smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1CCO[C@H]2CN(c3ncnc4c3CC[NH2+]CC4)C[C@@H]21 ZINC001164666292 719370600 /nfs/dbraw/zinc/37/06/00/719370600.db2.gz DRBVEVYVRLBQCL-KBPBESRZSA-N 2 1 289.383 -0.316 20 0 CBADMP C[N@H+]1CCO[C@@H]2CN(c3cc(C4C[NH2+]C4)ncn3)C[C@H]21 ZINC001164667085 719489998 /nfs/dbraw/zinc/48/99/98/719489998.db2.gz ISSWOHCDZNXEAV-CHWSQXEVSA-N 2 1 275.356 -0.317 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001076569010 805579815 /nfs/dbraw/zinc/57/98/15/805579815.db2.gz GPFSUCSLKSZNIJ-YNEHKIRRSA-N 2 1 267.373 -0.537 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001076569010 805579823 /nfs/dbraw/zinc/57/98/23/805579823.db2.gz GPFSUCSLKSZNIJ-YNEHKIRRSA-N 2 1 267.373 -0.537 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001076569010 805579828 /nfs/dbraw/zinc/57/98/28/805579828.db2.gz GPFSUCSLKSZNIJ-YNEHKIRRSA-N 2 1 267.373 -0.537 20 0 CBADMP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805692 805628366 /nfs/dbraw/zinc/62/83/66/805628366.db2.gz QPXZTPKDPSDEJG-FRRDWIJNSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805692 805628373 /nfs/dbraw/zinc/62/83/73/805628373.db2.gz QPXZTPKDPSDEJG-FRRDWIJNSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001076805692 805628379 /nfs/dbraw/zinc/62/83/79/805628379.db2.gz QPXZTPKDPSDEJG-FRRDWIJNSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076805692 805628385 /nfs/dbraw/zinc/62/83/85/805628385.db2.gz QPXZTPKDPSDEJG-FRRDWIJNSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076838953 805637250 /nfs/dbraw/zinc/63/72/50/805637250.db2.gz UIAXSTITFZBZRY-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838953 805637244 /nfs/dbraw/zinc/63/72/44/805637244.db2.gz UIAXSTITFZBZRY-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838953 805637245 /nfs/dbraw/zinc/63/72/45/805637245.db2.gz UIAXSTITFZBZRY-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076838953 805637248 /nfs/dbraw/zinc/63/72/48/805637248.db2.gz UIAXSTITFZBZRY-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP NC(=O)NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072943 790376656 /nfs/dbraw/zinc/37/66/56/790376656.db2.gz DZXNCPTYBYQPKL-UHFFFAOYSA-N 2 1 258.322 -0.989 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C2([NH3+])CCC2)CC1 ZINC000147663806 790398429 /nfs/dbraw/zinc/39/84/29/790398429.db2.gz BNAVYYIFBNXUIH-UHFFFAOYSA-N 2 1 268.361 -0.806 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000300259394 790468784 /nfs/dbraw/zinc/46/87/84/790468784.db2.gz JWDYJDHLHQMLLI-RWMBFGLXSA-N 2 1 260.378 -0.073 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000300259396 790469310 /nfs/dbraw/zinc/46/93/10/790469310.db2.gz JWDYJDHLHQMLLI-YNEHKIRRSA-N 2 1 260.378 -0.073 20 0 CBADMP C[NH+]1CCN(c2ncc(C[NH2+]CCCO)cn2)CC1 ZINC000305034899 790471619 /nfs/dbraw/zinc/47/16/19/790471619.db2.gz BDSAKLYOJPHOJN-UHFFFAOYSA-N 2 1 265.361 -0.300 20 0 CBADMP NC(=O)c1ccc(NCC[NH+]2CCC([NH3+])CC2)nn1 ZINC000321367234 790486249 /nfs/dbraw/zinc/48/62/49/790486249.db2.gz OHVPBVJWCDBRNS-UHFFFAOYSA-N 2 1 264.333 -0.590 20 0 CBADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000381001083 790515315 /nfs/dbraw/zinc/51/53/15/790515315.db2.gz LBRHXEBMBMITPP-CABCVRRESA-N 3 1 282.432 -0.577 20 0 CBADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000381001083 790515324 /nfs/dbraw/zinc/51/53/24/790515324.db2.gz LBRHXEBMBMITPP-CABCVRRESA-N 3 1 282.432 -0.577 20 0 CBADMP O[C@@H](CN1CCCC1)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000381001083 790515329 /nfs/dbraw/zinc/51/53/29/790515329.db2.gz LBRHXEBMBMITPP-CABCVRRESA-N 2 1 282.432 -0.577 20 0 CBADMP O[C@@H](CN1CCCC1)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000381001083 790515332 /nfs/dbraw/zinc/51/53/32/790515332.db2.gz LBRHXEBMBMITPP-CABCVRRESA-N 2 1 282.432 -0.577 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C[C@@H](O)C[N@@H+](C)CCOC ZINC000381340205 790518687 /nfs/dbraw/zinc/51/86/87/790518687.db2.gz KJTSVJQOXIBTSX-STQMWFEESA-N 2 1 259.394 -0.391 20 0 CBADMP CC[N@H+](CCC[NH+](C)C)C[C@@H](O)CN1CCOCC1 ZINC000382160295 790524291 /nfs/dbraw/zinc/52/42/91/790524291.db2.gz CHJPDBHSGONFLR-CQSZACIVSA-N 2 1 273.421 -0.047 20 0 CBADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H](O)CN1CCOCC1 ZINC000382160295 790524303 /nfs/dbraw/zinc/52/43/03/790524303.db2.gz CHJPDBHSGONFLR-CQSZACIVSA-N 2 1 273.421 -0.047 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000385236892 790539264 /nfs/dbraw/zinc/53/92/64/790539264.db2.gz JXPIOLKNQUQFJD-STQMWFEESA-N 2 1 259.394 -0.404 20 0 CBADMP COCC(COC)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000384956353 790540154 /nfs/dbraw/zinc/54/01/54/790540154.db2.gz MPYTXAKIHWIYDC-GFCCVEGCSA-N 2 1 257.378 -0.373 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000385236889 790541088 /nfs/dbraw/zinc/54/10/88/790541088.db2.gz JXPIOLKNQUQFJD-CHWSQXEVSA-N 2 1 259.394 -0.404 20 0 CBADMP CC[N@H+](CCOCCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000385455058 790542668 /nfs/dbraw/zinc/54/26/68/790542668.db2.gz BNPUJSFTMKXHIV-CYBMUJFWSA-N 2 1 260.378 -0.226 20 0 CBADMP CC[N@@H+](CCOCCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000385455058 790542678 /nfs/dbraw/zinc/54/26/78/790542678.db2.gz BNPUJSFTMKXHIV-CYBMUJFWSA-N 2 1 260.378 -0.226 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000386169631 790544556 /nfs/dbraw/zinc/54/45/56/790544556.db2.gz CXEPAYXEZHTMIF-KGLIPLIRSA-N 2 1 298.431 -0.770 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000386169631 790544564 /nfs/dbraw/zinc/54/45/64/790544564.db2.gz CXEPAYXEZHTMIF-KGLIPLIRSA-N 2 1 298.431 -0.770 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000386169631 790544576 /nfs/dbraw/zinc/54/45/76/790544576.db2.gz CXEPAYXEZHTMIF-KGLIPLIRSA-N 2 1 298.431 -0.770 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000386169631 790544581 /nfs/dbraw/zinc/54/45/81/790544581.db2.gz CXEPAYXEZHTMIF-KGLIPLIRSA-N 2 1 298.431 -0.770 20 0 CBADMP CCN(C[C@H](O)C[N@@H+](C)CCOC)[C@H]1CC[NH2+]C1 ZINC000386479997 790548006 /nfs/dbraw/zinc/54/80/06/790548006.db2.gz VXAUFNSPTZRPPM-QWHCGFSZSA-N 2 1 259.394 -0.391 20 0 CBADMP CCN(C[C@@H](O)C[N@@H+](C)CCOC)[C@H]1CC[NH2+]C1 ZINC000386479999 790548328 /nfs/dbraw/zinc/54/83/28/790548328.db2.gz VXAUFNSPTZRPPM-STQMWFEESA-N 2 1 259.394 -0.391 20 0 CBADMP [NH3+][C@H](CC(F)F)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000388339988 790556128 /nfs/dbraw/zinc/55/61/28/790556128.db2.gz WRQZBCRFJZLZQM-OPRDCNLKSA-N 2 1 277.315 -0.052 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(S(=O)(=O)C3C[NH2+]C3)CC[C@@H]21 ZINC000405163643 790615586 /nfs/dbraw/zinc/61/55/86/790615586.db2.gz ZYZSPHHFQORBLW-JQWIXIFHSA-N 2 1 273.402 -0.296 20 0 CBADMP C[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C[C@H]1C[NH3+] ZINC000695129197 790689758 /nfs/dbraw/zinc/68/97/58/790689758.db2.gz GYJLQTZCOAFVPA-VXGBXAGGSA-N 2 1 275.418 -0.061 20 0 CBADMP C[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1C[NH3+] ZINC000695129197 790689764 /nfs/dbraw/zinc/68/97/64/790689764.db2.gz GYJLQTZCOAFVPA-VXGBXAGGSA-N 2 1 275.418 -0.061 20 0 CBADMP [NH3+]CCCC[NH+]1CCN(C2CCS(=O)(=O)CC2)CC1 ZINC000701639321 790719863 /nfs/dbraw/zinc/71/98/63/790719863.db2.gz XYDXCZYOKOAABR-UHFFFAOYSA-N 2 1 289.445 -0.080 20 0 CBADMP COCC[NH2+]CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702337226 790722344 /nfs/dbraw/zinc/72/23/44/790722344.db2.gz KXYJNTUXEBZYKG-WCQYABFASA-N 2 1 255.362 -0.368 20 0 CBADMP CC(C)COC[C@@H](O)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702571154 790722792 /nfs/dbraw/zinc/72/27/92/790722792.db2.gz WLMXCYYAYJWYRA-STQMWFEESA-N 2 1 260.378 -0.324 20 0 CBADMP CN(C)S(=O)(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709313621 790736836 /nfs/dbraw/zinc/73/68/36/790736836.db2.gz BKQJQDUVLVQVNV-ZACCUICWSA-N 2 1 261.391 -0.250 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000709896520 790738463 /nfs/dbraw/zinc/73/84/63/790738463.db2.gz HVMABNBIRNRUNL-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H](CO)C1 ZINC000711054219 790743623 /nfs/dbraw/zinc/74/36/23/790743623.db2.gz PESLBHZFCWTKTN-IJLUTSLNSA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H](CO)C1 ZINC000711054219 790743627 /nfs/dbraw/zinc/74/36/27/790743627.db2.gz PESLBHZFCWTKTN-IJLUTSLNSA-N 2 1 255.362 -0.361 20 0 CBADMP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000711246700 790745478 /nfs/dbraw/zinc/74/54/78/790745478.db2.gz AMCKYJJQLPVUTD-QWHCGFSZSA-N 2 1 280.416 -0.262 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)c2c(C[NH3+])cnn2C)CC[N@H+]1C ZINC000719410860 790759546 /nfs/dbraw/zinc/75/95/46/790759546.db2.gz RPILOUGYNOHBIJ-SCZZXKLOSA-N 2 1 251.334 -0.299 20 0 CBADMP Cn1ncc(C[NH3+])c1C(=O)NCCC[NH+]1CCOCC1 ZINC000719235828 790760948 /nfs/dbraw/zinc/76/09/48/790760948.db2.gz XXTUSZZSVCYXEC-UHFFFAOYSA-N 2 1 281.360 -0.669 20 0 CBADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514014 790765810 /nfs/dbraw/zinc/76/58/10/790765810.db2.gz SMMDJDAQNPJWNI-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CN1CC[NH2+]CC1 ZINC000720892983 790771971 /nfs/dbraw/zinc/77/19/71/790771971.db2.gz ABCSAGLBUUDWTH-OLZOCXBDSA-N 2 1 266.389 -0.413 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000720830993 790772115 /nfs/dbraw/zinc/77/21/15/790772115.db2.gz URRXMHDVRWSSAK-NEPJUHHUSA-N 2 1 259.394 -0.405 20 0 CBADMP COCC[N@H+](C)CCNC(=O)c1ncoc1C[NH3+] ZINC000721428494 790778846 /nfs/dbraw/zinc/77/88/46/790778846.db2.gz QDKCVJKGWVZHBB-UHFFFAOYSA-N 2 1 256.306 -0.559 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)c1ncoc1C[NH3+] ZINC000721428494 790778851 /nfs/dbraw/zinc/77/88/51/790778851.db2.gz QDKCVJKGWVZHBB-UHFFFAOYSA-N 2 1 256.306 -0.559 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000720905579 790774683 /nfs/dbraw/zinc/77/46/83/790774683.db2.gz DJTAGSOKGNHCDT-IRCOFANPSA-N 2 1 253.346 -0.202 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723886568 790801107 /nfs/dbraw/zinc/80/11/07/790801107.db2.gz LDIFCYQEMDZVFF-KXUCPTDWSA-N 2 1 256.350 -0.253 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)CCCO1 ZINC000724591490 790807736 /nfs/dbraw/zinc/80/77/36/790807736.db2.gz PFKLLMUHUGTJEG-WUHRBBMRSA-N 2 1 256.346 -0.160 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)CCCO1 ZINC000724591490 790807725 /nfs/dbraw/zinc/80/77/25/790807725.db2.gz PFKLLMUHUGTJEG-WUHRBBMRSA-N 2 1 256.346 -0.160 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723908880 790803319 /nfs/dbraw/zinc/80/33/19/790803319.db2.gz LDIFCYQEMDZVFF-OPRDCNLKSA-N 2 1 256.350 -0.253 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC1 ZINC000724577234 790807921 /nfs/dbraw/zinc/80/79/21/790807921.db2.gz NZHYFARWVQWGTC-ZZVYKPCYSA-N 2 1 270.373 -0.165 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC1 ZINC000724577234 790807936 /nfs/dbraw/zinc/80/79/36/790807936.db2.gz NZHYFARWVQWGTC-ZZVYKPCYSA-N 2 1 270.373 -0.165 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724575827 790808498 /nfs/dbraw/zinc/80/84/98/790808498.db2.gz CRROBYUNIWRMEE-RDBSUJKOSA-N 2 1 269.389 -0.373 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000822123806 790832005 /nfs/dbraw/zinc/83/20/05/790832005.db2.gz FMATYRMMVBNEFM-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)C12CC(C1)C[NH2+]2 ZINC000822184764 790833875 /nfs/dbraw/zinc/83/38/75/790833875.db2.gz IHEJOORLWVSYNF-UHFFFAOYSA-N 2 1 255.387 -0.097 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000923526155 790922906 /nfs/dbraw/zinc/92/29/06/790922906.db2.gz BRWXVZPNMQNQSJ-GFCCVEGCSA-N 2 1 271.361 -0.079 20 0 CBADMP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC001021904761 790969280 /nfs/dbraw/zinc/96/92/80/790969280.db2.gz CLDPZTYMWPRUDL-RNJOBUHISA-N 2 1 294.399 -0.452 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022166015 790995119 /nfs/dbraw/zinc/99/51/19/790995119.db2.gz JTWZBLWVSHGZBT-TUAOUCFPSA-N 2 1 282.388 -0.417 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022195941 790995225 /nfs/dbraw/zinc/99/52/25/790995225.db2.gz JWENYHUIZDJXBP-RWMBFGLXSA-N 2 1 296.415 -0.314 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001022277475 791001414 /nfs/dbraw/zinc/00/14/14/791001414.db2.gz ANVGSNPIDCSWSI-YVECIDJPSA-N 2 1 294.399 -0.275 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001022291934 791003004 /nfs/dbraw/zinc/00/30/04/791003004.db2.gz IAOIWVBUCNDQOB-RNJOBUHISA-N 2 1 296.415 -0.029 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022593782 791029724 /nfs/dbraw/zinc/02/97/24/791029724.db2.gz POSZAXWCUDNUHH-XQQFMLRXSA-N 2 1 285.388 -0.675 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022593782 791029737 /nfs/dbraw/zinc/02/97/37/791029737.db2.gz POSZAXWCUDNUHH-XQQFMLRXSA-N 2 1 285.388 -0.675 20 0 CBADMP 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 791029803 /nfs/dbraw/zinc/02/98/03/791029803.db2.gz FZCKOORZZIMCKC-FPYNETTCSA-N 2 1 296.415 -0.173 20 0 CBADMP 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 791029178 /nfs/dbraw/zinc/02/91/78/791029178.db2.gz FZCKOORZZIMCKC-PJSNJIKXSA-N 2 1 296.415 -0.173 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001022593123 791029585 /nfs/dbraw/zinc/02/95/85/791029585.db2.gz IHSUQOZZMOVWST-IGQOVBAYSA-N 2 1 299.415 -0.287 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001022593123 791029595 /nfs/dbraw/zinc/02/95/95/791029595.db2.gz IHSUQOZZMOVWST-IGQOVBAYSA-N 2 1 299.415 -0.287 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022712943 791040119 /nfs/dbraw/zinc/04/01/19/791040119.db2.gz DJMIOVXUAHXKJE-UTUOFQBUSA-N 2 1 255.362 -0.443 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022717169 791041160 /nfs/dbraw/zinc/04/11/60/791041160.db2.gz RRFGRQKQTAFYMZ-WYUUTHIRSA-N 2 1 255.362 -0.587 20 0 CBADMP C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001022714524 791041796 /nfs/dbraw/zinc/04/17/96/791041796.db2.gz WFBQWJIXQBHJQS-FIQHERPVSA-N 2 1 282.388 -0.561 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077003987 805671863 /nfs/dbraw/zinc/67/18/63/805671863.db2.gz IHPDKUGLHVIEOJ-BFHYXJOUSA-N 2 1 281.400 -0.101 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001077090888 805683257 /nfs/dbraw/zinc/68/32/57/805683257.db2.gz DLFUTCGHDJROGT-MGPQQGTHSA-N 2 1 299.415 -0.596 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001077090888 805683264 /nfs/dbraw/zinc/68/32/64/805683264.db2.gz DLFUTCGHDJROGT-MGPQQGTHSA-N 2 1 299.415 -0.596 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077090888 805683268 /nfs/dbraw/zinc/68/32/68/805683268.db2.gz DLFUTCGHDJROGT-MGPQQGTHSA-N 2 1 299.415 -0.596 20 0 CBADMP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077221092 805700876 /nfs/dbraw/zinc/70/08/76/805700876.db2.gz AILKIBIWEJNFQI-AAVRWANBSA-N 2 1 299.415 -0.333 20 0 CBADMP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077221092 805700880 /nfs/dbraw/zinc/70/08/80/805700880.db2.gz AILKIBIWEJNFQI-AAVRWANBSA-N 2 1 299.415 -0.333 20 0 CBADMP CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001077221092 805700887 /nfs/dbraw/zinc/70/08/87/805700887.db2.gz AILKIBIWEJNFQI-AAVRWANBSA-N 2 1 299.415 -0.333 20 0 CBADMP CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001077221092 805700894 /nfs/dbraw/zinc/70/08/94/805700894.db2.gz AILKIBIWEJNFQI-AAVRWANBSA-N 2 1 299.415 -0.333 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077221706 805702144 /nfs/dbraw/zinc/70/21/44/805702144.db2.gz YKDIKPSEMLGKLB-FDYHWXHSSA-N 2 1 285.388 -0.725 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077221706 805702148 /nfs/dbraw/zinc/70/21/48/805702148.db2.gz YKDIKPSEMLGKLB-FDYHWXHSSA-N 2 1 285.388 -0.725 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001077221706 805702151 /nfs/dbraw/zinc/70/21/51/805702151.db2.gz YKDIKPSEMLGKLB-FDYHWXHSSA-N 2 1 285.388 -0.725 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001077221706 805702155 /nfs/dbraw/zinc/70/21/55/805702155.db2.gz YKDIKPSEMLGKLB-FDYHWXHSSA-N 2 1 285.388 -0.725 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299441 805716333 /nfs/dbraw/zinc/71/63/33/805716333.db2.gz BOERBISTHMEFOK-YNEHKIRRSA-N 2 1 297.399 -0.843 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299441 805716336 /nfs/dbraw/zinc/71/63/36/805716336.db2.gz BOERBISTHMEFOK-YNEHKIRRSA-N 2 1 297.399 -0.843 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001077394770 805724960 /nfs/dbraw/zinc/72/49/60/805724960.db2.gz CMKJLRONSGMALX-CHWSQXEVSA-N 2 1 278.356 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001077394770 805724967 /nfs/dbraw/zinc/72/49/67/805724967.db2.gz CMKJLRONSGMALX-CHWSQXEVSA-N 2 1 278.356 -0.237 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077572698 805751207 /nfs/dbraw/zinc/75/12/07/805751207.db2.gz IXYMGYQWOAIDLJ-WUHRBBMRSA-N 2 1 269.389 -0.102 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001077572698 805751209 /nfs/dbraw/zinc/75/12/09/805751209.db2.gz IXYMGYQWOAIDLJ-WUHRBBMRSA-N 2 1 269.389 -0.102 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001077572698 805751214 /nfs/dbraw/zinc/75/12/14/805751214.db2.gz IXYMGYQWOAIDLJ-WUHRBBMRSA-N 2 1 269.389 -0.102 20 0 CBADMP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077583926 805751898 /nfs/dbraw/zinc/75/18/98/805751898.db2.gz UGQLCWXACXGKOS-MRVWCRGKSA-N 2 1 292.383 -0.065 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077583926 805751904 /nfs/dbraw/zinc/75/19/04/805751904.db2.gz UGQLCWXACXGKOS-MRVWCRGKSA-N 2 1 292.383 -0.065 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618251 805757065 /nfs/dbraw/zinc/75/70/65/805757065.db2.gz CZEOVENHFKDSST-IACUBPJLSA-N 2 1 299.415 -0.476 20 0 CBADMP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1cscn1 ZINC001147894043 814924971 /nfs/dbraw/zinc/92/49/71/814924971.db2.gz ZCNWKRDGIUOURN-UHFFFAOYSA-N 2 1 286.401 -0.073 20 0 CBADMP CN1CC[C@@H]([NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001147892967 814925005 /nfs/dbraw/zinc/92/50/05/814925005.db2.gz MMZJAJAZYMJEGG-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CCn1ccc(C[NH2+]CCNC(=O)COCC[NH+](C)C)n1 ZINC001147886394 814925365 /nfs/dbraw/zinc/92/53/65/814925365.db2.gz WACFPBMMLVIZFX-UHFFFAOYSA-N 2 1 297.403 -0.313 20 0 CBADMP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077892985 805803335 /nfs/dbraw/zinc/80/33/35/805803335.db2.gz UHXVBBXHCSARRY-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077892985 805803343 /nfs/dbraw/zinc/80/33/43/805803343.db2.gz UHXVBBXHCSARRY-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011949 805821222 /nfs/dbraw/zinc/82/12/22/805821222.db2.gz OWIAIABQPMMKGX-YNEHKIRRSA-N 2 1 297.399 -0.722 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013294 805822030 /nfs/dbraw/zinc/82/20/30/805822030.db2.gz ZYDKOASXFSNDPL-CHWSQXEVSA-N 2 1 279.384 -0.347 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078008641 805822113 /nfs/dbraw/zinc/82/21/13/805822113.db2.gz OLCVVOHTPUSXRJ-YNEHKIRRSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078008641 805822124 /nfs/dbraw/zinc/82/21/24/805822124.db2.gz OLCVVOHTPUSXRJ-YNEHKIRRSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078008641 805822133 /nfs/dbraw/zinc/82/21/33/805822133.db2.gz OLCVVOHTPUSXRJ-YNEHKIRRSA-N 2 1 269.389 -0.101 20 0 CBADMP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175376 805851049 /nfs/dbraw/zinc/85/10/49/805851049.db2.gz YLVXEMLSZOUZOZ-YNEHKIRRSA-N 2 1 269.389 -0.101 20 0 CBADMP CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078175376 805851056 /nfs/dbraw/zinc/85/10/56/805851056.db2.gz YLVXEMLSZOUZOZ-YNEHKIRRSA-N 2 1 269.389 -0.101 20 0 CBADMP CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078175376 805851064 /nfs/dbraw/zinc/85/10/64/805851064.db2.gz YLVXEMLSZOUZOZ-YNEHKIRRSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)OC ZINC001078180043 805852317 /nfs/dbraw/zinc/85/23/17/805852317.db2.gz KNJKQGLTLIYMDV-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)OC ZINC001078180043 805852325 /nfs/dbraw/zinc/85/23/25/805852325.db2.gz KNJKQGLTLIYMDV-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001078209203 805860575 /nfs/dbraw/zinc/86/05/75/805860575.db2.gz DDKMJJZKZPAVFY-MCIONIFRSA-N 2 1 297.399 -0.722 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001078209203 805860584 /nfs/dbraw/zinc/86/05/84/805860584.db2.gz DDKMJJZKZPAVFY-MCIONIFRSA-N 2 1 297.399 -0.722 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)C1 ZINC001078209203 805860594 /nfs/dbraw/zinc/86/05/94/805860594.db2.gz DDKMJJZKZPAVFY-MCIONIFRSA-N 2 1 297.399 -0.722 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)C1 ZINC001078209203 805860603 /nfs/dbraw/zinc/86/06/03/805860603.db2.gz DDKMJJZKZPAVFY-MCIONIFRSA-N 2 1 297.399 -0.722 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970614 814927576 /nfs/dbraw/zinc/92/75/76/814927576.db2.gz MWZYXODLPJZVLH-UHFFFAOYSA-N 2 1 278.360 -0.883 20 0 CBADMP COc1cc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)on1 ZINC001147977059 814927598 /nfs/dbraw/zinc/92/75/98/814927598.db2.gz HODVRAUSARJHKA-UHFFFAOYSA-N 2 1 294.355 -0.015 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080786485 806009493 /nfs/dbraw/zinc/00/94/93/806009493.db2.gz MZPLLKSWUDUPBM-VXGBXAGGSA-N 2 1 267.373 -0.489 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001080778835 806009563 /nfs/dbraw/zinc/00/95/63/806009563.db2.gz AHNPIITZDORGBD-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001080778835 806009572 /nfs/dbraw/zinc/00/95/72/806009572.db2.gz AHNPIITZDORGBD-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001080778835 806009582 /nfs/dbraw/zinc/00/95/82/806009582.db2.gz AHNPIITZDORGBD-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001080778835 806009592 /nfs/dbraw/zinc/00/95/92/806009592.db2.gz AHNPIITZDORGBD-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080935332 806017620 /nfs/dbraw/zinc/01/76/20/806017620.db2.gz QJIGZQJWTHBJIM-GRYCIOLGSA-N 2 1 282.388 -0.879 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080935332 806017628 /nfs/dbraw/zinc/01/76/28/806017628.db2.gz QJIGZQJWTHBJIM-GRYCIOLGSA-N 2 1 282.388 -0.879 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001080935332 806017636 /nfs/dbraw/zinc/01/76/36/806017636.db2.gz QJIGZQJWTHBJIM-GRYCIOLGSA-N 2 1 282.388 -0.879 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001080935332 806017639 /nfs/dbraw/zinc/01/76/39/806017639.db2.gz QJIGZQJWTHBJIM-GRYCIOLGSA-N 2 1 282.388 -0.879 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2C)C1 ZINC001080976637 806019658 /nfs/dbraw/zinc/01/96/58/806019658.db2.gz DJEZVYHZBIPQOR-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2C)C1 ZINC001080976637 806019668 /nfs/dbraw/zinc/01/96/68/806019668.db2.gz DJEZVYHZBIPQOR-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2C)C1 ZINC001080976637 806019674 /nfs/dbraw/zinc/01/96/74/806019674.db2.gz DJEZVYHZBIPQOR-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2C)C1 ZINC001080976637 806019684 /nfs/dbraw/zinc/01/96/84/806019684.db2.gz DJEZVYHZBIPQOR-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082096031 806145513 /nfs/dbraw/zinc/14/55/13/806145513.db2.gz VHDJXDWEQIZMLG-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082132643 806149486 /nfs/dbraw/zinc/14/94/86/806149486.db2.gz LODYCGIJXOMZEJ-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328980 806165460 /nfs/dbraw/zinc/16/54/60/806165460.db2.gz VEEADJRNPJLUIL-CHWSQXEVSA-N 2 1 297.399 -0.720 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326497 806165816 /nfs/dbraw/zinc/16/58/16/806165816.db2.gz GNWWBDLXCFULJT-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326497 806165821 /nfs/dbraw/zinc/16/58/21/806165821.db2.gz GNWWBDLXCFULJT-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326497 806165825 /nfs/dbraw/zinc/16/58/25/806165825.db2.gz GNWWBDLXCFULJT-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082459046 806180269 /nfs/dbraw/zinc/18/02/69/806180269.db2.gz JKJVQGZDGTXTHS-UTUOFQBUSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082459046 806180277 /nfs/dbraw/zinc/18/02/77/806180277.db2.gz JKJVQGZDGTXTHS-UTUOFQBUSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001082522463 806184633 /nfs/dbraw/zinc/18/46/33/806184633.db2.gz JREYHJRJAQNWIW-YVECIDJPSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082508345 806185069 /nfs/dbraw/zinc/18/50/69/806185069.db2.gz ZZWSVWLAZCFMPJ-UPJWGTAASA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082570210 806186125 /nfs/dbraw/zinc/18/61/25/806186125.db2.gz BYASOKSXYZMFFU-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082544567 806186219 /nfs/dbraw/zinc/18/62/19/806186219.db2.gz IVSHSIIQBNZASX-UPJWGTAASA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCO)C2)C1 ZINC001082703521 806191370 /nfs/dbraw/zinc/19/13/70/806191370.db2.gz ZKYJRYPBCZHCOG-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCO)C2)C1 ZINC001082703521 806191376 /nfs/dbraw/zinc/19/13/76/806191376.db2.gz ZKYJRYPBCZHCOG-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001082807527 806195683 /nfs/dbraw/zinc/19/56/83/806195683.db2.gz NHIDSVUWNGNWOW-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001083369198 806289928 /nfs/dbraw/zinc/28/99/28/806289928.db2.gz MQEVWBGDGBWBFX-AGIUHOORSA-N 2 1 267.373 -0.348 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001083369198 806289934 /nfs/dbraw/zinc/28/99/34/806289934.db2.gz MQEVWBGDGBWBFX-AGIUHOORSA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001083369198 806289941 /nfs/dbraw/zinc/28/99/41/806289941.db2.gz MQEVWBGDGBWBFX-AGIUHOORSA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001083369198 806289943 /nfs/dbraw/zinc/28/99/43/806289943.db2.gz MQEVWBGDGBWBFX-AGIUHOORSA-N 2 1 267.373 -0.348 20 0 CBADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385639 806297843 /nfs/dbraw/zinc/29/78/43/806297843.db2.gz UIAXSTITFZBZRY-HZSPNIEDSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385639 806297848 /nfs/dbraw/zinc/29/78/48/806297848.db2.gz UIAXSTITFZBZRY-HZSPNIEDSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385639 806297854 /nfs/dbraw/zinc/29/78/54/806297854.db2.gz UIAXSTITFZBZRY-HZSPNIEDSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385639 806297861 /nfs/dbraw/zinc/29/78/61/806297861.db2.gz UIAXSTITFZBZRY-HZSPNIEDSA-N 2 1 299.415 -0.476 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083471992 806335090 /nfs/dbraw/zinc/33/50/90/806335090.db2.gz AEMCODHOWBZWSY-LPWJVIDDSA-N 2 1 269.389 -0.102 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083471992 806335100 /nfs/dbraw/zinc/33/51/00/806335100.db2.gz AEMCODHOWBZWSY-LPWJVIDDSA-N 2 1 269.389 -0.102 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083471992 806335109 /nfs/dbraw/zinc/33/51/09/806335109.db2.gz AEMCODHOWBZWSY-LPWJVIDDSA-N 2 1 269.389 -0.102 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563401 806367927 /nfs/dbraw/zinc/36/79/27/806367927.db2.gz NSRLHPKSPWPZJS-OLZOCXBDSA-N 2 1 297.399 -0.984 20 0 CBADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563401 806367937 /nfs/dbraw/zinc/36/79/37/806367937.db2.gz NSRLHPKSPWPZJS-OLZOCXBDSA-N 2 1 297.399 -0.984 20 0 CBADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083594153 806377545 /nfs/dbraw/zinc/37/75/45/806377545.db2.gz OMGHVUZCNASFLB-MCIONIFRSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083594153 806377555 /nfs/dbraw/zinc/37/75/55/806377555.db2.gz OMGHVUZCNASFLB-MCIONIFRSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083594153 806377565 /nfs/dbraw/zinc/37/75/65/806377565.db2.gz OMGHVUZCNASFLB-MCIONIFRSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083594153 806377574 /nfs/dbraw/zinc/37/75/74/806377574.db2.gz OMGHVUZCNASFLB-MCIONIFRSA-N 2 1 299.415 -0.740 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083645816 806392560 /nfs/dbraw/zinc/39/25/60/806392560.db2.gz VUPSNDFOZVENDZ-NEPJUHHUSA-N 2 1 284.335 -0.288 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001083645816 806392569 /nfs/dbraw/zinc/39/25/69/806392569.db2.gz VUPSNDFOZVENDZ-NEPJUHHUSA-N 2 1 284.335 -0.288 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655060 806392630 /nfs/dbraw/zinc/39/26/30/806392630.db2.gz STIAPRISODZIJJ-NRYGQCTKSA-N 2 1 295.383 -0.969 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655060 806392639 /nfs/dbraw/zinc/39/26/39/806392639.db2.gz STIAPRISODZIJJ-NRYGQCTKSA-N 2 1 295.383 -0.969 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655060 806392647 /nfs/dbraw/zinc/39/26/47/806392647.db2.gz STIAPRISODZIJJ-NRYGQCTKSA-N 2 1 295.383 -0.969 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781464 806431625 /nfs/dbraw/zinc/43/16/25/806431625.db2.gz IQHVROLUYNUENO-TUAOUCFPSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781464 806431631 /nfs/dbraw/zinc/43/16/31/806431631.db2.gz IQHVROLUYNUENO-TUAOUCFPSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781464 806431636 /nfs/dbraw/zinc/43/16/36/806431636.db2.gz IQHVROLUYNUENO-TUAOUCFPSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083779326 806432312 /nfs/dbraw/zinc/43/23/12/806432312.db2.gz WPOMACMLOBNKPT-XQQFMLRXSA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083779326 806432317 /nfs/dbraw/zinc/43/23/17/806432317.db2.gz WPOMACMLOBNKPT-XQQFMLRXSA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083779326 806432321 /nfs/dbraw/zinc/43/23/21/806432321.db2.gz WPOMACMLOBNKPT-XQQFMLRXSA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831269 806442291 /nfs/dbraw/zinc/44/22/91/806442291.db2.gz DZLLOXKEHGRJOX-MCIONIFRSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831269 806442296 /nfs/dbraw/zinc/44/22/96/806442296.db2.gz DZLLOXKEHGRJOX-MCIONIFRSA-N 2 1 299.415 -0.596 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954919 806468026 /nfs/dbraw/zinc/46/80/26/806468026.db2.gz OLCVVOHTPUSXRJ-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083954919 806468029 /nfs/dbraw/zinc/46/80/29/806468029.db2.gz OLCVVOHTPUSXRJ-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083954919 806468032 /nfs/dbraw/zinc/46/80/32/806468032.db2.gz OLCVVOHTPUSXRJ-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959059 806471083 /nfs/dbraw/zinc/47/10/83/806471083.db2.gz CPDJPPICVSDLAS-XQQFMLRXSA-N 2 1 299.390 -0.008 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056716 806481981 /nfs/dbraw/zinc/48/19/81/806481981.db2.gz KXHDXVNQUDJTDB-UTUOFQBUSA-N 2 1 255.362 -0.491 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084056716 806481983 /nfs/dbraw/zinc/48/19/83/806481983.db2.gz KXHDXVNQUDJTDB-UTUOFQBUSA-N 2 1 255.362 -0.491 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084056716 806481989 /nfs/dbraw/zinc/48/19/89/806481989.db2.gz KXHDXVNQUDJTDB-UTUOFQBUSA-N 2 1 255.362 -0.491 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057659 806484404 /nfs/dbraw/zinc/48/44/04/806484404.db2.gz VNOOKIBYKZYJFI-XQQFMLRXSA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057659 806484408 /nfs/dbraw/zinc/48/44/08/806484408.db2.gz VNOOKIBYKZYJFI-XQQFMLRXSA-N 2 1 285.388 -0.722 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCO)C[C@H]21 ZINC001084231586 806502786 /nfs/dbraw/zinc/50/27/86/806502786.db2.gz FBAYUPXHQASZMW-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084231586 806502798 /nfs/dbraw/zinc/50/27/98/806502798.db2.gz FBAYUPXHQASZMW-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001084231586 806502805 /nfs/dbraw/zinc/50/28/05/806502805.db2.gz FBAYUPXHQASZMW-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)CC1 ZINC001084630710 806530473 /nfs/dbraw/zinc/53/04/73/806530473.db2.gz RFBWBSIWBJRJQY-ZIAGYGMSSA-N 2 1 281.400 -0.147 20 0 CBADMP CNC(=O)CN1CC[C@@H]2CN(C(=O)CN3CCCC3)[C@@H]2C1 ZINC001084831589 806539465 /nfs/dbraw/zinc/53/94/65/806539465.db2.gz RLXPQAKTMLVEEH-CHWSQXEVSA-N 2 1 294.399 -0.639 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001085928141 806625592 /nfs/dbraw/zinc/62/55/92/806625592.db2.gz PHMMXIPYSLXLRZ-GFCCVEGCSA-N 2 1 267.373 -0.393 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085972965 806627492 /nfs/dbraw/zinc/62/74/92/806627492.db2.gz LSFCJXLINIARRO-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085972965 806627497 /nfs/dbraw/zinc/62/74/97/806627497.db2.gz LSFCJXLINIARRO-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085972965 806627503 /nfs/dbraw/zinc/62/75/03/806627503.db2.gz LSFCJXLINIARRO-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCO)C1 ZINC001085980063 806628933 /nfs/dbraw/zinc/62/89/33/806628933.db2.gz IJFXHBXKCYNQFW-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCO)C1 ZINC001085980063 806628938 /nfs/dbraw/zinc/62/89/38/806628938.db2.gz IJFXHBXKCYNQFW-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCCO)C1 ZINC001085980063 806628942 /nfs/dbraw/zinc/62/89/42/806628942.db2.gz IJFXHBXKCYNQFW-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCCO)C1 ZINC001085980063 806628948 /nfs/dbraw/zinc/62/89/48/806628948.db2.gz IJFXHBXKCYNQFW-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086052507 806640221 /nfs/dbraw/zinc/64/02/21/806640221.db2.gz MQKNFSISLPDFFQ-WUHRBBMRSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086052507 806640229 /nfs/dbraw/zinc/64/02/29/806640229.db2.gz MQKNFSISLPDFFQ-WUHRBBMRSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001022975560 798870329 /nfs/dbraw/zinc/87/03/29/798870329.db2.gz ONBONZNHHJROPQ-KKOKHZNYSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001022975867 798870834 /nfs/dbraw/zinc/87/08/34/798870834.db2.gz VYCJSWIYMWPGRM-QNWHQSFQSA-N 2 1 269.389 -0.054 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001023084113 798879670 /nfs/dbraw/zinc/87/96/70/798879670.db2.gz JCNCGSLAIMMCNO-WYUUTHIRSA-N 2 1 280.372 -0.937 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001023084111 798879983 /nfs/dbraw/zinc/87/99/83/798879983.db2.gz JCNCGSLAIMMCNO-NNYUYHANSA-N 2 1 280.372 -0.937 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001023090866 798881200 /nfs/dbraw/zinc/88/12/00/798881200.db2.gz AIFFBTLIZWWOLG-IEBDPFPHSA-N 2 1 279.344 -0.698 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001023273148 798895105 /nfs/dbraw/zinc/89/51/05/798895105.db2.gz JSDAQGGZSANTSP-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001023273148 798895113 /nfs/dbraw/zinc/89/51/13/798895113.db2.gz JSDAQGGZSANTSP-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001023273148 798895124 /nfs/dbraw/zinc/89/51/24/798895124.db2.gz JSDAQGGZSANTSP-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001023292160 798898630 /nfs/dbraw/zinc/89/86/30/798898630.db2.gz QNDANFDXLTUBDZ-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001023292160 798898636 /nfs/dbraw/zinc/89/86/36/798898636.db2.gz QNDANFDXLTUBDZ-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001023292160 798898637 /nfs/dbraw/zinc/89/86/37/798898637.db2.gz QNDANFDXLTUBDZ-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001023292160 798898642 /nfs/dbraw/zinc/89/86/42/798898642.db2.gz QNDANFDXLTUBDZ-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001023445739 798906134 /nfs/dbraw/zinc/90/61/34/798906134.db2.gz ADERGRZEUKPENL-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001023445739 798906141 /nfs/dbraw/zinc/90/61/41/798906141.db2.gz ADERGRZEUKPENL-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001023445739 798906145 /nfs/dbraw/zinc/90/61/45/798906145.db2.gz ADERGRZEUKPENL-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001023445739 798906154 /nfs/dbraw/zinc/90/61/54/798906154.db2.gz ADERGRZEUKPENL-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001023747009 798919531 /nfs/dbraw/zinc/91/95/31/798919531.db2.gz XZESKNYMUJNFHP-NWDGAFQWSA-N 2 1 282.388 -0.748 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001023747009 798919538 /nfs/dbraw/zinc/91/95/38/798919538.db2.gz XZESKNYMUJNFHP-NWDGAFQWSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001023747009 798919543 /nfs/dbraw/zinc/91/95/43/798919543.db2.gz XZESKNYMUJNFHP-NWDGAFQWSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001023747009 798919548 /nfs/dbraw/zinc/91/95/48/798919548.db2.gz XZESKNYMUJNFHP-NWDGAFQWSA-N 2 1 282.388 -0.748 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001023750840 798921616 /nfs/dbraw/zinc/92/16/16/798921616.db2.gz XZMNTTHZTQGJIA-STQMWFEESA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001023750840 798921618 /nfs/dbraw/zinc/92/16/18/798921618.db2.gz XZMNTTHZTQGJIA-STQMWFEESA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001023750840 798921620 /nfs/dbraw/zinc/92/16/20/798921620.db2.gz XZMNTTHZTQGJIA-STQMWFEESA-N 2 1 269.389 -0.241 20 0 CBADMP COCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024375295 798934155 /nfs/dbraw/zinc/93/41/55/798934155.db2.gz QLWLSRYXPWCTOO-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024375295 798934158 /nfs/dbraw/zinc/93/41/58/798934158.db2.gz QLWLSRYXPWCTOO-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001024375295 798934160 /nfs/dbraw/zinc/93/41/60/798934160.db2.gz QLWLSRYXPWCTOO-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001024375295 798934162 /nfs/dbraw/zinc/93/41/62/798934162.db2.gz QLWLSRYXPWCTOO-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719405 798972137 /nfs/dbraw/zinc/97/21/37/798972137.db2.gz SFSXRFXHDQVYKG-ODXJTPSBSA-N 2 1 297.399 -0.602 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719405 798972139 /nfs/dbraw/zinc/97/21/39/798972139.db2.gz SFSXRFXHDQVYKG-ODXJTPSBSA-N 2 1 297.399 -0.602 20 0 CBADMP CO[C@@H](C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001025719405 798972145 /nfs/dbraw/zinc/97/21/45/798972145.db2.gz SFSXRFXHDQVYKG-ODXJTPSBSA-N 2 1 297.399 -0.602 20 0 CBADMP CO[C@@H](C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001025719405 798972149 /nfs/dbraw/zinc/97/21/49/798972149.db2.gz SFSXRFXHDQVYKG-ODXJTPSBSA-N 2 1 297.399 -0.602 20 0 CBADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025799043 798976338 /nfs/dbraw/zinc/97/63/38/798976338.db2.gz QLHFHQFOPFVXOK-DGTMBMJNSA-N 2 1 279.384 -0.084 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025799043 798976342 /nfs/dbraw/zinc/97/63/42/798976342.db2.gz QLHFHQFOPFVXOK-DGTMBMJNSA-N 2 1 279.384 -0.084 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025799043 798976346 /nfs/dbraw/zinc/97/63/46/798976346.db2.gz QLHFHQFOPFVXOK-DGTMBMJNSA-N 2 1 279.384 -0.084 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001025820383 798978402 /nfs/dbraw/zinc/97/84/02/798978402.db2.gz USFJTXULTKEBAN-BNDIWNMDSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001025820383 798978406 /nfs/dbraw/zinc/97/84/06/798978406.db2.gz USFJTXULTKEBAN-BNDIWNMDSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001025820383 798978410 /nfs/dbraw/zinc/97/84/10/798978410.db2.gz USFJTXULTKEBAN-BNDIWNMDSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001025820383 798978415 /nfs/dbraw/zinc/97/84/15/798978415.db2.gz USFJTXULTKEBAN-BNDIWNMDSA-N 2 1 294.399 -0.609 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001026044226 798988141 /nfs/dbraw/zinc/98/81/41/798988141.db2.gz MBJXVMGBKSBLJX-BJJPWKGXSA-N 2 1 281.400 -0.123 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001026044226 798988147 /nfs/dbraw/zinc/98/81/47/798988147.db2.gz MBJXVMGBKSBLJX-BJJPWKGXSA-N 2 1 281.400 -0.123 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001026044226 798988153 /nfs/dbraw/zinc/98/81/53/798988153.db2.gz MBJXVMGBKSBLJX-BJJPWKGXSA-N 2 1 281.400 -0.123 20 0 CBADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001026148585 798992603 /nfs/dbraw/zinc/99/26/03/798992603.db2.gz QTYILLLIEXFVLV-CYRTVHNOSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001026148585 798992609 /nfs/dbraw/zinc/99/26/09/798992609.db2.gz QTYILLLIEXFVLV-CYRTVHNOSA-N 2 1 294.399 -0.609 20 0 CBADMP 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 798993569 /nfs/dbraw/zinc/99/35/69/798993569.db2.gz VKQJEULRYFUBRC-OBPIAQAESA-N 2 1 294.399 -0.881 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001026145893 798993575 /nfs/dbraw/zinc/99/35/75/798993575.db2.gz VKQJEULRYFUBRC-OBPIAQAESA-N 2 1 294.399 -0.881 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001026145893 798993579 /nfs/dbraw/zinc/99/35/79/798993579.db2.gz VKQJEULRYFUBRC-OBPIAQAESA-N 2 1 294.399 -0.881 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026561313 799010002 /nfs/dbraw/zinc/01/00/02/799010002.db2.gz VOCYYHSOGQOHFW-HIFPTAJRSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001026749284 799020351 /nfs/dbraw/zinc/02/03/51/799020351.db2.gz DXHJVFGQHKZGHU-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001026749284 799020357 /nfs/dbraw/zinc/02/03/57/799020357.db2.gz DXHJVFGQHKZGHU-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027650987 799062419 /nfs/dbraw/zinc/06/24/19/799062419.db2.gz HJRORIKOXPAEAA-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681430 799063951 /nfs/dbraw/zinc/06/39/51/799063951.db2.gz WSQNWSIQPNTZFY-LBPRGKRZSA-N 2 1 282.388 -0.510 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681430 799063955 /nfs/dbraw/zinc/06/39/55/799063955.db2.gz WSQNWSIQPNTZFY-LBPRGKRZSA-N 2 1 282.388 -0.510 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681580 799064234 /nfs/dbraw/zinc/06/42/34/799064234.db2.gz YKFWNMMIMXGUCH-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680778 799064464 /nfs/dbraw/zinc/06/44/64/799064464.db2.gz JIAQLHQOOFUSRS-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680778 799064468 /nfs/dbraw/zinc/06/44/68/799064468.db2.gz JIAQLHQOOFUSRS-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027680778 799064472 /nfs/dbraw/zinc/06/44/72/799064472.db2.gz JIAQLHQOOFUSRS-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027680778 799064478 /nfs/dbraw/zinc/06/44/78/799064478.db2.gz JIAQLHQOOFUSRS-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680920 799064914 /nfs/dbraw/zinc/06/49/14/799064914.db2.gz LZRSJKAPGUBVPB-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027680920 799064921 /nfs/dbraw/zinc/06/49/21/799064921.db2.gz LZRSJKAPGUBVPB-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027680920 799064928 /nfs/dbraw/zinc/06/49/28/799064928.db2.gz LZRSJKAPGUBVPB-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027892048 799093502 /nfs/dbraw/zinc/09/35/02/799093502.db2.gz NBSXLPUUYHKXBU-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027892048 799093510 /nfs/dbraw/zinc/09/35/10/799093510.db2.gz NBSXLPUUYHKXBU-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027892048 799093519 /nfs/dbraw/zinc/09/35/19/799093519.db2.gz NBSXLPUUYHKXBU-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027892048 799093528 /nfs/dbraw/zinc/09/35/28/799093528.db2.gz NBSXLPUUYHKXBU-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP O=C(NC[C@@H]1CCC[N@@H+]1CCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001027885361 799094339 /nfs/dbraw/zinc/09/43/39/799094339.db2.gz DCCVZKDMBVWOHU-UONOGXRCSA-N 2 1 281.400 -0.099 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCCO)C2)C1 ZINC001028462041 799140076 /nfs/dbraw/zinc/14/00/76/799140076.db2.gz XAZPLSFLVVIBLX-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCCO)C2)C1 ZINC001028462041 799140078 /nfs/dbraw/zinc/14/00/78/799140078.db2.gz XAZPLSFLVVIBLX-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001028462041 799140079 /nfs/dbraw/zinc/14/00/79/799140079.db2.gz XAZPLSFLVVIBLX-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001028462041 799140082 /nfs/dbraw/zinc/14/00/82/799140082.db2.gz XAZPLSFLVVIBLX-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549479 799152187 /nfs/dbraw/zinc/15/21/87/799152187.db2.gz RAUCGWZNIQHEKX-FRRDWIJNSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028549479 799152193 /nfs/dbraw/zinc/15/21/93/799152193.db2.gz RAUCGWZNIQHEKX-FRRDWIJNSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028549479 799152197 /nfs/dbraw/zinc/15/21/97/799152197.db2.gz RAUCGWZNIQHEKX-FRRDWIJNSA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001028757203 799166172 /nfs/dbraw/zinc/16/61/72/799166172.db2.gz AYDYQWFNPIOJOY-KBPBESRZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001028757203 799166177 /nfs/dbraw/zinc/16/61/77/799166177.db2.gz AYDYQWFNPIOJOY-KBPBESRZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001028757203 799166183 /nfs/dbraw/zinc/16/61/83/799166183.db2.gz AYDYQWFNPIOJOY-KBPBESRZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028778813 799169589 /nfs/dbraw/zinc/16/95/89/799169589.db2.gz MFTVFTKKWNYTJM-RYUDHWBXSA-N 2 1 296.415 -0.360 20 0 CBADMP O=C(NC[C@H]1CC[N@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001028931759 799181614 /nfs/dbraw/zinc/18/16/14/799181614.db2.gz XLLJNPOYYFYMKH-GFCCVEGCSA-N 2 1 267.373 -0.487 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001028987208 799184108 /nfs/dbraw/zinc/18/41/08/799184108.db2.gz WBWCSMLXDWRYKN-RYUDHWBXSA-N 2 1 255.362 -0.632 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001028987208 799184110 /nfs/dbraw/zinc/18/41/10/799184110.db2.gz WBWCSMLXDWRYKN-RYUDHWBXSA-N 2 1 255.362 -0.632 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001028987208 799184111 /nfs/dbraw/zinc/18/41/11/799184111.db2.gz WBWCSMLXDWRYKN-RYUDHWBXSA-N 2 1 255.362 -0.632 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001028982439 799184510 /nfs/dbraw/zinc/18/45/10/799184510.db2.gz KWYAFCDYMGTZSD-QWHCGFSZSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001028982439 799184511 /nfs/dbraw/zinc/18/45/11/799184511.db2.gz KWYAFCDYMGTZSD-QWHCGFSZSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001028982439 799184516 /nfs/dbraw/zinc/18/45/16/799184516.db2.gz KWYAFCDYMGTZSD-QWHCGFSZSA-N 2 1 269.389 -0.241 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028985260 799184526 /nfs/dbraw/zinc/18/45/26/799184526.db2.gz JYCMPVOMXPFYFP-VXGBXAGGSA-N 2 1 282.388 -0.878 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028985260 799184530 /nfs/dbraw/zinc/18/45/30/799184530.db2.gz JYCMPVOMXPFYFP-VXGBXAGGSA-N 2 1 282.388 -0.878 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028985260 799184533 /nfs/dbraw/zinc/18/45/33/799184533.db2.gz JYCMPVOMXPFYFP-VXGBXAGGSA-N 2 1 282.388 -0.878 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)C1 ZINC001028996294 799186266 /nfs/dbraw/zinc/18/62/66/799186266.db2.gz DCWLXVXFZYOILF-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)C1 ZINC001028996294 799186268 /nfs/dbraw/zinc/18/62/68/799186268.db2.gz DCWLXVXFZYOILF-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](CCO)C2)C1 ZINC001028996294 799186269 /nfs/dbraw/zinc/18/62/69/799186269.db2.gz DCWLXVXFZYOILF-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001028996294 799186270 /nfs/dbraw/zinc/18/62/70/799186270.db2.gz DCWLXVXFZYOILF-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001028996296 799186326 /nfs/dbraw/zinc/18/63/26/799186326.db2.gz DCWLXVXFZYOILF-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001028996296 799186329 /nfs/dbraw/zinc/18/63/29/799186329.db2.gz DCWLXVXFZYOILF-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001028996296 799186330 /nfs/dbraw/zinc/18/63/30/799186330.db2.gz DCWLXVXFZYOILF-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001028996296 799186333 /nfs/dbraw/zinc/18/63/33/799186333.db2.gz DCWLXVXFZYOILF-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029309432 799194835 /nfs/dbraw/zinc/19/48/35/799194835.db2.gz NOZSQFYUWXQNDF-ZNMIVQPWSA-N 2 1 293.411 -0.004 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029516014 799201981 /nfs/dbraw/zinc/20/19/81/799201981.db2.gz CCQSTUCJMVFQQC-OKILXGFUSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029516014 799201989 /nfs/dbraw/zinc/20/19/89/799201989.db2.gz CCQSTUCJMVFQQC-OKILXGFUSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029585963 799202441 /nfs/dbraw/zinc/20/24/41/799202441.db2.gz FMZHFEQJRSGZGM-BETUJISGSA-N 2 1 267.373 -0.250 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029584498 799202565 /nfs/dbraw/zinc/20/25/65/799202565.db2.gz WIRWKTOEBWMWCM-UPJWGTAASA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001029584498 799202567 /nfs/dbraw/zinc/20/25/67/799202567.db2.gz WIRWKTOEBWMWCM-UPJWGTAASA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001029584498 799202572 /nfs/dbraw/zinc/20/25/72/799202572.db2.gz WIRWKTOEBWMWCM-UPJWGTAASA-N 2 1 267.373 -0.394 20 0 CBADMP CN1CCO[C@@H](C(=O)NC2C[NH+](CC[C@H]3CCOC3)C2)C1 ZINC001030185099 799260414 /nfs/dbraw/zinc/26/04/14/799260414.db2.gz ZMHHMLCQTRKGOJ-GXTWGEPZSA-N 2 1 297.399 -0.456 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001031384824 799481241 /nfs/dbraw/zinc/48/12/41/799481241.db2.gz NDLAQBLQHKCXRJ-VXGBXAGGSA-N 2 1 267.373 -0.225 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001031585295 799513642 /nfs/dbraw/zinc/51/36/42/799513642.db2.gz VRDLWFMRRHUZLV-CHWSQXEVSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001031585295 799513644 /nfs/dbraw/zinc/51/36/44/799513644.db2.gz VRDLWFMRRHUZLV-CHWSQXEVSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031585555 799513971 /nfs/dbraw/zinc/51/39/71/799513971.db2.gz ZHKMQUGPLOJYQZ-DGCLKSJQSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031585555 799513973 /nfs/dbraw/zinc/51/39/73/799513973.db2.gz ZHKMQUGPLOJYQZ-DGCLKSJQSA-N 2 1 296.415 -0.395 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001031596848 799516254 /nfs/dbraw/zinc/51/62/54/799516254.db2.gz QKQXVPNUOUIYBI-JSGCOSHPSA-N 2 1 297.399 -0.599 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001031596848 799516258 /nfs/dbraw/zinc/51/62/58/799516258.db2.gz QKQXVPNUOUIYBI-JSGCOSHPSA-N 2 1 297.399 -0.599 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCCF)C2)C1 ZINC001031595395 799516360 /nfs/dbraw/zinc/51/63/60/799516360.db2.gz WTVHGGBODYKNOS-GFCCVEGCSA-N 2 1 273.352 -0.275 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCCF)C2)C1 ZINC001031595395 799516366 /nfs/dbraw/zinc/51/63/66/799516366.db2.gz WTVHGGBODYKNOS-GFCCVEGCSA-N 2 1 273.352 -0.275 20 0 CBADMP CC(C)[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031593619 799516436 /nfs/dbraw/zinc/51/64/36/799516436.db2.gz FRJVKQVOOSQVIC-LBPRGKRZSA-N 2 1 255.362 -0.227 20 0 CBADMP CC(C)[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031593619 799516442 /nfs/dbraw/zinc/51/64/42/799516442.db2.gz FRJVKQVOOSQVIC-LBPRGKRZSA-N 2 1 255.362 -0.227 20 0 CBADMP COC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031596883 799517367 /nfs/dbraw/zinc/51/73/67/799517367.db2.gz RHOCZQHIUOXZKR-AAEUAGOBSA-N 2 1 285.388 -0.600 20 0 CBADMP COC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031596883 799517370 /nfs/dbraw/zinc/51/73/70/799517370.db2.gz RHOCZQHIUOXZKR-AAEUAGOBSA-N 2 1 285.388 -0.600 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031713651 799536216 /nfs/dbraw/zinc/53/62/16/799536216.db2.gz DIPQZYDAQHMGRN-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP O=C(NCC1C[NH+](CCO)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001031732144 799537659 /nfs/dbraw/zinc/53/76/59/799537659.db2.gz VOEQXFUECOSKOY-GFCCVEGCSA-N 2 1 278.356 -0.199 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CCCO)C2)O1 ZINC001031763349 799542259 /nfs/dbraw/zinc/54/22/59/799542259.db2.gz AHYWQYQUOVDKEC-DGCLKSJQSA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CCCO)C2)O1 ZINC001031763349 799542264 /nfs/dbraw/zinc/54/22/64/799542264.db2.gz AHYWQYQUOVDKEC-DGCLKSJQSA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031771791 799542752 /nfs/dbraw/zinc/54/27/52/799542752.db2.gz INHRRLWXXPXUQD-GFCCVEGCSA-N 2 1 255.362 -0.489 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1C[NH+](CCO)C1)CC2 ZINC001031931542 799563817 /nfs/dbraw/zinc/56/38/17/799563817.db2.gz KOVZGHPVFPRWTK-CYBMUJFWSA-N 2 1 292.383 -0.206 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031977168 799568575 /nfs/dbraw/zinc/56/85/75/799568575.db2.gz XSYBWLUACGOJAI-AAEUAGOBSA-N 2 1 269.389 -0.386 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130999 799584806 /nfs/dbraw/zinc/58/48/06/799584806.db2.gz DQBBPPFVKDXKOD-LBPRGKRZSA-N 2 1 294.399 -0.606 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186136 799590157 /nfs/dbraw/zinc/59/01/57/799590157.db2.gz JBVINZHONINSRU-ZYHUDNBSSA-N 2 1 282.388 -0.879 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186136 799590163 /nfs/dbraw/zinc/59/01/63/799590163.db2.gz JBVINZHONINSRU-ZYHUDNBSSA-N 2 1 282.388 -0.879 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCOC)C2)C1 ZINC001032196679 799592832 /nfs/dbraw/zinc/59/28/32/799592832.db2.gz ADMXUDYWIIESNH-ZDUSSCGKSA-N 2 1 285.388 -0.599 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCOC)C2)C1 ZINC001032196679 799592833 /nfs/dbraw/zinc/59/28/33/799592833.db2.gz ADMXUDYWIIESNH-ZDUSSCGKSA-N 2 1 285.388 -0.599 20 0 CBADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO)[NH+](C)C ZINC001032632450 799651427 /nfs/dbraw/zinc/65/14/27/799651427.db2.gz BOCJEYPHBUZYIJ-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO)[NH+](C)C ZINC001032632450 799651433 /nfs/dbraw/zinc/65/14/33/799651433.db2.gz BOCJEYPHBUZYIJ-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)CC1 ZINC001032700481 799658186 /nfs/dbraw/zinc/65/81/86/799658186.db2.gz OHNQRUINTBMYFX-KBPBESRZSA-N 2 1 281.400 -0.004 20 0 CBADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)CC1 ZINC001032700481 799658196 /nfs/dbraw/zinc/65/81/96/799658196.db2.gz OHNQRUINTBMYFX-KBPBESRZSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838431 799678260 /nfs/dbraw/zinc/67/82/60/799678260.db2.gz XSEUILGLQGLRLC-QJPTWQEYSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032838431 799678262 /nfs/dbraw/zinc/67/82/62/799678262.db2.gz XSEUILGLQGLRLC-QJPTWQEYSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032838431 799678264 /nfs/dbraw/zinc/67/82/64/799678264.db2.gz XSEUILGLQGLRLC-QJPTWQEYSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032840121 799679648 /nfs/dbraw/zinc/67/96/48/799679648.db2.gz UNNBABOICQRBAA-QNWHQSFQSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032840121 799679649 /nfs/dbraw/zinc/67/96/49/799679649.db2.gz UNNBABOICQRBAA-QNWHQSFQSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001032840121 799679654 /nfs/dbraw/zinc/67/96/54/799679654.db2.gz UNNBABOICQRBAA-QNWHQSFQSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001032840121 799679656 /nfs/dbraw/zinc/67/96/56/799679656.db2.gz UNNBABOICQRBAA-QNWHQSFQSA-N 2 1 296.415 -0.219 20 0 CBADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001032959106 799697017 /nfs/dbraw/zinc/69/70/17/799697017.db2.gz CZJBMTMLEJKZSJ-NEPJUHHUSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCO)C1 ZINC001032959106 799697019 /nfs/dbraw/zinc/69/70/19/799697019.db2.gz CZJBMTMLEJKZSJ-NEPJUHHUSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCO)C1 ZINC001032959106 799697022 /nfs/dbraw/zinc/69/70/22/799697022.db2.gz CZJBMTMLEJKZSJ-NEPJUHHUSA-N 2 1 255.362 -0.394 20 0 CBADMP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032979739 799699583 /nfs/dbraw/zinc/69/95/83/799699583.db2.gz JGNQHMVKSOYBGZ-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032979739 799699584 /nfs/dbraw/zinc/69/95/84/799699584.db2.gz JGNQHMVKSOYBGZ-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032979739 799699589 /nfs/dbraw/zinc/69/95/89/799699589.db2.gz JGNQHMVKSOYBGZ-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032979739 799699591 /nfs/dbraw/zinc/69/95/91/799699591.db2.gz JGNQHMVKSOYBGZ-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033199578 799726414 /nfs/dbraw/zinc/72/64/14/799726414.db2.gz VRLXLEBTMPUILD-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CCO)C1 ZINC001033199578 799726421 /nfs/dbraw/zinc/72/64/21/799726421.db2.gz VRLXLEBTMPUILD-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CCO)C1 ZINC001033199578 799726423 /nfs/dbraw/zinc/72/64/23/799726423.db2.gz VRLXLEBTMPUILD-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033581341 799769854 /nfs/dbraw/zinc/76/98/54/799769854.db2.gz JPZQXEVFIYFCIC-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033581341 799769855 /nfs/dbraw/zinc/76/98/55/799769855.db2.gz JPZQXEVFIYFCIC-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033581341 799769857 /nfs/dbraw/zinc/76/98/57/799769857.db2.gz JPZQXEVFIYFCIC-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033581341 799769859 /nfs/dbraw/zinc/76/98/59/799769859.db2.gz JPZQXEVFIYFCIC-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657908 799775277 /nfs/dbraw/zinc/77/52/77/799775277.db2.gz OIGOLZCJRSFRQH-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033660057 799777587 /nfs/dbraw/zinc/77/75/87/799777587.db2.gz HCQDLXUZGJEKII-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033660057 799777591 /nfs/dbraw/zinc/77/75/91/799777591.db2.gz HCQDLXUZGJEKII-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033660057 799777594 /nfs/dbraw/zinc/77/75/94/799777594.db2.gz HCQDLXUZGJEKII-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](CCCO)C2)C1 ZINC001033671827 799777798 /nfs/dbraw/zinc/77/77/98/799777798.db2.gz JYQJGLPPPJBQHH-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](CCCO)C2)C1 ZINC001033671827 799777805 /nfs/dbraw/zinc/77/78/05/799777805.db2.gz JYQJGLPPPJBQHH-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001033671827 799777808 /nfs/dbraw/zinc/77/78/08/799777808.db2.gz JYQJGLPPPJBQHH-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001033671827 799777812 /nfs/dbraw/zinc/77/78/12/799777812.db2.gz JYQJGLPPPJBQHH-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033661003 799777988 /nfs/dbraw/zinc/77/79/88/799777988.db2.gz JZAMQLAQZATBIZ-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033661003 799777991 /nfs/dbraw/zinc/77/79/91/799777991.db2.gz JZAMQLAQZATBIZ-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033661003 799777994 /nfs/dbraw/zinc/77/79/94/799777994.db2.gz JZAMQLAQZATBIZ-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033661003 799777998 /nfs/dbraw/zinc/77/79/98/799777998.db2.gz JZAMQLAQZATBIZ-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033666072 799778299 /nfs/dbraw/zinc/77/82/99/799778299.db2.gz UHVFNQUEXJYKSB-LBPRGKRZSA-N 2 1 255.362 -0.393 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCOC)C2)C1 ZINC001033672360 799780065 /nfs/dbraw/zinc/78/00/65/799780065.db2.gz ORAOHOFUGXKBRT-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCOC)C2)C1 ZINC001033672360 799780067 /nfs/dbraw/zinc/78/00/67/799780067.db2.gz ORAOHOFUGXKBRT-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC001033672360 799780071 /nfs/dbraw/zinc/78/00/71/799780071.db2.gz ORAOHOFUGXKBRT-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC001033672360 799780072 /nfs/dbraw/zinc/78/00/72/799780072.db2.gz ORAOHOFUGXKBRT-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034148337 799816260 /nfs/dbraw/zinc/81/62/60/799816260.db2.gz IPEJOACRGFBHRP-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034148337 799816264 /nfs/dbraw/zinc/81/62/64/799816264.db2.gz IPEJOACRGFBHRP-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCCO)C2)C1 ZINC001034148337 799816271 /nfs/dbraw/zinc/81/62/71/799816271.db2.gz IPEJOACRGFBHRP-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCCO)C2)C1 ZINC001034148337 799816279 /nfs/dbraw/zinc/81/62/79/799816279.db2.gz IPEJOACRGFBHRP-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001034214972 799823139 /nfs/dbraw/zinc/82/31/39/799823139.db2.gz SOCNBXUBYLODMH-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001034214972 799823147 /nfs/dbraw/zinc/82/31/47/799823147.db2.gz SOCNBXUBYLODMH-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001034214972 799823155 /nfs/dbraw/zinc/82/31/55/799823155.db2.gz SOCNBXUBYLODMH-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001034214972 799823163 /nfs/dbraw/zinc/82/31/63/799823163.db2.gz SOCNBXUBYLODMH-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](CCO)C2)C1 ZINC001034523965 799842634 /nfs/dbraw/zinc/84/26/34/799842634.db2.gz CVDBOLNBIVRWCC-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCO)C2)C1 ZINC001034523965 799842641 /nfs/dbraw/zinc/84/26/41/799842641.db2.gz CVDBOLNBIVRWCC-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCO)C2)C1 ZINC001034523965 799842647 /nfs/dbraw/zinc/84/26/47/799842647.db2.gz CVDBOLNBIVRWCC-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCO)C2)C1 ZINC001034523963 799842701 /nfs/dbraw/zinc/84/27/01/799842701.db2.gz CVDBOLNBIVRWCC-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCO)C2)C1 ZINC001034523963 799842710 /nfs/dbraw/zinc/84/27/10/799842710.db2.gz CVDBOLNBIVRWCC-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)C1 ZINC001034523963 799842715 /nfs/dbraw/zinc/84/27/15/799842715.db2.gz CVDBOLNBIVRWCC-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034692390 799851922 /nfs/dbraw/zinc/85/19/22/799851922.db2.gz JIOKTLYXFTYRHM-HAQNSBGRSA-N 2 1 293.371 -0.306 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034736597 799854810 /nfs/dbraw/zinc/85/48/10/799854810.db2.gz XTPCSNUPTBLJEG-JHJVBQTASA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035579494 799948043 /nfs/dbraw/zinc/94/80/43/799948043.db2.gz JWKVNAKRIZHSLZ-OLZOCXBDSA-N 2 1 297.399 -0.720 20 0 CBADMP C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035579494 799948044 /nfs/dbraw/zinc/94/80/44/799948044.db2.gz JWKVNAKRIZHSLZ-OLZOCXBDSA-N 2 1 297.399 -0.720 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001036113522 799978018 /nfs/dbraw/zinc/97/80/18/799978018.db2.gz RKLXBANENNBESY-PWSUYJOCSA-N 2 1 293.371 -0.497 20 0 CBADMP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001038134127 800059843 /nfs/dbraw/zinc/05/98/43/800059843.db2.gz DYQMZZSZBNSYQB-NWDGAFQWSA-N 2 1 271.361 -0.846 20 0 CBADMP COCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001038134127 800059852 /nfs/dbraw/zinc/05/98/52/800059852.db2.gz DYQMZZSZBNSYQB-NWDGAFQWSA-N 2 1 271.361 -0.846 20 0 CBADMP O=C(NC[C@@H]1CC[N@@H+]1CCCO)[C@H]1C[NH+]2CCC1CC2 ZINC001038247541 800087149 /nfs/dbraw/zinc/08/71/49/800087149.db2.gz INQYVIWDNYZRCA-KBPBESRZSA-N 2 1 281.400 -0.099 20 0 CBADMP O=C(NC[C@H]1CC[N@@H+]1CCCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001038247544 800089279 /nfs/dbraw/zinc/08/92/79/800089279.db2.gz INQYVIWDNYZRCA-ZIAGYGMSSA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038664405 801234276 /nfs/dbraw/zinc/23/42/76/801234276.db2.gz UWNAALADZIMBTB-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001045385072 801694341 /nfs/dbraw/zinc/69/43/41/801694341.db2.gz CKRZSOJJFICTSD-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001045385072 801694344 /nfs/dbraw/zinc/69/43/44/801694344.db2.gz CKRZSOJJFICTSD-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@]1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+](CCO)C1 ZINC001046317046 801753843 /nfs/dbraw/zinc/75/38/43/801753843.db2.gz DSMPDBBVEWFALZ-ZFWWWQNUSA-N 2 1 281.400 -0.099 20 0 CBADMP COCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046414144 801759990 /nfs/dbraw/zinc/75/99/90/801759990.db2.gz FSWBXKQWEZUICW-NFAWXSAZSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046414144 801759991 /nfs/dbraw/zinc/75/99/91/801759991.db2.gz FSWBXKQWEZUICW-NFAWXSAZSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046414144 801759992 /nfs/dbraw/zinc/75/99/92/801759992.db2.gz FSWBXKQWEZUICW-NFAWXSAZSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046414144 801759993 /nfs/dbraw/zinc/75/99/93/801759993.db2.gz FSWBXKQWEZUICW-NFAWXSAZSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046776290 801792994 /nfs/dbraw/zinc/79/29/94/801792994.db2.gz CUFJTINQEVSMQT-BXUZGUMPSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046776290 801793000 /nfs/dbraw/zinc/79/30/00/801793000.db2.gz CUFJTINQEVSMQT-BXUZGUMPSA-N 2 1 294.399 -0.463 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046830843 801795317 /nfs/dbraw/zinc/79/53/17/801795317.db2.gz CCXQKSCMKPPLCD-DOMZBBRYSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046830843 801795323 /nfs/dbraw/zinc/79/53/23/801795323.db2.gz CCXQKSCMKPPLCD-DOMZBBRYSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046830843 801795330 /nfs/dbraw/zinc/79/53/30/801795330.db2.gz CCXQKSCMKPPLCD-DOMZBBRYSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046830843 801795334 /nfs/dbraw/zinc/79/53/34/801795334.db2.gz CCXQKSCMKPPLCD-DOMZBBRYSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046839968 801797223 /nfs/dbraw/zinc/79/72/23/801797223.db2.gz VIHAQWZHGMHEHA-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCCO)C2)C1 ZINC001046839968 801797226 /nfs/dbraw/zinc/79/72/26/801797226.db2.gz VIHAQWZHGMHEHA-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCCO)C2)C1 ZINC001046839968 801797230 /nfs/dbraw/zinc/79/72/30/801797230.db2.gz VIHAQWZHGMHEHA-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047324497 801834570 /nfs/dbraw/zinc/83/45/70/801834570.db2.gz RBDSVZFNRRNWJF-AGIUHOORSA-N 2 1 287.379 -0.056 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+](CCCF)C[C@@H]1O ZINC001047324497 801834575 /nfs/dbraw/zinc/83/45/75/801834575.db2.gz RBDSVZFNRRNWJF-AGIUHOORSA-N 2 1 287.379 -0.056 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+](CCCF)C[C@@H]1O ZINC001047324497 801834578 /nfs/dbraw/zinc/83/45/78/801834578.db2.gz RBDSVZFNRRNWJF-AGIUHOORSA-N 2 1 287.379 -0.056 20 0 CBADMP CC(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047334065 801839287 /nfs/dbraw/zinc/83/92/87/801839287.db2.gz WYMFTEUQMAAQTP-IHRRRGAJSA-N 2 1 299.415 -0.524 20 0 CBADMP CC(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047334065 801839294 /nfs/dbraw/zinc/83/92/94/801839294.db2.gz WYMFTEUQMAAQTP-IHRRRGAJSA-N 2 1 299.415 -0.524 20 0 CBADMP CC(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001047334065 801839300 /nfs/dbraw/zinc/83/93/00/801839300.db2.gz WYMFTEUQMAAQTP-IHRRRGAJSA-N 2 1 299.415 -0.524 20 0 CBADMP CC(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001047334065 801839304 /nfs/dbraw/zinc/83/93/04/801839304.db2.gz WYMFTEUQMAAQTP-IHRRRGAJSA-N 2 1 299.415 -0.524 20 0 CBADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047428654 801869390 /nfs/dbraw/zinc/86/93/90/801869390.db2.gz GEQKWPKJMZRWMW-RDBSUJKOSA-N 2 1 299.415 -0.643 20 0 CBADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047428654 801869398 /nfs/dbraw/zinc/86/93/98/801869398.db2.gz GEQKWPKJMZRWMW-RDBSUJKOSA-N 2 1 299.415 -0.643 20 0 CBADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047428654 801869405 /nfs/dbraw/zinc/86/94/05/801869405.db2.gz GEQKWPKJMZRWMW-RDBSUJKOSA-N 2 1 299.415 -0.643 20 0 CBADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047428654 801869412 /nfs/dbraw/zinc/86/94/12/801869412.db2.gz GEQKWPKJMZRWMW-RDBSUJKOSA-N 2 1 299.415 -0.643 20 0 CBADMP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047595656 801908593 /nfs/dbraw/zinc/90/85/93/801908593.db2.gz IRWKXNIHYMPLJA-IHRRRGAJSA-N 2 1 299.415 -0.522 20 0 CBADMP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001047595656 801908599 /nfs/dbraw/zinc/90/85/99/801908599.db2.gz IRWKXNIHYMPLJA-IHRRRGAJSA-N 2 1 299.415 -0.522 20 0 CBADMP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047595656 801908605 /nfs/dbraw/zinc/90/86/05/801908605.db2.gz IRWKXNIHYMPLJA-IHRRRGAJSA-N 2 1 299.415 -0.522 20 0 CBADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047598282 801909167 /nfs/dbraw/zinc/90/91/67/801909167.db2.gz DMHZDSDIUKTTGZ-STQMWFEESA-N 2 1 299.390 -0.055 20 0 CBADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047638329 801912760 /nfs/dbraw/zinc/91/27/60/801912760.db2.gz NHWIWTUAWUZYNU-IHRRRGAJSA-N 2 1 299.415 -0.643 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047638329 801912767 /nfs/dbraw/zinc/91/27/67/801912767.db2.gz NHWIWTUAWUZYNU-IHRRRGAJSA-N 2 1 299.415 -0.643 20 0 CBADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047638329 801912769 /nfs/dbraw/zinc/91/27/69/801912769.db2.gz NHWIWTUAWUZYNU-IHRRRGAJSA-N 2 1 299.415 -0.643 20 0 CBADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047638329 801912775 /nfs/dbraw/zinc/91/27/75/801912775.db2.gz NHWIWTUAWUZYNU-IHRRRGAJSA-N 2 1 299.415 -0.643 20 0 CBADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047627674 801915974 /nfs/dbraw/zinc/91/59/74/801915974.db2.gz TXKOMKFJCSHVGV-IHRRRGAJSA-N 2 1 281.400 -0.148 20 0 CBADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001047627674 801915981 /nfs/dbraw/zinc/91/59/81/801915981.db2.gz TXKOMKFJCSHVGV-IHRRRGAJSA-N 2 1 281.400 -0.148 20 0 CBADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001047627674 801915988 /nfs/dbraw/zinc/91/59/88/801915988.db2.gz TXKOMKFJCSHVGV-IHRRRGAJSA-N 2 1 281.400 -0.148 20 0 CBADMP 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 801978054 /nfs/dbraw/zinc/97/80/54/801978054.db2.gz DCQWYVJSIULOKQ-FVCCEPFGSA-N 2 1 296.415 -0.409 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001048896983 801978789 /nfs/dbraw/zinc/97/87/89/801978789.db2.gz MISOAZLVNHXRRL-MJBXVCDLSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048896983 801978793 /nfs/dbraw/zinc/97/87/93/801978793.db2.gz MISOAZLVNHXRRL-MJBXVCDLSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048896983 801978796 /nfs/dbraw/zinc/97/87/96/801978796.db2.gz MISOAZLVNHXRRL-MJBXVCDLSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)C[C@@H]2C1 ZINC001049059958 801994527 /nfs/dbraw/zinc/99/45/27/801994527.db2.gz KJGNYFZFRLCATC-KBXIAJHMSA-N 2 1 295.427 -0.043 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049059958 801994533 /nfs/dbraw/zinc/99/45/33/801994533.db2.gz KJGNYFZFRLCATC-KBXIAJHMSA-N 2 1 295.427 -0.043 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001049059958 801994539 /nfs/dbraw/zinc/99/45/39/801994539.db2.gz KJGNYFZFRLCATC-KBXIAJHMSA-N 2 1 295.427 -0.043 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001049059288 801995521 /nfs/dbraw/zinc/99/55/21/801995521.db2.gz PTBUJLQYGJOYJD-MCIONIFRSA-N 2 1 281.400 -0.289 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)C1 ZINC001049059288 801995526 /nfs/dbraw/zinc/99/55/26/801995526.db2.gz PTBUJLQYGJOYJD-MCIONIFRSA-N 2 1 281.400 -0.289 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1 ZINC001049059288 801995530 /nfs/dbraw/zinc/99/55/30/801995530.db2.gz PTBUJLQYGJOYJD-MCIONIFRSA-N 2 1 281.400 -0.289 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001049171741 802003645 /nfs/dbraw/zinc/00/36/45/802003645.db2.gz QENOQYADWRCYGI-MELADBBJSA-N 2 1 281.400 -0.289 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)C1 ZINC001049171741 802003648 /nfs/dbraw/zinc/00/36/48/802003648.db2.gz QENOQYADWRCYGI-MELADBBJSA-N 2 1 281.400 -0.289 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1 ZINC001049171741 802003656 /nfs/dbraw/zinc/00/36/56/802003656.db2.gz QENOQYADWRCYGI-MELADBBJSA-N 2 1 281.400 -0.289 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001049171740 802004491 /nfs/dbraw/zinc/00/44/91/802004491.db2.gz QENOQYADWRCYGI-MCIONIFRSA-N 2 1 281.400 -0.289 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)C1 ZINC001049171740 802004499 /nfs/dbraw/zinc/00/44/99/802004499.db2.gz QENOQYADWRCYGI-MCIONIFRSA-N 2 1 281.400 -0.289 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1 ZINC001049171740 802004507 /nfs/dbraw/zinc/00/45/07/802004507.db2.gz QENOQYADWRCYGI-MCIONIFRSA-N 2 1 281.400 -0.289 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(N)=O)[NH+](C)C ZINC001049726977 802037139 /nfs/dbraw/zinc/03/71/39/802037139.db2.gz HQLUJLPAEGHLHN-RWMBFGLXSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(N)=O)[NH+](C)C ZINC001049726977 802037146 /nfs/dbraw/zinc/03/71/46/802037146.db2.gz HQLUJLPAEGHLHN-RWMBFGLXSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(N)=O)[NH+](C)C ZINC001049726976 802037461 /nfs/dbraw/zinc/03/74/61/802037461.db2.gz HQLUJLPAEGHLHN-AVGNSLFASA-N 2 1 296.415 -0.123 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(N)=O)[NH+](C)C ZINC001049726976 802037468 /nfs/dbraw/zinc/03/74/68/802037468.db2.gz HQLUJLPAEGHLHN-AVGNSLFASA-N 2 1 296.415 -0.123 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC3CC3)C2)C1 ZINC001051513642 802150563 /nfs/dbraw/zinc/15/05/63/802150563.db2.gz DPDFTLWXTHDRNG-UONOGXRCSA-N 2 1 297.399 -0.456 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC3CC3)C2)C1 ZINC001051513642 802150566 /nfs/dbraw/zinc/15/05/66/802150566.db2.gz DPDFTLWXTHDRNG-UONOGXRCSA-N 2 1 297.399 -0.456 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCO1 ZINC001051939231 802174753 /nfs/dbraw/zinc/17/47/53/802174753.db2.gz YDJHIXJABQCVHZ-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001051939231 802174756 /nfs/dbraw/zinc/17/47/56/802174756.db2.gz YDJHIXJABQCVHZ-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCO)CC2)C1 ZINC001052276325 802190076 /nfs/dbraw/zinc/19/00/76/802190076.db2.gz AMIKZRHXBXGCJH-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCO)CC2)C1 ZINC001052276325 802190079 /nfs/dbraw/zinc/19/00/79/802190079.db2.gz AMIKZRHXBXGCJH-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](CCO)CC2)C1 ZINC001052276325 802190086 /nfs/dbraw/zinc/19/00/86/802190086.db2.gz AMIKZRHXBXGCJH-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](CCO)CC2)C1 ZINC001052276325 802190091 /nfs/dbraw/zinc/19/00/91/802190091.db2.gz AMIKZRHXBXGCJH-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052498400 802201856 /nfs/dbraw/zinc/20/18/56/802201856.db2.gz HICXXGXHEFVCIF-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052498400 802201859 /nfs/dbraw/zinc/20/18/59/802201859.db2.gz HICXXGXHEFVCIF-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052498400 802201865 /nfs/dbraw/zinc/20/18/65/802201865.db2.gz HICXXGXHEFVCIF-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052713553 802215494 /nfs/dbraw/zinc/21/54/94/802215494.db2.gz ZUIYIAYXJCGWGC-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)C1 ZINC001052713553 802215499 /nfs/dbraw/zinc/21/54/99/802215499.db2.gz ZUIYIAYXJCGWGC-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC001052713553 802215507 /nfs/dbraw/zinc/21/55/07/802215507.db2.gz ZUIYIAYXJCGWGC-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052871375 802222342 /nfs/dbraw/zinc/22/23/42/802222342.db2.gz GOQAMXTTZGTOSB-GFCCVEGCSA-N 2 1 294.399 -0.462 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCO)CC2)C1 ZINC001052947355 802224935 /nfs/dbraw/zinc/22/49/35/802224935.db2.gz OFDHJDVYORDBHG-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCO)CC2)C1 ZINC001052947355 802224939 /nfs/dbraw/zinc/22/49/39/802224939.db2.gz OFDHJDVYORDBHG-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCO)CC2)C1 ZINC001052947355 802224945 /nfs/dbraw/zinc/22/49/45/802224945.db2.gz OFDHJDVYORDBHG-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)C1 ZINC001052947355 802224949 /nfs/dbraw/zinc/22/49/49/802224949.db2.gz OFDHJDVYORDBHG-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCO)CC2)C1 ZINC001052934293 802225332 /nfs/dbraw/zinc/22/53/32/802225332.db2.gz ISNIOZHKSBYXDK-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CCO)CC2)C1 ZINC001052934293 802225338 /nfs/dbraw/zinc/22/53/38/802225338.db2.gz ISNIOZHKSBYXDK-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CCO)CC2)C1 ZINC001052934293 802225343 /nfs/dbraw/zinc/22/53/43/802225343.db2.gz ISNIOZHKSBYXDK-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1[NH2+]CCO ZINC001054734147 802367683 /nfs/dbraw/zinc/36/76/83/802367683.db2.gz ASXOYZMGWGZGOJ-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001054905211 802378126 /nfs/dbraw/zinc/37/81/26/802378126.db2.gz BPZMDGJFZRAFMB-MWLCHTKSSA-N 2 1 279.344 -0.887 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCO)C1 ZINC001054907587 802378882 /nfs/dbraw/zinc/37/88/82/802378882.db2.gz YQHVAPZXESLNHT-PWSUYJOCSA-N 2 1 266.345 -0.380 20 0 CBADMP CNC(=O)C[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210163 814934138 /nfs/dbraw/zinc/93/41/38/814934138.db2.gz HOSUCAOHWVMGLN-UHFFFAOYSA-N 2 1 282.388 -0.782 20 0 CBADMP CNC(=O)C[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210163 814934143 /nfs/dbraw/zinc/93/41/43/814934143.db2.gz HOSUCAOHWVMGLN-UHFFFAOYSA-N 2 1 282.388 -0.782 20 0 CBADMP OCC[NH2+]C1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001119619331 812837268 /nfs/dbraw/zinc/83/72/68/812837268.db2.gz ZJRGMGGYJRHQPV-ZDUSSCGKSA-N 2 1 268.361 -0.710 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](N3CCNC3=O)C2)C1 ZINC001119683139 812866417 /nfs/dbraw/zinc/86/64/17/812866417.db2.gz YLJNPVPUQPGMHW-BJDJZHNGSA-N 2 1 268.361 -0.673 20 0 CBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCc1ccccn1 ZINC001119682447 812866779 /nfs/dbraw/zinc/86/67/79/812866779.db2.gz JJZOZOYWQLATIY-UHFFFAOYSA-N 2 1 277.372 -0.807 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]C ZINC001122101152 813118035 /nfs/dbraw/zinc/11/80/35/813118035.db2.gz XOUQEXPWTVVGTI-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](NC(=O)CC(C)(C)[NH3+])[C@H]1C[N@@H+](C)CCN1C ZINC001122449123 813166835 /nfs/dbraw/zinc/16/68/35/813166835.db2.gz SSMAVCBPGSEKHR-GHMZBOCLSA-N 2 1 256.394 -0.136 20 0 CBADMP C[C@@H](NC(=O)CC(C)(C)[NH3+])[C@H]1CN(C)CC[N@@H+]1C ZINC001122449123 813166841 /nfs/dbraw/zinc/16/68/41/813166841.db2.gz SSMAVCBPGSEKHR-GHMZBOCLSA-N 2 1 256.394 -0.136 20 0 CBADMP C[C@@H](NC(=O)CC(C)(C)[NH3+])[C@H]1CN(C)CC[N@H+]1C ZINC001122449123 813166846 /nfs/dbraw/zinc/16/68/46/813166846.db2.gz SSMAVCBPGSEKHR-GHMZBOCLSA-N 2 1 256.394 -0.136 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCO)C1 ZINC001129329172 813837861 /nfs/dbraw/zinc/83/78/61/813837861.db2.gz WKSAJUZITRZCGC-LBPRGKRZSA-N 2 1 257.378 -0.338 20 0 CBADMP CC(C)[C@H](C(=O)NCC[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001133415834 814250764 /nfs/dbraw/zinc/25/07/64/814250764.db2.gz QILGPNCEHCUTDY-GFCCVEGCSA-N 2 1 282.392 -0.393 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001133845425 814305469 /nfs/dbraw/zinc/30/54/69/814305469.db2.gz FMHVXEFPVKJZFV-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148360461 814939813 /nfs/dbraw/zinc/93/98/13/814939813.db2.gz VMAXZFCAKOKKTD-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001148572847 814950504 /nfs/dbraw/zinc/95/05/04/814950504.db2.gz NJOCJGGAWWUKJK-LLVKDONJSA-N 2 1 297.407 -0.291 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001148572847 814950506 /nfs/dbraw/zinc/95/05/06/814950506.db2.gz NJOCJGGAWWUKJK-LLVKDONJSA-N 2 1 297.407 -0.291 20 0 CBADMP C[C@H](O)C[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148604249 814953332 /nfs/dbraw/zinc/95/33/32/814953332.db2.gz BLRQDTAROVJMSE-ZDUSSCGKSA-N 2 1 299.415 -0.520 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001148638726 814954073 /nfs/dbraw/zinc/95/40/73/814954073.db2.gz OXKKRIIVOVKHDU-UHFFFAOYSA-N 2 1 284.404 -0.440 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001148642662 814954093 /nfs/dbraw/zinc/95/40/93/814954093.db2.gz JURDEVGDILQSRI-LLVKDONJSA-N 2 1 282.392 -0.076 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001148642662 814954100 /nfs/dbraw/zinc/95/41/00/814954100.db2.gz JURDEVGDILQSRI-LLVKDONJSA-N 2 1 282.392 -0.076 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCOCCOC ZINC001148638078 814954160 /nfs/dbraw/zinc/95/41/60/814954160.db2.gz AZNFUBNMVFCXRC-UHFFFAOYSA-N 2 1 275.393 -0.303 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]C[C@@H](O)COC ZINC001148638098 814954253 /nfs/dbraw/zinc/95/42/53/814954253.db2.gz CCSHQPKOHXHAJY-LLVKDONJSA-N 2 1 261.366 -0.959 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N(CC)CC ZINC001148638112 814954392 /nfs/dbraw/zinc/95/43/92/814954392.db2.gz CVBNTGIHTNFNFG-UHFFFAOYSA-N 2 1 286.420 -0.098 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(=O)NC)C2 ZINC001148646598 814954532 /nfs/dbraw/zinc/95/45/32/814954532.db2.gz DCYDAUQKRHRGRC-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(=O)NC)C2 ZINC001148646598 814954537 /nfs/dbraw/zinc/95/45/37/814954537.db2.gz DCYDAUQKRHRGRC-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC(=O)NC)C2 ZINC001148646598 814954543 /nfs/dbraw/zinc/95/45/43/814954543.db2.gz DCYDAUQKRHRGRC-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC)C2 ZINC001148646598 814954550 /nfs/dbraw/zinc/95/45/50/814954550.db2.gz DCYDAUQKRHRGRC-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ncnn1CC ZINC001148638790 814954725 /nfs/dbraw/zinc/95/47/25/814954725.db2.gz RSOBUHODKKJRLI-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ncnn1CC ZINC001148638790 814954726 /nfs/dbraw/zinc/95/47/26/814954726.db2.gz RSOBUHODKKJRLI-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cnn(CC)n1 ZINC001148638072 814955081 /nfs/dbraw/zinc/95/50/81/814955081.db2.gz APXUOAOBXLKWMF-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cnn(CC)n1 ZINC001148638072 814955088 /nfs/dbraw/zinc/95/50/88/814955088.db2.gz APXUOAOBXLKWMF-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001148638106 814955348 /nfs/dbraw/zinc/95/53/48/814955348.db2.gz CNVVDNCGUFIUAH-UHFFFAOYSA-N 2 1 294.399 -0.067 20 0 CBADMP C[C@@H](C[NH2+]CCn1cncn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001321849346 803827053 /nfs/dbraw/zinc/82/70/53/803827053.db2.gz MSLIEFOSNPDJCF-YNEHKIRRSA-N 2 1 294.403 -0.287 20 0 CBADMP CCOCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001322132495 803865500 /nfs/dbraw/zinc/86/55/00/803865500.db2.gz ANIYOHACYXLRKW-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CCOCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001322132495 803865510 /nfs/dbraw/zinc/86/55/10/803865510.db2.gz ANIYOHACYXLRKW-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CCOCC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001322132495 803865517 /nfs/dbraw/zinc/86/55/17/803865517.db2.gz ANIYOHACYXLRKW-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CCOCC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001322132495 803865527 /nfs/dbraw/zinc/86/55/27/803865527.db2.gz ANIYOHACYXLRKW-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CCOCC[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001322451837 803898645 /nfs/dbraw/zinc/89/86/45/803898645.db2.gz FPKXZHJRIJOQRI-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CCOCC[NH2+]CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001322451837 803898653 /nfs/dbraw/zinc/89/86/53/803898653.db2.gz FPKXZHJRIJOQRI-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP COCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001325036438 804226360 /nfs/dbraw/zinc/22/63/60/804226360.db2.gz FVSHKEVDLXYCKO-ZDUSSCGKSA-N 2 1 299.415 -0.161 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001325378059 804281191 /nfs/dbraw/zinc/28/11/91/804281191.db2.gz CYKSACISXBCQSH-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)CC[N@H+]1C ZINC001325371486 804281754 /nfs/dbraw/zinc/28/17/54/804281754.db2.gz XRKCUPBEBGJZRV-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC001325426629 804286818 /nfs/dbraw/zinc/28/68/18/804286818.db2.gz GPVNXGBSYBXSOT-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)CC1 ZINC001150192897 815020584 /nfs/dbraw/zinc/02/05/84/815020584.db2.gz JIRBECQLXCWXAH-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241556 815022187 /nfs/dbraw/zinc/02/21/87/815022187.db2.gz PXVKVFPSFYTLQK-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715405 815040518 /nfs/dbraw/zinc/04/05/18/815040518.db2.gz KJJFPRPHBNAXFQ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC001151056992 815054730 /nfs/dbraw/zinc/05/47/30/815054730.db2.gz PHMVPFRGZUKILJ-UWVGGRQHSA-N 2 1 297.321 -0.043 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCOCC(F)F)C1 ZINC001151055952 815055640 /nfs/dbraw/zinc/05/56/40/815055640.db2.gz IYGJSDPPDDJVQZ-SNVBAGLBSA-N 2 1 279.331 -0.074 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2cnns2)C1 ZINC001151065437 815056264 /nfs/dbraw/zinc/05/62/64/815056264.db2.gz JPHQLEVHDAEVTL-VIFPVBQESA-N 2 1 269.374 -0.304 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2cnns2)C1 ZINC001151065437 815056270 /nfs/dbraw/zinc/05/62/70/815056270.db2.gz JPHQLEVHDAEVTL-VIFPVBQESA-N 2 1 269.374 -0.304 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001151065406 815056423 /nfs/dbraw/zinc/05/64/23/815056423.db2.gz JBMFWJLLHYOCRR-SNVBAGLBSA-N 2 1 266.349 -0.729 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001151065406 815056430 /nfs/dbraw/zinc/05/64/30/815056430.db2.gz JBMFWJLLHYOCRR-SNVBAGLBSA-N 2 1 266.349 -0.729 20 0 CBADMP COc1cc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)on1 ZINC001151065942 815056461 /nfs/dbraw/zinc/05/64/61/815056461.db2.gz OLWICBKRKWUHQQ-SNVBAGLBSA-N 2 1 282.344 -0.159 20 0 CBADMP COc1cc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)on1 ZINC001151065942 815056467 /nfs/dbraw/zinc/05/64/67/815056467.db2.gz OLWICBKRKWUHQQ-SNVBAGLBSA-N 2 1 282.344 -0.159 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCOC[C@H]2CCCO2)C1 ZINC001151066738 815058127 /nfs/dbraw/zinc/05/81/27/815058127.db2.gz YIASEECULRFDDV-UONOGXRCSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCCN2CCCC2=O)C1 ZINC001151074561 815059083 /nfs/dbraw/zinc/05/90/83/815059083.db2.gz ZZMFBPMWIMKBQM-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001151115649 815061950 /nfs/dbraw/zinc/06/19/50/815061950.db2.gz ZKODYYBQAQETJX-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001151121498 815063505 /nfs/dbraw/zinc/06/35/05/815063505.db2.gz GYFAWVADJYRZNT-JTQLQIEISA-N 2 1 281.360 -0.626 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147561 815063728 /nfs/dbraw/zinc/06/37/28/815063728.db2.gz RFMNUWIVMDAUBL-LLVKDONJSA-N 2 1 295.387 -0.188 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001151147402 815063937 /nfs/dbraw/zinc/06/39/37/815063937.db2.gz MEGADJYQSODPKA-UHFFFAOYSA-N 2 1 279.344 -0.824 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001072544340 805311454 /nfs/dbraw/zinc/31/14/54/805311454.db2.gz JPBIDVSSUHEPHR-NWDGAFQWSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001072544340 805311462 /nfs/dbraw/zinc/31/14/62/805311462.db2.gz JPBIDVSSUHEPHR-NWDGAFQWSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001072544340 805311471 /nfs/dbraw/zinc/31/14/71/805311471.db2.gz JPBIDVSSUHEPHR-NWDGAFQWSA-N 2 1 294.399 -0.511 20 0 CBADMP CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001072551146 805311916 /nfs/dbraw/zinc/31/19/16/805311916.db2.gz BEQYJVGPUSJDJA-GFCCVEGCSA-N 2 1 294.399 -0.639 20 0 CBADMP CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001072551146 805311924 /nfs/dbraw/zinc/31/19/24/805311924.db2.gz BEQYJVGPUSJDJA-GFCCVEGCSA-N 2 1 294.399 -0.639 20 0 CBADMP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001072551146 805311932 /nfs/dbraw/zinc/31/19/32/805311932.db2.gz BEQYJVGPUSJDJA-GFCCVEGCSA-N 2 1 294.399 -0.639 20 0 CBADMP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001072551146 805311941 /nfs/dbraw/zinc/31/19/41/805311941.db2.gz BEQYJVGPUSJDJA-GFCCVEGCSA-N 2 1 294.399 -0.639 20 0 CBADMP C[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072553850 805312160 /nfs/dbraw/zinc/31/21/60/805312160.db2.gz LHLNRKFJFGNZPS-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001072553850 805312166 /nfs/dbraw/zinc/31/21/66/805312166.db2.gz LHLNRKFJFGNZPS-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001072553850 805312177 /nfs/dbraw/zinc/31/21/77/805312177.db2.gz LHLNRKFJFGNZPS-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578575 805314129 /nfs/dbraw/zinc/31/41/29/805314129.db2.gz MTOIUTNFTYBDHL-OLZOCXBDSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578575 805314138 /nfs/dbraw/zinc/31/41/38/805314138.db2.gz MTOIUTNFTYBDHL-OLZOCXBDSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072578575 805314146 /nfs/dbraw/zinc/31/41/46/805314146.db2.gz MTOIUTNFTYBDHL-OLZOCXBDSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072578575 805314153 /nfs/dbraw/zinc/31/41/53/805314153.db2.gz MTOIUTNFTYBDHL-OLZOCXBDSA-N 2 1 297.399 -0.768 20 0 CBADMP CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580537 805316323 /nfs/dbraw/zinc/31/63/23/805316323.db2.gz CQEPCHGMMLXETR-LBPRGKRZSA-N 2 1 267.373 -0.129 20 0 CBADMP CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580537 805316333 /nfs/dbraw/zinc/31/63/33/805316333.db2.gz CQEPCHGMMLXETR-LBPRGKRZSA-N 2 1 267.373 -0.129 20 0 CBADMP CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072580537 805316343 /nfs/dbraw/zinc/31/63/43/805316343.db2.gz CQEPCHGMMLXETR-LBPRGKRZSA-N 2 1 267.373 -0.129 20 0 CBADMP CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072580537 805316354 /nfs/dbraw/zinc/31/63/54/805316354.db2.gz CQEPCHGMMLXETR-LBPRGKRZSA-N 2 1 267.373 -0.129 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2)C1CC1 ZINC001072814378 805338711 /nfs/dbraw/zinc/33/87/11/805338711.db2.gz BWAULOULTQYJRT-ZDUSSCGKSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2)C1CC1 ZINC001072814378 805338717 /nfs/dbraw/zinc/33/87/17/805338717.db2.gz BWAULOULTQYJRT-ZDUSSCGKSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)CC1 ZINC001072941583 805350579 /nfs/dbraw/zinc/35/05/79/805350579.db2.gz XZEQJROVJXCHLE-UHFFFAOYSA-N 2 1 281.400 -0.145 20 0 CBADMP NC(=O)C[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073130491 805361641 /nfs/dbraw/zinc/36/16/41/805361641.db2.gz XCOUWOXMEYWHOM-UHFFFAOYSA-N 2 1 292.383 -0.898 20 0 CBADMP NC(=O)C[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073130491 805361648 /nfs/dbraw/zinc/36/16/48/805361648.db2.gz XCOUWOXMEYWHOM-UHFFFAOYSA-N 2 1 292.383 -0.898 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073430517 805370533 /nfs/dbraw/zinc/37/05/33/805370533.db2.gz GBENUJFAALGWDC-UHFFFAOYSA-N 2 1 267.373 -0.391 20 0 CBADMP CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073564445 805387023 /nfs/dbraw/zinc/38/70/23/805387023.db2.gz YSHBUWQNVIPPMH-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073564445 805387032 /nfs/dbraw/zinc/38/70/32/805387032.db2.gz YSHBUWQNVIPPMH-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073564445 805387042 /nfs/dbraw/zinc/38/70/42/805387042.db2.gz YSHBUWQNVIPPMH-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073564445 805387050 /nfs/dbraw/zinc/38/70/50/805387050.db2.gz YSHBUWQNVIPPMH-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CCO)[C@@H]2C)C1 ZINC001074878430 805475903 /nfs/dbraw/zinc/47/59/03/805475903.db2.gz VBZQPEUCCAKQIO-AGIUHOORSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001075042323 805481556 /nfs/dbraw/zinc/48/15/56/805481556.db2.gz KKOCVXHEIAEECE-TUAOUCFPSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCCOC2)C1 ZINC001151748373 815089624 /nfs/dbraw/zinc/08/96/24/815089624.db2.gz DREHSHYRYRSPGX-UONOGXRCSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCCOC2)C1 ZINC001151748373 815089632 /nfs/dbraw/zinc/08/96/32/815089632.db2.gz DREHSHYRYRSPGX-UONOGXRCSA-N 2 1 299.415 -0.161 20 0 CBADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001152137864 815106352 /nfs/dbraw/zinc/10/63/52/815106352.db2.gz QBUCSTFUMSONIF-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1nncn1C ZINC001152138828 815106439 /nfs/dbraw/zinc/10/64/39/815106439.db2.gz ZVVAGXNSCLQQQB-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152146394 815108620 /nfs/dbraw/zinc/10/86/20/815108620.db2.gz JICOLVZJSCPFDH-TXEJJXNPSA-N 2 1 284.404 -0.299 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)CC[NH+]2CCCCC2)nn1 ZINC001152340917 815116797 /nfs/dbraw/zinc/11/67/97/815116797.db2.gz ZRGYPERNPYEBDV-UHFFFAOYSA-N 2 1 294.403 -0.103 20 0 CBADMP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392321 815119366 /nfs/dbraw/zinc/11/93/66/815119366.db2.gz MIQZNAVUBDUXPT-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CCO)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152392321 815119367 /nfs/dbraw/zinc/11/93/67/815119367.db2.gz MIQZNAVUBDUXPT-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CCO)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152392321 815119370 /nfs/dbraw/zinc/11/93/70/815119370.db2.gz MIQZNAVUBDUXPT-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152431741 815120844 /nfs/dbraw/zinc/12/08/44/815120844.db2.gz CJIJNWQKXZGJQI-UHFFFAOYSA-N 2 1 286.420 -0.195 20 0 CBADMP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152439891 815120888 /nfs/dbraw/zinc/12/08/88/815120888.db2.gz UGTTWWCAURGNAK-GFCCVEGCSA-N 2 1 286.420 -0.053 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001152439214 815121034 /nfs/dbraw/zinc/12/10/34/815121034.db2.gz FOUHDWIBPDTGIP-UHFFFAOYSA-N 2 1 284.404 -0.441 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001152432106 815121068 /nfs/dbraw/zinc/12/10/68/815121068.db2.gz FUOMBRVIQCDICZ-LLVKDONJSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152432576 815121137 /nfs/dbraw/zinc/12/11/37/815121137.db2.gz LNEPYZGTMJVCII-JTQLQIEISA-N 2 1 258.366 -0.833 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152439833 815121195 /nfs/dbraw/zinc/12/11/95/815121195.db2.gz RYFQBCDYHVYPPL-UHFFFAOYSA-N 2 1 272.393 -0.489 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001152439898 815121271 /nfs/dbraw/zinc/12/12/71/815121271.db2.gz UNRTUAJVCGUOOV-UHFFFAOYSA-N 2 1 294.399 -0.069 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152439170 815121697 /nfs/dbraw/zinc/12/16/97/815121697.db2.gz CKUVACDWVYXDJI-UHFFFAOYSA-N 2 1 282.392 -0.156 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152439170 815121703 /nfs/dbraw/zinc/12/17/03/815121703.db2.gz CKUVACDWVYXDJI-UHFFFAOYSA-N 2 1 282.392 -0.156 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001152445583 815122940 /nfs/dbraw/zinc/12/29/40/815122940.db2.gz JZEIAQDDWFBESO-UHFFFAOYSA-N 2 1 297.359 -0.341 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC)C(N)=O ZINC001152458352 815124061 /nfs/dbraw/zinc/12/40/61/815124061.db2.gz NYTKJMXGZBHREO-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001152459119 815124074 /nfs/dbraw/zinc/12/40/74/815124074.db2.gz ZDADISFPNKRLRH-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@H+](CCOC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152557146 815129781 /nfs/dbraw/zinc/12/97/81/815129781.db2.gz RVTDLLYSWJNKRI-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@@H+](CCOC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152557146 815129785 /nfs/dbraw/zinc/12/97/85/815129785.db2.gz RVTDLLYSWJNKRI-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCOC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152557146 815129792 /nfs/dbraw/zinc/12/97/92/815129792.db2.gz RVTDLLYSWJNKRI-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCOC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152557146 815129795 /nfs/dbraw/zinc/12/97/95/815129795.db2.gz RVTDLLYSWJNKRI-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153388238 815160662 /nfs/dbraw/zinc/16/06/62/815160662.db2.gz XPBRITRROVJCEY-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153388238 815160666 /nfs/dbraw/zinc/16/06/66/815160666.db2.gz XPBRITRROVJCEY-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC(=O)NC)[NH+](C)C ZINC001154001885 815193107 /nfs/dbraw/zinc/19/31/07/815193107.db2.gz YNIHGDSJITXZPG-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)NC)[NH+](C)C ZINC001154001885 815193110 /nfs/dbraw/zinc/19/31/10/815193110.db2.gz YNIHGDSJITXZPG-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898261 815247261 /nfs/dbraw/zinc/24/72/61/815247261.db2.gz DLIHHDYAQZWAFM-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898261 815247264 /nfs/dbraw/zinc/24/72/64/815247264.db2.gz DLIHHDYAQZWAFM-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999720 815256327 /nfs/dbraw/zinc/25/63/27/815256327.db2.gz LOLHVXGHSRGZHJ-CHWSQXEVSA-N 2 1 289.420 -0.228 20 0 CBADMP C[NH+]1CCN(c2ccc(-n3nccc3C[NH3+])nn2)CC1 ZINC001155123867 815264667 /nfs/dbraw/zinc/26/46/67/815264667.db2.gz MEUIYXGZPWRVIW-UHFFFAOYSA-N 2 1 273.344 -0.127 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001155790695 815311217 /nfs/dbraw/zinc/31/12/17/815311217.db2.gz MGEPWDOETMRYRR-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP CCn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155789924 815311673 /nfs/dbraw/zinc/31/16/73/815311673.db2.gz HXUCIPQSQJRDTB-LBPRGKRZSA-N 2 1 294.403 -0.012 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001155803214 815312487 /nfs/dbraw/zinc/31/24/87/815312487.db2.gz YWFLFQDJUQCIHK-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155812877 815314255 /nfs/dbraw/zinc/31/42/55/815314255.db2.gz OTGACXBUVUIZJO-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001155822603 815314299 /nfs/dbraw/zinc/31/42/99/815314299.db2.gz VSFYOQZCAQTTKW-AAEUAGOBSA-N 2 1 296.415 -0.156 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155812878 815314908 /nfs/dbraw/zinc/31/49/08/815314908.db2.gz OTGACXBUVUIZJO-MNOVXSKESA-N 2 1 270.377 -0.689 20 0 CBADMP CCOCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156125925 815338677 /nfs/dbraw/zinc/33/86/77/815338677.db2.gz QKDCQDNASIJJIN-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP CCOCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156125925 815338683 /nfs/dbraw/zinc/33/86/83/815338683.db2.gz QKDCQDNASIJJIN-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCCOC2)C1 ZINC001156144205 815340231 /nfs/dbraw/zinc/34/02/31/815340231.db2.gz BLXXYHOCIXBYTC-KBPBESRZSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCCOC2)C1 ZINC001156144205 815340237 /nfs/dbraw/zinc/34/02/37/815340237.db2.gz BLXXYHOCIXBYTC-KBPBESRZSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2cnns2)C1 ZINC001156152428 815341537 /nfs/dbraw/zinc/34/15/37/815341537.db2.gz QOHRRJWBAUFVMD-NSHDSACASA-N 2 1 299.400 -0.535 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2cnns2)C1 ZINC001156152428 815341544 /nfs/dbraw/zinc/34/15/44/815341544.db2.gz QOHRRJWBAUFVMD-NSHDSACASA-N 2 1 299.400 -0.535 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086271905 810253569 /nfs/dbraw/zinc/25/35/69/810253569.db2.gz OCUYRVLWDUCHTA-NDBYEHHHSA-N 2 1 269.389 -0.197 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001086277133 810255300 /nfs/dbraw/zinc/25/53/00/810255300.db2.gz SQTFVEYEPFGCKR-MQYQWHSLSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001086277133 810255304 /nfs/dbraw/zinc/25/53/04/810255304.db2.gz SQTFVEYEPFGCKR-MQYQWHSLSA-N 2 1 299.415 -0.428 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086327432 810260575 /nfs/dbraw/zinc/26/05/75/810260575.db2.gz DUZZJJKOQIZKMI-CYDGBPFRSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001086402220 810267125 /nfs/dbraw/zinc/26/71/25/810267125.db2.gz MUIDTEIIVKIPCB-CYDGBPFRSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086476801 810274387 /nfs/dbraw/zinc/27/43/87/810274387.db2.gz DUZDDLLIMKLGNY-ZDEQEGDKSA-N 2 1 269.389 -0.339 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001086551530 810278554 /nfs/dbraw/zinc/27/85/54/810278554.db2.gz DKELJUMRICMOOM-CYDGBPFRSA-N 2 1 296.415 -0.314 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCO)C2)C1 ZINC001086875549 810287992 /nfs/dbraw/zinc/28/79/92/810287992.db2.gz XETVESPIOHTYPK-RWMBFGLXSA-N 2 1 269.389 -0.195 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(N)=O ZINC001087711652 810304359 /nfs/dbraw/zinc/30/43/59/810304359.db2.gz PTIZQDXLFPQJMW-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(N)=O ZINC001087711652 810304366 /nfs/dbraw/zinc/30/43/66/810304366.db2.gz PTIZQDXLFPQJMW-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1)[NH+](C)C ZINC001088109422 810321451 /nfs/dbraw/zinc/32/14/51/810321451.db2.gz DURNCLPFYOBWGM-AGIUHOORSA-N 2 1 296.415 -0.408 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCO)C2)C1 ZINC001088287948 810325534 /nfs/dbraw/zinc/32/55/34/810325534.db2.gz IQCCNQFNCGSWHJ-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCO)C2)C1 ZINC001088287948 810325539 /nfs/dbraw/zinc/32/55/39/810325539.db2.gz IQCCNQFNCGSWHJ-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001088425150 810330267 /nfs/dbraw/zinc/33/02/67/810330267.db2.gz OKUSMLMSCHASBC-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CCO ZINC001088493794 810335226 /nfs/dbraw/zinc/33/52/26/810335226.db2.gz YVCGDNFJULHVQS-GRYCIOLGSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CCO ZINC001088493794 810335224 /nfs/dbraw/zinc/33/52/24/810335224.db2.gz YVCGDNFJULHVQS-GRYCIOLGSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CCO ZINC001088493794 810335229 /nfs/dbraw/zinc/33/52/29/810335229.db2.gz YVCGDNFJULHVQS-GRYCIOLGSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CCO ZINC001088493794 810335231 /nfs/dbraw/zinc/33/52/31/810335231.db2.gz YVCGDNFJULHVQS-GRYCIOLGSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(N)=O ZINC001088571567 810344987 /nfs/dbraw/zinc/34/49/87/810344987.db2.gz FNFXTESRIYJXDO-RTXFEEFZSA-N 2 1 294.399 -0.608 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(N)=O ZINC001088571567 810344994 /nfs/dbraw/zinc/34/49/94/810344994.db2.gz FNFXTESRIYJXDO-RTXFEEFZSA-N 2 1 294.399 -0.608 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCO)[C@@H]1C ZINC001088750563 810353012 /nfs/dbraw/zinc/35/30/12/810353012.db2.gz UGMJLTIFNGQKCC-NEPJUHHUSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCO)[C@@H]1C ZINC001088750563 810353030 /nfs/dbraw/zinc/35/30/30/810353030.db2.gz UGMJLTIFNGQKCC-NEPJUHHUSA-N 2 1 266.345 -0.237 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCO)[C@@H]2C)C1 ZINC001088859380 810364375 /nfs/dbraw/zinc/36/43/75/810364375.db2.gz APXHEDVMNOKKPU-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCO)[C@@H]2C)C1 ZINC001088859380 810364377 /nfs/dbraw/zinc/36/43/77/810364377.db2.gz APXHEDVMNOKKPU-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCO)[C@@H]2C)C1 ZINC001088859380 810364382 /nfs/dbraw/zinc/36/43/82/810364382.db2.gz APXHEDVMNOKKPU-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(N)=O ZINC001088980561 810371148 /nfs/dbraw/zinc/37/11/48/810371148.db2.gz LIAQRMZHPPIAQD-WOPDTQHZSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(N)=O ZINC001088980561 810371166 /nfs/dbraw/zinc/37/11/66/810371166.db2.gz LIAQRMZHPPIAQD-WOPDTQHZSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(N)=O ZINC001088980561 810371173 /nfs/dbraw/zinc/37/11/73/810371173.db2.gz LIAQRMZHPPIAQD-WOPDTQHZSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(N)=O ZINC001088980561 810371179 /nfs/dbraw/zinc/37/11/79/810371179.db2.gz LIAQRMZHPPIAQD-WOPDTQHZSA-N 2 1 282.388 -0.608 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001088981030 810372154 /nfs/dbraw/zinc/37/21/54/810372154.db2.gz ZNMRVSRRZQNSQE-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001088981030 810372156 /nfs/dbraw/zinc/37/21/56/810372156.db2.gz ZNMRVSRRZQNSQE-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001088981030 810372162 /nfs/dbraw/zinc/37/21/62/810372162.db2.gz ZNMRVSRRZQNSQE-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001088981030 810372167 /nfs/dbraw/zinc/37/21/67/810372167.db2.gz ZNMRVSRRZQNSQE-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CCO ZINC001089039145 810374929 /nfs/dbraw/zinc/37/49/29/810374929.db2.gz XYZFLSBHVPWJAN-WOPDTQHZSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CCO ZINC001089039145 810374937 /nfs/dbraw/zinc/37/49/37/810374937.db2.gz XYZFLSBHVPWJAN-WOPDTQHZSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCO ZINC001089039145 810374944 /nfs/dbraw/zinc/37/49/44/810374944.db2.gz XYZFLSBHVPWJAN-WOPDTQHZSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCO)[C@@H]2C)C1 ZINC001089050164 810377004 /nfs/dbraw/zinc/37/70/04/810377004.db2.gz UNOZSWVORAWLBG-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCO)[C@@H]2C)C1 ZINC001089050164 810377010 /nfs/dbraw/zinc/37/70/10/810377010.db2.gz UNOZSWVORAWLBG-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCO)[C@@H]2C)C1 ZINC001089050164 810377015 /nfs/dbraw/zinc/37/70/15/810377015.db2.gz UNOZSWVORAWLBG-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCO)[C@@H]2C)C1 ZINC001089050164 810377019 /nfs/dbraw/zinc/37/70/19/810377019.db2.gz UNOZSWVORAWLBG-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001156621047 815370315 /nfs/dbraw/zinc/37/03/15/815370315.db2.gz RVEXZWSKYRMXOU-UHFFFAOYSA-N 2 1 291.746 -0.100 20 0 CBADMP Cc1cnc(-n2cnc(C[NH3+])cc2=N)nc1C1C[NH2+]C1 ZINC001156628421 815371525 /nfs/dbraw/zinc/37/15/25/815371525.db2.gz RZSUBTPNONPIBW-UHFFFAOYSA-N 2 1 271.328 -0.404 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CCO)C[C@H]2O)C1 ZINC001090572664 810526977 /nfs/dbraw/zinc/52/69/77/810526977.db2.gz HVHOQFBZOBJXIK-CHWSQXEVSA-N 2 1 299.415 -0.738 20 0 CBADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)C1 ZINC001090572664 810526984 /nfs/dbraw/zinc/52/69/84/810526984.db2.gz HVHOQFBZOBJXIK-CHWSQXEVSA-N 2 1 299.415 -0.738 20 0 CBADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)C1 ZINC001090572664 810526993 /nfs/dbraw/zinc/52/69/93/810526993.db2.gz HVHOQFBZOBJXIK-CHWSQXEVSA-N 2 1 299.415 -0.738 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090814494 810570347 /nfs/dbraw/zinc/57/03/47/810570347.db2.gz JSNSRUTXHZJLMN-CHWSQXEVSA-N 2 1 285.388 -0.984 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090818964 810572991 /nfs/dbraw/zinc/57/29/91/810572991.db2.gz YMVNWPBMBISJIP-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP 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 810635926 /nfs/dbraw/zinc/63/59/26/810635926.db2.gz CWUSZJGYLUQWOU-FDYHWXHSSA-N 2 1 296.415 -0.504 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)C[C@H]2C)CC[N@@H+]1C ZINC001092620347 810635930 /nfs/dbraw/zinc/63/59/30/810635930.db2.gz CWUSZJGYLUQWOU-FDYHWXHSSA-N 2 1 296.415 -0.504 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)C[C@H]2C)CC[N@H+]1C ZINC001092620347 810635935 /nfs/dbraw/zinc/63/59/35/810635935.db2.gz CWUSZJGYLUQWOU-FDYHWXHSSA-N 2 1 296.415 -0.504 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCO)C[C@H]2C)C1 ZINC001093212686 810648565 /nfs/dbraw/zinc/64/85/65/810648565.db2.gz PFWRCFAQAMDTSI-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCO)C[C@H]2C)C1 ZINC001093212686 810648569 /nfs/dbraw/zinc/64/85/69/810648569.db2.gz PFWRCFAQAMDTSI-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CCO)C[C@H]2C)C1 ZINC001093212686 810648575 /nfs/dbraw/zinc/64/85/75/810648575.db2.gz PFWRCFAQAMDTSI-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2C)C1 ZINC001093212686 810648579 /nfs/dbraw/zinc/64/85/79/810648579.db2.gz PFWRCFAQAMDTSI-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP Nc1[nH]c2ccc(C(=O)NC3(C[NH3+])COC3)cc2[nH+]1 ZINC001156979706 815394649 /nfs/dbraw/zinc/39/46/49/815394649.db2.gz YKQXILMHQFQSRP-UHFFFAOYSA-N 2 1 261.285 -0.397 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)O1 ZINC001095611085 810756039 /nfs/dbraw/zinc/75/60/39/810756039.db2.gz CEPMJZVBJJPQPP-PEBLQZBPSA-N 2 1 297.399 -0.581 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)O1 ZINC001095611085 810756055 /nfs/dbraw/zinc/75/60/55/810756055.db2.gz CEPMJZVBJJPQPP-PEBLQZBPSA-N 2 1 297.399 -0.581 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)O1 ZINC001095611085 810756062 /nfs/dbraw/zinc/75/60/62/810756062.db2.gz CEPMJZVBJJPQPP-PEBLQZBPSA-N 2 1 297.399 -0.581 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)O1 ZINC001095611085 810756067 /nfs/dbraw/zinc/75/60/67/810756067.db2.gz CEPMJZVBJJPQPP-PEBLQZBPSA-N 2 1 297.399 -0.581 20 0 CBADMP CNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001096886045 810789340 /nfs/dbraw/zinc/78/93/40/810789340.db2.gz FLRCFJJLKPHHHE-NDBYEHHHSA-N 2 1 294.399 -0.452 20 0 CBADMP CNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C)C2 ZINC001096886045 810789347 /nfs/dbraw/zinc/78/93/47/810789347.db2.gz FLRCFJJLKPHHHE-NDBYEHHHSA-N 2 1 294.399 -0.452 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001157006829 815399222 /nfs/dbraw/zinc/39/92/22/815399222.db2.gz QAHDHFHTAKWIMK-NSHDSACASA-N 2 1 255.362 -0.084 20 0 CBADMP CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001157081875 815403868 /nfs/dbraw/zinc/40/38/68/815403868.db2.gz DIMBDQOTWLOLMP-QWRGUYRKSA-N 2 1 297.359 -0.934 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CCCO)C[C@@H]1O)C1CCC1 ZINC001099879960 810959164 /nfs/dbraw/zinc/95/91/64/810959164.db2.gz SLVWHZKEBZJZQW-KBPBESRZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+](CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)C1CCC1 ZINC001099879960 810959167 /nfs/dbraw/zinc/95/91/67/810959167.db2.gz SLVWHZKEBZJZQW-KBPBESRZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O)C1CCC1 ZINC001099879960 810959170 /nfs/dbraw/zinc/95/91/70/810959170.db2.gz SLVWHZKEBZJZQW-KBPBESRZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CCO)C[C@@H]1O)C1CCC1 ZINC001099879317 810960519 /nfs/dbraw/zinc/96/05/19/810960519.db2.gz IRKWAHARZVCYKA-OLZOCXBDSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)C1CCC1 ZINC001099879317 810960522 /nfs/dbraw/zinc/96/05/22/810960522.db2.gz IRKWAHARZVCYKA-OLZOCXBDSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O)C1CCC1 ZINC001099879317 810960525 /nfs/dbraw/zinc/96/05/25/810960525.db2.gz IRKWAHARZVCYKA-OLZOCXBDSA-N 2 1 285.388 -0.986 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC)C[C@H]1O ZINC001100064198 811010271 /nfs/dbraw/zinc/01/02/71/811010271.db2.gz JUMSQCIIPUXPBH-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC)C[C@H]1O ZINC001100064198 811010279 /nfs/dbraw/zinc/01/02/79/811010279.db2.gz JUMSQCIIPUXPBH-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC)C[C@H]1O ZINC001100064198 811010285 /nfs/dbraw/zinc/01/02/85/811010285.db2.gz JUMSQCIIPUXPBH-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001100077018 811014499 /nfs/dbraw/zinc/01/44/99/811014499.db2.gz WQQVYLZZPDMSGV-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076528 811014604 /nfs/dbraw/zinc/01/46/04/811014604.db2.gz MQDZTXUPVRSLRD-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCO)C[C@@H]1O ZINC001100083263 811016258 /nfs/dbraw/zinc/01/62/58/811016258.db2.gz PETPVYGRKPPADL-STQMWFEESA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100083263 811016265 /nfs/dbraw/zinc/01/62/65/811016265.db2.gz PETPVYGRKPPADL-STQMWFEESA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100083263 811016275 /nfs/dbraw/zinc/01/62/75/811016275.db2.gz PETPVYGRKPPADL-STQMWFEESA-N 2 1 287.404 -0.738 20 0 CBADMP CCOCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109185 811023442 /nfs/dbraw/zinc/02/34/42/811023442.db2.gz AOZKJCVHVKKDBL-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100124261 811024500 /nfs/dbraw/zinc/02/45/00/811024500.db2.gz FSAHYFSFICUMCH-ZIAGYGMSSA-N 2 1 299.415 -0.594 20 0 CBADMP CNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100409958 811056292 /nfs/dbraw/zinc/05/62/92/811056292.db2.gz SDBPEXUVUCAKLA-UHFFFAOYSA-N 2 1 296.415 -0.299 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001100681053 811071834 /nfs/dbraw/zinc/07/18/34/811071834.db2.gz TVOMSCUNPKZOQC-UHFFFAOYSA-N 2 1 296.415 -0.312 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001100829609 811081574 /nfs/dbraw/zinc/08/15/74/811081574.db2.gz CMTUPHCMXPKOPS-BPCQOVAHSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC)C1 ZINC001100831426 811081811 /nfs/dbraw/zinc/08/18/11/811081811.db2.gz VMNAHJMOTBQUQI-HIFPTAJRSA-N 2 1 298.431 -0.053 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001100901615 811084214 /nfs/dbraw/zinc/08/42/14/811084214.db2.gz FFZPKADGAQJQEQ-BPCQOVAHSA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101352156 811104796 /nfs/dbraw/zinc/10/47/96/811104796.db2.gz UZUUOZQYQIMQDG-RISCZKNCSA-N 2 1 282.388 -0.796 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001102104379 811145484 /nfs/dbraw/zinc/14/54/84/811145484.db2.gz SNWUXUFOEJKTDT-VXGBXAGGSA-N 2 1 298.431 -0.114 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001102104379 811145492 /nfs/dbraw/zinc/14/54/92/811145492.db2.gz SNWUXUFOEJKTDT-VXGBXAGGSA-N 2 1 298.431 -0.114 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102104379 811145501 /nfs/dbraw/zinc/14/55/01/811145501.db2.gz SNWUXUFOEJKTDT-VXGBXAGGSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047696 811146766 /nfs/dbraw/zinc/14/67/66/811146766.db2.gz QBZXLJGBYJWMMC-MPKXVKKWSA-N 2 1 296.415 -0.504 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(N)=O)C[C@H]2C)C1 ZINC001102369776 811153322 /nfs/dbraw/zinc/15/33/22/811153322.db2.gz GTLACLLAYOGJDJ-JHJVBQTASA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)C1 ZINC001102369776 811153330 /nfs/dbraw/zinc/15/33/30/811153330.db2.gz GTLACLLAYOGJDJ-JHJVBQTASA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)C1 ZINC001102369776 811153336 /nfs/dbraw/zinc/15/33/36/811153336.db2.gz GTLACLLAYOGJDJ-JHJVBQTASA-N 2 1 296.415 -0.502 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579825 811161209 /nfs/dbraw/zinc/16/12/09/811161209.db2.gz RJGHIHNUXDWJDB-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CCOC(=O)c1cn[nH]c1CNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001157439285 815433805 /nfs/dbraw/zinc/43/38/05/815433805.db2.gz COFSMALXJPNAMY-SECBINFHSA-N 2 1 283.332 -0.731 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCCO ZINC001105973744 811284415 /nfs/dbraw/zinc/28/44/15/811284415.db2.gz ACJYGSJKWGEYIB-MCIONIFRSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCCO ZINC001105973744 811284418 /nfs/dbraw/zinc/28/44/18/811284418.db2.gz ACJYGSJKWGEYIB-MCIONIFRSA-N 2 1 299.415 -0.617 20 0 CBADMP Cc1cc(NC[C@@H](O)CNC(=O)CC[NH+](C)C)nc(C)[nH+]1 ZINC001106085305 811294318 /nfs/dbraw/zinc/29/43/18/811294318.db2.gz QPAHOTNDNVCKEC-GFCCVEGCSA-N 2 1 295.387 -0.066 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106254934 811303999 /nfs/dbraw/zinc/30/39/99/811303999.db2.gz BUMLWMAWSPQTNM-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)C1 ZINC001106666806 811313889 /nfs/dbraw/zinc/31/38/89/811313889.db2.gz WIVQEBBODQURKJ-JHJVBQTASA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106981710 811321438 /nfs/dbraw/zinc/32/14/38/811321438.db2.gz ZXTAOOIJBPANGK-IJLUTSLNSA-N 2 1 282.388 -0.893 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106986455 811321644 /nfs/dbraw/zinc/32/16/44/811321644.db2.gz PWGJKIICWOQSTC-ZYHUDNBSSA-N 2 1 293.371 -0.639 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[NH+](CCO)CCO2)CC[N@@H+]1C ZINC001107954615 811400726 /nfs/dbraw/zinc/40/07/26/811400726.db2.gz SOIXSPXGRRCYLK-UMVBOHGHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[NH+](CCO)CCO2)CC[N@H+]1C ZINC001107954615 811400730 /nfs/dbraw/zinc/40/07/30/811400730.db2.gz SOIXSPXGRRCYLK-UMVBOHGHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)CC[NH+]1C ZINC001107954615 811400734 /nfs/dbraw/zinc/40/07/34/811400734.db2.gz SOIXSPXGRRCYLK-UMVBOHGHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)CC[NH+]1C ZINC001107954615 811400737 /nfs/dbraw/zinc/40/07/37/811400737.db2.gz SOIXSPXGRRCYLK-UMVBOHGHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182504 811420246 /nfs/dbraw/zinc/42/02/46/811420246.db2.gz JYEATGYKMISQCH-TZMCWYRMSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182504 811420252 /nfs/dbraw/zinc/42/02/52/811420252.db2.gz JYEATGYKMISQCH-TZMCWYRMSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108342472 811439699 /nfs/dbraw/zinc/43/96/99/811439699.db2.gz GTBKOGGTNPPOIP-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108342472 811439704 /nfs/dbraw/zinc/43/97/04/811439704.db2.gz GTBKOGGTNPPOIP-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)C1 ZINC001108342472 811439709 /nfs/dbraw/zinc/43/97/09/811439709.db2.gz GTBKOGGTNPPOIP-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)C1 ZINC001108342472 811439713 /nfs/dbraw/zinc/43/97/13/811439713.db2.gz GTBKOGGTNPPOIP-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@]2(C)C[NH+](CCCO)CCO2)C1 ZINC001108395927 811443710 /nfs/dbraw/zinc/44/37/10/811443710.db2.gz XCUNCKYXAMVRIL-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@]2(C)C[NH+](CCCO)CCO2)C1 ZINC001108395927 811443718 /nfs/dbraw/zinc/44/37/18/811443718.db2.gz XCUNCKYXAMVRIL-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(C)C[N@H+](CCCO)CCO2)C1 ZINC001108395927 811443724 /nfs/dbraw/zinc/44/37/24/811443724.db2.gz XCUNCKYXAMVRIL-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(C)C[N@@H+](CCCO)CCO2)C1 ZINC001108395927 811443727 /nfs/dbraw/zinc/44/37/27/811443727.db2.gz XCUNCKYXAMVRIL-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC(=O)N(C2C[NH+](CC)C2)C1)[NH+](C)C ZINC001108553546 811458476 /nfs/dbraw/zinc/45/84/76/811458476.db2.gz OSHBAYYLNKQJPF-WCQYABFASA-N 2 1 296.415 -0.252 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CC)C2)C1 ZINC001108581672 811459226 /nfs/dbraw/zinc/45/92/26/811459226.db2.gz WPVWKQOVGMZMDT-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001109672396 811499683 /nfs/dbraw/zinc/49/96/83/811499683.db2.gz DFMFYGIINDGNPP-WOPDTQHZSA-N 2 1 255.362 -0.348 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(N)=O ZINC001110157152 811509802 /nfs/dbraw/zinc/50/98/02/811509802.db2.gz LHPYOPIURCSMCA-NDBYEHHHSA-N 2 1 296.415 -0.078 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(N)=O ZINC001110157152 811509808 /nfs/dbraw/zinc/50/98/08/811509808.db2.gz LHPYOPIURCSMCA-NDBYEHHHSA-N 2 1 296.415 -0.078 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(N)=O ZINC001110157152 811509817 /nfs/dbraw/zinc/50/98/17/811509817.db2.gz LHPYOPIURCSMCA-NDBYEHHHSA-N 2 1 296.415 -0.078 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(N)=O ZINC001110157152 811509826 /nfs/dbraw/zinc/50/98/26/811509826.db2.gz LHPYOPIURCSMCA-NDBYEHHHSA-N 2 1 296.415 -0.078 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157702180 815454591 /nfs/dbraw/zinc/45/45/91/815454591.db2.gz NUMYUPHRVZBQFZ-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157702180 815454593 /nfs/dbraw/zinc/45/45/93/815454593.db2.gz NUMYUPHRVZBQFZ-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001157702180 815454596 /nfs/dbraw/zinc/45/45/96/815454596.db2.gz NUMYUPHRVZBQFZ-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001157702180 815454598 /nfs/dbraw/zinc/45/45/98/815454598.db2.gz NUMYUPHRVZBQFZ-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959280 811534404 /nfs/dbraw/zinc/53/44/04/811534404.db2.gz HXNXEIBMFGOHAE-LPWJVIDDSA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959280 811534410 /nfs/dbraw/zinc/53/44/10/811534410.db2.gz HXNXEIBMFGOHAE-LPWJVIDDSA-N 2 1 296.415 -0.077 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001110981442 811535945 /nfs/dbraw/zinc/53/59/45/811535945.db2.gz QFQPAMQRFNTSNZ-FVCCEPFGSA-N 2 1 294.399 -0.452 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001110981442 811535953 /nfs/dbraw/zinc/53/59/53/811535953.db2.gz QFQPAMQRFNTSNZ-FVCCEPFGSA-N 2 1 294.399 -0.452 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(N)=O ZINC001111309734 811542834 /nfs/dbraw/zinc/54/28/34/811542834.db2.gz WRFUZMAEPFYKPC-LPWJVIDDSA-N 2 1 296.415 -0.077 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(N)=O ZINC001111309734 811542838 /nfs/dbraw/zinc/54/28/38/811542838.db2.gz WRFUZMAEPFYKPC-LPWJVIDDSA-N 2 1 296.415 -0.077 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(N)=O ZINC001111309734 811542844 /nfs/dbraw/zinc/54/28/44/811542844.db2.gz WRFUZMAEPFYKPC-LPWJVIDDSA-N 2 1 296.415 -0.077 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(N)=O ZINC001111309734 811542849 /nfs/dbraw/zinc/54/28/49/811542849.db2.gz WRFUZMAEPFYKPC-LPWJVIDDSA-N 2 1 296.415 -0.077 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(N)=O ZINC001111464193 811549651 /nfs/dbraw/zinc/54/96/51/811549651.db2.gz LHPYOPIURCSMCA-LOWDOPEQSA-N 2 1 296.415 -0.078 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(N)=O ZINC001111464193 811549661 /nfs/dbraw/zinc/54/96/61/811549661.db2.gz LHPYOPIURCSMCA-LOWDOPEQSA-N 2 1 296.415 -0.078 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(N)=O ZINC001111464193 811549670 /nfs/dbraw/zinc/54/96/70/811549670.db2.gz LHPYOPIURCSMCA-LOWDOPEQSA-N 2 1 296.415 -0.078 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(N)=O ZINC001111464193 811549672 /nfs/dbraw/zinc/54/96/72/811549672.db2.gz LHPYOPIURCSMCA-LOWDOPEQSA-N 2 1 296.415 -0.078 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC(F)(F)CC[C@@H]1CO ZINC001157730216 815457848 /nfs/dbraw/zinc/45/78/48/815457848.db2.gz JKRQLRLRAFLIOM-SFYZADRCSA-N 2 1 251.277 -0.719 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC(F)(F)CC[C@H]1CO ZINC001157730404 815458589 /nfs/dbraw/zinc/45/85/89/815458589.db2.gz KNRMWNONFOSYTD-NSHDSACASA-N 2 1 291.342 -0.053 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC[C@@H](F)C(=O)C1 ZINC001157731232 815459400 /nfs/dbraw/zinc/45/94/00/815459400.db2.gz WWYUJLUFZFXHFR-LLVKDONJSA-N 2 1 271.336 -0.142 20 0 CBADMP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001112864864 811605231 /nfs/dbraw/zinc/60/52/31/811605231.db2.gz HCVKZNWDDMFOSP-HZSPNIEDSA-N 2 1 299.415 -0.522 20 0 CBADMP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001112864864 811605224 /nfs/dbraw/zinc/60/52/24/811605224.db2.gz HCVKZNWDDMFOSP-HZSPNIEDSA-N 2 1 299.415 -0.522 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001157745235 815461422 /nfs/dbraw/zinc/46/14/22/815461422.db2.gz MWMLRFMPUNPTCK-JFGNBEQYSA-N 2 1 258.341 -0.645 20 0 CBADMP COC(=O)[C@H]1C[N@H+](C)CCN1c1cc2c(nn1)CC[NH2+]C2 ZINC001157772983 815464131 /nfs/dbraw/zinc/46/41/31/815464131.db2.gz KBHKGFZJZAIYCU-GFCCVEGCSA-N 2 1 291.355 -0.584 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](C)CCN1c1cc2c(nn1)CC[NH2+]C2 ZINC001157772983 815464132 /nfs/dbraw/zinc/46/41/32/815464132.db2.gz KBHKGFZJZAIYCU-GFCCVEGCSA-N 2 1 291.355 -0.584 20 0 CBADMP COC(=O)[C@H]1C[N@H+](C)CCN1c1cc(C2C[NH2+]C2)ncn1 ZINC001157781514 815465591 /nfs/dbraw/zinc/46/55/91/815465591.db2.gz UHCIMKKZLGAXSS-GFCCVEGCSA-N 2 1 291.355 -0.543 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](C)CCN1c1cc(C2C[NH2+]C2)ncn1 ZINC001157781514 815465593 /nfs/dbraw/zinc/46/55/93/815465593.db2.gz UHCIMKKZLGAXSS-GFCCVEGCSA-N 2 1 291.355 -0.543 20 0 CBADMP COC[C@@H](C)[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113545529 811647109 /nfs/dbraw/zinc/64/71/09/811647109.db2.gz UQPYATKPWCGSNW-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP COC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001113629615 811651506 /nfs/dbraw/zinc/65/15/06/811651506.db2.gz QCJCWZWLQWOKNO-CHWSQXEVSA-N 2 1 285.388 -0.910 20 0 CBADMP COC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113629615 811651510 /nfs/dbraw/zinc/65/15/10/811651510.db2.gz QCJCWZWLQWOKNO-CHWSQXEVSA-N 2 1 285.388 -0.910 20 0 CBADMP [NH3+]C[C@]1(F)CCCN(C(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001157753866 815463230 /nfs/dbraw/zinc/46/32/30/815463230.db2.gz GVLNCOQGCJHBQH-YPMHNXCESA-N 2 1 273.352 -0.268 20 0 CBADMP C[C@@H]1CCN(C(=O)CN2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC001157798676 815468571 /nfs/dbraw/zinc/46/85/71/815468571.db2.gz FUCWGIAJFUPBIW-NEPJUHHUSA-N 2 1 254.378 -0.571 20 0 CBADMP C[C@@H]1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C[C@@H]1[NH3+] ZINC001157798895 815468700 /nfs/dbraw/zinc/46/87/00/815468700.db2.gz GLIKDXYBSCTIQR-HMUNZLOLSA-N 2 1 252.362 -0.596 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114042068 811711390 /nfs/dbraw/zinc/71/13/90/811711390.db2.gz WFDPBHCZGKLMPB-CZXHOFHRSA-N 2 1 294.399 -0.737 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114042068 811711393 /nfs/dbraw/zinc/71/13/93/811711393.db2.gz WFDPBHCZGKLMPB-CZXHOFHRSA-N 2 1 294.399 -0.737 20 0 CBADMP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001114042068 811711395 /nfs/dbraw/zinc/71/13/95/811711395.db2.gz WFDPBHCZGKLMPB-CZXHOFHRSA-N 2 1 294.399 -0.737 20 0 CBADMP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001114042068 811711400 /nfs/dbraw/zinc/71/14/00/811711400.db2.gz WFDPBHCZGKLMPB-CZXHOFHRSA-N 2 1 294.399 -0.737 20 0 CBADMP C[C@@H]1CCN(C(=O)c2cc3n(n2)CC[NH2+]C3)C[C@@H]1[NH3+] ZINC001157828438 815469439 /nfs/dbraw/zinc/46/94/39/815469439.db2.gz DQAPGCZRZDDWRJ-KOLCDFICSA-N 2 1 263.345 -0.204 20 0 CBADMP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001157844300 815470615 /nfs/dbraw/zinc/47/06/15/815470615.db2.gz VWXOMMRBBJAHRM-CKYFFXLPSA-N 2 1 265.361 -0.135 20 0 CBADMP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157842421 815471158 /nfs/dbraw/zinc/47/11/58/815471158.db2.gz LHBYEIUXWIDOGR-VXGBXAGGSA-N 3 1 268.405 -0.086 20 0 CBADMP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)C1CC1 ZINC001114409535 811747613 /nfs/dbraw/zinc/74/76/13/811747613.db2.gz MJIGKASUMOTORT-LOWDOPEQSA-N 2 1 267.373 -0.635 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001157887182 815476964 /nfs/dbraw/zinc/47/69/64/815476964.db2.gz SCKIZSVLVGQYSA-NEPJUHHUSA-N 2 1 284.404 -0.171 20 0 CBADMP [NH3+]Cc1ncn(-c2nccc(C3CC[NH2+]CC3)n2)n1 ZINC001157927817 815484484 /nfs/dbraw/zinc/48/44/84/815484484.db2.gz BIMVTTLVJGZFGN-UHFFFAOYSA-N 2 1 259.317 -0.017 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCc2cc3c(cc2C1)OCO3 ZINC001157983605 815494732 /nfs/dbraw/zinc/49/47/32/815494732.db2.gz QYBABFCHSDHMLY-NSHDSACASA-N 2 1 277.324 -0.024 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158029235 815499674 /nfs/dbraw/zinc/49/96/74/815499674.db2.gz GTSTXENVLAHXQO-OLZOCXBDSA-N 2 1 296.415 -0.297 20 0 CBADMP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158036861 815500493 /nfs/dbraw/zinc/50/04/93/815500493.db2.gz FQNJDBXYOLAIFT-VXGBXAGGSA-N 2 1 282.388 -0.558 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070170 815500725 /nfs/dbraw/zinc/50/07/25/815500725.db2.gz DHOSVYISPRAYQU-GFCCVEGCSA-N 2 1 293.371 -0.740 20 0 CBADMP [NH3+][C@@H](C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)c1ccccc1 ZINC001158091748 815504467 /nfs/dbraw/zinc/50/44/67/815504467.db2.gz HYTPAILEJOSKMH-UKRRQHHQSA-N 2 1 288.351 -0.623 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114740788 812155553 /nfs/dbraw/zinc/15/55/53/812155553.db2.gz BAVCSSQWUPQRDP-WYUUTHIRSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114740788 812155560 /nfs/dbraw/zinc/15/55/60/812155560.db2.gz BAVCSSQWUPQRDP-WYUUTHIRSA-N 2 1 294.399 -0.752 20 0 CBADMP CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750221 812156977 /nfs/dbraw/zinc/15/69/77/812156977.db2.gz CZTJCCYQIWJNOB-JYAVWHMHSA-N 2 1 296.415 -0.537 20 0 CBADMP [NH3+]CCCNCC(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160446 815506833 /nfs/dbraw/zinc/50/68/33/815506833.db2.gz KANFGABHFURCBT-CYBMUJFWSA-N 2 1 254.378 -0.331 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114779190 812160320 /nfs/dbraw/zinc/16/03/20/812160320.db2.gz YSCXXTQIICAATM-PJXYFTJBSA-N 2 1 255.362 -0.633 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)[NH+](CC)CC ZINC001114829014 812163118 /nfs/dbraw/zinc/16/31/18/812163118.db2.gz OORFSTHRULMKSR-KZVDOYCCSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[NH+](CC)CC ZINC001114829014 812163121 /nfs/dbraw/zinc/16/31/21/812163121.db2.gz OORFSTHRULMKSR-KZVDOYCCSA-N 2 1 296.415 -0.362 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161547 815507269 /nfs/dbraw/zinc/50/72/69/815507269.db2.gz QDFMRLCSIMVXTD-WCQYABFASA-N 2 1 253.346 -0.281 20 0 CBADMP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980322 812170685 /nfs/dbraw/zinc/17/06/85/812170685.db2.gz OXUWDVLVZZWXDI-NHAGDIPZSA-N 2 1 297.399 -0.599 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980322 812170691 /nfs/dbraw/zinc/17/06/91/812170691.db2.gz OXUWDVLVZZWXDI-NHAGDIPZSA-N 2 1 297.399 -0.599 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114991988 812171984 /nfs/dbraw/zinc/17/19/84/812171984.db2.gz MXSHSJFAVULJCH-CZXHOFHRSA-N 2 1 294.399 -0.737 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114996594 812172082 /nfs/dbraw/zinc/17/20/82/812172082.db2.gz AKCJMUJFKRUUJM-NHAGDIPZSA-N 2 1 299.415 -0.617 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001114998224 812172111 /nfs/dbraw/zinc/17/21/11/812172111.db2.gz PZYQWIHGTPSVEX-RMRHIDDWSA-N 2 1 299.415 -0.618 20 0 CBADMP O=C([C@H]1C[NH2+]Cc2ccnn21)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158192878 815511845 /nfs/dbraw/zinc/51/18/45/815511845.db2.gz HPAOTXHOFKOTMZ-QJPTWQEYSA-N 2 1 261.329 -0.510 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC)C[C@H]21 ZINC001115073539 812176729 /nfs/dbraw/zinc/17/67/29/812176729.db2.gz BMEDKZPVEORVHR-YABSGUDNSA-N 2 1 282.388 -0.879 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC)C[C@H]21 ZINC001115073539 812176735 /nfs/dbraw/zinc/17/67/35/812176735.db2.gz BMEDKZPVEORVHR-YABSGUDNSA-N 2 1 282.388 -0.879 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001115073539 812176739 /nfs/dbraw/zinc/17/67/39/812176739.db2.gz BMEDKZPVEORVHR-YABSGUDNSA-N 2 1 282.388 -0.879 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001115073539 812176745 /nfs/dbraw/zinc/17/67/45/812176745.db2.gz BMEDKZPVEORVHR-YABSGUDNSA-N 2 1 282.388 -0.879 20 0 CBADMP 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 812177843 /nfs/dbraw/zinc/17/78/43/812177843.db2.gz NQYDNGUJPARULB-NMKXLXIOSA-N 2 1 296.415 -0.491 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001115081240 812177849 /nfs/dbraw/zinc/17/78/49/812177849.db2.gz NQYDNGUJPARULB-NMKXLXIOSA-N 2 1 296.415 -0.491 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001115081240 812177853 /nfs/dbraw/zinc/17/78/53/812177853.db2.gz NQYDNGUJPARULB-NMKXLXIOSA-N 2 1 296.415 -0.491 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001115125973 812180528 /nfs/dbraw/zinc/18/05/28/812180528.db2.gz FXVLIWTXDINYDL-PJXYFTJBSA-N 2 1 273.352 -0.420 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001115125973 812180533 /nfs/dbraw/zinc/18/05/33/812180533.db2.gz FXVLIWTXDINYDL-PJXYFTJBSA-N 2 1 273.352 -0.420 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001115305031 812190813 /nfs/dbraw/zinc/19/08/13/812190813.db2.gz ZANRATJPKDERDY-NHAGDIPZSA-N 2 1 299.415 -0.618 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001115305031 812190819 /nfs/dbraw/zinc/19/08/19/812190819.db2.gz ZANRATJPKDERDY-NHAGDIPZSA-N 2 1 299.415 -0.618 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001115305031 812190823 /nfs/dbraw/zinc/19/08/23/812190823.db2.gz ZANRATJPKDERDY-NHAGDIPZSA-N 2 1 299.415 -0.618 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC2(CCC[NH2+]2)CC1 ZINC001158169741 815508584 /nfs/dbraw/zinc/50/85/84/815508584.db2.gz TUWVNMSYTJDQHO-NSHDSACASA-N 2 1 253.346 -0.281 20 0 CBADMP [NH3+]CC12CC(C1)CN2C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001158186909 815510906 /nfs/dbraw/zinc/51/09/06/815510906.db2.gz IMMQMBSFDCIWCF-UHFFFAOYSA-N 3 1 252.362 -0.722 20 0 CBADMP O=C([C@@H]1C[NH2+]Cc2ccnn21)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158192881 815511554 /nfs/dbraw/zinc/51/15/54/815511554.db2.gz HPAOTXHOFKOTMZ-TUAOUCFPSA-N 2 1 261.329 -0.510 20 0 CBADMP C[NH+]1CCN(CC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC001116475782 812266587 /nfs/dbraw/zinc/26/65/87/812266587.db2.gz NIJIYIGCPUGAPI-UHFFFAOYSA-N 2 1 266.389 -0.388 20 0 CBADMP C[NH+]1CCN(CC(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC001116475782 812266593 /nfs/dbraw/zinc/26/65/93/812266593.db2.gz NIJIYIGCPUGAPI-UHFFFAOYSA-N 2 1 266.389 -0.388 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305413 815519872 /nfs/dbraw/zinc/51/98/72/815519872.db2.gz HQKRRVJVAISKCB-LPEHRKFASA-N 2 1 255.318 -0.913 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001158337243 815521656 /nfs/dbraw/zinc/52/16/56/815521656.db2.gz RHFBTWBTRIFQQB-CYUUQNCZSA-N 2 1 286.379 -0.227 20 0 CBADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+]CC(N)=O ZINC001158355084 815522631 /nfs/dbraw/zinc/52/26/31/815522631.db2.gz NNNBKUPKEFVAEO-LLVKDONJSA-N 2 1 295.387 -0.022 20 0 CBADMP c1cc(N2CC[N@@H+]3CC[C@H]3C2)nnc1N1CC[NH2+]CC1 ZINC001158422660 815527852 /nfs/dbraw/zinc/52/78/52/815527852.db2.gz DFXZFQJQAYZJBR-LBPRGKRZSA-N 2 1 274.372 -0.220 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC[NH2+]1 ZINC001118122419 812473381 /nfs/dbraw/zinc/47/33/81/812473381.db2.gz WDPBUJGTVJPZKD-CHWSQXEVSA-N 2 1 294.399 -0.497 20 0 CBADMP CC[C@@H]([NH3+])C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001118189065 812488533 /nfs/dbraw/zinc/48/85/33/812488533.db2.gz HSTORRHMFZIZJC-GFCCVEGCSA-N 2 1 256.394 -0.133 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158428654 815529495 /nfs/dbraw/zinc/52/94/95/815529495.db2.gz MSBIWESMKPAEGN-FRRDWIJNSA-N 2 1 287.404 -0.570 20 0 CBADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC[NH2+]CC1 ZINC001118242460 812505116 /nfs/dbraw/zinc/50/51/16/812505116.db2.gz ZYAKEHWDRKTTQQ-GFCCVEGCSA-N 3 1 268.405 -0.133 20 0 CBADMP COCCOC[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC001118260648 812509976 /nfs/dbraw/zinc/50/99/76/812509976.db2.gz DNEPSUZUPFPBBX-CQSZACIVSA-N 2 1 271.405 -0.124 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CCC[NH3+] ZINC001118270202 812514243 /nfs/dbraw/zinc/51/42/43/812514243.db2.gz XYKYKLHLNNIPHT-SNVBAGLBSA-N 2 1 251.334 -0.368 20 0 CBADMP C[C@@H](C(=O)NC1(C)CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC001118269926 812514622 /nfs/dbraw/zinc/51/46/22/812514622.db2.gz QOLNVYMFJIQCCU-LBPRGKRZSA-N 2 1 268.405 -0.119 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC001118282205 812517683 /nfs/dbraw/zinc/51/76/83/812517683.db2.gz VDXTVOQDEPBIKC-MBNYWOFBSA-N 2 1 266.389 -0.652 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC001118282206 812518008 /nfs/dbraw/zinc/51/80/08/812518008.db2.gz VDXTVOQDEPBIKC-YRGRVCCFSA-N 2 1 266.389 -0.652 20 0 CBADMP CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158505305 815536442 /nfs/dbraw/zinc/53/64/42/815536442.db2.gz AMCZZLGBXYNGOU-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158505304 815536714 /nfs/dbraw/zinc/53/67/14/815536714.db2.gz AMCZZLGBXYNGOU-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP COC[C@@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118576656 812583139 /nfs/dbraw/zinc/58/31/39/812583139.db2.gz UFAHCLHZAXJNTI-STQMWFEESA-N 2 1 258.362 -0.163 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567165 815538706 /nfs/dbraw/zinc/53/87/06/815538706.db2.gz FKTJUIFUYOTHIC-JLLWLGSASA-N 2 1 295.362 -0.185 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)C1 ZINC001158576609 815539900 /nfs/dbraw/zinc/53/99/00/815539900.db2.gz CCPJKOXRIMNRTF-RCWTZXSCSA-N 2 1 270.352 -0.789 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001158626400 815540507 /nfs/dbraw/zinc/54/05/07/815540507.db2.gz NGHMDJCSIMMXBC-TUAOUCFPSA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001158630723 815540764 /nfs/dbraw/zinc/54/07/64/815540764.db2.gz WTIFMZJRZHAJLE-AXFHLTTASA-N 3 1 274.434 -0.443 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001158630723 815540767 /nfs/dbraw/zinc/54/07/67/815540767.db2.gz WTIFMZJRZHAJLE-AXFHLTTASA-N 3 1 274.434 -0.443 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C[C@H]1COCC[NH2+]1 ZINC001158629453 815540788 /nfs/dbraw/zinc/54/07/88/815540788.db2.gz HETLBRKPFCZGEJ-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001158604196 815540948 /nfs/dbraw/zinc/54/09/48/815540948.db2.gz KRSWTCAZOBIGQH-NEPJUHHUSA-N 2 1 273.352 -0.275 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001158629452 815541073 /nfs/dbraw/zinc/54/10/73/815541073.db2.gz HETLBRKPFCZGEJ-QJPTWQEYSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001158626303 815541262 /nfs/dbraw/zinc/54/12/62/815541262.db2.gz JRHYXLRJGKLWSP-QJPTWQEYSA-N 3 1 266.389 -0.654 20 0 CBADMP C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001158626303 815541265 /nfs/dbraw/zinc/54/12/65/815541265.db2.gz JRHYXLRJGKLWSP-QJPTWQEYSA-N 2 1 266.389 -0.654 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001118868347 812646970 /nfs/dbraw/zinc/64/69/70/812646970.db2.gz WDLCEFBUHUQGRU-QJPTWQEYSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001118868349 812647412 /nfs/dbraw/zinc/64/74/12/812647412.db2.gz WDLCEFBUHUQGRU-SRVKXCTJSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001118871599 812648939 /nfs/dbraw/zinc/64/89/39/812648939.db2.gz MHKDWSNWPTUKCJ-IJLUTSLNSA-N 2 1 282.388 -0.737 20 0 CBADMP C[NH2+][C@@H](C)Cc1noc([C@@H](C)N2CC[NH2+]CC2=O)n1 ZINC001119062932 812703635 /nfs/dbraw/zinc/70/36/35/812703635.db2.gz SEYFRODRMHBCTO-DTWKUNHWSA-N 2 1 267.333 -0.287 20 0 CBADMP CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001158789581 815547620 /nfs/dbraw/zinc/54/76/20/815547620.db2.gz DXTJAMJHMAIQPH-UWVGGRQHSA-N 2 1 296.375 -0.954 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001119294990 812744439 /nfs/dbraw/zinc/74/44/39/812744439.db2.gz QFLJUQHKGIHAMW-WDEREUQCSA-N 2 1 284.404 -0.171 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158865871 815550960 /nfs/dbraw/zinc/55/09/60/815550960.db2.gz JDODGVYBSYCODZ-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158865871 815550962 /nfs/dbraw/zinc/55/09/62/815550962.db2.gz JDODGVYBSYCODZ-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001158865871 815550966 /nfs/dbraw/zinc/55/09/66/815550966.db2.gz JDODGVYBSYCODZ-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001158865871 815550970 /nfs/dbraw/zinc/55/09/70/815550970.db2.gz JDODGVYBSYCODZ-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001119352509 812763824 /nfs/dbraw/zinc/76/38/24/812763824.db2.gz MGRGCEBDCXZTMJ-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP C[N@H+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1(C)C ZINC001119366850 812768487 /nfs/dbraw/zinc/76/84/87/812768487.db2.gz KYKUVZDJTOOSNJ-SECBINFHSA-N 2 1 254.334 -0.357 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC001119368159 812768733 /nfs/dbraw/zinc/76/87/33/812768733.db2.gz FVFOLKOHPMQUHF-LPWJVIDDSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC001119368159 812768739 /nfs/dbraw/zinc/76/87/39/812768739.db2.gz FVFOLKOHPMQUHF-LPWJVIDDSA-N 2 1 296.415 -0.219 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCN1CC=CC1 ZINC001119597308 812825534 /nfs/dbraw/zinc/82/55/34/812825534.db2.gz CDAHXCJNHMZLJN-AAEUAGOBSA-N 2 1 253.346 -0.571 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCN1CC=CC1 ZINC001119597311 812826431 /nfs/dbraw/zinc/82/64/31/812826431.db2.gz CDAHXCJNHMZLJN-YPMHNXCESA-N 2 1 253.346 -0.571 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)C[C@@H]21 ZINC001119636496 812846361 /nfs/dbraw/zinc/84/63/61/812846361.db2.gz QUOSBVDQTDHUDR-UPJWGTAASA-N 2 1 294.399 -0.654 20 0 CBADMP O[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C[C@@]1(O)CCOC1 ZINC001119662037 812862210 /nfs/dbraw/zinc/86/22/10/812862210.db2.gz LSRQPZSNMOLANO-CYDGBPFRSA-N 2 1 256.346 -0.960 20 0 CBADMP CO[C@]1(C[NH2+][C@@H]2CCC[C@H]2N)CCS(=O)(=O)C1 ZINC001119700873 812872259 /nfs/dbraw/zinc/87/22/59/812872259.db2.gz KIQZWJDUHINURU-MXWKQRLJSA-N 2 1 262.375 -0.341 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC001119801122 812887937 /nfs/dbraw/zinc/88/79/37/812887937.db2.gz LFDUCMTUPBWTDS-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC001119801122 812887944 /nfs/dbraw/zinc/88/79/44/812887944.db2.gz LFDUCMTUPBWTDS-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C(C)(C)C[NH+](C)C ZINC001119834465 812893951 /nfs/dbraw/zinc/89/39/51/812893951.db2.gz MWCFPRTXLCADON-NWDGAFQWSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C)C(C)(C)C[NH+](C)C ZINC001119834465 812893959 /nfs/dbraw/zinc/89/39/59/812893959.db2.gz MWCFPRTXLCADON-NWDGAFQWSA-N 2 1 298.431 -0.101 20 0 CBADMP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001159084394 815557665 /nfs/dbraw/zinc/55/76/65/815557665.db2.gz JTLSKGSQZVMNCM-QCNOEVLYSA-N 2 1 271.361 -0.543 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC1([NH3+])CC1 ZINC001120504213 812977692 /nfs/dbraw/zinc/97/76/92/812977692.db2.gz JBKHXNGLRKWTTJ-LLVKDONJSA-N 2 1 269.393 -0.587 20 0 CBADMP O=C(CN1CC[NH2+]CC1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291609 815567023 /nfs/dbraw/zinc/56/70/23/815567023.db2.gz QXTPGHCYEBFMBN-UHFFFAOYSA-N 2 1 292.427 -0.164 20 0 CBADMP O=C(NCCCCC[NH+]1CCNCC1)N[C@@H]1CC[NH2+]C1 ZINC001120550770 812989353 /nfs/dbraw/zinc/98/93/53/812989353.db2.gz KYZHLFYBQYIKLD-CYBMUJFWSA-N 2 1 283.420 -0.277 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001120573657 812994474 /nfs/dbraw/zinc/99/44/74/812994474.db2.gz HBBORCDIQGCFPR-HOTGVXAUSA-N 2 1 298.475 -0.085 20 0 CBADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC001120573657 812994482 /nfs/dbraw/zinc/99/44/82/812994482.db2.gz HBBORCDIQGCFPR-HOTGVXAUSA-N 2 1 298.475 -0.085 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC001120573657 812994484 /nfs/dbraw/zinc/99/44/84/812994484.db2.gz HBBORCDIQGCFPR-HOTGVXAUSA-N 2 1 298.475 -0.085 20 0 CBADMP C[N@@H+](CCNC(=O)N1CCNCC[NH2+]CC1)C1CC1 ZINC001120596218 812997685 /nfs/dbraw/zinc/99/76/85/812997685.db2.gz SAIJWJUSLBQLLW-UHFFFAOYSA-N 2 1 269.393 -0.715 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001120644610 813004337 /nfs/dbraw/zinc/00/43/37/813004337.db2.gz HSRYMPWNUKJDBE-WRWGMCAJSA-N 2 1 252.362 -0.060 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC ZINC001159327723 815569978 /nfs/dbraw/zinc/56/99/78/815569978.db2.gz NDNGTPDYWRMTKF-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001159335071 815570499 /nfs/dbraw/zinc/57/04/99/815570499.db2.gz QOZMMYYZMFHCLN-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001121895088 813083450 /nfs/dbraw/zinc/08/34/50/813083450.db2.gz ARGUAYRUSJNWMK-AAEUAGOBSA-N 2 1 266.389 -0.415 20 0 CBADMP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001121895619 813085561 /nfs/dbraw/zinc/08/55/61/813085561.db2.gz DMRFCGVJQXKRJM-YRGRVCCFSA-N 2 1 268.405 -0.136 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)C(C)C ZINC001121917804 813089942 /nfs/dbraw/zinc/08/99/42/813089942.db2.gz ZBCBYPJOOWFWEK-WCQYABFASA-N 2 1 257.378 -0.054 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C23CC(C2)C[NH2+]3)C1 ZINC001121921749 813090708 /nfs/dbraw/zinc/09/07/08/813090708.db2.gz UVJMCDHWMUHRIZ-AKJDGMEZSA-N 2 1 253.346 -0.425 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001121917315 813090869 /nfs/dbraw/zinc/09/08/69/813090869.db2.gz QYDDWUICTVCPRN-OLZOCXBDSA-N 2 1 268.405 -0.119 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CNCC[NH3+])CC[C@H]21 ZINC001121971491 813097732 /nfs/dbraw/zinc/09/77/32/813097732.db2.gz BVXDQFHBAWGIOB-VXGBXAGGSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[N@@H+](C)C1CC1 ZINC001121996106 813102578 /nfs/dbraw/zinc/10/25/78/813102578.db2.gz BIULJRSGDYPGKF-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC001121998025 813102827 /nfs/dbraw/zinc/10/28/27/813102827.db2.gz NRBPHOFMFXDNFF-BZPMIXESSA-N 2 1 267.373 -0.035 20 0 CBADMP [NH3+]CCNCC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001122003032 813103092 /nfs/dbraw/zinc/10/30/92/813103092.db2.gz AOOOQHNPNCMBTP-QWHCGFSZSA-N 2 1 284.404 -0.706 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001122080167 813114480 /nfs/dbraw/zinc/11/44/80/813114480.db2.gz CIVYUHOYYKECEN-UMSGYPCISA-N 2 1 266.389 -0.239 20 0 CBADMP Cn1cnc(/C=C\C(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC001122157061 813126020 /nfs/dbraw/zinc/12/60/20/813126020.db2.gz GMFNWHDNRPUQAD-IHWYPQMZSA-N 2 1 277.372 -0.027 20 0 CBADMP [NH3+][C@H](CO)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001122166923 813126698 /nfs/dbraw/zinc/12/66/98/813126698.db2.gz PZTMOLYOMJWGQM-UTLUCORTSA-N 2 1 259.375 -0.998 20 0 CBADMP [NH3+][C@H](CO)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001122166923 813126701 /nfs/dbraw/zinc/12/67/01/813126701.db2.gz PZTMOLYOMJWGQM-UTLUCORTSA-N 2 1 259.375 -0.998 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC[C@@H]21 ZINC001122191459 813130702 /nfs/dbraw/zinc/13/07/02/813130702.db2.gz MMXMFICVKKQGKO-GARJFASQSA-N 2 1 255.362 -0.363 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC001122205356 813133192 /nfs/dbraw/zinc/13/31/92/813133192.db2.gz GWWRUVIUGOUOPA-NWDGAFQWSA-N 2 1 255.362 -0.096 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC001122205356 813133195 /nfs/dbraw/zinc/13/31/95/813133195.db2.gz GWWRUVIUGOUOPA-NWDGAFQWSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@@H](C(=O)N1C[C@H]([NH3+])C(C)(C)C1)N1CC[NH+](C)CC1 ZINC001122244940 813137192 /nfs/dbraw/zinc/13/71/92/813137192.db2.gz BFLJOXGOXUEWCQ-RYUDHWBXSA-N 2 1 268.405 -0.182 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001122238246 813137636 /nfs/dbraw/zinc/13/76/36/813137636.db2.gz BUDKRLUCJMZWQG-GFCCVEGCSA-N 2 1 268.405 -0.133 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001122238246 813137642 /nfs/dbraw/zinc/13/76/42/813137642.db2.gz BUDKRLUCJMZWQG-GFCCVEGCSA-N 3 1 268.405 -0.133 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001122238246 813137645 /nfs/dbraw/zinc/13/76/45/813137645.db2.gz BUDKRLUCJMZWQG-GFCCVEGCSA-N 3 1 268.405 -0.133 20 0 CBADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001122289482 813140787 /nfs/dbraw/zinc/14/07/87/813140787.db2.gz LYAMKLPQZDSJLU-SCVCMEIPSA-N 2 1 261.329 -0.220 20 0 CBADMP CN1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC[N@H+](C)CC1 ZINC001122291719 813140839 /nfs/dbraw/zinc/14/08/39/813140839.db2.gz XSULPBHXXBUJHI-ZDUSSCGKSA-N 2 1 268.405 -0.180 20 0 CBADMP CN1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC[N@@H+](C)CC1 ZINC001122291719 813140844 /nfs/dbraw/zinc/14/08/44/813140844.db2.gz XSULPBHXXBUJHI-ZDUSSCGKSA-N 2 1 268.405 -0.180 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001122291003 813141226 /nfs/dbraw/zinc/14/12/26/813141226.db2.gz NEVZIQTUYJUBBN-LBPRGKRZSA-N 2 1 256.394 -0.325 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001122291003 813141229 /nfs/dbraw/zinc/14/12/29/813141229.db2.gz NEVZIQTUYJUBBN-LBPRGKRZSA-N 2 1 256.394 -0.325 20 0 CBADMP C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001122447915 813165127 /nfs/dbraw/zinc/16/51/27/813165127.db2.gz HZYPOPWYNFXXEW-WCFLWFBJSA-N 2 1 268.405 -0.136 20 0 CBADMP N[C@H](CCC[NH3+])Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001159779352 815595058 /nfs/dbraw/zinc/59/50/58/815595058.db2.gz FXCKWHHUHCJXQA-JTQLQIEISA-N 2 1 265.365 -0.678 20 0 CBADMP C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)[C@H]1C[N@@H+](C)CCN1C ZINC001122540102 813174384 /nfs/dbraw/zinc/17/43/84/813174384.db2.gz AQRVWEKPNBVLCM-QJPTWQEYSA-N 2 1 268.405 -0.265 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001159838075 815600325 /nfs/dbraw/zinc/60/03/25/815600325.db2.gz IMPMOZGBAUFJOM-LBPRGKRZSA-N 2 1 284.404 -0.455 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159878017 815602683 /nfs/dbraw/zinc/60/26/83/815602683.db2.gz VAIUCMLUCAIOGK-ZDUSSCGKSA-N 2 1 297.403 -0.444 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CCC[N@@H+](C)CC1 ZINC001123476497 813241677 /nfs/dbraw/zinc/24/16/77/813241677.db2.gz QHNJBMWAEZJGPE-STQMWFEESA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC([NH+](C)C)C1 ZINC001123775516 813270744 /nfs/dbraw/zinc/27/07/44/813270744.db2.gz XJKBKEYJXAAYJW-PWSUYJOCSA-N 2 1 252.362 -0.853 20 0 CBADMP C[NH+](C)C[C@]1(O)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001123860986 813280747 /nfs/dbraw/zinc/28/07/47/813280747.db2.gz WGHCPPRLCAGNLY-TZMCWYRMSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC(C[NH+](C)C)C1 ZINC001123893190 813289517 /nfs/dbraw/zinc/28/95/17/813289517.db2.gz JUSDLPGXWGRLJP-YPMHNXCESA-N 2 1 266.389 -0.605 20 0 CBADMP C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001123934805 813296957 /nfs/dbraw/zinc/29/69/57/813296957.db2.gz DABZAOZZOZRNIA-ZDUSSCGKSA-N 2 1 266.389 -0.461 20 0 CBADMP C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001123934805 813296961 /nfs/dbraw/zinc/29/69/61/813296961.db2.gz DABZAOZZOZRNIA-ZDUSSCGKSA-N 2 1 266.389 -0.461 20 0 CBADMP C[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001124019876 813390525 /nfs/dbraw/zinc/39/05/25/813390525.db2.gz DABZAOZZOZRNIA-CYBMUJFWSA-N 2 1 266.389 -0.461 20 0 CBADMP C[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001124019876 813390534 /nfs/dbraw/zinc/39/05/34/813390534.db2.gz DABZAOZZOZRNIA-CYBMUJFWSA-N 2 1 266.389 -0.461 20 0 CBADMP Cn1cncc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124836955 813485400 /nfs/dbraw/zinc/48/54/00/813485400.db2.gz JFIPWBGWHMFIDD-LBPRGKRZSA-N 2 1 265.361 -0.280 20 0 CBADMP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124835975 813485595 /nfs/dbraw/zinc/48/55/95/813485595.db2.gz DERBFCIOOUSBBW-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001124867067 813490280 /nfs/dbraw/zinc/49/02/80/813490280.db2.gz RFPFOXHLXKEFAL-SNVBAGLBSA-N 2 1 295.343 -0.587 20 0 CBADMP CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124872480 813490935 /nfs/dbraw/zinc/49/09/35/813490935.db2.gz HIOBOGMFYYAAGZ-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001124872427 813491539 /nfs/dbraw/zinc/49/15/39/813491539.db2.gz FTMKWYPFKBUHJM-GFCCVEGCSA-N 2 1 293.371 -0.215 20 0 CBADMP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124873263 813491897 /nfs/dbraw/zinc/49/18/97/813491897.db2.gz UZRLUXTXUKORIE-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124872493 813492401 /nfs/dbraw/zinc/49/24/01/813492401.db2.gz HTRGWUWGOPLSHZ-NSHDSACASA-N 2 1 280.376 -0.402 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124872493 813492408 /nfs/dbraw/zinc/49/24/08/813492408.db2.gz HTRGWUWGOPLSHZ-NSHDSACASA-N 2 1 280.376 -0.402 20 0 CBADMP CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124872478 813492706 /nfs/dbraw/zinc/49/27/06/813492706.db2.gz HIOBOGMFYYAAGZ-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124873262 813492831 /nfs/dbraw/zinc/49/28/31/813492831.db2.gz UZRLUXTXUKORIE-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001124878406 813493584 /nfs/dbraw/zinc/49/35/84/813493584.db2.gz LQWRHIVEWMCQAQ-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001124879325 813493845 /nfs/dbraw/zinc/49/38/45/813493845.db2.gz RNNCIENHPXFNCU-GFCCVEGCSA-N 2 1 280.376 -0.402 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001124879325 813493853 /nfs/dbraw/zinc/49/38/53/813493853.db2.gz RNNCIENHPXFNCU-GFCCVEGCSA-N 2 1 280.376 -0.402 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnns1 ZINC001124879676 813493998 /nfs/dbraw/zinc/49/39/98/813493998.db2.gz YHZVZIZVZBYYMP-JTQLQIEISA-N 2 1 269.374 -0.162 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnns1 ZINC001124879676 813494003 /nfs/dbraw/zinc/49/40/03/813494003.db2.gz YHZVZIZVZBYYMP-JTQLQIEISA-N 2 1 269.374 -0.162 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C ZINC001124879469 813494074 /nfs/dbraw/zinc/49/40/74/813494074.db2.gz UNTPJYSJPHAUDX-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)c1nncn1C ZINC001124877154 813494264 /nfs/dbraw/zinc/49/42/64/813494264.db2.gz CQVYTYAHOSTPQU-WDEREUQCSA-N 2 1 280.376 -0.324 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)c1nncn1C ZINC001124877154 813494269 /nfs/dbraw/zinc/49/42/69/813494269.db2.gz CQVYTYAHOSTPQU-WDEREUQCSA-N 2 1 280.376 -0.324 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001124879473 813495459 /nfs/dbraw/zinc/49/54/59/813495459.db2.gz UQCIUTAVCDJXEI-QWHCGFSZSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@@H](F)CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125219746 813533392 /nfs/dbraw/zinc/53/33/92/813533392.db2.gz AZWCAZLBAKUQLP-MNOVXSKESA-N 2 1 261.341 -0.229 20 0 CBADMP CC(C)=CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125203028 813530488 /nfs/dbraw/zinc/53/04/88/813530488.db2.gz IEIUYRZDTQIVSP-GFCCVEGCSA-N 2 1 255.362 -0.011 20 0 CBADMP CC(C)=CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125203028 813530495 /nfs/dbraw/zinc/53/04/95/813530495.db2.gz IEIUYRZDTQIVSP-GFCCVEGCSA-N 2 1 255.362 -0.011 20 0 CBADMP C[C@@H](F)CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125219746 813533383 /nfs/dbraw/zinc/53/33/83/813533383.db2.gz AZWCAZLBAKUQLP-MNOVXSKESA-N 2 1 261.341 -0.229 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOC2CCC2)C1 ZINC001125220210 813533233 /nfs/dbraw/zinc/53/32/33/813533233.db2.gz FHLQCMIPXMQSSZ-CYBMUJFWSA-N 2 1 285.388 -0.408 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOC2CCC2)C1 ZINC001125220210 813533236 /nfs/dbraw/zinc/53/32/36/813533236.db2.gz FHLQCMIPXMQSSZ-CYBMUJFWSA-N 2 1 285.388 -0.408 20 0 CBADMP Cc1cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)sn1 ZINC001125220860 813534518 /nfs/dbraw/zinc/53/45/18/813534518.db2.gz LKNRDXJBKZMTPK-GFCCVEGCSA-N 2 1 298.412 -0.012 20 0 CBADMP Cc1cc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)sn1 ZINC001125220860 813534523 /nfs/dbraw/zinc/53/45/23/813534523.db2.gz LKNRDXJBKZMTPK-GFCCVEGCSA-N 2 1 298.412 -0.012 20 0 CBADMP Cc1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001125221693 813535307 /nfs/dbraw/zinc/53/53/07/813535307.db2.gz SKSVIEMJSQEIHY-CYBMUJFWSA-N 2 1 293.371 -0.679 20 0 CBADMP Cc1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001125221693 813535316 /nfs/dbraw/zinc/53/53/16/813535316.db2.gz SKSVIEMJSQEIHY-CYBMUJFWSA-N 2 1 293.371 -0.679 20 0 CBADMP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125221770 813535670 /nfs/dbraw/zinc/53/56/70/813535670.db2.gz TYERPFKYRSCVDP-WDEREUQCSA-N 2 1 259.350 -0.942 20 0 CBADMP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125221770 813535674 /nfs/dbraw/zinc/53/56/74/813535674.db2.gz TYERPFKYRSCVDP-WDEREUQCSA-N 2 1 259.350 -0.942 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCCOC2)C1 ZINC001125221696 813536395 /nfs/dbraw/zinc/53/63/95/813536395.db2.gz SLTMPJRZQYWJHA-CHWSQXEVSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCCOC2)C1 ZINC001125221696 813536408 /nfs/dbraw/zinc/53/64/08/813536408.db2.gz SLTMPJRZQYWJHA-CHWSQXEVSA-N 2 1 285.388 -0.551 20 0 CBADMP CC[C@H](C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)OC ZINC001125223191 813538601 /nfs/dbraw/zinc/53/86/01/813538601.db2.gz YWDPIMIHVDSCGO-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[C@H](C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)OC ZINC001125223191 813538607 /nfs/dbraw/zinc/53/86/07/813538607.db2.gz YWDPIMIHVDSCGO-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001127066877 813708917 /nfs/dbraw/zinc/70/89/17/813708917.db2.gz UIBZQPGLAAJCML-CYBMUJFWSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001127066877 813708921 /nfs/dbraw/zinc/70/89/21/813708921.db2.gz UIBZQPGLAAJCML-CYBMUJFWSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001127065847 813709145 /nfs/dbraw/zinc/70/91/45/813709145.db2.gz FYETYRJCVMRYEL-QWHCGFSZSA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001127066451 813709303 /nfs/dbraw/zinc/70/93/03/813709303.db2.gz OUHZIKBGFDWESL-GFCCVEGCSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001127066451 813709310 /nfs/dbraw/zinc/70/93/10/813709310.db2.gz OUHZIKBGFDWESL-GFCCVEGCSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001127065898 813709435 /nfs/dbraw/zinc/70/94/35/813709435.db2.gz GVPJTLNDTBTBRW-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001127066392 813709687 /nfs/dbraw/zinc/70/96/87/813709687.db2.gz NFIHIIDQENQKBX-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001127082240 813711696 /nfs/dbraw/zinc/71/16/96/813711696.db2.gz NAWCDPNLPMCCID-CYBMUJFWSA-N 2 1 294.403 -0.143 20 0 CBADMP O=C(NCC[NH2+]CCOCCO)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256768 813722044 /nfs/dbraw/zinc/72/20/44/813722044.db2.gz RQAGTIAANCGMEU-ZIAGYGMSSA-N 2 1 299.415 -0.425 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255602 813722547 /nfs/dbraw/zinc/72/25/47/813722547.db2.gz KDJOUYKQWZTEAQ-WDEREUQCSA-N 2 1 268.361 -0.948 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127473627 813731871 /nfs/dbraw/zinc/73/18/71/813731871.db2.gz AVNRDAFATMOSGD-LBPRGKRZSA-N 2 1 292.387 -0.637 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001127643631 813740110 /nfs/dbraw/zinc/74/01/10/813740110.db2.gz DTPTWLNNXBSGPV-MXWKQRLJSA-N 2 1 270.377 -0.704 20 0 CBADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001127675695 813740589 /nfs/dbraw/zinc/74/05/89/813740589.db2.gz ULSOBQZWQHSSHX-MNOVXSKESA-N 2 1 295.387 -0.024 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001127659884 813741040 /nfs/dbraw/zinc/74/10/40/813741040.db2.gz OHPXIUGWQQQYHT-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127690776 813741328 /nfs/dbraw/zinc/74/13/28/813741328.db2.gz SRFCVHBNKVRKCV-VXGBXAGGSA-N 2 1 284.404 -0.443 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001127701288 813741908 /nfs/dbraw/zinc/74/19/08/813741908.db2.gz MVARIUIBPNNNHK-YNEHKIRRSA-N 2 1 296.415 -0.347 20 0 CBADMP COCCCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127784810 813749410 /nfs/dbraw/zinc/74/94/10/813749410.db2.gz BNXRUNYJMLILBE-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001128774215 813796640 /nfs/dbraw/zinc/79/66/40/813796640.db2.gz PEKPKWXFNWGHQD-CYBMUJFWSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001128774127 813797170 /nfs/dbraw/zinc/79/71/70/813797170.db2.gz MJMRKCNCRNARHD-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001128773846 813797244 /nfs/dbraw/zinc/79/72/44/813797244.db2.gz GHTGOCQCMGCSDO-LLVKDONJSA-N 2 1 295.391 -0.710 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001128773846 813797249 /nfs/dbraw/zinc/79/72/49/813797249.db2.gz GHTGOCQCMGCSDO-LLVKDONJSA-N 2 1 295.391 -0.710 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001128774906 813797413 /nfs/dbraw/zinc/79/74/13/813797413.db2.gz YTWGFIDDMSAZFN-ZDUSSCGKSA-N 2 1 294.403 -0.105 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001128779753 813799294 /nfs/dbraw/zinc/79/92/94/813799294.db2.gz XOUBSLTWFUDZKT-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219189 813825309 /nfs/dbraw/zinc/82/53/09/813825309.db2.gz AAXWSPHVQNTUNA-NEPJUHHUSA-N 2 1 280.376 -0.409 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C(N)=O ZINC001129329532 813836426 /nfs/dbraw/zinc/83/64/26/813836426.db2.gz YDNFHLSTJVEPSX-OLZOCXBDSA-N 2 1 298.431 -0.066 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)nn1 ZINC001129356011 813837066 /nfs/dbraw/zinc/83/70/66/813837066.db2.gz APCLVLUYKBLZOZ-UHFFFAOYSA-N 2 1 280.376 -0.495 20 0 CBADMP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129386037 813840781 /nfs/dbraw/zinc/84/07/81/813840781.db2.gz JHJCNGSYFIOMTC-CHWSQXEVSA-N 2 1 297.403 -0.446 20 0 CBADMP COCC[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129387366 813840869 /nfs/dbraw/zinc/84/08/69/813840869.db2.gz UMMYZYIEQSVTPX-LBPRGKRZSA-N 2 1 283.376 -0.835 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21)C(N)=O ZINC001129429673 813842392 /nfs/dbraw/zinc/84/23/92/813842392.db2.gz JLCKGXOXYNBWRL-WDEREUQCSA-N 2 1 293.371 -0.270 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)c1nncn1C ZINC001129444371 813845947 /nfs/dbraw/zinc/84/59/47/813845947.db2.gz SICGMKNAYFTETR-PWSUYJOCSA-N 2 1 294.403 -0.078 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)nn1 ZINC001129443027 813846035 /nfs/dbraw/zinc/84/60/35/813846035.db2.gz GUVGDQXHBCFSGX-CYBMUJFWSA-N 2 1 294.403 -0.156 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)c1nnnn1C ZINC001129444789 813846055 /nfs/dbraw/zinc/84/60/55/813846055.db2.gz XXAYHVDJBGGGNK-ONGXEEELSA-N 2 1 295.391 -0.683 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+]CC(=O)NCC1CC1)C1CCC1 ZINC001129526335 813847486 /nfs/dbraw/zinc/84/74/86/813847486.db2.gz BPYUORLXGOXRFC-UHFFFAOYSA-N 2 1 296.415 -0.297 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129531909 813849496 /nfs/dbraw/zinc/84/94/96/813849496.db2.gz LOPKKLRAHAZXRA-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)N(C)C ZINC001129532251 813850087 /nfs/dbraw/zinc/85/00/87/813850087.db2.gz WYANEIRKFKUHKN-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001129532234 813850595 /nfs/dbraw/zinc/85/05/95/813850595.db2.gz WGRIYJXIHIQLPT-UHFFFAOYSA-N 2 1 294.403 -0.012 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001129532234 813850606 /nfs/dbraw/zinc/85/06/06/813850606.db2.gz WGRIYJXIHIQLPT-UHFFFAOYSA-N 2 1 294.403 -0.012 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129842538 813869902 /nfs/dbraw/zinc/86/99/02/813869902.db2.gz ZNSREHZKIIYGIS-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001129839950 813870337 /nfs/dbraw/zinc/87/03/37/813870337.db2.gz CLEPXVCPQQIMAM-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001129856556 813870397 /nfs/dbraw/zinc/87/03/97/813870397.db2.gz UDNSGHLLWUJKFV-ZDUSSCGKSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[C@H](C(=O)NCC[NH2+]Cc1nccn1C)[NH+](C)C ZINC001130196997 813916127 /nfs/dbraw/zinc/91/61/27/813916127.db2.gz AJPOKTTYJMYYDR-LLVKDONJSA-N 2 1 267.377 -0.034 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186242 813916681 /nfs/dbraw/zinc/91/66/81/813916681.db2.gz DJXRPEGSSYGOEG-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130296891 813922524 /nfs/dbraw/zinc/92/25/24/813922524.db2.gz DLLVCUISNDYRSJ-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130296891 813922526 /nfs/dbraw/zinc/92/25/26/813922526.db2.gz DLLVCUISNDYRSJ-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001130296884 813922594 /nfs/dbraw/zinc/92/25/94/813922594.db2.gz DDBDFASEZHBJCL-WDEREUQCSA-N 2 1 268.361 -0.935 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130298175 813923763 /nfs/dbraw/zinc/92/37/63/813923763.db2.gz XSTIFPRIAIYLIN-GFCCVEGCSA-N 2 1 284.404 -0.299 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130298176 813924100 /nfs/dbraw/zinc/92/41/00/813924100.db2.gz XSTIFPRIAIYLIN-LBPRGKRZSA-N 2 1 284.404 -0.299 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130300870 813924852 /nfs/dbraw/zinc/92/48/52/813924852.db2.gz WRDDODKXIHQEJV-MNOVXSKESA-N 2 1 270.377 -0.689 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001130304027 813925320 /nfs/dbraw/zinc/92/53/20/813925320.db2.gz QRQLZCIEMQOFHS-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130300869 813925801 /nfs/dbraw/zinc/92/58/01/813925801.db2.gz WRDDODKXIHQEJV-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP COCC[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130645532 813959917 /nfs/dbraw/zinc/95/99/17/813959917.db2.gz NNWAQQQTVMIRRV-UHFFFAOYSA-N 2 1 270.333 -0.298 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130710698 813968124 /nfs/dbraw/zinc/96/81/24/813968124.db2.gz AXQGKTRQOYALAI-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+]1CCNC(=O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131378523 814026559 /nfs/dbraw/zinc/02/65/59/814026559.db2.gz CRHLAQIYZQCWKV-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP CC[N@H+]1CCNC(=O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131378523 814026565 /nfs/dbraw/zinc/02/65/65/814026565.db2.gz CRHLAQIYZQCWKV-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001131380587 814027205 /nfs/dbraw/zinc/02/72/05/814027205.db2.gz RTENZNIEHVENKE-UHFFFAOYSA-N 2 1 295.387 -0.236 20 0 CBADMP CCCCNC(=O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380096 814027625 /nfs/dbraw/zinc/02/76/25/814027625.db2.gz CCIDMTTUSOVALV-UHFFFAOYSA-N 2 1 295.387 -0.186 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380620 814027886 /nfs/dbraw/zinc/02/78/86/814027886.db2.gz SXMUTLOVGWDPIB-UHFFFAOYSA-N 2 1 284.360 -0.440 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001131380424 814027930 /nfs/dbraw/zinc/02/79/30/814027930.db2.gz LHVWLASHBZVUEJ-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CCn1cncn1 ZINC001131387381 814028074 /nfs/dbraw/zinc/02/80/74/814028074.db2.gz NBCIQDCKZIDTDV-UHFFFAOYSA-N 2 1 277.332 -0.811 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2)C(N)=O ZINC001131424112 814032458 /nfs/dbraw/zinc/03/24/58/814032458.db2.gz JSQDTWQGLLIISL-JTQLQIEISA-N 2 1 293.371 -0.659 20 0 CBADMP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520234 814038626 /nfs/dbraw/zinc/03/86/26/814038626.db2.gz VOGAGUHAPIEIMD-SDFYHXNISA-N 2 1 297.399 -0.410 20 0 CBADMP CC(C)[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131522099 814038635 /nfs/dbraw/zinc/03/86/35/814038635.db2.gz SEULIIALEQEPML-MBHSVXNSSA-N 2 1 267.373 -0.036 20 0 CBADMP O=C(NCC[NH2+]CC1CC1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519625 814038670 /nfs/dbraw/zinc/03/86/70/814038670.db2.gz HXFPCVSCQAEZKH-OWYJLGKBSA-N 2 1 279.384 -0.035 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001131682394 814053982 /nfs/dbraw/zinc/05/39/82/814053982.db2.gz OQKFBVSYQJDSIU-HIFRSBDPSA-N 2 1 299.415 -0.378 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCC2)nn1 ZINC001132283770 814119849 /nfs/dbraw/zinc/11/98/49/814119849.db2.gz IFXODULDXANQOJ-UHFFFAOYSA-N 2 1 294.403 -0.105 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC(=O)N(C)C ZINC001132273741 814120070 /nfs/dbraw/zinc/12/00/70/814120070.db2.gz JBMVLQWKDHWTBB-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC(=O)N(C)C ZINC001132273741 814120079 /nfs/dbraw/zinc/12/00/79/814120079.db2.gz JBMVLQWKDHWTBB-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C[N@@H+]1CCO ZINC001132358737 814135842 /nfs/dbraw/zinc/13/58/42/814135842.db2.gz GWBTWWUEFTWFSJ-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C[N@H+]1CCO ZINC001132358737 814135848 /nfs/dbraw/zinc/13/58/48/814135848.db2.gz GWBTWWUEFTWFSJ-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC(N)=O)C1 ZINC001132409831 814149771 /nfs/dbraw/zinc/14/97/71/814149771.db2.gz FSMZFWFWVCWKSI-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC(N)=O)C1 ZINC001132409831 814149775 /nfs/dbraw/zinc/14/97/75/814149775.db2.gz FSMZFWFWVCWKSI-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132409831 814149781 /nfs/dbraw/zinc/14/97/81/814149781.db2.gz FSMZFWFWVCWKSI-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132409831 814149786 /nfs/dbraw/zinc/14/97/86/814149786.db2.gz FSMZFWFWVCWKSI-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]CC(=O)NC)C1 ZINC001132737500 814183074 /nfs/dbraw/zinc/18/30/74/814183074.db2.gz NOPIQFLTLZDSQN-LBPRGKRZSA-N 2 1 284.404 -0.440 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCO)C1 ZINC001132848395 814194049 /nfs/dbraw/zinc/19/40/49/814194049.db2.gz HHHIHWAFFHVVJM-GFCCVEGCSA-N 2 1 273.377 -0.816 20 0 CBADMP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132852119 814194334 /nfs/dbraw/zinc/19/43/34/814194334.db2.gz HZVONGIUVUXJTR-OLZOCXBDSA-N 2 1 287.404 -0.164 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132853405 814195916 /nfs/dbraw/zinc/19/59/16/814195916.db2.gz ZYDDXPNRIPOKCA-CYBMUJFWSA-N 2 1 287.404 -0.162 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)CC[N@H+]1C ZINC001132882090 814197213 /nfs/dbraw/zinc/19/72/13/814197213.db2.gz AAIBRXLDLIFMMW-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886087 814198346 /nfs/dbraw/zinc/19/83/46/814198346.db2.gz BXFJFSMCGJIECE-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992875 814205796 /nfs/dbraw/zinc/20/57/96/814205796.db2.gz IABRAUBWFNGSNZ-UHFFFAOYSA-N 2 1 280.376 -0.637 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)CC2 ZINC001133001198 814208508 /nfs/dbraw/zinc/20/85/08/814208508.db2.gz VITPPYNXSDDPKT-KOLCDFICSA-N 2 1 293.371 -0.666 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)c1nnnn1C ZINC001133043394 814212019 /nfs/dbraw/zinc/21/20/19/814212019.db2.gz XBSVEJUXRIKABK-JTQLQIEISA-N 2 1 283.380 -0.681 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)CCC[NH+](C)C)n1 ZINC001133040488 814212603 /nfs/dbraw/zinc/21/26/03/814212603.db2.gz SVZLKCUBOULMDF-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)c1nncn1C ZINC001133287287 814235225 /nfs/dbraw/zinc/23/52/25/814235225.db2.gz FSVAYYOMEJTVJW-LLVKDONJSA-N 2 1 294.403 -0.076 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)nn1 ZINC001133287324 814235455 /nfs/dbraw/zinc/23/54/55/814235455.db2.gz HJYSNVBGXWNFTE-UHFFFAOYSA-N 2 1 280.376 -0.637 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133819778 814300415 /nfs/dbraw/zinc/30/04/15/814300415.db2.gz NWZLNIGMTFRROG-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133824002 814302124 /nfs/dbraw/zinc/30/21/24/814302124.db2.gz VPJFKRZUZMOUCZ-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845931 814306529 /nfs/dbraw/zinc/30/65/29/814306529.db2.gz QDSTWSWLVGZJNN-ZDUSSCGKSA-N 2 1 287.404 -0.303 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845955 814309036 /nfs/dbraw/zinc/30/90/36/814309036.db2.gz QMFKTSRWTIYAFE-NWDGAFQWSA-N 2 1 273.377 -0.959 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCn1cccn1 ZINC001133862843 814310771 /nfs/dbraw/zinc/31/07/71/814310771.db2.gz GUTDAQBSZSWGJA-QWHCGFSZSA-N 2 1 279.388 -0.213 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001133853457 814310854 /nfs/dbraw/zinc/31/08/54/814310854.db2.gz KCJWQDLWGKNKFV-LBPRGKRZSA-N 2 1 296.415 -0.440 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001133866299 814312922 /nfs/dbraw/zinc/31/29/22/814312922.db2.gz KKVRXAHKJOZQSA-GHMZBOCLSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001133866299 814312932 /nfs/dbraw/zinc/31/29/32/814312932.db2.gz KKVRXAHKJOZQSA-GHMZBOCLSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001133866300 814315009 /nfs/dbraw/zinc/31/50/09/814315009.db2.gz KKVRXAHKJOZQSA-MNOVXSKESA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001133866300 814315012 /nfs/dbraw/zinc/31/50/12/814315012.db2.gz KKVRXAHKJOZQSA-MNOVXSKESA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001133869495 814315377 /nfs/dbraw/zinc/31/53/77/814315377.db2.gz FFPSEFZECMXRCV-PWSUYJOCSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001133869495 814315383 /nfs/dbraw/zinc/31/53/83/814315383.db2.gz FFPSEFZECMXRCV-PWSUYJOCSA-N 2 1 280.376 -0.781 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)[nH]1 ZINC001133864072 814315625 /nfs/dbraw/zinc/31/56/25/814315625.db2.gz USPGYDZFEDRGNX-MWLCHTKSSA-N 2 1 280.376 -0.483 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)[nH]1 ZINC001133864072 814315634 /nfs/dbraw/zinc/31/56/34/814315634.db2.gz USPGYDZFEDRGNX-MWLCHTKSSA-N 2 1 280.376 -0.483 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133870149 814316533 /nfs/dbraw/zinc/31/65/33/814316533.db2.gz QQJVFFQQVUNCPB-MNOVXSKESA-N 2 1 270.377 -0.974 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001133869783 814316568 /nfs/dbraw/zinc/31/65/68/814316568.db2.gz LEPBRXIRLNGCNS-LLVKDONJSA-N 2 1 293.371 -0.794 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869734 814316893 /nfs/dbraw/zinc/31/68/93/814316893.db2.gz KEXOPWFDJKLNRY-WCQYABFASA-N 2 1 294.403 -0.299 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001133893292 814319907 /nfs/dbraw/zinc/31/99/07/814319907.db2.gz BCKUXMILFZZYTL-UHFFFAOYSA-N 2 1 296.415 -0.297 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)C[N@@H+]2CCC(C)(C)C2)n1 ZINC001133893526 814320665 /nfs/dbraw/zinc/32/06/65/814320665.db2.gz IIKUGQZVBOKLHB-UHFFFAOYSA-N 2 1 294.403 -0.247 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)C[N@H+]2CCC(C)(C)C2)n1 ZINC001133893526 814320672 /nfs/dbraw/zinc/32/06/72/814320672.db2.gz IIKUGQZVBOKLHB-UHFFFAOYSA-N 2 1 294.403 -0.247 20 0 CBADMP Cn1nncc1C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133893677 814320862 /nfs/dbraw/zinc/32/08/62/814320862.db2.gz LHZOAUDECLRONF-UHFFFAOYSA-N 2 1 294.403 -0.247 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001134723361 814409061 /nfs/dbraw/zinc/40/90/61/814409061.db2.gz FUMMHUMTERLLHQ-UHFFFAOYSA-N 2 1 295.387 -0.152 20 0 CBADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001134723288 814409330 /nfs/dbraw/zinc/40/93/30/814409330.db2.gz AVUXUNALBAPASH-LLVKDONJSA-N 2 1 295.387 -0.024 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001134762558 814411748 /nfs/dbraw/zinc/41/17/48/814411748.db2.gz BUXKPYIBODBRGN-NWDGAFQWSA-N 2 1 284.404 -0.171 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135096047 814437041 /nfs/dbraw/zinc/43/70/41/814437041.db2.gz ZIPHLPLUBKMENO-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP COCC[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135322139 814459794 /nfs/dbraw/zinc/45/97/94/814459794.db2.gz VULGMZDXCAXQIZ-UHFFFAOYSA-N 2 1 287.404 -0.159 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135305339 814460903 /nfs/dbraw/zinc/46/09/03/814460903.db2.gz RLUPGTFVWPQESL-NSHDSACASA-N 2 1 295.387 -0.188 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CC(N)=O ZINC001159909179 815604939 /nfs/dbraw/zinc/60/49/39/815604939.db2.gz KRNUWRJZHBUICS-GFCCVEGCSA-N 2 1 284.404 -0.170 20 0 CBADMP Cn1ncnc1C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997174 815606128 /nfs/dbraw/zinc/60/61/28/815606128.db2.gz ITIDETGXECMRQM-UHFFFAOYSA-N 2 1 294.403 -0.105 20 0 CBADMP Cc1oncc1C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352799 814468681 /nfs/dbraw/zinc/46/86/81/814468681.db2.gz SQHBCGOMVNBVKO-UHFFFAOYSA-N 2 1 296.371 -0.089 20 0 CBADMP C[N@@H+](CC(=O)NCCC[NH2+]CCCO)C1CCC1 ZINC001160003529 815607819 /nfs/dbraw/zinc/60/78/19/815607819.db2.gz SWYAYHILQBBNKJ-UHFFFAOYSA-N 2 1 257.378 -0.051 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156969 815612247 /nfs/dbraw/zinc/61/22/47/815612247.db2.gz RAMYVYABAUORAB-UPJWGTAASA-N 2 1 283.372 -0.982 20 0 CBADMP CC1CC[NH+](CC(=O)NCC[NH2+]Cc2cn(C)nn2)CC1 ZINC001135688197 814512313 /nfs/dbraw/zinc/51/23/13/814512313.db2.gz GQQFVJLIHBZFNH-UHFFFAOYSA-N 2 1 294.403 -0.247 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001135861672 814533630 /nfs/dbraw/zinc/53/36/30/814533630.db2.gz VGSGFVQDDSWIDS-QWRGUYRKSA-N 2 1 272.393 -0.314 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001141196514 814648951 /nfs/dbraw/zinc/64/89/51/814648951.db2.gz FZCIHWPEXWHBSR-NMKXLXIOSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)C[C@@H]21 ZINC001141196514 814648954 /nfs/dbraw/zinc/64/89/54/814648954.db2.gz FZCIHWPEXWHBSR-NMKXLXIOSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)C[C@@H]21 ZINC001141196514 814648960 /nfs/dbraw/zinc/64/89/60/814648960.db2.gz FZCIHWPEXWHBSR-NMKXLXIOSA-N 2 1 267.373 -0.396 20 0 CBADMP OC[C@@H]1C[NH2+]C[C@@H]1Nc1cc[nH+]c(N2CCOCC2)n1 ZINC001159675540 815585754 /nfs/dbraw/zinc/58/57/54/815585754.db2.gz CRXOQGQDNCETSV-QWRGUYRKSA-N 2 1 279.344 -0.695 20 0 CBADMP C[NH+]1CCN(c2nccc(N[C@H]3C[NH2+]C[C@@H]3CO)n2)CC1 ZINC001159682606 815589333 /nfs/dbraw/zinc/58/93/33/815589333.db2.gz SJFSOJLBYSVZPR-NEPJUHHUSA-N 2 1 292.387 -0.779 20 0 CBADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CN(C)C(N)=[NH2+] ZINC001144132577 814773356 /nfs/dbraw/zinc/77/33/56/814773356.db2.gz XCLMJFBYDADLMF-NWDGAFQWSA-N 2 1 296.419 -0.952 20 0 CBADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CN(C)C(N)=[NH2+] ZINC001144132577 814773357 /nfs/dbraw/zinc/77/33/57/814773357.db2.gz XCLMJFBYDADLMF-NWDGAFQWSA-N 2 1 296.419 -0.952 20 0 CBADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146711044 814843500 /nfs/dbraw/zinc/84/35/00/814843500.db2.gz NNDWANQAASALCL-LBPRGKRZSA-N 2 1 286.420 -0.051 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001146704688 814843946 /nfs/dbraw/zinc/84/39/46/814843946.db2.gz GFHUUZYWQGPAHG-UHFFFAOYSA-N 2 1 258.366 -0.878 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001146719664 814845489 /nfs/dbraw/zinc/84/54/89/814845489.db2.gz SNMYLCYEXWUZCW-UHFFFAOYSA-N 2 1 296.419 -0.057 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cnnn1C ZINC001146719944 814846001 /nfs/dbraw/zinc/84/60/01/814846001.db2.gz XSPFHQFXFCRPKG-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH2+]CC(N)=O)c1ccccc1 ZINC001147457570 814895823 /nfs/dbraw/zinc/89/58/23/814895823.db2.gz HHUHYDXPDCKASJ-AWEZNQCLSA-N 2 1 292.383 -0.130 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001147877019 814921228 /nfs/dbraw/zinc/92/12/28/814921228.db2.gz CFUIFBIWDYIXPF-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877915 814922713 /nfs/dbraw/zinc/92/27/13/814922713.db2.gz PLTGAYNOAPEBLX-NSHDSACASA-N 2 1 270.377 -0.878 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001147884915 814923032 /nfs/dbraw/zinc/92/30/32/814923032.db2.gz IBLAJVGBBSIKSE-GFCCVEGCSA-N 2 1 296.415 -0.440 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001147877953 814923302 /nfs/dbraw/zinc/92/33/02/814923302.db2.gz QHCUMUIWXMXMRP-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001147877953 814923306 /nfs/dbraw/zinc/92/33/06/814923306.db2.gz QHCUMUIWXMXMRP-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001147893453 814923946 /nfs/dbraw/zinc/92/39/46/814923946.db2.gz QQEJTYQKSJKDFK-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP CN1CC[C@@H]([NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001147892969 814924004 /nfs/dbraw/zinc/92/40/04/814924004.db2.gz MMZJAJAZYMJEGG-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(N)[nH+]cn1 ZINC001159755627 815592957 /nfs/dbraw/zinc/59/29/57/815592957.db2.gz GNZLTVMLIZTPKY-HTQZYQBOSA-N 2 1 251.290 -0.378 20 0 CBADMP CS(=O)(=O)c1cccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159786311 815594217 /nfs/dbraw/zinc/59/42/17/815594217.db2.gz YBEUEYRZLADAIV-SECBINFHSA-N 2 1 258.347 -0.079 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CC(N)=O ZINC001159909180 815604675 /nfs/dbraw/zinc/60/46/75/815604675.db2.gz KRNUWRJZHBUICS-LBPRGKRZSA-N 2 1 284.404 -0.170 20 0 CBADMP O=C(NCCC[NH2+]CCO)[C@@H]1CCCc2[nH+]ccn21 ZINC001159914215 815604719 /nfs/dbraw/zinc/60/47/19/815604719.db2.gz BNFWZLHZTVWGLZ-NSHDSACASA-N 2 1 266.345 -0.151 20 0 CBADMP NC(=O)c1ccnc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160510381 815631181 /nfs/dbraw/zinc/63/11/81/815631181.db2.gz HVGSNEHVHPHPFI-CYBMUJFWSA-N 2 1 276.344 -0.590 20 0 CBADMP [NH3+]Cc1cc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)ncn1 ZINC001160510374 815631747 /nfs/dbraw/zinc/63/17/47/815631747.db2.gz HTHUBYVJAVQQEM-ZDUSSCGKSA-N 3 1 262.361 -0.230 20 0 CBADMP CCOC(=O)[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160583390 815640966 /nfs/dbraw/zinc/64/09/66/815640966.db2.gz XARGEJWNOCXLEA-VHSXEESVSA-N 2 1 257.334 -0.393 20 0 CBADMP COC(=O)C[C@@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CCO1 ZINC001160596433 815644406 /nfs/dbraw/zinc/64/44/06/815644406.db2.gz OZHHLKGPTOWFAZ-GFCCVEGCSA-N 2 1 299.371 -0.882 20 0 CBADMP C[C@H]1CC(=O)CCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160642491 815650351 /nfs/dbraw/zinc/65/03/51/815650351.db2.gz JQJIMRKURVVOFQ-JTQLQIEISA-N 2 1 253.346 -0.092 20 0 CBADMP [NH3+]Cc1ncc(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)s1 ZINC001160655161 815652773 /nfs/dbraw/zinc/65/27/73/815652773.db2.gz IBDXLVBFTRQXPD-RNFRBKRXSA-N 2 1 256.331 -0.864 20 0 CBADMP C[C@@H]1C[C@H](O)CCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160654710 815653223 /nfs/dbraw/zinc/65/32/23/815653223.db2.gz ABBTZQZDXCZBSV-ZYHUDNBSSA-N 2 1 255.362 -0.300 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC(=O)C(F)(F)C1 ZINC001160663715 815654245 /nfs/dbraw/zinc/65/42/45/815654245.db2.gz IGYBYNRRHWKZSS-UHFFFAOYSA-N 2 1 275.299 -0.235 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001160705336 815661813 /nfs/dbraw/zinc/66/18/13/815661813.db2.gz VMXMDIDZKRFYCC-AXFHLTTASA-N 2 1 269.345 -0.713 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160705336 815661815 /nfs/dbraw/zinc/66/18/15/815661815.db2.gz VMXMDIDZKRFYCC-AXFHLTTASA-N 2 1 269.345 -0.713 20 0 CBADMP C[C@@H]1CO[C@@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@H]12 ZINC001160755936 815667368 /nfs/dbraw/zinc/66/73/68/815667368.db2.gz CLJSWMYCFMDGOC-RAIGVLPGSA-N 2 1 267.373 -0.179 20 0 CBADMP CCN(CC(C)(C)O)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160755379 815667448 /nfs/dbraw/zinc/66/74/48/815667448.db2.gz GWYYANAYCMUWHW-UHFFFAOYSA-N 2 1 257.378 -0.053 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001160760424 815668638 /nfs/dbraw/zinc/66/86/38/815668638.db2.gz LLHKPHJRAXWATR-YIZRAAEISA-N 2 1 263.288 -0.597 20 0 CBADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001160825980 815674392 /nfs/dbraw/zinc/67/43/92/815674392.db2.gz OSBYKXQSCNVRKB-GFCCVEGCSA-N 3 1 292.387 -0.621 20 0 CBADMP CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160823472 815674716 /nfs/dbraw/zinc/67/47/16/815674716.db2.gz GRHREDFANNLWAO-ONGXEEELSA-N 2 1 295.343 -0.925 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001160840761 815678008 /nfs/dbraw/zinc/67/80/08/815678008.db2.gz ZSJMUDGLNCNFKV-QWRGUYRKSA-N 2 1 287.360 -0.944 20 0 CBADMP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001160840653 815678066 /nfs/dbraw/zinc/67/80/66/815678066.db2.gz YYWGCAPICFUDFG-RYUDHWBXSA-N 2 1 281.360 -0.932 20 0 CBADMP COC[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857998 815680126 /nfs/dbraw/zinc/68/01/26/815680126.db2.gz VQUHVOXAXYRWJJ-YNEHKIRRSA-N 2 1 287.404 -0.164 20 0 CBADMP COC[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857998 815680129 /nfs/dbraw/zinc/68/01/29/815680129.db2.gz VQUHVOXAXYRWJJ-YNEHKIRRSA-N 2 1 287.404 -0.164 20 0 CBADMP CN(C)c1cccc(NCCN2CC[NH2+]CC2=O)[nH+]1 ZINC001161018653 815696097 /nfs/dbraw/zinc/69/60/97/815696097.db2.gz CVUBAQKRGQOUCS-UHFFFAOYSA-N 2 1 263.345 -0.009 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161032021 815700965 /nfs/dbraw/zinc/70/09/65/815700965.db2.gz AOGUTTAIDFXHGS-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001161041075 815702945 /nfs/dbraw/zinc/70/29/45/815702945.db2.gz FJDKEZZDDGYIOU-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001161049226 815703175 /nfs/dbraw/zinc/70/31/75/815703175.db2.gz DHCIQKOMOFOTPQ-NEPJUHHUSA-N 3 1 256.394 -0.006 20 0 CBADMP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC001161049650 815703938 /nfs/dbraw/zinc/70/39/38/815703938.db2.gz GVUUSZBSXJYPQB-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC001161049650 815703944 /nfs/dbraw/zinc/70/39/44/815703944.db2.gz GVUUSZBSXJYPQB-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001161041500 815704381 /nfs/dbraw/zinc/70/43/81/815704381.db2.gz JRZLYSIVALJGES-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001161050836 815704799 /nfs/dbraw/zinc/70/47/99/815704799.db2.gz PZEQZPICWXXWBQ-OLZOCXBDSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001161053720 815704986 /nfs/dbraw/zinc/70/49/86/815704986.db2.gz XXUJKPVNSXVSDA-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001161053715 815705500 /nfs/dbraw/zinc/70/55/00/815705500.db2.gz XXUJKPVNSXVSDA-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001161052433 815705640 /nfs/dbraw/zinc/70/56/40/815705640.db2.gz KKHBLKFSICACNW-ZDUSSCGKSA-N 2 1 294.403 -0.142 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)C1 ZINC001161051398 815705904 /nfs/dbraw/zinc/70/59/04/815705904.db2.gz VAMGEVYTPADCQF-WOPDTQHZSA-N 2 1 254.378 -0.526 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CNC3CC[NH2+]CC3)C[C@H]21 ZINC001161081243 815709038 /nfs/dbraw/zinc/70/90/38/815709038.db2.gz HYRSRIUNPUSBMU-TZMCWYRMSA-N 2 1 280.416 -0.119 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@@H]21 ZINC001161081144 815709236 /nfs/dbraw/zinc/70/92/36/815709236.db2.gz FWIPDHPDIRJVLP-OLZOCXBDSA-N 2 1 266.389 -0.556 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]21 ZINC001161081682 815709538 /nfs/dbraw/zinc/70/95/38/815709538.db2.gz LRLNPTDFAHBQJE-FRRDWIJNSA-N 3 1 278.400 -0.652 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]21 ZINC001161081685 815709638 /nfs/dbraw/zinc/70/96/38/815709638.db2.gz LRLNPTDFAHBQJE-JHJVBQTASA-N 3 1 278.400 -0.652 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@@H]21 ZINC001161081086 815709710 /nfs/dbraw/zinc/70/97/10/815709710.db2.gz DOKHGLARICGYSR-USZNOCQGSA-N 2 1 252.362 -0.772 20 0 CBADMP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@@H]21 ZINC001161081086 815709713 /nfs/dbraw/zinc/70/97/13/815709713.db2.gz DOKHGLARICGYSR-USZNOCQGSA-N 2 1 252.362 -0.772 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@@H]21 ZINC001161081086 815709719 /nfs/dbraw/zinc/70/97/19/815709719.db2.gz DOKHGLARICGYSR-USZNOCQGSA-N 2 1 252.362 -0.772 20 0 CBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C[C@H]21 ZINC001161081192 815709990 /nfs/dbraw/zinc/70/99/90/815709990.db2.gz GWYHPIRAGCDDJB-NKLVEHEPSA-N 2 1 287.429 -0.365 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C[C@H]21 ZINC001161081192 815709999 /nfs/dbraw/zinc/70/99/99/815709999.db2.gz GWYHPIRAGCDDJB-NKLVEHEPSA-N 2 1 287.429 -0.365 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)C[C@H]21 ZINC001161084041 815711645 /nfs/dbraw/zinc/71/16/45/815711645.db2.gz WLAVQRUZFRWCOF-FRRDWIJNSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@@H]21 ZINC001161082919 815711676 /nfs/dbraw/zinc/71/16/76/815711676.db2.gz QPUSVXYMHWUMBZ-WOPDTQHZSA-N 2 1 252.362 -0.900 20 0 CBADMP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001161084014 815711945 /nfs/dbraw/zinc/71/19/45/815711945.db2.gz VYGYDYSEVUABPP-XBFCOCLRSA-N 2 1 291.399 -0.158 20 0 CBADMP CNC(=O)C[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161089445 815712842 /nfs/dbraw/zinc/71/28/42/815712842.db2.gz LKAWORSHWOKRKB-UHFFFAOYSA-N 2 1 296.415 -0.178 20 0 CBADMP CNC(=O)C[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161089445 815712844 /nfs/dbraw/zinc/71/28/44/815712844.db2.gz LKAWORSHWOKRKB-UHFFFAOYSA-N 2 1 296.415 -0.178 20 0 CBADMP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)[C@@H](N)C[NH3+] ZINC001161161054 815723660 /nfs/dbraw/zinc/72/36/60/815723660.db2.gz LJVOISINDWGFPJ-ZDUSSCGKSA-N 2 1 264.373 -0.137 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]2C1 ZINC001161175435 815724174 /nfs/dbraw/zinc/72/41/74/815724174.db2.gz LWVVJMTWMXTEGI-MJBXVCDLSA-N 3 1 292.427 -0.404 20 0 CBADMP CC(C)(O)CC[NH+]1CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001161175631 815724880 /nfs/dbraw/zinc/72/48/80/815724880.db2.gz MTHVSYXSIFKXQS-RYUDHWBXSA-N 2 1 285.388 -0.986 20 0 CBADMP [NH3+]C[C@]1(F)CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001161239622 815734522 /nfs/dbraw/zinc/73/45/22/815734522.db2.gz NVOWPUAOOMSDPH-GFCCVEGCSA-N 3 1 258.341 -0.773 20 0 CBADMP CCN(C(=O)[C@@H]([NH3+])Cc1c[nH]cn1)[C@H]1CCC[NH2+]C1 ZINC001161329188 815741434 /nfs/dbraw/zinc/74/14/34/815741434.db2.gz WHCTXJHKBMLQBN-RYUDHWBXSA-N 2 1 265.361 -0.120 20 0 CBADMP N[C@H](C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1)C(F)(F)F ZINC001161377559 815748330 /nfs/dbraw/zinc/74/83/30/815748330.db2.gz HPXLRDRQVBNRAR-VHSXEESVSA-N 2 1 294.321 -0.100 20 0 CBADMP O=C([C@@H]1COC[NH2+]1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161381176 815748485 /nfs/dbraw/zinc/74/84/85/815748485.db2.gz OJEXJNXGDSTSPK-NEPJUHHUSA-N 2 1 269.345 -0.745 20 0 CBADMP Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC001161385838 815748761 /nfs/dbraw/zinc/74/87/61/815748761.db2.gz CEQNTRLBUBGXIB-UPJWGTAASA-N 2 1 291.351 -0.050 20 0 CBADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC001161381375 815749119 /nfs/dbraw/zinc/74/91/19/815749119.db2.gz YJNVXSVSPIDASZ-MQYQWHSLSA-N 3 1 278.400 -0.524 20 0 CBADMP [NH3+][C@H]1CC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161379437 815749244 /nfs/dbraw/zinc/74/92/44/815749244.db2.gz PKPOFKJYQAYDNL-AVGNSLFASA-N 3 1 266.389 -0.252 20 0 CBADMP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423785 815754092 /nfs/dbraw/zinc/75/40/92/815754092.db2.gz NRTVGMHGZHODNE-RYUDHWBXSA-N 2 1 282.388 -0.608 20 0 CBADMP C[NH+](C)CCN(C(=O)CNCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161444469 815755448 /nfs/dbraw/zinc/75/54/48/815755448.db2.gz ILFDTIBAKDMWFS-CYBMUJFWSA-N 3 1 285.436 -0.933 20 0 CBADMP CO[C@@H]1CN(C(=O)c2cnc([C@@H](C)[NH3+])s2)C[C@@H]1[NH3+] ZINC001161493245 815761646 /nfs/dbraw/zinc/76/16/46/815761646.db2.gz HPWPTMKLZZQYBJ-GJMOJQLCSA-N 2 1 270.358 -0.039 20 0 CBADMP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccsc2)C[C@@H]1[NH3+] ZINC001161491708 815761921 /nfs/dbraw/zinc/76/19/21/815761921.db2.gz IDZOFOBNVVWIFS-AEJSXWLSSA-N 2 1 255.343 -0.068 20 0 CBADMP C[N@@H+](C1CN(C(=O)C[C@H]2COCC[NH2+]2)C1)[C@H]1CCOC1 ZINC001161497797 815762716 /nfs/dbraw/zinc/76/27/16/815762716.db2.gz FJXGKIRAUHYDTA-RYUDHWBXSA-N 2 1 283.372 -0.704 20 0 CBADMP [NH3+]Cc1ncc(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)s1 ZINC001161508379 815764883 /nfs/dbraw/zinc/76/48/83/815764883.db2.gz FDASEMJCRSCPRO-QMMMGPOBSA-N 2 1 268.342 -0.599 20 0 CBADMP CN1CC2(C1)CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001161531209 815767734 /nfs/dbraw/zinc/76/77/34/815767734.db2.gz CIIHXUXDFIARMF-NSHDSACASA-N 2 1 254.378 -0.393 20 0 CBADMP CN1CC2(C1)CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001161532113 815768193 /nfs/dbraw/zinc/76/81/93/815768193.db2.gz NKQBGSQPWKFASB-LLVKDONJSA-N 2 1 252.362 -0.913 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001161644320 815776493 /nfs/dbraw/zinc/77/64/93/815776493.db2.gz LMFSAELXIDCFBM-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](O)[C@@H](CO)Nc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001161773432 815785690 /nfs/dbraw/zinc/78/56/90/815785690.db2.gz UVNQFCCDHRSXQU-GHMZBOCLSA-N 2 1 266.345 -0.355 20 0 CBADMP [NH3+]C1CC[NH+](CCNc2ncnc3c2CC[NH2+]CC3)CC1 ZINC001161867281 815791651 /nfs/dbraw/zinc/79/16/51/815791651.db2.gz NVVPIUQBQWDXGS-UHFFFAOYSA-N 3 1 290.415 0.000 20 0 CBADMP c1cn(CCNc2nc(N3CC[NH2+]CC3)cc[nH+]2)nn1 ZINC001161922537 815793888 /nfs/dbraw/zinc/79/38/88/815793888.db2.gz PJOMCQVRGXEMSH-UHFFFAOYSA-N 2 1 274.332 -0.410 20 0 CBADMP Cc1[nH+]ccn1-c1ccc(N(CC[NH3+])S(C)(=O)=O)nn1 ZINC001162124256 815803414 /nfs/dbraw/zinc/80/34/14/815803414.db2.gz UOSBNPCBVQAVOX-UHFFFAOYSA-N 2 1 296.356 -0.305 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001162606746 815837104 /nfs/dbraw/zinc/83/71/04/815837104.db2.gz VNPVAWYTRPZZAJ-LBPRGKRZSA-N 2 1 293.371 -0.434 20 0 CBADMP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872639 815847229 /nfs/dbraw/zinc/84/72/29/815847229.db2.gz ZCKDZTRRFPURKS-KLNSDEMFSA-N 2 1 297.399 -0.674 20 0 CBADMP C[NH+]1CCN(c2nccnc2N[C@@H]2COC[C@@H]2[NH3+])CC1 ZINC001162919914 815848844 /nfs/dbraw/zinc/84/88/44/815848844.db2.gz JYDNDJCQKPUVTA-WDEREUQCSA-N 2 1 278.360 -0.634 20 0 CBADMP [NH3+][C@H]1COC[C@H]1Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001162917926 815848922 /nfs/dbraw/zinc/84/89/22/815848922.db2.gz YZHGMHKBGSPGJX-WDEREUQCSA-N 3 1 278.360 -0.458 20 0 CBADMP COc1[nH+]ccc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c1N ZINC001163239316 815870375 /nfs/dbraw/zinc/87/03/75/815870375.db2.gz FAKZAULMKGHYSL-UFBFGSQYSA-N 2 1 263.301 -0.338 20 0 CBADMP OC[C@H](O)CNc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001163349587 815880234 /nfs/dbraw/zinc/88/02/34/815880234.db2.gz GTAPGTWANSZRLA-SNVBAGLBSA-N 2 1 252.318 -0.744 20 0 CBADMP OC[C@H](O)CNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001163352409 815881708 /nfs/dbraw/zinc/88/17/08/815881708.db2.gz FIYHQAAWHXVXIT-LLVKDONJSA-N 2 1 262.313 -0.214 20 0 CBADMP C[NH+](C)CCC(=O)NCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001292947708 816492764 /nfs/dbraw/zinc/49/27/64/816492764.db2.gz WXQRGGUJBOQXOI-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCNC(=O)CCC[NH+](C)C ZINC001292984043 816495900 /nfs/dbraw/zinc/49/59/00/816495900.db2.gz SBSREQYLMLYRDW-UHFFFAOYSA-N 2 1 295.387 -0.234 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCNC(=O)CCC[NH+](C)C)C1 ZINC001293072323 816500823 /nfs/dbraw/zinc/50/08/23/816500823.db2.gz XZZABBYSALLUCV-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNc1nccnc1C[NH3+] ZINC001307169892 816797887 /nfs/dbraw/zinc/79/78/87/816797887.db2.gz QULGRPXBUTZIAJ-NSHDSACASA-N 2 1 278.360 -0.313 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CCO ZINC001316790421 816878902 /nfs/dbraw/zinc/87/89/02/816878902.db2.gz CZKDDMZBVTYHKO-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001316865695 816893625 /nfs/dbraw/zinc/89/36/25/816893625.db2.gz PYDQVSGEHLDWQT-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC ZINC001316909711 816903223 /nfs/dbraw/zinc/90/32/23/816903223.db2.gz UNUZUBHOBOCYRH-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NC ZINC001316909711 816903228 /nfs/dbraw/zinc/90/32/28/816903228.db2.gz UNUZUBHOBOCYRH-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NC ZINC001316909711 816903236 /nfs/dbraw/zinc/90/32/36/816903236.db2.gz UNUZUBHOBOCYRH-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]CCO)C2)C1 ZINC001317161151 816937555 /nfs/dbraw/zinc/93/75/55/816937555.db2.gz AIAZCGSPTCEJOO-OLZOCXBDSA-N 2 1 269.389 -0.241 20 0 CBADMP C[C@@H](O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001317244937 816949242 /nfs/dbraw/zinc/94/92/42/816949242.db2.gz FPVWOSANNYLWPZ-WDEREUQCSA-N 2 1 257.378 -0.054 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]CCOC)C1 ZINC001317286678 816959459 /nfs/dbraw/zinc/95/94/59/816959459.db2.gz PDXASZNUDKZMQA-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]CCOC)C1 ZINC001317286678 816959462 /nfs/dbraw/zinc/95/94/62/816959462.db2.gz PDXASZNUDKZMQA-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CCO ZINC001317397944 816970899 /nfs/dbraw/zinc/97/08/99/816970899.db2.gz OEVNRQZLCNHXIM-VXGBXAGGSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CCO ZINC001317407956 816973871 /nfs/dbraw/zinc/97/38/71/816973871.db2.gz ZUTXBIZZPSODCL-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2cnn(C)n2)CC[N@@H+]1C ZINC001317588086 817025056 /nfs/dbraw/zinc/02/50/56/817025056.db2.gz APEWLCYNPDBVKW-DGCLKSJQSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2cnn(C)n2)CC[N@H+]1C ZINC001317588086 817025063 /nfs/dbraw/zinc/02/50/63/817025063.db2.gz APEWLCYNPDBVKW-DGCLKSJQSA-N 2 1 294.403 -0.297 20 0 CBADMP CN(CC[NH2+]Cc1cnn(C)n1)C(=O)C1CC[NH+](C)CC1 ZINC001317630559 817035028 /nfs/dbraw/zinc/03/50/28/817035028.db2.gz GNJYWYUCTMGFEG-UHFFFAOYSA-N 2 1 294.403 -0.295 20 0 CBADMP C[C@@H](O)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317652738 817040743 /nfs/dbraw/zinc/04/07/43/817040743.db2.gz CNXSITRJOGDQSV-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317662612 817042530 /nfs/dbraw/zinc/04/25/30/817042530.db2.gz ZGNCIJQWXBROTJ-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@@H](O)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001318168801 817083177 /nfs/dbraw/zinc/08/31/77/817083177.db2.gz IVSKVMLPAKIFRN-VXGBXAGGSA-N 2 1 269.389 -0.243 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO ZINC001318223510 817087483 /nfs/dbraw/zinc/08/74/83/817087483.db2.gz AGLAKICHWPJTRQ-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001318223510 817087487 /nfs/dbraw/zinc/08/74/87/817087487.db2.gz AGLAKICHWPJTRQ-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001318223510 817087489 /nfs/dbraw/zinc/08/74/89/817087489.db2.gz AGLAKICHWPJTRQ-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@@H](C)O)C1 ZINC001318367117 817102632 /nfs/dbraw/zinc/10/26/32/817102632.db2.gz NZWBIEZENGPITA-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001318367117 817102637 /nfs/dbraw/zinc/10/26/37/817102637.db2.gz NZWBIEZENGPITA-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001318367117 817102640 /nfs/dbraw/zinc/10/26/40/817102640.db2.gz NZWBIEZENGPITA-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@H](C)O)C1 ZINC001318367114 817102861 /nfs/dbraw/zinc/10/28/61/817102861.db2.gz NZWBIEZENGPITA-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001318367114 817102865 /nfs/dbraw/zinc/10/28/65/817102865.db2.gz NZWBIEZENGPITA-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001318367114 817102868 /nfs/dbraw/zinc/10/28/68/817102868.db2.gz NZWBIEZENGPITA-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001318845915 817143006 /nfs/dbraw/zinc/14/30/06/817143006.db2.gz VVKWTNTXAPRNJH-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@H+]1C ZINC001318845915 817143013 /nfs/dbraw/zinc/14/30/13/817143013.db2.gz VVKWTNTXAPRNJH-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001318845918 817143462 /nfs/dbraw/zinc/14/34/62/817143462.db2.gz VVKWTNTXAPRNJH-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@H+]1C ZINC001318845918 817143464 /nfs/dbraw/zinc/14/34/64/817143464.db2.gz VVKWTNTXAPRNJH-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP O=C(NCC[NH+]1CC=CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC001319715418 817235463 /nfs/dbraw/zinc/23/54/63/817235463.db2.gz RTZAQJIQFPTKEB-ZDUSSCGKSA-N 2 1 264.373 -0.636 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCn1cccn1 ZINC001320204692 817291643 /nfs/dbraw/zinc/29/16/43/817291643.db2.gz QGTPDGPRRXIOMR-CHWSQXEVSA-N 2 1 295.387 -0.956 20 0 CBADMP CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001320218728 817295617 /nfs/dbraw/zinc/29/56/17/817295617.db2.gz UKTGAGZDHHZJLA-NWDGAFQWSA-N 2 1 257.378 -0.054 20 0 CBADMP CC(C)OCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001320255966 817305350 /nfs/dbraw/zinc/30/53/50/817305350.db2.gz CCFFOAVNCISUNL-QWHCGFSZSA-N 2 1 287.404 -0.428 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCO)C1 ZINC001320262354 817309027 /nfs/dbraw/zinc/30/90/27/817309027.db2.gz GYPQUNUZLCZFKI-OLZOCXBDSA-N 2 1 287.404 -0.833 20 0 CBADMP CCCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001320922605 817410717 /nfs/dbraw/zinc/41/07/17/817410717.db2.gz VADURQUYWIJIHL-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)C(N)=O ZINC001321083131 817438762 /nfs/dbraw/zinc/43/87/62/817438762.db2.gz HEDGQVVJJNZSBA-OEFFGFFESA-N 2 1 296.415 -0.003 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H](C)C(N)=O ZINC001321083129 817438859 /nfs/dbraw/zinc/43/88/59/817438859.db2.gz HEDGQVVJJNZSBA-IJWDBEHRSA-N 2 1 296.415 -0.003 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001321334690 817484311 /nfs/dbraw/zinc/48/43/11/817484311.db2.gz CJQGUWANEGQZOQ-WWKJKZQJSA-N 2 1 296.415 -0.275 20 0 CBADMP CC[C@@H]([NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001321401058 817495592 /nfs/dbraw/zinc/49/55/92/817495592.db2.gz FDJAHWRRADJDAV-ZYOFXKKJSA-N 2 1 293.371 -0.283 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC/C=C\C[NH2+]CC(=O)N1CCC1 ZINC001321418971 817496916 /nfs/dbraw/zinc/49/69/16/817496916.db2.gz NBFBCVWJOOKQEC-PLNGDYQASA-N 2 1 296.415 -0.179 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001188985835 823727358 /nfs/dbraw/zinc/72/73/58/823727358.db2.gz UKRHREMGTPKBQZ-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267225944 827132317 /nfs/dbraw/zinc/13/23/17/827132317.db2.gz IOHNYXQMYTXBMB-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267225944 827132327 /nfs/dbraw/zinc/13/23/27/827132327.db2.gz IOHNYXQMYTXBMB-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267225944 827132336 /nfs/dbraw/zinc/13/23/36/827132336.db2.gz IOHNYXQMYTXBMB-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP Cc1cc(N(CC[NH3+])CCO)c[nH+]c1N1CCOCC1 ZINC001163831900 819856697 /nfs/dbraw/zinc/85/66/97/819856697.db2.gz JJBMTECIHYTQJZ-UHFFFAOYSA-N 2 1 280.372 -0.016 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC2(C[NH2+]CCO)CC2)C1 ZINC001163940527 819872231 /nfs/dbraw/zinc/87/22/31/819872231.db2.gz NNYGFBVOWIRHEQ-GFCCVEGCSA-N 2 1 285.388 -0.815 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC2(C[NH2+]CCO)CC2)C1 ZINC001163940527 819872242 /nfs/dbraw/zinc/87/22/42/819872242.db2.gz NNYGFBVOWIRHEQ-GFCCVEGCSA-N 2 1 285.388 -0.815 20 0 CBADMP C[C@@H](O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163941011 819872287 /nfs/dbraw/zinc/87/22/87/819872287.db2.gz VUBXNXDQJNACHW-OLZOCXBDSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H](O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163941011 819872298 /nfs/dbraw/zinc/87/22/98/819872298.db2.gz VUBXNXDQJNACHW-OLZOCXBDSA-N 2 1 299.415 -0.426 20 0 CBADMP Cc1[nH+]ccn1-c1ccc(N(C)S(=O)(=O)CC[NH3+])nn1 ZINC001164292567 819901586 /nfs/dbraw/zinc/90/15/86/819901586.db2.gz RCZGMMARCJRYHK-UHFFFAOYSA-N 2 1 296.356 -0.305 20 0 CBADMP Cc1[nH+]ccn1-c1cncc(N(C)S(=O)(=O)CC[NH3+])n1 ZINC001164292098 819902405 /nfs/dbraw/zinc/90/24/05/819902405.db2.gz CBROPEKOZIDVCA-UHFFFAOYSA-N 2 1 296.356 -0.305 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCCO)C1 ZINC001164535980 819921952 /nfs/dbraw/zinc/92/19/52/819921952.db2.gz IXDOKHMGBQFNQN-ZDUSSCGKSA-N 2 1 287.404 -0.426 20 0 CBADMP CO[C@@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)C[C@H]1[NH3+] ZINC001165204394 819943626 /nfs/dbraw/zinc/94/36/26/819943626.db2.gz HOZRMEBJDRCYIV-VXGBXAGGSA-N 2 1 292.387 -0.609 20 0 CBADMP Cc1nc(N(C)C)cc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)[nH+]1 ZINC001165282404 819945854 /nfs/dbraw/zinc/94/58/54/819945854.db2.gz ZVWVXMJMJGOMRU-RISCZKNCSA-N 2 1 277.372 -0.131 20 0 CBADMP Nc1nc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)cc[nH+]1 ZINC001165341334 819955471 /nfs/dbraw/zinc/95/54/71/819955471.db2.gz KJSAPOPFFTXVDH-CYBMUJFWSA-N 2 1 279.344 -0.356 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001166626456 820008216 /nfs/dbraw/zinc/00/82/16/820008216.db2.gz GTVUJBJUUCRWRR-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CCOCCO ZINC001166627058 820008462 /nfs/dbraw/zinc/00/84/62/820008462.db2.gz OWRKYVVBXZKQCA-CYBMUJFWSA-N 2 1 287.404 -0.425 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166634874 820008906 /nfs/dbraw/zinc/00/89/06/820008906.db2.gz WVUXBQVPZSDKJP-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166627116 820009881 /nfs/dbraw/zinc/00/98/81/820009881.db2.gz QGBOHSCJJFQEBP-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001166634173 820010222 /nfs/dbraw/zinc/01/02/22/820010222.db2.gz PZHMJVNTLFLRJY-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CCCO ZINC001166626826 820010478 /nfs/dbraw/zinc/01/04/78/820010478.db2.gz KKMAENZLCWWQSB-GFCCVEGCSA-N 2 1 257.378 -0.051 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C)C(N)=O ZINC001166626161 820010740 /nfs/dbraw/zinc/01/07/40/820010740.db2.gz BVDLXVPFDQPSND-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP CN(C)C(=O)CN(C)c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001166660739 820012018 /nfs/dbraw/zinc/01/20/18/820012018.db2.gz CQCTYOIUKVOLQA-UHFFFAOYSA-N 2 1 292.387 -0.072 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CCn2cncn2)C1 ZINC001166678110 820013320 /nfs/dbraw/zinc/01/33/20/820013320.db2.gz SBVVORDMJUSAIH-ZDUSSCGKSA-N 2 1 294.403 -0.284 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166668092 820013815 /nfs/dbraw/zinc/01/38/15/820013815.db2.gz QLSAHOUCIYLJLL-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166667403 820013957 /nfs/dbraw/zinc/01/39/57/820013957.db2.gz AKLRTPIFDNPFML-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001166667600 820015151 /nfs/dbraw/zinc/01/51/51/820015151.db2.gz DNYOPCPTBXLEDW-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP CC[C@H]([NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(N)=O ZINC001166678509 820015655 /nfs/dbraw/zinc/01/56/55/820015655.db2.gz WAJOAFPCXOWWHH-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1cnon1 ZINC001166692881 820015853 /nfs/dbraw/zinc/01/58/53/820015853.db2.gz QXXHIEMIHYLVGO-JQWIXIFHSA-N 2 1 281.360 -0.137 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166708594 820017701 /nfs/dbraw/zinc/01/77/01/820017701.db2.gz UMFVZVBQIXSUMP-STQMWFEESA-N 2 1 298.431 -0.242 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166708593 820018365 /nfs/dbraw/zinc/01/83/65/820018365.db2.gz UMFVZVBQIXSUMP-QWHCGFSZSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001166708669 820018854 /nfs/dbraw/zinc/01/88/54/820018854.db2.gz VXGRULXDCHNNSC-WCQYABFASA-N 2 1 296.415 -0.441 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166708591 820019212 /nfs/dbraw/zinc/01/92/12/820019212.db2.gz UMFVZVBQIXSUMP-CHWSQXEVSA-N 2 1 298.431 -0.242 20 0 CBADMP Cn1ccc2c1cc[nH+]c2N1CC[NH2+][C@H](C(N)=O)C1 ZINC001166723645 820021190 /nfs/dbraw/zinc/02/11/90/820021190.db2.gz HAXGHBAJEZMLLV-JTQLQIEISA-N 2 1 259.313 -0.163 20 0 CBADMP NC(=O)[C@@H]1CN(c2cc(Cl)nc3c2CC[NH2+]C3)CC[NH2+]1 ZINC001166724160 820024421 /nfs/dbraw/zinc/02/44/21/820024421.db2.gz KITWDXQIPABGJP-JTQLQIEISA-N 2 1 295.774 -0.356 20 0 CBADMP C[N@@H+](CC(=O)NCCC[NH2+][C@@H]1CCNC1=O)CC(C)(C)C ZINC001166744525 820035774 /nfs/dbraw/zinc/03/57/74/820035774.db2.gz YMMBKTYXHYLDDL-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncnc2c1C[NH2+]C2 ZINC001166963301 820053572 /nfs/dbraw/zinc/05/35/72/820053572.db2.gz IQEPGTVNMAOHDF-XCBNKYQSSA-N 2 1 263.301 -0.841 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+]CC(N)=O ZINC001167472060 820093102 /nfs/dbraw/zinc/09/31/02/820093102.db2.gz SFJMKBHAHQGOIC-UHFFFAOYSA-N 2 1 281.360 -0.412 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167639971 820108529 /nfs/dbraw/zinc/10/85/29/820108529.db2.gz JKVMPPBZLZYZGV-UHFFFAOYSA-N 2 1 284.404 -0.310 20 0 CBADMP COC(=O)[C@@H]([NH3+])Cc1ccc(-n2nnc(CC[NH3+])n2)cc1 ZINC001167790592 820118891 /nfs/dbraw/zinc/11/88/91/820118891.db2.gz LXCBYKQUGSKVTP-NSHDSACASA-N 2 1 290.327 -0.794 20 0 CBADMP CCC(CO)(CO)Nc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001167967441 820136851 /nfs/dbraw/zinc/13/68/51/820136851.db2.gz WRUXFORSJXYFKW-UHFFFAOYSA-N 2 1 281.360 -0.569 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC2(C[NH2+]CCO)CC2)C1 ZINC001168241311 820152959 /nfs/dbraw/zinc/15/29/59/820152959.db2.gz WJQCYTOBFSJUFQ-ZDUSSCGKSA-N 2 1 299.415 -0.425 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC2(C[NH2+]CCO)CC2)C1 ZINC001168241311 820152961 /nfs/dbraw/zinc/15/29/61/820152961.db2.gz WJQCYTOBFSJUFQ-ZDUSSCGKSA-N 2 1 299.415 -0.425 20 0 CBADMP COC[C@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168425762 820162106 /nfs/dbraw/zinc/16/21/06/820162106.db2.gz UHLNOICGLBZOPS-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001168426136 820162955 /nfs/dbraw/zinc/16/29/55/820162955.db2.gz VWAQASOBFFCIFR-AWEZNQCLSA-N 2 1 299.415 -0.159 20 0 CBADMP [NH3+]Cc1ncn(-c2cnc(O[C@H]3CC[NH2+]C3)nc2)n1 ZINC001168754583 820174530 /nfs/dbraw/zinc/17/45/30/820174530.db2.gz RPIXRWHSLFLTMF-VIFPVBQESA-N 2 1 261.289 -0.743 20 0 CBADMP COC(OC)c1c(C[NH3+])ccnc1-n1cnc(C[NH3+])n1 ZINC001168749885 820174686 /nfs/dbraw/zinc/17/46/86/820174686.db2.gz HQRLHLRHULEWMP-UHFFFAOYSA-N 2 1 278.316 -0.129 20 0 CBADMP C[C@@H]1CN(c2ccc(-n3[nH]c(=O)nc3C[NH3+])nn2)CC[NH2+]1 ZINC001168755869 820176251 /nfs/dbraw/zinc/17/62/51/820176251.db2.gz LBOAFORFYNNUOY-MRVPVSSYSA-N 2 1 290.331 -0.980 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCN(C(C)=O)C1 ZINC001169499333 820248738 /nfs/dbraw/zinc/24/87/38/820248738.db2.gz BVRFLDRGNJJBLX-MNOVXSKESA-N 2 1 299.375 -0.998 20 0 CBADMP CC(=O)N1CC[C@@H]([N@@H+](C)CCN2CC[NH+](C)CC2)C1 ZINC001169555655 820255809 /nfs/dbraw/zinc/25/58/09/820255809.db2.gz JTSBGGMDJXBCGM-CQSZACIVSA-N 2 1 268.405 -0.214 20 0 CBADMP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169859121 820268640 /nfs/dbraw/zinc/26/86/40/820268640.db2.gz VKBWPNRDZNBVNE-WHXUTIOJSA-N 2 1 292.401 -0.320 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CCn1cncn1 ZINC001170221507 820282816 /nfs/dbraw/zinc/28/28/16/820282816.db2.gz CEWPDABGCOUPJE-UHFFFAOYSA-N 2 1 282.392 -0.284 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[NH+](CCO)CCO)C1 ZINC001170503335 820295680 /nfs/dbraw/zinc/29/56/80/820295680.db2.gz KMLNGEIKKBNRIA-CHWSQXEVSA-N 2 1 288.388 -0.406 20 0 CBADMP NCc1cc(NCCOCCOCC[NH3+])cc[nH+]1 ZINC001170511202 820297222 /nfs/dbraw/zinc/29/72/22/820297222.db2.gz MOLBRNUKBIWPGF-UHFFFAOYSA-N 2 1 254.334 -0.056 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCCOCC1 ZINC001170774902 820319078 /nfs/dbraw/zinc/31/90/78/820319078.db2.gz DSLQOLBQCOPLCB-MNOVXSKESA-N 2 1 286.376 -0.050 20 0 CBADMP Cc1[nH+]ccn1-c1cc(N[C@H]2C[NH2+]C[C@@H]2CO)ncn1 ZINC001170776052 820319534 /nfs/dbraw/zinc/31/95/34/820319534.db2.gz NXQVFJCDPHXQIO-MNOVXSKESA-N 2 1 274.328 -0.037 20 0 CBADMP COC(=O)[C@@H]([NH3+])Cc1ccc(N[C@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC001170778340 820321311 /nfs/dbraw/zinc/32/13/11/820321311.db2.gz LINWQFWWEXESIC-XBFCOCLRSA-N 2 1 293.367 -0.278 20 0 CBADMP [NH3+]C1CCN(c2nc(N[C@H]3C[NH2+]C[C@@H]3CO)cc[nH+]2)CC1 ZINC001170779885 820321867 /nfs/dbraw/zinc/32/18/67/820321867.db2.gz YZRKSTYMLUKVOT-PWSUYJOCSA-N 3 1 292.387 -0.604 20 0 CBADMP NC(=O)c1cc(Cl)nnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170898268 820332861 /nfs/dbraw/zinc/33/28/61/820332861.db2.gz RNCQABNPZUNUCC-ZETCQYMHSA-N 2 1 258.713 -0.336 20 0 CBADMP CS(=O)(=O)c1nccc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170899216 820334265 /nfs/dbraw/zinc/33/42/65/820334265.db2.gz SRIVHIBBYJSJEX-SSDOTTSWSA-N 2 1 259.335 -0.684 20 0 CBADMP Cc1cc(N[C@@H]([NH3+])CCC[NH3+])nc(S(C)(=O)=O)n1 ZINC001170904282 820336533 /nfs/dbraw/zinc/33/65/33/820336533.db2.gz MXICZEASZMQWRS-MRVPVSSYSA-N 2 1 273.362 -0.376 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171227366 820350611 /nfs/dbraw/zinc/35/06/11/820350611.db2.gz OTAVWKCTRXTDGC-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001171228122 820350684 /nfs/dbraw/zinc/35/06/84/820350684.db2.gz SDDBKGCAAFYHAU-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CN1CC[C@H]([NH2+]CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001171227058 820350758 /nfs/dbraw/zinc/35/07/58/820350758.db2.gz MERXTDKAHNRVCA-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@@H]([NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001171227030 820351519 /nfs/dbraw/zinc/35/15/19/820351519.db2.gz LVJNEEUXJNYTDH-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP Cn1cnnc1C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171219154 820351995 /nfs/dbraw/zinc/35/19/95/820351995.db2.gz UPTIBOAXAJMXIF-LBPRGKRZSA-N 2 1 294.403 -0.247 20 0 CBADMP CC1(C)C[C@@H]([NH2+]CCC[NH+](CCO)CCO)CO1 ZINC001172269752 820392920 /nfs/dbraw/zinc/39/29/20/820392920.db2.gz GSYBCJISUQEXDN-GFCCVEGCSA-N 2 1 260.378 -0.180 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001171762631 820368644 /nfs/dbraw/zinc/36/86/44/820368644.db2.gz ISIZQRUIZQQXEQ-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]C[C@H](O)COC ZINC001171763331 820368699 /nfs/dbraw/zinc/36/86/99/820368699.db2.gz ZDRWSOCOLYPBNL-LBPRGKRZSA-N 2 1 275.393 -0.569 20 0 CBADMP CCCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171762565 820369074 /nfs/dbraw/zinc/36/90/74/820369074.db2.gz GHIMWMHAJGNKHJ-UHFFFAOYSA-N 2 1 286.420 -0.050 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001171762749 820369321 /nfs/dbraw/zinc/36/93/21/820369321.db2.gz JJLINMHYTBHHFY-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001171762351 820369880 /nfs/dbraw/zinc/36/98/80/820369880.db2.gz AGXQMYADKPYHQQ-LBPRGKRZSA-N 2 1 286.420 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001171757972 820369982 /nfs/dbraw/zinc/36/99/82/820369982.db2.gz RKHQRONDGCXVKO-UHFFFAOYSA-N 2 1 283.380 -0.852 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)N(C)CC ZINC001171758362 820370178 /nfs/dbraw/zinc/37/01/78/820370178.db2.gz ZJMKWCSZNUEDJH-UHFFFAOYSA-N 2 1 286.420 -0.098 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001171762993 820370253 /nfs/dbraw/zinc/37/02/53/820370253.db2.gz PKWUCFDGVFVUDO-NSHDSACASA-N 2 1 272.393 -0.441 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001171757950 820370848 /nfs/dbraw/zinc/37/08/48/820370848.db2.gz QEJNKUBWLMKINO-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CCN1CC[C@@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1=O ZINC001172027709 820377503 /nfs/dbraw/zinc/37/75/03/820377503.db2.gz ZGMIYUUKLREIMA-GHMZBOCLSA-N 2 1 266.345 -0.071 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC001172024377 820378041 /nfs/dbraw/zinc/37/80/41/820378041.db2.gz BFDCTTKQLFJDSS-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)NCC(N)=O ZINC001172111267 820381087 /nfs/dbraw/zinc/38/10/87/820381087.db2.gz PELDXUSOJDJDQA-YFKTTZPYSA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)NCC(N)=O ZINC001172111267 820381098 /nfs/dbraw/zinc/38/10/98/820381098.db2.gz PELDXUSOJDJDQA-YFKTTZPYSA-N 2 1 282.388 -0.419 20 0 CBADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)C2 ZINC001172108216 820382162 /nfs/dbraw/zinc/38/21/62/820382162.db2.gz SFKRMYNBECQYJA-XMUPMEPVSA-N 2 1 284.400 -0.306 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)C2 ZINC001172108216 820382166 /nfs/dbraw/zinc/38/21/66/820382166.db2.gz SFKRMYNBECQYJA-XMUPMEPVSA-N 2 1 284.400 -0.306 20 0 CBADMP COCCC[NH+]1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC001172243947 820392180 /nfs/dbraw/zinc/39/21/80/820392180.db2.gz JTFXLWDNMFYVKK-UHFFFAOYSA-N 2 1 299.415 -0.064 20 0 CBADMP CC[NH+](CC)C1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001173110680 820401195 /nfs/dbraw/zinc/40/11/95/820401195.db2.gz RDQYFOQBCDDHFH-IPOFZDNWSA-N 2 1 296.463 -0.368 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072171 820438938 /nfs/dbraw/zinc/43/89/38/820438938.db2.gz MLWGHAJUBBDFDS-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001176096352 820439633 /nfs/dbraw/zinc/43/96/33/820439633.db2.gz RBPJQHFQOKIJIN-NWDGAFQWSA-N 2 1 296.415 -0.299 20 0 CBADMP CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176095483 820440014 /nfs/dbraw/zinc/44/00/14/820440014.db2.gz COKDKPHZMSZJMB-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H](C)OC)C1 ZINC001176644188 820454791 /nfs/dbraw/zinc/45/47/91/820454791.db2.gz NFSCALJCSGUXHW-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H](C)OC)C1 ZINC001176644188 820454796 /nfs/dbraw/zinc/45/47/96/820454796.db2.gz NFSCALJCSGUXHW-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001176971710 820483926 /nfs/dbraw/zinc/48/39/26/820483926.db2.gz FYQHYBCYHVISPM-SNVBAGLBSA-N 2 1 258.366 -0.704 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176971512 820484173 /nfs/dbraw/zinc/48/41/73/820484173.db2.gz AUXNZPYPCHZBCA-UHFFFAOYSA-N 2 1 258.366 -0.832 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001176986370 820484343 /nfs/dbraw/zinc/48/43/43/820484343.db2.gz LXTLQKDUROQENI-NSHDSACASA-N 2 1 270.377 -0.558 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001176980621 820485054 /nfs/dbraw/zinc/48/50/54/820485054.db2.gz LZHLJSFZISXYAH-UHFFFAOYSA-N 2 1 282.392 -0.249 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001176980670 820485490 /nfs/dbraw/zinc/48/54/90/820485490.db2.gz OGEJDRVYZVGLAW-UHFFFAOYSA-N 2 1 298.391 -0.956 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001176986676 820486653 /nfs/dbraw/zinc/48/66/53/820486653.db2.gz SDFKYPGMRSFRSW-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001176986673 820486820 /nfs/dbraw/zinc/48/68/20/820486820.db2.gz SDFKYPGMRSFRSW-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP COCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177087268 820492255 /nfs/dbraw/zinc/49/22/55/820492255.db2.gz DFZKYSCECXXKEC-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177087268 820492262 /nfs/dbraw/zinc/49/22/62/820492262.db2.gz DFZKYSCECXXKEC-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001179008762 820614636 /nfs/dbraw/zinc/61/46/36/820614636.db2.gz RGYCSCGGVZHXON-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001179587126 820634378 /nfs/dbraw/zinc/63/43/78/820634378.db2.gz WIFGLAAZBOBEEB-CHWSQXEVSA-N 2 1 298.431 -0.064 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)[C@@H]1C ZINC001179986880 820646986 /nfs/dbraw/zinc/64/69/86/820646986.db2.gz FPJMGNZYOBWLPL-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001179982861 820647632 /nfs/dbraw/zinc/64/76/32/820647632.db2.gz FLGAADXUPBWFNQ-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C ZINC001179982713 820647814 /nfs/dbraw/zinc/64/78/14/820647814.db2.gz DHYIPQWKFYXSLE-WOPDTQHZSA-N 2 1 284.404 -0.219 20 0 CBADMP CNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180260110 820664339 /nfs/dbraw/zinc/66/43/39/820664339.db2.gz UAVQOJFSZAPPIH-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP NC(=O)C1CC[NH+](CCC(=O)N2CC[N@H+]3CC[C@@H]3C2)CC1 ZINC001180611323 820699375 /nfs/dbraw/zinc/69/93/75/820699375.db2.gz ZUKVXEXOPZALLB-CYBMUJFWSA-N 2 1 294.399 -0.510 20 0 CBADMP CCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C1C[NH+](C)C1 ZINC001180611006 820700031 /nfs/dbraw/zinc/70/00/31/820700031.db2.gz RFJUPTPNWMSALE-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)C1 ZINC001180759785 820719592 /nfs/dbraw/zinc/71/95/92/820719592.db2.gz QTYQAVNSUIWRJK-ZIAGYGMSSA-N 2 1 297.399 -0.360 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)C1 ZINC001180759785 820719599 /nfs/dbraw/zinc/71/95/99/820719599.db2.gz QTYQAVNSUIWRJK-ZIAGYGMSSA-N 2 1 297.399 -0.360 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCN2CCC[NH+](C)CC2)C1 ZINC001180762769 820721991 /nfs/dbraw/zinc/72/19/91/820721991.db2.gz DWYCLCIOFRZDPP-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCN2CCC[NH+](C)CC2)C1 ZINC001180762769 820721996 /nfs/dbraw/zinc/72/19/96/820721996.db2.gz DWYCLCIOFRZDPP-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCCN2CCC[N@H+](C)CC2)C1 ZINC001180762769 820722002 /nfs/dbraw/zinc/72/20/02/820722002.db2.gz DWYCLCIOFRZDPP-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCCN2CCC[N@@H+](C)CC2)C1 ZINC001180762769 820722007 /nfs/dbraw/zinc/72/20/07/820722007.db2.gz DWYCLCIOFRZDPP-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP C[C@@H](C(=O)NCCN1CCC[N@@H+](C)CC1)[NH+](C)C ZINC001180864741 820734958 /nfs/dbraw/zinc/73/49/58/820734958.db2.gz GDDCSGCALGMPMQ-LBPRGKRZSA-N 2 1 256.394 -0.310 20 0 CBADMP COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181651293 820807401 /nfs/dbraw/zinc/80/74/01/820807401.db2.gz AKJASYLYCNUSGG-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181821568 820833018 /nfs/dbraw/zinc/83/30/18/820833018.db2.gz CBMBVYOIFGOHEL-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181821568 820833035 /nfs/dbraw/zinc/83/30/35/820833035.db2.gz CBMBVYOIFGOHEL-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCCCC[N@H+](C)CCC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001181868300 820836211 /nfs/dbraw/zinc/83/62/11/820836211.db2.gz FWGKZHIXZAEJIJ-IHRRRGAJSA-N 2 1 298.435 -0.982 20 0 CBADMP CCCCC[N@@H+](C)CCC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001181868300 820836223 /nfs/dbraw/zinc/83/62/23/820836223.db2.gz FWGKZHIXZAEJIJ-IHRRRGAJSA-N 2 1 298.435 -0.982 20 0 CBADMP C[NH+]1CCC(O)(C(=O)N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001182032772 820856099 /nfs/dbraw/zinc/85/60/99/820856099.db2.gz IWESFODNXYESKG-CHWSQXEVSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC(O)(C(=O)N2C[C@H]3[C@H](C2)CCC[N@H+]3C)CC1 ZINC001182032778 820856294 /nfs/dbraw/zinc/85/62/94/820856294.db2.gz IWESFODNXYESKG-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001183082569 820974391 /nfs/dbraw/zinc/97/43/91/820974391.db2.gz YXDMBZWUPIFVQW-IUODEOHRSA-N 2 1 298.431 -0.112 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183289462 820989842 /nfs/dbraw/zinc/98/98/42/820989842.db2.gz YURGNVBOSSFAGZ-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183576457 821007717 /nfs/dbraw/zinc/00/77/17/821007717.db2.gz NPVQKMOFIJMTCW-JHJVBQTASA-N 2 1 285.388 -0.458 20 0 CBADMP COCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183576457 821007727 /nfs/dbraw/zinc/00/77/27/821007727.db2.gz NPVQKMOFIJMTCW-JHJVBQTASA-N 2 1 285.388 -0.458 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001184309971 821067037 /nfs/dbraw/zinc/06/70/37/821067037.db2.gz ORUHCCQRWWWCSA-GFCCVEGCSA-N 2 1 266.345 -0.236 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001184310453 821067676 /nfs/dbraw/zinc/06/76/76/821067676.db2.gz SMPJHXDWBKZUDU-VXGBXAGGSA-N 2 1 293.371 -0.483 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001184300759 821068116 /nfs/dbraw/zinc/06/81/16/821068116.db2.gz JCSBBHCJIHUPIS-CYBMUJFWSA-N 2 1 296.371 -0.609 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)n1ccc(C[NH3+])cc1=N ZINC001185264872 821118893 /nfs/dbraw/zinc/11/88/93/821118893.db2.gz ZZFCIXSUKNKNLF-NSHDSACASA-N 2 1 263.345 -0.688 20 0 CBADMP Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185384999 821127375 /nfs/dbraw/zinc/12/73/75/821127375.db2.gz JYUGIRRBHKHHEP-LLVKDONJSA-N 2 1 280.376 -0.543 20 0 CBADMP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001185415736 821128762 /nfs/dbraw/zinc/12/87/62/821128762.db2.gz GVWGDEUQXKFOSD-LLVKDONJSA-N 2 1 280.376 -0.245 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001185722814 821139457 /nfs/dbraw/zinc/13/94/57/821139457.db2.gz AFAPOXLIUPDEAG-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185763294 821139833 /nfs/dbraw/zinc/13/98/33/821139833.db2.gz RYEWTHSHBCWINI-STQMWFEESA-N 2 1 298.431 -0.114 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185763293 821141021 /nfs/dbraw/zinc/14/10/21/821141021.db2.gz RYEWTHSHBCWINI-QWHCGFSZSA-N 2 1 298.431 -0.114 20 0 CBADMP CC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001186037843 821153123 /nfs/dbraw/zinc/15/31/23/821153123.db2.gz KZDRIOJVJPPTRW-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186038453 821154631 /nfs/dbraw/zinc/15/46/31/821154631.db2.gz QUOWFNMSBARLMN-QWRGUYRKSA-N 2 1 291.355 -0.506 20 0 CBADMP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186038453 821154635 /nfs/dbraw/zinc/15/46/35/821154635.db2.gz QUOWFNMSBARLMN-QWRGUYRKSA-N 2 1 291.355 -0.506 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC001186046007 821159889 /nfs/dbraw/zinc/15/98/89/821159889.db2.gz YBLGJKIBUZMSLF-GRYCIOLGSA-N 2 1 253.346 -0.927 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC001186046007 821159899 /nfs/dbraw/zinc/15/98/99/821159899.db2.gz YBLGJKIBUZMSLF-GRYCIOLGSA-N 2 1 253.346 -0.927 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC001186046007 821159908 /nfs/dbraw/zinc/15/99/08/821159908.db2.gz YBLGJKIBUZMSLF-GRYCIOLGSA-N 2 1 253.346 -0.927 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC001186107759 821170891 /nfs/dbraw/zinc/17/08/91/821170891.db2.gz RFFSSABQHONWEU-RWMBFGLXSA-N 2 1 295.383 -0.499 20 0 CBADMP COC(=O)[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC001186107759 821170899 /nfs/dbraw/zinc/17/08/99/821170899.db2.gz RFFSSABQHONWEU-RWMBFGLXSA-N 2 1 295.383 -0.499 20 0 CBADMP COC(=O)[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C1 ZINC001186107759 821170902 /nfs/dbraw/zinc/17/09/02/821170902.db2.gz RFFSSABQHONWEU-RWMBFGLXSA-N 2 1 295.383 -0.499 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001186458449 821181552 /nfs/dbraw/zinc/18/15/52/821181552.db2.gz NCIDQQOPWYIBSF-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001186487097 821184461 /nfs/dbraw/zinc/18/44/61/821184461.db2.gz FYZNOLOBUPMEPV-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001186807952 821199280 /nfs/dbraw/zinc/19/92/80/821199280.db2.gz HRSVSLSWZHIKKO-LLVKDONJSA-N 2 1 295.391 -0.758 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001186807952 821199286 /nfs/dbraw/zinc/19/92/86/821199286.db2.gz HRSVSLSWZHIKKO-LLVKDONJSA-N 2 1 295.391 -0.758 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001186824810 821199573 /nfs/dbraw/zinc/19/95/73/821199573.db2.gz MUFFHMMRMVBACY-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001186817316 821199688 /nfs/dbraw/zinc/19/96/88/821199688.db2.gz PREBAUMPIRVQOJ-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001186834085 821200695 /nfs/dbraw/zinc/20/06/95/821200695.db2.gz LGZRZPQSMNEQMK-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]Cc2ccon2)C1 ZINC001187106849 821212550 /nfs/dbraw/zinc/21/25/50/821212550.db2.gz OFBWAPPPGJHNSP-CYBMUJFWSA-N 2 1 296.371 -0.057 20 0 CBADMP CNC(=O)C[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001279696354 828334764 /nfs/dbraw/zinc/33/47/64/828334764.db2.gz WUUIGGZDXBPSGK-UHFFFAOYSA-N 2 1 296.415 -0.179 20 0 CBADMP CNC(=O)C[N@@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001279696354 828334771 /nfs/dbraw/zinc/33/47/71/828334771.db2.gz WUUIGGZDXBPSGK-UHFFFAOYSA-N 2 1 296.415 -0.179 20 0 CBADMP CNC(=O)C[NH+]1CC=C(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001279696354 828334784 /nfs/dbraw/zinc/33/47/84/828334784.db2.gz WUUIGGZDXBPSGK-UHFFFAOYSA-N 2 1 296.415 -0.179 20 0 CBADMP CNC(=O)C[NH+]1CC=C(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001279696354 828334792 /nfs/dbraw/zinc/33/47/92/828334792.db2.gz WUUIGGZDXBPSGK-UHFFFAOYSA-N 2 1 296.415 -0.179 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+]C[C@H]2CCOC2)C1 ZINC001279900971 828340841 /nfs/dbraw/zinc/34/08/41/828340841.db2.gz BAZBWZOREAGLSL-KGLIPLIRSA-N 2 1 299.415 -0.615 20 0 CBADMP COCC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001280658560 828369122 /nfs/dbraw/zinc/36/91/22/828369122.db2.gz DTEKJVSAAQLDPM-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001280665474 828370522 /nfs/dbraw/zinc/37/05/22/828370522.db2.gz CIUZQNFGOKXWNU-CYBMUJFWSA-N 2 1 296.371 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001187306232 822265796 /nfs/dbraw/zinc/26/57/96/822265796.db2.gz HCAOJQDMLXQEGQ-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@@H+](CC(=O)NC1(C[NH2+]CCO)CCOCC1)C1CCC1 ZINC001281238929 828408950 /nfs/dbraw/zinc/40/89/50/828408950.db2.gz IYYFBUKJTSDCHM-UHFFFAOYSA-N 2 1 299.415 -0.282 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001187329320 822269232 /nfs/dbraw/zinc/26/92/32/822269232.db2.gz PLLXIDFRJZKVOV-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)C[C@H](C)O ZINC001282478401 828448808 /nfs/dbraw/zinc/44/88/08/828448808.db2.gz QJQFBYRZFBUCGE-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001283147823 828500389 /nfs/dbraw/zinc/50/03/89/828500389.db2.gz YIHXWJKJZOGJBA-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CCCF)CC[N@H+]1C ZINC001283759178 828544303 /nfs/dbraw/zinc/54/43/03/828544303.db2.gz FMFBVKCDKNAURG-GRYCIOLGSA-N 2 1 275.368 -0.247 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCO)[C@H]1C ZINC001283925861 828561048 /nfs/dbraw/zinc/56/10/48/828561048.db2.gz UKQWGBXYCAWXOK-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189391454 823752744 /nfs/dbraw/zinc/75/27/44/823752744.db2.gz YQBKBABOGBPBGD-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189391454 823752736 /nfs/dbraw/zinc/75/27/36/823752736.db2.gz YQBKBABOGBPBGD-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189391454 823752740 /nfs/dbraw/zinc/75/27/40/823752740.db2.gz YQBKBABOGBPBGD-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189391454 823752748 /nfs/dbraw/zinc/75/27/48/823752748.db2.gz YQBKBABOGBPBGD-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001189470146 823757400 /nfs/dbraw/zinc/75/74/00/823757400.db2.gz DDLBOJGDIQNWBB-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001189470146 823757406 /nfs/dbraw/zinc/75/74/06/823757406.db2.gz DDLBOJGDIQNWBB-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189810780 823776021 /nfs/dbraw/zinc/77/60/21/823776021.db2.gz HATJJVJTCIKGMU-MELADBBJSA-N 2 1 299.415 -0.522 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190643405 823832404 /nfs/dbraw/zinc/83/24/04/823832404.db2.gz BKBTWDQFTXEGFX-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190643405 823832414 /nfs/dbraw/zinc/83/24/14/823832414.db2.gz BKBTWDQFTXEGFX-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192039502 823942439 /nfs/dbraw/zinc/94/24/39/823942439.db2.gz YRGXHWTWFRAIQB-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192039502 823942443 /nfs/dbraw/zinc/94/24/43/823942443.db2.gz YRGXHWTWFRAIQB-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001192045938 823944024 /nfs/dbraw/zinc/94/40/24/823944024.db2.gz ITCCTMZOHNSWDT-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC2CC2)C1 ZINC001192161036 823952412 /nfs/dbraw/zinc/95/24/12/823952412.db2.gz GJLJMHQXVYOTPI-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC2CC2)C1 ZINC001192161036 823952424 /nfs/dbraw/zinc/95/24/24/823952424.db2.gz GJLJMHQXVYOTPI-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192161637 823952515 /nfs/dbraw/zinc/95/25/15/823952515.db2.gz JLSUILWDJZVUPD-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192161639 823953373 /nfs/dbraw/zinc/95/33/73/823953373.db2.gz JOEMLKMNSROMCK-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192161639 823953377 /nfs/dbraw/zinc/95/33/77/823953377.db2.gz JOEMLKMNSROMCK-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001192160836 823953598 /nfs/dbraw/zinc/95/35/98/823953598.db2.gz FMDYXWAYDDOFSA-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001192169886 823955137 /nfs/dbraw/zinc/95/51/37/823955137.db2.gz FDZLKOIMUYMHTB-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192172156 823955548 /nfs/dbraw/zinc/95/55/48/823955548.db2.gz ZQWXMYDOERPPOT-NEPJUHHUSA-N 2 1 257.378 -0.148 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001192958932 823993881 /nfs/dbraw/zinc/99/38/81/823993881.db2.gz HBXKJCIQYNKQAR-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001284467504 828599378 /nfs/dbraw/zinc/59/93/78/828599378.db2.gz JUKYFTHTEXQGER-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001284467504 828599382 /nfs/dbraw/zinc/59/93/82/828599382.db2.gz JUKYFTHTEXQGER-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)CC(N)=O)C1 ZINC001193289829 824018591 /nfs/dbraw/zinc/01/85/91/824018591.db2.gz ABZRLZWULQYAKK-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC001193289829 824018597 /nfs/dbraw/zinc/01/85/97/824018597.db2.gz ABZRLZWULQYAKK-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC001193289829 824018603 /nfs/dbraw/zinc/01/86/03/824018603.db2.gz ABZRLZWULQYAKK-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001193289829 824018606 /nfs/dbraw/zinc/01/86/06/824018606.db2.gz ABZRLZWULQYAKK-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001193289829 824018614 /nfs/dbraw/zinc/01/86/14/824018614.db2.gz ABZRLZWULQYAKK-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC(=O)NC)C1 ZINC001193292822 824019656 /nfs/dbraw/zinc/01/96/56/824019656.db2.gz ULOKALKNFHFONN-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC(=O)NC)C1 ZINC001193292822 824019666 /nfs/dbraw/zinc/01/96/66/824019666.db2.gz ULOKALKNFHFONN-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC)C1 ZINC001193292822 824019676 /nfs/dbraw/zinc/01/96/76/824019676.db2.gz ULOKALKNFHFONN-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC)C1 ZINC001193292822 824019684 /nfs/dbraw/zinc/01/96/84/824019684.db2.gz ULOKALKNFHFONN-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193463538 824029857 /nfs/dbraw/zinc/02/98/57/824029857.db2.gz WGDYBOFCSZIJIH-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193463538 824029860 /nfs/dbraw/zinc/02/98/60/824029860.db2.gz WGDYBOFCSZIJIH-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001193463538 824029863 /nfs/dbraw/zinc/02/98/63/824029863.db2.gz WGDYBOFCSZIJIH-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001193463538 824029866 /nfs/dbraw/zinc/02/98/66/824029866.db2.gz WGDYBOFCSZIJIH-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC001193600936 824036775 /nfs/dbraw/zinc/03/67/75/824036775.db2.gz OVOQJJHPSDEJJS-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC001193600936 824036779 /nfs/dbraw/zinc/03/67/79/824036779.db2.gz OVOQJJHPSDEJJS-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001193600936 824036784 /nfs/dbraw/zinc/03/67/84/824036784.db2.gz OVOQJJHPSDEJJS-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001193600936 824036787 /nfs/dbraw/zinc/03/67/87/824036787.db2.gz OVOQJJHPSDEJJS-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@H]2CCNC2=O)C1 ZINC001193630156 824040737 /nfs/dbraw/zinc/04/07/37/824040737.db2.gz GBBHGRSCPSPHGL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC001193630156 824040741 /nfs/dbraw/zinc/04/07/41/824040741.db2.gz GBBHGRSCPSPHGL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001193630156 824040743 /nfs/dbraw/zinc/04/07/43/824040743.db2.gz GBBHGRSCPSPHGL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC(=O)NCC)C1 ZINC001193630992 824042143 /nfs/dbraw/zinc/04/21/43/824042143.db2.gz QXTQOHWPSBBINY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC(=O)NCC)C1 ZINC001193630992 824042147 /nfs/dbraw/zinc/04/21/47/824042147.db2.gz QXTQOHWPSBBINY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC)C1 ZINC001193630992 824042151 /nfs/dbraw/zinc/04/21/51/824042151.db2.gz QXTQOHWPSBBINY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC)C1 ZINC001193630992 824042155 /nfs/dbraw/zinc/04/21/55/824042155.db2.gz QXTQOHWPSBBINY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194002610 824055432 /nfs/dbraw/zinc/05/54/32/824055432.db2.gz VLBRPWMWLNSUFW-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002610 824055437 /nfs/dbraw/zinc/05/54/37/824055437.db2.gz VLBRPWMWLNSUFW-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002610 824055441 /nfs/dbraw/zinc/05/54/41/824055441.db2.gz VLBRPWMWLNSUFW-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002610 824055447 /nfs/dbraw/zinc/05/54/47/824055447.db2.gz VLBRPWMWLNSUFW-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194002610 824055452 /nfs/dbraw/zinc/05/54/52/824055452.db2.gz VLBRPWMWLNSUFW-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194001952 824055505 /nfs/dbraw/zinc/05/55/05/824055505.db2.gz LKZJQUSIRRTDHG-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001952 824055507 /nfs/dbraw/zinc/05/55/07/824055507.db2.gz LKZJQUSIRRTDHG-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001952 824055509 /nfs/dbraw/zinc/05/55/09/824055509.db2.gz LKZJQUSIRRTDHG-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194001952 824055513 /nfs/dbraw/zinc/05/55/13/824055513.db2.gz LKZJQUSIRRTDHG-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194001952 824055517 /nfs/dbraw/zinc/05/55/17/824055517.db2.gz LKZJQUSIRRTDHG-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CCCO)C2)C1 ZINC001194153290 824061337 /nfs/dbraw/zinc/06/13/37/824061337.db2.gz CGUFGUREJBYJOT-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CCCO)C2)C1 ZINC001194153290 824061339 /nfs/dbraw/zinc/06/13/39/824061339.db2.gz CGUFGUREJBYJOT-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@H+](C)CCCO)C2)C1 ZINC001194153290 824061340 /nfs/dbraw/zinc/06/13/40/824061340.db2.gz CGUFGUREJBYJOT-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCCO)C2)C1 ZINC001194153290 824061342 /nfs/dbraw/zinc/06/13/42/824061342.db2.gz CGUFGUREJBYJOT-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001194244380 824065644 /nfs/dbraw/zinc/06/56/44/824065644.db2.gz NUJBYSULFMIIQQ-QJPTWQEYSA-N 2 1 287.404 -0.741 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001194244380 824065647 /nfs/dbraw/zinc/06/56/47/824065647.db2.gz NUJBYSULFMIIQQ-QJPTWQEYSA-N 2 1 287.404 -0.741 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@H](C)C(N)=O)C1 ZINC001194285967 824068053 /nfs/dbraw/zinc/06/80/53/824068053.db2.gz VWJOVTITGVHHON-VXGBXAGGSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)C(N)=O)C1 ZINC001194285967 824068057 /nfs/dbraw/zinc/06/80/57/824068057.db2.gz VWJOVTITGVHHON-VXGBXAGGSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001194285967 824068062 /nfs/dbraw/zinc/06/80/62/824068062.db2.gz VWJOVTITGVHHON-VXGBXAGGSA-N 2 1 284.404 -0.267 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)CC1 ZINC001195662060 824128345 /nfs/dbraw/zinc/12/83/45/824128345.db2.gz XPEUUPKYJMRIQC-VXGBXAGGSA-N 2 1 287.379 -0.151 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677141 824128549 /nfs/dbraw/zinc/12/85/49/824128549.db2.gz NGBZQQXLXZIMKA-VXGBXAGGSA-N 2 1 285.388 -0.864 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001195859570 824133751 /nfs/dbraw/zinc/13/37/51/824133751.db2.gz LFAIWKYBIZCDFP-GHMZBOCLSA-N 2 1 261.341 -0.541 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[NH+](C)C ZINC001195981239 824140356 /nfs/dbraw/zinc/14/03/56/824140356.db2.gz QHMONWKOGXAHNH-JHJVBQTASA-N 2 1 287.404 -0.884 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)[NH+](CC)CC ZINC001196129094 824148364 /nfs/dbraw/zinc/14/83/64/824148364.db2.gz HTQBTYYEHPYXKK-JHJVBQTASA-N 2 1 287.404 -0.740 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[NH+](CC)CC ZINC001196129094 824148368 /nfs/dbraw/zinc/14/83/68/824148368.db2.gz HTQBTYYEHPYXKK-JHJVBQTASA-N 2 1 287.404 -0.740 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1O)[NH+](C)C ZINC001196251616 824155057 /nfs/dbraw/zinc/15/50/57/824155057.db2.gz MPSWIYGBIOOQGE-GRYCIOLGSA-N 2 1 257.378 -0.104 20 0 CBADMP O=C(CCN1CCOCC1)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001196947001 824172876 /nfs/dbraw/zinc/17/28/76/824172876.db2.gz QLXDHMGUZKRXFM-ZIAGYGMSSA-N 2 1 297.399 -0.720 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001196947001 824172880 /nfs/dbraw/zinc/17/28/80/824172880.db2.gz QLXDHMGUZKRXFM-ZIAGYGMSSA-N 2 1 297.399 -0.720 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048273 824176583 /nfs/dbraw/zinc/17/65/83/824176583.db2.gz CFHPFDZBQPQOMJ-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048273 824176588 /nfs/dbraw/zinc/17/65/88/824176588.db2.gz CFHPFDZBQPQOMJ-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001197050138 824177012 /nfs/dbraw/zinc/17/70/12/824177012.db2.gz YGAFIUOEPOHAEG-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC001197043579 824177181 /nfs/dbraw/zinc/17/71/81/824177181.db2.gz IPFCVZAIKUMJBO-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001197043579 824177184 /nfs/dbraw/zinc/17/71/84/824177184.db2.gz IPFCVZAIKUMJBO-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048271 824177279 /nfs/dbraw/zinc/17/72/79/824177279.db2.gz CFHPFDZBQPQOMJ-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048271 824177283 /nfs/dbraw/zinc/17/72/83/824177283.db2.gz CFHPFDZBQPQOMJ-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH+](CC)CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC)CC1 ZINC001197511123 824194756 /nfs/dbraw/zinc/19/47/56/824194756.db2.gz IISZUYCLSRREOC-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](CC)CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC)CC1 ZINC001197511123 824194758 /nfs/dbraw/zinc/19/47/58/824194758.db2.gz IISZUYCLSRREOC-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC[NH+](CC(=O)N(C)C)CC1 ZINC001197707945 824200472 /nfs/dbraw/zinc/20/04/72/824200472.db2.gz SDSWHMKKUYUMQL-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[NH+](CC(=O)N(C)C)CC1 ZINC001197707945 824200477 /nfs/dbraw/zinc/20/04/77/824200477.db2.gz SDSWHMKKUYUMQL-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001197707945 824200481 /nfs/dbraw/zinc/20/04/81/824200481.db2.gz SDSWHMKKUYUMQL-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001197707945 824200485 /nfs/dbraw/zinc/20/04/85/824200485.db2.gz SDSWHMKKUYUMQL-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CCCN(CC(=O)NC)CC1 ZINC001197907980 824208859 /nfs/dbraw/zinc/20/88/59/824208859.db2.gz NKMRUSGIOSDTLS-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197954994 824211106 /nfs/dbraw/zinc/21/11/06/824211106.db2.gz JKKBFYQCRDQHPU-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCC)C[C@H]1O ZINC001198048069 824216453 /nfs/dbraw/zinc/21/64/53/824216453.db2.gz RXWSASGXRNIYBV-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOCC)C[C@H]1O ZINC001198048069 824216460 /nfs/dbraw/zinc/21/64/60/824216460.db2.gz RXWSASGXRNIYBV-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCC)C[C@H]1O ZINC001198048069 824216465 /nfs/dbraw/zinc/21/64/65/824216465.db2.gz RXWSASGXRNIYBV-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[NH+](CCOCCO)CC2)C1 ZINC001198098155 824218458 /nfs/dbraw/zinc/21/84/58/824218458.db2.gz PMICYDDGQQCWPJ-AWEZNQCLSA-N 2 1 299.415 -0.519 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@H+](CCOCCO)CC2)C1 ZINC001198098155 824218466 /nfs/dbraw/zinc/21/84/66/824218466.db2.gz PMICYDDGQQCWPJ-AWEZNQCLSA-N 2 1 299.415 -0.519 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@@H+](CCOCCO)CC2)C1 ZINC001198098155 824218472 /nfs/dbraw/zinc/21/84/72/824218472.db2.gz PMICYDDGQQCWPJ-AWEZNQCLSA-N 2 1 299.415 -0.519 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023339 824246585 /nfs/dbraw/zinc/24/65/85/824246585.db2.gz FSJOJYAYIBUNMF-MGPQQGTHSA-N 2 1 299.415 -0.596 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199064385 824247652 /nfs/dbraw/zinc/24/76/52/824247652.db2.gz HYJNUFHVXYZUNV-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@H]1O ZINC001199096799 824248143 /nfs/dbraw/zinc/24/81/43/824248143.db2.gz SWVLOJCQQKUVQQ-BFHYXJOUSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001199096799 824248151 /nfs/dbraw/zinc/24/81/51/824248151.db2.gz SWVLOJCQQKUVQQ-BFHYXJOUSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001199096799 824248155 /nfs/dbraw/zinc/24/81/55/824248155.db2.gz SWVLOJCQQKUVQQ-BFHYXJOUSA-N 2 1 299.415 -0.476 20 0 CBADMP COC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199943255 824296429 /nfs/dbraw/zinc/29/64/29/824296429.db2.gz GOZBNXMDGKIWSA-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943255 824296434 /nfs/dbraw/zinc/29/64/34/824296434.db2.gz GOZBNXMDGKIWSA-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP O=C(CCc1cnc[nH]1)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200652866 824323335 /nfs/dbraw/zinc/32/33/35/824323335.db2.gz ARUHHCJOTGVTQS-CYBMUJFWSA-N 2 1 296.371 -0.458 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284960560 828636916 /nfs/dbraw/zinc/63/69/16/828636916.db2.gz VPEYSYHTPQXCCJ-GFCCVEGCSA-N 2 1 296.415 -0.179 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284960560 828636918 /nfs/dbraw/zinc/63/69/18/828636918.db2.gz VPEYSYHTPQXCCJ-GFCCVEGCSA-N 2 1 296.415 -0.179 20 0 CBADMP CC[C@@H](C(=O)NCC1=CC[N@H+](CC(N)=O)CC1)[NH+](C)C ZINC001284977666 828638028 /nfs/dbraw/zinc/63/80/28/828638028.db2.gz ZKIHQNJQNCOEDF-LBPRGKRZSA-N 2 1 282.388 -0.440 20 0 CBADMP CC[C@@H](C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1)[NH+](C)C ZINC001284977666 828638037 /nfs/dbraw/zinc/63/80/37/828638037.db2.gz ZKIHQNJQNCOEDF-LBPRGKRZSA-N 2 1 282.388 -0.440 20 0 CBADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Cn1ccnn1 ZINC001202748373 824351312 /nfs/dbraw/zinc/35/13/12/824351312.db2.gz ABJTVCZPEYUFED-YNEHKIRRSA-N 2 1 265.361 -0.145 20 0 CBADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cn1ccnn1 ZINC001202748369 824351504 /nfs/dbraw/zinc/35/15/04/824351504.db2.gz ABJTVCZPEYUFED-JHJVBQTASA-N 2 1 265.361 -0.145 20 0 CBADMP C[NH+](C)CCN1CC[NH+](C[C@H]2CCC(=O)N2)CC1 ZINC001202797399 824351837 /nfs/dbraw/zinc/35/18/37/824351837.db2.gz YHWCJIRCUIGJQP-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCC(=O)N2)CCC1=O ZINC001202876917 824353213 /nfs/dbraw/zinc/35/32/13/824353213.db2.gz BWNMJKIUTCMLTL-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@H]1CCC(=O)N1 ZINC001202878712 824353635 /nfs/dbraw/zinc/35/36/35/824353635.db2.gz RTASGHJLHDVZRU-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP CN(C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CCC(=O)N2)C1 ZINC001202902371 824354695 /nfs/dbraw/zinc/35/46/95/824354695.db2.gz HXMTUMJVBGNJDT-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP COCC[N@@H+]1CCO[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001203014402 824357272 /nfs/dbraw/zinc/35/72/72/824357272.db2.gz JWTQQHHMVCDPNR-ZIAGYGMSSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[N@H+]1CCO[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001203014402 824357273 /nfs/dbraw/zinc/35/72/73/824357273.db2.gz JWTQQHHMVCDPNR-ZIAGYGMSSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[NH+]1CCO[C@@H]2C[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001203014402 824357277 /nfs/dbraw/zinc/35/72/77/824357277.db2.gz JWTQQHHMVCDPNR-ZIAGYGMSSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001203014402 824357280 /nfs/dbraw/zinc/35/72/80/824357280.db2.gz JWTQQHHMVCDPNR-ZIAGYGMSSA-N 2 1 299.415 -0.256 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CCOCCO)CC2)C1 ZINC001203699953 824362953 /nfs/dbraw/zinc/36/29/53/824362953.db2.gz YLDKNGCDDAZHLE-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203791237 824363267 /nfs/dbraw/zinc/36/32/67/824363267.db2.gz FOZVYBUUADLKTA-RYUDHWBXSA-N 2 1 296.415 -0.171 20 0 CBADMP Cn1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(=O)n(C)c1=O ZINC001205116786 824374313 /nfs/dbraw/zinc/37/43/13/824374313.db2.gz IFDLMOIOEGZMBJ-LLVKDONJSA-N 2 1 266.345 -0.603 20 0 CBADMP N[C@H]1NC(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)=CS1 ZINC001205209382 824375560 /nfs/dbraw/zinc/37/55/60/824375560.db2.gz IZGJCKSZKYJHRQ-QWRGUYRKSA-N 2 1 258.391 -0.418 20 0 CBADMP CC1(C)NC[C@@H](C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)O1 ZINC001205209780 824375668 /nfs/dbraw/zinc/37/56/68/824375668.db2.gz LECJQIVPYKVYER-AAEUAGOBSA-N 2 1 257.378 -0.113 20 0 CBADMP CC1(C)[NH2+]C[C@@H](CN2CCC[C@@](O)(C[NH3+])CC2)O1 ZINC001205209780 824375669 /nfs/dbraw/zinc/37/56/69/824375669.db2.gz LECJQIVPYKVYER-AAEUAGOBSA-N 2 1 257.378 -0.113 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(=O)[nH]n2)CC1 ZINC001205242211 824376414 /nfs/dbraw/zinc/37/64/14/824376414.db2.gz XSBIEKDLFPOQIT-LBPRGKRZSA-N 2 1 252.318 -0.142 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cnc3n2CC[NH2+]CC3)CC1 ZINC001205220569 824376559 /nfs/dbraw/zinc/37/65/59/824376559.db2.gz LNKWBIRQEHQCDO-OAHLLOKOSA-N 3 1 293.415 -0.296 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@@H+](CC2C(=O)N=CNC2=O)CC1 ZINC001205230698 824376858 /nfs/dbraw/zinc/37/68/58/824376858.db2.gz UEEJWSXARNDIEI-GFCCVEGCSA-N 2 1 268.317 -0.437 20 0 CBADMP C[NH+]1CCN(c2ncc(CN3C[C@@H]([NH3+])[C@H](O)C3)s2)CC1 ZINC001205352613 824377256 /nfs/dbraw/zinc/37/72/56/824377256.db2.gz MLGBWLHPVIFFTJ-VXGBXAGGSA-N 2 1 297.428 -0.601 20 0 CBADMP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205945680 824390847 /nfs/dbraw/zinc/39/08/47/824390847.db2.gz BQWUTGXRYPEXEE-OWYVNGRQSA-N 2 1 293.367 -0.501 20 0 CBADMP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205945680 824390849 /nfs/dbraw/zinc/39/08/49/824390849.db2.gz BQWUTGXRYPEXEE-OWYVNGRQSA-N 2 1 293.367 -0.501 20 0 CBADMP CC(=O)N1CCC[C@H](C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001206512583 824401668 /nfs/dbraw/zinc/40/16/68/824401668.db2.gz PWVFTHPAVSFCHQ-AGIUHOORSA-N 2 1 255.362 -0.504 20 0 CBADMP C[C@H]1CNCC(F)(F)[C@@H]1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206511806 824401966 /nfs/dbraw/zinc/40/19/66/824401966.db2.gz CCNQUQABKPVGPQ-MMWGEVLESA-N 2 1 263.332 -0.271 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)nc2)C[C@@H]1O ZINC001206534831 824402731 /nfs/dbraw/zinc/40/27/31/824402731.db2.gz DYORVBKWTAGFAS-KBPBESRZSA-N 3 1 291.399 -0.757 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)nc2)C[C@@H]1O ZINC001206534831 824402739 /nfs/dbraw/zinc/40/27/39/824402739.db2.gz DYORVBKWTAGFAS-KBPBESRZSA-N 3 1 291.399 -0.757 20 0 CBADMP Cn1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC001206633085 824404556 /nfs/dbraw/zinc/40/45/56/824404556.db2.gz SQZZUZJSPWIFEC-LLVKDONJSA-N 2 1 280.372 -0.355 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207546998 824431213 /nfs/dbraw/zinc/43/12/13/824431213.db2.gz HUUFBFQGHNTTBR-MPKXVKKWSA-N 2 1 296.415 -0.491 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207546998 824431215 /nfs/dbraw/zinc/43/12/15/824431215.db2.gz HUUFBFQGHNTTBR-MPKXVKKWSA-N 2 1 296.415 -0.491 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207684269 824433895 /nfs/dbraw/zinc/43/38/95/824433895.db2.gz LYZANHRNYADXIW-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001208337297 824451099 /nfs/dbraw/zinc/45/10/99/824451099.db2.gz IWLKKJMFMQYGAT-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425366 824451751 /nfs/dbraw/zinc/45/17/51/824451751.db2.gz FFQZKNOIWPQHCB-VXGBXAGGSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425366 824451753 /nfs/dbraw/zinc/45/17/53/824451753.db2.gz FFQZKNOIWPQHCB-VXGBXAGGSA-N 2 1 296.415 -0.489 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495917 824454017 /nfs/dbraw/zinc/45/40/17/824454017.db2.gz CUQABQIQBGKPJQ-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208490809 824454290 /nfs/dbraw/zinc/45/42/90/824454290.db2.gz HFBGLYVUNXCPQL-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208490809 824454293 /nfs/dbraw/zinc/45/42/93/824454293.db2.gz HFBGLYVUNXCPQL-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496305 824455353 /nfs/dbraw/zinc/45/53/53/824455353.db2.gz PDDRKICTNZHFET-CHWSQXEVSA-N 2 1 294.403 -0.334 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208570518 824455723 /nfs/dbraw/zinc/45/57/23/824455723.db2.gz ZJUNJZBTMVBSAQ-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208637143 824456379 /nfs/dbraw/zinc/45/63/79/824456379.db2.gz HRFSOEJCHZODOZ-VXGBXAGGSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208637143 824456383 /nfs/dbraw/zinc/45/63/83/824456383.db2.gz HRFSOEJCHZODOZ-VXGBXAGGSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001208637143 824456385 /nfs/dbraw/zinc/45/63/85/824456385.db2.gz HRFSOEJCHZODOZ-VXGBXAGGSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001208637143 824456388 /nfs/dbraw/zinc/45/63/88/824456388.db2.gz HRFSOEJCHZODOZ-VXGBXAGGSA-N 2 1 298.431 -0.114 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001209443716 824470825 /nfs/dbraw/zinc/47/08/25/824470825.db2.gz AAECRMAXTFPQRR-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514457 824473100 /nfs/dbraw/zinc/47/31/00/824473100.db2.gz LDHYFGRKWCKFJG-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514457 824473102 /nfs/dbraw/zinc/47/31/02/824473102.db2.gz LDHYFGRKWCKFJG-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C ZINC001209635746 824474176 /nfs/dbraw/zinc/47/41/76/824474176.db2.gz WTJKVJVUXUNQDR-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C ZINC001209635746 824474178 /nfs/dbraw/zinc/47/41/78/824474178.db2.gz WTJKVJVUXUNQDR-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001209641336 824474307 /nfs/dbraw/zinc/47/43/07/824474307.db2.gz IPWRGQLMTDITFK-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210674445 824480535 /nfs/dbraw/zinc/48/05/35/824480535.db2.gz WHFJKNUTPNAJEN-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCOC)C2)C1 ZINC001211176648 824483346 /nfs/dbraw/zinc/48/33/46/824483346.db2.gz MPUNZTLNEPQVJP-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCOC)C2)C1 ZINC001211176648 824483347 /nfs/dbraw/zinc/48/33/47/824483347.db2.gz MPUNZTLNEPQVJP-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP OC1(c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)C[NH2+]C1 ZINC001211855864 824491994 /nfs/dbraw/zinc/49/19/94/824491994.db2.gz CWYLACFKWNZBPR-UHFFFAOYSA-N 2 1 273.296 -0.432 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1OC)[NH+](C)C ZINC001212455765 824508208 /nfs/dbraw/zinc/50/82/08/824508208.db2.gz VURJXCQXBROOBJ-JHJVBQTASA-N 2 1 287.404 -0.212 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCOCCO ZINC001214335662 824528843 /nfs/dbraw/zinc/52/88/43/824528843.db2.gz FMDISISHKZFSFS-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001216515965 824548175 /nfs/dbraw/zinc/54/81/75/824548175.db2.gz WDVPAEXMZZFWSE-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCO)C2)C1 ZINC001216801564 824548603 /nfs/dbraw/zinc/54/86/03/824548603.db2.gz OIODJKQUHXLRDO-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCO)C2)C1 ZINC001216801564 824548609 /nfs/dbraw/zinc/54/86/09/824548609.db2.gz OIODJKQUHXLRDO-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[NH+](CCc2nnc([C@]3(N)CC[NH2+]C3)o2)C[C@@H](C)O1 ZINC001217735615 824560493 /nfs/dbraw/zinc/56/04/93/824560493.db2.gz AMOGZENAPNAMLP-GYSYKLTISA-N 2 1 295.387 -0.131 20 0 CBADMP CCOC(=O)c1c[nH]c(NC(=O)[C@H]([NH3+])CCC[NH3+])n1 ZINC001218528930 824584355 /nfs/dbraw/zinc/58/43/55/824584355.db2.gz WCRQMSDYPOIEFX-SSDOTTSWSA-N 2 1 269.305 -0.409 20 0 CBADMP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1COC[NH2+]1 ZINC001218727361 824629432 /nfs/dbraw/zinc/62/94/32/824629432.db2.gz WMPFRGKLLWVENA-MNOVXSKESA-N 2 1 278.312 -0.293 20 0 CBADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1c[nH]ccc1=O ZINC001218792111 824639346 /nfs/dbraw/zinc/63/93/46/824639346.db2.gz UDEBLNBIXSOTDU-SNVBAGLBSA-N 2 1 279.344 -0.936 20 0 CBADMP O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218878120 824644545 /nfs/dbraw/zinc/64/45/45/824644545.db2.gz ZTRAPQWZTUFXIK-VIFPVBQESA-N 2 1 272.312 -0.295 20 0 CBADMP CCC[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218966191 824650082 /nfs/dbraw/zinc/65/00/82/824650082.db2.gz XPKXEGXSUJMEKM-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC001219028325 824654444 /nfs/dbraw/zinc/65/44/44/824654444.db2.gz ZUUWLXYYTBOJOZ-PWSUYJOCSA-N 2 1 276.340 -0.204 20 0 CBADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357825 824696796 /nfs/dbraw/zinc/69/67/96/824696796.db2.gz MLFFBSIVPZMDEM-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357825 824696799 /nfs/dbraw/zinc/69/67/99/824696799.db2.gz MLFFBSIVPZMDEM-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357825 824696805 /nfs/dbraw/zinc/69/68/05/824696805.db2.gz MLFFBSIVPZMDEM-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357825 824696811 /nfs/dbraw/zinc/69/68/11/824696811.db2.gz MLFFBSIVPZMDEM-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]Cc3ccnn32)C[NH2+]1 ZINC001219580169 824734275 /nfs/dbraw/zinc/73/42/75/824734275.db2.gz LAVVSHWAWNOFIX-NHCYSSNCSA-N 2 1 263.345 -0.216 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)c2c3c(nn2C)C[NH2+]C3)C[NH2+]1 ZINC001219593987 824739159 /nfs/dbraw/zinc/73/91/59/824739159.db2.gz USHFMVRFKNLVEY-IUCAKERBSA-N 2 1 263.345 -0.106 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219608089 824853350 /nfs/dbraw/zinc/85/33/50/824853350.db2.gz OOMGWLOMNBQYDF-SCZZXKLOSA-N 2 1 291.277 -0.310 20 0 CBADMP [NH3+]CCCNCC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610087 824853974 /nfs/dbraw/zinc/85/39/74/824853974.db2.gz KVTUFURSRKEGLE-SECBINFHSA-N 2 1 268.283 -0.665 20 0 CBADMP [NH3+][C@@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1cccs1 ZINC001219616249 824856914 /nfs/dbraw/zinc/85/69/14/824856914.db2.gz UGXKIAXVEFOYCY-HOSYDEDBSA-N 2 1 287.360 -0.073 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccnn32)C1 ZINC001219638056 824868657 /nfs/dbraw/zinc/86/86/57/824868657.db2.gz IZUQXUUWIYCFBF-LOWVWBTDSA-N 2 1 277.372 -0.111 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)CN2CC[NH+](C)CC2)C1 ZINC001219642866 824871918 /nfs/dbraw/zinc/87/19/18/824871918.db2.gz YOTJCLVYSOSQRL-QWHCGFSZSA-N 2 1 268.405 -0.404 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@H]1C[NH2+][C@H](C)C1 ZINC001219685317 824877992 /nfs/dbraw/zinc/87/79/92/824877992.db2.gz ZUFJNEAJLLQJOU-BBBLOLIVSA-N 2 1 257.334 -0.619 20 0 CBADMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764679 824890336 /nfs/dbraw/zinc/89/03/36/824890336.db2.gz JUZLIRNCOHAEGF-MQYQWHSLSA-N 2 1 280.416 -0.216 20 0 CBADMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764679 824890340 /nfs/dbraw/zinc/89/03/40/824890340.db2.gz JUZLIRNCOHAEGF-MQYQWHSLSA-N 2 1 280.416 -0.216 20 0 CBADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764681 824891721 /nfs/dbraw/zinc/89/17/21/824891721.db2.gz JUZLIRNCOHAEGF-YIYPIFLZSA-N 2 1 280.416 -0.216 20 0 CBADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764681 824891723 /nfs/dbraw/zinc/89/17/23/824891723.db2.gz JUZLIRNCOHAEGF-YIYPIFLZSA-N 2 1 280.416 -0.216 20 0 CBADMP [NH3+][C@@H](CC1CCC1)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765987 824891756 /nfs/dbraw/zinc/89/17/56/824891756.db2.gz KGMZALHHUVNGSW-RDBSUJKOSA-N 2 1 280.416 -0.086 20 0 CBADMP [NH3+][C@@H](CC1CCC1)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765987 824891758 /nfs/dbraw/zinc/89/17/58/824891758.db2.gz KGMZALHHUVNGSW-RDBSUJKOSA-N 2 1 280.416 -0.086 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)NC2CC3(C2)CC[NH2+]CC3)C1 ZINC001219777838 824893535 /nfs/dbraw/zinc/89/35/35/824893535.db2.gz RXFANAPPGTVFBN-ONGXEEELSA-N 2 1 252.362 -0.676 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804288 824895511 /nfs/dbraw/zinc/89/55/11/824895511.db2.gz RGLVKSGRXWGINH-RDBSUJKOSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802457 824895887 /nfs/dbraw/zinc/89/58/87/824895887.db2.gz PASIFUMQWNYQAZ-TUAOUCFPSA-N 2 1 285.388 -0.987 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001219818804 824897454 /nfs/dbraw/zinc/89/74/54/824897454.db2.gz OABZPJNMLROWBP-CRWXNKLISA-N 2 1 274.368 -0.105 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219813933 824897811 /nfs/dbraw/zinc/89/78/11/824897811.db2.gz LOXFUBNHQDPVME-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1CN(CCF)C[C@@H]1O)C1CCC1 ZINC001219813739 824898213 /nfs/dbraw/zinc/89/82/13/824898213.db2.gz BPNYOHIIEJKTHF-NEPJUHHUSA-N 2 1 273.352 -0.399 20 0 CBADMP [NH3+][C@H](C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)c1ccsc1 ZINC001219854320 824903402 /nfs/dbraw/zinc/90/34/02/824903402.db2.gz HYRRYZDYGOUJKY-YTWAJWBKSA-N 2 1 267.354 -0.149 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219872555 824905716 /nfs/dbraw/zinc/90/57/16/824905716.db2.gz MEQZVLSMVZAMPB-CQSZACIVSA-N 3 1 288.395 -0.217 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219872555 824905722 /nfs/dbraw/zinc/90/57/22/824905722.db2.gz MEQZVLSMVZAMPB-CQSZACIVSA-N 3 1 288.395 -0.217 20 0 CBADMP C[NH+](C)CCCCCNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001219920212 824915531 /nfs/dbraw/zinc/91/55/31/824915531.db2.gz BMPAEZYFLNHSAE-CQSZACIVSA-N 2 1 299.463 -0.415 20 0 CBADMP CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC1 ZINC001219954918 824921656 /nfs/dbraw/zinc/92/16/56/824921656.db2.gz YHQPYYUNQUVWMG-PWSUYJOCSA-N 2 1 254.378 -0.334 20 0 CBADMP COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])c1ccc(OC)cc1 ZINC001219974822 824927551 /nfs/dbraw/zinc/92/75/51/824927551.db2.gz GSJGVGGDHIBNDE-NWDGAFQWSA-N 2 1 295.339 -0.298 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220071487 824950540 /nfs/dbraw/zinc/95/05/40/824950540.db2.gz GCCWEYPMXFYKKV-CYBMUJFWSA-N 3 1 277.372 -0.085 20 0 CBADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]([NH3+])Cc1cccc(O)c1 ZINC001220103301 824955226 /nfs/dbraw/zinc/95/52/26/824955226.db2.gz NNENAVSSIWKXCO-LBPRGKRZSA-N 3 1 293.371 -0.277 20 0 CBADMP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CC[NH3+])[C@@H](C)OC1 ZINC001220139644 824965660 /nfs/dbraw/zinc/96/56/60/824965660.db2.gz VEZOGFNGYKVBRS-APPZFPTMSA-N 2 1 271.317 -0.985 20 0 CBADMP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC1C[NH+](C(C)C)C1 ZINC001220158704 824972081 /nfs/dbraw/zinc/97/20/81/824972081.db2.gz FOPKZJGHQPLXBK-LBPRGKRZSA-N 2 1 284.404 -0.315 20 0 CBADMP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1COC[NH2+]1 ZINC001220159376 824972539 /nfs/dbraw/zinc/97/25/39/824972539.db2.gz OCLQLBFOPBQWGA-NTZNESFSSA-N 2 1 253.346 -0.029 20 0 CBADMP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC[S@@](C)=O)C1 ZINC001220160405 824975357 /nfs/dbraw/zinc/97/53/57/824975357.db2.gz YXJTVWHXLKYYCI-FJHFEUQMSA-N 2 1 261.391 -0.707 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC[S@@](C)=O)C1 ZINC001220160405 824975363 /nfs/dbraw/zinc/97/53/63/824975363.db2.gz YXJTVWHXLKYYCI-FJHFEUQMSA-N 2 1 261.391 -0.707 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H]1CCNCC1(F)F ZINC001220185349 824982155 /nfs/dbraw/zinc/98/21/55/824982155.db2.gz GJGYFVFSOAKHGS-YUMQZZPRSA-N 2 1 250.293 -0.977 20 0 CBADMP O=C(NCC1([NH+]2CCCC2)COC1)C1CC2(C[NH2+]C2)C1 ZINC001220197651 824984349 /nfs/dbraw/zinc/98/43/49/824984349.db2.gz MWBLOIWPJXYCGA-UHFFFAOYSA-N 2 1 279.384 -0.033 20 0 CBADMP CCCNC(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001220232776 824991086 /nfs/dbraw/zinc/99/10/86/824991086.db2.gz OYQAKGHWSWDBTM-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237914 824991140 /nfs/dbraw/zinc/99/11/40/824991140.db2.gz HRUYYUGHLRCKBZ-XQQFMLRXSA-N 2 1 287.404 -0.476 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233618 824991481 /nfs/dbraw/zinc/99/14/81/824991481.db2.gz CWCVHQMHEVNCBT-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)CNC1CC[NH2+]CC1 ZINC001220251729 824993988 /nfs/dbraw/zinc/99/39/88/824993988.db2.gz CTOKHIWZLWXEGX-CYBMUJFWSA-N 2 1 268.405 -0.072 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220251729 824993994 /nfs/dbraw/zinc/99/39/94/824993994.db2.gz CTOKHIWZLWXEGX-CYBMUJFWSA-N 3 1 268.405 -0.072 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220251729 824993998 /nfs/dbraw/zinc/99/39/98/824993998.db2.gz CTOKHIWZLWXEGX-CYBMUJFWSA-N 3 1 268.405 -0.072 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[N@@H+]1C ZINC001220251679 824994048 /nfs/dbraw/zinc/99/40/48/824994048.db2.gz BMHZYOVLNXPQJL-QWRGUYRKSA-N 2 1 257.334 -0.523 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220252005 824995835 /nfs/dbraw/zinc/99/58/35/824995835.db2.gz LLCCBTGACVVGKV-AAEUAGOBSA-N 2 1 254.378 -0.332 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)C1(N)CC[NH2+]CC1 ZINC001220252381 824996334 /nfs/dbraw/zinc/99/63/34/824996334.db2.gz YLRAQBXHAUYQEI-LLVKDONJSA-N 2 1 254.378 -0.332 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220254779 824997832 /nfs/dbraw/zinc/99/78/32/824997832.db2.gz XCADZZGCSDDFKE-MNOVXSKESA-N 3 1 274.434 -0.394 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@H](CO)C(F)(F)F ZINC001220447651 825040948 /nfs/dbraw/zinc/04/09/48/825040948.db2.gz NKBDZNJNOJRQLP-MRVPVSSYSA-N 2 1 269.267 -0.633 20 0 CBADMP CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276953 825003249 /nfs/dbraw/zinc/00/32/49/825003249.db2.gz OUAGGXFZSMRSDU-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001220275071 825003961 /nfs/dbraw/zinc/00/39/61/825003961.db2.gz OAMRAVORMHWTLI-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC001220303915 825010081 /nfs/dbraw/zinc/01/00/81/825010081.db2.gz IUSOBUAYDCUWHW-ZDUSSCGKSA-N 2 1 268.405 -0.118 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001220307162 825010186 /nfs/dbraw/zinc/01/01/86/825010186.db2.gz SYZMGTBXOFHFQQ-CQSZACIVSA-N 3 1 297.447 -0.933 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@H]2CC[C@@H]2[NH3+])CC1 ZINC001220304024 825010371 /nfs/dbraw/zinc/01/03/71/825010371.db2.gz MFLILKMAPOVAFJ-RYUDHWBXSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)c1cnn(C)c1 ZINC001220309129 825012671 /nfs/dbraw/zinc/01/26/71/825012671.db2.gz USYMVYVLOASZAN-SNVBAGLBSA-N 2 1 265.361 -0.061 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316896 825013704 /nfs/dbraw/zinc/01/37/04/825013704.db2.gz UMJBYDSKNMAEMN-YRGRVCCFSA-N 2 1 293.371 -0.693 20 0 CBADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001220333311 825016965 /nfs/dbraw/zinc/01/69/65/825016965.db2.gz TUNSOKLAWKEBHR-XQQFMLRXSA-N 2 1 268.405 -0.088 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[NH+](CC)CC ZINC001220344745 825019294 /nfs/dbraw/zinc/01/92/94/825019294.db2.gz HTQBTYYEHPYXKK-AGIUHOORSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[NH+](CC)CC ZINC001220344745 825019297 /nfs/dbraw/zinc/01/92/97/825019297.db2.gz HTQBTYYEHPYXKK-AGIUHOORSA-N 2 1 287.404 -0.740 20 0 CBADMP CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355489 825020051 /nfs/dbraw/zinc/02/00/51/825020051.db2.gz RNXCBJFYTDJNRS-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355489 825020059 /nfs/dbraw/zinc/02/00/59/825020059.db2.gz RNXCBJFYTDJNRS-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355489 825020062 /nfs/dbraw/zinc/02/00/62/825020062.db2.gz RNXCBJFYTDJNRS-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355489 825020068 /nfs/dbraw/zinc/02/00/68/825020068.db2.gz RNXCBJFYTDJNRS-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220352245 825020620 /nfs/dbraw/zinc/02/06/20/825020620.db2.gz ZWWROBAOFIDKQY-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220352245 825020627 /nfs/dbraw/zinc/02/06/27/825020627.db2.gz ZWWROBAOFIDKQY-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220352245 825020632 /nfs/dbraw/zinc/02/06/32/825020632.db2.gz ZWWROBAOFIDKQY-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ccc2[nH]nnc2c1 ZINC001220426462 825036892 /nfs/dbraw/zinc/03/68/92/825036892.db2.gz HJZMFQYRQJMYTK-VIFPVBQESA-N 2 1 294.384 -0.407 20 0 CBADMP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ccc2nn[nH]c2c1 ZINC001220426462 825036902 /nfs/dbraw/zinc/03/69/02/825036902.db2.gz HJZMFQYRQJMYTK-VIFPVBQESA-N 2 1 294.384 -0.407 20 0 CBADMP O=C(NC1CC[NH+](CCF)CC1)[C@H]1[NH2+]CC[C@H]1O ZINC001220435151 825039219 /nfs/dbraw/zinc/03/92/19/825039219.db2.gz AEYGRVUQZDKQAW-MNOVXSKESA-N 2 1 259.325 -0.741 20 0 CBADMP O=C(NC1CC[NH+](CCF)CC1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220436234 825039235 /nfs/dbraw/zinc/03/92/35/825039235.db2.gz SIXKQJFVZYHJAK-MNOVXSKESA-N 2 1 259.325 -0.883 20 0 CBADMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1COCCN1 ZINC001220431867 825039531 /nfs/dbraw/zinc/03/95/31/825039531.db2.gz RUYRPXNBBCUIAV-STQMWFEESA-N 2 1 286.420 -0.413 20 0 CBADMP O=C(CNC1CC[NH2+]CC1)NC1CC[NH+](CCF)CC1 ZINC001220435287 825039758 /nfs/dbraw/zinc/03/97/58/825039758.db2.gz GIFNQKCWUNNMGO-UHFFFAOYSA-N 2 1 286.395 -0.122 20 0 CBADMP N[C@]1(C(=O)NC2CC[NH+](CCF)CC2)CCC[NH2+]C1 ZINC001220436095 825039922 /nfs/dbraw/zinc/03/99/22/825039922.db2.gz QVPKMUSYMCXGRG-CYBMUJFWSA-N 2 1 272.368 -0.383 20 0 CBADMP O=C(CC1CC[NH2+]CC1)NCC[NH+]1CC2(COC2)C1 ZINC001220570804 825064737 /nfs/dbraw/zinc/06/47/37/825064737.db2.gz AMOGUPSIBNJONB-UHFFFAOYSA-N 2 1 267.373 -0.176 20 0 CBADMP O=C(NCC[NH+]1CC2(COC2)C1)C1CC[NH2+]CC1 ZINC001220571090 825066232 /nfs/dbraw/zinc/06/62/32/825066232.db2.gz IKPQGQRFXJTJQS-UHFFFAOYSA-N 2 1 253.346 -0.566 20 0 CBADMP O=C(NCC[NH+]1CC2(COC2)C1)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220571149 825066253 /nfs/dbraw/zinc/06/62/53/825066253.db2.gz KFLKNFPNKUHUDM-MNOVXSKESA-N 2 1 271.336 -0.618 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001220578663 825069386 /nfs/dbraw/zinc/06/93/86/825069386.db2.gz NALCYTQPTGYDDI-NEPJUHHUSA-N 2 1 275.368 -0.151 20 0 CBADMP COC(=O)[C@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)C(F)(F)F ZINC001220587978 825070579 /nfs/dbraw/zinc/07/05/79/825070579.db2.gz MKELFBRRIULEAD-VIFPVBQESA-N 2 1 297.277 -0.452 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638154 825078969 /nfs/dbraw/zinc/07/89/69/825078969.db2.gz UQVODZDBVODJJQ-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001220680787 825084859 /nfs/dbraw/zinc/08/48/59/825084859.db2.gz RAGXESIQQYUEEP-HGCLJGPKSA-N 2 1 252.362 -0.535 20 0 CBADMP NCc1ncccc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220710923 825090802 /nfs/dbraw/zinc/09/08/02/825090802.db2.gz FUOCYRMKHNLFMQ-VIFPVBQESA-N 2 1 261.329 -0.712 20 0 CBADMP C[C@](CO)(NC(=O)[C@@H]([NH3+])CC[NH3+])c1ccccc1 ZINC001220710935 825090942 /nfs/dbraw/zinc/09/09/42/825090942.db2.gz FZIQAGYCFDBDRR-WCQYABFASA-N 2 1 251.330 -0.314 20 0 CBADMP NCc1ncccc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220710922 825091952 /nfs/dbraw/zinc/09/19/52/825091952.db2.gz FUOCYRMKHNLFMQ-SECBINFHSA-N 2 1 261.329 -0.712 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1[NH2+]CC[C@@H]1O)C2 ZINC001220716637 825093498 /nfs/dbraw/zinc/09/34/98/825093498.db2.gz MONFITBHILHZIV-WJTVCTBASA-N 2 1 267.373 -0.159 20 0 CBADMP CC1(C)[C@H](O)C[C@@H]1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220765677 825099421 /nfs/dbraw/zinc/09/94/21/825099421.db2.gz CKRXUPQPBLODCV-WDEREUQCSA-N 2 1 255.362 -0.396 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220788453 825102565 /nfs/dbraw/zinc/10/25/65/825102565.db2.gz DZWNFVNRFMVLOL-AVGNSLFASA-N 3 1 277.372 -0.476 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CC[NH2+][C@@H]2c2cccnc2)C1 ZINC001220788593 825102899 /nfs/dbraw/zinc/10/28/99/825102899.db2.gz FHEMOSDFFAZQHA-XDQVBPFNSA-N 2 1 289.383 -0.462 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798867 825103312 /nfs/dbraw/zinc/10/33/12/825103312.db2.gz JKKBFYQCRDQHPU-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1COC[NH2+]1 ZINC001220799579 825103461 /nfs/dbraw/zinc/10/34/61/825103461.db2.gz CVIREEGSIWBTJK-RNJXMRFFSA-N 2 1 267.251 -0.411 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001220816793 825105329 /nfs/dbraw/zinc/10/53/29/825105329.db2.gz AMBHZFOUEYKIBB-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](C)OC)C[C@@H]1O ZINC001220828849 825108449 /nfs/dbraw/zinc/10/84/49/825108449.db2.gz FNDFAXIBEZIEIL-XQQFMLRXSA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)COC)C[C@@H]1O ZINC001220830561 825109047 /nfs/dbraw/zinc/10/90/47/825109047.db2.gz BZFRNUWDUJDPRO-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)COC)C[C@@H]1O ZINC001220830561 825109052 /nfs/dbraw/zinc/10/90/52/825109052.db2.gz BZFRNUWDUJDPRO-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@@H]1O ZINC001220830561 825109057 /nfs/dbraw/zinc/10/90/57/825109057.db2.gz BZFRNUWDUJDPRO-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCO[C@@H]1CCCCO1 ZINC001220861962 825113651 /nfs/dbraw/zinc/11/36/51/825113651.db2.gz KLEAGRSEPGFIHP-CQSZACIVSA-N 2 1 285.388 -0.013 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220857917 825114304 /nfs/dbraw/zinc/11/43/04/825114304.db2.gz XYQYADWZSWIBQN-IUCAKERBSA-N 2 1 259.350 -0.244 20 0 CBADMP COC(=O)[C@H]1C[C@@H]1CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220881337 825118991 /nfs/dbraw/zinc/11/89/91/825118991.db2.gz ITJXYSHLAFAXPT-KOLCDFICSA-N 2 1 269.345 -0.747 20 0 CBADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC001220889223 825121007 /nfs/dbraw/zinc/12/10/07/825121007.db2.gz GDDBFMGWGMCVHN-VXGBXAGGSA-N 2 1 268.405 -0.073 20 0 CBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC001220889220 825121464 /nfs/dbraw/zinc/12/14/64/825121464.db2.gz GDDBFMGWGMCVHN-NEPJUHHUSA-N 2 1 268.405 -0.073 20 0 CBADMP N=c1ncc(C[NH3+])cn1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220950981 825129238 /nfs/dbraw/zinc/12/92/38/825129238.db2.gz MMDNQRJHSVJFKV-LLVKDONJSA-N 2 1 290.371 -0.664 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220980910 825131446 /nfs/dbraw/zinc/13/14/46/825131446.db2.gz BJMPDLGUKQZIRD-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)Oc1nccc(CNC(=O)[C@@H]([NH3+])CC[NH3+])n1 ZINC001220988502 825132969 /nfs/dbraw/zinc/13/29/69/825132969.db2.gz LDLPHASQZNLTME-JTQLQIEISA-N 2 1 267.333 -0.444 20 0 CBADMP O=C(NCc1[nH+]cn2ccccc12)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001221007589 825134452 /nfs/dbraw/zinc/13/44/52/825134452.db2.gz ADDQMZFUESIMOL-NHYWBVRUSA-N 2 1 285.351 -0.098 20 0 CBADMP O=C(NCc1[nH+]cn2ccccc12)[C@H]1[NH2+]CC[C@H]1O ZINC001221008446 825135120 /nfs/dbraw/zinc/13/51/20/825135120.db2.gz SYMOBMIOUAKZCT-NEPJUHHUSA-N 2 1 260.297 -0.327 20 0 CBADMP N[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1[nH+]cn2ccccc12 ZINC001221008574 825135795 /nfs/dbraw/zinc/13/57/95/825135795.db2.gz WTUJVJDHVBBBPS-UWVGGRQHSA-N 2 1 259.313 -0.503 20 0 CBADMP O=C(NCc1[nH+]cn2ccccc12)[C@H]1C[NH2+]C[C@H]1O ZINC001221007874 825135883 /nfs/dbraw/zinc/13/58/83/825135883.db2.gz GNAUVSJNPLLYID-JOYOIKCWSA-N 2 1 260.297 -0.469 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081467 825141453 /nfs/dbraw/zinc/14/14/53/825141453.db2.gz NJOMCXARGOMNGG-MJBXVCDLSA-N 2 1 299.415 -0.596 20 0 CBADMP [NH3+]CCCNCC(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221123963 825145551 /nfs/dbraw/zinc/14/55/51/825145551.db2.gz QLWDTNDUCJPVQT-UHFFFAOYSA-N 2 1 291.399 -0.285 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)NC2(c3cccnc3)CC[NH2+]CC2)C1 ZINC001221123961 825145611 /nfs/dbraw/zinc/14/56/11/825145611.db2.gz QIJJSMAHVLWDSV-STQMWFEESA-N 2 1 289.383 -0.534 20 0 CBADMP COCCC1([NH3+])CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)CC1 ZINC001221134150 825146833 /nfs/dbraw/zinc/14/68/33/825146833.db2.gz NEASDRAQERNTKE-JMSVASOKSA-N 2 1 296.415 -0.435 20 0 CBADMP Cc1cccc([C@@H](CO)NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001221192034 825151646 /nfs/dbraw/zinc/15/16/46/825151646.db2.gz CKIABRQITRGZHH-NWDGAFQWSA-N 2 1 251.330 -0.179 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001221241422 825159155 /nfs/dbraw/zinc/15/91/55/825159155.db2.gz VDMLBDROOUWYGD-BPLDGKMQSA-N 3 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001221243511 825160489 /nfs/dbraw/zinc/16/04/89/825160489.db2.gz JUHSPHRUMHNWGI-QWHCGFSZSA-N 2 1 254.378 -0.332 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001221254209 825162118 /nfs/dbraw/zinc/16/21/18/825162118.db2.gz JRFLECIUVMJVCY-UWVGGRQHSA-N 2 1 257.334 -0.665 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221254209 825162123 /nfs/dbraw/zinc/16/21/23/825162123.db2.gz JRFLECIUVMJVCY-UWVGGRQHSA-N 2 1 257.334 -0.665 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001221254535 825162203 /nfs/dbraw/zinc/16/22/03/825162203.db2.gz PJZAWTOUTUTFJI-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2NC1=O ZINC001221309890 825169567 /nfs/dbraw/zinc/16/95/67/825169567.db2.gz YRAZICBEXOMCNH-ZJUUUORDSA-N 2 1 262.313 -0.485 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NCCCC[NH3+])C1 ZINC001221348387 825174655 /nfs/dbraw/zinc/17/46/55/825174655.db2.gz HKJZEPBBWLMHGU-JTQLQIEISA-N 2 1 257.334 -0.664 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NCCCC[NH3+])C1 ZINC001221348387 825174657 /nfs/dbraw/zinc/17/46/57/825174657.db2.gz HKJZEPBBWLMHGU-JTQLQIEISA-N 2 1 257.334 -0.664 20 0 CBADMP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[NH2+]CCN1 ZINC001221358530 825176022 /nfs/dbraw/zinc/17/60/22/825176022.db2.gz PLMJALVANZZLLY-CHWSQXEVSA-N 2 1 298.431 -0.589 20 0 CBADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)N[C@@H]2C[NH2+]CC[C@H]2F)C1 ZINC001221365463 825176261 /nfs/dbraw/zinc/17/62/61/825176261.db2.gz DFROZGCLNUMUSI-IJLUTSLNSA-N 2 1 286.395 -0.125 20 0 CBADMP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2C[C@H](N)C[NH2+]2)c1 ZINC001221402694 825183358 /nfs/dbraw/zinc/18/33/58/825183358.db2.gz CTQHZEYYUYAOLU-DRZSPHRISA-N 2 1 278.356 -0.500 20 0 CBADMP [NH3+]CCCNCC(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221407801 825184777 /nfs/dbraw/zinc/18/47/77/825184777.db2.gz FABBMRYZQWQLDI-ZDUSSCGKSA-N 2 1 254.378 -0.571 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2N)[C@@H](C)C1 ZINC001221409530 825185314 /nfs/dbraw/zinc/18/53/14/825185314.db2.gz OSQYEBRINRIXBZ-ZDEQEGDKSA-N 2 1 268.405 -0.232 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2N)[C@@H](C)C1 ZINC001221409527 825185337 /nfs/dbraw/zinc/18/53/37/825185337.db2.gz OSQYEBRINRIXBZ-CYDGBPFRSA-N 2 1 268.405 -0.232 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)C1 ZINC001221411416 825187632 /nfs/dbraw/zinc/18/76/32/825187632.db2.gz WBYZVHCCHPMEAU-WOPDTQHZSA-N 2 1 252.362 -0.820 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791234 825194188 /nfs/dbraw/zinc/19/41/88/825194188.db2.gz CAEULVABHQXKSQ-JHJVBQTASA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791234 825194189 /nfs/dbraw/zinc/19/41/89/825194189.db2.gz CAEULVABHQXKSQ-JHJVBQTASA-N 2 1 296.415 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001221920588 825197338 /nfs/dbraw/zinc/19/73/38/825197338.db2.gz MGWRSPZALXVVAO-YNEHKIRRSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001221920588 825197321 /nfs/dbraw/zinc/19/73/21/825197321.db2.gz MGWRSPZALXVVAO-YNEHKIRRSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001221920588 825197326 /nfs/dbraw/zinc/19/73/26/825197326.db2.gz MGWRSPZALXVVAO-YNEHKIRRSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001221920588 825197333 /nfs/dbraw/zinc/19/73/33/825197333.db2.gz MGWRSPZALXVVAO-YNEHKIRRSA-N 2 1 296.415 -0.265 20 0 CBADMP COCC[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946859 825197554 /nfs/dbraw/zinc/19/75/54/825197554.db2.gz GIILIWVUQUCFHH-ZIAGYGMSSA-N 2 1 299.415 -0.256 20 0 CBADMP [NH3+]C12CC(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)(C1)C2 ZINC001222086054 825198714 /nfs/dbraw/zinc/19/87/14/825198714.db2.gz RNBZNTAFJWUQFU-UHFFFAOYSA-N 3 1 250.390 -0.105 20 0 CBADMP O=C1CC[C@H](C[N@H+]2CCNC3(CC[NH2+]CC3)C2)N1 ZINC001222085933 825198832 /nfs/dbraw/zinc/19/88/32/825198832.db2.gz PNQAKMRHIMLHND-LLVKDONJSA-N 2 1 252.362 -0.708 20 0 CBADMP Cn1c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cccc1=O ZINC001222109253 825200394 /nfs/dbraw/zinc/20/03/94/825200394.db2.gz COMIYDTWKBKPCE-UHFFFAOYSA-N 2 1 276.384 -0.087 20 0 CBADMP c1nc2n(c1C[N@H+]1CCNC3(CC[NH2+]CC3)C1)CCNC2 ZINC001222109841 825201568 /nfs/dbraw/zinc/20/15/68/825201568.db2.gz QCIKMWNMMSWQFJ-UHFFFAOYSA-N 2 1 290.415 -0.486 20 0 CBADMP c1c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)nc2n1CCOC2 ZINC001222502209 825212097 /nfs/dbraw/zinc/21/20/97/825212097.db2.gz GQGMTVSTJRVBLF-KBPBESRZSA-N 2 1 291.399 -0.061 20 0 CBADMP Nc1cnc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cn1 ZINC001222511079 825215071 /nfs/dbraw/zinc/21/50/71/825215071.db2.gz NHFOAQKERPABEL-RYUDHWBXSA-N 2 1 262.361 -0.415 20 0 CBADMP O=c1cc[nH]cc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222511522 825215387 /nfs/dbraw/zinc/21/53/87/825215387.db2.gz ZRCGAQWWMWGZPX-STQMWFEESA-N 2 1 262.357 -0.099 20 0 CBADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001223917000 825232937 /nfs/dbraw/zinc/23/29/37/825232937.db2.gz YTEDGDOXLMWMEP-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001224560769 825243536 /nfs/dbraw/zinc/24/35/36/825243536.db2.gz XDAKVJQFXWNMPA-GFCCVEGCSA-N 2 1 296.415 -0.358 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1CC[NH+](CC(=O)NC)CC1 ZINC001225087314 825252887 /nfs/dbraw/zinc/25/28/87/825252887.db2.gz ASIUYOVVVPQMCP-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001225345668 825256586 /nfs/dbraw/zinc/25/65/86/825256586.db2.gz CHDUJEBRLKAAGV-UPJWGTAASA-N 2 1 296.415 -0.156 20 0 CBADMP COC[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001226555136 825280721 /nfs/dbraw/zinc/28/07/21/825280721.db2.gz SSOVXFJJUBDUSG-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001226554887 825280933 /nfs/dbraw/zinc/28/09/33/825280933.db2.gz SSOVXFJJUBDUSG-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001227833447 825307789 /nfs/dbraw/zinc/30/77/89/825307789.db2.gz YVBSIRJPUULTOO-LLVKDONJSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001227833447 825307800 /nfs/dbraw/zinc/30/78/00/825307800.db2.gz YVBSIRJPUULTOO-LLVKDONJSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001227876395 825309552 /nfs/dbraw/zinc/30/95/52/825309552.db2.gz HKQWGTDNKWOUQH-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001227876395 825309559 /nfs/dbraw/zinc/30/95/59/825309559.db2.gz HKQWGTDNKWOUQH-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@H](C(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1)[NH+](C)C ZINC001227979477 825311943 /nfs/dbraw/zinc/31/19/43/825311943.db2.gz HOQUYCLLCUAJDH-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+](C)CCC(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001229901136 825339451 /nfs/dbraw/zinc/33/94/51/825339451.db2.gz KWVHMSKOBZFPJA-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001229901136 825339455 /nfs/dbraw/zinc/33/94/55/825339455.db2.gz KWVHMSKOBZFPJA-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP CN(C[C@@H]1CC[N@@H+]1CCOCCO)C(=O)[C@H]1CCC[NH+]1C ZINC001231217927 825398831 /nfs/dbraw/zinc/39/88/31/825398831.db2.gz SURFFJPHVNNMRH-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)[C@H]1CCC[NH+]1C ZINC001231217927 825398835 /nfs/dbraw/zinc/39/88/35/825398835.db2.gz SURFFJPHVNNMRH-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCOCCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001231217927 825398843 /nfs/dbraw/zinc/39/88/43/825398843.db2.gz SURFFJPHVNNMRH-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCOCCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001231217927 825398850 /nfs/dbraw/zinc/39/88/50/825398850.db2.gz SURFFJPHVNNMRH-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CCOCCN1CC[C@H]1CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001231369820 825405432 /nfs/dbraw/zinc/40/54/32/825405432.db2.gz WLBWKQUXYRQXDB-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CC(=O)N1CCC(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)CC1 ZINC001234978651 825477929 /nfs/dbraw/zinc/47/79/29/825477929.db2.gz BNDKRXXHDJNLGK-HNNXBMFYSA-N 2 1 280.416 -0.118 20 0 CBADMP C(CN1CC[NH2+]C[C@@]12CC[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC001234981588 825480298 /nfs/dbraw/zinc/48/02/98/825480298.db2.gz OTHVDCGYVYWFPY-OLZOCXBDSA-N 3 1 254.378 -0.998 20 0 CBADMP C[NH+]1CCC(CN2CC[NH2+]C[C@]23CC[NH2+]C3)CC1 ZINC001234982279 825480315 /nfs/dbraw/zinc/48/03/15/825480315.db2.gz RXCNMQQSWMULGD-CQSZACIVSA-N 3 1 252.406 -0.035 20 0 CBADMP Nc1nc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cs1 ZINC001234985457 825480961 /nfs/dbraw/zinc/48/09/61/825480961.db2.gz BGNHFWQMZQYBGR-LLVKDONJSA-N 2 1 253.375 -0.137 20 0 CBADMP C[N@H+]1CCC[C@@H](CN2CCNC[C@]23CC[NH2+]C3)C1 ZINC001234982552 825481032 /nfs/dbraw/zinc/48/10/32/825481032.db2.gz UUFVTJFXFGQOSE-ZIAGYGMSSA-N 2 1 252.406 -0.035 20 0 CBADMP C[N@@H+]1CCC[C@@H](CN2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001234982552 825481038 /nfs/dbraw/zinc/48/10/38/825481038.db2.gz UUFVTJFXFGQOSE-ZIAGYGMSSA-N 3 1 252.406 -0.035 20 0 CBADMP C[N@H+]1CCC[C@@H](CN2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001234982552 825481045 /nfs/dbraw/zinc/48/10/45/825481045.db2.gz UUFVTJFXFGQOSE-ZIAGYGMSSA-N 3 1 252.406 -0.035 20 0 CBADMP Nc1nc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cs1 ZINC001234985465 825481288 /nfs/dbraw/zinc/48/12/88/825481288.db2.gz BGNHFWQMZQYBGR-NSHDSACASA-N 2 1 253.375 -0.137 20 0 CBADMP Cn1c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cccc1=O ZINC001234992892 825481900 /nfs/dbraw/zinc/48/19/00/825481900.db2.gz LGMYOZZPJLTFNP-AWEZNQCLSA-N 2 1 262.357 -0.477 20 0 CBADMP Cn1c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cccc1=O ZINC001234992904 825482217 /nfs/dbraw/zinc/48/22/17/825482217.db2.gz LGMYOZZPJLTFNP-CQSZACIVSA-N 2 1 262.357 -0.477 20 0 CBADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235055354 825485218 /nfs/dbraw/zinc/48/52/18/825485218.db2.gz VFTPJKQXVKOSPK-ZDUSSCGKSA-N 2 1 279.344 -0.666 20 0 CBADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235055354 825485224 /nfs/dbraw/zinc/48/52/24/825485224.db2.gz VFTPJKQXVKOSPK-ZDUSSCGKSA-N 2 1 279.344 -0.666 20 0 CBADMP CC(=O)N1CCC[C@H](C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001235053524 825485601 /nfs/dbraw/zinc/48/56/01/825485601.db2.gz UJNRSLFKXKEWQD-CABCVRRESA-N 2 1 280.416 -0.118 20 0 CBADMP [NH3+]CCCC[N@@H+]1CCNC[C@]2(CCCC(=O)N2)C1 ZINC001235173653 825487094 /nfs/dbraw/zinc/48/70/94/825487094.db2.gz DJRWKLQDHBBNOM-CYBMUJFWSA-N 2 1 254.378 -0.331 20 0 CBADMP [NH3+]CCCC[N@H+]1CCNC[C@]2(CCCC(=O)N2)C1 ZINC001235173653 825487099 /nfs/dbraw/zinc/48/70/99/825487099.db2.gz DJRWKLQDHBBNOM-CYBMUJFWSA-N 2 1 254.378 -0.331 20 0 CBADMP C[C@H]([NH3+])CN1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001235519546 825499417 /nfs/dbraw/zinc/49/94/17/825499417.db2.gz XRDBWWMOTKSYFD-XQQFMLRXSA-N 2 1 277.372 -0.039 20 0 CBADMP CNC(=O)CN1C(=O)CC[C@@]12CCC[N@@H+](CCCC[NH3+])C2 ZINC001235520098 825500888 /nfs/dbraw/zinc/50/08/88/825500888.db2.gz ZASWBLVTNLESRW-OAHLLOKOSA-N 2 1 296.415 -0.072 20 0 CBADMP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(CC[NH3+])CC2)C1=O ZINC001235569579 825505253 /nfs/dbraw/zinc/50/52/53/825505253.db2.gz RGSKHAJMWUKHCH-UHFFFAOYSA-N 3 1 297.447 -0.885 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(CC[NH3+])CC2)C1=O ZINC001235569579 825505256 /nfs/dbraw/zinc/50/52/56/825505256.db2.gz RGSKHAJMWUKHCH-UHFFFAOYSA-N 3 1 297.447 -0.885 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CCC[C@@H](C[NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001235674323 825512058 /nfs/dbraw/zinc/51/20/58/825512058.db2.gz RPPAATRXCRIFIW-WJTVCTBASA-N 2 1 286.372 -0.106 20 0 CBADMP C([C@H]1CCOC1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235864089 825515707 /nfs/dbraw/zinc/51/57/07/825515707.db2.gz CHCMFKVWZOBYGF-CYBMUJFWSA-N 2 1 256.394 -0.893 20 0 CBADMP Cc1[nH+]cc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1C ZINC001235870085 825516484 /nfs/dbraw/zinc/51/64/84/825516484.db2.gz NKOHSFKCEAQQER-UHFFFAOYSA-N 3 1 280.420 -0.687 20 0 CBADMP C[NH+]1CCC(C[NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001235871078 825516609 /nfs/dbraw/zinc/51/66/09/825516609.db2.gz SMLSRIUVIXPMRX-UHFFFAOYSA-N 3 1 283.464 -0.587 20 0 CBADMP C[N@H+]1CCC[C@@H](CN2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001235871791 825516898 /nfs/dbraw/zinc/51/68/98/825516898.db2.gz XKEGAQGBXZVSIA-OAHLLOKOSA-N 3 1 283.464 -0.587 20 0 CBADMP Nc1ccncc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871600 825517100 /nfs/dbraw/zinc/51/71/00/825517100.db2.gz UFHWSOLCGGXJQB-UHFFFAOYSA-N 2 1 278.404 -0.921 20 0 CBADMP C([C@H]1CCCOC1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870155 825517128 /nfs/dbraw/zinc/51/71/28/825517128.db2.gz ODRGZMUMEKBNEV-CQSZACIVSA-N 2 1 270.421 -0.503 20 0 CBADMP COCC[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236024298 825519195 /nfs/dbraw/zinc/51/91/95/825519195.db2.gz YKVUATRBPLHALG-CZXHOFHRSA-N 2 1 268.357 -0.037 20 0 CBADMP C[NH2+]CCC[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236022605 825519564 /nfs/dbraw/zinc/51/95/64/825519564.db2.gz LNBPLFFJULQMGP-COMQUAJESA-N 3 1 281.400 -0.074 20 0 CBADMP CCOC(=O)C[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236021147 825520285 /nfs/dbraw/zinc/52/02/85/825520285.db2.gz HZHRLYODRLEAOS-ZAZJYDDPSA-N 2 1 296.367 -0.120 20 0 CBADMP C[N@@H+](CCO)Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001236259026 825525049 /nfs/dbraw/zinc/52/50/49/825525049.db2.gz MGDBBZVPPGNMTL-UHFFFAOYSA-N 2 1 250.346 -0.085 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@H]1N ZINC001236346207 825529475 /nfs/dbraw/zinc/52/94/75/825529475.db2.gz YFQUHCDSPWGMJI-VXGBXAGGSA-N 2 1 255.362 -0.240 20 0 CBADMP COC(=O)[C@@H]1CN(CC2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC001236346207 825529480 /nfs/dbraw/zinc/52/94/80/825529480.db2.gz YFQUHCDSPWGMJI-VXGBXAGGSA-N 2 1 255.362 -0.240 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C)CCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236433919 825532752 /nfs/dbraw/zinc/53/27/52/825532752.db2.gz LFXDWPGLWIWWQN-QWRGUYRKSA-N 2 1 271.361 -0.500 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C)CCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236433919 825532758 /nfs/dbraw/zinc/53/27/58/825532758.db2.gz LFXDWPGLWIWWQN-QWRGUYRKSA-N 2 1 271.361 -0.500 20 0 CBADMP 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 825534128 /nfs/dbraw/zinc/53/41/28/825534128.db2.gz LDDMLMKGROMBMM-QSAXWINLSA-N 2 1 298.383 -0.107 20 0 CBADMP C[NH+]1CCN(c2ncccc2NS(=O)(=O)CC[NH3+])CC1 ZINC001237478823 825535398 /nfs/dbraw/zinc/53/53/98/825535398.db2.gz NRNVGMMAGSFLAN-UHFFFAOYSA-N 2 1 299.400 -0.466 20 0 CBADMP CC(=O)N1CC2(C1)C[N@H+](CCCC[NH3+])C[C@@H]2C(=O)N(C)C ZINC001237180427 825535528 /nfs/dbraw/zinc/53/55/28/825535528.db2.gz PHTCMAZDFWRRCB-CYBMUJFWSA-N 2 1 296.415 -0.406 20 0 CBADMP [NH3+]CCS(=O)(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001238837662 825566323 /nfs/dbraw/zinc/56/63/23/825566323.db2.gz XGJBVHWRFOLCHG-HAQNSBGRSA-N 2 1 291.417 -0.492 20 0 CBADMP CC[C@@H]1C[NH2+]CCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239089001 825587136 /nfs/dbraw/zinc/58/71/36/825587136.db2.gz QHDCPCNXSNAQFU-GFCCVEGCSA-N 2 1 275.418 0.000 20 0 CBADMP C[N@@H+]1CCN(S(=O)(=O)CC[NH3+])C2(CCCC2)C1 ZINC001239168138 825595167 /nfs/dbraw/zinc/59/51/67/825595167.db2.gz RMHXWFNXLZQIOI-UHFFFAOYSA-N 2 1 261.391 -0.165 20 0 CBADMP C[N@H+]1CCN(S(=O)(=O)CC[NH3+])C2(CCCC2)C1 ZINC001239168138 825595173 /nfs/dbraw/zinc/59/51/73/825595173.db2.gz RMHXWFNXLZQIOI-UHFFFAOYSA-N 2 1 261.391 -0.165 20 0 CBADMP [NH3+]C1(CNC[C@@H](O)CC2(O)CC[NH2+]CC2)CCCC1 ZINC001245977743 825616356 /nfs/dbraw/zinc/61/63/56/825616356.db2.gz ZQHYPHBTEFBQTO-LBPRGKRZSA-N 2 1 271.405 -0.287 20 0 CBADMP [NH3+]C1(CNC[C@H](O)CC2(O)CC[NH2+]CC2)CCCC1 ZINC001245977742 825616991 /nfs/dbraw/zinc/61/69/91/825616991.db2.gz ZQHYPHBTEFBQTO-GFCCVEGCSA-N 2 1 271.405 -0.287 20 0 CBADMP OCCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CC23C[NH2+]C3)cc1 ZINC001246011948 825620773 /nfs/dbraw/zinc/62/07/73/825620773.db2.gz ZYWHFUOEMWWYQJ-DZGCQCFKSA-N 2 1 292.379 -0.087 20 0 CBADMP CCN(CC)C[C@@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246010733 825621344 /nfs/dbraw/zinc/62/13/44/825621344.db2.gz ZMPZJSYJCXLGJX-RYUDHWBXSA-N 2 1 274.409 -0.738 20 0 CBADMP C[C@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)C[C@H]1C[NH3+] ZINC001246018225 825621911 /nfs/dbraw/zinc/62/19/11/825621911.db2.gz VFYXTPOOHFVGKA-YNEHKIRRSA-N 2 1 257.378 -0.794 20 0 CBADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC001246020392 825621944 /nfs/dbraw/zinc/62/19/44/825621944.db2.gz LATMQRUFGLBVOZ-KBPBESRZSA-N 2 1 289.395 -0.168 20 0 CBADMP CCCOC[C@H](O)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246017361 825622279 /nfs/dbraw/zinc/62/22/79/825622279.db2.gz ASRQSIVUSLYFOD-CHWSQXEVSA-N 2 1 260.378 -0.050 20 0 CBADMP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246020264 825622817 /nfs/dbraw/zinc/62/28/17/825622817.db2.gz KGSJXVANQMRXJG-AAEUAGOBSA-N 2 1 274.361 -0.524 20 0 CBADMP [NH3+][C@@H]1CC[N@H+](C[C@@H](O)COCc2ccco2)C[C@H]1O ZINC001246018057 825623013 /nfs/dbraw/zinc/62/30/13/825623013.db2.gz CDGUCBBAIXNPHT-RAIGVLPGSA-N 2 1 270.329 -0.449 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccco2)C[C@H]1O ZINC001246018057 825623018 /nfs/dbraw/zinc/62/30/18/825623018.db2.gz CDGUCBBAIXNPHT-RAIGVLPGSA-N 2 1 270.329 -0.449 20 0 CBADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC001246021608 825623627 /nfs/dbraw/zinc/62/36/27/825623627.db2.gz ODDNPPDPZAMAHY-UONOGXRCSA-N 2 1 271.405 -0.117 20 0 CBADMP [NH3+]C[C@]1(O)CCCC[N@@H+](CC2(O)CC[NH2+]CC2)C1 ZINC001246024793 825623794 /nfs/dbraw/zinc/62/37/94/825623794.db2.gz RDOCTYLZBNSQBE-CYBMUJFWSA-N 3 1 257.378 -0.723 20 0 CBADMP CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246023158 825624355 /nfs/dbraw/zinc/62/43/55/825624355.db2.gz OQEDGBVJTHEFIU-SMDDNHRTSA-N 2 1 288.388 -0.135 20 0 CBADMP CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246023158 825624361 /nfs/dbraw/zinc/62/43/61/825624361.db2.gz OQEDGBVJTHEFIU-SMDDNHRTSA-N 2 1 288.388 -0.135 20 0 CBADMP CC(C)(C)OC(=O)[C@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021327 825624416 /nfs/dbraw/zinc/62/44/16/825624416.db2.gz GDPIBVYXTGBHKT-RWMBFGLXSA-N 2 1 299.415 -0.285 20 0 CBADMP CCOC[C@H](O)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246026844 825625940 /nfs/dbraw/zinc/62/59/40/825625940.db2.gz VFFVTNQAEVPKGV-AGIUHOORSA-N 2 1 257.378 -0.590 20 0 CBADMP CCOC[C@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246026844 825625942 /nfs/dbraw/zinc/62/59/42/825625942.db2.gz VFFVTNQAEVPKGV-AGIUHOORSA-N 2 1 257.378 -0.590 20 0 CBADMP CCOC[C@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246026844 825625947 /nfs/dbraw/zinc/62/59/47/825625947.db2.gz VFFVTNQAEVPKGV-AGIUHOORSA-N 2 1 257.378 -0.590 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246025204 825626161 /nfs/dbraw/zinc/62/61/61/825626161.db2.gz GORLHAZNUPQKSD-TZMCWYRMSA-N 3 1 270.421 -0.627 20 0 CBADMP [NH3+]C[C@@]1(O)CCCC[N@H+](C[C@]2(O)CCC[NH2+]C2)C1 ZINC001246025093 825626386 /nfs/dbraw/zinc/62/63/86/825626386.db2.gz SGFPXCOFHJAHON-STQMWFEESA-N 3 1 257.378 -0.723 20 0 CBADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](C[C@]2(O)CCC[NH2+]C2)C1 ZINC001246025093 825626393 /nfs/dbraw/zinc/62/63/93/825626393.db2.gz SGFPXCOFHJAHON-STQMWFEESA-N 3 1 257.378 -0.723 20 0 CBADMP CC(C)OC[C@@H](O)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246027932 825626739 /nfs/dbraw/zinc/62/67/39/825626739.db2.gz YXQPSVPBMUQPTM-STQMWFEESA-N 2 1 260.378 -0.052 20 0 CBADMP CCCCOC[C@H](O)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246028967 825627350 /nfs/dbraw/zinc/62/73/50/825627350.db2.gz ODNITVOEQIBJFG-KGLIPLIRSA-N 2 1 271.405 -0.199 20 0 CBADMP CC(C)OC[C@H](O)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246031965 825627403 /nfs/dbraw/zinc/62/74/03/825627403.db2.gz XCOGYOYUGWCQLS-CHWSQXEVSA-N 2 1 257.378 -0.590 20 0 CBADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246032079 825628146 /nfs/dbraw/zinc/62/81/46/825628146.db2.gz JAGXBSJJFLEVTD-KGLIPLIRSA-N 3 1 285.432 -0.087 20 0 CBADMP C(CC[NH+]1CCNCC1)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246090389 825634713 /nfs/dbraw/zinc/63/47/13/825634713.db2.gz WZQZNJAEUSNUKU-AWEZNQCLSA-N 3 1 281.448 -0.645 20 0 CBADMP C[C@H]1CC[C@H]([NH2+]CC2(C(N)=O)CCOCC2)C[NH2+]1 ZINC001246097623 825636512 /nfs/dbraw/zinc/63/65/12/825636512.db2.gz ZIWYHOVEXZNULF-QWRGUYRKSA-N 2 1 255.362 -0.001 20 0 CBADMP C[C@@H]1C[C@H](NCc2cc(=O)n3c(n2)C[NH2+]CCC3)CC[NH2+]1 ZINC001246130920 825638739 /nfs/dbraw/zinc/63/87/39/825638739.db2.gz IAIRCTFZAITTNC-VXGBXAGGSA-N 2 1 291.399 -0.033 20 0 CBADMP O=c1cc(CN[C@H]2CCC[NH2+]C2)nc2n1CCC[NH2+]C2 ZINC001246132600 825639504 /nfs/dbraw/zinc/63/95/04/825639504.db2.gz MDXKRJIHPATDFD-NSHDSACASA-N 2 1 277.372 -0.422 20 0 CBADMP C([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246141139 825639856 /nfs/dbraw/zinc/63/98/56/825639856.db2.gz COHMVANPWXOSMU-MCIONIFRSA-N 3 1 269.389 -0.277 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2C)CN1 ZINC001246166376 825644302 /nfs/dbraw/zinc/64/43/02/825644302.db2.gz QQRSXJRKSNNIGB-MNOVXSKESA-N 2 1 252.318 -0.315 20 0 CBADMP COC(=O)[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(C)C ZINC001246178823 825645617 /nfs/dbraw/zinc/64/56/17/825645617.db2.gz OMDKMDMDEJJEMM-QWRGUYRKSA-N 2 1 255.362 -0.132 20 0 CBADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246201394 825649419 /nfs/dbraw/zinc/64/94/19/825649419.db2.gz PFWVOVMJAJAZPQ-UPJWGTAASA-N 3 1 296.415 -0.789 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CC[C@@H]2F)CN1 ZINC001246220439 825653369 /nfs/dbraw/zinc/65/33/69/825653369.db2.gz GDQWECRTWUOVKF-RCWTZXSCSA-N 2 1 259.325 -0.573 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@H]2F)CN1 ZINC001246220431 825653568 /nfs/dbraw/zinc/65/35/68/825653568.db2.gz GDQWECRTWUOVKF-MMWGEVLESA-N 2 1 259.325 -0.573 20 0 CBADMP [NH3+][C@H]1CCc2nn([C@H]3CC[NH2+]C4(CNC4)C3)cc2C1 ZINC001246241211 825655494 /nfs/dbraw/zinc/65/54/94/825655494.db2.gz YHVTZPWOSJSZGU-RYUDHWBXSA-N 2 1 261.373 -0.034 20 0 CBADMP C[C@@H]1C[C@@H](NCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246291969 825660040 /nfs/dbraw/zinc/66/00/40/825660040.db2.gz WKJQIQROZCIFTG-KGLIPLIRSA-N 2 1 289.420 -0.275 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC[NH2+]1 ZINC001246353149 825668225 /nfs/dbraw/zinc/66/82/25/825668225.db2.gz UQYLVZUCCCJBEN-UWVGGRQHSA-N 3 1 260.342 -0.735 20 0 CBADMP COC(=O)N1CCC([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246306051 825662953 /nfs/dbraw/zinc/66/29/53/825662953.db2.gz KHPQGQXUKXRSMX-MWLCHTKSSA-N 2 1 257.334 -0.613 20 0 CBADMP COCC[NH+]1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246358837 825668847 /nfs/dbraw/zinc/66/88/47/825668847.db2.gz JLIFINZDAVWDQT-CQSZACIVSA-N 3 1 282.432 -0.219 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC2(C)C)CN1 ZINC001246373961 825669975 /nfs/dbraw/zinc/66/99/75/825669975.db2.gz SIGJALADLLMLQW-VWYCJHECSA-N 2 1 255.362 -0.132 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@H+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC001246543927 825682312 /nfs/dbraw/zinc/68/23/12/825682312.db2.gz OWVAPSXARPMYQZ-WDEREUQCSA-N 2 1 262.375 -0.651 20 0 CBADMP CC(C)C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)C(=O)NCC(N)=O ZINC001246448879 825673508 /nfs/dbraw/zinc/67/35/08/825673508.db2.gz LOBANVNHKLETOC-WOPDTQHZSA-N 2 1 284.404 -0.267 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](n2c(C[NH3+])nc3cnccc32)C[NH2+]1 ZINC001246446167 825674267 /nfs/dbraw/zinc/67/42/67/825674267.db2.gz KNLSXXWEAKGJCT-BDAKNGLRSA-N 2 1 275.312 -0.034 20 0 CBADMP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1CCN(C2COC2)CC1 ZINC001246470832 825676477 /nfs/dbraw/zinc/67/64/77/825676477.db2.gz RRPRDNCIVATVKA-AWEZNQCLSA-N 2 1 294.443 -0.219 20 0 CBADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCN2)CCN1 ZINC001246493697 825676968 /nfs/dbraw/zinc/67/69/68/825676968.db2.gz ZGAFTHRCQKWFJM-BBBLOLIVSA-N 2 1 266.311 -0.180 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)CCO)CN1 ZINC001246488796 825677336 /nfs/dbraw/zinc/67/73/36/825677336.db2.gz JKLYMKJBPSSSQY-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]3C[NH2+][C@H]2C3)CN1 ZINC001246495266 825677808 /nfs/dbraw/zinc/67/78/08/825677808.db2.gz NPWQTZJGIMNTQP-GCHJQGSQSA-N 2 1 253.346 -0.380 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246514095 825678857 /nfs/dbraw/zinc/67/88/57/825678857.db2.gz YZVMDALLBWVSHD-SRVKXCTJSA-N 3 1 256.394 -0.040 20 0 CBADMP CC(=O)N1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246521935 825680070 /nfs/dbraw/zinc/68/00/70/825680070.db2.gz CODMEFHHTBOSFU-CYBMUJFWSA-N 2 1 266.389 -0.365 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N2CCC[NH2+]CC2)C[NH2+]1 ZINC001246522183 825680277 /nfs/dbraw/zinc/68/02/77/825680277.db2.gz AIZDYVNRUZVLFH-DGCLKSJQSA-N 2 1 255.362 -0.035 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@H+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001246543921 825682335 /nfs/dbraw/zinc/68/23/35/825682335.db2.gz OWVAPSXARPMYQZ-GHMZBOCLSA-N 2 1 262.375 -0.651 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)CCN1 ZINC001246541929 825682422 /nfs/dbraw/zinc/68/24/22/825682422.db2.gz HTDUVPMAFHLNBV-VNHYZAJKSA-N 2 1 299.415 -0.154 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246545436 825683295 /nfs/dbraw/zinc/68/32/95/825683295.db2.gz VZFBXJIEOSGEKQ-HIFRSBDPSA-N 2 1 299.415 -0.201 20 0 CBADMP CN(C[C@H]1C[NH2+]CCO1)[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246547448 825683332 /nfs/dbraw/zinc/68/33/32/825683332.db2.gz IGKPQQBWEFBDRL-XQQFMLRXSA-N 2 1 299.415 -0.021 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)CN1 ZINC001246556238 825684206 /nfs/dbraw/zinc/68/42/06/825684206.db2.gz FASVCIKBCSFUAO-IPYPFGDCSA-N 2 1 299.415 -0.154 20 0 CBADMP OC[C@@H]1C[C@@H](F)C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246553473 825684218 /nfs/dbraw/zinc/68/42/18/825684218.db2.gz YFTYRRPJQOGTNS-IJLUTSLNSA-N 2 1 257.353 -0.267 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246555065 825684362 /nfs/dbraw/zinc/68/43/62/825684362.db2.gz BFNUUDNBWRXZRN-WDEREUQCSA-N 3 1 274.359 -0.004 20 0 CBADMP [NH3+]C[C@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246555065 825684364 /nfs/dbraw/zinc/68/43/64/825684364.db2.gz BFNUUDNBWRXZRN-WDEREUQCSA-N 2 1 274.359 -0.004 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CN1 ZINC001246556240 825684849 /nfs/dbraw/zinc/68/48/49/825684849.db2.gz FASVCIKBCSFUAO-KCQAQPDRSA-N 2 1 299.415 -0.154 20 0 CBADMP COC(=O)[C@H]1CCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246554419 825685118 /nfs/dbraw/zinc/68/51/18/825685118.db2.gz WOYZUGRNFMNWDO-GHMZBOCLSA-N 2 1 253.346 -0.282 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N2CCCC[C@](O)(C[NH3+])C2)C[NH2+]1 ZINC001246565145 825685722 /nfs/dbraw/zinc/68/57/22/825685722.db2.gz YGXNTPFINDPDGV-VHDGCEQUSA-N 2 1 299.415 -0.154 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2CCCC[C@](O)(C[NH3+])C2)C[NH2+]1 ZINC001246565136 825686082 /nfs/dbraw/zinc/68/60/82/825686082.db2.gz YGXNTPFINDPDGV-AEGPPILISA-N 2 1 299.415 -0.154 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCCC[C@@](O)(C[NH3+])C2)C[NH2+]1 ZINC001246559893 825686373 /nfs/dbraw/zinc/68/63/73/825686373.db2.gz OGDZHNIUQTUHIW-NTZNESFSSA-N 2 1 271.361 -0.934 20 0 CBADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2C[C@@H]([NH3+])[C@H](O)C2)C[NH2+]1 ZINC001246561010 825686434 /nfs/dbraw/zinc/68/64/34/825686434.db2.gz WZPCHOCXZGIOGZ-ZRUFSTJUSA-N 2 1 271.361 -0.938 20 0 CBADMP N[C@@H]1C[N@@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1O ZINC001246562017 825686588 /nfs/dbraw/zinc/68/65/88/825686588.db2.gz XYXXJNULAXVKMR-QZQSVVMZSA-N 2 1 255.362 -0.709 20 0 CBADMP N[C@@H]1C[N@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1O ZINC001246562017 825686594 /nfs/dbraw/zinc/68/65/94/825686594.db2.gz XYXXJNULAXVKMR-QZQSVVMZSA-N 2 1 255.362 -0.709 20 0 CBADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCC[C@H](n3ncnn3)C2)C[C@H]1O ZINC001246567485 825688188 /nfs/dbraw/zinc/68/81/88/825688188.db2.gz KXRFCOWPLZFHHE-WRWGMCAJSA-N 2 1 266.349 -0.449 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@H](F)[C@@H]([NH3+])CC2)C[NH2+]1 ZINC001246568591 825688241 /nfs/dbraw/zinc/68/82/41/825688241.db2.gz AHRKEUQNISUQHZ-VLEAKVRGSA-N 2 1 259.325 -0.349 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CN1 ZINC001246592568 825692200 /nfs/dbraw/zinc/69/22/00/825692200.db2.gz KJTGGPJBLMIHSQ-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CN1 ZINC001246592568 825692203 /nfs/dbraw/zinc/69/22/03/825692203.db2.gz KJTGGPJBLMIHSQ-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCCC[C@H](C[NH3+])C2)C[NH2+]1 ZINC001246592568 825692211 /nfs/dbraw/zinc/69/22/11/825692211.db2.gz KJTGGPJBLMIHSQ-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@]1(CO)CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1O ZINC001246589376 825692336 /nfs/dbraw/zinc/69/23/36/825692336.db2.gz CSSVMCZBHLVMLW-FRRDWIJNSA-N 2 1 269.389 -0.854 20 0 CBADMP CC(C)(C)[N@@H+](C[C@@H](O)CO)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246605975 825694226 /nfs/dbraw/zinc/69/42/26/825694226.db2.gz SKBYKXNSECBWEE-NWDGAFQWSA-N 2 1 271.405 -0.466 20 0 CBADMP O=S1(=O)CCC([N@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246599868 825694264 /nfs/dbraw/zinc/69/42/64/825694264.db2.gz FDXWEAROEMTHDZ-UHFFFAOYSA-N 2 1 287.429 -0.409 20 0 CBADMP C1C[C@]2(CCC[NH2+]C2)[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599426 825694447 /nfs/dbraw/zinc/69/44/47/825694447.db2.gz CQPJYYDACLGGIC-JSGCOSHPSA-N 3 1 250.390 -0.092 20 0 CBADMP C1C[C@]2(CCC[NH2+]C2)[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599426 825694449 /nfs/dbraw/zinc/69/44/49/825694449.db2.gz CQPJYYDACLGGIC-JSGCOSHPSA-N 3 1 250.390 -0.092 20 0 CBADMP O=S1(=O)CC[C@@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246600089 825694471 /nfs/dbraw/zinc/69/44/71/825694471.db2.gz FLXTWOUAFRRNPI-LLVKDONJSA-N 2 1 273.402 -0.799 20 0 CBADMP O=S1(=O)CC[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246600089 825694474 /nfs/dbraw/zinc/69/44/74/825694474.db2.gz FLXTWOUAFRRNPI-LLVKDONJSA-N 2 1 273.402 -0.799 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCNC3(CC[NH2+]CC3)C1)CCN2 ZINC001246599841 825694549 /nfs/dbraw/zinc/69/45/49/825694549.db2.gz DYYDASWGXPBRKP-CYBMUJFWSA-N 3 1 279.432 -0.892 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1CC[NH2+]C[C@@]13CC[NH2+]C3)CS2 ZINC001246620883 825696415 /nfs/dbraw/zinc/69/64/15/825696415.db2.gz BOPOXJHNMJUUAG-NEPJUHHUSA-N 3 1 268.430 -0.529 20 0 CBADMP C1[NH2+]CC12C[C@H](N1CC[NH2+]C[C@]13CC[NH2+]C3)CCO2 ZINC001246623717 825696663 /nfs/dbraw/zinc/69/66/63/825696663.db2.gz KJBOSDFTVRUDSV-CHWSQXEVSA-N 3 1 266.389 -0.855 20 0 CBADMP C1[NH2+]CC12C[C@H](N1CC[NH2+]C[C@]13CC[NH2+]C3)CS2 ZINC001246620898 825696767 /nfs/dbraw/zinc/69/67/67/825696767.db2.gz BOPOXJHNMJUUAG-NWDGAFQWSA-N 3 1 268.430 -0.529 20 0 CBADMP C1C[C@]2(C[NH2+]1)C[NH2+]CCN2C1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246624395 825696975 /nfs/dbraw/zinc/69/69/75/825696975.db2.gz MZFHZKMQFZJRHK-PIGZVRMJSA-N 3 1 266.389 -0.857 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCO[C@]3(CCC[NH2+]C3)C2)C[NH2+]1 ZINC001246625448 825697218 /nfs/dbraw/zinc/69/72/18/825697218.db2.gz VTQHLPNVZVOUNY-OBJOEFQTSA-N 2 1 283.372 -0.656 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CN1 ZINC001246620972 825697331 /nfs/dbraw/zinc/69/73/31/825697331.db2.gz CBEDXYFUJIYDOC-KXNHARMFSA-N 2 1 253.346 -0.569 20 0 CBADMP CCOC(=O)N1CC[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001246621276 825697344 /nfs/dbraw/zinc/69/73/44/825697344.db2.gz CCIQQNYPDZMRIE-TZMCWYRMSA-N 2 1 282.388 -0.146 20 0 CBADMP O=C1NCC[C@]12C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC21C[NH2+]C1 ZINC001246630660 825697689 /nfs/dbraw/zinc/69/76/89/825697689.db2.gz ULYPKQPLAXNXCE-GYVWXKFASA-N 3 1 290.411 -0.319 20 0 CBADMP O=C1NCC[C@]12C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC21C[NH2+]C1 ZINC001246630660 825697691 /nfs/dbraw/zinc/69/76/91/825697691.db2.gz ULYPKQPLAXNXCE-GYVWXKFASA-N 3 1 290.411 -0.319 20 0 CBADMP CCN1CC[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)CC1=O ZINC001246631029 825698031 /nfs/dbraw/zinc/69/80/31/825698031.db2.gz QWENBFUUHKSATH-GXTWGEPZSA-N 2 1 266.389 -0.365 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1CCNC[C@@]3(CCCC[NH2+]3)C1)CCN2 ZINC001246631886 825698271 /nfs/dbraw/zinc/69/82/71/825698271.db2.gz UTLVAMGJLMLGMB-GJZGRUSLSA-N 2 1 293.459 -0.502 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CN1 ZINC001246630338 825698372 /nfs/dbraw/zinc/69/83/72/825698372.db2.gz IZWSUPYHUJWNAT-MROQNXINSA-N 2 1 283.372 -0.800 20 0 CBADMP CC(=O)N1CCC[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001246630960 825698412 /nfs/dbraw/zinc/69/84/12/825698412.db2.gz QFLYMXVYRFRSHL-KBPBESRZSA-N 2 1 266.389 -0.365 20 0 CBADMP O=C1C[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)CCN1C1CC1 ZINC001246627280 825698463 /nfs/dbraw/zinc/69/84/63/825698463.db2.gz IVWCWHNXHZGNSR-UKRRQHHQSA-N 2 1 278.400 -0.223 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246631522 825698642 /nfs/dbraw/zinc/69/86/42/825698642.db2.gz QDGQMRXVGMGWFH-GVXVVHGQSA-N 2 1 253.346 -0.425 20 0 CBADMP c1nnn([C@@H]2CCC[C@@H]([N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)C2)n1 ZINC001246633337 825699723 /nfs/dbraw/zinc/69/97/23/825699723.db2.gz CIHLDIPHMMBSLS-MCIONIFRSA-N 2 1 291.403 -0.206 20 0 CBADMP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CCN1 ZINC001246641897 825700537 /nfs/dbraw/zinc/70/05/37/825700537.db2.gz JRMSGKOHBACCSW-YDHLFZDLSA-N 2 1 296.415 -0.693 20 0 CBADMP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CCN1 ZINC001246641897 825700543 /nfs/dbraw/zinc/70/05/43/825700543.db2.gz JRMSGKOHBACCSW-YDHLFZDLSA-N 2 1 296.415 -0.693 20 0 CBADMP COC(=O)[C@@]12COC[C@@H]1C[N@H+](C1CC[NH2+]CC1)C2 ZINC001246640582 825700854 /nfs/dbraw/zinc/70/08/54/825700854.db2.gz GKONOUBSXYVAKB-GWCFXTLKSA-N 2 1 254.330 -0.140 20 0 CBADMP O=C1C[C@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC001246643740 825701093 /nfs/dbraw/zinc/70/10/93/825701093.db2.gz PWZUYFDHHJSMMB-HIFRSBDPSA-N 2 1 278.400 -0.223 20 0 CBADMP C1C[C@]2(C[NH2+]1)C[N@H+](C1CCC3(CC1)C[NH2+]CCO3)CCN2 ZINC001246645019 825701286 /nfs/dbraw/zinc/70/12/86/825701286.db2.gz SMTFEISSZFYZLI-PCKAHOCUSA-N 3 1 294.443 -0.075 20 0 CBADMP C1C[C@]2(C[NH2+]1)CN(C1CCC3(CC1)C[NH2+]CCO3)CCN2 ZINC001246645019 825701288 /nfs/dbraw/zinc/70/12/88/825701288.db2.gz SMTFEISSZFYZLI-PCKAHOCUSA-N 2 1 294.443 -0.075 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCCCC23C[NH2+]C3)C[NH2+]1 ZINC001246640560 825701346 /nfs/dbraw/zinc/70/13/46/825701346.db2.gz DYDRPJGRCSMPSO-MNOVXSKESA-N 2 1 253.346 -0.282 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CS2 ZINC001246646096 825702080 /nfs/dbraw/zinc/70/20/80/825702080.db2.gz WKGWNFWTVMLSBR-NWDGAFQWSA-N 3 1 268.430 -0.529 20 0 CBADMP C1[NH2+]CC12C[C@H](N1CCN[C@@]3(CC[NH2+]C3)C1)CS2 ZINC001246646096 825702082 /nfs/dbraw/zinc/70/20/82/825702082.db2.gz WKGWNFWTVMLSBR-NWDGAFQWSA-N 2 1 268.430 -0.529 20 0 CBADMP COC(=O)[C@@H]1C[C@H](n2c(C)nc3c2CC[NH2+]CC3)C[NH2+]1 ZINC001246660608 825703483 /nfs/dbraw/zinc/70/34/83/825703483.db2.gz DSICYUKFRRVYKY-JQWIXIFHSA-N 2 1 278.356 -0.044 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3[NH2+]CC[C@H]3C2)C[NH2+]1 ZINC001246660842 825703870 /nfs/dbraw/zinc/70/38/70/825703870.db2.gz PHHNUQBLIDNCNR-BJDJZHNGSA-N 2 1 253.346 -0.426 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@@H](N2CC[NH2+]C[C@@H]2C)C[NH2+]1 ZINC001246671010 825704730 /nfs/dbraw/zinc/70/47/30/825704730.db2.gz FISSJFYADDDUMR-LOWVWBTDSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[NH2+]1 ZINC001246670124 825705246 /nfs/dbraw/zinc/70/52/46/825705246.db2.gz WMRKCEGXZVQYFK-KKOKHZNYSA-N 2 1 253.346 -0.569 20 0 CBADMP CCOC(=O)[C@H]1C[C@@H]2CN([C@@H]3CCC[NH2+]C3)C[C@@H]2[NH2+]1 ZINC001246672648 825705274 /nfs/dbraw/zinc/70/52/74/825705274.db2.gz VMPZREPIFGLBLJ-LPWJVIDDSA-N 2 1 267.373 -0.036 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C1)O4)CCN2 ZINC001246685576 825705935 /nfs/dbraw/zinc/70/59/35/825705935.db2.gz PLPOIWLALLXOEJ-TTZDDIAXSA-N 3 1 292.427 -0.467 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C3C[NH2+]C3)C2)CN1 ZINC001246681005 825706333 /nfs/dbraw/zinc/70/63/33/825706333.db2.gz ZABFCWGYAYHADQ-WXHSDQCUSA-N 2 1 267.373 -0.179 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C1)O4)CCN2 ZINC001246685563 825706357 /nfs/dbraw/zinc/70/63/57/825706357.db2.gz PLPOIWLALLXOEJ-HLPPOEQASA-N 3 1 292.427 -0.467 20 0 CBADMP CN(C)C(=O)CO[C@@H]1C[N@H+](C2CC[NH2+]CC2)[C@@H]2COC[C@H]12 ZINC001246692646 825706582 /nfs/dbraw/zinc/70/65/82/825706582.db2.gz HGERLTMQAKBKAL-BFHYXJOUSA-N 2 1 297.399 -0.458 20 0 CBADMP CN1CCO[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246703965 825707352 /nfs/dbraw/zinc/70/73/52/825707352.db2.gz ULAXBACEUBWCJP-XQQFMLRXSA-N 2 1 266.389 -0.905 20 0 CBADMP OCc1ncn2c1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246715257 825707655 /nfs/dbraw/zinc/70/76/55/825707655.db2.gz OXSDFIKDASFRIW-LLVKDONJSA-N 2 1 277.372 -0.715 20 0 CBADMP OCc1ncn2c1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246715257 825707656 /nfs/dbraw/zinc/70/76/56/825707656.db2.gz OXSDFIKDASFRIW-LLVKDONJSA-N 2 1 277.372 -0.715 20 0 CBADMP COC[C@]12COC[C@H]1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246744985 825709127 /nfs/dbraw/zinc/70/91/27/825709127.db2.gz DXLQDMUNYHKISO-MGPQQGTHSA-N 2 1 281.400 -0.325 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC[C@H]([NH+](C)C)C2)C[NH2+]1 ZINC001246776433 825711038 /nfs/dbraw/zinc/71/10/38/825711038.db2.gz NGEVKRNGTFIZBA-SRVKXCTJSA-N 2 1 255.362 -0.084 20 0 CBADMP c1ncc2c(n1)CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246797269 825711536 /nfs/dbraw/zinc/71/15/36/825711536.db2.gz NQGAGHDKDBNDHG-GFCCVEGCSA-N 2 1 259.357 -0.071 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246792594 825711894 /nfs/dbraw/zinc/71/18/94/825711894.db2.gz AIQXESOVBLILTE-CHWSQXEVSA-N 2 1 280.416 -0.119 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246792597 825712239 /nfs/dbraw/zinc/71/22/39/825712239.db2.gz AIQXESOVBLILTE-STQMWFEESA-N 2 1 280.416 -0.119 20 0 CBADMP CC[NH2+]C1CCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246799694 825712932 /nfs/dbraw/zinc/71/29/32/825712932.db2.gz AJRMVQIHKUGPDF-NEPJUHHUSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CN1 ZINC001246807304 825713198 /nfs/dbraw/zinc/71/31/98/825713198.db2.gz JFMVLJAXZGELKT-OSUNSFLBSA-N 2 1 253.346 -0.156 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+](C)C[C@@H]2CC[NH2+]C2)CN1 ZINC001246815301 825714243 /nfs/dbraw/zinc/71/42/43/825714243.db2.gz XSSXXVUCSOTQLJ-UTUOFQBUSA-N 2 1 255.362 -0.179 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H]2CC[NH2+]C2)CN1 ZINC001246815301 825714246 /nfs/dbraw/zinc/71/42/46/825714246.db2.gz XSSXXVUCSOTQLJ-UTUOFQBUSA-N 2 1 255.362 -0.179 20 0 CBADMP O=C1C[C@@H]2CC([NH+]3CCNCC[NH2+]CCNCC3)C[C@H]2C1 ZINC001246818046 825714758 /nfs/dbraw/zinc/71/47/58/825714758.db2.gz CITYEOUJZLIVTN-KBPBESRZSA-N 2 1 294.443 -0.172 20 0 CBADMP COC(=O)C[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246817444 825714904 /nfs/dbraw/zinc/71/49/04/825714904.db2.gz KVENWNAOMKHGHD-NEPJUHHUSA-N 2 1 283.372 -0.656 20 0 CBADMP CN1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246813878 825715127 /nfs/dbraw/zinc/71/51/27/825715127.db2.gz RFKWQFJQZBWJLJ-UPJWGTAASA-N 2 1 250.390 -0.141 20 0 CBADMP O=C1C[C@H]2C[C@H]([NH+]3CCNCC[NH2+]CCNCC3)C[C@H]2C1 ZINC001246818044 825715343 /nfs/dbraw/zinc/71/53/43/825715343.db2.gz CITYEOUJZLIVTN-FICVDOATSA-N 2 1 294.443 -0.172 20 0 CBADMP C1CC(N2CC[NH2+]CCNCC[NH2+]CC2)CCS1 ZINC001246819785 825716726 /nfs/dbraw/zinc/71/67/26/825716726.db2.gz IXSOTJXIJNCOSS-UHFFFAOYSA-N 2 1 272.462 -0.034 20 0 CBADMP O=C1CC[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246827865 825717065 /nfs/dbraw/zinc/71/70/65/825717065.db2.gz SWJHWYHVMYTXFY-VXGBXAGGSA-N 2 1 264.373 -0.613 20 0 CBADMP C[C@H]1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CCO1 ZINC001246822893 825717949 /nfs/dbraw/zinc/71/79/49/825717949.db2.gz TVUJURUXNQIBNU-UONOGXRCSA-N 2 1 270.421 -0.362 20 0 CBADMP O=C1NC[C@@H]2CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]12 ZINC001246847807 825720355 /nfs/dbraw/zinc/72/03/55/825720355.db2.gz SPYXDHKXLWXUJY-TUAOUCFPSA-N 2 1 264.373 -0.852 20 0 CBADMP CCN1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246849421 825720548 /nfs/dbraw/zinc/72/05/48/825720548.db2.gz QWFWHYNPLVAFTE-LLVKDONJSA-N 2 1 252.362 -0.756 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1C[C@H]3CC[NH2+]C[C@H]3C1)CCN2 ZINC001246842148 825720630 /nfs/dbraw/zinc/72/06/30/825720630.db2.gz BIMBHONEKXFSSB-AGIUHOORSA-N 3 1 250.390 -0.378 20 0 CBADMP CS(=O)(=O)[C@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246855994 825722095 /nfs/dbraw/zinc/72/20/95/825722095.db2.gz RNZNLFOAHARFPA-NEPJUHHUSA-N 2 1 287.429 -0.411 20 0 CBADMP CCN([C@@H]1C[NH2+][C@H](C(=O)OC)C1)[C@@H]1CCC[NH2+]C1 ZINC001246854621 825723023 /nfs/dbraw/zinc/72/30/23/825723023.db2.gz POKPIDOLNUVYBX-WOPDTQHZSA-N 2 1 255.362 -0.036 20 0 CBADMP c1cn2c(n1)CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246863322 825723801 /nfs/dbraw/zinc/72/38/01/825723801.db2.gz WOEYUCIGGLLBBI-GFCCVEGCSA-N 2 1 261.373 -0.165 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CCN1 ZINC001246862238 825723826 /nfs/dbraw/zinc/72/38/26/825723826.db2.gz QNFPYPGIGSAWGL-DCQANWLSSA-N 2 1 253.346 -0.297 20 0 CBADMP COC[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246863111 825723889 /nfs/dbraw/zinc/72/38/89/825723889.db2.gz JHFSLELWAFLOGM-RYUDHWBXSA-N 2 1 255.362 -0.572 20 0 CBADMP COC[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246863108 825724073 /nfs/dbraw/zinc/72/40/73/825724073.db2.gz JHFSLELWAFLOGM-NEPJUHHUSA-N 2 1 255.362 -0.572 20 0 CBADMP CS(=O)(=O)N1CCC([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246862790 825724473 /nfs/dbraw/zinc/72/44/73/825724473.db2.gz RLWQMTDCTVJITO-ZYHUDNBSSA-N 2 1 273.402 -0.167 20 0 CBADMP CS(=O)(=O)N1CCC([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246862790 825724477 /nfs/dbraw/zinc/72/44/77/825724477.db2.gz RLWQMTDCTVJITO-ZYHUDNBSSA-N 2 1 273.402 -0.167 20 0 CBADMP [NH3+]CC1CN([C@H]2CCC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246868263 825725506 /nfs/dbraw/zinc/72/55/06/825725506.db2.gz BAEQGKJGARHHKZ-CABCVRRESA-N 3 1 293.459 -0.565 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C(=O)OC)NC2)C1 ZINC001246865998 825726074 /nfs/dbraw/zinc/72/60/74/825726074.db2.gz XSMXZJLKWWYYED-TUAOUCFPSA-N 2 1 255.362 -0.179 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C(=O)OC)NC2)C1 ZINC001246865998 825726077 /nfs/dbraw/zinc/72/60/77/825726077.db2.gz XSMXZJLKWWYYED-TUAOUCFPSA-N 2 1 255.362 -0.179 20 0 CBADMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CC[C@@H](C(=O)OC)NC2)C1 ZINC001246866000 825726242 /nfs/dbraw/zinc/72/62/42/825726242.db2.gz XSMXZJLKWWYYED-UTUOFQBUSA-N 2 1 255.362 -0.179 20 0 CBADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CC[C@@H](C(=O)OC)NC2)C1 ZINC001246866000 825726245 /nfs/dbraw/zinc/72/62/45/825726245.db2.gz XSMXZJLKWWYYED-UTUOFQBUSA-N 2 1 255.362 -0.179 20 0 CBADMP CCOC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246874938 825727044 /nfs/dbraw/zinc/72/70/44/825727044.db2.gz UZUDDKZPUYTOCW-NDBYEHHHSA-N 2 1 279.384 -0.179 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)CN1 ZINC001246872260 825727703 /nfs/dbraw/zinc/72/77/03/825727703.db2.gz QDCLCHJCQXVXAY-MCIONIFRSA-N 2 1 296.415 -0.613 20 0 CBADMP CCC[C@H]1CN([C@H]2C[NH2+][C@@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246903347 825729200 /nfs/dbraw/zinc/72/92/00/825729200.db2.gz PMHZZMZIXOVCSM-QJPTWQEYSA-N 2 1 255.362 -0.036 20 0 CBADMP COCCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)[C@@H]1CCC[NH2+]C1 ZINC001246929042 825732527 /nfs/dbraw/zinc/73/25/27/825732527.db2.gz NNAYRRVVUAXQFQ-UPJWGTAASA-N 2 1 285.388 -0.410 20 0 CBADMP CCC[C@@H]1C[NH2+]CCN1[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC001246928932 825732660 /nfs/dbraw/zinc/73/26/60/825732660.db2.gz PIERTURUUNVPBM-GRYCIOLGSA-N 2 1 255.362 -0.036 20 0 CBADMP CCC[C@@H]1C[NH2+]CCN1[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246928934 825732942 /nfs/dbraw/zinc/73/29/42/825732942.db2.gz PIERTURUUNVPBM-UTUOFQBUSA-N 2 1 255.362 -0.036 20 0 CBADMP COCCN([C@@H]1C[NH2+][C@H](C(=O)OC)C1)[C@H]1CCC[NH2+]C1 ZINC001246929041 825733144 /nfs/dbraw/zinc/73/31/44/825733144.db2.gz NNAYRRVVUAXQFQ-AVGNSLFASA-N 2 1 285.388 -0.410 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@@H]1N ZINC001246928758 825733336 /nfs/dbraw/zinc/73/33/36/825733336.db2.gz AIPBSEYLZTYGMA-FMPXUHTOSA-N 2 1 297.399 -0.280 20 0 CBADMP COC(=O)[C@H]1C[N@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@@H]1N ZINC001246928758 825733340 /nfs/dbraw/zinc/73/33/40/825733340.db2.gz AIPBSEYLZTYGMA-FMPXUHTOSA-N 2 1 297.399 -0.280 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N(C(C)C)[C@H]2CC[NH2+]C2)C[NH2+]1 ZINC001246957475 825735253 /nfs/dbraw/zinc/73/52/53/825735253.db2.gz ANTVVSZPFVWXJN-SRVKXCTJSA-N 2 1 255.362 -0.038 20 0 CBADMP CCOCCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246949812 825735292 /nfs/dbraw/zinc/73/52/92/825735292.db2.gz LUABWKOFWZSDPW-KGLIPLIRSA-N 2 1 299.415 -0.020 20 0 CBADMP OC[C@H]1CCn2nccc2C[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246939969 825735303 /nfs/dbraw/zinc/73/53/03/825735303.db2.gz HXLQUNQRDXKHMB-GXTWGEPZSA-N 2 1 291.399 -0.456 20 0 CBADMP OC[C@@H]1CCn2nccc2C[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246939984 825736129 /nfs/dbraw/zinc/73/61/29/825736129.db2.gz HXLQUNQRDXKHMB-JSGCOSHPSA-N 2 1 291.399 -0.456 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@](C)(C[NH3+])C2)CN1 ZINC001246967340 825737249 /nfs/dbraw/zinc/73/72/49/825737249.db2.gz NSXGLLAHICFOEJ-NTZNESFSSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@](C)(C[NH3+])C2)CN1 ZINC001246967340 825737245 /nfs/dbraw/zinc/73/72/45/825737245.db2.gz NSXGLLAHICFOEJ-NTZNESFSSA-N 2 1 255.362 -0.049 20 0 CBADMP CCN1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246985473 825738906 /nfs/dbraw/zinc/73/89/06/825738906.db2.gz CAFUMGVWTGWBDB-AGIUHOORSA-N 2 1 250.390 -0.141 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@H](N(C)[C@H]2C[NH2+]C[C@@H]2OC)C[NH2+]1 ZINC001246987401 825739931 /nfs/dbraw/zinc/73/99/31/825739931.db2.gz GSDKJWPMBOWCTM-MNXVOIDGSA-N 2 1 285.388 -0.411 20 0 CBADMP O=C1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]2CCCN12 ZINC001246993619 825740437 /nfs/dbraw/zinc/74/04/37/825740437.db2.gz OOPNJFIFTBQNLH-STQMWFEESA-N 2 1 278.400 -0.223 20 0 CBADMP COC(=O)[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12CC2 ZINC001246991866 825740789 /nfs/dbraw/zinc/74/07/89/825740789.db2.gz DAHIXLXDCGOTCD-RYUDHWBXSA-N 2 1 279.384 -0.035 20 0 CBADMP CC[N@@H+]([C@@H](C)C(=O)OC)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246990725 825741262 /nfs/dbraw/zinc/74/12/62/825741262.db2.gz XVOLNELKKFSQNO-WDEREUQCSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@H]3[NH2+]CCC[C@@H]3C2)C[NH2+]1 ZINC001247012207 825742231 /nfs/dbraw/zinc/74/22/31/825742231.db2.gz CVKSTOJWCTZVCG-XQHKEYJVSA-N 2 1 267.373 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@H]3[NH2+]CCC[C@H]3C2)C[NH2+]1 ZINC001247012204 825743100 /nfs/dbraw/zinc/74/31/00/825743100.db2.gz CVKSTOJWCTZVCG-RVMXOQNASA-N 2 1 267.373 -0.036 20 0 CBADMP CC(=O)[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001247002739 825743183 /nfs/dbraw/zinc/74/31/83/825743183.db2.gz LFFBJRGFBZUFMB-NEPJUHHUSA-N 2 1 253.346 -0.630 20 0 CBADMP CC(=O)[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001247002739 825743186 /nfs/dbraw/zinc/74/31/86/825743186.db2.gz LFFBJRGFBZUFMB-NEPJUHHUSA-N 2 1 253.346 -0.630 20 0 CBADMP C[NH+](C)CCNC(=S)NCC1([NH+]2CCCC2)COC1 ZINC001249845339 825749865 /nfs/dbraw/zinc/74/98/65/825749865.db2.gz DFTZUTXGUVKNNQ-UHFFFAOYSA-N 2 1 286.445 -0.123 20 0 CBADMP CCC[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251024305 825765842 /nfs/dbraw/zinc/76/58/42/825765842.db2.gz OMRHVZWZOGJZPI-XHSDSOJGSA-N 2 1 297.443 -0.047 20 0 CBADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251024305 825765844 /nfs/dbraw/zinc/76/58/44/825765844.db2.gz OMRHVZWZOGJZPI-XHSDSOJGSA-N 2 1 297.443 -0.047 20 0 CBADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251024305 825765848 /nfs/dbraw/zinc/76/58/48/825765848.db2.gz OMRHVZWZOGJZPI-XHSDSOJGSA-N 2 1 297.443 -0.047 20 0 CBADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251024305 825765851 /nfs/dbraw/zinc/76/58/51/825765851.db2.gz OMRHVZWZOGJZPI-XHSDSOJGSA-N 2 1 297.443 -0.047 20 0 CBADMP COC(=O)[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001252406136 825838332 /nfs/dbraw/zinc/83/83/32/825838332.db2.gz VNXGTGWYFFIVGO-GFCCVEGCSA-N 2 1 265.313 -0.263 20 0 CBADMP COC[C@@H](O)C[N@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001252816295 825889403 /nfs/dbraw/zinc/88/94/03/825889403.db2.gz BCEYVKPLTCQLLH-LBPRGKRZSA-N 2 1 276.377 -0.190 20 0 CBADMP COC[C@@H](O)C[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001252816295 825889407 /nfs/dbraw/zinc/88/94/07/825889407.db2.gz BCEYVKPLTCQLLH-LBPRGKRZSA-N 2 1 276.377 -0.190 20 0 CBADMP CC(CO)(CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252944082 825896822 /nfs/dbraw/zinc/89/68/22/825896822.db2.gz USWUFEBHDVTVJP-INIZCTEOSA-N 2 1 294.395 -0.044 20 0 CBADMP CC(CO)(CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252944082 825896829 /nfs/dbraw/zinc/89/68/29/825896829.db2.gz USWUFEBHDVTVJP-INIZCTEOSA-N 2 1 294.395 -0.044 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001253188196 825903095 /nfs/dbraw/zinc/90/30/95/825903095.db2.gz RYUVYOBJWLNXIK-RWMBFGLXSA-N 2 1 269.389 -0.243 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001253186221 825903211 /nfs/dbraw/zinc/90/32/11/825903211.db2.gz MPWPTIYHAJYKRK-AGIUHOORSA-N 2 1 269.389 -0.291 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001253182775 825903362 /nfs/dbraw/zinc/90/33/62/825903362.db2.gz TUZRQLSPHKXOCE-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+](CC)C[C@@H](O)CNCCN1CCC[N@@H+](C)CC1 ZINC001253207381 825905886 /nfs/dbraw/zinc/90/58/86/825905886.db2.gz GAKDUKJAUWGMLB-HNNXBMFYSA-N 2 1 286.464 -0.084 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC2(CC1)CNC(=O)CO2 ZINC001253394477 825912088 /nfs/dbraw/zinc/91/20/88/825912088.db2.gz MCCYZJUWERSHAO-GFCCVEGCSA-N 2 1 299.415 -0.284 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001253394952 825912320 /nfs/dbraw/zinc/91/23/20/825912320.db2.gz WHMJRDCEBVKZHN-TUAOUCFPSA-N 2 1 269.389 -0.197 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001253394952 825912322 /nfs/dbraw/zinc/91/23/22/825912322.db2.gz WHMJRDCEBVKZHN-TUAOUCFPSA-N 2 1 269.389 -0.197 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001253396000 825912756 /nfs/dbraw/zinc/91/27/56/825912756.db2.gz QNZUXEJJGFDJFY-LLVKDONJSA-N 2 1 284.404 -0.117 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001253390495 825912863 /nfs/dbraw/zinc/91/28/63/825912863.db2.gz VBBRTARZUHHZEK-RISCZKNCSA-N 2 1 269.389 -0.053 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCOCCOCCO ZINC001253404970 825914022 /nfs/dbraw/zinc/91/40/22/825914022.db2.gz LFFWWVJLTBXCKD-LBPRGKRZSA-N 2 1 278.393 -0.650 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@]1(C)CCC(=O)NC1=O ZINC001253407437 825914106 /nfs/dbraw/zinc/91/41/06/825914106.db2.gz LILNEXFCEJQZLR-NOZJJQNGSA-N 2 1 271.361 -0.480 20 0 CBADMP C[N@@H+](CCO)CCCNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253412665 825914700 /nfs/dbraw/zinc/91/47/00/825914700.db2.gz OHNILPWJJKUQJH-LBPRGKRZSA-N 2 1 261.410 -0.361 20 0 CBADMP CC(=O)N1CCC([NH2+]CCC[N@@H+](C)CCO)CC1 ZINC001254422846 825962931 /nfs/dbraw/zinc/96/29/31/825962931.db2.gz XCTVPNJPSLBZLK-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1)C(N)=O ZINC001254515514 825966448 /nfs/dbraw/zinc/96/64/48/825966448.db2.gz XGJCVTLFESAXIZ-DCAQKATOSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1)C(N)=O ZINC001254515514 825966455 /nfs/dbraw/zinc/96/64/55/825966455.db2.gz XGJCVTLFESAXIZ-DCAQKATOSA-N 2 1 270.377 -0.561 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C2CCOCC2)CC1 ZINC001255033669 825973622 /nfs/dbraw/zinc/97/36/22/825973622.db2.gz STRHWYJJLMRARF-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP CN1CC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001255418662 825981036 /nfs/dbraw/zinc/98/10/36/825981036.db2.gz WUDSQKAVCILCBV-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP COC(=O)[C@@H]([NH3+])Cc1cncn1[C@H]1CC[N@H+](C)C1 ZINC001255411037 825981049 /nfs/dbraw/zinc/98/10/49/825981049.db2.gz CAPQMIUAWZJJGW-ONGXEEELSA-N 2 1 252.318 -0.198 20 0 CBADMP COC(=O)[C@@H]([NH3+])Cc1cncn1[C@H]1CC[N@@H+](C)C1 ZINC001255411037 825981051 /nfs/dbraw/zinc/98/10/51/825981051.db2.gz CAPQMIUAWZJJGW-ONGXEEELSA-N 2 1 252.318 -0.198 20 0 CBADMP COC(=O)C1(N[C@@H]2CC[N@@H+](C)C2)CC[NH+](C)CC1 ZINC001255424207 825981311 /nfs/dbraw/zinc/98/13/11/825981311.db2.gz SGDQMTYAUMNAHO-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CC[C@@H](n2cncc2CCNC(=O)CC[NH3+])C1 ZINC001255424328 825982107 /nfs/dbraw/zinc/98/21/07/825982107.db2.gz UQFXOMCUZLNNJF-GFCCVEGCSA-N 2 1 265.361 -0.233 20 0 CBADMP C[N@H+]1CC[C@@H](N2CCN(CCN3CCOCC3)CC2)C1 ZINC001255435751 825983038 /nfs/dbraw/zinc/98/30/38/825983038.db2.gz LOGVVJPEEOFHFS-OAHLLOKOSA-N 2 1 282.432 -0.360 20 0 CBADMP C[N@@H+]1CC[C@@H](N2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC001255435751 825983044 /nfs/dbraw/zinc/98/30/44/825983044.db2.gz LOGVVJPEEOFHFS-OAHLLOKOSA-N 2 1 282.432 -0.360 20 0 CBADMP C[N@H+]1CC[C@@H](N2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC001255435751 825983053 /nfs/dbraw/zinc/98/30/53/825983053.db2.gz LOGVVJPEEOFHFS-OAHLLOKOSA-N 2 1 282.432 -0.360 20 0 CBADMP OC[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H](O)[C@@H]1O ZINC001256067148 826000231 /nfs/dbraw/zinc/00/02/31/826000231.db2.gz DIFDXLXGBBZEKH-JXJLXUTGSA-N 2 1 270.373 -0.695 20 0 CBADMP CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001257192295 826039692 /nfs/dbraw/zinc/03/96/92/826039692.db2.gz BZUVPKNZZPAOFC-GFCCVEGCSA-N 2 1 282.388 -0.641 20 0 CBADMP C[N@@H+]1C[C@@H]2C[NH+](C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC001257239893 826043338 /nfs/dbraw/zinc/04/33/38/826043338.db2.gz ITJNYMSMYRUVCT-TXEJJXNPSA-N 2 1 287.429 -0.096 20 0 CBADMP NS(=O)(=O)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001261637046 826551597 /nfs/dbraw/zinc/55/15/97/826551597.db2.gz FWCCVMCHYKXRCI-SNVBAGLBSA-N 2 1 261.391 -0.261 20 0 CBADMP Cn1cncc1CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001262031338 826625987 /nfs/dbraw/zinc/62/59/87/826625987.db2.gz ODOHJBZYFZEVLW-CQSZACIVSA-N 2 1 263.389 -0.058 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001262062716 826629421 /nfs/dbraw/zinc/62/94/21/826629421.db2.gz FYVPJNWLTDWEBU-AGIUHOORSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC001262067149 826630308 /nfs/dbraw/zinc/63/03/08/826630308.db2.gz UDIMYTVRVJJSDJ-KKOKHZNYSA-N 2 1 294.399 -0.419 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001262071362 826631574 /nfs/dbraw/zinc/63/15/74/826631574.db2.gz XTNFFGMNGZFWIL-TUAOUCFPSA-N 2 1 282.388 -0.608 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001262161625 826646120 /nfs/dbraw/zinc/64/61/20/826646120.db2.gz PDUVXQHLQVYMMH-STQMWFEESA-N 2 1 294.399 -0.367 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001262499478 826696454 /nfs/dbraw/zinc/69/64/54/826696454.db2.gz LXTCQOMLDJKTKG-STQMWFEESA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001262499478 826696461 /nfs/dbraw/zinc/69/64/61/826696461.db2.gz LXTCQOMLDJKTKG-STQMWFEESA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001262499478 826696469 /nfs/dbraw/zinc/69/64/69/826696469.db2.gz LXTCQOMLDJKTKG-STQMWFEESA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001262499478 826696477 /nfs/dbraw/zinc/69/64/77/826696477.db2.gz LXTCQOMLDJKTKG-STQMWFEESA-N 2 1 294.399 -0.497 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC[N@H+]1C ZINC001262542360 826702648 /nfs/dbraw/zinc/70/26/48/826702648.db2.gz YNRZGXHYROGICC-FVCCEPFGSA-N 2 1 296.415 -0.171 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001262554283 826708365 /nfs/dbraw/zinc/70/83/65/826708365.db2.gz ZEKUDROPRBUTOO-ZJUUUORDSA-N 2 1 265.361 -0.040 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2C[NH2+]CCN2C)C[C@H](C)O1 ZINC001263093916 826736000 /nfs/dbraw/zinc/73/60/00/826736000.db2.gz QDKCAZSYQJOHGP-MJBXVCDLSA-N 2 1 298.431 -0.495 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC[N@H+]1C ZINC001263100184 826736824 /nfs/dbraw/zinc/73/68/24/826736824.db2.gz HHTLNVCHKPJTJP-DCQANWLSSA-N 2 1 255.362 -0.302 20 0 CBADMP CC(C)(O)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001263099569 826737044 /nfs/dbraw/zinc/73/70/44/826737044.db2.gz OBVSXDVUGJPDHV-WDEREUQCSA-N 2 1 255.362 -0.315 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CCN2C)C[N@H+]1C1CC1 ZINC001263103423 826738490 /nfs/dbraw/zinc/73/84/90/826738490.db2.gz YRSNUVMDKNAONG-WZRBSPASSA-N 2 1 266.389 -0.369 20 0 CBADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CNCC[NH3+] ZINC001263107240 826739059 /nfs/dbraw/zinc/73/90/59/826739059.db2.gz RPUGDYMZBLQURC-ZDUSSCGKSA-N 2 1 292.383 -0.284 20 0 CBADMP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC001263107320 826739415 /nfs/dbraw/zinc/73/94/15/826739415.db2.gz TYHFBGUQAIYWJT-XQHKEYJVSA-N 2 1 266.389 -0.417 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC001263107897 826739814 /nfs/dbraw/zinc/73/98/14/826739814.db2.gz IUWFCZSMJYPCKB-VGMNWLOBSA-N 2 1 265.304 -0.732 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC001263107898 826739931 /nfs/dbraw/zinc/73/99/31/826739931.db2.gz IUWFCZSMJYPCKB-YIZRAAEISA-N 2 1 265.304 -0.732 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C12CC(C1)C[NH2+]2 ZINC001263165651 826747634 /nfs/dbraw/zinc/74/76/34/826747634.db2.gz JPWGGVXPVHWHGE-CVZZAPKMSA-N 2 1 280.372 -0.806 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001263210169 826754332 /nfs/dbraw/zinc/75/43/32/826754332.db2.gz DDQVCMZVFCZHOF-LBPRGKRZSA-N 2 1 254.378 -0.650 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001263274418 826759967 /nfs/dbraw/zinc/75/99/67/826759967.db2.gz BNLPZPWSPLUWEL-MDZLAQPJSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1C[N@@H+](C)CCN1C ZINC001263305681 826762374 /nfs/dbraw/zinc/76/23/74/826762374.db2.gz DJAFQULWRFMZBP-KIJLLGNVSA-N 2 1 266.389 -0.798 20 0 CBADMP C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CN(C)CCN1C ZINC001263305681 826762381 /nfs/dbraw/zinc/76/23/81/826762381.db2.gz DJAFQULWRFMZBP-KIJLLGNVSA-N 2 1 266.389 -0.798 20 0 CBADMP C[C@H](NC(=O)CCC1C[NH2+]C1)[C@H]1C[N@@H+](C)CCN1C ZINC001263306001 826762631 /nfs/dbraw/zinc/76/26/31/826762631.db2.gz NFQKCGOHROEDBV-WCQYABFASA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H](NC(=O)CCC1C[NH2+]C1)[C@H]1CN(C)CCN1C ZINC001263306001 826762634 /nfs/dbraw/zinc/76/26/34/826762634.db2.gz NFQKCGOHROEDBV-WCQYABFASA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H](NC(=O)CCC1C[NH2+]C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001263306001 826762637 /nfs/dbraw/zinc/76/26/37/826762637.db2.gz NFQKCGOHROEDBV-WCQYABFASA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H](NC(=O)CCC1C[NH2+]C1)[C@H]1CN(C)CC[N@H+]1C ZINC001263306001 826762640 /nfs/dbraw/zinc/76/26/40/826762640.db2.gz NFQKCGOHROEDBV-WCQYABFASA-N 2 1 268.405 -0.264 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@H](CO)C1 ZINC001263306088 826762846 /nfs/dbraw/zinc/76/28/46/826762846.db2.gz PIXYNTDPMITOCO-SGMGOOAPSA-N 2 1 267.373 -0.489 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@H](CO)C1 ZINC001263306088 826762849 /nfs/dbraw/zinc/76/28/49/826762849.db2.gz PIXYNTDPMITOCO-SGMGOOAPSA-N 2 1 267.373 -0.489 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001263809676 826778763 /nfs/dbraw/zinc/77/87/63/826778763.db2.gz NOOSTAZQGYRAFC-NWDGAFQWSA-N 2 1 257.378 -0.148 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001263809675 826779212 /nfs/dbraw/zinc/77/92/12/826779212.db2.gz NOOSTAZQGYRAFC-NEPJUHHUSA-N 2 1 257.378 -0.148 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001264387157 826805527 /nfs/dbraw/zinc/80/55/27/826805527.db2.gz FEVLEVUIXJCMDB-MJBXVCDLSA-N 2 1 299.415 -0.426 20 0 CBADMP CO[C@@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264973659 826825535 /nfs/dbraw/zinc/82/55/35/826825535.db2.gz FBJSBWWVMONLAQ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@@H](C)C[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264973659 826825544 /nfs/dbraw/zinc/82/55/44/826825544.db2.gz FBJSBWWVMONLAQ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@@H](C)C[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001264973659 826825552 /nfs/dbraw/zinc/82/55/52/826825552.db2.gz FBJSBWWVMONLAQ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@@H](C)C[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001264973659 826825561 /nfs/dbraw/zinc/82/55/61/826825561.db2.gz FBJSBWWVMONLAQ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@@H](O)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001264973564 826826563 /nfs/dbraw/zinc/82/65/63/826826563.db2.gz BWEOYVUKCNQUTM-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001264973564 826826574 /nfs/dbraw/zinc/82/65/74/826826574.db2.gz BWEOYVUKCNQUTM-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H](O)C[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001264973564 826826588 /nfs/dbraw/zinc/82/65/88/826826588.db2.gz BWEOYVUKCNQUTM-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H](O)C[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001264973564 826826602 /nfs/dbraw/zinc/82/66/02/826826602.db2.gz BWEOYVUKCNQUTM-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001265030919 826838555 /nfs/dbraw/zinc/83/85/55/826838555.db2.gz PDDMCXVQJRXHKM-UHFFFAOYSA-N 2 1 272.393 -0.536 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCOC)C2)C1 ZINC001265459619 826895275 /nfs/dbraw/zinc/89/52/75/826895275.db2.gz GNRRXFSSHQMTBI-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCOC)C2)C1 ZINC001265459619 826895288 /nfs/dbraw/zinc/89/52/88/826895288.db2.gz GNRRXFSSHQMTBI-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP 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 826910248 /nfs/dbraw/zinc/91/02/48/826910248.db2.gz UJVNNDZSASAFGX-IEECTRCBSA-N 2 1 269.389 -0.246 20 0 CBADMP CCOCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001265760828 826914933 /nfs/dbraw/zinc/91/49/33/826914933.db2.gz IBHSMXOOZACHKD-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP CCOCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001265760828 826914940 /nfs/dbraw/zinc/91/49/40/826914940.db2.gz IBHSMXOOZACHKD-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC1CC1 ZINC001265901980 826935190 /nfs/dbraw/zinc/93/51/90/826935190.db2.gz GVKOOUAOXJJKBV-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)NC1CC1 ZINC001265901980 826935197 /nfs/dbraw/zinc/93/51/97/826935197.db2.gz GVKOOUAOXJJKBV-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)NC1CC1 ZINC001265901980 826935201 /nfs/dbraw/zinc/93/52/01/826935201.db2.gz GVKOOUAOXJJKBV-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266275331 826969576 /nfs/dbraw/zinc/96/95/76/826969576.db2.gz VSNFEIVQPNKLAC-IJLUTSLNSA-N 2 1 257.378 -0.245 20 0 CBADMP C[C@@H](O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266275331 826969583 /nfs/dbraw/zinc/96/95/83/826969583.db2.gz VSNFEIVQPNKLAC-IJLUTSLNSA-N 2 1 257.378 -0.245 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCO)C1)[NH+](C)C ZINC001266246713 826963208 /nfs/dbraw/zinc/96/32/08/826963208.db2.gz VLNDGVIWABDKOK-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001266262881 826967885 /nfs/dbraw/zinc/96/78/85/826967885.db2.gz WBKYDQWUWCNEDR-GHMZBOCLSA-N 2 1 268.361 -0.983 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001266262881 826967896 /nfs/dbraw/zinc/96/78/96/826967896.db2.gz WBKYDQWUWCNEDR-GHMZBOCLSA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC001266262881 826967907 /nfs/dbraw/zinc/96/79/07/826967907.db2.gz WBKYDQWUWCNEDR-GHMZBOCLSA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCNC1=O ZINC001266262881 826967915 /nfs/dbraw/zinc/96/79/15/826967915.db2.gz WBKYDQWUWCNEDR-GHMZBOCLSA-N 2 1 268.361 -0.983 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266275331 826969571 /nfs/dbraw/zinc/96/95/71/826969571.db2.gz VSNFEIVQPNKLAC-IJLUTSLNSA-N 2 1 257.378 -0.245 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1CCO ZINC001266495945 827006944 /nfs/dbraw/zinc/00/69/44/827006944.db2.gz XPZSICSFJXEFFO-GFCCVEGCSA-N 2 1 255.362 -0.345 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266610214 827030435 /nfs/dbraw/zinc/03/04/35/827030435.db2.gz NCXFPFGYIPCZDM-GMTAPVOTSA-N 2 1 268.361 -0.937 20 0 CBADMP COCCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266626420 827035480 /nfs/dbraw/zinc/03/54/80/827035480.db2.gz JDHCIOZIXJVJKF-HDJSIYSDSA-N 2 1 299.415 -0.018 20 0 CBADMP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001266733747 827059825 /nfs/dbraw/zinc/05/98/25/827059825.db2.gz ZYBDYUMFEOGIBI-HZSPNIEDSA-N 2 1 299.415 -0.020 20 0 CBADMP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001266733747 827059835 /nfs/dbraw/zinc/05/98/35/827059835.db2.gz ZYBDYUMFEOGIBI-HZSPNIEDSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]CCCO ZINC001266949891 827094190 /nfs/dbraw/zinc/09/41/90/827094190.db2.gz RRSANQRJYKEHGI-JTQLQIEISA-N 2 1 284.360 -0.174 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cn(C)nn1 ZINC001267004311 827105586 /nfs/dbraw/zinc/10/55/86/827105586.db2.gz AAHHAZIFTQAYTE-UHFFFAOYSA-N 2 1 282.392 -0.295 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1cn(C)nn1 ZINC001267004311 827105590 /nfs/dbraw/zinc/10/55/90/827105590.db2.gz AAHHAZIFTQAYTE-UHFFFAOYSA-N 2 1 282.392 -0.295 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267006697 827105970 /nfs/dbraw/zinc/10/59/70/827105970.db2.gz QEFXFBKQFRGJGF-QWRGUYRKSA-N 2 1 268.361 -0.983 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]CC(=O)N(C)C1CC1 ZINC001267117380 827114047 /nfs/dbraw/zinc/11/40/47/827114047.db2.gz RPUFRHACVCYGDA-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001267135659 827116811 /nfs/dbraw/zinc/11/68/11/827116811.db2.gz LNKQRQBSEGTOOK-VIFPVBQESA-N 2 1 267.333 -0.839 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@H](C)[NH2+]CCCO)C1 ZINC001267154413 827119191 /nfs/dbraw/zinc/11/91/91/827119191.db2.gz CTJIYGJBQDMYOU-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@H](C)[NH2+]CCCO)C1 ZINC001267154413 827119198 /nfs/dbraw/zinc/11/91/98/827119198.db2.gz CTJIYGJBQDMYOU-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP C[N@@H+](CCCO)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001267210847 827128479 /nfs/dbraw/zinc/12/84/79/827128479.db2.gz MGNMQSQWVNGTCV-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+](CCCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267210847 827128486 /nfs/dbraw/zinc/12/84/86/827128486.db2.gz MGNMQSQWVNGTCV-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+](CCCO)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267210847 827128491 /nfs/dbraw/zinc/12/84/91/827128491.db2.gz MGNMQSQWVNGTCV-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CN(CC[NH2+]Cc1nncn1C)C(=O)C[N@H+](C)C1CCC1 ZINC001267384240 827163241 /nfs/dbraw/zinc/16/32/41/827163241.db2.gz NYXSHJKZRGUUDE-UHFFFAOYSA-N 2 1 294.403 -0.153 20 0 CBADMP CN(CC[NH2+]Cc1nncn1C)C(=O)C[N@@H+](C)C1CCC1 ZINC001267384240 827163243 /nfs/dbraw/zinc/16/32/43/827163243.db2.gz NYXSHJKZRGUUDE-UHFFFAOYSA-N 2 1 294.403 -0.153 20 0 CBADMP CNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267439665 827171309 /nfs/dbraw/zinc/17/13/09/827171309.db2.gz QVZJLTPTJKUABH-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001267475287 827176749 /nfs/dbraw/zinc/17/67/49/827176749.db2.gz ZSGCVPJJXCOWER-UHFFFAOYSA-N 2 1 286.420 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]CC(=O)N1CCCC1 ZINC001267473842 827177166 /nfs/dbraw/zinc/17/71/66/827177166.db2.gz KXHVRLSMSLYSTB-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001267732249 827210163 /nfs/dbraw/zinc/21/01/63/827210163.db2.gz KLCWRMZDXDGTMS-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001267732249 827210175 /nfs/dbraw/zinc/21/01/75/827210175.db2.gz KLCWRMZDXDGTMS-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001267732639 827210570 /nfs/dbraw/zinc/21/05/70/827210570.db2.gz XQAXEXNNWULVGX-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+]CCO ZINC001267811772 827225627 /nfs/dbraw/zinc/22/56/27/827225627.db2.gz NIWAXVQFWNFAAK-NSHDSACASA-N 2 1 254.334 -0.332 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CCCO ZINC001267997115 827239996 /nfs/dbraw/zinc/23/99/96/827239996.db2.gz AZTSHFDWMOINGI-VXGBXAGGSA-N 2 1 257.378 -0.195 20 0 CBADMP CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268320654 827298624 /nfs/dbraw/zinc/29/86/24/827298624.db2.gz PVDSMQHPTSWEHW-SDDRHHMPSA-N 2 1 257.378 -0.197 20 0 CBADMP CCC[NH2+]C[C@@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268321246 827298042 /nfs/dbraw/zinc/29/80/42/827298042.db2.gz LYHCWKHVKSAGTA-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP CCN(C)C(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268423209 827324836 /nfs/dbraw/zinc/32/48/36/827324836.db2.gz KNPAZWRVRZSETP-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCN(CC[NH2+]CCn1cncn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001268438932 827327811 /nfs/dbraw/zinc/32/78/11/827327811.db2.gz LHGRLNSEXFRBDJ-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001268461505 827335932 /nfs/dbraw/zinc/33/59/32/827335932.db2.gz LIARWBQXFNPKCO-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@H](O)CCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001268484659 827340541 /nfs/dbraw/zinc/34/05/41/827340541.db2.gz KIPAPPPULDWCHZ-RYUDHWBXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](O)CCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001268484659 827340552 /nfs/dbraw/zinc/34/05/52/827340552.db2.gz KIPAPPPULDWCHZ-RYUDHWBXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268518944 827349705 /nfs/dbraw/zinc/34/97/05/827349705.db2.gz AYYYTJBNQVWADO-RXNFCKPNSA-N 2 1 255.362 -0.013 20 0 CBADMP CC(C)[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268518944 827349710 /nfs/dbraw/zinc/34/97/10/827349710.db2.gz AYYYTJBNQVWADO-RXNFCKPNSA-N 2 1 255.362 -0.013 20 0 CBADMP CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268555251 827362351 /nfs/dbraw/zinc/36/23/51/827362351.db2.gz ICJLMZAINSDQTJ-SZZPACECSA-N 2 1 296.415 -0.131 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCO ZINC001268557731 827364165 /nfs/dbraw/zinc/36/41/65/827364165.db2.gz XSUHTUQVZBDFSS-MVZIDQBPSA-N 2 1 255.362 -0.275 20 0 CBADMP CC[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001268579983 827370229 /nfs/dbraw/zinc/37/02/29/827370229.db2.gz UTFGTWXRSJWXBH-QLQVPFRHSA-N 2 1 296.415 -0.003 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+]CCO)CC[N@H+]1C ZINC001268580422 827370574 /nfs/dbraw/zinc/37/05/74/827370574.db2.gz AZZDQYZMGVWQGZ-GFSGRHGLSA-N 2 1 269.389 -0.029 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\C[NH2+]CCO)C1 ZINC001268590905 827372742 /nfs/dbraw/zinc/37/27/42/827372742.db2.gz KRKLVGFRYYTPHU-ZZKXABKFSA-N 2 1 255.362 -0.418 20 0 CBADMP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001268625278 827382572 /nfs/dbraw/zinc/38/25/72/827382572.db2.gz MEBOSDAOHXALJR-IBPBTGAJSA-N 2 1 296.415 -0.323 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001268670831 827397948 /nfs/dbraw/zinc/39/79/48/827397948.db2.gz JFNYTNOQIWXYLC-ZJUUUORDSA-N 2 1 258.366 -0.704 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]CCF)C1 ZINC001268717055 827408727 /nfs/dbraw/zinc/40/87/27/827408727.db2.gz PODUBFZVQDXYCQ-QWRGUYRKSA-N 2 1 261.341 -0.229 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]CCF)C1 ZINC001268717055 827408733 /nfs/dbraw/zinc/40/87/33/827408733.db2.gz PODUBFZVQDXYCQ-QWRGUYRKSA-N 2 1 261.341 -0.229 20 0 CBADMP C[C@@H]([NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001268916164 827438482 /nfs/dbraw/zinc/43/84/82/827438482.db2.gz ZRRKYFYADBHHAZ-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CCC[NH2+]CCO)C1 ZINC001268952746 827443944 /nfs/dbraw/zinc/44/39/44/827443944.db2.gz BKTJTAQFZGMXPN-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CCC[NH2+]CCO)C1 ZINC001268952746 827443946 /nfs/dbraw/zinc/44/39/46/827443946.db2.gz BKTJTAQFZGMXPN-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCCO)C1)[NH+](C)C ZINC001269038962 827454017 /nfs/dbraw/zinc/45/40/17/827454017.db2.gz LPQAEJQNBRULAC-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@H](C)O)C1 ZINC001269078209 827461634 /nfs/dbraw/zinc/46/16/34/827461634.db2.gz CHTQKWCQDKRSGE-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](CCO)CCO ZINC001269094159 827463359 /nfs/dbraw/zinc/46/33/59/827463359.db2.gz BCJNLDLNMXSLNP-YHWZYXNKSA-N 2 1 285.388 -0.986 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C[C@H](C)O)C1)[NH+](C)C ZINC001269171983 827471353 /nfs/dbraw/zinc/47/13/53/827471353.db2.gz GNVAKCKCYCQCHB-TUAOUCFPSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCCO)C1 ZINC001269187238 827473193 /nfs/dbraw/zinc/47/31/93/827473193.db2.gz OYBQWCVNLUJYOD-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001269192009 827474554 /nfs/dbraw/zinc/47/45/54/827474554.db2.gz IJDWECVVPMPWEF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001269192009 827474555 /nfs/dbraw/zinc/47/45/55/827474555.db2.gz IJDWECVVPMPWEF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1CCCO)[NH+](C)C ZINC001269255472 827483990 /nfs/dbraw/zinc/48/39/90/827483990.db2.gz PRNNXRNYSRITGW-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCO)C1 ZINC001270187280 827553000 /nfs/dbraw/zinc/55/30/00/827553000.db2.gz HSKIUFIWRIQMGK-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001270671761 827586574 /nfs/dbraw/zinc/58/65/74/827586574.db2.gz DYLXCNBMDRXEQZ-MJBXVCDLSA-N 2 1 280.416 -0.073 20 0 CBADMP C[NH+](C)CCN1CCC12CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001270673954 827588351 /nfs/dbraw/zinc/58/83/51/827588351.db2.gz ZPHGBSLWPCCMKF-ZDUSSCGKSA-N 2 1 280.416 -0.071 20 0 CBADMP COCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001270928095 827607306 /nfs/dbraw/zinc/60/73/06/827607306.db2.gz AKIJXJUSWBJKNQ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP COCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001270928095 827607309 /nfs/dbraw/zinc/60/73/09/827607309.db2.gz AKIJXJUSWBJKNQ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001270976386 827610887 /nfs/dbraw/zinc/61/08/87/827610887.db2.gz COVNXBOVUFFSMK-LBPRGKRZSA-N 2 1 267.373 -0.129 20 0 CBADMP C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001270976386 827610893 /nfs/dbraw/zinc/61/08/93/827610893.db2.gz COVNXBOVUFFSMK-LBPRGKRZSA-N 2 1 267.373 -0.129 20 0 CBADMP C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001271053597 827618825 /nfs/dbraw/zinc/61/88/25/827618825.db2.gz HUSXKNDMPRWXDL-BETUJISGSA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001271053597 827618828 /nfs/dbraw/zinc/61/88/28/827618828.db2.gz HUSXKNDMPRWXDL-BETUJISGSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnon1)N(C)C(=O)CC[NH+](C)C ZINC001271093075 827621048 /nfs/dbraw/zinc/62/10/48/827621048.db2.gz NFNJDPNSUQFLQZ-JTQLQIEISA-N 2 1 269.349 -0.042 20 0 CBADMP C[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N(C)C)C2)[NH+](C)C ZINC001271146383 827629554 /nfs/dbraw/zinc/62/95/54/827629554.db2.gz AQPDLLTYYGKLIP-LBPRGKRZSA-N 2 1 296.415 -0.441 20 0 CBADMP CC[C@H](C(=O)NCC1(O)C[NH+](CC2CC2)C1)[NH+](C)C ZINC001271303665 827690283 /nfs/dbraw/zinc/69/02/83/827690283.db2.gz LBKQJDZUHBBRAX-GFCCVEGCSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1CC(O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001271303584 827690403 /nfs/dbraw/zinc/69/04/03/827690403.db2.gz IIZMZDGIVYCMKC-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H](C1)O2 ZINC001271939003 827737212 /nfs/dbraw/zinc/73/72/12/827737212.db2.gz DBMVNIRBFFVRIA-MJBXVCDLSA-N 2 1 279.384 -0.130 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H](C1)O2 ZINC001271939003 827737216 /nfs/dbraw/zinc/73/72/16/827737216.db2.gz DBMVNIRBFFVRIA-MJBXVCDLSA-N 2 1 279.384 -0.130 20 0 CBADMP CCC[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001272435072 827797632 /nfs/dbraw/zinc/79/76/32/827797632.db2.gz OMQCNIGVWQHPEM-LBPRGKRZSA-N 2 1 257.378 -0.053 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)C[NH2+]CCF ZINC001272444551 827798704 /nfs/dbraw/zinc/79/87/04/827798704.db2.gz VXQJGMZRDUAJJM-NWDGAFQWSA-N 2 1 275.368 -0.103 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](C(=O)N2[C@H]3COC[C@@H]2C[N@H+](C)C3)C1 ZINC001272613068 827828343 /nfs/dbraw/zinc/82/83/43/827828343.db2.gz DQBHPMUKMAWABE-MPZDIEGVSA-N 2 1 267.373 -0.132 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](C(=O)N2[C@H]3COC[C@@H]2C[N@@H+](C)C3)C1 ZINC001272613068 827828349 /nfs/dbraw/zinc/82/83/49/827828349.db2.gz DQBHPMUKMAWABE-MPZDIEGVSA-N 2 1 267.373 -0.132 20 0 CBADMP C[NH+](C)CCN1C(=O)COCC12C[NH+](CC1(C)COC1)C2 ZINC001273062199 827859141 /nfs/dbraw/zinc/85/91/41/827859141.db2.gz BBZQDJDNCDMFKF-UHFFFAOYSA-N 2 1 297.399 -0.502 20 0 CBADMP C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)[C@@H]2C1 ZINC001273069993 827860214 /nfs/dbraw/zinc/86/02/14/827860214.db2.gz OYONUIJOLKNUPC-SDDRHHMPSA-N 2 1 253.346 -0.785 20 0 CBADMP C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](O)C3)[C@@H]2C1 ZINC001273069993 827860195 /nfs/dbraw/zinc/86/01/95/827860195.db2.gz OYONUIJOLKNUPC-SDDRHHMPSA-N 2 1 253.346 -0.785 20 0 CBADMP C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](O)C3)[C@@H]2C1 ZINC001273069993 827860204 /nfs/dbraw/zinc/86/02/04/827860204.db2.gz OYONUIJOLKNUPC-SDDRHHMPSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](O)C3)[C@@H]2C1 ZINC001273069993 827860223 /nfs/dbraw/zinc/86/02/23/827860223.db2.gz OYONUIJOLKNUPC-SDDRHHMPSA-N 2 1 253.346 -0.785 20 0 CBADMP CCCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273175947 827872504 /nfs/dbraw/zinc/87/25/04/827872504.db2.gz MVHHXPIMVWLWTI-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001273201323 827873622 /nfs/dbraw/zinc/87/36/22/827873622.db2.gz LKCHQUMPKFZIIT-NWDGAFQWSA-N 2 1 269.389 -0.053 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C[NH+]3CCC3)C[C@@H]21 ZINC001273366328 827894591 /nfs/dbraw/zinc/89/45/91/827894591.db2.gz BVJIURLRSGGCIO-KBPBESRZSA-N 2 1 296.415 -0.835 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273703238 827920032 /nfs/dbraw/zinc/92/00/32/827920032.db2.gz DQXLPCIODATJNK-DOMZBBRYSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273703010 827920267 /nfs/dbraw/zinc/92/02/67/827920267.db2.gz ASVRAKUJNFJGDI-YNEHKIRRSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273703246 827920344 /nfs/dbraw/zinc/92/03/44/827920344.db2.gz DQXLPCIODATJNK-SWLSCSKDSA-N 2 1 296.415 -0.264 20 0 CBADMP CCOCC[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273958198 827947035 /nfs/dbraw/zinc/94/70/35/827947035.db2.gz AOIRMLSWMRIEMG-OAHLLOKOSA-N 2 1 299.415 -0.112 20 0 CBADMP COC[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001274038678 827954056 /nfs/dbraw/zinc/95/40/56/827954056.db2.gz XRIZNTZJKYKTDC-YNLGZWBXSA-N 2 1 299.415 -0.404 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274073497 827966419 /nfs/dbraw/zinc/96/64/19/827966419.db2.gz NYQZKIBIRBSPAY-AWEZNQCLSA-N 2 1 282.388 -0.782 20 0 CBADMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@H](O)CO ZINC001274565754 828002208 /nfs/dbraw/zinc/00/22/08/828002208.db2.gz UEUCIBLXLNDMGV-DZGCQCFKSA-N 2 1 299.415 -0.642 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274643445 828015391 /nfs/dbraw/zinc/01/53/91/828015391.db2.gz QFDROZCLZYTZGA-DZGCQCFKSA-N 2 1 299.415 -0.378 20 0 CBADMP COCCC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001274939861 828043739 /nfs/dbraw/zinc/04/37/39/828043739.db2.gz RRLBCFPWHKONED-KBPBESRZSA-N 2 1 271.405 -0.031 20 0 CBADMP COCC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001274981859 828048126 /nfs/dbraw/zinc/04/81/26/828048126.db2.gz XTDWGOXOWSFLGZ-STQMWFEESA-N 2 1 257.378 -0.421 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCO)C1 ZINC001275054342 828052758 /nfs/dbraw/zinc/05/27/58/828052758.db2.gz OVAVFJIWLXWVGQ-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001275172824 828062320 /nfs/dbraw/zinc/06/23/20/828062320.db2.gz WLDZMQGHMHBXCQ-KFWWJZLASA-N 2 1 283.416 -0.031 20 0 CBADMP COC(=O)CCC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001275158308 828063041 /nfs/dbraw/zinc/06/30/41/828063041.db2.gz BNOTVMVXALFHHC-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+](C)CCN1CCC12C[NH+](C[C@@H]1CCC(=O)N1)C2 ZINC001275187653 828064093 /nfs/dbraw/zinc/06/40/93/828064093.db2.gz KCWQAXAMAIDKPH-LBPRGKRZSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC(=O)N1 ZINC001275187257 828064485 /nfs/dbraw/zinc/06/44/85/828064485.db2.gz HGPLYBSHVOLBRE-MELADBBJSA-N 2 1 280.416 -0.025 20 0 CBADMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2C[C@H]1CCC(=O)N1 ZINC001275186913 828065429 /nfs/dbraw/zinc/06/54/29/828065429.db2.gz FKIAKJLMRAOTOO-RDBSUJKOSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnon1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001275445498 828089076 /nfs/dbraw/zinc/08/90/76/828089076.db2.gz HXLFOCPKWHBESG-UWVGGRQHSA-N 2 1 267.333 -0.384 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnon1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001275445498 828089081 /nfs/dbraw/zinc/08/90/81/828089081.db2.gz HXLFOCPKWHBESG-UWVGGRQHSA-N 2 1 267.333 -0.384 20 0 CBADMP COC(C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1)OC ZINC001276643488 828153859 /nfs/dbraw/zinc/15/38/59/828153859.db2.gz OAOQMLOWVFEIFR-UHFFFAOYSA-N 2 1 257.378 -0.216 20 0 CBADMP CN(CCC[NH2+]C[C@H]1CCOC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001275930780 828123865 /nfs/dbraw/zinc/12/38/65/828123865.db2.gz QUPLXDJSTPIMLR-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CCC[NH2+]C[C@H]1CCOC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001275930780 828123868 /nfs/dbraw/zinc/12/38/68/828123868.db2.gz QUPLXDJSTPIMLR-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001276076408 828133341 /nfs/dbraw/zinc/13/33/41/828133341.db2.gz OWPFJQVPMZYZTC-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001276076281 828133356 /nfs/dbraw/zinc/13/33/56/828133356.db2.gz NATFOGQUYKJRND-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001276379686 828143027 /nfs/dbraw/zinc/14/30/27/828143027.db2.gz OZLAUHHHNQFHAA-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1C[NH+](CCO)C1 ZINC001276433737 828146114 /nfs/dbraw/zinc/14/61/14/828146114.db2.gz WICLIRPJFHVZHZ-NWDGAFQWSA-N 2 1 269.389 -0.243 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CCO)C1 ZINC001276448708 828147048 /nfs/dbraw/zinc/14/70/48/828147048.db2.gz ZCNFHDCGCJWHET-LLVKDONJSA-N 2 1 257.378 -0.243 20 0 CBADMP COCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001276821119 828161962 /nfs/dbraw/zinc/16/19/62/828161962.db2.gz FTDDDOXIPMATRK-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001276821119 828161966 /nfs/dbraw/zinc/16/19/66/828161966.db2.gz FTDDDOXIPMATRK-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001276821119 828161969 /nfs/dbraw/zinc/16/19/69/828161969.db2.gz FTDDDOXIPMATRK-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001276821119 828161973 /nfs/dbraw/zinc/16/19/73/828161973.db2.gz FTDDDOXIPMATRK-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1C[C@H](C)O ZINC001276956892 828168135 /nfs/dbraw/zinc/16/81/35/828168135.db2.gz PKCHPWVJEKTFMK-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1C[C@H](C)O ZINC001276956892 828168140 /nfs/dbraw/zinc/16/81/40/828168140.db2.gz PKCHPWVJEKTFMK-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1C[C@H](C)O ZINC001276956892 828168142 /nfs/dbraw/zinc/16/81/42/828168142.db2.gz PKCHPWVJEKTFMK-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCO)CC2)CC[N@H+]1C ZINC001277060845 828174110 /nfs/dbraw/zinc/17/41/10/828174110.db2.gz UADVWYWZMHJIAV-NWDGAFQWSA-N 2 1 269.389 -0.053 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001277093944 828175336 /nfs/dbraw/zinc/17/53/36/828175336.db2.gz GHDYRVYTSHCKRQ-SNVBAGLBSA-N 2 1 268.361 -0.806 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](C[C@H]3COCCO3)C[C@@H]21 ZINC001277527155 828193651 /nfs/dbraw/zinc/19/36/51/828193651.db2.gz WBUHENMGRHJSPF-KKUMJFAQSA-N 2 1 299.415 -0.652 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](C[C@@H]3COCCO3)C[C@@H]21 ZINC001277527151 828194633 /nfs/dbraw/zinc/19/46/33/828194633.db2.gz WBUHENMGRHJSPF-ILXRZTDVSA-N 2 1 299.415 -0.652 20 0 CBADMP CNC(=O)C(C)(C)[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001277638427 828201389 /nfs/dbraw/zinc/20/13/89/828201389.db2.gz FCGZWBYAGMVKJF-UHFFFAOYSA-N 2 1 268.405 -0.310 20 0 CBADMP Cn1cnc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]2C(N)=O)c1 ZINC001277821154 828212458 /nfs/dbraw/zinc/21/24/58/828212458.db2.gz FFHGIJUJXNJRMT-CHWSQXEVSA-N 2 1 291.399 -0.080 20 0 CBADMP C[C@H](O)C[NH+]1CCC2(C[NH+](CC(=O)N(C)C)C2)CC1 ZINC001277959912 828223094 /nfs/dbraw/zinc/22/30/94/828223094.db2.gz WXMQWIDKLAAPKC-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277960923 828223472 /nfs/dbraw/zinc/22/34/72/828223472.db2.gz NYYUYJXCQSVKAY-RWMBFGLXSA-N 2 1 257.378 -0.686 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277960923 828223481 /nfs/dbraw/zinc/22/34/81/828223481.db2.gz NYYUYJXCQSVKAY-RWMBFGLXSA-N 2 1 257.378 -0.686 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001277994957 828227801 /nfs/dbraw/zinc/22/78/01/828227801.db2.gz LSZVDUFKUWCENV-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCOCCO)C1 ZINC001277997814 828229165 /nfs/dbraw/zinc/22/91/65/828229165.db2.gz UEZWZCGDMJVBRL-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CCNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001278027921 828231914 /nfs/dbraw/zinc/23/19/14/828231914.db2.gz YDKXBHVYNRJILI-RYUDHWBXSA-N 2 1 294.399 -0.735 20 0 CBADMP CCNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001278027921 828231920 /nfs/dbraw/zinc/23/19/20/828231920.db2.gz YDKXBHVYNRJILI-RYUDHWBXSA-N 2 1 294.399 -0.735 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001278031895 828232609 /nfs/dbraw/zinc/23/26/09/828232609.db2.gz AFXFMYNHLRGWAS-AVGNSLFASA-N 2 1 284.404 -0.803 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CCC2(C[NH+](CC(=O)N(C)C)C2)CC1 ZINC001278027875 828232287 /nfs/dbraw/zinc/23/22/87/828232287.db2.gz HXBKANOELXTXOK-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001278031895 828232614 /nfs/dbraw/zinc/23/26/14/828232614.db2.gz AFXFMYNHLRGWAS-AVGNSLFASA-N 2 1 284.404 -0.803 20 0 CBADMP CN(C[C@H](O)C[NH2+]CCF)C(=O)[C@@H]1CCC[N@H+]1C ZINC001278737762 828279085 /nfs/dbraw/zinc/27/90/85/828279085.db2.gz UHVVTHJGFGJRLU-MNOVXSKESA-N 2 1 261.341 -0.541 20 0 CBADMP CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278765909 828283793 /nfs/dbraw/zinc/28/37/93/828283793.db2.gz FDMNTAQUILBHOB-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001278765909 828283801 /nfs/dbraw/zinc/28/38/01/828283801.db2.gz FDMNTAQUILBHOB-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001278765909 828283806 /nfs/dbraw/zinc/28/38/06/828283806.db2.gz FDMNTAQUILBHOB-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC1(O)C[NH+](C(C)C)C1 ZINC001278919365 828308816 /nfs/dbraw/zinc/30/88/16/828308816.db2.gz QAYUDBKKNLOBAG-UHFFFAOYSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1(O)C[NH+](C(C)C)C1 ZINC001278919365 828308823 /nfs/dbraw/zinc/30/88/23/828308823.db2.gz QAYUDBKKNLOBAG-UHFFFAOYSA-N 2 1 257.378 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188158685 884722355 /nfs/dbraw/zinc/72/23/55/884722355.db2.gz UKYCCNRXPLPVGZ-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315628 884761777 /nfs/dbraw/zinc/76/17/77/884761777.db2.gz UOPUEALMHLJIRT-FRRDWIJNSA-N 2 1 287.404 -0.618 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378005 884778710 /nfs/dbraw/zinc/77/87/10/884778710.db2.gz ASWWIGWUZODIMF-IJLUTSLNSA-N 2 1 273.377 -0.866 20 0 CBADMP CC[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001326092118 884904325 /nfs/dbraw/zinc/90/43/25/884904325.db2.gz VEVHJIYHAPEYGL-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC001326309522 884979065 /nfs/dbraw/zinc/97/90/65/884979065.db2.gz NDLVLWSJRNMMEX-QWHCGFSZSA-N 2 1 268.405 -0.310 20 0 CBADMP COCCOC[C@H]1CC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001326308849 884979709 /nfs/dbraw/zinc/97/97/09/884979709.db2.gz FWBJIWUNGRWPCF-ZDUSSCGKSA-N 2 1 285.388 -0.597 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)COCC[NH3+])n1C ZINC001326356503 885005090 /nfs/dbraw/zinc/00/50/90/885005090.db2.gz MTBUYGZNBNRKQK-UHFFFAOYSA-N 2 1 255.322 -0.922 20 0 CBADMP C([C@H]1C[NH2+]CCO1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327560955 885406736 /nfs/dbraw/zinc/40/67/36/885406736.db2.gz AGHACMDJCMAFDL-QWHCGFSZSA-N 2 1 255.362 -0.619 20 0 CBADMP CN(CCOCC[NH3+])C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC001330609134 886502200 /nfs/dbraw/zinc/50/22/00/886502200.db2.gz ZFDXUEKPZYELCU-UHFFFAOYSA-N 2 1 267.333 -0.897 20 0 CBADMP C[C@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]CCO ZINC001331468985 886815304 /nfs/dbraw/zinc/81/53/04/886815304.db2.gz FZSMHJCEKYDTII-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001331689817 886911917 /nfs/dbraw/zinc/91/19/17/886911917.db2.gz OGJBSXXGWJNGIF-SDDRHHMPSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC2CC2)CC[N@H+]1C ZINC001331710437 886927734 /nfs/dbraw/zinc/92/77/34/886927734.db2.gz AMUBDWLWBQIYLZ-RAIGVLPGSA-N 2 1 269.389 -0.197 20 0 CBADMP CCOCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001331834408 887006192 /nfs/dbraw/zinc/00/61/92/887006192.db2.gz HLZGUPIAHHYLJS-NWDGAFQWSA-N 2 1 273.377 -0.959 20 0 CBADMP C[N@H+](CCOCC[NH3+])C[C@@H]1CCCS(=O)(=O)C1 ZINC001331848245 887011284 /nfs/dbraw/zinc/01/12/84/887011284.db2.gz ZIWMTNZGYZHLFP-NSHDSACASA-N 2 1 264.391 -0.282 20 0 CBADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCCS(=O)(=O)C1 ZINC001331848245 887011292 /nfs/dbraw/zinc/01/12/92/887011292.db2.gz ZIWMTNZGYZHLFP-NSHDSACASA-N 2 1 264.391 -0.282 20 0 CBADMP COCC[NH2+]C1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC001332627022 887379627 /nfs/dbraw/zinc/37/96/27/887379627.db2.gz CLLCEGRPPBWZIS-UHFFFAOYSA-N 2 1 272.349 -0.728 20 0 CBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)Nc1ccon1 ZINC001332816360 887436398 /nfs/dbraw/zinc/43/63/98/887436398.db2.gz RRULVOMAJZRYNF-UHFFFAOYSA-N 2 1 253.306 -0.892 20 0 CBADMP CC(=O)N1C[C@@H]2C[N@H+](CCN3CC[NH2+]CC3)C[C@@H]2C1 ZINC001333161390 887545221 /nfs/dbraw/zinc/54/52/21/887545221.db2.gz NRLYFGBMWGPSJF-OKILXGFUSA-N 2 1 266.389 -0.698 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333407204 887624876 /nfs/dbraw/zinc/62/48/76/887624876.db2.gz UKXZGWFKDBUEQN-UTUOFQBUSA-N 2 1 284.404 -0.314 20 0 CBADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H]1CNC(=O)C1)CCO2 ZINC001333608411 887713219 /nfs/dbraw/zinc/71/32/19/887713219.db2.gz ZKRKZQAPTDEDRM-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC001333626580 887722078 /nfs/dbraw/zinc/72/20/78/887722078.db2.gz SLZYBTJMQHGCGD-UWVGGRQHSA-N 2 1 270.377 -0.561 20 0 CBADMP CN1CCO[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2C)C1 ZINC001336224433 888721753 /nfs/dbraw/zinc/72/17/53/888721753.db2.gz PFIXNYRTZHCPKT-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001336224433 888721772 /nfs/dbraw/zinc/72/17/72/888721772.db2.gz PFIXNYRTZHCPKT-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001336224433 888721783 /nfs/dbraw/zinc/72/17/83/888721783.db2.gz PFIXNYRTZHCPKT-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2C)C1 ZINC001336224433 888721819 /nfs/dbraw/zinc/72/18/19/888721819.db2.gz PFIXNYRTZHCPKT-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@H]1[NH3+] ZINC001336812363 888890717 /nfs/dbraw/zinc/89/07/17/888890717.db2.gz YLWQQTBZKWHXRB-IJLUTSLNSA-N 2 1 269.393 -0.779 20 0 CBADMP C[NH+]1CCC([NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001337856321 889088368 /nfs/dbraw/zinc/08/83/68/889088368.db2.gz UWGVYIXVWJSVLG-STQMWFEESA-N 2 1 258.362 -0.427 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC[C@H]([NH3+])C1 ZINC001338518624 889170760 /nfs/dbraw/zinc/17/07/60/889170760.db2.gz KNULONUSNLXQKB-RYUDHWBXSA-N 2 1 269.393 -0.635 20 0 CBADMP [NH3+]CC1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC(O)C1 ZINC001340044260 889367925 /nfs/dbraw/zinc/36/79/25/889367925.db2.gz ISSFAEBOHDTKTJ-MRFPXMQZSA-N 2 1 267.373 -0.171 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC001340467725 889437547 /nfs/dbraw/zinc/43/75/47/889437547.db2.gz BKRJVZCJICLRAT-GRYCIOLGSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@]1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](O)C[NH2+]1 ZINC001340807115 889490150 /nfs/dbraw/zinc/49/01/50/889490150.db2.gz HHQVVQIDADSSSB-ZKYQVNSYSA-N 2 1 267.373 -0.300 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC001341340991 889576633 /nfs/dbraw/zinc/57/66/33/889576633.db2.gz JBXRZWFXFKTFDR-UPJWGTAASA-N 2 1 268.405 -0.134 20 0 CBADMP CN1CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC[N@H+](C)CC1 ZINC001341511931 889612094 /nfs/dbraw/zinc/61/20/94/889612094.db2.gz MOPKIMQFNAMGDI-STQMWFEESA-N 2 1 286.395 -0.360 20 0 CBADMP CN1CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC[N@@H+](C)CC1 ZINC001341511931 889612098 /nfs/dbraw/zinc/61/20/98/889612098.db2.gz MOPKIMQFNAMGDI-STQMWFEESA-N 2 1 286.395 -0.360 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001341553798 889620215 /nfs/dbraw/zinc/62/02/15/889620215.db2.gz BQDZIWFPLBREJY-LKSINWNRSA-N 2 1 269.389 -0.066 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC001341664681 889643513 /nfs/dbraw/zinc/64/35/13/889643513.db2.gz CYHQDFWYERDXGA-VXGBXAGGSA-N 2 1 264.329 -0.736 20 0 CBADMP C[N@@H+](CCNC(=O)C[C@]1(O)CCC[NH2+]C1)C1CC1 ZINC001341672680 889646836 /nfs/dbraw/zinc/64/68/36/889646836.db2.gz LPILSEKWYVLFRP-CYBMUJFWSA-N 2 1 255.362 -0.299 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001341717261 889652934 /nfs/dbraw/zinc/65/29/34/889652934.db2.gz OVFWAIWRWTZASH-WCQYABFASA-N 2 1 257.378 -0.053 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001341940482 889686552 /nfs/dbraw/zinc/68/65/52/889686552.db2.gz KDLKGHGLGJHMFG-GRYCIOLGSA-N 2 1 256.394 -0.280 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001443735791 912268768 /nfs/dbraw/zinc/26/87/68/912268768.db2.gz BFOGRMTZRGYGEZ-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001443735791 912268786 /nfs/dbraw/zinc/26/87/86/912268786.db2.gz BFOGRMTZRGYGEZ-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001443735791 912268800 /nfs/dbraw/zinc/26/88/00/912268800.db2.gz BFOGRMTZRGYGEZ-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001443735791 912268813 /nfs/dbraw/zinc/26/88/13/912268813.db2.gz BFOGRMTZRGYGEZ-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001342021531 889696699 /nfs/dbraw/zinc/69/66/99/889696699.db2.gz LYPKEHUCYLSBCJ-UTUOFQBUSA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)[C@@H](CO)C1 ZINC001342035096 889701793 /nfs/dbraw/zinc/70/17/93/889701793.db2.gz KIRHHIKMQDGTBE-ZIQFBCGOSA-N 2 1 253.346 -0.895 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001443768735 912272678 /nfs/dbraw/zinc/27/26/78/912272678.db2.gz OKNOCWXPLOUQIV-QJPTWQEYSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001443768735 912272697 /nfs/dbraw/zinc/27/26/97/912272697.db2.gz OKNOCWXPLOUQIV-QJPTWQEYSA-N 2 1 284.404 -0.348 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)[C@@H](CO)C1 ZINC001342035096 889701802 /nfs/dbraw/zinc/70/18/02/889701802.db2.gz KIRHHIKMQDGTBE-ZIQFBCGOSA-N 2 1 253.346 -0.895 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001443810925 912280498 /nfs/dbraw/zinc/28/04/98/912280498.db2.gz GKJHDBPIQMGRMG-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001443810925 912280517 /nfs/dbraw/zinc/28/05/17/912280517.db2.gz GKJHDBPIQMGRMG-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001443834751 912284069 /nfs/dbraw/zinc/28/40/69/912284069.db2.gz AJUWDGFGFDPEQV-STQMWFEESA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001443834751 912284089 /nfs/dbraw/zinc/28/40/89/912284089.db2.gz AJUWDGFGFDPEQV-STQMWFEESA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001443834751 912284105 /nfs/dbraw/zinc/28/41/05/912284105.db2.gz AJUWDGFGFDPEQV-STQMWFEESA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001443834751 912284120 /nfs/dbraw/zinc/28/41/20/912284120.db2.gz AJUWDGFGFDPEQV-STQMWFEESA-N 2 1 298.431 -0.006 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001342391391 889766524 /nfs/dbraw/zinc/76/65/24/889766524.db2.gz FNUSLQGXAHCAHF-LOWDOPEQSA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001342393073 889767223 /nfs/dbraw/zinc/76/72/23/889767223.db2.gz SGBJAHUIZMLJJE-YFKTTZPYSA-N 2 1 252.362 -0.772 20 0 CBADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@@H](C)C(=O)NC ZINC001444030945 912329815 /nfs/dbraw/zinc/32/98/15/912329815.db2.gz DFKADQKWWBNFJK-CMPLNLGQSA-N 2 1 295.387 -0.190 20 0 CBADMP O=C([C@@H]1CCC[NH2+]1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001342697179 889818863 /nfs/dbraw/zinc/81/88/63/889818863.db2.gz ZCILDLHYGDOCJL-XQQFMLRXSA-N 2 1 267.373 -0.204 20 0 CBADMP O=C(C[NH2+]C1CC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001342695833 889819052 /nfs/dbraw/zinc/81/90/52/889819052.db2.gz KYCQKSNHXLXLFW-CHWSQXEVSA-N 2 1 267.373 -0.204 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001343474315 889916826 /nfs/dbraw/zinc/91/68/26/889916826.db2.gz VGAGYAFVZJWHRT-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@H]3C[NH2+]CCO3)[C@H]2C1 ZINC001343683706 889947949 /nfs/dbraw/zinc/94/79/49/889947949.db2.gz QGLAOGLRPZUICZ-NNYUYHANSA-N 2 1 253.346 -0.569 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001444639682 912486099 /nfs/dbraw/zinc/48/60/99/912486099.db2.gz UBBFOOGAHMHTQC-JTQLQIEISA-N 2 1 281.360 -0.626 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001444880068 912512522 /nfs/dbraw/zinc/51/25/22/912512522.db2.gz KNMDFRJRDLSIHZ-GFCCVEGCSA-N 2 1 295.387 -0.332 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001445038028 912542639 /nfs/dbraw/zinc/54/26/39/912542639.db2.gz ZJTNWURCHRARFW-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001445038028 912542654 /nfs/dbraw/zinc/54/26/54/912542654.db2.gz ZJTNWURCHRARFW-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001445038028 912542672 /nfs/dbraw/zinc/54/26/72/912542672.db2.gz ZJTNWURCHRARFW-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001445038028 912542690 /nfs/dbraw/zinc/54/26/90/912542690.db2.gz ZJTNWURCHRARFW-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001345955143 890185621 /nfs/dbraw/zinc/18/56/21/890185621.db2.gz CGJLIMSAEUUAKS-GXTWGEPZSA-N 3 1 268.405 -0.146 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)[C@@H]1CCNC1=O ZINC001445066586 912551212 /nfs/dbraw/zinc/55/12/12/912551212.db2.gz SGOWWDFJMTWSCF-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)[C@@H]1CCNC1=O ZINC001445066586 912551225 /nfs/dbraw/zinc/55/12/25/912551225.db2.gz SGOWWDFJMTWSCF-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O ZINC001445066586 912551239 /nfs/dbraw/zinc/55/12/39/912551239.db2.gz SGOWWDFJMTWSCF-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC001445066586 912551246 /nfs/dbraw/zinc/55/12/46/912551246.db2.gz SGOWWDFJMTWSCF-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC2CCCC2)C1 ZINC001445149761 912580418 /nfs/dbraw/zinc/58/04/18/912580418.db2.gz DHZZNQRVPWWBRJ-ZIAGYGMSSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC2CCCC2)C1 ZINC001445149761 912580428 /nfs/dbraw/zinc/58/04/28/912580428.db2.gz DHZZNQRVPWWBRJ-ZIAGYGMSSA-N 2 1 299.415 -0.426 20 0 CBADMP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001445151628 912582825 /nfs/dbraw/zinc/58/28/25/912582825.db2.gz JCUUBTVSBBVFIU-STQMWFEESA-N 2 1 295.387 -0.919 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccon1)[NH+](C)C ZINC001445256244 912616398 /nfs/dbraw/zinc/61/63/98/912616398.db2.gz ALVZFUAXUNWRIE-CHWSQXEVSA-N 2 1 298.387 -0.173 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1([NH3+])CC1 ZINC001346633368 890334263 /nfs/dbraw/zinc/33/42/63/890334263.db2.gz OSOAISYPWPBTLF-SNVBAGLBSA-N 2 1 255.366 -0.977 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001445358120 912647278 /nfs/dbraw/zinc/64/72/78/912647278.db2.gz YCAKNXVZJKVXBR-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)[C@H]1CCO ZINC001347144809 890415181 /nfs/dbraw/zinc/41/51/81/890415181.db2.gz BJUPCLCWTJLGBC-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445435645 912668251 /nfs/dbraw/zinc/66/82/51/912668251.db2.gz IJXUOEAFPSSLBN-SNVBAGLBSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001445568156 912701205 /nfs/dbraw/zinc/70/12/05/912701205.db2.gz QPBXLGSJAXRZNX-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001445582130 912706967 /nfs/dbraw/zinc/70/69/67/912706967.db2.gz MAFFEMFQCCLBIX-CMPLNLGQSA-N 2 1 293.371 -0.436 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001445604066 912710040 /nfs/dbraw/zinc/71/00/40/912710040.db2.gz HELDWSPEAQKFFZ-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)C2 ZINC001445605882 912710135 /nfs/dbraw/zinc/71/01/35/912710135.db2.gz OPTYIKOCSCIJPL-GXSJLCMTSA-N 2 1 293.371 -0.666 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001445660882 912729587 /nfs/dbraw/zinc/72/95/87/912729587.db2.gz XDPRSBBCBSIQRU-LBPRGKRZSA-N 2 1 286.420 -0.055 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)CC(=O)N1CCC1 ZINC001445835929 912763082 /nfs/dbraw/zinc/76/30/82/912763082.db2.gz MAJQTKZDRUCSQJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)CC(=O)N1CCC1 ZINC001445835929 912763093 /nfs/dbraw/zinc/76/30/93/912763093.db2.gz MAJQTKZDRUCSQJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N1CCC1 ZINC001445835929 912763105 /nfs/dbraw/zinc/76/31/05/912763105.db2.gz MAJQTKZDRUCSQJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N1CCC1 ZINC001445835929 912763117 /nfs/dbraw/zinc/76/31/17/912763117.db2.gz MAJQTKZDRUCSQJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001445871179 912776681 /nfs/dbraw/zinc/77/66/81/912776681.db2.gz OPSNZLMDISLBIW-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001445871179 912776691 /nfs/dbraw/zinc/77/66/91/912776691.db2.gz OPSNZLMDISLBIW-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445871179 912776700 /nfs/dbraw/zinc/77/67/00/912776700.db2.gz OPSNZLMDISLBIW-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445871179 912776711 /nfs/dbraw/zinc/77/67/11/912776711.db2.gz OPSNZLMDISLBIW-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001445865023 912777135 /nfs/dbraw/zinc/77/71/35/912777135.db2.gz DZOTWUJOEFNFPM-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001445865023 912777145 /nfs/dbraw/zinc/77/71/45/912777145.db2.gz DZOTWUJOEFNFPM-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001445866621 912777390 /nfs/dbraw/zinc/77/73/90/912777390.db2.gz HKEHLUBSNAUOJN-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CC[N@H+](CCO)C2)no1 ZINC001028645241 884615488 /nfs/dbraw/zinc/61/54/88/884615488.db2.gz ARTCDYYFWXAHKZ-NSHDSACASA-N 2 1 296.371 -0.220 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)no1 ZINC001028645241 884615498 /nfs/dbraw/zinc/61/54/98/884615498.db2.gz ARTCDYYFWXAHKZ-NSHDSACASA-N 2 1 296.371 -0.220 20 0 CBADMP O=C(NCC1CC([NH2+]CCO)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001091346122 884648982 /nfs/dbraw/zinc/64/89/82/884648982.db2.gz VXTAZVICYHJYAC-PIMMBPRGSA-N 2 1 281.400 -0.051 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCO)C1 ZINC001091100402 884649265 /nfs/dbraw/zinc/64/92/65/884649265.db2.gz SAUNOEVAHDKUAE-WXRRBKDZSA-N 2 1 269.389 -0.053 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CCOCCO ZINC001152426472 884676143 /nfs/dbraw/zinc/67/61/43/884676143.db2.gz JGXDAGSHVWUZCG-UHFFFAOYSA-N 2 1 261.366 -0.959 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+][C@H]2CCCNC2=O)CC1 ZINC001446255352 912851299 /nfs/dbraw/zinc/85/12/99/912851299.db2.gz CWRLRRLFIIANRA-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001446280311 912856339 /nfs/dbraw/zinc/85/63/39/912856339.db2.gz WONHLYFBUIMWEE-GHMZBOCLSA-N 2 1 282.388 -0.689 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001188158209 884722465 /nfs/dbraw/zinc/72/24/65/884722465.db2.gz HJIAVEYKXACXFT-CYBMUJFWSA-N 2 1 294.403 -0.191 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CCO)CC1 ZINC001203459754 884749830 /nfs/dbraw/zinc/74/98/30/884749830.db2.gz JKQROOMCBXGPCQ-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP CC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001206464537 884758117 /nfs/dbraw/zinc/75/81/17/884758117.db2.gz PWVFTHPAVSFCHQ-RWMBFGLXSA-N 2 1 255.362 -0.504 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001210811967 884765300 /nfs/dbraw/zinc/76/53/00/884765300.db2.gz SEUGBQKYSMJNPY-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371765 884772627 /nfs/dbraw/zinc/77/26/27/884772627.db2.gz VFUQSUUYPGYITP-FRRDWIJNSA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371765 884772634 /nfs/dbraw/zinc/77/26/34/884772634.db2.gz VFUQSUUYPGYITP-FRRDWIJNSA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211371765 884772639 /nfs/dbraw/zinc/77/26/39/884772639.db2.gz VFUQSUUYPGYITP-FRRDWIJNSA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211371765 884772645 /nfs/dbraw/zinc/77/26/45/884772645.db2.gz VFUQSUUYPGYITP-FRRDWIJNSA-N 2 1 298.431 -0.102 20 0 CBADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1[NH2+]CC[C@@H]1O ZINC001219795549 884791682 /nfs/dbraw/zinc/79/16/82/884791682.db2.gz CNMLUOHWBNRIBN-KBPBESRZSA-N 2 1 296.415 -0.958 20 0 CBADMP N[C@@]1(C(=O)NC2CCN(C3CC[NH2+]CC3)CC2)CC[NH2+]C1 ZINC001219796354 884791841 /nfs/dbraw/zinc/79/18/41/884791841.db2.gz WYNDRZKYOCQCNA-HNNXBMFYSA-N 2 1 295.431 -0.990 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC001326027485 884875887 /nfs/dbraw/zinc/87/58/87/884875887.db2.gz TUPAHYWHCZHDEI-NSHDSACASA-N 2 1 280.376 -0.302 20 0 CBADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2CC[NH2+]2)CC1 ZINC001326037298 884883583 /nfs/dbraw/zinc/88/35/83/884883583.db2.gz INLHCYISCDMMFD-LLVKDONJSA-N 2 1 263.345 -0.133 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC001326035966 884884661 /nfs/dbraw/zinc/88/46/61/884884661.db2.gz NBAFZVJHTBPXQN-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH2+]CCCN(C)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC001326137059 884920338 /nfs/dbraw/zinc/92/03/38/884920338.db2.gz BOOIUBXSKWTUOJ-UHFFFAOYSA-N 2 1 251.334 -0.263 20 0 CBADMP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001326135628 884921133 /nfs/dbraw/zinc/92/11/33/884921133.db2.gz XZBMZDOXGINPND-OLZOCXBDSA-N 2 1 287.404 -0.881 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCO ZINC001326149244 884924279 /nfs/dbraw/zinc/92/42/79/884924279.db2.gz UPRZCZUMLVUJLX-CYBMUJFWSA-N 2 1 287.404 -0.736 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001446435175 912879930 /nfs/dbraw/zinc/87/99/30/912879930.db2.gz ITTXATNXZLSSHM-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC001326179004 884935244 /nfs/dbraw/zinc/93/52/44/884935244.db2.gz GPVNXGBSYBXSOT-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001326182112 884935990 /nfs/dbraw/zinc/93/59/90/884935990.db2.gz FHTQEEMBXGEORY-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](C(=O)N1CC[C@H](C[NH3+])C1)N1CC[NH+](C)CC1 ZINC001326276767 884970349 /nfs/dbraw/zinc/97/03/49/884970349.db2.gz WEZBVPYRHQKUQG-VXGBXAGGSA-N 2 1 254.378 -0.571 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC001326292069 884972631 /nfs/dbraw/zinc/97/26/31/884972631.db2.gz MVAAAMOSXONIGB-MWLCHTKSSA-N 2 1 253.350 -0.205 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC001326292068 884974171 /nfs/dbraw/zinc/97/41/71/884974171.db2.gz MVAAAMOSXONIGB-KOLCDFICSA-N 2 1 253.350 -0.205 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)c1cn(CCC[NH3+])nn1 ZINC001326300075 884975993 /nfs/dbraw/zinc/97/59/93/884975993.db2.gz XDCGLQSEUMCYKT-UHFFFAOYSA-N 2 1 291.359 -0.048 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCO)C1 ZINC001326329523 884987590 /nfs/dbraw/zinc/98/75/90/884987590.db2.gz CEPUIAAXLWJPMA-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC001326375118 885012532 /nfs/dbraw/zinc/01/25/32/885012532.db2.gz GYUGMZTYYOAGSD-BDAKNGLRSA-N 2 1 263.345 -0.135 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)c1cnn(C)c1 ZINC001326393941 885013711 /nfs/dbraw/zinc/01/37/11/885013711.db2.gz IFTZTRLFAMUOOW-ZYHUDNBSSA-N 2 1 265.361 -0.252 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)c1cnn(C)c1 ZINC001326393941 885013726 /nfs/dbraw/zinc/01/37/26/885013726.db2.gz IFTZTRLFAMUOOW-ZYHUDNBSSA-N 2 1 265.361 -0.252 20 0 CBADMP C[NH+](C)CCC(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001446460739 912891499 /nfs/dbraw/zinc/89/14/99/912891499.db2.gz FDRUBLVWIOMYJS-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1CCC[NH2+]CC1)c1cnn(C)c1 ZINC001326597874 885079917 /nfs/dbraw/zinc/07/99/17/885079917.db2.gz ISSIODUGVGOSHX-NEPJUHHUSA-N 2 1 265.361 -0.061 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@@H]1CCC[NH2+]CC1)c1cnn(C)c1 ZINC001326597879 885080938 /nfs/dbraw/zinc/08/09/38/885080938.db2.gz ISSIODUGVGOSHX-VXGBXAGGSA-N 2 1 265.361 -0.061 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001446553068 912907604 /nfs/dbraw/zinc/90/76/04/912907604.db2.gz NGICJARLRRVRDT-FZMZJTMJSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001446553068 912907619 /nfs/dbraw/zinc/90/76/19/912907619.db2.gz NGICJARLRRVRDT-FZMZJTMJSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001446553068 912907635 /nfs/dbraw/zinc/90/76/35/912907635.db2.gz NGICJARLRRVRDT-FZMZJTMJSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001446553068 912907641 /nfs/dbraw/zinc/90/76/41/912907641.db2.gz NGICJARLRRVRDT-FZMZJTMJSA-N 2 1 284.404 -0.219 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCCO)C1 ZINC001326959888 885204998 /nfs/dbraw/zinc/20/49/98/885204998.db2.gz YWHCPCYTEGRORR-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@H](C[NH2+]CCF)C1 ZINC001327063564 885241933 /nfs/dbraw/zinc/24/19/33/885241933.db2.gz LJIMARYRRPEGET-GFCCVEGCSA-N 2 1 284.335 -0.022 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H](N)CC[NH+](C)C ZINC001327448254 885358149 /nfs/dbraw/zinc/35/81/49/885358149.db2.gz FROPZCINBFHKMI-LBPRGKRZSA-N 2 1 267.377 -0.023 20 0 CBADMP C[NH+](C/C=C/C[N@@H+](C)CCC(N)=O)CCC(N)=O ZINC001327618481 885432748 /nfs/dbraw/zinc/43/27/48/885432748.db2.gz CAPNHYBNJIZIEO-ONEGZZNKSA-N 2 1 256.350 -0.843 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC[C@@H](C)[NH2+]C)CC1 ZINC001327550380 885400776 /nfs/dbraw/zinc/40/07/76/885400776.db2.gz HABGDPBRGNFNTN-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@]12COC[C@@H]1C[N@@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001327560781 885404228 /nfs/dbraw/zinc/40/42/28/885404228.db2.gz AFDTYKKKARXVGF-AAEUAGOBSA-N 2 1 253.346 -0.614 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCF ZINC001328323114 885636438 /nfs/dbraw/zinc/63/64/38/885636438.db2.gz OVRLIJYWZAJWTE-WDEREUQCSA-N 2 1 261.341 -0.229 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCF ZINC001328323114 885636445 /nfs/dbraw/zinc/63/64/45/885636445.db2.gz OVRLIJYWZAJWTE-WDEREUQCSA-N 2 1 261.341 -0.229 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001328369761 885659980 /nfs/dbraw/zinc/65/99/80/885659980.db2.gz ITBUPCCXVDWXBP-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001328401413 885672271 /nfs/dbraw/zinc/67/22/71/885672271.db2.gz YIVBGPBINVSQDM-CHWSQXEVSA-N 3 1 268.405 -0.275 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001328455024 885693123 /nfs/dbraw/zinc/69/31/23/885693123.db2.gz MVRAKQNSECWDJR-ZIAGYGMSSA-N 2 1 298.431 -0.506 20 0 CBADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001328730684 885795907 /nfs/dbraw/zinc/79/59/07/885795907.db2.gz OUDNMIRXIWNZIL-JSGCOSHPSA-N 3 1 266.389 -0.521 20 0 CBADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001328730684 885795915 /nfs/dbraw/zinc/79/59/15/885795915.db2.gz OUDNMIRXIWNZIL-JSGCOSHPSA-N 3 1 266.389 -0.521 20 0 CBADMP Cn1c[nH+]cc1CCC[NH2+][C@]1(C(N)=O)CCOC1 ZINC001329018444 885884568 /nfs/dbraw/zinc/88/45/68/885884568.db2.gz OQVVKOZAXATRNU-GFCCVEGCSA-N 2 1 252.318 -0.413 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)C12CCC[NH+]1CCC2 ZINC001329196550 885964775 /nfs/dbraw/zinc/96/47/75/885964775.db2.gz SDKDIFMVLNGUBK-GFCCVEGCSA-N 2 1 267.373 -0.202 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@]2(CO)CCC[NH+](CCCO)C2)C1 ZINC001447039221 913004916 /nfs/dbraw/zinc/00/49/16/913004916.db2.gz KFBIHJMAIIVDQI-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(CO)CCC[N@H+](CCCO)C2)C1 ZINC001447039221 913004935 /nfs/dbraw/zinc/00/49/35/913004935.db2.gz KFBIHJMAIIVDQI-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCCO)C2)C1 ZINC001447039221 913004955 /nfs/dbraw/zinc/00/49/55/913004955.db2.gz KFBIHJMAIIVDQI-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001329446830 886072811 /nfs/dbraw/zinc/07/28/11/886072811.db2.gz KJPHQVAQAJYHLF-MNOVXSKESA-N 2 1 282.388 -0.608 20 0 CBADMP Cc1[nH+]ccn1Cc1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC001329693114 886175761 /nfs/dbraw/zinc/17/57/61/886175761.db2.gz QZUKPNJWODIPOI-LBPRGKRZSA-N 2 1 262.317 -0.180 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001329838260 886233442 /nfs/dbraw/zinc/23/34/42/886233442.db2.gz OLCQNRJJJNQEIN-NWDGAFQWSA-N 2 1 298.431 -0.053 20 0 CBADMP C[NH+](C/C=C\C[N@H+](C)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC001329862248 886244495 /nfs/dbraw/zinc/24/44/95/886244495.db2.gz HUQGDDLZKDEXNE-XVGAQQEPSA-N 2 1 280.372 -0.817 20 0 CBADMP C[NH+](C/C=C\C[N@H+](C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC001329862248 886244504 /nfs/dbraw/zinc/24/45/04/886244504.db2.gz HUQGDDLZKDEXNE-XVGAQQEPSA-N 2 1 280.372 -0.817 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001330024518 886330811 /nfs/dbraw/zinc/33/08/11/886330811.db2.gz RFTDWLJVOICEBO-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)n1C ZINC001330086619 886352497 /nfs/dbraw/zinc/35/24/97/886352497.db2.gz YZNISBCPIRTMHQ-INTQDDNPSA-N 2 1 263.345 -0.290 20 0 CBADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001330196698 886384082 /nfs/dbraw/zinc/38/40/82/886384082.db2.gz AXIHLPWYKBISHI-LBPRGKRZSA-N 3 1 272.393 -0.909 20 0 CBADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001330196697 886385235 /nfs/dbraw/zinc/38/52/35/886385235.db2.gz AXIHLPWYKBISHI-GFCCVEGCSA-N 3 1 272.393 -0.909 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NCC2([NH2+]CCO)CCC2)no1 ZINC001447225579 913038169 /nfs/dbraw/zinc/03/81/69/913038169.db2.gz QMUKWJYCNYSFNQ-UHFFFAOYSA-N 2 1 296.371 -0.029 20 0 CBADMP C[C@@H](O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001330286438 886412238 /nfs/dbraw/zinc/41/22/38/886412238.db2.gz PBSJPAPWRLLJCW-SNVBAGLBSA-N 2 1 253.350 -0.376 20 0 CBADMP C[C@@H](O)C[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001447327534 913054862 /nfs/dbraw/zinc/05/48/62/913054862.db2.gz WRZBEHVJJCDSNB-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001447327534 913054878 /nfs/dbraw/zinc/05/48/78/913054878.db2.gz WRZBEHVJJCDSNB-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@@H](O)C[NH+](C)CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001447327534 913054898 /nfs/dbraw/zinc/05/48/98/913054898.db2.gz WRZBEHVJJCDSNB-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@@H](O)C[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001447327534 913054908 /nfs/dbraw/zinc/05/49/08/913054908.db2.gz WRZBEHVJJCDSNB-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)C1C[NH2+]C1 ZINC001330796429 886573044 /nfs/dbraw/zinc/57/30/44/886573044.db2.gz ZBALQHYPCLBZDI-MFKMUULPSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001330859971 886600344 /nfs/dbraw/zinc/60/03/44/886600344.db2.gz MNAYQBNRLOXFPF-AAEUAGOBSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC001330870593 886607414 /nfs/dbraw/zinc/60/74/14/886607414.db2.gz MLXYZVKGIPDGEO-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC001330870595 886608058 /nfs/dbraw/zinc/60/80/58/886608058.db2.gz MLXYZVKGIPDGEO-XQQFMLRXSA-N 2 1 296.415 -0.217 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@H]([NH3+])CCOC)CC1 ZINC001330880943 886614327 /nfs/dbraw/zinc/61/43/27/886614327.db2.gz WTOXBVASFBMALB-CYBMUJFWSA-N 2 1 286.420 -0.506 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001331052824 886659983 /nfs/dbraw/zinc/65/99/83/886659983.db2.gz KDZJKJHEWUVUKE-IVZWLZJFSA-N 2 1 250.302 -0.382 20 0 CBADMP CC[N@@H+](C)C[C@H](O)Cn1cc(COCC[NH3+])nn1 ZINC001331244708 886748693 /nfs/dbraw/zinc/74/86/93/886748693.db2.gz UYSZQRONWSDKAV-NSHDSACASA-N 2 1 257.338 -0.934 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001331319897 886773763 /nfs/dbraw/zinc/77/37/63/886773763.db2.gz QOJDJLYCGYZPMP-AXFHLTTASA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001331406931 886797717 /nfs/dbraw/zinc/79/77/17/886797717.db2.gz PICCISDWSISZES-UWVGGRQHSA-N 2 1 256.350 -0.998 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCF ZINC001331408011 886797960 /nfs/dbraw/zinc/79/79/60/886797960.db2.gz BWTWRWWZRBDEBE-MNOVXSKESA-N 2 1 261.341 -0.277 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCF ZINC001331408011 886797972 /nfs/dbraw/zinc/79/79/72/886797972.db2.gz BWTWRWWZRBDEBE-MNOVXSKESA-N 2 1 261.341 -0.277 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC001331587121 886855286 /nfs/dbraw/zinc/85/52/86/886855286.db2.gz QPELBOCRFQAZDE-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001331637480 886876681 /nfs/dbraw/zinc/87/66/81/886876681.db2.gz OENFOWRDSREVMJ-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001331637480 886876699 /nfs/dbraw/zinc/87/66/99/886876699.db2.gz OENFOWRDSREVMJ-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP COCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001331712365 886926843 /nfs/dbraw/zinc/92/68/43/886926843.db2.gz OBTQBULNFYFLGR-CHWSQXEVSA-N 2 1 287.404 -0.428 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001331756272 886959185 /nfs/dbraw/zinc/95/91/85/886959185.db2.gz QWPLBZJCWIDVTB-UHFFFAOYSA-N 2 1 279.344 -0.310 20 0 CBADMP C[NH2+]CCOCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001331756272 886959203 /nfs/dbraw/zinc/95/92/03/886959203.db2.gz QWPLBZJCWIDVTB-UHFFFAOYSA-N 2 1 279.344 -0.310 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H]2CNC(=O)C2)C1 ZINC001331791246 886986204 /nfs/dbraw/zinc/98/62/04/886986204.db2.gz MIUCLANEVZUIJN-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP COCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001331834146 887004444 /nfs/dbraw/zinc/00/44/44/887004444.db2.gz DVCPFRJDEMVLJD-VXGBXAGGSA-N 2 1 273.377 -0.959 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331857946 887016778 /nfs/dbraw/zinc/01/67/78/887016778.db2.gz OGCZFDLNSIJKBQ-HAQNSBGRSA-N 2 1 272.393 -0.009 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001447770699 913118076 /nfs/dbraw/zinc/11/80/76/913118076.db2.gz KLLFPQDOPNHGLQ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001447770699 913118059 /nfs/dbraw/zinc/11/80/59/913118059.db2.gz KLLFPQDOPNHGLQ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])CC[N@H+]1C ZINC001332235918 887165438 /nfs/dbraw/zinc/16/54/38/887165438.db2.gz RGZHMXNOXAUCAG-QWRGUYRKSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC001332287659 887183213 /nfs/dbraw/zinc/18/32/13/887183213.db2.gz MLRKJNSOKAUTKV-MXWKQRLJSA-N 2 1 282.388 -0.561 20 0 CBADMP O=C1[C@@H](N2CC[NH2+]CC[NH2+]CC2)CCN1C1CC1 ZINC001332333390 887208588 /nfs/dbraw/zinc/20/85/88/887208588.db2.gz AJKLFEIAUZARRL-LBPRGKRZSA-N 2 1 252.362 -0.756 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[NH2+]CC2)C1 ZINC001332339092 887211299 /nfs/dbraw/zinc/21/12/99/887211299.db2.gz JQKLWAZVMNFRKT-LBPRGKRZSA-N 3 1 254.378 -0.521 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[NH2+]CC2)C1 ZINC001332339092 887211317 /nfs/dbraw/zinc/21/13/17/887211317.db2.gz JQKLWAZVMNFRKT-LBPRGKRZSA-N 3 1 254.378 -0.521 20 0 CBADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H](O)COC2CCOCC2)C1 ZINC001332365429 887231463 /nfs/dbraw/zinc/23/14/63/887231463.db2.gz SLOQNPNSKGBWLM-NEPJUHHUSA-N 2 1 258.362 -0.177 20 0 CBADMP CC(C)=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001332487258 887312626 /nfs/dbraw/zinc/31/26/26/887312626.db2.gz GBFKZHKKIIXIQW-UONOGXRCSA-N 2 1 299.415 -0.308 20 0 CBADMP CC(C)=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001332487258 887312636 /nfs/dbraw/zinc/31/26/36/887312636.db2.gz GBFKZHKKIIXIQW-UONOGXRCSA-N 2 1 299.415 -0.308 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CCO)C(C)(C)C)C1 ZINC001332776438 887429402 /nfs/dbraw/zinc/42/94/02/887429402.db2.gz SXUFKPQMJGEITJ-NEPJUHHUSA-N 2 1 287.404 -0.570 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CCO)C(C)(C)C)C1 ZINC001332776438 887429409 /nfs/dbraw/zinc/42/94/09/887429409.db2.gz SXUFKPQMJGEITJ-NEPJUHHUSA-N 2 1 287.404 -0.570 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]([NH3+])C[C@@H]1C)N1CC[NH+](C)CC1 ZINC001332829712 887439973 /nfs/dbraw/zinc/43/99/73/887439973.db2.gz FQDHNGBEEIXXET-XQQFMLRXSA-N 2 1 268.405 -0.040 20 0 CBADMP Cn1ncnc1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC001332991841 887498005 /nfs/dbraw/zinc/49/80/05/887498005.db2.gz FKSGPLGETKYQAP-UHFFFAOYSA-N 2 1 266.393 -0.069 20 0 CBADMP [NH3+]C[C@H](O)CCc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC001333055327 887510961 /nfs/dbraw/zinc/51/09/61/887510961.db2.gz HIEXOPGIEALXEG-GFCCVEGCSA-N 2 1 263.301 -0.593 20 0 CBADMP COCC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001333049014 887512784 /nfs/dbraw/zinc/51/27/84/887512784.db2.gz LSVMCTOPXANOEW-WXRRBKDZSA-N 2 1 285.388 -0.458 20 0 CBADMP COCC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001333049014 887512792 /nfs/dbraw/zinc/51/27/92/887512792.db2.gz LSVMCTOPXANOEW-WXRRBKDZSA-N 2 1 285.388 -0.458 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)Cn1cc(COCC[NH3+])nn1 ZINC001333125514 887538324 /nfs/dbraw/zinc/53/83/24/887538324.db2.gz PKFGIDSTZYVIQW-GFCCVEGCSA-N 2 1 271.365 -0.546 20 0 CBADMP C[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001333338527 887601732 /nfs/dbraw/zinc/60/17/32/887601732.db2.gz PCRRTRQZEPRAEY-ZJUUUORDSA-N 2 1 251.334 -0.370 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC001333336921 887602605 /nfs/dbraw/zinc/60/26/05/887602605.db2.gz RKMJTQRXYXDWAK-QWHCGFSZSA-N 2 1 284.404 -0.754 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333407203 887623919 /nfs/dbraw/zinc/62/39/19/887623919.db2.gz UKXZGWFKDBUEQN-SDDRHHMPSA-N 2 1 284.404 -0.314 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC001333620761 887719958 /nfs/dbraw/zinc/71/99/58/887719958.db2.gz SZEMSQIONJKPRD-GMTAPVOTSA-N 2 1 256.350 -0.911 20 0 CBADMP CC[N@H+]1CCC[C@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC001333636400 887728551 /nfs/dbraw/zinc/72/85/51/887728551.db2.gz QXVUAYVJUSGPDM-GHMZBOCLSA-N 2 1 268.361 -0.062 20 0 CBADMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH+](C)CC(N)=O ZINC001448047496 913202439 /nfs/dbraw/zinc/20/24/39/913202439.db2.gz XIHHKEDLELEGMU-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH+](C)CC(N)=O ZINC001448047496 913202460 /nfs/dbraw/zinc/20/24/60/913202460.db2.gz XIHHKEDLELEGMU-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](CNC(=O)CC[C@@H]1CCC[NH+]1C)[N@H+](C)CC(N)=O ZINC001448047496 913202476 /nfs/dbraw/zinc/20/24/76/913202476.db2.gz XIHHKEDLELEGMU-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](CNC(=O)CC[C@@H]1CCC[NH+]1C)[N@@H+](C)CC(N)=O ZINC001448047496 913202496 /nfs/dbraw/zinc/20/24/96/913202496.db2.gz XIHHKEDLELEGMU-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC(=O)NC1CC1 ZINC001448093534 913216717 /nfs/dbraw/zinc/21/67/17/913216717.db2.gz YNONLSNWNDPEQL-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC(=O)NC1CC1 ZINC001448093534 913216737 /nfs/dbraw/zinc/21/67/37/913216737.db2.gz YNONLSNWNDPEQL-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC001334536642 888259090 /nfs/dbraw/zinc/25/90/90/888259090.db2.gz UCYQYFJNFSDJAN-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC001334536642 888259109 /nfs/dbraw/zinc/25/91/09/888259109.db2.gz UCYQYFJNFSDJAN-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001334762023 888312325 /nfs/dbraw/zinc/31/23/25/888312325.db2.gz CWYVZBIUHFCRHQ-SRVKXCTJSA-N 3 1 252.362 -0.770 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001334762023 888312331 /nfs/dbraw/zinc/31/23/31/888312331.db2.gz CWYVZBIUHFCRHQ-SRVKXCTJSA-N 3 1 252.362 -0.770 20 0 CBADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CCC1 ZINC001334768456 888316130 /nfs/dbraw/zinc/31/61/30/888316130.db2.gz GCSVGEPOSBCOPD-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CCC1 ZINC001334768456 888316144 /nfs/dbraw/zinc/31/61/44/888316144.db2.gz GCSVGEPOSBCOPD-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP c1ncn([C@H]2CC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC001335190600 888438531 /nfs/dbraw/zinc/43/85/31/888438531.db2.gz TUPDHLNFQQMFDY-RYUDHWBXSA-N 2 1 263.345 -0.097 20 0 CBADMP 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 888473443 /nfs/dbraw/zinc/47/34/43/888473443.db2.gz RVFYVEDWFPYHLW-BLTAXRJOSA-N 2 1 294.399 -0.750 20 0 CBADMP CC(C)OCC[C@@H](O)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC001335458565 888538310 /nfs/dbraw/zinc/53/83/10/888538310.db2.gz RHJGKLNKMBINFX-OLZOCXBDSA-N 2 1 260.378 -0.181 20 0 CBADMP CC(C)OCC[C@@H](O)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC001335458565 888538321 /nfs/dbraw/zinc/53/83/21/888538321.db2.gz RHJGKLNKMBINFX-OLZOCXBDSA-N 2 1 260.378 -0.181 20 0 CBADMP CC(C)OCC[C@H](O)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC001335458597 888539009 /nfs/dbraw/zinc/53/90/09/888539009.db2.gz RHJGKLNKMBINFX-QWHCGFSZSA-N 2 1 260.378 -0.181 20 0 CBADMP CC(C)OCC[C@H](O)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC001335458597 888539030 /nfs/dbraw/zinc/53/90/30/888539030.db2.gz RHJGKLNKMBINFX-QWHCGFSZSA-N 2 1 260.378 -0.181 20 0 CBADMP C[NH2+]CCCNC(=O)NCCCCC[NH+]1CCNCC1 ZINC001335585411 888573840 /nfs/dbraw/zinc/57/38/40/888573840.db2.gz XMOYEUDHNSGWDU-UHFFFAOYSA-N 2 1 285.436 -0.029 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCC(CO)CC1)[NH+](C)C ZINC001335688009 888602676 /nfs/dbraw/zinc/60/26/76/888602676.db2.gz BYKVHDMIUJFTQO-NSHDSACASA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC[N@H+]1C ZINC001335752322 888621908 /nfs/dbraw/zinc/62/19/08/888621908.db2.gz WXRXEISEFRYXEZ-DDHJBXDOSA-N 2 1 282.388 -0.561 20 0 CBADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)N1CCNCC[NH2+]CC1 ZINC001336094535 888692954 /nfs/dbraw/zinc/69/29/54/888692954.db2.gz KRXWLLLDQSEQSB-CQSZACIVSA-N 2 1 282.432 -0.360 20 0 CBADMP O=C(NCCCCC[NH+]1CCNCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001336192433 888716017 /nfs/dbraw/zinc/71/60/17/888716017.db2.gz HLFBTKQVKXDUTN-KBPBESRZSA-N 2 1 295.431 -0.182 20 0 CBADMP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001448323629 913277604 /nfs/dbraw/zinc/27/76/04/913277604.db2.gz XZFYRXIKWLDHBJ-WCQYABFASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1Cn2nc(C(=O)NCC(C)(C)[NH3+])cc2C[NH2+]1 ZINC001336662093 888835674 /nfs/dbraw/zinc/83/56/74/888835674.db2.gz ZSFMYDPAADUBBH-QMMMGPOBSA-N 2 1 251.334 -0.158 20 0 CBADMP O=C(CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)Nc1ccncc1 ZINC001336751449 888866086 /nfs/dbraw/zinc/86/60/86/888866086.db2.gz REDSWWFDJZKPLZ-CQSZACIVSA-N 2 1 292.383 -0.122 20 0 CBADMP O=C(CC[NH2+]C[C@H](O)C[NH+]1CCCC1)Nc1ccncc1 ZINC001336751448 888867591 /nfs/dbraw/zinc/86/75/91/888867591.db2.gz REDSWWFDJZKPLZ-AWEZNQCLSA-N 2 1 292.383 -0.122 20 0 CBADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)C2(O)CCCC2)C1 ZINC001336794250 888882440 /nfs/dbraw/zinc/88/24/40/888882440.db2.gz JFGBHWKTPWVVPO-VXGBXAGGSA-N 2 1 258.362 -0.691 20 0 CBADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)C2(O)CCCC2)C1 ZINC001336794250 888882458 /nfs/dbraw/zinc/88/24/58/888882458.db2.gz JFGBHWKTPWVVPO-VXGBXAGGSA-N 2 1 258.362 -0.691 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001336798093 888883310 /nfs/dbraw/zinc/88/33/10/888883310.db2.gz VJPVFFBRSRRQHD-GHMZBOCLSA-N 2 1 258.366 -0.528 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001336795820 888884458 /nfs/dbraw/zinc/88/44/58/888884458.db2.gz FHWBXVSNCGZRDD-ZDUSSCGKSA-N 2 1 285.436 -0.079 20 0 CBADMP C[C@H](NC(=O)N1CCNCC[NH2+]CC1)C1=CC[N@@H+](C)CC1 ZINC001336870436 888903872 /nfs/dbraw/zinc/90/38/72/888903872.db2.gz BSIWFVCRVCMLIU-ZDUSSCGKSA-N 2 1 295.431 -0.159 20 0 CBADMP [NH3+]C1CCN(CCNC(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC001336939851 888928841 /nfs/dbraw/zinc/92/88/41/888928841.db2.gz APIXQKVDMYVLAC-UHFFFAOYSA-N 2 1 295.431 -0.029 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001336964173 888937091 /nfs/dbraw/zinc/93/70/91/888937091.db2.gz GEKRUQIICLNULS-QJPTWQEYSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC001337359404 888996622 /nfs/dbraw/zinc/99/66/22/888996622.db2.gz VJWBEZWKJGIDTD-DDHJBXDOSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001337419677 889004256 /nfs/dbraw/zinc/00/42/56/889004256.db2.gz CVCVBSUXSNXXTB-OUAUKWLOSA-N 2 1 280.372 -0.713 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC001337441597 889011037 /nfs/dbraw/zinc/01/10/37/889011037.db2.gz UDIMYTVRVJJSDJ-WISYIIOYSA-N 2 1 294.399 -0.419 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001337472599 889018122 /nfs/dbraw/zinc/01/81/22/889018122.db2.gz YPANJVCNZWZBCE-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001448475624 913304796 /nfs/dbraw/zinc/30/47/96/913304796.db2.gz IGDVRYZDNXJMNV-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001448475624 913304814 /nfs/dbraw/zinc/30/48/14/913304814.db2.gz IGDVRYZDNXJMNV-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001448522376 913311565 /nfs/dbraw/zinc/31/15/65/913311565.db2.gz VOMACEZNWHMYDH-FDYHWXHSSA-N 2 1 296.415 -0.443 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC001338353630 889145834 /nfs/dbraw/zinc/14/58/34/889145834.db2.gz QKGWNABKZIDTDE-MNOVXSKESA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N3CCC[NH2+]CC3)cc2C[NH2+]1 ZINC001338369609 889148162 /nfs/dbraw/zinc/14/81/62/889148162.db2.gz SRLYWSMZDRNHTN-SNVBAGLBSA-N 2 1 263.345 -0.190 20 0 CBADMP Cc1cc(NC(=O)CC[NH2+]C[C@]2(O)CC[N@@H+](C)C2)no1 ZINC001338504614 889171157 /nfs/dbraw/zinc/17/11/57/889171157.db2.gz DZEOBXOXFIMVSB-CYBMUJFWSA-N 2 1 282.344 -0.032 20 0 CBADMP Cc1cc(NC(=O)CC[NH2+]C[C@]2(O)CC[N@H+](C)C2)no1 ZINC001338504614 889171161 /nfs/dbraw/zinc/17/11/61/889171161.db2.gz DZEOBXOXFIMVSB-CYBMUJFWSA-N 2 1 282.344 -0.032 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)NCCOCCC[NH3+])C[C@]2(C)C1 ZINC001338659252 889188618 /nfs/dbraw/zinc/18/86/18/889188618.db2.gz DZVLFRUIIZHPDU-OCCSQVGLSA-N 2 1 284.404 -0.055 20 0 CBADMP CN(C(=O)CN1CC[NH2+]CC[NH2+]CC1)c1nccs1 ZINC001339935121 889350094 /nfs/dbraw/zinc/35/00/94/889350094.db2.gz ZCXNRJTVEAETIW-UHFFFAOYSA-N 2 1 283.401 -0.399 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001340091651 889382735 /nfs/dbraw/zinc/38/27/35/889382735.db2.gz WUTAXXPTXRBFBP-RHYQMDGZSA-N 2 1 257.378 -0.198 20 0 CBADMP CN1CC[NH+](CCCNC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001340112093 889385766 /nfs/dbraw/zinc/38/57/66/889385766.db2.gz MCKDNOJWYSBPRZ-HNNXBMFYSA-N 2 1 298.431 -0.755 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC(C)([NH3+])CC1 ZINC001340147752 889395509 /nfs/dbraw/zinc/39/55/09/889395509.db2.gz OMHLBUPDNBMECE-NWDGAFQWSA-N 2 1 266.389 -0.286 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001340527631 889441710 /nfs/dbraw/zinc/44/17/10/889441710.db2.gz QVCNLSHYLFNRFA-NNYUYHANSA-N 2 1 254.378 -0.383 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001340538731 889446633 /nfs/dbraw/zinc/44/66/33/889446633.db2.gz JUAOWSJKABCAHH-CYBMUJFWSA-N 2 1 270.421 -0.016 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001340597588 889450777 /nfs/dbraw/zinc/45/07/77/889450777.db2.gz YVWHBZJNGPFKNW-WOPDTQHZSA-N 2 1 255.362 -0.171 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CC(C)(C)[NH3+] ZINC001340596153 889451699 /nfs/dbraw/zinc/45/16/99/889451699.db2.gz POYQTZPOSGDJAH-GHMZBOCLSA-N 2 1 254.378 -0.430 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001340801410 889486886 /nfs/dbraw/zinc/48/68/86/889486886.db2.gz GOYNBZFGYRGRSK-DTWKUNHWSA-N 2 1 251.334 -0.158 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001340835157 889494729 /nfs/dbraw/zinc/49/47/29/889494729.db2.gz XQDDKDNIPNUEAA-LLVKDONJSA-N 2 1 295.387 -0.317 20 0 CBADMP C[NH2+]C1CC(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001340845047 889496226 /nfs/dbraw/zinc/49/62/26/889496226.db2.gz PZDBXOOAMUDMEM-PNESKVBLSA-N 2 1 296.415 -0.312 20 0 CBADMP CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001340893935 889505700 /nfs/dbraw/zinc/50/57/00/889505700.db2.gz LWEOJSGRPJHTGE-RYUDHWBXSA-N 2 1 254.378 -0.510 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)CC[N@H+]1C ZINC001340900268 889510197 /nfs/dbraw/zinc/51/01/97/889510197.db2.gz JTPKJOYCYXTAOP-GIPNMCIBSA-N 2 1 266.345 -0.678 20 0 CBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CNCC[NH3+])C1 ZINC001340987620 889526791 /nfs/dbraw/zinc/52/67/91/889526791.db2.gz XISCRMDEFUGZFX-NEPJUHHUSA-N 2 1 254.378 -0.523 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341098975 889541832 /nfs/dbraw/zinc/54/18/32/889541832.db2.gz CEFQKEYSXDDDIF-CYBMUJFWSA-N 2 1 268.405 -0.118 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001341115470 889544822 /nfs/dbraw/zinc/54/48/22/889544822.db2.gz GKEZHPYKWJSMDA-DGCLKSJQSA-N 2 1 255.362 -0.217 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC001341354073 889579005 /nfs/dbraw/zinc/57/90/05/889579005.db2.gz PJSTZHWDQAPJPG-FRRDWIJNSA-N 2 1 266.389 -0.428 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)CN2CC[NH2+]CC2)C1 ZINC001341418095 889592180 /nfs/dbraw/zinc/59/21/80/889592180.db2.gz FNWMOTPZHVYTNI-UHFFFAOYSA-N 2 1 268.405 -0.260 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001341465247 889600961 /nfs/dbraw/zinc/60/09/61/889600961.db2.gz KHRAIWCWQCCZJU-GRYCIOLGSA-N 2 1 266.389 -0.511 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001341465248 889601168 /nfs/dbraw/zinc/60/11/68/889601168.db2.gz KHRAIWCWQCCZJU-IJLUTSLNSA-N 2 1 266.389 -0.511 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[C@H](O)C[NH2+]C ZINC001341514444 889611823 /nfs/dbraw/zinc/61/18/23/889611823.db2.gz GYICEEYUSRDESZ-IJLUTSLNSA-N 2 1 257.378 -0.197 20 0 CBADMP CN1CCN(C(=O)C23CCC(CC2)[NH2+]3)CC[N@H+](C)CC1 ZINC001341512226 889611949 /nfs/dbraw/zinc/61/19/49/889611949.db2.gz WALXBZUFYVRVGI-UHFFFAOYSA-N 2 1 280.416 -0.023 20 0 CBADMP CN1CCN(C(=O)C23CCC(CC2)[NH2+]3)CC[N@@H+](C)CC1 ZINC001341512226 889611953 /nfs/dbraw/zinc/61/19/53/889611953.db2.gz WALXBZUFYVRVGI-UHFFFAOYSA-N 2 1 280.416 -0.023 20 0 CBADMP CN1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC[N@@H+](C)CC1 ZINC001341512014 889612022 /nfs/dbraw/zinc/61/20/22/889612022.db2.gz NTLFGRFIFDDJMG-HNNXBMFYSA-N 2 1 298.431 -0.552 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC001341536575 889617866 /nfs/dbraw/zinc/61/78/66/889617866.db2.gz QDECJCCVJNADFF-WDEREUQCSA-N 2 1 255.362 -0.049 20 0 CBADMP [NH3+]CCN1CCC[C@H](C(=O)N2CC[NH+](C3CC3)CC2)C1=O ZINC001341555269 889622165 /nfs/dbraw/zinc/62/21/65/889622165.db2.gz XOQAMKTWBRAOHO-ZDUSSCGKSA-N 2 1 294.399 -0.510 20 0 CBADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]([NH3+])CO)C[C@H](C)O1 ZINC001341569864 889622936 /nfs/dbraw/zinc/62/29/36/889622936.db2.gz ADGRYJBZJYBBBA-GRYCIOLGSA-N 2 1 273.377 -0.688 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)[C@H](C)[C@@H](O)C[NH2+]C)CC1 ZINC001341645113 889639699 /nfs/dbraw/zinc/63/96/99/889639699.db2.gz KJIQMMAZUJOPJM-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)[C@H](C)[C@H](O)C[NH2+]C)CC1 ZINC001341645087 889639717 /nfs/dbraw/zinc/63/97/17/889639717.db2.gz KJIQMMAZUJOPJM-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCCn1cc[nH+]c1C ZINC001341663145 889641935 /nfs/dbraw/zinc/64/19/35/889641935.db2.gz PPIAGNHGFHYZPR-ZYHUDNBSSA-N 2 1 268.361 -0.086 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001341663205 889643586 /nfs/dbraw/zinc/64/35/86/889643586.db2.gz QDJJHQUUQPVYQI-GVXVVHGQSA-N 2 1 269.389 -0.197 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001341688774 889649827 /nfs/dbraw/zinc/64/98/27/889649827.db2.gz LCVMEWQUXRGUQA-QNWHQSFQSA-N 2 1 264.373 -0.805 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C[N@H+]1C1CC1 ZINC001341731083 889655585 /nfs/dbraw/zinc/65/55/85/889655585.db2.gz BDIMJTUIASIKJW-IHOMSZDFSA-N 2 1 267.373 -0.159 20 0 CBADMP C[NH2+][C@@H](C)C(=O)NCCCCC[NH+]1CCNCC1 ZINC001341823540 889668836 /nfs/dbraw/zinc/66/88/36/889668836.db2.gz PPLAOVAXSFFYMT-LBPRGKRZSA-N 2 1 256.394 -0.214 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001341940428 889686525 /nfs/dbraw/zinc/68/65/25/889686525.db2.gz IPKJESGEDZVFGU-SRVKXCTJSA-N 2 1 256.394 -0.265 20 0 CBADMP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001342021529 889697394 /nfs/dbraw/zinc/69/73/94/889697394.db2.gz LYPKEHUCYLSBCJ-IJLUTSLNSA-N 2 1 255.362 -0.361 20 0 CBADMP C[C@@H](NC(=O)C[NH2+]CC1CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001342036609 889702357 /nfs/dbraw/zinc/70/23/57/889702357.db2.gz QSKUNWDYAVLHDO-DGCLKSJQSA-N 2 1 268.405 -0.264 20 0 CBADMP C[NH2+]C1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCC1 ZINC001342206192 889732679 /nfs/dbraw/zinc/73/26/79/889732679.db2.gz QZGLZDVFOGXOCR-NSHDSACASA-N 2 1 282.388 -0.416 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001342222935 889733391 /nfs/dbraw/zinc/73/33/91/889733391.db2.gz ZUEUUSABBWOGKM-XQHKEYJVSA-N 2 1 266.389 -0.369 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001342303984 889750033 /nfs/dbraw/zinc/75/00/33/889750033.db2.gz XTABIKWZMFTMPA-LBPRGKRZSA-N 2 1 263.301 -0.813 20 0 CBADMP CCN(C(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C)[C@H]1CC[NH2+]C1 ZINC001342476722 889782050 /nfs/dbraw/zinc/78/20/50/889782050.db2.gz VVUWXJAMOVUPOQ-AVGNSLFASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[N@H+]1C ZINC001342571841 889795867 /nfs/dbraw/zinc/79/58/67/889795867.db2.gz YMVUHMGICRPZBA-WOPDTQHZSA-N 2 1 282.388 -0.608 20 0 CBADMP O=C(C[NH2+]C1CC1)NCCCCC[NH+]1CCNCC1 ZINC001342597362 889798738 /nfs/dbraw/zinc/79/87/38/889798738.db2.gz KIRUUEQBRCWXAL-UHFFFAOYSA-N 2 1 268.405 -0.070 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N3CCNCC[NH2+]CC3)cc2C[NH2+]1 ZINC001342615071 889801659 /nfs/dbraw/zinc/80/16/59/889801659.db2.gz LLFHKESPZUESTB-NSHDSACASA-N 2 1 292.387 -0.990 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1C ZINC001342623488 889804172 /nfs/dbraw/zinc/80/41/72/889804172.db2.gz UNUIRXPWRXPDMQ-VXGBXAGGSA-N 2 1 254.378 -0.652 20 0 CBADMP C[C@]1(C(=O)NCCCCC[NH+]2CCNCC2)C[C@H](O)C[NH2+]1 ZINC001342678225 889815719 /nfs/dbraw/zinc/81/57/19/889815719.db2.gz AKNIIUXPVKHJOA-DZGCQCFKSA-N 2 1 298.431 -0.709 20 0 CBADMP CC[NH2+]CC(=O)NCCCCC[NH+]1CCNCC1 ZINC001342687946 889816159 /nfs/dbraw/zinc/81/61/59/889816159.db2.gz PRPVUGNLEWRQLX-UHFFFAOYSA-N 2 1 256.394 -0.212 20 0 CBADMP O=C([C@@H]1CCC[NH2+]1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001342697181 889817861 /nfs/dbraw/zinc/81/78/61/889817861.db2.gz ZCILDLHYGDOCJL-YNEHKIRRSA-N 2 1 267.373 -0.204 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001342696029 889818837 /nfs/dbraw/zinc/81/88/37/889818837.db2.gz LFZABOOUMGOPJR-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)C[C@H]1C[NH3+] ZINC001342757206 889824797 /nfs/dbraw/zinc/82/47/97/889824797.db2.gz KJWWZLDWRNGWBQ-FDYHWXHSSA-N 2 1 266.389 -0.572 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001342900890 889843094 /nfs/dbraw/zinc/84/30/94/889843094.db2.gz MBXOFFNFDMAZCW-VIFPVBQESA-N 2 1 253.306 -0.711 20 0 CBADMP CN1CCN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CC[N@@H+](C)CC1 ZINC001342912421 889845927 /nfs/dbraw/zinc/84/59/27/889845927.db2.gz CSFJXQBAABBOMB-RQJABVFESA-N 2 1 280.416 -0.325 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N[C@H]3C[C@H](C[NH3+])C3)cc2C[NH2+]1 ZINC001342978015 889850588 /nfs/dbraw/zinc/85/05/88/889850588.db2.gz VVHRNQVWIFUNFE-OPRDCNLKSA-N 2 1 263.345 -0.158 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001343024471 889858435 /nfs/dbraw/zinc/85/84/35/889858435.db2.gz ASDXYVGGVLFCFJ-LBPRGKRZSA-N 2 1 272.393 -0.944 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC001343055395 889862154 /nfs/dbraw/zinc/86/21/54/889862154.db2.gz OFFHABOOWWZRNK-JTQLQIEISA-N 2 1 268.361 -0.062 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001343371673 889897020 /nfs/dbraw/zinc/89/70/20/889897020.db2.gz KVRRMFIYYYAUPC-WCQYABFASA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC001343440043 889908614 /nfs/dbraw/zinc/90/86/14/889908614.db2.gz VECHPBTVFHQNQD-WOPDTQHZSA-N 2 1 257.378 -0.339 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CCC2(CC1)NC(=O)NC2=O)C1CC1 ZINC001343484516 889918087 /nfs/dbraw/zinc/91/80/87/889918087.db2.gz UXQWKNUBAQRVED-LLVKDONJSA-N 2 1 296.371 -0.885 20 0 CBADMP CN(C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O)C1CC1 ZINC001343484516 889918103 /nfs/dbraw/zinc/91/81/03/889918103.db2.gz UXQWKNUBAQRVED-LLVKDONJSA-N 2 1 296.371 -0.885 20 0 CBADMP C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001343581619 889935958 /nfs/dbraw/zinc/93/59/58/889935958.db2.gz CPMIKFJCWBRHLM-AVGNSLFASA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001343581619 889935973 /nfs/dbraw/zinc/93/59/73/889935973.db2.gz CPMIKFJCWBRHLM-AVGNSLFASA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001343581619 889935988 /nfs/dbraw/zinc/93/59/88/889935988.db2.gz CPMIKFJCWBRHLM-AVGNSLFASA-N 2 1 268.405 -0.264 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3=NO[C@H](C[NH3+])C3)[C@H]2C1 ZINC001343592896 889937819 /nfs/dbraw/zinc/93/78/19/889937819.db2.gz SLLCZEZBCXYUSF-NAKRPEOUSA-N 2 1 266.345 -0.454 20 0 CBADMP Cc1cccc(NCCNC(=O)c2cn(CC[NH3+])nn2)[nH+]1 ZINC001343809579 889970375 /nfs/dbraw/zinc/97/03/75/889970375.db2.gz PCUXPAFQKKFUOA-UHFFFAOYSA-N 2 1 289.343 -0.218 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001344410029 890022160 /nfs/dbraw/zinc/02/21/60/890022160.db2.gz CLDKSXHJOTWNIS-BBBLOLIVSA-N 2 1 263.345 -0.064 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC(C)(C)[NH3+] ZINC001344548245 890039114 /nfs/dbraw/zinc/03/91/14/890039114.db2.gz MRZZORIOLHCULV-MNOVXSKESA-N 2 1 254.378 -0.382 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC001345152927 890104837 /nfs/dbraw/zinc/10/48/37/890104837.db2.gz HXOKNXJSALIFHL-GRYCIOLGSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC001345152927 890104841 /nfs/dbraw/zinc/10/48/41/890104841.db2.gz HXOKNXJSALIFHL-GRYCIOLGSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001345537384 890140052 /nfs/dbraw/zinc/14/00/52/890140052.db2.gz URHQUCPLTQSSGC-AAEUAGOBSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001345537387 890140419 /nfs/dbraw/zinc/14/04/19/890140419.db2.gz URHQUCPLTQSSGC-YPMHNXCESA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC[NH+]1CCCC1 ZINC001345536148 890141257 /nfs/dbraw/zinc/14/12/57/890141257.db2.gz JLJNAJHQXFVGPY-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP C[N@H+]1CCCC[C@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC001345821751 890170356 /nfs/dbraw/zinc/17/03/56/890170356.db2.gz FILFEXRNWUZNKW-UWVGGRQHSA-N 2 1 254.334 -0.310 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001346006267 890194414 /nfs/dbraw/zinc/19/44/14/890194414.db2.gz KZZNVZKEBWEPGH-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N3CC[NH2+][C@H](C)C3)cc2C[NH2+]1 ZINC001346057677 890209018 /nfs/dbraw/zinc/20/90/18/890209018.db2.gz QUYCVAPSSRXDJN-NXEZZACHSA-N 2 1 263.345 -0.191 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001346173080 890229909 /nfs/dbraw/zinc/22/99/09/890229909.db2.gz KBGFAHUHGCAOKA-KBPBESRZSA-N 2 1 298.431 -0.541 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001346173080 890229925 /nfs/dbraw/zinc/22/99/25/890229925.db2.gz KBGFAHUHGCAOKA-KBPBESRZSA-N 2 1 298.431 -0.541 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001346173080 890229943 /nfs/dbraw/zinc/22/99/43/890229943.db2.gz KBGFAHUHGCAOKA-KBPBESRZSA-N 2 1 298.431 -0.541 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@@]1(O)CCCOC1)C1CC1 ZINC001346298787 890259630 /nfs/dbraw/zinc/25/96/30/890259630.db2.gz HRXNNOYFQLJTCB-KBPBESRZSA-N 2 1 272.389 -0.037 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@@]1(O)CCCOC1)C1CC1 ZINC001346298787 890259647 /nfs/dbraw/zinc/25/96/47/890259647.db2.gz HRXNNOYFQLJTCB-KBPBESRZSA-N 2 1 272.389 -0.037 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@]1(O)CCCOC1)C1CC1 ZINC001346298790 890262162 /nfs/dbraw/zinc/26/21/62/890262162.db2.gz HRXNNOYFQLJTCB-ZIAGYGMSSA-N 2 1 272.389 -0.037 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@]1(O)CCCOC1)C1CC1 ZINC001346298790 890262179 /nfs/dbraw/zinc/26/21/79/890262179.db2.gz HRXNNOYFQLJTCB-ZIAGYGMSSA-N 2 1 272.389 -0.037 20 0 CBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCNCC[NH2+]CC1 ZINC001346326918 890266804 /nfs/dbraw/zinc/26/68/04/890266804.db2.gz UVKKAOHTKSRDMV-LBPRGKRZSA-N 2 1 281.404 -0.573 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCNCC[NH2+]CC1 ZINC001346326911 890269206 /nfs/dbraw/zinc/26/92/06/890269206.db2.gz UVKKAOHTKSRDMV-GFCCVEGCSA-N 2 1 281.404 -0.573 20 0 CBADMP OCCOCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001346504105 890306892 /nfs/dbraw/zinc/30/68/92/890306892.db2.gz JCYULEGFKJCNLF-CYBMUJFWSA-N 2 1 258.362 -0.162 20 0 CBADMP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)ncn1 ZINC001448888907 913445061 /nfs/dbraw/zinc/44/50/61/913445061.db2.gz MUJLHFBVSZZBHE-CYBMUJFWSA-N 2 1 295.387 -0.697 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001347156679 890417617 /nfs/dbraw/zinc/41/76/17/890417617.db2.gz ALLGFEMVIPUDHC-CHWSQXEVSA-N 2 1 284.404 -0.896 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC001347156682 890418220 /nfs/dbraw/zinc/41/82/20/890418220.db2.gz ALLGFEMVIPUDHC-STQMWFEESA-N 2 1 284.404 -0.896 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001347156988 890419155 /nfs/dbraw/zinc/41/91/55/890419155.db2.gz FYPJNMUYKUEDGP-WXHSDQCUSA-N 2 1 267.373 -0.049 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001448980970 913476638 /nfs/dbraw/zinc/47/66/38/913476638.db2.gz OHQOFGHFKRDJFB-PWSUYJOCSA-N 2 1 293.371 -0.483 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC001449006627 913482653 /nfs/dbraw/zinc/48/26/53/913482653.db2.gz DLRWDFASJHGPAZ-DOMZBBRYSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC001449006627 913482660 /nfs/dbraw/zinc/48/26/60/913482660.db2.gz DLRWDFASJHGPAZ-DOMZBBRYSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001449006627 913482668 /nfs/dbraw/zinc/48/26/68/913482668.db2.gz DLRWDFASJHGPAZ-DOMZBBRYSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001449006627 913482676 /nfs/dbraw/zinc/48/26/76/913482676.db2.gz DLRWDFASJHGPAZ-DOMZBBRYSA-N 2 1 296.415 -0.075 20 0 CBADMP NC(=O)C[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC001349388541 890805914 /nfs/dbraw/zinc/80/59/14/890805914.db2.gz DDPYUXHLGAAQNE-LBPRGKRZSA-N 2 1 254.378 -0.521 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001349807117 890895092 /nfs/dbraw/zinc/89/50/92/890895092.db2.gz CIZOORQJVHRFNN-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP [NH3+]Cc1ocnc1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001349815179 890899073 /nfs/dbraw/zinc/89/90/73/890899073.db2.gz GQRSOCSSKIFPCA-SSDOTTSWSA-N 2 1 260.244 -0.140 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001349994639 890921966 /nfs/dbraw/zinc/92/19/66/890921966.db2.gz LQNJYZRSIVKEQY-RWMBFGLXSA-N 2 1 296.415 -0.312 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001350047562 890929147 /nfs/dbraw/zinc/92/91/47/890929147.db2.gz VMAHIHMNNCWJEU-BETUJISGSA-N 2 1 298.431 -0.066 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001350058842 890931187 /nfs/dbraw/zinc/93/11/87/890931187.db2.gz VCDTUCSUVQORRR-TUAOUCFPSA-N 2 1 296.415 -0.171 20 0 CBADMP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001350188357 890944161 /nfs/dbraw/zinc/94/41/61/890944161.db2.gz PWFWHMZTTTYPAZ-GXTWGEPZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001350188422 890945025 /nfs/dbraw/zinc/94/50/25/890945025.db2.gz PWFWHMZTTTYPAZ-JSGCOSHPSA-N 2 1 269.389 -0.004 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC001350399631 890979004 /nfs/dbraw/zinc/97/90/04/890979004.db2.gz XREWOXYSYVZWEF-PHIMTYICSA-N 2 1 269.345 -0.698 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC001350399631 890979011 /nfs/dbraw/zinc/97/90/11/890979011.db2.gz XREWOXYSYVZWEF-PHIMTYICSA-N 2 1 269.345 -0.698 20 0 CBADMP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cnn(C)n1 ZINC001350931728 891071128 /nfs/dbraw/zinc/07/11/28/891071128.db2.gz LSOVEUADMUKQHS-JTQLQIEISA-N 2 1 253.350 -0.078 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CCC[NH+](C)C ZINC001351731689 891178780 /nfs/dbraw/zinc/17/87/80/891178780.db2.gz NDNNGORECGWPLF-QWHCGFSZSA-N 2 1 268.405 -0.215 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC001351982984 891207498 /nfs/dbraw/zinc/20/74/98/891207498.db2.gz NBFSFWCBVBNLFO-RYUDHWBXSA-N 2 1 294.399 -0.498 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H]1CC[NH+]1C ZINC001352985897 891335503 /nfs/dbraw/zinc/33/55/03/891335503.db2.gz MXGLPTPJDSORHZ-IJLUTSLNSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H]1CC[N@@H+]1C ZINC001352985897 891335516 /nfs/dbraw/zinc/33/55/16/891335516.db2.gz MXGLPTPJDSORHZ-IJLUTSLNSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H]1CC[N@H+]1C ZINC001352985897 891335533 /nfs/dbraw/zinc/33/55/33/891335533.db2.gz MXGLPTPJDSORHZ-IJLUTSLNSA-N 2 1 252.362 -0.805 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001353071356 891356899 /nfs/dbraw/zinc/35/68/99/891356899.db2.gz ITEOZJJOFNUJHO-NEPJUHHUSA-N 2 1 267.373 -0.177 20 0 CBADMP O[C@H](C[NH2+]CCNc1ncccn1)C[NH+]1CCCC1 ZINC001353246528 891387140 /nfs/dbraw/zinc/38/71/40/891387140.db2.gz KHSFWTBIOVXSDT-GFCCVEGCSA-N 2 1 265.361 -0.065 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001353341257 891408221 /nfs/dbraw/zinc/40/82/21/891408221.db2.gz SASQUHGEUCURSR-GRYCIOLGSA-N 2 1 269.393 -0.861 20 0 CBADMP CC(C)(O)[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001353496712 891437497 /nfs/dbraw/zinc/43/74/97/891437497.db2.gz TYGPKODSASPTTF-GXSJLCMTSA-N 2 1 255.362 -0.315 20 0 CBADMP C[C@H]1Cn2nc(C(=O)NCC[NH+](C)C)cc2C[NH2+]1 ZINC001353644682 891455715 /nfs/dbraw/zinc/45/57/15/891455715.db2.gz CZWBWXWIARRTKV-VIFPVBQESA-N 2 1 251.334 -0.334 20 0 CBADMP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001353729892 891467946 /nfs/dbraw/zinc/46/79/46/891467946.db2.gz VZVDOXCBHOOPFO-FVCCEPFGSA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH2+]CC2)C[C@H]1CC[NH3+] ZINC001353937201 891491694 /nfs/dbraw/zinc/49/16/94/891491694.db2.gz ZHYRXIKZKYXKAF-VXGBXAGGSA-N 3 1 254.378 -0.665 20 0 CBADMP C[C@@H]1C[N@H+](CC(=O)N2CCNCC2)C[C@H]1CC[NH3+] ZINC001353937201 891491700 /nfs/dbraw/zinc/49/17/00/891491700.db2.gz ZHYRXIKZKYXKAF-VXGBXAGGSA-N 2 1 254.378 -0.665 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCNCC2)C[C@H]1CC[NH3+] ZINC001353937201 891491710 /nfs/dbraw/zinc/49/17/10/891491710.db2.gz ZHYRXIKZKYXKAF-VXGBXAGGSA-N 2 1 254.378 -0.665 20 0 CBADMP O=C(C[N@@H+]1CCCCC[C@@H]1CO)N1CC[NH2+]CC1 ZINC001354184990 891530350 /nfs/dbraw/zinc/53/03/50/891530350.db2.gz OWHNSWJFUKOVTR-GFCCVEGCSA-N 2 1 255.362 -0.345 20 0 CBADMP C[NH2+]CCOCCNC(=O)[C@@H]1[NH2+]CCc2occc21 ZINC001354395097 891574491 /nfs/dbraw/zinc/57/44/91/891574491.db2.gz BMRWYPCZLGPWNT-GFCCVEGCSA-N 2 1 267.329 -0.181 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)C[C@H]2CCNC2=O)CC1 ZINC001354771412 891615079 /nfs/dbraw/zinc/61/50/79/891615079.db2.gz WJNWTPVIYZIZTN-SNVBAGLBSA-N 2 1 268.361 -0.948 20 0 CBADMP C[NH+](C)CC(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001354905367 891627839 /nfs/dbraw/zinc/62/78/39/891627839.db2.gz OZMGFVBVZFIAFT-ZDUSSCGKSA-N 2 1 263.345 -0.455 20 0 CBADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001449378414 913577601 /nfs/dbraw/zinc/57/76/01/913577601.db2.gz REKUNPLRKGSBTO-IKWCTNDRSA-N 2 1 296.415 -0.348 20 0 CBADMP C[C@@H](NC(=O)CC[NH2+]C1CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001356252697 891743657 /nfs/dbraw/zinc/74/36/57/891743657.db2.gz JRQRAANKDDEGDX-DGCLKSJQSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@@H](NC(=O)CC[NH2+]C1CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001356252697 891743682 /nfs/dbraw/zinc/74/36/82/891743682.db2.gz JRQRAANKDDEGDX-DGCLKSJQSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@@H](NC(=O)CC[NH2+]C1CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001356252697 891743687 /nfs/dbraw/zinc/74/36/87/891743687.db2.gz JRQRAANKDDEGDX-DGCLKSJQSA-N 2 1 268.405 -0.121 20 0 CBADMP C[N@@H+]1CCN(C(=O)C2=CCC[NH2+]CC2)[C@@H](CO)C1 ZINC001356253625 891744379 /nfs/dbraw/zinc/74/43/79/891744379.db2.gz OATGRBDVQQPCCG-GFCCVEGCSA-N 2 1 253.346 -0.569 20 0 CBADMP C[N@H+]1CCN(C(=O)C2=CCC[NH2+]CC2)[C@@H](CO)C1 ZINC001356253625 891744385 /nfs/dbraw/zinc/74/43/85/891744385.db2.gz OATGRBDVQQPCCG-GFCCVEGCSA-N 2 1 253.346 -0.569 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001356412011 891756526 /nfs/dbraw/zinc/75/65/26/891756526.db2.gz DUJXVDJFQBYECS-FIQHERPVSA-N 2 1 255.362 -0.193 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001356438509 891758991 /nfs/dbraw/zinc/75/89/91/891758991.db2.gz PPDPVMREUWOLFL-LPWJVIDDSA-N 2 1 294.399 -0.417 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[N@H+]1C ZINC001357405581 891887196 /nfs/dbraw/zinc/88/71/96/891887196.db2.gz TXHODYTZFXBJAO-UPJWGTAASA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)CC1 ZINC001357453453 891894522 /nfs/dbraw/zinc/89/45/22/891894522.db2.gz NWXXLIJOZFCLTA-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC001357572924 891914789 /nfs/dbraw/zinc/91/47/89/891914789.db2.gz MPGZPLMCTIIQLZ-CMPLNLGQSA-N 2 1 257.378 -0.245 20 0 CBADMP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC001357572929 891915039 /nfs/dbraw/zinc/91/50/39/891915039.db2.gz MPGZPLMCTIIQLZ-ZYHUDNBSSA-N 2 1 257.378 -0.245 20 0 CBADMP Cc1cccc(NCCNC(=O)C2(O)C[NH2+]C2)[nH+]1 ZINC001357736009 891933776 /nfs/dbraw/zinc/93/37/76/891933776.db2.gz PBHHYLPVYTUGII-UHFFFAOYSA-N 2 1 250.302 -0.748 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC001357989680 891954634 /nfs/dbraw/zinc/95/46/34/891954634.db2.gz BLRCPYCYGAEMGG-DVVUODLYSA-N 2 1 251.334 -0.466 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N3CCC[C@H]([NH3+])C3)cc2C[NH2+]1 ZINC001358129706 891976044 /nfs/dbraw/zinc/97/60/44/891976044.db2.gz CRSQZEKAYCIVBN-UWVGGRQHSA-N 2 1 263.345 -0.062 20 0 CBADMP C[C@@H]1[C@H](NC(=O)CO[C@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC001358187265 891980041 /nfs/dbraw/zinc/98/00/41/891980041.db2.gz VXBNCOSVLIAKCP-GRYCIOLGSA-N 2 1 255.362 -0.036 20 0 CBADMP O=C([C@H]1CC[NH2+]1)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001358178032 891980462 /nfs/dbraw/zinc/98/04/62/891980462.db2.gz VQZXOAMQBRCBLZ-MFKMUULPSA-N 2 1 261.329 -0.655 20 0 CBADMP CN1CCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CC[N@@H+](C)CC1 ZINC001358443728 892003756 /nfs/dbraw/zinc/00/37/56/892003756.db2.gz BPDKOGXJHDUMQT-ZFWWWQNUSA-N 2 1 280.416 -0.308 20 0 CBADMP [NH3+][C@@H]1C[C@H](C(=O)Nc2cc3n(n2)CC[NH2+]C3)[C@H]2C[C@H]21 ZINC001358437754 892004647 /nfs/dbraw/zinc/00/46/47/892004647.db2.gz USBKKIRSPLIXRL-ZRUFSTJUSA-N 2 1 261.329 -0.092 20 0 CBADMP CN1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC[N@H+](C)CC1 ZINC001358443864 892009276 /nfs/dbraw/zinc/00/92/76/892009276.db2.gz FMCJHFYAXZYOJD-LBPRGKRZSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC[N@@H+](C)CC1 ZINC001358443864 892009292 /nfs/dbraw/zinc/00/92/92/892009292.db2.gz FMCJHFYAXZYOJD-LBPRGKRZSA-N 2 1 268.405 -0.310 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)[C@@H]2CCC[C@H]2O)C1 ZINC001362164970 892476703 /nfs/dbraw/zinc/47/67/03/892476703.db2.gz JSLXXIFWNRTVMQ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1 ZINC001362164970 892476711 /nfs/dbraw/zinc/47/67/11/892476711.db2.gz JSLXXIFWNRTVMQ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1 ZINC001362164970 892476716 /nfs/dbraw/zinc/47/67/16/892476716.db2.gz JSLXXIFWNRTVMQ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)[C@@H]1CCC[C@H]1O ZINC001362913931 893164909 /nfs/dbraw/zinc/16/49/09/893164909.db2.gz AZYHLAWAVGGASO-YIYPIFLZSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+](CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)[C@@H]1CCC[C@H]1O ZINC001362913931 893164918 /nfs/dbraw/zinc/16/49/18/893164918.db2.gz AZYHLAWAVGGASO-YIYPIFLZSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+](CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)[C@@H]1CCC[C@H]1O ZINC001362913931 893164926 /nfs/dbraw/zinc/16/49/26/893164926.db2.gz AZYHLAWAVGGASO-YIYPIFLZSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1CCN(CC2CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001362926948 893177890 /nfs/dbraw/zinc/17/78/90/893177890.db2.gz RTTDMKDHGHLTOQ-UHFFFAOYSA-N 2 1 292.427 -0.212 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H](F)C1)N[C@@H](CO)C[NH+]1CCCC1 ZINC001362963577 893207924 /nfs/dbraw/zinc/20/79/24/893207924.db2.gz UGIQTGSBLPGUAN-CHWSQXEVSA-N 2 1 287.379 -0.007 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001362990579 893239066 /nfs/dbraw/zinc/23/90/66/893239066.db2.gz KWVQPSBGIZUHFT-WCQYABFASA-N 2 1 283.372 -0.704 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001362990579 893239088 /nfs/dbraw/zinc/23/90/88/893239088.db2.gz KWVQPSBGIZUHFT-WCQYABFASA-N 2 1 283.372 -0.704 20 0 CBADMP O[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CC1(O)CCOCC1 ZINC001363200367 893449830 /nfs/dbraw/zinc/44/98/30/893449830.db2.gz PZVTYCQWDHCNQQ-FRRDWIJNSA-N 2 1 270.373 -0.570 20 0 CBADMP CC(=O)N[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001363260416 893502624 /nfs/dbraw/zinc/50/26/24/893502624.db2.gz VZAGDXRYAKQVAZ-CYBMUJFWSA-N 2 1 282.388 -0.639 20 0 CBADMP CC(=O)N[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001363260416 893502636 /nfs/dbraw/zinc/50/26/36/893502636.db2.gz VZAGDXRYAKQVAZ-CYBMUJFWSA-N 2 1 282.388 -0.639 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001363489952 893731256 /nfs/dbraw/zinc/73/12/56/893731256.db2.gz KVUISDMNDXHYSN-DZGCQCFKSA-N 2 1 297.399 -0.579 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC([NH2+]C3CCOCC3)C2)C1 ZINC001363581506 893818960 /nfs/dbraw/zinc/81/89/60/893818960.db2.gz CMMHHYCWBCTZST-CYBMUJFWSA-N 2 1 283.372 -0.704 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CC([NH2+]C3CCOCC3)C2)C1 ZINC001363581506 893818977 /nfs/dbraw/zinc/81/89/77/893818977.db2.gz CMMHHYCWBCTZST-CYBMUJFWSA-N 2 1 283.372 -0.704 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001365121586 894767931 /nfs/dbraw/zinc/76/79/31/894767931.db2.gz LXMIMFNODUEYAH-GUTXKFCHSA-N 2 1 281.400 -0.101 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001365305728 894885647 /nfs/dbraw/zinc/88/56/47/894885647.db2.gz NTOIYOIXHBSBRS-GXTWGEPZSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001365305728 894885658 /nfs/dbraw/zinc/88/56/58/894885658.db2.gz NTOIYOIXHBSBRS-GXTWGEPZSA-N 2 1 299.415 -0.740 20 0 CBADMP CN(CCC[N@@H+](C)C[C@@H](O)C(C)(C)O)CC[NH+](C)C ZINC001365305413 894885850 /nfs/dbraw/zinc/88/58/50/894885850.db2.gz VJFYUZIPCWNPJS-CYBMUJFWSA-N 2 1 275.437 -0.067 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001365833528 895131892 /nfs/dbraw/zinc/13/18/92/895131892.db2.gz ITPHIHPJOXGWTJ-IJLUTSLNSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001365909037 895139155 /nfs/dbraw/zinc/13/91/55/895139155.db2.gz JDODGVYBSYCODZ-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001365909037 895139161 /nfs/dbraw/zinc/13/91/61/895139161.db2.gz JDODGVYBSYCODZ-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001365909037 895139166 /nfs/dbraw/zinc/13/91/66/895139166.db2.gz JDODGVYBSYCODZ-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001365909037 895139171 /nfs/dbraw/zinc/13/91/71/895139171.db2.gz JDODGVYBSYCODZ-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001365952988 895148944 /nfs/dbraw/zinc/14/89/44/895148944.db2.gz AULPNJNRJZYGRE-KGLIPLIRSA-N 2 1 298.431 -0.805 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001365952993 895150211 /nfs/dbraw/zinc/15/02/11/895150211.db2.gz AULPNJNRJZYGRE-ZIAGYGMSSA-N 2 1 298.431 -0.805 20 0 CBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001365993193 895166693 /nfs/dbraw/zinc/16/66/93/895166693.db2.gz VHADYKGRERDCDJ-NWDGAFQWSA-N 2 1 275.368 -0.151 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366073000 895181596 /nfs/dbraw/zinc/18/15/96/895181596.db2.gz DSVCPHXUJUVEJL-QWHCGFSZSA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001366073000 895181604 /nfs/dbraw/zinc/18/16/04/895181604.db2.gz DSVCPHXUJUVEJL-QWHCGFSZSA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366073000 895181612 /nfs/dbraw/zinc/18/16/12/895181612.db2.gz DSVCPHXUJUVEJL-QWHCGFSZSA-N 2 1 296.415 -0.406 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001366103528 895190579 /nfs/dbraw/zinc/19/05/79/895190579.db2.gz ISGQVJBKYGKZDB-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001366131062 895201397 /nfs/dbraw/zinc/20/13/97/895201397.db2.gz GCRDZPKAOJQRLE-AAVRWANBSA-N 2 1 299.415 -0.428 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001366154180 895209869 /nfs/dbraw/zinc/20/98/69/895209869.db2.gz HRHBEGOPHODQAL-ZDEQEGDKSA-N 2 1 296.415 -0.301 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001366147574 895210464 /nfs/dbraw/zinc/21/04/64/895210464.db2.gz FNCOZKHPFBLCKE-MBNYWOFBSA-N 2 1 299.415 -0.285 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366165335 895212419 /nfs/dbraw/zinc/21/24/19/895212419.db2.gz NSQPVGBBYIEMFO-UPJWGTAASA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001366334103 895280367 /nfs/dbraw/zinc/28/03/67/895280367.db2.gz LMZNPQONFNGCJB-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[C@@H]([NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001366357666 895288408 /nfs/dbraw/zinc/28/84/08/895288408.db2.gz MFTHUDANQQWPHH-MWLCHTKSSA-N 2 1 281.360 -0.450 20 0 CBADMP CCn1ncnc1C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001366358055 895289498 /nfs/dbraw/zinc/28/94/98/895289498.db2.gz MYXFTEVXFFVWHJ-GFCCVEGCSA-N 2 1 294.403 -0.012 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001366388296 895304672 /nfs/dbraw/zinc/30/46/72/895304672.db2.gz AEBWJDDEJQNQLX-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1 ZINC001366388276 895305643 /nfs/dbraw/zinc/30/56/43/895305643.db2.gz ABFFWKQNXKFANK-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001366387072 895306906 /nfs/dbraw/zinc/30/69/06/895306906.db2.gz DLQDMYADVOPOAN-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001366411626 895313652 /nfs/dbraw/zinc/31/36/52/895313652.db2.gz MHLNQLZIFMOLIP-VXGBXAGGSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001366439304 895320635 /nfs/dbraw/zinc/32/06/35/895320635.db2.gz HSHUVSNVFIVGJP-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001366439304 895320649 /nfs/dbraw/zinc/32/06/49/895320649.db2.gz HSHUVSNVFIVGJP-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001366539297 895361354 /nfs/dbraw/zinc/36/13/54/895361354.db2.gz ZGFOLCGKKTXWHX-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001366539297 895361371 /nfs/dbraw/zinc/36/13/71/895361371.db2.gz ZGFOLCGKKTXWHX-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)[C@H]2CCNC2=O)C1 ZINC001366565733 895383206 /nfs/dbraw/zinc/38/32/06/895383206.db2.gz LMCWEKOFOQDWHY-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)[C@H]2CCNC2=O)C1 ZINC001366565733 895383222 /nfs/dbraw/zinc/38/32/22/895383222.db2.gz LMCWEKOFOQDWHY-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001366565733 895383231 /nfs/dbraw/zinc/38/32/31/895383231.db2.gz LMCWEKOFOQDWHY-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001366565733 895383251 /nfs/dbraw/zinc/38/32/51/895383251.db2.gz LMCWEKOFOQDWHY-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001366584958 895395736 /nfs/dbraw/zinc/39/57/36/895395736.db2.gz CZIQIXHJPWDUHL-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001366584958 895395752 /nfs/dbraw/zinc/39/57/52/895395752.db2.gz CZIQIXHJPWDUHL-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)CCn1cncn1)[NH+](C)C ZINC001366583180 895397292 /nfs/dbraw/zinc/39/72/92/895397292.db2.gz BYBIVEQAKPUSPV-CYBMUJFWSA-N 2 1 296.419 -0.088 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001366598603 895401661 /nfs/dbraw/zinc/40/16/61/895401661.db2.gz XFHMQJRFDYDAMI-LLVKDONJSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001366598603 895401668 /nfs/dbraw/zinc/40/16/68/895401668.db2.gz XFHMQJRFDYDAMI-LLVKDONJSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001366598603 895401677 /nfs/dbraw/zinc/40/16/77/895401677.db2.gz XFHMQJRFDYDAMI-LLVKDONJSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001366598603 895401683 /nfs/dbraw/zinc/40/16/83/895401683.db2.gz XFHMQJRFDYDAMI-LLVKDONJSA-N 2 1 272.393 -0.362 20 0 CBADMP CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001366592932 895402695 /nfs/dbraw/zinc/40/26/95/895402695.db2.gz OTDNKWTYBJGRID-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001366592932 895402701 /nfs/dbraw/zinc/40/27/01/895402701.db2.gz OTDNKWTYBJGRID-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001366592932 895402706 /nfs/dbraw/zinc/40/27/06/895402706.db2.gz OTDNKWTYBJGRID-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001366592932 895402711 /nfs/dbraw/zinc/40/27/11/895402711.db2.gz OTDNKWTYBJGRID-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@H](C)C(=O)NC ZINC001366628576 895414015 /nfs/dbraw/zinc/41/40/15/895414015.db2.gz MHCRNAZUWKITEY-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@H](C)C(=O)NC ZINC001366628576 895414027 /nfs/dbraw/zinc/41/40/27/895414027.db2.gz MHCRNAZUWKITEY-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H](C)C(=O)NC ZINC001366628576 895414036 /nfs/dbraw/zinc/41/40/36/895414036.db2.gz MHCRNAZUWKITEY-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@H](C)C(=O)NC ZINC001366628576 895414047 /nfs/dbraw/zinc/41/40/47/895414047.db2.gz MHCRNAZUWKITEY-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@@H](C)C(=O)NC ZINC001366628577 895414810 /nfs/dbraw/zinc/41/48/10/895414810.db2.gz MHCRNAZUWKITEY-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@@H](C)C(=O)NC ZINC001366628577 895414816 /nfs/dbraw/zinc/41/48/16/895414816.db2.gz MHCRNAZUWKITEY-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H](C)C(=O)NC ZINC001366628577 895414821 /nfs/dbraw/zinc/41/48/21/895414821.db2.gz MHCRNAZUWKITEY-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H](C)C(=O)NC ZINC001366628577 895414825 /nfs/dbraw/zinc/41/48/25/895414825.db2.gz MHCRNAZUWKITEY-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC(C)C ZINC001366641347 895416150 /nfs/dbraw/zinc/41/61/50/895416150.db2.gz SGYWJPWBYYUJSW-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC(C)C ZINC001366641347 895416163 /nfs/dbraw/zinc/41/61/63/895416163.db2.gz SGYWJPWBYYUJSW-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NC(C)C ZINC001366641347 895416175 /nfs/dbraw/zinc/41/61/75/895416175.db2.gz SGYWJPWBYYUJSW-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NC(C)C ZINC001366641347 895416183 /nfs/dbraw/zinc/41/61/83/895416183.db2.gz SGYWJPWBYYUJSW-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)Cn1ccnc1 ZINC001366674924 895427558 /nfs/dbraw/zinc/42/75/58/895427558.db2.gz GBBQYDHFCTVUBJ-QWRGUYRKSA-N 2 1 279.344 -0.663 20 0 CBADMP C[C@H](C(N)=O)[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001366741557 895444853 /nfs/dbraw/zinc/44/48/53/895444853.db2.gz HZLQHECHFUKSJG-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001366741557 895444863 /nfs/dbraw/zinc/44/48/63/895444863.db2.gz HZLQHECHFUKSJG-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001366741557 895444869 /nfs/dbraw/zinc/44/48/69/895444869.db2.gz HZLQHECHFUKSJG-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001366741557 895444874 /nfs/dbraw/zinc/44/48/74/895444874.db2.gz HZLQHECHFUKSJG-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP O=C(NCC[N@H+](CCO)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001366746953 895448182 /nfs/dbraw/zinc/44/81/82/895448182.db2.gz SPPCLWNKIGJKIJ-AWEZNQCLSA-N 2 1 281.400 -0.099 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)C1=O ZINC001366775062 895456305 /nfs/dbraw/zinc/45/63/05/895456305.db2.gz MACVSHZZPUGRKW-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001366779044 895460996 /nfs/dbraw/zinc/46/09/96/895460996.db2.gz QRVVWMXKYCZMMJ-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP COC[C@H](C)N1CC(NC(=O)[C@H](C)CN2CCOCC2)C1 ZINC001366948576 895498122 /nfs/dbraw/zinc/49/81/22/895498122.db2.gz KAHGIVDVCOCXOY-OLZOCXBDSA-N 2 1 299.415 -0.210 20 0 CBADMP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001366974287 895513146 /nfs/dbraw/zinc/51/31/46/895513146.db2.gz QEMGQOVYAVUXKC-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001366983893 895515407 /nfs/dbraw/zinc/51/54/07/895515407.db2.gz YRKSHGAHMZHHJP-VXGBXAGGSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001366983893 895515413 /nfs/dbraw/zinc/51/54/13/895515413.db2.gz YRKSHGAHMZHHJP-VXGBXAGGSA-N 2 1 296.415 -0.489 20 0 CBADMP O=C(C[NH+]1CCCC1)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001366988274 895517097 /nfs/dbraw/zinc/51/70/97/895517097.db2.gz IGYZBIOXPHVRKG-ZDUSSCGKSA-N 2 1 294.399 -0.591 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001367015378 895530949 /nfs/dbraw/zinc/53/09/49/895530949.db2.gz BRODZRFFZHFDGE-IHRRRGAJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001367015378 895530963 /nfs/dbraw/zinc/53/09/63/895530963.db2.gz BRODZRFFZHFDGE-IHRRRGAJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001367015378 895530971 /nfs/dbraw/zinc/53/09/71/895530971.db2.gz BRODZRFFZHFDGE-IHRRRGAJSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001367045226 895545306 /nfs/dbraw/zinc/54/53/06/895545306.db2.gz DDXYUTQXZLWMLO-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001367045226 895545314 /nfs/dbraw/zinc/54/53/14/895545314.db2.gz DDXYUTQXZLWMLO-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001367058453 895548418 /nfs/dbraw/zinc/54/84/18/895548418.db2.gz BZDKNJDRKVSWIS-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001367058453 895548425 /nfs/dbraw/zinc/54/84/25/895548425.db2.gz BZDKNJDRKVSWIS-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001367058453 895548431 /nfs/dbraw/zinc/54/84/31/895548431.db2.gz BZDKNJDRKVSWIS-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001367058453 895548436 /nfs/dbraw/zinc/54/84/36/895548436.db2.gz BZDKNJDRKVSWIS-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001367060009 895555190 /nfs/dbraw/zinc/55/51/90/895555190.db2.gz CZIWHQDOWZMGGM-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001367060009 895555206 /nfs/dbraw/zinc/55/52/06/895555206.db2.gz CZIWHQDOWZMGGM-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001367060009 895555222 /nfs/dbraw/zinc/55/52/22/895555222.db2.gz CZIWHQDOWZMGGM-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001367060009 895555239 /nfs/dbraw/zinc/55/52/39/895555239.db2.gz CZIWHQDOWZMGGM-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NC ZINC001367106305 895565503 /nfs/dbraw/zinc/56/55/03/895565503.db2.gz SGOPRTVOIYDJPI-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001367140986 895575532 /nfs/dbraw/zinc/57/55/32/895575532.db2.gz OMORALKWSHWAAI-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001367145814 895578402 /nfs/dbraw/zinc/57/84/02/895578402.db2.gz YLPMQGJLRDYQGJ-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001367145814 895578410 /nfs/dbraw/zinc/57/84/10/895578410.db2.gz YLPMQGJLRDYQGJ-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001367227507 895584500 /nfs/dbraw/zinc/58/45/00/895584500.db2.gz SRIXQMFPMPIASN-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001367281795 895601684 /nfs/dbraw/zinc/60/16/84/895601684.db2.gz AMQIPHLXOGNACZ-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367278395 895603053 /nfs/dbraw/zinc/60/30/53/895603053.db2.gz UXIKINMNWABVNK-WDEREUQCSA-N 2 1 270.377 -0.832 20 0 CBADMP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367409494 895631352 /nfs/dbraw/zinc/63/13/52/895631352.db2.gz CCMQPIAPEGAGRP-VXGBXAGGSA-N 2 1 284.404 -0.314 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001367407913 895633656 /nfs/dbraw/zinc/63/36/56/895633656.db2.gz SUNSXLVAMGDFMM-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001367416946 895635293 /nfs/dbraw/zinc/63/52/93/895635293.db2.gz SFWKXLXXQARAHM-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001367451825 895639806 /nfs/dbraw/zinc/63/98/06/895639806.db2.gz VIDCVEJIQDESLY-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001367492070 895643356 /nfs/dbraw/zinc/64/33/56/895643356.db2.gz LVHVVNQBVFFHNO-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001367492090 895643439 /nfs/dbraw/zinc/64/34/39/895643439.db2.gz LVHVVNQBVFFHNO-STQMWFEESA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001367509270 895647861 /nfs/dbraw/zinc/64/78/61/895647861.db2.gz FXDQPTKERRFXSH-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001367509270 895647864 /nfs/dbraw/zinc/64/78/64/895647864.db2.gz FXDQPTKERRFXSH-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367509270 895647868 /nfs/dbraw/zinc/64/78/68/895647868.db2.gz FXDQPTKERRFXSH-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001367509270 895647872 /nfs/dbraw/zinc/64/78/72/895647872.db2.gz FXDQPTKERRFXSH-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001367536532 895655970 /nfs/dbraw/zinc/65/59/70/895655970.db2.gz RFMSRNMIGBAVTR-LLVKDONJSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001367536532 895655975 /nfs/dbraw/zinc/65/59/75/895655975.db2.gz RFMSRNMIGBAVTR-LLVKDONJSA-N 2 1 284.404 -0.408 20 0 CBADMP Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367588587 895688064 /nfs/dbraw/zinc/68/80/64/895688064.db2.gz XTDNZUVMHHFCRU-NWDGAFQWSA-N 2 1 295.387 -0.919 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367688778 895742350 /nfs/dbraw/zinc/74/23/50/895742350.db2.gz HMOUAQVMXPNZLQ-VXGBXAGGSA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367688778 895742364 /nfs/dbraw/zinc/74/23/64/895742364.db2.gz HMOUAQVMXPNZLQ-VXGBXAGGSA-N 2 1 294.403 -0.014 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nncn1C ZINC001367766146 895796412 /nfs/dbraw/zinc/79/64/12/895796412.db2.gz MXVBKRCUMNUABA-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nncn1C ZINC001367766146 895796428 /nfs/dbraw/zinc/79/64/28/895796428.db2.gz MXVBKRCUMNUABA-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001367765131 895797432 /nfs/dbraw/zinc/79/74/32/895797432.db2.gz MFUDWVFWKLUQGK-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001367775874 895800309 /nfs/dbraw/zinc/80/03/09/895800309.db2.gz JFQXHAZMVKGBMK-WDEREUQCSA-N 2 1 272.393 -0.445 20 0 CBADMP C[N@@H+](CC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1)CC(C)(C)C ZINC001367900609 895850163 /nfs/dbraw/zinc/85/01/63/895850163.db2.gz LHRTZPMCSJMAFT-GFCCVEGCSA-N 2 1 298.431 -0.066 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367922316 895852676 /nfs/dbraw/zinc/85/26/76/895852676.db2.gz UIQHARNKNFJUSZ-QWHCGFSZSA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)OCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001367936935 895857557 /nfs/dbraw/zinc/85/75/57/895857557.db2.gz OTASIGFNOBROJW-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)OCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001367936935 895857566 /nfs/dbraw/zinc/85/75/66/895857566.db2.gz OTASIGFNOBROJW-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001367985346 895881157 /nfs/dbraw/zinc/88/11/57/895881157.db2.gz SLPYHRRHUMRGFX-CHWSQXEVSA-N 2 1 297.399 -0.720 20 0 CBADMP C[N@@H+](CC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1)C1CCC1 ZINC001368002251 895887330 /nfs/dbraw/zinc/88/73/30/895887330.db2.gz FVDYWZQPKGWHMP-GFCCVEGCSA-N 2 1 294.399 -0.402 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001368004647 895889736 /nfs/dbraw/zinc/88/97/36/895889736.db2.gz ARRJVZLCVZVUFE-LBPRGKRZSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1)C(N)=O ZINC001368014755 895892976 /nfs/dbraw/zinc/89/29/76/895892976.db2.gz QANVARBVSPEZOS-RYUDHWBXSA-N 2 1 296.415 -0.027 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001368064494 895900397 /nfs/dbraw/zinc/90/03/97/895900397.db2.gz NFFHVBXFUFMKIZ-HNNXBMFYSA-N 2 1 296.415 -0.392 20 0 CBADMP Cn1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001368111224 895916380 /nfs/dbraw/zinc/91/63/80/895916380.db2.gz UNEWARBTNWMXQE-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001368152851 895925012 /nfs/dbraw/zinc/92/50/12/895925012.db2.gz LFMXHJGHTACNKT-ABAIWWIYSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001368152851 895925022 /nfs/dbraw/zinc/92/50/22/895925022.db2.gz LFMXHJGHTACNKT-ABAIWWIYSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001368152851 895925032 /nfs/dbraw/zinc/92/50/32/895925032.db2.gz LFMXHJGHTACNKT-ABAIWWIYSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001368152851 895925044 /nfs/dbraw/zinc/92/50/44/895925044.db2.gz LFMXHJGHTACNKT-ABAIWWIYSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001368152855 895925198 /nfs/dbraw/zinc/92/51/98/895925198.db2.gz LFMXHJGHTACNKT-NHYWBVRUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001368152855 895925209 /nfs/dbraw/zinc/92/52/09/895925209.db2.gz LFMXHJGHTACNKT-NHYWBVRUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001368152855 895925218 /nfs/dbraw/zinc/92/52/18/895925218.db2.gz LFMXHJGHTACNKT-NHYWBVRUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001368152855 895925226 /nfs/dbraw/zinc/92/52/26/895925226.db2.gz LFMXHJGHTACNKT-NHYWBVRUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](CCF)C2)CC1 ZINC001368264660 895955820 /nfs/dbraw/zinc/95/58/20/895955820.db2.gz PELUYZOWIXBOLR-CQSZACIVSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)CC1 ZINC001368264660 895955835 /nfs/dbraw/zinc/95/58/35/895955835.db2.gz PELUYZOWIXBOLR-CQSZACIVSA-N 2 1 287.379 -0.149 20 0 CBADMP CC[C@@H](C(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1)[NH+](C)C ZINC001368318378 895980215 /nfs/dbraw/zinc/98/02/15/895980215.db2.gz GJUXXRCVSSMHNS-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001368407476 896003271 /nfs/dbraw/zinc/00/32/71/896003271.db2.gz VJXUZOWDQSYVCY-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001368407476 896003279 /nfs/dbraw/zinc/00/32/79/896003279.db2.gz VJXUZOWDQSYVCY-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001368407476 896003287 /nfs/dbraw/zinc/00/32/87/896003287.db2.gz VJXUZOWDQSYVCY-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001368471701 896017574 /nfs/dbraw/zinc/01/75/74/896017574.db2.gz YZXAVUYYRUGDCG-MQYQWHSLSA-N 2 1 299.415 -0.164 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001368471701 896017584 /nfs/dbraw/zinc/01/75/84/896017584.db2.gz YZXAVUYYRUGDCG-MQYQWHSLSA-N 2 1 299.415 -0.164 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001368521192 896026661 /nfs/dbraw/zinc/02/66/61/896026661.db2.gz KBIRWIPMIZSFRM-XQHKEYJVSA-N 2 1 296.415 -0.314 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001368570571 896038001 /nfs/dbraw/zinc/03/80/01/896038001.db2.gz IEQCQXRLVUWRJB-SRVKXCTJSA-N 2 1 293.371 -0.450 20 0 CBADMP C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1[NH2+]CC(N)=O ZINC001368654810 896054931 /nfs/dbraw/zinc/05/49/31/896054931.db2.gz NQZBWRUPQJRRJC-RYUDHWBXSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1[NH2+]CC(N)=O ZINC001368654079 896055865 /nfs/dbraw/zinc/05/58/65/896055865.db2.gz NQZBWRUPQJRRJC-NEPJUHHUSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001368743719 896070915 /nfs/dbraw/zinc/07/09/15/896070915.db2.gz OJJRTKKHPFPIOX-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CC(N)=O ZINC001368809818 896088785 /nfs/dbraw/zinc/08/87/85/896088785.db2.gz JNBPHSWPSVMWQG-GFCCVEGCSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CC(N)=O ZINC001368809818 896088799 /nfs/dbraw/zinc/08/87/99/896088799.db2.gz JNBPHSWPSVMWQG-GFCCVEGCSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O ZINC001368809818 896088814 /nfs/dbraw/zinc/08/88/14/896088814.db2.gz JNBPHSWPSVMWQG-GFCCVEGCSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O ZINC001368809818 896088828 /nfs/dbraw/zinc/08/88/28/896088828.db2.gz JNBPHSWPSVMWQG-GFCCVEGCSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)[NH+](C)C ZINC001368959152 896124587 /nfs/dbraw/zinc/12/45/87/896124587.db2.gz IYOVSPKIRKAZNA-PWSUYJOCSA-N 2 1 272.393 -0.506 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001368959152 896124596 /nfs/dbraw/zinc/12/45/96/896124596.db2.gz IYOVSPKIRKAZNA-PWSUYJOCSA-N 2 1 272.393 -0.506 20 0 CBADMP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001368971110 896124701 /nfs/dbraw/zinc/12/47/01/896124701.db2.gz CQMPEZUXUWYVNH-WCQYABFASA-N 2 1 296.415 -0.347 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001369011262 896136815 /nfs/dbraw/zinc/13/68/15/896136815.db2.gz VUKWGBPJWUBNRG-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001369011262 896136820 /nfs/dbraw/zinc/13/68/20/896136820.db2.gz VUKWGBPJWUBNRG-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[NH+](C)CCC(=O)NC1(CCO)C[NH+](CCCF)C1 ZINC001369026972 896139284 /nfs/dbraw/zinc/13/92/84/896139284.db2.gz AIWZBBSWPMSLRM-UHFFFAOYSA-N 2 1 275.368 -0.149 20 0 CBADMP CNC(=O)C[NH2+][C@H](CCNC(=O)Cc1cnc[nH]1)C(C)C ZINC001369194175 896168075 /nfs/dbraw/zinc/16/80/75/896168075.db2.gz HKGAGSODQKLGRD-GFCCVEGCSA-N 2 1 295.387 -0.181 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001369299849 896190532 /nfs/dbraw/zinc/19/05/32/896190532.db2.gz CGZFTDUUBCHLCR-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001369303469 896194317 /nfs/dbraw/zinc/19/43/17/896194317.db2.gz JSKFNRLKKJDKRU-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001369303469 896194320 /nfs/dbraw/zinc/19/43/20/896194320.db2.gz JSKFNRLKKJDKRU-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001369316643 896206520 /nfs/dbraw/zinc/20/65/20/896206520.db2.gz XMAXKDPVCIERST-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001369331046 896218925 /nfs/dbraw/zinc/21/89/25/896218925.db2.gz DWAYHUUXFSHBEH-NWDGAFQWSA-N 2 1 275.368 -0.105 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001369331043 896219902 /nfs/dbraw/zinc/21/99/02/896219902.db2.gz DWAYHUUXFSHBEH-NEPJUHHUSA-N 2 1 275.368 -0.105 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1conc1C)[NH+](C)C ZINC001369364146 896241112 /nfs/dbraw/zinc/24/11/12/896241112.db2.gz NACDLTDOYOGQHY-OLZOCXBDSA-N 2 1 298.387 -0.110 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCC(F)(F)F)C1 ZINC001369386260 896250964 /nfs/dbraw/zinc/25/09/64/896250964.db2.gz SHCAYRATGBYEQR-VHSXEESVSA-N 2 1 297.321 -0.043 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCC(F)(F)F)C1 ZINC001369386250 896251152 /nfs/dbraw/zinc/25/11/52/896251152.db2.gz SHCAYRATGBYEQR-NXEZZACHSA-N 2 1 297.321 -0.043 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]C(C)C)C1 ZINC001369493619 896293928 /nfs/dbraw/zinc/29/39/28/896293928.db2.gz YHUQPLTYOWQEEH-QWHCGFSZSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]C(C)C)C1 ZINC001369493619 896293941 /nfs/dbraw/zinc/29/39/41/896293941.db2.gz YHUQPLTYOWQEEH-QWHCGFSZSA-N 2 1 287.404 -0.476 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001369516864 896308138 /nfs/dbraw/zinc/30/81/38/896308138.db2.gz TZOLOEOHCFUXGS-OLZOCXBDSA-N 2 1 287.404 -0.928 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369516864 896308154 /nfs/dbraw/zinc/30/81/54/896308154.db2.gz TZOLOEOHCFUXGS-OLZOCXBDSA-N 2 1 287.404 -0.928 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369516864 896308170 /nfs/dbraw/zinc/30/81/70/896308170.db2.gz TZOLOEOHCFUXGS-OLZOCXBDSA-N 2 1 287.404 -0.928 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001369624706 896324998 /nfs/dbraw/zinc/32/49/98/896324998.db2.gz UVOKUENSBAOECO-BPCQOVAHSA-N 2 1 296.415 -0.206 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001370179527 896407519 /nfs/dbraw/zinc/40/75/19/896407519.db2.gz CHJZVKNGTDRGOQ-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001370230156 896413341 /nfs/dbraw/zinc/41/33/41/896413341.db2.gz VBIZRZXYQYGGKK-PWSUYJOCSA-N 2 1 282.388 -0.702 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001370676727 896476145 /nfs/dbraw/zinc/47/61/45/896476145.db2.gz JQIFXXMFYXUROK-ZDEQEGDKSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001370982011 896527988 /nfs/dbraw/zinc/52/79/88/896527988.db2.gz WBLMVOJXBBUIRA-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001371138774 896555590 /nfs/dbraw/zinc/55/55/90/896555590.db2.gz JHMOFLIJBPWGKP-ZYHUDNBSSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)NCc1nnnn1C ZINC001371235628 896581890 /nfs/dbraw/zinc/58/18/90/896581890.db2.gz JQEIHCCLXHBGKN-GHMZBOCLSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCCCN1C)NCc1nnnn1C ZINC001371235628 896581900 /nfs/dbraw/zinc/58/19/00/896581900.db2.gz JQEIHCCLXHBGKN-GHMZBOCLSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001371320924 896587898 /nfs/dbraw/zinc/58/78/98/896587898.db2.gz PGVBTFOTEAUVMF-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001371308120 896590294 /nfs/dbraw/zinc/59/02/94/896590294.db2.gz FLUJXQXSYVMZHL-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C)c1nnnn1C ZINC001371343963 896594633 /nfs/dbraw/zinc/59/46/33/896594633.db2.gz IBVJCPBYBNSACY-WDEREUQCSA-N 2 1 297.407 -0.293 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001371408232 896606536 /nfs/dbraw/zinc/60/65/36/896606536.db2.gz NLRQSQGGPAWEJS-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001371408232 896606540 /nfs/dbraw/zinc/60/65/40/896606540.db2.gz NLRQSQGGPAWEJS-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@@H]([NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1)c1nnnn1C ZINC001371472799 896620978 /nfs/dbraw/zinc/62/09/78/896620978.db2.gz NHRLYCYQYRNTKL-WDEREUQCSA-N 2 1 295.391 -0.539 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001371661505 896646489 /nfs/dbraw/zinc/64/64/89/896646489.db2.gz WONUTKZRMHGEQF-NEPJUHHUSA-N 2 1 284.404 -0.171 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001371661509 896648149 /nfs/dbraw/zinc/64/81/49/896648149.db2.gz WONUTKZRMHGEQF-RYUDHWBXSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001371736273 896657993 /nfs/dbraw/zinc/65/79/93/896657993.db2.gz UTXRAQQIRGAVBI-DGCLKSJQSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001371876336 896674917 /nfs/dbraw/zinc/67/49/17/896674917.db2.gz HROISEVUYMYQGM-NWDGAFQWSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001372077396 896723488 /nfs/dbraw/zinc/72/34/88/896723488.db2.gz OWWPENLQSLGZBI-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001372077396 896723500 /nfs/dbraw/zinc/72/35/00/896723500.db2.gz OWWPENLQSLGZBI-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001372077396 896723514 /nfs/dbraw/zinc/72/35/14/896723514.db2.gz OWWPENLQSLGZBI-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001372077396 896723527 /nfs/dbraw/zinc/72/35/27/896723527.db2.gz OWWPENLQSLGZBI-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001372077405 896724714 /nfs/dbraw/zinc/72/47/14/896724714.db2.gz OWWPENLQSLGZBI-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001372077405 896724724 /nfs/dbraw/zinc/72/47/24/896724724.db2.gz OWWPENLQSLGZBI-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001372077405 896724735 /nfs/dbraw/zinc/72/47/35/896724735.db2.gz OWWPENLQSLGZBI-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001372077405 896724741 /nfs/dbraw/zinc/72/47/41/896724741.db2.gz OWWPENLQSLGZBI-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CN1CC[C@H]([N@H+](C)CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1=O ZINC001372183160 896738815 /nfs/dbraw/zinc/73/88/15/896738815.db2.gz MEQWJRTZZYOIFH-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1=O ZINC001372183160 896738827 /nfs/dbraw/zinc/73/88/27/896738827.db2.gz MEQWJRTZZYOIFH-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@H]([NH+](C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001372183160 896738840 /nfs/dbraw/zinc/73/88/40/896738840.db2.gz MEQWJRTZZYOIFH-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@H]([NH+](C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001372183160 896738850 /nfs/dbraw/zinc/73/88/50/896738850.db2.gz MEQWJRTZZYOIFH-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@@H]1CCN(CC)C1=O)[NH+](C)C ZINC001372190690 896744174 /nfs/dbraw/zinc/74/41/74/896744174.db2.gz PPGYTVGHMBUJNT-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H]1CCN(CC)C1=O)[NH+](C)C ZINC001372190690 896744187 /nfs/dbraw/zinc/74/41/87/896744187.db2.gz PPGYTVGHMBUJNT-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H](C)C(=O)NC ZINC001372397885 896783761 /nfs/dbraw/zinc/78/37/61/896783761.db2.gz QVXIRYSEVQLCHO-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H](C)C(=O)NC ZINC001372397885 896783768 /nfs/dbraw/zinc/78/37/68/896783768.db2.gz QVXIRYSEVQLCHO-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@H](C)C(=O)NC ZINC001372397885 896783775 /nfs/dbraw/zinc/78/37/75/896783775.db2.gz QVXIRYSEVQLCHO-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@H](C)C(=O)NC ZINC001372397885 896783778 /nfs/dbraw/zinc/78/37/78/896783778.db2.gz QVXIRYSEVQLCHO-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001372547410 896806298 /nfs/dbraw/zinc/80/62/98/896806298.db2.gz DQQPOECFDVMXQR-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001372556453 896809835 /nfs/dbraw/zinc/80/98/35/896809835.db2.gz ZUCFNDKRGNEIAQ-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@H](C)C(N)=O ZINC001372573065 896811506 /nfs/dbraw/zinc/81/15/06/896811506.db2.gz FQBDMKMQKXXHQR-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@H](C)C(N)=O ZINC001372573065 896811519 /nfs/dbraw/zinc/81/15/19/896811519.db2.gz FQBDMKMQKXXHQR-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001372573065 896811529 /nfs/dbraw/zinc/81/15/29/896811529.db2.gz FQBDMKMQKXXHQR-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001372573065 896811539 /nfs/dbraw/zinc/81/15/39/896811539.db2.gz FQBDMKMQKXXHQR-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001372614739 896824084 /nfs/dbraw/zinc/82/40/84/896824084.db2.gz UDQXZPPNIQIUNF-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001372648289 896829184 /nfs/dbraw/zinc/82/91/84/896829184.db2.gz KCTCPSUMHRITPZ-GHMZBOCLSA-N 2 1 293.371 -0.475 20 0 CBADMP CNC(=O)[C@@H](C)N1CC[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001372648289 896829193 /nfs/dbraw/zinc/82/91/93/896829193.db2.gz KCTCPSUMHRITPZ-GHMZBOCLSA-N 2 1 293.371 -0.475 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001372648297 896831561 /nfs/dbraw/zinc/83/15/61/896831561.db2.gz KCTCPSUMHRITPZ-MNOVXSKESA-N 2 1 293.371 -0.475 20 0 CBADMP CNC(=O)[C@@H](C)N1CC[C@@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001372648297 896831571 /nfs/dbraw/zinc/83/15/71/896831571.db2.gz KCTCPSUMHRITPZ-MNOVXSKESA-N 2 1 293.371 -0.475 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001372674148 896836400 /nfs/dbraw/zinc/83/64/00/896836400.db2.gz ZEMCRKIWDITQSB-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001372674148 896836415 /nfs/dbraw/zinc/83/64/15/896836415.db2.gz ZEMCRKIWDITQSB-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001372674148 896836425 /nfs/dbraw/zinc/83/64/25/896836425.db2.gz ZEMCRKIWDITQSB-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001372945007 896907757 /nfs/dbraw/zinc/90/77/57/896907757.db2.gz JNRCJRRGRMREKP-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001372953833 896913087 /nfs/dbraw/zinc/91/30/87/896913087.db2.gz ZPMOVPBNQRPVLN-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001372994102 896919639 /nfs/dbraw/zinc/91/96/39/896919639.db2.gz TZIFJPQVVIJQKX-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001373366830 896987707 /nfs/dbraw/zinc/98/77/07/896987707.db2.gz QHJAMQDUKCKDSJ-IHRRRGAJSA-N 2 1 299.415 -0.474 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001373529152 897039629 /nfs/dbraw/zinc/03/96/29/897039629.db2.gz ARIFXNAXLPMZNB-LLVKDONJSA-N 2 1 296.415 -0.489 20 0 CBADMP COC[C@H](O)C[NH+]1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001373521133 897040788 /nfs/dbraw/zinc/04/07/88/897040788.db2.gz DVRWAMQOMSVJGS-CYBMUJFWSA-N 2 1 296.371 -0.753 20 0 CBADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001373605700 897070921 /nfs/dbraw/zinc/07/09/21/897070921.db2.gz VTEPMBCDJSVHHE-YNEHKIRRSA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001373605700 897070939 /nfs/dbraw/zinc/07/09/39/897070939.db2.gz VTEPMBCDJSVHHE-YNEHKIRRSA-N 2 1 296.415 -0.348 20 0 CBADMP CN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373678672 897097854 /nfs/dbraw/zinc/09/78/54/897097854.db2.gz FFNXTHRMLKVSKC-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373678672 897097861 /nfs/dbraw/zinc/09/78/61/897097861.db2.gz FFNXTHRMLKVSKC-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373709529 897101209 /nfs/dbraw/zinc/10/12/09/897101209.db2.gz SWEVBUIJBFJZGF-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373709529 897101222 /nfs/dbraw/zinc/10/12/22/897101222.db2.gz SWEVBUIJBFJZGF-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CCO ZINC001373808848 897126511 /nfs/dbraw/zinc/12/65/11/897126511.db2.gz WWGOVACCNNPQKQ-GFCCVEGCSA-N 2 1 273.377 -0.815 20 0 CBADMP CC[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CCO ZINC001373808849 897126727 /nfs/dbraw/zinc/12/67/27/897126727.db2.gz WWGOVACCNNPQKQ-LBPRGKRZSA-N 2 1 273.377 -0.815 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001373830092 897129613 /nfs/dbraw/zinc/12/96/13/897129613.db2.gz HYYYKRLVXPAISY-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001373830092 897129619 /nfs/dbraw/zinc/12/96/19/897129619.db2.gz HYYYKRLVXPAISY-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H]([NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1)C(N)=O ZINC001373842448 897129777 /nfs/dbraw/zinc/12/97/77/897129777.db2.gz LILPNNSILHPXKS-NWDGAFQWSA-N 2 1 296.415 -0.027 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001373834670 897129911 /nfs/dbraw/zinc/12/99/11/897129911.db2.gz XIKYKGPAGRWLIZ-QWRGUYRKSA-N 2 1 295.391 -0.854 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001373834670 897129915 /nfs/dbraw/zinc/12/99/15/897129915.db2.gz XIKYKGPAGRWLIZ-QWRGUYRKSA-N 2 1 295.391 -0.854 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001373830100 897131369 /nfs/dbraw/zinc/13/13/69/897131369.db2.gz HYYYKRLVXPAISY-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001373830100 897131375 /nfs/dbraw/zinc/13/13/75/897131375.db2.gz HYYYKRLVXPAISY-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001374083205 897167524 /nfs/dbraw/zinc/16/75/24/897167524.db2.gz ZUWHWIVWHJKCRY-NSHDSACASA-N 2 1 295.387 -0.166 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001374210056 897189487 /nfs/dbraw/zinc/18/94/87/897189487.db2.gz YPLTVHHVWCUKRA-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001374210052 897190643 /nfs/dbraw/zinc/19/06/43/897190643.db2.gz YPLTVHHVWCUKRA-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001374271409 897202632 /nfs/dbraw/zinc/20/26/32/897202632.db2.gz NBWRIZAGAHNSJW-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374310941 897209076 /nfs/dbraw/zinc/20/90/76/897209076.db2.gz FRHJHJNUCNMNIJ-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374312903 897210295 /nfs/dbraw/zinc/21/02/95/897210295.db2.gz MTEXBRJSQIPIIK-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374312900 897211966 /nfs/dbraw/zinc/21/19/66/897211966.db2.gz MTEXBRJSQIPIIK-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374310949 897212035 /nfs/dbraw/zinc/21/20/35/897212035.db2.gz FRHJHJNUCNMNIJ-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001374319692 897213246 /nfs/dbraw/zinc/21/32/46/897213246.db2.gz IHEZNBWCSKQZEH-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001374534232 897252567 /nfs/dbraw/zinc/25/25/67/897252567.db2.gz NVVZNXJPNSUBSD-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001374534232 897252585 /nfs/dbraw/zinc/25/25/85/897252585.db2.gz NVVZNXJPNSUBSD-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001374552539 897252981 /nfs/dbraw/zinc/25/29/81/897252981.db2.gz PIWLDASFWVOUOW-UHFFFAOYSA-N 2 1 296.415 -0.439 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001374552539 897252991 /nfs/dbraw/zinc/25/29/91/897252991.db2.gz PIWLDASFWVOUOW-UHFFFAOYSA-N 2 1 296.415 -0.439 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)[C@@H](C)C(=O)NC ZINC001374548215 897256835 /nfs/dbraw/zinc/25/68/35/897256835.db2.gz RFSFZROHMBEWIP-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)[C@@H](C)C(=O)NC ZINC001374548215 897256854 /nfs/dbraw/zinc/25/68/54/897256854.db2.gz RFSFZROHMBEWIP-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC ZINC001374548215 897256870 /nfs/dbraw/zinc/25/68/70/897256870.db2.gz RFSFZROHMBEWIP-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC ZINC001374548215 897256887 /nfs/dbraw/zinc/25/68/87/897256887.db2.gz RFSFZROHMBEWIP-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CN(CCN(C)[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374556702 897260113 /nfs/dbraw/zinc/26/01/13/897260113.db2.gz RYBVBDCNJPUXBZ-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001374556702 897260124 /nfs/dbraw/zinc/26/01/24/897260124.db2.gz RYBVBDCNJPUXBZ-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001374556702 897260136 /nfs/dbraw/zinc/26/01/36/897260136.db2.gz RYBVBDCNJPUXBZ-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374556702 897260152 /nfs/dbraw/zinc/26/01/52/897260152.db2.gz RYBVBDCNJPUXBZ-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374556702 897260169 /nfs/dbraw/zinc/26/01/69/897260169.db2.gz RYBVBDCNJPUXBZ-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)CC(N)=O ZINC001374557803 897260696 /nfs/dbraw/zinc/26/06/96/897260696.db2.gz QBIKZAAORKZOSL-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CN(CCN(C)[C@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374556705 897262700 /nfs/dbraw/zinc/26/27/00/897262700.db2.gz RYBVBDCNJPUXBZ-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001374556705 897262712 /nfs/dbraw/zinc/26/27/12/897262712.db2.gz RYBVBDCNJPUXBZ-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001374556705 897262732 /nfs/dbraw/zinc/26/27/32/897262732.db2.gz RYBVBDCNJPUXBZ-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374556705 897262756 /nfs/dbraw/zinc/26/27/56/897262756.db2.gz RYBVBDCNJPUXBZ-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374556705 897262770 /nfs/dbraw/zinc/26/27/70/897262770.db2.gz RYBVBDCNJPUXBZ-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CCN(C)[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374556700 897263523 /nfs/dbraw/zinc/26/35/23/897263523.db2.gz RYBVBDCNJPUXBZ-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001374556700 897263530 /nfs/dbraw/zinc/26/35/30/897263530.db2.gz RYBVBDCNJPUXBZ-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001374556700 897263545 /nfs/dbraw/zinc/26/35/45/897263545.db2.gz RYBVBDCNJPUXBZ-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374556700 897263556 /nfs/dbraw/zinc/26/35/56/897263556.db2.gz RYBVBDCNJPUXBZ-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374556700 897263574 /nfs/dbraw/zinc/26/35/74/897263574.db2.gz RYBVBDCNJPUXBZ-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cncs1 ZINC001374588963 897286144 /nfs/dbraw/zinc/28/61/44/897286144.db2.gz GRJNMCRRKGTWNT-CMPLNLGQSA-N 2 1 298.412 -0.196 20 0 CBADMP CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001374637188 897322270 /nfs/dbraw/zinc/32/22/70/897322270.db2.gz NTOJJECCGIASOY-YPMHNXCESA-N 2 1 280.372 -0.159 20 0 CBADMP Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001374641660 897326423 /nfs/dbraw/zinc/32/64/23/897326423.db2.gz KBSQGNJFRRNFHK-LLVKDONJSA-N 2 1 284.360 -0.499 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374738446 897365586 /nfs/dbraw/zinc/36/55/86/897365586.db2.gz QEGQKPRQPWBSCR-ZYHUDNBSSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001374738446 897365600 /nfs/dbraw/zinc/36/56/00/897365600.db2.gz QEGQKPRQPWBSCR-ZYHUDNBSSA-N 2 1 280.376 -0.496 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001374739002 897366751 /nfs/dbraw/zinc/36/67/51/897366751.db2.gz UDHIZCWVAHASRD-UTUOFQBUSA-N 2 1 273.377 -0.818 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001374774190 897382385 /nfs/dbraw/zinc/38/23/85/897382385.db2.gz DOODHAQYSLWDPH-FRRDWIJNSA-N 2 1 287.404 -0.428 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374811841 897400860 /nfs/dbraw/zinc/40/08/60/897400860.db2.gz YYUXKXNTISXRDE-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001374827458 897403695 /nfs/dbraw/zinc/40/36/95/897403695.db2.gz IROGMQUWZCHFGS-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001374833392 897406914 /nfs/dbraw/zinc/40/69/14/897406914.db2.gz JAMILWQRMYGURO-SNVBAGLBSA-N 2 1 283.380 -0.854 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001374833392 897406923 /nfs/dbraw/zinc/40/69/23/897406923.db2.gz JAMILWQRMYGURO-SNVBAGLBSA-N 2 1 283.380 -0.854 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001374897756 897427466 /nfs/dbraw/zinc/42/74/66/897427466.db2.gz FNZAXXYZHGPNFS-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001374921757 897435581 /nfs/dbraw/zinc/43/55/81/897435581.db2.gz IFXDJXBHUYYLNR-GARJFASQSA-N 2 1 270.377 -0.691 20 0 CBADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001374940495 897440321 /nfs/dbraw/zinc/44/03/21/897440321.db2.gz PSAKELIGSRZWLP-NWDGAFQWSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001375058823 897467619 /nfs/dbraw/zinc/46/76/19/897467619.db2.gz XRIXXRSXFQAKEG-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001375058823 897467624 /nfs/dbraw/zinc/46/76/24/897467624.db2.gz XRIXXRSXFQAKEG-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CCC[NH+](C)C ZINC001375096951 897472489 /nfs/dbraw/zinc/47/24/89/897472489.db2.gz VPGCESVYDYOQEW-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CCC[NH+](C)C ZINC001375096951 897472493 /nfs/dbraw/zinc/47/24/93/897472493.db2.gz VPGCESVYDYOQEW-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001375074800 897473492 /nfs/dbraw/zinc/47/34/92/897473492.db2.gz RPCPLRLYORFSFO-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001375074800 897473500 /nfs/dbraw/zinc/47/35/00/897473500.db2.gz RPCPLRLYORFSFO-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001375136711 897480822 /nfs/dbraw/zinc/48/08/22/897480822.db2.gz NTIWMQXOJWXAHG-WDEREUQCSA-N 2 1 272.393 -0.491 20 0 CBADMP CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001375136711 897480833 /nfs/dbraw/zinc/48/08/33/897480833.db2.gz NTIWMQXOJWXAHG-WDEREUQCSA-N 2 1 272.393 -0.491 20 0 CBADMP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001375136697 897483421 /nfs/dbraw/zinc/48/34/21/897483421.db2.gz NTIWMQXOJWXAHG-GHMZBOCLSA-N 2 1 272.393 -0.491 20 0 CBADMP CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001375136697 897483426 /nfs/dbraw/zinc/48/34/26/897483426.db2.gz NTIWMQXOJWXAHG-GHMZBOCLSA-N 2 1 272.393 -0.491 20 0 CBADMP C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001375131331 897483907 /nfs/dbraw/zinc/48/39/07/897483907.db2.gz CIIHVRDSBAUGEI-RYUDHWBXSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001375131331 897483916 /nfs/dbraw/zinc/48/39/16/897483916.db2.gz CIIHVRDSBAUGEI-RYUDHWBXSA-N 2 1 294.399 -0.593 20 0 CBADMP CCCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001375153378 897486004 /nfs/dbraw/zinc/48/60/04/897486004.db2.gz DYHCCAAUCCRJAB-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001375153378 897486011 /nfs/dbraw/zinc/48/60/11/897486011.db2.gz DYHCCAAUCCRJAB-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001375153378 897486019 /nfs/dbraw/zinc/48/60/19/897486019.db2.gz DYHCCAAUCCRJAB-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001375153378 897486026 /nfs/dbraw/zinc/48/60/26/897486026.db2.gz DYHCCAAUCCRJAB-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001375483434 897551846 /nfs/dbraw/zinc/55/18/46/897551846.db2.gz GJBXRQADVMIASH-IGQOVBAYSA-N 2 1 299.415 -0.164 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001375483434 897551862 /nfs/dbraw/zinc/55/18/62/897551862.db2.gz GJBXRQADVMIASH-IGQOVBAYSA-N 2 1 299.415 -0.164 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001375483440 897553164 /nfs/dbraw/zinc/55/31/64/897553164.db2.gz GJBXRQADVMIASH-YIYPIFLZSA-N 2 1 299.415 -0.164 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001375483440 897553177 /nfs/dbraw/zinc/55/31/77/897553177.db2.gz GJBXRQADVMIASH-YIYPIFLZSA-N 2 1 299.415 -0.164 20 0 CBADMP CC[C@@H]([NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001375524113 897559164 /nfs/dbraw/zinc/55/91/64/897559164.db2.gz ZVDYQDKZVXRGFZ-VXGBXAGGSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[C@H]([NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001375524099 897559227 /nfs/dbraw/zinc/55/92/27/897559227.db2.gz ZVDYQDKZVXRGFZ-NEPJUHHUSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+][C@@H]3CCCNC3=O)CC2)C1 ZINC001375546843 897562883 /nfs/dbraw/zinc/56/28/83/897562883.db2.gz ZLSWQZWHCPBKIV-VXGBXAGGSA-N 2 1 294.399 -0.545 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001375645256 897580986 /nfs/dbraw/zinc/58/09/86/897580986.db2.gz RJCUVZUVPVQEOG-OAHLLOKOSA-N 2 1 296.415 -0.262 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001375645256 897580996 /nfs/dbraw/zinc/58/09/96/897580996.db2.gz RJCUVZUVPVQEOG-OAHLLOKOSA-N 2 1 296.415 -0.262 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001375645256 897581012 /nfs/dbraw/zinc/58/10/12/897581012.db2.gz RJCUVZUVPVQEOG-OAHLLOKOSA-N 2 1 296.415 -0.262 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001375838354 897615544 /nfs/dbraw/zinc/61/55/44/897615544.db2.gz PQKCRXAGUUOPFD-RISCZKNCSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001375838354 897615550 /nfs/dbraw/zinc/61/55/50/897615550.db2.gz PQKCRXAGUUOPFD-RISCZKNCSA-N 2 1 284.404 -0.217 20 0 CBADMP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001375892102 897618787 /nfs/dbraw/zinc/61/87/87/897618787.db2.gz BJXIJLNUQPWFFB-HNNXBMFYSA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001376156793 897674694 /nfs/dbraw/zinc/67/46/94/897674694.db2.gz MNWREPYLDUFFCW-STQMWFEESA-N 2 1 287.404 -0.476 20 0 CBADMP CCCNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376155949 897676666 /nfs/dbraw/zinc/67/66/66/897676666.db2.gz QYJDJZDGGFNXLU-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001376152901 897677117 /nfs/dbraw/zinc/67/71/17/897677117.db2.gz OVQGRCQJRPXVHQ-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001376152901 897677125 /nfs/dbraw/zinc/67/71/25/897677125.db2.gz OVQGRCQJRPXVHQ-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001376204766 897685853 /nfs/dbraw/zinc/68/58/53/897685853.db2.gz ZBTCUYZAIUOSIC-VXGBXAGGSA-N 2 1 282.388 -0.689 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001376204758 897687436 /nfs/dbraw/zinc/68/74/36/897687436.db2.gz ZBTCUYZAIUOSIC-NWDGAFQWSA-N 2 1 282.388 -0.689 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001376279071 897700641 /nfs/dbraw/zinc/70/06/41/897700641.db2.gz HDFZEPWFGJHHAR-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376279071 897700650 /nfs/dbraw/zinc/70/06/50/897700650.db2.gz HDFZEPWFGJHHAR-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376279071 897700658 /nfs/dbraw/zinc/70/06/58/897700658.db2.gz HDFZEPWFGJHHAR-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001376371806 897719888 /nfs/dbraw/zinc/71/98/88/897719888.db2.gz CFITZYRGJAGQBV-JHJVBQTASA-N 2 1 296.415 -0.156 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001376466394 897746967 /nfs/dbraw/zinc/74/69/67/897746967.db2.gz VXERAIDCZJYJCU-TXEJJXNPSA-N 2 1 293.371 -0.285 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001376487758 897757131 /nfs/dbraw/zinc/75/71/31/897757131.db2.gz CSUVULRIBLXLDR-GARJFASQSA-N 2 1 270.377 -0.561 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001376495150 897759750 /nfs/dbraw/zinc/75/97/50/897759750.db2.gz RKFGEVLAOZVFJE-GRYCIOLGSA-N 2 1 282.388 -0.547 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001376512601 897762651 /nfs/dbraw/zinc/76/26/51/897762651.db2.gz OBTIGVFHOMMPTD-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001376631324 897787109 /nfs/dbraw/zinc/78/71/09/897787109.db2.gz WCOLXCGPWWEFKR-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001376748358 897831255 /nfs/dbraw/zinc/83/12/55/897831255.db2.gz WCMKMPXZQVQLOE-GFCCVEGCSA-N 2 1 296.415 -0.025 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001376743791 897831718 /nfs/dbraw/zinc/83/17/18/897831718.db2.gz VAMFYPUQXGGUAD-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@H]([NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001376773552 897840262 /nfs/dbraw/zinc/84/02/62/897840262.db2.gz FXOSNMMXNUWIKS-KOLCDFICSA-N 2 1 281.360 -0.450 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001376803975 897852280 /nfs/dbraw/zinc/85/22/80/897852280.db2.gz SYJKVWLMCYTLTO-NWDGAFQWSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC001376839731 897865802 /nfs/dbraw/zinc/86/58/02/897865802.db2.gz ALWWQMNKUGPRRK-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC001376871916 897876279 /nfs/dbraw/zinc/87/62/79/897876279.db2.gz ZSKCHWYSKRQDLN-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376882184 897879534 /nfs/dbraw/zinc/87/95/34/897879534.db2.gz NOCJYDKIOHDYDD-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001376885401 897880268 /nfs/dbraw/zinc/88/02/68/897880268.db2.gz RXIHGMRYZHWODE-MNOVXSKESA-N 2 1 280.376 -0.639 20 0 CBADMP CN(CCC[N@H+](C)CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001376923471 897890372 /nfs/dbraw/zinc/89/03/72/897890372.db2.gz VYPUODARNHIZHA-LBPRGKRZSA-N 2 1 273.377 -0.910 20 0 CBADMP CN(CCC[N@@H+](C)CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001376923471 897890378 /nfs/dbraw/zinc/89/03/78/897890378.db2.gz VYPUODARNHIZHA-LBPRGKRZSA-N 2 1 273.377 -0.910 20 0 CBADMP CN(CCC[NH+](C)CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001376923471 897890380 /nfs/dbraw/zinc/89/03/80/897890380.db2.gz VYPUODARNHIZHA-LBPRGKRZSA-N 2 1 273.377 -0.910 20 0 CBADMP CN(CCC[NH+](C)CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001376923471 897890386 /nfs/dbraw/zinc/89/03/86/897890386.db2.gz VYPUODARNHIZHA-LBPRGKRZSA-N 2 1 273.377 -0.910 20 0 CBADMP CN(CCC[N@H+](C)CCCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001376919406 897892361 /nfs/dbraw/zinc/89/23/61/897892361.db2.gz FMHKJBYUAVVLKX-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CN(CCC[N@@H+](C)CCCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001376919406 897892366 /nfs/dbraw/zinc/89/23/66/897892366.db2.gz FMHKJBYUAVVLKX-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CN(CCC[NH+](C)CCCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001376919406 897892370 /nfs/dbraw/zinc/89/23/70/897892370.db2.gz FMHKJBYUAVVLKX-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CN(CCC[NH+](C)CCCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001376919406 897892377 /nfs/dbraw/zinc/89/23/77/897892377.db2.gz FMHKJBYUAVVLKX-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP Cn1cc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001376915994 897892454 /nfs/dbraw/zinc/89/24/54/897892454.db2.gz XGHTXOUDNQUETR-NSHDSACASA-N 2 1 280.376 -0.543 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001376941546 897897811 /nfs/dbraw/zinc/89/78/11/897897811.db2.gz WGGBLXXXPYGSAL-JHJVBQTASA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001376941546 897897823 /nfs/dbraw/zinc/89/78/23/897897823.db2.gz WGGBLXXXPYGSAL-JHJVBQTASA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001376941546 897897838 /nfs/dbraw/zinc/89/78/38/897897838.db2.gz WGGBLXXXPYGSAL-JHJVBQTASA-N 2 1 298.431 -0.019 20 0 CBADMP CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001376963499 897899579 /nfs/dbraw/zinc/89/95/79/897899579.db2.gz FQINSVNQEVQAPH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001376963499 897899592 /nfs/dbraw/zinc/89/95/92/897899592.db2.gz FQINSVNQEVQAPH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001376963499 897899610 /nfs/dbraw/zinc/89/96/10/897899610.db2.gz FQINSVNQEVQAPH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001377108255 897930719 /nfs/dbraw/zinc/93/07/19/897930719.db2.gz LGHPFKJSGJSYMI-ZYHUDNBSSA-N 2 1 293.371 -0.436 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@@H]1CCCN(C)C1=O)[NH+](C)C ZINC001377222394 897973514 /nfs/dbraw/zinc/97/35/14/897973514.db2.gz NNSBOXKSXYKFCN-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H]1CCCN(C)C1=O)[NH+](C)C ZINC001377222394 897973528 /nfs/dbraw/zinc/97/35/28/897973528.db2.gz NNSBOXKSXYKFCN-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H](C)C(=O)N(C)C ZINC001377293562 898002203 /nfs/dbraw/zinc/00/22/03/898002203.db2.gz YRGCREOTIMZJRK-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H](C)C(=O)N(C)C ZINC001377293562 898002214 /nfs/dbraw/zinc/00/22/14/898002214.db2.gz YRGCREOTIMZJRK-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C)C(=O)N(C)C ZINC001377293562 898002227 /nfs/dbraw/zinc/00/22/27/898002227.db2.gz YRGCREOTIMZJRK-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@H](C)C(=O)N(C)C ZINC001377293562 898002238 /nfs/dbraw/zinc/00/22/38/898002238.db2.gz YRGCREOTIMZJRK-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H](C)C(=O)N(C)C ZINC001377293564 898004438 /nfs/dbraw/zinc/00/44/38/898004438.db2.gz YRGCREOTIMZJRK-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H](C)C(=O)N(C)C ZINC001377293564 898004443 /nfs/dbraw/zinc/00/44/43/898004443.db2.gz YRGCREOTIMZJRK-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C)C(=O)N(C)C ZINC001377293564 898004456 /nfs/dbraw/zinc/00/44/56/898004456.db2.gz YRGCREOTIMZJRK-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@@H](C)C(=O)N(C)C ZINC001377293564 898004468 /nfs/dbraw/zinc/00/44/68/898004468.db2.gz YRGCREOTIMZJRK-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC(N)=O ZINC001377336115 898012244 /nfs/dbraw/zinc/01/22/44/898012244.db2.gz FRUBJTFQUDMGEG-UHFFFAOYSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC(N)=O ZINC001377336115 898012255 /nfs/dbraw/zinc/01/22/55/898012255.db2.gz FRUBJTFQUDMGEG-UHFFFAOYSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@H]1CCNC1=O ZINC001377362367 898026722 /nfs/dbraw/zinc/02/67/22/898026722.db2.gz SGTPJHGQAXRPAQ-LBPRGKRZSA-N 2 1 294.399 -0.591 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)[C@@H](C)C1 ZINC001377376627 898027723 /nfs/dbraw/zinc/02/77/23/898027723.db2.gz FOZKYKBPZKOBFB-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)[C@@H](C)C1 ZINC001377376627 898027732 /nfs/dbraw/zinc/02/77/32/898027732.db2.gz FOZKYKBPZKOBFB-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC001377376627 898027744 /nfs/dbraw/zinc/02/77/44/898027744.db2.gz FOZKYKBPZKOBFB-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC001377376627 898027758 /nfs/dbraw/zinc/02/77/58/898027758.db2.gz FOZKYKBPZKOBFB-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001377458080 898055652 /nfs/dbraw/zinc/05/56/52/898055652.db2.gz WUVFNGBUKFPZRH-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001377471305 898058146 /nfs/dbraw/zinc/05/81/46/898058146.db2.gz KJHBJKNFEBPPNE-CMPLNLGQSA-N 2 1 293.371 -0.497 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001377471305 898058159 /nfs/dbraw/zinc/05/81/59/898058159.db2.gz KJHBJKNFEBPPNE-CMPLNLGQSA-N 2 1 293.371 -0.497 20 0 CBADMP NC(=O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001377481139 898061366 /nfs/dbraw/zinc/06/13/66/898061366.db2.gz UJKYWGCAWQSIGT-CYBMUJFWSA-N 2 1 296.415 -0.214 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001377511404 898070863 /nfs/dbraw/zinc/07/08/63/898070863.db2.gz FEQKUXAPGXEXLK-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP CCC[N@@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC001377510827 898072765 /nfs/dbraw/zinc/07/27/65/898072765.db2.gz PXBSEGGZZZTQJU-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001377551807 898080880 /nfs/dbraw/zinc/08/08/80/898080880.db2.gz QRWCXFGXWKBBKT-LBPRGKRZSA-N 2 1 285.388 -0.984 20 0 CBADMP C[C@H](C(N)=O)[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001377557051 898084827 /nfs/dbraw/zinc/08/48/27/898084827.db2.gz HNECPGKOFFDONM-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001377557051 898084835 /nfs/dbraw/zinc/08/48/35/898084835.db2.gz HNECPGKOFFDONM-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001377557051 898084852 /nfs/dbraw/zinc/08/48/52/898084852.db2.gz HNECPGKOFFDONM-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001377557051 898084869 /nfs/dbraw/zinc/08/48/69/898084869.db2.gz HNECPGKOFFDONM-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001377555758 898084935 /nfs/dbraw/zinc/08/49/35/898084935.db2.gz WDFJKHUZGDDUFJ-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001377555758 898084948 /nfs/dbraw/zinc/08/49/48/898084948.db2.gz WDFJKHUZGDDUFJ-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001377555758 898084963 /nfs/dbraw/zinc/08/49/63/898084963.db2.gz WDFJKHUZGDDUFJ-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001377555758 898084975 /nfs/dbraw/zinc/08/49/75/898084975.db2.gz WDFJKHUZGDDUFJ-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001377574569 898089119 /nfs/dbraw/zinc/08/91/19/898089119.db2.gz CKACOYLQLBDBDH-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+][C@H]2CCNC2=O)C1 ZINC001377589101 898098759 /nfs/dbraw/zinc/09/87/59/898098759.db2.gz HOLKWQXSMCLVJQ-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001377588454 898099970 /nfs/dbraw/zinc/09/99/70/898099970.db2.gz NBVYGPCUIULWOV-GFCCVEGCSA-N 2 1 293.371 -0.530 20 0 CBADMP CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001377705610 898116760 /nfs/dbraw/zinc/11/67/60/898116760.db2.gz ZJNOXABKAWLGHB-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP NC(=O)C[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001377720901 898121339 /nfs/dbraw/zinc/12/13/39/898121339.db2.gz NUYYLOCQHBTICL-LBPRGKRZSA-N 2 1 282.388 -0.604 20 0 CBADMP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001377713429 898121464 /nfs/dbraw/zinc/12/14/64/898121464.db2.gz XTSYKAMZOMGCLL-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001377715525 898121543 /nfs/dbraw/zinc/12/15/43/898121543.db2.gz AIKNBGCCRMWKJN-NWDGAFQWSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001377715525 898121548 /nfs/dbraw/zinc/12/15/48/898121548.db2.gz AIKNBGCCRMWKJN-NWDGAFQWSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001377715525 898121551 /nfs/dbraw/zinc/12/15/51/898121551.db2.gz AIKNBGCCRMWKJN-NWDGAFQWSA-N 2 1 282.388 -0.748 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC(=O)NC)C1 ZINC001377758140 898129755 /nfs/dbraw/zinc/12/97/55/898129755.db2.gz KAUYMFWLXOBENS-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC)C1 ZINC001377758140 898129766 /nfs/dbraw/zinc/12/97/66/898129766.db2.gz KAUYMFWLXOBENS-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NC)C1 ZINC001377758140 898129776 /nfs/dbraw/zinc/12/97/76/898129776.db2.gz KAUYMFWLXOBENS-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001377851341 898146825 /nfs/dbraw/zinc/14/68/25/898146825.db2.gz FLRWVZRDKAGQDM-AWEZNQCLSA-N 2 1 299.415 -0.328 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001377851341 898146830 /nfs/dbraw/zinc/14/68/30/898146830.db2.gz FLRWVZRDKAGQDM-AWEZNQCLSA-N 2 1 299.415 -0.328 20 0 CBADMP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001377840350 898146866 /nfs/dbraw/zinc/14/68/66/898146866.db2.gz OWCSWCWRHPHFGO-WDEREUQCSA-N 2 1 297.407 -0.465 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001377899667 898165716 /nfs/dbraw/zinc/16/57/16/898165716.db2.gz DAHUWTQSPNLXMY-GHMZBOCLSA-N 2 1 295.387 -0.190 20 0 CBADMP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001377911969 898168178 /nfs/dbraw/zinc/16/81/78/898168178.db2.gz ORHNFJLBBSYZTB-QWRGUYRKSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001377918373 898169636 /nfs/dbraw/zinc/16/96/36/898169636.db2.gz WHYDGEJNSLHFHB-NWDGAFQWSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CCC[NH+](C)C ZINC001377952906 898178472 /nfs/dbraw/zinc/17/84/72/898178472.db2.gz JFROTESLBHCSLI-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001378116333 898241611 /nfs/dbraw/zinc/24/16/11/898241611.db2.gz RPWRNWGDQVDMAH-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001378116333 898241628 /nfs/dbraw/zinc/24/16/28/898241628.db2.gz RPWRNWGDQVDMAH-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001378141049 898249287 /nfs/dbraw/zinc/24/92/87/898249287.db2.gz MLRGISMTCOLUCV-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)CN(C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001378141049 898249249 /nfs/dbraw/zinc/24/92/49/898249249.db2.gz MLRGISMTCOLUCV-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001378141049 898249269 /nfs/dbraw/zinc/24/92/69/898249269.db2.gz MLRGISMTCOLUCV-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001378141049 898249323 /nfs/dbraw/zinc/24/93/23/898249323.db2.gz MLRGISMTCOLUCV-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378163655 898259568 /nfs/dbraw/zinc/25/95/68/898259568.db2.gz IBZQTMMLVJYMFB-NSHDSACASA-N 2 1 270.377 -0.783 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378163655 898259583 /nfs/dbraw/zinc/25/95/83/898259583.db2.gz IBZQTMMLVJYMFB-NSHDSACASA-N 2 1 270.377 -0.783 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1 ZINC001378382261 898324848 /nfs/dbraw/zinc/32/48/48/898324848.db2.gz JQXOMMINQDHRFB-LLVKDONJSA-N 2 1 282.388 -0.558 20 0 CBADMP CNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001378429181 898327573 /nfs/dbraw/zinc/32/75/73/898327573.db2.gz IBRNEYHISYDTIA-NHYWBVRUSA-N 2 1 296.415 -0.441 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2(C[NH2+]CC(N)=O)CCCCC2)C1 ZINC001378417403 898330501 /nfs/dbraw/zinc/33/05/01/898330501.db2.gz PKDKFUVGKGRYCL-LBPRGKRZSA-N 2 1 296.415 -0.168 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378517019 898339796 /nfs/dbraw/zinc/33/97/96/898339796.db2.gz LPTVIQNMZWCACM-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]CC(=O)N1CCC1 ZINC001378556584 898350754 /nfs/dbraw/zinc/35/07/54/898350754.db2.gz OGXLEXKBDDSWNF-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001378548331 898353517 /nfs/dbraw/zinc/35/35/17/898353517.db2.gz DTVYZDWYUABLHE-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1nnn(C)n1)[NH+](C)C ZINC001378580141 898360403 /nfs/dbraw/zinc/36/04/03/898360403.db2.gz NNRDWGHYECWOBH-GHMZBOCLSA-N 2 1 297.407 -0.608 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378643185 898378309 /nfs/dbraw/zinc/37/83/09/898378309.db2.gz JXWADJIEOPKLHE-STQMWFEESA-N 2 1 298.431 -0.242 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001378747428 898403426 /nfs/dbraw/zinc/40/34/26/898403426.db2.gz HHZZIICFPPATAN-SYQHCUMBSA-N 2 1 281.400 -0.386 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001378747428 898403431 /nfs/dbraw/zinc/40/34/31/898403431.db2.gz HHZZIICFPPATAN-SYQHCUMBSA-N 2 1 281.400 -0.386 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001378747428 898403439 /nfs/dbraw/zinc/40/34/39/898403439.db2.gz HHZZIICFPPATAN-SYQHCUMBSA-N 2 1 281.400 -0.386 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCO)C1 ZINC001378765109 898406291 /nfs/dbraw/zinc/40/62/91/898406291.db2.gz QDMOXYKUKIOWQK-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001378844748 898422569 /nfs/dbraw/zinc/42/25/69/898422569.db2.gz QPCBJPUSBJVZGH-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001378844746 898424139 /nfs/dbraw/zinc/42/41/39/898424139.db2.gz QPCBJPUSBJVZGH-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001378841679 898424393 /nfs/dbraw/zinc/42/43/93/898424393.db2.gz QHMJHKSYRRCBGW-FDYHWXHSSA-N 2 1 296.415 -0.171 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001378876912 898427489 /nfs/dbraw/zinc/42/74/89/898427489.db2.gz MINPXEJWZNVFGD-SYQHCUMBSA-N 2 1 299.415 -0.570 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)CC(=O)NC)CC1 ZINC001378935911 898433978 /nfs/dbraw/zinc/43/39/78/898433978.db2.gz XFELTHGCGZQJIP-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)CC(=O)NC)CC1 ZINC001378935911 898433984 /nfs/dbraw/zinc/43/39/84/898433984.db2.gz XFELTHGCGZQJIP-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)CC(=O)NC)CC1 ZINC001378935911 898433993 /nfs/dbraw/zinc/43/39/93/898433993.db2.gz XFELTHGCGZQJIP-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001379094739 898466602 /nfs/dbraw/zinc/46/66/02/898466602.db2.gz DIXPARSDZZIYDH-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001379094739 898466610 /nfs/dbraw/zinc/46/66/10/898466610.db2.gz DIXPARSDZZIYDH-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001379094739 898466617 /nfs/dbraw/zinc/46/66/17/898466617.db2.gz DIXPARSDZZIYDH-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001379094739 898466621 /nfs/dbraw/zinc/46/66/21/898466621.db2.gz DIXPARSDZZIYDH-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001379191108 898497631 /nfs/dbraw/zinc/49/76/31/898497631.db2.gz PADIWMOWPJNEIH-ONGXEEELSA-N 2 1 281.360 -0.498 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnns1 ZINC001379188142 898497883 /nfs/dbraw/zinc/49/78/83/898497883.db2.gz LTAZRMPABZGEAU-MWLCHTKSSA-N 2 1 299.400 -0.801 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nccs1 ZINC001379227423 898513866 /nfs/dbraw/zinc/51/38/66/898513866.db2.gz LVZKMBUXNQIGBZ-GHMZBOCLSA-N 2 1 298.412 -0.196 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nccs1 ZINC001379227423 898513872 /nfs/dbraw/zinc/51/38/72/898513872.db2.gz LVZKMBUXNQIGBZ-GHMZBOCLSA-N 2 1 298.412 -0.196 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001379285931 898536756 /nfs/dbraw/zinc/53/67/56/898536756.db2.gz NSXOHESBRNSZGP-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cscn2)C1 ZINC001379292020 898539227 /nfs/dbraw/zinc/53/92/27/898539227.db2.gz UAUXMRQAKBAQEL-PWSUYJOCSA-N 2 1 298.412 -0.339 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cscn2)C1 ZINC001379292020 898539243 /nfs/dbraw/zinc/53/92/43/898539243.db2.gz UAUXMRQAKBAQEL-PWSUYJOCSA-N 2 1 298.412 -0.339 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cscn2)C1 ZINC001379292027 898540049 /nfs/dbraw/zinc/54/00/49/898540049.db2.gz UAUXMRQAKBAQEL-ZYHUDNBSSA-N 2 1 298.412 -0.339 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cscn2)C1 ZINC001379292027 898540058 /nfs/dbraw/zinc/54/00/58/898540058.db2.gz UAUXMRQAKBAQEL-ZYHUDNBSSA-N 2 1 298.412 -0.339 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001379325710 898552901 /nfs/dbraw/zinc/55/29/01/898552901.db2.gz LHFINHKHKIYTHV-JQWIXIFHSA-N 2 1 293.371 -0.483 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001379371993 898588423 /nfs/dbraw/zinc/58/84/23/898588423.db2.gz MIRJODGGMWBGGT-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001379384921 898593722 /nfs/dbraw/zinc/59/37/22/898593722.db2.gz YJRBRXCLGAINLB-GHMZBOCLSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001379410975 898604111 /nfs/dbraw/zinc/60/41/11/898604111.db2.gz FSJHHMKTUMLQIM-IJLUTSLNSA-N 2 1 282.388 -0.547 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)cn1 ZINC001379469438 898625405 /nfs/dbraw/zinc/62/54/05/898625405.db2.gz NKKGTVGNKIWWOB-ZDUSSCGKSA-N 2 1 298.362 -0.261 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]C[C@@H](C)O ZINC001379479310 898632586 /nfs/dbraw/zinc/63/25/86/898632586.db2.gz BXRLTSCHYBZIOP-NEPJUHHUSA-N 2 1 298.387 -0.546 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[N@H+](C)C1CCC1 ZINC001379517261 898650034 /nfs/dbraw/zinc/65/00/34/898650034.db2.gz SSESEOJNWRVQFL-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001379517261 898650039 /nfs/dbraw/zinc/65/00/39/898650039.db2.gz SSESEOJNWRVQFL-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001379517819 898650159 /nfs/dbraw/zinc/65/01/59/898650159.db2.gz DOODHAQYSLWDPH-YNEHKIRRSA-N 2 1 287.404 -0.428 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cncn1C ZINC001379527011 898657822 /nfs/dbraw/zinc/65/78/22/898657822.db2.gz SPSQUBGTZZKZGR-LBPRGKRZSA-N 2 1 297.403 -0.673 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)C1CC[NH+](C)CC1 ZINC001379553298 898663818 /nfs/dbraw/zinc/66/38/18/898663818.db2.gz RXKLSUOKWFFVNM-NSHDSACASA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379583981 898673923 /nfs/dbraw/zinc/67/39/23/898673923.db2.gz ZZYBDNNGFBNFHK-NWDGAFQWSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001379599319 898677289 /nfs/dbraw/zinc/67/72/89/898677289.db2.gz MOYJJWPABNBAQF-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001379598227 898678136 /nfs/dbraw/zinc/67/81/36/898678136.db2.gz KGLOADPUEBIBEC-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001379602276 898682731 /nfs/dbraw/zinc/68/27/31/898682731.db2.gz YGVGQSVSTRLCNZ-GXSJLCMTSA-N 2 1 280.376 -0.341 20 0 CBADMP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001379602276 898682743 /nfs/dbraw/zinc/68/27/43/898682743.db2.gz YGVGQSVSTRLCNZ-GXSJLCMTSA-N 2 1 280.376 -0.341 20 0 CBADMP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001379602280 898682884 /nfs/dbraw/zinc/68/28/84/898682884.db2.gz YGVGQSVSTRLCNZ-ONGXEEELSA-N 2 1 280.376 -0.341 20 0 CBADMP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001379602280 898682895 /nfs/dbraw/zinc/68/28/95/898682895.db2.gz YGVGQSVSTRLCNZ-ONGXEEELSA-N 2 1 280.376 -0.341 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CC(N)=O ZINC001379653306 898695438 /nfs/dbraw/zinc/69/54/38/898695438.db2.gz IOKGYOPPAJDGDM-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1CC(N)=O ZINC001379653306 898695446 /nfs/dbraw/zinc/69/54/46/898695446.db2.gz IOKGYOPPAJDGDM-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H](C)C(N)=O ZINC001379798796 898731601 /nfs/dbraw/zinc/73/16/01/898731601.db2.gz NQSQBFZREGMVOW-WDEREUQCSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H](C)C(N)=O ZINC001379798796 898731613 /nfs/dbraw/zinc/73/16/13/898731613.db2.gz NQSQBFZREGMVOW-WDEREUQCSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001379798796 898731619 /nfs/dbraw/zinc/73/16/19/898731619.db2.gz NQSQBFZREGMVOW-WDEREUQCSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001379798796 898731629 /nfs/dbraw/zinc/73/16/29/898731629.db2.gz NQSQBFZREGMVOW-WDEREUQCSA-N 2 1 272.393 -0.363 20 0 CBADMP Cc1nonc1C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001379836272 898738825 /nfs/dbraw/zinc/73/88/25/898738825.db2.gz JQJXPODWDPSNDO-LLVKDONJSA-N 2 1 299.375 -0.761 20 0 CBADMP Cn1ncnc1C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001379890952 898754588 /nfs/dbraw/zinc/75/45/88/898754588.db2.gz GBQPMDDDUGQWDM-GFCCVEGCSA-N 2 1 294.403 -0.249 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001380099290 898807492 /nfs/dbraw/zinc/80/74/92/898807492.db2.gz CMFSGFKSAKZFBZ-NSHDSACASA-N 2 1 296.415 -0.156 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2(NCc3cnon3)CC2)C1 ZINC001380170289 898825258 /nfs/dbraw/zinc/82/52/58/898825258.db2.gz RAEVHBXKPUUCSS-JTQLQIEISA-N 2 1 279.344 -0.240 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1 ZINC001380159917 898825852 /nfs/dbraw/zinc/82/58/52/898825852.db2.gz NTLGUWKQWCLERW-SNVBAGLBSA-N 2 1 270.377 -0.560 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2(NCc3cnon3)CC2)C1 ZINC001380170297 898826338 /nfs/dbraw/zinc/82/63/38/898826338.db2.gz RAEVHBXKPUUCSS-SNVBAGLBSA-N 2 1 279.344 -0.240 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1(NCc2cnn(C)n2)CC1 ZINC001380173253 898827673 /nfs/dbraw/zinc/82/76/73/898827673.db2.gz WCDXHUXWGRROAH-UHFFFAOYSA-N 2 1 294.403 -0.106 20 0 CBADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001380165072 898827827 /nfs/dbraw/zinc/82/78/27/898827827.db2.gz GZPXGYZHRJAMME-UHFFFAOYSA-N 2 1 293.371 -0.483 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001380400843 898872965 /nfs/dbraw/zinc/87/29/65/898872965.db2.gz VATFTWJHVJSKCQ-JMSVASOKSA-N 2 1 296.415 -0.360 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001380539432 898895386 /nfs/dbraw/zinc/89/53/86/898895386.db2.gz UMRLWPKGGPRNGG-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001380539432 898895393 /nfs/dbraw/zinc/89/53/93/898895393.db2.gz UMRLWPKGGPRNGG-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001380539432 898895403 /nfs/dbraw/zinc/89/54/03/898895403.db2.gz UMRLWPKGGPRNGG-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP COC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380552920 898896525 /nfs/dbraw/zinc/89/65/25/898896525.db2.gz MBUOCANPHHEXSY-GXTWGEPZSA-N 2 1 287.404 -0.474 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001380570242 898901989 /nfs/dbraw/zinc/90/19/89/898901989.db2.gz HAIBOXMBBJYQTP-AWEZNQCLSA-N 2 1 287.379 -0.005 20 0 CBADMP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001380565850 898902550 /nfs/dbraw/zinc/90/25/50/898902550.db2.gz JOFJTQGTQBRTFH-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001380565850 898902558 /nfs/dbraw/zinc/90/25/58/898902558.db2.gz JOFJTQGTQBRTFH-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001380565850 898902567 /nfs/dbraw/zinc/90/25/67/898902567.db2.gz JOFJTQGTQBRTFH-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001380565850 898902572 /nfs/dbraw/zinc/90/25/72/898902572.db2.gz JOFJTQGTQBRTFH-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP Cn1ncnc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001380880407 898963644 /nfs/dbraw/zinc/96/36/44/898963644.db2.gz WJQNFCGDSZGVEA-UHFFFAOYSA-N 2 1 294.403 -0.105 20 0 CBADMP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001380897392 898967177 /nfs/dbraw/zinc/96/71/77/898967177.db2.gz NXPFNCGDLLYLNH-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC(=O)NC)CCC1 ZINC001380892063 898967438 /nfs/dbraw/zinc/96/74/38/898967438.db2.gz FHLRMBZKQZHGPN-UHFFFAOYSA-N 2 1 284.404 -0.297 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC001380909056 898969887 /nfs/dbraw/zinc/96/98/87/898969887.db2.gz BFZYBSITLQRZME-WCQYABFASA-N 2 1 296.371 -0.611 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@H](C)C1 ZINC001381169047 899007227 /nfs/dbraw/zinc/00/72/27/899007227.db2.gz IAFIGMRGWLWPHV-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@H](C)C1 ZINC001381169047 899007238 /nfs/dbraw/zinc/00/72/38/899007238.db2.gz IAFIGMRGWLWPHV-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC001381169047 899007250 /nfs/dbraw/zinc/00/72/50/899007250.db2.gz IAFIGMRGWLWPHV-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC001381169047 899007262 /nfs/dbraw/zinc/00/72/62/899007262.db2.gz IAFIGMRGWLWPHV-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001381305068 899027392 /nfs/dbraw/zinc/02/73/92/899027392.db2.gz WWCCTTCQGIFIGQ-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001381305068 899027401 /nfs/dbraw/zinc/02/74/01/899027401.db2.gz WWCCTTCQGIFIGQ-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ncnn1C ZINC001381440632 899048824 /nfs/dbraw/zinc/04/88/24/899048824.db2.gz CNYIGTVWYRKBIO-NWDGAFQWSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CC(=O)NC1CC1 ZINC001381563867 899083381 /nfs/dbraw/zinc/08/33/81/899083381.db2.gz ILOZJRZDLLLVPQ-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CC(=O)NC1CC1 ZINC001381563867 899083397 /nfs/dbraw/zinc/08/33/97/899083397.db2.gz ILOZJRZDLLLVPQ-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CC(=O)NC1CC1 ZINC001381563867 899083410 /nfs/dbraw/zinc/08/34/10/899083410.db2.gz ILOZJRZDLLLVPQ-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CC(=O)NC1CC1 ZINC001381563867 899083422 /nfs/dbraw/zinc/08/34/22/899083422.db2.gz ILOZJRZDLLLVPQ-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001381564679 899084803 /nfs/dbraw/zinc/08/48/03/899084803.db2.gz LRLJCCCNDDMQAD-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)CC(=O)N1CCC1 ZINC001381597095 899090055 /nfs/dbraw/zinc/09/00/55/899090055.db2.gz FNZSZCHXZXKEJP-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)CC(=O)N1CCC1 ZINC001381597095 899090072 /nfs/dbraw/zinc/09/00/72/899090072.db2.gz FNZSZCHXZXKEJP-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N1CCC1 ZINC001381597095 899090088 /nfs/dbraw/zinc/09/00/88/899090088.db2.gz FNZSZCHXZXKEJP-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N1CCC1 ZINC001381597095 899090100 /nfs/dbraw/zinc/09/01/00/899090100.db2.gz FNZSZCHXZXKEJP-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC(=O)NC ZINC001381621123 899094924 /nfs/dbraw/zinc/09/49/24/899094924.db2.gz FWJVDYHXPSJCDI-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC(=O)NC ZINC001381621123 899094938 /nfs/dbraw/zinc/09/49/38/899094938.db2.gz FWJVDYHXPSJCDI-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC ZINC001381621123 899094952 /nfs/dbraw/zinc/09/49/52/899094952.db2.gz FWJVDYHXPSJCDI-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC ZINC001381621123 899094965 /nfs/dbraw/zinc/09/49/65/899094965.db2.gz FWJVDYHXPSJCDI-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001381617818 899098109 /nfs/dbraw/zinc/09/81/09/899098109.db2.gz GYJVHNHHSMZTRX-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001381617818 899098122 /nfs/dbraw/zinc/09/81/22/899098122.db2.gz GYJVHNHHSMZTRX-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001381617818 899098136 /nfs/dbraw/zinc/09/81/36/899098136.db2.gz GYJVHNHHSMZTRX-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001381617818 899098152 /nfs/dbraw/zinc/09/81/52/899098152.db2.gz GYJVHNHHSMZTRX-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@H](C)C(=O)NC)C1 ZINC001381812676 899116334 /nfs/dbraw/zinc/11/63/34/899116334.db2.gz NCSANQDJYNLGCO-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@H](C)C(=O)NC)C1 ZINC001381812676 899116344 /nfs/dbraw/zinc/11/63/44/899116344.db2.gz NCSANQDJYNLGCO-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP 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 899127494 /nfs/dbraw/zinc/12/74/94/899127494.db2.gz GAWPVGMYNGAOPC-LPWJVIDDSA-N 2 1 294.399 -0.893 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001381903493 899127500 /nfs/dbraw/zinc/12/75/00/899127500.db2.gz GAWPVGMYNGAOPC-LPWJVIDDSA-N 2 1 294.399 -0.893 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001381903493 899127507 /nfs/dbraw/zinc/12/75/07/899127507.db2.gz GAWPVGMYNGAOPC-LPWJVIDDSA-N 2 1 294.399 -0.893 20 0 CBADMP C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001381916359 899131440 /nfs/dbraw/zinc/13/14/40/899131440.db2.gz GNJUSAMBMHWRBA-GXTWGEPZSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001381969506 899137348 /nfs/dbraw/zinc/13/73/48/899137348.db2.gz BUVDXFCDAKFQNU-IJLUTSLNSA-N 2 1 282.388 -0.702 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001382028302 899142508 /nfs/dbraw/zinc/14/25/08/899142508.db2.gz CEAREZGIBLXCDA-WCQYABFASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001382051028 899146435 /nfs/dbraw/zinc/14/64/35/899146435.db2.gz NQYXRBULVJWLNF-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001382063975 899148801 /nfs/dbraw/zinc/14/88/01/899148801.db2.gz CRZSPZAAAOXOFJ-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001382142582 899164636 /nfs/dbraw/zinc/16/46/36/899164636.db2.gz OQEQIHUNAYUXOD-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1ccns1 ZINC001382231294 899201264 /nfs/dbraw/zinc/20/12/64/899201264.db2.gz BFFMFJBGDYYSIT-SNVBAGLBSA-N 2 1 286.401 -0.339 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1ccns1 ZINC001382231292 899203351 /nfs/dbraw/zinc/20/33/51/899203351.db2.gz BFFMFJBGDYYSIT-JTQLQIEISA-N 2 1 286.401 -0.339 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCF)CC[N@H+]1C ZINC001382239377 899206617 /nfs/dbraw/zinc/20/66/17/899206617.db2.gz VSGWLRDMCRGWGJ-SRVKXCTJSA-N 2 1 275.368 -0.247 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001382302412 899239917 /nfs/dbraw/zinc/23/99/17/899239917.db2.gz JGGQTCUPHRLBTF-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001382369154 899260557 /nfs/dbraw/zinc/26/05/57/899260557.db2.gz NSJXJRAJBFTGPD-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001382450996 899301664 /nfs/dbraw/zinc/30/16/64/899301664.db2.gz OBRQHFZORBFXFM-NEPJUHHUSA-N 2 1 273.377 -0.912 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001382450996 899301679 /nfs/dbraw/zinc/30/16/79/899301679.db2.gz OBRQHFZORBFXFM-NEPJUHHUSA-N 2 1 273.377 -0.912 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001382450996 899301694 /nfs/dbraw/zinc/30/16/94/899301694.db2.gz OBRQHFZORBFXFM-NEPJUHHUSA-N 2 1 273.377 -0.912 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001382450996 899301707 /nfs/dbraw/zinc/30/17/07/899301707.db2.gz OBRQHFZORBFXFM-NEPJUHHUSA-N 2 1 273.377 -0.912 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)C[NH+]1CCCC1 ZINC001455457981 914365512 /nfs/dbraw/zinc/36/55/12/914365512.db2.gz AINIWCYZIRFDGL-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CC[NH+](C)C ZINC001386194467 899634142 /nfs/dbraw/zinc/63/41/42/899634142.db2.gz GJRXBEKHCKYNBR-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)C[NH+]1CCCC1 ZINC001386888254 899725469 /nfs/dbraw/zinc/72/54/69/899725469.db2.gz HLTGMEWYCRZTPO-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001387733704 899824543 /nfs/dbraw/zinc/82/45/43/899824543.db2.gz QGKLOJOCQPXKMZ-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1)[NH+](C)C ZINC001387823427 899837187 /nfs/dbraw/zinc/83/71/87/899837187.db2.gz UFVGMKOSDLAEOW-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001388649159 899894262 /nfs/dbraw/zinc/89/42/62/899894262.db2.gz JXUIZCZXWIIKBE-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001388649159 899894271 /nfs/dbraw/zinc/89/42/71/899894271.db2.gz JXUIZCZXWIIKBE-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001388672682 899898294 /nfs/dbraw/zinc/89/82/94/899898294.db2.gz QWKXCPHZDIGZMC-RQJABVFESA-N 2 1 299.415 -0.428 20 0 CBADMP CCN(CCNC(=O)CC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001455676729 914390453 /nfs/dbraw/zinc/39/04/53/914390453.db2.gz MNBIGCHRBVULSH-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001388690462 899901283 /nfs/dbraw/zinc/90/12/83/899901283.db2.gz SFBIFYOTBUJSOE-WUHRBBMRSA-N 2 1 296.415 -0.301 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001388745170 899909103 /nfs/dbraw/zinc/90/91/03/899909103.db2.gz PFRWEZMRVRSJHX-DLOVCJGASA-N 2 1 293.371 -0.450 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001389481834 900027272 /nfs/dbraw/zinc/02/72/72/900027272.db2.gz MSQCIOHBNWNYFS-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001389481834 900027278 /nfs/dbraw/zinc/02/72/78/900027278.db2.gz MSQCIOHBNWNYFS-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001389507775 900030129 /nfs/dbraw/zinc/03/01/29/900030129.db2.gz MKUXYDPJMFCJJY-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001389507775 900030141 /nfs/dbraw/zinc/03/01/41/900030141.db2.gz MKUXYDPJMFCJJY-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001389507775 900030153 /nfs/dbraw/zinc/03/01/53/900030153.db2.gz MKUXYDPJMFCJJY-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001389507775 900030164 /nfs/dbraw/zinc/03/01/64/900030164.db2.gz MKUXYDPJMFCJJY-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001389507772 900030499 /nfs/dbraw/zinc/03/04/99/900030499.db2.gz MKUXYDPJMFCJJY-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001389507772 900030511 /nfs/dbraw/zinc/03/05/11/900030511.db2.gz MKUXYDPJMFCJJY-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001389507772 900030522 /nfs/dbraw/zinc/03/05/22/900030522.db2.gz MKUXYDPJMFCJJY-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001389507772 900030531 /nfs/dbraw/zinc/03/05/31/900030531.db2.gz MKUXYDPJMFCJJY-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001389520559 900032846 /nfs/dbraw/zinc/03/28/46/900032846.db2.gz ZDJULARUIXYVQD-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001389520549 900033630 /nfs/dbraw/zinc/03/36/30/900033630.db2.gz ZDJULARUIXYVQD-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001389719343 900062299 /nfs/dbraw/zinc/06/22/99/900062299.db2.gz OPDIIWNGNGPHHT-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001389910446 900090053 /nfs/dbraw/zinc/09/00/53/900090053.db2.gz GDYHBLKBBSRTGJ-DLOVCJGASA-N 2 1 293.371 -0.437 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001389952475 900099110 /nfs/dbraw/zinc/09/91/10/900099110.db2.gz AXDCRCSZNVAYQC-TUAOUCFPSA-N 2 1 282.388 -0.417 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001389977592 900101867 /nfs/dbraw/zinc/10/18/67/900101867.db2.gz UJIQJVLIJAJZMW-FVCCEPFGSA-N 2 1 296.415 -0.301 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001390010713 900103482 /nfs/dbraw/zinc/10/34/82/900103482.db2.gz GWHMUWYFLILHIH-WHOHXGKFSA-N 2 1 282.388 -0.691 20 0 CBADMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001390053388 900109388 /nfs/dbraw/zinc/10/93/88/900109388.db2.gz BDUQBTHPUURQAZ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001390074988 900111355 /nfs/dbraw/zinc/11/13/55/900111355.db2.gz VKBPZQBQNIBKHT-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001390074988 900111361 /nfs/dbraw/zinc/11/13/61/900111361.db2.gz VKBPZQBQNIBKHT-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001390074988 900111367 /nfs/dbraw/zinc/11/13/67/900111367.db2.gz VKBPZQBQNIBKHT-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001390074988 900111373 /nfs/dbraw/zinc/11/13/73/900111373.db2.gz VKBPZQBQNIBKHT-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001390322246 900137164 /nfs/dbraw/zinc/13/71/64/900137164.db2.gz WIDVPGQAZHOWEM-ZYHUDNBSSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001390322246 900137169 /nfs/dbraw/zinc/13/71/69/900137169.db2.gz WIDVPGQAZHOWEM-ZYHUDNBSSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001390322239 900139179 /nfs/dbraw/zinc/13/91/79/900139179.db2.gz WIDVPGQAZHOWEM-JQWIXIFHSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001390322239 900139182 /nfs/dbraw/zinc/13/91/82/900139182.db2.gz WIDVPGQAZHOWEM-JQWIXIFHSA-N 2 1 280.376 -0.496 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001390402030 900150722 /nfs/dbraw/zinc/15/07/22/900150722.db2.gz PPLZQAWKSHWKCH-YPMHNXCESA-N 2 1 296.419 -0.004 20 0 CBADMP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cn(C)nn1 ZINC001390467455 900170995 /nfs/dbraw/zinc/17/09/95/900170995.db2.gz MMGKUHMCXGFQKS-NSHDSACASA-N 2 1 294.403 -0.249 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001390487092 900172433 /nfs/dbraw/zinc/17/24/33/900172433.db2.gz XOPHVYLABMAMOC-NEPJUHHUSA-N 2 1 284.404 -0.171 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cnnn1C ZINC001390512525 900180423 /nfs/dbraw/zinc/18/04/23/900180423.db2.gz WSGDKXMEQUQZCF-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+][C@H]1CCCNC1=O ZINC001390514388 900181057 /nfs/dbraw/zinc/18/10/57/900181057.db2.gz AGPRRZKBHMLIFA-PWSUYJOCSA-N 2 1 293.371 -0.436 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001390516107 900181150 /nfs/dbraw/zinc/18/11/50/900181150.db2.gz CVCPJMFYCXDISD-NSHDSACASA-N 2 1 295.387 -0.188 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCn1cccn1 ZINC001390524273 900183077 /nfs/dbraw/zinc/18/30/77/900183077.db2.gz XBKVKPSVCYAUHQ-QWHCGFSZSA-N 2 1 279.388 -0.071 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001390548856 900187361 /nfs/dbraw/zinc/18/73/61/900187361.db2.gz FXQJTZSTQLKTCT-STQMWFEESA-N 2 1 294.399 -0.450 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001390564383 900190074 /nfs/dbraw/zinc/19/00/74/900190074.db2.gz AIIARFTXFLBMNJ-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001390601810 900195679 /nfs/dbraw/zinc/19/56/79/900195679.db2.gz CVHMLMKMROBFCJ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@H]([NH2+][C@@H](C)CCNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001390684049 900208452 /nfs/dbraw/zinc/20/84/52/900208452.db2.gz XQEJSUHSJKEMNX-JQWIXIFHSA-N 2 1 295.387 -0.060 20 0 CBADMP CC[C@H]([NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001390720592 900216446 /nfs/dbraw/zinc/21/64/46/900216446.db2.gz XYQOLAOXABDKIQ-JQWIXIFHSA-N 2 1 295.387 -0.060 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001390732239 900220637 /nfs/dbraw/zinc/22/06/37/900220637.db2.gz NZZQEMQUSUCYKC-LLVKDONJSA-N 2 1 297.407 -0.465 20 0 CBADMP CN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2CCCC[NH+]2C)C1=O ZINC001390783506 900247743 /nfs/dbraw/zinc/24/77/43/900247743.db2.gz LJBWJZJITZJIAK-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2CCCC[NH+]2C)C1=O ZINC001390783506 900247757 /nfs/dbraw/zinc/24/77/57/900247757.db2.gz LJBWJZJITZJIAK-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001390783506 900247772 /nfs/dbraw/zinc/24/77/72/900247772.db2.gz LJBWJZJITZJIAK-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001390783506 900247788 /nfs/dbraw/zinc/24/77/88/900247788.db2.gz LJBWJZJITZJIAK-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001390808988 900251282 /nfs/dbraw/zinc/25/12/82/900251282.db2.gz FRNKSCAVZNPZNZ-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001390808988 900251295 /nfs/dbraw/zinc/25/12/95/900251295.db2.gz FRNKSCAVZNPZNZ-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@H](C(=O)NC1CC1)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001390859916 900264357 /nfs/dbraw/zinc/26/43/57/900264357.db2.gz IUOWZLCFCQTNOP-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001390859916 900264367 /nfs/dbraw/zinc/26/43/67/900264367.db2.gz IUOWZLCFCQTNOP-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001390859916 900264380 /nfs/dbraw/zinc/26/43/80/900264380.db2.gz IUOWZLCFCQTNOP-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C(=O)NC1CC1)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390859916 900264396 /nfs/dbraw/zinc/26/43/96/900264396.db2.gz IUOWZLCFCQTNOP-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C(=O)NC1CC1)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001390859916 900264407 /nfs/dbraw/zinc/26/44/07/900264407.db2.gz IUOWZLCFCQTNOP-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@@H]1CCCN(C)C1=O ZINC001390843236 900268885 /nfs/dbraw/zinc/26/88/85/900268885.db2.gz KRWOLKHKOSHWDY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@@H]1CCCN(C)C1=O ZINC001390843236 900268892 /nfs/dbraw/zinc/26/88/92/900268892.db2.gz KRWOLKHKOSHWDY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@@H]1CCCN(C)C1=O ZINC001390843236 900268900 /nfs/dbraw/zinc/26/89/00/900268900.db2.gz KRWOLKHKOSHWDY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC001390843236 900268912 /nfs/dbraw/zinc/26/89/12/900268912.db2.gz KRWOLKHKOSHWDY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCn1cncn1 ZINC001390888995 900279059 /nfs/dbraw/zinc/27/90/59/900279059.db2.gz OIXSRHKPHJHLAT-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CCn1cncn1 ZINC001390888995 900279073 /nfs/dbraw/zinc/27/90/73/900279073.db2.gz OIXSRHKPHJHLAT-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CCn1cncn1 ZINC001390888995 900279088 /nfs/dbraw/zinc/27/90/88/900279088.db2.gz OIXSRHKPHJHLAT-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)C(N)=O ZINC001390903103 900281756 /nfs/dbraw/zinc/28/17/56/900281756.db2.gz KZQGDRZQDADYKL-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)C(N)=O ZINC001390903103 900281771 /nfs/dbraw/zinc/28/17/71/900281771.db2.gz KZQGDRZQDADYKL-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](C)C(N)=O ZINC001390903103 900281777 /nfs/dbraw/zinc/28/17/77/900281777.db2.gz KZQGDRZQDADYKL-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](C)C(N)=O ZINC001390903103 900281791 /nfs/dbraw/zinc/28/17/91/900281791.db2.gz KZQGDRZQDADYKL-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCN1[C@@H](C)C(N)=O ZINC001391067162 900301031 /nfs/dbraw/zinc/30/10/31/900301031.db2.gz IPHDOKSIXIMAKN-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@@H](C)C(N)=O ZINC001391067162 900301043 /nfs/dbraw/zinc/30/10/43/900301043.db2.gz IPHDOKSIXIMAKN-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@@H](C)C(N)=O ZINC001391067162 900301055 /nfs/dbraw/zinc/30/10/55/900301055.db2.gz IPHDOKSIXIMAKN-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001391067162 900301062 /nfs/dbraw/zinc/30/10/62/900301062.db2.gz IPHDOKSIXIMAKN-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001391060596 900301116 /nfs/dbraw/zinc/30/11/16/900301116.db2.gz IVXWOPYVXYFRSS-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001391060596 900301134 /nfs/dbraw/zinc/30/11/34/900301134.db2.gz IVXWOPYVXYFRSS-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H](C)C(N)=O ZINC001391135391 900317818 /nfs/dbraw/zinc/31/78/18/900317818.db2.gz JDRIPIDYHIZTKT-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@@H](C)C(N)=O ZINC001391135391 900317829 /nfs/dbraw/zinc/31/78/29/900317829.db2.gz JDRIPIDYHIZTKT-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@@H](C)C(N)=O ZINC001391135391 900317839 /nfs/dbraw/zinc/31/78/39/900317839.db2.gz JDRIPIDYHIZTKT-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(N)=O ZINC001391140145 900320354 /nfs/dbraw/zinc/32/03/54/900320354.db2.gz JKKFVSHNDVENEQ-UHFFFAOYSA-N 2 1 282.388 -0.604 20 0 CBADMP CCC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(N)=O ZINC001391140145 900320366 /nfs/dbraw/zinc/32/03/66/900320366.db2.gz JKKFVSHNDVENEQ-UHFFFAOYSA-N 2 1 282.388 -0.604 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+]([C@H](C)C(N)=O)C1CC1)[NH+](C)C ZINC001391201865 900335867 /nfs/dbraw/zinc/33/58/67/900335867.db2.gz UHUMNCJJOVEOOE-PWSUYJOCSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H]([NH2+]CCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001391235160 900347482 /nfs/dbraw/zinc/34/74/82/900347482.db2.gz UVLRGCYIFJGLOP-JSGCOSHPSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H]([NH2+]CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001391235160 900347490 /nfs/dbraw/zinc/34/74/90/900347490.db2.gz UVLRGCYIFJGLOP-JSGCOSHPSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)[C@H](C)C(N)=O)C1 ZINC001391354406 900363583 /nfs/dbraw/zinc/36/35/83/900363583.db2.gz PEKMYLRYMINEDR-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)C(N)=O)C1 ZINC001391354406 900363588 /nfs/dbraw/zinc/36/35/88/900363588.db2.gz PEKMYLRYMINEDR-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001391354406 900363593 /nfs/dbraw/zinc/36/35/93/900363593.db2.gz PEKMYLRYMINEDR-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001391380812 900365103 /nfs/dbraw/zinc/36/51/03/900365103.db2.gz PNBONKQKYKXIDA-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001391380812 900365111 /nfs/dbraw/zinc/36/51/11/900365111.db2.gz PNBONKQKYKXIDA-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001391649231 900427118 /nfs/dbraw/zinc/42/71/18/900427118.db2.gz MCKXDLWVEZDMJT-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391649231 900427125 /nfs/dbraw/zinc/42/71/25/900427125.db2.gz MCKXDLWVEZDMJT-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001391649231 900427132 /nfs/dbraw/zinc/42/71/32/900427132.db2.gz MCKXDLWVEZDMJT-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001391649231 900427137 /nfs/dbraw/zinc/42/71/37/900427137.db2.gz MCKXDLWVEZDMJT-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001391668297 900429404 /nfs/dbraw/zinc/42/94/04/900429404.db2.gz VRAPPFXXMVCZLS-WCQYABFASA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001391720231 900438271 /nfs/dbraw/zinc/43/82/71/900438271.db2.gz RKVNXLYUZGGEFV-WDEREUQCSA-N 2 1 295.391 -0.711 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001391720231 900438285 /nfs/dbraw/zinc/43/82/85/900438285.db2.gz RKVNXLYUZGGEFV-WDEREUQCSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1nnn(C)n1 ZINC001391963609 900475418 /nfs/dbraw/zinc/47/54/18/900475418.db2.gz PIEUKBJVNCEKDV-GHMZBOCLSA-N 2 1 295.391 -0.996 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nnn(C)n1 ZINC001391963609 900475426 /nfs/dbraw/zinc/47/54/26/900475426.db2.gz PIEUKBJVNCEKDV-GHMZBOCLSA-N 2 1 295.391 -0.996 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001392047011 900499781 /nfs/dbraw/zinc/49/97/81/900499781.db2.gz CQGLFAQZJJMYEU-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001392125067 900519473 /nfs/dbraw/zinc/51/94/73/900519473.db2.gz VUGBHLGYUOPSIC-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001392246076 900538661 /nfs/dbraw/zinc/53/86/61/900538661.db2.gz JRJCPCVEQACIAL-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H]1CCN(C)C1=O ZINC001392321723 900562038 /nfs/dbraw/zinc/56/20/38/900562038.db2.gz IDJBULMSGCFJST-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H]1CCN(C)C1=O ZINC001392321723 900562049 /nfs/dbraw/zinc/56/20/49/900562049.db2.gz IDJBULMSGCFJST-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001392321723 900562057 /nfs/dbraw/zinc/56/20/57/900562057.db2.gz IDJBULMSGCFJST-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001392321723 900562070 /nfs/dbraw/zinc/56/20/70/900562070.db2.gz IDJBULMSGCFJST-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001392357292 900580812 /nfs/dbraw/zinc/58/08/12/900580812.db2.gz UNWTYFHRQNYWPA-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001392357293 900581736 /nfs/dbraw/zinc/58/17/36/900581736.db2.gz UNWTYFHRQNYWPA-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)CC1 ZINC001392397491 900602614 /nfs/dbraw/zinc/60/26/14/900602614.db2.gz VRZIGQXHWPCWRR-LBPRGKRZSA-N 2 1 296.371 -0.417 20 0 CBADMP Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392426505 900613553 /nfs/dbraw/zinc/61/35/53/900613553.db2.gz MTTUWCAGIOQPMZ-WCQYABFASA-N 2 1 296.371 -0.499 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001392424847 900614911 /nfs/dbraw/zinc/61/49/11/900614911.db2.gz KLQGLZOTAPBVMH-KGLIPLIRSA-N 2 1 292.383 -0.400 20 0 CBADMP Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392426503 900615129 /nfs/dbraw/zinc/61/51/29/900615129.db2.gz MTTUWCAGIOQPMZ-DGCLKSJQSA-N 2 1 296.371 -0.499 20 0 CBADMP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001392513088 900643487 /nfs/dbraw/zinc/64/34/87/900643487.db2.gz SDEUEIQJBUUICP-ZJUUUORDSA-N 2 1 283.380 -0.855 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001392564389 900661624 /nfs/dbraw/zinc/66/16/24/900661624.db2.gz VREDCRNWFNNVAC-GARJFASQSA-N 2 1 270.377 -0.704 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392583405 900667925 /nfs/dbraw/zinc/66/79/25/900667925.db2.gz QEGQKPRQPWBSCR-CMPLNLGQSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392583405 900667929 /nfs/dbraw/zinc/66/79/29/900667929.db2.gz QEGQKPRQPWBSCR-CMPLNLGQSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)C[NH+](C)C1CCC1 ZINC001392661285 900691514 /nfs/dbraw/zinc/69/15/14/900691514.db2.gz PCKQMEKDLOEZCG-MNOVXSKESA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)C[NH+](C)C1CCC1 ZINC001392661285 900691524 /nfs/dbraw/zinc/69/15/24/900691524.db2.gz PCKQMEKDLOEZCG-MNOVXSKESA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C[NH+](C)[C@@H](C)C(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001392661285 900691530 /nfs/dbraw/zinc/69/15/30/900691530.db2.gz PCKQMEKDLOEZCG-MNOVXSKESA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C[NH+](C)[C@@H](C)C(N)=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001392661285 900691540 /nfs/dbraw/zinc/69/15/40/900691540.db2.gz PCKQMEKDLOEZCG-MNOVXSKESA-N 2 1 284.404 -0.219 20 0 CBADMP COC[C@@H](O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392673974 900695651 /nfs/dbraw/zinc/69/56/51/900695651.db2.gz CRDVXHPXWAONAQ-FRRDWIJNSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001392673974 900695647 /nfs/dbraw/zinc/69/56/47/900695647.db2.gz CRDVXHPXWAONAQ-FRRDWIJNSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@@H](O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392673974 900695657 /nfs/dbraw/zinc/69/56/57/900695657.db2.gz CRDVXHPXWAONAQ-FRRDWIJNSA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001392682532 900699250 /nfs/dbraw/zinc/69/92/50/900699250.db2.gz FKVQOHXROIVYOL-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001392682532 900699254 /nfs/dbraw/zinc/69/92/54/900699254.db2.gz FKVQOHXROIVYOL-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001392682532 900699259 /nfs/dbraw/zinc/69/92/59/900699259.db2.gz FKVQOHXROIVYOL-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392682532 900699263 /nfs/dbraw/zinc/69/92/63/900699263.db2.gz FKVQOHXROIVYOL-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001392682371 900700785 /nfs/dbraw/zinc/70/07/85/900700785.db2.gz XILHFOHFCISDCQ-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001392682371 900700800 /nfs/dbraw/zinc/70/08/00/900700800.db2.gz XILHFOHFCISDCQ-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001392797612 900726519 /nfs/dbraw/zinc/72/65/19/900726519.db2.gz FTOTZYNNJCTEKN-QWHCGFSZSA-N 2 1 296.415 -0.301 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1 ZINC001392905938 900757830 /nfs/dbraw/zinc/75/78/30/900757830.db2.gz GQYDVERDGZXQGW-RYUDHWBXSA-N 2 1 296.415 -0.027 20 0 CBADMP NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001392937783 900767387 /nfs/dbraw/zinc/76/73/87/900767387.db2.gz CLAPSHWCMFRXIS-VXGBXAGGSA-N 2 1 294.399 -0.273 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001393058139 900785685 /nfs/dbraw/zinc/78/56/85/900785685.db2.gz WUOBUEDWGJPREC-LLVKDONJSA-N 2 1 279.344 -0.743 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CCCC2)C1 ZINC001393083296 900790756 /nfs/dbraw/zinc/79/07/56/900790756.db2.gz JGQNUIVOUUPVCD-OLZOCXBDSA-N 2 1 296.415 -0.312 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2(C)CC[NH+](CCO)CC2)C1 ZINC001393170826 900800109 /nfs/dbraw/zinc/80/01/09/900800109.db2.gz JFBSOEJMCMRZPS-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC2(C)CC[NH+](CCO)CC2)C1 ZINC001393170826 900800121 /nfs/dbraw/zinc/80/01/21/900800121.db2.gz JFBSOEJMCMRZPS-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001393270407 900822297 /nfs/dbraw/zinc/82/22/97/900822297.db2.gz FAXJEKARCCSFMO-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[NH+](CCF)C2)C1 ZINC001393280581 900827372 /nfs/dbraw/zinc/82/73/72/900827372.db2.gz FNWDWNYTCSMXAW-OCCSQVGLSA-N 2 1 287.379 -0.149 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[NH+](CCF)C2)C1 ZINC001393280581 900827383 /nfs/dbraw/zinc/82/73/83/900827383.db2.gz FNWDWNYTCSMXAW-OCCSQVGLSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)C1 ZINC001393280581 900827391 /nfs/dbraw/zinc/82/73/91/900827391.db2.gz FNWDWNYTCSMXAW-OCCSQVGLSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)C1 ZINC001393280581 900827401 /nfs/dbraw/zinc/82/74/01/900827401.db2.gz FNWDWNYTCSMXAW-OCCSQVGLSA-N 2 1 287.379 -0.149 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)C[NH+](CC3CC3)C2)C1 ZINC001393355368 900845705 /nfs/dbraw/zinc/84/57/05/900845705.db2.gz NQMFLRGQKAFOAW-ZDUSSCGKSA-N 2 1 281.400 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC2(O)C[NH+](CC3CC3)C2)C1 ZINC001393355368 900845714 /nfs/dbraw/zinc/84/57/14/900845714.db2.gz NQMFLRGQKAFOAW-ZDUSSCGKSA-N 2 1 281.400 -0.099 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC(N)=O)C2 ZINC001393373514 900848831 /nfs/dbraw/zinc/84/88/31/900848831.db2.gz VVWQQJPMBMJJTG-AVGNSLFASA-N 2 1 296.415 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(N)=O)C2 ZINC001393373514 900848842 /nfs/dbraw/zinc/84/88/42/900848842.db2.gz VVWQQJPMBMJJTG-AVGNSLFASA-N 2 1 296.415 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001393373514 900848853 /nfs/dbraw/zinc/84/88/53/900848853.db2.gz VVWQQJPMBMJJTG-AVGNSLFASA-N 2 1 296.415 -0.219 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001393594629 900884442 /nfs/dbraw/zinc/88/44/42/900884442.db2.gz KJSGIZCFLKUFSO-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001393643809 900886956 /nfs/dbraw/zinc/88/69/56/900886956.db2.gz JFOYQELXMYQBTB-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001393740724 900900212 /nfs/dbraw/zinc/90/02/12/900900212.db2.gz JACDGAHYYFMBRH-WDEREUQCSA-N 2 1 270.377 -0.752 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001393804307 900909344 /nfs/dbraw/zinc/90/93/44/900909344.db2.gz LBVLPITXUCUYBZ-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP CN(CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001393884509 900919803 /nfs/dbraw/zinc/91/98/03/900919803.db2.gz RKNNXSUSQKACTK-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(N)=O ZINC001393990301 900946687 /nfs/dbraw/zinc/94/66/87/900946687.db2.gz UPCSDJDYROJYIC-GHMZBOCLSA-N 2 1 295.387 -0.025 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)CC(=O)N1CCC1 ZINC001394105462 900976832 /nfs/dbraw/zinc/97/68/32/900976832.db2.gz UETOAWZNZOYFEM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)CC(=O)N1CCC1 ZINC001394105462 900976842 /nfs/dbraw/zinc/97/68/42/900976842.db2.gz UETOAWZNZOYFEM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@@H](C)C(N)=O ZINC001394139438 900985070 /nfs/dbraw/zinc/98/50/70/900985070.db2.gz WVHJYJZPESSBAK-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001394139438 900985077 /nfs/dbraw/zinc/98/50/77/900985077.db2.gz WVHJYJZPESSBAK-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001394254667 901003509 /nfs/dbraw/zinc/00/35/09/901003509.db2.gz PYAXLIOZVSWNQF-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001394255865 901005275 /nfs/dbraw/zinc/00/52/75/901005275.db2.gz VHBIFJAWWIBPBY-MNOVXSKESA-N 2 1 284.404 -0.491 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCO)C1 ZINC001394331417 901015120 /nfs/dbraw/zinc/01/51/20/901015120.db2.gz PCOSMMMIYPKGSV-WCQYABFASA-N 2 1 296.371 -0.611 20 0 CBADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001394373448 901020110 /nfs/dbraw/zinc/02/01/10/901020110.db2.gz ZXKWXODQBULCKM-BJDJZHNGSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001394368044 901020608 /nfs/dbraw/zinc/02/06/08/901020608.db2.gz MKILITZPZSZSQU-ZDEQEGDKSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001394368044 901020618 /nfs/dbraw/zinc/02/06/18/901020618.db2.gz MKILITZPZSZSQU-ZDEQEGDKSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001394500058 901037382 /nfs/dbraw/zinc/03/73/82/901037382.db2.gz HBPGJABLLKMRDZ-WCQYABFASA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001394500058 901037399 /nfs/dbraw/zinc/03/73/99/901037399.db2.gz HBPGJABLLKMRDZ-WCQYABFASA-N 2 1 294.403 -0.154 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001394499498 901039458 /nfs/dbraw/zinc/03/94/58/901039458.db2.gz FXVITVGAYHLJRY-JTQLQIEISA-N 2 1 281.360 -0.626 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CCO)CC(C)(C)C ZINC001394638309 901100443 /nfs/dbraw/zinc/10/04/43/901100443.db2.gz SOBPDTLNRZMQGG-LLVKDONJSA-N 2 1 275.393 -0.977 20 0 CBADMP Cc1cc(C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C(C)C)on1 ZINC001394645176 901103359 /nfs/dbraw/zinc/10/33/59/901103359.db2.gz KLUOQVSDJXEIGD-LBPRGKRZSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1cc(C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C(C)C)on1 ZINC001394645176 901103366 /nfs/dbraw/zinc/10/33/66/901103366.db2.gz KLUOQVSDJXEIGD-LBPRGKRZSA-N 2 1 298.387 -0.110 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001394662381 901112233 /nfs/dbraw/zinc/11/22/33/901112233.db2.gz MDCNKLCDPIEHPA-NWDGAFQWSA-N 2 1 293.371 -0.483 20 0 CBADMP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)on1 ZINC001394658585 901113264 /nfs/dbraw/zinc/11/32/64/901113264.db2.gz YCSFKSHVTXKDLT-NEPJUHHUSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)on1 ZINC001394658585 901113272 /nfs/dbraw/zinc/11/32/72/901113272.db2.gz YCSFKSHVTXKDLT-NEPJUHHUSA-N 2 1 296.371 -0.499 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001396939383 901348718 /nfs/dbraw/zinc/34/87/18/901348718.db2.gz OGFGZXYEVNKQHF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001397138834 901367100 /nfs/dbraw/zinc/36/71/00/901367100.db2.gz VMNAHJMOTBQUQI-AVGNSLFASA-N 2 1 298.431 -0.053 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001398228909 901509529 /nfs/dbraw/zinc/50/95/29/901509529.db2.gz FYLFQTKTWYAAAU-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001398228909 901509541 /nfs/dbraw/zinc/50/95/41/901509541.db2.gz FYLFQTKTWYAAAU-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001398341052 901527065 /nfs/dbraw/zinc/52/70/65/901527065.db2.gz USLXXLYBUIUARJ-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001398341052 901527076 /nfs/dbraw/zinc/52/70/76/901527076.db2.gz USLXXLYBUIUARJ-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001398534768 901551019 /nfs/dbraw/zinc/55/10/19/901551019.db2.gz TXZVFMBLBBCWRW-RYUDHWBXSA-N 2 1 282.388 -0.594 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001398551540 901557680 /nfs/dbraw/zinc/55/76/80/901557680.db2.gz DQTXIFMSVUHXCP-AAVRWANBSA-N 2 1 299.415 -0.428 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001398659955 901584328 /nfs/dbraw/zinc/58/43/28/901584328.db2.gz FQUYMVUADFILTQ-SDDRHHMPSA-N 2 1 282.388 -0.689 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001398660334 901585630 /nfs/dbraw/zinc/58/56/30/901585630.db2.gz BLXZJTZTBKANOX-PHIMTYICSA-N 2 1 295.391 -0.713 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001398660334 901585638 /nfs/dbraw/zinc/58/56/38/901585638.db2.gz BLXZJTZTBKANOX-PHIMTYICSA-N 2 1 295.391 -0.713 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001398753642 901599815 /nfs/dbraw/zinc/59/98/15/901599815.db2.gz LBHLCGMTIRXYHZ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001398753642 901599829 /nfs/dbraw/zinc/59/98/29/901599829.db2.gz LBHLCGMTIRXYHZ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001398753648 901600658 /nfs/dbraw/zinc/60/06/58/901600658.db2.gz LBHLCGMTIRXYHZ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001398753648 901600665 /nfs/dbraw/zinc/60/06/65/901600665.db2.gz LBHLCGMTIRXYHZ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCn1ncc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001398880739 901620269 /nfs/dbraw/zinc/62/02/69/901620269.db2.gz MEZQEBLWROLNDE-YPMHNXCESA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1ncc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001398880739 901620274 /nfs/dbraw/zinc/62/02/74/901620274.db2.gz MEZQEBLWROLNDE-YPMHNXCESA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1ncc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001398880724 901620497 /nfs/dbraw/zinc/62/04/97/901620497.db2.gz MEZQEBLWROLNDE-AAEUAGOBSA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1ncc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001398880724 901620506 /nfs/dbraw/zinc/62/05/06/901620506.db2.gz MEZQEBLWROLNDE-AAEUAGOBSA-N 2 1 294.403 -0.014 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nnnn1C1CC1 ZINC001399020224 901650696 /nfs/dbraw/zinc/65/06/96/901650696.db2.gz IVQVQSIOXZWGAG-JTQLQIEISA-N 2 1 295.391 -0.446 20 0 CBADMP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1nncn1C ZINC001399047339 901655020 /nfs/dbraw/zinc/65/50/20/901655020.db2.gz VXKZXFJYNQTFBA-NSHDSACASA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCN1CCCC1=O ZINC001399112861 901669138 /nfs/dbraw/zinc/66/91/38/901669138.db2.gz LYOFWUDNFINIAV-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399122282 901670896 /nfs/dbraw/zinc/67/08/96/901670896.db2.gz QXDWMCZAIOFNEP-GHMZBOCLSA-N 2 1 270.377 -0.832 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001399286758 901690431 /nfs/dbraw/zinc/69/04/31/901690431.db2.gz ISAOCJXEDDMIHL-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001399294981 901690912 /nfs/dbraw/zinc/69/09/12/901690912.db2.gz URTDRVDJOIBUSD-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@H+](CCCO)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001399296596 901690950 /nfs/dbraw/zinc/69/09/50/901690950.db2.gz LFJIMOZLFVKNLF-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@@H+](CCCO)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001399296596 901690956 /nfs/dbraw/zinc/69/09/56/901690956.db2.gz LFJIMOZLFVKNLF-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCCO)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001399296596 901690962 /nfs/dbraw/zinc/69/09/62/901690962.db2.gz LFJIMOZLFVKNLF-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCCO)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001399296596 901690969 /nfs/dbraw/zinc/69/09/69/901690969.db2.gz LFJIMOZLFVKNLF-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001399313187 901696579 /nfs/dbraw/zinc/69/65/79/901696579.db2.gz GGGTZYFAJBJZSB-NWDGAFQWSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001399324049 901698477 /nfs/dbraw/zinc/69/84/77/901698477.db2.gz QNJXJYZVANPRSH-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001399425423 901713398 /nfs/dbraw/zinc/71/33/98/901713398.db2.gz BEWZRQRUOORXQR-SNVBAGLBSA-N 2 1 281.360 -0.578 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001399489782 901735557 /nfs/dbraw/zinc/73/55/57/901735557.db2.gz VSBOLCNBCVUYGV-KBPBESRZSA-N 2 1 299.415 -0.617 20 0 CBADMP C[NH+](C)CC1(C(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001399571588 901746843 /nfs/dbraw/zinc/74/68/43/901746843.db2.gz SSHZOFDTROYCON-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001399571588 901746852 /nfs/dbraw/zinc/74/68/52/901746852.db2.gz SSHZOFDTROYCON-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCN(C)C1=O ZINC001399651940 901765475 /nfs/dbraw/zinc/76/54/75/901765475.db2.gz BEKKEVQLADJOHY-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCN(C)C1=O ZINC001399651940 901765486 /nfs/dbraw/zinc/76/54/86/901765486.db2.gz BEKKEVQLADJOHY-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001399651940 901765499 /nfs/dbraw/zinc/76/54/99/901765499.db2.gz BEKKEVQLADJOHY-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001399651940 901765510 /nfs/dbraw/zinc/76/55/10/901765510.db2.gz BEKKEVQLADJOHY-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCCNC1=O ZINC001399654224 901767115 /nfs/dbraw/zinc/76/71/15/901767115.db2.gz KYCBWYMYTJPXAZ-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCCNC1=O ZINC001399654224 901767122 /nfs/dbraw/zinc/76/71/22/901767122.db2.gz KYCBWYMYTJPXAZ-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCCNC1=O ZINC001399654224 901767127 /nfs/dbraw/zinc/76/71/27/901767127.db2.gz KYCBWYMYTJPXAZ-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCNC1=O ZINC001399654224 901767129 /nfs/dbraw/zinc/76/71/29/901767129.db2.gz KYCBWYMYTJPXAZ-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001399869544 901819582 /nfs/dbraw/zinc/81/95/82/901819582.db2.gz LAHZMZZLFSKXGT-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001399869544 901819595 /nfs/dbraw/zinc/81/95/95/901819595.db2.gz LAHZMZZLFSKXGT-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001399869544 901819605 /nfs/dbraw/zinc/81/96/05/901819605.db2.gz LAHZMZZLFSKXGT-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001399869544 901819617 /nfs/dbraw/zinc/81/96/17/901819617.db2.gz LAHZMZZLFSKXGT-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001399896772 901826984 /nfs/dbraw/zinc/82/69/84/901826984.db2.gz DBVWSNFHGCUYRP-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001399896772 901826992 /nfs/dbraw/zinc/82/69/92/901826992.db2.gz DBVWSNFHGCUYRP-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001399896772 901827003 /nfs/dbraw/zinc/82/70/03/901827003.db2.gz DBVWSNFHGCUYRP-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001399896772 901827017 /nfs/dbraw/zinc/82/70/17/901827017.db2.gz DBVWSNFHGCUYRP-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001399922080 901836153 /nfs/dbraw/zinc/83/61/53/901836153.db2.gz DBGCNSZNVJNSIZ-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001399919248 901836803 /nfs/dbraw/zinc/83/68/03/901836803.db2.gz AVJYSDLWOUHHHL-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001399919248 901836807 /nfs/dbraw/zinc/83/68/07/901836807.db2.gz AVJYSDLWOUHHHL-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001399919248 901836812 /nfs/dbraw/zinc/83/68/12/901836812.db2.gz AVJYSDLWOUHHHL-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001399932662 901839317 /nfs/dbraw/zinc/83/93/17/901839317.db2.gz UOCOJSMMZXJFKD-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001399932662 901839322 /nfs/dbraw/zinc/83/93/22/901839322.db2.gz UOCOJSMMZXJFKD-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001399932662 901839327 /nfs/dbraw/zinc/83/93/27/901839327.db2.gz UOCOJSMMZXJFKD-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP NC(=O)C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001400034356 901859336 /nfs/dbraw/zinc/85/93/36/901859336.db2.gz WOGQHDVZDITBJE-UHFFFAOYSA-N 2 1 280.372 -0.852 20 0 CBADMP NC(=O)C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001400034356 901859343 /nfs/dbraw/zinc/85/93/43/901859343.db2.gz WOGQHDVZDITBJE-UHFFFAOYSA-N 2 1 280.372 -0.852 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001400053505 901866669 /nfs/dbraw/zinc/86/66/69/901866669.db2.gz NUHYYAPYPGCWPA-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001400190851 901893864 /nfs/dbraw/zinc/89/38/64/901893864.db2.gz ZJNOXABKAWLGHB-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001400286471 901907438 /nfs/dbraw/zinc/90/74/38/901907438.db2.gz GEJKIWLFCAFERZ-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001400286471 901907447 /nfs/dbraw/zinc/90/74/47/901907447.db2.gz GEJKIWLFCAFERZ-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001400286471 901907459 /nfs/dbraw/zinc/90/74/59/901907459.db2.gz GEJKIWLFCAFERZ-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001400286474 901908751 /nfs/dbraw/zinc/90/87/51/901908751.db2.gz GEJKIWLFCAFERZ-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001400286474 901908760 /nfs/dbraw/zinc/90/87/60/901908760.db2.gz GEJKIWLFCAFERZ-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001400286474 901908765 /nfs/dbraw/zinc/90/87/65/901908765.db2.gz GEJKIWLFCAFERZ-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC001400631810 901985191 /nfs/dbraw/zinc/98/51/91/901985191.db2.gz YNECIKNISBMMCX-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](C[C@@H](O)COC)C1 ZINC001400631810 901985198 /nfs/dbraw/zinc/98/51/98/901985198.db2.gz YNECIKNISBMMCX-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001400631810 901985203 /nfs/dbraw/zinc/98/52/03/901985203.db2.gz YNECIKNISBMMCX-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001400661427 901992926 /nfs/dbraw/zinc/99/29/26/901992926.db2.gz IWNMIWWFROBICA-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001400661427 901992934 /nfs/dbraw/zinc/99/29/34/901992934.db2.gz IWNMIWWFROBICA-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001400661427 901992943 /nfs/dbraw/zinc/99/29/43/901992943.db2.gz IWNMIWWFROBICA-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001400661427 901992954 /nfs/dbraw/zinc/99/29/54/901992954.db2.gz IWNMIWWFROBICA-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001400711526 902001799 /nfs/dbraw/zinc/00/17/99/902001799.db2.gz SAZVRFCUEBKANM-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001400711526 902001806 /nfs/dbraw/zinc/00/18/06/902001806.db2.gz SAZVRFCUEBKANM-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001400772059 902012688 /nfs/dbraw/zinc/01/26/88/902012688.db2.gz WCNAZDGWEWVFDT-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001400772059 902012702 /nfs/dbraw/zinc/01/27/02/902012702.db2.gz WCNAZDGWEWVFDT-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001400797828 902017016 /nfs/dbraw/zinc/01/70/16/902017016.db2.gz ROZBDUDMUZGIAX-CYBMUJFWSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC ZINC001400805441 902022428 /nfs/dbraw/zinc/02/24/28/902022428.db2.gz UWXXGUOPMWPTEH-IJLUTSLNSA-N 2 1 284.404 -0.443 20 0 CBADMP CC[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NC ZINC001400873376 902033314 /nfs/dbraw/zinc/03/33/14/902033314.db2.gz ZRXHHPCGBJMFIY-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001401117832 902057628 /nfs/dbraw/zinc/05/76/28/902057628.db2.gz WZTWQVLBPFSMLN-NWDGAFQWSA-N 2 1 298.431 -0.053 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1 ZINC001401190859 902076731 /nfs/dbraw/zinc/07/67/31/902076731.db2.gz ZKSHUJKNLILQEY-NSHDSACASA-N 2 1 282.388 -0.558 20 0 CBADMP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001401258184 902097246 /nfs/dbraw/zinc/09/72/46/902097246.db2.gz KZLBDJBXOLJZBF-JQWIXIFHSA-N 2 1 295.387 -0.108 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001401376032 902114391 /nfs/dbraw/zinc/11/43/91/902114391.db2.gz NVVZNXJPNSUBSD-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001401376032 902114399 /nfs/dbraw/zinc/11/43/99/902114399.db2.gz NVVZNXJPNSUBSD-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001401372424 902116263 /nfs/dbraw/zinc/11/62/63/902116263.db2.gz ZVDFQHMBAWVWME-NSHDSACASA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001401372424 902116268 /nfs/dbraw/zinc/11/62/68/902116268.db2.gz ZVDFQHMBAWVWME-NSHDSACASA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001401372424 902116271 /nfs/dbraw/zinc/11/62/71/902116271.db2.gz ZVDFQHMBAWVWME-NSHDSACASA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001401372424 902116275 /nfs/dbraw/zinc/11/62/75/902116275.db2.gz ZVDFQHMBAWVWME-NSHDSACASA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001401388398 902117326 /nfs/dbraw/zinc/11/73/26/902117326.db2.gz OODNRCJATADUSW-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001401388398 902117338 /nfs/dbraw/zinc/11/73/38/902117338.db2.gz OODNRCJATADUSW-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001401381542 902118877 /nfs/dbraw/zinc/11/88/77/902118877.db2.gz CTQCYXIDUJNGMT-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001401381542 902118880 /nfs/dbraw/zinc/11/88/80/902118880.db2.gz CTQCYXIDUJNGMT-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401381542 902118886 /nfs/dbraw/zinc/11/88/86/902118886.db2.gz CTQCYXIDUJNGMT-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401381542 902118896 /nfs/dbraw/zinc/11/88/96/902118896.db2.gz CTQCYXIDUJNGMT-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001401381546 902118928 /nfs/dbraw/zinc/11/89/28/902118928.db2.gz CTQCYXIDUJNGMT-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001401381546 902118933 /nfs/dbraw/zinc/11/89/33/902118933.db2.gz CTQCYXIDUJNGMT-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401381546 902118940 /nfs/dbraw/zinc/11/89/40/902118940.db2.gz CTQCYXIDUJNGMT-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401381546 902118946 /nfs/dbraw/zinc/11/89/46/902118946.db2.gz CTQCYXIDUJNGMT-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CCC[NH+](C)C ZINC001401387565 902119940 /nfs/dbraw/zinc/11/99/40/902119940.db2.gz HEEKMOWIVDRCBK-LLVKDONJSA-N 2 1 272.393 -0.408 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CCC[NH+](C)C ZINC001401387565 902119948 /nfs/dbraw/zinc/11/99/48/902119948.db2.gz HEEKMOWIVDRCBK-LLVKDONJSA-N 2 1 272.393 -0.408 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)CCOC)C1 ZINC001401451540 902128131 /nfs/dbraw/zinc/12/81/31/902128131.db2.gz MKRWKMLJDQGWRX-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)CCOC)C1 ZINC001401451540 902128138 /nfs/dbraw/zinc/12/81/38/902128138.db2.gz MKRWKMLJDQGWRX-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)CC[N@H+](C)CCOC)C1 ZINC001401451540 902128142 /nfs/dbraw/zinc/12/81/42/902128142.db2.gz MKRWKMLJDQGWRX-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)CC[N@@H+](C)CCOC)C1 ZINC001401451540 902128148 /nfs/dbraw/zinc/12/81/48/902128148.db2.gz MKRWKMLJDQGWRX-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001401498881 902142635 /nfs/dbraw/zinc/14/26/35/902142635.db2.gz RYPLCXIUPZWCNX-NEPJUHHUSA-N 2 1 293.371 -0.449 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401598922 902181557 /nfs/dbraw/zinc/18/15/57/902181557.db2.gz CNBZRMUBMQOHKS-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+][C@@H](C)C(N)=O ZINC001401605494 902184115 /nfs/dbraw/zinc/18/41/15/902184115.db2.gz PSVNRCMXERXYHR-QWRGUYRKSA-N 2 1 272.393 -0.315 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401610067 902190104 /nfs/dbraw/zinc/19/01/04/902190104.db2.gz MNEFEAQBKRWARV-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001401633513 902198994 /nfs/dbraw/zinc/19/89/94/902198994.db2.gz VYEXKXSFBQTKGJ-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001401637388 902203492 /nfs/dbraw/zinc/20/34/92/902203492.db2.gz HMEKSSANCYPUPN-UTUOFQBUSA-N 2 1 284.404 -0.171 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001401640572 902205653 /nfs/dbraw/zinc/20/56/53/902205653.db2.gz QZTMASQDSUNPPA-WOPDTQHZSA-N 2 1 284.404 -0.443 20 0 CBADMP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001401651790 902208452 /nfs/dbraw/zinc/20/84/52/902208452.db2.gz LAXGDXOAGFVCAK-PWSUYJOCSA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401724209 902244794 /nfs/dbraw/zinc/24/47/94/902244794.db2.gz XPHCVWHTNALKHH-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001401716508 902246019 /nfs/dbraw/zinc/24/60/19/902246019.db2.gz HLLRWUCDFYMZDZ-WCQYABFASA-N 2 1 296.419 -0.004 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H]1CCN(C)C1=O)NC(=O)CCC[NH+](C)C ZINC001401783323 902275224 /nfs/dbraw/zinc/27/52/24/902275224.db2.gz LJGAOVZEYFWYKY-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001401847162 902287676 /nfs/dbraw/zinc/28/76/76/902287676.db2.gz VPEPHDFKTMPEQW-CHWSQXEVSA-N 2 1 296.415 -0.170 20 0 CBADMP COC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001401934701 902315591 /nfs/dbraw/zinc/31/55/91/902315591.db2.gz HHHMGAAIEGTABR-NEPJUHHUSA-N 2 1 285.388 -0.410 20 0 CBADMP COC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001401934701 902315595 /nfs/dbraw/zinc/31/55/95/902315595.db2.gz HHHMGAAIEGTABR-NEPJUHHUSA-N 2 1 285.388 -0.410 20 0 CBADMP CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001401950628 902322939 /nfs/dbraw/zinc/32/29/39/902322939.db2.gz KYRBOIDGZMCFJK-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP CCNC(=O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001401979546 902329570 /nfs/dbraw/zinc/32/95/70/902329570.db2.gz QOTOZMWSKJVNDY-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@@H](C)O)CC2)C1 ZINC001401984599 902331323 /nfs/dbraw/zinc/33/13/23/902331323.db2.gz GRMNNOJLUBOIHH-NEPJUHHUSA-N 2 1 285.388 -0.674 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@@H](C)O)CC2)C1 ZINC001401984599 902331329 /nfs/dbraw/zinc/33/13/29/902331329.db2.gz GRMNNOJLUBOIHH-NEPJUHHUSA-N 2 1 285.388 -0.674 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001402118660 902361088 /nfs/dbraw/zinc/36/10/88/902361088.db2.gz FSBNVSIWCXSJGR-IUODEOHRSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001402118660 902361094 /nfs/dbraw/zinc/36/10/94/902361094.db2.gz FSBNVSIWCXSJGR-IUODEOHRSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001402118660 902361102 /nfs/dbraw/zinc/36/11/02/902361102.db2.gz FSBNVSIWCXSJGR-IUODEOHRSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001402118660 902361108 /nfs/dbraw/zinc/36/11/08/902361108.db2.gz FSBNVSIWCXSJGR-IUODEOHRSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001402141320 902372201 /nfs/dbraw/zinc/37/22/01/902372201.db2.gz UTZMIXFDPMDRDH-WFASDCNBSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001402141320 902372213 /nfs/dbraw/zinc/37/22/13/902372213.db2.gz UTZMIXFDPMDRDH-WFASDCNBSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001402141320 902372220 /nfs/dbraw/zinc/37/22/20/902372220.db2.gz UTZMIXFDPMDRDH-WFASDCNBSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402141320 902372227 /nfs/dbraw/zinc/37/22/27/902372227.db2.gz UTZMIXFDPMDRDH-WFASDCNBSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001402251454 902391213 /nfs/dbraw/zinc/39/12/13/902391213.db2.gz XFJFTZIFIDVCCL-STQMWFEESA-N 2 1 299.415 -0.426 20 0 CBADMP COC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001402290719 902411983 /nfs/dbraw/zinc/41/19/83/902411983.db2.gz MUGHGPCRPNDNBT-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001402299509 902416966 /nfs/dbraw/zinc/41/69/66/902416966.db2.gz VPPWZWDADFYHPX-TZMCWYRMSA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001402299509 902416972 /nfs/dbraw/zinc/41/69/72/902416972.db2.gz VPPWZWDADFYHPX-TZMCWYRMSA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001402414298 902444882 /nfs/dbraw/zinc/44/48/82/902444882.db2.gz PWGJKIICWOQSTC-PWSUYJOCSA-N 2 1 293.371 -0.639 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001402441009 902451631 /nfs/dbraw/zinc/45/16/31/902451631.db2.gz WEUNTTRXXPTCKR-XQQFMLRXSA-N 2 1 296.415 -0.408 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001402458392 902455212 /nfs/dbraw/zinc/45/52/12/902455212.db2.gz DZNFDRFCNVSJTR-NSHDSACASA-N 2 1 295.391 -0.758 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001402458392 902455221 /nfs/dbraw/zinc/45/52/21/902455221.db2.gz DZNFDRFCNVSJTR-NSHDSACASA-N 2 1 295.391 -0.758 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001402462032 902455452 /nfs/dbraw/zinc/45/54/52/902455452.db2.gz LGZRZPQSMNEQMK-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001402463997 902459713 /nfs/dbraw/zinc/45/97/13/902459713.db2.gz UAJBZCUTXJDNKC-JQWIXIFHSA-N 2 1 293.371 -0.483 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001402514977 902469743 /nfs/dbraw/zinc/46/97/43/902469743.db2.gz JJROFXPLUNOACY-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001402528181 902471949 /nfs/dbraw/zinc/47/19/49/902471949.db2.gz HZSQQSCZHGAWOA-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001402549665 902474975 /nfs/dbraw/zinc/47/49/75/902474975.db2.gz KBIFQOFHJUZOAA-HAQNSBGRSA-N 2 1 284.404 -0.301 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001402539513 902476443 /nfs/dbraw/zinc/47/64/43/902476443.db2.gz TZFPZXHDVIMSMR-JOCQHMNTSA-N 2 1 294.403 -0.143 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001402562159 902481564 /nfs/dbraw/zinc/48/15/64/902481564.db2.gz MHJLPQLHHNXGHJ-UHFFFAOYSA-N 2 1 279.344 -0.695 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001402631645 902494756 /nfs/dbraw/zinc/49/47/56/902494756.db2.gz VRHWZAPQVSRVAL-FRRDWIJNSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001402652512 902497953 /nfs/dbraw/zinc/49/79/53/902497953.db2.gz GJYCRCIXOBQVRU-RYUDHWBXSA-N 2 1 286.420 -0.019 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001402681856 902502237 /nfs/dbraw/zinc/50/22/37/902502237.db2.gz LHQXJZLLZJJIFD-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001402702630 902505203 /nfs/dbraw/zinc/50/52/03/902505203.db2.gz VEFWOUNECMCMDQ-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP CCC1([NH2+]CCO)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001402703437 902505580 /nfs/dbraw/zinc/50/55/80/902505580.db2.gz HETLCFCVTNTESZ-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC1([NH2+]CCO)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001402703437 902505588 /nfs/dbraw/zinc/50/55/88/902505588.db2.gz HETLCFCVTNTESZ-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP CCn1ncnc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001402847262 902535387 /nfs/dbraw/zinc/53/53/87/902535387.db2.gz DPECBTDOJCVTKW-VXGBXAGGSA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1ncnc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001402847262 902535400 /nfs/dbraw/zinc/53/54/00/902535400.db2.gz DPECBTDOJCVTKW-VXGBXAGGSA-N 2 1 294.403 -0.014 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001402888789 902551801 /nfs/dbraw/zinc/55/18/01/902551801.db2.gz OUQPJZISVWWMGK-RYUDHWBXSA-N 2 1 284.404 -0.301 20 0 CBADMP CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001402949459 902573462 /nfs/dbraw/zinc/57/34/62/902573462.db2.gz MGNUFJDFWLPVSZ-CPCZMJQVSA-N 2 1 296.415 -0.441 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001403032733 902598273 /nfs/dbraw/zinc/59/82/73/902598273.db2.gz JHGRJCFVOFIEMD-VXGBXAGGSA-N 2 1 286.420 -0.055 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1nncn1C ZINC001403044799 902598964 /nfs/dbraw/zinc/59/89/64/902598964.db2.gz KTPZEMSRHOFNQJ-QWRGUYRKSA-N 2 1 282.392 -0.078 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001403064559 902604952 /nfs/dbraw/zinc/60/49/52/902604952.db2.gz UTLYTTVRNNTFLD-VHSXEESVSA-N 2 1 283.380 -0.855 20 0 CBADMP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001403070707 902608092 /nfs/dbraw/zinc/60/80/92/902608092.db2.gz VXQJPXNHEBZPNC-WXRRBKDZSA-N 2 1 296.415 -0.299 20 0 CBADMP COC[C@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001403070819 902608582 /nfs/dbraw/zinc/60/85/82/902608582.db2.gz PKZRSMNTDPSRBU-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001403166460 902635088 /nfs/dbraw/zinc/63/50/88/902635088.db2.gz KHAIULCBJPWYHI-WDEREUQCSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001403166460 902635097 /nfs/dbraw/zinc/63/50/97/902635097.db2.gz KHAIULCBJPWYHI-WDEREUQCSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@H]1CCCNC1=O ZINC001403174199 902640354 /nfs/dbraw/zinc/64/03/54/902640354.db2.gz XQOKSFCELCTXGW-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001403270996 902663084 /nfs/dbraw/zinc/66/30/84/902663084.db2.gz FKIKNZWWYJVFSI-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001403320229 902668583 /nfs/dbraw/zinc/66/85/83/902668583.db2.gz CUJXKGWWKNVZHB-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC001403339864 902671586 /nfs/dbraw/zinc/67/15/86/902671586.db2.gz AAZBRPXTLGKBDY-HNNXBMFYSA-N 2 1 299.415 -0.376 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC001403339864 902671593 /nfs/dbraw/zinc/67/15/93/902671593.db2.gz AAZBRPXTLGKBDY-HNNXBMFYSA-N 2 1 299.415 -0.376 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001403475763 902696636 /nfs/dbraw/zinc/69/66/36/902696636.db2.gz CJQRZLFMSGQUIE-NEPJUHHUSA-N 2 1 284.404 -0.301 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001403486967 902699389 /nfs/dbraw/zinc/69/93/89/902699389.db2.gz LXXUVKMSIODBSG-MNOVXSKESA-N 2 1 272.393 -0.315 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001403532530 902717891 /nfs/dbraw/zinc/71/78/91/902717891.db2.gz URXBBJWIDPNTRE-AAEUAGOBSA-N 2 1 294.403 -0.154 20 0 CBADMP COC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001403538758 902722285 /nfs/dbraw/zinc/72/22/85/902722285.db2.gz WFUDUPCHWULWEW-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP COC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001403538758 902722294 /nfs/dbraw/zinc/72/22/94/902722294.db2.gz WFUDUPCHWULWEW-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP COC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001403538758 902722304 /nfs/dbraw/zinc/72/23/04/902722304.db2.gz WFUDUPCHWULWEW-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP COC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001403538758 902722309 /nfs/dbraw/zinc/72/23/09/902722309.db2.gz WFUDUPCHWULWEW-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001403573471 902738683 /nfs/dbraw/zinc/73/86/83/902738683.db2.gz DMSBPYGVRIWRMZ-LBPRGKRZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001403595582 902742485 /nfs/dbraw/zinc/74/24/85/902742485.db2.gz UCNHRCCESRFLKR-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001403595582 902742497 /nfs/dbraw/zinc/74/24/97/902742497.db2.gz UCNHRCCESRFLKR-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC001403595582 902742509 /nfs/dbraw/zinc/74/25/09/902742509.db2.gz UCNHRCCESRFLKR-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)CC[C@H]1CCC[N@H+]1C)[C@@H]1CCNC1=O ZINC001403595582 902742525 /nfs/dbraw/zinc/74/25/25/902742525.db2.gz UCNHRCCESRFLKR-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001403644718 902769154 /nfs/dbraw/zinc/76/91/54/902769154.db2.gz WBODXYPLKBFSCB-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001403644718 902769162 /nfs/dbraw/zinc/76/91/62/902769162.db2.gz WBODXYPLKBFSCB-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001403644718 902769170 /nfs/dbraw/zinc/76/91/70/902769170.db2.gz WBODXYPLKBFSCB-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001403644718 902769178 /nfs/dbraw/zinc/76/91/78/902769178.db2.gz WBODXYPLKBFSCB-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001403751948 902836172 /nfs/dbraw/zinc/83/61/72/902836172.db2.gz NNBQQKMOHHFAIR-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001403752839 902838726 /nfs/dbraw/zinc/83/87/26/902838726.db2.gz QTRBNKKSMWHBTB-VXGBXAGGSA-N 2 1 284.404 -0.491 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001403752839 902838745 /nfs/dbraw/zinc/83/87/45/902838745.db2.gz QTRBNKKSMWHBTB-VXGBXAGGSA-N 2 1 284.404 -0.491 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)C(=O)NC ZINC001403763692 902843351 /nfs/dbraw/zinc/84/33/51/902843351.db2.gz RAFVUDRVTPHFCN-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)C(=O)NC ZINC001403763692 902843362 /nfs/dbraw/zinc/84/33/62/902843362.db2.gz RAFVUDRVTPHFCN-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC ZINC001403763692 902843370 /nfs/dbraw/zinc/84/33/70/902843370.db2.gz RAFVUDRVTPHFCN-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC ZINC001403763692 902843392 /nfs/dbraw/zinc/84/33/92/902843392.db2.gz RAFVUDRVTPHFCN-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001403822503 902862597 /nfs/dbraw/zinc/86/25/97/902862597.db2.gz FXAWTWALFRHUDL-QWHCGFSZSA-N 2 1 287.404 -0.618 20 0 CBADMP CC(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001403822503 902862609 /nfs/dbraw/zinc/86/26/09/902862609.db2.gz FXAWTWALFRHUDL-QWHCGFSZSA-N 2 1 287.404 -0.618 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCCNC1=O ZINC001403938310 902910288 /nfs/dbraw/zinc/91/02/88/902910288.db2.gz GVWPXYZVMYHSLH-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)C(N)=O ZINC001403940647 902913673 /nfs/dbraw/zinc/91/36/73/902913673.db2.gz PUFMXYIGQSOZRI-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)C(N)=O ZINC001403940647 902913682 /nfs/dbraw/zinc/91/36/82/902913682.db2.gz PUFMXYIGQSOZRI-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)C(N)=O ZINC001403940647 902913689 /nfs/dbraw/zinc/91/36/89/902913689.db2.gz PUFMXYIGQSOZRI-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)C(N)=O ZINC001403940647 902913699 /nfs/dbraw/zinc/91/36/99/902913699.db2.gz PUFMXYIGQSOZRI-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)C(N)=O ZINC001403940647 902913706 /nfs/dbraw/zinc/91/37/06/902913706.db2.gz PUFMXYIGQSOZRI-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCN1[C@@H]1CCNC1=O ZINC001404020388 902924517 /nfs/dbraw/zinc/92/45/17/902924517.db2.gz LHWICDWQMQGQEU-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@@H]1CCNC1=O ZINC001404020388 902924526 /nfs/dbraw/zinc/92/45/26/902924526.db2.gz LHWICDWQMQGQEU-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@@H]1CCNC1=O ZINC001404020388 902924537 /nfs/dbraw/zinc/92/45/37/902924537.db2.gz LHWICDWQMQGQEU-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001404020388 902924554 /nfs/dbraw/zinc/92/45/54/902924554.db2.gz LHWICDWQMQGQEU-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@H]1CCNC1=O ZINC001404029235 902929986 /nfs/dbraw/zinc/92/99/86/902929986.db2.gz WUMIZWAYWBLWRJ-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@H]1CCNC1=O ZINC001404029235 902929991 /nfs/dbraw/zinc/92/99/91/902929991.db2.gz WUMIZWAYWBLWRJ-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001404029235 902929997 /nfs/dbraw/zinc/92/99/97/902929997.db2.gz WUMIZWAYWBLWRJ-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001404029235 902930004 /nfs/dbraw/zinc/93/00/04/902930004.db2.gz WUMIZWAYWBLWRJ-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001404106344 902940720 /nfs/dbraw/zinc/94/07/20/902940720.db2.gz XKWXTYWFFHGNNE-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP CCC[N@@H+](CCNC(=O)CC[NH+](C)C)[C@H]1CCN(C)C1=O ZINC001404150209 902947808 /nfs/dbraw/zinc/94/78/08/902947808.db2.gz OHWCCBZXYIATAY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(N)=O ZINC001404177838 902950449 /nfs/dbraw/zinc/95/04/49/902950449.db2.gz QETJDEZVZLNCFG-UHFFFAOYSA-N 2 1 270.377 -0.604 20 0 CBADMP CCC[N@@H+](CCNC(=O)C[NH+]1CCCC1)CC(N)=O ZINC001404177838 902950454 /nfs/dbraw/zinc/95/04/54/902950454.db2.gz QETJDEZVZLNCFG-UHFFFAOYSA-N 2 1 270.377 -0.604 20 0 CBADMP CN1CC[C@H]([N@H+](CCNC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001404261284 902959682 /nfs/dbraw/zinc/95/96/82/902959682.db2.gz JPGTWVTUPDITLI-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([N@@H+](CCNC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001404261284 902959696 /nfs/dbraw/zinc/95/96/96/902959696.db2.gz JPGTWVTUPDITLI-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001404898950 903051699 /nfs/dbraw/zinc/05/16/99/903051699.db2.gz BGVADWZKAVHBDS-JTQLQIEISA-N 2 1 270.377 -0.879 20 0 CBADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001404971254 903061875 /nfs/dbraw/zinc/06/18/75/903061875.db2.gz IQKSDSCQQVQWEQ-RWMBFGLXSA-N 2 1 287.379 -0.056 20 0 CBADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001404971254 903061885 /nfs/dbraw/zinc/06/18/85/903061885.db2.gz IQKSDSCQQVQWEQ-RWMBFGLXSA-N 2 1 287.379 -0.056 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001405000265 903071752 /nfs/dbraw/zinc/07/17/52/903071752.db2.gz PXEWQWIHAZRAJD-GXTWGEPZSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001405000265 903071758 /nfs/dbraw/zinc/07/17/58/903071758.db2.gz PXEWQWIHAZRAJD-GXTWGEPZSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001405000265 903071768 /nfs/dbraw/zinc/07/17/68/903071768.db2.gz PXEWQWIHAZRAJD-GXTWGEPZSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001405033082 903075098 /nfs/dbraw/zinc/07/50/98/903075098.db2.gz WJOZXOTWTFSWQR-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001405033082 903075107 /nfs/dbraw/zinc/07/51/07/903075107.db2.gz WJOZXOTWTFSWQR-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001405033082 903075116 /nfs/dbraw/zinc/07/51/16/903075116.db2.gz WJOZXOTWTFSWQR-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001405069420 903079431 /nfs/dbraw/zinc/07/94/31/903079431.db2.gz RNKYWSPMZMLAPU-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001405069420 903079446 /nfs/dbraw/zinc/07/94/46/903079446.db2.gz RNKYWSPMZMLAPU-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001405069420 903079456 /nfs/dbraw/zinc/07/94/56/903079456.db2.gz RNKYWSPMZMLAPU-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001405094379 903083147 /nfs/dbraw/zinc/08/31/47/903083147.db2.gz RGFYMAGHAWQHHD-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001405094379 903083164 /nfs/dbraw/zinc/08/31/64/903083164.db2.gz RGFYMAGHAWQHHD-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001405130118 903089523 /nfs/dbraw/zinc/08/95/23/903089523.db2.gz VTAKWVAPLXXIRZ-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001405130118 903089535 /nfs/dbraw/zinc/08/95/35/903089535.db2.gz VTAKWVAPLXXIRZ-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001405580148 903180935 /nfs/dbraw/zinc/18/09/35/903180935.db2.gz KWVNEAKRPRYZGF-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001405598328 903186004 /nfs/dbraw/zinc/18/60/04/903186004.db2.gz SNJJKGVJNIKQDN-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001405716100 903207808 /nfs/dbraw/zinc/20/78/08/903207808.db2.gz HVTHDSZLDJDQJP-LBPRGKRZSA-N 2 1 296.419 -0.003 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001405711158 903209350 /nfs/dbraw/zinc/20/93/50/903209350.db2.gz AFKAQXCEGZLVPZ-WDEREUQCSA-N 2 1 272.393 -0.458 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001405798050 903221757 /nfs/dbraw/zinc/22/17/57/903221757.db2.gz RTJFJUCQAYYUDH-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC001405876334 903240595 /nfs/dbraw/zinc/24/05/95/903240595.db2.gz NUEKCTNRMSUWKF-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001405956472 903248056 /nfs/dbraw/zinc/24/80/56/903248056.db2.gz BFWFMYBTXPMBMV-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001405971256 903249837 /nfs/dbraw/zinc/24/98/37/903249837.db2.gz MVBOEDFNXWCECH-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(N)=O ZINC001406042422 903256951 /nfs/dbraw/zinc/25/69/51/903256951.db2.gz PAJFSFBATOOQLD-NWDGAFQWSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C(C)C ZINC001406073311 903263274 /nfs/dbraw/zinc/26/32/74/903263274.db2.gz NNURWCFGODJMQM-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001406098903 903267637 /nfs/dbraw/zinc/26/76/37/903267637.db2.gz BZQLOLLHASPQGZ-AAEUAGOBSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001406098903 903267647 /nfs/dbraw/zinc/26/76/47/903267647.db2.gz BZQLOLLHASPQGZ-AAEUAGOBSA-N 2 1 296.415 -0.408 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001406102067 903268454 /nfs/dbraw/zinc/26/84/54/903268454.db2.gz FOXFRANTIWJZTE-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001406102067 903268469 /nfs/dbraw/zinc/26/84/69/903268469.db2.gz FOXFRANTIWJZTE-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001406174714 903284876 /nfs/dbraw/zinc/28/48/76/903284876.db2.gz MKLMOGTWKHTBSR-LBPRGKRZSA-N 2 1 286.420 -0.019 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001406174714 903284885 /nfs/dbraw/zinc/28/48/85/903284885.db2.gz MKLMOGTWKHTBSR-LBPRGKRZSA-N 2 1 286.420 -0.019 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001406174714 903284888 /nfs/dbraw/zinc/28/48/88/903284888.db2.gz MKLMOGTWKHTBSR-LBPRGKRZSA-N 2 1 286.420 -0.019 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001406174714 903284897 /nfs/dbraw/zinc/28/48/97/903284897.db2.gz MKLMOGTWKHTBSR-LBPRGKRZSA-N 2 1 286.420 -0.019 20 0 CBADMP CC(C)[NH2+]C[C@H](O)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001406257648 903330702 /nfs/dbraw/zinc/33/07/02/903330702.db2.gz QNQIDUVAVMACOL-JTQLQIEISA-N 2 1 284.360 -0.175 20 0 CBADMP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)on1 ZINC001406281753 903340165 /nfs/dbraw/zinc/34/01/65/903340165.db2.gz HWYGPMDGYBMLRQ-RYUDHWBXSA-N 2 1 296.371 -0.499 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406301038 903345571 /nfs/dbraw/zinc/34/55/71/903345571.db2.gz ADCSSRBBMGSKOR-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001406335196 903357571 /nfs/dbraw/zinc/35/75/71/903357571.db2.gz HWHIHRVFXZJTRQ-PWSUYJOCSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001406335196 903357588 /nfs/dbraw/zinc/35/75/88/903357588.db2.gz HWHIHRVFXZJTRQ-PWSUYJOCSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406360176 903375193 /nfs/dbraw/zinc/37/51/93/903375193.db2.gz OVRWQXVYEDWDQA-NQBHXWOUSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406360176 903375211 /nfs/dbraw/zinc/37/52/11/903375211.db2.gz OVRWQXVYEDWDQA-NQBHXWOUSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001406364318 903376746 /nfs/dbraw/zinc/37/67/46/903376746.db2.gz GIAQWBUDVFQKPF-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001406650618 903458867 /nfs/dbraw/zinc/45/88/67/903458867.db2.gz QDGJQJSEIDOGEP-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001406650618 903458873 /nfs/dbraw/zinc/45/88/73/903458873.db2.gz QDGJQJSEIDOGEP-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001406650618 903458878 /nfs/dbraw/zinc/45/88/78/903458878.db2.gz QDGJQJSEIDOGEP-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001406650618 903458883 /nfs/dbraw/zinc/45/88/83/903458883.db2.gz QDGJQJSEIDOGEP-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001406695200 903464569 /nfs/dbraw/zinc/46/45/69/903464569.db2.gz FULQZLUICPLYRF-WDEREUQCSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001406695200 903464578 /nfs/dbraw/zinc/46/45/78/903464578.db2.gz FULQZLUICPLYRF-WDEREUQCSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406695200 903464587 /nfs/dbraw/zinc/46/45/87/903464587.db2.gz FULQZLUICPLYRF-WDEREUQCSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406695200 903464599 /nfs/dbraw/zinc/46/45/99/903464599.db2.gz FULQZLUICPLYRF-WDEREUQCSA-N 2 1 270.377 -0.879 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001406796001 903477910 /nfs/dbraw/zinc/47/79/10/903477910.db2.gz WKKQKKYOLDFTHG-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001406796005 903480233 /nfs/dbraw/zinc/48/02/33/903480233.db2.gz WKKQKKYOLDFTHG-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001406812736 903482425 /nfs/dbraw/zinc/48/24/25/903482425.db2.gz DAAAXWPPLKSEHB-DGCLKSJQSA-N 2 1 298.431 -0.055 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001406872016 903497664 /nfs/dbraw/zinc/49/76/64/903497664.db2.gz GLQGENVJHLPROB-STQMWFEESA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001406894251 903502011 /nfs/dbraw/zinc/50/20/11/903502011.db2.gz CGHROJVGSYRFKH-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001406894251 903502021 /nfs/dbraw/zinc/50/20/21/903502021.db2.gz CGHROJVGSYRFKH-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001406894251 903502033 /nfs/dbraw/zinc/50/20/33/903502033.db2.gz CGHROJVGSYRFKH-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001406894251 903502042 /nfs/dbraw/zinc/50/20/42/903502042.db2.gz CGHROJVGSYRFKH-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP CN1CC[C@@H]([NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001406953974 903516955 /nfs/dbraw/zinc/51/69/55/903516955.db2.gz LHDCBQKHPPKZHM-VXGBXAGGSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001406986285 903524057 /nfs/dbraw/zinc/52/40/57/903524057.db2.gz HRUHYWOIIQKNHI-MNOVXSKESA-N 2 1 282.388 -0.560 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001406993777 903524897 /nfs/dbraw/zinc/52/48/97/903524897.db2.gz KRMGWCAYVZCBBO-NSHDSACASA-N 2 1 291.355 -0.682 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1 ZINC001407008907 903526129 /nfs/dbraw/zinc/52/61/29/903526129.db2.gz PLWMSCVICMFRJJ-JTQLQIEISA-N 2 1 270.377 -0.561 20 0 CBADMP CC1(NC(=O)CC[NH+]2CCOCC2)CC[NH+](CCO)CC1 ZINC001407132125 903548674 /nfs/dbraw/zinc/54/86/74/903548674.db2.gz UPTAXJNBRVFIGE-UHFFFAOYSA-N 2 1 299.415 -0.328 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001407213806 903556257 /nfs/dbraw/zinc/55/62/57/903556257.db2.gz QJABZUIPYZVHGS-CQSZACIVSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001407213806 903556271 /nfs/dbraw/zinc/55/62/71/903556271.db2.gz QJABZUIPYZVHGS-CQSZACIVSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001407213806 903556286 /nfs/dbraw/zinc/55/62/86/903556286.db2.gz QJABZUIPYZVHGS-CQSZACIVSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001407213806 903556296 /nfs/dbraw/zinc/55/62/96/903556296.db2.gz QJABZUIPYZVHGS-CQSZACIVSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@]1(O)CC[NH+](CCCO)C1)C1CCC1 ZINC001407343279 903574504 /nfs/dbraw/zinc/57/45/04/903574504.db2.gz GXZLCJNRRYWAHX-HNNXBMFYSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1)C1CCC1 ZINC001407343279 903574512 /nfs/dbraw/zinc/57/45/12/903574512.db2.gz GXZLCJNRRYWAHX-HNNXBMFYSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1)C1CCC1 ZINC001407343279 903574524 /nfs/dbraw/zinc/57/45/24/903574524.db2.gz GXZLCJNRRYWAHX-HNNXBMFYSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@H](O)CN1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001407421945 903603241 /nfs/dbraw/zinc/60/32/41/903603241.db2.gz ZDBCTCMXPCNSQV-RYUDHWBXSA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@H](O)CN1CC(O)(CNC(=O)[C@@H]2CCCCN2C)C1 ZINC001407421945 903603245 /nfs/dbraw/zinc/60/32/45/903603245.db2.gz ZDBCTCMXPCNSQV-RYUDHWBXSA-N 2 1 285.388 -0.986 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001407537648 903625389 /nfs/dbraw/zinc/62/53/89/903625389.db2.gz HLXGWOSFHYKTNG-VXGBXAGGSA-N 2 1 284.404 -0.362 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001407609649 903635918 /nfs/dbraw/zinc/63/59/18/903635918.db2.gz AFSJNOUZWQGDRW-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001407645421 903640891 /nfs/dbraw/zinc/64/08/91/903640891.db2.gz UNMREAATASFEKK-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001407645421 903640905 /nfs/dbraw/zinc/64/09/05/903640905.db2.gz UNMREAATASFEKK-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@]2(CO)CCC[N@H+](CC)C2)C1 ZINC001407645421 903640911 /nfs/dbraw/zinc/64/09/11/903640911.db2.gz UNMREAATASFEKK-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@]2(CO)CCC[N@@H+](CC)C2)C1 ZINC001407645421 903640924 /nfs/dbraw/zinc/64/09/24/903640924.db2.gz UNMREAATASFEKK-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001407763004 903656150 /nfs/dbraw/zinc/65/61/50/903656150.db2.gz FPVZAGXLHIDBMP-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1COCC[N@@H+]1C[C@H]1CCOC1 ZINC001407767081 903657187 /nfs/dbraw/zinc/65/71/87/903657187.db2.gz YQZOYFVKINZUEA-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1COCC[N@H+]1C[C@H]1CCOC1 ZINC001407767081 903657194 /nfs/dbraw/zinc/65/71/94/903657194.db2.gz YQZOYFVKINZUEA-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC001407897694 903674449 /nfs/dbraw/zinc/67/44/49/903674449.db2.gz XBLQWGTUMKBBMK-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001407897694 903674458 /nfs/dbraw/zinc/67/44/58/903674458.db2.gz XBLQWGTUMKBBMK-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001407897694 903674464 /nfs/dbraw/zinc/67/44/64/903674464.db2.gz XBLQWGTUMKBBMK-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001408097488 903709864 /nfs/dbraw/zinc/70/98/64/903709864.db2.gz JDOYHPPWKSWNOC-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001408134474 903718065 /nfs/dbraw/zinc/71/80/65/903718065.db2.gz BYRDSDWXCDNXEN-UHFFFAOYSA-N 2 1 298.431 -0.853 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001408134474 903718083 /nfs/dbraw/zinc/71/80/83/903718083.db2.gz BYRDSDWXCDNXEN-UHFFFAOYSA-N 2 1 298.431 -0.853 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC2(CO)CC[NH+](CCF)CC2)C1 ZINC001408282922 903741447 /nfs/dbraw/zinc/74/14/47/903741447.db2.gz LUKBOPPFZFUOIN-LBPRGKRZSA-N 2 1 287.379 -0.149 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2(CO)CC[NH+](CCF)CC2)C1 ZINC001408282922 903741455 /nfs/dbraw/zinc/74/14/55/903741455.db2.gz LUKBOPPFZFUOIN-LBPRGKRZSA-N 2 1 287.379 -0.149 20 0 CBADMP C[N@@H+](CCO)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001408348199 903757230 /nfs/dbraw/zinc/75/72/30/903757230.db2.gz ZOLIUPHLSBABLE-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC(NC(=O)C[NH+](CC)CC)C1 ZINC001409054757 903841117 /nfs/dbraw/zinc/84/11/17/903841117.db2.gz DYGNONYSRRGJRR-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001409099919 903849823 /nfs/dbraw/zinc/84/98/23/903849823.db2.gz VRBAYCFHCJAFOP-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001409425838 903903433 /nfs/dbraw/zinc/90/34/33/903903433.db2.gz LDASQBUQFKGEOC-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001409519526 903911749 /nfs/dbraw/zinc/91/17/49/903911749.db2.gz QPDHUXNCQZDQOF-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001409519526 903911765 /nfs/dbraw/zinc/91/17/65/903911765.db2.gz QPDHUXNCQZDQOF-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001409519526 903911779 /nfs/dbraw/zinc/91/17/79/903911779.db2.gz QPDHUXNCQZDQOF-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001409519526 903911801 /nfs/dbraw/zinc/91/18/01/903911801.db2.gz QPDHUXNCQZDQOF-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCCC[C@H](C[NH2+]CC(=O)NC)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001409844567 903974855 /nfs/dbraw/zinc/97/48/55/903974855.db2.gz OWSMBIUTWHLWSA-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001460234365 914772230 /nfs/dbraw/zinc/77/22/30/914772230.db2.gz ARXOZZYLNLJDIA-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001460234365 914772242 /nfs/dbraw/zinc/77/22/42/914772242.db2.gz ARXOZZYLNLJDIA-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410209776 904044336 /nfs/dbraw/zinc/04/43/36/904044336.db2.gz QGNHXDMQIGPXJK-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001410214855 904045932 /nfs/dbraw/zinc/04/59/32/904045932.db2.gz GATFCBVBIJNGAR-DLOVCJGASA-N 2 1 293.371 -0.450 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001410227980 904048258 /nfs/dbraw/zinc/04/82/58/904048258.db2.gz GRJFANAGNATLDK-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001410279875 904055634 /nfs/dbraw/zinc/05/56/34/904055634.db2.gz FLZXVJGARPEMAL-VXGBXAGGSA-N 2 1 284.404 -0.456 20 0 CBADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001410329251 904066639 /nfs/dbraw/zinc/06/66/39/904066639.db2.gz WKLPWEOWFYSWFR-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410336833 904070439 /nfs/dbraw/zinc/07/04/39/904070439.db2.gz WGGGLHCKHOEXRM-CHWSQXEVSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001410392372 904084815 /nfs/dbraw/zinc/08/48/15/904084815.db2.gz TYKJNZSAZQXHRD-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410478866 904106248 /nfs/dbraw/zinc/10/62/48/904106248.db2.gz ATONQEJTTINSPH-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001410696979 904162655 /nfs/dbraw/zinc/16/26/55/904162655.db2.gz HNAAKUNRXVBTKS-VXGBXAGGSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001410696979 904162667 /nfs/dbraw/zinc/16/26/67/904162667.db2.gz HNAAKUNRXVBTKS-VXGBXAGGSA-N 2 1 296.371 -0.356 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001410920389 904204003 /nfs/dbraw/zinc/20/40/03/904204003.db2.gz YIVZFZSCMHTVHB-SWLSCSKDSA-N 2 1 296.415 -0.203 20 0 CBADMP CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001411137040 904238253 /nfs/dbraw/zinc/23/82/53/904238253.db2.gz JMGSISWCXGQSEA-WCQYABFASA-N 2 1 296.371 -0.465 20 0 CBADMP CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001411137040 904238268 /nfs/dbraw/zinc/23/82/68/904238268.db2.gz JMGSISWCXGQSEA-WCQYABFASA-N 2 1 296.371 -0.465 20 0 CBADMP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001411182930 904258633 /nfs/dbraw/zinc/25/86/33/904258633.db2.gz WZUNOLGRAYTNBO-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001411182930 904258649 /nfs/dbraw/zinc/25/86/49/904258649.db2.gz WZUNOLGRAYTNBO-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP COCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@H](C)O ZINC001411213309 904264155 /nfs/dbraw/zinc/26/41/55/904264155.db2.gz FOUNOMRFKVDCTH-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C[C@H](C)O ZINC001411213309 904264168 /nfs/dbraw/zinc/26/41/68/904264168.db2.gz FOUNOMRFKVDCTH-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C[C@H](C)O ZINC001411213309 904264183 /nfs/dbraw/zinc/26/41/83/904264183.db2.gz FOUNOMRFKVDCTH-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001411251624 904273564 /nfs/dbraw/zinc/27/35/64/904273564.db2.gz CTBFXBLSMIKXCP-UHFFFAOYSA-N 2 1 284.404 -0.348 20 0 CBADMP C[C@@H]1CN(C(=O)CC[N@H+]2CC[C@@H](F)C2)CCN1CCO ZINC001412050448 904432641 /nfs/dbraw/zinc/43/26/41/904432641.db2.gz KYMADZXJQZUMRU-CHWSQXEVSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+]2CC[C@@H](F)C2)CC[N@H+]1CCO ZINC001412050448 904432655 /nfs/dbraw/zinc/43/26/55/904432655.db2.gz KYMADZXJQZUMRU-CHWSQXEVSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@@H]1CN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC[NH+]1CCO ZINC001412050448 904432661 /nfs/dbraw/zinc/43/26/61/904432661.db2.gz KYMADZXJQZUMRU-CHWSQXEVSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@@H]1CN(C(=O)CC[N@H+]2CC[C@@H](F)C2)CC[NH+]1CCO ZINC001412050448 904432668 /nfs/dbraw/zinc/43/26/68/904432668.db2.gz KYMADZXJQZUMRU-CHWSQXEVSA-N 2 1 287.379 -0.055 20 0 CBADMP CC(=O)[C@@](C)(O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC001412963419 904828435 /nfs/dbraw/zinc/82/84/35/904828435.db2.gz OBCHATLEKRLVPT-AWEZNQCLSA-N 2 1 271.405 -0.104 20 0 CBADMP C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC001413734448 905184552 /nfs/dbraw/zinc/18/45/52/905184552.db2.gz ZVPYTCJSIJVJFE-RYUDHWBXSA-N 2 1 271.409 -0.519 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001414933879 905527196 /nfs/dbraw/zinc/52/71/96/905527196.db2.gz IQCGVYSTOBUFAM-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001415259757 905592931 /nfs/dbraw/zinc/59/29/31/905592931.db2.gz YEQANDFQQICCMX-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001415574087 905641490 /nfs/dbraw/zinc/64/14/90/905641490.db2.gz OXAWBRLJSMCWTO-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001415574087 905641505 /nfs/dbraw/zinc/64/15/05/905641505.db2.gz OXAWBRLJSMCWTO-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415574087 905641520 /nfs/dbraw/zinc/64/15/20/905641520.db2.gz OXAWBRLJSMCWTO-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001415574088 905642710 /nfs/dbraw/zinc/64/27/10/905642710.db2.gz OXAWBRLJSMCWTO-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001415574088 905642716 /nfs/dbraw/zinc/64/27/16/905642716.db2.gz OXAWBRLJSMCWTO-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001415574088 905642720 /nfs/dbraw/zinc/64/27/20/905642720.db2.gz OXAWBRLJSMCWTO-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)CC[NH+](C)C)C1 ZINC001415616601 905648599 /nfs/dbraw/zinc/64/85/99/905648599.db2.gz YJSYWLJATLFIRV-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001415615730 905648678 /nfs/dbraw/zinc/64/86/78/905648678.db2.gz UWUGPFDGFAZAFD-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](C)CCC(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001415615730 905648692 /nfs/dbraw/zinc/64/86/92/905648692.db2.gz UWUGPFDGFAZAFD-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](C)CCC(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001415615730 905648703 /nfs/dbraw/zinc/64/87/03/905648703.db2.gz UWUGPFDGFAZAFD-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1)[NH+](C)C ZINC001416030290 905695594 /nfs/dbraw/zinc/69/55/94/905695594.db2.gz UFVGMKOSDLAEOW-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001416821856 905810567 /nfs/dbraw/zinc/81/05/67/905810567.db2.gz PPGFRXMVTQUECU-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001416821856 905810581 /nfs/dbraw/zinc/81/05/81/905810581.db2.gz PPGFRXMVTQUECU-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001416821856 905810595 /nfs/dbraw/zinc/81/05/95/905810595.db2.gz PPGFRXMVTQUECU-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001417778206 906049725 /nfs/dbraw/zinc/04/97/25/906049725.db2.gz PFRWEZMRVRSJHX-JLLWLGSASA-N 2 1 293.371 -0.450 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001417779930 906051036 /nfs/dbraw/zinc/05/10/36/906051036.db2.gz JDPDQEAZZYAPKI-TXEJJXNPSA-N 2 1 293.371 -0.578 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001417947063 906119730 /nfs/dbraw/zinc/11/97/30/906119730.db2.gz DZRPCXTVWMABFM-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001417947063 906119736 /nfs/dbraw/zinc/11/97/36/906119736.db2.gz DZRPCXTVWMABFM-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001417947063 906119739 /nfs/dbraw/zinc/11/97/39/906119739.db2.gz DZRPCXTVWMABFM-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001417947063 906119744 /nfs/dbraw/zinc/11/97/44/906119744.db2.gz DZRPCXTVWMABFM-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP COC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001418035840 906140913 /nfs/dbraw/zinc/14/09/13/906140913.db2.gz YZMJMBADTRMEDY-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001418052654 906152350 /nfs/dbraw/zinc/15/23/50/906152350.db2.gz ZNVNVIKSIBZTIP-MNOVXSKESA-N 2 1 270.377 -0.609 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001418090705 906165035 /nfs/dbraw/zinc/16/50/35/906165035.db2.gz YZCQUBLUEUEKRN-XQQFMLRXSA-N 2 1 296.415 -0.158 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001418114666 906172157 /nfs/dbraw/zinc/17/21/57/906172157.db2.gz UYTHKSSCBWIIJD-BETUJISGSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)COC)C2)C1 ZINC001418110949 906173044 /nfs/dbraw/zinc/17/30/44/906173044.db2.gz FJIXALWOZCGHBD-FQUUOJAGSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)COC)C2)C1 ZINC001418110949 906173048 /nfs/dbraw/zinc/17/30/48/906173048.db2.gz FJIXALWOZCGHBD-FQUUOJAGSA-N 2 1 299.415 -0.021 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001418107045 906173066 /nfs/dbraw/zinc/17/30/66/906173066.db2.gz BVFFOGYXVOEMIJ-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21)[NH+](C)C ZINC001418182234 906189342 /nfs/dbraw/zinc/18/93/42/906189342.db2.gz DDHASRBHEDECQA-BNDIWNMDSA-N 2 1 296.415 -0.507 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21)[NH+](C)C ZINC001418182234 906189357 /nfs/dbraw/zinc/18/93/57/906189357.db2.gz DDHASRBHEDECQA-BNDIWNMDSA-N 2 1 296.415 -0.507 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001418232308 906230344 /nfs/dbraw/zinc/23/03/44/906230344.db2.gz CVUJDOVDCVLOSZ-ZJUUUORDSA-N 2 1 270.377 -0.561 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001418241453 906237022 /nfs/dbraw/zinc/23/70/22/906237022.db2.gz DMMXTXHYIVJELF-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001418347031 906292442 /nfs/dbraw/zinc/29/24/42/906292442.db2.gz CDIUIRHJVUYMLF-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001418352030 906295019 /nfs/dbraw/zinc/29/50/19/906295019.db2.gz GVTISDKOVSEWID-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP COCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001418356408 906295234 /nfs/dbraw/zinc/29/52/34/906295234.db2.gz KAOIURJIXIUDBB-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001418356408 906295255 /nfs/dbraw/zinc/29/52/55/906295255.db2.gz KAOIURJIXIUDBB-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001418356408 906295273 /nfs/dbraw/zinc/29/52/73/906295273.db2.gz KAOIURJIXIUDBB-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001418356408 906295288 /nfs/dbraw/zinc/29/52/88/906295288.db2.gz KAOIURJIXIUDBB-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001418377193 906300160 /nfs/dbraw/zinc/30/01/60/906300160.db2.gz YJBKLKFRPPSMSF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001418377193 906300176 /nfs/dbraw/zinc/30/01/76/906300176.db2.gz YJBKLKFRPPSMSF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001418431972 906319663 /nfs/dbraw/zinc/31/96/63/906319663.db2.gz QZULRXURJTWHMW-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](O)CCC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001418449555 906334773 /nfs/dbraw/zinc/33/47/73/906334773.db2.gz XMXMUKYXMAYQCM-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](O)CCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001418449555 906334791 /nfs/dbraw/zinc/33/47/91/906334791.db2.gz XMXMUKYXMAYQCM-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](O)CCC[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001418449555 906334805 /nfs/dbraw/zinc/33/48/05/906334805.db2.gz XMXMUKYXMAYQCM-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](O)CCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001418449555 906334821 /nfs/dbraw/zinc/33/48/21/906334821.db2.gz XMXMUKYXMAYQCM-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCNC1=O ZINC001418467408 906350260 /nfs/dbraw/zinc/35/02/60/906350260.db2.gz BGNRULWJGGGUJL-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCNC1=O ZINC001418467408 906350282 /nfs/dbraw/zinc/35/02/82/906350282.db2.gz BGNRULWJGGGUJL-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC001418467408 906350299 /nfs/dbraw/zinc/35/02/99/906350299.db2.gz BGNRULWJGGGUJL-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CCNC1=O ZINC001418467408 906350312 /nfs/dbraw/zinc/35/03/12/906350312.db2.gz BGNRULWJGGGUJL-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001418511920 906374672 /nfs/dbraw/zinc/37/46/72/906374672.db2.gz JPLUHHUDAHSTAP-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001418511920 906374689 /nfs/dbraw/zinc/37/46/89/906374689.db2.gz JPLUHHUDAHSTAP-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001418513241 906380217 /nfs/dbraw/zinc/38/02/17/906380217.db2.gz WFTUPYFHTNMFKK-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@H](O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001418513241 906380230 /nfs/dbraw/zinc/38/02/30/906380230.db2.gz WFTUPYFHTNMFKK-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@H](O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001418513241 906380237 /nfs/dbraw/zinc/38/02/37/906380237.db2.gz WFTUPYFHTNMFKK-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001418628213 906431564 /nfs/dbraw/zinc/43/15/64/906431564.db2.gz HMEKNTZDXADRPS-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001418628213 906431572 /nfs/dbraw/zinc/43/15/72/906431572.db2.gz HMEKNTZDXADRPS-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001418638096 906432159 /nfs/dbraw/zinc/43/21/59/906432159.db2.gz NCBSPJILEILXII-GXTWGEPZSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001418638096 906432164 /nfs/dbraw/zinc/43/21/64/906432164.db2.gz NCBSPJILEILXII-GXTWGEPZSA-N 2 1 298.431 -0.101 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001418652303 906437304 /nfs/dbraw/zinc/43/73/04/906437304.db2.gz QEUWRAKPJMSUIN-BETUJISGSA-N 2 1 285.388 -0.815 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001418658445 906438199 /nfs/dbraw/zinc/43/81/99/906438199.db2.gz MQOUAQPHVCOJBK-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001418658445 906438207 /nfs/dbraw/zinc/43/82/07/906438207.db2.gz MQOUAQPHVCOJBK-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001418658445 906438209 /nfs/dbraw/zinc/43/82/09/906438209.db2.gz MQOUAQPHVCOJBK-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001418670599 906443758 /nfs/dbraw/zinc/44/37/58/906443758.db2.gz HAMKWKWIKSMPHY-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001418678746 906446942 /nfs/dbraw/zinc/44/69/42/906446942.db2.gz CIBDJKWTOJHQAR-SRVKXCTJSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001418701565 906449856 /nfs/dbraw/zinc/44/98/56/906449856.db2.gz KBIRWIPMIZSFRM-RNJOBUHISA-N 2 1 296.415 -0.314 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CCOC ZINC001418707979 906455104 /nfs/dbraw/zinc/45/51/04/906455104.db2.gz FIFZFRQFDKZHSI-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CCOC ZINC001418707979 906455110 /nfs/dbraw/zinc/45/51/10/906455110.db2.gz FIFZFRQFDKZHSI-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)CCOC ZINC001418707979 906455116 /nfs/dbraw/zinc/45/51/16/906455116.db2.gz FIFZFRQFDKZHSI-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CCOC ZINC001418707979 906455122 /nfs/dbraw/zinc/45/51/22/906455122.db2.gz FIFZFRQFDKZHSI-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)C(N)=O ZINC001418728021 906459354 /nfs/dbraw/zinc/45/93/54/906459354.db2.gz CKHPTIGQPFPFAV-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)C(N)=O ZINC001418728021 906459362 /nfs/dbraw/zinc/45/93/62/906459362.db2.gz CKHPTIGQPFPFAV-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)C(N)=O ZINC001418728021 906459371 /nfs/dbraw/zinc/45/93/71/906459371.db2.gz CKHPTIGQPFPFAV-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001418817101 906484995 /nfs/dbraw/zinc/48/49/95/906484995.db2.gz QZAZVZKHTNVGCC-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001418813219 906485242 /nfs/dbraw/zinc/48/52/42/906485242.db2.gz VAALKZVFFKBJQC-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001418825930 906488639 /nfs/dbraw/zinc/48/86/39/906488639.db2.gz IKJBGMBRCPQHTR-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@H](C)C(N)=O)C1 ZINC001418954576 906528189 /nfs/dbraw/zinc/52/81/89/906528189.db2.gz HVYLLUZUPBIFGJ-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@H](C)C(N)=O)C1 ZINC001418954576 906528192 /nfs/dbraw/zinc/52/81/92/906528192.db2.gz HVYLLUZUPBIFGJ-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001418954576 906528202 /nfs/dbraw/zinc/52/82/02/906528202.db2.gz HVYLLUZUPBIFGJ-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001418954576 906528207 /nfs/dbraw/zinc/52/82/07/906528207.db2.gz HVYLLUZUPBIFGJ-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001419056628 906578387 /nfs/dbraw/zinc/57/83/87/906578387.db2.gz SXEARVUPNJOQRU-IHRRRGAJSA-N 2 1 297.399 -0.625 20 0 CBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001419056628 906578405 /nfs/dbraw/zinc/57/84/05/906578405.db2.gz SXEARVUPNJOQRU-IHRRRGAJSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001419091450 906593274 /nfs/dbraw/zinc/59/32/74/906593274.db2.gz RQSPSFSXMGGMBK-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001419091450 906593288 /nfs/dbraw/zinc/59/32/88/906593288.db2.gz RQSPSFSXMGGMBK-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001419105043 906597976 /nfs/dbraw/zinc/59/79/76/906597976.db2.gz DYXFGUDMTOAKLS-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001419105043 906597981 /nfs/dbraw/zinc/59/79/81/906597981.db2.gz DYXFGUDMTOAKLS-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CCN1CCO[C@@H](C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)C1 ZINC001419122465 906600519 /nfs/dbraw/zinc/60/05/19/906600519.db2.gz XHUQHTIRDPYPMT-BFHYXJOUSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001419122465 906600531 /nfs/dbraw/zinc/60/05/31/906600531.db2.gz XHUQHTIRDPYPMT-BFHYXJOUSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001419122465 906600541 /nfs/dbraw/zinc/60/05/41/906600541.db2.gz XHUQHTIRDPYPMT-BFHYXJOUSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)C1 ZINC001419122465 906600557 /nfs/dbraw/zinc/60/05/57/906600557.db2.gz XHUQHTIRDPYPMT-BFHYXJOUSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001419143540 906611529 /nfs/dbraw/zinc/61/15/29/906611529.db2.gz WTDLTQPUVJAVJT-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001419143540 906611543 /nfs/dbraw/zinc/61/15/43/906611543.db2.gz WTDLTQPUVJAVJT-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001419143540 906611558 /nfs/dbraw/zinc/61/15/58/906611558.db2.gz WTDLTQPUVJAVJT-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001419143540 906611566 /nfs/dbraw/zinc/61/15/66/906611566.db2.gz WTDLTQPUVJAVJT-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001419170523 906624911 /nfs/dbraw/zinc/62/49/11/906624911.db2.gz ALECAXUGVMXXEG-STQMWFEESA-N 2 1 294.403 -0.143 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001419385361 906674351 /nfs/dbraw/zinc/67/43/51/906674351.db2.gz HPQDKAQFVJLXRD-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001419467099 906697354 /nfs/dbraw/zinc/69/73/54/906697354.db2.gz AMXZNIQFOUHBHN-PHIMTYICSA-N 2 1 279.344 -0.675 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001419498445 906704097 /nfs/dbraw/zinc/70/40/97/906704097.db2.gz UHANCAGGYSLMJB-CRWXNKLISA-N 2 1 299.415 -0.285 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001419490984 906705500 /nfs/dbraw/zinc/70/55/00/906705500.db2.gz JJROFXPLUNOACY-UPJWGTAASA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001419567106 906727504 /nfs/dbraw/zinc/72/75/04/906727504.db2.gz XXAIZDPCBDRAEK-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001419567106 906727516 /nfs/dbraw/zinc/72/75/16/906727516.db2.gz XXAIZDPCBDRAEK-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001419567106 906727527 /nfs/dbraw/zinc/72/75/27/906727527.db2.gz XXAIZDPCBDRAEK-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001419712732 906776352 /nfs/dbraw/zinc/77/63/52/906776352.db2.gz DBHXMUJRWJBGGQ-QWRGUYRKSA-N 2 1 297.407 -0.513 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC1CC1 ZINC001419743768 906795673 /nfs/dbraw/zinc/79/56/73/906795673.db2.gz TYBXHRJWYDJYGV-DMDPSCGWSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC1CC1 ZINC001419743775 906797234 /nfs/dbraw/zinc/79/72/34/906797234.db2.gz TYBXHRJWYDJYGV-NQBHXWOUSA-N 2 1 296.415 -0.301 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419749335 906800839 /nfs/dbraw/zinc/80/08/39/906800839.db2.gz RVKCKJXEQIWBMM-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001419891722 906851707 /nfs/dbraw/zinc/85/17/07/906851707.db2.gz CNCWJDXDLWVVHP-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001419913401 906856439 /nfs/dbraw/zinc/85/64/39/906856439.db2.gz LSLQAEIOFFWJIH-WDEREUQCSA-N 2 1 270.377 -0.704 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cnnn1C ZINC001419934156 906865356 /nfs/dbraw/zinc/86/53/56/906865356.db2.gz JMZPUSNXWZYSJB-NSHDSACASA-N 2 1 282.392 -0.250 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001419955289 906871862 /nfs/dbraw/zinc/87/18/62/906871862.db2.gz QVOHANMLBUHKFH-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1)C(N)=O ZINC001419976053 906878500 /nfs/dbraw/zinc/87/85/00/906878500.db2.gz SNDLVJQGMIDWND-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001420013446 906901927 /nfs/dbraw/zinc/90/19/27/906901927.db2.gz PVWRTKKADMEPGC-MNOVXSKESA-N 2 1 272.393 -0.409 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001420013446 906901932 /nfs/dbraw/zinc/90/19/32/906901932.db2.gz PVWRTKKADMEPGC-MNOVXSKESA-N 2 1 272.393 -0.409 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccns1 ZINC001420090479 906931298 /nfs/dbraw/zinc/93/12/98/906931298.db2.gz AJLUQOAUYOJHTB-JQWIXIFHSA-N 2 1 298.412 -0.196 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccn1 ZINC001420108949 906944130 /nfs/dbraw/zinc/94/41/30/906944130.db2.gz MNVOYFTWEWSUMK-KBPBESRZSA-N 2 1 292.383 -0.258 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccccn1 ZINC001420108952 906944550 /nfs/dbraw/zinc/94/45/50/906944550.db2.gz MNVOYFTWEWSUMK-KGLIPLIRSA-N 2 1 292.383 -0.258 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnon1)[NH+](C)C ZINC001420141077 906967167 /nfs/dbraw/zinc/96/71/67/906967167.db2.gz FWGIYAYVLYHLRE-VXGBXAGGSA-N 2 1 299.375 -0.778 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC[C@@H]1CCOC1 ZINC001420194809 907005626 /nfs/dbraw/zinc/00/56/26/907005626.db2.gz HYDRZBCBLMBOIW-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC[C@@H]1CCOC1 ZINC001420194809 907005644 /nfs/dbraw/zinc/00/56/44/907005644.db2.gz HYDRZBCBLMBOIW-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC[C@@H]1CCOC1 ZINC001420194809 907005662 /nfs/dbraw/zinc/00/56/62/907005662.db2.gz HYDRZBCBLMBOIW-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC[C@@H]1CCOC1 ZINC001420194809 907005681 /nfs/dbraw/zinc/00/56/81/907005681.db2.gz HYDRZBCBLMBOIW-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420247315 907044908 /nfs/dbraw/zinc/04/49/08/907044908.db2.gz DPHJQUZPMFWUPJ-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001420374683 907126636 /nfs/dbraw/zinc/12/66/36/907126636.db2.gz CWQHAZGOBGRJMH-LLVKDONJSA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001420374683 907126644 /nfs/dbraw/zinc/12/66/44/907126644.db2.gz CWQHAZGOBGRJMH-LLVKDONJSA-N 2 1 282.392 -0.250 20 0 CBADMP CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)CC[NH+](C)C)C1=O ZINC001420429425 907160109 /nfs/dbraw/zinc/16/01/09/907160109.db2.gz WVVNAQPJDWAZPE-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@H](C)C(N)=O ZINC001420445896 907164938 /nfs/dbraw/zinc/16/49/38/907164938.db2.gz ZKJSSUJWZMWNIM-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)[C@H](C)C(N)=O ZINC001420445896 907164945 /nfs/dbraw/zinc/16/49/45/907164945.db2.gz ZKJSSUJWZMWNIM-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CNC(=O)CN1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001420472593 907174140 /nfs/dbraw/zinc/17/41/40/907174140.db2.gz XXWMPVHNRBRGMR-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001420465428 907175218 /nfs/dbraw/zinc/17/52/18/907175218.db2.gz WGZWTBCTZCMGRP-NSHDSACASA-N 2 1 282.392 -0.156 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420509686 907189483 /nfs/dbraw/zinc/18/94/83/907189483.db2.gz FLNDBURUDKBBPC-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420535069 907198401 /nfs/dbraw/zinc/19/84/01/907198401.db2.gz DWUBUDKPXCEWDI-NEPJUHHUSA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001420535069 907198408 /nfs/dbraw/zinc/19/84/08/907198408.db2.gz DWUBUDKPXCEWDI-NEPJUHHUSA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001420535069 907198425 /nfs/dbraw/zinc/19/84/25/907198425.db2.gz DWUBUDKPXCEWDI-NEPJUHHUSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001420543198 907205822 /nfs/dbraw/zinc/20/58/22/907205822.db2.gz XKAYMFGAIDYTKV-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420571867 907219253 /nfs/dbraw/zinc/21/92/53/907219253.db2.gz ZPQJZJREENETPO-NEPJUHHUSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001420571867 907219266 /nfs/dbraw/zinc/21/92/66/907219266.db2.gz ZPQJZJREENETPO-NEPJUHHUSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001420571867 907219280 /nfs/dbraw/zinc/21/92/80/907219280.db2.gz ZPQJZJREENETPO-NEPJUHHUSA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001420613317 907241522 /nfs/dbraw/zinc/24/15/22/907241522.db2.gz FLUNEMPSWAKTBJ-WCQYABFASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001420613317 907241545 /nfs/dbraw/zinc/24/15/45/907241545.db2.gz FLUNEMPSWAKTBJ-WCQYABFASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001420655055 907258964 /nfs/dbraw/zinc/25/89/64/907258964.db2.gz AGZBWSALAKFXSQ-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001420655055 907258981 /nfs/dbraw/zinc/25/89/81/907258981.db2.gz AGZBWSALAKFXSQ-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420655055 907258993 /nfs/dbraw/zinc/25/89/93/907258993.db2.gz AGZBWSALAKFXSQ-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420655055 907259010 /nfs/dbraw/zinc/25/90/10/907259010.db2.gz AGZBWSALAKFXSQ-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001420711478 907275575 /nfs/dbraw/zinc/27/55/75/907275575.db2.gz CRYMZRVGUKEBFW-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CCNC(=O)C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001420706675 907276304 /nfs/dbraw/zinc/27/63/04/907276304.db2.gz QXUFLGCEWMVBSF-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001420706675 907276324 /nfs/dbraw/zinc/27/63/24/907276324.db2.gz QXUFLGCEWMVBSF-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001420706675 907276344 /nfs/dbraw/zinc/27/63/44/907276344.db2.gz QXUFLGCEWMVBSF-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001420706675 907276363 /nfs/dbraw/zinc/27/63/63/907276363.db2.gz QXUFLGCEWMVBSF-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CN1CCC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001420876670 907337755 /nfs/dbraw/zinc/33/77/55/907337755.db2.gz MCWFEVNEXLCDGF-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CCC[C@H]([N@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001420876670 907337769 /nfs/dbraw/zinc/33/77/69/907337769.db2.gz MCWFEVNEXLCDGF-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001420952282 907370519 /nfs/dbraw/zinc/37/05/19/907370519.db2.gz WXQJNBZLANWNDG-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001420962627 907371611 /nfs/dbraw/zinc/37/16/11/907371611.db2.gz SLDTXMRCYUNSAA-NSHDSACASA-N 2 1 291.355 -0.682 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001420962635 907373580 /nfs/dbraw/zinc/37/35/80/907373580.db2.gz SUQMAVRIDXCTFY-UHFFFAOYSA-N 2 1 279.344 -0.824 20 0 CBADMP COC[C@H](C)[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001420985673 907378464 /nfs/dbraw/zinc/37/84/64/907378464.db2.gz YFCGENZZNDDQDR-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP Cn1cc(C[NH2+]C2(CNC(=O)CCC[NH+](C)C)CC2)nn1 ZINC001420977383 907383452 /nfs/dbraw/zinc/38/34/52/907383452.db2.gz YHSPZYFOBIKEPY-UHFFFAOYSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2cn(C)nn2)CC1 ZINC001420990947 907385457 /nfs/dbraw/zinc/38/54/57/907385457.db2.gz IFADINMVDKMZOZ-UHFFFAOYSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2cn(C)nn2)CC1 ZINC001420990947 907385467 /nfs/dbraw/zinc/38/54/67/907385467.db2.gz IFADINMVDKMZOZ-UHFFFAOYSA-N 2 1 294.403 -0.105 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC(=O)N2CCC2)CC1 ZINC001420996576 907389447 /nfs/dbraw/zinc/38/94/47/907389447.db2.gz YEIJJFKWZNPBFI-UHFFFAOYSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CC(=O)N(C)C)C1 ZINC001421210936 907463372 /nfs/dbraw/zinc/46/33/72/907463372.db2.gz JGMYOQONNFTWOB-OAHLLOKOSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CC(=O)N(C)C)C1 ZINC001421210936 907463376 /nfs/dbraw/zinc/46/33/76/907463376.db2.gz JGMYOQONNFTWOB-OAHLLOKOSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC(=O)N(C)C)C1 ZINC001421210936 907463383 /nfs/dbraw/zinc/46/33/83/907463383.db2.gz JGMYOQONNFTWOB-OAHLLOKOSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001421210936 907463401 /nfs/dbraw/zinc/46/34/01/907463401.db2.gz JGMYOQONNFTWOB-OAHLLOKOSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001421244960 907473505 /nfs/dbraw/zinc/47/35/05/907473505.db2.gz AMUAOQZRMCPXJO-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001421244960 907473510 /nfs/dbraw/zinc/47/35/10/907473510.db2.gz AMUAOQZRMCPXJO-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001421244960 907473516 /nfs/dbraw/zinc/47/35/16/907473516.db2.gz AMUAOQZRMCPXJO-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001421244960 907473523 /nfs/dbraw/zinc/47/35/23/907473523.db2.gz AMUAOQZRMCPXJO-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@@]1(CNC(=O)Cn2ccnc2)CCC[N@H+](CC(N)=O)C1 ZINC001421291312 907484524 /nfs/dbraw/zinc/48/45/24/907484524.db2.gz CLKZPWFVLSELHZ-AWEZNQCLSA-N 2 1 293.371 -0.413 20 0 CBADMP C[C@@]1(CNC(=O)Cn2ccnc2)CCC[N@@H+](CC(N)=O)C1 ZINC001421291312 907484531 /nfs/dbraw/zinc/48/45/31/907484531.db2.gz CLKZPWFVLSELHZ-AWEZNQCLSA-N 2 1 293.371 -0.413 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001421384555 907514139 /nfs/dbraw/zinc/51/41/39/907514139.db2.gz RKVNXLYUZGGEFV-MNOVXSKESA-N 2 1 295.391 -0.711 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001421384555 907514147 /nfs/dbraw/zinc/51/41/47/907514147.db2.gz RKVNXLYUZGGEFV-MNOVXSKESA-N 2 1 295.391 -0.711 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC3CC3)C2)C1 ZINC001421383973 907514545 /nfs/dbraw/zinc/51/45/45/907514545.db2.gz DIEMDDOPPRQIKZ-UKRRQHHQSA-N 2 1 281.400 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CC3CC3)C2)C1 ZINC001421383973 907514565 /nfs/dbraw/zinc/51/45/65/907514565.db2.gz DIEMDDOPPRQIKZ-UKRRQHHQSA-N 2 1 281.400 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CC3CC3)C2)C1 ZINC001421383973 907514583 /nfs/dbraw/zinc/51/45/83/907514583.db2.gz DIEMDDOPPRQIKZ-UKRRQHHQSA-N 2 1 281.400 -0.099 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(N)=O ZINC001421425071 907541736 /nfs/dbraw/zinc/54/17/36/907541736.db2.gz YJLSJTVIHPQVQX-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001421529753 907575133 /nfs/dbraw/zinc/57/51/33/907575133.db2.gz NOMBIQKWWAGXDB-NWDGAFQWSA-N 2 1 293.371 -0.497 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001421570352 907581289 /nfs/dbraw/zinc/58/12/89/907581289.db2.gz HZQOFAMLPZLQCB-UTUOFQBUSA-N 2 1 282.388 -0.798 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001421727583 907625867 /nfs/dbraw/zinc/62/58/67/907625867.db2.gz IKUFGJQLDSSBIP-NSHDSACASA-N 2 1 295.387 -0.378 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001421759609 907635712 /nfs/dbraw/zinc/63/57/12/907635712.db2.gz OMRWNQQAMCJKMM-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nncn1C ZINC001421765373 907636989 /nfs/dbraw/zinc/63/69/89/907636989.db2.gz FTJGXBRKWMAPJV-RYUDHWBXSA-N 2 1 294.403 -0.391 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001421766987 907637928 /nfs/dbraw/zinc/63/79/28/907637928.db2.gz RAOHEQUFYBYMEN-NSHDSACASA-N 2 1 282.388 -0.416 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001422029812 907702018 /nfs/dbraw/zinc/70/20/18/907702018.db2.gz MJVHITCFRUOAQF-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C(C)C ZINC001422128096 907721770 /nfs/dbraw/zinc/72/17/70/907721770.db2.gz BQPLCDQUPFHNJK-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP CO[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001422334282 907807047 /nfs/dbraw/zinc/80/70/47/907807047.db2.gz RECOTODLAVMXIZ-NWDGAFQWSA-N 2 1 284.360 -0.707 20 0 CBADMP Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001422416569 907848220 /nfs/dbraw/zinc/84/82/20/907848220.db2.gz MDYYUNQODFDTQE-ZDUSSCGKSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001422454353 907867909 /nfs/dbraw/zinc/86/79/09/907867909.db2.gz YXNYFRNIZHEXRT-JQWIXIFHSA-N 2 1 293.371 -0.436 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC)C1 ZINC001422543891 907915413 /nfs/dbraw/zinc/91/54/13/907915413.db2.gz MDODZLYIABPXAZ-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)CC(=O)N(C)C ZINC001422548453 907917729 /nfs/dbraw/zinc/91/77/29/907917729.db2.gz DHLDKBLKTAUOIF-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@@H+](C)CC(=O)N(C)C ZINC001422548453 907917738 /nfs/dbraw/zinc/91/77/38/907917738.db2.gz DHLDKBLKTAUOIF-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001422553258 907921644 /nfs/dbraw/zinc/92/16/44/907921644.db2.gz PROZPNCZAUFYQC-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001422553258 907921654 /nfs/dbraw/zinc/92/16/54/907921654.db2.gz PROZPNCZAUFYQC-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001422587691 907935772 /nfs/dbraw/zinc/93/57/72/907935772.db2.gz YHSLJESTCCNOCZ-GHMZBOCLSA-N 2 1 272.393 -0.443 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001422592151 907936223 /nfs/dbraw/zinc/93/62/23/907936223.db2.gz YPGDQPNUALEMNR-SNVBAGLBSA-N 2 1 298.391 -0.956 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[N@@H+](C)CCO ZINC001422603945 907940499 /nfs/dbraw/zinc/94/04/99/907940499.db2.gz QRAHBHXOSZVZNP-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[NH+]1CCCC1 ZINC001422618607 907944681 /nfs/dbraw/zinc/94/46/81/907944681.db2.gz ZRSOEOKQRPZGCV-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422616530 907944708 /nfs/dbraw/zinc/94/47/08/907944708.db2.gz QAEFZCHQXSVCKM-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422616530 907944715 /nfs/dbraw/zinc/94/47/15/907944715.db2.gz QAEFZCHQXSVCKM-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001422632030 907953449 /nfs/dbraw/zinc/95/34/49/907953449.db2.gz NUYMAIBJMHGQPD-WDEREUQCSA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001422705694 907978671 /nfs/dbraw/zinc/97/86/71/907978671.db2.gz YMSVDKKVXOPRHC-TUAOUCFPSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001422705690 907981287 /nfs/dbraw/zinc/98/12/87/907981287.db2.gz YMSVDKKVXOPRHC-SRVKXCTJSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001422733304 907988351 /nfs/dbraw/zinc/98/83/51/907988351.db2.gz ZFMYPSDGNLPMOD-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CNC(=O)CN1CC([C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001422758475 907996266 /nfs/dbraw/zinc/99/62/66/907996266.db2.gz XUHCMBDRIWPGJX-NWDGAFQWSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)CN1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001422758472 907996696 /nfs/dbraw/zinc/99/66/96/907996696.db2.gz XUHCMBDRIWPGJX-NEPJUHHUSA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[NH+](C)C ZINC001422858139 908038857 /nfs/dbraw/zinc/03/88/57/908038857.db2.gz XLBHNBVQIOOHEL-YIYPIFLZSA-N 2 1 283.416 -0.141 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001422889663 908047076 /nfs/dbraw/zinc/04/70/76/908047076.db2.gz VJJWAPNLYDFYTE-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001422896902 908050814 /nfs/dbraw/zinc/05/08/14/908050814.db2.gz VSWRVRJQNBKVNN-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC ZINC001422903693 908052166 /nfs/dbraw/zinc/05/21/66/908052166.db2.gz VTUHRHXSASVMJM-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)CC(=O)NC ZINC001422903693 908052140 /nfs/dbraw/zinc/05/21/40/908052140.db2.gz VTUHRHXSASVMJM-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)CC(=O)NC ZINC001422903693 908052156 /nfs/dbraw/zinc/05/21/56/908052156.db2.gz VTUHRHXSASVMJM-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC ZINC001422903693 908052182 /nfs/dbraw/zinc/05/21/82/908052182.db2.gz VTUHRHXSASVMJM-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001422931215 908056971 /nfs/dbraw/zinc/05/69/71/908056971.db2.gz UBTBDOYMUFXKFN-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001422931215 908056988 /nfs/dbraw/zinc/05/69/88/908056988.db2.gz UBTBDOYMUFXKFN-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422931215 908057007 /nfs/dbraw/zinc/05/70/07/908057007.db2.gz UBTBDOYMUFXKFN-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422931215 908057020 /nfs/dbraw/zinc/05/70/20/908057020.db2.gz UBTBDOYMUFXKFN-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001422986887 908068604 /nfs/dbraw/zinc/06/86/04/908068604.db2.gz MSSXIEJFRFRPMJ-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001423169431 908125800 /nfs/dbraw/zinc/12/58/00/908125800.db2.gz QJYFZCRECISLGJ-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001423169431 908125808 /nfs/dbraw/zinc/12/58/08/908125808.db2.gz QJYFZCRECISLGJ-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423173149 908128224 /nfs/dbraw/zinc/12/82/24/908128224.db2.gz YYPPFIIDFWEQRX-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1)C(N)=O ZINC001423224696 908167966 /nfs/dbraw/zinc/16/79/66/908167966.db2.gz FPDHKNQOKHCJGD-WDEREUQCSA-N 2 1 282.388 -0.417 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+][C@@H](C)C(=O)NC)CC1 ZINC001423288234 908191587 /nfs/dbraw/zinc/19/15/87/908191587.db2.gz HUOAZPSCSMTAHA-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP CCNC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001423302328 908195380 /nfs/dbraw/zinc/19/53/80/908195380.db2.gz JWZAHEABNPNGOI-UHFFFAOYSA-N 2 1 293.371 -0.434 20 0 CBADMP C[NH+](C)[C@H](C(=O)NC[C@@H](CO)[NH2+]CCO)c1ccccc1 ZINC001423299801 908195585 /nfs/dbraw/zinc/19/55/85/908195585.db2.gz JSYDAGUXNHDNPR-KBPBESRZSA-N 2 1 295.383 -0.652 20 0 CBADMP CO[C@H](C)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001423304613 908197757 /nfs/dbraw/zinc/19/77/57/908197757.db2.gz QEDIIPFYPMYPJJ-PWSUYJOCSA-N 2 1 284.360 -0.707 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCCC[NH+]1C ZINC001423522775 908268742 /nfs/dbraw/zinc/26/87/42/908268742.db2.gz XJXJOSGOFLPWTG-CHWSQXEVSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001423522775 908268761 /nfs/dbraw/zinc/26/87/61/908268761.db2.gz XJXJOSGOFLPWTG-CHWSQXEVSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)[C@H]1CCCC[N@H+]1C ZINC001423522775 908268779 /nfs/dbraw/zinc/26/87/79/908268779.db2.gz XJXJOSGOFLPWTG-CHWSQXEVSA-N 2 1 287.404 -0.786 20 0 CBADMP C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423530766 908274009 /nfs/dbraw/zinc/27/40/09/908274009.db2.gz HQKNDEKTHDEHPW-QWHCGFSZSA-N 2 1 299.415 -0.786 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[N@H+](C)CCCO ZINC001423547380 908279244 /nfs/dbraw/zinc/27/92/44/908279244.db2.gz MBWXHSYTZRKOIX-CYBMUJFWSA-N 2 1 298.387 -0.675 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO ZINC001423547380 908279258 /nfs/dbraw/zinc/27/92/58/908279258.db2.gz MBWXHSYTZRKOIX-CYBMUJFWSA-N 2 1 298.387 -0.675 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001423746951 908321016 /nfs/dbraw/zinc/32/10/16/908321016.db2.gz YBHXIOQCGKHMQC-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001423746951 908321031 /nfs/dbraw/zinc/32/10/31/908321031.db2.gz YBHXIOQCGKHMQC-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001423746951 908321045 /nfs/dbraw/zinc/32/10/45/908321045.db2.gz YBHXIOQCGKHMQC-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC(C)[NH+]1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001423823763 908345336 /nfs/dbraw/zinc/34/53/36/908345336.db2.gz VUNINOZFYZRNFB-CYBMUJFWSA-N 2 1 281.400 -0.101 20 0 CBADMP CC(C)[NH+]1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001423823767 908347712 /nfs/dbraw/zinc/34/77/12/908347712.db2.gz VUNINOZFYZRNFB-ZDUSSCGKSA-N 2 1 281.400 -0.101 20 0 CBADMP CO[C@@H](C)CN1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001423914476 908368565 /nfs/dbraw/zinc/36/85/65/908368565.db2.gz VPCLWGBLSBHQOE-LBPRGKRZSA-N 2 1 287.404 -0.476 20 0 CBADMP CO[C@H](C)CN1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001423914458 908369180 /nfs/dbraw/zinc/36/91/80/908369180.db2.gz VPCLWGBLSBHQOE-GFCCVEGCSA-N 2 1 287.404 -0.476 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001423967934 908375830 /nfs/dbraw/zinc/37/58/30/908375830.db2.gz XRIIKJTZVWLSLE-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCC1 ZINC001424185200 908420833 /nfs/dbraw/zinc/42/08/33/908420833.db2.gz MCZQZFPTHWPMNE-UHFFFAOYSA-N 2 1 293.371 -0.434 20 0 CBADMP C[C@@H](O)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC[NH+](C)C)O2 ZINC001424365504 908450359 /nfs/dbraw/zinc/45/03/59/908450359.db2.gz MYLGPKLOPRRUKF-OLZOCXBDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001424414633 908456809 /nfs/dbraw/zinc/45/68/09/908456809.db2.gz RTEIRTOMIKKZSD-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001424492013 908464432 /nfs/dbraw/zinc/46/44/32/908464432.db2.gz UMHIVWDNADBXQP-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)[C@H]1CCC[NH+]1C ZINC001503854290 921412804 /nfs/dbraw/zinc/41/28/04/921412804.db2.gz TZEDDLNPLCUJLD-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001503854290 921412808 /nfs/dbraw/zinc/41/28/08/921412808.db2.gz TZEDDLNPLCUJLD-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001503854290 921412814 /nfs/dbraw/zinc/41/28/14/921412814.db2.gz TZEDDLNPLCUJLD-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001425062844 908563385 /nfs/dbraw/zinc/56/33/85/908563385.db2.gz COIYKTVZJGQNLF-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001425166747 908580419 /nfs/dbraw/zinc/58/04/19/908580419.db2.gz VGRUQJGIPMIPOV-CHWSQXEVSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001425247004 908592604 /nfs/dbraw/zinc/59/26/04/908592604.db2.gz CURXBNHSTCHXJT-WDEREUQCSA-N 2 1 284.404 -0.362 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001425316847 908616540 /nfs/dbraw/zinc/61/65/40/908616540.db2.gz AOZFXPLHTAQIIB-LPWJVIDDSA-N 2 1 296.415 -0.633 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001505445038 921426586 /nfs/dbraw/zinc/42/65/86/921426586.db2.gz NMKMIVUQIGFTFF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001505445038 921426595 /nfs/dbraw/zinc/42/65/95/921426595.db2.gz NMKMIVUQIGFTFF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(=O)N(C)C ZINC001425580606 908677195 /nfs/dbraw/zinc/67/71/95/908677195.db2.gz PUZUMIOVJKUSLV-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001425663046 908687884 /nfs/dbraw/zinc/68/78/84/908687884.db2.gz PQONOSBZOGEFIP-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001425678023 908690759 /nfs/dbraw/zinc/69/07/59/908690759.db2.gz CWJCBGMSHVHZTI-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCO)C1 ZINC001425704057 908697460 /nfs/dbraw/zinc/69/74/60/908697460.db2.gz XMSNWHPYFWMNEC-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCO)C1 ZINC001425704057 908697469 /nfs/dbraw/zinc/69/74/69/908697469.db2.gz XMSNWHPYFWMNEC-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP O=C(NC[C@H](CO)[NH2+]CCO)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001425751196 908724761 /nfs/dbraw/zinc/72/47/61/908724761.db2.gz IVAPVLIYUJSSOK-TZMCWYRMSA-N 2 1 299.415 -0.548 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccnc2)C1 ZINC001425844981 908763027 /nfs/dbraw/zinc/76/30/27/908763027.db2.gz VPQJVZMZMHYWFQ-KGLIPLIRSA-N 2 1 292.383 -0.400 20 0 CBADMP C[C@H]1C[C@H]([NH2+]Cc2nncn2C)CN1C(=O)CC[NH+](C)C ZINC001425905281 908778187 /nfs/dbraw/zinc/77/81/87/908778187.db2.gz OFDAMCYSHSLYBA-RYUDHWBXSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001425917560 908781925 /nfs/dbraw/zinc/78/19/25/908781925.db2.gz ONPLISFYZCBUSY-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001425970738 908790885 /nfs/dbraw/zinc/79/08/85/908790885.db2.gz JNGMOXVXDSDYDW-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001430097524 909289286 /nfs/dbraw/zinc/28/92/86/909289286.db2.gz YCPSYRQPCBLKLK-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001431692926 909526209 /nfs/dbraw/zinc/52/62/09/909526209.db2.gz JSRUGJFFWZAVFT-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)CC(N)=O ZINC001505991234 921520912 /nfs/dbraw/zinc/52/09/12/921520912.db2.gz OLJOHEKUYJYLSB-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)CC(N)=O ZINC001505991234 921520922 /nfs/dbraw/zinc/52/09/22/921520922.db2.gz OLJOHEKUYJYLSB-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001506056531 921534406 /nfs/dbraw/zinc/53/44/06/921534406.db2.gz IWKBEVKYOMIWMV-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001506056531 921534415 /nfs/dbraw/zinc/53/44/15/921534415.db2.gz IWKBEVKYOMIWMV-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP COC[C@](C)(CC(=O)OC)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC001434461687 910198118 /nfs/dbraw/zinc/19/81/18/910198118.db2.gz LOJYQTYCNPNPGU-JSGCOSHPSA-N 2 1 288.388 -0.001 20 0 CBADMP COC[C@](C)(CC(=O)OC)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC001434461687 910198130 /nfs/dbraw/zinc/19/81/30/910198130.db2.gz LOJYQTYCNPNPGU-JSGCOSHPSA-N 2 1 288.388 -0.001 20 0 CBADMP C[N@H+](C[C@H](O)C[NH+]1C[C@@H](CO)[C@H](CCO)C1)C1CC1 ZINC001434497598 910236819 /nfs/dbraw/zinc/23/68/19/910236819.db2.gz LKDNCOXTFCNWEB-DYEKYZERSA-N 2 1 272.389 -0.636 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H](CO)[C@H](CCO)C1)C1CC1 ZINC001434497598 910236839 /nfs/dbraw/zinc/23/68/39/910236839.db2.gz LKDNCOXTFCNWEB-DYEKYZERSA-N 2 1 272.389 -0.636 20 0 CBADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H](CO)[C@H](CCO)C1)C1CC1 ZINC001434497598 910236858 /nfs/dbraw/zinc/23/68/58/910236858.db2.gz LKDNCOXTFCNWEB-DYEKYZERSA-N 2 1 272.389 -0.636 20 0 CBADMP C[NH+](C[C@H](O)C[N@H+]1C[C@@H](CO)[C@H](CCO)C1)C1CC1 ZINC001434497598 910236880 /nfs/dbraw/zinc/23/68/80/910236880.db2.gz LKDNCOXTFCNWEB-DYEKYZERSA-N 2 1 272.389 -0.636 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001436932766 910508264 /nfs/dbraw/zinc/50/82/64/910508264.db2.gz WQPNZKDFYAETET-HAQNSBGRSA-N 2 1 293.371 -0.483 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001437216751 910588550 /nfs/dbraw/zinc/58/85/50/910588550.db2.gz VSBQUWNPOXUNTK-JTQLQIEISA-N 2 1 281.360 -0.414 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCN1CCNC1=O ZINC001437263153 910601666 /nfs/dbraw/zinc/60/16/66/910601666.db2.gz RKGSDQJHJMPDLB-NWDGAFQWSA-N 2 1 297.403 -0.942 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001437380479 910624806 /nfs/dbraw/zinc/62/48/06/910624806.db2.gz LBVLPITXUCUYBZ-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001437516159 910670565 /nfs/dbraw/zinc/67/05/65/910670565.db2.gz GOGZDEGTTLNDTP-RYUDHWBXSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001437516159 910670572 /nfs/dbraw/zinc/67/05/72/910670572.db2.gz GOGZDEGTTLNDTP-RYUDHWBXSA-N 2 1 286.420 -0.149 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCN(C)[C@@H]1CCNC1=O ZINC001437546893 910683638 /nfs/dbraw/zinc/68/36/38/910683638.db2.gz BPZUGVVEEVMJCV-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001437546893 910683651 /nfs/dbraw/zinc/68/36/51/910683651.db2.gz BPZUGVVEEVMJCV-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001437546893 910683656 /nfs/dbraw/zinc/68/36/56/910683656.db2.gz BPZUGVVEEVMJCV-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001437546893 910683669 /nfs/dbraw/zinc/68/36/69/910683669.db2.gz BPZUGVVEEVMJCV-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCN(C)[C@H]1CCNC1=O ZINC001437546899 910684125 /nfs/dbraw/zinc/68/41/25/910684125.db2.gz BPZUGVVEEVMJCV-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001437546899 910684136 /nfs/dbraw/zinc/68/41/36/910684136.db2.gz BPZUGVVEEVMJCV-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001437546899 910684143 /nfs/dbraw/zinc/68/41/43/910684143.db2.gz BPZUGVVEEVMJCV-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001437546899 910684168 /nfs/dbraw/zinc/68/41/68/910684168.db2.gz BPZUGVVEEVMJCV-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001437569470 910687421 /nfs/dbraw/zinc/68/74/21/910687421.db2.gz IPBMYCNEEYCDAK-NSHDSACASA-N 2 1 270.377 -0.737 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001437569470 910687427 /nfs/dbraw/zinc/68/74/27/910687427.db2.gz IPBMYCNEEYCDAK-NSHDSACASA-N 2 1 270.377 -0.737 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001437569470 910687437 /nfs/dbraw/zinc/68/74/37/910687437.db2.gz IPBMYCNEEYCDAK-NSHDSACASA-N 2 1 270.377 -0.737 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001437569470 910687446 /nfs/dbraw/zinc/68/74/46/910687446.db2.gz IPBMYCNEEYCDAK-NSHDSACASA-N 2 1 270.377 -0.737 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](CC)[C@H]1CCN(C)C1=O ZINC001437640736 910705961 /nfs/dbraw/zinc/70/59/61/910705961.db2.gz SYCSRLYNNZKMTM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@H+](CC)[C@H]1CCN(C)C1=O ZINC001437640736 910705979 /nfs/dbraw/zinc/70/59/79/910705979.db2.gz SYCSRLYNNZKMTM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](CC)[C@H]1CCN(C)C1=O ZINC001437640736 910705998 /nfs/dbraw/zinc/70/59/98/910705998.db2.gz SYCSRLYNNZKMTM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001437682888 910722877 /nfs/dbraw/zinc/72/28/77/910722877.db2.gz SJRCTQTXRITQGC-ZDUSSCGKSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001437682888 910722895 /nfs/dbraw/zinc/72/28/95/910722895.db2.gz SJRCTQTXRITQGC-ZDUSSCGKSA-N 2 1 296.415 -0.216 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001437724432 910731936 /nfs/dbraw/zinc/73/19/36/910731936.db2.gz RJOZIQLMFXHLPA-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001437724430 910735867 /nfs/dbraw/zinc/73/58/67/910735867.db2.gz RJOZIQLMFXHLPA-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001506652469 921601406 /nfs/dbraw/zinc/60/14/06/921601406.db2.gz YMLIHNCLWMSYNZ-CMPLNLGQSA-N 2 1 282.388 -0.737 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C1CC1)[C@H]1CCNC1=O ZINC001437810614 910750368 /nfs/dbraw/zinc/75/03/68/910750368.db2.gz BOFMYLVJZYQETL-ZDUSSCGKSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C1CC1)[C@H]1CCNC1=O ZINC001437810614 910750380 /nfs/dbraw/zinc/75/03/80/910750380.db2.gz BOFMYLVJZYQETL-ZDUSSCGKSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001437810614 910750390 /nfs/dbraw/zinc/75/03/90/910750390.db2.gz BOFMYLVJZYQETL-ZDUSSCGKSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001437810614 910750398 /nfs/dbraw/zinc/75/03/98/910750398.db2.gz BOFMYLVJZYQETL-ZDUSSCGKSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001437820076 910755827 /nfs/dbraw/zinc/75/58/27/910755827.db2.gz OIDGCJMKUXFWIY-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001437820076 910755840 /nfs/dbraw/zinc/75/58/40/910755840.db2.gz OIDGCJMKUXFWIY-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001437846639 910765117 /nfs/dbraw/zinc/76/51/17/910765117.db2.gz XXKGWIWGOHKCDJ-NSHDSACASA-N 2 1 295.387 -0.072 20 0 CBADMP CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001437935144 910778393 /nfs/dbraw/zinc/77/83/93/910778393.db2.gz AFAPFMLDKUZVPI-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001438209411 910841241 /nfs/dbraw/zinc/84/12/41/910841241.db2.gz FPBXZMLHWWNAKP-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001438209411 910841254 /nfs/dbraw/zinc/84/12/54/910841254.db2.gz FPBXZMLHWWNAKP-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001438209798 910842509 /nfs/dbraw/zinc/84/25/09/910842509.db2.gz YLVKVUILFJRXFQ-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001438209798 910842520 /nfs/dbraw/zinc/84/25/20/910842520.db2.gz YLVKVUILFJRXFQ-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001438381257 910886751 /nfs/dbraw/zinc/88/67/51/910886751.db2.gz WPHQUYFRSNXGCL-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001438553752 910915293 /nfs/dbraw/zinc/91/52/93/910915293.db2.gz QNEFYCUPKPGIIW-LBPRGKRZSA-N 2 1 286.420 -0.243 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001438545757 910916697 /nfs/dbraw/zinc/91/66/97/910916697.db2.gz QWGRXTZDOJMJDG-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21)C1CCC1 ZINC001506796964 921617802 /nfs/dbraw/zinc/61/78/02/921617802.db2.gz WGGHYBMUDLNPGA-XYYAHUGASA-N 2 1 294.399 -0.750 20 0 CBADMP C[NH+](CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)C1CCC1 ZINC001506796964 921617813 /nfs/dbraw/zinc/61/78/13/921617813.db2.gz WGGHYBMUDLNPGA-XYYAHUGASA-N 2 1 294.399 -0.750 20 0 CBADMP C[NH+](CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)C1CCC1 ZINC001506796964 921617819 /nfs/dbraw/zinc/61/78/19/921617819.db2.gz WGGHYBMUDLNPGA-XYYAHUGASA-N 2 1 294.399 -0.750 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)CC[N@@H+]1C ZINC001438992414 911041352 /nfs/dbraw/zinc/04/13/52/911041352.db2.gz RVBUITULAXHAFS-RAIGVLPGSA-N 2 1 296.371 -0.419 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)CC[N@H+]1C ZINC001438992414 911041369 /nfs/dbraw/zinc/04/13/69/911041369.db2.gz RVBUITULAXHAFS-RAIGVLPGSA-N 2 1 296.371 -0.419 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1)[NH+](C)C ZINC001438996595 911048163 /nfs/dbraw/zinc/04/81/63/911048163.db2.gz GCNXOHRPNSGZKO-NWDGAFQWSA-N 2 1 295.387 -0.617 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001439031462 911068569 /nfs/dbraw/zinc/06/85/69/911068569.db2.gz KULSTZYQUOTENR-ZDUSSCGKSA-N 2 1 285.388 -0.815 20 0 CBADMP Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001439049073 911072292 /nfs/dbraw/zinc/07/22/92/911072292.db2.gz WXJUCRQNIGNNDE-NEPJUHHUSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001439049073 911072309 /nfs/dbraw/zinc/07/23/09/911072309.db2.gz WXJUCRQNIGNNDE-NEPJUHHUSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001439049077 911072517 /nfs/dbraw/zinc/07/25/17/911072517.db2.gz WXJUCRQNIGNNDE-VXGBXAGGSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001439049077 911072533 /nfs/dbraw/zinc/07/25/33/911072533.db2.gz WXJUCRQNIGNNDE-VXGBXAGGSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001439056818 911078083 /nfs/dbraw/zinc/07/80/83/911078083.db2.gz NYVKRRRAUPWJET-OLZOCXBDSA-N 2 1 296.371 -0.705 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CC[NH2+][C@H](C)C(N)=O ZINC001439067464 911083543 /nfs/dbraw/zinc/08/35/43/911083543.db2.gz DXUPYAHTRNXEAU-VHSXEESVSA-N 2 1 281.360 -0.450 20 0 CBADMP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001439076293 911086560 /nfs/dbraw/zinc/08/65/60/911086560.db2.gz XNRXQFKSQGVMLK-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439083912 911096167 /nfs/dbraw/zinc/09/61/67/911096167.db2.gz MDXAVIVUWANGJZ-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001506885051 921633703 /nfs/dbraw/zinc/63/37/03/921633703.db2.gz JFDQVKBIFKIUPB-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001439118496 911110381 /nfs/dbraw/zinc/11/03/81/911110381.db2.gz FNZAXXYZHGPNFS-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001506906042 921638535 /nfs/dbraw/zinc/63/85/35/921638535.db2.gz NNDRRBSLXUJDMT-IHRRRGAJSA-N 2 1 299.415 -0.569 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001506904155 921638952 /nfs/dbraw/zinc/63/89/52/921638952.db2.gz SVHOSZKHPORXQO-IJLUTSLNSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@H](C)C(=O)NC ZINC001439390785 911198047 /nfs/dbraw/zinc/19/80/47/911198047.db2.gz WIJUAHLPQLIKDI-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@H](C)C(=O)NC ZINC001439390785 911198056 /nfs/dbraw/zinc/19/80/56/911198056.db2.gz WIJUAHLPQLIKDI-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(=O)NC ZINC001439390785 911198061 /nfs/dbraw/zinc/19/80/61/911198061.db2.gz WIJUAHLPQLIKDI-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(=O)NC ZINC001439390785 911198073 /nfs/dbraw/zinc/19/80/73/911198073.db2.gz WIJUAHLPQLIKDI-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001439454970 911211577 /nfs/dbraw/zinc/21/15/77/911211577.db2.gz JOLPYSVVBROEIR-ZDUSSCGKSA-N 2 1 296.415 -0.299 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1 ZINC001439671570 911272405 /nfs/dbraw/zinc/27/24/05/911272405.db2.gz KAUCFVIDWRKLPO-VIFPVBQESA-N 2 1 279.344 -0.696 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001439782051 911286824 /nfs/dbraw/zinc/28/68/24/911286824.db2.gz GBRMOMHPMZVILQ-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC(N)=O)C1 ZINC001439937048 911310162 /nfs/dbraw/zinc/31/01/62/911310162.db2.gz RLEBLWMNJOYIRC-SWLSCSKDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC(N)=O)C1 ZINC001439937048 911310185 /nfs/dbraw/zinc/31/01/85/911310185.db2.gz RLEBLWMNJOYIRC-SWLSCSKDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CC(N)=O)C1 ZINC001439937048 911310207 /nfs/dbraw/zinc/31/02/07/911310207.db2.gz RLEBLWMNJOYIRC-SWLSCSKDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CC(N)=O)C1 ZINC001439937048 911310227 /nfs/dbraw/zinc/31/02/27/911310227.db2.gz RLEBLWMNJOYIRC-SWLSCSKDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001440010363 911340136 /nfs/dbraw/zinc/34/01/36/911340136.db2.gz MOLLSXVRZZBMJI-IUODEOHRSA-N 2 1 299.415 -0.738 20 0 CBADMP C[C@@H](O)CN1CC(O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001440053970 911369327 /nfs/dbraw/zinc/36/93/27/911369327.db2.gz DWGTVSJSRXWOBH-CHWSQXEVSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCN2CCC([NH2+]CCO)CC2)C1 ZINC001440157108 911392018 /nfs/dbraw/zinc/39/20/18/911392018.db2.gz JUMYYISFJOESNA-CYBMUJFWSA-N 2 1 298.431 -0.899 20 0 CBADMP C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001440300584 911423609 /nfs/dbraw/zinc/42/36/09/911423609.db2.gz GKVNFDSWIVJUQP-QNWHQSFQSA-N 2 1 296.415 -0.314 20 0 CBADMP C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001440300582 911424230 /nfs/dbraw/zinc/42/42/30/911424230.db2.gz GKVNFDSWIVJUQP-LPWJVIDDSA-N 2 1 296.415 -0.314 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001440359169 911437794 /nfs/dbraw/zinc/43/77/94/911437794.db2.gz SFBIFYOTBUJSOE-FDYHWXHSSA-N 2 1 296.415 -0.301 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001440373713 911440274 /nfs/dbraw/zinc/44/02/74/911440274.db2.gz XNLUCVPOWUWNEY-JOCQHMNTSA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@@H+](CC(=O)N1CCC(C)([NH2+]CC(N)=O)CC1)C1CCC1 ZINC001440599104 911479661 /nfs/dbraw/zinc/47/96/61/911479661.db2.gz PRQJREDCEDXSFH-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC001440690295 911492509 /nfs/dbraw/zinc/49/25/09/911492509.db2.gz HAHCUJIHRYQJRE-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@@H+](CC(=O)NC1(CO)CC[NH+](CCO)CC1)C1CCC1 ZINC001440693676 911495704 /nfs/dbraw/zinc/49/57/04/911495704.db2.gz GFZUIRKHZYCCEB-UHFFFAOYSA-N 2 1 299.415 -0.594 20 0 CBADMP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001440753724 911503336 /nfs/dbraw/zinc/50/33/36/911503336.db2.gz POVOEUJWKNDSGJ-IKWCTNDRSA-N 2 1 296.415 -0.443 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001441005362 911580501 /nfs/dbraw/zinc/58/05/01/911580501.db2.gz AQLDCQFFBIVUHX-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001441005362 911580514 /nfs/dbraw/zinc/58/05/14/911580514.db2.gz AQLDCQFFBIVUHX-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441005362 911580528 /nfs/dbraw/zinc/58/05/28/911580528.db2.gz AQLDCQFFBIVUHX-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441005362 911580544 /nfs/dbraw/zinc/58/05/44/911580544.db2.gz AQLDCQFFBIVUHX-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001441199774 911620812 /nfs/dbraw/zinc/62/08/12/911620812.db2.gz FEKDLLJXYXJYJH-VXGBXAGGSA-N 2 1 282.388 -0.560 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCCO ZINC001507110535 921679315 /nfs/dbraw/zinc/67/93/15/921679315.db2.gz NHNKGFGCXOYIQO-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001441274773 911637446 /nfs/dbraw/zinc/63/74/46/911637446.db2.gz BTHXXEVFVKQQKW-FIQHERPVSA-N 2 1 282.388 -0.894 20 0 CBADMP C[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2 ZINC001441340873 911647866 /nfs/dbraw/zinc/64/78/66/911647866.db2.gz JDBKZPICIIJVTF-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP C[NH+](C)CCC(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC001441340873 911647872 /nfs/dbraw/zinc/64/78/72/911647872.db2.gz JDBKZPICIIJVTF-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001441398529 911661814 /nfs/dbraw/zinc/66/18/14/911661814.db2.gz NBGZWIOLINDHFG-FDYHWXHSSA-N 2 1 296.415 -0.158 20 0 CBADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001441425968 911665479 /nfs/dbraw/zinc/66/54/79/911665479.db2.gz XIYKCHUIODQJGB-XYPYZODXSA-N 2 1 295.391 -0.711 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001441483930 911682365 /nfs/dbraw/zinc/68/23/65/911682365.db2.gz BUVMSBWDDJODEN-UTUOFQBUSA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001441657975 911725564 /nfs/dbraw/zinc/72/55/64/911725564.db2.gz MHPZMCRWHUBXST-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001441657975 911725581 /nfs/dbraw/zinc/72/55/81/911725581.db2.gz MHPZMCRWHUBXST-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001441771458 911795126 /nfs/dbraw/zinc/79/51/26/911795126.db2.gz WYYVUGVXCLJASJ-OLZOCXBDSA-N 2 1 287.404 -0.692 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001442164378 911943271 /nfs/dbraw/zinc/94/32/71/911943271.db2.gz ZNEYEKBJMBHVAV-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001442336866 911974632 /nfs/dbraw/zinc/97/46/32/911974632.db2.gz HDFPYHHVFYQYJS-WDEREUQCSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001442415810 912007226 /nfs/dbraw/zinc/00/72/26/912007226.db2.gz OKWZAPRNAJOPMN-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001442415810 912007240 /nfs/dbraw/zinc/00/72/40/912007240.db2.gz OKWZAPRNAJOPMN-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC001442641037 912069147 /nfs/dbraw/zinc/06/91/47/912069147.db2.gz RNUJBWXUNSFJTQ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC001442641037 912069159 /nfs/dbraw/zinc/06/91/59/912069159.db2.gz RNUJBWXUNSFJTQ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)N(C)C ZINC001442641037 912069173 /nfs/dbraw/zinc/06/91/73/912069173.db2.gz RNUJBWXUNSFJTQ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)N(C)C ZINC001442641037 912069185 /nfs/dbraw/zinc/06/91/85/912069185.db2.gz RNUJBWXUNSFJTQ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001442928826 912128813 /nfs/dbraw/zinc/12/88/13/912128813.db2.gz CCGCSIXXVSKHAS-ZDUSSCGKSA-N 2 1 296.415 -0.358 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001442928826 912128821 /nfs/dbraw/zinc/12/88/21/912128821.db2.gz CCGCSIXXVSKHAS-ZDUSSCGKSA-N 2 1 296.415 -0.358 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001443073400 912148162 /nfs/dbraw/zinc/14/81/62/912148162.db2.gz DHUXPOMKYBDXEG-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001443090029 912151311 /nfs/dbraw/zinc/15/13/11/912151311.db2.gz IOIPROSBISUOCF-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001443093677 912155684 /nfs/dbraw/zinc/15/56/84/912155684.db2.gz AWYLFWZOFNCOHP-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001443100310 912156933 /nfs/dbraw/zinc/15/69/33/912156933.db2.gz UDVUFXOKIDAZCP-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP C[N@@H+](CC(=O)NC12CC[NH+](CC1)C2)[C@@H]1CCC[C@H]1O ZINC001471078714 915551164 /nfs/dbraw/zinc/55/11/64/915551164.db2.gz NKSMOGYFYFCINU-VXGBXAGGSA-N 2 1 267.373 -0.204 20 0 CBADMP CC[N@@H+]1CC[C@H]1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001471374151 915582769 /nfs/dbraw/zinc/58/27/69/915582769.db2.gz PNOYNVJCSNPJAO-AAEUAGOBSA-N 2 1 255.362 -0.394 20 0 CBADMP CC[N@H+]1CC[C@H]1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001471374151 915582777 /nfs/dbraw/zinc/58/27/77/915582777.db2.gz PNOYNVJCSNPJAO-AAEUAGOBSA-N 2 1 255.362 -0.394 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCOC2CCC2)C1 ZINC001507261410 921792265 /nfs/dbraw/zinc/79/22/65/921792265.db2.gz SBTMXZSQOLVZTG-OLZOCXBDSA-N 2 1 299.415 -0.426 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CN1CC[NH+](C)CC1 ZINC001472580740 915753316 /nfs/dbraw/zinc/75/33/16/915753316.db2.gz ZRQYADMRUXUONW-ZDUSSCGKSA-N 2 1 268.405 -0.214 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)CN1CC[NH+](C)CC1 ZINC001472580740 915753330 /nfs/dbraw/zinc/75/33/30/915753330.db2.gz ZRQYADMRUXUONW-ZDUSSCGKSA-N 2 1 268.405 -0.214 20 0 CBADMP C[NH+]1CCN(CC(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)CC1 ZINC001472621599 915756096 /nfs/dbraw/zinc/75/60/96/915756096.db2.gz BPPMMEMZCJJLAF-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP C[NH+]1CCN(CC(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)CC1 ZINC001472621599 915756107 /nfs/dbraw/zinc/75/61/07/915756107.db2.gz BPPMMEMZCJJLAF-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC001472626944 915756847 /nfs/dbraw/zinc/75/68/47/915756847.db2.gz OGZJDKKTZCLYJJ-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC001472626944 915756855 /nfs/dbraw/zinc/75/68/55/915756855.db2.gz OGZJDKKTZCLYJJ-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC001472626944 915756870 /nfs/dbraw/zinc/75/68/70/915756870.db2.gz OGZJDKKTZCLYJJ-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP O=C1C[C@@H](C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)CN1 ZINC001473657960 915849190 /nfs/dbraw/zinc/84/91/90/915849190.db2.gz CIAMQQXRZQGQMK-DGCLKSJQSA-N 2 1 267.373 -0.347 20 0 CBADMP O=C1C[C@@H](C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)CN1 ZINC001473657962 915849573 /nfs/dbraw/zinc/84/95/73/915849573.db2.gz CIAMQQXRZQGQMK-YPMHNXCESA-N 2 1 267.373 -0.347 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C3(O)CCOCC3)C[C@@H]2C1 ZINC001473703451 915849660 /nfs/dbraw/zinc/84/96/60/915849660.db2.gz NFJSZXZOTXDOPK-HZSPNIEDSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)C3(O)CCOCC3)C[C@@H]2C1 ZINC001473703451 915849674 /nfs/dbraw/zinc/84/96/74/915849674.db2.gz NFJSZXZOTXDOPK-HZSPNIEDSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)C3(O)CCOCC3)C[C@@H]2C1 ZINC001473703451 915849684 /nfs/dbraw/zinc/84/96/84/915849684.db2.gz NFJSZXZOTXDOPK-HZSPNIEDSA-N 2 1 284.400 -0.228 20 0 CBADMP O=C1C[C@H](C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)CN1 ZINC001473657959 915850455 /nfs/dbraw/zinc/85/04/55/915850455.db2.gz CIAMQQXRZQGQMK-AAEUAGOBSA-N 2 1 267.373 -0.347 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H](CO)[C@H](CCO)C1 ZINC001473891582 915878635 /nfs/dbraw/zinc/87/86/35/915878635.db2.gz BJPQZVOJLACARD-RDBSUJKOSA-N 2 1 274.405 -0.390 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001473891582 915878649 /nfs/dbraw/zinc/87/86/49/915878649.db2.gz BJPQZVOJLACARD-RDBSUJKOSA-N 2 1 274.405 -0.390 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001473891582 915878665 /nfs/dbraw/zinc/87/86/65/915878665.db2.gz BJPQZVOJLACARD-RDBSUJKOSA-N 2 1 274.405 -0.390 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H](CCO)[C@H](CO)C1 ZINC001473891579 915879127 /nfs/dbraw/zinc/87/91/27/915879127.db2.gz BJPQZVOJLACARD-IHRRRGAJSA-N 2 1 274.405 -0.390 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](CCO)[C@H](CO)C1 ZINC001473891579 915879136 /nfs/dbraw/zinc/87/91/36/915879136.db2.gz BJPQZVOJLACARD-IHRRRGAJSA-N 2 1 274.405 -0.390 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](CCO)[C@H](CO)C1 ZINC001473891579 915879153 /nfs/dbraw/zinc/87/91/53/915879153.db2.gz BJPQZVOJLACARD-IHRRRGAJSA-N 2 1 274.405 -0.390 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001479272581 916105637 /nfs/dbraw/zinc/10/56/37/916105637.db2.gz WSYMGFYMMHYHDV-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001479322596 916117390 /nfs/dbraw/zinc/11/73/90/916117390.db2.gz WBIZXHLRGAQSLO-UTUOFQBUSA-N 2 1 282.388 -0.702 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001479337486 916117436 /nfs/dbraw/zinc/11/74/36/916117436.db2.gz ANOAVNSEKGWETH-PHIMTYICSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@@H](O)C[N@H+](C)CCCNC(=O)CC[NH+]1CCOCC1 ZINC001479802538 916180893 /nfs/dbraw/zinc/18/08/93/916180893.db2.gz TUBGFZDPWNLZMI-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCCNC(=O)CC[NH+]1CCOCC1 ZINC001479802538 916180901 /nfs/dbraw/zinc/18/09/01/916180901.db2.gz TUBGFZDPWNLZMI-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[C@@H](C(=O)NCCC[N@@H+](C)[C@@H](C)C(=O)NC)[NH+](C)C ZINC001479808122 916183480 /nfs/dbraw/zinc/18/34/80/916183480.db2.gz QDSUSRUDRVUPRL-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCCO)C1)[NH+](C)C ZINC001479968963 916242482 /nfs/dbraw/zinc/24/24/82/916242482.db2.gz LPQAEJQNBRULAC-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCCN2CC[NH+](CCO)CC2)C1 ZINC001479923051 916219683 /nfs/dbraw/zinc/21/96/83/916219683.db2.gz OJVOPNOVOOMICX-CQSZACIVSA-N 2 1 298.431 -0.946 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCN(CCO)CC2)C1 ZINC001479923051 916219705 /nfs/dbraw/zinc/21/97/05/916219705.db2.gz OJVOPNOVOOMICX-CQSZACIVSA-N 2 1 298.431 -0.946 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCN(CCO)CC2)C1 ZINC001479923051 916219721 /nfs/dbraw/zinc/21/97/21/916219721.db2.gz OJVOPNOVOOMICX-CQSZACIVSA-N 2 1 298.431 -0.946 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001480034664 916269677 /nfs/dbraw/zinc/26/96/77/916269677.db2.gz RRMXPQBITRCEOZ-LLVKDONJSA-N 2 1 279.344 -0.839 20 0 CBADMP Cn1nnnc1C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001480044794 916272477 /nfs/dbraw/zinc/27/24/77/916272477.db2.gz RNANULBPBLAMJD-LLVKDONJSA-N 2 1 295.391 -0.854 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)CC(N)=O)C1 ZINC001480084388 916284226 /nfs/dbraw/zinc/28/42/26/916284226.db2.gz IEJVDQRYSOSPAR-CYBMUJFWSA-N 2 1 298.431 -0.016 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001480084388 916284244 /nfs/dbraw/zinc/28/42/44/916284244.db2.gz IEJVDQRYSOSPAR-CYBMUJFWSA-N 2 1 298.431 -0.016 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001480084388 916284262 /nfs/dbraw/zinc/28/42/62/916284262.db2.gz IEJVDQRYSOSPAR-CYBMUJFWSA-N 2 1 298.431 -0.016 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1)C1CCC1 ZINC001480141307 916307922 /nfs/dbraw/zinc/30/79/22/916307922.db2.gz BVVZTYFFEXKQFD-XYPYZODXSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001480157165 916313716 /nfs/dbraw/zinc/31/37/16/916313716.db2.gz ISGHPUONYKMUOD-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1)C(N)=O ZINC001480173857 916318892 /nfs/dbraw/zinc/31/88/92/916318892.db2.gz OQFQEEWSOKGNKD-IJLUTSLNSA-N 2 1 284.404 -0.173 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001480228777 916338574 /nfs/dbraw/zinc/33/85/74/916338574.db2.gz YCYJHERVRZUHNP-RWMBFGLXSA-N 2 1 285.388 -0.674 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001480233497 916338967 /nfs/dbraw/zinc/33/89/67/916338967.db2.gz CYCALIUBOONUKI-PHIMTYICSA-N 2 1 295.391 -0.711 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001480233497 916338986 /nfs/dbraw/zinc/33/89/86/916338986.db2.gz CYCALIUBOONUKI-PHIMTYICSA-N 2 1 295.391 -0.711 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480231910 916339067 /nfs/dbraw/zinc/33/90/67/916339067.db2.gz HVOAEFLORZBVFS-ZDEQEGDKSA-N 2 1 296.415 -0.301 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001480301988 916355450 /nfs/dbraw/zinc/35/54/50/916355450.db2.gz DBLDJSGHNCETDZ-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cnn(C)c1 ZINC001480438198 916401539 /nfs/dbraw/zinc/40/15/39/916401539.db2.gz IMOSBFAUKRWKQI-DGCLKSJQSA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cnn(C)c1 ZINC001480438198 916401544 /nfs/dbraw/zinc/40/15/44/916401544.db2.gz IMOSBFAUKRWKQI-DGCLKSJQSA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cnn(C)c1 ZINC001480438202 916404466 /nfs/dbraw/zinc/40/44/66/916404466.db2.gz IMOSBFAUKRWKQI-YPMHNXCESA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cnn(C)c1 ZINC001480438202 916404477 /nfs/dbraw/zinc/40/44/77/916404477.db2.gz IMOSBFAUKRWKQI-YPMHNXCESA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001480478491 916436732 /nfs/dbraw/zinc/43/67/32/916436732.db2.gz ZKGIHEAWPYXIPI-ZYHUDNBSSA-N 2 1 282.388 -0.547 20 0 CBADMP COCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480612602 916494546 /nfs/dbraw/zinc/49/45/46/916494546.db2.gz AKJASYLYCNUSGG-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480639427 916506155 /nfs/dbraw/zinc/50/61/55/916506155.db2.gz ZNEYEKBJMBHVAV-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001480808687 916545418 /nfs/dbraw/zinc/54/54/18/916545418.db2.gz OIUROYXRZQDFRH-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC[C@H]1CCCO1 ZINC001480851787 916576365 /nfs/dbraw/zinc/57/63/65/916576365.db2.gz GZPBVBHQJSJYMR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC[C@H]1CCCO1 ZINC001480851787 916576381 /nfs/dbraw/zinc/57/63/81/916576381.db2.gz GZPBVBHQJSJYMR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)CC[C@H]1CCCO1 ZINC001480851787 916576399 /nfs/dbraw/zinc/57/63/99/916576399.db2.gz GZPBVBHQJSJYMR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC[C@H]1CCCO1 ZINC001480851787 916576406 /nfs/dbraw/zinc/57/64/06/916576406.db2.gz GZPBVBHQJSJYMR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480865465 916594637 /nfs/dbraw/zinc/59/46/37/916594637.db2.gz HKRBHQIDZNEQAH-GRYCIOLGSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480865465 916594649 /nfs/dbraw/zinc/59/46/49/916594649.db2.gz HKRBHQIDZNEQAH-GRYCIOLGSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480865465 916594652 /nfs/dbraw/zinc/59/46/52/916594652.db2.gz HKRBHQIDZNEQAH-GRYCIOLGSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480865465 916594668 /nfs/dbraw/zinc/59/46/68/916594668.db2.gz HKRBHQIDZNEQAH-GRYCIOLGSA-N 2 1 284.404 -0.491 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480873949 916595456 /nfs/dbraw/zinc/59/54/56/916595456.db2.gz WHDTWJOFFQJBIB-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480873949 916595472 /nfs/dbraw/zinc/59/54/72/916595472.db2.gz WHDTWJOFFQJBIB-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP CN1CC[C@H]([N@H+](C)CCNC(=O)C[NH+](C)C2CCC2)C1=O ZINC001480874316 916602318 /nfs/dbraw/zinc/60/23/18/916602318.db2.gz ZNTINFLGRYMTLR-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCNC(=O)C[NH+](C)C2CCC2)C1=O ZINC001480874316 916602329 /nfs/dbraw/zinc/60/23/29/916602329.db2.gz ZNTINFLGRYMTLR-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([NH+](C)CCNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001480874316 916602336 /nfs/dbraw/zinc/60/23/36/916602336.db2.gz ZNTINFLGRYMTLR-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([NH+](C)CCNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001480874316 916602342 /nfs/dbraw/zinc/60/23/42/916602342.db2.gz ZNTINFLGRYMTLR-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001480907800 916623386 /nfs/dbraw/zinc/62/33/86/916623386.db2.gz IJHQSFIFUZDMCZ-JTQLQIEISA-N 2 1 258.366 -0.879 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001480907800 916623397 /nfs/dbraw/zinc/62/33/97/916623397.db2.gz IJHQSFIFUZDMCZ-JTQLQIEISA-N 2 1 258.366 -0.879 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480946312 916651938 /nfs/dbraw/zinc/65/19/38/916651938.db2.gz MYEACVSTKWANBF-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480946312 916651947 /nfs/dbraw/zinc/65/19/47/916651947.db2.gz MYEACVSTKWANBF-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480946312 916651959 /nfs/dbraw/zinc/65/19/59/916651959.db2.gz MYEACVSTKWANBF-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480946312 916651969 /nfs/dbraw/zinc/65/19/69/916651969.db2.gz MYEACVSTKWANBF-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)CCN1CCNC1=O ZINC001480947374 916653651 /nfs/dbraw/zinc/65/36/51/916653651.db2.gz RKJHPHDVCZBIRY-UHFFFAOYSA-N 2 1 297.403 -0.845 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@H](C)C(N)=O ZINC001480983332 916669330 /nfs/dbraw/zinc/66/93/30/916669330.db2.gz XFFURKDREYXXTE-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@H](C)C(N)=O ZINC001480983332 916669341 /nfs/dbraw/zinc/66/93/41/916669341.db2.gz XFFURKDREYXXTE-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[C@H](C)C(N)=O ZINC001480983332 916669357 /nfs/dbraw/zinc/66/93/57/916669357.db2.gz XFFURKDREYXXTE-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)[C@H](C)C(N)=O ZINC001480983332 916669368 /nfs/dbraw/zinc/66/93/68/916669368.db2.gz XFFURKDREYXXTE-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H](C)C(N)=O ZINC001481132268 916726969 /nfs/dbraw/zinc/72/69/69/916726969.db2.gz JDRIPIDYHIZTKT-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C)C(N)=O ZINC001481132268 916726979 /nfs/dbraw/zinc/72/69/79/916726979.db2.gz JDRIPIDYHIZTKT-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@H](C)C(N)=O ZINC001481132268 916726988 /nfs/dbraw/zinc/72/69/88/916726988.db2.gz JDRIPIDYHIZTKT-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](CCO)C1CC1 ZINC001481199443 916747260 /nfs/dbraw/zinc/74/72/60/916747260.db2.gz FUDSQWRZPRHJBJ-UHFFFAOYSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](CCO)C1CC1 ZINC001481199443 916747268 /nfs/dbraw/zinc/74/72/68/916747268.db2.gz FUDSQWRZPRHJBJ-UHFFFAOYSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](CCO)C1CC1 ZINC001481199443 916747277 /nfs/dbraw/zinc/74/72/77/916747277.db2.gz FUDSQWRZPRHJBJ-UHFFFAOYSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001481228642 916776757 /nfs/dbraw/zinc/77/67/57/916776757.db2.gz HHJZCSQUAUERHW-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001481228646 916777226 /nfs/dbraw/zinc/77/72/26/916777226.db2.gz HHJZCSQUAUERHW-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2nnnn2C)CC[N@@H+]1C ZINC001481231597 916782449 /nfs/dbraw/zinc/78/24/49/916782449.db2.gz HZPXICIWUJNOFI-GHMZBOCLSA-N 2 1 295.391 -0.902 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2nnnn2C)CC[N@H+]1C ZINC001481231597 916782458 /nfs/dbraw/zinc/78/24/58/916782458.db2.gz HZPXICIWUJNOFI-GHMZBOCLSA-N 2 1 295.391 -0.902 20 0 CBADMP CN(CC[NH2+]CCO)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001481242700 916786495 /nfs/dbraw/zinc/78/64/95/916786495.db2.gz SVOSNMUDYASSLE-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CN(CC[NH2+]Cc1cnn(C)n1)C(=O)CCC[NH+](C)C ZINC001481272218 916798453 /nfs/dbraw/zinc/79/84/53/916798453.db2.gz DBNCDDMEERBXTJ-UHFFFAOYSA-N 2 1 282.392 -0.295 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](C[NH+](C)CC(N)=O)C2)C1 ZINC001481496473 916851474 /nfs/dbraw/zinc/85/14/74/916851474.db2.gz CWYTVZZTNCATJM-CHWSQXEVSA-N 2 1 296.415 -0.406 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC001481496473 916851480 /nfs/dbraw/zinc/85/14/80/916851480.db2.gz CWYTVZZTNCATJM-CHWSQXEVSA-N 2 1 296.415 -0.406 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC001481496473 916851487 /nfs/dbraw/zinc/85/14/87/916851487.db2.gz CWYTVZZTNCATJM-CHWSQXEVSA-N 2 1 296.415 -0.406 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C[NH+](C)CC(N)=O)C2)C1 ZINC001481496476 916852160 /nfs/dbraw/zinc/85/21/60/916852160.db2.gz CWYTVZZTNCATJM-STQMWFEESA-N 2 1 296.415 -0.406 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC001481496476 916852171 /nfs/dbraw/zinc/85/21/71/916852171.db2.gz CWYTVZZTNCATJM-STQMWFEESA-N 2 1 296.415 -0.406 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC001481496476 916852179 /nfs/dbraw/zinc/85/21/79/916852179.db2.gz CWYTVZZTNCATJM-STQMWFEESA-N 2 1 296.415 -0.406 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1C[NH+](C[C@H](C)O)C1 ZINC001481655710 916931487 /nfs/dbraw/zinc/93/14/87/916931487.db2.gz DOAVFVKOEQEALN-NSHDSACASA-N 2 1 257.378 -0.243 20 0 CBADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001481677624 916943370 /nfs/dbraw/zinc/94/33/70/916943370.db2.gz KJNAJQGJMOAYFZ-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCOCCO)C1 ZINC001481703572 916956612 /nfs/dbraw/zinc/95/66/12/916956612.db2.gz XMEIGJBVVJIOFT-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001481703572 916956618 /nfs/dbraw/zinc/95/66/18/916956618.db2.gz XMEIGJBVVJIOFT-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001481703572 916956626 /nfs/dbraw/zinc/95/66/26/916956626.db2.gz XMEIGJBVVJIOFT-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001481709045 916958125 /nfs/dbraw/zinc/95/81/25/916958125.db2.gz WMXWDCQCMIVEHF-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001481709045 916958137 /nfs/dbraw/zinc/95/81/37/916958137.db2.gz WMXWDCQCMIVEHF-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001481709045 916958149 /nfs/dbraw/zinc/95/81/49/916958149.db2.gz WMXWDCQCMIVEHF-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001481709045 916958159 /nfs/dbraw/zinc/95/81/59/916958159.db2.gz WMXWDCQCMIVEHF-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOCCO)C1 ZINC001481710081 916960579 /nfs/dbraw/zinc/96/05/79/916960579.db2.gz VZEKVCUOCJKYKA-CYBMUJFWSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001481710081 916960593 /nfs/dbraw/zinc/96/05/93/916960593.db2.gz VZEKVCUOCJKYKA-CYBMUJFWSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001481710081 916960602 /nfs/dbraw/zinc/96/06/02/916960602.db2.gz VZEKVCUOCJKYKA-CYBMUJFWSA-N 2 1 287.404 -0.474 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001481739603 916970568 /nfs/dbraw/zinc/97/05/68/916970568.db2.gz BLMKVGXBSGFEKE-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001481739603 916970576 /nfs/dbraw/zinc/97/05/76/916970576.db2.gz BLMKVGXBSGFEKE-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP CN(C(=O)COC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCO)C1 ZINC001481748539 916975982 /nfs/dbraw/zinc/97/59/82/916975982.db2.gz QNGCGDSVVOEFNW-ZDUSSCGKSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)[NH2+]CC(N)=O ZINC001481854957 917007860 /nfs/dbraw/zinc/00/78/60/917007860.db2.gz OCHQJMUZBYINSM-NSHDSACASA-N 2 1 295.387 -0.024 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001481875683 917012269 /nfs/dbraw/zinc/01/22/69/917012269.db2.gz PBZYHYAAELGYIL-CHWSQXEVSA-N 2 1 294.403 -0.286 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)CC ZINC001481874164 917013068 /nfs/dbraw/zinc/01/30/68/917013068.db2.gz FFLBWMOIZVXXJY-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001482168811 917072561 /nfs/dbraw/zinc/07/25/61/917072561.db2.gz QMKFSOQONGHQCM-VIFPVBQESA-N 2 1 267.333 -0.981 20 0 CBADMP COC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482198926 917084477 /nfs/dbraw/zinc/08/44/77/917084477.db2.gz OHWDKCGWWJVWAS-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP COC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482198926 917084491 /nfs/dbraw/zinc/08/44/91/917084491.db2.gz OHWDKCGWWJVWAS-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001482341920 917131312 /nfs/dbraw/zinc/13/13/12/917131312.db2.gz HNJMZKVDVVZSKX-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482642635 917192397 /nfs/dbraw/zinc/19/23/97/917192397.db2.gz NXTVLDDNWQYBQO-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482642635 917192408 /nfs/dbraw/zinc/19/24/08/917192408.db2.gz NXTVLDDNWQYBQO-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001482651685 917193943 /nfs/dbraw/zinc/19/39/43/917193943.db2.gz ISWOYEGUIWGHRE-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001482651685 917193953 /nfs/dbraw/zinc/19/39/53/917193953.db2.gz ISWOYEGUIWGHRE-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001482651685 917193962 /nfs/dbraw/zinc/19/39/62/917193962.db2.gz ISWOYEGUIWGHRE-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001482651685 917193970 /nfs/dbraw/zinc/19/39/70/917193970.db2.gz ISWOYEGUIWGHRE-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001482649229 917196008 /nfs/dbraw/zinc/19/60/08/917196008.db2.gz IZCVKTRIDPNHOZ-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001482649229 917196020 /nfs/dbraw/zinc/19/60/20/917196020.db2.gz IZCVKTRIDPNHOZ-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482649229 917196031 /nfs/dbraw/zinc/19/60/31/917196031.db2.gz IZCVKTRIDPNHOZ-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482649229 917196037 /nfs/dbraw/zinc/19/60/37/917196037.db2.gz IZCVKTRIDPNHOZ-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CC(N)=O)C1 ZINC001482667641 917200854 /nfs/dbraw/zinc/20/08/54/917200854.db2.gz TWVCOVXSZFDQHD-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(N)=O)C1 ZINC001482667641 917200866 /nfs/dbraw/zinc/20/08/66/917200866.db2.gz TWVCOVXSZFDQHD-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(N)=O)C1 ZINC001482667641 917200879 /nfs/dbraw/zinc/20/08/79/917200879.db2.gz TWVCOVXSZFDQHD-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CC(N)=O)C1 ZINC001482667639 917201472 /nfs/dbraw/zinc/20/14/72/917201472.db2.gz TWVCOVXSZFDQHD-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(N)=O)C1 ZINC001482667639 917201491 /nfs/dbraw/zinc/20/14/91/917201491.db2.gz TWVCOVXSZFDQHD-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(N)=O)C1 ZINC001482667639 917201507 /nfs/dbraw/zinc/20/15/07/917201507.db2.gz TWVCOVXSZFDQHD-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]C(C)C ZINC001482752383 917252128 /nfs/dbraw/zinc/25/21/28/917252128.db2.gz ZYHKBYFCKUTWGQ-LLVKDONJSA-N 2 1 254.334 -0.333 20 0 CBADMP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482832303 917308979 /nfs/dbraw/zinc/30/89/79/917308979.db2.gz FNPHWWKDIQIUCX-QJPTWQEYSA-N 2 1 284.404 -0.443 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(N)=O ZINC001482901026 917329134 /nfs/dbraw/zinc/32/91/34/917329134.db2.gz IKIJTILJHAKHSS-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCCO ZINC001482990705 917360648 /nfs/dbraw/zinc/36/06/48/917360648.db2.gz GQYWSHZKWKTVDK-QAVQXKDTSA-N 2 1 255.362 -0.275 20 0 CBADMP COCC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482992124 917363158 /nfs/dbraw/zinc/36/31/58/917363158.db2.gz GEBWVKDARIVLPK-AAOUONPWSA-N 2 1 271.361 -0.775 20 0 CBADMP COCC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482992124 917363176 /nfs/dbraw/zinc/36/31/76/917363176.db2.gz GEBWVKDARIVLPK-AAOUONPWSA-N 2 1 271.361 -0.775 20 0 CBADMP CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001483044821 917385208 /nfs/dbraw/zinc/38/52/08/917385208.db2.gz RZTFBFGPMARSHC-ZYOFXKKJSA-N 2 1 282.388 -0.521 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001483098930 917408074 /nfs/dbraw/zinc/40/80/74/917408074.db2.gz UQRNBYAXMLYCFL-RXNFCKPNSA-N 2 1 282.388 -0.392 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001483098931 917409003 /nfs/dbraw/zinc/40/90/03/917409003.db2.gz UQRNBYAXMLYCFL-ZYOFXKKJSA-N 2 1 282.388 -0.392 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483184330 917457443 /nfs/dbraw/zinc/45/74/43/917457443.db2.gz LOLULSZNYWLWLS-MNOVXSKESA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483184330 917457456 /nfs/dbraw/zinc/45/74/56/917457456.db2.gz LOLULSZNYWLWLS-MNOVXSKESA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](C[NH2+]CCOCC1CC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483216588 917473916 /nfs/dbraw/zinc/47/39/16/917473916.db2.gz CJGJVGAUIHGTOK-GXTWGEPZSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H](C[NH2+]CCOCC1CC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483216588 917473925 /nfs/dbraw/zinc/47/39/25/917473925.db2.gz CJGJVGAUIHGTOK-GXTWGEPZSA-N 2 1 299.415 -0.162 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC ZINC001483232488 917488527 /nfs/dbraw/zinc/48/85/27/917488527.db2.gz DTHDQNMGRBZSII-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@H]1CCN(C)C1=O ZINC001483405589 917557578 /nfs/dbraw/zinc/55/75/78/917557578.db2.gz ZAWPPPQTAAEKQN-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC001483405589 917557588 /nfs/dbraw/zinc/55/75/88/917557588.db2.gz ZAWPPPQTAAEKQN-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001483405589 917557599 /nfs/dbraw/zinc/55/75/99/917557599.db2.gz ZAWPPPQTAAEKQN-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483407039 917558030 /nfs/dbraw/zinc/55/80/30/917558030.db2.gz LBBYMJHMUDWXPF-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483407039 917558041 /nfs/dbraw/zinc/55/80/41/917558041.db2.gz LBBYMJHMUDWXPF-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001483420950 917558251 /nfs/dbraw/zinc/55/82/51/917558251.db2.gz MZRDPWDCEOZCRQ-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H]1CCN(C)C1=O ZINC001483420950 917558264 /nfs/dbraw/zinc/55/82/64/917558264.db2.gz MZRDPWDCEOZCRQ-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H]1CCN(C)C1=O ZINC001483420950 917558276 /nfs/dbraw/zinc/55/82/76/917558276.db2.gz MZRDPWDCEOZCRQ-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CCCO)CC2)C1 ZINC001483768003 917675592 /nfs/dbraw/zinc/67/55/92/917675592.db2.gz UHVORUARKZKFFU-GFCCVEGCSA-N 2 1 269.389 -0.051 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001483945492 917712624 /nfs/dbraw/zinc/71/26/24/917712624.db2.gz ZCOMOKKIYVUKHC-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@@H+](CCOCCO)C1 ZINC001484070711 917733630 /nfs/dbraw/zinc/73/36/30/917733630.db2.gz IJAWJFDIKVEPCE-OAHLLOKOSA-N 2 1 299.415 -0.328 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCO)C2)C1 ZINC001484124626 917743061 /nfs/dbraw/zinc/74/30/61/917743061.db2.gz IVLCESOCQOCQGS-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCO)C2)C1 ZINC001484124626 917743076 /nfs/dbraw/zinc/74/30/76/917743076.db2.gz IVLCESOCQOCQGS-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001484235001 917780021 /nfs/dbraw/zinc/78/00/21/917780021.db2.gz ZDMQJLSMBKTBRK-CYBMUJFWSA-N 2 1 275.368 -0.149 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001484235001 917780030 /nfs/dbraw/zinc/78/00/30/917780030.db2.gz ZDMQJLSMBKTBRK-CYBMUJFWSA-N 2 1 275.368 -0.149 20 0 CBADMP CC(C)[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484252628 917791300 /nfs/dbraw/zinc/79/13/00/917791300.db2.gz VZWGYNABIOSQLZ-GXTWGEPZSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484252628 917791315 /nfs/dbraw/zinc/79/13/15/917791315.db2.gz VZWGYNABIOSQLZ-GXTWGEPZSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484252628 917791331 /nfs/dbraw/zinc/79/13/31/917791331.db2.gz VZWGYNABIOSQLZ-GXTWGEPZSA-N 2 1 269.389 -0.101 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001484251485 917792147 /nfs/dbraw/zinc/79/21/47/917792147.db2.gz OWGMZGWDYWEXTK-RISCZKNCSA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001484251485 917792160 /nfs/dbraw/zinc/79/21/60/917792160.db2.gz OWGMZGWDYWEXTK-RISCZKNCSA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001484251486 917793075 /nfs/dbraw/zinc/79/30/75/917793075.db2.gz OWGMZGWDYWEXTK-SMDDNHRTSA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001484251486 917793089 /nfs/dbraw/zinc/79/30/89/917793089.db2.gz OWGMZGWDYWEXTK-SMDDNHRTSA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001484372076 917835514 /nfs/dbraw/zinc/83/55/14/917835514.db2.gz QSINHMOGYRVBHZ-PWSUYJOCSA-N 2 1 293.371 -0.639 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001484372074 917836683 /nfs/dbraw/zinc/83/66/83/917836683.db2.gz QSINHMOGYRVBHZ-JQWIXIFHSA-N 2 1 293.371 -0.639 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001484411696 917840755 /nfs/dbraw/zinc/84/07/55/917840755.db2.gz CYDMEVPXMRLAGR-RWMBFGLXSA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001484443405 917855672 /nfs/dbraw/zinc/85/56/72/917855672.db2.gz GTGNLSUNBKLVSY-UKRRQHHQSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001484443405 917855682 /nfs/dbraw/zinc/85/56/82/917855682.db2.gz GTGNLSUNBKLVSY-UKRRQHHQSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001484443405 917855702 /nfs/dbraw/zinc/85/57/02/917855702.db2.gz GTGNLSUNBKLVSY-UKRRQHHQSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001484443403 917857662 /nfs/dbraw/zinc/85/76/62/917857662.db2.gz GTGNLSUNBKLVSY-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001484443403 917857674 /nfs/dbraw/zinc/85/76/74/917857674.db2.gz GTGNLSUNBKLVSY-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001484443403 917857690 /nfs/dbraw/zinc/85/76/90/917857690.db2.gz GTGNLSUNBKLVSY-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N(CCO)CC[NH2+]CCO ZINC001484495981 917878466 /nfs/dbraw/zinc/87/84/66/917878466.db2.gz IRZXWQDVKVGOSC-UONOGXRCSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCO)C2)C1 ZINC001484514532 917881994 /nfs/dbraw/zinc/88/19/94/917881994.db2.gz LLAZOOMDALYBAI-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCO)C2)C1 ZINC001484514532 917882009 /nfs/dbraw/zinc/88/20/09/917882009.db2.gz LLAZOOMDALYBAI-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC1CC(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001485109733 917998065 /nfs/dbraw/zinc/99/80/65/917998065.db2.gz GATFCBVBIJNGAR-GCVQQVDUSA-N 2 1 293.371 -0.450 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(N)=O ZINC001485200228 918023279 /nfs/dbraw/zinc/02/32/79/918023279.db2.gz RQSBGLGXOPONRA-MNOVXSKESA-N 2 1 295.387 -0.060 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001485345897 918085283 /nfs/dbraw/zinc/08/52/83/918085283.db2.gz QELDKOMWWPJDOJ-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001485345897 918085295 /nfs/dbraw/zinc/08/52/95/918085295.db2.gz QELDKOMWWPJDOJ-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCCC[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485471139 918126291 /nfs/dbraw/zinc/12/62/91/918126291.db2.gz CZGSUEWIELLTHY-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485556669 918144657 /nfs/dbraw/zinc/14/46/57/918144657.db2.gz WFRDEZNGNHJDAI-DZGCQCFKSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485556669 918144664 /nfs/dbraw/zinc/14/46/64/918144664.db2.gz WFRDEZNGNHJDAI-DZGCQCFKSA-N 2 1 299.415 -0.378 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001485624324 918157196 /nfs/dbraw/zinc/15/71/96/918157196.db2.gz SAFRNARVEVSXNI-XYYAHUGASA-N 2 1 296.415 -0.502 20 0 CBADMP CCC[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001485624324 918157206 /nfs/dbraw/zinc/15/72/06/918157206.db2.gz SAFRNARVEVSXNI-XYYAHUGASA-N 2 1 296.415 -0.502 20 0 CBADMP CCC[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001485624324 918157215 /nfs/dbraw/zinc/15/72/15/918157215.db2.gz SAFRNARVEVSXNI-XYYAHUGASA-N 2 1 296.415 -0.502 20 0 CBADMP CC[N@H+](C)CCOCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001485775288 918184713 /nfs/dbraw/zinc/18/47/13/918184713.db2.gz CSMDEZYGOOXWDN-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[N@@H+](C)CCOCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001485775288 918184718 /nfs/dbraw/zinc/18/47/18/918184718.db2.gz CSMDEZYGOOXWDN-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+](C)CCOCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001485775288 918184729 /nfs/dbraw/zinc/18/47/29/918184729.db2.gz CSMDEZYGOOXWDN-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+](C)CCOCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001485775288 918184737 /nfs/dbraw/zinc/18/47/37/918184737.db2.gz CSMDEZYGOOXWDN-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001485855636 918205943 /nfs/dbraw/zinc/20/59/43/918205943.db2.gz MELPWHRHMMQFDO-AAEUAGOBSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001485855636 918205959 /nfs/dbraw/zinc/20/59/59/918205959.db2.gz MELPWHRHMMQFDO-AAEUAGOBSA-N 2 1 294.403 -0.154 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001485856923 918214507 /nfs/dbraw/zinc/21/45/07/918214507.db2.gz WAPVMJZQGKZGFW-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001485940978 918234187 /nfs/dbraw/zinc/23/41/87/918234187.db2.gz MDIWOVRGEPDREQ-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnon1 ZINC001485955739 918238547 /nfs/dbraw/zinc/23/85/47/918238547.db2.gz QDVRKJSJJRTXFZ-GHMZBOCLSA-N 2 1 281.360 -0.042 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnon1 ZINC001485955739 918238560 /nfs/dbraw/zinc/23/85/60/918238560.db2.gz QDVRKJSJJRTXFZ-GHMZBOCLSA-N 2 1 281.360 -0.042 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnon1 ZINC001485955741 918241017 /nfs/dbraw/zinc/24/10/17/918241017.db2.gz QDVRKJSJJRTXFZ-QWRGUYRKSA-N 2 1 281.360 -0.042 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnon1 ZINC001485955741 918241026 /nfs/dbraw/zinc/24/10/26/918241026.db2.gz QDVRKJSJJRTXFZ-QWRGUYRKSA-N 2 1 281.360 -0.042 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001485954938 918241135 /nfs/dbraw/zinc/24/11/35/918241135.db2.gz BIHIHTOILRBCPT-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC ZINC001486002008 918295064 /nfs/dbraw/zinc/29/50/64/918295064.db2.gz LMJGQRNOHFBCFI-NEPJUHHUSA-N 2 1 257.378 -0.053 20 0 CBADMP CC(C)=CC[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001486045587 918339663 /nfs/dbraw/zinc/33/96/63/918339663.db2.gz WJJDUZGJASSOSJ-AWEZNQCLSA-N 2 1 299.415 -0.258 20 0 CBADMP CN(C[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001488652689 918748796 /nfs/dbraw/zinc/74/87/96/918748796.db2.gz GTECKNIWQXSZTA-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C[C@H]1CC[N@H+]1[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001488652689 918748803 /nfs/dbraw/zinc/74/88/03/918748803.db2.gz GTECKNIWQXSZTA-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001488803452 918768651 /nfs/dbraw/zinc/76/86/51/918768651.db2.gz FRUKKKRCINVGMT-UPJWGTAASA-N 2 1 298.431 -0.055 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001488794765 918769892 /nfs/dbraw/zinc/76/98/92/918769892.db2.gz VRCABLAWNXJLEG-UTUOFQBUSA-N 2 1 282.388 -0.832 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001488793449 918770067 /nfs/dbraw/zinc/77/00/67/918770067.db2.gz XNLUCVPOWUWNEY-BETUJISGSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1CC(N)=O ZINC001489147393 918788668 /nfs/dbraw/zinc/78/86/68/918788668.db2.gz LKUTZXUBMFPZRE-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@H+]1CC(N)=O ZINC001489147393 918788683 /nfs/dbraw/zinc/78/86/83/918788683.db2.gz LKUTZXUBMFPZRE-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[NH+]1CC(N)=O ZINC001489147393 918788694 /nfs/dbraw/zinc/78/86/94/918788694.db2.gz LKUTZXUBMFPZRE-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[NH+]1CC(N)=O ZINC001489147393 918788711 /nfs/dbraw/zinc/78/87/11/918788711.db2.gz LKUTZXUBMFPZRE-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001490234545 918867255 /nfs/dbraw/zinc/86/72/55/918867255.db2.gz ZGTCIKNXGOPMAA-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001490234545 918867262 /nfs/dbraw/zinc/86/72/62/918867262.db2.gz ZGTCIKNXGOPMAA-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490234545 918867244 /nfs/dbraw/zinc/86/72/44/918867244.db2.gz ZGTCIKNXGOPMAA-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CC(=O)NC ZINC001490355799 918894718 /nfs/dbraw/zinc/89/47/18/918894718.db2.gz RLMVITAWJQLEIM-UHFFFAOYSA-N 2 1 296.415 -0.344 20 0 CBADMP CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC ZINC001490358247 918900039 /nfs/dbraw/zinc/90/00/39/918900039.db2.gz WXCWTSSOKDJBHL-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)NC ZINC001490358247 918900051 /nfs/dbraw/zinc/90/00/51/918900051.db2.gz WXCWTSSOKDJBHL-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC ZINC001490358247 918900064 /nfs/dbraw/zinc/90/00/64/918900064.db2.gz WXCWTSSOKDJBHL-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001490513974 918924819 /nfs/dbraw/zinc/92/48/19/918924819.db2.gz AWQFYKGPSLZUSA-ZIAGYGMSSA-N 2 1 298.431 -0.947 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001491080526 919024812 /nfs/dbraw/zinc/02/48/12/919024812.db2.gz PARCWYNRQKGDDR-GARJFASQSA-N 2 1 270.377 -0.563 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1)C(N)=O ZINC001491080501 919026251 /nfs/dbraw/zinc/02/62/51/919026251.db2.gz OQFQEEWSOKGNKD-TUAOUCFPSA-N 2 1 284.404 -0.173 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001491080528 919026476 /nfs/dbraw/zinc/02/64/76/919026476.db2.gz PARCWYNRQKGDDR-MXWKQRLJSA-N 2 1 270.377 -0.563 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001491130991 919046273 /nfs/dbraw/zinc/04/62/73/919046273.db2.gz SMDMYHRXHAYOFW-ZDUSSCGKSA-N 2 1 269.389 -0.097 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001491186338 919071982 /nfs/dbraw/zinc/07/19/82/919071982.db2.gz MUHIONRHKLWGMC-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCNC(=O)C1CC1 ZINC001491415866 919150857 /nfs/dbraw/zinc/15/08/57/919150857.db2.gz UWNZWCNDDJURHM-DGCLKSJQSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCO ZINC001491455452 919169336 /nfs/dbraw/zinc/16/93/36/919169336.db2.gz RFMWAFYJIMSUIB-NWDGAFQWSA-N 2 1 257.378 -0.054 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+][C@H]1CCCNC1=O ZINC001491530360 919196909 /nfs/dbraw/zinc/19/69/09/919196909.db2.gz VUMJIJCLUGIONV-PWSUYJOCSA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001491580611 919216453 /nfs/dbraw/zinc/21/64/53/919216453.db2.gz VNMRHWPWHHGBLT-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001491580611 919216470 /nfs/dbraw/zinc/21/64/70/919216470.db2.gz VNMRHWPWHHGBLT-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001491671653 919248872 /nfs/dbraw/zinc/24/88/72/919248872.db2.gz BMZHEBQQDDTNPF-WDEREUQCSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001491672799 919250274 /nfs/dbraw/zinc/25/02/74/919250274.db2.gz JCKDACJDAOHRQJ-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)C[NH+]1CCCC1 ZINC001491710699 919259864 /nfs/dbraw/zinc/25/98/64/919259864.db2.gz CDPVAPLQPKSPTE-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001491773564 919272124 /nfs/dbraw/zinc/27/21/24/919272124.db2.gz VUWVGZVJFCABPF-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001491773564 919272139 /nfs/dbraw/zinc/27/21/39/919272139.db2.gz VUWVGZVJFCABPF-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001491965031 919304273 /nfs/dbraw/zinc/30/42/73/919304273.db2.gz FHPMJFHJKMLHNU-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001491965031 919304282 /nfs/dbraw/zinc/30/42/82/919304282.db2.gz FHPMJFHJKMLHNU-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001491965031 919304285 /nfs/dbraw/zinc/30/42/85/919304285.db2.gz FHPMJFHJKMLHNU-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001491965031 919304299 /nfs/dbraw/zinc/30/42/99/919304299.db2.gz FHPMJFHJKMLHNU-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP Cn1cc(C[N@H+](C)CCNC(=O)[C@H]2CN(C)CCO2)cn1 ZINC001492221308 919358172 /nfs/dbraw/zinc/35/81/72/919358172.db2.gz SVUZCIAHCPVPKN-CYBMUJFWSA-N 2 1 295.387 -0.701 20 0 CBADMP Cn1cc(C[N@@H+](C)CCNC(=O)[C@H]2CN(C)CCO2)cn1 ZINC001492221308 919358189 /nfs/dbraw/zinc/35/81/89/919358189.db2.gz SVUZCIAHCPVPKN-CYBMUJFWSA-N 2 1 295.387 -0.701 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)[C@@H]2CCCNC2=O)C1 ZINC001492422983 919411963 /nfs/dbraw/zinc/41/19/63/919411963.db2.gz KODRYINYOYNGAS-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)[C@@H]2CCCNC2=O)C1 ZINC001492422983 919411968 /nfs/dbraw/zinc/41/19/68/919411968.db2.gz KODRYINYOYNGAS-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001492422983 919411976 /nfs/dbraw/zinc/41/19/76/919411976.db2.gz KODRYINYOYNGAS-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001492422983 919411982 /nfs/dbraw/zinc/41/19/82/919411982.db2.gz KODRYINYOYNGAS-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP Cn1nncc1C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001493131095 919483667 /nfs/dbraw/zinc/48/36/67/919483667.db2.gz HVEMAOARLFVQCU-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP Cn1nncc1C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001493131095 919483675 /nfs/dbraw/zinc/48/36/75/919483675.db2.gz HVEMAOARLFVQCU-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1CC(N)=O ZINC001493151160 919483769 /nfs/dbraw/zinc/48/37/69/919483769.db2.gz ZKBAGLNCQRQUTD-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001493151160 919483778 /nfs/dbraw/zinc/48/37/78/919483778.db2.gz ZKBAGLNCQRQUTD-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001493151160 919483790 /nfs/dbraw/zinc/48/37/90/919483790.db2.gz ZKBAGLNCQRQUTD-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001493151160 919483797 /nfs/dbraw/zinc/48/37/97/919483797.db2.gz ZKBAGLNCQRQUTD-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001493151160 919483808 /nfs/dbraw/zinc/48/38/08/919483808.db2.gz ZKBAGLNCQRQUTD-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001493133494 919485413 /nfs/dbraw/zinc/48/54/13/919485413.db2.gz RXNWOAKFIGAHET-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493232147 919507533 /nfs/dbraw/zinc/50/75/33/919507533.db2.gz BYBWDQVMFFTHTB-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP C[C@H](C(N)=O)[N@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001493378078 919533796 /nfs/dbraw/zinc/53/37/96/919533796.db2.gz UHJVVKPSTODYDR-LLVKDONJSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001493378078 919533809 /nfs/dbraw/zinc/53/38/09/919533809.db2.gz UHJVVKPSTODYDR-LLVKDONJSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001493378078 919533813 /nfs/dbraw/zinc/53/38/13/919533813.db2.gz UHJVVKPSTODYDR-LLVKDONJSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001493378078 919533816 /nfs/dbraw/zinc/53/38/16/919533816.db2.gz UHJVVKPSTODYDR-LLVKDONJSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001493550839 919576669 /nfs/dbraw/zinc/57/66/69/919576669.db2.gz JZOIVJFYAODDNQ-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(=O)N(C)C ZINC001493600753 919588599 /nfs/dbraw/zinc/58/85/99/919588599.db2.gz RHTYUXHCMGUGJZ-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)CCC[NH+](C)C)c1nnnn1C ZINC001493674889 919601754 /nfs/dbraw/zinc/60/17/54/919601754.db2.gz GTNSIEVAGBNVQC-NSHDSACASA-N 2 1 297.407 -0.339 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001493700787 919607281 /nfs/dbraw/zinc/60/72/81/919607281.db2.gz XVKVCYCYOVHRBT-NSHDSACASA-N 2 1 282.392 -0.297 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001493924490 919635073 /nfs/dbraw/zinc/63/50/73/919635073.db2.gz ZKLNIMSLGJVSTB-FRRDWIJNSA-N 2 1 294.399 -0.498 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCOCCO)C1 ZINC001494585582 919746709 /nfs/dbraw/zinc/74/67/09/919746709.db2.gz SXBFOOXAOFUYKN-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001494773340 919787971 /nfs/dbraw/zinc/78/79/71/919787971.db2.gz PUMNDZKOPGAEIM-XQQFMLRXSA-N 2 1 298.431 -0.006 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001494773340 919787983 /nfs/dbraw/zinc/78/79/83/919787983.db2.gz PUMNDZKOPGAEIM-XQQFMLRXSA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001494842554 919804309 /nfs/dbraw/zinc/80/43/09/919804309.db2.gz RCDGWJMBDVBNIM-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001494842554 919804316 /nfs/dbraw/zinc/80/43/16/919804316.db2.gz RCDGWJMBDVBNIM-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001494848950 919804422 /nfs/dbraw/zinc/80/44/22/919804422.db2.gz UIUBSAXPZDOCAC-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001494846999 919806219 /nfs/dbraw/zinc/80/62/19/919806219.db2.gz LFNCAAAPIUSRCJ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001494846999 919806235 /nfs/dbraw/zinc/80/62/35/919806235.db2.gz LFNCAAAPIUSRCJ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001495106986 919864032 /nfs/dbraw/zinc/86/40/32/919864032.db2.gz JKCQABIWGSYFIW-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)[NH2+]CCOC ZINC001495109378 919864230 /nfs/dbraw/zinc/86/42/30/919864230.db2.gz VKGVYENTJFRHPB-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)[NH2+]CCOC ZINC001495109378 919864238 /nfs/dbraw/zinc/86/42/38/919864238.db2.gz VKGVYENTJFRHPB-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC ZINC001495106050 919864883 /nfs/dbraw/zinc/86/48/83/919864883.db2.gz DXZGXGBIGYEOCL-MNOVXSKESA-N 2 1 270.377 -0.832 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001495301404 919882320 /nfs/dbraw/zinc/88/23/20/919882320.db2.gz UHCSOQFEANHTKC-QMTHXVAHSA-N 2 1 282.388 -0.702 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+][C@H]1CCNC1=O ZINC001495682557 919926784 /nfs/dbraw/zinc/92/67/84/919926784.db2.gz FKEFLWBPMMYACQ-YPMHNXCESA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+][C@@H]1CCNC1=O ZINC001495682553 919928659 /nfs/dbraw/zinc/92/86/59/919928659.db2.gz FKEFLWBPMMYACQ-DGCLKSJQSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001495813577 919953707 /nfs/dbraw/zinc/95/37/07/919953707.db2.gz NLVZTAABGNWHCW-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001495901277 919981303 /nfs/dbraw/zinc/98/13/03/919981303.db2.gz LZMVSWDAHDWKJQ-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP CN(CC[N@@H+](C)CCn1cncn1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001496835003 920136904 /nfs/dbraw/zinc/13/69/04/920136904.db2.gz CPNWENAGXKFGIU-CYBMUJFWSA-N 2 1 294.403 -0.380 20 0 CBADMP CN(CC[NH+](C)CCn1cncn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496835003 920136909 /nfs/dbraw/zinc/13/69/09/920136909.db2.gz CPNWENAGXKFGIU-CYBMUJFWSA-N 2 1 294.403 -0.380 20 0 CBADMP CN(CC[NH+](C)CCn1cncn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496835003 920136918 /nfs/dbraw/zinc/13/69/18/920136918.db2.gz CPNWENAGXKFGIU-CYBMUJFWSA-N 2 1 294.403 -0.380 20 0 CBADMP CC(C)[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001496997327 920197763 /nfs/dbraw/zinc/19/77/63/920197763.db2.gz TYUULLLPHQULEK-LBPRGKRZSA-N 2 1 257.378 -0.054 20 0 CBADMP COCC[NH2+]C[C@H](O)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001497100265 920249237 /nfs/dbraw/zinc/24/92/37/920249237.db2.gz YWCLHXNVSFZNNL-JSGCOSHPSA-N 2 1 285.388 -0.815 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC2CC2)C1 ZINC001497113226 920254638 /nfs/dbraw/zinc/25/46/38/920254638.db2.gz IEZLIQPHDAEBPR-VXGBXAGGSA-N 2 1 255.362 -0.585 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001497229789 920274146 /nfs/dbraw/zinc/27/41/46/920274146.db2.gz FHIZDPHLZQGASW-ZYHUDNBSSA-N 2 1 293.371 -0.436 20 0 CBADMP CCN(CC[NH2+][C@@H](C)COC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001497368294 920295927 /nfs/dbraw/zinc/29/59/27/920295927.db2.gz XKCFBZILOVUWCI-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CCN(CC[NH2+][C@@H](C)COC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001497368294 920295941 /nfs/dbraw/zinc/29/59/41/920295941.db2.gz XKCFBZILOVUWCI-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CCN(CC[NH2+]CCn1cncn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497495286 920311091 /nfs/dbraw/zinc/31/10/91/920311091.db2.gz CHYAAHJQTQLSGD-CYBMUJFWSA-N 2 1 294.403 -0.332 20 0 CBADMP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)CC[N@@H+](C)CC ZINC001497478119 920312326 /nfs/dbraw/zinc/31/23/26/920312326.db2.gz RRZVMVDZHHMAFY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497587007 920348292 /nfs/dbraw/zinc/34/82/92/920348292.db2.gz ZQVWYRUBUKHWRN-GDNMSKEOSA-N 2 1 269.389 -0.031 20 0 CBADMP C[C@@H](O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497587006 920351053 /nfs/dbraw/zinc/35/10/53/920351053.db2.gz ZQVWYRUBUKHWRN-CRVKJFQUSA-N 2 1 269.389 -0.031 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001497909881 920422753 /nfs/dbraw/zinc/42/27/53/920422753.db2.gz DZHRAOPEOOCYBV-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H]([NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001498053443 920463035 /nfs/dbraw/zinc/46/30/35/920463035.db2.gz NIJXKWLKXJYYIJ-CMPLNLGQSA-N 2 1 284.404 -0.171 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1cnnn1C ZINC001498073205 920467567 /nfs/dbraw/zinc/46/75/67/920467567.db2.gz ZKNMZFGQRRUDRF-JTQLQIEISA-N 2 1 291.359 -0.385 20 0 CBADMP C[C@@H](C[NH2+]CCCO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001498090435 920474024 /nfs/dbraw/zinc/47/40/24/920474024.db2.gz HCFSDEHOSKXXDV-RYUDHWBXSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)c1nnnn1C ZINC001498104587 920481881 /nfs/dbraw/zinc/48/18/81/920481881.db2.gz FZGOOAQYMSIMIB-VHSXEESVSA-N 2 1 283.380 -0.683 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001498167784 920506069 /nfs/dbraw/zinc/50/60/69/920506069.db2.gz JAMILWQRMYGURO-JTQLQIEISA-N 2 1 283.380 -0.854 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001498167784 920506088 /nfs/dbraw/zinc/50/60/88/920506088.db2.gz JAMILWQRMYGURO-JTQLQIEISA-N 2 1 283.380 -0.854 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnnn1C ZINC001498168488 920509343 /nfs/dbraw/zinc/50/93/43/920509343.db2.gz LQQNGDYHVUZXTM-QWRGUYRKSA-N 2 1 297.407 -0.293 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnnn1C ZINC001498168488 920509351 /nfs/dbraw/zinc/50/93/51/920509351.db2.gz LQQNGDYHVUZXTM-QWRGUYRKSA-N 2 1 297.407 -0.293 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]CCCOC)C1 ZINC001498197976 920517380 /nfs/dbraw/zinc/51/73/80/920517380.db2.gz MTTADYCVWPTQNV-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]CCCOC)C1 ZINC001498197976 920517386 /nfs/dbraw/zinc/51/73/86/920517386.db2.gz MTTADYCVWPTQNV-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001498365493 920567177 /nfs/dbraw/zinc/56/71/77/920567177.db2.gz CEYKPASMGBXZOC-SRVKXCTJSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001498365493 920567187 /nfs/dbraw/zinc/56/71/87/920567187.db2.gz CEYKPASMGBXZOC-SRVKXCTJSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001498365493 920567195 /nfs/dbraw/zinc/56/71/95/920567195.db2.gz CEYKPASMGBXZOC-SRVKXCTJSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001498365493 920567203 /nfs/dbraw/zinc/56/72/03/920567203.db2.gz CEYKPASMGBXZOC-SRVKXCTJSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001498449912 920590345 /nfs/dbraw/zinc/59/03/45/920590345.db2.gz IWYXMAMHXLKUAR-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001498449912 920590352 /nfs/dbraw/zinc/59/03/52/920590352.db2.gz IWYXMAMHXLKUAR-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001498449912 920590365 /nfs/dbraw/zinc/59/03/65/920590365.db2.gz IWYXMAMHXLKUAR-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001498449912 920590375 /nfs/dbraw/zinc/59/03/75/920590375.db2.gz IWYXMAMHXLKUAR-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001498744449 920630794 /nfs/dbraw/zinc/63/07/94/920630794.db2.gz DOHRZJAYXVFAAN-RYUDHWBXSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001498744449 920630803 /nfs/dbraw/zinc/63/08/03/920630803.db2.gz DOHRZJAYXVFAAN-RYUDHWBXSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001498744445 920632624 /nfs/dbraw/zinc/63/26/24/920632624.db2.gz DOHRZJAYXVFAAN-NEPJUHHUSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001498744445 920632634 /nfs/dbraw/zinc/63/26/34/920632634.db2.gz DOHRZJAYXVFAAN-NEPJUHHUSA-N 2 1 255.362 -0.179 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001499266801 920728981 /nfs/dbraw/zinc/72/89/81/920728981.db2.gz NRLKAUZACUHJGG-NWDGAFQWSA-N 2 1 294.399 -0.402 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@H](C)COC)CC2)C1 ZINC001499454973 920747859 /nfs/dbraw/zinc/74/78/59/920747859.db2.gz CCHCRTDTDZWBDT-CHWSQXEVSA-N 2 1 299.415 -0.020 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@H](C)COC)CC2)C1 ZINC001499454973 920747871 /nfs/dbraw/zinc/74/78/71/920747871.db2.gz CCHCRTDTDZWBDT-CHWSQXEVSA-N 2 1 299.415 -0.020 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001500148179 920805857 /nfs/dbraw/zinc/80/58/57/920805857.db2.gz ZRLYHDXSBNBWHR-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001500148179 920805866 /nfs/dbraw/zinc/80/58/66/920805866.db2.gz ZRLYHDXSBNBWHR-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@H+]1CC[C@@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001500743278 920874339 /nfs/dbraw/zinc/87/43/39/920874339.db2.gz KKYFBMPYEZLICY-OAHLLOKOSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](CCCO)C1 ZINC001500746479 920875229 /nfs/dbraw/zinc/87/52/29/920875229.db2.gz HQWJALBBRCEZKZ-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001500746479 920875243 /nfs/dbraw/zinc/87/52/43/920875243.db2.gz HQWJALBBRCEZKZ-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001500746479 920875258 /nfs/dbraw/zinc/87/52/58/920875258.db2.gz HQWJALBBRCEZKZ-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP C[NH+](C)CCC(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001500915107 920917716 /nfs/dbraw/zinc/91/77/16/920917716.db2.gz PXLPJRYOYWYEQL-GFCCVEGCSA-N 2 1 285.388 -0.863 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001501083424 920947032 /nfs/dbraw/zinc/94/70/32/920947032.db2.gz IDFVBRGOOSHXHI-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001501083425 920947216 /nfs/dbraw/zinc/94/72/16/920947216.db2.gz IDFVBRGOOSHXHI-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001501242308 920955897 /nfs/dbraw/zinc/95/58/97/920955897.db2.gz CPTHJEGBRJNEKC-BETUJISGSA-N 2 1 269.389 -0.291 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001501242308 920955911 /nfs/dbraw/zinc/95/59/11/920955911.db2.gz CPTHJEGBRJNEKC-BETUJISGSA-N 2 1 269.389 -0.291 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001501242308 920955924 /nfs/dbraw/zinc/95/59/24/920955924.db2.gz CPTHJEGBRJNEKC-BETUJISGSA-N 2 1 269.389 -0.291 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@]1(CO)CCC[NH+](CCO)C1 ZINC001501369503 920981920 /nfs/dbraw/zinc/98/19/20/920981920.db2.gz QSHUVQJDXIVDNN-CQSZACIVSA-N 2 1 287.404 -0.738 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001501369503 920981934 /nfs/dbraw/zinc/98/19/34/920981934.db2.gz QSHUVQJDXIVDNN-CQSZACIVSA-N 2 1 287.404 -0.738 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001501369503 920981943 /nfs/dbraw/zinc/98/19/43/920981943.db2.gz QSHUVQJDXIVDNN-CQSZACIVSA-N 2 1 287.404 -0.738 20 0 CBADMP CC(C)[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001501443073 921010399 /nfs/dbraw/zinc/01/03/99/921010399.db2.gz KDVDXEHEKPPALA-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001507337349 921813075 /nfs/dbraw/zinc/81/30/75/921813075.db2.gz CTKYHPNYWANLCP-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)CC[NH+](C)C ZINC001507502304 921859496 /nfs/dbraw/zinc/85/94/96/921859496.db2.gz ICWXXEGPKHSSFQ-GFCCVEGCSA-N 2 1 284.360 -0.465 20 0 CBADMP CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)CC[NH+](C)C ZINC001507502305 921860744 /nfs/dbraw/zinc/86/07/44/921860744.db2.gz ICWXXEGPKHSSFQ-LBPRGKRZSA-N 2 1 284.360 -0.465 20 0 CBADMP COCC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001507563154 921866444 /nfs/dbraw/zinc/86/64/44/921866444.db2.gz QUAAEDXMOVBBRL-GFCCVEGCSA-N 2 1 284.360 -0.753 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001507726805 921892389 /nfs/dbraw/zinc/89/23/89/921892389.db2.gz NBVLFVUJPUEJTN-STQMWFEESA-N 2 1 287.404 -0.664 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507726805 921892394 /nfs/dbraw/zinc/89/23/94/921892394.db2.gz NBVLFVUJPUEJTN-STQMWFEESA-N 2 1 287.404 -0.664 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507726805 921892404 /nfs/dbraw/zinc/89/24/04/921892404.db2.gz NBVLFVUJPUEJTN-STQMWFEESA-N 2 1 287.404 -0.664 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@@H](C)O ZINC001507729391 921899241 /nfs/dbraw/zinc/89/92/41/921899241.db2.gz PFNBDYMTHSJCIQ-DGCLKSJQSA-N 2 1 298.387 -0.677 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[N@H+](C)C[C@@H](C)O ZINC001507729391 921899248 /nfs/dbraw/zinc/89/92/48/921899248.db2.gz PFNBDYMTHSJCIQ-DGCLKSJQSA-N 2 1 298.387 -0.677 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C1CC([NH2+]CC(=O)N(C)C)C1 ZINC001508155562 921917342 /nfs/dbraw/zinc/91/73/42/921917342.db2.gz PQXWFELNJMUQAS-UHFFFAOYSA-N 2 1 298.431 -0.006 20 0 CBADMP C[N@H+](CC(=O)NCC1=CC[NH+](CC(N)=O)CC1)C1CCC1 ZINC001508205085 921921595 /nfs/dbraw/zinc/92/15/95/921921595.db2.gz CFJWLVUFGYLKIJ-UHFFFAOYSA-N 2 1 294.399 -0.296 20 0 CBADMP C[N@@H+](CC(=O)NCC1=CC[NH+](CC(N)=O)CC1)C1CCC1 ZINC001508205085 921921604 /nfs/dbraw/zinc/92/16/04/921921604.db2.gz CFJWLVUFGYLKIJ-UHFFFAOYSA-N 2 1 294.399 -0.296 20 0 CBADMP C[NH+](CC(=O)NCC1=CC[N@H+](CC(N)=O)CC1)C1CCC1 ZINC001508205085 921921617 /nfs/dbraw/zinc/92/16/17/921921617.db2.gz CFJWLVUFGYLKIJ-UHFFFAOYSA-N 2 1 294.399 -0.296 20 0 CBADMP C[NH+](CC(=O)NCC1=CC[N@@H+](CC(N)=O)CC1)C1CCC1 ZINC001508205085 921921629 /nfs/dbraw/zinc/92/16/29/921921629.db2.gz CFJWLVUFGYLKIJ-UHFFFAOYSA-N 2 1 294.399 -0.296 20 0 CBADMP C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@@H]1C[N@@H+](C)CCN1C ZINC001515356306 922232454 /nfs/dbraw/zinc/23/24/54/922232454.db2.gz BEUOGUYVEMGIAA-YFKTTZPYSA-N 2 1 256.394 -0.280 20 0 CBADMP C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@@H]1CN(C)CCN1C ZINC001515356306 922232466 /nfs/dbraw/zinc/23/24/66/922232466.db2.gz BEUOGUYVEMGIAA-YFKTTZPYSA-N 2 1 256.394 -0.280 20 0 CBADMP 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 922235803 /nfs/dbraw/zinc/23/58/03/922235803.db2.gz NPZBJCUVEFPVGT-LBELIVKGSA-N 2 1 264.373 -0.949 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C)[NH+](C)C ZINC001520328818 922305416 /nfs/dbraw/zinc/30/54/16/922305416.db2.gz KSPCGETVXBFBMQ-UPJWGTAASA-N 2 1 268.405 -0.169 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001521464919 922355725 /nfs/dbraw/zinc/35/57/25/922355725.db2.gz XKMJAZLBBODCMR-ZYHUDNBSSA-N 2 1 252.318 -0.579 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001521445274 922358202 /nfs/dbraw/zinc/35/82/02/922358202.db2.gz GLNMQYUOHQIIFR-RNJOBUHISA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001521496249 922359570 /nfs/dbraw/zinc/35/95/70/922359570.db2.gz RPSMPHBVLPYREN-JSGCOSHPSA-N 2 1 269.389 -0.051 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)NC[C@H]([NH3+])C3CC3)cc2C[NH2+]1 ZINC001521508409 922361252 /nfs/dbraw/zinc/36/12/52/922361252.db2.gz UQSVVFHGMZODDN-KCJUWKMLSA-N 2 1 263.345 -0.158 20 0 CBADMP C[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001521707128 922378158 /nfs/dbraw/zinc/37/81/58/922378158.db2.gz ZTICIOWKOXWGRZ-VXGBXAGGSA-N 2 1 254.378 -0.557 20 0 CBADMP C[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001521707127 922378623 /nfs/dbraw/zinc/37/86/23/922378623.db2.gz ZTICIOWKOXWGRZ-RYUDHWBXSA-N 2 1 254.378 -0.557 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001521899195 922386274 /nfs/dbraw/zinc/38/62/74/922386274.db2.gz UBDKJJJIAREGDI-JHJVBQTASA-N 2 1 266.389 -0.415 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001521899195 922386285 /nfs/dbraw/zinc/38/62/85/922386285.db2.gz UBDKJJJIAREGDI-JHJVBQTASA-N 2 1 266.389 -0.415 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001521899195 922386298 /nfs/dbraw/zinc/38/62/98/922386298.db2.gz UBDKJJJIAREGDI-JHJVBQTASA-N 2 1 266.389 -0.415 20 0 CBADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C[C@@H](O)C[NH3+] ZINC001522344742 922406005 /nfs/dbraw/zinc/40/60/05/922406005.db2.gz YIYJZUCYGUGYDZ-YPMHNXCESA-N 2 1 263.341 -0.001 20 0 CBADMP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C[C@@H](O)C[NH3+] ZINC001522344742 922406018 /nfs/dbraw/zinc/40/60/18/922406018.db2.gz YIYJZUCYGUGYDZ-YPMHNXCESA-N 2 1 263.341 -0.001 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2NC(=O)C[C@]23CC[NH2+]C3)C1 ZINC001522310283 922407908 /nfs/dbraw/zinc/40/79/08/922407908.db2.gz AQHHYKATYKENFD-MFKMUULPSA-N 2 1 266.345 -0.676 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001523507120 922595632 /nfs/dbraw/zinc/59/56/32/922595632.db2.gz JGPSEEQZOMELLL-YYHQMBLXSA-N 2 1 264.373 -0.616 20 0 CBADMP CN1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC[N@@H+](C)CC1 ZINC001523482658 922597985 /nfs/dbraw/zinc/59/79/85/922597985.db2.gz UQBWLSSMJCSIGZ-HIFRSBDPSA-N 2 1 280.416 -0.308 20 0 CBADMP O=C([C@H]1CCC[NH2+]1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001524009956 922613327 /nfs/dbraw/zinc/61/33/27/922613327.db2.gz ZCILDLHYGDOCJL-AGIUHOORSA-N 2 1 267.373 -0.204 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001524029226 922615190 /nfs/dbraw/zinc/61/51/90/922615190.db2.gz KDLKGHGLGJHMFG-UTUOFQBUSA-N 2 1 256.394 -0.280 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001530887546 922974259 /nfs/dbraw/zinc/97/42/59/922974259.db2.gz UGOCLDVKPINGED-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP CCN1CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001543383395 923288984 /nfs/dbraw/zinc/28/89/84/923288984.db2.gz KIDQNWHOWKKPDW-VXGBXAGGSA-N 2 1 254.378 -0.557 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548546838 923370686 /nfs/dbraw/zinc/37/06/86/923370686.db2.gz DPMAGWIIQZHMCU-SCRDCRAPSA-N 2 1 267.373 -0.177 20 0 CBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@H](O)C[NH3+])CC1 ZINC001548554289 923374589 /nfs/dbraw/zinc/37/45/89/923374589.db2.gz FQWYXCYLYDFXPT-NSHDSACASA-N 3 1 293.371 -0.518 20 0 CBADMP C[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC[N@H+]1C ZINC001548552183 923375868 /nfs/dbraw/zinc/37/58/68/923375868.db2.gz FAFWTXCRGUGVAU-SFTQSGBHSA-N 2 1 267.373 -0.036 20 0 CBADMP C[NH2+]C1CC(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC001548556900 923378220 /nfs/dbraw/zinc/37/82/20/923378220.db2.gz GJMFJPNPUNGTRR-BPCQOVAHSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC001548561360 923385921 /nfs/dbraw/zinc/38/59/21/923385921.db2.gz LPOOSWMTJUOLCR-YUTCNCBUSA-N 2 1 292.383 -0.229 20 0 CBADMP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC001548561041 923386710 /nfs/dbraw/zinc/38/67/10/923386710.db2.gz FZIHHOGCOYCHLW-ZIAGYGMSSA-N 2 1 289.383 -0.542 20 0 CBADMP O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001548569696 923391692 /nfs/dbraw/zinc/39/16/92/923391692.db2.gz RGQOUGZHVMMCLQ-UKRRQHHQSA-N 2 1 297.399 -0.576 20 0 CBADMP C[C@@H]1C[N@H+](CCNC(=O)C[C@]2(O)CCC[NH2+]C2)[C@@H](C)CO1 ZINC001548570881 923392903 /nfs/dbraw/zinc/39/29/03/923392903.db2.gz XZLNBGVNJWXYAZ-GZBFAFLISA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@@H]1C[N@@H+](CCNC(=O)C[C@]2(O)CCC[NH2+]C2)[C@@H](C)CO1 ZINC001548570881 923392913 /nfs/dbraw/zinc/39/29/13/923392913.db2.gz XZLNBGVNJWXYAZ-GZBFAFLISA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)C1CC[NH+](C)CC1 ZINC001548613180 923407093 /nfs/dbraw/zinc/40/70/93/923407093.db2.gz GPBDMIYJYLVAOV-OCCSQVGLSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1(C[NH+](C)C)CCC1 ZINC001548700211 923460204 /nfs/dbraw/zinc/46/02/04/923460204.db2.gz STDOAMMVBPBSSB-STQMWFEESA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001548707940 923464225 /nfs/dbraw/zinc/46/42/25/923464225.db2.gz FXRDHICNIMGBBZ-IIAWOOMASA-N 2 1 292.427 -0.071 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001548707940 923464238 /nfs/dbraw/zinc/46/42/38/923464238.db2.gz FXRDHICNIMGBBZ-IIAWOOMASA-N 2 1 292.427 -0.071 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001548707940 923464250 /nfs/dbraw/zinc/46/42/50/923464250.db2.gz FXRDHICNIMGBBZ-IIAWOOMASA-N 2 1 292.427 -0.071 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC001548731532 923479408 /nfs/dbraw/zinc/47/94/08/923479408.db2.gz GTEBDGCEIPEXRH-MGPQQGTHSA-N 2 1 278.400 -0.319 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001548725923 923479860 /nfs/dbraw/zinc/47/98/60/923479860.db2.gz KTOUJLZUJJZMTK-BYNSBNAKSA-N 2 1 292.427 -0.215 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC001548725923 923479863 /nfs/dbraw/zinc/47/98/63/923479863.db2.gz KTOUJLZUJJZMTK-BYNSBNAKSA-N 2 1 292.427 -0.215 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC001548725923 923479867 /nfs/dbraw/zinc/47/98/67/923479867.db2.gz KTOUJLZUJJZMTK-BYNSBNAKSA-N 2 1 292.427 -0.215 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC([NH+]2CCCC2)C1 ZINC001548726936 923482121 /nfs/dbraw/zinc/48/21/21/923482121.db2.gz AIKYZBNBARISAG-TZMCWYRMSA-N 2 1 278.400 -0.319 20 0 CBADMP Cn1nccc1[C@@H]1[C@@H]([NH2+]C[C@H]2CC[NH2+]C2)CC(=O)N1C ZINC001549043928 923531306 /nfs/dbraw/zinc/53/13/06/923531306.db2.gz RFNIVFCLQHDAPW-MJVIPROJSA-N 2 1 277.372 -0.109 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC001549043661 923531716 /nfs/dbraw/zinc/53/17/16/923531716.db2.gz QAFVHOSITSKHPU-NEPJUHHUSA-N 2 1 293.371 -0.729 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001549045399 923538306 /nfs/dbraw/zinc/53/83/06/923538306.db2.gz VWZWNKIBYXHWDD-NEPJUHHUSA-N 2 1 293.371 -0.729 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001549045251 923538355 /nfs/dbraw/zinc/53/83/55/923538355.db2.gz RHTKZGDWDSJDQR-QWRGUYRKSA-N 2 1 281.360 -0.743 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001549045494 923538381 /nfs/dbraw/zinc/53/83/81/923538381.db2.gz ALQUXZLHODKZSG-WDSKDSINSA-N 2 1 283.357 -0.900 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001549045250 923539817 /nfs/dbraw/zinc/53/98/17/923539817.db2.gz RHTKZGDWDSJDQR-MNOVXSKESA-N 2 1 281.360 -0.743 20 0 CBADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC001549046879 923544356 /nfs/dbraw/zinc/54/43/56/923544356.db2.gz YRTMPADEGYQMAS-PWSUYJOCSA-N 2 1 282.388 -0.574 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@@H](c2ccccc2F)C1 ZINC001549050069 923549326 /nfs/dbraw/zinc/54/93/26/923549326.db2.gz LOCUHGCTJPENOA-USWWRNFRSA-N 2 1 294.330 -0.719 20 0 CBADMP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001549113687 923556885 /nfs/dbraw/zinc/55/68/85/923556885.db2.gz OUDNMIRXIWNZIL-GXTWGEPZSA-N 3 1 266.389 -0.521 20 0 CBADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001549113687 923556897 /nfs/dbraw/zinc/55/68/97/923556897.db2.gz OUDNMIRXIWNZIL-GXTWGEPZSA-N 3 1 266.389 -0.521 20 0 CBADMP O=C(NCC12CC(C1)C[NH2+]2)N1CC[N@H+]2C[C@@H](O)C[C@@H]2C1 ZINC001549212445 923569622 /nfs/dbraw/zinc/56/96/22/923569622.db2.gz FUWSAQSJARAZLG-BEVNXUHPSA-N 2 1 280.372 -0.801 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)O1 ZINC001549202600 923570246 /nfs/dbraw/zinc/57/02/46/923570246.db2.gz RJIZDSQQJHPLPV-UTUOFQBUSA-N 2 1 293.371 -0.730 20 0 CBADMP C[NH2+]CC(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001549290325 923580393 /nfs/dbraw/zinc/58/03/93/923580393.db2.gz LJOXLKXADYTONF-NWDGAFQWSA-N 2 1 267.373 -0.035 20 0 CBADMP COC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001549301480 923587657 /nfs/dbraw/zinc/58/76/57/923587657.db2.gz RWCBQRTUYXQVNE-RWMBFGLXSA-N 2 1 297.399 -0.280 20 0 CBADMP O=C(Nc1cn[nH]c1[C@H]1CC[NH2+]C1)[C@H]1C[NH2+]CCOC1 ZINC001549733075 923633695 /nfs/dbraw/zinc/63/36/95/923633695.db2.gz COCYMBUNZMXTEM-UWVGGRQHSA-N 2 1 279.344 -0.339 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H](C[NH3+])C1(F)F ZINC001550059589 923659020 /nfs/dbraw/zinc/65/90/20/923659020.db2.gz DMCBFIAIKKDXMC-KXUCPTDWSA-N 2 1 299.325 -0.267 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CCC1C[NH2+]C1 ZINC001550059108 923659388 /nfs/dbraw/zinc/65/93/88/923659388.db2.gz AFWKOABJJDDZAC-LBPRGKRZSA-N 2 1 277.372 -0.107 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001550088175 923672498 /nfs/dbraw/zinc/67/24/98/923672498.db2.gz NTCKGPPUVVRDGI-YPMHNXCESA-N 2 1 292.387 -0.230 20 0 CBADMP CO[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC001550103700 923684049 /nfs/dbraw/zinc/68/40/49/923684049.db2.gz HAGXLVGWXYMOSL-CYDGBPFRSA-N 2 1 267.373 -0.084 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)C2)CC1 ZINC001550116773 923689017 /nfs/dbraw/zinc/68/90/17/923689017.db2.gz RPJWOOXYEPNBHI-MGPQQGTHSA-N 2 1 280.416 -0.038 20 0 CBADMP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001550117170 923689271 /nfs/dbraw/zinc/68/92/71/923689271.db2.gz WQHGKVQGAURSNC-VXGBXAGGSA-N 2 1 254.378 -0.428 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)C2)CC1 ZINC001550117100 923690012 /nfs/dbraw/zinc/69/00/12/923690012.db2.gz UZFLPTXNJQRROJ-FMKPAKJESA-N 2 1 292.427 -0.166 20 0 CBADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cn(CCC[NH3+])nn1 ZINC001550122415 923697045 /nfs/dbraw/zinc/69/70/45/923697045.db2.gz GHHINTHBZNZVKA-OLZOCXBDSA-N 2 1 292.387 -0.064 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001550236029 923714730 /nfs/dbraw/zinc/71/47/30/923714730.db2.gz IONKBUGNBOZSPI-GXTWGEPZSA-N 2 1 267.373 -0.033 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001550290427 923715607 /nfs/dbraw/zinc/71/56/07/923715607.db2.gz GCNOYBHECGXUTI-FLTXBFBQSA-N 2 1 296.415 -0.117 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550286628 923715899 /nfs/dbraw/zinc/71/58/99/923715899.db2.gz VKAULQIGOXSCEJ-WTUNAVPPSA-N 2 1 296.415 -0.117 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@H]1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550285967 923717622 /nfs/dbraw/zinc/71/76/22/923717622.db2.gz QKRLQWSCRWMDIW-GTGGMXTKSA-N 2 1 296.415 -0.119 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H]1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001550349319 923719941 /nfs/dbraw/zinc/71/99/41/923719941.db2.gz MSZLUEVWXZJJNF-MGPQQGTHSA-N 3 1 252.406 -0.179 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H]1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001550349319 923719957 /nfs/dbraw/zinc/71/99/57/923719957.db2.gz MSZLUEVWXZJJNF-MGPQQGTHSA-N 2 1 252.406 -0.179 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)C1=O ZINC001550436685 923728942 /nfs/dbraw/zinc/72/89/42/923728942.db2.gz JBHSILHQUFRJNL-BXUZGUMPSA-N 2 1 280.372 -0.059 20 0 CBADMP O[C@@H]1C[C@@H]2CN(C[C@H]3CC4(C[NH2+]C4)CO3)CC[N@H+]2C1 ZINC001550436888 923731495 /nfs/dbraw/zinc/73/14/95/923731495.db2.gz VMBHHPBKDNCHCD-JHJVBQTASA-N 2 1 267.373 -0.884 20 0 CBADMP COCCN1C(=O)N[C@@H]2C[N@H+](CC3CC([NH3+])C3)CC[C@@H]21 ZINC001550704903 923739385 /nfs/dbraw/zinc/73/93/85/923739385.db2.gz PGWDGRUCOIYRMV-TUUUFIMRSA-N 2 1 282.388 -0.162 20 0 CBADMP C[N@@H+]1[C@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)C[C@H]2C[C@H]1CO ZINC001550744584 923745081 /nfs/dbraw/zinc/74/50/81/923745081.db2.gz PHRUCBJVRAJDBB-NRYGQCTKSA-N 2 1 294.399 -0.555 20 0 CBADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001550935060 923755893 /nfs/dbraw/zinc/75/58/93/923755893.db2.gz PBVJGFGIIXVVGZ-JHJVBQTASA-N 3 1 251.374 -0.094 20 0 CBADMP [NH3+][C@@H]1C[C@@H](O)[C@H](N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC001550934964 923756115 /nfs/dbraw/zinc/75/61/15/923756115.db2.gz OMUOJYJMVWTUSQ-RBRCJPGISA-N 3 1 294.443 -0.262 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2C[C@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC001551086321 923763891 /nfs/dbraw/zinc/76/38/91/923763891.db2.gz ZQUCEGZKOGDFIS-GDBMZVCRSA-N 2 1 294.443 -0.110 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC001551086321 923763911 /nfs/dbraw/zinc/76/39/11/923763911.db2.gz ZQUCEGZKOGDFIS-GDBMZVCRSA-N 2 1 294.443 -0.110 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC001551086321 923763925 /nfs/dbraw/zinc/76/39/25/923763925.db2.gz ZQUCEGZKOGDFIS-GDBMZVCRSA-N 2 1 294.443 -0.110 20 0 CBADMP C[C@@H]1C(=O)NCCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001551396831 923773145 /nfs/dbraw/zinc/77/31/45/923773145.db2.gz SQSVCLNPOOCPGL-BZPMIXESSA-N 2 1 267.373 -0.035 20 0 CBADMP CNC(=O)[C@@]12C[N@@H+](CC(C)(C)[NH3+])C[C@H]1COCC2 ZINC001551408401 923776033 /nfs/dbraw/zinc/77/60/33/923776033.db2.gz KKBWGHYPCFPFBH-GWCFXTLKSA-N 2 1 255.362 -0.192 20 0 CBADMP CNC(=O)[C@@]12C[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@@H]1COCC2 ZINC001551411906 923780374 /nfs/dbraw/zinc/78/03/74/923780374.db2.gz UPYJETQMJHODPW-BZPMIXESSA-N 2 1 267.373 -0.320 20 0 CBADMP CNC(=O)[C@@]12C[N@@H+](C[C@@H]3CCC[NH2+]3)C[C@H]1COCC2 ZINC001551411837 923780537 /nfs/dbraw/zinc/78/05/37/923780537.db2.gz ULRFOLKELPYXKE-OBJOEFQTSA-N 2 1 267.373 -0.177 20 0 CBADMP CNC(=O)[C@@]12C[N@@H+](C[C@H]3CCC[NH2+]3)C[C@H]1COCC2 ZINC001551411841 923781531 /nfs/dbraw/zinc/78/15/31/923781531.db2.gz ULRFOLKELPYXKE-SCRDCRAPSA-N 2 1 267.373 -0.177 20 0 CBADMP 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 923795884 /nfs/dbraw/zinc/79/58/84/923795884.db2.gz DMTDLZTXHJDSCF-HYFYGGESSA-N 2 1 279.384 -0.084 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)[C@@H](C)C1 ZINC001551581716 923803787 /nfs/dbraw/zinc/80/37/87/923803787.db2.gz OVBSZFSFXFGJDO-NHTUMMBNSA-N 2 1 296.415 -0.037 20 0 CBADMP C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551618856 923807966 /nfs/dbraw/zinc/80/79/66/923807966.db2.gz YWVKTNYICNILDW-FOVPLOTGSA-N 2 1 296.415 -0.037 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552199711 923855417 /nfs/dbraw/zinc/85/54/17/923855417.db2.gz GQMJODHPDIPOPW-NQBHXWOUSA-N 2 1 253.346 -0.710 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552200454 923856356 /nfs/dbraw/zinc/85/63/56/923856356.db2.gz CLKDGBLJAFYSMI-MISXGVKJSA-N 2 1 265.357 -0.425 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552201111 923858563 /nfs/dbraw/zinc/85/85/63/923858563.db2.gz RKGZKOFWNKHRGY-MBNYWOFBSA-N 2 1 267.373 -0.320 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552201587 923860686 /nfs/dbraw/zinc/86/06/86/923860686.db2.gz SMXKZEBLJVXSQX-MBNYWOFBSA-N 2 1 283.372 -0.941 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552210847 923868003 /nfs/dbraw/zinc/86/80/03/923868003.db2.gz RLAHLSLNNJQXQQ-SYQHCUMBSA-N 2 1 299.415 -0.164 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552205899 923868316 /nfs/dbraw/zinc/86/83/16/923868316.db2.gz SVXKQVCYUFPBKA-YRGRVCCFSA-N 2 1 267.373 -0.177 20 0 CBADMP CN(C(=O)[C@]12C[NH2+]C[C@@H]1COC2)[C@H]1CC[N@@H+](C)C1 ZINC001552215368 923869156 /nfs/dbraw/zinc/86/91/56/923869156.db2.gz FZDJDOBDQHITEV-MDZLAQPJSA-N 2 1 253.346 -0.615 20 0 CBADMP N[C@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C[C@H]1[NH3+] ZINC001552282191 923880053 /nfs/dbraw/zinc/88/00/53/923880053.db2.gz HYSYBOZDKBWUDW-GUTXKFCHSA-N 2 1 274.368 -0.586 20 0 CBADMP C[C@@H]1CN(C(=O)N2C[C@H](N)[C@@H]([NH3+])C2)CC[N@H+](C2CC2)C1 ZINC001552294072 923886676 /nfs/dbraw/zinc/88/66/76/923886676.db2.gz XRKKLXHSUMDKAR-DRZSPHRISA-N 2 1 281.404 -0.507 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@H]3CCC[NH2+]3)C2)CC1 ZINC001552954907 923926739 /nfs/dbraw/zinc/92/67/39/923926739.db2.gz NESXYRNPLZVIPM-ZIAGYGMSSA-N 2 1 295.431 -0.230 20 0 CBADMP CN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)C2)CC1 ZINC001552954997 923927320 /nfs/dbraw/zinc/92/73/20/923927320.db2.gz RRQXLEYVDSNVRV-KBPBESRZSA-N 2 1 295.431 -0.245 20 0 CBADMP CN1CC[NH+]([C@H]2CCN(C(=O)N[C@H]3CCC[NH2+]C3)C2)CC1 ZINC001552954576 923927517 /nfs/dbraw/zinc/92/75/17/923927517.db2.gz LHMKKAUWMNXNOC-KBPBESRZSA-N 2 1 295.431 -0.230 20 0 CBADMP N[C@H]1CN(C(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001552959909 923927688 /nfs/dbraw/zinc/92/76/88/923927688.db2.gz IAZGBWVJKLMBAG-FRRDWIJNSA-N 2 1 295.431 -0.021 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)C1 ZINC001553348122 923952173 /nfs/dbraw/zinc/95/21/73/923952173.db2.gz IQXLXTGGVSXHQY-YRGRVCCFSA-N 3 1 266.389 -0.652 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)C1 ZINC001553348122 923952187 /nfs/dbraw/zinc/95/21/87/923952187.db2.gz IQXLXTGGVSXHQY-YRGRVCCFSA-N 3 1 266.389 -0.652 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CC[C@H]([NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553347510 923952646 /nfs/dbraw/zinc/95/26/46/923952646.db2.gz GMVSPRCFLHPEAO-GVXVVHGQSA-N 3 1 252.362 -0.913 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CC[C@H]([NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553347510 923952657 /nfs/dbraw/zinc/95/26/57/923952657.db2.gz GMVSPRCFLHPEAO-GVXVVHGQSA-N 3 1 252.362 -0.913 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC(C[NH3+])CC3)C[NH2+]C[C@H]2C1 ZINC001553348813 923952951 /nfs/dbraw/zinc/95/29/51/923952951.db2.gz KIAVUCSSOPHFLX-ZFWWWQNUSA-N 3 1 280.416 -0.275 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CCC(C[NH3+])CC3)C[NH2+]C[C@H]2C1 ZINC001553348813 923952961 /nfs/dbraw/zinc/95/29/61/923952961.db2.gz KIAVUCSSOPHFLX-ZFWWWQNUSA-N 3 1 280.416 -0.275 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC[C@@H](C[NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553349872 923954502 /nfs/dbraw/zinc/95/45/02/923954502.db2.gz FBPZCTCZWDARJQ-YDHLFZDLSA-N 3 1 280.416 -0.275 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CCC[C@@H](C[NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553349872 923954520 /nfs/dbraw/zinc/95/45/20/923954520.db2.gz FBPZCTCZWDARJQ-YDHLFZDLSA-N 3 1 280.416 -0.275 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC[C@@H]3CCC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553355185 923956253 /nfs/dbraw/zinc/95/62/53/923956253.db2.gz UMIBBDMDYBGQGY-NFAWXSAZSA-N 3 1 280.416 -0.357 20 0 CBADMP CN1CC[C@]2(C(=O)NC[C@@H]3CCC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553355185 923956261 /nfs/dbraw/zinc/95/62/61/923956261.db2.gz UMIBBDMDYBGQGY-NFAWXSAZSA-N 2 1 280.416 -0.357 20 0 CBADMP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)CC[NH2+]1 ZINC001553353525 923957362 /nfs/dbraw/zinc/95/73/62/923957362.db2.gz GAPFUADVAKGKSG-YRGRVCCFSA-N 3 1 266.389 -0.652 20 0 CBADMP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)CC[NH2+]1 ZINC001553353525 923957379 /nfs/dbraw/zinc/95/73/79/923957379.db2.gz GAPFUADVAKGKSG-YRGRVCCFSA-N 3 1 266.389 -0.652 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)C1 ZINC001553354401 923957689 /nfs/dbraw/zinc/95/76/89/923957689.db2.gz QVONYKFGETVGHS-KCQAQPDRSA-N 3 1 280.416 -0.404 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)C1 ZINC001553354401 923957701 /nfs/dbraw/zinc/95/77/01/923957701.db2.gz QVONYKFGETVGHS-KCQAQPDRSA-N 3 1 280.416 -0.404 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc3n(n2)C[C@@H](C)[NH2+]C3)CCO1 ZINC001553357698 923959993 /nfs/dbraw/zinc/95/99/93/923959993.db2.gz GUNIRTHSKBVXIB-NRUUGDAUSA-N 2 1 293.371 -0.437 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N3CCC[C@H]3C[NH3+])cc2C[NH2+]1 ZINC001553356366 923961117 /nfs/dbraw/zinc/96/11/17/923961117.db2.gz CBOVADXLKBCHGW-UWVGGRQHSA-N 2 1 263.345 -0.062 20 0 CBADMP C[NH2+]C1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)CC1 ZINC001553358702 923961600 /nfs/dbraw/zinc/96/16/00/923961600.db2.gz POTPFBIJPWZULH-DOMZBBRYSA-N 3 1 280.416 -0.262 20 0 CBADMP C[NH2+]C1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)CC1 ZINC001553358702 923961611 /nfs/dbraw/zinc/96/16/11/923961611.db2.gz POTPFBIJPWZULH-DOMZBBRYSA-N 3 1 280.416 -0.262 20 0 CBADMP CCN(CC(=O)N(C)C)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553396837 923971568 /nfs/dbraw/zinc/97/15/68/923971568.db2.gz LMJQQSUNKKQKQZ-IUODEOHRSA-N 2 1 296.415 -0.536 20 0 CBADMP CCN(CC(=O)N(C)C)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553396837 923971576 /nfs/dbraw/zinc/97/15/76/923971576.db2.gz LMJQQSUNKKQKQZ-IUODEOHRSA-N 2 1 296.415 -0.536 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553407118 923981152 /nfs/dbraw/zinc/98/11/52/923981152.db2.gz GUHNONVEMYDCFU-RHYQMDGZSA-N 2 1 253.346 -0.284 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553410366 923982822 /nfs/dbraw/zinc/98/28/22/923982822.db2.gz KXRHPDIZAWCPCY-ZOBORPQBSA-N 2 1 297.399 -0.267 20 0 CBADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553409976 923983025 /nfs/dbraw/zinc/98/30/25/923983025.db2.gz LZSAAZKXRBQSKQ-XUXIUFHCSA-N 2 1 297.399 -0.579 20 0 CBADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553409565 923984004 /nfs/dbraw/zinc/98/40/04/923984004.db2.gz LZSAAZKXRBQSKQ-CRWXNKLISA-N 2 1 297.399 -0.579 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553409370 923984714 /nfs/dbraw/zinc/98/47/14/923984714.db2.gz JXKRXHUKBDYSDK-CYDGBPFRSA-N 2 1 283.372 -0.657 20 0 CBADMP 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 923995242 /nfs/dbraw/zinc/99/52/42/923995242.db2.gz RARBCKGWHWBMRG-WZBKEBKWSA-N 2 1 295.383 -0.971 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1C[C@@H]([NH3+])C2(CCC2)C1 ZINC001553446970 924001776 /nfs/dbraw/zinc/00/17/76/924001776.db2.gz FLRBIGJGAJJKGS-QWHCGFSZSA-N 2 1 295.431 -0.245 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553439885 924003483 /nfs/dbraw/zinc/00/34/83/924003483.db2.gz WLIRDYVDTGRPDH-FIQHERPVSA-N 2 1 252.362 -0.073 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[C@]3([NH3+])C2)C1 ZINC001553459441 924004135 /nfs/dbraw/zinc/00/41/35/924004135.db2.gz VPBWDKGYHVONMR-OBJOEFQTSA-N 2 1 282.388 -0.160 20 0 CBADMP C[C@H](C[NH3+])NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553497930 924012030 /nfs/dbraw/zinc/01/20/30/924012030.db2.gz RAMUJKXGEDHQQN-UTUOFQBUSA-N 2 1 270.377 -0.426 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553498339 924013170 /nfs/dbraw/zinc/01/31/70/924013170.db2.gz TXRVQEFKUGCGBD-UPJWGTAASA-N 2 1 284.404 -0.036 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553504946 924017983 /nfs/dbraw/zinc/01/79/83/924017983.db2.gz SYFWLYFFYPZGBH-AGIUHOORSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001553516118 924020943 /nfs/dbraw/zinc/02/09/43/924020943.db2.gz ZAGJWHMBOCDDBW-RWMBFGLXSA-N 2 1 284.404 -0.036 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553518266 924021940 /nfs/dbraw/zinc/02/19/40/924021940.db2.gz QLAYVXQDLPMEKX-SECBINFHSA-N 2 1 292.330 -0.270 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553527099 924024519 /nfs/dbraw/zinc/02/45/19/924024519.db2.gz JJXZOFVSMIBBPY-RQJABVFESA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001553535205 924025135 /nfs/dbraw/zinc/02/51/35/924025135.db2.gz YWBVZMNWDRJCND-MGPQQGTHSA-N 2 1 295.431 -0.374 20 0 CBADMP [NH3+]CC1(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC001553534685 924025666 /nfs/dbraw/zinc/02/56/66/924025666.db2.gz YTXVUVIDTQJJJN-QWHCGFSZSA-N 2 1 296.415 -0.034 20 0 CBADMP [NH3+]C1(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC001553541298 924027693 /nfs/dbraw/zinc/02/76/93/924027693.db2.gz XGKSFUHFPKYDGW-NWDGAFQWSA-N 2 1 282.388 -0.282 20 0 CBADMP C[C@@H]1CN(C(=O)C[NH2+]C(C)(C)C)CC[N@@H+]1CCO ZINC001556296622 924054557 /nfs/dbraw/zinc/05/45/57/924054557.db2.gz FIZQSEUGPFKWAP-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H]1CN(C(=O)C[NH2+]C(C)(C)C)CC[N@H+]1CCO ZINC001556296622 924054562 /nfs/dbraw/zinc/05/45/62/924054562.db2.gz FIZQSEUGPFKWAP-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001557000652 924099939 /nfs/dbraw/zinc/09/99/39/924099939.db2.gz BKEVNRCAAJTXCE-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001557000652 924099956 /nfs/dbraw/zinc/09/99/56/924099956.db2.gz BKEVNRCAAJTXCE-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001557000652 924099969 /nfs/dbraw/zinc/09/99/69/924099969.db2.gz BKEVNRCAAJTXCE-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001557000652 924099983 /nfs/dbraw/zinc/09/99/83/924099983.db2.gz BKEVNRCAAJTXCE-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(CCC[N@@H+](C)CCC(=O)NC(N)=O)CC[NH+](C)C ZINC000411739343 282092333 /nfs/dbraw/zinc/09/23/33/282092333.db2.gz WIGOHMOTHCTNSH-UHFFFAOYSA-N 2 1 287.408 -0.613 20 0 CBADMP CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000124999474 187165003 /nfs/dbraw/zinc/16/50/03/187165003.db2.gz LBJOWJYSDWLWJH-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000124999474 187165004 /nfs/dbraw/zinc/16/50/04/187165004.db2.gz LBJOWJYSDWLWJH-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337760333 214249045 /nfs/dbraw/zinc/24/90/45/214249045.db2.gz OPFRCMXAABZEAL-NSHDSACASA-N 2 1 263.407 -0.061 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000377292283 529377688 /nfs/dbraw/zinc/37/76/88/529377688.db2.gz QFTFEDSODFZKAO-QNWHQSFQSA-N 2 1 285.388 -0.987 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000377292283 529377690 /nfs/dbraw/zinc/37/76/90/529377690.db2.gz QFTFEDSODFZKAO-QNWHQSFQSA-N 2 1 285.388 -0.987 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000337834401 214280286 /nfs/dbraw/zinc/28/02/86/214280286.db2.gz CMFKEVADWXVMSL-WDEREUQCSA-N 2 1 268.361 -0.806 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000337839895 214282044 /nfs/dbraw/zinc/28/20/44/214282044.db2.gz FPJYWWGGMQLOMN-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000126150642 187221134 /nfs/dbraw/zinc/22/11/34/187221134.db2.gz WAQJXYMAYJBAAE-SCRDCRAPSA-N 2 1 296.415 -0.171 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000419869063 290663673 /nfs/dbraw/zinc/66/36/73/290663673.db2.gz IHMULNFUCOBMKL-UHFFFAOYSA-N 2 1 270.377 -0.878 20 0 CBADMP CC[N@@H+](C)CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000126307812 187232061 /nfs/dbraw/zinc/23/20/61/187232061.db2.gz XERQOEUWLDYNRB-NSHDSACASA-N 2 1 258.366 -0.846 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351475554 219100294 /nfs/dbraw/zinc/10/02/94/219100294.db2.gz IVPIPIHRMRAMNQ-FIQHERPVSA-N 2 1 298.387 -0.484 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351475554 219100296 /nfs/dbraw/zinc/10/02/96/219100296.db2.gz IVPIPIHRMRAMNQ-FIQHERPVSA-N 2 1 298.387 -0.484 20 0 CBADMP CCCC[N@@H+](CCO)CCC(=O)N1CC[NH2+]CC1 ZINC000351478270 219100905 /nfs/dbraw/zinc/10/09/05/219100905.db2.gz XFFINACSZQRHCG-UHFFFAOYSA-N 2 1 257.378 -0.097 20 0 CBADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000351515877 219110638 /nfs/dbraw/zinc/11/06/38/219110638.db2.gz DCZACLWHIQSAAY-ZYHUDNBSSA-N 2 1 280.372 -0.793 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000351541898 219120507 /nfs/dbraw/zinc/12/05/07/219120507.db2.gz QKLNJFWREIXDCU-OLZOCXBDSA-N 2 1 294.399 -0.449 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351557935 219125260 /nfs/dbraw/zinc/12/52/60/219125260.db2.gz QMDKPSTVTPVRNU-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000351556398 219125301 /nfs/dbraw/zinc/12/53/01/219125301.db2.gz NZOLKQFZOQUPAO-WZRBSPASSA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C[C@H](O)C[NH+](C)C2CC2)[C@H](C)C1 ZINC000351584828 219136396 /nfs/dbraw/zinc/13/63/96/219136396.db2.gz XEWRCDDSMWMKQE-VNHYZAJKSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)[C@H](C)C1 ZINC000351584828 219136399 /nfs/dbraw/zinc/13/63/99/219136399.db2.gz XEWRCDDSMWMKQE-VNHYZAJKSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)[C@H](C)C1 ZINC000351584828 219136402 /nfs/dbraw/zinc/13/64/02/219136402.db2.gz XEWRCDDSMWMKQE-VNHYZAJKSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351591687 219137600 /nfs/dbraw/zinc/13/76/00/219137600.db2.gz GGKHTDLMYFTPKX-JSGCOSHPSA-N 2 1 271.405 -0.560 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1 ZINC000338301265 530067381 /nfs/dbraw/zinc/06/73/81/530067381.db2.gz FXVZIWAITWGGAQ-BFHYXJOUSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1 ZINC000338301265 530067382 /nfs/dbraw/zinc/06/73/82/530067382.db2.gz FXVZIWAITWGGAQ-BFHYXJOUSA-N 2 1 281.400 -0.147 20 0 CBADMP CNC(=O)CCC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351711279 219183125 /nfs/dbraw/zinc/18/31/25/219183125.db2.gz GVQGDSSDRJKQCZ-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CNC(=O)CCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351711279 219183128 /nfs/dbraw/zinc/18/31/28/219183128.db2.gz GVQGDSSDRJKQCZ-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CNC(=O)CCC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351711279 219183132 /nfs/dbraw/zinc/18/31/32/219183132.db2.gz GVQGDSSDRJKQCZ-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CNC(=O)CCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351711279 219183133 /nfs/dbraw/zinc/18/31/33/219183133.db2.gz GVQGDSSDRJKQCZ-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC000351776033 219204148 /nfs/dbraw/zinc/20/41/48/219204148.db2.gz XNUKRIZNZYVONO-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP CCNC(=O)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000339316715 215091612 /nfs/dbraw/zinc/09/16/12/215091612.db2.gz NCULMPVVBMOVEY-AWEZNQCLSA-N 2 1 298.431 -0.099 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CCC[NH+](C)CC1 ZINC000339364947 215122798 /nfs/dbraw/zinc/12/27/98/215122798.db2.gz IWCQCIDOTZQSSF-UHFFFAOYSA-N 2 1 272.393 -0.088 20 0 CBADMP COCC[NH+](C)CCNC(=O)N1CCC[N@H+](C)CC1 ZINC000339364947 215122801 /nfs/dbraw/zinc/12/28/01/215122801.db2.gz IWCQCIDOTZQSSF-UHFFFAOYSA-N 2 1 272.393 -0.088 20 0 CBADMP COCC[NH+](C)CCNC(=O)N1CCC[N@@H+](C)CC1 ZINC000339364947 215122803 /nfs/dbraw/zinc/12/28/03/215122803.db2.gz IWCQCIDOTZQSSF-UHFFFAOYSA-N 2 1 272.393 -0.088 20 0 CBADMP CN(C)c1cc(NC(=O)CNC(=O)C[NH3+])cc[nH+]1 ZINC000274393196 352536776 /nfs/dbraw/zinc/53/67/76/352536776.db2.gz DQFQDRBVYCEXHD-UHFFFAOYSA-N 2 1 251.290 -0.839 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)[C@@H](C)C[N@H+]1C ZINC000352023961 219292460 /nfs/dbraw/zinc/29/24/60/219292460.db2.gz BVTIZAPZEFGLHS-HZSPNIEDSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)[C@@H](C)C[NH+]1C ZINC000352023961 219292462 /nfs/dbraw/zinc/29/24/62/219292462.db2.gz BVTIZAPZEFGLHS-HZSPNIEDSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)[C@@H](C)C[NH+]1C ZINC000352023961 219292464 /nfs/dbraw/zinc/29/24/64/219292464.db2.gz BVTIZAPZEFGLHS-HZSPNIEDSA-N 2 1 280.416 -0.073 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091291159 180123097 /nfs/dbraw/zinc/12/30/97/180123097.db2.gz WRGSZKANFNSVMX-NSHDSACASA-N 2 1 275.418 -0.224 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)NCCC[NH+]1CCOCC1 ZINC000091299338 180125595 /nfs/dbraw/zinc/12/55/95/180125595.db2.gz FQSSTPYHOLIGKU-GFCCVEGCSA-N 2 1 271.361 -0.797 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091299137 180125706 /nfs/dbraw/zinc/12/57/06/180125706.db2.gz UFGKYXCJHXBKBX-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000091300372 180127614 /nfs/dbraw/zinc/12/76/14/180127614.db2.gz VISVJCYAWHDIRU-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP C[NH2+]CCCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668821 180224031 /nfs/dbraw/zinc/22/40/31/180224031.db2.gz STQPLQXNOYTTFU-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000106403120 186113980 /nfs/dbraw/zinc/11/39/80/186113980.db2.gz JDOHHJVCPZDJHU-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000106403120 186113982 /nfs/dbraw/zinc/11/39/82/186113982.db2.gz JDOHHJVCPZDJHU-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000106921843 186150842 /nfs/dbraw/zinc/15/08/42/186150842.db2.gz OJRQXBYDKUMGPX-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000106921845 186151636 /nfs/dbraw/zinc/15/16/36/186151636.db2.gz OJRQXBYDKUMGPX-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP COCC[NH2+]CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000092495642 180396322 /nfs/dbraw/zinc/39/63/22/180396322.db2.gz JUMLVNILQWOJPW-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[NH2+]CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000092495641 180396605 /nfs/dbraw/zinc/39/66/05/180396605.db2.gz JUMLVNILQWOJPW-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000036190726 351389169 /nfs/dbraw/zinc/38/91/69/351389169.db2.gz DBQMEGKBTMNKOO-UHFFFAOYSA-N 2 1 282.388 -0.639 20 0 CBADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000037020399 351396468 /nfs/dbraw/zinc/39/64/68/351396468.db2.gz PRPJOHPXMXINJE-MFKMUULPSA-N 2 1 284.404 -0.314 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000037117176 351397023 /nfs/dbraw/zinc/39/70/23/351397023.db2.gz REXGAPQHMLXBQY-LBPRGKRZSA-N 2 1 255.362 -0.033 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042169805 351427775 /nfs/dbraw/zinc/42/77/75/351427775.db2.gz HPHBLZZEVPIBTC-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042169805 351427779 /nfs/dbraw/zinc/42/77/79/351427779.db2.gz HPHBLZZEVPIBTC-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000043499909 351441257 /nfs/dbraw/zinc/44/12/57/351441257.db2.gz KSRRKJMPEUUEGB-VXGBXAGGSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000043499903 351441292 /nfs/dbraw/zinc/44/12/92/351441292.db2.gz KSRRKJMPEUUEGB-NEPJUHHUSA-N 2 1 254.378 -0.523 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000037819304 351408080 /nfs/dbraw/zinc/40/80/80/351408080.db2.gz ZVFULKGDDXNVAX-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000037819304 351408081 /nfs/dbraw/zinc/40/80/81/351408081.db2.gz ZVFULKGDDXNVAX-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000037826841 351408959 /nfs/dbraw/zinc/40/89/59/351408959.db2.gz YROXGBQYBBVXIN-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP CC1CC[NH+](CCCNC(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000040833034 351420730 /nfs/dbraw/zinc/42/07/30/351420730.db2.gz HDPWVZWOSAFQAG-NSHDSACASA-N 2 1 270.377 -0.573 20 0 CBADMP CC(=O)N1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000053298980 351526458 /nfs/dbraw/zinc/52/64/58/351526458.db2.gz KOOJASBGQJMLBS-UHFFFAOYSA-N 2 1 282.388 -0.638 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062899488 351576837 /nfs/dbraw/zinc/57/68/37/351576837.db2.gz CYGAJIBDEVAPKR-CQSZACIVSA-N 2 1 268.405 -0.260 20 0 CBADMP Cn1nccc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063178296 351580488 /nfs/dbraw/zinc/58/04/88/351580488.db2.gz UWRLNRRQLLROQA-LLVKDONJSA-N 2 1 265.361 -0.293 20 0 CBADMP CC(C)[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179924 351580570 /nfs/dbraw/zinc/58/05/70/351580570.db2.gz RKPRQKUQWFKUTE-OLZOCXBDSA-N 2 1 298.431 -0.066 20 0 CBADMP CC(C)(C)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179676 351580598 /nfs/dbraw/zinc/58/05/98/351580598.db2.gz IUUOAHAAJGPSEF-NSHDSACASA-N 2 1 284.404 -0.312 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000063179951 351580782 /nfs/dbraw/zinc/58/07/82/351580782.db2.gz NIYQAJDPOPOXMK-GFCCVEGCSA-N 2 1 265.361 -0.330 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000070171091 351635934 /nfs/dbraw/zinc/63/59/34/351635934.db2.gz AGJMWDSUYKLEDV-AWEZNQCLSA-N 2 1 296.415 -0.262 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000070174116 351636091 /nfs/dbraw/zinc/63/60/91/351636091.db2.gz SOPGWWSJIQKLCN-ZJUUUORDSA-N 2 1 254.334 -0.403 20 0 CBADMP C[C@@H]([NH3+])CCC(=O)NCCC[NH+]1CCN(C)CC1 ZINC000070317399 351639204 /nfs/dbraw/zinc/63/92/04/351639204.db2.gz SIMVTQICRSBWGC-GFCCVEGCSA-N 2 1 256.394 -0.133 20 0 CBADMP COCCOCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000070481630 351639640 /nfs/dbraw/zinc/63/96/40/351639640.db2.gz VMCLWQXLSGUHPM-LBPRGKRZSA-N 2 1 273.377 -0.564 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NC(=O)NC(C)(C)C ZINC000071150628 351643183 /nfs/dbraw/zinc/64/31/83/351643183.db2.gz VWNQNKVSDQCRJA-UHFFFAOYSA-N 2 1 299.419 -0.552 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NC(=O)NC(C)(C)C ZINC000071150628 351643186 /nfs/dbraw/zinc/64/31/86/351643186.db2.gz VWNQNKVSDQCRJA-UHFFFAOYSA-N 2 1 299.419 -0.552 20 0 CBADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)NCC(=O)OC)C1 ZINC000072859491 351651278 /nfs/dbraw/zinc/65/12/78/351651278.db2.gz QESPNZDZSDXBME-GFCCVEGCSA-N 2 1 285.388 -0.061 20 0 CBADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)NCC(=O)OC)C1 ZINC000072859491 351651281 /nfs/dbraw/zinc/65/12/81/351651281.db2.gz QESPNZDZSDXBME-GFCCVEGCSA-N 2 1 285.388 -0.061 20 0 CBADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)NCC(=O)OC)C1 ZINC000072859491 351651283 /nfs/dbraw/zinc/65/12/83/351651283.db2.gz QESPNZDZSDXBME-GFCCVEGCSA-N 2 1 285.388 -0.061 20 0 CBADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068807448 351622499 /nfs/dbraw/zinc/62/24/99/351622499.db2.gz GQXHIRJALSLZBH-UTUOFQBUSA-N 2 1 256.394 -0.278 20 0 CBADMP COCCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081454396 351707990 /nfs/dbraw/zinc/70/79/90/351707990.db2.gz LUYPQULHXJBPJV-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081454396 351707993 /nfs/dbraw/zinc/70/79/93/351707993.db2.gz LUYPQULHXJBPJV-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081454396 351707994 /nfs/dbraw/zinc/70/79/94/351707994.db2.gz LUYPQULHXJBPJV-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081454396 351707995 /nfs/dbraw/zinc/70/79/95/351707995.db2.gz LUYPQULHXJBPJV-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000081231011 351703265 /nfs/dbraw/zinc/70/32/65/351703265.db2.gz WLHGNXXVRRZKAQ-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000081231011 351703273 /nfs/dbraw/zinc/70/32/73/351703273.db2.gz WLHGNXXVRRZKAQ-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)C1CC1 ZINC000081338851 351705976 /nfs/dbraw/zinc/70/59/76/351705976.db2.gz WQRRKUDSRQVLHR-CMPLNLGQSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C1CC1 ZINC000081338851 351705980 /nfs/dbraw/zinc/70/59/80/351705980.db2.gz WQRRKUDSRQVLHR-CMPLNLGQSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+](C)C1CC1 ZINC000081338851 351705984 /nfs/dbraw/zinc/70/59/84/351705984.db2.gz WQRRKUDSRQVLHR-CMPLNLGQSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+](C)C1CC1 ZINC000081338851 351705989 /nfs/dbraw/zinc/70/59/89/351705989.db2.gz WQRRKUDSRQVLHR-CMPLNLGQSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000088372402 351725097 /nfs/dbraw/zinc/72/50/97/351725097.db2.gz CWCHAPZPQRTGBM-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1COCC[NH2+]1)C1CCCC1 ZINC000088372443 351725305 /nfs/dbraw/zinc/72/53/05/351725305.db2.gz WIQDUNFVJPIYOF-GFCCVEGCSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1COCC[NH2+]1)C1CCCC1 ZINC000088372443 351725307 /nfs/dbraw/zinc/72/53/07/351725307.db2.gz WIQDUNFVJPIYOF-GFCCVEGCSA-N 2 1 255.362 -0.035 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000082258035 351711361 /nfs/dbraw/zinc/71/13/61/351711361.db2.gz HLNOHLHYGMOBLK-CYBMUJFWSA-N 2 1 268.405 -0.118 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)C[NH+]1CCOCC1 ZINC000082257965 351711506 /nfs/dbraw/zinc/71/15/06/351711506.db2.gz LEDHVEULYRGONU-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000111597665 351803946 /nfs/dbraw/zinc/80/39/46/351803946.db2.gz GRXJWUBTJCUGNK-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000109702689 351798618 /nfs/dbraw/zinc/79/86/18/351798618.db2.gz RIMXXBFJMHTHSX-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000109702689 351798621 /nfs/dbraw/zinc/79/86/21/351798621.db2.gz RIMXXBFJMHTHSX-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000092951138 351755183 /nfs/dbraw/zinc/75/51/83/351755183.db2.gz SNYBGLUEILWXJS-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP C[NH+]1CCN(C(=O)CN2CC[NH+](CC3CC3)CC2)CC1 ZINC000093159536 351756621 /nfs/dbraw/zinc/75/66/21/351756621.db2.gz LRXYLSSHMYISHL-UHFFFAOYSA-N 2 1 280.416 -0.212 20 0 CBADMP C[NH+](C)CC(C)(C)CNC(=O)CN1CC[NH+](C)CC1 ZINC000111540086 351802577 /nfs/dbraw/zinc/80/25/77/351802577.db2.gz YFDUPLSEQYPXCY-UHFFFAOYSA-N 2 1 270.421 -0.062 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000111695974 351806371 /nfs/dbraw/zinc/80/63/71/351806371.db2.gz JSIAINWEHOGGSB-VXGBXAGGSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000111695974 351806373 /nfs/dbraw/zinc/80/63/73/351806373.db2.gz JSIAINWEHOGGSB-VXGBXAGGSA-N 2 1 255.362 -0.096 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000114073026 351814890 /nfs/dbraw/zinc/81/48/90/351814890.db2.gz CHJZPWICULHFOH-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000114073026 351814895 /nfs/dbraw/zinc/81/48/95/351814895.db2.gz CHJZPWICULHFOH-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000114073026 351814900 /nfs/dbraw/zinc/81/49/00/351814900.db2.gz CHJZPWICULHFOH-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000114073106 351815099 /nfs/dbraw/zinc/81/50/99/351815099.db2.gz OFMPIJONGPNXMS-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000114076521 351816035 /nfs/dbraw/zinc/81/60/35/351816035.db2.gz ZBHBNIROCTXJMC-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[C@H]1C[N@@H+](CCC(=O)NC(=O)NC)CC[C@@H]1[NH3+] ZINC000122808138 351853819 /nfs/dbraw/zinc/85/38/19/351853819.db2.gz VGMDWMVLHGDFNZ-UWVGGRQHSA-N 2 1 256.350 -0.109 20 0 CBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CNC(=O)C[NH3+] ZINC000125244450 351856983 /nfs/dbraw/zinc/85/69/83/351856983.db2.gz AMORBOOZIAGFIA-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP Cn1c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(=O)n(C)c1=O ZINC000125376307 351857812 /nfs/dbraw/zinc/85/78/12/351857812.db2.gz NTTFLMMHDFFPDQ-UHTWSYAYSA-N 2 1 292.383 -0.357 20 0 CBADMP COc1ccccc1[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000125752953 351858463 /nfs/dbraw/zinc/85/84/63/351858463.db2.gz UJSSLBJHKBOQIA-AWEZNQCLSA-N 2 1 292.383 -0.284 20 0 CBADMP CC[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000130543631 351879983 /nfs/dbraw/zinc/87/99/83/351879983.db2.gz WJAYFUUIDLGOTD-LLVKDONJSA-N 2 1 292.387 -0.072 20 0 CBADMP CNC(=O)C[NH+](C)CCCC[N@H+](C)CC(=O)NC ZINC000127436654 351862895 /nfs/dbraw/zinc/86/28/95/351862895.db2.gz NZRXSUDVHBCBKM-UHFFFAOYSA-N 2 1 258.366 -0.878 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150762667 351931354 /nfs/dbraw/zinc/93/13/54/351931354.db2.gz MDZWOTBYVUPXBL-LLVKDONJSA-N 2 1 268.361 -0.011 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2)CC[N@H+]1C ZINC000157865639 351957046 /nfs/dbraw/zinc/95/70/46/351957046.db2.gz MJNZLYDSRLQMPA-VXGBXAGGSA-N 2 1 254.378 -0.510 20 0 CBADMP O=C(CN1CC[NH2+]CC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000157780840 351957998 /nfs/dbraw/zinc/95/79/98/351957998.db2.gz XLLBQCFHNUCMPU-STQMWFEESA-N 2 1 266.389 -0.365 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000131567455 187573689 /nfs/dbraw/zinc/57/36/89/187573689.db2.gz MSDUJEDEDUNYNA-DTWKUNHWSA-N 2 1 254.334 -0.356 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000131567455 187573690 /nfs/dbraw/zinc/57/36/90/187573690.db2.gz MSDUJEDEDUNYNA-DTWKUNHWSA-N 2 1 254.334 -0.356 20 0 CBADMP CC[NH+]1CCN(C(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000163369623 351981613 /nfs/dbraw/zinc/98/16/13/351981613.db2.gz NOOOOQLZFYPBNZ-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000165307044 351985540 /nfs/dbraw/zinc/98/55/40/351985540.db2.gz ZXORAMQNJOMHEA-UHFFFAOYSA-N 2 1 287.404 -0.161 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000167213686 351988382 /nfs/dbraw/zinc/98/83/82/351988382.db2.gz FPJYWWGGMQLOMN-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000168939760 351995212 /nfs/dbraw/zinc/99/52/12/351995212.db2.gz RCTMLYYVXFODFL-STQMWFEESA-N 2 1 285.388 -0.408 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@@H]2CSC[NH2+]2)CCOCC1 ZINC000168728122 351995481 /nfs/dbraw/zinc/99/54/81/351995481.db2.gz BETUGSMKSDTQAQ-JTQLQIEISA-N 2 1 273.402 -0.124 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@H]2CSC[NH2+]2)CCOCC1 ZINC000168728214 351995555 /nfs/dbraw/zinc/99/55/55/351995555.db2.gz BETUGSMKSDTQAQ-SNVBAGLBSA-N 2 1 273.402 -0.124 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186720902 352131415 /nfs/dbraw/zinc/13/14/15/352131415.db2.gz AQDDGZOBFFJYJL-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1COCC[NH2+]1 ZINC000178707179 352081759 /nfs/dbraw/zinc/08/17/59/352081759.db2.gz IQVOLVYEVGOCFP-ZDUSSCGKSA-N 2 1 267.373 -0.035 20 0 CBADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000178849542 352084547 /nfs/dbraw/zinc/08/45/47/352084547.db2.gz ZGNBNTRXAVOMGB-CQSZACIVSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000179856188 352093006 /nfs/dbraw/zinc/09/30/06/352093006.db2.gz NAYDRVBREFWGTH-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP Cn1cc([C@H]2C[NH2+]CCN2C(=O)[C@H]2CCC[NH2+]C2)cn1 ZINC000181391069 352099201 /nfs/dbraw/zinc/09/92/01/352099201.db2.gz NXRHXZBZQUSNHM-WCQYABFASA-N 2 1 277.372 -0.107 20 0 CBADMP OC[C@@H]1CCC[N@@H+](CC(O)CN2CCC[C@H](CO)C2)C1 ZINC000181774562 352101083 /nfs/dbraw/zinc/10/10/83/352101083.db2.gz CUORCZQUUMYSNR-YIONKMFJSA-N 2 1 286.416 -0.244 20 0 CBADMP OC[C@@H]1CCC[N@H+](CC(O)CN2CCC[C@H](CO)C2)C1 ZINC000181774562 352101085 /nfs/dbraw/zinc/10/10/85/352101085.db2.gz CUORCZQUUMYSNR-YIONKMFJSA-N 2 1 286.416 -0.244 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000188762073 352158493 /nfs/dbraw/zinc/15/84/93/352158493.db2.gz IOSVQMXWAGRGCX-MROQNXINSA-N 2 1 287.379 -0.010 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000188762073 352158495 /nfs/dbraw/zinc/15/84/95/352158495.db2.gz IOSVQMXWAGRGCX-MROQNXINSA-N 2 1 287.379 -0.010 20 0 CBADMP C[NH+](C)CCN1C[C@@H](C(=O)NCC(F)(F)C[NH3+])CC1=O ZINC000190255799 352178929 /nfs/dbraw/zinc/17/89/29/352178929.db2.gz RCTPULHWSMGEKS-VIFPVBQESA-N 2 1 292.330 -0.893 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000219037531 352236703 /nfs/dbraw/zinc/23/67/03/352236703.db2.gz GGZIFNSWEUSEJZ-PWSUYJOCSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000219037531 352236704 /nfs/dbraw/zinc/23/67/04/352236704.db2.gz GGZIFNSWEUSEJZ-PWSUYJOCSA-N 2 1 270.377 -0.752 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C1CCCC1 ZINC000221672566 352240665 /nfs/dbraw/zinc/24/06/65/352240665.db2.gz KFZMHIFNSOASKG-NEPJUHHUSA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CCCC1 ZINC000221672621 352240874 /nfs/dbraw/zinc/24/08/74/352240874.db2.gz KFZMHIFNSOASKG-VXGBXAGGSA-N 2 1 255.362 -0.300 20 0 CBADMP CN1CC[C@H]([N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000227186943 352255666 /nfs/dbraw/zinc/25/56/66/352255666.db2.gz GBKRXNILBLYZMU-MNOVXSKESA-N 2 1 268.361 -0.996 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000227374101 352257463 /nfs/dbraw/zinc/25/74/63/352257463.db2.gz NHRWJBWLWUZBIU-OLZOCXBDSA-N 2 1 287.404 -0.177 20 0 CBADMP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000225525094 352248116 /nfs/dbraw/zinc/24/81/16/352248116.db2.gz FUUOQJCWWUHUNX-IJLUTSLNSA-N 2 1 253.346 -0.594 20 0 CBADMP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000225525094 352248120 /nfs/dbraw/zinc/24/81/20/352248120.db2.gz FUUOQJCWWUHUNX-IJLUTSLNSA-N 2 1 253.346 -0.594 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000226397966 352252082 /nfs/dbraw/zinc/25/20/82/352252082.db2.gz PTTQQPIGXTWLAT-GFCCVEGCSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C1(C[NH3+])CCOCC1 ZINC000235446494 352287377 /nfs/dbraw/zinc/28/73/77/352287377.db2.gz LBLHGJQBDYHRMM-LLVKDONJSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C1(C[NH3+])CCOCC1 ZINC000235446494 352287382 /nfs/dbraw/zinc/28/73/82/352287382.db2.gz LBLHGJQBDYHRMM-LLVKDONJSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)COC1CC[NH2+]CC1 ZINC000235717874 352287850 /nfs/dbraw/zinc/28/78/50/352287850.db2.gz KQEXEGFFEBYBLN-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)COC1CC[NH2+]CC1 ZINC000235717874 352287851 /nfs/dbraw/zinc/28/78/51/352287851.db2.gz KQEXEGFFEBYBLN-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000245418312 352319405 /nfs/dbraw/zinc/31/94/05/352319405.db2.gz AUEIUUCXGSWFIE-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000236776924 352293158 /nfs/dbraw/zinc/29/31/58/352293158.db2.gz SDUOHRCHHMUXTG-NSHDSACASA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]C)CC2)C1 ZINC000236897693 352295665 /nfs/dbraw/zinc/29/56/65/352295665.db2.gz KEQSERGQDBBQJG-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]C)CC2)C1 ZINC000236897693 352295670 /nfs/dbraw/zinc/29/56/70/352295670.db2.gz KEQSERGQDBBQJG-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000237156945 352300701 /nfs/dbraw/zinc/30/07/01/352300701.db2.gz JYKHSHQWHXPJHT-AWEZNQCLSA-N 2 1 282.432 -0.014 20 0 CBADMP COCC[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000237196713 352301362 /nfs/dbraw/zinc/30/13/62/352301362.db2.gz VTRVTHTXSZQJPH-ZDUSSCGKSA-N 2 1 287.404 -0.305 20 0 CBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000237449795 352305065 /nfs/dbraw/zinc/30/50/65/352305065.db2.gz JOZAUNRZPGKWFO-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000237540345 352307272 /nfs/dbraw/zinc/30/72/72/352307272.db2.gz WGMVCOMLDUOPCI-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000237570964 352307306 /nfs/dbraw/zinc/30/73/06/352307306.db2.gz OSUSZTKHKGJZNH-STQMWFEESA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@H](O)CN1CCN(CC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000245693691 352324348 /nfs/dbraw/zinc/32/43/48/352324348.db2.gz WOQZUIUASVIIPT-KGLIPLIRSA-N 2 1 298.431 -0.853 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000246302238 352331813 /nfs/dbraw/zinc/33/18/13/352331813.db2.gz OAMZYISDLZVZPQ-SDDRHHMPSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000246302238 352331814 /nfs/dbraw/zinc/33/18/14/352331814.db2.gz OAMZYISDLZVZPQ-SDDRHHMPSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1n1ccnc1 ZINC000246809304 352338101 /nfs/dbraw/zinc/33/81/01/352338101.db2.gz AAEXLIZWSTUHPR-VHSXEESVSA-N 2 1 265.317 -0.039 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC000247450858 352346950 /nfs/dbraw/zinc/34/69/50/352346950.db2.gz ZJMRXPFHVWYDTP-SRVKXCTJSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC000247450865 352347356 /nfs/dbraw/zinc/34/73/56/352347356.db2.gz ZJMRXPFHVWYDTP-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000248994287 352360190 /nfs/dbraw/zinc/36/01/90/352360190.db2.gz JWPURCLWOQUJBH-FIQHERPVSA-N 2 1 273.352 -0.400 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000248994287 352360192 /nfs/dbraw/zinc/36/01/92/352360192.db2.gz JWPURCLWOQUJBH-FIQHERPVSA-N 2 1 273.352 -0.400 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000250560137 352373361 /nfs/dbraw/zinc/37/33/61/352373361.db2.gz CFVZETPYOWQZAN-GRYCIOLGSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[C@@H]1C[N@@H+](CCC(=O)NC(=O)NC)CC[C@H]1[NH3+] ZINC000251881983 352376554 /nfs/dbraw/zinc/37/65/54/352376554.db2.gz VGMDWMVLHGDFNZ-NXEZZACHSA-N 2 1 256.350 -0.109 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(C)CC2)CC[C@H]1O ZINC000251954345 352376589 /nfs/dbraw/zinc/37/65/89/352376589.db2.gz YKNAZYMWSBGJRJ-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000252580373 352378125 /nfs/dbraw/zinc/37/81/25/352378125.db2.gz QBFASUNBUKHKGP-GRYCIOLGSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH2+]CCCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252556268 352378165 /nfs/dbraw/zinc/37/81/65/352378165.db2.gz STQPLQXNOYTTFU-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539410 352378231 /nfs/dbraw/zinc/37/82/31/352378231.db2.gz BNXRJKWPXBCNNV-TUAOUCFPSA-N 2 1 255.362 -0.051 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252644486 352378251 /nfs/dbraw/zinc/37/82/51/352378251.db2.gz ORVOPKSZSDOTDX-SDDRHHMPSA-N 2 1 255.362 -0.179 20 0 CBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252858104 352380842 /nfs/dbraw/zinc/38/08/42/352380842.db2.gz LRIIRHYWEBACQO-GARJFASQSA-N 2 1 268.361 -0.109 20 0 CBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252858104 352380845 /nfs/dbraw/zinc/38/08/45/352380845.db2.gz LRIIRHYWEBACQO-GARJFASQSA-N 2 1 268.361 -0.109 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CN1CC[NH2+]CC1 ZINC000258677039 352386735 /nfs/dbraw/zinc/38/67/35/352386735.db2.gz KGVBEMBSRPMGNB-CYBMUJFWSA-N 2 1 268.405 -0.308 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261568809 352387948 /nfs/dbraw/zinc/38/79/48/352387948.db2.gz JKWSGOKNENUZKY-VHSXEESVSA-N 2 1 254.334 -0.484 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261568809 352387950 /nfs/dbraw/zinc/38/79/50/352387950.db2.gz JKWSGOKNENUZKY-VHSXEESVSA-N 2 1 254.334 -0.484 20 0 CBADMP COC[C@]1(C(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH2+]C1 ZINC000261578423 352389279 /nfs/dbraw/zinc/38/92/79/352389279.db2.gz OYQGWQSQMGHTOE-AAEUAGOBSA-N 2 1 255.362 -0.177 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261592105 352389698 /nfs/dbraw/zinc/38/96/98/352389698.db2.gz YFLHFYQTLLHWNG-LBPRGKRZSA-N 2 1 254.334 -0.483 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000261594166 352390894 /nfs/dbraw/zinc/39/08/94/352390894.db2.gz ZQHYDFSTUDGUPY-LLVKDONJSA-N 2 1 252.318 -0.314 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261668634 352392998 /nfs/dbraw/zinc/39/29/98/352392998.db2.gz ABXPLPQPVHTAHL-UPJWGTAASA-N 2 1 285.388 -0.280 20 0 CBADMP CC1(C)NC(=O)N(CC[N@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000261667637 352393284 /nfs/dbraw/zinc/39/32/84/352393284.db2.gz ZTXKGTMHKWCEFE-CYBMUJFWSA-N 2 1 268.361 -0.013 20 0 CBADMP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000261667637 352393287 /nfs/dbraw/zinc/39/32/87/352393287.db2.gz ZTXKGTMHKWCEFE-CYBMUJFWSA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC2=[NH+]CCCN2)CC1 ZINC000261741985 352395781 /nfs/dbraw/zinc/39/57/81/352395781.db2.gz IMHLYXGLFGMSMB-UHFFFAOYSA-N 2 1 253.350 -0.911 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261789480 352396611 /nfs/dbraw/zinc/39/66/11/352396611.db2.gz UTTFZSXSXCYDRO-SWLSCSKDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261789480 352396614 /nfs/dbraw/zinc/39/66/14/352396614.db2.gz UTTFZSXSXCYDRO-SWLSCSKDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261781626 352396854 /nfs/dbraw/zinc/39/68/54/352396854.db2.gz BHTFLJBZEOPMMH-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C)CC2)[C@H]1CO ZINC000248935366 352358379 /nfs/dbraw/zinc/35/83/79/352358379.db2.gz NCKSLHSWKAJBSL-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CNC(=O)C[NH3+])C1 ZINC000262180515 352409093 /nfs/dbraw/zinc/40/90/93/352409093.db2.gz RWNITYZDQHMXDF-LBPRGKRZSA-N 2 1 284.404 -0.310 20 0 CBADMP O=C(CC[N@@H+]1CCSC[C@H]1CCO)N1CC[NH2+]CC1 ZINC000262205499 352409989 /nfs/dbraw/zinc/40/99/89/352409989.db2.gz SQLUDJCWURKYBE-GFCCVEGCSA-N 2 1 287.429 -0.392 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262313937 352415491 /nfs/dbraw/zinc/41/54/91/352415491.db2.gz BTHMZXBSOPMGRE-GRYCIOLGSA-N 2 1 255.362 -0.443 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000263268624 352441496 /nfs/dbraw/zinc/44/14/96/352441496.db2.gz WDQFGHDHVYPUBS-JSGCOSHPSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@H]1C ZINC000262338445 352417226 /nfs/dbraw/zinc/41/72/26/352417226.db2.gz HPXVUYOPFMJLFH-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[N@@H+]1CCOC ZINC000262342599 352417266 /nfs/dbraw/zinc/41/72/66/352417266.db2.gz GIFJVUQPPXMUKY-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[N@H+]1CCOC ZINC000262342599 352417269 /nfs/dbraw/zinc/41/72/69/352417269.db2.gz GIFJVUQPPXMUKY-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000262367726 352419050 /nfs/dbraw/zinc/41/90/50/352419050.db2.gz LGQXAQBOIDTFTO-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262490216 352423613 /nfs/dbraw/zinc/42/36/13/352423613.db2.gz ZFSUNTGFOHOBJT-SDDRHHMPSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000262549149 352425141 /nfs/dbraw/zinc/42/51/41/352425141.db2.gz SRVPZLWWEVTWGY-XQHKEYJVSA-N 2 1 285.388 -0.675 20 0 CBADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262666648 352430316 /nfs/dbraw/zinc/43/03/16/352430316.db2.gz KFOKUUVXBBCRJN-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)C1 ZINC000262727263 352431514 /nfs/dbraw/zinc/43/15/14/352431514.db2.gz AOUGLOOYUAXCLK-SRVKXCTJSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)C1 ZINC000262727263 352431515 /nfs/dbraw/zinc/43/15/15/352431515.db2.gz AOUGLOOYUAXCLK-SRVKXCTJSA-N 2 1 255.362 -0.084 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000262893903 352435781 /nfs/dbraw/zinc/43/57/81/352435781.db2.gz OVXPVWQAHQIBBX-OLZOCXBDSA-N 2 1 287.404 -0.177 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC000262039917 352404286 /nfs/dbraw/zinc/40/42/86/352404286.db2.gz HOKKVNFRGWJAKW-BFHYXJOUSA-N 3 1 280.416 -0.133 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)N3CCNCC3)C[C@H]21 ZINC000262039917 352404287 /nfs/dbraw/zinc/40/42/87/352404287.db2.gz HOKKVNFRGWJAKW-BFHYXJOUSA-N 2 1 280.416 -0.133 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)N3CCNCC3)C[C@H]21 ZINC000262039917 352404288 /nfs/dbraw/zinc/40/42/88/352404288.db2.gz HOKKVNFRGWJAKW-BFHYXJOUSA-N 2 1 280.416 -0.133 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000268690088 352456892 /nfs/dbraw/zinc/45/68/92/352456892.db2.gz RQVCWABGHUJOEF-AATRIKPKSA-N 2 1 296.415 -0.273 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)c1cccc(F)c1 ZINC000269727806 352480808 /nfs/dbraw/zinc/48/08/08/352480808.db2.gz RMJCOYXWAKHCOQ-VXGBXAGGSA-N 2 1 296.346 -0.253 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000283711705 352629146 /nfs/dbraw/zinc/62/91/46/352629146.db2.gz JPNYYJQCXZCUMU-UHFFFAOYSA-N 2 1 295.387 -0.234 20 0 CBADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443130 352676065 /nfs/dbraw/zinc/67/60/65/352676065.db2.gz LWPUVFXJPYMWRB-WCQYABFASA-N 2 1 294.399 -0.144 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443130 352676070 /nfs/dbraw/zinc/67/60/70/352676070.db2.gz LWPUVFXJPYMWRB-WCQYABFASA-N 2 1 294.399 -0.144 20 0 CBADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443130 352676073 /nfs/dbraw/zinc/67/60/73/352676073.db2.gz LWPUVFXJPYMWRB-WCQYABFASA-N 2 1 294.399 -0.144 20 0 CBADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443130 352676076 /nfs/dbraw/zinc/67/60/76/352676076.db2.gz LWPUVFXJPYMWRB-WCQYABFASA-N 2 1 294.399 -0.144 20 0 CBADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CN2CCOCC2)C1 ZINC000304696414 352747813 /nfs/dbraw/zinc/74/78/13/352747813.db2.gz ILGBXVFLTITEKK-GJZGRUSLSA-N 2 1 285.432 -0.047 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CN2CCOCC2)C1 ZINC000304696414 352747815 /nfs/dbraw/zinc/74/78/15/352747815.db2.gz ILGBXVFLTITEKK-GJZGRUSLSA-N 2 1 285.432 -0.047 20 0 CBADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000304696414 352747818 /nfs/dbraw/zinc/74/78/18/352747818.db2.gz ILGBXVFLTITEKK-GJZGRUSLSA-N 2 1 285.432 -0.047 20 0 CBADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000304696414 352747821 /nfs/dbraw/zinc/74/78/21/352747821.db2.gz ILGBXVFLTITEKK-GJZGRUSLSA-N 2 1 285.432 -0.047 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1COCC1(C)C ZINC000313025519 352776955 /nfs/dbraw/zinc/77/69/55/352776955.db2.gz HKTDBAOOJWTKBH-VXGBXAGGSA-N 2 1 260.378 -0.060 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1COCC1(C)C ZINC000313025519 352776957 /nfs/dbraw/zinc/77/69/57/352776957.db2.gz HKTDBAOOJWTKBH-VXGBXAGGSA-N 2 1 260.378 -0.060 20 0 CBADMP COC[C@@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH2+]C1 ZINC000311767611 352770348 /nfs/dbraw/zinc/77/03/48/352770348.db2.gz VQPLVQPZDAGIBF-BXUZGUMPSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[NH2+]Cc1cn(C[C@H](O)C[N@@H+](C)CCOC)nn1 ZINC000311692255 352770411 /nfs/dbraw/zinc/77/04/11/352770411.db2.gz KNSKCSPTZSOCDF-GFCCVEGCSA-N 2 1 271.365 -0.673 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000311872620 352771271 /nfs/dbraw/zinc/77/12/71/352771271.db2.gz ZLLKCSYVKGAVCR-UHFFFAOYSA-N 2 1 273.377 -0.597 20 0 CBADMP C[N@@H+](C[C@H](O)Cn1cc(C[NH2+]C2CC2)nn1)C1CC1 ZINC000312101711 352772775 /nfs/dbraw/zinc/77/27/75/352772775.db2.gz HXXBJUZJOVJQCF-ZDUSSCGKSA-N 2 1 265.361 -0.015 20 0 CBADMP CC[N@@H+](CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000311997960 352773205 /nfs/dbraw/zinc/77/32/05/352773205.db2.gz PQEYYYOUSKFHIH-GFCCVEGCSA-N 2 1 291.417 -0.622 20 0 CBADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCC[C@@H]1O ZINC000328532911 352783922 /nfs/dbraw/zinc/78/39/22/352783922.db2.gz YPNMXLDKPBQFCD-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)C(=O)N(C)C ZINC000330501963 352835435 /nfs/dbraw/zinc/83/54/35/352835435.db2.gz AYPTXJLUJCXBEM-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@@H](C)C[NH2+]1 ZINC000331377066 352910449 /nfs/dbraw/zinc/91/04/49/352910449.db2.gz HHKONHFRLXFXMR-GRYCIOLGSA-N 2 1 294.399 -0.452 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000331462661 352916922 /nfs/dbraw/zinc/91/69/22/352916922.db2.gz NDLCACAFTVBJCF-GFCCVEGCSA-N 2 1 282.388 -0.511 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000331492915 352919039 /nfs/dbraw/zinc/91/90/39/352919039.db2.gz RIVOYCOLZHSGDG-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)NC(N)=O)C2)C1 ZINC000331523548 352921431 /nfs/dbraw/zinc/92/14/31/352921431.db2.gz CPZHQAHVYYNYFG-ZDUSSCGKSA-N 2 1 268.361 -0.011 20 0 CBADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)NC(N)=O)C2)C1 ZINC000331523548 352921434 /nfs/dbraw/zinc/92/14/34/352921434.db2.gz CPZHQAHVYYNYFG-ZDUSSCGKSA-N 2 1 268.361 -0.011 20 0 CBADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)NC(N)=O)C2)C1 ZINC000331523548 352921436 /nfs/dbraw/zinc/92/14/36/352921436.db2.gz CPZHQAHVYYNYFG-ZDUSSCGKSA-N 2 1 268.361 -0.011 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000331582734 352925861 /nfs/dbraw/zinc/92/58/61/352925861.db2.gz IFJGCTSEFJBXDZ-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000331725601 352927630 /nfs/dbraw/zinc/92/76/30/352927630.db2.gz XBHPEQHQRJACIV-UPJWGTAASA-N 2 1 294.399 -0.402 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332620041 352970926 /nfs/dbraw/zinc/97/09/26/352970926.db2.gz TYUYAQRXEJTZLR-JHJVBQTASA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000332638950 352971742 /nfs/dbraw/zinc/97/17/42/352971742.db2.gz KYLZXTYENVFJSF-STQMWFEESA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332667011 352973495 /nfs/dbraw/zinc/97/34/95/352973495.db2.gz AJRSNFKAKJISOC-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332667011 352973497 /nfs/dbraw/zinc/97/34/97/352973497.db2.gz AJRSNFKAKJISOC-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332664700 352973816 /nfs/dbraw/zinc/97/38/16/352973816.db2.gz XUWSSCXLJISSHB-VXGBXAGGSA-N 2 1 280.372 -0.887 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332731121 352980963 /nfs/dbraw/zinc/98/09/63/352980963.db2.gz RNVSDPVTPAUFJQ-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332731121 352980969 /nfs/dbraw/zinc/98/09/69/352980969.db2.gz RNVSDPVTPAUFJQ-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332731128 352981165 /nfs/dbraw/zinc/98/11/65/352981165.db2.gz RNVSDPVTPAUFJQ-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332731128 352981169 /nfs/dbraw/zinc/98/11/69/352981169.db2.gz RNVSDPVTPAUFJQ-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000332192112 352939290 /nfs/dbraw/zinc/93/92/90/352939290.db2.gz BAZGVWYZZPZZPD-NEPJUHHUSA-N 2 1 280.372 -0.887 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000332247878 352940961 /nfs/dbraw/zinc/94/09/61/352940961.db2.gz AZYYSTDPVNIRRO-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000332549182 352965056 /nfs/dbraw/zinc/96/50/56/352965056.db2.gz IKBBWAFGCNSWNR-UPJWGTAASA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332570440 352967201 /nfs/dbraw/zinc/96/72/01/352967201.db2.gz CMFFHOOEMIJCTE-AVGNSLFASA-N 2 1 294.399 -0.450 20 0 CBADMP O=C(NCCN1CC[NH2+]CC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000333940034 353014698 /nfs/dbraw/zinc/01/46/98/353014698.db2.gz NSXATRBPVQTAHZ-KBPBESRZSA-N 2 1 295.431 -0.182 20 0 CBADMP CC1(C)CN(C(=O)NCC(F)(F)C[NH3+])CC[NH2+]1 ZINC000335421766 353033135 /nfs/dbraw/zinc/03/31/35/353033135.db2.gz MDFXKYZYMQDDQQ-UHFFFAOYSA-N 2 1 250.293 -0.026 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000333424639 353001676 /nfs/dbraw/zinc/00/16/76/353001676.db2.gz SZVDJJCYLWXILA-KGYLQXTDSA-N 2 1 282.388 -0.162 20 0 CBADMP O=C(NCCN1CC[NH2+]CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000333782552 353011004 /nfs/dbraw/zinc/01/10/04/353011004.db2.gz DXUWFWVIOGTFGS-CQSZACIVSA-N 2 1 295.431 -0.229 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333839121 353012004 /nfs/dbraw/zinc/01/20/04/353012004.db2.gz NXENZDATJAVUTJ-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP CN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1C[NH2+]C[C@@H]1O ZINC000333904435 353013741 /nfs/dbraw/zinc/01/37/41/353013741.db2.gz CGWSKOVXLTUKDX-NDBYEHHHSA-N 2 1 282.388 -0.413 20 0 CBADMP C[N@@H+]1CC[C@]2(CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC000336817479 353059110 /nfs/dbraw/zinc/05/91/10/353059110.db2.gz QMTMXBUYWSCLQD-ZDUSSCGKSA-N 2 1 266.345 -0.434 20 0 CBADMP C[N@H+]1CC[C@]2(CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC000336817479 353059113 /nfs/dbraw/zinc/05/91/13/353059113.db2.gz QMTMXBUYWSCLQD-ZDUSSCGKSA-N 2 1 266.345 -0.434 20 0 CBADMP C[NH+]1CC[C@]2(CC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC000336817479 353059117 /nfs/dbraw/zinc/05/91/17/353059117.db2.gz QMTMXBUYWSCLQD-ZDUSSCGKSA-N 2 1 266.345 -0.434 20 0 CBADMP C[NH+]1CC[C@]2(CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC000336817479 353059118 /nfs/dbraw/zinc/05/91/18/353059118.db2.gz QMTMXBUYWSCLQD-ZDUSSCGKSA-N 2 1 266.345 -0.434 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@H]1CCC[NH+](C)C1 ZINC000336823714 353059989 /nfs/dbraw/zinc/05/99/89/353059989.db2.gz QXXVECNOCQFJCV-GJZGRUSLSA-N 2 1 285.432 -0.047 20 0 CBADMP C[NH+](C[C@H](O)CN1CCOCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000336823714 353059990 /nfs/dbraw/zinc/05/99/90/353059990.db2.gz QXXVECNOCQFJCV-GJZGRUSLSA-N 2 1 285.432 -0.047 20 0 CBADMP C[NH+](C[C@H](O)CN1CCOCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336823714 353059993 /nfs/dbraw/zinc/05/99/93/353059993.db2.gz QXXVECNOCQFJCV-GJZGRUSLSA-N 2 1 285.432 -0.047 20 0 CBADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC000336833627 353061837 /nfs/dbraw/zinc/06/18/37/353061837.db2.gz OWNOXFDPHWVDJD-HUUCEWRRSA-N 2 1 283.416 -0.293 20 0 CBADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC000336833627 353061840 /nfs/dbraw/zinc/06/18/40/353061840.db2.gz OWNOXFDPHWVDJD-HUUCEWRRSA-N 2 1 283.416 -0.293 20 0 CBADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC000336833627 353061843 /nfs/dbraw/zinc/06/18/43/353061843.db2.gz OWNOXFDPHWVDJD-HUUCEWRRSA-N 2 1 283.416 -0.293 20 0 CBADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC000336833629 353062078 /nfs/dbraw/zinc/06/20/78/353062078.db2.gz OWNOXFDPHWVDJD-LSDHHAIUSA-N 2 1 283.416 -0.293 20 0 CBADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC000336833629 353062081 /nfs/dbraw/zinc/06/20/81/353062081.db2.gz OWNOXFDPHWVDJD-LSDHHAIUSA-N 2 1 283.416 -0.293 20 0 CBADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC000336833629 353062084 /nfs/dbraw/zinc/06/20/84/353062084.db2.gz OWNOXFDPHWVDJD-LSDHHAIUSA-N 2 1 283.416 -0.293 20 0 CBADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC000336833624 353062371 /nfs/dbraw/zinc/06/23/71/353062371.db2.gz OWNOXFDPHWVDJD-CABCVRRESA-N 2 1 283.416 -0.293 20 0 CBADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC000336833624 353062373 /nfs/dbraw/zinc/06/23/73/353062373.db2.gz OWNOXFDPHWVDJD-CABCVRRESA-N 2 1 283.416 -0.293 20 0 CBADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC000336833624 353062375 /nfs/dbraw/zinc/06/23/75/353062375.db2.gz OWNOXFDPHWVDJD-CABCVRRESA-N 2 1 283.416 -0.293 20 0 CBADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336791264 353053084 /nfs/dbraw/zinc/05/30/84/353053084.db2.gz MYCAENDQWPEMDR-LBPRGKRZSA-N 2 1 252.318 -0.496 20 0 CBADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336791264 353053086 /nfs/dbraw/zinc/05/30/86/353053086.db2.gz MYCAENDQWPEMDR-LBPRGKRZSA-N 2 1 252.318 -0.496 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000338231974 353090144 /nfs/dbraw/zinc/09/01/44/353090144.db2.gz CTBWZTCHICFGAN-GFCCVEGCSA-N 2 1 255.362 -0.393 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000338231974 353090147 /nfs/dbraw/zinc/09/01/47/353090147.db2.gz CTBWZTCHICFGAN-GFCCVEGCSA-N 2 1 255.362 -0.393 20 0 CBADMP CNC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338239980 353091048 /nfs/dbraw/zinc/09/10/48/353091048.db2.gz SLRJODSWWCNBGV-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CNC(=O)[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338239980 353091051 /nfs/dbraw/zinc/09/10/51/353091051.db2.gz SLRJODSWWCNBGV-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338236992 353091166 /nfs/dbraw/zinc/09/11/66/353091166.db2.gz QJAIQESTWUAEKE-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338236992 353091167 /nfs/dbraw/zinc/09/11/67/353091167.db2.gz QJAIQESTWUAEKE-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000338265059 353091905 /nfs/dbraw/zinc/09/19/05/353091905.db2.gz UIYQQYLICAJDIX-GFCCVEGCSA-N 2 1 282.388 -0.510 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000338265059 353091906 /nfs/dbraw/zinc/09/19/06/353091906.db2.gz UIYQQYLICAJDIX-GFCCVEGCSA-N 2 1 282.388 -0.510 20 0 CBADMP COC[C@](C)(CCO)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338272770 353092473 /nfs/dbraw/zinc/09/24/73/353092473.db2.gz GIUKUFMKXQUKRR-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@H](O)[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338293366 353093509 /nfs/dbraw/zinc/09/35/09/353093509.db2.gz YBXABIRLFZTIFA-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](O)[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338293366 353093511 /nfs/dbraw/zinc/09/35/11/353093511.db2.gz YBXABIRLFZTIFA-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000338287096 353093704 /nfs/dbraw/zinc/09/37/04/353093704.db2.gz WQYSPMOHPIECBL-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000338287096 353093706 /nfs/dbraw/zinc/09/37/06/353093706.db2.gz WQYSPMOHPIECBL-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](OCCO)C2)CC1 ZINC000338309129 353094573 /nfs/dbraw/zinc/09/45/73/353094573.db2.gz TZJVAEGZCTVLPK-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](OCCO)C2)CC1 ZINC000338309129 353094576 /nfs/dbraw/zinc/09/45/76/353094576.db2.gz TZJVAEGZCTVLPK-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCN1CCOCC1 ZINC000338299907 353094606 /nfs/dbraw/zinc/09/46/06/353094606.db2.gz CCDOEIMYIFTWSZ-UHFFFAOYSA-N 2 1 298.431 -0.586 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCN1CCOCC1 ZINC000338299907 353094607 /nfs/dbraw/zinc/09/46/07/353094607.db2.gz CCDOEIMYIFTWSZ-UHFFFAOYSA-N 2 1 298.431 -0.586 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000338322470 353095020 /nfs/dbraw/zinc/09/50/20/353095020.db2.gz WNABKYJRJMNZQP-CYBMUJFWSA-N 2 1 296.415 -0.262 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000338322470 353095021 /nfs/dbraw/zinc/09/50/21/353095021.db2.gz WNABKYJRJMNZQP-CYBMUJFWSA-N 2 1 296.415 -0.262 20 0 CBADMP CC[C@]1(O)CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338325465 353096378 /nfs/dbraw/zinc/09/63/78/353096378.db2.gz XVUQUHWTQGJCJF-AWEZNQCLSA-N 2 1 269.389 -0.003 20 0 CBADMP CC[C@]1(O)CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338325465 353096379 /nfs/dbraw/zinc/09/63/79/353096379.db2.gz XVUQUHWTQGJCJF-AWEZNQCLSA-N 2 1 269.389 -0.003 20 0 CBADMP CC[C@@]1(O)CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338325466 353096409 /nfs/dbraw/zinc/09/64/09/353096409.db2.gz XVUQUHWTQGJCJF-CQSZACIVSA-N 2 1 269.389 -0.003 20 0 CBADMP CC[C@@]1(O)CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338325466 353096410 /nfs/dbraw/zinc/09/64/10/353096410.db2.gz XVUQUHWTQGJCJF-CQSZACIVSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CO)[C@@H]2CCCO2)CC1 ZINC000338342001 353096883 /nfs/dbraw/zinc/09/68/83/353096883.db2.gz DXQGQXIQEDVCHO-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000339631552 353135385 /nfs/dbraw/zinc/13/53/85/353135385.db2.gz LLWDSJHPJRHPJW-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000340117755 353151668 /nfs/dbraw/zinc/15/16/68/353151668.db2.gz DEDJDIFJMXZOHN-XQQFMLRXSA-N 2 1 296.415 -0.040 20 0 CBADMP C[C@H]([NH3+])CC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000340176967 353154698 /nfs/dbraw/zinc/15/46/98/353154698.db2.gz KDKNDPAKMNIBRX-VHSXEESVSA-N 2 1 256.350 -0.820 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H](C)[NH3+])CC1 ZINC000340184143 353154919 /nfs/dbraw/zinc/15/49/19/353154919.db2.gz PYUZXEACNXOTIP-RYUDHWBXSA-N 2 1 256.394 -0.277 20 0 CBADMP C[C@@H]([NH3+])CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000340185799 353156023 /nfs/dbraw/zinc/15/60/23/353156023.db2.gz PFWVVTDJLOILBX-GHMZBOCLSA-N 2 1 270.377 -0.573 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340483002 353172974 /nfs/dbraw/zinc/17/29/74/353172974.db2.gz ZWNGCGFNMBGNKK-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000340700262 353182589 /nfs/dbraw/zinc/18/25/89/353182589.db2.gz LJBBZETYGGJNFC-KBPBESRZSA-N 2 1 271.405 -0.389 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000341060459 353199378 /nfs/dbraw/zinc/19/93/78/353199378.db2.gz NWKGHCLNRSKCQO-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000341060459 353199380 /nfs/dbraw/zinc/19/93/80/353199380.db2.gz NWKGHCLNRSKCQO-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000341060459 353199382 /nfs/dbraw/zinc/19/93/82/353199382.db2.gz NWKGHCLNRSKCQO-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342105119 353218987 /nfs/dbraw/zinc/21/89/87/353218987.db2.gz NUISSJIJVXKRPW-TUAOUCFPSA-N 2 1 275.418 -0.015 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342105119 353218989 /nfs/dbraw/zinc/21/89/89/353218989.db2.gz NUISSJIJVXKRPW-TUAOUCFPSA-N 2 1 275.418 -0.015 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CCC(=O)OC)C1CC1 ZINC000342767009 353231763 /nfs/dbraw/zinc/23/17/63/353231763.db2.gz ZQDVKAPTYHUQCO-NSHDSACASA-N 2 1 271.361 -0.133 20 0 CBADMP CN(C)c1nc(N2CCN(C(=O)C3C[NH2+]C3)CC2)cc[nH+]1 ZINC000342146601 353220365 /nfs/dbraw/zinc/22/03/65/353220365.db2.gz TZRCNBHFGISPSX-UHFFFAOYSA-N 2 1 290.371 -0.589 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC[NH+](C)C ZINC000342665306 353226969 /nfs/dbraw/zinc/22/69/69/353226969.db2.gz LSAVOVJGGDLSPC-LLVKDONJSA-N 2 1 257.382 -0.907 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000342695882 353227852 /nfs/dbraw/zinc/22/78/52/353227852.db2.gz GLOPRDBWGOOILP-GHMZBOCLSA-N 2 1 271.361 -0.133 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000342695931 353228205 /nfs/dbraw/zinc/22/82/05/353228205.db2.gz GXMHMZMXYLDZHK-QWRGUYRKSA-N 2 1 287.360 -0.896 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000343130513 353255138 /nfs/dbraw/zinc/25/51/38/353255138.db2.gz PLLPQOBWAPIXFO-KGLIPLIRSA-N 2 1 282.432 -0.062 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343179485 353257962 /nfs/dbraw/zinc/25/79/62/353257962.db2.gz LAQNBLKOJONMQF-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343179485 353257964 /nfs/dbraw/zinc/25/79/64/353257964.db2.gz LAQNBLKOJONMQF-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343179485 353257967 /nfs/dbraw/zinc/25/79/67/353257967.db2.gz LAQNBLKOJONMQF-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP [NH3+]C[C@@H](NC(=O)[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000155600159 188215514 /nfs/dbraw/zinc/21/55/14/188215514.db2.gz VVLMWMQBXBRSRN-VXGBXAGGSA-N 2 1 255.362 -0.001 20 0 CBADMP C[C@H]1CC2(C[N@H+]1CCNS(C)(=O)=O)CC[NH2+]CC2 ZINC000331698118 290363774 /nfs/dbraw/zinc/36/37/74/290363774.db2.gz VEZMZOHHEDBWAG-NSHDSACASA-N 2 1 275.418 0.000 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343226935 353260841 /nfs/dbraw/zinc/26/08/41/353260841.db2.gz QDUYLTATXLPZFM-OLZOCXBDSA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343226935 353260842 /nfs/dbraw/zinc/26/08/42/353260842.db2.gz QDUYLTATXLPZFM-OLZOCXBDSA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343226935 353260844 /nfs/dbraw/zinc/26/08/44/353260844.db2.gz QDUYLTATXLPZFM-OLZOCXBDSA-N 2 1 266.389 -0.556 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343226937 353260928 /nfs/dbraw/zinc/26/09/28/353260928.db2.gz QDUYLTATXLPZFM-STQMWFEESA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343226937 353260929 /nfs/dbraw/zinc/26/09/29/353260929.db2.gz QDUYLTATXLPZFM-STQMWFEESA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343226937 353260933 /nfs/dbraw/zinc/26/09/33/353260933.db2.gz QDUYLTATXLPZFM-STQMWFEESA-N 2 1 266.389 -0.556 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343226934 353261324 /nfs/dbraw/zinc/26/13/24/353261324.db2.gz QDUYLTATXLPZFM-CHWSQXEVSA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343226934 353261328 /nfs/dbraw/zinc/26/13/28/353261328.db2.gz QDUYLTATXLPZFM-CHWSQXEVSA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343226934 353261332 /nfs/dbraw/zinc/26/13/32/353261332.db2.gz QDUYLTATXLPZFM-CHWSQXEVSA-N 2 1 266.389 -0.556 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+](C)C1CC1 ZINC000343245342 353261498 /nfs/dbraw/zinc/26/14/98/353261498.db2.gz CCEPONGOZFKMCZ-OCCSQVGLSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)[N@H+](C)C1CC1 ZINC000343245342 353261501 /nfs/dbraw/zinc/26/15/01/353261501.db2.gz CCEPONGOZFKMCZ-OCCSQVGLSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)[N@@H+](C)C1CC1 ZINC000343245342 353261503 /nfs/dbraw/zinc/26/15/03/353261503.db2.gz CCEPONGOZFKMCZ-OCCSQVGLSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)[NH+](C)C1CC1 ZINC000343245339 353261707 /nfs/dbraw/zinc/26/17/07/353261707.db2.gz CCEPONGOZFKMCZ-GXTWGEPZSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)[N@H+](C)C1CC1 ZINC000343245339 353261709 /nfs/dbraw/zinc/26/17/09/353261709.db2.gz CCEPONGOZFKMCZ-GXTWGEPZSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)[N@@H+](C)C1CC1 ZINC000343245339 353261711 /nfs/dbraw/zinc/26/17/11/353261711.db2.gz CCEPONGOZFKMCZ-GXTWGEPZSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)CC[N@H+]1C ZINC000343298060 353264754 /nfs/dbraw/zinc/26/47/54/353264754.db2.gz NHJPMSDFJBRVFE-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC[NH+]1C ZINC000343298060 353264757 /nfs/dbraw/zinc/26/47/57/353264757.db2.gz NHJPMSDFJBRVFE-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC[NH+]1C ZINC000343298060 353264759 /nfs/dbraw/zinc/26/47/59/353264759.db2.gz NHJPMSDFJBRVFE-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343312859 353266852 /nfs/dbraw/zinc/26/68/52/353266852.db2.gz QWAXRYVKHWKABN-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343326668 353267958 /nfs/dbraw/zinc/26/79/58/353267958.db2.gz YJJBNFDJYTYFSO-CHWSQXEVSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343326668 353267961 /nfs/dbraw/zinc/26/79/61/353267961.db2.gz YJJBNFDJYTYFSO-CHWSQXEVSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343326668 353267963 /nfs/dbraw/zinc/26/79/63/353267963.db2.gz YJJBNFDJYTYFSO-CHWSQXEVSA-N 2 1 266.389 -0.413 20 0 CBADMP CC[N@@H+](C)CCNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343766197 353290161 /nfs/dbraw/zinc/29/01/61/353290161.db2.gz DFJMLBVEFPDZOV-YOGCLGLASA-N 2 1 267.373 -0.131 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000156752406 188280067 /nfs/dbraw/zinc/28/00/67/188280067.db2.gz NOZYZSMMIIIDEG-RYUDHWBXSA-N 2 1 256.394 -0.277 20 0 CBADMP CCC[N@H+](C)CC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000346236672 353367263 /nfs/dbraw/zinc/36/72/63/353367263.db2.gz QFDHFBXYNVRIIP-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000346236672 353367267 /nfs/dbraw/zinc/36/72/67/353367267.db2.gz QFDHFBXYNVRIIP-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000345721981 353345739 /nfs/dbraw/zinc/34/57/39/353345739.db2.gz LLKIEQBTUOHYQH-VIFPVBQESA-N 2 1 292.330 -0.751 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000346536692 353382277 /nfs/dbraw/zinc/38/22/77/353382277.db2.gz TXOOOBMLRVRDBN-AAEUAGOBSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CC[N@H+]1C ZINC000347993779 353404108 /nfs/dbraw/zinc/40/41/08/353404108.db2.gz BTDPZLCLHXQGMZ-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000348991363 353442913 /nfs/dbraw/zinc/44/29/13/353442913.db2.gz GMXYIDWAVGPONI-LLVKDONJSA-N 2 1 271.361 -0.798 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCOCC[NH+](C)C)C1 ZINC000349727493 353462394 /nfs/dbraw/zinc/46/23/94/353462394.db2.gz RYLGXUBMKWSTMM-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCOCC[NH+](C)C)C1 ZINC000349727493 353462396 /nfs/dbraw/zinc/46/23/96/353462396.db2.gz RYLGXUBMKWSTMM-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)CC2)C1 ZINC000349929248 353467220 /nfs/dbraw/zinc/46/72/20/353467220.db2.gz ATOZJHGFHSKYFJ-LBPRGKRZSA-N 2 1 270.377 -0.336 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)CC2)C1 ZINC000349929248 353467223 /nfs/dbraw/zinc/46/72/23/353467223.db2.gz ATOZJHGFHSKYFJ-LBPRGKRZSA-N 2 1 270.377 -0.336 20 0 CBADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000350154975 353472785 /nfs/dbraw/zinc/47/27/85/353472785.db2.gz NCIWFHDNRFCZMD-LLVKDONJSA-N 2 1 286.376 -0.386 20 0 CBADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000350154975 353472787 /nfs/dbraw/zinc/47/27/87/353472787.db2.gz NCIWFHDNRFCZMD-LLVKDONJSA-N 2 1 286.376 -0.386 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000351560097 353476076 /nfs/dbraw/zinc/47/60/76/353476076.db2.gz WBWGTAAUUJRXPC-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000351560099 353476086 /nfs/dbraw/zinc/47/60/86/353476086.db2.gz WBWGTAAUUJRXPC-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]([NH3+])CC(N)=O)cc1 ZINC000353083027 353519948 /nfs/dbraw/zinc/51/99/48/353519948.db2.gz CUTDJXSNRIOWMP-GFCCVEGCSA-N 2 1 278.356 -0.433 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C[NH3+])OC ZINC000353436310 353532236 /nfs/dbraw/zinc/53/22/36/353532236.db2.gz XVIFLNBIVPDLSU-GHMZBOCLSA-N 2 1 259.350 -0.813 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000354095908 353543535 /nfs/dbraw/zinc/54/35/35/353543535.db2.gz BPZOQVJYZWGNEL-UHFFFAOYSA-N 2 1 296.415 -0.225 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354713196 353580323 /nfs/dbraw/zinc/58/03/23/353580323.db2.gz QJJQMZWVURYJJL-VXGBXAGGSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000355142126 353587800 /nfs/dbraw/zinc/58/78/00/353587800.db2.gz WCDDUTZCIQSKGL-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358504446 353648394 /nfs/dbraw/zinc/64/83/94/353648394.db2.gz ROESMUNFMNSARP-JQWIXIFHSA-N 2 1 258.366 -0.698 20 0 CBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000357932960 353615569 /nfs/dbraw/zinc/61/55/69/353615569.db2.gz XYTVHQZBFOMYNE-MJBXVCDLSA-N 2 1 281.400 -0.101 20 0 CBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000357932950 353615596 /nfs/dbraw/zinc/61/55/96/353615596.db2.gz XYTVHQZBFOMYNE-IHRRRGAJSA-N 2 1 281.400 -0.101 20 0 CBADMP C[N@@H+](CCCO)C1CCN([C@H]2COC[C@@H]2O)CC1 ZINC000361313721 353660866 /nfs/dbraw/zinc/66/08/66/353660866.db2.gz NYSFGLOLUDENSL-STQMWFEESA-N 2 1 258.362 -0.475 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)C1 ZINC000361710736 353663697 /nfs/dbraw/zinc/66/36/97/353663697.db2.gz LYIKCFLSELIPDW-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000361718163 353664400 /nfs/dbraw/zinc/66/44/00/353664400.db2.gz LWXVDGMDJZTSAC-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000362448772 353666699 /nfs/dbraw/zinc/66/66/99/353666699.db2.gz SHHKOBDHBUFJHK-KBPBESRZSA-N 2 1 282.432 -0.062 20 0 CBADMP O=C(CN1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCC1CC1 ZINC000362827049 353668511 /nfs/dbraw/zinc/66/85/11/353668511.db2.gz RGWSVGZFDMJTBS-ZDUSSCGKSA-N 2 1 294.399 -0.591 20 0 CBADMP O[C@H]1C[NH+](CCOCC[N@@H+]2C[C@H](O)C3(CC3)C2)CC12CC2 ZINC000368793612 353686898 /nfs/dbraw/zinc/68/68/98/353686898.db2.gz YHRWRJYJANWEPP-KBPBESRZSA-N 2 1 296.411 -0.084 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000370774479 353691586 /nfs/dbraw/zinc/69/15/86/353691586.db2.gz ROICQMRQQYKBCG-ADEWGFFLSA-N 2 1 253.346 -0.426 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372098602 353710685 /nfs/dbraw/zinc/71/06/85/353710685.db2.gz LSXKJABSBXUBMU-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+](C)CCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372366731 353715989 /nfs/dbraw/zinc/71/59/89/353715989.db2.gz CBTSXUVMBRSOAC-VXGBXAGGSA-N 2 1 270.377 -0.290 20 0 CBADMP CCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372399672 353716729 /nfs/dbraw/zinc/71/67/29/353716729.db2.gz RLOZMQLLTKUHGZ-UONOGXRCSA-N 2 1 298.431 -0.364 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000372435660 353716841 /nfs/dbraw/zinc/71/68/41/353716841.db2.gz FRDJOOODVQWJTO-SWLSCSKDSA-N 2 1 294.399 -0.734 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC(O)(C3CC3)C2)CC1 ZINC000372689561 353720960 /nfs/dbraw/zinc/72/09/60/353720960.db2.gz DWIKGKZOCGKZSA-LBPRGKRZSA-N 2 1 281.400 -0.004 20 0 CBADMP OC(CN1C[C@H](O)C2(CC2)C1)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000373180305 353727629 /nfs/dbraw/zinc/72/76/29/353727629.db2.gz OCIHQMQEBSQRSV-STQMWFEESA-N 2 1 282.384 -0.739 20 0 CBADMP OC(CN1C[C@@H](O)C2(CC2)C1)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000373180302 353727942 /nfs/dbraw/zinc/72/79/42/353727942.db2.gz OCIHQMQEBSQRSV-CHWSQXEVSA-N 2 1 282.384 -0.739 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCCNC1=O ZINC000374880468 353750206 /nfs/dbraw/zinc/75/02/06/353750206.db2.gz SODKKLSVIBVTEE-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCCNC1=O ZINC000374880468 353750208 /nfs/dbraw/zinc/75/02/08/353750208.db2.gz SODKKLSVIBVTEE-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H](O)COC(=O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000375627730 353765152 /nfs/dbraw/zinc/76/51/52/353765152.db2.gz KKYQIMXYSNEXOT-UTUOFQBUSA-N 2 1 256.346 -0.206 20 0 CBADMP C[C@@H](O)COC(=O)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000375627730 353765155 /nfs/dbraw/zinc/76/51/55/353765155.db2.gz KKYQIMXYSNEXOT-UTUOFQBUSA-N 2 1 256.346 -0.206 20 0 CBADMP C[C@@H](O)COC(=O)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000375627730 353765156 /nfs/dbraw/zinc/76/51/56/353765156.db2.gz KKYQIMXYSNEXOT-UTUOFQBUSA-N 2 1 256.346 -0.206 20 0 CBADMP C[C@@H](O)COC(=O)CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000375627730 353765159 /nfs/dbraw/zinc/76/51/59/353765159.db2.gz KKYQIMXYSNEXOT-UTUOFQBUSA-N 2 1 256.346 -0.206 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@H]3CCOC(=O)[C@H]32)CC1 ZINC000375888822 353768818 /nfs/dbraw/zinc/76/88/18/353768818.db2.gz IBNSBNOZCPOOEN-JSGCOSHPSA-N 2 1 295.383 -0.212 20 0 CBADMP CN1CCN(C(=O)CCN2CC[C@H]3CCOC(=O)[C@H]32)CC1 ZINC000375888822 353768819 /nfs/dbraw/zinc/76/88/19/353768819.db2.gz IBNSBNOZCPOOEN-JSGCOSHPSA-N 2 1 295.383 -0.212 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000375921808 353769677 /nfs/dbraw/zinc/76/96/77/353769677.db2.gz KQYYORPOJRCWBI-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000376254761 353773366 /nfs/dbraw/zinc/77/33/66/353773366.db2.gz SFXBORAVTZPFSJ-HBNTYKKESA-N 2 1 259.325 -0.477 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000377198686 353777810 /nfs/dbraw/zinc/77/78/10/353777810.db2.gz QSTOEYNNHUCFLB-OLZOCXBDSA-N 2 1 280.416 -0.119 20 0 CBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000377198686 353777814 /nfs/dbraw/zinc/77/78/14/353777814.db2.gz QSTOEYNNHUCFLB-OLZOCXBDSA-N 2 1 280.416 -0.119 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC000378201453 353780014 /nfs/dbraw/zinc/78/00/14/353780014.db2.gz DAMASJPHFPUNOE-KGLIPLIRSA-N 2 1 296.415 -0.787 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)CN1CCC(CC(N)=O)CC1 ZINC000380730506 353783106 /nfs/dbraw/zinc/78/31/06/353783106.db2.gz RVLQRVODLWBQSG-CYBMUJFWSA-N 2 1 287.404 -0.487 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC(CC(N)=O)CC1 ZINC000380730506 353783109 /nfs/dbraw/zinc/78/31/09/353783109.db2.gz RVLQRVODLWBQSG-CYBMUJFWSA-N 2 1 287.404 -0.487 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000374444334 353745499 /nfs/dbraw/zinc/74/54/99/353745499.db2.gz SVRMSPQHVSIIBK-STQMWFEESA-N 2 1 276.340 -0.457 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC[C@H](O)C[NH+](C)C1CC1 ZINC000388525285 353789611 /nfs/dbraw/zinc/78/96/11/353789611.db2.gz VMQJDUSPRGHYBQ-KGLIPLIRSA-N 2 1 270.421 -0.723 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000388525285 353789613 /nfs/dbraw/zinc/78/96/13/353789613.db2.gz VMQJDUSPRGHYBQ-KGLIPLIRSA-N 2 1 270.421 -0.723 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000388525285 353789618 /nfs/dbraw/zinc/78/96/18/353789618.db2.gz VMQJDUSPRGHYBQ-KGLIPLIRSA-N 2 1 270.421 -0.723 20 0 CBADMP CN(C)C(=O)CCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000390236936 353791273 /nfs/dbraw/zinc/79/12/73/353791273.db2.gz IXVRIMWIOCLRAG-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CN(C)C(=O)CCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000390236936 353791275 /nfs/dbraw/zinc/79/12/75/353791275.db2.gz IXVRIMWIOCLRAG-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CSCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394375496 353794529 /nfs/dbraw/zinc/79/45/29/353794529.db2.gz OAWBAWRAKPKJHH-NWDGAFQWSA-N 2 1 286.445 -0.427 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000410993824 353939369 /nfs/dbraw/zinc/93/93/69/353939369.db2.gz ZEHJRRRHHTUVLX-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)[C@@H](C)C[N@@H+]1CCO ZINC000416295676 353966995 /nfs/dbraw/zinc/96/69/95/353966995.db2.gz MVAILHIIZPGNCP-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)[C@@H](C)C[N@H+]1CCO ZINC000416295676 353967000 /nfs/dbraw/zinc/96/70/00/353967000.db2.gz MVAILHIIZPGNCP-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](C)C[NH+]1CCO ZINC000416295676 353967002 /nfs/dbraw/zinc/96/70/02/353967002.db2.gz MVAILHIIZPGNCP-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)[C@@H](C)C[NH+]1CCO ZINC000416295676 353967005 /nfs/dbraw/zinc/96/70/05/353967005.db2.gz MVAILHIIZPGNCP-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH+](C)C)CC2)C1 ZINC000416300450 353967791 /nfs/dbraw/zinc/96/77/91/353967791.db2.gz IZAHUXRDPQHAFH-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH+](C)C)CC2)C1 ZINC000416300450 353967793 /nfs/dbraw/zinc/96/77/93/353967793.db2.gz IZAHUXRDPQHAFH-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCC[NH3+])C1 ZINC000416869325 353973801 /nfs/dbraw/zinc/97/38/01/353973801.db2.gz NBIJSOQTGOQAKQ-GFCCVEGCSA-N 2 1 272.393 -0.009 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000416992560 353974718 /nfs/dbraw/zinc/97/47/18/353974718.db2.gz HTDZAEYCSZINBV-GFCCVEGCSA-N 2 1 299.419 -0.552 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CC[NH3+])CCO ZINC000417446626 353977236 /nfs/dbraw/zinc/97/72/36/353977236.db2.gz MMJRTZPHYYIHDF-LLVKDONJSA-N 2 1 260.382 -0.321 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000417443821 353977412 /nfs/dbraw/zinc/97/74/12/353977412.db2.gz AZZZUQNESUFRJH-NWDGAFQWSA-N 2 1 272.393 -0.057 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000417442541 353977719 /nfs/dbraw/zinc/97/77/19/353977719.db2.gz VAMXFOBKNDYTIY-VXGBXAGGSA-N 2 1 272.393 -0.044 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000418411174 353997191 /nfs/dbraw/zinc/99/71/91/353997191.db2.gz PZXSZYRBXNEPIH-NEPJUHHUSA-N 2 1 272.393 -0.322 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000418411174 353997193 /nfs/dbraw/zinc/99/71/93/353997193.db2.gz PZXSZYRBXNEPIH-NEPJUHHUSA-N 2 1 272.393 -0.322 20 0 CBADMP COCC[NH+]1CCN(C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000418394849 353997275 /nfs/dbraw/zinc/99/72/75/353997275.db2.gz BJIGXRZWUUNNAL-GFCCVEGCSA-N 2 1 272.393 -0.057 20 0 CBADMP COCC[NH2+]CCNC(=O)NCC[NH+]1CCSCC1 ZINC000417608212 353980193 /nfs/dbraw/zinc/98/01/93/353980193.db2.gz IHHLICFIJATAGN-UHFFFAOYSA-N 2 1 290.433 -0.430 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000417698947 353980659 /nfs/dbraw/zinc/98/06/59/353980659.db2.gz FJTARZOMMCDWDS-VXGBXAGGSA-N 2 1 270.377 -0.256 20 0 CBADMP C[C@H](CNC(=O)NC[C@H]([NH3+])C1CC1)C[NH+]1CCOCC1 ZINC000417707650 353980826 /nfs/dbraw/zinc/98/08/26/353980826.db2.gz AZPCITQYISVPRY-YPMHNXCESA-N 2 1 284.404 -0.009 20 0 CBADMP C[N@@H+](CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000417622919 353980976 /nfs/dbraw/zinc/98/09/76/353980976.db2.gz IANDXEXVDVQSFF-PHIMTYICSA-N 2 1 252.362 -0.059 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000417706811 353981183 /nfs/dbraw/zinc/98/11/83/353981183.db2.gz AIHHNXLMMGXNKY-NEPJUHHUSA-N 2 1 272.393 -0.151 20 0 CBADMP C[N@@H+](CCNC(=O)NCCCN1CC[NH2+]CC1)C1CC1 ZINC000417631224 353981226 /nfs/dbraw/zinc/98/12/26/353981226.db2.gz VRNXYYUQYXJHGR-UHFFFAOYSA-N 2 1 283.420 -0.325 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000417701555 353981287 /nfs/dbraw/zinc/98/12/87/353981287.db2.gz IFIQILXKQCYRDX-SGMGOOAPSA-N 2 1 296.415 -0.117 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000417698944 353981314 /nfs/dbraw/zinc/98/13/14/353981314.db2.gz FJTARZOMMCDWDS-NEPJUHHUSA-N 2 1 270.377 -0.256 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000417706789 353981372 /nfs/dbraw/zinc/98/13/72/353981372.db2.gz AEJGVYNZENXGHB-RYUDHWBXSA-N 2 1 272.393 -0.009 20 0 CBADMP C[C@H](CNC(=O)N1CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC000417729458 353981767 /nfs/dbraw/zinc/98/17/67/353981767.db2.gz QCEWMPRHEHMZSC-GFCCVEGCSA-N 2 1 270.377 -0.431 20 0 CBADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])C[NH+]1CCOCC1 ZINC000417728788 353981932 /nfs/dbraw/zinc/98/19/32/353981932.db2.gz PJAUSMBDUKKELC-UTUOFQBUSA-N 2 1 272.393 -0.010 20 0 CBADMP C[NH2+]CCCNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000417732186 353982121 /nfs/dbraw/zinc/98/21/21/353982121.db2.gz SKVLFZAIQZFWCS-GFCCVEGCSA-N 2 1 272.393 -0.137 20 0 CBADMP C[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])C[NH+]1CCOCC1 ZINC000417728416 353982157 /nfs/dbraw/zinc/98/21/57/353982157.db2.gz PJAUSMBDUKKELC-GRYCIOLGSA-N 2 1 272.393 -0.010 20 0 CBADMP [NH3+]CCN(CCO)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000418114796 353987651 /nfs/dbraw/zinc/98/76/51/353987651.db2.gz MRPMUOVTETYWGP-ZDUSSCGKSA-N 2 1 284.404 -0.034 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCC[NH2+]C1CC1 ZINC000418285147 353990270 /nfs/dbraw/zinc/99/02/70/353990270.db2.gz DVYDETJISVUUPG-LBPRGKRZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCC[NH2+]C1CC1 ZINC000418285147 353990273 /nfs/dbraw/zinc/99/02/73/353990273.db2.gz DVYDETJISVUUPG-LBPRGKRZSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[NH+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418295905 353992094 /nfs/dbraw/zinc/99/20/94/353992094.db2.gz IIHPHAXPCMVADM-UHFFFAOYSA-N 2 1 283.420 -0.371 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC[NH3+])CC1 ZINC000418301746 353992248 /nfs/dbraw/zinc/99/22/48/353992248.db2.gz ZFQFBVBTJCXFGO-CYBMUJFWSA-N 2 1 283.420 -0.243 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[NH3+])[C@H](C)C1 ZINC000418305920 353992735 /nfs/dbraw/zinc/99/27/35/353992735.db2.gz PWNNBZBOLYANRG-SNVBAGLBSA-N 2 1 272.349 -0.776 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)NCC[NH3+])[C@H](C)C1 ZINC000418305920 353992737 /nfs/dbraw/zinc/99/27/37/353992737.db2.gz PWNNBZBOLYANRG-SNVBAGLBSA-N 2 1 272.349 -0.776 20 0 CBADMP COCC[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418320323 353993761 /nfs/dbraw/zinc/99/37/61/353993761.db2.gz QFOYLIZDTUUVAV-CYBMUJFWSA-N 2 1 284.404 -0.040 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000418365189 353994602 /nfs/dbraw/zinc/99/46/02/353994602.db2.gz DVHSLPBZLRCMCL-CHWSQXEVSA-N 2 1 286.420 -0.012 20 0 CBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418375720 353995041 /nfs/dbraw/zinc/99/50/41/353995041.db2.gz HXSQSXIBIYTZHY-NWDGAFQWSA-N 2 1 284.404 -0.165 20 0 CBADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)N[C@@H]1CCC[NH2+]C1 ZINC000418379891 353995782 /nfs/dbraw/zinc/99/57/82/353995782.db2.gz JJTNCANVQJSSME-OLZOCXBDSA-N 2 1 284.404 -0.116 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000418383249 353996158 /nfs/dbraw/zinc/99/61/58/353996158.db2.gz NGYSIXIUICMYQM-NEPJUHHUSA-N 2 1 298.387 -0.373 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000418383249 353996160 /nfs/dbraw/zinc/99/61/60/353996160.db2.gz NGYSIXIUICMYQM-NEPJUHHUSA-N 2 1 298.387 -0.373 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000418379735 353996235 /nfs/dbraw/zinc/99/62/35/353996235.db2.gz WGNQEGUSKLZOGQ-STQMWFEESA-N 2 1 284.404 -0.116 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413896539 353959686 /nfs/dbraw/zinc/95/96/86/353959686.db2.gz GJYARYBIKYRUSJ-GFCCVEGCSA-N 2 1 285.388 -0.109 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413896539 353959688 /nfs/dbraw/zinc/95/96/88/353959688.db2.gz GJYARYBIKYRUSJ-GFCCVEGCSA-N 2 1 285.388 -0.109 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419227112 354039503 /nfs/dbraw/zinc/03/95/03/354039503.db2.gz SCEAPEQULSHHED-ZDUSSCGKSA-N 2 1 294.399 -0.377 20 0 CBADMP CCC[NH2+]CCNC(=O)N1CC[NH+](CCOC)CC1 ZINC000418480843 353999223 /nfs/dbraw/zinc/99/92/23/353999223.db2.gz SBLNXWMIQHKWMA-UHFFFAOYSA-N 2 1 272.393 -0.040 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418520372 354001588 /nfs/dbraw/zinc/00/15/88/354001588.db2.gz DAIHZNWOMQPSMJ-SNVBAGLBSA-N 2 1 294.346 -0.274 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000418520372 354001589 /nfs/dbraw/zinc/00/15/89/354001589.db2.gz DAIHZNWOMQPSMJ-SNVBAGLBSA-N 2 1 294.346 -0.274 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000418583172 354003070 /nfs/dbraw/zinc/00/30/70/354003070.db2.gz ATFJMGVNMUNINW-STQMWFEESA-N 2 1 284.404 -0.042 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000418620213 354003913 /nfs/dbraw/zinc/00/39/13/354003913.db2.gz PYFHKLIQBGKMJV-QWRGUYRKSA-N 2 1 272.393 -0.180 20 0 CBADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418665801 354005067 /nfs/dbraw/zinc/00/50/67/354005067.db2.gz CUSCQYIRLLLGIW-WUHRBBMRSA-N 2 1 282.388 -0.650 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418667844 354005317 /nfs/dbraw/zinc/00/53/17/354005317.db2.gz HALPZXJWPUQWSB-GDNZZTSVSA-N 2 1 252.362 -0.060 20 0 CBADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000418763692 354007841 /nfs/dbraw/zinc/00/78/41/354007841.db2.gz NDDOONCREGWHLB-WCQYABFASA-N 2 1 287.383 -0.767 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418772201 354008628 /nfs/dbraw/zinc/00/86/28/354008628.db2.gz SKRBJAXQBULPHD-OLZOCXBDSA-N 2 1 284.404 -0.044 20 0 CBADMP CC[N@H+]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000418771377 354008852 /nfs/dbraw/zinc/00/88/52/354008852.db2.gz VPUBNUMHAXJVPZ-ZDUSSCGKSA-N 2 1 283.420 -0.373 20 0 CBADMP [NH3+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418864417 354013400 /nfs/dbraw/zinc/01/34/00/354013400.db2.gz QMCGMKOCJOBTMJ-ZDUSSCGKSA-N 2 1 290.367 -0.548 20 0 CBADMP 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 354017512 /nfs/dbraw/zinc/01/75/12/354017512.db2.gz GOFXENTYPJTYEU-QNWHQSFQSA-N 2 1 296.415 -0.206 20 0 CBADMP 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 354017561 /nfs/dbraw/zinc/01/75/61/354017561.db2.gz GOFXENTYPJTYEU-YVECIDJPSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419032410 354025108 /nfs/dbraw/zinc/02/51/08/354025108.db2.gz WMQLSZWONGXIHN-XQQFMLRXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419029680 354025346 /nfs/dbraw/zinc/02/53/46/354025346.db2.gz RTXLPUFYMNGGJM-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419032919 354026269 /nfs/dbraw/zinc/02/62/69/354026269.db2.gz XPXVZSCFEAXUMU-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)C1 ZINC000419033411 354026779 /nfs/dbraw/zinc/02/67/79/354026779.db2.gz XHWJJRNPCAIVGK-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419283310 354043059 /nfs/dbraw/zinc/04/30/59/354043059.db2.gz JPUOOONRIHQWAL-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000419100691 354028168 /nfs/dbraw/zinc/02/81/68/354028168.db2.gz JEJTVSHUFSUVIU-DGCLKSJQSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419105892 354028819 /nfs/dbraw/zinc/02/88/19/354028819.db2.gz OCRIHAQHVZYWGL-JTQLQIEISA-N 2 1 268.361 -0.854 20 0 CBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419114445 354029385 /nfs/dbraw/zinc/02/93/85/354029385.db2.gz XGSVETBRJSFFBG-NSHDSACASA-N 2 1 284.404 -0.314 20 0 CBADMP CCCN(C(=O)C(=O)NCC[N@@H+](C)C1CC1)[C@H]1CC[NH2+]C1 ZINC000419113947 354029421 /nfs/dbraw/zinc/02/94/21/354029421.db2.gz WTMVVRGVPDTHEG-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419283582 354043256 /nfs/dbraw/zinc/04/32/56/354043256.db2.gz JQFMDIGHVDMHKR-LBPRGKRZSA-N 2 1 284.404 -0.312 20 0 CBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000419156080 354034262 /nfs/dbraw/zinc/03/42/62/354034262.db2.gz UPTRQVXXZYJFOP-RYUDHWBXSA-N 2 1 296.415 -0.171 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419279053 354043409 /nfs/dbraw/zinc/04/34/09/354043409.db2.gz BZBHCAWUHBIIDK-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000419224843 354037992 /nfs/dbraw/zinc/03/79/92/354037992.db2.gz NUQKZFAKWUAKHN-CYBMUJFWSA-N 2 1 296.415 -0.274 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419220337 354038507 /nfs/dbraw/zinc/03/85/07/354038507.db2.gz IMRWOQRPEGKCFE-LBPRGKRZSA-N 2 1 282.388 -0.534 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419227111 354038965 /nfs/dbraw/zinc/03/89/65/354038965.db2.gz SCEAPEQULSHHED-CYBMUJFWSA-N 2 1 294.399 -0.377 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000419576284 354062210 /nfs/dbraw/zinc/06/22/10/354062210.db2.gz BVXRYKWXXRDFEO-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419577372 354064256 /nfs/dbraw/zinc/06/42/56/354064256.db2.gz CYVCPKRDYVBXMC-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000419593583 354065027 /nfs/dbraw/zinc/06/50/27/354065027.db2.gz SWONVFZZQQDSIX-GRYCIOLGSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[N@@H+](C)C1CC1 ZINC000419596387 354065217 /nfs/dbraw/zinc/06/52/17/354065217.db2.gz YAVQXBFWMQSICM-SKDRFNHKSA-N 2 1 282.388 -0.561 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000419878664 354088087 /nfs/dbraw/zinc/08/80/87/354088087.db2.gz SJFWBAVKYWAECJ-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419696913 354070385 /nfs/dbraw/zinc/07/03/85/354070385.db2.gz PSIKXMVIAFDAEQ-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000419696864 354070586 /nfs/dbraw/zinc/07/05/86/354070586.db2.gz PLPXUOFANGKBQP-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000419736165 354074201 /nfs/dbraw/zinc/07/42/01/354074201.db2.gz RMIMVEHMPKNEFM-YPMHNXCESA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419740888 354074812 /nfs/dbraw/zinc/07/48/12/354074812.db2.gz YOJGDECMYQFKOX-DGCLKSJQSA-N 2 1 296.415 -0.027 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419765192 354075753 /nfs/dbraw/zinc/07/57/53/354075753.db2.gz QCCYUKISHUFXHV-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000419785073 354077363 /nfs/dbraw/zinc/07/73/63/354077363.db2.gz YHBMNFHIWDOZPU-NWDGAFQWSA-N 2 1 298.431 -0.066 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000419782602 354077506 /nfs/dbraw/zinc/07/75/06/354077506.db2.gz UJYHIMXZJOKCKB-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419830420 354081115 /nfs/dbraw/zinc/08/11/15/354081115.db2.gz QGUIEIMWNFQCHU-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419837671 354082340 /nfs/dbraw/zinc/08/23/40/354082340.db2.gz XBHPEQHQRJACIV-RWMBFGLXSA-N 2 1 294.399 -0.402 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419837555 354082408 /nfs/dbraw/zinc/08/24/08/354082408.db2.gz DDJPDJCNOXYLLW-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419837555 354082410 /nfs/dbraw/zinc/08/24/10/354082410.db2.gz DDJPDJCNOXYLLW-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCCC[NH3+])CC[N@@H+]1C ZINC000419832790 354082505 /nfs/dbraw/zinc/08/25/05/354082505.db2.gz OKWKPPPXZTWCCQ-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCCC[NH3+])CC[N@H+]1C ZINC000419832790 354082507 /nfs/dbraw/zinc/08/25/07/354082507.db2.gz OKWKPPPXZTWCCQ-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH2+]CC2)C[C@@H]1C ZINC000419845012 354084147 /nfs/dbraw/zinc/08/41/47/354084147.db2.gz DBEXEQBUFVTOMN-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH2+]CC2)C[C@@H]1C ZINC000419845012 354084150 /nfs/dbraw/zinc/08/41/50/354084150.db2.gz DBEXEQBUFVTOMN-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419861717 354086293 /nfs/dbraw/zinc/08/62/93/354086293.db2.gz MIONEGYMQDDNKF-GFCCVEGCSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000419861764 354086398 /nfs/dbraw/zinc/08/63/98/354086398.db2.gz AAFCRYAGIXJUIY-LLVKDONJSA-N 2 1 270.377 -0.879 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000419861764 354086402 /nfs/dbraw/zinc/08/64/02/354086402.db2.gz AAFCRYAGIXJUIY-LLVKDONJSA-N 2 1 270.377 -0.879 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCCC[NH3+] ZINC000419284244 354043708 /nfs/dbraw/zinc/04/37/08/354043708.db2.gz KWFRVVOIUJZPLI-UHFFFAOYSA-N 2 1 258.366 -0.701 20 0 CBADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000419294626 354044442 /nfs/dbraw/zinc/04/44/42/354044442.db2.gz BUQZXPIXRJXCAC-LBPRGKRZSA-N 2 1 295.387 -0.059 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000419316847 354045887 /nfs/dbraw/zinc/04/58/87/354045887.db2.gz LXEHMBMZEJJGSG-NEPJUHHUSA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000419315584 354046231 /nfs/dbraw/zinc/04/62/31/354046231.db2.gz KGVCIGNCFNYQPU-GMXVVIOVSA-N 2 1 296.415 -0.173 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419337939 354046946 /nfs/dbraw/zinc/04/69/46/354046946.db2.gz RMJBHYPPFAPQHO-WZRBSPASSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419337933 354047151 /nfs/dbraw/zinc/04/71/51/354047151.db2.gz RMJBHYPPFAPQHO-DMDPSCGWSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000419325980 354047493 /nfs/dbraw/zinc/04/74/93/354047493.db2.gz XVGJHIPEBIIJGN-NXEZZACHSA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419414704 354052291 /nfs/dbraw/zinc/05/22/91/354052291.db2.gz UHVHOPVOHVVDJF-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419408898 354052445 /nfs/dbraw/zinc/05/24/45/354052445.db2.gz MKVIFXNCBDHEDL-GFCCVEGCSA-N 2 1 284.404 -0.440 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000419411506 354052651 /nfs/dbraw/zinc/05/26/51/354052651.db2.gz PWQFNLNLEIKKGS-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000419410137 354052794 /nfs/dbraw/zinc/05/27/94/354052794.db2.gz OGJWYVLAHMURLR-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419416531 354053674 /nfs/dbraw/zinc/05/36/74/354053674.db2.gz WGRMIDGMXLZQHY-LLVKDONJSA-N 2 1 270.377 -0.830 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000419417658 354053739 /nfs/dbraw/zinc/05/37/39/354053739.db2.gz XKNJNTNCHILCGJ-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NCC[NH3+])C1 ZINC000419474092 354055815 /nfs/dbraw/zinc/05/58/15/354055815.db2.gz BMMMIESPCVYNIQ-BETUJISGSA-N 2 1 298.431 -0.064 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419521214 354057178 /nfs/dbraw/zinc/05/71/78/354057178.db2.gz JMMXJRAZBGGOMC-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419519079 354057482 /nfs/dbraw/zinc/05/74/82/354057482.db2.gz FNTKZMJRCKBJOG-GHMZBOCLSA-N 2 1 272.393 -0.314 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419529425 354058231 /nfs/dbraw/zinc/05/82/31/354058231.db2.gz XRYNHUOSIZQIDL-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419527431 354058475 /nfs/dbraw/zinc/05/84/75/354058475.db2.gz VBDJLYINHRQTJC-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419524564 354058506 /nfs/dbraw/zinc/05/85/06/354058506.db2.gz QFQDXTIHNAUWMR-ZYHUDNBSSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH2+]C)C1CC1 ZINC000419529391 354058546 /nfs/dbraw/zinc/05/85/46/354058546.db2.gz XNARMHLGNZRBQG-NSHDSACASA-N 2 1 284.404 -0.441 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[NH2+]C ZINC000419524551 354058746 /nfs/dbraw/zinc/05/87/46/354058746.db2.gz QDSZSEOAVSKMHN-JTQLQIEISA-N 2 1 258.366 -0.832 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419526143 354058759 /nfs/dbraw/zinc/05/87/59/354058759.db2.gz SOLLZZAGGNCAIG-VHSXEESVSA-N 2 1 258.366 -0.704 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000419527548 354058808 /nfs/dbraw/zinc/05/88/08/354058808.db2.gz VJFBUZSWQSIFSJ-LLVKDONJSA-N 2 1 282.388 -0.545 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000419541785 354059367 /nfs/dbraw/zinc/05/93/67/354059367.db2.gz DTXRCNSIFVJZQA-QJPTWQEYSA-N 2 1 284.404 -0.315 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419530775 354059441 /nfs/dbraw/zinc/05/94/41/354059441.db2.gz ZKLOVVVWCYSKGP-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000419872389 354087666 /nfs/dbraw/zinc/08/76/66/354087666.db2.gz LOBKJZZVCOZBNG-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCC[N@H+]1C ZINC000419542364 354060376 /nfs/dbraw/zinc/06/03/76/354060376.db2.gz FJPSPHNNGNKUFQ-SRVKXCTJSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000419561772 354061003 /nfs/dbraw/zinc/06/10/03/354061003.db2.gz UFNRKOHCPLMXCA-VWYCJHECSA-N 2 1 270.377 -0.704 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419561770 354061175 /nfs/dbraw/zinc/06/11/75/354061175.db2.gz UFNRKOHCPLMXCA-MXWKQRLJSA-N 2 1 270.377 -0.704 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000419887817 354089819 /nfs/dbraw/zinc/08/98/19/354089819.db2.gz JGRCABHAZQPNCZ-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000419893434 354090787 /nfs/dbraw/zinc/09/07/87/354090787.db2.gz MBYRCPWNUWQZCR-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000419893434 354090791 /nfs/dbraw/zinc/09/07/91/354090791.db2.gz MBYRCPWNUWQZCR-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000419893470 354090930 /nfs/dbraw/zinc/09/09/30/354090930.db2.gz VNAMQLIKFBFFGC-GRYCIOLGSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000419893470 354090932 /nfs/dbraw/zinc/09/09/32/354090932.db2.gz VNAMQLIKFBFFGC-GRYCIOLGSA-N 2 1 282.388 -0.594 20 0 CBADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000419904055 354091559 /nfs/dbraw/zinc/09/15/59/354091559.db2.gz NWRSSPYUTAHREZ-CYBMUJFWSA-N 2 1 294.399 -0.591 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000419898718 354091907 /nfs/dbraw/zinc/09/19/07/354091907.db2.gz XBPNIHYWVOIDRC-UHFFFAOYSA-N 2 1 282.388 -0.591 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419903781 354092048 /nfs/dbraw/zinc/09/20/48/354092048.db2.gz WXCUZGAQQNSYMT-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000419909976 354092900 /nfs/dbraw/zinc/09/29/00/354092900.db2.gz NIIYJXOMOIRHDO-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000419909976 354092902 /nfs/dbraw/zinc/09/29/02/354092902.db2.gz NIIYJXOMOIRHDO-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000419938529 354094228 /nfs/dbraw/zinc/09/42/28/354094228.db2.gz WZEFSDNBRATHCU-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000419938529 354094233 /nfs/dbraw/zinc/09/42/33/354094233.db2.gz WZEFSDNBRATHCU-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000419937599 354094353 /nfs/dbraw/zinc/09/43/53/354094353.db2.gz WACNJPHKMJDJDU-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000419927456 354094392 /nfs/dbraw/zinc/09/43/92/354094392.db2.gz CSHWODFTCOHOHS-YNEHKIRRSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419950857 354096351 /nfs/dbraw/zinc/09/63/51/354096351.db2.gz HXKVAEVKAJVLID-GFCCVEGCSA-N 2 1 284.404 -0.502 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH2+]C)C(C)C ZINC000419949857 354096582 /nfs/dbraw/zinc/09/65/82/354096582.db2.gz LQXPOBJZDUPRGD-LBPRGKRZSA-N 2 1 286.420 -0.195 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000419958115 354097197 /nfs/dbraw/zinc/09/71/97/354097197.db2.gz UQKKZLAYFKEIAR-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000419958115 354097200 /nfs/dbraw/zinc/09/72/00/354097200.db2.gz UQKKZLAYFKEIAR-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000419961052 354097285 /nfs/dbraw/zinc/09/72/85/354097285.db2.gz SWNQKVUGBKXCLP-UPJWGTAASA-N 2 1 298.431 -0.066 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)C[NH2+]C)C[C@H]1C ZINC000419974535 354099251 /nfs/dbraw/zinc/09/92/51/354099251.db2.gz JPQKQSZHYJZEFB-UPJWGTAASA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)C[NH2+]C)C[C@H]1C ZINC000419974535 354099256 /nfs/dbraw/zinc/09/92/56/354099256.db2.gz JPQKQSZHYJZEFB-UPJWGTAASA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000419979687 354099443 /nfs/dbraw/zinc/09/94/43/354099443.db2.gz PWBOKMAISYKPTL-QWHCGFSZSA-N 2 1 298.431 -0.243 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000419979687 354099447 /nfs/dbraw/zinc/09/94/47/354099447.db2.gz PWBOKMAISYKPTL-QWHCGFSZSA-N 2 1 298.431 -0.243 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000419982511 354099903 /nfs/dbraw/zinc/09/99/03/354099903.db2.gz SZQTUUGLDVHWFG-UPJWGTAASA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000420020998 354102677 /nfs/dbraw/zinc/10/26/77/354102677.db2.gz GRGPEWNTXIFGKK-SDDRHHMPSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@H](C)C[NH3+])C[C@H]1C ZINC000420017796 354102855 /nfs/dbraw/zinc/10/28/55/354102855.db2.gz WTWUXPCTURTZFX-GMTAPVOTSA-N 2 1 270.377 -0.609 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@H](C)C[NH3+])C[C@H]1C ZINC000420017796 354102858 /nfs/dbraw/zinc/10/28/58/354102858.db2.gz WTWUXPCTURTZFX-GMTAPVOTSA-N 2 1 270.377 -0.609 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420031019 354103773 /nfs/dbraw/zinc/10/37/73/354103773.db2.gz GVIOZSWGYJIYPB-STQMWFEESA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420031019 354103777 /nfs/dbraw/zinc/10/37/77/354103777.db2.gz GVIOZSWGYJIYPB-STQMWFEESA-N 2 1 296.415 -0.362 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420072282 354107160 /nfs/dbraw/zinc/10/71/60/354107160.db2.gz YXRSJELHEVOICC-WCQYABFASA-N 2 1 296.415 -0.360 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420072280 354107214 /nfs/dbraw/zinc/10/72/14/354107214.db2.gz YXRSJELHEVOICC-AAEUAGOBSA-N 2 1 296.415 -0.360 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420074709 354107316 /nfs/dbraw/zinc/10/73/16/354107316.db2.gz IPVYRHVSBREERU-NSHDSACASA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420074709 354107319 /nfs/dbraw/zinc/10/73/19/354107319.db2.gz IPVYRHVSBREERU-NSHDSACASA-N 2 1 284.404 -0.362 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420071952 354107455 /nfs/dbraw/zinc/10/74/55/354107455.db2.gz YOSCHOORRVBSBV-LBPRGKRZSA-N 2 1 282.388 -0.608 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420092905 354108407 /nfs/dbraw/zinc/10/84/07/354108407.db2.gz OVDBTRUEKJSPQD-UHFFFAOYSA-N 2 1 282.388 -0.463 20 0 CBADMP CCOC(=O)c1c[nH+]ccc1NC[C@H]1C[NH2+]CCN1C ZINC000420263697 354120505 /nfs/dbraw/zinc/12/05/05/354120505.db2.gz CLLNRGIMUAEHLQ-LLVKDONJSA-N 2 1 278.356 -0.004 20 0 CBADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)N1CC[NH2+]CC1 ZINC000420270832 354120801 /nfs/dbraw/zinc/12/08/01/354120801.db2.gz JPJKKFWGIJPGIA-CYBMUJFWSA-N 3 1 268.405 -0.260 20 0 CBADMP C[N@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)N1CCNCC1 ZINC000420270832 354120802 /nfs/dbraw/zinc/12/08/02/354120802.db2.gz JPJKKFWGIJPGIA-CYBMUJFWSA-N 2 1 268.405 -0.260 20 0 CBADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)N1CCNCC1 ZINC000420270832 354120803 /nfs/dbraw/zinc/12/08/03/354120803.db2.gz JPJKKFWGIJPGIA-CYBMUJFWSA-N 2 1 268.405 -0.260 20 0 CBADMP CCOC(=O)CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000420278429 354120892 /nfs/dbraw/zinc/12/08/92/354120892.db2.gz VPPYGTHFMPBABY-UHFFFAOYSA-N 2 1 257.334 -0.697 20 0 CBADMP CCOC(=O)CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000420278429 354120894 /nfs/dbraw/zinc/12/08/94/354120894.db2.gz VPPYGTHFMPBABY-UHFFFAOYSA-N 2 1 257.334 -0.697 20 0 CBADMP CCS(=O)(=O)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420298676 354121833 /nfs/dbraw/zinc/12/18/33/354121833.db2.gz FPEUTJWWHIQVRE-LBPRGKRZSA-N 2 1 275.418 -0.047 20 0 CBADMP COC(=O)CN(C)C(=O)CC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000420301187 354121880 /nfs/dbraw/zinc/12/18/80/354121880.db2.gz ILWHHGUNCSTWDA-ZDUSSCGKSA-N 2 1 273.377 -0.029 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420313560 354122799 /nfs/dbraw/zinc/12/27/99/354122799.db2.gz UMKRLFHTOQTVSV-QWRGUYRKSA-N 2 1 263.407 -0.015 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420318660 354123139 /nfs/dbraw/zinc/12/31/39/354123139.db2.gz OIGQRNQZLKYFTD-WDEREUQCSA-N 2 1 263.407 -0.015 20 0 CBADMP COC(=O)C[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420358528 354125487 /nfs/dbraw/zinc/12/54/87/354125487.db2.gz JJJFKPYQHCJTFM-LBPRGKRZSA-N 2 1 283.372 -0.164 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C1 ZINC000423245391 354165743 /nfs/dbraw/zinc/16/57/43/354165743.db2.gz OWQMQDOMELYVBA-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000423270737 354167174 /nfs/dbraw/zinc/16/71/74/354167174.db2.gz IHGSQCMHCSRXHE-RAIGVLPGSA-N 2 1 294.399 -0.513 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000423270736 354167207 /nfs/dbraw/zinc/16/72/07/354167207.db2.gz IHGSQCMHCSRXHE-KGYLQXTDSA-N 2 1 294.399 -0.513 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC[NH2+]1 ZINC000423267004 354167260 /nfs/dbraw/zinc/16/72/60/354167260.db2.gz DNFAOSUBZGITOA-WCQYABFASA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000423305800 354168726 /nfs/dbraw/zinc/16/87/26/354168726.db2.gz RPBXHLIUDGDVAO-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000423483653 354177871 /nfs/dbraw/zinc/17/78/71/354177871.db2.gz SRKHBBCMJLFLRE-VXGBXAGGSA-N 2 1 255.362 -0.051 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423355611 354171467 /nfs/dbraw/zinc/17/14/67/354171467.db2.gz IKSZWAPFJKFMOJ-UPJWGTAASA-N 2 1 296.415 -0.409 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423355611 354171469 /nfs/dbraw/zinc/17/14/69/354171469.db2.gz IKSZWAPFJKFMOJ-UPJWGTAASA-N 2 1 296.415 -0.409 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)C1 ZINC000423352480 354171656 /nfs/dbraw/zinc/17/16/56/354171656.db2.gz AYPYYSSLJYDKKS-CHWSQXEVSA-N 2 1 296.415 -0.395 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)C1 ZINC000423352480 354171658 /nfs/dbraw/zinc/17/16/58/354171658.db2.gz AYPYYSSLJYDKKS-CHWSQXEVSA-N 2 1 296.415 -0.395 20 0 CBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423380090 354173471 /nfs/dbraw/zinc/17/34/71/354173471.db2.gz DIVIJBXMXLNCGO-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C[C@@H]1C ZINC000423384316 354173695 /nfs/dbraw/zinc/17/36/95/354173695.db2.gz KUTQKOYLQMCRBR-AVGNSLFASA-N 2 1 296.415 -0.265 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C[C@@H]1C ZINC000423384316 354173697 /nfs/dbraw/zinc/17/36/97/354173697.db2.gz KUTQKOYLQMCRBR-AVGNSLFASA-N 2 1 296.415 -0.265 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1(C)C[NH2+]C1 ZINC000423383461 354173707 /nfs/dbraw/zinc/17/37/07/354173707.db2.gz FFKDHABMTOOAQL-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423376097 354173747 /nfs/dbraw/zinc/17/37/47/354173747.db2.gz ALTSIKRXYHOFPC-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)C1 ZINC000423379385 354173794 /nfs/dbraw/zinc/17/37/94/354173794.db2.gz LVCDSFIFOIYZLC-CHWSQXEVSA-N 2 1 296.415 -0.395 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)C1 ZINC000423379385 354173795 /nfs/dbraw/zinc/17/37/95/354173795.db2.gz LVCDSFIFOIYZLC-CHWSQXEVSA-N 2 1 296.415 -0.395 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@@H]1C ZINC000423394356 354174564 /nfs/dbraw/zinc/17/45/64/354174564.db2.gz RIHSUPAKWQKSOY-QJPTWQEYSA-N 2 1 282.388 -0.513 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@@H]1C ZINC000423394356 354174568 /nfs/dbraw/zinc/17/45/68/354174568.db2.gz RIHSUPAKWQKSOY-QJPTWQEYSA-N 2 1 282.388 -0.513 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@]2(COC)CC[NH2+]C2)C[C@H]1C ZINC000423390647 354174729 /nfs/dbraw/zinc/17/47/29/354174729.db2.gz OTMSLVIWBFPWDH-UKRRQHHQSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@]2(COC)CC[NH2+]C2)C[C@H]1C ZINC000423390647 354174731 /nfs/dbraw/zinc/17/47/31/354174731.db2.gz OTMSLVIWBFPWDH-UKRRQHHQSA-N 2 1 299.415 -0.208 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000423426192 354175503 /nfs/dbraw/zinc/17/55/03/354175503.db2.gz MZSDLLRNODCYLR-DCAQKATOSA-N 2 1 269.345 -0.428 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000423426192 354175508 /nfs/dbraw/zinc/17/55/08/354175508.db2.gz MZSDLLRNODCYLR-DCAQKATOSA-N 2 1 269.345 -0.428 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000423415425 354176047 /nfs/dbraw/zinc/17/60/47/354176047.db2.gz AMVFXYNIZOZUBB-STQMWFEESA-N 2 1 294.399 -0.639 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000423439905 354176568 /nfs/dbraw/zinc/17/65/68/354176568.db2.gz WSXHOEUMXHLPDY-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)C1 ZINC000422541508 354149348 /nfs/dbraw/zinc/14/93/48/354149348.db2.gz LXVVTAFUUQSORZ-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000422733749 354152664 /nfs/dbraw/zinc/15/26/64/354152664.db2.gz RNNHECXAUSYUCF-RYUDHWBXSA-N 2 1 255.362 -0.036 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000422733749 354152667 /nfs/dbraw/zinc/15/26/67/354152667.db2.gz RNNHECXAUSYUCF-RYUDHWBXSA-N 2 1 255.362 -0.036 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000422966751 354158308 /nfs/dbraw/zinc/15/83/08/354158308.db2.gz ANJDKRYEKUMKOQ-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000422961635 354158323 /nfs/dbraw/zinc/15/83/23/354158323.db2.gz CPJAOUSKMQCGQS-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422975809 354158700 /nfs/dbraw/zinc/15/87/00/354158700.db2.gz UEZJZAHCZSXFNV-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000423018419 354160673 /nfs/dbraw/zinc/16/06/73/354160673.db2.gz YWSWPDZUGHVUNO-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423605243 354183860 /nfs/dbraw/zinc/18/38/60/354183860.db2.gz HJMXGPWRZHVSNS-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000423617332 354184642 /nfs/dbraw/zinc/18/46/42/354184642.db2.gz SXRJSLAPEVMIEG-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C[C@H](C)[N@H+]1C ZINC000423657619 354189257 /nfs/dbraw/zinc/18/92/57/354189257.db2.gz ZLMZLVKHTULCSH-GRYCIOLGSA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C[C@H](C)[N@@H+]1C ZINC000423657619 354189263 /nfs/dbraw/zinc/18/92/63/354189263.db2.gz ZLMZLVKHTULCSH-GRYCIOLGSA-N 2 1 282.388 -0.513 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000423656150 354189499 /nfs/dbraw/zinc/18/94/99/354189499.db2.gz TZQSQGPGGHNXMF-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH2+]C)CC1 ZINC000423709024 354193084 /nfs/dbraw/zinc/19/30/84/354193084.db2.gz IBGQQTQAVISKHP-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C[C@H](C)[NH2+]1 ZINC000423729718 354194944 /nfs/dbraw/zinc/19/49/44/354194944.db2.gz VHDIUFCBMIXJJJ-XQQFMLRXSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000423741273 354196136 /nfs/dbraw/zinc/19/61/36/354196136.db2.gz SQUBOUHAUUSIHQ-NDBYEHHHSA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000423741273 354196138 /nfs/dbraw/zinc/19/61/38/354196138.db2.gz SQUBOUHAUUSIHQ-NDBYEHHHSA-N 2 1 296.415 -0.267 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423763884 354198123 /nfs/dbraw/zinc/19/81/23/354198123.db2.gz QTZPIJKSVXCYBC-XQQFMLRXSA-N 2 1 287.404 -0.082 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423763884 354198125 /nfs/dbraw/zinc/19/81/25/354198125.db2.gz QTZPIJKSVXCYBC-XQQFMLRXSA-N 2 1 287.404 -0.082 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000423776712 354199278 /nfs/dbraw/zinc/19/92/78/354199278.db2.gz AVMMCAJLKQFKDP-SNVBAGLBSA-N 2 1 271.361 -0.181 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000423776707 354199607 /nfs/dbraw/zinc/19/96/07/354199607.db2.gz AVJLJJNDAZGHEG-LLVKDONJSA-N 2 1 271.361 -0.179 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)C[NH3+])[C@H](C)C1 ZINC000423859861 354202144 /nfs/dbraw/zinc/20/21/44/354202144.db2.gz KGMNFPLMVHAYNM-GHMZBOCLSA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)C[NH3+])[C@H](C)C1 ZINC000423859861 354202149 /nfs/dbraw/zinc/20/21/49/354202149.db2.gz KGMNFPLMVHAYNM-GHMZBOCLSA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C(C)(C)[NH3+])C[C@H]1C ZINC000423877031 354203158 /nfs/dbraw/zinc/20/31/58/354203158.db2.gz CSWGNDAOVWBIIC-SNVBAGLBSA-N 2 1 271.361 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)C(C)(C)[NH3+])C[C@H]1C ZINC000423877031 354203163 /nfs/dbraw/zinc/20/31/63/354203163.db2.gz CSWGNDAOVWBIIC-SNVBAGLBSA-N 2 1 271.361 -0.181 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000423885704 354204079 /nfs/dbraw/zinc/20/40/79/354204079.db2.gz DZLDXTUPIJOCNB-NEPJUHHUSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000423885704 354204085 /nfs/dbraw/zinc/20/40/85/354204085.db2.gz DZLDXTUPIJOCNB-NEPJUHHUSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000423885714 354204527 /nfs/dbraw/zinc/20/45/27/354204527.db2.gz DZLDXTUPIJOCNB-VXGBXAGGSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000423885714 354204528 /nfs/dbraw/zinc/20/45/28/354204528.db2.gz DZLDXTUPIJOCNB-VXGBXAGGSA-N 2 1 283.372 -0.308 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C[NH3+])C2CC2)C1 ZINC000423947861 354206110 /nfs/dbraw/zinc/20/61/10/354206110.db2.gz LFAMIRJKGIRFEY-NEPJUHHUSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C[NH3+])C2CC2)C1 ZINC000423947861 354206113 /nfs/dbraw/zinc/20/61/13/354206113.db2.gz LFAMIRJKGIRFEY-NEPJUHHUSA-N 2 1 255.362 -0.097 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000424196761 354217900 /nfs/dbraw/zinc/21/79/00/354217900.db2.gz VSGUUCGJKILRPP-XQQFMLRXSA-N 2 1 267.373 -0.177 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424140677 354211179 /nfs/dbraw/zinc/21/11/79/354211179.db2.gz SQCFSYJOEAEEQC-TUAOUCFPSA-N 2 1 255.362 -0.193 20 0 CBADMP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000424199875 354218269 /nfs/dbraw/zinc/21/82/69/354218269.db2.gz QLHKUOUDARFOMX-RDBSUJKOSA-N 2 1 297.399 -0.280 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427779093 354245413 /nfs/dbraw/zinc/24/54/13/354245413.db2.gz HCTMIJPAJMVNIC-MCIONIFRSA-N 2 1 281.400 -0.025 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)CN1CC[NH+](C)CC1 ZINC000431016190 354251464 /nfs/dbraw/zinc/25/14/64/354251464.db2.gz YVUMLOZCEFMTFX-ZIAGYGMSSA-N 2 1 298.431 -0.635 20 0 CBADMP C[NH2+]CCCN1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000435885333 354255292 /nfs/dbraw/zinc/25/52/92/354255292.db2.gz IRLNKXGSXVZJSD-GFCCVEGCSA-N 2 1 254.378 -0.508 20 0 CBADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000435885333 354255294 /nfs/dbraw/zinc/25/52/94/354255294.db2.gz IRLNKXGSXVZJSD-GFCCVEGCSA-N 2 1 254.378 -0.508 20 0 CBADMP C[NH2+]CCC[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000435885333 354255296 /nfs/dbraw/zinc/25/52/96/354255296.db2.gz IRLNKXGSXVZJSD-GFCCVEGCSA-N 2 1 254.378 -0.508 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435624977 354255335 /nfs/dbraw/zinc/25/53/35/354255335.db2.gz ZBVQZZPKZFWRCQ-LLVKDONJSA-N 2 1 263.407 0.000 20 0 CBADMP C[C@H]([NH3+])CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000442665109 354258405 /nfs/dbraw/zinc/25/84/05/354258405.db2.gz OCQZNKLVZVVDJN-ZDUSSCGKSA-N 2 1 268.405 -0.036 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1C[NH2+]CCO1 ZINC000444169192 354262124 /nfs/dbraw/zinc/26/21/24/354262124.db2.gz QDOWETVYWAKBNI-QJPTWQEYSA-N 2 1 253.346 -0.282 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1coc(C[NH3+])c1 ZINC000444177845 354263017 /nfs/dbraw/zinc/26/30/17/354263017.db2.gz UGPFLDFCMOFVLA-LBPRGKRZSA-N 2 1 294.355 -0.192 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000424218659 354220421 /nfs/dbraw/zinc/22/04/21/354220421.db2.gz VTJGUAQHTPGFOI-UHFFFAOYSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000446365211 354286554 /nfs/dbraw/zinc/28/65/54/354286554.db2.gz VMDGDPCTWPSFFT-AGIUHOORSA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000447435654 354298456 /nfs/dbraw/zinc/29/84/56/354298456.db2.gz QCJHSCTUCUNCJH-QWRGUYRKSA-N 2 1 259.350 -0.813 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000449753194 354321766 /nfs/dbraw/zinc/32/17/66/354321766.db2.gz OCPPMRPQKDEHKZ-QWRGUYRKSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000449753194 354321767 /nfs/dbraw/zinc/32/17/67/354321767.db2.gz OCPPMRPQKDEHKZ-QWRGUYRKSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451633740 354338408 /nfs/dbraw/zinc/33/84/08/354338408.db2.gz NBPVGKRUMFUHLH-PHIMTYICSA-N 2 1 253.346 -0.077 20 0 CBADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451633740 354338411 /nfs/dbraw/zinc/33/84/11/354338411.db2.gz NBPVGKRUMFUHLH-PHIMTYICSA-N 2 1 253.346 -0.077 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000452366026 354349646 /nfs/dbraw/zinc/34/96/46/354349646.db2.gz OGICGYCBVJNGPI-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000452366026 354349647 /nfs/dbraw/zinc/34/96/47/354349647.db2.gz OGICGYCBVJNGPI-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000452366026 354349650 /nfs/dbraw/zinc/34/96/50/354349650.db2.gz OGICGYCBVJNGPI-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000452366026 354349653 /nfs/dbraw/zinc/34/96/53/354349653.db2.gz OGICGYCBVJNGPI-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C[NH3+])OC)C[C@@H]1C ZINC000423877909 291026712 /nfs/dbraw/zinc/02/67/12/291026712.db2.gz DGNSSGZEVISWPN-WDEREUQCSA-N 2 1 287.360 -0.944 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C[NH3+])OC)C[C@@H]1C ZINC000423877909 291026713 /nfs/dbraw/zinc/02/67/13/291026713.db2.gz DGNSSGZEVISWPN-WDEREUQCSA-N 2 1 287.360 -0.944 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000487335256 354413775 /nfs/dbraw/zinc/41/37/75/354413775.db2.gz HANCIUPGOYEPOX-XQQFMLRXSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000487335256 354413776 /nfs/dbraw/zinc/41/37/76/354413776.db2.gz HANCIUPGOYEPOX-XQQFMLRXSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000487335249 354414021 /nfs/dbraw/zinc/41/40/21/354414021.db2.gz HANCIUPGOYEPOX-JHJVBQTASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000487335249 354414023 /nfs/dbraw/zinc/41/40/23/354414023.db2.gz HANCIUPGOYEPOX-JHJVBQTASA-N 2 1 269.389 -0.291 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000491904847 354462167 /nfs/dbraw/zinc/46/21/67/354462167.db2.gz LAMZGWBBHOAXLP-ITKZLYELSA-N 2 1 255.362 -0.059 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000491904849 354462485 /nfs/dbraw/zinc/46/24/85/354462485.db2.gz LAMZGWBBHOAXLP-RXNFCKPNSA-N 2 1 255.362 -0.059 20 0 CBADMP COC(=O)N1CCC([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000495350868 354503267 /nfs/dbraw/zinc/50/32/67/354503267.db2.gz AIWYLKUXCLMEFN-NSHDSACASA-N 2 1 259.350 -0.271 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000515073208 354556065 /nfs/dbraw/zinc/55/60/65/354556065.db2.gz NGLPWLZERHLINK-VXGBXAGGSA-N 3 1 252.362 -0.770 20 0 CBADMP C[NH2+]C[C@@](C)(O)CN1CC[NH+](CCOC(C)C)CC1 ZINC000515069111 354556110 /nfs/dbraw/zinc/55/61/10/354556110.db2.gz XUEOCYLZIXSWOT-CQSZACIVSA-N 2 1 273.421 -0.001 20 0 CBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000535715296 354602263 /nfs/dbraw/zinc/60/22/63/354602263.db2.gz JXPLZVLJNYBKRU-UKRRQHHQSA-N 2 1 292.427 -0.023 20 0 CBADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000535715296 354602268 /nfs/dbraw/zinc/60/22/68/354602268.db2.gz JXPLZVLJNYBKRU-UKRRQHHQSA-N 2 1 292.427 -0.023 20 0 CBADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000535715296 354602272 /nfs/dbraw/zinc/60/22/72/354602272.db2.gz JXPLZVLJNYBKRU-UKRRQHHQSA-N 2 1 292.427 -0.023 20 0 CBADMP CNc1ncnc2c1cnn2C[C@@H](O)C[N@@H+](C)CCOC ZINC000519424823 354561515 /nfs/dbraw/zinc/56/15/15/354561515.db2.gz BVPRPIAHBGTVMB-JTQLQIEISA-N 2 1 294.359 -0.193 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)C1 ZINC000519551385 354563468 /nfs/dbraw/zinc/56/34/68/354563468.db2.gz LXXBASAIAWJQDD-IUODEOHRSA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[N@H+]1CCC[C@H](C)C1 ZINC000519548879 354563888 /nfs/dbraw/zinc/56/38/88/354563888.db2.gz MWJJPCOUFHHCEY-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CCCC[NH3+])C1 ZINC000519816616 354566029 /nfs/dbraw/zinc/56/60/29/354566029.db2.gz GVWDCCJZUJZBDN-GFCCVEGCSA-N 2 1 284.404 -0.181 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000526127155 354575428 /nfs/dbraw/zinc/57/54/28/354575428.db2.gz FTEZEOAMSQCXMC-CQSZACIVSA-N 2 1 299.415 -0.207 20 0 CBADMP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000529303616 354583311 /nfs/dbraw/zinc/58/33/11/354583311.db2.gz ABLLDCWSJKSOIM-MNOVXSKESA-N 2 1 268.361 -0.489 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529309003 354583532 /nfs/dbraw/zinc/58/35/32/354583532.db2.gz XIIWPVRNHUKBCT-STQMWFEESA-N 2 1 295.431 -0.184 20 0 CBADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529388956 354584930 /nfs/dbraw/zinc/58/49/30/354584930.db2.gz VDBARZDHEVIFIB-RYUDHWBXSA-N 2 1 270.377 -0.290 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3COCC[NH2+]3)C[C@@H]21 ZINC000529390511 354585951 /nfs/dbraw/zinc/58/59/51/354585951.db2.gz VKMWQCIOMURLNH-UTUOFQBUSA-N 2 1 268.361 -0.680 20 0 CBADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C1CC1 ZINC000534266060 354595975 /nfs/dbraw/zinc/59/59/75/354595975.db2.gz GGRNFZVKNHOWTA-UONOGXRCSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+]1CCCC1 ZINC000534268715 354596726 /nfs/dbraw/zinc/59/67/26/354596726.db2.gz UJRIBIUTYPJBIJ-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000546590489 354653436 /nfs/dbraw/zinc/65/34/36/354653436.db2.gz BXFBFWMGJTWCQE-WFASDCNBSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000546590489 354653440 /nfs/dbraw/zinc/65/34/40/354653440.db2.gz BXFBFWMGJTWCQE-WFASDCNBSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000546590489 354653442 /nfs/dbraw/zinc/65/34/42/354653442.db2.gz BXFBFWMGJTWCQE-WFASDCNBSA-N 2 1 296.415 -0.164 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)C[N@H+]1C1CC1 ZINC000547298838 354657649 /nfs/dbraw/zinc/65/76/49/354657649.db2.gz UIQAAZQWMFXYEH-JMSVASOKSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C[NH+]1C1CC1 ZINC000547298838 354657652 /nfs/dbraw/zinc/65/76/52/354657652.db2.gz UIQAAZQWMFXYEH-JMSVASOKSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C[NH+]1C1CC1 ZINC000547298838 354657655 /nfs/dbraw/zinc/65/76/55/354657655.db2.gz UIQAAZQWMFXYEH-JMSVASOKSA-N 2 1 296.415 -0.023 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000537567801 354610067 /nfs/dbraw/zinc/61/00/67/354610067.db2.gz YPAAMQCFTRONAG-SOUVJXGZSA-N 2 1 285.432 -0.049 20 0 CBADMP C[NH+](C)CCOCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000538646771 354613751 /nfs/dbraw/zinc/61/37/51/354613751.db2.gz QRGGKTZIMACIAJ-LLVKDONJSA-N 2 1 259.350 -0.989 20 0 CBADMP C[NH+](C)CCOCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000538646771 354613753 /nfs/dbraw/zinc/61/37/53/354613753.db2.gz QRGGKTZIMACIAJ-LLVKDONJSA-N 2 1 259.350 -0.989 20 0 CBADMP CC[NH2+]CCCNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000557210553 354685316 /nfs/dbraw/zinc/68/53/16/354685316.db2.gz APZRRCAZQNRWTE-LBPRGKRZSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000562831820 354689326 /nfs/dbraw/zinc/68/93/26/354689326.db2.gz QKDNVESZOOOWNV-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CN(CCO)CCN1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000563034938 354692511 /nfs/dbraw/zinc/69/25/11/354692511.db2.gz DNWUYUHKZMWVHJ-OLZOCXBDSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000563034938 354692515 /nfs/dbraw/zinc/69/25/15/354692515.db2.gz DNWUYUHKZMWVHJ-OLZOCXBDSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000563034938 354692518 /nfs/dbraw/zinc/69/25/18/354692518.db2.gz DNWUYUHKZMWVHJ-OLZOCXBDSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000563034938 354692525 /nfs/dbraw/zinc/69/25/25/354692525.db2.gz DNWUYUHKZMWVHJ-OLZOCXBDSA-N 2 1 296.415 -0.069 20 0 CBADMP CO[C@@H]1C[NH+](CCCC[N@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000563052342 354693401 /nfs/dbraw/zinc/69/34/01/354693401.db2.gz KSQXHLLTZPTPJT-AAVRWANBSA-N 2 1 288.388 -0.850 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000563091974 354695997 /nfs/dbraw/zinc/69/59/97/354695997.db2.gz HZDIXIIHFUFYRK-KOLCDFICSA-N 2 1 269.345 -0.523 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000563203352 354703032 /nfs/dbraw/zinc/70/30/32/354703032.db2.gz WTUDYZNXGRUPQT-CHWSQXEVSA-N 2 1 296.415 -0.025 20 0 CBADMP O=C(COC1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000564571214 354713765 /nfs/dbraw/zinc/71/37/65/354713765.db2.gz KOYHVFOMQDCFQY-SNVBAGLBSA-N 2 1 277.315 -0.180 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)COC1CC[NH2+]CC1 ZINC000564910053 354720525 /nfs/dbraw/zinc/72/05/25/354720525.db2.gz VNZJWFYURRXMTH-UHFFFAOYSA-N 2 1 287.404 -0.161 20 0 CBADMP COC1(C(=O)NCC[N@@H+]2CCCOCC2)CC[NH2+]CC1 ZINC000564994365 354725557 /nfs/dbraw/zinc/72/55/57/354725557.db2.gz QPRGLKKYXXYAHU-UHFFFAOYSA-N 2 1 285.388 -0.407 20 0 CBADMP COC1(C(=O)NCC[N@H+]2CCCOCC2)CC[NH2+]CC1 ZINC000564994365 354725561 /nfs/dbraw/zinc/72/55/61/354725561.db2.gz QPRGLKKYXXYAHU-UHFFFAOYSA-N 2 1 285.388 -0.407 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C2([NH3+])CCC2)CC1 ZINC000565032998 354726370 /nfs/dbraw/zinc/72/63/70/354726370.db2.gz PUZOEIXDFAHANR-UHFFFAOYSA-N 2 1 268.361 -0.852 20 0 CBADMP COCC1=CC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000547806539 354669364 /nfs/dbraw/zinc/66/93/64/354669364.db2.gz KZJFKQATWFZNJI-ZDUSSCGKSA-N 2 1 295.383 -0.046 20 0 CBADMP COCC1=CC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000547806539 354669368 /nfs/dbraw/zinc/66/93/68/354669368.db2.gz KZJFKQATWFZNJI-ZDUSSCGKSA-N 2 1 295.383 -0.046 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000565930929 354748408 /nfs/dbraw/zinc/74/84/08/354748408.db2.gz ZXGXOLUJJDKILU-CABCVRRESA-N 2 1 285.432 -0.047 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](C[NH3+])OC)CC1 ZINC000566007802 354749797 /nfs/dbraw/zinc/74/97/97/354749797.db2.gz SOMSIZOORIGMIB-MNOVXSKESA-N 2 1 287.360 -0.944 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC(=O)OC)C1 ZINC000566194121 354756189 /nfs/dbraw/zinc/75/61/89/354756189.db2.gz ZCBWLJIZMISIAR-ZJUUUORDSA-N 2 1 257.334 -0.665 20 0 CBADMP C[C@H](C(=O)N1CC[NH2+]C[C@H]1C)N1CC[NH+](C)CC1 ZINC000566248684 354760054 /nfs/dbraw/zinc/76/00/54/354760054.db2.gz HZGFAZHSHXRGFS-VXGBXAGGSA-N 2 1 254.378 -0.557 20 0 CBADMP [NH3+]CCCn1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)nn1 ZINC000566289084 354762033 /nfs/dbraw/zinc/76/20/33/354762033.db2.gz VPPADNRUVFHICC-DGCLKSJQSA-N 2 1 292.387 -0.017 20 0 CBADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000567613900 354791410 /nfs/dbraw/zinc/79/14/10/354791410.db2.gz SSUNPSPVUAQLHY-XQHKEYJVSA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000566511615 354769975 /nfs/dbraw/zinc/76/99/75/354769975.db2.gz WTONFCMSXDFDTO-JFGNBEQYSA-N 2 1 280.372 -0.937 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000566680224 354772965 /nfs/dbraw/zinc/77/29/65/354772965.db2.gz BAIZTFZSJSXPRM-ZDUSSCGKSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H](C)O ZINC000566792101 354774672 /nfs/dbraw/zinc/77/46/72/354774672.db2.gz KLVAUBSGPYSZHI-WOPDTQHZSA-N 2 1 257.378 -0.067 20 0 CBADMP O=C([C@@H]1CSC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000566859284 354776322 /nfs/dbraw/zinc/77/63/22/354776322.db2.gz RSTOYAOGOMPEEY-MNOVXSKESA-N 2 1 270.402 -0.845 20 0 CBADMP O[C@@]1(C(F)(F)F)CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000566856298 354776357 /nfs/dbraw/zinc/77/63/57/354776357.db2.gz WCKJNNDGWVLTPC-JTQLQIEISA-N 2 1 267.295 -0.109 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)CC[NH+]1CCN(CC)CC1 ZINC000566916890 354777202 /nfs/dbraw/zinc/77/72/02/354777202.db2.gz CYNQAZWPSZVPSA-GFCCVEGCSA-N 2 1 256.394 -0.133 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000567096266 354780714 /nfs/dbraw/zinc/78/07/14/354780714.db2.gz LESFQKBCMYEMDS-KWCYVHTRSA-N 2 1 295.431 -0.247 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000567111502 354781549 /nfs/dbraw/zinc/78/15/49/354781549.db2.gz CAKBVNUJMLUZHS-GRYCIOLGSA-N 2 1 283.372 -0.181 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000565373129 354737218 /nfs/dbraw/zinc/73/72/18/354737218.db2.gz NKZFOOOVADLCAL-GFCCVEGCSA-N 2 1 255.362 -0.035 20 0 CBADMP COCCN1CCC[N@H+](CCN2CC[NH2+]CC2)CC1=O ZINC000565599219 354742323 /nfs/dbraw/zinc/74/23/23/354742323.db2.gz RVFOYGVSEQEZBS-UHFFFAOYSA-N 2 1 284.404 -0.928 20 0 CBADMP COCCN1CCC[N@@H+](CCN2CC[NH2+]CC2)CC1=O ZINC000565599219 354742325 /nfs/dbraw/zinc/74/23/25/354742325.db2.gz RVFOYGVSEQEZBS-UHFFFAOYSA-N 2 1 284.404 -0.928 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000565718524 354744944 /nfs/dbraw/zinc/74/49/44/354744944.db2.gz JUGUZTLWEVHAHZ-UTUOFQBUSA-N 2 1 255.362 -0.192 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000567805587 354797949 /nfs/dbraw/zinc/79/79/49/354797949.db2.gz NBYGGFLTZURRRJ-SNVBAGLBSA-N 2 1 266.349 -0.597 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000567805587 354797952 /nfs/dbraw/zinc/79/79/52/354797952.db2.gz NBYGGFLTZURRRJ-SNVBAGLBSA-N 2 1 266.349 -0.597 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000567838135 354799984 /nfs/dbraw/zinc/79/99/84/354799984.db2.gz PCQLDZKWIUJSOE-NEPJUHHUSA-N 2 1 264.329 -0.472 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000567843253 354800786 /nfs/dbraw/zinc/80/07/86/354800786.db2.gz SAQHOHBIWDRESQ-NEPJUHHUSA-N 2 1 271.361 -0.717 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000567843253 354800789 /nfs/dbraw/zinc/80/07/89/354800789.db2.gz SAQHOHBIWDRESQ-NEPJUHHUSA-N 2 1 271.361 -0.717 20 0 CBADMP C[N@@H+](C[C@@H](O)CNC[C@H]1CCCC[NH+]1CCO)C1CC1 ZINC000567872825 354802012 /nfs/dbraw/zinc/80/20/12/354802012.db2.gz IBHAWZXRWAWCNR-CABCVRRESA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@@H](O)CNC[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000567872825 354802013 /nfs/dbraw/zinc/80/20/13/354802013.db2.gz IBHAWZXRWAWCNR-CABCVRRESA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@@H](O)CNC[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000567872825 354802014 /nfs/dbraw/zinc/80/20/14/354802014.db2.gz IBHAWZXRWAWCNR-CABCVRRESA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]CCC(=O)Nc1ccc(C)cn1 ZINC000567875579 354802674 /nfs/dbraw/zinc/80/26/74/354802674.db2.gz HORDARWSBVJQQK-NSHDSACASA-N 2 1 266.345 -0.111 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000567983179 354807109 /nfs/dbraw/zinc/80/71/09/354807109.db2.gz WPKAPSYQGFXCRE-BETUJISGSA-N 2 1 268.405 -0.133 20 0 CBADMP C[C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)CN1CC[NH+](C)CC1 ZINC000568095065 354810529 /nfs/dbraw/zinc/81/05/29/354810529.db2.gz XSLBHLANEMVKAJ-GUTXKFCHSA-N 2 1 280.416 -0.262 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000568231008 354816505 /nfs/dbraw/zinc/81/65/05/354816505.db2.gz JJWPHXJDIBBPNN-WDEREUQCSA-N 2 1 268.361 -0.983 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(=O)n(C)c1=O ZINC000568268959 354819051 /nfs/dbraw/zinc/81/90/51/354819051.db2.gz QLAHIBPZBVEIBE-OAHLLOKOSA-N 2 1 292.383 -0.341 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000568292728 354820136 /nfs/dbraw/zinc/82/01/36/354820136.db2.gz ULUICGXZCKTQMZ-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000568293820 354821159 /nfs/dbraw/zinc/82/11/59/354821159.db2.gz GCKQQEDUIWQFOG-KGLIPLIRSA-N 2 1 297.447 -0.079 20 0 CBADMP C[C@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCN1 ZINC000568391624 354823597 /nfs/dbraw/zinc/82/35/97/354823597.db2.gz HKUHWRCKJCNLGX-RYUDHWBXSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCN1 ZINC000568391624 354823602 /nfs/dbraw/zinc/82/36/02/354823602.db2.gz HKUHWRCKJCNLGX-RYUDHWBXSA-N 2 1 254.378 -0.523 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000568750018 354830559 /nfs/dbraw/zinc/83/05/59/354830559.db2.gz RNHXUNLXXQPTME-MGPQQGTHSA-N 3 1 280.416 -0.275 20 0 CBADMP [NH3+]C1(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000568763256 354831552 /nfs/dbraw/zinc/83/15/52/354831552.db2.gz NROJEPPKYSOEDE-UHFFFAOYSA-N 2 1 266.389 -0.190 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000570666011 354867336 /nfs/dbraw/zinc/86/73/36/354867336.db2.gz SKXKQVNUPRVBTN-NEPJUHHUSA-N 2 1 270.377 -0.242 20 0 CBADMP CN(C[C@H](O)C[NH2+][C@@H](CO)Cc1cnn(C)c1)C1CC1 ZINC000570803388 354869392 /nfs/dbraw/zinc/86/93/92/354869392.db2.gz QMPGCQHSECWZAI-TZMCWYRMSA-N 2 1 282.388 -0.632 20 0 CBADMP C(C[NH+]1CCC(CN2CCOCC2)CC1)N1CC[NH2+]CC1 ZINC000570931189 354872736 /nfs/dbraw/zinc/87/27/36/354872736.db2.gz GEHVDIIHYVETAJ-UHFFFAOYSA-N 2 1 296.459 -0.064 20 0 CBADMP CNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000570928665 354872891 /nfs/dbraw/zinc/87/28/91/354872891.db2.gz SGXVXYXGVNZQIY-JTQLQIEISA-N 2 1 256.350 -0.948 20 0 CBADMP CNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000570928665 354872892 /nfs/dbraw/zinc/87/28/92/354872892.db2.gz SGXVXYXGVNZQIY-JTQLQIEISA-N 2 1 256.350 -0.948 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)CC[C@H]1[NH3+] ZINC000571047365 354876069 /nfs/dbraw/zinc/87/60/69/354876069.db2.gz VAFLOCMOXHSTNJ-QWHCGFSZSA-N 3 1 268.405 -0.180 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC[C@H]1[NH3+] ZINC000571047365 354876078 /nfs/dbraw/zinc/87/60/78/354876078.db2.gz VAFLOCMOXHSTNJ-QWHCGFSZSA-N 3 1 268.405 -0.180 20 0 CBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)c1ccco1 ZINC000569678060 354843037 /nfs/dbraw/zinc/84/30/37/354843037.db2.gz PWGRUQFCVRECND-JTQLQIEISA-N 2 1 280.328 -0.914 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000569844851 354848085 /nfs/dbraw/zinc/84/80/85/354848085.db2.gz BVAFHRZNSLBNNL-QWHCGFSZSA-N 2 1 296.415 -0.003 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000571762754 354878858 /nfs/dbraw/zinc/87/88/58/354878858.db2.gz KUBREEMTWORYFJ-QWHCGFSZSA-N 3 1 268.405 -0.227 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000571762749 354878872 /nfs/dbraw/zinc/87/88/72/354878872.db2.gz KUBREEMTWORYFJ-OLZOCXBDSA-N 3 1 268.405 -0.227 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[C@H](C)[N@H+]1C ZINC000570199131 354856996 /nfs/dbraw/zinc/85/69/96/354856996.db2.gz NBPYCGDXVYZCSZ-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000570199131 354856999 /nfs/dbraw/zinc/85/69/99/354856999.db2.gz NBPYCGDXVYZCSZ-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000571755558 354879023 /nfs/dbraw/zinc/87/90/23/354879023.db2.gz HAWRIJDGOZIRPR-ZYHUDNBSSA-N 2 1 293.433 -0.641 20 0 CBADMP CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000571755558 354879024 /nfs/dbraw/zinc/87/90/24/354879024.db2.gz HAWRIJDGOZIRPR-ZYHUDNBSSA-N 2 1 293.433 -0.641 20 0 CBADMP CCN(C)C(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570345005 354860378 /nfs/dbraw/zinc/86/03/78/354860378.db2.gz COVCZTFRHOQGPY-MNOVXSKESA-N 2 1 268.361 -0.901 20 0 CBADMP CCN(C)C(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570345005 354860379 /nfs/dbraw/zinc/86/03/79/354860379.db2.gz COVCZTFRHOQGPY-MNOVXSKESA-N 2 1 268.361 -0.901 20 0 CBADMP CCN(C)C(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570345004 354860429 /nfs/dbraw/zinc/86/04/29/354860429.db2.gz COVCZTFRHOQGPY-GHMZBOCLSA-N 2 1 268.361 -0.901 20 0 CBADMP CCN(C)C(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570345004 354860432 /nfs/dbraw/zinc/86/04/32/354860432.db2.gz COVCZTFRHOQGPY-GHMZBOCLSA-N 2 1 268.361 -0.901 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000570426624 354861130 /nfs/dbraw/zinc/86/11/30/354861130.db2.gz KSEXKMZVRKPQNL-NSHDSACASA-N 2 1 282.388 -0.689 20 0 CBADMP CN1CCN(C(=O)NCC[N@@H+](C)C2CC2)[C@H](C[NH3+])C1 ZINC000570424683 354861221 /nfs/dbraw/zinc/86/12/21/354861221.db2.gz GENXVEILAASDBI-GFCCVEGCSA-N 3 1 269.393 -0.635 20 0 CBADMP Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000570437789 354862052 /nfs/dbraw/zinc/86/20/52/354862052.db2.gz CASAUAQIHQCGSW-AAEUAGOBSA-N 2 1 279.388 -0.054 20 0 CBADMP Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)CC2 ZINC000570437789 354862053 /nfs/dbraw/zinc/86/20/53/354862053.db2.gz CASAUAQIHQCGSW-AAEUAGOBSA-N 2 1 279.388 -0.054 20 0 CBADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)CN1CCOCC1 ZINC000570444897 354862289 /nfs/dbraw/zinc/86/22/89/354862289.db2.gz ZLFPSKFQGPUTPP-HNNXBMFYSA-N 2 1 283.416 -0.104 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000571778520 354879938 /nfs/dbraw/zinc/87/99/38/354879938.db2.gz MKWXPCDPBYTUOH-CMPLNLGQSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[N@H+]1CCN(C[C@@H](O)C[NH+](C)CCOC)[C@@H](C)C1 ZINC000570580457 354864926 /nfs/dbraw/zinc/86/49/26/354864926.db2.gz XDUBJHRCGKKYAA-KBPBESRZSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+]1CCN(C[C@@H](O)C[N@H+](C)CCOC)[C@@H](C)C1 ZINC000570580457 354864929 /nfs/dbraw/zinc/86/49/29/354864929.db2.gz XDUBJHRCGKKYAA-KBPBESRZSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)[C@@H](C)C1 ZINC000570580457 354864930 /nfs/dbraw/zinc/86/49/30/354864930.db2.gz XDUBJHRCGKKYAA-KBPBESRZSA-N 2 1 273.421 -0.049 20 0 CBADMP CNS(=O)(=O)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000570632618 354866130 /nfs/dbraw/zinc/86/61/30/354866130.db2.gz UXKPXZDDUZMSFU-GFCCVEGCSA-N 2 1 275.418 0.000 20 0 CBADMP C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000570630575 354866157 /nfs/dbraw/zinc/86/61/57/354866157.db2.gz BSRXFFKAPPIFTQ-LBPRGKRZSA-N 2 1 255.362 -0.035 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000572117308 354886130 /nfs/dbraw/zinc/88/61/30/354886130.db2.gz AXNWUNRXKCCOSN-LLVKDONJSA-N 2 1 271.361 -0.181 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000572133541 354887211 /nfs/dbraw/zinc/88/72/11/354887211.db2.gz FPEZXMZQENQZBB-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CN1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)[C@H](C[NH3+])C1 ZINC000572134356 354887399 /nfs/dbraw/zinc/88/73/99/354887399.db2.gz HCCZGQYZFGFYDZ-VXGBXAGGSA-N 2 1 269.393 -0.635 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000572242021 354889177 /nfs/dbraw/zinc/88/91/77/354889177.db2.gz VGEVKUFFFJFEIK-ZYHUDNBSSA-N 2 1 259.325 -0.475 20 0 CBADMP C[N@H+]1CCN(CC[NH2+]CCC(=O)NC(N)=O)CC1(C)C ZINC000572753081 354897090 /nfs/dbraw/zinc/89/70/90/354897090.db2.gz XBAUCFFBBBQKAK-UHFFFAOYSA-N 2 1 285.392 -0.813 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2(C)C[NH2+]C2)[C@H](C)C1 ZINC000573110791 354904634 /nfs/dbraw/zinc/90/46/34/354904634.db2.gz CEUXPRNDLZEPRP-LLVKDONJSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)C2(C)C[NH2+]C2)[C@H](C)C1 ZINC000573110791 354904638 /nfs/dbraw/zinc/90/46/38/354904638.db2.gz CEUXPRNDLZEPRP-LLVKDONJSA-N 2 1 283.372 -0.308 20 0 CBADMP c1cnc(N[C@H]2CC[N@H+](CCN3CC[NH2+]CC3)C2)nc1 ZINC000573091740 354905164 /nfs/dbraw/zinc/90/51/64/354905164.db2.gz UEOWWXOHOYCYMR-ZDUSSCGKSA-N 2 1 276.388 -0.132 20 0 CBADMP COC(=O)[C@@H]1CN(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000573220104 354907906 /nfs/dbraw/zinc/90/79/06/354907906.db2.gz YBUJLXSTYAOMHD-QWHCGFSZSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+](C)C1 ZINC000573220104 354907918 /nfs/dbraw/zinc/90/79/18/354907918.db2.gz YBUJLXSTYAOMHD-QWHCGFSZSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+](C)C1 ZINC000573220104 354907924 /nfs/dbraw/zinc/90/79/24/354907924.db2.gz YBUJLXSTYAOMHD-QWHCGFSZSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+](C)C1 ZINC000573220104 354907930 /nfs/dbraw/zinc/90/79/30/354907930.db2.gz YBUJLXSTYAOMHD-QWHCGFSZSA-N 2 1 297.399 -0.109 20 0 CBADMP Cc1n[nH]c(C)c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000573221005 354907946 /nfs/dbraw/zinc/90/79/46/354907946.db2.gz WVOZMNLFKSHQIP-CMPLNLGQSA-N 2 1 263.345 -0.230 20 0 CBADMP Cc1n[nH]c(C)c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000573221005 354907951 /nfs/dbraw/zinc/90/79/51/354907951.db2.gz WVOZMNLFKSHQIP-CMPLNLGQSA-N 2 1 263.345 -0.230 20 0 CBADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000573248728 354909342 /nfs/dbraw/zinc/90/93/42/354909342.db2.gz GLHNWZBGPQKABF-KBPBESRZSA-N 3 1 252.406 -0.035 20 0 CBADMP C([C@H]1CCC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000573248728 354909343 /nfs/dbraw/zinc/90/93/43/354909343.db2.gz GLHNWZBGPQKABF-KBPBESRZSA-N 2 1 252.406 -0.035 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000571882590 354882470 /nfs/dbraw/zinc/88/24/70/354882470.db2.gz LMOLADRPHLGOBV-VXGBXAGGSA-N 2 1 255.362 -0.048 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000573724100 354919615 /nfs/dbraw/zinc/91/96/15/354919615.db2.gz QJQNVIPDWCXUPC-RYUDHWBXSA-N 2 1 254.378 -0.510 20 0 CBADMP COCC[NH+]1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000573914042 354924085 /nfs/dbraw/zinc/92/40/85/354924085.db2.gz PXZCFWVHZJQLIR-AWEZNQCLSA-N 2 1 282.388 -0.056 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000573864606 354924387 /nfs/dbraw/zinc/92/43/87/354924387.db2.gz RNMUARUDDYYJMU-DCAQKATOSA-N 2 1 280.372 -0.794 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000575123746 354934543 /nfs/dbraw/zinc/93/45/43/354934543.db2.gz WMCSRPXKRNYOOJ-BJDJZHNGSA-N 2 1 296.415 -0.030 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000578638551 354950485 /nfs/dbraw/zinc/95/04/85/354950485.db2.gz LKYZTIREAQNZNL-FVCCEPFGSA-N 2 1 267.373 -0.097 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000578651678 354951360 /nfs/dbraw/zinc/95/13/60/354951360.db2.gz GLYLYPGZCILTPL-GHMZBOCLSA-N 2 1 295.387 -0.060 20 0 CBADMP O=C(NC[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000578770315 354954300 /nfs/dbraw/zinc/95/43/00/354954300.db2.gz PLAKQIFFFYOSNP-AVGNSLFASA-N 2 1 294.399 -0.545 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CC[C@H](C(N)=O)C1)C1CC1 ZINC000578859056 354956312 /nfs/dbraw/zinc/95/63/12/354956312.db2.gz GIZWXRQXYJFWNA-UMNHJUIQSA-N 2 1 255.362 -0.315 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CC[C@H](C(N)=O)C1)C1CC1 ZINC000578859056 354956314 /nfs/dbraw/zinc/95/63/14/354956314.db2.gz GIZWXRQXYJFWNA-UMNHJUIQSA-N 2 1 255.362 -0.315 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000579109885 354962128 /nfs/dbraw/zinc/96/21/28/354962128.db2.gz SZNWUMKFJBIFFB-XQQFMLRXSA-N 2 1 294.399 -0.783 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579122739 354962926 /nfs/dbraw/zinc/96/29/26/354962926.db2.gz KTXVMFDBACACNZ-CHWSQXEVSA-N 2 1 268.405 -0.180 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000579122739 354962931 /nfs/dbraw/zinc/96/29/31/354962931.db2.gz KTXVMFDBACACNZ-CHWSQXEVSA-N 3 1 268.405 -0.180 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000579122739 354962935 /nfs/dbraw/zinc/96/29/35/354962935.db2.gz KTXVMFDBACACNZ-CHWSQXEVSA-N 3 1 268.405 -0.180 20 0 CBADMP O=C(CCOC1C[NH2+]C1)NCC[N@@H+]1CC=CCC1 ZINC000579120629 354963264 /nfs/dbraw/zinc/96/32/64/354963264.db2.gz JZMJLSOBQPJDLQ-UHFFFAOYSA-N 2 1 253.346 -0.257 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000579251712 354965999 /nfs/dbraw/zinc/96/59/99/354965999.db2.gz HGQUKNZTFOHACA-NSHDSACASA-N 2 1 270.377 -0.783 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000579474796 354971414 /nfs/dbraw/zinc/97/14/14/354971414.db2.gz OCUFXJGLPCQNLE-VXGBXAGGSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000579492987 354972588 /nfs/dbraw/zinc/97/25/88/354972588.db2.gz WPCHVFXZNFYNBL-RNJOBUHISA-N 2 1 269.389 -0.008 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000579592464 354974271 /nfs/dbraw/zinc/97/42/71/354974271.db2.gz UVTGGYLUVSWHGA-NXEZZACHSA-N 2 1 281.360 -0.450 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000579692526 354977039 /nfs/dbraw/zinc/97/70/39/354977039.db2.gz GAGOHXHEUXZHLD-JQWIXIFHSA-N 2 1 280.372 -0.983 20 0 CBADMP 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 354980197 /nfs/dbraw/zinc/98/01/97/354980197.db2.gz MZKDOZOUTTZUQW-FPQZTECRSA-N 2 1 294.399 -0.609 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CCO)[C@H](C)C1 ZINC000579854652 354982420 /nfs/dbraw/zinc/98/24/20/354982420.db2.gz HPUGAPUUDKFKCR-OLZOCXBDSA-N 2 1 259.394 -0.703 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000579854652 354982422 /nfs/dbraw/zinc/98/24/22/354982422.db2.gz HPUGAPUUDKFKCR-OLZOCXBDSA-N 2 1 259.394 -0.703 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000580098022 354989112 /nfs/dbraw/zinc/98/91/12/354989112.db2.gz WTZBHCZQZJRXMY-AVGNSLFASA-N 2 1 294.399 -0.593 20 0 CBADMP CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H](C[NH3+])C1 ZINC000580299702 354991685 /nfs/dbraw/zinc/99/16/85/354991685.db2.gz DHRGMMDAFRKWAC-BFHYXJOUSA-N 2 1 295.431 -0.103 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000580841336 354999710 /nfs/dbraw/zinc/99/97/10/354999710.db2.gz MTJKNXBBDVVLKV-STQMWFEESA-N 2 1 259.394 -0.703 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000584598419 355032718 /nfs/dbraw/zinc/03/27/18/355032718.db2.gz HUMQPZCFQJHFTF-KBPBESRZSA-N 2 1 298.431 -0.458 20 0 CBADMP C[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)N1CC[NH+](C)CC1 ZINC000584604361 355033714 /nfs/dbraw/zinc/03/37/14/355033714.db2.gz MNTJKILIBVOHCN-UPJWGTAASA-N 2 1 268.405 -0.169 20 0 CBADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000581013723 355004483 /nfs/dbraw/zinc/00/44/83/355004483.db2.gz FBEINARTNSOADB-AWEZNQCLSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000582062769 355006488 /nfs/dbraw/zinc/00/64/88/355006488.db2.gz AINZPYZNBHPWGY-RVMXOQNASA-N 2 1 296.415 -0.029 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000582074287 355007811 /nfs/dbraw/zinc/00/78/11/355007811.db2.gz NXSGZAWLUHYMPL-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP O=C(NCC[N@@H+]1CC=CCC1)NC[C@H]1C[NH2+]CCO1 ZINC000583683420 355022636 /nfs/dbraw/zinc/02/26/36/355022636.db2.gz QYUYIDHPCNSELF-GFCCVEGCSA-N 2 1 268.361 -0.464 20 0 CBADMP CSC[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000591734983 355112327 /nfs/dbraw/zinc/11/23/27/355112327.db2.gz FYAOQXGFEHITEZ-NEPJUHHUSA-N 2 1 289.445 -0.113 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H](C)[NH3+])[C@@H](C)C1 ZINC000591361323 355094218 /nfs/dbraw/zinc/09/42/18/355094218.db2.gz UCMXCQDGSIVYHY-QWRGUYRKSA-N 2 1 286.376 -0.388 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H](C)[NH3+])[C@@H](C)C1 ZINC000591361323 355094221 /nfs/dbraw/zinc/09/42/21/355094221.db2.gz UCMXCQDGSIVYHY-QWRGUYRKSA-N 2 1 286.376 -0.388 20 0 CBADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000591427683 355095616 /nfs/dbraw/zinc/09/56/16/355095616.db2.gz JSEFJGIDXHNKLH-GFCCVEGCSA-N 2 1 282.388 -0.830 20 0 CBADMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(=O)NC(N)=O)CCO2 ZINC000592183767 355136460 /nfs/dbraw/zinc/13/64/60/355136460.db2.gz WTPNQBVWRKHIMC-UHFFFAOYSA-N 2 1 284.360 -0.632 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+](C)C1 ZINC000592806011 355172603 /nfs/dbraw/zinc/17/26/03/355172603.db2.gz GWUXHCNPCRHNJT-FRRDWIJNSA-N 2 1 297.399 -0.110 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+](C)C1 ZINC000592806011 355172606 /nfs/dbraw/zinc/17/26/06/355172606.db2.gz GWUXHCNPCRHNJT-FRRDWIJNSA-N 2 1 297.399 -0.110 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+](C)C1 ZINC000592806011 355172609 /nfs/dbraw/zinc/17/26/09/355172609.db2.gz GWUXHCNPCRHNJT-FRRDWIJNSA-N 2 1 297.399 -0.110 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592964076 355187542 /nfs/dbraw/zinc/18/75/42/355187542.db2.gz NXEOYQBTBFASBO-LLVKDONJSA-N 2 1 271.361 -0.308 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000592960362 355187867 /nfs/dbraw/zinc/18/78/67/355187867.db2.gz YVROBXPGWJENRI-SDDRHHMPSA-N 2 1 283.372 -0.038 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000592960362 355187870 /nfs/dbraw/zinc/18/78/70/355187870.db2.gz YVROBXPGWJENRI-SDDRHHMPSA-N 2 1 283.372 -0.038 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCCN1CCC[NH+]1CCOCC1 ZINC000592984078 355188686 /nfs/dbraw/zinc/18/86/86/355188686.db2.gz GRXUKDYQWYQWFB-ZDUSSCGKSA-N 2 1 285.388 -0.454 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)CC1 ZINC000593098902 355194113 /nfs/dbraw/zinc/19/41/13/355194113.db2.gz FEYRDIAUOOSVCB-SYTFOFBDSA-N 2 1 285.413 -0.644 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)CC1 ZINC000593098902 355194114 /nfs/dbraw/zinc/19/41/14/355194114.db2.gz FEYRDIAUOOSVCB-SYTFOFBDSA-N 2 1 285.413 -0.644 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCCCC1 ZINC000593919100 355231728 /nfs/dbraw/zinc/23/17/28/355231728.db2.gz OHWBTWFAGBWJTO-NSHDSACASA-N 2 1 271.361 -0.179 20 0 CBADMP NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593728680 355217729 /nfs/dbraw/zinc/21/77/29/355217729.db2.gz CHUGURCVTJGPRM-MXWKQRLJSA-N 2 1 284.360 -0.458 20 0 CBADMP Cc1cc(C)n(CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000594875035 355265760 /nfs/dbraw/zinc/26/57/60/355265760.db2.gz KRPRUXNPVAPMMZ-QWHCGFSZSA-N 2 1 277.372 -0.256 20 0 CBADMP Cc1cc(C)n(CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000594875035 355265761 /nfs/dbraw/zinc/26/57/61/355265761.db2.gz KRPRUXNPVAPMMZ-QWHCGFSZSA-N 2 1 277.372 -0.256 20 0 CBADMP CC(C)COCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594876216 355266740 /nfs/dbraw/zinc/26/67/40/355266740.db2.gz JRNJPYCMJSNFBH-VXGBXAGGSA-N 2 1 255.362 -0.097 20 0 CBADMP CC(C)COCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594876216 355266742 /nfs/dbraw/zinc/26/67/42/355266742.db2.gz JRNJPYCMJSNFBH-VXGBXAGGSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[N@H+]1C ZINC000594877966 355266752 /nfs/dbraw/zinc/26/67/52/355266752.db2.gz ITOWAGBRVOUPGX-KKOKHZNYSA-N 2 1 280.372 -0.903 20 0 CBADMP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000594918920 355268912 /nfs/dbraw/zinc/26/89/12/355268912.db2.gz CEOFLAWTDMNJJA-RWMBFGLXSA-N 2 1 297.399 -0.062 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000594943442 355269941 /nfs/dbraw/zinc/26/99/41/355269941.db2.gz DWUXHOBXWCUMGW-PRULPYPASA-N 2 1 256.346 -0.160 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000594943442 355269942 /nfs/dbraw/zinc/26/99/42/355269942.db2.gz DWUXHOBXWCUMGW-PRULPYPASA-N 2 1 256.346 -0.160 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000595905575 355317633 /nfs/dbraw/zinc/31/76/33/355317633.db2.gz VTQOBFYAAWCBAV-TXEJJXNPSA-N 2 1 255.362 -0.225 20 0 CBADMP COC[C@]1(C(=O)OC)CCC[N@@H+]1CCOCC[NH3+] ZINC000595904991 355317689 /nfs/dbraw/zinc/31/76/89/355317689.db2.gz NUNMGRJBKHZUEU-LBPRGKRZSA-N 2 1 260.334 -0.384 20 0 CBADMP COC[C@]1(C(=O)OC)CCC[N@H+]1CCOCC[NH3+] ZINC000595904991 355317690 /nfs/dbraw/zinc/31/76/90/355317690.db2.gz NUNMGRJBKHZUEU-LBPRGKRZSA-N 2 1 260.334 -0.384 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000595944527 355324425 /nfs/dbraw/zinc/32/44/25/355324425.db2.gz MDEGUYFSPSDXFE-QWRGUYRKSA-N 2 1 271.361 -0.133 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CC2([NH3+])CC2)[C@@H](C)C1 ZINC000595957499 355329093 /nfs/dbraw/zinc/32/90/93/355329093.db2.gz VCMBBHZLGDWPFD-NSHDSACASA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)CC2([NH3+])CC2)[C@@H](C)C1 ZINC000595957499 355329098 /nfs/dbraw/zinc/32/90/98/355329098.db2.gz VCMBBHZLGDWPFD-NSHDSACASA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000596068158 355340885 /nfs/dbraw/zinc/34/08/85/355340885.db2.gz VAIBSKGEAUEWOX-NHCYSSNCSA-N 2 1 256.346 -0.017 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000596068158 355340886 /nfs/dbraw/zinc/34/08/86/355340886.db2.gz VAIBSKGEAUEWOX-NHCYSSNCSA-N 2 1 256.346 -0.017 20 0 CBADMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000596106137 355344089 /nfs/dbraw/zinc/34/40/89/355344089.db2.gz PQPNPZLXTRWLCL-LPWJVIDDSA-N 3 1 266.389 -0.524 20 0 CBADMP CSC1(CNc2nc(N)nc(N)[nH+]2)CC[NH+](C)CC1 ZINC000599084328 355462585 /nfs/dbraw/zinc/46/25/85/355462585.db2.gz APYHSFMPZGIIKN-UHFFFAOYSA-N 2 1 283.405 -0.642 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000599936618 355519959 /nfs/dbraw/zinc/51/99/59/355519959.db2.gz YICVVANITBOGQS-SRVKXCTJSA-N 2 1 295.387 -0.966 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000600730874 355563170 /nfs/dbraw/zinc/56/31/70/355563170.db2.gz NTKUDBBUECHQMD-LLVKDONJSA-N 2 1 288.392 -0.223 20 0 CBADMP COC(=O)COCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000600761585 355566113 /nfs/dbraw/zinc/56/61/13/355566113.db2.gz MFBMLOHWIFDZTR-LLVKDONJSA-N 2 1 260.334 -0.778 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C[N@H+]1C1CC1 ZINC000419324558 291069333 /nfs/dbraw/zinc/06/93/33/291069333.db2.gz VRQAZFBAGZQEMT-WDEREUQCSA-N 2 1 294.399 -0.275 20 0 CBADMP C[C@H](CNC(=O)CN1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000600949304 355571041 /nfs/dbraw/zinc/57/10/41/355571041.db2.gz QZWCJPITRKTSME-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)CN1CC[NH+](C)CC1)C1CC1 ZINC000600962348 355572510 /nfs/dbraw/zinc/57/25/10/355572510.db2.gz VPGLYJZNNNEYMU-CYBMUJFWSA-N 2 1 268.405 -0.310 20 0 CBADMP Cn1nccc1CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000601964740 355621910 /nfs/dbraw/zinc/62/19/10/355621910.db2.gz SAYSOEVJEGMKKR-NEPJUHHUSA-N 2 1 263.345 -0.794 20 0 CBADMP Cn1nccc1CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000601964740 355621914 /nfs/dbraw/zinc/62/19/14/355621914.db2.gz SAYSOEVJEGMKKR-NEPJUHHUSA-N 2 1 263.345 -0.794 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612881187 355855101 /nfs/dbraw/zinc/85/51/01/355855101.db2.gz ZCWFOJLJXKIHHK-DGCLKSJQSA-N 2 1 269.393 -0.717 20 0 CBADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000614068452 355933842 /nfs/dbraw/zinc/93/38/42/355933842.db2.gz NJTBZRNDUHZPSQ-GXTWGEPZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](C)C[C@H](CO)NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000614845385 355988119 /nfs/dbraw/zinc/98/81/19/355988119.db2.gz CNXHBWHGLNXECG-GHMZBOCLSA-N 2 1 275.418 -0.538 20 0 CBADMP C[NH+](C)C[C@H](CO)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000614841333 355988374 /nfs/dbraw/zinc/98/83/74/355988374.db2.gz DZBRDXATOBXDOK-GFCCVEGCSA-N 2 1 289.339 -0.080 20 0 CBADMP C[NH+](C)C[C@@H](CO)NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000614845394 355989516 /nfs/dbraw/zinc/98/95/16/355989516.db2.gz CNXHBWHGLNXECG-WDEREUQCSA-N 2 1 275.418 -0.538 20 0 CBADMP C[C@@H](CCNC(=O)CN1CC[NH+](C)CC1)[NH+](C)C ZINC000617753686 356154702 /nfs/dbraw/zinc/15/47/02/356154702.db2.gz IGBXNXODCZOBKY-LBPRGKRZSA-N 2 1 256.394 -0.310 20 0 CBADMP CN(CC1C[NH+](C)C1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000618191896 356179714 /nfs/dbraw/zinc/17/97/14/356179714.db2.gz WMUJNWUOOIPJCM-CYBMUJFWSA-N 2 1 266.389 -0.604 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC(=O)N1C ZINC000617507411 356139021 /nfs/dbraw/zinc/13/90/21/356139021.db2.gz VTADKZJLQJPGKO-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC(=O)N1C ZINC000617507411 356139024 /nfs/dbraw/zinc/13/90/24/356139024.db2.gz VTADKZJLQJPGKO-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N1 ZINC000617502576 356139055 /nfs/dbraw/zinc/13/90/55/356139055.db2.gz UZYKCRGCYZTRLY-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N1 ZINC000617502576 356139058 /nfs/dbraw/zinc/13/90/58/356139058.db2.gz UZYKCRGCYZTRLY-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(=O)N1C ZINC000617507410 356139253 /nfs/dbraw/zinc/13/92/53/356139253.db2.gz VTADKZJLQJPGKO-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(=O)N1C ZINC000617507410 356139256 /nfs/dbraw/zinc/13/92/56/356139256.db2.gz VTADKZJLQJPGKO-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CNC(N)=O ZINC000617503704 356139513 /nfs/dbraw/zinc/13/95/13/356139513.db2.gz VOCZVBGOYJEBGV-JTQLQIEISA-N 2 1 273.381 -0.957 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CNC(N)=O ZINC000617503704 356139516 /nfs/dbraw/zinc/13/95/16/356139516.db2.gz VOCZVBGOYJEBGV-JTQLQIEISA-N 2 1 273.381 -0.957 20 0 CBADMP CCN(C(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@H]1CC[N@@H+](C)C1 ZINC000617553679 356141450 /nfs/dbraw/zinc/14/14/50/356141450.db2.gz NXZJSFVEYOIWHC-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP CCN(C(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1CC[NH+](C)C1 ZINC000617553679 356141453 /nfs/dbraw/zinc/14/14/53/356141453.db2.gz NXZJSFVEYOIWHC-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP CCN(C(=O)[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1CC[NH+](C)C1 ZINC000617553679 356141456 /nfs/dbraw/zinc/14/14/56/356141456.db2.gz NXZJSFVEYOIWHC-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000618305862 356185172 /nfs/dbraw/zinc/18/51/72/356185172.db2.gz KEPACDSOEHOUHE-GFCCVEGCSA-N 2 1 284.404 -0.584 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)[C@H]3C[NH2+]CCO3)[C@H]2C1 ZINC000424179897 283149028 /nfs/dbraw/zinc/14/90/28/283149028.db2.gz ZLDXBPAYSJFYPM-SDDRHHMPSA-N 2 1 253.346 -0.473 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000622003950 356298808 /nfs/dbraw/zinc/29/88/08/356298808.db2.gz IFMNFOWONKIANZ-NFAWXSAZSA-N 3 1 280.416 -0.003 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](CN2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000622003950 356298812 /nfs/dbraw/zinc/29/88/12/356298812.db2.gz IFMNFOWONKIANZ-NFAWXSAZSA-N 2 1 280.416 -0.003 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000622003949 356298872 /nfs/dbraw/zinc/29/88/72/356298872.db2.gz IFMNFOWONKIANZ-IPYPFGDCSA-N 3 1 280.416 -0.003 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](CN2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000622003949 356298874 /nfs/dbraw/zinc/29/88/74/356298874.db2.gz IFMNFOWONKIANZ-IPYPFGDCSA-N 2 1 280.416 -0.003 20 0 CBADMP Nc1cc[nH+]c2c1CN(c1nc(N)nc(N)[nH+]1)CC2 ZINC000623283480 356359226 /nfs/dbraw/zinc/35/92/26/356359226.db2.gz YJSAQRNWXMXWFW-UHFFFAOYSA-N 2 1 258.289 -0.763 20 0 CBADMP Nc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000623800312 356376528 /nfs/dbraw/zinc/37/65/28/356376528.db2.gz DLRRDLPFPLMOHS-NSHDSACASA-N 2 1 285.355 -0.195 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000623861451 356379504 /nfs/dbraw/zinc/37/95/04/356379504.db2.gz XYKOSWXRLJPGCX-QMMMGPOBSA-N 2 1 251.338 -0.595 20 0 CBADMP C[C@@H](CNc1nc(N)[nH+]c(N)n1)[N@H+]1CCc2ccccc2C1 ZINC000623845485 356379611 /nfs/dbraw/zinc/37/96/11/356379611.db2.gz FZVCOKSGDDNNHG-JTQLQIEISA-N 2 1 299.382 -0.023 20 0 CBADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNc2nc(N)nc(N)[nH+]2)C1 ZINC000623864306 356380473 /nfs/dbraw/zinc/38/04/73/356380473.db2.gz LNQJOQWJZBPNNV-NXEZZACHSA-N 2 1 279.392 -0.101 20 0 CBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1nc(N)[nH+]c(N)n1 ZINC000623887404 356381625 /nfs/dbraw/zinc/38/16/25/356381625.db2.gz AYPVJHOPUIWLIR-AEJSXWLSSA-N 2 1 279.392 -0.103 20 0 CBADMP C[NH+]1CCC(CCNc2nc(N)nc(N)[nH+]2)CC1 ZINC000623915011 356382366 /nfs/dbraw/zinc/38/23/66/356382366.db2.gz REOFOZSCEQKFDL-UHFFFAOYSA-N 2 1 251.338 -0.738 20 0 CBADMP C[C@@H]1C[C@@H](N(C)c2nc(N)[nH+]c(N)n2)CC[N@H+]1C ZINC000623991986 356386587 /nfs/dbraw/zinc/38/65/87/356386587.db2.gz YIDAIAWDPFAGMB-SFYZADRCSA-N 2 1 251.338 -0.384 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624005566 356387900 /nfs/dbraw/zinc/38/79/00/356387900.db2.gz UZCKYJXWFAZLTK-SECBINFHSA-N 2 1 265.365 -0.135 20 0 CBADMP CCC[N@H+](C)C[C@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624005566 356387904 /nfs/dbraw/zinc/38/79/04/356387904.db2.gz UZCKYJXWFAZLTK-SECBINFHSA-N 2 1 265.365 -0.135 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624005566 356387908 /nfs/dbraw/zinc/38/79/08/356387908.db2.gz UZCKYJXWFAZLTK-SECBINFHSA-N 2 1 265.365 -0.135 20 0 CBADMP Nc1nc(NC[C@H]2CC[N@H+]2C2CCCC2)nc(N)[nH+]1 ZINC000624639498 356430180 /nfs/dbraw/zinc/43/01/80/356430180.db2.gz FREGHDZISUGKMB-SECBINFHSA-N 2 1 263.349 -0.453 20 0 CBADMP C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@H+](C2CC2)C1 ZINC000624247987 356406891 /nfs/dbraw/zinc/40/68/91/356406891.db2.gz XSMMFEPUMCLVSP-QMMMGPOBSA-N 2 1 263.349 -0.383 20 0 CBADMP [NH3+]C[C@@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000625899604 356496322 /nfs/dbraw/zinc/49/63/22/356496322.db2.gz XTOOHRHBFOXAHG-JGVFFNPUSA-N 2 1 284.282 -0.758 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626980510 356562684 /nfs/dbraw/zinc/56/26/84/356562684.db2.gz IOGBNDKGPKOADK-CYBMUJFWSA-N 2 1 283.420 -0.325 20 0 CBADMP C[NH2+]CCOCCNC(=O)NCCC[NH+]1CCOCC1 ZINC000626918080 356556216 /nfs/dbraw/zinc/55/62/16/356556216.db2.gz TWDNVWHEVPUPCH-UHFFFAOYSA-N 2 1 288.392 -0.756 20 0 CBADMP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000626978642 356562532 /nfs/dbraw/zinc/56/25/32/356562532.db2.gz HNYZGNNDNGNVQZ-LLVKDONJSA-N 2 1 270.377 -0.242 20 0 CBADMP CC[N@@H+](CCNC(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000626964952 356561094 /nfs/dbraw/zinc/56/10/94/356561094.db2.gz MRRNMJRVKLQEQU-NSHDSACASA-N 2 1 270.377 -0.242 20 0 CBADMP CCN(CC[NH3+])C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000626975253 356561483 /nfs/dbraw/zinc/56/14/83/356561483.db2.gz QJZCIHXEVDLJFQ-UHFFFAOYSA-N 2 1 299.419 -0.471 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[NH2+]1 ZINC000626974630 356561611 /nfs/dbraw/zinc/56/16/11/356561611.db2.gz JPGIGVNINXNPEN-UPJWGTAASA-N 2 1 283.420 -0.328 20 0 CBADMP CCN(CC[NH3+])C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000627003100 356566003 /nfs/dbraw/zinc/56/60/03/356566003.db2.gz GYTKKJNDCSMIOP-GHMZBOCLSA-N 2 1 258.366 -0.304 20 0 CBADMP CCN(CC[NH3+])C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000627003100 356566007 /nfs/dbraw/zinc/56/60/07/356566007.db2.gz GYTKKJNDCSMIOP-GHMZBOCLSA-N 2 1 258.366 -0.304 20 0 CBADMP C[NH2+]CCOCCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000627003900 356566163 /nfs/dbraw/zinc/56/61/63/356566163.db2.gz WPUWIJSNXRVIKT-RYUDHWBXSA-N 2 1 288.392 -0.759 20 0 CBADMP C[NH2+]CCOCCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000627003900 356566165 /nfs/dbraw/zinc/56/61/65/356566165.db2.gz WPUWIJSNXRVIKT-RYUDHWBXSA-N 2 1 288.392 -0.759 20 0 CBADMP O=C(NCC[C@@H]1CC[NH2+]C1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627073125 356573220 /nfs/dbraw/zinc/57/32/20/356573220.db2.gz KQBFHLNPUKWRDE-RYUDHWBXSA-N 2 1 270.377 -0.648 20 0 CBADMP [NH3+]CCCOCCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000627044411 356570066 /nfs/dbraw/zinc/57/00/66/356570066.db2.gz JOABEGMYZWNRQW-UHFFFAOYSA-N 2 1 288.392 -0.627 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@@H]1CCC[NH2+]C1 ZINC000627068286 356572374 /nfs/dbraw/zinc/57/23/74/356572374.db2.gz HDBXTTVLUGFZKR-VXGBXAGGSA-N 2 1 270.377 -0.648 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@@H]1CCC[NH2+]C1 ZINC000627068283 356572388 /nfs/dbraw/zinc/57/23/88/356572388.db2.gz HDBXTTVLUGFZKR-NEPJUHHUSA-N 2 1 270.377 -0.648 20 0 CBADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000626983139 356563433 /nfs/dbraw/zinc/56/34/33/356563433.db2.gz CLYSCGXHQARYHE-NWDGAFQWSA-N 2 1 270.377 -0.384 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N(C)CCOCC[NH3+])C1 ZINC000626982660 356563457 /nfs/dbraw/zinc/56/34/57/356563457.db2.gz OMIOBQPEAUEEFJ-LBPRGKRZSA-N 2 1 288.392 -0.676 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627157118 356590376 /nfs/dbraw/zinc/59/03/76/356590376.db2.gz OCYHVHHOUPKJMH-SDDRHHMPSA-N 2 1 270.377 -0.507 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000627160127 356591295 /nfs/dbraw/zinc/59/12/95/356591295.db2.gz DNNCMXXJZBQDBU-RWMBFGLXSA-N 2 1 284.404 -0.165 20 0 CBADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCOCC[NH2+]C ZINC000627171649 356592901 /nfs/dbraw/zinc/59/29/01/356592901.db2.gz FYGYHMNNYOJBFE-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP [NH3+]C[C@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000627077227 356575596 /nfs/dbraw/zinc/57/55/96/356575596.db2.gz XPZNKERJXMOYPK-MNOVXSKESA-N 2 1 256.350 -0.911 20 0 CBADMP [NH3+]C[C@@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000627079838 356576178 /nfs/dbraw/zinc/57/61/78/356576178.db2.gz XPZNKERJXMOYPK-WDEREUQCSA-N 2 1 256.350 -0.911 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627090669 356581614 /nfs/dbraw/zinc/58/16/14/356581614.db2.gz YXBPSWVGIDVUNI-GHMZBOCLSA-N 2 1 258.366 -0.650 20 0 CBADMP [NH3+]C[C@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000627090788 356581782 /nfs/dbraw/zinc/58/17/82/356581782.db2.gz ZNJSWTNDFLVYEN-STQMWFEESA-N 2 1 284.404 -0.130 20 0 CBADMP O=C(NCCC[C@@H]1CCC[NH2+]1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627101338 356582774 /nfs/dbraw/zinc/58/27/74/356582774.db2.gz VLZOLXZREXPQKH-STQMWFEESA-N 2 1 284.404 -0.116 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000627103942 356583538 /nfs/dbraw/zinc/58/35/38/356583538.db2.gz XWZKPBWHVCBKOJ-TUAOUCFPSA-N 2 1 270.377 -0.520 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000627243863 356611084 /nfs/dbraw/zinc/61/10/84/356611084.db2.gz XNXAZPOWXWPLRY-MROQNXINSA-N 2 1 284.404 -0.167 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000627251755 356613877 /nfs/dbraw/zinc/61/38/77/356613877.db2.gz ZIOKEEBWPUHPFM-VXGBXAGGSA-N 2 1 270.377 -0.506 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000627258906 356616421 /nfs/dbraw/zinc/61/64/21/356616421.db2.gz JGCZUHKBGAPBAY-IHRRRGAJSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000627258906 356616426 /nfs/dbraw/zinc/61/64/26/356616426.db2.gz JGCZUHKBGAPBAY-IHRRRGAJSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)C1 ZINC000627258906 356616431 /nfs/dbraw/zinc/61/64/31/356616431.db2.gz JGCZUHKBGAPBAY-IHRRRGAJSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)C1 ZINC000627258906 356616438 /nfs/dbraw/zinc/61/64/38/356616438.db2.gz JGCZUHKBGAPBAY-IHRRRGAJSA-N 2 1 297.399 -0.625 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C[NH2+]1 ZINC000627205203 356604670 /nfs/dbraw/zinc/60/46/70/356604670.db2.gz NXFOXALNHJQOJS-NQBHXWOUSA-N 2 1 270.377 -0.507 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000627357252 356631652 /nfs/dbraw/zinc/63/16/52/356631652.db2.gz BGIXYSVYUKQRFU-FRRDWIJNSA-N 2 1 296.415 -0.299 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000627372154 356634895 /nfs/dbraw/zinc/63/48/95/356634895.db2.gz DQQLXPIGLJWCJR-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627268901 356617497 /nfs/dbraw/zinc/61/74/97/356617497.db2.gz JTKMXIVNCGLSCK-OLZOCXBDSA-N 2 1 278.356 -0.141 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627268901 356617501 /nfs/dbraw/zinc/61/75/01/356617501.db2.gz JTKMXIVNCGLSCK-OLZOCXBDSA-N 2 1 278.356 -0.141 20 0 CBADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1=CC[N@@H+](C)CC1 ZINC000627376409 356635250 /nfs/dbraw/zinc/63/52/50/356635250.db2.gz ARZVQZJFTMOBER-ZYHUDNBSSA-N 2 1 280.372 -0.769 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000627372883 356635355 /nfs/dbraw/zinc/63/53/55/356635355.db2.gz ZHTKTGXSQWGNLR-KGYLQXTDSA-N 2 1 296.415 -0.158 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000627319015 356625904 /nfs/dbraw/zinc/62/59/04/356625904.db2.gz HNYMCGUVWOZUSA-NWDGAFQWSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000627325579 356626845 /nfs/dbraw/zinc/62/68/45/356626845.db2.gz ODORIYXNROOIPD-JBLDHEPKSA-N 2 1 280.372 -0.794 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627334462 356627124 /nfs/dbraw/zinc/62/71/24/356627124.db2.gz RGZAAIRQGFRVOX-CMPLNLGQSA-N 2 1 293.371 -0.436 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627333044 356627206 /nfs/dbraw/zinc/62/72/06/356627206.db2.gz RWKFUSXVORHDAS-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627346533 356629682 /nfs/dbraw/zinc/62/96/82/356629682.db2.gz UTTUAXOKAUTLGS-JQWIXIFHSA-N 2 1 293.371 -0.436 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N(CC)CC[NH3+] ZINC000627346549 356629816 /nfs/dbraw/zinc/62/98/16/356629816.db2.gz VTBGQOOMKOPKMC-UHFFFAOYSA-N 2 1 272.393 -0.358 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627346535 356629955 /nfs/dbraw/zinc/62/99/55/356629955.db2.gz UTTUAXOKAUTLGS-ZYHUDNBSSA-N 2 1 293.371 -0.436 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627446637 356648361 /nfs/dbraw/zinc/64/83/61/356648361.db2.gz QWSIFDXLRNEKEP-NEPJUHHUSA-N 2 1 294.399 -0.402 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000627388754 356637171 /nfs/dbraw/zinc/63/71/71/356637171.db2.gz GGQPPEWYKKILCV-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000627398425 356639121 /nfs/dbraw/zinc/63/91/21/356639121.db2.gz MRSFTPDYVWVCDQ-RNJOBUHISA-N 2 1 294.399 -0.404 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000627506555 356661759 /nfs/dbraw/zinc/66/17/59/356661759.db2.gz XJWQUXCLWKGXEE-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000627499139 356657204 /nfs/dbraw/zinc/65/72/04/356657204.db2.gz APUUEJBKBSXELH-YNEHKIRRSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000627499138 356657238 /nfs/dbraw/zinc/65/72/38/356657238.db2.gz APUUEJBKBSXELH-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000627503760 356659898 /nfs/dbraw/zinc/65/98/98/356659898.db2.gz ZXSFIEFETZZSFD-QJPTWQEYSA-N 2 1 282.388 -0.594 20 0 CBADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)C[C@H]21 ZINC000627653365 356667513 /nfs/dbraw/zinc/66/75/13/356667513.db2.gz MPRMKSRZIXNXKZ-RFQIPJPRSA-N 2 1 278.400 -0.605 20 0 CBADMP OCC[NH+](CCO)C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000628370319 356695634 /nfs/dbraw/zinc/69/56/34/356695634.db2.gz JEDXBWWOIZRHIB-AWEZNQCLSA-N 2 1 272.389 -0.084 20 0 CBADMP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC000373358306 283209273 /nfs/dbraw/zinc/20/92/73/283209273.db2.gz JEOZPUMUECRJQS-TUAOUCFPSA-N 2 1 253.346 -0.663 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC000373358306 283209275 /nfs/dbraw/zinc/20/92/75/283209275.db2.gz JEOZPUMUECRJQS-TUAOUCFPSA-N 2 1 253.346 -0.663 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC000373358306 283209279 /nfs/dbraw/zinc/20/92/79/283209279.db2.gz JEOZPUMUECRJQS-TUAOUCFPSA-N 2 1 253.346 -0.663 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC000373358306 283209281 /nfs/dbraw/zinc/20/92/81/283209281.db2.gz JEOZPUMUECRJQS-TUAOUCFPSA-N 2 1 253.346 -0.663 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)NC[C@@H]1CCCO1 ZINC000629570814 356781120 /nfs/dbraw/zinc/78/11/20/356781120.db2.gz MXHOBZMTVYGMSZ-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)NC[C@@H]1CCCO1 ZINC000629570814 356781123 /nfs/dbraw/zinc/78/11/23/356781123.db2.gz MXHOBZMTVYGMSZ-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP CC(C)(C)CNC(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000629542612 356778647 /nfs/dbraw/zinc/77/86/47/356778647.db2.gz HBAIZKMVAJCDMN-UHFFFAOYSA-N 2 1 257.378 -0.066 20 0 CBADMP NC(=O)C[C@@H]1C[N@H+]([C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000629545440 356778765 /nfs/dbraw/zinc/77/87/65/356778765.db2.gz MIDTZDUSIWXCFA-WUHRBBMRSA-N 2 1 267.373 -0.049 20 0 CBADMP CCN(CC[NH3+])[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000629557186 356779284 /nfs/dbraw/zinc/77/92/84/356779284.db2.gz WXPWSIACHHLGQJ-LBPRGKRZSA-N 2 1 256.394 -0.180 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000629169304 356751364 /nfs/dbraw/zinc/75/13/64/356751364.db2.gz RBHBGYFYQAUNMQ-TZMCWYRMSA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)CC2 ZINC000629169304 356751367 /nfs/dbraw/zinc/75/13/67/356751367.db2.gz RBHBGYFYQAUNMQ-TZMCWYRMSA-N 2 1 292.383 -0.063 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629173215 356752523 /nfs/dbraw/zinc/75/25/23/356752523.db2.gz PSDKTFBMOJGRJA-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)NCc1cccnc1 ZINC000629571148 356780363 /nfs/dbraw/zinc/78/03/63/356780363.db2.gz QWBVSLZEVYZOQZ-UHFFFAOYSA-N 2 1 280.372 -0.134 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)NCc1cccnc1 ZINC000629571148 356780366 /nfs/dbraw/zinc/78/03/66/356780366.db2.gz QWBVSLZEVYZOQZ-UHFFFAOYSA-N 2 1 280.372 -0.134 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000629567036 356780461 /nfs/dbraw/zinc/78/04/61/356780461.db2.gz MQDSHXPNZSFMPN-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP COc1cncc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000629514440 356776191 /nfs/dbraw/zinc/77/61/91/356776191.db2.gz ZWJQWYLYWOCTOF-LLVKDONJSA-N 2 1 293.371 -0.228 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000629797180 356794716 /nfs/dbraw/zinc/79/47/16/356794716.db2.gz AWVNGKJAIWOZBX-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000629797180 356794719 /nfs/dbraw/zinc/79/47/19/356794719.db2.gz AWVNGKJAIWOZBX-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000629797953 356795242 /nfs/dbraw/zinc/79/52/42/356795242.db2.gz GXJZCILIDCGINO-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000629801586 356795962 /nfs/dbraw/zinc/79/59/62/356795962.db2.gz AUBGGPMPBHYBSM-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCSC1 ZINC000629914892 356807010 /nfs/dbraw/zinc/80/70/10/356807010.db2.gz LLWWJOFYMKRQSU-NEPJUHHUSA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH+](CC(=O)NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCSC1 ZINC000629914892 356807012 /nfs/dbraw/zinc/80/70/12/356807012.db2.gz LLWWJOFYMKRQSU-NEPJUHHUSA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH+](CC(=O)NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCSC1 ZINC000629914892 356807016 /nfs/dbraw/zinc/80/70/16/356807016.db2.gz LLWWJOFYMKRQSU-NEPJUHHUSA-N 2 1 287.429 -0.394 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@H+]1C ZINC000629917509 356809045 /nfs/dbraw/zinc/80/90/45/356809045.db2.gz DKOOWXQKHZITCE-GRYCIOLGSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000629917509 356809047 /nfs/dbraw/zinc/80/90/47/356809047.db2.gz DKOOWXQKHZITCE-GRYCIOLGSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000629917509 356809049 /nfs/dbraw/zinc/80/90/49/356809049.db2.gz DKOOWXQKHZITCE-GRYCIOLGSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000630074438 356823555 /nfs/dbraw/zinc/82/35/55/356823555.db2.gz AOBAWUJRAXIUHR-RFQIPJPRSA-N 2 1 281.400 -0.006 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000630074438 356823559 /nfs/dbraw/zinc/82/35/59/356823559.db2.gz AOBAWUJRAXIUHR-RFQIPJPRSA-N 2 1 281.400 -0.006 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000630074438 356823562 /nfs/dbraw/zinc/82/35/62/356823562.db2.gz AOBAWUJRAXIUHR-RFQIPJPRSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)O1 ZINC000630090824 356827329 /nfs/dbraw/zinc/82/73/29/356827329.db2.gz LAZYYOKPRLZHRY-NMKXLXIOSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)O1 ZINC000630090824 356827333 /nfs/dbraw/zinc/82/73/33/356827333.db2.gz LAZYYOKPRLZHRY-NMKXLXIOSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCOCC[NH3+] ZINC000629578532 356782849 /nfs/dbraw/zinc/78/28/49/356782849.db2.gz QAVYLJPBJYVARB-MRVPVSSYSA-N 2 1 271.283 -0.040 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)[C@H]1CCCO1)C1CC1 ZINC000629589919 356783716 /nfs/dbraw/zinc/78/37/16/356783716.db2.gz DJDOPCIQKHLMRP-FRRDWIJNSA-N 2 1 258.362 -0.429 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)[C@H]1CCCO1)C1CC1 ZINC000629589919 356783720 /nfs/dbraw/zinc/78/37/20/356783720.db2.gz DJDOPCIQKHLMRP-FRRDWIJNSA-N 2 1 258.362 -0.429 20 0 CBADMP NC(=O)C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000629583895 356783824 /nfs/dbraw/zinc/78/38/24/356783824.db2.gz KFJVETSHLMRZTP-VXGBXAGGSA-N 2 1 255.362 -0.048 20 0 CBADMP NC(=O)C[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000629583892 356783854 /nfs/dbraw/zinc/78/38/54/356783854.db2.gz KFJVETSHLMRZTP-NEPJUHHUSA-N 2 1 255.362 -0.048 20 0 CBADMP OCC[N@H+]1CCCC[C@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000629585035 356784150 /nfs/dbraw/zinc/78/41/50/356784150.db2.gz YKCIRKOJKCHCDY-GJZGRUSLSA-N 2 1 285.432 -0.121 20 0 CBADMP Cn1cc(C[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000629598987 356784517 /nfs/dbraw/zinc/78/45/17/356784517.db2.gz ZFNZJIKYNAIHSE-UONOGXRCSA-N 2 1 282.388 -0.630 20 0 CBADMP CN1CCOC[C@@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000629599885 356785114 /nfs/dbraw/zinc/78/51/14/356785114.db2.gz NWXDFMBMIIXSSH-STQMWFEESA-N 2 1 257.378 -0.638 20 0 CBADMP CN1CCOC[C@@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000629599885 356785115 /nfs/dbraw/zinc/78/51/15/356785115.db2.gz NWXDFMBMIIXSSH-STQMWFEESA-N 2 1 257.378 -0.638 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000629595686 356785128 /nfs/dbraw/zinc/78/51/28/356785128.db2.gz UNDNELLJWQKYKB-NSHDSACASA-N 2 1 263.407 -0.143 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000629595686 356785130 /nfs/dbraw/zinc/78/51/30/356785130.db2.gz UNDNELLJWQKYKB-NSHDSACASA-N 2 1 263.407 -0.143 20 0 CBADMP CN1CCOC[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629600079 356785145 /nfs/dbraw/zinc/78/51/45/356785145.db2.gz RHLVXQSGWKWINI-QWHCGFSZSA-N 2 1 257.378 -0.637 20 0 CBADMP Cn1nccc1-n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000630592226 356853657 /nfs/dbraw/zinc/85/36/57/356853657.db2.gz NTBMOMWJAKGBFI-UHFFFAOYSA-N 2 1 275.360 -0.034 20 0 CBADMP OC[C@@H]1CCC[N@@H+]1Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630603722 356854642 /nfs/dbraw/zinc/85/46/42/356854642.db2.gz LAKXRSZMDLQGFZ-YPMHNXCESA-N 2 1 265.361 -0.013 20 0 CBADMP OC[C@@H]1CCC[N@H+]1Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630603722 356854647 /nfs/dbraw/zinc/85/46/47/356854647.db2.gz LAKXRSZMDLQGFZ-YPMHNXCESA-N 2 1 265.361 -0.013 20 0 CBADMP CN1CCO[C@H](CS(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000631784566 356907374 /nfs/dbraw/zinc/90/73/74/356907374.db2.gz ZHHYEOWBXUUNDF-NEPJUHHUSA-N 2 1 291.417 -0.669 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC000631830496 356909711 /nfs/dbraw/zinc/90/97/11/356909711.db2.gz UFKCYRSEXMASNB-NSHDSACASA-N 2 1 253.350 -0.067 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CCOCC2)C[C@H]1C[NH3+] ZINC000631841902 356910715 /nfs/dbraw/zinc/91/07/15/356910715.db2.gz ROMCDOUNTDLSNM-VXGBXAGGSA-N 2 1 255.362 -0.238 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1CCC(=O)N1CC[NH+](C)CC1 ZINC000631861601 356913747 /nfs/dbraw/zinc/91/37/47/356913747.db2.gz FLAOEPHWFPVLMB-NWDGAFQWSA-N 2 1 254.378 -0.428 20 0 CBADMP CS(=O)(=O)N[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000631867336 356914297 /nfs/dbraw/zinc/91/42/97/356914297.db2.gz QWWJICQMYBOJLC-NWDGAFQWSA-N 2 1 275.418 0.000 20 0 CBADMP CN(C)S(=O)(=O)CCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868931 356914773 /nfs/dbraw/zinc/91/47/73/356914773.db2.gz QPCYMQKGNBIVBZ-NEPJUHHUSA-N 2 1 275.418 0.000 20 0 CBADMP CNC(=O)NC[C@H]1COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000631873910 356915360 /nfs/dbraw/zinc/91/53/60/356915360.db2.gz WLFAGIRBBJTKRU-NEPJUHHUSA-N 2 1 270.377 -0.384 20 0 CBADMP CNC(=O)NC[C@H]1COCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000631873910 356915363 /nfs/dbraw/zinc/91/53/63/356915363.db2.gz WLFAGIRBBJTKRU-NEPJUHHUSA-N 2 1 270.377 -0.384 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000631900508 356917134 /nfs/dbraw/zinc/91/71/34/356917134.db2.gz CLIINSANTLEATC-JTQLQIEISA-N 2 1 261.391 -0.248 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[NH2+]CC2)CC1 ZINC000631900658 356917405 /nfs/dbraw/zinc/91/74/05/356917405.db2.gz FMDHOFWRWOCMIN-UHFFFAOYSA-N 2 1 261.391 -0.294 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000631902020 356918033 /nfs/dbraw/zinc/91/80/33/356918033.db2.gz RTARJRVDFOTTHH-LLVKDONJSA-N 2 1 275.418 0.000 20 0 CBADMP C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000631904403 356919778 /nfs/dbraw/zinc/91/97/78/356919778.db2.gz MNXKNUXLAAZXLA-PHIMTYICSA-N 2 1 263.407 -0.050 20 0 CBADMP C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631935065 356927270 /nfs/dbraw/zinc/92/72/70/356927270.db2.gz PKYCLAMACXAKKZ-QWRGUYRKSA-N 2 1 275.418 -0.002 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631935375 356928096 /nfs/dbraw/zinc/92/80/96/356928096.db2.gz UUTXHDPXGDCUNR-GHMZBOCLSA-N 2 1 275.418 -0.002 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631935376 356928143 /nfs/dbraw/zinc/92/81/43/356928143.db2.gz UUTXHDPXGDCUNR-MNOVXSKESA-N 2 1 275.418 -0.002 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC000632472797 356993116 /nfs/dbraw/zinc/99/31/16/356993116.db2.gz GLGUKSJYLKYJHK-CQSZACIVSA-N 2 1 295.387 -0.759 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)CC[N@H+]1C ZINC000633072542 357039515 /nfs/dbraw/zinc/03/95/15/357039515.db2.gz PFANPNNLFFMZEZ-GRYCIOLGSA-N 2 1 257.378 -0.245 20 0 CBADMP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633084354 357041673 /nfs/dbraw/zinc/04/16/73/357041673.db2.gz XWVXUKMSFVGJRS-STQMWFEESA-N 2 1 292.383 -0.887 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C[C@H]1C[NH3+] ZINC000633099641 357045209 /nfs/dbraw/zinc/04/52/09/357045209.db2.gz VDEJMEYDWJUVSK-VXGBXAGGSA-N 2 1 296.415 -0.408 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633107372 357046910 /nfs/dbraw/zinc/04/69/10/357046910.db2.gz PTPVMSPJROTZRH-TUAOUCFPSA-N 2 1 280.372 -0.888 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH3+] ZINC000633106791 357047071 /nfs/dbraw/zinc/04/70/71/357047071.db2.gz MQNWXXFQUNZDSJ-UPJWGTAASA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000633116143 357049589 /nfs/dbraw/zinc/04/95/89/357049589.db2.gz PKDYICXVHCHUHJ-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH2+]CCCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000633974966 357098584 /nfs/dbraw/zinc/09/85/84/357098584.db2.gz LBLNFYZRSNTMIZ-UHFFFAOYSA-N 2 1 272.393 -0.306 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992934 357142503 /nfs/dbraw/zinc/14/25/03/357142503.db2.gz GFBAUTKLEHKBTL-NPCAHTBFSA-N 2 1 292.427 -0.023 20 0 CBADMP C[NH+](C)CC(=O)N1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635262731 357154534 /nfs/dbraw/zinc/15/45/34/357154534.db2.gz AFAAEFNCDMSQLV-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP COCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000635420870 357161294 /nfs/dbraw/zinc/16/12/94/357161294.db2.gz DUAXNRWUSIBVPW-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000635420870 357161298 /nfs/dbraw/zinc/16/12/98/357161298.db2.gz DUAXNRWUSIBVPW-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000635420870 357161302 /nfs/dbraw/zinc/16/13/02/357161302.db2.gz DUAXNRWUSIBVPW-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000635420870 357161306 /nfs/dbraw/zinc/16/13/06/357161306.db2.gz DUAXNRWUSIBVPW-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635546996 357174152 /nfs/dbraw/zinc/17/41/52/357174152.db2.gz DNXRJGNFIWJFIL-OLZOCXBDSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635546996 357174155 /nfs/dbraw/zinc/17/41/55/357174155.db2.gz DNXRJGNFIWJFIL-OLZOCXBDSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635546996 357174157 /nfs/dbraw/zinc/17/41/57/357174157.db2.gz DNXRJGNFIWJFIL-OLZOCXBDSA-N 2 1 268.405 -0.310 20 0 CBADMP CC(C)[C@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000634301039 357115457 /nfs/dbraw/zinc/11/54/57/357115457.db2.gz UUUCPVICWJHQAA-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635809505 357211136 /nfs/dbraw/zinc/21/11/36/357211136.db2.gz JTGKLRVDRWBACV-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635809505 357211140 /nfs/dbraw/zinc/21/11/40/357211140.db2.gz JTGKLRVDRWBACV-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635809505 357211142 /nfs/dbraw/zinc/21/11/42/357211142.db2.gz JTGKLRVDRWBACV-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+](C)C ZINC000635975273 357241473 /nfs/dbraw/zinc/24/14/73/357241473.db2.gz OHPHGMHOPQGZSE-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N2CC(C[NH+](C)C)C2)O1 ZINC000635974895 357241780 /nfs/dbraw/zinc/24/17/80/357241780.db2.gz DGQZHSONWVZZIV-PWSUYJOCSA-N 2 1 255.362 -0.275 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N2CC(C[NH+](C)C)C2)O1 ZINC000635974895 357241782 /nfs/dbraw/zinc/24/17/82/357241782.db2.gz DGQZHSONWVZZIV-PWSUYJOCSA-N 2 1 255.362 -0.275 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C[NH+]1C1CC1 ZINC000636907199 357310003 /nfs/dbraw/zinc/31/00/03/357310003.db2.gz LUXPAJSWVRIAQY-BZPMIXESSA-N 2 1 296.415 -0.023 20 0 CBADMP C[N@@H+](CCNC(=O)NCC[NH+]1CC[C@H](O)C1)C1CC1 ZINC000636777016 357302838 /nfs/dbraw/zinc/30/28/38/357302838.db2.gz LDZQJHXSGGTQMO-LBPRGKRZSA-N 2 1 270.377 -0.554 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000636820714 357304535 /nfs/dbraw/zinc/30/45/35/357304535.db2.gz ZEIYQGTWTAIWHE-UONOGXRCSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000636820714 357304539 /nfs/dbraw/zinc/30/45/39/357304539.db2.gz ZEIYQGTWTAIWHE-UONOGXRCSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000636820714 357304542 /nfs/dbraw/zinc/30/45/42/357304542.db2.gz ZEIYQGTWTAIWHE-UONOGXRCSA-N 2 1 296.415 -0.164 20 0 CBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636075748 357261240 /nfs/dbraw/zinc/26/12/40/357261240.db2.gz DCXWOSQRRGKITE-CHWSQXEVSA-N 2 1 296.415 -0.093 20 0 CBADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636075764 357261299 /nfs/dbraw/zinc/26/12/99/357261299.db2.gz DCXWOSQRRGKITE-STQMWFEESA-N 2 1 296.415 -0.093 20 0 CBADMP CN1CCOC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636278939 357275886 /nfs/dbraw/zinc/27/58/86/357275886.db2.gz CHVQUOZPLQDEQI-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000637832535 357372670 /nfs/dbraw/zinc/37/26/70/357372670.db2.gz IJIZBYMEFMIMFD-XQQFMLRXSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637002662 357316461 /nfs/dbraw/zinc/31/64/61/357316461.db2.gz UGIANRQUVQGDLQ-GFCCVEGCSA-N 2 1 272.393 -0.258 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000637798365 357365461 /nfs/dbraw/zinc/36/54/61/357365461.db2.gz XECIXYMIQJVMQK-CYBMUJFWSA-N 2 1 287.404 -0.079 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000637804562 357366845 /nfs/dbraw/zinc/36/68/45/357366845.db2.gz DLOZTXWISGJWHG-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)O1 ZINC000638249290 357443885 /nfs/dbraw/zinc/44/38/85/357443885.db2.gz WAUDUZGYQAEUMF-XWLWVQCSSA-N 2 1 259.325 -0.478 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)O1 ZINC000638249290 357443889 /nfs/dbraw/zinc/44/38/89/357443889.db2.gz WAUDUZGYQAEUMF-XWLWVQCSSA-N 2 1 259.325 -0.478 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638242328 357441991 /nfs/dbraw/zinc/44/19/91/357441991.db2.gz XIBHRXMIKHXLBX-CYBMUJFWSA-N 2 1 277.372 -0.302 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000638051775 357406260 /nfs/dbraw/zinc/40/62/60/357406260.db2.gz QQJQOHULJFQWPV-XQQFMLRXSA-N 2 1 283.372 -0.574 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638062915 357407225 /nfs/dbraw/zinc/40/72/25/357407225.db2.gz AGWQCXAAEGTNGN-GFCCVEGCSA-N 2 1 280.372 -0.686 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638058537 357407893 /nfs/dbraw/zinc/40/78/93/357407893.db2.gz QWOILWLWLYMVJI-DZGCQCFKSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638069909 357409292 /nfs/dbraw/zinc/40/92/92/357409292.db2.gz NIMQSFYLTAJANI-SDDRHHMPSA-N 2 1 255.362 -0.049 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638071419 357409393 /nfs/dbraw/zinc/40/93/93/357409393.db2.gz JJSWFGRZCHXCIX-CQSZACIVSA-N 2 1 287.404 -0.174 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638071666 357411155 /nfs/dbraw/zinc/41/11/55/357411155.db2.gz HDVNZHPQXFVIQC-WCQYABFASA-N 2 1 255.362 -0.177 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000638078185 357412856 /nfs/dbraw/zinc/41/28/56/357412856.db2.gz FAZCUKMSJPWKDX-NTZNESFSSA-N 2 1 255.362 -0.036 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CN1CC[NH2+]CC1 ZINC000638076242 357412874 /nfs/dbraw/zinc/41/28/74/357412874.db2.gz XELGEDSQEAERMU-LBPRGKRZSA-N 2 1 279.388 -0.151 20 0 CBADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000638081635 357412883 /nfs/dbraw/zinc/41/28/83/357412883.db2.gz BAKIKJAWVDGFBC-YPMHNXCESA-N 2 1 255.362 -0.036 20 0 CBADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000638081633 357412902 /nfs/dbraw/zinc/41/29/02/357412902.db2.gz BAKIKJAWVDGFBC-DGCLKSJQSA-N 2 1 255.362 -0.036 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)CN1CC[NH2+]CC1 ZINC000638089194 357413262 /nfs/dbraw/zinc/41/32/62/357413262.db2.gz PBCCHQSWWGEFLI-UHFFFAOYSA-N 2 1 256.394 -0.260 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])C[NH+]1CCOCC1 ZINC000638090289 357414295 /nfs/dbraw/zinc/41/42/95/357414295.db2.gz HPTWASRRZAGOAV-GRYCIOLGSA-N 2 1 271.361 -0.813 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000638092333 357414903 /nfs/dbraw/zinc/41/49/03/357414903.db2.gz XAGSUYIPAOGDAJ-AWEZNQCLSA-N 2 1 287.404 -0.161 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638099401 357416675 /nfs/dbraw/zinc/41/66/75/357416675.db2.gz HMGGKMJYTNZFCA-DGCLKSJQSA-N 2 1 271.361 -0.798 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638098912 357417213 /nfs/dbraw/zinc/41/72/13/357417213.db2.gz FAYFOTAWEJBBML-LBPRGKRZSA-N 2 1 255.362 -0.177 20 0 CBADMP CN(C(=O)CN1CC[NH2+]CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000638099642 357417569 /nfs/dbraw/zinc/41/75/69/357417569.db2.gz IGWJDRCEIPWORH-ZDUSSCGKSA-N 2 1 266.389 -0.413 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638099402 357417607 /nfs/dbraw/zinc/41/76/07/357417607.db2.gz HMGGKMJYTNZFCA-WCQYABFASA-N 2 1 271.361 -0.798 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638102799 357418281 /nfs/dbraw/zinc/41/82/81/357418281.db2.gz WUJBCYMRRKQDGF-OCCSQVGLSA-N 2 1 285.388 -0.421 20 0 CBADMP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000638117955 357420986 /nfs/dbraw/zinc/42/09/86/357420986.db2.gz PWMSOTZDJCTPIX-ZIAGYGMSSA-N 2 1 298.431 -0.493 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638121668 357421457 /nfs/dbraw/zinc/42/14/57/357421457.db2.gz HTMQVSAQRRQJOM-GXTWGEPZSA-N 2 1 287.404 -0.162 20 0 CBADMP Cc1[nH+]ccn1CCCCNC(=O)CN1CC[NH2+]CC1 ZINC000638122595 357422133 /nfs/dbraw/zinc/42/21/33/357422133.db2.gz KYSPRWAHTSMSHR-UHFFFAOYSA-N 2 1 279.388 -0.007 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638124165 357422156 /nfs/dbraw/zinc/42/21/56/357422156.db2.gz SIYUYXCVQBZPKH-CYBMUJFWSA-N 2 1 273.377 -0.551 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638130548 357422811 /nfs/dbraw/zinc/42/28/11/357422811.db2.gz JWSFYNPROHSBMR-SDDRHHMPSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000638137620 357423876 /nfs/dbraw/zinc/42/38/76/357423876.db2.gz XDRJRNZNSBWHPW-LBPRGKRZSA-N 2 1 256.394 -0.262 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638134022 357424141 /nfs/dbraw/zinc/42/41/41/357424141.db2.gz LBNJGQRYYBAEQF-MPKXVKKWSA-N 2 1 267.373 -0.036 20 0 CBADMP CC[NH2+][C@H](C)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000638138133 357424782 /nfs/dbraw/zinc/42/47/82/357424782.db2.gz WFLIMUFVEOLLJY-CHWSQXEVSA-N 2 1 270.421 -0.016 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638138430 357425295 /nfs/dbraw/zinc/42/52/95/357425295.db2.gz AVAWFQWLAIZEMY-JSGCOSHPSA-N 2 1 284.404 -0.896 20 0 CBADMP CC[NH2+][C@H](C)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000638138135 357425466 /nfs/dbraw/zinc/42/54/66/357425466.db2.gz WFLIMUFVEOLLJY-QWHCGFSZSA-N 2 1 270.421 -0.016 20 0 CBADMP COCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000638151876 357426615 /nfs/dbraw/zinc/42/66/15/357426615.db2.gz GGIUTEXRVSTDFA-NEPJUHHUSA-N 2 1 271.361 -0.798 20 0 CBADMP COCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000638151885 357426640 /nfs/dbraw/zinc/42/66/40/357426640.db2.gz GGIUTEXRVSTDFA-VXGBXAGGSA-N 2 1 271.361 -0.798 20 0 CBADMP COC[C@@]1(C(=O)NCC(F)(F)C[NH3+])CCCC[NH2+]1 ZINC000638174730 357432243 /nfs/dbraw/zinc/43/22/43/357432243.db2.gz PULMEDJAHKECGX-SNVBAGLBSA-N 2 1 265.304 -0.145 20 0 CBADMP CO[C@@]1(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCOC1 ZINC000638571634 357495402 /nfs/dbraw/zinc/49/54/02/357495402.db2.gz NQDBEFVAQUYFAN-UKRRQHHQSA-N 2 1 299.415 -0.031 20 0 CBADMP CO[C@@]1(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CCOC1 ZINC000638571632 357495768 /nfs/dbraw/zinc/49/57/68/357495768.db2.gz NQDBEFVAQUYFAN-DZGCQCFKSA-N 2 1 299.415 -0.031 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)O1 ZINC000638267847 357446212 /nfs/dbraw/zinc/44/62/12/357446212.db2.gz UMHHBLKYJAFQDS-WUHRBBMRSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)O1 ZINC000638267847 357446215 /nfs/dbraw/zinc/44/62/15/357446215.db2.gz UMHHBLKYJAFQDS-WUHRBBMRSA-N 2 1 267.373 -0.084 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638274374 357448693 /nfs/dbraw/zinc/44/86/93/357448693.db2.gz NQYCCMSRAQHNFX-UKRRQHHQSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CN1CC[NH2+]CC1 ZINC000638284447 357452080 /nfs/dbraw/zinc/45/20/80/357452080.db2.gz GVHVRICKZLAEKM-CHWSQXEVSA-N 2 1 268.405 -0.310 20 0 CBADMP COC[C@@]1(C(=O)NCC[N@@H+]2CCCOCC2)CCCC[NH2+]1 ZINC000638295951 357453422 /nfs/dbraw/zinc/45/34/22/357453422.db2.gz ZZVHJZGBNDNXGA-OAHLLOKOSA-N 2 1 299.415 -0.016 20 0 CBADMP COC[C@@]1(C(=O)NCC[N@H+]2CCCOCC2)CCCC[NH2+]1 ZINC000638295951 357453425 /nfs/dbraw/zinc/45/34/25/357453425.db2.gz ZZVHJZGBNDNXGA-OAHLLOKOSA-N 2 1 299.415 -0.016 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000638326534 357457987 /nfs/dbraw/zinc/45/79/87/357457987.db2.gz ZUVYOOYOFDRLRL-JLNYLFASSA-N 2 1 297.399 -0.315 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000638326536 357458282 /nfs/dbraw/zinc/45/82/82/357458282.db2.gz ZUVYOOYOFDRLRL-XPCVCDNBSA-N 2 1 297.399 -0.315 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000638343942 357460597 /nfs/dbraw/zinc/46/05/97/357460597.db2.gz PZSNTONNZGADTM-VXGBXAGGSA-N 2 1 255.362 -0.096 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638367197 357462782 /nfs/dbraw/zinc/46/27/82/357462782.db2.gz MXABYYZNPSGZHW-NWDGAFQWSA-N 2 1 285.388 -0.328 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638404943 357469838 /nfs/dbraw/zinc/46/98/38/357469838.db2.gz QDPYLTHEGZNOKS-LBPRGKRZSA-N 2 1 268.405 -0.119 20 0 CBADMP [NH3+]C[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CCCOC1 ZINC000638423959 357473193 /nfs/dbraw/zinc/47/31/93/357473193.db2.gz CRQFZLWNCRHSNV-UKRRQHHQSA-N 2 1 296.415 -0.752 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638499096 357488506 /nfs/dbraw/zinc/48/85/06/357488506.db2.gz YETAHCKJRCWMDV-WYUUTHIRSA-N 2 1 280.372 -0.807 20 0 CBADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000638536657 357493635 /nfs/dbraw/zinc/49/36/35/357493635.db2.gz RRFNEXPLKSGVJO-NQBHXWOUSA-N 2 1 255.362 -0.036 20 0 CBADMP CO[C@@H](C[NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000638551966 357494667 /nfs/dbraw/zinc/49/46/67/357494667.db2.gz OUGOKKNXQRTXDC-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638933709 357545350 /nfs/dbraw/zinc/54/53/50/357545350.db2.gz ZDMZJLCCVQMHEX-CHWSQXEVSA-N 2 1 287.404 -0.081 20 0 CBADMP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638983489 357549188 /nfs/dbraw/zinc/54/91/88/357549188.db2.gz AUCLULXNGRCDQB-IMRBUKKESA-N 2 1 287.367 -0.105 20 0 CBADMP CO[C@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1CCOC1 ZINC000639049581 357556033 /nfs/dbraw/zinc/55/60/33/357556033.db2.gz VHQVUXNDQBJIEP-YNEHKIRRSA-N 2 1 258.362 -0.306 20 0 CBADMP CO[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000639049581 357556039 /nfs/dbraw/zinc/55/60/39/357556039.db2.gz VHQVUXNDQBJIEP-YNEHKIRRSA-N 2 1 258.362 -0.306 20 0 CBADMP COC[C@H](CO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639123425 357558249 /nfs/dbraw/zinc/55/82/49/357558249.db2.gz AMDLJJMHNCZQPU-LBPRGKRZSA-N 2 1 260.378 -0.181 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000639164344 357560433 /nfs/dbraw/zinc/56/04/33/357560433.db2.gz NSLPZIXGSRBKCK-QWRGUYRKSA-N 2 1 278.422 -0.545 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000639164344 357560435 /nfs/dbraw/zinc/56/04/35/357560435.db2.gz NSLPZIXGSRBKCK-QWRGUYRKSA-N 2 1 278.422 -0.545 20 0 CBADMP CC[C@H]1C[N@@H+](C)CCN1Cc1cnc(N)nc1N ZINC000639211604 357561494 /nfs/dbraw/zinc/56/14/94/357561494.db2.gz PNZZLMCILAZPGW-JTQLQIEISA-N 2 1 250.350 -0.172 20 0 CBADMP C[C@@H]1CN(Cc2cnc(N)nc2N)C[C@H](C)[N@@H+]1C ZINC000639209143 357561893 /nfs/dbraw/zinc/56/18/93/357561893.db2.gz NTYZDAIQNRTWLB-DTORHVGOSA-N 2 1 250.350 -0.174 20 0 CBADMP C[NH+]1CCC2(CC[N@H+](Cc3nc(N)nc(N)n3)C2)CC1 ZINC000639759947 357595289 /nfs/dbraw/zinc/59/52/89/357595289.db2.gz OPNYECGHOFTVLG-UHFFFAOYSA-N 2 1 277.376 -0.386 20 0 CBADMP C[NH+]1CCC2(CC[N@@H+](Cc3nc(N)nc(N)n3)C2)CC1 ZINC000639759947 357595290 /nfs/dbraw/zinc/59/52/90/357595290.db2.gz OPNYECGHOFTVLG-UHFFFAOYSA-N 2 1 277.376 -0.386 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000639764429 357595690 /nfs/dbraw/zinc/59/56/90/357595690.db2.gz VOGYFFXKBHTWCQ-ZIAGYGMSSA-N 2 1 282.388 -0.368 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000639764429 357595694 /nfs/dbraw/zinc/59/56/94/357595694.db2.gz VOGYFFXKBHTWCQ-ZIAGYGMSSA-N 2 1 282.388 -0.368 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC2(O)CCOCC2)C1 ZINC000639760984 357596478 /nfs/dbraw/zinc/59/64/78/357596478.db2.gz JUKFSRCDUVQXTC-AWEZNQCLSA-N 2 1 272.389 -0.084 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC2(O)CCOCC2)C1 ZINC000639760984 357596480 /nfs/dbraw/zinc/59/64/80/357596480.db2.gz JUKFSRCDUVQXTC-AWEZNQCLSA-N 2 1 272.389 -0.084 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943840 357620044 /nfs/dbraw/zinc/62/00/44/357620044.db2.gz GJYVRMDTALGWPB-BPNCWPANSA-N 2 1 283.372 -0.716 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943840 357620047 /nfs/dbraw/zinc/62/00/47/357620047.db2.gz GJYVRMDTALGWPB-BPNCWPANSA-N 2 1 283.372 -0.716 20 0 CBADMP C[N@H+](C[C@H](O)C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1)C1CC1 ZINC000639944768 357620062 /nfs/dbraw/zinc/62/00/62/357620062.db2.gz OXZLUSBGSXCTRJ-CQDKDKBSSA-N 2 1 295.383 -0.574 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1)C1CC1 ZINC000639944768 357620064 /nfs/dbraw/zinc/62/00/64/357620064.db2.gz OXZLUSBGSXCTRJ-CQDKDKBSSA-N 2 1 295.383 -0.574 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943842 357620208 /nfs/dbraw/zinc/62/02/08/357620208.db2.gz GJYVRMDTALGWPB-LEWSCRJBSA-N 2 1 283.372 -0.716 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943842 357620213 /nfs/dbraw/zinc/62/02/13/357620213.db2.gz GJYVRMDTALGWPB-LEWSCRJBSA-N 2 1 283.372 -0.716 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943842 357620216 /nfs/dbraw/zinc/62/02/16/357620216.db2.gz GJYVRMDTALGWPB-LEWSCRJBSA-N 2 1 283.372 -0.716 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943842 357620220 /nfs/dbraw/zinc/62/02/20/357620220.db2.gz GJYVRMDTALGWPB-LEWSCRJBSA-N 2 1 283.372 -0.716 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@@H](CO)C[NH+]2CCCC2)CC1 ZINC000640319768 357643244 /nfs/dbraw/zinc/64/32/44/357643244.db2.gz CVWRMUFJMLGEKX-LLVKDONJSA-N 2 1 255.362 -0.347 20 0 CBADMP Nc1[nH+]cccc1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641166548 357678090 /nfs/dbraw/zinc/67/80/90/357678090.db2.gz WMBCGLAOOANVJQ-UHFFFAOYSA-N 2 1 273.344 -0.291 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000640475314 357656047 /nfs/dbraw/zinc/65/60/47/357656047.db2.gz YNLNPEUZJARWAF-BXUZGUMPSA-N 2 1 267.373 -0.347 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000640475314 357656051 /nfs/dbraw/zinc/65/60/51/357656051.db2.gz YNLNPEUZJARWAF-BXUZGUMPSA-N 2 1 267.373 -0.347 20 0 CBADMP C[C@H]([NH3+])CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000641425024 357704769 /nfs/dbraw/zinc/70/47/69/357704769.db2.gz NHZOMNLOUUOJKA-LBPRGKRZSA-N 2 1 273.425 -0.142 20 0 CBADMP C[C@H]([NH3+])CNC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000641425024 357704773 /nfs/dbraw/zinc/70/47/73/357704773.db2.gz NHZOMNLOUUOJKA-LBPRGKRZSA-N 2 1 273.425 -0.142 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000642999930 357775536 /nfs/dbraw/zinc/77/55/36/357775536.db2.gz OLJBWLQYKFDENF-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP NS(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000641798639 357743332 /nfs/dbraw/zinc/74/33/32/357743332.db2.gz PAMNNRPTOWNENK-GARJFASQSA-N 2 1 261.391 -0.276 20 0 CBADMP CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641807951 357743627 /nfs/dbraw/zinc/74/36/27/357743627.db2.gz WCPHPNMMMQDHQN-WDEREUQCSA-N 2 1 284.404 -0.314 20 0 CBADMP Cn1c(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc(=O)n(C)c1=O ZINC000641803506 357743762 /nfs/dbraw/zinc/74/37/62/357743762.db2.gz GCOWTUQMOQLTON-VHSXEESVSA-N 2 1 266.345 -0.701 20 0 CBADMP CC(=O)N1CCN(C(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641808009 357743860 /nfs/dbraw/zinc/74/38/60/357743860.db2.gz XBJRDARGISYMHJ-NEPJUHHUSA-N 2 1 282.388 -0.608 20 0 CBADMP CCCNC(=O)CN(C)C(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641807950 357743900 /nfs/dbraw/zinc/74/39/00/357743900.db2.gz WCPHPNMMMQDHQN-QWRGUYRKSA-N 2 1 284.404 -0.314 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1(C)C ZINC000641824235 357745603 /nfs/dbraw/zinc/74/56/03/357745603.db2.gz GUAFZPXUPPMAEO-UHFFFAOYSA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1(C)C ZINC000641824235 357745604 /nfs/dbraw/zinc/74/56/04/357745604.db2.gz GUAFZPXUPPMAEO-UHFFFAOYSA-N 2 1 294.399 -0.511 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000641825939 357746729 /nfs/dbraw/zinc/74/67/29/357746729.db2.gz ZUYHEGRYKDKPQR-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000641825939 357746732 /nfs/dbraw/zinc/74/67/32/357746732.db2.gz ZUYHEGRYKDKPQR-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000641995226 357749620 /nfs/dbraw/zinc/74/96/20/357749620.db2.gz LJBNVHWSDHIIND-ZIAGYGMSSA-N 2 1 297.447 -0.128 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000642431140 357753996 /nfs/dbraw/zinc/75/39/96/357753996.db2.gz FHPUDYXIRMLGBY-LBPRGKRZSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642431208 357754354 /nfs/dbraw/zinc/75/43/54/357754354.db2.gz WOYZXRIWIZBLBO-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000642535628 357756705 /nfs/dbraw/zinc/75/67/05/357756705.db2.gz UCNWQYOJWQIRJY-NWDGAFQWSA-N 2 1 294.399 -0.402 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642712986 357759100 /nfs/dbraw/zinc/75/91/00/357759100.db2.gz ANBXBVUMVMFZQF-JTQLQIEISA-N 2 1 258.366 -0.702 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000642718688 357759737 /nfs/dbraw/zinc/75/97/37/357759737.db2.gz HHELTBONFWNCJD-DMDPSCGWSA-N 2 1 294.399 -0.594 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642773291 357761545 /nfs/dbraw/zinc/76/15/45/357761545.db2.gz JXOJHXXYYJZSOH-CYBMUJFWSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC[NH2+]1 ZINC000642785862 357761921 /nfs/dbraw/zinc/76/19/21/357761921.db2.gz OLRKOBNEAAFYMP-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP [NH3+][C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000642785843 357762641 /nfs/dbraw/zinc/76/26/41/357762641.db2.gz MSNWDOWVSBVUAS-OLZOCXBDSA-N 2 1 294.399 -0.560 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642808194 357763733 /nfs/dbraw/zinc/76/37/33/357763733.db2.gz HABSJSVZKKIERN-JTQLQIEISA-N 2 1 258.366 -0.702 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCC1 ZINC000642887379 357764895 /nfs/dbraw/zinc/76/48/95/357764895.db2.gz PHAFHSAZWCHIBY-NWDGAFQWSA-N 2 1 294.399 -0.273 20 0 CBADMP O=C(NCC[NH2+]C1CC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000642887427 357764933 /nfs/dbraw/zinc/76/49/33/357764933.db2.gz XDBCMGFMPAJWAA-OLZOCXBDSA-N 2 1 294.399 -0.402 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642902394 357765858 /nfs/dbraw/zinc/76/58/58/357765858.db2.gz RJRSDQCCMNBHMZ-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642904363 357766252 /nfs/dbraw/zinc/76/62/52/357766252.db2.gz UOABEOLSMRBNNC-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000642909548 357767253 /nfs/dbraw/zinc/76/72/53/357767253.db2.gz PABJKDWAGRQQRB-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000642909549 357767442 /nfs/dbraw/zinc/76/74/42/357767442.db2.gz PABJKDWAGRQQRB-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000642911760 357768369 /nfs/dbraw/zinc/76/83/69/357768369.db2.gz XINFQMNWGNTIMH-TUAOUCFPSA-N 2 1 282.388 -0.417 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)[NH3+])C[C@H]1C ZINC000642910576 357768832 /nfs/dbraw/zinc/76/88/32/357768832.db2.gz JCVZWFIPUKFEEO-MXWKQRLJSA-N 2 1 270.377 -0.609 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)[NH3+])C[C@H]1C ZINC000642910576 357768838 /nfs/dbraw/zinc/76/88/38/357768838.db2.gz JCVZWFIPUKFEEO-MXWKQRLJSA-N 2 1 270.377 -0.609 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000642910663 357768848 /nfs/dbraw/zinc/76/88/48/357768848.db2.gz LADJIXJXVABHEY-NSHDSACASA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[NH2+]C2CC2)C[C@@H]1C ZINC000642919254 357770282 /nfs/dbraw/zinc/77/02/82/357770282.db2.gz UTAFEVFMDYSAPK-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[NH2+]C2CC2)C[C@@H]1C ZINC000642919254 357770283 /nfs/dbraw/zinc/77/02/83/357770283.db2.gz UTAFEVFMDYSAPK-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000642929592 357771234 /nfs/dbraw/zinc/77/12/34/357771234.db2.gz FNZHQCKUNFKRCK-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000642929590 357771252 /nfs/dbraw/zinc/77/12/52/357771252.db2.gz FNZHQCKUNFKRCK-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642920129 357771319 /nfs/dbraw/zinc/77/13/19/357771319.db2.gz ZLQYUHNJTOODCD-ZDUSSCGKSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642920129 357771323 /nfs/dbraw/zinc/77/13/23/357771323.db2.gz ZLQYUHNJTOODCD-ZDUSSCGKSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000642978823 357773893 /nfs/dbraw/zinc/77/38/93/357773893.db2.gz QMQIAAWFVTVZGJ-UHFFFAOYSA-N 2 1 282.388 -0.462 20 0 CBADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000642988389 357774367 /nfs/dbraw/zinc/77/43/67/357774367.db2.gz HAESEGFULHHZAN-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000642988386 357774928 /nfs/dbraw/zinc/77/49/28/357774928.db2.gz HAESEGFULHHZAN-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCC[NH+](C)C)CC1 ZINC000643216381 357779143 /nfs/dbraw/zinc/77/91/43/357779143.db2.gz PZNKSZRKGXRFOI-UHFFFAOYSA-N 2 1 299.419 -0.552 20 0 CBADMP C[C@@H](NCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000643472206 357784066 /nfs/dbraw/zinc/78/40/66/357784066.db2.gz HOCQXWWINDZDOG-NEPJUHHUSA-N 2 1 254.378 -0.510 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000643471959 357784275 /nfs/dbraw/zinc/78/42/75/357784275.db2.gz XTZREIBCBOVNME-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000417240914 283352361 /nfs/dbraw/zinc/35/23/61/283352361.db2.gz QMMRDSKQURRNFK-CQSZACIVSA-N 2 1 297.447 -0.077 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000111695851 283362426 /nfs/dbraw/zinc/36/24/26/283362426.db2.gz CSONEIHTUJYBQY-GUBZILKMSA-N 2 1 256.350 -0.110 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000111695851 283362430 /nfs/dbraw/zinc/36/24/30/283362430.db2.gz CSONEIHTUJYBQY-GUBZILKMSA-N 2 1 256.350 -0.110 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000423339458 291151351 /nfs/dbraw/zinc/15/13/51/291151351.db2.gz VCROTRGCFWAEPO-QWRGUYRKSA-N 2 1 271.361 -0.133 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000516572522 291151619 /nfs/dbraw/zinc/15/16/19/291151619.db2.gz KIQHMVMVXDZPGB-MXWKQRLJSA-N 2 1 271.361 -0.182 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419414615 283385069 /nfs/dbraw/zinc/38/50/69/283385069.db2.gz TZSGOHJVYGBSSH-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP C[NH+](C)CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000341850759 216125318 /nfs/dbraw/zinc/12/53/18/216125318.db2.gz WKXCDNDMAHMJPW-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186650846 296015322 /nfs/dbraw/zinc/01/53/22/296015322.db2.gz BVXBPBAMBNZGKT-NEPJUHHUSA-N 2 1 280.372 -0.839 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000361738928 296056398 /nfs/dbraw/zinc/05/63/98/296056398.db2.gz GOKZKASTGZJEEH-RFQIPJPRSA-N 2 1 279.384 -0.083 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000361738928 296056400 /nfs/dbraw/zinc/05/64/00/296056400.db2.gz GOKZKASTGZJEEH-RFQIPJPRSA-N 2 1 279.384 -0.083 20 0 CBADMP O=C([C@H]1CC[NH2+]C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186682677 296124392 /nfs/dbraw/zinc/12/43/92/296124392.db2.gz KZJXAPVZKPHGMQ-NWDGAFQWSA-N 2 1 280.372 -0.981 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000574288657 335007248 /nfs/dbraw/zinc/00/72/48/335007248.db2.gz QDLKRYSVDDECLF-MCIONIFRSA-N 2 1 271.405 -0.296 20 0 CBADMP Cc1nccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)n1 ZINC000574324338 335010600 /nfs/dbraw/zinc/01/06/00/335010600.db2.gz HHLLZKSQEZWXFJ-UHFFFAOYSA-N 2 1 290.415 -0.188 20 0 CBADMP COC[C@]1(C(=O)N2CC[NH2+]C[C@](C)(F)C2)CC[NH2+]C1 ZINC000331681437 204069719 /nfs/dbraw/zinc/06/97/19/204069719.db2.gz USKXEKUOHPDJQR-STQMWFEESA-N 2 1 273.352 -0.228 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000418474027 296184246 /nfs/dbraw/zinc/18/42/46/296184246.db2.gz SCDAHDACHLNTCU-JHJVBQTASA-N 2 1 284.404 -0.178 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000068807911 372764889 /nfs/dbraw/zinc/76/48/89/372764889.db2.gz OMAADEHKVOOILV-WCQYABFASA-N 2 1 254.378 -0.652 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000333146230 205067653 /nfs/dbraw/zinc/06/76/53/205067653.db2.gz DQKHUQAWLCGRJZ-MJBXVCDLSA-N 2 1 296.415 -0.042 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070174613 372767206 /nfs/dbraw/zinc/76/72/06/372767206.db2.gz YVUAMQCMEJMXFQ-UWVGGRQHSA-N 2 1 256.350 -0.109 20 0 CBADMP CC[C@@H](Cn1cncn1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000353425106 220075146 /nfs/dbraw/zinc/07/51/46/220075146.db2.gz IPHDHTKJUVPLJC-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[C@H](Cn1cncn1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000353425105 220075751 /nfs/dbraw/zinc/07/57/51/220075751.db2.gz IPHDHTKJUVPLJC-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000353425449 220076056 /nfs/dbraw/zinc/07/60/56/220076056.db2.gz KCXDQKRTRJCZLO-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000249092268 372894002 /nfs/dbraw/zinc/89/40/02/372894002.db2.gz WJLMKNXWCWQJID-SDDRHHMPSA-N 2 1 253.346 -0.330 20 0 CBADMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CNC(=O)C[NH3+] ZINC000251781023 372897120 /nfs/dbraw/zinc/89/71/20/372897120.db2.gz MXSGKILQFYSWEZ-QWRGUYRKSA-N 2 1 268.361 -0.854 20 0 CBADMP [NH3+]CCCC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000237900170 372880539 /nfs/dbraw/zinc/88/05/39/372880539.db2.gz STVUZAYQNGAODN-UHFFFAOYSA-N 2 1 296.415 -0.118 20 0 CBADMP [NH3+]CCCC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000237900170 372880545 /nfs/dbraw/zinc/88/05/45/372880545.db2.gz STVUZAYQNGAODN-UHFFFAOYSA-N 2 1 296.415 -0.118 20 0 CBADMP COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262052756 372908647 /nfs/dbraw/zinc/90/86/47/372908647.db2.gz ZVTDWEILXLJPAI-NWDGAFQWSA-N 2 1 256.346 -0.016 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000262804124 372910978 /nfs/dbraw/zinc/91/09/78/372910978.db2.gz RPXDHICPYKGUCA-QWHCGFSZSA-N 2 1 287.404 -0.177 20 0 CBADMP C[NH2+][C@H](C(=O)NCCC[N@H+](C)CCOC)c1cnn(C)c1 ZINC000285813695 372944916 /nfs/dbraw/zinc/94/49/16/372944916.db2.gz SDAAVPGWWDHWRZ-ZDUSSCGKSA-N 2 1 297.403 -0.235 20 0 CBADMP C[NH2+][C@H](C(=O)NCCC[N@@H+](C)CCOC)c1cnn(C)c1 ZINC000285813695 372944922 /nfs/dbraw/zinc/94/49/22/372944922.db2.gz SDAAVPGWWDHWRZ-ZDUSSCGKSA-N 2 1 297.403 -0.235 20 0 CBADMP C[NH2+][C@@H](C(=O)N1CCC[N@H+](C)CC1)c1cnn(C)c1 ZINC000285924265 372947722 /nfs/dbraw/zinc/94/77/22/372947722.db2.gz FEBDIXDGWZTGJE-GFCCVEGCSA-N 2 1 265.361 -0.155 20 0 CBADMP C[NH2+][C@@H](C(=O)N1CCC[N@@H+](C)CC1)c1cnn(C)c1 ZINC000285924265 372947734 /nfs/dbraw/zinc/94/77/34/372947734.db2.gz FEBDIXDGWZTGJE-GFCCVEGCSA-N 2 1 265.361 -0.155 20 0 CBADMP CN(CCC[NH3+])Cc1cn(C[C@@H](O)C[N@@H+](C)C2CC2)nn1 ZINC000328013318 372972861 /nfs/dbraw/zinc/97/28/61/372972861.db2.gz QNVKDNRSRYBIOA-AWEZNQCLSA-N 2 1 296.419 -0.486 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000331665406 372998342 /nfs/dbraw/zinc/99/83/42/372998342.db2.gz QXAFOYUHQWYAPQ-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332195748 373003154 /nfs/dbraw/zinc/00/31/54/373003154.db2.gz XUHPOEYRHKFOMC-NWDGAFQWSA-N 2 1 280.372 -0.839 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332195748 373003161 /nfs/dbraw/zinc/00/31/61/373003161.db2.gz XUHPOEYRHKFOMC-NWDGAFQWSA-N 2 1 280.372 -0.839 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[C@@H]21 ZINC000332725700 373004366 /nfs/dbraw/zinc/00/43/66/373004366.db2.gz PSZSITMGZYRCDL-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[C@H]21 ZINC000332725701 373004722 /nfs/dbraw/zinc/00/47/22/373004722.db2.gz PSZSITMGZYRCDL-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)NCCN2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000333422284 373009802 /nfs/dbraw/zinc/00/98/02/373009802.db2.gz SRIHMWXKBNWBAB-QWHCGFSZSA-N 2 1 295.431 -0.184 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333430223 205312474 /nfs/dbraw/zinc/31/24/74/205312474.db2.gz UKYMFWUVUNNATP-RYDUCSDGSA-N 2 1 282.388 -0.557 20 0 CBADMP COCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000338371371 373029012 /nfs/dbraw/zinc/02/90/12/373029012.db2.gz HMRRRIMVGFMEOZ-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP COCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000338371371 373029036 /nfs/dbraw/zinc/02/90/36/373029036.db2.gz HMRRRIMVGFMEOZ-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP [NH3+][C@H](C(=O)NCCC[NH+]1CCOCC1)C1CCOCC1 ZINC000337800538 373030672 /nfs/dbraw/zinc/03/06/72/373030672.db2.gz HKYOWIOJUNNPPI-ZDUSSCGKSA-N 2 1 285.388 -0.421 20 0 CBADMP C[C@@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[N@@H+](C)C1CC1 ZINC000333458107 205336573 /nfs/dbraw/zinc/33/65/73/205336573.db2.gz YPZVJYJTMQDVAM-DLOVCJGASA-N 2 1 270.377 -0.557 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000333489730 205368577 /nfs/dbraw/zinc/36/85/77/205368577.db2.gz DCGPISAXVUDIAN-UPJWGTAASA-N 2 1 284.404 -0.165 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000342089827 373043943 /nfs/dbraw/zinc/04/39/43/373043943.db2.gz BMKOJMBXSZPKNL-IJLUTSLNSA-N 2 1 280.372 -0.996 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000342089827 373043948 /nfs/dbraw/zinc/04/39/48/373043948.db2.gz BMKOJMBXSZPKNL-IJLUTSLNSA-N 2 1 280.372 -0.996 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349029325 373086802 /nfs/dbraw/zinc/08/68/02/373086802.db2.gz QLTSJAQAXIMMOT-ZWNOBZJWSA-N 2 1 267.373 -0.036 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH+](C)C)C1 ZINC000353553274 220154287 /nfs/dbraw/zinc/15/42/87/220154287.db2.gz QURMMSWGPDIBEB-VXGBXAGGSA-N 2 1 272.393 -0.044 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351533807 373097004 /nfs/dbraw/zinc/09/70/04/373097004.db2.gz IZLNIPIQYBTBHM-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351541011 373098226 /nfs/dbraw/zinc/09/82/26/373098226.db2.gz PAJYJBXDJROKBG-STQMWFEESA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000351860181 373099359 /nfs/dbraw/zinc/09/93/59/373099359.db2.gz HTEPZOICXRNCRQ-RVMXOQNASA-N 2 1 296.415 -0.232 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000351850574 373099478 /nfs/dbraw/zinc/09/94/78/373099478.db2.gz JCVXODYTWZOPCI-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000351850574 373099489 /nfs/dbraw/zinc/09/94/89/373099489.db2.gz JCVXODYTWZOPCI-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[C@](C)([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000353589343 373113451 /nfs/dbraw/zinc/11/34/51/373113451.db2.gz MDYKARZQBRRKPO-RISCZKNCSA-N 2 1 284.404 -0.040 20 0 CBADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353469016 373114003 /nfs/dbraw/zinc/11/40/03/373114003.db2.gz FQQLJAVICRETRX-VWYCJHECSA-N 2 1 270.377 -0.574 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353469016 373114011 /nfs/dbraw/zinc/11/40/11/373114011.db2.gz FQQLJAVICRETRX-VWYCJHECSA-N 2 1 270.377 -0.574 20 0 CBADMP C[C@@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)C[NH+]1CCOCC1 ZINC000357205392 373168730 /nfs/dbraw/zinc/16/87/30/373168730.db2.gz VVQKOKQMLNPFLH-RYUDHWBXSA-N 2 1 269.389 -0.074 20 0 CBADMP C[C@H](CC(N)=O)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000361183399 373265142 /nfs/dbraw/zinc/26/51/42/373265142.db2.gz UVCWYXOIAAVCSF-GFCCVEGCSA-N 2 1 256.394 -0.133 20 0 CBADMP CN(CCC[N@@H+](C)[C@H]1COC[C@H]1O)CC[NH+](C)C ZINC000361394842 373287564 /nfs/dbraw/zinc/28/75/64/373287564.db2.gz ITBJWMNBXGFJQF-QWHCGFSZSA-N 2 1 259.394 -0.439 20 0 CBADMP CC(C)(C)[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000362066425 373364004 /nfs/dbraw/zinc/36/40/04/373364004.db2.gz NJHHYBFCTGCNLB-GFCCVEGCSA-N 2 1 268.405 -0.119 20 0 CBADMP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000362066428 373364536 /nfs/dbraw/zinc/36/45/36/373364536.db2.gz NJHHYBFCTGCNLB-LBPRGKRZSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000362761783 373444092 /nfs/dbraw/zinc/44/40/92/373444092.db2.gz BUHIAAKXLAKHAG-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000362761783 373444098 /nfs/dbraw/zinc/44/40/98/373444098.db2.gz BUHIAAKXLAKHAG-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000362761783 373444110 /nfs/dbraw/zinc/44/41/10/373444110.db2.gz BUHIAAKXLAKHAG-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000362883396 373458659 /nfs/dbraw/zinc/45/86/59/373458659.db2.gz QZLZFOMUPXAISL-YVECIDJPSA-N 2 1 267.373 -0.275 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363256519 373485217 /nfs/dbraw/zinc/48/52/17/373485217.db2.gz LIELMUXHJJSXDX-GRYCIOLGSA-N 2 1 280.372 -0.013 20 0 CBADMP NC(=O)NC(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363256519 373485223 /nfs/dbraw/zinc/48/52/23/373485223.db2.gz LIELMUXHJJSXDX-GRYCIOLGSA-N 2 1 280.372 -0.013 20 0 CBADMP NC(=O)NC(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363256519 373485228 /nfs/dbraw/zinc/48/52/28/373485228.db2.gz LIELMUXHJJSXDX-GRYCIOLGSA-N 2 1 280.372 -0.013 20 0 CBADMP CCN1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1=O ZINC000391608065 373580975 /nfs/dbraw/zinc/58/09/75/373580975.db2.gz VPPUVARYCWTROP-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000376455355 373571447 /nfs/dbraw/zinc/57/14/47/373571447.db2.gz QFTFEDSODFZKAO-WUHRBBMRSA-N 2 1 285.388 -0.987 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000376455355 373571458 /nfs/dbraw/zinc/57/14/58/373571458.db2.gz QFTFEDSODFZKAO-WUHRBBMRSA-N 2 1 285.388 -0.987 20 0 CBADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000377291995 373575961 /nfs/dbraw/zinc/57/59/61/373575961.db2.gz OLJFBDSPLKMBKL-LOWDOPEQSA-N 2 1 267.373 -0.206 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417442551 373628379 /nfs/dbraw/zinc/62/83/79/373628379.db2.gz VBNDEMPBFFWZND-CQSZACIVSA-N 2 1 284.404 -0.040 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000417438624 373629641 /nfs/dbraw/zinc/62/96/41/373629641.db2.gz JXRXCKIWDCOQIG-LLVKDONJSA-N 2 1 258.366 -0.432 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000417440844 373629668 /nfs/dbraw/zinc/62/96/68/373629668.db2.gz PDXPMNQJKULKRM-NEPJUHHUSA-N 2 1 272.393 -0.057 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417438626 373629754 /nfs/dbraw/zinc/62/97/54/373629754.db2.gz JXSRRDQQMYMZSC-LLVKDONJSA-N 2 1 258.366 -0.399 20 0 CBADMP [NH3+][C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000418494362 373631600 /nfs/dbraw/zinc/63/16/00/373631600.db2.gz XSZZPDNRPRICAU-CHWSQXEVSA-N 2 1 284.404 -0.130 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000418347330 373631996 /nfs/dbraw/zinc/63/19/96/373631996.db2.gz CZTIEBFMYDWUEP-SRVKXCTJSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419095542 373635224 /nfs/dbraw/zinc/63/52/24/373635224.db2.gz CLBFIXXBLMRZTN-WDEREUQCSA-N 2 1 282.388 -0.594 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)C1CC1 ZINC000419101082 373635673 /nfs/dbraw/zinc/63/56/73/373635673.db2.gz JVPQFBWXICHSTG-UHFFFAOYSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C[N@H+]1C1CC1 ZINC000419316925 373638616 /nfs/dbraw/zinc/63/86/16/373638616.db2.gz MJDWSOAKMJBNEO-CDMKHQONSA-N 2 1 294.399 -0.419 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000419586411 373640909 /nfs/dbraw/zinc/64/09/09/373640909.db2.gz MWIUAUHUNYADOT-ZYHUDNBSSA-N 2 1 284.404 -0.315 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCC[NH2+]C)C[C@H]1C ZINC000419849065 373641576 /nfs/dbraw/zinc/64/15/76/373641576.db2.gz WPVSMGWJUSWCCD-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCC[NH2+]C)C[C@H]1C ZINC000419849065 373641588 /nfs/dbraw/zinc/64/15/88/373641588.db2.gz WPVSMGWJUSWCCD-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419874532 373642847 /nfs/dbraw/zinc/64/28/47/373642847.db2.gz WBWJLTDZVFGUQS-STQMWFEESA-N 2 1 296.415 -0.219 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC[N@@H+]1C ZINC000419963337 373644653 /nfs/dbraw/zinc/64/46/53/373644653.db2.gz VXNDHNCGWDQUPX-VXGBXAGGSA-N 2 1 284.404 -0.504 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC[N@H+]1C ZINC000419963337 373644658 /nfs/dbraw/zinc/64/46/58/373644658.db2.gz VXNDHNCGWDQUPX-VXGBXAGGSA-N 2 1 284.404 -0.504 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C[C@@H](C)[NH2+]1 ZINC000423515635 373658576 /nfs/dbraw/zinc/65/85/76/373658576.db2.gz FVWUOOHUPVVNSO-VXGBXAGGSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000420107257 373649324 /nfs/dbraw/zinc/64/93/24/373649324.db2.gz ASAFGJRSTJJNBC-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423368454 373654886 /nfs/dbraw/zinc/65/48/86/373654886.db2.gz ZWFXMZZRJCXOPI-CHWSQXEVSA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423368454 373654895 /nfs/dbraw/zinc/65/48/95/373654895.db2.gz ZWFXMZZRJCXOPI-CHWSQXEVSA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423611575 373659248 /nfs/dbraw/zinc/65/92/48/373659248.db2.gz SDDUGQBZQNLSNB-XQQFMLRXSA-N 2 1 267.373 -0.227 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423611575 373659254 /nfs/dbraw/zinc/65/92/54/373659254.db2.gz SDDUGQBZQNLSNB-XQQFMLRXSA-N 2 1 267.373 -0.227 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000423645660 373660082 /nfs/dbraw/zinc/66/00/82/373660082.db2.gz LALRPCJTYPAYBQ-CHWSQXEVSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[N@H+]1C ZINC000423645660 373660089 /nfs/dbraw/zinc/66/00/89/373660089.db2.gz LALRPCJTYPAYBQ-CHWSQXEVSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000433134312 373675400 /nfs/dbraw/zinc/67/54/00/373675400.db2.gz GNXBUBXXEXLECH-VXGBXAGGSA-N 2 1 284.404 -0.327 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430950865 373675852 /nfs/dbraw/zinc/67/58/52/373675852.db2.gz JIVJRYHAORYHSP-YPMHNXCESA-N 2 1 282.388 -0.654 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430950865 373675857 /nfs/dbraw/zinc/67/58/57/373675857.db2.gz JIVJRYHAORYHSP-YPMHNXCESA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)(C)n1cncn1 ZINC000438822875 373677940 /nfs/dbraw/zinc/67/79/40/373677940.db2.gz ATUYVFVGVAWCSR-QWRGUYRKSA-N 2 1 255.366 -0.086 20 0 CBADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000446364800 373685259 /nfs/dbraw/zinc/68/52/59/373685259.db2.gz WJLMKNXWCWQJID-SRVKXCTJSA-N 2 1 253.346 -0.330 20 0 CBADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479276760 373698497 /nfs/dbraw/zinc/69/84/97/373698497.db2.gz YQOCELAMSDVQCB-IRCOFANPSA-N 2 1 253.346 -0.596 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000514596463 373755664 /nfs/dbraw/zinc/75/56/64/373755664.db2.gz VGCYDZTWKYLHAX-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(C[NH3+])CC2)CC1 ZINC000514727229 373763617 /nfs/dbraw/zinc/76/36/17/373763617.db2.gz PCHMOKKTHWJIIF-UHFFFAOYSA-N 3 1 268.405 -0.179 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000514859672 373768498 /nfs/dbraw/zinc/76/84/98/373768498.db2.gz FIEDMPCGDKYNKC-GFCCVEGCSA-N 2 1 285.388 -0.408 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000516285755 373809417 /nfs/dbraw/zinc/80/94/17/373809417.db2.gz YGNVSCQHRIEEQS-SRVKXCTJSA-N 2 1 255.362 -0.097 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000516285754 373809579 /nfs/dbraw/zinc/80/95/79/373809579.db2.gz YGNVSCQHRIEEQS-SDDRHHMPSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@@H](CNC(=O)COC1CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC000515381101 373785939 /nfs/dbraw/zinc/78/59/39/373785939.db2.gz UAAUXKCWWRIXLC-ZDUSSCGKSA-N 2 1 299.415 -0.161 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000515380721 373787087 /nfs/dbraw/zinc/78/70/87/373787087.db2.gz FOHUDEQIDIRALM-JQWIXIFHSA-N 2 1 292.387 -0.161 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000515465200 373789639 /nfs/dbraw/zinc/78/96/39/373789639.db2.gz FWZSFPLMIILREE-LBPRGKRZSA-N 2 1 294.399 -0.449 20 0 CBADMP Cn1cc(CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)cn1 ZINC000516071128 373802396 /nfs/dbraw/zinc/80/23/96/373802396.db2.gz DFBGUKNNEXRHCB-UHFFFAOYSA-N 2 1 292.431 -0.557 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000522138507 373860811 /nfs/dbraw/zinc/86/08/11/373860811.db2.gz UQVJJQVXSDGCCS-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000522138507 373860815 /nfs/dbraw/zinc/86/08/15/373860815.db2.gz UQVJJQVXSDGCCS-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000522138507 373860819 /nfs/dbraw/zinc/86/08/19/373860819.db2.gz UQVJJQVXSDGCCS-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522147329 373862480 /nfs/dbraw/zinc/86/24/80/373862480.db2.gz BJPFKQHXQWANQW-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522147329 373862484 /nfs/dbraw/zinc/86/24/84/373862484.db2.gz BJPFKQHXQWANQW-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522147329 373862489 /nfs/dbraw/zinc/86/24/89/373862489.db2.gz BJPFKQHXQWANQW-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)O1 ZINC000527552840 373925767 /nfs/dbraw/zinc/92/57/67/373925767.db2.gz FXVZZQPSDOLZRY-UXIGCNINSA-N 2 1 297.399 -0.722 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)O1 ZINC000527552840 373925773 /nfs/dbraw/zinc/92/57/73/373925773.db2.gz FXVZZQPSDOLZRY-UXIGCNINSA-N 2 1 297.399 -0.722 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)O1 ZINC000527552839 373926128 /nfs/dbraw/zinc/92/61/28/373926128.db2.gz FXVZZQPSDOLZRY-KYOSRNDESA-N 2 1 297.399 -0.722 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)O1 ZINC000527552839 373926134 /nfs/dbraw/zinc/92/61/34/373926134.db2.gz FXVZZQPSDOLZRY-KYOSRNDESA-N 2 1 297.399 -0.722 20 0 CBADMP CCC[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000353666863 220240601 /nfs/dbraw/zinc/24/06/01/220240601.db2.gz DEOALIGGQGVSKT-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529297378 373999725 /nfs/dbraw/zinc/99/97/25/373999725.db2.gz DPHAKALIWXRIJC-MNOVXSKESA-N 2 1 256.350 -0.632 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000529384324 374021885 /nfs/dbraw/zinc/02/18/85/374021885.db2.gz AQOOVNWBBAYJHT-STQMWFEESA-N 2 1 278.356 -0.141 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000529384324 374021888 /nfs/dbraw/zinc/02/18/88/374021888.db2.gz AQOOVNWBBAYJHT-STQMWFEESA-N 2 1 278.356 -0.141 20 0 CBADMP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000529384036 374022133 /nfs/dbraw/zinc/02/21/33/374022133.db2.gz XWGPQQGHMYZQCT-AAEUAGOBSA-N 2 1 282.388 -0.147 20 0 CBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3COCC[NH2+]3)C2)C1 ZINC000529386311 374024597 /nfs/dbraw/zinc/02/45/97/374024597.db2.gz KXLWEZFOUTURNF-GXTWGEPZSA-N 2 1 282.388 -0.288 20 0 CBADMP O=C(N1CC[NH2+]CC1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000530221522 374066476 /nfs/dbraw/zinc/06/64/76/374066476.db2.gz FRQWYCFRWNEWHQ-CQSZACIVSA-N 2 1 295.431 -0.371 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000531435543 374133156 /nfs/dbraw/zinc/13/31/56/374133156.db2.gz VFIYINHKHRUTNR-OCCSQVGLSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000531435543 374133160 /nfs/dbraw/zinc/13/31/60/374133160.db2.gz VFIYINHKHRUTNR-OCCSQVGLSA-N 2 1 285.388 -0.863 20 0 CBADMP CC(=O)NCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000531509713 374137158 /nfs/dbraw/zinc/13/71/58/374137158.db2.gz ICTHYLAUABTMOJ-UHFFFAOYSA-N 2 1 291.355 -0.092 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000531975433 374155869 /nfs/dbraw/zinc/15/58/69/374155869.db2.gz IOEXPQLUMJAGEI-CYBMUJFWSA-N 2 1 279.388 -0.043 20 0 CBADMP CN(C)C(=O)C(C)(C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000549140351 374224347 /nfs/dbraw/zinc/22/43/47/374224347.db2.gz VSIRSBSCCJSQJR-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP C[NH+](CCCC[N@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000552006500 374257242 /nfs/dbraw/zinc/25/72/42/374257242.db2.gz BLLJPHUNPLXDIA-AAVRWANBSA-N 2 1 288.388 -0.850 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000554560119 374277890 /nfs/dbraw/zinc/27/78/90/374277890.db2.gz ALMYFPUBRQWUDZ-QWHCGFSZSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000554560119 374277898 /nfs/dbraw/zinc/27/78/98/374277898.db2.gz ALMYFPUBRQWUDZ-QWHCGFSZSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000566511617 374330469 /nfs/dbraw/zinc/33/04/69/374330469.db2.gz WTONFCMSXDFDTO-SCVCMEIPSA-N 2 1 280.372 -0.937 20 0 CBADMP C[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000577850998 374340025 /nfs/dbraw/zinc/34/00/25/374340025.db2.gz WVIVUBKBPDUUMM-QWHCGFSZSA-N 2 1 268.405 -0.262 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CC[NH2+]C2CC2)C1 ZINC000577866160 374342422 /nfs/dbraw/zinc/34/24/22/374342422.db2.gz ZZXWXNWDOGQFEC-GFCCVEGCSA-N 2 1 296.415 -0.168 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC[C@@H]21 ZINC000584470995 374374734 /nfs/dbraw/zinc/37/47/34/374374734.db2.gz SERKJCKZHUJQAI-XQHKEYJVSA-N 2 1 267.373 -0.348 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CCOC3C[NH2+]C3)[C@H]2C1 ZINC000583320413 374361572 /nfs/dbraw/zinc/36/15/72/374361572.db2.gz SJDHNZUCBGZMQR-YPMHNXCESA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000584478414 374375054 /nfs/dbraw/zinc/37/50/54/374375054.db2.gz RJOLEOLFPYXGRF-YNEHKIRRSA-N 2 1 260.378 -0.324 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000584478414 374375060 /nfs/dbraw/zinc/37/50/60/374375060.db2.gz RJOLEOLFPYXGRF-YNEHKIRRSA-N 2 1 260.378 -0.324 20 0 CBADMP O=C(NCC[N@@H+]1CC=CCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000584400654 374371561 /nfs/dbraw/zinc/37/15/61/374371561.db2.gz KFVCXXKAGXCDOX-CYBMUJFWSA-N 2 1 282.388 -0.074 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000644164142 374498404 /nfs/dbraw/zinc/49/84/04/374498404.db2.gz WWOKFGGQMOPIDU-ZIAGYGMSSA-N 2 1 290.367 -0.067 20 0 CBADMP COCC[N@H+]1CC[C@H](NC[C@H](O)C[NH+](C)C2CC2)C1 ZINC000644554023 374592323 /nfs/dbraw/zinc/59/23/23/374592323.db2.gz FMYCYTITOFWGIG-JSGCOSHPSA-N 2 1 271.405 -0.248 20 0 CBADMP COCC[NH+]1CC[C@H](NC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000644554023 374592330 /nfs/dbraw/zinc/59/23/30/374592330.db2.gz FMYCYTITOFWGIG-JSGCOSHPSA-N 2 1 271.405 -0.248 20 0 CBADMP COCC[NH+]1CC[C@H](NC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644554023 374592337 /nfs/dbraw/zinc/59/23/37/374592337.db2.gz FMYCYTITOFWGIG-JSGCOSHPSA-N 2 1 271.405 -0.248 20 0 CBADMP CCc1nncn1CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000644572297 374597236 /nfs/dbraw/zinc/59/72/36/374597236.db2.gz QEUSRBHDPGAXDG-GFCCVEGCSA-N 2 1 267.377 -0.115 20 0 CBADMP CCc1nncn1CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000644572297 374597242 /nfs/dbraw/zinc/59/72/42/374597242.db2.gz QEUSRBHDPGAXDG-GFCCVEGCSA-N 2 1 267.377 -0.115 20 0 CBADMP CC(C)OCC[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000646137215 374747072 /nfs/dbraw/zinc/74/70/72/374747072.db2.gz HDDBMIDBIWJVES-UHFFFAOYSA-N 2 1 273.377 -0.469 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000645953475 374716610 /nfs/dbraw/zinc/71/66/10/374716610.db2.gz VIDOIRZVMXNUDN-NEPJUHHUSA-N 2 1 253.346 -0.425 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1C[NH2+]CCO1 ZINC000645953478 374719526 /nfs/dbraw/zinc/71/95/26/374719526.db2.gz VIDOIRZVMXNUDN-VXGBXAGGSA-N 2 1 253.346 -0.425 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C3(C)C[NH2+]C3)C2)CC1 ZINC000645977968 374720600 /nfs/dbraw/zinc/72/06/00/374720600.db2.gz PAHIZAJTMUCCSD-GFCCVEGCSA-N 2 1 280.416 -0.119 20 0 CBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C3(C)C[NH2+]C3)C2)CC1 ZINC000645977968 374720606 /nfs/dbraw/zinc/72/06/06/374720606.db2.gz PAHIZAJTMUCCSD-GFCCVEGCSA-N 2 1 280.416 -0.119 20 0 CBADMP CC[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000646002862 374724555 /nfs/dbraw/zinc/72/45/55/374724555.db2.gz HTNNIGDGAPAWLK-CHWSQXEVSA-N 2 1 268.405 -0.038 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)COCC[NH3+])CC2)C1 ZINC000646002757 374725053 /nfs/dbraw/zinc/72/50/53/374725053.db2.gz BSWZBVQHRLJCCO-ZDUSSCGKSA-N 2 1 284.404 -0.800 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CC[NH2+]3)CC2)C1 ZINC000646003127 374725305 /nfs/dbraw/zinc/72/53/05/374725305.db2.gz SVPXLQZNELRBIA-CHWSQXEVSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009372 374726387 /nfs/dbraw/zinc/72/63/87/374726387.db2.gz FSHFTHSETODBAM-KGLIPLIRSA-N 2 1 298.431 -0.635 20 0 CBADMP C[NH+]1CCC2(CC1)C[N@H+](CCCS(N)(=O)=O)CCO2 ZINC000646104285 374740584 /nfs/dbraw/zinc/74/05/84/374740584.db2.gz ICXHSKVQNFOVIO-UHFFFAOYSA-N 2 1 291.417 -0.538 20 0 CBADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCS(N)(=O)=O)CCO2 ZINC000646104285 374740590 /nfs/dbraw/zinc/74/05/90/374740590.db2.gz ICXHSKVQNFOVIO-UHFFFAOYSA-N 2 1 291.417 -0.538 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000646363862 374774666 /nfs/dbraw/zinc/77/46/66/374774666.db2.gz DYXGYYXBQKVFLF-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CN1CCNCC1=O ZINC000646453906 374779817 /nfs/dbraw/zinc/77/98/17/374779817.db2.gz KJEJYEABQWQUJQ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP O=C(CCOC1C[NH2+]C1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000647028354 374864411 /nfs/dbraw/zinc/86/44/11/374864411.db2.gz DLWSHASWHNWMBM-AWEZNQCLSA-N 2 1 290.367 -0.067 20 0 CBADMP O=C(CCOC1C[NH2+]C1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000647028355 374865096 /nfs/dbraw/zinc/86/50/96/374865096.db2.gz DLWSHASWHNWMBM-CQSZACIVSA-N 2 1 290.367 -0.067 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000647086620 374884686 /nfs/dbraw/zinc/88/46/86/374884686.db2.gz MUCKEFBJZJIYDN-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000646913367 374840213 /nfs/dbraw/zinc/84/02/13/374840213.db2.gz DQSHKZZEZWVFGF-XQQFMLRXSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000646913367 374840216 /nfs/dbraw/zinc/84/02/16/374840216.db2.gz DQSHKZZEZWVFGF-XQQFMLRXSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000646913367 374840223 /nfs/dbraw/zinc/84/02/23/374840223.db2.gz DQSHKZZEZWVFGF-XQQFMLRXSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000646913367 374840226 /nfs/dbraw/zinc/84/02/26/374840226.db2.gz DQSHKZZEZWVFGF-XQQFMLRXSA-N 2 1 267.373 -0.130 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)N1CC[NH+](C)CC1 ZINC000646936987 374844075 /nfs/dbraw/zinc/84/40/75/374844075.db2.gz CMSXDFGUGDITKL-MCIONIFRSA-N 2 1 280.416 -0.215 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)N1CC[NH+](C)CC1 ZINC000646936987 374844080 /nfs/dbraw/zinc/84/40/80/374844080.db2.gz CMSXDFGUGDITKL-MCIONIFRSA-N 2 1 280.416 -0.215 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000646974911 374854326 /nfs/dbraw/zinc/85/43/26/374854326.db2.gz LZINHZKOMFMTFS-AVGNSLFASA-N 2 1 294.399 -0.593 20 0 CBADMP [NH3+]CCOCC(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000647001651 374858803 /nfs/dbraw/zinc/85/88/03/374858803.db2.gz HOXBLPZWUYXVQV-UHFFFAOYSA-N 2 1 290.327 -0.156 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000574573102 335030827 /nfs/dbraw/zinc/03/08/27/335030827.db2.gz QJVZFZWHNJUBLS-NEPJUHHUSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)N1CCNCC1 ZINC000574573102 335030828 /nfs/dbraw/zinc/03/08/28/335030828.db2.gz QJVZFZWHNJUBLS-NEPJUHHUSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)N1CCNCC1 ZINC000574573102 335030831 /nfs/dbraw/zinc/03/08/31/335030831.db2.gz QJVZFZWHNJUBLS-NEPJUHHUSA-N 2 1 254.378 -0.523 20 0 CBADMP C[NH2+][C@@H](C(=O)NCC[N@H+](C)C1CC1)c1cnn(C)c1 ZINC000262336432 190053828 /nfs/dbraw/zinc/05/38/28/190053828.db2.gz HJPSEGAGHRLMJG-GFCCVEGCSA-N 2 1 265.361 -0.109 20 0 CBADMP C[NH2+][C@@H](C(=O)NCC[N@@H+](C)C1CC1)c1cnn(C)c1 ZINC000262336432 190053829 /nfs/dbraw/zinc/05/38/29/190053829.db2.gz HJPSEGAGHRLMJG-GFCCVEGCSA-N 2 1 265.361 -0.109 20 0 CBADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000356873181 248296948 /nfs/dbraw/zinc/29/69/48/248296948.db2.gz GHTXGUMVGPGQHQ-MGPQQGTHSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000356873181 248296952 /nfs/dbraw/zinc/29/69/52/248296952.db2.gz GHTXGUMVGPGQHQ-MGPQQGTHSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000356873181 248296956 /nfs/dbraw/zinc/29/69/56/248296956.db2.gz GHTXGUMVGPGQHQ-MGPQQGTHSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCOCC[NH3+] ZINC000357081667 248319371 /nfs/dbraw/zinc/31/93/71/248319371.db2.gz WGHQKUNLUAREDV-ZJUUUORDSA-N 2 1 252.380 -0.285 20 0 CBADMP C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCOCC[NH3+] ZINC000357081667 248319375 /nfs/dbraw/zinc/31/93/75/248319375.db2.gz WGHQKUNLUAREDV-ZJUUUORDSA-N 2 1 252.380 -0.285 20 0 CBADMP C[C@H]1C[N@@H+](CCOCC[NH3+])C[C@@H]1N1CCOCC1 ZINC000357082085 248319400 /nfs/dbraw/zinc/31/94/00/248319400.db2.gz OOCJJNKGPYKNPE-STQMWFEESA-N 2 1 257.378 -0.386 20 0 CBADMP C[C@H](C(=O)N1CCCC1)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000357076831 248319628 /nfs/dbraw/zinc/31/96/28/248319628.db2.gz PMXVFUYNACZNLH-CQSZACIVSA-N 2 1 298.431 -0.410 20 0 CBADMP C[C@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000357181144 248332734 /nfs/dbraw/zinc/33/27/34/248332734.db2.gz WTMLSHTXOQVDHO-ZJUUUORDSA-N 2 1 256.350 -0.963 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)CC[NH2+]C)CC1 ZINC000357237248 248338396 /nfs/dbraw/zinc/33/83/96/248338396.db2.gz GWYJZDKEFTVZFI-UHFFFAOYSA-N 2 1 256.394 -0.260 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000418525266 295219807 /nfs/dbraw/zinc/21/98/07/295219807.db2.gz OYHNCZKCLFQHHA-SNVBAGLBSA-N 2 1 294.346 -0.274 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000418525266 295219809 /nfs/dbraw/zinc/21/98/09/295219809.db2.gz OYHNCZKCLFQHHA-SNVBAGLBSA-N 2 1 294.346 -0.274 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC1CC[NH2+]CC1 ZINC000346816791 218022158 /nfs/dbraw/zinc/02/21/58/218022158.db2.gz FLVDMCNPMJUZLZ-LLVKDONJSA-N 2 1 269.345 -0.651 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000346816791 218022160 /nfs/dbraw/zinc/02/21/60/218022160.db2.gz FLVDMCNPMJUZLZ-LLVKDONJSA-N 2 1 269.345 -0.651 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000347123416 218129996 /nfs/dbraw/zinc/12/99/96/218129996.db2.gz HSLLAHQVPVCIHA-GFCCVEGCSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[NH+](CCO)CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000347123416 218129997 /nfs/dbraw/zinc/12/99/97/218129997.db2.gz HSLLAHQVPVCIHA-GFCCVEGCSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[NH+](CCO)CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000347123416 218129999 /nfs/dbraw/zinc/12/99/99/218129999.db2.gz HSLLAHQVPVCIHA-GFCCVEGCSA-N 2 1 272.393 -0.306 20 0 CBADMP C[C@H](NC(=O)[C@@H]([NH3+])CC(N)=O)C(C)(C)C[NH+](C)C ZINC000353699441 220264978 /nfs/dbraw/zinc/26/49/78/220264978.db2.gz HEDCYVIZFMZSIL-IUCAKERBSA-N 2 1 258.366 -0.718 20 0 CBADMP CC[N@H+](CCO)CCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000347811677 218366064 /nfs/dbraw/zinc/36/60/64/218366064.db2.gz TZZFYYWGILDNAR-CYBMUJFWSA-N 2 1 286.420 -0.947 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000347811677 218366067 /nfs/dbraw/zinc/36/60/67/218366067.db2.gz TZZFYYWGILDNAR-CYBMUJFWSA-N 2 1 286.420 -0.947 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000347479361 296311691 /nfs/dbraw/zinc/31/16/91/296311691.db2.gz QHVVVIYIAAFINX-SNVBAGLBSA-N 2 1 256.350 -0.948 20 0 CBADMP O=C1CC[NH+](CCCCC[N@H+]2CCNC(=O)CC2)CCN1 ZINC000157873572 296322909 /nfs/dbraw/zinc/32/29/09/296322909.db2.gz SMLUGALINGROMM-UHFFFAOYSA-N 2 1 296.415 -0.200 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000334911923 207280705 /nfs/dbraw/zinc/28/07/05/207280705.db2.gz JWICBQUPZAPFRJ-TXEJJXNPSA-N 2 1 284.429 -0.104 20 0 CBADMP C[C@@H]1C[C@@H]([N@H+](C)CCN2C(=O)CNC2=O)CCN1C ZINC000123784965 207370605 /nfs/dbraw/zinc/37/06/05/207370605.db2.gz AQGPMFFEXXTUIA-MNOVXSKESA-N 2 1 268.361 -0.047 20 0 CBADMP C[C@@H]1C[C@@H]([N@@H+](C)CCN2C(=O)CNC2=O)CCN1C ZINC000123784965 207370613 /nfs/dbraw/zinc/37/06/13/207370613.db2.gz AQGPMFFEXXTUIA-MNOVXSKESA-N 2 1 268.361 -0.047 20 0 CBADMP C[C@H]1C[C@H]([N@H+](C)CCN2C(=O)CNC2=O)CCN1C ZINC000123784741 207371125 /nfs/dbraw/zinc/37/11/25/207371125.db2.gz AQGPMFFEXXTUIA-WDEREUQCSA-N 2 1 268.361 -0.047 20 0 CBADMP C[C@H]1C[C@H]([N@@H+](C)CCN2C(=O)CNC2=O)CCN1C ZINC000123784741 207371132 /nfs/dbraw/zinc/37/11/32/207371132.db2.gz AQGPMFFEXXTUIA-WDEREUQCSA-N 2 1 268.361 -0.047 20 0 CBADMP C[NH2+]CCCC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000178699599 207420553 /nfs/dbraw/zinc/42/05/53/207420553.db2.gz CIBSKCPRZCXRQD-UHFFFAOYSA-N 2 1 270.377 -0.734 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C[C@H]1[NH3+] ZINC000419065554 207639217 /nfs/dbraw/zinc/63/92/17/207639217.db2.gz AIFFCGBMIXSVOV-MWLCHTKSSA-N 2 1 268.361 -0.998 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000159770857 285016242 /nfs/dbraw/zinc/01/62/42/285016242.db2.gz XRCOPTBYZAKXHI-LLVKDONJSA-N 2 1 259.350 -0.859 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000419408819 207685912 /nfs/dbraw/zinc/68/59/12/207685912.db2.gz LZULQFCBEXZVIQ-ONGXEEELSA-N 2 1 298.412 -0.070 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000419328890 207678145 /nfs/dbraw/zinc/67/81/45/207678145.db2.gz FYJIQZSHCQGXRJ-AAEUAGOBSA-N 2 1 296.415 -0.347 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH3+] ZINC000417567430 285025112 /nfs/dbraw/zinc/02/51/12/285025112.db2.gz NNUVYHRGZBXABY-GHMZBOCLSA-N 2 1 258.366 -0.256 20 0 CBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000246184949 285026330 /nfs/dbraw/zinc/02/63/30/285026330.db2.gz NPULZTVKUVVVIF-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000246184949 285026331 /nfs/dbraw/zinc/02/63/31/285026331.db2.gz NPULZTVKUVVVIF-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000246184949 285026333 /nfs/dbraw/zinc/02/63/33/285026333.db2.gz NPULZTVKUVVVIF-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000246184949 285026336 /nfs/dbraw/zinc/02/63/36/285026336.db2.gz NPULZTVKUVVVIF-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](C[NH3+])OC ZINC000262823023 285031749 /nfs/dbraw/zinc/03/17/49/285031749.db2.gz GZZHSGBVDVILDM-RYUDHWBXSA-N 2 1 273.377 -0.423 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000167263830 285032053 /nfs/dbraw/zinc/03/20/53/285032053.db2.gz WTRGCUGZXPEUPC-QWHCGFSZSA-N 2 1 285.388 -0.408 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000246218375 285036614 /nfs/dbraw/zinc/03/66/14/285036614.db2.gz GLBYHYRVGNYARK-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422967721 207867568 /nfs/dbraw/zinc/86/75/68/207867568.db2.gz CHNRPGCRAIEZDS-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000423138828 207875107 /nfs/dbraw/zinc/87/51/07/207875107.db2.gz YGAJSFGYGSOFGS-LBPRGKRZSA-N 2 1 280.372 -0.900 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000426308846 208046596 /nfs/dbraw/zinc/04/65/96/208046596.db2.gz GQZKIAKPSPVWJB-UONOGXRCSA-N 2 1 280.416 -0.025 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426308846 208046603 /nfs/dbraw/zinc/04/66/03/208046603.db2.gz GQZKIAKPSPVWJB-UONOGXRCSA-N 2 1 280.416 -0.025 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000426308846 208046608 /nfs/dbraw/zinc/04/66/08/208046608.db2.gz GQZKIAKPSPVWJB-UONOGXRCSA-N 2 1 280.416 -0.025 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000427270795 208058121 /nfs/dbraw/zinc/05/81/21/208058121.db2.gz XZCJLJPGXDTFKU-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428195323 208082359 /nfs/dbraw/zinc/08/23/59/208082359.db2.gz NSXVKMXRGBABJU-BETUJISGSA-N 2 1 296.415 -0.251 20 0 CBADMP O=C([C@H]1COCC[NH2+]1)N1CCC([NH2+]CC2CC2)CC1 ZINC000429563098 208125091 /nfs/dbraw/zinc/12/50/91/208125091.db2.gz BFBXCSOHMMCOLM-CYBMUJFWSA-N 2 1 267.373 -0.035 20 0 CBADMP CN1CCN(C(=O)CC[N@@H+](C)CC(=O)NC2CC2)CC1 ZINC000429670117 208127119 /nfs/dbraw/zinc/12/71/19/208127119.db2.gz IXQUDVNPZVECSG-UHFFFAOYSA-N 2 1 282.388 -0.639 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(O)CC2)CC1 ZINC000429674285 208128401 /nfs/dbraw/zinc/12/84/01/208128401.db2.gz KERYIJUNTFDUHM-UHFFFAOYSA-N 2 1 255.362 -0.393 20 0 CBADMP CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000429455497 208121242 /nfs/dbraw/zinc/12/12/42/208121242.db2.gz RFEPYPISJJNXHX-NEPJUHHUSA-N 2 1 292.449 -0.251 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000430556684 208164374 /nfs/dbraw/zinc/16/43/74/208164374.db2.gz ZFOUIZVXBQZJDM-LBPRGKRZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000430556684 208164378 /nfs/dbraw/zinc/16/43/78/208164378.db2.gz ZFOUIZVXBQZJDM-LBPRGKRZSA-N 2 1 298.431 -0.018 20 0 CBADMP CNS(=O)(=O)CCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430578790 208165395 /nfs/dbraw/zinc/16/53/95/208165395.db2.gz FRAWANDEJZZHIR-SNVBAGLBSA-N 2 1 251.396 -0.111 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430576398 208166098 /nfs/dbraw/zinc/16/60/98/208166098.db2.gz XFEPQDSMZJFYHY-GHMZBOCLSA-N 2 1 263.407 -0.015 20 0 CBADMP O=C(COC1C[NH2+]C1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000430673483 208170816 /nfs/dbraw/zinc/17/08/16/208170816.db2.gz CYAFUPLPVQTLTK-NWDGAFQWSA-N 2 1 253.346 -0.282 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000430695275 208171323 /nfs/dbraw/zinc/17/13/23/208171323.db2.gz MPAKNIYRVWKMMR-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000430683924 208173401 /nfs/dbraw/zinc/17/34/01/208173401.db2.gz LLOKIKYFBNBXCM-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000430711721 208176189 /nfs/dbraw/zinc/17/61/89/208176189.db2.gz GCDSCGUREZAPRX-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP COCC[NH2+]CC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000431012769 285076283 /nfs/dbraw/zinc/07/62/83/285076283.db2.gz CQEXYKWMHGCDEW-ZDUSSCGKSA-N 2 1 286.420 -0.778 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000430765562 208178017 /nfs/dbraw/zinc/17/80/17/208178017.db2.gz SCLAMVMVDIFMJW-AWEZNQCLSA-N 2 1 282.388 -0.734 20 0 CBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)COC2C[NH2+]C2)C[C@@H](C)O1 ZINC000430748540 208178083 /nfs/dbraw/zinc/17/80/83/208178083.db2.gz QHNJTTYUUGZKAD-VXGBXAGGSA-N 2 1 299.415 -0.021 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C2(OC)CC[NH2+]CC2)C1 ZINC000430730668 208178585 /nfs/dbraw/zinc/17/85/85/208178585.db2.gz JQUHWWKCSVFCDE-GFCCVEGCSA-N 2 1 285.388 -0.408 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1([NH3+])CCCC1 ZINC000430891631 208186331 /nfs/dbraw/zinc/18/63/31/208186331.db2.gz VWUDXTZWXKZJBX-LLVKDONJSA-N 2 1 282.388 -0.286 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000430891496 208186820 /nfs/dbraw/zinc/18/68/20/208186820.db2.gz UPARWONAGMOSPT-NWDGAFQWSA-N 2 1 282.388 -0.416 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000430892064 208187622 /nfs/dbraw/zinc/18/76/22/208187622.db2.gz ZSWYHRZRMGJPMD-TUAOUCFPSA-N 2 1 282.388 -0.430 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000430920823 208189632 /nfs/dbraw/zinc/18/96/32/208189632.db2.gz QGWFEUAXUHVMNZ-RYUDHWBXSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430947345 208194233 /nfs/dbraw/zinc/19/42/33/208194233.db2.gz DIIIEGUSLQOWDY-IJLUTSLNSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430947345 208194237 /nfs/dbraw/zinc/19/42/37/208194237.db2.gz DIIIEGUSLQOWDY-IJLUTSLNSA-N 2 1 255.362 -0.049 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000431007975 208198807 /nfs/dbraw/zinc/19/88/07/208198807.db2.gz WZKOTVQKYJKXDZ-QWHCGFSZSA-N 2 1 270.421 -0.031 20 0 CBADMP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000431021163 208200477 /nfs/dbraw/zinc/20/04/77/208200477.db2.gz HOQMOXUYKUKJIY-OLZOCXBDSA-N 2 1 284.404 -0.883 20 0 CBADMP C[N@@H+](CCNC(=O)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000431045556 208202136 /nfs/dbraw/zinc/20/21/36/208202136.db2.gz QEHXPAIUSGHZNL-LBPRGKRZSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433375254 208243878 /nfs/dbraw/zinc/24/38/78/208243878.db2.gz HCZPYJGXSJVWDX-NEPJUHHUSA-N 2 1 292.387 -0.116 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000434876557 208271301 /nfs/dbraw/zinc/27/13/01/208271301.db2.gz YSHDDNPTTGHEMC-RYUDHWBXSA-N 2 1 287.429 -0.082 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000434876548 208273029 /nfs/dbraw/zinc/27/30/29/208273029.db2.gz YSHDDNPTTGHEMC-NEPJUHHUSA-N 2 1 287.429 -0.082 20 0 CBADMP C[C@H]([NH3+])CCC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000434678686 208264892 /nfs/dbraw/zinc/26/48/92/208264892.db2.gz JNLIWCWHTDYBGQ-RYUDHWBXSA-N 2 1 256.394 -0.134 20 0 CBADMP C[NH2+]CCC[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000435881810 208284759 /nfs/dbraw/zinc/28/47/59/208284759.db2.gz WDFQKLQXVFZANV-LLVKDONJSA-N 2 1 263.407 -0.143 20 0 CBADMP C[NH2+]CCC[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000435881810 208284764 /nfs/dbraw/zinc/28/47/64/208284764.db2.gz WDFQKLQXVFZANV-LLVKDONJSA-N 2 1 263.407 -0.143 20 0 CBADMP CCCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436046834 208288739 /nfs/dbraw/zinc/28/87/39/208288739.db2.gz CKLVPDSSFNWSHV-LBPRGKRZSA-N 2 1 284.404 -0.168 20 0 CBADMP CCCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436046834 208288741 /nfs/dbraw/zinc/28/87/41/208288741.db2.gz CKLVPDSSFNWSHV-LBPRGKRZSA-N 2 1 284.404 -0.168 20 0 CBADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)C(=O)N(C)C ZINC000443055338 208378736 /nfs/dbraw/zinc/37/87/36/208378736.db2.gz BGLBQFYRKWNVQD-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419985127 285232820 /nfs/dbraw/zinc/23/28/20/285232820.db2.gz WLGMHARYVVYOAJ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420011283 285256167 /nfs/dbraw/zinc/25/61/67/285256167.db2.gz YQJTXITZNLIWDO-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC000655159632 413030550 /nfs/dbraw/zinc/03/05/50/413030550.db2.gz JTRBMXIRMNTOQJ-OLZOCXBDSA-N 2 1 296.415 -0.093 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000377962186 285362014 /nfs/dbraw/zinc/36/20/14/285362014.db2.gz STHAXUNHRUPPHF-ZDUSSCGKSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000377962186 285362015 /nfs/dbraw/zinc/36/20/15/285362015.db2.gz STHAXUNHRUPPHF-ZDUSSCGKSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC000365931551 285362029 /nfs/dbraw/zinc/36/20/29/285362029.db2.gz YJMCIGNXOLCJAG-XQQFMLRXSA-N 2 1 267.373 -0.273 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC000365931551 285362031 /nfs/dbraw/zinc/36/20/31/285362031.db2.gz YJMCIGNXOLCJAG-XQQFMLRXSA-N 2 1 267.373 -0.273 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC000365931551 285362032 /nfs/dbraw/zinc/36/20/32/285362032.db2.gz YJMCIGNXOLCJAG-XQQFMLRXSA-N 2 1 267.373 -0.273 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C1 ZINC000365931551 285362033 /nfs/dbraw/zinc/36/20/33/285362033.db2.gz YJMCIGNXOLCJAG-XQQFMLRXSA-N 2 1 267.373 -0.273 20 0 CBADMP COC[C@H]([NH3+])C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000262303573 285383265 /nfs/dbraw/zinc/38/32/65/285383265.db2.gz OCZKAERKAXXJBP-KGLIPLIRSA-N 2 1 298.431 -0.411 20 0 CBADMP COC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000367534798 285384675 /nfs/dbraw/zinc/38/46/75/285384675.db2.gz YLQAJTDSGRLJJG-ZDEQEGDKSA-N 2 1 267.373 -0.097 20 0 CBADMP COC(=O)CN1CCC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000344623786 533502343 /nfs/dbraw/zinc/50/23/43/533502343.db2.gz VXGDDKMOOKFEHC-AWEZNQCLSA-N 2 1 285.388 -0.720 20 0 CBADMP COC(=O)CN1CCC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000344623786 533502348 /nfs/dbraw/zinc/50/23/48/533502348.db2.gz VXGDDKMOOKFEHC-AWEZNQCLSA-N 2 1 285.388 -0.720 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424142907 288956551 /nfs/dbraw/zinc/95/65/51/288956551.db2.gz IXIOZKUCOJSVRO-MNOVXSKESA-N 2 1 268.361 -0.998 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575124107 335069559 /nfs/dbraw/zinc/06/95/59/335069559.db2.gz OJGUWJTXPGMNHZ-MNOVXSKESA-N 2 1 268.361 -0.107 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NCCNc1cccc(C)[nH+]1 ZINC000353458513 285593022 /nfs/dbraw/zinc/59/30/22/285593022.db2.gz JVUWJDUOKZJJHD-JTQLQIEISA-N 2 1 252.318 -0.108 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370415 289392869 /nfs/dbraw/zinc/39/28/69/289392869.db2.gz RHZAOOBIHCVSNX-DGCLKSJQSA-N 2 1 268.405 -0.040 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370415 289392872 /nfs/dbraw/zinc/39/28/72/289392872.db2.gz RHZAOOBIHCVSNX-DGCLKSJQSA-N 2 1 268.405 -0.040 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417748079 292337310 /nfs/dbraw/zinc/33/73/10/292337310.db2.gz HYRDJDZISGQFFW-GFCCVEGCSA-N 2 1 272.393 -0.009 20 0 CBADMP COCCC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000344452362 292349911 /nfs/dbraw/zinc/34/99/11/292349911.db2.gz XDUWIEPQZPLOOQ-TZMCWYRMSA-N 2 1 299.415 -0.020 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000262436291 287007179 /nfs/dbraw/zinc/00/71/79/287007179.db2.gz TWAJRNNHJUJPNT-LLVKDONJSA-N 2 1 270.377 -0.558 20 0 CBADMP C[C@@H](O)C[N@H+](C)CC1(C[NH+](C)C[C@H](C)O)COC1 ZINC000361515236 287082371 /nfs/dbraw/zinc/08/23/71/287082371.db2.gz VAFYIBMLXWRLPJ-TXEJJXNPSA-N 2 1 260.378 -0.372 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CC1(C[NH+](C)C[C@H](C)O)COC1 ZINC000361515236 287082373 /nfs/dbraw/zinc/08/23/73/287082373.db2.gz VAFYIBMLXWRLPJ-TXEJJXNPSA-N 2 1 260.378 -0.372 20 0 CBADMP C[C@@H](O)C[NH+](C)CC1(C[N@H+](C)C[C@H](C)O)COC1 ZINC000361515236 287082375 /nfs/dbraw/zinc/08/23/75/287082375.db2.gz VAFYIBMLXWRLPJ-TXEJJXNPSA-N 2 1 260.378 -0.372 20 0 CBADMP C[C@@H](O)C[NH+](C)CC1(C[N@@H+](C)C[C@H](C)O)COC1 ZINC000361515236 287082377 /nfs/dbraw/zinc/08/23/77/287082377.db2.gz VAFYIBMLXWRLPJ-TXEJJXNPSA-N 2 1 260.378 -0.372 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H](C[NH3+])OC)CC[N@@H+]1CCOC ZINC000353425364 287150512 /nfs/dbraw/zinc/15/05/12/287150512.db2.gz HILFNBOSESDWAL-VXGBXAGGSA-N 2 1 273.377 -0.471 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H](C[NH3+])OC)CC[N@H+]1CCOC ZINC000353425364 287150513 /nfs/dbraw/zinc/15/05/13/287150513.db2.gz HILFNBOSESDWAL-VXGBXAGGSA-N 2 1 273.377 -0.471 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H](C[NH3+])OC)CC[N@H+]1C[C@H](C)O ZINC000353434688 287150798 /nfs/dbraw/zinc/15/07/98/287150798.db2.gz VQCPHLIZEHEHNH-QJPTWQEYSA-N 2 1 273.377 -0.736 20 0 CBADMP C[NH2+][C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(C)c1 ZINC000285698462 196370381 /nfs/dbraw/zinc/37/03/81/196370381.db2.gz BRJBYLPJRNRKRV-OLZOCXBDSA-N 2 1 277.372 -0.013 20 0 CBADMP C[NH2+][C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1cnn(C)c1 ZINC000285698462 196370383 /nfs/dbraw/zinc/37/03/83/196370383.db2.gz BRJBYLPJRNRKRV-OLZOCXBDSA-N 2 1 277.372 -0.013 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000419412065 287348870 /nfs/dbraw/zinc/34/88/70/287348870.db2.gz QLCZTSSZKDZJTP-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000354694009 227074366 /nfs/dbraw/zinc/07/43/66/227074366.db2.gz PSTGQGIQYXMZBW-YPMHNXCESA-N 2 1 294.399 -0.402 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000331370144 228095935 /nfs/dbraw/zinc/09/59/35/228095935.db2.gz CXYDVNBEOXTAGB-DMDPSCGWSA-N 2 1 294.399 -0.465 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000081367047 544428383 /nfs/dbraw/zinc/42/83/83/544428383.db2.gz ZWGLKPSKXRDRNP-OLZOCXBDSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000081367047 544428387 /nfs/dbraw/zinc/42/83/87/544428387.db2.gz ZWGLKPSKXRDRNP-OLZOCXBDSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000081367047 544428391 /nfs/dbraw/zinc/42/83/91/544428391.db2.gz ZWGLKPSKXRDRNP-OLZOCXBDSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000081367047 544428397 /nfs/dbraw/zinc/42/83/97/544428397.db2.gz ZWGLKPSKXRDRNP-OLZOCXBDSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000089700153 544436307 /nfs/dbraw/zinc/43/63/07/544436307.db2.gz PNSDGUZEJJMFPD-VIFPVBQESA-N 2 1 252.322 -0.939 20 0 CBADMP [NH3+]CCn1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)nn1 ZINC000089699040 544436371 /nfs/dbraw/zinc/43/63/71/544436371.db2.gz OIOZEFHXTYXEEA-CMPLNLGQSA-N 2 1 278.360 -0.407 20 0 CBADMP [NH3+]CCOCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000093231316 544442142 /nfs/dbraw/zinc/44/21/42/544442142.db2.gz MAQURRUEFZIKEL-GFCCVEGCSA-N 2 1 271.361 -0.715 20 0 CBADMP CC1(OCC(=O)NCCC[NH+]2CCOCC2)C[NH2+]C1 ZINC000098061526 544447122 /nfs/dbraw/zinc/44/71/22/544447122.db2.gz KIPJDQQCWZLKDB-UHFFFAOYSA-N 2 1 271.361 -0.797 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)COC2(C)C[NH2+]C2)C1 ZINC000098061727 544447130 /nfs/dbraw/zinc/44/71/30/544447130.db2.gz UQMBKRMGEKSLDD-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP C[NH+]1CCC([NH2+]CC(C)(C)NS(C)(=O)=O)CC1 ZINC000109041863 544448390 /nfs/dbraw/zinc/44/83/90/544448390.db2.gz DLHYLBHCEALSBH-UHFFFAOYSA-N 2 1 263.407 -0.002 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000226868559 544493453 /nfs/dbraw/zinc/49/34/53/544493453.db2.gz WTKZZIXMQNCYNR-WHOHXGKFSA-N 2 1 255.362 -0.038 20 0 CBADMP CC(C)NC(=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000228361356 544497019 /nfs/dbraw/zinc/49/70/19/544497019.db2.gz IZGDUIIDWTVREI-LBPRGKRZSA-N 2 1 257.378 -0.053 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[NH+]2CCSCC2)C1 ZINC000228508933 544498837 /nfs/dbraw/zinc/49/88/37/544498837.db2.gz BIDDMDFYMQPDHO-WDEREUQCSA-N 2 1 273.402 -0.472 20 0 CBADMP [NH3+]CCn1cc(C(=O)NCC[NH+]2CCSCC2)nn1 ZINC000230936999 544502311 /nfs/dbraw/zinc/50/23/11/544502311.db2.gz NPWDIEBWONQLHR-UHFFFAOYSA-N 2 1 284.389 -0.985 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000250519019 544513268 /nfs/dbraw/zinc/51/32/68/544513268.db2.gz RZOOXJAWUVGCSX-VXGBXAGGSA-N 2 1 255.362 -0.179 20 0 CBADMP CC(=O)N[C@@H]1CCN(C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000310909185 544529324 /nfs/dbraw/zinc/52/93/24/544529324.db2.gz QLMUWIFSBLZGBP-CHWSQXEVSA-N 2 1 257.378 -0.102 20 0 CBADMP O=C(CN1CC[NH2+]CC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000037631644 419409857 /nfs/dbraw/zinc/40/98/57/419409857.db2.gz QDGCCLRCNYENGY-OLZOCXBDSA-N 2 1 266.389 -0.365 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](CO)C2CCC2)CC1 ZINC000661156617 419476299 /nfs/dbraw/zinc/47/62/99/419476299.db2.gz YAGMITZBVBPTNE-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107370399 419483415 /nfs/dbraw/zinc/48/34/15/419483415.db2.gz XHEPWOJSWKLJRB-QWHCGFSZSA-N 2 1 268.405 -0.038 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000040633819 419420675 /nfs/dbraw/zinc/42/06/75/419420675.db2.gz NFZRQLVUQJYUTN-WCFLWFBJSA-N 2 1 267.373 -0.036 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCCC1 ZINC000043499858 419427987 /nfs/dbraw/zinc/42/79/87/419427987.db2.gz NZWQTLKRSTYZST-UHFFFAOYSA-N 2 1 254.378 -0.554 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCCC1 ZINC000043499858 419427994 /nfs/dbraw/zinc/42/79/94/419427994.db2.gz NZWQTLKRSTYZST-UHFFFAOYSA-N 2 1 254.378 -0.554 20 0 CBADMP CNC(=O)[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000043499899 419431302 /nfs/dbraw/zinc/43/13/02/419431302.db2.gz ZNRQARDTSQTYPE-GFCCVEGCSA-N 2 1 254.378 -0.508 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043799428 419431972 /nfs/dbraw/zinc/43/19/72/419431972.db2.gz XKUGLBNIZIRQMP-GFCCVEGCSA-N 2 1 271.361 -0.845 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCO)C[C@H]1C ZINC000660761450 419435046 /nfs/dbraw/zinc/43/50/46/419435046.db2.gz YVFVMAFWXJMDIM-ZIAGYGMSSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@H+](CCO)C[C@H]1C ZINC000660761450 419435051 /nfs/dbraw/zinc/43/50/51/419435051.db2.gz YVFVMAFWXJMDIM-ZIAGYGMSSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@@H+](CCO)C[C@H]1C ZINC000660761450 419435060 /nfs/dbraw/zinc/43/50/60/419435060.db2.gz YVFVMAFWXJMDIM-ZIAGYGMSSA-N 2 1 273.421 -0.314 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)N1CCCC1 ZINC000053298781 419457428 /nfs/dbraw/zinc/45/74/28/419457428.db2.gz NKLXLWICNLHQEZ-UHFFFAOYSA-N 2 1 282.388 -0.638 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000070088566 419466064 /nfs/dbraw/zinc/46/60/64/419466064.db2.gz RYMJIRXSDDWGNK-LLVKDONJSA-N 2 1 256.394 -0.134 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)CCC[NH3+])CC1 ZINC000082257104 419466486 /nfs/dbraw/zinc/46/64/86/419466486.db2.gz LGLKAZXZZWWYAX-UHFFFAOYSA-N 2 1 256.394 -0.131 20 0 CBADMP CC[C@H](C)NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150651 419467497 /nfs/dbraw/zinc/46/74/97/419467497.db2.gz VJLCACXFAWBKTA-LBPRGKRZSA-N 2 1 256.394 -0.262 20 0 CBADMP CC[C@H](C)NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150651 419467505 /nfs/dbraw/zinc/46/75/05/419467505.db2.gz VJLCACXFAWBKTA-LBPRGKRZSA-N 2 1 256.394 -0.262 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000082258032 419471382 /nfs/dbraw/zinc/47/13/82/419471382.db2.gz AMDVHNPYMNYZCY-ZDUSSCGKSA-N 2 1 268.405 -0.118 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC1CC[NH+](C)CC1 ZINC000187079407 419520371 /nfs/dbraw/zinc/52/03/71/419520371.db2.gz DPVSXRHFFAIPDO-UHFFFAOYSA-N 2 1 272.393 -0.306 20 0 CBADMP O=C1NC[C@H]2C[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CCN12 ZINC000662259315 419568080 /nfs/dbraw/zinc/56/80/80/419568080.db2.gz UXHRVKJIHMDQJU-WDEREUQCSA-N 2 1 266.345 -0.783 20 0 CBADMP O=C1NC[C@H]2C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CCN12 ZINC000662259315 419568086 /nfs/dbraw/zinc/56/80/86/419568086.db2.gz UXHRVKJIHMDQJU-WDEREUQCSA-N 2 1 266.345 -0.783 20 0 CBADMP C[NH2+]CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000193129874 419542719 /nfs/dbraw/zinc/54/27/19/419542719.db2.gz KWWKVKVCWBKDLW-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CN(CCC[NH3+])Cc1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000641068219 419547986 /nfs/dbraw/zinc/54/79/86/419547986.db2.gz KNFCNQLICUXTSS-UHFFFAOYSA-N 2 1 275.360 0.084 20 0 CBADMP C[C@@H](C(=O)N(C)C)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662157885 419550942 /nfs/dbraw/zinc/55/09/42/419550942.db2.gz SQRCIQQJWYPWQB-WCQYABFASA-N 2 1 269.389 -0.006 20 0 CBADMP CCN1CC[C@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662244513 419556572 /nfs/dbraw/zinc/55/65/72/419556572.db2.gz RAFGYSHIIASIGT-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+](CCO[C@@H]1CC1(F)F)CC(=O)N1CC[NH2+]CC1 ZINC000662237383 419556963 /nfs/dbraw/zinc/55/69/63/419556963.db2.gz JTCBGEWFXQZXGS-SNVBAGLBSA-N 2 1 277.315 -0.226 20 0 CBADMP C[N@@H+](CCO[C@@H]1CC1(F)F)CC(=O)N1CC[NH2+]CC1 ZINC000662237383 419556968 /nfs/dbraw/zinc/55/69/68/419556968.db2.gz JTCBGEWFXQZXGS-SNVBAGLBSA-N 2 1 277.315 -0.226 20 0 CBADMP O=C([C@@H]1CCC[N@@H+](C[C@H]2CNCCO2)C1)N1CC[NH2+]CC1 ZINC000662243513 419557806 /nfs/dbraw/zinc/55/78/06/419557806.db2.gz MKUZDCKRDNITRL-ZIAGYGMSSA-N 2 1 296.415 -0.881 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242024 419558587 /nfs/dbraw/zinc/55/85/87/419558587.db2.gz AQRATRKZHQWSBT-OLZOCXBDSA-N 3 1 296.415 -0.706 20 0 CBADMP COC[C@H](C[N@H+](C)CC(=O)N1CC[NH2+]CC1)OC ZINC000662236193 419559320 /nfs/dbraw/zinc/55/93/20/419559320.db2.gz DZYIABFTTJCNQG-NSHDSACASA-N 2 1 259.350 -0.989 20 0 CBADMP COC[C@H](C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)OC ZINC000662236193 419559327 /nfs/dbraw/zinc/55/93/27/419559327.db2.gz DZYIABFTTJCNQG-NSHDSACASA-N 2 1 259.350 -0.989 20 0 CBADMP CCN1CC[C@@H]([N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662244517 419559852 /nfs/dbraw/zinc/55/98/52/419559852.db2.gz RAFGYSHIIASIGT-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP COCC[N@@H+](CC(=O)N(C)C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251595 419561072 /nfs/dbraw/zinc/56/10/72/419561072.db2.gz GCBDPEMLVAYMFO-GFCCVEGCSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@H+](CC(=O)N(C)C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251595 419561078 /nfs/dbraw/zinc/56/10/78/419561078.db2.gz GCBDPEMLVAYMFO-GFCCVEGCSA-N 2 1 285.388 -0.456 20 0 CBADMP [NH3+]CCCOC1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662247676 419561150 /nfs/dbraw/zinc/56/11/50/419561150.db2.gz JAMURTLVLKQPIB-ZDUSSCGKSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@H](CNC(=O)COC1(C)C[NH2+]C1)[N@@H+](C)C1CC1 ZINC000219044080 419565056 /nfs/dbraw/zinc/56/50/56/419565056.db2.gz FUZNFTVXTGQYNJ-SNVBAGLBSA-N 2 1 255.362 -0.036 20 0 CBADMP Cn1nc2c(cc1=O)C[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662257849 419566685 /nfs/dbraw/zinc/56/66/85/419566685.db2.gz SCVNGQVUXIQTFQ-GFCCVEGCSA-N 2 1 290.367 -0.341 20 0 CBADMP CCN1CC[C@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662275338 419567052 /nfs/dbraw/zinc/56/70/52/419567052.db2.gz AOGYQYRCXIRQMH-STQMWFEESA-N 2 1 266.389 -0.413 20 0 CBADMP NC(=O)c1c[nH+]ccc1N1CCC[N@H+](CCO)CC1 ZINC000184109662 419516261 /nfs/dbraw/zinc/51/62/61/419516261.db2.gz RIXBKIAOQKCYIT-UHFFFAOYSA-N 2 1 264.329 -0.315 20 0 CBADMP NC(=O)c1c[nH+]ccc1N1CCC[N@@H+](CCO)CC1 ZINC000184109662 419516267 /nfs/dbraw/zinc/51/62/67/419516267.db2.gz RIXBKIAOQKCYIT-UHFFFAOYSA-N 2 1 264.329 -0.315 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccn([C@@H]3CC[NH2+]C3)n2)C1 ZINC000328633607 419632367 /nfs/dbraw/zinc/63/23/67/419632367.db2.gz SQCNPLRUXAVNLD-VXGBXAGGSA-N 2 1 293.371 0.077 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccn([C@@H]3CC[NH2+]C3)n2)C1 ZINC000328633607 419632372 /nfs/dbraw/zinc/63/23/72/419632372.db2.gz SQCNPLRUXAVNLD-VXGBXAGGSA-N 2 1 293.371 0.077 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C[N@H+]1C1CC1 ZINC000662539651 419633546 /nfs/dbraw/zinc/63/35/46/419633546.db2.gz GWAOCUOFAWPTBB-NXEZZACHSA-N 2 1 278.360 -0.408 20 0 CBADMP CC(C)(C)n1nnc(CC[NH2+]C2(CO)CC[NH2+]CC2)n1 ZINC000662284096 419574886 /nfs/dbraw/zinc/57/48/86/419574886.db2.gz LKFZQYMOTZESRI-UHFFFAOYSA-N 2 1 282.392 -0.325 20 0 CBADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000662285282 419575041 /nfs/dbraw/zinc/57/50/41/419575041.db2.gz ITBJDNQMNWFFPH-GXSJLCMTSA-N 2 1 295.305 -0.025 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCC[NH3+] ZINC000237027616 419575342 /nfs/dbraw/zinc/57/53/42/419575342.db2.gz WNWKUBHIFFMRDL-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237553512 419580317 /nfs/dbraw/zinc/58/03/17/419580317.db2.gz HGVWJWLSBXYKIA-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H](Cn2ccnn2)C1)N1CC[NH2+]CC1 ZINC000662295460 419581183 /nfs/dbraw/zinc/58/11/83/419581183.db2.gz KFUUUSHMFQKEKO-CYBMUJFWSA-N 2 1 292.387 -0.578 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662303788 419581346 /nfs/dbraw/zinc/58/13/46/419581346.db2.gz GGIIBGIXAWOZSC-DNOWBOINSA-N 2 1 280.416 -0.038 20 0 CBADMP C[C@@H]([NH3+])CCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394382976 544581680 /nfs/dbraw/zinc/58/16/80/544581680.db2.gz UZRFZAGICKLTSV-NEPJUHHUSA-N 2 1 254.378 -0.380 20 0 CBADMP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000394382406 544581783 /nfs/dbraw/zinc/58/17/83/544581783.db2.gz VZLAVGKDXDJTEN-RDBSUJKOSA-N 2 1 280.416 -0.119 20 0 CBADMP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000394382404 544581901 /nfs/dbraw/zinc/58/19/01/544581901.db2.gz VZLAVGKDXDJTEN-MCIONIFRSA-N 2 1 280.416 -0.119 20 0 CBADMP C[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)C[NH+]1CCOCC1 ZINC000237547176 419584791 /nfs/dbraw/zinc/58/47/91/419584791.db2.gz ANGNBIYVXSRLPO-UONOGXRCSA-N 2 1 299.415 -0.161 20 0 CBADMP C[C@H]([NH3+])CCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394382979 544581960 /nfs/dbraw/zinc/58/19/60/544581960.db2.gz UZRFZAGICKLTSV-RYUDHWBXSA-N 2 1 254.378 -0.380 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1CCCC[NH2+]1 ZINC000394383770 544581977 /nfs/dbraw/zinc/58/19/77/544581977.db2.gz FURZUBSGPUZNSJ-CHWSQXEVSA-N 2 1 266.389 -0.365 20 0 CBADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662314321 419585182 /nfs/dbraw/zinc/58/51/82/419585182.db2.gz DVPHOPQOMHBKAK-JQWIXIFHSA-N 2 1 253.346 -0.295 20 0 CBADMP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000662317207 419587388 /nfs/dbraw/zinc/58/73/88/419587388.db2.gz NREBDFOLEQQEPY-LLVKDONJSA-N 2 1 258.366 -0.351 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000249474491 419594252 /nfs/dbraw/zinc/59/42/52/419594252.db2.gz JFZPXNLMBKWTID-RFQIPJPRSA-N 2 1 299.415 -0.333 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000249474491 419594259 /nfs/dbraw/zinc/59/42/59/419594259.db2.gz JFZPXNLMBKWTID-RFQIPJPRSA-N 2 1 299.415 -0.333 20 0 CBADMP C[N@@H+](C[C@@H](O)CNC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000647517310 419595594 /nfs/dbraw/zinc/59/55/94/419595594.db2.gz DHVOFBCQXBHMBW-UONOGXRCSA-N 2 1 271.405 -0.512 20 0 CBADMP C[C@@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)C1C[NH2+]C1 ZINC000262446190 419598321 /nfs/dbraw/zinc/59/83/21/419598321.db2.gz VLBWPTBBURUMRS-GRYCIOLGSA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)C1C[NH2+]C1 ZINC000262446190 419598328 /nfs/dbraw/zinc/59/83/28/419598328.db2.gz VLBWPTBBURUMRS-GRYCIOLGSA-N 2 1 269.389 -0.245 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000262418905 419599019 /nfs/dbraw/zinc/59/90/19/419599019.db2.gz QFTFEDSODFZKAO-RNJOBUHISA-N 2 1 285.388 -0.987 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000262418905 419599031 /nfs/dbraw/zinc/59/90/31/419599031.db2.gz QFTFEDSODFZKAO-RNJOBUHISA-N 2 1 285.388 -0.987 20 0 CBADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)COCC1CC1 ZINC000647517369 419599418 /nfs/dbraw/zinc/59/94/18/419599418.db2.gz HOFDEBAVYPERHU-UONOGXRCSA-N 2 1 272.389 -0.180 20 0 CBADMP [NH3+]C1(CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000398073110 544583711 /nfs/dbraw/zinc/58/37/11/544583711.db2.gz JUQNSVLIFQVDKX-NSHDSACASA-N 2 1 252.362 -0.626 20 0 CBADMP C[NH2+]C[C@H](O)CNC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647526525 419601703 /nfs/dbraw/zinc/60/17/03/419601703.db2.gz APXABEDMIXEIAE-GJZGRUSLSA-N 2 1 281.400 -0.351 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000647542308 419606289 /nfs/dbraw/zinc/60/62/89/419606289.db2.gz OGUBTHNPDAYHLJ-MGPQQGTHSA-N 3 1 280.416 -0.133 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662441604 419606974 /nfs/dbraw/zinc/60/69/74/419606974.db2.gz KSOCAJDYIHYYPF-LLVKDONJSA-N 2 1 296.375 -0.923 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662441372 419607209 /nfs/dbraw/zinc/60/72/09/419607209.db2.gz FVLCYDVKZMIOHV-OLZOCXBDSA-N 2 1 287.404 -0.034 20 0 CBADMP Nc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cn1 ZINC000647541133 419607275 /nfs/dbraw/zinc/60/72/75/419607275.db2.gz AHZIMJVOFZZDIK-ZDUSSCGKSA-N 2 1 261.373 0.143 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662453646 419609721 /nfs/dbraw/zinc/60/97/21/419609721.db2.gz DAHQVAPMMDYEQV-NSHDSACASA-N 2 1 280.376 -0.159 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662457233 419611859 /nfs/dbraw/zinc/61/18/59/419611859.db2.gz JTURCHPCKGYKJA-UHFFFAOYSA-N 2 1 268.365 -0.302 20 0 CBADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443109 419612907 /nfs/dbraw/zinc/61/29/07/419612907.db2.gz LWPUVFXJPYMWRB-DGCLKSJQSA-N 2 1 294.399 -0.144 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443109 419612916 /nfs/dbraw/zinc/61/29/16/419612916.db2.gz LWPUVFXJPYMWRB-DGCLKSJQSA-N 2 1 294.399 -0.144 20 0 CBADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443109 419612922 /nfs/dbraw/zinc/61/29/22/419612922.db2.gz LWPUVFXJPYMWRB-DGCLKSJQSA-N 2 1 294.399 -0.144 20 0 CBADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443109 419612929 /nfs/dbraw/zinc/61/29/29/419612929.db2.gz LWPUVFXJPYMWRB-DGCLKSJQSA-N 2 1 294.399 -0.144 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000401791260 544585344 /nfs/dbraw/zinc/58/53/44/544585344.db2.gz HDLFYFMHVKCOCM-ZIAGYGMSSA-N 2 1 290.404 -0.601 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@](CO)(OC)C1 ZINC000401791260 544585348 /nfs/dbraw/zinc/58/53/48/544585348.db2.gz HDLFYFMHVKCOCM-ZIAGYGMSSA-N 2 1 290.404 -0.601 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@](CO)(OC)C1 ZINC000401791260 544585351 /nfs/dbraw/zinc/58/53/51/544585351.db2.gz HDLFYFMHVKCOCM-ZIAGYGMSSA-N 2 1 290.404 -0.601 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(N)=O)CC1 ZINC000311171791 419617474 /nfs/dbraw/zinc/61/74/74/419617474.db2.gz TYKQHFRCVOPCAS-GFCCVEGCSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(N)=O)CC1 ZINC000311171791 419617483 /nfs/dbraw/zinc/61/74/83/419617483.db2.gz TYKQHFRCVOPCAS-GFCCVEGCSA-N 2 1 257.378 -0.115 20 0 CBADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000647597700 419618468 /nfs/dbraw/zinc/61/84/68/419618468.db2.gz JBWYTTBLLYVCQW-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000647595163 419619282 /nfs/dbraw/zinc/61/92/82/419619282.db2.gz QXFWTSHKBWNOKP-LOWVWBTDSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC1(O)CCOCC1 ZINC000311108149 419619406 /nfs/dbraw/zinc/61/94/06/419619406.db2.gz DPSIXZIKMZRIEN-GFCCVEGCSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1(O)CCOCC1 ZINC000311108149 419619417 /nfs/dbraw/zinc/61/94/17/419619417.db2.gz DPSIXZIKMZRIEN-GFCCVEGCSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC1(O)CCOCC1 ZINC000311108149 419619421 /nfs/dbraw/zinc/61/94/21/419619421.db2.gz DPSIXZIKMZRIEN-GFCCVEGCSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1(O)CCOCC1 ZINC000311108149 419619426 /nfs/dbraw/zinc/61/94/26/419619426.db2.gz DPSIXZIKMZRIEN-GFCCVEGCSA-N 2 1 260.378 -0.228 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000647594965 419620670 /nfs/dbraw/zinc/62/06/70/419620670.db2.gz BFNXUASTMRCRFD-HBNTYKKESA-N 2 1 284.404 -0.173 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000311854134 419625959 /nfs/dbraw/zinc/62/59/59/419625959.db2.gz JBCIFLGMQARQBG-ZDUSSCGKSA-N 2 1 273.377 -0.693 20 0 CBADMP Cn1c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(=O)n(C)c1=O ZINC000313818755 419626063 /nfs/dbraw/zinc/62/60/63/419626063.db2.gz AQBQSJRLASHRNG-NHYWBVRUSA-N 2 1 292.383 -0.355 20 0 CBADMP Cn1c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(=O)n(C)c1=O ZINC000313818755 419626077 /nfs/dbraw/zinc/62/60/77/419626077.db2.gz AQBQSJRLASHRNG-NHYWBVRUSA-N 2 1 292.383 -0.355 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000647830265 419664133 /nfs/dbraw/zinc/66/41/33/419664133.db2.gz FCSYPAJOJPHFKT-GFCCVEGCSA-N 2 1 254.378 -0.569 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000647830265 419664138 /nfs/dbraw/zinc/66/41/38/419664138.db2.gz FCSYPAJOJPHFKT-GFCCVEGCSA-N 3 1 254.378 -0.569 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000647830265 419664144 /nfs/dbraw/zinc/66/41/44/419664144.db2.gz FCSYPAJOJPHFKT-GFCCVEGCSA-N 3 1 254.378 -0.569 20 0 CBADMP CN(CC(F)(F)F)C(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835672 419665572 /nfs/dbraw/zinc/66/55/72/419665572.db2.gz IAQNWQLOOREWAC-UHFFFAOYSA-N 2 1 296.337 -0.156 20 0 CBADMP CN(CC(F)(F)F)C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835672 419665579 /nfs/dbraw/zinc/66/55/79/419665579.db2.gz IAQNWQLOOREWAC-UHFFFAOYSA-N 2 1 296.337 -0.156 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CCC[NH3+])CC1 ZINC000647849069 419668305 /nfs/dbraw/zinc/66/83/05/419668305.db2.gz GVLKIEJIUFBLML-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)CCC[NH3+])CC1 ZINC000647849069 419668312 /nfs/dbraw/zinc/66/83/12/419668312.db2.gz GVLKIEJIUFBLML-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CCC[NH3+] ZINC000647849560 419674509 /nfs/dbraw/zinc/67/45/09/419674509.db2.gz YBWKCRHPKBJDPX-WDEREUQCSA-N 2 1 270.377 -0.621 20 0 CBADMP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)CCC[NH3+] ZINC000647849560 419674513 /nfs/dbraw/zinc/67/45/13/419674513.db2.gz YBWKCRHPKBJDPX-WDEREUQCSA-N 2 1 270.377 -0.621 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000647865686 419675957 /nfs/dbraw/zinc/67/59/57/419675957.db2.gz QDCHZQGCLIBTDQ-STQMWFEESA-N 2 1 284.404 -0.802 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000647865685 419677217 /nfs/dbraw/zinc/67/72/17/419677217.db2.gz QDCHZQGCLIBTDQ-QWHCGFSZSA-N 2 1 284.404 -0.802 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000662673548 419678380 /nfs/dbraw/zinc/67/83/80/419678380.db2.gz MWNFMAGMUVMTCL-HZSPNIEDSA-N 2 1 299.415 -0.177 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[N@H+]1C ZINC000647874486 419681573 /nfs/dbraw/zinc/68/15/73/419681573.db2.gz ZSXAAOBIVIZQEM-IJLUTSLNSA-N 3 1 254.378 -0.572 20 0 CBADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662683431 419682553 /nfs/dbraw/zinc/68/25/53/419682553.db2.gz OEZKNPLCHVUYGS-LBPRGKRZSA-N 2 1 269.389 -0.051 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662685879 419682649 /nfs/dbraw/zinc/68/26/49/419682649.db2.gz ZYHVHEBTHDMUHS-RYUDHWBXSA-N 2 1 273.377 -0.565 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000647882233 419683098 /nfs/dbraw/zinc/68/30/98/419683098.db2.gz ZICWKJKKUCDJFR-LLVKDONJSA-N 2 1 256.350 -0.549 20 0 CBADMP NC(=O)[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647883328 419684953 /nfs/dbraw/zinc/68/49/53/419684953.db2.gz FHTBJRMJOUOCTL-LBPRGKRZSA-N 2 1 255.362 -0.048 20 0 CBADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000338082808 419688485 /nfs/dbraw/zinc/68/84/85/419688485.db2.gz BPURIYHJLAOXHB-STQMWFEESA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000338082808 419688491 /nfs/dbraw/zinc/68/84/91/419688491.db2.gz BPURIYHJLAOXHB-STQMWFEESA-N 2 1 280.416 -0.025 20 0 CBADMP C[N@@H+](CCNC(=O)C1(O)C[NH2+]C1)Cc1ccccc1 ZINC000662695243 419690726 /nfs/dbraw/zinc/69/07/26/419690726.db2.gz YCKKJENEMJCKLH-UHFFFAOYSA-N 2 1 263.341 -0.431 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CC2([NH3+])CC2)C1 ZINC000662706440 419694356 /nfs/dbraw/zinc/69/43/56/419694356.db2.gz VWIVPERELPGSNZ-LLVKDONJSA-N 2 1 282.388 -0.429 20 0 CBADMP CC1([NH3+])CC[NH+](CCC(=O)N2CCNCC2)CC1 ZINC000647924930 419694487 /nfs/dbraw/zinc/69/44/87/419694487.db2.gz WDVBGRAOSMENMG-UHFFFAOYSA-N 2 1 254.378 -0.379 20 0 CBADMP C[NH2+]CCN(C)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000417559921 544591136 /nfs/dbraw/zinc/59/11/36/544591136.db2.gz ATEFFDYISHJRSK-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662704035 419695101 /nfs/dbraw/zinc/69/51/01/419695101.db2.gz SBLHZOQEYYNUGE-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000662717176 419698483 /nfs/dbraw/zinc/69/84/83/419698483.db2.gz LKBLMNACCAEBGN-QWKFWESOSA-N 2 1 253.346 -0.425 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000662717176 419698486 /nfs/dbraw/zinc/69/84/86/419698486.db2.gz LKBLMNACCAEBGN-QWKFWESOSA-N 2 1 253.346 -0.425 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662721165 419700595 /nfs/dbraw/zinc/70/05/95/419700595.db2.gz KNVFCPZPOLVEPU-TUAOUCFPSA-N 2 1 271.361 -0.813 20 0 CBADMP CN(C)C(=O)[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCN1 ZINC000647989966 419703783 /nfs/dbraw/zinc/70/37/83/419703783.db2.gz KTJJUPSSGNOCRG-ZDUSSCGKSA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662745102 419705454 /nfs/dbraw/zinc/70/54/54/419705454.db2.gz FNDXHGDNRRZLJM-JTQLQIEISA-N 2 1 266.349 -0.692 20 0 CBADMP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000662731090 419705663 /nfs/dbraw/zinc/70/56/63/419705663.db2.gz XYRMXWGYVNHBFT-LBPRGKRZSA-N 2 1 277.368 -0.043 20 0 CBADMP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662743713 419707075 /nfs/dbraw/zinc/70/70/75/419707075.db2.gz LCUKEGBJSOIEFU-ZIAGYGMSSA-N 2 1 299.415 -0.081 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662754121 419709421 /nfs/dbraw/zinc/70/94/21/419709421.db2.gz DMZOPIWXBFLRBJ-XEZLXBQYSA-N 2 1 267.373 -0.051 20 0 CBADMP C[C@H](C(=O)NCC[NH2+]C1CC1)N1CC[NH+](C)CC1 ZINC000647755717 419647402 /nfs/dbraw/zinc/64/74/02/419647402.db2.gz BLWLTYBOWLUGOL-LLVKDONJSA-N 2 1 254.378 -0.510 20 0 CBADMP C[C@@H](C(=O)NCC[NH2+]C1CC1)N1CC[NH+](C)CC1 ZINC000647755718 419648420 /nfs/dbraw/zinc/64/84/20/419648420.db2.gz BLWLTYBOWLUGOL-NSHDSACASA-N 2 1 254.378 -0.510 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000405408303 544588046 /nfs/dbraw/zinc/58/80/46/544588046.db2.gz SMLMJCVCHNBVNX-SDDRHHMPSA-N 2 1 253.346 -0.785 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662619458 419655082 /nfs/dbraw/zinc/65/50/82/419655082.db2.gz LTUZGSZXHZDVCT-SNVBAGLBSA-N 2 1 280.376 -0.161 20 0 CBADMP CN(CCC[NH+](C)C)CCNC(=O)CC(F)(F)C[NH3+] ZINC000662632476 419656872 /nfs/dbraw/zinc/65/68/72/419656872.db2.gz QLPJYXBDQUJKCB-UHFFFAOYSA-N 2 1 280.363 -0.030 20 0 CBADMP O=C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCNCC1 ZINC000647799725 419657721 /nfs/dbraw/zinc/65/77/21/419657721.db2.gz PGCAJXZZONCFFS-FRRDWIJNSA-N 2 1 266.389 -0.604 20 0 CBADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662794501 419727349 /nfs/dbraw/zinc/72/73/49/419727349.db2.gz RDUPSCHBRQFSEV-GXTWGEPZSA-N 2 1 289.379 -0.043 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C3(O)C[NH2+]C3)CC[C@@H]21 ZINC000662802703 419729104 /nfs/dbraw/zinc/72/91/04/419729104.db2.gz BXHIFYXCINJJRD-QWRGUYRKSA-N 2 1 253.346 -0.737 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662820626 419738585 /nfs/dbraw/zinc/73/85/85/419738585.db2.gz VDIWIHQKDAQEEZ-OLZOCXBDSA-N 2 1 299.415 -0.081 20 0 CBADMP C[N@H+]1CC[C@](N)(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000648124343 419741485 /nfs/dbraw/zinc/74/14/85/419741485.db2.gz XWPRABGMAWEYST-DMDPSCGWSA-N 2 1 252.362 -0.770 20 0 CBADMP CN1CC[C@]([NH3+])(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000648124343 419741493 /nfs/dbraw/zinc/74/14/93/419741493.db2.gz XWPRABGMAWEYST-DMDPSCGWSA-N 2 1 252.362 -0.770 20 0 CBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1(O)C[NH2+]C1 ZINC000662835053 419744110 /nfs/dbraw/zinc/74/41/10/419744110.db2.gz KIEHYOFOYSQJOI-MNOVXSKESA-N 2 1 253.346 -0.546 20 0 CBADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000648132053 419746230 /nfs/dbraw/zinc/74/62/30/419746230.db2.gz HUNFBISTOZVOHH-AVGNSLFASA-N 2 1 286.395 -0.219 20 0 CBADMP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000662858170 419751701 /nfs/dbraw/zinc/75/17/01/419751701.db2.gz VPFFUFKCKSXOBR-LLVKDONJSA-N 2 1 274.434 -0.351 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@H+]1C ZINC000648148382 419760503 /nfs/dbraw/zinc/76/05/03/419760503.db2.gz BIWOMVFLTCYPLD-GRYCIOLGSA-N 2 1 255.362 -0.179 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000430729738 544593377 /nfs/dbraw/zinc/59/33/77/544593377.db2.gz HJEYGQDNHUJKSU-OLZOCXBDSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)COCC[NH3+])C1 ZINC000648157931 419761753 /nfs/dbraw/zinc/76/17/53/419761753.db2.gz VWFZFMIENRFEGQ-NEPJUHHUSA-N 2 1 255.362 -0.096 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000648180206 419771074 /nfs/dbraw/zinc/77/10/74/419771074.db2.gz HBNDWZGUBKRZLE-UHFFFAOYSA-N 2 1 299.415 -0.066 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1COCC[NH2+]1 ZINC000648180476 419771256 /nfs/dbraw/zinc/77/12/56/419771256.db2.gz CYMBOXNSFGKEHQ-GHMZBOCLSA-N 2 1 253.346 -0.234 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662936732 419783977 /nfs/dbraw/zinc/78/39/77/419783977.db2.gz BLRUHLAWUMAZPN-RYUDHWBXSA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648773120 419799634 /nfs/dbraw/zinc/79/96/34/419799634.db2.gz YFEMDNXDVZHHOG-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000648773120 419799641 /nfs/dbraw/zinc/79/96/41/419799641.db2.gz YFEMDNXDVZHHOG-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCN(CCO)[C@H](C)C2)CC[N@H+]1C ZINC000648867570 419815456 /nfs/dbraw/zinc/81/54/56/419815456.db2.gz RYVAAWNACOBRJU-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)CC[N@@H+]1C ZINC000648867570 419815461 /nfs/dbraw/zinc/81/54/61/419815461.db2.gz RYVAAWNACOBRJU-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)CC[N@H+]1C ZINC000648867570 419815465 /nfs/dbraw/zinc/81/54/65/419815465.db2.gz RYVAAWNACOBRJU-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[N@H+](CCO)[C@H](C)C2)CC[NH+]1C ZINC000648867570 419815469 /nfs/dbraw/zinc/81/54/69/419815469.db2.gz RYVAAWNACOBRJU-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)CC[NH+]1C ZINC000648867570 419815473 /nfs/dbraw/zinc/81/54/73/419815473.db2.gz RYVAAWNACOBRJU-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000353296846 419836486 /nfs/dbraw/zinc/83/64/86/419836486.db2.gz ZBLWXUZPAZDKTO-AWEZNQCLSA-N 2 1 295.387 0.038 20 0 CBADMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353760696 419842556 /nfs/dbraw/zinc/84/25/56/419842556.db2.gz RPZOEQLOVBCKHC-MNOVXSKESA-N 2 1 270.377 -0.574 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353760696 419842559 /nfs/dbraw/zinc/84/25/59/419842559.db2.gz RPZOEQLOVBCKHC-MNOVXSKESA-N 2 1 270.377 -0.574 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H]1O ZINC000663718185 419856779 /nfs/dbraw/zinc/85/67/79/419856779.db2.gz ZMHXQTQYWBKDEK-RFGFWPKPSA-N 2 1 296.415 -0.071 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000649274628 419857114 /nfs/dbraw/zinc/85/71/14/419857114.db2.gz SGSYVVRVMKZRNV-KGLIPLIRSA-N 2 1 298.431 -0.411 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662946728 419790364 /nfs/dbraw/zinc/79/03/64/419790364.db2.gz YMDVTWOICYDNPN-LBPRGKRZSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000346674722 419792529 /nfs/dbraw/zinc/79/25/29/419792529.db2.gz IYCIWHQPDNZGFQ-GFCCVEGCSA-N 2 1 282.388 -0.111 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N(C)Cc2cnc[nH]2)[C@@H](C)C[NH2+]1 ZINC000662954174 419793326 /nfs/dbraw/zinc/79/33/26/419793326.db2.gz MGYZZBWSJZOCRU-UWVGGRQHSA-N 2 1 279.344 -0.423 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649296602 419865119 /nfs/dbraw/zinc/86/51/19/419865119.db2.gz VIDVAFALHOTOMT-URLYPYJESA-N 2 1 255.387 -0.383 20 0 CBADMP C[C@@H](CNC(=O)COC1(C)C[NH2+]C1)C[NH+]1CCOCC1 ZINC000649312539 419877412 /nfs/dbraw/zinc/87/74/12/419877412.db2.gz XWFXDXHMUFWAMA-LBPRGKRZSA-N 2 1 285.388 -0.551 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649318861 419877838 /nfs/dbraw/zinc/87/78/38/419877838.db2.gz QHJXBQXMVOJEQB-LPWJVIDDSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@H](CCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000664082227 419880160 /nfs/dbraw/zinc/88/01/60/419880160.db2.gz ACOLMKMNFUVCQO-CHWSQXEVSA-N 2 1 285.436 -0.128 20 0 CBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C3([NH3+])CC3)C2)CC1 ZINC000649334033 419890445 /nfs/dbraw/zinc/89/04/45/419890445.db2.gz CYNRKPWKWJINIM-LLVKDONJSA-N 2 1 266.389 -0.238 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C3([NH3+])CC3)C2)CC1 ZINC000649334033 419890449 /nfs/dbraw/zinc/89/04/49/419890449.db2.gz CYNRKPWKWJINIM-LLVKDONJSA-N 2 1 266.389 -0.238 20 0 CBADMP CC(=O)N1CC[C@]([NH3+])(C(=O)NCC[N@H+]2CC[C@@H](C)C2)C1 ZINC000649341934 419893822 /nfs/dbraw/zinc/89/38/22/419893822.db2.gz AYTFFVBIDSNNNT-BXUZGUMPSA-N 2 1 282.388 -0.606 20 0 CBADMP CC(=O)N1CC[C@]([NH3+])(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000649341934 419893828 /nfs/dbraw/zinc/89/38/28/419893828.db2.gz AYTFFVBIDSNNNT-BXUZGUMPSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)COC2(C)C[NH2+]C2)C[C@H](C)O1 ZINC000649284652 419861682 /nfs/dbraw/zinc/86/16/82/419861682.db2.gz NSEOWNVUPPEPBL-BETUJISGSA-N 2 1 299.415 -0.020 20 0 CBADMP Cc1[nH+]cc(CN2CC[C@H](NS(C)(=O)=O)C2)n1C ZINC000667654789 544669104 /nfs/dbraw/zinc/66/91/04/544669104.db2.gz KQDIWLVPXCROMH-JTQLQIEISA-N 2 1 272.374 -0.148 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N1 ZINC000667811782 544674286 /nfs/dbraw/zinc/67/42/86/544674286.db2.gz WDVWJBIAPDZRIM-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)CN1CC[NH+](C)CC1 ZINC000649351268 419903581 /nfs/dbraw/zinc/90/35/81/419903581.db2.gz DSZYAFPGRJVQLO-SYQHCUMBSA-N 2 1 280.416 -0.264 20 0 CBADMP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000664384010 419904097 /nfs/dbraw/zinc/90/40/97/419904097.db2.gz AEQAPUBFFYPWHC-NDBYEHHHSA-N 2 1 284.404 -0.357 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664407375 419904232 /nfs/dbraw/zinc/90/42/32/419904232.db2.gz WWWNXLMGHGDXQE-SAXRGWBVSA-N 2 1 296.415 -0.215 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)C1 ZINC000649352950 419905098 /nfs/dbraw/zinc/90/50/98/419905098.db2.gz WROHEQWDCHBRRL-HZSPNIEDSA-N 2 1 280.416 -0.038 20 0 CBADMP C[C@@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+](C)C ZINC000649356133 419905153 /nfs/dbraw/zinc/90/51/53/419905153.db2.gz KXGISKPFQGOHTK-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649351162 419905170 /nfs/dbraw/zinc/90/51/70/419905170.db2.gz WCFDDTLKBTUUCL-UHFFFAOYSA-N 2 1 298.431 -0.491 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CN(CCC[NH+]2CCOCC2)CCO1 ZINC000649410316 419909562 /nfs/dbraw/zinc/90/95/62/419909562.db2.gz LZMGQCRHTVTZMQ-OLZOCXBDSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N(C)CCC[NH3+])CC1 ZINC000649410057 419910467 /nfs/dbraw/zinc/91/04/67/419910467.db2.gz KKGAEBOPNMSHBN-LBPRGKRZSA-N 2 1 256.394 -0.180 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000668362329 544696188 /nfs/dbraw/zinc/69/61/88/544696188.db2.gz WNWBMVHEBIWCCO-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC2CC[NH+](C)CC2)C1 ZINC000358676990 419913174 /nfs/dbraw/zinc/91/31/74/419913174.db2.gz LXODZGLNHFBYJN-CYBMUJFWSA-N 2 1 270.377 -0.554 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CC2)C1 ZINC000668435666 544701849 /nfs/dbraw/zinc/70/18/49/544701849.db2.gz LGMZDQJFKCHIAH-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CC2)C1 ZINC000668435666 544701854 /nfs/dbraw/zinc/70/18/54/544701854.db2.gz LGMZDQJFKCHIAH-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000669402972 544747695 /nfs/dbraw/zinc/74/76/95/544747695.db2.gz CIXINTDQOLKEJE-UONOGXRCSA-N 2 1 295.431 -0.230 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000669402976 544749339 /nfs/dbraw/zinc/74/93/39/544749339.db2.gz CNKDWAGIZNOXLQ-UONOGXRCSA-N 2 1 295.431 -0.230 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000669403283 544749407 /nfs/dbraw/zinc/74/94/07/544749407.db2.gz RHVSDZIJFZFPIS-SDDRHHMPSA-N 2 1 270.377 -0.162 20 0 CBADMP [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCO1 ZINC000669491117 544750785 /nfs/dbraw/zinc/75/07/85/544750785.db2.gz MJBCDUVREGBCEK-OLZOCXBDSA-N 2 1 282.388 -0.160 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC[N@@H+](C)C2CC2)CCO1 ZINC000669477831 544751259 /nfs/dbraw/zinc/75/12/59/544751259.db2.gz JJUHUQNKOHUPSE-ZYHUDNBSSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)[C@H]1C[N@H+](C)CCO1 ZINC000669538485 544753704 /nfs/dbraw/zinc/75/37/04/544753704.db2.gz TUKRGPPFZMSLRE-SDDRHHMPSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538485 544753708 /nfs/dbraw/zinc/75/37/08/544753708.db2.gz TUKRGPPFZMSLRE-SDDRHHMPSA-N 2 1 270.377 -0.243 20 0 CBADMP C[NH+](C)CCN1CC[N@H+](CCCCCO)CC1=O ZINC000649687062 419924368 /nfs/dbraw/zinc/92/43/68/419924368.db2.gz HEURUPGOKNZXNU-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](CCCCCO)CC1=O ZINC000649687062 419924372 /nfs/dbraw/zinc/92/43/72/419924372.db2.gz HEURUPGOKNZXNU-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C[C@@H](C)[NH+]1C ZINC000358713758 419917110 /nfs/dbraw/zinc/91/71/10/419917110.db2.gz SDAWPGJKSPKJEC-MGPQQGTHSA-N 2 1 280.416 -0.073 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+](CC(N)=O)C2CCCC2)CC1 ZINC000669928589 544768352 /nfs/dbraw/zinc/76/83/52/544768352.db2.gz ULZCVUDWMHALBB-UHFFFAOYSA-N 2 1 296.415 -0.120 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+](CC(N)=O)C2CCCC2)CC1 ZINC000669928589 544768354 /nfs/dbraw/zinc/76/83/54/544768354.db2.gz ULZCVUDWMHALBB-UHFFFAOYSA-N 2 1 296.415 -0.120 20 0 CBADMP CC(C)[C@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685057 419925502 /nfs/dbraw/zinc/92/55/02/419925502.db2.gz MMGLTQLLHHMFTK-GFCCVEGCSA-N 2 1 257.378 -0.291 20 0 CBADMP CC(C)[C@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685057 419925508 /nfs/dbraw/zinc/92/55/08/419925508.db2.gz MMGLTQLLHHMFTK-GFCCVEGCSA-N 2 1 257.378 -0.291 20 0 CBADMP C[C@H](CO)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665637674 419959353 /nfs/dbraw/zinc/95/93/53/419959353.db2.gz KWDRCBITBAYFAU-NWDGAFQWSA-N 2 1 274.409 -0.062 20 0 CBADMP C[C@H](CO)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665637674 419959358 /nfs/dbraw/zinc/95/93/58/419959358.db2.gz KWDRCBITBAYFAU-NWDGAFQWSA-N 2 1 274.409 -0.062 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650781280 419965298 /nfs/dbraw/zinc/96/52/98/419965298.db2.gz WZWQUNVMOGZDMB-WCQYABFASA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650781280 419965301 /nfs/dbraw/zinc/96/53/01/419965301.db2.gz WZWQUNVMOGZDMB-WCQYABFASA-N 2 1 284.404 -0.213 20 0 CBADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1C[NH3+] ZINC000650714420 419967621 /nfs/dbraw/zinc/96/76/21/419967621.db2.gz BPTODCDPTNPOQA-BFHYXJOUSA-N 3 1 298.431 -0.521 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000360108677 420003853 /nfs/dbraw/zinc/00/38/53/420003853.db2.gz ADUHKTMGEOQGOI-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000360108677 420003855 /nfs/dbraw/zinc/00/38/55/420003855.db2.gz ADUHKTMGEOQGOI-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000360108677 420003859 /nfs/dbraw/zinc/00/38/59/420003859.db2.gz ADUHKTMGEOQGOI-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000360108677 420003862 /nfs/dbraw/zinc/00/38/62/420003862.db2.gz ADUHKTMGEOQGOI-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCN(CC(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000360121718 420005309 /nfs/dbraw/zinc/00/53/09/420005309.db2.gz AWKATBGESGWIHV-UHFFFAOYSA-N 2 1 286.420 -0.682 20 0 CBADMP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000360168116 420008345 /nfs/dbraw/zinc/00/83/45/420008345.db2.gz BINAUOZRTUWZGK-RYUDHWBXSA-N 2 1 286.445 -0.209 20 0 CBADMP C[C@@H]1C[NH+](CC2(C[N@@H+]3C[C@H](C)[C@H](O)C3)COC2)C[C@@H]1O ZINC000360210319 420009903 /nfs/dbraw/zinc/00/99/03/420009903.db2.gz WSHGYONKMBWIMO-LVEBTZEWSA-N 2 1 284.400 -0.372 20 0 CBADMP C[C@@H]1C[N@@H+](CC2(C[NH+]3C[C@H](C)[C@H](O)C3)COC2)C[C@@H]1O ZINC000360210319 420009906 /nfs/dbraw/zinc/00/99/06/420009906.db2.gz WSHGYONKMBWIMO-LVEBTZEWSA-N 2 1 284.400 -0.372 20 0 CBADMP C[C@@H]1C[N@H+](CC2(C[NH+]3C[C@H](C)[C@H](O)C3)COC2)C[C@@H]1O ZINC000360210319 420009910 /nfs/dbraw/zinc/00/99/10/420009910.db2.gz WSHGYONKMBWIMO-LVEBTZEWSA-N 2 1 284.400 -0.372 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652150477 420049626 /nfs/dbraw/zinc/04/96/26/420049626.db2.gz XWYPECCZXBSZAY-GFCCVEGCSA-N 2 1 283.420 -0.340 20 0 CBADMP C[C@@H](CO)[N@@H+]1CCCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000364960663 420050538 /nfs/dbraw/zinc/05/05/38/420050538.db2.gz RWMUPFBEELVKRS-AWEZNQCLSA-N 2 1 298.431 -0.851 20 0 CBADMP C[C@@H](CO)[N@H+]1CCCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000364960663 420050541 /nfs/dbraw/zinc/05/05/41/420050541.db2.gz RWMUPFBEELVKRS-AWEZNQCLSA-N 2 1 298.431 -0.851 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000652337325 420056607 /nfs/dbraw/zinc/05/66/07/420056607.db2.gz CTAVHWCWQYIXAR-DGCLKSJQSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000652337325 420056610 /nfs/dbraw/zinc/05/66/10/420056610.db2.gz CTAVHWCWQYIXAR-DGCLKSJQSA-N 2 1 270.377 -0.554 20 0 CBADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000652341751 420057232 /nfs/dbraw/zinc/05/72/32/420057232.db2.gz MVJKYOWUDKXZHX-QWRGUYRKSA-N 2 1 297.321 -0.043 20 0 CBADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000652341751 420057234 /nfs/dbraw/zinc/05/72/34/420057234.db2.gz MVJKYOWUDKXZHX-QWRGUYRKSA-N 2 1 297.321 -0.043 20 0 CBADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000365320862 420059280 /nfs/dbraw/zinc/05/92/80/420059280.db2.gz OSAURQQLFGKNPN-RFQIPJPRSA-N 2 1 299.415 -0.285 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000365721083 420064957 /nfs/dbraw/zinc/06/49/57/420064957.db2.gz XVMUMBZETYTPBE-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000365721083 420064962 /nfs/dbraw/zinc/06/49/62/420064962.db2.gz XVMUMBZETYTPBE-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000367652696 420112998 /nfs/dbraw/zinc/11/29/98/420112998.db2.gz GVUKBLXUSAWRBE-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111382 420116267 /nfs/dbraw/zinc/11/62/67/420116267.db2.gz NQSWFYUJVZRXGH-ABHRYQDASA-N 2 1 279.384 -0.035 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653117334 420119439 /nfs/dbraw/zinc/11/94/39/420119439.db2.gz IUYYYTWCIDDARZ-YDHLFZDLSA-N 2 1 279.384 -0.177 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CC1 ZINC000653115427 420119580 /nfs/dbraw/zinc/11/95/80/420119580.db2.gz OPDWKPWZFZCUTL-FZMZJTMJSA-N 2 1 267.373 -0.177 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[N@H+]1C1CC1 ZINC000653123750 420120213 /nfs/dbraw/zinc/12/02/13/420120213.db2.gz GAVLWSYINNVWLP-YXMPFFBPSA-N 2 1 279.384 -0.036 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653147871 420123034 /nfs/dbraw/zinc/12/30/34/420123034.db2.gz DMWFHZIMPYELQQ-ZFWWWQNUSA-N 2 1 297.399 -0.597 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000653144423 420123196 /nfs/dbraw/zinc/12/31/96/420123196.db2.gz SKZLYXHRWOYISC-PWSUYJOCSA-N 2 1 260.357 -0.575 20 0 CBADMP CCO[C@@H]1CN(C(=O)CC(F)(F)C[NH3+])C[C@H]1C[NH3+] ZINC000653248978 420132410 /nfs/dbraw/zinc/13/24/10/420132410.db2.gz LHACZQDISHVIES-RKDXNWHRSA-N 2 1 265.304 -0.207 20 0 CBADMP CN(CC[NH+]1CCCCC1)C(=O)[C@H]([NH3+])CC(N)=O ZINC000653274751 420134389 /nfs/dbraw/zinc/13/43/89/420134389.db2.gz NUTSLNNRMRSKER-SNVBAGLBSA-N 2 1 256.350 -0.867 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CCCC[C@@H]2C(=[NH2+])NO)CC1 ZINC000368479868 420134572 /nfs/dbraw/zinc/13/45/72/420134572.db2.gz XHEGGXUIGMJIRR-GFCCVEGCSA-N 2 1 297.403 -0.039 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000368570731 420136769 /nfs/dbraw/zinc/13/67/69/420136769.db2.gz YXDRDIHUZCGBIB-NEPJUHHUSA-N 2 1 282.388 -0.334 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H](NC[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000653285117 420136893 /nfs/dbraw/zinc/13/68/93/420136893.db2.gz DFNKTIYDEQQAKA-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H]2CO)C1=O ZINC000653285496 420137474 /nfs/dbraw/zinc/13/74/74/420137474.db2.gz QJEWGMUTPXYFGP-VXGBXAGGSA-N 2 1 283.372 -0.478 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000652696559 420073274 /nfs/dbraw/zinc/07/32/74/420073274.db2.gz MUURCSQCACGKSB-LLVKDONJSA-N 2 1 272.393 -0.456 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000652700034 420074126 /nfs/dbraw/zinc/07/41/26/420074126.db2.gz JTLGVGXEJZUMRH-UHFFFAOYSA-N 2 1 286.420 -0.066 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000652705101 420075977 /nfs/dbraw/zinc/07/59/77/420075977.db2.gz AAMHSNLQDCXYLU-UHFFFAOYSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H](C)[NH3+])CC2)C1 ZINC000370780609 420187744 /nfs/dbraw/zinc/18/77/44/420187744.db2.gz UMVTYAHHNBBZAG-CHWSQXEVSA-N 2 1 284.404 -0.802 20 0 CBADMP CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H](C)[NH3+])CC2)C1 ZINC000370780609 420187748 /nfs/dbraw/zinc/18/77/48/420187748.db2.gz UMVTYAHHNBBZAG-CHWSQXEVSA-N 2 1 284.404 -0.802 20 0 CBADMP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[NH+](C2CCC2)CC1 ZINC000378677459 420196223 /nfs/dbraw/zinc/19/62/23/420196223.db2.gz PZGXJLXVMNADFN-UHFFFAOYSA-N 2 1 294.399 -0.495 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000381034827 420198772 /nfs/dbraw/zinc/19/87/72/420198772.db2.gz UGNVGSQSQUNOSV-GFCCVEGCSA-N 2 1 253.350 -0.157 20 0 CBADMP CC[C@H]([NH3+])c1cn(C[C@@H](O)C[N@@H+](C)CCOC)nn1 ZINC000388776469 420204258 /nfs/dbraw/zinc/20/42/58/420204258.db2.gz MPJAQGATCMHSNM-QWRGUYRKSA-N 2 1 271.365 -0.373 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000388558255 420205870 /nfs/dbraw/zinc/20/58/70/420205870.db2.gz ZYKBYRIJHDLYAI-NEPJUHHUSA-N 2 1 293.433 -0.376 20 0 CBADMP O=C(NCCC[NH+]1CCCC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653478480 420144577 /nfs/dbraw/zinc/14/45/77/420144577.db2.gz FMYGZTXPPCQYNK-UONOGXRCSA-N 2 1 296.415 -0.067 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000653542040 420149493 /nfs/dbraw/zinc/14/94/93/420149493.db2.gz DKRNQNAYSUFCKG-SOUVJXGZSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CC(N)=O)C1 ZINC000653563596 420150362 /nfs/dbraw/zinc/15/03/62/420150362.db2.gz UQAZWESICTYGRR-VXGBXAGGSA-N 2 1 257.378 -0.114 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000653563596 420150370 /nfs/dbraw/zinc/15/03/70/420150370.db2.gz UQAZWESICTYGRR-VXGBXAGGSA-N 2 1 257.378 -0.114 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000653563596 420150375 /nfs/dbraw/zinc/15/03/75/420150375.db2.gz UQAZWESICTYGRR-VXGBXAGGSA-N 2 1 257.378 -0.114 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H](NC(=O)NC)C1 ZINC000653618380 420151602 /nfs/dbraw/zinc/15/16/02/420151602.db2.gz DKDXKKRJBHQUKP-QWRGUYRKSA-N 2 1 258.366 -0.698 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCNC(=O)C[C@@H]1C ZINC000653593716 420152093 /nfs/dbraw/zinc/15/20/93/420152093.db2.gz MDICGDYPFUNMNX-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H](C)C[C@@H]1C(N)=O ZINC000653625951 420152196 /nfs/dbraw/zinc/15/21/96/420152196.db2.gz YHPPYNMTWSPDPE-SDDRHHMPSA-N 2 1 257.378 -0.115 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCNC(=O)C[C@H]1C ZINC000653593718 420153839 /nfs/dbraw/zinc/15/38/39/420153839.db2.gz MDICGDYPFUNMNX-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000653663789 420154230 /nfs/dbraw/zinc/15/42/30/420154230.db2.gz KAMLTAXHXFWGKZ-GHMZBOCLSA-N 2 1 257.378 -0.054 20 0 CBADMP C[NH+](C)CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369340704 420157115 /nfs/dbraw/zinc/15/71/15/420157115.db2.gz ADIAAIZMMRIOGM-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CCOC)CC[NH+](C)C)C1 ZINC000369679783 420163588 /nfs/dbraw/zinc/16/35/88/420163588.db2.gz XOGYLOIQZIWOSF-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCc2nccn2C)C1 ZINC000369678536 420163610 /nfs/dbraw/zinc/16/36/10/420163610.db2.gz OBVJQBDPTXTTQX-JTQLQIEISA-N 2 1 252.318 -0.243 20 0 CBADMP O=C1CNC(=O)N1CCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369600041 420163709 /nfs/dbraw/zinc/16/37/09/420163709.db2.gz NRZXLXTUWGROSE-AGIUHOORSA-N 2 1 292.383 -0.046 20 0 CBADMP O=C1CNC(=O)N1CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000369600041 420163712 /nfs/dbraw/zinc/16/37/12/420163712.db2.gz NRZXLXTUWGROSE-AGIUHOORSA-N 2 1 292.383 -0.046 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000369600041 420163714 /nfs/dbraw/zinc/16/37/14/420163714.db2.gz NRZXLXTUWGROSE-AGIUHOORSA-N 2 1 292.383 -0.046 20 0 CBADMP O=C1CNC(=O)N1CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369600041 420163718 /nfs/dbraw/zinc/16/37/18/420163718.db2.gz NRZXLXTUWGROSE-AGIUHOORSA-N 2 1 292.383 -0.046 20 0 CBADMP O=C1CNC(=O)N1CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369600041 420163722 /nfs/dbraw/zinc/16/37/22/420163722.db2.gz NRZXLXTUWGROSE-AGIUHOORSA-N 2 1 292.383 -0.046 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000369680573 420163986 /nfs/dbraw/zinc/16/39/86/420163986.db2.gz UKJUGWHDRBAVCM-LBPRGKRZSA-N 2 1 295.387 0.104 20 0 CBADMP O[C@@H]1C[C@H]2CN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC[NH+]2C1 ZINC000653829151 420166698 /nfs/dbraw/zinc/16/66/98/420166698.db2.gz ALPIUQXYRISRLC-LJISPDSOSA-N 2 1 281.400 -0.400 20 0 CBADMP O[C@@H]1C[C@H]2CN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC[NH+]2C1 ZINC000653829151 420166702 /nfs/dbraw/zinc/16/67/02/420166702.db2.gz ALPIUQXYRISRLC-LJISPDSOSA-N 2 1 281.400 -0.400 20 0 CBADMP O[C@@H]1C[C@H]2CN(CC[NH+]3C[C@H]4CC[C@@H](C3)O4)CC[N@@H+]2C1 ZINC000653829151 420166705 /nfs/dbraw/zinc/16/67/05/420166705.db2.gz ALPIUQXYRISRLC-LJISPDSOSA-N 2 1 281.400 -0.400 20 0 CBADMP O[C@@H]1C[C@H]2CN(CC[NH+]3C[C@H]4CC[C@@H](C3)O4)CC[N@H+]2C1 ZINC000653829151 420166710 /nfs/dbraw/zinc/16/67/10/420166710.db2.gz ALPIUQXYRISRLC-LJISPDSOSA-N 2 1 281.400 -0.400 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000370037522 420171832 /nfs/dbraw/zinc/17/18/32/420171832.db2.gz RJOATVBBZBJKOU-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000370037522 420171834 /nfs/dbraw/zinc/17/18/34/420171834.db2.gz RJOATVBBZBJKOU-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654408727 420178154 /nfs/dbraw/zinc/17/81/54/420178154.db2.gz GASJZPIMMAZDAJ-FRRDWIJNSA-N 2 1 284.404 -0.213 20 0 CBADMP Cc1ccc(NCCCNC(=O)NCC[NH3+])[nH+]c1 ZINC000417070650 420241537 /nfs/dbraw/zinc/24/15/37/420241537.db2.gz VPEMUHAOHWIELD-UHFFFAOYSA-N 2 1 251.334 0.450 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418568859 420241834 /nfs/dbraw/zinc/24/18/34/420241834.db2.gz BPCRKPRQINCVOS-NEPJUHHUSA-N 2 1 272.393 -0.130 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419739842 420245579 /nfs/dbraw/zinc/24/55/79/420245579.db2.gz WSUULNJDVCALIC-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419341160 420245628 /nfs/dbraw/zinc/24/56/28/420245628.db2.gz YAJGTLHPRHORSR-ZYHUDNBSSA-N 2 1 294.399 -0.417 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419862996 420246357 /nfs/dbraw/zinc/24/63/57/420246357.db2.gz DKQFJGKVXBEIEF-FRRDWIJNSA-N 2 1 296.415 -0.027 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419901829 420247686 /nfs/dbraw/zinc/24/76/86/420247686.db2.gz VDLDYYGRZRVBDT-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000420006603 420247901 /nfs/dbraw/zinc/24/79/01/420247901.db2.gz ZJEKVABRNHEQFU-CHWSQXEVSA-N 2 1 298.431 -0.116 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000420006603 420247905 /nfs/dbraw/zinc/24/79/05/420247905.db2.gz ZJEKVABRNHEQFU-CHWSQXEVSA-N 2 1 298.431 -0.116 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000420150531 420248119 /nfs/dbraw/zinc/24/81/19/420248119.db2.gz KRTZNRTVOGCMAY-SECBINFHSA-N 2 1 292.330 -0.751 20 0 CBADMP C[C@@H](O)CNc1cc(NC[C@@H]2C[NH2+]CCN2C)nc[nH+]1 ZINC000420275610 420252459 /nfs/dbraw/zinc/25/24/59/420252459.db2.gz OGXLVBVTADAEHH-MNOVXSKESA-N 2 1 280.376 -0.415 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH2+]C)C[C@@H]1C ZINC000423386595 420255683 /nfs/dbraw/zinc/25/56/83/420255683.db2.gz LZIBZXMJFOJCJM-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH2+]C)C[C@@H]1C ZINC000423386595 420255686 /nfs/dbraw/zinc/25/56/86/420255686.db2.gz LZIBZXMJFOJCJM-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488055 420255770 /nfs/dbraw/zinc/25/57/70/420255770.db2.gz RZSKUFFINVTGDR-MQYQWHSLSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488055 420255772 /nfs/dbraw/zinc/25/57/72/420255772.db2.gz RZSKUFFINVTGDR-MQYQWHSLSA-N 2 1 299.415 -0.021 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423203892 420255984 /nfs/dbraw/zinc/25/59/84/420255984.db2.gz AKVQVHURVAESGM-ZDUSSCGKSA-N 2 1 296.415 -0.121 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487523 420256188 /nfs/dbraw/zinc/25/61/88/420256188.db2.gz GUAUJFZQGUKNCM-NDBYEHHHSA-N 2 1 287.404 -0.036 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487523 420256194 /nfs/dbraw/zinc/25/61/94/420256194.db2.gz GUAUJFZQGUKNCM-NDBYEHHHSA-N 2 1 287.404 -0.036 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000422972987 420256197 /nfs/dbraw/zinc/25/61/97/420256197.db2.gz NJSQPEVSPQMDLB-AGIUHOORSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655515426 420261799 /nfs/dbraw/zinc/26/17/99/420261799.db2.gz JXLGOGDQVDFAES-HTQZYQBOSA-N 2 1 269.267 -0.287 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655515426 420261804 /nfs/dbraw/zinc/26/18/04/420261804.db2.gz JXLGOGDQVDFAES-HTQZYQBOSA-N 2 1 269.267 -0.287 20 0 CBADMP CC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430886524 420272411 /nfs/dbraw/zinc/27/24/11/420272411.db2.gz AOTGVWZHVJYUJO-MNOVXSKESA-N 2 1 270.377 -0.573 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000430618834 420272701 /nfs/dbraw/zinc/27/27/01/420272701.db2.gz XIPVAAKUSIATQU-JSGCOSHPSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000430618834 420272704 /nfs/dbraw/zinc/27/27/04/420272704.db2.gz XIPVAAKUSIATQU-JSGCOSHPSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000430614984 420273434 /nfs/dbraw/zinc/27/34/34/420273434.db2.gz AQDKDEFCYPKCFB-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655924813 420277524 /nfs/dbraw/zinc/27/75/24/420277524.db2.gz QXAQSKOVPSKSAN-QMMMGPOBSA-N 2 1 286.298 -0.511 20 0 CBADMP C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000655919857 420277754 /nfs/dbraw/zinc/27/77/54/420277754.db2.gz GBXWMLYPVMMNBB-XHNCKOQMSA-N 2 1 298.309 -0.106 20 0 CBADMP C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000655919857 420277758 /nfs/dbraw/zinc/27/77/58/420277758.db2.gz GBXWMLYPVMMNBB-XHNCKOQMSA-N 2 1 298.309 -0.106 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655932244 420281171 /nfs/dbraw/zinc/28/11/71/420281171.db2.gz UDNZWQCJSIRSIO-RKDXNWHRSA-N 2 1 298.309 -0.416 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655932244 420281176 /nfs/dbraw/zinc/28/11/76/420281176.db2.gz UDNZWQCJSIRSIO-RKDXNWHRSA-N 2 1 298.309 -0.416 20 0 CBADMP C[C@@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000655962064 420282298 /nfs/dbraw/zinc/28/22/98/420282298.db2.gz HTEWWMNSZYINCM-YIYPIFLZSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@]1(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCC[NH2+]C1 ZINC000655965447 420284146 /nfs/dbraw/zinc/28/41/46/420284146.db2.gz UQWRZYDITWVMOQ-GUTXKFCHSA-N 2 1 296.415 -0.164 20 0 CBADMP [NH3+]C1(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCC1 ZINC000655965067 420284391 /nfs/dbraw/zinc/28/43/91/420284391.db2.gz MKXIYJIKEUKVNM-WDEREUQCSA-N 2 1 268.361 -0.672 20 0 CBADMP C[C@@H](CCCC[NH3+])NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968002 420284443 /nfs/dbraw/zinc/28/44/43/420284443.db2.gz KNFOIKDRGBGMOS-RWMBFGLXSA-N 2 1 284.404 -0.036 20 0 CBADMP [NH3+]C[C@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CCCC1 ZINC000655967641 420284963 /nfs/dbraw/zinc/28/49/63/420284963.db2.gz ZVQHZUAHZDZKMX-MJBXVCDLSA-N 2 1 296.415 -0.036 20 0 CBADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655968909 420285737 /nfs/dbraw/zinc/28/57/37/420285737.db2.gz AWRCOBSCEDGSDN-FVCCEPFGSA-N 2 1 282.388 -0.426 20 0 CBADMP [NH3+]C[C@@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CCCC1 ZINC000655967640 420285751 /nfs/dbraw/zinc/28/57/51/420285751.db2.gz ZVQHZUAHZDZKMX-BFHYXJOUSA-N 2 1 296.415 -0.036 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](Cn2cc([C@H]([NH3+])CO)nn2)C1 ZINC000656449050 420310082 /nfs/dbraw/zinc/31/00/82/420310082.db2.gz WWKUWSWTYPFVJB-NWDGAFQWSA-N 2 1 283.376 -0.373 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](Cn2cc(C[C@@H]([NH3+])CO)nn2)C1 ZINC000656448994 420310328 /nfs/dbraw/zinc/31/03/28/420310328.db2.gz TTWFBIOJIUWNQI-TZMCWYRMSA-N 2 1 297.403 -0.503 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000673517873 544875360 /nfs/dbraw/zinc/87/53/60/544875360.db2.gz XVIHKRFPEGLKFV-QWHCGFSZSA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673517873 544875365 /nfs/dbraw/zinc/87/53/65/544875365.db2.gz XVIHKRFPEGLKFV-QWHCGFSZSA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673517873 544875370 /nfs/dbraw/zinc/87/53/70/544875370.db2.gz XVIHKRFPEGLKFV-QWHCGFSZSA-N 2 1 269.389 -0.006 20 0 CBADMP CCOC(=O)CCCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000516785207 420363611 /nfs/dbraw/zinc/36/36/11/420363611.db2.gz HDPWYAJKIJYPOU-VXGBXAGGSA-N 2 1 283.372 -0.036 20 0 CBADMP C[C@@H](Cn1cncn1)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657873046 420363805 /nfs/dbraw/zinc/36/38/05/420363805.db2.gz QXLANAYGROFRPD-QWHCGFSZSA-N 2 1 294.403 -0.156 20 0 CBADMP C[NH+]1CCC([NH2+]C[C@@]2(OCCO)CCOC2)CC1 ZINC000657596492 420357852 /nfs/dbraw/zinc/35/78/52/420357852.db2.gz IUBFTIVBFKJPAE-ZDUSSCGKSA-N 2 1 258.362 -0.162 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673531286 544878986 /nfs/dbraw/zinc/87/89/86/544878986.db2.gz LJNJZBDPOLEJLD-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656022120 420293199 /nfs/dbraw/zinc/29/31/99/420293199.db2.gz BYNNOMFIQOONJA-UPJWGTAASA-N 2 1 296.415 -0.027 20 0 CBADMP O=C(NCC1C[NH2+]C1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656022965 420293703 /nfs/dbraw/zinc/29/37/03/420293703.db2.gz PUSDIRLGGXFYLB-STQMWFEESA-N 2 1 294.399 -0.545 20 0 CBADMP COc1c(N)ncnc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000656204350 420302270 /nfs/dbraw/zinc/30/22/70/420302270.db2.gz UJDYBXLJCUDQCN-SECBINFHSA-N 2 1 265.317 -0.677 20 0 CBADMP COc1c(N)ncnc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000656204350 420302271 /nfs/dbraw/zinc/30/22/71/420302271.db2.gz UJDYBXLJCUDQCN-SECBINFHSA-N 2 1 265.317 -0.677 20 0 CBADMP CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000479292720 420305381 /nfs/dbraw/zinc/30/53/81/420305381.db2.gz BALMCPJXMAADGJ-IJLUTSLNSA-N 2 1 253.346 -0.596 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC(=O)NC3CCCC3)CCN2C1=O ZINC000516982049 420369966 /nfs/dbraw/zinc/36/99/66/420369966.db2.gz SLJGRLRWJRKPSM-QWHCGFSZSA-N 2 1 294.399 -0.321 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC(=O)NC3CCCC3)CCN2C1=O ZINC000516982049 420369971 /nfs/dbraw/zinc/36/99/71/420369971.db2.gz SLJGRLRWJRKPSM-QWHCGFSZSA-N 2 1 294.399 -0.321 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000517358501 420375611 /nfs/dbraw/zinc/37/56/11/420375611.db2.gz FUYYQRLHDGZGSM-NXEZZACHSA-N 2 1 276.331 -0.749 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658465611 420379471 /nfs/dbraw/zinc/37/94/71/420379471.db2.gz TWLDRBWJDGAWOS-UHFFFAOYSA-N 2 1 296.415 -0.439 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000519714282 420387995 /nfs/dbraw/zinc/38/79/95/420387995.db2.gz OZEVSLBLXJJCPO-BBBLOLIVSA-N 2 1 257.334 -0.524 20 0 CBADMP CCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000658808010 420388107 /nfs/dbraw/zinc/38/81/07/420388107.db2.gz SZXAGKSZHVKTJD-LBPRGKRZSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+](C)C ZINC000674289742 544902851 /nfs/dbraw/zinc/90/28/51/544902851.db2.gz QENLETIWGKFJIB-NSHDSACASA-N 2 1 284.404 -0.395 20 0 CBADMP Cn1[nH]c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1=O ZINC000516971244 420367784 /nfs/dbraw/zinc/36/77/84/420367784.db2.gz PKKKVAZOLQTYMC-MNOVXSKESA-N 2 1 265.361 -0.070 20 0 CBADMP CCN1CCN(CC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000676348051 544948700 /nfs/dbraw/zinc/94/87/00/544948700.db2.gz NTASWKLVUWYSGJ-KGLIPLIRSA-N 2 1 298.431 -0.541 20 0 CBADMP C[C@H](NC(=O)CN1CC[NH+](C)CC1)[C@H]1CN(C)CCO1 ZINC000676346634 544949014 /nfs/dbraw/zinc/94/90/14/544949014.db2.gz COTQICNFRDWATR-QWHCGFSZSA-N 2 1 284.404 -0.931 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676287029 544944754 /nfs/dbraw/zinc/94/47/54/544944754.db2.gz MZJUFVRNZLYIIJ-SRVKXCTJSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676287029 544944755 /nfs/dbraw/zinc/94/47/55/544944755.db2.gz MZJUFVRNZLYIIJ-SRVKXCTJSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676287029 544944756 /nfs/dbraw/zinc/94/47/56/544944756.db2.gz MZJUFVRNZLYIIJ-SRVKXCTJSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676287029 544944757 /nfs/dbraw/zinc/94/47/57/544944757.db2.gz MZJUFVRNZLYIIJ-SRVKXCTJSA-N 2 1 255.362 -0.227 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000659456969 420420495 /nfs/dbraw/zinc/42/04/95/420420495.db2.gz VBJVUWPNXDXZGK-QWHCGFSZSA-N 2 1 295.431 -0.184 20 0 CBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000659456969 420420498 /nfs/dbraw/zinc/42/04/98/420420498.db2.gz VBJVUWPNXDXZGK-QWHCGFSZSA-N 2 1 295.431 -0.184 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659440756 420420833 /nfs/dbraw/zinc/42/08/33/420420833.db2.gz KWGCRHVKLFJGQQ-VIFPVBQESA-N 2 1 294.359 -0.466 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000659453079 420421003 /nfs/dbraw/zinc/42/10/03/420421003.db2.gz UETFWAGLTRNRDZ-NSHDSACASA-N 2 1 299.419 -0.554 20 0 CBADMP C[C@@H](NC(=O)N1CC2CC1(C[NH3+])C2)[C@@H]1C[N@H+](C)CCO1 ZINC000659470301 420422126 /nfs/dbraw/zinc/42/21/26/420422126.db2.gz ACWYKNURSMZIET-JJMZSNKZSA-N 2 1 282.388 -0.162 20 0 CBADMP C[C@@H](NC(=O)N1CC2CC1(C[NH3+])C2)[C@@H]1C[N@@H+](C)CCO1 ZINC000659470301 420422130 /nfs/dbraw/zinc/42/21/30/420422130.db2.gz ACWYKNURSMZIET-JJMZSNKZSA-N 2 1 282.388 -0.162 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000659458816 420422215 /nfs/dbraw/zinc/42/22/15/420422215.db2.gz UKDKQTPXHQDNEL-GHMZBOCLSA-N 2 1 258.366 -0.386 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000659459038 420422307 /nfs/dbraw/zinc/42/23/07/420422307.db2.gz YBPHTFPHLXQIDN-NEPJUHHUSA-N 2 1 272.393 -0.138 20 0 CBADMP [NH3+]CC12CC(C1)CN2C(=O)NCC[N@H+]1CCCOCC1 ZINC000659496789 420423791 /nfs/dbraw/zinc/42/37/91/420423791.db2.gz ZCALELDXVHICEX-UHFFFAOYSA-N 2 1 282.388 -0.159 20 0 CBADMP CC[N@@H+]1CCN(C(=O)[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000677171613 544969838 /nfs/dbraw/zinc/96/98/38/544969838.db2.gz BRCNRPLZZCHZAQ-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+]1CCN(C(=O)[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000677171613 544969840 /nfs/dbraw/zinc/96/98/40/544969840.db2.gz BRCNRPLZZCHZAQ-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000659610167 420436843 /nfs/dbraw/zinc/43/68/43/420436843.db2.gz LZWXNKUVNNYIFK-QWHCGFSZSA-N 2 1 283.420 -0.245 20 0 CBADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)NCC12CC(C1)C[NH2+]2 ZINC000659613446 420436898 /nfs/dbraw/zinc/43/68/98/420436898.db2.gz GWLWGVPTDPVFSG-JVWICGRDSA-N 2 1 296.415 -0.116 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000659612932 420437040 /nfs/dbraw/zinc/43/70/40/420437040.db2.gz YHYWXRVVESTQQE-GFCCVEGCSA-N 2 1 282.388 -0.146 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000679315264 545026209 /nfs/dbraw/zinc/02/62/09/545026209.db2.gz QYZXQAKTNYLEOD-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000679315264 545026210 /nfs/dbraw/zinc/02/62/10/545026210.db2.gz QYZXQAKTNYLEOD-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000679351962 545026937 /nfs/dbraw/zinc/02/69/37/545026937.db2.gz FZPWHFSUAKAZEP-KGLIPLIRSA-N 2 1 280.416 -0.214 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000679351962 545026938 /nfs/dbraw/zinc/02/69/38/545026938.db2.gz FZPWHFSUAKAZEP-KGLIPLIRSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000680833514 545041204 /nfs/dbraw/zinc/04/12/04/545041204.db2.gz ZMTHAZRLPVZEIB-DGCLKSJQSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000680833514 545041205 /nfs/dbraw/zinc/04/12/05/545041205.db2.gz ZMTHAZRLPVZEIB-DGCLKSJQSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000680833514 545041206 /nfs/dbraw/zinc/04/12/06/545041206.db2.gz ZMTHAZRLPVZEIB-DGCLKSJQSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000659750505 420467713 /nfs/dbraw/zinc/46/77/13/420467713.db2.gz OOCZEVOVWYBDBJ-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000659756712 420469418 /nfs/dbraw/zinc/46/94/18/420469418.db2.gz SHMYEPZSWVVAOO-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000659758025 420469504 /nfs/dbraw/zinc/46/95/04/420469504.db2.gz XFRSDHXQRUNLSL-SRVKXCTJSA-N 2 1 284.404 -0.491 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659757569 420469589 /nfs/dbraw/zinc/46/95/89/420469589.db2.gz ZTVWOHKUZBWFGJ-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@@H](CNC(=O)/C=C\C[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000491861374 230331296 /nfs/dbraw/zinc/33/12/96/230331296.db2.gz AKOPEUXJPNPUKW-SZZPACECSA-N 2 1 268.405 -0.144 20 0 CBADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@](C)(O)CO)cn2)CC1 ZINC000684536582 545075483 /nfs/dbraw/zinc/07/54/83/545075483.db2.gz LTPWKIPVNIPHSV-CQSZACIVSA-N 2 1 295.387 -0.939 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000682010699 545053210 /nfs/dbraw/zinc/05/32/10/545053210.db2.gz FQUUNQSTLUFHCF-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000682010699 545053212 /nfs/dbraw/zinc/05/32/12/545053212.db2.gz FQUUNQSTLUFHCF-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000682010699 545053213 /nfs/dbraw/zinc/05/32/13/545053213.db2.gz FQUUNQSTLUFHCF-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000682010699 545053215 /nfs/dbraw/zinc/05/32/15/545053215.db2.gz FQUUNQSTLUFHCF-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000659636635 420442099 /nfs/dbraw/zinc/44/20/99/420442099.db2.gz XSZOSVVZDIRMHB-SRVKXCTJSA-N 2 1 272.393 -0.309 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000659641845 420442669 /nfs/dbraw/zinc/44/26/69/420442669.db2.gz ISGLXTULKMZKAT-NWDGAFQWSA-N 2 1 272.393 -0.260 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000659679563 420447903 /nfs/dbraw/zinc/44/79/03/420447903.db2.gz ZLLLFECZEJJACO-DILZAHMFSA-N 2 1 294.399 -0.547 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659685778 420448579 /nfs/dbraw/zinc/44/85/79/420448579.db2.gz VASPLAGCBGKJQM-UHFFFAOYSA-N 2 1 280.372 -0.935 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CCCC1)C1CC1 ZINC000659685219 420448815 /nfs/dbraw/zinc/44/88/15/420448815.db2.gz PFBQWOSTAYFSOD-UHFFFAOYSA-N 2 1 282.388 -0.416 20 0 CBADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000659686541 420449116 /nfs/dbraw/zinc/44/91/16/420449116.db2.gz FYJAOVBWUNBJEK-VTWZXRTESA-N 2 1 292.383 -0.711 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000659688631 420450020 /nfs/dbraw/zinc/45/00/20/420450020.db2.gz DGEOFQLZJBFXAW-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659689799 420450362 /nfs/dbraw/zinc/45/03/62/420450362.db2.gz JBFRWYKZYCABKR-UHFFFAOYSA-N 2 1 295.387 -0.106 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[N@@H+](C)C1CC1 ZINC000659702888 420452599 /nfs/dbraw/zinc/45/25/99/420452599.db2.gz SJCJIFGXHTZGHO-NLTNOIMHSA-N 2 1 294.399 -0.465 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000659705077 420452820 /nfs/dbraw/zinc/45/28/20/420452820.db2.gz SUHSGXZSKIQSDC-LLVKDONJSA-N 2 1 296.415 -0.217 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000659704422 420453218 /nfs/dbraw/zinc/45/32/18/420453218.db2.gz PBYYXJWWQOLTOU-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000659706296 420453238 /nfs/dbraw/zinc/45/32/38/420453238.db2.gz KRSCXAWXWYLFDL-WCQYABFASA-N 2 1 296.415 -0.156 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000659702011 420453389 /nfs/dbraw/zinc/45/33/89/420453389.db2.gz KVNHUGUWGXTXTJ-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000659704606 420453480 /nfs/dbraw/zinc/45/34/80/420453480.db2.gz MKDGBNHDCLWVHQ-RYUDHWBXSA-N 2 1 280.372 -0.935 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000659708822 420453718 /nfs/dbraw/zinc/45/37/18/420453718.db2.gz ABZBRKPVICSRRI-VXGBXAGGSA-N 2 1 296.415 -0.156 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH2+]CC)C1 ZINC000659709213 420454343 /nfs/dbraw/zinc/45/43/43/420454343.db2.gz ADQNIZDHSHWEOO-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000659711720 420455115 /nfs/dbraw/zinc/45/51/15/420455115.db2.gz CQCZFNUCKQCHMI-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000659714645 420456906 /nfs/dbraw/zinc/45/69/06/420456906.db2.gz OBAZNDHXCQZOCA-SECBINFHSA-N 2 1 268.361 -0.937 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000659715955 420457234 /nfs/dbraw/zinc/45/72/34/420457234.db2.gz UBDGNDAYGWXTJD-NEPJUHHUSA-N 2 1 282.388 -0.560 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000659715469 420457279 /nfs/dbraw/zinc/45/72/79/420457279.db2.gz VHVUFHLXSZZKDI-NSHDSACASA-N 2 1 282.388 -0.689 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000659718358 420458266 /nfs/dbraw/zinc/45/82/66/420458266.db2.gz PRVREBXYMASPTD-NWDGAFQWSA-N 2 1 282.388 -0.560 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CCC([NH3+])CC2)C1 ZINC000659716609 420458471 /nfs/dbraw/zinc/45/84/71/420458471.db2.gz XNFUBTWCOLZUFH-BPCQOVAHSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659719469 420458702 /nfs/dbraw/zinc/45/87/02/420458702.db2.gz YMOCJJIVWCTECW-GHMZBOCLSA-N 2 1 284.404 -0.171 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000659720863 420459263 /nfs/dbraw/zinc/45/92/63/420459263.db2.gz FXLNHBOFOKGJOB-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659719471 420459401 /nfs/dbraw/zinc/45/94/01/420459401.db2.gz YMOCJJIVWCTECW-QWRGUYRKSA-N 2 1 284.404 -0.171 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000659725712 420459916 /nfs/dbraw/zinc/45/99/16/420459916.db2.gz YKQJDPLLSKEZBD-NSHDSACASA-N 2 1 282.388 -0.416 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000659725987 420460173 /nfs/dbraw/zinc/46/01/73/420460173.db2.gz GJCXNSSNYOHXFQ-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000659729692 420461198 /nfs/dbraw/zinc/46/11/98/420461198.db2.gz TUMCILMMKIHNCS-UTUOFQBUSA-N 2 1 284.404 -0.171 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH2+]C)C2)C1 ZINC000659738306 420463046 /nfs/dbraw/zinc/46/30/46/420463046.db2.gz DMMIOZPRDLNDDE-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659738482 420463655 /nfs/dbraw/zinc/46/36/55/420463655.db2.gz FDIRRPZRYOLOOH-AVERBVTBSA-N 2 1 294.399 -0.463 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000659738279 420463764 /nfs/dbraw/zinc/46/37/64/420463764.db2.gz DGKIDVFMPMNNHF-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000659738282 420463936 /nfs/dbraw/zinc/46/39/36/420463936.db2.gz DGZVYXTZNWPHJU-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659739237 420464201 /nfs/dbraw/zinc/46/42/01/420464201.db2.gz OKRJTRNHIMGKDB-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000659741000 420464917 /nfs/dbraw/zinc/46/49/17/420464917.db2.gz IOAMJTXUNYNRSD-VXGBXAGGSA-N 2 1 284.404 -0.314 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000659739380 420465021 /nfs/dbraw/zinc/46/50/21/420465021.db2.gz SGCJDVWXSQFTCS-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000659739383 420465266 /nfs/dbraw/zinc/46/52/66/420465266.db2.gz SGCJDVWXSQFTCS-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659749384 420466509 /nfs/dbraw/zinc/46/65/09/420466509.db2.gz HCEJGDNZLJTHHD-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC000660013090 420480034 /nfs/dbraw/zinc/48/00/34/420480034.db2.gz OBJOGRUNXHKEGX-STQMWFEESA-N 2 1 294.399 -0.639 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC000660013090 420480035 /nfs/dbraw/zinc/48/00/35/420480035.db2.gz OBJOGRUNXHKEGX-STQMWFEESA-N 2 1 294.399 -0.639 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC[C@@H]3CCOC3)CCN2C1=O ZINC000521646509 260198635 /nfs/dbraw/zinc/19/86/35/260198635.db2.gz VYAKQBQTBKGTLG-GRYCIOLGSA-N 2 1 253.346 -0.343 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC[C@H]3CCOC3)CCN2C1=O ZINC000521646511 260198716 /nfs/dbraw/zinc/19/87/16/260198716.db2.gz VYAKQBQTBKGTLG-QJPTWQEYSA-N 2 1 253.346 -0.343 20 0 CBADMP C[NH2+]CCC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000517932116 260319964 /nfs/dbraw/zinc/31/99/64/260319964.db2.gz CCLKRCRZORROLI-UHFFFAOYSA-N 2 1 256.394 -0.308 20 0 CBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC(N)=O)CC1 ZINC000525825792 262389608 /nfs/dbraw/zinc/38/96/08/262389608.db2.gz OJESBTXVWDXYTG-UHFFFAOYSA-N 2 1 277.328 -0.353 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000518980928 265273833 /nfs/dbraw/zinc/27/38/33/265273833.db2.gz WSQOOCXWYDBNGD-NEPJUHHUSA-N 2 1 256.394 -0.278 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCC[NH+](C)C)CC1 ZINC000240798448 269582488 /nfs/dbraw/zinc/58/24/88/269582488.db2.gz AZYROPHUJJLIDO-UHFFFAOYSA-N 2 1 256.394 -0.308 20 0 CBADMP C[C@H](CNC(=O)N(C)CCC[NH3+])CN1CC[NH+](C)CC1 ZINC000517042296 269595397 /nfs/dbraw/zinc/59/53/97/269595397.db2.gz QINVJWAHDVPWJM-CYBMUJFWSA-N 2 1 285.436 -0.140 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420088878 276378410 /nfs/dbraw/zinc/37/84/10/276378410.db2.gz ISRVSXMEKVDAJU-NSHDSACASA-N 2 1 282.388 -0.416 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000685562521 545081876 /nfs/dbraw/zinc/08/18/76/545081876.db2.gz RBBROGDYIKBNLC-ARFHVFGLSA-N 2 1 297.443 -0.028 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CC[NH+](C(C)(C)CO)CC1)C1CC1 ZINC000685568226 545081943 /nfs/dbraw/zinc/08/19/43/545081943.db2.gz HGTBIIHHFDNROV-AWEZNQCLSA-N 2 1 285.432 -0.170 20 0 CBADMP Cn1cnc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000685734412 545082666 /nfs/dbraw/zinc/08/26/66/545082666.db2.gz STYQAHDETLKOJI-NSHDSACASA-N 2 1 292.387 -0.287 20 0 CBADMP Cn1cnc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000685734412 545082668 /nfs/dbraw/zinc/08/26/68/545082668.db2.gz STYQAHDETLKOJI-NSHDSACASA-N 2 1 292.387 -0.287 20 0 CBADMP CNC(=O)C[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000361175625 277001128 /nfs/dbraw/zinc/00/11/28/277001128.db2.gz QLBJJBCQLPLBCO-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP CNC(=O)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000338283608 277011838 /nfs/dbraw/zinc/01/18/38/277011838.db2.gz RHAKJNOUXZZSAP-CYBMUJFWSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000419033212 277024149 /nfs/dbraw/zinc/02/41/49/277024149.db2.gz YFEPTQHKKQZHIT-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CC(C)(C)[C@@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186609771 277224440 /nfs/dbraw/zinc/22/44/40/277224440.db2.gz NZENONRXXLTEEW-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)C[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361175637 277232620 /nfs/dbraw/zinc/23/26/20/277232620.db2.gz QLBJJBCQLPLBCO-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP CNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000311800803 277251241 /nfs/dbraw/zinc/25/12/41/277251241.db2.gz ZOLLNMGFXUSHPA-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000311800803 277251242 /nfs/dbraw/zinc/25/12/42/277251242.db2.gz ZOLLNMGFXUSHPA-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000311800803 277251243 /nfs/dbraw/zinc/25/12/43/277251243.db2.gz ZOLLNMGFXUSHPA-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000311800803 277251244 /nfs/dbraw/zinc/25/12/44/277251244.db2.gz ZOLLNMGFXUSHPA-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH2+][C@@H](C)CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000420142839 277292372 /nfs/dbraw/zinc/29/23/72/277292372.db2.gz KVCRIPSIWZMAQU-NWDGAFQWSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+][C@@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000420142839 277292373 /nfs/dbraw/zinc/29/23/73/277292373.db2.gz KVCRIPSIWZMAQU-NWDGAFQWSA-N 2 1 284.404 -0.491 20 0 CBADMP CC(C)([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000430890894 277305897 /nfs/dbraw/zinc/30/58/97/277305897.db2.gz SYEUAAITJONGDR-SECBINFHSA-N 2 1 256.350 -0.820 20 0 CBADMP COC(=O)N1CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000495350863 277333376 /nfs/dbraw/zinc/33/33/76/277333376.db2.gz AIWYLKUXCLMEFN-LLVKDONJSA-N 2 1 259.350 -0.271 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])C1 ZINC000419150216 277390225 /nfs/dbraw/zinc/39/02/25/277390225.db2.gz KYBUXMJTZXKWKP-OLZOCXBDSA-N 2 1 298.431 -0.066 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419882159 277400059 /nfs/dbraw/zinc/40/00/59/277400059.db2.gz LYFXAGFLLHNCIW-LBPRGKRZSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353498879 277965850 /nfs/dbraw/zinc/96/58/50/277965850.db2.gz CVEWSGJEKHEFMJ-UTUOFQBUSA-N 2 1 284.404 -0.327 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361081545 278054210 /nfs/dbraw/zinc/05/42/10/278054210.db2.gz RHURBCBZNVWXFD-BQUFFADESA-N 2 1 267.373 -0.132 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430941928 278138912 /nfs/dbraw/zinc/13/89/12/278138912.db2.gz AGTCZLIYQONDSB-LPWJVIDDSA-N 2 1 296.415 -0.232 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430941928 278138913 /nfs/dbraw/zinc/13/89/13/278138913.db2.gz AGTCZLIYQONDSB-LPWJVIDDSA-N 2 1 296.415 -0.232 20 0 CBADMP C[C@@H](CC(N)=O)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000346061044 278224214 /nfs/dbraw/zinc/22/42/14/278224214.db2.gz FHVFQVZAONJTNA-WDEREUQCSA-N 2 1 270.377 -0.573 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000419582643 278268465 /nfs/dbraw/zinc/26/84/65/278268465.db2.gz JJJFJDLBASNGIL-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000419576806 278268671 /nfs/dbraw/zinc/26/86/71/278268671.db2.gz CKGGVORZRTZWKX-JFGNBEQYSA-N 2 1 282.388 -0.609 20 0 CBADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000347242415 278289504 /nfs/dbraw/zinc/28/95/04/278289504.db2.gz UHEBZEZFTMSQRB-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000347242415 278289506 /nfs/dbraw/zinc/28/95/06/278289506.db2.gz UHEBZEZFTMSQRB-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000347242415 278289508 /nfs/dbraw/zinc/28/95/08/278289508.db2.gz UHEBZEZFTMSQRB-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419959313 278365285 /nfs/dbraw/zinc/36/52/85/278365285.db2.gz XDTMDKWZAITTAA-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000121201333 288076665 /nfs/dbraw/zinc/07/66/65/288076665.db2.gz OLTYLUYJBSTPBI-MNOVXSKESA-N 2 1 263.407 -0.145 20 0 CBADMP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000246504797 279039592 /nfs/dbraw/zinc/03/95/92/279039592.db2.gz QCYDKTCLEVUWCW-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000246504797 279039594 /nfs/dbraw/zinc/03/95/94/279039594.db2.gz QCYDKTCLEVUWCW-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CCC[N@H+]1C ZINC000419543788 279120067 /nfs/dbraw/zinc/12/00/67/279120067.db2.gz GUGZPOGRGQXDEE-LPWJVIDDSA-N 2 1 296.415 -0.171 20 0 CBADMP CC(C)C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000353587487 279177369 /nfs/dbraw/zinc/17/73/69/279177369.db2.gz HCOPUKRDRNQZQZ-RYUDHWBXSA-N 2 1 284.404 -0.184 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351517515 279269303 /nfs/dbraw/zinc/26/93/03/279269303.db2.gz ANKZBBJJYHTVMN-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000331479404 279283610 /nfs/dbraw/zinc/28/36/10/279283610.db2.gz LMSLBZWJNBYZKZ-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000092629664 279299931 /nfs/dbraw/zinc/29/99/31/279299931.db2.gz DOTKTGZSQNLFOX-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH3+])CC1=O ZINC000236831537 279304614 /nfs/dbraw/zinc/30/46/14/279304614.db2.gz PYUHRPCJSCFOCJ-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000343287760 279331733 /nfs/dbraw/zinc/33/17/33/279331733.db2.gz BLBNJUWMLUQRFT-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343287760 279331734 /nfs/dbraw/zinc/33/17/34/279331734.db2.gz BLBNJUWMLUQRFT-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343287760 279331736 /nfs/dbraw/zinc/33/17/36/279331736.db2.gz BLBNJUWMLUQRFT-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000262585030 279392161 /nfs/dbraw/zinc/39/21/61/279392161.db2.gz NXRJKARKVNYDKV-SRVKXCTJSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000262585030 279392164 /nfs/dbraw/zinc/39/21/64/279392164.db2.gz NXRJKARKVNYDKV-SRVKXCTJSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)CC[NH3+])CC2)C1 ZINC000375862987 279393013 /nfs/dbraw/zinc/39/30/13/279393013.db2.gz WKLYHGSUXCEXPQ-ZDUSSCGKSA-N 2 1 284.404 -0.800 20 0 CBADMP CC[N@H+]1CCO[C@H](CN2CCN(C(=O)CC[NH3+])CC2)C1 ZINC000375862987 279393014 /nfs/dbraw/zinc/39/30/14/279393014.db2.gz WKLYHGSUXCEXPQ-ZDUSSCGKSA-N 2 1 284.404 -0.800 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000333138449 288128626 /nfs/dbraw/zinc/12/86/26/288128626.db2.gz CRABTDIBMDSFMG-DGCLKSJQSA-N 2 1 294.399 -0.147 20 0 CBADMP C[C@@H]1C[NH+](CCOCC[N@@H+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000351774908 288180541 /nfs/dbraw/zinc/18/05/41/288180541.db2.gz PHAYFZWVNWIYNU-LVEBTZEWSA-N 2 1 272.389 -0.372 20 0 CBADMP C[C@@H]1C[N@@H+](CCOCC[NH+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000351774908 288180546 /nfs/dbraw/zinc/18/05/46/288180546.db2.gz PHAYFZWVNWIYNU-LVEBTZEWSA-N 2 1 272.389 -0.372 20 0 CBADMP C[C@@H]1C[N@H+](CCOCC[NH+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000351774908 288180550 /nfs/dbraw/zinc/18/05/50/288180550.db2.gz PHAYFZWVNWIYNU-LVEBTZEWSA-N 2 1 272.389 -0.372 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C[N@H+]1C1CC1 ZINC000419324557 280001156 /nfs/dbraw/zinc/00/11/56/280001156.db2.gz VRQAZFBAGZQEMT-QWRGUYRKSA-N 2 1 294.399 -0.275 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423364356 280008685 /nfs/dbraw/zinc/00/86/85/280008685.db2.gz VPZKOGQHHDMEHX-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423364356 280008686 /nfs/dbraw/zinc/00/86/86/280008686.db2.gz VPZKOGQHHDMEHX-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423358492 280009277 /nfs/dbraw/zinc/00/92/77/280009277.db2.gz NNPBVEQDKAEOPS-RYUDHWBXSA-N 2 1 282.388 -0.655 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423358492 280009281 /nfs/dbraw/zinc/00/92/81/280009281.db2.gz NNPBVEQDKAEOPS-RYUDHWBXSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000424198104 280057728 /nfs/dbraw/zinc/05/77/28/280057728.db2.gz IEMZHEAKOOZJLK-MNOVXSKESA-N 2 1 253.346 -0.282 20 0 CBADMP CC[C@@H]1CN(C(=O)COC2C[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000423864334 280350581 /nfs/dbraw/zinc/35/05/81/280350581.db2.gz BQWGWWFPXJHIJV-TZMCWYRMSA-N 2 1 297.399 -0.456 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000246554847 280374008 /nfs/dbraw/zinc/37/40/08/280374008.db2.gz UCPVAFZCKXCHFA-OUCADQQQSA-N 2 1 287.379 -0.008 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000246554847 280374010 /nfs/dbraw/zinc/37/40/10/280374010.db2.gz UCPVAFZCKXCHFA-OUCADQQQSA-N 2 1 287.379 -0.008 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000332234091 288300170 /nfs/dbraw/zinc/30/01/70/288300170.db2.gz NAOXMLQFHYXYFQ-GRYCIOLGSA-N 2 1 280.372 -0.759 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000227455464 288303642 /nfs/dbraw/zinc/30/36/42/288303642.db2.gz YQOCELAMSDVQCB-KKOKHZNYSA-N 2 1 253.346 -0.596 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1([NH3+])CC1 ZINC000237027326 289018724 /nfs/dbraw/zinc/01/87/24/289018724.db2.gz UFJGGCNCAYXMQG-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCC[N@H+]1C ZINC000419540859 289049705 /nfs/dbraw/zinc/04/97/05/289049705.db2.gz CSMVMWOBZNKIRM-GRYCIOLGSA-N 2 1 282.388 -0.547 20 0 CBADMP C[NH+](C)C1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000170928123 289067606 /nfs/dbraw/zinc/06/76/06/289067606.db2.gz QLKYSANAFIBRGK-UHFFFAOYSA-N 2 1 256.350 -0.013 20 0 CBADMP C[C@@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCCC[NH2+]1 ZINC000357811239 289140056 /nfs/dbraw/zinc/14/00/56/289140056.db2.gz TVWUINHQEDFEHD-WFASDCNBSA-N 2 1 296.415 -0.025 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420302072 289242930 /nfs/dbraw/zinc/24/29/30/289242930.db2.gz WEZVVOZKVGIUFR-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](C(=O)N1CCC[N@H+](C)CC1)N1CC[NH+](C)CC1 ZINC000340032814 289269928 /nfs/dbraw/zinc/26/99/28/289269928.db2.gz IHKWYGFKQBUYET-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP C[C@H](C(=O)N1CCC[N@@H+](C)CC1)N1CC[NH+](C)CC1 ZINC000340032814 289269931 /nfs/dbraw/zinc/26/99/31/289269931.db2.gz IHKWYGFKQBUYET-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261616802 289271632 /nfs/dbraw/zinc/27/16/32/289271632.db2.gz CWCIBUQHNQBEQG-LALPHHSUSA-N 2 1 296.415 -0.231 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261616802 289271637 /nfs/dbraw/zinc/27/16/37/289271637.db2.gz CWCIBUQHNQBEQG-LALPHHSUSA-N 2 1 296.415 -0.231 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344031060 289338883 /nfs/dbraw/zinc/33/88/83/289338883.db2.gz OZNLNWWRJLXQNJ-LLVKDONJSA-N 2 1 287.408 -0.615 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000068807368 290035724 /nfs/dbraw/zinc/03/57/24/290035724.db2.gz RULDEYXIYFQIEC-GHMZBOCLSA-N 2 1 256.394 -0.278 20 0 CBADMP CN1CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C(C)(C)C1=O ZINC000414717126 290047014 /nfs/dbraw/zinc/04/70/14/290047014.db2.gz XTJVYBQQJZSCCT-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP COC[C@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000354067630 293118011 /nfs/dbraw/zinc/11/80/11/293118011.db2.gz DKFPILNGGKSADW-QWRGUYRKSA-N 2 1 259.350 -0.955 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCC[NH3+] ZINC000430902933 295227367 /nfs/dbraw/zinc/22/73/67/295227367.db2.gz DCWJFQVLWHGBIQ-JTQLQIEISA-N 2 1 256.350 -0.819 20 0 CBADMP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332173363 295251945 /nfs/dbraw/zinc/25/19/45/295251945.db2.gz UTEXZTNPKKEPQP-QWHCGFSZSA-N 2 1 294.399 -0.367 20 0 CBADMP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332173363 295251946 /nfs/dbraw/zinc/25/19/46/295251946.db2.gz UTEXZTNPKKEPQP-QWHCGFSZSA-N 2 1 294.399 -0.367 20 0 CBADMP NS(=O)(=O)C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261950830 295282593 /nfs/dbraw/zinc/28/25/93/295282593.db2.gz NZTNDMZDKDJXMB-GFCCVEGCSA-N 2 1 275.418 -0.014 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000515073206 295326273 /nfs/dbraw/zinc/32/62/73/295326273.db2.gz NGLPWLZERHLINK-NWDGAFQWSA-N 3 1 252.362 -0.770 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000423299763 295334088 /nfs/dbraw/zinc/33/40/88/295334088.db2.gz CHIVLQMAIRIPTA-LBPRGKRZSA-N 2 1 294.399 -0.367 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]CCCNS(C)(=O)=O)CC[N@H+]1C ZINC000121135178 297283906 /nfs/dbraw/zinc/28/39/06/297283906.db2.gz YPGJLLLGANMWEN-MNOVXSKESA-N 2 1 263.407 -0.002 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C[N@H+]1C1CC1 ZINC000346124556 297267855 /nfs/dbraw/zinc/26/78/55/297267855.db2.gz XPEZNIFTIYESMT-VXGBXAGGSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H](C(N)=O)O1 ZINC000359200720 300254632 /nfs/dbraw/zinc/25/46/32/300254632.db2.gz GXJRCDWQWQJJHN-CMPLNLGQSA-N 2 1 255.362 -0.049 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000040808783 528497749 /nfs/dbraw/zinc/49/77/49/528497749.db2.gz YPGLBAFWWFMESU-GFCCVEGCSA-N 2 1 256.394 -0.277 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000567876063 327928717 /nfs/dbraw/zinc/92/87/17/327928717.db2.gz OBSWRRIVRVIMEI-STQMWFEESA-N 2 1 268.357 -0.095 20 0 CBADMP Cc1nccn1CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563444002 328067084 /nfs/dbraw/zinc/06/70/84/328067084.db2.gz ZYLIKEGNSQOBAZ-OLZOCXBDSA-N 2 1 277.372 -0.175 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000563597508 328076215 /nfs/dbraw/zinc/07/62/15/328076215.db2.gz XSKWOPKYIXYZCX-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000563597508 328076216 /nfs/dbraw/zinc/07/62/16/328076216.db2.gz XSKWOPKYIXYZCX-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000563597508 328076217 /nfs/dbraw/zinc/07/62/17/328076217.db2.gz XSKWOPKYIXYZCX-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000584340473 328127743 /nfs/dbraw/zinc/12/77/43/328127743.db2.gz GEGHIJVUTWKNLL-AAEUAGOBSA-N 2 1 283.420 -0.247 20 0 CBADMP C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000583946456 326804796 /nfs/dbraw/zinc/80/47/96/326804796.db2.gz CLYSCGXHQARYHE-RYUDHWBXSA-N 2 1 270.377 -0.384 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000565655448 326988461 /nfs/dbraw/zinc/98/84/61/326988461.db2.gz ZUJJNPLSGRDDBQ-RYUDHWBXSA-N 2 1 299.419 -0.425 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000568552667 327003028 /nfs/dbraw/zinc/00/30/28/327003028.db2.gz ABGCFOJWSRVYMQ-CQSZACIVSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000557596138 327015169 /nfs/dbraw/zinc/01/51/69/327015169.db2.gz LBAWXWOOWSNMGX-STQMWFEESA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000557596138 327015171 /nfs/dbraw/zinc/01/51/71/327015171.db2.gz LBAWXWOOWSNMGX-STQMWFEESA-N 2 1 268.405 -0.310 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000576953464 327057859 /nfs/dbraw/zinc/05/78/59/327057859.db2.gz NNTXRAHSQSWJND-SNVBAGLBSA-N 2 1 276.331 -0.523 20 0 CBADMP CO[C@@H]1CCN(C(=O)CC(F)(F)C[NH3+])[C@@H](C[NH3+])C1 ZINC000584238936 327094414 /nfs/dbraw/zinc/09/44/14/327094414.db2.gz HSRHDSPRFYUNRU-RKDXNWHRSA-N 2 1 265.304 -0.065 20 0 CBADMP CO[C@@H]1CCN(C(=O)CC(F)(F)C[NH3+])[C@H](C[NH3+])C1 ZINC000584238934 327094399 /nfs/dbraw/zinc/09/43/99/327094399.db2.gz HSRHDSPRFYUNRU-DTWKUNHWSA-N 2 1 265.304 -0.065 20 0 CBADMP C[C@H](C(=O)N[C@](C)(C[NH3+])C1CC1)N1CC[NH+](C)CC1 ZINC000569364714 327165015 /nfs/dbraw/zinc/16/50/15/327165015.db2.gz SMTZIVIAOZSIKR-BXUZGUMPSA-N 2 1 268.405 -0.134 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)C[C@@H]21 ZINC000569474154 327183349 /nfs/dbraw/zinc/18/33/49/327183349.db2.gz YTFKJMJTIBPZEG-NEPJUHHUSA-N 2 1 294.399 -0.641 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000569482936 327184168 /nfs/dbraw/zinc/18/41/68/327184168.db2.gz ADNXLFQBGSMVBE-ZDUSSCGKSA-N 2 1 273.352 -0.085 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](C(=O)NCC[N@H+]2CCCOCC2)O1 ZINC000584290322 327222213 /nfs/dbraw/zinc/22/22/13/327222213.db2.gz TUVQDMPNSNLWMR-NEPJUHHUSA-N 2 1 271.361 -0.669 20 0 CBADMP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000584294252 327224669 /nfs/dbraw/zinc/22/46/69/327224669.db2.gz KSOHRYQZUQZQMX-BFHYXJOUSA-N 2 1 298.431 -0.637 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000566236542 327253859 /nfs/dbraw/zinc/25/38/59/327253859.db2.gz FTTDLRLHWXBDEB-MPPDQPJWSA-N 2 1 296.415 -0.173 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000564969465 327289742 /nfs/dbraw/zinc/28/97/42/327289742.db2.gz XUSUXRPVRRQZHQ-STQMWFEESA-N 3 1 268.405 -0.227 20 0 CBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H](C)N1 ZINC000564969599 327290204 /nfs/dbraw/zinc/29/02/04/327290204.db2.gz VEHYTKCJDCSYDA-UPJWGTAASA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000564978461 327310821 /nfs/dbraw/zinc/31/08/21/327310821.db2.gz DNQVREGHPJCWEI-LOWVWBTDSA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])[N@@H+](C)C1CC1 ZINC000574413093 327330961 /nfs/dbraw/zinc/33/09/61/327330961.db2.gz HMFVQAZEESKRQR-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CNC(N)=O)CC1 ZINC000561503385 327399698 /nfs/dbraw/zinc/39/96/98/327399698.db2.gz CRVOZESTJDZKLZ-UHFFFAOYSA-N 2 1 292.343 -0.560 20 0 CBADMP CC[NH2+]CCCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000562789213 327515410 /nfs/dbraw/zinc/51/54/10/327515410.db2.gz NSFSWSWNCXLKSQ-UHFFFAOYSA-N 2 1 299.419 -0.551 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000569969834 327558923 /nfs/dbraw/zinc/55/89/23/327558923.db2.gz MAXKKPQXUJWYJR-UHFFFAOYSA-N 2 1 288.302 -0.474 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)NCC[N@@H+]1CC=CCC1 ZINC000392870868 329059688 /nfs/dbraw/zinc/05/96/88/329059688.db2.gz YNBBGQCKWNCFFG-LBPRGKRZSA-N 2 1 253.346 -0.257 20 0 CBADMP COC[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000582541872 329109104 /nfs/dbraw/zinc/10/91/04/329109104.db2.gz RARVEHNJWUFEQT-NWDGAFQWSA-N 2 1 273.377 -0.829 20 0 CBADMP 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 329129617 /nfs/dbraw/zinc/12/96/17/329129617.db2.gz RGSABBIIHNKLOR-PRULPYPASA-N 2 1 294.399 -0.467 20 0 CBADMP Cn1cc(C[N@@H+](C)C2CC([NH3+])C2)c(=O)n(C)c1=O ZINC000582965822 329294884 /nfs/dbraw/zinc/29/48/84/329294884.db2.gz XSRWIVAXHKGONH-UHFFFAOYSA-N 2 1 252.318 -0.995 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)C[C@@H]21 ZINC000583084309 329311934 /nfs/dbraw/zinc/31/19/34/329311934.db2.gz LXOPWGPBSRQXJH-HZSPNIEDSA-N 3 1 252.406 -0.049 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CCSC[C@H]1CCO ZINC000583211768 329368073 /nfs/dbraw/zinc/36/80/73/329368073.db2.gz GCBIJTDGRCXREW-CHWSQXEVSA-N 2 1 292.445 -0.275 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CCSC[C@@H]1CCO ZINC000583211868 329368131 /nfs/dbraw/zinc/36/81/31/329368131.db2.gz GCBIJTDGRCXREW-QWHCGFSZSA-N 2 1 292.445 -0.275 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](CCCN2CCOCC2)CCCO1 ZINC000572410380 330064409 /nfs/dbraw/zinc/06/44/09/330064409.db2.gz YHCNWGMBXUNHJO-ZDUSSCGKSA-N 2 1 257.378 -0.242 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(CC2(CO)COC2)CC1 ZINC000162635162 330090358 /nfs/dbraw/zinc/09/03/58/330090358.db2.gz FCPGFHVWBSVATF-ZDUSSCGKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000576120808 335157375 /nfs/dbraw/zinc/15/73/75/335157375.db2.gz QLBSQKYZFYHCFO-CQSZACIVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000576120808 335157377 /nfs/dbraw/zinc/15/73/77/335157377.db2.gz QLBSQKYZFYHCFO-CQSZACIVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000576120808 335157378 /nfs/dbraw/zinc/15/73/78/335157378.db2.gz QLBSQKYZFYHCFO-CQSZACIVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC000576156810 335161579 /nfs/dbraw/zinc/16/15/79/335161579.db2.gz KJRNWAJXVFFSJM-JHJVBQTASA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC000576156809 335161626 /nfs/dbraw/zinc/16/16/26/335161626.db2.gz KJRNWAJXVFFSJM-FRRDWIJNSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729846 335165322 /nfs/dbraw/zinc/16/53/22/335165322.db2.gz RGASLPNTBIKNEB-GFCCVEGCSA-N 2 1 256.394 -0.180 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000564326009 334103792 /nfs/dbraw/zinc/10/37/92/334103792.db2.gz DDLFWPSAWAYWRW-NSHDSACASA-N 2 1 255.362 -0.048 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+](C)CCNC(=O)N(C)C ZINC000564344728 334148208 /nfs/dbraw/zinc/14/82/08/334148208.db2.gz VUWQLROSNZGPKI-LBPRGKRZSA-N 2 1 290.408 -0.872 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000564344728 334148210 /nfs/dbraw/zinc/14/82/10/334148210.db2.gz VUWQLROSNZGPKI-LBPRGKRZSA-N 2 1 290.408 -0.872 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)CC[C@H]21 ZINC000567573505 334359860 /nfs/dbraw/zinc/35/98/60/334359860.db2.gz ILHJUACESYKJNS-CMPLNLGQSA-N 2 1 280.372 -0.983 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000566007801 334615390 /nfs/dbraw/zinc/61/53/90/334615390.db2.gz SOMSIZOORIGMIB-GHMZBOCLSA-N 2 1 287.360 -0.944 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)c1cnn(C)c1 ZINC000567842186 334767264 /nfs/dbraw/zinc/76/72/64/334767264.db2.gz CJUGOZLAABJYJD-YUSALJHKSA-N 2 1 265.361 -0.063 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000576588346 335223309 /nfs/dbraw/zinc/22/33/09/335223309.db2.gz QTRCMAOHDWQBBF-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@@H]3CCCC[C@H]3O)CCN2C1=O ZINC000576837238 335254361 /nfs/dbraw/zinc/25/43/61/335254361.db2.gz GJDBXUMZQZFLDQ-UMSGYPCISA-N 2 1 267.373 -0.219 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000576999366 335275964 /nfs/dbraw/zinc/27/59/64/335275964.db2.gz WDCSSRUBPVJAHR-MFKMUULPSA-N 2 1 297.359 -0.718 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000576999366 335275965 /nfs/dbraw/zinc/27/59/65/335275965.db2.gz WDCSSRUBPVJAHR-MFKMUULPSA-N 2 1 297.359 -0.718 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000577062361 335293564 /nfs/dbraw/zinc/29/35/64/335293564.db2.gz HOAIRPAMXMIYFR-NSHDSACASA-N 2 1 271.361 -0.274 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000577270577 335332493 /nfs/dbraw/zinc/33/24/93/335332493.db2.gz NEFKJEMIQRAJBL-WXHSDQCUSA-N 2 1 294.399 -0.465 20 0 CBADMP C[N@@H+](C[C@@H](O)CNCCC[NH+]1CCC(O)CC1)C1CC1 ZINC000577493174 335358837 /nfs/dbraw/zinc/35/88/37/335358837.db2.gz WIZXFAHCGPLDQX-HNNXBMFYSA-N 2 1 285.432 -0.122 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000577509066 335362347 /nfs/dbraw/zinc/36/23/47/335362347.db2.gz OUASWFUUSNDLET-UHFFFAOYSA-N 2 1 282.388 -0.438 20 0 CBADMP C[N@@H+](CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000577509712 335362512 /nfs/dbraw/zinc/36/25/12/335362512.db2.gz UDBBQGRPVCLKCV-NEPJUHHUSA-N 2 1 295.387 -0.966 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000577628358 335382117 /nfs/dbraw/zinc/38/21/17/335382117.db2.gz ZKPZSTHRDXTQMZ-YHWZYXNKSA-N 2 1 296.415 -0.075 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000577634692 335383365 /nfs/dbraw/zinc/38/33/65/335383365.db2.gz ZSYKVAFNHLOUFG-UWVGGRQHSA-N 2 1 257.334 -0.665 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000577634692 335383366 /nfs/dbraw/zinc/38/33/66/335383366.db2.gz ZSYKVAFNHLOUFG-UWVGGRQHSA-N 2 1 257.334 -0.665 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000577751863 335397620 /nfs/dbraw/zinc/39/76/20/335397620.db2.gz VKNYVKXDSKFLFL-NWDGAFQWSA-N 2 1 254.330 -0.404 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@@H]1[NH3+] ZINC000579109844 335710144 /nfs/dbraw/zinc/71/01/44/335710144.db2.gz RBEKXRRXEOJBCD-AAEUAGOBSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000581074232 336004634 /nfs/dbraw/zinc/00/46/34/336004634.db2.gz NHIQHJGIIADOPJ-NWDGAFQWSA-N 2 1 254.378 -0.510 20 0 CBADMP CC[NH+]1CCN(C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000381167597 336053241 /nfs/dbraw/zinc/05/32/41/336053241.db2.gz ASSFKCDGFHPQAE-CYBMUJFWSA-N 2 1 259.394 -0.437 20 0 CBADMP Cc1noc(CC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)n1 ZINC000381187252 336054048 /nfs/dbraw/zinc/05/40/48/336054048.db2.gz VLTGOIXKHJAUTL-NSHDSACASA-N 2 1 254.334 -0.035 20 0 CBADMP Cc1noc(CC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)n1 ZINC000381187252 336054050 /nfs/dbraw/zinc/05/40/50/336054050.db2.gz VLTGOIXKHJAUTL-NSHDSACASA-N 2 1 254.334 -0.035 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000381261309 336057377 /nfs/dbraw/zinc/05/73/77/336057377.db2.gz PHCDJVKEZQCILW-YNEHKIRRSA-N 2 1 260.378 -0.060 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000381261309 336057378 /nfs/dbraw/zinc/05/73/78/336057378.db2.gz PHCDJVKEZQCILW-YNEHKIRRSA-N 2 1 260.378 -0.060 20 0 CBADMP COC(=O)CC[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000581370579 336063037 /nfs/dbraw/zinc/06/30/37/336063037.db2.gz DEDCEXGFXWCZLO-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000581370979 336063210 /nfs/dbraw/zinc/06/32/10/336063210.db2.gz JVJYXNPWQOYNLG-SRVKXCTJSA-N 2 1 277.372 -0.109 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000581478892 336086343 /nfs/dbraw/zinc/08/63/43/336086343.db2.gz WSDKYGQYYLKPTL-NWDGAFQWSA-N 2 1 296.415 -0.156 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@H]([NH3+])C1CC1)c1cnn(C)c1 ZINC000581488084 336088130 /nfs/dbraw/zinc/08/81/30/336088130.db2.gz LIVMIPJPZDFUQS-WDEREUQCSA-N 2 1 251.334 -0.466 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)NCCC[NH+]1CCOCC1 ZINC000382956785 336099308 /nfs/dbraw/zinc/09/93/08/336099308.db2.gz NDXUIKAFQJOQIU-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP CS(=O)(=O)NCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000581608498 336111664 /nfs/dbraw/zinc/11/16/64/336111664.db2.gz OWBSSZHIMQGYAL-RYUDHWBXSA-N 2 1 275.418 -0.143 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000384754218 336130390 /nfs/dbraw/zinc/13/03/90/336130390.db2.gz QNIZBHXYAJTWLA-CHWSQXEVSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000581941561 336173366 /nfs/dbraw/zinc/17/33/66/336173366.db2.gz QVLMMZAENITPPY-JQWIXIFHSA-N 2 1 282.388 -0.417 20 0 CBADMP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC000581998023 336187767 /nfs/dbraw/zinc/18/77/67/336187767.db2.gz PLJUPRHRPXTCTR-CVEARBPZSA-N 2 1 298.475 -0.084 20 0 CBADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC000581998023 336187768 /nfs/dbraw/zinc/18/77/68/336187768.db2.gz PLJUPRHRPXTCTR-CVEARBPZSA-N 2 1 298.475 -0.084 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])N1CC[NH+](C)CC1 ZINC000050464554 519794736 /nfs/dbraw/zinc/79/47/36/519794736.db2.gz XTCXLRYDVMFAGN-FRRDWIJNSA-N 2 1 268.405 -0.278 20 0 CBADMP CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221171349 519812289 /nfs/dbraw/zinc/81/22/89/519812289.db2.gz RKPRQKUQWFKUTE-QWHCGFSZSA-N 2 1 298.431 -0.066 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])N1CC[NH+](C)CC1 ZINC000050464556 519815724 /nfs/dbraw/zinc/81/57/24/519815724.db2.gz XTCXLRYDVMFAGN-AGIUHOORSA-N 2 1 268.405 -0.278 20 0 CBADMP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221169549 523971136 /nfs/dbraw/zinc/97/11/36/523971136.db2.gz NEHCTNOJJOKYBD-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221176312 524161266 /nfs/dbraw/zinc/16/12/66/524161266.db2.gz SRHYEMINTYZBQQ-WDEREUQCSA-N 2 1 282.388 -0.560 20 0 CBADMP CC(=O)NCCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000354905244 526734806 /nfs/dbraw/zinc/73/48/06/526734806.db2.gz LIFJMQOPIQJFJU-UHFFFAOYSA-N 2 1 299.415 -0.328 20 0 CBADMP CC[N@@H+](CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000377525393 527898653 /nfs/dbraw/zinc/89/86/53/527898653.db2.gz PECDMRKMEZSQIS-CQSZACIVSA-N 2 1 280.416 -0.023 20 0 CBADMP CCc1nc(CN2CC[NH+](CCOCC[NH3+])CC2)no1 ZINC000357094005 536135478 /nfs/dbraw/zinc/13/54/78/536135478.db2.gz XOBONIGPGHXYIU-UHFFFAOYSA-N 2 1 283.376 -0.275 20 0 CBADMP CC[C@H]1CN(CCOCC[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000357077967 536150935 /nfs/dbraw/zinc/15/09/35/536150935.db2.gz JOPUVZVYDIVBGN-OLZOCXBDSA-N 2 1 259.394 -0.261 20 0 CBADMP CC[C@H]1C[N@H+](CCOCC[NH3+])CCN1C[C@@H](C)O ZINC000357077967 536150940 /nfs/dbraw/zinc/15/09/40/536150940.db2.gz JOPUVZVYDIVBGN-OLZOCXBDSA-N 2 1 259.394 -0.261 20 0 CBADMP CC[C@H]1C[N@@H+](CCOCC[NH3+])CCN1C[C@@H](C)O ZINC000357077967 536150941 /nfs/dbraw/zinc/15/09/41/536150941.db2.gz JOPUVZVYDIVBGN-OLZOCXBDSA-N 2 1 259.394 -0.261 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@@H]1CC[N@H+](CCOC)C1)c1cnn(C)c1 ZINC000357236239 536337029 /nfs/dbraw/zinc/33/70/29/536337029.db2.gz DUWBWUNHXYOYSQ-CHWSQXEVSA-N 2 1 295.387 -0.483 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@@H]1CC[N@@H+](CCOC)C1)c1cnn(C)c1 ZINC000357236239 536337031 /nfs/dbraw/zinc/33/70/31/536337031.db2.gz DUWBWUNHXYOYSQ-CHWSQXEVSA-N 2 1 295.387 -0.483 20 0 CBADMP CCNS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222009804 582128694 /nfs/dbraw/zinc/12/86/94/582128694.db2.gz VMAJYUDLNBBZEL-QWRGUYRKSA-N 2 1 263.407 -0.002 20 0 CBADMP CCNS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222009804 582128695 /nfs/dbraw/zinc/12/86/95/582128695.db2.gz VMAJYUDLNBBZEL-QWRGUYRKSA-N 2 1 263.407 -0.002 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000225336514 582129344 /nfs/dbraw/zinc/12/93/44/582129344.db2.gz YSGBRRRCNODYAZ-UONOGXRCSA-N 2 1 270.421 -0.722 20 0 CBADMP COCC[N@@H+](C)CCNC(=S)NCCC[NH+](C)C ZINC000726907398 582139447 /nfs/dbraw/zinc/13/94/47/582139447.db2.gz IYARUJUIVSCVRL-UHFFFAOYSA-N 2 1 276.450 -0.020 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000731879316 582155034 /nfs/dbraw/zinc/15/50/34/582155034.db2.gz WVBNHVJMXYXMGB-UONOGXRCSA-N 2 1 296.415 -0.787 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000731879316 582155035 /nfs/dbraw/zinc/15/50/35/582155035.db2.gz WVBNHVJMXYXMGB-UONOGXRCSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCC[N@H+](C)[C@H](C)C(N)=O ZINC000735672373 582187346 /nfs/dbraw/zinc/18/73/46/582187346.db2.gz PETZVIUIXWLHPV-NXEZZACHSA-N 2 1 258.366 -0.622 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000736219649 582200816 /nfs/dbraw/zinc/20/08/16/582200816.db2.gz AHSXICPVHWSLLR-KGLIPLIRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000736219649 582200817 /nfs/dbraw/zinc/20/08/17/582200817.db2.gz AHSXICPVHWSLLR-KGLIPLIRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000746112526 582283513 /nfs/dbraw/zinc/28/35/13/582283513.db2.gz NENHNUBPMPOQDO-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP CNC(=O)[C@H](C)C[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000749114994 582289235 /nfs/dbraw/zinc/28/92/35/582289235.db2.gz FFPXQTXQSBAYBH-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000749114994 582289236 /nfs/dbraw/zinc/28/92/36/582289236.db2.gz FFPXQTXQSBAYBH-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP O=C(NCC[NH+]1CCC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000752666709 582295440 /nfs/dbraw/zinc/29/54/40/582295440.db2.gz IWDMVSYMUOSEII-CHWSQXEVSA-N 2 1 282.388 -0.146 20 0 CBADMP CNC(=O)CCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000753208480 582296509 /nfs/dbraw/zinc/29/65/09/582296509.db2.gz UMDXZMKHOOVJOS-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(OCC(N)=O)cc2)C1 ZINC000762556231 582317697 /nfs/dbraw/zinc/31/76/97/582317697.db2.gz KYKMXPCHRSEDIF-HNNXBMFYSA-N 2 1 293.367 -0.293 20 0 CBADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(OCC(N)=O)cc2)C1 ZINC000762556231 582317698 /nfs/dbraw/zinc/31/76/98/582317698.db2.gz KYKMXPCHRSEDIF-HNNXBMFYSA-N 2 1 293.367 -0.293 20 0 CBADMP CC[N@@H+](CCO)CCNC(=S)NC1CC[NH+](C)CC1 ZINC000768784101 582334676 /nfs/dbraw/zinc/33/46/76/582334676.db2.gz HNKPTVDBTCVMEE-UHFFFAOYSA-N 2 1 288.461 -0.141 20 0 CBADMP O[C@H](CN1CC[NH+]([C@@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000773480334 582347668 /nfs/dbraw/zinc/34/76/68/582347668.db2.gz ILMWUTGALBXMFR-CABCVRRESA-N 2 1 283.416 -0.150 20 0 CBADMP C[N@H+](CCO)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000778400032 582358640 /nfs/dbraw/zinc/35/86/40/582358640.db2.gz SUIUZXMZLRKLRS-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@@H+](CCO)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000778400032 582358641 /nfs/dbraw/zinc/35/86/41/582358641.db2.gz SUIUZXMZLRKLRS-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CC[N@H+]1CCO ZINC000778350770 582358643 /nfs/dbraw/zinc/35/86/43/582358643.db2.gz ITYGIBQIYFUTRX-KGLIPLIRSA-N 2 1 271.405 -0.559 20 0 CBADMP C[C@@H](CCO)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000779403374 582361062 /nfs/dbraw/zinc/36/10/62/582361062.db2.gz HACPOJSZBDWMPP-KBPBESRZSA-N 2 1 271.405 -0.247 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000783919016 582373044 /nfs/dbraw/zinc/37/30/44/582373044.db2.gz WSHLJMNXNLEOMV-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@H]1CCC[NH+]1CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000783919016 582373045 /nfs/dbraw/zinc/37/30/45/582373045.db2.gz WSHLJMNXNLEOMV-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@H]1CCC[NH+]1CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000783919016 582373046 /nfs/dbraw/zinc/37/30/46/582373046.db2.gz WSHLJMNXNLEOMV-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000783919015 582373056 /nfs/dbraw/zinc/37/30/56/582373056.db2.gz WSHLJMNXNLEOMV-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@@H]1CCC[NH+]1CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000783919015 582373057 /nfs/dbraw/zinc/37/30/57/582373057.db2.gz WSHLJMNXNLEOMV-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@@H]1CCC[NH+]1CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000783919015 582373058 /nfs/dbraw/zinc/37/30/58/582373058.db2.gz WSHLJMNXNLEOMV-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCC(=O)NC1=O ZINC000788021530 582384020 /nfs/dbraw/zinc/38/40/20/582384020.db2.gz PYZRNKOJSYHKBT-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000788480039 582386234 /nfs/dbraw/zinc/38/62/34/582386234.db2.gz GNTVKGFUKSHSAC-GFCCVEGCSA-N 2 1 275.418 -0.048 20 0 CBADMP O=C1NC(=O)[C@@]2(CCC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)N1 ZINC000789377353 582388372 /nfs/dbraw/zinc/38/83/72/582388372.db2.gz HXGVMOUAMYMWQR-RISCZKNCSA-N 2 1 296.371 -0.883 20 0 CBADMP O=C1NC(=O)[C@@]2(CCC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)N1 ZINC000789377353 582388373 /nfs/dbraw/zinc/38/83/73/582388373.db2.gz HXGVMOUAMYMWQR-RISCZKNCSA-N 2 1 296.371 -0.883 20 0 CBADMP COC(=O)[C@H]1[C@@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C[C@@H]21 ZINC000794954629 582407365 /nfs/dbraw/zinc/40/73/65/582407365.db2.gz XKFMNPVBYSFHAK-IMRBUKKESA-N 2 1 295.383 -0.499 20 0 CBADMP COC(=O)[C@H]1[C@@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)C[C@@H]21 ZINC000794954629 582407366 /nfs/dbraw/zinc/40/73/66/582407366.db2.gz XKFMNPVBYSFHAK-IMRBUKKESA-N 2 1 295.383 -0.499 20 0 CBADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000796581448 582412035 /nfs/dbraw/zinc/41/20/35/582412035.db2.gz QGSCYFFHHIPUPY-DGCLKSJQSA-N 2 1 255.362 -0.360 20 0 CBADMP O=C1N[C@H]2CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C[C@@H]2CO1 ZINC000799180174 582419369 /nfs/dbraw/zinc/41/93/69/582419369.db2.gz QCHXVJXQZWRBHS-UPJWGTAASA-N 2 1 283.372 -0.127 20 0 CBADMP O=C1N[C@H]2CC[N@H+](C[C@H](O)C[NH+]3CCCC3)C[C@@H]2CO1 ZINC000799180174 582419370 /nfs/dbraw/zinc/41/93/70/582419370.db2.gz QCHXVJXQZWRBHS-UPJWGTAASA-N 2 1 283.372 -0.127 20 0 CBADMP Cn1ncc(C[NH2+]CCN2CCC([NH+](C)C)CC2)n1 ZINC000815128830 582460906 /nfs/dbraw/zinc/46/09/06/582460906.db2.gz OFKDXGTYCRIVLQ-UHFFFAOYSA-N 2 1 266.393 -0.069 20 0 CBADMP C[N@@H+]1C[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC000816949647 582486968 /nfs/dbraw/zinc/48/69/68/582486968.db2.gz BBYOSTRGPGCWKC-OLZOCXBDSA-N 2 1 267.373 -0.129 20 0 CBADMP C[N@H+]1C[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC000816949647 582486970 /nfs/dbraw/zinc/48/69/70/582486970.db2.gz BBYOSTRGPGCWKC-OLZOCXBDSA-N 2 1 267.373 -0.129 20 0 CBADMP CC[C@@H](CO)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000821103127 582593205 /nfs/dbraw/zinc/59/32/05/582593205.db2.gz ZJSJIXVTUZSTON-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP CC(C)(CO)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000821354819 582600714 /nfs/dbraw/zinc/60/07/14/582600714.db2.gz OOVAPAFKAXPMMK-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP CN1C(=O)NCC12CC[NH+](C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000823656026 582676509 /nfs/dbraw/zinc/67/65/09/582676509.db2.gz XETBNKWZZONAQO-CYBMUJFWSA-N 2 1 296.415 -0.067 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)COC1CC[NH+](C)CC1 ZINC000825526520 582738895 /nfs/dbraw/zinc/73/88/95/582738895.db2.gz IKZFCEPTEUZWOM-UHFFFAOYSA-N 2 1 287.404 -0.520 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000827577199 582824676 /nfs/dbraw/zinc/82/46/76/582824676.db2.gz FKWMBRRZKGERKP-OCCSQVGLSA-N 2 1 285.388 -0.674 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000827577199 582824679 /nfs/dbraw/zinc/82/46/79/582824679.db2.gz FKWMBRRZKGERKP-OCCSQVGLSA-N 2 1 285.388 -0.674 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000828956271 582878261 /nfs/dbraw/zinc/87/82/61/582878261.db2.gz LFLQEMUKESXJKC-NEPJUHHUSA-N 2 1 255.362 -0.049 20 0 CBADMP CC1(C(N)=O)C[NH+](C/C=C/C[NH+]2CC(C)(C(N)=O)C2)C1 ZINC000829069564 582882174 /nfs/dbraw/zinc/88/21/74/582882174.db2.gz CFPIGUHVMDHYGN-ONEGZZNKSA-N 2 1 280.372 -0.843 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000829287017 582884866 /nfs/dbraw/zinc/88/48/66/582884866.db2.gz NOKYWPLWKSOWSK-CMPLNLGQSA-N 2 1 258.341 -0.950 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)CC2)C1 ZINC000829716117 582896006 /nfs/dbraw/zinc/89/60/06/582896006.db2.gz VQESVUOEVMMDIB-UKRRQHHQSA-N 2 1 298.406 -0.074 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)COC1CC[NH+](C)CC1 ZINC000829750249 582897825 /nfs/dbraw/zinc/89/78/25/582897825.db2.gz QFSMSNWFKQGUQW-UHFFFAOYSA-N 2 1 273.377 -0.863 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000830240016 582927546 /nfs/dbraw/zinc/92/75/46/582927546.db2.gz FVPATBZCZQHMCN-AWEZNQCLSA-N 2 1 286.395 -0.216 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000830240017 582927610 /nfs/dbraw/zinc/92/76/10/582927610.db2.gz FVPATBZCZQHMCN-CQSZACIVSA-N 2 1 286.395 -0.216 20 0 CBADMP CCO[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C[NH+](C)C ZINC000831737119 582999789 /nfs/dbraw/zinc/99/97/89/582999789.db2.gz CPYCBASAEAFCAE-KGLIPLIRSA-N 2 1 298.431 -0.541 20 0 CBADMP CCO[C@@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C[NH+](C)C ZINC000831737120 582999816 /nfs/dbraw/zinc/99/98/16/582999816.db2.gz CPYCBASAEAFCAE-UONOGXRCSA-N 2 1 298.431 -0.541 20 0 CBADMP CCO[C@@H](CNC(=O)CN1CC[NH+](C)CC1)C[NH+](C)C ZINC000831745693 583000640 /nfs/dbraw/zinc/00/06/40/583000640.db2.gz VDRDDEJPZYJEIP-ZDUSSCGKSA-N 2 1 286.420 -0.683 20 0 CBADMP CCO[C@@H](CNC(=O)CC[NH+]1CCOCC1)C[NH+](C)C ZINC000831751603 583001226 /nfs/dbraw/zinc/00/12/26/583001226.db2.gz NWFKUARPGVQXPY-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP [NH3+][C@@H](CC(=O)NCC[N@H+]1CCCOCC1)C1CC1 ZINC000832002585 583010079 /nfs/dbraw/zinc/01/00/79/583010079.db2.gz PUYXZMCANCHBRX-LBPRGKRZSA-N 2 1 255.362 -0.048 20 0 CBADMP [NH3+][C@@H](CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000834536586 583130566 /nfs/dbraw/zinc/13/05/66/583130566.db2.gz IIEPKYPOMQJRFQ-STQMWFEESA-N 2 1 294.399 -0.463 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841790823 583174341 /nfs/dbraw/zinc/17/43/41/583174341.db2.gz KSGOXHPYIKRGJG-RWMBFGLXSA-N 2 1 282.388 -0.099 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@H]1CCC[NH2+]C1 ZINC000841790759 583174458 /nfs/dbraw/zinc/17/44/58/583174458.db2.gz JDIBMNFFJJBZMD-RWMBFGLXSA-N 2 1 282.388 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)[NH3+])C(C)C ZINC000842229057 583181805 /nfs/dbraw/zinc/18/18/05/583181805.db2.gz HQIQHNIUQDILBF-SNVBAGLBSA-N 2 1 258.366 -0.704 20 0 CBADMP CON(C)C(=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000843061808 583199124 /nfs/dbraw/zinc/19/91/24/583199124.db2.gz IKVJSTGNTKSPIA-GFCCVEGCSA-N 2 1 273.377 -0.167 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCCCNC1=O ZINC000843358813 583212605 /nfs/dbraw/zinc/21/26/05/583212605.db2.gz RTDXQQLNMADYNJ-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843461431 583222614 /nfs/dbraw/zinc/22/26/14/583222614.db2.gz QLZUGVCGKGTUJS-QMMMGPOBSA-N 2 1 251.277 -0.535 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844181279 583258427 /nfs/dbraw/zinc/25/84/27/583258427.db2.gz WYNYVKGFQBZHGF-OBPIAQAESA-N 2 1 265.357 -0.569 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844182604 583259022 /nfs/dbraw/zinc/25/90/22/583259022.db2.gz UGDLCASCYRUUJQ-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP CC[NH2+]CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000844187186 583259562 /nfs/dbraw/zinc/25/95/62/583259562.db2.gz GEBRPLQATOWPAA-ZDUSSCGKSA-N 2 1 284.404 -0.881 20 0 CBADMP CC[NH2+]CC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000844192052 583259882 /nfs/dbraw/zinc/25/98/82/583259882.db2.gz GCCPDABEBRGREL-GFCCVEGCSA-N 2 1 256.394 -0.404 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846674477 583382192 /nfs/dbraw/zinc/38/21/92/583382192.db2.gz YZBMLYSFEJYXCR-XPCVCDNBSA-N 2 1 295.383 -0.798 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000846678658 583382621 /nfs/dbraw/zinc/38/26/21/583382621.db2.gz NBTVQWQYHBQFKA-BDAKNGLRSA-N 2 1 264.320 -0.669 20 0 CBADMP C[C@@H]1CN(C(=[NH2+])NCCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000848986335 583464637 /nfs/dbraw/zinc/46/46/37/583464637.db2.gz DOTDDRSTTXPEFW-GFCCVEGCSA-N 2 1 297.403 -0.604 20 0 CBADMP CN1CCC[NH+]=C1NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000849000233 583465888 /nfs/dbraw/zinc/46/58/88/583465888.db2.gz KGRBVHBCZDWWQI-LBPRGKRZSA-N 2 1 281.404 -0.145 20 0 CBADMP COCCNC(=[NH2+])NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000848999346 583466034 /nfs/dbraw/zinc/46/60/34/583466034.db2.gz XSFMLFYENHXHDZ-NSHDSACASA-N 2 1 285.392 -0.666 20 0 CBADMP CCOCCCNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000849007977 583467315 /nfs/dbraw/zinc/46/73/15/583467315.db2.gz JRAFIHMFPCQIGL-GFCCVEGCSA-N 2 1 271.409 -0.227 20 0 CBADMP COC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000849008022 583467406 /nfs/dbraw/zinc/46/74/06/583467406.db2.gz MACVIOVGMKKKBJ-MNOVXSKESA-N 2 1 257.382 -0.619 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[NH+](C)CCN1C ZINC000849008015 583467423 /nfs/dbraw/zinc/46/74/23/583467423.db2.gz LRJZGMOZWLQRMF-ZIAGYGMSSA-N 3 1 296.463 -0.170 20 0 CBADMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C ZINC000849008015 583467427 /nfs/dbraw/zinc/46/74/27/583467427.db2.gz LRJZGMOZWLQRMF-ZIAGYGMSSA-N 3 1 296.463 -0.170 20 0 CBADMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000849008015 583467430 /nfs/dbraw/zinc/46/74/30/583467430.db2.gz LRJZGMOZWLQRMF-ZIAGYGMSSA-N 3 1 296.463 -0.170 20 0 CBADMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CN(C)CCN1C ZINC000849008015 583467434 /nfs/dbraw/zinc/46/74/34/583467434.db2.gz LRJZGMOZWLQRMF-ZIAGYGMSSA-N 2 1 296.463 -0.170 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CN(C)CCN1C ZINC000849008015 583467438 /nfs/dbraw/zinc/46/74/38/583467438.db2.gz LRJZGMOZWLQRMF-ZIAGYGMSSA-N 2 1 296.463 -0.170 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[NH+](C)CCN1C ZINC000849008014 583467477 /nfs/dbraw/zinc/46/74/77/583467477.db2.gz LRJZGMOZWLQRMF-UONOGXRCSA-N 3 1 296.463 -0.170 20 0 CBADMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C ZINC000849008014 583467482 /nfs/dbraw/zinc/46/74/82/583467482.db2.gz LRJZGMOZWLQRMF-UONOGXRCSA-N 3 1 296.463 -0.170 20 0 CBADMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000849008014 583467485 /nfs/dbraw/zinc/46/74/85/583467485.db2.gz LRJZGMOZWLQRMF-UONOGXRCSA-N 3 1 296.463 -0.170 20 0 CBADMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CN(C)CCN1C ZINC000849008014 583467490 /nfs/dbraw/zinc/46/74/90/583467490.db2.gz LRJZGMOZWLQRMF-UONOGXRCSA-N 2 1 296.463 -0.170 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CN(C)CCN1C ZINC000849008014 583467494 /nfs/dbraw/zinc/46/74/94/583467494.db2.gz LRJZGMOZWLQRMF-UONOGXRCSA-N 2 1 296.463 -0.170 20 0 CBADMP COCCNC(=[NH2+])NCCC[N@H+](C)CCN(C)C ZINC000849028283 583469570 /nfs/dbraw/zinc/46/95/70/583469570.db2.gz OOAYRXWQCDSLJR-UHFFFAOYSA-N 2 1 259.398 -0.370 20 0 CBADMP COCCNC(=[NH2+])NCCC[N@@H+](C)CCN(C)C ZINC000849028283 583469573 /nfs/dbraw/zinc/46/95/73/583469573.db2.gz OOAYRXWQCDSLJR-UHFFFAOYSA-N 2 1 259.398 -0.370 20 0 CBADMP C[C@]1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCC(=O)N1 ZINC000849039325 583470597 /nfs/dbraw/zinc/47/05/97/583470597.db2.gz SHLYPKURUHERLU-CQSZACIVSA-N 2 1 297.403 -0.509 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)Cn1ccnn1 ZINC000849041098 583471019 /nfs/dbraw/zinc/47/10/19/583471019.db2.gz KCOHRHVVZKFSDW-VXGBXAGGSA-N 2 1 295.391 -0.763 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCCNC1=O ZINC000849040865 583471066 /nfs/dbraw/zinc/47/10/66/583471066.db2.gz DVXGWVYIBMLTJC-GFCCVEGCSA-N 2 1 297.403 -0.651 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CNC(=O)C1 ZINC000849041473 583471357 /nfs/dbraw/zinc/47/13/57/583471357.db2.gz GMXSGOBONMJEEO-MNOVXSKESA-N 2 1 267.377 -0.279 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000851656433 583518270 /nfs/dbraw/zinc/51/82/70/583518270.db2.gz LCTUZZQFZVWCTC-QJPTWQEYSA-N 2 1 270.377 -0.243 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000851690495 583522252 /nfs/dbraw/zinc/52/22/52/583522252.db2.gz DIIGWCSVBSDQGS-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP O[C@H](CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)C[NH+]1CCCC1 ZINC000852710294 583550830 /nfs/dbraw/zinc/55/08/30/583550830.db2.gz NGVVGWNXYXCUIH-CVEARBPZSA-N 2 1 297.443 -0.026 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000852743200 583551300 /nfs/dbraw/zinc/55/13/00/583551300.db2.gz BBZDAMPGAXYEIV-NEPJUHHUSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000852743200 583551301 /nfs/dbraw/zinc/55/13/01/583551301.db2.gz BBZDAMPGAXYEIV-NEPJUHHUSA-N 2 1 283.372 -0.179 20 0 CBADMP CC(C)c1[nH+]ccn1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000852803892 583553895 /nfs/dbraw/zinc/55/38/95/583553895.db2.gz SLWSXCZXFALCIR-UHFFFAOYSA-N 2 1 291.359 -0.013 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)=NO1 ZINC000852854485 583561121 /nfs/dbraw/zinc/56/11/21/583561121.db2.gz HYPVGVZUUVGNMJ-RYUDHWBXSA-N 2 1 296.371 -0.587 20 0 CBADMP [NH3+]C[C@H]1CC(C(=O)N2CC[NH+](C3CC3)CC2)=NO1 ZINC000852857944 583561745 /nfs/dbraw/zinc/56/17/45/583561745.db2.gz KQWJESIWKJBBJL-SNVBAGLBSA-N 2 1 252.318 -0.603 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)=NO1 ZINC000852859317 583562059 /nfs/dbraw/zinc/56/20/59/583562059.db2.gz RMCQVMPKXMNIKC-AXFHLTTASA-N 2 1 266.345 -0.167 20 0 CBADMP [NH3+]C[C@H]1CC(C(=O)NCC[NH+]2CCSCC2)=NO1 ZINC000852859223 583562128 /nfs/dbraw/zinc/56/21/28/583562128.db2.gz PPSVSJLDYPVPOK-SECBINFHSA-N 2 1 272.374 -0.745 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)=NO1 ZINC000852860604 583562536 /nfs/dbraw/zinc/56/25/36/583562536.db2.gz SRGWYTPRRDLZSY-HOSYDEDBSA-N 2 1 266.345 -0.167 20 0 CBADMP [NH3+]C[C@H]1CC(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)=NO1 ZINC000852863120 583563323 /nfs/dbraw/zinc/56/33/23/583563323.db2.gz QPLCMYYMZFSRKK-WCBMZHEXSA-N 2 1 252.318 -0.557 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000852864296 583563665 /nfs/dbraw/zinc/56/36/65/583563665.db2.gz RJOGELXTWSXJRT-NDBYEHHHSA-N 2 1 283.372 -0.670 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)=NO1 ZINC000852865621 583564149 /nfs/dbraw/zinc/56/41/49/583564149.db2.gz JZUCHMBUROYGQY-QWRGUYRKSA-N 2 1 266.345 -0.310 20 0 CBADMP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000852865418 583564155 /nfs/dbraw/zinc/56/41/55/583564155.db2.gz BVAVKELATLHRIE-WDEREUQCSA-N 2 1 266.345 -0.215 20 0 CBADMP C[C@@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)CN1CC[NH+](C)CC1 ZINC000852873122 583565503 /nfs/dbraw/zinc/56/55/03/583565503.db2.gz PNFNGXIJWBWYBA-NWDGAFQWSA-N 2 1 297.403 -0.910 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852880905 583566816 /nfs/dbraw/zinc/56/68/16/583566816.db2.gz GAYDGUHHJATSTH-KWQFWETISA-N 2 1 258.297 -0.750 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852883625 583567765 /nfs/dbraw/zinc/56/77/65/583567765.db2.gz LVXUXZHZGJYPNR-LLVKDONJSA-N 2 1 284.360 -0.729 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852884553 583568067 /nfs/dbraw/zinc/56/80/67/583568067.db2.gz HRVWOFKGEPKQAJ-LBPRGKRZSA-N 2 1 297.403 -0.814 20 0 CBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)C2=NO[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000852884787 583568459 /nfs/dbraw/zinc/56/84/59/583568459.db2.gz KUIGPZFDNAUPFY-GRYCIOLGSA-N 2 1 298.387 -0.342 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)C2=NO[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000852884787 583568461 /nfs/dbraw/zinc/56/84/61/583568461.db2.gz KUIGPZFDNAUPFY-GRYCIOLGSA-N 2 1 298.387 -0.342 20 0 CBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)C2=NO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000852884789 583568490 /nfs/dbraw/zinc/56/84/90/583568490.db2.gz KUIGPZFDNAUPFY-TUAOUCFPSA-N 2 1 298.387 -0.342 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)C2=NO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000852884789 583568491 /nfs/dbraw/zinc/56/84/91/583568491.db2.gz KUIGPZFDNAUPFY-TUAOUCFPSA-N 2 1 298.387 -0.342 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@]1(F)CC[NH2+]C1 ZINC000852914476 583574022 /nfs/dbraw/zinc/57/40/22/583574022.db2.gz XWGVIXUPCJXRBI-DGCLKSJQSA-N 2 1 270.352 -0.806 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@]1(F)CC[NH2+]C1 ZINC000852914478 583574078 /nfs/dbraw/zinc/57/40/78/583574078.db2.gz XWGVIXUPCJXRBI-YPMHNXCESA-N 2 1 270.352 -0.806 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@]1(F)CC[NH2+]C1 ZINC000852914475 583574193 /nfs/dbraw/zinc/57/41/93/583574193.db2.gz XWGVIXUPCJXRBI-AAEUAGOBSA-N 2 1 270.352 -0.806 20 0 CBADMP C[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000857102365 583664511 /nfs/dbraw/zinc/66/45/11/583664511.db2.gz OTGWKXLPSOWRHE-AXFHLTTASA-N 2 1 258.366 -0.258 20 0 CBADMP C[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000857102365 583664512 /nfs/dbraw/zinc/66/45/12/583664512.db2.gz OTGWKXLPSOWRHE-AXFHLTTASA-N 2 1 258.366 -0.258 20 0 CBADMP COCC[NH+]1CCN(C(=O)NCC[C@H](C)[NH3+])CC1 ZINC000857113769 583665693 /nfs/dbraw/zinc/66/56/93/583665693.db2.gz HVBJTTNOIVVNIR-NSHDSACASA-N 2 1 258.366 -0.303 20 0 CBADMP [NH3+]CCCCCCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000861648610 583775867 /nfs/dbraw/zinc/77/58/67/583775867.db2.gz YGWUTYCDBIQRAJ-LBPRGKRZSA-N 2 1 272.393 -0.129 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861710319 583779894 /nfs/dbraw/zinc/77/98/94/583779894.db2.gz OJDSLFLNFVWIRW-KGLIPLIRSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861710319 583779895 /nfs/dbraw/zinc/77/98/95/583779895.db2.gz OJDSLFLNFVWIRW-KGLIPLIRSA-N 2 1 297.399 -0.624 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000861740785 583782647 /nfs/dbraw/zinc/78/26/47/583782647.db2.gz VNISEAGIIXBYPZ-VIFPVBQESA-N 2 1 256.350 -0.998 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861749365 583783689 /nfs/dbraw/zinc/78/36/89/583783689.db2.gz WHJUOEDMZSBJBD-SNVBAGLBSA-N 2 1 281.360 -0.497 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000861753203 583784232 /nfs/dbraw/zinc/78/42/32/583784232.db2.gz VEGTXKJRNMVEOT-DCAQKATOSA-N 2 1 282.388 -0.467 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000861763230 583785102 /nfs/dbraw/zinc/78/51/02/583785102.db2.gz MGEKIAYFUYGOKH-ZJUUUORDSA-N 2 1 270.377 -0.609 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000861765245 583785370 /nfs/dbraw/zinc/78/53/70/583785370.db2.gz OZMRPULKKVNDMA-CMPLNLGQSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000861767047 583785388 /nfs/dbraw/zinc/78/53/88/583785388.db2.gz MPQYIBFLBXJJQX-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863570698 583847139 /nfs/dbraw/zinc/84/71/39/583847139.db2.gz YWTUFOGHKWYFMG-NEPJUHHUSA-N 2 1 256.394 -0.182 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863751374 583852533 /nfs/dbraw/zinc/85/25/33/583852533.db2.gz HORTZERQCKRNFC-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000863755193 583853231 /nfs/dbraw/zinc/85/32/31/583853231.db2.gz LDSAXOCTGMIRST-PWSUYJOCSA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000863768404 583855197 /nfs/dbraw/zinc/85/51/97/583855197.db2.gz OJZKDUIPBMBNLY-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000863767100 583855227 /nfs/dbraw/zinc/85/52/27/583855227.db2.gz JMGSOSICHOVFAJ-SNVBAGLBSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000863769562 583855684 /nfs/dbraw/zinc/85/56/84/583855684.db2.gz LFZYVCFOQDYKGD-MNOVXSKESA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000863774322 583856221 /nfs/dbraw/zinc/85/62/21/583856221.db2.gz VBMMNIITMAYOGG-GARJFASQSA-N 2 1 270.377 -0.657 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000863774322 583856222 /nfs/dbraw/zinc/85/62/22/583856222.db2.gz VBMMNIITMAYOGG-GARJFASQSA-N 2 1 270.377 -0.657 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000864068185 583869346 /nfs/dbraw/zinc/86/93/46/583869346.db2.gz OHTJEBKREYRUOY-TZMCWYRMSA-N 2 1 267.373 -0.252 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000864068185 583869348 /nfs/dbraw/zinc/86/93/48/583869348.db2.gz OHTJEBKREYRUOY-TZMCWYRMSA-N 2 1 267.373 -0.252 20 0 CBADMP CN1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C(C)(C)C1=O ZINC000864096509 583873921 /nfs/dbraw/zinc/87/39/21/583873921.db2.gz BQMIXCGMENFYCP-NSHDSACASA-N 2 1 267.373 -0.083 20 0 CBADMP CN1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C(C)(C)C1=O ZINC000864096509 583873922 /nfs/dbraw/zinc/87/39/22/583873922.db2.gz BQMIXCGMENFYCP-NSHDSACASA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@@H](O)[C@H](O)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000865739894 583908258 /nfs/dbraw/zinc/90/82/58/583908258.db2.gz XKJPBYKOTNVUCH-DGCLKSJQSA-N 2 1 295.387 -0.940 20 0 CBADMP C[NH+]1CCC([NH2+]C[C@]23COC(=O)N2CCOC3)CC1 ZINC000865769545 583908840 /nfs/dbraw/zinc/90/88/40/583908840.db2.gz XEQZWTDHMXKPGY-ZDUSSCGKSA-N 2 1 269.345 -0.109 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nccc(N)n1 ZINC000866019886 583914709 /nfs/dbraw/zinc/91/47/09/583914709.db2.gz WMXKXIRNLVQCDW-NSHDSACASA-N 2 1 294.403 -0.109 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nccc(N)n1 ZINC000866019886 583914710 /nfs/dbraw/zinc/91/47/10/583914710.db2.gz WMXKXIRNLVQCDW-NSHDSACASA-N 2 1 294.403 -0.109 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]23COCCN2C(=O)COC3)CC[N@H+]1C ZINC000866554164 583924071 /nfs/dbraw/zinc/92/40/71/583924071.db2.gz GAZPJVIPFBMPAU-IPYPFGDCSA-N 2 1 297.399 -0.314 20 0 CBADMP Cn1nnnc1CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000866661210 583926256 /nfs/dbraw/zinc/92/62/56/583926256.db2.gz QFIKGPYJUSCNME-AXFHLTTASA-N 2 1 250.350 -0.188 20 0 CBADMP CNC(=O)NC[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000866685766 583927155 /nfs/dbraw/zinc/92/71/55/583927155.db2.gz XHQFWNSEVHQTAZ-CYBMUJFWSA-N 2 1 283.420 -0.325 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]2C1=O ZINC000866702044 583927713 /nfs/dbraw/zinc/92/77/13/583927713.db2.gz SQPKLEXRNZAEID-MXWKQRLJSA-N 2 1 251.330 -0.467 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000866708162 583927870 /nfs/dbraw/zinc/92/78/70/583927870.db2.gz DCDWEKNLFHJSSB-FVCCEPFGSA-N 2 1 281.356 -0.110 20 0 CBADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000866704497 583927904 /nfs/dbraw/zinc/92/79/04/583927904.db2.gz ODEWGSAUOPTSQM-OAHLLOKOSA-N 2 1 296.415 -0.358 20 0 CBADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000866704497 583927906 /nfs/dbraw/zinc/92/79/06/583927906.db2.gz ODEWGSAUOPTSQM-OAHLLOKOSA-N 2 1 296.415 -0.358 20 0 CBADMP COC[C@H](C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)OC ZINC000866711048 583928059 /nfs/dbraw/zinc/92/80/59/583928059.db2.gz AOAPJIFRUFRUSB-XQHKEYJVSA-N 2 1 299.371 -0.485 20 0 CBADMP COCCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711288 583928085 /nfs/dbraw/zinc/92/80/85/583928085.db2.gz HBHQGRXCYDYOSF-UTUOFQBUSA-N 2 1 269.345 -0.110 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000866711468 583928096 /nfs/dbraw/zinc/92/80/96/583928096.db2.gz LIUCQOIXWBJLGE-RFQIPJPRSA-N 3 1 294.399 -0.147 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000866711469 583928177 /nfs/dbraw/zinc/92/81/77/583928177.db2.gz LIUCQOIXWBJLGE-XDQVBPFNSA-N 3 1 294.399 -0.147 20 0 CBADMP O=C1NCCO[C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)[C@@H]12 ZINC000866717463 583928712 /nfs/dbraw/zinc/92/87/12/583928712.db2.gz GFDSAXLPKUVQQE-QWHCGFSZSA-N 2 1 267.373 -0.035 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000866770078 583932100 /nfs/dbraw/zinc/93/21/00/583932100.db2.gz UEPMQCVDIARVDE-SECBINFHSA-N 2 1 285.360 -0.145 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000868386796 583976623 /nfs/dbraw/zinc/97/66/23/583976623.db2.gz JDDUBWURVFHSTM-UPJWGTAASA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC[NH2+]1 ZINC000868389228 583976926 /nfs/dbraw/zinc/97/69/26/583976926.db2.gz NZZQZHDQEQXGFM-JHJVBQTASA-N 2 1 294.399 -0.641 20 0 CBADMP 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 583977065 /nfs/dbraw/zinc/97/70/65/583977065.db2.gz MRJISWLZUSOCMM-YVECIDJPSA-N 2 1 294.399 -0.655 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868395140 583977381 /nfs/dbraw/zinc/97/73/81/583977381.db2.gz HBDOOLURMLLEIX-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868396187 583977389 /nfs/dbraw/zinc/97/73/89/583977389.db2.gz ILODLKNNKDVRPC-QJPTWQEYSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868396189 583977432 /nfs/dbraw/zinc/97/74/32/583977432.db2.gz ILODLKNNKDVRPC-SRVKXCTJSA-N 2 1 282.388 -0.655 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000868403956 583977792 /nfs/dbraw/zinc/97/77/92/583977792.db2.gz BLXXMCIBANNFCY-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC[NH2+]1 ZINC000868405503 583977921 /nfs/dbraw/zinc/97/79/21/583977921.db2.gz IYXLVTQKEVAAEA-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC1(C)C ZINC000868405765 583977938 /nfs/dbraw/zinc/97/79/38/583977938.db2.gz KFRPTUSPTGDGEP-RYUDHWBXSA-N 2 1 294.399 -0.498 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868411667 583978314 /nfs/dbraw/zinc/97/83/14/583978314.db2.gz ZRJTZFXLASSAHG-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000870927342 584021651 /nfs/dbraw/zinc/02/16/51/584021651.db2.gz QKEUQBIISXVFKB-OUCADQQQSA-N 2 1 267.373 -0.048 20 0 CBADMP COCCN(C)C(=[NH2+])NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000871603940 584043330 /nfs/dbraw/zinc/04/33/30/584043330.db2.gz NBWNZHKGPNVXDL-GFCCVEGCSA-N 2 1 299.419 -0.324 20 0 CBADMP C[C@]12C[N@H+](CCOCC[NH3+])C[C@@]1(C)CS(=O)(=O)C2 ZINC000872146953 584048188 /nfs/dbraw/zinc/04/81/88/584048188.db2.gz BMNWZQALPBJLRN-TXEJJXNPSA-N 2 1 276.402 -0.282 20 0 CBADMP C[C@]12C[N@@H+](CCOCC[NH3+])C[C@@]1(C)CS(=O)(=O)C2 ZINC000872146953 584048191 /nfs/dbraw/zinc/04/81/91/584048191.db2.gz BMNWZQALPBJLRN-TXEJJXNPSA-N 2 1 276.402 -0.282 20 0 CBADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(c2nnnn2C)CC1 ZINC000872146519 584048245 /nfs/dbraw/zinc/04/82/45/584048245.db2.gz POVIBZKRWBLQSV-LBPRGKRZSA-N 2 1 268.365 -0.640 20 0 CBADMP CC(C)(O)C[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000872198895 584049639 /nfs/dbraw/zinc/04/96/39/584049639.db2.gz BVSFSZGJRMOGHF-AVGNSLFASA-N 2 1 272.389 -0.039 20 0 CBADMP CC(C)(O)C[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000872198895 584049642 /nfs/dbraw/zinc/04/96/42/584049642.db2.gz BVSFSZGJRMOGHF-AVGNSLFASA-N 2 1 272.389 -0.039 20 0 CBADMP C[C@H](O)[C@@H](O)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872224484 584051138 /nfs/dbraw/zinc/05/11/38/584051138.db2.gz FBLZWBTVYUVQAV-CWRNSKLLSA-N 2 1 294.395 -0.045 20 0 CBADMP COC(=O)C1CC([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000872228033 584051441 /nfs/dbraw/zinc/05/14/41/584051441.db2.gz VAIBSKGEAUEWOX-CBINBANVSA-N 2 1 256.346 -0.017 20 0 CBADMP COC(=O)C1CC([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000872228033 584051443 /nfs/dbraw/zinc/05/14/43/584051443.db2.gz VAIBSKGEAUEWOX-CBINBANVSA-N 2 1 256.346 -0.017 20 0 CBADMP O=C1OC[C@]2(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)COCCN12 ZINC000872227456 584051519 /nfs/dbraw/zinc/05/15/19/584051519.db2.gz FHPYSCQBEZMTAL-OCCSQVGLSA-N 2 1 299.371 -0.746 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000872276887 584053081 /nfs/dbraw/zinc/05/30/81/584053081.db2.gz SWUXCQFYVUHRFP-XUJVJEKNSA-N 2 1 294.399 -0.606 20 0 CBADMP C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)[C@H]1CCC[NH2+]1 ZINC000873249396 584069245 /nfs/dbraw/zinc/06/92/45/584069245.db2.gz NCZXUZUMCQQXBU-NQBHXWOUSA-N 2 1 269.345 -0.062 20 0 CBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCc1nn[nH]n1 ZINC000874383008 584082486 /nfs/dbraw/zinc/08/24/86/584082486.db2.gz YUHNUDUUEFUPOF-UHFFFAOYSA-N 2 1 297.407 -0.526 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876722715 584140760 /nfs/dbraw/zinc/14/07/60/584140760.db2.gz CDFHCVXMUNSKEI-RYUDHWBXSA-N 2 1 256.394 -0.277 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876722714 584140771 /nfs/dbraw/zinc/14/07/71/584140771.db2.gz CDFHCVXMUNSKEI-NEPJUHHUSA-N 2 1 256.394 -0.277 20 0 CBADMP COC[C@]1(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)C[NH2+]CCO1 ZINC000876723174 584141060 /nfs/dbraw/zinc/14/10/60/584141060.db2.gz ORPMLUUUWVUIDE-HIFRSBDPSA-N 2 1 299.415 -0.161 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876725924 584141087 /nfs/dbraw/zinc/14/10/87/584141087.db2.gz QLFPQLFGUFTLPW-RYUDHWBXSA-N 2 1 296.415 -0.314 20 0 CBADMP COC[C@]1(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C[NH2+]CCO1 ZINC000876726841 584141300 /nfs/dbraw/zinc/14/13/00/584141300.db2.gz ALBGRVUAJGCLKU-GUTXKFCHSA-N 2 1 297.399 -0.266 20 0 CBADMP COC[C@@]1(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)C[NH2+]CCO1 ZINC000876733790 584141713 /nfs/dbraw/zinc/14/17/13/584141713.db2.gz HRUWFLMWDXHMLY-UKRRQHHQSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C[NH+]1CCOCC1 ZINC000876745663 584142119 /nfs/dbraw/zinc/14/21/19/584142119.db2.gz FWBWLOGENZQQLE-DCAQKATOSA-N 2 1 291.342 -0.089 20 0 CBADMP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000876753464 584142434 /nfs/dbraw/zinc/14/24/34/584142434.db2.gz KZGHJLRHTZNLBJ-ZOBORPQBSA-N 2 1 299.390 -0.008 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876782524 584144170 /nfs/dbraw/zinc/14/41/70/584144170.db2.gz QLDYHLNCVRDLKT-ZMLRMANQSA-N 2 1 254.378 -0.526 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876784052 584144494 /nfs/dbraw/zinc/14/44/94/584144494.db2.gz VPACREMOVNBGPB-WOPDTQHZSA-N 2 1 268.405 -0.278 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876784051 584144644 /nfs/dbraw/zinc/14/46/44/584144644.db2.gz VPACREMOVNBGPB-UTUOFQBUSA-N 2 1 268.405 -0.278 20 0 CBADMP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000876973196 584159262 /nfs/dbraw/zinc/15/92/62/584159262.db2.gz XQZFMDGPIWKJSQ-JHJVBQTASA-N 2 1 280.416 -0.134 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC[C@@H]21 ZINC000877248545 584172324 /nfs/dbraw/zinc/17/23/24/584172324.db2.gz BHPAYROCGXPTTN-FVCCEPFGSA-N 2 1 267.373 -0.097 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC[C@H]21 ZINC000877248544 584172339 /nfs/dbraw/zinc/17/23/39/584172339.db2.gz BHPAYROCGXPTTN-FDYHWXHSSA-N 2 1 267.373 -0.097 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000877375212 584180028 /nfs/dbraw/zinc/18/00/28/584180028.db2.gz VDRCXXZPVPGAOT-SGMGOOAPSA-N 2 1 267.373 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000877375212 584180030 /nfs/dbraw/zinc/18/00/30/584180030.db2.gz VDRCXXZPVPGAOT-SGMGOOAPSA-N 2 1 267.373 -0.225 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000877451590 584182253 /nfs/dbraw/zinc/18/22/53/584182253.db2.gz RTMCRSAWKQRAKN-QJPTWQEYSA-N 2 1 283.372 -0.038 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c(=O)n(C)c1=O ZINC000877743653 584185229 /nfs/dbraw/zinc/18/52/29/584185229.db2.gz LQSHUIASJRPHHT-DGCLKSJQSA-N 2 1 292.383 -0.390 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c(=O)n(C)c1=O ZINC000877743653 584185232 /nfs/dbraw/zinc/18/52/32/584185232.db2.gz LQSHUIASJRPHHT-DGCLKSJQSA-N 2 1 292.383 -0.390 20 0 CBADMP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(=O)n(C)c1=O ZINC000877743653 584185233 /nfs/dbraw/zinc/18/52/33/584185233.db2.gz LQSHUIASJRPHHT-DGCLKSJQSA-N 2 1 292.383 -0.390 20 0 CBADMP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(=O)n(C)c1=O ZINC000877743653 584185236 /nfs/dbraw/zinc/18/52/36/584185236.db2.gz LQSHUIASJRPHHT-DGCLKSJQSA-N 2 1 292.383 -0.390 20 0 CBADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)CC(C)(C)O ZINC000878108666 584193236 /nfs/dbraw/zinc/19/32/36/584193236.db2.gz HVUFNIUBVXXHOU-UHFFFAOYSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H](O)C1CC1 ZINC000878175279 584195025 /nfs/dbraw/zinc/19/50/25/584195025.db2.gz ODOQPCVCKSBLQS-ZDUSSCGKSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C1CC(O)C1 ZINC000878430923 584202592 /nfs/dbraw/zinc/20/25/92/584202592.db2.gz WYRPNOFOHHPXLT-UHFFFAOYSA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C1CC(O)C1 ZINC000878430923 584202594 /nfs/dbraw/zinc/20/25/94/584202594.db2.gz WYRPNOFOHHPXLT-UHFFFAOYSA-N 2 1 255.362 -0.348 20 0 CBADMP CO[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H]1OC ZINC000878506104 584206416 /nfs/dbraw/zinc/20/64/16/584206416.db2.gz ZHRMGPUJRPIDAY-BETUJISGSA-N 2 1 285.388 -0.458 20 0 CBADMP CO[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H]1OC ZINC000878506104 584206418 /nfs/dbraw/zinc/20/64/18/584206418.db2.gz ZHRMGPUJRPIDAY-BETUJISGSA-N 2 1 285.388 -0.458 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000879998618 584259386 /nfs/dbraw/zinc/25/93/86/584259386.db2.gz WQBVNCFQACJXJZ-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000879998618 584259387 /nfs/dbraw/zinc/25/93/87/584259387.db2.gz WQBVNCFQACJXJZ-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CO[C@@H]1COCC[C@H]1[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000880433672 584273811 /nfs/dbraw/zinc/27/38/11/584273811.db2.gz ZBPIKOMIEULZCD-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CO[C@@H]1COCC[C@H]1[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000880433672 584273813 /nfs/dbraw/zinc/27/38/13/584273813.db2.gz ZBPIKOMIEULZCD-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000882486831 584318708 /nfs/dbraw/zinc/31/87/08/584318708.db2.gz XFOKMWRNCFADAQ-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000882486831 584318711 /nfs/dbraw/zinc/31/87/11/584318711.db2.gz XFOKMWRNCFADAQ-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP COC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1CCCOC1 ZINC000883187053 584338981 /nfs/dbraw/zinc/33/89/81/584338981.db2.gz FEBUZYGRIWHBQZ-XQQFMLRXSA-N 2 1 260.378 -0.060 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)NCC[NH+](C)CCOC ZINC000883298791 584339462 /nfs/dbraw/zinc/33/94/62/584339462.db2.gz CDYVFMJAMAEBCI-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C[N@H+](CCNC1CC[NH+](C)CC1)CCOCCO ZINC000883348624 584340185 /nfs/dbraw/zinc/34/01/85/584340185.db2.gz YGWPLYGTUWFTEU-UHFFFAOYSA-N 2 1 259.394 -0.389 20 0 CBADMP C[N@@H+](CCNC1CC[NH+](C)CC1)CCOCCO ZINC000883348624 584340187 /nfs/dbraw/zinc/34/01/87/584340187.db2.gz YGWPLYGTUWFTEU-UHFFFAOYSA-N 2 1 259.394 -0.389 20 0 CBADMP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CCC2(CCOCC2)O1 ZINC000883430004 584341901 /nfs/dbraw/zinc/34/19/01/584341901.db2.gz LEBKCWGOEWTIDH-VXGBXAGGSA-N 2 1 258.362 -0.034 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CCC2(CCOCC2)O1 ZINC000883430004 584341902 /nfs/dbraw/zinc/34/19/02/584341902.db2.gz LEBKCWGOEWTIDH-VXGBXAGGSA-N 2 1 258.362 -0.034 20 0 CBADMP O=C1NCC[C@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)[C@H]12 ZINC000883462323 584343200 /nfs/dbraw/zinc/34/32/00/584343200.db2.gz OHZYPAPVUNOWBD-OLZOCXBDSA-N 2 1 266.389 -0.508 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000883642325 584345752 /nfs/dbraw/zinc/34/57/52/584345752.db2.gz IXAGJDANTJWYGE-JTQLQIEISA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000883642325 584345754 /nfs/dbraw/zinc/34/57/54/584345754.db2.gz IXAGJDANTJWYGE-JTQLQIEISA-N 2 1 270.377 -0.655 20 0 CBADMP COCC[C@H]([NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000884183466 584364728 /nfs/dbraw/zinc/36/47/28/584364728.db2.gz NQWMSRWIKWIZDI-STQMWFEESA-N 2 1 287.404 -0.177 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000884328613 584374681 /nfs/dbraw/zinc/37/46/81/584374681.db2.gz ULQBURJLSDKKHO-UTUOFQBUSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@H](C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C)N1CC[NH+](C)CC1 ZINC000884360387 584376483 /nfs/dbraw/zinc/37/64/83/584376483.db2.gz ZHQNGDLUKWETQG-WOPDTQHZSA-N 2 1 268.405 -0.136 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884390021 584378209 /nfs/dbraw/zinc/37/82/09/584378209.db2.gz LZFFODUXCVGKRT-WYUUTHIRSA-N 2 1 273.377 -0.426 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884390021 584378211 /nfs/dbraw/zinc/37/82/11/584378211.db2.gz LZFFODUXCVGKRT-WYUUTHIRSA-N 2 1 273.377 -0.426 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884508358 584385799 /nfs/dbraw/zinc/38/57/99/584385799.db2.gz BBRFJRCVMGXDKS-GFCCVEGCSA-N 2 1 293.371 -0.352 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884545554 584387347 /nfs/dbraw/zinc/38/73/47/584387347.db2.gz LJLQRXDLVNDGNZ-KOLCDFICSA-N 2 1 279.344 -0.744 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000884545865 584387380 /nfs/dbraw/zinc/38/73/80/584387380.db2.gz UYPWFUJCUHNPNO-LBPRGKRZSA-N 2 1 293.371 -0.352 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884553821 584387860 /nfs/dbraw/zinc/38/78/60/584387860.db2.gz HXYVGASWNRXWGS-RSLMWUCJSA-N 2 1 292.383 -0.842 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884555313 584387864 /nfs/dbraw/zinc/38/78/64/584387864.db2.gz ONGABHACFMFRNJ-CYZMBNFOSA-N 2 1 294.399 -0.465 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884601745 584389694 /nfs/dbraw/zinc/38/96/94/584389694.db2.gz UQPJEQYFPPRFPA-TUAOUCFPSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000884623726 584391435 /nfs/dbraw/zinc/39/14/35/584391435.db2.gz MPSYAHJJNMSTPV-GVXVVHGQSA-N 2 1 294.399 -0.299 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884626889 584391605 /nfs/dbraw/zinc/39/16/05/584391605.db2.gz YNKLDJFLNVMEBF-FRRDWIJNSA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884626140 584391772 /nfs/dbraw/zinc/39/17/72/584391772.db2.gz BFGHDCVWKLITKH-MROQNXINSA-N 2 1 294.399 -0.323 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884626198 584391804 /nfs/dbraw/zinc/39/18/04/584391804.db2.gz DFZVXOCAHGITHX-XQHKEYJVSA-N 2 1 292.383 -0.698 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884669807 584393762 /nfs/dbraw/zinc/39/37/62/584393762.db2.gz HMPKVGKZKOUYMF-WUHRBBMRSA-N 2 1 292.383 -0.698 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCC[NH3+])CC[C@@H]21 ZINC000884672999 584394288 /nfs/dbraw/zinc/39/42/88/584394288.db2.gz JVMVOKLJVBKAJD-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000884673747 584394517 /nfs/dbraw/zinc/39/45/17/584394517.db2.gz FDOKXZAAQMHGIM-FRRDWIJNSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000884673748 584394519 /nfs/dbraw/zinc/39/45/19/584394519.db2.gz FDOKXZAAQMHGIM-JHJVBQTASA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884675905 584394877 /nfs/dbraw/zinc/39/48/77/584394877.db2.gz UUFYRBNNSDYYGT-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000884675764 584394929 /nfs/dbraw/zinc/39/49/29/584394929.db2.gz PCJXUWPGXGODSA-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCC1(C)C ZINC000884679151 584395587 /nfs/dbraw/zinc/39/55/87/584395587.db2.gz XTHXPBIXZYHRBB-LBPRGKRZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884687665 584396642 /nfs/dbraw/zinc/39/66/42/584396642.db2.gz DHKYVGDPTSKUJT-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000884692069 584397550 /nfs/dbraw/zinc/39/75/50/584397550.db2.gz FDOKXZAAQMHGIM-YNEHKIRRSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884697981 584398458 /nfs/dbraw/zinc/39/84/58/584398458.db2.gz HWACFZFNNQXQHB-UTUOFQBUSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884703662 584398590 /nfs/dbraw/zinc/39/85/90/584398590.db2.gz GYSFSDZILPRSNJ-GRYCIOLGSA-N 2 1 282.388 -0.608 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884702951 584398601 /nfs/dbraw/zinc/39/86/01/584398601.db2.gz OCTWWYDIRMOOST-LLVKDONJSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884702951 584398602 /nfs/dbraw/zinc/39/86/02/584398602.db2.gz OCTWWYDIRMOOST-LLVKDONJSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884704688 584399238 /nfs/dbraw/zinc/39/92/38/584399238.db2.gz PFJVQKYSFISWNM-OUAUKWLOSA-N 2 1 268.361 -0.998 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC[C@@H]21 ZINC000884706675 584399577 /nfs/dbraw/zinc/39/95/77/584399577.db2.gz KQMHIJNHBAGJEC-AGIUHOORSA-N 2 1 294.399 -0.608 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884729209 584401105 /nfs/dbraw/zinc/40/11/05/584401105.db2.gz KMOARLMMPYVJDW-WUHRBBMRSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884729664 584401324 /nfs/dbraw/zinc/40/13/24/584401324.db2.gz SSPYNLUMSOPGQS-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884729664 584401327 /nfs/dbraw/zinc/40/13/27/584401327.db2.gz SSPYNLUMSOPGQS-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)[C@H]1CC[NH2+]C1 ZINC000887068025 584461237 /nfs/dbraw/zinc/46/12/37/584461237.db2.gz DMDBOBMDGHLDSG-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC[C@@H]21 ZINC000887089773 584463244 /nfs/dbraw/zinc/46/32/44/584463244.db2.gz STBBUPSZFJWYFR-XQQFMLRXSA-N 2 1 294.399 -0.511 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000890059461 584540198 /nfs/dbraw/zinc/54/01/98/584540198.db2.gz IBQZWXRALFDVIM-OLZOCXBDSA-N 2 1 284.404 -0.211 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000890059461 584540199 /nfs/dbraw/zinc/54/01/99/584540199.db2.gz IBQZWXRALFDVIM-OLZOCXBDSA-N 2 1 284.404 -0.211 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000890059461 584540201 /nfs/dbraw/zinc/54/02/01/584540201.db2.gz IBQZWXRALFDVIM-OLZOCXBDSA-N 2 1 284.404 -0.211 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000890059461 584540202 /nfs/dbraw/zinc/54/02/02/584540202.db2.gz IBQZWXRALFDVIM-OLZOCXBDSA-N 2 1 284.404 -0.211 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000890057947 584540295 /nfs/dbraw/zinc/54/02/95/584540295.db2.gz RJTSXLMRXWSNRV-VXGBXAGGSA-N 2 1 270.377 -0.554 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000890057947 584540297 /nfs/dbraw/zinc/54/02/97/584540297.db2.gz RJTSXLMRXWSNRV-VXGBXAGGSA-N 2 1 270.377 -0.554 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000890057947 584540299 /nfs/dbraw/zinc/54/02/99/584540299.db2.gz RJTSXLMRXWSNRV-VXGBXAGGSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000891514719 584583657 /nfs/dbraw/zinc/58/36/57/584583657.db2.gz YEBXPKLSAJFCBO-XQHKEYJVSA-N 2 1 282.388 -0.019 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000891540076 584584738 /nfs/dbraw/zinc/58/47/38/584584738.db2.gz LWDUQKNHAGROLZ-CHWSQXEVSA-N 2 1 283.420 -0.245 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891540675 584584905 /nfs/dbraw/zinc/58/49/05/584584905.db2.gz XEDHJFLPROPKCT-MCIONIFRSA-N 2 1 295.431 -0.232 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891540623 584584912 /nfs/dbraw/zinc/58/49/12/584584912.db2.gz VRQVCVCOYNUPRW-XQQFMLRXSA-N 2 1 281.404 -0.622 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000891575061 584586591 /nfs/dbraw/zinc/58/65/91/584586591.db2.gz DFCBQLHOFUVMQB-IJLUTSLNSA-N 2 1 270.377 -0.256 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000891575058 584586665 /nfs/dbraw/zinc/58/66/65/584586665.db2.gz DFCBQLHOFUVMQB-GRYCIOLGSA-N 2 1 270.377 -0.256 20 0 CBADMP C[C@@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000891604218 584587784 /nfs/dbraw/zinc/58/77/84/584587784.db2.gz WLGWMKRLMKCOPU-IHRRRGAJSA-N 2 1 297.447 -0.094 20 0 CBADMP C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000891697443 584589994 /nfs/dbraw/zinc/58/99/94/584589994.db2.gz DCUNQEVRELDASQ-NNYUYHANSA-N 2 1 270.377 -0.258 20 0 CBADMP C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000891697443 584589996 /nfs/dbraw/zinc/58/99/96/584589996.db2.gz DCUNQEVRELDASQ-NNYUYHANSA-N 2 1 270.377 -0.258 20 0 CBADMP C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000891698124 584590008 /nfs/dbraw/zinc/59/00/08/584590008.db2.gz KLBWMLZYGQUBBX-KXNHARMFSA-N 2 1 270.377 -0.163 20 0 CBADMP C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000891698124 584590010 /nfs/dbraw/zinc/59/00/10/584590010.db2.gz KLBWMLZYGQUBBX-KXNHARMFSA-N 2 1 270.377 -0.163 20 0 CBADMP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[N@H+](C)CCO1 ZINC000891699004 584590597 /nfs/dbraw/zinc/59/05/97/584590597.db2.gz XHVWWCBYJPBWQK-FVCCEPFGSA-N 2 1 282.388 -0.149 20 0 CBADMP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[N@@H+](C)CCO1 ZINC000891699004 584590601 /nfs/dbraw/zinc/59/06/01/584590601.db2.gz XHVWWCBYJPBWQK-FVCCEPFGSA-N 2 1 282.388 -0.149 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891918952 584594288 /nfs/dbraw/zinc/59/42/88/584594288.db2.gz PDBMLMYJACJMSA-RYUDHWBXSA-N 2 1 268.361 -0.536 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000892014509 584599211 /nfs/dbraw/zinc/59/92/11/584599211.db2.gz HRSKISZKNNVQJK-NEPJUHHUSA-N 2 1 284.404 -0.117 20 0 CBADMP CCN(C(=O)NCC(F)(F)C[NH3+])[C@H]1CC[NH2+]C1 ZINC000892065199 584602824 /nfs/dbraw/zinc/60/28/24/584602824.db2.gz NKSZCRJFOISCQP-QMMMGPOBSA-N 2 1 250.293 -0.026 20 0 CBADMP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000892097846 584604487 /nfs/dbraw/zinc/60/44/87/584604487.db2.gz SHCLFZWVIUNEOS-UWVGGRQHSA-N 2 1 258.366 -0.522 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000892551837 584618351 /nfs/dbraw/zinc/61/83/51/584618351.db2.gz NIEAFCSPDRGHQT-XQQFMLRXSA-N 2 1 284.404 -0.130 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000892551912 584618430 /nfs/dbraw/zinc/61/84/30/584618430.db2.gz PPYAKCJKUXUMEN-FRRDWIJNSA-N 2 1 284.404 -0.130 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCC(C)(C)[NH3+] ZINC000892849882 584628228 /nfs/dbraw/zinc/62/82/28/584628228.db2.gz HLEFYWQTIRXJGX-LLVKDONJSA-N 2 1 272.393 -0.178 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCC(C)(C)[NH3+] ZINC000892849882 584628230 /nfs/dbraw/zinc/62/82/30/584628230.db2.gz HLEFYWQTIRXJGX-LLVKDONJSA-N 2 1 272.393 -0.178 20 0 CBADMP COCCOC[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000892925374 584629804 /nfs/dbraw/zinc/62/98/04/584629804.db2.gz CVRHBODHLPWHPD-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)[C@H]1OC ZINC000893606682 584643329 /nfs/dbraw/zinc/64/33/29/584643329.db2.gz QLVZKHOJJZZIOS-FDYHWXHSSA-N 2 1 258.362 -0.165 20 0 CBADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)[C@H]1OC ZINC000893606682 584643330 /nfs/dbraw/zinc/64/33/30/584643330.db2.gz QLVZKHOJJZZIOS-FDYHWXHSSA-N 2 1 258.362 -0.165 20 0 CBADMP C[C@@H](CNC(=O)N1CCN(C)CC[N@@H+](C)CC1)[NH+](C)C ZINC000895206769 584673394 /nfs/dbraw/zinc/67/33/94/584673394.db2.gz XWRYBROLWDDELX-ZDUSSCGKSA-N 2 1 285.436 -0.175 20 0 CBADMP C[NH+]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000895428360 584679033 /nfs/dbraw/zinc/67/90/33/584679033.db2.gz QHULDNWHQAMQCF-UHFFFAOYSA-N 2 1 267.373 -0.129 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CCN(CCO)CC1 ZINC000895586321 584682042 /nfs/dbraw/zinc/68/20/42/584682042.db2.gz SEJKLULRTNFRGY-LBPRGKRZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+]1CCC(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000897053033 584707736 /nfs/dbraw/zinc/70/77/36/584707736.db2.gz QGTOCWIQRXOTLR-LBPRGKRZSA-N 2 1 275.418 -0.061 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCCN1CCNC(=O)C1 ZINC000897175814 584709663 /nfs/dbraw/zinc/70/96/63/584709663.db2.gz XPFJGPKFMHOMKH-NSHDSACASA-N 2 1 268.361 -0.981 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCCN1CCNC(=O)C1 ZINC000897175813 584709680 /nfs/dbraw/zinc/70/96/80/584709680.db2.gz XPFJGPKFMHOMKH-LLVKDONJSA-N 2 1 268.361 -0.981 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000897514628 584719398 /nfs/dbraw/zinc/71/93/98/584719398.db2.gz VKLMYRAMDVLYJB-TZMCWYRMSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000897514628 584719402 /nfs/dbraw/zinc/71/94/02/584719402.db2.gz VKLMYRAMDVLYJB-TZMCWYRMSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@@H]1CCC[NH+]1CCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000897514628 584719404 /nfs/dbraw/zinc/71/94/04/584719404.db2.gz VKLMYRAMDVLYJB-TZMCWYRMSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@@H]1CCC[NH+]1CCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000897514628 584719406 /nfs/dbraw/zinc/71/94/06/584719406.db2.gz VKLMYRAMDVLYJB-TZMCWYRMSA-N 2 1 296.415 -0.069 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCN3CCC4)C[C@@H]2C1 ZINC000898166384 584732443 /nfs/dbraw/zinc/73/24/43/584732443.db2.gz SCCPKPXQSRTYGQ-QLFBSQMISA-N 2 1 292.427 -0.214 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)C[C@@H]2C1 ZINC000898166384 584732444 /nfs/dbraw/zinc/73/24/44/584732444.db2.gz SCCPKPXQSRTYGQ-QLFBSQMISA-N 2 1 292.427 -0.214 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C[C@@H]2C1 ZINC000898166384 584732445 /nfs/dbraw/zinc/73/24/45/584732445.db2.gz SCCPKPXQSRTYGQ-QLFBSQMISA-N 2 1 292.427 -0.214 20 0 CBADMP C[C@@H](C(=O)NCC[N@H+](C)CCO)[NH+]1CCSCC1 ZINC000899736489 584777743 /nfs/dbraw/zinc/77/77/43/584777743.db2.gz HAFGPBIUOUDMNG-NSHDSACASA-N 2 1 275.418 -0.536 20 0 CBADMP C[C@@H](C(=O)NCC[N@@H+](C)CCO)[NH+]1CCSCC1 ZINC000899736489 584777744 /nfs/dbraw/zinc/77/77/44/584777744.db2.gz HAFGPBIUOUDMNG-NSHDSACASA-N 2 1 275.418 -0.536 20 0 CBADMP C[N@H+](CCO)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000899738881 584778797 /nfs/dbraw/zinc/77/87/97/584778797.db2.gz PEZFLSCQDHZZCR-UHFFFAOYSA-N 2 1 296.371 -0.076 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000899738881 584778799 /nfs/dbraw/zinc/77/87/99/584778799.db2.gz PEZFLSCQDHZZCR-UHFFFAOYSA-N 2 1 296.371 -0.076 20 0 CBADMP C[C@@H](Cc1cnc[nH]1)C(=O)NCC[N@H+](C)CCO ZINC000899741419 584779837 /nfs/dbraw/zinc/77/98/37/584779837.db2.gz XCMBWQZGVJETTB-JTQLQIEISA-N 2 1 254.334 -0.371 20 0 CBADMP C[C@@H](Cc1cnc[nH]1)C(=O)NCC[N@@H+](C)CCO ZINC000899741419 584779838 /nfs/dbraw/zinc/77/98/38/584779838.db2.gz XCMBWQZGVJETTB-JTQLQIEISA-N 2 1 254.334 -0.371 20 0 CBADMP CC[NH+](CC)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000899904873 584783582 /nfs/dbraw/zinc/78/35/82/584783582.db2.gz RASKTCPCDAWUTM-WCQYABFASA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000899907574 584783872 /nfs/dbraw/zinc/78/38/72/584783872.db2.gz HZIZTPRNOITHSL-AWEZNQCLSA-N 2 1 269.389 -0.003 20 0 CBADMP CC[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000899907574 584783873 /nfs/dbraw/zinc/78/38/73/584783873.db2.gz HZIZTPRNOITHSL-AWEZNQCLSA-N 2 1 269.389 -0.003 20 0 CBADMP CN(C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)C1CC[NH+](C)CC1 ZINC000899909164 584784154 /nfs/dbraw/zinc/78/41/54/584784154.db2.gz LUQMKUYFDMYPQN-TZMCWYRMSA-N 2 1 269.389 -0.006 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900010252 584788915 /nfs/dbraw/zinc/78/89/15/584788915.db2.gz VPGBTXXKBSBLOG-ZFWWWQNUSA-N 2 1 298.431 -0.853 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000900280002 584797940 /nfs/dbraw/zinc/79/79/40/584797940.db2.gz ZPXYPSCFFUZLNY-UKRRQHHQSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000900280002 584797942 /nfs/dbraw/zinc/79/79/42/584797942.db2.gz ZPXYPSCFFUZLNY-UKRRQHHQSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000900280003 584798018 /nfs/dbraw/zinc/79/80/18/584798018.db2.gz ZPXYPSCFFUZLNY-ZFWWWQNUSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000900280003 584798020 /nfs/dbraw/zinc/79/80/20/584798020.db2.gz ZPXYPSCFFUZLNY-ZFWWWQNUSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)C1CC1 ZINC000900283472 584798280 /nfs/dbraw/zinc/79/82/80/584798280.db2.gz RXRWZGZRIPQUNY-YRGRVCCFSA-N 2 1 269.389 -0.102 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900306263 584799100 /nfs/dbraw/zinc/79/91/00/584799100.db2.gz QDQNDITXSORPFT-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900306263 584799103 /nfs/dbraw/zinc/79/91/03/584799103.db2.gz QDQNDITXSORPFT-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900306263 584799105 /nfs/dbraw/zinc/79/91/05/584799105.db2.gz QDQNDITXSORPFT-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900306261 584799118 /nfs/dbraw/zinc/79/91/18/584799118.db2.gz QDQNDITXSORPFT-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900306261 584799120 /nfs/dbraw/zinc/79/91/20/584799120.db2.gz QDQNDITXSORPFT-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900306261 584799123 /nfs/dbraw/zinc/79/91/23/584799123.db2.gz QDQNDITXSORPFT-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900306267 584799395 /nfs/dbraw/zinc/79/93/95/584799395.db2.gz QDQNDITXSORPFT-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900306267 584799397 /nfs/dbraw/zinc/79/93/97/584799397.db2.gz QDQNDITXSORPFT-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900306267 584799398 /nfs/dbraw/zinc/79/93/98/584799398.db2.gz QDQNDITXSORPFT-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+](C)CCn1ccc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)n1 ZINC000900443478 584804583 /nfs/dbraw/zinc/80/45/83/584804583.db2.gz UTHWMSWTGNVWSC-BXUZGUMPSA-N 2 1 295.387 -0.162 20 0 CBADMP C[NH+](C)CCn1ccc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)n1 ZINC000900443478 584804585 /nfs/dbraw/zinc/80/45/85/584804585.db2.gz UTHWMSWTGNVWSC-BXUZGUMPSA-N 2 1 295.387 -0.162 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000900516392 584809249 /nfs/dbraw/zinc/80/92/49/584809249.db2.gz BUWRBSFERQMWKF-WCQYABFASA-N 2 1 273.377 -0.864 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900516392 584809252 /nfs/dbraw/zinc/80/92/52/584809252.db2.gz BUWRBSFERQMWKF-WCQYABFASA-N 2 1 273.377 -0.864 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900516392 584809253 /nfs/dbraw/zinc/80/92/53/584809253.db2.gz BUWRBSFERQMWKF-WCQYABFASA-N 2 1 273.377 -0.864 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900526064 584810321 /nfs/dbraw/zinc/81/03/21/584810321.db2.gz SFVCVUOFDKPKHD-YRGRVCCFSA-N 2 1 269.389 -0.006 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000900590105 584814257 /nfs/dbraw/zinc/81/42/57/584814257.db2.gz NHYBTEJLSNPHOW-DMDPSCGWSA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000900590105 584814258 /nfs/dbraw/zinc/81/42/58/584814258.db2.gz NHYBTEJLSNPHOW-DMDPSCGWSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000900590105 584814259 /nfs/dbraw/zinc/81/42/59/584814259.db2.gz NHYBTEJLSNPHOW-DMDPSCGWSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000900590105 584814260 /nfs/dbraw/zinc/81/42/60/584814260.db2.gz NHYBTEJLSNPHOW-DMDPSCGWSA-N 2 1 255.362 -0.348 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900622902 584816862 /nfs/dbraw/zinc/81/68/62/584816862.db2.gz HGMRWECDEKEZEB-SCRDCRAPSA-N 2 1 285.388 -0.722 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900622902 584816863 /nfs/dbraw/zinc/81/68/63/584816863.db2.gz HGMRWECDEKEZEB-SCRDCRAPSA-N 2 1 285.388 -0.722 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900622902 584816864 /nfs/dbraw/zinc/81/68/64/584816864.db2.gz HGMRWECDEKEZEB-SCRDCRAPSA-N 2 1 285.388 -0.722 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900622902 584816865 /nfs/dbraw/zinc/81/68/65/584816865.db2.gz HGMRWECDEKEZEB-SCRDCRAPSA-N 2 1 285.388 -0.722 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000900630657 584817738 /nfs/dbraw/zinc/81/77/38/584817738.db2.gz OTMWKBJWFGTRDD-YRGRVCCFSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000900630657 584817740 /nfs/dbraw/zinc/81/77/40/584817740.db2.gz OTMWKBJWFGTRDD-YRGRVCCFSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000900630657 584817742 /nfs/dbraw/zinc/81/77/42/584817742.db2.gz OTMWKBJWFGTRDD-YRGRVCCFSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900686615 584821590 /nfs/dbraw/zinc/82/15/90/584821590.db2.gz NOUSHMPGQMUGLI-HIFRSBDPSA-N 2 1 298.431 -0.805 20 0 CBADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900712099 584823954 /nfs/dbraw/zinc/82/39/54/584823954.db2.gz SBOOTDMSBIKASR-SGMGOOAPSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[C@H]1CCC[N@@H+](C)C1 ZINC000900833380 584829655 /nfs/dbraw/zinc/82/96/55/584829655.db2.gz WBVMLGAYHORAJX-OBJOEFQTSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)[C@H]1CCC[NH+](C)C1 ZINC000900833380 584829657 /nfs/dbraw/zinc/82/96/57/584829657.db2.gz WBVMLGAYHORAJX-OBJOEFQTSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[C@H]1CCC[NH+](C)C1 ZINC000900833380 584829659 /nfs/dbraw/zinc/82/96/59/584829659.db2.gz WBVMLGAYHORAJX-OBJOEFQTSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900926356 584833251 /nfs/dbraw/zinc/83/32/51/584833251.db2.gz GMLQOLDFPLLGFV-ZDUSSCGKSA-N 2 1 257.378 -0.147 20 0 CBADMP COC1CC[NH+](CCNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900980534 584836338 /nfs/dbraw/zinc/83/63/38/584836338.db2.gz MGLDESSHCCRSPB-WFASDCNBSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+]1CCC[C@](O)(CC(=O)NCC[NH+]2CCC2)C1 ZINC000901181520 584853915 /nfs/dbraw/zinc/85/39/15/584853915.db2.gz SNNVTNKFPSHXMU-ZDUSSCGKSA-N 2 1 255.362 -0.345 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000901327017 584860963 /nfs/dbraw/zinc/86/09/63/584860963.db2.gz JWIRVCTXMUTWKW-YPMHNXCESA-N 2 1 257.378 -0.148 20 0 CBADMP CC1(C)C[NH2+]C[C@@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000902448141 584877010 /nfs/dbraw/zinc/87/70/10/584877010.db2.gz CYFABAJAFQESSP-NSHDSACASA-N 2 1 275.418 -0.002 20 0 CBADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCO[C@@]23CCOC3)C1 ZINC000903150711 584889329 /nfs/dbraw/zinc/88/93/29/584889329.db2.gz BAJOEIUDQYJAIZ-RWMBFGLXSA-N 2 1 256.346 -0.409 20 0 CBADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCO[C@@]23CCOC3)C1 ZINC000903150711 584889330 /nfs/dbraw/zinc/88/93/30/584889330.db2.gz BAJOEIUDQYJAIZ-RWMBFGLXSA-N 2 1 256.346 -0.409 20 0 CBADMP CN1CCOC[C@]1(CO)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000903276568 584889701 /nfs/dbraw/zinc/88/97/01/584889701.db2.gz AFXGTQMYOBWAGM-OAHLLOKOSA-N 2 1 283.416 -0.104 20 0 CBADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(CO)COCCN2C)[C@H](C)C1 ZINC000903278771 584889829 /nfs/dbraw/zinc/88/98/29/584889829.db2.gz HEFSJUHFXJPXNG-ILXRZTDVSA-N 2 1 285.432 -0.001 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)COCCN2C)CC[N@H+]1C ZINC000903284303 584890013 /nfs/dbraw/zinc/89/00/13/584890013.db2.gz ZYBZRCBZWRFZER-MCIONIFRSA-N 2 1 271.405 -0.248 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000903422444 584890253 /nfs/dbraw/zinc/89/02/53/584890253.db2.gz CYJOLQWDKJKPOY-AGIUHOORSA-N 3 1 268.405 -0.371 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000903422445 584890301 /nfs/dbraw/zinc/89/03/01/584890301.db2.gz CYJOLQWDKJKPOY-UPJWGTAASA-N 3 1 268.405 -0.371 20 0 CBADMP CON1CC[C@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000903453755 584890647 /nfs/dbraw/zinc/89/06/47/584890647.db2.gz KOETXWFKINXVJG-NEPJUHHUSA-N 2 1 268.361 -0.872 20 0 CBADMP CS(=O)(=O)NCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903469993 584891013 /nfs/dbraw/zinc/89/10/13/584891013.db2.gz YZRNEELYGCDOQE-JTQLQIEISA-N 2 1 261.391 -0.200 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000903490629 584891761 /nfs/dbraw/zinc/89/17/61/584891761.db2.gz AONVLEARFHKLQA-FMSGJZPZSA-N 3 1 267.373 -0.192 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000903494737 584891810 /nfs/dbraw/zinc/89/18/10/584891810.db2.gz MJEVPZXVFQTYKA-TZMCWYRMSA-N 2 1 296.415 -0.406 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC000903493536 584891838 /nfs/dbraw/zinc/89/18/38/584891838.db2.gz UMZYLUQIQDKBEV-WTBMIXGQSA-N 2 1 267.329 -0.913 20 0 CBADMP COC[C@@H](C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1)OC ZINC000903494695 584891901 /nfs/dbraw/zinc/89/19/01/584891901.db2.gz LBNZAJPLIFLYDB-SFTQSGBHSA-N 2 1 286.372 -0.140 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000903562911 584893301 /nfs/dbraw/zinc/89/33/01/584893301.db2.gz LEAYQCUVAIUWKS-OUAUKWLOSA-N 2 1 273.402 -0.107 20 0 CBADMP COC[C@@H]1C[NH2+]CCN1S(=O)(=O)CCC[NH+](C)C ZINC000903598233 584894393 /nfs/dbraw/zinc/89/43/93/584894393.db2.gz JWMYGONCIGASIA-NSHDSACASA-N 2 1 279.406 -0.812 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000903713614 584895395 /nfs/dbraw/zinc/89/53/95/584895395.db2.gz XQBZHSSLFPQYMJ-RFGFWPKPSA-N 2 1 297.399 -0.423 20 0 CBADMP COCC(COC)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000903713165 584895442 /nfs/dbraw/zinc/89/54/42/584895442.db2.gz GPNQMTZIVPEITH-ZDUSSCGKSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716843 584895556 /nfs/dbraw/zinc/89/55/56/584895556.db2.gz UUPQRYWKNQBTGF-HNNXBMFYSA-N 3 1 296.459 -0.018 20 0 CBADMP CC(=O)N1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903716671 584895709 /nfs/dbraw/zinc/89/57/09/584895709.db2.gz BNJSFUAOQDFMOP-ZIAGYGMSSA-N 2 1 267.373 -0.081 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716845 584895717 /nfs/dbraw/zinc/89/57/17/584895717.db2.gz UUPQRYWKNQBTGF-OAHLLOKOSA-N 3 1 296.459 -0.018 20 0 CBADMP NC(=O)[C@@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903726035 584895893 /nfs/dbraw/zinc/89/58/93/584895893.db2.gz JFHYEXGBOWPBDO-RYUDHWBXSA-N 2 1 283.372 -0.669 20 0 CBADMP NC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903726035 584895894 /nfs/dbraw/zinc/89/58/94/584895894.db2.gz JFHYEXGBOWPBDO-RYUDHWBXSA-N 2 1 283.372 -0.669 20 0 CBADMP CC[N@H+](CC(=O)NC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903724992 584895966 /nfs/dbraw/zinc/89/59/66/584895966.db2.gz UGJLDCJEHJDFJU-AAEUAGOBSA-N 2 1 255.362 -0.177 20 0 CBADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746829 584896968 /nfs/dbraw/zinc/89/69/68/584896968.db2.gz LSDCGDZWRUUICB-XJFOESAGSA-N 3 1 251.374 -0.094 20 0 CBADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746829 584896969 /nfs/dbraw/zinc/89/69/69/584896969.db2.gz LSDCGDZWRUUICB-XJFOESAGSA-N 2 1 251.374 -0.094 20 0 CBADMP CN(C)C(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903756450 584897688 /nfs/dbraw/zinc/89/76/88/584897688.db2.gz RUGYCPYMYBTXDG-VNHYZAJKSA-N 2 1 296.415 -0.883 20 0 CBADMP CN(C)C(=O)[C@@H]1CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC[NH2+]1 ZINC000903756450 584897689 /nfs/dbraw/zinc/89/76/89/584897689.db2.gz RUGYCPYMYBTXDG-VNHYZAJKSA-N 2 1 296.415 -0.883 20 0 CBADMP CC(=O)NCC[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903764710 584897958 /nfs/dbraw/zinc/89/79/58/584897958.db2.gz VGVZYFUMRZTRPG-STQMWFEESA-N 2 1 255.362 -0.177 20 0 CBADMP CC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903768652 584897991 /nfs/dbraw/zinc/89/79/91/584897991.db2.gz OHZDIXBXQWIGEC-RDBSUJKOSA-N 2 1 267.373 -0.035 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903768045 584898120 /nfs/dbraw/zinc/89/81/20/584898120.db2.gz PWBUHZQDMXIZJI-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP NC(=O)C[C@@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903775174 584898988 /nfs/dbraw/zinc/89/89/88/584898988.db2.gz ILVLSEAPMXBREU-CHWSQXEVSA-N 2 1 297.399 -0.279 20 0 CBADMP NC(=O)C[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903775174 584898989 /nfs/dbraw/zinc/89/89/89/584898989.db2.gz ILVLSEAPMXBREU-CHWSQXEVSA-N 2 1 297.399 -0.279 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@H]2C1=O ZINC000903777908 584899310 /nfs/dbraw/zinc/89/93/10/584899310.db2.gz HFTDTFCWTGUBDJ-OHTBPHCPSA-N 2 1 293.367 -0.698 20 0 CBADMP CC[N@@H+](CCC(N)=O)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903786210 584899694 /nfs/dbraw/zinc/89/96/94/584899694.db2.gz GGPIFJJDGMOGSB-YPMHNXCESA-N 2 1 255.362 -0.048 20 0 CBADMP O=S1(=O)CCCN1CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788734 584899699 /nfs/dbraw/zinc/89/96/99/584899699.db2.gz PGYINWXHVRZNIM-NWDGAFQWSA-N 2 1 273.402 -0.437 20 0 CBADMP O=S1(=O)CCCN1CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788734 584899700 /nfs/dbraw/zinc/89/97/00/584899700.db2.gz PGYINWXHVRZNIM-NWDGAFQWSA-N 2 1 273.402 -0.437 20 0 CBADMP OCC[C@@H]1COCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903829937 584901157 /nfs/dbraw/zinc/90/11/57/584901157.db2.gz OMSSVZRJALDIJM-MCIONIFRSA-N 2 1 270.373 -0.162 20 0 CBADMP OCC[C@@H]1COCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903829937 584901159 /nfs/dbraw/zinc/90/11/59/584901159.db2.gz OMSSVZRJALDIJM-MCIONIFRSA-N 2 1 270.373 -0.162 20 0 CBADMP OCC[C@@H]1COCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903829429 584901177 /nfs/dbraw/zinc/90/11/77/584901177.db2.gz GPYSHPJLMSNFAL-VXGBXAGGSA-N 2 1 256.346 -0.552 20 0 CBADMP OCC[C@@H]1COCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903829429 584901178 /nfs/dbraw/zinc/90/11/78/584901178.db2.gz GPYSHPJLMSNFAL-VXGBXAGGSA-N 2 1 256.346 -0.552 20 0 CBADMP OCC[C@H]1COCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903829428 584901206 /nfs/dbraw/zinc/90/12/06/584901206.db2.gz GPYSHPJLMSNFAL-RYUDHWBXSA-N 2 1 256.346 -0.552 20 0 CBADMP OCC[C@H]1COCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903829428 584901208 /nfs/dbraw/zinc/90/12/08/584901208.db2.gz GPYSHPJLMSNFAL-RYUDHWBXSA-N 2 1 256.346 -0.552 20 0 CBADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903830147 584901353 /nfs/dbraw/zinc/90/13/53/584901353.db2.gz USZKYEOKZYDWJU-RWMBFGLXSA-N 2 1 268.357 -0.145 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000903843285 584901889 /nfs/dbraw/zinc/90/18/89/584901889.db2.gz HLCDENOTLGSBBN-AVGNSLFASA-N 3 1 266.389 -0.380 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC(=O)N1CCNCC1)C2 ZINC000903843285 584901890 /nfs/dbraw/zinc/90/18/90/584901890.db2.gz HLCDENOTLGSBBN-AVGNSLFASA-N 2 1 266.389 -0.380 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(=O)N1CCNCC1)C2 ZINC000903843285 584901892 /nfs/dbraw/zinc/90/18/92/584901892.db2.gz HLCDENOTLGSBBN-AVGNSLFASA-N 2 1 266.389 -0.380 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000903869617 584902806 /nfs/dbraw/zinc/90/28/06/584902806.db2.gz IXCUVOFSTABFSV-HNNXBMFYSA-N 2 1 280.416 -0.022 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903872762 584902870 /nfs/dbraw/zinc/90/28/70/584902870.db2.gz BVZOZOIWAXHQQY-RYUDHWBXSA-N 2 1 292.387 -0.100 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903872762 584902871 /nfs/dbraw/zinc/90/28/71/584902871.db2.gz BVZOZOIWAXHQQY-RYUDHWBXSA-N 2 1 292.387 -0.100 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903872760 584902937 /nfs/dbraw/zinc/90/29/37/584902937.db2.gz BVZOZOIWAXHQQY-NEPJUHHUSA-N 2 1 292.387 -0.100 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903872760 584902938 /nfs/dbraw/zinc/90/29/38/584902938.db2.gz BVZOZOIWAXHQQY-NEPJUHHUSA-N 2 1 292.387 -0.100 20 0 CBADMP CC[C@H]1C(=O)NCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000903883413 584903785 /nfs/dbraw/zinc/90/37/85/584903785.db2.gz VPTYAKFYGJUMCF-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CC(C)(CO)CO)cnn1C ZINC000903895468 584904135 /nfs/dbraw/zinc/90/41/35/584904135.db2.gz OGXOZJNZQWMRJT-CYBMUJFWSA-N 2 1 298.431 -0.231 20 0 CBADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)CC(C)(CO)CO)cnn1C ZINC000903895468 584904136 /nfs/dbraw/zinc/90/41/36/584904136.db2.gz OGXOZJNZQWMRJT-CYBMUJFWSA-N 2 1 298.431 -0.231 20 0 CBADMP CNC(=O)[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903903964 584904373 /nfs/dbraw/zinc/90/43/73/584904373.db2.gz YTRIQKXCJICPFE-WVMKXHBISA-N 2 1 267.373 -0.036 20 0 CBADMP NS(=O)(=O)[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903908919 584904463 /nfs/dbraw/zinc/90/44/63/584904463.db2.gz PYSPBJHPYYXBIP-FGNRJIRKSA-N 2 1 273.402 -0.120 20 0 CBADMP [NH3+]CC(F)(F)CNCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903918536 584904718 /nfs/dbraw/zinc/90/47/18/584904718.db2.gz BAFQMUNUZYYPEG-SECBINFHSA-N 2 1 274.319 -0.114 20 0 CBADMP O=C(C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)NCC1CC1 ZINC000903926540 584904808 /nfs/dbraw/zinc/90/48/08/584904808.db2.gz LYZPEUDXTZYHBR-GFCCVEGCSA-N 2 1 292.387 -0.182 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cn(C)nn1)C2 ZINC000903978227 584905525 /nfs/dbraw/zinc/90/55/25/584905525.db2.gz BAMXYNROWVWINJ-CWSCBRNRSA-N 2 1 279.344 -0.473 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cn(C)nn1)C2 ZINC000903978227 584905527 /nfs/dbraw/zinc/90/55/27/584905527.db2.gz BAMXYNROWVWINJ-CWSCBRNRSA-N 2 1 279.344 -0.473 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000969170536 614093396 /nfs/dbraw/zinc/09/33/96/614093396.db2.gz SMLKQORXJZNFIA-OLZOCXBDSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000970176651 614331474 /nfs/dbraw/zinc/33/14/74/614331474.db2.gz FOWQQSYCNPOLTJ-CHWSQXEVSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000970176652 614332066 /nfs/dbraw/zinc/33/20/66/614332066.db2.gz FOWQQSYCNPOLTJ-OLZOCXBDSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)CC(N)=O)C1 ZINC000971525595 614340472 /nfs/dbraw/zinc/34/04/72/614340472.db2.gz PDLUSAUWXBHYAO-CHWSQXEVSA-N 2 1 296.415 -0.123 20 0 CBADMP CCN(C(=O)C12CC[NH+](CC1)C2)C1C[NH+](CCCO)C1 ZINC000957280856 614564518 /nfs/dbraw/zinc/56/45/18/614564518.db2.gz SJVHAXYIQVFBTQ-UHFFFAOYSA-N 2 1 281.400 -0.003 20 0 CBADMP CCN(C(=O)C12CC[NH+](CC1)C2)C1C[NH+](C[C@H](C)O)C1 ZINC000957280588 614564907 /nfs/dbraw/zinc/56/49/07/614564907.db2.gz LKWLOPAMBVTDGU-LBPRGKRZSA-N 2 1 281.400 -0.004 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000969675233 614668151 /nfs/dbraw/zinc/66/81/51/614668151.db2.gz RNZMBCSBMSWAPP-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000961663710 615081726 /nfs/dbraw/zinc/08/17/26/615081726.db2.gz PLRUIPFDBAGXFN-HTAVTVPLSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000961663710 615081728 /nfs/dbraw/zinc/08/17/28/615081728.db2.gz PLRUIPFDBAGXFN-HTAVTVPLSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C2C[NH+](CCO)C2)C1 ZINC000970905165 615172072 /nfs/dbraw/zinc/17/20/72/615172072.db2.gz ULZZWKHYJRWDCJ-DGCLKSJQSA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C2C[NH+](CCO)C2)C1 ZINC000970905165 615172073 /nfs/dbraw/zinc/17/20/73/615172073.db2.gz ULZZWKHYJRWDCJ-DGCLKSJQSA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C2C[NH+](CCCO)C2)C1 ZINC000970904317 615172138 /nfs/dbraw/zinc/17/21/38/615172138.db2.gz OJWJSCVKHWHRAN-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C2C[NH+](CCCO)C2)C1 ZINC000970904317 615172139 /nfs/dbraw/zinc/17/21/39/615172139.db2.gz OJWJSCVKHWHRAN-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCF)C2)C1 ZINC000970765198 615181970 /nfs/dbraw/zinc/18/19/70/615181970.db2.gz HHMKUEHKHBRCOS-NEPJUHHUSA-N 2 1 273.352 -0.133 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCF)C2)C1 ZINC000970765198 615181971 /nfs/dbraw/zinc/18/19/71/615181971.db2.gz HHMKUEHKHBRCOS-NEPJUHHUSA-N 2 1 273.352 -0.133 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375259 615422076 /nfs/dbraw/zinc/42/20/76/615422076.db2.gz SIUFCUZUHQAGSQ-OLZOCXBDSA-N 2 1 269.389 -0.243 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)CC[N@H+]1C ZINC000968738110 615584427 /nfs/dbraw/zinc/58/44/27/615584427.db2.gz MTRFPQSIQUZLPH-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](CCO)CC1)C1CC1 ZINC000981333967 615971659 /nfs/dbraw/zinc/97/16/59/615971659.db2.gz WKCOGMTUCQEQGC-CYBMUJFWSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1)C1CC1 ZINC000971677374 615972044 /nfs/dbraw/zinc/97/20/44/615972044.db2.gz JQNDZBQUTKJZOV-CHWSQXEVSA-N 2 1 269.389 -0.148 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCO)C1)C1CC1 ZINC000971677377 615988392 /nfs/dbraw/zinc/98/83/92/615988392.db2.gz JQNDZBQUTKJZOV-STQMWFEESA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000962313959 616030451 /nfs/dbraw/zinc/03/04/51/616030451.db2.gz VHPSVGOHKXULIU-IMRBUKKESA-N 2 1 290.367 -0.200 20 0 CBADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000962313959 616030453 /nfs/dbraw/zinc/03/04/53/616030453.db2.gz VHPSVGOHKXULIU-IMRBUKKESA-N 2 1 290.367 -0.200 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC000971715009 616055067 /nfs/dbraw/zinc/05/50/67/616055067.db2.gz CILPBKFVCWPDKD-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC000971715009 616055068 /nfs/dbraw/zinc/05/50/68/616055068.db2.gz CILPBKFVCWPDKD-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000971715009 616055069 /nfs/dbraw/zinc/05/50/69/616055069.db2.gz CILPBKFVCWPDKD-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000971715009 616055070 /nfs/dbraw/zinc/05/50/70/616055070.db2.gz CILPBKFVCWPDKD-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971204702 616055608 /nfs/dbraw/zinc/05/56/08/616055608.db2.gz NQVSLGDJJLACPJ-QWRGUYRKSA-N 2 1 268.361 -0.901 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971204702 616055609 /nfs/dbraw/zinc/05/56/09/616055609.db2.gz NQVSLGDJJLACPJ-QWRGUYRKSA-N 2 1 268.361 -0.901 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000971204702 616055610 /nfs/dbraw/zinc/05/56/10/616055610.db2.gz NQVSLGDJJLACPJ-QWRGUYRKSA-N 2 1 268.361 -0.901 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000971204702 616055611 /nfs/dbraw/zinc/05/56/11/616055611.db2.gz NQVSLGDJJLACPJ-QWRGUYRKSA-N 2 1 268.361 -0.901 20 0 CBADMP CN(CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000971802097 616055761 /nfs/dbraw/zinc/05/57/61/616055761.db2.gz YTGYAJNGRRUBNV-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)CCC1 ZINC000971673954 616109591 /nfs/dbraw/zinc/10/95/91/616109591.db2.gz KWROMKGGXATYCP-GFCCVEGCSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000971201085 616111083 /nfs/dbraw/zinc/11/10/83/616111083.db2.gz LJKQIVIVBBBZCX-VXGBXAGGSA-N 2 1 255.362 -0.394 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972233953 616166308 /nfs/dbraw/zinc/16/63/08/616166308.db2.gz DKXDROUGRIFGHL-GFCCVEGCSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972233953 616166309 /nfs/dbraw/zinc/16/63/09/616166309.db2.gz DKXDROUGRIFGHL-GFCCVEGCSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCF)C[C@H]2O)CC1 ZINC000958374314 616167006 /nfs/dbraw/zinc/16/70/06/616167006.db2.gz MCJAKGWPTVNJRS-CHWSQXEVSA-N 2 1 287.379 -0.293 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCF)C[C@H]2O)CC1 ZINC000958374314 616167008 /nfs/dbraw/zinc/16/70/08/616167008.db2.gz MCJAKGWPTVNJRS-CHWSQXEVSA-N 2 1 287.379 -0.293 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000978352183 616180228 /nfs/dbraw/zinc/18/02/28/616180228.db2.gz SQXRCAQDWQHGHJ-FVCCEPFGSA-N 2 1 294.399 -0.750 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000978352183 616180229 /nfs/dbraw/zinc/18/02/29/616180229.db2.gz SQXRCAQDWQHGHJ-FVCCEPFGSA-N 2 1 294.399 -0.750 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000978352183 616180230 /nfs/dbraw/zinc/18/02/30/616180230.db2.gz SQXRCAQDWQHGHJ-FVCCEPFGSA-N 2 1 294.399 -0.750 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000983326457 616212327 /nfs/dbraw/zinc/21/23/27/616212327.db2.gz PTMYRLWEQOHSPO-LPWJVIDDSA-N 2 1 294.399 -0.547 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCCN(CC(N)=O)CC1 ZINC000981369176 616213271 /nfs/dbraw/zinc/21/32/71/616213271.db2.gz FEZVUGXONNZEEC-ZDUSSCGKSA-N 2 1 296.415 -0.120 20 0 CBADMP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[NH+](CCO)CC1 ZINC000948858378 616213308 /nfs/dbraw/zinc/21/33/08/616213308.db2.gz CMZNFLNORWBLHM-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[NH+](CCO)CC1 ZINC000948858378 616213309 /nfs/dbraw/zinc/21/33/09/616213309.db2.gz CMZNFLNORWBLHM-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000957649524 616264729 /nfs/dbraw/zinc/26/47/29/616264729.db2.gz NIQYOLALZJUWJJ-GFCCVEGCSA-N 2 1 255.362 -0.535 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000957649524 616264730 /nfs/dbraw/zinc/26/47/30/616264730.db2.gz NIQYOLALZJUWJJ-GFCCVEGCSA-N 2 1 255.362 -0.535 20 0 CBADMP Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970712573 616265153 /nfs/dbraw/zinc/26/51/53/616265153.db2.gz QJERUYLZAHAPEQ-VXGBXAGGSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970712573 616265154 /nfs/dbraw/zinc/26/51/54/616265154.db2.gz QJERUYLZAHAPEQ-VXGBXAGGSA-N 2 1 292.387 -0.543 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(N)=O)C1 ZINC000969144475 616266092 /nfs/dbraw/zinc/26/60/92/616266092.db2.gz MIHBXSSGVOQPPY-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(N)=O)C1 ZINC000969144475 616266093 /nfs/dbraw/zinc/26/60/93/616266093.db2.gz MIHBXSSGVOQPPY-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(N)=O)C1 ZINC000969144475 616266094 /nfs/dbraw/zinc/26/60/94/616266094.db2.gz MIHBXSSGVOQPPY-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC(N)=O)C1 ZINC000969144475 616266095 /nfs/dbraw/zinc/26/60/95/616266095.db2.gz MIHBXSSGVOQPPY-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000977599315 616267442 /nfs/dbraw/zinc/26/74/42/616267442.db2.gz LWPMEGJCCFOPAX-MNOVXSKESA-N 2 1 282.388 -0.750 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000962592638 616267656 /nfs/dbraw/zinc/26/76/56/616267656.db2.gz SSIXVSGSRZVEGF-NDBYEHHHSA-N 2 1 267.373 -0.633 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC000962592638 616267657 /nfs/dbraw/zinc/26/76/57/616267657.db2.gz SSIXVSGSRZVEGF-NDBYEHHHSA-N 2 1 267.373 -0.633 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC000962592638 616267658 /nfs/dbraw/zinc/26/76/58/616267658.db2.gz SSIXVSGSRZVEGF-NDBYEHHHSA-N 2 1 267.373 -0.633 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cnon4)C[C@H]32)C1 ZINC000962582897 616267680 /nfs/dbraw/zinc/26/76/80/616267680.db2.gz BPXOKGRINHQHMF-XEZLXBQYSA-N 2 1 291.355 -0.432 20 0 CBADMP COCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969951234 616316257 /nfs/dbraw/zinc/31/62/57/616316257.db2.gz ZBZLYTOCKVMLSR-YRGRVCCFSA-N 2 1 299.415 -0.212 20 0 CBADMP COCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969951234 616316262 /nfs/dbraw/zinc/31/62/62/616316262.db2.gz ZBZLYTOCKVMLSR-YRGRVCCFSA-N 2 1 299.415 -0.212 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC000970712762 616363416 /nfs/dbraw/zinc/36/34/16/616363416.db2.gz RMZVBROKJHZKBX-QWHCGFSZSA-N 2 1 294.399 -0.639 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000972730779 616389393 /nfs/dbraw/zinc/38/93/93/616389393.db2.gz AMSAYYAFGQLWIK-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000972730779 616389396 /nfs/dbraw/zinc/38/93/96/616389396.db2.gz AMSAYYAFGQLWIK-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972730779 616389399 /nfs/dbraw/zinc/38/93/99/616389399.db2.gz AMSAYYAFGQLWIK-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972730779 616389400 /nfs/dbraw/zinc/38/94/00/616389400.db2.gz AMSAYYAFGQLWIK-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC000969595217 616417684 /nfs/dbraw/zinc/41/76/84/616417684.db2.gz PJVIQIXOJGCJJT-FRRDWIJNSA-N 2 1 294.399 -0.498 20 0 CBADMP COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977956524 616462761 /nfs/dbraw/zinc/46/27/61/616462761.db2.gz OVVWCNMRJNKSLC-YIYPIFLZSA-N 2 1 297.399 -0.743 20 0 CBADMP COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977956524 616462764 /nfs/dbraw/zinc/46/27/64/616462764.db2.gz OVVWCNMRJNKSLC-YIYPIFLZSA-N 2 1 297.399 -0.743 20 0 CBADMP COCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977956524 616462766 /nfs/dbraw/zinc/46/27/66/616462766.db2.gz OVVWCNMRJNKSLC-YIYPIFLZSA-N 2 1 297.399 -0.743 20 0 CBADMP COCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977956524 616462769 /nfs/dbraw/zinc/46/27/69/616462769.db2.gz OVVWCNMRJNKSLC-YIYPIFLZSA-N 2 1 297.399 -0.743 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958415449 616467641 /nfs/dbraw/zinc/46/76/41/616467641.db2.gz VEYBZNKNTAGEIZ-QNWHQSFQSA-N 2 1 267.373 -0.227 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000958415449 616467643 /nfs/dbraw/zinc/46/76/43/616467643.db2.gz VEYBZNKNTAGEIZ-QNWHQSFQSA-N 2 1 267.373 -0.227 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC000958415449 616467645 /nfs/dbraw/zinc/46/76/45/616467645.db2.gz VEYBZNKNTAGEIZ-QNWHQSFQSA-N 2 1 267.373 -0.227 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944919735 616623279 /nfs/dbraw/zinc/62/32/79/616623279.db2.gz QGUDLHKOOQFVMJ-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977918514 616639932 /nfs/dbraw/zinc/63/99/32/616639932.db2.gz HTPYWHAVEITPEP-FVCCEPFGSA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000977918514 616639938 /nfs/dbraw/zinc/63/99/38/616639938.db2.gz HTPYWHAVEITPEP-FVCCEPFGSA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000977918514 616639942 /nfs/dbraw/zinc/63/99/42/616639942.db2.gz HTPYWHAVEITPEP-FVCCEPFGSA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000961790594 616641476 /nfs/dbraw/zinc/64/14/76/616641476.db2.gz REWKWMLTWCUJGX-FJJYHAOUSA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000961790594 616641479 /nfs/dbraw/zinc/64/14/79/616641479.db2.gz REWKWMLTWCUJGX-FJJYHAOUSA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000961790594 616641482 /nfs/dbraw/zinc/64/14/82/616641482.db2.gz REWKWMLTWCUJGX-FJJYHAOUSA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000961790594 616641486 /nfs/dbraw/zinc/64/14/86/616641486.db2.gz REWKWMLTWCUJGX-FJJYHAOUSA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC000961771781 616641647 /nfs/dbraw/zinc/64/16/47/616641647.db2.gz LUPMSQKRXJWXCG-UUIJZJDISA-N 2 1 294.399 -0.737 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC000961771781 616641649 /nfs/dbraw/zinc/64/16/49/616641649.db2.gz LUPMSQKRXJWXCG-UUIJZJDISA-N 2 1 294.399 -0.737 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000961771781 616641651 /nfs/dbraw/zinc/64/16/51/616641651.db2.gz LUPMSQKRXJWXCG-UUIJZJDISA-N 2 1 294.399 -0.737 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000961771781 616641655 /nfs/dbraw/zinc/64/16/55/616641655.db2.gz LUPMSQKRXJWXCG-UUIJZJDISA-N 2 1 294.399 -0.737 20 0 CBADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](O)COCCOC)C1 ZINC000234369804 656114659 /nfs/dbraw/zinc/11/46/59/656114659.db2.gz IXKJKHTWXDDYCT-CHWSQXEVSA-N 2 1 260.378 -0.058 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C)C1CC[NH2+]CC1 ZINC000311033683 656145221 /nfs/dbraw/zinc/14/52/21/656145221.db2.gz NTULXYAHKDYRJN-ZDUSSCGKSA-N 2 1 259.394 -0.391 20 0 CBADMP C[C@H]1[C@H](NC(=O)NCCOCC[NH+](C)C)CC[N@H+]1C ZINC000922145262 658009265 /nfs/dbraw/zinc/00/92/65/658009265.db2.gz SFSKYMPLVUNHMS-NWDGAFQWSA-N 2 1 272.393 -0.044 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923456709 658286849 /nfs/dbraw/zinc/28/68/49/658286849.db2.gz FBMSMYCMGNUYTJ-BFHYXJOUSA-N 2 1 271.405 -0.391 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923485223 658303967 /nfs/dbraw/zinc/30/39/67/658303967.db2.gz QWSIWFBLTXSJJY-NSHDSACASA-N 2 1 271.361 -0.321 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923484670 658304115 /nfs/dbraw/zinc/30/41/15/658304115.db2.gz AIRODVJQTCOYKO-GXTWGEPZSA-N 2 1 296.415 -0.264 20 0 CBADMP [NH3+]CC[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000923482293 658305327 /nfs/dbraw/zinc/30/53/27/658305327.db2.gz DDMBAVNQRIYBQX-GFCCVEGCSA-N 3 1 254.378 -0.521 20 0 CBADMP [NH3+]CC[C@@H]1CC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000923482293 658305339 /nfs/dbraw/zinc/30/53/39/658305339.db2.gz DDMBAVNQRIYBQX-GFCCVEGCSA-N 2 1 254.378 -0.521 20 0 CBADMP [NH3+]CC[C@@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000923482293 658305350 /nfs/dbraw/zinc/30/53/50/658305350.db2.gz DDMBAVNQRIYBQX-GFCCVEGCSA-N 2 1 254.378 -0.521 20 0 CBADMP Cc1[nH+]ccn1CCCNS(=O)(=O)C1C[NH2+]C1 ZINC000923592558 658342729 /nfs/dbraw/zinc/34/27/29/658342729.db2.gz QRDCWSPPVKJJPA-UHFFFAOYSA-N 2 1 258.347 -0.527 20 0 CBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)C1C[NH2+]C1 ZINC000923622398 658357421 /nfs/dbraw/zinc/35/74/21/658357421.db2.gz XOWFGOBFVVEDFQ-GHMZBOCLSA-N 2 1 273.402 -0.153 20 0 CBADMP O=S(=O)(N1CCC2(C1)CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000923638207 658369307 /nfs/dbraw/zinc/36/93/07/658369307.db2.gz DCDSMROUKDFOPC-UHFFFAOYSA-N 2 1 288.417 -0.788 20 0 CBADMP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000923641979 658370447 /nfs/dbraw/zinc/37/04/47/658370447.db2.gz BNUOYIGRFURCHS-UTUOFQBUSA-N 2 1 289.401 -0.869 20 0 CBADMP CC1(C)CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000923654764 658379338 /nfs/dbraw/zinc/37/93/38/658379338.db2.gz CUHUIONOBRRVIW-JTQLQIEISA-N 2 1 261.391 -0.248 20 0 CBADMP OCCC[N@H+]1CCC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925678130 658864865 /nfs/dbraw/zinc/86/48/65/658864865.db2.gz CNERUWYWVVMZOE-STQMWFEESA-N 2 1 257.378 -0.589 20 0 CBADMP COC(=O)c1cn(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)nn1 ZINC000925665979 658864964 /nfs/dbraw/zinc/86/49/64/658864964.db2.gz JEJFZNQZVYVXRU-STXZSOOUSA-N 2 1 291.355 -0.349 20 0 CBADMP CC1(C)[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925855599 658875071 /nfs/dbraw/zinc/87/50/71/658875071.db2.gz CXASWXNZANBWCD-WYUUTHIRSA-N 2 1 290.429 -0.242 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000928551128 659036587 /nfs/dbraw/zinc/03/65/87/659036587.db2.gz LDUIUUSRLUSBKY-RYUDHWBXSA-N 2 1 253.346 -0.473 20 0 CBADMP OC[C@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930806008 659340496 /nfs/dbraw/zinc/34/04/96/659340496.db2.gz LWCVKSDBPGBDTG-CYBMUJFWSA-N 2 1 251.330 -0.053 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931429922 659462977 /nfs/dbraw/zinc/46/29/77/659462977.db2.gz JYAJNGOCGXKEPT-OUAUKWLOSA-N 2 1 268.361 -0.286 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931429922 659463012 /nfs/dbraw/zinc/46/30/12/659463012.db2.gz JYAJNGOCGXKEPT-OUAUKWLOSA-N 2 1 268.361 -0.286 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931429922 659463026 /nfs/dbraw/zinc/46/30/26/659463026.db2.gz JYAJNGOCGXKEPT-OUAUKWLOSA-N 2 1 268.361 -0.286 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931429922 659463070 /nfs/dbraw/zinc/46/30/70/659463070.db2.gz JYAJNGOCGXKEPT-OUAUKWLOSA-N 2 1 268.361 -0.286 20 0 CBADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NC(=O)NC3CC3)C[C@@H]2C1 ZINC000931432390 659465480 /nfs/dbraw/zinc/46/54/80/659465480.db2.gz PBZAFDARGGKZGI-MNOVXSKESA-N 2 1 280.372 -0.142 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NC(=O)NC3CC3)C[C@@H]2C1 ZINC000931432390 659465494 /nfs/dbraw/zinc/46/54/94/659465494.db2.gz PBZAFDARGGKZGI-MNOVXSKESA-N 2 1 280.372 -0.142 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NC(=O)NC3CC3)C[C@@H]2C1 ZINC000931432390 659465499 /nfs/dbraw/zinc/46/54/99/659465499.db2.gz PBZAFDARGGKZGI-MNOVXSKESA-N 2 1 280.372 -0.142 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)C[C@@H]2C1 ZINC000931432390 659465504 /nfs/dbraw/zinc/46/55/04/659465504.db2.gz PBZAFDARGGKZGI-MNOVXSKESA-N 2 1 280.372 -0.142 20 0 CBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439752 659465562 /nfs/dbraw/zinc/46/55/62/659465562.db2.gz YYGFMHDEBHOFGD-MJBXVCDLSA-N 2 1 272.389 -0.106 20 0 CBADMP COCCOC[C@@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439752 659465567 /nfs/dbraw/zinc/46/55/67/659465567.db2.gz YYGFMHDEBHOFGD-MJBXVCDLSA-N 2 1 272.389 -0.106 20 0 CBADMP COCCOC[C@@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439752 659465573 /nfs/dbraw/zinc/46/55/73/659465573.db2.gz YYGFMHDEBHOFGD-MJBXVCDLSA-N 2 1 272.389 -0.106 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000063179809 656034361 /nfs/dbraw/zinc/03/43/61/656034361.db2.gz FWIAPKJODZJSEH-GFCCVEGCSA-N 2 1 282.388 -0.701 20 0 CBADMP O[C@H](CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000091669924 656058780 /nfs/dbraw/zinc/05/87/80/656058780.db2.gz HWDXRDDAWKBHDY-RBSFLKMASA-N 2 1 283.416 -0.104 20 0 CBADMP CCOC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668971 656058923 /nfs/dbraw/zinc/05/89/23/656058923.db2.gz WUNDJCQXFHYVCA-JHJVBQTASA-N 2 1 258.362 -0.163 20 0 CBADMP CCOC[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668971 656058925 /nfs/dbraw/zinc/05/89/25/656058925.db2.gz WUNDJCQXFHYVCA-JHJVBQTASA-N 2 1 258.362 -0.163 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091667912 656059210 /nfs/dbraw/zinc/05/92/10/656059210.db2.gz BNXRJKWPXBCNNV-IJLUTSLNSA-N 2 1 255.362 -0.051 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000092631712 656059653 /nfs/dbraw/zinc/05/96/53/656059653.db2.gz IRRQLUKEKCWWCD-NSHDSACASA-N 2 1 276.406 -0.838 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000132834180 656068966 /nfs/dbraw/zinc/06/89/66/656068966.db2.gz IGBISWHXHAEUQQ-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP Cn1cc(CC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000226419334 656107286 /nfs/dbraw/zinc/10/72/86/656107286.db2.gz SOTVKUXUFSLUDS-CYBMUJFWSA-N 2 1 279.388 -0.251 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000227392837 656108375 /nfs/dbraw/zinc/10/83/75/656108375.db2.gz ULQBURJLSDKKHO-SRVKXCTJSA-N 2 1 255.362 -0.097 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256332 656110821 /nfs/dbraw/zinc/11/08/21/656110821.db2.gz QWCGAEVYDLILAN-VHSXEESVSA-N 2 1 256.350 -0.109 20 0 CBADMP C[NH+](C)CCNC(=S)N1CC[NH+](CCO)CC1 ZINC000244213559 656118309 /nfs/dbraw/zinc/11/83/09/656118309.db2.gz VVQPUSQRLJGWQY-UHFFFAOYSA-N 2 1 260.407 -0.968 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250254489 656122069 /nfs/dbraw/zinc/12/20/69/656122069.db2.gz IXGATTNYYAFMCK-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)CC[C@H]1C[NH3+] ZINC000251768661 656122599 /nfs/dbraw/zinc/12/25/99/656122599.db2.gz MFZNCADMCQOQMV-NEPJUHHUSA-N 2 1 255.362 -0.238 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000252600329 656122887 /nfs/dbraw/zinc/12/28/87/656122887.db2.gz LMIDITYHLLQYSN-RNJOBUHISA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000252539987 656123001 /nfs/dbraw/zinc/12/30/01/656123001.db2.gz CBQORJXYPGISQS-SCRDCRAPSA-N 2 1 267.373 -0.035 20 0 CBADMP O[C@H](CNC[C@H]1C[N@H+]2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000252544190 656123332 /nfs/dbraw/zinc/12/33/32/656123332.db2.gz HWDXRDDAWKBHDY-ZNMIVQPWSA-N 2 1 283.416 -0.104 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000252779900 656123736 /nfs/dbraw/zinc/12/37/36/656123736.db2.gz QDKNANADYSKTHU-WOPDTQHZSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000252779900 656123737 /nfs/dbraw/zinc/12/37/37/656123737.db2.gz QDKNANADYSKTHU-WOPDTQHZSA-N 2 1 255.362 -0.097 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000261644737 656125323 /nfs/dbraw/zinc/12/53/23/656125323.db2.gz IZRBWOBMMJYATE-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000262198052 656129057 /nfs/dbraw/zinc/12/90/57/656129057.db2.gz ZRNQZFOEESPOHL-NSHDSACASA-N 2 1 270.377 -0.558 20 0 CBADMP CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000262198052 656129058 /nfs/dbraw/zinc/12/90/58/656129058.db2.gz ZRNQZFOEESPOHL-NSHDSACASA-N 2 1 270.377 -0.558 20 0 CBADMP OCC[N@@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC000262315170 656130611 /nfs/dbraw/zinc/13/06/11/656130611.db2.gz ZLOWHSWTMKOPGD-UHFFFAOYSA-N 2 1 271.405 -0.388 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH2+]CC1(C)C ZINC000311035519 656145070 /nfs/dbraw/zinc/14/50/70/656145070.db2.gz OBHSYTNBGXABKU-GFCCVEGCSA-N 2 1 259.394 -0.391 20 0 CBADMP C[NH2+]C[C@H]1CCCCN1C[C@@H](O)C[N@@H+](C)CCOC ZINC000311456047 656145438 /nfs/dbraw/zinc/14/54/38/656145438.db2.gz KOJATYKQGUZXOB-KGLIPLIRSA-N 2 1 273.421 -0.001 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000311169812 656145444 /nfs/dbraw/zinc/14/54/44/656145444.db2.gz RZFYWDUEFOTBCM-FRRDWIJNSA-N 2 1 259.394 -0.405 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000311752069 656146470 /nfs/dbraw/zinc/14/64/70/656146470.db2.gz VBYIZVACTFDCOD-MJBXVCDLSA-N 2 1 273.421 -0.015 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000311752069 656146471 /nfs/dbraw/zinc/14/64/71/656146471.db2.gz VBYIZVACTFDCOD-MJBXVCDLSA-N 2 1 273.421 -0.015 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000311752069 656146473 /nfs/dbraw/zinc/14/64/73/656146473.db2.gz VBYIZVACTFDCOD-MJBXVCDLSA-N 2 1 273.421 -0.015 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000311972167 656146488 /nfs/dbraw/zinc/14/64/88/656146488.db2.gz BIXJAZQRVLOYMD-HZSPNIEDSA-N 2 1 271.405 -0.391 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000312971240 656147380 /nfs/dbraw/zinc/14/73/80/656147380.db2.gz KMHJMUVSNVJBRX-KKUMJFAQSA-N 2 1 285.432 -0.014 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000312971240 656147381 /nfs/dbraw/zinc/14/73/81/656147381.db2.gz KMHJMUVSNVJBRX-KKUMJFAQSA-N 2 1 285.432 -0.014 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000312971240 656147382 /nfs/dbraw/zinc/14/73/82/656147382.db2.gz KMHJMUVSNVJBRX-KKUMJFAQSA-N 2 1 285.432 -0.014 20 0 CBADMP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313333750 656147697 /nfs/dbraw/zinc/14/76/97/656147697.db2.gz AHQJNQMUMYGRBR-XQQFMLRXSA-N 2 1 276.377 -0.552 20 0 CBADMP COC[C@H](C)OC[C@H](O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313333750 656147699 /nfs/dbraw/zinc/14/76/99/656147699.db2.gz AHQJNQMUMYGRBR-XQQFMLRXSA-N 2 1 276.377 -0.552 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC000353428798 656162040 /nfs/dbraw/zinc/16/20/40/656162040.db2.gz FFDOASNGSLNSGX-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC000353428798 656162042 /nfs/dbraw/zinc/16/20/42/656162042.db2.gz FFDOASNGSLNSGX-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC000353428798 656162043 /nfs/dbraw/zinc/16/20/43/656162043.db2.gz FFDOASNGSLNSGX-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000353428798 656162046 /nfs/dbraw/zinc/16/20/46/656162046.db2.gz FFDOASNGSLNSGX-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000420395009 656167396 /nfs/dbraw/zinc/16/73/96/656167396.db2.gz BIXXBYXQAWIRPS-OAHLLOKOSA-N 2 1 280.416 -0.022 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000446285703 656171751 /nfs/dbraw/zinc/17/17/51/656171751.db2.gz XOEDEDCCADWZOB-UHFFFAOYSA-N 2 1 295.412 -0.166 20 0 CBADMP CN1CCOC[C@@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000700143017 656175399 /nfs/dbraw/zinc/17/53/99/656175399.db2.gz NQEUZGHAHFEMTO-SNIKSBKOSA-N 2 1 251.374 -0.097 20 0 CBADMP C[N@H+]1C[C@@H]2CN(CCN3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702344164 656180281 /nfs/dbraw/zinc/18/02/81/656180281.db2.gz UARSFIRYTWBZPH-KGLIPLIRSA-N 2 1 252.406 -0.225 20 0 CBADMP C[N@@H+]1C[C@@H]2C[NH+](CCN3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702344164 656180283 /nfs/dbraw/zinc/18/02/83/656180283.db2.gz UARSFIRYTWBZPH-KGLIPLIRSA-N 3 1 252.406 -0.225 20 0 CBADMP C[N@H+]1C[C@@H]2C[NH+](CCN3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702344164 656180285 /nfs/dbraw/zinc/18/02/85/656180285.db2.gz UARSFIRYTWBZPH-KGLIPLIRSA-N 3 1 252.406 -0.225 20 0 CBADMP C[NH+]1C[C@@H]2C[N@H+](CCN3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702344164 656180289 /nfs/dbraw/zinc/18/02/89/656180289.db2.gz UARSFIRYTWBZPH-KGLIPLIRSA-N 3 1 252.406 -0.225 20 0 CBADMP C[NH+]1C[C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702344164 656180290 /nfs/dbraw/zinc/18/02/90/656180290.db2.gz UARSFIRYTWBZPH-KGLIPLIRSA-N 3 1 252.406 -0.225 20 0 CBADMP CN1C[C@@H]2C[N@H+](CCN3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702344164 656180294 /nfs/dbraw/zinc/18/02/94/656180294.db2.gz UARSFIRYTWBZPH-KGLIPLIRSA-N 2 1 252.406 -0.225 20 0 CBADMP CN1C[C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702344164 656180297 /nfs/dbraw/zinc/18/02/97/656180297.db2.gz UARSFIRYTWBZPH-KGLIPLIRSA-N 2 1 252.406 -0.225 20 0 CBADMP C[N@H+]1C[C@@H]2CN(S(=O)(=O)C3C[NH2+]C3)C[C@]2(C)C1 ZINC000702395729 656180646 /nfs/dbraw/zinc/18/06/46/656180646.db2.gz WHODFJTVAOTJQU-KOLCDFICSA-N 2 1 259.375 -0.829 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000702415512 656180825 /nfs/dbraw/zinc/18/08/25/656180825.db2.gz BMSPCKFIGOBGAS-AGIUHOORSA-N 2 1 268.405 -0.182 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000702424652 656181422 /nfs/dbraw/zinc/18/14/22/656181422.db2.gz ZCTOAGALRHJOFH-SDDRHHMPSA-N 2 1 254.378 -0.382 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000702422982 656181495 /nfs/dbraw/zinc/18/14/95/656181495.db2.gz VNCVNSAQSGDESV-STQMWFEESA-N 2 1 284.404 -0.802 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000702424655 656181555 /nfs/dbraw/zinc/18/15/55/656181555.db2.gz ZCTOAGALRHJOFH-SRVKXCTJSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000702952803 656182495 /nfs/dbraw/zinc/18/24/95/656182495.db2.gz JBFUFPQYCGKPHC-GRYCIOLGSA-N 2 1 275.418 -0.145 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000702952803 656182497 /nfs/dbraw/zinc/18/24/97/656182497.db2.gz JBFUFPQYCGKPHC-GRYCIOLGSA-N 2 1 275.418 -0.145 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000703153687 656183152 /nfs/dbraw/zinc/18/31/52/656183152.db2.gz RCPYMTQHLFWJIF-KKOKHZNYSA-N 2 1 269.345 -0.918 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC000706632620 656188334 /nfs/dbraw/zinc/18/83/34/656188334.db2.gz ZQQMGLIFORAKNA-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC000706632620 656188335 /nfs/dbraw/zinc/18/83/35/656188335.db2.gz ZQQMGLIFORAKNA-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP O=C(CCC1C[NH2+]C1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000709443197 656195690 /nfs/dbraw/zinc/19/56/90/656195690.db2.gz CDWPVGJZHNEUMB-STQMWFEESA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(CCC1C[NH2+]C1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000709443193 656195754 /nfs/dbraw/zinc/19/57/54/656195754.db2.gz CDWPVGJZHNEUMB-QWHCGFSZSA-N 2 1 267.373 -0.035 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710571413 656198678 /nfs/dbraw/zinc/19/86/78/656198678.db2.gz VAJYZLKCTFXIBR-JTQLQIEISA-N 2 1 286.376 -0.781 20 0 CBADMP COCCCNC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710570800 656198899 /nfs/dbraw/zinc/19/88/99/656198899.db2.gz OIUPZAORGLDLDW-UHFFFAOYSA-N 2 1 287.404 -0.472 20 0 CBADMP COC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C)C2)C[NH2+]CCO1 ZINC000710755082 656201006 /nfs/dbraw/zinc/20/10/06/656201006.db2.gz KZVDDPWCKSVNCY-AAEUAGOBSA-N 2 1 271.361 -0.941 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000710782145 656201582 /nfs/dbraw/zinc/20/15/82/656201582.db2.gz GTJIPLRVTROCDB-TZMCWYRMSA-N 2 1 285.388 -0.551 20 0 CBADMP C[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[NH2+]CCO1 ZINC000710784235 656201838 /nfs/dbraw/zinc/20/18/38/656201838.db2.gz QGEKEUBNVKGTBM-OUCADQQQSA-N 2 1 283.372 -0.656 20 0 CBADMP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[NH2+]CCO1 ZINC000710789906 656203008 /nfs/dbraw/zinc/20/30/08/656203008.db2.gz QTCOWUWWMZHWMI-SCRDCRAPSA-N 2 1 285.388 -0.410 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711396130 656208325 /nfs/dbraw/zinc/20/83/25/656208325.db2.gz RXBODCQEJFINND-NSHDSACASA-N 2 1 257.378 -0.074 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000715874777 656220868 /nfs/dbraw/zinc/22/08/68/656220868.db2.gz MARFAWBQQRXEKM-CYBMUJFWSA-N 2 1 253.346 -0.735 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C2OCCO2)C1 ZINC000719025949 656234293 /nfs/dbraw/zinc/23/42/93/656234293.db2.gz VHIKSIIQXWPSAC-NWDGAFQWSA-N 2 1 258.362 -0.006 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C2OCCO2)C1 ZINC000719025949 656234299 /nfs/dbraw/zinc/23/42/99/656234299.db2.gz VHIKSIIQXWPSAC-NWDGAFQWSA-N 2 1 258.362 -0.006 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719025949 656234302 /nfs/dbraw/zinc/23/43/02/656234302.db2.gz VHIKSIIQXWPSAC-NWDGAFQWSA-N 2 1 258.362 -0.006 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000719025949 656234304 /nfs/dbraw/zinc/23/43/04/656234304.db2.gz VHIKSIIQXWPSAC-NWDGAFQWSA-N 2 1 258.362 -0.006 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884908799 656257715 /nfs/dbraw/zinc/25/77/15/656257715.db2.gz FAXXAOCLTVJGKL-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H]1CC[NH+]1CC ZINC000890065956 656269649 /nfs/dbraw/zinc/26/96/49/656269649.db2.gz OJMNRVHDDKNDQY-GFCCVEGCSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[NH+](CCO)CCNC(=O)NC[C@H]1CC[N@@H+]1CC ZINC000890065956 656269651 /nfs/dbraw/zinc/26/96/51/656269651.db2.gz OJMNRVHDDKNDQY-GFCCVEGCSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[NH+](CCO)CCNC(=O)NC[C@H]1CC[N@H+]1CC ZINC000890065956 656269653 /nfs/dbraw/zinc/26/96/53/656269653.db2.gz OJMNRVHDDKNDQY-GFCCVEGCSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000890066191 656270424 /nfs/dbraw/zinc/27/04/24/656270424.db2.gz QFZXSDFJIOATAI-DGCLKSJQSA-N 2 1 272.393 -0.308 20 0 CBADMP CC[N@@H+]1[C@H](C)CN(c2nc(N)[nH+]c(N)n2)C[C@@H]1C ZINC000895101955 656279227 /nfs/dbraw/zinc/27/92/27/656279227.db2.gz PRDXDOXOEDWZPV-OCAPTIKFSA-N 2 1 251.338 -0.045 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000896621696 656290758 /nfs/dbraw/zinc/29/07/58/656290758.db2.gz XBAJOTIDLSINMH-RDBSUJKOSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000896621696 656290762 /nfs/dbraw/zinc/29/07/62/656290762.db2.gz XBAJOTIDLSINMH-RDBSUJKOSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000896621696 656290765 /nfs/dbraw/zinc/29/07/65/656290765.db2.gz XBAJOTIDLSINMH-RDBSUJKOSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CC(N3CC[C@@H](O)C3)C2)C1 ZINC000897463755 656293444 /nfs/dbraw/zinc/29/34/44/656293444.db2.gz IFCDNBQBUUUAIW-TZMCWYRMSA-N 2 1 296.415 -0.211 20 0 CBADMP C[C@@H]1CC[N@H+](CCNC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000897463755 656293449 /nfs/dbraw/zinc/29/34/49/656293449.db2.gz IFCDNBQBUUUAIW-TZMCWYRMSA-N 2 1 296.415 -0.211 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000897463755 656293453 /nfs/dbraw/zinc/29/34/53/656293453.db2.gz IFCDNBQBUUUAIW-TZMCWYRMSA-N 2 1 296.415 -0.211 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000897463755 656293456 /nfs/dbraw/zinc/29/34/56/656293456.db2.gz IFCDNBQBUUUAIW-TZMCWYRMSA-N 2 1 296.415 -0.211 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000897463755 656293460 /nfs/dbraw/zinc/29/34/60/656293460.db2.gz IFCDNBQBUUUAIW-TZMCWYRMSA-N 2 1 296.415 -0.211 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000897561036 656293884 /nfs/dbraw/zinc/29/38/84/656293884.db2.gz WFSKVJFGYBUPBX-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000897561036 656293889 /nfs/dbraw/zinc/29/38/89/656293889.db2.gz WFSKVJFGYBUPBX-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000897764837 656294923 /nfs/dbraw/zinc/29/49/23/656294923.db2.gz PXTKDCGEILYRSD-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000900836996 656312505 /nfs/dbraw/zinc/31/25/05/656312505.db2.gz XWOJZCCYXXGJOK-JSGCOSHPSA-N 2 1 287.404 -0.474 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900836996 656312507 /nfs/dbraw/zinc/31/25/07/656312507.db2.gz XWOJZCCYXXGJOK-JSGCOSHPSA-N 2 1 287.404 -0.474 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900836996 656312509 /nfs/dbraw/zinc/31/25/09/656312509.db2.gz XWOJZCCYXXGJOK-JSGCOSHPSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(C(C)(C)CO)CC1 ZINC000901227937 656317602 /nfs/dbraw/zinc/31/76/02/656317602.db2.gz JRDGBDGDFUZJQL-DOMZBBRYSA-N 2 1 299.415 -0.643 20 0 CBADMP O=C1NCC[C@@H]1N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506566 656322280 /nfs/dbraw/zinc/32/22/80/656322280.db2.gz AXNARTNAQMLIOO-MJBXVCDLSA-N 2 1 278.400 -0.225 20 0 CBADMP CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904329720 656324948 /nfs/dbraw/zinc/32/49/48/656324948.db2.gz RTQKSAIDHXFACE-OUAUKWLOSA-N 2 1 261.391 -0.263 20 0 CBADMP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C[C@H]21 ZINC000904378963 656326278 /nfs/dbraw/zinc/32/62/78/656326278.db2.gz NYOPJMBXMLTLKX-MJDLHHQISA-N 2 1 274.386 -0.533 20 0 CBADMP C[C@@]1(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC[NH2+]C1 ZINC000904428608 656326902 /nfs/dbraw/zinc/32/69/02/656326902.db2.gz NANRDNKZZCZAAI-GHMZBOCLSA-N 2 1 261.391 -0.404 20 0 CBADMP C[C@@]1(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)CC[NH2+]C1 ZINC000904428611 656326926 /nfs/dbraw/zinc/32/69/26/656326926.db2.gz NANRDNKZZCZAAI-WDEREUQCSA-N 2 1 261.391 -0.404 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c(=O)n(C)c1=O ZINC000904405478 656327206 /nfs/dbraw/zinc/32/72/06/656327206.db2.gz JUCZACKAJNFPGY-SNVBAGLBSA-N 2 1 266.345 -0.745 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1CS(N)(=O)=O ZINC000904462436 656327912 /nfs/dbraw/zinc/32/79/12/656327912.db2.gz JVRPJHVBGZPNSC-ZNSHCXBVSA-N 2 1 261.391 -0.420 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000904959600 656330686 /nfs/dbraw/zinc/33/06/86/656330686.db2.gz RQRXNJSOUPHZKA-OXJKWZBOSA-N 2 1 294.399 -0.655 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000904990619 656331420 /nfs/dbraw/zinc/33/14/20/656331420.db2.gz QGOLHPMDCHHXME-XHDPSFHLSA-N 2 1 296.415 -0.408 20 0 CBADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC000905058522 656336108 /nfs/dbraw/zinc/33/61/08/656336108.db2.gz BMFHNSQADRIELG-CYBMUJFWSA-N 2 1 272.389 -0.037 20 0 CBADMP COCC[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC000905058523 656336568 /nfs/dbraw/zinc/33/65/68/656336568.db2.gz BMFHNSQADRIELG-ZDUSSCGKSA-N 2 1 272.389 -0.037 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@](C)(O)C(F)F)CC1 ZINC000905108466 656338882 /nfs/dbraw/zinc/33/88/82/656338882.db2.gz AJVBZRYPKVSUPJ-LBPRGKRZSA-N 2 1 279.331 -0.244 20 0 CBADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)C1(O)CCC1 ZINC000905343290 656350703 /nfs/dbraw/zinc/35/07/03/656350703.db2.gz YQEQMMKVSSTEDK-QWHCGFSZSA-N 2 1 272.389 -0.301 20 0 CBADMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000905345535 656351471 /nfs/dbraw/zinc/35/14/71/656351471.db2.gz NLSQVERHYSUXKD-STQMWFEESA-N 2 1 274.405 -0.198 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)C[C@H](O)c1ccccc1 ZINC000905355057 656352628 /nfs/dbraw/zinc/35/26/28/656352628.db2.gz RJEUECDWNVTWIL-RDBSUJKOSA-N 2 1 268.357 -0.359 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1)C1CC1 ZINC000905465372 656359160 /nfs/dbraw/zinc/35/91/60/656359160.db2.gz LCPWDWCMYUMHTO-DOERSZECSA-N 2 1 272.389 -0.305 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1)C1CC1 ZINC000905465372 656359163 /nfs/dbraw/zinc/35/91/63/656359163.db2.gz LCPWDWCMYUMHTO-DOERSZECSA-N 2 1 272.389 -0.305 20 0 CBADMP CCO[C@@H](C[NH2+]CCC(=O)NC(N)=O)C[NH+](C)C ZINC000905581059 656362681 /nfs/dbraw/zinc/36/26/81/656362681.db2.gz SCXDEJSPVAIXEP-VIFPVBQESA-N 2 1 260.338 -0.872 20 0 CBADMP O[C@@H](C[NH2+]CCO[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000905606164 656363546 /nfs/dbraw/zinc/36/35/46/656363546.db2.gz DEJDHCFPASWDGT-QWHCGFSZSA-N 2 1 258.362 -0.162 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906678236 656396579 /nfs/dbraw/zinc/39/65/79/656396579.db2.gz DHKWCIBUPVMZKX-GFCCVEGCSA-N 2 1 270.421 -0.064 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906872591 656404156 /nfs/dbraw/zinc/40/41/56/656404156.db2.gz MFPKSCHZIZFBNJ-CYBMUJFWSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906872591 656404161 /nfs/dbraw/zinc/40/41/61/656404161.db2.gz MFPKSCHZIZFBNJ-CYBMUJFWSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906872591 656404167 /nfs/dbraw/zinc/40/41/67/656404167.db2.gz MFPKSCHZIZFBNJ-CYBMUJFWSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996300191 656407688 /nfs/dbraw/zinc/40/76/88/656407688.db2.gz KDLDJBBHLFQFHG-NEPJUHHUSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@@H]1CN(C)CCO1 ZINC000907071394 656420598 /nfs/dbraw/zinc/42/05/98/656420598.db2.gz QMTZPAFJERGRAT-OCCSQVGLSA-N 2 1 298.431 -0.685 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996610789 656446609 /nfs/dbraw/zinc/44/66/09/656446609.db2.gz KNKOKGMNNXWRPB-RYUDHWBXSA-N 2 1 269.389 -0.243 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996627170 656447060 /nfs/dbraw/zinc/44/70/60/656447060.db2.gz WZECBBAKGFPNJE-NSHDSACASA-N 2 1 293.371 -0.497 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC000996802700 656457497 /nfs/dbraw/zinc/45/74/97/656457497.db2.gz SFWKOSOZBCQGFL-NSHDSACASA-N 2 1 293.371 -0.354 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996993839 656463574 /nfs/dbraw/zinc/46/35/74/656463574.db2.gz GCCPNBNBESFBHF-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H]([NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1)C(N)=O ZINC000997008006 656463673 /nfs/dbraw/zinc/46/36/73/656463673.db2.gz SVSWAPVATGKIHB-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997007884 656463719 /nfs/dbraw/zinc/46/37/19/656463719.db2.gz RGIMMFSCFWZVLJ-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000996996990 656463815 /nfs/dbraw/zinc/46/38/15/656463815.db2.gz BBYDBHVCHGSCNH-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H](O)C[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000997094915 656466036 /nfs/dbraw/zinc/46/60/36/656466036.db2.gz WFDRUGRHSSKEPI-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]([NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC000997179916 656469393 /nfs/dbraw/zinc/46/93/93/656469393.db2.gz MBSOYBTWWYTDQO-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997183352 656469559 /nfs/dbraw/zinc/46/95/59/656469559.db2.gz JPWQLJMCGKXUFZ-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000907386530 656498648 /nfs/dbraw/zinc/49/86/48/656498648.db2.gz DXVRHEICTUGIQQ-UONOGXRCSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000907386530 656498650 /nfs/dbraw/zinc/49/86/50/656498650.db2.gz DXVRHEICTUGIQQ-UONOGXRCSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000907386530 656498651 /nfs/dbraw/zinc/49/86/51/656498651.db2.gz DXVRHEICTUGIQQ-UONOGXRCSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+](C)CCn1nccc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000907389309 656499642 /nfs/dbraw/zinc/49/96/42/656499642.db2.gz RSYDEHJAGKGNIF-AWEZNQCLSA-N 2 1 295.387 -0.759 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000907448490 656508675 /nfs/dbraw/zinc/50/86/75/656508675.db2.gz OGRDWQAEGICSQD-OCCSQVGLSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907448490 656508686 /nfs/dbraw/zinc/50/86/86/656508686.db2.gz OGRDWQAEGICSQD-OCCSQVGLSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907448490 656508704 /nfs/dbraw/zinc/50/87/04/656508704.db2.gz OGRDWQAEGICSQD-OCCSQVGLSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCO ZINC000907543319 656522598 /nfs/dbraw/zinc/52/25/98/656522598.db2.gz CXPMZQBZZAZADE-LBPRGKRZSA-N 2 1 267.373 -0.393 20 0 CBADMP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCO ZINC000907543319 656522601 /nfs/dbraw/zinc/52/26/01/656522601.db2.gz CXPMZQBZZAZADE-LBPRGKRZSA-N 2 1 267.373 -0.393 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC[N@@H+]1CCO ZINC000907542278 656523639 /nfs/dbraw/zinc/52/36/39/656523639.db2.gz BLVWLGXJLWULJN-UKRRQHHQSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC[N@H+]1CCO ZINC000907542278 656523647 /nfs/dbraw/zinc/52/36/47/656523647.db2.gz BLVWLGXJLWULJN-UKRRQHHQSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC[NH+]1CCO ZINC000907542278 656523659 /nfs/dbraw/zinc/52/36/59/656523659.db2.gz BLVWLGXJLWULJN-UKRRQHHQSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC[NH+]1CCO ZINC000907542278 656523669 /nfs/dbraw/zinc/52/36/69/656523669.db2.gz BLVWLGXJLWULJN-UKRRQHHQSA-N 2 1 299.415 -0.642 20 0 CBADMP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCO ZINC000907599536 656534424 /nfs/dbraw/zinc/53/44/24/656534424.db2.gz JQKMKTDBNUSBCP-UHFFFAOYSA-N 2 1 281.400 -0.003 20 0 CBADMP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCO ZINC000907599536 656534429 /nfs/dbraw/zinc/53/44/29/656534429.db2.gz JQKMKTDBNUSBCP-UHFFFAOYSA-N 2 1 281.400 -0.003 20 0 CBADMP CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998583202 656548630 /nfs/dbraw/zinc/54/86/30/656548630.db2.gz QNWCNEPQXUYQRB-HTAVTVPLSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998583202 656548635 /nfs/dbraw/zinc/54/86/35/656548635.db2.gz QNWCNEPQXUYQRB-HTAVTVPLSA-N 2 1 255.362 -0.084 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000907805510 656581355 /nfs/dbraw/zinc/58/13/55/656581355.db2.gz SDYDBWALBHZWSZ-CZXHOFHRSA-N 2 1 267.373 -0.539 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)C[C@H]2C1 ZINC000907805510 656581361 /nfs/dbraw/zinc/58/13/61/656581361.db2.gz SDYDBWALBHZWSZ-CZXHOFHRSA-N 2 1 267.373 -0.539 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)C[C@H]2C1 ZINC000907805510 656581370 /nfs/dbraw/zinc/58/13/70/656581370.db2.gz SDYDBWALBHZWSZ-CZXHOFHRSA-N 2 1 267.373 -0.539 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000998866449 656591102 /nfs/dbraw/zinc/59/11/02/656591102.db2.gz JKHZIRCFXXTZMY-BPCQOVAHSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC000999208226 656617364 /nfs/dbraw/zinc/61/73/64/656617364.db2.gz MFGQHECDKVWOHI-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908206963 656674881 /nfs/dbraw/zinc/67/48/81/656674881.db2.gz CZKJBBKMHZGJAK-BZPMIXESSA-N 2 1 285.388 -0.986 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908206963 656674892 /nfs/dbraw/zinc/67/48/92/656674892.db2.gz CZKJBBKMHZGJAK-BZPMIXESSA-N 2 1 285.388 -0.986 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000196795 656700770 /nfs/dbraw/zinc/70/07/70/656700770.db2.gz GRUJKRSSJFVVLA-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000908334125 656707442 /nfs/dbraw/zinc/70/74/42/656707442.db2.gz IWVBODWDQDFEHN-DZGCQCFKSA-N 2 1 297.399 -0.768 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000908334125 656707453 /nfs/dbraw/zinc/70/74/53/656707453.db2.gz IWVBODWDQDFEHN-DZGCQCFKSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C[NH+](C)C ZINC000908345621 656708769 /nfs/dbraw/zinc/70/87/69/656708769.db2.gz JMVLCAAHGJJIEO-MDZLAQPJSA-N 2 1 257.378 -0.245 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000908334127 656709113 /nfs/dbraw/zinc/70/91/13/656709113.db2.gz IWVBODWDQDFEHN-UKRRQHHQSA-N 2 1 297.399 -0.768 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000908334127 656709124 /nfs/dbraw/zinc/70/91/24/656709124.db2.gz IWVBODWDQDFEHN-UKRRQHHQSA-N 2 1 297.399 -0.768 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC2=CC[NH+](CCO)CC2)C1 ZINC001000546174 656736281 /nfs/dbraw/zinc/73/62/81/656736281.db2.gz DXKJOVKUHKMZGJ-ZDUSSCGKSA-N 2 1 283.372 -0.942 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC2=CC[NH+](CCO)CC2)C1 ZINC001000546174 656736295 /nfs/dbraw/zinc/73/62/95/656736295.db2.gz DXKJOVKUHKMZGJ-ZDUSSCGKSA-N 2 1 283.372 -0.942 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCC2=CC[N@H+](CCO)CC2)C1 ZINC001000546174 656736300 /nfs/dbraw/zinc/73/63/00/656736300.db2.gz DXKJOVKUHKMZGJ-ZDUSSCGKSA-N 2 1 283.372 -0.942 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCC2=CC[N@@H+](CCO)CC2)C1 ZINC001000546174 656736311 /nfs/dbraw/zinc/73/63/11/656736311.db2.gz DXKJOVKUHKMZGJ-ZDUSSCGKSA-N 2 1 283.372 -0.942 20 0 CBADMP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000908597525 656753419 /nfs/dbraw/zinc/75/34/19/656753419.db2.gz GDMVBRSNCUGWMY-CYBMUJFWSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000908597525 656753422 /nfs/dbraw/zinc/75/34/22/656753422.db2.gz GDMVBRSNCUGWMY-CYBMUJFWSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000686147 656759111 /nfs/dbraw/zinc/75/91/11/656759111.db2.gz ALXIIRDLWDIYGN-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001000919835 656773310 /nfs/dbraw/zinc/77/33/10/656773310.db2.gz NHBWKDZORNQCIR-PWSUYJOCSA-N 2 1 293.371 -0.354 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CC(N)=O)CC2)CC[N@H+]1C ZINC001001420081 656810511 /nfs/dbraw/zinc/81/05/11/656810511.db2.gz DSATVUQUDWZMOT-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000909439142 656813490 /nfs/dbraw/zinc/81/34/90/656813490.db2.gz ZJFRQBHRQRVVSY-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000909439142 656813492 /nfs/dbraw/zinc/81/34/92/656813492.db2.gz ZJFRQBHRQRVVSY-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000909436324 656813703 /nfs/dbraw/zinc/81/37/03/656813703.db2.gz KFLVSUMYFQHYCY-GFCCVEGCSA-N 2 1 267.373 -0.393 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000909436324 656813706 /nfs/dbraw/zinc/81/37/06/656813706.db2.gz KFLVSUMYFQHYCY-GFCCVEGCSA-N 2 1 267.373 -0.393 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001001831994 656822062 /nfs/dbraw/zinc/82/20/62/656822062.db2.gz BTUMFTNVJFWOTH-YPMHNXCESA-N 2 1 296.415 -0.502 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001002478384 656834810 /nfs/dbraw/zinc/83/48/10/656834810.db2.gz CGNZZMZUCPTATR-STQMWFEESA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001002478384 656834814 /nfs/dbraw/zinc/83/48/14/656834814.db2.gz CGNZZMZUCPTATR-STQMWFEESA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001003159878 656850176 /nfs/dbraw/zinc/85/01/76/656850176.db2.gz OQULAQRATRVTSO-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001003159878 656850180 /nfs/dbraw/zinc/85/01/80/656850180.db2.gz OQULAQRATRVTSO-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001003159889 656851516 /nfs/dbraw/zinc/85/15/16/656851516.db2.gz OQULAQRATRVTSO-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003159889 656851520 /nfs/dbraw/zinc/85/15/20/656851520.db2.gz OQULAQRATRVTSO-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCO)CC1 ZINC001003636856 656865557 /nfs/dbraw/zinc/86/55/57/656865557.db2.gz XNWWQBPDEZFVPP-DGCLKSJQSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001003637234 656866114 /nfs/dbraw/zinc/86/61/14/656866114.db2.gz ZKIBDVZHLOELIO-JQWIXIFHSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001003637234 656866116 /nfs/dbraw/zinc/86/61/16/656866116.db2.gz ZKIBDVZHLOELIO-JQWIXIFHSA-N 2 1 282.388 -0.750 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000910553503 656874012 /nfs/dbraw/zinc/87/40/12/656874012.db2.gz FQZFBRCXAWBLCL-UHFFFAOYSA-N 2 1 284.404 -0.441 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000910553503 656874015 /nfs/dbraw/zinc/87/40/15/656874015.db2.gz FQZFBRCXAWBLCL-UHFFFAOYSA-N 2 1 284.404 -0.441 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000910555624 656874773 /nfs/dbraw/zinc/87/47/73/656874773.db2.gz VFXFYRWVSVVGQF-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000910555624 656874776 /nfs/dbraw/zinc/87/47/76/656874776.db2.gz VFXFYRWVSVVGQF-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001003973873 656879036 /nfs/dbraw/zinc/87/90/36/656879036.db2.gz GREDSEXKOUQVHF-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001003973873 656879037 /nfs/dbraw/zinc/87/90/37/656879037.db2.gz GREDSEXKOUQVHF-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001004146900 656881095 /nfs/dbraw/zinc/88/10/95/656881095.db2.gz BPXWEEHPRFABJE-LLVKDONJSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004145751 656881903 /nfs/dbraw/zinc/88/19/03/656881903.db2.gz TVLRTZUZIOBTLE-WDEREUQCSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004145751 656881905 /nfs/dbraw/zinc/88/19/05/656881905.db2.gz TVLRTZUZIOBTLE-WDEREUQCSA-N 2 1 282.388 -0.608 20 0 CBADMP CCN1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000910731183 656887348 /nfs/dbraw/zinc/88/73/48/656887348.db2.gz UTQHVIOMWRSOHI-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000910731183 656887350 /nfs/dbraw/zinc/88/73/50/656887350.db2.gz UTQHVIOMWRSOHI-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000910731183 656887352 /nfs/dbraw/zinc/88/73/52/656887352.db2.gz UTQHVIOMWRSOHI-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000910731183 656887357 /nfs/dbraw/zinc/88/73/57/656887357.db2.gz UTQHVIOMWRSOHI-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCO)CC1 ZINC001005183839 656894771 /nfs/dbraw/zinc/89/47/71/656894771.db2.gz KQILYGPQNLGQOY-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP COCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001005209579 656896590 /nfs/dbraw/zinc/89/65/90/656896590.db2.gz LXRTXMFJXQUJGJ-AWEZNQCLSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001005209579 656896591 /nfs/dbraw/zinc/89/65/91/656896591.db2.gz LXRTXMFJXQUJGJ-AWEZNQCLSA-N 2 1 299.415 -0.114 20 0 CBADMP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1CCC[NH+]1C ZINC000910931034 656902802 /nfs/dbraw/zinc/90/28/02/656902802.db2.gz MVAILHIIZPGNCP-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1CCC[NH+]1C ZINC000910931034 656902807 /nfs/dbraw/zinc/90/28/07/656902807.db2.gz MVAILHIIZPGNCP-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000910931034 656902814 /nfs/dbraw/zinc/90/28/14/656902814.db2.gz MVAILHIIZPGNCP-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000910931034 656902819 /nfs/dbraw/zinc/90/28/19/656902819.db2.gz MVAILHIIZPGNCP-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000910931135 656904542 /nfs/dbraw/zinc/90/45/42/656904542.db2.gz NQIZTEQMSCDRCF-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000910931135 656904558 /nfs/dbraw/zinc/90/45/58/656904558.db2.gz NQIZTEQMSCDRCF-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP 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 656928912 /nfs/dbraw/zinc/92/89/12/656928912.db2.gz IXSCHEDDZWFYIR-NZEXEKPDSA-N 2 1 294.399 -0.406 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000911017236 656932838 /nfs/dbraw/zinc/93/28/38/656932838.db2.gz JSYCWLOZBPGNEE-DGCLKSJQSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911030106 656934754 /nfs/dbraw/zinc/93/47/54/656934754.db2.gz QJKPJTBZGVUCNZ-NWDGAFQWSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001006000201 656935704 /nfs/dbraw/zinc/93/57/04/656935704.db2.gz FGCOIIJTUKRMDO-DGCLKSJQSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001006000201 656935708 /nfs/dbraw/zinc/93/57/08/656935708.db2.gz FGCOIIJTUKRMDO-DGCLKSJQSA-N 2 1 296.415 -0.408 20 0 CBADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000911074089 656940884 /nfs/dbraw/zinc/94/08/84/656940884.db2.gz YYRWWPJJGJXJIJ-NWDGAFQWSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001006405344 656945328 /nfs/dbraw/zinc/94/53/28/656945328.db2.gz DSODHKJLLDGEFU-LBPRGKRZSA-N 2 1 296.415 -0.121 20 0 CBADMP CNC(=O)C[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001006408959 656946334 /nfs/dbraw/zinc/94/63/34/656946334.db2.gz XRVPODMXXXASFZ-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911138567 656960475 /nfs/dbraw/zinc/96/04/75/656960475.db2.gz SLKWZCMLLUPYCN-HAQNSBGRSA-N 2 1 284.404 -0.312 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911137313 656960780 /nfs/dbraw/zinc/96/07/80/656960780.db2.gz DDRGHRWUFPYPEC-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911138356 656961874 /nfs/dbraw/zinc/96/18/74/656961874.db2.gz OGPUWJKSQGHBAP-LBPRGKRZSA-N 2 1 293.371 -0.495 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000911187306 656975856 /nfs/dbraw/zinc/97/58/56/656975856.db2.gz OCAIUCLZNRCPSF-NEPJUHHUSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCO)C1 ZINC001006926869 656980990 /nfs/dbraw/zinc/98/09/90/656980990.db2.gz OAGIEVOGQVOWBK-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001006926869 656981008 /nfs/dbraw/zinc/98/10/08/656981008.db2.gz OAGIEVOGQVOWBK-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001006926869 656981016 /nfs/dbraw/zinc/98/10/16/656981016.db2.gz OAGIEVOGQVOWBK-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911212479 656986586 /nfs/dbraw/zinc/98/65/86/656986586.db2.gz ZPOBOMRKMYMDNK-NSHDSACASA-N 2 1 282.388 -0.416 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCC[NH3+] ZINC000911265236 657001808 /nfs/dbraw/zinc/00/18/08/657001808.db2.gz BNKZHZQKCHEQGW-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCC[NH3+] ZINC000911265236 657001812 /nfs/dbraw/zinc/00/18/12/657001812.db2.gz BNKZHZQKCHEQGW-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000911270058 657004702 /nfs/dbraw/zinc/00/47/02/657004702.db2.gz RHXGJTLHZQTEBS-RWMBFGLXSA-N 2 1 294.399 -0.321 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000911283242 657009495 /nfs/dbraw/zinc/00/94/95/657009495.db2.gz WFYQVRXSWAHTRL-UHFFFAOYSA-N 2 1 293.371 -0.356 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000911296264 657013352 /nfs/dbraw/zinc/01/33/52/657013352.db2.gz KYTRTXUTRYZQTC-NEPJUHHUSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000911296264 657013356 /nfs/dbraw/zinc/01/33/56/657013356.db2.gz KYTRTXUTRYZQTC-NEPJUHHUSA-N 2 1 284.404 -0.362 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000911302326 657015764 /nfs/dbraw/zinc/01/57/64/657015764.db2.gz JXWRRZYXMVGNCM-JLNYLFASSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)[C@@H]2C1 ZINC000911302326 657015770 /nfs/dbraw/zinc/01/57/70/657015770.db2.gz JXWRRZYXMVGNCM-JLNYLFASSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)[C@@H]2C1 ZINC000911302326 657015777 /nfs/dbraw/zinc/01/57/77/657015777.db2.gz JXWRRZYXMVGNCM-JLNYLFASSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCO)C2)O1 ZINC001007622130 657017004 /nfs/dbraw/zinc/01/70/04/657017004.db2.gz CROZRZNKESQEOS-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCO)C2)O1 ZINC001007622130 657017006 /nfs/dbraw/zinc/01/70/06/657017006.db2.gz CROZRZNKESQEOS-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](CCO)C2)O1 ZINC001007622130 657017009 /nfs/dbraw/zinc/01/70/09/657017009.db2.gz CROZRZNKESQEOS-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)O1 ZINC001007622130 657017011 /nfs/dbraw/zinc/01/70/11/657017011.db2.gz CROZRZNKESQEOS-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911338112 657022386 /nfs/dbraw/zinc/02/23/86/657022386.db2.gz XXFLAMIDRATPJY-RYUDHWBXSA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911338110 657023264 /nfs/dbraw/zinc/02/32/64/657023264.db2.gz XXFLAMIDRATPJY-NEPJUHHUSA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000911339686 657023872 /nfs/dbraw/zinc/02/38/72/657023872.db2.gz WSAGWWWHYYANTL-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000911339686 657023875 /nfs/dbraw/zinc/02/38/75/657023875.db2.gz WSAGWWWHYYANTL-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCNc1ccc(C)c[nH+]1 ZINC000911339696 657023990 /nfs/dbraw/zinc/02/39/90/657023990.db2.gz WUVOUGFPVDVLJL-LLVKDONJSA-N 2 1 293.371 -0.358 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCNc1ccc(C)c[nH+]1 ZINC000911339697 657024157 /nfs/dbraw/zinc/02/41/57/657024157.db2.gz WUVOUGFPVDVLJL-NSHDSACASA-N 2 1 293.371 -0.358 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000911367244 657027565 /nfs/dbraw/zinc/02/75/65/657027565.db2.gz MSXRWBGKBJUICT-FDYHWXHSSA-N 2 1 294.399 -0.737 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911369964 657028807 /nfs/dbraw/zinc/02/88/07/657028807.db2.gz JCZHCZNYLUZPGP-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000911370193 657029593 /nfs/dbraw/zinc/02/95/93/657029593.db2.gz RLXBHPNAGKFYQR-FVCCEPFGSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000911502371 657057270 /nfs/dbraw/zinc/05/72/70/657057270.db2.gz GDTCDPKMCJOIBK-NEPJUHHUSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1(C)C ZINC000911505196 657058471 /nfs/dbraw/zinc/05/84/71/657058471.db2.gz AZWOSVXNBOPKSN-UHFFFAOYSA-N 2 1 268.361 -0.854 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1(C)C ZINC000911505196 657058475 /nfs/dbraw/zinc/05/84/75/657058475.db2.gz AZWOSVXNBOPKSN-UHFFFAOYSA-N 2 1 268.361 -0.854 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911506282 657059369 /nfs/dbraw/zinc/05/93/69/657059369.db2.gz YNKQKKYDHNCACY-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506400 657060386 /nfs/dbraw/zinc/06/03/86/657060386.db2.gz MXZNEMAQGXEGNN-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC2([NH3+])CC2)C[C@H]1C ZINC000911506613 657060445 /nfs/dbraw/zinc/06/04/45/657060445.db2.gz PUTKLOXYVNLRIO-GHMZBOCLSA-N 2 1 282.388 -0.465 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC2([NH3+])CC2)C[C@H]1C ZINC000911506613 657060450 /nfs/dbraw/zinc/06/04/50/657060450.db2.gz PUTKLOXYVNLRIO-GHMZBOCLSA-N 2 1 282.388 -0.465 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)C[C@H]1C ZINC000911506335 657060753 /nfs/dbraw/zinc/06/07/53/657060753.db2.gz ZQDRYWMPIOZSCZ-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506405 657060935 /nfs/dbraw/zinc/06/09/35/657060935.db2.gz MZACCKJGEVTSRM-NEPJUHHUSA-N 2 1 294.399 -0.321 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)C(C)C ZINC000911520994 657066160 /nfs/dbraw/zinc/06/61/60/657066160.db2.gz LMGPXOLYGAQFEO-LBPRGKRZSA-N 2 1 298.431 -0.053 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911527633 657067211 /nfs/dbraw/zinc/06/72/11/657067211.db2.gz JAPMLHOFCCXDSC-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000911531474 657068665 /nfs/dbraw/zinc/06/86/65/657068665.db2.gz HIMRNVWBDCACEM-GFCCVEGCSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001009197188 657069288 /nfs/dbraw/zinc/06/92/88/657069288.db2.gz BGMZYZFPLSDBEM-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001009197188 657069292 /nfs/dbraw/zinc/06/92/92/657069292.db2.gz BGMZYZFPLSDBEM-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001009197188 657069296 /nfs/dbraw/zinc/06/92/96/657069296.db2.gz BGMZYZFPLSDBEM-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911534074 657069984 /nfs/dbraw/zinc/06/99/84/657069984.db2.gz RQKGIRLSWWWUHA-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP 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 657073880 /nfs/dbraw/zinc/07/38/80/657073880.db2.gz LRRJHPOSZUWBKZ-WUHRBBMRSA-N 2 1 294.399 -0.452 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911562395 657078672 /nfs/dbraw/zinc/07/86/72/657078672.db2.gz AZTYAOOKZOOXHU-JOCQHMNTSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911563774 657078848 /nfs/dbraw/zinc/07/88/48/657078848.db2.gz RHIMVIHLNSKGLR-IJLUTSLNSA-N 2 1 296.415 -0.171 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911563825 657080170 /nfs/dbraw/zinc/08/01/70/657080170.db2.gz STPGXKKVSUZDRY-IJLUTSLNSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001009595524 657082004 /nfs/dbraw/zinc/08/20/04/657082004.db2.gz PKHPTUYETAOORU-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001009595524 657082010 /nfs/dbraw/zinc/08/20/10/657082010.db2.gz PKHPTUYETAOORU-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001009595524 657082016 /nfs/dbraw/zinc/08/20/16/657082016.db2.gz PKHPTUYETAOORU-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001009595524 657082024 /nfs/dbraw/zinc/08/20/24/657082024.db2.gz PKHPTUYETAOORU-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702880 657110069 /nfs/dbraw/zinc/11/00/69/657110069.db2.gz RGXOTSIIOSJJMR-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N(CCO)C2CC[NH+](C)CC2)C1 ZINC000911939268 657169911 /nfs/dbraw/zinc/16/99/11/657169911.db2.gz TVHSRDWKFYJRKU-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CCO)C2CC[NH+](C)CC2)C1 ZINC000911938414 657170058 /nfs/dbraw/zinc/17/00/58/657170058.db2.gz HZYAPXQPKDUFQJ-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(CCO)C2CC[NH+](C)CC2)C1 ZINC000911938414 657170066 /nfs/dbraw/zinc/17/00/66/657170066.db2.gz HZYAPXQPKDUFQJ-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010429290 657184647 /nfs/dbraw/zinc/18/46/47/657184647.db2.gz UFCVLSFHPVDOOY-NWDGAFQWSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010429290 657184651 /nfs/dbraw/zinc/18/46/51/657184651.db2.gz UFCVLSFHPVDOOY-NWDGAFQWSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010429290 657184661 /nfs/dbraw/zinc/18/46/61/657184661.db2.gz UFCVLSFHPVDOOY-NWDGAFQWSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010429290 657184668 /nfs/dbraw/zinc/18/46/68/657184668.db2.gz UFCVLSFHPVDOOY-NWDGAFQWSA-N 2 1 255.362 -0.084 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCN(C)C[C@@H]1CO ZINC000912734700 657317460 /nfs/dbraw/zinc/31/74/60/657317460.db2.gz MRYMAFRUXLYURO-LLVKDONJSA-N 2 1 252.318 -0.674 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001014460764 657361203 /nfs/dbraw/zinc/36/12/03/657361203.db2.gz YUOPHQHFXIMYFM-STQMWFEESA-N 2 1 267.373 -0.489 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001014457101 657361813 /nfs/dbraw/zinc/36/18/13/657361813.db2.gz OZCXYOGUPZHUTE-KGLIPLIRSA-N 2 1 281.400 -0.099 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000913178993 657394219 /nfs/dbraw/zinc/39/42/19/657394219.db2.gz LLQYNEZETUZHSI-IPYPFGDCSA-N 2 1 297.399 -0.530 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000913178993 657394226 /nfs/dbraw/zinc/39/42/26/657394226.db2.gz LLQYNEZETUZHSI-IPYPFGDCSA-N 2 1 297.399 -0.530 20 0 CBADMP C[NH+]1CCC(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1 ZINC000913183957 657404843 /nfs/dbraw/zinc/40/48/43/657404843.db2.gz WLBDERMZPACLQM-CQSZACIVSA-N 2 1 285.388 -0.815 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCO)C1)C12CCC[NH+]1CCC2 ZINC001015091028 657407052 /nfs/dbraw/zinc/40/70/52/657407052.db2.gz SWDQYKOUNDFQAQ-GFCCVEGCSA-N 2 1 267.373 -0.202 20 0 CBADMP CC[C@@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)[NH+](CC)CC ZINC000913189212 657416209 /nfs/dbraw/zinc/41/62/09/657416209.db2.gz SDNNSOYAXOPCRK-GXTWGEPZSA-N 2 1 287.404 -0.426 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)[NH+](C)C ZINC000913189451 657417290 /nfs/dbraw/zinc/41/72/90/657417290.db2.gz XBVWRJLQBUBVTP-DGCLKSJQSA-N 2 1 273.377 -0.960 20 0 CBADMP C[C@@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)[NH+]1CCCCCC1 ZINC000913189376 657417525 /nfs/dbraw/zinc/41/75/25/657417525.db2.gz VQSHKWUSSQSDJD-DZGCQCFKSA-N 2 1 299.415 -0.282 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)[NH+](C)C ZINC000913189450 657418691 /nfs/dbraw/zinc/41/86/91/657418691.db2.gz XBVWRJLQBUBVTP-AAEUAGOBSA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001015598597 657470561 /nfs/dbraw/zinc/47/05/61/657470561.db2.gz BHAKQGGXXWGTAP-OLZOCXBDSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001015598597 657470577 /nfs/dbraw/zinc/47/05/77/657470577.db2.gz BHAKQGGXXWGTAP-OLZOCXBDSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001015598597 657470602 /nfs/dbraw/zinc/47/06/02/657470602.db2.gz BHAKQGGXXWGTAP-OLZOCXBDSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001015598597 657470624 /nfs/dbraw/zinc/47/06/24/657470624.db2.gz BHAKQGGXXWGTAP-OLZOCXBDSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](CCO)C1 ZINC001015705122 657524275 /nfs/dbraw/zinc/52/42/75/657524275.db2.gz IDEHYGHILOHJBA-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001015705122 657524281 /nfs/dbraw/zinc/52/42/81/657524281.db2.gz IDEHYGHILOHJBA-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001015705122 657524287 /nfs/dbraw/zinc/52/42/87/657524287.db2.gz IDEHYGHILOHJBA-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)NC12CC[NH+](CC1)C2 ZINC000913636651 657573542 /nfs/dbraw/zinc/57/35/42/657573542.db2.gz OLEHKCKAMCOFDF-UHFFFAOYSA-N 2 1 299.415 -0.064 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000913759586 657603595 /nfs/dbraw/zinc/60/35/95/657603595.db2.gz QHPWTGFPTKIBRF-BHPKHCPMSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)CC[C@H]21 ZINC000913759586 657603601 /nfs/dbraw/zinc/60/36/01/657603601.db2.gz QHPWTGFPTKIBRF-BHPKHCPMSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)CC[C@H]21 ZINC000913759586 657603604 /nfs/dbraw/zinc/60/36/04/657603604.db2.gz QHPWTGFPTKIBRF-BHPKHCPMSA-N 2 1 281.400 -0.006 20 0 CBADMP O=C(N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001016001052 657626466 /nfs/dbraw/zinc/62/64/66/657626466.db2.gz HPQBHHSAOFGHBS-NWDGAFQWSA-N 2 1 292.383 -0.839 20 0 CBADMP O=C(N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001016001052 657626471 /nfs/dbraw/zinc/62/64/71/657626471.db2.gz HPQBHHSAOFGHBS-NWDGAFQWSA-N 2 1 292.383 -0.839 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015995444 657627211 /nfs/dbraw/zinc/62/72/11/657627211.db2.gz VILHSVJRPJPLJY-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015995444 657627218 /nfs/dbraw/zinc/62/72/18/657627218.db2.gz VILHSVJRPJPLJY-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015995444 657627228 /nfs/dbraw/zinc/62/72/28/657627228.db2.gz VILHSVJRPJPLJY-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015995444 657627238 /nfs/dbraw/zinc/62/72/38/657627238.db2.gz VILHSVJRPJPLJY-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001016006333 657630043 /nfs/dbraw/zinc/63/00/43/657630043.db2.gz CJNDTTVPMBOACD-NSHDSACASA-N 2 1 278.356 -0.056 20 0 CBADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001016006332 657631366 /nfs/dbraw/zinc/63/13/66/657631366.db2.gz CJNDTTVPMBOACD-LLVKDONJSA-N 2 1 278.356 -0.056 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016251123 657670697 /nfs/dbraw/zinc/67/06/97/657670697.db2.gz SNHUTIGUJNIVJF-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016251123 657670701 /nfs/dbraw/zinc/67/07/01/657670701.db2.gz SNHUTIGUJNIVJF-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016251123 657670702 /nfs/dbraw/zinc/67/07/02/657670702.db2.gz SNHUTIGUJNIVJF-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016251123 657670703 /nfs/dbraw/zinc/67/07/03/657670703.db2.gz SNHUTIGUJNIVJF-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252554 657671579 /nfs/dbraw/zinc/67/15/79/657671579.db2.gz TZBUZUSUCSABAQ-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC23CC[NH+](CCO)CC3)C1 ZINC001016553835 657720603 /nfs/dbraw/zinc/72/06/03/657720603.db2.gz TVWQJVQCLRKEQN-QWHCGFSZSA-N 2 1 297.399 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC23CC[NH+](CCO)CC3)C1 ZINC001016553835 657720614 /nfs/dbraw/zinc/72/06/14/657720614.db2.gz TVWQJVQCLRKEQN-QWHCGFSZSA-N 2 1 297.399 -0.720 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@H+]1C ZINC000917961981 657821322 /nfs/dbraw/zinc/82/13/22/657821322.db2.gz YBEHDKLMBWWOOL-JHJVBQTASA-N 2 1 283.420 -0.376 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC[NH+]1C ZINC000917961981 657821329 /nfs/dbraw/zinc/82/13/29/657821329.db2.gz YBEHDKLMBWWOOL-JHJVBQTASA-N 2 1 283.420 -0.376 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC[NH+]1C ZINC000917961981 657821333 /nfs/dbraw/zinc/82/13/33/657821333.db2.gz YBEHDKLMBWWOOL-JHJVBQTASA-N 2 1 283.420 -0.376 20 0 CBADMP Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001018634000 657829410 /nfs/dbraw/zinc/82/94/10/657829410.db2.gz FBOSQGLOJDKJGI-AAEUAGOBSA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001018634000 657829421 /nfs/dbraw/zinc/82/94/21/657829421.db2.gz FBOSQGLOJDKJGI-AAEUAGOBSA-N 2 1 292.387 -0.400 20 0 CBADMP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001018966975 657856071 /nfs/dbraw/zinc/85/60/71/657856071.db2.gz YNDJLWHUDJWLMP-QWRGUYRKSA-N 2 1 291.355 -0.564 20 0 CBADMP C[NH+](C)CCNC(=S)NCCN1CCC[N@@H+](C)CC1 ZINC000919718613 657858003 /nfs/dbraw/zinc/85/80/03/657858003.db2.gz AMAHDMLILMPCTN-UHFFFAOYSA-N 2 1 287.477 -0.350 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001019069791 657861067 /nfs/dbraw/zinc/86/10/67/657861067.db2.gz ITSPAKUJSBXYRQ-QWRGUYRKSA-N 2 1 296.371 -0.079 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C ZINC000920420770 657874141 /nfs/dbraw/zinc/87/41/41/657874141.db2.gz AQAQQTXYBUPRQI-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP COCCC[NH+](C)CCNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000920420770 657874143 /nfs/dbraw/zinc/87/41/43/657874143.db2.gz AQAQQTXYBUPRQI-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP COCCC[NH+](C)CCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000920420770 657874145 /nfs/dbraw/zinc/87/41/45/657874145.db2.gz AQAQQTXYBUPRQI-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001019241628 657875745 /nfs/dbraw/zinc/87/57/45/657875745.db2.gz PJVIQIXOJGCJJT-RWMBFGLXSA-N 2 1 294.399 -0.498 20 0 CBADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001019259416 657877093 /nfs/dbraw/zinc/87/70/93/657877093.db2.gz HRUNTHPBDYYDTD-XQQFMLRXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019261055 657877148 /nfs/dbraw/zinc/87/71/48/657877148.db2.gz GRWWAVIIZKDJGD-AVGNSLFASA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001019258675 657877259 /nfs/dbraw/zinc/87/72/59/657877259.db2.gz MDACAZGGPPBLMV-SRVKXCTJSA-N 2 1 282.388 -0.465 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019654722 657926908 /nfs/dbraw/zinc/92/69/08/657926908.db2.gz AILXINFTNUHZHE-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001019775883 657936546 /nfs/dbraw/zinc/93/65/46/657936546.db2.gz KYXIAAKGKTWFRQ-LBPRGKRZSA-N 2 1 292.387 -0.399 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001019778188 657937835 /nfs/dbraw/zinc/93/78/35/657937835.db2.gz SLSPGTLJTLTUKP-KOLCDFICSA-N 2 1 279.344 -0.744 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001020028906 657989424 /nfs/dbraw/zinc/98/94/24/657989424.db2.gz NVQHFIYDRUVWJG-DBIOUOCHSA-N 2 1 268.361 -0.809 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001020026494 657991102 /nfs/dbraw/zinc/99/11/02/657991102.db2.gz VICZGHYFDHZYBW-NQBHXWOUSA-N 2 1 292.387 -0.354 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001020026494 657991120 /nfs/dbraw/zinc/99/11/20/657991120.db2.gz VICZGHYFDHZYBW-NQBHXWOUSA-N 2 1 292.387 -0.354 20 0 CBADMP CC(C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001020046051 657996521 /nfs/dbraw/zinc/99/65/21/657996521.db2.gz SCABDOHHCAVWDZ-IJLUTSLNSA-N 2 1 255.362 -0.038 20 0 CBADMP CC(C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001020046051 657996530 /nfs/dbraw/zinc/99/65/30/657996530.db2.gz SCABDOHHCAVWDZ-IJLUTSLNSA-N 2 1 255.362 -0.038 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CC1)CCOCCO ZINC000922117966 657999450 /nfs/dbraw/zinc/99/94/50/657999450.db2.gz YKQIQTOUKFSSCR-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1)CCOCCO ZINC000922117966 657999460 /nfs/dbraw/zinc/99/94/60/657999460.db2.gz YKQIQTOUKFSSCR-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C1CC1)CCOCCO ZINC000922117966 657999465 /nfs/dbraw/zinc/99/94/65/657999465.db2.gz YKQIQTOUKFSSCR-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CC1)CCOCCO ZINC000922117965 658000198 /nfs/dbraw/zinc/00/01/98/658000198.db2.gz YKQIQTOUKFSSCR-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)CCOCCO ZINC000922117965 658000205 /nfs/dbraw/zinc/00/02/05/658000205.db2.gz YKQIQTOUKFSSCR-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1)CCOCCO ZINC000922117965 658000213 /nfs/dbraw/zinc/00/02/13/658000213.db2.gz YKQIQTOUKFSSCR-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000922164572 658015092 /nfs/dbraw/zinc/01/50/92/658015092.db2.gz WDXBNQQWAGSTSC-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001020178871 658021190 /nfs/dbraw/zinc/02/11/90/658021190.db2.gz HQMVDZHXBSNZFF-CYDGBPFRSA-N 2 1 283.372 -0.921 20 0 CBADMP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001020178872 658021587 /nfs/dbraw/zinc/02/15/87/658021587.db2.gz HQMVDZHXBSNZFF-FDYHWXHSSA-N 2 1 283.372 -0.921 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001020214419 658026781 /nfs/dbraw/zinc/02/67/81/658026781.db2.gz SNNYANZNADZLNS-LPWJVIDDSA-N 2 1 296.415 -0.029 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020499856 658059477 /nfs/dbraw/zinc/05/94/77/658059477.db2.gz FWGILUNLWOOHAQ-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001020589140 658075624 /nfs/dbraw/zinc/07/56/24/658075624.db2.gz XTMUOYFIAFKVPT-LPWJVIDDSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020589828 658077359 /nfs/dbraw/zinc/07/73/59/658077359.db2.gz DJMIOVXUAHXKJE-IJLUTSLNSA-N 2 1 255.362 -0.443 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001020719583 658084768 /nfs/dbraw/zinc/08/47/68/658084768.db2.gz MNXUATOKEDRXLT-FDYHWXHSSA-N 2 1 294.399 -0.275 20 0 CBADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2C)CC1 ZINC000922982669 658116776 /nfs/dbraw/zinc/11/67/76/658116776.db2.gz DGHQVUYGUDCHEM-QWRGUYRKSA-N 2 1 270.377 -0.555 20 0 CBADMP C[NH+](C)C1(CNC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2C)CC1 ZINC000922982665 658118445 /nfs/dbraw/zinc/11/84/45/658118445.db2.gz DGHQVUYGUDCHEM-GHMZBOCLSA-N 2 1 270.377 -0.555 20 0 CBADMP C[NH+](C)C1(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000922985712 658119459 /nfs/dbraw/zinc/11/94/59/658119459.db2.gz HOZNIKDEUDIONC-NWDGAFQWSA-N 2 1 282.388 -0.459 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001020928874 658120281 /nfs/dbraw/zinc/12/02/81/658120281.db2.gz ONBONZNHHJROPQ-DDHJBXDOSA-N 2 1 282.388 -0.561 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001021047563 658133653 /nfs/dbraw/zinc/13/36/53/658133653.db2.gz HUNMOOBDDCHNLQ-AVGNSLFASA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001021047605 658136412 /nfs/dbraw/zinc/13/64/12/658136412.db2.gz JCNCGSLAIMMCNO-FIQHERPVSA-N 2 1 280.372 -0.937 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001021053560 658143313 /nfs/dbraw/zinc/14/33/13/658143313.db2.gz TYPDOAVMPMRQCT-IJLUTSLNSA-N 2 1 291.355 -0.683 20 0 CBADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001021080862 658147156 /nfs/dbraw/zinc/14/71/56/658147156.db2.gz QZFDLFPWPDPIAH-IJLUTSLNSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001021080862 658147181 /nfs/dbraw/zinc/14/71/81/658147181.db2.gz QZFDLFPWPDPIAH-IJLUTSLNSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001021091928 658150811 /nfs/dbraw/zinc/15/08/11/658150811.db2.gz ZSKKORDICHFBDT-CDECOKDKSA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283170 658186749 /nfs/dbraw/zinc/18/67/49/658186749.db2.gz SSWCJRIPADOFKI-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP CCOCC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000923280430 658187865 /nfs/dbraw/zinc/18/78/65/658187865.db2.gz GIVFXTASJIWAHM-OLZOCXBDSA-N 2 1 287.404 -0.439 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280920 658192163 /nfs/dbraw/zinc/19/21/63/658192163.db2.gz KCZNMRBFCLLEGG-OLZOCXBDSA-N 3 1 296.415 -0.848 20 0 CBADMP C[N@@H+](CC(=O)NC1CC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923302713 658197046 /nfs/dbraw/zinc/19/70/46/658197046.db2.gz UVYWRIOSANOBTH-LLVKDONJSA-N 2 1 253.346 -0.425 20 0 CBADMP C[N@H+](CC(=O)NC1CC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923302713 658197071 /nfs/dbraw/zinc/19/70/71/658197071.db2.gz UVYWRIOSANOBTH-LLVKDONJSA-N 2 1 253.346 -0.425 20 0 CBADMP CCNC(=O)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923302590 658197703 /nfs/dbraw/zinc/19/77/03/658197703.db2.gz WZHVYECJZHDDRX-LBPRGKRZSA-N 2 1 282.388 -0.288 20 0 CBADMP O=C1NC[C@H]2C[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CCN12 ZINC000923314254 658202213 /nfs/dbraw/zinc/20/22/13/658202213.db2.gz FFNJKWPTHJSYDX-WDEREUQCSA-N 2 1 266.345 -0.926 20 0 CBADMP O=C1NC[C@H]2C[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CCN12 ZINC000923314254 658202256 /nfs/dbraw/zinc/20/22/56/658202256.db2.gz FFNJKWPTHJSYDX-WDEREUQCSA-N 2 1 266.345 -0.926 20 0 CBADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923314249 658202934 /nfs/dbraw/zinc/20/29/34/658202934.db2.gz FFKMCVAMSMLQTG-QWRGUYRKSA-N 2 1 255.362 -0.321 20 0 CBADMP CCNC(=O)C[N@@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306923 658203410 /nfs/dbraw/zinc/20/34/10/658203410.db2.gz OHDLIYUHILTKRP-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP O[C@@H](COC[C@H]1CCCO1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000923349280 658222188 /nfs/dbraw/zinc/22/21/88/658222188.db2.gz UPQCRRPCPRZPKQ-XJFOESAGSA-N 2 1 270.373 -0.306 20 0 CBADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H](O)C[N@@H+](C)CCOC ZINC000923352889 658226961 /nfs/dbraw/zinc/22/69/61/658226961.db2.gz TTXQLWOVWSFLDT-RWMBFGLXSA-N 2 1 277.384 -0.443 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@H](O)COc1ccccc1 ZINC000923366558 658233229 /nfs/dbraw/zinc/23/32/29/658233229.db2.gz NCSMKAANZWKXLC-RYUDHWBXSA-N 2 1 254.330 -0.322 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H](O)COc1ccccc1 ZINC000923366558 658233241 /nfs/dbraw/zinc/23/32/41/658233241.db2.gz NCSMKAANZWKXLC-RYUDHWBXSA-N 2 1 254.330 -0.322 20 0 CBADMP CCN1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1=O ZINC000923373596 658240784 /nfs/dbraw/zinc/24/07/84/658240784.db2.gz QLIVGYFVQTXTNV-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP CCC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923372279 658240979 /nfs/dbraw/zinc/24/09/79/658240979.db2.gz YVOMZNZEESXDKY-VXGBXAGGSA-N 2 1 267.373 -0.035 20 0 CBADMP CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923372279 658241005 /nfs/dbraw/zinc/24/10/05/658241005.db2.gz YVOMZNZEESXDKY-VXGBXAGGSA-N 2 1 267.373 -0.035 20 0 CBADMP CN(C)C(=O)NCC[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923373300 658242587 /nfs/dbraw/zinc/24/25/87/658242587.db2.gz MGDNZGXQUIMZIB-LLVKDONJSA-N 2 1 270.377 -0.432 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923368895 658243884 /nfs/dbraw/zinc/24/38/84/658243884.db2.gz GOBHTOTWCOAMHJ-RYUDHWBXSA-N 2 1 261.410 -0.112 20 0 CBADMP Cn1cnnc1N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923387047 658251604 /nfs/dbraw/zinc/25/16/04/658251604.db2.gz IXYQBQTZWVXZRK-GFCCVEGCSA-N 2 1 292.387 -0.684 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923398061 658253092 /nfs/dbraw/zinc/25/30/92/658253092.db2.gz JQBKGNZWGCESKQ-MELADBBJSA-N 2 1 271.405 -0.261 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000923394496 658253552 /nfs/dbraw/zinc/25/35/52/658253552.db2.gz ASCCZRPRSXIIHV-QJPTWQEYSA-N 2 1 263.357 -0.703 20 0 CBADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C[C@@H]1COCCO1 ZINC000923391754 658253591 /nfs/dbraw/zinc/25/35/91/658253591.db2.gz POYITMNTFPHIJB-VXGBXAGGSA-N 2 1 256.346 -0.288 20 0 CBADMP CNC(=O)[C@@]1(COC)CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923395324 658256690 /nfs/dbraw/zinc/25/66/90/658256690.db2.gz RNGXKDLMYVWBRC-WFASDCNBSA-N 2 1 297.399 -0.408 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923402659 658260326 /nfs/dbraw/zinc/26/03/26/658260326.db2.gz JRLJYNIYEAPFMW-LBPRGKRZSA-N 3 1 257.378 -0.467 20 0 CBADMP CCOC[C@@H](O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923427173 658273070 /nfs/dbraw/zinc/27/30/70/658273070.db2.gz ACEQWVGTDSAHJJ-OPDFLTKYSA-N 2 1 286.372 -0.404 20 0 CBADMP CC(C)CNC(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462902 658290987 /nfs/dbraw/zinc/29/09/87/658290987.db2.gz DIEIGKVSWIHQTI-LBPRGKRZSA-N 2 1 256.394 -0.358 20 0 CBADMP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923466191 658298279 /nfs/dbraw/zinc/29/82/79/658298279.db2.gz VBXABMOJWIWKES-ZIAGYGMSSA-N 2 1 282.432 -0.014 20 0 CBADMP CC[C@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923464330 658299157 /nfs/dbraw/zinc/29/91/57/658299157.db2.gz MYQHZCUTRNZBMM-NWDGAFQWSA-N 2 1 256.394 -0.216 20 0 CBADMP [NH3+][C@]1(CO)CCCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000923474342 658301206 /nfs/dbraw/zinc/30/12/06/658301206.db2.gz GPNWSFLVCIOULB-HZSPNIEDSA-N 2 1 269.389 -0.365 20 0 CBADMP [NH3+][C@]1(CO)CCCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000923474342 658301218 /nfs/dbraw/zinc/30/12/18/658301218.db2.gz GPNWSFLVCIOULB-HZSPNIEDSA-N 2 1 269.389 -0.365 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)N1CCC[C@@]([NH3+])(CO)C1 ZINC000923474380 658301578 /nfs/dbraw/zinc/30/15/78/658301578.db2.gz HESSOWGRHPZXFH-STQMWFEESA-N 2 1 257.378 -0.507 20 0 CBADMP C[C@@H]1C[N@H+](CCN2CCC[C@@]([NH3+])(CO)C2)CCO1 ZINC000923475173 658301616 /nfs/dbraw/zinc/30/16/16/658301616.db2.gz OCYANURGIUQDIU-OLZOCXBDSA-N 2 1 257.378 -0.507 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2CCC[C@@]([NH3+])(CO)C2)CCO1 ZINC000923475173 658301627 /nfs/dbraw/zinc/30/16/27/658301627.db2.gz OCYANURGIUQDIU-OLZOCXBDSA-N 2 1 257.378 -0.507 20 0 CBADMP [NH3+][C@@]1(CO)CCCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000923474345 658301740 /nfs/dbraw/zinc/30/17/40/658301740.db2.gz GPNWSFLVCIOULB-MJBXVCDLSA-N 2 1 269.389 -0.365 20 0 CBADMP [NH3+][C@@]1(CO)CCCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000923474345 658301750 /nfs/dbraw/zinc/30/17/50/658301750.db2.gz GPNWSFLVCIOULB-MJBXVCDLSA-N 2 1 269.389 -0.365 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491490 658308279 /nfs/dbraw/zinc/30/82/79/658308279.db2.gz IERXAUYEFCFYLF-IHRRRGAJSA-N 2 1 273.421 -0.158 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497063 658307351 /nfs/dbraw/zinc/30/73/51/658307351.db2.gz KQBYJMGXVDBNTJ-NEPJUHHUSA-N 2 1 285.388 -0.075 20 0 CBADMP C[C@@H]1C[N@H+](Cc2nc(N)nc(N(C)C)n2)CC[C@H]1C[NH3+] ZINC000923496191 658307959 /nfs/dbraw/zinc/30/79/59/658307959.db2.gz GNXRCNULPFDWCA-ZJUUUORDSA-N 2 1 279.392 -0.064 20 0 CBADMP C[C@@H]1C[N@@H+](Cc2nc(N)nc(N(C)C)n2)CC[C@H]1C[NH3+] ZINC000923496191 658307970 /nfs/dbraw/zinc/30/79/70/658307970.db2.gz GNXRCNULPFDWCA-ZJUUUORDSA-N 2 1 279.392 -0.064 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1)C(=O)N(C)C ZINC000923493636 658308375 /nfs/dbraw/zinc/30/83/75/658308375.db2.gz UJDNWMDKFLTBCP-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501031 658309334 /nfs/dbraw/zinc/30/93/34/658309334.db2.gz YSTCQFISKABHRX-GHMZBOCLSA-N 2 1 263.407 -0.158 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923513904 658309458 /nfs/dbraw/zinc/30/94/58/658309458.db2.gz DEKCJWCZNOYOCB-YRGRVCCFSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC000923508230 658309946 /nfs/dbraw/zinc/30/99/46/658309946.db2.gz GQLJBYDOHSAYPX-VXGBXAGGSA-N 2 1 254.378 -0.571 20 0 CBADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515963 658313588 /nfs/dbraw/zinc/31/35/88/658313588.db2.gz PBVJGFGIIXVVGZ-YNEHKIRRSA-N 3 1 251.374 -0.094 20 0 CBADMP O=S1(=O)NC[C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCN21 ZINC000923550415 658318680 /nfs/dbraw/zinc/31/86/80/658318680.db2.gz XMLUHYUBMBRGAZ-RYUDHWBXSA-N 2 1 288.417 -0.790 20 0 CBADMP COC[C@H]1COCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923557642 658326735 /nfs/dbraw/zinc/32/67/35/658326735.db2.gz MGZKPGQTJGMAQL-NWDGAFQWSA-N 2 1 256.346 -0.288 20 0 CBADMP COC[C@H]1COCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923557642 658326747 /nfs/dbraw/zinc/32/67/47/658326747.db2.gz MGZKPGQTJGMAQL-NWDGAFQWSA-N 2 1 256.346 -0.288 20 0 CBADMP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923610712 658348543 /nfs/dbraw/zinc/34/85/43/658348543.db2.gz WAXRGBJHAAGKMS-RYUDHWBXSA-N 2 1 273.402 -0.153 20 0 CBADMP C[C@H]1C[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000923627259 658361862 /nfs/dbraw/zinc/36/18/62/658361862.db2.gz YXXIMZKEETZNAW-WDEREUQCSA-N 2 1 288.417 -0.649 20 0 CBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923630365 658363267 /nfs/dbraw/zinc/36/32/67/658363267.db2.gz XCWIYMLFLSZXKK-PWSUYJOCSA-N 2 1 273.402 -0.296 20 0 CBADMP Cc1cccc(NCCNS(=O)(=O)N2CC[NH2+]CC2)[nH+]1 ZINC000923734286 658424381 /nfs/dbraw/zinc/42/43/81/658424381.db2.gz NCIPSVIODZVQRJ-UHFFFAOYSA-N 2 1 299.400 -0.458 20 0 CBADMP O=S(=O)(N1CC[C@@]2(C1)CCCC[NH2+]2)N1CC[NH2+]CC1 ZINC000923737304 658426367 /nfs/dbraw/zinc/42/63/67/658426367.db2.gz YRMMJQHEPBVPII-GFCCVEGCSA-N 2 1 288.417 -0.646 20 0 CBADMP O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000958214928 658591155 /nfs/dbraw/zinc/59/11/55/658591155.db2.gz OSSVGURRCJMOGM-QWHCGFSZSA-N 2 1 297.399 -0.984 20 0 CBADMP C[C@@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)C[NH+]1CCOCC1 ZINC000924555736 658615262 /nfs/dbraw/zinc/61/52/62/658615262.db2.gz JIZLWVSDZPCNNY-NEPJUHHUSA-N 2 1 298.387 -0.563 20 0 CBADMP C[C@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)[N@@H+](C)C1CC1 ZINC000924582187 658616724 /nfs/dbraw/zinc/61/67/24/658616724.db2.gz JBUVLFYQRNHPEN-KOLCDFICSA-N 2 1 268.361 -0.049 20 0 CBADMP COCC[N@@H+](C)CCCN[C@@H]1C(=O)NCC12CCOCC2 ZINC000924654951 658628840 /nfs/dbraw/zinc/62/88/40/658628840.db2.gz XIBMYSVHSIAFLO-CYBMUJFWSA-N 2 1 299.415 -0.161 20 0 CBADMP COCCN(C)CCC[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000924654951 658628853 /nfs/dbraw/zinc/62/88/53/658628853.db2.gz XIBMYSVHSIAFLO-CYBMUJFWSA-N 2 1 299.415 -0.161 20 0 CBADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000924944447 658668183 /nfs/dbraw/zinc/66/81/83/658668183.db2.gz ALWYCJYPRBCCAE-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP COC1(OC)CC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000924945955 658668485 /nfs/dbraw/zinc/66/84/85/658668485.db2.gz MPTIMAGZIIZSQR-LBPRGKRZSA-N 2 1 285.388 -0.108 20 0 CBADMP O=C(NC[C@@H]1C[N@@H+](CCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958592465 658670658 /nfs/dbraw/zinc/67/06/58/658670658.db2.gz QBBUSIMDUHYIEI-VXGBXAGGSA-N 2 1 285.363 -0.539 20 0 CBADMP O=C(NC[C@@H]1C[N@H+](CCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958592465 658670671 /nfs/dbraw/zinc/67/06/71/658670671.db2.gz QBBUSIMDUHYIEI-VXGBXAGGSA-N 2 1 285.363 -0.539 20 0 CBADMP CC1(C)CNC(=O)[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000924966725 658676869 /nfs/dbraw/zinc/67/68/69/658676869.db2.gz UILHZXWVSHNGRA-RYUDHWBXSA-N 2 1 296.415 -0.312 20 0 CBADMP CC1(C)CNC(=O)[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000924966725 658676896 /nfs/dbraw/zinc/67/68/96/658676896.db2.gz UILHZXWVSHNGRA-RYUDHWBXSA-N 2 1 296.415 -0.312 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2C)n1 ZINC000924979111 658682600 /nfs/dbraw/zinc/68/26/00/658682600.db2.gz LZEIPODIEFEKET-VXGBXAGGSA-N 2 1 295.387 -0.761 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2C)CCC1 ZINC000924979016 658682686 /nfs/dbraw/zinc/68/26/86/658682686.db2.gz CXRUXWZYADYUFH-MNOVXSKESA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+](C)CCn1nccc1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1C ZINC000924979128 658686866 /nfs/dbraw/zinc/68/68/66/658686866.db2.gz MBZGAIOYCPKPBO-VXGBXAGGSA-N 2 1 295.387 -0.761 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)O1 ZINC000960530857 658804856 /nfs/dbraw/zinc/80/48/56/658804856.db2.gz XLLVEJOFERFKRG-RGDJUOJXSA-N 2 1 297.399 -0.866 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)O1 ZINC000960530857 658804858 /nfs/dbraw/zinc/80/48/58/658804858.db2.gz XLLVEJOFERFKRG-RGDJUOJXSA-N 2 1 297.399 -0.866 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)O1 ZINC000960530857 658804865 /nfs/dbraw/zinc/80/48/65/658804865.db2.gz XLLVEJOFERFKRG-RGDJUOJXSA-N 2 1 297.399 -0.866 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)O1 ZINC000960530857 658804869 /nfs/dbraw/zinc/80/48/69/658804869.db2.gz XLLVEJOFERFKRG-RGDJUOJXSA-N 2 1 297.399 -0.866 20 0 CBADMP NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC000960768103 658807529 /nfs/dbraw/zinc/80/75/29/658807529.db2.gz GIWUKLNKJORTFX-PJXYFTJBSA-N 2 1 292.383 -0.854 20 0 CBADMP NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC000960768103 658807532 /nfs/dbraw/zinc/80/75/32/658807532.db2.gz GIWUKLNKJORTFX-PJXYFTJBSA-N 2 1 292.383 -0.854 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC000961173153 658816410 /nfs/dbraw/zinc/81/64/10/658816410.db2.gz LQWAAGIDIPDDTC-CIQGVGRVSA-N 2 1 278.356 -0.381 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC000961173153 658816414 /nfs/dbraw/zinc/81/64/14/658816414.db2.gz LQWAAGIDIPDDTC-CIQGVGRVSA-N 2 1 278.356 -0.381 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961666375 658830752 /nfs/dbraw/zinc/83/07/52/658830752.db2.gz WGUSIMFNYASSRG-FTYKPCCVSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961666375 658830757 /nfs/dbraw/zinc/83/07/57/658830757.db2.gz WGUSIMFNYASSRG-FTYKPCCVSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000925341779 658830900 /nfs/dbraw/zinc/83/09/00/658830900.db2.gz JPFLLQRZCGKEOZ-XQHKEYJVSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000925341779 658830905 /nfs/dbraw/zinc/83/09/05/658830905.db2.gz JPFLLQRZCGKEOZ-XQHKEYJVSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000925341779 658830906 /nfs/dbraw/zinc/83/09/06/658830906.db2.gz JPFLLQRZCGKEOZ-XQHKEYJVSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925344076 658831102 /nfs/dbraw/zinc/83/11/02/658831102.db2.gz PABWGOFMCMUELS-YNEHKIRRSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000925344076 658831108 /nfs/dbraw/zinc/83/11/08/658831108.db2.gz PABWGOFMCMUELS-YNEHKIRRSA-N 2 1 284.404 -0.213 20 0 CBADMP C[NH+](C)C[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)CCO1 ZINC000925405354 658837960 /nfs/dbraw/zinc/83/79/60/658837960.db2.gz FWGVVLRSUXKEJJ-RYUDHWBXSA-N 2 1 270.377 -0.338 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000925409324 658839372 /nfs/dbraw/zinc/83/93/72/658839372.db2.gz FJRISLHCHPMOMJ-LLVKDONJSA-N 2 1 270.377 -0.554 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000962573610 658857937 /nfs/dbraw/zinc/85/79/37/658857937.db2.gz XCBWAMYOXHWKNB-PJXYFTJBSA-N 2 1 253.346 -0.879 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCN[C@H]1C[NH2+]CCOC1 ZINC000925554957 658859584 /nfs/dbraw/zinc/85/95/84/658859584.db2.gz BXAPLIDFFCMYKN-UONOGXRCSA-N 2 1 298.431 -0.493 20 0 CBADMP C[NH+]1CCN(C(=O)CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925615302 658861850 /nfs/dbraw/zinc/86/18/50/658861850.db2.gz FXQXZHVSGPJOCG-JQPXUNLUSA-N 2 1 278.400 -0.654 20 0 CBADMP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)Cn1ccnn1 ZINC000925686773 658865624 /nfs/dbraw/zinc/86/56/24/658865624.db2.gz WHKHJICGCBDABY-NEPJUHHUSA-N 2 1 265.361 -0.097 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000925688785 658865641 /nfs/dbraw/zinc/86/56/41/658865641.db2.gz FQCQCPNLMWMGCT-QWRGUYRKSA-N 2 1 280.376 -0.113 20 0 CBADMP COCC1(CN[C@@H]2C[NH2+]CCOC2)CC[NH2+]CC1 ZINC000925701037 658867167 /nfs/dbraw/zinc/86/71/67/658867167.db2.gz UVHXHWLVWMRHKK-GFCCVEGCSA-N 2 1 257.378 -0.419 20 0 CBADMP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925720147 658867859 /nfs/dbraw/zinc/86/78/59/658867859.db2.gz XBLPWCVXKYGKPA-WDEREUQCSA-N 2 1 271.361 -0.214 20 0 CBADMP 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 658868061 /nfs/dbraw/zinc/86/80/61/658868061.db2.gz TZYVLVIKNFDFLI-BSCCGWMCSA-N 2 1 251.374 -0.361 20 0 CBADMP C([NH2+][C@H]1CNCCOC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000925732517 658868745 /nfs/dbraw/zinc/86/87/45/658868745.db2.gz YKFDMRKEGDBIGD-QWHCGFSZSA-N 2 1 269.389 -0.277 20 0 CBADMP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925725514 658868851 /nfs/dbraw/zinc/86/88/51/658868851.db2.gz LMOVHQSQFVNTAA-NAKRPEOUSA-N 2 1 283.372 -0.088 20 0 CBADMP O=C1OC[C@]2(C[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)COCCN12 ZINC000925735550 658869000 /nfs/dbraw/zinc/86/90/00/658869000.db2.gz VWHLYAGNWDNZHP-ZDDLAMDLSA-N 2 1 293.367 -0.206 20 0 CBADMP O=C1NCCN1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000925776759 658870961 /nfs/dbraw/zinc/87/09/61/658870961.db2.gz IVQXQOGIRNWSEB-UPJWGTAASA-N 2 1 282.388 -0.242 20 0 CBADMP C[C@@H](N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C1C[NH2+]C1 ZINC000925771421 658871145 /nfs/dbraw/zinc/87/11/45/658871145.db2.gz YBNGRWSRIPDJER-ZBFHGGJFSA-N 2 1 296.459 -0.020 20 0 CBADMP C[C@@H](N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1C[NH2+]C1 ZINC000925771421 658871149 /nfs/dbraw/zinc/87/11/49/658871149.db2.gz YBNGRWSRIPDJER-ZBFHGGJFSA-N 2 1 296.459 -0.020 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@H]1C ZINC000926344981 658895549 /nfs/dbraw/zinc/89/55/49/658895549.db2.gz AMCCNOARBKPXCY-FDYHWXHSSA-N 2 1 296.415 -0.267 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@H]1C ZINC000926344981 658895550 /nfs/dbraw/zinc/89/55/50/658895550.db2.gz AMCCNOARBKPXCY-FDYHWXHSSA-N 2 1 296.415 -0.267 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926359587 658896943 /nfs/dbraw/zinc/89/69/43/658896943.db2.gz JCWPRHIYKJYDMW-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[C@H](C)[N@H+]1C ZINC000926412569 658899388 /nfs/dbraw/zinc/89/93/88/658899388.db2.gz IAKLHNAINUJUHP-XQQFMLRXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000926412569 658899391 /nfs/dbraw/zinc/89/93/91/658899391.db2.gz IAKLHNAINUJUHP-XQQFMLRXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@H]1[NH3+] ZINC000926418568 658899882 /nfs/dbraw/zinc/89/98/82/658899882.db2.gz KDOSEHSCFBFXIW-LALPHHSUSA-N 2 1 294.399 -0.654 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000926441386 658900991 /nfs/dbraw/zinc/90/09/91/658900991.db2.gz BHDRFGZBLBWYEN-GFCCVEGCSA-N 2 1 284.404 -0.408 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000926441386 658900996 /nfs/dbraw/zinc/90/09/96/658900996.db2.gz BHDRFGZBLBWYEN-GFCCVEGCSA-N 2 1 284.404 -0.408 20 0 CBADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CCNC1=O ZINC000926872189 658916935 /nfs/dbraw/zinc/91/69/35/658916935.db2.gz AMNATSCLIXKUDV-FOSCPWQOSA-N 2 1 252.362 -0.059 20 0 CBADMP CN1CCOC[C@]1(CO)C[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000926890793 658918107 /nfs/dbraw/zinc/91/81/07/658918107.db2.gz DSRZMKGNYGUOOD-IZGVIRRGSA-N 2 1 283.416 -0.391 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC000968728641 658940766 /nfs/dbraw/zinc/94/07/66/658940766.db2.gz STKYATBMYVVNMG-GMTAPVOTSA-N 2 1 268.361 -0.998 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC000969356866 658978016 /nfs/dbraw/zinc/97/80/16/658978016.db2.gz SQEPHESATNNMRV-VXGBXAGGSA-N 2 1 266.345 -0.237 20 0 CBADMP C[C@H](NC(=O)[C@H]1CCCN1C)C1CN(CC(N)=O)C1 ZINC000969409769 658986601 /nfs/dbraw/zinc/98/66/01/658986601.db2.gz GMTZESACJSJVIX-GXSJLCMTSA-N 2 1 268.361 -0.998 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CCCN1C)C1CN(CC(N)=O)C1 ZINC000969409772 658988893 /nfs/dbraw/zinc/98/88/93/658988893.db2.gz GMTZESACJSJVIX-ONGXEEELSA-N 2 1 268.361 -0.998 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)CC2 ZINC000969739116 659012226 /nfs/dbraw/zinc/01/22/26/659012226.db2.gz BSVRHDIUFKUAAK-QWHCGFSZSA-N 2 1 292.383 -0.063 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CCO)C1 ZINC000969968409 659027614 /nfs/dbraw/zinc/02/76/14/659027614.db2.gz ITQPJKBACNFLPY-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2C)CC1=O ZINC000928562306 659045378 /nfs/dbraw/zinc/04/53/78/659045378.db2.gz HVEVKEGJGRIUNB-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCO)C1 ZINC000970879354 659073565 /nfs/dbraw/zinc/07/35/65/659073565.db2.gz VTBDXHNHJFXGDK-WDEREUQCSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970868932 659074071 /nfs/dbraw/zinc/07/40/71/659074071.db2.gz OIFAGZVHEBKQRK-NWDGAFQWSA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970868932 659074073 /nfs/dbraw/zinc/07/40/73/659074073.db2.gz OIFAGZVHEBKQRK-NWDGAFQWSA-N 2 1 296.415 -0.537 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000929170104 659097116 /nfs/dbraw/zinc/09/71/16/659097116.db2.gz DDGZBANLZWWWOC-LLVKDONJSA-N 2 1 268.361 -0.983 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000929170104 659097122 /nfs/dbraw/zinc/09/71/22/659097122.db2.gz DDGZBANLZWWWOC-LLVKDONJSA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CCCC1 ZINC000929164861 659097314 /nfs/dbraw/zinc/09/73/14/659097314.db2.gz YFGPJUYOPBERHM-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CCCC1 ZINC000929164861 659097319 /nfs/dbraw/zinc/09/73/19/659097319.db2.gz YFGPJUYOPBERHM-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000972326577 659114695 /nfs/dbraw/zinc/11/46/95/659114695.db2.gz MCDZVKASAAFPTL-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC000972326577 659114685 /nfs/dbraw/zinc/11/46/85/659114685.db2.gz MCDZVKASAAFPTL-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC000972326577 659114691 /nfs/dbraw/zinc/11/46/91/659114691.db2.gz MCDZVKASAAFPTL-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000972326577 659114699 /nfs/dbraw/zinc/11/46/99/659114699.db2.gz MCDZVKASAAFPTL-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000929405754 659121425 /nfs/dbraw/zinc/12/14/25/659121425.db2.gz VOOMDSGAXNVATK-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000929405754 659121432 /nfs/dbraw/zinc/12/14/32/659121432.db2.gz VOOMDSGAXNVATK-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000929401439 659121745 /nfs/dbraw/zinc/12/17/45/659121745.db2.gz KCAWVTHNNUHAKY-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000929401439 659121746 /nfs/dbraw/zinc/12/17/46/659121746.db2.gz KCAWVTHNNUHAKY-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000929401439 659121747 /nfs/dbraw/zinc/12/17/47/659121747.db2.gz KCAWVTHNNUHAKY-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000929401439 659121756 /nfs/dbraw/zinc/12/17/56/659121756.db2.gz KCAWVTHNNUHAKY-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972673902 659123856 /nfs/dbraw/zinc/12/38/56/659123856.db2.gz LRZLIDXWFZAJNY-HNNXBMFYSA-N 2 1 297.399 -0.622 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972673902 659123863 /nfs/dbraw/zinc/12/38/63/659123863.db2.gz LRZLIDXWFZAJNY-HNNXBMFYSA-N 2 1 297.399 -0.622 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000929508112 659133614 /nfs/dbraw/zinc/13/36/14/659133614.db2.gz AWOLABPUXJWGSO-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000929508112 659133620 /nfs/dbraw/zinc/13/36/20/659133620.db2.gz AWOLABPUXJWGSO-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000929508112 659133622 /nfs/dbraw/zinc/13/36/22/659133622.db2.gz AWOLABPUXJWGSO-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000929508112 659133627 /nfs/dbraw/zinc/13/36/27/659133627.db2.gz AWOLABPUXJWGSO-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)C1CC1 ZINC000929712966 659162839 /nfs/dbraw/zinc/16/28/39/659162839.db2.gz YQRFAYHAWHUXND-NSHDSACASA-N 2 1 268.361 -0.983 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)C1CC1 ZINC000929712966 659162842 /nfs/dbraw/zinc/16/28/42/659162842.db2.gz YQRFAYHAWHUXND-NSHDSACASA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)C1CC1 ZINC000929712966 659162847 /nfs/dbraw/zinc/16/28/47/659162847.db2.gz YQRFAYHAWHUXND-NSHDSACASA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C1CC1 ZINC000929712966 659162850 /nfs/dbraw/zinc/16/28/50/659162850.db2.gz YQRFAYHAWHUXND-NSHDSACASA-N 2 1 268.361 -0.983 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000929751719 659166222 /nfs/dbraw/zinc/16/62/22/659166222.db2.gz QUWBWGPHDFKVRM-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000929751719 659166226 /nfs/dbraw/zinc/16/62/26/659166226.db2.gz QUWBWGPHDFKVRM-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000929956873 659187079 /nfs/dbraw/zinc/18/70/79/659187079.db2.gz WACLRHJXJZTHAP-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000929956873 659187087 /nfs/dbraw/zinc/18/70/87/659187087.db2.gz WACLRHJXJZTHAP-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000929956873 659187098 /nfs/dbraw/zinc/18/70/98/659187098.db2.gz WACLRHJXJZTHAP-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000929956873 659187103 /nfs/dbraw/zinc/18/71/03/659187103.db2.gz WACLRHJXJZTHAP-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)C12CCC[NH+]1CCC2 ZINC000978401788 659218039 /nfs/dbraw/zinc/21/80/39/659218039.db2.gz PDDJVECLZQLRBY-ZSOGYDGISA-N 2 1 293.411 -0.099 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+]1C ZINC000930146641 659223005 /nfs/dbraw/zinc/22/30/05/659223005.db2.gz VVUYTAHVTXZLGX-IJLUTSLNSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+]1C ZINC000930146641 659223021 /nfs/dbraw/zinc/22/30/21/659223021.db2.gz VVUYTAHVTXZLGX-IJLUTSLNSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+]1C ZINC000930146641 659223042 /nfs/dbraw/zinc/22/30/42/659223042.db2.gz VVUYTAHVTXZLGX-IJLUTSLNSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC[NH+]1C ZINC000930146641 659223050 /nfs/dbraw/zinc/22/30/50/659223050.db2.gz VVUYTAHVTXZLGX-IJLUTSLNSA-N 2 1 282.388 -0.594 20 0 CBADMP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)[C@@H](C)O)CC1 ZINC000930296193 659249968 /nfs/dbraw/zinc/24/99/68/659249968.db2.gz MUXHABUBMKJOFX-DGCLKSJQSA-N 2 1 281.356 -0.046 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C[N@@H+]1C1CC1 ZINC000930480144 659294991 /nfs/dbraw/zinc/29/49/91/659294991.db2.gz PNPYMCCNFKHSKN-MDZLAQPJSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C[N@H+]1C1CC1 ZINC000930480144 659294998 /nfs/dbraw/zinc/29/49/98/659294998.db2.gz PNPYMCCNFKHSKN-MDZLAQPJSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C[NH+]1C1CC1 ZINC000930480144 659295004 /nfs/dbraw/zinc/29/50/04/659295004.db2.gz PNPYMCCNFKHSKN-MDZLAQPJSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C[NH+]1C1CC1 ZINC000930480144 659295025 /nfs/dbraw/zinc/29/50/25/659295025.db2.gz PNPYMCCNFKHSKN-MDZLAQPJSA-N 2 1 294.399 -0.452 20 0 CBADMP CO[C@@H](C)C[N@H+]1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000980893584 659298566 /nfs/dbraw/zinc/29/85/66/659298566.db2.gz NIBMMLZAEJXYPW-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP O=C([C@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC[N@H+](CCO)CC1 ZINC000981208708 659310499 /nfs/dbraw/zinc/31/04/99/659310499.db2.gz BOKBUZLGUFSEIJ-ZIAGYGMSSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[NH+](CCO)CC1 ZINC000981208708 659310503 /nfs/dbraw/zinc/31/05/03/659310503.db2.gz BOKBUZLGUFSEIJ-ZIAGYGMSSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[NH+](CCO)CC1 ZINC000981208708 659310506 /nfs/dbraw/zinc/31/05/06/659310506.db2.gz BOKBUZLGUFSEIJ-ZIAGYGMSSA-N 2 1 297.399 -0.624 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](CCCO)CC2)O1 ZINC000981440661 659318532 /nfs/dbraw/zinc/31/85/32/659318532.db2.gz ZKGHJOYOLVYEIM-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](CCCO)CC2)O1 ZINC000981440661 659318541 /nfs/dbraw/zinc/31/85/41/659318541.db2.gz ZKGHJOYOLVYEIM-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](CCCO)CC2)O1 ZINC000981440661 659318550 /nfs/dbraw/zinc/31/85/50/659318550.db2.gz ZKGHJOYOLVYEIM-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](CCCO)CC2)O1 ZINC000981440661 659318557 /nfs/dbraw/zinc/31/85/57/659318557.db2.gz ZKGHJOYOLVYEIM-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000930675398 659320489 /nfs/dbraw/zinc/32/04/89/659320489.db2.gz OPEIOGVWVBGXMD-KBPBESRZSA-N 2 1 271.405 -0.559 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000930675401 659321198 /nfs/dbraw/zinc/32/11/98/659321198.db2.gz OPEIOGVWVBGXMD-ZIAGYGMSSA-N 2 1 271.405 -0.559 20 0 CBADMP NC(=O)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000982152757 659340854 /nfs/dbraw/zinc/34/08/54/659340854.db2.gz YZULYKLZLYJUIQ-UHFFFAOYSA-N 2 1 294.399 -0.508 20 0 CBADMP NC(=O)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000982152757 659340858 /nfs/dbraw/zinc/34/08/58/659340858.db2.gz YZULYKLZLYJUIQ-UHFFFAOYSA-N 2 1 294.399 -0.508 20 0 CBADMP CC(=O)NCCCCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000930851188 659353556 /nfs/dbraw/zinc/35/35/56/659353556.db2.gz XTXYBXIFGPRIOK-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP CC(=O)NCCCCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000930851188 659353568 /nfs/dbraw/zinc/35/35/68/659353568.db2.gz XTXYBXIFGPRIOK-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000930949785 659366676 /nfs/dbraw/zinc/36/66/76/659366676.db2.gz SICJGPZTTCJWTK-SDDRHHMPSA-N 2 1 282.388 -0.737 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000930949785 659366683 /nfs/dbraw/zinc/36/66/83/659366683.db2.gz SICJGPZTTCJWTK-SDDRHHMPSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000985333114 659379105 /nfs/dbraw/zinc/37/91/05/659379105.db2.gz XRQRAZPYGFDRCC-AAEUAGOBSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000985333114 659379114 /nfs/dbraw/zinc/37/91/14/659379114.db2.gz XRQRAZPYGFDRCC-AAEUAGOBSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000985333114 659379123 /nfs/dbraw/zinc/37/91/23/659379123.db2.gz XRQRAZPYGFDRCC-AAEUAGOBSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH+](C)CC(N)=O)CC2)C1 ZINC000985653187 659394964 /nfs/dbraw/zinc/39/49/64/659394964.db2.gz JCUBWGCYRMQFRR-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CCC([N@H+](C)CC(N)=O)CC2)C1 ZINC000985653187 659394971 /nfs/dbraw/zinc/39/49/71/659394971.db2.gz JCUBWGCYRMQFRR-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CCC([N@@H+](C)CC(N)=O)CC2)C1 ZINC000985653187 659394980 /nfs/dbraw/zinc/39/49/80/659394980.db2.gz JCUBWGCYRMQFRR-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC000985653901 659395230 /nfs/dbraw/zinc/39/52/30/659395230.db2.gz NADWUZHAGLLCEH-WCQYABFASA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC000985653901 659395233 /nfs/dbraw/zinc/39/52/33/659395233.db2.gz NADWUZHAGLLCEH-WCQYABFASA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC000985653901 659395237 /nfs/dbraw/zinc/39/52/37/659395237.db2.gz NADWUZHAGLLCEH-WCQYABFASA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC000985647006 659395749 /nfs/dbraw/zinc/39/57/49/659395749.db2.gz NBMWEFVIBFMRDW-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC000985647006 659395755 /nfs/dbraw/zinc/39/57/55/659395755.db2.gz NBMWEFVIBFMRDW-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC000985647006 659395766 /nfs/dbraw/zinc/39/57/66/659395766.db2.gz NBMWEFVIBFMRDW-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+]1C[C@@]2(C)CN(CCN3C(=O)CNC3=O)C[C@@]2(C)C1 ZINC000931305824 659426964 /nfs/dbraw/zinc/42/69/64/659426964.db2.gz HPMOKXIPLOYUEM-OKILXGFUSA-N 2 1 280.372 -0.188 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931425682 659458297 /nfs/dbraw/zinc/45/82/97/659458297.db2.gz HXWCJQQYNJSVLP-NWDGAFQWSA-N 2 1 283.372 -0.451 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931425682 659458311 /nfs/dbraw/zinc/45/83/11/659458311.db2.gz HXWCJQQYNJSVLP-NWDGAFQWSA-N 2 1 283.372 -0.451 20 0 CBADMP COC(=O)CCNC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931425682 659458323 /nfs/dbraw/zinc/45/83/23/659458323.db2.gz HXWCJQQYNJSVLP-NWDGAFQWSA-N 2 1 283.372 -0.451 20 0 CBADMP COC(=O)CCNC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931425682 659458336 /nfs/dbraw/zinc/45/83/36/659458336.db2.gz HXWCJQQYNJSVLP-NWDGAFQWSA-N 2 1 283.372 -0.451 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC000986572406 659458858 /nfs/dbraw/zinc/45/88/58/659458858.db2.gz IYLMYMMBPGJBPJ-QWRGUYRKSA-N 2 1 279.344 -0.744 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCc2[nH+]ccc(N)c2C1 ZINC000931516817 659478716 /nfs/dbraw/zinc/47/87/16/659478716.db2.gz BLFABQHNWUIAJO-GFCCVEGCSA-N 2 1 294.399 -0.039 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H]1C ZINC000987531095 659510934 /nfs/dbraw/zinc/51/09/34/659510934.db2.gz KEWYZJRPJNVFNF-GXSJLCMTSA-N 2 1 279.344 -0.744 20 0 CBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931878670 659539602 /nfs/dbraw/zinc/53/96/02/659539602.db2.gz SLAZZPJQBAKBCX-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931878670 659539603 /nfs/dbraw/zinc/53/96/03/659539603.db2.gz SLAZZPJQBAKBCX-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931877109 659539615 /nfs/dbraw/zinc/53/96/15/659539615.db2.gz FQQMKHRNOGCOFM-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931877109 659539617 /nfs/dbraw/zinc/53/96/17/659539617.db2.gz FQQMKHRNOGCOFM-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931877109 659539619 /nfs/dbraw/zinc/53/96/19/659539619.db2.gz FQQMKHRNOGCOFM-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931877109 659539621 /nfs/dbraw/zinc/53/96/21/659539621.db2.gz FQQMKHRNOGCOFM-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931876630 659539790 /nfs/dbraw/zinc/53/97/90/659539790.db2.gz MURWJXVDTIHECQ-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931876630 659539798 /nfs/dbraw/zinc/53/97/98/659539798.db2.gz MURWJXVDTIHECQ-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931876630 659539801 /nfs/dbraw/zinc/53/98/01/659539801.db2.gz MURWJXVDTIHECQ-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931876630 659539807 /nfs/dbraw/zinc/53/98/07/659539807.db2.gz MURWJXVDTIHECQ-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC1 ZINC000931883075 659548850 /nfs/dbraw/zinc/54/88/50/659548850.db2.gz QEDIYAQRVJCBNZ-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC1 ZINC000931883075 659548864 /nfs/dbraw/zinc/54/88/64/659548864.db2.gz QEDIYAQRVJCBNZ-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CC[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000931883075 659548882 /nfs/dbraw/zinc/54/88/82/659548882.db2.gz QEDIYAQRVJCBNZ-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CC[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000931883075 659548894 /nfs/dbraw/zinc/54/88/94/659548894.db2.gz QEDIYAQRVJCBNZ-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931885420 659549822 /nfs/dbraw/zinc/54/98/22/659549822.db2.gz NZBTYGUUJKYRQJ-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931885420 659549837 /nfs/dbraw/zinc/54/98/37/659549837.db2.gz NZBTYGUUJKYRQJ-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000931889639 659558807 /nfs/dbraw/zinc/55/88/07/659558807.db2.gz JRVOTLLSBCEOSK-GFCCVEGCSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000931889639 659558812 /nfs/dbraw/zinc/55/88/12/659558812.db2.gz JRVOTLLSBCEOSK-GFCCVEGCSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000931889640 659558858 /nfs/dbraw/zinc/55/88/58/659558858.db2.gz JRVOTLLSBCEOSK-LBPRGKRZSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000931889640 659558865 /nfs/dbraw/zinc/55/88/65/659558865.db2.gz JRVOTLLSBCEOSK-LBPRGKRZSA-N 2 1 294.399 -0.497 20 0 CBADMP C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000989079840 659568885 /nfs/dbraw/zinc/56/88/85/659568885.db2.gz YBBMBUZHXYTTEH-QWRGUYRKSA-N 2 1 296.371 -0.079 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]CCO)C[C@@H]1C ZINC000989174818 659574433 /nfs/dbraw/zinc/57/44/33/659574433.db2.gz BYKUUIIXKQFFGH-CMPLNLGQSA-N 2 1 266.345 -0.237 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC000932262124 659589587 /nfs/dbraw/zinc/58/95/87/659589587.db2.gz MGBFWAQIUINSNA-ZDUSSCGKSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[N@@H+](CCO)CC1 ZINC000989671161 659605610 /nfs/dbraw/zinc/60/56/10/659605610.db2.gz VCRKEMLKNDNZFV-CQSZACIVSA-N 2 1 299.415 -0.519 20 0 CBADMP C[C@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989661024 659606425 /nfs/dbraw/zinc/60/64/25/659606425.db2.gz FNLXIHSVAFQPJY-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989661024 659606428 /nfs/dbraw/zinc/60/64/28/659606428.db2.gz FNLXIHSVAFQPJY-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989661024 659606433 /nfs/dbraw/zinc/60/64/33/659606433.db2.gz FNLXIHSVAFQPJY-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](C[C@@H](C)O)CC2)C1 ZINC000989707470 659609365 /nfs/dbraw/zinc/60/93/65/659609365.db2.gz DRZPWNROULAHJC-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](C[C@@H](C)O)CC2)C1 ZINC000989707470 659609373 /nfs/dbraw/zinc/60/93/73/659609373.db2.gz DRZPWNROULAHJC-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](C[C@@H](C)O)CC2)C1 ZINC000989707470 659609379 /nfs/dbraw/zinc/60/93/79/659609379.db2.gz DRZPWNROULAHJC-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](C[C@@H](C)O)CC2)C1 ZINC000989707470 659609381 /nfs/dbraw/zinc/60/93/81/659609381.db2.gz DRZPWNROULAHJC-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CCCO)CC2)C1 ZINC000989708439 659609417 /nfs/dbraw/zinc/60/94/17/659609417.db2.gz SSUWGWGMTQLRAY-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CCCO)CC2)C1 ZINC000989708439 659609421 /nfs/dbraw/zinc/60/94/21/659609421.db2.gz SSUWGWGMTQLRAY-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](CCCO)CC2)C1 ZINC000989708439 659609427 /nfs/dbraw/zinc/60/94/27/659609427.db2.gz SSUWGWGMTQLRAY-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](CCCO)CC2)C1 ZINC000989708439 659609431 /nfs/dbraw/zinc/60/94/31/659609431.db2.gz SSUWGWGMTQLRAY-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC000989799538 659614878 /nfs/dbraw/zinc/61/48/78/659614878.db2.gz MWQHFVAOAVDYST-KOLCDFICSA-N 2 1 279.344 -0.744 20 0 CBADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932947706 659642576 /nfs/dbraw/zinc/64/25/76/659642576.db2.gz ORKHLZMDSZZPFI-LLVKDONJSA-N 2 1 286.401 -0.037 20 0 CBADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932947706 659642585 /nfs/dbraw/zinc/64/25/85/659642585.db2.gz ORKHLZMDSZZPFI-LLVKDONJSA-N 2 1 286.401 -0.037 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@]12CCC[C@H]1N(CC(N)=O)CC2 ZINC000990025274 659647314 /nfs/dbraw/zinc/64/73/14/659647314.db2.gz IFFLUSMQYFPZOF-LALPHHSUSA-N 2 1 294.399 -0.321 20 0 CBADMP CN1CCC[C@@H]1C(=O)N[C@@]12CCC[C@H]1N(CC(N)=O)CC2 ZINC000990025274 659647319 /nfs/dbraw/zinc/64/73/19/659647319.db2.gz IFFLUSMQYFPZOF-LALPHHSUSA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC000990245398 659704992 /nfs/dbraw/zinc/70/49/92/659704992.db2.gz WLHVBFNCOXCBPG-PWSUYJOCSA-N 2 1 282.388 -0.465 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000990275943 659710558 /nfs/dbraw/zinc/71/05/58/659710558.db2.gz FNYUMRKERIDVJK-CHWSQXEVSA-N 2 1 294.399 -0.450 20 0 CBADMP CC[N@H+](CCC(=O)NC)C[C@H](O)C[NH+](C)C1CC1 ZINC000933862564 659743054 /nfs/dbraw/zinc/74/30/54/659743054.db2.gz JRSJKMCKEWQHSO-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+](CCC(=O)NC)C[C@H](O)C[NH+](C)C1CC1 ZINC000933862564 659743060 /nfs/dbraw/zinc/74/30/60/659743060.db2.gz JRSJKMCKEWQHSO-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CCC(=O)NC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000933862564 659743066 /nfs/dbraw/zinc/74/30/66/659743066.db2.gz JRSJKMCKEWQHSO-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CCC(=O)NC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000933862564 659743072 /nfs/dbraw/zinc/74/30/72/659743072.db2.gz JRSJKMCKEWQHSO-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000934270008 659800114 /nfs/dbraw/zinc/80/01/14/659800114.db2.gz SDYUQCKTKPHAGD-RRFJBIMHSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934270008 659800115 /nfs/dbraw/zinc/80/01/15/659800115.db2.gz SDYUQCKTKPHAGD-RRFJBIMHSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934270008 659800117 /nfs/dbraw/zinc/80/01/17/659800117.db2.gz SDYUQCKTKPHAGD-RRFJBIMHSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)COC1CC[NH+](C)CC1 ZINC000935433370 659831501 /nfs/dbraw/zinc/83/15/01/659831501.db2.gz YBOODLPTSXWTTJ-UHFFFAOYSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+]1CCC(OCC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000935550085 659835374 /nfs/dbraw/zinc/83/53/74/659835374.db2.gz BXTMZMWXKLLSLF-UHFFFAOYSA-N 2 1 299.415 -0.064 20 0 CBADMP CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)[NH+](C)C ZINC000991708327 659841526 /nfs/dbraw/zinc/84/15/26/659841526.db2.gz FKTBXKVVSDLFHE-DGCLKSJQSA-N 2 1 296.415 -0.395 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000991710330 659841708 /nfs/dbraw/zinc/84/17/08/659841708.db2.gz MNGJDSXYCDLZFU-YPMHNXCESA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000991710330 659841709 /nfs/dbraw/zinc/84/17/09/659841709.db2.gz MNGJDSXYCDLZFU-YPMHNXCESA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000991710330 659841710 /nfs/dbraw/zinc/84/17/10/659841710.db2.gz MNGJDSXYCDLZFU-YPMHNXCESA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000995552357 659902337 /nfs/dbraw/zinc/90/23/37/659902337.db2.gz QOHWLTSJGBTSQE-RYUDHWBXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000995595034 659904718 /nfs/dbraw/zinc/90/47/18/659904718.db2.gz DFIQVHPMIRERRN-NWDGAFQWSA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000995595034 659904719 /nfs/dbraw/zinc/90/47/19/659904719.db2.gz DFIQVHPMIRERRN-NWDGAFQWSA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596691 659926650 /nfs/dbraw/zinc/92/66/50/659926650.db2.gz DVBRVHZCJRKBIH-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596691 659926656 /nfs/dbraw/zinc/92/66/56/659926656.db2.gz DVBRVHZCJRKBIH-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944167967 659934364 /nfs/dbraw/zinc/93/43/64/659934364.db2.gz HECIMKRMHSUKHE-OLZOCXBDSA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944535 659939096 /nfs/dbraw/zinc/93/90/96/659939096.db2.gz NANAKMZPWYXGSF-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC(N)=O ZINC000947936260 659963061 /nfs/dbraw/zinc/96/30/61/659963061.db2.gz UCJXLDCJIBFYFV-NWDGAFQWSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(N)=O ZINC000947936260 659963062 /nfs/dbraw/zinc/96/30/62/659963062.db2.gz UCJXLDCJIBFYFV-NWDGAFQWSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@H]1C[C@H](NC(=O)Cn2ccnc2)CC[N@@H+]1CC(N)=O ZINC000948089294 659965505 /nfs/dbraw/zinc/96/55/05/659965505.db2.gz BUJWBNNHYXSZHI-WDEREUQCSA-N 2 1 279.344 -0.663 20 0 CBADMP C[C@H]1C[C@H](NC(=O)Cn2ccnc2)CC[N@H+]1CC(N)=O ZINC000948089294 659965508 /nfs/dbraw/zinc/96/55/08/659965508.db2.gz BUJWBNNHYXSZHI-WDEREUQCSA-N 2 1 279.344 -0.663 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CC2)C[C@H]1O ZINC001076812591 805629829 /nfs/dbraw/zinc/62/98/29/805629829.db2.gz MQEVWBGDGBWBFX-JHJVBQTASA-N 2 1 267.373 -0.348 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CC2)C[C@H]1O ZINC001076812591 805629836 /nfs/dbraw/zinc/62/98/36/805629836.db2.gz MQEVWBGDGBWBFX-JHJVBQTASA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001076812591 805629842 /nfs/dbraw/zinc/62/98/42/805629842.db2.gz MQEVWBGDGBWBFX-JHJVBQTASA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001076812591 805629848 /nfs/dbraw/zinc/62/98/48/805629848.db2.gz MQEVWBGDGBWBFX-JHJVBQTASA-N 2 1 267.373 -0.348 20 0 CBADMP C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000076399877 790358748 /nfs/dbraw/zinc/35/87/48/790358748.db2.gz QAQNMALPWCISNT-CQSZACIVSA-N 2 1 268.405 -0.702 20 0 CBADMP CN1CC[NH+](CCCNC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000089746538 790368940 /nfs/dbraw/zinc/36/89/40/790368940.db2.gz ZGAWNVUKHUWEGE-CYBMUJFWSA-N 2 1 268.405 -0.260 20 0 CBADMP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CC[NH+](CCO)CC1 ZINC000136805011 790393619 /nfs/dbraw/zinc/39/36/19/790393619.db2.gz AZBIWJXYIZSKLJ-NSHDSACASA-N 2 1 257.378 -0.114 20 0 CBADMP COC[C@H](C)OC[C@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000234805923 790444820 /nfs/dbraw/zinc/44/48/20/790444820.db2.gz UZKRVXFBSGSFHX-UONOGXRCSA-N 2 1 289.420 -0.764 20 0 CBADMP COC1(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC[NH2+]CC1 ZINC000385332247 790539176 /nfs/dbraw/zinc/53/91/76/790539176.db2.gz QJDSKXUYUHQMSE-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385139309 790539494 /nfs/dbraw/zinc/53/94/94/790539494.db2.gz LVLSQNZBBZQAIJ-IGQOVBAYSA-N 2 1 271.405 -0.583 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000386291129 790545093 /nfs/dbraw/zinc/54/50/93/790545093.db2.gz CVHHIKKKVWUEOM-OLZOCXBDSA-N 2 1 259.394 -0.405 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000386059434 790546620 /nfs/dbraw/zinc/54/66/20/790546620.db2.gz DFQXXSUPGWUPAB-LPEHRKFASA-N 2 1 254.334 -0.628 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000386059434 790546627 /nfs/dbraw/zinc/54/66/27/790546627.db2.gz DFQXXSUPGWUPAB-LPEHRKFASA-N 2 1 254.334 -0.628 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000386343914 790548083 /nfs/dbraw/zinc/54/80/83/790548083.db2.gz LZCINABJRGQPDU-AVGNSLFASA-N 2 1 259.394 -0.392 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000386334312 790548239 /nfs/dbraw/zinc/54/82/39/790548239.db2.gz QJJNJWNDWOHBHF-GFCCVEGCSA-N 2 1 255.362 -0.535 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000386334312 790548247 /nfs/dbraw/zinc/54/82/47/790548247.db2.gz QJJNJWNDWOHBHF-GFCCVEGCSA-N 2 1 255.362 -0.535 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC000386334312 790548257 /nfs/dbraw/zinc/54/82/57/790548257.db2.gz QJJNJWNDWOHBHF-GFCCVEGCSA-N 2 1 255.362 -0.535 20 0 CBADMP CC1(C)C[N@@H+](CC(=O)N2CC[NH2+]CC2)CCCO1 ZINC000386556366 790548458 /nfs/dbraw/zinc/54/84/58/790548458.db2.gz URXCASBRALINIH-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000388376046 790555661 /nfs/dbraw/zinc/55/56/61/790555661.db2.gz QMFZUAWSZYMWPX-HZSPNIEDSA-N 2 1 271.405 -0.248 20 0 CBADMP OCCOC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000387154977 790551033 /nfs/dbraw/zinc/55/10/33/790551033.db2.gz WRWAYZCWROUVHI-CYBMUJFWSA-N 2 1 272.389 -0.084 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000388673181 790558491 /nfs/dbraw/zinc/55/84/91/790558491.db2.gz CXMZZMLKCLEPAY-MELADBBJSA-N 2 1 273.421 -0.015 20 0 CBADMP OCC[NH+]1CCC([NH2+]CC2(O)CCOCC2)CC1 ZINC000398999715 790597768 /nfs/dbraw/zinc/59/77/68/790597768.db2.gz RWRAMBCEQMNHRG-UHFFFAOYSA-N 2 1 258.362 -0.426 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCN2CCOC2=O)C1 ZINC000403184924 790611027 /nfs/dbraw/zinc/61/10/27/790611027.db2.gz RRVBKQIITJNSKI-LLVKDONJSA-N 2 1 284.360 -0.775 20 0 CBADMP CC(C)(C)[NH2+]CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405310500 790616233 /nfs/dbraw/zinc/61/62/33/790616233.db2.gz OJOBZFZTVYBVPS-WDEREUQCSA-N 2 1 255.362 -0.348 20 0 CBADMP O[C@@H](CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCCC1 ZINC000405258785 790616270 /nfs/dbraw/zinc/61/62/70/790616270.db2.gz NNWDXALGPOONJT-BFHYXJOUSA-N 2 1 269.389 -0.806 20 0 CBADMP CCNS(=O)(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405461728 790618391 /nfs/dbraw/zinc/61/83/91/790618391.db2.gz ZXMYSTIZSFTXTQ-NXEZZACHSA-N 2 1 261.391 -0.215 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000686191469 790648930 /nfs/dbraw/zinc/64/89/30/790648930.db2.gz AGTCSFGRWOAKPS-NSHDSACASA-N 2 1 255.362 -0.489 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](C)[C@H](CO)C1 ZINC000687593827 790658316 /nfs/dbraw/zinc/65/83/16/790658316.db2.gz MZBORKKXXXUXHW-QWHCGFSZSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)[C@H](CO)C1 ZINC000687593827 790658324 /nfs/dbraw/zinc/65/83/24/790658324.db2.gz MZBORKKXXXUXHW-QWHCGFSZSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@H+](C)[C@H](CO)C1 ZINC000687593827 790658329 /nfs/dbraw/zinc/65/83/29/790658329.db2.gz MZBORKKXXXUXHW-QWHCGFSZSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)[C@H](CO)C1 ZINC000687593827 790658336 /nfs/dbraw/zinc/65/83/36/790658336.db2.gz MZBORKKXXXUXHW-QWHCGFSZSA-N 2 1 259.394 -0.704 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000692012305 790675977 /nfs/dbraw/zinc/67/59/77/790675977.db2.gz CCFUKJHJKPLGDP-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)CC[C@@H]1C[NH3+] ZINC000695399395 790689124 /nfs/dbraw/zinc/68/91/24/790689124.db2.gz JYHPYAFWFCMDJS-NXEZZACHSA-N 2 1 254.334 -0.545 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CCN1CCCS1(=O)=O ZINC000695237346 790689683 /nfs/dbraw/zinc/68/96/83/790689683.db2.gz WAFMPMSZYOEWPD-UHFFFAOYSA-N 2 1 279.406 -0.810 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CCN1CCCS1(=O)=O ZINC000695237346 790689688 /nfs/dbraw/zinc/68/96/88/790689688.db2.gz WAFMPMSZYOEWPD-UHFFFAOYSA-N 2 1 279.406 -0.810 20 0 CBADMP C[N@@H+]1CCN(C(=O)CC[NH2+]C(C)(C)C)[C@H](CO)C1 ZINC000699486760 790703597 /nfs/dbraw/zinc/70/35/97/790703597.db2.gz MKHKKDWGZAAICI-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CCN(C(=O)CC[NH2+]C(C)(C)C)[C@H](CO)C1 ZINC000699486760 790703607 /nfs/dbraw/zinc/70/36/07/790703607.db2.gz MKHKKDWGZAAICI-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1COCCN1C ZINC000700215281 790708718 /nfs/dbraw/zinc/70/87/18/790708718.db2.gz HSSYZKQVPVAHQE-QWHCGFSZSA-N 2 1 259.394 -0.391 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1COCCN1C ZINC000700215275 790708782 /nfs/dbraw/zinc/70/87/82/790708782.db2.gz HSSYZKQVPVAHQE-CHWSQXEVSA-N 2 1 259.394 -0.391 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)[C@]3(C)C[NH2+]CCO3)C[C@]2(C)C1 ZINC000710783334 790740646 /nfs/dbraw/zinc/74/06/46/790740646.db2.gz LXXBWZQXFXTMCR-XBFCOCLRSA-N 2 1 267.373 -0.225 20 0 CBADMP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000711246702 790744640 /nfs/dbraw/zinc/74/46/40/790744640.db2.gz AMCKYJJQLPVUTD-STQMWFEESA-N 2 1 280.416 -0.262 20 0 CBADMP [NH3+]CCS(=O)(=O)NCC1C[NH+](Cc2ccccc2)C1 ZINC000716187623 790754397 /nfs/dbraw/zinc/75/43/97/790754397.db2.gz AWKUGFXWTDLUMA-UHFFFAOYSA-N 2 1 283.397 -0.004 20 0 CBADMP C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000720416459 790764880 /nfs/dbraw/zinc/76/48/80/790764880.db2.gz PXQUFZRTZLFCDC-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP COC[C@@H](C)OC[C@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720646101 790769438 /nfs/dbraw/zinc/76/94/38/790769438.db2.gz IMCRAKOBFODJLM-XJFOESAGSA-N 2 1 272.389 -0.060 20 0 CBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720635287 790769870 /nfs/dbraw/zinc/76/98/70/790769870.db2.gz XBCCJLHPGQZVTK-RWMBFGLXSA-N 2 1 258.362 -0.448 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720830994 790772279 /nfs/dbraw/zinc/77/22/79/790772279.db2.gz URRXMHDVRWSSAK-NWDGAFQWSA-N 2 1 259.394 -0.405 20 0 CBADMP C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)C1C[NH2+]C1 ZINC000721844660 790784274 /nfs/dbraw/zinc/78/42/74/790784274.db2.gz LKGIEJPJBAATSS-SNVBAGLBSA-N 2 1 261.391 -0.391 20 0 CBADMP CN(C)c1nc(N)nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000723678437 790801287 /nfs/dbraw/zinc/80/12/87/790801287.db2.gz QJFPUXWHTPKWFG-SECBINFHSA-N 2 1 265.365 -0.310 20 0 CBADMP CN(C)c1nc(N)nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000723678437 790801293 /nfs/dbraw/zinc/80/12/93/790801293.db2.gz QJFPUXWHTPKWFG-SECBINFHSA-N 2 1 265.365 -0.310 20 0 CBADMP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723696856 790801951 /nfs/dbraw/zinc/80/19/51/790801951.db2.gz ZIAXPGUDQVJQLU-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724937515 790814620 /nfs/dbraw/zinc/81/46/20/790814620.db2.gz VNLUDWLCRXDZGI-CHWSQXEVSA-N 2 1 285.388 -0.421 20 0 CBADMP C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)O[C@H]1CCOC1 ZINC000724930050 790814444 /nfs/dbraw/zinc/81/44/44/790814444.db2.gz GDUZYRVBJFXIHL-KBPBESRZSA-N 2 1 269.389 -0.229 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)C1CC1 ZINC000724591361 790807805 /nfs/dbraw/zinc/80/78/05/790807805.db2.gz NZHYFARWVQWGTC-ZRJCITRHSA-N 2 1 270.373 -0.165 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)C1CC1 ZINC000724591361 790807817 /nfs/dbraw/zinc/80/78/17/790807817.db2.gz NZHYFARWVQWGTC-ZRJCITRHSA-N 2 1 270.373 -0.165 20 0 CBADMP COCCOC[C@H](O)C[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000725046792 790815651 /nfs/dbraw/zinc/81/56/51/790815651.db2.gz IDQKHYGRTACGOH-GFCCVEGCSA-N 2 1 276.377 -0.550 20 0 CBADMP COCCOC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000725046792 790815664 /nfs/dbraw/zinc/81/56/64/790815664.db2.gz IDQKHYGRTACGOH-GFCCVEGCSA-N 2 1 276.377 -0.550 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C)C1(C[NH3+])CCOCC1 ZINC000725048873 790816739 /nfs/dbraw/zinc/81/67/39/790816739.db2.gz QTEMFRVIIHMFIR-ZDUSSCGKSA-N 2 1 289.420 -0.635 20 0 CBADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000822126695 790832175 /nfs/dbraw/zinc/83/21/75/790832175.db2.gz BLOITLFBFHAINX-ZIAGYGMSSA-N 2 1 271.405 -0.247 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000822123734 790832826 /nfs/dbraw/zinc/83/28/26/790832826.db2.gz CEASEBKHDYZLKG-GFCCVEGCSA-N 2 1 254.378 -0.508 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000828697242 790889329 /nfs/dbraw/zinc/88/93/29/790889329.db2.gz JPFQIBXGDIIGCN-JSGCOSHPSA-N 2 1 283.372 -0.920 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000828697242 790889336 /nfs/dbraw/zinc/88/93/36/790889336.db2.gz JPFQIBXGDIIGCN-JSGCOSHPSA-N 2 1 283.372 -0.920 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000828752932 790896177 /nfs/dbraw/zinc/89/61/77/790896177.db2.gz ROFZMYZNULJECN-UMVBOHGHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000828752932 790896189 /nfs/dbraw/zinc/89/61/89/790896189.db2.gz ROFZMYZNULJECN-UMVBOHGHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000828752932 790896199 /nfs/dbraw/zinc/89/61/99/790896199.db2.gz ROFZMYZNULJECN-UMVBOHGHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000828752932 790896209 /nfs/dbraw/zinc/89/62/09/790896209.db2.gz ROFZMYZNULJECN-UMVBOHGHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+](C)C1CC(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000908011204 790912699 /nfs/dbraw/zinc/91/26/99/790912699.db2.gz COEVPMVXBFWLHK-TWHWIZHFSA-N 2 1 255.362 -0.350 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)C1 ZINC001021460909 790941114 /nfs/dbraw/zinc/94/11/14/790941114.db2.gz ODNMHWVOEWVTFT-WODVXLOZSA-N 2 1 294.399 -0.465 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)C1 ZINC001021460909 790941121 /nfs/dbraw/zinc/94/11/21/790941121.db2.gz ODNMHWVOEWVTFT-WODVXLOZSA-N 2 1 294.399 -0.465 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)C1 ZINC001021460909 790941129 /nfs/dbraw/zinc/94/11/29/790941129.db2.gz ODNMHWVOEWVTFT-WODVXLOZSA-N 2 1 294.399 -0.465 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001021896051 790966409 /nfs/dbraw/zinc/96/64/09/790966409.db2.gz UIFYZZZUFQBZQB-XQQFMLRXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001021906783 790968765 /nfs/dbraw/zinc/96/87/65/790968765.db2.gz YIASNRMYFQTLLX-NNYUYHANSA-N 2 1 255.362 -0.302 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001021906643 790969647 /nfs/dbraw/zinc/96/96/47/790969647.db2.gz UCFOSCJQYJIXHC-WHOHXGKFSA-N 2 1 282.388 -0.419 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001021906272 790969764 /nfs/dbraw/zinc/96/97/64/790969764.db2.gz JSFFAWPJEJOWQB-XQQFMLRXSA-N 2 1 292.387 -0.391 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCOC3)C2)C1 ZINC001021928524 790971495 /nfs/dbraw/zinc/97/14/95/790971495.db2.gz RHBQQPNASNDPMM-IGQOVBAYSA-N 2 1 297.399 -0.410 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCOC3)C2)C1 ZINC001021928524 790971500 /nfs/dbraw/zinc/97/15/00/790971500.db2.gz RHBQQPNASNDPMM-IGQOVBAYSA-N 2 1 297.399 -0.410 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001021906271 790969041 /nfs/dbraw/zinc/96/90/41/790969041.db2.gz JSFFAWPJEJOWQB-FRRDWIJNSA-N 2 1 292.387 -0.391 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022071423 790986573 /nfs/dbraw/zinc/98/65/73/790986573.db2.gz PNXZGEMKLJLBTK-TUAOUCFPSA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001022289965 791001900 /nfs/dbraw/zinc/00/19/00/791001900.db2.gz DIVPEINEQVVBNN-YFKTTZPYSA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)CC[N@H+]1C ZINC001022601917 791031336 /nfs/dbraw/zinc/03/13/36/791031336.db2.gz XRTHAQBJCCTUPP-ZDEQEGDKSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001022716486 791040454 /nfs/dbraw/zinc/04/04/54/791040454.db2.gz XTMUOYFIAFKVPT-WUHRBBMRSA-N 2 1 294.399 -0.547 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1)C2 ZINC001022719593 791042774 /nfs/dbraw/zinc/04/27/74/791042774.db2.gz MMPLHHALSVATRM-UPJWGTAASA-N 2 1 292.383 -0.017 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001147893452 814924354 /nfs/dbraw/zinc/92/43/54/814924354.db2.gz QQEJTYQKSJKDFK-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392813 805726088 /nfs/dbraw/zinc/72/60/88/805726088.db2.gz ROBYJUKAXSNJPQ-YNEHKIRRSA-N 2 1 296.371 -0.612 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392813 805726095 /nfs/dbraw/zinc/72/60/95/805726095.db2.gz ROBYJUKAXSNJPQ-YNEHKIRRSA-N 2 1 296.371 -0.612 20 0 CBADMP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392596 805726149 /nfs/dbraw/zinc/72/61/49/805726149.db2.gz IRFJPNWVBJIFBS-VXGBXAGGSA-N 2 1 266.345 -0.237 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392596 805726154 /nfs/dbraw/zinc/72/61/54/805726154.db2.gz IRFJPNWVBJIFBS-VXGBXAGGSA-N 2 1 266.345 -0.237 20 0 CBADMP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566709 805747828 /nfs/dbraw/zinc/74/78/28/805747828.db2.gz LRPKNIJSWUHLMS-MGPQQGTHSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566709 805747833 /nfs/dbraw/zinc/74/78/33/805747833.db2.gz LRPKNIJSWUHLMS-MGPQQGTHSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077566709 805747835 /nfs/dbraw/zinc/74/78/35/805747835.db2.gz LRPKNIJSWUHLMS-MGPQQGTHSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077566709 805747840 /nfs/dbraw/zinc/74/78/40/805747840.db2.gz LRPKNIJSWUHLMS-MGPQQGTHSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001077553977 805745774 /nfs/dbraw/zinc/74/57/74/805745774.db2.gz XOCMOTYQGYFKDO-MGPQQGTHSA-N 2 1 299.415 -0.738 20 0 CBADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001077553977 805745777 /nfs/dbraw/zinc/74/57/77/805745777.db2.gz XOCMOTYQGYFKDO-MGPQQGTHSA-N 2 1 299.415 -0.738 20 0 CBADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001077553977 805745781 /nfs/dbraw/zinc/74/57/81/805745781.db2.gz XOCMOTYQGYFKDO-MGPQQGTHSA-N 2 1 299.415 -0.738 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)c1nnnn1C ZINC001147886019 814925171 /nfs/dbraw/zinc/92/51/71/814925171.db2.gz RNIXNKCPKJIVLO-MNOVXSKESA-N 2 1 295.391 -0.681 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1nnnn1C ZINC001147886019 814925176 /nfs/dbraw/zinc/92/51/76/814925176.db2.gz RNIXNKCPKJIVLO-MNOVXSKESA-N 2 1 295.391 -0.681 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001077679037 805767080 /nfs/dbraw/zinc/76/70/80/805767080.db2.gz FIIUKQKOWJCFOW-MRVWCRGKSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)C1 ZINC001077679037 805767083 /nfs/dbraw/zinc/76/70/83/805767083.db2.gz FIIUKQKOWJCFOW-MRVWCRGKSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)C1 ZINC001077679037 805767091 /nfs/dbraw/zinc/76/70/91/805767091.db2.gz FIIUKQKOWJCFOW-MRVWCRGKSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777269 805781814 /nfs/dbraw/zinc/78/18/14/805781814.db2.gz DZLLOXKEHGRJOX-BFHYXJOUSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777269 805781816 /nfs/dbraw/zinc/78/18/16/805781816.db2.gz DZLLOXKEHGRJOX-BFHYXJOUSA-N 2 1 299.415 -0.596 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078018224 805823537 /nfs/dbraw/zinc/82/35/37/805823537.db2.gz UDDSGUDKYDEMMG-DGCLKSJQSA-N 2 1 278.356 -0.058 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078008640 805821394 /nfs/dbraw/zinc/82/13/94/805821394.db2.gz OLCVVOHTPUSXRJ-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078008640 805821404 /nfs/dbraw/zinc/82/14/04/805821404.db2.gz OLCVVOHTPUSXRJ-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078008640 805821414 /nfs/dbraw/zinc/82/14/14/805821414.db2.gz OLCVVOHTPUSXRJ-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)OC ZINC001078180044 805854817 /nfs/dbraw/zinc/85/48/17/805854817.db2.gz KNJKQGLTLIYMDV-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)OC ZINC001078180044 805854826 /nfs/dbraw/zinc/85/48/26/805854826.db2.gz KNJKQGLTLIYMDV-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001078205960 805856224 /nfs/dbraw/zinc/85/62/24/805856224.db2.gz KKJNPKFLTZUKKO-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001078205960 805856229 /nfs/dbraw/zinc/85/62/29/805856229.db2.gz KKJNPKFLTZUKKO-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001078205960 805856236 /nfs/dbraw/zinc/85/62/36/805856236.db2.gz KKJNPKFLTZUKKO-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001078205960 805856242 /nfs/dbraw/zinc/85/62/42/805856242.db2.gz KKJNPKFLTZUKKO-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001078209204 805859532 /nfs/dbraw/zinc/85/95/32/805859532.db2.gz DDKMJJZKZPAVFY-MGPQQGTHSA-N 2 1 297.399 -0.722 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001078209204 805859541 /nfs/dbraw/zinc/85/95/41/805859541.db2.gz DDKMJJZKZPAVFY-MGPQQGTHSA-N 2 1 297.399 -0.722 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)C1 ZINC001078209204 805859547 /nfs/dbraw/zinc/85/95/47/805859547.db2.gz DDKMJJZKZPAVFY-MGPQQGTHSA-N 2 1 297.399 -0.722 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)C1 ZINC001078209204 805859555 /nfs/dbraw/zinc/85/95/55/805859555.db2.gz DDKMJJZKZPAVFY-MGPQQGTHSA-N 2 1 297.399 -0.722 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001078510067 805878689 /nfs/dbraw/zinc/87/86/89/805878689.db2.gz PQEKIVHTQFPQIH-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001078510067 805878701 /nfs/dbraw/zinc/87/87/01/805878701.db2.gz PQEKIVHTQFPQIH-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001147900684 814926344 /nfs/dbraw/zinc/92/63/44/814926344.db2.gz UIULCHPYVGBVPP-VXGBXAGGSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079965424 805953473 /nfs/dbraw/zinc/95/34/73/805953473.db2.gz IQLYPORHJWUYFZ-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079965424 805953479 /nfs/dbraw/zinc/95/34/79/805953479.db2.gz IQLYPORHJWUYFZ-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001079965424 805953484 /nfs/dbraw/zinc/95/34/84/805953484.db2.gz IQLYPORHJWUYFZ-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001079965424 805953490 /nfs/dbraw/zinc/95/34/90/805953490.db2.gz IQLYPORHJWUYFZ-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080382537 805976244 /nfs/dbraw/zinc/97/62/44/805976244.db2.gz QAHNMISOAGKFCO-NQBHXWOUSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080382537 805976247 /nfs/dbraw/zinc/97/62/47/805976247.db2.gz QAHNMISOAGKFCO-NQBHXWOUSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2OC)CC[N@H+]1C ZINC001081699411 806115776 /nfs/dbraw/zinc/11/57/76/806115776.db2.gz VBZVKXYLFYHDAH-REWJHTLYSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2OC)CC[NH+]1C ZINC001081699411 806115784 /nfs/dbraw/zinc/11/57/84/806115784.db2.gz VBZVKXYLFYHDAH-REWJHTLYSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2OC)CC[NH+]1C ZINC001081699411 806115791 /nfs/dbraw/zinc/11/57/91/806115791.db2.gz VBZVKXYLFYHDAH-REWJHTLYSA-N 2 1 299.415 -0.476 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326892 806165223 /nfs/dbraw/zinc/16/52/23/806165223.db2.gz UFYDNCORTVVWOF-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326892 806165228 /nfs/dbraw/zinc/16/52/28/806165228.db2.gz UFYDNCORTVVWOF-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326892 806165236 /nfs/dbraw/zinc/16/52/36/806165236.db2.gz UFYDNCORTVVWOF-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001082377561 806170402 /nfs/dbraw/zinc/17/04/02/806170402.db2.gz VQZAJILMZCWRPD-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001082377561 806170409 /nfs/dbraw/zinc/17/04/09/806170409.db2.gz VQZAJILMZCWRPD-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](OC)C1 ZINC001082377561 806170417 /nfs/dbraw/zinc/17/04/17/806170417.db2.gz VQZAJILMZCWRPD-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](OC)C1 ZINC001082377561 806170421 /nfs/dbraw/zinc/17/04/21/806170421.db2.gz VQZAJILMZCWRPD-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082459045 806180852 /nfs/dbraw/zinc/18/08/52/806180852.db2.gz JKJVQGZDGTXTHS-IJLUTSLNSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082459045 806180856 /nfs/dbraw/zinc/18/08/56/806180856.db2.gz JKJVQGZDGTXTHS-IJLUTSLNSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001082742541 806193754 /nfs/dbraw/zinc/19/37/54/806193754.db2.gz JIMOHPUFHHHUQT-IJLUTSLNSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CCO ZINC001082740822 806193919 /nfs/dbraw/zinc/19/39/19/806193919.db2.gz HKAGZHFJXBDBGF-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCCO)C[C@@H]32)C1 ZINC001083275018 806243929 /nfs/dbraw/zinc/24/39/29/806243929.db2.gz LMVQWHXCSSUGSB-HZSPNIEDSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)C1 ZINC001083275018 806243934 /nfs/dbraw/zinc/24/39/34/806243934.db2.gz LMVQWHXCSSUGSB-HZSPNIEDSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)C1 ZINC001083275018 806243943 /nfs/dbraw/zinc/24/39/43/806243943.db2.gz LMVQWHXCSSUGSB-HZSPNIEDSA-N 2 1 297.399 -0.768 20 0 CBADMP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373075 806288804 /nfs/dbraw/zinc/28/88/04/806288804.db2.gz QPXZTPKDPSDEJG-UPJWGTAASA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373075 806288808 /nfs/dbraw/zinc/28/88/08/806288808.db2.gz QPXZTPKDPSDEJG-UPJWGTAASA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083373075 806288809 /nfs/dbraw/zinc/28/88/09/806288809.db2.gz QPXZTPKDPSDEJG-UPJWGTAASA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083373075 806288812 /nfs/dbraw/zinc/28/88/12/806288812.db2.gz QPXZTPKDPSDEJG-UPJWGTAASA-N 2 1 269.389 -0.102 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)CC[N@H+]1C ZINC001083473930 806334414 /nfs/dbraw/zinc/33/44/14/806334414.db2.gz FKKQFKIGMVEWPE-DGAVXFQQSA-N 2 1 299.415 -0.740 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)CC[NH+]1C ZINC001083473930 806334423 /nfs/dbraw/zinc/33/44/23/806334423.db2.gz FKKQFKIGMVEWPE-DGAVXFQQSA-N 2 1 299.415 -0.740 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CC[NH+]1C ZINC001083473930 806334432 /nfs/dbraw/zinc/33/44/32/806334432.db2.gz FKKQFKIGMVEWPE-DGAVXFQQSA-N 2 1 299.415 -0.740 20 0 CBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1O ZINC001083506075 806347915 /nfs/dbraw/zinc/34/79/15/806347915.db2.gz OVLOEEJNYYYIQZ-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1O ZINC001083506075 806347924 /nfs/dbraw/zinc/34/79/24/806347924.db2.gz OVLOEEJNYYYIQZ-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O ZINC001083506075 806347934 /nfs/dbraw/zinc/34/79/34/806347934.db2.gz OVLOEEJNYYYIQZ-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001083506075 806347939 /nfs/dbraw/zinc/34/79/39/806347939.db2.gz OVLOEEJNYYYIQZ-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083519005 806351459 /nfs/dbraw/zinc/35/14/59/806351459.db2.gz ZFQNRUBRVQSTMW-MJBXVCDLSA-N 2 1 299.415 -0.882 20 0 CBADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001083519005 806351469 /nfs/dbraw/zinc/35/14/69/806351469.db2.gz ZFQNRUBRVQSTMW-MJBXVCDLSA-N 2 1 299.415 -0.882 20 0 CBADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001083519005 806351477 /nfs/dbraw/zinc/35/14/77/806351477.db2.gz ZFQNRUBRVQSTMW-MJBXVCDLSA-N 2 1 299.415 -0.882 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601566 806380213 /nfs/dbraw/zinc/38/02/13/806380213.db2.gz BOERBISTHMEFOK-XQQFMLRXSA-N 2 1 297.399 -0.843 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601566 806380222 /nfs/dbraw/zinc/38/02/22/806380222.db2.gz BOERBISTHMEFOK-XQQFMLRXSA-N 2 1 297.399 -0.843 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645252 806389427 /nfs/dbraw/zinc/38/94/27/806389427.db2.gz ROBYJUKAXSNJPQ-UPJWGTAASA-N 2 1 296.371 -0.612 20 0 CBADMP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645252 806389436 /nfs/dbraw/zinc/38/94/36/806389436.db2.gz ROBYJUKAXSNJPQ-UPJWGTAASA-N 2 1 296.371 -0.612 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001083734173 806416964 /nfs/dbraw/zinc/41/69/64/806416964.db2.gz UGQLCWXACXGKOS-YUTCNCBUSA-N 2 1 292.383 -0.065 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001083734173 806416968 /nfs/dbraw/zinc/41/69/68/806416968.db2.gz UGQLCWXACXGKOS-YUTCNCBUSA-N 2 1 292.383 -0.065 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833024 806441842 /nfs/dbraw/zinc/44/18/42/806441842.db2.gz FYUQCEZUXWVFQP-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056705 806481341 /nfs/dbraw/zinc/48/13/41/806481341.db2.gz KPIVKABHVBTLOZ-UTUOFQBUSA-N 2 1 255.362 -0.492 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084056705 806481345 /nfs/dbraw/zinc/48/13/45/806481345.db2.gz KPIVKABHVBTLOZ-UTUOFQBUSA-N 2 1 255.362 -0.492 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084056705 806481351 /nfs/dbraw/zinc/48/13/51/806481351.db2.gz KPIVKABHVBTLOZ-UTUOFQBUSA-N 2 1 255.362 -0.492 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056715 806482235 /nfs/dbraw/zinc/48/22/35/806482235.db2.gz KXHDXVNQUDJTDB-TUAOUCFPSA-N 2 1 255.362 -0.491 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084056715 806482239 /nfs/dbraw/zinc/48/22/39/806482239.db2.gz KXHDXVNQUDJTDB-TUAOUCFPSA-N 2 1 255.362 -0.491 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084056715 806482241 /nfs/dbraw/zinc/48/22/41/806482241.db2.gz KXHDXVNQUDJTDB-TUAOUCFPSA-N 2 1 255.362 -0.491 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001084059616 806484169 /nfs/dbraw/zinc/48/41/69/806484169.db2.gz QCDAXNKPERDZCJ-OLZOCXBDSA-N 2 1 278.356 -0.237 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001084059616 806484174 /nfs/dbraw/zinc/48/41/74/806484174.db2.gz QCDAXNKPERDZCJ-OLZOCXBDSA-N 2 1 278.356 -0.237 20 0 CBADMP CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060124 806484331 /nfs/dbraw/zinc/48/43/31/806484331.db2.gz IOSKGSVYHMGCAS-NEPJUHHUSA-N 2 1 266.345 -0.237 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060124 806484335 /nfs/dbraw/zinc/48/43/35/806484335.db2.gz IOSKGSVYHMGCAS-NEPJUHHUSA-N 2 1 266.345 -0.237 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(C)C)C[C@@H]2O)C1 ZINC001084079153 806486250 /nfs/dbraw/zinc/48/62/50/806486250.db2.gz YCGOLIADWFYVMV-RDBSUJKOSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(C)C)C[C@@H]2O)C1 ZINC001084079153 806486255 /nfs/dbraw/zinc/48/62/55/806486255.db2.gz YCGOLIADWFYVMV-RDBSUJKOSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC(C)C)C[C@@H]2O)C1 ZINC001084079153 806486257 /nfs/dbraw/zinc/48/62/57/806486257.db2.gz YCGOLIADWFYVMV-RDBSUJKOSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC(C)C)C[C@@H]2O)C1 ZINC001084079153 806486260 /nfs/dbraw/zinc/48/62/60/806486260.db2.gz YCGOLIADWFYVMV-RDBSUJKOSA-N 2 1 299.415 -0.476 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCCO)C[C@H]21 ZINC001084231587 806503918 /nfs/dbraw/zinc/50/39/18/806503918.db2.gz FBAYUPXHQASZMW-MGPQQGTHSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084231587 806503927 /nfs/dbraw/zinc/50/39/27/806503927.db2.gz FBAYUPXHQASZMW-MGPQQGTHSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001084231587 806503938 /nfs/dbraw/zinc/50/39/38/806503938.db2.gz FBAYUPXHQASZMW-MGPQQGTHSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CN3CCCC3)[C@@H]2C1 ZINC001084831786 806537345 /nfs/dbraw/zinc/53/73/45/806537345.db2.gz ZMOYXEYWQKZULU-JHJVBQTASA-N 2 1 294.399 -0.511 20 0 CBADMP CCN1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)C1 ZINC001084844119 806539171 /nfs/dbraw/zinc/53/91/71/806539171.db2.gz GYRCYFNKYJRJLF-MGPQQGTHSA-N 2 1 297.399 -0.768 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084844119 806539176 /nfs/dbraw/zinc/53/91/76/806539176.db2.gz GYRCYFNKYJRJLF-MGPQQGTHSA-N 2 1 297.399 -0.768 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084844119 806539181 /nfs/dbraw/zinc/53/91/81/806539181.db2.gz GYRCYFNKYJRJLF-MGPQQGTHSA-N 2 1 297.399 -0.768 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)C1 ZINC001084844119 806539191 /nfs/dbraw/zinc/53/91/91/806539191.db2.gz GYRCYFNKYJRJLF-MGPQQGTHSA-N 2 1 297.399 -0.768 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085152532 806548755 /nfs/dbraw/zinc/54/87/55/806548755.db2.gz HYFMCPUUHCPHNO-UTUOFQBUSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927759 806623174 /nfs/dbraw/zinc/62/31/74/806623174.db2.gz GILXMTVTSOOURI-QWHCGFSZSA-N 2 1 281.400 -0.004 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCO)C1 ZINC001085980064 806629311 /nfs/dbraw/zinc/62/93/11/806629311.db2.gz IJFXHBXKCYNQFW-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCO)C1 ZINC001085980064 806629317 /nfs/dbraw/zinc/62/93/17/806629317.db2.gz IJFXHBXKCYNQFW-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCO)C1 ZINC001085980064 806629321 /nfs/dbraw/zinc/62/93/21/806629321.db2.gz IJFXHBXKCYNQFW-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCCO)C1 ZINC001085980064 806629324 /nfs/dbraw/zinc/62/93/24/806629324.db2.gz IJFXHBXKCYNQFW-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001086047520 806638682 /nfs/dbraw/zinc/63/86/82/806638682.db2.gz TTYQTFBAADPRSV-QNWHQSFQSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001086047068 806639048 /nfs/dbraw/zinc/63/90/48/806639048.db2.gz CSFVMNXUUGOETQ-WISYIIOYSA-N 2 1 282.388 -0.561 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001022973535 798870231 /nfs/dbraw/zinc/87/02/31/798870231.db2.gz OBJMAIPRRJPRPR-WUHRBBMRSA-N 2 1 294.399 -0.547 20 0 CBADMP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001023086874 798879378 /nfs/dbraw/zinc/87/93/78/798879378.db2.gz ZVURNLRDAYIRSJ-WUHRBBMRSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023086450 798879609 /nfs/dbraw/zinc/87/96/09/798879609.db2.gz MEJJGVAIJFVQHX-KXNHARMFSA-N 2 1 255.362 -0.444 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001023083930 798879829 /nfs/dbraw/zinc/87/98/29/798879829.db2.gz DPZISFOFMXPMKM-NDBYEHHHSA-N 2 1 294.399 -0.547 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001023083931 798880306 /nfs/dbraw/zinc/88/03/06/798880306.db2.gz DPZISFOFMXPMKM-RVMXOQNASA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023086448 798880502 /nfs/dbraw/zinc/88/05/02/798880502.db2.gz MEJJGVAIJFVQHX-FIQHERPVSA-N 2 1 255.362 -0.444 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001023093844 798881082 /nfs/dbraw/zinc/88/10/82/798881082.db2.gz PPXIJKIQARJVKO-JLLWLGSASA-N 2 1 266.345 -0.191 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001023273147 798896155 /nfs/dbraw/zinc/89/61/55/798896155.db2.gz JSDAQGGZSANTSP-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001023273147 798896158 /nfs/dbraw/zinc/89/61/58/798896158.db2.gz JSDAQGGZSANTSP-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023273147 798896161 /nfs/dbraw/zinc/89/61/61/798896161.db2.gz JSDAQGGZSANTSP-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+](CCCO)C2)C1 ZINC001023292607 798898353 /nfs/dbraw/zinc/89/83/53/798898353.db2.gz YPKVNWRFGSXTJQ-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+](CCCO)C2)C1 ZINC001023292607 798898357 /nfs/dbraw/zinc/89/83/57/798898357.db2.gz YPKVNWRFGSXTJQ-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC001023292607 798898359 /nfs/dbraw/zinc/89/83/59/798898359.db2.gz YPKVNWRFGSXTJQ-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC001023292607 798898363 /nfs/dbraw/zinc/89/83/63/798898363.db2.gz YPKVNWRFGSXTJQ-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001023445740 798906075 /nfs/dbraw/zinc/90/60/75/798906075.db2.gz ADERGRZEUKPENL-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001023445740 798906082 /nfs/dbraw/zinc/90/60/82/798906082.db2.gz ADERGRZEUKPENL-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001023445740 798906086 /nfs/dbraw/zinc/90/60/86/798906086.db2.gz ADERGRZEUKPENL-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001023445740 798906093 /nfs/dbraw/zinc/90/60/93/798906093.db2.gz ADERGRZEUKPENL-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP COCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024375293 798934870 /nfs/dbraw/zinc/93/48/70/798934870.db2.gz QLWLSRYXPWCTOO-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024375293 798934875 /nfs/dbraw/zinc/93/48/75/798934875.db2.gz QLWLSRYXPWCTOO-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001024375293 798934879 /nfs/dbraw/zinc/93/48/79/798934879.db2.gz QLWLSRYXPWCTOO-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001024375293 798934884 /nfs/dbraw/zinc/93/48/84/798934884.db2.gz QLWLSRYXPWCTOO-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001025708148 798971604 /nfs/dbraw/zinc/97/16/04/798971604.db2.gz KSYIMZJCEMKJAQ-IEECTRCBSA-N 2 1 267.373 -0.492 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001025708148 798971612 /nfs/dbraw/zinc/97/16/12/798971612.db2.gz KSYIMZJCEMKJAQ-IEECTRCBSA-N 2 1 267.373 -0.492 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001025708148 798971618 /nfs/dbraw/zinc/97/16/18/798971618.db2.gz KSYIMZJCEMKJAQ-IEECTRCBSA-N 2 1 267.373 -0.492 20 0 CBADMP CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719404 798972232 /nfs/dbraw/zinc/97/22/32/798972232.db2.gz SFSXRFXHDQVYKG-DGTMBMJNSA-N 2 1 297.399 -0.602 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719404 798972234 /nfs/dbraw/zinc/97/22/34/798972234.db2.gz SFSXRFXHDQVYKG-DGTMBMJNSA-N 2 1 297.399 -0.602 20 0 CBADMP CO[C@H](C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001025719404 798972237 /nfs/dbraw/zinc/97/22/37/798972237.db2.gz SFSXRFXHDQVYKG-DGTMBMJNSA-N 2 1 297.399 -0.602 20 0 CBADMP CO[C@H](C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001025719404 798972241 /nfs/dbraw/zinc/97/22/41/798972241.db2.gz SFSXRFXHDQVYKG-DGTMBMJNSA-N 2 1 297.399 -0.602 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001025787215 798976875 /nfs/dbraw/zinc/97/68/75/798976875.db2.gz AROKOIFXSCBENA-XFZHLKPQSA-N 2 1 293.411 -0.245 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798637 798977311 /nfs/dbraw/zinc/97/73/11/798977311.db2.gz BKYCDYRRLYIQKE-DGTMBMJNSA-N 2 1 297.374 -0.135 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798637 798977314 /nfs/dbraw/zinc/97/73/14/798977314.db2.gz BKYCDYRRLYIQKE-DGTMBMJNSA-N 2 1 297.374 -0.135 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH+](CCF)C[C@H]21)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025798637 798977317 /nfs/dbraw/zinc/97/73/17/798977317.db2.gz BKYCDYRRLYIQKE-DGTMBMJNSA-N 2 1 297.374 -0.135 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH+](CCF)C[C@H]21)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025798637 798977319 /nfs/dbraw/zinc/97/73/19/798977319.db2.gz BKYCDYRRLYIQKE-DGTMBMJNSA-N 2 1 297.374 -0.135 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001025820385 798979068 /nfs/dbraw/zinc/97/90/68/798979068.db2.gz USFJTXULTKEBAN-KIJLLGNVSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001025820385 798979071 /nfs/dbraw/zinc/97/90/71/798979071.db2.gz USFJTXULTKEBAN-KIJLLGNVSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001025820385 798979076 /nfs/dbraw/zinc/97/90/76/798979076.db2.gz USFJTXULTKEBAN-KIJLLGNVSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC001025820385 798979081 /nfs/dbraw/zinc/97/90/81/798979081.db2.gz USFJTXULTKEBAN-KIJLLGNVSA-N 2 1 294.399 -0.609 20 0 CBADMP 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 798987794 /nfs/dbraw/zinc/98/77/94/798987794.db2.gz JNJAGHGFSXUPCX-JZRPKSSGSA-N 2 1 267.373 -0.777 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001026045787 798987797 /nfs/dbraw/zinc/98/77/97/798987797.db2.gz JNJAGHGFSXUPCX-JZRPKSSGSA-N 2 1 267.373 -0.777 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001026045787 798987800 /nfs/dbraw/zinc/98/78/00/798987800.db2.gz JNJAGHGFSXUPCX-JZRPKSSGSA-N 2 1 267.373 -0.777 20 0 CBADMP 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 798987857 /nfs/dbraw/zinc/98/78/57/798987857.db2.gz JNJAGHGFSXUPCX-FHUSYTEZSA-N 2 1 267.373 -0.777 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001026045784 798987859 /nfs/dbraw/zinc/98/78/59/798987859.db2.gz JNJAGHGFSXUPCX-FHUSYTEZSA-N 2 1 267.373 -0.777 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001026045784 798987861 /nfs/dbraw/zinc/98/78/61/798987861.db2.gz JNJAGHGFSXUPCX-FHUSYTEZSA-N 2 1 267.373 -0.777 20 0 CBADMP C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027346472 799042190 /nfs/dbraw/zinc/04/21/90/799042190.db2.gz IDKLPFHXAOVGTB-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027346472 799042194 /nfs/dbraw/zinc/04/21/94/799042194.db2.gz IDKLPFHXAOVGTB-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001027346472 799042200 /nfs/dbraw/zinc/04/22/00/799042200.db2.gz IDKLPFHXAOVGTB-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001027346472 799042203 /nfs/dbraw/zinc/04/22/03/799042203.db2.gz IDKLPFHXAOVGTB-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680921 799065425 /nfs/dbraw/zinc/06/54/25/799065425.db2.gz LZRSJKAPGUBVPB-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027680921 799065430 /nfs/dbraw/zinc/06/54/30/799065430.db2.gz LZRSJKAPGUBVPB-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027680921 799065432 /nfs/dbraw/zinc/06/54/32/799065432.db2.gz LZRSJKAPGUBVPB-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCO ZINC001027789324 799078127 /nfs/dbraw/zinc/07/81/27/799078127.db2.gz HFHKRHFDPUJYFW-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCO ZINC001027789324 799078134 /nfs/dbraw/zinc/07/81/34/799078134.db2.gz HFHKRHFDPUJYFW-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001027789324 799078140 /nfs/dbraw/zinc/07/81/40/799078140.db2.gz HFHKRHFDPUJYFW-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC001027806235 799081696 /nfs/dbraw/zinc/08/16/96/799081696.db2.gz FMBYHBQHBIMQLL-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC001027806235 799081699 /nfs/dbraw/zinc/08/16/99/799081699.db2.gz FMBYHBQHBIMQLL-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001027806235 799081702 /nfs/dbraw/zinc/08/17/02/799081702.db2.gz FMBYHBQHBIMQLL-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001027806235 799081706 /nfs/dbraw/zinc/08/17/06/799081706.db2.gz FMBYHBQHBIMQLL-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027892047 799092857 /nfs/dbraw/zinc/09/28/57/799092857.db2.gz NBSXLPUUYHKXBU-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027892047 799092863 /nfs/dbraw/zinc/09/28/63/799092863.db2.gz NBSXLPUUYHKXBU-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027892047 799092867 /nfs/dbraw/zinc/09/28/67/799092867.db2.gz NBSXLPUUYHKXBU-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027892047 799092874 /nfs/dbraw/zinc/09/28/74/799092874.db2.gz NBSXLPUUYHKXBU-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027884659 799094138 /nfs/dbraw/zinc/09/41/38/799094138.db2.gz NXRCVDOACDIUAF-OLZOCXBDSA-N 2 1 294.399 -0.606 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027884659 799094143 /nfs/dbraw/zinc/09/41/43/799094143.db2.gz NXRCVDOACDIUAF-OLZOCXBDSA-N 2 1 294.399 -0.606 20 0 CBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966076 799099618 /nfs/dbraw/zinc/09/96/18/799099618.db2.gz JWINMBVQVANNLV-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966076 799099622 /nfs/dbraw/zinc/09/96/22/799099622.db2.gz JWINMBVQVANNLV-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966076 799099631 /nfs/dbraw/zinc/09/96/31/799099631.db2.gz JWINMBVQVANNLV-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966076 799099638 /nfs/dbraw/zinc/09/96/38/799099638.db2.gz JWINMBVQVANNLV-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)CC[N@@H+]1C ZINC001028098921 799109032 /nfs/dbraw/zinc/10/90/32/799109032.db2.gz XWHVBNIWLARVML-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)CC[N@H+]1C ZINC001028098921 799109036 /nfs/dbraw/zinc/10/90/36/799109036.db2.gz XWHVBNIWLARVML-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)CC[NH+]1C ZINC001028098921 799109039 /nfs/dbraw/zinc/10/90/39/799109039.db2.gz XWHVBNIWLARVML-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)CC[NH+]1C ZINC001028098921 799109041 /nfs/dbraw/zinc/10/90/41/799109041.db2.gz XWHVBNIWLARVML-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028117667 799110698 /nfs/dbraw/zinc/11/06/98/799110698.db2.gz ROFBEJDOEQFKRJ-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028117667 799110700 /nfs/dbraw/zinc/11/07/00/799110700.db2.gz ROFBEJDOEQFKRJ-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028263801 799119613 /nfs/dbraw/zinc/11/96/13/799119613.db2.gz XFLVKTXYMFPVOS-GFCCVEGCSA-N 2 1 294.399 -0.591 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028263801 799119616 /nfs/dbraw/zinc/11/96/16/799119616.db2.gz XFLVKTXYMFPVOS-GFCCVEGCSA-N 2 1 294.399 -0.591 20 0 CBADMP CN(C)C(=O)CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028313937 799121767 /nfs/dbraw/zinc/12/17/67/799121767.db2.gz DERWWKQLVPSGRG-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028313937 799121768 /nfs/dbraw/zinc/12/17/68/799121768.db2.gz DERWWKQLVPSGRG-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028313937 799121770 /nfs/dbraw/zinc/12/17/70/799121770.db2.gz DERWWKQLVPSGRG-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028313937 799121771 /nfs/dbraw/zinc/12/17/71/799121771.db2.gz DERWWKQLVPSGRG-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028313937 799121773 /nfs/dbraw/zinc/12/17/73/799121773.db2.gz DERWWKQLVPSGRG-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCO)C1 ZINC001028327714 799123188 /nfs/dbraw/zinc/12/31/88/799123188.db2.gz BQFLBIDQVDGQJQ-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCO)C1 ZINC001028327714 799123192 /nfs/dbraw/zinc/12/31/92/799123192.db2.gz BQFLBIDQVDGQJQ-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCO)C1 ZINC001028327714 799123194 /nfs/dbraw/zinc/12/31/94/799123194.db2.gz BQFLBIDQVDGQJQ-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCO)C1 ZINC001028327714 799123198 /nfs/dbraw/zinc/12/31/98/799123198.db2.gz BQFLBIDQVDGQJQ-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447098 799137628 /nfs/dbraw/zinc/13/76/28/799137628.db2.gz LUZANUXQKWEVOE-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001028447098 799137632 /nfs/dbraw/zinc/13/76/32/799137632.db2.gz LUZANUXQKWEVOE-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001028447098 799137634 /nfs/dbraw/zinc/13/76/34/799137634.db2.gz LUZANUXQKWEVOE-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001028446448 799138799 /nfs/dbraw/zinc/13/87/99/799138799.db2.gz GIGBNCPNXLLECO-WDEREUQCSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001028446448 799138804 /nfs/dbraw/zinc/13/88/04/799138804.db2.gz GIGBNCPNXLLECO-WDEREUQCSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028446448 799138807 /nfs/dbraw/zinc/13/88/07/799138807.db2.gz GIGBNCPNXLLECO-WDEREUQCSA-N 2 1 268.361 -0.996 20 0 CBADMP COCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461187 799139879 /nfs/dbraw/zinc/13/98/79/799139879.db2.gz LYJDPIHNGSWCCT-CHWSQXEVSA-N 2 1 285.388 -0.599 20 0 CBADMP COCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461187 799139884 /nfs/dbraw/zinc/13/98/84/799139884.db2.gz LYJDPIHNGSWCCT-CHWSQXEVSA-N 2 1 285.388 -0.599 20 0 CBADMP COCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028461187 799139905 /nfs/dbraw/zinc/13/99/05/799139905.db2.gz LYJDPIHNGSWCCT-CHWSQXEVSA-N 2 1 285.388 -0.599 20 0 CBADMP COCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028461187 799139910 /nfs/dbraw/zinc/13/99/10/799139910.db2.gz LYJDPIHNGSWCCT-CHWSQXEVSA-N 2 1 285.388 -0.599 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001028537740 799150015 /nfs/dbraw/zinc/15/00/15/799150015.db2.gz REHWVRJKKZHPHQ-OLZOCXBDSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001028537740 799150017 /nfs/dbraw/zinc/15/00/17/799150017.db2.gz REHWVRJKKZHPHQ-OLZOCXBDSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028537740 799150020 /nfs/dbraw/zinc/15/00/20/799150020.db2.gz REHWVRJKKZHPHQ-OLZOCXBDSA-N 2 1 296.415 -0.217 20 0 CBADMP NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028546329 799151996 /nfs/dbraw/zinc/15/19/96/799151996.db2.gz ZEBNVPNOTCZRTI-DGCLKSJQSA-N 2 1 294.399 -0.748 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCO)C1 ZINC001028637528 799156326 /nfs/dbraw/zinc/15/63/26/799156326.db2.gz XTXPOSDBPYMIFF-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001028637528 799156329 /nfs/dbraw/zinc/15/63/29/799156329.db2.gz XTXPOSDBPYMIFF-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001028637528 799156332 /nfs/dbraw/zinc/15/63/32/799156332.db2.gz XTXPOSDBPYMIFF-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP COCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629216 799156512 /nfs/dbraw/zinc/15/65/12/799156512.db2.gz HKYFABXYTBUAJD-HZSPNIEDSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629216 799156515 /nfs/dbraw/zinc/15/65/15/799156515.db2.gz HKYFABXYTBUAJD-HZSPNIEDSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629216 799156518 /nfs/dbraw/zinc/15/65/18/799156518.db2.gz HKYFABXYTBUAJD-HZSPNIEDSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629216 799156522 /nfs/dbraw/zinc/15/65/22/799156522.db2.gz HKYFABXYTBUAJD-HZSPNIEDSA-N 2 1 299.415 -0.210 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001028781290 799170237 /nfs/dbraw/zinc/17/02/37/799170237.db2.gz TXYDOHDDKUFAII-LBPRGKRZSA-N 2 1 269.389 -0.241 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028933738 799182017 /nfs/dbraw/zinc/18/20/17/799182017.db2.gz SRJPAGBBZMPPAC-STQMWFEESA-N 2 1 281.400 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001028987207 799184303 /nfs/dbraw/zinc/18/43/03/799184303.db2.gz WBWCSMLXDWRYKN-NWDGAFQWSA-N 2 1 255.362 -0.632 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001028987207 799184305 /nfs/dbraw/zinc/18/43/05/799184305.db2.gz WBWCSMLXDWRYKN-NWDGAFQWSA-N 2 1 255.362 -0.632 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001028987207 799184308 /nfs/dbraw/zinc/18/43/08/799184308.db2.gz WBWCSMLXDWRYKN-NWDGAFQWSA-N 2 1 255.362 -0.632 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CCOC)C2)C1 ZINC001028996845 799185870 /nfs/dbraw/zinc/18/58/70/799185870.db2.gz KHBQFYVRKPLZTN-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CCOC)C2)C1 ZINC001028996845 799185875 /nfs/dbraw/zinc/18/58/75/799185875.db2.gz KHBQFYVRKPLZTN-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC001028996845 799185878 /nfs/dbraw/zinc/18/58/78/799185878.db2.gz KHBQFYVRKPLZTN-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC001028996845 799185882 /nfs/dbraw/zinc/18/58/82/799185882.db2.gz KHBQFYVRKPLZTN-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001029004200 799186275 /nfs/dbraw/zinc/18/62/75/799186275.db2.gz UTGRDBIPKMZQBV-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001029004200 799186276 /nfs/dbraw/zinc/18/62/76/799186276.db2.gz UTGRDBIPKMZQBV-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001029004200 799186278 /nfs/dbraw/zinc/18/62/78/799186278.db2.gz UTGRDBIPKMZQBV-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001029240440 799191242 /nfs/dbraw/zinc/19/12/42/799191242.db2.gz QJXOINWUJIDXHR-XQQFMLRXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001029240440 799191246 /nfs/dbraw/zinc/19/12/46/799191246.db2.gz QJXOINWUJIDXHR-XQQFMLRXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029240440 799191250 /nfs/dbraw/zinc/19/12/50/799191250.db2.gz QJXOINWUJIDXHR-XQQFMLRXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029240440 799191253 /nfs/dbraw/zinc/19/12/53/799191253.db2.gz QJXOINWUJIDXHR-XQQFMLRXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001030020086 799210942 /nfs/dbraw/zinc/21/09/42/799210942.db2.gz MPFQBBZGMMSYSE-GRYCIOLGSA-N 2 1 282.388 -0.465 20 0 CBADMP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001030020198 799211851 /nfs/dbraw/zinc/21/18/51/799211851.db2.gz XPBPAEOXZOHVGX-YNEHKIRRSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001030020535 799214007 /nfs/dbraw/zinc/21/40/07/799214007.db2.gz SCQDXOHSQFZIRF-AVGNSLFASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001030020534 799214228 /nfs/dbraw/zinc/21/42/28/799214228.db2.gz SCQDXOHSQFZIRF-AGIUHOORSA-N 2 1 296.415 -0.075 20 0 CBADMP CN1CCO[C@@H](C(=O)NC2C[NH+](CC[C@@H]3CCOC3)C2)C1 ZINC001030185105 799260693 /nfs/dbraw/zinc/26/06/93/799260693.db2.gz ZMHHMLCQTRKGOJ-TZMCWYRMSA-N 2 1 297.399 -0.456 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001031384823 799480784 /nfs/dbraw/zinc/48/07/84/799480784.db2.gz NDLAQBLQHKCXRJ-RYUDHWBXSA-N 2 1 267.373 -0.225 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCCF)C2)C1 ZINC001031595396 799516381 /nfs/dbraw/zinc/51/63/81/799516381.db2.gz WTVHGGBODYKNOS-LBPRGKRZSA-N 2 1 273.352 -0.275 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCCF)C2)C1 ZINC001031595396 799516386 /nfs/dbraw/zinc/51/63/86/799516386.db2.gz WTVHGGBODYKNOS-LBPRGKRZSA-N 2 1 273.352 -0.275 20 0 CBADMP COC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031596885 799516496 /nfs/dbraw/zinc/51/64/96/799516496.db2.gz RHOCZQHIUOXZKR-WCQYABFASA-N 2 1 285.388 -0.600 20 0 CBADMP COC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031596885 799516501 /nfs/dbraw/zinc/51/65/01/799516501.db2.gz RHOCZQHIUOXZKR-WCQYABFASA-N 2 1 285.388 -0.600 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCO)C2)C1 ZINC001031923175 799562913 /nfs/dbraw/zinc/56/29/13/799562913.db2.gz VKHKYCYEXBCGHI-ZDUSSCGKSA-N 2 1 285.388 -0.864 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031948742 799565821 /nfs/dbraw/zinc/56/58/21/799565821.db2.gz MZECDRAZFAPKPK-NSHDSACASA-N 2 1 296.415 -0.489 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031977422 799568215 /nfs/dbraw/zinc/56/82/15/799568215.db2.gz ZPIFJXNHWJORTJ-DGCLKSJQSA-N 2 1 269.389 -0.122 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031977079 799568786 /nfs/dbraw/zinc/56/87/86/799568786.db2.gz WDJASBVIALNGIQ-CMPLNLGQSA-N 2 1 255.362 -0.776 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)C1 ZINC001032183014 799590008 /nfs/dbraw/zinc/59/00/08/799590008.db2.gz XMBAWEVAXWHHKJ-QWHCGFSZSA-N 2 1 294.399 -0.735 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)C1 ZINC001032183014 799590011 /nfs/dbraw/zinc/59/00/11/799590011.db2.gz XMBAWEVAXWHHKJ-QWHCGFSZSA-N 2 1 294.399 -0.735 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186134 799590778 /nfs/dbraw/zinc/59/07/78/799590778.db2.gz JBVINZHONINSRU-JQWIXIFHSA-N 2 1 282.388 -0.879 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186134 799590781 /nfs/dbraw/zinc/59/07/81/799590781.db2.gz JBVINZHONINSRU-JQWIXIFHSA-N 2 1 282.388 -0.879 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CCn3cccn3)C2)C1 ZINC001032186739 799592633 /nfs/dbraw/zinc/59/26/33/799592633.db2.gz VLHBPJWKYCCMQR-AWEZNQCLSA-N 2 1 291.399 -0.117 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001032202310 799593838 /nfs/dbraw/zinc/59/38/38/799593838.db2.gz QMLLOILXXMKUAN-YPMHNXCESA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001032202310 799593842 /nfs/dbraw/zinc/59/38/42/799593842.db2.gz QMLLOILXXMKUAN-YPMHNXCESA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@H](C)O)C2)C1 ZINC001032202303 799594446 /nfs/dbraw/zinc/59/44/46/799594446.db2.gz QMLLOILXXMKUAN-AAEUAGOBSA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@H](C)O)C2)C1 ZINC001032202303 799594452 /nfs/dbraw/zinc/59/44/52/799594452.db2.gz QMLLOILXXMKUAN-AAEUAGOBSA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCO ZINC001032315284 799609974 /nfs/dbraw/zinc/60/99/74/799609974.db2.gz HBBWYVGZXVRWFZ-AVGNSLFASA-N 2 1 267.373 -0.252 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCO ZINC001032315284 799609976 /nfs/dbraw/zinc/60/99/76/799609976.db2.gz HBBWYVGZXVRWFZ-AVGNSLFASA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032315284 799609979 /nfs/dbraw/zinc/60/99/79/799609979.db2.gz HBBWYVGZXVRWFZ-AVGNSLFASA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032315284 799609983 /nfs/dbraw/zinc/60/99/83/799609983.db2.gz HBBWYVGZXVRWFZ-AVGNSLFASA-N 2 1 267.373 -0.252 20 0 CBADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO)[NH+](C)C ZINC001032460026 799631744 /nfs/dbraw/zinc/63/17/44/799631744.db2.gz XTPODPIVMMHCIX-AVGNSLFASA-N 2 1 269.389 -0.150 20 0 CBADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO)[NH+](C)C ZINC001032460026 799631747 /nfs/dbraw/zinc/63/17/47/799631747.db2.gz XTPODPIVMMHCIX-AVGNSLFASA-N 2 1 269.389 -0.150 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001032564830 799642620 /nfs/dbraw/zinc/64/26/20/799642620.db2.gz KLVAFXABEJLQEQ-ZDEQEGDKSA-N 2 1 267.373 -0.254 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001032564830 799642627 /nfs/dbraw/zinc/64/26/27/799642627.db2.gz KLVAFXABEJLQEQ-ZDEQEGDKSA-N 2 1 267.373 -0.254 20 0 CBADMP C[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001032564830 799642631 /nfs/dbraw/zinc/64/26/31/799642631.db2.gz KLVAFXABEJLQEQ-ZDEQEGDKSA-N 2 1 267.373 -0.254 20 0 CBADMP C[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001032564830 799642634 /nfs/dbraw/zinc/64/26/34/799642634.db2.gz KLVAFXABEJLQEQ-ZDEQEGDKSA-N 2 1 267.373 -0.254 20 0 CBADMP Cc1nc[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032754849 799663812 /nfs/dbraw/zinc/66/38/12/799663812.db2.gz SJLPREDMADGWSD-RYUDHWBXSA-N 2 1 278.356 -0.072 20 0 CBADMP Cc1nc[nH]c1CC(=O)N1C[C@@H]2C[C@H]1CN2CCCO ZINC001032754849 799663816 /nfs/dbraw/zinc/66/38/16/799663816.db2.gz SJLPREDMADGWSD-RYUDHWBXSA-N 2 1 278.356 -0.072 20 0 CBADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCCO)C1 ZINC001032982755 799699021 /nfs/dbraw/zinc/69/90/21/799699021.db2.gz XRLYIBKBNNQUMT-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001032982755 799699022 /nfs/dbraw/zinc/69/90/22/799699022.db2.gz XRLYIBKBNNQUMT-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCCO)C1 ZINC001032982755 799699026 /nfs/dbraw/zinc/69/90/26/799699026.db2.gz XRLYIBKBNNQUMT-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCCO)C1 ZINC001032982755 799699030 /nfs/dbraw/zinc/69/90/30/799699030.db2.gz XRLYIBKBNNQUMT-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032979740 799699968 /nfs/dbraw/zinc/69/99/68/799699968.db2.gz JGNQHMVKSOYBGZ-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032979740 799699970 /nfs/dbraw/zinc/69/99/70/799699970.db2.gz JGNQHMVKSOYBGZ-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032979740 799699975 /nfs/dbraw/zinc/69/99/75/799699975.db2.gz JGNQHMVKSOYBGZ-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032979740 799699979 /nfs/dbraw/zinc/69/99/79/799699979.db2.gz JGNQHMVKSOYBGZ-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033090887 799715353 /nfs/dbraw/zinc/71/53/53/799715353.db2.gz FRLYIOFPLZPXBP-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033090887 799715355 /nfs/dbraw/zinc/71/53/55/799715355.db2.gz FRLYIOFPLZPXBP-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033090887 799715362 /nfs/dbraw/zinc/71/53/62/799715362.db2.gz FRLYIOFPLZPXBP-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033090887 799715369 /nfs/dbraw/zinc/71/53/69/799715369.db2.gz FRLYIOFPLZPXBP-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033592821 799768523 /nfs/dbraw/zinc/76/85/23/799768523.db2.gz IABMNYGNICVLLJ-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593914 799770278 /nfs/dbraw/zinc/77/02/78/799770278.db2.gz OFBFMGVUPYYKGD-NWDGAFQWSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593914 799770280 /nfs/dbraw/zinc/77/02/80/799770280.db2.gz OFBFMGVUPYYKGD-NWDGAFQWSA-N 2 1 294.399 -0.511 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCOC)C2)C1 ZINC001033672361 799779895 /nfs/dbraw/zinc/77/98/95/799779895.db2.gz ORAOHOFUGXKBRT-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCOC)C2)C1 ZINC001033672361 799779897 /nfs/dbraw/zinc/77/98/97/799779897.db2.gz ORAOHOFUGXKBRT-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCOC)C2)C1 ZINC001033672361 799779899 /nfs/dbraw/zinc/77/98/99/799779899.db2.gz ORAOHOFUGXKBRT-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC001033672361 799779904 /nfs/dbraw/zinc/77/99/04/799779904.db2.gz ORAOHOFUGXKBRT-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001034040932 799806739 /nfs/dbraw/zinc/80/67/39/799806739.db2.gz ZZRPYVGNHBZLTL-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001034040932 799806747 /nfs/dbraw/zinc/80/67/47/799806747.db2.gz ZZRPYVGNHBZLTL-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001034040932 799806754 /nfs/dbraw/zinc/80/67/54/799806754.db2.gz ZZRPYVGNHBZLTL-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001034040932 799806760 /nfs/dbraw/zinc/80/67/60/799806760.db2.gz ZZRPYVGNHBZLTL-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CCO)C2)C1 ZINC001034531057 799846334 /nfs/dbraw/zinc/84/63/34/799846334.db2.gz CXEUPZPBPAYYFW-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CCO)C2)C1 ZINC001034531057 799846339 /nfs/dbraw/zinc/84/63/39/799846339.db2.gz CXEUPZPBPAYYFW-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](CCO)C2)C1 ZINC001034531057 799846343 /nfs/dbraw/zinc/84/63/43/799846343.db2.gz CXEUPZPBPAYYFW-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCO)C2)C1 ZINC001034531057 799846346 /nfs/dbraw/zinc/84/63/46/799846346.db2.gz CXEUPZPBPAYYFW-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001034793401 799856388 /nfs/dbraw/zinc/85/63/88/799856388.db2.gz ZMCCAIGTRRWRFN-FDYHWXHSSA-N 2 1 296.415 -0.171 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001035325494 799891449 /nfs/dbraw/zinc/89/14/49/799891449.db2.gz BDPGCHRDWHZFBB-QWHCGFSZSA-N 2 1 285.388 -0.458 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001035325494 799891459 /nfs/dbraw/zinc/89/14/59/799891459.db2.gz BDPGCHRDWHZFBB-QWHCGFSZSA-N 2 1 285.388 -0.458 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035668996 799958653 /nfs/dbraw/zinc/95/86/53/799958653.db2.gz NBMRNZPAYPRLEP-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036064053 799976444 /nfs/dbraw/zinc/97/64/44/799976444.db2.gz LJSZPKQVCSSBLB-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001036113523 799977169 /nfs/dbraw/zinc/97/71/69/799977169.db2.gz RKLXBANENNBESY-ZYHUDNBSSA-N 2 1 293.371 -0.497 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCO)CC[N@@H+]1C ZINC001038274147 800090496 /nfs/dbraw/zinc/09/04/96/800090496.db2.gz WVZDWUSWOVTOLF-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCO)CC[N@H+]1C ZINC001038274147 800090502 /nfs/dbraw/zinc/09/05/02/800090502.db2.gz WVZDWUSWOVTOLF-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCO)CC[NH+]1C ZINC001038274147 800090505 /nfs/dbraw/zinc/09/05/05/800090505.db2.gz WVZDWUSWOVTOLF-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCO)CC[NH+]1C ZINC001038274147 800090510 /nfs/dbraw/zinc/09/05/10/800090510.db2.gz WVZDWUSWOVTOLF-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCO)C2)C1 ZINC001041142114 801369322 /nfs/dbraw/zinc/36/93/22/801369322.db2.gz UCYQJTSHUDPRFW-DZGCQCFKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041142114 801369326 /nfs/dbraw/zinc/36/93/26/801369326.db2.gz UCYQJTSHUDPRFW-DZGCQCFKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041142114 801369329 /nfs/dbraw/zinc/36/93/29/801369329.db2.gz UCYQJTSHUDPRFW-DZGCQCFKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](CCO)C2)C1 ZINC001041142115 801369351 /nfs/dbraw/zinc/36/93/51/801369351.db2.gz UCYQJTSHUDPRFW-HIFRSBDPSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041142115 801369359 /nfs/dbraw/zinc/36/93/59/801369359.db2.gz UCYQJTSHUDPRFW-HIFRSBDPSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041142115 801369367 /nfs/dbraw/zinc/36/93/67/801369367.db2.gz UCYQJTSHUDPRFW-HIFRSBDPSA-N 2 1 281.400 -0.003 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1)[NH+](C)C ZINC001041691642 801413856 /nfs/dbraw/zinc/41/38/56/801413856.db2.gz FNBPWKGCHPOEPS-WFASDCNBSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@]3(CC[NH+](CC(N)=O)C3)C2)C1 ZINC001041829569 801422365 /nfs/dbraw/zinc/42/23/65/801422365.db2.gz YBIHLWYNQIPNMA-DOMZBBRYSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@]3(CC[N@H+](CC(N)=O)C3)C2)C1 ZINC001041829569 801422368 /nfs/dbraw/zinc/42/23/68/801422368.db2.gz YBIHLWYNQIPNMA-DOMZBBRYSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)C1 ZINC001041829569 801422374 /nfs/dbraw/zinc/42/23/74/801422374.db2.gz YBIHLWYNQIPNMA-DOMZBBRYSA-N 2 1 294.399 -0.652 20 0 CBADMP NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041835750 801422537 /nfs/dbraw/zinc/42/25/37/801422537.db2.gz WNQJCAWMWUKLHU-OAHLLOKOSA-N 2 1 294.399 -0.508 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001043881587 801599455 /nfs/dbraw/zinc/59/94/55/801599455.db2.gz MLVXXPBIJCMASO-WCQYABFASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001043881587 801599463 /nfs/dbraw/zinc/59/94/63/801599463.db2.gz MLVXXPBIJCMASO-WCQYABFASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044629687 801660206 /nfs/dbraw/zinc/66/02/06/801660206.db2.gz ONYPWUDOSUYZFF-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044629685 801661191 /nfs/dbraw/zinc/66/11/91/801661191.db2.gz ONYPWUDOSUYZFF-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001044683928 801661525 /nfs/dbraw/zinc/66/15/25/801661525.db2.gz GVBOUZWNMMSEHN-PWSUYJOCSA-N 2 1 293.371 -0.354 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001044683926 801661665 /nfs/dbraw/zinc/66/16/65/801661665.db2.gz GVBOUZWNMMSEHN-CMPLNLGQSA-N 2 1 293.371 -0.354 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)CC[N@@H+]1C ZINC001045445137 801697275 /nfs/dbraw/zinc/69/72/75/801697275.db2.gz VFJHCGTYZNZNFE-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)CC[N@H+]1C ZINC001045445137 801697279 /nfs/dbraw/zinc/69/72/79/801697279.db2.gz VFJHCGTYZNZNFE-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046327130 801752010 /nfs/dbraw/zinc/75/20/10/801752010.db2.gz AWPCKSMMPWFSIG-JMSVASOKSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046327130 801752017 /nfs/dbraw/zinc/75/20/17/801752017.db2.gz AWPCKSMMPWFSIG-JMSVASOKSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046327130 801752024 /nfs/dbraw/zinc/75/20/24/801752024.db2.gz AWPCKSMMPWFSIG-JMSVASOKSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046327130 801752031 /nfs/dbraw/zinc/75/20/31/801752031.db2.gz AWPCKSMMPWFSIG-JMSVASOKSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)CC1 ZINC001046589001 801778024 /nfs/dbraw/zinc/77/80/24/801778024.db2.gz WTIQGCXQOHBNGY-AWEZNQCLSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)CC1 ZINC001046596907 801779122 /nfs/dbraw/zinc/77/91/22/801779122.db2.gz DCCYJJLRTHWWNC-CQSZACIVSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046596907 801779127 /nfs/dbraw/zinc/77/91/27/801779127.db2.gz DCCYJJLRTHWWNC-CQSZACIVSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)CC1 ZINC001046596904 801779150 /nfs/dbraw/zinc/77/91/50/801779150.db2.gz DCCYJJLRTHWWNC-AWEZNQCLSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046596904 801779152 /nfs/dbraw/zinc/77/91/52/801779152.db2.gz DCCYJJLRTHWWNC-AWEZNQCLSA-N 2 1 282.388 -0.606 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046595927 801779860 /nfs/dbraw/zinc/77/98/60/801779860.db2.gz QABVCZZMEBFZOT-HNNXBMFYSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046595927 801779866 /nfs/dbraw/zinc/77/98/66/801779866.db2.gz QABVCZZMEBFZOT-HNNXBMFYSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046831059 801794678 /nfs/dbraw/zinc/79/46/78/801794678.db2.gz FDKUUCQMFBEXRK-RISCZKNCSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046831059 801794686 /nfs/dbraw/zinc/79/46/86/801794686.db2.gz FDKUUCQMFBEXRK-RISCZKNCSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046831059 801794690 /nfs/dbraw/zinc/79/46/90/801794690.db2.gz FDKUUCQMFBEXRK-RISCZKNCSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046831059 801794696 /nfs/dbraw/zinc/79/46/96/801794696.db2.gz FDKUUCQMFBEXRK-RISCZKNCSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046846314 801798777 /nfs/dbraw/zinc/79/87/77/801798777.db2.gz SRLOPDSOXSGBIJ-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046846314 801798784 /nfs/dbraw/zinc/79/87/84/801798784.db2.gz SRLOPDSOXSGBIJ-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCCO)C2)C1 ZINC001046846314 801798786 /nfs/dbraw/zinc/79/87/86/801798786.db2.gz SRLOPDSOXSGBIJ-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCCO)C2)C1 ZINC001046846314 801798793 /nfs/dbraw/zinc/79/87/93/801798793.db2.gz SRLOPDSOXSGBIJ-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047484344 801882669 /nfs/dbraw/zinc/88/26/69/801882669.db2.gz UPYRQXXFWWHMOE-MQYQWHSLSA-N 2 1 299.415 -0.381 20 0 CBADMP CO[C@H](C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001047484344 801882672 /nfs/dbraw/zinc/88/26/72/801882672.db2.gz UPYRQXXFWWHMOE-MQYQWHSLSA-N 2 1 299.415 -0.381 20 0 CBADMP CO[C@H](C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047484344 801882677 /nfs/dbraw/zinc/88/26/77/801882677.db2.gz UPYRQXXFWWHMOE-MQYQWHSLSA-N 2 1 299.415 -0.381 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047486680 801883002 /nfs/dbraw/zinc/88/30/02/801883002.db2.gz NMOGJPKVCPCYKU-MQYQWHSLSA-N 2 1 299.415 -0.381 20 0 CBADMP COC[C@@H](C)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001047486680 801883011 /nfs/dbraw/zinc/88/30/11/801883011.db2.gz NMOGJPKVCPCYKU-MQYQWHSLSA-N 2 1 299.415 -0.381 20 0 CBADMP COC[C@@H](C)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047486680 801883021 /nfs/dbraw/zinc/88/30/21/801883021.db2.gz NMOGJPKVCPCYKU-MQYQWHSLSA-N 2 1 299.415 -0.381 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001047527309 801893619 /nfs/dbraw/zinc/89/36/19/801893619.db2.gz BWWCHGZBHPZSGM-IHRRRGAJSA-N 2 1 299.415 -0.786 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2C[N@H+](CCCO)C[C@@H]2O)C1 ZINC001047527309 801893623 /nfs/dbraw/zinc/89/36/23/801893623.db2.gz BWWCHGZBHPZSGM-IHRRRGAJSA-N 2 1 299.415 -0.786 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001047527309 801893626 /nfs/dbraw/zinc/89/36/26/801893626.db2.gz BWWCHGZBHPZSGM-IHRRRGAJSA-N 2 1 299.415 -0.786 20 0 CBADMP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001047528364 801896004 /nfs/dbraw/zinc/89/60/04/801896004.db2.gz PCQLJVNOUPSSDR-RDBSUJKOSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047545031 801899220 /nfs/dbraw/zinc/89/92/20/801899220.db2.gz NRBOGPUFBIBHPW-QWRGUYRKSA-N 2 1 252.318 -0.524 20 0 CBADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047627679 801913200 /nfs/dbraw/zinc/91/32/00/801913200.db2.gz TZLLPRRCZPHQEN-AGIUHOORSA-N 2 1 287.379 -0.199 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CCCF)C[C@@H]1O ZINC001047627679 801913204 /nfs/dbraw/zinc/91/32/04/801913204.db2.gz TZLLPRRCZPHQEN-AGIUHOORSA-N 2 1 287.379 -0.199 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CCCF)C[C@@H]1O ZINC001047627679 801913207 /nfs/dbraw/zinc/91/32/07/801913207.db2.gz TZLLPRRCZPHQEN-AGIUHOORSA-N 2 1 287.379 -0.199 20 0 CBADMP CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047629155 801914107 /nfs/dbraw/zinc/91/41/07/801914107.db2.gz RZFSNMCABFFTGS-AGIUHOORSA-N 2 1 269.389 -0.150 20 0 CBADMP CC(C)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001047629155 801914110 /nfs/dbraw/zinc/91/41/10/801914110.db2.gz RZFSNMCABFFTGS-AGIUHOORSA-N 2 1 269.389 -0.150 20 0 CBADMP CC(C)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047629155 801914113 /nfs/dbraw/zinc/91/41/13/801914113.db2.gz RZFSNMCABFFTGS-AGIUHOORSA-N 2 1 269.389 -0.150 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723775 801955594 /nfs/dbraw/zinc/95/55/94/801955594.db2.gz PFTFTUARYJIHPM-FVCCEPFGSA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048723775 801955597 /nfs/dbraw/zinc/95/55/97/801955597.db2.gz PFTFTUARYJIHPM-FVCCEPFGSA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048723775 801955600 /nfs/dbraw/zinc/95/56/00/801955600.db2.gz PFTFTUARYJIHPM-FVCCEPFGSA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723486 801956254 /nfs/dbraw/zinc/95/62/54/801956254.db2.gz FZPVOKDXDGRLPC-MQYQWHSLSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048723486 801956259 /nfs/dbraw/zinc/95/62/59/801956259.db2.gz FZPVOKDXDGRLPC-MQYQWHSLSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048723486 801956262 /nfs/dbraw/zinc/95/62/62/801956262.db2.gz FZPVOKDXDGRLPC-MQYQWHSLSA-N 2 1 281.400 -0.148 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCCO)C[C@@H]3C2)C1 ZINC001048739385 801961017 /nfs/dbraw/zinc/96/10/17/801961017.db2.gz JRYWMQPDDNSLEP-HZSPNIEDSA-N 2 1 297.399 -0.910 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCCO)C[C@@H]3C2)C1 ZINC001048739385 801961020 /nfs/dbraw/zinc/96/10/20/801961020.db2.gz JRYWMQPDDNSLEP-HZSPNIEDSA-N 2 1 297.399 -0.910 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCCO)C[C@@H]3C2)C1 ZINC001048739385 801961026 /nfs/dbraw/zinc/96/10/26/801961026.db2.gz JRYWMQPDDNSLEP-HZSPNIEDSA-N 2 1 297.399 -0.910 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)C1 ZINC001048739385 801961032 /nfs/dbraw/zinc/96/10/32/801961032.db2.gz JRYWMQPDDNSLEP-HZSPNIEDSA-N 2 1 297.399 -0.910 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)CC[N@H+]1C ZINC001048828410 801973662 /nfs/dbraw/zinc/97/36/62/801973662.db2.gz VMNZWSFNOZMZHD-YIYPIFLZSA-N 2 1 281.400 -0.291 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)CC[NH+]1C ZINC001048828410 801973668 /nfs/dbraw/zinc/97/36/68/801973668.db2.gz VMNZWSFNOZMZHD-YIYPIFLZSA-N 2 1 281.400 -0.291 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)CC[NH+]1C ZINC001048828410 801973673 /nfs/dbraw/zinc/97/36/73/801973673.db2.gz VMNZWSFNOZMZHD-YIYPIFLZSA-N 2 1 281.400 -0.291 20 0 CBADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)[NH+](C)C ZINC001048875846 801976316 /nfs/dbraw/zinc/97/63/16/801976316.db2.gz QEZLFHUSXUGWRV-MJBXVCDLSA-N 2 1 283.416 -0.045 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC001048939023 801982420 /nfs/dbraw/zinc/98/24/20/801982420.db2.gz ZVDFIQGAIVGXDR-MCIONIFRSA-N 2 1 292.383 -0.037 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC001048939023 801982425 /nfs/dbraw/zinc/98/24/25/801982425.db2.gz ZVDFIQGAIVGXDR-MCIONIFRSA-N 2 1 292.383 -0.037 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048939198 801982621 /nfs/dbraw/zinc/98/26/21/801982621.db2.gz KIAUMLSZWOBZMS-BETUJISGSA-N 2 1 278.356 -0.426 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048939198 801982629 /nfs/dbraw/zinc/98/26/29/801982629.db2.gz KIAUMLSZWOBZMS-BETUJISGSA-N 2 1 278.356 -0.426 20 0 CBADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)[NH+](C)C ZINC001049039447 801992633 /nfs/dbraw/zinc/99/26/33/801992633.db2.gz QEZLFHUSXUGWRV-HZSPNIEDSA-N 2 1 283.416 -0.045 20 0 CBADMP 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 801995392 /nfs/dbraw/zinc/99/53/92/801995392.db2.gz KJHJDMWNRKINCD-RVMXOQNASA-N 2 1 294.399 -0.940 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001049059962 801995396 /nfs/dbraw/zinc/99/53/96/801995396.db2.gz KJHJDMWNRKINCD-RVMXOQNASA-N 2 1 294.399 -0.940 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049059962 801995400 /nfs/dbraw/zinc/99/54/00/801995400.db2.gz KJHJDMWNRKINCD-RVMXOQNASA-N 2 1 294.399 -0.940 20 0 CBADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2C1)[NH+](C)C ZINC001049064683 801996193 /nfs/dbraw/zinc/99/61/93/801996193.db2.gz JOIBXZFEVWQBQZ-XQQFMLRXSA-N 2 1 296.415 -0.537 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049171001 802002935 /nfs/dbraw/zinc/00/29/35/802002935.db2.gz HQMWGHUBQJAURI-UPJWGTAASA-N 2 1 294.399 -0.796 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049171001 802002946 /nfs/dbraw/zinc/00/29/46/802002946.db2.gz HQMWGHUBQJAURI-UPJWGTAASA-N 2 1 294.399 -0.796 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049171001 802002951 /nfs/dbraw/zinc/00/29/51/802002951.db2.gz HQMWGHUBQJAURI-UPJWGTAASA-N 2 1 294.399 -0.796 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049171000 802003056 /nfs/dbraw/zinc/00/30/56/802003056.db2.gz HQMWGHUBQJAURI-RWMBFGLXSA-N 2 1 294.399 -0.796 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049171000 802003061 /nfs/dbraw/zinc/00/30/61/802003061.db2.gz HQMWGHUBQJAURI-RWMBFGLXSA-N 2 1 294.399 -0.796 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049171000 802003069 /nfs/dbraw/zinc/00/30/69/802003069.db2.gz HQMWGHUBQJAURI-RWMBFGLXSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049173988 802003738 /nfs/dbraw/zinc/00/37/38/802003738.db2.gz JYOIWSAGAVXCLC-MELADBBJSA-N 2 1 293.411 -0.147 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049215483 802007826 /nfs/dbraw/zinc/00/78/26/802007826.db2.gz WKZRKMUXWCRHJA-UPJWGTAASA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001050203251 802057899 /nfs/dbraw/zinc/05/78/99/802057899.db2.gz ZDSYKXMTUWLAIB-RWMBFGLXSA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001050203251 802057908 /nfs/dbraw/zinc/05/79/08/802057908.db2.gz ZDSYKXMTUWLAIB-RWMBFGLXSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001050203251 802057913 /nfs/dbraw/zinc/05/79/13/802057913.db2.gz ZDSYKXMTUWLAIB-RWMBFGLXSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001050203251 802057920 /nfs/dbraw/zinc/05/79/20/802057920.db2.gz ZDSYKXMTUWLAIB-RWMBFGLXSA-N 2 1 294.399 -0.654 20 0 CBADMP CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001051515527 802150699 /nfs/dbraw/zinc/15/06/99/802150699.db2.gz QNGPYZCHSLYNSA-OLZOCXBDSA-N 2 1 285.388 -0.458 20 0 CBADMP CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001051515527 802150705 /nfs/dbraw/zinc/15/07/05/802150705.db2.gz QNGPYZCHSLYNSA-OLZOCXBDSA-N 2 1 285.388 -0.458 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CCO1 ZINC001051786209 802166366 /nfs/dbraw/zinc/16/63/66/802166366.db2.gz RYRLKZOXRQGHNM-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CCO1 ZINC001051786209 802166370 /nfs/dbraw/zinc/16/63/70/802166370.db2.gz RYRLKZOXRQGHNM-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CCO1 ZINC001051786208 802167170 /nfs/dbraw/zinc/16/71/70/802167170.db2.gz RYRLKZOXRQGHNM-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CCO1 ZINC001051786208 802167173 /nfs/dbraw/zinc/16/71/73/802167173.db2.gz RYRLKZOXRQGHNM-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052255211 802188489 /nfs/dbraw/zinc/18/84/89/802188489.db2.gz XNTPUSAEEASOMV-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052255211 802188494 /nfs/dbraw/zinc/18/84/94/802188494.db2.gz XNTPUSAEEASOMV-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052255211 802188499 /nfs/dbraw/zinc/18/84/99/802188499.db2.gz XNTPUSAEEASOMV-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052255209 802188933 /nfs/dbraw/zinc/18/89/33/802188933.db2.gz XNTPUSAEEASOMV-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052255209 802188935 /nfs/dbraw/zinc/18/89/35/802188935.db2.gz XNTPUSAEEASOMV-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052255209 802188941 /nfs/dbraw/zinc/18/89/41/802188941.db2.gz XNTPUSAEEASOMV-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052276132 802190505 /nfs/dbraw/zinc/19/05/05/802190505.db2.gz XVAXXVPVJQTZBR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052276132 802190508 /nfs/dbraw/zinc/19/05/08/802190508.db2.gz XVAXXVPVJQTZBR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001052276132 802190512 /nfs/dbraw/zinc/19/05/12/802190512.db2.gz XVAXXVPVJQTZBR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001052276132 802190516 /nfs/dbraw/zinc/19/05/16/802190516.db2.gz XVAXXVPVJQTZBR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052498401 802202104 /nfs/dbraw/zinc/20/21/04/802202104.db2.gz HICXXGXHEFVCIF-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052498401 802202109 /nfs/dbraw/zinc/20/21/09/802202109.db2.gz HICXXGXHEFVCIF-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052498401 802202113 /nfs/dbraw/zinc/20/21/13/802202113.db2.gz HICXXGXHEFVCIF-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001054907588 802379465 /nfs/dbraw/zinc/37/94/65/802379465.db2.gz YQHVAPZXESLNHT-ZYHUDNBSSA-N 2 1 266.345 -0.380 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001118044088 812465258 /nfs/dbraw/zinc/46/52/58/812465258.db2.gz AQDUNCYRAYESGN-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](CN1CC[NH2+]CC[NH2+]CC1)CS(C)(=O)=O ZINC001119682621 812866053 /nfs/dbraw/zinc/86/60/53/812866053.db2.gz OXOGOOZVSFNLAL-NSHDSACASA-N 2 1 263.407 -0.838 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001121936644 813092589 /nfs/dbraw/zinc/09/25/89/813092589.db2.gz FLDNYYRFIHMWJS-WUHRBBMRSA-N 2 1 264.373 -0.948 20 0 CBADMP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001122450054 813166617 /nfs/dbraw/zinc/16/66/17/813166617.db2.gz ZJENEJCEQIUVGS-UHTWSYAYSA-N 2 1 266.389 -0.216 20 0 CBADMP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCN1C ZINC001122450049 813167432 /nfs/dbraw/zinc/16/74/32/813167432.db2.gz ZJENEJCEQIUVGS-CYZMBNFOSA-N 2 1 266.389 -0.216 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001129328233 813837368 /nfs/dbraw/zinc/83/73/68/813837368.db2.gz NKMZSZAVRIFZBF-RYUDHWBXSA-N 2 1 284.404 -0.456 20 0 CBADMP CCCn1ncnc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294397 814237571 /nfs/dbraw/zinc/23/75/71/814237571.db2.gz HJZWPADVXULJSL-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP CCCCn1nnnc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291504 814238034 /nfs/dbraw/zinc/23/80/34/814238034.db2.gz SJUBWLOEPRMVIZ-UHFFFAOYSA-N 2 1 297.407 -0.369 20 0 CBADMP CC(C)[C@H](C(=O)NCC[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001133415557 814250495 /nfs/dbraw/zinc/25/04/95/814250495.db2.gz DDLXQYXCBCYJTQ-GFCCVEGCSA-N 2 1 282.392 -0.393 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1CN(C)C1 ZINC001142605231 814724109 /nfs/dbraw/zinc/72/41/09/814724109.db2.gz QCIWAPSYPBVWDS-UHFFFAOYSA-N 2 1 255.366 -0.388 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148360071 814940251 /nfs/dbraw/zinc/94/02/51/814940251.db2.gz MZJSPGOGATVTAS-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)COC ZINC001148571093 814950891 /nfs/dbraw/zinc/95/08/91/814950891.db2.gz VXBRIRDJEGTFLM-GFCCVEGCSA-N 2 1 275.393 -0.569 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001148578959 814951567 /nfs/dbraw/zinc/95/15/67/814951567.db2.gz XWWQXGWHZUANLL-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](CC)C(N)=O ZINC001148642889 814954328 /nfs/dbraw/zinc/95/43/28/814954328.db2.gz PLLYVPZACKGVNZ-JTQLQIEISA-N 2 1 258.366 -0.702 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001148642890 814954645 /nfs/dbraw/zinc/95/46/45/814954645.db2.gz PLLYVPZACKGVNZ-SNVBAGLBSA-N 2 1 258.366 -0.702 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001148643427 814954682 /nfs/dbraw/zinc/95/46/82/814954682.db2.gz ZZNBZEHQEVNUGM-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001148643186 814954853 /nfs/dbraw/zinc/95/48/53/814954853.db2.gz UDIFWZBBTLITCB-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001148638636 814955014 /nfs/dbraw/zinc/95/50/14/814955014.db2.gz KXDROSKEIITHEM-UHFFFAOYSA-N 2 1 296.419 -0.057 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001148655006 814955899 /nfs/dbraw/zinc/95/58/99/814955899.db2.gz FFXNAWQKFMSUOH-CYBMUJFWSA-N 2 1 297.403 -0.708 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001148655625 814956359 /nfs/dbraw/zinc/95/63/59/814956359.db2.gz QCRJHVSAVLLVPP-UHFFFAOYSA-N 2 1 298.387 -0.817 20 0 CBADMP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001148657262 814956543 /nfs/dbraw/zinc/95/65/43/814956543.db2.gz QXSVZOHCEDWLNQ-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001148657262 814956548 /nfs/dbraw/zinc/95/65/48/814956548.db2.gz QXSVZOHCEDWLNQ-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001148657262 814956551 /nfs/dbraw/zinc/95/65/51/814956551.db2.gz QXSVZOHCEDWLNQ-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001148657262 814956555 /nfs/dbraw/zinc/95/65/55/814956555.db2.gz QXSVZOHCEDWLNQ-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@@H](C)C(N)=O)C2 ZINC001148838628 814958520 /nfs/dbraw/zinc/95/85/20/814958520.db2.gz CSZIQMOLBTUWEB-LBPRGKRZSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(N)=O)C2 ZINC001148838628 814958523 /nfs/dbraw/zinc/95/85/23/814958523.db2.gz CSZIQMOLBTUWEB-LBPRGKRZSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(N)=O)C2 ZINC001148838628 814958525 /nfs/dbraw/zinc/95/85/25/814958525.db2.gz CSZIQMOLBTUWEB-LBPRGKRZSA-N 2 1 296.415 -0.265 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001321745798 803809669 /nfs/dbraw/zinc/80/96/69/803809669.db2.gz AVUYSZNODOTFPS-BDAKNGLRSA-N 2 1 267.333 -0.840 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]CCF)C1 ZINC001321750600 803810527 /nfs/dbraw/zinc/81/05/27/803810527.db2.gz PODUBFZVQDXYCQ-MNOVXSKESA-N 2 1 261.341 -0.229 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]CCF)C1 ZINC001321750600 803810536 /nfs/dbraw/zinc/81/05/36/803810536.db2.gz PODUBFZVQDXYCQ-MNOVXSKESA-N 2 1 261.341 -0.229 20 0 CBADMP COCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001321811429 803819499 /nfs/dbraw/zinc/81/94/99/803819499.db2.gz FJNGNMYZORNVRK-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP COCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001321811429 803819508 /nfs/dbraw/zinc/81/95/08/803819508.db2.gz FJNGNMYZORNVRK-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP C[C@@H](C[NH2+]CCn1cccn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001321811805 803819650 /nfs/dbraw/zinc/81/96/50/803819650.db2.gz KTFZKTOJQRPIIH-QWHCGFSZSA-N 2 1 295.387 -0.692 20 0 CBADMP C[C@@H](C[NH2+]CCn1cccn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001321811805 803819659 /nfs/dbraw/zinc/81/96/59/803819659.db2.gz KTFZKTOJQRPIIH-QWHCGFSZSA-N 2 1 295.387 -0.692 20 0 CBADMP CN(CCC[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001322442859 803896735 /nfs/dbraw/zinc/89/67/35/803896735.db2.gz PFBPDSSJKJKIAV-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001322830921 803944724 /nfs/dbraw/zinc/94/47/24/803944724.db2.gz FOTLAKFJLSDEID-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001322830924 803945434 /nfs/dbraw/zinc/94/54/34/803945434.db2.gz FOTLAKFJLSDEID-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[NH+](CCCC[N@H+](C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC001323168365 803983102 /nfs/dbraw/zinc/98/31/02/803983102.db2.gz HHNWFUOFWNNGBP-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP Cc1nc[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]1C[C@H](C)O ZINC001323340060 804011074 /nfs/dbraw/zinc/01/10/74/804011074.db2.gz LAKCYKSMDHMLQB-ONGXEEELSA-N 2 1 266.345 -0.168 20 0 CBADMP Cc1nc[nH]c1CC(=O)NC[C@@H]1CCN1C[C@H](C)O ZINC001323340060 804011084 /nfs/dbraw/zinc/01/10/84/804011084.db2.gz LAKCYKSMDHMLQB-ONGXEEELSA-N 2 1 266.345 -0.168 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001323407159 804023922 /nfs/dbraw/zinc/02/39/22/804023922.db2.gz ULSGHZVMHRRXKN-ZJUUUORDSA-N 2 1 268.361 -0.807 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC001325386475 804282683 /nfs/dbraw/zinc/28/26/83/804282683.db2.gz QEVVZLUXULDMJZ-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP Cc1ccc(NCCCNC(=O)C(=O)NC[C@H](C)[NH3+])[nH+]c1 ZINC001325399185 804283738 /nfs/dbraw/zinc/28/37/38/804283738.db2.gz JZSQCNCDQLZARM-NSHDSACASA-N 2 1 293.371 -0.228 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H]1C[NH+](CCO)CCCO1)C1CCC1 ZINC001149854166 815011510 /nfs/dbraw/zinc/01/15/10/815011510.db2.gz GYFVFPYGVPMFFO-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](CC(=O)NC[C@@H]1C[N@H+](CCO)CCCO1)C1CCC1 ZINC001149854166 815011516 /nfs/dbraw/zinc/01/15/16/815011516.db2.gz GYFVFPYGVPMFFO-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](CC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1)C1CCC1 ZINC001149854166 815011525 /nfs/dbraw/zinc/01/15/25/815011525.db2.gz GYFVFPYGVPMFFO-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCO)CCCO1 ZINC001150547553 815035784 /nfs/dbraw/zinc/03/57/84/815035784.db2.gz VUNVNPTYXVZWFY-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001150547553 815035790 /nfs/dbraw/zinc/03/57/90/815035790.db2.gz VUNVNPTYXVZWFY-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150547553 815035796 /nfs/dbraw/zinc/03/57/96/815035796.db2.gz VUNVNPTYXVZWFY-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[NH+](CCO)CCCO2)C1 ZINC001150598350 815037085 /nfs/dbraw/zinc/03/70/85/815037085.db2.gz ZTHDVMBIZMLJOB-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2C[N@H+](CCO)CCCO2)C1 ZINC001150598350 815037091 /nfs/dbraw/zinc/03/70/91/815037091.db2.gz ZTHDVMBIZMLJOB-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001150598350 815037097 /nfs/dbraw/zinc/03/70/97/815037097.db2.gz ZTHDVMBIZMLJOB-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150723854 815042615 /nfs/dbraw/zinc/04/26/15/815042615.db2.gz MIEHWTKBXPWRNY-ZDUSSCGKSA-N 2 1 296.371 -0.609 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001150723854 815042608 /nfs/dbraw/zinc/04/26/08/815042608.db2.gz MIEHWTKBXPWRNY-ZDUSSCGKSA-N 2 1 296.371 -0.609 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001151049187 815051553 /nfs/dbraw/zinc/05/15/53/815051553.db2.gz JLKSJXBIGFMFKW-LBPRGKRZSA-N 2 1 265.361 -0.422 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCCCC2)C1 ZINC001151043592 815051741 /nfs/dbraw/zinc/05/17/41/815051741.db2.gz GOXZMIQGDWNEGX-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1=O ZINC001151049176 815052025 /nfs/dbraw/zinc/05/20/25/815052025.db2.gz JIBBKYLHAWKOSR-CYBMUJFWSA-N 2 1 292.383 -0.457 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151066154 815056789 /nfs/dbraw/zinc/05/67/89/815056789.db2.gz RBQQVDHDBHKDIP-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CCc1nnc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1C ZINC001151048723 815053080 /nfs/dbraw/zinc/05/30/80/815053080.db2.gz DRLCZZORNJUBIE-NSHDSACASA-N 2 1 294.403 -0.465 20 0 CBADMP CCc1nnc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1C ZINC001151048723 815053088 /nfs/dbraw/zinc/05/30/88/815053088.db2.gz DRLCZZORNJUBIE-NSHDSACASA-N 2 1 294.403 -0.465 20 0 CBADMP CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151064387 815053903 /nfs/dbraw/zinc/05/39/03/815053903.db2.gz AZDJQKCOLMBPOT-LLVKDONJSA-N 2 1 295.391 -0.759 20 0 CBADMP CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151064387 815053912 /nfs/dbraw/zinc/05/39/12/815053912.db2.gz AZDJQKCOLMBPOT-LLVKDONJSA-N 2 1 295.391 -0.759 20 0 CBADMP CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158363 805174362 /nfs/dbraw/zinc/17/43/62/805174362.db2.gz HDOFIDWBNWIVBC-UPJWGTAASA-N 2 1 292.387 -0.266 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC001151056993 815055426 /nfs/dbraw/zinc/05/54/26/815055426.db2.gz PHMVPFRGZUKILJ-VHSXEESVSA-N 2 1 297.321 -0.043 20 0 CBADMP CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001151049687 815055765 /nfs/dbraw/zinc/05/57/65/815055765.db2.gz WBYDZZNODGABAN-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001151121502 815063431 /nfs/dbraw/zinc/06/34/31/815063431.db2.gz GYFAWVADJYRZNT-SNVBAGLBSA-N 2 1 281.360 -0.626 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001151072940 815057528 /nfs/dbraw/zinc/05/75/28/815057528.db2.gz ATSXJPXGJKEMTE-WDEREUQCSA-N 2 1 282.388 -0.689 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001151065403 815057676 /nfs/dbraw/zinc/05/76/76/815057676.db2.gz JBMFWJLLHYOCRR-JTQLQIEISA-N 2 1 266.349 -0.729 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001151065403 815057685 /nfs/dbraw/zinc/05/76/85/815057685.db2.gz JBMFWJLLHYOCRR-JTQLQIEISA-N 2 1 266.349 -0.729 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151066978 815057898 /nfs/dbraw/zinc/05/78/98/815057898.db2.gz ZQEPMEGNYCHMHR-LBPRGKRZSA-N 2 1 284.404 -0.584 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001151066576 815057933 /nfs/dbraw/zinc/05/79/33/815057933.db2.gz WMYJSNOGIPPRLA-LBPRGKRZSA-N 2 1 282.388 -0.830 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001151073459 815059125 /nfs/dbraw/zinc/05/91/25/815059125.db2.gz LPLDORUUFRXPHB-NWDGAFQWSA-N 2 1 298.431 -0.053 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001151115565 815062144 /nfs/dbraw/zinc/06/21/44/815062144.db2.gz YDUOAOAPOSBNJK-UHFFFAOYSA-N 2 1 290.371 -0.126 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001151147602 815063478 /nfs/dbraw/zinc/06/34/78/815063478.db2.gz RYKSQIJJHSRVEV-SNVBAGLBSA-N 2 1 293.371 -0.436 20 0 CBADMP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147036 815063917 /nfs/dbraw/zinc/06/39/17/815063917.db2.gz FBBKBWCVNIBLSS-LLVKDONJSA-N 2 1 295.387 -0.188 20 0 CBADMP COC[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151122850 815063977 /nfs/dbraw/zinc/06/39/77/815063977.db2.gz VWNSNHLKPAPFGL-SNVBAGLBSA-N 2 1 254.334 -0.068 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CCn1cccn1 ZINC001151122580 815064194 /nfs/dbraw/zinc/06/41/94/815064194.db2.gz UQJSKUHXDBQOPY-UHFFFAOYSA-N 2 1 276.344 -0.206 20 0 CBADMP C[N@H+](CC(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2)C1CCC1 ZINC001072816483 805338601 /nfs/dbraw/zinc/33/86/01/805338601.db2.gz YEYAFFLUWOYGSF-UHFFFAOYSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@@H+](CC(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2)C1CCC1 ZINC001072816483 805338615 /nfs/dbraw/zinc/33/86/15/805338615.db2.gz YEYAFFLUWOYGSF-UHFFFAOYSA-N 2 1 294.399 -0.510 20 0 CBADMP C[NH+](CC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2)C1CCC1 ZINC001072816483 805338619 /nfs/dbraw/zinc/33/86/19/805338619.db2.gz YEYAFFLUWOYGSF-UHFFFAOYSA-N 2 1 294.399 -0.510 20 0 CBADMP C[NH+](CC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2)C1CCC1 ZINC001072816483 805338624 /nfs/dbraw/zinc/33/86/24/805338624.db2.gz YEYAFFLUWOYGSF-UHFFFAOYSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072859089 805339355 /nfs/dbraw/zinc/33/93/55/805339355.db2.gz VTYFJNTUEKXVJN-GFCCVEGCSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072859089 805339359 /nfs/dbraw/zinc/33/93/59/805339359.db2.gz VTYFJNTUEKXVJN-GFCCVEGCSA-N 2 1 294.399 -0.510 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001072859089 805339364 /nfs/dbraw/zinc/33/93/64/805339364.db2.gz VTYFJNTUEKXVJN-GFCCVEGCSA-N 2 1 294.399 -0.510 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001072859089 805339368 /nfs/dbraw/zinc/33/93/68/805339368.db2.gz VTYFJNTUEKXVJN-GFCCVEGCSA-N 2 1 294.399 -0.510 20 0 CBADMP CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2)[NH+](C)C ZINC001072849974 805340655 /nfs/dbraw/zinc/34/06/55/805340655.db2.gz PEFXBMRWNGPXAJ-LLVKDONJSA-N 2 1 282.388 -0.654 20 0 CBADMP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2)[NH+](C)C ZINC001072849974 805340660 /nfs/dbraw/zinc/34/06/60/805340660.db2.gz PEFXBMRWNGPXAJ-LLVKDONJSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072981418 805353792 /nfs/dbraw/zinc/35/37/92/805353792.db2.gz HJERFDILSRUUIC-VXGBXAGGSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072981418 805353798 /nfs/dbraw/zinc/35/37/98/805353798.db2.gz HJERFDILSRUUIC-VXGBXAGGSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001072981418 805353810 /nfs/dbraw/zinc/35/38/10/805353810.db2.gz HJERFDILSRUUIC-VXGBXAGGSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001072981418 805353818 /nfs/dbraw/zinc/35/38/18/805353818.db2.gz HJERFDILSRUUIC-VXGBXAGGSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073426011 805367032 /nfs/dbraw/zinc/36/70/32/805367032.db2.gz NYJMHLNEOYKBGX-RYUDHWBXSA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001073426011 805367043 /nfs/dbraw/zinc/36/70/43/805367043.db2.gz NYJMHLNEOYKBGX-RYUDHWBXSA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426011 805367053 /nfs/dbraw/zinc/36/70/53/805367053.db2.gz NYJMHLNEOYKBGX-RYUDHWBXSA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001073425649 805367931 /nfs/dbraw/zinc/36/79/31/805367931.db2.gz CUKQVRIQOYODJD-LBPRGKRZSA-N 2 1 267.373 -0.535 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC3(C2)CC[N@H+](CCO)C3)C1 ZINC001073425649 805367941 /nfs/dbraw/zinc/36/79/41/805367941.db2.gz CUKQVRIQOYODJD-LBPRGKRZSA-N 2 1 267.373 -0.535 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1 ZINC001073425649 805367951 /nfs/dbraw/zinc/36/79/51/805367951.db2.gz CUKQVRIQOYODJD-LBPRGKRZSA-N 2 1 267.373 -0.535 20 0 CBADMP CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073563699 805387324 /nfs/dbraw/zinc/38/73/24/805387324.db2.gz HSDBVLPFSPURFB-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073563699 805387331 /nfs/dbraw/zinc/38/73/31/805387331.db2.gz HSDBVLPFSPURFB-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073563699 805387343 /nfs/dbraw/zinc/38/73/43/805387343.db2.gz HSDBVLPFSPURFB-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073563699 805387352 /nfs/dbraw/zinc/38/73/52/805387352.db2.gz HSDBVLPFSPURFB-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)CC[N@H+]1C ZINC001073610805 805399504 /nfs/dbraw/zinc/39/95/04/805399504.db2.gz DOISDLHZHLZFEM-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCCO2)CC[NH+]1C ZINC001073610805 805399513 /nfs/dbraw/zinc/39/95/13/805399513.db2.gz DOISDLHZHLZFEM-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)CC[NH+]1C ZINC001073610805 805399522 /nfs/dbraw/zinc/39/95/22/805399522.db2.gz DOISDLHZHLZFEM-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073661064 805404621 /nfs/dbraw/zinc/40/46/21/805404621.db2.gz VMNZTMJPQYACTI-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073661064 805404626 /nfs/dbraw/zinc/40/46/26/805404626.db2.gz VMNZTMJPQYACTI-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073661064 805404630 /nfs/dbraw/zinc/40/46/30/805404630.db2.gz VMNZTMJPQYACTI-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073661064 805404635 /nfs/dbraw/zinc/40/46/35/805404635.db2.gz VMNZTMJPQYACTI-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)CC1 ZINC001073755934 805412915 /nfs/dbraw/zinc/41/29/15/805412915.db2.gz NYQRBYBEBLXERE-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001074562675 805457048 /nfs/dbraw/zinc/45/70/48/805457048.db2.gz DFAMWDWDTHICCU-DCAQKATOSA-N 2 1 268.361 -0.855 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001074564891 805457132 /nfs/dbraw/zinc/45/71/32/805457132.db2.gz IMIPFGGFGPMAMR-SDDRHHMPSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001074564892 805457663 /nfs/dbraw/zinc/45/76/63/805457663.db2.gz IMIPFGGFGPMAMR-SRVKXCTJSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C)CC[N@H+]1C ZINC001074663153 805464513 /nfs/dbraw/zinc/46/45/13/805464513.db2.gz KYBBNLKGIYRKAY-ZDEQEGDKSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C)C(N)=O ZINC001074792960 805472172 /nfs/dbraw/zinc/47/21/72/805472172.db2.gz OFRUFWHNZMPQON-FIQHERPVSA-N 2 1 282.388 -0.467 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001074811857 805473339 /nfs/dbraw/zinc/47/33/39/805473339.db2.gz JUDYFPHSTHDWGG-SRVKXCTJSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001074971824 805478322 /nfs/dbraw/zinc/47/83/22/805478322.db2.gz AYGVAYHLLXBBSK-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001075106885 805483286 /nfs/dbraw/zinc/48/32/86/805483286.db2.gz OHCOGRWGXSKHGG-AXFHLTTASA-N 2 1 268.361 -0.998 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001075619535 805517232 /nfs/dbraw/zinc/51/72/32/805517232.db2.gz HCWSKJZLNYOOLT-YNEHKIRRSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001075619535 805517237 /nfs/dbraw/zinc/51/72/37/805517237.db2.gz HCWSKJZLNYOOLT-YNEHKIRRSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001075619535 805517240 /nfs/dbraw/zinc/51/72/40/805517240.db2.gz HCWSKJZLNYOOLT-YNEHKIRRSA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001076241486 805562495 /nfs/dbraw/zinc/56/24/95/805562495.db2.gz QHJLMTKXFOKNEZ-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076241486 805562498 /nfs/dbraw/zinc/56/24/98/805562498.db2.gz QHJLMTKXFOKNEZ-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076241486 805562499 /nfs/dbraw/zinc/56/24/99/805562499.db2.gz QHJLMTKXFOKNEZ-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001076244555 805563348 /nfs/dbraw/zinc/56/33/48/805563348.db2.gz SRGGUDSKJJHORC-MELADBBJSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001076244555 805563352 /nfs/dbraw/zinc/56/33/52/805563352.db2.gz SRGGUDSKJJHORC-MELADBBJSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001076244555 805563355 /nfs/dbraw/zinc/56/33/55/805563355.db2.gz SRGGUDSKJJHORC-MELADBBJSA-N 2 1 281.400 -0.147 20 0 CBADMP CCOCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151738351 815088849 /nfs/dbraw/zinc/08/88/49/815088849.db2.gz HVEMAZVWHYAWCT-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP CCOCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151738351 815088854 /nfs/dbraw/zinc/08/88/54/815088854.db2.gz HVEMAZVWHYAWCT-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCC[C@@H](C)O)C1 ZINC001151740453 815089338 /nfs/dbraw/zinc/08/93/38/815089338.db2.gz TYRUOEZHJDPBAI-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCC[C@@H](C)O)C1 ZINC001151740453 815089346 /nfs/dbraw/zinc/08/93/46/815089346.db2.gz TYRUOEZHJDPBAI-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOC2CCC2)C1 ZINC001151740127 815090541 /nfs/dbraw/zinc/09/05/41/815090541.db2.gz PIBCFFXLCMVUQU-AWEZNQCLSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOC2CCC2)C1 ZINC001151740127 815090547 /nfs/dbraw/zinc/09/05/47/815090547.db2.gz PIBCFFXLCMVUQU-AWEZNQCLSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccnn2C)C1 ZINC001151749263 815092067 /nfs/dbraw/zinc/09/20/67/815092067.db2.gz TVTOTNDNQPIEFR-CYBMUJFWSA-N 2 1 295.387 -0.653 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccnn2C)C1 ZINC001151749263 815092071 /nfs/dbraw/zinc/09/20/71/815092071.db2.gz TVTOTNDNQPIEFR-CYBMUJFWSA-N 2 1 295.387 -0.653 20 0 CBADMP Cn1nnnc1C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152223250 815111397 /nfs/dbraw/zinc/11/13/97/815111397.db2.gz JUOXIJXQKMQSRX-UHFFFAOYSA-N 2 1 295.391 -0.708 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001152433164 815121730 /nfs/dbraw/zinc/12/17/30/815121730.db2.gz VYXRZNZBSAZHHK-GFCCVEGCSA-N 2 1 294.403 -0.189 20 0 CBADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001152452246 815122508 /nfs/dbraw/zinc/12/25/08/815122508.db2.gz YAPRZNMWOXQBBL-ZDUSSCGKSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001152452246 815122513 /nfs/dbraw/zinc/12/25/13/815122513.db2.gz YAPRZNMWOXQBBL-ZDUSSCGKSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001152446416 815123337 /nfs/dbraw/zinc/12/33/37/815123337.db2.gz YEHBPTSVDOWRQY-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001152458020 815124251 /nfs/dbraw/zinc/12/42/51/815124251.db2.gz KTYIVQPKKDLNTB-NWDGAFQWSA-N 2 1 257.378 -0.053 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC)C(N)=O ZINC001152458351 815124414 /nfs/dbraw/zinc/12/44/14/815124414.db2.gz NYTKJMXGZBHREO-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(N)=O)c1ccccc1 ZINC001152528596 815129717 /nfs/dbraw/zinc/12/97/17/815129717.db2.gz JABJHXNQFIOUIZ-ZDUSSCGKSA-N 2 1 278.356 -0.520 20 0 CBADMP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ncnc3c2C[NH2+]C3)N1 ZINC001155573153 815296588 /nfs/dbraw/zinc/29/65/88/815296588.db2.gz YPXCUEWHZLXVJC-CABZTGNLSA-N 2 1 260.301 -0.930 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155790655 815310782 /nfs/dbraw/zinc/31/07/82/815310782.db2.gz LLPALFHWSAMVJE-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP Cn1cnnc1C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155790314 815311014 /nfs/dbraw/zinc/31/10/14/815311014.db2.gz JTBINCZXUSYHMI-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001155789925 815311196 /nfs/dbraw/zinc/31/11/96/815311196.db2.gz HZABVJIJQOQEEJ-GFCCVEGCSA-N 2 1 282.388 -0.545 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155789196 815311786 /nfs/dbraw/zinc/31/17/86/815311786.db2.gz BIBGRSSJIKNMQV-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP Cn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155790807 815311946 /nfs/dbraw/zinc/31/19/46/815311946.db2.gz NTBVPBCUARNYSO-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP COCCOCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155790955 815312399 /nfs/dbraw/zinc/31/23/99/815312399.db2.gz PQUPFHBUQOGUQI-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP CN1CCC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001155791629 815313832 /nfs/dbraw/zinc/31/38/32/815313832.db2.gz YFRYIODFEVTMEO-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001155813666 815314009 /nfs/dbraw/zinc/31/40/09/815314009.db2.gz SXPQOGKVSUUCLN-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001155810517 815315363 /nfs/dbraw/zinc/31/53/63/815315363.db2.gz CIXSTIGIYLEPJI-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+](CC)CC(=O)NC ZINC001155900325 815319668 /nfs/dbraw/zinc/31/96/68/815319668.db2.gz MBIWZSGHUYDALO-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)NC ZINC001155900325 815319674 /nfs/dbraw/zinc/31/96/74/815319674.db2.gz MBIWZSGHUYDALO-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP COCCCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156126234 815338639 /nfs/dbraw/zinc/33/86/39/815338639.db2.gz UOOPZTDLVFQGRL-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP COCCCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156126234 815338645 /nfs/dbraw/zinc/33/86/45/815338645.db2.gz UOOPZTDLVFQGRL-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001160629477 815646786 /nfs/dbraw/zinc/64/67/86/815646786.db2.gz SDSZPBOTSICAIL-KGLIPLIRSA-N 3 1 299.463 -0.592 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001156126128 815339432 /nfs/dbraw/zinc/33/94/32/815339432.db2.gz RSPLPGYYQFCWFS-QWHCGFSZSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001156126128 815339439 /nfs/dbraw/zinc/33/94/39/815339439.db2.gz RSPLPGYYQFCWFS-QWHCGFSZSA-N 2 1 285.388 -0.551 20 0 CBADMP COC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156125959 815339569 /nfs/dbraw/zinc/33/95/69/815339569.db2.gz QZGCQGPIULWNOU-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP COC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156125959 815339575 /nfs/dbraw/zinc/33/95/75/815339575.db2.gz QZGCQGPIULWNOU-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H]2CCOC2)C1 ZINC001156126127 815339600 /nfs/dbraw/zinc/33/96/00/815339600.db2.gz RSPLPGYYQFCWFS-OLZOCXBDSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H]2CCOC2)C1 ZINC001156126127 815339605 /nfs/dbraw/zinc/33/96/05/815339605.db2.gz RSPLPGYYQFCWFS-OLZOCXBDSA-N 2 1 285.388 -0.551 20 0 CBADMP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156144237 815339874 /nfs/dbraw/zinc/33/98/74/815339874.db2.gz CFEDTLCOBVSRPD-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156144237 815339881 /nfs/dbraw/zinc/33/98/81/815339881.db2.gz CFEDTLCOBVSRPD-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC2CC2)C1 ZINC001156145892 815340645 /nfs/dbraw/zinc/34/06/45/815340645.db2.gz QKDHQPPBIUYDAQ-LBPRGKRZSA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC2CC2)C1 ZINC001156145892 815340650 /nfs/dbraw/zinc/34/06/50/815340650.db2.gz QKDHQPPBIUYDAQ-LBPRGKRZSA-N 2 1 255.362 -0.177 20 0 CBADMP Cc1nocc1C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156145945 815340660 /nfs/dbraw/zinc/34/06/60/815340660.db2.gz RBZBYVQSHGSZAI-ZDUSSCGKSA-N 2 1 296.371 -0.090 20 0 CBADMP Cc1nocc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156145945 815340668 /nfs/dbraw/zinc/34/06/68/815340668.db2.gz RBZBYVQSHGSZAI-ZDUSSCGKSA-N 2 1 296.371 -0.090 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC[C@H]2CCCO2)C1 ZINC001156146339 815340885 /nfs/dbraw/zinc/34/08/85/815340885.db2.gz WMHWLIBSTHZNBA-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC[C@H]2CCCO2)C1 ZINC001156146339 815340891 /nfs/dbraw/zinc/34/08/91/815340891.db2.gz WMHWLIBSTHZNBA-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2cnns2)C1 ZINC001156152427 815341208 /nfs/dbraw/zinc/34/12/08/815341208.db2.gz QOHRRJWBAUFVMD-LLVKDONJSA-N 2 1 299.400 -0.535 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2cnns2)C1 ZINC001156152427 815341214 /nfs/dbraw/zinc/34/12/14/815341214.db2.gz QOHRRJWBAUFVMD-LLVKDONJSA-N 2 1 299.400 -0.535 20 0 CBADMP C[C@@H](O)CCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156146295 815341400 /nfs/dbraw/zinc/34/14/00/815341400.db2.gz VJXDRJSBFBFWIC-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@@H](O)CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156146295 815341409 /nfs/dbraw/zinc/34/14/09/815341409.db2.gz VJXDRJSBFBFWIC-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001086093231 810241259 /nfs/dbraw/zinc/24/12/59/810241259.db2.gz FGWGCQOYSMELLK-XJFOESAGSA-N 2 1 297.399 -0.674 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086271906 810253294 /nfs/dbraw/zinc/25/32/94/810253294.db2.gz OCUYRVLWDUCHTA-WUHRBBMRSA-N 2 1 269.389 -0.197 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001086270417 810253440 /nfs/dbraw/zinc/25/34/40/810253440.db2.gz DKELJUMRICMOOM-WUHRBBMRSA-N 2 1 296.415 -0.314 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)CC[N@H+]1C ZINC001086370166 810265393 /nfs/dbraw/zinc/26/53/93/810265393.db2.gz UKQJWILGGBSRBA-FDYHWXHSSA-N 2 1 269.389 -0.197 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086381628 810265922 /nfs/dbraw/zinc/26/59/22/810265922.db2.gz CCIDLGKOQQTFEC-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001086371069 810266021 /nfs/dbraw/zinc/26/60/21/810266021.db2.gz OKYZAYSNHVPNAZ-ZDEQEGDKSA-N 2 1 296.415 -0.314 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086476800 810274168 /nfs/dbraw/zinc/27/41/68/810274168.db2.gz DUZDDLLIMKLGNY-LPWJVIDDSA-N 2 1 269.389 -0.339 20 0 CBADMP CC[N@@H+](CCCO)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156374711 815356693 /nfs/dbraw/zinc/35/66/93/815356693.db2.gz VHHMQEWVIWVOJO-CYBMUJFWSA-N 2 1 289.420 -0.226 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001086551532 810278368 /nfs/dbraw/zinc/27/83/68/810278368.db2.gz DKELJUMRICMOOM-LPWJVIDDSA-N 2 1 296.415 -0.314 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086550854 810278813 /nfs/dbraw/zinc/27/88/13/810278813.db2.gz YCDKMSRSIHUXDH-CYDGBPFRSA-N 2 1 294.399 -0.689 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001086556355 810280279 /nfs/dbraw/zinc/28/02/79/810280279.db2.gz SQTFVEYEPFGCKR-SYQHCUMBSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001086556355 810280281 /nfs/dbraw/zinc/28/02/81/810280281.db2.gz SQTFVEYEPFGCKR-SYQHCUMBSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086558888 810280770 /nfs/dbraw/zinc/28/07/70/810280770.db2.gz ZDHLEDKXORRMJG-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1OCC ZINC001087038319 810288867 /nfs/dbraw/zinc/28/88/67/810288867.db2.gz ADZLVHKTZRLHNA-MCIONIFRSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1OCC ZINC001087038319 810288873 /nfs/dbraw/zinc/28/88/73/810288873.db2.gz ADZLVHKTZRLHNA-MCIONIFRSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCO ZINC001087530412 810295197 /nfs/dbraw/zinc/29/51/97/810295197.db2.gz ZSVGKJCNKYSQLG-XQQFMLRXSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCO ZINC001087530412 810295202 /nfs/dbraw/zinc/29/52/02/810295202.db2.gz ZSVGKJCNKYSQLG-XQQFMLRXSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCO ZINC001087530412 810295207 /nfs/dbraw/zinc/29/52/07/810295207.db2.gz ZSVGKJCNKYSQLG-XQQFMLRXSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCO ZINC001087530412 810295210 /nfs/dbraw/zinc/29/52/10/810295210.db2.gz ZSVGKJCNKYSQLG-XQQFMLRXSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC(N)=O ZINC001087799076 810306628 /nfs/dbraw/zinc/30/66/28/810306628.db2.gz CVDRFPHGAZAVSS-NWDGAFQWSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(N)=O ZINC001087799076 810306635 /nfs/dbraw/zinc/30/66/35/810306635.db2.gz CVDRFPHGAZAVSS-NWDGAFQWSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(N)=O ZINC001087828827 810308332 /nfs/dbraw/zinc/30/83/32/810308332.db2.gz WKKYWUUXZDEEMI-GRYCIOLGSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(N)=O ZINC001087828827 810308333 /nfs/dbraw/zinc/30/83/33/810308333.db2.gz WKKYWUUXZDEEMI-GRYCIOLGSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(N)=O ZINC001087828827 810308339 /nfs/dbraw/zinc/30/83/39/810308339.db2.gz WKKYWUUXZDEEMI-GRYCIOLGSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(N)=O ZINC001087828827 810308345 /nfs/dbraw/zinc/30/83/45/810308345.db2.gz WKKYWUUXZDEEMI-GRYCIOLGSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001088279315 810325011 /nfs/dbraw/zinc/32/50/11/810325011.db2.gz PWLKTJBHFBMGSU-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506323 810337409 /nfs/dbraw/zinc/33/74/09/810337409.db2.gz QFXXCURDNPJBDW-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506323 810337415 /nfs/dbraw/zinc/33/74/15/810337415.db2.gz QFXXCURDNPJBDW-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088506323 810337419 /nfs/dbraw/zinc/33/74/19/810337419.db2.gz QFXXCURDNPJBDW-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088506323 810337425 /nfs/dbraw/zinc/33/74/25/810337425.db2.gz QFXXCURDNPJBDW-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC001088836227 810363789 /nfs/dbraw/zinc/36/37/89/810363789.db2.gz LDPXMGUUADQRJO-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCO)[C@@H]1C ZINC001089040730 810374254 /nfs/dbraw/zinc/37/42/54/810374254.db2.gz IKWJBBFDYSOLJD-PWSUYJOCSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCO)[C@@H]1C ZINC001089040730 810374259 /nfs/dbraw/zinc/37/42/59/810374259.db2.gz IKWJBBFDYSOLJD-PWSUYJOCSA-N 2 1 266.345 -0.237 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001089037923 810374529 /nfs/dbraw/zinc/37/45/29/810374529.db2.gz WSYGZUAZUSVGGU-WOPDTQHZSA-N 2 1 282.388 -0.737 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001089037923 810374538 /nfs/dbraw/zinc/37/45/38/810374538.db2.gz WSYGZUAZUSVGGU-WOPDTQHZSA-N 2 1 282.388 -0.737 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001089037923 810374545 /nfs/dbraw/zinc/37/45/45/810374545.db2.gz WSYGZUAZUSVGGU-WOPDTQHZSA-N 2 1 282.388 -0.737 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001089037923 810374552 /nfs/dbraw/zinc/37/45/52/810374552.db2.gz WSYGZUAZUSVGGU-WOPDTQHZSA-N 2 1 282.388 -0.737 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCO)[C@@H]2C)C1 ZINC001089050165 810376393 /nfs/dbraw/zinc/37/63/93/810376393.db2.gz UNOZSWVORAWLBG-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCO)[C@@H]2C)C1 ZINC001089050165 810376378 /nfs/dbraw/zinc/37/63/78/810376378.db2.gz UNOZSWVORAWLBG-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCO)[C@@H]2C)C1 ZINC001089050165 810376384 /nfs/dbraw/zinc/37/63/84/810376384.db2.gz UNOZSWVORAWLBG-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCO)[C@@H]2C)C1 ZINC001089050165 810376389 /nfs/dbraw/zinc/37/63/89/810376389.db2.gz UNOZSWVORAWLBG-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCO)[C@@H]2C)C1 ZINC001089050086 810376544 /nfs/dbraw/zinc/37/65/44/810376544.db2.gz PZPMBWZGPUMXNW-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCO)[C@@H]2C)C1 ZINC001089050086 810376550 /nfs/dbraw/zinc/37/65/50/810376550.db2.gz PZPMBWZGPUMXNW-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCCO)[C@@H]2C)C1 ZINC001089050086 810376557 /nfs/dbraw/zinc/37/65/57/810376557.db2.gz PZPMBWZGPUMXNW-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCCO)[C@@H]2C)C1 ZINC001089050086 810376562 /nfs/dbraw/zinc/37/65/62/810376562.db2.gz PZPMBWZGPUMXNW-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001090390511 810487554 /nfs/dbraw/zinc/48/75/54/810487554.db2.gz HUDNCEYWCIRGPT-STQMWFEESA-N 2 1 297.399 -0.842 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090431934 810499585 /nfs/dbraw/zinc/49/95/85/810499585.db2.gz GGJQWOJUJTXEIO-QWHCGFSZSA-N 2 1 296.371 -0.611 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090431934 810499592 /nfs/dbraw/zinc/49/95/92/810499592.db2.gz GGJQWOJUJTXEIO-QWHCGFSZSA-N 2 1 296.371 -0.611 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090536531 810518470 /nfs/dbraw/zinc/51/84/70/810518470.db2.gz FVRPQQCQOFIKMR-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)CC1 ZINC001090542525 810520966 /nfs/dbraw/zinc/52/09/66/810520966.db2.gz FLCVGNJVYCCEAD-CHWSQXEVSA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)CC1 ZINC001090542525 810520974 /nfs/dbraw/zinc/52/09/74/810520974.db2.gz FLCVGNJVYCCEAD-CHWSQXEVSA-N 2 1 287.379 -0.151 20 0 CBADMP CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090807744 810566670 /nfs/dbraw/zinc/56/66/70/810566670.db2.gz BWYICTRUACYKDY-VXGBXAGGSA-N 2 1 266.345 -0.237 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090807744 810566677 /nfs/dbraw/zinc/56/66/77/810566677.db2.gz BWYICTRUACYKDY-VXGBXAGGSA-N 2 1 266.345 -0.237 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090814495 810569290 /nfs/dbraw/zinc/56/92/90/810569290.db2.gz JSNSRUTXHZJLMN-OLZOCXBDSA-N 2 1 285.388 -0.984 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090808873 810569851 /nfs/dbraw/zinc/56/98/51/810569851.db2.gz PINIMAFVSHGQAL-OLZOCXBDSA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090808873 810569853 /nfs/dbraw/zinc/56/98/53/810569853.db2.gz PINIMAFVSHGQAL-OLZOCXBDSA-N 2 1 296.371 -0.875 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090817853 810572860 /nfs/dbraw/zinc/57/28/60/810572860.db2.gz SWWPYCMBKLOCHL-QWHCGFSZSA-N 2 1 287.379 -0.007 20 0 CBADMP CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001093343896 810651437 /nfs/dbraw/zinc/65/14/37/810651437.db2.gz WDKKTFJIMHXFHK-LLVKDONJSA-N 2 1 292.387 -0.277 20 0 CBADMP CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001093308829 810652004 /nfs/dbraw/zinc/65/20/04/810652004.db2.gz MHTOVCYSLFHYJC-CYBMUJFWSA-N 2 1 292.387 -0.135 20 0 CBADMP C[NH2+]CCNc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001156893813 815388154 /nfs/dbraw/zinc/38/81/54/815388154.db2.gz WAJBCKDQNIXKRN-UHFFFAOYSA-N 2 1 278.360 -0.452 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156928036 815389653 /nfs/dbraw/zinc/38/96/53/815389653.db2.gz UBWAUTIKQAGKBS-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156928036 815389658 /nfs/dbraw/zinc/38/96/58/815389658.db2.gz UBWAUTIKQAGKBS-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2=O)C1 ZINC001094713588 810726372 /nfs/dbraw/zinc/72/63/72/810726372.db2.gz DIPYLPXJDRCVDM-DGCLKSJQSA-N 2 1 294.399 -0.498 20 0 CBADMP CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2=O)C1 ZINC001094713588 810726380 /nfs/dbraw/zinc/72/63/80/810726380.db2.gz DIPYLPXJDRCVDM-DGCLKSJQSA-N 2 1 294.399 -0.498 20 0 CBADMP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1[NH2+]CCS1 ZINC001161158663 815723803 /nfs/dbraw/zinc/72/38/03/815723803.db2.gz ZLTIFECZGJENHV-SNVBAGLBSA-N 2 1 275.374 -0.611 20 0 CBADMP C[N@H+]1CCc2nc(Cl)nc(-n3nnc(CC[NH3+])n3)c2C1 ZINC001156989246 815395796 /nfs/dbraw/zinc/39/57/96/815395796.db2.gz GEWCQVGDMNQSAV-UHFFFAOYSA-N 2 1 294.750 -0.405 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001096545873 810780989 /nfs/dbraw/zinc/78/09/89/810780989.db2.gz RPRCWNOXNSOFMR-AGIUHOORSA-N 2 1 267.373 -0.204 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001096545873 810780995 /nfs/dbraw/zinc/78/09/95/810780995.db2.gz RPRCWNOXNSOFMR-AGIUHOORSA-N 2 1 267.373 -0.204 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001096539974 810781095 /nfs/dbraw/zinc/78/10/95/810781095.db2.gz FCBFHHBBDCBSIB-NDBYEHHHSA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)C1 ZINC001096539974 810781100 /nfs/dbraw/zinc/78/11/00/810781100.db2.gz FCBFHHBBDCBSIB-NDBYEHHHSA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1 ZINC001096539974 810781105 /nfs/dbraw/zinc/78/11/05/810781105.db2.gz FCBFHHBBDCBSIB-NDBYEHHHSA-N 2 1 267.373 -0.348 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001098393856 810843776 /nfs/dbraw/zinc/84/37/76/810843776.db2.gz FCBFHHBBDCBSIB-LPWJVIDDSA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)C1 ZINC001098393856 810843783 /nfs/dbraw/zinc/84/37/83/810843783.db2.gz FCBFHHBBDCBSIB-LPWJVIDDSA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1 ZINC001098393856 810843790 /nfs/dbraw/zinc/84/37/90/810843790.db2.gz FCBFHHBBDCBSIB-LPWJVIDDSA-N 2 1 267.373 -0.348 20 0 CBADMP CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001157081874 815403744 /nfs/dbraw/zinc/40/37/44/815403744.db2.gz DIMBDQOTWLOLMP-MNOVXSKESA-N 2 1 297.359 -0.934 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872800 810955878 /nfs/dbraw/zinc/95/58/78/810955878.db2.gz ZPLOPKWIZFCGQV-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CCO)C[C@H]1O)C1CCC1 ZINC001099879318 810960275 /nfs/dbraw/zinc/96/02/75/810960275.db2.gz IRKWAHARZVCYKA-QWHCGFSZSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](CC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O)C1CCC1 ZINC001099879318 810960280 /nfs/dbraw/zinc/96/02/80/810960280.db2.gz IRKWAHARZVCYKA-QWHCGFSZSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O)C1CCC1 ZINC001099879318 810960288 /nfs/dbraw/zinc/96/02/88/810960288.db2.gz IRKWAHARZVCYKA-QWHCGFSZSA-N 2 1 285.388 -0.986 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CCO)C[C@@H]1O ZINC001099898427 810962452 /nfs/dbraw/zinc/96/24/52/810962452.db2.gz BGNJIANNVCMGFU-RYUDHWBXSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099898427 810962458 /nfs/dbraw/zinc/96/24/58/810962458.db2.gz BGNJIANNVCMGFU-RYUDHWBXSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099898427 810962462 /nfs/dbraw/zinc/96/24/62/810962462.db2.gz BGNJIANNVCMGFU-RYUDHWBXSA-N 2 1 287.404 -0.740 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971860 810981941 /nfs/dbraw/zinc/98/19/41/810981941.db2.gz NLHSUZXFDCNPNT-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099987365 810986384 /nfs/dbraw/zinc/98/63/84/810986384.db2.gz ZCFSYQVIDUPIHE-MNOVXSKESA-N 2 1 261.341 -0.541 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099987365 810986388 /nfs/dbraw/zinc/98/63/88/810986388.db2.gz ZCFSYQVIDUPIHE-MNOVXSKESA-N 2 1 261.341 -0.541 20 0 CBADMP CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037338 810998360 /nfs/dbraw/zinc/99/83/60/810998360.db2.gz XSFJCRJOLJPADI-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037338 810998366 /nfs/dbraw/zinc/99/83/66/810998366.db2.gz XSFJCRJOLJPADI-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074644 811014427 /nfs/dbraw/zinc/01/44/27/811014427.db2.gz QOQRRYKSZFLCCF-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOC)C[C@@H]1O ZINC001100081332 811016222 /nfs/dbraw/zinc/01/62/22/811016222.db2.gz QLGPNZQEPYVRDQ-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCOC)C[C@@H]1O ZINC001100081332 811016231 /nfs/dbraw/zinc/01/62/31/811016231.db2.gz QLGPNZQEPYVRDQ-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001100081332 811016239 /nfs/dbraw/zinc/01/62/39/811016239.db2.gz QLGPNZQEPYVRDQ-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC)C[C@@H]1O ZINC001100082434 811017613 /nfs/dbraw/zinc/01/76/13/811017613.db2.gz BQPXPGREPCRVAY-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC)C[C@@H]1O ZINC001100082434 811017620 /nfs/dbraw/zinc/01/76/20/811017620.db2.gz BQPXPGREPCRVAY-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC)C[C@@H]1O ZINC001100082434 811017625 /nfs/dbraw/zinc/01/76/25/811017625.db2.gz BQPXPGREPCRVAY-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132581 811028147 /nfs/dbraw/zinc/02/81/47/811028147.db2.gz WDFPIKNSMKBEQF-QWHCGFSZSA-N 2 1 287.404 -0.476 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100132581 811028155 /nfs/dbraw/zinc/02/81/55/811028155.db2.gz WDFPIKNSMKBEQF-QWHCGFSZSA-N 2 1 287.404 -0.476 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100132581 811028162 /nfs/dbraw/zinc/02/81/62/811028162.db2.gz WDFPIKNSMKBEQF-QWHCGFSZSA-N 2 1 287.404 -0.476 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001100185546 811034490 /nfs/dbraw/zinc/03/44/90/811034490.db2.gz FEVLEVUIXJCMDB-JXQTWKCFSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCCO)C2)C1 ZINC001100212064 811039075 /nfs/dbraw/zinc/03/90/75/811039075.db2.gz LYIUUYQSORWKCS-WXRRBKDZSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCCO)C2)C1 ZINC001100212064 811039084 /nfs/dbraw/zinc/03/90/84/811039084.db2.gz LYIUUYQSORWKCS-WXRRBKDZSA-N 2 1 285.388 -0.816 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001100509467 811061339 /nfs/dbraw/zinc/06/13/39/811061339.db2.gz IEQCQXRLVUWRJB-VOMCLLRMSA-N 2 1 293.371 -0.450 20 0 CBADMP CNC(=O)C[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001100873082 811083526 /nfs/dbraw/zinc/08/35/26/811083526.db2.gz UDSMDZVULGMFHV-PNESKVBLSA-N 2 1 296.415 -0.441 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100904794 811084617 /nfs/dbraw/zinc/08/46/17/811084617.db2.gz HLPMWNVINWKQLJ-UHFFFAOYSA-N 2 1 257.378 -0.195 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100898619 811084786 /nfs/dbraw/zinc/08/47/86/811084786.db2.gz QVQSWLKXBVDVHI-UHFFFAOYSA-N 2 1 284.404 -0.312 20 0 CBADMP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001100981020 811088867 /nfs/dbraw/zinc/08/88/67/811088867.db2.gz RCCDOZNCXDJAAF-CPCZMJQVSA-N 2 1 296.415 -0.489 20 0 CBADMP CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100981067 811089601 /nfs/dbraw/zinc/08/96/01/811089601.db2.gz UDFIRFWAKBPLML-OTTFEQOBSA-N 2 1 296.415 -0.441 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001101039663 811091640 /nfs/dbraw/zinc/09/16/40/811091640.db2.gz XHQMSXQBVTZUEC-BPCQOVAHSA-N 2 1 296.415 -0.301 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001101039333 811091941 /nfs/dbraw/zinc/09/19/41/811091941.db2.gz HIKJPDPIMKQVKL-UHFFFAOYSA-N 2 1 270.377 -0.704 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001101353090 811103558 /nfs/dbraw/zinc/10/35/58/811103558.db2.gz SZGZDIORXZMAPM-OCCSQVGLSA-N 2 1 269.389 -0.289 20 0 CBADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101344985 811104235 /nfs/dbraw/zinc/10/42/35/811104235.db2.gz NSGRAEQUMVPUAC-DOMZBBRYSA-N 2 1 296.415 -0.406 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046245 811144866 /nfs/dbraw/zinc/14/48/66/811144866.db2.gz UKECKBADYKJUAG-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C)[NH+](C)C ZINC001102085953 811145907 /nfs/dbraw/zinc/14/59/07/811145907.db2.gz JXZJMRWKVJESLD-JHJVBQTASA-N 2 1 298.431 -0.243 20 0 CBADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318646 811153700 /nfs/dbraw/zinc/15/37/00/811153700.db2.gz CMPVAKTYJSLTFN-UPJWGTAASA-N 2 1 296.415 -0.489 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C)[NH+](C)C ZINC001102377021 811153821 /nfs/dbraw/zinc/15/38/21/811153821.db2.gz JXZJMRWKVJESLD-UPJWGTAASA-N 2 1 298.431 -0.243 20 0 CBADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001102475233 811154864 /nfs/dbraw/zinc/15/48/64/811154864.db2.gz FKARJHUKCDWKEU-JHJVBQTASA-N 2 1 298.431 -0.114 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001102601884 811161908 /nfs/dbraw/zinc/16/19/08/811161908.db2.gz UUIBGCCKTUCSQX-VXGBXAGGSA-N 2 1 284.404 -0.504 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001102601884 811161911 /nfs/dbraw/zinc/16/19/11/811161911.db2.gz UUIBGCCKTUCSQX-VXGBXAGGSA-N 2 1 284.404 -0.504 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102601884 811161916 /nfs/dbraw/zinc/16/19/16/811161916.db2.gz UUIBGCCKTUCSQX-VXGBXAGGSA-N 2 1 284.404 -0.504 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579172 811162078 /nfs/dbraw/zinc/16/20/78/811162078.db2.gz LJGFNGXBGLQPPU-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396877 811182712 /nfs/dbraw/zinc/18/27/12/811182712.db2.gz NQYCAXUUSKVIMB-CHWSQXEVSA-N 2 1 298.431 -0.242 20 0 CBADMP Cc1cc(N(C(=N)N)C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)n[nH]1 ZINC001157440461 815433706 /nfs/dbraw/zinc/43/37/06/815433706.db2.gz YAALRVNGZULAQS-NOZJJQNGSA-N 2 1 291.359 -0.856 20 0 CBADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(C(N)=[NH2+])c1cc(C)[nH]n1 ZINC001157440028 815434405 /nfs/dbraw/zinc/43/44/05/815434405.db2.gz QJBSRECQWISWPX-VIFPVBQESA-N 3 1 281.364 -0.338 20 0 CBADMP C[NH+]1CCN(C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC1 ZINC001157451031 815435102 /nfs/dbraw/zinc/43/51/02/815435102.db2.gz JJEXLXCXNXQGAY-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP CCOC(=O)c1cn[nH]c1CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157448735 815435662 /nfs/dbraw/zinc/43/56/62/815435662.db2.gz HZPXWZNWQTZOMQ-JTQLQIEISA-N 2 1 297.359 -0.341 20 0 CBADMP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC001157448614 815435712 /nfs/dbraw/zinc/43/57/12/815435712.db2.gz CAPGSMYBIPKMEA-NSHDSACASA-N 2 1 299.371 -0.752 20 0 CBADMP C[NH+]1CCN(c2ccc(-n3cc(C[NH3+])cn3)nn2)CC1 ZINC001157472216 815436638 /nfs/dbraw/zinc/43/66/38/815436638.db2.gz YQACMPARGSXJFQ-UHFFFAOYSA-N 2 1 273.344 -0.127 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]CCCO ZINC001319285344 817185673 /nfs/dbraw/zinc/18/56/73/817185673.db2.gz ZELCHOBVVNTJFM-NWDGAFQWSA-N 2 1 257.378 -0.338 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C1 ZINC001106839377 811317544 /nfs/dbraw/zinc/31/75/44/811317544.db2.gz FAQOFQLNTZZHOE-JHJVBQTASA-N 2 1 298.431 -0.114 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106910774 811318505 /nfs/dbraw/zinc/31/85/05/811318505.db2.gz ODTRGIAACPYKLY-VXGBXAGGSA-N 2 1 284.404 -0.502 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCO ZINC001106981694 811321512 /nfs/dbraw/zinc/32/15/12/811321512.db2.gz ZISAZMNNUGXPLR-JHJVBQTASA-N 2 1 269.389 -0.386 20 0 CBADMP [NH3+][C@H]1CN(C(=O)[C@@H]2C[NH2+]Cc3ccnn32)C[C@H]1F ZINC001157533033 815442128 /nfs/dbraw/zinc/44/21/28/815442128.db2.gz XQZNLRBPCVNNTP-UTLUCORTSA-N 2 1 253.281 -0.965 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@]1(C)C[N@H+](CCCO)CCO1 ZINC001108182760 811423280 /nfs/dbraw/zinc/42/32/80/811423280.db2.gz OZPBXMOBBBFQMI-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@]1(C)C[N@@H+](CCCO)CCO1 ZINC001108182760 811423287 /nfs/dbraw/zinc/42/32/87/811423287.db2.gz OZPBXMOBBBFQMI-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001157602122 815447407 /nfs/dbraw/zinc/44/74/07/815447407.db2.gz NPMUGDQHPZBFKI-GFCCVEGCSA-N 2 1 253.346 -0.330 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001157602122 815447413 /nfs/dbraw/zinc/44/74/13/815447413.db2.gz NPMUGDQHPZBFKI-GFCCVEGCSA-N 2 1 253.346 -0.330 20 0 CBADMP C[C@]1(CNC(=O)C23CC[NH+](CC2)C3)C[N@H+](CCO)CCO1 ZINC001108343891 811439247 /nfs/dbraw/zinc/43/92/47/811439247.db2.gz CPEKBVMISDADDD-AWEZNQCLSA-N 2 1 297.399 -0.718 20 0 CBADMP C[C@]1(CNC(=O)C23CC[NH+](CC2)C3)C[N@@H+](CCO)CCO1 ZINC001108343891 811439253 /nfs/dbraw/zinc/43/92/53/811439253.db2.gz CPEKBVMISDADDD-AWEZNQCLSA-N 2 1 297.399 -0.718 20 0 CBADMP COCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108394138 811443100 /nfs/dbraw/zinc/44/31/00/811443100.db2.gz FVMINDCZBSFFEV-DZGCQCFKSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108394138 811443103 /nfs/dbraw/zinc/44/31/03/811443103.db2.gz FVMINDCZBSFFEV-DZGCQCFKSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001108394138 811443108 /nfs/dbraw/zinc/44/31/08/811443108.db2.gz FVMINDCZBSFFEV-DZGCQCFKSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001108394138 811443113 /nfs/dbraw/zinc/44/31/13/811443113.db2.gz FVMINDCZBSFFEV-DZGCQCFKSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108394139 811443486 /nfs/dbraw/zinc/44/34/86/811443486.db2.gz FVMINDCZBSFFEV-HIFRSBDPSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108394139 811443489 /nfs/dbraw/zinc/44/34/89/811443489.db2.gz FVMINDCZBSFFEV-HIFRSBDPSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001108394139 811443494 /nfs/dbraw/zinc/44/34/94/811443494.db2.gz FVMINDCZBSFFEV-HIFRSBDPSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108394139 811443500 /nfs/dbraw/zinc/44/35/00/811443500.db2.gz FVMINDCZBSFFEV-HIFRSBDPSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+]1CCN(c2nccc(N3C[C@@H]4C[NH2+][C@@H]4C3)n2)CC1 ZINC001157624215 815448649 /nfs/dbraw/zinc/44/86/49/815448649.db2.gz UNUUDAGRJKEJTE-NWDGAFQWSA-N 2 1 274.372 -0.364 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC)C2)C1)[NH+](C)C ZINC001108553545 811457309 /nfs/dbraw/zinc/45/73/09/811457309.db2.gz OSHBAYYLNKQJPF-DGCLKSJQSA-N 2 1 296.415 -0.252 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109673807 811499178 /nfs/dbraw/zinc/49/91/78/811499178.db2.gz RDXPELGULDHYBZ-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959446 811533325 /nfs/dbraw/zinc/53/33/25/811533325.db2.gz LWTGTQBCQCAHAH-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959446 811533328 /nfs/dbraw/zinc/53/33/28/811533328.db2.gz LWTGTQBCQCAHAH-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110976942 811536767 /nfs/dbraw/zinc/53/67/67/811536767.db2.gz YACPMLGJQGTYGL-UTUOFQBUSA-N 2 1 282.388 -0.594 20 0 CBADMP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110976942 811536773 /nfs/dbraw/zinc/53/67/73/811536773.db2.gz YACPMLGJQGTYGL-UTUOFQBUSA-N 2 1 282.388 -0.594 20 0 CBADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[N@H+](C(C)(C)C)CCN1 ZINC001157720256 815456636 /nfs/dbraw/zinc/45/66/36/815456636.db2.gz DPDAIGOVZPPLDU-STQMWFEESA-N 2 1 298.431 -0.495 20 0 CBADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)c1ccc([C@H]([NH3+])CN)cc1 ZINC001157720230 815456793 /nfs/dbraw/zinc/45/67/93/815456793.db2.gz DBAWKQPSJUEPRR-ZIAGYGMSSA-N 2 1 292.383 -0.295 20 0 CBADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)c1ccc([C@@H]([NH3+])CN)cc1 ZINC001157720227 815456814 /nfs/dbraw/zinc/45/68/14/815456814.db2.gz DBAWKQPSJUEPRR-KBPBESRZSA-N 2 1 292.383 -0.295 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC(F)(F)CC[C@@H]1CO ZINC001157730403 815458420 /nfs/dbraw/zinc/45/84/20/815458420.db2.gz KNRMWNONFOSYTD-LLVKDONJSA-N 2 1 291.342 -0.053 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC[C@H](F)C(=O)C1 ZINC001157731233 815459371 /nfs/dbraw/zinc/45/93/71/815459371.db2.gz WWYUJLUFZFXHFR-NSHDSACASA-N 2 1 271.336 -0.142 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001157740328 815460151 /nfs/dbraw/zinc/46/01/51/815460151.db2.gz NLKJLLWONDSALT-YPMHNXCESA-N 2 1 273.352 -0.004 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001157740328 815460161 /nfs/dbraw/zinc/46/01/61/815460161.db2.gz NLKJLLWONDSALT-YPMHNXCESA-N 2 1 273.352 -0.004 20 0 CBADMP COC[C@H](O)C[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001113292428 811628580 /nfs/dbraw/zinc/62/85/80/811628580.db2.gz ZKFZTMZXOLJTPC-CQSZACIVSA-N 2 1 299.415 -0.520 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113545568 811646898 /nfs/dbraw/zinc/64/68/98/811646898.db2.gz WCDSETDBJCGMPD-LBPRGKRZSA-N 2 1 273.377 -0.910 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157755887 815462457 /nfs/dbraw/zinc/46/24/57/815462457.db2.gz UFRPEODYPZLVDG-JSGCOSHPSA-N 2 1 286.395 -0.088 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114405131 811747970 /nfs/dbraw/zinc/74/79/70/811747970.db2.gz NQGVENAIXHZTHY-NNYUYHANSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114405131 811747978 /nfs/dbraw/zinc/74/79/78/811747978.db2.gz NQGVENAIXHZTHY-NNYUYHANSA-N 2 1 294.399 -0.609 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114411789 811748198 /nfs/dbraw/zinc/74/81/98/811748198.db2.gz KYRWKMGJPCVWRZ-JYAVWHMHSA-N 2 1 294.399 -0.737 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114411789 811748203 /nfs/dbraw/zinc/74/82/03/811748203.db2.gz KYRWKMGJPCVWRZ-JYAVWHMHSA-N 2 1 294.399 -0.737 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114411789 811748208 /nfs/dbraw/zinc/74/82/08/811748208.db2.gz KYRWKMGJPCVWRZ-JYAVWHMHSA-N 2 1 294.399 -0.737 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114411789 811748213 /nfs/dbraw/zinc/74/82/13/811748213.db2.gz KYRWKMGJPCVWRZ-JYAVWHMHSA-N 2 1 294.399 -0.737 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114414238 811748269 /nfs/dbraw/zinc/74/82/69/811748269.db2.gz PAEINMWDNMKJSM-PBOSXPJTSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114414238 811748273 /nfs/dbraw/zinc/74/82/73/811748273.db2.gz PAEINMWDNMKJSM-PBOSXPJTSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114414238 811748276 /nfs/dbraw/zinc/74/82/76/811748276.db2.gz PAEINMWDNMKJSM-PBOSXPJTSA-N 2 1 281.400 -0.102 20 0 CBADMP 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 811750725 /nfs/dbraw/zinc/75/07/25/811750725.db2.gz JUVFAJCFWBFBLH-RGDJUOJXSA-N 2 1 299.415 -0.620 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001157886994 815476564 /nfs/dbraw/zinc/47/65/64/815476564.db2.gz OKXNVBQLGVQBBO-CHWSQXEVSA-N 2 1 296.415 -0.156 20 0 CBADMP [NH3+]Cc1ncn(-c2nccc(N3CCC([NH3+])CC3)n2)n1 ZINC001157928546 815484663 /nfs/dbraw/zinc/48/46/63/815484663.db2.gz RXQOWNUVOJOINS-UHFFFAOYSA-N 2 1 274.332 -0.557 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC2(C[C@H]2CCO)CC1 ZINC001158111295 815505438 /nfs/dbraw/zinc/50/54/38/815505438.db2.gz NHDYQRLYLRPJNO-MNOVXSKESA-N 2 1 255.362 -0.326 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)CC1 ZINC001114740792 812155115 /nfs/dbraw/zinc/15/51/15/812155115.db2.gz BBGXZIMLBHAXHY-ITGUQSILSA-N 2 1 281.400 -0.243 20 0 CBADMP 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 812156478 /nfs/dbraw/zinc/15/64/78/812156478.db2.gz FMADRJRNPZKHGQ-WUHRBBMRSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114746456 812156917 /nfs/dbraw/zinc/15/69/17/812156917.db2.gz STRUQUZXQKTMDY-MEWQQHAOSA-N 2 1 282.388 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114746456 812156923 /nfs/dbraw/zinc/15/69/23/812156923.db2.gz STRUQUZXQKTMDY-MEWQQHAOSA-N 2 1 282.388 -0.752 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114750213 812157068 /nfs/dbraw/zinc/15/70/68/812157068.db2.gz CXBUHKYGYJPNPV-PJXYFTJBSA-N 2 1 255.362 -0.633 20 0 CBADMP CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774202 812159001 /nfs/dbraw/zinc/15/90/01/812159001.db2.gz JRSUAQYIQHUDCK-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774202 812159007 /nfs/dbraw/zinc/15/90/07/812159007.db2.gz JRSUAQYIQHUDCK-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114774232 812159095 /nfs/dbraw/zinc/15/90/95/812159095.db2.gz KDMVFUPJYVJYFL-JYAVWHMHSA-N 2 1 294.399 -0.737 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114774232 812159100 /nfs/dbraw/zinc/15/91/00/812159100.db2.gz KDMVFUPJYVJYFL-JYAVWHMHSA-N 2 1 294.399 -0.737 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114771697 812159569 /nfs/dbraw/zinc/15/95/69/812159569.db2.gz IORUCPKERWQILH-PJXYFTJBSA-N 2 1 255.362 -0.369 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114779160 812160083 /nfs/dbraw/zinc/16/00/83/812160083.db2.gz YCNUWMQPMWIYEV-DCQANWLSSA-N 2 1 255.362 -0.635 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115144125 812180658 /nfs/dbraw/zinc/18/06/58/812180658.db2.gz QPOHBLGBLSQGGY-IMRBUKKESA-N 2 1 269.389 -0.243 20 0 CBADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125919 812180751 /nfs/dbraw/zinc/18/07/51/812180751.db2.gz DSEMEYNADHOYQB-PJXYFTJBSA-N 2 1 255.362 -0.369 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)COC)C[C@H]21 ZINC001115160044 812182607 /nfs/dbraw/zinc/18/26/07/812182607.db2.gz NYZBVGGNPULLQF-RMRHIDDWSA-N 2 1 299.415 -0.618 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001115160044 812182613 /nfs/dbraw/zinc/18/26/13/812182613.db2.gz NYZBVGGNPULLQF-RMRHIDDWSA-N 2 1 299.415 -0.618 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001115160044 812182616 /nfs/dbraw/zinc/18/26/16/812182616.db2.gz NYZBVGGNPULLQF-RMRHIDDWSA-N 2 1 299.415 -0.618 20 0 CBADMP CN1CC[NH+](CCC(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001158198498 815512834 /nfs/dbraw/zinc/51/28/34/815512834.db2.gz FUPLHKDCBNUQNL-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115300116 812189751 /nfs/dbraw/zinc/18/97/51/812189751.db2.gz LJQQLQOBEQTKEV-MEWQQHAOSA-N 2 1 282.388 -0.753 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115300116 812189756 /nfs/dbraw/zinc/18/97/56/812189756.db2.gz LJQQLQOBEQTKEV-MEWQQHAOSA-N 2 1 282.388 -0.753 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115300116 812189760 /nfs/dbraw/zinc/18/97/60/812189760.db2.gz LJQQLQOBEQTKEV-MEWQQHAOSA-N 2 1 282.388 -0.753 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115300116 812189764 /nfs/dbraw/zinc/18/97/64/812189764.db2.gz LJQQLQOBEQTKEV-MEWQQHAOSA-N 2 1 282.388 -0.753 20 0 CBADMP Cc1nc(-n2cncc2C[C@@H]([NH3+])CO)cc(N(C)C)[nH+]1 ZINC001158204305 815513720 /nfs/dbraw/zinc/51/37/20/815513720.db2.gz VWUQBEYVPCGBHY-SNVBAGLBSA-N 2 1 276.344 -0.101 20 0 CBADMP O=C1CNC(=O)N1CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001115994961 812211741 /nfs/dbraw/zinc/21/17/41/812211741.db2.gz JBPUOIWWQRMBRF-UWVGGRQHSA-N 2 1 252.318 -0.921 20 0 CBADMP Cn1nc2c(c1C(=O)N1CC[C@@H]3[NH2+]CC[C@H]31)C[NH2+]C2 ZINC001158235488 815515411 /nfs/dbraw/zinc/51/54/11/815515411.db2.gz MLIDFRCTRFSUKQ-GXSJLCMTSA-N 2 1 261.329 -0.400 20 0 CBADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)N2C[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC001158305961 815519730 /nfs/dbraw/zinc/51/97/30/815519730.db2.gz MZCDTXSVIWMUCF-YNEHKIRRSA-N 2 1 280.416 -0.121 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@]1(N)CCC[NH2+]C1)CC2 ZINC001158346652 815521555 /nfs/dbraw/zinc/52/15/55/815521555.db2.gz BGOOMAZEJRDFQY-AWEZNQCLSA-N 2 1 277.372 -0.274 20 0 CBADMP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001158380297 815522644 /nfs/dbraw/zinc/52/26/44/815522644.db2.gz PCNBJCWBAPUSGY-IJLUTSLNSA-N 2 1 284.404 -0.314 20 0 CBADMP C[NH+]1CCC([NH2+]CCCn2cc(CO)nn2)CC1 ZINC001117631203 812423790 /nfs/dbraw/zinc/42/37/90/812423790.db2.gz MCKCLNYVCNUVFW-UHFFFAOYSA-N 2 1 253.350 -0.156 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCC2)CC[N@H+]1C ZINC001158420479 815526837 /nfs/dbraw/zinc/52/68/37/815526837.db2.gz FVEKIQWIPLYZJS-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)CC[N@H+]1C ZINC001158403496 815527011 /nfs/dbraw/zinc/52/70/11/815527011.db2.gz IYILZGREXDBHFD-YNEHKIRRSA-N 2 1 296.415 -0.299 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158422730 815527929 /nfs/dbraw/zinc/52/79/29/815527929.db2.gz LFTRZHKZSLASLX-AEJSXWLSSA-N 2 1 255.318 -0.770 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2ncnn2C)CC[N@H+]1C ZINC001158420983 815528456 /nfs/dbraw/zinc/52/84/56/815528456.db2.gz OOHGIDDPUQVVSZ-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC001118140656 812478265 /nfs/dbraw/zinc/47/82/65/812478265.db2.gz GZGPUZCMCPHUFC-IUCAKERBSA-N 2 1 251.334 -0.094 20 0 CBADMP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158428812 815529332 /nfs/dbraw/zinc/52/93/32/815529332.db2.gz UICVTPSGENFUJS-QJPTWQEYSA-N 2 1 257.378 -0.197 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C[NH3+])C1)N1CC[NH+](C)CC1 ZINC001118260585 812510130 /nfs/dbraw/zinc/51/01/30/812510130.db2.gz MAGQEDDDSCKJCA-OLZOCXBDSA-N 2 1 268.405 -0.180 20 0 CBADMP C[NH2+]CC(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC001118264568 812511295 /nfs/dbraw/zinc/51/12/95/812511295.db2.gz ITNKJUBLENROCS-UHFFFAOYSA-N 2 1 251.334 -0.276 20 0 CBADMP CN(CCC[NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001118482112 812553746 /nfs/dbraw/zinc/55/37/46/812553746.db2.gz IVEHTDCPBIVBDN-NSHDSACASA-N 2 1 257.382 -0.778 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC001118483402 812553797 /nfs/dbraw/zinc/55/37/97/812553797.db2.gz XQAAIKVKUZXPNX-QWRGUYRKSA-N 2 1 295.387 -0.332 20 0 CBADMP O=C(NCCC[NH2+]CCCO)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158505340 815536248 /nfs/dbraw/zinc/53/62/48/815536248.db2.gz BEOIBDWLONIOHF-CHWSQXEVSA-N 2 1 285.388 -0.672 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@@H](C)[NH2+]C)C1 ZINC001118550370 812573706 /nfs/dbraw/zinc/57/37/06/812573706.db2.gz DZLSGSUCSMMRPE-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567168 815538605 /nfs/dbraw/zinc/53/86/05/815538605.db2.gz FKTJUIFUYOTHIC-WCQGTBRESA-N 2 1 295.362 -0.185 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)C1 ZINC001158576610 815539130 /nfs/dbraw/zinc/53/91/30/815539130.db2.gz CCPJKOXRIMNRTF-VLEAKVRGSA-N 2 1 270.352 -0.789 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)C1 ZINC001158576606 815539483 /nfs/dbraw/zinc/53/94/83/815539483.db2.gz CCPJKOXRIMNRTF-DBIOUOCHSA-N 2 1 270.352 -0.789 20 0 CBADMP [NH3+]CCCNCC(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158577812 815539549 /nfs/dbraw/zinc/53/95/49/815539549.db2.gz JFYIZWOOHWLUAL-WDEREUQCSA-N 2 1 272.368 -0.540 20 0 CBADMP CO[C@@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)C[C@@H]1[NH3+] ZINC001158712374 815544364 /nfs/dbraw/zinc/54/43/64/815544364.db2.gz HOZRMEBJDRCYIV-NWDGAFQWSA-N 2 1 292.387 -0.609 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001158604200 815540672 /nfs/dbraw/zinc/54/06/72/815540672.db2.gz KRSWTCAZOBIGQH-NWDGAFQWSA-N 2 1 273.352 -0.275 20 0 CBADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001158626288 815541199 /nfs/dbraw/zinc/54/11/99/815541199.db2.gz IYESSFSSVSHGBX-HBNTYKKESA-N 2 1 285.392 -0.687 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001158626288 815541201 /nfs/dbraw/zinc/54/12/01/815541201.db2.gz IYESSFSSVSHGBX-HBNTYKKESA-N 2 1 285.392 -0.687 20 0 CBADMP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1cc(N)[nH+]cn1)CC2 ZINC001158642339 815541714 /nfs/dbraw/zinc/54/17/14/815541714.db2.gz LURMCAXNPNYUMO-NOZJJQNGSA-N 2 1 277.328 -0.210 20 0 CBADMP COC(=O)[C@]12CC[NH2+][C@H]1CN(c1cc(N)[nH+]cn1)CC2 ZINC001158642342 815541842 /nfs/dbraw/zinc/54/18/42/815541842.db2.gz LURMCAXNPNYUMO-ZANVPECISA-N 2 1 277.328 -0.210 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001118921325 812663363 /nfs/dbraw/zinc/66/33/63/812663363.db2.gz PXWIDHLJUIMEOM-QWRGUYRKSA-N 2 1 258.366 -0.792 20 0 CBADMP [NH3+][C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)CC12COC2 ZINC001158765924 815546154 /nfs/dbraw/zinc/54/61/54/815546154.db2.gz NLKCJXBENWUZCG-LLVKDONJSA-N 2 1 291.355 -0.523 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1CC[NH2+]CC1 ZINC001119242767 812730568 /nfs/dbraw/zinc/73/05/68/812730568.db2.gz HFLLNLNAMVAQJK-LBPRGKRZSA-N 2 1 282.388 -0.558 20 0 CBADMP C[N@@H+](CCCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC001119350105 812762532 /nfs/dbraw/zinc/76/25/32/812762532.db2.gz XLOYVWRSCGFHKW-TXEJJXNPSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC001119407880 812776849 /nfs/dbraw/zinc/77/68/49/812776849.db2.gz RBOYZSBGEKOKEK-FVCCEPFGSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119416852 812778176 /nfs/dbraw/zinc/77/81/76/812778176.db2.gz JPXIEQWJSNCXFM-HNCHTBHHSA-N 2 1 294.399 -0.561 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001119418644 812779428 /nfs/dbraw/zinc/77/94/28/812779428.db2.gz RNXMQMIDIJTTJQ-IJLUTSLNSA-N 2 1 294.399 -0.560 20 0 CBADMP CCOCC[NH+]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001119618421 812834565 /nfs/dbraw/zinc/83/45/65/812834565.db2.gz JQJOZEZBCNFDTB-AVGNSLFASA-N 2 1 257.378 -0.509 20 0 CBADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]([NH3+])CC[NH3+])C1 ZINC001159133970 815560683 /nfs/dbraw/zinc/56/06/83/815560683.db2.gz LFSXMQDAWTWSEC-NEPJUHHUSA-N 3 1 294.403 -0.921 20 0 CBADMP CO[C@]1(C[NH2+][C@H]2CCC[C@H]2N)CCS(=O)(=O)C1 ZINC001119700874 812872689 /nfs/dbraw/zinc/87/26/89/812872689.db2.gz KIQZWJDUHINURU-VWYCJHECSA-N 2 1 262.375 -0.341 20 0 CBADMP O=C1CNC(=O)N1CC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC001120263656 812944051 /nfs/dbraw/zinc/94/40/51/812944051.db2.gz AVVDPNJYXSSBOQ-UHFFFAOYSA-N 2 1 296.371 -0.617 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC001120263656 812944058 /nfs/dbraw/zinc/94/40/58/812944058.db2.gz AVVDPNJYXSSBOQ-UHFFFAOYSA-N 2 1 296.371 -0.617 20 0 CBADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)C1 ZINC001120269608 812945067 /nfs/dbraw/zinc/94/50/67/812945067.db2.gz VQWNDKQYKSMUJS-VDDIYKPWSA-N 2 1 252.318 -0.602 20 0 CBADMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC001120273858 812946939 /nfs/dbraw/zinc/94/69/39/812946939.db2.gz UDUSGPMFUVRKSD-NEPJUHHUSA-N 2 1 260.378 -0.445 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC001120273861 812946962 /nfs/dbraw/zinc/94/69/62/812946962.db2.gz UDUSGPMFUVRKSD-VXGBXAGGSA-N 2 1 260.378 -0.445 20 0 CBADMP [NH3+]C1(CNC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001120472281 812970951 /nfs/dbraw/zinc/97/09/51/812970951.db2.gz ITXSKMGPCCBOLR-UHFFFAOYSA-N 2 1 256.350 -0.501 20 0 CBADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001120480733 812972681 /nfs/dbraw/zinc/97/26/81/812972681.db2.gz BQTVFMYCCOXZMQ-GJZGRUSLSA-N 3 1 284.448 -0.474 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC[N@H+]1C ZINC001120517706 812980755 /nfs/dbraw/zinc/98/07/55/812980755.db2.gz UVZZOCXXYGERDA-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159290567 815567541 /nfs/dbraw/zinc/56/75/41/815567541.db2.gz GXIVXBZYAINGCO-STQMWFEESA-N 2 1 279.384 -0.347 20 0 CBADMP Cc1nnc(CC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)n1C ZINC001120598304 812997481 /nfs/dbraw/zinc/99/74/81/812997481.db2.gz AAOYSQNMJFXHAW-GFCCVEGCSA-N 2 1 267.377 -0.289 20 0 CBADMP Cc1nnc(CC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)n1C ZINC001120598304 812997488 /nfs/dbraw/zinc/99/74/88/812997488.db2.gz AAOYSQNMJFXHAW-GFCCVEGCSA-N 2 1 267.377 -0.289 20 0 CBADMP [NH3+]CCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001120626769 813001881 /nfs/dbraw/zinc/00/18/81/813001881.db2.gz STXTXQSNVNVKLO-ZJUUUORDSA-N 2 1 258.391 -0.176 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001159334332 815569790 /nfs/dbraw/zinc/56/97/90/815569790.db2.gz CJIDGRTVRMFSAV-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001159335070 815571127 /nfs/dbraw/zinc/57/11/27/815571127.db2.gz QOZMMYYZMFHCLN-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP CCOC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])Cc2cnn(C)c21 ZINC001159403600 815572662 /nfs/dbraw/zinc/57/26/62/815572662.db2.gz PZTKBDKEDBGYNK-RYUDHWBXSA-N 2 1 295.387 -0.442 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001121891780 813083364 /nfs/dbraw/zinc/08/33/64/813083364.db2.gz BLFMFYMHTXVZCY-TUAOUCFPSA-N 2 1 252.362 -0.805 20 0 CBADMP C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001121895089 813085101 /nfs/dbraw/zinc/08/51/01/813085101.db2.gz ARGUAYRUSJNWMK-DGCLKSJQSA-N 2 1 266.389 -0.415 20 0 CBADMP CC(C)[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001121896183 813085861 /nfs/dbraw/zinc/08/58/61/813085861.db2.gz HLBQGEVQLQPQLR-QWHCGFSZSA-N 2 1 268.405 -0.121 20 0 CBADMP O=C(C[C@@]1(O)CCC[NH2+]C1)NCCC[NH+]1CCOCC1 ZINC001121896225 813086869 /nfs/dbraw/zinc/08/68/69/813086869.db2.gz AXSTWDHEPBJGCT-AWEZNQCLSA-N 2 1 285.388 -0.671 20 0 CBADMP CC(C)(O)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001121909073 813089008 /nfs/dbraw/zinc/08/90/08/813089008.db2.gz JCZIFTLEWLHREN-GMTAPVOTSA-N 2 1 255.362 -0.172 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH2+]CCN1C ZINC001121917316 813090294 /nfs/dbraw/zinc/09/02/94/813090294.db2.gz QYDDWUICTVCPRN-QWHCGFSZSA-N 2 1 268.405 -0.119 20 0 CBADMP Cc1ccc(NCCCNC(=O)CNCC[NH3+])[nH+]c1 ZINC001121924243 813090780 /nfs/dbraw/zinc/09/07/80/813090780.db2.gz YUJVRRRKWZHMIL-UHFFFAOYSA-N 2 1 265.361 -0.143 20 0 CBADMP [NH3+]CCCSCCC(=O)N1CC[NH+](CCO)CC1 ZINC001121938359 813093497 /nfs/dbraw/zinc/09/34/97/813093497.db2.gz VZYBGIKXZUDKGY-UHFFFAOYSA-N 2 1 275.418 -0.405 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)C1CC([NH3+])C1 ZINC001121943610 813095388 /nfs/dbraw/zinc/09/53/88/813095388.db2.gz KSNQBGARYSGLLI-YYJSSNLHSA-N 2 1 252.362 -0.677 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001121975367 813098817 /nfs/dbraw/zinc/09/88/17/813098817.db2.gz RGONGEDWUXMOFG-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC001121998261 813102200 /nfs/dbraw/zinc/10/22/00/813102200.db2.gz UOCNNMWUUXQOTA-OBJOEFQTSA-N 2 1 267.373 -0.177 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001121997824 813102916 /nfs/dbraw/zinc/10/29/16/813102916.db2.gz ZLUIGIOKZSQUTL-CYBMUJFWSA-N 2 1 266.345 -0.188 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCn1cc[nH+]c1C ZINC001121996048 813103206 /nfs/dbraw/zinc/10/32/06/813103206.db2.gz BRODASPKHPOEDN-KOLCDFICSA-N 2 1 254.334 -0.476 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[NH2+]CCN1C ZINC001122005758 813103863 /nfs/dbraw/zinc/10/38/63/813103863.db2.gz SUVQBEGJOFDMJD-RAIGVLPGSA-N 2 1 266.389 -0.511 20 0 CBADMP O=C(C[NH+]1CCC(CO)CC1)N[C@H]1CCC[NH2+]C1 ZINC001122009593 813104322 /nfs/dbraw/zinc/10/43/22/813104322.db2.gz ASXOLADTMYEZNX-LBPRGKRZSA-N 2 1 255.362 -0.441 20 0 CBADMP [NH3+]Cc1ncc(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)s1 ZINC001122064419 813112099 /nfs/dbraw/zinc/11/20/99/813112099.db2.gz XVCKCHVEZGCIAZ-ZETCQYMHSA-N 2 1 268.342 -0.538 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001122075300 813113387 /nfs/dbraw/zinc/11/33/87/813113387.db2.gz KHMJRSAMRCMJKP-LOWVWBTDSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001122080161 813114883 /nfs/dbraw/zinc/11/48/83/813114883.db2.gz CIVYUHOYYKECEN-LOWDOPEQSA-N 2 1 266.389 -0.239 20 0 CBADMP [NH3+]CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001122154779 813125121 /nfs/dbraw/zinc/12/51/21/813125121.db2.gz ZEBGMBWNDCGSAN-TXEJJXNPSA-N 3 1 252.362 -0.628 20 0 CBADMP [NH3+]CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001122154779 813125126 /nfs/dbraw/zinc/12/51/26/813125126.db2.gz ZEBGMBWNDCGSAN-TXEJJXNPSA-N 3 1 252.362 -0.628 20 0 CBADMP C[C@H](C(=O)NCCN1CCC([NH3+])CC1)N1CC[NH+](C)CC1 ZINC001122156737 813126128 /nfs/dbraw/zinc/12/61/28/813126128.db2.gz BREUYEPINZOWPP-CYBMUJFWSA-N 2 1 297.447 -0.838 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCCC[C@@H]1C[NH3+] ZINC001122191044 813130607 /nfs/dbraw/zinc/13/06/07/813130607.db2.gz IFJCNKVFBHLYFH-UPJWGTAASA-N 2 1 266.389 -0.286 20 0 CBADMP O=C(NCCCCC[NH+]1CCNCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001122194641 813131511 /nfs/dbraw/zinc/13/15/11/813131511.db2.gz IVXKMXCVSVRLDH-WDNDVIMCSA-N 2 1 280.416 -0.357 20 0 CBADMP CC1(C(=O)NCCCCC[NH+]2CCNCC2)C[NH2+]C1 ZINC001122194522 813131978 /nfs/dbraw/zinc/13/19/78/813131978.db2.gz FFRZYDOKMSMFHZ-UHFFFAOYSA-N 2 1 268.405 -0.212 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[C@@H]1C[NH3+] ZINC001122221301 813135264 /nfs/dbraw/zinc/13/52/64/813135264.db2.gz WQQFTIBZCOOFFH-TUAOUCFPSA-N 2 1 252.362 -0.676 20 0 CBADMP [NH3+][C@H](CC(=O)NCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC001122240361 813137218 /nfs/dbraw/zinc/13/72/18/813137218.db2.gz VUZISSCNKPMMKT-GFCCVEGCSA-N 3 1 254.378 -0.347 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)c1cnn(C)c1 ZINC001122241524 813137448 /nfs/dbraw/zinc/13/74/48/813137448.db2.gz YXZINCJNXSARHJ-USWWRNFRSA-N 2 1 265.361 -0.076 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001122290595 813140721 /nfs/dbraw/zinc/14/07/21/813140721.db2.gz BNFPCXWTCNBDML-GFCCVEGCSA-N 2 1 252.318 -0.496 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001122290596 813140755 /nfs/dbraw/zinc/14/07/55/813140755.db2.gz BNFPCXWTCNBDML-LBPRGKRZSA-N 2 1 252.318 -0.496 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001159533288 815579908 /nfs/dbraw/zinc/57/99/08/815579908.db2.gz KPFUAWMNMDWKGW-MELADBBJSA-N 2 1 277.368 -0.133 20 0 CBADMP COC[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001122333435 813148564 /nfs/dbraw/zinc/14/85/64/813148564.db2.gz ZAZVMWQYWHBIRK-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CN1CCN(C(=O)C[NH2+]C2CC2)CC[N@H+](C)CC1 ZINC001122376694 813155670 /nfs/dbraw/zinc/15/56/70/813155670.db2.gz DYVQHUACLSOHDD-UHFFFAOYSA-N 2 1 254.378 -0.556 20 0 CBADMP CN1CCN(C(=O)C[NH2+]C2CC2)CC[N@@H+](C)CC1 ZINC001122376694 813155677 /nfs/dbraw/zinc/15/56/77/813155677.db2.gz DYVQHUACLSOHDD-UHFFFAOYSA-N 2 1 254.378 -0.556 20 0 CBADMP CC(C)([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001122442407 813165609 /nfs/dbraw/zinc/16/56/09/813165609.db2.gz OVPKVAOJWCUIJE-GHMZBOCLSA-N 2 1 255.362 -0.219 20 0 CBADMP CN1CCN(c2ccc(N[C@@H]([NH3+])CCC[NH3+])nn2)CC1 ZINC001159780193 815594891 /nfs/dbraw/zinc/59/48/91/815594891.db2.gz SZRFHGORWKSHPW-LLVKDONJSA-N 2 1 279.392 -0.336 20 0 CBADMP N[C@@H](CCC[NH3+])Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001159779362 815594965 /nfs/dbraw/zinc/59/49/65/815594965.db2.gz FXCKWHHUHCJXQA-SNVBAGLBSA-N 2 1 265.365 -0.678 20 0 CBADMP CS(=O)(=O)c1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001159787034 815596608 /nfs/dbraw/zinc/59/66/08/815596608.db2.gz PXCRBFBKAZYDRQ-SECBINFHSA-N 2 1 258.347 -0.079 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CCCC1 ZINC001123482107 813242914 /nfs/dbraw/zinc/24/29/14/813242914.db2.gz KASZDJGJPOSRSS-OLZOCXBDSA-N 2 1 266.389 -0.413 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC([NH+](C)C)C1 ZINC001123775515 813270274 /nfs/dbraw/zinc/27/02/74/813270274.db2.gz XJKBKEYJXAAYJW-JQWIXIFHSA-N 2 1 252.362 -0.853 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001123860984 813280554 /nfs/dbraw/zinc/28/05/54/813280554.db2.gz WGHCPPRLCAGNLY-JSGCOSHPSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](C)C[C@]1(O)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001123859594 813281059 /nfs/dbraw/zinc/28/10/59/813281059.db2.gz HBWGYTICKJWCLP-CQSZACIVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001124838318 813485136 /nfs/dbraw/zinc/48/51/36/813485136.db2.gz VXKZOXUQLREQKK-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001124837289 813485630 /nfs/dbraw/zinc/48/56/30/813485630.db2.gz LDHRQCKFUSIDSA-GFCCVEGCSA-N 2 1 282.388 -0.687 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001124835488 813485940 /nfs/dbraw/zinc/48/59/40/813485940.db2.gz AETYNKAHKLQNQD-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001124837298 813486251 /nfs/dbraw/zinc/48/62/51/813486251.db2.gz LDHRQCKFUSIDSA-LBPRGKRZSA-N 2 1 282.388 -0.687 20 0 CBADMP CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124866942 813489323 /nfs/dbraw/zinc/48/93/23/813489323.db2.gz NZZMIHBSHQCGCL-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001124866357 813489459 /nfs/dbraw/zinc/48/94/59/813489459.db2.gz AUTGFAHBZNKTQE-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001124866580 813489443 /nfs/dbraw/zinc/48/94/43/813489443.db2.gz GKDIGTXLDWCGDV-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001124867019 813489574 /nfs/dbraw/zinc/48/95/74/813489574.db2.gz PZUKSCVJTUYLIW-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001124872947 813491374 /nfs/dbraw/zinc/49/13/74/813491374.db2.gz PTYVWWOIINIAGZ-CYBMUJFWSA-N 2 1 294.403 -0.305 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124867482 813491794 /nfs/dbraw/zinc/49/17/94/813491794.db2.gz WIQSMNXSHJVVBA-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124872567 813491874 /nfs/dbraw/zinc/49/18/74/813491874.db2.gz KMVLKJCLLHVTJY-SNVBAGLBSA-N 2 1 266.349 -0.885 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124872567 813491877 /nfs/dbraw/zinc/49/18/77/813491877.db2.gz KMVLKJCLLHVTJY-SNVBAGLBSA-N 2 1 266.349 -0.885 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001124879660 813493301 /nfs/dbraw/zinc/49/33/01/813493301.db2.gz YBBCGYMOVNHVOP-RYUDHWBXSA-N 2 1 292.387 -0.435 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124877592 813493321 /nfs/dbraw/zinc/49/33/21/813493321.db2.gz GZVPTUGKJGDGMJ-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001124878404 813493686 /nfs/dbraw/zinc/49/36/86/813493686.db2.gz LQWRHIVEWMCQAQ-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001124878401 813493785 /nfs/dbraw/zinc/49/37/85/813493785.db2.gz LQWRHIVEWMCQAQ-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001124878818 813494619 /nfs/dbraw/zinc/49/46/19/813494619.db2.gz OWJVSUCACOJRKF-ZJUUUORDSA-N 2 1 256.350 -0.950 20 0 CBADMP Cc1cccnc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125214323 813532330 /nfs/dbraw/zinc/53/23/30/813532330.db2.gz RFFBMRPCQLJPHX-CQSZACIVSA-N 2 1 292.383 -0.074 20 0 CBADMP Cc1cccnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125214323 813532335 /nfs/dbraw/zinc/53/23/35/813532335.db2.gz RFFBMRPCQLJPHX-CQSZACIVSA-N 2 1 292.383 -0.074 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCC(F)(F)F)C1 ZINC001125220169 813533685 /nfs/dbraw/zinc/53/36/85/813533685.db2.gz DGDLYJXVSMWASR-VIFPVBQESA-N 2 1 283.294 -0.025 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCC(F)(F)F)C1 ZINC001125220169 813533689 /nfs/dbraw/zinc/53/36/89/813533689.db2.gz DGDLYJXVSMWASR-VIFPVBQESA-N 2 1 283.294 -0.025 20 0 CBADMP CC(C)OCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125221171 813535367 /nfs/dbraw/zinc/53/53/67/813535367.db2.gz NXXOKQUHBXYEPZ-CYBMUJFWSA-N 2 1 287.404 -0.162 20 0 CBADMP CC(C)OCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125221171 813535373 /nfs/dbraw/zinc/53/53/73/813535373.db2.gz NXXOKQUHBXYEPZ-CYBMUJFWSA-N 2 1 287.404 -0.162 20 0 CBADMP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125221767 813535508 /nfs/dbraw/zinc/53/55/08/813535508.db2.gz TYERPFKYRSCVDP-MNOVXSKESA-N 2 1 259.350 -0.942 20 0 CBADMP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125221767 813535514 /nfs/dbraw/zinc/53/55/14/813535514.db2.gz TYERPFKYRSCVDP-MNOVXSKESA-N 2 1 259.350 -0.942 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC001125220572 813535892 /nfs/dbraw/zinc/53/58/92/813535892.db2.gz JMBODSPLQNKCCV-QWHCGFSZSA-N 2 1 299.415 -0.162 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC001125220572 813535898 /nfs/dbraw/zinc/53/58/98/813535898.db2.gz JMBODSPLQNKCCV-QWHCGFSZSA-N 2 1 299.415 -0.162 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@@H]2CCOC2)C1 ZINC001125221154 813536540 /nfs/dbraw/zinc/53/65/40/813536540.db2.gz NRBMVAPMWHXCSD-CHWSQXEVSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@@H]2CCOC2)C1 ZINC001125221154 813536552 /nfs/dbraw/zinc/53/65/52/813536552.db2.gz NRBMVAPMWHXCSD-CHWSQXEVSA-N 2 1 285.388 -0.551 20 0 CBADMP CC(C)OCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125226644 813538925 /nfs/dbraw/zinc/53/89/25/813538925.db2.gz FQADFYDXXYPYJC-GFCCVEGCSA-N 2 1 273.377 -0.552 20 0 CBADMP CC(C)OCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125226644 813538933 /nfs/dbraw/zinc/53/89/33/813538933.db2.gz FQADFYDXXYPYJC-GFCCVEGCSA-N 2 1 273.377 -0.552 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001127065620 813708836 /nfs/dbraw/zinc/70/88/36/813708836.db2.gz CDIXDOQDVQLWPH-SNVBAGLBSA-N 2 1 256.350 -0.950 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066826 813709918 /nfs/dbraw/zinc/70/99/18/813709918.db2.gz SRCMDBHCHVSLQS-LLVKDONJSA-N 2 1 270.377 -0.689 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001127065845 813709997 /nfs/dbraw/zinc/70/99/97/813709997.db2.gz FYETYRJCVMRYEL-CHWSQXEVSA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001127065667 813710017 /nfs/dbraw/zinc/71/00/17/813710017.db2.gz CUNUUECIHUJGKL-RYUDHWBXSA-N 2 1 282.388 -0.547 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001127067498 813710452 /nfs/dbraw/zinc/71/04/52/813710452.db2.gz YKYAQOPOSRYFFF-GHMZBOCLSA-N 2 1 270.377 -0.561 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001127082501 813711877 /nfs/dbraw/zinc/71/18/77/813711877.db2.gz SHHBNHDEFGCWBW-NWDGAFQWSA-N 2 1 284.404 -0.171 20 0 CBADMP O=C(NCC[NH2+]CCOCCO)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256766 813721346 /nfs/dbraw/zinc/72/13/46/813721346.db2.gz RQAGTIAANCGMEU-KGLIPLIRSA-N 2 1 299.415 -0.425 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127260222 813721634 /nfs/dbraw/zinc/72/16/34/813721634.db2.gz AABUTXNJRFNSDL-NEPJUHHUSA-N 2 1 255.362 -0.441 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127260230 813722029 /nfs/dbraw/zinc/72/20/29/813722029.db2.gz AABUTXNJRFNSDL-VXGBXAGGSA-N 2 1 255.362 -0.441 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001127474161 813732577 /nfs/dbraw/zinc/73/25/77/813732577.db2.gz HWJLAILTZFUJTH-CQSZACIVSA-N 2 1 291.399 -0.032 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCN2CCCC2=O)CC[N@H+]1C ZINC001127643582 813738558 /nfs/dbraw/zinc/73/85/58/813738558.db2.gz BNWINDDMSGYGMZ-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nnnn1C ZINC001127637955 813738597 /nfs/dbraw/zinc/73/85/97/813738597.db2.gz DAEVXHZYKHGHKI-GMTAPVOTSA-N 2 1 295.391 -0.683 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nnnn1C ZINC001127637955 813738602 /nfs/dbraw/zinc/73/86/02/813738602.db2.gz DAEVXHZYKHGHKI-GMTAPVOTSA-N 2 1 295.391 -0.683 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001127644262 813738709 /nfs/dbraw/zinc/73/87/09/813738709.db2.gz XESHXQSUBXEBMW-IJLUTSLNSA-N 2 1 282.388 -0.737 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2cnnn2C)CC[N@H+]1C ZINC001127695235 813740923 /nfs/dbraw/zinc/74/09/23/813740923.db2.gz FUMABIATSAXPLE-QWHCGFSZSA-N 2 1 294.403 -0.249 20 0 CBADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001127675694 813741100 /nfs/dbraw/zinc/74/11/00/813741100.db2.gz ULSOBQZWQHSSHX-GHMZBOCLSA-N 2 1 295.387 -0.024 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127690707 813741177 /nfs/dbraw/zinc/74/11/77/813741177.db2.gz RLTQJDRJDXZFKM-DGCLKSJQSA-N 2 1 294.403 -0.156 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC(C)C)CC[N@H+]1C ZINC001127695544 813741377 /nfs/dbraw/zinc/74/13/77/813741377.db2.gz PWWFFHUZPOYETK-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCOCCO)CC[N@H+]1C ZINC001127701291 813741899 /nfs/dbraw/zinc/74/18/99/813741899.db2.gz MXMBHRKGFKQYBQ-QWHCGFSZSA-N 2 1 287.404 -0.569 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001127701470 813742201 /nfs/dbraw/zinc/74/22/01/813742201.db2.gz PPFOYHNTCAMNJP-YNEHKIRRSA-N 2 1 296.415 -0.299 20 0 CBADMP O=C(NCC[NH2+]CC1CC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127778836 813747156 /nfs/dbraw/zinc/74/71/56/813747156.db2.gz GTCFMTFIMOLDTN-QWHCGFSZSA-N 2 1 267.373 -0.035 20 0 CBADMP CC(C)OCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127760323 813747191 /nfs/dbraw/zinc/74/71/91/813747191.db2.gz JEGHPCWXODIPLX-ZIAGYGMSSA-N 2 1 299.415 -0.020 20 0 CBADMP CC(C)[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127760107 813747328 /nfs/dbraw/zinc/74/73/28/813747328.db2.gz DJFPPVMCYDIFHM-NWDGAFQWSA-N 2 1 255.362 -0.036 20 0 CBADMP O=C(NCC[NH2+]CC1CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127778834 813747766 /nfs/dbraw/zinc/74/77/66/813747766.db2.gz GTCFMTFIMOLDTN-OLZOCXBDSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(NCC[NH2+]Cc1ccon1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779249 813748759 /nfs/dbraw/zinc/74/87/59/813748759.db2.gz KBCRVQXEQAYYMN-QWHCGFSZSA-N 2 1 294.355 -0.256 20 0 CBADMP O=C(NCC[NH2+]Cc1ccon1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779249 813748763 /nfs/dbraw/zinc/74/87/63/813748763.db2.gz KBCRVQXEQAYYMN-QWHCGFSZSA-N 2 1 294.355 -0.256 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001128773927 813796859 /nfs/dbraw/zinc/79/68/59/813796859.db2.gz IYCRFRKPBROXIT-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001128773569 813797034 /nfs/dbraw/zinc/79/70/34/813797034.db2.gz BMODUTPBMVLZKN-CYBMUJFWSA-N 2 1 294.403 -0.105 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001128773569 813797039 /nfs/dbraw/zinc/79/70/39/813797039.db2.gz BMODUTPBMVLZKN-CYBMUJFWSA-N 2 1 294.403 -0.105 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001128774216 813797330 /nfs/dbraw/zinc/79/73/30/813797330.db2.gz PEKPKWXFNWGHQD-ZDUSSCGKSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001128778156 813797785 /nfs/dbraw/zinc/79/77/85/813797785.db2.gz BNTXZWOQPDOWOI-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001128783869 813799773 /nfs/dbraw/zinc/79/97/73/813799773.db2.gz JLDXVUUHCCJBFP-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001128783477 813800420 /nfs/dbraw/zinc/80/04/20/813800420.db2.gz HRDISQHGZFQRJI-CYBMUJFWSA-N 2 1 294.403 -0.142 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001129418986 813841113 /nfs/dbraw/zinc/84/11/13/813841113.db2.gz ZTGUHRZPLAITPK-CHWSQXEVSA-N 2 1 296.415 -0.156 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129417836 813843446 /nfs/dbraw/zinc/84/34/46/813843446.db2.gz QHFNCBFOJXAEON-LLVKDONJSA-N 2 1 293.371 -0.446 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001129422729 813843499 /nfs/dbraw/zinc/84/34/99/813843499.db2.gz LHNSRPVMRUNBDN-NWDGAFQWSA-N 2 1 284.404 -0.171 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CCO ZINC001129423307 813843733 /nfs/dbraw/zinc/84/37/33/813843733.db2.gz RWJULTFSLUZRNH-GFCCVEGCSA-N 2 1 257.378 -0.053 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001129422732 813843838 /nfs/dbraw/zinc/84/38/38/813843838.db2.gz LHNSRPVMRUNBDN-VXGBXAGGSA-N 2 1 284.404 -0.171 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001129437207 813846128 /nfs/dbraw/zinc/84/61/28/813846128.db2.gz XRGVRNGYNYRRGB-LBPRGKRZSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H](O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129840744 813870130 /nfs/dbraw/zinc/87/01/30/813870130.db2.gz IRDRVLIZPHXNHO-VXGBXAGGSA-N 2 1 257.378 -0.053 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001129854973 813870586 /nfs/dbraw/zinc/87/05/86/813870586.db2.gz AQIZYGLXUVNGMT-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001129854974 813870805 /nfs/dbraw/zinc/87/08/05/813870805.db2.gz AQIZYGLXUVNGMT-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129839428 813870953 /nfs/dbraw/zinc/87/09/53/813870953.db2.gz ACNCTNYKBLISAI-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001129947329 813882395 /nfs/dbraw/zinc/88/23/95/813882395.db2.gz VICJLHJAISMRSB-LBPRGKRZSA-N 2 1 282.392 -0.393 20 0 CBADMP CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137141 813910867 /nfs/dbraw/zinc/91/08/67/813910867.db2.gz LHNOHWUOPFZMTL-OLZOCXBDSA-N 2 1 294.403 -0.020 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130188575 813917181 /nfs/dbraw/zinc/91/71/81/813917181.db2.gz GQKUHCVGEUBFBL-NWDGAFQWSA-N 2 1 255.362 -0.299 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001130297110 813922441 /nfs/dbraw/zinc/92/24/41/813922441.db2.gz IDLGJCLOCCZGLA-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130303423 813924413 /nfs/dbraw/zinc/92/44/13/813924413.db2.gz CDNVLQMKYAAOGG-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)nn1 ZINC001130304252 813925456 /nfs/dbraw/zinc/92/54/56/813925456.db2.gz YWERRFBQUNUUMA-CYBMUJFWSA-N 2 1 294.403 -0.012 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)nn1 ZINC001130304252 813925462 /nfs/dbraw/zinc/92/54/62/813925462.db2.gz YWERRFBQUNUUMA-CYBMUJFWSA-N 2 1 294.403 -0.012 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001130303741 813925684 /nfs/dbraw/zinc/92/56/84/813925684.db2.gz INMYTHAZGZSQPG-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC001130300846 813925902 /nfs/dbraw/zinc/92/59/02/813925902.db2.gz WCYGIUYILZLXDP-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001130425351 813938869 /nfs/dbraw/zinc/93/88/69/813938869.db2.gz VERPYGUQXOTRRI-JTQLQIEISA-N 2 1 298.387 -0.772 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130419316 813938926 /nfs/dbraw/zinc/93/89/26/813938926.db2.gz UMHWQCVUVPIYBR-UHFFFAOYSA-N 2 1 286.420 -0.051 20 0 CBADMP C[C@H](O)C[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130645157 813958886 /nfs/dbraw/zinc/95/88/86/813958886.db2.gz ACRJIZGQROFBOM-VIFPVBQESA-N 2 1 270.333 -0.564 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001131380035 814026797 /nfs/dbraw/zinc/02/67/97/814026797.db2.gz AVDRKFZRIVTVLG-NSHDSACASA-N 2 1 279.344 -0.824 20 0 CBADMP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131522137 814037509 /nfs/dbraw/zinc/03/75/09/814037509.db2.gz UFYDBWWEADTXPN-UQJCBBSYSA-N 2 1 297.399 -0.410 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001131682395 814053800 /nfs/dbraw/zinc/05/38/00/814053800.db2.gz OQKFBVSYQJDSIU-UKRRQHHQSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC(N)=O ZINC001132274694 814120472 /nfs/dbraw/zinc/12/04/72/814120472.db2.gz YLEVEEQCFXSNLH-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC(N)=O ZINC001132274694 814120476 /nfs/dbraw/zinc/12/04/76/814120476.db2.gz YLEVEEQCFXSNLH-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1CCO ZINC001132279410 814120780 /nfs/dbraw/zinc/12/07/80/814120780.db2.gz WSQBZLGGYDHRGA-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H]1CC[C@@H](NC(=O)COCC[NH+](C)C)C[N@H+]1CCO ZINC001132425610 814148109 /nfs/dbraw/zinc/14/81/09/814148109.db2.gz JTBNBUCGYSIRBQ-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132852118 814194019 /nfs/dbraw/zinc/19/40/19/814194019.db2.gz HZVONGIUVUXJTR-CHWSQXEVSA-N 2 1 287.404 -0.164 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[NH2+]CCO)CC2 ZINC001133000838 814205909 /nfs/dbraw/zinc/20/59/09/814205909.db2.gz LQPVCPJWAIKTOB-LLVKDONJSA-N 2 1 266.345 -0.548 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)c1nncn1C ZINC001132994925 814207419 /nfs/dbraw/zinc/20/74/19/814207419.db2.gz GFKUXJGVQQWTQU-LLVKDONJSA-N 2 1 294.403 -0.076 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040507 814212332 /nfs/dbraw/zinc/21/23/32/814212332.db2.gz UKROSJVZGVHASL-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CC[C@H](C(=O)NCC[NH2+]Cc1nnnn1C)[NH+](CC)CC ZINC001133684598 814287984 /nfs/dbraw/zinc/28/79/84/814287984.db2.gz KJPBBPWBBFRAFY-LLVKDONJSA-N 2 1 297.407 -0.464 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1nnnn1C ZINC001133819421 814299842 /nfs/dbraw/zinc/29/98/42/814299842.db2.gz BNQDGILIIYYCIA-QWRGUYRKSA-N 2 1 295.391 -0.539 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)c1nnnn1C ZINC001133819421 814299851 /nfs/dbraw/zinc/29/98/51/814299851.db2.gz BNQDGILIIYYCIA-QWRGUYRKSA-N 2 1 295.391 -0.539 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001133819652 814300970 /nfs/dbraw/zinc/30/09/70/814300970.db2.gz KEYCYWCOODHPQU-LLVKDONJSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCOCCO ZINC001133819832 814301014 /nfs/dbraw/zinc/30/10/14/814301014.db2.gz PIQUZNMLJMBRTN-GFCCVEGCSA-N 2 1 273.377 -0.815 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001133833714 814301549 /nfs/dbraw/zinc/30/15/49/814301549.db2.gz DDWSDISYWRJDTF-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP CCN1CC[C@H]([NH2+]CCNC(=O)C[N@H+]2CCC[C@H]2C)C1=O ZINC001133823475 814302927 /nfs/dbraw/zinc/30/29/27/814302927.db2.gz HKGCCEXWLDGSRH-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001133824137 814303238 /nfs/dbraw/zinc/30/32/38/814303238.db2.gz YOKKGYGBXXHJRP-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845930 814306199 /nfs/dbraw/zinc/30/61/99/814306199.db2.gz QDSTWSWLVGZJNN-CYBMUJFWSA-N 2 1 287.404 -0.303 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845957 814306222 /nfs/dbraw/zinc/30/62/22/814306222.db2.gz QMFKTSRWTIYAFE-VXGBXAGGSA-N 2 1 273.377 -0.959 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133853204 814306613 /nfs/dbraw/zinc/30/66/13/814306613.db2.gz DZXQTYADCXFPBD-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001133846036 814306678 /nfs/dbraw/zinc/30/66/78/814306678.db2.gz SEMVUIUGNBIVAK-LLVKDONJSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001133849635 814307655 /nfs/dbraw/zinc/30/76/55/814307655.db2.gz BBAWOGSVLVCSSX-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001133849634 814308634 /nfs/dbraw/zinc/30/86/34/814308634.db2.gz BBAWOGSVLVCSSX-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845576 814308710 /nfs/dbraw/zinc/30/87/10/814308710.db2.gz IWSYTKNKRRBIPI-QWRGUYRKSA-N 2 1 270.377 -0.832 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001133845447 814309065 /nfs/dbraw/zinc/30/90/65/814309065.db2.gz GDIBUPAPZYTZBW-ZDUSSCGKSA-N 2 1 279.388 -0.069 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001133853431 814310294 /nfs/dbraw/zinc/31/02/94/814310294.db2.gz IUPVVQMJPOIQCP-GFCCVEGCSA-N 2 1 282.388 -0.734 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001133853456 814310677 /nfs/dbraw/zinc/31/06/77/814310677.db2.gz KCJWQDLWGKNKFV-GFCCVEGCSA-N 2 1 296.415 -0.440 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133862052 814310789 /nfs/dbraw/zinc/31/07/89/814310789.db2.gz AJHLYIKVXDGELW-CHWSQXEVSA-N 2 1 287.404 -0.447 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001133862838 814310803 /nfs/dbraw/zinc/31/08/03/814310803.db2.gz GTTJWHZLJMLWBG-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133863842 814310884 /nfs/dbraw/zinc/31/08/84/814310884.db2.gz PZJGWEGRBQMANO-VXGBXAGGSA-N 2 1 257.378 -0.074 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133862055 814311468 /nfs/dbraw/zinc/31/14/68/814311468.db2.gz AJHLYIKVXDGELW-OLZOCXBDSA-N 2 1 287.404 -0.447 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001133866715 814312685 /nfs/dbraw/zinc/31/26/85/814312685.db2.gz OBHOBONSQHPLIK-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869279 814313004 /nfs/dbraw/zinc/31/30/04/814313004.db2.gz CIFXSGNEBGSRIS-QWHCGFSZSA-N 2 1 298.431 -0.243 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001133867038 814313361 /nfs/dbraw/zinc/31/33/61/814313361.db2.gz QSDXUCMAVPVUTJ-DGCLKSJQSA-N 2 1 279.388 -0.176 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001133869286 814313621 /nfs/dbraw/zinc/31/36/21/814313621.db2.gz CLZSTVDZMQXFBL-WDEREUQCSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001133869286 814313629 /nfs/dbraw/zinc/31/36/29/814313629.db2.gz CLZSTVDZMQXFBL-WDEREUQCSA-N 2 1 280.376 -0.781 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)nn1 ZINC001133864270 814313923 /nfs/dbraw/zinc/31/39/23/814313923.db2.gz YEYPFGIWSQUKRL-YPMHNXCESA-N 2 1 294.403 -0.299 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)nn1 ZINC001133864270 814313932 /nfs/dbraw/zinc/31/39/32/814313932.db2.gz YEYPFGIWSQUKRL-YPMHNXCESA-N 2 1 294.403 -0.299 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133867274 814314546 /nfs/dbraw/zinc/31/45/46/814314546.db2.gz TUYMDENOYXLFAR-NEPJUHHUSA-N 2 1 257.378 -0.074 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cncn1C ZINC001133866726 814314858 /nfs/dbraw/zinc/31/48/58/814314858.db2.gz OFTIURDAXPZSOI-WCQYABFASA-N 2 1 279.388 -0.176 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001133864018 814315352 /nfs/dbraw/zinc/31/53/52/814315352.db2.gz SWRQQFSCPFXDBB-OCCSQVGLSA-N 2 1 293.415 -0.134 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001133866713 814315841 /nfs/dbraw/zinc/31/58/41/814315841.db2.gz OBHOBONSQHPLIK-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001133869784 814316719 /nfs/dbraw/zinc/31/67/19/814316719.db2.gz LEPBRXIRLNGCNS-NSHDSACASA-N 2 1 293.371 -0.794 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133869724 814317250 /nfs/dbraw/zinc/31/72/50/814317250.db2.gz KCMCXCFHBNYWOQ-CHWSQXEVSA-N 2 1 298.431 -0.242 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[NH2+]C[C@@H](C)O)C2 ZINC001133872824 814317561 /nfs/dbraw/zinc/31/75/61/814317561.db2.gz CUEZDJSJUBNXFM-PWSUYJOCSA-N 2 1 280.372 -0.159 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001133873409 814318434 /nfs/dbraw/zinc/31/84/34/814318434.db2.gz YFSXVENDGGJTCV-UHFFFAOYSA-N 2 1 296.415 -0.344 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133870148 814318715 /nfs/dbraw/zinc/31/87/15/814318715.db2.gz QQJVFFQQVUNCPB-GHMZBOCLSA-N 2 1 270.377 -0.974 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+][C@H]1CCNC1=O)CC(C)(C)C ZINC001133899405 814319810 /nfs/dbraw/zinc/31/98/10/814319810.db2.gz GABLRUBPCKYTMC-NSHDSACASA-N 2 1 284.404 -0.441 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896496 814320054 /nfs/dbraw/zinc/32/00/54/814320054.db2.gz LLCMJGKWZXMIRN-NSHDSACASA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1)C(=O)N(C)C ZINC001133896675 814320822 /nfs/dbraw/zinc/32/08/22/814320822.db2.gz NZRBIUDGKVJNNE-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+][C@@H]1CCNC1=O)CC(C)(C)C ZINC001133899403 814321076 /nfs/dbraw/zinc/32/10/76/814321076.db2.gz GABLRUBPCKYTMC-LLVKDONJSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001133908052 814322356 /nfs/dbraw/zinc/32/23/56/814322356.db2.gz FRINXHMAAMUDOS-NSHDSACASA-N 2 1 286.420 -0.066 20 0 CBADMP CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1nnnn1C)[NH+](C)C ZINC001133966247 814331706 /nfs/dbraw/zinc/33/17/06/814331706.db2.gz ZJVMGXFBJWIQCG-ZJUUUORDSA-N 2 1 283.380 -0.683 20 0 CBADMP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1nncn1C)[NH+](C)C ZINC001133965614 814331757 /nfs/dbraw/zinc/33/17/57/814331757.db2.gz BCQIOZDXCWRYGL-QWRGUYRKSA-N 2 1 282.392 -0.078 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001134570050 814397387 /nfs/dbraw/zinc/39/73/87/814397387.db2.gz HMEQOHGINJRZDA-JTQLQIEISA-N 2 1 281.360 -0.414 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+]CCO ZINC001134573639 814397880 /nfs/dbraw/zinc/39/78/80/814397880.db2.gz AHSVGCRGKBMMFC-UHFFFAOYSA-N 2 1 254.334 -0.295 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001135028030 814430794 /nfs/dbraw/zinc/43/07/94/814430794.db2.gz BLTFEHCUXSMUKS-UWVGGRQHSA-N 2 1 281.360 -0.450 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135028149 814431284 /nfs/dbraw/zinc/43/12/84/814431284.db2.gz CGRNJUKDTUHEAN-GHMZBOCLSA-N 2 1 295.387 -0.190 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135102235 814437623 /nfs/dbraw/zinc/43/76/23/814437623.db2.gz AIYDYSRIVNPMEN-VXGBXAGGSA-N 2 1 255.362 -0.299 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CCCF ZINC001135350456 814468592 /nfs/dbraw/zinc/46/85/92/814468592.db2.gz YRTLBTZFBUPLEQ-UHFFFAOYSA-N 2 1 261.341 -0.226 20 0 CBADMP Cn1nncc1C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997031 815605655 /nfs/dbraw/zinc/60/56/55/815605655.db2.gz BRRKHPAFMGTELW-UHFFFAOYSA-N 2 1 294.403 -0.105 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159992836 815605907 /nfs/dbraw/zinc/60/59/07/815605907.db2.gz QKVMBSGTNDIAJN-UHFFFAOYSA-N 2 1 270.377 -0.687 20 0 CBADMP COC[C@H](O)C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997569 815605936 /nfs/dbraw/zinc/60/59/36/815605936.db2.gz SFFQLEQHFBNMMM-CYBMUJFWSA-N 2 1 287.404 -0.426 20 0 CBADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001159929716 815606757 /nfs/dbraw/zinc/60/67/57/815606757.db2.gz KEXKWAQBGRTAKP-XPABHHOTSA-N 2 1 292.427 -0.311 20 0 CBADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001159929716 815606759 /nfs/dbraw/zinc/60/67/59/815606759.db2.gz KEXKWAQBGRTAKP-XPABHHOTSA-N 2 1 292.427 -0.311 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997347 815606802 /nfs/dbraw/zinc/60/68/02/815606802.db2.gz MZWIEBPAHCAYIL-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP C[N@@H+](CC(=O)NCCC[NH2+]CC(=O)NC1CC1)C1CCC1 ZINC001159997642 815607386 /nfs/dbraw/zinc/60/73/86/815607386.db2.gz WACQRVUZJPXWQN-UHFFFAOYSA-N 2 1 296.415 -0.155 20 0 CBADMP CN1CC[C@H]([NH2+]CCCNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001160003503 815607904 /nfs/dbraw/zinc/60/79/04/815607904.db2.gz RPJRQGAGKPORFS-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP O=C(NCC[NH2+]CCO)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135906028 814535809 /nfs/dbraw/zinc/53/58/09/814535809.db2.gz QFARLOVYVVEYMH-UHFFFAOYSA-N 2 1 275.312 -0.421 20 0 CBADMP CCOC(=O)CN(CC[NH3+])C(=O)C[N@@H+](C)C(C)C ZINC001142590348 814720334 /nfs/dbraw/zinc/72/03/34/814720334.db2.gz VCOMPFUZXXNUOK-UHFFFAOYSA-N 2 1 259.350 -0.323 20 0 CBADMP OC[C@H]1C[NH2+]C[C@H]1Nc1cc[nH+]c(N2CCOCC2)n1 ZINC001159675538 815586104 /nfs/dbraw/zinc/58/61/04/815586104.db2.gz CRXOQGQDNCETSV-GHMZBOCLSA-N 2 1 279.344 -0.695 20 0 CBADMP CN1CC[NH+](CCC(=O)N2CC[N@H+]3CC[C@@H]3C2)CC1 ZINC001143230527 814762854 /nfs/dbraw/zinc/76/28/54/814762854.db2.gz BCNBMFFWTVNUAP-CYBMUJFWSA-N 2 1 266.389 -0.460 20 0 CBADMP C[NH+]1CCN(CCC(=O)N2CC[N@@H+]3CC[C@@H]3C2)CC1 ZINC001143230527 814762855 /nfs/dbraw/zinc/76/28/55/814762855.db2.gz BCNBMFFWTVNUAP-CYBMUJFWSA-N 2 1 266.389 -0.460 20 0 CBADMP C[NH+]1CCN(CCC(=O)N2CC[N@H+]3CC[C@@H]3C2)CC1 ZINC001143230527 814762857 /nfs/dbraw/zinc/76/28/57/814762857.db2.gz BCNBMFFWTVNUAP-CYBMUJFWSA-N 2 1 266.389 -0.460 20 0 CBADMP CN(CC(=O)N1C[C@H]2CCC[N@@H+](C)[C@H]2C1)C(N)=[NH2+] ZINC001144136932 814773350 /nfs/dbraw/zinc/77/33/50/814773350.db2.gz MRIQUGULJVDFGD-ZJUUUORDSA-N 2 1 253.350 -0.636 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146595038 814841388 /nfs/dbraw/zinc/84/13/88/814841388.db2.gz WORPSIKWQBGMCP-RYUDHWBXSA-N 2 1 286.420 -0.055 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001146705748 814844083 /nfs/dbraw/zinc/84/40/83/814844083.db2.gz SVNYERZEKNYGRT-UHFFFAOYSA-N 2 1 268.365 -0.339 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001146705748 814844088 /nfs/dbraw/zinc/84/40/88/814844088.db2.gz SVNYERZEKNYGRT-UHFFFAOYSA-N 2 1 268.365 -0.339 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001146718609 814844721 /nfs/dbraw/zinc/84/47/21/814844721.db2.gz DTIVASQBOFMIOH-UHFFFAOYSA-N 2 1 294.399 -0.067 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001146718913 814844974 /nfs/dbraw/zinc/84/49/74/814844974.db2.gz LAQFPBPRZWEEPL-UHFFFAOYSA-N 2 1 286.420 -0.051 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001146711868 814845008 /nfs/dbraw/zinc/84/50/08/814845008.db2.gz YEWHNAORNRFYFG-SNVBAGLBSA-N 2 1 258.366 -0.832 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001146718827 814845288 /nfs/dbraw/zinc/84/52/88/814845288.db2.gz GUKVEKDEXUFWNJ-UHFFFAOYSA-N 2 1 267.377 -0.032 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001146719228 814845943 /nfs/dbraw/zinc/84/59/43/814845943.db2.gz LVWTZGLKWBEEOA-UHFFFAOYSA-N 2 1 295.391 -0.444 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001146719228 814845947 /nfs/dbraw/zinc/84/59/47/814845947.db2.gz LVWTZGLKWBEEOA-UHFFFAOYSA-N 2 1 295.391 -0.444 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001146747263 814846640 /nfs/dbraw/zinc/84/66/40/814846640.db2.gz SRDDYBNSUXLADC-CYBMUJFWSA-N 2 1 297.403 -0.708 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC2=CC[NH+](CCO)CC2)C1 ZINC001159725074 815590230 /nfs/dbraw/zinc/59/02/30/815590230.db2.gz CIGNFYMLQBDUGJ-AWEZNQCLSA-N 2 1 297.399 -0.552 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCCC2=CC[N@H+](CCO)CC2)C1 ZINC001159725074 815590237 /nfs/dbraw/zinc/59/02/37/815590237.db2.gz CIGNFYMLQBDUGJ-AWEZNQCLSA-N 2 1 297.399 -0.552 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCCC2=CC[N@@H+](CCO)CC2)C1 ZINC001159725074 815590245 /nfs/dbraw/zinc/59/02/45/815590245.db2.gz CIGNFYMLQBDUGJ-AWEZNQCLSA-N 2 1 297.399 -0.552 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CCN(CC(N)=O)C2 ZINC001147835402 814917899 /nfs/dbraw/zinc/91/78/99/814917899.db2.gz GLNMMBAQDHHRTO-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001147835402 814917904 /nfs/dbraw/zinc/91/79/04/814917904.db2.gz GLNMMBAQDHHRTO-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001147835402 814917907 /nfs/dbraw/zinc/91/79/07/814917907.db2.gz GLNMMBAQDHHRTO-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001147835402 814917912 /nfs/dbraw/zinc/91/79/12/814917912.db2.gz GLNMMBAQDHHRTO-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC2=CC[NH+](CCO)CC2)C1 ZINC001159725074 815590226 /nfs/dbraw/zinc/59/02/26/815590226.db2.gz CIGNFYMLQBDUGJ-AWEZNQCLSA-N 2 1 297.399 -0.552 20 0 CBADMP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1ccon1 ZINC001147842107 814919524 /nfs/dbraw/zinc/91/95/24/814919524.db2.gz NBCYIVUGVWJKHU-UHFFFAOYSA-N 2 1 270.333 -0.541 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)COCC[NH+](C)C)n1 ZINC001147841271 814919575 /nfs/dbraw/zinc/91/95/75/814919575.db2.gz BZHICMIMQIQHAG-UHFFFAOYSA-N 2 1 283.376 -0.796 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)c1nncn1C ZINC001147848576 814920561 /nfs/dbraw/zinc/92/05/61/814920561.db2.gz PZGMZORCRHHMMB-NSHDSACASA-N 2 1 298.391 -0.840 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001147877037 814920851 /nfs/dbraw/zinc/92/08/51/814920851.db2.gz CXZCFUXOAOWPMV-LLVKDONJSA-N 2 1 291.417 -0.921 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877152 814921982 /nfs/dbraw/zinc/92/19/82/814921982.db2.gz DJKQBXKYMWPUPY-GFCCVEGCSA-N 2 1 284.404 -0.441 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001147878417 814922061 /nfs/dbraw/zinc/92/20/61/814922061.db2.gz YHENBTKZQLCHGG-GFCCVEGCSA-N 2 1 282.388 -0.734 20 0 CBADMP CN1CCC[C@@H]([NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001147884254 814922199 /nfs/dbraw/zinc/92/21/99/814922199.db2.gz CJTBARSMYXUARX-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCCCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878109 814922961 /nfs/dbraw/zinc/92/29/61/814922961.db2.gz SACDTHULBIAPDU-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147886368 814923775 /nfs/dbraw/zinc/92/37/75/814923775.db2.gz VKAIJXOEBOXIJZ-QWRGUYRKSA-N 2 1 270.377 -0.832 20 0 CBADMP CC[C@@]([NH3+])(CO)Nc1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001159744030 815592336 /nfs/dbraw/zinc/59/23/36/815592336.db2.gz MWGVMALFURIJQH-AWEZNQCLSA-N 2 1 293.371 -0.404 20 0 CBADMP CC[C@H](C(=O)NCCC1=CC[N@H+](CC(N)=O)CC1)[NH+](C)C ZINC001160474041 815626162 /nfs/dbraw/zinc/62/61/62/815626162.db2.gz XLFOTGTVRPZASC-CYBMUJFWSA-N 2 1 296.415 -0.050 20 0 CBADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CC(N)=O)CC1)[NH+](C)C ZINC001160474041 815626173 /nfs/dbraw/zinc/62/61/73/815626173.db2.gz XLFOTGTVRPZASC-CYBMUJFWSA-N 2 1 296.415 -0.050 20 0 CBADMP [NH3+]C[C@@]1(Nc2cc(C3C[NH2+]C3)ncn2)C[NH+]2CCC1CC2 ZINC001160516802 815633369 /nfs/dbraw/zinc/63/33/69/815633369.db2.gz JYADUACXJZEEBF-OAHLLOKOSA-N 3 1 288.399 -0.002 20 0 CBADMP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1COC[NH2+]1 ZINC001160538674 815634718 /nfs/dbraw/zinc/63/47/18/815634718.db2.gz JUHHUWNSVFKMJZ-WPRPVWTQSA-N 2 1 263.301 -0.627 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)C[C@H](O)C[NH3+])CC2)c1 ZINC001160601727 815643894 /nfs/dbraw/zinc/64/38/94/815643894.db2.gz BCRSQGYIRVAFCZ-LBPRGKRZSA-N 2 1 278.356 -0.252 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)[C@H]3[NH2+]CC[C@H]3O)CC2)c1 ZINC001160606645 815645122 /nfs/dbraw/zinc/64/51/22/815645122.db2.gz ZUPSEGGJEYBCLC-OCCSQVGLSA-N 2 1 290.367 -0.239 20 0 CBADMP NC[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001160656611 815652787 /nfs/dbraw/zinc/65/27/87/815652787.db2.gz ZIGJSHYKIVAART-FRRDWIJNSA-N 2 1 278.356 -0.821 20 0 CBADMP C[C@@H]([NH3+])c1ncc(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)s1 ZINC001160655801 815653323 /nfs/dbraw/zinc/65/33/23/815653323.db2.gz OYHJUNADVRSBBB-BWZBUEFSSA-N 2 1 270.358 -0.303 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCCC1 ZINC001160687805 815656884 /nfs/dbraw/zinc/65/68/84/815656884.db2.gz JBAYTZXOAJTGKS-NSHDSACASA-N 2 1 257.334 -0.569 20 0 CBADMP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001160695104 815659341 /nfs/dbraw/zinc/65/93/41/815659341.db2.gz ILVLCHRSSJSJTF-BYNQJWBRSA-N 2 1 266.389 -0.334 20 0 CBADMP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001160698661 815660652 /nfs/dbraw/zinc/66/06/52/815660652.db2.gz OHYPEDMBOBOSIE-OCCSQVGLSA-N 2 1 297.447 -0.805 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@H]2C1 ZINC001160703838 815660784 /nfs/dbraw/zinc/66/07/84/815660784.db2.gz FTDMUUYEAJUKIT-XQQFMLRXSA-N 3 1 268.405 -0.147 20 0 CBADMP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001160698660 815660830 /nfs/dbraw/zinc/66/08/30/815660830.db2.gz OHYPEDMBOBOSIE-JSGCOSHPSA-N 2 1 297.447 -0.805 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160778773 815670036 /nfs/dbraw/zinc/67/00/36/815670036.db2.gz DCQJPNSVOJEOJO-YCPHGPKFSA-N 3 1 288.395 -0.338 20 0 CBADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001160819232 815673328 /nfs/dbraw/zinc/67/33/28/815673328.db2.gz ACFZKABAKWVXAO-VLEAKVRGSA-N 2 1 269.345 -0.537 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CCN(c2[nH+]cccc2N)CC1 ZINC001160826354 815674216 /nfs/dbraw/zinc/67/42/16/815674216.db2.gz WUTWEJFZIQGQDO-JTQLQIEISA-N 2 1 263.345 -0.093 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(n2cccn2)CC1 ZINC001160846400 815677253 /nfs/dbraw/zinc/67/72/53/815677253.db2.gz QORYNPZILBNWKG-NSHDSACASA-N 2 1 251.334 -0.277 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCOC2)O1 ZINC001160857334 815680285 /nfs/dbraw/zinc/68/02/85/815680285.db2.gz FLBLHDGAYIWLOC-HZSPNIEDSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCOC2)O1 ZINC001160857334 815680291 /nfs/dbraw/zinc/68/02/91/815680291.db2.gz FLBLHDGAYIWLOC-HZSPNIEDSA-N 2 1 299.415 -0.162 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160862573 815682498 /nfs/dbraw/zinc/68/24/98/815682498.db2.gz RFAYXJBZKNDUDA-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160862571 815682866 /nfs/dbraw/zinc/68/28/66/815682866.db2.gz RFAYXJBZKNDUDA-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP CCOC(=O)[C@H]1[C@@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@@H]21 ZINC001160880336 815683486 /nfs/dbraw/zinc/68/34/86/815683486.db2.gz WZKCGAFFYWCMJJ-IMRBUKKESA-N 2 1 295.383 -0.405 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967015 815691296 /nfs/dbraw/zinc/69/12/96/815691296.db2.gz IJMCDPJEEFLYFT-APPZFPTMSA-N 2 1 273.287 -0.526 20 0 CBADMP [NH3+][C@@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC(F)(F)C1 ZINC001160968688 815693300 /nfs/dbraw/zinc/69/33/00/815693300.db2.gz UVSGMMVMSGGHAW-VIFPVBQESA-N 3 1 276.331 -0.477 20 0 CBADMP [NH3+]Cc1ncc(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)s1 ZINC001161008008 815694622 /nfs/dbraw/zinc/69/46/22/815694622.db2.gz MXJDCRLDHPEYNB-SNVBAGLBSA-N 2 1 296.396 -0.069 20 0 CBADMP Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161033837 815702140 /nfs/dbraw/zinc/70/21/40/815702140.db2.gz ZZDKNUCNCPGPII-LLVKDONJSA-N 2 1 295.391 -0.710 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@]2(N)CC[NH2+]C2)C1 ZINC001161050055 815702764 /nfs/dbraw/zinc/70/27/64/815702764.db2.gz KIONQWBNVPHWEZ-DGCLKSJQSA-N 2 1 254.378 -0.382 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001161041077 815702969 /nfs/dbraw/zinc/70/29/69/815702969.db2.gz FJDKEZZDDGYIOU-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161043162 815703335 /nfs/dbraw/zinc/70/33/35/815703335.db2.gz YOCZKJODTXCIKE-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001161050139 815703378 /nfs/dbraw/zinc/70/33/78/815703378.db2.gz LVFRXIBHBZTVHL-XDQVBPFNSA-N 2 1 280.416 -0.123 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)C1 ZINC001161050808 815705021 /nfs/dbraw/zinc/70/50/21/815705021.db2.gz POUBEOBEEORIAW-SRVKXCTJSA-N 2 1 255.362 -0.350 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161057583 815705269 /nfs/dbraw/zinc/70/52/69/815705269.db2.gz BIQWNTFWDNDYNT-GARJFASQSA-N 2 1 271.361 -0.005 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCO ZINC001161052187 815705300 /nfs/dbraw/zinc/70/53/00/815705300.db2.gz IRLPSYRONBXGAJ-GFCCVEGCSA-N 2 1 257.378 -0.051 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)C(C)C)C1 ZINC001161051392 815705538 /nfs/dbraw/zinc/70/55/38/815705538.db2.gz UWNJIYHRVYCIFZ-RYUDHWBXSA-N 2 1 271.361 -0.182 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2[NH2+]CC[C@H]2O)C1 ZINC001161050809 815705562 /nfs/dbraw/zinc/70/55/62/815705562.db2.gz POUBEOBEEORIAW-TUAOUCFPSA-N 2 1 255.362 -0.350 20 0 CBADMP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001161052921 815705997 /nfs/dbraw/zinc/70/59/97/815705997.db2.gz PFTIFLQRUNCOKZ-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@@H]21 ZINC001161081222 815708728 /nfs/dbraw/zinc/70/87/28/815708728.db2.gz HNKNBYPAOQJPMN-HGTKMLMNSA-N 3 1 292.427 -0.262 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)CNC3CC[NH2+]CC3)C[C@H]21 ZINC001161081240 815709654 /nfs/dbraw/zinc/70/96/54/815709654.db2.gz HYRSRIUNPUSBMU-GXTWGEPZSA-N 2 1 280.416 -0.119 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]21 ZINC001161081139 815709770 /nfs/dbraw/zinc/70/97/70/815709770.db2.gz FVQMJSDBJACPQN-AGIUHOORSA-N 3 1 268.405 -0.005 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@@H]21 ZINC001161081026 815709796 /nfs/dbraw/zinc/70/97/96/815709796.db2.gz CJYBHJABNMPZCX-BJDJZHNGSA-N 2 1 252.362 -0.914 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C[C@@H]21 ZINC001161081418 815710132 /nfs/dbraw/zinc/71/01/32/815710132.db2.gz JOIWSQSUSRNVCF-WISYIIOYSA-N 2 1 253.346 -0.881 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@H]21 ZINC001161081088 815710181 /nfs/dbraw/zinc/71/01/81/815710181.db2.gz DOKHGLARICGYSR-WISYIIOYSA-N 2 1 252.362 -0.772 20 0 CBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@H]21 ZINC001161081088 815710185 /nfs/dbraw/zinc/71/01/85/815710185.db2.gz DOKHGLARICGYSR-WISYIIOYSA-N 2 1 252.362 -0.772 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@H]21 ZINC001161081088 815710190 /nfs/dbraw/zinc/71/01/90/815710190.db2.gz DOKHGLARICGYSR-WISYIIOYSA-N 2 1 252.362 -0.772 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)C[C@@H]21 ZINC001161081631 815710325 /nfs/dbraw/zinc/71/03/25/815710325.db2.gz LDKYGKXGRXBHBC-HZSPNIEDSA-N 3 1 280.416 -0.134 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@H]21 ZINC001161081143 815710370 /nfs/dbraw/zinc/71/03/70/815710370.db2.gz FWIPDHPDIRJVLP-CHWSQXEVSA-N 2 1 266.389 -0.556 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@H]21 ZINC001161082917 815711935 /nfs/dbraw/zinc/71/19/35/815711935.db2.gz QPUSVXYMHWUMBZ-SDDRHHMPSA-N 2 1 252.362 -0.900 20 0 CBADMP CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]([NH3+])CC[NH3+])C1 ZINC001161130581 815718299 /nfs/dbraw/zinc/71/82/99/815718299.db2.gz MARIGOHSQXHQDW-MNOVXSKESA-N 2 1 256.350 -0.868 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@]3(N)CCC[NH2+]C3)C[C@H]2C1 ZINC001161174712 815724201 /nfs/dbraw/zinc/72/42/01/815724201.db2.gz CZYZAPYCYLWJDS-GUTXKFCHSA-N 2 1 280.416 -0.133 20 0 CBADMP 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 815724250 /nfs/dbraw/zinc/72/42/50/815724250.db2.gz KQRLZLCSCIWZRL-SBJFKYEJSA-N 2 1 292.427 -0.264 20 0 CBADMP CC(C)(O)CC[NH+]1CCN(C(=O)C2(N)CC[NH2+]CC2)CC1 ZINC001161174725 815724977 /nfs/dbraw/zinc/72/49/77/815724977.db2.gz DEABOTKFUBSPSG-UHFFFAOYSA-N 2 1 298.431 -0.628 20 0 CBADMP C[N@H+]1C[C@@H](C(=O)N2CCC(O)CC2)OC2(CC[NH2+]CC2)C1 ZINC001161178449 815726255 /nfs/dbraw/zinc/72/62/55/815726255.db2.gz PPTUMDXBUMDZBP-ZDUSSCGKSA-N 2 1 297.399 -0.578 20 0 CBADMP CC(C)(O)CC[NH+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001161176961 815726501 /nfs/dbraw/zinc/72/65/01/815726501.db2.gz YBVQXROOWIVSLM-RYUDHWBXSA-N 2 1 285.388 -0.986 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001161226578 815730081 /nfs/dbraw/zinc/73/00/81/815730081.db2.gz JMOFQSWVKQAMBI-SNVBAGLBSA-N 2 1 272.393 -0.314 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161239485 815733945 /nfs/dbraw/zinc/73/39/45/815733945.db2.gz MOXKJOQQQOSNDZ-GZMMTYOYSA-N 2 1 261.297 -0.834 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161239486 815734182 /nfs/dbraw/zinc/73/41/82/815734182.db2.gz MOXKJOQQQOSNDZ-KWQFWETISA-N 2 1 261.297 -0.834 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC[C@H](Oc2ncccn2)C1 ZINC001161295293 815737166 /nfs/dbraw/zinc/73/71/66/815737166.db2.gz IAQKJGTWTXRTMP-QWRGUYRKSA-N 2 1 279.344 -0.478 20 0 CBADMP CC(C)N(C(=O)C[NH2+]C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001161351203 815745531 /nfs/dbraw/zinc/74/55/31/815745531.db2.gz GXNYUPYACDMZLZ-ZDUSSCGKSA-N 3 1 268.405 -0.073 20 0 CBADMP N[C@@]1(C(=O)N2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)CCC[NH2+]C1 ZINC001161378240 815748263 /nfs/dbraw/zinc/74/82/63/815748263.db2.gz KXMLBCBSZADGNG-HIFRSBDPSA-N 3 1 295.431 -0.909 20 0 CBADMP O=C([C@@H]1COC[NH2+]1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161381177 815749136 /nfs/dbraw/zinc/74/91/36/815749136.db2.gz OJEXJNXGDSTSPK-RYUDHWBXSA-N 2 1 269.345 -0.745 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161390405 815749895 /nfs/dbraw/zinc/74/98/95/815749895.db2.gz XWMBZFNJZGYJJK-OLZOCXBDSA-N 2 1 283.372 -0.702 20 0 CBADMP COc1cc(O[C@H]2CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2)ccn1 ZINC001161393340 815750489 /nfs/dbraw/zinc/75/04/89/815750489.db2.gz FSWSQVGSINBHOV-RYUDHWBXSA-N 2 1 294.355 -0.254 20 0 CBADMP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CC[N@H+]2CC[C@H]2C1 ZINC001161424063 815753683 /nfs/dbraw/zinc/75/36/83/815753683.db2.gz XTQGALGCUVHSDF-KFWWJZLASA-N 2 1 292.427 -0.023 20 0 CBADMP [NH3+][C@H](C(=O)N1CC[N@H+]2CC[C@H]2C1)C1CCC(O)CC1 ZINC001161423988 815753831 /nfs/dbraw/zinc/75/38/31/815753831.db2.gz VIRFINYSWQDXGF-MVKMKZAISA-N 2 1 267.373 -0.219 20 0 CBADMP [NH3+][C@H](C(=O)N1CC[N@H+]2CC[C@@H]2C1)C1CCC(O)CC1 ZINC001161423987 815753994 /nfs/dbraw/zinc/75/39/94/815753994.db2.gz VIRFINYSWQDXGF-KPFVRQRISA-N 2 1 267.373 -0.219 20 0 CBADMP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[N@H+]2CC[C@H]2C1 ZINC001161422078 815754227 /nfs/dbraw/zinc/75/42/27/815754227.db2.gz ZFRYWAIUGHNZNN-STQMWFEESA-N 3 1 278.400 -0.223 20 0 CBADMP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN2CC[C@H]2C1 ZINC001161422078 815754231 /nfs/dbraw/zinc/75/42/31/815754231.db2.gz ZFRYWAIUGHNZNN-STQMWFEESA-N 2 1 278.400 -0.223 20 0 CBADMP C[NH+](C)CCN(C(=O)C[C@H]1COCCN1)[C@@H]1CCC[NH2+]C1 ZINC001161448463 815756247 /nfs/dbraw/zinc/75/62/47/815756247.db2.gz CIBGVKQOSUYEDH-UONOGXRCSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001161489970 815761750 /nfs/dbraw/zinc/76/17/50/815761750.db2.gz SMZYQDBMRHYWFT-WCQYABFASA-N 2 1 265.361 -0.133 20 0 CBADMP C[N@@H+](C1CN(C(=O)C[C@@H]2COCC[NH2+]2)C1)[C@H]1CCOC1 ZINC001161497796 815763702 /nfs/dbraw/zinc/76/37/02/815763702.db2.gz FJXGKIRAUHYDTA-NEPJUHHUSA-N 2 1 283.372 -0.704 20 0 CBADMP O=C(N1CCNC2(CC2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161545007 815770061 /nfs/dbraw/zinc/77/00/61/815770061.db2.gz KTJMLTHPKITAII-BXUZGUMPSA-N 2 1 264.373 -0.850 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550056 815770578 /nfs/dbraw/zinc/77/05/78/815770578.db2.gz AVRDNNUHEBFQCO-NSHDSACASA-N 2 1 252.362 -0.803 20 0 CBADMP C[C@H](O)C[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161552696 815771026 /nfs/dbraw/zinc/77/10/26/815771026.db2.gz SKTFPTUPJYDXDH-JTQLQIEISA-N 2 1 284.360 -0.174 20 0 CBADMP [NH3+]C1CC[NH+](CCNc2cc3c(nn2)CC[NH2+]C3)CC1 ZINC001161871201 815792769 /nfs/dbraw/zinc/79/27/69/815792769.db2.gz WJNQTAWJCBVCDO-UHFFFAOYSA-N 3 1 276.388 -0.043 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]CC(=O)NC(C)C ZINC001162628014 815836438 /nfs/dbraw/zinc/83/64/38/815836438.db2.gz QCSGJDKNOUCYKZ-UHFFFAOYSA-N 2 1 295.387 -0.188 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001162611760 815837744 /nfs/dbraw/zinc/83/77/44/815837744.db2.gz NWRNSNRWYGCDPM-UHFFFAOYSA-N 2 1 291.359 -0.421 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001162605343 815837927 /nfs/dbraw/zinc/83/79/27/815837927.db2.gz ACWIWVSGTMFINZ-LLVKDONJSA-N 2 1 279.344 -0.824 20 0 CBADMP O=C(NCCC[NH2+]CCF)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162871999 815847163 /nfs/dbraw/zinc/84/71/63/815847163.db2.gz CNPHQNOTCIQEII-LXVYMNJGSA-N 2 1 285.363 -0.085 20 0 CBADMP C[NH+]1CCN(c2ncc(N[C@@H]3COC[C@@H]3[NH3+])cn2)CC1 ZINC001162921276 815848606 /nfs/dbraw/zinc/84/86/06/815848606.db2.gz SQVFMICVOTWNEG-NWDGAFQWSA-N 2 1 278.360 -0.634 20 0 CBADMP C/C=C(\NC=[NH2+])NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001163110698 815859699 /nfs/dbraw/zinc/85/96/99/815859699.db2.gz DKISGAXOZDWODH-FUQNDXKWSA-N 2 1 276.344 -0.116 20 0 CBADMP Cc1[nH+]ccn1-c1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)ncn1 ZINC001163234938 815867020 /nfs/dbraw/zinc/86/70/20/815867020.db2.gz CLLAZJNAYYOSNC-YGRLFVJLSA-N 2 1 299.338 -0.039 20 0 CBADMP C[NH2+]CCN(C)c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001163720950 815897491 /nfs/dbraw/zinc/89/74/91/815897491.db2.gz PXVYOEMWKWAIOV-UHFFFAOYSA-N 2 1 292.387 -0.428 20 0 CBADMP C[C@@H](CC[NH+](C)C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001296072501 816599599 /nfs/dbraw/zinc/59/95/99/816599599.db2.gz JRVXNYBJZKEEKC-WCQYABFASA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](CC[NH+](C)C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001296072500 816600088 /nfs/dbraw/zinc/60/00/88/816600088.db2.gz JRVXNYBJZKEEKC-DGCLKSJQSA-N 2 1 257.378 -0.243 20 0 CBADMP CN(CCOCC[N@@H+](C)CCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001316767625 816879947 /nfs/dbraw/zinc/87/99/47/816879947.db2.gz UAPUGZGKIVAJOP-CYBMUJFWSA-N 2 1 287.404 -0.663 20 0 CBADMP CN(CCOCC[NH+](C)CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001316767625 816879954 /nfs/dbraw/zinc/87/99/54/816879954.db2.gz UAPUGZGKIVAJOP-CYBMUJFWSA-N 2 1 287.404 -0.663 20 0 CBADMP CN(CCOCC[NH+](C)CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001316767625 816879959 /nfs/dbraw/zinc/87/99/59/816879959.db2.gz UAPUGZGKIVAJOP-CYBMUJFWSA-N 2 1 287.404 -0.663 20 0 CBADMP CC[C@H](C(=O)NCCC[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001316834414 816886998 /nfs/dbraw/zinc/88/69/98/816886998.db2.gz JDJZRBRXPNWREQ-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)Cn1ccnc1C ZINC001316866154 816894712 /nfs/dbraw/zinc/89/47/12/816894712.db2.gz XKSRIRZCZNMRCP-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1C ZINC001316866154 816894727 /nfs/dbraw/zinc/89/47/27/816894727.db2.gz XKSRIRZCZNMRCP-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001316865770 816896242 /nfs/dbraw/zinc/89/62/42/816896242.db2.gz SCKDEUYKZAZYRS-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](O)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001316865770 816896246 /nfs/dbraw/zinc/89/62/46/816896246.db2.gz SCKDEUYKZAZYRS-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](O)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001316865770 816896252 /nfs/dbraw/zinc/89/62/52/816896252.db2.gz SCKDEUYKZAZYRS-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CCCO)C2CC2)C1 ZINC001317035199 816923205 /nfs/dbraw/zinc/92/32/05/816923205.db2.gz RCINENMNUWOTQH-KBPBESRZSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CCCO)C2CC2)C1 ZINC001317035199 816923209 /nfs/dbraw/zinc/92/32/09/816923209.db2.gz RCINENMNUWOTQH-KBPBESRZSA-N 2 1 299.415 -0.426 20 0 CBADMP CCCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317290114 816959496 /nfs/dbraw/zinc/95/94/96/816959496.db2.gz ONZABFQCPICTFY-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CCOCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001317390977 816970588 /nfs/dbraw/zinc/97/05/88/816970588.db2.gz PLBCMWWHFFLDPU-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001317390977 816970593 /nfs/dbraw/zinc/97/05/93/816970593.db2.gz PLBCMWWHFFLDPU-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001317451243 816983106 /nfs/dbraw/zinc/98/31/06/816983106.db2.gz KNJWHDOCMPQFCO-UHFFFAOYSA-N 2 1 255.362 -0.345 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001317458374 816986123 /nfs/dbraw/zinc/98/61/23/816986123.db2.gz CCSDFIGXCXJSMM-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001317458374 816986128 /nfs/dbraw/zinc/98/61/28/816986128.db2.gz CCSDFIGXCXJSMM-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001317461337 816987518 /nfs/dbraw/zinc/98/75/18/816987518.db2.gz LGOONFWSSIIXSH-UWVGGRQHSA-N 2 1 258.366 -0.752 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001317461337 816987521 /nfs/dbraw/zinc/98/75/21/816987521.db2.gz LGOONFWSSIIXSH-UWVGGRQHSA-N 2 1 258.366 -0.752 20 0 CBADMP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001317574588 817016949 /nfs/dbraw/zinc/01/69/49/817016949.db2.gz ZCLUQMMPYBMXHH-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](O)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317652740 817039900 /nfs/dbraw/zinc/03/99/00/817039900.db2.gz CNXSITRJOGDQSV-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)CC[NH2+]CCO)CC2 ZINC001317623529 817032518 /nfs/dbraw/zinc/03/25/18/817032518.db2.gz OHDQLOCVAJXQDK-LBPRGKRZSA-N 2 1 280.372 -0.206 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001318273659 817093071 /nfs/dbraw/zinc/09/30/71/817093071.db2.gz UVYPXRRBXHHESL-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](C[NH2+]CCO)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319461626 817208228 /nfs/dbraw/zinc/20/82/28/817208228.db2.gz UMKCMNKKZOVNGE-IJLUTSLNSA-N 2 1 257.378 -0.245 20 0 CBADMP C[C@@H](C[NH2+]CCO)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001319484697 817208960 /nfs/dbraw/zinc/20/89/60/817208960.db2.gz BDCRODWCNIDTQG-JTQLQIEISA-N 2 1 284.360 -0.221 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCCO)C1 ZINC001319589476 817222595 /nfs/dbraw/zinc/22/25/95/817222595.db2.gz JUCAEEFCTUVXGR-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCCO)C1 ZINC001319589476 817222602 /nfs/dbraw/zinc/22/26/02/817222602.db2.gz JUCAEEFCTUVXGR-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP O=C(NCC[NH+]1CC=CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC001319715417 817235827 /nfs/dbraw/zinc/23/58/27/817235827.db2.gz RTZAQJIQFPTKEB-CYBMUJFWSA-N 2 1 264.373 -0.636 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC2CCC2)C1 ZINC001320311568 817320227 /nfs/dbraw/zinc/32/02/27/817320227.db2.gz FCWKBMTWJGPLMW-CHWSQXEVSA-N 2 1 269.389 -0.195 20 0 CBADMP CCN(CC[NH2+]CCCO)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001320921595 817411430 /nfs/dbraw/zinc/41/14/30/817411430.db2.gz PGZGOYKDHBJFFS-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CCN(CC[NH2+]CCCO)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001320921595 817411432 /nfs/dbraw/zinc/41/14/32/817411432.db2.gz PGZGOYKDHBJFFS-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP COCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001320998066 817425962 /nfs/dbraw/zinc/42/59/62/817425962.db2.gz MRMJIJANQIIPID-AAOUONPWSA-N 2 1 255.362 -0.011 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001321066359 817437632 /nfs/dbraw/zinc/43/76/32/817437632.db2.gz GVQDQXZIZMECNM-AGFGORMFSA-N 2 1 296.415 -0.275 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\C[NH2+]CC(=O)N(C)C)C1 ZINC001321251097 817469046 /nfs/dbraw/zinc/46/90/46/817469046.db2.gz QPNFNXRKWQTELG-DSYXLKISSA-N 2 1 296.415 -0.322 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001321395537 817494503 /nfs/dbraw/zinc/49/45/03/817494503.db2.gz RDGGGAHNWAQCMU-UHFFFAOYSA-N 2 1 293.371 -0.482 20 0 CBADMP CC[NH+](CC)C[C@H](O)CNCC[N@H+]1CC[C@@H](O)C1 ZINC001253208902 825905524 /nfs/dbraw/zinc/90/55/24/825905524.db2.gz UTMGTIMVQNXHEN-CHWSQXEVSA-N 2 1 259.394 -0.655 20 0 CBADMP CN(C[C@@H](O)C[NH2+]CCF)C(=O)[C@H]1CCC[N@H+]1C ZINC001278737764 828278992 /nfs/dbraw/zinc/27/89/92/828278992.db2.gz UHVVTHJGFGJRLU-WDEREUQCSA-N 2 1 261.341 -0.541 20 0 CBADMP COC(=O)[C@@H]([NH3+])Cc1ccc(N(CC[NH3+])CCO)cc1 ZINC001163832980 819855562 /nfs/dbraw/zinc/85/55/62/819855562.db2.gz ZVBHPJNZLKUJFY-ZDUSSCGKSA-N 2 1 281.356 -0.513 20 0 CBADMP CCNC(=O)CN(C)c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001163914440 819864409 /nfs/dbraw/zinc/86/44/09/819864409.db2.gz ZHKOEQLXQHMWLW-UHFFFAOYSA-N 2 1 292.387 -0.024 20 0 CBADMP O=S1(=O)C=C[C@H](Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC001164008599 819879509 /nfs/dbraw/zinc/87/95/09/819879509.db2.gz TZMUVMBVEDKOMR-JTQLQIEISA-N 2 1 295.368 -0.391 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)CC[N@H+]1C ZINC001164574763 819931691 /nfs/dbraw/zinc/93/16/91/819931691.db2.gz ZFOOKNLWYJCKGA-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@H+](Cc1ccc(N2CC[NH2+][C@H](C(N)=O)C2)nc1)C1CC1 ZINC001165071163 819935886 /nfs/dbraw/zinc/93/58/86/819935886.db2.gz DSZKDBOEMURWMS-ZDUSSCGKSA-N 2 1 289.383 -0.061 20 0 CBADMP C[N@@H+](Cc1ccc(N2CC[NH2+][C@H](C(N)=O)C2)nc1)C1CC1 ZINC001165071163 819935894 /nfs/dbraw/zinc/93/58/94/819935894.db2.gz DSZKDBOEMURWMS-ZDUSSCGKSA-N 2 1 289.383 -0.061 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1ncnn1C ZINC001166633628 820009835 /nfs/dbraw/zinc/00/98/35/820009835.db2.gz IWZIRPHGWYAHBP-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001166627139 820010315 /nfs/dbraw/zinc/01/03/15/820010315.db2.gz QUCWUIWDEGIGNQ-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001166627137 820010348 /nfs/dbraw/zinc/01/03/48/820010348.db2.gz QUCWUIWDEGIGNQ-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC(=O)N(C)C)C1 ZINC001166668252 820012581 /nfs/dbraw/zinc/01/25/81/820012581.db2.gz WVKIGCFPSCRDAB-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001166668248 820012635 /nfs/dbraw/zinc/01/26/35/820012635.db2.gz WUYYAYAWYMBJOT-NWDGAFQWSA-N 2 1 282.388 -0.687 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166668093 820013780 /nfs/dbraw/zinc/01/37/80/820013780.db2.gz QLSAHOUCIYLJLL-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001166668153 820014025 /nfs/dbraw/zinc/01/40/25/820014025.db2.gz SSMMKBBHWYEOAS-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166668361 820014823 /nfs/dbraw/zinc/01/48/23/820014823.db2.gz ZVACTFFROLMDMA-LLVKDONJSA-N 2 1 270.377 -0.830 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2nnnn2C)C1 ZINC001166668098 820014852 /nfs/dbraw/zinc/01/48/52/820014852.db2.gz QNKYBRDEFWKHRS-NSHDSACASA-N 2 1 295.391 -0.852 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166668215 820014922 /nfs/dbraw/zinc/01/49/22/820014922.db2.gz VRWXUOBSYHZPPG-LBPRGKRZSA-N 2 1 284.404 -0.440 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001166690570 820016509 /nfs/dbraw/zinc/01/65/09/820016509.db2.gz DFYQQELNQIGOEW-NEPJUHHUSA-N 2 1 284.404 -0.632 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001166690572 820016669 /nfs/dbraw/zinc/01/66/69/820016669.db2.gz DFYQQELNQIGOEW-RYUDHWBXSA-N 2 1 284.404 -0.632 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001166693484 820017441 /nfs/dbraw/zinc/01/74/41/820017441.db2.gz SPLMQEBUWJCRSZ-OLZOCXBDSA-N 2 1 294.403 -0.428 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nncn1C ZINC001166708102 820019484 /nfs/dbraw/zinc/01/94/84/820019484.db2.gz MCELQZBJRSAYND-NWDGAFQWSA-N 2 1 294.403 -0.391 20 0 CBADMP Cc1nc(N2CC[NH2+][C@@H](C(N)=O)C2)cc(N(C)C)[nH+]1 ZINC001166723480 820021658 /nfs/dbraw/zinc/02/16/58/820021658.db2.gz FJTCDQAYQJURCF-SECBINFHSA-N 2 1 264.333 -0.885 20 0 CBADMP Cn1ccc2c1cc[nH+]c2N1CC[NH2+][C@@H](C(N)=O)C1 ZINC001166723646 820022276 /nfs/dbraw/zinc/02/22/76/820022276.db2.gz HAXGHBAJEZMLLV-SNVBAGLBSA-N 2 1 259.313 -0.163 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166759310 820035397 /nfs/dbraw/zinc/03/53/97/820035397.db2.gz RANISRJIOZZIJT-UHFFFAOYSA-N 2 1 284.404 -0.440 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001166744294 820035818 /nfs/dbraw/zinc/03/58/18/820035818.db2.gz PAVDCXZNGHJVNQ-NSHDSACASA-N 2 1 286.420 -0.066 20 0 CBADMP COC(=O)C1([NH3+])CCN(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC001166794755 820037559 /nfs/dbraw/zinc/03/75/59/820037559.db2.gz JYWVVCWVEQFZKK-UHFFFAOYSA-N 2 1 291.355 -0.407 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001167232429 820075647 /nfs/dbraw/zinc/07/56/47/820075647.db2.gz CEHRPRNEUPSRMM-LBPRGKRZSA-N 2 1 296.415 -0.310 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1ncccc1N1CC[NH2+]CC1 ZINC001167351142 820084470 /nfs/dbraw/zinc/08/44/70/820084470.db2.gz FCEACCNCBGRMLZ-UHFFFAOYSA-N 2 1 285.355 -0.385 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001167736902 820113576 /nfs/dbraw/zinc/11/35/76/820113576.db2.gz LJWIFYVKAUPUMA-GFCCVEGCSA-N 2 1 296.415 -0.310 20 0 CBADMP C[NH+]1CCN(c2nccnc2-n2ccc(CC[NH3+])n2)CC1 ZINC001167729934 820113863 /nfs/dbraw/zinc/11/38/63/820113863.db2.gz WPRZRIRLKWRLAH-UHFFFAOYSA-N 2 1 287.371 -0.085 20 0 CBADMP C[NH+]1CCN(c2ncc(-n3ccc(CC[NH3+])n3)cn2)CC1 ZINC001167730365 820113879 /nfs/dbraw/zinc/11/38/79/820113879.db2.gz HRJFKLUXODCYNF-UHFFFAOYSA-N 2 1 287.371 -0.085 20 0 CBADMP CNC(=O)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168320567 820156997 /nfs/dbraw/zinc/15/69/97/820156997.db2.gz CPUMXVFBTYEPQU-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP COC[C@@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168425760 820161866 /nfs/dbraw/zinc/16/18/66/820161866.db2.gz UHLNOICGLBZOPS-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP CO[C@@H](C)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417308 820162529 /nfs/dbraw/zinc/16/25/29/820162529.db2.gz QLMLVWXHYCGJOG-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP C[C@@H]1CN(c2ccc(-n3cnc(C[NH3+])n3)nn2)CC[NH2+]1 ZINC001168748926 820171543 /nfs/dbraw/zinc/17/15/43/820171543.db2.gz CIBSRVDXRHIAHC-SECBINFHSA-N 2 1 274.332 -0.686 20 0 CBADMP [NH3+]Cc1ncn(-c2ccc(OCC[NH+]3CCCC3)nn2)n1 ZINC001168749635 820171999 /nfs/dbraw/zinc/17/19/99/820171999.db2.gz DEAXOAJOZIBKPG-UHFFFAOYSA-N 2 1 289.343 -0.009 20 0 CBADMP C[C@H]1CN(c2ccc(-n3cnc(C[NH3+])n3)nn2)CC[NH2+]1 ZINC001168748929 820172297 /nfs/dbraw/zinc/17/22/97/820172297.db2.gz CIBSRVDXRHIAHC-VIFPVBQESA-N 2 1 274.332 -0.686 20 0 CBADMP [NH3+]Cc1ncn(-c2cc[nH+]c(N3CCOCC3)c2)n1 ZINC001168753722 820174022 /nfs/dbraw/zinc/17/40/22/820174022.db2.gz JBVSXMDGGYABMO-UHFFFAOYSA-N 2 1 260.301 -0.042 20 0 CBADMP C[C@H]1CN(c2ccc(-n3[nH]c(=O)nc3C[NH3+])nn2)CC[NH2+]1 ZINC001168755870 820176580 /nfs/dbraw/zinc/17/65/80/820176580.db2.gz LBOAFORFYNNUOY-QMMMGPOBSA-N 2 1 290.331 -0.980 20 0 CBADMP [NH3+]Cc1ncn(-c2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)n1 ZINC001168755643 820177228 /nfs/dbraw/zinc/17/72/28/820177228.db2.gz BYAPSLOFKCNOQZ-VIFPVBQESA-N 2 1 284.327 -0.154 20 0 CBADMP C[NH+]1CCN(c2nccnc2-n2cc(CC[NH3+])cn2)CC1 ZINC001168947501 820194786 /nfs/dbraw/zinc/19/47/86/820194786.db2.gz WNVPBSUJENOBMA-UHFFFAOYSA-N 2 1 287.371 -0.085 20 0 CBADMP Cc1nc(CC[NH3+])nn1-c1ncnc2c1C[N@@H+](C)CC2 ZINC001168986385 820199060 /nfs/dbraw/zinc/19/90/60/820199060.db2.gz UMRDFIASLWVBGK-UHFFFAOYSA-N 2 1 273.344 -0.145 20 0 CBADMP CN([C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)S(=O)(=O)CC[NH3+] ZINC001169091860 820207380 /nfs/dbraw/zinc/20/73/80/820207380.db2.gz WKJLHYHXXKBJGU-JGPRNRPPSA-N 2 1 261.391 -0.168 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CC(=O)NC1=O)C2 ZINC001169108053 820208254 /nfs/dbraw/zinc/20/82/54/820208254.db2.gz NNTWQKDBGSEOMR-MMWGEVLESA-N 2 1 251.330 -0.136 20 0 CBADMP CC[NH+]1CCC(NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC)CC1 ZINC001169224666 820214377 /nfs/dbraw/zinc/21/43/77/820214377.db2.gz JMXZZSQTQJJGNJ-LBPRGKRZSA-N 3 1 299.419 -0.135 20 0 CBADMP CC(=O)N1CC[C@@H]([N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)C1 ZINC001169556167 820255320 /nfs/dbraw/zinc/25/53/20/820255320.db2.gz PUOQZSLTNYHXTK-CQSZACIVSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1nncn1C ZINC001170211092 820280594 /nfs/dbraw/zinc/28/05/94/820280594.db2.gz JELGIFWALFKCOM-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001170221967 820282458 /nfs/dbraw/zinc/28/24/58/820282458.db2.gz GECSIIDKQBGYCM-NSHDSACASA-N 2 1 297.407 -0.291 20 0 CBADMP C[NH+]1CCN(c2nccnc2N[C@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001170776602 820318791 /nfs/dbraw/zinc/31/87/91/820318791.db2.gz HEEOQCAMEASSFB-NEPJUHHUSA-N 2 1 292.387 -0.779 20 0 CBADMP Cc1[nH+]ccn1-c1cncc(N[C@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001170780729 820323111 /nfs/dbraw/zinc/32/31/11/820323111.db2.gz UVPQWBDTAIYIQO-MNOVXSKESA-N 2 1 274.328 -0.037 20 0 CBADMP CC[C@]([NH3+])(CO)Nc1nccc(N2CC[NH2+]CC2)n1 ZINC001170855008 820327902 /nfs/dbraw/zinc/32/79/02/820327902.db2.gz NFHGKNFYWTWBLJ-GFCCVEGCSA-N 2 1 266.349 -0.645 20 0 CBADMP CS(=O)(=O)c1ccc(N[C@H]([NH3+])CCC[NH3+])nn1 ZINC001170895374 820333942 /nfs/dbraw/zinc/33/39/42/820333942.db2.gz RYJUYJUDJBHWTQ-ZETCQYMHSA-N 2 1 259.335 -0.684 20 0 CBADMP N[C@@H](CCC[NH3+])Nc1ccc(OC2C[NH2+]C2)cn1 ZINC001170906862 820335126 /nfs/dbraw/zinc/33/51/26/820335126.db2.gz YIBQGMRGXJNJCY-LLVKDONJSA-N 2 1 251.334 -0.132 20 0 CBADMP Cn1ncnc1C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171219199 820350772 /nfs/dbraw/zinc/35/07/72/820350772.db2.gz VJWPXZMPFHVFOG-GFCCVEGCSA-N 2 1 294.403 -0.247 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CCCO)C1 ZINC001171227597 820350884 /nfs/dbraw/zinc/35/08/84/820350884.db2.gz QDRBYZSFWDNPED-GFCCVEGCSA-N 2 1 257.378 -0.194 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001171217391 820351451 /nfs/dbraw/zinc/35/14/51/820351451.db2.gz LTFYMIIOFZAYBI-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP C[NH+]1C(C)(C)CC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1(C)C ZINC001171630083 820365819 /nfs/dbraw/zinc/36/58/19/820365819.db2.gz HWJDWEHHUJRDSF-RWMBFGLXSA-N 2 1 296.463 -0.370 20 0 CBADMP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C[C@H](O)C[NH3+])CC1=O ZINC001171679324 820368472 /nfs/dbraw/zinc/36/84/72/820368472.db2.gz KCYFEOLJADSDPP-DTWKUNHWSA-N 2 1 273.333 -0.568 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]C[C@H](O)COC ZINC001171725502 820371117 /nfs/dbraw/zinc/37/11/17/820371117.db2.gz NBYNUTZWJDTFNS-ZDUSSCGKSA-N 2 1 289.420 -0.179 20 0 CBADMP O=C1C[C@@H]([NH2+]CCC[NH+](CCO)CCO)CCN1C1CC1 ZINC001171998461 820373263 /nfs/dbraw/zinc/37/32/63/820373263.db2.gz JDOYZMLFHKFUHB-ZDUSSCGKSA-N 2 1 299.415 -0.594 20 0 CBADMP O=C1CC[C@H]2C[C@H]([NH2+]CCC[NH+](CCO)CCO)CCN12 ZINC001172146478 820384455 /nfs/dbraw/zinc/38/44/55/820384455.db2.gz LVTHLZOKGPJHGK-KGLIPLIRSA-N 2 1 299.415 -0.594 20 0 CBADMP OCC[NH+](CCO)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218411 820390031 /nfs/dbraw/zinc/39/00/31/820390031.db2.gz UIFFMUHYTDAFFW-AGUYFDCRSA-N 2 1 272.389 -0.037 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1COC(C)(C)C1 ZINC001172271668 820393773 /nfs/dbraw/zinc/39/37/73/820393773.db2.gz ORGFLGNDQQROGM-ZJUUUORDSA-N 2 1 286.376 -0.052 20 0 CBADMP CCN1CC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001173349935 820400965 /nfs/dbraw/zinc/40/09/65/820400965.db2.gz GHAXZHYTCDSVAC-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[NH+](CC)C1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001173110682 820401319 /nfs/dbraw/zinc/40/13/19/820401319.db2.gz RDQYFOQBCDDHFH-QXRZNBQRSA-N 2 1 296.463 -0.368 20 0 CBADMP Cn1ncnc1C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176071794 820437538 /nfs/dbraw/zinc/43/75/38/820437538.db2.gz HUTHXRBAZDLLLB-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176071520 820438763 /nfs/dbraw/zinc/43/87/63/820438763.db2.gz FNCKGIGUDUWNCS-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]CCO ZINC001176857668 820472360 /nfs/dbraw/zinc/47/23/60/820472360.db2.gz YHJBZYNJIFLLTM-TXEJJXNPSA-N 2 1 257.378 -0.053 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001176974975 820484364 /nfs/dbraw/zinc/48/43/64/820484364.db2.gz FMTHNUHIYQBHFI-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001176974798 820484489 /nfs/dbraw/zinc/48/44/89/820484489.db2.gz AYQCHWOSGKGXCH-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC(N)=O)c1ccccc1 ZINC001177016035 820488296 /nfs/dbraw/zinc/48/82/96/820488296.db2.gz BOMUHUJUJJURRN-AWEZNQCLSA-N 2 1 292.383 -0.130 20 0 CBADMP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC(N)=O)c1ccccc1 ZINC001177016036 820488510 /nfs/dbraw/zinc/48/85/10/820488510.db2.gz BOMUHUJUJJURRN-CQSZACIVSA-N 2 1 292.383 -0.130 20 0 CBADMP C[C@@H](O)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001177086475 820491894 /nfs/dbraw/zinc/49/18/94/820491894.db2.gz HXQORRZSLXHXGQ-LLVKDONJSA-N 2 1 265.361 -0.301 20 0 CBADMP C[C@H](O)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001177086476 820492134 /nfs/dbraw/zinc/49/21/34/820492134.db2.gz HXQORRZSLXHXGQ-NSHDSACASA-N 2 1 265.361 -0.301 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CCNC(=O)CN1CC[NH+](C)CC1 ZINC001178954129 820609717 /nfs/dbraw/zinc/60/97/17/820609717.db2.gz WTFJMWXEACYEGQ-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)CN1CC[NH+](C)CC1 ZINC001178954129 820609721 /nfs/dbraw/zinc/60/97/21/820609721.db2.gz WTFJMWXEACYEGQ-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@]2(C)CCC[N@H+](C)C2)CC1 ZINC001178955778 820610364 /nfs/dbraw/zinc/61/03/64/820610364.db2.gz BAFLQGZVAKWWPH-CQSZACIVSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@]2(C)CCC[N@@H+](C)C2)CC1 ZINC001178955778 820610371 /nfs/dbraw/zinc/61/03/71/820610371.db2.gz BAFLQGZVAKWWPH-CQSZACIVSA-N 2 1 268.405 -0.166 20 0 CBADMP COCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178982535 820612037 /nfs/dbraw/zinc/61/20/37/820612037.db2.gz ODWWXQXYICZROZ-ZOBORPQBSA-N 2 1 299.415 -0.069 20 0 CBADMP COCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178982535 820612043 /nfs/dbraw/zinc/61/20/43/820612043.db2.gz ODWWXQXYICZROZ-ZOBORPQBSA-N 2 1 299.415 -0.069 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001179008748 820615009 /nfs/dbraw/zinc/61/50/09/820615009.db2.gz RBNSJCCMPWMOMM-VXGBXAGGSA-N 2 1 267.373 -0.083 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001179150288 820619318 /nfs/dbraw/zinc/61/93/18/820619318.db2.gz MDCNKLCDPIEHPA-RYUDHWBXSA-N 2 1 293.371 -0.483 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001179303795 820623978 /nfs/dbraw/zinc/62/39/78/820623978.db2.gz NPBIBVLNRDRDQM-ZDEQEGDKSA-N 2 1 296.415 -0.206 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001179303794 820624385 /nfs/dbraw/zinc/62/43/85/820624385.db2.gz NPBIBVLNRDRDQM-MROQNXINSA-N 2 1 296.415 -0.206 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001179534382 820632174 /nfs/dbraw/zinc/63/21/74/820632174.db2.gz JWQBHCFAGGDWSF-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001179856669 820643283 /nfs/dbraw/zinc/64/32/83/820643283.db2.gz GEESQMIWQZQEEB-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179924934 820646036 /nfs/dbraw/zinc/64/60/36/820646036.db2.gz HLYOVVJFRGUPGI-XQQFMLRXSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001180135928 820651716 /nfs/dbraw/zinc/65/17/16/820651716.db2.gz OHQOFGHFKRDJFB-JQWIXIFHSA-N 2 1 293.371 -0.483 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)C1 ZINC001180759783 820717295 /nfs/dbraw/zinc/71/72/95/820717295.db2.gz QTYQAVNSUIWRJK-UONOGXRCSA-N 2 1 297.399 -0.360 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)C1 ZINC001180759783 820717298 /nfs/dbraw/zinc/71/72/98/820717298.db2.gz QTYQAVNSUIWRJK-UONOGXRCSA-N 2 1 297.399 -0.360 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181653339 820806280 /nfs/dbraw/zinc/80/62/80/820806280.db2.gz YGUFRMFLEUBYDW-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001181651228 820806900 /nfs/dbraw/zinc/80/69/00/820806900.db2.gz ABAIZBRPEXSNHV-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP COCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181653321 820807354 /nfs/dbraw/zinc/80/73/54/820807354.db2.gz XSQAHRBLCKLGTP-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001181993750 820846367 /nfs/dbraw/zinc/84/63/67/820846367.db2.gz JSKPKKFQENUPAQ-JTQLQIEISA-N 2 1 277.390 -0.392 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001181993750 820846377 /nfs/dbraw/zinc/84/63/77/820846377.db2.gz JSKPKKFQENUPAQ-JTQLQIEISA-N 2 1 277.390 -0.392 20 0 CBADMP C[NH+]1CCC(O)(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001182034277 820854371 /nfs/dbraw/zinc/85/43/71/820854371.db2.gz TYNZQSWBUOTGBX-NSHDSACASA-N 2 1 255.362 -0.347 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])C(=O)C2(O)CC[NH+](C)CC2)n[nH]1 ZINC001182036617 820858716 /nfs/dbraw/zinc/85/87/16/820858716.db2.gz GIPRSPCTJLEHBV-UHFFFAOYSA-N 2 1 280.332 -0.599 20 0 CBADMP COCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183577038 821006681 /nfs/dbraw/zinc/00/66/81/821006681.db2.gz VLTGXNYAGCWAOT-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP COCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183577038 821006689 /nfs/dbraw/zinc/00/66/89/821006689.db2.gz VLTGXNYAGCWAOT-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001185137039 821100482 /nfs/dbraw/zinc/10/04/82/821100482.db2.gz PSARAPPOQSSDAV-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001185137039 821100487 /nfs/dbraw/zinc/10/04/87/821100487.db2.gz PSARAPPOQSSDAV-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001185258201 821114552 /nfs/dbraw/zinc/11/45/52/821114552.db2.gz QNTIUMLONZDREQ-CHWSQXEVSA-N 2 1 284.404 -0.979 20 0 CBADMP CN1CC[N@H+](C)C[C@H]1C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001185258345 821114667 /nfs/dbraw/zinc/11/46/67/821114667.db2.gz SGRQZNZHLFUGJR-LBPRGKRZSA-N 2 1 290.371 -0.973 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001185258345 821114672 /nfs/dbraw/zinc/11/46/72/821114672.db2.gz SGRQZNZHLFUGJR-LBPRGKRZSA-N 2 1 290.371 -0.973 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N[C@@]1(C)CCC[NH+](C)C1 ZINC001185268594 821121574 /nfs/dbraw/zinc/12/15/74/821121574.db2.gz DTJIODRCVPSIHM-JSGCOSHPSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N[C@@]1(C)CCC[N@H+](C)C1 ZINC001185268594 821121580 /nfs/dbraw/zinc/12/15/80/821121580.db2.gz DTJIODRCVPSIHM-JSGCOSHPSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001185268594 821121587 /nfs/dbraw/zinc/12/15/87/821121587.db2.gz DTJIODRCVPSIHM-JSGCOSHPSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001185659895 821137946 /nfs/dbraw/zinc/13/79/46/821137946.db2.gz SBIIJQIPRNXNOF-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001185660186 821138139 /nfs/dbraw/zinc/13/81/39/821138139.db2.gz ZOECJNRNVMDXOL-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001185659899 821138622 /nfs/dbraw/zinc/13/86/22/821138622.db2.gz SBIIJQIPRNXNOF-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001185659858 821138908 /nfs/dbraw/zinc/13/89/08/821138908.db2.gz QZJIIGRAVXAQQN-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC001186037844 821153154 /nfs/dbraw/zinc/15/31/54/821153154.db2.gz KZDRIOJVJPPTRW-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC(C)([NH+](C)C)C2)C1 ZINC001186105509 821168843 /nfs/dbraw/zinc/16/88/43/821168843.db2.gz DMGWRPJDPXZZPH-NSHDSACASA-N 2 1 283.372 -0.356 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001186457833 821182641 /nfs/dbraw/zinc/18/26/41/821182641.db2.gz CAGWVYJQRUIVAU-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001186807609 821198187 /nfs/dbraw/zinc/19/81/87/821198187.db2.gz BGHVNEDIHGHZCO-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CC[C@H]([NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1)C(N)=O ZINC001186834888 821200335 /nfs/dbraw/zinc/20/03/35/821200335.db2.gz VOTSNEPXYFEPHN-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001280152284 828344540 /nfs/dbraw/zinc/34/45/40/828344540.db2.gz KMUHNORQKIQHNF-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001280151169 828345532 /nfs/dbraw/zinc/34/55/32/828345532.db2.gz GBOITVNLUIAELQ-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP COCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001280666385 828370930 /nfs/dbraw/zinc/37/09/30/828370930.db2.gz FWTDLBHZWYVWPL-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001187322667 822268320 /nfs/dbraw/zinc/26/83/20/822268320.db2.gz RBFQWTWXCCDJTA-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187825495 822297858 /nfs/dbraw/zinc/29/78/58/822297858.db2.gz NQCVJXPBIQRNDI-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001188158904 822323184 /nfs/dbraw/zinc/32/31/84/822323184.db2.gz ZNVNVIKSIBZTIP-GHMZBOCLSA-N 2 1 270.377 -0.609 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CCOCCO ZINC001282363713 828441957 /nfs/dbraw/zinc/44/19/57/828441957.db2.gz DPBWXRLKPRHBCC-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CCOCCO ZINC001282363713 828441961 /nfs/dbraw/zinc/44/19/61/828441961.db2.gz DPBWXRLKPRHBCC-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CCOCCO ZINC001282363713 828441967 /nfs/dbraw/zinc/44/19/67/828441967.db2.gz DPBWXRLKPRHBCC-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@H+](C)CCO ZINC001282431036 828446197 /nfs/dbraw/zinc/44/61/97/828446197.db2.gz HXYAWJLWZAJLCQ-JTQLQIEISA-N 2 1 254.334 -0.380 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@@H+](C)CCO ZINC001282431036 828446201 /nfs/dbraw/zinc/44/62/01/828446201.db2.gz HXYAWJLWZAJLCQ-JTQLQIEISA-N 2 1 254.334 -0.380 20 0 CBADMP CC[C@H](C(=O)NCCNC(=O)Cn1c[nH+]cc1C)[NH+](C)C ZINC001283084998 828495719 /nfs/dbraw/zinc/49/57/19/828495719.db2.gz BLZGXDHPUSVRKB-GFCCVEGCSA-N 2 1 295.387 -0.236 20 0 CBADMP CC[C@@H](C(=O)NCCC[NH+]1CCN(C(C)=O)CC1)[NH+](C)C ZINC001283819827 828553726 /nfs/dbraw/zinc/55/37/26/828553726.db2.gz AOGDDLKLFOVNPM-AWEZNQCLSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001189667106 823770493 /nfs/dbraw/zinc/77/04/93/823770493.db2.gz ATQBGHHUFLXWEZ-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001189667106 823770498 /nfs/dbraw/zinc/77/04/98/823770498.db2.gz ATQBGHHUFLXWEZ-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001189667106 823770502 /nfs/dbraw/zinc/77/05/02/823770502.db2.gz ATQBGHHUFLXWEZ-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001189871026 823782739 /nfs/dbraw/zinc/78/27/39/823782739.db2.gz IETSADZSZCIAQT-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001189871026 823782744 /nfs/dbraw/zinc/78/27/44/823782744.db2.gz IETSADZSZCIAQT-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190653071 823833113 /nfs/dbraw/zinc/83/31/13/823833113.db2.gz BNIHSSDKKNGJPU-TZMCWYRMSA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190653071 823833120 /nfs/dbraw/zinc/83/31/20/823833120.db2.gz BNIHSSDKKNGJPU-TZMCWYRMSA-N 2 1 296.415 -0.395 20 0 CBADMP COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191728483 823917876 /nfs/dbraw/zinc/91/78/76/823917876.db2.gz ZLGGOPJJKIVEHO-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@H](O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191728483 823917879 /nfs/dbraw/zinc/91/78/79/823917879.db2.gz ZLGGOPJJKIVEHO-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@H](O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191728483 823917883 /nfs/dbraw/zinc/91/78/83/823917883.db2.gz ZLGGOPJJKIVEHO-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191998481 823936333 /nfs/dbraw/zinc/93/63/33/823936333.db2.gz NRRCLPUYCSKCEH-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191998481 823936339 /nfs/dbraw/zinc/93/63/39/823936339.db2.gz NRRCLPUYCSKCEH-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192036477 823941756 /nfs/dbraw/zinc/94/17/56/823941756.db2.gz AAZRJVMKLUEOGY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192036477 823941764 /nfs/dbraw/zinc/94/17/64/823941764.db2.gz AAZRJVMKLUEOGY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001192038865 823942564 /nfs/dbraw/zinc/94/25/64/823942564.db2.gz TXJOJLABAFQZOL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192161638 823953334 /nfs/dbraw/zinc/95/33/34/823953334.db2.gz JOEMLKMNSROMCK-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192161638 823953330 /nfs/dbraw/zinc/95/33/30/823953330.db2.gz JOEMLKMNSROMCK-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC(C)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153900 823953458 /nfs/dbraw/zinc/95/34/58/823953458.db2.gz YEOQHNZGMHSOSJ-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153900 823953464 /nfs/dbraw/zinc/95/34/64/823953464.db2.gz YEOQHNZGMHSOSJ-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192162751 823954328 /nfs/dbraw/zinc/95/43/28/823954328.db2.gz RHRQUXIBVYTLCH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192162751 823954330 /nfs/dbraw/zinc/95/43/30/823954330.db2.gz RHRQUXIBVYTLCH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001192169887 823955258 /nfs/dbraw/zinc/95/52/58/823955258.db2.gz FDZLKOIMUYMHTB-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP COCC[N@@H+](C)[C@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001192868535 823987390 /nfs/dbraw/zinc/98/73/90/823987390.db2.gz YXWMHMWPICATCI-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP COCC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192868535 823987392 /nfs/dbraw/zinc/98/73/92/823987392.db2.gz YXWMHMWPICATCI-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP COCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192868535 823987396 /nfs/dbraw/zinc/98/73/96/823987396.db2.gz YXWMHMWPICATCI-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192958887 823994079 /nfs/dbraw/zinc/99/40/79/823994079.db2.gz GXMOYOZIFIQSGM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001192970194 823994890 /nfs/dbraw/zinc/99/48/90/823994890.db2.gz QRKIIKWCGPKNIM-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193463537 824029398 /nfs/dbraw/zinc/02/93/98/824029398.db2.gz WGDYBOFCSZIJIH-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193463537 824029401 /nfs/dbraw/zinc/02/94/01/824029401.db2.gz WGDYBOFCSZIJIH-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001193463537 824029404 /nfs/dbraw/zinc/02/94/04/824029404.db2.gz WGDYBOFCSZIJIH-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001193463537 824029408 /nfs/dbraw/zinc/02/94/08/824029408.db2.gz WGDYBOFCSZIJIH-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193463535 824029474 /nfs/dbraw/zinc/02/94/74/824029474.db2.gz WGDYBOFCSZIJIH-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193463535 824029476 /nfs/dbraw/zinc/02/94/76/824029476.db2.gz WGDYBOFCSZIJIH-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193463535 824029479 /nfs/dbraw/zinc/02/94/79/824029479.db2.gz WGDYBOFCSZIJIH-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193463535 824029481 /nfs/dbraw/zinc/02/94/81/824029481.db2.gz WGDYBOFCSZIJIH-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NC)C1 ZINC001193639505 824041545 /nfs/dbraw/zinc/04/15/45/824041545.db2.gz AARQOOGNVTXAJB-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC(=O)N(C)C)C1 ZINC001193630947 824042209 /nfs/dbraw/zinc/04/22/09/824042209.db2.gz QFSVHFRMYGLPGL-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC(=O)N(C)C)C1 ZINC001193630947 824042214 /nfs/dbraw/zinc/04/22/14/824042214.db2.gz QFSVHFRMYGLPGL-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)N(C)C)C1 ZINC001193630947 824042219 /nfs/dbraw/zinc/04/22/19/824042219.db2.gz QFSVHFRMYGLPGL-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N(C)C)C1 ZINC001193630947 824042222 /nfs/dbraw/zinc/04/22/22/824042222.db2.gz QFSVHFRMYGLPGL-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O)C1CC1 ZINC001193780911 824045407 /nfs/dbraw/zinc/04/54/07/824045407.db2.gz HNPMIRLTHZHCRI-MGPQQGTHSA-N 2 1 281.400 -0.102 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193791393 824046669 /nfs/dbraw/zinc/04/66/69/824046669.db2.gz LGZCMTPCYCKIKW-UTUOFQBUSA-N 2 1 255.362 -0.492 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193960927 824053442 /nfs/dbraw/zinc/05/34/42/824053442.db2.gz JBICIQOSTMOCJF-UTUOFQBUSA-N 2 1 257.378 -0.246 20 0 CBADMP C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002305 824054541 /nfs/dbraw/zinc/05/45/41/824054541.db2.gz QZCUHCFRKQQOPJ-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP CN(C)C(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194000296 824054673 /nfs/dbraw/zinc/05/46/73/824054673.db2.gz AKWUJZVVVQKVDA-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194000296 824054678 /nfs/dbraw/zinc/05/46/78/824054678.db2.gz AKWUJZVVVQKVDA-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194000296 824054683 /nfs/dbraw/zinc/05/46/83/824054683.db2.gz AKWUJZVVVQKVDA-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194000296 824054685 /nfs/dbraw/zinc/05/46/85/824054685.db2.gz AKWUJZVVVQKVDA-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194000296 824054691 /nfs/dbraw/zinc/05/46/91/824054691.db2.gz AKWUJZVVVQKVDA-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194011070 824056038 /nfs/dbraw/zinc/05/60/38/824056038.db2.gz OAZSRXFEJOOZMW-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCCO)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194011070 824056045 /nfs/dbraw/zinc/05/60/45/824056045.db2.gz OAZSRXFEJOOZMW-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCCO)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194011070 824056053 /nfs/dbraw/zinc/05/60/53/824056053.db2.gz OAZSRXFEJOOZMW-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194036669 824057460 /nfs/dbraw/zinc/05/74/60/824057460.db2.gz BYOYSMXAJKFLSS-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194037135 824057482 /nfs/dbraw/zinc/05/74/82/824057482.db2.gz CQGVGFCPFAUBPL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001194258476 824066091 /nfs/dbraw/zinc/06/60/91/824066091.db2.gz JNFVAQLQRRRMDC-VXGBXAGGSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001194258476 824066098 /nfs/dbraw/zinc/06/60/98/824066098.db2.gz JNFVAQLQRRRMDC-VXGBXAGGSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001194258476 824066102 /nfs/dbraw/zinc/06/61/02/824066102.db2.gz JNFVAQLQRRRMDC-VXGBXAGGSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001194258476 824066104 /nfs/dbraw/zinc/06/61/04/824066104.db2.gz JNFVAQLQRRRMDC-VXGBXAGGSA-N 2 1 287.404 -0.740 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@H]2CCNC2=O)C1 ZINC001194283483 824067681 /nfs/dbraw/zinc/06/76/81/824067681.db2.gz CBCIAMLWGNBDSZ-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC001194283483 824067688 /nfs/dbraw/zinc/06/76/88/824067688.db2.gz CBCIAMLWGNBDSZ-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001194283483 824067692 /nfs/dbraw/zinc/06/76/92/824067692.db2.gz CBCIAMLWGNBDSZ-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nccn2C)C1 ZINC001194886366 824094559 /nfs/dbraw/zinc/09/45/59/824094559.db2.gz HNKSBYTUMTUSCP-VXGBXAGGSA-N 2 1 280.372 -0.076 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677856 824128204 /nfs/dbraw/zinc/12/82/04/824128204.db2.gz VSMPJUUBGBNHOM-VXGBXAGGSA-N 2 1 269.389 -0.102 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001195859611 824134409 /nfs/dbraw/zinc/13/44/09/824134409.db2.gz MBOLENDQPPZHFN-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195821114 824134595 /nfs/dbraw/zinc/13/45/95/824134595.db2.gz DYBUUCIXCNUPCD-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195872417 824135143 /nfs/dbraw/zinc/13/51/43/824135143.db2.gz ZLKJSJVAMSJJKX-VXGBXAGGSA-N 2 1 257.378 -0.245 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001195869412 824135814 /nfs/dbraw/zinc/13/58/14/824135814.db2.gz CUHIAOKAMZRULM-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[N@H+](CC(=O)N2CCC2)CC1 ZINC001197028603 824175362 /nfs/dbraw/zinc/17/53/62/824175362.db2.gz HGWHHYSGEYUAQS-UHFFFAOYSA-N 2 1 296.415 -0.295 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001197028603 824175372 /nfs/dbraw/zinc/17/53/72/824175372.db2.gz HGWHHYSGEYUAQS-UHFFFAOYSA-N 2 1 296.415 -0.295 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1O ZINC001197048858 824177132 /nfs/dbraw/zinc/17/71/32/824177132.db2.gz HOZLSUBOHYBHIW-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926706 824208731 /nfs/dbraw/zinc/20/87/31/824208731.db2.gz UJQPRFIGSIIPPA-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCCN([C@@H](C)C(=O)NC)CC1 ZINC001197921980 824208988 /nfs/dbraw/zinc/20/89/88/824208988.db2.gz DPMSJHPREFOLCH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC001197921980 824209005 /nfs/dbraw/zinc/20/90/05/824209005.db2.gz DPMSJHPREFOLCH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC)CC1 ZINC001197921980 824209013 /nfs/dbraw/zinc/20/90/13/824209013.db2.gz DPMSJHPREFOLCH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC)CC1 ZINC001197921980 824209020 /nfs/dbraw/zinc/20/90/20/824209020.db2.gz DPMSJHPREFOLCH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1O ZINC001198028447 824215856 /nfs/dbraw/zinc/21/58/56/824215856.db2.gz ABYKFHKXCCECDD-JHJVBQTASA-N 2 1 287.404 -0.740 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001198028447 824215861 /nfs/dbraw/zinc/21/58/61/824215861.db2.gz ABYKFHKXCCECDD-JHJVBQTASA-N 2 1 287.404 -0.740 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001198028447 824215868 /nfs/dbraw/zinc/21/58/68/824215868.db2.gz ABYKFHKXCCECDD-JHJVBQTASA-N 2 1 287.404 -0.740 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023401 824246500 /nfs/dbraw/zinc/24/65/00/824246500.db2.gz HVXMZXNJJOPXQJ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001199057613 824248383 /nfs/dbraw/zinc/24/83/83/824248383.db2.gz NVFRWOFPQXBQGT-ZIAGYGMSSA-N 2 1 299.415 -0.594 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001199415528 824268044 /nfs/dbraw/zinc/26/80/44/824268044.db2.gz SYLCZAHRRLMGNF-VXGBXAGGSA-N 2 1 282.344 -0.919 20 0 CBADMP CCOCCN1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001199415528 824268051 /nfs/dbraw/zinc/26/80/51/824268051.db2.gz SYLCZAHRRLMGNF-VXGBXAGGSA-N 2 1 282.344 -0.919 20 0 CBADMP COC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199943252 824296802 /nfs/dbraw/zinc/29/68/02/824296802.db2.gz GOZBNXMDGKIWSA-JSGCOSHPSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943252 824296809 /nfs/dbraw/zinc/29/68/09/824296809.db2.gz GOZBNXMDGKIWSA-JSGCOSHPSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199943250 824297112 /nfs/dbraw/zinc/29/71/12/824297112.db2.gz GOZBNXMDGKIWSA-GXTWGEPZSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943250 824297118 /nfs/dbraw/zinc/29/71/18/824297118.db2.gz GOZBNXMDGKIWSA-GXTWGEPZSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCCO)CC2)O1 ZINC001201230793 824329798 /nfs/dbraw/zinc/32/97/98/824329798.db2.gz VQKJVESJNQLFBB-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCCO)CC2)O1 ZINC001201230793 824329802 /nfs/dbraw/zinc/32/98/02/824329802.db2.gz VQKJVESJNQLFBB-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001202056665 824340632 /nfs/dbraw/zinc/34/06/32/824340632.db2.gz ARWRACBIIMJUOE-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCCO)C2)C1 ZINC001202058264 824341748 /nfs/dbraw/zinc/34/17/48/824341748.db2.gz JJBXIJWFHBNKCA-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1CCC(=O)N1 ZINC001202843137 824352811 /nfs/dbraw/zinc/35/28/11/824352811.db2.gz FKIAKJLMRAOTOO-MELADBBJSA-N 2 1 280.416 -0.025 20 0 CBADMP CN(C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CCC(=O)N2)C1 ZINC001202902372 824354508 /nfs/dbraw/zinc/35/45/08/824354508.db2.gz HXMTUMJVBGNJDT-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203699697 824363294 /nfs/dbraw/zinc/36/32/94/824363294.db2.gz PYBSZLJFLXFZRO-OCCSQVGLSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204876033 824372427 /nfs/dbraw/zinc/37/24/27/824372427.db2.gz KFWVMOJFSNCRJN-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876033 824372435 /nfs/dbraw/zinc/37/24/35/824372435.db2.gz KFWVMOJFSNCRJN-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP N[C@@H]1NC(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)=CS1 ZINC001205209367 824375693 /nfs/dbraw/zinc/37/56/93/824375693.db2.gz IZGJCKSZKYJHRQ-GHMZBOCLSA-N 2 1 258.391 -0.418 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cn3c(n2)CNCC3)CC1 ZINC001205219200 824376394 /nfs/dbraw/zinc/37/63/94/824376394.db2.gz AEPRYGGSAAKPTQ-CQSZACIVSA-N 2 1 279.388 -0.338 20 0 CBADMP COC(=O)c1cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)nn1C ZINC001205248404 824376676 /nfs/dbraw/zinc/37/66/76/824376676.db2.gz PAGFRHAOCGUNOO-CQSZACIVSA-N 2 1 296.371 -0.118 20 0 CBADMP COC(=O)c1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)nn1C ZINC001205248404 824376683 /nfs/dbraw/zinc/37/66/83/824376683.db2.gz PAGFRHAOCGUNOO-CQSZACIVSA-N 2 1 296.371 -0.118 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CC(N)=O)CC2)CC[N@H+]1C ZINC001205334957 824377524 /nfs/dbraw/zinc/37/75/24/824377524.db2.gz UHZOHEQCPPEHGU-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@H]1C[NH3+] ZINC001205638842 824380597 /nfs/dbraw/zinc/38/05/97/824380597.db2.gz SMNDFGLENZLIII-RYUDHWBXSA-N 2 1 294.399 -0.109 20 0 CBADMP Cc1ncc(CO)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206525539 824402074 /nfs/dbraw/zinc/40/20/74/824402074.db2.gz SOBDMAUCMIYPOL-CABZTGNLSA-N 2 1 267.329 -0.661 20 0 CBADMP Cc1ncc(CO)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206525539 824402077 /nfs/dbraw/zinc/40/20/77/824402077.db2.gz SOBDMAUCMIYPOL-CABZTGNLSA-N 2 1 267.329 -0.661 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCCO)cc2)C[C@@H]1O ZINC001206520835 824402307 /nfs/dbraw/zinc/40/23/07/824402307.db2.gz XESUCHLSJFZNDB-JSGCOSHPSA-N 2 1 266.341 -0.191 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCCO)cc2)C[C@@H]1O ZINC001206520835 824402311 /nfs/dbraw/zinc/40/23/11/824402311.db2.gz XESUCHLSJFZNDB-JSGCOSHPSA-N 2 1 266.341 -0.191 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001206872573 824407951 /nfs/dbraw/zinc/40/79/51/824407951.db2.gz KKLJFKHTFPFKSZ-ZDUSSCGKSA-N 2 1 296.415 -0.358 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206890391 824409630 /nfs/dbraw/zinc/40/96/30/824409630.db2.gz PJMHJTPTJDFPFD-UHFFFAOYSA-N 2 1 284.404 -0.358 20 0 CBADMP CC1(C)C[N@@H+](CC2CC[NH2+]CC2)CCN1CC(N)=O ZINC001207438731 824427934 /nfs/dbraw/zinc/42/79/34/824427934.db2.gz GCGHXXOKQLQRLG-UHFFFAOYSA-N 2 1 268.405 -0.133 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1C(C)=O ZINC001207441989 824427961 /nfs/dbraw/zinc/42/79/61/824427961.db2.gz OYFGDVNZHVZOGN-CYBMUJFWSA-N 2 1 283.372 -0.308 20 0 CBADMP CCOC(=O)C[C@H]1C(=O)NCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207438100 824428061 /nfs/dbraw/zinc/42/80/61/824428061.db2.gz XPUPOCHHWFXUMZ-LBPRGKRZSA-N 2 1 283.372 -0.260 20 0 CBADMP CCOC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207438100 824428066 /nfs/dbraw/zinc/42/80/66/824428066.db2.gz XPUPOCHHWFXUMZ-LBPRGKRZSA-N 2 1 283.372 -0.260 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207684213 824434226 /nfs/dbraw/zinc/43/42/26/824434226.db2.gz KNUUJWUGHJMKOU-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCCO)C2)C1 ZINC001207734051 824436296 /nfs/dbraw/zinc/43/62/96/824436296.db2.gz CFUPKLHBGKISQL-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCCO)C2)C1 ZINC001207734051 824436299 /nfs/dbraw/zinc/43/62/99/824436299.db2.gz CFUPKLHBGKISQL-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP COCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207734076 824436757 /nfs/dbraw/zinc/43/67/57/824436757.db2.gz CHQNNUAATIQTFI-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207734076 824436759 /nfs/dbraw/zinc/43/67/59/824436759.db2.gz CHQNNUAATIQTFI-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207734604 824437046 /nfs/dbraw/zinc/43/70/46/824437046.db2.gz KCIYJQBRGGEACP-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207734604 824437049 /nfs/dbraw/zinc/43/70/49/824437049.db2.gz KCIYJQBRGGEACP-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001208423428 824451844 /nfs/dbraw/zinc/45/18/44/824451844.db2.gz KCVBPWNELJYJMF-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001208423427 824452037 /nfs/dbraw/zinc/45/20/37/824452037.db2.gz KCVBPWNELJYJMF-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208438083 824453058 /nfs/dbraw/zinc/45/30/58/824453058.db2.gz CGQFEHVILGVGFJ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208438083 824453061 /nfs/dbraw/zinc/45/30/61/824453061.db2.gz CGQFEHVILGVGFJ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492367 824454676 /nfs/dbraw/zinc/45/46/76/824454676.db2.gz KVDJBZYGLVMVLI-IJLUTSLNSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492367 824454678 /nfs/dbraw/zinc/45/46/78/824454678.db2.gz KVDJBZYGLVMVLI-IJLUTSLNSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496385 824455244 /nfs/dbraw/zinc/45/52/44/824455244.db2.gz RIXIZLGHTVICOJ-FRRDWIJNSA-N 2 1 298.431 -0.149 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](CCN2CCOCC2)CCC1=O ZINC001209293073 824467046 /nfs/dbraw/zinc/46/70/46/824467046.db2.gz DIRIGZITYNKOGM-UHFFFAOYSA-N 2 1 298.431 -0.586 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506131 824472848 /nfs/dbraw/zinc/47/28/48/824472848.db2.gz FSOMEJPCYYSENG-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506131 824472851 /nfs/dbraw/zinc/47/28/51/824472851.db2.gz FSOMEJPCYYSENG-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C ZINC001209625861 824473800 /nfs/dbraw/zinc/47/38/00/824473800.db2.gz KYUZJJTXNCPVMZ-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C ZINC001209625861 824473801 /nfs/dbraw/zinc/47/38/01/824473801.db2.gz KYUZJJTXNCPVMZ-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209634637 824474123 /nfs/dbraw/zinc/47/41/23/824474123.db2.gz HJWOTBDMABMKEV-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209634637 824474127 /nfs/dbraw/zinc/47/41/27/824474127.db2.gz HJWOTBDMABMKEV-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001209635739 824474327 /nfs/dbraw/zinc/47/43/27/824474327.db2.gz WMSPOBSEVNKSOL-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001209635739 824474332 /nfs/dbraw/zinc/47/43/32/824474332.db2.gz WMSPOBSEVNKSOL-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1C ZINC001210514557 824479848 /nfs/dbraw/zinc/47/98/48/824479848.db2.gz XZNFAAWYINWBQH-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1C ZINC001210514557 824479852 /nfs/dbraw/zinc/47/98/52/824479852.db2.gz XZNFAAWYINWBQH-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001210514557 824479854 /nfs/dbraw/zinc/47/98/54/824479854.db2.gz XZNFAAWYINWBQH-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001210514557 824479857 /nfs/dbraw/zinc/47/98/57/824479857.db2.gz XZNFAAWYINWBQH-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCOC)C2)C1 ZINC001211176650 824483722 /nfs/dbraw/zinc/48/37/22/824483722.db2.gz MPUNZTLNEPQVJP-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCOC)C2)C1 ZINC001211176650 824483727 /nfs/dbraw/zinc/48/37/27/824483727.db2.gz MPUNZTLNEPQVJP-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1OC ZINC001213678492 824515118 /nfs/dbraw/zinc/51/51/18/824515118.db2.gz YTFWVTMIHRGRPE-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1OC ZINC001213678492 824515122 /nfs/dbraw/zinc/51/51/22/824515122.db2.gz YTFWVTMIHRGRPE-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1OC ZINC001213678492 824515124 /nfs/dbraw/zinc/51/51/24/824515124.db2.gz YTFWVTMIHRGRPE-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1OC ZINC001213769234 824516028 /nfs/dbraw/zinc/51/60/28/824516028.db2.gz KLYSOLDWUZZZDZ-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC ZINC001213769234 824516030 /nfs/dbraw/zinc/51/60/30/824516030.db2.gz KLYSOLDWUZZZDZ-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001213769234 824516032 /nfs/dbraw/zinc/51/60/32/824516032.db2.gz KLYSOLDWUZZZDZ-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1OC ZINC001213767271 824516285 /nfs/dbraw/zinc/51/62/85/824516285.db2.gz KYNVMUOUKNUANH-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1OC ZINC001213767271 824516288 /nfs/dbraw/zinc/51/62/88/824516288.db2.gz KYNVMUOUKNUANH-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1OC ZINC001213767271 824516293 /nfs/dbraw/zinc/51/62/93/824516293.db2.gz KYNVMUOUKNUANH-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214335897 824528695 /nfs/dbraw/zinc/52/86/95/824528695.db2.gz METJZZCZOOZJNB-UTUOFQBUSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CC(N)=O ZINC001215563769 824542901 /nfs/dbraw/zinc/54/29/01/824542901.db2.gz NQZBWRUPQJRRJC-VXGBXAGGSA-N 2 1 298.431 -0.114 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754053 824548996 /nfs/dbraw/zinc/54/89/96/824548996.db2.gz FSARDYZTUGWCJB-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@@H]1C[N@@H+](CCc2nnc(C[C@H](O)C[NH3+])o2)C[C@H](C)O1 ZINC001217695333 824558317 /nfs/dbraw/zinc/55/83/17/824558317.db2.gz RIKHPFNHMFOKTR-AXFHLTTASA-N 2 1 284.360 -0.417 20 0 CBADMP C[C@@H]1C[N@H+](CCc2nnc(C[C@H](O)C[NH3+])o2)C[C@H](C)O1 ZINC001217695333 824558321 /nfs/dbraw/zinc/55/83/21/824558321.db2.gz RIKHPFNHMFOKTR-AXFHLTTASA-N 2 1 284.360 -0.417 20 0 CBADMP C[C@@H]1C[N@@H+](CCc2nnc([C@H](O)C[NH3+])o2)C[C@H](C)O1 ZINC001217740388 824560014 /nfs/dbraw/zinc/56/00/14/824560014.db2.gz OAYYNHMTLUOEHD-KXUCPTDWSA-N 2 1 270.333 -0.287 20 0 CBADMP C[C@@H]1C[N@H+](CCc2nnc([C@H](O)C[NH3+])o2)C[C@H](C)O1 ZINC001217740388 824560019 /nfs/dbraw/zinc/56/00/19/824560019.db2.gz OAYYNHMTLUOEHD-KXUCPTDWSA-N 2 1 270.333 -0.287 20 0 CBADMP C[C@@H]1C[N@@H+](CCc2nnc([C@@]3(N)CC[NH2+]C3)o2)C[C@H](C)O1 ZINC001217735618 824560446 /nfs/dbraw/zinc/56/04/46/824560446.db2.gz AMOGZENAPNAMLP-UHIISALHSA-N 2 1 295.387 -0.131 20 0 CBADMP C[C@@H]1C[N@H+](CCc2nnc([C@@]3(N)CC[NH2+]C3)o2)C[C@H](C)O1 ZINC001217735618 824560454 /nfs/dbraw/zinc/56/04/54/824560454.db2.gz AMOGZENAPNAMLP-UHIISALHSA-N 2 1 295.387 -0.131 20 0 CBADMP C[C@H]1C[NH+](CCc2nnc([C@H]3C[NH2+]CCN3)o2)C[C@H](C)O1 ZINC001217724811 824561349 /nfs/dbraw/zinc/56/13/49/824561349.db2.gz SEBIURIWXPAPMU-SDDRHHMPSA-N 2 1 295.387 -0.045 20 0 CBADMP CCOC(=O)c1cc(NC(=O)[C@H]([NH3+])CCC[NH3+])n[nH]1 ZINC001218511197 824577893 /nfs/dbraw/zinc/57/78/93/824577893.db2.gz SKKACTIWCJZIIM-SSDOTTSWSA-N 2 1 269.305 -0.409 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)Nc1noc2nccnc12 ZINC001218574597 824598073 /nfs/dbraw/zinc/59/80/73/824598073.db2.gz XXKKWFJNZWQOAN-SSDOTTSWSA-N 2 1 273.256 -0.151 20 0 CBADMP C[C@@H](C[NH3+])C(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001218579743 824598823 /nfs/dbraw/zinc/59/88/23/824598823.db2.gz JLSDPVVZWCOVIP-JTQLQIEISA-N 2 1 278.360 -0.238 20 0 CBADMP C[NH2+]CCC(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001218579843 824598868 /nfs/dbraw/zinc/59/88/68/824598868.db2.gz NAKCGRSCPZVOAI-UHFFFAOYSA-N 2 1 278.360 -0.224 20 0 CBADMP COCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582083 824599368 /nfs/dbraw/zinc/59/93/68/824599368.db2.gz LVVYMOHKECPETB-QWHCGFSZSA-N 2 1 285.388 -0.504 20 0 CBADMP CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600925 824601390 /nfs/dbraw/zinc/60/13/90/824601390.db2.gz SZICRMIGWLNMPP-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600820 824602566 /nfs/dbraw/zinc/60/25/66/824602566.db2.gz PFNONBSRFGSGHU-MELADBBJSA-N 2 1 299.415 -0.115 20 0 CBADMP [NH3+]C1CCN(c2ccc(NC(=O)[C@@H]3COC[NH2+]3)cn2)CC1 ZINC001218724051 824628842 /nfs/dbraw/zinc/62/88/42/824628842.db2.gz ABZWYPDDRMCHHY-LBPRGKRZSA-N 2 1 291.355 -0.107 20 0 CBADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)[C@H]1[NH2+]CC[C@@H]1O ZINC001218743687 824631316 /nfs/dbraw/zinc/63/13/16/824631316.db2.gz WTPDJGBHGDTGSP-JQWIXIFHSA-N 2 1 273.296 -0.071 20 0 CBADMP N[C@]1(C(=O)Nc2ccnn2-c2cc[nH+]cc2)CC[NH2+]C1 ZINC001218742885 824631580 /nfs/dbraw/zinc/63/15/80/824631580.db2.gz LIAQJODZCYZIOY-CYBMUJFWSA-N 2 1 272.312 -0.103 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2CN(CCO)C[C@@H]21 ZINC001219055084 824654174 /nfs/dbraw/zinc/65/41/74/824654174.db2.gz VUFPABVECIJNCS-QWHCGFSZSA-N 2 1 285.388 -0.770 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001219055084 824654189 /nfs/dbraw/zinc/65/41/89/824654189.db2.gz VUFPABVECIJNCS-QWHCGFSZSA-N 2 1 285.388 -0.770 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001219055084 824654193 /nfs/dbraw/zinc/65/41/93/824654193.db2.gz VUFPABVECIJNCS-QWHCGFSZSA-N 2 1 285.388 -0.770 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001219055084 824654198 /nfs/dbraw/zinc/65/41/98/824654198.db2.gz VUFPABVECIJNCS-QWHCGFSZSA-N 2 1 285.388 -0.770 20 0 CBADMP N=c1c2cc(N)ccc2on1C(=O)C[NH2+]CCC[NH3+] ZINC001219138593 824666297 /nfs/dbraw/zinc/66/62/97/824666297.db2.gz PENRSWPXBVWNQW-UHFFFAOYSA-N 2 1 263.301 -0.125 20 0 CBADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219358145 824696924 /nfs/dbraw/zinc/69/69/24/824696924.db2.gz ZQZXWBUOFAPGEV-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219358145 824696928 /nfs/dbraw/zinc/69/69/28/824696928.db2.gz ZQZXWBUOFAPGEV-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219358145 824696930 /nfs/dbraw/zinc/69/69/30/824696930.db2.gz ZQZXWBUOFAPGEV-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219358145 824696933 /nfs/dbraw/zinc/69/69/33/824696933.db2.gz ZQZXWBUOFAPGEV-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)C1 ZINC001219537884 824722851 /nfs/dbraw/zinc/72/28/51/824722851.db2.gz RBJMCKZSSKHMRQ-PLKZCJTGSA-N 2 1 288.351 -0.238 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)C1 ZINC001219542358 824724624 /nfs/dbraw/zinc/72/46/24/824724624.db2.gz RBJMCKZSSKHMRQ-PZEZNAACSA-N 2 1 288.351 -0.238 20 0 CBADMP CC(C)C[C@@](C)([NH3+])C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595459 824739135 /nfs/dbraw/zinc/73/91/35/824739135.db2.gz AZBTWOZOOZGCRB-SNVBAGLBSA-N 2 1 265.379 -0.503 20 0 CBADMP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1COC[NH2+]1 ZINC001219609617 824854585 /nfs/dbraw/zinc/85/45/85/824854585.db2.gz AFRQMTVYLIOBSX-POYBYMJQSA-N 2 1 253.224 -0.657 20 0 CBADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CC2CC[NH+]1CC2 ZINC001219616301 824856889 /nfs/dbraw/zinc/85/68/89/824856889.db2.gz WQDPNBIUHGUTEF-MBNYWOFBSA-N 2 1 285.363 -0.351 20 0 CBADMP Cn1cnc(CCNC(=O)C[NH2+]C2CC[NH2+]CC2)c1 ZINC001219632435 824865214 /nfs/dbraw/zinc/86/52/14/824865214.db2.gz MWUUUBFEEGXUID-UHFFFAOYSA-N 2 1 265.361 -0.580 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCN1CCCCO1 ZINC001219631977 824866820 /nfs/dbraw/zinc/86/68/20/824866820.db2.gz DOQSLJPLBAMPSU-UHFFFAOYSA-N 2 1 270.377 -0.528 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccnn32)C1 ZINC001219638054 824868467 /nfs/dbraw/zinc/86/84/67/824868467.db2.gz IZUQXUUWIYCFBF-GVXVVHGQSA-N 2 1 277.372 -0.111 20 0 CBADMP C[C@H]1C[NH2+]C[C@@H](CNC(=O)CN2CC[NH+](C)CC2)C1 ZINC001219642865 824871956 /nfs/dbraw/zinc/87/19/56/824871956.db2.gz YOTJCLVYSOSQRL-OLZOCXBDSA-N 2 1 268.405 -0.404 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](O)C2)C1 ZINC001219649386 824873569 /nfs/dbraw/zinc/87/35/69/824873569.db2.gz ILDMJALLMIHZLD-SRVKXCTJSA-N 2 1 255.362 -0.585 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C[N@H+]2CC[C@H](O)C2)C1 ZINC001219649386 824873577 /nfs/dbraw/zinc/87/35/77/824873577.db2.gz ILDMJALLMIHZLD-SRVKXCTJSA-N 2 1 255.362 -0.585 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)C[N@@H+]2CC[C@@H](O)C2)C1 ZINC001219649384 824873665 /nfs/dbraw/zinc/87/36/65/824873665.db2.gz ILDMJALLMIHZLD-QJPTWQEYSA-N 2 1 255.362 -0.585 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)C[N@H+]2CC[C@@H](O)C2)C1 ZINC001219649384 824873668 /nfs/dbraw/zinc/87/36/68/824873668.db2.gz ILDMJALLMIHZLD-QJPTWQEYSA-N 2 1 255.362 -0.585 20 0 CBADMP C[C@H]1C[NH2+]C[C@@H](CNC(=O)c2cnn3c2C[NH2+]CC3)C1 ZINC001219662620 824875426 /nfs/dbraw/zinc/87/54/26/824875426.db2.gz KAMPEPFOQLMALA-MNOVXSKESA-N 2 1 277.372 -0.038 20 0 CBADMP C[C@H]1C[NH2+]C[C@H](CNC(=O)c2c3c(nn2C)C[NH2+]C3)C1 ZINC001219667031 824876256 /nfs/dbraw/zinc/87/62/56/824876256.db2.gz SMMULCACKMHETG-NXEZZACHSA-N 2 1 277.372 -0.001 20 0 CBADMP C[C@@H]1C[C@@H](CNC(=O)[C@H]([NH3+])Cc2c[nH]cn2)C[NH2+]1 ZINC001219684489 824878611 /nfs/dbraw/zinc/87/86/11/824878611.db2.gz OKNVPYVTCDYIIB-FXPVBKGRSA-N 2 1 251.334 -0.606 20 0 CBADMP Cc1ccn2c(CNC(=O)[C@@H]([NH3+])CC[NH3+])cnc2c1 ZINC001219709907 824885535 /nfs/dbraw/zinc/88/55/35/824885535.db2.gz SPAYVFJWBQPIHV-NSHDSACASA-N 2 1 261.329 -0.065 20 0 CBADMP O=C(C=C1CC[NH2+]CC1)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765871 824891008 /nfs/dbraw/zinc/89/10/08/824891008.db2.gz GAEWUUUUAOBJEL-KGLIPLIRSA-N 2 1 278.400 -0.294 20 0 CBADMP O=C(C=C1CC[NH2+]CC1)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765871 824891014 /nfs/dbraw/zinc/89/10/14/824891014.db2.gz GAEWUUUUAOBJEL-KGLIPLIRSA-N 2 1 278.400 -0.294 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219767719 824891233 /nfs/dbraw/zinc/89/12/33/824891233.db2.gz CRNLDFCRTKPFNG-ZYHUDNBSSA-N 2 1 269.324 -0.513 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC1CC2(C1)CC[NH2+]CC2 ZINC001219772929 824891918 /nfs/dbraw/zinc/89/19/18/824891918.db2.gz GJAZNRXRTDKCMA-UHFFFAOYSA-N 3 1 280.416 -0.024 20 0 CBADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001219765932 824892203 /nfs/dbraw/zinc/89/22/03/824892203.db2.gz ILZGFAXKFADVKE-XQHKEYJVSA-N 2 1 284.379 -0.656 20 0 CBADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001219765932 824892208 /nfs/dbraw/zinc/89/22/08/824892208.db2.gz ILZGFAXKFADVKE-XQHKEYJVSA-N 2 1 284.379 -0.656 20 0 CBADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1CC[NH2+]C[C@@H]1F ZINC001219765931 824892251 /nfs/dbraw/zinc/89/22/51/824892251.db2.gz ILZGFAXKFADVKE-VOAKCMCISA-N 2 1 284.379 -0.656 20 0 CBADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1CC[NH2+]C[C@@H]1F ZINC001219765931 824892254 /nfs/dbraw/zinc/89/22/54/824892254.db2.gz ILZGFAXKFADVKE-VOAKCMCISA-N 2 1 284.379 -0.656 20 0 CBADMP C[C@]1(C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)CC[NH2+]C1 ZINC001219766305 824892349 /nfs/dbraw/zinc/89/23/49/824892349.db2.gz PHMVCEXBFXJROI-DYEKYZERSA-N 2 1 266.389 -0.604 20 0 CBADMP C[C@]1(C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)CC[NH2+]C1 ZINC001219766305 824892354 /nfs/dbraw/zinc/89/23/54/824892354.db2.gz PHMVCEXBFXJROI-DYEKYZERSA-N 2 1 266.389 -0.604 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219767775 824892396 /nfs/dbraw/zinc/89/23/96/824892396.db2.gz DWTAWVKKIRHQMX-CYBMUJFWSA-N 3 1 272.368 -0.464 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219803674 824895773 /nfs/dbraw/zinc/89/57/73/824895773.db2.gz CUFBYIXWIREKCS-AGIUHOORSA-N 2 1 285.388 -0.866 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219801265 824895807 /nfs/dbraw/zinc/89/58/07/824895807.db2.gz WPRJGVAIFLNMKG-GFCCVEGCSA-N 3 1 296.415 -0.787 20 0 CBADMP COC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815809 824897254 /nfs/dbraw/zinc/89/72/54/824897254.db2.gz KWRBWOVMRMTUAL-BNOWGMLFSA-N 2 1 299.415 -0.333 20 0 CBADMP [NH3+][C@@H](C(=O)NCc1noc2c1CNCC2)C1CC[NH2+]CC1 ZINC001219811100 824898147 /nfs/dbraw/zinc/89/81/47/824898147.db2.gz KACDQXFPPLBUBS-CYBMUJFWSA-N 2 1 293.371 -0.737 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[NH+](C)C ZINC001219847057 824901278 /nfs/dbraw/zinc/90/12/78/824901278.db2.gz QHMONWKOGXAHNH-AGIUHOORSA-N 2 1 287.404 -0.884 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001219867773 824903987 /nfs/dbraw/zinc/90/39/87/824903987.db2.gz RDXRGLOPZKYARR-CHWSQXEVSA-N 2 1 263.341 -0.303 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1[C@H](O)CC[N@H+]1Cc1ccccc1 ZINC001219867773 824903990 /nfs/dbraw/zinc/90/39/90/824903990.db2.gz RDXRGLOPZKYARR-CHWSQXEVSA-N 2 1 263.341 -0.303 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O)[NH+](C)C ZINC001219869889 824906023 /nfs/dbraw/zinc/90/60/23/824906023.db2.gz UZTQWZIBURHFBF-UTUOFQBUSA-N 2 1 273.377 -0.866 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877962 824907574 /nfs/dbraw/zinc/90/75/74/824907574.db2.gz VSUIKBBXEMJDFO-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219890464 824910569 /nfs/dbraw/zinc/91/05/69/824910569.db2.gz ICALEGBZFVLKSB-ZJUUUORDSA-N 2 1 264.329 -0.563 20 0 CBADMP C[C@H]([NH3+])c1ncc(C(=O)NCC[NH2+]CCO)s1 ZINC001219919071 824915615 /nfs/dbraw/zinc/91/56/15/824915615.db2.gz WMIBRQMLDFJSLL-ZETCQYMHSA-N 2 1 258.347 -0.526 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001219934784 824916864 /nfs/dbraw/zinc/91/68/64/824916864.db2.gz NDEZWHVKVQNSJH-YPMLDQLKSA-N 2 1 272.374 -0.596 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001219934985 824917336 /nfs/dbraw/zinc/91/73/36/824917336.db2.gz WKJPXTZSVLWUEC-SNVBAGLBSA-N 2 1 282.348 -0.916 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219934936 824917613 /nfs/dbraw/zinc/91/76/13/824917613.db2.gz TZDFXYKWCMSSPM-NSHDSACASA-N 3 1 253.350 -0.236 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219978984 824928797 /nfs/dbraw/zinc/92/87/97/824928797.db2.gz XHLAGFXOHDLHRD-OLZOCXBDSA-N 3 1 280.416 -0.357 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[C@@H]([NH3+])CN2)C1 ZINC001219980892 824929013 /nfs/dbraw/zinc/92/90/13/824929013.db2.gz QLQDLDPJCLQDIQ-UTUOFQBUSA-N 2 1 254.378 -0.476 20 0 CBADMP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)C1 ZINC001219980892 824929019 /nfs/dbraw/zinc/92/90/19/824929019.db2.gz QLQDLDPJCLQDIQ-UTUOFQBUSA-N 2 1 254.378 -0.476 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)C1 ZINC001219980892 824929043 /nfs/dbraw/zinc/92/90/43/824929043.db2.gz QLQDLDPJCLQDIQ-UTUOFQBUSA-N 3 1 254.378 -0.476 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001219978966 824929567 /nfs/dbraw/zinc/92/95/67/824929567.db2.gz WWSYWMRMYBHSCV-NFAWXSAZSA-N 2 1 280.416 -0.214 20 0 CBADMP C[NH2+]CCNC(=O)[C@H](CO)[N@H+](C)Cc1ccccc1 ZINC001220056178 824947349 /nfs/dbraw/zinc/94/73/49/824947349.db2.gz RGOSQXZAPZYPQJ-ZDUSSCGKSA-N 2 1 265.357 -0.185 20 0 CBADMP C[NH2+]CCNC(=O)[C@H](CO)[N@@H+](C)Cc1ccccc1 ZINC001220056178 824947353 /nfs/dbraw/zinc/94/73/53/824947353.db2.gz RGOSQXZAPZYPQJ-ZDUSSCGKSA-N 2 1 265.357 -0.185 20 0 CBADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001220101311 824955481 /nfs/dbraw/zinc/95/54/81/824955481.db2.gz IBLVJBCVNOWROQ-IUCAKERBSA-N 2 1 259.329 -0.463 20 0 CBADMP N=C(NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1)SCC[NH3+] ZINC001220106216 824956558 /nfs/dbraw/zinc/95/65/58/824956558.db2.gz FSAGPYJPYXWHKQ-ZETCQYMHSA-N 2 1 256.335 -0.978 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220160278 824974725 /nfs/dbraw/zinc/97/47/25/824974725.db2.gz WQHLDMVBJDWHAD-NSHDSACASA-N 3 1 252.362 -0.996 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001220161585 824975379 /nfs/dbraw/zinc/97/53/79/824975379.db2.gz DHKMWSDXOKYIHI-UHXUPSOCSA-N 2 1 266.389 -0.286 20 0 CBADMP CCC1(CNC(=O)C[NH2+]C2CC[NH2+]CC2)COC1 ZINC001220170635 824976868 /nfs/dbraw/zinc/97/68/68/824976868.db2.gz QKKSYOGVHLZXBN-UHFFFAOYSA-N 2 1 255.362 -0.129 20 0 CBADMP N=C(NC(=O)C[NH2+]C1CC[NH2+]CC1)c1ncc[nH]1 ZINC001220181517 824981271 /nfs/dbraw/zinc/98/12/71/824981271.db2.gz RNZJDBCBGDRNKR-UHFFFAOYSA-N 2 1 250.306 -0.807 20 0 CBADMP CCOC(=O)CC1(NC(=O)C[NH2+]C2CC[NH2+]CC2)COC1 ZINC001220215263 824988147 /nfs/dbraw/zinc/98/81/47/824988147.db2.gz PIUGETWRIBHVCE-UHFFFAOYSA-N 2 1 299.371 -0.834 20 0 CBADMP CCCNC(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001220232777 824991614 /nfs/dbraw/zinc/99/16/14/824991614.db2.gz OYQAKGHWSWDBTM-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230489 824991682 /nfs/dbraw/zinc/99/16/82/824991682.db2.gz HMLCEBUWGMWWGW-UPJWGTAASA-N 2 1 299.415 -0.476 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NCC(C)(C)C[NH+](C)C ZINC001220254137 824996174 /nfs/dbraw/zinc/99/61/74/824996174.db2.gz JZNAJRRNGWOTFP-JTQLQIEISA-N 2 1 273.377 -0.029 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220252025 824996214 /nfs/dbraw/zinc/99/62/14/824996214.db2.gz LUJJLOLOERRUMP-VXGBXAGGSA-N 3 1 266.389 -0.604 20 0 CBADMP CC1(C)OCC(NC(=O)C[NH2+]C2CC[NH2+]CC2)CO1 ZINC001220270765 825001499 /nfs/dbraw/zinc/00/14/99/825001499.db2.gz FRMCHLNLFGJFSN-UHFFFAOYSA-N 2 1 271.361 -0.404 20 0 CBADMP Cc1cccn2cc(CNC(=O)[C@@H]([NH3+])CC[NH3+])nc12 ZINC001220278650 825004895 /nfs/dbraw/zinc/00/48/95/825004895.db2.gz ZIPSZIRBZWGKEP-NSHDSACASA-N 2 1 261.329 -0.065 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC001220286567 825005481 /nfs/dbraw/zinc/00/54/81/825005481.db2.gz LUWAKAJNWSTYLH-NSHDSACASA-N 2 1 282.319 -0.652 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC001220307166 825010664 /nfs/dbraw/zinc/01/06/64/825010664.db2.gz TXBBDHYYVKCXCP-CQSZACIVSA-N 2 1 268.405 -0.118 20 0 CBADMP COC(=O)c1n[nH]cc1NC(=O)C[NH2+]CCC[NH3+] ZINC001220373379 825022937 /nfs/dbraw/zinc/02/29/37/825022937.db2.gz LJYJDPPXWDJCEQ-UHFFFAOYSA-N 2 1 255.278 -0.927 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCc1ncccc1O ZINC001220389696 825027292 /nfs/dbraw/zinc/02/72/92/825027292.db2.gz CCVLEGXYKOZKSO-UHFFFAOYSA-N 2 1 264.329 -0.255 20 0 CBADMP COc1ccc(CCNC(=O)[C@@H]([NH3+])CC[NH3+])nc1 ZINC001220397050 825030873 /nfs/dbraw/zinc/03/08/73/825030873.db2.gz WRAYKEMZSHQUBL-NSHDSACASA-N 2 1 252.318 -0.575 20 0 CBADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@@H]1COCCN1 ZINC001220428826 825036554 /nfs/dbraw/zinc/03/65/54/825036554.db2.gz FUOQUMYELBIRJL-NEPJUHHUSA-N 2 1 272.393 -0.850 20 0 CBADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@H]1COCCN1 ZINC001220428827 825036809 /nfs/dbraw/zinc/03/68/09/825036809.db2.gz FUOQUMYELBIRJL-RYUDHWBXSA-N 2 1 272.393 -0.850 20 0 CBADMP O=C(NC1CC[NH+](CCF)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220436578 825040148 /nfs/dbraw/zinc/04/01/48/825040148.db2.gz XLEARQPFDAXEFY-QWRGUYRKSA-N 2 1 259.325 -0.741 20 0 CBADMP COCCOc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH3+])cn1 ZINC001220458622 825043095 /nfs/dbraw/zinc/04/30/95/825043095.db2.gz YBJVUUFUBKEPIV-NSHDSACASA-N 2 1 282.344 -0.601 20 0 CBADMP CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220568181 825063047 /nfs/dbraw/zinc/06/30/47/825063047.db2.gz ZEEVPVRNAVMCLZ-NWDGAFQWSA-N 2 1 294.355 -0.652 20 0 CBADMP C[C@@]1(C(=O)NCC[NH+]2CC3(COC3)C2)CC[NH2+]C1 ZINC001220570841 825064311 /nfs/dbraw/zinc/06/43/11/825064311.db2.gz AYYGXCAHRNALJS-GFCCVEGCSA-N 2 1 253.346 -0.566 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCC(F)(F)c1ccccn1 ZINC001220571131 825067017 /nfs/dbraw/zinc/06/70/17/825067017.db2.gz JTHABDCPTCYZRE-QMMMGPOBSA-N 2 1 258.272 -0.034 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@@H]1O ZINC001220583226 825070365 /nfs/dbraw/zinc/07/03/65/825070365.db2.gz SSPGBDHETLTRQZ-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCC)C[C@@H]1O ZINC001220821842 825106193 /nfs/dbraw/zinc/10/61/93/825106193.db2.gz IANLZOJVVQCECA-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637300 825080132 /nfs/dbraw/zinc/08/01/32/825080132.db2.gz BCBNLIOPYUMRII-KGLIPLIRSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220681806 825084592 /nfs/dbraw/zinc/08/45/92/825084592.db2.gz QCCNTYYYYLETPQ-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1O ZINC001220689253 825086915 /nfs/dbraw/zinc/08/69/15/825086915.db2.gz BTAVCYJWSKFUQS-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1O ZINC001220689253 825086921 /nfs/dbraw/zinc/08/69/21/825086921.db2.gz BTAVCYJWSKFUQS-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1O ZINC001220689253 825086926 /nfs/dbraw/zinc/08/69/26/825086926.db2.gz BTAVCYJWSKFUQS-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1cc(-c2ccncc2)n[nH]1 ZINC001220695231 825087709 /nfs/dbraw/zinc/08/77/09/825087709.db2.gz VGCGIVXIUJCAGP-NSHDSACASA-N 2 1 274.328 -0.236 20 0 CBADMP C[C@@H]1COCCN1CCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220725915 825093271 /nfs/dbraw/zinc/09/32/71/825093271.db2.gz ZYNOBUXKFWMJNJ-GFCCVEGCSA-N 2 1 284.404 -0.835 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1O)C2 ZINC001220716826 825093831 /nfs/dbraw/zinc/09/38/31/825093831.db2.gz SGYWAQSNOWUJBT-LBELIVKGSA-N 2 1 267.373 -0.302 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H]1CN(c2ccccc2)CCO1 ZINC001220736126 825095841 /nfs/dbraw/zinc/09/58/41/825095841.db2.gz BGCMHTUUIKLISX-KGLIPLIRSA-N 2 1 292.383 -0.316 20 0 CBADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764439 825099893 /nfs/dbraw/zinc/09/98/93/825099893.db2.gz LDYFGXVTQDVRDC-OLZOCXBDSA-N 2 1 287.404 -0.618 20 0 CBADMP [NH3+][C@@]12CC[C@@](NC(=O)C[N@@H+]3CC[C@H](O)C3)(C1)CCC2 ZINC001220779724 825101332 /nfs/dbraw/zinc/10/13/32/825101332.db2.gz YIHYUEHVBWMDCU-FPMFFAJLSA-N 2 1 267.373 -0.027 20 0 CBADMP [NH3+][C@@]12CC[C@@](NC(=O)C[N@H+]3CC[C@H](O)C3)(C1)CCC2 ZINC001220779724 825101337 /nfs/dbraw/zinc/10/13/37/825101337.db2.gz YIHYUEHVBWMDCU-FPMFFAJLSA-N 2 1 267.373 -0.027 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220788455 825102023 /nfs/dbraw/zinc/10/20/23/825102023.db2.gz DZWNFVNRFMVLOL-RWMBFGLXSA-N 3 1 277.372 -0.476 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1O ZINC001220822467 825106180 /nfs/dbraw/zinc/10/61/80/825106180.db2.gz ZRFWITJMASNCDQ-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1O ZINC001220822084 825106343 /nfs/dbraw/zinc/10/63/43/825106343.db2.gz NLXLYPBQZJBIMS-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCOC(=O)C1=C(NC(=O)[C@@H]2[NH2+]CCS2)C[NH2+]C1 ZINC001220828084 825108346 /nfs/dbraw/zinc/10/83/46/825108346.db2.gz GGBCNZSYSGKUQF-SNVBAGLBSA-N 2 1 271.342 -0.815 20 0 CBADMP CCOC(=O)C1=C(NC(=O)[C@@H]2COC(C)(C)C[NH2+]2)C[NH2+]C1 ZINC001220830288 825109843 /nfs/dbraw/zinc/10/98/43/825109843.db2.gz VJVUKGNYFDQXAH-NSHDSACASA-N 2 1 297.355 -0.710 20 0 CBADMP CC[C@H](C)[C@@H]([NH2+]C)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874397 825118948 /nfs/dbraw/zinc/11/89/48/825118948.db2.gz IHYMGNMQQBPBQE-CMPLNLGQSA-N 2 1 270.377 -0.832 20 0 CBADMP Nc1ccc([C@H](CCO)NC(=O)[C@@H]([NH3+])CC[NH3+])cc1 ZINC001220955088 825128399 /nfs/dbraw/zinc/12/83/99/825128399.db2.gz CRHHXYIMVRCAAQ-RYUDHWBXSA-N 2 1 266.345 -0.515 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220980911 825131565 /nfs/dbraw/zinc/13/15/65/825131565.db2.gz BJMPDLGUKQZIRD-MJBXVCDLSA-N 2 1 299.415 -0.476 20 0 CBADMP O=C(NCc1[nH+]cn2ccccc12)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001221007590 825133916 /nfs/dbraw/zinc/13/39/16/825133916.db2.gz ADDQMZFUESIMOL-XHDPSFHLSA-N 2 1 285.351 -0.098 20 0 CBADMP O=C(NCc1[nH+]cn2ccccc12)[C@@H]1C[NH2+]C[C@@H]1O ZINC001221007875 825135862 /nfs/dbraw/zinc/13/58/62/825135862.db2.gz GNAUVSJNPLLYID-SKDRFNHKSA-N 2 1 260.297 -0.469 20 0 CBADMP O=C(NCc1[nH+]cn2ccccc12)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221008705 825135867 /nfs/dbraw/zinc/13/58/67/825135867.db2.gz YHTFOVSBSJIGNB-LLVKDONJSA-N 3 1 285.351 -0.241 20 0 CBADMP O=C(NCc1[nH+]cn2ccccc12)[C@@H]1C[NH2+]CCN1 ZINC001221008277 825135897 /nfs/dbraw/zinc/13/58/97/825135897.db2.gz PURDNAPUYSOSGX-NSHDSACASA-N 2 1 259.313 -0.488 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081466 825142256 /nfs/dbraw/zinc/14/22/56/825142256.db2.gz NJOMCXARGOMNGG-MCIONIFRSA-N 2 1 299.415 -0.596 20 0 CBADMP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089285 825143732 /nfs/dbraw/zinc/14/37/32/825143732.db2.gz BPMMYOLLZGENGZ-XQQFMLRXSA-N 2 1 287.404 -0.477 20 0 CBADMP CO[C@@H](C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089285 825143738 /nfs/dbraw/zinc/14/37/38/825143738.db2.gz BPMMYOLLZGENGZ-XQQFMLRXSA-N 2 1 287.404 -0.477 20 0 CBADMP CO[C@@H](C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089285 825143741 /nfs/dbraw/zinc/14/37/41/825143741.db2.gz BPMMYOLLZGENGZ-XQQFMLRXSA-N 2 1 287.404 -0.477 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1cc(OCC2CC2)ncn1 ZINC001221157338 825148254 /nfs/dbraw/zinc/14/82/54/825148254.db2.gz FTMXNXQVSICHFH-NSHDSACASA-N 2 1 279.344 -0.442 20 0 CBADMP CC(C)(C)[NH+]1CC(NC(=O)C2(N)CC[NH2+]CC2)C1 ZINC001221194052 825152457 /nfs/dbraw/zinc/15/24/57/825152457.db2.gz KEZPVYNHLFYOAR-UHFFFAOYSA-N 2 1 254.378 -0.334 20 0 CBADMP CC(C)(C)[NH+]1CC(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221194084 825152876 /nfs/dbraw/zinc/15/28/76/825152876.db2.gz LKZDULSYIWFUKL-GFCCVEGCSA-N 3 1 268.405 -0.088 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001221241085 825158264 /nfs/dbraw/zinc/15/82/64/825158264.db2.gz NIOATFLQSLAXKD-XBFCOCLRSA-N 2 1 266.389 -0.462 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001221240949 825158636 /nfs/dbraw/zinc/15/86/36/825158636.db2.gz IKQIBHOADLKQBF-JQWIXIFHSA-N 2 1 257.334 -0.523 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N[C@@]1(C)CCC[N@H+](C)C1 ZINC001221240949 825158638 /nfs/dbraw/zinc/15/86/38/825158638.db2.gz IKQIBHOADLKQBF-JQWIXIFHSA-N 2 1 257.334 -0.523 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001221241244 825158771 /nfs/dbraw/zinc/15/87/71/825158771.db2.gz QZQWTGQWZPDSKX-AAEUAGOBSA-N 3 1 266.389 -0.604 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001221243509 825161021 /nfs/dbraw/zinc/16/10/21/825161021.db2.gz JUHSPHRUMHNWGI-CHWSQXEVSA-N 2 1 254.378 -0.332 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001221254352 825161474 /nfs/dbraw/zinc/16/14/74/825161474.db2.gz MEDOFIMKBGOSBD-FIQHERPVSA-N 2 1 252.362 -0.996 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC(O)CC2)C1 ZINC001221254203 825161638 /nfs/dbraw/zinc/16/16/38/825161638.db2.gz JKPCXRBSQCHYIJ-WTIISPKJSA-N 2 1 269.389 -0.067 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001221253965 825161699 /nfs/dbraw/zinc/16/16/99/825161699.db2.gz CMYWEFDLFYNTOM-WGBDABJCSA-N 2 1 252.362 -0.724 20 0 CBADMP C[N@@H+]1CC[C@@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C1 ZINC001221253965 825161701 /nfs/dbraw/zinc/16/17/01/825161701.db2.gz CMYWEFDLFYNTOM-WGBDABJCSA-N 2 1 252.362 -0.724 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C1 ZINC001221253965 825161705 /nfs/dbraw/zinc/16/17/05/825161705.db2.gz CMYWEFDLFYNTOM-WGBDABJCSA-N 2 1 252.362 -0.724 20 0 CBADMP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221253927 825162600 /nfs/dbraw/zinc/16/26/00/825162600.db2.gz BUWIPJZKSXYNRS-JQWIXIFHSA-N 2 1 265.361 -0.642 20 0 CBADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)NCCCC[NH3+])C1 ZINC001221348150 825175223 /nfs/dbraw/zinc/17/52/23/825175223.db2.gz UXSGFVYKICOJQE-LLVKDONJSA-N 2 1 256.394 -0.086 20 0 CBADMP COC(=O)C12CCC(NC(=O)[C@@H]([NH3+])CC[NH3+])(CC1)C2 ZINC001221366557 825176304 /nfs/dbraw/zinc/17/63/04/825176304.db2.gz QHIFOWWNLIVJET-ALXWSUNGSA-N 2 1 269.345 -0.345 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCOc1ccncc1 ZINC001221394195 825181899 /nfs/dbraw/zinc/18/18/99/825181899.db2.gz YFRVDRCLZFDKFR-UHFFFAOYSA-N 2 1 278.356 -0.082 20 0 CBADMP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@H]1COCC[NH2+]1 ZINC001221409608 825185360 /nfs/dbraw/zinc/18/53/60/825185360.db2.gz NYJUSZSSMZTDFB-NWDGAFQWSA-N 2 1 253.346 -0.521 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221410143 825185478 /nfs/dbraw/zinc/18/54/78/825185478.db2.gz QAXAFOYLNMGZDA-OAHLLOKOSA-N 3 1 280.416 -0.168 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)[C@H](C)C1 ZINC001221409894 825185899 /nfs/dbraw/zinc/18/58/99/825185899.db2.gz VLYXPNZIGUPLRY-VOAKCMCISA-N 2 1 269.389 -0.056 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@H](O)C[NH3+])[C@H](C)C1 ZINC001221409971 825186051 /nfs/dbraw/zinc/18/60/51/825186051.db2.gz WCZYOOXANZLJFY-WOPDTQHZSA-N 2 1 257.378 -0.069 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)C1 ZINC001221415027 825187685 /nfs/dbraw/zinc/18/76/85/825187685.db2.gz WBYZVHCCHPMEAU-SRVKXCTJSA-N 2 1 252.362 -0.820 20 0 CBADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221950609 825198203 /nfs/dbraw/zinc/19/82/03/825198203.db2.gz PGFIGKCKUSIERS-CHWSQXEVSA-N 2 1 285.388 -0.910 20 0 CBADMP Nc1nccnc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222502637 825213076 /nfs/dbraw/zinc/21/30/76/825213076.db2.gz OWYMJQWNWMUJGW-JQWIXIFHSA-N 2 1 262.361 -0.415 20 0 CBADMP C[NH+]1CCN(C(=O)CO[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001222536859 825214059 /nfs/dbraw/zinc/21/40/59/825214059.db2.gz HXJFWJZLVGHNOC-ZDUSSCGKSA-N 2 1 267.373 -0.129 20 0 CBADMP O=C1NCC[C@@]12C[N@@H+](CCCCCO)CC21C[NH2+]C1 ZINC001222520858 825214179 /nfs/dbraw/zinc/21/41/79/825214179.db2.gz LWGQXMYGWNGCSN-CQSZACIVSA-N 2 1 267.373 -0.440 20 0 CBADMP Nc1[nH]c(CN2CCNC[C@@]3(CCCC[NH2+]3)C2)c[nH+]1 ZINC001222690923 825220862 /nfs/dbraw/zinc/22/08/62/825220862.db2.gz AMNKNSWUJDZXIF-ZDUSSCGKSA-N 2 1 264.377 -0.091 20 0 CBADMP Nc1[nH]cc(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)[nH+]1 ZINC001222690923 825220867 /nfs/dbraw/zinc/22/08/67/825220867.db2.gz AMNKNSWUJDZXIF-ZDUSSCGKSA-N 2 1 264.377 -0.091 20 0 CBADMP C([C@H]1C[NH2+]CCO1)N1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001222666268 825221039 /nfs/dbraw/zinc/22/10/39/825221039.db2.gz ANNBWHSJFPTERM-ZIAGYGMSSA-N 2 1 268.405 -0.608 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223431354 825230744 /nfs/dbraw/zinc/23/07/44/825230744.db2.gz YHEWCGCTHXTDSC-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225525786 825259181 /nfs/dbraw/zinc/25/91/81/825259181.db2.gz VCVQAXHTAWLSIX-MCIONIFRSA-N 2 1 299.415 -0.020 20 0 CBADMP COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225525786 825259192 /nfs/dbraw/zinc/25/91/92/825259192.db2.gz VCVQAXHTAWLSIX-MCIONIFRSA-N 2 1 299.415 -0.020 20 0 CBADMP C[NH+](C)CCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001228991993 825327169 /nfs/dbraw/zinc/32/71/69/825327169.db2.gz LFVDBRGSKJWOJY-UHFFFAOYSA-N 2 1 256.350 -0.996 20 0 CBADMP CC[NH+](CC)CC(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001229663888 825333699 /nfs/dbraw/zinc/33/36/99/825333699.db2.gz JCWINAWPIWGCIF-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@H+](C)CCC(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001229896115 825339618 /nfs/dbraw/zinc/33/96/18/825339618.db2.gz URYZNXRPLNCJJS-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001229896115 825339625 /nfs/dbraw/zinc/33/96/25/825339625.db2.gz URYZNXRPLNCJJS-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCOCCO)CC2)C1 ZINC001230262569 825345191 /nfs/dbraw/zinc/34/51/91/825345191.db2.gz GOPPCYKTAONNLG-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP c1nc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc2c1OCCO2 ZINC001234989412 825479640 /nfs/dbraw/zinc/47/96/40/825479640.db2.gz PCFGSWKGNHJZMI-OAHLLOKOSA-N 2 1 290.367 -0.010 20 0 CBADMP C(CC1OCCO1)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234980275 825480025 /nfs/dbraw/zinc/48/00/25/825480025.db2.gz JLMLQOPIJSIFQZ-CYBMUJFWSA-N 2 1 255.362 -0.223 20 0 CBADMP [NH3+]C12CC(CCN3CC[NH2+]C[C@]34CC[NH2+]C4)(C1)C2 ZINC001234982913 825480638 /nfs/dbraw/zinc/48/06/38/825480638.db2.gz WXYJUSUIXDBFGB-JXQTWKCFSA-N 3 1 250.390 -0.105 20 0 CBADMP c1c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)nc2cnccn12 ZINC001234985918 825480773 /nfs/dbraw/zinc/48/07/73/825480773.db2.gz HLZYCMZYVYYXEN-AWEZNQCLSA-N 2 1 272.356 -0.133 20 0 CBADMP c1c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)nc2cnccn12 ZINC001234985921 825480986 /nfs/dbraw/zinc/48/09/86/825480986.db2.gz HLZYCMZYVYYXEN-CQSZACIVSA-N 2 1 272.356 -0.133 20 0 CBADMP [NH3+]C12CC(CC[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)(C1)C2 ZINC001235051680 825483482 /nfs/dbraw/zinc/48/34/82/825483482.db2.gz AAVLPYZXRKQQGP-JXQTWKCFSA-N 3 1 250.390 -0.105 20 0 CBADMP [NH3+]C12CC(CCN3CCN[C@@]4(CC[NH2+]C4)C3)(C1)C2 ZINC001235051680 825483484 /nfs/dbraw/zinc/48/34/84/825483484.db2.gz AAVLPYZXRKQQGP-JXQTWKCFSA-N 2 1 250.390 -0.105 20 0 CBADMP C(CC1OCCO1)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235050022 825483922 /nfs/dbraw/zinc/48/39/22/825483922.db2.gz BKJUZMHWSFHVKY-ZDUSSCGKSA-N 2 1 255.362 -0.223 20 0 CBADMP C(CC1OCCO1)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235050022 825483927 /nfs/dbraw/zinc/48/39/27/825483927.db2.gz BKJUZMHWSFHVKY-ZDUSSCGKSA-N 2 1 255.362 -0.223 20 0 CBADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235055353 825484967 /nfs/dbraw/zinc/48/49/67/825484967.db2.gz VFTPJKQXVKOSPK-CYBMUJFWSA-N 2 1 279.344 -0.666 20 0 CBADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235055353 825484972 /nfs/dbraw/zinc/48/49/72/825484972.db2.gz VFTPJKQXVKOSPK-CYBMUJFWSA-N 2 1 279.344 -0.666 20 0 CBADMP CC(=O)N1CCC[C@@H](C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001235053528 825485660 /nfs/dbraw/zinc/48/56/60/825485660.db2.gz UJNRSLFKXKEWQD-LSDHHAIUSA-N 2 1 280.416 -0.118 20 0 CBADMP CC(=O)N1CCC(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001235056061 825485704 /nfs/dbraw/zinc/48/57/04/825485704.db2.gz VPNLGOIBZHVCTC-OAHLLOKOSA-N 2 1 280.416 -0.118 20 0 CBADMP CC(=O)N1CCC(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001235056057 825485850 /nfs/dbraw/zinc/48/58/50/825485850.db2.gz VPNLGOIBZHVCTC-HNNXBMFYSA-N 2 1 280.416 -0.118 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235193420 825488992 /nfs/dbraw/zinc/48/89/92/825488992.db2.gz KUYGNVKKIXTYMU-PRFQISJJSA-N 2 1 298.383 -0.235 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235193420 825488996 /nfs/dbraw/zinc/48/89/96/825488996.db2.gz KUYGNVKKIXTYMU-PRFQISJJSA-N 2 1 298.383 -0.235 20 0 CBADMP COCCN1CC[N@H+](C)C2(CCN(CC[NH3+])CC2)C1=O ZINC001235456000 825495726 /nfs/dbraw/zinc/49/57/26/825495726.db2.gz ZMDDHZNLLLMRJU-UHFFFAOYSA-N 2 1 284.404 -0.800 20 0 CBADMP COCCN1CC[N@@H+](C)C2(CCN(CC[NH3+])CC2)C1=O ZINC001235456000 825495729 /nfs/dbraw/zinc/49/57/29/825495729.db2.gz ZMDDHZNLLLMRJU-UHFFFAOYSA-N 2 1 284.404 -0.800 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)CCN1 ZINC001235447657 825496689 /nfs/dbraw/zinc/49/66/89/825496689.db2.gz ZNMASDMSIRFAOU-AXFHLTTASA-N 2 1 291.342 -0.076 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)CCN1 ZINC001235447657 825496692 /nfs/dbraw/zinc/49/66/92/825496692.db2.gz ZNMASDMSIRFAOU-AXFHLTTASA-N 2 1 291.342 -0.076 20 0 CBADMP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1CC[NH3+] ZINC001235496185 825497741 /nfs/dbraw/zinc/49/77/41/825497741.db2.gz WDHKJJDTWXFKJJ-TZMCWYRMSA-N 2 1 285.388 -0.327 20 0 CBADMP C[N@H+](C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O)C1CC[NH2+]CC1 ZINC001235473203 825498380 /nfs/dbraw/zinc/49/83/80/825498380.db2.gz MZFPMYOOLKAIGU-RNJOBUHISA-N 2 1 286.372 -0.093 20 0 CBADMP C[N@@H+](C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O)C1CC[NH2+]CC1 ZINC001235473203 825498385 /nfs/dbraw/zinc/49/83/85/825498385.db2.gz MZFPMYOOLKAIGU-RNJOBUHISA-N 2 1 286.372 -0.093 20 0 CBADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+](CCCC[NH3+])C2 ZINC001235540518 825501688 /nfs/dbraw/zinc/50/16/88/825501688.db2.gz IELXFWHNAZGPEY-HIFRSBDPSA-N 2 1 299.415 -0.222 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](CCO)CC2)C1 ZINC001235582226 825505332 /nfs/dbraw/zinc/50/53/32/825505332.db2.gz SCIAFVUZYRZUHR-UHFFFAOYSA-N 2 1 299.415 -0.519 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](CCO)CC2)C1 ZINC001235582226 825505333 /nfs/dbraw/zinc/50/53/33/825505333.db2.gz SCIAFVUZYRZUHR-UHFFFAOYSA-N 2 1 299.415 -0.519 20 0 CBADMP C[NH+]1CCN(c2ncnc3c2CCN(CC[NH3+])CC3)CC1 ZINC001235636688 825509123 /nfs/dbraw/zinc/50/91/23/825509123.db2.gz HWFWYXWOVALDOP-UHFFFAOYSA-N 2 1 290.415 -0.412 20 0 CBADMP Nc1cccc(C[NH+]2CCNCC[NH2+]CCNCC2)c1 ZINC001235869517 825515160 /nfs/dbraw/zinc/51/51/60/825515160.db2.gz DRJKMHJAXCEIPJ-UHFFFAOYSA-N 2 1 277.416 -0.147 20 0 CBADMP C[NH+]1CCC(C)(C[NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001235869078 825515503 /nfs/dbraw/zinc/51/55/03/825515503.db2.gz JKLYXXYVEGVUBM-UHFFFAOYSA-N 3 1 297.491 -0.197 20 0 CBADMP CCOC(C)(C)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868114 825515804 /nfs/dbraw/zinc/51/58/04/825515804.db2.gz AICCHWFXYBHKPW-UHFFFAOYSA-N 2 1 272.437 -0.114 20 0 CBADMP COCCCC[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235871532 825516705 /nfs/dbraw/zinc/51/67/05/825516705.db2.gz UWFAAVPGDAPBOD-UHFFFAOYSA-N 2 1 258.410 -0.503 20 0 CBADMP [NH3+]CCCCCN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871680 825516974 /nfs/dbraw/zinc/51/69/74/825516974.db2.gz VXYRPKXBDSELQL-UHFFFAOYSA-N 3 1 257.426 -0.800 20 0 CBADMP 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 825519263 /nfs/dbraw/zinc/51/92/63/825519263.db2.gz FZPCYYDCQMNNCX-SSZWKKLZSA-N 3 1 293.411 -0.074 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](CCN(C)C)C[C@H]1C2 ZINC001236024056 825519420 /nfs/dbraw/zinc/51/94/20/825519420.db2.gz QPHGWIYCCJKRGX-COMQUAJESA-N 2 1 281.400 -0.122 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](CCO)C[C@H]1C2 ZINC001236021928 825519666 /nfs/dbraw/zinc/51/96/66/825519666.db2.gz KFKFWRDMCMMSEY-XZUYRWCXSA-N 2 1 254.330 -0.691 20 0 CBADMP Cc1ncc(CO)c(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1O ZINC001235993705 825520161 /nfs/dbraw/zinc/52/01/61/825520161.db2.gz JSKKCXJIJHZIJL-ONXXMXGDSA-N 2 1 293.367 -0.007 20 0 CBADMP Cc1ncc(CO)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1O ZINC001235993705 825520168 /nfs/dbraw/zinc/52/01/68/825520168.db2.gz JSKKCXJIJHZIJL-ONXXMXGDSA-N 2 1 293.367 -0.007 20 0 CBADMP COC(=O)[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236272918 825525298 /nfs/dbraw/zinc/52/52/98/825525298.db2.gz AHYSHGNWZVJFEM-SDDRHHMPSA-N 2 1 285.388 -0.077 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cnc2n1CC[NH2+]C2 ZINC001236202295 825525951 /nfs/dbraw/zinc/52/59/51/825525951.db2.gz PXCPLPHKVWYXKL-ONGXEEELSA-N 2 1 279.344 -0.939 20 0 CBADMP COC(=O)[C@H]1C[N@H+](CCCC[NH3+])CCN1C(C)=O ZINC001236528839 825531761 /nfs/dbraw/zinc/53/17/61/825531761.db2.gz TVCUYUQYRVCYLA-LLVKDONJSA-N 2 1 257.334 -0.569 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](CCCC[NH3+])CCN1C(C)=O ZINC001236528839 825531764 /nfs/dbraw/zinc/53/17/64/825531764.db2.gz TVCUYUQYRVCYLA-LLVKDONJSA-N 2 1 257.334 -0.569 20 0 CBADMP C[C@@H](N)C[N@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236399208 825531936 /nfs/dbraw/zinc/53/19/36/825531936.db2.gz NIQVEZPCAGMJEE-CQSZACIVSA-N 2 1 284.448 -0.033 20 0 CBADMP C[C@@H](N)C[N@@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236399208 825531943 /nfs/dbraw/zinc/53/19/43/825531943.db2.gz NIQVEZPCAGMJEE-CQSZACIVSA-N 2 1 284.448 -0.033 20 0 CBADMP CC1(C[NH3+])CN(C(=S)NCCC[NH+]2CCOCC2)C1 ZINC001239413547 825603790 /nfs/dbraw/zinc/60/37/90/825603790.db2.gz CSRSGOYQLZYZAU-UHFFFAOYSA-N 2 1 286.445 -0.136 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=S)NCCC[NH+]1CCOCC1 ZINC001239461945 825605449 /nfs/dbraw/zinc/60/54/49/825605449.db2.gz YSHSMVGYVHNJNW-NSHDSACASA-N 2 1 274.434 -0.138 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)CNC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245975647 825615915 /nfs/dbraw/zinc/61/59/15/825615915.db2.gz PLGVILOIOBLYPB-GMXVVIOVSA-N 2 1 277.384 -0.613 20 0 CBADMP O[C@@H](C[NH2+][C@H]1CCCNC1)CC1(O)CC[NH2+]CC1 ZINC001245978802 825616183 /nfs/dbraw/zinc/61/61/83/825616183.db2.gz FTEMQCWLKTZXAI-NWDGAFQWSA-N 2 1 257.378 -0.807 20 0 CBADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1C[NH2+]CCC1=O ZINC001245996033 825619917 /nfs/dbraw/zinc/61/99/17/825619917.db2.gz PVIKTLZEVDZSNO-GZBFAFLISA-N 2 1 277.368 -0.562 20 0 CBADMP [NH3+][C@H]1CCC[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246016725 825620528 /nfs/dbraw/zinc/62/05/28/825620528.db2.gz NGLNTHGHBTXFSP-QWHCGFSZSA-N 3 1 271.405 -0.335 20 0 CBADMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246016722 825621271 /nfs/dbraw/zinc/62/12/71/825621271.db2.gz NGLNTHGHBTXFSP-OLZOCXBDSA-N 3 1 271.405 -0.335 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@@H+](C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001246020878 825622165 /nfs/dbraw/zinc/62/21/65/825622165.db2.gz MRXMFBQDJJETKC-CHWSQXEVSA-N 3 1 257.378 -0.723 20 0 CBADMP [NH3+]C[C@@]1(O)CCCN(C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001246020878 825622169 /nfs/dbraw/zinc/62/21/69/825622169.db2.gz MRXMFBQDJJETKC-CHWSQXEVSA-N 2 1 257.378 -0.723 20 0 CBADMP [NH3+][C@@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC001246018969 825622187 /nfs/dbraw/zinc/62/21/87/825622187.db2.gz ZYFZUFLXSRCNFP-OLZOCXBDSA-N 2 1 257.378 -0.507 20 0 CBADMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001246018966 825622260 /nfs/dbraw/zinc/62/22/60/825622260.db2.gz ZYFZUFLXSRCNFP-CHWSQXEVSA-N 2 1 257.378 -0.507 20 0 CBADMP COc1cccc(OC[C@H](O)C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001246020213 825623052 /nfs/dbraw/zinc/62/30/52/825623052.db2.gz IJSJXFBMWXZUSD-ZOWXZIJZSA-N 2 1 296.367 -0.314 20 0 CBADMP COc1cccc(OC[C@H](O)C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001246020213 825623053 /nfs/dbraw/zinc/62/30/53/825623053.db2.gz IJSJXFBMWXZUSD-ZOWXZIJZSA-N 2 1 296.367 -0.314 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCC1(F)F ZINC001246018540 825623208 /nfs/dbraw/zinc/62/32/08/825623208.db2.gz DULGGMRDOLTKNT-VXGBXAGGSA-N 2 1 293.358 -0.405 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCC1(F)F ZINC001246018540 825623213 /nfs/dbraw/zinc/62/32/13/825623213.db2.gz DULGGMRDOLTKNT-VXGBXAGGSA-N 2 1 293.358 -0.405 20 0 CBADMP CC[NH+](CC)C[C@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246024691 825623859 /nfs/dbraw/zinc/62/38/59/825623859.db2.gz POJKIDZFVFXTOD-KKUMJFAQSA-N 3 1 284.448 -0.285 20 0 CBADMP CC(C)(C)OC(=O)[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246023029 825624372 /nfs/dbraw/zinc/62/43/72/825624372.db2.gz RTCQXVLQFRWTFM-RISCZKNCSA-N 2 1 288.388 -0.135 20 0 CBADMP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001246022080 825624473 /nfs/dbraw/zinc/62/44/73/825624473.db2.gz ZERFYIHTCXSZOY-UPJWGTAASA-N 2 1 257.378 -0.461 20 0 CBADMP CC(C)OC[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246023601 825624650 /nfs/dbraw/zinc/62/46/50/825624650.db2.gz SGLWMZIFMDZRMW-QWHCGFSZSA-N 2 1 260.378 -0.052 20 0 CBADMP [NH3+]C[C@]1(O)CCCC[N@H+](C[C@]2(O)CCC[NH2+]C2)C1 ZINC001246025089 825625468 /nfs/dbraw/zinc/62/54/68/825625468.db2.gz SGFPXCOFHJAHON-OLZOCXBDSA-N 3 1 257.378 -0.723 20 0 CBADMP [NH3+]C[C@]1(O)CCCC[N@@H+](C[C@]2(O)CCC[NH2+]C2)C1 ZINC001246025089 825625472 /nfs/dbraw/zinc/62/54/72/825625472.db2.gz SGFPXCOFHJAHON-OLZOCXBDSA-N 3 1 257.378 -0.723 20 0 CBADMP CC(C)OC[C@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246027562 825625593 /nfs/dbraw/zinc/62/55/93/825625593.db2.gz HTPBQFQKOQCMFV-CYBMUJFWSA-N 2 1 271.405 -0.200 20 0 CBADMP COc1cccc([C@H](O)C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001246025998 825625607 /nfs/dbraw/zinc/62/56/07/825625607.db2.gz YPXMDLUBKFVYRA-YUTCNCBUSA-N 2 1 266.341 -0.020 20 0 CBADMP COc1cccc([C@H](O)C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001246025998 825625611 /nfs/dbraw/zinc/62/56/11/825625611.db2.gz YPXMDLUBKFVYRA-YUTCNCBUSA-N 2 1 266.341 -0.020 20 0 CBADMP CC(C)OC[C@@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246027565 825626094 /nfs/dbraw/zinc/62/60/94/825626094.db2.gz HTPBQFQKOQCMFV-ZDUSSCGKSA-N 2 1 271.405 -0.200 20 0 CBADMP COc1cccc([C@H](O)C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001246025995 825626290 /nfs/dbraw/zinc/62/62/90/825626290.db2.gz YPXMDLUBKFVYRA-IACUBPJLSA-N 2 1 266.341 -0.020 20 0 CBADMP COc1cccc([C@H](O)C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001246025995 825626293 /nfs/dbraw/zinc/62/62/93/825626293.db2.gz YPXMDLUBKFVYRA-IACUBPJLSA-N 2 1 266.341 -0.020 20 0 CBADMP CC(C)OC[C@H](O)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246031007 825627794 /nfs/dbraw/zinc/62/77/94/825627794.db2.gz ZPTNZDGZOPQUQQ-OLZOCXBDSA-N 2 1 257.378 -0.590 20 0 CBADMP CC(C)OC[C@H](O)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246031007 825627796 /nfs/dbraw/zinc/62/77/96/825627796.db2.gz ZPTNZDGZOPQUQQ-OLZOCXBDSA-N 2 1 257.378 -0.590 20 0 CBADMP N[C@H]1C[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CCC1(F)F ZINC001246031068 825627823 /nfs/dbraw/zinc/62/78/23/825627823.db2.gz HMAQDZRSCWVCHV-MNOVXSKESA-N 2 1 293.358 -0.480 20 0 CBADMP N[C@H]1C[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CCC1(F)F ZINC001246031068 825627827 /nfs/dbraw/zinc/62/78/27/825627827.db2.gz HMAQDZRSCWVCHV-MNOVXSKESA-N 2 1 293.358 -0.480 20 0 CBADMP O[C@@H](CN1CCOCC1)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246054472 825630680 /nfs/dbraw/zinc/63/06/80/825630680.db2.gz ZQMNVHHUOHZZJV-ZNMIVQPWSA-N 2 1 283.416 -0.389 20 0 CBADMP C(CC[NH+]1CCNCC1)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246090397 825634706 /nfs/dbraw/zinc/63/47/06/825634706.db2.gz WZQZNJAEUSNUKU-CQSZACIVSA-N 3 1 281.448 -0.645 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H](C)C2)CN1 ZINC001246099124 825636196 /nfs/dbraw/zinc/63/61/96/825636196.db2.gz LNDWBQQIGVQIDT-WISYIIOYSA-N 2 1 255.362 -0.275 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)CN1 ZINC001246111957 825636443 /nfs/dbraw/zinc/63/64/43/825636443.db2.gz PSZAAHPPQSATQE-FIQHERPVSA-N 2 1 255.362 -0.132 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2C[NH2+]C3)CN1 ZINC001246124716 825637715 /nfs/dbraw/zinc/63/77/15/825637715.db2.gz BRBRSIIHWFNNKX-ZJQBRPOHSA-N 2 1 267.373 -0.131 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]C2)CN1 ZINC001246115976 825637974 /nfs/dbraw/zinc/63/79/74/825637974.db2.gz CUHHPOLVHKOHMP-UTUOFQBUSA-N 2 1 255.362 -0.131 20 0 CBADMP C([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001246141141 825640229 /nfs/dbraw/zinc/64/02/29/825640229.db2.gz COHMVANPWXOSMU-MGPQQGTHSA-N 3 1 269.389 -0.277 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CN1 ZINC001246145312 825641516 /nfs/dbraw/zinc/64/15/16/825641516.db2.gz MEDWIQIJWSWXFW-UPJWGTAASA-N 2 1 296.415 -0.646 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1 ZINC001246155949 825643171 /nfs/dbraw/zinc/64/31/71/825643171.db2.gz HPYWXBLETLFCBI-KNZXXDILSA-N 2 1 253.346 -0.238 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](n2cnc(C)c2CC[NH3+])C[NH2+]1 ZINC001246181151 825645788 /nfs/dbraw/zinc/64/57/88/825645788.db2.gz YROMJBNZNINBFG-ZJUUUORDSA-N 2 1 252.318 -0.231 20 0 CBADMP COC(=O)[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1CCOCC1 ZINC001246184277 825647273 /nfs/dbraw/zinc/64/72/73/825647273.db2.gz KKWGSWNRGGPRTP-STQMWFEESA-N 2 1 297.399 -0.362 20 0 CBADMP COC(=O)[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1CCOCC1 ZINC001246184273 825647490 /nfs/dbraw/zinc/64/74/90/825647490.db2.gz KKWGSWNRGGPRTP-CHWSQXEVSA-N 2 1 297.399 -0.362 20 0 CBADMP COC(=O)[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1CCOCC1 ZINC001246184274 825647493 /nfs/dbraw/zinc/64/74/93/825647493.db2.gz KKWGSWNRGGPRTP-OLZOCXBDSA-N 2 1 297.399 -0.362 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246214713 825651583 /nfs/dbraw/zinc/65/15/83/825651583.db2.gz RSLNBMCNVOKWSD-MBYGNEARSA-N 3 1 297.403 -0.336 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCO)CC2)CN1 ZINC001246228367 825654222 /nfs/dbraw/zinc/65/42/22/825654222.db2.gz FEQLHLVFHVPHAZ-STQMWFEESA-N 2 1 285.388 -0.674 20 0 CBADMP [NH3+][C@@H]1CCc2nn([C@H]3CC[NH2+]C4(CNC4)C3)cc2C1 ZINC001246241206 825655543 /nfs/dbraw/zinc/65/55/43/825655543.db2.gz YHVTZPWOSJSZGU-NEPJUHHUSA-N 2 1 261.373 -0.034 20 0 CBADMP CCOC(=O)CC1([NH2+][C@H]2CSC3(C[NH2+]C3)C2)CNC1 ZINC001246248101 825656395 /nfs/dbraw/zinc/65/63/95/825656395.db2.gz IRXIUZWXMUKJKK-SNVBAGLBSA-N 2 1 285.413 -0.281 20 0 CBADMP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001246302335 825661839 /nfs/dbraw/zinc/66/18/39/825661839.db2.gz DANOGJLWONNVQH-BJDJZHNGSA-N 2 1 266.349 -0.673 20 0 CBADMP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001246302336 825661913 /nfs/dbraw/zinc/66/19/13/825661913.db2.gz DANOGJLWONNVQH-QCNOEVLYSA-N 2 1 266.349 -0.673 20 0 CBADMP OC[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246300507 825661991 /nfs/dbraw/zinc/66/19/91/825661991.db2.gz RXSMIKNGWODAQI-RJZJGCCBSA-N 3 1 269.389 -0.543 20 0 CBADMP O=C(N1CCC([NH2+][C@H]2C[NH2+]C[C@H]2CO)CC1)C(F)(F)F ZINC001246299575 825662621 /nfs/dbraw/zinc/66/26/21/825662621.db2.gz MRIIXZFGHNUTSC-WPRPVWTQSA-N 2 1 295.305 -0.290 20 0 CBADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C(=O)OC)NC2)CC1 ZINC001246361522 825669381 /nfs/dbraw/zinc/66/93/81/825669381.db2.gz YDSTXBYLNKRIEM-KGLIPLIRSA-N 2 1 299.415 -0.020 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC2(C)C)CN1 ZINC001246373960 825670709 /nfs/dbraw/zinc/67/07/09/825670709.db2.gz SIGJALADLLMLQW-OUAUKWLOSA-N 2 1 255.362 -0.132 20 0 CBADMP CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC23C[NH2+]C3)CCN1 ZINC001246443040 825673049 /nfs/dbraw/zinc/67/30/49/825673049.db2.gz FPPIVPYWEWJPKP-DCAQKATOSA-N 2 1 253.346 -0.378 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]CCC[NH2+]CCCC[NH3+])CN1 ZINC001246457671 825675410 /nfs/dbraw/zinc/67/54/10/825675410.db2.gz PZEQDDVORWNOCT-NWDGAFQWSA-N 3 1 272.393 -0.802 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C2C[NH2+]C2)CN1 ZINC001246512799 825678141 /nfs/dbraw/zinc/67/81/41/825678141.db2.gz CEDNRVPTWLJYEA-SDDRHHMPSA-N 2 1 253.346 -0.523 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC([NH+](C)C)CC2)C[NH2+]1 ZINC001246520468 825679629 /nfs/dbraw/zinc/67/96/29/825679629.db2.gz JWXZPSMABNYQJV-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246524559 825680246 /nfs/dbraw/zinc/68/02/46/825680246.db2.gz GVIBWNACRMBHKQ-RYUDHWBXSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CN1 ZINC001246542514 825682370 /nfs/dbraw/zinc/68/23/70/825682370.db2.gz PTPLAGLHOMIFDL-QCNOEVLYSA-N 2 1 255.362 -0.193 20 0 CBADMP CN(C[C@H]1C[NH2+]CCO1)[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246547447 825682928 /nfs/dbraw/zinc/68/29/28/825682928.db2.gz IGKPQQBWEFBDRL-UPJWGTAASA-N 2 1 299.415 -0.021 20 0 CBADMP C[NH2+]C[C@H]1CCCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)C1 ZINC001246547751 825683204 /nfs/dbraw/zinc/68/32/04/825683204.db2.gz FZMHUFVHNGIQRM-WOPDTQHZSA-N 2 1 255.362 -0.179 20 0 CBADMP C[NH2+]C[C@@H]1CCCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)C1 ZINC001246547747 825683406 /nfs/dbraw/zinc/68/34/06/825683406.db2.gz FZMHUFVHNGIQRM-TUAOUCFPSA-N 2 1 255.362 -0.179 20 0 CBADMP OC[C@@H]1C[C@H](F)C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246553472 825685053 /nfs/dbraw/zinc/68/50/53/825685053.db2.gz YFTYRRPJQOGTNS-GRYCIOLGSA-N 2 1 257.353 -0.267 20 0 CBADMP C[N@@H+](C[C@@H]1CNCCO1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246556056 825685178 /nfs/dbraw/zinc/68/51/78/825685178.db2.gz HMNUAIAFLQOQCM-NEPJUHHUSA-N 2 1 254.378 -0.999 20 0 CBADMP CCOC(=O)CN1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246561520 825686050 /nfs/dbraw/zinc/68/60/50/825686050.db2.gz UZOXJRHNMFKXRZ-CHWSQXEVSA-N 2 1 285.388 -0.592 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2CCC(F)(F)[C@H](C[NH3+])C2)C[NH2+]1 ZINC001246565829 825686183 /nfs/dbraw/zinc/68/61/83/825686183.db2.gz ZSTKCJZFXLNEGP-KXUCPTDWSA-N 2 1 277.315 -0.194 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N2CCCC[C@@](O)(C[NH3+])C2)C[NH2+]1 ZINC001246565139 825686480 /nfs/dbraw/zinc/68/64/80/825686480.db2.gz YGXNTPFINDPDGV-BPLDGKMQSA-N 2 1 299.415 -0.154 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2CC[NH2+][C@H](C)C2)C[NH2+]1 ZINC001246570586 825687445 /nfs/dbraw/zinc/68/74/45/825687445.db2.gz BFRAJXKXLXIXGD-NTZNESFSSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N2CC[C@@H](O)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246573834 825687939 /nfs/dbraw/zinc/68/79/39/825687939.db2.gz NCHWTPLQSWLPMR-PRULPYPASA-N 2 1 271.361 -0.936 20 0 CBADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CC[C@@H]([NH3+])[C@H](O)C2)C[NH2+]1 ZINC001246573016 825688069 /nfs/dbraw/zinc/68/80/69/825688069.db2.gz YNIJHHJOMHLCIY-WISYIIOYSA-N 2 1 285.388 -0.548 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCN(C3CC3)C(=O)C2)C[C@@H]1O ZINC001246578978 825689247 /nfs/dbraw/zinc/68/92/47/825689247.db2.gz DJGUMKBAACKLMI-WCQGTBRESA-N 2 1 253.346 -0.609 20 0 CBADMP CCOC(=O)N1CC[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246576124 825689506 /nfs/dbraw/zinc/68/95/06/825689506.db2.gz FCRNSLTVLNDPEE-HBNTYKKESA-N 2 1 257.334 -0.531 20 0 CBADMP CCOC(=O)N1CC[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246576124 825689510 /nfs/dbraw/zinc/68/95/10/825689510.db2.gz FCRNSLTVLNDPEE-HBNTYKKESA-N 2 1 257.334 -0.531 20 0 CBADMP CCOC(=O)[C@H]1CC[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CO1 ZINC001246578854 825689565 /nfs/dbraw/zinc/68/95/65/825689565.db2.gz CXHJAUFOCWLSNP-FIQHERPVSA-N 2 1 272.345 -0.652 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C2CCN(c3ncccn3)CC2)C[C@H]1O ZINC001246582950 825690102 /nfs/dbraw/zinc/69/01/02/825690102.db2.gz HQUJHBGGOIMNBY-WCQYABFASA-N 2 1 277.372 -0.303 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246585207 825690085 /nfs/dbraw/zinc/69/00/85/825690085.db2.gz NETQMOQDPJUOGV-WRWGMCAJSA-N 2 1 256.346 -0.030 20 0 CBADMP COC(=O)[C@@H]1C[C@H](n2cnc3c2C[NH2+]CC3)C[NH2+]1 ZINC001246581129 825690605 /nfs/dbraw/zinc/69/06/05/825690605.db2.gz PRECZAHWTZPYQC-WPRPVWTQSA-N 2 1 250.302 -0.395 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246580669 825690614 /nfs/dbraw/zinc/69/06/14/825690614.db2.gz NETQMOQDPJUOGV-RHYQMDGZSA-N 2 1 256.346 -0.030 20 0 CBADMP N[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1F ZINC001246583641 825690765 /nfs/dbraw/zinc/69/07/65/825690765.db2.gz IAQUDPJZUUMNNR-IJLUTSLNSA-N 2 1 256.369 -0.158 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1F ZINC001246583641 825690770 /nfs/dbraw/zinc/69/07/70/825690770.db2.gz IAQUDPJZUUMNNR-IJLUTSLNSA-N 3 1 256.369 -0.158 20 0 CBADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1F ZINC001246583641 825690774 /nfs/dbraw/zinc/69/07/74/825690774.db2.gz IAQUDPJZUUMNNR-IJLUTSLNSA-N 3 1 256.369 -0.158 20 0 CBADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2C[C@@H](O)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246580679 825690845 /nfs/dbraw/zinc/69/08/45/825690845.db2.gz NKPZEVRYLMPYFB-FIQHERPVSA-N 2 1 285.388 -0.690 20 0 CBADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2C[C@@H](O)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246580680 825691574 /nfs/dbraw/zinc/69/15/74/825691574.db2.gz NKPZEVRYLMPYFB-WHOHXGKFSA-N 2 1 285.388 -0.690 20 0 CBADMP COC(=O)C1C[C@@H]2CC([N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246582320 825691278 /nfs/dbraw/zinc/69/12/78/825691278.db2.gz WNQXJWCVVQNZRF-AHMGJCLSSA-N 3 1 297.399 -0.690 20 0 CBADMP COC(=O)C1C[C@@H]2CC([N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246582320 825691282 /nfs/dbraw/zinc/69/12/82/825691282.db2.gz WNQXJWCVVQNZRF-AHMGJCLSSA-N 3 1 297.399 -0.690 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CN1 ZINC001246593699 825692036 /nfs/dbraw/zinc/69/20/36/825692036.db2.gz HOHWNAQXZSJOAY-STQMWFEESA-N 2 1 296.415 -0.693 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CN1 ZINC001246593699 825692040 /nfs/dbraw/zinc/69/20/40/825692040.db2.gz HOHWNAQXZSJOAY-STQMWFEESA-N 2 1 296.415 -0.693 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C[NH2+]CCO3)CN1 ZINC001246603232 825693886 /nfs/dbraw/zinc/69/38/86/825693886.db2.gz NGDZOTFXOZTKSJ-NEPJUHHUSA-N 2 1 283.372 -0.656 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@]3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246599212 825693979 /nfs/dbraw/zinc/69/39/79/825693979.db2.gz BDQULJWEMFRGEE-MBNYWOFBSA-N 2 1 267.373 -0.035 20 0 CBADMP C1C[C@@]2(CCC[NH2+]C2)[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599418 825694566 /nfs/dbraw/zinc/69/45/66/825694566.db2.gz CQPJYYDACLGGIC-GXTWGEPZSA-N 3 1 250.390 -0.092 20 0 CBADMP C1C[C@@]2(CCC[NH2+]C2)[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599418 825694569 /nfs/dbraw/zinc/69/45/69/825694569.db2.gz CQPJYYDACLGGIC-GXTWGEPZSA-N 3 1 250.390 -0.092 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@@]3(CCC[NH2+]3)C2)C[NH2+]1 ZINC001246613926 825695308 /nfs/dbraw/zinc/69/53/08/825695308.db2.gz LQODJYNEOWDNQW-MDZLAQPJSA-N 2 1 253.346 -0.282 20 0 CBADMP C1C[C@]2(CCC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)[NH2+]1 ZINC001246613906 825695355 /nfs/dbraw/zinc/69/53/55/825695355.db2.gz RNKSAFXCYZBCQX-OLZOCXBDSA-N 3 1 250.390 -0.092 20 0 CBADMP C1C[C@]2(CCC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)[NH2+]1 ZINC001246613906 825695360 /nfs/dbraw/zinc/69/53/60/825695360.db2.gz RNKSAFXCYZBCQX-OLZOCXBDSA-N 3 1 250.390 -0.092 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246609576 825695898 /nfs/dbraw/zinc/69/58/98/825695898.db2.gz ZPCOFGOHDXABRH-MNOVXSKESA-N 2 1 253.346 -0.425 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246625006 825696323 /nfs/dbraw/zinc/69/63/23/825696323.db2.gz QORGSYKEEDTQKR-WHOHXGKFSA-N 2 1 253.346 -0.426 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@@H+]1CCO[C@@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246622751 825696703 /nfs/dbraw/zinc/69/67/03/825696703.db2.gz RVTQKUIJGSMYBR-UKRRQHHQSA-N 3 1 280.416 -0.465 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCO[C@@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246622751 825696705 /nfs/dbraw/zinc/69/67/05/825696705.db2.gz RVTQKUIJGSMYBR-UKRRQHHQSA-N 3 1 280.416 -0.465 20 0 CBADMP C1C[C@@]2(C[NH2+]1)C[NH2+]CCN2C1CCC2(CC1)C[NH2+]CCO2 ZINC001246622087 825696746 /nfs/dbraw/zinc/69/67/46/825696746.db2.gz GFPATONDGMPQEU-HWOWSKLDSA-N 3 1 294.443 -0.075 20 0 CBADMP CC(=O)N1CCC(N2CC[NH2+]C[C@]23CC[NH2+]C3)CC1 ZINC001246623877 825696796 /nfs/dbraw/zinc/69/67/96/825696796.db2.gz LOEMCGVDIJHMHX-CQSZACIVSA-N 2 1 266.389 -0.365 20 0 CBADMP CC(=O)N1CCC(N2CC[NH2+]C[C@@]23CC[NH2+]C3)CC1 ZINC001246623876 825696802 /nfs/dbraw/zinc/69/68/02/825696802.db2.gz LOEMCGVDIJHMHX-AWEZNQCLSA-N 2 1 266.389 -0.365 20 0 CBADMP O=C1CC[C@@H]2C[C@H](N3CC[NH2+]C[C@]34CC[NH2+]C4)CCN12 ZINC001246623652 825696810 /nfs/dbraw/zinc/69/68/10/825696810.db2.gz BEKVFMANBQXHKQ-UMVBOHGHSA-N 2 1 278.400 -0.223 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246631398 825697822 /nfs/dbraw/zinc/69/78/22/825697822.db2.gz SJMCFDQSTSEISG-ZDEQEGDKSA-N 2 1 267.373 -0.036 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)CN1 ZINC001246630952 825697843 /nfs/dbraw/zinc/69/78/43/825697843.db2.gz QECBUZCMWUXMJX-IPYPFGDCSA-N 2 1 296.415 -0.693 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCO[C@@H]3C[NH2+]CC[C@@H]3C1)CCN2 ZINC001246630705 825698259 /nfs/dbraw/zinc/69/82/59/825698259.db2.gz KUGOZJMJDMHFJP-HZSPNIEDSA-N 3 1 280.416 -0.609 20 0 CBADMP CC(=O)N1CC[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001246632901 825699841 /nfs/dbraw/zinc/69/98/41/825699841.db2.gz XMXZVDSUEMAAEQ-STQMWFEESA-N 2 1 252.362 -0.756 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH+]2CC3(C2)CC[NH2+]CC3)CN1 ZINC001246641219 825701246 /nfs/dbraw/zinc/70/12/46/825701246.db2.gz WSNJFRJUBIPNMQ-QWRGUYRKSA-N 2 1 253.346 -0.425 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246641219 825701249 /nfs/dbraw/zinc/70/12/49/825701249.db2.gz WSNJFRJUBIPNMQ-QWRGUYRKSA-N 2 1 253.346 -0.425 20 0 CBADMP O=C1CC[C@@H]2C[C@@H]([N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)CCN12 ZINC001246645324 825702127 /nfs/dbraw/zinc/70/21/27/825702127.db2.gz UHNWDHSDBWJNIH-GZBFAFLISA-N 2 1 278.400 -0.223 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCOC[C@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246645365 825702304 /nfs/dbraw/zinc/70/23/04/825702304.db2.gz KOSVQMLBVASUNC-CABCVRRESA-N 3 1 294.443 -0.218 20 0 CBADMP C1[NH2+]CC12C[C@H](N1CCOC[C@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246645365 825702307 /nfs/dbraw/zinc/70/23/07/825702307.db2.gz KOSVQMLBVASUNC-CABCVRRESA-N 2 1 294.443 -0.218 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CS2 ZINC001246646100 825702491 /nfs/dbraw/zinc/70/24/91/825702491.db2.gz WKGWNFWTVMLSBR-VXGBXAGGSA-N 3 1 268.430 -0.529 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1CCN[C@@]3(CC[NH2+]C3)C1)CS2 ZINC001246646100 825702499 /nfs/dbraw/zinc/70/24/99/825702499.db2.gz WKGWNFWTVMLSBR-VXGBXAGGSA-N 2 1 268.430 -0.529 20 0 CBADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246660633 825703598 /nfs/dbraw/zinc/70/35/98/825703598.db2.gz FBFGCMQOGUKGDS-YRGRVCCFSA-N 3 1 250.390 -0.106 20 0 CBADMP N[C@@]12CCC[C@@H]1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246660633 825703604 /nfs/dbraw/zinc/70/36/04/825703604.db2.gz FBFGCMQOGUKGDS-YRGRVCCFSA-N 2 1 250.390 -0.106 20 0 CBADMP N[C@@]12CCC[C@@H]1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246660633 825703607 /nfs/dbraw/zinc/70/36/07/825703607.db2.gz FBFGCMQOGUKGDS-YRGRVCCFSA-N 2 1 250.390 -0.106 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@H]3CCC[NH2+][C@H]3C2)C[NH2+]1 ZINC001246657493 825704379 /nfs/dbraw/zinc/70/43/79/825704379.db2.gz MRPIRCFRUSSNDI-RHYQMDGZSA-N 2 1 253.346 -0.426 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246670856 825705189 /nfs/dbraw/zinc/70/51/89/825705189.db2.gz GEGYDWMJVGNTDQ-NOOOWODRSA-N 2 1 253.346 -0.426 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246670856 825705190 /nfs/dbraw/zinc/70/51/90/825705190.db2.gz GEGYDWMJVGNTDQ-NOOOWODRSA-N 2 1 253.346 -0.426 20 0 CBADMP O=C1NCC[C@]12CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246668822 825705456 /nfs/dbraw/zinc/70/54/56/825705456.db2.gz OPPYHGQGKGOOFB-DGCLKSJQSA-N 2 1 264.373 -0.708 20 0 CBADMP CCO[C@@H]1C[C@H]2CN([C@@H]3CCNC4(C[NH2+]C4)C3)CC[N@H+]2C1 ZINC001246737057 825709116 /nfs/dbraw/zinc/70/91/16/825709116.db2.gz AHYORNRPQLNBNW-QLFBSQMISA-N 2 1 294.443 -0.125 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCCC3(C[NH2+]C3)C2)C[NH2+]1 ZINC001246789096 825710937 /nfs/dbraw/zinc/71/09/37/825710937.db2.gz BCLRMBABEWUAPH-QWRGUYRKSA-N 2 1 253.346 -0.425 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC[C@H]2C[NH+](C)C)C[NH2+]1 ZINC001246795849 825711859 /nfs/dbraw/zinc/71/18/59/825711859.db2.gz HMAYVVKTJPFVKC-SRVKXCTJSA-N 2 1 255.362 -0.084 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@@H](N3CCOCC3)C1)CCN2 ZINC001246795833 825712040 /nfs/dbraw/zinc/71/20/40/825712040.db2.gz KKEJWKWFVZASBK-ZIAGYGMSSA-N 2 1 280.416 -0.513 20 0 CBADMP NC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246794045 825712222 /nfs/dbraw/zinc/71/22/22/825712222.db2.gz WFRAMQULKNTNRM-MNOVXSKESA-N 2 1 252.362 -0.580 20 0 CBADMP CCN([C@@H]1C[NH2+][C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246795848 825712312 /nfs/dbraw/zinc/71/23/12/825712312.db2.gz HLYQVTFCHCEVDV-RYUDHWBXSA-N 2 1 255.362 -0.036 20 0 CBADMP CS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246803130 825712753 /nfs/dbraw/zinc/71/27/53/825712753.db2.gz MJIPSLYHAXDDTB-GHMZBOCLSA-N 2 1 273.402 -0.801 20 0 CBADMP COC(=O)C[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246817445 825715187 /nfs/dbraw/zinc/71/51/87/825715187.db2.gz KVENWNAOMKHGHD-NWDGAFQWSA-N 2 1 283.372 -0.656 20 0 CBADMP O=C1OC[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246819933 825716471 /nfs/dbraw/zinc/71/64/71/825716471.db2.gz LGLPSVQIBWFSBL-WDEREUQCSA-N 2 1 266.345 -0.783 20 0 CBADMP CCOCC[C@H](C)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246819763 825716516 /nfs/dbraw/zinc/71/65/16/825716516.db2.gz IJNXALVLAYWECW-AWEZNQCLSA-N 2 1 272.437 -0.114 20 0 CBADMP COCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246837133 825718456 /nfs/dbraw/zinc/71/84/56/825718456.db2.gz QOEWWONLRRQNCT-CQSZACIVSA-N 3 1 282.432 -0.219 20 0 CBADMP O=C1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]2CCCN12 ZINC001246838577 825718620 /nfs/dbraw/zinc/71/86/20/825718620.db2.gz YMOLTIDMXCKVBM-NEPJUHHUSA-N 2 1 264.373 -0.613 20 0 CBADMP COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246839026 825718811 /nfs/dbraw/zinc/71/88/11/825718811.db2.gz AGEKZMLXCPVZAB-NNYUYHANSA-N 2 1 265.357 -0.569 20 0 CBADMP COCCN([C@@H]1C[NH2+][C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246838666 825719022 /nfs/dbraw/zinc/71/90/22/825719022.db2.gz ZSAMRHICTPFPQR-STQMWFEESA-N 2 1 285.388 -0.410 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N(C)C[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246839156 825719226 /nfs/dbraw/zinc/71/92/26/825719226.db2.gz BIZPTMWSVXXQDK-WOPDTQHZSA-N 2 1 255.362 -0.179 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])CN1 ZINC001246843559 825721306 /nfs/dbraw/zinc/72/13/06/825721306.db2.gz VDJUZAAWFDEHGH-PPCPHDFISA-N 2 1 267.373 -0.051 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])CN1 ZINC001246843559 825721310 /nfs/dbraw/zinc/72/13/10/825721310.db2.gz VDJUZAAWFDEHGH-PPCPHDFISA-N 2 1 267.373 -0.051 20 0 CBADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246843145 825721577 /nfs/dbraw/zinc/72/15/77/825721577.db2.gz UEYMPXPTYGHBOR-XQQFMLRXSA-N 3 1 250.390 -0.426 20 0 CBADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246843145 825721579 /nfs/dbraw/zinc/72/15/79/825721579.db2.gz UEYMPXPTYGHBOR-XQQFMLRXSA-N 3 1 250.390 -0.426 20 0 CBADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246843145 825721581 /nfs/dbraw/zinc/72/15/81/825721581.db2.gz UEYMPXPTYGHBOR-XQQFMLRXSA-N 3 1 250.390 -0.426 20 0 CBADMP CN1C[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246843145 825721582 /nfs/dbraw/zinc/72/15/82/825721582.db2.gz UEYMPXPTYGHBOR-XQQFMLRXSA-N 2 1 250.390 -0.426 20 0 CBADMP CN1C[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246843145 825721584 /nfs/dbraw/zinc/72/15/84/825721584.db2.gz UEYMPXPTYGHBOR-XQQFMLRXSA-N 2 1 250.390 -0.426 20 0 CBADMP C[N@@H+](CCC1OCCO1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246840615 825721605 /nfs/dbraw/zinc/72/16/05/825721605.db2.gz OMSSCEBKSLIYCW-LLVKDONJSA-N 2 1 255.362 -0.225 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@H]3COC[C@@H](C1)N3)CCN2 ZINC001246852830 825723163 /nfs/dbraw/zinc/72/31/63/825723163.db2.gz KSIXNCFUBDILAA-XQQFMLRXSA-N 2 1 266.389 -0.857 20 0 CBADMP CCN([C@H]1C[NH2+][C@@H](C(=O)OC)C1)[C@@H]1CCC[NH2+]C1 ZINC001246854611 825723167 /nfs/dbraw/zinc/72/31/67/825723167.db2.gz POKPIDOLNUVYBX-IJLUTSLNSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CN1 ZINC001246860319 825723986 /nfs/dbraw/zinc/72/39/86/825723986.db2.gz NWWIBGAIOOTRJT-UCEQBCCISA-N 2 1 283.372 -0.815 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CN1 ZINC001246860319 825723989 /nfs/dbraw/zinc/72/39/89/825723989.db2.gz NWWIBGAIOOTRJT-UCEQBCCISA-N 2 1 283.372 -0.815 20 0 CBADMP CS(=O)(=O)N1CCC([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246862784 825724199 /nfs/dbraw/zinc/72/41/99/825724199.db2.gz RLWQMTDCTVJITO-CMPLNLGQSA-N 2 1 273.402 -0.167 20 0 CBADMP CS(=O)(=O)N1CCC([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246862784 825724207 /nfs/dbraw/zinc/72/42/07/825724207.db2.gz RLWQMTDCTVJITO-CMPLNLGQSA-N 2 1 273.402 -0.167 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CCN1 ZINC001246862240 825724492 /nfs/dbraw/zinc/72/44/92/825724492.db2.gz QNFPYPGIGSAWGL-HNCHTBHHSA-N 2 1 253.346 -0.297 20 0 CBADMP CC(=O)N1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H](C)C1 ZINC001246860682 825724513 /nfs/dbraw/zinc/72/45/13/825724513.db2.gz WRCHCXLEHTZAGB-AAEUAGOBSA-N 2 1 266.389 -0.367 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246871363 825725488 /nfs/dbraw/zinc/72/54/88/825725488.db2.gz QVYMNVKDBLYUPA-UKRRQHHQSA-N 2 1 298.431 -0.493 20 0 CBADMP CCOC(=O)C[N@@H+](CC)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246888496 825727156 /nfs/dbraw/zinc/72/71/56/825727156.db2.gz BIKOWFPTENMPAZ-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H]1CN(C)C(=O)C[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246891928 825729070 /nfs/dbraw/zinc/72/90/70/825729070.db2.gz OFXUTZPBRPNOAR-QWRGUYRKSA-N 2 1 252.362 -0.757 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N2C[C@H]([NH3+])C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246909481 825730305 /nfs/dbraw/zinc/73/03/05/825730305.db2.gz XMAAMHCJAHWISN-NJBDSQKTSA-N 2 1 299.371 -0.755 20 0 CBADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2C[C@@H]3C[NH2+]C[C@H]32)C[NH2+]1 ZINC001246914308 825730347 /nfs/dbraw/zinc/73/03/47/825730347.db2.gz BZQPSFSKLRLYEB-FIQHERPVSA-N 2 1 267.373 -0.038 20 0 CBADMP COC(=O)[C@@H](N)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246920824 825730987 /nfs/dbraw/zinc/73/09/87/825730987.db2.gz JYWCWGAXHUWITI-PWSUYJOCSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H](N)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246920824 825730994 /nfs/dbraw/zinc/73/09/94/825730994.db2.gz JYWCWGAXHUWITI-PWSUYJOCSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@H]([NH3+])[C@@H]1CCCN([C@H]2CCC[NH2+]C2)C1 ZINC001246926887 825732724 /nfs/dbraw/zinc/73/27/24/825732724.db2.gz UTRWLLNXZOOBTG-GRYCIOLGSA-N 2 1 255.362 -0.049 20 0 CBADMP O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCC[NH2+]C2)N1 ZINC001246925597 825732922 /nfs/dbraw/zinc/73/29/22/825732922.db2.gz ZBDIMXUFUFRWNE-XRJCIJSOSA-N 2 1 278.356 -0.057 20 0 CBADMP O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCC[NH2+]C2)N1 ZINC001246925595 825732989 /nfs/dbraw/zinc/73/29/89/825732989.db2.gz ZBDIMXUFUFRWNE-JSIFYMHPSA-N 2 1 278.356 -0.057 20 0 CBADMP CCCN([C@@H]1CC[NH2+]C1)[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246932411 825733720 /nfs/dbraw/zinc/73/37/20/825733720.db2.gz AHHMGMUXFYLKGV-UTUOFQBUSA-N 2 1 255.362 -0.036 20 0 CBADMP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246932419 825734160 /nfs/dbraw/zinc/73/41/60/825734160.db2.gz AHHMGMUXFYLKGV-WOPDTQHZSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@H]1C[N@H+](C2CCC3(C[NH2+]C3)CC2)C[C@@H]1N ZINC001246934685 825734376 /nfs/dbraw/zinc/73/43/76/825734376.db2.gz VWGQTKMXWMUYFJ-RYUDHWBXSA-N 2 1 267.373 -0.049 20 0 CBADMP COC(=O)[C@H]1CN(C2CCC3(C[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001246934685 825734381 /nfs/dbraw/zinc/73/43/81/825734381.db2.gz VWGQTKMXWMUYFJ-RYUDHWBXSA-N 2 1 267.373 -0.049 20 0 CBADMP C[NH2+]C1CCC([N@H+]2C[C@@H](N)[C@@H](C(=O)OC)C2)CC1 ZINC001246935882 825734571 /nfs/dbraw/zinc/73/45/71/825734571.db2.gz ZHMQFUIRSRPODF-MMVSWEMESA-N 2 1 255.362 -0.051 20 0 CBADMP C[NH2+]C1CCC(N2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246935882 825734575 /nfs/dbraw/zinc/73/45/75/825734575.db2.gz ZHMQFUIRSRPODF-MMVSWEMESA-N 2 1 255.362 -0.051 20 0 CBADMP COCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246954617 825735685 /nfs/dbraw/zinc/73/56/85/825735685.db2.gz LWVUROVUWHKGTK-OLZOCXBDSA-N 2 1 296.415 -0.693 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C)CCN1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246947090 825736134 /nfs/dbraw/zinc/73/61/34/825736134.db2.gz UVIGUAIVAGXZPW-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C)CCN1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246947090 825736138 /nfs/dbraw/zinc/73/61/38/825736138.db2.gz UVIGUAIVAGXZPW-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@H]1C[N@H+](C)CCN1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246945144 825736454 /nfs/dbraw/zinc/73/64/54/825736454.db2.gz JVQYOOVNHHMOKO-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](C)CCN1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246945144 825736458 /nfs/dbraw/zinc/73/64/58/825736458.db2.gz JVQYOOVNHHMOKO-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP CNC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246966719 825737789 /nfs/dbraw/zinc/73/77/89/825737789.db2.gz ZSCGXGZTDXHFRJ-NWDGAFQWSA-N 2 1 281.404 -0.526 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N(C)[C@H]2C[NH2+]C[C@@H]2OC)C[NH2+]1 ZINC001246987405 825738744 /nfs/dbraw/zinc/73/87/44/825738744.db2.gz GSDKJWPMBOWCTM-ZJQBRPOHSA-N 2 1 285.388 -0.411 20 0 CBADMP CCN1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246985476 825739821 /nfs/dbraw/zinc/73/98/21/825739821.db2.gz CAFUMGVWTGWBDB-AVGNSLFASA-N 2 1 250.390 -0.141 20 0 CBADMP FC(F)(F)[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246993748 825740285 /nfs/dbraw/zinc/74/02/85/825740285.db2.gz UCUFGSFANPHZEB-ZJUUUORDSA-N 2 1 278.322 -0.084 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC[C@@](C)(C[NH3+])C2)C[NH2+]1 ZINC001247001107 825740471 /nfs/dbraw/zinc/74/04/71/825740471.db2.gz JAPRJEXQSMDGTR-MDZLAQPJSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC(F)(F)CC[C@@H]2C[NH3+])C[NH2+]1 ZINC001246993386 825740539 /nfs/dbraw/zinc/74/05/39/825740539.db2.gz RLIGZINKSDIKCC-BBBLOLIVSA-N 2 1 277.315 -0.052 20 0 CBADMP O=C1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC2(CCCC2)N1 ZINC001246998253 825740815 /nfs/dbraw/zinc/74/08/15/825740815.db2.gz YGEVILMGTHTLEN-GFCCVEGCSA-N 2 1 278.400 -0.175 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC(F)(F)C[C@H]2C[NH3+])C[NH2+]1 ZINC001246992767 825740971 /nfs/dbraw/zinc/74/09/71/825740971.db2.gz RCGZVGAMPVNAFB-VGMNWLOBSA-N 2 1 263.288 -0.442 20 0 CBADMP O=C1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC2(CCCC2)N1 ZINC001246998255 825741308 /nfs/dbraw/zinc/74/13/08/825741308.db2.gz YGEVILMGTHTLEN-LBPRGKRZSA-N 2 1 278.400 -0.175 20 0 CBADMP C[NH+](C)C1(C)CN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001251018868 825763156 /nfs/dbraw/zinc/76/31/56/825763156.db2.gz NDQSQWHHWOZBLE-GFCCVEGCSA-N 2 1 257.378 -0.685 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)C2 ZINC001251035840 825768358 /nfs/dbraw/zinc/76/83/58/825768358.db2.gz PKKVMDMJUCIHFQ-LXTVHRRPSA-N 2 1 283.416 -0.106 20 0 CBADMP CCOC[C@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001252043420 825814687 /nfs/dbraw/zinc/81/46/87/825814687.db2.gz FQBNIUWDUWZSKZ-CYBMUJFWSA-N 2 1 259.394 -0.389 20 0 CBADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](C[C@H](O)CO)CC2 ZINC001252059524 825821616 /nfs/dbraw/zinc/82/16/16/825821616.db2.gz ZMOHMAYWIDIJAB-JTQLQIEISA-N 2 1 257.334 -0.530 20 0 CBADMP CC[NH+](CC)CCN1CC[NH+](C[C@H](O)C(=O)OC)CC1 ZINC001252405817 825838411 /nfs/dbraw/zinc/83/84/11/825838411.db2.gz OQEFPTLCDYGROO-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP COC[C@@H](O)C[NH2+]CCC(=O)NCCc1cnc[nH]1 ZINC001252828499 825891920 /nfs/dbraw/zinc/89/19/20/825891920.db2.gz MJLZQOVCSNHGAI-NSHDSACASA-N 2 1 270.333 -0.945 20 0 CBADMP OC1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)COC1 ZINC001252944580 825895117 /nfs/dbraw/zinc/89/51/17/825895117.db2.gz SDHJDFKPYWZETJ-HNNXBMFYSA-N 2 1 292.379 -0.026 20 0 CBADMP OC1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)COC1 ZINC001252944580 825895129 /nfs/dbraw/zinc/89/51/29/825895129.db2.gz SDHJDFKPYWZETJ-HNNXBMFYSA-N 2 1 292.379 -0.026 20 0 CBADMP CC(CO)(CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252944089 825895903 /nfs/dbraw/zinc/89/59/03/825895903.db2.gz USWUFEBHDVTVJP-MRXNPFEDSA-N 2 1 294.395 -0.044 20 0 CBADMP CC(CO)(CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252944089 825895911 /nfs/dbraw/zinc/89/59/11/825895911.db2.gz USWUFEBHDVTVJP-MRXNPFEDSA-N 2 1 294.395 -0.044 20 0 CBADMP CC[NH+](CC)C[C@@H](O)CNCCC[N@@H+](C)CCO ZINC001253217193 825907288 /nfs/dbraw/zinc/90/72/88/825907288.db2.gz UWDLPBVUUUOYJD-ZDUSSCGKSA-N 2 1 261.410 -0.407 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001253383242 825910600 /nfs/dbraw/zinc/91/06/00/825910600.db2.gz CAMVXWNCTNPFAP-JTQLQIEISA-N 2 1 258.366 -0.650 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CNC(=O)C1(C)C ZINC001253412268 825914876 /nfs/dbraw/zinc/91/48/76/825914876.db2.gz DMFUBADUZVIYMI-UWVGGRQHSA-N 2 1 257.378 -0.150 20 0 CBADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001254504051 825964473 /nfs/dbraw/zinc/96/44/73/825964473.db2.gz RTEOBOIVHVONFN-VEGXAWMVSA-N 2 1 258.362 -0.837 20 0 CBADMP C[N@H+]1CCC[C@H]([NH2+]CCN2CCS(=O)(=O)CC2)CC1 ZINC001254508671 825965440 /nfs/dbraw/zinc/96/54/40/825965440.db2.gz KXGBBACELWWORI-ZDUSSCGKSA-N 2 1 289.445 -0.209 20 0 CBADMP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)C(=O)NCC(N)=O ZINC001254507642 825965688 /nfs/dbraw/zinc/96/56/88/825965688.db2.gz DSXSUSNPIWBTRW-VHSXEESVSA-N 2 1 256.350 -0.950 20 0 CBADMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)C(=O)NCC(N)=O ZINC001254507642 825965696 /nfs/dbraw/zinc/96/56/96/825965696.db2.gz DSXSUSNPIWBTRW-VHSXEESVSA-N 2 1 256.350 -0.950 20 0 CBADMP C[N@H+]1CCC[C@@H](N(C2C[NH2+]C2)S(C)(=O)=O)CC1 ZINC001254526192 825966083 /nfs/dbraw/zinc/96/60/83/825966083.db2.gz PMWSLBYGDMHPBD-SNVBAGLBSA-N 2 1 261.391 -0.296 20 0 CBADMP CC[NH+](CC)CC[C@H](C)[NH2+]CC(=O)NCC(=O)OC ZINC001255948801 825996017 /nfs/dbraw/zinc/99/60/17/825996017.db2.gz PTLIJCKZHWSRFE-NSHDSACASA-N 2 1 273.377 -0.014 20 0 CBADMP [NH3+]CCN(CCNC1CC[NH+](C2CC2)CC1)N(O)N=O ZINC001256071373 826000604 /nfs/dbraw/zinc/00/06/04/826000604.db2.gz UBHRPKZDUPSCCH-UHFFFAOYSA-N 2 1 286.380 -0.249 20 0 CBADMP [NH3+]CCN(CC[NH2+]C1CC[NH+](C2CC2)CC1)N(O)N=O ZINC001256071373 826000614 /nfs/dbraw/zinc/00/06/14/826000614.db2.gz UBHRPKZDUPSCCH-UHFFFAOYSA-N 3 1 286.380 -0.249 20 0 CBADMP CC(C)(C)[NH+]1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001256565416 826025784 /nfs/dbraw/zinc/02/57/84/826025784.db2.gz ACNQLCFWJPOOQC-FRRDWIJNSA-N 2 1 282.436 -0.758 20 0 CBADMP COC(=O)[C@H](C[NH3+])CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256615758 826028114 /nfs/dbraw/zinc/02/81/14/826028114.db2.gz UHHRFPXBMUPYBV-WAAKLRNESA-N 2 1 255.362 -0.051 20 0 CBADMP [NH3+][C@@H]1NCN([C@@H]2CCC[N@@H+](C3CCCC3)C2)[C@H]2NCN[C@H]21 ZINC001256908500 826034470 /nfs/dbraw/zinc/03/44/70/826034470.db2.gz LUPBHRCTNGOCOD-LXTVHRRPSA-N 2 1 294.447 -0.614 20 0 CBADMP [NH3+][C@@H]1NCN([C@@H]2CCC[N@H+](C3CCCC3)C2)[C@H]2NCN[C@H]21 ZINC001256908500 826034472 /nfs/dbraw/zinc/03/44/72/826034472.db2.gz LUPBHRCTNGOCOD-LXTVHRRPSA-N 2 1 294.447 -0.614 20 0 CBADMP [NH3+][C@@H]1NCN([C@@H]2CCC[N@@H+](C3CCCC3)C2)[C@@H]2NCN[C@H]21 ZINC001256908498 826034494 /nfs/dbraw/zinc/03/44/94/826034494.db2.gz LUPBHRCTNGOCOD-BARDWOONSA-N 2 1 294.447 -0.614 20 0 CBADMP [NH3+][C@@H]1NCN([C@@H]2CCC[N@H+](C3CCCC3)C2)[C@@H]2NCN[C@H]21 ZINC001256908498 826034498 /nfs/dbraw/zinc/03/44/98/826034498.db2.gz LUPBHRCTNGOCOD-BARDWOONSA-N 2 1 294.447 -0.614 20 0 CBADMP C[N@@H+](CCO)CCC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001257230832 826042589 /nfs/dbraw/zinc/04/25/89/826042589.db2.gz IQDXJHJXXTWBIF-UHFFFAOYSA-N 2 1 293.433 -0.686 20 0 CBADMP COC(=O)CNC(=O)C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001258005960 826055611 /nfs/dbraw/zinc/05/56/11/826055611.db2.gz YZUSWFZZUOFAHT-UHFFFAOYSA-N 2 1 285.388 -0.014 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC001261384560 826508738 /nfs/dbraw/zinc/50/87/38/826508738.db2.gz UIFPCAQLKSORHV-GFCCVEGCSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001261384284 826509107 /nfs/dbraw/zinc/50/91/07/826509107.db2.gz LXZUKQUNWGWGBV-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CCCn1cc(CO)nn1)C1CC1 ZINC001261483195 826522127 /nfs/dbraw/zinc/52/21/27/826522127.db2.gz LVDDGGCPPVGGMU-CYBMUJFWSA-N 2 1 283.376 -0.795 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CCCn1cc(CO)nn1)C1CC1 ZINC001261483195 826522130 /nfs/dbraw/zinc/52/21/30/826522130.db2.gz LVDDGGCPPVGGMU-CYBMUJFWSA-N 2 1 283.376 -0.795 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001261530426 826534342 /nfs/dbraw/zinc/53/43/42/826534342.db2.gz DCPNAJMLPDABLV-YPMHNXCESA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])CC[N@H+]1C ZINC001261644567 826554074 /nfs/dbraw/zinc/55/40/74/826554074.db2.gz FCLVYYNREQIFBG-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[N@H+]1C ZINC001262062092 826629410 /nfs/dbraw/zinc/62/94/10/826629410.db2.gz RIMFKFVBIUBFQL-GRYCIOLGSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC001262067147 826629891 /nfs/dbraw/zinc/62/98/91/826629891.db2.gz UDIMYTVRVJJSDJ-DDHJBXDOSA-N 2 1 294.399 -0.419 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC001262067146 826630126 /nfs/dbraw/zinc/63/01/26/826630126.db2.gz UDIMYTVRVJJSDJ-BJDJZHNGSA-N 2 1 294.399 -0.419 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001262073498 826632463 /nfs/dbraw/zinc/63/24/63/826632463.db2.gz TWKZMTKAHDCAFQ-OUAUKWLOSA-N 2 1 268.361 -0.950 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001262160698 826646208 /nfs/dbraw/zinc/64/62/08/826646208.db2.gz MPVBWQHZTFWCBU-RDBSUJKOSA-N 3 1 252.406 -0.179 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001262194823 826657323 /nfs/dbraw/zinc/65/73/23/826657323.db2.gz DWQMJQRGBJSYCB-LLVKDONJSA-N 2 1 257.334 -0.469 20 0 CBADMP Cn1cncc1CCN1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001262328087 826676742 /nfs/dbraw/zinc/67/67/42/826676742.db2.gz BDKWRVZMRIAMLR-PHIMTYICSA-N 2 1 269.370 -0.061 20 0 CBADMP C[NH2+]C1(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCC1 ZINC001263099091 826736473 /nfs/dbraw/zinc/73/64/73/826736473.db2.gz XZORCWCCQOQFON-GFCCVEGCSA-N 2 1 296.415 -0.168 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001263096556 826736738 /nfs/dbraw/zinc/73/67/38/826736738.db2.gz VMKFIKIPELDEFE-VHSXEESVSA-N 2 1 257.334 -0.665 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2C[NH2+]1 ZINC001263105907 826739353 /nfs/dbraw/zinc/73/93/53/826739353.db2.gz CRSQZEKAYCIVBN-NXEZZACHSA-N 2 1 263.345 -0.062 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N(C)CCC[NH3+])cc2C[NH2+]1 ZINC001263144192 826743820 /nfs/dbraw/zinc/74/38/20/826743820.db2.gz BIJAAJUAOZHNIN-SECBINFHSA-N 2 1 251.334 -0.204 20 0 CBADMP [NH3+]Cc1nc(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)cs1 ZINC001263155814 826745467 /nfs/dbraw/zinc/74/54/67/826745467.db2.gz GLOQGTWNJMCXEY-SSDOTTSWSA-N 2 1 268.342 -0.538 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC12CC(C1)C[NH2+]2 ZINC001263160897 826746176 /nfs/dbraw/zinc/74/61/76/826746176.db2.gz QGMAZTYLFBWJBR-WDBLDGLGSA-N 2 1 264.373 -0.757 20 0 CBADMP C[NH2+][C@@H](C(=O)NCCOCCC[NH3+])c1cnn(C)c1 ZINC001263167361 826747368 /nfs/dbraw/zinc/74/73/68/826747368.db2.gz IFCADTWUOIKHSM-LLVKDONJSA-N 2 1 269.349 -0.838 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C[NH2+]1 ZINC001263167149 826747802 /nfs/dbraw/zinc/74/78/02/826747802.db2.gz BTTAXNNKYCSEAB-VOAKCMCISA-N 2 1 266.389 -0.369 20 0 CBADMP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1[NH2+]CCc2occc21 ZINC001263170685 826748640 /nfs/dbraw/zinc/74/86/40/826748640.db2.gz WGLKZRUVKBSCNL-JOYOIKCWSA-N 2 1 267.329 -0.495 20 0 CBADMP CCO[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)C[NH+](C)C ZINC001263204846 826753081 /nfs/dbraw/zinc/75/30/81/826753081.db2.gz KJLMZOIDTJWUDY-UWVGGRQHSA-N 2 1 261.391 -0.268 20 0 CBADMP C[C@@H](C(=O)N1CC[C@@H](CC[NH3+])C1)N1CC[NH+](C)CC1 ZINC001263212736 826753986 /nfs/dbraw/zinc/75/39/86/826753986.db2.gz BAIICDMHNYDTNI-QWHCGFSZSA-N 2 1 268.405 -0.180 20 0 CBADMP CN1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC[N@@H+](C)CC1 ZINC001263245572 826757653 /nfs/dbraw/zinc/75/76/53/826757653.db2.gz NLPMHTVMKDPZGN-CYBMUJFWSA-N 2 1 282.432 -0.062 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001263274421 826760630 /nfs/dbraw/zinc/76/06/30/826760630.db2.gz BNLPZPWSPLUWEL-WZRBSPASSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@@H](NC(=O)CCC1C[NH2+]C1)[C@H]1C[N@@H+](C)CCN1C ZINC001263306000 826762751 /nfs/dbraw/zinc/76/27/51/826762751.db2.gz NFQKCGOHROEDBV-DGCLKSJQSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H](NC(=O)CCC1C[NH2+]C1)[C@H]1CN(C)CCN1C ZINC001263306000 826762754 /nfs/dbraw/zinc/76/27/54/826762754.db2.gz NFQKCGOHROEDBV-DGCLKSJQSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H](NC(=O)CCC1C[NH2+]C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001263306000 826762758 /nfs/dbraw/zinc/76/27/58/826762758.db2.gz NFQKCGOHROEDBV-DGCLKSJQSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H](NC(=O)CCC1C[NH2+]C1)[C@H]1CN(C)CC[N@H+]1C ZINC001263306000 826762760 /nfs/dbraw/zinc/76/27/60/826762760.db2.gz NFQKCGOHROEDBV-DGCLKSJQSA-N 2 1 268.405 -0.264 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C ZINC001263746363 826773885 /nfs/dbraw/zinc/77/38/85/826773885.db2.gz KFTVVFLBJXOMEE-KGLIPLIRSA-N 2 1 298.431 -0.541 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001263746363 826773889 /nfs/dbraw/zinc/77/38/89/826773889.db2.gz KFTVVFLBJXOMEE-KGLIPLIRSA-N 2 1 298.431 -0.541 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001263746363 826773894 /nfs/dbraw/zinc/77/38/94/826773894.db2.gz KFTVVFLBJXOMEE-KGLIPLIRSA-N 2 1 298.431 -0.541 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001263821503 826780321 /nfs/dbraw/zinc/78/03/21/826780321.db2.gz UAQWOGSROHHREA-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCOCCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001263821503 826780322 /nfs/dbraw/zinc/78/03/22/826780322.db2.gz UAQWOGSROHHREA-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCOCCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001263821503 826780325 /nfs/dbraw/zinc/78/03/25/826780325.db2.gz UAQWOGSROHHREA-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001263810393 826780717 /nfs/dbraw/zinc/78/07/17/826780717.db2.gz WWCFWIJBKKNKAS-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001264970295 826823627 /nfs/dbraw/zinc/82/36/27/826823627.db2.gz ATGZXQOZUBGFMF-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001264970295 826823638 /nfs/dbraw/zinc/82/36/38/826823638.db2.gz ATGZXQOZUBGFMF-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001264970295 826823650 /nfs/dbraw/zinc/82/36/50/826823650.db2.gz ATGZXQOZUBGFMF-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CO[C@@H](C)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001264973658 826824707 /nfs/dbraw/zinc/82/47/07/826824707.db2.gz FBJSBWWVMONLAQ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@@H](C)C[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001264973658 826824714 /nfs/dbraw/zinc/82/47/14/826824714.db2.gz FBJSBWWVMONLAQ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@@H](C)C[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001264973658 826824721 /nfs/dbraw/zinc/82/47/21/826824721.db2.gz FBJSBWWVMONLAQ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@@H](C)C[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001264973658 826824730 /nfs/dbraw/zinc/82/47/30/826824730.db2.gz FBJSBWWVMONLAQ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001265068218 826843266 /nfs/dbraw/zinc/84/32/66/826843266.db2.gz BBWBXIMIHWIVKP-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001265068218 826843281 /nfs/dbraw/zinc/84/32/81/826843281.db2.gz BBWBXIMIHWIVKP-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001265068218 826843294 /nfs/dbraw/zinc/84/32/94/826843294.db2.gz BBWBXIMIHWIVKP-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH+](C)[C@@H]1CCN(C)C1=O ZINC001265072871 826845693 /nfs/dbraw/zinc/84/56/93/826845693.db2.gz IGFFCLAURMQUTR-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001265072871 826845702 /nfs/dbraw/zinc/84/57/02/826845702.db2.gz IGFFCLAURMQUTR-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001265072871 826845711 /nfs/dbraw/zinc/84/57/11/826845711.db2.gz IGFFCLAURMQUTR-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP COCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265308435 826880603 /nfs/dbraw/zinc/88/06/03/826880603.db2.gz SJOXIRBBRCVSAJ-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP COCCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265308435 826880617 /nfs/dbraw/zinc/88/06/17/826880617.db2.gz SJOXIRBBRCVSAJ-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001265818005 826922836 /nfs/dbraw/zinc/92/28/36/826922836.db2.gz BAYHIWPHHJMKDN-VIFPVBQESA-N 2 1 269.349 -0.076 20 0 CBADMP Cc1nonc1C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001265818004 826922849 /nfs/dbraw/zinc/92/28/49/826922849.db2.gz BAYHIWPHHJMKDN-SECBINFHSA-N 2 1 269.349 -0.076 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001265849395 826929028 /nfs/dbraw/zinc/92/90/28/826929028.db2.gz WOFMXJFWYLUFKW-UWVGGRQHSA-N 2 1 258.366 -0.704 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC(N)=O ZINC001265936734 826939969 /nfs/dbraw/zinc/93/99/69/826939969.db2.gz FZUZQPXTQYKUJV-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)CC(N)=O ZINC001265936734 826939971 /nfs/dbraw/zinc/93/99/71/826939971.db2.gz FZUZQPXTQYKUJV-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)CC(N)=O ZINC001265936734 826939973 /nfs/dbraw/zinc/93/99/73/826939973.db2.gz FZUZQPXTQYKUJV-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@H](C(=O)NCCC[N@@H+](C)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001265954969 826942058 /nfs/dbraw/zinc/94/20/58/826942058.db2.gz YYJAYYJVBGWEMP-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266275332 826970960 /nfs/dbraw/zinc/97/09/60/826970960.db2.gz VSNFEIVQPNKLAC-QJPTWQEYSA-N 2 1 257.378 -0.245 20 0 CBADMP C[C@H](O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266275332 826970962 /nfs/dbraw/zinc/97/09/62/826970962.db2.gz VSNFEIVQPNKLAC-QJPTWQEYSA-N 2 1 257.378 -0.245 20 0 CBADMP C[C@H](O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266275332 826970965 /nfs/dbraw/zinc/97/09/65/826970965.db2.gz VSNFEIVQPNKLAC-QJPTWQEYSA-N 2 1 257.378 -0.245 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266275170 826968942 /nfs/dbraw/zinc/96/89/42/826968942.db2.gz PIFMHBHKZLBOEH-YPMHNXCESA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266339655 826985602 /nfs/dbraw/zinc/98/56/02/826985602.db2.gz VDRNWOAAGZRYBJ-NWDGAFQWSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001266344963 826986368 /nfs/dbraw/zinc/98/63/68/826986368.db2.gz RNXGRAXSMYDJOB-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001266344963 826986372 /nfs/dbraw/zinc/98/63/72/826986372.db2.gz RNXGRAXSMYDJOB-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001266344963 826986357 /nfs/dbraw/zinc/98/63/57/826986357.db2.gz RNXGRAXSMYDJOB-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001266344963 826986362 /nfs/dbraw/zinc/98/63/62/826986362.db2.gz RNXGRAXSMYDJOB-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001266344964 826986714 /nfs/dbraw/zinc/98/67/14/826986714.db2.gz RNXGRAXSMYDJOB-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001266344964 826986718 /nfs/dbraw/zinc/98/67/18/826986718.db2.gz RNXGRAXSMYDJOB-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001266344964 826986723 /nfs/dbraw/zinc/98/67/23/826986723.db2.gz RNXGRAXSMYDJOB-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001266344964 826986726 /nfs/dbraw/zinc/98/67/26/826986726.db2.gz RNXGRAXSMYDJOB-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCCOC)C2)C1 ZINC001266358187 826987997 /nfs/dbraw/zinc/98/79/97/826987997.db2.gz AKLZAIIVWYSKOW-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCCOC)C2)C1 ZINC001266358187 826988003 /nfs/dbraw/zinc/98/80/03/826988003.db2.gz AKLZAIIVWYSKOW-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCCOC)C2)C1 ZINC001266358187 826988008 /nfs/dbraw/zinc/98/80/08/826988008.db2.gz AKLZAIIVWYSKOW-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCCOC)C2)C1 ZINC001266358187 826988015 /nfs/dbraw/zinc/98/80/15/826988015.db2.gz AKLZAIIVWYSKOW-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001266361947 826991892 /nfs/dbraw/zinc/99/18/92/826991892.db2.gz VEMPCVUQPHVYOO-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001266361947 826991900 /nfs/dbraw/zinc/99/19/00/826991900.db2.gz VEMPCVUQPHVYOO-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001266361947 826991908 /nfs/dbraw/zinc/99/19/08/826991908.db2.gz VEMPCVUQPHVYOO-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001266361947 826991912 /nfs/dbraw/zinc/99/19/12/826991912.db2.gz VEMPCVUQPHVYOO-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(N)=O ZINC001266408112 826996025 /nfs/dbraw/zinc/99/60/25/826996025.db2.gz AKQQASGVSBLGOL-SNVBAGLBSA-N 2 1 256.350 -0.996 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(N)=O ZINC001266408112 826996028 /nfs/dbraw/zinc/99/60/28/826996028.db2.gz AKQQASGVSBLGOL-SNVBAGLBSA-N 2 1 256.350 -0.996 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(N)=O ZINC001266408112 826996035 /nfs/dbraw/zinc/99/60/35/826996035.db2.gz AKQQASGVSBLGOL-SNVBAGLBSA-N 2 1 256.350 -0.996 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CC(N)=O ZINC001266408112 826996039 /nfs/dbraw/zinc/99/60/39/826996039.db2.gz AKQQASGVSBLGOL-SNVBAGLBSA-N 2 1 256.350 -0.996 20 0 CBADMP COCCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001266565776 827023447 /nfs/dbraw/zinc/02/34/47/827023447.db2.gz NQCVJXPBIQRNDI-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CC[NH2+]Cc1nncn1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266660691 827043132 /nfs/dbraw/zinc/04/31/32/827043132.db2.gz PXOIQSAQDJTTLU-NSHDSACASA-N 2 1 280.376 -0.543 20 0 CBADMP CN(CC[NH2+]Cc1nncn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001266660691 827043145 /nfs/dbraw/zinc/04/31/45/827043145.db2.gz PXOIQSAQDJTTLU-NSHDSACASA-N 2 1 280.376 -0.543 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001266953574 827096366 /nfs/dbraw/zinc/09/63/66/827096366.db2.gz GQCXQZBMWPWLAU-VIFPVBQESA-N 2 1 267.333 -0.968 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]CCO)C2)C1 ZINC001267065393 827112112 /nfs/dbraw/zinc/11/21/12/827112112.db2.gz TXYPYZLEXSTGTB-OLZOCXBDSA-N 2 1 269.389 -0.241 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267072426 827112448 /nfs/dbraw/zinc/11/24/48/827112448.db2.gz ZRRCUSCRSWCSSD-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCCO ZINC001267159502 827118889 /nfs/dbraw/zinc/11/88/89/827118889.db2.gz ZBYGTMGXAQCISK-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267225941 827134200 /nfs/dbraw/zinc/13/42/00/827134200.db2.gz IOHNYXQMYTXBMB-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267225941 827134203 /nfs/dbraw/zinc/13/42/03/827134203.db2.gz IOHNYXQMYTXBMB-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267225941 827134209 /nfs/dbraw/zinc/13/42/09/827134209.db2.gz IOHNYXQMYTXBMB-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CCO ZINC001267282362 827141407 /nfs/dbraw/zinc/14/14/07/827141407.db2.gz CQDBKHBJUAYYGS-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1CCO ZINC001267282362 827141413 /nfs/dbraw/zinc/14/14/13/827141413.db2.gz CQDBKHBJUAYYGS-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001267282362 827141416 /nfs/dbraw/zinc/14/14/16/827141416.db2.gz CQDBKHBJUAYYGS-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CCO ZINC001267282364 827142340 /nfs/dbraw/zinc/14/23/40/827142340.db2.gz CQDBKHBJUAYYGS-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1CCO ZINC001267282364 827142341 /nfs/dbraw/zinc/14/23/41/827142341.db2.gz CQDBKHBJUAYYGS-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001267282364 827142342 /nfs/dbraw/zinc/14/23/42/827142342.db2.gz CQDBKHBJUAYYGS-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CCOCC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001267322916 827149705 /nfs/dbraw/zinc/14/97/05/827149705.db2.gz CXARTJDJEGNALG-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001267322916 827149709 /nfs/dbraw/zinc/14/97/09/827149709.db2.gz CXARTJDJEGNALG-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001267322916 827149712 /nfs/dbraw/zinc/14/97/12/827149712.db2.gz CXARTJDJEGNALG-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001267322916 827149717 /nfs/dbraw/zinc/14/97/17/827149717.db2.gz CXARTJDJEGNALG-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[N@H+](CCO)C1CC1 ZINC001267328991 827151106 /nfs/dbraw/zinc/15/11/06/827151106.db2.gz AOKKXLVYALDQJM-UHFFFAOYSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](CCO)C1CC1 ZINC001267328991 827151113 /nfs/dbraw/zinc/15/11/13/827151113.db2.gz AOKKXLVYALDQJM-UHFFFAOYSA-N 2 1 266.345 -0.236 20 0 CBADMP CCn1nncc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001267354727 827155825 /nfs/dbraw/zinc/15/58/25/827155825.db2.gz WUHRMGDGTFXSHV-CYBMUJFWSA-N 2 1 294.403 -0.060 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001267355793 827155862 /nfs/dbraw/zinc/15/58/62/827155862.db2.gz ZZWOQGZBWARTJS-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CCn1nncc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001267354728 827156156 /nfs/dbraw/zinc/15/61/56/827156156.db2.gz WUHRMGDGTFXSHV-ZDUSSCGKSA-N 2 1 294.403 -0.060 20 0 CBADMP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001267354878 827156286 /nfs/dbraw/zinc/15/62/86/827156286.db2.gz AUPBPBQMJPMRQM-WDEREUQCSA-N 2 1 268.361 -0.983 20 0 CBADMP CN(CC[NH2+]Cc1cncn1C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267359369 827157432 /nfs/dbraw/zinc/15/74/32/827157432.db2.gz JCYQHTPMPAIPDQ-ZDUSSCGKSA-N 2 1 295.387 -0.701 20 0 CBADMP CN(CC[NH2+]Cc1cncn1C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267359369 827157434 /nfs/dbraw/zinc/15/74/34/827157434.db2.gz JCYQHTPMPAIPDQ-ZDUSSCGKSA-N 2 1 295.387 -0.701 20 0 CBADMP CN(CC[NH2+]CCO)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001267375365 827161371 /nfs/dbraw/zinc/16/13/71/827161371.db2.gz FZBYDHDSWBBHFP-CYBMUJFWSA-N 2 1 295.387 -0.170 20 0 CBADMP CN(CC[NH2+]CCO)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001267375365 827161379 /nfs/dbraw/zinc/16/13/79/827161379.db2.gz FZBYDHDSWBBHFP-CYBMUJFWSA-N 2 1 295.387 -0.170 20 0 CBADMP CNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267439667 827171507 /nfs/dbraw/zinc/17/15/07/827171507.db2.gz QVZJLTPTJKUABH-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001267451557 827172762 /nfs/dbraw/zinc/17/27/62/827172762.db2.gz IHKGMSHRMXRIIU-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267455967 827173530 /nfs/dbraw/zinc/17/35/30/827173530.db2.gz INLBOBUBFRSITL-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CCO)C1 ZINC001267779058 827217911 /nfs/dbraw/zinc/21/79/11/827217911.db2.gz MRVBTQOGBPDJIT-GFCCVEGCSA-N 2 1 257.378 -0.148 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](CCO)C1 ZINC001267779058 827217917 /nfs/dbraw/zinc/21/79/17/827217917.db2.gz MRVBTQOGBPDJIT-GFCCVEGCSA-N 2 1 257.378 -0.148 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001267779058 827217921 /nfs/dbraw/zinc/21/79/21/827217921.db2.gz MRVBTQOGBPDJIT-GFCCVEGCSA-N 2 1 257.378 -0.148 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@](C)(C[NH2+]CCO)C2CC2)C1 ZINC001267864460 827230624 /nfs/dbraw/zinc/23/06/24/827230624.db2.gz DVQMJUUUZNUIDZ-UKRRQHHQSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@](C)(C[NH2+]CCO)C2CC2)C1 ZINC001267864460 827230633 /nfs/dbraw/zinc/23/06/33/827230633.db2.gz DVQMJUUUZNUIDZ-UKRRQHHQSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@H](C[NH2+]CCn1cncn1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268099575 827258139 /nfs/dbraw/zinc/25/81/39/827258139.db2.gz GKWYXHLDIUELEM-OLZOCXBDSA-N 2 1 294.403 -0.334 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CCC2CC2)C1 ZINC001268296326 827281289 /nfs/dbraw/zinc/28/12/89/827281289.db2.gz GOAUALWKQGZGGB-STQMWFEESA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CCC2CC2)C1 ZINC001268296326 827281295 /nfs/dbraw/zinc/28/12/95/827281295.db2.gz GOAUALWKQGZGGB-STQMWFEESA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCCF ZINC001268297769 827282450 /nfs/dbraw/zinc/28/24/50/827282450.db2.gz LCLAFMZLYSMGNJ-GHMZBOCLSA-N 2 1 261.341 -0.493 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCCF ZINC001268297775 827282884 /nfs/dbraw/zinc/28/28/84/827282884.db2.gz LCLAFMZLYSMGNJ-QWRGUYRKSA-N 2 1 261.341 -0.493 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCCF ZINC001268297778 827283248 /nfs/dbraw/zinc/28/32/48/827283248.db2.gz LCLAFMZLYSMGNJ-WDEREUQCSA-N 2 1 261.341 -0.493 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CCC2CC2)C1 ZINC001268333909 827308583 /nfs/dbraw/zinc/30/85/83/827308583.db2.gz ICAFCYGUWPINSD-ZIAGYGMSSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CCC2CC2)C1 ZINC001268333909 827308592 /nfs/dbraw/zinc/30/85/92/827308592.db2.gz ICAFCYGUWPINSD-ZIAGYGMSSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@H](CC[NH2+]Cc1nncn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268347184 827312966 /nfs/dbraw/zinc/31/29/66/827312966.db2.gz BDOXCIQYAQWIDS-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268366566 827316093 /nfs/dbraw/zinc/31/60/93/827316093.db2.gz OUPBEACBAISLDV-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268366567 827316107 /nfs/dbraw/zinc/31/61/07/827316107.db2.gz OUPBEACBAISLDV-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP CCN(C)C(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268423213 827325125 /nfs/dbraw/zinc/32/51/25/827325125.db2.gz KNPAZWRVRZSETP-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268521731 827352704 /nfs/dbraw/zinc/35/27/04/827352704.db2.gz IQNYDVRPPHJDJC-DSYXLKISSA-N 2 1 296.415 -0.133 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001268556504 827362714 /nfs/dbraw/zinc/36/27/14/827362714.db2.gz PNLXANMCTABWTA-AGFGORMFSA-N 2 1 296.415 -0.133 20 0 CBADMP COC[C@@H](O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268557391 827365695 /nfs/dbraw/zinc/36/56/95/827365695.db2.gz VCVCZTRGPGDRPB-MRYXHSKJSA-N 2 1 299.415 -0.260 20 0 CBADMP CCN(C)C(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268573168 827367453 /nfs/dbraw/zinc/36/74/53/827367453.db2.gz FGPQQOYEXWBFQB-URWSZGRFSA-N 2 1 296.415 -0.179 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001268670780 827398616 /nfs/dbraw/zinc/39/86/16/827398616.db2.gz JFNYTNOQIWXYLC-NXEZZACHSA-N 2 1 258.366 -0.704 20 0 CBADMP CN(CCC[NH2+]CC(N)=O)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001268800583 827423364 /nfs/dbraw/zinc/42/33/64/827423364.db2.gz PGEYDMWODLVRBH-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP CCCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268945969 827443102 /nfs/dbraw/zinc/44/31/02/827443102.db2.gz JMDBSKCJJJZBAX-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CN(CCC[NH2+]Cc1cnnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268945664 827443128 /nfs/dbraw/zinc/44/31/28/827443128.db2.gz GRNAZDZXNXAXFH-LBPRGKRZSA-N 2 1 294.403 -0.295 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001269332295 827494008 /nfs/dbraw/zinc/49/40/08/827494008.db2.gz PSDNFKVCLYPBOT-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CC[N@@H+]2CCCO)C1 ZINC001269332295 827494010 /nfs/dbraw/zinc/49/40/10/827494010.db2.gz PSDNFKVCLYPBOT-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CC[N@H+]2CCCO)C1 ZINC001269332295 827494012 /nfs/dbraw/zinc/49/40/12/827494012.db2.gz PSDNFKVCLYPBOT-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCO)CC1 ZINC001269438035 827508637 /nfs/dbraw/zinc/50/86/37/827508637.db2.gz YIWUYFDAZHDETC-LLVKDONJSA-N 2 1 255.362 -0.299 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001269489300 827514446 /nfs/dbraw/zinc/51/44/46/827514446.db2.gz MFHZGDZFDQGEFF-RYUDHWBXSA-N 2 1 269.389 -0.053 20 0 CBADMP COCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001270928092 827607387 /nfs/dbraw/zinc/60/73/87/827607387.db2.gz AKIJXJUSWBJKNQ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP COCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001270928092 827607390 /nfs/dbraw/zinc/60/73/90/827607390.db2.gz AKIJXJUSWBJKNQ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP COCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001270928094 827607867 /nfs/dbraw/zinc/60/78/67/827607867.db2.gz AKIJXJUSWBJKNQ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP COCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001270928094 827607870 /nfs/dbraw/zinc/60/78/70/827607870.db2.gz AKIJXJUSWBJKNQ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001271192397 827675643 /nfs/dbraw/zinc/67/56/43/827675643.db2.gz LUZZNEFIKSFKLO-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001271222638 827678417 /nfs/dbraw/zinc/67/84/17/827678417.db2.gz CDOBLDRDTLRSIN-MCIONIFRSA-N 2 1 280.416 -0.215 20 0 CBADMP CC[NH+]1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001271904972 827734684 /nfs/dbraw/zinc/73/46/84/827734684.db2.gz IRGFWFJYQZRAIK-OKILXGFUSA-N 2 1 280.416 -0.071 20 0 CBADMP CCOCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001271984872 827746595 /nfs/dbraw/zinc/74/65/95/827746595.db2.gz WWXLVRXOOGQVSU-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP CCOCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001271984872 827746600 /nfs/dbraw/zinc/74/66/00/827746600.db2.gz WWXLVRXOOGQVSU-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP CCOCC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001271984872 827746606 /nfs/dbraw/zinc/74/66/06/827746606.db2.gz WWXLVRXOOGQVSU-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP CCOCC[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001271984872 827746613 /nfs/dbraw/zinc/74/66/13/827746613.db2.gz WWXLVRXOOGQVSU-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001271996210 827748216 /nfs/dbraw/zinc/74/82/16/827748216.db2.gz JOBQJUVZWZOJBS-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001271996210 827748221 /nfs/dbraw/zinc/74/82/21/827748221.db2.gz JOBQJUVZWZOJBS-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001271996210 827748226 /nfs/dbraw/zinc/74/82/26/827748226.db2.gz JOBQJUVZWZOJBS-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCOC1CCC1 ZINC001272381907 827789398 /nfs/dbraw/zinc/78/93/98/827789398.db2.gz XZVOEIJTOQZWEJ-TZMCWYRMSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CCF)CC[N@H+]1C ZINC001272413590 827794244 /nfs/dbraw/zinc/79/42/44/827794244.db2.gz FBSKDTAOMWYBFP-OUAUKWLOSA-N 2 1 261.341 -0.637 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]C/C=C\Cl ZINC001272496196 827807077 /nfs/dbraw/zinc/80/70/77/827807077.db2.gz MRTDHLSRIKQGEE-VRJVPJCWSA-N 2 1 275.780 -0.100 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272535200 827816379 /nfs/dbraw/zinc/81/63/79/827816379.db2.gz VWTZJAVEKHILFR-OAHLLOKOSA-N 2 1 296.415 -0.439 20 0 CBADMP CCC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001272558749 827820633 /nfs/dbraw/zinc/82/06/33/827820633.db2.gz BFNCCDFCDPNMDX-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC2(C[NH+](C)C2)CC1 ZINC001272555156 827820972 /nfs/dbraw/zinc/82/09/72/827820972.db2.gz LFJFWOQPNINKEI-ZDUSSCGKSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCC2CC2)C1 ZINC001272576280 827824848 /nfs/dbraw/zinc/82/48/48/827824848.db2.gz XPDYBQHHTVHASV-OLZOCXBDSA-N 2 1 269.389 -0.195 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CCC2CC2)C1 ZINC001272576281 827825381 /nfs/dbraw/zinc/82/53/81/827825381.db2.gz XPDYBQHHTVHASV-QWHCGFSZSA-N 2 1 269.389 -0.195 20 0 CBADMP C[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](O)C1)CC2 ZINC001273070126 827860481 /nfs/dbraw/zinc/86/04/81/827860481.db2.gz SEOBSRUOKOEECE-LBPRGKRZSA-N 2 1 267.373 -0.393 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CC[NH+](C)C3)C1 ZINC001273086155 827863703 /nfs/dbraw/zinc/86/37/03/827863703.db2.gz YGSPGGBXCJBZMF-LBPRGKRZSA-N 2 1 295.383 -0.355 20 0 CBADMP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC3(C2)CC[N@H+](C)C3)C1 ZINC001273086155 827863712 /nfs/dbraw/zinc/86/37/12/827863712.db2.gz YGSPGGBXCJBZMF-LBPRGKRZSA-N 2 1 295.383 -0.355 20 0 CBADMP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC3(C2)CC[N@@H+](C)C3)C1 ZINC001273086155 827863721 /nfs/dbraw/zinc/86/37/21/827863721.db2.gz YGSPGGBXCJBZMF-LBPRGKRZSA-N 2 1 295.383 -0.355 20 0 CBADMP CCN(CC[NH2+]CCOC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001273311047 827888636 /nfs/dbraw/zinc/88/86/36/827888636.db2.gz AQZDFWUYJJFBCX-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CCN(CC[NH2+]CCOC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001273311047 827888641 /nfs/dbraw/zinc/88/86/41/827888641.db2.gz AQZDFWUYJJFBCX-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273703100 827919854 /nfs/dbraw/zinc/91/98/54/827919854.db2.gz CDCAQERSDDSROJ-WFASDCNBSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273703100 827919859 /nfs/dbraw/zinc/91/98/59/827919859.db2.gz CDCAQERSDDSROJ-WFASDCNBSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274047654 827956222 /nfs/dbraw/zinc/95/62/22/827956222.db2.gz SBIOOAFNASIYJC-OCCSQVGLSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274046482 827956436 /nfs/dbraw/zinc/95/64/36/827956436.db2.gz FDUJSHMINAAQGR-ZFWWWQNUSA-N 2 1 299.415 -0.520 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]C[C@@H](C)O ZINC001274611866 828011494 /nfs/dbraw/zinc/01/14/94/828011494.db2.gz XCNRJWUTTSXNRD-FOQNGQEVSA-N 2 1 257.378 -0.031 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274047913 827957142 /nfs/dbraw/zinc/95/71/42/827957142.db2.gz VNFSWHPOMZBZRE-TZMCWYRMSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+](CC(N)=O)CC2)C1=O ZINC001274061947 827962786 /nfs/dbraw/zinc/96/27/86/827962786.db2.gz JHMWTRUJWVKGIO-OAHLLOKOSA-N 2 1 296.415 -0.262 20 0 CBADMP CNC(=O)C[NH2+]C/C=C\CNC(=O)Cn1c[nH+]cc1C ZINC001274201877 827974082 /nfs/dbraw/zinc/97/40/82/827974082.db2.gz HQYPMYGEHVAOML-ARJAWSKDSA-N 2 1 279.344 -0.800 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCCO)CC1 ZINC001274502557 827995097 /nfs/dbraw/zinc/99/50/97/827995097.db2.gz UAZUVBYAOQKBLU-ZDUSSCGKSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001274787167 828029914 /nfs/dbraw/zinc/02/99/14/828029914.db2.gz DFUUVUPKVOOSCD-SECBINFHSA-N 2 1 256.350 -0.950 20 0 CBADMP COCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001274939862 828044358 /nfs/dbraw/zinc/04/43/58/828044358.db2.gz RRLBCFPWHKONED-KGLIPLIRSA-N 2 1 271.405 -0.031 20 0 CBADMP COCC[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001274981642 828047113 /nfs/dbraw/zinc/04/71/13/828047113.db2.gz PMYOYXHQWIXYBS-BETUJISGSA-N 2 1 257.378 -0.421 20 0 CBADMP COCC[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001274981642 828047125 /nfs/dbraw/zinc/04/71/25/828047125.db2.gz PMYOYXHQWIXYBS-BETUJISGSA-N 2 1 257.378 -0.421 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](C[C@H]3CCC(=O)N3)C[C@@H]21 ZINC001275188981 828063798 /nfs/dbraw/zinc/06/37/98/828063798.db2.gz RMEXECYRPCYHDS-RDBSUJKOSA-N 2 1 296.415 -0.788 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2C[C@H]1CCC(=O)N1 ZINC001275189125 828064945 /nfs/dbraw/zinc/06/49/45/828064945.db2.gz XJDCHDBYPVQWCW-UPJWGTAASA-N 2 1 266.389 -0.415 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2C[C@H]1CCC(=O)N1 ZINC001275189125 828064950 /nfs/dbraw/zinc/06/49/50/828064950.db2.gz XJDCHDBYPVQWCW-UPJWGTAASA-N 2 1 266.389 -0.415 20 0 CBADMP CCOCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001275451050 828088121 /nfs/dbraw/zinc/08/81/21/828088121.db2.gz HDDSJZPRVLHPFG-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001275451050 828088127 /nfs/dbraw/zinc/08/81/27/828088127.db2.gz HDDSJZPRVLHPFG-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnon1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001275445499 828088627 /nfs/dbraw/zinc/08/86/27/828088627.db2.gz HXLFOCPKWHBESG-VHSXEESVSA-N 2 1 267.333 -0.384 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnon1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001275445499 828088635 /nfs/dbraw/zinc/08/86/35/828088635.db2.gz HXLFOCPKWHBESG-VHSXEESVSA-N 2 1 267.333 -0.384 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CCCO ZINC001275793856 828115527 /nfs/dbraw/zinc/11/55/27/828115527.db2.gz WFPIITALIVBKSO-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CCCO ZINC001275793856 828115529 /nfs/dbraw/zinc/11/55/29/828115529.db2.gz WFPIITALIVBKSO-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CCCO ZINC001275793856 828115532 /nfs/dbraw/zinc/11/55/32/828115532.db2.gz WFPIITALIVBKSO-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)CCCO ZINC001275793851 828115825 /nfs/dbraw/zinc/11/58/25/828115825.db2.gz WFPIITALIVBKSO-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)CCCO ZINC001275793851 828115831 /nfs/dbraw/zinc/11/58/31/828115831.db2.gz WFPIITALIVBKSO-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)CCCO ZINC001275793851 828115836 /nfs/dbraw/zinc/11/58/36/828115836.db2.gz WFPIITALIVBKSO-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H](C1)O2 ZINC001276713335 828156797 /nfs/dbraw/zinc/15/67/97/828156797.db2.gz CJYOBQOMPMKAOR-IYBDPMFKSA-N 3 1 296.459 -0.067 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCOCCO)C1 ZINC001276946909 828167682 /nfs/dbraw/zinc/16/76/82/828167682.db2.gz OSUIUNQBUJMRBU-IHRRRGAJSA-N 2 1 299.415 -0.426 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC1([NH2+]CCCO)CC1 ZINC001277202672 828179005 /nfs/dbraw/zinc/17/90/05/828179005.db2.gz PJLQZOQAEQDITP-UHFFFAOYSA-N 2 1 285.388 -0.671 20 0 CBADMP COC[C@H](C(=O)OC)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001277573895 828195774 /nfs/dbraw/zinc/19/57/74/828195774.db2.gz BSTZEOTXLKVPKZ-MELADBBJSA-N 2 1 299.415 -0.115 20 0 CBADMP COC[C@H](C(=O)OC)N1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001277573895 828195777 /nfs/dbraw/zinc/19/57/77/828195777.db2.gz BSTZEOTXLKVPKZ-MELADBBJSA-N 2 1 299.415 -0.115 20 0 CBADMP CN(C)C(=O)CC[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277636228 828199983 /nfs/dbraw/zinc/19/99/83/828199983.db2.gz GVUUSMLERQDZCQ-OKILXGFUSA-N 2 1 298.431 -0.589 20 0 CBADMP NC(=O)C1=NO[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001277822851 828211851 /nfs/dbraw/zinc/21/18/51/828211851.db2.gz ZMFJUIAQHSLRNC-VHSXEESVSA-N 2 1 252.318 -0.842 20 0 CBADMP CCOCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277859569 828214487 /nfs/dbraw/zinc/21/44/87/828214487.db2.gz ZOGYPFLKCPHZPN-KGLIPLIRSA-N 2 1 271.405 -0.031 20 0 CBADMP CC(=O)NCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001277905748 828217664 /nfs/dbraw/zinc/21/76/64/828217664.db2.gz JSTAPHOAXFQZRI-STQMWFEESA-N 2 1 294.399 -0.735 20 0 CBADMP C[NH+](C)CCN1CCO[C@@]2(CCC[N@H+](CC(N)=O)C2)C1 ZINC001277980592 828225466 /nfs/dbraw/zinc/22/54/66/828225466.db2.gz ABWBVDHXAHHLHF-AWEZNQCLSA-N 2 1 284.404 -0.800 20 0 CBADMP C[NH+](C)CCN1CCO[C@@]2(CCC[N@@H+](CC(N)=O)C2)C1 ZINC001277980592 828225467 /nfs/dbraw/zinc/22/54/67/828225467.db2.gz ABWBVDHXAHHLHF-AWEZNQCLSA-N 2 1 284.404 -0.800 20 0 CBADMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](CC(N)=O)C2 ZINC001277981056 828226551 /nfs/dbraw/zinc/22/65/51/828226551.db2.gz GAOOTUIMKUHIFK-AWEZNQCLSA-N 2 1 268.405 -0.179 20 0 CBADMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC001277981056 828226558 /nfs/dbraw/zinc/22/65/58/828226558.db2.gz GAOOTUIMKUHIFK-AWEZNQCLSA-N 2 1 268.405 -0.179 20 0 CBADMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](CC(N)=O)C[C@H]2CC1 ZINC001277982105 828226858 /nfs/dbraw/zinc/22/68/58/828226858.db2.gz TVRAYAMMJWAGKZ-BETUJISGSA-N 2 1 268.405 -0.323 20 0 CBADMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2CC1 ZINC001277982105 828226862 /nfs/dbraw/zinc/22/68/62/828226862.db2.gz TVRAYAMMJWAGKZ-BETUJISGSA-N 2 1 268.405 -0.323 20 0 CBADMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1 ZINC001277982105 828226866 /nfs/dbraw/zinc/22/68/66/828226866.db2.gz TVRAYAMMJWAGKZ-BETUJISGSA-N 2 1 268.405 -0.323 20 0 CBADMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2CC1 ZINC001277982105 828226872 /nfs/dbraw/zinc/22/68/72/828226872.db2.gz TVRAYAMMJWAGKZ-BETUJISGSA-N 2 1 268.405 -0.323 20 0 CBADMP C[NH+](C)CCN1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1 ZINC001277982105 828226875 /nfs/dbraw/zinc/22/68/75/828226875.db2.gz TVRAYAMMJWAGKZ-BETUJISGSA-N 2 1 268.405 -0.323 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCCO)C1 ZINC001277997673 828228610 /nfs/dbraw/zinc/22/86/10/828228610.db2.gz QAZYITQWXNUHMV-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCOCCO)C1 ZINC001277997815 828228673 /nfs/dbraw/zinc/22/86/73/828228673.db2.gz UEZWZCGDMJVBRL-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001278077311 828242148 /nfs/dbraw/zinc/24/21/48/828242148.db2.gz IFWIYAYRYQOYGZ-RYUDHWBXSA-N 2 1 257.378 -0.054 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCO)C1 ZINC001278468984 828271776 /nfs/dbraw/zinc/27/17/76/828271776.db2.gz GGEPKHHMUOGHRG-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001278804308 828292263 /nfs/dbraw/zinc/29/22/63/828292263.db2.gz PZCBNIMAYAXBNZ-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001278828934 828293604 /nfs/dbraw/zinc/29/36/04/828293604.db2.gz RJMNJCMBBIQSIU-ZDUSSCGKSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001278828934 828293610 /nfs/dbraw/zinc/29/36/10/828293610.db2.gz RJMNJCMBBIQSIU-ZDUSSCGKSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001278828934 828293616 /nfs/dbraw/zinc/29/36/16/828293616.db2.gz RJMNJCMBBIQSIU-ZDUSSCGKSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCC(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001278903315 828308358 /nfs/dbraw/zinc/30/83/58/828308358.db2.gz JWIXQQMOPJLQKV-UHFFFAOYSA-N 2 1 269.389 -0.099 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCO)C1 ZINC001279124509 828317734 /nfs/dbraw/zinc/31/77/34/828317734.db2.gz LQJUEYGFLQJARD-WCQYABFASA-N 2 1 280.372 -0.132 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC001349657185 890859815 /nfs/dbraw/zinc/85/98/15/890859815.db2.gz ZRRZMOPEBSAOOC-RYUDHWBXSA-N 2 1 256.394 -0.277 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001152426478 884676694 /nfs/dbraw/zinc/67/66/94/884676694.db2.gz JKVUEXPCGZQBDO-LLVKDONJSA-N 2 1 270.377 -0.689 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188146139 884722414 /nfs/dbraw/zinc/72/24/14/884722414.db2.gz VVZBHPXDQFNRSC-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH2+]CCN(C)C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC001326376057 885011161 /nfs/dbraw/zinc/01/11/61/885011161.db2.gz RSZLSCIWNFKLBB-VIFPVBQESA-N 2 1 251.334 -0.222 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC[C@@H]1[NH3+] ZINC001326501396 885049585 /nfs/dbraw/zinc/04/95/85/885049585.db2.gz DYNOBXYBQZMPKM-AGIUHOORSA-N 3 1 268.405 -0.147 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)N1CC[NH+](C)CC1 ZINC001326582826 885072617 /nfs/dbraw/zinc/07/26/17/885072617.db2.gz SIMKKEJSFSOWAU-JHJVBQTASA-N 2 1 268.405 -0.182 20 0 CBADMP COC(=O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001329316034 886011116 /nfs/dbraw/zinc/01/11/16/886011116.db2.gz PQPAREGTVLWPJV-UHFFFAOYSA-N 2 1 267.333 -0.583 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](C[NH3+])C2)C1 ZINC001329429090 886063289 /nfs/dbraw/zinc/06/32/89/886063289.db2.gz YOFFLTMRUBWRMM-VXGBXAGGSA-N 2 1 254.378 -0.536 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001330869905 886607573 /nfs/dbraw/zinc/60/75/73/886607573.db2.gz JIUODWSNLOUCBL-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCCS(=O)(=O)C1 ZINC001331755879 886958251 /nfs/dbraw/zinc/95/82/51/886958251.db2.gz QIPXYVGIPYPCAK-GFCCVEGCSA-N 2 1 278.418 -0.021 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCCS(=O)(=O)C1 ZINC001331755879 886958256 /nfs/dbraw/zinc/95/82/56/886958256.db2.gz QIPXYVGIPYPCAK-GFCCVEGCSA-N 2 1 278.418 -0.021 20 0 CBADMP NC(=O)C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCOCC1 ZINC001331932298 887050464 /nfs/dbraw/zinc/05/04/64/887050464.db2.gz HBHARNBSKMGYPX-LLVKDONJSA-N 2 1 255.362 -0.048 20 0 CBADMP [NH3+]CCOCC[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001332280067 887180358 /nfs/dbraw/zinc/18/03/58/887180358.db2.gz ZCKNHRZDLHEHRA-GHMZBOCLSA-N 2 1 262.375 -0.672 20 0 CBADMP [NH3+]CCOCC[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001332280067 887180364 /nfs/dbraw/zinc/18/03/64/887180364.db2.gz ZCKNHRZDLHEHRA-GHMZBOCLSA-N 2 1 262.375 -0.672 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC001332334612 887208291 /nfs/dbraw/zinc/20/82/91/887208291.db2.gz NTSVUHKQHBPWLX-NEPJUHHUSA-N 3 1 255.362 -0.586 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC001332334612 887208307 /nfs/dbraw/zinc/20/83/07/887208307.db2.gz NTSVUHKQHBPWLX-NEPJUHHUSA-N 3 1 255.362 -0.586 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[NH2+]CC2)C1 ZINC001332339091 887212389 /nfs/dbraw/zinc/21/23/89/887212389.db2.gz JQKLWAZVMNFRKT-GFCCVEGCSA-N 3 1 254.378 -0.521 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[NH2+]CC2)C1 ZINC001332339091 887212404 /nfs/dbraw/zinc/21/24/04/887212404.db2.gz JQKLWAZVMNFRKT-GFCCVEGCSA-N 3 1 254.378 -0.521 20 0 CBADMP C[C@H](C(=O)N1CCC(C)([NH3+])CC1)N1CC[NH+](C)CC1 ZINC001332452738 887289919 /nfs/dbraw/zinc/28/99/19/887289919.db2.gz ZRPQECKFLMFKRR-GFCCVEGCSA-N 2 1 268.405 -0.038 20 0 CBADMP CC(C)=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001332487261 887314051 /nfs/dbraw/zinc/31/40/51/887314051.db2.gz GBFKZHKKIIXIQW-ZIAGYGMSSA-N 2 1 299.415 -0.308 20 0 CBADMP CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1CCCCC[C@H]1N ZINC001332876256 887458035 /nfs/dbraw/zinc/45/80/35/887458035.db2.gz DWQKDNBXXTZBLC-MXWKQRLJSA-N 2 1 264.391 -0.359 20 0 CBADMP C[NH+]1CCC(NC(=O)C[NH+]2CCC(O)CC2)CC1 ZINC001333395214 887620867 /nfs/dbraw/zinc/62/08/67/887620867.db2.gz XUMKPANHNDQWTO-UHFFFAOYSA-N 2 1 255.362 -0.347 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333584208 887703965 /nfs/dbraw/zinc/70/39/65/887703965.db2.gz LPKGZJLAJAFCHA-RYUDHWBXSA-N 2 1 270.377 -0.290 20 0 CBADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H]1CNC(=O)C1)CCO2 ZINC001333608412 887713267 /nfs/dbraw/zinc/71/32/67/887713267.db2.gz ZKRKZQAPTDEDRM-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1CCN1C ZINC001334870678 888350251 /nfs/dbraw/zinc/35/02/51/888350251.db2.gz KFVFQGZWEITZNE-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC001334870678 888350260 /nfs/dbraw/zinc/35/02/60/888350260.db2.gz KFVFQGZWEITZNE-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC001334870678 888350270 /nfs/dbraw/zinc/35/02/70/888350270.db2.gz KFVFQGZWEITZNE-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC001334870678 888350277 /nfs/dbraw/zinc/35/02/77/888350277.db2.gz KFVFQGZWEITZNE-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC001334870678 888350286 /nfs/dbraw/zinc/35/02/86/888350286.db2.gz KFVFQGZWEITZNE-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001335251283 888469100 /nfs/dbraw/zinc/46/91/00/888469100.db2.gz AKUNXKFEQCVXSK-COPLHBTASA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@H](NC[C@@H](O)C[NH+](C)C1CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001335987495 888666785 /nfs/dbraw/zinc/66/67/85/888666785.db2.gz SMRHBRYMGKEFGL-CFVMTHIKSA-N 2 1 284.448 -0.335 20 0 CBADMP C[C@H](NC[C@@H](O)C[NH+](C)C1CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001335987495 888666801 /nfs/dbraw/zinc/66/68/01/888666801.db2.gz SMRHBRYMGKEFGL-CFVMTHIKSA-N 2 1 284.448 -0.335 20 0 CBADMP C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)C2(O)CCOCC2)C1 ZINC001336732948 888860708 /nfs/dbraw/zinc/86/07/08/888860708.db2.gz ISAQWCGLYORIFS-VXGBXAGGSA-N 2 1 258.362 -0.570 20 0 CBADMP CC[NH2+]CCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001336905766 888917434 /nfs/dbraw/zinc/91/74/34/888917434.db2.gz IXVZWJIBGFEFFH-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC001338353632 889146451 /nfs/dbraw/zinc/14/64/51/889146451.db2.gz QKGWNABKZIDTDE-WDEREUQCSA-N 2 1 282.388 -0.608 20 0 CBADMP CN1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC[N@H+](C)CC1 ZINC001341395012 889588920 /nfs/dbraw/zinc/58/89/20/889588920.db2.gz HZCVOZVAOBPYAD-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC[N@@H+](C)CC1 ZINC001341395012 889588931 /nfs/dbraw/zinc/58/89/31/889588931.db2.gz HZCVOZVAOBPYAD-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001341619231 889634970 /nfs/dbraw/zinc/63/49/70/889634970.db2.gz KGDYPMDOCUOLCI-UHFFFAOYSA-N 2 1 257.378 -0.066 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001341677632 889646825 /nfs/dbraw/zinc/64/68/25/889646825.db2.gz QVFMNCJKANXPNG-GXTWGEPZSA-N 2 1 269.389 -0.051 20 0 CBADMP C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@H](O)C[NH2+]1 ZINC001341695504 889648278 /nfs/dbraw/zinc/64/82/78/889648278.db2.gz GNLJTKJRGXCSAH-MBNYWOFBSA-N 2 1 267.373 -0.300 20 0 CBADMP CC[C@@H]([NH3+])C(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001341781265 889664162 /nfs/dbraw/zinc/66/41/62/889664162.db2.gz QCUPBYZJASWCNY-NOZJJQNGSA-N 2 1 263.345 -0.280 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](O)COC ZINC001443675628 912253667 /nfs/dbraw/zinc/25/36/67/912253667.db2.gz LNSPBHMXUKGYEO-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)COC ZINC001443675628 912253678 /nfs/dbraw/zinc/25/36/78/912253678.db2.gz LNSPBHMXUKGYEO-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)COC ZINC001443675628 912253694 /nfs/dbraw/zinc/25/36/94/912253694.db2.gz LNSPBHMXUKGYEO-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001341940429 889686591 /nfs/dbraw/zinc/68/65/91/889686591.db2.gz IPKJESGEDZVFGU-WOPDTQHZSA-N 2 1 256.394 -0.265 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001443768894 912273333 /nfs/dbraw/zinc/27/33/33/912273333.db2.gz VTEPMBCDJSVHHE-AGIUHOORSA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001443768894 912273351 /nfs/dbraw/zinc/27/33/51/912273351.db2.gz VTEPMBCDJSVHHE-AGIUHOORSA-N 2 1 296.415 -0.348 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001443766010 912273897 /nfs/dbraw/zinc/27/38/97/912273897.db2.gz NQAMYNYGPAZMKJ-NEPJUHHUSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001443766010 912273908 /nfs/dbraw/zinc/27/39/08/912273908.db2.gz NQAMYNYGPAZMKJ-NEPJUHHUSA-N 2 1 294.399 -0.593 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001443768895 912274627 /nfs/dbraw/zinc/27/46/27/912274627.db2.gz VTEPMBCDJSVHHE-UPJWGTAASA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001443768895 912274643 /nfs/dbraw/zinc/27/46/43/912274643.db2.gz VTEPMBCDJSVHHE-UPJWGTAASA-N 2 1 296.415 -0.348 20 0 CBADMP CC[NH+]1CCN(CCC(=O)NOC[C@H](C)[NH3+])CC1 ZINC001342248612 889738973 /nfs/dbraw/zinc/73/89/73/889738973.db2.gz RQYQWIHEJXQBOI-NSHDSACASA-N 2 1 258.366 -0.591 20 0 CBADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C1(C[NH3+])CC(O)C1 ZINC001342347804 889755960 /nfs/dbraw/zinc/75/59/60/889755960.db2.gz KBONWDNGRMQSIX-BEVNXUHPSA-N 2 1 267.373 -0.219 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001444321548 912422083 /nfs/dbraw/zinc/42/20/83/912422083.db2.gz FBGYWFGXCDEJLM-LLVKDONJSA-N 2 1 284.404 -0.441 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001444363992 912434007 /nfs/dbraw/zinc/43/40/07/912434007.db2.gz MNZNUTDVNFKQCE-JTQLQIEISA-N 2 1 281.360 -0.721 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC001344519120 890036490 /nfs/dbraw/zinc/03/64/90/890036490.db2.gz SJXBIQBBCWOMMO-CYDGBPFRSA-N 2 1 269.389 -0.102 20 0 CBADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC001345185525 890111313 /nfs/dbraw/zinc/11/13/13/890111313.db2.gz WKUWYLIFRSRGQG-STQMWFEESA-N 2 1 269.345 -0.316 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001444862398 912513112 /nfs/dbraw/zinc/51/31/12/912513112.db2.gz LSLQAEIOFFWJIH-QWRGUYRKSA-N 2 1 270.377 -0.704 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001444880073 912514388 /nfs/dbraw/zinc/51/43/88/912514388.db2.gz KNMDFRJRDLSIHZ-LBPRGKRZSA-N 2 1 295.387 -0.332 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]([NH2+]CC(N)=O)C(C)C ZINC001444923395 912517311 /nfs/dbraw/zinc/51/73/11/912517311.db2.gz DEKAKTDQLUVZCA-NSHDSACASA-N 2 1 281.360 -0.593 20 0 CBADMP CO[C@H](C)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001444971933 912531841 /nfs/dbraw/zinc/53/18/41/912531841.db2.gz ZMCQRFRKPDPMQM-OLZOCXBDSA-N 2 1 287.404 -0.258 20 0 CBADMP CO[C@H](C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001444971933 912531846 /nfs/dbraw/zinc/53/18/46/912531846.db2.gz ZMCQRFRKPDPMQM-OLZOCXBDSA-N 2 1 287.404 -0.258 20 0 CBADMP CO[C@H](C)C[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001444971933 912531856 /nfs/dbraw/zinc/53/18/56/912531856.db2.gz ZMCQRFRKPDPMQM-OLZOCXBDSA-N 2 1 287.404 -0.258 20 0 CBADMP CO[C@H](C)C[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001444971933 912531865 /nfs/dbraw/zinc/53/18/65/912531865.db2.gz ZMCQRFRKPDPMQM-OLZOCXBDSA-N 2 1 287.404 -0.258 20 0 CBADMP CN(CC[N@H+](C)CC(=O)N1CCC1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001445083718 912554405 /nfs/dbraw/zinc/55/44/05/912554405.db2.gz LWVBFXQANPTDDC-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP CN(CC[N@@H+](C)CC(=O)N1CCC1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001445083718 912554425 /nfs/dbraw/zinc/55/44/25/912554425.db2.gz LWVBFXQANPTDDC-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP CN(CC[NH+](C)CC(=O)N1CCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001445083718 912554440 /nfs/dbraw/zinc/55/44/40/912554440.db2.gz LWVBFXQANPTDDC-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP CN(CC[NH+](C)CC(=O)N1CCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445083718 912554455 /nfs/dbraw/zinc/55/44/55/912554455.db2.gz LWVBFXQANPTDDC-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP NC(=O)NC(=O)CC[NH2+][C@@H]1CCc2c[nH+]cn2C1 ZINC001346137031 890221872 /nfs/dbraw/zinc/22/18/72/890221872.db2.gz SYBDKDRYFVLKEF-MRVPVSSYSA-N 2 1 251.290 -0.628 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(N)=O)C1 ZINC001445148420 912580568 /nfs/dbraw/zinc/58/05/68/912580568.db2.gz XFPWVHSOEHHOCH-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001347156980 890418330 /nfs/dbraw/zinc/41/83/30/890418330.db2.gz FYPJNMUYKUEDGP-UHTWSYAYSA-N 2 1 267.373 -0.049 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001347156978 890418393 /nfs/dbraw/zinc/41/83/93/890418393.db2.gz FYPJNMUYKUEDGP-RTXFEEFZSA-N 2 1 267.373 -0.049 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001445501049 912678541 /nfs/dbraw/zinc/67/85/41/912678541.db2.gz IXGUOAJBTLZWQZ-MWLCHTKSSA-N 2 1 279.344 -0.826 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445506442 912679753 /nfs/dbraw/zinc/67/97/53/912679753.db2.gz WZCAHCPFRFRJDH-YPMHNXCESA-N 2 1 279.388 -0.034 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001445609583 912711357 /nfs/dbraw/zinc/71/13/57/912711357.db2.gz ZTGNQERHLHOSPP-QWRGUYRKSA-N 2 1 270.377 -0.832 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445648623 912723487 /nfs/dbraw/zinc/72/34/87/912723487.db2.gz OITVJQAQKJBQPK-WDEREUQCSA-N 2 1 280.376 -0.639 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H](C)C(=O)NC ZINC001445844192 912771396 /nfs/dbraw/zinc/77/13/96/912771396.db2.gz VUROGYPRKIQOKW-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H](C)C(=O)NC ZINC001445844192 912771408 /nfs/dbraw/zinc/77/14/08/912771408.db2.gz VUROGYPRKIQOKW-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(=O)NC ZINC001445844192 912771419 /nfs/dbraw/zinc/77/14/19/912771419.db2.gz VUROGYPRKIQOKW-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)NC ZINC001445844192 912771429 /nfs/dbraw/zinc/77/14/29/912771429.db2.gz VUROGYPRKIQOKW-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001445866622 912774248 /nfs/dbraw/zinc/77/42/48/912774248.db2.gz HKEHLUBSNAUOJN-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C[N@@H+](C)CCn1cncn1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001445869151 912774619 /nfs/dbraw/zinc/77/46/19/912774619.db2.gz MNUHWHFRNRWHMM-QWHCGFSZSA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@@H](C[NH+](C)CCn1cncn1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445869151 912774628 /nfs/dbraw/zinc/77/46/28/912774628.db2.gz MNUHWHFRNRWHMM-QWHCGFSZSA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@@H](C[NH+](C)CCn1cncn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445869151 912774633 /nfs/dbraw/zinc/77/46/33/912774633.db2.gz MNUHWHFRNRWHMM-QWHCGFSZSA-N 2 1 294.403 -0.334 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001445866624 912777549 /nfs/dbraw/zinc/77/75/49/912777549.db2.gz HKEHLUBSNAUOJN-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001446076868 912812850 /nfs/dbraw/zinc/81/28/50/912812850.db2.gz RDNIKBOAEWVWTM-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@@H]3CCOC3)CC2)C1 ZINC001446152368 912825794 /nfs/dbraw/zinc/82/57/94/912825794.db2.gz QRUUXOFQHAJRTJ-QWHCGFSZSA-N 2 1 297.399 -0.408 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@@H]3CCOC3)CC2)C1 ZINC001446152368 912825806 /nfs/dbraw/zinc/82/58/06/912825806.db2.gz QRUUXOFQHAJRTJ-QWHCGFSZSA-N 2 1 297.399 -0.408 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NC[C@H]2CC[N@H+](CCO)C2)no1 ZINC001028645239 884615528 /nfs/dbraw/zinc/61/55/28/884615528.db2.gz ARTCDYYFWXAHKZ-LLVKDONJSA-N 2 1 296.371 -0.220 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NC[C@H]2CC[N@@H+](CCO)C2)no1 ZINC001028645239 884615540 /nfs/dbraw/zinc/61/55/40/884615540.db2.gz ARTCDYYFWXAHKZ-LLVKDONJSA-N 2 1 296.371 -0.220 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001446280315 912856152 /nfs/dbraw/zinc/85/61/52/912856152.db2.gz WONHLYFBUIMWEE-QWRGUYRKSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176564084 884704162 /nfs/dbraw/zinc/70/41/62/884704162.db2.gz LCWOURBHWRVETD-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001188146198 884720709 /nfs/dbraw/zinc/72/07/09/884720709.db2.gz YSLDPQHETJEGFY-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001188146198 884720724 /nfs/dbraw/zinc/72/07/24/884720724.db2.gz YSLDPQHETJEGFY-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001188145980 884721039 /nfs/dbraw/zinc/72/10/39/884721039.db2.gz UKQHZROQMFFDCI-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001188145980 884721053 /nfs/dbraw/zinc/72/10/53/884721053.db2.gz UKQHZROQMFFDCI-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001188145690 884721916 /nfs/dbraw/zinc/72/19/16/884721916.db2.gz JOEJLDHPPQDDLL-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001446280313 912855493 /nfs/dbraw/zinc/85/54/93/912855493.db2.gz WONHLYFBUIMWEE-MNOVXSKESA-N 2 1 282.388 -0.689 20 0 CBADMP NC(=O)COc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206467838 884758024 /nfs/dbraw/zinc/75/80/24/884758024.db2.gz AYMXNJGMXBBPJW-WCQYABFASA-N 2 1 279.340 -0.698 20 0 CBADMP NC(=O)COc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206467838 884758036 /nfs/dbraw/zinc/75/80/36/884758036.db2.gz AYMXNJGMXBBPJW-WCQYABFASA-N 2 1 279.340 -0.698 20 0 CBADMP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206464668 884758343 /nfs/dbraw/zinc/75/83/43/884758343.db2.gz RYXMOTMOGMDULP-ISTVAULSSA-N 2 1 293.367 -0.643 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001211367369 884770407 /nfs/dbraw/zinc/77/04/07/884770407.db2.gz RKKYVSXLMTVDSU-GRYCIOLGSA-N 2 1 284.404 -0.363 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001211367369 884770416 /nfs/dbraw/zinc/77/04/16/884770416.db2.gz RKKYVSXLMTVDSU-GRYCIOLGSA-N 2 1 284.404 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001211367369 884770429 /nfs/dbraw/zinc/77/04/29/884770429.db2.gz RKKYVSXLMTVDSU-GRYCIOLGSA-N 2 1 284.404 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001211367369 884770434 /nfs/dbraw/zinc/77/04/34/884770434.db2.gz RKKYVSXLMTVDSU-GRYCIOLGSA-N 2 1 284.404 -0.363 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418129 884775967 /nfs/dbraw/zinc/77/59/67/884775967.db2.gz BNKKHCVXRHEHJO-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212418129 884775971 /nfs/dbraw/zinc/77/59/71/884775971.db2.gz BNKKHCVXRHEHJO-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212418129 884775982 /nfs/dbraw/zinc/77/59/82/884775982.db2.gz BNKKHCVXRHEHJO-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378120 884778806 /nfs/dbraw/zinc/77/88/06/884778806.db2.gz DONLFYLZTIHAJA-BFHYXJOUSA-N 2 1 299.415 -0.210 20 0 CBADMP C[C@@H](C[NH3+])C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219795511 884792115 /nfs/dbraw/zinc/79/21/15/884792115.db2.gz BBEFKVZMEUJRJP-NSHDSACASA-N 2 1 268.405 -0.086 20 0 CBADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219796022 884792154 /nfs/dbraw/zinc/79/21/54/884792154.db2.gz JHOCWATXAQDXHO-ZIAGYGMSSA-N 2 1 296.415 -0.958 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(CCO)CC[NH2+]CCF ZINC001326061756 884895070 /nfs/dbraw/zinc/89/50/70/884895070.db2.gz DWXTXCRFUKYEMA-UHFFFAOYSA-N 2 1 272.324 -0.428 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001446420908 912881690 /nfs/dbraw/zinc/88/16/90/912881690.db2.gz PVVZWGVEIPNCES-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC001326309519 884981381 /nfs/dbraw/zinc/98/13/81/884981381.db2.gz NDLVLWSJRNMMEX-CHWSQXEVSA-N 2 1 268.405 -0.310 20 0 CBADMP CCC(=O)N1CCC[N@@H+](CCN2CC[NH2+]CC2)CC1 ZINC001326584273 885073839 /nfs/dbraw/zinc/07/38/39/885073839.db2.gz UJSUVBWTFAOWAB-UHFFFAOYSA-N 2 1 268.405 -0.164 20 0 CBADMP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1 ZINC001326596797 885081847 /nfs/dbraw/zinc/08/18/47/885081847.db2.gz NWCRZZFUWUEBDI-HOCLYGCPSA-N 3 1 296.459 -0.165 20 0 CBADMP C[C@H]([NH2+]C[C@H](O)CN1CCN(C)CC1)C1=CC[N@H+](C)CC1 ZINC001326596797 885081857 /nfs/dbraw/zinc/08/18/57/885081857.db2.gz NWCRZZFUWUEBDI-HOCLYGCPSA-N 2 1 296.459 -0.165 20 0 CBADMP C[C@H]([NH2+]C[C@H](O)CN1CCN(C)CC1)C1=CC[N@@H+](C)CC1 ZINC001326596797 885081872 /nfs/dbraw/zinc/08/18/72/885081872.db2.gz NWCRZZFUWUEBDI-HOCLYGCPSA-N 2 1 296.459 -0.165 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCCCO ZINC001326950208 885199570 /nfs/dbraw/zinc/19/95/70/885199570.db2.gz YEKPBSCNSQQJQK-GFCCVEGCSA-N 2 1 272.393 -0.016 20 0 CBADMP CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001326967880 885207726 /nfs/dbraw/zinc/20/77/26/885207726.db2.gz SSQQQDCWQFFVEL-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001326967880 885207735 /nfs/dbraw/zinc/20/77/35/885207735.db2.gz SSQQQDCWQFFVEL-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001326967886 885208491 /nfs/dbraw/zinc/20/84/91/885208491.db2.gz SSQQQDCWQFFVEL-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001326967886 885208506 /nfs/dbraw/zinc/20/85/06/885208506.db2.gz SSQQQDCWQFFVEL-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CCCCO)CC1 ZINC001327054965 885235562 /nfs/dbraw/zinc/23/55/62/885235562.db2.gz WYFRXZCGRZYQHC-AWEZNQCLSA-N 2 1 273.421 -0.311 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC001327060136 885239172 /nfs/dbraw/zinc/23/91/72/885239172.db2.gz SAKBTJOBUQCGPN-JQWIXIFHSA-N 2 1 265.361 -0.204 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001446577261 912912615 /nfs/dbraw/zinc/91/26/15/912912615.db2.gz WWGKDYLJCWZMGU-FZMZJTMJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC001327060602 885241704 /nfs/dbraw/zinc/24/17/04/885241704.db2.gz SAKBTJOBUQCGPN-PWSUYJOCSA-N 2 1 265.361 -0.204 20 0 CBADMP C[NH2+]C[C@@](C)(O)CN1CC[NH+](CCOCCOC)CC1 ZINC001327322697 885326175 /nfs/dbraw/zinc/32/61/75/885326175.db2.gz GLNPQOPPQDOVGK-CQSZACIVSA-N 2 1 289.420 -0.763 20 0 CBADMP C[NH2+][C@@H](C(=O)NCCC1(C[NH3+])CC1)c1cnn(C)c1 ZINC001327450910 885358387 /nfs/dbraw/zinc/35/83/87/885358387.db2.gz ZTXGCGVTZHMYIM-LLVKDONJSA-N 2 1 265.361 -0.074 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001327471965 885368843 /nfs/dbraw/zinc/36/88/43/885368843.db2.gz PAHRZSDSFFWSOI-SDDRHHMPSA-N 2 1 280.372 -0.793 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC[C@@H](C)[NH2+]C)C(C)C ZINC001327549689 885401802 /nfs/dbraw/zinc/40/18/02/885401802.db2.gz BUXSWHFKASKVQP-GFCCVEGCSA-N 2 1 286.420 -0.053 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001446758156 912937740 /nfs/dbraw/zinc/93/77/40/912937740.db2.gz NEYGQVWMQJKUNB-GXTWGEPZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])C1=CC[N@@H+](C)CC1 ZINC001327834449 885493775 /nfs/dbraw/zinc/49/37/75/885493775.db2.gz KORJQPGIDPCIDR-NSHDSACASA-N 2 1 282.388 -0.440 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+](C[C@@H](C)O)C1 ZINC001446788195 912951884 /nfs/dbraw/zinc/95/18/84/912951884.db2.gz BCERVYVKUKUPNS-TZMCWYRMSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001446788195 912951898 /nfs/dbraw/zinc/95/18/98/912951898.db2.gz BCERVYVKUKUPNS-TZMCWYRMSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001446788195 912951909 /nfs/dbraw/zinc/95/19/09/912951909.db2.gz BCERVYVKUKUPNS-TZMCWYRMSA-N 2 1 287.404 -0.738 20 0 CBADMP CN(C)C(=O)[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCN1 ZINC001328398342 885668519 /nfs/dbraw/zinc/66/85/19/885668519.db2.gz JICRYUGOCFHOIS-NEPJUHHUSA-N 2 1 254.378 -0.652 20 0 CBADMP CN(C)C(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCN1 ZINC001328398342 885668531 /nfs/dbraw/zinc/66/85/31/885668531.db2.gz JICRYUGOCFHOIS-NEPJUHHUSA-N 2 1 254.378 -0.652 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001328401415 885672746 /nfs/dbraw/zinc/67/27/46/885672746.db2.gz YIVBGPBINVSQDM-QWHCGFSZSA-N 3 1 268.405 -0.275 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)c1cnn(C)c1 ZINC001328504656 885709280 /nfs/dbraw/zinc/70/92/80/885709280.db2.gz QJMSSBOWMALLRW-DCAQKATOSA-N 2 1 269.324 -0.503 20 0 CBADMP C[N@@H+]1CC[C@H](CNC(=O)CN2CC[NH+](C)CC2)C1 ZINC001328715092 885787148 /nfs/dbraw/zinc/78/71/48/885787148.db2.gz RYZCWBQKXYUZPU-GFCCVEGCSA-N 2 1 254.378 -0.698 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)CN2CC[NH+](C)CC2)C1 ZINC001328715092 885787161 /nfs/dbraw/zinc/78/71/61/885787161.db2.gz RYZCWBQKXYUZPU-GFCCVEGCSA-N 2 1 254.378 -0.698 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC(C[NH2+]CCO)C1 ZINC001328939829 885852403 /nfs/dbraw/zinc/85/24/03/885852403.db2.gz BHWYNTSYDPXWQC-UHFFFAOYSA-N 2 1 257.378 -0.195 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC001329021993 885887376 /nfs/dbraw/zinc/88/73/76/885887376.db2.gz BBYAPURADRCCRA-UHFFFAOYSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001329024113 885887825 /nfs/dbraw/zinc/88/78/25/885887825.db2.gz PYGDFCKVLKDJLJ-UHFFFAOYSA-N 2 1 270.377 -0.654 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NCCCCN1CC[NH+](C)CC1 ZINC001329253906 885984248 /nfs/dbraw/zinc/98/42/48/885984248.db2.gz PFMVNNBCHYXCSH-ZDUSSCGKSA-N 2 1 286.420 -0.506 20 0 CBADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001329498720 886096108 /nfs/dbraw/zinc/09/61/08/886096108.db2.gz HYQOTOMRIHKKEM-FRRDWIJNSA-N 3 1 268.405 -0.277 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC[N@@H+]1C ZINC001329504409 886099569 /nfs/dbraw/zinc/09/95/69/886099569.db2.gz IHSKCZDKVUFGEN-JHJVBQTASA-N 2 1 296.415 -0.267 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC[N@H+]1C ZINC001329504409 886099580 /nfs/dbraw/zinc/09/95/80/886099580.db2.gz IHSKCZDKVUFGEN-JHJVBQTASA-N 2 1 296.415 -0.267 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC001329675969 886170342 /nfs/dbraw/zinc/17/03/42/886170342.db2.gz UEIXLPVMGZZYKP-OLZOCXBDSA-N 2 1 257.378 -0.195 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(N(C)C(C)=O)CC1 ZINC001329674749 886171130 /nfs/dbraw/zinc/17/11/30/886171130.db2.gz JFZQTFZSBGISDM-CYBMUJFWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001329760475 886198748 /nfs/dbraw/zinc/19/87/48/886198748.db2.gz QQOPFOBQFYJOKC-FRRDWIJNSA-N 2 1 268.405 -0.040 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC001329937277 886287063 /nfs/dbraw/zinc/28/70/63/886287063.db2.gz LSFKNKCGARZVIL-QWRGUYRKSA-N 2 1 252.318 -0.328 20 0 CBADMP C[C@H](O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001330286437 886412544 /nfs/dbraw/zinc/41/25/44/886412544.db2.gz PBSJPAPWRLLJCW-JTQLQIEISA-N 2 1 253.350 -0.376 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC001330617869 886505655 /nfs/dbraw/zinc/50/56/55/886505655.db2.gz DKAVHRDUFGESTJ-SDDRHHMPSA-N 2 1 254.378 -0.524 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001330859504 886599492 /nfs/dbraw/zinc/59/94/92/886599492.db2.gz GNESQYYDPRDDRK-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP CN(CCC[N@@H+](C)CC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001447371163 913060802 /nfs/dbraw/zinc/06/08/02/913060802.db2.gz PVORDILQWWHICO-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP CN(CCC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001447362670 913061553 /nfs/dbraw/zinc/06/15/53/913061553.db2.gz XZSVFHUYFRXCPM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCC[NH2+][C@H](C)C(N)=O ZINC001330978187 886638620 /nfs/dbraw/zinc/63/86/20/886638620.db2.gz XEPWFKCVXQEDBJ-GHMZBOCLSA-N 2 1 295.387 -0.060 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC001331041057 886652966 /nfs/dbraw/zinc/65/29/66/886652966.db2.gz PMJLIBLDWHOATQ-OLZOCXBDSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC001331065650 886666188 /nfs/dbraw/zinc/66/61/88/886666188.db2.gz DKAVHRDUFGESTJ-IJLUTSLNSA-N 2 1 254.378 -0.524 20 0 CBADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H]1C[C@@H](O)C1 ZINC001331127500 886686375 /nfs/dbraw/zinc/68/63/75/886686375.db2.gz NFHNQGDPFUOQQA-BJHJDKERSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001331149227 886695314 /nfs/dbraw/zinc/69/53/14/886695314.db2.gz LMIVIPXLXWZHFA-UPJWGTAASA-N 2 1 296.415 -0.312 20 0 CBADMP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001331168156 886709259 /nfs/dbraw/zinc/70/92/59/886709259.db2.gz PPKLOLKYLRDFBJ-WOPDTQHZSA-N 2 1 294.399 -0.275 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC001331197954 886722620 /nfs/dbraw/zinc/72/26/20/886722620.db2.gz SBPVWPOELUZSMT-HAQNSBGRSA-N 2 1 294.399 -0.463 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H](C[NH2+]CCO)C1CC1 ZINC001331271801 886761705 /nfs/dbraw/zinc/76/17/05/886761705.db2.gz YKSMTCNTYQRLQD-QWHCGFSZSA-N 2 1 269.389 -0.101 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001331603331 886861326 /nfs/dbraw/zinc/86/13/26/886861326.db2.gz BWRVGFPJCVQPST-CMPLNLGQSA-N 2 1 280.372 -0.711 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331665434 886890362 /nfs/dbraw/zinc/89/03/62/886890362.db2.gz AJKADXQFMMNJON-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP CCN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC001331705660 886921252 /nfs/dbraw/zinc/92/12/52/886921252.db2.gz HGMXZSBDEHNANK-RWMBFGLXSA-N 2 1 294.399 -0.641 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001331729136 886942235 /nfs/dbraw/zinc/94/22/35/886942235.db2.gz AWTRJZSBMBUJQS-ZYHUDNBSSA-N 2 1 293.371 -0.578 20 0 CBADMP CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001331835149 887003873 /nfs/dbraw/zinc/00/38/73/887003873.db2.gz LFDNHMQTPONTGX-NEPJUHHUSA-N 2 1 257.378 -0.195 20 0 CBADMP C[N@H+](CCOCC[NH3+])C[C@H]1CCCS(=O)(=O)C1 ZINC001331848244 887011575 /nfs/dbraw/zinc/01/15/75/887011575.db2.gz ZIWMTNZGYZHLFP-LLVKDONJSA-N 2 1 264.391 -0.282 20 0 CBADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCCS(=O)(=O)C1 ZINC001331848244 887011593 /nfs/dbraw/zinc/01/15/93/887011593.db2.gz ZIWMTNZGYZHLFP-LLVKDONJSA-N 2 1 264.391 -0.282 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331857873 887016296 /nfs/dbraw/zinc/01/62/96/887016296.db2.gz NRVDMRPZWHYRCV-GRYCIOLGSA-N 2 1 269.393 -0.731 20 0 CBADMP C[N@@H+](C[C@H](O)Cn1cc(COCC[NH3+])nn1)C1CC1 ZINC001331897432 887035232 /nfs/dbraw/zinc/03/52/32/887035232.db2.gz SPODXIIHLBFHAM-LBPRGKRZSA-N 2 1 269.349 -0.792 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001331947863 887057903 /nfs/dbraw/zinc/05/79/03/887057903.db2.gz IBHZOYORSGMNKP-JTQLQIEISA-N 2 1 281.360 -0.449 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001331967771 887069734 /nfs/dbraw/zinc/06/97/34/887069734.db2.gz CCEZVRLFAITONJ-WOPDTQHZSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCO)C[C@H]1C ZINC001332051807 887094073 /nfs/dbraw/zinc/09/40/73/887094073.db2.gz UFVPSZZJPCTMJA-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])CC[N@H+]1C ZINC001332235920 887164832 /nfs/dbraw/zinc/16/48/32/887164832.db2.gz RGZHMXNOXAUCAG-WDEREUQCSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@@H]([NH3+])CC(=O)NCCCCN1CC[NH+](C)CC1 ZINC001332234155 887164900 /nfs/dbraw/zinc/16/49/00/887164900.db2.gz TYRBCUUJUPZPON-GFCCVEGCSA-N 2 1 256.394 -0.133 20 0 CBADMP O=S1(=O)CC[C@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001332333871 887207038 /nfs/dbraw/zinc/20/70/38/887207038.db2.gz FMJVABIGURUMBE-GRYCIOLGSA-N 2 1 258.387 -0.038 20 0 CBADMP O=S1(=O)CC[C@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001332333871 887207048 /nfs/dbraw/zinc/20/70/48/887207048.db2.gz FMJVABIGURUMBE-GRYCIOLGSA-N 2 1 258.387 -0.038 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001332332394 887208056 /nfs/dbraw/zinc/20/80/56/887208056.db2.gz OSURIFPKOMOINC-JOCQHMNTSA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001447776390 913123735 /nfs/dbraw/zinc/12/37/35/913123735.db2.gz PLEPRGCLMGQGOE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001447776390 913123743 /nfs/dbraw/zinc/12/37/43/913123743.db2.gz PLEPRGCLMGQGOE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001447776390 913123745 /nfs/dbraw/zinc/12/37/45/913123745.db2.gz PLEPRGCLMGQGOE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001447776390 913123752 /nfs/dbraw/zinc/12/37/52/913123752.db2.gz PLEPRGCLMGQGOE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](C(=O)N1CCC(C)([NH3+])CC1)N1CC[NH+](C)CC1 ZINC001332452742 887288030 /nfs/dbraw/zinc/28/80/30/887288030.db2.gz ZRPQECKFLMFKRR-LBPRGKRZSA-N 2 1 268.405 -0.038 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CC(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001447818869 913133745 /nfs/dbraw/zinc/13/37/45/913133745.db2.gz FBVDNRWEPVHOEP-WXRRBKDZSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001332487261 887314034 /nfs/dbraw/zinc/31/40/34/887314034.db2.gz GBFKZHKKIIXIQW-ZIAGYGMSSA-N 2 1 299.415 -0.308 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC[N@H+]1C ZINC001332694792 887408990 /nfs/dbraw/zinc/40/89/90/887408990.db2.gz YQWSENJZMDUWDO-NWDGAFQWSA-N 2 1 296.415 -0.170 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC001332961747 887489963 /nfs/dbraw/zinc/48/99/63/887489963.db2.gz MNEZYSVSYZUVGD-FRRDWIJNSA-N 2 1 268.405 -0.134 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001332993278 887498053 /nfs/dbraw/zinc/49/80/53/887498053.db2.gz KEUTUMUWRLFZCS-JOCQHMNTSA-N 2 1 268.405 -0.133 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@H](C[NH3+])OC)CC1 ZINC001333177614 887553218 /nfs/dbraw/zinc/55/32/18/887553218.db2.gz FRXWMQTZIMQBAW-LBPRGKRZSA-N 2 1 272.393 -0.896 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001333180167 887556434 /nfs/dbraw/zinc/55/64/34/887556434.db2.gz YHBGNJOMXNBMLS-SDDRHHMPSA-N 2 1 282.388 -0.417 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NCC2=CC[NH+](CC(N)=O)CC2)C1 ZINC001333433504 887639931 /nfs/dbraw/zinc/63/99/31/887639931.db2.gz QWUCUZHRBCAJQM-CYBMUJFWSA-N 2 1 294.399 -0.438 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC2=CC[NH+](CC(N)=O)CC2)C1 ZINC001333433504 887639935 /nfs/dbraw/zinc/63/99/35/887639935.db2.gz QWUCUZHRBCAJQM-CYBMUJFWSA-N 2 1 294.399 -0.438 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCC2=CC[N@H+](CC(N)=O)CC2)C1 ZINC001333433504 887639940 /nfs/dbraw/zinc/63/99/40/887639940.db2.gz QWUCUZHRBCAJQM-CYBMUJFWSA-N 2 1 294.399 -0.438 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)C1 ZINC001333433504 887639949 /nfs/dbraw/zinc/63/99/49/887639949.db2.gz QWUCUZHRBCAJQM-CYBMUJFWSA-N 2 1 294.399 -0.438 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001333624468 887724164 /nfs/dbraw/zinc/72/41/64/887724164.db2.gz GCYAYEOHVBUBMH-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+]1CCN(C2CCN(C(=O)NCCC[NH3+])CC2)CC1 ZINC001334211854 887893352 /nfs/dbraw/zinc/89/33/52/887893352.db2.gz BCBNPAPWIVUBHM-UHFFFAOYSA-N 2 1 283.420 -0.243 20 0 CBADMP NS(=O)(=O)C[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC001334337779 887925705 /nfs/dbraw/zinc/92/57/05/887925705.db2.gz KQJGHNUULPXFIX-MNOVXSKESA-N 2 1 261.391 -0.404 20 0 CBADMP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH+](C)CC(N)=O ZINC001448047498 913199766 /nfs/dbraw/zinc/19/97/66/913199766.db2.gz XIHHKEDLELEGMU-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH+](C)CC(N)=O ZINC001448047498 913199775 /nfs/dbraw/zinc/19/97/75/913199775.db2.gz XIHHKEDLELEGMU-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](CNC(=O)CC[C@H]1CCC[NH+]1C)[N@H+](C)CC(N)=O ZINC001448047498 913199788 /nfs/dbraw/zinc/19/97/88/913199788.db2.gz XIHHKEDLELEGMU-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](CNC(=O)CC[C@H]1CCC[NH+]1C)[N@@H+](C)CC(N)=O ZINC001448047498 913199799 /nfs/dbraw/zinc/19/97/99/913199799.db2.gz XIHHKEDLELEGMU-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001448048315 913202217 /nfs/dbraw/zinc/20/22/17/913202217.db2.gz VTVYMDDMDLTXJE-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001448048315 913202231 /nfs/dbraw/zinc/20/22/31/913202231.db2.gz VTVYMDDMDLTXJE-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)CC(=O)N(C)C ZINC001448073893 913210152 /nfs/dbraw/zinc/21/01/52/913210152.db2.gz CKKNCWKVXIWNNA-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)CC(=O)N(C)C ZINC001448073893 913210165 /nfs/dbraw/zinc/21/01/65/913210165.db2.gz CKKNCWKVXIWNNA-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001448095291 913214262 /nfs/dbraw/zinc/21/42/62/913214262.db2.gz ULJQBMDHKPPXKE-NEPJUHHUSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001448095291 913214276 /nfs/dbraw/zinc/21/42/76/913214276.db2.gz ULJQBMDHKPPXKE-NEPJUHHUSA-N 2 1 286.420 -0.149 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001448083973 913218183 /nfs/dbraw/zinc/21/81/83/913218183.db2.gz YNHUECGCOHLLHJ-NEPJUHHUSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001448083973 913218200 /nfs/dbraw/zinc/21/82/00/913218200.db2.gz YNHUECGCOHLLHJ-NEPJUHHUSA-N 2 1 298.431 -0.101 20 0 CBADMP CCCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001448145017 913235528 /nfs/dbraw/zinc/23/55/28/913235528.db2.gz GOASLHFQECWZJW-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001448145017 913235542 /nfs/dbraw/zinc/23/55/42/913235542.db2.gz GOASLHFQECWZJW-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001448145017 913235558 /nfs/dbraw/zinc/23/55/58/913235558.db2.gz GOASLHFQECWZJW-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448145017 913235572 /nfs/dbraw/zinc/23/55/72/913235572.db2.gz GOASLHFQECWZJW-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001335202908 888442175 /nfs/dbraw/zinc/44/21/75/888442175.db2.gz SBFUQPWLCJTQRL-QWRGUYRKSA-N 2 1 257.382 -0.779 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001335180445 888432718 /nfs/dbraw/zinc/43/27/18/888432718.db2.gz HCOVASJELDSHPF-NEPJUHHUSA-N 3 1 254.378 -0.665 20 0 CBADMP C[C@@H]1C[N@H+](CC(=O)N2CCNCC2)CC[C@H]1C[NH3+] ZINC001335180445 888432726 /nfs/dbraw/zinc/43/27/26/888432726.db2.gz HCOVASJELDSHPF-NEPJUHHUSA-N 2 1 254.378 -0.665 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCNCC2)CC[C@H]1C[NH3+] ZINC001335180445 888432733 /nfs/dbraw/zinc/43/27/33/888432733.db2.gz HCOVASJELDSHPF-NEPJUHHUSA-N 2 1 254.378 -0.665 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCN(C)CC[NH+](C)CC1 ZINC001335243958 888463784 /nfs/dbraw/zinc/46/37/84/888463784.db2.gz NGSQJCSOPZJMOY-AWEZNQCLSA-N 2 1 272.437 -0.522 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CCN(C)CC[N@H+](C)CC1 ZINC001335243958 888463794 /nfs/dbraw/zinc/46/37/94/888463794.db2.gz NGSQJCSOPZJMOY-AWEZNQCLSA-N 2 1 272.437 -0.522 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CCN(C)CC[N@@H+](C)CC1 ZINC001335243958 888463801 /nfs/dbraw/zinc/46/38/01/888463801.db2.gz NGSQJCSOPZJMOY-AWEZNQCLSA-N 2 1 272.437 -0.522 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCNCC[NH2+]CC1 ZINC001335384256 888519919 /nfs/dbraw/zinc/51/99/19/888519919.db2.gz MMLXFKXRKWAILG-KGLIPLIRSA-N 2 1 295.431 -0.182 20 0 CBADMP COC[C@H](O)C[NH2+]C1CCN(c2[nH+]ccn2C)CC1 ZINC001335448018 888535156 /nfs/dbraw/zinc/53/51/56/888535156.db2.gz LMHCZHXCQYGVRE-GFCCVEGCSA-N 2 1 268.361 -0.014 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@H]2CCc3ncnn32)CCCO1 ZINC001335521815 888554195 /nfs/dbraw/zinc/55/41/95/888554195.db2.gz MHCWKRGDJNVGAO-MNOVXSKESA-N 2 1 251.334 -0.185 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CCCO1 ZINC001335521815 888554203 /nfs/dbraw/zinc/55/42/03/888554203.db2.gz MHCWKRGDJNVGAO-MNOVXSKESA-N 2 1 251.334 -0.185 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001335788962 888629678 /nfs/dbraw/zinc/62/96/78/888629678.db2.gz ONYHMKZGATVGQR-RWMBFGLXSA-N 2 1 268.405 -0.182 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001335831332 888640387 /nfs/dbraw/zinc/64/03/87/888640387.db2.gz JSUGDNUDUIMLFX-AVGNSLFASA-N 2 1 294.399 -0.463 20 0 CBADMP C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC001335933786 888655194 /nfs/dbraw/zinc/65/51/94/888655194.db2.gz MALNVDJUIOAYDE-UPJWGTAASA-N 2 1 258.362 -0.570 20 0 CBADMP CN1CCN(C[C@H](O)C[NH2+]CC2CC[NH+](C)CC2)CC1 ZINC001335942414 888658455 /nfs/dbraw/zinc/65/84/55/888658455.db2.gz PYFNRQQJIPOABK-OAHLLOKOSA-N 2 1 284.448 -0.474 20 0 CBADMP C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1C[NH+](C)CCN1C ZINC001335987495 888666774 /nfs/dbraw/zinc/66/67/74/888666774.db2.gz SMRHBRYMGKEFGL-CFVMTHIKSA-N 2 1 284.448 -0.335 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001336252528 888728990 /nfs/dbraw/zinc/72/89/90/888728990.db2.gz PBEJCDVIZUBVRC-LSCVPOLPSA-N 2 1 268.361 -0.755 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001448331657 913279989 /nfs/dbraw/zinc/27/99/89/913279989.db2.gz HWEVTWNJWXSSOY-RYUDHWBXSA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001448331657 913280008 /nfs/dbraw/zinc/28/00/08/913280008.db2.gz HWEVTWNJWXSSOY-RYUDHWBXSA-N 2 1 298.431 -0.102 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001336659912 888836885 /nfs/dbraw/zinc/83/68/85/888836885.db2.gz NLNYKICQQFPCKZ-BDAKNGLRSA-N 2 1 251.334 -0.206 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N(C)[C@H]3CC[NH2+]C3)cc2C[NH2+]1 ZINC001336688600 888845376 /nfs/dbraw/zinc/84/53/76/888845376.db2.gz ZXNSVBCQHVMXRU-ZJUUUORDSA-N 2 1 263.345 -0.191 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)CN1CC[NH+](C)CC1 ZINC001336731119 888858432 /nfs/dbraw/zinc/85/84/32/888858432.db2.gz BYFZSGDTUCYFKL-GFCCVEGCSA-N 2 1 266.393 -0.212 20 0 CBADMP C[N@H+]1CCCN(CCC[NH2+]CCC(=O)NC(N)=O)CC1 ZINC001336751462 888867405 /nfs/dbraw/zinc/86/74/05/888867405.db2.gz RNODAUIHDAFWSQ-UHFFFAOYSA-N 2 1 285.392 -0.811 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001336756253 888867518 /nfs/dbraw/zinc/86/75/18/888867518.db2.gz USRZKVUIZSUWTF-LBPRGKRZSA-N 2 1 269.393 -0.715 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1(C)C ZINC001337015480 888948794 /nfs/dbraw/zinc/94/87/94/888948794.db2.gz DSDXQGQZLWCEQI-WDEREUQCSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001448458243 913298977 /nfs/dbraw/zinc/29/89/77/913298977.db2.gz ZURKBAJGHQMSEE-XDQVBPFNSA-N 2 1 281.400 -0.243 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001337419675 889003849 /nfs/dbraw/zinc/00/38/49/889003849.db2.gz CVCVBSUXSNXXTB-GMTAPVOTSA-N 2 1 280.372 -0.713 20 0 CBADMP CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC001337420182 889005505 /nfs/dbraw/zinc/00/55/05/889005505.db2.gz HCUVYZJEDQIDMW-WCQYABFASA-N 2 1 294.399 -0.450 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001337470526 889014416 /nfs/dbraw/zinc/01/44/16/889014416.db2.gz FHBQOWUYXMRWLV-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001337470526 889014428 /nfs/dbraw/zinc/01/44/28/889014428.db2.gz FHBQOWUYXMRWLV-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC001337517149 889029598 /nfs/dbraw/zinc/02/95/98/889029598.db2.gz XINJRWFNCRCOOM-RVMXOQNASA-N 2 1 294.399 -0.608 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001338065060 889111979 /nfs/dbraw/zinc/11/19/79/889111979.db2.gz NZHUTITYSZBMJA-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001338065060 889111987 /nfs/dbraw/zinc/11/19/87/889111987.db2.gz NZHUTITYSZBMJA-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH2+]CCCNC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001338367665 889148540 /nfs/dbraw/zinc/14/85/40/889148540.db2.gz CRDZPNHRIUWBAU-SECBINFHSA-N 2 1 251.334 -0.286 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCNCC[NH2+]CC1 ZINC001338536179 889173418 /nfs/dbraw/zinc/17/34/18/889173418.db2.gz XUVPHAVWGAIAMC-CQSZACIVSA-N 2 1 295.431 -0.325 20 0 CBADMP C[NH2+]CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001338627707 889184215 /nfs/dbraw/zinc/18/42/15/889184215.db2.gz XBWFJFOTFWRJRW-NEPJUHHUSA-N 2 1 270.377 -0.554 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001448602781 913326408 /nfs/dbraw/zinc/32/64/08/913326408.db2.gz MURZYCHZQBIYRK-GFCCVEGCSA-N 2 1 284.404 -0.362 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001448601516 913325549 /nfs/dbraw/zinc/32/55/49/913325549.db2.gz VANKEIZNABCOHJ-GFCCVEGCSA-N 2 1 293.371 -0.497 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H]1CCC[NH2+]C1 ZINC001339708941 889311098 /nfs/dbraw/zinc/31/10/98/889311098.db2.gz JMJYMIIYMNBZGC-AGIUHOORSA-N 2 1 266.389 -0.510 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001339722864 889314296 /nfs/dbraw/zinc/31/42/96/889314296.db2.gz GBGYGRANQHWHMB-AVGNSLFASA-N 2 1 266.389 -0.415 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001339716103 889314721 /nfs/dbraw/zinc/31/47/21/889314721.db2.gz RZLZVMUULCMPSR-FRRDWIJNSA-N 2 1 266.389 -0.557 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1CCC([NH3+])CC1 ZINC001339846358 889331510 /nfs/dbraw/zinc/33/15/10/889331510.db2.gz XTWXJZZSLYVCTK-YWPUVAFDSA-N 2 1 266.389 -0.239 20 0 CBADMP CC[NH+]1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001340013001 889364943 /nfs/dbraw/zinc/36/49/43/889364943.db2.gz RNXKXIBJCGJSSK-ZDUSSCGKSA-N 2 1 255.362 -0.345 20 0 CBADMP [NH3+]CCNCC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC001340167855 889401170 /nfs/dbraw/zinc/40/11/70/889401170.db2.gz LTFQXCMZXMGTBW-UHFFFAOYSA-N 2 1 276.384 -0.291 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001340199265 889407950 /nfs/dbraw/zinc/40/79/50/889407950.db2.gz FPHGGYZABYTICT-AAEUAGOBSA-N 2 1 257.378 -0.053 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001340206040 889408575 /nfs/dbraw/zinc/40/85/75/889408575.db2.gz OIHNPQMOUODMBI-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001340467732 889437017 /nfs/dbraw/zinc/43/70/17/889437017.db2.gz BKRJVZCJICLRAT-WOPDTQHZSA-N 2 1 268.405 -0.136 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001340478971 889439983 /nfs/dbraw/zinc/43/99/83/889439983.db2.gz VYJSWKQXVJYXFB-SDDRHHMPSA-N 2 1 254.378 -0.654 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001340527634 889442836 /nfs/dbraw/zinc/44/28/36/889442836.db2.gz QVCNLSHYLFNRFA-YFKTTZPYSA-N 2 1 254.378 -0.383 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001340526282 889443735 /nfs/dbraw/zinc/44/37/35/889443735.db2.gz BUMJTAJDTIFADD-ZDUSSCGKSA-N 2 1 299.415 -0.161 20 0 CBADMP O=C([C@H]1CSC[NH2+]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340727210 889472968 /nfs/dbraw/zinc/47/29/68/889472968.db2.gz MHHNOYKEGJOOKY-NXEZZACHSA-N 2 1 259.375 -0.778 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001340735735 889476785 /nfs/dbraw/zinc/47/67/85/889476785.db2.gz PGXXRXNOHQSJJL-WDEREUQCSA-N 2 1 253.346 -0.282 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH3+])CC(O)C1 ZINC001340773766 889485459 /nfs/dbraw/zinc/48/54/59/889485459.db2.gz KGDIPUXZXVZJRD-ZBOXLXRLSA-N 2 1 255.362 -0.313 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001340825284 889493130 /nfs/dbraw/zinc/49/31/30/889493130.db2.gz WXTMDARGRYQKIG-YPMHNXCESA-N 2 1 255.362 -0.299 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340847153 889498377 /nfs/dbraw/zinc/49/83/77/889498377.db2.gz XRWZAWHCTVHABG-CYBMUJFWSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001340882139 889503334 /nfs/dbraw/zinc/50/33/34/889503334.db2.gz VXMDRQPFLGDKOP-NEPJUHHUSA-N 2 1 254.378 -0.652 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001340891628 889505811 /nfs/dbraw/zinc/50/58/11/889505811.db2.gz BAGNPTIOYPLEKM-URBCHYCLSA-N 2 1 269.389 -0.198 20 0 CBADMP CN1C(=O)CS/C1=C\C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001340944587 889519502 /nfs/dbraw/zinc/51/95/02/889519502.db2.gz YEOPJMFMNPEEKR-JYRVWZFOSA-N 2 1 298.412 -0.428 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001340944582 889520120 /nfs/dbraw/zinc/52/01/20/889520120.db2.gz YCQLZZBYKLLYHF-VXGBXAGGSA-N 3 1 268.405 -0.229 20 0 CBADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CC[NH2+]C[C@H]1CO ZINC001340953925 889524111 /nfs/dbraw/zinc/52/41/11/889524111.db2.gz PHQUZPTTZXIYCT-AVGNSLFASA-N 2 1 267.373 -0.204 20 0 CBADMP C[C@H]([NH3+])CC(=O)NCCCCC[NH+]1CCNCC1 ZINC001341072255 889540400 /nfs/dbraw/zinc/54/04/00/889540400.db2.gz MVIDRQQIWZPLPT-LBPRGKRZSA-N 2 1 256.394 -0.085 20 0 CBADMP C[C@@H]([NH3+])c1nc(C(=O)N2CCNCC[NH2+]CC2)cs1 ZINC001341100413 889544407 /nfs/dbraw/zinc/54/44/07/889544407.db2.gz VOCPRSMGHATULJ-SECBINFHSA-N 2 1 283.401 -0.202 20 0 CBADMP C[C@H]([NH3+])c1nc(C(=O)N2CCNCC[NH2+]CC2)cs1 ZINC001341100414 889545784 /nfs/dbraw/zinc/54/57/84/889545784.db2.gz VOCPRSMGHATULJ-VIFPVBQESA-N 2 1 283.401 -0.202 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1=CCC[NH2+]CC1 ZINC001341453725 889597910 /nfs/dbraw/zinc/59/79/10/889597910.db2.gz ZYBJBZHCIYZFCH-ZDUSSCGKSA-N 2 1 294.399 -0.248 20 0 CBADMP CN(CCOCC[NH3+])C(=O)[C@@H]1[NH2+]CCc2occc21 ZINC001341472920 889603928 /nfs/dbraw/zinc/60/39/28/889603928.db2.gz PFTRILYFJDBOAD-GFCCVEGCSA-N 2 1 267.329 -0.100 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001341571524 889623650 /nfs/dbraw/zinc/62/36/50/889623650.db2.gz PTJMNYAWHDDDFR-GHMZBOCLSA-N 2 1 257.378 -0.115 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)CC2CC([NH3+])C2)C1 ZINC001341605669 889631312 /nfs/dbraw/zinc/63/13/12/889631312.db2.gz QOOVZUYEXTWMQL-MCIGGMRASA-N 2 1 255.362 -0.049 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2C[C@@H]2C[NH3+])n1C ZINC001341600467 889631447 /nfs/dbraw/zinc/63/14/47/889631447.db2.gz RPBPJGAFLIFKJK-PSASIEDQSA-N 2 1 251.334 -0.303 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001341638324 889636335 /nfs/dbraw/zinc/63/63/35/889636335.db2.gz QOYGQRSOTDXIST-CHWSQXEVSA-N 2 1 287.404 -0.305 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CC1 ZINC001341644823 889640347 /nfs/dbraw/zinc/64/03/47/889640347.db2.gz VMAQISSQXRSONI-XQHKEYJVSA-N 2 1 267.373 -0.240 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCCn1cc[nH+]c1C ZINC001341663142 889642417 /nfs/dbraw/zinc/64/24/17/889642417.db2.gz PPIAGNHGFHYZPR-PWSUYJOCSA-N 2 1 268.361 -0.086 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC[NH2+]1 ZINC001341660035 889643303 /nfs/dbraw/zinc/64/33/03/889643303.db2.gz QHHKSEXBKXLOEP-XQHKEYJVSA-N 2 1 266.389 -0.369 20 0 CBADMP CCNC(=O)CC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341691338 889648474 /nfs/dbraw/zinc/64/84/74/889648474.db2.gz WLNKKIHGFCJTAD-UHFFFAOYSA-N 2 1 256.350 -0.948 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)CCc2cn[nH]c2)CC1 ZINC001341691353 889649368 /nfs/dbraw/zinc/64/93/68/889649368.db2.gz XDQOINAJAACRRG-UHFFFAOYSA-N 2 1 265.361 -0.118 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@H]([NH3+])C1CC1 ZINC001341734511 889653856 /nfs/dbraw/zinc/65/38/56/889653856.db2.gz VQCFTDSXTKRHLM-JLLWLGSASA-N 2 1 252.362 -0.772 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1=CCC[NH2+]CC1 ZINC001341732600 889655134 /nfs/dbraw/zinc/65/51/34/889655134.db2.gz LRHZJADZMQVNQF-CYBMUJFWSA-N 2 1 266.389 -0.342 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H]([NH3+])C1CC1 ZINC001341734510 889655431 /nfs/dbraw/zinc/65/54/31/889655431.db2.gz VQCFTDSXTKRHLM-ADEWGFFLSA-N 2 1 252.362 -0.772 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)NCCCCC[NH+]1CCNCC1 ZINC001341823498 889669035 /nfs/dbraw/zinc/66/90/35/889669035.db2.gz OQONNUVVSQTCIR-AWEZNQCLSA-N 2 1 298.431 -0.443 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001341983480 889694576 /nfs/dbraw/zinc/69/45/76/889694576.db2.gz OEGDBOAUXBOTPO-QNWHQSFQSA-N 2 1 266.389 -0.382 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)[C@H](CO)C1 ZINC001342034967 889701319 /nfs/dbraw/zinc/70/13/19/889701319.db2.gz KIRHHIKMQDGTBE-MJDLHHQISA-N 2 1 253.346 -0.895 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)[C@H](CO)C1 ZINC001342034967 889701336 /nfs/dbraw/zinc/70/13/36/889701336.db2.gz KIRHHIKMQDGTBE-MJDLHHQISA-N 2 1 253.346 -0.895 20 0 CBADMP C[N@H+](CC(=O)NC[C@H](O)C[NH3+])Cc1ccccc1 ZINC001342146097 889721184 /nfs/dbraw/zinc/72/11/84/889721184.db2.gz DYNOGPATGYHOBB-GFCCVEGCSA-N 2 1 251.330 -0.446 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H](O)C[NH3+])Cc1ccccc1 ZINC001342146097 889721194 /nfs/dbraw/zinc/72/11/94/889721194.db2.gz DYNOGPATGYHOBB-GFCCVEGCSA-N 2 1 251.330 -0.446 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001342155928 889722374 /nfs/dbraw/zinc/72/23/74/889722374.db2.gz LKFSPJPMLOYZJT-GFCCVEGCSA-N 2 1 256.394 -0.310 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001342155928 889722382 /nfs/dbraw/zinc/72/23/82/889722382.db2.gz LKFSPJPMLOYZJT-GFCCVEGCSA-N 2 1 256.394 -0.310 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cnn(C)c1 ZINC001342184378 889726803 /nfs/dbraw/zinc/72/68/03/889726803.db2.gz VPXPYNLLSFIDLT-IRCOFANPSA-N 2 1 263.345 -0.310 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001342222934 889733526 /nfs/dbraw/zinc/73/35/26/889733526.db2.gz ZUEUUSABBWOGKM-WUHRBBMRSA-N 2 1 266.389 -0.369 20 0 CBADMP C[N@H+](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O)Cc1ccccc1 ZINC001342273161 889744371 /nfs/dbraw/zinc/74/43/71/889744371.db2.gz WMMMGFNVIFSFKH-OLZOCXBDSA-N 2 1 263.341 -0.433 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O)Cc1ccccc1 ZINC001342273161 889744380 /nfs/dbraw/zinc/74/43/80/889744380.db2.gz WMMMGFNVIFSFKH-OLZOCXBDSA-N 2 1 263.341 -0.433 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C1(C[NH3+])CC(O)C1 ZINC001342347806 889755342 /nfs/dbraw/zinc/75/53/42/889755342.db2.gz KBONWDNGRMQSIX-MRFPXMQZSA-N 2 1 267.373 -0.219 20 0 CBADMP C[NH2+][C@@H](C(=O)NCCC(C)(C)[NH3+])c1cnn(C)c1 ZINC001342366033 889761328 /nfs/dbraw/zinc/76/13/28/889761328.db2.gz UDHHPRXFNQCRMN-SNVBAGLBSA-N 2 1 253.350 -0.076 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001342391392 889766925 /nfs/dbraw/zinc/76/69/25/889766925.db2.gz FNUSLQGXAHCAHF-RNJOBUHISA-N 2 1 269.389 -0.245 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)CC[NH2+]C2CC2)CC1 ZINC001342549839 889791638 /nfs/dbraw/zinc/79/16/38/889791638.db2.gz XVKJNSWTZYYGHG-UHFFFAOYSA-N 3 1 254.378 -0.332 20 0 CBADMP C[C@@H]1[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC001342567345 889791835 /nfs/dbraw/zinc/79/18/35/889791835.db2.gz ANTLHHSRMHKWFR-MXWKQRLJSA-N 2 1 268.361 -0.937 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)CC[N@H+]1C ZINC001342569293 889796483 /nfs/dbraw/zinc/79/64/83/889796483.db2.gz IQYGXKNCZSVHSQ-ZJUUUORDSA-N 2 1 266.349 -0.551 20 0 CBADMP O=C([C@@H]1CCC[NH2+]1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001342697176 889818544 /nfs/dbraw/zinc/81/85/44/889818544.db2.gz ZCILDLHYGDOCJL-RWMBFGLXSA-N 2 1 267.373 -0.204 20 0 CBADMP CN1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[N@@H+](C)CC1 ZINC001342915147 889844371 /nfs/dbraw/zinc/84/43/71/889844371.db2.gz VOUSFAFCODSXDM-QWHCGFSZSA-N 2 1 284.404 -0.944 20 0 CBADMP CN1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC[N@@H+](C)CC1 ZINC001342915391 889844642 /nfs/dbraw/zinc/84/46/42/889844642.db2.gz XKKUPIIJUHCLNB-AWEZNQCLSA-N 2 1 284.404 -0.929 20 0 CBADMP CN1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[N@@H+](C)CC1 ZINC001342915142 889844692 /nfs/dbraw/zinc/84/46/92/889844692.db2.gz VOUSFAFCODSXDM-CHWSQXEVSA-N 2 1 284.404 -0.944 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001342915351 889845868 /nfs/dbraw/zinc/84/58/68/889845868.db2.gz WOXGTJHVMZLJDX-RYUDHWBXSA-N 2 1 256.394 -0.325 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N[C@H]3C[C@H](C[NH3+])C3)cc2C[NH2+]1 ZINC001342978012 889850477 /nfs/dbraw/zinc/85/04/77/889850477.db2.gz VVHRNQVWIFUNFE-GUBZILKMSA-N 2 1 263.345 -0.158 20 0 CBADMP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001342994122 889852563 /nfs/dbraw/zinc/85/25/63/889852563.db2.gz LUGYUBLNTBPOLH-GFQSEFKGSA-N 2 1 269.389 -0.387 20 0 CBADMP O=C(C[NH+]1CCC(CO)CC1)NC[C@H]1CCC[NH2+]1 ZINC001343038065 889858781 /nfs/dbraw/zinc/85/87/81/889858781.db2.gz PCBCJYYFQBDWPQ-GFCCVEGCSA-N 2 1 255.362 -0.441 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[C@H]1CC[NH2+]C1 ZINC001343039486 889859724 /nfs/dbraw/zinc/85/97/24/889859724.db2.gz YKQBIABFPIXTRR-JHJVBQTASA-N 2 1 266.389 -0.510 20 0 CBADMP C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CC[NH+](C)CC1 ZINC001343072216 889863911 /nfs/dbraw/zinc/86/39/11/889863911.db2.gz RNTWTHMBNIIVNZ-FVCCEPFGSA-N 2 1 266.389 -0.369 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001343088538 889866839 /nfs/dbraw/zinc/86/68/39/889866839.db2.gz XOJBBKCXLOFNEQ-DDHJBXDOSA-N 2 1 252.362 -0.772 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001343373465 889896596 /nfs/dbraw/zinc/89/65/96/889896596.db2.gz DIYPUXBNDNEMGR-AAEUAGOBSA-N 2 1 266.345 -0.189 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001343391701 889899553 /nfs/dbraw/zinc/89/95/53/889899553.db2.gz LPVMZXBHTNFKIK-WZRBSPASSA-N 2 1 255.362 -0.443 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001343394432 889900075 /nfs/dbraw/zinc/90/00/75/889900075.db2.gz ZCYLOKUYEGLBCS-DGCLKSJQSA-N 2 1 273.377 -0.816 20 0 CBADMP [NH3+]CC1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC(O)C1 ZINC001343407283 889903956 /nfs/dbraw/zinc/90/39/56/889903956.db2.gz AMRDLNBPGOONAU-CBZQXFMTSA-N 2 1 253.346 -0.561 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001343438940 889909587 /nfs/dbraw/zinc/90/95/87/889909587.db2.gz KMXOABRUWAOKOD-UHFFFAOYSA-N 2 1 273.377 -0.829 20 0 CBADMP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001343474680 889915786 /nfs/dbraw/zinc/91/57/86/889915786.db2.gz XLVFXGKPVHQWRV-XQHKEYJVSA-N 2 1 267.373 -0.219 20 0 CBADMP C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)[C@H]1C[N@@H+](C)CCN1C ZINC001343582906 889935331 /nfs/dbraw/zinc/93/53/31/889935331.db2.gz MLNWKQHHRIODJG-OUCADQQQSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@H]1C[N@@H+](C)CCN1C ZINC001343581622 889936026 /nfs/dbraw/zinc/93/60/26/889936026.db2.gz CPMIKFJCWBRHLM-RWMBFGLXSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001343581622 889936054 /nfs/dbraw/zinc/93/60/54/889936054.db2.gz CPMIKFJCWBRHLM-RWMBFGLXSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@H]1CN(C)CC[N@H+]1C ZINC001343581622 889936064 /nfs/dbraw/zinc/93/60/64/889936064.db2.gz CPMIKFJCWBRHLM-RWMBFGLXSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@H]1C[N@@H+](C)CCN1C ZINC001343581786 889936608 /nfs/dbraw/zinc/93/66/08/889936608.db2.gz FMADLHMMOUVWQS-IRCOFANPSA-N 2 1 254.378 -0.668 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3=NO[C@@H](C[NH3+])C3)[C@@H]2C1 ZINC001343592898 889939294 /nfs/dbraw/zinc/93/92/94/889939294.db2.gz SLLCZEZBCXYUSF-ZDCRXTMVSA-N 2 1 266.345 -0.454 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC(C)(C)[NH3+] ZINC001344548244 890040697 /nfs/dbraw/zinc/04/06/97/890040697.db2.gz MRZZORIOLHCULV-GHMZBOCLSA-N 2 1 254.378 -0.382 20 0 CBADMP [NH3+]CCNCC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001344778094 890065452 /nfs/dbraw/zinc/06/54/52/890065452.db2.gz PKMQXRZWRGINNG-GHMZBOCLSA-N 2 1 272.418 -0.769 20 0 CBADMP C[C@@H](C(=O)N[C@H]1C[NH2+]CC1(C)C)N1CC[NH+](C)CC1 ZINC001345380942 890123656 /nfs/dbraw/zinc/12/36/56/890123656.db2.gz MIGKCDOSFRXBMZ-RYUDHWBXSA-N 2 1 268.405 -0.264 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C3=NO[C@H](C[NH3+])C3)C[C@]2(C)C1 ZINC001345390350 890123774 /nfs/dbraw/zinc/12/37/74/890123774.db2.gz BPTGLTPDFLPZLI-NRUUGDAUSA-N 2 1 266.345 -0.500 20 0 CBADMP C[C@@H](CCC[NH3+])NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC001346056988 890208047 /nfs/dbraw/zinc/20/80/47/890208047.db2.gz XHWIVSBTCZXXPA-RYUDHWBXSA-N 2 1 256.394 -0.134 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)c2cc3n(n2)C[C@@H](C)[NH2+]C3)C1 ZINC001346057435 890208173 /nfs/dbraw/zinc/20/81/73/890208173.db2.gz LCUQYYDDQKXHJQ-ZJUUUORDSA-N 2 1 263.345 -0.191 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCCC[NH+]1CCOCC1 ZINC001346150407 890224801 /nfs/dbraw/zinc/22/48/01/890224801.db2.gz LPTXFVLKUIMCTJ-OLZOCXBDSA-N 2 1 284.404 -0.137 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+](C)C1CC1 ZINC001346309685 890263907 /nfs/dbraw/zinc/26/39/07/890263907.db2.gz ZPWRTFDTLJHFML-DGCLKSJQSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@H+](C)C1CC1 ZINC001346309685 890263924 /nfs/dbraw/zinc/26/39/24/890263924.db2.gz ZPWRTFDTLJHFML-DGCLKSJQSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@@H+](C)C1CC1 ZINC001346309685 890263938 /nfs/dbraw/zinc/26/39/38/890263938.db2.gz ZPWRTFDTLJHFML-DGCLKSJQSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCNCC[NH2+]CC1 ZINC001346390602 890280976 /nfs/dbraw/zinc/28/09/76/890280976.db2.gz JAMFWZUULZJSQR-OCCSQVGLSA-N 2 1 295.431 -0.327 20 0 CBADMP COCC[NH2+]CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001346385979 890281669 /nfs/dbraw/zinc/28/16/69/890281669.db2.gz YEYHGCWDABFWDR-SDDRHHMPSA-N 2 1 255.362 -0.321 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC(C)(C)C[NH+](C)C ZINC001347033776 890389724 /nfs/dbraw/zinc/38/97/24/890389724.db2.gz CEWXRCRRKUDYEP-RYUDHWBXSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H]1CCC[NH+]1C ZINC001347361487 890453301 /nfs/dbraw/zinc/45/33/01/890453301.db2.gz HAVCGDSYTGRITF-RWMBFGLXSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC001347361487 890453309 /nfs/dbraw/zinc/45/33/09/890453309.db2.gz HAVCGDSYTGRITF-RWMBFGLXSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@@H]1CCC[N@H+]1C ZINC001347361487 890453319 /nfs/dbraw/zinc/45/33/19/890453319.db2.gz HAVCGDSYTGRITF-RWMBFGLXSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@H]1CCC[NH+]1C ZINC001347361485 890453479 /nfs/dbraw/zinc/45/34/79/890453479.db2.gz HAVCGDSYTGRITF-AVGNSLFASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC001347361485 890453481 /nfs/dbraw/zinc/45/34/81/890453481.db2.gz HAVCGDSYTGRITF-AVGNSLFASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@@H]1CCC[N@H+]1C ZINC001347361485 890453486 /nfs/dbraw/zinc/45/34/86/890453486.db2.gz HAVCGDSYTGRITF-AVGNSLFASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001448912112 913456195 /nfs/dbraw/zinc/45/61/95/913456195.db2.gz TZEWNTMGAXXBFH-RYUDHWBXSA-N 2 1 289.420 -0.588 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001348595035 890658665 /nfs/dbraw/zinc/65/86/65/890658665.db2.gz HBFUQVJPNKMYME-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001348593691 890659138 /nfs/dbraw/zinc/65/91/38/890659138.db2.gz QJTBTBPMSWRBIJ-DGCLKSJQSA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH+](C)CCCC(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001348647070 890672134 /nfs/dbraw/zinc/67/21/34/890672134.db2.gz AEHHEBGDCQLKBI-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001348964538 890737893 /nfs/dbraw/zinc/73/78/93/890737893.db2.gz AOBCBMONRMYMTN-CYBMUJFWSA-N 2 1 257.378 -0.147 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[NH2+]2)CC1 ZINC001349108025 890763142 /nfs/dbraw/zinc/76/31/42/890763142.db2.gz HLBGKPSVXMTXQM-LLVKDONJSA-N 2 1 268.361 -0.983 20 0 CBADMP CC[NH2+]CC1CC[NH+](CC(=O)N2CCNCC2)CC1 ZINC001349389310 890805866 /nfs/dbraw/zinc/80/58/66/890805866.db2.gz KRZHOEVCYRVYAT-UHFFFAOYSA-N 2 1 268.405 -0.260 20 0 CBADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC001349399170 890807736 /nfs/dbraw/zinc/80/77/36/890807736.db2.gz YUIHCGOFOZBYLY-YPMHNXCESA-N 3 1 264.377 -0.017 20 0 CBADMP [NH3+]Cc1cn([C@H]2CCCN(C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC001349399170 890807745 /nfs/dbraw/zinc/80/77/45/890807745.db2.gz YUIHCGOFOZBYLY-YPMHNXCESA-N 2 1 264.377 -0.017 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1=CC[NH+](C)CC1 ZINC001349403157 890810005 /nfs/dbraw/zinc/81/00/05/890810005.db2.gz GTSGARREIABXCH-TZMCWYRMSA-N 2 1 278.400 -0.247 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC1=CC[N@H+](C)CC1 ZINC001349403157 890810024 /nfs/dbraw/zinc/81/00/24/890810024.db2.gz GTSGARREIABXCH-TZMCWYRMSA-N 2 1 278.400 -0.247 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC1=CC[N@@H+](C)CC1 ZINC001349403157 890810037 /nfs/dbraw/zinc/81/00/37/890810037.db2.gz GTSGARREIABXCH-TZMCWYRMSA-N 2 1 278.400 -0.247 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001349809085 890894029 /nfs/dbraw/zinc/89/40/29/890894029.db2.gz WEYXXDARPRRXFK-NSHDSACASA-N 2 1 272.393 -0.312 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001350045518 890929111 /nfs/dbraw/zinc/92/91/11/890929111.db2.gz KLHGPQHITOYJQG-SRVKXCTJSA-N 2 1 282.388 -0.560 20 0 CBADMP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC[NH+]1CCOCC1 ZINC001350794291 891042476 /nfs/dbraw/zinc/04/24/76/891042476.db2.gz PLGBYMJHCDVKIO-UONOGXRCSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC[NH+]1CCOCC1 ZINC001350794291 891042491 /nfs/dbraw/zinc/04/24/91/891042491.db2.gz PLGBYMJHCDVKIO-UONOGXRCSA-N 2 1 296.415 -0.787 20 0 CBADMP Cn1cc(N2CC[C@H](N3CC[NH2+]CC[NH2+]CC3)C2=O)cn1 ZINC001350910751 891067542 /nfs/dbraw/zinc/06/75/42/891067542.db2.gz RTEPEHUYKQAVAH-ZDUSSCGKSA-N 2 1 292.387 -0.980 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC001351133274 891108732 /nfs/dbraw/zinc/10/87/32/891108732.db2.gz OEGINTPPVHBSRJ-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC001351133274 891108744 /nfs/dbraw/zinc/10/87/44/891108744.db2.gz OEGINTPPVHBSRJ-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CCC[NH+](C)C ZINC001351731685 891177815 /nfs/dbraw/zinc/17/78/15/891177815.db2.gz NDNNGORECGWPLF-OLZOCXBDSA-N 2 1 268.405 -0.215 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001352549728 891271652 /nfs/dbraw/zinc/27/16/52/891271652.db2.gz NQVBOMMGWPQVFB-CYBMUJFWSA-N 2 1 266.345 -0.283 20 0 CBADMP C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH]cn1 ZINC001449203232 913541806 /nfs/dbraw/zinc/54/18/06/913541806.db2.gz XXKRYZAOYRPDLP-WCQYABFASA-N 2 1 298.387 -0.526 20 0 CBADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC001352839570 891304381 /nfs/dbraw/zinc/30/43/81/891304381.db2.gz OWYUGMKWMYTHIA-SDDRHHMPSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001353049471 891349489 /nfs/dbraw/zinc/34/94/89/891349489.db2.gz ZQQRGNNTAJIBBI-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001353271542 891392151 /nfs/dbraw/zinc/39/21/51/891392151.db2.gz BSLACEAFJLNBMR-KBPBESRZSA-N 3 1 270.421 -0.864 20 0 CBADMP C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001353271550 891393540 /nfs/dbraw/zinc/39/35/40/891393540.db2.gz BSLACEAFJLNBMR-ZIAGYGMSSA-N 3 1 270.421 -0.864 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC[C@@H]21 ZINC001353325384 891404926 /nfs/dbraw/zinc/40/49/26/891404926.db2.gz XINJRWFNCRCOOM-LPWJVIDDSA-N 2 1 294.399 -0.608 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC[C@H]21 ZINC001353325390 891405370 /nfs/dbraw/zinc/40/53/70/891405370.db2.gz XINJRWFNCRCOOM-ZDEQEGDKSA-N 2 1 294.399 -0.608 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001353323343 891405496 /nfs/dbraw/zinc/40/54/96/891405496.db2.gz BNFYFJKTIFEXGG-BETUJISGSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC[C@@H]21 ZINC001353325374 891405519 /nfs/dbraw/zinc/40/55/19/891405519.db2.gz XINJRWFNCRCOOM-CYDGBPFRSA-N 2 1 294.399 -0.608 20 0 CBADMP CC(C)[C@@H](CNC(=O)CNCC[NH3+])[NH+]1CCOCC1 ZINC001353468402 891430221 /nfs/dbraw/zinc/43/02/21/891430221.db2.gz BIKYULKXNBKPOT-GFCCVEGCSA-N 2 1 272.393 -0.992 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC2([NH3+])CC2)CC1 ZINC001353502653 891436163 /nfs/dbraw/zinc/43/61/63/891436163.db2.gz VJECRBFGESACLP-JTQLQIEISA-N 2 1 256.350 -0.814 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)NCC[NH+](C)C)cc2C[NH2+]1 ZINC001353644681 891456602 /nfs/dbraw/zinc/45/66/02/891456602.db2.gz CZWBWXWIARRTKV-SECBINFHSA-N 2 1 251.334 -0.334 20 0 CBADMP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[NH+]1CCC(CO)CC1 ZINC001353928008 891488671 /nfs/dbraw/zinc/48/86/71/891488671.db2.gz FPKTURLVJCRBDT-NEPJUHHUSA-N 2 1 269.389 -0.067 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCn2cncc2C1 ZINC001354018578 891498706 /nfs/dbraw/zinc/49/87/06/891498706.db2.gz HPZFKWXRKCVFGM-WCQYABFASA-N 2 1 264.329 -0.320 20 0 CBADMP C[C@@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)[NH+](C)C ZINC001354091841 891513728 /nfs/dbraw/zinc/51/37/28/891513728.db2.gz LOGFMFJOONAEMQ-VIFPVBQESA-N 2 1 256.350 -0.998 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC[NH2+]C1CC1 ZINC001354131678 891520961 /nfs/dbraw/zinc/52/09/61/891520961.db2.gz MMGBQYFZFICIJR-AAEUAGOBSA-N 2 1 266.389 -0.367 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001354409162 891576509 /nfs/dbraw/zinc/57/65/09/891576509.db2.gz CGDGIHIBMFRJHI-VXGBXAGGSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001354450033 891580410 /nfs/dbraw/zinc/58/04/10/891580410.db2.gz MJCGUUQJHJFMJG-RKDXNWHRSA-N 2 1 251.334 -0.206 20 0 CBADMP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001354524324 891589045 /nfs/dbraw/zinc/58/90/45/891589045.db2.gz VMEZXYCAXIGHTI-FRRDWIJNSA-N 2 1 266.389 -0.557 20 0 CBADMP O=C(NCCCCC[NH+]1CCNCC1)[C@H]1CCC[NH2+]1 ZINC001354981203 891632933 /nfs/dbraw/zinc/63/29/33/891632933.db2.gz USABXZDFTRXVTE-CYBMUJFWSA-N 2 1 268.405 -0.070 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)NCCCCC[NH+]2CCNCC2)=NO1 ZINC001354968684 891634039 /nfs/dbraw/zinc/63/40/39/891634039.db2.gz CPVBVPXQWJWUDH-LBPRGKRZSA-N 2 1 297.403 -0.718 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1C ZINC001355015885 891637848 /nfs/dbraw/zinc/63/78/48/891637848.db2.gz KFFDSXWJCQNTLF-QWHCGFSZSA-N 2 1 268.405 -0.262 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001355817787 891707491 /nfs/dbraw/zinc/70/74/91/891707491.db2.gz DPTQFSSPHISFAH-NEPJUHHUSA-N 2 1 256.394 -0.134 20 0 CBADMP [NH3+]CCOCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001356226747 891741062 /nfs/dbraw/zinc/74/10/62/891741062.db2.gz BXYAXSJLRVZGOM-VXGBXAGGSA-N 2 1 271.361 -0.981 20 0 CBADMP [NH3+]C1(CC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC001356228491 891741397 /nfs/dbraw/zinc/74/13/97/891741397.db2.gz RYTGSXCGWFAXEO-NWDGAFQWSA-N 2 1 267.373 -0.075 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001356412013 891757975 /nfs/dbraw/zinc/75/79/75/891757975.db2.gz DUJXVDJFQBYECS-NOOOWODRSA-N 2 1 255.362 -0.193 20 0 CBADMP O[C@@H](C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)C[NH+]1CCCC1 ZINC001356609246 891783024 /nfs/dbraw/zinc/78/30/24/891783024.db2.gz IECJBAOFCBAAAU-SOUVJXGZSA-N 2 1 283.416 -0.104 20 0 CBADMP CN1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1=O ZINC001357165723 891856060 /nfs/dbraw/zinc/85/60/60/891856060.db2.gz HOFSEASGLOZDJG-ZYHUDNBSSA-N 2 1 255.362 -0.348 20 0 CBADMP CN1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC001357165723 891856073 /nfs/dbraw/zinc/85/60/73/891856073.db2.gz HOFSEASGLOZDJG-ZYHUDNBSSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001357362305 891873998 /nfs/dbraw/zinc/87/39/98/891873998.db2.gz QBYRENAOOBLAKN-LOWDOPEQSA-N 2 1 269.389 -0.054 20 0 CBADMP CC(C)(O)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001357369667 891878272 /nfs/dbraw/zinc/87/82/72/891878272.db2.gz ZJHVYEAJUQESJL-GARJFASQSA-N 2 1 255.362 -0.172 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001357374481 891879790 /nfs/dbraw/zinc/87/97/90/891879790.db2.gz CJBSUMDNEIRVEX-BZPMIXESSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC001357642730 891922351 /nfs/dbraw/zinc/92/23/51/891922351.db2.gz IMTGCBVFXAMIEP-KKOKHZNYSA-N 2 1 266.389 -0.383 20 0 CBADMP C[N@@H+](CCNC(=O)C[NH+]1CCC(CO)CC1)C1CC1 ZINC001357825765 891940052 /nfs/dbraw/zinc/94/00/52/891940052.db2.gz HZEBBKIWQNJIQU-UHFFFAOYSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)C[NH2+]1 ZINC001357937795 891946556 /nfs/dbraw/zinc/94/65/56/891946556.db2.gz GEMKFRNVVSRFDB-DGCLKSJQSA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(CO)CC2)C[NH2+]1 ZINC001357937911 891948176 /nfs/dbraw/zinc/94/81/76/891948176.db2.gz GEMKFRNVVSRFDB-YPMHNXCESA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001358070634 891969435 /nfs/dbraw/zinc/96/94/35/891969435.db2.gz WUVUKVUNJNRILX-FVCCEPFGSA-N 2 1 266.389 -0.654 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[C@H]([NH3+])C1 ZINC001358129839 891974433 /nfs/dbraw/zinc/97/44/33/891974433.db2.gz FTVKEDYBMCTYML-WOPDTQHZSA-N 2 1 252.362 -0.676 20 0 CBADMP C[C@H]1[C@@H](NC(=O)c2cn(CCCC[NH3+])nn2)CC[N@H+]1C ZINC001358185327 891978955 /nfs/dbraw/zinc/97/89/55/891978955.db2.gz IUGBEGJYSHCPRS-QWRGUYRKSA-N 2 1 280.376 -0.161 20 0 CBADMP CN1CCN(C(=O)C2([NH3+])CCCC2)CC[N@H+](C)CC1 ZINC001358445178 892006881 /nfs/dbraw/zinc/00/68/81/892006881.db2.gz VVIWQAOTNWLKJX-UHFFFAOYSA-N 2 1 268.405 -0.036 20 0 CBADMP CN1CCN(C(=O)C2([NH3+])CCCC2)CC[N@@H+](C)CC1 ZINC001358445178 892006900 /nfs/dbraw/zinc/00/69/00/892006900.db2.gz VVIWQAOTNWLKJX-UHFFFAOYSA-N 2 1 268.405 -0.036 20 0 CBADMP CN1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@@H+](C)CC1 ZINC001358445212 892008337 /nfs/dbraw/zinc/00/83/37/892008337.db2.gz XHICPSXMMULABY-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@]1(O)CCOC1 ZINC001362041172 892388794 /nfs/dbraw/zinc/38/87/94/892388794.db2.gz PQTDPLICHYERNO-OAHLLOKOSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@]1(O)CCOC1 ZINC001362041172 892388812 /nfs/dbraw/zinc/38/88/12/892388812.db2.gz PQTDPLICHYERNO-OAHLLOKOSA-N 2 1 299.415 -0.378 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001362064568 892407033 /nfs/dbraw/zinc/40/70/33/892407033.db2.gz KVCXKTFZHDHCPC-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362317331 892590442 /nfs/dbraw/zinc/59/04/42/892590442.db2.gz CTTHNEQLUHCEJI-YPMHNXCESA-N 2 1 273.352 -0.397 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)CC[N@@H+]2CC[C@@H](F)C2)C1 ZINC001362317331 892590447 /nfs/dbraw/zinc/59/04/47/892590447.db2.gz CTTHNEQLUHCEJI-YPMHNXCESA-N 2 1 273.352 -0.397 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)CC[N@H+]2CC[C@@H](F)C2)C1 ZINC001362317331 892590453 /nfs/dbraw/zinc/59/04/53/892590453.db2.gz CTTHNEQLUHCEJI-YPMHNXCESA-N 2 1 273.352 -0.397 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001450507362 913706176 /nfs/dbraw/zinc/70/61/76/913706176.db2.gz GYMJAZVNZJCFRN-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP O=C(CC[N@H+]1CC[C@H](F)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC001362647751 892879268 /nfs/dbraw/zinc/87/92/68/892879268.db2.gz VXUDNSGPBXZRAV-WCQYABFASA-N 2 1 285.363 -0.302 20 0 CBADMP O=C(CC[NH+]1CC[C@H](F)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001362647751 892879288 /nfs/dbraw/zinc/87/92/88/892879288.db2.gz VXUDNSGPBXZRAV-WCQYABFASA-N 2 1 285.363 -0.302 20 0 CBADMP O=C(CC[NH+]1CC[C@H](F)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001362647751 892879306 /nfs/dbraw/zinc/87/93/06/892879306.db2.gz VXUDNSGPBXZRAV-WCQYABFASA-N 2 1 285.363 -0.302 20 0 CBADMP O=C(CC[N@@H+]1CC[C@H](F)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001362647751 892879322 /nfs/dbraw/zinc/87/93/22/892879322.db2.gz VXUDNSGPBXZRAV-WCQYABFASA-N 2 1 285.363 -0.302 20 0 CBADMP O=C(CC[N@H+]1CC[C@H](F)C1)NCC[NH+]1CCC(O)CC1 ZINC001362965166 893208978 /nfs/dbraw/zinc/20/89/78/893208978.db2.gz HUDZBVFPGFAYBY-LBPRGKRZSA-N 2 1 287.379 -0.007 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)C1 ZINC001362971192 893219079 /nfs/dbraw/zinc/21/90/79/893219079.db2.gz PRAMWKQKQLKQHY-RDBSUJKOSA-N 2 1 280.416 -0.025 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[NH+](C)CC[C@@H]2C1 ZINC001363006518 893256185 /nfs/dbraw/zinc/25/61/85/893256185.db2.gz UTFXTRYPVYIDKZ-QVHKTLOISA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001363006518 893256196 /nfs/dbraw/zinc/25/61/96/893256196.db2.gz UTFXTRYPVYIDKZ-QVHKTLOISA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001363006518 893256209 /nfs/dbraw/zinc/25/62/09/893256209.db2.gz UTFXTRYPVYIDKZ-QVHKTLOISA-N 2 1 281.400 -0.148 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)C[C@H](C)[NH2+]1 ZINC001363024425 893276979 /nfs/dbraw/zinc/27/69/79/893276979.db2.gz PROFPCRPAGOYIU-IGQOVBAYSA-N 2 1 280.416 -0.026 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001363049843 893303507 /nfs/dbraw/zinc/30/35/07/893303507.db2.gz WIIUUAULKJOSSF-TUAOUCFPSA-N 2 1 284.404 -0.504 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001363049843 893303522 /nfs/dbraw/zinc/30/35/22/893303522.db2.gz WIIUUAULKJOSSF-TUAOUCFPSA-N 2 1 284.404 -0.504 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC(=O)N2CCN(C)CC2)CC[N@H+]1C ZINC001363083738 893338003 /nfs/dbraw/zinc/33/80/03/893338003.db2.gz QKRSISBJWYKJDK-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001363083738 893338023 /nfs/dbraw/zinc/33/80/23/893338023.db2.gz QKRSISBJWYKJDK-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC001363083738 893338044 /nfs/dbraw/zinc/33/80/44/893338044.db2.gz QKRSISBJWYKJDK-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC001363127792 893387102 /nfs/dbraw/zinc/38/71/02/893387102.db2.gz PEQHSXMJDMFGOL-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001451092856 913771220 /nfs/dbraw/zinc/77/12/20/913771220.db2.gz RPZJSSJSWBRDNR-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP COC(=O)CNC(=O)[C@@H](C)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001363292137 893546333 /nfs/dbraw/zinc/54/63/33/893546333.db2.gz CUICIBQPKMTZGE-UTUOFQBUSA-N 2 1 283.372 -0.452 20 0 CBADMP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001363292137 893546341 /nfs/dbraw/zinc/54/63/41/893546341.db2.gz CUICIBQPKMTZGE-UTUOFQBUSA-N 2 1 283.372 -0.452 20 0 CBADMP COC(=O)CNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001363292137 893546362 /nfs/dbraw/zinc/54/63/62/893546362.db2.gz CUICIBQPKMTZGE-UTUOFQBUSA-N 2 1 283.372 -0.452 20 0 CBADMP COC(=O)CNC(=O)[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001363292137 893546380 /nfs/dbraw/zinc/54/63/80/893546380.db2.gz CUICIBQPKMTZGE-UTUOFQBUSA-N 2 1 283.372 -0.452 20 0 CBADMP COC(=O)CNC(=O)[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001363292137 893546403 /nfs/dbraw/zinc/54/64/03/893546403.db2.gz CUICIBQPKMTZGE-UTUOFQBUSA-N 2 1 283.372 -0.452 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)CC1 ZINC001363336953 893596167 /nfs/dbraw/zinc/59/61/67/893596167.db2.gz XUWXYMBRKRPODP-STQMWFEESA-N 2 1 299.415 -0.881 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001363489970 893731093 /nfs/dbraw/zinc/73/10/93/893731093.db2.gz KVUISDMNDXHYSN-UKRRQHHQSA-N 2 1 297.399 -0.579 20 0 CBADMP CC[N@@H+]1CC[C@H]1C(=O)N1CC(N2CC[NH+](CC)CC2)C1 ZINC001364247649 894283535 /nfs/dbraw/zinc/28/35/35/894283535.db2.gz VBLRFTYBEHJNNM-AWEZNQCLSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[N@H+]1CC[C@H]1C(=O)N1CC(N2CC[NH+](CC)CC2)C1 ZINC001364247649 894283554 /nfs/dbraw/zinc/28/35/54/894283554.db2.gz VBLRFTYBEHJNNM-AWEZNQCLSA-N 2 1 280.416 -0.071 20 0 CBADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC001364418082 894403453 /nfs/dbraw/zinc/40/34/53/894403453.db2.gz OOEVLTFWROZEQD-GJZGRUSLSA-N 2 1 285.432 -0.313 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](CO)[C@@H]2CCCOC2)CC1 ZINC001364444707 894426485 /nfs/dbraw/zinc/42/64/85/894426485.db2.gz IVHPZVRTGJGCMZ-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CC(C)[NH+]1CCC(C(=O)NC[C@]2(CO)COCC[NH2+]2)CC1 ZINC001364472060 894443735 /nfs/dbraw/zinc/44/37/35/894443735.db2.gz RTEBQSILEZZFPY-HNNXBMFYSA-N 2 1 299.415 -0.426 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001364551082 894489494 /nfs/dbraw/zinc/48/94/94/894489494.db2.gz UWYRTRVTFSYDDC-RISCZKNCSA-N 2 1 283.372 -0.451 20 0 CBADMP COC(=O)CNC(=O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001364551082 894489481 /nfs/dbraw/zinc/48/94/81/894489481.db2.gz UWYRTRVTFSYDDC-RISCZKNCSA-N 2 1 283.372 -0.451 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001364551082 894489487 /nfs/dbraw/zinc/48/94/87/894489487.db2.gz UWYRTRVTFSYDDC-RISCZKNCSA-N 2 1 283.372 -0.451 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC(C)(C)C[NH+](C)C ZINC001365328827 894905070 /nfs/dbraw/zinc/90/50/70/894905070.db2.gz KGIRNMQDDUNBBX-GFCCVEGCSA-N 2 1 285.436 -0.128 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001365812666 895125223 /nfs/dbraw/zinc/12/52/23/895125223.db2.gz XYHCWUIUUYGVEQ-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001365848699 895132261 /nfs/dbraw/zinc/13/22/61/895132261.db2.gz JESSDQRTCMDHMI-JOCQHMNTSA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001365836445 895132398 /nfs/dbraw/zinc/13/23/98/895132398.db2.gz FKPASAPQMJGLIH-JHJVBQTASA-N 2 1 296.415 -0.299 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001365971829 895156601 /nfs/dbraw/zinc/15/66/01/895156601.db2.gz CFOTZFPDGDFSBI-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001365971798 895156643 /nfs/dbraw/zinc/15/66/43/895156643.db2.gz BTOAMAPYFAITIS-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001365971798 895156648 /nfs/dbraw/zinc/15/66/48/895156648.db2.gz BTOAMAPYFAITIS-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001366001849 895169539 /nfs/dbraw/zinc/16/95/39/895169539.db2.gz GBRAJSANPKDAGH-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001366095274 895189099 /nfs/dbraw/zinc/18/90/99/895189099.db2.gz XXIGNSHLNHUDEG-RWMBFGLXSA-N 2 1 285.388 -0.722 20 0 CBADMP CCn1cc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001366098611 895191950 /nfs/dbraw/zinc/19/19/50/895191950.db2.gz OMFIJJXIYDRAPI-LBPRGKRZSA-N 2 1 294.403 -0.060 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001366128339 895200283 /nfs/dbraw/zinc/20/02/83/895200283.db2.gz UHANCAGGYSLMJB-SYQHCUMBSA-N 2 1 299.415 -0.285 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001366131066 895201293 /nfs/dbraw/zinc/20/12/93/895201293.db2.gz GCRDZPKAOJQRLE-SYQHCUMBSA-N 2 1 299.415 -0.428 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001366133045 895202256 /nfs/dbraw/zinc/20/22/56/895202256.db2.gz WPIMBTNTMKTERV-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001366141106 895206848 /nfs/dbraw/zinc/20/68/48/895206848.db2.gz IHLNAXFVGJWFLX-YVECIDJPSA-N 2 1 285.388 -0.675 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001366217062 895223102 /nfs/dbraw/zinc/22/31/02/895223102.db2.gz FQFUTACUKRYYEV-LBPRGKRZSA-N 2 1 293.371 -0.352 20 0 CBADMP C[N@@H+](CC(=O)NC1CCC([NH2+]CC(N)=O)CC1)C1CCC1 ZINC001366240338 895226693 /nfs/dbraw/zinc/22/66/93/895226693.db2.gz AHEZCIYMMBZUKE-UHFFFAOYSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(=O)N1CCC1 ZINC001366291229 895263088 /nfs/dbraw/zinc/26/30/88/895263088.db2.gz VSQDATUOZNGETD-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001366312827 895270132 /nfs/dbraw/zinc/27/01/32/895270132.db2.gz SQGNQPNKMQUYQS-WDEREUQCSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001366312827 895270144 /nfs/dbraw/zinc/27/01/44/895270144.db2.gz SQGNQPNKMQUYQS-WDEREUQCSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1nnnn1C ZINC001366321056 895277948 /nfs/dbraw/zinc/27/79/48/895277948.db2.gz HPFWBHDBAVGUKK-JTQLQIEISA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1cnn(C)n1 ZINC001366333088 895282740 /nfs/dbraw/zinc/28/27/40/895282740.db2.gz VXYOMHDVZSSDIY-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001366348294 895290392 /nfs/dbraw/zinc/29/03/92/895290392.db2.gz SXLPHFPCBIMLKH-QWRGUYRKSA-N 2 1 270.377 -0.832 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001366396142 895311151 /nfs/dbraw/zinc/31/11/51/895311151.db2.gz AWLWLJSOVDPENH-GRYCIOLGSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001366452758 895323415 /nfs/dbraw/zinc/32/34/15/895323415.db2.gz NNCKXXHOUXJCKL-AAEUAGOBSA-N 2 1 294.403 -0.106 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001366471273 895328028 /nfs/dbraw/zinc/32/80/28/895328028.db2.gz HERBWNLZRAVULX-RWMBFGLXSA-N 2 1 287.404 -0.428 20 0 CBADMP C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001366471156 895328431 /nfs/dbraw/zinc/32/84/31/895328431.db2.gz ISNSDGJCXBLDJQ-QWRGUYRKSA-N 2 1 284.404 -0.171 20 0 CBADMP COC[C@H](O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001366471272 895329144 /nfs/dbraw/zinc/32/91/44/895329144.db2.gz HERBWNLZRAVULX-JHJVBQTASA-N 2 1 287.404 -0.428 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001366507469 895338247 /nfs/dbraw/zinc/33/82/47/895338247.db2.gz KPPAHKMCOCDPBV-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nnn(C)n1 ZINC001366508463 895339159 /nfs/dbraw/zinc/33/91/59/895339159.db2.gz LLLKRKRKSLXIPZ-WDEREUQCSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnn(C)n1 ZINC001366508463 895339170 /nfs/dbraw/zinc/33/91/70/895339170.db2.gz LLLKRKRKSLXIPZ-WDEREUQCSA-N 2 1 295.391 -0.854 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001366570005 895387954 /nfs/dbraw/zinc/38/79/54/895387954.db2.gz IBIABZNBQGCTMC-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001366570005 895387972 /nfs/dbraw/zinc/38/79/72/895387972.db2.gz IBIABZNBQGCTMC-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001366585704 895394267 /nfs/dbraw/zinc/39/42/67/895394267.db2.gz QRZIOLPVDJAHDL-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001366585704 895394283 /nfs/dbraw/zinc/39/42/83/895394283.db2.gz QRZIOLPVDJAHDL-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001366585704 895394298 /nfs/dbraw/zinc/39/42/98/895394298.db2.gz QRZIOLPVDJAHDL-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001366585704 895394314 /nfs/dbraw/zinc/39/43/14/895394314.db2.gz QRZIOLPVDJAHDL-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001366585709 895397351 /nfs/dbraw/zinc/39/73/51/895397351.db2.gz QRZIOLPVDJAHDL-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001366585709 895397359 /nfs/dbraw/zinc/39/73/59/895397359.db2.gz QRZIOLPVDJAHDL-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001366585709 895397374 /nfs/dbraw/zinc/39/73/74/895397374.db2.gz QRZIOLPVDJAHDL-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001366585709 895397384 /nfs/dbraw/zinc/39/73/84/895397384.db2.gz QRZIOLPVDJAHDL-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)[C@@H]1CCNC1=O ZINC001366616217 895409395 /nfs/dbraw/zinc/40/93/95/895409395.db2.gz IZLLYXOPRVUYLZ-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+](C)C1CCC1)[C@@H]1CCNC1=O ZINC001366616217 895409401 /nfs/dbraw/zinc/40/94/01/895409401.db2.gz IZLLYXOPRVUYLZ-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)[C@@H]1CCNC1=O ZINC001366616217 895409407 /nfs/dbraw/zinc/40/94/07/895409407.db2.gz IZLLYXOPRVUYLZ-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)[C@H]1CCNC1=O ZINC001366616219 895409945 /nfs/dbraw/zinc/40/99/45/895409945.db2.gz IZLLYXOPRVUYLZ-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+](C)C1CCC1)[C@H]1CCNC1=O ZINC001366616219 895409948 /nfs/dbraw/zinc/40/99/48/895409948.db2.gz IZLLYXOPRVUYLZ-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)[C@H]1CCNC1=O ZINC001366616219 895409953 /nfs/dbraw/zinc/40/99/53/895409953.db2.gz IZLLYXOPRVUYLZ-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@H](C)C(=O)NC ZINC001366628578 895414840 /nfs/dbraw/zinc/41/48/40/895414840.db2.gz MHCRNAZUWKITEY-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@H](C)C(=O)NC ZINC001366628578 895414844 /nfs/dbraw/zinc/41/48/44/895414844.db2.gz MHCRNAZUWKITEY-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[C@H](C)C(=O)NC ZINC001366628578 895414847 /nfs/dbraw/zinc/41/48/47/895414847.db2.gz MHCRNAZUWKITEY-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[C@H](C)C(=O)NC ZINC001366628578 895414853 /nfs/dbraw/zinc/41/48/53/895414853.db2.gz MHCRNAZUWKITEY-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)[C@@H](C)C(N)=O ZINC001366644763 895418260 /nfs/dbraw/zinc/41/82/60/895418260.db2.gz QZIPUTOAGCZNHO-NSHDSACASA-N 2 1 272.393 -0.362 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)[C@@H](C)C(N)=O ZINC001366644763 895418265 /nfs/dbraw/zinc/41/82/65/895418265.db2.gz QZIPUTOAGCZNHO-NSHDSACASA-N 2 1 272.393 -0.362 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)[C@@H](C)C(N)=O ZINC001366644763 895418272 /nfs/dbraw/zinc/41/82/72/895418272.db2.gz QZIPUTOAGCZNHO-NSHDSACASA-N 2 1 272.393 -0.362 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)[C@@H](C)C(N)=O ZINC001366644763 895418279 /nfs/dbraw/zinc/41/82/79/895418279.db2.gz QZIPUTOAGCZNHO-NSHDSACASA-N 2 1 272.393 -0.362 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C1CC1)[C@@H]1CCNC1=O ZINC001366737709 895444013 /nfs/dbraw/zinc/44/40/13/895444013.db2.gz GTEIVOXWYFVFSD-CHWSQXEVSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C1CC1)[C@@H]1CCNC1=O ZINC001366737709 895444026 /nfs/dbraw/zinc/44/40/26/895444026.db2.gz GTEIVOXWYFVFSD-CHWSQXEVSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001366737709 895444039 /nfs/dbraw/zinc/44/40/39/895444039.db2.gz GTEIVOXWYFVFSD-CHWSQXEVSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001366737709 895444049 /nfs/dbraw/zinc/44/40/49/895444049.db2.gz GTEIVOXWYFVFSD-CHWSQXEVSA-N 2 1 294.399 -0.450 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001366832941 895466659 /nfs/dbraw/zinc/46/66/59/895466659.db2.gz HXJBNWHVAAANJY-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366873170 895472784 /nfs/dbraw/zinc/47/27/84/895472784.db2.gz QXBHTIRLGSPZLE-QWHCGFSZSA-N 2 1 296.415 -0.536 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366893276 895480731 /nfs/dbraw/zinc/48/07/31/895480731.db2.gz GEJKIWLFCAFERZ-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001366893276 895480740 /nfs/dbraw/zinc/48/07/40/895480740.db2.gz GEJKIWLFCAFERZ-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366893276 895480747 /nfs/dbraw/zinc/48/07/47/895480747.db2.gz GEJKIWLFCAFERZ-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001366894331 895481756 /nfs/dbraw/zinc/48/17/56/895481756.db2.gz XEWLDYYTNKMUJS-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001366894331 895481763 /nfs/dbraw/zinc/48/17/63/895481763.db2.gz XEWLDYYTNKMUJS-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001366983879 895516506 /nfs/dbraw/zinc/51/65/06/895516506.db2.gz YRKSHGAHMZHHJP-NEPJUHHUSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366983879 895516519 /nfs/dbraw/zinc/51/65/19/895516519.db2.gz YRKSHGAHMZHHJP-NEPJUHHUSA-N 2 1 296.415 -0.489 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001366990615 895516890 /nfs/dbraw/zinc/51/68/90/895516890.db2.gz TYGPWWAYWZWQBH-ZDUSSCGKSA-N 2 1 296.371 -0.753 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC1C[NH+]([C@@H](CC)C(N)=O)C1 ZINC001366983838 895517768 /nfs/dbraw/zinc/51/77/68/895517768.db2.gz DMTOGEKAJASXAE-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1C[NH+]([C@@H](CC)C(N)=O)C1 ZINC001366983838 895517775 /nfs/dbraw/zinc/51/77/75/895517775.db2.gz DMTOGEKAJASXAE-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001366996315 895522676 /nfs/dbraw/zinc/52/26/76/895522676.db2.gz MBQNXKFQCUFQCD-AVGNSLFASA-N 2 1 281.400 -0.006 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001367009375 895525879 /nfs/dbraw/zinc/52/58/79/895525879.db2.gz RHKAEJCIQCCKGT-AVGNSLFASA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001367009375 895525888 /nfs/dbraw/zinc/52/58/88/895525888.db2.gz RHKAEJCIQCCKGT-AVGNSLFASA-N 2 1 298.431 -0.102 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001367006014 895527246 /nfs/dbraw/zinc/52/72/46/895527246.db2.gz DVLRSURKGRJMRR-XQQFMLRXSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001367006014 895527255 /nfs/dbraw/zinc/52/72/55/895527255.db2.gz DVLRSURKGRJMRR-XQQFMLRXSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001367006014 895527261 /nfs/dbraw/zinc/52/72/61/895527261.db2.gz DVLRSURKGRJMRR-XQQFMLRXSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001367015507 895533294 /nfs/dbraw/zinc/53/32/94/895533294.db2.gz HTSUSVYHZDRIRR-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001367053565 895548901 /nfs/dbraw/zinc/54/89/01/895548901.db2.gz BNALZKSMFLZSPF-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001367053565 895548909 /nfs/dbraw/zinc/54/89/09/895548909.db2.gz BNALZKSMFLZSPF-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CC[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001367128806 895569919 /nfs/dbraw/zinc/56/99/19/895569919.db2.gz RTXDFRZHGYOVAW-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1nnnn1C ZINC001367231391 895588774 /nfs/dbraw/zinc/58/87/74/895588774.db2.gz DYGZOFVUWRTPPJ-MNOVXSKESA-N 2 1 295.391 -0.854 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001367263470 895599140 /nfs/dbraw/zinc/59/91/40/895599140.db2.gz CQRQOERFXNOFOW-OLZOCXBDSA-N 2 1 298.431 -0.064 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367272187 895602114 /nfs/dbraw/zinc/60/21/14/895602114.db2.gz HQTXIINDMOJRGS-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367278389 895602903 /nfs/dbraw/zinc/60/29/03/895602903.db2.gz UXIKINMNWABVNK-GHMZBOCLSA-N 2 1 270.377 -0.832 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367290005 895605235 /nfs/dbraw/zinc/60/52/35/895605235.db2.gz NQNGRDLYEHNAOQ-OLZOCXBDSA-N 2 1 298.431 -0.194 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367377820 895630205 /nfs/dbraw/zinc/63/02/05/895630205.db2.gz QEGOPHGECWOMDI-VXGBXAGGSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001367377820 895630209 /nfs/dbraw/zinc/63/02/09/895630209.db2.gz QEGOPHGECWOMDI-VXGBXAGGSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001367451840 895638696 /nfs/dbraw/zinc/63/86/96/895638696.db2.gz VIDCVEJIQDESLY-VXGBXAGGSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001367538515 895655629 /nfs/dbraw/zinc/65/56/29/895655629.db2.gz WTYCIRRUNUVBAF-LBPRGKRZSA-N 2 1 286.420 -0.195 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001367538515 895655633 /nfs/dbraw/zinc/65/56/33/895655633.db2.gz WTYCIRRUNUVBAF-LBPRGKRZSA-N 2 1 286.420 -0.195 20 0 CBADMP Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001367588590 895688345 /nfs/dbraw/zinc/68/83/45/895688345.db2.gz XTDNZUVMHHFCRU-RYUDHWBXSA-N 2 1 295.387 -0.919 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nonc1C)[NH+](C)C ZINC001367593997 895689778 /nfs/dbraw/zinc/68/97/78/895689778.db2.gz NBWDPGVXEGSEPC-CMPLNLGQSA-N 2 1 299.375 -0.715 20 0 CBADMP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)oc1C ZINC001367601154 895694454 /nfs/dbraw/zinc/69/44/54/895694454.db2.gz LQYGVFJHFLEZJK-LBPRGKRZSA-N 2 1 298.387 -0.190 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(C)on1)[NH+](C)C ZINC001367613532 895703449 /nfs/dbraw/zinc/70/34/49/895703449.db2.gz CMRHGIRZVBTSGP-STQMWFEESA-N 2 1 298.387 -0.110 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001367623294 895708539 /nfs/dbraw/zinc/70/85/39/895708539.db2.gz JFNHBIAMZXOBHM-JQWIXIFHSA-N 2 1 282.344 -0.807 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001367623294 895708556 /nfs/dbraw/zinc/70/85/56/895708556.db2.gz JFNHBIAMZXOBHM-JQWIXIFHSA-N 2 1 282.344 -0.807 20 0 CBADMP CC[C@H]([NH2+]CC[C@@H](C)NC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001367636094 895716045 /nfs/dbraw/zinc/71/60/45/895716045.db2.gz BWJLVYQPWBKUEO-PWSUYJOCSA-N 2 1 295.387 -0.060 20 0 CBADMP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367691058 895749618 /nfs/dbraw/zinc/74/96/18/895749618.db2.gz YLESDNXQLHITKI-ZYHUDNBSSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001367707222 895758383 /nfs/dbraw/zinc/75/83/83/895758383.db2.gz VSXSMHBSKZIOTD-GHMZBOCLSA-N 2 1 272.393 -0.443 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367711389 895758737 /nfs/dbraw/zinc/75/87/37/895758737.db2.gz FLNDBURUDKBBPC-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001367708166 895759009 /nfs/dbraw/zinc/75/90/09/895759009.db2.gz JDFGPRGWLMAWAX-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001367707224 895762064 /nfs/dbraw/zinc/76/20/64/895762064.db2.gz VSXSMHBSKZIOTD-MNOVXSKESA-N 2 1 272.393 -0.443 20 0 CBADMP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001367751654 895783242 /nfs/dbraw/zinc/78/32/42/895783242.db2.gz PQMFNGJWOYNJGK-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001367757393 895791114 /nfs/dbraw/zinc/79/11/14/895791114.db2.gz KDPYKSSQEJFVDC-QWRGUYRKSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001367759233 895794040 /nfs/dbraw/zinc/79/40/40/895794040.db2.gz GJMUKFFTSLZFFY-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001367759233 895794047 /nfs/dbraw/zinc/79/40/47/895794047.db2.gz GJMUKFFTSLZFFY-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001367840841 895828477 /nfs/dbraw/zinc/82/84/77/895828477.db2.gz ZSNVHCVGFWYFCP-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001367840841 895828489 /nfs/dbraw/zinc/82/84/89/895828489.db2.gz ZSNVHCVGFWYFCP-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CN(C)[C@H]1CCNC1=O ZINC001367861367 895837696 /nfs/dbraw/zinc/83/76/96/895837696.db2.gz LJEVGRRTHSVZIU-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001367861367 895837724 /nfs/dbraw/zinc/83/77/24/895837724.db2.gz LJEVGRRTHSVZIU-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H]1CCNC1=O ZINC001367861367 895837732 /nfs/dbraw/zinc/83/77/32/895837732.db2.gz LJEVGRRTHSVZIU-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H]1CCNC1=O ZINC001367861367 895837743 /nfs/dbraw/zinc/83/77/43/895837743.db2.gz LJEVGRRTHSVZIU-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001367948765 895865221 /nfs/dbraw/zinc/86/52/21/895865221.db2.gz JSOCYULZQGUEBW-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001367948765 895865242 /nfs/dbraw/zinc/86/52/42/895865242.db2.gz JSOCYULZQGUEBW-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001367988387 895880429 /nfs/dbraw/zinc/88/04/29/895880429.db2.gz DCLNUJOAAIZSNG-VXGBXAGGSA-N 2 1 285.388 -0.410 20 0 CBADMP CO[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001367988387 895880436 /nfs/dbraw/zinc/88/04/36/895880436.db2.gz DCLNUJOAAIZSNG-VXGBXAGGSA-N 2 1 285.388 -0.410 20 0 CBADMP CO[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001367988384 895882088 /nfs/dbraw/zinc/88/20/88/895882088.db2.gz DCLNUJOAAIZSNG-RYUDHWBXSA-N 2 1 285.388 -0.410 20 0 CBADMP CO[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001367988384 895882089 /nfs/dbraw/zinc/88/20/89/895882089.db2.gz DCLNUJOAAIZSNG-RYUDHWBXSA-N 2 1 285.388 -0.410 20 0 CBADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001368009934 895888203 /nfs/dbraw/zinc/88/82/03/895888203.db2.gz ADKNLZRCYQYYNK-OLZOCXBDSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1)C(N)=O ZINC001368014760 895891248 /nfs/dbraw/zinc/89/12/48/895891248.db2.gz QANVARBVSPEZOS-VXGBXAGGSA-N 2 1 296.415 -0.027 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001368036360 895895197 /nfs/dbraw/zinc/89/51/97/895895197.db2.gz QFSQPWSSJRFFKG-WDEREUQCSA-N 2 1 280.372 -0.935 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001368036357 895895384 /nfs/dbraw/zinc/89/53/84/895895384.db2.gz QFSQPWSSJRFFKG-GHMZBOCLSA-N 2 1 280.372 -0.935 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001368108178 895914407 /nfs/dbraw/zinc/91/44/07/895914407.db2.gz ZOOKFUYWKDVIIG-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001368108188 895917042 /nfs/dbraw/zinc/91/70/42/895917042.db2.gz ZOOKFUYWKDVIIG-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCO)C2)CC[N@H+]1C ZINC001368244189 895941153 /nfs/dbraw/zinc/94/11/53/895941153.db2.gz GXQHFCZIRAWYDC-GUTXKFCHSA-N 2 1 299.415 -0.738 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)CC[NH+]1C ZINC001368244189 895941169 /nfs/dbraw/zinc/94/11/69/895941169.db2.gz GXQHFCZIRAWYDC-GUTXKFCHSA-N 2 1 299.415 -0.738 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001368244189 895941183 /nfs/dbraw/zinc/94/11/83/895941183.db2.gz GXQHFCZIRAWYDC-GUTXKFCHSA-N 2 1 299.415 -0.738 20 0 CBADMP CC(C)[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001368253495 895943033 /nfs/dbraw/zinc/94/30/33/895943033.db2.gz RAUSHFQEFUVVEP-JSGCOSHPSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001368253495 895943042 /nfs/dbraw/zinc/94/30/42/895943042.db2.gz RAUSHFQEFUVVEP-JSGCOSHPSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001368253495 895943047 /nfs/dbraw/zinc/94/30/47/895943047.db2.gz RAUSHFQEFUVVEP-JSGCOSHPSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001368253495 895943055 /nfs/dbraw/zinc/94/30/55/895943055.db2.gz RAUSHFQEFUVVEP-JSGCOSHPSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001368253495 895943063 /nfs/dbraw/zinc/94/30/63/895943063.db2.gz RAUSHFQEFUVVEP-JSGCOSHPSA-N 2 1 285.388 -0.722 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001368291409 895966396 /nfs/dbraw/zinc/96/63/96/895966396.db2.gz VIDMMNORZBQWGG-AWEZNQCLSA-N 2 1 296.371 -0.873 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001368291409 895966407 /nfs/dbraw/zinc/96/64/07/895966407.db2.gz VIDMMNORZBQWGG-AWEZNQCLSA-N 2 1 296.371 -0.873 20 0 CBADMP CC[C@H](C(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1)[NH+](C)C ZINC001368318376 895979801 /nfs/dbraw/zinc/97/98/01/895979801.db2.gz GJUXXRCVSSMHNS-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1)[NH+](C)C ZINC001368513897 896024553 /nfs/dbraw/zinc/02/45/53/896024553.db2.gz LHLUSJUBSSZAAS-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001368549760 896033401 /nfs/dbraw/zinc/03/34/01/896033401.db2.gz TYKNRIOSLHTZCX-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001368551199 896033842 /nfs/dbraw/zinc/03/38/42/896033842.db2.gz ZGRUIVGDVVOXMA-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001368551199 896033848 /nfs/dbraw/zinc/03/38/48/896033848.db2.gz ZGRUIVGDVVOXMA-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001368551199 896033860 /nfs/dbraw/zinc/03/38/60/896033860.db2.gz ZGRUIVGDVVOXMA-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001368549417 896036118 /nfs/dbraw/zinc/03/61/18/896036118.db2.gz NDYSOOIYFFKIEN-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001368654906 896053676 /nfs/dbraw/zinc/05/36/76/896053676.db2.gz OUAABTWKFYEWBR-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001368729600 896071575 /nfs/dbraw/zinc/07/15/75/896071575.db2.gz OBYGMKVZFCELHH-QWHCGFSZSA-N 2 1 294.403 -0.143 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001368780908 896078979 /nfs/dbraw/zinc/07/89/79/896078979.db2.gz HAWYNZMVIPFHQI-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1nncn1C ZINC001368896841 896106765 /nfs/dbraw/zinc/10/67/65/896106765.db2.gz AWVKFMYBWCZTQS-NWDGAFQWSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1nncn1C ZINC001368896850 896108060 /nfs/dbraw/zinc/10/80/60/896108060.db2.gz AWVKFMYBWCZTQS-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[NH+](CC)CC(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001452810332 914035248 /nfs/dbraw/zinc/03/52/48/914035248.db2.gz GZJLYMSALMGLMZ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001368952582 896118692 /nfs/dbraw/zinc/11/86/92/896118692.db2.gz LHNKBQQRRIAXAW-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001368952582 896118695 /nfs/dbraw/zinc/11/86/95/896118695.db2.gz LHNKBQQRRIAXAW-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC(=O)N(C)C ZINC001369001741 896132479 /nfs/dbraw/zinc/13/24/79/896132479.db2.gz ALTNHVMIWUTQJU-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC(=O)N(C)C ZINC001369001741 896132486 /nfs/dbraw/zinc/13/24/86/896132486.db2.gz ALTNHVMIWUTQJU-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC001369001741 896132492 /nfs/dbraw/zinc/13/24/92/896132492.db2.gz ALTNHVMIWUTQJU-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001369001741 896132498 /nfs/dbraw/zinc/13/24/98/896132498.db2.gz ALTNHVMIWUTQJU-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP COC[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001369094932 896153740 /nfs/dbraw/zinc/15/37/40/896153740.db2.gz UZARUBVOLWZEBD-KWCYVHTRSA-N 2 1 299.415 -0.476 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369309632 896199968 /nfs/dbraw/zinc/19/99/68/896199968.db2.gz VHYMILXPSMRXJW-WDEREUQCSA-N 2 1 270.377 -0.879 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001369331053 896220402 /nfs/dbraw/zinc/22/04/02/896220402.db2.gz DWAYHUUXFSHBEH-VXGBXAGGSA-N 2 1 275.368 -0.105 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cccnc1 ZINC001369371248 896243354 /nfs/dbraw/zinc/24/33/54/896243354.db2.gz GJOKBAXGCIWQEG-AWEZNQCLSA-N 2 1 294.399 -0.012 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001369403177 896260374 /nfs/dbraw/zinc/26/03/74/896260374.db2.gz OTRVKBXHHBQGCW-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001369438894 896268283 /nfs/dbraw/zinc/26/82/83/896268283.db2.gz XOYSBGPZFKTNBA-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001369438894 896268297 /nfs/dbraw/zinc/26/82/97/896268297.db2.gz XOYSBGPZFKTNBA-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]C(C)C)C1 ZINC001369493623 896295201 /nfs/dbraw/zinc/29/52/01/896295201.db2.gz YHUQPLTYOWQEEH-STQMWFEESA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]C(C)C)C1 ZINC001369493623 896295212 /nfs/dbraw/zinc/29/52/12/896295212.db2.gz YHUQPLTYOWQEEH-STQMWFEESA-N 2 1 287.404 -0.476 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)C12CC[NH+](CC1)C2 ZINC001369514950 896305951 /nfs/dbraw/zinc/30/59/51/896305951.db2.gz QZLSMLNUPMJPPE-ZDUSSCGKSA-N 2 1 299.415 -0.784 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)CCO ZINC001369518348 896306365 /nfs/dbraw/zinc/30/63/65/896306365.db2.gz YNLNOVJMDWKVFW-LBPRGKRZSA-N 2 1 275.393 -0.930 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCO ZINC001369518348 896306375 /nfs/dbraw/zinc/30/63/75/896306375.db2.gz YNLNOVJMDWKVFW-LBPRGKRZSA-N 2 1 275.393 -0.930 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001369518348 896306386 /nfs/dbraw/zinc/30/63/86/896306386.db2.gz YNLNOVJMDWKVFW-LBPRGKRZSA-N 2 1 275.393 -0.930 20 0 CBADMP CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001369572374 896318677 /nfs/dbraw/zinc/31/86/77/896318677.db2.gz OZNKQTPTQULRJK-WXRRBKDZSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001369624707 896325935 /nfs/dbraw/zinc/32/59/35/896325935.db2.gz UVOKUENSBAOECO-WXRRBKDZSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C(=O)CC[NH+](C)C ZINC001369836474 896348872 /nfs/dbraw/zinc/34/88/72/896348872.db2.gz HGLQWFGMGFOBJJ-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001370058404 896397485 /nfs/dbraw/zinc/39/74/85/896397485.db2.gz DLQWSLAEHQHLFT-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001370058404 896397502 /nfs/dbraw/zinc/39/75/02/896397502.db2.gz DLQWSLAEHQHLFT-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001370179522 896408240 /nfs/dbraw/zinc/40/82/40/896408240.db2.gz CHJZVKNGTDRGOQ-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001370409725 896423446 /nfs/dbraw/zinc/42/34/46/896423446.db2.gz XZMPPCAULNNGMO-FRRDWIJNSA-N 2 1 285.388 -0.864 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001370391999 896423690 /nfs/dbraw/zinc/42/36/90/896423690.db2.gz JIYGBJPHAUPCJE-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001370427575 896426017 /nfs/dbraw/zinc/42/60/17/896426017.db2.gz KFJIYWAIMIZHCL-QWHCGFSZSA-N 2 1 287.404 -0.476 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001370433361 896429067 /nfs/dbraw/zinc/42/90/67/896429067.db2.gz YSLDPQHETJEGFY-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001370433361 896429075 /nfs/dbraw/zinc/42/90/75/896429075.db2.gz YSLDPQHETJEGFY-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001371237445 896580257 /nfs/dbraw/zinc/58/02/57/896580257.db2.gz MHJARZGERBJUHG-AAEUAGOBSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001371237455 896580960 /nfs/dbraw/zinc/58/09/60/896580960.db2.gz MHJARZGERBJUHG-DGCLKSJQSA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001371350638 896596688 /nfs/dbraw/zinc/59/66/88/896596688.db2.gz QLPWOHYXYBEOSI-CMPLNLGQSA-N 2 1 297.407 -0.609 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001371412236 896604769 /nfs/dbraw/zinc/60/47/69/896604769.db2.gz WUWINNXGBSVVKR-MNOVXSKESA-N 2 1 272.393 -0.443 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001371426260 896608990 /nfs/dbraw/zinc/60/89/90/896608990.db2.gz NTVJMUWDXGNWCN-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001371426260 896608998 /nfs/dbraw/zinc/60/89/98/896608998.db2.gz NTVJMUWDXGNWCN-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001371546128 896632895 /nfs/dbraw/zinc/63/28/95/896632895.db2.gz VSTVENXISFBYNP-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001371572944 896638231 /nfs/dbraw/zinc/63/82/31/896638231.db2.gz WZOJFUGEALSIBT-NEPJUHHUSA-N 2 1 293.371 -0.497 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001371610758 896641726 /nfs/dbraw/zinc/64/17/26/896641726.db2.gz DEROBKBGQCOASI-GFCCVEGCSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001371682418 896650586 /nfs/dbraw/zinc/65/05/86/896650586.db2.gz BBYXCKYMYBWETR-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001371682418 896650596 /nfs/dbraw/zinc/65/05/96/896650596.db2.gz BBYXCKYMYBWETR-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001371682414 896652211 /nfs/dbraw/zinc/65/22/11/896652211.db2.gz BBYXCKYMYBWETR-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001371682414 896652222 /nfs/dbraw/zinc/65/22/22/896652222.db2.gz BBYXCKYMYBWETR-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001371889905 896674631 /nfs/dbraw/zinc/67/46/31/896674631.db2.gz VCWUVZJRLJFTMB-NSHDSACASA-N 2 1 272.393 -0.443 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](C)[C@H]1CCCN(C)C1=O)[NH+](C)C ZINC001372009599 896705978 /nfs/dbraw/zinc/70/59/78/896705978.db2.gz NNSBOXKSXYKFCN-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@H]1CCCN(C)C1=O)[NH+](C)C ZINC001372009599 896705997 /nfs/dbraw/zinc/70/59/97/896705997.db2.gz NNSBOXKSXYKFCN-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001372093176 896724880 /nfs/dbraw/zinc/72/48/80/896724880.db2.gz QZBFPWGAGICJDL-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001372093176 896724887 /nfs/dbraw/zinc/72/48/87/896724887.db2.gz QZBFPWGAGICJDL-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CCN1CCNC1=O ZINC001372218697 896749055 /nfs/dbraw/zinc/74/90/55/896749055.db2.gz KHPBIIHLFSBFIV-LBPRGKRZSA-N 2 1 297.403 -0.989 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCN1CCNC1=O ZINC001372218697 896749066 /nfs/dbraw/zinc/74/90/66/896749066.db2.gz KHPBIIHLFSBFIV-LBPRGKRZSA-N 2 1 297.403 -0.989 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001372225967 896753349 /nfs/dbraw/zinc/75/33/49/896753349.db2.gz YCFWXLTVNCIOBL-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@H](C)C(N)=O ZINC001372573062 896813252 /nfs/dbraw/zinc/81/32/52/896813252.db2.gz FQBDMKMQKXXHQR-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@H](C)C(N)=O ZINC001372573062 896813259 /nfs/dbraw/zinc/81/32/59/896813259.db2.gz FQBDMKMQKXXHQR-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001372573062 896813267 /nfs/dbraw/zinc/81/32/67/896813267.db2.gz FQBDMKMQKXXHQR-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001372573062 896813270 /nfs/dbraw/zinc/81/32/70/896813270.db2.gz FQBDMKMQKXXHQR-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC)[NH+](C)C ZINC001372574282 896814863 /nfs/dbraw/zinc/81/48/63/896814863.db2.gz ZUOBJOLAOSDFMS-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC)[NH+](C)C ZINC001372574282 896814873 /nfs/dbraw/zinc/81/48/73/896814873.db2.gz ZUOBJOLAOSDFMS-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001372668723 896834268 /nfs/dbraw/zinc/83/42/68/896834268.db2.gz TUBUMSNNFQWASJ-ZDUSSCGKSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1nnnn1C ZINC001372985483 896920047 /nfs/dbraw/zinc/92/00/47/896920047.db2.gz BLJPFQGBDXGHGI-MNOVXSKESA-N 2 1 295.391 -0.729 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)c1nnnn1C ZINC001372985483 896920066 /nfs/dbraw/zinc/92/00/66/896920066.db2.gz BLJPFQGBDXGHGI-MNOVXSKESA-N 2 1 295.391 -0.729 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001372994110 896921649 /nfs/dbraw/zinc/92/16/49/896921649.db2.gz TZIFJPQVVIJQKX-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001373187534 896952222 /nfs/dbraw/zinc/95/22/22/896952222.db2.gz AFAPFMLDKUZVPI-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001373366831 896985725 /nfs/dbraw/zinc/98/57/25/896985725.db2.gz QHJAMQDUKCKDSJ-RDBSUJKOSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+](CC)CC(=O)NCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001373459067 897021158 /nfs/dbraw/zinc/02/11/58/897021158.db2.gz OAAKPZMDYGURLH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001373612811 897068824 /nfs/dbraw/zinc/06/88/24/897068824.db2.gz AAJHKJZVKCYBKU-RWMBFGLXSA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001373612811 897068836 /nfs/dbraw/zinc/06/88/36/897068836.db2.gz AAJHKJZVKCYBKU-RWMBFGLXSA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001373612811 897068850 /nfs/dbraw/zinc/06/88/50/897068850.db2.gz AAJHKJZVKCYBKU-RWMBFGLXSA-N 2 1 285.388 -0.864 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001373612611 897070124 /nfs/dbraw/zinc/07/01/24/897070124.db2.gz GEAVLVMUMLAGAA-STQMWFEESA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001373612611 897070137 /nfs/dbraw/zinc/07/01/37/897070137.db2.gz GEAVLVMUMLAGAA-STQMWFEESA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001373612611 897070154 /nfs/dbraw/zinc/07/01/54/897070154.db2.gz GEAVLVMUMLAGAA-STQMWFEESA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001373612611 897070169 /nfs/dbraw/zinc/07/01/69/897070169.db2.gz GEAVLVMUMLAGAA-STQMWFEESA-N 2 1 298.431 -0.006 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001373639558 897084604 /nfs/dbraw/zinc/08/46/04/897084604.db2.gz BRODZRFFZHFDGE-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001373639558 897084612 /nfs/dbraw/zinc/08/46/12/897084612.db2.gz BRODZRFFZHFDGE-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001373639558 897084619 /nfs/dbraw/zinc/08/46/19/897084619.db2.gz BRODZRFFZHFDGE-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC001373646409 897085065 /nfs/dbraw/zinc/08/50/65/897085065.db2.gz JTOPARPGUHBYGQ-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC001373646409 897085080 /nfs/dbraw/zinc/08/50/80/897085080.db2.gz JTOPARPGUHBYGQ-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001373646409 897085092 /nfs/dbraw/zinc/08/50/92/897085092.db2.gz JTOPARPGUHBYGQ-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001373646409 897085103 /nfs/dbraw/zinc/08/51/03/897085103.db2.gz JTOPARPGUHBYGQ-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CCN(CC(=O)NC)C1 ZINC001373709825 897100724 /nfs/dbraw/zinc/10/07/24/897100724.db2.gz IZQHJCALUZUBTJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001373709825 897100740 /nfs/dbraw/zinc/10/07/40/897100740.db2.gz IZQHJCALUZUBTJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001373709825 897100748 /nfs/dbraw/zinc/10/07/48/897100748.db2.gz IZQHJCALUZUBTJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001373709825 897100758 /nfs/dbraw/zinc/10/07/58/897100758.db2.gz IZQHJCALUZUBTJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001373709825 897100767 /nfs/dbraw/zinc/10/07/67/897100767.db2.gz IZQHJCALUZUBTJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001373830095 897130375 /nfs/dbraw/zinc/13/03/75/897130375.db2.gz HYYYKRLVXPAISY-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001373830095 897130386 /nfs/dbraw/zinc/13/03/86/897130386.db2.gz HYYYKRLVXPAISY-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001373963347 897141567 /nfs/dbraw/zinc/14/15/67/897141567.db2.gz BAIYTFFHSAQYSD-FRRDWIJNSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001373967671 897144540 /nfs/dbraw/zinc/14/45/40/897144540.db2.gz UEEQZLAOKHVABO-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001374017632 897155766 /nfs/dbraw/zinc/15/57/66/897155766.db2.gz WRMZGWGFSUZURL-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1nnn(C)n1)[NH+](C)C ZINC001374078180 897164908 /nfs/dbraw/zinc/16/49/08/897164908.db2.gz NNRDWGHYECWOBH-QWRGUYRKSA-N 2 1 297.407 -0.608 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1nncn1C ZINC001374111869 897171085 /nfs/dbraw/zinc/17/10/85/897171085.db2.gz GKUZWVYMTKOZRF-GFCCVEGCSA-N 2 1 296.419 -0.003 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374281480 897200026 /nfs/dbraw/zinc/20/00/26/897200026.db2.gz OHPVHAPKOMSJDE-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374281487 897201977 /nfs/dbraw/zinc/20/19/77/897201977.db2.gz OHPVHAPKOMSJDE-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)CC[NH+](C)C ZINC001374278942 897203211 /nfs/dbraw/zinc/20/32/11/897203211.db2.gz WQDRUMCQQXQJPO-LLVKDONJSA-N 2 1 282.392 -0.297 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374312901 897210841 /nfs/dbraw/zinc/21/08/41/897210841.db2.gz MTEXBRJSQIPIIK-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(N)=O ZINC001374424005 897223222 /nfs/dbraw/zinc/22/32/22/897223222.db2.gz GFRKRMBCOBTAOO-LBPRGKRZSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001374442703 897230301 /nfs/dbraw/zinc/23/03/01/897230301.db2.gz FILWXWCIUMVFFN-RYUDHWBXSA-N 2 1 284.404 -0.456 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001374530593 897247690 /nfs/dbraw/zinc/24/76/90/897247690.db2.gz PGKQTUXTMJJDIE-CYBMUJFWSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001374530593 897247707 /nfs/dbraw/zinc/24/77/07/897247707.db2.gz PGKQTUXTMJJDIE-CYBMUJFWSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001374530595 897249721 /nfs/dbraw/zinc/24/97/21/897249721.db2.gz PGKQTUXTMJJDIE-ZDUSSCGKSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001374530595 897249735 /nfs/dbraw/zinc/24/97/35/897249735.db2.gz PGKQTUXTMJJDIE-ZDUSSCGKSA-N 2 1 298.431 -0.018 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001374560714 897261950 /nfs/dbraw/zinc/26/19/50/897261950.db2.gz DYVNUJPAOSHUTL-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001374789379 897393781 /nfs/dbraw/zinc/39/37/81/897393781.db2.gz GPNKFODNYCKVHU-SNVBAGLBSA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)CCC[NH+](C)C ZINC001374804924 897396503 /nfs/dbraw/zinc/39/65/03/897396503.db2.gz HGNSVTRQTRFTJT-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001374826911 897402752 /nfs/dbraw/zinc/40/27/52/897402752.db2.gz DVSGOLCXZAGENR-SNVBAGLBSA-N 2 1 283.380 -0.854 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001374826911 897402759 /nfs/dbraw/zinc/40/27/59/897402759.db2.gz DVSGOLCXZAGENR-SNVBAGLBSA-N 2 1 283.380 -0.854 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001374835306 897407738 /nfs/dbraw/zinc/40/77/38/897407738.db2.gz RHKPEDXRRMQGTE-LLVKDONJSA-N 2 1 292.387 -0.495 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001374871817 897415367 /nfs/dbraw/zinc/41/53/67/897415367.db2.gz BGCBNDBZECTSHE-RYUDHWBXSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374921957 897433489 /nfs/dbraw/zinc/43/34/89/897433489.db2.gz RQOKEJUYOHYKAL-AAEUAGOBSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001374921957 897433501 /nfs/dbraw/zinc/43/35/01/897433501.db2.gz RQOKEJUYOHYKAL-AAEUAGOBSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C1CC[NH+](C)CC1 ZINC001374929226 897434078 /nfs/dbraw/zinc/43/40/78/897434078.db2.gz ATUCLBIPCGUAJV-NSHDSACASA-N 2 1 294.403 -0.249 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001374932292 897435168 /nfs/dbraw/zinc/43/51/68/897435168.db2.gz YCNJSZBHLHBIDM-WCQYABFASA-N 2 1 296.419 -0.004 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001374950798 897437494 /nfs/dbraw/zinc/43/74/94/897437494.db2.gz IROGMQUWZCHFGS-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001375153646 897486725 /nfs/dbraw/zinc/48/67/25/897486725.db2.gz LCHNXDIPPKCWDQ-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)CC[N@H+]1C ZINC001375225816 897499113 /nfs/dbraw/zinc/49/91/13/897499113.db2.gz TZMJRJKBCCZOAT-JLLWLGSASA-N 2 1 282.388 -0.704 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CC1)C(N)=O ZINC001375428244 897542083 /nfs/dbraw/zinc/54/20/83/897542083.db2.gz BTAOPNVKDVLNOW-SNVBAGLBSA-N 2 1 282.388 -0.417 20 0 CBADMP CC[C@H]([NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CC1)C(N)=O ZINC001375430099 897542805 /nfs/dbraw/zinc/54/28/05/897542805.db2.gz WYENPQONPBTJBJ-LBPRGKRZSA-N 2 1 296.415 -0.027 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001375540850 897564216 /nfs/dbraw/zinc/56/42/16/897564216.db2.gz HQJDWVLEDAJRRV-AVGNSLFASA-N 2 1 296.415 -0.441 20 0 CBADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001375635315 897576437 /nfs/dbraw/zinc/57/64/37/897576437.db2.gz YIYJECVONGMJBO-OLZOCXBDSA-N 2 1 296.415 -0.406 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH+](CCO)CCO)C2)C1 ZINC001375624104 897578098 /nfs/dbraw/zinc/57/80/98/897578098.db2.gz XGEQNNYWALHSBG-UONOGXRCSA-N 2 1 299.415 -0.784 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH+](CCO)CCO)C2)C1 ZINC001375624105 897578908 /nfs/dbraw/zinc/57/89/08/897578908.db2.gz XGEQNNYWALHSBG-ZIAGYGMSSA-N 2 1 299.415 -0.784 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC(=O)N(C)C)C1 ZINC001375858902 897615669 /nfs/dbraw/zinc/61/56/69/897615669.db2.gz WMIBUHPNRZQYTN-HNNXBMFYSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC(=O)N(C)C)C1 ZINC001375858902 897615674 /nfs/dbraw/zinc/61/56/74/897615674.db2.gz WMIBUHPNRZQYTN-HNNXBMFYSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](CC(=O)N(C)C)C1 ZINC001375858902 897615679 /nfs/dbraw/zinc/61/56/79/897615679.db2.gz WMIBUHPNRZQYTN-HNNXBMFYSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001375858902 897615685 /nfs/dbraw/zinc/61/56/85/897615685.db2.gz WMIBUHPNRZQYTN-HNNXBMFYSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC(=O)N(C)C)C1 ZINC001375858904 897615955 /nfs/dbraw/zinc/61/59/55/897615955.db2.gz WMIBUHPNRZQYTN-OAHLLOKOSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC(=O)N(C)C)C1 ZINC001375858904 897615965 /nfs/dbraw/zinc/61/59/65/897615965.db2.gz WMIBUHPNRZQYTN-OAHLLOKOSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](CC(=O)N(C)C)C1 ZINC001375858904 897615974 /nfs/dbraw/zinc/61/59/74/897615974.db2.gz WMIBUHPNRZQYTN-OAHLLOKOSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001375858904 897615982 /nfs/dbraw/zinc/61/59/82/897615982.db2.gz WMIBUHPNRZQYTN-OAHLLOKOSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)NC)CC1)[NH+](C)C ZINC001376022551 897632786 /nfs/dbraw/zinc/63/27/86/897632786.db2.gz XENXNUAOALTGSC-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCCO)C1 ZINC001376043805 897641171 /nfs/dbraw/zinc/64/11/71/897641171.db2.gz BGQZJRQAVZBJMF-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001376043805 897641177 /nfs/dbraw/zinc/64/11/77/897641177.db2.gz BGQZJRQAVZBJMF-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001376043805 897641183 /nfs/dbraw/zinc/64/11/83/897641183.db2.gz BGQZJRQAVZBJMF-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](CCF)C2)C1 ZINC001376087607 897647928 /nfs/dbraw/zinc/64/79/28/897647928.db2.gz GVEMRGFUXWVVPV-WCQYABFASA-N 2 1 273.352 -0.539 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](CCF)C2)C1 ZINC001376087607 897647936 /nfs/dbraw/zinc/64/79/36/897647936.db2.gz GVEMRGFUXWVVPV-WCQYABFASA-N 2 1 273.352 -0.539 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@H+](CCF)C2)C1 ZINC001376087607 897647941 /nfs/dbraw/zinc/64/79/41/897647941.db2.gz GVEMRGFUXWVVPV-WCQYABFASA-N 2 1 273.352 -0.539 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)C1 ZINC001376087607 897647947 /nfs/dbraw/zinc/64/79/47/897647947.db2.gz GVEMRGFUXWVVPV-WCQYABFASA-N 2 1 273.352 -0.539 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001376097496 897652653 /nfs/dbraw/zinc/65/26/53/897652653.db2.gz URNHMVGCVAYPJX-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001376097496 897652666 /nfs/dbraw/zinc/65/26/66/897652666.db2.gz URNHMVGCVAYPJX-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376097496 897652677 /nfs/dbraw/zinc/65/26/77/897652677.db2.gz URNHMVGCVAYPJX-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCOC)C1)[NH+](C)C ZINC001376100116 897654329 /nfs/dbraw/zinc/65/43/29/897654329.db2.gz ZSPPETSDOXMCHJ-GXTWGEPZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376132928 897668935 /nfs/dbraw/zinc/66/89/35/897668935.db2.gz KHOFOUSWXBWILK-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376132928 897668941 /nfs/dbraw/zinc/66/89/41/897668941.db2.gz KHOFOUSWXBWILK-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376154981 897675494 /nfs/dbraw/zinc/67/54/94/897675494.db2.gz SDBFQGDHWJDHOG-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376154981 897675501 /nfs/dbraw/zinc/67/55/01/897675501.db2.gz SDBFQGDHWJDHOG-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001376365648 897720603 /nfs/dbraw/zinc/72/06/03/897720603.db2.gz KLATXTCMIGIUNM-HAQNSBGRSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001376509325 897762563 /nfs/dbraw/zinc/76/25/63/897762563.db2.gz FPXJRYDXMWHFRV-TXEJJXNPSA-N 2 1 294.403 -0.108 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001376801022 897849726 /nfs/dbraw/zinc/84/97/26/897849726.db2.gz MHJPDMHLQDTLSC-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001376815145 897856610 /nfs/dbraw/zinc/85/66/10/897856610.db2.gz ZQFKCYNPQVOGCJ-JQWIXIFHSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001376871705 897876158 /nfs/dbraw/zinc/87/61/58/897876158.db2.gz BAQLQBVMMCUHEJ-QWRGUYRKSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001376871705 897876170 /nfs/dbraw/zinc/87/61/70/897876170.db2.gz BAQLQBVMMCUHEJ-QWRGUYRKSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnn(C)n1 ZINC001376886005 897880997 /nfs/dbraw/zinc/88/09/97/897880997.db2.gz SCIFTZZMRPMGMH-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001376933625 897894134 /nfs/dbraw/zinc/89/41/34/897894134.db2.gz WBPRMHRCQIOZKO-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CNC(=O)CC[NH+](C)C ZINC001376963485 897899548 /nfs/dbraw/zinc/89/95/48/897899548.db2.gz LSIQPWADGMDOEQ-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001376991924 897908849 /nfs/dbraw/zinc/90/88/49/897908849.db2.gz DCFZYEOIPQACKB-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001376991924 897908856 /nfs/dbraw/zinc/90/88/56/897908856.db2.gz DCFZYEOIPQACKB-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001376991924 897908862 /nfs/dbraw/zinc/90/88/62/897908862.db2.gz DCFZYEOIPQACKB-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001376991924 897908868 /nfs/dbraw/zinc/90/88/68/897908868.db2.gz DCFZYEOIPQACKB-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001377020664 897915818 /nfs/dbraw/zinc/91/58/18/897915818.db2.gz REBBTEJXBAJDIV-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001377020664 897915829 /nfs/dbraw/zinc/91/58/29/897915829.db2.gz REBBTEJXBAJDIV-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377020664 897915837 /nfs/dbraw/zinc/91/58/37/897915837.db2.gz REBBTEJXBAJDIV-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001377177518 897960682 /nfs/dbraw/zinc/96/06/82/897960682.db2.gz SKVDLRIIASBYFS-CQSZACIVSA-N 2 1 296.371 -0.873 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C[C@@H](C)OC)C1 ZINC001377264240 897992267 /nfs/dbraw/zinc/99/22/67/897992267.db2.gz AOSUECZLKSBXPQ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C[C@@H](C)OC)C1 ZINC001377264240 897992283 /nfs/dbraw/zinc/99/22/83/897992283.db2.gz AOSUECZLKSBXPQ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)C[C@@H](C)OC)C1 ZINC001377264240 897992301 /nfs/dbraw/zinc/99/23/01/897992301.db2.gz AOSUECZLKSBXPQ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)C[C@@H](C)OC)C1 ZINC001377264240 897992324 /nfs/dbraw/zinc/99/23/24/897992324.db2.gz AOSUECZLKSBXPQ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001377266625 897995754 /nfs/dbraw/zinc/99/57/54/897995754.db2.gz OFKINYBFBZGSMC-OLZOCXBDSA-N 2 1 298.431 -0.149 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)C(=O)NC ZINC001377314698 898007871 /nfs/dbraw/zinc/00/78/71/898007871.db2.gz UUZSCNFHPDMCGO-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)C(=O)NC ZINC001377314698 898007883 /nfs/dbraw/zinc/00/78/83/898007883.db2.gz UUZSCNFHPDMCGO-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)C(=O)NC ZINC001377314698 898007897 /nfs/dbraw/zinc/00/78/97/898007897.db2.gz UUZSCNFHPDMCGO-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)C(=O)NC ZINC001377314698 898007910 /nfs/dbraw/zinc/00/79/10/898007910.db2.gz UUZSCNFHPDMCGO-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](CC)[C@@H]1CCNC1=O)[NH+](C)C ZINC001377317906 898010938 /nfs/dbraw/zinc/01/09/38/898010938.db2.gz WHGFCPYWVAITRW-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@@H](C)C(N)=O ZINC001377363041 898025422 /nfs/dbraw/zinc/02/54/22/898025422.db2.gz VXPMCHPPYYQYFJ-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@@H](C)C(N)=O ZINC001377363041 898025432 /nfs/dbraw/zinc/02/54/32/898025432.db2.gz VXPMCHPPYYQYFJ-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001377425468 898045381 /nfs/dbraw/zinc/04/53/81/898045381.db2.gz AJDMQUBGZYCGGN-NWDGAFQWSA-N 2 1 284.404 -0.171 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001377488724 898064204 /nfs/dbraw/zinc/06/42/04/898064204.db2.gz QPBJFGBAJZKPTE-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001377557048 898085890 /nfs/dbraw/zinc/08/58/90/898085890.db2.gz HNECPGKOFFDONM-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001377557048 898085901 /nfs/dbraw/zinc/08/59/01/898085901.db2.gz HNECPGKOFFDONM-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001377557048 898085908 /nfs/dbraw/zinc/08/59/08/898085908.db2.gz HNECPGKOFFDONM-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001377557048 898085919 /nfs/dbraw/zinc/08/59/19/898085919.db2.gz HNECPGKOFFDONM-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001377555759 898087517 /nfs/dbraw/zinc/08/75/17/898087517.db2.gz WDFJKHUZGDDUFJ-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001377555759 898087528 /nfs/dbraw/zinc/08/75/28/898087528.db2.gz WDFJKHUZGDDUFJ-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001377555759 898087538 /nfs/dbraw/zinc/08/75/38/898087538.db2.gz WDFJKHUZGDDUFJ-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001377555759 898087549 /nfs/dbraw/zinc/08/75/49/898087549.db2.gz WDFJKHUZGDDUFJ-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001377580436 898093627 /nfs/dbraw/zinc/09/36/27/898093627.db2.gz LFPDCQLANGYLOO-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001377591561 898097419 /nfs/dbraw/zinc/09/74/19/898097419.db2.gz SUTRJYVIAKJMDO-LLVKDONJSA-N 2 1 281.360 -0.626 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001377597091 898101378 /nfs/dbraw/zinc/10/13/78/898101378.db2.gz JGBYHVFAXOYJSW-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)c1nnnn1C ZINC001377598874 898101437 /nfs/dbraw/zinc/10/14/37/898101437.db2.gz ORBMMSRCIWTCRL-NSHDSACASA-N 2 1 295.391 -0.585 20 0 CBADMP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001377596369 898103251 /nfs/dbraw/zinc/10/32/51/898103251.db2.gz HLDAKVSQTARHJQ-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O ZINC001377652009 898110438 /nfs/dbraw/zinc/11/04/38/898110438.db2.gz FUZNLPHLNNXWCG-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O ZINC001377652009 898110448 /nfs/dbraw/zinc/11/04/48/898110448.db2.gz FUZNLPHLNNXWCG-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC(=O)NC)C1 ZINC001377758108 898130195 /nfs/dbraw/zinc/13/01/95/898130195.db2.gz KAUYMFWLXOBENS-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC)C1 ZINC001377758108 898130205 /nfs/dbraw/zinc/13/02/05/898130205.db2.gz KAUYMFWLXOBENS-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NC)C1 ZINC001377758108 898130213 /nfs/dbraw/zinc/13/02/13/898130213.db2.gz KAUYMFWLXOBENS-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001377804784 898139914 /nfs/dbraw/zinc/13/99/14/898139914.db2.gz AHMIECHBSGMKOT-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001377899676 898166030 /nfs/dbraw/zinc/16/60/30/898166030.db2.gz DAHUWTQSPNLXMY-WDEREUQCSA-N 2 1 295.387 -0.190 20 0 CBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001378038890 898211253 /nfs/dbraw/zinc/21/12/53/898211253.db2.gz CNGOMKYWZZQIHF-AVGNSLFASA-N 2 1 285.388 -0.770 20 0 CBADMP CC(C)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001378120351 898246266 /nfs/dbraw/zinc/24/62/66/898246266.db2.gz FYETWCYAUMFKPZ-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001378120351 898246277 /nfs/dbraw/zinc/24/62/77/898246277.db2.gz FYETWCYAUMFKPZ-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)CC)C1)[NH+](C)C ZINC001378131156 898247222 /nfs/dbraw/zinc/24/72/22/898247222.db2.gz UPWFOKQZDYXFOB-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)CC)C1)[NH+](C)C ZINC001378131156 898247236 /nfs/dbraw/zinc/24/72/36/898247236.db2.gz UPWFOKQZDYXFOB-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)CN1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001378148932 898249836 /nfs/dbraw/zinc/24/98/36/898249836.db2.gz MRJMJFIFDUIOJC-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001378148932 898249860 /nfs/dbraw/zinc/24/98/60/898249860.db2.gz MRJMJFIFDUIOJC-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001378148932 898249868 /nfs/dbraw/zinc/24/98/68/898249868.db2.gz MRJMJFIFDUIOJC-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001378148932 898249880 /nfs/dbraw/zinc/24/98/80/898249880.db2.gz MRJMJFIFDUIOJC-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)CN(C)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001378145303 898253676 /nfs/dbraw/zinc/25/36/76/898253676.db2.gz QOHGSEXIQQAAKQ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001378145303 898253692 /nfs/dbraw/zinc/25/36/92/898253692.db2.gz QOHGSEXIQQAAKQ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001378145303 898253709 /nfs/dbraw/zinc/25/37/09/898253709.db2.gz QOHGSEXIQQAAKQ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001378145303 898253743 /nfs/dbraw/zinc/25/37/43/898253743.db2.gz QOHGSEXIQQAAKQ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN([C@H](C)C(=O)N(C)C)C1 ZINC001378135021 898254390 /nfs/dbraw/zinc/25/43/90/898254390.db2.gz GEAVLVMUMLAGAA-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001378135021 898254406 /nfs/dbraw/zinc/25/44/06/898254406.db2.gz GEAVLVMUMLAGAA-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001378135021 898254428 /nfs/dbraw/zinc/25/44/28/898254428.db2.gz GEAVLVMUMLAGAA-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001378135021 898254463 /nfs/dbraw/zinc/25/44/63/898254463.db2.gz GEAVLVMUMLAGAA-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378167948 898257478 /nfs/dbraw/zinc/25/74/78/898257478.db2.gz UQSHSCVRIDKTHG-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378167948 898257490 /nfs/dbraw/zinc/25/74/90/898257490.db2.gz UQSHSCVRIDKTHG-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378165892 898261674 /nfs/dbraw/zinc/26/16/74/898261674.db2.gz NRGNYQNJCJKJAR-QWRGUYRKSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378165892 898261690 /nfs/dbraw/zinc/26/16/90/898261690.db2.gz NRGNYQNJCJKJAR-QWRGUYRKSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[N@@H+](C)CCO ZINC001378179734 898264984 /nfs/dbraw/zinc/26/49/84/898264984.db2.gz XFTNWGKCSBREOJ-LBPRGKRZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)[NH+](C)C ZINC001378193743 898268497 /nfs/dbraw/zinc/26/84/97/898268497.db2.gz IYOVSPKIRKAZNA-ZYHUDNBSSA-N 2 1 272.393 -0.506 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001378193743 898268509 /nfs/dbraw/zinc/26/85/09/898268509.db2.gz IYOVSPKIRKAZNA-ZYHUDNBSSA-N 2 1 272.393 -0.506 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001378207522 898276701 /nfs/dbraw/zinc/27/67/01/898276701.db2.gz WYFMCLCIBMUDGZ-VXGBXAGGSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001378207522 898276718 /nfs/dbraw/zinc/27/67/18/898276718.db2.gz WYFMCLCIBMUDGZ-VXGBXAGGSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001378207522 898276735 /nfs/dbraw/zinc/27/67/35/898276735.db2.gz WYFMCLCIBMUDGZ-VXGBXAGGSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001378207522 898276752 /nfs/dbraw/zinc/27/67/52/898276752.db2.gz WYFMCLCIBMUDGZ-VXGBXAGGSA-N 2 1 284.404 -0.267 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]C[C@@H](O)COC ZINC001378303276 898306887 /nfs/dbraw/zinc/30/68/87/898306887.db2.gz PXHCTYPVZQXGAM-JHJVBQTASA-N 2 1 287.404 -0.428 20 0 CBADMP CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@@H](C)C(N)=O ZINC001378336617 898316186 /nfs/dbraw/zinc/31/61/86/898316186.db2.gz HXWZWMBBUCTCGY-QWRGUYRKSA-N 2 1 272.393 -0.315 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001378344183 898322341 /nfs/dbraw/zinc/32/23/41/898322341.db2.gz OZSWNOHVJOMSDZ-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001378561274 898357145 /nfs/dbraw/zinc/35/71/45/898357145.db2.gz QKDLIMVAAYGGSL-GHMZBOCLSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001378725444 898394888 /nfs/dbraw/zinc/39/48/88/898394888.db2.gz OJANEPBIBFSLKP-SYQHCUMBSA-N 2 1 281.400 -0.386 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001378725444 898394902 /nfs/dbraw/zinc/39/49/02/898394902.db2.gz OJANEPBIBFSLKP-SYQHCUMBSA-N 2 1 281.400 -0.386 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001378725444 898394910 /nfs/dbraw/zinc/39/49/10/898394910.db2.gz OJANEPBIBFSLKP-SYQHCUMBSA-N 2 1 281.400 -0.386 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378858045 898422836 /nfs/dbraw/zinc/42/28/36/898422836.db2.gz ZVAYMDAZUJSNQZ-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001378906749 898429454 /nfs/dbraw/zinc/42/94/54/898429454.db2.gz WHZCPLYTBGSAMQ-NSHDSACASA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001454740228 914252640 /nfs/dbraw/zinc/25/26/40/914252640.db2.gz OGEJWZOIKFNUBK-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CCO ZINC001379004641 898440660 /nfs/dbraw/zinc/44/06/60/898440660.db2.gz QYRFRKMZSKSQMQ-ZDUSSCGKSA-N 2 1 287.404 -0.569 20 0 CBADMP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnn(C)n1 ZINC001378997543 898442058 /nfs/dbraw/zinc/44/20/58/898442058.db2.gz XGHFTEFQIHWDIO-CYBMUJFWSA-N 2 1 296.419 -0.003 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001379034710 898449882 /nfs/dbraw/zinc/44/98/82/898449882.db2.gz QVWXSWMDVRUXKE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001379034710 898449894 /nfs/dbraw/zinc/44/98/94/898449894.db2.gz QVWXSWMDVRUXKE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001379034710 898449910 /nfs/dbraw/zinc/44/99/10/898449910.db2.gz QVWXSWMDVRUXKE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001379034710 898449925 /nfs/dbraw/zinc/44/99/25/898449925.db2.gz QVWXSWMDVRUXKE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001379034720 898451814 /nfs/dbraw/zinc/45/18/14/898451814.db2.gz QVWXSWMDVRUXKE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001379034720 898451823 /nfs/dbraw/zinc/45/18/23/898451823.db2.gz QVWXSWMDVRUXKE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001379034720 898451831 /nfs/dbraw/zinc/45/18/31/898451831.db2.gz QVWXSWMDVRUXKE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001379034720 898451840 /nfs/dbraw/zinc/45/18/40/898451840.db2.gz QVWXSWMDVRUXKE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CC(N)=O)C1 ZINC001379148682 898473526 /nfs/dbraw/zinc/47/35/26/898473526.db2.gz JOCLONGEUTUVTE-CHWSQXEVSA-N 2 1 296.415 -0.265 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379134764 898473695 /nfs/dbraw/zinc/47/36/95/898473695.db2.gz UUCQYVPSXUPVMP-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(N)=O)C1 ZINC001379148682 898473533 /nfs/dbraw/zinc/47/35/33/898473533.db2.gz JOCLONGEUTUVTE-CHWSQXEVSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(N)=O)C1 ZINC001379148682 898473536 /nfs/dbraw/zinc/47/35/36/898473536.db2.gz JOCLONGEUTUVTE-CHWSQXEVSA-N 2 1 296.415 -0.265 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001379134764 898473671 /nfs/dbraw/zinc/47/36/71/898473671.db2.gz UUCQYVPSXUPVMP-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001379134764 898473679 /nfs/dbraw/zinc/47/36/79/898473679.db2.gz UUCQYVPSXUPVMP-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001379134764 898473687 /nfs/dbraw/zinc/47/36/87/898473687.db2.gz UUCQYVPSXUPVMP-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CC(N)=O)C1 ZINC001379148687 898474306 /nfs/dbraw/zinc/47/43/06/898474306.db2.gz JOCLONGEUTUVTE-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(N)=O)C1 ZINC001379148687 898474313 /nfs/dbraw/zinc/47/43/13/898474313.db2.gz JOCLONGEUTUVTE-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(N)=O)C1 ZINC001379148687 898474319 /nfs/dbraw/zinc/47/43/19/898474319.db2.gz JOCLONGEUTUVTE-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001379191102 898496978 /nfs/dbraw/zinc/49/69/78/898496978.db2.gz PADIWMOWPJNEIH-KOLCDFICSA-N 2 1 281.360 -0.498 20 0 CBADMP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)on1 ZINC001379227985 898514438 /nfs/dbraw/zinc/51/44/38/898514438.db2.gz MSZNZVUSABHSJP-WCQYABFASA-N 2 1 296.371 -0.356 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnns2)C1 ZINC001379280508 898537259 /nfs/dbraw/zinc/53/72/59/898537259.db2.gz DGJALRQPOLEUGU-UWVGGRQHSA-N 2 1 299.400 -0.944 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccn2)C1 ZINC001379290165 898540509 /nfs/dbraw/zinc/54/05/09/898540509.db2.gz QYPWVNGQZPBEIM-GXTWGEPZSA-N 2 1 292.383 -0.400 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379356155 898572270 /nfs/dbraw/zinc/57/22/70/898572270.db2.gz GFAVTOSZJWQNGL-JHJVBQTASA-N 2 1 298.431 -0.055 20 0 CBADMP C[C@H](C[NH2+]C[C@H](C)O)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001379381382 898591944 /nfs/dbraw/zinc/59/19/44/898591944.db2.gz KLHBQOIPMYOHCE-ZJUUUORDSA-N 2 1 284.360 -0.175 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001379391436 898596422 /nfs/dbraw/zinc/59/64/22/898596422.db2.gz YQQAFANSROBDPV-MWLCHTKSSA-N 2 1 281.360 -0.580 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001379466971 898625030 /nfs/dbraw/zinc/62/50/30/898625030.db2.gz NXAFJGWSOBJPIJ-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379513726 898650290 /nfs/dbraw/zinc/65/02/90/898650290.db2.gz GIPRLYJTTNWEOA-DMDPSCGWSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001379518254 898653581 /nfs/dbraw/zinc/65/35/81/898653581.db2.gz KKXXZSUMLGFJRL-WDEREUQCSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001379518254 898653597 /nfs/dbraw/zinc/65/35/97/898653597.db2.gz KKXXZSUMLGFJRL-WDEREUQCSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001379518832 898654822 /nfs/dbraw/zinc/65/48/22/898654822.db2.gz JTSWRCHHAKXHSI-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@@H]1[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CC[NH+](C)C ZINC001379556535 898665027 /nfs/dbraw/zinc/66/50/27/898665027.db2.gz RNIKJLAUCRBAHR-VXGBXAGGSA-N 2 1 294.403 -0.154 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001379592256 898678395 /nfs/dbraw/zinc/67/83/95/898678395.db2.gz BNXUXUYUKONTBE-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379676153 898697546 /nfs/dbraw/zinc/69/75/46/898697546.db2.gz ZUICSXMDLNZCEH-YPMHNXCESA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379676153 898697560 /nfs/dbraw/zinc/69/75/60/898697560.db2.gz ZUICSXMDLNZCEH-YPMHNXCESA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001379684609 898698491 /nfs/dbraw/zinc/69/84/91/898698491.db2.gz VHGXNYQDXVREMF-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001379684609 898698493 /nfs/dbraw/zinc/69/84/93/898698493.db2.gz VHGXNYQDXVREMF-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1C[C@@H](O)COC)[NH+](C)C ZINC001379984073 898780615 /nfs/dbraw/zinc/78/06/15/898780615.db2.gz UQBVQNLQAMWNKU-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1C[C@@H](O)COC)[NH+](C)C ZINC001379984073 898780619 /nfs/dbraw/zinc/78/06/19/898780619.db2.gz UQBVQNLQAMWNKU-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001380027530 898790789 /nfs/dbraw/zinc/79/07/89/898790789.db2.gz SLPYHRRHUMRGFX-OLZOCXBDSA-N 2 1 297.399 -0.720 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001380129994 898816127 /nfs/dbraw/zinc/81/61/27/898816127.db2.gz DUOFKAYCZFBGOR-GHMZBOCLSA-N 2 1 282.388 -0.547 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001380181446 898829976 /nfs/dbraw/zinc/82/99/76/898829976.db2.gz OETBRVKTSGQSJO-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001380181446 898829987 /nfs/dbraw/zinc/82/99/87/898829987.db2.gz OETBRVKTSGQSJO-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001380289374 898853442 /nfs/dbraw/zinc/85/34/42/898853442.db2.gz JMIHUCJVZBRERE-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CC(=O)NC)C1 ZINC001380376848 898870634 /nfs/dbraw/zinc/87/06/34/898870634.db2.gz HNNIXIILCPOHHW-AWEZNQCLSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CC(=O)NC)C1 ZINC001380376848 898870648 /nfs/dbraw/zinc/87/06/48/898870648.db2.gz HNNIXIILCPOHHW-AWEZNQCLSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC)C1 ZINC001380376848 898870657 /nfs/dbraw/zinc/87/06/57/898870657.db2.gz HNNIXIILCPOHHW-AWEZNQCLSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC)C1 ZINC001380376848 898870678 /nfs/dbraw/zinc/87/06/78/898870678.db2.gz HNNIXIILCPOHHW-AWEZNQCLSA-N 2 1 284.404 -0.345 20 0 CBADMP O=C(NC[C@]1(O)CC[N@H+](CCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001380531467 898890200 /nfs/dbraw/zinc/89/02/00/898890200.db2.gz GFZYNEHGPSLTOU-UKRRQHHQSA-N 2 1 299.390 -0.149 20 0 CBADMP O=C(NC[C@]1(O)CC[N@@H+](CCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001380531467 898890209 /nfs/dbraw/zinc/89/02/09/898890209.db2.gz GFZYNEHGPSLTOU-UKRRQHHQSA-N 2 1 299.390 -0.149 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001380539420 898891463 /nfs/dbraw/zinc/89/14/63/898891463.db2.gz UMRLWPKGGPRNGG-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001380539420 898891470 /nfs/dbraw/zinc/89/14/70/898891470.db2.gz UMRLWPKGGPRNGG-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001380539420 898891482 /nfs/dbraw/zinc/89/14/82/898891482.db2.gz UMRLWPKGGPRNGG-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC001380909058 898968859 /nfs/dbraw/zinc/96/88/59/898968859.db2.gz BFZYBSITLQRZME-YPMHNXCESA-N 2 1 296.371 -0.611 20 0 CBADMP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(N)=O ZINC001381173545 899007561 /nfs/dbraw/zinc/00/75/61/899007561.db2.gz NCUGOQQMTIVVNV-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(N)=O ZINC001381173545 899007576 /nfs/dbraw/zinc/00/75/76/899007576.db2.gz NCUGOQQMTIVVNV-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O ZINC001381483424 899059638 /nfs/dbraw/zinc/05/96/38/899059638.db2.gz FTLPRPLBFQAIIP-UHFFFAOYSA-N 2 1 295.387 -0.249 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC(=O)N(C)C ZINC001381520061 899072730 /nfs/dbraw/zinc/07/27/30/899072730.db2.gz WLQHIDSGHAKYIV-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CC(=O)N(C)C ZINC001381520061 899072747 /nfs/dbraw/zinc/07/27/47/899072747.db2.gz WLQHIDSGHAKYIV-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CC(=O)N(C)C ZINC001381520061 899072759 /nfs/dbraw/zinc/07/27/59/899072759.db2.gz WLQHIDSGHAKYIV-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CC(=O)N(C)C ZINC001381520061 899072774 /nfs/dbraw/zinc/07/27/74/899072774.db2.gz WLQHIDSGHAKYIV-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)[C@H]1CCNC1=O ZINC001381535943 899076863 /nfs/dbraw/zinc/07/68/63/899076863.db2.gz NOAGRJATTDETRF-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)[C@H]1CCNC1=O ZINC001381535943 899076878 /nfs/dbraw/zinc/07/68/78/899076878.db2.gz NOAGRJATTDETRF-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)[C@H]1CCNC1=O ZINC001381535943 899076895 /nfs/dbraw/zinc/07/68/95/899076895.db2.gz NOAGRJATTDETRF-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001381913548 899128061 /nfs/dbraw/zinc/12/80/61/899128061.db2.gz DNTRYFFMTHTKLA-ZSOGYDGISA-N 2 1 281.400 -0.241 20 0 CBADMP 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 899130838 /nfs/dbraw/zinc/13/08/38/899130838.db2.gz DEDSUODMLDUGJS-ZDEQEGDKSA-N 2 1 296.415 -0.504 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001381919545 899130848 /nfs/dbraw/zinc/13/08/48/899130848.db2.gz DEDSUODMLDUGJS-ZDEQEGDKSA-N 2 1 296.415 -0.504 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001381919545 899130857 /nfs/dbraw/zinc/13/08/57/899130857.db2.gz DEDSUODMLDUGJS-ZDEQEGDKSA-N 2 1 296.415 -0.504 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001381969663 899137667 /nfs/dbraw/zinc/13/76/67/899137667.db2.gz BUVDXFCDAKFQNU-SRVKXCTJSA-N 2 1 282.388 -0.702 20 0 CBADMP C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001382119977 899161415 /nfs/dbraw/zinc/16/14/15/899161415.db2.gz KSHDBKZOROOWTB-LLVKDONJSA-N 2 1 286.420 -0.114 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001382216530 899199183 /nfs/dbraw/zinc/19/91/83/899199183.db2.gz HYJNOADQHDVVKH-CHWSQXEVSA-N 2 1 287.404 -0.834 20 0 CBADMP Cc1nocc1C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001382239260 899207447 /nfs/dbraw/zinc/20/74/47/899207447.db2.gz UJMKYNWAVSRQGK-LBPRGKRZSA-N 2 1 284.360 -0.499 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001382270583 899223732 /nfs/dbraw/zinc/22/37/32/899223732.db2.gz CTKABNLNNXMBOE-STQMWFEESA-N 2 1 296.371 -0.705 20 0 CBADMP Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382275347 899229562 /nfs/dbraw/zinc/22/95/62/899229562.db2.gz SLLIZAPAHLUNEP-NWDGAFQWSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001382275347 899229572 /nfs/dbraw/zinc/22/95/72/899229572.db2.gz SLLIZAPAHLUNEP-NWDGAFQWSA-N 2 1 296.371 -0.499 20 0 CBADMP CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnon1)[NH+](C)C ZINC001382433414 899293867 /nfs/dbraw/zinc/29/38/67/899293867.db2.gz KCIGELLIFDUYAM-NWDGAFQWSA-N 2 1 299.375 -0.681 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001382581646 899334692 /nfs/dbraw/zinc/33/46/92/899334692.db2.gz HIEJNDRRCXDEGJ-BPCQOVAHSA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001382581649 899335269 /nfs/dbraw/zinc/33/52/69/899335269.db2.gz HIEJNDRRCXDEGJ-WXRRBKDZSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001385279187 899558586 /nfs/dbraw/zinc/55/85/86/899558586.db2.gz NYJDJGKEXUWWLQ-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001385346306 899563534 /nfs/dbraw/zinc/56/35/34/899563534.db2.gz LEQUTKZLXVTKDB-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001385940939 899604268 /nfs/dbraw/zinc/60/42/68/899604268.db2.gz MFRXZRRGNUJOOB-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H](C(=O)N(C)CCNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC001386829905 899718550 /nfs/dbraw/zinc/71/85/50/899718550.db2.gz UKNTWIHAKJJHAE-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001387031931 899748200 /nfs/dbraw/zinc/74/82/00/899748200.db2.gz OURUAZLIVAQHEJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001387031931 899748208 /nfs/dbraw/zinc/74/82/08/899748208.db2.gz OURUAZLIVAQHEJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001387031931 899748214 /nfs/dbraw/zinc/74/82/14/899748214.db2.gz OURUAZLIVAQHEJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CC[NH+](C)C ZINC001387752826 899826495 /nfs/dbraw/zinc/82/64/95/899826495.db2.gz YEFYEKFVICOTQH-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP C[NH+](C)CCCC(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001387796398 899832060 /nfs/dbraw/zinc/83/20/60/899832060.db2.gz GARVNHQBXDNRLQ-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](C(=O)NCCN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC001388115643 899868936 /nfs/dbraw/zinc/86/89/36/899868936.db2.gz FQOKEBKTIWYGJX-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001388115730 899869625 /nfs/dbraw/zinc/86/96/25/899869625.db2.gz GHMZWRRSHDORQN-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001388701016 899902710 /nfs/dbraw/zinc/90/27/10/899902710.db2.gz UBMCPFZKJSEVPQ-UTUOFQBUSA-N 2 1 284.404 -0.314 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001388709802 899903551 /nfs/dbraw/zinc/90/35/51/899903551.db2.gz YZXAVUYYRUGDCG-XUXIUFHCSA-N 2 1 299.415 -0.164 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001388709802 899903558 /nfs/dbraw/zinc/90/35/58/899903558.db2.gz YZXAVUYYRUGDCG-XUXIUFHCSA-N 2 1 299.415 -0.164 20 0 CBADMP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001389486273 900027091 /nfs/dbraw/zinc/02/70/91/900027091.db2.gz IWNMIWWFROBICA-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001389486273 900027101 /nfs/dbraw/zinc/02/71/01/900027101.db2.gz IWNMIWWFROBICA-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001389486273 900027104 /nfs/dbraw/zinc/02/71/04/900027104.db2.gz IWNMIWWFROBICA-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001389486273 900027114 /nfs/dbraw/zinc/02/71/14/900027114.db2.gz IWNMIWWFROBICA-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001390374013 900148403 /nfs/dbraw/zinc/14/84/03/900148403.db2.gz PLDQAUBYVJVLDR-YNEHKIRRSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001390433867 900158090 /nfs/dbraw/zinc/15/80/90/900158090.db2.gz OAHMYPLCVREMCF-NWDGAFQWSA-N 2 1 284.404 -0.314 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001390459648 900167340 /nfs/dbraw/zinc/16/73/40/900167340.db2.gz MKIKSEDQDOSVOW-QJPTWQEYSA-N 2 1 273.377 -0.818 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001390484370 900173313 /nfs/dbraw/zinc/17/33/13/900173313.db2.gz RTZKIBOAIHBQOX-PWSUYJOCSA-N 2 1 282.392 -0.250 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCO)C2 ZINC001390482893 900173350 /nfs/dbraw/zinc/17/33/50/900173350.db2.gz OIWUEDPYIXHUPP-PWSUYJOCSA-N 2 1 280.372 -0.159 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]C[C@H]1CCOC1 ZINC001390493168 900176600 /nfs/dbraw/zinc/17/66/00/900176600.db2.gz LUOXQHOEHXRQTB-UONOGXRCSA-N 2 1 299.415 -0.161 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC001390514380 900180114 /nfs/dbraw/zinc/18/01/14/900180114.db2.gz AGPRRZKBHMLIFA-JQWIXIFHSA-N 2 1 293.371 -0.436 20 0 CBADMP CCn1ncc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001390516881 900180576 /nfs/dbraw/zinc/18/05/76/900180576.db2.gz DZIASMGQZZITAW-NEPJUHHUSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001390516881 900180580 /nfs/dbraw/zinc/18/05/80/900180580.db2.gz DZIASMGQZZITAW-NEPJUHHUSA-N 2 1 294.403 -0.156 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001390548663 900187411 /nfs/dbraw/zinc/18/74/11/900187411.db2.gz CPDKYLDHJDPQFK-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001390720737 900216292 /nfs/dbraw/zinc/21/62/92/900216292.db2.gz ZPJWFDYNXIFRKU-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+]Cc1nnnn1C ZINC001390732293 900221417 /nfs/dbraw/zinc/22/14/17/900221417.db2.gz NZZQEMQUSUCYKC-NSHDSACASA-N 2 1 297.407 -0.465 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001390813346 900255631 /nfs/dbraw/zinc/25/56/31/900255631.db2.gz SHKRZPNGSACVNQ-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001390813346 900255641 /nfs/dbraw/zinc/25/56/41/900255641.db2.gz SHKRZPNGSACVNQ-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001390814824 900257408 /nfs/dbraw/zinc/25/74/08/900257408.db2.gz GCRVVZDKKATKRT-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001390814824 900257422 /nfs/dbraw/zinc/25/74/22/900257422.db2.gz GCRVVZDKKATKRT-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001390814824 900257437 /nfs/dbraw/zinc/25/74/37/900257437.db2.gz GCRVVZDKKATKRT-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001390814824 900257452 /nfs/dbraw/zinc/25/74/52/900257452.db2.gz GCRVVZDKKATKRT-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[N@@H+](CCCO)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001390838247 900262075 /nfs/dbraw/zinc/26/20/75/900262075.db2.gz AZORDOKHSFSILE-UHFFFAOYSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001391060604 900299011 /nfs/dbraw/zinc/29/90/11/900299011.db2.gz IVXWOPYVXYFRSS-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001391060604 900299021 /nfs/dbraw/zinc/29/90/21/900299021.db2.gz IVXWOPYVXYFRSS-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001391071075 900305698 /nfs/dbraw/zinc/30/56/98/900305698.db2.gz KXFKHVYXJOSJCD-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001391071075 900305710 /nfs/dbraw/zinc/30/57/10/900305710.db2.gz KXFKHVYXJOSJCD-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CCCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391098379 900307570 /nfs/dbraw/zinc/30/75/70/900307570.db2.gz OTEWYMWECXDUMG-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001391100705 900308412 /nfs/dbraw/zinc/30/84/12/900308412.db2.gz VVCVQHUTAFMJNO-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC(N)=O ZINC001391130018 900319275 /nfs/dbraw/zinc/31/92/75/900319275.db2.gz TUWXAVQEOFDISW-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC(N)=O ZINC001391130018 900319282 /nfs/dbraw/zinc/31/92/82/900319282.db2.gz TUWXAVQEOFDISW-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CC(N)=O ZINC001391130018 900319292 /nfs/dbraw/zinc/31/92/92/900319292.db2.gz TUWXAVQEOFDISW-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)CC(N)=O ZINC001391130018 900319301 /nfs/dbraw/zinc/31/93/01/900319301.db2.gz TUWXAVQEOFDISW-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[C@H]([NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001391226461 900344133 /nfs/dbraw/zinc/34/41/33/900344133.db2.gz IOTRFVHKRQKVKA-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001391228921 900347773 /nfs/dbraw/zinc/34/77/73/900347773.db2.gz SBGANVHQGMSYEA-XQQFMLRXSA-N 2 1 298.431 -0.101 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001391369902 900361136 /nfs/dbraw/zinc/36/11/36/900361136.db2.gz FCCUDBWCQZPXNX-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001391353014 900363196 /nfs/dbraw/zinc/36/31/96/900363196.db2.gz JXXSIZNJGUMAHP-NSHDSACASA-N 2 1 270.377 -0.796 20 0 CBADMP COC[C@@H](C)[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001391516243 900397747 /nfs/dbraw/zinc/39/77/47/900397747.db2.gz SLEADOAYNDEFCE-CYBMUJFWSA-N 2 1 299.415 -0.208 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001391543662 900406993 /nfs/dbraw/zinc/40/69/93/900406993.db2.gz GGMVFBLNNOSWPW-ZOBORPQBSA-N 2 1 299.415 -0.476 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001391543662 900407000 /nfs/dbraw/zinc/40/70/00/900407000.db2.gz GGMVFBLNNOSWPW-ZOBORPQBSA-N 2 1 299.415 -0.476 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001391543662 900407005 /nfs/dbraw/zinc/40/70/05/900407005.db2.gz GGMVFBLNNOSWPW-ZOBORPQBSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001391592999 900416957 /nfs/dbraw/zinc/41/69/57/900416957.db2.gz BGULSSGDHPXHSH-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001391592999 900416965 /nfs/dbraw/zinc/41/69/65/900416965.db2.gz BGULSSGDHPXHSH-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001391592999 900416974 /nfs/dbraw/zinc/41/69/74/900416974.db2.gz BGULSSGDHPXHSH-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001391592999 900416982 /nfs/dbraw/zinc/41/69/82/900416982.db2.gz BGULSSGDHPXHSH-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001391883444 900459782 /nfs/dbraw/zinc/45/97/82/900459782.db2.gz UXIKINMNWABVNK-MNOVXSKESA-N 2 1 270.377 -0.832 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001392048220 900498922 /nfs/dbraw/zinc/49/89/22/900498922.db2.gz GTMXULFWWXNSDJ-QWRGUYRKSA-N 2 1 295.391 -0.759 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001392048220 900498927 /nfs/dbraw/zinc/49/89/27/900498927.db2.gz GTMXULFWWXNSDJ-QWRGUYRKSA-N 2 1 295.391 -0.759 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001392125327 900518773 /nfs/dbraw/zinc/51/87/73/900518773.db2.gz WRAIJWFMKZKQAT-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392133221 900519558 /nfs/dbraw/zinc/51/95/58/900519558.db2.gz MAYAOCYNNVIQFK-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001392225879 900536549 /nfs/dbraw/zinc/53/65/49/900536549.db2.gz HHKVMIPZUMCPKU-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001392271923 900551238 /nfs/dbraw/zinc/55/12/38/900551238.db2.gz MHWOIWBBIZAOBN-VXGBXAGGSA-N 2 1 273.377 -0.912 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001392271923 900551250 /nfs/dbraw/zinc/55/12/50/900551250.db2.gz MHWOIWBBIZAOBN-VXGBXAGGSA-N 2 1 273.377 -0.912 20 0 CBADMP C[C@@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001392271923 900551260 /nfs/dbraw/zinc/55/12/60/900551260.db2.gz MHWOIWBBIZAOBN-VXGBXAGGSA-N 2 1 273.377 -0.912 20 0 CBADMP C[C@@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001392271923 900551271 /nfs/dbraw/zinc/55/12/71/900551271.db2.gz MHWOIWBBIZAOBN-VXGBXAGGSA-N 2 1 273.377 -0.912 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]C[C@H](C)O ZINC001392410558 900607970 /nfs/dbraw/zinc/60/79/70/900607970.db2.gz HQHNTJMWEHPFDL-RYUDHWBXSA-N 2 1 298.387 -0.546 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001392437394 900617633 /nfs/dbraw/zinc/61/76/33/900617633.db2.gz BWMOCRUVIUQHQX-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392466051 900626755 /nfs/dbraw/zinc/62/67/55/900626755.db2.gz LOTOSFVYLWQXHR-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001392500121 900637095 /nfs/dbraw/zinc/63/70/95/900637095.db2.gz FIYOKIVOHJIWMU-DGCLKSJQSA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001392500121 900637099 /nfs/dbraw/zinc/63/70/99/900637099.db2.gz FIYOKIVOHJIWMU-DGCLKSJQSA-N 2 1 294.403 -0.014 20 0 CBADMP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001392504673 900640481 /nfs/dbraw/zinc/64/04/81/900640481.db2.gz MLYZJXHCNHUVAS-RHYQMDGZSA-N 2 1 284.404 -0.315 20 0 CBADMP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001392597877 900669711 /nfs/dbraw/zinc/66/97/11/900669711.db2.gz RZMLGRRXCOJKNG-AXFHLTTASA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392614731 900678581 /nfs/dbraw/zinc/67/85/81/900678581.db2.gz QAEFZCHQXSVCKM-WDEREUQCSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392614731 900678588 /nfs/dbraw/zinc/67/85/88/900678588.db2.gz QAEFZCHQXSVCKM-WDEREUQCSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C1CC1)NC(=O)CC[NH+](C)C ZINC001392688176 900699491 /nfs/dbraw/zinc/69/94/91/900699491.db2.gz KCWJOVDBBBDEOV-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C1CC1)NC(=O)CC[NH+](C)C ZINC001392688176 900699496 /nfs/dbraw/zinc/69/94/96/900699496.db2.gz KCWJOVDBBBDEOV-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP COCC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001392700555 900704077 /nfs/dbraw/zinc/70/40/77/900704077.db2.gz HMOWXCWNLVAONC-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP COCC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001392700555 900704093 /nfs/dbraw/zinc/70/40/93/900704093.db2.gz HMOWXCWNLVAONC-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001392730061 900713970 /nfs/dbraw/zinc/71/39/70/900713970.db2.gz YGGMNNZRPCJRMJ-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001392730061 900713978 /nfs/dbraw/zinc/71/39/78/900713978.db2.gz YGGMNNZRPCJRMJ-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392730061 900713994 /nfs/dbraw/zinc/71/39/94/900713994.db2.gz YGGMNNZRPCJRMJ-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392730061 900714010 /nfs/dbraw/zinc/71/40/10/900714010.db2.gz YGGMNNZRPCJRMJ-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H]([NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1)C(N)=O ZINC001392760987 900718697 /nfs/dbraw/zinc/71/86/97/900718697.db2.gz ALDDAWDATIBAAU-ZWNOBZJWSA-N 2 1 296.415 -0.171 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001392797603 900726775 /nfs/dbraw/zinc/72/67/75/900726775.db2.gz FTOTZYNNJCTEKN-CHWSQXEVSA-N 2 1 296.415 -0.301 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392814324 900731895 /nfs/dbraw/zinc/73/18/95/900731895.db2.gz UOCDXZUUDIJODD-OLZOCXBDSA-N 2 1 296.415 -0.489 20 0 CBADMP CC[C@H](C(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001392822464 900733942 /nfs/dbraw/zinc/73/39/42/900733942.db2.gz GZELUMCKVNDZHJ-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1 ZINC001392905937 900757469 /nfs/dbraw/zinc/75/74/69/900757469.db2.gz GQYDVERDGZXQGW-NWDGAFQWSA-N 2 1 296.415 -0.027 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CCn3cncn3)CC2)C1 ZINC001392957403 900769465 /nfs/dbraw/zinc/76/94/65/900769465.db2.gz VVCGMLZXUIXVAM-LBPRGKRZSA-N 2 1 292.387 -0.532 20 0 CBADMP COC[C@H](O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001392957561 900769568 /nfs/dbraw/zinc/76/95/68/900769568.db2.gz WHXGAAPGYPKAJR-GFCCVEGCSA-N 2 1 296.371 -0.563 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001393050833 900785594 /nfs/dbraw/zinc/78/55/94/900785594.db2.gz BSVZEXHEMCBAGF-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001393055723 900787246 /nfs/dbraw/zinc/78/72/46/900787246.db2.gz ZZLQKAJHXXGTFM-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001393053224 900787637 /nfs/dbraw/zinc/78/76/37/900787637.db2.gz LNECXPOSRHJAEF-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCO)CCOCC2)CC[N@H+]1C ZINC001393213341 900803075 /nfs/dbraw/zinc/80/30/75/900803075.db2.gz VXWINVAXOPPEGC-CHWSQXEVSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001393279750 900825419 /nfs/dbraw/zinc/82/54/19/900825419.db2.gz FIEMNAKTTYCDSY-UKRRQHHQSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001393279750 900825424 /nfs/dbraw/zinc/82/54/24/900825424.db2.gz FIEMNAKTTYCDSY-UKRRQHHQSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001393279750 900825430 /nfs/dbraw/zinc/82/54/30/900825430.db2.gz FIEMNAKTTYCDSY-UKRRQHHQSA-N 2 1 299.415 -0.736 20 0 CBADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001393535159 900871641 /nfs/dbraw/zinc/87/16/41/900871641.db2.gz WAGTYEXWVRMNEH-STQMWFEESA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)Cc1cncn1C ZINC001393644043 900888732 /nfs/dbraw/zinc/88/87/32/900888732.db2.gz LIICIJZYCXTPFG-NSHDSACASA-N 2 1 295.387 -0.383 20 0 CBADMP C[C@@H](C(N)=O)N(C)CCCN(C)C(=O)Cc1cncn1C ZINC001393644043 900888740 /nfs/dbraw/zinc/88/87/40/900888740.db2.gz LIICIJZYCXTPFG-NSHDSACASA-N 2 1 295.387 -0.383 20 0 CBADMP C[C@@H](O)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001393700900 900895399 /nfs/dbraw/zinc/89/53/99/900895399.db2.gz APZWIGOHNOAWRD-CHWSQXEVSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@H](O)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001393700908 900896462 /nfs/dbraw/zinc/89/64/62/900896462.db2.gz APZWIGOHNOAWRD-STQMWFEESA-N 2 1 299.415 -0.284 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001393958103 900938620 /nfs/dbraw/zinc/93/86/20/900938620.db2.gz RUZCGBBWKYWYRY-RYUDHWBXSA-N 2 1 295.387 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001393958095 900939676 /nfs/dbraw/zinc/93/96/76/900939676.db2.gz RUZCGBBWKYWYRY-NWDGAFQWSA-N 2 1 295.387 -0.237 20 0 CBADMP C[C@@H]([NH2+]Cc1ncnn1C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001393965724 900939850 /nfs/dbraw/zinc/93/98/50/900939850.db2.gz FOEUIAAVBGFLPD-MNOVXSKESA-N 2 1 282.392 -0.250 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC001394294396 901008987 /nfs/dbraw/zinc/00/89/87/901008987.db2.gz VLIMSVFVAQDWRD-OAHLLOKOSA-N 2 1 299.415 -0.376 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC001394294396 901009000 /nfs/dbraw/zinc/00/90/00/901009000.db2.gz VLIMSVFVAQDWRD-OAHLLOKOSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC)CC1(C)C ZINC001394298213 901010346 /nfs/dbraw/zinc/01/03/46/901010346.db2.gz DHSYJJOHNXUUJQ-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC)CC1(C)C ZINC001394298213 901010357 /nfs/dbraw/zinc/01/03/57/901010357.db2.gz DHSYJJOHNXUUJQ-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC)CC1(C)C ZINC001394298213 901010370 /nfs/dbraw/zinc/01/03/70/901010370.db2.gz DHSYJJOHNXUUJQ-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)CC1(C)C ZINC001394298213 901010379 /nfs/dbraw/zinc/01/03/79/901010379.db2.gz DHSYJJOHNXUUJQ-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001394336615 901014718 /nfs/dbraw/zinc/01/47/18/901014718.db2.gz ICUCHWBRKIVXJJ-XYYAHUGASA-N 2 1 296.415 -0.680 20 0 CBADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001394373450 901018992 /nfs/dbraw/zinc/01/89/92/901018992.db2.gz ZXKWXODQBULCKM-FIQHERPVSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001394373449 901021467 /nfs/dbraw/zinc/02/14/67/901021467.db2.gz ZXKWXODQBULCKM-DDHJBXDOSA-N 2 1 282.388 -0.561 20 0 CBADMP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001394555264 901049761 /nfs/dbraw/zinc/04/97/61/901049761.db2.gz CHTSBKVQGILNJY-ZYHUDNBSSA-N 2 1 295.387 -0.108 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001394558623 901051597 /nfs/dbraw/zinc/05/15/97/901051597.db2.gz LBCNRKRAICEGKX-SNVBAGLBSA-N 2 1 281.360 -0.626 20 0 CBADMP Cn1cncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001394573025 901063603 /nfs/dbraw/zinc/06/36/03/901063603.db2.gz BFJHVWWFWSTWTE-AAEUAGOBSA-N 2 1 295.387 -0.919 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]C/C=C\Cl ZINC001394584276 901073339 /nfs/dbraw/zinc/07/33/39/901073339.db2.gz WVYUVVMJDWUDSY-HUPZIKASSA-N 2 1 275.780 -0.100 20 0 CBADMP C[C@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)c1cnccn1 ZINC001394623401 901096471 /nfs/dbraw/zinc/09/64/71/901096471.db2.gz TVKHBYJVTOORBM-NWDGAFQWSA-N 2 1 295.387 -0.444 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC001394625311 901098244 /nfs/dbraw/zinc/09/82/44/901098244.db2.gz ZPMRIYXXZHBMQX-ZDUSSCGKSA-N 2 1 280.372 -0.400 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccccn2)C1 ZINC001394654345 901110040 /nfs/dbraw/zinc/11/00/40/901110040.db2.gz FKIUMNQUXVWDOM-GXTWGEPZSA-N 2 1 292.383 -0.400 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccccn2)C1 ZINC001394654345 901110043 /nfs/dbraw/zinc/11/00/43/901110043.db2.gz FKIUMNQUXVWDOM-GXTWGEPZSA-N 2 1 292.383 -0.400 20 0 CBADMP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)on1 ZINC001394658592 901112326 /nfs/dbraw/zinc/11/23/26/901112326.db2.gz YCSFKSHVTXKDLT-RYUDHWBXSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)on1 ZINC001394658592 901112329 /nfs/dbraw/zinc/11/23/29/901112329.db2.gz YCSFKSHVTXKDLT-RYUDHWBXSA-N 2 1 296.371 -0.499 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001394691497 901119609 /nfs/dbraw/zinc/11/96/09/901119609.db2.gz NFJQCGQGAUAPSU-XUJVJEKNSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccon1)[NH+](C)C ZINC001394750013 901140452 /nfs/dbraw/zinc/14/04/52/901140452.db2.gz MWGCYMHHGXXSIK-OLZOCXBDSA-N 2 1 298.387 -0.076 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001395172943 901185563 /nfs/dbraw/zinc/18/55/63/901185563.db2.gz SWGMRDHQCIVXCE-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001397097459 901362995 /nfs/dbraw/zinc/36/29/95/901362995.db2.gz MATFBGWYRMOCCN-IGQOVBAYSA-N 2 1 299.415 -0.570 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC001397261863 901382384 /nfs/dbraw/zinc/38/23/84/901382384.db2.gz SRLKBOYAZHZWBQ-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CCO ZINC001397261863 901382397 /nfs/dbraw/zinc/38/23/97/901382397.db2.gz SRLKBOYAZHZWBQ-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001397254654 901384167 /nfs/dbraw/zinc/38/41/67/901384167.db2.gz XQRBGFKTOMUIPX-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001397254654 901384181 /nfs/dbraw/zinc/38/41/81/901384181.db2.gz XQRBGFKTOMUIPX-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001397700208 901447248 /nfs/dbraw/zinc/44/72/48/901447248.db2.gz RGVAGALFESKNQQ-IJLUTSLNSA-N 2 1 284.404 -0.314 20 0 CBADMP CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001397925002 901478616 /nfs/dbraw/zinc/47/86/16/901478616.db2.gz AHYHKHXEKUTBEA-QWHCGFSZSA-N 2 1 296.415 -0.536 20 0 CBADMP CN(CCNC(=O)[C@H]1CC[NH+](C)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001397925002 901478620 /nfs/dbraw/zinc/47/86/20/901478620.db2.gz AHYHKHXEKUTBEA-QWHCGFSZSA-N 2 1 296.415 -0.536 20 0 CBADMP CN(CCNC(=O)[C@H]1CC[NH+](C)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001397925002 901478628 /nfs/dbraw/zinc/47/86/28/901478628.db2.gz AHYHKHXEKUTBEA-QWHCGFSZSA-N 2 1 296.415 -0.536 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001398341041 901526273 /nfs/dbraw/zinc/52/62/73/901526273.db2.gz USLXXLYBUIUARJ-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001398341041 901526283 /nfs/dbraw/zinc/52/62/83/901526283.db2.gz USLXXLYBUIUARJ-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001398345356 901527451 /nfs/dbraw/zinc/52/74/51/901527451.db2.gz RLGROXVXJSDJMJ-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001398345356 901527460 /nfs/dbraw/zinc/52/74/60/901527460.db2.gz RLGROXVXJSDJMJ-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001398345356 901527469 /nfs/dbraw/zinc/52/74/69/901527469.db2.gz RLGROXVXJSDJMJ-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001398345356 901527479 /nfs/dbraw/zinc/52/74/79/901527479.db2.gz RLGROXVXJSDJMJ-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001398366182 901531854 /nfs/dbraw/zinc/53/18/54/901531854.db2.gz QLCLHQQVZLJOFG-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001398554313 901557633 /nfs/dbraw/zinc/55/76/33/901557633.db2.gz FQUYMVUADFILTQ-SRVKXCTJSA-N 2 1 282.388 -0.689 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC(NC(=O)CC[NH+](C)CC)C1 ZINC001398697996 901591227 /nfs/dbraw/zinc/59/12/27/901591227.db2.gz VBHKUYXVXZMPQO-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC(NC(=O)CC[N@H+](C)CC)C1 ZINC001398697996 901591235 /nfs/dbraw/zinc/59/12/35/901591235.db2.gz VBHKUYXVXZMPQO-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001398697996 901591241 /nfs/dbraw/zinc/59/12/41/901591241.db2.gz VBHKUYXVXZMPQO-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001398793035 901602539 /nfs/dbraw/zinc/60/25/39/901602539.db2.gz BYLFSTHTXJSNRK-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NCC1CC1 ZINC001398889658 901623078 /nfs/dbraw/zinc/62/30/78/901623078.db2.gz SVMUYVTVKNPBIS-DGCLKSJQSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001398950475 901637673 /nfs/dbraw/zinc/63/76/73/901637673.db2.gz PASLRXBBFJEYOR-AAEUAGOBSA-N 2 1 296.419 -0.004 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001398961270 901641012 /nfs/dbraw/zinc/64/10/12/901641012.db2.gz RGASNZSQQNZGPB-WDEREUQCSA-N 2 1 270.377 -0.689 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](C)[NH2+]CCO)CC2 ZINC001399026239 901652064 /nfs/dbraw/zinc/65/20/64/901652064.db2.gz HIZFAWOJTTXKNS-ZYHUDNBSSA-N 2 1 280.372 -0.159 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1cn(C)nn1 ZINC001399025947 901652875 /nfs/dbraw/zinc/65/28/75/901652875.db2.gz IMBQFQJAOHWNMH-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001399077275 901658783 /nfs/dbraw/zinc/65/87/83/901658783.db2.gz CFXSBBCWNNYYIA-SNVBAGLBSA-N 2 1 281.360 -0.449 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001399098200 901664414 /nfs/dbraw/zinc/66/44/14/901664414.db2.gz MCPCQPLZKBIEPR-WDEREUQCSA-N 2 1 297.407 -0.293 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001399098200 901664420 /nfs/dbraw/zinc/66/44/20/901664420.db2.gz MCPCQPLZKBIEPR-WDEREUQCSA-N 2 1 297.407 -0.293 20 0 CBADMP CCn1nncc1C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399108866 901665018 /nfs/dbraw/zinc/66/50/18/901665018.db2.gz KHHCWLQMZHKZIO-NEPJUHHUSA-N 2 1 294.403 -0.156 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001399107314 901665196 /nfs/dbraw/zinc/66/51/96/901665196.db2.gz JJCRQAFBRHKWHA-NSHDSACASA-N 2 1 293.371 -0.482 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ncnn1C ZINC001399125641 901670564 /nfs/dbraw/zinc/67/05/64/901670564.db2.gz UXJCFMVNUCQKKB-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP Cc1nonc1C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399127073 901673223 /nfs/dbraw/zinc/67/32/23/901673223.db2.gz WAWGRMGWGZRTLL-KOLCDFICSA-N 2 1 281.360 -0.076 20 0 CBADMP Cc1nonc1C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399127073 901673229 /nfs/dbraw/zinc/67/32/29/901673229.db2.gz WAWGRMGWGZRTLL-KOLCDFICSA-N 2 1 281.360 -0.076 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001399177156 901681290 /nfs/dbraw/zinc/68/12/90/901681290.db2.gz VSJCTMDQYOYPMV-QWRGUYRKSA-N 2 1 270.377 -0.691 20 0 CBADMP C[N@H+](CCCO)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001399296599 901691967 /nfs/dbraw/zinc/69/19/67/901691967.db2.gz LFJIMOZLFVKNLF-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@@H+](CCCO)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001399296599 901691972 /nfs/dbraw/zinc/69/19/72/901691972.db2.gz LFJIMOZLFVKNLF-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCCO)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001399296599 901691977 /nfs/dbraw/zinc/69/19/77/901691977.db2.gz LFJIMOZLFVKNLF-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCCO)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001399296599 901691981 /nfs/dbraw/zinc/69/19/81/901691981.db2.gz LFJIMOZLFVKNLF-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001399286764 901692227 /nfs/dbraw/zinc/69/22/27/901692227.db2.gz ISAOCJXEDDMIHL-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001399338524 901702847 /nfs/dbraw/zinc/70/28/47/901702847.db2.gz GTJYYMYQIOLGDJ-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001399416346 901713327 /nfs/dbraw/zinc/71/33/27/901713327.db2.gz OJJRTKKHPFPIOX-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)[C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001399490779 901735341 /nfs/dbraw/zinc/73/53/41/901735341.db2.gz XHOLYCQVQBNEJI-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)[C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001399490779 901735350 /nfs/dbraw/zinc/73/53/50/901735350.db2.gz XHOLYCQVQBNEJI-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)[C@@H]2CCN(C)C2=O)CC[NH+]1C ZINC001399490779 901735360 /nfs/dbraw/zinc/73/53/60/901735360.db2.gz XHOLYCQVQBNEJI-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)[C@@H]2CCN(C)C2=O)CC[NH+]1C ZINC001399490779 901735371 /nfs/dbraw/zinc/73/53/71/901735371.db2.gz XHOLYCQVQBNEJI-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP CN(CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)CC[NH+](C)C ZINC001399670654 901771024 /nfs/dbraw/zinc/77/10/24/901771024.db2.gz MAPDDXJGRBMIRE-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CC(=O)NC ZINC001399762027 901793082 /nfs/dbraw/zinc/79/30/82/901793082.db2.gz IKXKMSPLKRUQFV-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CC(=O)NC ZINC001399762027 901793091 /nfs/dbraw/zinc/79/30/91/901793091.db2.gz IKXKMSPLKRUQFV-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)CC(=O)NC ZINC001399762027 901793102 /nfs/dbraw/zinc/79/31/02/901793102.db2.gz IKXKMSPLKRUQFV-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)CC(=O)NC ZINC001399762027 901793112 /nfs/dbraw/zinc/79/31/12/901793112.db2.gz IKXKMSPLKRUQFV-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](CC)CC(=O)NC)[NH+](C)C ZINC001399812322 901809962 /nfs/dbraw/zinc/80/99/62/901809962.db2.gz SVONXZLVPGDEJS-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](CC)CC(=O)NC)[NH+](C)C ZINC001399812322 901809970 /nfs/dbraw/zinc/80/99/70/901809970.db2.gz SVONXZLVPGDEJS-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001399876345 901819826 /nfs/dbraw/zinc/81/98/26/901819826.db2.gz YEJIDWCRYVRXFY-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001399876345 901819838 /nfs/dbraw/zinc/81/98/38/901819838.db2.gz YEJIDWCRYVRXFY-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001399869553 901822203 /nfs/dbraw/zinc/82/22/03/901822203.db2.gz LAHZMZZLFSKXGT-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001399869553 901822212 /nfs/dbraw/zinc/82/22/12/901822212.db2.gz LAHZMZZLFSKXGT-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001399869553 901822222 /nfs/dbraw/zinc/82/22/22/901822222.db2.gz LAHZMZZLFSKXGT-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001399869553 901822229 /nfs/dbraw/zinc/82/22/29/901822229.db2.gz LAHZMZZLFSKXGT-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)CN1CCC[C@@H]1CNC(=O)CN1CCCC1 ZINC001399889172 901824918 /nfs/dbraw/zinc/82/49/18/901824918.db2.gz CURVUGAANQEDPF-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001399955163 901843396 /nfs/dbraw/zinc/84/33/96/901843396.db2.gz RXEDVQPKAZGPHA-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001399955163 901843403 /nfs/dbraw/zinc/84/34/03/901843403.db2.gz RXEDVQPKAZGPHA-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001399955163 901843414 /nfs/dbraw/zinc/84/34/14/901843414.db2.gz RXEDVQPKAZGPHA-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@H]2CCCNC2=O)CC[N@H+]1C ZINC001400053514 901865846 /nfs/dbraw/zinc/86/58/46/901865846.db2.gz NUHYYAPYPGCWPA-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001400227070 901899049 /nfs/dbraw/zinc/89/90/49/901899049.db2.gz PSEHCUXDEBTQFG-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001400229759 901901065 /nfs/dbraw/zinc/90/10/65/901901065.db2.gz WJBYHORUBSVHDC-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001400659736 901989483 /nfs/dbraw/zinc/98/94/83/901989483.db2.gz BHXCBUMBVUMLIY-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001400659736 901989495 /nfs/dbraw/zinc/98/94/95/901989495.db2.gz BHXCBUMBVUMLIY-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001400760217 902008737 /nfs/dbraw/zinc/00/87/37/902008737.db2.gz YELSTNKPPZTPLS-GFCCVEGCSA-N 2 1 296.415 -0.441 20 0 CBADMP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001400774778 902012606 /nfs/dbraw/zinc/01/26/06/902012606.db2.gz VRRGXUYDLYYCKT-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001400774778 902012620 /nfs/dbraw/zinc/01/26/20/902012620.db2.gz VRRGXUYDLYYCKT-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001400774778 902012630 /nfs/dbraw/zinc/01/26/30/902012630.db2.gz VRRGXUYDLYYCKT-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001400774778 902012647 /nfs/dbraw/zinc/01/26/47/902012647.db2.gz VRRGXUYDLYYCKT-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001400975437 902040541 /nfs/dbraw/zinc/04/05/41/902040541.db2.gz VLQNCHZWEAASDJ-UHFFFAOYSA-N 2 1 293.371 -0.305 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001401052837 902046093 /nfs/dbraw/zinc/04/60/93/902046093.db2.gz OOTKYBLTRWPGQC-HAQNSBGRSA-N 2 1 284.404 -0.170 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC(N)=O)CC1 ZINC001401072169 902046972 /nfs/dbraw/zinc/04/69/72/902046972.db2.gz KHKSIOLXCRLZLP-ZDUSSCGKSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1 ZINC001401190851 902077270 /nfs/dbraw/zinc/07/72/70/902077270.db2.gz ZKSHUJKNLILQEY-LLVKDONJSA-N 2 1 282.388 -0.558 20 0 CBADMP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001401226073 902086012 /nfs/dbraw/zinc/08/60/12/902086012.db2.gz RWRCYWYRLMIKHA-CMPLNLGQSA-N 2 1 295.387 -0.108 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001401392754 902118612 /nfs/dbraw/zinc/11/86/12/902118612.db2.gz XTCLWAJELQXWBR-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001401392754 902118619 /nfs/dbraw/zinc/11/86/19/902118619.db2.gz XTCLWAJELQXWBR-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401437964 902125206 /nfs/dbraw/zinc/12/52/06/902125206.db2.gz XJLMGBQMHPWDGS-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401437964 902125215 /nfs/dbraw/zinc/12/52/15/902125215.db2.gz XJLMGBQMHPWDGS-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cscn1 ZINC001401513491 902152432 /nfs/dbraw/zinc/15/24/32/902152432.db2.gz YNJCOWHNJSZQTK-VXGBXAGGSA-N 2 1 298.412 -0.196 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cscn1 ZINC001401513491 902152439 /nfs/dbraw/zinc/15/24/39/902152439.db2.gz YNJCOWHNJSZQTK-VXGBXAGGSA-N 2 1 298.412 -0.196 20 0 CBADMP Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)[nH]1 ZINC001401562118 902169135 /nfs/dbraw/zinc/16/91/35/902169135.db2.gz SZQMRRVJIDEJKK-MWLCHTKSSA-N 2 1 298.391 -0.807 20 0 CBADMP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001401616524 902191069 /nfs/dbraw/zinc/19/10/69/902191069.db2.gz CZTMLZPZMRNPPC-NQBHXWOUSA-N 2 1 294.403 -0.250 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001401668629 902217719 /nfs/dbraw/zinc/21/77/19/902217719.db2.gz MTRRVZVPOGIZFR-GFCCVEGCSA-N 2 1 294.403 -0.012 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001401688836 902230004 /nfs/dbraw/zinc/23/00/04/902230004.db2.gz YCNJSZBHLHBIDM-AAEUAGOBSA-N 2 1 296.419 -0.004 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001401689916 902232037 /nfs/dbraw/zinc/23/20/37/902232037.db2.gz JMMNLDOPVAGQQV-JTQLQIEISA-N 2 1 281.360 -0.626 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401718895 902246183 /nfs/dbraw/zinc/24/61/83/902246183.db2.gz CDWRNIAYBKHYQL-NWDGAFQWSA-N 2 1 284.404 -0.443 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401771240 902266035 /nfs/dbraw/zinc/26/60/35/902266035.db2.gz KCULVKUYWUZLNN-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401771240 902266022 /nfs/dbraw/zinc/26/60/22/902266022.db2.gz KCULVKUYWUZLNN-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001401775584 902268761 /nfs/dbraw/zinc/26/87/61/902268761.db2.gz DBQHMZIBUGDNLG-CMPLNLGQSA-N 2 1 272.393 -0.506 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001401775584 902268776 /nfs/dbraw/zinc/26/87/76/902268776.db2.gz DBQHMZIBUGDNLG-CMPLNLGQSA-N 2 1 272.393 -0.506 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001401785906 902269733 /nfs/dbraw/zinc/26/97/33/902269733.db2.gz YZCAOPMJUGSJSM-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001401785906 902269747 /nfs/dbraw/zinc/26/97/47/902269747.db2.gz YZCAOPMJUGSJSM-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001401785906 902269759 /nfs/dbraw/zinc/26/97/59/902269759.db2.gz YZCAOPMJUGSJSM-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001401785906 902269769 /nfs/dbraw/zinc/26/97/69/902269769.db2.gz YZCAOPMJUGSJSM-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001401786209 902273783 /nfs/dbraw/zinc/27/37/83/902273783.db2.gz OCMXCGYLDFNILL-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001401786209 902273790 /nfs/dbraw/zinc/27/37/90/902273790.db2.gz OCMXCGYLDFNILL-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP COC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001401934708 902312728 /nfs/dbraw/zinc/31/27/28/902312728.db2.gz HHHMGAAIEGTABR-RYUDHWBXSA-N 2 1 285.388 -0.410 20 0 CBADMP COC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001401934708 902312738 /nfs/dbraw/zinc/31/27/38/902312738.db2.gz HHHMGAAIEGTABR-RYUDHWBXSA-N 2 1 285.388 -0.410 20 0 CBADMP CCNC(=O)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001401967878 902328401 /nfs/dbraw/zinc/32/84/01/902328401.db2.gz ULNPYCGPMKYVTH-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001401975399 902330630 /nfs/dbraw/zinc/33/06/30/902330630.db2.gz HIGDPPYEDQKNEX-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001401983889 902332958 /nfs/dbraw/zinc/33/29/58/902332958.db2.gz CWVSDMKKPKIZRG-UHFFFAOYSA-N 2 1 270.377 -0.689 20 0 CBADMP C[NH+](C)CC1(C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)CC1 ZINC001402083460 902349556 /nfs/dbraw/zinc/34/95/56/902349556.db2.gz SQKHNRKCBSLDJI-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001402086127 902353267 /nfs/dbraw/zinc/35/32/67/902353267.db2.gz ZTWCPFANHGCVOQ-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001402167480 902373645 /nfs/dbraw/zinc/37/36/45/902373645.db2.gz FMRFWVNAWNWFSM-AWEZNQCLSA-N 2 1 284.404 -0.358 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(C)CCC[NH+](CC(N)=O)C2)C1 ZINC001402215204 902383742 /nfs/dbraw/zinc/38/37/42/902383742.db2.gz ACWJCHHAQCRTRM-SWLSCSKDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@]2(C)CCC[NH+](CC(N)=O)C2)C1 ZINC001402215204 902383757 /nfs/dbraw/zinc/38/37/57/902383757.db2.gz ACWJCHHAQCRTRM-SWLSCSKDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(C)CCC[N@H+](CC(N)=O)C2)C1 ZINC001402215204 902383769 /nfs/dbraw/zinc/38/37/69/902383769.db2.gz ACWJCHHAQCRTRM-SWLSCSKDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(C)CCC[N@@H+](CC(N)=O)C2)C1 ZINC001402215204 902383782 /nfs/dbraw/zinc/38/37/82/902383782.db2.gz ACWJCHHAQCRTRM-SWLSCSKDSA-N 2 1 296.415 -0.358 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402225888 902387424 /nfs/dbraw/zinc/38/74/24/902387424.db2.gz HFRHDPQTKWMJLZ-OLZOCXBDSA-N 2 1 297.399 -0.720 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NC[C@H]([NH2+]CCO)C2CC2)no1 ZINC001402304145 902415302 /nfs/dbraw/zinc/41/53/02/902415302.db2.gz FUVFZQZKKSNCIP-ZDUSSCGKSA-N 2 1 296.371 -0.174 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC)C2)CC[N@H+]1C ZINC001402439269 902453074 /nfs/dbraw/zinc/45/30/74/902453074.db2.gz SNGWXAYFFAHZQN-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001402453754 902454408 /nfs/dbraw/zinc/45/44/08/902454408.db2.gz INACXBONUSBTGP-CQSZACIVSA-N 2 1 296.371 -0.873 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001402453754 902454419 /nfs/dbraw/zinc/45/44/19/902454419.db2.gz INACXBONUSBTGP-CQSZACIVSA-N 2 1 296.371 -0.873 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001402462038 902455059 /nfs/dbraw/zinc/45/50/59/902455059.db2.gz LGZRZPQSMNEQMK-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001402470608 902460820 /nfs/dbraw/zinc/46/08/20/902460820.db2.gz LTBNKWWLXZSEJF-OAHLLOKOSA-N 2 1 299.415 -0.328 20 0 CBADMP CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001402470608 902460832 /nfs/dbraw/zinc/46/08/32/902460832.db2.gz LTBNKWWLXZSEJF-OAHLLOKOSA-N 2 1 299.415 -0.328 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001402592624 902487247 /nfs/dbraw/zinc/48/72/47/902487247.db2.gz NJZHPJNLBKGFBU-SDDRHHMPSA-N 2 1 293.371 -0.437 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001402628364 902493717 /nfs/dbraw/zinc/49/37/17/902493717.db2.gz DHALUOIPCHKILP-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001402628364 902493725 /nfs/dbraw/zinc/49/37/25/902493725.db2.gz DHALUOIPCHKILP-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001402628364 902493736 /nfs/dbraw/zinc/49/37/36/902493736.db2.gz DHALUOIPCHKILP-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001402681874 902503257 /nfs/dbraw/zinc/50/32/57/902503257.db2.gz LHQXJZLLZJJIFD-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001402783092 902519779 /nfs/dbraw/zinc/51/97/79/902519779.db2.gz OFJBWOZUGUMFLW-UHFFFAOYSA-N 2 1 298.431 -0.851 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001402792310 902522442 /nfs/dbraw/zinc/52/24/42/902522442.db2.gz RIHCKMZBDRDZKM-PWSUYJOCSA-N 2 1 293.371 -0.626 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001402843396 902536023 /nfs/dbraw/zinc/53/60/23/902536023.db2.gz HYLBJSBFRKFIEP-CMPLNLGQSA-N 2 1 293.371 -0.436 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001402858178 902542758 /nfs/dbraw/zinc/54/27/58/902542758.db2.gz CJQRZLFMSGQUIE-NWDGAFQWSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001403054654 902602499 /nfs/dbraw/zinc/60/24/99/902602499.db2.gz TUDRAIZSDXKILM-NEPJUHHUSA-N 2 1 294.403 -0.106 20 0 CBADMP CO[C@H](C)C[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001403072595 902608841 /nfs/dbraw/zinc/60/88/41/902608841.db2.gz OVBJZCUJKCPVIF-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1nncn1C ZINC001403078413 902609934 /nfs/dbraw/zinc/60/99/34/902609934.db2.gz FSIOMKCQMUWQLZ-LLVKDONJSA-N 2 1 292.387 -0.495 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001403107070 902617144 /nfs/dbraw/zinc/61/71/44/902617144.db2.gz RXUIPCMPECKQNZ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001403145718 902628010 /nfs/dbraw/zinc/62/80/10/902628010.db2.gz UWNQTCYEPRJWDK-ONGXEEELSA-N 2 1 280.376 -0.341 20 0 CBADMP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001403145718 902628015 /nfs/dbraw/zinc/62/80/15/902628015.db2.gz UWNQTCYEPRJWDK-ONGXEEELSA-N 2 1 280.376 -0.341 20 0 CBADMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)[C@@H](C)C(N)=O ZINC001403189176 902643972 /nfs/dbraw/zinc/64/39/72/902643972.db2.gz VYFYGLHEXFEYDR-MNOVXSKESA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)[C@@H](C)C(N)=O ZINC001403189176 902643976 /nfs/dbraw/zinc/64/39/76/902643976.db2.gz VYFYGLHEXFEYDR-MNOVXSKESA-N 2 1 282.388 -0.608 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001403215524 902651796 /nfs/dbraw/zinc/65/17/96/902651796.db2.gz WYBMGMVATHKVLD-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H](C)C(N)=O ZINC001403230384 902656712 /nfs/dbraw/zinc/65/67/12/902656712.db2.gz PJPSMGJAFZPDEV-GHMZBOCLSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H](C)C(N)=O ZINC001403230384 902656719 /nfs/dbraw/zinc/65/67/19/902656719.db2.gz PJPSMGJAFZPDEV-GHMZBOCLSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001403230384 902656723 /nfs/dbraw/zinc/65/67/23/902656723.db2.gz PJPSMGJAFZPDEV-GHMZBOCLSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001403230384 902656731 /nfs/dbraw/zinc/65/67/31/902656731.db2.gz PJPSMGJAFZPDEV-GHMZBOCLSA-N 2 1 272.393 -0.363 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001403240881 902659406 /nfs/dbraw/zinc/65/94/06/902659406.db2.gz FSVWAWFDQVLBFL-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001403330517 902668002 /nfs/dbraw/zinc/66/80/02/902668002.db2.gz UAZHGDQXCBJVIY-ZYHUDNBSSA-N 2 1 284.404 -0.362 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC001403339883 902671052 /nfs/dbraw/zinc/67/10/52/902671052.db2.gz AAZBRPXTLGKBDY-OAHLLOKOSA-N 2 1 299.415 -0.376 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC001403339883 902671056 /nfs/dbraw/zinc/67/10/56/902671056.db2.gz AAZBRPXTLGKBDY-OAHLLOKOSA-N 2 1 299.415 -0.376 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(C1)C[NH+](CCO)CCO2 ZINC001403351833 902676056 /nfs/dbraw/zinc/67/60/56/902676056.db2.gz AZHNRXDBHRRBPV-HNNXBMFYSA-N 2 1 299.415 -0.378 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@]2(C1)C[NH+](CCO)CCO2 ZINC001403351833 902676063 /nfs/dbraw/zinc/67/60/63/902676063.db2.gz AZHNRXDBHRRBPV-HNNXBMFYSA-N 2 1 299.415 -0.378 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC001403351833 902676070 /nfs/dbraw/zinc/67/60/70/902676070.db2.gz AZHNRXDBHRRBPV-HNNXBMFYSA-N 2 1 299.415 -0.378 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC001403351833 902676078 /nfs/dbraw/zinc/67/60/78/902676078.db2.gz AZHNRXDBHRRBPV-HNNXBMFYSA-N 2 1 299.415 -0.378 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC001403347759 902676426 /nfs/dbraw/zinc/67/64/26/902676426.db2.gz GVRPPZXWKZTQMK-RYUDHWBXSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC001403347759 902676434 /nfs/dbraw/zinc/67/64/34/902676434.db2.gz GVRPPZXWKZTQMK-RYUDHWBXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001403407402 902683762 /nfs/dbraw/zinc/68/37/62/902683762.db2.gz IRFQMAPSSYGZIT-CYDGBPFRSA-N 2 1 296.415 -0.171 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001458410838 914648850 /nfs/dbraw/zinc/64/88/50/914648850.db2.gz GNFPERJIAMVVAE-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001403469814 902695698 /nfs/dbraw/zinc/69/56/98/902695698.db2.gz QLUQIIDRDGKGCO-ZJUUUORDSA-N 2 1 281.360 -0.450 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001403458267 902695885 /nfs/dbraw/zinc/69/58/85/902695885.db2.gz FBVDNRWEPVHOEP-JHJVBQTASA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001458410836 914649781 /nfs/dbraw/zinc/64/97/81/914649781.db2.gz GNFPERJIAMVVAE-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001403532544 902715949 /nfs/dbraw/zinc/71/59/49/902715949.db2.gz URXBBJWIDPNTRE-WCQYABFASA-N 2 1 294.403 -0.154 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001403578520 902736968 /nfs/dbraw/zinc/73/69/68/902736968.db2.gz SVUBVPVCUXMCRC-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)N(C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001403578520 902736955 /nfs/dbraw/zinc/73/69/55/902736955.db2.gz SVUBVPVCUXMCRC-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001403578520 902736973 /nfs/dbraw/zinc/73/69/73/902736973.db2.gz SVUBVPVCUXMCRC-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001403578520 902736979 /nfs/dbraw/zinc/73/69/79/902736979.db2.gz SVUBVPVCUXMCRC-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)CN(C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001403576437 902740119 /nfs/dbraw/zinc/74/01/19/902740119.db2.gz LYXKABYJZIQNJF-UHFFFAOYSA-N 2 1 270.377 -0.735 20 0 CBADMP C[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001403595584 902742279 /nfs/dbraw/zinc/74/22/79/902742279.db2.gz UCNHRCCESRFLKR-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001403595584 902742292 /nfs/dbraw/zinc/74/22/92/902742292.db2.gz UCNHRCCESRFLKR-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[C@H]1CCNC1=O ZINC001403595584 902742301 /nfs/dbraw/zinc/74/23/01/902742301.db2.gz UCNHRCCESRFLKR-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)CC[C@H]1CCC[N@H+]1C)[C@H]1CCNC1=O ZINC001403595584 902742316 /nfs/dbraw/zinc/74/23/16/902742316.db2.gz UCNHRCCESRFLKR-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001403644717 902769524 /nfs/dbraw/zinc/76/95/24/902769524.db2.gz WBODXYPLKBFSCB-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001403644717 902769537 /nfs/dbraw/zinc/76/95/37/902769537.db2.gz WBODXYPLKBFSCB-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001403644717 902769545 /nfs/dbraw/zinc/76/95/45/902769545.db2.gz WBODXYPLKBFSCB-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001403644717 902769555 /nfs/dbraw/zinc/76/95/55/902769555.db2.gz WBODXYPLKBFSCB-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001403747182 902832012 /nfs/dbraw/zinc/83/20/12/902832012.db2.gz NUTNJDHFPGDLGG-CYBMUJFWSA-N 2 1 296.371 -0.354 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C[C@@H]2CCOC2)C1 ZINC001403784730 902848520 /nfs/dbraw/zinc/84/85/20/902848520.db2.gz LPONUSOIBQYMAB-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C[C@@H]2CCOC2)C1 ZINC001403784730 902848529 /nfs/dbraw/zinc/84/85/29/902848529.db2.gz LPONUSOIBQYMAB-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)C[C@@H]2CCOC2)C1 ZINC001403784730 902848540 /nfs/dbraw/zinc/84/85/40/902848540.db2.gz LPONUSOIBQYMAB-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)C[C@@H]2CCOC2)C1 ZINC001403784730 902848554 /nfs/dbraw/zinc/84/85/54/902848554.db2.gz LPONUSOIBQYMAB-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001403817313 902857022 /nfs/dbraw/zinc/85/70/22/902857022.db2.gz PCDDSSROJGXBCP-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001403822496 902860082 /nfs/dbraw/zinc/86/00/82/902860082.db2.gz FXAWTWALFRHUDL-CHWSQXEVSA-N 2 1 287.404 -0.618 20 0 CBADMP CC(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001403822496 902860095 /nfs/dbraw/zinc/86/00/95/902860095.db2.gz FXAWTWALFRHUDL-CHWSQXEVSA-N 2 1 287.404 -0.618 20 0 CBADMP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001403868033 902880783 /nfs/dbraw/zinc/88/07/83/902880783.db2.gz KLQNEPVXYFNZJD-ZDUSSCGKSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001403868025 902882380 /nfs/dbraw/zinc/88/23/80/902882380.db2.gz KLQNEPVXYFNZJD-CYBMUJFWSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCCNC1=O ZINC001403938340 902911477 /nfs/dbraw/zinc/91/14/77/902911477.db2.gz GVWPXYZVMYHSLH-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001403993870 902922768 /nfs/dbraw/zinc/92/27/68/902922768.db2.gz VUROWZOXVYONIN-NEPJUHHUSA-N 2 1 298.431 -0.066 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001404004267 902925041 /nfs/dbraw/zinc/92/50/41/902925041.db2.gz KPAGODZNURUSFH-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC001404021045 902925648 /nfs/dbraw/zinc/92/56/48/902925648.db2.gz SCHZDQLOVJPDPW-UHFFFAOYSA-N 2 1 294.403 -0.154 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCCC[NH+]1C ZINC001404039617 902929794 /nfs/dbraw/zinc/92/97/94/902929794.db2.gz XJXJOSGOFLPWTG-OLZOCXBDSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001404039617 902929800 /nfs/dbraw/zinc/92/98/00/902929800.db2.gz XJXJOSGOFLPWTG-OLZOCXBDSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001404039617 902929807 /nfs/dbraw/zinc/92/98/07/902929807.db2.gz XJXJOSGOFLPWTG-OLZOCXBDSA-N 2 1 287.404 -0.786 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@H]1CCNC1=O ZINC001404029238 902930152 /nfs/dbraw/zinc/93/01/52/902930152.db2.gz WUMIZWAYWBLWRJ-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@H]1CCNC1=O ZINC001404029238 902930161 /nfs/dbraw/zinc/93/01/61/902930161.db2.gz WUMIZWAYWBLWRJ-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001404029238 902930167 /nfs/dbraw/zinc/93/01/67/902930167.db2.gz WUMIZWAYWBLWRJ-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001404029238 902930173 /nfs/dbraw/zinc/93/01/73/902930173.db2.gz WUMIZWAYWBLWRJ-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCCC[NH+]1C ZINC001404039620 902930462 /nfs/dbraw/zinc/93/04/62/902930462.db2.gz XJXJOSGOFLPWTG-STQMWFEESA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001404039620 902930472 /nfs/dbraw/zinc/93/04/72/902930472.db2.gz XJXJOSGOFLPWTG-STQMWFEESA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001404039620 902930484 /nfs/dbraw/zinc/93/04/84/902930484.db2.gz XJXJOSGOFLPWTG-STQMWFEESA-N 2 1 287.404 -0.786 20 0 CBADMP C[NH+]1CCC(OCC(=O)NCC[N@@H+](CCO)C2CC2)CC1 ZINC001404261827 902961346 /nfs/dbraw/zinc/96/13/46/902961346.db2.gz FSORAHYOARMKRY-UHFFFAOYSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O ZINC001404312829 902971006 /nfs/dbraw/zinc/97/10/06/902971006.db2.gz ACPUTLXKKOZNJU-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001458796914 914677660 /nfs/dbraw/zinc/67/76/60/914677660.db2.gz NKQMWVGXNXOSFA-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001404997852 903070590 /nfs/dbraw/zinc/07/05/90/903070590.db2.gz PUMNDZKOPGAEIM-FRRDWIJNSA-N 2 1 298.431 -0.006 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001404997852 903070600 /nfs/dbraw/zinc/07/06/00/903070600.db2.gz PUMNDZKOPGAEIM-FRRDWIJNSA-N 2 1 298.431 -0.006 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001405069548 903077620 /nfs/dbraw/zinc/07/76/20/903077620.db2.gz RNKYWSPMZMLAPU-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001405069548 903077632 /nfs/dbraw/zinc/07/76/32/903077632.db2.gz RNKYWSPMZMLAPU-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001405069548 903077646 /nfs/dbraw/zinc/07/76/46/903077646.db2.gz RNKYWSPMZMLAPU-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001405069550 903081152 /nfs/dbraw/zinc/08/11/52/903081152.db2.gz RNKYWSPMZMLAPU-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001405069550 903081162 /nfs/dbraw/zinc/08/11/62/903081162.db2.gz RNKYWSPMZMLAPU-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001405069550 903081174 /nfs/dbraw/zinc/08/11/74/903081174.db2.gz RNKYWSPMZMLAPU-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001405124371 903089112 /nfs/dbraw/zinc/08/91/12/903089112.db2.gz NTAKJWXYOCPOJT-AAEUAGOBSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001405124371 903089127 /nfs/dbraw/zinc/08/91/27/903089127.db2.gz NTAKJWXYOCPOJT-AAEUAGOBSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001405124371 903089141 /nfs/dbraw/zinc/08/91/41/903089141.db2.gz NTAKJWXYOCPOJT-AAEUAGOBSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001405124371 903089156 /nfs/dbraw/zinc/08/91/56/903089156.db2.gz NTAKJWXYOCPOJT-AAEUAGOBSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001405133743 903089726 /nfs/dbraw/zinc/08/97/26/903089726.db2.gz PNQFRWFHDFWQPJ-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001405133743 903089736 /nfs/dbraw/zinc/08/97/36/903089736.db2.gz PNQFRWFHDFWQPJ-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001405625929 903190934 /nfs/dbraw/zinc/19/09/34/903190934.db2.gz HQTXIINDMOJRGS-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001405717569 903208581 /nfs/dbraw/zinc/20/85/81/903208581.db2.gz LFGBILWEXPMIAZ-VXGBXAGGSA-N 2 1 284.404 -0.443 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001405742164 903212197 /nfs/dbraw/zinc/21/21/97/903212197.db2.gz QOQDNJYCTRSYPX-JQWIXIFHSA-N 2 1 293.371 -0.578 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001405831822 903233485 /nfs/dbraw/zinc/23/34/85/903233485.db2.gz HEOSUKFJQMGRAT-AAEUAGOBSA-N 2 1 298.387 -0.365 20 0 CBADMP C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001405849939 903239117 /nfs/dbraw/zinc/23/91/17/903239117.db2.gz OZIYIXPGCSIZEV-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001405891521 903246723 /nfs/dbraw/zinc/24/67/23/903246723.db2.gz MZIDPPSZDDDFER-PWSUYJOCSA-N 2 1 293.371 -0.483 20 0 CBADMP Cc1nnc(CNC[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001406197768 903293153 /nfs/dbraw/zinc/29/31/53/903293153.db2.gz AINKUDFKAVVQPC-QWRGUYRKSA-N 2 1 297.359 -0.961 20 0 CBADMP Cc1nnc(CNC[C@H](O)CNC(=O)[C@@H]2CCCN2C)o1 ZINC001406197768 903293165 /nfs/dbraw/zinc/29/31/65/903293165.db2.gz AINKUDFKAVVQPC-QWRGUYRKSA-N 2 1 297.359 -0.961 20 0 CBADMP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)on1 ZINC001406281746 903339748 /nfs/dbraw/zinc/33/97/48/903339748.db2.gz HWYGPMDGYBMLRQ-NWDGAFQWSA-N 2 1 296.371 -0.499 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CCC[NH+](C)C ZINC001406382433 903382965 /nfs/dbraw/zinc/38/29/65/903382965.db2.gz APDFVSBSCFBIHH-SNVBAGLBSA-N 2 1 283.380 -0.854 20 0 CBADMP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001406418892 903396497 /nfs/dbraw/zinc/39/64/97/903396497.db2.gz DGCQZYQNMGGYFT-DGCLKSJQSA-N 2 1 296.419 -0.004 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C1([NH+](C)C)CCC1 ZINC001406484863 903415620 /nfs/dbraw/zinc/41/56/20/903415620.db2.gz XJSOUHPBFHSAKI-JTQLQIEISA-N 2 1 295.391 -0.711 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001406516191 903423133 /nfs/dbraw/zinc/42/31/33/903423133.db2.gz CXGSEKAWQRPBID-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[NH+]1CCCC1 ZINC001406557218 903430664 /nfs/dbraw/zinc/43/06/64/903430664.db2.gz IIQXTLQDWKROJF-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406561981 903435444 /nfs/dbraw/zinc/43/54/44/903435444.db2.gz ONBFDWOBWLBZIF-WCQYABFASA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@H](C[N@H+](C)CCCO)NC(=O)CC[NH+]1CCOCC1 ZINC001406669076 903460887 /nfs/dbraw/zinc/46/08/87/903460887.db2.gz LANLIKGZIGWGDI-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@H](C[N@@H+](C)CCCO)NC(=O)CC[NH+]1CCOCC1 ZINC001406669076 903460894 /nfs/dbraw/zinc/46/08/94/903460894.db2.gz LANLIKGZIGWGDI-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001406960892 903517490 /nfs/dbraw/zinc/51/74/90/903517490.db2.gz QTXJIUXQZFKOOP-RYUDHWBXSA-N 2 1 294.399 -0.545 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1)C(N)=O ZINC001406957672 903518744 /nfs/dbraw/zinc/51/87/44/903518744.db2.gz KZVFGDQCDMRJCZ-QWRGUYRKSA-N 2 1 282.388 -0.560 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001407116226 903546396 /nfs/dbraw/zinc/54/63/96/903546396.db2.gz MMVCVZVYFCKCLW-IJLUTSLNSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[C@H](C(=O)NC1(C)CC[NH+](CC(N)=O)CC1)[NH+](C)C ZINC001407121539 903547456 /nfs/dbraw/zinc/54/74/56/903547456.db2.gz YIVLNTAUBKUDJT-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@]1(C)CC[N@H+](CCO)C1 ZINC001407172036 903551195 /nfs/dbraw/zinc/55/11/95/903551195.db2.gz CRXNLYBTWJHARS-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001407172036 903551206 /nfs/dbraw/zinc/55/12/06/903551206.db2.gz CRXNLYBTWJHARS-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@]1(C)CC[N@H+](CCO)C1 ZINC001407172003 903551350 /nfs/dbraw/zinc/55/13/50/903551350.db2.gz CRXNLYBTWJHARS-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001407172003 903551365 /nfs/dbraw/zinc/55/13/65/903551365.db2.gz CRXNLYBTWJHARS-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP O=C(NC[C@@]1(O)CC[N@@H+](CCCF)C1)C12CC[NH+](CC1)C2 ZINC001407374291 903584944 /nfs/dbraw/zinc/58/49/44/903584944.db2.gz QMUJISKYKFFPNG-HNNXBMFYSA-N 2 1 299.390 -0.005 20 0 CBADMP CO[C@H](C)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001407378653 903586628 /nfs/dbraw/zinc/58/66/28/903586628.db2.gz DLWHLSILLBJXFN-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)[NH+](C)C ZINC001407393047 903592169 /nfs/dbraw/zinc/59/21/69/903592169.db2.gz RSASDRVJVZIADP-GXTWGEPZSA-N 2 1 287.404 -0.882 20 0 CBADMP C[NH+](C)CCC(=O)NCC1(O)C[NH+](C[C@H]2CCCOC2)C1 ZINC001407481171 903619213 /nfs/dbraw/zinc/61/92/13/903619213.db2.gz BADYCWLPOHWPFE-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001407537646 903625926 /nfs/dbraw/zinc/62/59/26/903625926.db2.gz HLXGWOSFHYKTNG-RYUDHWBXSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001407534881 903625968 /nfs/dbraw/zinc/62/59/68/903625968.db2.gz IMQMZHWPLPELDX-NWDGAFQWSA-N 2 1 284.404 -0.502 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(CO)CCC[NH+](CCCO)C1 ZINC001407618717 903634490 /nfs/dbraw/zinc/63/44/90/903634490.db2.gz LQCVDNPHTYQFCC-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(CO)CCC[NH+](CCCO)C1 ZINC001407618717 903634496 /nfs/dbraw/zinc/63/44/96/903634496.db2.gz LQCVDNPHTYQFCC-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@]1(CO)CCC[N@H+](CCCO)C1 ZINC001407618717 903634504 /nfs/dbraw/zinc/63/45/04/903634504.db2.gz LQCVDNPHTYQFCC-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001407618717 903634511 /nfs/dbraw/zinc/63/45/11/903634511.db2.gz LQCVDNPHTYQFCC-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H]1CCOC1 ZINC001407767084 903656492 /nfs/dbraw/zinc/65/64/92/903656492.db2.gz YQZOYFVKINZUEA-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H]1CCOC1 ZINC001407767084 903656499 /nfs/dbraw/zinc/65/64/99/903656499.db2.gz YQZOYFVKINZUEA-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001408183714 903728475 /nfs/dbraw/zinc/72/84/75/903728475.db2.gz FNPYJYZCQDBTFA-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+][C@@H]1CCNC1=O ZINC001408220749 903730588 /nfs/dbraw/zinc/73/05/88/903730588.db2.gz NEXCIQAECCSUMX-QJPTWQEYSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001408334977 903752884 /nfs/dbraw/zinc/75/28/84/903752884.db2.gz HQGIDCFVCDPGJG-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001408334977 903752899 /nfs/dbraw/zinc/75/28/99/903752899.db2.gz HQGIDCFVCDPGJG-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](C(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1)[NH+](C)C ZINC001409070750 903843264 /nfs/dbraw/zinc/84/32/64/903843264.db2.gz UFVGMKOSDLAEOW-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP C[NH+](C)CCC(=O)NCC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001409176513 903863909 /nfs/dbraw/zinc/86/39/09/903863909.db2.gz CKDXHIJNRWGMNK-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001409507416 903913388 /nfs/dbraw/zinc/91/33/88/903913388.db2.gz KNCNDMFJIUWRFB-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001409507416 903913398 /nfs/dbraw/zinc/91/33/98/903913398.db2.gz KNCNDMFJIUWRFB-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001409507416 903913414 /nfs/dbraw/zinc/91/34/14/903913414.db2.gz KNCNDMFJIUWRFB-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001409507416 903913424 /nfs/dbraw/zinc/91/34/24/903913424.db2.gz KNCNDMFJIUWRFB-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001409519514 903914902 /nfs/dbraw/zinc/91/49/02/903914902.db2.gz QPDHUXNCQZDQOF-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001409519514 903914907 /nfs/dbraw/zinc/91/49/07/903914907.db2.gz QPDHUXNCQZDQOF-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001409519514 903914917 /nfs/dbraw/zinc/91/49/17/903914917.db2.gz QPDHUXNCQZDQOF-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001409519514 903914926 /nfs/dbraw/zinc/91/49/26/903914926.db2.gz QPDHUXNCQZDQOF-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)[C@@H](C)C(N)=O ZINC001409568569 903930481 /nfs/dbraw/zinc/93/04/81/903930481.db2.gz QGZHAZIAODRNIJ-QWRGUYRKSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)[C@@H](C)C(N)=O ZINC001409568569 903930489 /nfs/dbraw/zinc/93/04/89/903930489.db2.gz QGZHAZIAODRNIJ-QWRGUYRKSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)[C@@H](C)C(N)=O ZINC001409568569 903930499 /nfs/dbraw/zinc/93/04/99/903930499.db2.gz QGZHAZIAODRNIJ-QWRGUYRKSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001409568569 903930506 /nfs/dbraw/zinc/93/05/06/903930506.db2.gz QGZHAZIAODRNIJ-QWRGUYRKSA-N 2 1 284.404 -0.219 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001409651358 903950629 /nfs/dbraw/zinc/95/06/29/903950629.db2.gz SGCYWWVVFSXWLY-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001409651358 903950646 /nfs/dbraw/zinc/95/06/46/903950646.db2.gz SGCYWWVVFSXWLY-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC(=O)N1CCC1 ZINC001409696696 903959859 /nfs/dbraw/zinc/95/98/59/903959859.db2.gz YQXKPBLFPAXZDJ-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CC(=O)N1CCC1 ZINC001409696696 903959864 /nfs/dbraw/zinc/95/98/64/903959864.db2.gz YQXKPBLFPAXZDJ-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001410502231 904110842 /nfs/dbraw/zinc/11/08/42/904110842.db2.gz RXGVZJXTCVMYAQ-QWRGUYRKSA-N 2 1 295.391 -0.902 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001410502231 904110847 /nfs/dbraw/zinc/11/08/47/904110847.db2.gz RXGVZJXTCVMYAQ-QWRGUYRKSA-N 2 1 295.391 -0.902 20 0 CBADMP CC(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001410588621 904138388 /nfs/dbraw/zinc/13/83/88/904138388.db2.gz XAACJNVSIBKYMM-OLZOCXBDSA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001410588621 904138400 /nfs/dbraw/zinc/13/84/00/904138400.db2.gz XAACJNVSIBKYMM-OLZOCXBDSA-N 2 1 287.404 -0.570 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccccn1)[NH+](C)C ZINC001410756869 904180001 /nfs/dbraw/zinc/18/00/01/904180001.db2.gz RHYJMVDHQHZWOT-UONOGXRCSA-N 2 1 294.399 -0.012 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001410920398 904203610 /nfs/dbraw/zinc/20/36/10/904203610.db2.gz YIVZFZSCMHTVHB-WFASDCNBSA-N 2 1 296.415 -0.203 20 0 CBADMP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001411011856 904223367 /nfs/dbraw/zinc/22/33/67/904223367.db2.gz OWILVEAWSMDYNL-QWHCGFSZSA-N 2 1 285.388 -0.864 20 0 CBADMP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001411011856 904223376 /nfs/dbraw/zinc/22/33/76/904223376.db2.gz OWILVEAWSMDYNL-QWHCGFSZSA-N 2 1 285.388 -0.864 20 0 CBADMP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001411011858 904223574 /nfs/dbraw/zinc/22/35/74/904223574.db2.gz OWILVEAWSMDYNL-STQMWFEESA-N 2 1 285.388 -0.864 20 0 CBADMP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001411011858 904223586 /nfs/dbraw/zinc/22/35/86/904223586.db2.gz OWILVEAWSMDYNL-STQMWFEESA-N 2 1 285.388 -0.864 20 0 CBADMP CN(C[C@@H](O)C[NH2+]CC1CCC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001411012464 904224188 /nfs/dbraw/zinc/22/41/88/904224188.db2.gz QYLJFXRHVYVKJM-UONOGXRCSA-N 2 1 299.415 -0.474 20 0 CBADMP CN(C[C@@H](O)C[NH2+]CC1CCC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001411012464 904224199 /nfs/dbraw/zinc/22/41/99/904224199.db2.gz QYLJFXRHVYVKJM-UONOGXRCSA-N 2 1 299.415 -0.474 20 0 CBADMP COCC[N@@H+](CCO)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001411213687 904261404 /nfs/dbraw/zinc/26/14/04/904261404.db2.gz HAIKOABJZCMJOC-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP COCC[NH+](CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001411213687 904261427 /nfs/dbraw/zinc/26/14/27/904261427.db2.gz HAIKOABJZCMJOC-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP COCC[NH+](CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001411213687 904261443 /nfs/dbraw/zinc/26/14/43/904261443.db2.gz HAIKOABJZCMJOC-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP C[NH+]1CCC(CCO)(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001411988979 904410817 /nfs/dbraw/zinc/41/08/17/904410817.db2.gz SRJLCDUWBNZXBT-UHFFFAOYSA-N 2 1 299.415 -0.328 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1nccc1N ZINC001413268042 904986882 /nfs/dbraw/zinc/98/68/82/904986882.db2.gz SOUYQDAIYPTDJH-LBPRGKRZSA-N 2 1 296.419 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001417758271 906041003 /nfs/dbraw/zinc/04/10/03/906041003.db2.gz SFBIFYOTBUJSOE-NDBYEHHHSA-N 2 1 296.415 -0.301 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001417758274 906042502 /nfs/dbraw/zinc/04/25/02/906042502.db2.gz SFBIFYOTBUJSOE-RVMXOQNASA-N 2 1 296.415 -0.301 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001417776563 906045077 /nfs/dbraw/zinc/04/50/77/906045077.db2.gz VMNAHJMOTBQUQI-UPJWGTAASA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001417779167 906051455 /nfs/dbraw/zinc/05/14/55/906051455.db2.gz UDSMDZVULGMFHV-RWMBFGLXSA-N 2 1 296.415 -0.441 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001418021362 906138374 /nfs/dbraw/zinc/13/83/74/906138374.db2.gz LIYXUZNENLCVLF-GFCCVEGCSA-N 2 1 293.371 -0.461 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)OC)C2)C1 ZINC001418077008 906159450 /nfs/dbraw/zinc/15/94/50/906159450.db2.gz SNDUYLQWTAMBTR-SYQHCUMBSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)OC)C2)C1 ZINC001418077008 906159464 /nfs/dbraw/zinc/15/94/64/906159464.db2.gz SNDUYLQWTAMBTR-SYQHCUMBSA-N 2 1 299.415 -0.021 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001418090702 906164719 /nfs/dbraw/zinc/16/47/19/906164719.db2.gz YZCQUBLUEUEKRN-FRRDWIJNSA-N 2 1 296.415 -0.158 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001418092803 906164885 /nfs/dbraw/zinc/16/48/85/906164885.db2.gz ROIKXCXXXQNSQQ-PEBLQZBPSA-N 2 1 299.415 -0.429 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cnn(C)n1 ZINC001418234686 906232411 /nfs/dbraw/zinc/23/24/11/906232411.db2.gz MBIIAWSQNVGEJQ-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cnn(C)n1 ZINC001418234686 906232431 /nfs/dbraw/zinc/23/24/31/906232431.db2.gz MBIIAWSQNVGEJQ-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001418241454 906239071 /nfs/dbraw/zinc/23/90/71/906239071.db2.gz DMMXTXHYIVJELF-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ncnn1C ZINC001418271392 906249659 /nfs/dbraw/zinc/24/96/59/906249659.db2.gz YVGSRQPFDZAEBF-LLVKDONJSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1nncn1C)[NH+](C)C ZINC001418296101 906268661 /nfs/dbraw/zinc/26/86/61/906268661.db2.gz AVVGTYMRAPOIGH-MNOVXSKESA-N 2 1 282.392 -0.250 20 0 CBADMP CCn1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001418311720 906275454 /nfs/dbraw/zinc/27/54/54/906275454.db2.gz AODAUCJAUYTDHE-VXGBXAGGSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001418311720 906275471 /nfs/dbraw/zinc/27/54/71/906275471.db2.gz AODAUCJAUYTDHE-VXGBXAGGSA-N 2 1 294.403 -0.156 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001418347033 906292680 /nfs/dbraw/zinc/29/26/80/906292680.db2.gz CDIUIRHJVUYMLF-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP COCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001418356396 906295944 /nfs/dbraw/zinc/29/59/44/906295944.db2.gz KAOIURJIXIUDBB-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001418356396 906295963 /nfs/dbraw/zinc/29/59/63/906295963.db2.gz KAOIURJIXIUDBB-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001418356396 906295982 /nfs/dbraw/zinc/29/59/82/906295982.db2.gz KAOIURJIXIUDBB-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001418356396 906296000 /nfs/dbraw/zinc/29/60/00/906296000.db2.gz KAOIURJIXIUDBB-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418432249 906319895 /nfs/dbraw/zinc/31/98/95/906319895.db2.gz HZHGAFHSNQORND-QWRGUYRKSA-N 2 1 270.377 -0.832 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001418638458 906434566 /nfs/dbraw/zinc/43/45/66/906434566.db2.gz JWNUYUSJZNSVMY-LLVKDONJSA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001418638458 906434575 /nfs/dbraw/zinc/43/45/75/906434575.db2.gz JWNUYUSJZNSVMY-LLVKDONJSA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001418638458 906434583 /nfs/dbraw/zinc/43/45/83/906434583.db2.gz JWNUYUSJZNSVMY-LLVKDONJSA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001418638458 906434594 /nfs/dbraw/zinc/43/45/94/906434594.db2.gz JWNUYUSJZNSVMY-LLVKDONJSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001418658469 906438611 /nfs/dbraw/zinc/43/86/11/906438611.db2.gz MQOUAQPHVCOJBK-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001418658469 906438621 /nfs/dbraw/zinc/43/86/21/906438621.db2.gz MQOUAQPHVCOJBK-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001418658469 906438630 /nfs/dbraw/zinc/43/86/30/906438630.db2.gz MQOUAQPHVCOJBK-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001418681525 906445159 /nfs/dbraw/zinc/44/51/59/906445159.db2.gz IZFJZDXZQPANRP-ZDUSSCGKSA-N 2 1 285.388 -0.861 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001418681525 906445166 /nfs/dbraw/zinc/44/51/66/906445166.db2.gz IZFJZDXZQPANRP-ZDUSSCGKSA-N 2 1 285.388 -0.861 20 0 CBADMP CC(C)NC(=O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418677431 906446130 /nfs/dbraw/zinc/44/61/30/906446130.db2.gz VNXGBSODPYPXKO-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001418701562 906450620 /nfs/dbraw/zinc/45/06/20/906450620.db2.gz KBIRWIPMIZSFRM-FDYHWXHSSA-N 2 1 296.415 -0.314 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001418691374 906450647 /nfs/dbraw/zinc/45/06/47/906450647.db2.gz ALIDVPVBSPUORG-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001418934853 906520474 /nfs/dbraw/zinc/52/04/74/906520474.db2.gz MFABOODNRZANMX-QWHCGFSZSA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001418934853 906520484 /nfs/dbraw/zinc/52/04/84/906520484.db2.gz MFABOODNRZANMX-QWHCGFSZSA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001418934853 906520493 /nfs/dbraw/zinc/52/04/93/906520493.db2.gz MFABOODNRZANMX-QWHCGFSZSA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC(C[N@@H+](C)CC(N)=O)CC1 ZINC001418946472 906524297 /nfs/dbraw/zinc/52/42/97/906524297.db2.gz MAIMGHGAIAKORS-UHFFFAOYSA-N 2 1 284.404 -0.406 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419030188 906571686 /nfs/dbraw/zinc/57/16/86/906571686.db2.gz VYBLPUOJAUYMRO-LBPRGKRZSA-N 2 1 296.415 -0.360 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001419069666 906586868 /nfs/dbraw/zinc/58/68/68/906586868.db2.gz YFOGMUCHOUUPQY-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001419069666 906586873 /nfs/dbraw/zinc/58/68/73/906586873.db2.gz YFOGMUCHOUUPQY-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](CC)C(N)=O)C1)[NH+](C)C ZINC001419086551 906593689 /nfs/dbraw/zinc/59/36/89/906593689.db2.gz GUWXGNXPPHKEIW-WOPDTQHZSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](CC)C(N)=O)C1)[NH+](C)C ZINC001419086551 906593704 /nfs/dbraw/zinc/59/37/04/906593704.db2.gz GUWXGNXPPHKEIW-WOPDTQHZSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001419135104 906606056 /nfs/dbraw/zinc/60/60/56/906606056.db2.gz FVQYTSOZTCVWKS-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001419135104 906606063 /nfs/dbraw/zinc/60/60/63/906606063.db2.gz FVQYTSOZTCVWKS-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001419135104 906606069 /nfs/dbraw/zinc/60/60/69/906606069.db2.gz FVQYTSOZTCVWKS-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001419135104 906606073 /nfs/dbraw/zinc/60/60/73/906606073.db2.gz FVQYTSOZTCVWKS-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001419170522 906624769 /nfs/dbraw/zinc/62/47/69/906624769.db2.gz ALECAXUGVMXXEG-OLZOCXBDSA-N 2 1 294.403 -0.143 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC001419180162 906627649 /nfs/dbraw/zinc/62/76/49/906627649.db2.gz OLAPDLAKOIPCBN-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC001419180162 906627657 /nfs/dbraw/zinc/62/76/57/906627657.db2.gz OLAPDLAKOIPCBN-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001419180162 906627662 /nfs/dbraw/zinc/62/76/62/906627662.db2.gz OLAPDLAKOIPCBN-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001419180162 906627670 /nfs/dbraw/zinc/62/76/70/906627670.db2.gz OLAPDLAKOIPCBN-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001419176131 906629738 /nfs/dbraw/zinc/62/97/38/906629738.db2.gz HWGFUSUQFZFMIM-AAEUAGOBSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001419223449 906640064 /nfs/dbraw/zinc/64/00/64/906640064.db2.gz QETUMDOQTATOBX-SDDRHHMPSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+][C@@H](C)C(=O)NC ZINC001419224602 906642154 /nfs/dbraw/zinc/64/21/54/906642154.db2.gz VKXPTKUDQLURIZ-RYUDHWBXSA-N 2 1 295.387 -0.190 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001419315267 906662259 /nfs/dbraw/zinc/66/22/59/906662259.db2.gz AKQKONQKDQFKOU-AAEUAGOBSA-N 2 1 298.431 -0.055 20 0 CBADMP C[N@H+](CCO)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001419323985 906663213 /nfs/dbraw/zinc/66/32/13/906663213.db2.gz UTRKNOZHIZZJLH-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP C[N@@H+](CCO)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001419323985 906663226 /nfs/dbraw/zinc/66/32/26/906663226.db2.gz UTRKNOZHIZZJLH-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCO)C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001419323985 906663239 /nfs/dbraw/zinc/66/32/39/906663239.db2.gz UTRKNOZHIZZJLH-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCO)C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001419323985 906663250 /nfs/dbraw/zinc/66/32/50/906663250.db2.gz UTRKNOZHIZZJLH-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001419422433 906682988 /nfs/dbraw/zinc/68/29/88/906682988.db2.gz HVOAEFLORZBVFS-CYDGBPFRSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+][C@H](C)C(N)=O ZINC001419465074 906695841 /nfs/dbraw/zinc/69/58/41/906695841.db2.gz DDYZTOGIXOMTFM-WDEREUQCSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CC(=O)N(C)C ZINC001419500905 906703950 /nfs/dbraw/zinc/70/39/50/906703950.db2.gz GOSFNNIHNKSHJX-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001419509619 906709438 /nfs/dbraw/zinc/70/94/38/906709438.db2.gz NMPWSYZSBYJULB-UTUOFQBUSA-N 2 1 282.388 -0.689 20 0 CBADMP CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001419544222 906716303 /nfs/dbraw/zinc/71/63/03/906716303.db2.gz LKUMTANRABHTMH-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001419564148 906727420 /nfs/dbraw/zinc/72/74/20/906727420.db2.gz IJGNSTRDWZLLPI-LBPRGKRZSA-N 2 1 293.371 -0.495 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001419572558 906733911 /nfs/dbraw/zinc/73/39/11/906733911.db2.gz SNWMYWNAQMHBLE-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP 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 906750192 /nfs/dbraw/zinc/75/01/92/906750192.db2.gz LFZXWDKMODXUIR-MLGHIDQZSA-N 2 1 296.415 -0.363 20 0 CBADMP 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 906753229 /nfs/dbraw/zinc/75/32/29/906753229.db2.gz LFZXWDKMODXUIR-OBPIAQAESA-N 2 1 296.415 -0.363 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001419778407 906810535 /nfs/dbraw/zinc/81/05/35/906810535.db2.gz PXRQAOKKQIPSBR-DGCLKSJQSA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001419891732 906849408 /nfs/dbraw/zinc/84/94/08/906849408.db2.gz CNCWJDXDLWVVHP-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001419962279 906873166 /nfs/dbraw/zinc/87/31/66/906873166.db2.gz IQDLCURUSQISKD-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001419964335 906875765 /nfs/dbraw/zinc/87/57/65/906875765.db2.gz AMPUMHVNJLISCE-IJLUTSLNSA-N 2 1 284.404 -0.409 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001419964335 906875773 /nfs/dbraw/zinc/87/57/73/906875773.db2.gz AMPUMHVNJLISCE-IJLUTSLNSA-N 2 1 284.404 -0.409 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001419964335 906875779 /nfs/dbraw/zinc/87/57/79/906875779.db2.gz AMPUMHVNJLISCE-IJLUTSLNSA-N 2 1 284.404 -0.409 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001419964335 906875789 /nfs/dbraw/zinc/87/57/89/906875789.db2.gz AMPUMHVNJLISCE-IJLUTSLNSA-N 2 1 284.404 -0.409 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2C[NH+](C)CC2(C)C)C1 ZINC001420011730 906894023 /nfs/dbraw/zinc/89/40/23/906894023.db2.gz JVLPGXOPXMBIHB-CYBMUJFWSA-N 2 1 282.432 -0.064 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2C[N@H+](C)CC2(C)C)C1 ZINC001420011730 906894036 /nfs/dbraw/zinc/89/40/36/906894036.db2.gz JVLPGXOPXMBIHB-CYBMUJFWSA-N 2 1 282.432 -0.064 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2C[N@@H+](C)CC2(C)C)C1 ZINC001420011730 906894049 /nfs/dbraw/zinc/89/40/49/906894049.db2.gz JVLPGXOPXMBIHB-CYBMUJFWSA-N 2 1 282.432 -0.064 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[C@H]([NH2+]CCO)C1 ZINC001420009541 906896144 /nfs/dbraw/zinc/89/61/44/906896144.db2.gz CHLJAIBMJLDTAK-KBPBESRZSA-N 2 1 299.415 -0.282 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001420050855 906911349 /nfs/dbraw/zinc/91/13/49/906911349.db2.gz OOOPMCDWBXTMLT-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001420050855 906911359 /nfs/dbraw/zinc/91/13/59/906911359.db2.gz OOOPMCDWBXTMLT-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH2+]C[C@@H](O)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001420142073 906967007 /nfs/dbraw/zinc/96/70/07/906967007.db2.gz HAQWVPCASRJKHD-SECBINFHSA-N 2 1 270.333 -0.564 20 0 CBADMP Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420190282 906999125 /nfs/dbraw/zinc/99/91/25/906999125.db2.gz LQIMGZDFXVKIDD-VXGBXAGGSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420190282 906999137 /nfs/dbraw/zinc/99/91/37/906999137.db2.gz LQIMGZDFXVKIDD-VXGBXAGGSA-N 2 1 296.371 -0.499 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]C(C)C)C1 ZINC001420211750 907020306 /nfs/dbraw/zinc/02/03/06/907020306.db2.gz IXAFFVPMPWDWNE-RYUDHWBXSA-N 2 1 273.377 -0.818 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]C(C)C)C1 ZINC001420211750 907020327 /nfs/dbraw/zinc/02/03/27/907020327.db2.gz IXAFFVPMPWDWNE-RYUDHWBXSA-N 2 1 273.377 -0.818 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001420219991 907026823 /nfs/dbraw/zinc/02/68/23/907026823.db2.gz FDBCWHGKVBEMRI-PWSUYJOCSA-N 2 1 295.387 -0.190 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCn2cncn2)CC[N@H+]1C ZINC001420219933 907027042 /nfs/dbraw/zinc/02/70/42/907027042.db2.gz PCSPCGYGMWYQBA-CHWSQXEVSA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CCn2cncn2)CC[NH+]1C ZINC001420219933 907027057 /nfs/dbraw/zinc/02/70/57/907027057.db2.gz PCSPCGYGMWYQBA-CHWSQXEVSA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CCn2cncn2)CC[NH+]1C ZINC001420219933 907027073 /nfs/dbraw/zinc/02/70/73/907027073.db2.gz PCSPCGYGMWYQBA-CHWSQXEVSA-N 2 1 294.403 -0.334 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001420219255 907027146 /nfs/dbraw/zinc/02/71/46/907027146.db2.gz VSBOLCNBCVUYGV-KGLIPLIRSA-N 2 1 299.415 -0.617 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001420241560 907036943 /nfs/dbraw/zinc/03/69/43/907036943.db2.gz IFQZOLOFRCPNDE-QWRGUYRKSA-N 2 1 295.387 -0.190 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001420242362 907039777 /nfs/dbraw/zinc/03/97/77/907039777.db2.gz DMSBPYGVRIWRMZ-GFCCVEGCSA-N 2 1 287.404 -0.474 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420247316 907043072 /nfs/dbraw/zinc/04/30/72/907043072.db2.gz DPHJQUZPMFWUPJ-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC001420280149 907064640 /nfs/dbraw/zinc/06/46/40/907064640.db2.gz GJLWIYBOTKDBCH-LBPRGKRZSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC001420280149 907064660 /nfs/dbraw/zinc/06/46/60/907064660.db2.gz GJLWIYBOTKDBCH-LBPRGKRZSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)[C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001420276914 907066787 /nfs/dbraw/zinc/06/67/87/907066787.db2.gz BBYKHJZXFXIPOR-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)[C@@H]2CCNC2=O)CC[N@H+]1C ZINC001420276914 907066803 /nfs/dbraw/zinc/06/68/03/907066803.db2.gz BBYKHJZXFXIPOR-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)CC[NH+]1C ZINC001420276914 907066819 /nfs/dbraw/zinc/06/68/19/907066819.db2.gz BBYKHJZXFXIPOR-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)CC[NH+]1C ZINC001420276914 907066840 /nfs/dbraw/zinc/06/68/40/907066840.db2.gz BBYKHJZXFXIPOR-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001420326118 907102010 /nfs/dbraw/zinc/10/20/10/907102010.db2.gz XFESPMYBEUFISX-VOAKCMCISA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001420341939 907106422 /nfs/dbraw/zinc/10/64/22/907106422.db2.gz YGWNNKVSVWTCDZ-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001420341939 907106427 /nfs/dbraw/zinc/10/64/27/907106427.db2.gz YGWNNKVSVWTCDZ-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001420336543 907109119 /nfs/dbraw/zinc/10/91/19/907109119.db2.gz BFTJRTAPXJSTEQ-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCn1cc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)nn1 ZINC001420371441 907124536 /nfs/dbraw/zinc/12/45/36/907124536.db2.gz PIFISFABKLADTC-GFCCVEGCSA-N 2 1 294.403 -0.012 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@@H]1CCOC1 ZINC001420378687 907126096 /nfs/dbraw/zinc/12/60/96/907126096.db2.gz GJKVHDJPIMLMSN-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@@H]1CCOC1 ZINC001420378687 907126105 /nfs/dbraw/zinc/12/61/05/907126105.db2.gz GJKVHDJPIMLMSN-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C[C@@H]1CCOC1 ZINC001420378687 907126110 /nfs/dbraw/zinc/12/61/10/907126110.db2.gz GJKVHDJPIMLMSN-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@@H]1CCOC1 ZINC001420378687 907126120 /nfs/dbraw/zinc/12/61/20/907126120.db2.gz GJKVHDJPIMLMSN-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@H](C)OC ZINC001420379184 907129083 /nfs/dbraw/zinc/12/90/83/907129083.db2.gz IPOZEUIPFSKPEL-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@H](C)OC ZINC001420379184 907129088 /nfs/dbraw/zinc/12/90/88/907129088.db2.gz IPOZEUIPFSKPEL-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C[C@H](C)OC ZINC001420379184 907129092 /nfs/dbraw/zinc/12/90/92/907129092.db2.gz IPOZEUIPFSKPEL-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@H](C)OC ZINC001420379184 907129096 /nfs/dbraw/zinc/12/90/96/907129096.db2.gz IPOZEUIPFSKPEL-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)CC(=O)N(C)C ZINC001420429581 907160471 /nfs/dbraw/zinc/16/04/71/907160471.db2.gz NGSDYLMEJTWROC-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CC1)CC(=O)N(C)C ZINC001420429581 907160479 /nfs/dbraw/zinc/16/04/79/907160479.db2.gz NGSDYLMEJTWROC-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP CCN1CC[C@H]([N@@H+](CC)CCNC(=O)CC[NH+](C)C)C1=O ZINC001420429426 907160793 /nfs/dbraw/zinc/16/07/93/907160793.db2.gz WVVNAQPJDWAZPE-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC ZINC001420437604 907162295 /nfs/dbraw/zinc/16/22/95/907162295.db2.gz MMRXSRKGVQQBBL-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC ZINC001420437604 907162301 /nfs/dbraw/zinc/16/23/01/907162301.db2.gz MMRXSRKGVQQBBL-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C)C(=O)NC ZINC001420437604 907162314 /nfs/dbraw/zinc/16/23/14/907162314.db2.gz MMRXSRKGVQQBBL-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC ZINC001420437604 907162324 /nfs/dbraw/zinc/16/23/24/907162324.db2.gz MMRXSRKGVQQBBL-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001420447002 907166200 /nfs/dbraw/zinc/16/62/00/907166200.db2.gz HQCBFDVCFJJBBS-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001420493291 907184469 /nfs/dbraw/zinc/18/44/69/907184469.db2.gz OPHAVJXSSABFCC-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001420493291 907184478 /nfs/dbraw/zinc/18/44/78/907184478.db2.gz OPHAVJXSSABFCC-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001420533441 907199010 /nfs/dbraw/zinc/19/90/10/907199010.db2.gz FFLVCJVSEZFFRQ-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001420550567 907211116 /nfs/dbraw/zinc/21/11/16/907211116.db2.gz AMPKSVNNYYJVHT-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001420550567 907211133 /nfs/dbraw/zinc/21/11/33/907211133.db2.gz AMPKSVNNYYJVHT-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001420550567 907211150 /nfs/dbraw/zinc/21/11/50/907211150.db2.gz AMPKSVNNYYJVHT-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001420561663 907212747 /nfs/dbraw/zinc/21/27/47/907212747.db2.gz OFNBEHYZGVZJAE-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001420561663 907212766 /nfs/dbraw/zinc/21/27/66/907212766.db2.gz OFNBEHYZGVZJAE-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001420561663 907212785 /nfs/dbraw/zinc/21/27/85/907212785.db2.gz OFNBEHYZGVZJAE-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001420661359 907259558 /nfs/dbraw/zinc/25/95/58/907259558.db2.gz OBPYFDFUEZARRR-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001420655044 907259920 /nfs/dbraw/zinc/25/99/20/907259920.db2.gz AGZBWSALAKFXSQ-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001420655044 907259938 /nfs/dbraw/zinc/25/99/38/907259938.db2.gz AGZBWSALAKFXSQ-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420655044 907259956 /nfs/dbraw/zinc/25/99/56/907259956.db2.gz AGZBWSALAKFXSQ-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420655044 907259973 /nfs/dbraw/zinc/25/99/73/907259973.db2.gz AGZBWSALAKFXSQ-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001420679645 907263964 /nfs/dbraw/zinc/26/39/64/907263964.db2.gz RRAQPYLPCHVOSP-VXGBXAGGSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001420679645 907263980 /nfs/dbraw/zinc/26/39/80/907263980.db2.gz RRAQPYLPCHVOSP-VXGBXAGGSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001420679645 907263996 /nfs/dbraw/zinc/26/39/96/907263996.db2.gz RRAQPYLPCHVOSP-VXGBXAGGSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001420679645 907264014 /nfs/dbraw/zinc/26/40/14/907264014.db2.gz RRAQPYLPCHVOSP-VXGBXAGGSA-N 2 1 286.420 -0.102 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@H+](C1CC1)[C@H]1CCCNC1=O ZINC001420689390 907270434 /nfs/dbraw/zinc/27/04/34/907270434.db2.gz UWJYHKSJTUNAJY-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@@H+](C1CC1)[C@H]1CCCNC1=O ZINC001420689390 907270451 /nfs/dbraw/zinc/27/04/51/907270451.db2.gz UWJYHKSJTUNAJY-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@H](NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001420774511 907298363 /nfs/dbraw/zinc/29/83/63/907298363.db2.gz FTFRQCYVPXYIBR-OCCSQVGLSA-N 2 1 299.415 -0.426 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001420890873 907340497 /nfs/dbraw/zinc/34/04/97/907340497.db2.gz MTTBYNNUTYRQJZ-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001420890873 907340522 /nfs/dbraw/zinc/34/05/22/907340522.db2.gz MTTBYNNUTYRQJZ-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001420890873 907340539 /nfs/dbraw/zinc/34/05/39/907340539.db2.gz MTTBYNNUTYRQJZ-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001420930609 907364825 /nfs/dbraw/zinc/36/48/25/907364825.db2.gz DUCMYRXTOFDKFY-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001420952297 907369850 /nfs/dbraw/zinc/36/98/50/907369850.db2.gz WXQJNBZLANWNDG-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(N)=O ZINC001421117092 907435118 /nfs/dbraw/zinc/43/51/18/907435118.db2.gz OSAQBBTZQYFXEY-VXGBXAGGSA-N 2 1 293.371 -0.354 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001421379369 907515330 /nfs/dbraw/zinc/51/53/30/907515330.db2.gz ILSWBVWGLYYEOG-AAEUAGOBSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001421379369 907515341 /nfs/dbraw/zinc/51/53/41/907515341.db2.gz ILSWBVWGLYYEOG-AAEUAGOBSA-N 2 1 294.403 -0.106 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001421374349 907517769 /nfs/dbraw/zinc/51/77/69/907517769.db2.gz RGSPLOKOYNSHBG-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001421374349 907517788 /nfs/dbraw/zinc/51/77/88/907517788.db2.gz RGSPLOKOYNSHBG-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001421391824 907522613 /nfs/dbraw/zinc/52/26/13/907522613.db2.gz ICVMSGAPQHOHAO-CQSZACIVSA-N 2 1 285.388 -0.718 20 0 CBADMP CC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001421391824 907522629 /nfs/dbraw/zinc/52/26/29/907522629.db2.gz ICVMSGAPQHOHAO-CQSZACIVSA-N 2 1 285.388 -0.718 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CCF)C1 ZINC001421391263 907523042 /nfs/dbraw/zinc/52/30/42/907523042.db2.gz GWEFAZIQCOUUCN-CYBMUJFWSA-N 2 1 275.368 -0.149 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CCF)C1 ZINC001421391263 907523057 /nfs/dbraw/zinc/52/30/57/907523057.db2.gz GWEFAZIQCOUUCN-CYBMUJFWSA-N 2 1 275.368 -0.149 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001421391263 907523073 /nfs/dbraw/zinc/52/30/73/907523073.db2.gz GWEFAZIQCOUUCN-CYBMUJFWSA-N 2 1 275.368 -0.149 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001421391263 907523077 /nfs/dbraw/zinc/52/30/77/907523077.db2.gz GWEFAZIQCOUUCN-CYBMUJFWSA-N 2 1 275.368 -0.149 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001421551631 907580319 /nfs/dbraw/zinc/58/03/19/907580319.db2.gz VCXZTVQDSHOIJX-ZYHUDNBSSA-N 2 1 293.371 -0.497 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001421644028 907599670 /nfs/dbraw/zinc/59/96/70/907599670.db2.gz RVTXOCLYUXMLEG-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001421698452 907618150 /nfs/dbraw/zinc/61/81/50/907618150.db2.gz HJJIXUMVEMTQOJ-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP Cn1ncc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCC2)n1 ZINC001421773261 907639632 /nfs/dbraw/zinc/63/96/32/907639632.db2.gz XMETXQKEJVINMV-UHFFFAOYSA-N 2 1 294.403 -0.105 20 0 CBADMP O=C(CCN1CCOCC1)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001421826567 907651181 /nfs/dbraw/zinc/65/11/81/907651181.db2.gz LLOQYUZONSZYEB-AWEZNQCLSA-N 2 1 299.415 -0.328 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001421826567 907651194 /nfs/dbraw/zinc/65/11/94/907651194.db2.gz LLOQYUZONSZYEB-AWEZNQCLSA-N 2 1 299.415 -0.328 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001421826567 907651205 /nfs/dbraw/zinc/65/12/05/907651205.db2.gz LLOQYUZONSZYEB-AWEZNQCLSA-N 2 1 299.415 -0.328 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC001421829525 907656970 /nfs/dbraw/zinc/65/69/70/907656970.db2.gz MMUCQWDKFKGEBA-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001421971030 907695268 /nfs/dbraw/zinc/69/52/68/907695268.db2.gz FPUTUZZDHWUJSI-NSHDSACASA-N 2 1 297.407 -0.512 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001421971030 907695274 /nfs/dbraw/zinc/69/52/74/907695274.db2.gz FPUTUZZDHWUJSI-NSHDSACASA-N 2 1 297.407 -0.512 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001421993658 907698248 /nfs/dbraw/zinc/69/82/48/907698248.db2.gz MTFLMTYHISDPKP-NSHDSACASA-N 2 1 295.387 -0.284 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001421984630 907698413 /nfs/dbraw/zinc/69/84/13/907698413.db2.gz GXHYKKNQMZUALS-UKRRQHHQSA-N 2 1 299.415 -0.736 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001422042405 907707628 /nfs/dbraw/zinc/70/76/28/907707628.db2.gz DOHKWYIIFKCCAY-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cnon1 ZINC001422067823 907710245 /nfs/dbraw/zinc/71/02/45/907710245.db2.gz SWPDTDHIQGHSCI-JQWIXIFHSA-N 2 1 281.360 -0.042 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001422194326 907742637 /nfs/dbraw/zinc/74/26/37/907742637.db2.gz DWJTWJKSZGJALZ-LLVKDONJSA-N 2 1 272.393 -0.408 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001422194326 907742645 /nfs/dbraw/zinc/74/26/45/907742645.db2.gz DWJTWJKSZGJALZ-LLVKDONJSA-N 2 1 272.393 -0.408 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001422241515 907759558 /nfs/dbraw/zinc/75/95/58/907759558.db2.gz GDAZJOAPMFJNGX-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001422241515 907759570 /nfs/dbraw/zinc/75/95/70/907759570.db2.gz GDAZJOAPMFJNGX-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1)[NH+](C)C ZINC001422320350 907798372 /nfs/dbraw/zinc/79/83/72/907798372.db2.gz FWGIYAYVLYHLRE-RYUDHWBXSA-N 2 1 299.375 -0.778 20 0 CBADMP C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001422395366 907840221 /nfs/dbraw/zinc/84/02/21/907840221.db2.gz WBXUKLPGQUWJDS-MNOVXSKESA-N 2 1 282.392 -0.250 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)Cn1cc[nH+]c1C ZINC001422458564 907867132 /nfs/dbraw/zinc/86/71/32/907867132.db2.gz KPISZDFWAJTCFZ-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422458129 907870238 /nfs/dbraw/zinc/87/02/38/907870238.db2.gz JNIGZSDDYTYADP-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001422472686 907874838 /nfs/dbraw/zinc/87/48/38/907874838.db2.gz VXYQDFIXLRNPIM-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001422514596 907902061 /nfs/dbraw/zinc/90/20/61/907902061.db2.gz KKXXZSUMLGFJRL-GHMZBOCLSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001422514596 907902074 /nfs/dbraw/zinc/90/20/74/907902074.db2.gz KKXXZSUMLGFJRL-GHMZBOCLSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@H]1CCNC1=O ZINC001422548608 907917613 /nfs/dbraw/zinc/91/76/13/907917613.db2.gz DGPTZVIGPPPTSI-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@@H](C)C(N)=O ZINC001422552140 907917864 /nfs/dbraw/zinc/91/78/64/907917864.db2.gz MPOOGFKARPTOOR-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001422552140 907917876 /nfs/dbraw/zinc/91/78/76/907917876.db2.gz MPOOGFKARPTOOR-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[NH+]1CCCC1 ZINC001422614239 907945226 /nfs/dbraw/zinc/94/52/26/907945226.db2.gz IIQXTLQDWKROJF-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001422658237 907968804 /nfs/dbraw/zinc/96/88/04/907968804.db2.gz AWQHQGHEQXOEIR-AAEUAGOBSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC(=O)NC2CC2)C1 ZINC001422728051 907989158 /nfs/dbraw/zinc/98/91/58/907989158.db2.gz CKQDLCIKMSHJGP-LLVKDONJSA-N 2 1 296.415 -0.347 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422745203 907992624 /nfs/dbraw/zinc/99/26/24/907992624.db2.gz QBRLNEREWCMRSR-SDDRHHMPSA-N 2 1 273.377 -0.960 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(C)C ZINC001422743063 907993479 /nfs/dbraw/zinc/99/34/79/907993479.db2.gz FQDPCOKLTIRJIY-NSHDSACASA-N 2 1 295.387 -0.190 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001422785128 908008433 /nfs/dbraw/zinc/00/84/33/908008433.db2.gz QKIGMPIRSUESNB-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001422785128 908008452 /nfs/dbraw/zinc/00/84/52/908008452.db2.gz QKIGMPIRSUESNB-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001422785128 908008470 /nfs/dbraw/zinc/00/84/70/908008470.db2.gz QKIGMPIRSUESNB-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001422785128 908008490 /nfs/dbraw/zinc/00/84/90/908008490.db2.gz QKIGMPIRSUESNB-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001422812064 908021394 /nfs/dbraw/zinc/02/13/94/908021394.db2.gz PNNNHDCWNCFXLX-HBNTYKKESA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001422812064 908021412 /nfs/dbraw/zinc/02/14/12/908021412.db2.gz PNNNHDCWNCFXLX-HBNTYKKESA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001422812064 908021431 /nfs/dbraw/zinc/02/14/31/908021431.db2.gz PNNNHDCWNCFXLX-HBNTYKKESA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001422812064 908021441 /nfs/dbraw/zinc/02/14/41/908021441.db2.gz PNNNHDCWNCFXLX-HBNTYKKESA-N 2 1 270.377 -0.752 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001422826644 908028054 /nfs/dbraw/zinc/02/80/54/908028054.db2.gz RMKFEGYKNXGBAM-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001422883766 908041492 /nfs/dbraw/zinc/04/14/92/908041492.db2.gz IEXDZNNSUIKFBN-WDEREUQCSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001422883766 908041507 /nfs/dbraw/zinc/04/15/07/908041507.db2.gz IEXDZNNSUIKFBN-WDEREUQCSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCCO)C1 ZINC001422919356 908055452 /nfs/dbraw/zinc/05/54/52/908055452.db2.gz BRYZTMVQXFUDQY-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCCO)C1 ZINC001422919356 908055462 /nfs/dbraw/zinc/05/54/62/908055462.db2.gz BRYZTMVQXFUDQY-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCO)C1 ZINC001422919356 908055477 /nfs/dbraw/zinc/05/54/77/908055477.db2.gz BRYZTMVQXFUDQY-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCO)C1 ZINC001422919356 908055491 /nfs/dbraw/zinc/05/54/91/908055491.db2.gz BRYZTMVQXFUDQY-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422916995 908058321 /nfs/dbraw/zinc/05/83/21/908058321.db2.gz CAKYOWBUIMXMPJ-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422916995 908058334 /nfs/dbraw/zinc/05/83/34/908058334.db2.gz CAKYOWBUIMXMPJ-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+](C)CCCO)C1 ZINC001422919350 908059371 /nfs/dbraw/zinc/05/93/71/908059371.db2.gz BRYZTMVQXFUDQY-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+](C)CCCO)C1 ZINC001422919350 908059384 /nfs/dbraw/zinc/05/93/84/908059384.db2.gz BRYZTMVQXFUDQY-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)C[N@H+](C)CCCO)C1 ZINC001422919350 908059399 /nfs/dbraw/zinc/05/93/99/908059399.db2.gz BRYZTMVQXFUDQY-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)C[N@@H+](C)CCCO)C1 ZINC001422919350 908059411 /nfs/dbraw/zinc/05/94/11/908059411.db2.gz BRYZTMVQXFUDQY-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001423037214 908085231 /nfs/dbraw/zinc/08/52/31/908085231.db2.gz FHTGVEQDDZZCPM-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001423115862 908114589 /nfs/dbraw/zinc/11/45/89/908114589.db2.gz PBVIRJJWUPUIOK-GFCCVEGCSA-N 2 1 297.403 -0.846 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001423115862 908114597 /nfs/dbraw/zinc/11/45/97/908114597.db2.gz PBVIRJJWUPUIOK-GFCCVEGCSA-N 2 1 297.403 -0.846 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001423169024 908126263 /nfs/dbraw/zinc/12/62/63/908126263.db2.gz HBSOAZYSPSPOTF-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CCF)CC[N@H+]1C ZINC001423212845 908157893 /nfs/dbraw/zinc/15/78/93/908157893.db2.gz MAMPYEHOYZGPBI-GRYCIOLGSA-N 2 1 275.368 -0.247 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1)C(N)=O ZINC001423224688 908168150 /nfs/dbraw/zinc/16/81/50/908168150.db2.gz FPDHKNQOKHCJGD-QWRGUYRKSA-N 2 1 282.388 -0.417 20 0 CBADMP Cc1noc(C)c1C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001423257573 908180016 /nfs/dbraw/zinc/18/00/16/908180016.db2.gz IVHOXSKSTWWHBO-LBPRGKRZSA-N 2 1 298.387 -0.190 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001423294047 908194817 /nfs/dbraw/zinc/19/48/17/908194817.db2.gz NCNLDBPCENVURZ-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@H]2CCCNC2=O)CC1 ZINC001423294049 908195083 /nfs/dbraw/zinc/19/50/83/908195083.db2.gz NCNLDBPCENVURZ-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP CC(C)N(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001423567634 908287291 /nfs/dbraw/zinc/28/72/91/908287291.db2.gz AIARGHZZFGPNSG-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)N(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001423567634 908287304 /nfs/dbraw/zinc/28/73/04/908287304.db2.gz AIARGHZZFGPNSG-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001423710316 908310045 /nfs/dbraw/zinc/31/00/45/908310045.db2.gz INXBDCDOUAHTNY-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001423710316 908310059 /nfs/dbraw/zinc/31/00/59/908310059.db2.gz INXBDCDOUAHTNY-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001423763328 908322362 /nfs/dbraw/zinc/32/23/62/908322362.db2.gz MOOOBFRVFASWJE-DZGCQCFKSA-N 2 1 281.400 -0.099 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001423967922 908375272 /nfs/dbraw/zinc/37/52/72/908375272.db2.gz XRIIKJTZVWLSLE-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001424269325 908436317 /nfs/dbraw/zinc/43/63/17/908436317.db2.gz SEGCEEBOWMBWCC-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001424333514 908443962 /nfs/dbraw/zinc/44/39/62/908443962.db2.gz XGRACFDGYIAIAK-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CN(CCC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001424332271 908445406 /nfs/dbraw/zinc/44/54/06/908445406.db2.gz QSNDHONKBWTVDJ-LLVKDONJSA-N 2 1 270.377 -0.796 20 0 CBADMP CN(CCC[NH+](C)CC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001424332271 908445411 /nfs/dbraw/zinc/44/54/11/908445411.db2.gz QSNDHONKBWTVDJ-LLVKDONJSA-N 2 1 270.377 -0.796 20 0 CBADMP CN(CCC[NH+](C)CC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001424332271 908445416 /nfs/dbraw/zinc/44/54/16/908445416.db2.gz QSNDHONKBWTVDJ-LLVKDONJSA-N 2 1 270.377 -0.796 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+][C@@H]1CCNC1=O ZINC001503429591 921410420 /nfs/dbraw/zinc/41/04/20/921410420.db2.gz WGHOTWAQFUKNGD-XQQFMLRXSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)[C@H]1CCC[NH+]1C ZINC001503854292 921414876 /nfs/dbraw/zinc/41/48/76/921414876.db2.gz TZEDDLNPLCUJLD-YNEHKIRRSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001503854292 921414884 /nfs/dbraw/zinc/41/48/84/921414884.db2.gz TZEDDLNPLCUJLD-YNEHKIRRSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001503854292 921414889 /nfs/dbraw/zinc/41/48/89/921414889.db2.gz TZEDDLNPLCUJLD-YNEHKIRRSA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2(CO)CC[NH+](CCCO)CC2)C1 ZINC001505393064 921420252 /nfs/dbraw/zinc/42/02/52/921420252.db2.gz NGOVRZDXDQAQFN-ZDUSSCGKSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CC(N)=O ZINC001425084813 908568323 /nfs/dbraw/zinc/56/83/23/908568323.db2.gz LZGMQMWFNBIOFB-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@@H+](C)CC(N)=O ZINC001425084813 908568333 /nfs/dbraw/zinc/56/83/33/908568333.db2.gz LZGMQMWFNBIOFB-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+](C)CCO)C1 ZINC001425069799 908569038 /nfs/dbraw/zinc/56/90/38/908569038.db2.gz NZZAAHFUCTWRQE-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+](C)CCO)C1 ZINC001425069799 908569049 /nfs/dbraw/zinc/56/90/49/908569049.db2.gz NZZAAHFUCTWRQE-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCO)C1 ZINC001425069799 908569056 /nfs/dbraw/zinc/56/90/56/908569056.db2.gz NZZAAHFUCTWRQE-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CCO)C1 ZINC001425069799 908569068 /nfs/dbraw/zinc/56/90/68/908569068.db2.gz NZZAAHFUCTWRQE-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001425225046 908587855 /nfs/dbraw/zinc/58/78/55/908587855.db2.gz CQNVTQBZWNFJHL-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001425252450 908594484 /nfs/dbraw/zinc/59/44/84/908594484.db2.gz JGDWTRIHVWETRF-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCO)C1 ZINC001425353916 908627997 /nfs/dbraw/zinc/62/79/97/908627997.db2.gz DQUXYZWKMYVOGY-STQMWFEESA-N 2 1 287.404 -0.476 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCO)C1 ZINC001425353906 908628629 /nfs/dbraw/zinc/62/86/29/908628629.db2.gz DQUXYZWKMYVOGY-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001505462330 921426108 /nfs/dbraw/zinc/42/61/08/921426108.db2.gz OOFVCOHEUNMCNH-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001505462330 921426114 /nfs/dbraw/zinc/42/61/14/921426114.db2.gz OOFVCOHEUNMCNH-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001505462330 921426122 /nfs/dbraw/zinc/42/61/22/921426122.db2.gz OOFVCOHEUNMCNH-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001505462330 921426134 /nfs/dbraw/zinc/42/61/34/921426134.db2.gz OOFVCOHEUNMCNH-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001505465869 921426641 /nfs/dbraw/zinc/42/66/41/921426641.db2.gz NWYDRRKZORFBRH-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001505465869 921426645 /nfs/dbraw/zinc/42/66/45/921426645.db2.gz NWYDRRKZORFBRH-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001505465869 921426654 /nfs/dbraw/zinc/42/66/54/921426654.db2.gz NWYDRRKZORFBRH-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001505465869 921426659 /nfs/dbraw/zinc/42/66/59/921426659.db2.gz NWYDRRKZORFBRH-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)[C@H]1CCNC1=O ZINC001505444964 921427513 /nfs/dbraw/zinc/42/75/13/921427513.db2.gz LRAPHRFWHOKCIJ-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001505455501 921427834 /nfs/dbraw/zinc/42/78/34/921427834.db2.gz BRPHGBXCSLWKOF-LBPRGKRZSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001505455501 921427847 /nfs/dbraw/zinc/42/78/47/921427847.db2.gz BRPHGBXCSLWKOF-LBPRGKRZSA-N 2 1 294.399 -0.510 20 0 CBADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001425505453 908660475 /nfs/dbraw/zinc/66/04/75/908660475.db2.gz IYSNXTRFBJXAAW-CHWSQXEVSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@H]1CCNC1=O ZINC001505444962 921428232 /nfs/dbraw/zinc/42/82/32/921428232.db2.gz LRAPHRFWHOKCIJ-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001425656566 908687866 /nfs/dbraw/zinc/68/78/66/908687866.db2.gz OJXZYBLKTANZQO-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CC(C[NH2+][C@H](C)C(N)=O)C1 ZINC001505528858 921435169 /nfs/dbraw/zinc/43/51/69/921435169.db2.gz SVHOSZKHPORXQO-VOMCLLRMSA-N 2 1 284.404 -0.314 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccnc2)C1 ZINC001425844996 908762911 /nfs/dbraw/zinc/76/29/11/908762911.db2.gz VPQJVZMZMHYWFQ-ZIAGYGMSSA-N 2 1 292.383 -0.400 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001425928084 908784068 /nfs/dbraw/zinc/78/40/68/908784068.db2.gz YNHWOYAWDDOOBH-JQWIXIFHSA-N 2 1 293.371 -0.483 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001426059575 908813966 /nfs/dbraw/zinc/81/39/66/908813966.db2.gz PGZUTVSLCZQYAH-STQMWFEESA-N 2 1 287.404 -0.524 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001426059575 908813982 /nfs/dbraw/zinc/81/39/82/908813982.db2.gz PGZUTVSLCZQYAH-STQMWFEESA-N 2 1 287.404 -0.524 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001426059575 908813996 /nfs/dbraw/zinc/81/39/96/908813996.db2.gz PGZUTVSLCZQYAH-STQMWFEESA-N 2 1 287.404 -0.524 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001426059575 908814015 /nfs/dbraw/zinc/81/40/15/908814015.db2.gz PGZUTVSLCZQYAH-STQMWFEESA-N 2 1 287.404 -0.524 20 0 CBADMP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001426087295 908830000 /nfs/dbraw/zinc/83/00/00/908830000.db2.gz KYHJGJSOPAZHDI-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001426087295 908830014 /nfs/dbraw/zinc/83/00/14/908830014.db2.gz KYHJGJSOPAZHDI-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001426087295 908830030 /nfs/dbraw/zinc/83/00/30/908830030.db2.gz KYHJGJSOPAZHDI-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001426087295 908830050 /nfs/dbraw/zinc/83/00/50/908830050.db2.gz KYHJGJSOPAZHDI-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001426087313 908832650 /nfs/dbraw/zinc/83/26/50/908832650.db2.gz KYHJGJSOPAZHDI-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001426087313 908832669 /nfs/dbraw/zinc/83/26/69/908832669.db2.gz KYHJGJSOPAZHDI-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001426087313 908832687 /nfs/dbraw/zinc/83/26/87/908832687.db2.gz KYHJGJSOPAZHDI-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001426087313 908832704 /nfs/dbraw/zinc/83/27/04/908832704.db2.gz KYHJGJSOPAZHDI-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001426087301 908833523 /nfs/dbraw/zinc/83/35/23/908833523.db2.gz KYHJGJSOPAZHDI-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001426087301 908833541 /nfs/dbraw/zinc/83/35/41/908833541.db2.gz KYHJGJSOPAZHDI-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001426087301 908833554 /nfs/dbraw/zinc/83/35/54/908833554.db2.gz KYHJGJSOPAZHDI-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001426087301 908833567 /nfs/dbraw/zinc/83/35/67/908833567.db2.gz KYHJGJSOPAZHDI-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001426238051 908849068 /nfs/dbraw/zinc/84/90/68/908849068.db2.gz JGWWHPSBDHBVSB-VOMCLLRMSA-N 2 1 282.388 -0.737 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCCN(C)C(=O)CC[NH+](C)C ZINC001429256332 909219015 /nfs/dbraw/zinc/21/90/15/909219015.db2.gz NGDYYRWXAWUYKA-UHFFFAOYSA-N 2 1 295.387 -0.282 20 0 CBADMP C[NH+](C)CCC(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001430293571 909322838 /nfs/dbraw/zinc/32/28/38/909322838.db2.gz BSLBNHZXQNVXDA-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001430297109 909324062 /nfs/dbraw/zinc/32/40/62/909324062.db2.gz XNNJYBVUXRIWNV-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC(=O)N1CCC1 ZINC001505885711 921495274 /nfs/dbraw/zinc/49/52/74/921495274.db2.gz BIWHTKAGEXITDM-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)CC(=O)N1CCC1 ZINC001505885711 921495280 /nfs/dbraw/zinc/49/52/80/921495280.db2.gz BIWHTKAGEXITDM-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)CC(=O)N1CCC1 ZINC001505885711 921495284 /nfs/dbraw/zinc/49/52/84/921495284.db2.gz BIWHTKAGEXITDM-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)CC(=O)N1CCC1 ZINC001505885711 921495290 /nfs/dbraw/zinc/49/52/90/921495290.db2.gz BIWHTKAGEXITDM-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CC[NH+](C)C ZINC001431417746 909457888 /nfs/dbraw/zinc/45/78/88/909457888.db2.gz OXWHPSVELNRDAF-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001431692659 909524424 /nfs/dbraw/zinc/52/44/24/909524424.db2.gz JSRUGJFFWZAVFT-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)[C@@H](C)C(N)=O ZINC001505935322 921506675 /nfs/dbraw/zinc/50/66/75/921506675.db2.gz FNPSAPVMDBGWDN-QWRGUYRKSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001505935322 921506677 /nfs/dbraw/zinc/50/66/77/921506677.db2.gz FNPSAPVMDBGWDN-QWRGUYRKSA-N 2 1 284.404 -0.219 20 0 CBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3(O)CCOC3)C2)CC1 ZINC001433667449 909808129 /nfs/dbraw/zinc/80/81/29/909808129.db2.gz AFUUCHYXPWSJQL-WFASDCNBSA-N 2 1 297.399 -0.578 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@]3(O)CCOC3)C2)CC1 ZINC001433667449 909808146 /nfs/dbraw/zinc/80/81/46/909808146.db2.gz AFUUCHYXPWSJQL-WFASDCNBSA-N 2 1 297.399 -0.578 20 0 CBADMP C[NH+]1CCC(O)(CNC(=O)CC[N@H+]2CC[C@H](F)C2)CC1 ZINC001433731174 909835973 /nfs/dbraw/zinc/83/59/73/909835973.db2.gz HICZJCHYPMAHJF-LBPRGKRZSA-N 2 1 287.379 -0.007 20 0 CBADMP Cc1nn[nH]c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001434281823 910075079 /nfs/dbraw/zinc/07/50/79/910075079.db2.gz IRQDETMKGCWEPW-VXGBXAGGSA-N 2 1 294.403 -0.075 20 0 CBADMP C[NH+](C)CC1(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)CC1 ZINC001434337434 910103845 /nfs/dbraw/zinc/10/38/45/910103845.db2.gz ZRQPBLQTYAWMEY-QWHCGFSZSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001434383601 910141728 /nfs/dbraw/zinc/14/17/28/910141728.db2.gz HIXVTMSLGSNQGQ-IUODEOHRSA-N 2 1 297.399 -0.578 20 0 CBADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](CO)[C@@H](CCO)C1)C1CC1 ZINC001434497603 910241242 /nfs/dbraw/zinc/24/12/42/910241242.db2.gz LKDNCOXTFCNWEB-SCRDCRAPSA-N 2 1 272.389 -0.636 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](CO)[C@@H](CCO)C1)C1CC1 ZINC001434497603 910241259 /nfs/dbraw/zinc/24/12/59/910241259.db2.gz LKDNCOXTFCNWEB-SCRDCRAPSA-N 2 1 272.389 -0.636 20 0 CBADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](CO)[C@@H](CCO)C1)C1CC1 ZINC001434497603 910241269 /nfs/dbraw/zinc/24/12/69/910241269.db2.gz LKDNCOXTFCNWEB-SCRDCRAPSA-N 2 1 272.389 -0.636 20 0 CBADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H](CO)[C@@H](CCO)C1)C1CC1 ZINC001434497603 910241276 /nfs/dbraw/zinc/24/12/76/910241276.db2.gz LKDNCOXTFCNWEB-SCRDCRAPSA-N 2 1 272.389 -0.636 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001436337839 910425731 /nfs/dbraw/zinc/42/57/31/910425731.db2.gz FKPASAPQMJGLIH-XQQFMLRXSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC(N)=O ZINC001436481402 910445019 /nfs/dbraw/zinc/44/50/19/910445019.db2.gz LEEIAGVGFMGOQQ-AGIUHOORSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@H+]1CC(N)=O ZINC001436481402 910445030 /nfs/dbraw/zinc/44/50/30/910445030.db2.gz LEEIAGVGFMGOQQ-AGIUHOORSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC(N)=O ZINC001436481402 910445038 /nfs/dbraw/zinc/44/50/38/910445038.db2.gz LEEIAGVGFMGOQQ-AGIUHOORSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC[NH+]1CC(N)=O ZINC001436481402 910445048 /nfs/dbraw/zinc/44/50/48/910445048.db2.gz LEEIAGVGFMGOQQ-AGIUHOORSA-N 2 1 296.415 -0.075 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436729923 910478167 /nfs/dbraw/zinc/47/81/67/910478167.db2.gz GYDVMHSOKAWULH-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436729923 910478184 /nfs/dbraw/zinc/47/81/84/910478184.db2.gz GYDVMHSOKAWULH-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001436836070 910492444 /nfs/dbraw/zinc/49/24/44/910492444.db2.gz AGXMYOVRWQHNFW-GFCCVEGCSA-N 2 1 284.404 -0.406 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001436876524 910496920 /nfs/dbraw/zinc/49/69/20/910496920.db2.gz PLLXIDFRJZKVOV-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001437006833 910526445 /nfs/dbraw/zinc/52/64/45/910526445.db2.gz JZCNLMIKUNWXBW-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001437006833 910526459 /nfs/dbraw/zinc/52/64/59/910526459.db2.gz JZCNLMIKUNWXBW-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001437006833 910526477 /nfs/dbraw/zinc/52/64/77/910526477.db2.gz JZCNLMIKUNWXBW-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001437006833 910526489 /nfs/dbraw/zinc/52/64/89/910526489.db2.gz JZCNLMIKUNWXBW-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001437120638 910552504 /nfs/dbraw/zinc/55/25/04/910552504.db2.gz FCSFOXFKYUTONQ-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCn1cccn1 ZINC001437130412 910559280 /nfs/dbraw/zinc/55/92/80/910559280.db2.gz XFSBWXFPWFNREJ-STQMWFEESA-N 2 1 295.387 -0.692 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCn1cccn1 ZINC001437130412 910559289 /nfs/dbraw/zinc/55/92/89/910559289.db2.gz XFSBWXFPWFNREJ-STQMWFEESA-N 2 1 295.387 -0.692 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCN1CCNC1=O ZINC001437263163 910600055 /nfs/dbraw/zinc/60/00/55/910600055.db2.gz RKGSDQJHJMPDLB-VXGBXAGGSA-N 2 1 297.403 -0.942 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001437260116 910602462 /nfs/dbraw/zinc/60/24/62/910602462.db2.gz KZACXTCWOHYQJT-NXEZZACHSA-N 2 1 281.360 -0.580 20 0 CBADMP CN(CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)N(C)C1CC1 ZINC001437445871 910640790 /nfs/dbraw/zinc/64/07/90/910640790.db2.gz BMFRCIOWLNDTKD-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)[C@H]1CCCNC1=O ZINC001437472539 910656856 /nfs/dbraw/zinc/65/68/56/910656856.db2.gz QCQYYHMUEMBGJX-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)[C@H]1CCCNC1=O ZINC001437472539 910656860 /nfs/dbraw/zinc/65/68/60/910656860.db2.gz QCQYYHMUEMBGJX-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CC(=O)NCC[N@H+](C)[C@H]1CCCNC1=O)C1CCC1 ZINC001437472539 910656863 /nfs/dbraw/zinc/65/68/63/910656863.db2.gz QCQYYHMUEMBGJX-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CC(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O)C1CCC1 ZINC001437472539 910656871 /nfs/dbraw/zinc/65/68/71/910656871.db2.gz QCQYYHMUEMBGJX-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001437516499 910673715 /nfs/dbraw/zinc/67/37/15/910673715.db2.gz SOCRWEYMHOAWDO-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001437516499 910673720 /nfs/dbraw/zinc/67/37/20/910673720.db2.gz SOCRWEYMHOAWDO-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001437554696 910680615 /nfs/dbraw/zinc/68/06/15/910680615.db2.gz IZRLKSGYEIUCNC-QWRGUYRKSA-N 2 1 272.393 -0.506 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001437554696 910680635 /nfs/dbraw/zinc/68/06/35/910680635.db2.gz IZRLKSGYEIUCNC-QWRGUYRKSA-N 2 1 272.393 -0.506 20 0 CBADMP CCC[N@H+](C)CCC(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001437558136 910682713 /nfs/dbraw/zinc/68/27/13/910682713.db2.gz VXPKRGDJJMNARQ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001437558136 910682717 /nfs/dbraw/zinc/68/27/17/910682717.db2.gz VXPKRGDJJMNARQ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CCC(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001437558136 910682722 /nfs/dbraw/zinc/68/27/22/910682722.db2.gz VXPKRGDJJMNARQ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001437558136 910682727 /nfs/dbraw/zinc/68/27/27/910682727.db2.gz VXPKRGDJJMNARQ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)C(=O)NC ZINC001437623457 910700462 /nfs/dbraw/zinc/70/04/62/910700462.db2.gz XSAMSOOGANYSDX-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)C(=O)NC ZINC001437623457 910700472 /nfs/dbraw/zinc/70/04/72/910700472.db2.gz XSAMSOOGANYSDX-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)[C@H]1CCCN(C)C1=O ZINC001437616965 910703818 /nfs/dbraw/zinc/70/38/18/910703818.db2.gz AXWIISHVTSDGQS-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001437683925 910719637 /nfs/dbraw/zinc/71/96/37/910719637.db2.gz VLRZVQWOLPNYHR-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001437683925 910719651 /nfs/dbraw/zinc/71/96/51/910719651.db2.gz VLRZVQWOLPNYHR-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001437697848 910728133 /nfs/dbraw/zinc/72/81/33/910728133.db2.gz IBPHIGKNTKDHLR-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001437697848 910728143 /nfs/dbraw/zinc/72/81/43/910728143.db2.gz IBPHIGKNTKDHLR-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001437697848 910728150 /nfs/dbraw/zinc/72/81/50/910728150.db2.gz IBPHIGKNTKDHLR-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001437697848 910728164 /nfs/dbraw/zinc/72/81/64/910728164.db2.gz IBPHIGKNTKDHLR-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC ZINC001437768054 910743942 /nfs/dbraw/zinc/74/39/42/910743942.db2.gz MWVPGXHEGIBGAP-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)C(=O)NC ZINC001437768054 910743960 /nfs/dbraw/zinc/74/39/60/910743960.db2.gz MWVPGXHEGIBGAP-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC ZINC001437768054 910743975 /nfs/dbraw/zinc/74/39/75/910743975.db2.gz MWVPGXHEGIBGAP-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1nncn1C ZINC001437840903 910765632 /nfs/dbraw/zinc/76/56/32/910765632.db2.gz HJAKFCQCBSJMEA-RYUDHWBXSA-N 2 1 294.403 -0.124 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)c1nncn1C ZINC001437840903 910765647 /nfs/dbraw/zinc/76/56/47/910765647.db2.gz HJAKFCQCBSJMEA-RYUDHWBXSA-N 2 1 294.403 -0.124 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC001437841990 910767307 /nfs/dbraw/zinc/76/73/07/910767307.db2.gz ICEUQSLMUPWIOO-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001437932493 910778785 /nfs/dbraw/zinc/77/87/85/910778785.db2.gz MTDHLKBFSDLACI-OCCSQVGLSA-N 2 1 298.431 -0.114 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001438146377 910831963 /nfs/dbraw/zinc/83/19/63/910831963.db2.gz PHWOJSLNEYHMMI-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001438146377 910831977 /nfs/dbraw/zinc/83/19/77/910831977.db2.gz PHWOJSLNEYHMMI-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP CCN(C(=O)CC[NH+]1CCOCC1)[C@@H]1CC[N@H+](CCO)C1 ZINC001438263030 910856865 /nfs/dbraw/zinc/85/68/65/910856865.db2.gz ASXOMLXMZCXJAT-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP CCN(C(=O)CC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001438263030 910856885 /nfs/dbraw/zinc/85/68/85/910856885.db2.gz ASXOMLXMZCXJAT-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001438267344 910858980 /nfs/dbraw/zinc/85/89/80/910858980.db2.gz OJKUCTGMJKPFNP-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001438267344 910858989 /nfs/dbraw/zinc/85/89/89/910858989.db2.gz OJKUCTGMJKPFNP-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@](C[NH2+]CC(N)=O)(NC(=O)CCc1cnc[nH]1)C1CC1 ZINC001438422437 910891020 /nfs/dbraw/zinc/89/10/20/910891020.db2.gz SFISQHGEXVWOBR-AWEZNQCLSA-N 2 1 293.371 -0.298 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001438525524 910911547 /nfs/dbraw/zinc/91/15/47/910911547.db2.gz ZRHOFDOHOKJPQJ-JHJVBQTASA-N 2 1 287.404 -0.570 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH+](CCCO)CCO2)C1 ZINC001438588829 910926908 /nfs/dbraw/zinc/92/69/08/910926908.db2.gz KZWLRYIQHPHQER-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH+](CCCO)CCO2)C1 ZINC001438588829 910926918 /nfs/dbraw/zinc/92/69/18/910926918.db2.gz KZWLRYIQHPHQER-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)C1 ZINC001438588829 910926930 /nfs/dbraw/zinc/92/69/30/910926930.db2.gz KZWLRYIQHPHQER-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)C1 ZINC001438588829 910926940 /nfs/dbraw/zinc/92/69/40/910926940.db2.gz KZWLRYIQHPHQER-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001438637502 910939748 /nfs/dbraw/zinc/93/97/48/910939748.db2.gz OPKGHHDLRHULQE-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001506829158 921623223 /nfs/dbraw/zinc/62/32/23/921623223.db2.gz TYADLYFNQCUUBI-ZSOGYDGISA-N 2 1 292.383 -0.132 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001506829158 921623231 /nfs/dbraw/zinc/62/32/31/921623231.db2.gz TYADLYFNQCUUBI-ZSOGYDGISA-N 2 1 292.383 -0.132 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001438843091 910976110 /nfs/dbraw/zinc/97/61/10/910976110.db2.gz SSERMMUPHUYBIF-STQMWFEESA-N 2 1 298.431 -0.243 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)CCC[NH+](C)C ZINC001438903394 910989923 /nfs/dbraw/zinc/98/99/23/910989923.db2.gz BSWYMIRTSFFCJN-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)CCC[NH+](C)C ZINC001438903394 910989935 /nfs/dbraw/zinc/98/99/35/910989935.db2.gz BSWYMIRTSFFCJN-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001438935253 911002307 /nfs/dbraw/zinc/00/23/07/911002307.db2.gz BMPFGOLJTZRCLO-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001438935253 911002322 /nfs/dbraw/zinc/00/23/22/911002322.db2.gz BMPFGOLJTZRCLO-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H](O)C[NH2+]CC1CC1 ZINC001439031460 911069179 /nfs/dbraw/zinc/06/91/79/911069179.db2.gz KULSTZYQUOTENR-CYBMUJFWSA-N 2 1 285.388 -0.815 20 0 CBADMP Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439048013 911073547 /nfs/dbraw/zinc/07/35/47/911073547.db2.gz TVMQOBHCXUXNHR-VXGBXAGGSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CC[NH2+][C@@H](C)C(N)=O ZINC001439067461 911084637 /nfs/dbraw/zinc/08/46/37/911084637.db2.gz DXUPYAHTRNXEAU-UWVGGRQHSA-N 2 1 281.360 -0.450 20 0 CBADMP CCn1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001439101077 911101189 /nfs/dbraw/zinc/10/11/89/911101189.db2.gz JGUZCJPGXNRCAJ-YPMHNXCESA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001439101077 911101198 /nfs/dbraw/zinc/10/11/98/911101198.db2.gz JGUZCJPGXNRCAJ-YPMHNXCESA-N 2 1 294.403 -0.014 20 0 CBADMP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001439223130 911150077 /nfs/dbraw/zinc/15/00/77/911150077.db2.gz QLSADQHGWJLBBB-CMPLNLGQSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnon1)NC(=O)C12CC[NH+](CC1)C2 ZINC001439269349 911160836 /nfs/dbraw/zinc/16/08/36/911160836.db2.gz SXFKQAUEHYKPSL-JTQLQIEISA-N 2 1 279.344 -0.240 20 0 CBADMP O=C(N[C@H]1C[C@H](C[NH2+]CCO)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001506902285 921638598 /nfs/dbraw/zinc/63/85/98/921638598.db2.gz GMIUICCFNJYJRP-YDHLFZDLSA-N 2 1 281.400 -0.051 20 0 CBADMP CC(C)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001439412855 911206591 /nfs/dbraw/zinc/20/65/91/911206591.db2.gz VQNPYHRZKBHZCK-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001439412855 911206605 /nfs/dbraw/zinc/20/66/05/911206605.db2.gz VQNPYHRZKBHZCK-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439412855 911206614 /nfs/dbraw/zinc/20/66/14/911206614.db2.gz VQNPYHRZKBHZCK-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439412855 911206629 /nfs/dbraw/zinc/20/66/29/911206629.db2.gz VQNPYHRZKBHZCK-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001439529055 911233129 /nfs/dbraw/zinc/23/31/29/911233129.db2.gz PPKZJOIMDVMVET-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001439529055 911233151 /nfs/dbraw/zinc/23/31/51/911233151.db2.gz PPKZJOIMDVMVET-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001439529055 911233170 /nfs/dbraw/zinc/23/31/70/911233170.db2.gz PPKZJOIMDVMVET-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001439529055 911233188 /nfs/dbraw/zinc/23/31/88/911233188.db2.gz PPKZJOIMDVMVET-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001439607131 911260112 /nfs/dbraw/zinc/26/01/12/911260112.db2.gz LEKRJFRXUSZTDB-IJLUTSLNSA-N 2 1 296.415 -0.301 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001439853154 911296770 /nfs/dbraw/zinc/29/67/70/911296770.db2.gz GHQUPZUZYIYOCZ-OAHLLOKOSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001439853154 911296777 /nfs/dbraw/zinc/29/67/77/911296777.db2.gz GHQUPZUZYIYOCZ-OAHLLOKOSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001439853154 911296787 /nfs/dbraw/zinc/29/67/87/911296787.db2.gz GHQUPZUZYIYOCZ-OAHLLOKOSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001439853154 911296800 /nfs/dbraw/zinc/29/68/00/911296800.db2.gz GHQUPZUZYIYOCZ-OAHLLOKOSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+](CC(=O)NC[C@]1(O)CC[NH+](CCF)C1)C1CCC1 ZINC001439992587 911335026 /nfs/dbraw/zinc/33/50/26/911335026.db2.gz UHVKZOFKKPOANS-CQSZACIVSA-N 2 1 287.379 -0.007 20 0 CBADMP C[N@@H+](CC(=O)NC[C@]1(O)CC[NH+](CCF)C1)C1CCC1 ZINC001439992587 911335046 /nfs/dbraw/zinc/33/50/46/911335046.db2.gz UHVKZOFKKPOANS-CQSZACIVSA-N 2 1 287.379 -0.007 20 0 CBADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@H+](CCF)C1)C1CCC1 ZINC001439992587 911335063 /nfs/dbraw/zinc/33/50/63/911335063.db2.gz UHVKZOFKKPOANS-CQSZACIVSA-N 2 1 287.379 -0.007 20 0 CBADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@@H+](CCF)C1)C1CCC1 ZINC001439992587 911335085 /nfs/dbraw/zinc/33/50/85/911335085.db2.gz UHVKZOFKKPOANS-CQSZACIVSA-N 2 1 287.379 -0.007 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001439991645 911336142 /nfs/dbraw/zinc/33/61/42/911336142.db2.gz QULLJQVZJVOYJV-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001440008911 911340183 /nfs/dbraw/zinc/34/01/83/911340183.db2.gz CFCAURXFSXQVFW-ZFWWWQNUSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001440008911 911340207 /nfs/dbraw/zinc/34/02/07/911340207.db2.gz CFCAURXFSXQVFW-ZFWWWQNUSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001440008911 911340223 /nfs/dbraw/zinc/34/02/23/911340223.db2.gz CFCAURXFSXQVFW-ZFWWWQNUSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001440010365 911340356 /nfs/dbraw/zinc/34/03/56/911340356.db2.gz MOLLSXVRZZBMJI-SWLSCSKDSA-N 2 1 299.415 -0.738 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001440013696 911348334 /nfs/dbraw/zinc/34/83/34/911348334.db2.gz VBKSKPUWEGEGSR-HNNXBMFYSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)CC[N@H+]1C ZINC001440168268 911391150 /nfs/dbraw/zinc/39/11/50/911391150.db2.gz ACXVOMWUYZZDGW-NFAWXSAZSA-N 2 1 299.415 -0.738 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[N@H+](CCO)C2)CC[NH+]1C ZINC001440168268 911391174 /nfs/dbraw/zinc/39/11/74/911391174.db2.gz ACXVOMWUYZZDGW-NFAWXSAZSA-N 2 1 299.415 -0.738 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)CC[NH+]1C ZINC001440168268 911391194 /nfs/dbraw/zinc/39/11/94/911391194.db2.gz ACXVOMWUYZZDGW-NFAWXSAZSA-N 2 1 299.415 -0.738 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)CCC[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001440432919 911453947 /nfs/dbraw/zinc/45/39/47/911453947.db2.gz NBAJQMWUWGFLHS-ZDUSSCGKSA-N 2 1 286.420 -0.162 20 0 CBADMP CN(CCC[N@H+](C)CCO)C(=O)CC[NH+]1CCOCC1 ZINC001440471143 911456719 /nfs/dbraw/zinc/45/67/19/911456719.db2.gz VANIHGMKJUKDOS-UHFFFAOYSA-N 2 1 287.404 -0.519 20 0 CBADMP CN(CCC[N@@H+](C)CCO)C(=O)CC[NH+]1CCOCC1 ZINC001440471143 911456728 /nfs/dbraw/zinc/45/67/28/911456728.db2.gz VANIHGMKJUKDOS-UHFFFAOYSA-N 2 1 287.404 -0.519 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CCC[N@@H+](C)[C@H](C)C(N)=O ZINC001440485431 911463919 /nfs/dbraw/zinc/46/39/19/911463919.db2.gz VIIUEKFIRSIKGX-LLVKDONJSA-N 2 1 295.387 -0.154 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CCC[N@H+](C)[C@H](C)C(N)=O ZINC001440485431 911463927 /nfs/dbraw/zinc/46/39/27/911463927.db2.gz VIIUEKFIRSIKGX-LLVKDONJSA-N 2 1 295.387 -0.154 20 0 CBADMP CC[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001440561119 911470362 /nfs/dbraw/zinc/47/03/62/911470362.db2.gz SPSIHRLJAUDREP-OAHLLOKOSA-N 2 1 299.415 -0.328 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@H](C)[NH2+]CCO)C1 ZINC001440677861 911490842 /nfs/dbraw/zinc/49/08/42/911490842.db2.gz LKZGKGLIAOALLD-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@H](C)[NH2+]CCO)C1 ZINC001440677861 911490846 /nfs/dbraw/zinc/49/08/46/911490846.db2.gz LKZGKGLIAOALLD-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP C[N@@H+](CC(=O)NCCN1CC[NH+](C)CC1)[C@@H]1CCC[C@H]1O ZINC001440736771 911501779 /nfs/dbraw/zinc/50/17/79/911501779.db2.gz GYGHEEIYXOBRIF-ZIAGYGMSSA-N 2 1 298.431 -0.805 20 0 CBADMP CNC(=O)C[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001440767078 911507905 /nfs/dbraw/zinc/50/79/05/911507905.db2.gz YBCFVFRUDQDXTN-PNESKVBLSA-N 2 1 296.415 -0.441 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001440863471 911531911 /nfs/dbraw/zinc/53/19/11/911531911.db2.gz WCXGZBFDYWQQKF-QWRGUYRKSA-N 2 1 272.393 -0.445 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001440863464 911535179 /nfs/dbraw/zinc/53/51/79/911535179.db2.gz WCXGZBFDYWQQKF-GHMZBOCLSA-N 2 1 272.393 -0.445 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)CC(N)=O ZINC001440955233 911562428 /nfs/dbraw/zinc/56/24/28/911562428.db2.gz BWSRLSJHYNBFJI-TUAOUCFPSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)CC(N)=O ZINC001440955233 911562443 /nfs/dbraw/zinc/56/24/43/911562443.db2.gz BWSRLSJHYNBFJI-TUAOUCFPSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)CC(N)=O ZINC001440955233 911562455 /nfs/dbraw/zinc/56/24/55/911562455.db2.gz BWSRLSJHYNBFJI-TUAOUCFPSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)CC(N)=O ZINC001440955233 911562469 /nfs/dbraw/zinc/56/24/69/911562469.db2.gz BWSRLSJHYNBFJI-TUAOUCFPSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[N@@H+](C)C[C@H](C)O ZINC001440994432 911572779 /nfs/dbraw/zinc/57/27/79/911572779.db2.gz IFXWDXFFGDSEIW-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[N@H+](C)C[C@H](C)O ZINC001440994432 911572790 /nfs/dbraw/zinc/57/27/90/911572790.db2.gz IFXWDXFFGDSEIW-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@@H+](CC(=O)NCCN1CC[NH+](CCO)CC1)C1CCC1 ZINC001441056667 911599532 /nfs/dbraw/zinc/59/95/32/911599532.db2.gz KRMVEOASCVXPAO-UHFFFAOYSA-N 2 1 298.431 -0.803 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001441199771 911623432 /nfs/dbraw/zinc/62/34/32/911623432.db2.gz FEKDLLJXYXJYJH-RYUDHWBXSA-N 2 1 282.388 -0.560 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001441274778 911637995 /nfs/dbraw/zinc/63/79/95/911637995.db2.gz BTHXXEVFVKQQKW-KKOKHZNYSA-N 2 1 282.388 -0.894 20 0 CBADMP 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 911640974 /nfs/dbraw/zinc/64/09/74/911640974.db2.gz DUFUOFPEIGHLOX-LPWJVIDDSA-N 2 1 296.415 -0.504 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001441302905 911640989 /nfs/dbraw/zinc/64/09/89/911640989.db2.gz DUFUOFPEIGHLOX-LPWJVIDDSA-N 2 1 296.415 -0.504 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001441302905 911641004 /nfs/dbraw/zinc/64/10/04/911641004.db2.gz DUFUOFPEIGHLOX-LPWJVIDDSA-N 2 1 296.415 -0.504 20 0 CBADMP 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 911642249 /nfs/dbraw/zinc/64/22/49/911642249.db2.gz DUFUOFPEIGHLOX-ZDEQEGDKSA-N 2 1 296.415 -0.504 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001441302928 911642252 /nfs/dbraw/zinc/64/22/52/911642252.db2.gz DUFUOFPEIGHLOX-ZDEQEGDKSA-N 2 1 296.415 -0.504 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001441302928 911642256 /nfs/dbraw/zinc/64/22/56/911642256.db2.gz DUFUOFPEIGHLOX-ZDEQEGDKSA-N 2 1 296.415 -0.504 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C1)C(N)=O ZINC001441413724 911667015 /nfs/dbraw/zinc/66/70/15/911667015.db2.gz HBQNLNVHIOYAJU-IJLUTSLNSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C2CC2)CC[N@H+]1C ZINC001441451802 911673904 /nfs/dbraw/zinc/67/39/04/911673904.db2.gz YUOJKJPHOWTOHN-RTXFEEFZSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cn(C)nn1 ZINC001441584728 911712068 /nfs/dbraw/zinc/71/20/68/911712068.db2.gz CWNUKCGYWAUIPY-LLVKDONJSA-N 2 1 282.392 -0.297 20 0 CBADMP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001441657981 911725471 /nfs/dbraw/zinc/72/54/71/911725471.db2.gz YOWBYRQADMFNJC-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](CO)[NH2+]CCF ZINC001441714375 911762945 /nfs/dbraw/zinc/76/29/45/911762945.db2.gz IHKJRXRILRSQGZ-RYUDHWBXSA-N 2 1 275.368 -0.103 20 0 CBADMP CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001441749079 911776586 /nfs/dbraw/zinc/77/65/86/911776586.db2.gz IFNUZOBXRXIEJK-NWDGAFQWSA-N 2 1 280.372 -0.159 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001441783900 911802784 /nfs/dbraw/zinc/80/27/84/911802784.db2.gz INBCFWYZXQGHTD-JQWIXIFHSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001441783900 911802795 /nfs/dbraw/zinc/80/27/95/911802795.db2.gz INBCFWYZXQGHTD-JQWIXIFHSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ncnn1C ZINC001507152542 921692850 /nfs/dbraw/zinc/69/28/50/921692850.db2.gz CUUXVFZJFSUHCT-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]C/C=C\Cl)C1 ZINC001441797653 911811046 /nfs/dbraw/zinc/81/10/46/911811046.db2.gz QNFKNZWLERRRPF-MTCWXPTMSA-N 2 1 275.780 -0.243 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]C/C=C\Cl)C1 ZINC001441797663 911811794 /nfs/dbraw/zinc/81/17/94/911811794.db2.gz QNFKNZWLERRRPF-TWLCVDABSA-N 2 1 275.780 -0.243 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001441826689 911824877 /nfs/dbraw/zinc/82/48/77/911824877.db2.gz NEZQGUXLRQTRRP-CHWSQXEVSA-N 2 1 287.404 -0.570 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CC[NH+](C)C ZINC001441834794 911829928 /nfs/dbraw/zinc/82/99/28/911829928.db2.gz JHIIPIBRAFQEGX-WDEREUQCSA-N 2 1 295.391 -0.759 20 0 CBADMP C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CC[NH+](C)C ZINC001441834793 911831364 /nfs/dbraw/zinc/83/13/64/911831364.db2.gz JHIIPIBRAFQEGX-QWRGUYRKSA-N 2 1 295.391 -0.759 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC001441869535 911840294 /nfs/dbraw/zinc/84/02/94/911840294.db2.gz PTXMBQJJAUQGSX-DOMZBBRYSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC001441869535 911840313 /nfs/dbraw/zinc/84/03/13/911840313.db2.gz PTXMBQJJAUQGSX-DOMZBBRYSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001441869535 911840326 /nfs/dbraw/zinc/84/03/26/911840326.db2.gz PTXMBQJJAUQGSX-DOMZBBRYSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001441869535 911840334 /nfs/dbraw/zinc/84/03/34/911840334.db2.gz PTXMBQJJAUQGSX-DOMZBBRYSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2)[NH+](C)C ZINC001441876309 911845259 /nfs/dbraw/zinc/84/52/59/911845259.db2.gz PXKJNEJSLQZVSS-SLEUVZQESA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2)[NH+](C)C ZINC001441876309 911845272 /nfs/dbraw/zinc/84/52/72/911845272.db2.gz PXKJNEJSLQZVSS-SLEUVZQESA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001441943628 911863181 /nfs/dbraw/zinc/86/31/81/911863181.db2.gz WWGVFJGDHMYMJL-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H](O)C[NH2+][C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001441980794 911880917 /nfs/dbraw/zinc/88/09/17/911880917.db2.gz AOFFADWHROMHQG-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001442053659 911910873 /nfs/dbraw/zinc/91/08/73/911910873.db2.gz QMIRXGFNVFJTCZ-QWRGUYRKSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001442053659 911910885 /nfs/dbraw/zinc/91/08/85/911910885.db2.gz QMIRXGFNVFJTCZ-QWRGUYRKSA-N 2 1 280.376 -0.639 20 0 CBADMP CC(C)[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)[NH+](C)C ZINC001442089822 911927089 /nfs/dbraw/zinc/92/70/89/911927089.db2.gz GQBVSDABCXBHKC-CHWSQXEVSA-N 2 1 289.420 -0.684 20 0 CBADMP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001442139436 911937694 /nfs/dbraw/zinc/93/76/94/911937694.db2.gz OZTMCROGYDJKBH-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001442146386 911938223 /nfs/dbraw/zinc/93/82/23/911938223.db2.gz BUYCVWIFOQHODU-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[N@@H+](CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001442183685 911948261 /nfs/dbraw/zinc/94/82/61/911948261.db2.gz JSNOJLGDVAJDNT-UHFFFAOYSA-N 2 1 285.388 -0.861 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001442335810 911975555 /nfs/dbraw/zinc/97/55/55/911975555.db2.gz DUPYTGDCDPBSNA-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001442350209 911981309 /nfs/dbraw/zinc/98/13/09/911981309.db2.gz JPCNKFPGOYJUBY-AAEUAGOBSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001442383797 911994367 /nfs/dbraw/zinc/99/43/67/911994367.db2.gz WMGKFCRJAUHMGA-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001442383797 911994388 /nfs/dbraw/zinc/99/43/88/911994388.db2.gz WMGKFCRJAUHMGA-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001442383797 911994412 /nfs/dbraw/zinc/99/44/12/911994412.db2.gz WMGKFCRJAUHMGA-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001442383797 911994427 /nfs/dbraw/zinc/99/44/27/911994427.db2.gz WMGKFCRJAUHMGA-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+](CCCO)CCNC(=O)CC[NH+]1CCOCC1 ZINC001442554582 912047372 /nfs/dbraw/zinc/04/73/72/912047372.db2.gz MDSIZOZHHISDMQ-UHFFFAOYSA-N 2 1 273.377 -0.861 20 0 CBADMP C[N@@H+](CCCO)CCNC(=O)CC[NH+]1CCOCC1 ZINC001442554582 912047381 /nfs/dbraw/zinc/04/73/81/912047381.db2.gz MDSIZOZHHISDMQ-UHFFFAOYSA-N 2 1 273.377 -0.861 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC ZINC001442651862 912075323 /nfs/dbraw/zinc/07/53/23/912075323.db2.gz KVPKKLZBDYQKFJ-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC ZINC001442651862 912075341 /nfs/dbraw/zinc/07/53/41/912075341.db2.gz KVPKKLZBDYQKFJ-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)NC ZINC001442651862 912075359 /nfs/dbraw/zinc/07/53/59/912075359.db2.gz KVPKKLZBDYQKFJ-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)NC ZINC001442651862 912075378 /nfs/dbraw/zinc/07/53/78/912075378.db2.gz KVPKKLZBDYQKFJ-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)[C@@H](C)C(N)=O ZINC001442675818 912079471 /nfs/dbraw/zinc/07/94/71/912079471.db2.gz OVMLLSDUVLLYGZ-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)[C@@H](C)C(N)=O ZINC001442675818 912079484 /nfs/dbraw/zinc/07/94/84/912079484.db2.gz OVMLLSDUVLLYGZ-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+](C)C1CCC1)[C@@H](C)C(N)=O ZINC001442675818 912079494 /nfs/dbraw/zinc/07/94/94/912079494.db2.gz OVMLLSDUVLLYGZ-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)[C@@H](C)C(N)=O ZINC001442675818 912079506 /nfs/dbraw/zinc/07/95/06/912079506.db2.gz OVMLLSDUVLLYGZ-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP Cn1cncc1CC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001442812314 912109148 /nfs/dbraw/zinc/10/91/48/912109148.db2.gz RGRAABDRIZJVBO-GFCCVEGCSA-N 2 1 280.372 -0.074 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001442908759 912124345 /nfs/dbraw/zinc/12/43/45/912124345.db2.gz RPDCDZZKHHVMLD-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001442908759 912124352 /nfs/dbraw/zinc/12/43/52/912124352.db2.gz RPDCDZZKHHVMLD-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001442908759 912124357 /nfs/dbraw/zinc/12/43/57/912124357.db2.gz RPDCDZZKHHVMLD-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001442908757 912125777 /nfs/dbraw/zinc/12/57/77/912125777.db2.gz RPDCDZZKHHVMLD-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001442908757 912125781 /nfs/dbraw/zinc/12/57/81/912125781.db2.gz RPDCDZZKHHVMLD-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001442908757 912125786 /nfs/dbraw/zinc/12/57/86/912125786.db2.gz RPDCDZZKHHVMLD-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC001442922332 912129408 /nfs/dbraw/zinc/12/94/08/912129408.db2.gz QEGUTAKUFZDLAC-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC001442922332 912129415 /nfs/dbraw/zinc/12/94/15/912129415.db2.gz QEGUTAKUFZDLAC-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)N(C)C ZINC001442922332 912129422 /nfs/dbraw/zinc/12/94/22/912129422.db2.gz QEGUTAKUFZDLAC-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)N(C)C ZINC001442922332 912129428 /nfs/dbraw/zinc/12/94/28/912129428.db2.gz QEGUTAKUFZDLAC-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C ZINC001443086373 912150587 /nfs/dbraw/zinc/15/05/87/912150587.db2.gz BTCIKNUHSCRXFZ-NSHDSACASA-N 2 1 295.387 -0.284 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001443107779 912158563 /nfs/dbraw/zinc/15/85/63/912158563.db2.gz ZDXOAQGYNJWXBU-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001443116936 912160930 /nfs/dbraw/zinc/16/09/30/912160930.db2.gz KMPIGCXAPGDOOI-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001443275370 912174925 /nfs/dbraw/zinc/17/49/25/912174925.db2.gz UJCSLNCINMMGSH-LBPRGKRZSA-N 2 1 293.371 -0.495 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443275370 912174932 /nfs/dbraw/zinc/17/49/32/912174932.db2.gz UJCSLNCINMMGSH-LBPRGKRZSA-N 2 1 293.371 -0.495 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001507329479 921811942 /nfs/dbraw/zinc/81/19/42/921811942.db2.gz VJRIBPMYMHBIAI-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH+]1CCC(O)CC1)[C@@H]1CCC[C@H]1O ZINC001468123251 915272622 /nfs/dbraw/zinc/27/26/22/915272622.db2.gz XJTIGDDLHROBDF-ZIAGYGMSSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+](C)CC1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1 ZINC001468179619 915278791 /nfs/dbraw/zinc/27/87/91/915278791.db2.gz WZLUJWQIXNWQRX-CHWSQXEVSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001468765761 915326639 /nfs/dbraw/zinc/32/66/39/915326639.db2.gz JQFDWEVWDFTGMI-UONOGXRCSA-N 2 1 297.447 -0.032 20 0 CBADMP CC[N@@H+]1CC[C@H]1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001471374154 915581881 /nfs/dbraw/zinc/58/18/81/915581881.db2.gz PNOYNVJCSNPJAO-WCQYABFASA-N 2 1 255.362 -0.394 20 0 CBADMP CC[N@H+]1CC[C@H]1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001471374154 915581891 /nfs/dbraw/zinc/58/18/91/915581891.db2.gz PNOYNVJCSNPJAO-WCQYABFASA-N 2 1 255.362 -0.394 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCOC2CCC2)C1 ZINC001507261408 921790498 /nfs/dbraw/zinc/79/04/98/921790498.db2.gz SBTMXZSQOLVZTG-CHWSQXEVSA-N 2 1 299.415 -0.426 20 0 CBADMP CC(C)[C@@H](C(=O)N1CC([NH2+]C2COC2)C1)[NH+](C)C ZINC001472157407 915703414 /nfs/dbraw/zinc/70/34/14/915703414.db2.gz QAJDHIVRYWMQGR-LBPRGKRZSA-N 2 1 255.362 -0.228 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001507264683 921791672 /nfs/dbraw/zinc/79/16/72/921791672.db2.gz KXCFRPGTRFSIJN-NEPJUHHUSA-N 2 1 275.368 -0.103 20 0 CBADMP CCO[C@@H](CNc1nc(N)nc(N)[nH+]1)C[NH+](C)C ZINC001472872020 915777611 /nfs/dbraw/zinc/77/76/11/915777611.db2.gz HPIXEHXDTNJWJJ-ZETCQYMHSA-N 2 1 255.326 -0.585 20 0 CBADMP C[C@H](O)[C@H](C)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001473149869 915799630 /nfs/dbraw/zinc/79/96/30/915799630.db2.gz VNQFCWBJDNWLQI-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[N@@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC001473547129 915833014 /nfs/dbraw/zinc/83/30/14/915833014.db2.gz WABGDRGVFBFKEF-YPMHNXCESA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@@H]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC001473547129 915833026 /nfs/dbraw/zinc/83/30/26/915833026.db2.gz WABGDRGVFBFKEF-YPMHNXCESA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@@H]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC001473547129 915833035 /nfs/dbraw/zinc/83/30/35/915833035.db2.gz WABGDRGVFBFKEF-YPMHNXCESA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC001473547129 915833041 /nfs/dbraw/zinc/83/30/41/915833041.db2.gz WABGDRGVFBFKEF-YPMHNXCESA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC001473547129 915833052 /nfs/dbraw/zinc/83/30/52/915833052.db2.gz WABGDRGVFBFKEF-YPMHNXCESA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC001473547129 915833066 /nfs/dbraw/zinc/83/30/66/915833066.db2.gz WABGDRGVFBFKEF-YPMHNXCESA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC001473547129 915833081 /nfs/dbraw/zinc/83/30/81/915833081.db2.gz WABGDRGVFBFKEF-YPMHNXCESA-N 2 1 269.389 -0.148 20 0 CBADMP Cn1cncc1CC[N@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001473892454 915878806 /nfs/dbraw/zinc/87/88/06/915878806.db2.gz KANPDRIEPARQIK-VXGBXAGGSA-N 2 1 253.346 -0.115 20 0 CBADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC001477868215 916021728 /nfs/dbraw/zinc/02/17/28/916021728.db2.gz HAVBGRCJYHQUOY-ZIAGYGMSSA-N 2 1 297.447 -0.032 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001479357225 916121077 /nfs/dbraw/zinc/12/10/77/916121077.db2.gz FEVLEVUIXJCMDB-MGPQQGTHSA-N 2 1 299.415 -0.426 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001479489973 916133174 /nfs/dbraw/zinc/13/31/74/916133174.db2.gz VYMQIFODNWCYDC-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001479652817 916148328 /nfs/dbraw/zinc/14/83/28/916148328.db2.gz XGBQFRBVAACPTG-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001479652817 916148335 /nfs/dbraw/zinc/14/83/35/916148335.db2.gz XGBQFRBVAACPTG-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001479652817 916148340 /nfs/dbraw/zinc/14/83/40/916148340.db2.gz XGBQFRBVAACPTG-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001479652817 916148350 /nfs/dbraw/zinc/14/83/50/916148350.db2.gz XGBQFRBVAACPTG-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1 ZINC001479672759 916149939 /nfs/dbraw/zinc/14/99/39/916149939.db2.gz NYMYDIMKRAXCQL-OLZOCXBDSA-N 2 1 296.415 -0.406 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001479672759 916149955 /nfs/dbraw/zinc/14/99/55/916149955.db2.gz NYMYDIMKRAXCQL-OLZOCXBDSA-N 2 1 296.415 -0.406 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001479672759 916149963 /nfs/dbraw/zinc/14/99/63/916149963.db2.gz NYMYDIMKRAXCQL-OLZOCXBDSA-N 2 1 296.415 -0.406 20 0 CBADMP COCCC[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001479763139 916165082 /nfs/dbraw/zinc/16/50/82/916165082.db2.gz HQGBPQRJYDGGMG-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP COCCC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001479763139 916165089 /nfs/dbraw/zinc/16/50/89/916165089.db2.gz HQGBPQRJYDGGMG-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP COCCC[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001479763139 916165094 /nfs/dbraw/zinc/16/50/94/916165094.db2.gz HQGBPQRJYDGGMG-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP COCCC[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001479763139 916165100 /nfs/dbraw/zinc/16/51/00/916165100.db2.gz HQGBPQRJYDGGMG-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001479812696 916186632 /nfs/dbraw/zinc/18/66/32/916186632.db2.gz RAXUMERDAWGNOO-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001479812696 916186640 /nfs/dbraw/zinc/18/66/40/916186640.db2.gz RAXUMERDAWGNOO-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001479812696 916186657 /nfs/dbraw/zinc/18/66/57/916186657.db2.gz RAXUMERDAWGNOO-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)C[NH+](C)C(C)C ZINC001479815736 916187224 /nfs/dbraw/zinc/18/72/24/916187224.db2.gz MHHBATINOLMENO-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCCNC(=O)C[N@H+](C)C(C)C ZINC001479815736 916187232 /nfs/dbraw/zinc/18/72/32/916187232.db2.gz MHHBATINOLMENO-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCCNC(=O)C[N@@H+](C)C(C)C ZINC001479815736 916187242 /nfs/dbraw/zinc/18/72/42/916187242.db2.gz MHHBATINOLMENO-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+](CCCO)C2CC2)C1 ZINC001479866289 916195283 /nfs/dbraw/zinc/19/52/83/916195283.db2.gz KTJTZDZTAIKYMX-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH+](CCCO)C2CC2)C1 ZINC001479866289 916195297 /nfs/dbraw/zinc/19/52/97/916195297.db2.gz KTJTZDZTAIKYMX-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCCC[N@H+](CCCO)C2CC2)C1 ZINC001479866289 916195307 /nfs/dbraw/zinc/19/53/07/916195307.db2.gz KTJTZDZTAIKYMX-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCCC[N@@H+](CCCO)C2CC2)C1 ZINC001479866289 916195315 /nfs/dbraw/zinc/19/53/15/916195315.db2.gz KTJTZDZTAIKYMX-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH+](CCO)C2CC2)C1 ZINC001479880952 916201001 /nfs/dbraw/zinc/20/10/01/916201001.db2.gz NBGBWYLVDNNTRC-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH+](CCO)C2CC2)C1 ZINC001479880952 916201014 /nfs/dbraw/zinc/20/10/14/916201014.db2.gz NBGBWYLVDNNTRC-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCCC[N@H+](CCO)C2CC2)C1 ZINC001479880952 916201030 /nfs/dbraw/zinc/20/10/30/916201030.db2.gz NBGBWYLVDNNTRC-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCCC[N@@H+](CCO)C2CC2)C1 ZINC001479880952 916201047 /nfs/dbraw/zinc/20/10/47/916201047.db2.gz NBGBWYLVDNNTRC-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH+](CC(N)=O)C2CC2)C1 ZINC001479876751 916203900 /nfs/dbraw/zinc/20/39/00/916203900.db2.gz VCFPJCRYCFTRDV-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCCC[N@H+](CC(N)=O)C2CC2)C1 ZINC001479876751 916203918 /nfs/dbraw/zinc/20/39/18/916203918.db2.gz VCFPJCRYCFTRDV-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCCC[N@@H+](CC(N)=O)C2CC2)C1 ZINC001479876751 916203935 /nfs/dbraw/zinc/20/39/35/916203935.db2.gz VCFPJCRYCFTRDV-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP COCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001479949125 916241680 /nfs/dbraw/zinc/24/16/80/916241680.db2.gz GIAGOETYMSCZTH-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP COCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001479949125 916241696 /nfs/dbraw/zinc/24/16/96/916241696.db2.gz GIAGOETYMSCZTH-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP COCCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001479949125 916241713 /nfs/dbraw/zinc/24/17/13/916241713.db2.gz GIAGOETYMSCZTH-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP COCCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001479949125 916241729 /nfs/dbraw/zinc/24/17/29/916241729.db2.gz GIAGOETYMSCZTH-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001480009681 916259631 /nfs/dbraw/zinc/25/96/31/916259631.db2.gz ZHWOSQLQZVRXLH-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)N(C)C ZINC001480132220 916300681 /nfs/dbraw/zinc/30/06/81/916300681.db2.gz QZHBFAAIMDNIOB-LPWJVIDDSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCOCCO)C2)CC[N@H+]1C ZINC001480138151 916304546 /nfs/dbraw/zinc/30/45/46/916304546.db2.gz FQZIGIOMMQLDSC-AAVRWANBSA-N 2 1 299.415 -0.428 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480208512 916328338 /nfs/dbraw/zinc/32/83/38/916328338.db2.gz VHBWGWQCBVCPMR-PHIMTYICSA-N 2 1 282.388 -0.547 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001480233583 916336436 /nfs/dbraw/zinc/33/64/36/916336436.db2.gz HJRZMOLBDAMEGY-UTUOFQBUSA-N 2 1 257.378 -0.054 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1cnnn1C ZINC001480503046 916444284 /nfs/dbraw/zinc/44/42/84/916444284.db2.gz ORPRJRXCFHZTQC-JTQLQIEISA-N 2 1 291.359 -0.385 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1nncn1C ZINC001480536949 916458516 /nfs/dbraw/zinc/45/85/16/916458516.db2.gz KUORDRZOAQELCH-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1nncn1C ZINC001480536949 916458529 /nfs/dbraw/zinc/45/85/29/916458529.db2.gz KUORDRZOAQELCH-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001480554045 916468248 /nfs/dbraw/zinc/46/82/48/916468248.db2.gz HRAOXUUZFNGZPL-GHMZBOCLSA-N 2 1 295.387 -0.060 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001480576666 916484562 /nfs/dbraw/zinc/48/45/62/916484562.db2.gz KAPUAKUXFCDRHE-WDEREUQCSA-N 2 1 270.377 -0.689 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480590822 916486647 /nfs/dbraw/zinc/48/66/47/916486647.db2.gz VNCDLSBHRXHIPJ-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001480595474 916487369 /nfs/dbraw/zinc/48/73/69/916487369.db2.gz AXONGYRCIJMPIC-SNVBAGLBSA-N 2 1 283.380 -0.855 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001480595474 916487380 /nfs/dbraw/zinc/48/73/80/916487380.db2.gz AXONGYRCIJMPIC-SNVBAGLBSA-N 2 1 283.380 -0.855 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001480597543 916488374 /nfs/dbraw/zinc/48/83/74/916488374.db2.gz QVZHWZJQPJPTJT-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP COCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001480638645 916506277 /nfs/dbraw/zinc/50/62/77/916506277.db2.gz MTRLXMHPTJRKCY-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP COCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001480638645 916506283 /nfs/dbraw/zinc/50/62/83/916506283.db2.gz MTRLXMHPTJRKCY-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001480779608 916535861 /nfs/dbraw/zinc/53/58/61/916535861.db2.gz HYLBJSBFRKFIEP-ZYHUDNBSSA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@H](CCNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]CC(N)=O ZINC001480775200 916536172 /nfs/dbraw/zinc/53/61/72/916536172.db2.gz BKLRJCWGEXVJDH-SECBINFHSA-N 2 1 297.359 -0.681 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001480790847 916542299 /nfs/dbraw/zinc/54/22/99/916542299.db2.gz RTGASCTYCBETHK-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480849106 916570389 /nfs/dbraw/zinc/57/03/89/916570389.db2.gz MYHFQDSDRODQCO-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480849106 916570399 /nfs/dbraw/zinc/57/03/99/916570399.db2.gz MYHFQDSDRODQCO-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480849106 916570409 /nfs/dbraw/zinc/57/04/09/916570409.db2.gz MYHFQDSDRODQCO-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480849106 916570411 /nfs/dbraw/zinc/57/04/11/916570411.db2.gz MYHFQDSDRODQCO-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001480907805 916626789 /nfs/dbraw/zinc/62/67/89/916626789.db2.gz IJHQSFIFUZDMCZ-SNVBAGLBSA-N 2 1 258.366 -0.879 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001480907805 916626810 /nfs/dbraw/zinc/62/68/10/916626810.db2.gz IJHQSFIFUZDMCZ-SNVBAGLBSA-N 2 1 258.366 -0.879 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480934602 916646083 /nfs/dbraw/zinc/64/60/83/916646083.db2.gz BPHBYGNAKGTYRG-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480934602 916646091 /nfs/dbraw/zinc/64/60/91/916646091.db2.gz BPHBYGNAKGTYRG-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480934602 916646102 /nfs/dbraw/zinc/64/61/02/916646102.db2.gz BPHBYGNAKGTYRG-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001480934602 916646110 /nfs/dbraw/zinc/64/61/10/916646110.db2.gz BPHBYGNAKGTYRG-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001480951419 916653327 /nfs/dbraw/zinc/65/33/27/916653327.db2.gz AFLMMJKZIVILAU-SNVBAGLBSA-N 2 1 258.366 -0.752 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480946838 916652371 /nfs/dbraw/zinc/65/23/71/916652371.db2.gz WZMHZWWYNYHHLO-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480946838 916652381 /nfs/dbraw/zinc/65/23/81/916652381.db2.gz WZMHZWWYNYHHLO-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480946838 916652387 /nfs/dbraw/zinc/65/23/87/916652387.db2.gz WZMHZWWYNYHHLO-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480946838 916652396 /nfs/dbraw/zinc/65/23/96/916652396.db2.gz WZMHZWWYNYHHLO-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001480951419 916653322 /nfs/dbraw/zinc/65/33/22/916653322.db2.gz AFLMMJKZIVILAU-SNVBAGLBSA-N 2 1 258.366 -0.752 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001480951419 916653303 /nfs/dbraw/zinc/65/33/03/916653303.db2.gz AFLMMJKZIVILAU-SNVBAGLBSA-N 2 1 258.366 -0.752 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001480951419 916653310 /nfs/dbraw/zinc/65/33/10/916653310.db2.gz AFLMMJKZIVILAU-SNVBAGLBSA-N 2 1 258.366 -0.752 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@@H](C)O ZINC001481017124 916687292 /nfs/dbraw/zinc/68/72/92/916687292.db2.gz ZIAHIQPKLXESQO-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@H+](CCNC(=O)CC[NH+](C)C)CC(=O)N1CCC1 ZINC001480998235 916679917 /nfs/dbraw/zinc/67/99/17/916679917.db2.gz UOXSMVXIMKJVKR-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)CC(=O)N1CCC1 ZINC001480998235 916679925 /nfs/dbraw/zinc/67/99/25/916679925.db2.gz UOXSMVXIMKJVKR-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)CC(=O)NC ZINC001481018870 916685608 /nfs/dbraw/zinc/68/56/08/916685608.db2.gz HRKRILPGMQWGQG-UHFFFAOYSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)CC(=O)NC ZINC001481018870 916685616 /nfs/dbraw/zinc/68/56/16/916685616.db2.gz HRKRILPGMQWGQG-UHFFFAOYSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)CC(=O)NC ZINC001481018870 916685626 /nfs/dbraw/zinc/68/56/26/916685626.db2.gz HRKRILPGMQWGQG-UHFFFAOYSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)CC(=O)NC ZINC001481018870 916685636 /nfs/dbraw/zinc/68/56/36/916685636.db2.gz HRKRILPGMQWGQG-UHFFFAOYSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@@H](C)O ZINC001481017124 916687280 /nfs/dbraw/zinc/68/72/80/916687280.db2.gz ZIAHIQPKLXESQO-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@@H](C)O ZINC001481017124 916687284 /nfs/dbraw/zinc/68/72/84/916687284.db2.gz ZIAHIQPKLXESQO-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001481228878 916777706 /nfs/dbraw/zinc/77/77/06/916777706.db2.gz KOEZPEGLHRNECM-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C ZINC001481257460 916790239 /nfs/dbraw/zinc/79/02/39/916790239.db2.gz FZOCPUHBRXLSTR-LBPRGKRZSA-N 2 1 295.387 -0.284 20 0 CBADMP COC[C@H](O)C[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001481279735 916805368 /nfs/dbraw/zinc/80/53/68/916805368.db2.gz KGASXUAAZXESPP-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@H](O)C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001481314769 916813095 /nfs/dbraw/zinc/81/30/95/916813095.db2.gz LAYJBNLVXHUCAT-GFCCVEGCSA-N 2 1 284.360 -0.753 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001481315305 916814420 /nfs/dbraw/zinc/81/44/20/916814420.db2.gz VSMNPCFRAJGGBO-LLVKDONJSA-N 2 1 279.344 -0.872 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001481656475 916928913 /nfs/dbraw/zinc/92/89/13/916928913.db2.gz UWSBWTGJHLIIIC-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001481656475 916928923 /nfs/dbraw/zinc/92/89/23/916928923.db2.gz UWSBWTGJHLIIIC-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001481676381 916941371 /nfs/dbraw/zinc/94/13/71/916941371.db2.gz DVZXIQZPVSYQSF-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001481693143 916952082 /nfs/dbraw/zinc/95/20/82/916952082.db2.gz KBFSPFVTTRATMQ-AVGNSLFASA-N 2 1 296.415 -0.252 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001481693143 916952095 /nfs/dbraw/zinc/95/20/95/916952095.db2.gz KBFSPFVTTRATMQ-AVGNSLFASA-N 2 1 296.415 -0.252 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481706097 916958362 /nfs/dbraw/zinc/95/83/62/916958362.db2.gz RHKAEJCIQCCKGT-YNEHKIRRSA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481706097 916958371 /nfs/dbraw/zinc/95/83/71/916958371.db2.gz RHKAEJCIQCCKGT-YNEHKIRRSA-N 2 1 298.431 -0.102 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001481752065 916976046 /nfs/dbraw/zinc/97/60/46/916976046.db2.gz VCLYXGLHRJUQJF-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)Cn1cc[nH+]c1C ZINC001481879126 917011783 /nfs/dbraw/zinc/01/17/83/917011783.db2.gz NAPOXFMVZIUIRC-LBPRGKRZSA-N 2 1 295.387 -0.188 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC(N)=O)CC1 ZINC001481996870 917028844 /nfs/dbraw/zinc/02/88/44/917028844.db2.gz OAOOGOAXWMOPFU-ZDUSSCGKSA-N 2 1 296.415 -0.216 20 0 CBADMP COCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482087186 917048425 /nfs/dbraw/zinc/04/84/25/917048425.db2.gz IVYIGYILYNTFSL-QWHCGFSZSA-N 2 1 287.404 -0.305 20 0 CBADMP COCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482087186 917048434 /nfs/dbraw/zinc/04/84/34/917048434.db2.gz IVYIGYILYNTFSL-QWHCGFSZSA-N 2 1 287.404 -0.305 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ncnn1C ZINC001482086079 917049843 /nfs/dbraw/zinc/04/98/43/917049843.db2.gz WKPTXCDITYCLDT-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001482121289 917060191 /nfs/dbraw/zinc/06/01/91/917060191.db2.gz GIVBJPADAWUVPP-LLVKDONJSA-N 2 1 295.387 -0.330 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001482155162 917065453 /nfs/dbraw/zinc/06/54/53/917065453.db2.gz CSMOBSWJULPFOK-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)N(C)C ZINC001482167048 917071512 /nfs/dbraw/zinc/07/15/12/917071512.db2.gz AEBVOIKNJBGWML-RYUDHWBXSA-N 2 1 284.404 -0.632 20 0 CBADMP COCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482169753 917071685 /nfs/dbraw/zinc/07/16/85/917071685.db2.gz VWOVLOFUHCPHBA-NEPJUHHUSA-N 2 1 257.378 -0.074 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482200642 917092331 /nfs/dbraw/zinc/09/23/31/917092331.db2.gz ZEEVOPLMBQZTTK-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482200642 917092347 /nfs/dbraw/zinc/09/23/47/917092347.db2.gz ZEEVOPLMBQZTTK-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001482381599 917139334 /nfs/dbraw/zinc/13/93/34/917139334.db2.gz XYTBWPUSEIVCGV-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)[C@H](C)N(C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001482587150 917167275 /nfs/dbraw/zinc/16/72/75/917167275.db2.gz ZJTNWURCHRARFW-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001482587150 917167296 /nfs/dbraw/zinc/16/72/96/917167296.db2.gz ZJTNWURCHRARFW-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482587150 917167306 /nfs/dbraw/zinc/16/73/06/917167306.db2.gz ZJTNWURCHRARFW-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001482587150 917167316 /nfs/dbraw/zinc/16/73/16/917167316.db2.gz ZJTNWURCHRARFW-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP CCCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001482757762 917255376 /nfs/dbraw/zinc/25/53/76/917255376.db2.gz QIPVBGCEKDVNFL-NWDGAFQWSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@@H](CC[NH2+]CCCO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001482816679 917301391 /nfs/dbraw/zinc/30/13/91/917301391.db2.gz IRMORNQKXCLDFN-NWDGAFQWSA-N 2 1 257.378 -0.053 20 0 CBADMP CC(C)OCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482790677 917285704 /nfs/dbraw/zinc/28/57/04/917285704.db2.gz HKFPJXIIZAUVSP-STQMWFEESA-N 2 1 287.404 -0.570 20 0 CBADMP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C)no1 ZINC001482797713 917287667 /nfs/dbraw/zinc/28/76/67/917287667.db2.gz BQNCAVIBYQVFRA-CYBMUJFWSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C)no1 ZINC001482797713 917287681 /nfs/dbraw/zinc/28/76/81/917287681.db2.gz BQNCAVIBYQVFRA-CYBMUJFWSA-N 2 1 298.387 -0.110 20 0 CBADMP C[C@@H](CC[NH2+]CCO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482887692 917323832 /nfs/dbraw/zinc/32/38/32/917323832.db2.gz DYOXAVLLZMXPQG-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H](CC[NH2+]CCO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482887695 917325400 /nfs/dbraw/zinc/32/54/00/917325400.db2.gz DYOXAVLLZMXPQG-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC(N)=O ZINC001482901027 917329650 /nfs/dbraw/zinc/32/96/50/917329650.db2.gz IKIJTILJHAKHSS-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP CCN(CC[NH2+]C[C@H](O)COC)C(=O)[C@H]1CCC[N@H+]1C ZINC001482941971 917346092 /nfs/dbraw/zinc/34/60/92/917346092.db2.gz DGDHTCVITOJGOT-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C ZINC001482941943 917348257 /nfs/dbraw/zinc/34/82/57/917348257.db2.gz CJAYQDREPXAJST-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(CC[NH2+]C[C@H](C)O)C(=O)CC[NH+]1CCOCC1 ZINC001482956931 917352416 /nfs/dbraw/zinc/35/24/16/917352416.db2.gz USOGUBGAXGWUAI-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[C@H]([NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001482966709 917352446 /nfs/dbraw/zinc/35/24/46/917352446.db2.gz HETCYOAMKGFOFX-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CCOCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482993011 917362818 /nfs/dbraw/zinc/36/28/18/917362818.db2.gz NAVIOWGDXGSLTQ-IHVVCDCBSA-N 2 1 285.388 -0.385 20 0 CBADMP CCOCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482993011 917362827 /nfs/dbraw/zinc/36/28/27/917362827.db2.gz NAVIOWGDXGSLTQ-IHVVCDCBSA-N 2 1 285.388 -0.385 20 0 CBADMP COC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482993429 917363094 /nfs/dbraw/zinc/36/30/94/917363094.db2.gz RUDAXFDXLKBIRZ-QITAHTHBSA-N 2 1 285.388 -0.386 20 0 CBADMP COC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482993429 917363106 /nfs/dbraw/zinc/36/31/06/917363106.db2.gz RUDAXFDXLKBIRZ-QITAHTHBSA-N 2 1 285.388 -0.386 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001483046021 917385489 /nfs/dbraw/zinc/38/54/89/917385489.db2.gz ASVGYWSUZDWJDF-UFFNRZRYSA-N 2 1 268.361 -0.782 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC/C=C/C[NH2+][C@@H]1CCN(C)C1=O ZINC001483097186 917408807 /nfs/dbraw/zinc/40/88/07/917408807.db2.gz ITHXRNPCJBVIGF-URWSZGRFSA-N 2 1 296.415 -0.181 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001483137065 917429346 /nfs/dbraw/zinc/42/93/46/917429346.db2.gz JTSWRCHHAKXHSI-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@H](C[NH2+]CCOCCO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483141749 917434963 /nfs/dbraw/zinc/43/49/63/917434963.db2.gz XSKIQYHFHZGVJB-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001483150028 917440946 /nfs/dbraw/zinc/44/09/46/917440946.db2.gz MAFFEMFQCCLBIX-PWSUYJOCSA-N 2 1 293.371 -0.436 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001483185351 917458727 /nfs/dbraw/zinc/45/87/27/917458727.db2.gz HAUHQBFPWWVWTN-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001483197363 917461993 /nfs/dbraw/zinc/46/19/93/917461993.db2.gz HEOCXVIPSOAVRT-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001483198109 917462892 /nfs/dbraw/zinc/46/28/92/917462892.db2.gz XDPRSBBCBSIQRU-GFCCVEGCSA-N 2 1 286.420 -0.055 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483214770 917472535 /nfs/dbraw/zinc/47/25/35/917472535.db2.gz QEGQKPRQPWBSCR-JQWIXIFHSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001483214770 917472542 /nfs/dbraw/zinc/47/25/42/917472542.db2.gz QEGQKPRQPWBSCR-JQWIXIFHSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001483235568 917486511 /nfs/dbraw/zinc/48/65/11/917486511.db2.gz VVPWLZHONWUDTI-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284294 917503210 /nfs/dbraw/zinc/50/32/10/917503210.db2.gz IFYXOYXNNFZNSP-NSHDSACASA-N 2 1 292.387 -0.495 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001483286130 917505122 /nfs/dbraw/zinc/50/51/22/917505122.db2.gz LNUJBZYBABTOCR-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]C[C@H](C)O ZINC001483293950 917511999 /nfs/dbraw/zinc/51/19/99/917511999.db2.gz OOLAHDMLWOCIDI-UWVGGRQHSA-N 2 1 254.334 -0.333 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001483422202 917559974 /nfs/dbraw/zinc/55/99/74/917559974.db2.gz SHTSHNGUQQISDP-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H]1CCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001483422001 917560718 /nfs/dbraw/zinc/56/07/18/917560718.db2.gz SHTSHNGUQQISDP-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCC[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001483484625 917577720 /nfs/dbraw/zinc/57/77/20/917577720.db2.gz QUTXGLBTCIQFMC-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001483683387 917637497 /nfs/dbraw/zinc/63/74/97/917637497.db2.gz ZJETXOSBMYAHCO-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2CCCO)C1 ZINC001483683387 917637509 /nfs/dbraw/zinc/63/75/09/917637509.db2.gz ZJETXOSBMYAHCO-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2CCCO)C1 ZINC001483683387 917637516 /nfs/dbraw/zinc/63/75/16/917637516.db2.gz ZJETXOSBMYAHCO-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@@H+](CC(=O)NCC1([NH2+]CCO)CC1)C1CCC1 ZINC001483741458 917664822 /nfs/dbraw/zinc/66/48/22/917664822.db2.gz STDHHPGFUVIGAW-UHFFFAOYSA-N 2 1 255.362 -0.299 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001483767220 917677284 /nfs/dbraw/zinc/67/72/84/917677284.db2.gz DQVAASYSWCUBTM-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]C[C@@H](C)O)CC1 ZINC001483791561 917680846 /nfs/dbraw/zinc/68/08/46/917680846.db2.gz XVNAAPNTOYDVNM-SNVBAGLBSA-N 2 1 266.345 -0.189 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001483847253 917684098 /nfs/dbraw/zinc/68/40/98/917684098.db2.gz GVEGRSWRQLXDMW-AWEZNQCLSA-N 2 1 282.388 -0.652 20 0 CBADMP Cn1cnnc1C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001483941975 917712785 /nfs/dbraw/zinc/71/27/85/917712785.db2.gz BEURYDYGXORUGW-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]CCO)C1 ZINC001483951657 917713580 /nfs/dbraw/zinc/71/35/80/917713580.db2.gz CHHPYYLEWDNDQS-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@]1(NC(=O)CC[NH+]2CCOCC2)CC[N@H+](CCO)C1 ZINC001484066136 917733458 /nfs/dbraw/zinc/73/34/58/917733458.db2.gz VCSDMZGLIRHFNV-CQSZACIVSA-N 2 1 285.388 -0.718 20 0 CBADMP C[C@@]1(NC(=O)CC[NH+]2CCOCC2)CC[N@@H+](CCO)C1 ZINC001484066136 917733462 /nfs/dbraw/zinc/73/34/62/917733462.db2.gz VCSDMZGLIRHFNV-CQSZACIVSA-N 2 1 285.388 -0.718 20 0 CBADMP CC(C)[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484252629 917789676 /nfs/dbraw/zinc/78/96/76/917789676.db2.gz VZWGYNABIOSQLZ-JSGCOSHPSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484252629 917789665 /nfs/dbraw/zinc/78/96/65/917789665.db2.gz VZWGYNABIOSQLZ-JSGCOSHPSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484252629 917789684 /nfs/dbraw/zinc/78/96/84/917789684.db2.gz VZWGYNABIOSQLZ-JSGCOSHPSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001484368143 917836099 /nfs/dbraw/zinc/83/60/99/917836099.db2.gz BUMLWMAWSPQTNM-NWDGAFQWSA-N 2 1 296.415 -0.360 20 0 CBADMP O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N(CCO)CC[NH2+]CCO ZINC001484495983 917877465 /nfs/dbraw/zinc/87/74/65/917877465.db2.gz IRZXWQDVKVGOSC-ZIAGYGMSSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCO)C2)C1 ZINC001484549491 917884978 /nfs/dbraw/zinc/88/49/78/917884978.db2.gz JDEOTEMDWJWHRB-CHWSQXEVSA-N 2 1 269.389 -0.241 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCO)C2)C1 ZINC001484551724 917885293 /nfs/dbraw/zinc/88/52/93/917885293.db2.gz OQQXEQJQIBRWIF-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCO)C2)C1 ZINC001484551724 917885297 /nfs/dbraw/zinc/88/52/97/917885297.db2.gz OQQXEQJQIBRWIF-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H](O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001485015537 917980410 /nfs/dbraw/zinc/98/04/10/917980410.db2.gz ITRYIBLMJIOZBO-STQMWFEESA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001485076935 917986214 /nfs/dbraw/zinc/98/62/14/917986214.db2.gz PXRFINPYOPDKMH-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001485076935 917986226 /nfs/dbraw/zinc/98/62/26/917986226.db2.gz PXRFINPYOPDKMH-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC1CC(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001485096505 917996121 /nfs/dbraw/zinc/99/61/21/917996121.db2.gz FMPCAZCDKCVZGA-UNXYVOJBSA-N 2 1 293.371 -0.450 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001485159696 918014641 /nfs/dbraw/zinc/01/46/41/918014641.db2.gz ZBVJFBZNXWNRAN-WDEREUQCSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@@H]([NH2+]CCO)[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001485166363 918019526 /nfs/dbraw/zinc/01/95/26/918019526.db2.gz BEVHHKZHBWCPBS-ZJUUUORDSA-N 2 1 284.360 -0.175 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)CCO ZINC001485314748 918074856 /nfs/dbraw/zinc/07/48/56/918074856.db2.gz UPKXXKZGLGUDQZ-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)CCO ZINC001485314748 918074866 /nfs/dbraw/zinc/07/48/66/918074866.db2.gz UPKXXKZGLGUDQZ-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)CCO ZINC001485314748 918074879 /nfs/dbraw/zinc/07/48/79/918074879.db2.gz UPKXXKZGLGUDQZ-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CC(=O)N(C)C ZINC001485352315 918087665 /nfs/dbraw/zinc/08/76/65/918087665.db2.gz YJGLBSQHOBUGPB-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)CC(=O)N(C)C ZINC001485352315 918087677 /nfs/dbraw/zinc/08/76/77/918087677.db2.gz YJGLBSQHOBUGPB-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)CC(=O)N(C)C ZINC001485352315 918087690 /nfs/dbraw/zinc/08/76/90/918087690.db2.gz YJGLBSQHOBUGPB-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)CC(=O)N(C)C ZINC001485352315 918087699 /nfs/dbraw/zinc/08/76/99/918087699.db2.gz YJGLBSQHOBUGPB-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)C(N)=O ZINC001485368036 918097457 /nfs/dbraw/zinc/09/74/57/918097457.db2.gz AGZKCSKKWPZJLR-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)C(N)=O ZINC001485368036 918097471 /nfs/dbraw/zinc/09/74/71/918097471.db2.gz AGZKCSKKWPZJLR-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001485368036 918097483 /nfs/dbraw/zinc/09/74/83/918097483.db2.gz AGZKCSKKWPZJLR-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001485368036 918097493 /nfs/dbraw/zinc/09/74/93/918097493.db2.gz AGZKCSKKWPZJLR-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC(=O)N(C)C ZINC001485376173 918100755 /nfs/dbraw/zinc/10/07/55/918100755.db2.gz RBUCIRZSZJKJJU-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC(=O)N(C)C ZINC001485376173 918100759 /nfs/dbraw/zinc/10/07/59/918100759.db2.gz RBUCIRZSZJKJJU-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC001485376173 918100763 /nfs/dbraw/zinc/10/07/63/918100763.db2.gz RBUCIRZSZJKJJU-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001485376173 918100769 /nfs/dbraw/zinc/10/07/69/918100769.db2.gz RBUCIRZSZJKJJU-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001485704961 918171848 /nfs/dbraw/zinc/17/18/48/918171848.db2.gz HEOFHUIGLDLOJI-WNGYAQOMSA-N 2 1 296.415 -0.171 20 0 CBADMP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001485739725 918176711 /nfs/dbraw/zinc/17/67/11/918176711.db2.gz YWTMZIZNDXMTND-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001485745028 918182317 /nfs/dbraw/zinc/18/23/17/918182317.db2.gz PNBOQUBXOCZMES-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485748948 918182732 /nfs/dbraw/zinc/18/27/32/918182732.db2.gz QEVOSOPFTZTPCQ-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP CC[N@H+](C)CCOCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001485770771 918188271 /nfs/dbraw/zinc/18/82/71/918188271.db2.gz QNLYDZUHHOFPHR-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@@H+](C)CCOCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001485770771 918188279 /nfs/dbraw/zinc/18/82/79/918188279.db2.gz QNLYDZUHHOFPHR-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[NH+](C)CCOCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485770771 918188287 /nfs/dbraw/zinc/18/82/87/918188287.db2.gz QNLYDZUHHOFPHR-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[NH+](C)CCOCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485770771 918188296 /nfs/dbraw/zinc/18/82/96/918188296.db2.gz QNLYDZUHHOFPHR-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001485854818 918208051 /nfs/dbraw/zinc/20/80/51/918208051.db2.gz HKTFSHUEFPNVIS-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001485881292 918216622 /nfs/dbraw/zinc/21/66/22/918216622.db2.gz FGZMIMIBSCKCLO-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001485900469 918223399 /nfs/dbraw/zinc/22/33/99/918223399.db2.gz QTQBNDDJSXKBCG-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001485912975 918227521 /nfs/dbraw/zinc/22/75/21/918227521.db2.gz ADYHCJMSVFCHQX-AGIUHOORSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001485960360 918238633 /nfs/dbraw/zinc/23/86/33/918238633.db2.gz FHQSBOURCFOVTJ-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1cn(C)nn1 ZINC001485956609 918240805 /nfs/dbraw/zinc/24/08/05/918240805.db2.gz YQLQYBIPSXLNFN-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CC(C)OCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001485983711 918274127 /nfs/dbraw/zinc/27/41/27/918274127.db2.gz VJFSLFONHKYLGU-CHWSQXEVSA-N 2 1 287.404 -0.428 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC ZINC001486002009 918293493 /nfs/dbraw/zinc/29/34/93/918293493.db2.gz LMJGQRNOHFBCFI-NWDGAFQWSA-N 2 1 257.378 -0.053 20 0 CBADMP CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001486026758 918318517 /nfs/dbraw/zinc/31/85/17/918318517.db2.gz IGKSAFUVWAOGNJ-VXGBXAGGSA-N 2 1 280.372 -0.159 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CCCO)CC[N@H+]1C ZINC001486028240 918323932 /nfs/dbraw/zinc/32/39/32/918323932.db2.gz UGCWNIDKPHCNII-RWMBFGLXSA-N 2 1 287.404 -0.834 20 0 CBADMP COCC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486053288 918347477 /nfs/dbraw/zinc/34/74/77/918347477.db2.gz XUURCQGFTDLOKY-VXGBXAGGSA-N 2 1 273.377 -0.959 20 0 CBADMP COCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001486297463 918415221 /nfs/dbraw/zinc/41/52/21/918415221.db2.gz SVIOPBDAUVWJPN-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001488781270 918766400 /nfs/dbraw/zinc/76/64/00/918766400.db2.gz KWRZPDANUNPKJZ-OKILXGFUSA-N 2 1 299.415 -0.425 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001488794764 918769453 /nfs/dbraw/zinc/76/94/53/918769453.db2.gz VRCABLAWNXJLEG-SDDRHHMPSA-N 2 1 282.388 -0.832 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001490279530 918885032 /nfs/dbraw/zinc/88/50/32/918885032.db2.gz IRXCDVLDSJAPRN-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCNC1=O ZINC001490279530 918885050 /nfs/dbraw/zinc/88/50/50/918885050.db2.gz IRXCDVLDSJAPRN-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC001490279530 918885067 /nfs/dbraw/zinc/88/50/67/918885067.db2.gz IRXCDVLDSJAPRN-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H](O)C[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001490513971 918923851 /nfs/dbraw/zinc/92/38/51/918923851.db2.gz AWQFYKGPSLZUSA-KBPBESRZSA-N 2 1 298.431 -0.947 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001490950053 918992856 /nfs/dbraw/zinc/99/28/56/918992856.db2.gz XDEYCDRXCLZXAE-JHJVBQTASA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001491025562 919011730 /nfs/dbraw/zinc/01/17/30/919011730.db2.gz AWBFQXGHHOLFDZ-FVCCEPFGSA-N 2 1 296.415 -0.029 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001491178331 919069579 /nfs/dbraw/zinc/06/95/79/919069579.db2.gz CVRDUVJYWFWHTC-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC1CCOCC1 ZINC001491419975 919150343 /nfs/dbraw/zinc/15/03/43/919150343.db2.gz AOZLGXLHBFSFKR-OCCSQVGLSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC1CCOCC1 ZINC001491419975 919150348 /nfs/dbraw/zinc/15/03/48/919150348.db2.gz AOZLGXLHBFSFKR-OCCSQVGLSA-N 2 1 299.415 -0.162 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCO ZINC001491455451 919171254 /nfs/dbraw/zinc/17/12/54/919171254.db2.gz RFMWAFYJIMSUIB-NEPJUHHUSA-N 2 1 257.378 -0.054 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC ZINC001491474601 919178766 /nfs/dbraw/zinc/17/87/66/919178766.db2.gz VLTXPCNSRLEIAP-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001491529407 919196595 /nfs/dbraw/zinc/19/65/95/919196595.db2.gz RASAPUWAPBSXFD-ONGXEEELSA-N 2 1 279.344 -0.826 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001491557281 919203929 /nfs/dbraw/zinc/20/39/29/919203929.db2.gz BYANQAYNINVKGH-AGIUHOORSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001491671651 919248749 /nfs/dbraw/zinc/24/87/49/919248749.db2.gz BMZHEBQQDDTNPF-MNOVXSKESA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001491672793 919252402 /nfs/dbraw/zinc/25/24/02/919252402.db2.gz JCKDACJDAOHRQJ-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001491858983 919290245 /nfs/dbraw/zinc/29/02/45/919290245.db2.gz NPOSGBHEBYCWEB-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001491858981 919290982 /nfs/dbraw/zinc/29/09/82/919290982.db2.gz NPOSGBHEBYCWEB-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001491858982 919291642 /nfs/dbraw/zinc/29/16/42/919291642.db2.gz NPOSGBHEBYCWEB-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001491876724 919294130 /nfs/dbraw/zinc/29/41/30/919294130.db2.gz IDAZERCKLGXPTF-NWDGAFQWSA-N 2 1 296.415 -0.027 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001492177142 919332770 /nfs/dbraw/zinc/33/27/70/919332770.db2.gz DGROQOGDFJGFKV-CYBMUJFWSA-N 2 1 296.415 -0.072 20 0 CBADMP CCOCC[N@@H+](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001492220418 919358378 /nfs/dbraw/zinc/35/83/78/919358378.db2.gz IHDHRSUONZDFHJ-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CCOCC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492220418 919358392 /nfs/dbraw/zinc/35/83/92/919358392.db2.gz IHDHRSUONZDFHJ-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CCOCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492220418 919358409 /nfs/dbraw/zinc/35/84/09/919358409.db2.gz IHDHRSUONZDFHJ-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CCOCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001492220418 919358433 /nfs/dbraw/zinc/35/84/33/919358433.db2.gz IHDHRSUONZDFHJ-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001492388566 919408819 /nfs/dbraw/zinc/40/88/19/919408819.db2.gz FDXSUXQWQLKIQL-JTQLQIEISA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001492388566 919408821 /nfs/dbraw/zinc/40/88/21/919408821.db2.gz FDXSUXQWQLKIQL-JTQLQIEISA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001492818029 919431244 /nfs/dbraw/zinc/43/12/44/919431244.db2.gz YKGCIZUZYUTWNL-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001492818029 919431249 /nfs/dbraw/zinc/43/12/49/919431249.db2.gz YKGCIZUZYUTWNL-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001492818029 919431255 /nfs/dbraw/zinc/43/12/55/919431255.db2.gz YKGCIZUZYUTWNL-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001492818029 919431258 /nfs/dbraw/zinc/43/12/58/919431258.db2.gz YKGCIZUZYUTWNL-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001492925410 919449521 /nfs/dbraw/zinc/44/95/21/919449521.db2.gz CUQILFBMXAETKH-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001492925410 919449527 /nfs/dbraw/zinc/44/95/27/919449527.db2.gz CUQILFBMXAETKH-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001492925410 919449532 /nfs/dbraw/zinc/44/95/32/919449532.db2.gz CUQILFBMXAETKH-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001493111912 919480784 /nfs/dbraw/zinc/48/07/84/919480784.db2.gz UMZZSBFVBKXJMY-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001493111912 919480786 /nfs/dbraw/zinc/48/07/86/919480786.db2.gz UMZZSBFVBKXJMY-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001493111912 919480792 /nfs/dbraw/zinc/48/07/92/919480792.db2.gz UMZZSBFVBKXJMY-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001493111912 919480798 /nfs/dbraw/zinc/48/07/98/919480798.db2.gz UMZZSBFVBKXJMY-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001493128452 919483156 /nfs/dbraw/zinc/48/31/56/919483156.db2.gz MSPRIEWCGZALLT-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001493128452 919483166 /nfs/dbraw/zinc/48/31/66/919483166.db2.gz MSPRIEWCGZALLT-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001493128442 919484295 /nfs/dbraw/zinc/48/42/95/919484295.db2.gz MSPRIEWCGZALLT-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001493128442 919484282 /nfs/dbraw/zinc/48/42/82/919484282.db2.gz MSPRIEWCGZALLT-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001493128389 919484971 /nfs/dbraw/zinc/48/49/71/919484971.db2.gz LVJADCCVRFSNKG-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001493128389 919484981 /nfs/dbraw/zinc/48/49/81/919484981.db2.gz LVJADCCVRFSNKG-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001493128390 919485813 /nfs/dbraw/zinc/48/58/13/919485813.db2.gz LVJADCCVRFSNKG-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001493128390 919485819 /nfs/dbraw/zinc/48/58/19/919485819.db2.gz LVJADCCVRFSNKG-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001493159578 919490970 /nfs/dbraw/zinc/49/09/70/919490970.db2.gz CMNLQXVACKZUMY-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP O=C(Cc1ncc[nH]1)NC[C@H]1CC[N@H+](CCO)C1 ZINC001493250135 919507868 /nfs/dbraw/zinc/50/78/68/919507868.db2.gz MZKUUZUZGUTGGS-SNVBAGLBSA-N 2 1 252.318 -0.617 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001493252667 919508264 /nfs/dbraw/zinc/50/82/64/919508264.db2.gz OJEYWPWFUHSHKO-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001493235658 919509806 /nfs/dbraw/zinc/50/98/06/919509806.db2.gz XELLTGPBQUAROO-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](CCO)C1 ZINC001493267541 919514003 /nfs/dbraw/zinc/51/40/03/919514003.db2.gz RGFCQUKPHCEBTO-LBPRGKRZSA-N 2 1 257.378 -0.243 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001493267541 919514017 /nfs/dbraw/zinc/51/40/17/919514017.db2.gz RGFCQUKPHCEBTO-LBPRGKRZSA-N 2 1 257.378 -0.243 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001493267541 919514033 /nfs/dbraw/zinc/51/40/33/919514033.db2.gz RGFCQUKPHCEBTO-LBPRGKRZSA-N 2 1 257.378 -0.243 20 0 CBADMP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CC(=O)NC ZINC001493318348 919526056 /nfs/dbraw/zinc/52/60/56/919526056.db2.gz RDIXKYRQOGHBJP-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CC(=O)NC ZINC001493318348 919526069 /nfs/dbraw/zinc/52/60/69/919526069.db2.gz RDIXKYRQOGHBJP-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)CC(=O)NC ZINC001493318348 919526083 /nfs/dbraw/zinc/52/60/83/919526083.db2.gz RDIXKYRQOGHBJP-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)CC(=O)NC ZINC001493318348 919526091 /nfs/dbraw/zinc/52/60/91/919526091.db2.gz RDIXKYRQOGHBJP-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CNC(=O)C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001493436318 919545460 /nfs/dbraw/zinc/54/54/60/919545460.db2.gz SGNRPESLQVLELH-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001493436318 919545469 /nfs/dbraw/zinc/54/54/69/919545469.db2.gz SGNRPESLQVLELH-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001493436318 919545477 /nfs/dbraw/zinc/54/54/77/919545477.db2.gz SGNRPESLQVLELH-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001493436318 919545484 /nfs/dbraw/zinc/54/54/84/919545484.db2.gz SGNRPESLQVLELH-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C[C@@H](C)O)C2CC2)C1 ZINC001493448230 919545673 /nfs/dbraw/zinc/54/56/73/919545673.db2.gz FGCISHPWMGYNMX-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C[C@@H](C)O)C2CC2)C1 ZINC001493448230 919545677 /nfs/dbraw/zinc/54/56/77/919545677.db2.gz FGCISHPWMGYNMX-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C[C@@H](C)O)C2CC2)C1 ZINC001493448230 919545687 /nfs/dbraw/zinc/54/56/87/919545687.db2.gz FGCISHPWMGYNMX-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C[C@@H](C)O)C2CC2)C1 ZINC001493448230 919545694 /nfs/dbraw/zinc/54/56/94/919545694.db2.gz FGCISHPWMGYNMX-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C[C@H](C)O)C2CC2)C1 ZINC001493448225 919546123 /nfs/dbraw/zinc/54/61/23/919546123.db2.gz FGCISHPWMGYNMX-JSGCOSHPSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C[C@H](C)O)C2CC2)C1 ZINC001493448225 919546138 /nfs/dbraw/zinc/54/61/38/919546138.db2.gz FGCISHPWMGYNMX-JSGCOSHPSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C[C@H](C)O)C2CC2)C1 ZINC001493448225 919546152 /nfs/dbraw/zinc/54/61/52/919546152.db2.gz FGCISHPWMGYNMX-JSGCOSHPSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C[C@H](C)O)C2CC2)C1 ZINC001493448225 919546163 /nfs/dbraw/zinc/54/61/63/919546163.db2.gz FGCISHPWMGYNMX-JSGCOSHPSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+]CC(=O)NC2CC2)C1 ZINC001493695805 919609900 /nfs/dbraw/zinc/60/99/00/919609900.db2.gz WFSLUDYIQNDEDN-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001493924491 919635823 /nfs/dbraw/zinc/63/58/23/919635823.db2.gz ZKLNIMSLGJVSTB-XQQFMLRXSA-N 2 1 294.399 -0.498 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001493931692 919637602 /nfs/dbraw/zinc/63/76/02/919637602.db2.gz RMCCKXCVMZOUFX-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP O=C(C[NH+]1CCCC1)NCC[C@@H]1CC[N@H+](CCO)C1 ZINC001494078133 919652356 /nfs/dbraw/zinc/65/23/56/919652356.db2.gz GCKHPJXQZSEJMS-CYBMUJFWSA-N 2 1 269.389 -0.097 20 0 CBADMP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1nnnn1C ZINC001495052037 919852756 /nfs/dbraw/zinc/85/27/56/919852756.db2.gz YBMGLSJSGPANPT-GHMZBOCLSA-N 2 1 297.407 -0.293 20 0 CBADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@H](C)C(N)=O ZINC001495110435 919864010 /nfs/dbraw/zinc/86/40/10/919864010.db2.gz XNCCDRQGSOGBPR-MWLCHTKSSA-N 2 1 281.360 -0.450 20 0 CBADMP CCCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001495106984 919865038 /nfs/dbraw/zinc/86/50/38/919865038.db2.gz JKCQABIWGSYFIW-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC2(C[NH2+]CCO)CCCC2)C1 ZINC001495211657 919874570 /nfs/dbraw/zinc/87/45/70/919874570.db2.gz XUVHQXHXUHOTLF-ZDUSSCGKSA-N 2 1 299.415 -0.282 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC2(C[NH2+]CCO)CCCC2)C1 ZINC001495211657 919874576 /nfs/dbraw/zinc/87/45/76/919874576.db2.gz XUVHQXHXUHOTLF-ZDUSSCGKSA-N 2 1 299.415 -0.282 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001495301401 919883089 /nfs/dbraw/zinc/88/30/89/919883089.db2.gz UHCSOQFEANHTKC-IINYFYTJSA-N 2 1 282.388 -0.702 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001495706375 919931167 /nfs/dbraw/zinc/93/11/67/919931167.db2.gz PRVDYELMMUUJKW-MWLCHTKSSA-N 2 1 281.360 -0.593 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001496055423 920020117 /nfs/dbraw/zinc/02/01/17/920020117.db2.gz LRGQXZGJZNCQDF-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc1cnc[nH]1 ZINC001496084875 920023365 /nfs/dbraw/zinc/02/33/65/920023365.db2.gz YOFCFCIXACAYTD-MNOVXSKESA-N 2 1 295.387 -0.087 20 0 CBADMP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001496260670 920050015 /nfs/dbraw/zinc/05/00/15/920050015.db2.gz CCMQPIAPEGAGRP-RYUDHWBXSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(C)[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]CC(N)=O ZINC001496643959 920101868 /nfs/dbraw/zinc/10/18/68/920101868.db2.gz WWLHSTLUXGUABQ-NSHDSACASA-N 2 1 272.393 -0.458 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001496816082 920139415 /nfs/dbraw/zinc/13/94/15/920139415.db2.gz BZSYNOGDNUAXIC-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001496816082 920139430 /nfs/dbraw/zinc/13/94/30/920139430.db2.gz BZSYNOGDNUAXIC-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496816082 920139436 /nfs/dbraw/zinc/13/94/36/920139436.db2.gz BZSYNOGDNUAXIC-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001496816082 920139453 /nfs/dbraw/zinc/13/94/53/920139453.db2.gz BZSYNOGDNUAXIC-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]CC2CC2)C1 ZINC001497053740 920230656 /nfs/dbraw/zinc/23/06/56/920230656.db2.gz LBJXXDPCQBEGGX-WCQYABFASA-N 2 1 269.389 -0.195 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC2CC2)C1 ZINC001497119339 920253918 /nfs/dbraw/zinc/25/39/18/920253918.db2.gz UNGRJJSPZVAMKF-CHWSQXEVSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC2CC2)C1 ZINC001497119339 920253926 /nfs/dbraw/zinc/25/39/26/920253926.db2.gz UNGRJJSPZVAMKF-CHWSQXEVSA-N 2 1 285.388 -0.816 20 0 CBADMP CNC(=O)C[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001497600587 920347938 /nfs/dbraw/zinc/34/79/38/920347938.db2.gz KNKBVKXIWOVAAY-ITDFMYJTSA-N 2 1 296.415 -0.131 20 0 CBADMP C[C@@H](O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001497650075 920357755 /nfs/dbraw/zinc/35/77/55/920357755.db2.gz NNPWIWQCXZOUFU-BLDJZWNYSA-N 2 1 255.362 -0.277 20 0 CBADMP CCCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001497651844 920364181 /nfs/dbraw/zinc/36/41/81/920364181.db2.gz ZOAWAPAAGGWWKC-MUBLQREKSA-N 2 1 296.415 -0.131 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001497797946 920387904 /nfs/dbraw/zinc/38/79/04/920387904.db2.gz NUYMAIBJMHGQPD-MNOVXSKESA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@H](C[NH2+]CCCO)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001497975918 920432575 /nfs/dbraw/zinc/43/25/75/920432575.db2.gz SXPJVNGIBTYDRR-OCCSQVGLSA-N 2 1 269.389 -0.051 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)C[N@H+](C)C1CCC1 ZINC001498053852 920461825 /nfs/dbraw/zinc/46/18/25/920461825.db2.gz VAWGWIYUKKKEBB-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001498053852 920461843 /nfs/dbraw/zinc/46/18/43/920461843.db2.gz VAWGWIYUKKKEBB-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+]CCCO)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001498118559 920488298 /nfs/dbraw/zinc/48/82/98/920488298.db2.gz RQALELAYGVCUDB-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001498160148 920502843 /nfs/dbraw/zinc/50/28/43/920502843.db2.gz JCRWVSJSHPFPGO-NSHDSACASA-N 2 1 292.387 -0.495 20 0 CBADMP CC[NH+](CC)CC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001498195391 920515071 /nfs/dbraw/zinc/51/50/71/920515071.db2.gz KXGPAFCMGFZNSJ-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001498246616 920529552 /nfs/dbraw/zinc/52/95/52/920529552.db2.gz IZFLKHUUAMUODU-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001498246616 920529559 /nfs/dbraw/zinc/52/95/59/920529559.db2.gz IZFLKHUUAMUODU-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001498246616 920529576 /nfs/dbraw/zinc/52/95/76/920529576.db2.gz IZFLKHUUAMUODU-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001498246616 920529592 /nfs/dbraw/zinc/52/95/92/920529592.db2.gz IZFLKHUUAMUODU-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C[NH+](C)C1CCC1 ZINC001498314233 920549035 /nfs/dbraw/zinc/54/90/35/920549035.db2.gz QTJXEQAVMPGXTA-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C[NH+](C)C1CCC1 ZINC001498314233 920549020 /nfs/dbraw/zinc/54/90/20/920549020.db2.gz QTJXEQAVMPGXTA-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[N@H+](C)C1CCC1 ZINC001498314233 920549054 /nfs/dbraw/zinc/54/90/54/920549054.db2.gz QTJXEQAVMPGXTA-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001498314233 920549065 /nfs/dbraw/zinc/54/90/65/920549065.db2.gz QTJXEQAVMPGXTA-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN1CC[C@H]([N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001498394689 920572147 /nfs/dbraw/zinc/57/21/47/920572147.db2.gz LGHOVPONOSHFKI-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CC[NH+](C)C ZINC001498393357 920572423 /nfs/dbraw/zinc/57/24/23/920572423.db2.gz IRGSUIKDKREXIJ-ZJUUUORDSA-N 2 1 258.366 -0.752 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CC[NH+](C)C ZINC001498393357 920572437 /nfs/dbraw/zinc/57/24/37/920572437.db2.gz IRGSUIKDKREXIJ-ZJUUUORDSA-N 2 1 258.366 -0.752 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CC(N)=O)CC[N@H+]1C ZINC001498550844 920609342 /nfs/dbraw/zinc/60/93/42/920609342.db2.gz YRFKZSFPYSGCEV-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC(N)=O ZINC001498556202 920609669 /nfs/dbraw/zinc/60/96/69/920609669.db2.gz KKXJLIRFLAEGKV-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CN(CCC[NH2+]CC(N)=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001498560433 920610172 /nfs/dbraw/zinc/61/01/72/920610172.db2.gz SQVZEIYFRDSMKA-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CCC[NH2+]CC(N)=O ZINC001498653939 920623495 /nfs/dbraw/zinc/62/34/95/920623495.db2.gz VRMXYLBADVCQCT-UHFFFAOYSA-N 2 1 267.333 -0.885 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CCOCCO)C1 ZINC001499066607 920694122 /nfs/dbraw/zinc/69/41/22/920694122.db2.gz LTKVKNIMWVWANS-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2CCOCCO)C1 ZINC001499066607 920694131 /nfs/dbraw/zinc/69/41/31/920694131.db2.gz LTKVKNIMWVWANS-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2CCOCCO)C1 ZINC001499066607 920694141 /nfs/dbraw/zinc/69/41/41/920694141.db2.gz LTKVKNIMWVWANS-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2CCOCCO)C1 ZINC001499066607 920694152 /nfs/dbraw/zinc/69/41/52/920694152.db2.gz LTKVKNIMWVWANS-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N(C)C)CC2)CC[N@H+]1C ZINC001499231272 920725620 /nfs/dbraw/zinc/72/56/20/920725620.db2.gz XTEXOHFONBARIS-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001499448867 920748548 /nfs/dbraw/zinc/74/85/48/920748548.db2.gz VTVMJBVAEHWZES-NXEZZACHSA-N 2 1 268.361 -0.950 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001499420447 920749095 /nfs/dbraw/zinc/74/90/95/920749095.db2.gz FBRDEHYRYJZWEW-VXGBXAGGSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001499420446 920750153 /nfs/dbraw/zinc/75/01/53/920750153.db2.gz FBRDEHYRYJZWEW-RYUDHWBXSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001499940092 920789936 /nfs/dbraw/zinc/78/99/36/920789936.db2.gz WRQZOWCFFKYMHV-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001500282015 920829297 /nfs/dbraw/zinc/82/92/97/920829297.db2.gz YQZNRXHJDLBIGF-FZMZJTMJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001500282015 920829310 /nfs/dbraw/zinc/82/93/10/920829310.db2.gz YQZNRXHJDLBIGF-FZMZJTMJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)C1 ZINC001500282015 920829330 /nfs/dbraw/zinc/82/93/30/920829330.db2.gz YQZNRXHJDLBIGF-FZMZJTMJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)C1 ZINC001500282015 920829344 /nfs/dbraw/zinc/82/93/44/920829344.db2.gz YQZNRXHJDLBIGF-FZMZJTMJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001500721559 920868899 /nfs/dbraw/zinc/86/88/99/920868899.db2.gz AJVLGGVSEMMDAW-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP CCCN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001500837022 920904931 /nfs/dbraw/zinc/90/49/31/920904931.db2.gz FKEAGYNYJSAJIX-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001500837022 920904939 /nfs/dbraw/zinc/90/49/39/920904939.db2.gz FKEAGYNYJSAJIX-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001500837022 920904951 /nfs/dbraw/zinc/90/49/51/920904951.db2.gz FKEAGYNYJSAJIX-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@]1(CO)CCC[NH+](CCO)C1 ZINC001501369498 920983649 /nfs/dbraw/zinc/98/36/49/920983649.db2.gz QSHUVQJDXIVDNN-AWEZNQCLSA-N 2 1 287.404 -0.738 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001501369498 920983664 /nfs/dbraw/zinc/98/36/64/920983664.db2.gz QSHUVQJDXIVDNN-AWEZNQCLSA-N 2 1 287.404 -0.738 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001501369498 920983667 /nfs/dbraw/zinc/98/36/67/920983667.db2.gz QSHUVQJDXIVDNN-AWEZNQCLSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001507335815 921812911 /nfs/dbraw/zinc/81/29/11/921812911.db2.gz ZBHGVYHXADQHCE-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001507406026 921820297 /nfs/dbraw/zinc/82/02/97/921820297.db2.gz BTJGSKMQCJQKRS-NWDGAFQWSA-N 2 1 293.371 -0.449 20 0 CBADMP CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001507497637 921857491 /nfs/dbraw/zinc/85/74/91/921857491.db2.gz OUEJAOGOYSVTAH-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP COCC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001507563171 921868576 /nfs/dbraw/zinc/86/85/76/921868576.db2.gz QUAAEDXMOVBBRL-LBPRGKRZSA-N 2 1 284.360 -0.753 20 0 CBADMP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001507601775 921877321 /nfs/dbraw/zinc/87/73/21/921877321.db2.gz BFCMICIYYYQLHD-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001507601775 921877333 /nfs/dbraw/zinc/87/73/33/921877333.db2.gz BFCMICIYYYQLHD-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001507601775 921877343 /nfs/dbraw/zinc/87/73/43/921877343.db2.gz BFCMICIYYYQLHD-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001507601775 921877352 /nfs/dbraw/zinc/87/73/52/921877352.db2.gz BFCMICIYYYQLHD-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C[NH+](C)C1CCC1 ZINC001507640878 921889627 /nfs/dbraw/zinc/88/96/27/921889627.db2.gz VVJBGHXTNQRGSV-ZDUSSCGKSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001507640878 921889636 /nfs/dbraw/zinc/88/96/36/921889636.db2.gz VVJBGHXTNQRGSV-ZDUSSCGKSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)C[N@@H+](C)C1CCC1 ZINC001507640878 921889641 /nfs/dbraw/zinc/88/96/41/921889641.db2.gz VVJBGHXTNQRGSV-ZDUSSCGKSA-N 2 1 287.404 -0.786 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001507725931 921895686 /nfs/dbraw/zinc/89/56/86/921895686.db2.gz IUWUTMNLOSURQM-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@H](C)O ZINC001507729388 921900695 /nfs/dbraw/zinc/90/06/95/921900695.db2.gz PFNBDYMTHSJCIQ-AAEUAGOBSA-N 2 1 298.387 -0.677 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@H](C)O ZINC001507729388 921900701 /nfs/dbraw/zinc/90/07/01/921900701.db2.gz PFNBDYMTHSJCIQ-AAEUAGOBSA-N 2 1 298.387 -0.677 20 0 CBADMP CCC[N@H+](C)CCC(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001508229496 921922423 /nfs/dbraw/zinc/92/24/23/921922423.db2.gz MEXNDHLBUBTYAO-UHFFFAOYSA-N 2 1 296.415 -0.048 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001508229496 921922432 /nfs/dbraw/zinc/92/24/32/921922432.db2.gz MEXNDHLBUBTYAO-UHFFFAOYSA-N 2 1 296.415 -0.048 20 0 CBADMP CCC[NH+](C)CCC(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001508229496 921922448 /nfs/dbraw/zinc/92/24/48/921922448.db2.gz MEXNDHLBUBTYAO-UHFFFAOYSA-N 2 1 296.415 -0.048 20 0 CBADMP CCC[NH+](C)CCC(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001508229496 921922461 /nfs/dbraw/zinc/92/24/61/921922461.db2.gz MEXNDHLBUBTYAO-UHFFFAOYSA-N 2 1 296.415 -0.048 20 0 CBADMP C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@H]1C[N@@H+](C)CCN1C ZINC001515356302 922231775 /nfs/dbraw/zinc/23/17/75/922231775.db2.gz BEUOGUYVEMGIAA-NNYUYHANSA-N 2 1 256.394 -0.280 20 0 CBADMP C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@H]1CN(C)CCN1C ZINC001515356302 922231788 /nfs/dbraw/zinc/23/17/88/922231788.db2.gz BEUOGUYVEMGIAA-NNYUYHANSA-N 2 1 256.394 -0.280 20 0 CBADMP C[N@H+]1C[C@@]23CN(C(=O)CNCC[NH3+])C[C@]2(C1)CCCC3 ZINC001515274102 922226994 /nfs/dbraw/zinc/22/69/94/922226994.db2.gz ZZRFWICAFSHJJT-GASCZTMLSA-N 2 1 280.416 -0.131 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(c2nccnc2C[NH3+])[C@H](C)C1 ZINC001515658622 922237720 /nfs/dbraw/zinc/23/77/20/922237720.db2.gz JMWKTCBXPNGELL-MNOVXSKESA-N 2 1 265.361 -0.173 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001521159283 922336610 /nfs/dbraw/zinc/33/66/10/922336610.db2.gz ZPXNJQLIIONCTD-WOPDTQHZSA-N 2 1 254.378 -0.511 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001521152237 922337188 /nfs/dbraw/zinc/33/71/88/922337188.db2.gz RGYLFHYSYRGUNI-NSHDSACASA-N 2 1 257.378 -0.338 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001521158352 922337555 /nfs/dbraw/zinc/33/75/55/922337555.db2.gz LQPDOOMFNFLBLQ-QJPTWQEYSA-N 2 1 254.378 -0.526 20 0 CBADMP [NH3+][C@H](CO)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC001521434326 922352160 /nfs/dbraw/zinc/35/21/60/922352160.db2.gz YUIVTYGOSFDHAT-CYBMUJFWSA-N 2 1 263.341 -0.520 20 0 CBADMP [NH3+][C@H](CO)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC001521434326 922352174 /nfs/dbraw/zinc/35/21/74/922352174.db2.gz YUIVTYGOSFDHAT-CYBMUJFWSA-N 2 1 263.341 -0.520 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001521504518 922361152 /nfs/dbraw/zinc/36/11/52/922361152.db2.gz WORSACHFCRHGEA-UHFFFAOYSA-N 2 1 298.431 -0.770 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](O)C[NH3+])C1 ZINC001521496159 922361476 /nfs/dbraw/zinc/36/14/76/922361476.db2.gz PJDSDKZFFOJEQJ-NWDGAFQWSA-N 2 1 257.378 -0.114 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC001521533668 922364537 /nfs/dbraw/zinc/36/45/37/922364537.db2.gz LGKYMWBAQZFKLJ-DYEKYZERSA-N 2 1 266.389 -0.428 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC001521533667 922365159 /nfs/dbraw/zinc/36/51/59/922365159.db2.gz LGKYMWBAQZFKLJ-BZPMIXESSA-N 2 1 266.389 -0.428 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC001521533669 922367061 /nfs/dbraw/zinc/36/70/61/922367061.db2.gz LGKYMWBAQZFKLJ-MBNYWOFBSA-N 2 1 266.389 -0.428 20 0 CBADMP C[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001521707126 922378112 /nfs/dbraw/zinc/37/81/12/922378112.db2.gz ZTICIOWKOXWGRZ-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2NC(=O)C[C@]23CC[NH2+]C3)C1 ZINC001522310279 922407172 /nfs/dbraw/zinc/40/71/72/922407172.db2.gz AQHHYKATYKENFD-GWCFXTLKSA-N 2 1 266.345 -0.676 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCCC[C@H]1C[NH3+] ZINC001522444901 922417720 /nfs/dbraw/zinc/41/77/20/922417720.db2.gz IFJCNKVFBHLYFH-AVGNSLFASA-N 2 1 266.389 -0.286 20 0 CBADMP C[NH+](C)CCC(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001522763098 922517104 /nfs/dbraw/zinc/51/71/04/922517104.db2.gz KLVSIGURWPQUKT-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CN1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC[N@@H+](C)CC1 ZINC001523482659 922595957 /nfs/dbraw/zinc/59/59/57/922595957.db2.gz UQBWLSSMJCSIGZ-UKRRQHHQSA-N 2 1 280.416 -0.308 20 0 CBADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@H]1C[C@]12CC[NH2+]C2 ZINC001523475429 922596981 /nfs/dbraw/zinc/59/69/81/922596981.db2.gz UXGYMJRBBWBMNQ-MFKMUULPSA-N 2 1 261.329 -0.076 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001524029224 922613687 /nfs/dbraw/zinc/61/36/87/922613687.db2.gz KDLKGHGLGJHMFG-SRVKXCTJSA-N 2 1 256.394 -0.280 20 0 CBADMP C[C@@H](NC(=O)C1(C)C[NH2+]C1)[C@H]1C[N@@H+](C)CCN1C ZINC001524028515 922615701 /nfs/dbraw/zinc/61/57/01/922615701.db2.gz CCWSVBGEVQJXBH-GHMZBOCLSA-N 2 1 254.378 -0.654 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H]1CC[NH+](C)C1 ZINC001527473546 922755341 /nfs/dbraw/zinc/75/53/41/922755341.db2.gz GLMLGSQHINFAME-JHJVBQTASA-N 2 1 266.389 -0.557 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC001527473546 922755356 /nfs/dbraw/zinc/75/53/56/922755356.db2.gz GLMLGSQHINFAME-JHJVBQTASA-N 2 1 266.389 -0.557 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC001527473546 922755370 /nfs/dbraw/zinc/75/53/70/922755370.db2.gz GLMLGSQHINFAME-JHJVBQTASA-N 2 1 266.389 -0.557 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CCNC(=O)C[NH+]1CCCC1 ZINC001528176707 922814032 /nfs/dbraw/zinc/81/40/32/922814032.db2.gz SXVIISNONYDZFE-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](C(=O)N1CCN(C2C[NH+](C)C2)CC1)[NH+](C)C ZINC001528976455 922865725 /nfs/dbraw/zinc/86/57/25/922865725.db2.gz HNWCHGUGLFCZLS-LLVKDONJSA-N 2 1 254.378 -0.605 20 0 CBADMP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001529329908 922886834 /nfs/dbraw/zinc/88/68/34/922886834.db2.gz WOYXIBFZHRZRMM-LOWDOPEQSA-N 2 1 267.373 -0.227 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001529329908 922886844 /nfs/dbraw/zinc/88/68/44/922886844.db2.gz WOYXIBFZHRZRMM-LOWDOPEQSA-N 2 1 267.373 -0.227 20 0 CBADMP C[NH+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001529329908 922886860 /nfs/dbraw/zinc/88/68/60/922886860.db2.gz WOYXIBFZHRZRMM-LOWDOPEQSA-N 2 1 267.373 -0.227 20 0 CBADMP C[NH+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001529329908 922886876 /nfs/dbraw/zinc/88/68/76/922886876.db2.gz WOYXIBFZHRZRMM-LOWDOPEQSA-N 2 1 267.373 -0.227 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001534141337 923140578 /nfs/dbraw/zinc/14/05/78/923140578.db2.gz NNJLFLPEFKZTOU-YNEHKIRRSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)[C@H]1CCC[NH+]1C ZINC001534329664 923144254 /nfs/dbraw/zinc/14/42/54/923144254.db2.gz DTWIDCRVOCELCK-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001534329664 923144261 /nfs/dbraw/zinc/14/42/61/923144261.db2.gz DTWIDCRVOCELCK-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001534329664 923144267 /nfs/dbraw/zinc/14/42/67/923144267.db2.gz DTWIDCRVOCELCK-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH2+]C1CC(C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)C1 ZINC001548557613 923379586 /nfs/dbraw/zinc/37/95/86/923379586.db2.gz JACIHKNLRYLGIB-MCIGGMRASA-N 2 1 277.372 -0.109 20 0 CBADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C[C@@H](O)C[NH3+] ZINC001548557638 923380667 /nfs/dbraw/zinc/38/06/67/923380667.db2.gz JEPYSZAGTSKVDC-YPMHNXCESA-N 2 1 293.367 -0.122 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548558692 923382364 /nfs/dbraw/zinc/38/23/64/923382364.db2.gz YVNUYKBMUSPVSX-SNVBAGLBSA-N 2 1 276.287 -0.405 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC001548561356 923385805 /nfs/dbraw/zinc/38/58/05/923385805.db2.gz LPOOSWMTJUOLCR-BNOWGMLFSA-N 2 1 292.383 -0.229 20 0 CBADMP CN1CC[NH2+]C[C@H]1C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC001548561038 923388219 /nfs/dbraw/zinc/38/82/19/923388219.db2.gz FZIHHOGCOYCHLW-KBPBESRZSA-N 2 1 289.383 -0.542 20 0 CBADMP [NH3+][C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(F)cc1F ZINC001548573487 923397744 /nfs/dbraw/zinc/39/77/44/923397744.db2.gz MJPGNOFXZKLKJJ-VWYCJHECSA-N 2 1 271.267 -0.587 20 0 CBADMP O=C([C@@H]1CSC[NH2+]1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001548586901 923405937 /nfs/dbraw/zinc/40/59/37/923405937.db2.gz ZSRZCYJTSQNPNW-JTQLQIEISA-N 2 1 271.386 -0.370 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)C1CC[NH+](C)CC1 ZINC001548613181 923407466 /nfs/dbraw/zinc/40/74/66/923407466.db2.gz GPBDMIYJYLVAOV-TZMCWYRMSA-N 2 1 280.416 -0.073 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548635605 923416084 /nfs/dbraw/zinc/41/60/84/923416084.db2.gz HQMRYXDKDCMWNO-AAEUAGOBSA-N 2 1 277.372 -0.304 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001548635605 923416095 /nfs/dbraw/zinc/41/60/95/923416095.db2.gz HQMRYXDKDCMWNO-AAEUAGOBSA-N 2 1 277.372 -0.304 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001548640574 923419625 /nfs/dbraw/zinc/41/96/25/923419625.db2.gz WXIHGWSBIYRIIX-MGPQQGTHSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C)[NH+](C)C1CC1 ZINC001548640223 923420072 /nfs/dbraw/zinc/42/00/72/923420072.db2.gz PITXVFDAXWFECC-OUCADQQQSA-N 2 1 280.416 -0.026 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCN1C[C@H]2C)[N@H+](C)C1CC1 ZINC001548640223 923420082 /nfs/dbraw/zinc/42/00/82/923420082.db2.gz PITXVFDAXWFECC-OUCADQQQSA-N 2 1 280.416 -0.026 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCN1C[C@H]2C)[N@@H+](C)C1CC1 ZINC001548640223 923420096 /nfs/dbraw/zinc/42/00/96/923420096.db2.gz PITXVFDAXWFECC-OUCADQQQSA-N 2 1 280.416 -0.026 20 0 CBADMP CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCN2C[C@H]3C)CC1 ZINC001548643798 923425880 /nfs/dbraw/zinc/42/58/80/923425880.db2.gz VIMBKAKZMUKPLJ-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001548643798 923425890 /nfs/dbraw/zinc/42/58/90/923425890.db2.gz VIMBKAKZMUKPLJ-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548643798 923425899 /nfs/dbraw/zinc/42/58/99/923425899.db2.gz VIMBKAKZMUKPLJ-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001548667432 923439303 /nfs/dbraw/zinc/43/93/03/923439303.db2.gz WBJLBEOHBVAIDB-RJZRQDKASA-N 2 1 292.427 -0.026 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001548667432 923439311 /nfs/dbraw/zinc/43/93/11/923439311.db2.gz WBJLBEOHBVAIDB-RJZRQDKASA-N 2 1 292.427 -0.026 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548667432 923439316 /nfs/dbraw/zinc/43/93/16/923439316.db2.gz WBJLBEOHBVAIDB-RJZRQDKASA-N 2 1 292.427 -0.026 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CC[NH+](C)C1CC1 ZINC001548687843 923447072 /nfs/dbraw/zinc/44/70/72/923447072.db2.gz OWZFYXFDPQTMJS-OCCSQVGLSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N(C)CC[N@H+](C)C1CC1 ZINC001548687843 923447083 /nfs/dbraw/zinc/44/70/83/923447083.db2.gz OWZFYXFDPQTMJS-OCCSQVGLSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC001548687843 923447102 /nfs/dbraw/zinc/44/71/02/923447102.db2.gz OWZFYXFDPQTMJS-OCCSQVGLSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1([NH+](C)C)CCC1 ZINC001548690490 923453390 /nfs/dbraw/zinc/45/33/90/923453390.db2.gz OWTPZQPASSHHRP-CHWSQXEVSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1(C[NH+](C)C)CCC1 ZINC001548700205 923458027 /nfs/dbraw/zinc/45/80/27/923458027.db2.gz STDOAMMVBPBSSB-CHWSQXEVSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001548725924 923479938 /nfs/dbraw/zinc/47/99/38/923479938.db2.gz KTOUJLZUJJZMTK-LXTVHRRPSA-N 2 1 292.427 -0.215 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC001548725924 923479941 /nfs/dbraw/zinc/47/99/41/923479941.db2.gz KTOUJLZUJJZMTK-LXTVHRRPSA-N 2 1 292.427 -0.215 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC001548725924 923479946 /nfs/dbraw/zinc/47/99/46/923479946.db2.gz KTOUJLZUJJZMTK-LXTVHRRPSA-N 2 1 292.427 -0.215 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC([NH+]2CCCC2)C1 ZINC001548726933 923480567 /nfs/dbraw/zinc/48/05/67/923480567.db2.gz AIKYZBNBARISAG-GXTWGEPZSA-N 2 1 278.400 -0.319 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC001548731533 923481927 /nfs/dbraw/zinc/48/19/27/923481927.db2.gz GTEBDGCEIPEXRH-RDBSUJKOSA-N 2 1 278.400 -0.319 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+]C1 ZINC001549042836 923526256 /nfs/dbraw/zinc/52/62/56/923526256.db2.gz DKIJMMHJUDAHIJ-QWRGUYRKSA-N 2 1 263.345 -0.498 20 0 CBADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001549044057 923528831 /nfs/dbraw/zinc/52/88/31/923528831.db2.gz XAKATJFBLAUGBG-KGLIPLIRSA-N 3 1 280.416 -0.260 20 0 CBADMP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC001549044057 923528841 /nfs/dbraw/zinc/52/88/41/923528841.db2.gz XAKATJFBLAUGBG-KGLIPLIRSA-N 2 1 280.416 -0.260 20 0 CBADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC001549044057 923528853 /nfs/dbraw/zinc/52/88/53/923528853.db2.gz XAKATJFBLAUGBG-KGLIPLIRSA-N 2 1 280.416 -0.260 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC001549043662 923532007 /nfs/dbraw/zinc/53/20/07/923532007.db2.gz QAFVHOSITSKHPU-NWDGAFQWSA-N 2 1 293.371 -0.729 20 0 CBADMP C[C@H]1C[N@@H+](CCC[NH3+])C[C@@H]1C(=O)N1CCOCC1 ZINC001549175670 923566864 /nfs/dbraw/zinc/56/68/64/923566864.db2.gz NHTCFMAKKINDOP-RYUDHWBXSA-N 2 1 255.362 -0.238 20 0 CBADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001549302696 923586983 /nfs/dbraw/zinc/58/69/83/923586983.db2.gz UNQMHVVKKMFBRC-IHRRRGAJSA-N 2 1 281.400 -0.053 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[N@H+]2C[C@@H](O)C[C@@H]2C1 ZINC001549614146 923619430 /nfs/dbraw/zinc/61/94/30/923619430.db2.gz FYUONHYHKPMQRB-FRRDWIJNSA-N 2 1 294.399 -0.269 20 0 CBADMP O=C(NCc1cnn2c1C[NH2+]CC2)[C@@H]1CCCC[NH2+]C1 ZINC001549722668 923629476 /nfs/dbraw/zinc/62/94/76/923629476.db2.gz XZBPYOUWKWHRBE-LLVKDONJSA-N 2 1 277.372 -0.008 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549741337 923639067 /nfs/dbraw/zinc/63/90/67/923639067.db2.gz ZMQMFJSHKQBOBR-NWDGAFQWSA-N 2 1 288.355 -0.122 20 0 CBADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001550074002 923666300 /nfs/dbraw/zinc/66/63/00/923666300.db2.gz DYEKFEOROZWFCB-HBNTYKKESA-N 2 1 253.346 -0.236 20 0 CBADMP CN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]([NH3+])C3CC3)C2)CC1 ZINC001550117059 923690221 /nfs/dbraw/zinc/69/02/21/923690221.db2.gz UHHNSHNTDQWLPF-UONOGXRCSA-N 2 1 280.416 -0.038 20 0 CBADMP CN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]([NH3+])C3CC3)C2)CC1 ZINC001550117056 923691851 /nfs/dbraw/zinc/69/18/51/923691851.db2.gz UHHNSHNTDQWLPF-KBPBESRZSA-N 2 1 280.416 -0.038 20 0 CBADMP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)C1 ZINC001550124807 923693597 /nfs/dbraw/zinc/69/35/97/923693597.db2.gz WZJSZQHCFZRDEZ-GZBFAFLISA-N 2 1 294.399 -0.369 20 0 CBADMP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC001550124807 923693605 /nfs/dbraw/zinc/69/36/05/923693605.db2.gz WZJSZQHCFZRDEZ-GZBFAFLISA-N 2 1 294.399 -0.369 20 0 CBADMP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC001550124808 923695400 /nfs/dbraw/zinc/69/54/00/923695400.db2.gz WZJSZQHCFZRDEZ-KCQAQPDRSA-N 2 1 294.399 -0.369 20 0 CBADMP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC001550124808 923695410 /nfs/dbraw/zinc/69/54/10/923695410.db2.gz WZJSZQHCFZRDEZ-KCQAQPDRSA-N 2 1 294.399 -0.369 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001550121843 923696940 /nfs/dbraw/zinc/69/69/40/923696940.db2.gz BDWAESAISJMJGY-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC001550349447 923721340 /nfs/dbraw/zinc/72/13/40/923721340.db2.gz XBIFPSBQZVVXCH-KBPBESRZSA-N 2 1 296.415 -0.216 20 0 CBADMP O[C@@H]1C[C@@H]2CN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC[N@H+]2C1 ZINC001550701603 923737122 /nfs/dbraw/zinc/73/71/22/923737122.db2.gz GQTWUGJCSYCXMU-KFWWJZLASA-N 2 1 295.427 -0.104 20 0 CBADMP [NH3+][C@@]12CC[C@@H]1CN(C(=O)NCc1cnn3c1C[NH2+]CC3)C2 ZINC001550758068 923747122 /nfs/dbraw/zinc/74/71/22/923747122.db2.gz SLNWESNXTSHMRI-BXUZGUMPSA-N 2 1 290.371 -0.381 20 0 CBADMP O=C1CC[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550914525 923755116 /nfs/dbraw/zinc/75/51/16/923755116.db2.gz VLDADWNKLPDPQL-PWNZVWSESA-N 2 1 298.406 -0.077 20 0 CBADMP CNC(=O)[C@@]12C[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)C[C@H]1COCC2 ZINC001551411275 923780241 /nfs/dbraw/zinc/78/02/41/923780241.db2.gz SDMHVJBUTVFFOJ-OSFYFWSMSA-N 2 1 281.400 -0.074 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551586866 923805845 /nfs/dbraw/zinc/80/58/45/923805845.db2.gz ITIZFKMOIVAEII-JJMZSNKZSA-N 2 1 282.388 -0.114 20 0 CBADMP C[C@@H]1CN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)C[C@H](C)[N@@H+]1CCO ZINC001551604298 923807824 /nfs/dbraw/zinc/80/78/24/923807824.db2.gz GBLPDHHLGWYPNM-CZAVRGAYSA-N 2 1 296.415 -0.037 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552169051 923844190 /nfs/dbraw/zinc/84/41/90/923844190.db2.gz QULCSVZPSVQRJQ-LLVKDONJSA-N 2 1 289.343 -0.253 20 0 CBADMP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[N@H+]2CCC[C@H]2C1 ZINC001552177199 923844568 /nfs/dbraw/zinc/84/45/68/923844568.db2.gz CQBIQSWGRWSMLP-RYUDHWBXSA-N 2 1 290.371 -0.267 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552167944 923845674 /nfs/dbraw/zinc/84/56/74/923845674.db2.gz ZWUHWZYPBRGGMP-WDEREUQCSA-N 2 1 278.360 -0.506 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552200626 923856978 /nfs/dbraw/zinc/85/69/78/923856978.db2.gz SEEYNLASFBPZOA-SGMGOOAPSA-N 2 1 267.373 -0.177 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552200739 923859310 /nfs/dbraw/zinc/85/93/10/923859310.db2.gz VWDBVSWILWJWDD-MDZLAQPJSA-N 2 1 253.346 -0.567 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201733 923860640 /nfs/dbraw/zinc/86/06/40/923860640.db2.gz VDHBHXYCATYHIM-NFAWXSAZSA-N 2 1 297.399 -0.551 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552218217 923871940 /nfs/dbraw/zinc/87/19/40/923871940.db2.gz MLJABGLQGOVIAW-SGMGOOAPSA-N 2 1 267.373 -0.177 20 0 CBADMP N[C@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001552282740 923879707 /nfs/dbraw/zinc/87/97/07/923879707.db2.gz NQGDHEACEAOZAI-WHOHXGKFSA-N 2 1 252.362 -0.881 20 0 CBADMP N[C@H]1CN(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001552291925 923883566 /nfs/dbraw/zinc/88/35/66/923883566.db2.gz FAVATPUUUPHEDG-XQHKEYJVSA-N 2 1 281.404 -0.602 20 0 CBADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N1C[C@@H]([NH3+])[C@@H](N)C1 ZINC001552293438 923883729 /nfs/dbraw/zinc/88/37/29/923883729.db2.gz PVRLWLKVIQQDDV-FVCCEPFGSA-N 2 1 281.404 -0.365 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCCC[NH2+]C1 ZINC001552422030 923898877 /nfs/dbraw/zinc/89/88/77/923898877.db2.gz XXIXTWDONFQJDJ-OLZOCXBDSA-N 2 1 268.405 -0.262 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]C1 ZINC001552422028 923899573 /nfs/dbraw/zinc/89/95/73/923899573.db2.gz XXIXTWDONFQJDJ-CHWSQXEVSA-N 2 1 268.405 -0.262 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)C2)CC1 ZINC001552955240 923926709 /nfs/dbraw/zinc/92/67/09/923926709.db2.gz RRQXLEYVDSNVRV-KGLIPLIRSA-N 2 1 295.431 -0.245 20 0 CBADMP N[C@H]1CN(C(=O)N[C@H]2CCCCC23CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001552959912 923926815 /nfs/dbraw/zinc/92/68/15/923926815.db2.gz IAZGBWVJKLMBAG-XQQFMLRXSA-N 2 1 295.431 -0.021 20 0 CBADMP N[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1n1ccnn1 ZINC001552973409 923932465 /nfs/dbraw/zinc/93/24/65/923932465.db2.gz DJYFPDSRUXFHJS-ZLMOABSSSA-N 2 1 276.388 -0.007 20 0 CBADMP N[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1n1ccnn1 ZINC001552973409 923932477 /nfs/dbraw/zinc/93/24/77/923932477.db2.gz DJYFPDSRUXFHJS-ZLMOABSSSA-N 2 1 276.388 -0.007 20 0 CBADMP N[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1n1ccnn1 ZINC001552973407 923932637 /nfs/dbraw/zinc/93/26/37/923932637.db2.gz DJYFPDSRUXFHJS-YEKKKDRXSA-N 2 1 276.388 -0.007 20 0 CBADMP N[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1n1ccnn1 ZINC001552973407 923932649 /nfs/dbraw/zinc/93/26/49/923932649.db2.gz DJYFPDSRUXFHJS-YEKKKDRXSA-N 2 1 276.388 -0.007 20 0 CBADMP C1C[C@H]([NH2+][C@@H]2CNCCOC2)[C@H](C2CC[NH2+]CC2)O1 ZINC001553025232 923935594 /nfs/dbraw/zinc/93/55/94/923935594.db2.gz XIHHPTQBJWRNFJ-RDBSUJKOSA-N 2 1 269.389 -0.279 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC001553026066 923935769 /nfs/dbraw/zinc/93/57/69/923935769.db2.gz LMTMDNYEAJJBNJ-VXGBXAGGSA-N 2 1 257.378 -0.590 20 0 CBADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC(C(N)=O)C1 ZINC001553014771 923936737 /nfs/dbraw/zinc/93/67/37/923936737.db2.gz URPFATJIIXQTRJ-VQXHTEKXSA-N 2 1 253.346 -0.439 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)CC1 ZINC001553346243 923950003 /nfs/dbraw/zinc/95/00/03/923950003.db2.gz ZWFDUBBQNUJBMX-ZFWWWQNUSA-N 2 1 294.399 -0.782 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)CC1 ZINC001553346243 923950014 /nfs/dbraw/zinc/95/00/14/923950014.db2.gz ZWFDUBBQNUJBMX-ZFWWWQNUSA-N 2 1 294.399 -0.782 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553345464 923950174 /nfs/dbraw/zinc/95/01/74/923950174.db2.gz WBCCSFLMWLPPEO-RISCZKNCSA-N 3 1 266.389 -0.604 20 0 CBADMP CN1CC[C@]2(C(=O)NC3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553345464 923950183 /nfs/dbraw/zinc/95/01/83/923950183.db2.gz WBCCSFLMWLPPEO-RISCZKNCSA-N 2 1 266.389 -0.604 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)CC1 ZINC001553346234 923950997 /nfs/dbraw/zinc/95/09/97/923950997.db2.gz ZWFDUBBQNUJBMX-DZGCQCFKSA-N 2 1 294.399 -0.782 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)CC1 ZINC001553346234 923951010 /nfs/dbraw/zinc/95/10/10/923951010.db2.gz ZWFDUBBQNUJBMX-DZGCQCFKSA-N 2 1 294.399 -0.782 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NCC3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553350763 923952213 /nfs/dbraw/zinc/95/22/13/923952213.db2.gz VKTFOWBHCHHUKA-HIFRSBDPSA-N 3 1 280.416 -0.357 20 0 CBADMP CN1CC[C@]2(C(=O)NCC3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553350763 923952225 /nfs/dbraw/zinc/95/22/25/923952225.db2.gz VKTFOWBHCHHUKA-HIFRSBDPSA-N 2 1 280.416 -0.357 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC[C@@H]3CCC[NH2+]3)C[NH2+]C[C@@H]2C1 ZINC001553355454 923956589 /nfs/dbraw/zinc/95/65/89/923956589.db2.gz YCVRNRAZPYZOJC-DYEKYZERSA-N 3 1 266.389 -0.604 20 0 CBADMP CN1CC[C@]2(C(=O)NC[C@@H]3CCC[NH2+]3)C[NH2+]C[C@@H]2C1 ZINC001553355454 923956605 /nfs/dbraw/zinc/95/66/05/923956605.db2.gz YCVRNRAZPYZOJC-DYEKYZERSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553353670 923958451 /nfs/dbraw/zinc/95/84/51/923958451.db2.gz XTTGRRWSAUFMID-BZPMIXESSA-N 3 1 266.389 -0.604 20 0 CBADMP CN1CC[C@]2(C(=O)N[C@@H]3CCC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553353670 923958465 /nfs/dbraw/zinc/95/84/65/923958465.db2.gz XTTGRRWSAUFMID-BZPMIXESSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)NCC(C)(C)[NH3+])C[NH2+]C[C@@H]2C1 ZINC001553358611 923961193 /nfs/dbraw/zinc/96/11/93/923961193.db2.gz QLFYFCLODPFHAN-ZWNOBZJWSA-N 3 1 254.378 -0.619 20 0 CBADMP CN1CC[C@@]2(C(=O)NCC(C)(C)[NH3+])C[NH2+]C[C@@H]2C1 ZINC001553358611 923961201 /nfs/dbraw/zinc/96/12/01/923961201.db2.gz QLFYFCLODPFHAN-ZWNOBZJWSA-N 2 1 254.378 -0.619 20 0 CBADMP CN(CC(C)(C)C[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553358460 923961684 /nfs/dbraw/zinc/96/16/84/923961684.db2.gz HVKAFPSSTNUUMM-SWLSCSKDSA-N 3 1 282.432 -0.029 20 0 CBADMP CN(CC(C)(C)C[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553358460 923961696 /nfs/dbraw/zinc/96/16/96/923961696.db2.gz HVKAFPSSTNUUMM-SWLSCSKDSA-N 3 1 282.432 -0.029 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC[C@@H]3CCCO3)C[NH2+]C[C@H]2C1 ZINC001553362677 923963797 /nfs/dbraw/zinc/96/37/97/923963797.db2.gz RPTRCSYESQNCIA-OBJOEFQTSA-N 2 1 267.373 -0.177 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC[C@@H]3CCCO3)C[NH2+]C[C@@H]2C1 ZINC001553362676 923966357 /nfs/dbraw/zinc/96/63/57/923966357.db2.gz RPTRCSYESQNCIA-DYEKYZERSA-N 2 1 267.373 -0.177 20 0 CBADMP Cn1nccc1CNC(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553402126 923970893 /nfs/dbraw/zinc/97/08/93/923970893.db2.gz MFOSEFHTEDJSDG-FZMZJTMJSA-N 2 1 277.372 -0.422 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)NC3CCOCC3)C[NH2+]C[C@@H]2C1 ZINC001553397635 923971003 /nfs/dbraw/zinc/97/10/03/923971003.db2.gz POVDSVUZWNEJHH-BXUZGUMPSA-N 2 1 267.373 -0.177 20 0 CBADMP CCNC(=O)[C@H](C)NC(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553397867 923971357 /nfs/dbraw/zinc/97/13/57/923971357.db2.gz OTZKRYSLKQWICO-MISXGVKJSA-N 2 1 282.388 -0.832 20 0 CBADMP CCNC(=O)[C@H](C)NC(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553397868 923972204 /nfs/dbraw/zinc/97/22/04/923972204.db2.gz OTZKRYSLKQWICO-MJVIPROJSA-N 2 1 282.388 -0.832 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)n1C ZINC001553407808 923980866 /nfs/dbraw/zinc/98/08/66/923980866.db2.gz HLAIVUGARPUCFY-WOPDTQHZSA-N 2 1 293.371 -0.378 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553412777 923986917 /nfs/dbraw/zinc/98/69/17/923986917.db2.gz OPHFLRHBZOOPJY-FOUMNBMASA-N 2 1 265.357 -0.141 20 0 CBADMP CN(C(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1)[C@H]1CC[N@@H+](C)C1 ZINC001553422885 923994071 /nfs/dbraw/zinc/99/40/71/923994071.db2.gz MWMJSALUQRCJPB-FIQHERPVSA-N 2 1 253.346 -0.332 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1C[C@H]([NH3+])C2(CCC2)C1 ZINC001553446973 924001863 /nfs/dbraw/zinc/00/18/63/924001863.db2.gz FLRBIGJGAJJKGS-STQMWFEESA-N 2 1 295.431 -0.245 20 0 CBADMP [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@H]1C[N@H+]3CCC[C@H]3CO1)C2 ZINC001553447680 924003174 /nfs/dbraw/zinc/00/31/74/924003174.db2.gz VRDQQFLBLQTPCH-OSFYFWSMSA-N 2 1 294.399 -0.018 20 0 CBADMP [NH3+]CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553495037 924010366 /nfs/dbraw/zinc/01/03/66/924010366.db2.gz WINKYHWAHHWKOT-BETUJISGSA-N 3 1 281.404 -0.445 20 0 CBADMP [NH3+]CCNC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001553495037 924010378 /nfs/dbraw/zinc/01/03/78/924010378.db2.gz WINKYHWAHHWKOT-BETUJISGSA-N 2 1 281.404 -0.445 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001553494296 924010890 /nfs/dbraw/zinc/01/08/90/924010890.db2.gz DXEOZTGXVKTVJD-JHJVBQTASA-N 2 1 284.404 -0.178 20 0 CBADMP CC(C)([NH3+])CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553499094 924012398 /nfs/dbraw/zinc/01/23/98/924012398.db2.gz YFRJQWFFHRSLLW-RYUDHWBXSA-N 2 1 284.404 -0.036 20 0 CBADMP [NH3+][C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C1CC1 ZINC001553497444 924013303 /nfs/dbraw/zinc/01/33/03/924013303.db2.gz PUUQNUWJTDJNMK-RDBSUJKOSA-N 2 1 296.415 -0.036 20 0 CBADMP CC(C)([NH3+])CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553499092 924014439 /nfs/dbraw/zinc/01/44/39/924014439.db2.gz YFRJQWFFHRSLLW-NEPJUHHUSA-N 2 1 284.404 -0.036 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553501574 924016566 /nfs/dbraw/zinc/01/65/66/924016566.db2.gz GFCYVPDNCSSOGX-MJBXVCDLSA-N 2 1 296.415 -0.021 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553503194 924017642 /nfs/dbraw/zinc/01/76/42/924017642.db2.gz MEQCGLGPLAZYJI-BNOWGMLFSA-N 3 1 295.431 -0.056 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001553503194 924017652 /nfs/dbraw/zinc/01/76/52/924017652.db2.gz MEQCGLGPLAZYJI-BNOWGMLFSA-N 2 1 295.431 -0.056 20 0 CBADMP [NH3+]C1CC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001553559083 924031781 /nfs/dbraw/zinc/03/17/81/924031781.db2.gz UZXUOKBMCMZDSG-TUUUFIMRSA-N 2 1 282.388 -0.283 20 0 CBADMP C[NH+](C)Cc1ccc(C(=O)N[C@H](CO)C[NH+](C)C)o1 ZINC001556504091 924062763 /nfs/dbraw/zinc/06/27/63/924062763.db2.gz KATCOZQWLPOASY-JTQLQIEISA-N 2 1 269.345 -0.007 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001557000653 924099420 /nfs/dbraw/zinc/09/94/20/924099420.db2.gz BKEVNRCAAJTXCE-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001557000653 924099431 /nfs/dbraw/zinc/09/94/31/924099431.db2.gz BKEVNRCAAJTXCE-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001557000653 924099438 /nfs/dbraw/zinc/09/94/38/924099438.db2.gz BKEVNRCAAJTXCE-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001557000653 924099446 /nfs/dbraw/zinc/09/94/46/924099446.db2.gz BKEVNRCAAJTXCE-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNc2nccnc2C[NH3+])C1 ZINC001559090175 924212194 /nfs/dbraw/zinc/21/21/94/924212194.db2.gz OFDMIYUUDIVSJZ-NSHDSACASA-N 2 1 292.387 -0.065 20 0 CBADMP C[C@@]1(O)CC[N@@H+](CCOCC[NH+]2CC[C@](C)(O)C2)C1 ZINC000178732817 230184011 /nfs/dbraw/zinc/18/40/11/230184011.db2.gz IGJZRMHGFXKEHZ-OKILXGFUSA-N 2 1 272.389 -0.084 20 0 CBADMP C[C@@]1(O)CC[NH+](CCOCC[N@@H+]2CC[C@](C)(O)C2)C1 ZINC000178732817 230184016 /nfs/dbraw/zinc/18/40/16/230184016.db2.gz IGJZRMHGFXKEHZ-OKILXGFUSA-N 2 1 272.389 -0.084 20 0 CBADMP C[C@@]1(O)CC[NH+](CCOCC[N@H+]2CC[C@](C)(O)C2)C1 ZINC000178732817 230184017 /nfs/dbraw/zinc/18/40/17/230184017.db2.gz IGJZRMHGFXKEHZ-OKILXGFUSA-N 2 1 272.389 -0.084 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC2OCCO2)CC1 ZINC000124698616 187149519 /nfs/dbraw/zinc/14/95/19/187149519.db2.gz KEWYPMSJBFRORF-CYBMUJFWSA-N 2 1 297.399 -0.012 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC2OCCO2)CC1 ZINC000124698616 187149520 /nfs/dbraw/zinc/14/95/20/187149520.db2.gz KEWYPMSJBFRORF-CYBMUJFWSA-N 2 1 297.399 -0.012 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000337834395 214280156 /nfs/dbraw/zinc/28/01/56/214280156.db2.gz CMFKEVADWXVMSL-MNOVXSKESA-N 2 1 268.361 -0.806 20 0 CBADMP C[C@H]1COCC[N@H+]1CCN1CCO[C@H](C[NH+](C)C)C1 ZINC000192714507 300345221 /nfs/dbraw/zinc/34/52/21/300345221.db2.gz WJPWBSCIFZOIAS-UONOGXRCSA-N 2 1 271.405 -0.031 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000338105419 214399364 /nfs/dbraw/zinc/39/93/64/214399364.db2.gz PRBUBDDKVOLNOS-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000338105419 214399367 /nfs/dbraw/zinc/39/93/67/214399367.db2.gz PRBUBDDKVOLNOS-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000126162813 187221614 /nfs/dbraw/zinc/22/16/14/187221614.db2.gz YITYPYFFPPPUMQ-FZMZJTMJSA-N 2 1 296.415 -0.314 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351475556 219100864 /nfs/dbraw/zinc/10/08/64/219100864.db2.gz IVPIPIHRMRAMNQ-YFKTTZPYSA-N 2 1 298.387 -0.484 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351475556 219100865 /nfs/dbraw/zinc/10/08/65/219100865.db2.gz IVPIPIHRMRAMNQ-YFKTTZPYSA-N 2 1 298.387 -0.484 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351475553 219101305 /nfs/dbraw/zinc/10/13/05/219101305.db2.gz IVPIPIHRMRAMNQ-BJDJZHNGSA-N 2 1 298.387 -0.484 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351475553 219101306 /nfs/dbraw/zinc/10/13/06/219101306.db2.gz IVPIPIHRMRAMNQ-BJDJZHNGSA-N 2 1 298.387 -0.484 20 0 CBADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC(=O)N3CCOCC3)C[C@@H]12 ZINC000351488849 219104320 /nfs/dbraw/zinc/10/43/20/219104320.db2.gz GJYGDDVSUBDSJN-JHJVBQTASA-N 2 1 267.373 -0.096 20 0 CBADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000351515674 219110405 /nfs/dbraw/zinc/11/04/05/219110405.db2.gz DCZACLWHIQSAAY-CMPLNLGQSA-N 2 1 280.372 -0.793 20 0 CBADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000351516541 219111965 /nfs/dbraw/zinc/11/19/65/219111965.db2.gz GHDQHTHIOBVDHA-VXGBXAGGSA-N 2 1 280.372 -0.839 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351533808 219118379 /nfs/dbraw/zinc/11/83/79/219118379.db2.gz IZLNIPIQYBTBHM-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000376923888 529902271 /nfs/dbraw/zinc/90/22/71/529902271.db2.gz UUNBIXFFSBIGAF-AWEZNQCLSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000376923888 529902272 /nfs/dbraw/zinc/90/22/72/529902272.db2.gz UUNBIXFFSBIGAF-AWEZNQCLSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000376923888 529902274 /nfs/dbraw/zinc/90/22/74/529902274.db2.gz UUNBIXFFSBIGAF-AWEZNQCLSA-N 2 1 280.416 -0.071 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351543566 219120624 /nfs/dbraw/zinc/12/06/24/219120624.db2.gz SJRICGVBGCGZAQ-LBPRGKRZSA-N 2 1 293.371 -0.434 20 0 CBADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000351541894 219120897 /nfs/dbraw/zinc/12/08/97/219120897.db2.gz QKLNJFWREIXDCU-CHWSQXEVSA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351541024 219121678 /nfs/dbraw/zinc/12/16/78/219121678.db2.gz PBYZKGLSQSIKKZ-GHMZBOCLSA-N 2 1 268.361 -0.983 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351541024 219121679 /nfs/dbraw/zinc/12/16/79/219121679.db2.gz PBYZKGLSQSIKKZ-GHMZBOCLSA-N 2 1 268.361 -0.983 20 0 CBADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000351556173 219124968 /nfs/dbraw/zinc/12/49/68/219124968.db2.gz DPWKUVBBONUNJW-WCQYABFASA-N 2 1 294.399 -0.545 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351557937 219125840 /nfs/dbraw/zinc/12/58/40/219125840.db2.gz QMDKPSTVTPVRNU-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1C ZINC000430723999 290092618 /nfs/dbraw/zinc/09/26/18/290092618.db2.gz UNWGGNOJHHXRSO-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)CC1 ZINC000378451992 530047524 /nfs/dbraw/zinc/04/75/24/530047524.db2.gz SQPUCMBPMWUREG-AWEZNQCLSA-N 2 1 278.400 -0.246 20 0 CBADMP C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000378451992 530047525 /nfs/dbraw/zinc/04/75/25/530047525.db2.gz SQPUCMBPMWUREG-AWEZNQCLSA-N 2 1 278.400 -0.246 20 0 CBADMP C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000378451992 530047526 /nfs/dbraw/zinc/04/75/26/530047526.db2.gz SQPUCMBPMWUREG-AWEZNQCLSA-N 2 1 278.400 -0.246 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000333813736 290095784 /nfs/dbraw/zinc/09/57/84/290095784.db2.gz JULOVMGDHLFFRR-AVGNSLFASA-N 2 1 284.404 -0.165 20 0 CBADMP CC[C@H](C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[NH+](C)C ZINC000339268007 215053011 /nfs/dbraw/zinc/05/30/11/215053011.db2.gz AITDSOAFEXVRDK-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000128460833 187372647 /nfs/dbraw/zinc/37/26/47/187372647.db2.gz HITYUIDNUFYGJI-LBPRGKRZSA-N 2 1 282.388 -0.111 20 0 CBADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000128460833 187372648 /nfs/dbraw/zinc/37/26/48/187372648.db2.gz HITYUIDNUFYGJI-LBPRGKRZSA-N 2 1 282.388 -0.111 20 0 CBADMP C[C@@H](O)C[N@H+](CCO)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000351923787 219249191 /nfs/dbraw/zinc/24/91/91/219249191.db2.gz AMACCFYQFXLTAA-GFCCVEGCSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H](O)C[N@@H+](CCO)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000351923787 219249193 /nfs/dbraw/zinc/24/91/93/219249193.db2.gz AMACCFYQFXLTAA-GFCCVEGCSA-N 2 1 299.415 -0.596 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000128848159 187393919 /nfs/dbraw/zinc/39/39/19/187393919.db2.gz GHEHAIPKOLINIA-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)NCCC[NH+]1CCOCC1 ZINC000128881726 187396172 /nfs/dbraw/zinc/39/61/72/187396172.db2.gz PUMAQXFJHZIFAC-LBPRGKRZSA-N 2 1 271.361 -0.797 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCNc2cc[nH+]cc2)C1 ZINC000351970429 219271680 /nfs/dbraw/zinc/27/16/80/219271680.db2.gz BMCXURJIFFSUOV-ZDUSSCGKSA-N 2 1 278.356 -0.248 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCNc2cc[nH+]cc2)C1 ZINC000351970429 219271681 /nfs/dbraw/zinc/27/16/81/219271681.db2.gz BMCXURJIFFSUOV-ZDUSSCGKSA-N 2 1 278.356 -0.248 20 0 CBADMP O=C(NCCC[NH+]1CCCCC1)[C@H]1COCC[NH2+]1 ZINC000088357934 179583298 /nfs/dbraw/zinc/58/32/98/179583298.db2.gz AEUDAHIJXLIBKC-GFCCVEGCSA-N 2 1 255.362 -0.033 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000352023963 219292980 /nfs/dbraw/zinc/29/29/80/219292980.db2.gz BVTIZAPZEFGLHS-MGPQQGTHSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000352023963 219292982 /nfs/dbraw/zinc/29/29/82/219292982.db2.gz BVTIZAPZEFGLHS-MGPQQGTHSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000352023963 219292985 /nfs/dbraw/zinc/29/29/85/219292985.db2.gz BVTIZAPZEFGLHS-MGPQQGTHSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)CC[N@@H+]1C ZINC000090720896 180031894 /nfs/dbraw/zinc/03/18/94/180031894.db2.gz CMYGRDZUZCWEMF-JQWIXIFHSA-N 2 1 280.372 -0.344 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)CC[N@H+]1C ZINC000090720896 180031896 /nfs/dbraw/zinc/03/18/96/180031896.db2.gz CMYGRDZUZCWEMF-JQWIXIFHSA-N 2 1 280.372 -0.344 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000091311273 180133032 /nfs/dbraw/zinc/13/30/32/180133032.db2.gz BQVCSKYAONEGMD-CMPLNLGQSA-N 2 1 253.346 -0.282 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091291158 180122618 /nfs/dbraw/zinc/12/26/18/180122618.db2.gz WRGSZKANFNSVMX-LLVKDONJSA-N 2 1 275.418 -0.224 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091291477 180122655 /nfs/dbraw/zinc/12/26/55/180122655.db2.gz WSLCLIAHWUGMMX-VXGBXAGGSA-N 2 1 286.445 -0.557 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)NCCC[NH+]1CCOCC1 ZINC000091299339 180126190 /nfs/dbraw/zinc/12/61/90/180126190.db2.gz FQSSTPYHOLIGKU-LBPRGKRZSA-N 2 1 271.361 -0.797 20 0 CBADMP COCC[N@H+](CCO)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000104958563 186034981 /nfs/dbraw/zinc/03/49/81/186034981.db2.gz UJLGCKQACKCADJ-UHFFFAOYSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[N@@H+](CCO)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000104958563 186034982 /nfs/dbraw/zinc/03/49/82/186034982.db2.gz UJLGCKQACKCADJ-UHFFFAOYSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+](CC)CCS(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000352192643 219352938 /nfs/dbraw/zinc/35/29/38/219352938.db2.gz WTQORGRZVXJESL-GFCCVEGCSA-N 2 1 293.433 -0.686 20 0 CBADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC000106921847 186151601 /nfs/dbraw/zinc/15/16/01/186151601.db2.gz OJRQXBYDKUMGPX-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP [NH3+]CC(=O)NCC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000034420436 351384731 /nfs/dbraw/zinc/38/47/31/351384731.db2.gz LLKGOWSKTAGZHP-UHFFFAOYSA-N 2 1 290.367 -0.764 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000037020382 351396347 /nfs/dbraw/zinc/39/63/47/351396347.db2.gz JRKUZTGTVRURBY-LBPRGKRZSA-N 2 1 282.388 -0.545 20 0 CBADMP CN1CC[NH+](CCCNC(=O)C[NH2+]C2CC2)CC1 ZINC000040808857 351418816 /nfs/dbraw/zinc/41/88/16/351418816.db2.gz BFWNPPOTLOCCAM-UHFFFAOYSA-N 2 1 254.378 -0.508 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@@H](C)C[NH3+])N1CC[NH+](C)CC1 ZINC000054343508 351534501 /nfs/dbraw/zinc/53/45/01/351534501.db2.gz BHKSPPHDOARNDU-QWHCGFSZSA-N 2 1 270.421 -0.031 20 0 CBADMP CCN(CC)C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179673 351580400 /nfs/dbraw/zinc/58/04/00/351580400.db2.gz ROSNREBWCVAXRS-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CN(C)C(=O)CC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063180215 351580635 /nfs/dbraw/zinc/58/06/35/351580635.db2.gz QXBFQPRYGIUJII-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000070174283 351635688 /nfs/dbraw/zinc/63/56/88/351635688.db2.gz OBHHBEBJZUBDEU-JSGCOSHPSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000070174283 351635691 /nfs/dbraw/zinc/63/56/91/351635691.db2.gz OBHHBEBJZUBDEU-JSGCOSHPSA-N 2 1 296.415 -0.264 20 0 CBADMP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068807720 351621686 /nfs/dbraw/zinc/62/16/86/351621686.db2.gz ZISLPHYSBAHTAN-NEPJUHHUSA-N 2 1 256.394 -0.134 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000068805018 351622253 /nfs/dbraw/zinc/62/22/53/351622253.db2.gz YSGBRRRCNODYAZ-KGLIPLIRSA-N 2 1 270.421 -0.722 20 0 CBADMP C[N@@H+](CCNC(=O)NCC1(O)CC[NH+](C)CC1)C1CC1 ZINC000077827355 351683663 /nfs/dbraw/zinc/68/36/63/351683663.db2.gz CUZHKUGPWZNKDT-UHFFFAOYSA-N 2 1 284.404 -0.164 20 0 CBADMP COCCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000081318118 351704186 /nfs/dbraw/zinc/70/41/86/351704186.db2.gz BICYYIUGDJKWQP-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP COCCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000081318118 351704190 /nfs/dbraw/zinc/70/41/90/351704190.db2.gz BICYYIUGDJKWQP-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP COCCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000081318118 351704193 /nfs/dbraw/zinc/70/41/93/351704193.db2.gz BICYYIUGDJKWQP-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP COCCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000081318118 351704196 /nfs/dbraw/zinc/70/41/96/351704196.db2.gz BICYYIUGDJKWQP-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081354796 351706044 /nfs/dbraw/zinc/70/60/44/351706044.db2.gz AUEIUUCXGSWFIE-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081354796 351706050 /nfs/dbraw/zinc/70/60/50/351706050.db2.gz AUEIUUCXGSWFIE-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP O=C(NCCC[NH+]1CCCCC1)[C@@H]1COCC[NH2+]1 ZINC000088357933 351724468 /nfs/dbraw/zinc/72/44/68/351724468.db2.gz AEUDAHIJXLIBKC-LBPRGKRZSA-N 2 1 255.362 -0.033 20 0 CBADMP C[NH+](C)CC1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000088371162 351725028 /nfs/dbraw/zinc/72/50/28/351725028.db2.gz FTFWBWQNVMIQPV-GFCCVEGCSA-N 2 1 255.362 -0.225 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1COCC[NH2+]1)C1CCCC1 ZINC000088372442 351725352 /nfs/dbraw/zinc/72/53/52/351725352.db2.gz WIQDUNFVJPIYOF-LBPRGKRZSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1COCC[NH2+]1)C1CCCC1 ZINC000088372442 351725354 /nfs/dbraw/zinc/72/53/54/351725354.db2.gz WIQDUNFVJPIYOF-LBPRGKRZSA-N 2 1 255.362 -0.035 20 0 CBADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[NH+](CCO)CC1 ZINC000088397672 351725896 /nfs/dbraw/zinc/72/58/96/351725896.db2.gz PIDIISDYEGMIEG-HOTGVXAUSA-N 2 1 293.411 -0.473 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000092629666 351752202 /nfs/dbraw/zinc/75/22/02/351752202.db2.gz DOTKTGZSQNLFOX-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CN(CCC(=O)N1CC[NH2+]CC1)C[C@H]1CCC[N@H+]1C ZINC000092629175 351750653 /nfs/dbraw/zinc/75/06/53/351750653.db2.gz UZUFTLGYTCITMO-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CCC[C@@H]1C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000092629175 351750655 /nfs/dbraw/zinc/75/06/55/351750655.db2.gz UZUFTLGYTCITMO-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CCC[C@@H]1C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000092629175 351750659 /nfs/dbraw/zinc/75/06/59/351750659.db2.gz UZUFTLGYTCITMO-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+]1CCN(CC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000109949460 351798055 /nfs/dbraw/zinc/79/80/55/351798055.db2.gz QFHFLPGRJUVZOJ-UHFFFAOYSA-N 2 1 268.405 -0.164 20 0 CBADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000093770593 351762257 /nfs/dbraw/zinc/76/22/57/351762257.db2.gz QYVNTUMNQISSHX-LBPRGKRZSA-N 2 1 294.399 -0.142 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000093770593 351762261 /nfs/dbraw/zinc/76/22/61/351762261.db2.gz QYVNTUMNQISSHX-LBPRGKRZSA-N 2 1 294.399 -0.142 20 0 CBADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000093770593 351762264 /nfs/dbraw/zinc/76/22/64/351762264.db2.gz QYVNTUMNQISSHX-LBPRGKRZSA-N 2 1 294.399 -0.142 20 0 CBADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000093770593 351762269 /nfs/dbraw/zinc/76/22/69/351762269.db2.gz QYVNTUMNQISSHX-LBPRGKRZSA-N 2 1 294.399 -0.142 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479818 351817044 /nfs/dbraw/zinc/81/70/44/351817044.db2.gz QOYHFSZMTAAUNU-LLVKDONJSA-N 2 1 263.407 -0.191 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479818 351817048 /nfs/dbraw/zinc/81/70/48/351817048.db2.gz QOYHFSZMTAAUNU-LLVKDONJSA-N 2 1 263.407 -0.191 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000125629710 351857679 /nfs/dbraw/zinc/85/76/79/351857679.db2.gz NCVBWHATDCTUHS-ZDUSSCGKSA-N 2 1 268.405 -0.118 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000121180177 351846626 /nfs/dbraw/zinc/84/66/26/351846626.db2.gz LWKSASYSANDWSE-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000121180177 351846629 /nfs/dbraw/zinc/84/66/29/351846629.db2.gz LWKSASYSANDWSE-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000130385538 351879236 /nfs/dbraw/zinc/87/92/36/351879236.db2.gz VEPKKMYMGIBIIV-ZDUSSCGKSA-N 2 1 285.388 -0.454 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000130516405 351880589 /nfs/dbraw/zinc/88/05/89/351880589.db2.gz HSFCPWGVYLBHAK-FRRDWIJNSA-N 2 1 283.372 -0.656 20 0 CBADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCN1C(=O)CNC1=O ZINC000123724345 187106201 /nfs/dbraw/zinc/10/62/01/187106201.db2.gz GWHIFLFPGKKYRR-JTQLQIEISA-N 2 1 256.350 -0.157 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCOCC1 ZINC000129794483 351874897 /nfs/dbraw/zinc/87/48/97/351874897.db2.gz QWHACFFLMJSWNO-UHFFFAOYSA-N 2 1 298.431 -0.586 20 0 CBADMP CN1CC[NH+](CCCNC(=O)C2([NH3+])CCC2)CC1 ZINC000148089535 351929130 /nfs/dbraw/zinc/92/91/30/351929130.db2.gz BDMZBKDTYBDCBR-UHFFFAOYSA-N 2 1 254.378 -0.379 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000131590379 351887579 /nfs/dbraw/zinc/88/75/79/351887579.db2.gz XUWLDJXBMRWKBW-WCQYABFASA-N 2 1 282.388 -0.654 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000131590379 351887583 /nfs/dbraw/zinc/88/75/83/351887583.db2.gz XUWLDJXBMRWKBW-WCQYABFASA-N 2 1 282.388 -0.654 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000131590573 351887819 /nfs/dbraw/zinc/88/78/19/351887819.db2.gz XUWLDJXBMRWKBW-YPMHNXCESA-N 2 1 282.388 -0.654 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000131590573 351887822 /nfs/dbraw/zinc/88/78/22/351887822.db2.gz XUWLDJXBMRWKBW-YPMHNXCESA-N 2 1 282.388 -0.654 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000132906693 351896525 /nfs/dbraw/zinc/89/65/25/351896525.db2.gz YETBHOUKOSETNZ-WOPDTQHZSA-N 2 1 253.346 -0.282 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)CC[N@H+]1C ZINC000157866072 351957793 /nfs/dbraw/zinc/95/77/93/351957793.db2.gz MJNZLYDSRLQMPA-RYUDHWBXSA-N 2 1 254.378 -0.510 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)NC(N)=O)CC[C@@H]21 ZINC000158993543 351959791 /nfs/dbraw/zinc/95/97/91/351959791.db2.gz KLZPONCQOTXPHR-ZJUUUORDSA-N 2 1 254.334 -0.403 20 0 CBADMP C[NH+](C)CCN1CCC(CNC(=O)CC[NH3+])CC1 ZINC000165971955 351986802 /nfs/dbraw/zinc/98/68/02/351986802.db2.gz WJRHIKIAIWPAAZ-UHFFFAOYSA-N 2 1 256.394 -0.275 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)C[NH3+])CC[C@@H]21 ZINC000167512231 351989629 /nfs/dbraw/zinc/98/96/29/351989629.db2.gz VKFILYGJCIHBHI-MNOVXSKESA-N 2 1 268.361 -0.996 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000167264502 351989733 /nfs/dbraw/zinc/98/97/33/351989733.db2.gz YJUMNHLTQHBMIN-NEPJUHHUSA-N 2 1 271.361 -0.798 20 0 CBADMP COC1(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000168940823 351996444 /nfs/dbraw/zinc/99/64/44/351996444.db2.gz WAKOGMVYACKOQK-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP CN(CC[NH+](C)C)C(=O)NCCC[NH+]1CCOCC1 ZINC000176131504 352062217 /nfs/dbraw/zinc/06/22/17/352062217.db2.gz LLJRVCTVNQQJFH-UHFFFAOYSA-N 2 1 272.393 -0.088 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000186324599 352126754 /nfs/dbraw/zinc/12/67/54/352126754.db2.gz KWQSRDWRQKRNKZ-LBPRGKRZSA-N 2 1 253.346 -0.257 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000186324599 352126756 /nfs/dbraw/zinc/12/67/56/352126756.db2.gz KWQSRDWRQKRNKZ-LBPRGKRZSA-N 2 1 253.346 -0.257 20 0 CBADMP CC[NH+](CC)CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186683869 352130328 /nfs/dbraw/zinc/13/03/28/352130328.db2.gz GGJNVFYJOXLNDN-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000178699844 352080662 /nfs/dbraw/zinc/08/06/62/352080662.db2.gz AGRNKNAVPCAUMB-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000178700520 352081833 /nfs/dbraw/zinc/08/18/33/352081833.db2.gz FMTBLEQUNRVYTF-YPMHNXCESA-N 2 1 284.404 -0.360 20 0 CBADMP COCC[NH2+]CC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000178867455 352084491 /nfs/dbraw/zinc/08/44/91/352084491.db2.gz MSWFDDKMJSKANP-QWRGUYRKSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]1CN(C(=O)CCC[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000178862126 352084526 /nfs/dbraw/zinc/08/45/26/352084526.db2.gz LJQYPQYYNNTBQQ-NEPJUHHUSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000178881920 352084561 /nfs/dbraw/zinc/08/45/61/352084561.db2.gz WBLGPDHXLQNJKJ-STQMWFEESA-N 2 1 268.405 -0.119 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000178872204 352084578 /nfs/dbraw/zinc/08/45/78/352084578.db2.gz QUFGQCHJEMDUEH-ZDUSSCGKSA-N 2 1 272.368 -0.558 20 0 CBADMP CS(=O)(=O)N1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000178956879 352086725 /nfs/dbraw/zinc/08/67/25/352086725.db2.gz WOWSDVQXYWGDHB-UHFFFAOYSA-N 2 1 275.418 -0.047 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000187188625 352135491 /nfs/dbraw/zinc/13/54/91/352135491.db2.gz OKFRROWKIOTOHO-OUAUKWLOSA-N 2 1 263.407 -0.146 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000187188625 352135501 /nfs/dbraw/zinc/13/55/01/352135501.db2.gz OKFRROWKIOTOHO-OUAUKWLOSA-N 2 1 263.407 -0.146 20 0 CBADMP OC[C@H]1CCC[N@H+]1CC(O)CN1CCC[C@H]1CO ZINC000181799961 352101129 /nfs/dbraw/zinc/10/11/29/352101129.db2.gz XMRVUDHHSQONKS-FUNVUKJBSA-N 2 1 258.362 -0.739 20 0 CBADMP OC[C@H]1CCC[N@@H+]1CC(O)CN1CCC[C@H]1CO ZINC000181799961 352101130 /nfs/dbraw/zinc/10/11/30/352101130.db2.gz XMRVUDHHSQONKS-FUNVUKJBSA-N 2 1 258.362 -0.739 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188736202 352156979 /nfs/dbraw/zinc/15/69/79/352156979.db2.gz RBJZIQRTEIBXEC-VIFPVBQESA-N 2 1 263.345 -0.121 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000188762052 352158676 /nfs/dbraw/zinc/15/86/76/352158676.db2.gz IOSVQMXWAGRGCX-YVECIDJPSA-N 2 1 287.379 -0.010 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000188762052 352158679 /nfs/dbraw/zinc/15/86/79/352158679.db2.gz IOSVQMXWAGRGCX-YVECIDJPSA-N 2 1 287.379 -0.010 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H]1C ZINC000188761934 352158744 /nfs/dbraw/zinc/15/87/44/352158744.db2.gz JWPURCLWOQUJBH-WISYIIOYSA-N 2 1 273.352 -0.400 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H]1C ZINC000188761934 352158745 /nfs/dbraw/zinc/15/87/45/352158745.db2.gz JWPURCLWOQUJBH-WISYIIOYSA-N 2 1 273.352 -0.400 20 0 CBADMP COCC[N@H+]1[C@H](C)CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)C[C@@H]1C ZINC000189305864 352167453 /nfs/dbraw/zinc/16/74/53/352167453.db2.gz DECJWHRAFYAUMU-RFQIPJPRSA-N 2 1 299.415 -0.069 20 0 CBADMP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)C[C@@H]1C ZINC000189305864 352167455 /nfs/dbraw/zinc/16/74/55/352167455.db2.gz DECJWHRAFYAUMU-RFQIPJPRSA-N 2 1 299.415 -0.069 20 0 CBADMP C[C@@H]1COCC[N@@H+]1CCN1CCO[C@H](C[NH+](C)C)C1 ZINC000192714498 352199651 /nfs/dbraw/zinc/19/96/51/352199651.db2.gz WJPWBSCIFZOIAS-ZIAGYGMSSA-N 2 1 271.405 -0.031 20 0 CBADMP C[C@@H]1COCC[N@H+]1CCN1CCO[C@H](C[NH+](C)C)C1 ZINC000192714498 352199654 /nfs/dbraw/zinc/19/96/54/352199654.db2.gz WJPWBSCIFZOIAS-ZIAGYGMSSA-N 2 1 271.405 -0.031 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000192095674 352195876 /nfs/dbraw/zinc/19/58/76/352195876.db2.gz XBWFLPRSSNFHNM-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000187950720 352144184 /nfs/dbraw/zinc/14/41/84/352144184.db2.gz NSCGHKUNNXPGCU-QNWHQSFQSA-N 2 1 285.388 -0.723 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000187950720 352144186 /nfs/dbraw/zinc/14/41/86/352144186.db2.gz NSCGHKUNNXPGCU-QNWHQSFQSA-N 2 1 285.388 -0.723 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000219035274 352237033 /nfs/dbraw/zinc/23/70/33/352237033.db2.gz HDWDKXYBRLZPKL-PWSUYJOCSA-N 2 1 270.377 -0.704 20 0 CBADMP C[NH2+]CC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000193139268 352203673 /nfs/dbraw/zinc/20/36/73/352203673.db2.gz SOCNPYBRXBUPHI-ZIAGYGMSSA-N 2 1 277.368 -0.043 20 0 CBADMP C[C@H]([NH3+])CCC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000193298190 352204365 /nfs/dbraw/zinc/20/43/65/352204365.db2.gz YTFYRMUUOPIUEF-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP Cn1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000211828383 352229559 /nfs/dbraw/zinc/22/95/59/352229559.db2.gz HDQZRDPGYDUNQB-LLVKDONJSA-N 2 1 265.361 -0.293 20 0 CBADMP Cn1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000211828383 352229562 /nfs/dbraw/zinc/22/95/62/352229562.db2.gz HDQZRDPGYDUNQB-LLVKDONJSA-N 2 1 265.361 -0.293 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000227373492 352257547 /nfs/dbraw/zinc/25/75/47/352257547.db2.gz XFTWGCZRGYWHIY-OLZOCXBDSA-N 2 1 286.420 -0.652 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000227392842 352258236 /nfs/dbraw/zinc/25/82/36/352258236.db2.gz ULQBURJLSDKKHO-SDDRHHMPSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000226401564 352251948 /nfs/dbraw/zinc/25/19/48/352251948.db2.gz ZBESIQJPVBKHHH-LLVKDONJSA-N 2 1 292.387 -0.021 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000226401564 352251949 /nfs/dbraw/zinc/25/19/49/352251949.db2.gz ZBESIQJPVBKHHH-LLVKDONJSA-N 2 1 292.387 -0.021 20 0 CBADMP COCC[NH2+]CC(=O)NCC[NH+]1CCSCC1 ZINC000226390262 352252158 /nfs/dbraw/zinc/25/21/58/352252158.db2.gz KPIAJCNPKNFDDU-UHFFFAOYSA-N 2 1 261.391 -0.613 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000232114753 352279011 /nfs/dbraw/zinc/27/90/11/352279011.db2.gz LPMWBSBNJMJRHV-JQWIXIFHSA-N 2 1 255.362 -0.049 20 0 CBADMP CCN1CC[NH+](CCC(=O)N(C)CC[NH2+]C)CC1 ZINC000236844207 352295095 /nfs/dbraw/zinc/29/50/95/352295095.db2.gz SHGFWPYLYYWVMY-UHFFFAOYSA-N 2 1 256.394 -0.308 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000236900361 352296411 /nfs/dbraw/zinc/29/64/11/352296411.db2.gz YXYSMVYBQHWQRU-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000236900361 352296413 /nfs/dbraw/zinc/29/64/13/352296413.db2.gz YXYSMVYBQHWQRU-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C[NH2+]C1CC1 ZINC000237091816 352298499 /nfs/dbraw/zinc/29/84/99/352298499.db2.gz IOSUDGLJQBNTMA-LBPRGKRZSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)Cc1ccccc1 ZINC000237146402 352300306 /nfs/dbraw/zinc/30/03/06/352300306.db2.gz GPGANFXLDIYIHU-ZIAGYGMSSA-N 2 1 277.368 -0.043 20 0 CBADMP C[NH2+]CC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000237196422 352301839 /nfs/dbraw/zinc/30/18/39/352301839.db2.gz RLDYNEWQBNNQQO-UHFFFAOYSA-N 2 1 282.388 -0.638 20 0 CBADMP C[NH2+]CC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000237196422 352301841 /nfs/dbraw/zinc/30/18/41/352301841.db2.gz RLDYNEWQBNNQQO-UHFFFAOYSA-N 2 1 282.388 -0.638 20 0 CBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000245457810 352320227 /nfs/dbraw/zinc/32/02/27/352320227.db2.gz JZQWOZGKGYXTTG-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000245457810 352320231 /nfs/dbraw/zinc/32/02/31/352320231.db2.gz JZQWOZGKGYXTTG-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000245457810 352320234 /nfs/dbraw/zinc/32/02/34/352320234.db2.gz JZQWOZGKGYXTTG-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000245457810 352320237 /nfs/dbraw/zinc/32/02/37/352320237.db2.gz JZQWOZGKGYXTTG-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000246335282 352331460 /nfs/dbraw/zinc/33/14/60/352331460.db2.gz UXECPEQMTOWLEO-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000246335282 352331463 /nfs/dbraw/zinc/33/14/63/352331463.db2.gz UXECPEQMTOWLEO-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000246298926 352331558 /nfs/dbraw/zinc/33/15/58/352331558.db2.gz NVMDNHGASOHATL-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000246298926 352331562 /nfs/dbraw/zinc/33/15/62/352331562.db2.gz NVMDNHGASOHATL-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CN1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000246990241 352340872 /nfs/dbraw/zinc/34/08/72/352340872.db2.gz NDHDTRVGIJMRFJ-DGCLKSJQSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000246990241 352340876 /nfs/dbraw/zinc/34/08/76/352340876.db2.gz NDHDTRVGIJMRFJ-DGCLKSJQSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000246990241 352340877 /nfs/dbraw/zinc/34/08/77/352340877.db2.gz NDHDTRVGIJMRFJ-DGCLKSJQSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000246990241 352340880 /nfs/dbraw/zinc/34/08/80/352340880.db2.gz NDHDTRVGIJMRFJ-DGCLKSJQSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000246990241 352340882 /nfs/dbraw/zinc/34/08/82/352340882.db2.gz NDHDTRVGIJMRFJ-DGCLKSJQSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]C)C2)C1 ZINC000247308656 352346206 /nfs/dbraw/zinc/34/62/06/352346206.db2.gz QIRPRQSHMTXUPQ-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]C)C2)C1 ZINC000247308656 352346208 /nfs/dbraw/zinc/34/62/08/352346208.db2.gz QIRPRQSHMTXUPQ-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)NC(N)=O)CC[C@H]21 ZINC000247944362 352348958 /nfs/dbraw/zinc/34/89/58/352348958.db2.gz HAPDNYSAIXCCDO-WDEREUQCSA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)NC(N)=O)CC[C@H]21 ZINC000247944362 352348960 /nfs/dbraw/zinc/34/89/60/352348960.db2.gz HAPDNYSAIXCCDO-WDEREUQCSA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)NC(N)=O)CC[C@H]21 ZINC000247944362 352348965 /nfs/dbraw/zinc/34/89/65/352348965.db2.gz HAPDNYSAIXCCDO-WDEREUQCSA-N 2 1 268.361 -0.013 20 0 CBADMP COC(=O)CNC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248201852 352350549 /nfs/dbraw/zinc/35/05/49/352350549.db2.gz YYZGEVRDAJSXJD-NWDGAFQWSA-N 2 1 283.372 -0.308 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000250363992 352372036 /nfs/dbraw/zinc/37/20/36/352372036.db2.gz FAOXJPHZWKMHLV-VXGBXAGGSA-N 2 1 254.378 -0.510 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250394408 352372503 /nfs/dbraw/zinc/37/25/03/352372503.db2.gz YLGIWJNKFAVBKD-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1C[NH2+]CCO1 ZINC000250860708 352374534 /nfs/dbraw/zinc/37/45/34/352374534.db2.gz QDOWETVYWAKBNI-IJLUTSLNSA-N 2 1 253.346 -0.282 20 0 CBADMP Cn1c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(=O)n(C)c1=O ZINC000252861953 352380701 /nfs/dbraw/zinc/38/07/01/352380701.db2.gz NTTFLMMHDFFPDQ-DRZSPHRISA-N 2 1 292.383 -0.357 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(=O)n(C)c1=O ZINC000261663089 352393155 /nfs/dbraw/zinc/39/31/55/352393155.db2.gz IKDNLHIXYVDAKX-ZDUSSCGKSA-N 2 1 266.345 -0.745 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000261701933 352393607 /nfs/dbraw/zinc/39/36/07/352393607.db2.gz CRLFNCUDWLXOJR-WDEREUQCSA-N 2 1 271.361 -0.181 20 0 CBADMP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000261741100 352394915 /nfs/dbraw/zinc/39/49/15/352394915.db2.gz MCJKLZFMCVCANI-WDEREUQCSA-N 2 1 280.372 -0.142 20 0 CBADMP CC1(C)NC(=O)N(CC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000261741100 352394919 /nfs/dbraw/zinc/39/49/19/352394919.db2.gz MCJKLZFMCVCANI-WDEREUQCSA-N 2 1 280.372 -0.142 20 0 CBADMP O=C1CNCCN1[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261790520 352396789 /nfs/dbraw/zinc/39/67/89/352396789.db2.gz QEHGAHBVKIFDSN-CQSZACIVSA-N 2 1 280.416 -0.118 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C[C@H]1CCOC1 ZINC000262182138 352409499 /nfs/dbraw/zinc/40/94/99/352409499.db2.gz RCFRNBXQPSZIJC-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP NC(=O)CC[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262252676 352412368 /nfs/dbraw/zinc/41/23/68/352412368.db2.gz WZBWNKXSMUPZND-CYBMUJFWSA-N 2 1 296.415 -0.214 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262313944 352415427 /nfs/dbraw/zinc/41/54/27/352415427.db2.gz BTHMZXBSOPMGRE-WOPDTQHZSA-N 2 1 255.362 -0.443 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)C[C@H]1C ZINC000262328046 352416429 /nfs/dbraw/zinc/41/64/29/352416429.db2.gz GJERBDIPJRSTGH-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@H+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)C[C@H]1C ZINC000262328046 352416430 /nfs/dbraw/zinc/41/64/30/352416430.db2.gz GJERBDIPJRSTGH-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP C[C@H](C[NH3+])C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000262336335 352417214 /nfs/dbraw/zinc/41/72/14/352417214.db2.gz HIOFTCFWXKVGKX-GFCCVEGCSA-N 2 1 270.421 -0.029 20 0 CBADMP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1CC ZINC000262405375 352420528 /nfs/dbraw/zinc/42/05/28/352420528.db2.gz OOWQMMORFXEFDQ-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1CC ZINC000262405375 352420531 /nfs/dbraw/zinc/42/05/31/352420531.db2.gz OOWQMMORFXEFDQ-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262545937 352425562 /nfs/dbraw/zinc/42/55/62/352425562.db2.gz SAOUNZIILVHDPW-UPJWGTAASA-N 2 1 285.388 -0.818 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262566815 352426629 /nfs/dbraw/zinc/42/66/29/352426629.db2.gz YCGVRGSVGDZQPQ-UTUOFQBUSA-N 2 1 255.362 -0.300 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)C1 ZINC000262727281 352431659 /nfs/dbraw/zinc/43/16/59/352431659.db2.gz AOUGLOOYUAXCLK-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)C1 ZINC000262727281 352431662 /nfs/dbraw/zinc/43/16/62/352431662.db2.gz AOUGLOOYUAXCLK-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000262766258 352433694 /nfs/dbraw/zinc/43/36/94/352433694.db2.gz ATYZMCBEXLZTHS-AGIUHOORSA-N 2 1 285.388 -0.471 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@H](C[NH3+])OC)CC1 ZINC000262830291 352434561 /nfs/dbraw/zinc/43/45/61/352434561.db2.gz HSQBOQBZQVXEIB-LLVKDONJSA-N 2 1 259.350 -0.859 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C[NH3+])OC ZINC000262823021 352434906 /nfs/dbraw/zinc/43/49/06/352434906.db2.gz GZZHSGBVDVILDM-NEPJUHHUSA-N 2 1 273.377 -0.423 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000262830293 352435353 /nfs/dbraw/zinc/43/53/53/352435353.db2.gz HSQBOQBZQVXEIB-NSHDSACASA-N 2 1 259.350 -0.859 20 0 CBADMP C[NH+]1CCN(C(=O)CC2CCN(CC[NH3+])CC2)CC1 ZINC000262969184 352436378 /nfs/dbraw/zinc/43/63/78/352436378.db2.gz LQFUVZGCCYHCMZ-UHFFFAOYSA-N 2 1 268.405 -0.179 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000263243393 352439981 /nfs/dbraw/zinc/43/99/81/352439981.db2.gz MAPQJQSOTCQVHF-SUNKGSAMSA-N 2 1 296.415 -0.173 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000263225764 352440231 /nfs/dbraw/zinc/44/02/31/352440231.db2.gz GKTKIZGIMSQYNI-OSMZGAPFSA-N 2 1 296.415 -0.315 20 0 CBADMP O=C(CC[NH+]1CCN(CC(F)F)CC1)N1CC[NH2+]CC1 ZINC000261978797 352401904 /nfs/dbraw/zinc/40/19/04/352401904.db2.gz BXAVEMOUCWHJAV-UHFFFAOYSA-N 2 1 290.358 -0.309 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262056401 352405705 /nfs/dbraw/zinc/40/57/05/352405705.db2.gz QREKNBBPMXQKQP-NEPJUHHUSA-N 2 1 275.418 0.000 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262056401 352405707 /nfs/dbraw/zinc/40/57/07/352405707.db2.gz QREKNBBPMXQKQP-NEPJUHHUSA-N 2 1 275.418 0.000 20 0 CBADMP CN(C)c1cc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc[nH+]1 ZINC000269269848 352465088 /nfs/dbraw/zinc/46/50/88/352465088.db2.gz RRINGFWVZOZUJV-ZJUUUORDSA-N 2 1 250.302 -0.191 20 0 CBADMP OC[C@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@@H]1CO ZINC000304780961 352747730 /nfs/dbraw/zinc/74/77/30/352747730.db2.gz GAIMFTBMOXQKKA-ZIAGYGMSSA-N 2 1 272.389 -0.084 20 0 CBADMP NC(=O)NC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310910624 352762895 /nfs/dbraw/zinc/76/28/95/352762895.db2.gz YAGLJOKTUZWIOV-AOOOYVTPSA-N 2 1 254.334 -0.497 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311515502 352767764 /nfs/dbraw/zinc/76/77/64/352767764.db2.gz CBJXAZBTOIQGLK-GWCFXTLKSA-N 2 1 268.361 -0.107 20 0 CBADMP C[N@H+]1CCC[C@H](CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000311996372 352773338 /nfs/dbraw/zinc/77/33/38/352773338.db2.gz PHKHJUGJLPJZMO-NEPJUHHUSA-N 2 1 291.417 -0.764 20 0 CBADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330366920 352815504 /nfs/dbraw/zinc/81/55/04/352815504.db2.gz GQYKSUUNSPFWTP-NSHDSACASA-N 2 1 272.374 -0.056 20 0 CBADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330366920 352815506 /nfs/dbraw/zinc/81/55/06/352815506.db2.gz GQYKSUUNSPFWTP-NSHDSACASA-N 2 1 272.374 -0.056 20 0 CBADMP CC[C@H](C(=O)NC1CC[NH+](CC(=O)NC)CC1)[NH+](C)C ZINC000330436344 352824770 /nfs/dbraw/zinc/82/47/70/352824770.db2.gz PHXFYSLGECTLNM-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP COC[C@@]1(C(=O)NCCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000313608642 352778184 /nfs/dbraw/zinc/77/81/84/352778184.db2.gz CLDCLCIAWDRJEG-CQSZACIVSA-N 2 1 285.388 -0.549 20 0 CBADMP C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000330490930 352834411 /nfs/dbraw/zinc/83/44/11/352834411.db2.gz NCBKDMCPRBHRBR-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@@H+](CCCO)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000330490930 352834417 /nfs/dbraw/zinc/83/44/17/352834417.db2.gz NCBKDMCPRBHRBR-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000330490930 352834421 /nfs/dbraw/zinc/83/44/21/352834421.db2.gz NCBKDMCPRBHRBR-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCCO)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000330490930 352834426 /nfs/dbraw/zinc/83/44/26/352834426.db2.gz NCBKDMCPRBHRBR-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H](CO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000330523997 352840223 /nfs/dbraw/zinc/84/02/23/352840223.db2.gz IYSNGSKHEFJHRZ-NSHDSACASA-N 2 1 265.361 -0.301 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](OC)C[C@H]2CO)CC1 ZINC000330546881 352844624 /nfs/dbraw/zinc/84/46/24/352844624.db2.gz PTYHLUVWYKONRV-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](OC)C[C@H]2CO)CC1 ZINC000330546881 352844628 /nfs/dbraw/zinc/84/46/28/352844628.db2.gz PTYHLUVWYKONRV-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000331467377 352916673 /nfs/dbraw/zinc/91/66/73/352916673.db2.gz NREWFTOMAVMCEH-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP O=C(NCCCN1CC[NH2+]CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000331483449 352918176 /nfs/dbraw/zinc/91/81/76/352918176.db2.gz IUAUINICXCYPJN-CQSZACIVSA-N 2 1 295.431 -0.229 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000331479407 352918554 /nfs/dbraw/zinc/91/85/54/352918554.db2.gz LMSLBZWJNBYZKZ-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000331492920 352919344 /nfs/dbraw/zinc/91/93/44/352919344.db2.gz RIVOYCOLZHSGDG-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000331503645 352919988 /nfs/dbraw/zinc/91/99/88/352919988.db2.gz SLOUMKIVZZUBGI-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332620039 352970709 /nfs/dbraw/zinc/97/07/09/352970709.db2.gz TYUYAQRXEJTZLR-AGIUHOORSA-N 2 1 294.399 -0.593 20 0 CBADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000332632567 352971534 /nfs/dbraw/zinc/97/15/34/352971534.db2.gz VFHIZALHDCOOQK-CHWSQXEVSA-N 2 1 294.399 -0.367 20 0 CBADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000332632567 352971540 /nfs/dbraw/zinc/97/15/40/352971540.db2.gz VFHIZALHDCOOQK-CHWSQXEVSA-N 2 1 294.399 -0.367 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC[NH2+]1 ZINC000332650722 352972681 /nfs/dbraw/zinc/97/26/81/352972681.db2.gz UKLIQOVLAVTZOR-FRRDWIJNSA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332666991 352973832 /nfs/dbraw/zinc/97/38/32/352973832.db2.gz AJRSNFKAKJISOC-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332666991 352973836 /nfs/dbraw/zinc/97/38/36/352973836.db2.gz AJRSNFKAKJISOC-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332736376 352980663 /nfs/dbraw/zinc/98/06/63/352980663.db2.gz VKKKELPEMIIELE-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332736376 352980668 /nfs/dbraw/zinc/98/06/68/352980668.db2.gz VKKKELPEMIIELE-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000332449622 352952354 /nfs/dbraw/zinc/95/23/54/352952354.db2.gz FQJJRMUEHWIESE-LLVKDONJSA-N 2 1 270.377 -0.424 20 0 CBADMP C[C@@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[N@@H+](C)C1CC1 ZINC000333355132 353000724 /nfs/dbraw/zinc/00/07/24/353000724.db2.gz KELFHTGDQVWDKA-OHBODLIOSA-N 2 1 252.362 -0.014 20 0 CBADMP C[C@H]1C[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C[N@H+]1C1CC1 ZINC000333365567 353000865 /nfs/dbraw/zinc/00/08/65/353000865.db2.gz LSWWUOQHRWOJFD-RYUDHWBXSA-N 2 1 294.399 -0.005 20 0 CBADMP C[N@@H+](CCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000333440250 353001619 /nfs/dbraw/zinc/00/16/19/353001619.db2.gz VYTFXDZHNNUHJG-CQSZACIVSA-N 2 1 295.431 -0.230 20 0 CBADMP C[C@@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)CC[NH2+]1 ZINC000333539575 353002244 /nfs/dbraw/zinc/00/22/44/353002244.db2.gz JBMFCMGSCWSMJR-GFCCVEGCSA-N 2 1 270.377 -0.288 20 0 CBADMP C[C@H]1CC2(C[N@H+]1CC(=O)N1CCNC(=O)C1)CC[NH2+]CC2 ZINC000333644523 353006193 /nfs/dbraw/zinc/00/61/93/353006193.db2.gz XVXBUEJGAWAWRA-LBPRGKRZSA-N 2 1 294.399 -0.591 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H]1CCC[NH+]1C ZINC000333706569 353007787 /nfs/dbraw/zinc/00/77/87/353007787.db2.gz FTMJFRKFZVLINW-OLZOCXBDSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H]1CCC[NH+]1C ZINC000333706569 353007791 /nfs/dbraw/zinc/00/77/91/353007791.db2.gz FTMJFRKFZVLINW-OLZOCXBDSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000333706569 353007793 /nfs/dbraw/zinc/00/77/93/353007793.db2.gz FTMJFRKFZVLINW-OLZOCXBDSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000333706569 353007796 /nfs/dbraw/zinc/00/77/96/353007796.db2.gz FTMJFRKFZVLINW-OLZOCXBDSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000333692925 353008021 /nfs/dbraw/zinc/00/80/21/353008021.db2.gz PXJFBGJPOONWGU-AVGNSLFASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000333692929 353008188 /nfs/dbraw/zinc/00/81/88/353008188.db2.gz PXJFBGJPOONWGU-UPJWGTAASA-N 2 1 284.404 -0.165 20 0 CBADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333768296 353009767 /nfs/dbraw/zinc/00/97/67/353009767.db2.gz BPBVCTVHRAMLPW-ITGUQSILSA-N 2 1 296.415 -0.044 20 0 CBADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333768296 353009770 /nfs/dbraw/zinc/00/97/70/353009770.db2.gz BPBVCTVHRAMLPW-ITGUQSILSA-N 2 1 296.415 -0.044 20 0 CBADMP C[C@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@H+]1CC(C)(C)O ZINC000333769320 353010192 /nfs/dbraw/zinc/01/01/92/353010192.db2.gz BUIHWOZYCVOYOM-WUHRBBMRSA-N 2 1 296.415 -0.309 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000333912906 353013772 /nfs/dbraw/zinc/01/37/72/353013772.db2.gz FQPITZGTXBPKOS-AVGNSLFASA-N 2 1 282.388 -0.099 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336828365 353060946 /nfs/dbraw/zinc/06/09/46/353060946.db2.gz KBZDCNQWUMGTRV-CYBMUJFWSA-N 2 1 286.420 -0.066 20 0 CBADMP CC[C@H](CO)[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336841978 353063278 /nfs/dbraw/zinc/06/32/78/353063278.db2.gz SYIPRLGMPPIRHZ-UKRRQHHQSA-N 2 1 285.432 -0.170 20 0 CBADMP C[NH+](C[C@H](O)C[N@@H+](C)CC1(O)CCOCC1)C1CC1 ZINC000336807978 353057157 /nfs/dbraw/zinc/05/71/57/353057157.db2.gz ARPLMNYCCGQXME-CYBMUJFWSA-N 2 1 272.389 -0.085 20 0 CBADMP C[NH+](C[C@H](O)C[N@H+](C)CC1(O)CCOCC1)C1CC1 ZINC000336807978 353057162 /nfs/dbraw/zinc/05/71/62/353057162.db2.gz ARPLMNYCCGQXME-CYBMUJFWSA-N 2 1 272.389 -0.085 20 0 CBADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC1(O)CCOCC1 ZINC000336807978 353057166 /nfs/dbraw/zinc/05/71/66/353057166.db2.gz ARPLMNYCCGQXME-CYBMUJFWSA-N 2 1 272.389 -0.085 20 0 CBADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC1(O)CCOCC1 ZINC000336807978 353057168 /nfs/dbraw/zinc/05/71/68/353057168.db2.gz ARPLMNYCCGQXME-CYBMUJFWSA-N 2 1 272.389 -0.085 20 0 CBADMP CNC(=O)CCC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338269996 353092754 /nfs/dbraw/zinc/09/27/54/353092754.db2.gz KRPPIWHSCZNKFK-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CNC(=O)CCC[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338269996 353092758 /nfs/dbraw/zinc/09/27/58/353092758.db2.gz KRPPIWHSCZNKFK-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CC[C@@](C)([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(N)=O ZINC000338287896 353093525 /nfs/dbraw/zinc/09/35/25/353093525.db2.gz VFNGCWYEEPUXGH-CYBMUJFWSA-N 2 1 270.377 -0.606 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C(C)(C)CC(N)=O)CC1 ZINC000338306477 353094206 /nfs/dbraw/zinc/09/42/06/353094206.db2.gz VEAUHCMFHLGKEP-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1CO ZINC000338362561 353098893 /nfs/dbraw/zinc/09/88/93/353098893.db2.gz PZLXTDAVHKFHEY-OLZOCXBDSA-N 2 1 269.389 -0.289 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1CO ZINC000338362561 353098898 /nfs/dbraw/zinc/09/88/98/353098898.db2.gz PZLXTDAVHKFHEY-OLZOCXBDSA-N 2 1 269.389 -0.289 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1(CO)CCOCC1 ZINC000338371922 353099313 /nfs/dbraw/zinc/09/93/13/353099313.db2.gz XJNJJMWMGSSISY-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1(CO)CCOCC1 ZINC000338371922 353099314 /nfs/dbraw/zinc/09/93/14/353099314.db2.gz XJNJJMWMGSSISY-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOC)C1 ZINC000152294825 188007558 /nfs/dbraw/zinc/00/75/58/188007558.db2.gz IDNRNEIQTFQABC-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOC)C1 ZINC000152294825 188007559 /nfs/dbraw/zinc/00/75/59/188007559.db2.gz IDNRNEIQTFQABC-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339633075 353135472 /nfs/dbraw/zinc/13/54/72/353135472.db2.gz ZLVIOCRPWGTSBV-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000339582887 353135614 /nfs/dbraw/zinc/13/56/14/353135614.db2.gz SYIFLGKKQUNTRY-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]([NH3+])CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000340185805 353155953 /nfs/dbraw/zinc/15/59/53/353155953.db2.gz PFWVVTDJLOILBX-QWRGUYRKSA-N 2 1 270.377 -0.573 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340483005 353172776 /nfs/dbraw/zinc/17/27/76/353172776.db2.gz ZWNGCGFNMBGNKK-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)C1CCN(CCNC(=O)N2CC[NH+](C)CC2)CC1 ZINC000340251694 353160932 /nfs/dbraw/zinc/16/09/32/353160932.db2.gz UEPYATMXCOVQOK-UHFFFAOYSA-N 2 1 297.447 -0.031 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340814166 353187935 /nfs/dbraw/zinc/18/79/35/353187935.db2.gz GMXYQYYCTYNQMI-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C)C(=O)N1CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000341163785 353204331 /nfs/dbraw/zinc/20/43/31/353204331.db2.gz AUKPQQQYPBGUAN-GFCCVEGCSA-N 2 1 272.393 -0.356 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000341253657 353207479 /nfs/dbraw/zinc/20/74/79/353207479.db2.gz DDRBJEHDMDOIJJ-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000341253657 353207481 /nfs/dbraw/zinc/20/74/81/353207481.db2.gz DDRBJEHDMDOIJJ-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000341253657 353207483 /nfs/dbraw/zinc/20/74/83/353207483.db2.gz DDRBJEHDMDOIJJ-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C(=O)N(C)C ZINC000342077446 353219006 /nfs/dbraw/zinc/21/90/06/353219006.db2.gz BVDVBUICVDTEMN-ZDEQEGDKSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C(=O)N(C)C ZINC000342077446 353219007 /nfs/dbraw/zinc/21/90/07/353219007.db2.gz BVDVBUICVDTEMN-ZDEQEGDKSA-N 2 1 296.415 -0.362 20 0 CBADMP COC(=O)c1cn(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)nn1 ZINC000342807026 353233164 /nfs/dbraw/zinc/23/31/64/353233164.db2.gz VKQYIJAKCBMZLU-WDEREUQCSA-N 2 1 281.360 -0.006 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000342695885 353228241 /nfs/dbraw/zinc/22/82/41/353228241.db2.gz GLOPRDBWGOOILP-WDEREUQCSA-N 2 1 271.361 -0.133 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000342704035 353228308 /nfs/dbraw/zinc/22/83/08/353228308.db2.gz KWILEVLHKKTVSB-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000342737574 353230412 /nfs/dbraw/zinc/23/04/12/353230412.db2.gz NFOWFCRIUUCEMM-UWVGGRQHSA-N 2 1 257.334 -0.571 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000342737574 353230414 /nfs/dbraw/zinc/23/04/14/353230414.db2.gz NFOWFCRIUUCEMM-UWVGGRQHSA-N 2 1 257.334 -0.571 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000342736210 353230574 /nfs/dbraw/zinc/23/05/74/353230574.db2.gz MTVXKRJBVSPCDU-MWLCHTKSSA-N 2 1 269.345 -0.380 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000342753073 353230943 /nfs/dbraw/zinc/23/09/43/353230943.db2.gz PBGMFXZGLAUFOG-ZJUUUORDSA-N 2 1 257.334 -0.523 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343485957 353275015 /nfs/dbraw/zinc/27/50/15/353275015.db2.gz QGICQYREJVPPMJ-ZDUSSCGKSA-N 2 1 298.456 -0.459 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343485957 353275018 /nfs/dbraw/zinc/27/50/18/353275018.db2.gz QGICQYREJVPPMJ-ZDUSSCGKSA-N 2 1 298.456 -0.459 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+](C)C1CC1 ZINC000343245341 353261808 /nfs/dbraw/zinc/26/18/08/353261808.db2.gz CCEPONGOZFKMCZ-JSGCOSHPSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)[N@H+](C)C1CC1 ZINC000343245341 353261812 /nfs/dbraw/zinc/26/18/12/353261812.db2.gz CCEPONGOZFKMCZ-JSGCOSHPSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)[N@@H+](C)C1CC1 ZINC000343245341 353261814 /nfs/dbraw/zinc/26/18/14/353261814.db2.gz CCEPONGOZFKMCZ-JSGCOSHPSA-N 2 1 280.416 -0.025 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1=CC[NH+](C)CC1 ZINC000343694445 353285352 /nfs/dbraw/zinc/28/53/52/353285352.db2.gz NZDUGTQWFOLESF-CQSZACIVSA-N 2 1 295.431 -0.207 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000343694445 353285354 /nfs/dbraw/zinc/28/53/54/353285354.db2.gz NZDUGTQWFOLESF-CQSZACIVSA-N 2 1 295.431 -0.207 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000343694445 353285355 /nfs/dbraw/zinc/28/53/55/353285355.db2.gz NZDUGTQWFOLESF-CQSZACIVSA-N 2 1 295.431 -0.207 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343573326 353279879 /nfs/dbraw/zinc/27/98/79/353279879.db2.gz YSEMAKSBPYCNCS-STQMWFEESA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343573326 353279882 /nfs/dbraw/zinc/27/98/82/353279882.db2.gz YSEMAKSBPYCNCS-STQMWFEESA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343573326 353279884 /nfs/dbraw/zinc/27/98/84/353279884.db2.gz YSEMAKSBPYCNCS-STQMWFEESA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343573326 353279886 /nfs/dbraw/zinc/27/98/86/353279886.db2.gz YSEMAKSBPYCNCS-STQMWFEESA-N 2 1 266.389 -0.461 20 0 CBADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000189310689 137658718 /nfs/dbraw/zinc/65/87/18/137658718.db2.gz JEHJNHRXWQPZCF-RWMBFGLXSA-N 2 1 285.388 -0.722 20 0 CBADMP CS[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH+](C)C ZINC000344734461 353306233 /nfs/dbraw/zinc/30/62/33/353306233.db2.gz WJBXGSHRLRQTTR-GRYCIOLGSA-N 2 1 287.429 -0.179 20 0 CBADMP CS[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH+](C)C ZINC000344734461 353306234 /nfs/dbraw/zinc/30/62/34/353306234.db2.gz WJBXGSHRLRQTTR-GRYCIOLGSA-N 2 1 287.429 -0.179 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000345305863 353321973 /nfs/dbraw/zinc/32/19/73/353321973.db2.gz DAKJPUCSLCUYQP-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000345305863 353321974 /nfs/dbraw/zinc/32/19/74/353321974.db2.gz DAKJPUCSLCUYQP-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@H](C[NH+](C)C)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000346127240 353363086 /nfs/dbraw/zinc/36/30/86/353363086.db2.gz CGMOSYBVPSNCDG-NEPJUHHUSA-N 2 1 256.394 -0.311 20 0 CBADMP Cn1cc(C[N@@H+](C)CC(C)(C)C[NH3+])c(=O)n(C)c1=O ZINC000346687514 353390415 /nfs/dbraw/zinc/39/04/15/353390415.db2.gz WKOWISMEDIWOIA-UHFFFAOYSA-N 2 1 268.361 -0.499 20 0 CBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)C2)C1 ZINC000346325499 353371151 /nfs/dbraw/zinc/37/11/51/353371151.db2.gz NXFKHWUXNBPOPL-GOEBONIOSA-N 2 1 292.427 -0.070 20 0 CBADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C2)C1 ZINC000346325499 353371152 /nfs/dbraw/zinc/37/11/52/353371152.db2.gz NXFKHWUXNBPOPL-GOEBONIOSA-N 2 1 292.427 -0.070 20 0 CBADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)C2)C1 ZINC000346325499 353371153 /nfs/dbraw/zinc/37/11/53/353371153.db2.gz NXFKHWUXNBPOPL-GOEBONIOSA-N 2 1 292.427 -0.070 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CCOC2C[NH2+]C2)CC[N@H+]1C ZINC000348988510 353443357 /nfs/dbraw/zinc/44/33/57/353443357.db2.gz HXODRRVWEKSSTK-MNOVXSKESA-N 2 1 255.362 -0.036 20 0 CBADMP O=C(CCOC1C[NH2+]C1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000349004264 353444014 /nfs/dbraw/zinc/44/40/14/353444014.db2.gz RCNODSNIYMWXQI-LLVKDONJSA-N 2 1 267.373 -0.035 20 0 CBADMP CC1(C)C[N@H+](CCNC(=O)CCOC2C[NH2+]C2)CCO1 ZINC000349024368 353444651 /nfs/dbraw/zinc/44/46/51/353444651.db2.gz DSLROCMOVFVCIV-UHFFFAOYSA-N 2 1 285.388 -0.408 20 0 CBADMP CC1(C)C[N@@H+](CCNC(=O)CCOC2C[NH2+]C2)CCO1 ZINC000349024368 353444654 /nfs/dbraw/zinc/44/46/54/353444654.db2.gz DSLROCMOVFVCIV-UHFFFAOYSA-N 2 1 285.388 -0.408 20 0 CBADMP C[C@@H](CNC(=O)CCOC1C[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000349006214 353444805 /nfs/dbraw/zinc/44/48/05/353444805.db2.gz TYEIWFVPIGCYCD-ZDUSSCGKSA-N 2 1 298.431 -0.635 20 0 CBADMP C[C@H](CNC(=O)CCOC1C[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000349006207 353444897 /nfs/dbraw/zinc/44/48/97/353444897.db2.gz TYEIWFVPIGCYCD-CYBMUJFWSA-N 2 1 298.431 -0.635 20 0 CBADMP C[C@@H](CNC(=O)CCOC1C[NH2+]C1)C[NH+]1CCOCC1 ZINC000349023239 353444995 /nfs/dbraw/zinc/44/49/95/353444995.db2.gz BTFMZJHLUANHBD-LBPRGKRZSA-N 2 1 285.388 -0.551 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000349009549 353445031 /nfs/dbraw/zinc/44/50/31/353445031.db2.gz XGRWPSCRHLLNLZ-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351516527 353475783 /nfs/dbraw/zinc/47/57/83/353475783.db2.gz GFIUBMABENOZSJ-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351496368 353475873 /nfs/dbraw/zinc/47/58/73/353475873.db2.gz RKCUFUGIHDTAEV-QJPTWQEYSA-N 2 1 255.362 -0.192 20 0 CBADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351496368 353475874 /nfs/dbraw/zinc/47/58/74/353475874.db2.gz RKCUFUGIHDTAEV-QJPTWQEYSA-N 2 1 255.362 -0.192 20 0 CBADMP C[C@@H]1C[NH+](CCOCC[N@H+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000351774907 353476907 /nfs/dbraw/zinc/47/69/07/353476907.db2.gz PHAYFZWVNWIYNU-KPWCQOOUSA-N 2 1 272.389 -0.372 20 0 CBADMP C[C@@H]1C[N@@H+](CCOCC[NH+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000351774907 353476911 /nfs/dbraw/zinc/47/69/11/353476911.db2.gz PHAYFZWVNWIYNU-KPWCQOOUSA-N 2 1 272.389 -0.372 20 0 CBADMP C[C@@H]1C[N@H+](CCOCC[NH+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000351774907 353476913 /nfs/dbraw/zinc/47/69/13/353476913.db2.gz PHAYFZWVNWIYNU-KPWCQOOUSA-N 2 1 272.389 -0.372 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000353072201 353520301 /nfs/dbraw/zinc/52/03/01/353520301.db2.gz SEUPCONGRFJCSV-UHFFFAOYSA-N 2 1 270.377 -0.782 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000353118564 353521488 /nfs/dbraw/zinc/52/14/88/353521488.db2.gz XPPXJWABAGNDRN-LBPRGKRZSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000353118564 353521492 /nfs/dbraw/zinc/52/14/92/353521492.db2.gz XPPXJWABAGNDRN-LBPRGKRZSA-N 2 1 284.404 -0.211 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353217394 353528574 /nfs/dbraw/zinc/52/85/74/353528574.db2.gz YKQKAOHLOMGHDB-ZDUSSCGKSA-N 2 1 284.404 -0.408 20 0 CBADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353245650 353530308 /nfs/dbraw/zinc/53/03/08/353530308.db2.gz OUPUCRUXTPEZAR-WDEREUQCSA-N 2 1 270.377 -0.717 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353245650 353530309 /nfs/dbraw/zinc/53/03/09/353530309.db2.gz OUPUCRUXTPEZAR-WDEREUQCSA-N 2 1 270.377 -0.717 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[C@H]1O ZINC000352660318 353499828 /nfs/dbraw/zinc/49/98/28/353499828.db2.gz NGUUNHHMKZOSNQ-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[C@H]1O ZINC000352660318 353499830 /nfs/dbraw/zinc/49/98/30/353499830.db2.gz NGUUNHHMKZOSNQ-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CC[NH+](C)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000355486575 353592512 /nfs/dbraw/zinc/59/25/12/353592512.db2.gz QJZZFJXWVXYIEI-KGLIPLIRSA-N 2 1 297.447 -0.032 20 0 CBADMP CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000357066140 353601111 /nfs/dbraw/zinc/60/11/11/353601111.db2.gz BQIZDHBRJIUJFW-LLVKDONJSA-N 2 1 279.406 -0.635 20 0 CBADMP C[NH2+]CCC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000357178571 353601747 /nfs/dbraw/zinc/60/17/47/353601747.db2.gz SNHYOHDUXJSRAT-JTQLQIEISA-N 2 1 256.350 -0.948 20 0 CBADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358075588 353625707 /nfs/dbraw/zinc/62/57/07/353625707.db2.gz UBQNZINXUSVMJU-AWEZNQCLSA-N 2 1 278.356 -0.056 20 0 CBADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358075588 353625709 /nfs/dbraw/zinc/62/57/09/353625709.db2.gz UBQNZINXUSVMJU-AWEZNQCLSA-N 2 1 278.356 -0.056 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000358110707 353626998 /nfs/dbraw/zinc/62/69/98/353626998.db2.gz NECMHHUXMCGIQR-UHFFFAOYSA-N 2 1 286.420 -0.146 20 0 CBADMP C[C@H](C[NH+](C)C)NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000358491415 353647254 /nfs/dbraw/zinc/64/72/54/353647254.db2.gz FDUKCHZTZRWSFQ-NEPJUHHUSA-N 2 1 272.393 -0.356 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000358501790 353648159 /nfs/dbraw/zinc/64/81/59/353648159.db2.gz OGXKEABBWNIDBR-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C[C@@]1(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CCCC[NH2+]1 ZINC000357811236 353607620 /nfs/dbraw/zinc/60/76/20/353607620.db2.gz TVWUINHQEDFEHD-DOMZBBRYSA-N 2 1 296.415 -0.025 20 0 CBADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H](C(N)=O)O1 ZINC000359200736 353652294 /nfs/dbraw/zinc/65/22/94/353652294.db2.gz GXJRCDWQWQJJHN-JQWIXIFHSA-N 2 1 255.362 -0.049 20 0 CBADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000357906557 353613573 /nfs/dbraw/zinc/61/35/73/353613573.db2.gz DNDICFBZFFXIHA-KBPBESRZSA-N 2 1 298.431 -0.901 20 0 CBADMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357906562 353613609 /nfs/dbraw/zinc/61/36/09/353613609.db2.gz DNDICFBZFFXIHA-ZIAGYGMSSA-N 2 1 298.431 -0.901 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000357939372 353616064 /nfs/dbraw/zinc/61/60/64/353616064.db2.gz ZIYYYVWMOKTMAR-YNEHKIRRSA-N 2 1 269.389 -0.101 20 0 CBADMP CCCNC(=O)CN1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826659 353668228 /nfs/dbraw/zinc/66/82/28/353668228.db2.gz PMJYPLDEBFWETH-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP CC(C)CNC(=O)CN1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362827089 353668474 /nfs/dbraw/zinc/66/84/74/353668474.db2.gz RRJRXDZEXRNZLD-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+]([C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCNC1=O ZINC000363478487 353669718 /nfs/dbraw/zinc/66/97/18/353669718.db2.gz LUKNLUZCCZPGJB-KGLIPLIRSA-N 2 1 280.416 -0.025 20 0 CBADMP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000364288659 353671392 /nfs/dbraw/zinc/67/13/92/353671392.db2.gz GMNMATLCPKTURO-QWHCGFSZSA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)C1 ZINC000364574230 353671904 /nfs/dbraw/zinc/67/19/04/353671904.db2.gz DAMASJPHFPUNOE-ZIAGYGMSSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000366951277 353679045 /nfs/dbraw/zinc/67/90/45/353679045.db2.gz JVFCKNVKPSYVCB-YNEHKIRRSA-N 2 1 284.404 -0.803 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000366951277 353679046 /nfs/dbraw/zinc/67/90/46/353679046.db2.gz JVFCKNVKPSYVCB-YNEHKIRRSA-N 2 1 284.404 -0.803 20 0 CBADMP O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)C1C[NH2+]C1 ZINC000367831406 353683865 /nfs/dbraw/zinc/68/38/65/353683865.db2.gz LDAMMTBOWWIFMX-NEPJUHHUSA-N 2 1 253.346 -0.425 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)C1C[NH2+]C1 ZINC000367831406 353683866 /nfs/dbraw/zinc/68/38/66/353683866.db2.gz LDAMMTBOWWIFMX-NEPJUHHUSA-N 2 1 253.346 -0.425 20 0 CBADMP O=C(NCC[N@@H+]1CC=CCC1)[C@H]1C[NH+]2CCN1CCC2 ZINC000373759212 353735708 /nfs/dbraw/zinc/73/57/08/353735708.db2.gz RDCDFPIIKQITOC-CQSZACIVSA-N 2 1 278.400 -0.246 20 0 CBADMP O=C(NCC[NH+]1CC=CCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000373759212 353735710 /nfs/dbraw/zinc/73/57/10/353735710.db2.gz RDCDFPIIKQITOC-CQSZACIVSA-N 2 1 278.400 -0.246 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCN1CCC2)C1CC1 ZINC000371345853 353700894 /nfs/dbraw/zinc/70/08/94/353700894.db2.gz SUTVTFACFARAFZ-CQSZACIVSA-N 2 1 280.416 -0.023 20 0 CBADMP O[C@@H](CN1C[C@H](O)C2(CC2)C1)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000373180307 353727279 /nfs/dbraw/zinc/72/72/79/353727279.db2.gz OCIHQMQEBSQRSV-XYYAHUGASA-N 2 1 282.384 -0.739 20 0 CBADMP O[C@H](CN1C[C@@H](O)C2(CC2)C1)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000373180307 353727281 /nfs/dbraw/zinc/72/72/81/353727281.db2.gz OCIHQMQEBSQRSV-XYYAHUGASA-N 2 1 282.384 -0.739 20 0 CBADMP O[C@H](CN1C[C@@H](O)C2(CC2)C1)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000373180307 353727284 /nfs/dbraw/zinc/72/72/84/353727284.db2.gz OCIHQMQEBSQRSV-XYYAHUGASA-N 2 1 282.384 -0.739 20 0 CBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)CCC[NH3+])CC2)C1 ZINC000375857608 353768089 /nfs/dbraw/zinc/76/80/89/353768089.db2.gz CWUYHONQDHELHU-CQSZACIVSA-N 2 1 298.431 -0.410 20 0 CBADMP CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)CCC[NH3+])CC2)C1 ZINC000375857608 353768090 /nfs/dbraw/zinc/76/80/90/353768090.db2.gz CWUYHONQDHELHU-CQSZACIVSA-N 2 1 298.431 -0.410 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@@H]3CCOC(=O)[C@@H]32)CC1 ZINC000375888824 353769147 /nfs/dbraw/zinc/76/91/47/353769147.db2.gz IBNSBNOZCPOOEN-TZMCWYRMSA-N 2 1 295.383 -0.212 20 0 CBADMP CN1CCN(C(=O)CCN2CC[C@@H]3CCOC(=O)[C@@H]32)CC1 ZINC000375888824 353769150 /nfs/dbraw/zinc/76/91/50/353769150.db2.gz IBNSBNOZCPOOEN-TZMCWYRMSA-N 2 1 295.383 -0.212 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000376252274 353773741 /nfs/dbraw/zinc/77/37/41/353773741.db2.gz GPTGPPVYKSZIQW-SNVBAGLBSA-N 2 1 293.371 -0.494 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000376719515 353775594 /nfs/dbraw/zinc/77/55/94/353775594.db2.gz DFLISQZFGPZJDP-YPMHNXCESA-N 2 1 273.352 -0.085 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000377198684 353777755 /nfs/dbraw/zinc/77/77/55/353777755.db2.gz QSTOEYNNHUCFLB-CHWSQXEVSA-N 2 1 280.416 -0.119 20 0 CBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000377198684 353777758 /nfs/dbraw/zinc/77/77/58/353777758.db2.gz QSTOEYNNHUCFLB-CHWSQXEVSA-N 2 1 280.416 -0.119 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378230641 353780176 /nfs/dbraw/zinc/78/01/76/353780176.db2.gz QAIPHTLLDDVTQJ-XQQFMLRXSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C[C@H]1C[NH3+] ZINC000379959550 353782074 /nfs/dbraw/zinc/78/20/74/353782074.db2.gz DNFHLQFRFHERKN-WDEREUQCSA-N 2 1 263.407 -0.206 20 0 CBADMP C[C@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C[C@H]1C[NH3+] ZINC000379959550 353782076 /nfs/dbraw/zinc/78/20/76/353782076.db2.gz DNFHLQFRFHERKN-WDEREUQCSA-N 2 1 263.407 -0.206 20 0 CBADMP C[S@@](=O)C1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000380236796 353782085 /nfs/dbraw/zinc/78/20/85/353782085.db2.gz ARTMQMNWUIEYQF-PIGZYNQJSA-N 2 1 260.403 -0.056 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CC(N)=O ZINC000381276810 353783045 /nfs/dbraw/zinc/78/30/45/353783045.db2.gz TWMOJFWYANSWNT-JTQLQIEISA-N 2 1 261.366 -0.831 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CC(N)=O ZINC000381276810 353783050 /nfs/dbraw/zinc/78/30/50/353783050.db2.gz TWMOJFWYANSWNT-JTQLQIEISA-N 2 1 261.366 -0.831 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380885425 353783409 /nfs/dbraw/zinc/78/34/09/353783409.db2.gz ALHQRIKTPBKLRH-PTRXPTGYSA-N 2 1 254.334 -0.369 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380885425 353783412 /nfs/dbraw/zinc/78/34/12/353783412.db2.gz ALHQRIKTPBKLRH-PTRXPTGYSA-N 2 1 254.334 -0.369 20 0 CBADMP CO[C@@]1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000381400643 353783911 /nfs/dbraw/zinc/78/39/11/353783911.db2.gz WLMKXOKMXBVQPS-QWHCGFSZSA-N 2 1 258.362 -0.163 20 0 CBADMP CO[C@@]1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000381400643 353783914 /nfs/dbraw/zinc/78/39/14/353783914.db2.gz WLMKXOKMXBVQPS-QWHCGFSZSA-N 2 1 258.362 -0.163 20 0 CBADMP CNC(=O)[C@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000407983365 353817130 /nfs/dbraw/zinc/81/71/30/353817130.db2.gz PPQDLJAZFWCKAI-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP CNC(=O)[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000407983365 353817132 /nfs/dbraw/zinc/81/71/32/353817132.db2.gz PPQDLJAZFWCKAI-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000385364196 353787553 /nfs/dbraw/zinc/78/75/53/353787553.db2.gz LGPFKYOJZXUXCF-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C)C[C@@H]1CCC[NH+]1C ZINC000388891485 353790274 /nfs/dbraw/zinc/79/02/74/353790274.db2.gz FWFWMVPSIDCIQY-KBPBESRZSA-N 2 1 273.421 -0.049 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000388891485 353790276 /nfs/dbraw/zinc/79/02/76/353790276.db2.gz FWFWMVPSIDCIQY-KBPBESRZSA-N 2 1 273.421 -0.049 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN(C)C[C@@H]1CCC[N@H+]1C ZINC000388891485 353790279 /nfs/dbraw/zinc/79/02/79/353790279.db2.gz FWFWMVPSIDCIQY-KBPBESRZSA-N 2 1 273.421 -0.049 20 0 CBADMP C[C@@H]1C[C@H](O)C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000412032058 353942849 /nfs/dbraw/zinc/94/28/49/353942849.db2.gz HGOOVOVLWZTXCY-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1C[C@H](O)C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000412032058 353942850 /nfs/dbraw/zinc/94/28/50/353942850.db2.gz HGOOVOVLWZTXCY-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000418394629 353996804 /nfs/dbraw/zinc/99/68/04/353996804.db2.gz XZXYBNIDJCEECI-NWDGAFQWSA-N 2 1 284.404 -0.165 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000418411177 353996892 /nfs/dbraw/zinc/99/68/92/353996892.db2.gz PZXSZYRBXNEPIH-RYUDHWBXSA-N 2 1 272.393 -0.322 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000418411177 353996897 /nfs/dbraw/zinc/99/68/97/353996897.db2.gz PZXSZYRBXNEPIH-RYUDHWBXSA-N 2 1 272.393 -0.322 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C[NH3+])C1 ZINC000416873439 353973809 /nfs/dbraw/zinc/97/38/09/353973809.db2.gz RQJAFCACVOQUMI-NWDGAFQWSA-N 2 1 272.393 -0.010 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H](C[NH3+])C2CC2)[C@H](C)C1 ZINC000418409093 353997011 /nfs/dbraw/zinc/99/70/11/353997011.db2.gz VGXAQJGRGWAXGI-NTZNESFSSA-N 2 1 284.404 -0.180 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000418398946 353997037 /nfs/dbraw/zinc/99/70/37/353997037.db2.gz WSVTYPFALHZBNJ-VXGBXAGGSA-N 2 1 272.393 -0.450 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000418398946 353997041 /nfs/dbraw/zinc/99/70/41/353997041.db2.gz WSVTYPFALHZBNJ-VXGBXAGGSA-N 2 1 272.393 -0.450 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)NCCC[N@@H+](C)CCOC)C1 ZINC000417087284 353975441 /nfs/dbraw/zinc/97/54/41/353975441.db2.gz DXCWSYXCQBSHRF-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000418398942 353997075 /nfs/dbraw/zinc/99/70/75/353997075.db2.gz WSVTYPFALHZBNJ-NEPJUHHUSA-N 2 1 272.393 -0.450 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000418398942 353997077 /nfs/dbraw/zinc/99/70/77/353997077.db2.gz WSVTYPFALHZBNJ-NEPJUHHUSA-N 2 1 272.393 -0.450 20 0 CBADMP COCC[NH+]1CCC(NC(=O)NCC(F)(F)C[NH3+])CC1 ZINC000417294495 353976562 /nfs/dbraw/zinc/97/65/62/353976562.db2.gz IFDZEUVFNQGURK-UHFFFAOYSA-N 2 1 294.346 -0.010 20 0 CBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000417570470 353980147 /nfs/dbraw/zinc/98/01/47/353980147.db2.gz RXFRDZYWIFEGHI-JTQLQIEISA-N 2 1 294.346 -0.010 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000417570470 353980149 /nfs/dbraw/zinc/98/01/49/353980149.db2.gz RXFRDZYWIFEGHI-JTQLQIEISA-N 2 1 294.346 -0.010 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000417698945 353981107 /nfs/dbraw/zinc/98/11/07/353981107.db2.gz FJTARZOMMCDWDS-NWDGAFQWSA-N 2 1 270.377 -0.256 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000417709421 353981874 /nfs/dbraw/zinc/98/18/74/353981874.db2.gz OVCQHHNOUJZXAH-NSHDSACASA-N 2 1 270.377 -0.112 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000417713628 353982227 /nfs/dbraw/zinc/98/22/27/353982227.db2.gz GRMBXTPHLWXAEX-NWDGAFQWSA-N 2 1 272.393 -0.009 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)NC[C@H](C)C[NH3+] ZINC000417748420 353983099 /nfs/dbraw/zinc/98/30/99/353983099.db2.gz IEUSGEBIPLQBTK-LLVKDONJSA-N 2 1 260.382 -0.151 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCC[N@H+]1C ZINC000418011598 353986209 /nfs/dbraw/zinc/98/62/09/353986209.db2.gz XBRSGUVTBIJWPY-WYUUTHIRSA-N 2 1 270.377 -0.557 20 0 CBADMP O=C(NCCCN1CC[NH2+]CC1)N1CC[NH+](C2CC2)CC1 ZINC000418286959 353990449 /nfs/dbraw/zinc/99/04/49/353990449.db2.gz IZVPPZBEUPHXIQ-UHFFFAOYSA-N 2 1 295.431 -0.229 20 0 CBADMP C[NH2+]CCCNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000418280276 353990550 /nfs/dbraw/zinc/99/05/50/353990550.db2.gz RGDRMLZDRUBUKW-GFCCVEGCSA-N 2 1 272.393 -0.258 20 0 CBADMP CC(C)OCC[NH+]1CCN(C(=O)NCC[NH3+])CC1 ZINC000418292913 353991127 /nfs/dbraw/zinc/99/11/27/353991127.db2.gz DZGZGFKWBXAXRF-UHFFFAOYSA-N 2 1 258.366 -0.303 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418313356 353992638 /nfs/dbraw/zinc/99/26/38/353992638.db2.gz QKICFJYRWGFMFV-UHFFFAOYSA-N 2 1 258.366 -0.301 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)NCC[NH2+]C)CC1 ZINC000418318274 353993052 /nfs/dbraw/zinc/99/30/52/353993052.db2.gz OVXKJTSJQXGYSJ-UHFFFAOYSA-N 2 1 258.366 -0.431 20 0 CBADMP C[NH2+]CCNC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000418316881 353993169 /nfs/dbraw/zinc/99/31/69/353993169.db2.gz KYNNSYVOPQWGED-UHFFFAOYSA-N 2 1 273.425 -0.269 20 0 CBADMP C[NH2+]CCNC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000418316881 353993170 /nfs/dbraw/zinc/99/31/70/353993170.db2.gz KYNNSYVOPQWGED-UHFFFAOYSA-N 2 1 273.425 -0.269 20 0 CBADMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)N[C@@H]1CC[NH2+]C1 ZINC000418374691 353994827 /nfs/dbraw/zinc/99/48/27/353994827.db2.gz GYCTUIHGMHYVQN-VXGBXAGGSA-N 2 1 270.377 -0.506 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000418362975 353995112 /nfs/dbraw/zinc/99/51/12/353995112.db2.gz BOEKQIJLNJJNCP-QWHCGFSZSA-N 2 1 286.420 -0.012 20 0 CBADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)N[C@@H]1CCC[NH2+]C1 ZINC000418375630 353995169 /nfs/dbraw/zinc/99/51/69/353995169.db2.gz FAKVZIGYDUETQM-OLZOCXBDSA-N 2 1 284.404 -0.116 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000418361133 353995204 /nfs/dbraw/zinc/99/52/04/353995204.db2.gz GSYFTMBIIBOQQC-OLZOCXBDSA-N 2 1 284.404 -0.116 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH+](CCOC)CC1 ZINC000418392435 353996181 /nfs/dbraw/zinc/99/61/81/353996181.db2.gz QCDWUAYRLSVFFV-GFCCVEGCSA-N 2 1 272.393 -0.185 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000413896546 353959879 /nfs/dbraw/zinc/95/98/79/353959879.db2.gz GJYARYBIKYRUSJ-LBPRGKRZSA-N 2 1 285.388 -0.109 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000413896546 353959882 /nfs/dbraw/zinc/95/98/82/353959882.db2.gz GJYARYBIKYRUSJ-LBPRGKRZSA-N 2 1 285.388 -0.109 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419232040 354040432 /nfs/dbraw/zinc/04/04/32/354040432.db2.gz UBWILIKHXLUIIA-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419281807 354043610 /nfs/dbraw/zinc/04/36/10/354043610.db2.gz HCHOFBLYAUPBKY-NSHDSACASA-N 2 1 272.393 -0.360 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000418477222 353999143 /nfs/dbraw/zinc/99/91/43/353999143.db2.gz UTCTZIKPGKHJBN-WOPDTQHZSA-N 2 1 272.393 -0.322 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418511492 354000521 /nfs/dbraw/zinc/00/05/21/354000521.db2.gz JPLXHOVIFXHSIU-ZCFIWIBFSA-N 2 1 272.246 -0.123 20 0 CBADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC(F)(F)C[NH3+] ZINC000418514893 354001484 /nfs/dbraw/zinc/00/14/84/354001484.db2.gz PGOMMJBMUFEPES-YUMQZZPRSA-N 2 1 250.293 -0.122 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000418675313 354005135 /nfs/dbraw/zinc/00/51/35/354005135.db2.gz RKBWKDWONXYYQH-WYUUTHIRSA-N 2 1 250.346 -0.306 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418679412 354005914 /nfs/dbraw/zinc/00/59/14/354005914.db2.gz WUVIOSLTKXKLLU-NNYUYHANSA-N 2 1 252.362 -0.060 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000418694610 354006425 /nfs/dbraw/zinc/00/64/25/354006425.db2.gz IGRKTPHKZZXXRR-MNOVXSKESA-N 2 1 258.366 -0.304 20 0 CBADMP CC[N@H+]1CCCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000418771370 354008920 /nfs/dbraw/zinc/00/89/20/354008920.db2.gz VPUBNUMHAXJVPZ-CYBMUJFWSA-N 2 1 283.420 -0.373 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000418944355 354016835 /nfs/dbraw/zinc/01/68/35/354016835.db2.gz NPDXTRMXZRWHPO-LBPRGKRZSA-N 2 1 292.383 -0.302 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000418971035 354017638 /nfs/dbraw/zinc/01/76/38/354017638.db2.gz XBASSLOJIJCXHA-LBPRGKRZSA-N 2 1 292.383 -0.302 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH2+]1 ZINC000418985081 354019595 /nfs/dbraw/zinc/01/95/95/354019595.db2.gz DYZHPQSZYMMQGL-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000418991347 354019869 /nfs/dbraw/zinc/01/98/69/354019869.db2.gz MOQIIYJRBRWHBN-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000418989540 354020453 /nfs/dbraw/zinc/02/04/53/354020453.db2.gz UFHFSIZYBKELTG-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000419018327 354023557 /nfs/dbraw/zinc/02/35/57/354023557.db2.gz BWAHTNZIJWFIKK-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP 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 354024507 /nfs/dbraw/zinc/02/45/07/354024507.db2.gz CVUSIUXPAPZSSG-YVECIDJPSA-N 2 1 298.431 -0.068 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419081216 354027575 /nfs/dbraw/zinc/02/75/75/354027575.db2.gz RHTSMVBRUXSKOQ-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419111653 354028362 /nfs/dbraw/zinc/02/83/62/354028362.db2.gz UGYDVRXLCSHCMT-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000419107831 354028906 /nfs/dbraw/zinc/02/89/06/354028906.db2.gz QAFBHLHKIMBRNC-SNVBAGLBSA-N 2 1 268.361 -0.935 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419283581 354043295 /nfs/dbraw/zinc/04/32/95/354043295.db2.gz JQFMDIGHVDMHKR-GFCCVEGCSA-N 2 1 284.404 -0.312 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419282287 354043665 /nfs/dbraw/zinc/04/36/65/354043665.db2.gz HTQXLPSDGZOVAN-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419159456 354034143 /nfs/dbraw/zinc/03/41/43/354034143.db2.gz ZCYLNNNTTZGPDL-ZYHUDNBSSA-N 2 1 282.388 -0.561 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419215565 354037546 /nfs/dbraw/zinc/03/75/46/354037546.db2.gz ABXBSPHIWLZSPX-CYBMUJFWSA-N 2 1 294.399 -0.377 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000419223346 354038329 /nfs/dbraw/zinc/03/83/29/354038329.db2.gz MHDKFGMSBLXRNU-CYBMUJFWSA-N 2 1 294.399 -0.296 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000419226793 354039023 /nfs/dbraw/zinc/03/90/23/354039023.db2.gz RIZHTRDMYOTZRX-CYBMUJFWSA-N 2 1 294.399 -0.296 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000419555104 354061891 /nfs/dbraw/zinc/06/18/91/354061891.db2.gz IYZWPIAGGBEZCK-SRVKXCTJSA-N 2 1 284.404 -0.443 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCC[N@H+]1C ZINC000419563767 354062162 /nfs/dbraw/zinc/06/21/62/354062162.db2.gz WWQMKZNZWLFUNB-YUSALJHKSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000419585682 354063590 /nfs/dbraw/zinc/06/35/90/354063590.db2.gz LXTSSSNJRSPYDJ-MNOVXSKESA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000419576852 354063952 /nfs/dbraw/zinc/06/39/52/354063952.db2.gz CNASCCTZLXHGIE-WOPDTQHZSA-N 2 1 296.415 -0.206 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419582161 354064007 /nfs/dbraw/zinc/06/40/07/354064007.db2.gz JERYZAVKMHNHEY-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000419585694 354064165 /nfs/dbraw/zinc/06/41/65/354064165.db2.gz MAGXQZCAZKGGNK-GHMZBOCLSA-N 2 1 284.404 -0.443 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000419581583 354064199 /nfs/dbraw/zinc/06/41/99/354064199.db2.gz INYWJVSCFRZQSZ-WDEREUQCSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000419580879 354064229 /nfs/dbraw/zinc/06/42/29/354064229.db2.gz HVFSLDMTQOUWKP-ZYHUDNBSSA-N 2 1 282.388 -0.465 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000419591373 354064564 /nfs/dbraw/zinc/06/45/64/354064564.db2.gz QXYINZOUJUSNQX-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[N@@H+](C)C1CC1 ZINC000419587105 354064705 /nfs/dbraw/zinc/06/47/05/354064705.db2.gz NGEKBAIBLVYKIH-SNVBAGLBSA-N 2 1 282.388 -0.417 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000419586406 354064817 /nfs/dbraw/zinc/06/48/17/354064817.db2.gz MWIUAUHUNYADOT-JQWIXIFHSA-N 2 1 284.404 -0.315 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000419590908 354065239 /nfs/dbraw/zinc/06/52/39/354065239.db2.gz QUKZTBRORVYRGE-ZJUUUORDSA-N 2 1 270.377 -0.704 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH2+]C ZINC000419587028 354065457 /nfs/dbraw/zinc/06/54/57/354065457.db2.gz NDWLIVAMVQUVPU-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]C ZINC000419590378 354065680 /nfs/dbraw/zinc/06/56/80/354065680.db2.gz QGCMSSSCNQFFAK-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419697185 354070126 /nfs/dbraw/zinc/07/01/26/354070126.db2.gz QHFMRNKJUWQMGF-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419698025 354070539 /nfs/dbraw/zinc/07/05/39/354070539.db2.gz RRLPHQXQEUBVCM-QWRGUYRKSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C[C@H]1[NH3+] ZINC000419697365 354070550 /nfs/dbraw/zinc/07/05/50/354070550.db2.gz QKHYDONNFNPGRS-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419729179 354073098 /nfs/dbraw/zinc/07/30/98/354073098.db2.gz HHZOFFNLNVIKOT-GFCCVEGCSA-N 2 1 282.388 -0.545 20 0 CBADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419740806 354074690 /nfs/dbraw/zinc/07/46/90/354074690.db2.gz YFHLRPSUDKADFD-WCQYABFASA-N 2 1 294.399 -0.402 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419756690 354074848 /nfs/dbraw/zinc/07/48/48/354074848.db2.gz BFZTYZXUSYDRHX-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419759139 354074923 /nfs/dbraw/zinc/07/49/23/354074923.db2.gz GETHAGIOSMZHOZ-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419765737 354075836 /nfs/dbraw/zinc/07/58/36/354075836.db2.gz QYRMZSILJNJHAZ-BETUJISGSA-N 2 1 296.415 -0.488 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000419769244 354076244 /nfs/dbraw/zinc/07/62/44/354076244.db2.gz DOUZEBLFFPBBMB-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH2+]CC1 ZINC000419805043 354079421 /nfs/dbraw/zinc/07/94/21/354079421.db2.gz BVDCQGMDQXBCQX-RYUDHWBXSA-N 2 1 280.372 -0.839 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[NH2+]C)C[C@H]1C ZINC000419882412 354088513 /nfs/dbraw/zinc/08/85/13/354088513.db2.gz XPTLZMCRZIQHMY-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[NH2+]C)C[C@H]1C ZINC000419882412 354088515 /nfs/dbraw/zinc/08/85/15/354088515.db2.gz XPTLZMCRZIQHMY-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419821766 354080465 /nfs/dbraw/zinc/08/04/65/354080465.db2.gz LACNOTOGEROKMO-UPJWGTAASA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419821762 354080487 /nfs/dbraw/zinc/08/04/87/354080487.db2.gz LACNOTOGEROKMO-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419821055 354080596 /nfs/dbraw/zinc/08/05/96/354080596.db2.gz KRSAFZTVZRQSIB-AGIUHOORSA-N 2 1 296.415 -0.156 20 0 CBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NCCC[NH3+] ZINC000419837831 354081981 /nfs/dbraw/zinc/08/19/81/354081981.db2.gz MXKXPJFYZQCEIZ-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419837557 354081992 /nfs/dbraw/zinc/08/19/92/354081992.db2.gz DDJPDJCNOXYLLW-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419837557 354081996 /nfs/dbraw/zinc/08/19/96/354081996.db2.gz DDJPDJCNOXYLLW-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NCCC[NH3+] ZINC000419837832 354082500 /nfs/dbraw/zinc/08/25/00/354082500.db2.gz MXKXPJFYZQCEIZ-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCCC[NH3+] ZINC000419833605 354082511 /nfs/dbraw/zinc/08/25/11/354082511.db2.gz QDOXFVMBTZFYJL-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCCC[NH3+] ZINC000419833605 354082513 /nfs/dbraw/zinc/08/25/13/354082513.db2.gz QDOXFVMBTZFYJL-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[NH2+]C ZINC000419842118 354083125 /nfs/dbraw/zinc/08/31/25/354083125.db2.gz HEPSAEJDBCYRGU-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000419846619 354084067 /nfs/dbraw/zinc/08/40/67/354084067.db2.gz RWGAUYKWJZZKBE-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000419846619 354084069 /nfs/dbraw/zinc/08/40/69/354084069.db2.gz RWGAUYKWJZZKBE-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH2+]C)C[C@H]1C ZINC000419849062 354084847 /nfs/dbraw/zinc/08/48/47/354084847.db2.gz WPVSMGWJUSWCCD-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH2+]C)C[C@H]1C ZINC000419849062 354084849 /nfs/dbraw/zinc/08/48/49/354084849.db2.gz WPVSMGWJUSWCCD-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419286437 354044322 /nfs/dbraw/zinc/04/43/22/354044322.db2.gz ONXZNOUHIQFHKY-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000419300825 354044715 /nfs/dbraw/zinc/04/47/15/354044715.db2.gz MRWSNJZLGZFUSY-UHFFFAOYSA-N 2 1 295.387 -0.059 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000419315450 354046097 /nfs/dbraw/zinc/04/60/97/354046097.db2.gz JWAOFWJGHLCLEH-QJPTWQEYSA-N 2 1 296.415 -0.301 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000419324547 354046718 /nfs/dbraw/zinc/04/67/18/354046718.db2.gz VQNMHJPSWHCBAS-WOPDTQHZSA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419341157 354046751 /nfs/dbraw/zinc/04/67/51/354046751.db2.gz YAJGTLHPRHORSR-CMPLNLGQSA-N 2 1 294.399 -0.417 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419333156 354046794 /nfs/dbraw/zinc/04/67/94/354046794.db2.gz LKWCSMAVMQFUDA-NTZNESFSSA-N 2 1 294.399 -0.547 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000419324544 354046885 /nfs/dbraw/zinc/04/68/85/354046885.db2.gz VQNMHJPSWHCBAS-GRYCIOLGSA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419338004 354046975 /nfs/dbraw/zinc/04/69/75/354046975.db2.gz RRFQAWYDHDNRNA-GMXVVIOVSA-N 2 1 294.399 -0.547 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000419341352 354047374 /nfs/dbraw/zinc/04/73/74/354047374.db2.gz YLVLSVPHWYSYLU-YPMHNXCESA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419337935 354047545 /nfs/dbraw/zinc/04/75/45/354047545.db2.gz RMJBHYPPFAPQHO-LOWVWBTDSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000419408817 354052485 /nfs/dbraw/zinc/05/24/85/354052485.db2.gz LZULQFCBEXZVIQ-KOLCDFICSA-N 2 1 298.412 -0.070 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000419412067 354052555 /nfs/dbraw/zinc/05/25/55/354052555.db2.gz QLCZTSSZKDZJTP-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000419411505 354052700 /nfs/dbraw/zinc/05/27/00/354052700.db2.gz PWQFNLNLEIKKGS-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419417647 354053876 /nfs/dbraw/zinc/05/38/76/354053876.db2.gz XKDQVIPLMSBREC-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419519081 354057087 /nfs/dbraw/zinc/05/70/87/354057087.db2.gz FNTKZMJRCKBJOG-QWRGUYRKSA-N 2 1 272.393 -0.314 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419509201 354057256 /nfs/dbraw/zinc/05/72/56/354057256.db2.gz DODHTFQDFQOLKK-QWRGUYRKSA-N 2 1 272.393 -0.456 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419509246 354057416 /nfs/dbraw/zinc/05/74/16/354057416.db2.gz DUZUEKHERFONKV-NWDGAFQWSA-N 2 1 286.420 -0.068 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419521215 354057764 /nfs/dbraw/zinc/05/77/64/354057764.db2.gz JMMXJRAZBGGOMC-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000419522649 354057778 /nfs/dbraw/zinc/05/77/78/354057778.db2.gz MYQUMERBLSMCBD-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419526360 354058244 /nfs/dbraw/zinc/05/82/44/354058244.db2.gz SWGQFRIPIMCXKZ-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000419529415 354058496 /nfs/dbraw/zinc/05/84/96/354058496.db2.gz XQHYSKJTLSOJSQ-LLVKDONJSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419527432 354058540 /nfs/dbraw/zinc/05/85/40/354058540.db2.gz VBDJLYINHRQTJC-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1CC1 ZINC000419525212 354058600 /nfs/dbraw/zinc/05/86/00/354058600.db2.gz RCZDFQIULFOAQB-GFCCVEGCSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419529437 354058727 /nfs/dbraw/zinc/05/87/27/354058727.db2.gz XTBIXCFVZGZPEH-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419527524 354058825 /nfs/dbraw/zinc/05/88/25/354058825.db2.gz VHYUEULOKORNNV-SNVBAGLBSA-N 2 1 272.393 -0.314 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419525649 354058831 /nfs/dbraw/zinc/05/88/31/354058831.db2.gz RXFLMGFSNBYGOS-PWSUYJOCSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCCC[NH2+]C)C1CC1 ZINC000419526489 354058838 /nfs/dbraw/zinc/05/88/38/354058838.db2.gz TWAGFUQSSFQEMY-UHFFFAOYSA-N 2 1 270.377 -0.687 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCC[N@H+]1C ZINC000419541709 354059754 /nfs/dbraw/zinc/05/97/54/354059754.db2.gz DGBOCSHDVORLBW-WOPDTQHZSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC[NH2+]1 ZINC000419544336 354060159 /nfs/dbraw/zinc/06/01/59/354060159.db2.gz HLCGVNRNEZOEBJ-SRVKXCTJSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCC[N@H+]1C ZINC000419543757 354060246 /nfs/dbraw/zinc/06/02/46/354060246.db2.gz GRLVFJTZQOAHMZ-XQQFMLRXSA-N 2 1 296.415 -0.156 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000419872320 354087687 /nfs/dbraw/zinc/08/76/87/354087687.db2.gz LHGPEYNVVMNAFD-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000419904614 354091606 /nfs/dbraw/zinc/09/16/06/354091606.db2.gz RWGAUYKWJZZKBE-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000419904614 354091609 /nfs/dbraw/zinc/09/16/09/354091609.db2.gz RWGAUYKWJZZKBE-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000419897895 354091777 /nfs/dbraw/zinc/09/17/77/354091777.db2.gz WMSORNCPVFMGKF-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419903783 354091825 /nfs/dbraw/zinc/09/18/25/354091825.db2.gz WXCUZGAQQNSYMT-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000419919328 354093237 /nfs/dbraw/zinc/09/32/37/354093237.db2.gz LADGBFHGXZEFBP-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCC)C1 ZINC000419911988 354093411 /nfs/dbraw/zinc/09/34/11/354093411.db2.gz VGKWFGDLAVFWFK-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C[NH3+])C[C@@H]1C ZINC000419944732 354095309 /nfs/dbraw/zinc/09/53/09/354095309.db2.gz BKBZGFVQOAIVGH-SRVKXCTJSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C[NH3+])C[C@@H]1C ZINC000419944732 354095312 /nfs/dbraw/zinc/09/53/12/354095312.db2.gz BKBZGFVQOAIVGH-SRVKXCTJSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419944845 354095364 /nfs/dbraw/zinc/09/53/64/354095364.db2.gz BQLHYZHHQPNEJX-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419944848 354095400 /nfs/dbraw/zinc/09/54/00/354095400.db2.gz BQLHYZHHQPNEJX-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000419949433 354095597 /nfs/dbraw/zinc/09/55/97/354095597.db2.gz LGFSHFDELOCKSA-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419964251 354098071 /nfs/dbraw/zinc/09/80/71/354098071.db2.gz XAUFGLMSLYCWCH-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000419970807 354098127 /nfs/dbraw/zinc/09/81/27/354098127.db2.gz CMICMZVWODRWCP-GFCCVEGCSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC[N@@H+]1C ZINC000419963335 354098295 /nfs/dbraw/zinc/09/82/95/354098295.db2.gz VXNDHNCGWDQUPX-NWDGAFQWSA-N 2 1 284.404 -0.504 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC[N@H+]1C ZINC000419963335 354098297 /nfs/dbraw/zinc/09/82/97/354098297.db2.gz VXNDHNCGWDQUPX-NWDGAFQWSA-N 2 1 284.404 -0.504 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000419973765 354098884 /nfs/dbraw/zinc/09/88/84/354098884.db2.gz IJEFZKQPHHBIAX-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000420012310 354102089 /nfs/dbraw/zinc/10/20/89/354102089.db2.gz IZGCQYOXRQRGGW-CYBMUJFWSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000420021008 354103136 /nfs/dbraw/zinc/10/31/36/354103136.db2.gz GRGPEWNTXIFGKK-WOPDTQHZSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000420026834 354104514 /nfs/dbraw/zinc/10/45/14/354104514.db2.gz JUEBIFWOHHQKDQ-SDDRHHMPSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[NH+](CC)CCCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420147114 354112834 /nfs/dbraw/zinc/11/28/34/354112834.db2.gz BXKFFKDLNXKFEZ-UHFFFAOYSA-N 2 1 294.346 -0.455 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000420160662 354115211 /nfs/dbraw/zinc/11/52/11/354115211.db2.gz UYESYWSCCAKBKV-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CCOC(=O)c1c[nH+]ccc1NC[C@@H]1C[NH2+]CCN1C ZINC000420263699 354120906 /nfs/dbraw/zinc/12/09/06/354120906.db2.gz CLLNRGIMUAEHLQ-NSHDSACASA-N 2 1 278.356 -0.004 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000420304616 354121848 /nfs/dbraw/zinc/12/18/48/354121848.db2.gz YIUVVRUQTBBZSY-NSHDSACASA-N 2 1 271.361 -0.179 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000420304616 354121850 /nfs/dbraw/zinc/12/18/50/354121850.db2.gz YIUVVRUQTBBZSY-NSHDSACASA-N 2 1 271.361 -0.179 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000420299334 354121869 /nfs/dbraw/zinc/12/18/69/354121869.db2.gz ASOCNCZNIPNTCL-MJBXVCDLSA-N 2 1 280.416 -0.180 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000420299334 354121871 /nfs/dbraw/zinc/12/18/71/354121871.db2.gz ASOCNCZNIPNTCL-MJBXVCDLSA-N 3 1 280.416 -0.180 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000420299334 354121872 /nfs/dbraw/zinc/12/18/72/354121872.db2.gz ASOCNCZNIPNTCL-MJBXVCDLSA-N 3 1 280.416 -0.180 20 0 CBADMP COC(=O)CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000420313172 354123242 /nfs/dbraw/zinc/12/32/42/354123242.db2.gz PGSYUYGDGYHTHL-LLVKDONJSA-N 2 1 271.361 -0.131 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+](C)C1(C[NH3+])CCC1 ZINC000420332028 354124223 /nfs/dbraw/zinc/12/42/23/354124223.db2.gz RDWMVYWKFSTZTC-UHFFFAOYSA-N 2 1 271.361 -0.179 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000420332028 354124227 /nfs/dbraw/zinc/12/42/27/354124227.db2.gz RDWMVYWKFSTZTC-UHFFFAOYSA-N 2 1 271.361 -0.179 20 0 CBADMP COC(=O)[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000420363643 354125000 /nfs/dbraw/zinc/12/50/00/354125000.db2.gz PPTSMGOULFORCT-LBPRGKRZSA-N 2 1 283.372 -0.307 20 0 CBADMP CNS(=O)(=O)CCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420354380 354125809 /nfs/dbraw/zinc/12/58/09/354125809.db2.gz BGHVMQIORFVNLQ-GARJFASQSA-N 2 1 263.407 -0.098 20 0 CBADMP C[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCN1S(C)(=O)=O ZINC000420369837 354126293 /nfs/dbraw/zinc/12/62/93/354126293.db2.gz JBTGKMUVADGEMK-NWDGAFQWSA-N 2 1 275.418 -0.048 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000423310644 354167894 /nfs/dbraw/zinc/16/78/94/354167894.db2.gz AODPOZBPEHLSRA-LBPRGKRZSA-N 2 1 283.372 -0.036 20 0 CBADMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000423336758 354169359 /nfs/dbraw/zinc/16/93/59/354169359.db2.gz VAWLHEDAGWGIEF-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000423343457 354169994 /nfs/dbraw/zinc/16/99/94/354169994.db2.gz ZVDQYWXCOYXLAU-JSGCOSHPSA-N 2 1 298.431 -0.114 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)C1 ZINC000423352482 354171118 /nfs/dbraw/zinc/17/11/18/354171118.db2.gz AYPYYSSLJYDKKS-QWHCGFSZSA-N 2 1 296.415 -0.395 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)C1 ZINC000423352482 354171120 /nfs/dbraw/zinc/17/11/20/354171120.db2.gz AYPYYSSLJYDKKS-QWHCGFSZSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423358489 354171454 /nfs/dbraw/zinc/17/14/54/354171454.db2.gz NNPBVEQDKAEOPS-NEPJUHHUSA-N 2 1 282.388 -0.655 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423358489 354171459 /nfs/dbraw/zinc/17/14/59/354171459.db2.gz NNPBVEQDKAEOPS-NEPJUHHUSA-N 2 1 282.388 -0.655 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([NH3+])CC2)C[C@H]1C ZINC000423372901 354172374 /nfs/dbraw/zinc/17/23/74/354172374.db2.gz HJQOINPENIJICJ-VXGBXAGGSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([NH3+])CC2)C[C@H]1C ZINC000423372901 354172378 /nfs/dbraw/zinc/17/23/78/354172378.db2.gz HJQOINPENIJICJ-VXGBXAGGSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@@H+]1C ZINC000423367349 354172818 /nfs/dbraw/zinc/17/28/18/354172818.db2.gz AFIPTHYJQKQGGT-QWHCGFSZSA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@H+]1C ZINC000423367349 354172819 /nfs/dbraw/zinc/17/28/19/354172819.db2.gz AFIPTHYJQKQGGT-QWHCGFSZSA-N 2 1 296.415 -0.408 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH3+])C[C@@H]1C ZINC000423365380 354172831 /nfs/dbraw/zinc/17/28/31/354172831.db2.gz BDNCPKKAPWSDCT-WDEREUQCSA-N 2 1 270.377 -0.655 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH3+])C[C@@H]1C ZINC000423365380 354172833 /nfs/dbraw/zinc/17/28/33/354172833.db2.gz BDNCPKKAPWSDCT-WDEREUQCSA-N 2 1 270.377 -0.655 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH3+])C[C@H]1C ZINC000423365377 354172862 /nfs/dbraw/zinc/17/28/62/354172862.db2.gz BDNCPKKAPWSDCT-MNOVXSKESA-N 2 1 270.377 -0.655 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH3+])C[C@H]1C ZINC000423365377 354172865 /nfs/dbraw/zinc/17/28/65/354172865.db2.gz BDNCPKKAPWSDCT-MNOVXSKESA-N 2 1 270.377 -0.655 20 0 CBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423380089 354173405 /nfs/dbraw/zinc/17/34/05/354173405.db2.gz DIVIJBXMXLNCGO-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)C[C@H]1C ZINC000423384317 354173765 /nfs/dbraw/zinc/17/37/65/354173765.db2.gz KUTQKOYLQMCRBR-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)C[C@H]1C ZINC000423384317 354173767 /nfs/dbraw/zinc/17/37/67/354173767.db2.gz KUTQKOYLQMCRBR-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)C1 ZINC000423379387 354173856 /nfs/dbraw/zinc/17/38/56/354173856.db2.gz LVCDSFIFOIYZLC-OLZOCXBDSA-N 2 1 296.415 -0.395 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)C1 ZINC000423379387 354173857 /nfs/dbraw/zinc/17/38/57/354173857.db2.gz LVCDSFIFOIYZLC-OLZOCXBDSA-N 2 1 296.415 -0.395 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@H]1C ZINC000423394354 354174808 /nfs/dbraw/zinc/17/48/08/354174808.db2.gz RIHSUPAKWQKSOY-GRYCIOLGSA-N 2 1 282.388 -0.513 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@H]1C ZINC000423394354 354174811 /nfs/dbraw/zinc/17/48/11/354174811.db2.gz RIHSUPAKWQKSOY-GRYCIOLGSA-N 2 1 282.388 -0.513 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000423394073 354174924 /nfs/dbraw/zinc/17/49/24/354174924.db2.gz ZLAGWKBZVWXQBH-VXGBXAGGSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@H]1C ZINC000423394360 354174940 /nfs/dbraw/zinc/17/49/40/354174940.db2.gz RIHSUPAKWQKSOY-UTUOFQBUSA-N 2 1 282.388 -0.513 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@H]1C ZINC000423394360 354174943 /nfs/dbraw/zinc/17/49/43/354174943.db2.gz RIHSUPAKWQKSOY-UTUOFQBUSA-N 2 1 282.388 -0.513 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000422044309 354142605 /nfs/dbraw/zinc/14/26/05/354142605.db2.gz XLPBOUBCFYIDJG-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000422044309 354142607 /nfs/dbraw/zinc/14/26/07/354142607.db2.gz XLPBOUBCFYIDJG-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000422044309 354142611 /nfs/dbraw/zinc/14/26/11/354142611.db2.gz XLPBOUBCFYIDJG-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)C1 ZINC000422541510 354149666 /nfs/dbraw/zinc/14/96/66/354149666.db2.gz LXVVTAFUUQSORZ-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000422716416 354151394 /nfs/dbraw/zinc/15/13/94/354151394.db2.gz UPSZAPHCQRENNY-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000422716416 354151397 /nfs/dbraw/zinc/15/13/97/354151397.db2.gz UPSZAPHCQRENNY-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000422856694 354156465 /nfs/dbraw/zinc/15/64/65/354156465.db2.gz FVQKPGOVHCOWNA-NEPJUHHUSA-N 2 1 255.362 -0.051 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000422856694 354156466 /nfs/dbraw/zinc/15/64/66/354156466.db2.gz FVQKPGOVHCOWNA-NEPJUHHUSA-N 2 1 255.362 -0.051 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000422970868 354158298 /nfs/dbraw/zinc/15/82/98/354158298.db2.gz HHOFYQXMHVPYMW-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000422967153 354158741 /nfs/dbraw/zinc/15/87/41/354158741.db2.gz BHYADEDZLQIFOE-VIFPVBQESA-N 2 1 292.330 -0.751 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000422967153 354158747 /nfs/dbraw/zinc/15/87/47/354158747.db2.gz BHYADEDZLQIFOE-VIFPVBQESA-N 2 1 292.330 -0.751 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000423018418 354160262 /nfs/dbraw/zinc/16/02/62/354160262.db2.gz YWSWPDZUGHVUNO-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CCS(=O)(=O)N1CC(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423055003 354161183 /nfs/dbraw/zinc/16/11/83/354161183.db2.gz CNTYMQZBJHXNEP-ZYHUDNBSSA-N 2 1 275.418 -0.145 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000423122531 354162420 /nfs/dbraw/zinc/16/24/20/354162420.db2.gz CQIREWLAWAGEFR-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C1 ZINC000423523859 354179058 /nfs/dbraw/zinc/17/90/58/354179058.db2.gz NUOPJLLUKYQBFO-NSHDSACASA-N 2 1 282.388 -0.641 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])C[C@H](C)[N@H+]1C ZINC000423586492 354181595 /nfs/dbraw/zinc/18/15/95/354181595.db2.gz BLYALQQYQNKHNG-XQQFMLRXSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])C[C@H](C)[N@@H+]1C ZINC000423586492 354181601 /nfs/dbraw/zinc/18/16/01/354181601.db2.gz BLYALQQYQNKHNG-XQQFMLRXSA-N 2 1 296.415 -0.123 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000423586717 354181957 /nfs/dbraw/zinc/18/19/57/354181957.db2.gz DXMRRHRFWHQIBI-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423605242 354184115 /nfs/dbraw/zinc/18/41/15/354184115.db2.gz HJMXGPWRZHVSNS-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423615656 354185036 /nfs/dbraw/zinc/18/50/36/354185036.db2.gz ZBJBNPXZJQICMN-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1COCC[NH2+]1 ZINC000424188458 354217160 /nfs/dbraw/zinc/21/71/60/354217160.db2.gz LJDIEOFUKCITIH-CYBMUJFWSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000423635114 354187869 /nfs/dbraw/zinc/18/78/69/354187869.db2.gz RHEUWFFEFVVBOR-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000423645386 354188586 /nfs/dbraw/zinc/18/85/86/354188586.db2.gz RECLNJMUPIJOOS-SWLSCSKDSA-N 2 1 294.399 -0.639 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423690647 354191899 /nfs/dbraw/zinc/19/18/99/354191899.db2.gz YRURMDNJQGRIRB-CYBMUJFWSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C[C@H]1[NH3+] ZINC000423732677 354195165 /nfs/dbraw/zinc/19/51/65/354195165.db2.gz ZNTFJCQTIRHADK-IJLUTSLNSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)CCOC2C[NH2+]C2)C[C@H](C)O1 ZINC000423757041 354198576 /nfs/dbraw/zinc/19/85/76/354198576.db2.gz CHPWRGNVVZFFEV-BETUJISGSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)CCOC2C[NH2+]C2)C[C@H](C)O1 ZINC000423757041 354198581 /nfs/dbraw/zinc/19/85/81/354198581.db2.gz CHPWRGNVVZFFEV-BETUJISGSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423781386 354199175 /nfs/dbraw/zinc/19/91/75/354199175.db2.gz XPBOASFJDXVREZ-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000423786054 354199295 /nfs/dbraw/zinc/19/92/95/354199295.db2.gz PJTHMNLXBMWICI-WDEREUQCSA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000423782187 354199730 /nfs/dbraw/zinc/19/97/30/354199730.db2.gz INLYXEVMQIBHBJ-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000423783745 354199879 /nfs/dbraw/zinc/19/98/79/354199879.db2.gz KQUVFHXXDAKHKW-NSHDSACASA-N 2 1 283.372 -0.308 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423839884 354202072 /nfs/dbraw/zinc/20/20/72/354202072.db2.gz DEJSSVWREVSJGK-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP CC(C)[C@@H](C[NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000433146492 354253261 /nfs/dbraw/zinc/25/32/61/354253261.db2.gz VMZHLGMSAKKHHJ-CHWSQXEVSA-N 2 1 296.415 -0.360 20 0 CBADMP C[NH2+]CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000435873685 354255367 /nfs/dbraw/zinc/25/53/67/354255367.db2.gz FKVRAFZNCYCBJB-ZDUSSCGKSA-N 3 1 268.405 -0.260 20 0 CBADMP COCCOCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436054822 354255820 /nfs/dbraw/zinc/25/58/20/354255820.db2.gz AGBWBEGDLFTJJF-ZDUSSCGKSA-N 2 1 287.404 -0.031 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443079634 354259893 /nfs/dbraw/zinc/25/98/93/354259893.db2.gz ZUTZCJJTJJECAK-NSHDSACASA-N 2 1 263.407 -0.014 20 0 CBADMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444165303 354262107 /nfs/dbraw/zinc/26/21/07/354262107.db2.gz GLBFCCDAHJOEJL-CYBMUJFWSA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2CC[NH2+]2)C[C@H](C)O1 ZINC000444169590 354262391 /nfs/dbraw/zinc/26/23/91/354262391.db2.gz QDYKRBULHSMKIY-GRYCIOLGSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)CC1CC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000424281500 354222021 /nfs/dbraw/zinc/22/20/21/354222021.db2.gz NMYUXYXKMHKNLM-XIVSLSHWSA-N 2 1 256.346 -0.016 20 0 CBADMP COC(=O)CC1CC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000424281500 354222023 /nfs/dbraw/zinc/22/20/23/354222023.db2.gz NMYUXYXKMHKNLM-XIVSLSHWSA-N 2 1 256.346 -0.016 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000446360384 354286835 /nfs/dbraw/zinc/28/68/35/354286835.db2.gz ROICQMRQQYKBCG-WCQGTBRESA-N 2 1 253.346 -0.426 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)CN1CC[NH+](C)CC1 ZINC000446378305 354287382 /nfs/dbraw/zinc/28/73/82/354287382.db2.gz TWTIWPBBKFZLIY-FRRDWIJNSA-N 2 1 286.395 -0.314 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000446414084 354287647 /nfs/dbraw/zinc/28/76/47/354287647.db2.gz UEFFHZFNIZRPHF-NWDGAFQWSA-N 2 1 273.352 -0.133 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000444389601 354272181 /nfs/dbraw/zinc/27/21/81/354272181.db2.gz PVEWMFGVZWCYNP-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000454550585 354356358 /nfs/dbraw/zinc/35/63/58/354356358.db2.gz RFUGINRSXDLLQN-RYUDHWBXSA-N 2 1 272.393 -0.044 20 0 CBADMP O=C(NCCC[NH+]1CCCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000448595395 354315945 /nfs/dbraw/zinc/31/59/45/354315945.db2.gz HLGFWTFLDPAKIM-AWEZNQCLSA-N 2 1 280.416 -0.022 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000449349083 354319805 /nfs/dbraw/zinc/31/98/05/354319805.db2.gz ONVQJWWUMYFPCP-FDYHWXHSSA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000449349083 354319807 /nfs/dbraw/zinc/31/98/07/354319807.db2.gz ONVQJWWUMYFPCP-FDYHWXHSSA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@@H](O)CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000450350286 354324520 /nfs/dbraw/zinc/32/45/20/354324520.db2.gz QTQQVQGALJQBPE-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@](O)(C(F)F)C2)CC1 ZINC000451424909 354336677 /nfs/dbraw/zinc/33/66/77/354336677.db2.gz GQVHQWIYFGDPPR-CYBMUJFWSA-N 2 1 291.342 -0.148 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@](O)(C(F)F)C2)CC1 ZINC000451424909 354336683 /nfs/dbraw/zinc/33/66/83/354336683.db2.gz GQVHQWIYFGDPPR-CYBMUJFWSA-N 2 1 291.342 -0.148 20 0 CBADMP C[C@H]1[C@H](O)CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000451467543 354337521 /nfs/dbraw/zinc/33/75/21/354337521.db2.gz ZRNLNNZOYFXTKY-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1[C@H](O)CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000451467543 354337524 /nfs/dbraw/zinc/33/75/24/354337524.db2.gz ZRNLNNZOYFXTKY-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000452382876 354349841 /nfs/dbraw/zinc/34/98/41/354349841.db2.gz NKZRQSSHPFAAJG-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000452382876 354349842 /nfs/dbraw/zinc/34/98/42/354349842.db2.gz NKZRQSSHPFAAJG-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000452382876 354349843 /nfs/dbraw/zinc/34/98/43/354349843.db2.gz NKZRQSSHPFAAJG-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000452382876 354349845 /nfs/dbraw/zinc/34/98/45/354349845.db2.gz NKZRQSSHPFAAJG-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H]1CN(CCO)CCN1C(=O)NCC[N@@H+](C)C1CC1 ZINC000458395003 354377203 /nfs/dbraw/zinc/37/72/03/354377203.db2.gz VOGBEXPXTUMPNO-LBPRGKRZSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC[NH+](C)C1CC1 ZINC000458395003 354377204 /nfs/dbraw/zinc/37/72/04/354377204.db2.gz VOGBEXPXTUMPNO-LBPRGKRZSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC[NH+](C)C1CC1 ZINC000458395003 354377206 /nfs/dbraw/zinc/37/72/06/354377206.db2.gz VOGBEXPXTUMPNO-LBPRGKRZSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)NCC[N@@H+](C)C1CC1 ZINC000458395003 354377209 /nfs/dbraw/zinc/37/72/09/354377209.db2.gz VOGBEXPXTUMPNO-LBPRGKRZSA-N 2 1 284.404 -0.211 20 0 CBADMP COCC[NH+]1CCN(C(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000459041173 354381691 /nfs/dbraw/zinc/38/16/91/354381691.db2.gz NHGARSLQGOVALQ-LBPRGKRZSA-N 2 1 272.393 -0.090 20 0 CBADMP C[NH+](C)CCOCCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000471636864 354401590 /nfs/dbraw/zinc/40/15/90/354401590.db2.gz OTZPMDXKVDYJOP-UHFFFAOYSA-N 2 1 272.393 -0.042 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000487335258 354413803 /nfs/dbraw/zinc/41/38/03/354413803.db2.gz HANCIUPGOYEPOX-YNEHKIRRSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000487335258 354413804 /nfs/dbraw/zinc/41/38/04/354413804.db2.gz HANCIUPGOYEPOX-YNEHKIRRSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1[C@H](CO)CC[NH+]1CC(O)C[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000488743437 354426781 /nfs/dbraw/zinc/42/67/81/354426781.db2.gz IGNLASADOKKTGM-MQYQWHSLSA-N 2 1 286.416 -0.247 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)/C=C\C[NH+](C)C ZINC000491909158 354462466 /nfs/dbraw/zinc/46/24/66/354462466.db2.gz WNPHCLYUJRHCTH-CFHLNLSMSA-N 2 1 268.405 -0.144 20 0 CBADMP C[C@H]1CN(C(=O)/C=C\C[NH+](C)C)CC[N@@H+]1CCO ZINC000492750017 354479996 /nfs/dbraw/zinc/47/99/96/354479996.db2.gz IEABRDOPNYGZEI-RXNFCKPNSA-N 2 1 255.362 -0.371 20 0 CBADMP C[C@H]1CN(C(=O)/C=C\C[NH+](C)C)CC[N@H+]1CCO ZINC000492750017 354479999 /nfs/dbraw/zinc/47/99/99/354479999.db2.gz IEABRDOPNYGZEI-RXNFCKPNSA-N 2 1 255.362 -0.371 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CCCN1CCOC1=O)C1CC1 ZINC000496345081 354542672 /nfs/dbraw/zinc/54/26/72/354542672.db2.gz PFNGELYGMAJQCU-LBPRGKRZSA-N 2 1 271.361 -0.127 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCN1CCOC1=O)C1CC1 ZINC000496345081 354542676 /nfs/dbraw/zinc/54/26/76/354542676.db2.gz PFNGELYGMAJQCU-LBPRGKRZSA-N 2 1 271.361 -0.127 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000515402580 354555801 /nfs/dbraw/zinc/55/58/01/354555801.db2.gz FHIXNQINZWIJQH-OHBODLIOSA-N 2 1 250.346 -0.260 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000519531882 354561935 /nfs/dbraw/zinc/56/19/35/354561935.db2.gz JYBAZBKCWZMVNT-AAEUAGOBSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000519633982 354565678 /nfs/dbraw/zinc/56/56/78/354565678.db2.gz BKVIHTFOWUTMCL-SNVBAGLBSA-N 2 1 268.361 -0.854 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529308979 354583989 /nfs/dbraw/zinc/58/39/89/354583989.db2.gz XIIWPVRNHUKBCT-OLZOCXBDSA-N 2 1 295.431 -0.184 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529320569 354584966 /nfs/dbraw/zinc/58/49/66/354584966.db2.gz YNEUFSYVELSWBW-NQBHXWOUSA-N 2 1 282.388 -0.243 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)[NH+]1CCCC1 ZINC000534268718 354596387 /nfs/dbraw/zinc/59/63/87/354596387.db2.gz UJRIBIUTYPJBIJ-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000535431339 354601484 /nfs/dbraw/zinc/60/14/84/354601484.db2.gz CPVZWFQVCDEWRN-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000535431339 354601486 /nfs/dbraw/zinc/60/14/86/354601486.db2.gz CPVZWFQVCDEWRN-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+](C)C1CC1 ZINC000546590835 354653456 /nfs/dbraw/zinc/65/34/56/354653456.db2.gz NUORUXPOCVSKGU-SMDDNHRTSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H](CNC(=O)NC[C@]1(O)CC[NH+](C)C1)[N@H+](C)C1CC1 ZINC000546590835 354653458 /nfs/dbraw/zinc/65/34/58/354653458.db2.gz NUORUXPOCVSKGU-SMDDNHRTSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H](CNC(=O)NC[C@]1(O)CC[NH+](C)C1)[N@@H+](C)C1CC1 ZINC000546590835 354653462 /nfs/dbraw/zinc/65/34/62/354653462.db2.gz NUORUXPOCVSKGU-SMDDNHRTSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000562812675 354687983 /nfs/dbraw/zinc/68/79/83/354687983.db2.gz NECOKDWYHWMLKE-ZDUSSCGKSA-N 2 1 283.420 -0.373 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000562800017 354688342 /nfs/dbraw/zinc/68/83/42/354688342.db2.gz DNYYIHODRZSHEE-WUHRBBMRSA-N 2 1 282.388 -0.386 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)COC2C[NH2+]C2)C1 ZINC000563063285 354693874 /nfs/dbraw/zinc/69/38/74/354693874.db2.gz WCFFRHFRRJORQC-NSHDSACASA-N 2 1 255.362 -0.179 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3COCC[NH2+]3)[C@@H]2C1 ZINC000563085683 354695114 /nfs/dbraw/zinc/69/51/14/354695114.db2.gz WQEKWNCQMATYOS-FRRDWIJNSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563153899 354699454 /nfs/dbraw/zinc/69/94/54/354699454.db2.gz GGZOVGMYESTJOR-WDEREUQCSA-N 2 1 255.362 -0.062 20 0 CBADMP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH2+]CC1 ZINC000563150064 354700191 /nfs/dbraw/zinc/70/01/91/354700191.db2.gz XUJKQVBOCLJHOU-OLZOCXBDSA-N 3 1 266.389 -0.650 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH2+]CC1 ZINC000563150064 354700193 /nfs/dbraw/zinc/70/01/93/354700193.db2.gz XUJKQVBOCLJHOU-OLZOCXBDSA-N 3 1 266.389 -0.650 20 0 CBADMP CN(C)C(=O)NCC[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000563154086 354700222 /nfs/dbraw/zinc/70/02/22/354700222.db2.gz JMXZTJDTJBCVGF-UHFFFAOYSA-N 2 1 285.392 -0.989 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000563899630 354708268 /nfs/dbraw/zinc/70/82/68/354708268.db2.gz FAGXPKQZIOXZJA-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@]1(F)CNCC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000564453416 354713040 /nfs/dbraw/zinc/71/30/40/354713040.db2.gz NFOTXZIWXKNCOP-OCCSQVGLSA-N 2 1 286.395 -0.183 20 0 CBADMP C[C@]1(F)CNCC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000564453416 354713044 /nfs/dbraw/zinc/71/30/44/354713044.db2.gz NFOTXZIWXKNCOP-OCCSQVGLSA-N 2 1 286.395 -0.183 20 0 CBADMP C[C@@H]([NH3+])C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000564656623 354714646 /nfs/dbraw/zinc/71/46/46/354714646.db2.gz VHLDVRQFDXDBPH-VOMCLLRMSA-N 2 1 254.378 -0.334 20 0 CBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000564989248 354724271 /nfs/dbraw/zinc/72/42/71/354724271.db2.gz VRTAPYMCGAZWML-LLVKDONJSA-N 2 1 298.387 -0.481 20 0 CBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000564989248 354724272 /nfs/dbraw/zinc/72/42/72/354724272.db2.gz VRTAPYMCGAZWML-LLVKDONJSA-N 2 1 298.387 -0.481 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000564989358 354724948 /nfs/dbraw/zinc/72/49/48/354724948.db2.gz MUISKBCAAAGCNT-RYUDHWBXSA-N 3 1 254.378 -0.523 20 0 CBADMP C[C@H]1C[N@H+](CCC(=O)N2CCNCC2)CC[C@@H]1[NH3+] ZINC000564989358 354724950 /nfs/dbraw/zinc/72/49/50/354724950.db2.gz MUISKBCAAAGCNT-RYUDHWBXSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CCNCC2)CC[C@@H]1[NH3+] ZINC000564989358 354724951 /nfs/dbraw/zinc/72/49/51/354724951.db2.gz MUISKBCAAAGCNT-RYUDHWBXSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000565040797 354726353 /nfs/dbraw/zinc/72/63/53/354726353.db2.gz XVWFWDALVORDQE-STQMWFEESA-N 2 1 296.415 -0.297 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000565240439 354734344 /nfs/dbraw/zinc/73/43/44/354734344.db2.gz WSNCHCDRXWKFML-SDDRHHMPSA-N 3 1 252.362 -0.770 20 0 CBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000566000197 354749618 /nfs/dbraw/zinc/74/96/18/354749618.db2.gz KEQGOVDXGWBBDA-LLVKDONJSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000566017420 354750518 /nfs/dbraw/zinc/75/05/18/354750518.db2.gz VJXLIFQUXFBIFZ-VXGBXAGGSA-N 3 1 254.378 -0.380 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)N1CCNCC1 ZINC000566017420 354750522 /nfs/dbraw/zinc/75/05/22/354750522.db2.gz VJXLIFQUXFBIFZ-VXGBXAGGSA-N 2 1 254.378 -0.380 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)N1CCNCC1 ZINC000566017420 354750524 /nfs/dbraw/zinc/75/05/24/354750524.db2.gz VJXLIFQUXFBIFZ-VXGBXAGGSA-N 2 1 254.378 -0.380 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000566017419 354750628 /nfs/dbraw/zinc/75/06/28/354750628.db2.gz VJXLIFQUXFBIFZ-RYUDHWBXSA-N 3 1 254.378 -0.380 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)N1CCNCC1 ZINC000566017419 354750631 /nfs/dbraw/zinc/75/06/31/354750631.db2.gz VJXLIFQUXFBIFZ-RYUDHWBXSA-N 2 1 254.378 -0.380 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)N1CCNCC1 ZINC000566017419 354750633 /nfs/dbraw/zinc/75/06/33/354750633.db2.gz VJXLIFQUXFBIFZ-RYUDHWBXSA-N 2 1 254.378 -0.380 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000566235044 354758029 /nfs/dbraw/zinc/75/80/29/354758029.db2.gz PPHOPXFSYGTGCQ-VXGBXAGGSA-N 2 1 272.320 -0.265 20 0 CBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCN1 ZINC000566230349 354758046 /nfs/dbraw/zinc/75/80/46/354758046.db2.gz HKUHWRCKJCNLGX-NEPJUHHUSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCN1 ZINC000566230349 354758048 /nfs/dbraw/zinc/75/80/48/354758048.db2.gz HKUHWRCKJCNLGX-NEPJUHHUSA-N 2 1 254.378 -0.523 20 0 CBADMP [NH3+]C[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000566244669 354759330 /nfs/dbraw/zinc/75/93/30/354759330.db2.gz OSWTYHNXNXURKD-GFCCVEGCSA-N 3 1 254.378 -0.521 20 0 CBADMP [NH3+]C[C@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000566244669 354759332 /nfs/dbraw/zinc/75/93/32/354759332.db2.gz OSWTYHNXNXURKD-GFCCVEGCSA-N 2 1 254.378 -0.521 20 0 CBADMP [NH3+]C[C@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000566244669 354759335 /nfs/dbraw/zinc/75/93/35/354759335.db2.gz OSWTYHNXNXURKD-GFCCVEGCSA-N 2 1 254.378 -0.521 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1CCC([NH2+]CCOC)CC1 ZINC000566352011 354764269 /nfs/dbraw/zinc/76/42/69/354764269.db2.gz QYQDPERAFYPNFK-UHFFFAOYSA-N 2 1 286.376 -0.468 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000566511031 354769776 /nfs/dbraw/zinc/76/97/76/354769776.db2.gz GZFXFWUWQVHGEE-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000566511614 354769952 /nfs/dbraw/zinc/76/99/52/354769952.db2.gz WTONFCMSXDFDTO-JBLDHEPKSA-N 2 1 280.372 -0.937 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000566621561 354771815 /nfs/dbraw/zinc/77/18/15/354771815.db2.gz GSQGPLGSJTZPNL-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H](C)O ZINC000566792098 354774714 /nfs/dbraw/zinc/77/47/14/354774714.db2.gz KLVAUBSGPYSZHI-GRYCIOLGSA-N 2 1 257.378 -0.067 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000566855838 354776452 /nfs/dbraw/zinc/77/64/52/354776452.db2.gz DUBMHWQTOVPZII-ZJUUUORDSA-N 2 1 257.334 -0.665 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000566855838 354776453 /nfs/dbraw/zinc/77/64/53/354776453.db2.gz DUBMHWQTOVPZII-ZJUUUORDSA-N 2 1 257.334 -0.665 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)CC[NH+]1CCN(CC)CC1 ZINC000566916891 354777018 /nfs/dbraw/zinc/77/70/18/354777018.db2.gz CYNQAZWPSZVPSA-LBPRGKRZSA-N 2 1 256.394 -0.133 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000567111505 354781130 /nfs/dbraw/zinc/78/11/30/354781130.db2.gz CAKBVNUJMLUZHS-WOPDTQHZSA-N 2 1 283.372 -0.181 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000567262423 354783995 /nfs/dbraw/zinc/78/39/95/354783995.db2.gz OAOXPKWFCHJEGB-LSDHHAIUSA-N 2 1 286.464 -0.085 20 0 CBADMP C[C@H](CNC(=O)N(C)CCC[NH3+])C[NH+]1CCOCC1 ZINC000567409227 354787354 /nfs/dbraw/zinc/78/73/54/354787354.db2.gz VQCYIVXLXGHODM-GFCCVEGCSA-N 2 1 272.393 -0.055 20 0 CBADMP CCC[NH2+]CCNC(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC000565302614 354735313 /nfs/dbraw/zinc/73/53/13/354735313.db2.gz MIFQEHXKSOEYMT-LLVKDONJSA-N 2 1 253.350 -0.204 20 0 CBADMP CCN(C)C[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000565429714 354737631 /nfs/dbraw/zinc/73/76/31/354737631.db2.gz HKTFLJFSKHWXJC-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP CCN(C)C[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000565429714 354737635 /nfs/dbraw/zinc/73/76/35/354737635.db2.gz HKTFLJFSKHWXJC-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000565429714 354737636 /nfs/dbraw/zinc/73/76/36/354737636.db2.gz HKTFLJFSKHWXJC-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000565429714 354737640 /nfs/dbraw/zinc/73/76/40/354737640.db2.gz HKTFLJFSKHWXJC-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000565429714 354737642 /nfs/dbraw/zinc/73/76/42/354737642.db2.gz HKTFLJFSKHWXJC-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000565429714 354737647 /nfs/dbraw/zinc/73/76/47/354737647.db2.gz HKTFLJFSKHWXJC-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000565412434 354738238 /nfs/dbraw/zinc/73/82/38/354738238.db2.gz KTWAKDLBBBFEEI-ZIAGYGMSSA-N 2 1 295.431 -0.230 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000565477722 354738878 /nfs/dbraw/zinc/73/88/78/354738878.db2.gz POZPJGUHSAAFSB-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000567838138 354799798 /nfs/dbraw/zinc/79/97/98/354799798.db2.gz PCQLDZKWIUJSOE-VXGBXAGGSA-N 2 1 264.329 -0.472 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000567871637 354801886 /nfs/dbraw/zinc/80/18/86/354801886.db2.gz ZXMJRNRWZKGQDC-ZFWWWQNUSA-N 3 1 280.416 -0.131 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000567880064 354802671 /nfs/dbraw/zinc/80/26/71/354802671.db2.gz AYQXOECRBOQTDD-FIQHERPVSA-N 2 1 284.404 -0.173 20 0 CBADMP C[N@@H+](C[C@@H](O)CN[C@@H](CO)C[NH+]1CCCC1)C1CC1 ZINC000567874437 354802694 /nfs/dbraw/zinc/80/26/94/354802694.db2.gz NQLGCIYXCDVRNL-OCCSQVGLSA-N 2 1 271.405 -0.512 20 0 CBADMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000567875425 354802747 /nfs/dbraw/zinc/80/27/47/354802747.db2.gz DQHRSUNOJGSADZ-GJZGRUSLSA-N 2 1 296.415 -0.074 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000567882276 354803111 /nfs/dbraw/zinc/80/31/11/354803111.db2.gz OWKZNICBKKPHKS-UHFFFAOYSA-N 2 1 262.313 -0.802 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000568777409 354833187 /nfs/dbraw/zinc/83/31/87/354833187.db2.gz OSJKBRHWKKKPBU-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000568777409 354833190 /nfs/dbraw/zinc/83/31/90/354833190.db2.gz OSJKBRHWKKKPBU-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000568777409 354833193 /nfs/dbraw/zinc/83/31/93/354833193.db2.gz OSJKBRHWKKKPBU-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000568777409 354833196 /nfs/dbraw/zinc/83/31/96/354833196.db2.gz OSJKBRHWKKKPBU-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)[C@@H]2C1 ZINC000567909846 354805024 /nfs/dbraw/zinc/80/50/24/354805024.db2.gz WUEUIRNSNHQPCT-IRCOFANPSA-N 2 1 271.336 -0.382 20 0 CBADMP C[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)[C@H]2C1 ZINC000567909849 354805226 /nfs/dbraw/zinc/80/52/26/354805226.db2.gz WUEUIRNSNHQPCT-WHOHXGKFSA-N 2 1 271.336 -0.382 20 0 CBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)[C@@H]2C1 ZINC000567909847 354805494 /nfs/dbraw/zinc/80/54/94/354805494.db2.gz WUEUIRNSNHQPCT-QCNOEVLYSA-N 2 1 271.336 -0.382 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](COC)(C(=O)OC)C1 ZINC000568177421 354813290 /nfs/dbraw/zinc/81/32/90/354813290.db2.gz VESRPSJENMGHPX-JSGCOSHPSA-N 2 1 288.388 -0.190 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](COC)(C(=O)OC)C1 ZINC000568177421 354813292 /nfs/dbraw/zinc/81/32/92/354813292.db2.gz VESRPSJENMGHPX-JSGCOSHPSA-N 2 1 288.388 -0.190 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](COC)(C(=O)OC)C1 ZINC000568177421 354813294 /nfs/dbraw/zinc/81/32/94/354813294.db2.gz VESRPSJENMGHPX-JSGCOSHPSA-N 2 1 288.388 -0.190 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](COC)(C(=O)OC)C1 ZINC000568177421 354813297 /nfs/dbraw/zinc/81/32/97/354813297.db2.gz VESRPSJENMGHPX-JSGCOSHPSA-N 2 1 288.388 -0.190 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(=O)n(C)c1=O ZINC000568268958 354819462 /nfs/dbraw/zinc/81/94/62/354819462.db2.gz QLAHIBPZBVEIBE-HNNXBMFYSA-N 2 1 292.383 -0.341 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000568292730 354820084 /nfs/dbraw/zinc/82/00/84/354820084.db2.gz ULUICGXZCKTQMZ-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000568527153 354826286 /nfs/dbraw/zinc/82/62/86/354826286.db2.gz QKCZNADIXDXYKV-QWRGUYRKSA-N 2 1 271.361 -0.181 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000568750016 354830683 /nfs/dbraw/zinc/83/06/83/354830683.db2.gz RNHXUNLXXQPTME-HZSPNIEDSA-N 3 1 280.416 -0.275 20 0 CBADMP C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000567711014 354794783 /nfs/dbraw/zinc/79/47/83/354794783.db2.gz XNYPIWFSLKGQPA-DZGCQCFKSA-N 2 1 283.416 -0.081 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC[C@H]3CCCO3)CCN2C1=O ZINC000568782807 354832831 /nfs/dbraw/zinc/83/28/31/354832831.db2.gz FFUMFAWWNLWTIM-IJLUTSLNSA-N 2 1 253.346 -0.201 20 0 CBADMP Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000567753750 354796466 /nfs/dbraw/zinc/79/64/66/354796466.db2.gz FPKWTZLCLJELRG-MNOVXSKESA-N 2 1 276.340 -0.161 20 0 CBADMP Cc1ccc(O)c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000567753750 354796468 /nfs/dbraw/zinc/79/64/68/354796468.db2.gz FPKWTZLCLJELRG-MNOVXSKESA-N 2 1 276.340 -0.161 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000567765524 354796511 /nfs/dbraw/zinc/79/65/11/354796511.db2.gz ZEYPWXIBHJJEDF-AVGNSLFASA-N 2 1 296.415 -0.312 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000570851151 354871458 /nfs/dbraw/zinc/87/14/58/354871458.db2.gz CULRZCLNUMRNOT-AWEZNQCLSA-N 2 1 279.388 -0.041 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000570851151 354871461 /nfs/dbraw/zinc/87/14/61/354871461.db2.gz CULRZCLNUMRNOT-AWEZNQCLSA-N 2 1 279.388 -0.041 20 0 CBADMP CC[N@@H+](CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000571059729 354875764 /nfs/dbraw/zinc/87/57/64/354875764.db2.gz SQSRHSAPJQKUAO-GDNZZTSVSA-N 2 1 252.362 -0.012 20 0 CBADMP C[N@@H+]1CC[C@H]2OCCN(C(=O)CC(F)(F)C[NH3+])[C@H]2C1 ZINC000568894392 354835308 /nfs/dbraw/zinc/83/53/08/354835308.db2.gz RGKINNBCGSGGMP-VHSXEESVSA-N 2 1 277.315 -0.098 20 0 CBADMP C[N@H+]1CC[C@H]2OCCN(C(=O)CC(F)(F)C[NH3+])[C@H]2C1 ZINC000568894392 354835311 /nfs/dbraw/zinc/83/53/11/354835311.db2.gz RGKINNBCGSGGMP-VHSXEESVSA-N 2 1 277.315 -0.098 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000569228089 354840145 /nfs/dbraw/zinc/84/01/45/354840145.db2.gz BEHOFUNXLCMPCC-BETUJISGSA-N 2 1 294.399 -0.783 20 0 CBADMP C[C@@H](CNC(=O)C1(C)C[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000569808329 354846341 /nfs/dbraw/zinc/84/63/41/354846341.db2.gz ZIIOSUDTLRVDGW-LBPRGKRZSA-N 2 1 268.405 -0.404 20 0 CBADMP COC(=O)C[C@H](N)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000569924385 354849823 /nfs/dbraw/zinc/84/98/23/354849823.db2.gz WVORATKKHMQVEU-IUCAKERBSA-N 2 1 254.290 -0.722 20 0 CBADMP CCOC[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000569960521 354850680 /nfs/dbraw/zinc/85/06/80/354850680.db2.gz KQPQTRHSJJFPGF-OLZOCXBDSA-N 2 1 287.404 -0.439 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000569967543 354851726 /nfs/dbraw/zinc/85/17/26/354851726.db2.gz UGPXHNUOUBKZGT-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000570046306 354852445 /nfs/dbraw/zinc/85/24/45/354852445.db2.gz NXUHDNRMIKZZGZ-RYUDHWBXSA-N 2 1 254.378 -0.557 20 0 CBADMP CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000571755553 354878720 /nfs/dbraw/zinc/87/87/20/354878720.db2.gz HAWRIJDGOZIRPR-CMPLNLGQSA-N 2 1 293.433 -0.641 20 0 CBADMP CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000571755553 354878721 /nfs/dbraw/zinc/87/87/21/354878721.db2.gz HAWRIJDGOZIRPR-CMPLNLGQSA-N 2 1 293.433 -0.641 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000570098917 354855015 /nfs/dbraw/zinc/85/50/15/354855015.db2.gz ZBIJTJFQNUZKAC-CYBMUJFWSA-N 2 1 284.404 -0.881 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[C@H](C)[N@H+]1C ZINC000570199136 354857004 /nfs/dbraw/zinc/85/70/04/354857004.db2.gz NBPYCGDXVYZCSZ-XQQFMLRXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000570199136 354857006 /nfs/dbraw/zinc/85/70/06/354857006.db2.gz NBPYCGDXVYZCSZ-XQQFMLRXSA-N 2 1 296.415 -0.265 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000570291314 354858430 /nfs/dbraw/zinc/85/84/30/354858430.db2.gz AWTRJZSBMBUJQS-PWSUYJOCSA-N 2 1 293.371 -0.578 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000570461777 354863028 /nfs/dbraw/zinc/86/30/28/354863028.db2.gz UUGAXUANRCKYEM-STQMWFEESA-N 2 1 299.415 -0.284 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000570461777 354863031 /nfs/dbraw/zinc/86/30/31/354863031.db2.gz UUGAXUANRCKYEM-STQMWFEESA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)CCOC2C[NH2+]C2)C1 ZINC000570520430 354864025 /nfs/dbraw/zinc/86/40/25/354864025.db2.gz XNCVFPKRSGOOEQ-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000570630574 354865728 /nfs/dbraw/zinc/86/57/28/354865728.db2.gz BSRXFFKAPPIFTQ-GFCCVEGCSA-N 2 1 255.362 -0.035 20 0 CBADMP [NH3+][C@@H]1C[C@H]2CN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000571938291 354884490 /nfs/dbraw/zinc/88/44/90/354884490.db2.gz ABRPJDFAQBCMLD-IGQOVBAYSA-N 2 1 294.399 -0.907 20 0 CBADMP [NH3+][C@@H]1C[C@H]2CN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000571938291 354884491 /nfs/dbraw/zinc/88/44/91/354884491.db2.gz ABRPJDFAQBCMLD-IGQOVBAYSA-N 2 1 294.399 -0.907 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000572291229 354890154 /nfs/dbraw/zinc/89/01/54/354890154.db2.gz FKSGHEFBBHGBMT-UWVGGRQHSA-N 2 1 257.334 -0.665 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000572291229 354890157 /nfs/dbraw/zinc/89/01/57/354890157.db2.gz FKSGHEFBBHGBMT-UWVGGRQHSA-N 2 1 257.334 -0.665 20 0 CBADMP C[C@@H]1C[C@H](C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[NH2+]1 ZINC000572498228 354893091 /nfs/dbraw/zinc/89/30/91/354893091.db2.gz MJWSVLXZXXXQBK-NDBYEHHHSA-N 3 1 266.389 -0.382 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572736050 354897054 /nfs/dbraw/zinc/89/70/54/354897054.db2.gz IORUWRVNXCEJRE-YVECIDJPSA-N 2 1 294.399 -0.370 20 0 CBADMP C[N@H+]1CC[C@H]2OCCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)[C@H]2C1 ZINC000572869821 354900297 /nfs/dbraw/zinc/90/02/97/354900297.db2.gz RYSOGESUJZRILB-CZXHOFHRSA-N 2 1 265.357 -0.330 20 0 CBADMP C[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+]1CCSCC1 ZINC000573645619 354917469 /nfs/dbraw/zinc/91/74/69/354917469.db2.gz IYADJEHTUNCMLP-WOPDTQHZSA-N 2 1 287.429 -0.443 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000572982203 354901794 /nfs/dbraw/zinc/90/17/94/354901794.db2.gz OFVQGJMFHLNNIY-NEPJUHHUSA-N 2 1 257.378 -0.291 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000572982203 354901798 /nfs/dbraw/zinc/90/17/98/354901798.db2.gz OFVQGJMFHLNNIY-NEPJUHHUSA-N 2 1 257.378 -0.291 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000572982203 354901801 /nfs/dbraw/zinc/90/18/01/354901801.db2.gz OFVQGJMFHLNNIY-NEPJUHHUSA-N 2 1 257.378 -0.291 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000572982203 354901804 /nfs/dbraw/zinc/90/18/04/354901804.db2.gz OFVQGJMFHLNNIY-NEPJUHHUSA-N 2 1 257.378 -0.291 20 0 CBADMP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000573075195 354904095 /nfs/dbraw/zinc/90/40/95/354904095.db2.gz NDOFPTVPUAOSIZ-STQMWFEESA-N 2 1 294.399 -0.449 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000573189984 354906609 /nfs/dbraw/zinc/90/66/09/354906609.db2.gz MYBACZBQFPENKM-UONOGXRCSA-N 2 1 297.447 -0.079 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000573189982 354906920 /nfs/dbraw/zinc/90/69/20/354906920.db2.gz MYBACZBQFPENKM-KBPBESRZSA-N 2 1 297.447 -0.079 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000573218820 354908434 /nfs/dbraw/zinc/90/84/34/354908434.db2.gz PWLKDMBPSHFVBC-SRVKXCTJSA-N 2 1 255.362 -0.539 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000573370901 354911003 /nfs/dbraw/zinc/91/10/03/354911003.db2.gz POSWBTJFANFBQO-TXEJJXNPSA-N 2 1 275.418 -0.143 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000573507450 354915489 /nfs/dbraw/zinc/91/54/89/354915489.db2.gz YRVBNFHBNCKCKP-SDDRHHMPSA-N 2 1 280.372 -0.793 20 0 CBADMP NC(=O)NC(=O)CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000571790266 354880306 /nfs/dbraw/zinc/88/03/06/354880306.db2.gz FVODIYHALKTDOT-SECBINFHSA-N 2 1 254.334 -0.355 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000574998050 354933203 /nfs/dbraw/zinc/93/32/03/354933203.db2.gz BBUQOUBIJZXVMS-UHFFFAOYSA-N 2 1 265.304 -0.191 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)NCC[N@H+]1CCCOCC1 ZINC000574998050 354933205 /nfs/dbraw/zinc/93/32/05/354933205.db2.gz BBUQOUBIJZXVMS-UHFFFAOYSA-N 2 1 265.304 -0.191 20 0 CBADMP CN(C)c1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc[nH+]1 ZINC000578206355 354941223 /nfs/dbraw/zinc/94/12/23/354941223.db2.gz PTJZTHHHPQMYRO-VHSXEESVSA-N 2 1 276.344 -0.709 20 0 CBADMP O=C(NC[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1)[C@H]1CCC[NH2+]1 ZINC000578770317 354954464 /nfs/dbraw/zinc/95/44/64/354954464.db2.gz PLAKQIFFFYOSNP-XQQFMLRXSA-N 2 1 294.399 -0.545 20 0 CBADMP CC[C@@H](C)NC(=O)CN1CC[NH+](CCOCC[NH3+])CC1 ZINC000579008414 354960079 /nfs/dbraw/zinc/96/00/79/354960079.db2.gz UOKVUUZGTUIAOE-CYBMUJFWSA-N 2 1 286.420 -0.506 20 0 CBADMP C[C@H](C(=O)NC[C@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000573724101 354919449 /nfs/dbraw/zinc/91/94/49/354919449.db2.gz QJQNVIPDWCXUPC-VXGBXAGGSA-N 2 1 254.378 -0.510 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CC2(C[NH3+])CC2)C1 ZINC000579118869 354962784 /nfs/dbraw/zinc/96/27/84/354962784.db2.gz XYEACSSZIZFDMQ-GFCCVEGCSA-N 2 1 296.415 -0.181 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000579256942 354967499 /nfs/dbraw/zinc/96/74/99/354967499.db2.gz LAJHSSSIZJKWAB-OCCSQVGLSA-N 2 1 267.373 -0.347 20 0 CBADMP CC1CC[NH+](C[C@@H](O)C[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000580074329 354986948 /nfs/dbraw/zinc/98/69/48/354986948.db2.gz OSRBTPYLTBKCNR-NSHDSACASA-N 2 1 286.376 -0.746 20 0 CBADMP C[C@@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CC[NH+](C)CC1 ZINC000581012798 355003802 /nfs/dbraw/zinc/00/38/02/355003802.db2.gz VPXNITHJOXJSBT-DZGCQCFKSA-N 2 1 280.416 -0.166 20 0 CBADMP CC(C)OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000580715239 354996970 /nfs/dbraw/zinc/99/69/70/354996970.db2.gz UIFYMGZTWVVWNU-CHWSQXEVSA-N 2 1 260.378 -0.181 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000584598421 355033048 /nfs/dbraw/zinc/03/30/48/355033048.db2.gz HUMQPZCFQJHFTF-UONOGXRCSA-N 2 1 298.431 -0.458 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000584598422 355033079 /nfs/dbraw/zinc/03/30/79/355033079.db2.gz HUMQPZCFQJHFTF-ZIAGYGMSSA-N 2 1 298.431 -0.458 20 0 CBADMP C[C@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)N1CC[NH+](C)CC1 ZINC000584604360 355033466 /nfs/dbraw/zinc/03/34/66/355033466.db2.gz MNTJKILIBVOHCN-JHJVBQTASA-N 2 1 268.405 -0.169 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000584839838 355039774 /nfs/dbraw/zinc/03/97/74/355039774.db2.gz JJFZBIOQTRCUHA-VXGBXAGGSA-N 2 1 275.418 -0.143 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000584839838 355039776 /nfs/dbraw/zinc/03/97/76/355039776.db2.gz JJFZBIOQTRCUHA-VXGBXAGGSA-N 2 1 275.418 -0.143 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCN2C1=O ZINC000584851600 355040890 /nfs/dbraw/zinc/04/08/90/355040890.db2.gz XLAHJKXFIBCTDB-QWHCGFSZSA-N 3 1 266.389 -0.380 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCN2C1=O ZINC000584851595 355041052 /nfs/dbraw/zinc/04/10/52/355041052.db2.gz XLAHJKXFIBCTDB-CHWSQXEVSA-N 3 1 266.389 -0.380 20 0 CBADMP CC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000582237827 355011294 /nfs/dbraw/zinc/01/12/94/355011294.db2.gz AOTGVWZHVJYUJO-WDEREUQCSA-N 2 1 270.377 -0.573 20 0 CBADMP O=C(C[C@@H]1CSCC[NH2+]1)NCC[N@H+]1CCCOCC1 ZINC000582299755 355012887 /nfs/dbraw/zinc/01/28/87/355012887.db2.gz FNYRXPWDEAXOBK-GFCCVEGCSA-N 2 1 287.429 -0.080 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000582428159 355016957 /nfs/dbraw/zinc/01/69/57/355016957.db2.gz BPAVYDWXOSKMJT-IPYPFGDCSA-N 2 1 299.415 -0.428 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000582428159 355016960 /nfs/dbraw/zinc/01/69/60/355016960.db2.gz BPAVYDWXOSKMJT-IPYPFGDCSA-N 2 1 299.415 -0.428 20 0 CBADMP CCC[C@H]1CN(C(=O)[C@H](C[NH3+])OC)CC[N@H+]1CCOC ZINC000583633822 355022554 /nfs/dbraw/zinc/02/25/54/355022554.db2.gz YCLKIDPREAJQFE-STQMWFEESA-N 2 1 287.404 -0.081 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000583872463 355024050 /nfs/dbraw/zinc/02/40/50/355024050.db2.gz JXYRMNPUQUCUQU-OLZOCXBDSA-N 2 1 268.405 -0.180 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000583872463 355024053 /nfs/dbraw/zinc/02/40/53/355024053.db2.gz JXYRMNPUQUCUQU-OLZOCXBDSA-N 3 1 268.405 -0.180 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000583872463 355024055 /nfs/dbraw/zinc/02/40/55/355024055.db2.gz JXYRMNPUQUCUQU-OLZOCXBDSA-N 3 1 268.405 -0.180 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)N1CC[NH+](C)CC1 ZINC000586754177 355052371 /nfs/dbraw/zinc/05/23/71/355052371.db2.gz WIGHRQCWZQTJNR-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)N1CC[NH+](C)CC1 ZINC000586754177 355052373 /nfs/dbraw/zinc/05/23/73/355052373.db2.gz WIGHRQCWZQTJNR-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000591667693 355106867 /nfs/dbraw/zinc/10/68/67/355106867.db2.gz ODPPRWCCFXXTJU-CYBMUJFWSA-N 2 1 268.405 -0.308 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000591667693 355106870 /nfs/dbraw/zinc/10/68/70/355106870.db2.gz ODPPRWCCFXXTJU-CYBMUJFWSA-N 2 1 268.405 -0.308 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000591667693 355106873 /nfs/dbraw/zinc/10/68/73/355106873.db2.gz ODPPRWCCFXXTJU-CYBMUJFWSA-N 2 1 268.405 -0.308 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000592553492 355162668 /nfs/dbraw/zinc/16/26/68/355162668.db2.gz VMEZQRNUWBPULY-UTUOFQBUSA-N 2 1 283.372 -0.310 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C ZINC000592566431 355165353 /nfs/dbraw/zinc/16/53/53/355165353.db2.gz NTMYDCJKWBFQPA-NMKXLXIOSA-N 2 1 295.383 -0.452 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C ZINC000592566431 355165357 /nfs/dbraw/zinc/16/53/57/355165357.db2.gz NTMYDCJKWBFQPA-NMKXLXIOSA-N 2 1 295.383 -0.452 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)COCC[NH3+])C[C@H]1C ZINC000592566017 355165665 /nfs/dbraw/zinc/16/56/65/355165665.db2.gz JCGPWKBMYCNXFP-LLVKDONJSA-N 2 1 287.360 -0.943 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)COCC[NH3+])C[C@H]1C ZINC000592566017 355165668 /nfs/dbraw/zinc/16/56/68/355165668.db2.gz JCGPWKBMYCNXFP-LLVKDONJSA-N 2 1 287.360 -0.943 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000592040393 355127548 /nfs/dbraw/zinc/12/75/48/355127548.db2.gz DRKLADYIPGJMHZ-NEPJUHHUSA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000592135850 355133050 /nfs/dbraw/zinc/13/30/50/355133050.db2.gz DUSCXXIDRJJSFF-QWRGUYRKSA-N 2 1 269.345 -0.523 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000592135850 355133055 /nfs/dbraw/zinc/13/30/55/355133055.db2.gz DUSCXXIDRJJSFF-QWRGUYRKSA-N 2 1 269.345 -0.523 20 0 CBADMP COC(=O)c1cn([C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000592495585 355158229 /nfs/dbraw/zinc/15/82/29/355158229.db2.gz MOQSKUGIENLOAR-MNOVXSKESA-N 2 1 279.344 -0.079 20 0 CBADMP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000595659331 355298631 /nfs/dbraw/zinc/29/86/31/355298631.db2.gz MUORGFCPRJTTRL-WDEREUQCSA-N 2 1 253.302 -0.117 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@H+](C)CCC[NH3+])C1=O ZINC000595891054 355314418 /nfs/dbraw/zinc/31/44/18/355314418.db2.gz JVRZQDQVCMVTSX-SNVBAGLBSA-N 2 1 257.334 -0.569 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@@H+](C)CCC[NH3+])C1=O ZINC000595891054 355314419 /nfs/dbraw/zinc/31/44/19/355314419.db2.gz JVRZQDQVCMVTSX-SNVBAGLBSA-N 2 1 257.334 -0.569 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000595262835 355276664 /nfs/dbraw/zinc/27/66/64/355276664.db2.gz FOUQOPXRQCVEHA-QJPTWQEYSA-N 2 1 295.387 -0.966 20 0 CBADMP CCn1cc(CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000598682060 355449975 /nfs/dbraw/zinc/44/99/75/355449975.db2.gz LCXVMTPCMAJKHY-QWHCGFSZSA-N 2 1 277.372 -0.311 20 0 CBADMP CCn1cc(CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000598682060 355449974 /nfs/dbraw/zinc/44/99/74/355449974.db2.gz LCXVMTPCMAJKHY-QWHCGFSZSA-N 2 1 277.372 -0.311 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598684802 355450162 /nfs/dbraw/zinc/45/01/62/355450162.db2.gz ZEHPOODNVCFAFS-JOYOIKCWSA-N 2 1 254.334 -0.355 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598684802 355450166 /nfs/dbraw/zinc/45/01/66/355450166.db2.gz ZEHPOODNVCFAFS-JOYOIKCWSA-N 2 1 254.334 -0.355 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000599394914 355485568 /nfs/dbraw/zinc/48/55/68/355485568.db2.gz KTRCLXNOUXPPOB-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000599394914 355485572 /nfs/dbraw/zinc/48/55/72/355485572.db2.gz KTRCLXNOUXPPOB-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP COC(=O)CCCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000600712033 355561996 /nfs/dbraw/zinc/56/19/96/355561996.db2.gz VOHYPKMXEHGLLO-QWRGUYRKSA-N 2 1 269.345 -0.427 20 0 CBADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326789 355586310 /nfs/dbraw/zinc/58/63/10/355586310.db2.gz PRIJPBSBLZLKTM-KXUCPTDWSA-N 2 1 268.361 -0.110 20 0 CBADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326789 355586314 /nfs/dbraw/zinc/58/63/14/355586314.db2.gz PRIJPBSBLZLKTM-KXUCPTDWSA-N 2 1 268.361 -0.110 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000600950050 355571312 /nfs/dbraw/zinc/57/13/12/355571312.db2.gz JUZNXXVTJSLVAF-CYBMUJFWSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000600950050 355571316 /nfs/dbraw/zinc/57/13/16/355571316.db2.gz JUZNXXVTJSLVAF-CYBMUJFWSA-N 2 1 280.416 -0.166 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000602751275 355670450 /nfs/dbraw/zinc/67/04/50/355670450.db2.gz XDPAJHJDMHWBLT-JTQLQIEISA-N 2 1 271.361 -0.262 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000602751275 355670452 /nfs/dbraw/zinc/67/04/52/355670452.db2.gz XDPAJHJDMHWBLT-JTQLQIEISA-N 2 1 271.361 -0.262 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@H]1C ZINC000602504294 355654457 /nfs/dbraw/zinc/65/44/57/355654457.db2.gz UARARAJUIXQMPX-NTZNESFSSA-N 2 1 299.371 -0.802 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@H]1C ZINC000602504294 355654461 /nfs/dbraw/zinc/65/44/61/355654461.db2.gz UARARAJUIXQMPX-NTZNESFSSA-N 2 1 299.371 -0.802 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000602501666 355655032 /nfs/dbraw/zinc/65/50/32/355655032.db2.gz DZAOSOVKBQJMFS-GMXVVIOVSA-N 2 1 299.371 -0.802 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000602523735 355657492 /nfs/dbraw/zinc/65/74/92/355657492.db2.gz HOMLNXIZMNOHKD-IJLUTSLNSA-N 2 1 280.372 -0.901 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCCN1CCc1c[nH+]cn1C ZINC000603430053 355715215 /nfs/dbraw/zinc/71/52/15/355715215.db2.gz QSIDYAOBDPMSAE-LBPRGKRZSA-N 2 1 266.345 -0.201 20 0 CBADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)NC(N)=O)C2)CC1 ZINC000602877449 355679513 /nfs/dbraw/zinc/67/95/13/355679513.db2.gz NUZAZPREIJXTAO-UHFFFAOYSA-N 2 1 254.334 -0.401 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000602891473 355681632 /nfs/dbraw/zinc/68/16/32/355681632.db2.gz NMBZZSRKMCKZBL-ZDUSSCGKSA-N 2 1 286.376 -0.650 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NCCC[NH+](C)C)C1 ZINC000606618536 355741006 /nfs/dbraw/zinc/74/10/06/355741006.db2.gz GNHDNGVANMBYFL-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000607151008 355746177 /nfs/dbraw/zinc/74/61/77/355746177.db2.gz ZSTUQNQBBGCBPG-ZQDZILKHSA-N 3 1 264.417 -0.321 20 0 CBADMP C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000607151008 355746180 /nfs/dbraw/zinc/74/61/80/355746180.db2.gz ZSTUQNQBBGCBPG-ZQDZILKHSA-N 3 1 264.417 -0.321 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612875874 355853983 /nfs/dbraw/zinc/85/39/83/355853983.db2.gz OBJXOKNIJVRWCY-LBPRGKRZSA-N 2 1 258.366 -0.384 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612879552 355854016 /nfs/dbraw/zinc/85/40/16/355854016.db2.gz ZMFLIWZUDJJQTL-JSGCOSHPSA-N 2 1 283.420 -0.327 20 0 CBADMP O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613210935 355873075 /nfs/dbraw/zinc/87/30/75/355873075.db2.gz UPQCRRPCPRZPKQ-CRWXNKLISA-N 2 1 270.373 -0.306 20 0 CBADMP C[NH+](C)C[C@H](CO)NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000614845392 355988332 /nfs/dbraw/zinc/98/83/32/355988332.db2.gz CNXHBWHGLNXECG-MNOVXSKESA-N 2 1 275.418 -0.538 20 0 CBADMP C[NH+](C)C[C@H](CO)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000614849269 355989713 /nfs/dbraw/zinc/98/97/13/355989713.db2.gz WKNGUEZEOHZZIW-LLVKDONJSA-N 2 1 296.371 -0.077 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)[NH+](C)C ZINC000614505823 355965928 /nfs/dbraw/zinc/96/59/28/355965928.db2.gz BCJRNPNTOIHWDD-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000615313288 356021050 /nfs/dbraw/zinc/02/10/50/356021050.db2.gz HXGVKIMLBSDVCE-RDBSUJKOSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1([NH+](C)C)CC1 ZINC000616478045 356093430 /nfs/dbraw/zinc/09/34/30/356093430.db2.gz JKOKBHIEEVZFFE-NSHDSACASA-N 2 1 282.388 -0.341 20 0 CBADMP C[C@H](CCNC(=O)CN1CC[NH+](C)CC1)[NH+](C)C ZINC000617753685 356154317 /nfs/dbraw/zinc/15/43/17/356154317.db2.gz IGBXNXODCZOBKY-GFCCVEGCSA-N 2 1 256.394 -0.310 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000618193250 356179484 /nfs/dbraw/zinc/17/94/84/356179484.db2.gz PJJSTEJRHJHFLT-LBPRGKRZSA-N 2 1 255.362 -0.273 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000618193250 356179489 /nfs/dbraw/zinc/17/94/89/356179489.db2.gz PJJSTEJRHJHFLT-LBPRGKRZSA-N 2 1 255.362 -0.273 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000617502091 356139671 /nfs/dbraw/zinc/13/96/71/356139671.db2.gz BTOCCSSIVDHASM-NWDGAFQWSA-N 2 1 299.419 -0.602 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000617502091 356139673 /nfs/dbraw/zinc/13/96/73/356139673.db2.gz BTOCCSSIVDHASM-NWDGAFQWSA-N 2 1 299.419 -0.602 20 0 CBADMP CCNC(=O)CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506596 356139981 /nfs/dbraw/zinc/13/99/81/356139981.db2.gz SMCPIQWPBKBELQ-LBPRGKRZSA-N 2 1 286.420 -0.099 20 0 CBADMP CCNC(=O)CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506596 356139983 /nfs/dbraw/zinc/13/99/83/356139983.db2.gz SMCPIQWPBKBELQ-LBPRGKRZSA-N 2 1 286.420 -0.099 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC000617508217 356141137 /nfs/dbraw/zinc/14/11/37/356141137.db2.gz YLOISJIJFUFPLW-AVGNSLFASA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC000617508217 356141138 /nfs/dbraw/zinc/14/11/38/356141138.db2.gz YLOISJIJFUFPLW-AVGNSLFASA-N 2 1 298.431 -0.114 20 0 CBADMP CCN(C(=O)CN1CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000617555198 356141418 /nfs/dbraw/zinc/14/14/18/356141418.db2.gz RBVJMVBVMBWXDF-ZDUSSCGKSA-N 2 1 268.405 -0.214 20 0 CBADMP CCN(C(=O)CN1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000617555198 356141420 /nfs/dbraw/zinc/14/14/20/356141420.db2.gz RBVJMVBVMBWXDF-ZDUSSCGKSA-N 2 1 268.405 -0.214 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618305465 356185678 /nfs/dbraw/zinc/18/56/78/356185678.db2.gz VMGZYQIVWAHESR-UHFFFAOYSA-N 2 1 286.420 -0.195 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621699007 356282068 /nfs/dbraw/zinc/28/20/68/356282068.db2.gz JXZAUKGLGMOAMX-MPPDQPJWSA-N 2 1 253.346 -0.297 20 0 CBADMP C[C@@H](C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[NH+](C)C ZINC000620482488 356244523 /nfs/dbraw/zinc/24/45/23/356244523.db2.gz PGQSSNRMDSLEIF-AAEUAGOBSA-N 2 1 269.389 -0.006 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000622003951 356298820 /nfs/dbraw/zinc/29/88/20/356298820.db2.gz IFMNFOWONKIANZ-UMVBOHGHSA-N 3 1 280.416 -0.003 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](CN2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000622003951 356298823 /nfs/dbraw/zinc/29/88/23/356298823.db2.gz IFMNFOWONKIANZ-UMVBOHGHSA-N 2 1 280.416 -0.003 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000622460396 356320800 /nfs/dbraw/zinc/32/08/00/356320800.db2.gz QNESRFKNAVTBPV-LBPRGKRZSA-N 2 1 254.334 -0.380 20 0 CBADMP C[N@H+]1CC[C@H]2OCCN(C(=O)C[NH2+]CC3CC3)[C@H]2C1 ZINC000423934977 283155761 /nfs/dbraw/zinc/15/57/61/283155761.db2.gz XPSBTRBVGIQYEF-QWHCGFSZSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624165112 356399931 /nfs/dbraw/zinc/39/99/31/356399931.db2.gz YLFCBDKMBRGBEJ-SECBINFHSA-N 2 1 293.375 -0.614 20 0 CBADMP C[C@H](CNc1nc(N)[nH+]c(N)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000623859101 356379440 /nfs/dbraw/zinc/37/94/40/356379440.db2.gz AWIDDDXDAGICBR-RKDXNWHRSA-N 2 1 265.365 -0.349 20 0 CBADMP C[C@@H](CNc1nc(N)nc(N)[nH+]1)C[NH+]1CCCCC1 ZINC000623877751 356380061 /nfs/dbraw/zinc/38/00/61/356380061.db2.gz LHHLJULBIFGHJQ-VIFPVBQESA-N 2 1 265.365 -0.347 20 0 CBADMP C[N@@H+](CCNc1nc(N)[nH+]c(N)n1)Cc1ccccc1 ZINC000623884723 356380498 /nfs/dbraw/zinc/38/04/98/356380498.db2.gz HBJDIDYLEHVKPJ-UHFFFAOYSA-N 2 1 273.344 -0.337 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623885096 356381437 /nfs/dbraw/zinc/38/14/37/356381437.db2.gz QCVXDDJHKYEPKR-QMMMGPOBSA-N 2 1 251.338 -0.738 20 0 CBADMP CCC[N@@H+]1CC[C@@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623885096 356381440 /nfs/dbraw/zinc/38/14/40/356381440.db2.gz QCVXDDJHKYEPKR-QMMMGPOBSA-N 2 1 251.338 -0.738 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623885096 356381444 /nfs/dbraw/zinc/38/14/44/356381444.db2.gz QCVXDDJHKYEPKR-QMMMGPOBSA-N 2 1 251.338 -0.738 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1nc(N)[nH+]c(N)n1 ZINC000623885573 356381652 /nfs/dbraw/zinc/38/16/52/356381652.db2.gz BFXXFPWVOXRBQU-RKDXNWHRSA-N 2 1 265.365 -0.349 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000623961098 356385675 /nfs/dbraw/zinc/38/56/75/356385675.db2.gz SKUCODIZRWINRG-MRVPVSSYSA-N 2 1 251.338 -0.595 20 0 CBADMP CC(C)[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@H+]1C ZINC000624156176 356400430 /nfs/dbraw/zinc/40/04/30/356400430.db2.gz SPRCTUMJEHAAAX-MRVPVSSYSA-N 2 1 251.338 -0.527 20 0 CBADMP C[C@H]1C[C@@H](N(C)c2nc(N)[nH+]c(N)n2)CC[N@H+]1C ZINC000623991987 356386817 /nfs/dbraw/zinc/38/68/17/356386817.db2.gz YIDAIAWDPFAGMB-YUMQZZPRSA-N 2 1 251.338 -0.384 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624006084 356388390 /nfs/dbraw/zinc/38/83/90/356388390.db2.gz LKCCCCRGPKYEIZ-QMMMGPOBSA-N 2 1 251.338 -0.525 20 0 CBADMP CC[N@H+](C)C[C@@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624006084 356388393 /nfs/dbraw/zinc/38/83/93/356388393.db2.gz LKCCCCRGPKYEIZ-QMMMGPOBSA-N 2 1 251.338 -0.525 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624006084 356388396 /nfs/dbraw/zinc/38/83/96/356388396.db2.gz LKCCCCRGPKYEIZ-QMMMGPOBSA-N 2 1 251.338 -0.525 20 0 CBADMP C[N@@H+](CCNc1nc(N)[nH+]c(N)n1)Cc1ccc(F)cc1 ZINC000624022514 356388941 /nfs/dbraw/zinc/38/89/41/356388941.db2.gz RQRFWITXOWYNEA-UHFFFAOYSA-N 2 1 291.334 -0.198 20 0 CBADMP C[N@@H+](CC1CC1)C[C@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624011738 356389119 /nfs/dbraw/zinc/38/91/19/356389119.db2.gz HPYKJQVPLOCWPQ-SNVBAGLBSA-N 2 1 277.376 -0.135 20 0 CBADMP C[N@H+](CC1CC1)C[C@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624011738 356389122 /nfs/dbraw/zinc/38/91/22/356389122.db2.gz HPYKJQVPLOCWPQ-SNVBAGLBSA-N 2 1 277.376 -0.135 20 0 CBADMP C[N@@H+](CC1CC1)C[C@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624011738 356389125 /nfs/dbraw/zinc/38/91/25/356389125.db2.gz HPYKJQVPLOCWPQ-SNVBAGLBSA-N 2 1 277.376 -0.135 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624055918 356393625 /nfs/dbraw/zinc/39/36/25/356393625.db2.gz SFIDQJTWELPVEP-JTQLQIEISA-N 2 1 279.392 -0.101 20 0 CBADMP CC(C)C[N@@H+]1CCC[C@@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624055918 356393628 /nfs/dbraw/zinc/39/36/28/356393628.db2.gz SFIDQJTWELPVEP-JTQLQIEISA-N 2 1 279.392 -0.101 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624055918 356393632 /nfs/dbraw/zinc/39/36/32/356393632.db2.gz SFIDQJTWELPVEP-JTQLQIEISA-N 2 1 279.392 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H](Nc2nc(N)[nH+]c(N)n2)[C@H]1c1ccccc1 ZINC000624068513 356395151 /nfs/dbraw/zinc/39/51/51/356395151.db2.gz YFNVIPVUUAHFAC-GHMZBOCLSA-N 2 1 285.355 -0.024 20 0 CBADMP NC(=O)c1c[nH+]ccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000624678953 356431366 /nfs/dbraw/zinc/43/13/66/356431366.db2.gz GOOIMBKJXMZVML-SECBINFHSA-N 2 1 250.302 -0.919 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000624383997 356416027 /nfs/dbraw/zinc/41/60/27/356416027.db2.gz AKNOOFLXUNFTAK-ZETCQYMHSA-N 2 1 251.338 -0.597 20 0 CBADMP COCC[N@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC000625136273 356448769 /nfs/dbraw/zinc/44/87/69/356448769.db2.gz GRHBGHUSXYQREM-UHFFFAOYSA-N 2 1 254.334 -0.114 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC000625136273 356448770 /nfs/dbraw/zinc/44/87/70/356448770.db2.gz GRHBGHUSXYQREM-UHFFFAOYSA-N 2 1 254.334 -0.114 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419763960 283166039 /nfs/dbraw/zinc/16/60/39/283166039.db2.gz OTWOCSBNGPGKMX-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000346314766 283168524 /nfs/dbraw/zinc/16/85/24/283168524.db2.gz HWBIHPAKMHHVJS-JSGCOSHPSA-N 2 1 267.373 -0.129 20 0 CBADMP C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000346314766 283168525 /nfs/dbraw/zinc/16/85/25/283168525.db2.gz HWBIHPAKMHHVJS-JSGCOSHPSA-N 2 1 267.373 -0.129 20 0 CBADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000346314766 283168526 /nfs/dbraw/zinc/16/85/26/283168526.db2.gz HWBIHPAKMHHVJS-JSGCOSHPSA-N 2 1 267.373 -0.129 20 0 CBADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000346314766 283168527 /nfs/dbraw/zinc/16/85/27/283168527.db2.gz HWBIHPAKMHHVJS-JSGCOSHPSA-N 2 1 267.373 -0.129 20 0 CBADMP C[C@H]1OCC[C@H]1[N@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000328737978 202034100 /nfs/dbraw/zinc/03/41/00/202034100.db2.gz KNKZBZAPKFPUQJ-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H]1OCC[C@H]1[N@@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000328737978 202034104 /nfs/dbraw/zinc/03/41/04/202034104.db2.gz KNKZBZAPKFPUQJ-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626930878 356557248 /nfs/dbraw/zinc/55/72/48/356557248.db2.gz KKVZSIOJVHMFHG-CYBMUJFWSA-N 2 1 283.420 -0.327 20 0 CBADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000626938002 356557886 /nfs/dbraw/zinc/55/78/86/356557886.db2.gz LROOCKNYRXVPRU-JHJVBQTASA-N 2 1 282.388 -0.099 20 0 CBADMP CN(CCOCC[NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000626946425 356558698 /nfs/dbraw/zinc/55/86/98/356558698.db2.gz YJRBIICCUQTSAL-LLVKDONJSA-N 2 1 258.366 -0.303 20 0 CBADMP C[NH2+]CCOCCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000626950450 356559044 /nfs/dbraw/zinc/55/90/44/356559044.db2.gz RIRBZWHIOSEDFM-LLVKDONJSA-N 2 1 258.366 -0.384 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NCC1([NH3+])CCOCC1 ZINC000626965394 356560721 /nfs/dbraw/zinc/56/07/21/356560721.db2.gz CLNZXZLDYUSQHZ-UHFFFAOYSA-N 2 1 288.392 -0.628 20 0 CBADMP C[C@@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000626969972 356561127 /nfs/dbraw/zinc/56/11/27/356561127.db2.gz IVJHFZLNNFHFRM-WDEREUQCSA-N 2 1 270.377 -0.243 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)NC[C@@H]1COCC[NH2+]1 ZINC000626976749 356561585 /nfs/dbraw/zinc/56/15/85/356561585.db2.gz OHWNASKYFMGRQO-LLVKDONJSA-N 2 1 288.417 -0.677 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000626975147 356561838 /nfs/dbraw/zinc/56/18/38/356561838.db2.gz QPRXUEJIBIJCPF-FRRDWIJNSA-N 2 1 283.420 -0.328 20 0 CBADMP C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000627003980 356566193 /nfs/dbraw/zinc/56/61/93/356566193.db2.gz XRQNKJCIZCXPAK-YFKTTZPYSA-N 2 1 270.377 -0.245 20 0 CBADMP C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000627003980 356566196 /nfs/dbraw/zinc/56/61/96/356566196.db2.gz XRQNKJCIZCXPAK-YFKTTZPYSA-N 2 1 270.377 -0.245 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@H]1CCC[NH2+]C1 ZINC000627068284 356572572 /nfs/dbraw/zinc/57/25/72/356572572.db2.gz HDBXTTVLUGFZKR-NWDGAFQWSA-N 2 1 270.377 -0.648 20 0 CBADMP CCN(CC[NH3+])C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000626983624 356563274 /nfs/dbraw/zinc/56/32/74/356563274.db2.gz QUAJZJNNWRACEX-GFCCVEGCSA-N 2 1 272.393 -0.055 20 0 CBADMP CCN(CC[NH3+])C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000626986775 356563464 /nfs/dbraw/zinc/56/34/64/356563464.db2.gz MSRMXNCMQXAHRF-CYBMUJFWSA-N 2 1 285.436 -0.140 20 0 CBADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000626986167 356563473 /nfs/dbraw/zinc/56/34/73/356563473.db2.gz BGLKDEYKJKMJDT-QWHCGFSZSA-N 2 1 283.420 -0.469 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)NCCOCCC[NH3+])n1C ZINC000626994711 356564339 /nfs/dbraw/zinc/56/43/39/356564339.db2.gz JPWBSPLHOCMOSE-UHFFFAOYSA-N 2 1 298.391 -0.349 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627130140 356587861 /nfs/dbraw/zinc/58/78/61/356587861.db2.gz JPPYCSLREKCGSQ-LBPRGKRZSA-N 2 1 284.404 -0.116 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627127367 356588162 /nfs/dbraw/zinc/58/81/62/356588162.db2.gz YGJFNMCHCTUKOL-VXGBXAGGSA-N 2 1 282.388 -0.363 20 0 CBADMP CC[NH+]1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627155989 356590364 /nfs/dbraw/zinc/59/03/64/356590364.db2.gz ORWJYHVZBVVQFB-UHFFFAOYSA-N 2 1 270.377 -0.159 20 0 CBADMP O=C(NCC[NH2+]C1CC1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627070277 356573607 /nfs/dbraw/zinc/57/36/07/356573607.db2.gz ZKIHTFAZMQNAOU-LLVKDONJSA-N 2 1 256.350 -0.896 20 0 CBADMP C[NH2+]CCOCCNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000627172632 356594066 /nfs/dbraw/zinc/59/40/66/356594066.db2.gz DOQMLZNVGYGECX-UHFFFAOYSA-N 2 1 270.377 -0.217 20 0 CBADMP CCC([NH3+])(CC)CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627081479 356577340 /nfs/dbraw/zinc/57/73/40/356577340.db2.gz ZAVLBUNVWSFVDO-LLVKDONJSA-N 2 1 272.393 -0.130 20 0 CBADMP CC1(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC[NH2+]CC1 ZINC000627084320 356578428 /nfs/dbraw/zinc/57/84/28/356578428.db2.gz SDDJHFYPDAKGQI-GFCCVEGCSA-N 2 1 284.404 -0.258 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000627086064 356579149 /nfs/dbraw/zinc/57/91/49/356579149.db2.gz GCLREBZAAVZKCX-NEPJUHHUSA-N 2 1 270.377 -0.506 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC[NH2+]1 ZINC000627088781 356580594 /nfs/dbraw/zinc/58/05/94/356580594.db2.gz IONBDHMCXBJASR-WOPDTQHZSA-N 2 1 270.377 -0.507 20 0 CBADMP [NH3+]C[C@@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000627090787 356581527 /nfs/dbraw/zinc/58/15/27/356581527.db2.gz ZNJSWTNDFLVYEN-QWHCGFSZSA-N 2 1 284.404 -0.130 20 0 CBADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000627103055 356583222 /nfs/dbraw/zinc/58/32/22/356583222.db2.gz XWZKPBWHVCBKOJ-GRYCIOLGSA-N 2 1 270.377 -0.520 20 0 CBADMP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000627103058 356583642 /nfs/dbraw/zinc/58/36/42/356583642.db2.gz XWZKPBWHVCBKOJ-SDDRHHMPSA-N 2 1 270.377 -0.520 20 0 CBADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627108059 356584127 /nfs/dbraw/zinc/58/41/27/356584127.db2.gz PVDZKIGAWHAZGF-GMTAPVOTSA-N 2 1 258.366 -0.522 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000627107356 356584307 /nfs/dbraw/zinc/58/43/07/356584307.db2.gz XRAAFQPRLAOADS-XJFOESAGSA-N 2 1 296.415 -0.260 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000627107349 356584402 /nfs/dbraw/zinc/58/44/02/356584402.db2.gz XRAAFQPRLAOADS-AAVRWANBSA-N 2 1 296.415 -0.260 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627108058 356584847 /nfs/dbraw/zinc/58/48/47/356584847.db2.gz PVDZKIGAWHAZGF-GARJFASQSA-N 2 1 258.366 -0.522 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627117690 356585866 /nfs/dbraw/zinc/58/58/66/356585866.db2.gz VXGNXNCMJPLWOT-VXGBXAGGSA-N 2 1 270.377 -0.242 20 0 CBADMP [NH3+]C1(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)CCCC1 ZINC000627112926 356586420 /nfs/dbraw/zinc/58/64/20/356586420.db2.gz NVBKGMDJDUFHNC-LLVKDONJSA-N 2 1 270.377 -0.376 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000627119692 356586589 /nfs/dbraw/zinc/58/65/89/356586589.db2.gz SXVOTCGBUXIRJT-NWDGAFQWSA-N 2 1 282.388 -0.506 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C)CCO1 ZINC000627134722 356587461 /nfs/dbraw/zinc/58/74/61/356587461.db2.gz AYULDCRHBKZQEE-UTUOFQBUSA-N 2 1 270.377 -0.162 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCCOCCC[NH3+])C[C@@H]21 ZINC000627219384 356608530 /nfs/dbraw/zinc/60/85/30/356608530.db2.gz CNQBJUCJDCVGLD-NEPJUHHUSA-N 2 1 270.377 -0.303 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCOCCC[NH3+] ZINC000627220038 356609099 /nfs/dbraw/zinc/60/90/99/356609099.db2.gz MSEPPSPLWOFKQX-GFCCVEGCSA-N 2 1 288.392 -0.940 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCOCCC[NH3+] ZINC000627220038 356609102 /nfs/dbraw/zinc/60/91/02/356609102.db2.gz MSEPPSPLWOFKQX-GFCCVEGCSA-N 2 1 288.392 -0.940 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000627225704 356609586 /nfs/dbraw/zinc/60/95/86/356609586.db2.gz AYULDCRHBKZQEE-GRYCIOLGSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000627244935 356611430 /nfs/dbraw/zinc/61/14/30/356611430.db2.gz AKHLYZZTZZOSMT-YNEHKIRRSA-N 2 1 284.404 -0.117 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251847 356614095 /nfs/dbraw/zinc/61/40/95/356614095.db2.gz BRIXSLHVCYWTRZ-WDEREUQCSA-N 2 1 256.350 -0.944 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251847 356614100 /nfs/dbraw/zinc/61/41/00/356614100.db2.gz BRIXSLHVCYWTRZ-WDEREUQCSA-N 2 1 256.350 -0.944 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627188755 356600029 /nfs/dbraw/zinc/60/00/29/356600029.db2.gz GCAVPNOHEGEFGI-LLVKDONJSA-N 2 1 270.377 -0.290 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627207544 356605303 /nfs/dbraw/zinc/60/53/03/356605303.db2.gz PUGISXWDAJYXMM-AVGNSLFASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627207542 356605347 /nfs/dbraw/zinc/60/53/47/356605347.db2.gz PUGISXWDAJYXMM-AGIUHOORSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627349707 356630934 /nfs/dbraw/zinc/63/09/34/356630934.db2.gz WTONFCMSXDFDTO-CKYFFXLPSA-N 2 1 280.372 -0.937 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627365203 356632701 /nfs/dbraw/zinc/63/27/01/356632701.db2.gz IQKKNYZHMQMKBQ-GRYCIOLGSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@@H+](C)C1CC1 ZINC000627372907 356634843 /nfs/dbraw/zinc/63/48/43/356634843.db2.gz ZUZXZMBYYKIXIR-UTUOFQBUSA-N 2 1 296.415 -0.158 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627372143 356634981 /nfs/dbraw/zinc/63/49/81/356634981.db2.gz CZZPURQYMBXDSM-RWMBFGLXSA-N 2 1 296.415 -0.156 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000627290044 356620838 /nfs/dbraw/zinc/62/08/38/356620838.db2.gz CAKVIBUGLYWHEG-LLVKDONJSA-N 2 1 296.371 -0.194 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000627372479 356635323 /nfs/dbraw/zinc/63/53/23/356635323.db2.gz NCQWWBQFKPFYLL-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000627304627 356622548 /nfs/dbraw/zinc/62/25/48/356622548.db2.gz AKEPSIGKPVDQJJ-QNWHQSFQSA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627311938 356623838 /nfs/dbraw/zinc/62/38/38/356623838.db2.gz LGUSZYKCAFWJGZ-RWMBFGLXSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)C[NH2+]1 ZINC000627319016 356625551 /nfs/dbraw/zinc/62/55/51/356625551.db2.gz HRWAKTDDCKVMIN-GHMZBOCLSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)C[NH2+]1 ZINC000627319017 356625661 /nfs/dbraw/zinc/62/56/61/356625661.db2.gz HRWAKTDDCKVMIN-MNOVXSKESA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[NH2+]1 ZINC000627325454 356626411 /nfs/dbraw/zinc/62/64/11/356626411.db2.gz KPLYJAQLZBWJRB-IJLUTSLNSA-N 2 1 294.399 -0.404 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627346534 356629671 /nfs/dbraw/zinc/62/96/71/356629671.db2.gz UTTUAXOKAUTLGS-PWSUYJOCSA-N 2 1 293.371 -0.436 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000627380657 356636564 /nfs/dbraw/zinc/63/65/64/356636564.db2.gz VQGNMSNYMLRTCL-LBPRGKRZSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506193 356660870 /nfs/dbraw/zinc/66/08/70/356660870.db2.gz DBIKRYWUOUIEMZ-UPJWGTAASA-N 2 1 294.399 -0.450 20 0 CBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627506016 356660912 /nfs/dbraw/zinc/66/09/12/356660912.db2.gz UETNZJZYXOJFMD-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C[NH2+]1 ZINC000627476710 356653246 /nfs/dbraw/zinc/65/32/46/356653246.db2.gz JYVNWWKDGXMRCF-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627478477 356653703 /nfs/dbraw/zinc/65/37/03/356653703.db2.gz NKKLEVUOPMKCTN-JHJVBQTASA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627484267 356655553 /nfs/dbraw/zinc/65/55/53/356655553.db2.gz VELBKBBGLCUGSA-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000627501939 356658752 /nfs/dbraw/zinc/65/87/52/356658752.db2.gz DZTGXJVJLNXSMT-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000627921654 356681024 /nfs/dbraw/zinc/68/10/24/356681024.db2.gz IBMIAABXYMOMDF-GFCCVEGCSA-N 2 1 293.371 -0.230 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000629569030 356781134 /nfs/dbraw/zinc/78/11/34/356781134.db2.gz ACIDOKVJIOZPRC-CYBMUJFWSA-N 2 1 295.387 -0.307 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000629569030 356781136 /nfs/dbraw/zinc/78/11/36/356781136.db2.gz ACIDOKVJIOZPRC-CYBMUJFWSA-N 2 1 295.387 -0.307 20 0 CBADMP O=C(NCC[NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccnc1 ZINC000629555749 356779801 /nfs/dbraw/zinc/77/98/01/356779801.db2.gz OTHQCBRCUQFJNC-AWEZNQCLSA-N 2 1 292.383 -0.142 20 0 CBADMP C[C@H]1COCCN1CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629560852 356779838 /nfs/dbraw/zinc/77/98/38/356779838.db2.gz YHUCPEDSDUAFEK-KBPBESRZSA-N 2 1 271.405 -0.247 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000629408185 356772844 /nfs/dbraw/zinc/77/28/44/356772844.db2.gz RDLULSBNNFIKDR-GXSJLCMTSA-N 2 1 261.391 -0.250 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCN[C@H]1CCC[C@H]1[NH3+] ZINC000629512187 356775993 /nfs/dbraw/zinc/77/59/93/356775993.db2.gz BKLNIQPWLYAJDQ-WOPDTQHZSA-N 2 1 254.378 -0.204 20 0 CBADMP CCn1nnc(C)c1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000629513083 356776107 /nfs/dbraw/zinc/77/61/07/356776107.db2.gz UCJJTBUOKUNRSR-GFCCVEGCSA-N 2 1 294.403 -0.107 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+](C)CCOCC[NH2+]C ZINC000629571441 356781073 /nfs/dbraw/zinc/78/10/73/356781073.db2.gz MAZBAJDKVOBMGH-UHFFFAOYSA-N 2 1 267.395 -0.907 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629570795 356781083 /nfs/dbraw/zinc/78/10/83/356781083.db2.gz DJCSUWOTYOUDHZ-GFCCVEGCSA-N 3 1 257.378 -0.325 20 0 CBADMP C[C@H]1C[NH2+]CC[C@H]1C[NH2+]Cc1nc(C[NH3+])cc(=O)[n-]1 ZINC000629654005 356788684 /nfs/dbraw/zinc/78/86/84/356788684.db2.gz SYDSERITRNAYTP-UWVGGRQHSA-N 2 1 265.361 -0.024 20 0 CBADMP COC[C@]1(C)C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629673796 356788812 /nfs/dbraw/zinc/78/88/12/356788812.db2.gz IDOCZVHENYBSCU-HIFRSBDPSA-N 2 1 299.415 -0.079 20 0 CBADMP C[C@H]1C[NH2+]CC[C@@H]1C[NH2+]Cc1nc(C[NH3+])cc(=O)[n-]1 ZINC000629654006 356788896 /nfs/dbraw/zinc/78/88/96/356788896.db2.gz SYDSERITRNAYTP-VHSXEESVSA-N 2 1 265.361 -0.024 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000629797179 356794153 /nfs/dbraw/zinc/79/41/53/356794153.db2.gz WTEMRONVZVPIEY-GFCCVEGCSA-N 2 1 282.388 -0.511 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000629800868 356794935 /nfs/dbraw/zinc/79/49/35/356794935.db2.gz CROHRXCGKLEKOS-GFCCVEGCSA-N 2 1 284.404 -0.406 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CC)CC[NH3+])C1 ZINC000629800658 356795054 /nfs/dbraw/zinc/79/50/54/356795054.db2.gz XZJGGCBCWXFZSD-CYBMUJFWSA-N 2 1 298.431 -0.016 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000629798848 356795084 /nfs/dbraw/zinc/79/50/84/356795084.db2.gz LSQHJNDNRLSSBN-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000629798822 356795224 /nfs/dbraw/zinc/79/52/24/356795224.db2.gz LGYYMTXABFQPRV-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP O=C(CCCC[NH+]1CCOCC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629912990 356805466 /nfs/dbraw/zinc/80/54/66/356805466.db2.gz QMERFCKIQIZNMD-AWEZNQCLSA-N 2 1 299.415 -0.328 20 0 CBADMP O=C(CCCC[NH+]1CCOCC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629912990 356805473 /nfs/dbraw/zinc/80/54/73/356805473.db2.gz QMERFCKIQIZNMD-AWEZNQCLSA-N 2 1 299.415 -0.328 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000629917408 356809544 /nfs/dbraw/zinc/80/95/44/356809544.db2.gz XSVAAEWZLACOET-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000629917408 356809547 /nfs/dbraw/zinc/80/95/47/356809547.db2.gz XSVAAEWZLACOET-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000629917408 356809553 /nfs/dbraw/zinc/80/95/53/356809553.db2.gz XSVAAEWZLACOET-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)CC2 ZINC000629917242 356809728 /nfs/dbraw/zinc/80/97/28/356809728.db2.gz RBHBGYFYQAUNMQ-OCCSQVGLSA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)CC2 ZINC000629917242 356809732 /nfs/dbraw/zinc/80/97/32/356809732.db2.gz RBHBGYFYQAUNMQ-OCCSQVGLSA-N 2 1 292.383 -0.063 20 0 CBADMP C[NH2+]C1(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CCC1 ZINC000630002092 356815573 /nfs/dbraw/zinc/81/55/73/356815573.db2.gz OSAXQHOTYCZXCP-GFCCVEGCSA-N 2 1 266.389 -0.365 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]C)CCC2)C1 ZINC000630000268 356815625 /nfs/dbraw/zinc/81/56/25/356815625.db2.gz IEUIJCMDKSMUFJ-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]C)CCC2)C1 ZINC000630000268 356815632 /nfs/dbraw/zinc/81/56/32/356815632.db2.gz IEUIJCMDKSMUFJ-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP Cn1cc(N2CC[C@@H]([N@H+](C)CCOCC[NH3+])C2=O)cn1 ZINC000629577392 356781780 /nfs/dbraw/zinc/78/17/80/356781780.db2.gz HICIHFQBWOYMOE-GFCCVEGCSA-N 2 1 281.360 -0.568 20 0 CBADMP Cn1cc(N2CC[C@@H]([N@@H+](C)CCOCC[NH3+])C2=O)cn1 ZINC000629577392 356781783 /nfs/dbraw/zinc/78/17/83/356781783.db2.gz HICIHFQBWOYMOE-GFCCVEGCSA-N 2 1 281.360 -0.568 20 0 CBADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582275 356782315 /nfs/dbraw/zinc/78/23/15/356782315.db2.gz QVUOQMIDNCDDGI-AXFHLTTASA-N 2 1 253.346 -0.297 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+](C)CCOCC[NH3+] ZINC000629581369 356782351 /nfs/dbraw/zinc/78/23/51/356782351.db2.gz YFCQOBJJSVZKFR-UHFFFAOYSA-N 2 1 267.395 -0.777 20 0 CBADMP CCN1CCN(C(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+])CC1 ZINC000629578538 356782553 /nfs/dbraw/zinc/78/25/53/356782553.db2.gz QJWYSIYKDDGPHL-CYBMUJFWSA-N 2 1 286.420 -0.554 20 0 CBADMP CCC[C@H](O)[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629584600 356783960 /nfs/dbraw/zinc/78/39/60/356783960.db2.gz TUJFOCTYLSZURE-AVGNSLFASA-N 2 1 260.378 -0.445 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000629595685 356784616 /nfs/dbraw/zinc/78/46/16/356784616.db2.gz UNDNELLJWQKYKB-LLVKDONJSA-N 2 1 263.407 -0.143 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000629595685 356784618 /nfs/dbraw/zinc/78/46/18/356784618.db2.gz UNDNELLJWQKYKB-LLVKDONJSA-N 2 1 263.407 -0.143 20 0 CBADMP C[N@@H+](C[C@@H](O)CNCC[NH+]1CC[C@@H](O)C1)C1CC1 ZINC000629607373 356785831 /nfs/dbraw/zinc/78/58/31/356785831.db2.gz RWEAJSWVRXJDID-OLZOCXBDSA-N 2 1 257.378 -0.902 20 0 CBADMP C[NH+](C[C@@H](O)CNCC[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000629607373 356785835 /nfs/dbraw/zinc/78/58/35/356785835.db2.gz RWEAJSWVRXJDID-OLZOCXBDSA-N 2 1 257.378 -0.902 20 0 CBADMP C[NH+](C[C@@H](O)CNCC[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000629607373 356785838 /nfs/dbraw/zinc/78/58/38/356785838.db2.gz RWEAJSWVRXJDID-OLZOCXBDSA-N 2 1 257.378 -0.902 20 0 CBADMP O[C@@H](CNCC[N@H+]1CC[C@@H](O)C1)C[NH+]1CCCC1 ZINC000629606766 356786378 /nfs/dbraw/zinc/78/63/78/356786378.db2.gz MHMUBMLGJGHFEO-OLZOCXBDSA-N 2 1 257.378 -0.901 20 0 CBADMP C[NH+](C)CCOCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631114392 356875107 /nfs/dbraw/zinc/87/51/07/356875107.db2.gz YNGJFRJELURRSK-CYBMUJFWSA-N 2 1 297.403 -0.018 20 0 CBADMP CN1CCO[C@@H](CS(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000631784567 356906671 /nfs/dbraw/zinc/90/66/71/356906671.db2.gz ZHHYEOWBXUUNDF-NWDGAFQWSA-N 2 1 291.417 -0.669 20 0 CBADMP CN1CCO[C@H](CS(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000631784568 356907004 /nfs/dbraw/zinc/90/70/04/356907004.db2.gz ZHHYEOWBXUUNDF-RYUDHWBXSA-N 2 1 291.417 -0.669 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CCC[N@H+]1C ZINC000631800027 356907909 /nfs/dbraw/zinc/90/79/09/356907909.db2.gz PDXZQRLXBPQDMY-NSHDSACASA-N 2 1 263.407 -0.048 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCN(C2CCC2)C1=O ZINC000631821569 356908896 /nfs/dbraw/zinc/90/88/96/356908896.db2.gz BVSYTVPBLJTLFO-AWEZNQCLSA-N 2 1 280.416 -0.023 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000631840035 356910612 /nfs/dbraw/zinc/91/06/12/356910612.db2.gz ORLQFOLCBIFRML-MRVWCRGKSA-N 2 1 296.415 -0.360 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000631840035 356910615 /nfs/dbraw/zinc/91/06/15/356910615.db2.gz ORLQFOLCBIFRML-MRVWCRGKSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000631838197 356911113 /nfs/dbraw/zinc/91/11/13/356911113.db2.gz KJYAFLJLCYBILB-UTUOFQBUSA-N 2 1 255.362 -0.192 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000631838197 356911116 /nfs/dbraw/zinc/91/11/16/356911116.db2.gz KJYAFLJLCYBILB-UTUOFQBUSA-N 2 1 255.362 -0.192 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000631848247 356912266 /nfs/dbraw/zinc/91/22/66/356912266.db2.gz QUNQGDJOLCSCCA-RYUDHWBXSA-N 2 1 252.362 -0.803 20 0 CBADMP CNC(=O)NC[C@H]1COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000631873912 356915337 /nfs/dbraw/zinc/91/53/37/356915337.db2.gz WLFAGIRBBJTKRU-RYUDHWBXSA-N 2 1 270.377 -0.384 20 0 CBADMP CNC(=O)NC[C@H]1COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000631873912 356915339 /nfs/dbraw/zinc/91/53/39/356915339.db2.gz WLFAGIRBBJTKRU-RYUDHWBXSA-N 2 1 270.377 -0.384 20 0 CBADMP O=C1CNC(=O)N1CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886491 356916457 /nfs/dbraw/zinc/91/64/57/356916457.db2.gz IGAWAITVFCPZMP-MNOVXSKESA-N 2 1 266.345 -0.388 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886491 356916462 /nfs/dbraw/zinc/91/64/62/356916462.db2.gz IGAWAITVFCPZMP-MNOVXSKESA-N 2 1 266.345 -0.388 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000631903557 356919452 /nfs/dbraw/zinc/91/94/52/356919452.db2.gz MBBLOQKORPHKAC-SNVBAGLBSA-N 2 1 261.391 -0.248 20 0 CBADMP C[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000631904404 356919947 /nfs/dbraw/zinc/91/99/47/356919947.db2.gz MNXKNUXLAAZXLA-QWRGUYRKSA-N 2 1 263.407 -0.050 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000631931528 356925111 /nfs/dbraw/zinc/92/51/11/356925111.db2.gz KPRFNUNCWOVCRZ-JTQLQIEISA-N 2 1 261.391 -0.263 20 0 CBADMP CC[NH2+][C@H](C)CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631933835 356927495 /nfs/dbraw/zinc/92/74/95/356927495.db2.gz KNAJLPQRFMNLGU-SNVBAGLBSA-N 2 1 263.407 -0.002 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000632001014 356941140 /nfs/dbraw/zinc/94/11/40/356941140.db2.gz DRYFQRVNZOYPPZ-UHFFFAOYSA-N 2 1 293.433 -0.732 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000632001014 356941143 /nfs/dbraw/zinc/94/11/43/356941143.db2.gz DRYFQRVNZOYPPZ-UHFFFAOYSA-N 2 1 293.433 -0.732 20 0 CBADMP COCC[N@H+]1CC[C@H](NS(=O)(=O)CCC[NH+](C)C)C1 ZINC000632255456 356964540 /nfs/dbraw/zinc/96/45/40/356964540.db2.gz TUVMLXVHZDHWLX-LBPRGKRZSA-N 2 1 293.433 -0.422 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000632472637 356993024 /nfs/dbraw/zinc/99/30/24/356993024.db2.gz AVAGAZWMKSNMSK-OUCADQQQSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000632472637 356993027 /nfs/dbraw/zinc/99/30/27/356993027.db2.gz AVAGAZWMKSNMSK-OUCADQQQSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000632472637 356993028 /nfs/dbraw/zinc/99/30/28/356993028.db2.gz AVAGAZWMKSNMSK-OUCADQQQSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000632472638 356993220 /nfs/dbraw/zinc/99/32/20/356993220.db2.gz AVAGAZWMKSNMSK-SCRDCRAPSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000632472638 356993225 /nfs/dbraw/zinc/99/32/25/356993225.db2.gz AVAGAZWMKSNMSK-SCRDCRAPSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000632472638 356993227 /nfs/dbraw/zinc/99/32/27/356993227.db2.gz AVAGAZWMKSNMSK-SCRDCRAPSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633078145 357040719 /nfs/dbraw/zinc/04/07/19/357040719.db2.gz HZCCAGGAMSZYDS-BETUJISGSA-N 2 1 294.399 -0.497 20 0 CBADMP 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 357044666 /nfs/dbraw/zinc/04/46/66/357044666.db2.gz UVGCQVCAZJKCBK-CYDGBPFRSA-N 2 1 294.399 -0.500 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000633112202 357048222 /nfs/dbraw/zinc/04/82/22/357048222.db2.gz BSBHDMSDZMTWJB-FVCCEPFGSA-N 2 1 296.415 -0.409 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000633112202 357048224 /nfs/dbraw/zinc/04/82/24/357048224.db2.gz BSBHDMSDZMTWJB-FVCCEPFGSA-N 2 1 296.415 -0.409 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H](C)[N@H+]1C ZINC000633113428 357048765 /nfs/dbraw/zinc/04/87/65/357048765.db2.gz HTCCFDAICDRHNZ-USZNOCQGSA-N 2 1 280.372 -0.890 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H](C)[N@@H+]1C ZINC000633113428 357048767 /nfs/dbraw/zinc/04/87/67/357048767.db2.gz HTCCFDAICDRHNZ-USZNOCQGSA-N 2 1 280.372 -0.890 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000633117206 357050067 /nfs/dbraw/zinc/05/00/67/357050067.db2.gz AWHNWZOSWYDVAO-MNOVXSKESA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000633117092 357050211 /nfs/dbraw/zinc/05/02/11/357050211.db2.gz ZAXYSLLJPMUJAT-WCQYABFASA-N 2 1 294.399 -0.511 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)C1 ZINC000633150579 357052774 /nfs/dbraw/zinc/05/27/74/357052774.db2.gz ZWRAWSADCBQMAP-AGIUHOORSA-N 2 1 296.415 -0.265 20 0 CBADMP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000634753074 357133475 /nfs/dbraw/zinc/13/34/75/357133475.db2.gz XZCHFPBXSLOLLQ-WDEREUQCSA-N 2 1 255.362 -0.131 20 0 CBADMP C[C@H](C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2)N1CC[NH+](C)CC1 ZINC000634768355 357134454 /nfs/dbraw/zinc/13/44/54/357134454.db2.gz GQAYEDUAGJJXMB-NFAWXSAZSA-N 2 1 280.416 -0.119 20 0 CBADMP O=C1C[NH2+]CCN1[C@@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634994234 357142111 /nfs/dbraw/zinc/14/21/11/357142111.db2.gz WJAHIUXUMUWQSF-JVWICGRDSA-N 2 1 278.400 -0.365 20 0 CBADMP C[NH2+]C[C@H](O)CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719886 357129030 /nfs/dbraw/zinc/12/90/30/357129030.db2.gz AXNGGKZWSARGQH-HOTGVXAUSA-N 2 1 293.411 -0.207 20 0 CBADMP C[C@@H](O)[C@@H](CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719351 357129396 /nfs/dbraw/zinc/12/93/96/357129396.db2.gz SHGFEXARXDOSAP-BMFZPTHFSA-N 2 1 294.395 -0.045 20 0 CBADMP C[C@@H](O)[C@@H](CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719351 357129397 /nfs/dbraw/zinc/12/93/97/357129397.db2.gz SHGFEXARXDOSAP-BMFZPTHFSA-N 2 1 294.395 -0.045 20 0 CBADMP C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC000635704535 357195094 /nfs/dbraw/zinc/19/50/94/357195094.db2.gz WAGPRNNMTKBYKN-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000635801221 357210123 /nfs/dbraw/zinc/21/01/23/357210123.db2.gz HHLNZCGMWCJLMR-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000635801221 357210125 /nfs/dbraw/zinc/21/01/25/357210125.db2.gz HHLNZCGMWCJLMR-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000635801221 357210127 /nfs/dbraw/zinc/21/01/27/357210127.db2.gz HHLNZCGMWCJLMR-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCO ZINC000635823519 357213121 /nfs/dbraw/zinc/21/31/21/357213121.db2.gz OYAXEYRYUBLSOM-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCO ZINC000635823519 357213124 /nfs/dbraw/zinc/21/31/24/357213124.db2.gz OYAXEYRYUBLSOM-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCO ZINC000635823519 357213126 /nfs/dbraw/zinc/21/31/26/357213126.db2.gz OYAXEYRYUBLSOM-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCO ZINC000635823519 357213130 /nfs/dbraw/zinc/21/31/30/357213130.db2.gz OYAXEYRYUBLSOM-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000635928429 357234149 /nfs/dbraw/zinc/23/41/49/357234149.db2.gz GHXHJHYGGWPXIK-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000635928429 357234155 /nfs/dbraw/zinc/23/41/55/357234155.db2.gz GHXHJHYGGWPXIK-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000635928429 357234158 /nfs/dbraw/zinc/23/41/58/357234158.db2.gz GHXHJHYGGWPXIK-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000635928435 357234978 /nfs/dbraw/zinc/23/49/78/357234978.db2.gz GKHVCKKXIWMIMT-CHWSQXEVSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000635928456 357235208 /nfs/dbraw/zinc/23/52/08/357235208.db2.gz GPFUKRFWVZOCBB-IJLUTSLNSA-N 2 1 255.362 -0.396 20 0 CBADMP C[C@H](C(=O)N1CC(C[NH+]2CCOCC2)C1)[NH+](C)C ZINC000635949571 357238153 /nfs/dbraw/zinc/23/81/53/357238153.db2.gz IEULTGFGBXYQED-LLVKDONJSA-N 2 1 255.362 -0.273 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000636645217 357295351 /nfs/dbraw/zinc/29/53/51/357295351.db2.gz NSIRXJVMMQXLSI-RYUDHWBXSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636645217 357295354 /nfs/dbraw/zinc/29/53/54/357295354.db2.gz NSIRXJVMMQXLSI-RYUDHWBXSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636645217 357295358 /nfs/dbraw/zinc/29/53/58/357295358.db2.gz NSIRXJVMMQXLSI-RYUDHWBXSA-N 2 1 270.377 -0.554 20 0 CBADMP CC[N@@H+](CCNC(=O)NCC[NH+]1CC[C@H](O)C1)C1CC1 ZINC000636716831 357297434 /nfs/dbraw/zinc/29/74/34/357297434.db2.gz WPFJLBRTBKWXAN-ZDUSSCGKSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[NH+](CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000636716831 357297439 /nfs/dbraw/zinc/29/74/39/357297439.db2.gz WPFJLBRTBKWXAN-ZDUSSCGKSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[NH+](CCNC(=O)NCC[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000636716831 357297444 /nfs/dbraw/zinc/29/74/44/357297444.db2.gz WPFJLBRTBKWXAN-ZDUSSCGKSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CCO)[NH+](C)C ZINC000635976765 357243529 /nfs/dbraw/zinc/24/35/29/357243529.db2.gz MVSKBAWZZRDCGE-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1=O ZINC000636120159 357264641 /nfs/dbraw/zinc/26/46/41/357264641.db2.gz NJDONTLHFDUGKP-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000636125566 357266164 /nfs/dbraw/zinc/26/61/64/357266164.db2.gz PGDRHTAUOVFRCR-WCQYABFASA-N 2 1 267.373 -0.394 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000636125566 357266168 /nfs/dbraw/zinc/26/61/68/357266168.db2.gz PGDRHTAUOVFRCR-WCQYABFASA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000636125566 357266172 /nfs/dbraw/zinc/26/61/72/357266172.db2.gz PGDRHTAUOVFRCR-WCQYABFASA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000636125566 357266175 /nfs/dbraw/zinc/26/61/75/357266175.db2.gz PGDRHTAUOVFRCR-WCQYABFASA-N 2 1 267.373 -0.394 20 0 CBADMP CN1CCOC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636278937 357275689 /nfs/dbraw/zinc/27/56/89/357275689.db2.gz CHVQUOZPLQDEQI-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000637811962 357369273 /nfs/dbraw/zinc/36/92/73/357369273.db2.gz UCMDZMNLFMTBRM-LBPRGKRZSA-N 2 1 254.378 -0.508 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH3+])C1 ZINC000637822387 357371330 /nfs/dbraw/zinc/37/13/30/357371330.db2.gz KGBKZQLKHHTPOY-CYBMUJFWSA-N 2 1 287.404 -0.222 20 0 CBADMP CC[N@@H+]1C[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000636912585 357311715 /nfs/dbraw/zinc/31/17/15/357311715.db2.gz KGWXIQCNNNCLRY-XQQFMLRXSA-N 2 1 284.404 -0.308 20 0 CBADMP CC[NH+]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000636912585 357311717 /nfs/dbraw/zinc/31/17/17/357311717.db2.gz KGWXIQCNNNCLRY-XQQFMLRXSA-N 2 1 284.404 -0.308 20 0 CBADMP CC[NH+]1C[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000636912585 357311719 /nfs/dbraw/zinc/31/17/19/357311719.db2.gz KGWXIQCNNNCLRY-XQQFMLRXSA-N 2 1 284.404 -0.308 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1C ZINC000637039220 357319072 /nfs/dbraw/zinc/31/90/72/357319072.db2.gz SSLCZOZANMPMAB-AWEZNQCLSA-N 2 1 297.447 -0.127 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000637157299 357327042 /nfs/dbraw/zinc/32/70/42/357327042.db2.gz SNPIRDBTCNZAHV-GHMZBOCLSA-N 2 1 293.371 -0.367 20 0 CBADMP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000637157299 357327046 /nfs/dbraw/zinc/32/70/46/357327046.db2.gz SNPIRDBTCNZAHV-GHMZBOCLSA-N 2 1 293.371 -0.367 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000637157299 357327049 /nfs/dbraw/zinc/32/70/49/357327049.db2.gz SNPIRDBTCNZAHV-GHMZBOCLSA-N 2 1 293.371 -0.367 20 0 CBADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+](C)C ZINC000637196708 357329832 /nfs/dbraw/zinc/32/98/32/357329832.db2.gz VRUFEJRYATUPDV-RYUDHWBXSA-N 2 1 299.419 -0.425 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000637863873 357378366 /nfs/dbraw/zinc/37/83/66/357378366.db2.gz IZSRYWGUXQSONA-NSHDSACASA-N 2 1 251.334 -0.707 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000637798958 357365113 /nfs/dbraw/zinc/36/51/13/357365113.db2.gz RJBHSADQFZYSAB-ZDUSSCGKSA-N 2 1 268.405 -0.118 20 0 CBADMP CC1(C)CN(C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1CCO ZINC000637808706 357367434 /nfs/dbraw/zinc/36/74/34/357367434.db2.gz CHBSAPLSOLQPBE-NSHDSACASA-N 2 1 270.377 -0.554 20 0 CBADMP CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000637809226 357368052 /nfs/dbraw/zinc/36/80/52/357368052.db2.gz NJZFPHWJKDBXNH-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000637811332 357368356 /nfs/dbraw/zinc/36/83/56/357368356.db2.gz SEKRJYZDXZYVOB-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP [NH3+]C[C@@]1(C(=O)NCCC[NH+]2CCOCC2)CCCOC1 ZINC000638048547 357405469 /nfs/dbraw/zinc/40/54/69/357405469.db2.gz RTOLCGTXXAHXEO-AWEZNQCLSA-N 2 1 285.388 -0.420 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638058538 357407769 /nfs/dbraw/zinc/40/77/69/357407769.db2.gz QWOILWLWLYMVJI-HIFRSBDPSA-N 2 1 299.415 -0.162 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638060358 357407823 /nfs/dbraw/zinc/40/78/23/357407823.db2.gz UJEIABGVNBSKHM-CYBMUJFWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@]2(C)C[NH2+]CCO2)C[C@H](C)O1 ZINC000638060526 357407879 /nfs/dbraw/zinc/40/78/79/357407879.db2.gz NAOORPLKXBXGSQ-GUTXKFCHSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@]1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000638071520 357409865 /nfs/dbraw/zinc/40/98/65/357409865.db2.gz GEDPIDBLKHREGM-BXUZGUMPSA-N 2 1 267.373 -0.035 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)CN1CC[NH2+]CC1 ZINC000638070921 357409975 /nfs/dbraw/zinc/40/99/75/357409975.db2.gz YAVFFACIORYHSB-UHFFFAOYSA-N 2 1 265.361 -0.397 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638071418 357410177 /nfs/dbraw/zinc/41/01/77/357410177.db2.gz JJSWFGRZCHXCIX-AWEZNQCLSA-N 2 1 287.404 -0.174 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638071664 357411295 /nfs/dbraw/zinc/41/12/95/357411295.db2.gz HDVNZHPQXFVIQC-AAEUAGOBSA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638078719 357412691 /nfs/dbraw/zinc/41/26/91/357412691.db2.gz MTNVFVVVZHPYNJ-YPMHNXCESA-N 2 1 255.362 -0.048 20 0 CBADMP [NH3+]Cc1ncc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000638085033 357413508 /nfs/dbraw/zinc/41/35/08/357413508.db2.gz NSXFRJWIOCMUAW-SNVBAGLBSA-N 2 1 261.329 -0.098 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000638090685 357414714 /nfs/dbraw/zinc/41/47/14/357414714.db2.gz KHEKLHGSDSQUAP-IPYPFGDCSA-N 2 1 299.415 -0.162 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638098194 357416011 /nfs/dbraw/zinc/41/60/11/357416011.db2.gz FBXYNOOWPYFJRG-SDDRHHMPSA-N 2 1 271.361 -0.670 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)C1 ZINC000638098785 357417279 /nfs/dbraw/zinc/41/72/79/357417279.db2.gz CQDRVHOZIXMFFS-SCRDCRAPSA-N 2 1 285.388 -0.410 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000638102870 357417943 /nfs/dbraw/zinc/41/79/43/357417943.db2.gz XGCOMVDZRKXEMH-ZDUSSCGKSA-N 2 1 268.405 -0.118 20 0 CBADMP C[C@]1(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[NH2+]CCO1 ZINC000638104374 357418552 /nfs/dbraw/zinc/41/85/52/357418552.db2.gz YYDFKKMVNHMZBX-UMVBOHGHSA-N 2 1 297.399 -0.578 20 0 CBADMP C[C@]1(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[NH2+]CCO1 ZINC000638104375 357418626 /nfs/dbraw/zinc/41/86/26/357418626.db2.gz YYDFKKMVNHMZBX-VNHYZAJKSA-N 2 1 297.399 -0.578 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638102065 357418648 /nfs/dbraw/zinc/41/86/48/357418648.db2.gz XJVZOWRBISDELL-DZGCQCFKSA-N 2 1 299.415 -0.031 20 0 CBADMP C[C@H]1C[C@H](N(C)C(=O)CN2CC[NH2+]CC2)CC[N@H+]1C ZINC000638124314 357422253 /nfs/dbraw/zinc/42/22/53/357422253.db2.gz SKXFZUJCGTWOOW-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638127373 357423065 /nfs/dbraw/zinc/42/30/65/357423065.db2.gz VKHUPAOFVLHBCK-YPMHNXCESA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)O1 ZINC000638247856 357442997 /nfs/dbraw/zinc/44/29/97/357442997.db2.gz PKPSALKBDQFLSH-MROQNXINSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)O1 ZINC000638247856 357443001 /nfs/dbraw/zinc/44/30/01/357443001.db2.gz PKPSALKBDQFLSH-MROQNXINSA-N 2 1 267.373 -0.084 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NCC1C[NH2+]C1 ZINC000638154164 357426874 /nfs/dbraw/zinc/42/68/74/357426874.db2.gz RRWPKFFPQHSKAV-AWEZNQCLSA-N 2 1 276.384 -0.219 20 0 CBADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NCC1C[NH2+]C1 ZINC000638154164 357426878 /nfs/dbraw/zinc/42/68/78/357426878.db2.gz RRWPKFFPQHSKAV-AWEZNQCLSA-N 2 1 276.384 -0.219 20 0 CBADMP CC1(C)CN(C(=O)N[C@H](C[NH3+])C2CC2)CC[N@H+]1CCO ZINC000638164112 357429187 /nfs/dbraw/zinc/42/91/87/357429187.db2.gz BDRLUEKVMHPNKZ-GFCCVEGCSA-N 2 1 284.404 -0.178 20 0 CBADMP O=C(CCC1C[NH2+]C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000638173803 357431152 /nfs/dbraw/zinc/43/11/52/357431152.db2.gz KLIMJHNTLROHPA-ZDUSSCGKSA-N 2 1 294.399 -0.591 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)O1 ZINC000638203997 357433825 /nfs/dbraw/zinc/43/38/25/357433825.db2.gz IADAGONSPNEIHZ-NOOOWODRSA-N 2 1 255.362 -0.086 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)O1 ZINC000638203997 357433828 /nfs/dbraw/zinc/43/38/28/357433828.db2.gz IADAGONSPNEIHZ-NOOOWODRSA-N 2 1 255.362 -0.086 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)O1 ZINC000638226410 357437163 /nfs/dbraw/zinc/43/71/63/357437163.db2.gz GDLWZGGTVMVILE-MGPQQGTHSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)O1 ZINC000638226410 357437166 /nfs/dbraw/zinc/43/71/66/357437166.db2.gz GDLWZGGTVMVILE-MGPQQGTHSA-N 2 1 296.415 -0.788 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[N@H+]1C ZINC000637864028 357378781 /nfs/dbraw/zinc/37/87/81/357378781.db2.gz KLTVCFYWXYXYRH-RWMBFGLXSA-N 2 1 268.405 -0.182 20 0 CBADMP CN1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](C[NH3+])C1 ZINC000637866348 357379184 /nfs/dbraw/zinc/37/91/84/357379184.db2.gz KXRNSONKKJYAQN-RYUDHWBXSA-N 2 1 254.378 -0.571 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638571388 357495511 /nfs/dbraw/zinc/49/55/11/357495511.db2.gz PQRSZMWJFKLSGD-STQMWFEESA-N 2 1 296.415 -0.168 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000638591544 357499552 /nfs/dbraw/zinc/49/95/52/357499552.db2.gz IVLCXZFAZCGBNX-LLVKDONJSA-N 2 1 295.387 -0.205 20 0 CBADMP [NH3+][C@@H]1CC=C(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000638295102 357453122 /nfs/dbraw/zinc/45/31/22/357453122.db2.gz SUTAHBYYTJPRKR-GFCCVEGCSA-N 2 1 253.346 -0.128 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000638417462 357471992 /nfs/dbraw/zinc/47/19/92/357471992.db2.gz HTNGICHBFDCRQH-UHFFFAOYSA-N 2 1 299.415 -0.079 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000638426606 357474258 /nfs/dbraw/zinc/47/42/58/357474258.db2.gz SNWJBHSGKSCUIA-VNHYZAJKSA-N 2 1 296.415 -0.741 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000638426603 357474393 /nfs/dbraw/zinc/47/43/93/357474393.db2.gz SNWJBHSGKSCUIA-IPYPFGDCSA-N 2 1 296.415 -0.741 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000638633809 357513444 /nfs/dbraw/zinc/51/34/44/357513444.db2.gz HKVGBYQAHRVOLH-LLVKDONJSA-N 2 1 271.361 -0.669 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000638633809 357513445 /nfs/dbraw/zinc/51/34/45/357513445.db2.gz HKVGBYQAHRVOLH-LLVKDONJSA-N 2 1 271.361 -0.669 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCOCC[NH3+])C1 ZINC000638674105 357518986 /nfs/dbraw/zinc/51/89/86/357518986.db2.gz FIEQQMICPCGLOF-LLVKDONJSA-N 2 1 259.350 -0.859 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CCOCC[NH3+])C1 ZINC000638674105 357518993 /nfs/dbraw/zinc/51/89/93/357518993.db2.gz FIEQQMICPCGLOF-LLVKDONJSA-N 2 1 259.350 -0.859 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638729147 357526380 /nfs/dbraw/zinc/52/63/80/357526380.db2.gz YPBFQYQNAMEOLA-GVXVVHGQSA-N 2 1 253.346 -0.567 20 0 CBADMP C[C@H](C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000638929533 357544960 /nfs/dbraw/zinc/54/49/60/357544960.db2.gz BWYINRWIBRLVAQ-TUAOUCFPSA-N 2 1 254.378 -0.430 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638984779 357548700 /nfs/dbraw/zinc/54/87/00/357548700.db2.gz RDNGOIPZNVWSNO-LBPRGKRZSA-N 2 1 293.371 -0.207 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000639114149 357558392 /nfs/dbraw/zinc/55/83/92/357558392.db2.gz KRKPNLBQMDDVMR-NSHDSACASA-N 2 1 272.393 -0.321 20 0 CBADMP CO[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@](C)(CO)C1 ZINC000640002845 357627833 /nfs/dbraw/zinc/62/78/33/357627833.db2.gz ZTZJDXSRBPCRNI-HIFRSBDPSA-N 2 1 299.415 -0.378 20 0 CBADMP CO[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@](C)(CO)C1 ZINC000640002845 357627835 /nfs/dbraw/zinc/62/78/35/357627835.db2.gz ZTZJDXSRBPCRNI-HIFRSBDPSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)N3CCNC3=O)C2)CC1 ZINC000639760405 357595259 /nfs/dbraw/zinc/59/52/59/357595259.db2.gz XAUNXPFGMJOFSQ-UHFFFAOYSA-N 2 1 280.372 -0.044 20 0 CBADMP CNC(=O)CCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762117 357595726 /nfs/dbraw/zinc/59/57/26/357595726.db2.gz GMDYCRFVTIGJOW-CYBMUJFWSA-N 2 1 257.378 -0.099 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@H]1CO ZINC000639868206 357613881 /nfs/dbraw/zinc/61/38/81/357613881.db2.gz SOEHRJILLQNHAG-STQMWFEESA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@H]1CO ZINC000639868206 357613883 /nfs/dbraw/zinc/61/38/83/357613883.db2.gz SOEHRJILLQNHAG-STQMWFEESA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@H+](C)C[C@H]1CO ZINC000639868206 357613886 /nfs/dbraw/zinc/61/38/86/357613886.db2.gz SOEHRJILLQNHAG-STQMWFEESA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@@H+](C)C[C@H]1CO ZINC000639868206 357613891 /nfs/dbraw/zinc/61/38/91/357613891.db2.gz SOEHRJILLQNHAG-STQMWFEESA-N 2 1 259.394 -0.704 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)C1CC1 ZINC000639944771 357620394 /nfs/dbraw/zinc/62/03/94/357620394.db2.gz OXZLUSBGSXCTRJ-DFBGVHRSSA-N 2 1 295.383 -0.574 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)C1CC1 ZINC000639944771 357620396 /nfs/dbraw/zinc/62/03/96/357620396.db2.gz OXZLUSBGSXCTRJ-DFBGVHRSSA-N 2 1 295.383 -0.574 20 0 CBADMP C[NH+](C[C@@H](O)C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)C1CC1 ZINC000639944771 357620398 /nfs/dbraw/zinc/62/03/98/357620398.db2.gz OXZLUSBGSXCTRJ-DFBGVHRSSA-N 2 1 295.383 -0.574 20 0 CBADMP C[NH+](C[C@@H](O)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)C1CC1 ZINC000639944771 357620400 /nfs/dbraw/zinc/62/04/00/357620400.db2.gz OXZLUSBGSXCTRJ-DFBGVHRSSA-N 2 1 295.383 -0.574 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)n2cc(CC[NH3+])nn2)CC1 ZINC000640830592 357666272 /nfs/dbraw/zinc/66/62/72/357666272.db2.gz KWOWYBAOPLARNE-LLVKDONJSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000641493513 357712889 /nfs/dbraw/zinc/71/28/89/357712889.db2.gz NUXIRXXJYMJLSA-GHMZBOCLSA-N 2 1 272.393 -0.180 20 0 CBADMP C[NH+](C)CCc1cn(C[C@H](O)C[N@@H+](C)C2CC2)nn1 ZINC000641222733 357683133 /nfs/dbraw/zinc/68/31/33/357683133.db2.gz CXMLQHNFBCLKOM-CYBMUJFWSA-N 2 1 267.377 -0.163 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000641425015 357704138 /nfs/dbraw/zinc/70/41/38/357704138.db2.gz NHZOMNLOUUOJKA-GFCCVEGCSA-N 2 1 273.425 -0.142 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000641425015 357704145 /nfs/dbraw/zinc/70/41/45/357704145.db2.gz NHZOMNLOUUOJKA-GFCCVEGCSA-N 2 1 273.425 -0.142 20 0 CBADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)N(C)CC(=O)NC1CC1 ZINC000641803821 357743795 /nfs/dbraw/zinc/74/37/95/357743795.db2.gz IBDPNHGCHJTIHK-MVWJERBFSA-N 2 1 296.415 -0.173 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641824442 357746332 /nfs/dbraw/zinc/74/63/32/357746332.db2.gz JLSHZNBCFCFJCR-UHFFFAOYSA-N 2 1 270.377 -0.654 20 0 CBADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641825940 357746558 /nfs/dbraw/zinc/74/65/58/357746558.db2.gz ZVMJSEBRVPZCSJ-UHFFFAOYSA-N 2 1 298.431 -0.018 20 0 CBADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641825940 357746560 /nfs/dbraw/zinc/74/65/60/357746560.db2.gz ZVMJSEBRVPZCSJ-UHFFFAOYSA-N 2 1 298.431 -0.018 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1(C)C ZINC000641825847 357746618 /nfs/dbraw/zinc/74/66/18/357746618.db2.gz XLRLWCVTOZZKSM-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1(C)C ZINC000641825847 357746619 /nfs/dbraw/zinc/74/66/19/357746619.db2.gz XLRLWCVTOZZKSM-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP CC1(C)CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@H+]1CCO ZINC000641911505 357748506 /nfs/dbraw/zinc/74/85/06/357748506.db2.gz JBYVRMXOHYOQHT-GDNZZTSVSA-N 2 1 282.388 -0.698 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CC1 ZINC000642403969 357754488 /nfs/dbraw/zinc/75/44/88/357754488.db2.gz NXWRAQGXFANTLK-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000642640203 357757126 /nfs/dbraw/zinc/75/71/26/357757126.db2.gz OTBZRMDSQYUITL-OLZOCXBDSA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000642718200 357759704 /nfs/dbraw/zinc/75/97/04/357759704.db2.gz SYTYYAOASWUPIH-TUAOUCFPSA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642718723 357759716 /nfs/dbraw/zinc/75/97/16/357759716.db2.gz JVPGOSNJAWPHJP-ZWNOBZJWSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000642732140 357760302 /nfs/dbraw/zinc/76/03/02/357760302.db2.gz FCCHEUXBPOHERP-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785713 357761952 /nfs/dbraw/zinc/76/19/52/357761952.db2.gz DUZUKLQXRWKTSB-STQMWFEESA-N 2 1 296.415 -0.314 20 0 CBADMP [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000642785648 357762065 /nfs/dbraw/zinc/76/20/65/357762065.db2.gz AXYPCGJEWJNUGQ-CHWSQXEVSA-N 2 1 294.399 -0.560 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH2+]CC1 ZINC000642785928 357762435 /nfs/dbraw/zinc/76/24/35/357762435.db2.gz RCNPPEPJRRANFB-LBPRGKRZSA-N 2 1 280.372 -0.981 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785688 357762491 /nfs/dbraw/zinc/76/24/91/357762491.db2.gz DKWDNCCFRQVODG-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000642785799 357762509 /nfs/dbraw/zinc/76/25/09/357762509.db2.gz LLHHEJDQVQMKNJ-QWHCGFSZSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000642793880 357763445 /nfs/dbraw/zinc/76/34/45/357763445.db2.gz BBLZQBBOLUXHMM-JTQLQIEISA-N 2 1 270.377 -0.560 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCC1 ZINC000642887381 357764422 /nfs/dbraw/zinc/76/44/22/357764422.db2.gz PHAFHSAZWCHIBY-VXGBXAGGSA-N 2 1 294.399 -0.273 20 0 CBADMP [NH3+][C@@H](CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C1CC1 ZINC000642899067 357765567 /nfs/dbraw/zinc/76/55/67/357765567.db2.gz RVWQYAPXHUMHGH-OLZOCXBDSA-N 2 1 294.399 -0.463 20 0 CBADMP [NH3+][C@@H](CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)C1CC1 ZINC000642899067 357765570 /nfs/dbraw/zinc/76/55/70/357765570.db2.gz RVWQYAPXHUMHGH-OLZOCXBDSA-N 2 1 294.399 -0.463 20 0 CBADMP [NH3+][C@H](CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C1CC1 ZINC000642899066 357765812 /nfs/dbraw/zinc/76/58/12/357765812.db2.gz RVWQYAPXHUMHGH-CHWSQXEVSA-N 2 1 294.399 -0.463 20 0 CBADMP [NH3+][C@H](CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)C1CC1 ZINC000642899066 357765816 /nfs/dbraw/zinc/76/58/16/357765816.db2.gz RVWQYAPXHUMHGH-CHWSQXEVSA-N 2 1 294.399 -0.463 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000642908929 357767229 /nfs/dbraw/zinc/76/72/29/357767229.db2.gz BTOYNYYJLZMTLQ-GHMZBOCLSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC[N@H+]1C ZINC000642908929 357767234 /nfs/dbraw/zinc/76/72/34/357767234.db2.gz BTOYNYYJLZMTLQ-GHMZBOCLSA-N 2 1 270.377 -0.752 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642910829 357768174 /nfs/dbraw/zinc/76/81/74/357768174.db2.gz PBZXQMPEJDLSAL-UTUOFQBUSA-N 2 1 282.388 -0.465 20 0 CBADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC2 ZINC000642911240 357768287 /nfs/dbraw/zinc/76/82/87/357768287.db2.gz ZLSVLJJCEXTXOO-UPJWGTAASA-N 2 1 296.415 -0.077 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918157 357769449 /nfs/dbraw/zinc/76/94/49/357769449.db2.gz OYDKMTMGDBKMGL-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)[C@H]2C1 ZINC000642919384 357770380 /nfs/dbraw/zinc/77/03/80/357770380.db2.gz YQVHLXGCAPKKDN-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)CC[N@@H+]1C ZINC000642918762 357770497 /nfs/dbraw/zinc/77/04/97/357770497.db2.gz AVXSVZUGFFKBNR-CYBMUJFWSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)CC[N@H+]1C ZINC000642918762 357770501 /nfs/dbraw/zinc/77/05/01/357770501.db2.gz AVXSVZUGFFKBNR-CYBMUJFWSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919746 357770586 /nfs/dbraw/zinc/77/05/86/357770586.db2.gz FMYFWMXWVJYONF-GFCCVEGCSA-N 2 1 282.388 -0.545 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000642956703 357773883 /nfs/dbraw/zinc/77/38/83/357773883.db2.gz NHJZNAJNCJZBJE-AGIUHOORSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000642969732 357773907 /nfs/dbraw/zinc/77/39/07/357773907.db2.gz SCFSDMUMWLMUIU-STQMWFEESA-N 2 1 296.415 -0.170 20 0 CBADMP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000642960485 357773971 /nfs/dbraw/zinc/77/39/71/357773971.db2.gz WTCBRJPZPKZPOS-VXGBXAGGSA-N 2 1 280.372 -0.854 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000643471884 357784101 /nfs/dbraw/zinc/78/41/01/357784101.db2.gz NWWQRSBXMHBTND-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]1CC[NH2+]C[C@H]1NCC(=O)N1CC[NH+](C)CC1 ZINC000643472195 357784497 /nfs/dbraw/zinc/78/44/97/357784497.db2.gz GMVOQTAHBBAXII-NWDGAFQWSA-N 2 1 254.378 -0.652 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643484203 357785474 /nfs/dbraw/zinc/78/54/74/357785474.db2.gz HIKPRRSLERYARE-BETUJISGSA-N 2 1 294.399 -0.782 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000643592615 357790925 /nfs/dbraw/zinc/79/09/25/357790925.db2.gz JEFDIXDWPAZCBE-LLVKDONJSA-N 2 1 282.388 -0.511 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336598 283354589 /nfs/dbraw/zinc/35/45/89/283354589.db2.gz IXVYHFDFMLNHRN-QWRGUYRKSA-N 2 1 268.361 -0.237 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000424197047 291210702 /nfs/dbraw/zinc/21/07/02/291210702.db2.gz WAWWQOCWYOEJKZ-AGIUHOORSA-N 2 1 297.399 -0.423 20 0 CBADMP C[C@H](CO)[NH+](C)CC1(C[N@@H+](C)[C@H](C)CO)COC1 ZINC000342092176 216215212 /nfs/dbraw/zinc/21/52/12/216215212.db2.gz PWCJALFISUJUIZ-VXGBXAGGSA-N 2 1 260.378 -0.372 20 0 CBADMP C[C@H](CO)[NH+](C)CC1(C[N@H+](C)[C@H](C)CO)COC1 ZINC000342092176 216215214 /nfs/dbraw/zinc/21/52/14/216215214.db2.gz PWCJALFISUJUIZ-VXGBXAGGSA-N 2 1 260.378 -0.372 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000163222421 296025391 /nfs/dbraw/zinc/02/53/91/296025391.db2.gz SIQMEFKBZGEPHS-NXEZZACHSA-N 2 1 268.361 -0.014 20 0 CBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000342519957 216382519 /nfs/dbraw/zinc/38/25/19/216382519.db2.gz ZSIXJDVWWLSYEP-BFHYXJOUSA-N 2 1 282.432 -0.064 20 0 CBADMP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CSC[NH2+]1 ZINC000335662789 212380691 /nfs/dbraw/zinc/38/06/91/212380691.db2.gz KBCVPWDAYORRKM-RQJHMYQMSA-N 2 1 251.302 -0.238 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000574336222 335011744 /nfs/dbraw/zinc/01/17/44/335011744.db2.gz LOVHPYXBGVRDPB-ILXRZTDVSA-N 2 1 285.432 -0.049 20 0 CBADMP CC[C@@H](Cn1cncn1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000330835416 203293996 /nfs/dbraw/zinc/29/39/96/203293996.db2.gz WTBUOOYELDBHCU-RYUDHWBXSA-N 2 1 253.350 -0.287 20 0 CBADMP CC[C@@H](Cn1cncn1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000330835416 203293999 /nfs/dbraw/zinc/29/39/99/203293999.db2.gz WTBUOOYELDBHCU-RYUDHWBXSA-N 2 1 253.350 -0.287 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000331922954 204298405 /nfs/dbraw/zinc/29/84/05/204298405.db2.gz CIYIIHHZRLXDPD-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000344212848 217101020 /nfs/dbraw/zinc/10/10/20/217101020.db2.gz OFOKZHWPPADPRR-JHJVBQTASA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000344212848 217101022 /nfs/dbraw/zinc/10/10/22/217101022.db2.gz OFOKZHWPPADPRR-JHJVBQTASA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000344212848 217101024 /nfs/dbraw/zinc/10/10/24/217101024.db2.gz OFOKZHWPPADPRR-JHJVBQTASA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000344212848 217101026 /nfs/dbraw/zinc/10/10/26/217101026.db2.gz OFOKZHWPPADPRR-JHJVBQTASA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)CCOC2C[NH2+]C2)C[C@H]1C ZINC000348988563 296182956 /nfs/dbraw/zinc/18/29/56/296182956.db2.gz BAVJCBLPNDRYME-VXGBXAGGSA-N 2 1 285.388 -0.722 20 0 CBADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332558545 204796342 /nfs/dbraw/zinc/79/63/42/204796342.db2.gz OTXXNJIJAZLICK-NWDGAFQWSA-N 2 1 280.372 -0.839 20 0 CBADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C ZINC000344424847 217187186 /nfs/dbraw/zinc/18/71/86/217187186.db2.gz ZQBCVFMWDWDBLS-JHJVBQTASA-N 2 1 287.404 -0.164 20 0 CBADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000515351740 296185758 /nfs/dbraw/zinc/18/57/58/296185758.db2.gz VPWHOYYSTPVPCK-BREBYQMCSA-N 2 1 275.356 -0.080 20 0 CBADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000344471495 217201757 /nfs/dbraw/zinc/20/17/57/217201757.db2.gz JBUXXNLCEZVDBW-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000344471499 217202730 /nfs/dbraw/zinc/20/27/30/217202730.db2.gz JBUXXNLCEZVDBW-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237901067 189892808 /nfs/dbraw/zinc/89/28/08/189892808.db2.gz SWSZMBNTPJGPMA-ZDUSSCGKSA-N 2 1 263.341 -0.038 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237901067 189892809 /nfs/dbraw/zinc/89/28/09/189892809.db2.gz SWSZMBNTPJGPMA-ZDUSSCGKSA-N 2 1 263.341 -0.038 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000040462958 372759034 /nfs/dbraw/zinc/75/90/34/372759034.db2.gz KMXNHHVRKXTSSS-GFCCVEGCSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000353425123 220074790 /nfs/dbraw/zinc/07/47/90/220074790.db2.gz IRYQKPAZJGPJML-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000131786102 372798702 /nfs/dbraw/zinc/79/87/02/372798702.db2.gz KRFJAVGCYZBZPR-NXEZZACHSA-N 2 1 266.345 -0.747 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000131786102 372798705 /nfs/dbraw/zinc/79/87/05/372798705.db2.gz KRFJAVGCYZBZPR-NXEZZACHSA-N 2 1 266.345 -0.747 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000353444738 220085864 /nfs/dbraw/zinc/08/58/64/220085864.db2.gz VSUOMJSYERFJOP-CYBMUJFWSA-N 2 1 296.415 -0.086 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174723261 372832985 /nfs/dbraw/zinc/83/29/85/372832985.db2.gz KBXUDBJXSLGPMI-GFCCVEGCSA-N 2 1 299.419 -0.600 20 0 CBADMP C[N@@H+]1C[C@H]2CN(CCN3C(=O)NC(C)(C)C3=O)C[C@H]2C1 ZINC000193655319 372859789 /nfs/dbraw/zinc/85/97/89/372859789.db2.gz VFGWVJDWLWXTFL-PHIMTYICSA-N 2 1 280.372 -0.190 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000353473767 220103041 /nfs/dbraw/zinc/10/30/41/220103041.db2.gz VFMUCMUTWJYWAJ-QWRGUYRKSA-N 2 1 259.350 -0.813 20 0 CBADMP C[C@@]1(O)CCN(C[C@H](O)C[N@H+]2CC[C@](C)(O)C2)C1 ZINC000248731277 372892303 /nfs/dbraw/zinc/89/23/03/372892303.db2.gz KRDUYTLSYJUMED-CLLJXQQHSA-N 2 1 258.362 -0.739 20 0 CBADMP C[C@@]1(O)CC[N@@H+](C[C@H](O)CN2CC[C@](C)(O)C2)C1 ZINC000248731277 372892308 /nfs/dbraw/zinc/89/23/08/372892308.db2.gz KRDUYTLSYJUMED-CLLJXQQHSA-N 2 1 258.362 -0.739 20 0 CBADMP C[C@@]1(O)CC[N@H+](C[C@H](O)CN2CC[C@](C)(O)C2)C1 ZINC000248731277 372892312 /nfs/dbraw/zinc/89/23/12/372892312.db2.gz KRDUYTLSYJUMED-CLLJXQQHSA-N 2 1 258.362 -0.739 20 0 CBADMP [NH3+][C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CCC1 ZINC000333324913 205219968 /nfs/dbraw/zinc/21/99/68/205219968.db2.gz VCAGRARYLXYLHL-GXTWGEPZSA-N 2 1 294.399 -0.463 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](c3nnc[nH]3)C2)CC1 ZINC000333323530 205220800 /nfs/dbraw/zinc/22/08/00/205220800.db2.gz BKQFRUOISSDBGO-LBPRGKRZSA-N 2 1 292.387 -0.242 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](c3nnc[nH]3)C2)CC1 ZINC000333323530 205220805 /nfs/dbraw/zinc/22/08/05/205220805.db2.gz BKQFRUOISSDBGO-LBPRGKRZSA-N 2 1 292.387 -0.242 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C)CC1 ZINC000333358439 205250510 /nfs/dbraw/zinc/25/05/10/205250510.db2.gz WXUVAHIGOJRSGJ-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000333358436 205250950 /nfs/dbraw/zinc/25/09/50/205250950.db2.gz WXUVAHIGOJRSGJ-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[NH2+]CCO2)C[N@H+]1C1CC1 ZINC000333367109 205258498 /nfs/dbraw/zinc/25/84/98/205258498.db2.gz LXVWWDMXXANOPV-NQBHXWOUSA-N 2 1 282.388 -0.101 20 0 CBADMP C[NH2+][C@@H](C(=O)NCCC[N@H+](C)CCOC)c1cnn(C)c1 ZINC000285813692 372943053 /nfs/dbraw/zinc/94/30/53/372943053.db2.gz SDAAVPGWWDHWRZ-CYBMUJFWSA-N 2 1 297.403 -0.235 20 0 CBADMP C[NH2+][C@@H](C(=O)NCCC[N@@H+](C)CCOC)c1cnn(C)c1 ZINC000285813692 372943061 /nfs/dbraw/zinc/94/30/61/372943061.db2.gz SDAAVPGWWDHWRZ-CYBMUJFWSA-N 2 1 297.403 -0.235 20 0 CBADMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353505752 220122425 /nfs/dbraw/zinc/12/24/25/220122425.db2.gz YPHRGEDQSOSUQI-ZJUUUORDSA-N 2 1 256.350 -0.820 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353505752 220122427 /nfs/dbraw/zinc/12/24/27/220122427.db2.gz YPHRGEDQSOSUQI-ZJUUUORDSA-N 2 1 256.350 -0.820 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2([NH3+])CCC2)C[C@@H]1C ZINC000332490936 373005968 /nfs/dbraw/zinc/00/59/68/373005968.db2.gz RZRDMQNTWPCFRW-RYUDHWBXSA-N 2 1 284.404 -0.036 20 0 CBADMP O=C(NCC[NH+]1CCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000344744872 217298525 /nfs/dbraw/zinc/29/85/25/217298525.db2.gz TULASIKVIUBNLK-LBPRGKRZSA-N 2 1 252.362 -0.802 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C[N@H+]1C1CC1 ZINC000333365562 373009301 /nfs/dbraw/zinc/00/93/01/373009301.db2.gz LSWWUOQHRWOJFD-NEPJUHHUSA-N 2 1 294.399 -0.005 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000353538625 220143293 /nfs/dbraw/zinc/14/32/93/220143293.db2.gz XTSHZHQMVJFYTA-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333754586 373013326 /nfs/dbraw/zinc/01/33/26/373013326.db2.gz ZOBHVWQEGKDFPO-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000342982921 373048929 /nfs/dbraw/zinc/04/89/29/373048929.db2.gz IBOXPNPHCPFSTL-NTZNESFSSA-N 2 1 257.378 -0.387 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000333489728 205368794 /nfs/dbraw/zinc/36/87/94/205368794.db2.gz DCGPISAXVUDIAN-RWMBFGLXSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C[N@H+]1C1CC1 ZINC000346124550 373066249 /nfs/dbraw/zinc/06/62/49/373066249.db2.gz XPEZNIFTIYESMT-NWDGAFQWSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H](CO)[NH+](C)CC1(C[N@@H+](C)[C@@H](C)CO)COC1 ZINC000342092172 373044528 /nfs/dbraw/zinc/04/45/28/373044528.db2.gz PWCJALFISUJUIZ-RYUDHWBXSA-N 2 1 260.378 -0.372 20 0 CBADMP C[C@@H](CO)[NH+](C)CC1(C[N@H+](C)[C@@H](C)CO)COC1 ZINC000342092172 373044538 /nfs/dbraw/zinc/04/45/38/373044538.db2.gz PWCJALFISUJUIZ-RYUDHWBXSA-N 2 1 260.378 -0.372 20 0 CBADMP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000353557807 220155288 /nfs/dbraw/zinc/15/52/88/220155288.db2.gz CGGPHWJXBXMLFG-LBPRGKRZSA-N 2 1 284.404 -0.088 20 0 CBADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000353557807 220155290 /nfs/dbraw/zinc/15/52/90/220155290.db2.gz CGGPHWJXBXMLFG-LBPRGKRZSA-N 2 1 284.404 -0.088 20 0 CBADMP CCC[C@@](C)([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000353589341 373113173 /nfs/dbraw/zinc/11/31/73/373113173.db2.gz MDYKARZQBRRKPO-BXUZGUMPSA-N 2 1 284.404 -0.040 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000353559381 220158472 /nfs/dbraw/zinc/15/84/72/220158472.db2.gz FYENDLNIBZTLGL-CYBMUJFWSA-N 2 1 296.415 -0.040 20 0 CBADMP CC(C)C[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000353587485 220174475 /nfs/dbraw/zinc/17/44/75/220174475.db2.gz HCOPUKRDRNQZQZ-NEPJUHHUSA-N 2 1 284.404 -0.184 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000353579653 220169410 /nfs/dbraw/zinc/16/94/10/220169410.db2.gz LFSBSYSRSZLLBJ-NSHDSACASA-N 2 1 265.361 -0.198 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000353579653 220169412 /nfs/dbraw/zinc/16/94/12/220169412.db2.gz LFSBSYSRSZLLBJ-NSHDSACASA-N 2 1 265.361 -0.198 20 0 CBADMP CN(CCC[N@@H+](C)[C@@H]1COC[C@@H]1O)CC[NH+](C)C ZINC000361394841 373287447 /nfs/dbraw/zinc/28/74/47/373287447.db2.gz ITBJWMNBXGFJQF-OLZOCXBDSA-N 2 1 259.394 -0.439 20 0 CBADMP CN(CCC[N@@H+](C)[C@@H]1COC[C@H]1O)CC[NH+](C)C ZINC000361394840 373288210 /nfs/dbraw/zinc/28/82/10/373288210.db2.gz ITBJWMNBXGFJQF-CHWSQXEVSA-N 2 1 259.394 -0.439 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](O)C2(C)C)CC1 ZINC000361405413 373290072 /nfs/dbraw/zinc/29/00/72/373290072.db2.gz XFEDDWWSYNLJID-LBPRGKRZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](O)C2(C)C)CC1 ZINC000361405413 373290075 /nfs/dbraw/zinc/29/00/75/373290075.db2.gz XFEDDWWSYNLJID-LBPRGKRZSA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353597340 220182146 /nfs/dbraw/zinc/18/21/46/220182146.db2.gz LDOGYYCAASKQPP-NSHDSACASA-N 2 1 270.377 -0.573 20 0 CBADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353600085 220183968 /nfs/dbraw/zinc/18/39/68/220183968.db2.gz VZZFCUPVYXHABX-VXGBXAGGSA-N 2 1 284.404 -0.040 20 0 CBADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353600085 220183971 /nfs/dbraw/zinc/18/39/71/220183971.db2.gz VZZFCUPVYXHABX-VXGBXAGGSA-N 2 1 284.404 -0.040 20 0 CBADMP [NH3+]C[C@H]1CC[N@H+](CCn2nc3ccccn3c2=O)C1 ZINC000050247728 220194295 /nfs/dbraw/zinc/19/42/95/220194295.db2.gz OSEOKICKNBKXNM-LLVKDONJSA-N 2 1 261.329 -0.223 20 0 CBADMP [NH3+]C[C@H]1CC[N@@H+](CCn2nc3ccccn3c2=O)C1 ZINC000050247728 220194297 /nfs/dbraw/zinc/19/42/97/220194297.db2.gz OSEOKICKNBKXNM-LLVKDONJSA-N 2 1 261.329 -0.223 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000362768632 373446762 /nfs/dbraw/zinc/44/67/62/373446762.db2.gz FXMCQSAJGUSFBZ-OLZOCXBDSA-N 2 1 296.415 -0.536 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000362768632 373446766 /nfs/dbraw/zinc/44/67/66/373446766.db2.gz FXMCQSAJGUSFBZ-OLZOCXBDSA-N 2 1 296.415 -0.536 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000362836521 373451642 /nfs/dbraw/zinc/45/16/42/373451642.db2.gz HKXXRPKAMMPEOS-FRRDWIJNSA-N 2 1 269.389 -0.027 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000362883391 373458913 /nfs/dbraw/zinc/45/89/13/373458913.db2.gz QZLZFOMUPXAISL-MROQNXINSA-N 2 1 267.373 -0.275 20 0 CBADMP CCN1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1=O ZINC000391608068 373581313 /nfs/dbraw/zinc/58/13/13/373581313.db2.gz VPPUVARYCWTROP-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353640611 220213581 /nfs/dbraw/zinc/21/35/81/220213581.db2.gz BGYOUONUNVGVTC-NXEZZACHSA-N 2 1 256.350 -0.820 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353640611 220213586 /nfs/dbraw/zinc/21/35/86/220213586.db2.gz BGYOUONUNVGVTC-NXEZZACHSA-N 2 1 256.350 -0.820 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000375977983 373569294 /nfs/dbraw/zinc/56/92/94/373569294.db2.gz VKBWZYQPAFVEBW-JHJVBQTASA-N 2 1 283.372 -0.968 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000417443824 373628158 /nfs/dbraw/zinc/62/81/58/373628158.db2.gz AZZZUQNESUFRJH-RYUDHWBXSA-N 2 1 272.393 -0.057 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000423390073 373657715 /nfs/dbraw/zinc/65/77/15/373657715.db2.gz VRAQYGLXVIDGGV-STQMWFEESA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000423390073 373657721 /nfs/dbraw/zinc/65/77/21/373657721.db2.gz VRAQYGLXVIDGGV-STQMWFEESA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000418521990 373633485 /nfs/dbraw/zinc/63/34/85/373633485.db2.gz ITGAJQZDDQIMBY-UTUOFQBUSA-N 2 1 272.393 -0.180 20 0 CBADMP 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 373637718 /nfs/dbraw/zinc/63/77/18/373637718.db2.gz ADZFHLSGZASMAZ-FVCCEPFGSA-N 2 1 296.415 -0.206 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1CC1 ZINC000419525208 373637885 /nfs/dbraw/zinc/63/78/85/373637885.db2.gz RCFRVRQAQSQQFE-GFCCVEGCSA-N 2 1 282.388 -0.463 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419879216 373642886 /nfs/dbraw/zinc/64/28/86/373642886.db2.gz JUDSGNKEDNDLPC-NEPJUHHUSA-N 2 1 282.388 -0.737 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419879216 373642898 /nfs/dbraw/zinc/64/28/98/373642898.db2.gz JUDSGNKEDNDLPC-NEPJUHHUSA-N 2 1 282.388 -0.737 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419887256 373643597 /nfs/dbraw/zinc/64/35/97/373643597.db2.gz DEXKYOOSKYZYIP-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419959618 373643779 /nfs/dbraw/zinc/64/37/79/373643779.db2.gz RGSUBPQHSMWFSZ-VXGBXAGGSA-N 2 1 284.404 -0.504 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419959618 373643785 /nfs/dbraw/zinc/64/37/85/373643785.db2.gz RGSUBPQHSMWFSZ-VXGBXAGGSA-N 2 1 284.404 -0.504 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419894473 373644324 /nfs/dbraw/zinc/64/43/24/373644324.db2.gz RDZYQBKIOUEPAZ-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419894473 373644334 /nfs/dbraw/zinc/64/43/34/373644334.db2.gz RDZYQBKIOUEPAZ-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000420078028 373649186 /nfs/dbraw/zinc/64/91/86/373649186.db2.gz OGZUHJMDWQYSTM-NSHDSACASA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[N@H+]1C ZINC000420078028 373649192 /nfs/dbraw/zinc/64/91/92/373649192.db2.gz OGZUHJMDWQYSTM-NSHDSACASA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000420107254 373650014 /nfs/dbraw/zinc/65/00/14/373650014.db2.gz ASAFGJRSTJJNBC-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H]1C[C@@H](C)[N@H+](CCNS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000422635204 373652743 /nfs/dbraw/zinc/65/27/43/373652743.db2.gz LDHBOOYKNSTNKB-GMTAPVOTSA-N 2 1 263.407 -0.159 20 0 CBADMP C[C@@H]1C[C@@H](C)[N@@H+](CCNS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000422635204 373652754 /nfs/dbraw/zinc/65/27/54/373652754.db2.gz LDHBOOYKNSTNKB-GMTAPVOTSA-N 2 1 263.407 -0.159 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC[N@@H+]1C ZINC000423604184 373659167 /nfs/dbraw/zinc/65/91/67/373659167.db2.gz HWDHUYAYVUOSIV-STQMWFEESA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC[N@H+]1C ZINC000423604184 373659176 /nfs/dbraw/zinc/65/91/76/373659176.db2.gz HWDHUYAYVUOSIV-STQMWFEESA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423781385 373662193 /nfs/dbraw/zinc/66/21/93/373662193.db2.gz XPBOASFJDXVREZ-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000424044278 373662576 /nfs/dbraw/zinc/66/25/76/373662576.db2.gz INFWWPKDCUFEGY-YNEHKIRRSA-N 2 1 283.372 -0.705 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000424044278 373662591 /nfs/dbraw/zinc/66/25/91/373662591.db2.gz INFWWPKDCUFEGY-YNEHKIRRSA-N 2 1 283.372 -0.705 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000427291439 373668891 /nfs/dbraw/zinc/66/88/91/373668891.db2.gz GFWXDOHMNPGRLN-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000430724002 373673337 /nfs/dbraw/zinc/67/33/37/373673337.db2.gz UNWGGNOJHHXRSO-RWMBFGLXSA-N 2 1 285.388 -0.722 20 0 CBADMP [NH3+]CCC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000430748222 373675290 /nfs/dbraw/zinc/67/52/90/373675290.db2.gz PJCGVPNWMBRCQE-UHFFFAOYSA-N 2 1 282.388 -0.508 20 0 CBADMP [NH3+]CCC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000430748222 373675292 /nfs/dbraw/zinc/67/52/92/373675292.db2.gz PJCGVPNWMBRCQE-UHFFFAOYSA-N 2 1 282.388 -0.508 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000431004163 373675460 /nfs/dbraw/zinc/67/54/60/373675460.db2.gz INEGPWUNWICKKJ-OLZOCXBDSA-N 2 1 284.404 -0.883 20 0 CBADMP C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])CN1CC[NH+](C)CC1 ZINC000493945106 373738367 /nfs/dbraw/zinc/73/83/67/373738367.db2.gz NQIKPRPWUPNDNR-UPJWGTAASA-N 2 1 270.421 -0.031 20 0 CBADMP C[C@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])CN1CC[NH+](C)CC1 ZINC000493945104 373738540 /nfs/dbraw/zinc/73/85/40/373738540.db2.gz NQIKPRPWUPNDNR-FRRDWIJNSA-N 2 1 270.421 -0.031 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000514596462 373755382 /nfs/dbraw/zinc/75/53/82/373755382.db2.gz VGCYDZTWKYLHAX-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@H](C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000514864109 373767631 /nfs/dbraw/zinc/76/76/31/373767631.db2.gz QTROHFBGGDLHLM-TZMCWYRMSA-N 2 1 280.416 -0.025 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000516450398 373812116 /nfs/dbraw/zinc/81/21/16/373812116.db2.gz KQJLPDKQSJPCQE-CYBMUJFWSA-N 2 1 294.399 -0.639 20 0 CBADMP [NH3+]Cc1nc(C(=O)NC[C@@H]2C[NH2+]CCCO2)cs1 ZINC000519829307 373825925 /nfs/dbraw/zinc/82/59/25/373825925.db2.gz XQIUXWVNSPBVQK-QMMMGPOBSA-N 2 1 270.358 -0.290 20 0 CBADMP C[C@H](CNC(=O)COC1CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC000515381100 373787208 /nfs/dbraw/zinc/78/72/08/373787208.db2.gz UAAUXKCWWRIXLC-CYBMUJFWSA-N 2 1 299.415 -0.161 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000515659027 373794285 /nfs/dbraw/zinc/79/42/85/373794285.db2.gz ANWUAZPBJGUNHI-WCQYABFASA-N 2 1 257.378 -0.066 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)C1 ZINC000521269929 373841810 /nfs/dbraw/zinc/84/18/10/373841810.db2.gz GTYQPCDYFGTAFB-DZGCQCFKSA-N 2 1 297.399 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)C1 ZINC000521269929 373841821 /nfs/dbraw/zinc/84/18/21/373841821.db2.gz GTYQPCDYFGTAFB-DZGCQCFKSA-N 2 1 297.399 -0.720 20 0 CBADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000521611546 373846677 /nfs/dbraw/zinc/84/66/77/373846677.db2.gz DUKOWINYHBMRDG-DGCLKSJQSA-N 2 1 255.362 -0.348 20 0 CBADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000521611546 373846687 /nfs/dbraw/zinc/84/66/87/373846687.db2.gz DUKOWINYHBMRDG-DGCLKSJQSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)C[NH+](C)CCOC ZINC000521642445 373849595 /nfs/dbraw/zinc/84/95/95/373849595.db2.gz ZIDUCFAZMMSIBL-KGLIPLIRSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[C@@H]1C[NH+](C)CCN1C[C@@H](O)C[N@H+](C)CCOC ZINC000521642445 373849601 /nfs/dbraw/zinc/84/96/01/373849601.db2.gz ZIDUCFAZMMSIBL-KGLIPLIRSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[C@@H]1C[NH+](C)CCN1C[C@@H](O)C[N@@H+](C)CCOC ZINC000521642445 373849607 /nfs/dbraw/zinc/84/96/07/373849607.db2.gz ZIDUCFAZMMSIBL-KGLIPLIRSA-N 2 1 273.421 -0.049 20 0 CBADMP C[N@@H+](C[C@H](O)CNC[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000521874742 373851522 /nfs/dbraw/zinc/85/15/22/373851522.db2.gz COLMGTXCXCXZCM-CABCVRRESA-N 2 1 285.432 -0.122 20 0 CBADMP C[N@@H+](C[C@@H](O)CNC[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000521874749 373851649 /nfs/dbraw/zinc/85/16/49/373851649.db2.gz COLMGTXCXCXZCM-GJZGRUSLSA-N 2 1 285.432 -0.122 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000521998597 373855628 /nfs/dbraw/zinc/85/56/28/373855628.db2.gz YWUPNOMXXFVGEG-CHWSQXEVSA-N 2 1 296.415 -0.183 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000521998601 373855779 /nfs/dbraw/zinc/85/57/79/373855779.db2.gz YWUPNOMXXFVGEG-QWHCGFSZSA-N 2 1 296.415 -0.183 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522147330 373862633 /nfs/dbraw/zinc/86/26/33/373862633.db2.gz BJPFKQHXQWANQW-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522147330 373862638 /nfs/dbraw/zinc/86/26/38/373862638.db2.gz BJPFKQHXQWANQW-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522147330 373862644 /nfs/dbraw/zinc/86/26/44/373862644.db2.gz BJPFKQHXQWANQW-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000522266323 373867013 /nfs/dbraw/zinc/86/70/13/373867013.db2.gz IFDRUVDGVGODSF-KBPBESRZSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)CN1CC[NH+](C)CC1 ZINC000522266323 373867021 /nfs/dbraw/zinc/86/70/21/373867021.db2.gz IFDRUVDGVGODSF-KBPBESRZSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)CN1CC[NH+](C)CC1 ZINC000522266323 373867030 /nfs/dbraw/zinc/86/70/30/373867030.db2.gz IFDRUVDGVGODSF-KBPBESRZSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000527252924 373908518 /nfs/dbraw/zinc/90/85/18/373908518.db2.gz CKHSINFDUVIDIL-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000527252924 373908526 /nfs/dbraw/zinc/90/85/26/373908526.db2.gz CKHSINFDUVIDIL-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC000527252924 373908533 /nfs/dbraw/zinc/90/85/33/373908533.db2.gz CKHSINFDUVIDIL-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC000527252924 373908539 /nfs/dbraw/zinc/90/85/39/373908539.db2.gz CKHSINFDUVIDIL-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP CNS(=O)(=O)CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000527370814 373915632 /nfs/dbraw/zinc/91/56/32/373915632.db2.gz KMVUAYHXDSVGKJ-UHFFFAOYSA-N 2 1 275.418 0.000 20 0 CBADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCO)O1 ZINC000527553262 373925799 /nfs/dbraw/zinc/92/57/99/373925799.db2.gz JTQBSZWFROETFJ-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCO)O1 ZINC000527553262 373925808 /nfs/dbraw/zinc/92/58/08/373925808.db2.gz JTQBSZWFROETFJ-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCO)O1 ZINC000527553262 373925816 /nfs/dbraw/zinc/92/58/16/373925816.db2.gz JTQBSZWFROETFJ-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCO)O1 ZINC000527553262 373925836 /nfs/dbraw/zinc/92/58/36/373925836.db2.gz JTQBSZWFROETFJ-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)O1 ZINC000527553441 373926499 /nfs/dbraw/zinc/92/64/99/373926499.db2.gz MAYXQFQZKPFMSM-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCCO)C2)O1 ZINC000527553441 373926504 /nfs/dbraw/zinc/92/65/04/373926504.db2.gz MAYXQFQZKPFMSM-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCCO)C2)O1 ZINC000527553441 373926508 /nfs/dbraw/zinc/92/65/08/373926508.db2.gz MAYXQFQZKPFMSM-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)O1 ZINC000527553441 373926515 /nfs/dbraw/zinc/92/65/15/373926515.db2.gz MAYXQFQZKPFMSM-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000529297266 374000385 /nfs/dbraw/zinc/00/03/85/374000385.db2.gz HWNCBEVPGCCXQM-FRRDWIJNSA-N 2 1 282.388 -0.099 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529376197 374016577 /nfs/dbraw/zinc/01/65/77/374016577.db2.gz QHLVZNPCCPMNRP-OLZOCXBDSA-N 2 1 284.404 -0.044 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529376353 374017525 /nfs/dbraw/zinc/01/75/25/374017525.db2.gz BZNOKDXKTZIWNV-NWDGAFQWSA-N 2 1 270.377 -0.290 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529384658 374024574 /nfs/dbraw/zinc/02/45/74/374024574.db2.gz DQMHVKIGBUVXOL-PWSUYJOCSA-N 2 1 274.340 -0.682 20 0 CBADMP CNC(=O)NC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000530208436 374067328 /nfs/dbraw/zinc/06/73/28/374067328.db2.gz UBJRNKHWSVJGAY-GFCCVEGCSA-N 2 1 270.377 -0.384 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000530242290 374069846 /nfs/dbraw/zinc/06/98/46/374069846.db2.gz BKSHRBAVAURFPA-HNNXBMFYSA-N 2 1 296.415 -0.344 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000530242290 374069854 /nfs/dbraw/zinc/06/98/54/374069854.db2.gz BKSHRBAVAURFPA-HNNXBMFYSA-N 2 1 296.415 -0.344 20 0 CBADMP C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCO ZINC000548313335 374193390 /nfs/dbraw/zinc/19/33/90/374193390.db2.gz FETNUSXSIUVVIA-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCO ZINC000548313335 374193399 /nfs/dbraw/zinc/19/33/99/374193399.db2.gz FETNUSXSIUVVIA-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCO ZINC000548313335 374193405 /nfs/dbraw/zinc/19/34/05/374193405.db2.gz FETNUSXSIUVVIA-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCO ZINC000548313335 374193414 /nfs/dbraw/zinc/19/34/14/374193414.db2.gz FETNUSXSIUVVIA-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCO ZINC000548313335 374193423 /nfs/dbraw/zinc/19/34/23/374193423.db2.gz FETNUSXSIUVVIA-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2(N3CCOCC3)CC2)C1 ZINC000551867782 374246386 /nfs/dbraw/zinc/24/63/86/374246386.db2.gz XMAJFUFXQZITSD-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP C[C@@H](CN1CCN(C)CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000551842993 374246726 /nfs/dbraw/zinc/24/67/26/374246726.db2.gz RWJFNVNENFTGJW-STQMWFEESA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H](CN1CCN(C)CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000551842993 374246732 /nfs/dbraw/zinc/24/67/32/374246732.db2.gz RWJFNVNENFTGJW-STQMWFEESA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H]1CCNC(=O)[C@H]1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000554946415 374285655 /nfs/dbraw/zinc/28/56/55/374285655.db2.gz JDWJDBGZQYKUKM-JLLWLGSASA-N 2 1 255.362 -0.444 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)CC[N@@H+](C)C2CC2)C1 ZINC000577867621 374342490 /nfs/dbraw/zinc/34/24/90/374342490.db2.gz OTICYDVBYQOANJ-NWDGAFQWSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1COCCN1CC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000583495026 374363786 /nfs/dbraw/zinc/36/37/86/374363786.db2.gz NVANSKCSRGYGMJ-TZMCWYRMSA-N 2 1 271.405 -0.248 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000583802397 374366966 /nfs/dbraw/zinc/36/69/66/374366966.db2.gz BYNYQAXLVAUYMJ-UHFFFAOYSA-N 2 1 270.377 -0.687 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000577955506 374346317 /nfs/dbraw/zinc/34/63/17/374346317.db2.gz WATSDRFDFQQDKK-QWRGUYRKSA-N 2 1 271.361 -0.275 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000577949427 374347047 /nfs/dbraw/zinc/34/70/47/374347047.db2.gz LXYHPZUPQWKRSR-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP COC(=O)c1cn(CC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)nn1 ZINC000578065238 374350459 /nfs/dbraw/zinc/35/04/59/374350459.db2.gz RWPKGKGPDAQTFC-NSHDSACASA-N 2 1 297.359 -0.891 20 0 CBADMP COC(=O)c1cn(CC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)nn1 ZINC000578065238 374350464 /nfs/dbraw/zinc/35/04/64/374350464.db2.gz RWPKGKGPDAQTFC-NSHDSACASA-N 2 1 297.359 -0.891 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)[C@H]2C1 ZINC000643794224 374422233 /nfs/dbraw/zinc/42/22/33/374422233.db2.gz LXTKIYZONQWVEL-UPJWGTAASA-N 2 1 267.373 -0.225 20 0 CBADMP O=C(C[NH2+]C[C@H]1CCCO1)N1CC[NH2+]C[C@H]1C(F)F ZINC000644124482 374490819 /nfs/dbraw/zinc/49/08/19/374490819.db2.gz MYHXULBTHKQMPA-ZJUUUORDSA-N 2 1 277.315 -0.180 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000644164139 374497327 /nfs/dbraw/zinc/49/73/27/374497327.db2.gz WWOKFGGQMOPIDU-KBPBESRZSA-N 2 1 290.367 -0.067 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CCCN1C(=O)CCC1=O)C1CC1 ZINC000644548069 374592300 /nfs/dbraw/zinc/59/23/00/374592300.db2.gz NCDZZNBDUWMFGK-LBPRGKRZSA-N 2 1 283.372 -0.430 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCN1C(=O)CCC1=O)C1CC1 ZINC000644548069 374592305 /nfs/dbraw/zinc/59/23/05/374592305.db2.gz NCDZZNBDUWMFGK-LBPRGKRZSA-N 2 1 283.372 -0.430 20 0 CBADMP CC[C@H](O)C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000644569608 374596881 /nfs/dbraw/zinc/59/68/81/374596881.db2.gz DMUXHAMLEZNJJK-KGLIPLIRSA-N 2 1 271.405 -0.247 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCC(=O)N1)C1CC1 ZINC000644635310 374604705 /nfs/dbraw/zinc/60/47/05/374604705.db2.gz YBWKMHSMUIVTOO-CMPLNLGQSA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCC(=O)N1)C1CC1 ZINC000644635310 374604709 /nfs/dbraw/zinc/60/47/09/374604709.db2.gz YBWKMHSMUIVTOO-CMPLNLGQSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)COCC[NH3+])C[C@H](C)O1 ZINC000645276563 374657195 /nfs/dbraw/zinc/65/71/95/374657195.db2.gz AFVQQDKSZCACBA-RYUDHWBXSA-N 2 1 287.404 -0.034 20 0 CBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)COCC[NH3+])C[C@@H](C)O1 ZINC000645276565 374657306 /nfs/dbraw/zinc/65/73/06/374657306.db2.gz AFVQQDKSZCACBA-VXGBXAGGSA-N 2 1 287.404 -0.034 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000645478966 374674924 /nfs/dbraw/zinc/67/49/24/374674924.db2.gz VVSKOBSUUONQMW-NEPJUHHUSA-N 2 1 254.378 -0.523 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645685043 374692383 /nfs/dbraw/zinc/69/23/83/374692383.db2.gz RJOPFPOOMSQYQN-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000645685044 374692430 /nfs/dbraw/zinc/69/24/30/374692430.db2.gz RJOPFPOOMSQYQN-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000645685304 374693014 /nfs/dbraw/zinc/69/30/14/374693014.db2.gz ZURFHVIVXYPSCH-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000646242894 374762822 /nfs/dbraw/zinc/76/28/22/374762822.db2.gz ITQDXWKLYXXISH-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)CC[N@H+]1C ZINC000646210612 374756970 /nfs/dbraw/zinc/75/69/70/374756970.db2.gz ANAKWYNQSLBKGM-SDDRHHMPSA-N 2 1 257.378 -0.245 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000645856482 374707207 /nfs/dbraw/zinc/70/72/07/374707207.db2.gz GNZIDANVIOFFNL-UHFFFAOYSA-N 2 1 268.365 -0.303 20 0 CBADMP CC1(C)C[NH2+][C@H]1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000645869898 374709753 /nfs/dbraw/zinc/70/97/53/374709753.db2.gz ZJWTUMCLLRCANC-NEPJUHHUSA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000645978122 374720842 /nfs/dbraw/zinc/72/08/42/374720842.db2.gz SNOMYCKMLFPCEN-NWDGAFQWSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645978122 374720847 /nfs/dbraw/zinc/72/08/47/374720847.db2.gz SNOMYCKMLFPCEN-NWDGAFQWSA-N 2 1 268.405 -0.134 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)COCC[NH3+])C2)CC1 ZINC000645977901 374720866 /nfs/dbraw/zinc/72/08/66/374720866.db2.gz NBDWSIWJWUMCMC-GFCCVEGCSA-N 2 1 284.404 -0.754 20 0 CBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)COCC[NH3+])C2)CC1 ZINC000645977901 374720867 /nfs/dbraw/zinc/72/08/67/374720867.db2.gz NBDWSIWJWUMCMC-GFCCVEGCSA-N 2 1 284.404 -0.754 20 0 CBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H](F)C[NH2+]3)C2)CC1 ZINC000645977464 374720946 /nfs/dbraw/zinc/72/09/46/374720946.db2.gz AFBSYOGEJCXHPT-OUCADQQQSA-N 2 1 298.406 -0.029 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H](F)C[NH2+]3)C2)CC1 ZINC000645977464 374720949 /nfs/dbraw/zinc/72/09/49/374720949.db2.gz AFBSYOGEJCXHPT-OUCADQQQSA-N 2 1 298.406 -0.029 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C[NH2+]C3CC3)CC2)C1 ZINC000646002719 374724383 /nfs/dbraw/zinc/72/43/83/374724383.db2.gz AFAQOSFVCAYUAP-CQSZACIVSA-N 2 1 280.416 -0.023 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)C1 ZINC000646003122 374725133 /nfs/dbraw/zinc/72/51/33/374725133.db2.gz SQEURUSZXQEPMA-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000646003213 374725395 /nfs/dbraw/zinc/72/53/95/374725395.db2.gz WMWYLRVVLIOESH-UONOGXRCSA-N 2 1 298.431 -0.411 20 0 CBADMP O=C(C[NH2+]C1CC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009452 374726338 /nfs/dbraw/zinc/72/63/38/374726338.db2.gz KXJHKNWBGKPWMF-CQSZACIVSA-N 2 1 296.415 -0.739 20 0 CBADMP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009582 374726717 /nfs/dbraw/zinc/72/67/17/374726717.db2.gz VMSMWESSEDXHBY-UONOGXRCSA-N 2 1 298.431 -0.364 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000646009383 374727233 /nfs/dbraw/zinc/72/72/33/374727233.db2.gz GBADWKJXQVJBPH-KGLIPLIRSA-N 2 1 296.415 -0.739 20 0 CBADMP CC1(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[NH2+]C1 ZINC000646009617 374727689 /nfs/dbraw/zinc/72/76/89/374727689.db2.gz XEWVKQVIBUENPF-ZDUSSCGKSA-N 2 1 296.415 -0.881 20 0 CBADMP CC(=O)NCC[NH+](C)C/C=C/C[N@@H+](C)CCNC(C)=O ZINC000646047160 374734840 /nfs/dbraw/zinc/73/48/40/374734840.db2.gz IBKJXJGXCRYERS-AATRIKPKSA-N 2 1 284.404 -0.322 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000646242895 374762138 /nfs/dbraw/zinc/76/21/38/374762138.db2.gz ITQDXWKLYXXISH-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000646070766 374738267 /nfs/dbraw/zinc/73/82/67/374738267.db2.gz XFCGFDWDLYHNRE-UTUOFQBUSA-N 2 1 255.362 -0.227 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000646631654 374796460 /nfs/dbraw/zinc/79/64/60/374796460.db2.gz UCMDZMNLFMTBRM-GFCCVEGCSA-N 2 1 254.378 -0.508 20 0 CBADMP O=C(C[NH2+]C[C@H]1CCCO1)NCC[N@@H+]1CCCOCC1 ZINC000646505265 374783418 /nfs/dbraw/zinc/78/34/18/374783418.db2.gz HNWSKSRAVRAPMQ-CYBMUJFWSA-N 2 1 285.388 -0.407 20 0 CBADMP O=C(C[NH2+]C[C@H]1CCCO1)NCC[N@H+]1CCCOCC1 ZINC000646505265 374783422 /nfs/dbraw/zinc/78/34/22/374783422.db2.gz HNWSKSRAVRAPMQ-CYBMUJFWSA-N 2 1 285.388 -0.407 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000574543545 335028483 /nfs/dbraw/zinc/02/84/83/335028483.db2.gz VMQNMEMFSZRLEY-NWDGAFQWSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@@H+]1C[C@H]2CCN(C(=O)CN3CC[NH+](C)CC3)[C@H]2C1 ZINC000646914233 374840348 /nfs/dbraw/zinc/84/03/48/374840348.db2.gz SNXACJBHXNLBKH-OLZOCXBDSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@H+]1C[C@H]2CCN(C(=O)CN3CC[NH+](C)CC3)[C@H]2C1 ZINC000646914233 374840354 /nfs/dbraw/zinc/84/03/54/374840354.db2.gz SNXACJBHXNLBKH-OLZOCXBDSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@@H+]1C[C@H]2CCN(C(=O)CN3CC[NH+](C)CC3)[C@@H]2C1 ZINC000646914232 374840609 /nfs/dbraw/zinc/84/06/09/374840609.db2.gz SNXACJBHXNLBKH-CHWSQXEVSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@H+]1C[C@H]2CCN(C(=O)CN3CC[NH+](C)CC3)[C@@H]2C1 ZINC000646914232 374840615 /nfs/dbraw/zinc/84/06/15/374840615.db2.gz SNXACJBHXNLBKH-CHWSQXEVSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)[C@@H]2C1 ZINC000646918529 374842282 /nfs/dbraw/zinc/84/22/82/374842282.db2.gz YIOFQLCOINWEDO-MJBXVCDLSA-N 2 1 278.400 -0.461 20 0 CBADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)[C@@H]2C1 ZINC000646918529 374842288 /nfs/dbraw/zinc/84/22/88/374842288.db2.gz YIOFQLCOINWEDO-MJBXVCDLSA-N 2 1 278.400 -0.461 20 0 CBADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)[C@@H]2C1 ZINC000646918529 374842295 /nfs/dbraw/zinc/84/22/95/374842295.db2.gz YIOFQLCOINWEDO-MJBXVCDLSA-N 2 1 278.400 -0.461 20 0 CBADMP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000646975049 374854864 /nfs/dbraw/zinc/85/48/64/374854864.db2.gz WLXASAOCMONBNH-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP Cc1ccc(NCCCNC(=O)CNC(=O)C[NH3+])[nH+]c1 ZINC000262427149 190055056 /nfs/dbraw/zinc/05/50/56/190055056.db2.gz RUMJVKXKAONXKM-UHFFFAOYSA-N 2 1 279.344 -0.617 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+]([C@H](C)CO)CC2)C1 ZINC000356968617 248304236 /nfs/dbraw/zinc/30/42/36/248304236.db2.gz BXNSSKPAEOIPFZ-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[NH+]([C@H](C)CO)CC2)C1 ZINC000356968617 248304240 /nfs/dbraw/zinc/30/42/40/248304240.db2.gz BXNSSKPAEOIPFZ-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)C1 ZINC000356968617 248304246 /nfs/dbraw/zinc/30/42/46/248304246.db2.gz BXNSSKPAEOIPFZ-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)C1 ZINC000356968617 248304249 /nfs/dbraw/zinc/30/42/49/248304249.db2.gz BXNSSKPAEOIPFZ-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC[NH+]2CCC1CC2 ZINC000357001372 248307208 /nfs/dbraw/zinc/30/72/08/248307208.db2.gz SEKNXYAGXJZRMG-AWEZNQCLSA-N 2 1 278.400 -0.317 20 0 CBADMP [NH3+]CCOCC[NH+]1CCN(Cc2ccon2)CC1 ZINC000357072772 248318532 /nfs/dbraw/zinc/31/85/32/248318532.db2.gz HPPFQISIYCTNQX-UHFFFAOYSA-N 2 1 254.334 -0.233 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000357078217 248320216 /nfs/dbraw/zinc/32/02/16/248320216.db2.gz BXIMSIRVVAGFNR-GFCCVEGCSA-N 2 1 253.350 -0.035 20 0 CBADMP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000357093600 248322858 /nfs/dbraw/zinc/32/28/58/248322858.db2.gz WWCBIEYXHWAYKF-OLZOCXBDSA-N 2 1 267.373 -0.223 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000357093600 248322860 /nfs/dbraw/zinc/32/28/60/248322860.db2.gz WWCBIEYXHWAYKF-OLZOCXBDSA-N 2 1 267.373 -0.223 20 0 CBADMP C[C@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000357181126 248331929 /nfs/dbraw/zinc/33/19/29/248331929.db2.gz WPVQZGOBOPABBE-MNOVXSKESA-N 2 1 270.377 -0.715 20 0 CBADMP COC[C@H]([NH3+])C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357176245 248332498 /nfs/dbraw/zinc/33/24/98/248332498.db2.gz NEWMMCQZPXKSNT-XQQFMLRXSA-N 2 1 287.404 -0.034 20 0 CBADMP COC[C@]1(CNC(=O)[C@@H]2[NH2+]CCO[C@H]2C)CCC[NH2+]1 ZINC000357275403 248343903 /nfs/dbraw/zinc/34/39/03/248343903.db2.gz RISVKYMBDBOIRJ-DMDPSCGWSA-N 2 1 271.361 -0.752 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000357336053 248351863 /nfs/dbraw/zinc/35/18/63/248351863.db2.gz PWIMGSLWUQNRAO-CQSZACIVSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000357336053 248351868 /nfs/dbraw/zinc/35/18/68/248351868.db2.gz PWIMGSLWUQNRAO-CQSZACIVSA-N 2 1 280.416 -0.071 20 0 CBADMP O=C(NCCN1CC[NH2+]CC1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000368451383 248764411 /nfs/dbraw/zinc/76/44/11/248764411.db2.gz RVWODOQFMULFMZ-UONOGXRCSA-N 2 1 280.416 -0.118 20 0 CBADMP C[NH+](C)C/C=C/C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000265664560 190197627 /nfs/dbraw/zinc/19/76/27/190197627.db2.gz FREXCRIAZFZWQV-SNAWJCMRSA-N 2 1 282.388 -0.616 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(C)(C)[NH3+])CC1 ZINC000346979705 218077934 /nfs/dbraw/zinc/07/79/34/218077934.db2.gz LQKGXTMBOCICJC-LBPRGKRZSA-N 2 1 268.405 -0.038 20 0 CBADMP C[C@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000347242408 218165471 /nfs/dbraw/zinc/16/54/71/218165471.db2.gz UHEBZEZFTMSQRB-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000347242408 218165473 /nfs/dbraw/zinc/16/54/73/218165473.db2.gz UHEBZEZFTMSQRB-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000347242408 218165474 /nfs/dbraw/zinc/16/54/74/218165474.db2.gz UHEBZEZFTMSQRB-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000347187527 218150633 /nfs/dbraw/zinc/15/06/33/218150633.db2.gz CDXJGFKPWGCDRM-MNOVXSKESA-N 2 1 280.372 -0.357 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)CCC[NH3+])CC1 ZINC000347473732 218247095 /nfs/dbraw/zinc/24/70/95/218247095.db2.gz KZXPLEBMLKQCER-UHFFFAOYSA-N 2 1 284.404 -0.168 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[NH2+]C)CC1 ZINC000347479227 218250324 /nfs/dbraw/zinc/25/03/24/218250324.db2.gz RYQVPUONSJTUEA-UHFFFAOYSA-N 2 1 270.377 -0.687 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000353707011 220270105 /nfs/dbraw/zinc/27/01/05/220270105.db2.gz GXTJEQMTRZGTBR-VXGBXAGGSA-N 2 1 282.388 -0.430 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000353707011 220270107 /nfs/dbraw/zinc/27/01/07/220270107.db2.gz GXTJEQMTRZGTBR-VXGBXAGGSA-N 2 1 282.388 -0.430 20 0 CBADMP C[N@H+]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000347660465 218311169 /nfs/dbraw/zinc/31/11/69/218311169.db2.gz WKPKQLPCLPNFKT-LLVKDONJSA-N 2 1 268.361 -0.981 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000347668631 218313642 /nfs/dbraw/zinc/31/36/42/218313642.db2.gz DRNCOTUCQPQDAA-CYBMUJFWSA-N 2 1 287.404 -0.351 20 0 CBADMP CC[N@H+](CCO)CCNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000347794984 218359477 /nfs/dbraw/zinc/35/94/77/218359477.db2.gz PMTPDUDIPSSVJW-LBPRGKRZSA-N 2 1 289.445 -0.146 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000347794984 218359481 /nfs/dbraw/zinc/35/94/81/218359481.db2.gz PMTPDUDIPSSVJW-LBPRGKRZSA-N 2 1 289.445 -0.146 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)c(=O)n(C)c1=O)C[NH+]1CCCC1 ZINC000058872145 207357627 /nfs/dbraw/zinc/35/76/27/207357627.db2.gz FSXCKZUSCYDSSE-GFCCVEGCSA-N 2 1 294.399 -0.095 20 0 CBADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000158488837 207389300 /nfs/dbraw/zinc/38/93/00/207389300.db2.gz BEBGYABVDNUOIO-NEPJUHHUSA-N 2 1 280.372 -0.046 20 0 CBADMP C[N@H+]1CCC[C@@H]2C[NH+](CCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000158488837 207389305 /nfs/dbraw/zinc/38/93/05/207389305.db2.gz BEBGYABVDNUOIO-NEPJUHHUSA-N 2 1 280.372 -0.046 20 0 CBADMP C[NH+]1CCC[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000158488837 207389308 /nfs/dbraw/zinc/38/93/08/207389308.db2.gz BEBGYABVDNUOIO-NEPJUHHUSA-N 2 1 280.372 -0.046 20 0 CBADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000158488837 207389312 /nfs/dbraw/zinc/38/93/12/207389312.db2.gz BEBGYABVDNUOIO-NEPJUHHUSA-N 2 1 280.372 -0.046 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000167993935 207399249 /nfs/dbraw/zinc/39/92/49/207399249.db2.gz OAMZYISDLZVZPQ-QJPTWQEYSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000167993935 207399255 /nfs/dbraw/zinc/39/92/55/207399255.db2.gz OAMZYISDLZVZPQ-QJPTWQEYSA-N 2 1 255.362 -0.491 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)NCCC[NH+]1CCOCC1 ZINC000416801356 207550125 /nfs/dbraw/zinc/55/01/25/207550125.db2.gz SMZIIFPIJCXMLF-LBPRGKRZSA-N 2 1 272.393 -0.009 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000418694612 207600468 /nfs/dbraw/zinc/60/04/68/207600468.db2.gz IGRKTPHKZZXXRR-WDEREUQCSA-N 2 1 258.366 -0.304 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@]2(CCOC)CC[NH2+]C2)C1 ZINC000376720043 532978719 /nfs/dbraw/zinc/97/87/19/532978719.db2.gz KEQKDVLOSLPJNM-HIFRSBDPSA-N 2 1 299.415 -0.161 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000342719936 532979844 /nfs/dbraw/zinc/97/98/44/532979844.db2.gz YHPJWPHQBMHZJX-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237085631 285026578 /nfs/dbraw/zinc/02/65/78/285026578.db2.gz ILRUQAYUVUWIGJ-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000423382761 285026844 /nfs/dbraw/zinc/02/68/44/285026844.db2.gz PCOHCGMGOXACMB-HIFRSBDPSA-N 2 1 299.415 -0.161 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000246218391 285027719 /nfs/dbraw/zinc/02/77/19/285027719.db2.gz GLBYHYRVGNYARK-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP CCC(=O)N1CCN(CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000425519266 208026182 /nfs/dbraw/zinc/02/61/82/208026182.db2.gz OKLQYEUWTLHEAH-UHFFFAOYSA-N 2 1 282.388 -0.338 20 0 CBADMP CC[C@@H]1CN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000428086307 208076500 /nfs/dbraw/zinc/07/65/00/208076500.db2.gz BCIIOVKLXFLWRK-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[C@@H]1CN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000428086307 208076504 /nfs/dbraw/zinc/07/65/04/208076504.db2.gz BCIIOVKLXFLWRK-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[C@H]1CN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000428086313 208076710 /nfs/dbraw/zinc/07/67/10/208076710.db2.gz BCIIOVKLXFLWRK-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[C@H]1CN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000428086313 208076716 /nfs/dbraw/zinc/07/67/16/208076716.db2.gz BCIIOVKLXFLWRK-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH+](C2CC2)CC1 ZINC000335298955 208135077 /nfs/dbraw/zinc/13/50/77/208135077.db2.gz FZYRERRHRWEJJB-GDNZZTSVSA-N 2 1 250.346 -0.306 20 0 CBADMP CCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(N)=O ZINC000429141971 208111180 /nfs/dbraw/zinc/11/11/80/208111180.db2.gz LJVFRVMCRFRYHA-UHFFFAOYSA-N 2 1 270.377 -0.652 20 0 CBADMP CCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(N)=O ZINC000429141971 208111186 /nfs/dbraw/zinc/11/11/86/208111186.db2.gz LJVFRVMCRFRYHA-UHFFFAOYSA-N 2 1 270.377 -0.652 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000430711719 208176837 /nfs/dbraw/zinc/17/68/37/208176837.db2.gz GCDSCGUREZAPRX-SRVKXCTJSA-N 2 1 255.362 -0.049 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000430431977 208161136 /nfs/dbraw/zinc/16/11/36/208161136.db2.gz PIHFOANMQWCFFA-LBPRGKRZSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C[C@@H]1C ZINC000430723703 208176918 /nfs/dbraw/zinc/17/69/18/208176918.db2.gz SXMYVGCMYDAHGS-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C[C@@H]1C ZINC000430723703 208176925 /nfs/dbraw/zinc/17/69/25/208176925.db2.gz SXMYVGCMYDAHGS-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)C[NH2+]C[C@@H]2CCCO2)n1C ZINC000430718100 208175016 /nfs/dbraw/zinc/17/50/16/208175016.db2.gz BJMPIUKGSLHPMM-LBPRGKRZSA-N 2 1 295.387 -0.129 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@@H]([NH3+])C2)CC1 ZINC000430589650 208166656 /nfs/dbraw/zinc/16/66/56/208166656.db2.gz FJKAOYIPLMEMBM-NWDGAFQWSA-N 2 1 254.378 -0.428 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000430636470 208168795 /nfs/dbraw/zinc/16/87/95/208168795.db2.gz JGNZRFZRUAMROK-AAEUAGOBSA-N 2 1 294.399 -0.463 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000430621061 208169227 /nfs/dbraw/zinc/16/92/27/208169227.db2.gz CSYUTIZXFNBNPW-LBPRGKRZSA-N 2 1 282.388 -0.604 20 0 CBADMP CCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641004 208169264 /nfs/dbraw/zinc/16/92/64/208169264.db2.gz RWTPFAMPUBIUPT-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+](C)C1CC[NH2+]CC1 ZINC000430619414 208170357 /nfs/dbraw/zinc/17/03/57/208170357.db2.gz AVAAZCUITMQRTA-UHFFFAOYSA-N 2 1 263.407 -0.048 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000430619414 208170361 /nfs/dbraw/zinc/17/03/61/208170361.db2.gz AVAAZCUITMQRTA-UHFFFAOYSA-N 2 1 263.407 -0.048 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000430724347 208174119 /nfs/dbraw/zinc/17/41/19/208174119.db2.gz VGEVMCNSCYBNEG-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000430718324 208174312 /nfs/dbraw/zinc/17/43/12/208174312.db2.gz BVVFDUBYIZOBMN-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000237192886 285076215 /nfs/dbraw/zinc/07/62/15/285076215.db2.gz VTRVTHTXSZQJPH-CYBMUJFWSA-N 2 1 287.404 -0.305 20 0 CBADMP C[NH+](C)C1CCN(CCNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000430767459 208180799 /nfs/dbraw/zinc/18/07/99/208180799.db2.gz MRWMIGOAPUAKKL-CYBMUJFWSA-N 2 1 284.404 -0.883 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)COC2C[NH2+]C2)CC[N@H+]1C ZINC000430785683 208181019 /nfs/dbraw/zinc/18/10/19/208181019.db2.gz YHLFSTOBZJFYON-MNOVXSKESA-N 2 1 255.362 -0.084 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000430799311 208182088 /nfs/dbraw/zinc/18/20/88/208182088.db2.gz KQQFAVMRAHAQFN-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP C[C@@]1(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000430892996 208186135 /nfs/dbraw/zinc/18/61/35/208186135.db2.gz HKSRQXNSBPHIPA-SWLSCSKDSA-N 2 1 296.415 -0.310 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000430893103 208186362 /nfs/dbraw/zinc/18/63/62/208186362.db2.gz CXMOHUMMEMOARV-CHWSQXEVSA-N 2 1 296.415 -0.168 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000430892247 208186615 /nfs/dbraw/zinc/18/66/15/208186615.db2.gz CCEARPIDGKWWFZ-JHJVBQTASA-N 2 1 296.415 -0.183 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000430886508 208188229 /nfs/dbraw/zinc/18/82/29/208188229.db2.gz AMQDAQDCVXHRCZ-OLZOCXBDSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@]1(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC[NH2+]C1 ZINC000430891997 208188501 /nfs/dbraw/zinc/18/85/01/208188501.db2.gz YZIOZUFNQCOZDZ-RISCZKNCSA-N 2 1 282.388 -0.558 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000430882003 208188534 /nfs/dbraw/zinc/18/85/34/208188534.db2.gz GPMNSBZPRSMNHM-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000430897488 208190021 /nfs/dbraw/zinc/19/00/21/208190021.db2.gz NWNBYPABOPRGGB-NWDGAFQWSA-N 2 1 282.388 -0.701 20 0 CBADMP CC(C)(C)[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000430901543 208190742 /nfs/dbraw/zinc/19/07/42/208190742.db2.gz VRIVMWONJKVUOS-GHMZBOCLSA-N 2 1 284.404 -0.184 20 0 CBADMP C[NH2+]CC1CC[NH+](CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000430961416 208192593 /nfs/dbraw/zinc/19/25/93/208192593.db2.gz CZSVKPNJITWHQO-UHFFFAOYSA-N 2 1 296.415 -0.344 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430941926 208193782 /nfs/dbraw/zinc/19/37/82/208193782.db2.gz AGTCZLIYQONDSB-FDYHWXHSSA-N 2 1 296.415 -0.232 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430941926 208193787 /nfs/dbraw/zinc/19/37/87/208193787.db2.gz AGTCZLIYQONDSB-FDYHWXHSSA-N 2 1 296.415 -0.232 20 0 CBADMP C[NH2+]CC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000431059380 208202147 /nfs/dbraw/zinc/20/21/47/208202147.db2.gz CAICYWIZKPZIKY-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000434876558 208271489 /nfs/dbraw/zinc/27/14/89/208271489.db2.gz YSHDDNPTTGHEMC-VXGBXAGGSA-N 2 1 287.429 -0.082 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000434318686 208257947 /nfs/dbraw/zinc/25/79/47/208257947.db2.gz QHXYSPDHKVZKFJ-HNNXBMFYSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]([NH3+])CCC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000434692165 208263841 /nfs/dbraw/zinc/26/38/41/208263841.db2.gz WFVLSWIFXRJPIN-QWRGUYRKSA-N 2 1 270.377 -0.430 20 0 CBADMP C[C@H]([NH3+])CCC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000434679121 208265161 /nfs/dbraw/zinc/26/51/61/208265161.db2.gz AYHBPWKIUMGNQW-RYUDHWBXSA-N 2 1 284.404 -0.183 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCn1cncn1 ZINC000436063314 208288135 /nfs/dbraw/zinc/28/81/35/208288135.db2.gz KUADPHYHRMZRFS-GFCCVEGCSA-N 2 1 280.376 -0.402 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)N1CCOCC1 ZINC000442765398 208366142 /nfs/dbraw/zinc/36/61/42/208366142.db2.gz JLPXHNKAQGRYDQ-RYUDHWBXSA-N 2 1 255.362 -0.096 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423073673 285206305 /nfs/dbraw/zinc/20/63/05/285206305.db2.gz RTTHQBIHRFMIFS-UHFFFAOYSA-N 2 1 298.431 -0.016 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420040493 285255861 /nfs/dbraw/zinc/25/58/61/285255861.db2.gz OXQSWGLBEXBZFI-VXGBXAGGSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C2([NH3+])CC2)CC1 ZINC000353182768 285317621 /nfs/dbraw/zinc/31/76/21/285317621.db2.gz KTAXIAHXKCYBKI-LBPRGKRZSA-N 2 1 268.405 -0.133 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000261934114 285361137 /nfs/dbraw/zinc/36/11/37/285361137.db2.gz IULBCJZSRVJPCY-AAEUAGOBSA-N 2 1 255.362 -0.096 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000261934114 285361139 /nfs/dbraw/zinc/36/11/39/285361139.db2.gz IULBCJZSRVJPCY-AAEUAGOBSA-N 2 1 255.362 -0.096 20 0 CBADMP COC1(C(=O)NCC[N@@H+](C)C2CC2)CC[NH2+]CC1 ZINC000261567021 292093482 /nfs/dbraw/zinc/09/34/82/292093482.db2.gz INDOHLFBJCEFBC-UHFFFAOYSA-N 2 1 255.362 -0.035 20 0 CBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418389495 289131060 /nfs/dbraw/zinc/13/10/60/289131060.db2.gz TYLMDXMIAKTWFS-CYBMUJFWSA-N 2 1 285.436 -0.127 20 0 CBADMP CN(CCCN(C)C(=O)N[C@@H]1CC[NH2+]C1)CC[NH+](C)C ZINC000418389495 289131063 /nfs/dbraw/zinc/13/10/63/289131063.db2.gz TYLMDXMIAKTWFS-CYBMUJFWSA-N 2 1 285.436 -0.127 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000333520552 297093342 /nfs/dbraw/zinc/09/33/42/297093342.db2.gz KOZOAHAAGIHZPW-UPJWGTAASA-N 2 1 282.388 -0.147 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000332187919 297097164 /nfs/dbraw/zinc/09/71/64/297097164.db2.gz TXXZLXDVFMRLKY-UTUOFQBUSA-N 2 1 280.372 -0.840 20 0 CBADMP CO[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCO)[C@H]2C)[N@@H+](C)C1 ZINC000332674736 286083608 /nfs/dbraw/zinc/08/36/08/286083608.db2.gz GFWYSBUBSWAKRR-RQJABVFESA-N 2 1 299.415 -0.381 20 0 CBADMP CO[C@H]1C[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)[NH+](C)C1 ZINC000332674736 286083610 /nfs/dbraw/zinc/08/36/10/286083610.db2.gz GFWYSBUBSWAKRR-RQJABVFESA-N 2 1 299.415 -0.381 20 0 CBADMP CO[C@H]1C[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)[NH+](C)C1 ZINC000332674736 286083611 /nfs/dbraw/zinc/08/36/11/286083611.db2.gz GFWYSBUBSWAKRR-RQJABVFESA-N 2 1 299.415 -0.381 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357081519 289238769 /nfs/dbraw/zinc/23/87/69/289238769.db2.gz VFAHKNKDZQQBEN-RYUDHWBXSA-N 2 1 275.418 -0.191 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357081519 289238771 /nfs/dbraw/zinc/23/87/71/289238771.db2.gz VFAHKNKDZQQBEN-RYUDHWBXSA-N 2 1 275.418 -0.191 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430919605 289271902 /nfs/dbraw/zinc/27/19/02/289271902.db2.gz LSNUEKIPBOWGTJ-IJLUTSLNSA-N 2 1 282.388 -0.621 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417760043 292337070 /nfs/dbraw/zinc/33/70/70/292337070.db2.gz XDKYOOPHYNLPPY-GHMZBOCLSA-N 2 1 260.382 -0.010 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247193315 298242500 /nfs/dbraw/zinc/24/25/00/298242500.db2.gz OGMONRTZDITQTC-WDEREUQCSA-N 2 1 257.378 -0.115 20 0 CBADMP C[C@@H](C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@H](C)[NH3+] ZINC000493990095 286754608 /nfs/dbraw/zinc/75/46/08/286754608.db2.gz BBQFLRGFUGJYQX-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](O)CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000425464089 287078824 /nfs/dbraw/zinc/07/88/24/287078824.db2.gz XEJQVCSQPXPIPP-CYBMUJFWSA-N 2 1 272.389 -0.084 20 0 CBADMP C[C@@H](O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000450498886 287078935 /nfs/dbraw/zinc/07/89/35/287078935.db2.gz HEWKFIILUIPPEG-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000450498886 287078936 /nfs/dbraw/zinc/07/89/36/287078936.db2.gz HEWKFIILUIPPEG-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@H+]1C[C@@H](C)O ZINC000262058141 287157324 /nfs/dbraw/zinc/15/73/24/287157324.db2.gz RLQCQFFGJIJNLH-SYQHCUMBSA-N 2 1 299.415 -0.204 20 0 CBADMP CC[C@@H]1CN(CCOCC[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000357077966 287195924 /nfs/dbraw/zinc/19/59/24/287195924.db2.gz JOPUVZVYDIVBGN-CHWSQXEVSA-N 2 1 259.394 -0.261 20 0 CBADMP CC[C@@H]1C[N@H+](CCOCC[NH3+])CCN1C[C@@H](C)O ZINC000357077966 287195925 /nfs/dbraw/zinc/19/59/25/287195925.db2.gz JOPUVZVYDIVBGN-CHWSQXEVSA-N 2 1 259.394 -0.261 20 0 CBADMP CC[C@@H]1C[N@@H+](CCOCC[NH3+])CCN1C[C@@H](C)O ZINC000357077966 287195926 /nfs/dbraw/zinc/19/59/26/287195926.db2.gz JOPUVZVYDIVBGN-CHWSQXEVSA-N 2 1 259.394 -0.261 20 0 CBADMP C[NH+](C)C/C=C\C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000491871515 412290006 /nfs/dbraw/zinc/29/00/06/412290006.db2.gz QSAXEMJBWMOODT-LLPBQKLSSA-N 2 1 296.415 -0.192 20 0 CBADMP C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900535 414061340 /nfs/dbraw/zinc/06/13/40/414061340.db2.gz NCRGZCODKNMEOJ-DGCLKSJQSA-N 2 1 268.405 -0.040 20 0 CBADMP C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900535 414061348 /nfs/dbraw/zinc/06/13/48/414061348.db2.gz NCRGZCODKNMEOJ-DGCLKSJQSA-N 2 1 268.405 -0.040 20 0 CBADMP C[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901177 414060614 /nfs/dbraw/zinc/06/06/14/414060614.db2.gz UFPVPGLRDNWJEG-CYBMUJFWSA-N 2 1 268.405 -0.167 20 0 CBADMP C[NH2+]CC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901177 414060621 /nfs/dbraw/zinc/06/06/21/414060621.db2.gz UFPVPGLRDNWJEG-CYBMUJFWSA-N 2 1 268.405 -0.167 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000285757281 196388847 /nfs/dbraw/zinc/38/88/47/196388847.db2.gz DGPMNZAPMSOXPI-UHFFFAOYSA-N 2 1 281.360 -0.672 20 0 CBADMP CCC[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N(C)C ZINC000043499902 175058791 /nfs/dbraw/zinc/05/87/91/175058791.db2.gz ULQJSQXPFCBQBR-UHFFFAOYSA-N 2 1 256.394 -0.308 20 0 CBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000043709229 175102652 /nfs/dbraw/zinc/10/26/52/175102652.db2.gz DNSGQYWHXRDMLB-PWSUYJOCSA-N 2 1 253.346 -0.425 20 0 CBADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000073433719 544422726 /nfs/dbraw/zinc/42/27/26/544422726.db2.gz ASPUNBNTOLYJJT-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1CCCCN1C ZINC000083002113 544430231 /nfs/dbraw/zinc/43/02/31/544430231.db2.gz YERQZLFNWMSUEP-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000089700154 544436354 /nfs/dbraw/zinc/43/63/54/544436354.db2.gz PNSDGUZEJJMFPD-SECBINFHSA-N 2 1 252.322 -0.939 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000091300592 544439770 /nfs/dbraw/zinc/43/97/70/544439770.db2.gz MRGSJSKGTZWWNS-ZIAGYGMSSA-N 2 1 297.399 -0.312 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)COCC[NH3+])CC1 ZINC000093231682 544442324 /nfs/dbraw/zinc/44/23/24/544442324.db2.gz JWEVTCLIVAROLL-UHFFFAOYSA-N 2 1 259.350 -0.858 20 0 CBADMP C[N@@H+](CCC[NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093695940 544444358 /nfs/dbraw/zinc/44/43/58/544444358.db2.gz XCZRBJPUVQYBDQ-LLVKDONJSA-N 2 1 263.407 -0.061 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)COC2(C)C[NH2+]C2)CC[N@H+]1C ZINC000098061767 544447207 /nfs/dbraw/zinc/44/72/07/544447207.db2.gz CIMVPKGJBVRQDZ-QWRGUYRKSA-N 2 1 255.362 -0.036 20 0 CBADMP C[N@H+](CCCS(C)(=O)=O)CCN1CC[NH2+]CC1 ZINC000112708523 544449726 /nfs/dbraw/zinc/44/97/26/544449726.db2.gz LZVJALGPBYILMI-UHFFFAOYSA-N 2 1 263.407 -0.742 20 0 CBADMP C[N@@H+](CCCS(C)(=O)=O)CCN1CC[NH2+]CC1 ZINC000112708523 544449728 /nfs/dbraw/zinc/44/97/28/544449728.db2.gz LZVJALGPBYILMI-UHFFFAOYSA-N 2 1 263.407 -0.742 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000226078899 544492667 /nfs/dbraw/zinc/49/26/67/544492667.db2.gz QKWAJJAMWRJGNO-SECBINFHSA-N 2 1 252.322 -0.939 20 0 CBADMP C[C@@H](NC(=O)NCC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000133913410 544462484 /nfs/dbraw/zinc/46/24/84/544462484.db2.gz BGJHLZKGQFAFOF-MNOVXSKESA-N 2 1 258.366 -0.434 20 0 CBADMP C[C@@H](NC(=O)NCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000133913410 544462488 /nfs/dbraw/zinc/46/24/88/544462488.db2.gz BGJHLZKGQFAFOF-MNOVXSKESA-N 2 1 258.366 -0.434 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000232115392 544502332 /nfs/dbraw/zinc/50/23/32/544502332.db2.gz RGEAUFYFVUIBMK-OLZOCXBDSA-N 2 1 285.388 -0.327 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000167660163 544478793 /nfs/dbraw/zinc/47/87/93/544478793.db2.gz IVGKYPYKEBIEEY-CHWSQXEVSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000333813738 544546256 /nfs/dbraw/zinc/54/62/56/544546256.db2.gz JULOVMGDHLFFRR-FRRDWIJNSA-N 2 1 284.404 -0.165 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000236900329 544508379 /nfs/dbraw/zinc/50/83/79/544508379.db2.gz XMSCCSCGJSTZBZ-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000236900329 544508381 /nfs/dbraw/zinc/50/83/81/544508381.db2.gz XMSCCSCGJSTZBZ-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP CO[C@@]1(CO)CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000661386822 419491516 /nfs/dbraw/zinc/49/15/16/419491516.db2.gz FDVMKLBOCYXBFW-HNNXBMFYSA-N 2 1 299.415 -0.376 20 0 CBADMP CO[C@@]1(CO)CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000661386822 419491525 /nfs/dbraw/zinc/49/15/25/419491525.db2.gz FDVMKLBOCYXBFW-HNNXBMFYSA-N 2 1 299.415 -0.376 20 0 CBADMP Nc1nc(-n2cccn2)cc(NCC[N@@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000624677857 419424888 /nfs/dbraw/zinc/42/48/88/419424888.db2.gz ABNWOXQKMZDOLH-SNVBAGLBSA-N 2 1 289.343 -0.277 20 0 CBADMP Nc1nc(-n2cccn2)cc(NCC[N@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000624677857 419424893 /nfs/dbraw/zinc/42/48/93/419424893.db2.gz ABNWOXQKMZDOLH-SNVBAGLBSA-N 2 1 289.343 -0.277 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000044538854 419430133 /nfs/dbraw/zinc/43/01/33/419430133.db2.gz ISNSCRMVMSEQAU-LBPRGKRZSA-N 2 1 254.378 -0.650 20 0 CBADMP C[C@H](C[NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000054340551 419457101 /nfs/dbraw/zinc/45/71/01/419457101.db2.gz GFTFLSJDTVNAQS-NEPJUHHUSA-N 2 1 255.362 -0.096 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+]([C@@H]2CCCC[C@H]2O)CC1=O ZINC000660914913 419458087 /nfs/dbraw/zinc/45/80/87/419458087.db2.gz XHPMGGBACIZUFQ-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](C)CCN1CC[N@H+]([C@@H]2CCCC[C@H]2O)CC1=O ZINC000660914913 419458095 /nfs/dbraw/zinc/45/80/95/419458095.db2.gz XHPMGGBACIZUFQ-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1C[NH+](CCN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000660926575 419459802 /nfs/dbraw/zinc/45/98/02/419459802.db2.gz PHIONECIWIBYGH-ZQDZILKHSA-N 2 1 283.416 -0.154 20 0 CBADMP C[C@H]1C[NH+](CCN2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000660926575 419459809 /nfs/dbraw/zinc/45/98/09/419459809.db2.gz PHIONECIWIBYGH-ZQDZILKHSA-N 2 1 283.416 -0.154 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000054340553 419460411 /nfs/dbraw/zinc/46/04/11/419460411.db2.gz GFTFLSJDTVNAQS-NWDGAFQWSA-N 2 1 255.362 -0.096 20 0 CBADMP CC[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258380 419567475 /nfs/dbraw/zinc/56/74/75/419567475.db2.gz UCRDEOXHPSPVIZ-MNOVXSKESA-N 2 1 253.346 -0.282 20 0 CBADMP CC[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258380 419567482 /nfs/dbraw/zinc/56/74/82/419567482.db2.gz UCRDEOXHPSPVIZ-MNOVXSKESA-N 2 1 253.346 -0.282 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCOC[C@H]1C ZINC000381240306 544574538 /nfs/dbraw/zinc/57/45/38/544574538.db2.gz KGNBFWJNDXPSPY-UPJWGTAASA-N 2 1 260.378 -0.060 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCOC[C@H]1C ZINC000381240306 544574542 /nfs/dbraw/zinc/57/45/42/544574542.db2.gz KGNBFWJNDXPSPY-UPJWGTAASA-N 2 1 260.378 -0.060 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661826818 419530861 /nfs/dbraw/zinc/53/08/61/419530861.db2.gz KGTYWDFGCRFUOR-AGIUHOORSA-N 2 1 272.389 -0.181 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661826818 419530867 /nfs/dbraw/zinc/53/08/67/419530867.db2.gz KGTYWDFGCRFUOR-AGIUHOORSA-N 2 1 272.389 -0.181 20 0 CBADMP CCOC[C@H](O)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662157736 419551875 /nfs/dbraw/zinc/55/18/75/419551875.db2.gz PWLJLTVAALGQGM-ZIAGYGMSSA-N 2 1 272.389 -0.085 20 0 CBADMP CC[N@H+]1CCN(C[C@H](O)C[NH+](C)CCOC)C[C@H]1C ZINC000388954274 544577567 /nfs/dbraw/zinc/57/75/67/544577567.db2.gz ZRUZEEYWCJRVIV-ZIAGYGMSSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+]1CCN(C[C@H](O)C[N@H+](C)CCOC)C[C@H]1C ZINC000388954274 544577572 /nfs/dbraw/zinc/57/75/72/544577572.db2.gz ZRUZEEYWCJRVIV-ZIAGYGMSSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+]1CCN(C[C@H](O)C[N@@H+](C)CCOC)C[C@H]1C ZINC000388954274 544577575 /nfs/dbraw/zinc/57/75/75/544577575.db2.gz ZRUZEEYWCJRVIV-ZIAGYGMSSA-N 2 1 273.421 -0.049 20 0 CBADMP CC(C)C[N@H+](CC(N)=O)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252305 419562569 /nfs/dbraw/zinc/56/25/69/419562569.db2.gz OYNYCXIUDRMLPC-NSHDSACASA-N 2 1 255.362 -0.049 20 0 CBADMP COC[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662255981 419562755 /nfs/dbraw/zinc/56/27/55/419562755.db2.gz TVBCCRODVMVZGK-NEPJUHHUSA-N 2 1 256.346 -0.145 20 0 CBADMP COC[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662255981 419562758 /nfs/dbraw/zinc/56/27/58/419562758.db2.gz TVBCCRODVMVZGK-NEPJUHHUSA-N 2 1 256.346 -0.145 20 0 CBADMP COC[C@@H](C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])OC ZINC000662271683 419566561 /nfs/dbraw/zinc/56/65/61/419566561.db2.gz IKQFALGCOHASSY-QWHCGFSZSA-N 2 1 287.404 -0.033 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H]2COCCO2)CC1 ZINC000661605041 419502365 /nfs/dbraw/zinc/50/23/65/419502365.db2.gz PMLVHQPVIAFXBR-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H]2COCCO2)CC1 ZINC000661605041 419502372 /nfs/dbraw/zinc/50/23/72/419502372.db2.gz PMLVHQPVIAFXBR-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662554762 419640956 /nfs/dbraw/zinc/64/09/56/419640956.db2.gz RFYKEOYFGXMPNP-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC(C)(C[NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394379117 544579650 /nfs/dbraw/zinc/57/96/50/544579650.db2.gz BSYOARJHOFYIII-LLVKDONJSA-N 2 1 254.378 -0.523 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000394382412 544580564 /nfs/dbraw/zinc/58/05/64/544580564.db2.gz WFVXCQPNVSUYDC-KBPBESRZSA-N 2 1 292.427 -0.118 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394381697 544580681 /nfs/dbraw/zinc/58/06/81/544580681.db2.gz OCRCYRHFFDBRIT-RWMBFGLXSA-N 2 1 266.389 -0.380 20 0 CBADMP C[NH2+]CC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000237221615 419579131 /nfs/dbraw/zinc/57/91/31/419579131.db2.gz NDTCKWMBOUVXIS-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP [NH3+]C1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CCC1 ZINC000394380052 544581517 /nfs/dbraw/zinc/58/15/17/544581517.db2.gz GGSHMCRVLATOTP-LLVKDONJSA-N 2 1 252.362 -0.626 20 0 CBADMP COCC1([N@@H+](C)CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000662297104 419581764 /nfs/dbraw/zinc/58/17/64/419581764.db2.gz AKSHSFDLAKIECS-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C[C@H]1COCCO1 ZINC000662307486 419582965 /nfs/dbraw/zinc/58/29/65/419582965.db2.gz WHEJRIXLYJEADP-RYUDHWBXSA-N 2 1 256.346 -0.145 20 0 CBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237448511 419583321 /nfs/dbraw/zinc/58/33/21/419583321.db2.gz HGVWJWLSBXYKIA-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP [NH3+]CCOCC[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662315605 419583881 /nfs/dbraw/zinc/58/38/81/419583881.db2.gz GSHGOUBBYCARGC-LBPRGKRZSA-N 2 1 255.362 -0.094 20 0 CBADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC1=CCCOC1 ZINC000662305282 419585603 /nfs/dbraw/zinc/58/56/03/419585603.db2.gz HCFMRCKBGPWGQM-UHFFFAOYSA-N 2 1 253.346 -0.303 20 0 CBADMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC1=CCCOC1 ZINC000662305282 419585606 /nfs/dbraw/zinc/58/56/06/419585606.db2.gz HCFMRCKBGPWGQM-UHFFFAOYSA-N 2 1 253.346 -0.303 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662326243 419585997 /nfs/dbraw/zinc/58/59/97/419585997.db2.gz XKGSAQNICAAVMQ-YNEHKIRRSA-N 2 1 286.395 -0.090 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C[C@H]1COCCO1 ZINC000662306700 419586242 /nfs/dbraw/zinc/58/62/42/419586242.db2.gz RXTBTIXKZMXEFI-LBPRGKRZSA-N 2 1 271.361 -0.845 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662386534 419592761 /nfs/dbraw/zinc/59/27/61/419592761.db2.gz BVRWBWFAELDZDX-LLVKDONJSA-N 2 1 280.376 -0.159 20 0 CBADMP CC1(C)CNCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000647500448 419594800 /nfs/dbraw/zinc/59/48/00/419594800.db2.gz PKMLKYAJOSESKU-LBPRGKRZSA-N 2 1 268.405 -0.133 20 0 CBADMP CC1(C)CNCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000647500448 419594808 /nfs/dbraw/zinc/59/48/08/419594808.db2.gz PKMLKYAJOSESKU-LBPRGKRZSA-N 2 1 268.405 -0.133 20 0 CBADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000252742657 419596308 /nfs/dbraw/zinc/59/63/08/419596308.db2.gz NLJMYTCCIUDHNN-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000252742657 419596320 /nfs/dbraw/zinc/59/63/20/419596320.db2.gz NLJMYTCCIUDHNN-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+](C)C[C@@H](O)CNC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647516304 419596256 /nfs/dbraw/zinc/59/62/56/419596256.db2.gz DPVJWCMTDQXVIF-JKSUJKDBSA-N 2 1 295.427 -0.009 20 0 CBADMP O[C@H](C[NH2+]C[C@H](O)COCC1CC1)C[NH+]1CCCC1 ZINC000647517368 419597383 /nfs/dbraw/zinc/59/73/83/419597383.db2.gz HOFDEBAVYPERHU-KGLIPLIRSA-N 2 1 272.389 -0.180 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262037359 419598156 /nfs/dbraw/zinc/59/81/56/419598156.db2.gz KTBBJEBSCAGEAQ-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH2+]C[C@H](O)CNC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647526527 419603567 /nfs/dbraw/zinc/60/35/67/419603567.db2.gz APXABEDMIXEIAE-LSDHHAIUSA-N 2 1 281.400 -0.351 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000662453611 419610268 /nfs/dbraw/zinc/61/02/68/419610268.db2.gz VDQFVTJFBOKIHP-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000662467604 419612798 /nfs/dbraw/zinc/61/27/98/419612798.db2.gz JFPDDYJAJIOLOT-OLZOCXBDSA-N 2 1 287.404 -0.177 20 0 CBADMP CO[C@]1(CO)CCCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000401706109 544585120 /nfs/dbraw/zinc/58/51/20/544585120.db2.gz DRAYDUWQJRNSEG-ZIAGYGMSSA-N 2 1 272.389 -0.085 20 0 CBADMP CO[C@]1(CO)CCC[N@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000401706109 544585123 /nfs/dbraw/zinc/58/51/23/544585123.db2.gz DRAYDUWQJRNSEG-ZIAGYGMSSA-N 2 1 272.389 -0.085 20 0 CBADMP CO[C@]1(CO)CCC[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000401706109 544585126 /nfs/dbraw/zinc/58/51/26/544585126.db2.gz DRAYDUWQJRNSEG-ZIAGYGMSSA-N 2 1 272.389 -0.085 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000662479774 419616159 /nfs/dbraw/zinc/61/61/59/419616159.db2.gz MRWQSJFHDUOSFA-QWHCGFSZSA-N 2 1 270.421 -0.016 20 0 CBADMP C[N@H+](CCOCC[NH3+])CC(=O)NCC(F)(F)F ZINC000302397286 419616319 /nfs/dbraw/zinc/61/63/19/419616319.db2.gz OKHHIEZMPHNYNQ-UHFFFAOYSA-N 2 1 257.256 -0.428 20 0 CBADMP C[N@@H+](CCOCC[NH3+])CC(=O)NCC(F)(F)F ZINC000302397286 419616328 /nfs/dbraw/zinc/61/63/28/419616328.db2.gz OKHHIEZMPHNYNQ-UHFFFAOYSA-N 2 1 257.256 -0.428 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000311177375 419619258 /nfs/dbraw/zinc/61/92/58/419619258.db2.gz WTVUJEPCHIKXAI-AVGNSLFASA-N 2 1 257.378 -0.923 20 0 CBADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1=CC[N@@H+](C)CC1 ZINC000647595063 419619759 /nfs/dbraw/zinc/61/97/59/419619759.db2.gz LMNMSXAWJUUUCC-SDDRHHMPSA-N 2 1 296.415 -0.005 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000647597729 419620265 /nfs/dbraw/zinc/62/02/65/419620265.db2.gz KBNWLWRHXLNOFD-HBNTYKKESA-N 2 1 270.377 -0.561 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000332241814 419661971 /nfs/dbraw/zinc/66/19/71/419661971.db2.gz AKVQVHURVAESGM-CYBMUJFWSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H](CN1CCOCC1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000647828799 419664009 /nfs/dbraw/zinc/66/40/09/419664009.db2.gz ZEMCULXNSKNOJQ-KGLIPLIRSA-N 2 1 298.431 -0.506 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000647828573 419664347 /nfs/dbraw/zinc/66/43/47/419664347.db2.gz MVTHAJUBIFQYBU-ZIAGYGMSSA-N 2 1 299.415 -0.031 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000331503642 419664321 /nfs/dbraw/zinc/66/43/21/419664321.db2.gz SLOUMKIVZZUBGI-CHWSQXEVSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](CN1CCOCC1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000647828800 419666450 /nfs/dbraw/zinc/66/64/50/419666450.db2.gz ZEMCULXNSKNOJQ-UONOGXRCSA-N 2 1 298.431 -0.506 20 0 CBADMP C[NH2+]CCCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662656269 419669426 /nfs/dbraw/zinc/66/94/26/419669426.db2.gz OUEIOPDYAIBSGX-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655491 419670180 /nfs/dbraw/zinc/67/01/80/419670180.db2.gz IKDBEALTPOHJNX-VXGBXAGGSA-N 2 1 271.361 -0.717 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)CC1(CS(C)(=O)=O)CC1 ZINC000647836157 419670539 /nfs/dbraw/zinc/67/05/39/419670539.db2.gz CWBAEUAMVFUNEB-UHFFFAOYSA-N 2 1 289.445 -0.352 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC1(CS(C)(=O)=O)CC1 ZINC000647836157 419670544 /nfs/dbraw/zinc/67/05/44/419670544.db2.gz CWBAEUAMVFUNEB-UHFFFAOYSA-N 2 1 289.445 -0.352 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000662658779 419671561 /nfs/dbraw/zinc/67/15/61/419671561.db2.gz DTKDHFSVYOEGPF-RYUDHWBXSA-N 2 1 271.361 -0.811 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000662665561 419674597 /nfs/dbraw/zinc/67/45/97/419674597.db2.gz LTMJGDPJAMVOMZ-RDBSUJKOSA-N 2 1 297.399 -0.327 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000647865704 419676522 /nfs/dbraw/zinc/67/65/22/419676522.db2.gz QUYXSDQDSDYOBR-FRRDWIJNSA-N 2 1 257.378 -0.245 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(CC[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000647865704 419676527 /nfs/dbraw/zinc/67/65/27/419676527.db2.gz QUYXSDQDSDYOBR-FRRDWIJNSA-N 2 1 257.378 -0.245 20 0 CBADMP CN1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)[C@@H](C[NH3+])C1 ZINC000647873516 419679301 /nfs/dbraw/zinc/67/93/01/419679301.db2.gz UYDHXLGDBPGIJB-WDEREUQCSA-N 2 1 277.372 -0.069 20 0 CBADMP C[N@@H+](CCCNC(=O)C1(O)C[NH2+]C1)Cc1ccccc1 ZINC000662672370 419679487 /nfs/dbraw/zinc/67/94/87/419679487.db2.gz UDVWWBAMEFDUOD-UHFFFAOYSA-N 2 1 277.368 -0.041 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)CC2([NH3+])CC2)CC1 ZINC000662682745 419680013 /nfs/dbraw/zinc/68/00/13/419680013.db2.gz SWXXFDJNXYVXRR-UHFFFAOYSA-N 2 1 296.415 -0.025 20 0 CBADMP C[C@H](CNC(=O)C1(O)C[NH2+]C1)[N@H+]1CCCC[C@@H]1C ZINC000662680381 419680822 /nfs/dbraw/zinc/68/08/22/419680822.db2.gz SURSVNILMKHMGU-WDEREUQCSA-N 2 1 255.362 -0.300 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662682326 419681365 /nfs/dbraw/zinc/68/13/65/419681365.db2.gz RJZRLRGGGHAZEY-WOPDTQHZSA-N 2 1 255.362 -0.192 20 0 CBADMP O=C(NC1CC1)[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000647879558 419683228 /nfs/dbraw/zinc/68/32/28/419683228.db2.gz NYEQFQKDIKZMJK-ZDUSSCGKSA-N 2 1 266.389 -0.365 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CCO1 ZINC000647877246 419684364 /nfs/dbraw/zinc/68/43/64/419684364.db2.gz MCNCOIDOFPMGQZ-RWMBFGLXSA-N 2 1 284.404 -0.803 20 0 CBADMP CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647877269 419684729 /nfs/dbraw/zinc/68/47/29/419684729.db2.gz MUNBTRJXHCCXFI-NWDGAFQWSA-N 2 1 275.418 0.000 20 0 CBADMP CS(=O)(=O)NC[C@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647877269 419684733 /nfs/dbraw/zinc/68/47/33/419684733.db2.gz MUNBTRJXHCCXFI-NWDGAFQWSA-N 2 1 275.418 0.000 20 0 CBADMP C[C@H](O)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)CO ZINC000338357746 419689979 /nfs/dbraw/zinc/68/99/79/419689979.db2.gz LDEZOZZBFJWBSU-STQMWFEESA-N 2 1 287.404 -0.786 20 0 CBADMP C[C@H](O)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)CO ZINC000338357746 419689990 /nfs/dbraw/zinc/68/99/90/419689990.db2.gz LDEZOZZBFJWBSU-STQMWFEESA-N 2 1 287.404 -0.786 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647941199 419690175 /nfs/dbraw/zinc/69/01/75/419690175.db2.gz DOYXXYDKLATVII-OLZOCXBDSA-N 3 1 268.405 -0.085 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H]1CC[NH2+]C1 ZINC000647941199 419690183 /nfs/dbraw/zinc/69/01/83/419690183.db2.gz DOYXXYDKLATVII-OLZOCXBDSA-N 2 1 268.405 -0.085 20 0 CBADMP CC[C@@H]1C[N@@H+](CCCS(=O)(=O)NC)CC[C@@H]1[NH3+] ZINC000647936309 419692279 /nfs/dbraw/zinc/69/22/79/419692279.db2.gz BEWRMBSUOLEIOA-MNOVXSKESA-N 2 1 263.407 -0.015 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000662703011 419692342 /nfs/dbraw/zinc/69/23/42/419692342.db2.gz GNVLBTXLVYYXNP-NSHDSACASA-N 2 1 280.376 -0.159 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000662711851 419698232 /nfs/dbraw/zinc/69/82/32/419698232.db2.gz FEXZBKNTZVKHLN-JLLWLGSASA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000662711852 419698778 /nfs/dbraw/zinc/69/87/78/419698778.db2.gz FEXZBKNTZVKHLN-USWWRNFRSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662745105 419707048 /nfs/dbraw/zinc/70/70/48/419707048.db2.gz FNDXHGDNRRZLJM-SNVBAGLBSA-N 2 1 266.349 -0.692 20 0 CBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C1(O)C[NH2+]C1 ZINC000662744166 419707170 /nfs/dbraw/zinc/70/71/70/419707170.db2.gz CBWABGXCVLULQN-LLVKDONJSA-N 2 1 255.362 -0.347 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662758888 419710145 /nfs/dbraw/zinc/71/01/45/419710145.db2.gz PXZDCZSHIZYZAM-VXGBXAGGSA-N 2 1 268.405 -0.264 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000662622848 419652629 /nfs/dbraw/zinc/65/26/29/419652629.db2.gz UUVLCVVVONORKF-WDEREUQCSA-N 2 1 255.362 -0.036 20 0 CBADMP C[NH2+][C@H]1CCN(CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000647809822 419659646 /nfs/dbraw/zinc/65/96/46/419659646.db2.gz XGYNAZDQRPNXGI-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP Cn1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1=O ZINC000647824719 419660473 /nfs/dbraw/zinc/66/04/73/419660473.db2.gz XOYNCNRLOKXTJZ-UHFFFAOYSA-N 2 1 278.356 -0.751 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662800935 419729702 /nfs/dbraw/zinc/72/97/02/419729702.db2.gz HEXJHKJBXYDZFB-NWDGAFQWSA-N 2 1 255.362 -0.097 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000662943915 419786080 /nfs/dbraw/zinc/78/60/80/419786080.db2.gz DSGVXVMYNKZUFR-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000662796861 419731008 /nfs/dbraw/zinc/73/10/08/419731008.db2.gz CUILZYIYVHYQQN-RYUDHWBXSA-N 2 1 271.361 -0.811 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662831996 419741995 /nfs/dbraw/zinc/74/19/95/419741995.db2.gz HXQCCOXSOZSYJL-PEBLQZBPSA-N 2 1 299.415 -0.036 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662831996 419742003 /nfs/dbraw/zinc/74/20/03/419742003.db2.gz HXQCCOXSOZSYJL-PEBLQZBPSA-N 2 1 299.415 -0.036 20 0 CBADMP [NH3+]CCn1cc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)nn1 ZINC000662835726 419743446 /nfs/dbraw/zinc/74/34/46/419743446.db2.gz RVPGGLGRVAQFRF-DGCLKSJQSA-N 2 1 292.387 -0.017 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[NH3+])CC1 ZINC000648152539 419760111 /nfs/dbraw/zinc/76/01/11/419760111.db2.gz CAXVBRJVCLHERG-GFCCVEGCSA-N 2 1 254.378 -0.426 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648161056 419762476 /nfs/dbraw/zinc/76/24/76/419762476.db2.gz RPULJEVUULRQDO-GDNZZTSVSA-N 2 1 253.346 -0.710 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662909258 419765947 /nfs/dbraw/zinc/76/59/47/419765947.db2.gz YZPDZZPNSGDLQO-IHRRRGAJSA-N 2 1 280.416 -0.119 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662906371 419766718 /nfs/dbraw/zinc/76/67/18/419766718.db2.gz IYBLOSGWAOPJHW-VXGBXAGGSA-N 2 1 254.378 -0.510 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662906027 419767086 /nfs/dbraw/zinc/76/70/86/419767086.db2.gz HZRBWLRSVMKYBZ-XQHKEYJVSA-N 2 1 264.373 -0.757 20 0 CBADMP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662907403 419768113 /nfs/dbraw/zinc/76/81/13/419768113.db2.gz UNYXBKAVLXRRRC-ZIAGYGMSSA-N 2 1 296.415 -0.739 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000648177700 419769743 /nfs/dbraw/zinc/76/97/43/419769743.db2.gz OSGTXTGZENKLMB-IJLUTSLNSA-N 2 1 255.362 -0.097 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1COCC[NH2+]1 ZINC000648180477 419771491 /nfs/dbraw/zinc/77/14/91/419771491.db2.gz CYMBOXNSFGKEHQ-MNOVXSKESA-N 2 1 253.346 -0.234 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000662927394 419777081 /nfs/dbraw/zinc/77/70/81/419777081.db2.gz XZUQIJCSFFDCPE-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCC[NH3+])C[C@@H]1C ZINC000662935907 419784900 /nfs/dbraw/zinc/78/49/00/419784900.db2.gz BGYZYJXGRRXQTP-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCC[NH3+])C[C@@H]1C ZINC000662935907 419784908 /nfs/dbraw/zinc/78/49/08/419784908.db2.gz BGYZYJXGRRXQTP-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662775166 419716947 /nfs/dbraw/zinc/71/69/47/419716947.db2.gz ACONPFVGBFXUMN-DCAQKATOSA-N 2 1 263.345 -0.370 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000662776222 419718040 /nfs/dbraw/zinc/71/80/40/419718040.db2.gz IUHBDLWWFIGTMD-QWRGUYRKSA-N 2 1 265.361 -0.109 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662786028 419723236 /nfs/dbraw/zinc/72/32/36/419723236.db2.gz YQUMALXVKSCZLL-NHCYSSNCSA-N 2 1 259.325 -0.490 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[C@H](C)[N@H+]1C ZINC000662975508 419802509 /nfs/dbraw/zinc/80/25/09/419802509.db2.gz IODWLXFWHIEEBZ-QOARYFPJSA-N 2 1 294.399 -0.513 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[C@H](C)[N@@H+]1C ZINC000662975508 419802514 /nfs/dbraw/zinc/80/25/14/419802514.db2.gz IODWLXFWHIEEBZ-QOARYFPJSA-N 2 1 294.399 -0.513 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]CC2(C)C)C1 ZINC000649273364 419858265 /nfs/dbraw/zinc/85/82/65/419858265.db2.gz FOMNPKRAPVZMER-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]CC2(C)C)C1 ZINC000649273364 419858269 /nfs/dbraw/zinc/85/82/69/419858269.db2.gz FOMNPKRAPVZMER-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000518471633 544601477 /nfs/dbraw/zinc/60/14/77/544601477.db2.gz XBYLKIMXNUIVQO-ZIAGYGMSSA-N 2 1 273.421 -0.191 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000648862094 419816271 /nfs/dbraw/zinc/81/62/71/419816271.db2.gz AQXMTPSDCGYXDM-WZRBSPASSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000648862094 419816274 /nfs/dbraw/zinc/81/62/74/419816274.db2.gz AQXMTPSDCGYXDM-WZRBSPASSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000648862094 419816279 /nfs/dbraw/zinc/81/62/79/419816279.db2.gz AQXMTPSDCGYXDM-WZRBSPASSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000518497440 544601647 /nfs/dbraw/zinc/60/16/47/544601647.db2.gz XXSSUUXJIAWFLT-QWHCGFSZSA-N 2 1 283.420 -0.327 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649276299 419858626 /nfs/dbraw/zinc/85/86/26/419858626.db2.gz JQYZDCMZWJKVLD-UTUOFQBUSA-N 2 1 253.346 -0.425 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CC[C@@H]3COC[C@H]3C2)C1=O ZINC000663221588 419829062 /nfs/dbraw/zinc/82/90/62/419829062.db2.gz PRECFBCLGDBTOY-UPJWGTAASA-N 2 1 295.383 -0.356 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CC[C@H]3COC[C@H]3C2)C1=O ZINC000663221590 419829767 /nfs/dbraw/zinc/82/97/67/419829767.db2.gz PRECFBCLGDBTOY-XQQFMLRXSA-N 2 1 295.383 -0.356 20 0 CBADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000649070056 419831693 /nfs/dbraw/zinc/83/16/93/419831693.db2.gz GPUJFHJMYRWWRE-RYUDHWBXSA-N 2 1 282.388 -0.484 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000353580412 419839963 /nfs/dbraw/zinc/83/99/63/419839963.db2.gz TYKHNPRCSQZYAV-KOLCDFICSA-N 2 1 268.361 -0.678 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000353580412 419839965 /nfs/dbraw/zinc/83/99/65/419839965.db2.gz TYKHNPRCSQZYAV-KOLCDFICSA-N 2 1 268.361 -0.678 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CCN2CC[NH2+]CC2)C1 ZINC000649271591 419859489 /nfs/dbraw/zinc/85/94/89/419859489.db2.gz NTLKWLPHNFMBBG-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CCN2CC[NH2+]CC2)C1 ZINC000649271591 419859496 /nfs/dbraw/zinc/85/94/96/419859496.db2.gz NTLKWLPHNFMBBG-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000649348786 419897711 /nfs/dbraw/zinc/89/77/11/419897711.db2.gz UXUNGFSHQRYPKX-PWSUYJOCSA-N 2 1 267.373 -0.036 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649318838 419877765 /nfs/dbraw/zinc/87/77/65/419877765.db2.gz OBDDLIZJXNPICT-WUHRBBMRSA-N 2 1 267.373 -0.321 20 0 CBADMP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649321214 419883114 /nfs/dbraw/zinc/88/31/14/419883114.db2.gz OSIUHMYBAYSDTO-RKQHYHRCSA-N 2 1 279.384 -0.206 20 0 CBADMP CCC[N@H+](CCOCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000357028856 419883924 /nfs/dbraw/zinc/88/39/24/419883924.db2.gz NAKODSUNJBTCOP-NSHDSACASA-N 2 1 264.391 -0.139 20 0 CBADMP CCC[N@@H+](CCOCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000357028856 419883930 /nfs/dbraw/zinc/88/39/30/419883930.db2.gz NAKODSUNJBTCOP-NSHDSACASA-N 2 1 264.391 -0.139 20 0 CBADMP CC1(OCC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[NH2+]C1 ZINC000649322896 419884706 /nfs/dbraw/zinc/88/47/06/419884706.db2.gz UYMVWDDHPMPNNL-GFCCVEGCSA-N 2 1 267.373 -0.035 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)COC2(C)C[NH2+]C2)C1 ZINC000649323563 419888365 /nfs/dbraw/zinc/88/83/65/419888365.db2.gz CIRNGZLNVCSCIQ-NSHDSACASA-N 2 1 271.361 -0.798 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649286921 419860566 /nfs/dbraw/zinc/86/05/66/419860566.db2.gz NWVNZZVXIKUZIE-ITGUQSILSA-N 2 1 267.373 -0.368 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCOCC1 ZINC000649285003 419863421 /nfs/dbraw/zinc/86/34/21/419863421.db2.gz SFVXYXBERKCPTR-RQJABVFESA-N 2 1 281.400 -0.075 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000358517044 419898973 /nfs/dbraw/zinc/89/89/73/419898973.db2.gz CCIUYQSIMXPMCT-NSHDSACASA-N 2 1 260.382 -0.450 20 0 CBADMP C[C@@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1nccn1C ZINC000667246159 544657762 /nfs/dbraw/zinc/65/77/62/544657762.db2.gz APSZXKPZNBCINQ-GRYCIOLGSA-N 2 1 293.371 -0.059 20 0 CBADMP Cc1[nH+]cc(CN2CC[C@@H](NS(C)(=O)=O)C2)n1C ZINC000667654790 544668633 /nfs/dbraw/zinc/66/86/33/544668633.db2.gz KQDIWLVPXCROMH-SNVBAGLBSA-N 2 1 272.374 -0.148 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N1 ZINC000667811781 544673440 /nfs/dbraw/zinc/67/34/40/544673440.db2.gz WDVWJBIAPDZRIM-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000649410778 419910446 /nfs/dbraw/zinc/91/04/46/419910446.db2.gz RRSMPXQLPFSCDZ-MELADBBJSA-N 2 1 298.431 -0.413 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000358728607 419914354 /nfs/dbraw/zinc/91/43/54/419914354.db2.gz YIQSJFKHGHIETM-BZPMIXESSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000358728607 419914360 /nfs/dbraw/zinc/91/43/60/419914360.db2.gz YIQSJFKHGHIETM-BZPMIXESSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000358728607 419914364 /nfs/dbraw/zinc/91/43/64/419914364.db2.gz YIQSJFKHGHIETM-BZPMIXESSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000358728608 419915119 /nfs/dbraw/zinc/91/51/19/419915119.db2.gz YIQSJFKHGHIETM-DYEKYZERSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000358728608 419915122 /nfs/dbraw/zinc/91/51/22/419915122.db2.gz YIQSJFKHGHIETM-DYEKYZERSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000358728608 419915126 /nfs/dbraw/zinc/91/51/26/419915126.db2.gz YIQSJFKHGHIETM-DYEKYZERSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000358728614 419915585 /nfs/dbraw/zinc/91/55/85/419915585.db2.gz YIQSJFKHGHIETM-YRGRVCCFSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000358728614 419915592 /nfs/dbraw/zinc/91/55/92/419915592.db2.gz YIQSJFKHGHIETM-YRGRVCCFSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000358728614 419915596 /nfs/dbraw/zinc/91/55/96/419915596.db2.gz YIQSJFKHGHIETM-YRGRVCCFSA-N 2 1 284.404 -0.165 20 0 CBADMP CO[C@@H]1CN(CC[C@H](C)[N@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664778555 419915598 /nfs/dbraw/zinc/91/55/98/419915598.db2.gz RKSABLZALPJSDY-RYMFRWLXSA-N 2 1 288.388 -0.852 20 0 CBADMP CO[C@@H]1CN([C@@H](C)CC[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664778555 419915604 /nfs/dbraw/zinc/91/56/04/419915604.db2.gz RKSABLZALPJSDY-RYMFRWLXSA-N 2 1 288.388 -0.852 20 0 CBADMP CO[C@@H]1CN([C@@H](C)CC[N@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664778555 419915611 /nfs/dbraw/zinc/91/56/11/419915611.db2.gz RKSABLZALPJSDY-RYMFRWLXSA-N 2 1 288.388 -0.852 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](C)[NH3+])C1 ZINC000668727726 544719767 /nfs/dbraw/zinc/71/97/67/544719767.db2.gz PYTWJQBEIQBIGA-NEPJUHHUSA-N 2 1 272.393 -0.010 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000669402975 544747757 /nfs/dbraw/zinc/74/77/57/544747757.db2.gz CNKDWAGIZNOXLQ-KGLIPLIRSA-N 2 1 295.431 -0.230 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000669402974 544748384 /nfs/dbraw/zinc/74/83/84/544748384.db2.gz CNKDWAGIZNOXLQ-KBPBESRZSA-N 2 1 295.431 -0.230 20 0 CBADMP CN1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)[C@@H](C[NH3+])C1 ZINC000669403090 544749494 /nfs/dbraw/zinc/74/94/94/544749494.db2.gz ISZQIRQDZQPWEF-RYUDHWBXSA-N 2 1 269.393 -0.635 20 0 CBADMP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCO1 ZINC000669491118 544751484 /nfs/dbraw/zinc/75/14/84/544751484.db2.gz MJBCDUVREGBCEK-QWHCGFSZSA-N 2 1 282.388 -0.160 20 0 CBADMP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000669513960 544752858 /nfs/dbraw/zinc/75/28/58/544752858.db2.gz HZABPPLJOHZABW-CHWSQXEVSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@H]1C[N@H+](C)CCO1 ZINC000669538148 544753049 /nfs/dbraw/zinc/75/30/49/544753049.db2.gz AGTVVJLSAJCZJR-GRYCIOLGSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538148 544753051 /nfs/dbraw/zinc/75/30/51/544753051.db2.gz AGTVVJLSAJCZJR-GRYCIOLGSA-N 2 1 270.377 -0.243 20 0 CBADMP C[NH+](C)CCN1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000649684736 419923369 /nfs/dbraw/zinc/92/33/69/419923369.db2.gz ADHINJTTWSXEGZ-AWEZNQCLSA-N 2 1 298.431 -0.853 20 0 CBADMP CC[N@@H+](CCNC(=O)NC[C@@]1(O)CC[NH+](C)C1)C1CC1 ZINC000358727729 419916575 /nfs/dbraw/zinc/91/65/75/419916575.db2.gz WNZBCLJOFVNXRQ-AWEZNQCLSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[NH+](CCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000358727729 419916581 /nfs/dbraw/zinc/91/65/81/419916581.db2.gz WNZBCLJOFVNXRQ-AWEZNQCLSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[NH+](CCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000358727729 419916587 /nfs/dbraw/zinc/91/65/87/419916587.db2.gz WNZBCLJOFVNXRQ-AWEZNQCLSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+](C)CCN1CC[N@H+](CC2(O)CCOCC2)CC1=O ZINC000649686054 419924509 /nfs/dbraw/zinc/92/45/09/419924509.db2.gz WSZAJIWJBXYWJP-UHFFFAOYSA-N 2 1 285.388 -0.766 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](CC2(O)CCOCC2)CC1=O ZINC000649686054 419924514 /nfs/dbraw/zinc/92/45/14/419924514.db2.gz WSZAJIWJBXYWJP-UHFFFAOYSA-N 2 1 285.388 -0.766 20 0 CBADMP Cc1nccn1CCCC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665047754 419926318 /nfs/dbraw/zinc/92/63/18/419926318.db2.gz OSDUNDHDYJOSID-NEPJUHHUSA-N 2 1 266.345 -0.108 20 0 CBADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665047754 419926327 /nfs/dbraw/zinc/92/63/27/419926327.db2.gz OSDUNDHDYJOSID-NEPJUHHUSA-N 2 1 266.345 -0.108 20 0 CBADMP C[C@H](CCO)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000649870458 419935359 /nfs/dbraw/zinc/93/53/59/419935359.db2.gz AAFHYTQLGWIIDU-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@H](CCO)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000649870458 419935364 /nfs/dbraw/zinc/93/53/64/419935364.db2.gz AAFHYTQLGWIIDU-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292097 419938952 /nfs/dbraw/zinc/93/89/52/419938952.db2.gz SGSIAIJWVHLORH-WPRPVWTQSA-N 2 1 251.334 -0.319 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCO ZINC000665636522 419959725 /nfs/dbraw/zinc/95/97/25/419959725.db2.gz BCBRMUYSBWANCS-NSHDSACASA-N 2 1 260.382 -0.450 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCO ZINC000665636522 419959726 /nfs/dbraw/zinc/95/97/26/419959726.db2.gz BCBRMUYSBWANCS-NSHDSACASA-N 2 1 260.382 -0.450 20 0 CBADMP C[N@@H+]1CCC[C@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000650724999 419966089 /nfs/dbraw/zinc/96/60/89/419966089.db2.gz QTMRRWKKLJLCRQ-WCQYABFASA-N 2 1 282.388 -0.459 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000650724999 419966098 /nfs/dbraw/zinc/96/60/98/419966098.db2.gz QTMRRWKKLJLCRQ-WCQYABFASA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+]1CCC[C@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000650724999 419966103 /nfs/dbraw/zinc/96/61/03/419966103.db2.gz QTMRRWKKLJLCRQ-WCQYABFASA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+]1CCC[C@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000650724999 419966106 /nfs/dbraw/zinc/96/61/06/419966106.db2.gz QTMRRWKKLJLCRQ-WCQYABFASA-N 2 1 282.388 -0.459 20 0 CBADMP C[N@@H+]1CCC[C@@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000650724998 419967274 /nfs/dbraw/zinc/96/72/74/419967274.db2.gz QTMRRWKKLJLCRQ-DGCLKSJQSA-N 2 1 282.388 -0.459 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000650724998 419967277 /nfs/dbraw/zinc/96/72/77/419967277.db2.gz QTMRRWKKLJLCRQ-DGCLKSJQSA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+]1CCC[C@@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000650724998 419967283 /nfs/dbraw/zinc/96/72/83/419967283.db2.gz QTMRRWKKLJLCRQ-DGCLKSJQSA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+]1CCC[C@@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000650724998 419967286 /nfs/dbraw/zinc/96/72/86/419967286.db2.gz QTMRRWKKLJLCRQ-DGCLKSJQSA-N 2 1 282.388 -0.459 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000360108676 420003114 /nfs/dbraw/zinc/00/31/14/420003114.db2.gz ADUHKTMGEOQGOI-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000360108676 420003118 /nfs/dbraw/zinc/00/31/18/420003118.db2.gz ADUHKTMGEOQGOI-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000360108676 420003121 /nfs/dbraw/zinc/00/31/21/420003121.db2.gz ADUHKTMGEOQGOI-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCOC)C1 ZINC000360108676 420003127 /nfs/dbraw/zinc/00/31/27/420003127.db2.gz ADUHKTMGEOQGOI-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672308628 544851627 /nfs/dbraw/zinc/85/16/27/544851627.db2.gz VPQKTOKFEBLUJB-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000364213901 420032007 /nfs/dbraw/zinc/03/20/07/420032007.db2.gz JNGOSWBUICJCFQ-FDYHWXHSSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000364213906 420032648 /nfs/dbraw/zinc/03/26/48/420032648.db2.gz JNGOSWBUICJCFQ-WUHRBBMRSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@H](C(=O)N1CC[NH+]2CCC1CC2)N1CC[NH+](C)CC1 ZINC000364568651 420042277 /nfs/dbraw/zinc/04/22/77/420042277.db2.gz WUOXEQOXRHTUPN-CYBMUJFWSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652236931 420054043 /nfs/dbraw/zinc/05/40/43/420054043.db2.gz DBWKULMYBLKDDI-UHFFFAOYSA-N 2 1 272.393 -0.271 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000365105206 420055099 /nfs/dbraw/zinc/05/50/99/420055099.db2.gz NKEJSYXJZBKSRJ-GWNIPJSYSA-N 2 1 267.373 -0.038 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365327307 420061501 /nfs/dbraw/zinc/06/15/01/420061501.db2.gz QBFASUNBUKHKGP-SDDRHHMPSA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000365601433 420063350 /nfs/dbraw/zinc/06/33/50/420063350.db2.gz IOLGSPYEAWBEQK-XQQFMLRXSA-N 2 1 283.372 -0.704 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000365601433 420063354 /nfs/dbraw/zinc/06/33/54/420063354.db2.gz IOLGSPYEAWBEQK-XQQFMLRXSA-N 2 1 283.372 -0.704 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000365601433 420063357 /nfs/dbraw/zinc/06/33/57/420063357.db2.gz IOLGSPYEAWBEQK-XQQFMLRXSA-N 2 1 283.372 -0.704 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000365601433 420063361 /nfs/dbraw/zinc/06/33/61/420063361.db2.gz IOLGSPYEAWBEQK-XQQFMLRXSA-N 2 1 283.372 -0.704 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000365601430 420064087 /nfs/dbraw/zinc/06/40/87/420064087.db2.gz IOLGSPYEAWBEQK-AGIUHOORSA-N 2 1 283.372 -0.704 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000365601430 420064089 /nfs/dbraw/zinc/06/40/89/420064089.db2.gz IOLGSPYEAWBEQK-AGIUHOORSA-N 2 1 283.372 -0.704 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000365601430 420064092 /nfs/dbraw/zinc/06/40/92/420064092.db2.gz IOLGSPYEAWBEQK-AGIUHOORSA-N 2 1 283.372 -0.704 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000365601430 420064096 /nfs/dbraw/zinc/06/40/96/420064096.db2.gz IOLGSPYEAWBEQK-AGIUHOORSA-N 2 1 283.372 -0.704 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367288060 420101169 /nfs/dbraw/zinc/10/11/69/420101169.db2.gz UUGPWKBIACHZQQ-IUCAKERBSA-N 2 1 263.288 -0.570 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367288055 420101326 /nfs/dbraw/zinc/10/13/26/420101326.db2.gz UUGPWKBIACHZQQ-BDAKNGLRSA-N 2 1 263.288 -0.570 20 0 CBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H](C)C[NH3+])CC2)C1 ZINC000367642048 420112816 /nfs/dbraw/zinc/11/28/16/420112816.db2.gz GOWDDVQINQNLRX-UONOGXRCSA-N 2 1 298.431 -0.554 20 0 CBADMP CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H](C)C[NH3+])CC2)C1 ZINC000367642048 420112818 /nfs/dbraw/zinc/11/28/18/420112818.db2.gz GOWDDVQINQNLRX-UONOGXRCSA-N 2 1 298.431 -0.554 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653112344 420117004 /nfs/dbraw/zinc/11/70/04/420117004.db2.gz VWDBVSWILWJWDD-GVXVVHGQSA-N 2 1 253.346 -0.567 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653105496 420117671 /nfs/dbraw/zinc/11/76/71/420117671.db2.gz YRVCOBVXEGMRLJ-JSGCOSHPSA-N 2 1 283.372 -0.939 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111385 420117778 /nfs/dbraw/zinc/11/77/78/420117778.db2.gz NQSWFYUJVZRXGH-XPCVCDNBSA-N 2 1 279.384 -0.035 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653117673 420118215 /nfs/dbraw/zinc/11/82/15/420118215.db2.gz SMXKZEBLJVXSQX-OBJOEFQTSA-N 2 1 283.372 -0.941 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H](N)CC[NH+](C)C)C1CC1 ZINC000653115053 420118851 /nfs/dbraw/zinc/11/88/51/420118851.db2.gz AWXXCSCTNUPBMG-GFCCVEGCSA-N 2 1 256.394 -0.134 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653114127 420120974 /nfs/dbraw/zinc/12/09/74/420120974.db2.gz ZCODSBHEOOEZBL-OBJOEFQTSA-N 2 1 267.373 -0.320 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000368041837 420122571 /nfs/dbraw/zinc/12/25/71/420122571.db2.gz CQYFVRLVLPJHLZ-GARJFASQSA-N 2 1 259.325 -0.477 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000368041837 420122576 /nfs/dbraw/zinc/12/25/76/420122576.db2.gz CQYFVRLVLPJHLZ-GARJFASQSA-N 2 1 259.325 -0.477 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653155730 420124213 /nfs/dbraw/zinc/12/42/13/420124213.db2.gz DLHCRWUNNYPHNF-GFCCVEGCSA-N 2 1 256.394 -0.182 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000652695086 420071928 /nfs/dbraw/zinc/07/19/28/420071928.db2.gz MWXDSGRFWBCEMU-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000652694799 420072052 /nfs/dbraw/zinc/07/20/52/420072052.db2.gz HMYYLNBCIFYCRA-ZDUSSCGKSA-N 2 1 298.431 -0.066 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000652695653 420072535 /nfs/dbraw/zinc/07/25/35/420072535.db2.gz YFJMBSMFQWHLDA-LBPRGKRZSA-N 2 1 284.404 -0.441 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000652698802 420074036 /nfs/dbraw/zinc/07/40/36/420074036.db2.gz KQBJEQMUDSPHQQ-GFCCVEGCSA-N 2 1 286.420 -0.066 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000652705257 420074945 /nfs/dbraw/zinc/07/49/45/420074945.db2.gz CMGGZJNMMJCWBQ-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000652700389 420076084 /nfs/dbraw/zinc/07/60/84/420076084.db2.gz QKGQPDLMOMZBHT-ZDUSSCGKSA-N 2 1 298.431 -0.066 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652714212 420077528 /nfs/dbraw/zinc/07/75/28/420077528.db2.gz GQDBLHOHDRTPGL-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652733735 420078676 /nfs/dbraw/zinc/07/86/76/420078676.db2.gz OVIOBKKTMKMHRI-UHFFFAOYSA-N 2 1 293.371 -0.576 20 0 CBADMP CN1CCN(C(=O)CN2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366483447 420086891 /nfs/dbraw/zinc/08/68/91/420086891.db2.gz POHREBYLERKUDR-HNNXBMFYSA-N 3 1 280.416 -0.212 20 0 CBADMP C[N@@H+]1CC[C@]2(CCN(CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC000366483447 420086894 /nfs/dbraw/zinc/08/68/94/420086894.db2.gz POHREBYLERKUDR-HNNXBMFYSA-N 2 1 280.416 -0.212 20 0 CBADMP C[N@H+]1CC[C@]2(CCN(CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC000366483447 420086899 /nfs/dbraw/zinc/08/68/99/420086899.db2.gz POHREBYLERKUDR-HNNXBMFYSA-N 2 1 280.416 -0.212 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366485466 420086964 /nfs/dbraw/zinc/08/69/64/420086964.db2.gz WIAXEDWSVHVBMY-CQSZACIVSA-N 2 1 283.372 -0.307 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366485466 420086968 /nfs/dbraw/zinc/08/69/68/420086968.db2.gz WIAXEDWSVHVBMY-CQSZACIVSA-N 2 1 283.372 -0.307 20 0 CBADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCC(=O)NC(N)=O)C2)C1 ZINC000366481131 420087893 /nfs/dbraw/zinc/08/78/93/420087893.db2.gz KQOJKYXBCDYPBZ-CYBMUJFWSA-N 2 1 268.361 -0.011 20 0 CBADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCC(=O)NC(N)=O)C2)C1 ZINC000366481131 420087896 /nfs/dbraw/zinc/08/78/96/420087896.db2.gz KQOJKYXBCDYPBZ-CYBMUJFWSA-N 2 1 268.361 -0.011 20 0 CBADMP NC(=O)[C@@]1(O)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000370599286 420183083 /nfs/dbraw/zinc/18/30/83/420183083.db2.gz WULXZLMRCVZCFC-CYBMUJFWSA-N 2 1 255.362 -0.216 20 0 CBADMP NC(=O)[C@@]1(O)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000370599286 420183085 /nfs/dbraw/zinc/18/30/85/420183085.db2.gz WULXZLMRCVZCFC-CYBMUJFWSA-N 2 1 255.362 -0.216 20 0 CBADMP CC[N@@H+](C)C[C@H](O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000381034828 420198651 /nfs/dbraw/zinc/19/86/51/420198651.db2.gz UGNVGSQSQUNOSV-LBPRGKRZSA-N 2 1 253.350 -0.157 20 0 CBADMP C[N@H+](CCc1cn[nH]c1)CC(=O)N1CC[NH2+]CC1 ZINC000381298753 420198712 /nfs/dbraw/zinc/19/87/12/420198712.db2.gz BRFFTPCPYYOCBX-UHFFFAOYSA-N 2 1 251.334 -0.684 20 0 CBADMP C[N@@H+](CCc1cn[nH]c1)CC(=O)N1CC[NH2+]CC1 ZINC000381298753 420198716 /nfs/dbraw/zinc/19/87/16/420198716.db2.gz BRFFTPCPYYOCBX-UHFFFAOYSA-N 2 1 251.334 -0.684 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000380574165 420199365 /nfs/dbraw/zinc/19/93/65/420199365.db2.gz UTVGTTQDYNRDGD-CYBMUJFWSA-N 2 1 283.376 -0.531 20 0 CBADMP CC[C@](C)([NH3+])c1cn(C[C@H](O)C[N@@H+](C)CCOC)nn1 ZINC000384183309 420201757 /nfs/dbraw/zinc/20/17/57/420201757.db2.gz RAXBVCJTVYBONK-YPMHNXCESA-N 2 1 285.392 -0.199 20 0 CBADMP Cc1cc(C)n(CC[N@@H+](C)CC(=O)N2CC[NH2+]CC2)n1 ZINC000386806977 420203352 /nfs/dbraw/zinc/20/33/52/420203352.db2.gz CVMMHDCBTOJWAJ-UHFFFAOYSA-N 2 1 279.388 -0.136 20 0 CBADMP Cc1cc(C)n(CC[N@H+](C)CC(=O)N2CC[NH2+]CC2)n1 ZINC000386806977 420203356 /nfs/dbraw/zinc/20/33/56/420203356.db2.gz CVMMHDCBTOJWAJ-UHFFFAOYSA-N 2 1 279.388 -0.136 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)CO ZINC000653617701 420151660 /nfs/dbraw/zinc/15/16/60/420151660.db2.gz WNOQSTZKPPDHBG-STQMWFEESA-N 2 1 260.378 -0.228 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H](C)C[C@H]1C(N)=O ZINC000653625952 420151907 /nfs/dbraw/zinc/15/19/07/420151907.db2.gz YHPPYNMTWSPDPE-SRVKXCTJSA-N 2 1 257.378 -0.115 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](n2cncn2)C1 ZINC000653623644 420152415 /nfs/dbraw/zinc/15/24/15/420152415.db2.gz KMEBGCWWQVEFNR-NWDGAFQWSA-N 2 1 253.350 -0.163 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCN([C@H]2CCOC2)CC1 ZINC000653589302 420153465 /nfs/dbraw/zinc/15/34/65/420153465.db2.gz GGUALEKFMICOBY-UONOGXRCSA-N 2 1 271.405 -0.295 20 0 CBADMP CC[N@H+](C)C[C@@H](O)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000653589302 420153471 /nfs/dbraw/zinc/15/34/71/420153471.db2.gz GGUALEKFMICOBY-UONOGXRCSA-N 2 1 271.405 -0.295 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000653589302 420153480 /nfs/dbraw/zinc/15/34/80/420153480.db2.gz GGUALEKFMICOBY-UONOGXRCSA-N 2 1 271.405 -0.295 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CCO)C(C)(C)C1 ZINC000653633289 420155497 /nfs/dbraw/zinc/15/54/97/420155497.db2.gz XZOYPWNORCPKBP-ZDUSSCGKSA-N 2 1 273.421 -0.313 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000653633289 420155499 /nfs/dbraw/zinc/15/54/99/420155499.db2.gz XZOYPWNORCPKBP-ZDUSSCGKSA-N 2 1 273.421 -0.313 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000653633289 420155504 /nfs/dbraw/zinc/15/55/04/420155504.db2.gz XZOYPWNORCPKBP-ZDUSSCGKSA-N 2 1 273.421 -0.313 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](CO)(COC)C1 ZINC000653755102 420160342 /nfs/dbraw/zinc/16/03/42/420160342.db2.gz CHYDATRNBMTGDL-STQMWFEESA-N 2 1 260.378 -0.370 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](CO)(COC)C1 ZINC000653755102 420160346 /nfs/dbraw/zinc/16/03/46/420160346.db2.gz CHYDATRNBMTGDL-STQMWFEESA-N 2 1 260.378 -0.370 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](CO)(COC)C1 ZINC000653755102 420160352 /nfs/dbraw/zinc/16/03/52/420160352.db2.gz CHYDATRNBMTGDL-STQMWFEESA-N 2 1 260.378 -0.370 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](CO)(COC)C1 ZINC000653755102 420160356 /nfs/dbraw/zinc/16/03/56/420160356.db2.gz CHYDATRNBMTGDL-STQMWFEESA-N 2 1 260.378 -0.370 20 0 CBADMP C[NH+]1CCC(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654350520 420174219 /nfs/dbraw/zinc/17/42/19/420174219.db2.gz KGGAYPFLEMZGAG-QWHCGFSZSA-N 2 1 282.388 -0.459 20 0 CBADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654444883 420178691 /nfs/dbraw/zinc/17/86/91/420178691.db2.gz FGPWORXHTAQAJX-KWCYVHTRSA-N 2 1 294.399 -0.317 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654444883 420178694 /nfs/dbraw/zinc/17/86/94/420178694.db2.gz FGPWORXHTAQAJX-KWCYVHTRSA-N 2 1 294.399 -0.317 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654444883 420178696 /nfs/dbraw/zinc/17/86/96/420178696.db2.gz FGPWORXHTAQAJX-KWCYVHTRSA-N 2 1 294.399 -0.317 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000654460823 420180373 /nfs/dbraw/zinc/18/03/73/420180373.db2.gz AZHQMRXVKMASBD-YIYPIFLZSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000654460823 420180379 /nfs/dbraw/zinc/18/03/79/420180379.db2.gz AZHQMRXVKMASBD-YIYPIFLZSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000654460823 420180383 /nfs/dbraw/zinc/18/03/83/420180383.db2.gz AZHQMRXVKMASBD-YIYPIFLZSA-N 2 1 296.415 -0.071 20 0 CBADMP O=C1CCC(=O)N1CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000405347978 420226570 /nfs/dbraw/zinc/22/65/70/420226570.db2.gz WOXFAJDSURGQFG-NSHDSACASA-N 2 1 269.345 -0.818 20 0 CBADMP O[C@@H](Cn1cc([C@@H]2CCC[NH2+]C2)nn1)C[NH+]1CCOCC1 ZINC000405092971 420227079 /nfs/dbraw/zinc/22/70/79/420227079.db2.gz QUAJFRZMLUXTQF-CHWSQXEVSA-N 2 1 295.387 -0.562 20 0 CBADMP O=C1CCC(=O)N1CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000405347977 420227143 /nfs/dbraw/zinc/22/71/43/420227143.db2.gz WOXFAJDSURGQFG-LLVKDONJSA-N 2 1 269.345 -0.818 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000405075889 420227229 /nfs/dbraw/zinc/22/72/29/420227229.db2.gz JPABICXJVCOPKO-STQMWFEESA-N 2 1 297.403 -0.316 20 0 CBADMP O[C@H](Cn1cc([C@@H]2CCC[NH2+]C2)nn1)C[NH+]1CCOCC1 ZINC000405092972 420227331 /nfs/dbraw/zinc/22/73/31/420227331.db2.gz QUAJFRZMLUXTQF-OLZOCXBDSA-N 2 1 295.387 -0.562 20 0 CBADMP O=C([C@H]1CCC[NH+]1C1CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655294613 420237259 /nfs/dbraw/zinc/23/72/59/420237259.db2.gz CUGDCAMYFCKPQG-BFHYXJOUSA-N 2 1 279.384 -0.109 20 0 CBADMP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655294613 420237261 /nfs/dbraw/zinc/23/72/61/420237261.db2.gz CUGDCAMYFCKPQG-BFHYXJOUSA-N 2 1 279.384 -0.109 20 0 CBADMP O=C([C@H]1CCC[N@H+]1C1CC1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655294613 420237268 /nfs/dbraw/zinc/23/72/68/420237268.db2.gz CUGDCAMYFCKPQG-BFHYXJOUSA-N 2 1 279.384 -0.109 20 0 CBADMP CCC[C@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C ZINC000655297428 420241123 /nfs/dbraw/zinc/24/11/23/420241123.db2.gz ZAIIJCWIZOYRIK-YNEHKIRRSA-N 2 1 269.389 -0.006 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000417720022 420241647 /nfs/dbraw/zinc/24/16/47/420241647.db2.gz XDOARFBPBQHUOF-NWDGAFQWSA-N 2 1 270.377 -0.160 20 0 CBADMP CC[NH2+]CCNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000418320843 420241995 /nfs/dbraw/zinc/24/19/95/420241995.db2.gz WNVGXXSSSYFLCZ-LLVKDONJSA-N 2 1 258.366 -0.696 20 0 CBADMP CC[NH2+]CCNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000418320843 420242000 /nfs/dbraw/zinc/24/20/00/420242000.db2.gz WNVGXXSSSYFLCZ-LLVKDONJSA-N 2 1 258.366 -0.696 20 0 CBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419156081 420243081 /nfs/dbraw/zinc/24/30/81/420243081.db2.gz UPTRQVXXZYJFOP-VXGBXAGGSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[N@@H+](C)C1CC1 ZINC000419576846 420245392 /nfs/dbraw/zinc/24/53/92/420245392.db2.gz CNASCCTZLXHGIE-GRYCIOLGSA-N 2 1 296.415 -0.206 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N(C)CC[NH2+]C)C1CC1 ZINC000419523613 420246322 /nfs/dbraw/zinc/24/63/22/420246322.db2.gz OTOFFMUFSWTOHG-UHFFFAOYSA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000419560496 420246587 /nfs/dbraw/zinc/24/65/87/420246587.db2.gz RAPAMRCJJAYMMO-XQHKEYJVSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@@H]([NH3+])[C@H](C)Nc1cc[nH+]c(N2CCOCC2)n1 ZINC000420254556 420252080 /nfs/dbraw/zinc/25/20/80/420252080.db2.gz ABHJSDVRLHKIJQ-ZJUUUORDSA-N 2 1 251.334 0.461 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N(C)CC[NH2+]C)CC1 ZINC000420335348 420252346 /nfs/dbraw/zinc/25/23/46/420252346.db2.gz IUATXOBRAVXHOK-LBPRGKRZSA-N 2 1 256.394 -0.310 20 0 CBADMP C[C@@H](CNC(=O)CCOC1C[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487568 420255516 /nfs/dbraw/zinc/25/55/16/420255516.db2.gz HWXYZYWWPOJJQH-RWMBFGLXSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@@H](CNC(=O)CCOC1C[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487568 420255519 /nfs/dbraw/zinc/25/55/19/420255519.db2.gz HWXYZYWWPOJJQH-RWMBFGLXSA-N 2 1 299.415 -0.021 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000422972989 420256268 /nfs/dbraw/zinc/25/62/68/420256268.db2.gz NJSQPEVSPQMDLB-UPJWGTAASA-N 2 1 296.415 -0.075 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000422972988 420256327 /nfs/dbraw/zinc/25/63/27/420256327.db2.gz NJSQPEVSPQMDLB-AVGNSLFASA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CC[N@@H+]1C ZINC000423645666 420257136 /nfs/dbraw/zinc/25/71/36/420257136.db2.gz LALRPCJTYPAYBQ-STQMWFEESA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CC[N@H+]1C ZINC000423645666 420257139 /nfs/dbraw/zinc/25/71/39/420257139.db2.gz LALRPCJTYPAYBQ-STQMWFEESA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000423598568 420257749 /nfs/dbraw/zinc/25/77/49/420257749.db2.gz VYJWHNNOSHLDDI-OLZOCXBDSA-N 2 1 296.415 -0.123 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655755287 420270756 /nfs/dbraw/zinc/27/07/56/420270756.db2.gz WEHLWXDHGNMHAI-LSDHHAIUSA-N 2 1 283.416 -0.104 20 0 CBADMP CCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)NC ZINC000429676047 420271320 /nfs/dbraw/zinc/27/13/20/420271320.db2.gz IPODCJHEULRHIT-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)NC ZINC000429676047 420271323 /nfs/dbraw/zinc/27/13/23/420271323.db2.gz IPODCJHEULRHIT-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2([NH3+])CCCC2)C1 ZINC000430895092 420272871 /nfs/dbraw/zinc/27/28/71/420272871.db2.gz RZNLDJIHJPAKLN-LBPRGKRZSA-N 2 1 296.415 -0.039 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655924812 420278842 /nfs/dbraw/zinc/27/88/42/420278842.db2.gz QXAQSKOVPSKSAN-MRVPVSSYSA-N 2 1 286.298 -0.511 20 0 CBADMP C[C@@H](CNC(=O)NCC[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655961704 420282133 /nfs/dbraw/zinc/28/21/33/420282133.db2.gz YTBICSLXEWLJEI-GARJFASQSA-N 2 1 258.366 -0.258 20 0 CBADMP C[C@@H](CNC(=O)NCC[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655961704 420282137 /nfs/dbraw/zinc/28/21/37/420282137.db2.gz YTBICSLXEWLJEI-GARJFASQSA-N 2 1 258.366 -0.258 20 0 CBADMP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963073 420282206 /nfs/dbraw/zinc/28/22/06/420282206.db2.gz GCRKGXIDHVYGAM-RQJABVFESA-N 2 1 296.415 -0.036 20 0 CBADMP C[C@H](CNC(=O)NCC[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655961705 420282797 /nfs/dbraw/zinc/28/27/97/420282797.db2.gz YTBICSLXEWLJEI-MXWKQRLJSA-N 2 1 258.366 -0.258 20 0 CBADMP C[C@H](CNC(=O)NCC[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655961705 420282802 /nfs/dbraw/zinc/28/28/02/420282802.db2.gz YTBICSLXEWLJEI-MXWKQRLJSA-N 2 1 258.366 -0.258 20 0 CBADMP CC(C)[NH2+]CCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963082 420283322 /nfs/dbraw/zinc/28/33/22/420283322.db2.gz ULSPVRZEJKGVLK-QWHCGFSZSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655965508 420284348 /nfs/dbraw/zinc/28/43/48/420284348.db2.gz FJYJPHAEHHDART-WUHRBBMRSA-N 2 1 282.388 -0.555 20 0 CBADMP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655966410 420284684 /nfs/dbraw/zinc/28/46/84/420284684.db2.gz WGVWXWMBIFKKEC-MROQNXINSA-N 2 1 282.388 -0.283 20 0 CBADMP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655968912 420285102 /nfs/dbraw/zinc/28/51/02/420285102.db2.gz AWRCOBSCEDGSDN-ZDEQEGDKSA-N 2 1 282.388 -0.426 20 0 CBADMP C[C@@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H](C)[NH3+] ZINC000655968093 420285259 /nfs/dbraw/zinc/28/52/59/420285259.db2.gz MCDWOASKZYETJM-ZRUFSTJUSA-N 2 1 256.350 -0.818 20 0 CBADMP [NH3+]CC1(CCNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000655969029 420285566 /nfs/dbraw/zinc/28/55/66/420285566.db2.gz LWWLOAHTUYERRS-NWDGAFQWSA-N 2 1 282.388 -0.424 20 0 CBADMP [NH3+]CCCCn1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000656438861 420309641 /nfs/dbraw/zinc/30/96/41/420309641.db2.gz CYGKNTHDIAFHOV-GFCCVEGCSA-N 2 1 253.350 -0.026 20 0 CBADMP [NH3+]CCCCn1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000656438861 420309646 /nfs/dbraw/zinc/30/96/46/420309646.db2.gz CYGKNTHDIAFHOV-GFCCVEGCSA-N 2 1 253.350 -0.026 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](Cn2cc([C@H]([NH3+])CO)nn2)C1 ZINC000656449052 420310224 /nfs/dbraw/zinc/31/02/24/420310224.db2.gz WWKUWSWTYPFVJB-VXGBXAGGSA-N 2 1 283.376 -0.373 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673518551 544875324 /nfs/dbraw/zinc/87/53/24/544875324.db2.gz CKBPJZIITTXMSU-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](Cn1cncn1)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657873042 420364078 /nfs/dbraw/zinc/36/40/78/420364078.db2.gz QXLANAYGROFRPD-CHWSQXEVSA-N 2 1 294.403 -0.156 20 0 CBADMP [NH3+]CCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656019144 420292389 /nfs/dbraw/zinc/29/23/89/420292389.db2.gz AEVXZHQANGMXRE-NWDGAFQWSA-N 2 1 282.388 -0.416 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656019811 420293080 /nfs/dbraw/zinc/29/30/80/420293080.db2.gz KBRNBIDAERYCPM-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656021706 420293888 /nfs/dbraw/zinc/29/38/88/420293888.db2.gz HFWZGZQFBSGFJG-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656019813 420293904 /nfs/dbraw/zinc/29/39/04/420293904.db2.gz KBRNBIDAERYCPM-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH2+]CC1 ZINC000656027773 420294944 /nfs/dbraw/zinc/29/49/44/420294944.db2.gz DQQORJNKCULYMB-OLZOCXBDSA-N 2 1 294.399 -0.449 20 0 CBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656028500 420295088 /nfs/dbraw/zinc/29/50/88/420295088.db2.gz LXEKPCQESZATBP-AGIUHOORSA-N 2 1 294.399 -0.321 20 0 CBADMP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656028506 420295461 /nfs/dbraw/zinc/29/54/61/420295461.db2.gz LXEKPCQESZATBP-XQQFMLRXSA-N 2 1 294.399 -0.321 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCC(=O)NC3CCCC3)CCN2C1=O ZINC000516982050 420370892 /nfs/dbraw/zinc/37/08/92/420370892.db2.gz SLJGRLRWJRKPSM-STQMWFEESA-N 2 1 294.399 -0.321 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCC(=O)NC3CCCC3)CCN2C1=O ZINC000516982050 420370896 /nfs/dbraw/zinc/37/08/96/420370896.db2.gz SLJGRLRWJRKPSM-STQMWFEESA-N 2 1 294.399 -0.321 20 0 CBADMP COC(=O)c1cn([C@H]2CC[N@@H+](CCOCC[NH3+])C2)nn1 ZINC000517236740 420373805 /nfs/dbraw/zinc/37/38/05/420373805.db2.gz NKGVZLGNLPQLGU-JTQLQIEISA-N 2 1 283.332 -0.713 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000517338035 420374114 /nfs/dbraw/zinc/37/41/14/420374114.db2.gz BEYFXGUMXGYHNI-KWCYVHTRSA-N 2 1 295.431 -0.328 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658450415 420377732 /nfs/dbraw/zinc/37/77/32/420377732.db2.gz OFQQBOHKCBMEIG-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000519714262 420387904 /nfs/dbraw/zinc/38/79/04/420387904.db2.gz OZEVSLBLXJJCPO-AEJSXWLSSA-N 2 1 257.334 -0.524 20 0 CBADMP CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000658806652 420389029 /nfs/dbraw/zinc/38/90/29/420389029.db2.gz IBPGJDMSZKPJKE-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCN(C(=O)C(=O)N(C)Cc1c[nH]cn1)[C@H]1CC[N@@H+](C)C1 ZINC000658801744 420389121 /nfs/dbraw/zinc/38/91/21/420389121.db2.gz FQGTXKICIHJEHL-LBPRGKRZSA-N 2 1 293.371 -0.079 20 0 CBADMP CCN(C(=O)C(=O)N(C)Cc1cnc[nH]1)[C@H]1CC[N@H+](C)C1 ZINC000658801744 420389125 /nfs/dbraw/zinc/38/91/25/420389125.db2.gz FQGTXKICIHJEHL-LBPRGKRZSA-N 2 1 293.371 -0.079 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCOC)C2)C1 ZINC000673662641 544882850 /nfs/dbraw/zinc/88/28/50/544882850.db2.gz SLWMYVNOGHEFMU-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCOC)C2)C1 ZINC000673662641 544882853 /nfs/dbraw/zinc/88/28/53/544882853.db2.gz SLWMYVNOGHEFMU-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](CCOC)C2)C1 ZINC000673662641 544882856 /nfs/dbraw/zinc/88/28/56/544882856.db2.gz SLWMYVNOGHEFMU-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCOC)C2)C1 ZINC000673662641 544882860 /nfs/dbraw/zinc/88/28/60/544882860.db2.gz SLWMYVNOGHEFMU-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000673663207 544883209 /nfs/dbraw/zinc/88/32/09/544883209.db2.gz WBOIEHZTGHWTJW-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CC[NH2+]CC1 ZINC000516927190 420366774 /nfs/dbraw/zinc/36/67/74/420366774.db2.gz BJEAQFLBJPJWQI-OKILXGFUSA-N 3 1 280.416 -0.260 20 0 CBADMP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCNCC1 ZINC000516927190 420366779 /nfs/dbraw/zinc/36/67/79/420366779.db2.gz BJEAQFLBJPJWQI-OKILXGFUSA-N 2 1 280.416 -0.260 20 0 CBADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCNCC1 ZINC000516927190 420366784 /nfs/dbraw/zinc/36/67/84/420366784.db2.gz BJEAQFLBJPJWQI-OKILXGFUSA-N 2 1 280.416 -0.260 20 0 CBADMP CC[NH+]1CCN(CC(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000673663210 544884505 /nfs/dbraw/zinc/88/45/05/544884505.db2.gz WBOIEHZTGHWTJW-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CCN1CCN(CC(=O)N[C@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000676348053 544948570 /nfs/dbraw/zinc/94/85/70/544948570.db2.gz NTASWKLVUWYSGJ-ZIAGYGMSSA-N 2 1 298.431 -0.541 20 0 CBADMP C[C@@H](NC(=O)CN1CC[NH+](C)CC1)[C@@H]1CN(C)CCO1 ZINC000676346633 544948725 /nfs/dbraw/zinc/94/87/25/544948725.db2.gz COTQICNFRDWATR-OLZOCXBDSA-N 2 1 284.404 -0.931 20 0 CBADMP C[C@@H](NC(=O)NCCC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676289520 544945909 /nfs/dbraw/zinc/94/59/09/544945909.db2.gz OHFYRUYMRCKTHN-VXGBXAGGSA-N 2 1 272.393 -0.044 20 0 CBADMP C[C@@H](NC(=O)NCCC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676289520 544945914 /nfs/dbraw/zinc/94/59/14/544945914.db2.gz OHFYRUYMRCKTHN-VXGBXAGGSA-N 2 1 272.393 -0.044 20 0 CBADMP [NH3+]CC12CC(C1)CN2C(=O)NCCC[NH+]1CCOCC1 ZINC000659424419 420418944 /nfs/dbraw/zinc/41/89/44/420418944.db2.gz VCOHMUPQAVDSKS-UHFFFAOYSA-N 2 1 282.388 -0.159 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000659434459 420419073 /nfs/dbraw/zinc/41/90/73/420419073.db2.gz NHOBPFYOLSTODI-LLVKDONJSA-N 2 1 285.392 -0.942 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000659451260 420419969 /nfs/dbraw/zinc/41/99/69/420419969.db2.gz DGXFCMJILRADMC-NEPJUHHUSA-N 2 1 271.409 -0.471 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000659453586 420420681 /nfs/dbraw/zinc/42/06/81/420420681.db2.gz OFCLFULUXJPYHK-GHMZBOCLSA-N 2 1 257.382 -0.861 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000659451261 420420829 /nfs/dbraw/zinc/42/08/29/420420829.db2.gz DGXFCMJILRADMC-NWDGAFQWSA-N 2 1 271.409 -0.471 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000659461153 420421419 /nfs/dbraw/zinc/42/14/19/420421419.db2.gz XFHRJMXYRRKUNF-QWHCGFSZSA-N 2 1 285.436 -0.223 20 0 CBADMP C[C@H](NC(=O)N(C)CCC[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000659471136 420421949 /nfs/dbraw/zinc/42/19/49/420421949.db2.gz OAQCTMOLNUCDBY-QWRGUYRKSA-N 2 1 258.366 -0.304 20 0 CBADMP C[C@H](NC(=O)N(C)CCC[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000659471136 420421950 /nfs/dbraw/zinc/42/19/50/420421950.db2.gz OAQCTMOLNUCDBY-QWRGUYRKSA-N 2 1 258.366 -0.304 20 0 CBADMP CC[N@@H+]1CCN(C(=O)[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000677171612 544969260 /nfs/dbraw/zinc/96/92/60/544969260.db2.gz BRCNRPLZZCHZAQ-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+]1CCN(C(=O)[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000677171612 544969262 /nfs/dbraw/zinc/96/92/62/544969262.db2.gz BRCNRPLZZCHZAQ-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)C1 ZINC000659567905 420434638 /nfs/dbraw/zinc/43/46/38/420434638.db2.gz GUFDGSSMRSPWOG-UONOGXRCSA-N 2 1 295.431 -0.230 20 0 CBADMP C[C@@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)C[C@H](C)[N@@H+]1CCO ZINC000659613913 420437518 /nfs/dbraw/zinc/43/75/18/420437518.db2.gz OBCWDYRFTAGKJY-DOOHLRMFSA-N 2 1 296.415 -0.165 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000659545399 420430969 /nfs/dbraw/zinc/43/09/69/420430969.db2.gz LYRSMUNIAPVQFG-MOKVOYLWSA-N 2 1 295.431 -0.136 20 0 CBADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000377569966 230294983 /nfs/dbraw/zinc/29/49/83/230294983.db2.gz DKGSUHXWTWXJMH-SRVKXCTJSA-N 2 1 255.362 -0.144 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659752656 420467954 /nfs/dbraw/zinc/46/79/54/420467954.db2.gz KZIYNTMPPWFTPO-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659752658 420468353 /nfs/dbraw/zinc/46/83/53/420468353.db2.gz KZIYNTMPPWFTPO-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378230639 230316010 /nfs/dbraw/zinc/31/60/10/230316010.db2.gz QAIPHTLLDDVTQJ-UPJWGTAASA-N 2 1 267.373 -0.035 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)C[NH2+]C)C[C@@H]1C ZINC000659755998 420469172 /nfs/dbraw/zinc/46/91/72/420469172.db2.gz PEOYZPHDDUBLHX-SRVKXCTJSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)C[NH2+]C)C[C@@H]1C ZINC000659755998 420469174 /nfs/dbraw/zinc/46/91/74/420469174.db2.gz PEOYZPHDDUBLHX-SRVKXCTJSA-N 2 1 284.404 -0.348 20 0 CBADMP CC1(C)CN(C(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+]1CCO ZINC000659615348 420438901 /nfs/dbraw/zinc/43/89/01/420438901.db2.gz ZHHKBELQZHEFPB-UHFFFAOYSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000659634138 420439773 /nfs/dbraw/zinc/43/97/73/420439773.db2.gz BODSDRDHGBJRPE-UTUOFQBUSA-N 2 1 272.393 -0.309 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000659634346 420440252 /nfs/dbraw/zinc/44/02/52/420440252.db2.gz KESJKOUMOKVQNC-NSHDSACASA-N 2 1 272.393 -0.308 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000659639052 420441634 /nfs/dbraw/zinc/44/16/34/420441634.db2.gz JINMSPMXOJKFJF-STQMWFEESA-N 2 1 285.436 -0.081 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000659638999 420441763 /nfs/dbraw/zinc/44/17/63/420441763.db2.gz XWMUKEAZIJGITQ-LBPRGKRZSA-N 2 1 299.419 -0.600 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+](CCOC)CC1 ZINC000659640980 420442272 /nfs/dbraw/zinc/44/22/72/420442272.db2.gz ZSPLIJUXQGIQDY-NSHDSACASA-N 2 1 258.366 -0.432 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659647559 420442965 /nfs/dbraw/zinc/44/29/65/420442965.db2.gz VGLOHMSVSLLAFV-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000659642071 420443396 /nfs/dbraw/zinc/44/33/96/420443396.db2.gz JCANQHDGGBWKRW-NWDGAFQWSA-N 2 1 272.393 -0.260 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000659673164 420446952 /nfs/dbraw/zinc/44/69/52/420446952.db2.gz HSSBGZUUSYDBMP-GHMZBOCLSA-N 2 1 296.371 -0.277 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@H+]1C ZINC000659679528 420447572 /nfs/dbraw/zinc/44/75/72/420447572.db2.gz ZIPXYXFALHABKP-AKUZOMFGSA-N 2 1 294.399 -0.465 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000659681256 420447650 /nfs/dbraw/zinc/44/76/50/420447650.db2.gz SCRZXPOPZZNZOZ-AGIUHOORSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000659679562 420447868 /nfs/dbraw/zinc/44/78/68/420447868.db2.gz ZLLLFECZEJJACO-BVWOZKJXSA-N 2 1 294.399 -0.547 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000659680216 420448124 /nfs/dbraw/zinc/44/81/24/420448124.db2.gz VLVULEQZKUQWPU-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCn1cc[nH+]c1C ZINC000659690624 420449801 /nfs/dbraw/zinc/44/98/01/420449801.db2.gz PGZXKNLMSCROPZ-SNVBAGLBSA-N 2 1 281.360 -0.578 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659693867 420450966 /nfs/dbraw/zinc/45/09/66/420450966.db2.gz CIXVRSNGCIIINA-CMPLNLGQSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000659694217 420451233 /nfs/dbraw/zinc/45/12/33/420451233.db2.gz RTVJNSHKLSVEEQ-WDEREUQCSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659699107 420452008 /nfs/dbraw/zinc/45/20/08/420452008.db2.gz LKINTTKASRLYFV-QWRGUYRKSA-N 2 1 272.393 -0.443 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000659705227 420452708 /nfs/dbraw/zinc/45/27/08/420452708.db2.gz UIMXLXDZNPGVFP-LBPRGKRZSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000659703732 420453147 /nfs/dbraw/zinc/45/31/47/420453147.db2.gz GAOHEQRTEIRSKY-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000659703733 420453418 /nfs/dbraw/zinc/45/34/18/420453418.db2.gz GAOHEQRTEIRSKY-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[N@@H+](C)C1CC1 ZINC000659701930 420453429 /nfs/dbraw/zinc/45/34/29/420453429.db2.gz KIKPGYBZHCNGJZ-NSHDSACASA-N 2 1 296.415 -0.027 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000659711715 420455001 /nfs/dbraw/zinc/45/50/01/420455001.db2.gz CQCZFNUCKQCHMI-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP [NH3+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659711284 420455433 /nfs/dbraw/zinc/45/54/33/420455433.db2.gz YXIRQNLLGKOILX-LLVKDONJSA-N 2 1 282.388 -0.416 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000659714004 420456413 /nfs/dbraw/zinc/45/64/13/420456413.db2.gz IOSXFXRJRBFAKY-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000659714710 420456641 /nfs/dbraw/zinc/45/66/41/420456641.db2.gz LWVAXLJAYJZFDQ-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000659714708 420456716 /nfs/dbraw/zinc/45/67/16/420456716.db2.gz LWVAXLJAYJZFDQ-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659718214 420458007 /nfs/dbraw/zinc/45/80/07/420458007.db2.gz MRXPAXKYQXUZLG-QWRGUYRKSA-N 2 1 284.404 -0.314 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000659717501 420458093 /nfs/dbraw/zinc/45/80/93/420458093.db2.gz HZTOQQIQGZDDGY-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000659725710 420459849 /nfs/dbraw/zinc/45/98/49/420459849.db2.gz YKQJDPLLSKEZBD-LLVKDONJSA-N 2 1 282.388 -0.416 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000659726288 420460068 /nfs/dbraw/zinc/46/00/68/420460068.db2.gz IXKCTUYCXQEEAO-XQQFMLRXSA-N 2 1 294.399 -0.402 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000659724746 420460502 /nfs/dbraw/zinc/46/05/02/420460502.db2.gz QPQXXXVFQWANSS-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000659732236 420461958 /nfs/dbraw/zinc/46/19/58/420461958.db2.gz LJUNWYRFDXEUEU-AGIUHOORSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000659732238 420462564 /nfs/dbraw/zinc/46/25/64/420462564.db2.gz LJUNWYRFDXEUEU-FRRDWIJNSA-N 2 1 294.399 -0.593 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)C1 ZINC000659738159 420462759 /nfs/dbraw/zinc/46/27/59/420462759.db2.gz AUBZCPZFUVHQLZ-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000659738225 420463060 /nfs/dbraw/zinc/46/30/60/420463060.db2.gz BZJKEEPYVWTTQR-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)C1 ZINC000659739719 420464701 /nfs/dbraw/zinc/46/47/01/420464701.db2.gz YLNMZRMSJVWCAE-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000659739433 420465145 /nfs/dbraw/zinc/46/51/45/420465145.db2.gz UJQAZWWGEJQLAY-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN[C@H](CO)c1cnn(C)c1 ZINC000660271654 420488090 /nfs/dbraw/zinc/48/80/90/420488090.db2.gz ZWBMTZJDPGDESN-CHWSQXEVSA-N 2 1 270.377 -0.256 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000660380984 420489282 /nfs/dbraw/zinc/48/92/82/420489282.db2.gz IWHUWDQZVQQPAO-FRRDWIJNSA-N 2 1 262.394 -0.249 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000660380984 420489283 /nfs/dbraw/zinc/48/92/83/420489283.db2.gz IWHUWDQZVQQPAO-FRRDWIJNSA-N 2 1 262.394 -0.249 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C[C@H](C)O)[C@H](C)CO ZINC000660380984 420489285 /nfs/dbraw/zinc/48/92/85/420489285.db2.gz IWHUWDQZVQQPAO-FRRDWIJNSA-N 2 1 262.394 -0.249 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C[C@H](C)O)[C@H](C)CO ZINC000660380984 420489286 /nfs/dbraw/zinc/48/92/86/420489286.db2.gz IWHUWDQZVQQPAO-FRRDWIJNSA-N 2 1 262.394 -0.249 20 0 CBADMP NC(=O)NC(=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000517935935 260321260 /nfs/dbraw/zinc/32/12/60/260321260.db2.gz IVFKHKAHDVGARS-SNVBAGLBSA-N 2 1 272.349 -0.992 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000518023477 260336060 /nfs/dbraw/zinc/33/60/60/260336060.db2.gz PSOBAPPEJXSPFB-OSAQELSMSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000518023477 260336061 /nfs/dbraw/zinc/33/60/61/260336061.db2.gz PSOBAPPEJXSPFB-OSAQELSMSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000518023477 260336062 /nfs/dbraw/zinc/33/60/62/260336062.db2.gz PSOBAPPEJXSPFB-OSAQELSMSA-N 2 1 296.415 -0.165 20 0 CBADMP O=C([C@H]1CSC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000521438140 262370840 /nfs/dbraw/zinc/37/08/40/262370840.db2.gz RSTOYAOGOMPEEY-GHMZBOCLSA-N 2 1 270.402 -0.845 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519156808 265336324 /nfs/dbraw/zinc/33/63/24/265336324.db2.gz PBOMDPTWHMYWAK-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC(=O)NC3CCCC3)CCN2C1=O ZINC000516982047 269594705 /nfs/dbraw/zinc/59/47/05/269594705.db2.gz SLJGRLRWJRKPSM-CHWSQXEVSA-N 2 1 294.399 -0.321 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC(=O)NC3CCCC3)CCN2C1=O ZINC000516982047 269594706 /nfs/dbraw/zinc/59/47/06/269594706.db2.gz SLJGRLRWJRKPSM-CHWSQXEVSA-N 2 1 294.399 -0.321 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)C1CC1 ZINC000419521289 276125229 /nfs/dbraw/zinc/12/52/29/276125229.db2.gz JYGLLEOQUMQORS-TXEJJXNPSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1)C1CC1 ZINC000187945002 276348384 /nfs/dbraw/zinc/34/83/84/276348384.db2.gz ZBULFEGJUVIPSX-NWDGAFQWSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000332355625 276366535 /nfs/dbraw/zinc/36/65/35/276366535.db2.gz SCCZVPMNYLROHJ-BETUJISGSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000366458836 276392240 /nfs/dbraw/zinc/39/22/40/276392240.db2.gz FGTLXZBNOHCIQK-XQQFMLRXSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000366458836 276392242 /nfs/dbraw/zinc/39/22/42/276392242.db2.gz FGTLXZBNOHCIQK-XQQFMLRXSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000685562527 545081847 /nfs/dbraw/zinc/08/18/47/545081847.db2.gz RBBROGDYIKBNLC-XHSDSOJGSA-N 2 1 297.443 -0.028 20 0 CBADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](CC(N)=O)C1)C1CC1 ZINC000685585272 545082105 /nfs/dbraw/zinc/08/21/05/545082105.db2.gz DYLUBOSPDYAKFE-JQWIXIFHSA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](CC(N)=O)C1)C1CC1 ZINC000685585272 545082106 /nfs/dbraw/zinc/08/21/06/545082106.db2.gz DYLUBOSPDYAKFE-JQWIXIFHSA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](CC(N)=O)C1)C1CC1 ZINC000685585272 545082107 /nfs/dbraw/zinc/08/21/07/545082107.db2.gz DYLUBOSPDYAKFE-JQWIXIFHSA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](CC(N)=O)C1)C1CC1 ZINC000685585272 545082108 /nfs/dbraw/zinc/08/21/08/545082108.db2.gz DYLUBOSPDYAKFE-JQWIXIFHSA-N 2 1 255.362 -0.361 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262300690 277035690 /nfs/dbraw/zinc/03/56/90/277035690.db2.gz XJFDWYXBOVRIDW-GFCCVEGCSA-N 2 1 275.418 0.000 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000351864819 277043971 /nfs/dbraw/zinc/04/39/71/277043971.db2.gz ZLBMXUYPIYJBSB-KWCYVHTRSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000351864819 277043973 /nfs/dbraw/zinc/04/39/73/277043973.db2.gz ZLBMXUYPIYJBSB-KWCYVHTRSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000430947983 277044068 /nfs/dbraw/zinc/04/40/68/277044068.db2.gz GQULCHLUKGJTNH-CHWSQXEVSA-N 2 1 282.388 -0.606 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000430947983 277044069 /nfs/dbraw/zinc/04/40/69/277044069.db2.gz GQULCHLUKGJTNH-CHWSQXEVSA-N 2 1 282.388 -0.606 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423380274 277221392 /nfs/dbraw/zinc/22/13/92/277221392.db2.gz NPXFPLFVNWZJLD-BZPMIXESSA-N 2 1 267.373 -0.035 20 0 CBADMP COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCOCC[NH3+])C1 ZINC000357080749 277228817 /nfs/dbraw/zinc/22/88/17/277228817.db2.gz NDARLDRIBRVMOX-OLZOCXBDSA-N 2 1 287.404 -0.175 20 0 CBADMP CC(C)([NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000430883271 277305917 /nfs/dbraw/zinc/30/59/17/277305917.db2.gz BZZNGTHBIYDFRM-JTQLQIEISA-N 2 1 270.377 -0.573 20 0 CBADMP CC(C)([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419701227 277306749 /nfs/dbraw/zinc/30/67/49/277306749.db2.gz YVTOBNHJDAMOBI-NSHDSACASA-N 2 1 296.415 -0.027 20 0 CBADMP CC(C)([NH3+])CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418409891 277307398 /nfs/dbraw/zinc/30/73/98/277307398.db2.gz ATDUGXJZHYCRFL-NSHDSACASA-N 2 1 272.393 -0.130 20 0 CBADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000037626666 277436315 /nfs/dbraw/zinc/43/63/15/277436315.db2.gz YMSHIURYPLJNBW-VHSXEESVSA-N 2 1 258.366 -0.718 20 0 CBADMP CC(C)[C@H](CNC(=O)N[C@H](C)C[NH3+])[NH+]1CCOCC1 ZINC000416942394 277894529 /nfs/dbraw/zinc/89/45/29/277894529.db2.gz RYEZYLZXZQLRBW-NEPJUHHUSA-N 2 1 272.393 -0.010 20 0 CBADMP CSCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000167993125 278131084 /nfs/dbraw/zinc/13/10/84/278131084.db2.gz BUORJDQFNZBKMB-IJLUTSLNSA-N 2 1 289.445 -0.020 20 0 CBADMP CSCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000167993125 278131086 /nfs/dbraw/zinc/13/10/86/278131086.db2.gz BUORJDQFNZBKMB-IJLUTSLNSA-N 2 1 289.445 -0.020 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)C[NH3+] ZINC000262442668 278189431 /nfs/dbraw/zinc/18/94/31/278189431.db2.gz UVMWCWZGKGXRLX-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419730512 278246019 /nfs/dbraw/zinc/24/60/19/278246019.db2.gz KCJQQHUDHJOHSE-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](O)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)CO ZINC000338357744 278394052 /nfs/dbraw/zinc/39/40/52/278394052.db2.gz LDEZOZZBFJWBSU-QWHCGFSZSA-N 2 1 287.404 -0.786 20 0 CBADMP C[C@@H](O)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)CO ZINC000338357744 278394053 /nfs/dbraw/zinc/39/40/53/278394053.db2.gz LDEZOZZBFJWBSU-QWHCGFSZSA-N 2 1 287.404 -0.786 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494895927 278517597 /nfs/dbraw/zinc/51/75/97/278517597.db2.gz FDIYSBGURHUQRS-RHYQMDGZSA-N 2 1 253.346 -0.426 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000419985778 278886320 /nfs/dbraw/zinc/88/63/20/278886320.db2.gz BCYJIJRLUUIPQS-LLVKDONJSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@@H+](CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C1CC1 ZINC000376075128 279051886 /nfs/dbraw/zinc/05/18/86/279051886.db2.gz UAAWBIKEQHUBFO-AWEZNQCLSA-N 2 1 280.416 -0.023 20 0 CBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000262508441 279068148 /nfs/dbraw/zinc/06/81/48/279068148.db2.gz JIUZZEGXCLEOPY-CYBMUJFWSA-N 2 1 298.431 -0.016 20 0 CBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000262508441 279068149 /nfs/dbraw/zinc/06/81/49/279068149.db2.gz JIUZZEGXCLEOPY-CYBMUJFWSA-N 2 1 298.431 -0.016 20 0 CBADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347878120 279090214 /nfs/dbraw/zinc/09/02/14/279090214.db2.gz DUMPIULHOJSNCV-GFCCVEGCSA-N 2 1 256.394 -0.310 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)C1CC1 ZINC000419520649 279189842 /nfs/dbraw/zinc/18/98/42/279189842.db2.gz IGMRRCYGPJRCCI-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000431027491 288116533 /nfs/dbraw/zinc/11/65/33/288116533.db2.gz WPZMFUDFBVUKOZ-WXHSDQCUSA-N 2 1 267.373 -0.036 20 0 CBADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423371658 279281881 /nfs/dbraw/zinc/28/18/81/279281881.db2.gz HSLYEOPSWQOYDB-QWRGUYRKSA-N 2 1 271.361 -0.133 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423371658 279281883 /nfs/dbraw/zinc/28/18/83/279281883.db2.gz HSLYEOPSWQOYDB-QWRGUYRKSA-N 2 1 271.361 -0.133 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[N@@H+](C)C1CC1 ZINC000419594219 279324986 /nfs/dbraw/zinc/32/49/86/279324986.db2.gz UNRBEROGFKKYCA-GHMZBOCLSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419884214 279331601 /nfs/dbraw/zinc/33/16/01/279331601.db2.gz FNCFBSOSMWKVCQ-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339636198 279331690 /nfs/dbraw/zinc/33/16/90/279331690.db2.gz CGPNHEZAQJMJEI-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000353380798 279389040 /nfs/dbraw/zinc/38/90/40/279389040.db2.gz DHCVDXNCJODITB-AGIUHOORSA-N 2 1 267.373 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000353380798 279389041 /nfs/dbraw/zinc/38/90/41/279389041.db2.gz DHCVDXNCJODITB-AGIUHOORSA-N 2 1 267.373 -0.225 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000236900506 279391169 /nfs/dbraw/zinc/39/11/69/279391169.db2.gz NXRJKARKVNYDKV-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000236900506 279391171 /nfs/dbraw/zinc/39/11/71/279391171.db2.gz NXRJKARKVNYDKV-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP [NH3+][C@@H]1CCC[C@]12CCN(C(=O)[C@@H]1COCC[NH2+]1)C2 ZINC000365094871 279676816 /nfs/dbraw/zinc/67/68/16/279676816.db2.gz PIEVYJFJOZRULO-DMDPSCGWSA-N 2 1 253.346 -0.295 20 0 CBADMP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000249136488 279678349 /nfs/dbraw/zinc/67/83/49/279678349.db2.gz OCODMUHDANEYRI-UPJWGTAASA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000333796700 288177191 /nfs/dbraw/zinc/17/71/91/288177191.db2.gz HBWICSILJOCBIZ-VXGBXAGGSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000333796700 288177193 /nfs/dbraw/zinc/17/71/93/288177193.db2.gz HBWICSILJOCBIZ-VXGBXAGGSA-N 2 1 270.377 -0.554 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000410698331 280008303 /nfs/dbraw/zinc/00/83/03/280008303.db2.gz NISKVFRNZALIMB-ZDUSSCGKSA-N 2 1 298.431 -0.195 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000410698331 280008304 /nfs/dbraw/zinc/00/83/04/280008304.db2.gz NISKVFRNZALIMB-ZDUSSCGKSA-N 2 1 298.431 -0.195 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000423352234 280008681 /nfs/dbraw/zinc/00/86/81/280008681.db2.gz AAQNZXIITWQZOW-NSHDSACASA-N 2 1 270.377 -0.798 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000423352234 280008682 /nfs/dbraw/zinc/00/86/82/280008682.db2.gz AAQNZXIITWQZOW-NSHDSACASA-N 2 1 270.377 -0.798 20 0 CBADMP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372098687 280084937 /nfs/dbraw/zinc/08/49/37/280084937.db2.gz MMLYOPMBGFGOBR-XQQFMLRXSA-N 2 1 267.373 -0.204 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000418734389 280165581 /nfs/dbraw/zinc/16/55/81/280165581.db2.gz RYVUTCLEKYWUCU-NEPJUHHUSA-N 2 1 272.393 -0.130 20 0 CBADMP CC(C)[C@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH+]1CCOCC1 ZINC000333906780 280247896 /nfs/dbraw/zinc/24/78/96/280247896.db2.gz KBERIKWCJMLGME-RFQIPJPRSA-N 2 1 296.415 -0.140 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000246578400 280369228 /nfs/dbraw/zinc/36/92/28/280369228.db2.gz VMDGDPCTWPSFFT-YNEHKIRRSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000168014400 280380216 /nfs/dbraw/zinc/38/02/16/280380216.db2.gz UCPVAFZCKXCHFA-BZPMIXESSA-N 2 1 287.379 -0.008 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000168014400 280380218 /nfs/dbraw/zinc/38/02/18/280380218.db2.gz UCPVAFZCKXCHFA-BZPMIXESSA-N 2 1 287.379 -0.008 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000246554862 280380380 /nfs/dbraw/zinc/38/03/80/280380380.db2.gz UCPVAFZCKXCHFA-SCRDCRAPSA-N 2 1 287.379 -0.008 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000246554862 280380382 /nfs/dbraw/zinc/38/03/82/280380382.db2.gz UCPVAFZCKXCHFA-SCRDCRAPSA-N 2 1 287.379 -0.008 20 0 CBADMP CC[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000178258808 280674780 /nfs/dbraw/zinc/67/47/80/280674780.db2.gz NSFKSVCXQBGSGS-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H](C[NH3+])OC)CC[N@@H+]1CCOC ZINC000353425363 288268374 /nfs/dbraw/zinc/26/83/74/288268374.db2.gz HILFNBOSESDWAL-RYUDHWBXSA-N 2 1 273.377 -0.471 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H](C[NH3+])OC)CC[N@H+]1CCOC ZINC000353425363 288268376 /nfs/dbraw/zinc/26/83/76/288268376.db2.gz HILFNBOSESDWAL-RYUDHWBXSA-N 2 1 273.377 -0.471 20 0 CBADMP CC[C@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186665569 280873642 /nfs/dbraw/zinc/87/36/42/280873642.db2.gz FDDCVVUVAHWDQU-QWRGUYRKSA-N 2 1 268.361 -0.854 20 0 CBADMP CC1(C)CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[NH2+]1 ZINC000331377055 281151279 /nfs/dbraw/zinc/15/12/79/281151279.db2.gz HGNRGHXTTWGIER-NSHDSACASA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000332578856 288306955 /nfs/dbraw/zinc/30/69/55/288306955.db2.gz AMSGJANYSAUXOS-UPJWGTAASA-N 2 1 294.399 -0.369 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000332187922 288307337 /nfs/dbraw/zinc/30/73/37/288307337.db2.gz TXXZLXDVFMRLKY-WOPDTQHZSA-N 2 1 280.372 -0.840 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCC[N@H+]1C ZINC000419566033 289050145 /nfs/dbraw/zinc/05/01/45/289050145.db2.gz ZMPXEBOAGQBGNR-FRRDWIJNSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430919605 289271899 /nfs/dbraw/zinc/27/18/99/289271899.db2.gz LSNUEKIPBOWGTJ-IJLUTSLNSA-N 2 1 282.388 -0.621 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261616800 289271985 /nfs/dbraw/zinc/27/19/85/289271985.db2.gz CWCIBUQHNQBEQG-JMSVASOKSA-N 2 1 296.415 -0.231 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261616800 289271989 /nfs/dbraw/zinc/27/19/89/289271989.db2.gz CWCIBUQHNQBEQG-JMSVASOKSA-N 2 1 296.415 -0.231 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000068807594 290035659 /nfs/dbraw/zinc/03/56/59/290035659.db2.gz WQDYIHWNWAMWNY-LLVKDONJSA-N 2 1 254.378 -0.380 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000427290681 290093064 /nfs/dbraw/zinc/09/30/64/290093064.db2.gz BUJZDQMLERCMNR-AGIUHOORSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000418675992 290186642 /nfs/dbraw/zinc/18/66/42/290186642.db2.gz SDIMHSLBSGPMJP-OWTLIXCDSA-N 2 1 264.373 -0.059 20 0 CBADMP C[C@H]1CC(=O)NCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000376685360 290324789 /nfs/dbraw/zinc/32/47/89/290324789.db2.gz ADWQAFMXSXUUKS-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP C[C@H]1CC(=O)NCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000376685360 290324791 /nfs/dbraw/zinc/32/47/91/290324791.db2.gz ADWQAFMXSXUUKS-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)CNC(=O)C[NH3+] ZINC000037622991 290386290 /nfs/dbraw/zinc/38/62/90/290386290.db2.gz NDEIBZCYQALOAY-NSHDSACASA-N 2 1 270.377 -0.558 20 0 CBADMP COC[C@]1(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)CC[NH2+]C1 ZINC000331681432 293266947 /nfs/dbraw/zinc/26/69/47/293266947.db2.gz USKXEKUOHPDJQR-OLZOCXBDSA-N 2 1 273.352 -0.228 20 0 CBADMP C[C@@H]1C[N@@H+](CCOCCO)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343919653 297007753 /nfs/dbraw/zinc/00/77/53/297007753.db2.gz GYMFJOBZTQPKJL-HUUCEWRRSA-N 2 1 285.432 -0.047 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237929307 295149898 /nfs/dbraw/zinc/14/98/98/295149898.db2.gz SNSUOXKTSBQSTR-RYUDHWBXSA-N 2 1 282.388 -0.558 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000360204493 295153146 /nfs/dbraw/zinc/15/31/46/295153146.db2.gz MIVBONZPGNKSIX-VHSXEESVSA-N 2 1 286.401 -0.895 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000360204493 295153148 /nfs/dbraw/zinc/15/31/48/295153148.db2.gz MIVBONZPGNKSIX-VHSXEESVSA-N 2 1 286.401 -0.895 20 0 CBADMP NS(=O)(=O)C[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261656369 295284120 /nfs/dbraw/zinc/28/41/20/295284120.db2.gz BIWDPMFVDKXUSF-LLVKDONJSA-N 2 1 261.391 -0.261 20 0 CBADMP NS(=O)(=O)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261648193 295286509 /nfs/dbraw/zinc/28/65/09/295286509.db2.gz ATUZSNMSACHPDO-NSHDSACASA-N 2 1 261.391 -0.261 20 0 CBADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000332065154 295301443 /nfs/dbraw/zinc/30/14/43/295301443.db2.gz RHXGJTLHZQTEBS-AGIUHOORSA-N 2 1 294.399 -0.321 20 0 CBADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000332632570 295301484 /nfs/dbraw/zinc/30/14/84/295301484.db2.gz VFHIZALHDCOOQK-OLZOCXBDSA-N 2 1 294.399 -0.367 20 0 CBADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000332632570 295301487 /nfs/dbraw/zinc/30/14/87/295301487.db2.gz VFHIZALHDCOOQK-OLZOCXBDSA-N 2 1 294.399 -0.367 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000515073207 295343056 /nfs/dbraw/zinc/34/30/56/295343056.db2.gz NGLPWLZERHLINK-RYUDHWBXSA-N 3 1 252.362 -0.770 20 0 CBADMP O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186701065 295544975 /nfs/dbraw/zinc/54/49/75/295544975.db2.gz QPKUUFFOVHDMBG-CHWSQXEVSA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000333520548 297098402 /nfs/dbraw/zinc/09/84/02/297098402.db2.gz KOZOAHAAGIHZPW-FRRDWIJNSA-N 2 1 282.388 -0.147 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000333520547 297098476 /nfs/dbraw/zinc/09/84/76/297098476.db2.gz KOZOAHAAGIHZPW-AGIUHOORSA-N 2 1 282.388 -0.147 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000343554021 297582659 /nfs/dbraw/zinc/58/26/59/297582659.db2.gz VOBHDOQTCOVGJP-SGMGOOAPSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433395902 300214023 /nfs/dbraw/zinc/21/40/23/300214023.db2.gz ULTQGOWYEIGGLN-RYUDHWBXSA-N 2 1 292.387 -0.021 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433395902 300214027 /nfs/dbraw/zinc/21/40/27/300214027.db2.gz ULTQGOWYEIGGLN-RYUDHWBXSA-N 2 1 292.387 -0.021 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000424184183 300219708 /nfs/dbraw/zinc/21/97/08/300219708.db2.gz XFCGFDWDLYHNRE-QJPTWQEYSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@H]1COCC[N@@H+]1CCN1CCO[C@H](C[NH+](C)C)C1 ZINC000192714507 300345219 /nfs/dbraw/zinc/34/52/19/300345219.db2.gz WJPWBSCIFZOIAS-UONOGXRCSA-N 2 1 271.405 -0.031 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCN1CCOCC1 ZINC000436055470 303372936 /nfs/dbraw/zinc/37/29/36/303372936.db2.gz BKDJHSNTGXUKFP-AWEZNQCLSA-N 2 1 298.431 -0.362 20 0 CBADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000580329020 327830564 /nfs/dbraw/zinc/83/05/64/327830564.db2.gz VWXJVPSTKBUIEK-ZWNOBZJWSA-N 2 1 279.340 -0.119 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1cnn(C)c1 ZINC000581251910 327872763 /nfs/dbraw/zinc/87/27/63/327872763.db2.gz FAGKNCZQBMNFMS-KKZNHRDASA-N 2 1 253.350 -0.077 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000563271480 328005520 /nfs/dbraw/zinc/00/55/20/328005520.db2.gz TUFUIRZAVGHAOR-ZFWWWQNUSA-N 3 1 287.448 -0.019 20 0 CBADMP CNC[C@](C)(O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000563271480 328005521 /nfs/dbraw/zinc/00/55/21/328005521.db2.gz TUFUIRZAVGHAOR-ZFWWWQNUSA-N 2 1 287.448 -0.019 20 0 CBADMP CNC[C@](C)(O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000563271480 328005522 /nfs/dbraw/zinc/00/55/22/328005522.db2.gz TUFUIRZAVGHAOR-ZFWWWQNUSA-N 2 1 287.448 -0.019 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NCC[NH+](C)C ZINC000563403867 328062934 /nfs/dbraw/zinc/06/29/34/328062934.db2.gz PMJSCKKTOXWHES-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP Cc1nccn1CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563444001 328067154 /nfs/dbraw/zinc/06/71/54/328067154.db2.gz ZYLIKEGNSQOBAZ-CHWSQXEVSA-N 2 1 277.372 -0.175 20 0 CBADMP O=C(CC[NH+]1CCC2(CC[NH2+]C2)CC1)N1CCNCC1 ZINC000563535618 328071501 /nfs/dbraw/zinc/07/15/01/328071501.db2.gz JZYMJUHRUFPNNX-UHFFFAOYSA-N 2 1 280.416 -0.116 20 0 CBADMP CN1CC[NH2+]C[C@H]1CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000563596638 328076204 /nfs/dbraw/zinc/07/62/04/328076204.db2.gz UKQUASDSTZUQON-KGLIPLIRSA-N 2 1 297.447 -0.079 20 0 CBADMP CC[NH+]1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000563622176 328077932 /nfs/dbraw/zinc/07/79/32/328077932.db2.gz CSNZRAUHASNSAG-LBPRGKRZSA-N 2 1 292.387 -0.192 20 0 CBADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC1CC[NH2+]CC1 ZINC000571208842 328093268 /nfs/dbraw/zinc/09/32/68/328093268.db2.gz WGEOZYJOSGFBSX-UHFFFAOYSA-N 2 1 254.378 -0.650 20 0 CBADMP C[N@H+](CC(=O)N1CCNCC1)CC1CC[NH2+]CC1 ZINC000571208842 328093270 /nfs/dbraw/zinc/09/32/70/328093270.db2.gz WGEOZYJOSGFBSX-UHFFFAOYSA-N 2 1 254.378 -0.650 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000571626416 328143044 /nfs/dbraw/zinc/14/30/44/328143044.db2.gz VUCFMVWXHZBAMP-QWHCGFSZSA-N 2 1 281.404 -0.620 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000583146116 329322379 /nfs/dbraw/zinc/32/23/79/329322379.db2.gz KTVWTNWNKVDKIJ-YPMHNXCESA-N 2 1 253.346 -0.423 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000568262964 326986339 /nfs/dbraw/zinc/98/63/39/326986339.db2.gz GAZYFCNUWMSFMT-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000557279066 327000266 /nfs/dbraw/zinc/00/02/66/327000266.db2.gz JUHRKSVGIYYWJA-JTQLQIEISA-N 2 1 280.372 -0.793 20 0 CBADMP CC(=O)NCCN(C)CC(C)C[N@@H+](C)CCNC(C)=O ZINC000565772082 327008633 /nfs/dbraw/zinc/00/86/33/327008633.db2.gz CUTYKSZPCZWPAG-UHFFFAOYSA-N 2 1 286.420 -0.242 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC000576820582 327041987 /nfs/dbraw/zinc/04/19/87/327041987.db2.gz UERHZJAFMPCICL-LLVKDONJSA-N 2 1 280.376 -0.207 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC000576820582 327041988 /nfs/dbraw/zinc/04/19/88/327041988.db2.gz UERHZJAFMPCICL-LLVKDONJSA-N 2 1 280.376 -0.207 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000576941065 327053235 /nfs/dbraw/zinc/05/32/35/327053235.db2.gz TWGXWLBYLWCJQX-OCCSQVGLSA-N 2 1 267.373 -0.176 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CCO)C[C@H]1C ZINC000584239861 327112273 /nfs/dbraw/zinc/11/22/73/327112273.db2.gz OQJCAMFIEIEHJY-OLZOCXBDSA-N 2 1 259.394 -0.703 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](CCO)C[C@H]1C ZINC000584239861 327112275 /nfs/dbraw/zinc/11/22/75/327112275.db2.gz OQJCAMFIEIEHJY-OLZOCXBDSA-N 2 1 259.394 -0.703 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](CCO)C[C@H]1C ZINC000584239861 327112277 /nfs/dbraw/zinc/11/22/77/327112277.db2.gz OQJCAMFIEIEHJY-OLZOCXBDSA-N 2 1 259.394 -0.703 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000566171324 327155197 /nfs/dbraw/zinc/15/51/97/327155197.db2.gz LKVVEXWEGANGKQ-RYUDHWBXSA-N 2 1 292.387 -0.288 20 0 CBADMP CC[NH+]1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000566198931 327178296 /nfs/dbraw/zinc/17/82/96/327178296.db2.gz JBPCHULCHBCCHD-UHFFFAOYSA-N 2 1 280.376 -0.205 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000569481230 327183952 /nfs/dbraw/zinc/18/39/52/327183952.db2.gz ARBQNJXUFJQDDZ-TUAOUCFPSA-N 2 1 282.388 -0.560 20 0 CBADMP COC(=O)c1cn([C@H]2CCC[N@@H+](CCOCC[NH3+])C2)nn1 ZINC000564656841 327198684 /nfs/dbraw/zinc/19/86/84/327198684.db2.gz OAXBQFKQOAQVRK-NSHDSACASA-N 2 1 297.359 -0.323 20 0 CBADMP CC(C)(C[NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000584290437 327222563 /nfs/dbraw/zinc/22/25/63/327222563.db2.gz ADGXWELZXYAKCV-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000564658884 327244626 /nfs/dbraw/zinc/24/46/26/327244626.db2.gz LGTUBFYONYMVEI-TXEJJXNPSA-N 2 1 282.388 -0.593 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000564666626 327257192 /nfs/dbraw/zinc/25/71/92/327257192.db2.gz OEFKNHKCGNPRCM-MJBXVCDLSA-N 2 1 290.404 -0.697 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000564666626 327257194 /nfs/dbraw/zinc/25/71/94/327257194.db2.gz OEFKNHKCGNPRCM-MJBXVCDLSA-N 2 1 290.404 -0.697 20 0 CBADMP O=C(CC[NH+]1CCC2(CC[NH2+]2)CC1)N1CC[NH2+]CC1 ZINC000566244891 327257792 /nfs/dbraw/zinc/25/77/92/327257792.db2.gz LNFXROIBYHOMJT-UHFFFAOYSA-N 3 1 266.389 -0.364 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000574072583 327287868 /nfs/dbraw/zinc/28/78/68/327287868.db2.gz XWNOZMAPBLJHNK-KXNHARMFSA-N 2 1 253.346 -0.569 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000564976476 327303800 /nfs/dbraw/zinc/30/38/00/327303800.db2.gz TUBPSHUDIKMZSN-OLZOCXBDSA-N 2 1 260.378 -0.180 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000560654637 327333894 /nfs/dbraw/zinc/33/38/94/327333894.db2.gz XEYXGWYUFBSKDB-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000574454069 327335326 /nfs/dbraw/zinc/33/53/26/327335326.db2.gz OMJUUIATCHWSER-UPJWGTAASA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000574454067 327335338 /nfs/dbraw/zinc/33/53/38/327335338.db2.gz OMJUUIATCHWSER-FRRDWIJNSA-N 2 1 268.405 -0.264 20 0 CBADMP NS(=O)(=O)[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000564988337 327340010 /nfs/dbraw/zinc/34/00/10/327340010.db2.gz DKLAZNUUMLDBMU-NSHDSACASA-N 2 1 261.391 -0.261 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000574574538 327350975 /nfs/dbraw/zinc/35/09/75/327350975.db2.gz GGWBHUQXKQZITG-SUNKGSAMSA-N 2 1 280.372 -0.806 20 0 CBADMP Cc1ncc2c(n1)CC[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000574637769 327358635 /nfs/dbraw/zinc/35/86/35/327358635.db2.gz AVVZSJZALTUUFO-UHFFFAOYSA-N 2 1 289.383 -0.035 20 0 CBADMP CC[NH2+]CC1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC000569972751 327559179 /nfs/dbraw/zinc/55/91/79/327559179.db2.gz RMRPCRHJIRAOGL-UHFFFAOYSA-N 2 1 253.350 -0.070 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)NCC[N@@H+]1CC=CCC1 ZINC000392852574 329054120 /nfs/dbraw/zinc/05/41/20/329054120.db2.gz KAACUUZENLSADV-LBPRGKRZSA-N 2 1 253.346 -0.257 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)C(C)(C)C ZINC000393967025 329097880 /nfs/dbraw/zinc/09/78/80/329097880.db2.gz RGEYJLCNIBOBEM-VXGBXAGGSA-N 2 1 262.394 -0.078 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)C(C)(C)C ZINC000393967025 329097881 /nfs/dbraw/zinc/09/78/81/329097881.db2.gz RGEYJLCNIBOBEM-VXGBXAGGSA-N 2 1 262.394 -0.078 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN(C)CCC[NH+]1CCN(C)CC1 ZINC000582495022 329100422 /nfs/dbraw/zinc/10/04/22/329100422.db2.gz SYDZNWJGRDUZBY-HNNXBMFYSA-N 3 1 286.464 -0.132 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000582536656 329108453 /nfs/dbraw/zinc/10/84/53/329108453.db2.gz XJOYAQMBUSNEIK-RWMBFGLXSA-N 2 1 294.399 -0.402 20 0 CBADMP NC(=O)NC(=O)CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000582670211 329122669 /nfs/dbraw/zinc/12/26/69/329122669.db2.gz RAPNXYFNPHQUFC-UHFFFAOYSA-N 2 1 298.387 -0.602 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000583095629 329315388 /nfs/dbraw/zinc/31/53/88/329315388.db2.gz PPYTUBRHGMBISM-NSHDSACASA-N 2 1 296.371 -0.194 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])C[N@H+]1C1CC1 ZINC000583095546 329315393 /nfs/dbraw/zinc/31/53/93/329315393.db2.gz NCCHQMVRPJEWFV-QWRGUYRKSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])C[N@H+]1C1CC1 ZINC000583095544 329315508 /nfs/dbraw/zinc/31/55/08/329315508.db2.gz NCCHQMVRPJEWFV-GHMZBOCLSA-N 2 1 282.388 -0.465 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](C)C2C[NH2+]C2)CC1 ZINC000583141074 329321069 /nfs/dbraw/zinc/32/10/69/329321069.db2.gz VMLMQRNUWBLPCL-NWDGAFQWSA-N 2 1 297.399 -0.062 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)[C@H]2C1 ZINC000583194020 329355869 /nfs/dbraw/zinc/35/58/69/329355869.db2.gz PZMZLZFWJPRTES-NEPJUHHUSA-N 2 1 294.399 -0.463 20 0 CBADMP COC[C@@]1(CNC(=O)CC(F)(F)C[NH3+])CCC[NH2+]1 ZINC000568152828 334796818 /nfs/dbraw/zinc/79/68/18/334796818.db2.gz MCWFZTVHFLCJMC-JTQLQIEISA-N 2 1 265.304 -0.145 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000575803107 335116772 /nfs/dbraw/zinc/11/67/72/335116772.db2.gz DEUIRJUDYSBFCA-HNNXBMFYSA-N 3 1 280.416 -0.164 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000575803107 335116773 /nfs/dbraw/zinc/11/67/73/335116773.db2.gz DEUIRJUDYSBFCA-HNNXBMFYSA-N 3 1 280.416 -0.164 20 0 CBADMP C[C@H](C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000575803778 335117192 /nfs/dbraw/zinc/11/71/92/335117192.db2.gz FUUSXAVUFAQHOS-FRRDWIJNSA-N 2 1 268.405 -0.169 20 0 CBADMP COC(=O)C[C@H](N)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000572519575 333115116 /nfs/dbraw/zinc/11/51/16/333115116.db2.gz NAAYVKYRQDACEA-QXEWZRGKSA-N 2 1 269.345 -0.382 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000572519575 333115118 /nfs/dbraw/zinc/11/51/18/333115118.db2.gz NAAYVKYRQDACEA-QXEWZRGKSA-N 2 1 269.345 -0.382 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000576043153 335145004 /nfs/dbraw/zinc/14/50/04/335145004.db2.gz DNLJJQBAPRCJFG-UPJWGTAASA-N 2 1 268.405 -0.277 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3C[NH2+]CCO3)[C@H]2C1 ZINC000576156808 335161747 /nfs/dbraw/zinc/16/17/47/335161747.db2.gz KJRNWAJXVFFSJM-AGIUHOORSA-N 2 1 267.373 -0.083 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)C[C@@H]1C ZINC000311179756 334038276 /nfs/dbraw/zinc/03/82/76/334038276.db2.gz XXYWVCMYBPGYFS-STQMWFEESA-N 2 1 259.394 -0.439 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(C(=O)NC)C1 ZINC000564341233 334141389 /nfs/dbraw/zinc/14/13/89/334141389.db2.gz AAYFKRKLEDECJO-AAEUAGOBSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(C(=O)NC)C1 ZINC000564341233 334141390 /nfs/dbraw/zinc/14/13/90/334141390.db2.gz AAYFKRKLEDECJO-AAEUAGOBSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000564341233 334141391 /nfs/dbraw/zinc/14/13/91/334141391.db2.gz AAYFKRKLEDECJO-AAEUAGOBSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000564341233 334141392 /nfs/dbraw/zinc/14/13/92/334141392.db2.gz AAYFKRKLEDECJO-AAEUAGOBSA-N 2 1 257.378 -0.243 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000572532736 334352673 /nfs/dbraw/zinc/35/26/73/334352673.db2.gz BUPMVPPZRFOHOF-NEPJUHHUSA-N 2 1 293.433 -0.782 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000572532736 334352675 /nfs/dbraw/zinc/35/26/75/334352675.db2.gz BUPMVPPZRFOHOF-NEPJUHHUSA-N 2 1 293.433 -0.782 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000564949349 334529923 /nfs/dbraw/zinc/52/99/23/334529923.db2.gz HRYXBAVLPJNCFK-KGLIPLIRSA-N 2 1 290.367 -0.067 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000566007804 334615490 /nfs/dbraw/zinc/61/54/90/334615490.db2.gz SOMSIZOORIGMIB-WDEREUQCSA-N 2 1 287.360 -0.944 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)CC(F)(F)C[NH3+])CC1 ZINC000566407821 334646493 /nfs/dbraw/zinc/64/64/93/334646493.db2.gz PEROKKDMGADOQY-UHFFFAOYSA-N 2 1 278.347 -0.276 20 0 CBADMP Cc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)nc(C)[nH+]1 ZINC000567368037 334709350 /nfs/dbraw/zinc/70/93/50/334709350.db2.gz KEFUSCSGALKYJJ-MNOVXSKESA-N 2 1 261.329 -0.158 20 0 CBADMP C[C@@H](C[NH2+]CCC(=O)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000568976407 334849032 /nfs/dbraw/zinc/84/90/32/334849032.db2.gz VJECWFGJPFVHCC-NSHDSACASA-N 2 1 291.417 -0.827 20 0 CBADMP COCC[NH2+]C1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000569249459 334863879 /nfs/dbraw/zinc/86/38/79/334863879.db2.gz HCLHYUJTHXHBPP-UHFFFAOYSA-N 2 1 294.346 -0.010 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576359428 335194472 /nfs/dbraw/zinc/19/44/72/335194472.db2.gz AZUGUBBFICACJQ-FRRDWIJNSA-N 2 1 294.399 -0.369 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)[C@@H](C)C[N@@H+]1CCO ZINC000576449352 335204521 /nfs/dbraw/zinc/20/45/21/335204521.db2.gz XQSHNDJLZQLASF-AGIUHOORSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)[C@@H](C)C[N@H+]1CCO ZINC000576449352 335204522 /nfs/dbraw/zinc/20/45/22/335204522.db2.gz XQSHNDJLZQLASF-AGIUHOORSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)[C@@H](C)C[NH+]1CCO ZINC000576449352 335204523 /nfs/dbraw/zinc/20/45/23/335204523.db2.gz XQSHNDJLZQLASF-AGIUHOORSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](C)C[NH+]1CCO ZINC000576449352 335204524 /nfs/dbraw/zinc/20/45/24/335204524.db2.gz XQSHNDJLZQLASF-AGIUHOORSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000576465647 335207559 /nfs/dbraw/zinc/20/75/59/335207559.db2.gz HXKLLYRCQBSJAR-PWSUYJOCSA-N 2 1 259.325 -0.475 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000576574364 335220205 /nfs/dbraw/zinc/22/02/05/335220205.db2.gz CMNPOKWMINEIMY-LSDHHAIUSA-N 2 1 285.432 -0.047 20 0 CBADMP C[C@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)[NH+]1CC(C)C1 ZINC000576714938 335239045 /nfs/dbraw/zinc/23/90/45/335239045.db2.gz HZAPXYYEGAEWLF-IUODEOHRSA-N 2 1 281.400 -0.101 20 0 CBADMP COC[C@]1(CNC(=O)[C@@H]2CSC[NH2+]2)CCC[NH2+]1 ZINC000576876567 335258956 /nfs/dbraw/zinc/25/89/56/335258956.db2.gz SJRFRVBYRSQYII-GXSJLCMTSA-N 2 1 259.375 -0.466 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)[C@H]1CCCOC1)C1CC1 ZINC000576992347 335275023 /nfs/dbraw/zinc/27/50/23/335275023.db2.gz JXKANTCHGAVKTQ-YUTCNCBUSA-N 2 1 272.389 -0.181 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)[C@H]1CCCOC1)C1CC1 ZINC000576992347 335275025 /nfs/dbraw/zinc/27/50/25/335275025.db2.gz JXKANTCHGAVKTQ-YUTCNCBUSA-N 2 1 272.389 -0.181 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000580556437 335279959 /nfs/dbraw/zinc/27/99/59/335279959.db2.gz QIOLKOVPQCRMIF-TXEJJXNPSA-N 2 1 254.378 -0.523 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000580583774 335291619 /nfs/dbraw/zinc/29/16/19/335291619.db2.gz YTNMZAPUTJPFDV-RYUDHWBXSA-N 2 1 282.388 -0.687 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000580631763 335306964 /nfs/dbraw/zinc/30/69/64/335306964.db2.gz HLMNKOTUEFGFLH-LBPRGKRZSA-N 2 1 299.419 -0.552 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000580643488 335309949 /nfs/dbraw/zinc/30/99/49/335309949.db2.gz DKWCOMFUEDDCAR-SDDRHHMPSA-N 2 1 272.393 -0.180 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000580643488 335309950 /nfs/dbraw/zinc/30/99/50/335309950.db2.gz DKWCOMFUEDDCAR-SDDRHHMPSA-N 2 1 272.393 -0.180 20 0 CBADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NCC[NH+](C)C ZINC000577767697 335399295 /nfs/dbraw/zinc/39/92/95/335399295.db2.gz JEUMLMFRLALWCQ-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C(=O)NCC[NH+](C)C ZINC000577767697 335399297 /nfs/dbraw/zinc/39/92/97/335399297.db2.gz JEUMLMFRLALWCQ-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)C(=O)N(C)C ZINC000578874910 335683533 /nfs/dbraw/zinc/68/35/33/335683533.db2.gz HVROSUHRKATBOP-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000581130092 336012466 /nfs/dbraw/zinc/01/24/66/336012466.db2.gz GWRHZZJVYPRHCQ-RYUDHWBXSA-N 2 1 255.362 -0.096 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000581130092 336012468 /nfs/dbraw/zinc/01/24/68/336012468.db2.gz GWRHZZJVYPRHCQ-RYUDHWBXSA-N 2 1 255.362 -0.096 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)COC3C[NH2+]C3)[C@H]2C1 ZINC000581308961 336045051 /nfs/dbraw/zinc/04/50/51/336045051.db2.gz PFTOFZWBSBYIJN-JQWIXIFHSA-N 2 1 253.346 -0.473 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)COC3C[NH2+]C3)[C@@H]2C1 ZINC000581308960 336045131 /nfs/dbraw/zinc/04/51/31/336045131.db2.gz PFTOFZWBSBYIJN-CMPLNLGQSA-N 2 1 253.346 -0.473 20 0 CBADMP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000581370790 336063199 /nfs/dbraw/zinc/06/31/99/336063199.db2.gz CAJKPVQUFOSCER-SMDDNHRTSA-N 2 1 292.383 -0.285 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000581370978 336063305 /nfs/dbraw/zinc/06/33/05/336063305.db2.gz JVJYXNPWQOYNLG-SDDRHHMPSA-N 2 1 277.372 -0.109 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000581607201 336111575 /nfs/dbraw/zinc/11/15/75/336111575.db2.gz MPZYBEHQFXZSND-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000581607201 336111576 /nfs/dbraw/zinc/11/15/76/336111576.db2.gz MPZYBEHQFXZSND-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP CS(=O)(=O)NCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000581608497 336111728 /nfs/dbraw/zinc/11/17/28/336111728.db2.gz OWBSSZHIMQGYAL-NWDGAFQWSA-N 2 1 275.418 -0.143 20 0 CBADMP CS(=O)(=O)NCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000581608499 336111740 /nfs/dbraw/zinc/11/17/40/336111740.db2.gz OWBSSZHIMQGYAL-VXGBXAGGSA-N 2 1 275.418 -0.143 20 0 CBADMP CN1CC[C@@H]([N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000581608406 336111789 /nfs/dbraw/zinc/11/17/89/336111789.db2.gz CPDNKKAZLWVLGM-NWDGAFQWSA-N 2 1 267.373 -0.096 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000581665979 336120750 /nfs/dbraw/zinc/12/07/50/336120750.db2.gz RWBWBJGFVFPUDP-JTQLQIEISA-N 2 1 255.318 -0.817 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@H]1CCC[NH2+]1)c1cnn(C)c1 ZINC000581666160 336120796 /nfs/dbraw/zinc/12/07/96/336120796.db2.gz DLBKXZHMDISPRQ-MNOVXSKESA-N 2 1 251.334 -0.451 20 0 CBADMP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC000581998024 336187737 /nfs/dbraw/zinc/18/77/37/336187737.db2.gz PLJUPRHRPXTCTR-HOTGVXAUSA-N 2 1 298.475 -0.084 20 0 CBADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC000581998024 336187738 /nfs/dbraw/zinc/18/77/38/336187738.db2.gz PLJUPRHRPXTCTR-HOTGVXAUSA-N 2 1 298.475 -0.084 20 0 CBADMP C[C@H](O)C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)CO ZINC000785537536 582376214 /nfs/dbraw/zinc/37/62/14/582376214.db2.gz QNOOVKOGIODXDB-RWMBFGLXSA-N 2 1 260.378 -0.493 20 0 CBADMP C[C@H](O)C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)CO ZINC000785537536 582376215 /nfs/dbraw/zinc/37/62/15/582376215.db2.gz QNOOVKOGIODXDB-RWMBFGLXSA-N 2 1 260.378 -0.493 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000164006132 523842013 /nfs/dbraw/zinc/84/20/13/523842013.db2.gz CURRKVMUCHTTRW-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000176919111 527715987 /nfs/dbraw/zinc/71/59/87/527715987.db2.gz KSXZPRZTXUDZMO-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000176919111 527715991 /nfs/dbraw/zinc/71/59/91/527715991.db2.gz KSXZPRZTXUDZMO-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000376650276 528021652 /nfs/dbraw/zinc/02/16/52/528021652.db2.gz FGZUWXUUKMYBHF-YNEHKIRRSA-N 2 1 269.389 -0.197 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000367160640 529037788 /nfs/dbraw/zinc/03/77/88/529037788.db2.gz RRHWZOZKKNYIRY-AWEZNQCLSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354678680 529050713 /nfs/dbraw/zinc/05/07/13/529050713.db2.gz PYEHDIAFMDQLPJ-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2C[NH2+]C2)CC1=O ZINC000378189421 529077155 /nfs/dbraw/zinc/07/71/55/529077155.db2.gz YATMAJNLNVLDPX-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP COC[C@H]([NH3+])C(=O)NCCNc1cccc(C)[nH+]1 ZINC000357251352 536862347 /nfs/dbraw/zinc/86/23/47/536862347.db2.gz USAQMNHYJVYYET-JTQLQIEISA-N 2 1 252.318 -0.108 20 0 CBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000111660941 582115225 /nfs/dbraw/zinc/11/52/25/582115225.db2.gz XXTJYKXLOKSINL-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000111660941 582115227 /nfs/dbraw/zinc/11/52/27/582115227.db2.gz XXTJYKXLOKSINL-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000128975405 582122768 /nfs/dbraw/zinc/12/27/68/582122768.db2.gz VUEVZLIZBRUTGQ-NWDGAFQWSA-N 2 1 267.373 -0.035 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300072191 582130307 /nfs/dbraw/zinc/13/03/07/582130307.db2.gz KSPAEKJXLRDOKD-SDDRHHMPSA-N 2 1 271.361 -0.670 20 0 CBADMP C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000725889828 582135723 /nfs/dbraw/zinc/13/57/23/582135723.db2.gz LRICETLYSHPANG-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000725889828 582135725 /nfs/dbraw/zinc/13/57/25/582135725.db2.gz LRICETLYSHPANG-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP COCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000729980663 582148721 /nfs/dbraw/zinc/14/87/21/582148721.db2.gz RSDIVLVQZTUZSC-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP COCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000729980663 582148722 /nfs/dbraw/zinc/14/87/22/582148722.db2.gz RSDIVLVQZTUZSC-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[NH+](C)C ZINC000750017219 582290696 /nfs/dbraw/zinc/29/06/96/582290696.db2.gz KEBYRPAEYRPZQV-SRVKXCTJSA-N 2 1 255.362 -0.084 20 0 CBADMP COCC[N@@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000751368226 582292796 /nfs/dbraw/zinc/29/27/96/582292796.db2.gz PEMAAQRYXLXZGS-UHFFFAOYSA-N 2 1 299.415 -0.111 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000751368226 582292797 /nfs/dbraw/zinc/29/27/97/582292797.db2.gz PEMAAQRYXLXZGS-UHFFFAOYSA-N 2 1 299.415 -0.111 20 0 CBADMP CC[C@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)[NH+](C)C ZINC000764386869 582323135 /nfs/dbraw/zinc/32/31/35/582323135.db2.gz KKQVNTNATKQCIF-LLVKDONJSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1C ZINC000764403536 582323143 /nfs/dbraw/zinc/32/31/43/582323143.db2.gz YJMKFCQWEISWOI-CHWSQXEVSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@H+]1C ZINC000764403536 582323144 /nfs/dbraw/zinc/32/31/44/582323144.db2.gz YJMKFCQWEISWOI-CHWSQXEVSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1C ZINC000764403536 582323145 /nfs/dbraw/zinc/32/31/45/582323145.db2.gz YJMKFCQWEISWOI-CHWSQXEVSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC[NH+]1C ZINC000764403536 582323146 /nfs/dbraw/zinc/32/31/46/582323146.db2.gz YJMKFCQWEISWOI-CHWSQXEVSA-N 2 1 266.389 -0.461 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2CO)CC1 ZINC000767180525 582331865 /nfs/dbraw/zinc/33/18/65/582331865.db2.gz WYEQQOGDUYADDD-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP O[C@@H](CN1CC[NH+]([C@@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000773480342 582347628 /nfs/dbraw/zinc/34/76/28/582347628.db2.gz ILMWUTGALBXMFR-HUUCEWRRSA-N 2 1 283.416 -0.150 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000782632283 582370181 /nfs/dbraw/zinc/37/01/81/582370181.db2.gz JBBDLJSQXQKCHO-SWLSCSKDSA-N 2 1 281.400 -0.099 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000782632283 582370182 /nfs/dbraw/zinc/37/01/82/582370182.db2.gz JBBDLJSQXQKCHO-SWLSCSKDSA-N 2 1 281.400 -0.099 20 0 CBADMP CNC(=O)[C@@]1(C)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000797525454 582413732 /nfs/dbraw/zinc/41/37/32/582413732.db2.gz MXWHMTAICZMQMM-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C[C@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000800377150 582422569 /nfs/dbraw/zinc/42/25/69/582422569.db2.gz MYKVLANHVYWGJX-QLFBSQMISA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000808220679 582442413 /nfs/dbraw/zinc/44/24/13/582442413.db2.gz AGRKXBYMHWVKAL-UONOGXRCSA-N 2 1 298.431 -0.805 20 0 CBADMP C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC000816949648 582486876 /nfs/dbraw/zinc/48/68/76/582486876.db2.gz BBYOSTRGPGCWKC-QWHCGFSZSA-N 2 1 267.373 -0.129 20 0 CBADMP C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC000816949648 582486877 /nfs/dbraw/zinc/48/68/77/582486877.db2.gz BBYOSTRGPGCWKC-QWHCGFSZSA-N 2 1 267.373 -0.129 20 0 CBADMP NC(=O)NC(=O)CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000818985929 582524163 /nfs/dbraw/zinc/52/41/63/582524163.db2.gz AIBBOFICRPZSNJ-NXEZZACHSA-N 2 1 270.333 -0.976 20 0 CBADMP NC(=O)NC(=O)CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000818985929 582524164 /nfs/dbraw/zinc/52/41/64/582524164.db2.gz AIBBOFICRPZSNJ-NXEZZACHSA-N 2 1 270.333 -0.976 20 0 CBADMP C[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000821348945 582600071 /nfs/dbraw/zinc/60/00/71/582600071.db2.gz JDXVJDGQDMOZMS-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]21 ZINC000827309800 582810799 /nfs/dbraw/zinc/81/07/99/582810799.db2.gz HYXKTFJUWQSRSR-AVGNSLFASA-N 2 1 267.373 -0.130 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]21 ZINC000827309800 582810801 /nfs/dbraw/zinc/81/08/01/582810801.db2.gz HYXKTFJUWQSRSR-AVGNSLFASA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]21 ZINC000827309800 582810803 /nfs/dbraw/zinc/81/08/03/582810803.db2.gz HYXKTFJUWQSRSR-AVGNSLFASA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]21 ZINC000827309800 582810806 /nfs/dbraw/zinc/81/08/06/582810806.db2.gz HYXKTFJUWQSRSR-AVGNSLFASA-N 2 1 267.373 -0.130 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000827529634 582820981 /nfs/dbraw/zinc/82/09/81/582820981.db2.gz SSFPSLXWHZQYQK-SECBINFHSA-N 2 1 263.345 -0.121 20 0 CBADMP C[NH+]1CCC(OCC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000827536325 582821367 /nfs/dbraw/zinc/82/13/67/582821367.db2.gz STHUZXMMTXYHDP-GFCCVEGCSA-N 2 1 285.388 -0.720 20 0 CBADMP CC(C)(C)[NH2+]CCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000827578446 582825000 /nfs/dbraw/zinc/82/50/00/582825000.db2.gz XASYXAPUIMBDLW-CYBMUJFWSA-N 2 1 273.377 -0.768 20 0 CBADMP CC(C)c1[nH+]ccn1CCNC(=O)CNC(=O)C[NH3+] ZINC000828965729 582879182 /nfs/dbraw/zinc/87/91/82/582879182.db2.gz PBONWTXCVVFPDW-UHFFFAOYSA-N 2 1 267.333 -0.802 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@]3(F)CC[NH2+]C3)CC2)C1 ZINC000829716118 582896036 /nfs/dbraw/zinc/89/60/36/582896036.db2.gz VQESVUOEVMMDIB-ZFWWWQNUSA-N 2 1 298.406 -0.074 20 0 CBADMP CCO[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)C[NH+](C)C ZINC000831703041 582995852 /nfs/dbraw/zinc/99/58/52/582995852.db2.gz PPXUQLSVHQRYLN-BZPMIXESSA-N 2 1 287.404 -0.476 20 0 CBADMP CCO[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C[NH+](C)C ZINC000831703044 582995879 /nfs/dbraw/zinc/99/58/79/582995879.db2.gz PPXUQLSVHQRYLN-SCRDCRAPSA-N 2 1 287.404 -0.476 20 0 CBADMP CCO[C@@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C[NH+](C)C ZINC000831737118 582999805 /nfs/dbraw/zinc/99/98/05/582999805.db2.gz CPYCBASAEAFCAE-KBPBESRZSA-N 2 1 298.431 -0.541 20 0 CBADMP CCO[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH+](C)C ZINC000831745663 583000505 /nfs/dbraw/zinc/00/05/05/583000505.db2.gz UZIFZDSZPYLPMW-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP CCO[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH+](C)C ZINC000831745663 583000506 /nfs/dbraw/zinc/00/05/06/583000506.db2.gz UZIFZDSZPYLPMW-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP CCO[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C[NH+](C)C ZINC000831746548 583000626 /nfs/dbraw/zinc/00/06/26/583000626.db2.gz YJFBWJVTKCRBSH-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CCO[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C[NH+](C)C ZINC000831746548 583000627 /nfs/dbraw/zinc/00/06/27/583000627.db2.gz YJFBWJVTKCRBSH-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000831971511 583009192 /nfs/dbraw/zinc/00/91/92/583009192.db2.gz ZRMNJJDTCVFGQO-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP O=C(NCC[N@@H+]1CCCOCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000832002750 583010198 /nfs/dbraw/zinc/01/01/98/583010198.db2.gz VCVSQNHNUCTOKL-UHFFFAOYSA-N 2 1 293.371 -0.493 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000832002750 583010203 /nfs/dbraw/zinc/01/02/03/583010203.db2.gz VCVSQNHNUCTOKL-UHFFFAOYSA-N 2 1 293.371 -0.493 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@@H]1CCCC[NH2+]1)c1cnn(C)c1 ZINC000832458117 583026402 /nfs/dbraw/zinc/02/64/02/583026402.db2.gz CKZSTSKUGIEEGE-NWDGAFQWSA-N 2 1 265.361 -0.061 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000834569694 583131862 /nfs/dbraw/zinc/13/18/62/583131862.db2.gz TWNUJRKDOMFFEL-HNNXBMFYSA-N 2 1 299.415 -0.376 20 0 CBADMP COC(=O)[C@H]1CN(c2cc(C)[nH+]c(N)n2)CC[N@@H+](C)C1 ZINC000840359757 583164295 /nfs/dbraw/zinc/16/42/95/583164295.db2.gz JQXLZDWZPZIRPQ-SNVBAGLBSA-N 2 1 279.344 -0.092 20 0 CBADMP O=C(NCC[NH2+]C1CC1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000841790194 583174102 /nfs/dbraw/zinc/17/41/02/583174102.db2.gz AJDYWQUGAHQDSK-OLZOCXBDSA-N 2 1 282.388 -0.099 20 0 CBADMP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH2+]1 ZINC000841790808 583174291 /nfs/dbraw/zinc/17/42/91/583174291.db2.gz KLELBMHZCDBKRP-FRRDWIJNSA-N 2 1 282.388 -0.147 20 0 CBADMP C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH2+]1 ZINC000841790806 583174333 /nfs/dbraw/zinc/17/43/33/583174333.db2.gz KLELBMHZCDBKRP-AGIUHOORSA-N 2 1 282.388 -0.147 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000841790824 583174406 /nfs/dbraw/zinc/17/44/06/583174406.db2.gz KSGOXHPYIKRGJG-XQQFMLRXSA-N 2 1 282.388 -0.099 20 0 CBADMP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000843348346 583211848 /nfs/dbraw/zinc/21/18/48/583211848.db2.gz KKSLUMRAXDJZOV-LBPRGKRZSA-N 2 1 298.387 -0.432 20 0 CBADMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000843348346 583211851 /nfs/dbraw/zinc/21/18/51/583211851.db2.gz KKSLUMRAXDJZOV-LBPRGKRZSA-N 2 1 298.387 -0.432 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843475247 583224955 /nfs/dbraw/zinc/22/49/55/583224955.db2.gz HMLKCZNMFBNIEZ-GXFFZTMASA-N 2 1 281.335 -0.405 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000843475248 583225030 /nfs/dbraw/zinc/22/50/30/583225030.db2.gz HMLKCZNMFBNIEZ-MFKMUULPSA-N 2 1 281.335 -0.405 20 0 CBADMP O=C(N1CC[NH2+]C[C@H]1C(F)F)[C@]1(F)CC[NH2+]C1 ZINC000843481162 583226294 /nfs/dbraw/zinc/22/62/94/583226294.db2.gz PQFPBRUCUAPKQS-XVKPBYJWSA-N 2 1 251.252 -0.247 20 0 CBADMP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000843481541 583226490 /nfs/dbraw/zinc/22/64/90/583226490.db2.gz XTOPVHCEGCBVGW-UWVGGRQHSA-N 2 1 277.315 -0.180 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844174688 583256817 /nfs/dbraw/zinc/25/68/17/583256817.db2.gz AMTNIZCJSMDNGK-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844174878 583257245 /nfs/dbraw/zinc/25/72/45/583257245.db2.gz HBLKCPZDLDESBX-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[NH2+]CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000844181326 583258365 /nfs/dbraw/zinc/25/83/65/583258365.db2.gz COLUZHLCHLDNLP-LLVKDONJSA-N 2 1 270.377 -0.701 20 0 CBADMP CC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000844185150 583259493 /nfs/dbraw/zinc/25/94/93/583259493.db2.gz GYLAANSUNGKNAV-GFCCVEGCSA-N 2 1 268.405 -0.119 20 0 CBADMP CC[NH2+]CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000844185150 583259496 /nfs/dbraw/zinc/25/94/96/583259496.db2.gz GYLAANSUNGKNAV-GFCCVEGCSA-N 2 1 268.405 -0.119 20 0 CBADMP [NH3+]CCN(CCO)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848605194 583451794 /nfs/dbraw/zinc/45/17/94/583451794.db2.gz KIXVFYYLJCYBGV-OLZOCXBDSA-N 2 1 284.404 -0.034 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848614797 583452767 /nfs/dbraw/zinc/45/27/67/583452767.db2.gz XPQLARDNMVUCMF-SRVKXCTJSA-N 2 1 282.388 -0.417 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848616411 583453253 /nfs/dbraw/zinc/45/32/53/583453253.db2.gz MGZDBLJRZGDTRB-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP Cc1noc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000848995971 583465575 /nfs/dbraw/zinc/46/55/75/583465575.db2.gz UDGVBGCOEGXJPU-UHFFFAOYSA-N 2 1 282.348 -0.286 20 0 CBADMP CC[C@](C)(O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000848999607 583465870 /nfs/dbraw/zinc/46/58/70/583465870.db2.gz VIMHQMHKZOHVNJ-ZDUSSCGKSA-N 2 1 272.393 -0.016 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[NH+](C)CCN1C ZINC000849008013 583467289 /nfs/dbraw/zinc/46/72/89/583467289.db2.gz LRJZGMOZWLQRMF-KGLIPLIRSA-N 3 1 296.463 -0.170 20 0 CBADMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C ZINC000849008013 583467292 /nfs/dbraw/zinc/46/72/92/583467292.db2.gz LRJZGMOZWLQRMF-KGLIPLIRSA-N 3 1 296.463 -0.170 20 0 CBADMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000849008013 583467294 /nfs/dbraw/zinc/46/72/94/583467294.db2.gz LRJZGMOZWLQRMF-KGLIPLIRSA-N 3 1 296.463 -0.170 20 0 CBADMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CN(C)CCN1C ZINC000849008013 583467297 /nfs/dbraw/zinc/46/72/97/583467297.db2.gz LRJZGMOZWLQRMF-KGLIPLIRSA-N 2 1 296.463 -0.170 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CN(C)CCN1C ZINC000849008013 583467300 /nfs/dbraw/zinc/46/73/00/583467300.db2.gz LRJZGMOZWLQRMF-KGLIPLIRSA-N 2 1 296.463 -0.170 20 0 CBADMP [NH2+]=C(NCCCOCCO)NCCC[NH+]1CCOCC1 ZINC000849017316 583468625 /nfs/dbraw/zinc/46/86/25/583468625.db2.gz RMURGODXYYCYOJ-UHFFFAOYSA-N 2 1 288.392 -0.778 20 0 CBADMP CC1(C)[C@H](O)C[C@@H]1NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849020433 583468789 /nfs/dbraw/zinc/46/87/89/583468789.db2.gz LSZAINDYYLAEQU-NWDGAFQWSA-N 2 1 284.404 -0.018 20 0 CBADMP C[N@H+]1CCN(CCNC(=[NH2+])N2CCOCC2)CC1(C)C ZINC000849026661 583469175 /nfs/dbraw/zinc/46/91/75/583469175.db2.gz MPZDUXJKXHMHKM-UHFFFAOYSA-N 2 1 283.420 -0.131 20 0 CBADMP C[C@@H](O)CCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849023657 583469203 /nfs/dbraw/zinc/46/92/03/583469203.db2.gz RUEMMYRANWMEIJ-GFCCVEGCSA-N 2 1 272.393 -0.016 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1cn[nH]c1 ZINC000849029551 583469496 /nfs/dbraw/zinc/46/94/96/583469496.db2.gz SWGBJGSPOHHWSS-UHFFFAOYSA-N 2 1 280.376 -0.212 20 0 CBADMP [NH2+]=C(NCC[NH+]1CCC(O)CC1)NC[C@H]1CCCO1 ZINC000849038889 583470542 /nfs/dbraw/zinc/47/05/42/583470542.db2.gz WQBRWRAEWWYZLV-GFCCVEGCSA-N 2 1 270.377 -0.264 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=S)NCC(N)=O ZINC000849276217 583475804 /nfs/dbraw/zinc/47/58/04/583475804.db2.gz CMGBJLNKTPDVMX-JTQLQIEISA-N 2 1 289.449 -0.792 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=S)NCC(N)=O ZINC000849276217 583475805 /nfs/dbraw/zinc/47/58/05/583475805.db2.gz CMGBJLNKTPDVMX-JTQLQIEISA-N 2 1 289.449 -0.792 20 0 CBADMP NC(=O)[C@](O)(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000851731980 583523964 /nfs/dbraw/zinc/52/39/64/583523964.db2.gz FUYCDUVLGOWEDC-ZOWXZIJZSA-N 2 1 275.352 -0.489 20 0 CBADMP O[C@@H](CN1CCC([N@H+]2CC[C@H](O)C2)CC1)C[NH+]1CCCC1 ZINC000852710297 583550821 /nfs/dbraw/zinc/55/08/21/583550821.db2.gz NGVVGWNXYXCUIH-JKSUJKDBSA-N 2 1 297.443 -0.026 20 0 CBADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(NC(=O)OC)CC1 ZINC000852761347 583552199 /nfs/dbraw/zinc/55/21/99/583552199.db2.gz KZZXJGPMJCMACL-LBPRGKRZSA-N 2 1 259.350 -0.223 20 0 CBADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000852798094 583553307 /nfs/dbraw/zinc/55/33/07/583553307.db2.gz GASHCVJXDJGDIC-UPJWGTAASA-N 2 1 285.388 -0.282 20 0 CBADMP CC[N@@H+](CCNC(=O)c1cn(CC[NH3+])nn1)C(C)C ZINC000852801336 583553551 /nfs/dbraw/zinc/55/35/51/583553551.db2.gz KCYFJNCUKATSGA-UHFFFAOYSA-N 2 1 268.365 -0.303 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852853955 583561262 /nfs/dbraw/zinc/56/12/62/583561262.db2.gz AHMOVTNCUPRPOI-UWVGGRQHSA-N 2 1 254.334 -0.310 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)NCC[NH+]2CCSCC2)=NO1 ZINC000852859224 583562143 /nfs/dbraw/zinc/56/21/43/583562143.db2.gz PPSVSJLDYPVPOK-VIFPVBQESA-N 2 1 272.374 -0.745 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852859036 583562167 /nfs/dbraw/zinc/56/21/67/583562167.db2.gz MQIRMTKGZHLWHF-SNVBAGLBSA-N 2 1 265.317 -0.199 20 0 CBADMP [NH3+]C[C@H]1CC(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)=NO1 ZINC000852860810 583562524 /nfs/dbraw/zinc/56/25/24/583562524.db2.gz VIPZMWOWCWOIDQ-MWLCHTKSSA-N 2 1 266.345 -0.310 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)=NO1 ZINC000852860607 583562643 /nfs/dbraw/zinc/56/26/43/583562643.db2.gz SRGWYTPRRDLZSY-UMNHJUIQSA-N 2 1 266.345 -0.167 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852864692 583563737 /nfs/dbraw/zinc/56/37/37/583563737.db2.gz FCQABKSCWWKLNR-NXEZZACHSA-N 2 1 256.350 -0.064 20 0 CBADMP CN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000852865416 583563989 /nfs/dbraw/zinc/56/39/89/583563989.db2.gz BVAVKELATLHRIE-MNOVXSKESA-N 2 1 266.345 -0.215 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852870546 583564881 /nfs/dbraw/zinc/56/48/81/583564881.db2.gz VQSKBMJETDQGPO-WDEREUQCSA-N 2 1 268.361 -0.110 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852892732 583570245 /nfs/dbraw/zinc/57/02/45/583570245.db2.gz JSAIYSBCDGVVEE-NSHDSACASA-N 2 1 298.387 -0.341 20 0 CBADMP C[C@@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000852898321 583572053 /nfs/dbraw/zinc/57/20/53/583572053.db2.gz YNUNFQHFTBSHQV-NNYUYHANSA-N 2 1 298.387 -0.296 20 0 CBADMP C[C@@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000852898321 583572054 /nfs/dbraw/zinc/57/20/54/583572054.db2.gz YNUNFQHFTBSHQV-NNYUYHANSA-N 2 1 298.387 -0.296 20 0 CBADMP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000852913674 583574091 /nfs/dbraw/zinc/57/40/91/583574091.db2.gz CJTHCXFOJAFWLS-KGLIPLIRSA-N 2 1 296.415 -0.739 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)c2ccccn2)CC1 ZINC000853099402 583577849 /nfs/dbraw/zinc/57/78/49/583577849.db2.gz RZMQLQLIVADWKZ-AWEZNQCLSA-N 2 1 292.383 -0.131 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CCC1 ZINC000854352588 583599785 /nfs/dbraw/zinc/59/97/85/583599785.db2.gz GMFCVQOMVVINLS-ZDUSSCGKSA-N 2 1 280.416 -0.023 20 0 CBADMP Nc1nc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)nc(N)[nH+]1 ZINC000858374637 583693303 /nfs/dbraw/zinc/69/33/03/583693303.db2.gz RFFWTAAPDJWTTI-SFYZADRCSA-N 2 1 265.321 -0.689 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861573129 583771354 /nfs/dbraw/zinc/77/13/54/583771354.db2.gz BENFFTURIZGBHI-TUAOUCFPSA-N 2 1 270.377 -0.162 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000861647048 583775528 /nfs/dbraw/zinc/77/55/28/583775528.db2.gz ZKCATNMSHGRJJE-UWVGGRQHSA-N 2 1 292.330 -0.651 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861647047 583775547 /nfs/dbraw/zinc/77/55/47/583775547.db2.gz ZKCATNMSHGRJJE-NXEZZACHSA-N 2 1 292.330 -0.651 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000861742853 583783024 /nfs/dbraw/zinc/78/30/24/583783024.db2.gz MFOAVTRZAADVPD-VHSXEESVSA-N 2 1 268.361 -0.855 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861763203 583785116 /nfs/dbraw/zinc/78/51/16/583785116.db2.gz LXLDNYQPSCWSSZ-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000861784273 583786371 /nfs/dbraw/zinc/78/63/71/583786371.db2.gz WAIZPJNOLRMBCM-XQQFMLRXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000861784272 583786383 /nfs/dbraw/zinc/78/63/83/583786383.db2.gz WAIZPJNOLRMBCM-RWMBFGLXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000861784274 583786431 /nfs/dbraw/zinc/78/64/31/583786431.db2.gz WAIZPJNOLRMBCM-YNEHKIRRSA-N 2 1 296.415 -0.075 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861786714 583786554 /nfs/dbraw/zinc/78/65/54/583786554.db2.gz OSRARINWWITZBA-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC000861910213 583791388 /nfs/dbraw/zinc/79/13/88/583791388.db2.gz FHGVNXYSPZHPAE-IMRBUKKESA-N 2 1 267.373 -0.273 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)/C=C\CN1CCOCC1 ZINC000866074857 583915455 /nfs/dbraw/zinc/91/54/55/583915455.db2.gz HOLMGVUSAZHFIS-HYXAFXHYSA-N 2 1 299.415 -0.041 20 0 CBADMP Cn1nnnc1CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000866661399 583926241 /nfs/dbraw/zinc/92/62/41/583926241.db2.gz QFIKGPYJUSCNME-HBNTYKKESA-N 2 1 250.350 -0.188 20 0 CBADMP O=C(C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NC1CC1 ZINC000866706767 583927695 /nfs/dbraw/zinc/92/76/95/583927695.db2.gz CTKCLQHTPYQEGS-TUAOUCFPSA-N 2 1 294.355 -0.868 20 0 CBADMP O=C(C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NC1CC1 ZINC000866706767 583927699 /nfs/dbraw/zinc/92/76/99/583927699.db2.gz CTKCLQHTPYQEGS-TUAOUCFPSA-N 2 1 294.355 -0.868 20 0 CBADMP COCCOCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710844 583927996 /nfs/dbraw/zinc/92/79/96/583927996.db2.gz WMIIBSJZHHVEOW-UPJWGTAASA-N 2 1 299.371 -0.484 20 0 CBADMP COC[C@@H](C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)OC ZINC000866711045 583928024 /nfs/dbraw/zinc/92/80/24/583928024.db2.gz AOAPJIFRUFRUSB-LOWDOPEQSA-N 2 1 299.371 -0.485 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000866708167 583928062 /nfs/dbraw/zinc/92/80/62/583928062.db2.gz DCDWEKNLFHJSSB-MROQNXINSA-N 2 1 281.356 -0.110 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712491 583928353 /nfs/dbraw/zinc/92/83/53/583928353.db2.gz UPWMMXDXUDEZIX-ZDCRXTMVSA-N 2 1 282.344 -0.883 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712491 583928354 /nfs/dbraw/zinc/92/83/54/583928354.db2.gz UPWMMXDXUDEZIX-ZDCRXTMVSA-N 2 1 282.344 -0.883 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000866805654 583933425 /nfs/dbraw/zinc/93/34/25/583933425.db2.gz OEBPHLLJDQQJSM-AOOOYVTPSA-N 2 1 261.391 -0.263 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC[NH2+]1 ZINC000868389230 583976985 /nfs/dbraw/zinc/97/69/85/583976985.db2.gz NZZQZHDQEQXGFM-UPJWGTAASA-N 2 1 294.399 -0.641 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868390993 583977071 /nfs/dbraw/zinc/97/70/71/583977071.db2.gz RLNWYNRRZCWTOR-UTUOFQBUSA-N 2 1 282.388 -0.655 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868410120 583978326 /nfs/dbraw/zinc/97/83/26/583978326.db2.gz JILNXAFKBUGKOQ-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000869780074 584004320 /nfs/dbraw/zinc/00/43/20/584004320.db2.gz CTOLHTKKOWMCOE-NWDGAFQWSA-N 2 1 285.388 -0.722 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000869780074 584004322 /nfs/dbraw/zinc/00/43/22/584004322.db2.gz CTOLHTKKOWMCOE-NWDGAFQWSA-N 2 1 285.388 -0.722 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000869780074 584004324 /nfs/dbraw/zinc/00/43/24/584004324.db2.gz CTOLHTKKOWMCOE-NWDGAFQWSA-N 2 1 285.388 -0.722 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000869780074 584004326 /nfs/dbraw/zinc/00/43/26/584004326.db2.gz CTOLHTKKOWMCOE-NWDGAFQWSA-N 2 1 285.388 -0.722 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870885186 584020409 /nfs/dbraw/zinc/02/04/09/584020409.db2.gz DDAXZKWRBQXZQN-OWYJLGKBSA-N 2 1 280.416 -0.119 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870982267 584023868 /nfs/dbraw/zinc/02/38/68/584023868.db2.gz MEFJBTJPWXUSOH-SDDRHHMPSA-N 2 1 255.362 -0.097 20 0 CBADMP COCCN(C)C(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000871604968 584043676 /nfs/dbraw/zinc/04/36/76/584043676.db2.gz KDMASFDDYHXVCP-LLVKDONJSA-N 2 1 257.382 -0.665 20 0 CBADMP O=C(CCN1CCO[C@@H](C(F)F)C1)N1CCNCC1 ZINC000872146024 584047887 /nfs/dbraw/zinc/04/78/87/584047887.db2.gz CDYIBPVWEPKEEK-SNVBAGLBSA-N 2 1 277.315 -0.226 20 0 CBADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000872154084 584048113 /nfs/dbraw/zinc/04/81/13/584048113.db2.gz LTKVXCFRUKPXDJ-GXTWGEPZSA-N 3 1 266.389 -0.650 20 0 CBADMP C[C@]12C[NH2+]C[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C2 ZINC000872154084 584048115 /nfs/dbraw/zinc/04/81/15/584048115.db2.gz LTKVXCFRUKPXDJ-GXTWGEPZSA-N 2 1 266.389 -0.650 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC000872201689 584049835 /nfs/dbraw/zinc/04/98/35/584049835.db2.gz HLWYOLDSGBSPJR-LBPRGKRZSA-N 2 1 287.404 -0.738 20 0 CBADMP COC(=O)C1CC([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000872228084 584051386 /nfs/dbraw/zinc/05/13/86/584051386.db2.gz WMVGVAYVTVYOMO-HTAVTVPLSA-N 2 1 256.346 -0.016 20 0 CBADMP 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 584068911 /nfs/dbraw/zinc/06/89/11/584068911.db2.gz FLQZWWNPTHDPDI-KXNHARMFSA-N 2 1 265.357 -0.079 20 0 CBADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000873229423 584068962 /nfs/dbraw/zinc/06/89/62/584068962.db2.gz YITNBSXUZAUDRD-VNHYZAJKSA-N 3 1 280.416 -0.275 20 0 CBADMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000873220355 584068982 /nfs/dbraw/zinc/06/89/82/584068982.db2.gz SXUCCLIUDCLXGI-GARJFASQSA-N 2 1 253.346 -0.094 20 0 CBADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000873220355 584068983 /nfs/dbraw/zinc/06/89/83/584068983.db2.gz SXUCCLIUDCLXGI-GARJFASQSA-N 2 1 253.346 -0.094 20 0 CBADMP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000873262651 584069578 /nfs/dbraw/zinc/06/95/78/584069578.db2.gz OBGRJTCANGFLPZ-QWRGUYRKSA-N 2 1 293.433 -0.342 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC000873989001 584075748 /nfs/dbraw/zinc/07/57/48/584075748.db2.gz YVWBHVYPNLRRRO-UHFFFAOYSA-N 2 1 282.388 -0.591 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)CC1 ZINC000874837056 584092216 /nfs/dbraw/zinc/09/22/16/584092216.db2.gz HQFQDDAOBGXUQK-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)CC1 ZINC000874837056 584092217 /nfs/dbraw/zinc/09/22/17/584092217.db2.gz HQFQDDAOBGXUQK-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)CC[NH2+]CC2CC2)CC1 ZINC000876721624 584140788 /nfs/dbraw/zinc/14/07/88/584140788.db2.gz KMWFICLFRNGKHI-UHFFFAOYSA-N 2 1 296.415 -0.344 20 0 CBADMP [NH3+]C[C@]1(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCCOC1 ZINC000876743773 584142008 /nfs/dbraw/zinc/14/20/08/584142008.db2.gz IMKIHGQROBSONG-KCQAQPDRSA-N 2 1 297.399 -0.279 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C[NH+]1CCOCC1 ZINC000876745664 584142187 /nfs/dbraw/zinc/14/21/87/584142187.db2.gz FWBWLOGENZQQLE-VWYCJHECSA-N 2 1 291.342 -0.089 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876749599 584142321 /nfs/dbraw/zinc/14/23/21/584142321.db2.gz ALGWZHBOJUMFAI-RYUDHWBXSA-N 2 1 256.394 -0.134 20 0 CBADMP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000876753462 584142466 /nfs/dbraw/zinc/14/24/66/584142466.db2.gz KZGHJLRHTZNLBJ-YIYPIFLZSA-N 2 1 299.390 -0.008 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000876764415 584143129 /nfs/dbraw/zinc/14/31/29/584143129.db2.gz NKIHELBWUHIKQZ-IHRRRGAJSA-N 2 1 298.431 -0.365 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000876764413 584143281 /nfs/dbraw/zinc/14/32/81/584143281.db2.gz NKIHELBWUHIKQZ-BFHYXJOUSA-N 2 1 298.431 -0.365 20 0 CBADMP COC[C@]1(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[NH2+]CCO1 ZINC000876772854 584144004 /nfs/dbraw/zinc/14/40/04/584144004.db2.gz SMCNNMQYGIUJML-YDHLFZDLSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000876775097 584144021 /nfs/dbraw/zinc/14/40/21/584144021.db2.gz OHPQCTZGUCXBFO-DZGCQCFKSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876782374 584144257 /nfs/dbraw/zinc/14/42/57/584144257.db2.gz POXLBDRODCWCAX-KBPBESRZSA-N 2 1 299.463 -0.735 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000876838220 584148448 /nfs/dbraw/zinc/14/84/48/584148448.db2.gz KBPFWCSUDRQVIE-QWHCGFSZSA-N 2 1 277.372 -0.557 20 0 CBADMP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[NH2+]C[C@@H]2C(F)F)C1(F)F ZINC000876853922 584149954 /nfs/dbraw/zinc/14/99/54/584149954.db2.gz QATFZZPESBWODB-FSDSQADBSA-N 2 1 269.242 -0.108 20 0 CBADMP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[NH2+]C[C@H]2C(F)F)C1(F)F ZINC000876853918 584149957 /nfs/dbraw/zinc/14/99/57/584149957.db2.gz QATFZZPESBWODB-DSYKOEDSSA-N 2 1 269.242 -0.108 20 0 CBADMP COC[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]CCO1 ZINC000876885067 584153106 /nfs/dbraw/zinc/15/31/06/584153106.db2.gz UDTSZYHUZSRJHL-IPYPFGDCSA-N 2 1 297.399 -0.314 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000876885255 584153265 /nfs/dbraw/zinc/15/32/65/584153265.db2.gz KNAFNLSOYJOJIO-FRRDWIJNSA-N 2 1 268.405 -0.182 20 0 CBADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000876893507 584153562 /nfs/dbraw/zinc/15/35/62/584153562.db2.gz LNGREXKCOANZIX-LBPRGKRZSA-N 2 1 267.377 -0.071 20 0 CBADMP [NH3+]C[C@@H]1[C@H](C(=O)NCC[N@H+]2CCCOCC2)C1(F)F ZINC000876890954 584153697 /nfs/dbraw/zinc/15/36/97/584153697.db2.gz MKXIMYRXUWSIJL-NXEZZACHSA-N 2 1 277.315 -0.335 20 0 CBADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000876973390 584159199 /nfs/dbraw/zinc/15/91/99/584159199.db2.gz ZIOLVOZSEBACRZ-IDNBYQFASA-N 2 1 292.427 -0.096 20 0 CBADMP CCN1CC[NH+](CCC(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000877102537 584166044 /nfs/dbraw/zinc/16/60/44/584166044.db2.gz JYMWRMJEOZBHPQ-GFCCVEGCSA-N 2 1 256.394 -0.180 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877250626 584172716 /nfs/dbraw/zinc/17/27/16/584172716.db2.gz QYSOXRZCVICPAW-DYEKYZERSA-N 2 1 296.415 -0.362 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877450824 584182402 /nfs/dbraw/zinc/18/24/02/584182402.db2.gz GDUALWWLFOFSFZ-XPCVCDNBSA-N 2 1 279.384 -0.083 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000877451596 584182621 /nfs/dbraw/zinc/18/26/21/584182621.db2.gz RTMCRSAWKQRAKN-TUAOUCFPSA-N 2 1 283.372 -0.038 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878093166 584192249 /nfs/dbraw/zinc/19/22/49/584192249.db2.gz CIOADSPKEXZMFP-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878161790 584194407 /nfs/dbraw/zinc/19/44/07/584194407.db2.gz CFVWXZBDNMZXKT-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000878159458 584194536 /nfs/dbraw/zinc/19/45/36/584194536.db2.gz XMDJZDLZRPWRGK-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](C)(O)C2)CC1 ZINC000878165586 584194791 /nfs/dbraw/zinc/19/47/91/584194791.db2.gz YVQWAAIGNZVZSD-CYBMUJFWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](C)(O)C2)CC1 ZINC000878165587 584194849 /nfs/dbraw/zinc/19/48/49/584194849.db2.gz YVQWAAIGNZVZSD-ZDUSSCGKSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H]1O ZINC000878336458 584200811 /nfs/dbraw/zinc/20/08/11/584200811.db2.gz YCOVFWQREFTFOS-JQWIXIFHSA-N 2 1 255.362 -0.491 20 0 CBADMP COCCOCC[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878626246 584210829 /nfs/dbraw/zinc/21/08/29/584210829.db2.gz QJHYWWDPDNBCAV-UHFFFAOYSA-N 2 1 287.404 -0.208 20 0 CBADMP COCCOCC[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878626246 584210831 /nfs/dbraw/zinc/21/08/31/584210831.db2.gz QJHYWWDPDNBCAV-UHFFFAOYSA-N 2 1 287.404 -0.208 20 0 CBADMP CO[C@@]1(CO)CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878915584 584220419 /nfs/dbraw/zinc/22/04/19/584220419.db2.gz WYFZXTXQIAHGHC-HNNXBMFYSA-N 2 1 299.415 -0.330 20 0 CBADMP CO[C@@]1(CO)CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878915584 584220422 /nfs/dbraw/zinc/22/04/22/584220422.db2.gz WYFZXTXQIAHGHC-HNNXBMFYSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@]12C[N@@H+](C[C@H](O)C[NH+]3CCCC3)C[C@@]1(C)C(=O)NC2=O ZINC000879158775 584228795 /nfs/dbraw/zinc/22/87/95/584228795.db2.gz XYMIGOJLEQIXIK-DFBGVHRSSA-N 2 1 295.383 -0.572 20 0 CBADMP COC(=O)CNC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573215 584241449 /nfs/dbraw/zinc/24/14/49/584241449.db2.gz MSZYLCLLROXXDA-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573215 584241451 /nfs/dbraw/zinc/24/14/51/584241451.db2.gz MSZYLCLLROXXDA-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573215 584241452 /nfs/dbraw/zinc/24/14/52/584241452.db2.gz MSZYLCLLROXXDA-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573215 584241454 /nfs/dbraw/zinc/24/14/54/584241454.db2.gz MSZYLCLLROXXDA-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579418 584242039 /nfs/dbraw/zinc/24/20/39/584242039.db2.gz LGLYXSZHWVMLQH-WDEREUQCSA-N 2 1 250.350 -0.221 20 0 CBADMP Cn1nnnc1CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579418 584242041 /nfs/dbraw/zinc/24/20/41/584242041.db2.gz LGLYXSZHWVMLQH-WDEREUQCSA-N 2 1 250.350 -0.221 20 0 CBADMP Cn1nnnc1CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579418 584242044 /nfs/dbraw/zinc/24/20/44/584242044.db2.gz LGLYXSZHWVMLQH-WDEREUQCSA-N 2 1 250.350 -0.221 20 0 CBADMP Cn1nnnc1CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579418 584242045 /nfs/dbraw/zinc/24/20/45/584242045.db2.gz LGLYXSZHWVMLQH-WDEREUQCSA-N 2 1 250.350 -0.221 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879998385 584259085 /nfs/dbraw/zinc/25/90/85/584259085.db2.gz RMHCFKVPPDIXJK-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879998385 584259087 /nfs/dbraw/zinc/25/90/87/584259087.db2.gz RMHCFKVPPDIXJK-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879998716 584259347 /nfs/dbraw/zinc/25/93/47/584259347.db2.gz YOPYDEXPJGZSIL-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000879998620 584259361 /nfs/dbraw/zinc/25/93/61/584259361.db2.gz WQBVNCFQACJXJZ-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000879998620 584259362 /nfs/dbraw/zinc/25/93/62/584259362.db2.gz WQBVNCFQACJXJZ-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP OC[C@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000880070673 584260558 /nfs/dbraw/zinc/26/05/58/584260558.db2.gz KBGFRCKJFCLMAU-ZNMIVQPWSA-N 2 1 283.416 -0.416 20 0 CBADMP CC(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000880309452 584268704 /nfs/dbraw/zinc/26/87/04/584268704.db2.gz WZQJYBXUUVLIPA-QLFBSQMISA-N 2 1 281.400 -0.147 20 0 CBADMP CC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000880309452 584268706 /nfs/dbraw/zinc/26/87/06/584268706.db2.gz WZQJYBXUUVLIPA-QLFBSQMISA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC=C[C@@H]2CO)CC1 ZINC000880489459 584276141 /nfs/dbraw/zinc/27/61/41/584276141.db2.gz TYIYTWBCFFWBCN-GFCCVEGCSA-N 2 1 253.346 -0.617 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC=C[C@@H]2CO)CC1 ZINC000880489459 584276143 /nfs/dbraw/zinc/27/61/43/584276143.db2.gz TYIYTWBCFFWBCN-GFCCVEGCSA-N 2 1 253.346 -0.617 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC=C[C@H]2CO)CC1 ZINC000880489460 584276155 /nfs/dbraw/zinc/27/61/55/584276155.db2.gz TYIYTWBCFFWBCN-LBPRGKRZSA-N 2 1 253.346 -0.617 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC=C[C@H]2CO)CC1 ZINC000880489460 584276157 /nfs/dbraw/zinc/27/61/57/584276157.db2.gz TYIYTWBCFFWBCN-LBPRGKRZSA-N 2 1 253.346 -0.617 20 0 CBADMP O=C1C[NH2+]CCN1[C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883424748 584341790 /nfs/dbraw/zinc/34/17/90/584341790.db2.gz CFKMCGLXYKSMBY-AVGNSLFASA-N 2 1 284.379 -0.417 20 0 CBADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCn3cnnn3)C2)C1 ZINC000883434726 584342350 /nfs/dbraw/zinc/34/23/50/584342350.db2.gz ZMFCTHUOAMFCOY-XQQFMLRXSA-N 2 1 280.376 -0.109 20 0 CBADMP C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)CCO1 ZINC000883442957 584343013 /nfs/dbraw/zinc/34/30/13/584343013.db2.gz WQCFVKQIYVBCIZ-VWYCJHECSA-N 2 1 255.362 -0.051 20 0 CBADMP CC(C)C[C@@H](C(N)=O)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000883461858 584343138 /nfs/dbraw/zinc/34/31/38/584343138.db2.gz FEEIOJKAWJCFQO-LBPRGKRZSA-N 2 1 256.394 -0.277 20 0 CBADMP O=C1NCC[C@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)[C@@H]12 ZINC000883462322 584343146 /nfs/dbraw/zinc/34/31/46/584343146.db2.gz OHZYPAPVUNOWBD-CHWSQXEVSA-N 2 1 266.389 -0.508 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000884211405 584367381 /nfs/dbraw/zinc/36/73/81/584367381.db2.gz CKBNYJWOYPPYRP-WOPDTQHZSA-N 2 1 271.361 -0.982 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000884213162 584367596 /nfs/dbraw/zinc/36/75/96/584367596.db2.gz UXZBEYMQQDAZKQ-NWDGAFQWSA-N 2 1 255.362 -0.049 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000884233548 584368975 /nfs/dbraw/zinc/36/89/75/584368975.db2.gz RQCHDBDPSGDLLU-ZMLRMANQSA-N 2 1 255.362 -0.051 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000884316177 584373622 /nfs/dbraw/zinc/37/36/22/584373622.db2.gz LOUMVFYLQIESON-UTUOFQBUSA-N 2 1 255.362 -0.097 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000884370057 584377238 /nfs/dbraw/zinc/37/72/38/584377238.db2.gz YKWKLNMNQZCQRG-GFCCVEGCSA-N 2 1 287.404 -0.081 20 0 CBADMP COCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389991 584378355 /nfs/dbraw/zinc/37/83/55/584378355.db2.gz LJMRNSVMEONFDG-NDBYEHHHSA-N 2 1 287.404 -0.036 20 0 CBADMP COCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389991 584378356 /nfs/dbraw/zinc/37/83/56/584378356.db2.gz LJMRNSVMEONFDG-NDBYEHHHSA-N 2 1 287.404 -0.036 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000884463545 584382932 /nfs/dbraw/zinc/38/29/32/584382932.db2.gz KQVJRVUYZDVPEU-NSHDSACASA-N 2 1 279.344 -0.597 20 0 CBADMP CCN(C(=O)C(=O)NCCn1cc[nH+]c1C)[C@H]1CC[NH2+]C1 ZINC000884545800 584387328 /nfs/dbraw/zinc/38/73/28/584387328.db2.gz ROIXXIIRJZZSTN-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000884554382 584387750 /nfs/dbraw/zinc/38/77/50/584387750.db2.gz SGKDNFLTVJMFTJ-GHMZBOCLSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[N@H+]1C1CC1 ZINC000884553969 584387766 /nfs/dbraw/zinc/38/77/66/584387766.db2.gz KWAAOBOMLXGWPR-KQXIARHKSA-N 2 1 292.383 -0.700 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000884577194 584388815 /nfs/dbraw/zinc/38/88/15/584388815.db2.gz ZHVOOZYHUPBKCV-UPJWGTAASA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)C1CC1 ZINC000884601527 584389712 /nfs/dbraw/zinc/38/97/12/584389712.db2.gz NYNHXTGTZMNQIR-MNOVXSKESA-N 2 1 282.388 -0.465 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884601489 584389744 /nfs/dbraw/zinc/38/97/44/584389744.db2.gz MUKNHQMCDRJFLG-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[N@@H+](C)C1CC1 ZINC000884616783 584391215 /nfs/dbraw/zinc/39/12/15/584391215.db2.gz BRWFWNGAWYQFGT-NHCYSSNCSA-N 2 1 280.372 -0.842 20 0 CBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884627055 584391651 /nfs/dbraw/zinc/39/16/51/584391651.db2.gz CIUVPYBXEYSOBB-MDZLAQPJSA-N 2 1 292.383 -0.840 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884670272 584394074 /nfs/dbraw/zinc/39/40/74/584394074.db2.gz UJIWPUCHGMWWNV-JHJVBQTASA-N 2 1 294.399 -0.321 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC3CC[NH2+]CC3)CC[C@@H]21 ZINC000884675678 584394631 /nfs/dbraw/zinc/39/46/31/584394631.db2.gz LOVULRMAFXZLAZ-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1(C)C ZINC000884682708 584395710 /nfs/dbraw/zinc/39/57/10/584395710.db2.gz IQPFHFOGYFEPDX-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1(C)C ZINC000884682708 584395713 /nfs/dbraw/zinc/39/57/13/584395713.db2.gz IQPFHFOGYFEPDX-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1(C)C ZINC000884688306 584396938 /nfs/dbraw/zinc/39/69/38/584396938.db2.gz YIGVTDNPPDKRSC-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1(C)C ZINC000884688306 584396940 /nfs/dbraw/zinc/39/69/40/584396940.db2.gz YIGVTDNPPDKRSC-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884701588 584398596 /nfs/dbraw/zinc/39/85/96/584398596.db2.gz KZMMLFYKIGGDOZ-UPJWGTAASA-N 2 1 296.415 -0.362 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1(C)C ZINC000884709219 584399748 /nfs/dbraw/zinc/39/97/48/584399748.db2.gz ZWGRBELCLZKWCY-UHFFFAOYSA-N 2 1 270.377 -0.608 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1(C)C ZINC000884709219 584399750 /nfs/dbraw/zinc/39/97/50/584399750.db2.gz ZWGRBELCLZKWCY-UHFFFAOYSA-N 2 1 270.377 -0.608 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[C@H]21 ZINC000884709025 584399814 /nfs/dbraw/zinc/39/98/14/584399814.db2.gz SGUZWBXOULDVRU-GHMZBOCLSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884716954 584400090 /nfs/dbraw/zinc/40/00/90/584400090.db2.gz OAPUENGPPIYPJG-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884716954 584400091 /nfs/dbraw/zinc/40/00/91/584400091.db2.gz OAPUENGPPIYPJG-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884796224 584402519 /nfs/dbraw/zinc/40/25/19/584402519.db2.gz DCZTVKZTDYVZKD-JTQLQIEISA-N 2 1 270.377 -0.737 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884796224 584402521 /nfs/dbraw/zinc/40/25/21/584402521.db2.gz DCZTVKZTDYVZKD-JTQLQIEISA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884824064 584403972 /nfs/dbraw/zinc/40/39/72/584403972.db2.gz PPSKZBQGEFPFEI-WUHRBBMRSA-N 2 1 294.399 -0.594 20 0 CBADMP C[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885866553 584428869 /nfs/dbraw/zinc/42/88/69/584428869.db2.gz YOMDHVUUSWNHFT-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000885866553 584428872 /nfs/dbraw/zinc/42/88/72/584428872.db2.gz YOMDHVUUSWNHFT-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000886590565 584443737 /nfs/dbraw/zinc/44/37/37/584443737.db2.gz YQTMVAOOPUMOQN-WZRBSPASSA-N 2 1 256.346 -0.016 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000886590565 584443738 /nfs/dbraw/zinc/44/37/38/584443738.db2.gz YQTMVAOOPUMOQN-WZRBSPASSA-N 2 1 256.346 -0.016 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000886968576 584452689 /nfs/dbraw/zinc/45/26/89/584452689.db2.gz IWXXXFYHGBLTMC-SSDOTTSWSA-N 2 1 272.271 -0.901 20 0 CBADMP C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC000887931924 584477749 /nfs/dbraw/zinc/47/77/49/584477749.db2.gz NIZLRXXJOXUZGY-BZPMIXESSA-N 2 1 267.373 -0.273 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC000887931924 584477752 /nfs/dbraw/zinc/47/77/52/584477752.db2.gz NIZLRXXJOXUZGY-BZPMIXESSA-N 2 1 267.373 -0.273 20 0 CBADMP C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC000887931924 584477754 /nfs/dbraw/zinc/47/77/54/584477754.db2.gz NIZLRXXJOXUZGY-BZPMIXESSA-N 2 1 267.373 -0.273 20 0 CBADMP C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC000887931924 584477756 /nfs/dbraw/zinc/47/77/56/584477756.db2.gz NIZLRXXJOXUZGY-BZPMIXESSA-N 2 1 267.373 -0.273 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000891514651 584583595 /nfs/dbraw/zinc/58/35/95/584583595.db2.gz WDVKOUHNKADCON-FRRDWIJNSA-N 2 1 282.388 -0.018 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000891513949 584583623 /nfs/dbraw/zinc/58/36/23/584583623.db2.gz KHPDEANIMLUKMJ-XQHKEYJVSA-N 2 1 282.388 -0.114 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000891514720 584583633 /nfs/dbraw/zinc/58/36/33/584583633.db2.gz YEBXPKLSAJFCBO-YVECIDJPSA-N 2 1 282.388 -0.019 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891536738 584584408 /nfs/dbraw/zinc/58/44/08/584584408.db2.gz GTHGECNTHRXEBL-AVGNSLFASA-N 2 1 282.388 -0.147 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000891540843 584584930 /nfs/dbraw/zinc/58/49/30/584584930.db2.gz YVPCAZHJVWERKL-UTUOFQBUSA-N 2 1 269.393 -0.637 20 0 CBADMP CN1CCN(C(=O)NCCn2ccnc2)CC[N@@H+](C)CC1 ZINC000891555999 584585706 /nfs/dbraw/zinc/58/57/06/584585706.db2.gz TUGQWUXITVXOHF-UHFFFAOYSA-N 2 1 294.403 -0.228 20 0 CBADMP C[C@@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)CN1CC[NH+](C)CC1 ZINC000891604059 584587803 /nfs/dbraw/zinc/58/78/03/584587803.db2.gz VPOQODCVCPGIIV-IHRRRGAJSA-N 2 1 295.431 -0.374 20 0 CBADMP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000891697444 584589989 /nfs/dbraw/zinc/58/99/89/584589989.db2.gz DCUNQEVRELDASQ-WISYIIOYSA-N 2 1 270.377 -0.258 20 0 CBADMP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000891697444 584589991 /nfs/dbraw/zinc/58/99/91/584589991.db2.gz DCUNQEVRELDASQ-WISYIIOYSA-N 2 1 270.377 -0.258 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891919455 584594370 /nfs/dbraw/zinc/59/43/70/584594370.db2.gz RMOFSPMTQOIRRH-BETUJISGSA-N 2 1 282.388 -0.146 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)NCC3C[NH2+]C3)CC[C@@H]21 ZINC000892047698 584601279 /nfs/dbraw/zinc/60/12/79/584601279.db2.gz ARBFZRLTQNJZED-RYUDHWBXSA-N 2 1 252.362 -0.059 20 0 CBADMP COCC[NH2+]CCNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000892051722 584601610 /nfs/dbraw/zinc/60/16/10/584601610.db2.gz WUELXHVLTYUYES-OLZOCXBDSA-N 2 1 284.404 -0.042 20 0 CBADMP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000892140978 584605887 /nfs/dbraw/zinc/60/58/87/584605887.db2.gz GIEOHUNKTKKGPZ-DCAQKATOSA-N 2 1 272.393 -0.134 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000892181830 584608011 /nfs/dbraw/zinc/60/80/11/584608011.db2.gz VYBQNEGMFJJKGG-UPJWGTAASA-N 2 1 282.388 -0.290 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000892551451 584618413 /nfs/dbraw/zinc/61/84/13/584618413.db2.gz ILSVZSKOLLAGHL-FRRDWIJNSA-N 2 1 284.404 -0.130 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892573170 584619475 /nfs/dbraw/zinc/61/94/75/584619475.db2.gz XXNJRLMOWBHMGC-XYPYZODXSA-N 2 1 258.366 -0.663 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000892686875 584622611 /nfs/dbraw/zinc/62/26/11/584622611.db2.gz DZBMVKSPOUIUFX-OLZOCXBDSA-N 2 1 284.404 -0.090 20 0 CBADMP COCC[NH+](C)CCNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000892686875 584622615 /nfs/dbraw/zinc/62/26/15/584622615.db2.gz DZBMVKSPOUIUFX-OLZOCXBDSA-N 2 1 284.404 -0.090 20 0 CBADMP COCC[NH+](C)CCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000892686875 584622618 /nfs/dbraw/zinc/62/26/18/584622618.db2.gz DZBMVKSPOUIUFX-OLZOCXBDSA-N 2 1 284.404 -0.090 20 0 CBADMP COCCOC[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000892925375 584629740 /nfs/dbraw/zinc/62/97/40/584629740.db2.gz CVRHBODHLPWHPD-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP C[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[C@H]1C[NH+](C)CCO1 ZINC000893764246 584645003 /nfs/dbraw/zinc/64/50/03/584645003.db2.gz LIHUPMXSMKNMKW-YIYPIFLZSA-N 2 1 296.415 -0.092 20 0 CBADMP C[C@@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[C@H]1C[NH+](C)CCO1 ZINC000893764246 584645006 /nfs/dbraw/zinc/64/50/06/584645006.db2.gz LIHUPMXSMKNMKW-YIYPIFLZSA-N 2 1 296.415 -0.092 20 0 CBADMP C[C@@H](NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[C@H]1C[N@H+](C)CCO1 ZINC000893764246 584645007 /nfs/dbraw/zinc/64/50/07/584645007.db2.gz LIHUPMXSMKNMKW-YIYPIFLZSA-N 2 1 296.415 -0.092 20 0 CBADMP C[C@@H](NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000893764246 584645009 /nfs/dbraw/zinc/64/50/09/584645009.db2.gz LIHUPMXSMKNMKW-YIYPIFLZSA-N 2 1 296.415 -0.092 20 0 CBADMP C[NH+](C)CCOCCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000894366649 584656723 /nfs/dbraw/zinc/65/67/23/584656723.db2.gz MVQCWXXZNLCBRK-OLZOCXBDSA-N 2 1 284.404 -0.090 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)NCC[NH+]3CCCOCC3)C[C@H]2C1 ZINC000895045940 584670143 /nfs/dbraw/zinc/67/01/43/584670143.db2.gz CQTKXTRVFYUVEK-OKILXGFUSA-N 2 1 296.415 -0.088 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)NCC[N@@H+]3CCCOCC3)C[C@H]2C1 ZINC000895045940 584670145 /nfs/dbraw/zinc/67/01/45/584670145.db2.gz CQTKXTRVFYUVEK-OKILXGFUSA-N 2 1 296.415 -0.088 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)NCC[N@H+]3CCCOCC3)C[C@H]2C1 ZINC000895045940 584670146 /nfs/dbraw/zinc/67/01/46/584670146.db2.gz CQTKXTRVFYUVEK-OKILXGFUSA-N 2 1 296.415 -0.088 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CCN(CCO)CC1 ZINC000895586320 584682089 /nfs/dbraw/zinc/68/20/89/584682089.db2.gz SEJKLULRTNFRGY-GFCCVEGCSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1C[NH+](C)CCN1C ZINC000896529263 584700682 /nfs/dbraw/zinc/70/06/82/584700682.db2.gz AGLUWHSHXFXRST-RWMBFGLXSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@H+](C)CCN1C ZINC000896529263 584700683 /nfs/dbraw/zinc/70/06/83/584700683.db2.gz AGLUWHSHXFXRST-RWMBFGLXSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896537446 584701448 /nfs/dbraw/zinc/70/14/48/584701448.db2.gz YWJCKPBIDFYJAG-NWDGAFQWSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@H]1[C@H](NC(=O)N2CCN(C)CC[NH+](C)CC2)CC[N@H+]1C ZINC000896617783 584704073 /nfs/dbraw/zinc/70/40/73/584704073.db2.gz KADYEDBESCXMMB-UONOGXRCSA-N 2 1 297.447 -0.032 20 0 CBADMP C[C@H]1[C@H](NC(=O)N2CCN(C)CC[N@H+](C)CC2)CC[NH+]1C ZINC000896617783 584704074 /nfs/dbraw/zinc/70/40/74/584704074.db2.gz KADYEDBESCXMMB-UONOGXRCSA-N 2 1 297.447 -0.032 20 0 CBADMP C[C@H]1[C@H](NC(=O)N2CCN(C)CC[N@@H+](C)CC2)CC[NH+]1C ZINC000896617783 584704075 /nfs/dbraw/zinc/70/40/75/584704075.db2.gz KADYEDBESCXMMB-UONOGXRCSA-N 2 1 297.447 -0.032 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000897313958 584712677 /nfs/dbraw/zinc/71/26/77/584712677.db2.gz TZXMIDIOLPYNTE-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000897313958 584712679 /nfs/dbraw/zinc/71/26/79/584712679.db2.gz TZXMIDIOLPYNTE-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000897341209 584713710 /nfs/dbraw/zinc/71/37/10/584713710.db2.gz HCOWGJQHOQMHJW-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000897341209 584713712 /nfs/dbraw/zinc/71/37/12/584713712.db2.gz HCOWGJQHOQMHJW-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H]1CCC[NH+]1CCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000897515036 584719322 /nfs/dbraw/zinc/71/93/22/584719322.db2.gz HPRUMKZCZZPZSU-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](C)C(C)(C)C1)C1CC1 ZINC000897550948 584720166 /nfs/dbraw/zinc/72/01/66/584720166.db2.gz ZPINQIJZYOQNLN-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C)C(C)(C)C1)C1CC1 ZINC000897550948 584720167 /nfs/dbraw/zinc/72/01/67/584720167.db2.gz ZPINQIJZYOQNLN-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](CCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000897550948 584720168 /nfs/dbraw/zinc/72/01/68/584720168.db2.gz ZPINQIJZYOQNLN-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](CCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000897550948 584720169 /nfs/dbraw/zinc/72/01/69/584720169.db2.gz ZPINQIJZYOQNLN-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2CC)C1 ZINC000898127700 584731608 /nfs/dbraw/zinc/73/16/08/584731608.db2.gz ILQHLQJQZULIAE-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2CC)C1 ZINC000898127700 584731610 /nfs/dbraw/zinc/73/16/10/584731610.db2.gz ILQHLQJQZULIAE-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2CC)C1 ZINC000898127700 584731612 /nfs/dbraw/zinc/73/16/12/584731612.db2.gz ILQHLQJQZULIAE-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2CC)C1 ZINC000898127700 584731614 /nfs/dbraw/zinc/73/16/14/584731614.db2.gz ILQHLQJQZULIAE-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP COCC[NH+](CCOC)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000898254703 584733461 /nfs/dbraw/zinc/73/34/61/584733461.db2.gz DSMOYBXSDFBZPR-CYBMUJFWSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[NH+](CCOC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000898254703 584733462 /nfs/dbraw/zinc/73/34/62/584733462.db2.gz DSMOYBXSDFBZPR-CYBMUJFWSA-N 2 1 299.415 -0.256 20 0 CBADMP C[NH+]1CCC2(CC[N@H+]2CCC(=O)NC(N)=O)CC1 ZINC000899911796 584784400 /nfs/dbraw/zinc/78/44/00/584784400.db2.gz YOMCIHHOVXDKRP-UHFFFAOYSA-N 2 1 254.334 -0.259 20 0 CBADMP C[NH+](C)CCCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000899919786 584784939 /nfs/dbraw/zinc/78/49/39/584784939.db2.gz FVQTZCYBVWMERC-ZDUSSCGKSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC[NH+](C)CC1 ZINC000899935479 584785634 /nfs/dbraw/zinc/78/56/34/584785634.db2.gz NSSWVUFBPKHGKE-AAEUAGOBSA-N 2 1 255.362 -0.394 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC[N@H+](C)CC1 ZINC000899935479 584785636 /nfs/dbraw/zinc/78/56/36/584785636.db2.gz NSSWVUFBPKHGKE-AAEUAGOBSA-N 2 1 255.362 -0.394 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[NH+](C)CC1 ZINC000899935480 584785782 /nfs/dbraw/zinc/78/57/82/584785782.db2.gz NSSWVUFBPKHGKE-DGCLKSJQSA-N 2 1 255.362 -0.394 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[N@H+](C)CC1 ZINC000899935480 584785784 /nfs/dbraw/zinc/78/57/84/584785784.db2.gz NSSWVUFBPKHGKE-DGCLKSJQSA-N 2 1 255.362 -0.394 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000900192638 584794848 /nfs/dbraw/zinc/79/48/48/584794848.db2.gz UGWLLNJHJKQGPT-GXTWGEPZSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900192638 584794851 /nfs/dbraw/zinc/79/48/51/584794851.db2.gz UGWLLNJHJKQGPT-GXTWGEPZSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900192638 584794853 /nfs/dbraw/zinc/79/48/53/584794853.db2.gz UGWLLNJHJKQGPT-GXTWGEPZSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000900192641 584794980 /nfs/dbraw/zinc/79/49/80/584794980.db2.gz UGWLLNJHJKQGPT-TZMCWYRMSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900192641 584794982 /nfs/dbraw/zinc/79/49/82/584794982.db2.gz UGWLLNJHJKQGPT-TZMCWYRMSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900192641 584794984 /nfs/dbraw/zinc/79/49/84/584794984.db2.gz UGWLLNJHJKQGPT-TZMCWYRMSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900306604 584799158 /nfs/dbraw/zinc/79/91/58/584799158.db2.gz UOZKKLWRSPRTHE-DYEKYZERSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+]1CC[C@H](CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900306604 584799160 /nfs/dbraw/zinc/79/91/60/584799160.db2.gz UOZKKLWRSPRTHE-DYEKYZERSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+]1CC[C@H](CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900306604 584799162 /nfs/dbraw/zinc/79/91/62/584799162.db2.gz UOZKKLWRSPRTHE-DYEKYZERSA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC1 ZINC000900374129 584801260 /nfs/dbraw/zinc/80/12/60/584801260.db2.gz MNMYIEAKTPCJDA-UKRRQHHQSA-N 2 1 299.415 -0.378 20 0 CBADMP COCC[NH+]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900374129 584801261 /nfs/dbraw/zinc/80/12/61/584801261.db2.gz MNMYIEAKTPCJDA-UKRRQHHQSA-N 2 1 299.415 -0.378 20 0 CBADMP COCC[NH+]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900374129 584801263 /nfs/dbraw/zinc/80/12/63/584801263.db2.gz MNMYIEAKTPCJDA-UKRRQHHQSA-N 2 1 299.415 -0.378 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000900374127 584801328 /nfs/dbraw/zinc/80/13/28/584801328.db2.gz MNMYIEAKTPCJDA-DZGCQCFKSA-N 2 1 299.415 -0.378 20 0 CBADMP COCC[NH+]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900374127 584801330 /nfs/dbraw/zinc/80/13/30/584801330.db2.gz MNMYIEAKTPCJDA-DZGCQCFKSA-N 2 1 299.415 -0.378 20 0 CBADMP COCC[NH+]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900374127 584801331 /nfs/dbraw/zinc/80/13/31/584801331.db2.gz MNMYIEAKTPCJDA-DZGCQCFKSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900526062 584810303 /nfs/dbraw/zinc/81/03/03/584810303.db2.gz SFVCVUOFDKPKHD-DYEKYZERSA-N 2 1 269.389 -0.006 20 0 CBADMP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000900590108 584814180 /nfs/dbraw/zinc/81/41/80/584814180.db2.gz NHYBTEJLSNPHOW-GMXVVIOVSA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000900590108 584814181 /nfs/dbraw/zinc/81/41/81/584814181.db2.gz NHYBTEJLSNPHOW-GMXVVIOVSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000900590108 584814182 /nfs/dbraw/zinc/81/41/82/584814182.db2.gz NHYBTEJLSNPHOW-GMXVVIOVSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000900590108 584814183 /nfs/dbraw/zinc/81/41/83/584814183.db2.gz NHYBTEJLSNPHOW-GMXVVIOVSA-N 2 1 255.362 -0.348 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900622900 584816945 /nfs/dbraw/zinc/81/69/45/584816945.db2.gz HGMRWECDEKEZEB-OUCADQQQSA-N 2 1 285.388 -0.722 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900622900 584816947 /nfs/dbraw/zinc/81/69/47/584816947.db2.gz HGMRWECDEKEZEB-OUCADQQQSA-N 2 1 285.388 -0.722 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900622900 584816948 /nfs/dbraw/zinc/81/69/48/584816948.db2.gz HGMRWECDEKEZEB-OUCADQQQSA-N 2 1 285.388 -0.722 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900622900 584816950 /nfs/dbraw/zinc/81/69/50/584816950.db2.gz HGMRWECDEKEZEB-OUCADQQQSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900734946 584825007 /nfs/dbraw/zinc/82/50/07/584825007.db2.gz IZAWPSUDHJOEHN-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP CC[N@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900734946 584825009 /nfs/dbraw/zinc/82/50/09/584825009.db2.gz IZAWPSUDHJOEHN-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@@H+](C)CCN1C ZINC000900802286 584827598 /nfs/dbraw/zinc/82/75/98/584827598.db2.gz DOAILMUNZBDGRF-CHWSQXEVSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[C@H]1C[NH+](C)CCN1C ZINC000900807995 584828011 /nfs/dbraw/zinc/82/80/11/584828011.db2.gz XVOPBKVBJMQNPA-JLNYLFASSA-N 2 1 298.431 -0.808 20 0 CBADMP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[C@H]1C[N@H+](C)CCN1C ZINC000900807995 584828012 /nfs/dbraw/zinc/82/80/12/584828012.db2.gz XVOPBKVBJMQNPA-JLNYLFASSA-N 2 1 298.431 -0.808 20 0 CBADMP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[C@H]1C[N@@H+](C)CCN1C ZINC000900807995 584828014 /nfs/dbraw/zinc/82/80/14/584828014.db2.gz XVOPBKVBJMQNPA-JLNYLFASSA-N 2 1 298.431 -0.808 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000901134240 584850950 /nfs/dbraw/zinc/85/09/50/584850950.db2.gz JYODDGWPFAQSSV-UMVBOHGHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000901184257 584853959 /nfs/dbraw/zinc/85/39/59/584853959.db2.gz CLRRFUCZIOVZPC-UONOGXRCSA-N 2 1 287.404 -0.738 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000901327015 584860998 /nfs/dbraw/zinc/86/09/98/584860998.db2.gz JWIRVCTXMUTWKW-WCQYABFASA-N 2 1 257.378 -0.148 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC1=CC[NH+](C)CC1 ZINC000901329285 584861125 /nfs/dbraw/zinc/86/11/25/584861125.db2.gz FUZKSHPLWADTLQ-JSGCOSHPSA-N 2 1 267.373 -0.180 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000901329285 584861126 /nfs/dbraw/zinc/86/11/26/584861126.db2.gz FUZKSHPLWADTLQ-JSGCOSHPSA-N 2 1 267.373 -0.180 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000901329285 584861127 /nfs/dbraw/zinc/86/11/27/584861127.db2.gz FUZKSHPLWADTLQ-JSGCOSHPSA-N 2 1 267.373 -0.180 20 0 CBADMP C[NH+](C)CCOCCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000901342093 584861994 /nfs/dbraw/zinc/86/19/94/584861994.db2.gz YURVPNLAIZTDFI-WCQYABFASA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000902520950 584877823 /nfs/dbraw/zinc/87/78/23/584877823.db2.gz QARRUBZWRJRRBX-MNOVXSKESA-N 2 1 266.345 -0.073 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCO[C@]23CCOC3)CC1 ZINC000903091164 584889100 /nfs/dbraw/zinc/88/91/00/584889100.db2.gz OKSWAGUCASSKQW-HIFRSBDPSA-N 2 1 297.399 -0.312 20 0 CBADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCO[C@@]23CCOC3)C1 ZINC000903150710 584889341 /nfs/dbraw/zinc/88/93/41/584889341.db2.gz BAJOEIUDQYJAIZ-FRRDWIJNSA-N 2 1 256.346 -0.409 20 0 CBADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCO[C@@]23CCOC3)C1 ZINC000903150710 584889343 /nfs/dbraw/zinc/88/93/43/584889343.db2.gz BAJOEIUDQYJAIZ-FRRDWIJNSA-N 2 1 256.346 -0.409 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492934 584891701 /nfs/dbraw/zinc/89/17/01/584891701.db2.gz LYVCAQSMRSWYMA-CWSCBRNRSA-N 2 1 269.345 -0.665 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H]1CCOC1=O)C2 ZINC000903492311 584891712 /nfs/dbraw/zinc/89/17/12/584891712.db2.gz AQGNJJDIJYHZKO-WTBMIXGQSA-N 2 1 268.313 -0.486 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903495288 584891799 /nfs/dbraw/zinc/89/17/99/584891799.db2.gz YXARYJLPRDAUTA-UNJBNNCHSA-N 3 1 285.388 -0.831 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496816 584892037 /nfs/dbraw/zinc/89/20/37/584892037.db2.gz FUAUURCPBYJSTD-GHMZBOCLSA-N 2 1 263.407 -0.158 20 0 CBADMP CC1(C)CC[N@@H+](CCNS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000903559401 584893247 /nfs/dbraw/zinc/89/32/47/584893247.db2.gz OBAMDTRFSXEWHM-UHFFFAOYSA-N 2 1 290.433 -0.542 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000903559351 584893256 /nfs/dbraw/zinc/89/32/56/584893256.db2.gz LEAYQCUVAIUWKS-HBNTYKKESA-N 2 1 273.402 -0.107 20 0 CBADMP CC(=O)N1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903716668 584895612 /nfs/dbraw/zinc/89/56/12/584895612.db2.gz BNJSFUAOQDFMOP-KBPBESRZSA-N 2 1 267.373 -0.081 20 0 CBADMP C[N@@H+](CC(=O)NC1CC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717956 584895614 /nfs/dbraw/zinc/89/56/14/584895614.db2.gz GMJGAOXQZJYIEF-OCCSQVGLSA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@H+](CC(=O)NC1CC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717956 584895615 /nfs/dbraw/zinc/89/56/15/584895615.db2.gz GMJGAOXQZJYIEF-OCCSQVGLSA-N 2 1 267.373 -0.035 20 0 CBADMP CN(C)C(=O)C[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718343 584895635 /nfs/dbraw/zinc/89/56/35/584895635.db2.gz KYRBWVUVKFEAAP-WCQYABFASA-N 2 1 255.362 -0.225 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718343 584895637 /nfs/dbraw/zinc/89/56/37/584895637.db2.gz KYRBWVUVKFEAAP-WCQYABFASA-N 2 1 255.362 -0.225 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903716601 584895663 /nfs/dbraw/zinc/89/56/63/584895663.db2.gz QAVDNCIBROUWMT-GJZGRUSLSA-N 3 1 282.432 -0.408 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722320 584895783 /nfs/dbraw/zinc/89/57/83/584895783.db2.gz KOZOOFVPZUHTKV-MBNYWOFBSA-N 2 1 267.373 -0.035 20 0 CBADMP COCC[N@@H+](CC(=O)N(C)C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723117 584895821 /nfs/dbraw/zinc/89/58/21/584895821.db2.gz UDSLCIJSRPTJHB-HIFRSBDPSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+](CC(=O)N(C)C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723117 584895822 /nfs/dbraw/zinc/89/58/22/584895822.db2.gz UDSLCIJSRPTJHB-HIFRSBDPSA-N 2 1 299.415 -0.208 20 0 CBADMP NC(=O)[C@@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903726033 584895954 /nfs/dbraw/zinc/89/59/54/584895954.db2.gz JFHYEXGBOWPBDO-NEPJUHHUSA-N 2 1 283.372 -0.669 20 0 CBADMP NC(=O)[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903726033 584895955 /nfs/dbraw/zinc/89/59/55/584895955.db2.gz JFHYEXGBOWPBDO-NEPJUHHUSA-N 2 1 283.372 -0.669 20 0 CBADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746828 584896974 /nfs/dbraw/zinc/89/69/74/584896974.db2.gz LSDCGDZWRUUICB-RQJABVFESA-N 3 1 251.374 -0.094 20 0 CBADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746828 584896975 /nfs/dbraw/zinc/89/69/75/584896975.db2.gz LSDCGDZWRUUICB-RQJABVFESA-N 2 1 251.374 -0.094 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903746310 584896999 /nfs/dbraw/zinc/89/69/99/584896999.db2.gz CCYPVESSBODTDG-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP CNC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903756181 584897653 /nfs/dbraw/zinc/89/76/53/584897653.db2.gz PLBGIZHKVMZGCO-DYEKYZERSA-N 2 1 283.372 -0.798 20 0 CBADMP CNC(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903756181 584897654 /nfs/dbraw/zinc/89/76/54/584897654.db2.gz PLBGIZHKVMZGCO-DYEKYZERSA-N 2 1 283.372 -0.798 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCCO1 ZINC000903760032 584897787 /nfs/dbraw/zinc/89/77/87/584897787.db2.gz FGCDHMMMKQDGSY-MCIONIFRSA-N 3 1 269.389 -0.195 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCCO1 ZINC000903760032 584897789 /nfs/dbraw/zinc/89/77/89/584897789.db2.gz FGCDHMMMKQDGSY-MCIONIFRSA-N 3 1 269.389 -0.195 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903770832 584898381 /nfs/dbraw/zinc/89/83/81/584898381.db2.gz ZDFLBTPQJDSCNK-UONOGXRCSA-N 3 1 271.405 -0.077 20 0 CBADMP C[N@@H+](CCOCC[NH3+])C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903769920 584898393 /nfs/dbraw/zinc/89/83/93/584898393.db2.gz RLPIBRBRIZVEDV-OLZOCXBDSA-N 3 1 257.378 -0.338 20 0 CBADMP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000903770044 584898417 /nfs/dbraw/zinc/89/84/17/584898417.db2.gz BNEGRQIUZZEHMC-OPDFLTKYSA-N 2 1 267.373 -0.049 20 0 CBADMP O=C1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCCN1 ZINC000903783365 584899425 /nfs/dbraw/zinc/89/94/25/584899425.db2.gz XGSSWLZAXDHUKX-DGCLKSJQSA-N 2 1 253.346 -0.423 20 0 CBADMP O=C1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCCN1 ZINC000903783365 584899426 /nfs/dbraw/zinc/89/94/26/584899426.db2.gz XGSSWLZAXDHUKX-DGCLKSJQSA-N 2 1 253.346 -0.423 20 0 CBADMP O=C1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCCN1 ZINC000903783364 584899542 /nfs/dbraw/zinc/89/95/42/584899542.db2.gz XGSSWLZAXDHUKX-AAEUAGOBSA-N 2 1 253.346 -0.423 20 0 CBADMP O=C1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCCN1 ZINC000903783364 584899544 /nfs/dbraw/zinc/89/95/44/584899544.db2.gz XGSSWLZAXDHUKX-AAEUAGOBSA-N 2 1 253.346 -0.423 20 0 CBADMP NS(=O)(=O)C[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903788181 584899761 /nfs/dbraw/zinc/89/97/61/584899761.db2.gz DSRZAIKSGUIJPZ-NEPJUHHUSA-N 2 1 275.418 -0.014 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903791947 584899891 /nfs/dbraw/zinc/89/98/91/584899891.db2.gz DNYGPMVOEWKWIH-LBPRGKRZSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1CS(N)(=O)=O ZINC000903826910 584900920 /nfs/dbraw/zinc/90/09/20/584900920.db2.gz NPNIJNOXVHYKLA-UTUOFQBUSA-N 2 1 275.418 -0.158 20 0 CBADMP COCCOC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903864183 584902510 /nfs/dbraw/zinc/90/25/10/584902510.db2.gz SVWNGCCOGYMJNM-UPJWGTAASA-N 2 1 258.362 -0.177 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903864183 584902511 /nfs/dbraw/zinc/90/25/11/584902511.db2.gz SVWNGCCOGYMJNM-UPJWGTAASA-N 2 1 258.362 -0.177 20 0 CBADMP COC[C@@H]1C[NH2+]CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000903880633 584903679 /nfs/dbraw/zinc/90/36/79/584903679.db2.gz KKGLXCYTUCJMRO-MELADBBJSA-N 2 1 269.389 -0.230 20 0 CBADMP COC[C@@H]1C[NH2+]CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000903880633 584903680 /nfs/dbraw/zinc/90/36/80/584903680.db2.gz KKGLXCYTUCJMRO-MELADBBJSA-N 2 1 269.389 -0.230 20 0 CBADMP COC[C@H]1C[NH2+]CCN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000903880990 584903693 /nfs/dbraw/zinc/90/36/93/584903693.db2.gz OIJQYTXXSZTQGZ-QWHCGFSZSA-N 2 1 257.378 -0.373 20 0 CBADMP COC[C@H]1C[NH2+]CCN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000903880990 584903694 /nfs/dbraw/zinc/90/36/94/584903694.db2.gz OIJQYTXXSZTQGZ-QWHCGFSZSA-N 2 1 257.378 -0.373 20 0 CBADMP CC[C@H]1C(=O)NCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000903881791 584903704 /nfs/dbraw/zinc/90/37/04/584903704.db2.gz ISFZSHSBYSBMMK-LBPRGKRZSA-N 2 1 254.378 -0.508 20 0 CBADMP CC[C@@H]1C(=O)NCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000903883412 584903826 /nfs/dbraw/zinc/90/38/26/584903826.db2.gz VPTYAKFYGJUMCF-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP CC[N@H+](CCC(N)=O)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903987824 584905505 /nfs/dbraw/zinc/90/55/05/584905505.db2.gz KPSRSTPYKDNQCF-LLVKDONJSA-N 2 1 280.376 -0.100 20 0 CBADMP CC[N@@H+](CCC(N)=O)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903987824 584905507 /nfs/dbraw/zinc/90/55/07/584905507.db2.gz KPSRSTPYKDNQCF-LLVKDONJSA-N 2 1 280.376 -0.100 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000959849796 614345977 /nfs/dbraw/zinc/34/59/77/614345977.db2.gz MDVZWHCPDPOGPX-CZXHOFHRSA-N 2 1 294.399 -0.609 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000959849796 614345978 /nfs/dbraw/zinc/34/59/78/614345978.db2.gz MDVZWHCPDPOGPX-CZXHOFHRSA-N 2 1 294.399 -0.609 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000959849796 614345980 /nfs/dbraw/zinc/34/59/80/614345980.db2.gz MDVZWHCPDPOGPX-CZXHOFHRSA-N 2 1 294.399 -0.609 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000959849796 614345982 /nfs/dbraw/zinc/34/59/82/614345982.db2.gz MDVZWHCPDPOGPX-CZXHOFHRSA-N 2 1 294.399 -0.609 20 0 CBADMP CC(C)N1CCO[C@@H](C(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC000981820662 614363602 /nfs/dbraw/zinc/36/36/02/614363602.db2.gz XPZGVUKPVFSEGA-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000981820662 614363604 /nfs/dbraw/zinc/36/36/04/614363604.db2.gz XPZGVUKPVFSEGA-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000981820662 614363609 /nfs/dbraw/zinc/36/36/09/614363609.db2.gz XPZGVUKPVFSEGA-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC000981820662 614363612 /nfs/dbraw/zinc/36/36/12/614363612.db2.gz XPZGVUKPVFSEGA-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C2C[NH+](CCO)C2)C1 ZINC000970325579 614363846 /nfs/dbraw/zinc/36/38/46/614363846.db2.gz HRMMLXDZLXBIEV-TZMCWYRMSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C2C[NH+](CCO)C2)C1 ZINC000970325579 614363847 /nfs/dbraw/zinc/36/38/47/614363847.db2.gz HRMMLXDZLXBIEV-TZMCWYRMSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958593563 614396568 /nfs/dbraw/zinc/39/65/68/614396568.db2.gz AIDWFHDRESFDPV-QWHCGFSZSA-N 2 1 281.400 -0.101 20 0 CBADMP CC1(C)CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000961777608 614541504 /nfs/dbraw/zinc/54/15/04/614541504.db2.gz IBLBIFHEUFXMOF-YABSGUDNSA-N 2 1 294.399 -0.750 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000961777608 614541505 /nfs/dbraw/zinc/54/15/05/614541505.db2.gz IBLBIFHEUFXMOF-YABSGUDNSA-N 2 1 294.399 -0.750 20 0 CBADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000961777608 614541509 /nfs/dbraw/zinc/54/15/09/614541509.db2.gz IBLBIFHEUFXMOF-YABSGUDNSA-N 2 1 294.399 -0.750 20 0 CBADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000961777608 614541514 /nfs/dbraw/zinc/54/15/14/614541514.db2.gz IBLBIFHEUFXMOF-YABSGUDNSA-N 2 1 294.399 -0.750 20 0 CBADMP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958473448 614832367 /nfs/dbraw/zinc/83/23/67/614832367.db2.gz AFWUGONMYYOWIZ-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958473448 614832369 /nfs/dbraw/zinc/83/23/69/614832369.db2.gz AFWUGONMYYOWIZ-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000958473448 614832372 /nfs/dbraw/zinc/83/23/72/614832372.db2.gz AFWUGONMYYOWIZ-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000958473448 614832373 /nfs/dbraw/zinc/83/23/73/614832373.db2.gz AFWUGONMYYOWIZ-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000962756973 615112425 /nfs/dbraw/zinc/11/24/25/615112425.db2.gz AAQOCWNJAQQBLI-CZXHOFHRSA-N 2 1 294.399 -0.608 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000962756973 615112426 /nfs/dbraw/zinc/11/24/26/615112426.db2.gz AAQOCWNJAQQBLI-CZXHOFHRSA-N 2 1 294.399 -0.608 20 0 CBADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000962756973 615112427 /nfs/dbraw/zinc/11/24/27/615112427.db2.gz AAQOCWNJAQQBLI-CZXHOFHRSA-N 2 1 294.399 -0.608 20 0 CBADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000962756973 615112428 /nfs/dbraw/zinc/11/24/28/615112428.db2.gz AAQOCWNJAQQBLI-CZXHOFHRSA-N 2 1 294.399 -0.608 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000962660024 615171916 /nfs/dbraw/zinc/17/19/16/615171916.db2.gz BQSFXXFBPPRRQY-RQJABVFESA-N 2 1 297.399 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000962660024 615171917 /nfs/dbraw/zinc/17/19/17/615171917.db2.gz BQSFXXFBPPRRQY-RQJABVFESA-N 2 1 297.399 -0.864 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC000962660024 615171918 /nfs/dbraw/zinc/17/19/18/615171918.db2.gz BQSFXXFBPPRRQY-RQJABVFESA-N 2 1 297.399 -0.864 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC000962660024 615171919 /nfs/dbraw/zinc/17/19/19/615171919.db2.gz BQSFXXFBPPRRQY-RQJABVFESA-N 2 1 297.399 -0.864 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C2C[NH+](CCOC)C2)C1 ZINC000970905889 615172109 /nfs/dbraw/zinc/17/21/09/615172109.db2.gz XKKXVPMQHLWJFG-TZMCWYRMSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C2C[NH+](CCOC)C2)C1 ZINC000970905889 615172111 /nfs/dbraw/zinc/17/21/11/615172111.db2.gz XKKXVPMQHLWJFG-TZMCWYRMSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000972315819 615191772 /nfs/dbraw/zinc/19/17/72/615191772.db2.gz KBNQZZOHERQTKX-UKRRQHHQSA-N 2 1 297.399 -0.360 20 0 CBADMP CCN1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000972315819 615191774 /nfs/dbraw/zinc/19/17/74/615191774.db2.gz KBNQZZOHERQTKX-UKRRQHHQSA-N 2 1 297.399 -0.360 20 0 CBADMP CC[C@@H](C(=O)N1CCC[N@@H+](CCO)CC1)[NH+](C)C ZINC000981973475 615369880 /nfs/dbraw/zinc/36/98/80/615369880.db2.gz KDJKVLPEOOYAFC-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961284359 615440385 /nfs/dbraw/zinc/44/03/85/615440385.db2.gz TTYAAEUDFPKJBY-CCTQGRIMSA-N 2 1 291.395 -0.084 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961284359 615440387 /nfs/dbraw/zinc/44/03/87/615440387.db2.gz TTYAAEUDFPKJBY-CCTQGRIMSA-N 2 1 291.395 -0.084 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961284359 615440388 /nfs/dbraw/zinc/44/03/88/615440388.db2.gz TTYAAEUDFPKJBY-CCTQGRIMSA-N 2 1 291.395 -0.084 20 0 CBADMP CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2)[NH+](C)C ZINC000981842027 615600404 /nfs/dbraw/zinc/60/04/04/615600404.db2.gz SAAVNHXUVVTJLK-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2)[NH+](C)C ZINC000981842027 615600405 /nfs/dbraw/zinc/60/04/05/615600405.db2.gz SAAVNHXUVVTJLK-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1)C(N)=O ZINC000970724892 615822451 /nfs/dbraw/zinc/82/24/51/615822451.db2.gz YJFGEBZJNQSOCL-NEPJUHHUSA-N 2 1 293.371 -0.354 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1)C1CC1 ZINC000971687297 615972273 /nfs/dbraw/zinc/97/22/73/615972273.db2.gz XJXJCMWABDCCNN-DGCLKSJQSA-N 2 1 282.388 -0.655 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1)C1CC1 ZINC000971687297 615972275 /nfs/dbraw/zinc/97/22/75/615972275.db2.gz XJXJCMWABDCCNN-DGCLKSJQSA-N 2 1 282.388 -0.655 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000969626249 616183325 /nfs/dbraw/zinc/18/33/25/616183325.db2.gz GRWWAVIIZKDJGD-UPJWGTAASA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](CCO)CC1 ZINC000980839316 616191543 /nfs/dbraw/zinc/19/15/43/616191543.db2.gz DLKQVGRHKKNVFC-GFCCVEGCSA-N 2 1 255.362 -0.393 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](CCO)CC1 ZINC000980839316 616191544 /nfs/dbraw/zinc/19/15/44/616191544.db2.gz DLKQVGRHKKNVFC-GFCCVEGCSA-N 2 1 255.362 -0.393 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](CCO)CC1 ZINC000980839316 616191545 /nfs/dbraw/zinc/19/15/45/616191545.db2.gz DLKQVGRHKKNVFC-GFCCVEGCSA-N 2 1 255.362 -0.393 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000969595030 616192302 /nfs/dbraw/zinc/19/23/02/616192302.db2.gz KVAPRZWVTHZNEK-IJLUTSLNSA-N 2 1 280.372 -0.840 20 0 CBADMP Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000967925027 616209889 /nfs/dbraw/zinc/20/98/89/616209889.db2.gz LXGMVNKYUDGUBB-NEPJUHHUSA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000967925027 616209890 /nfs/dbraw/zinc/20/98/90/616209890.db2.gz LXGMVNKYUDGUBB-NEPJUHHUSA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000967924382 616209945 /nfs/dbraw/zinc/20/99/45/616209945.db2.gz GYHYYLRLOSUQHL-YPMHNXCESA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000967924382 616209946 /nfs/dbraw/zinc/20/99/46/616209946.db2.gz GYHYYLRLOSUQHL-YPMHNXCESA-N 2 1 292.387 -0.400 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000977926428 616211611 /nfs/dbraw/zinc/21/16/11/616211611.db2.gz AMWGNDAWAVDROR-RVMXOQNASA-N 2 1 267.373 -0.633 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000977926428 616211612 /nfs/dbraw/zinc/21/16/12/616211612.db2.gz AMWGNDAWAVDROR-RVMXOQNASA-N 2 1 267.373 -0.633 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000977926428 616211613 /nfs/dbraw/zinc/21/16/13/616211613.db2.gz AMWGNDAWAVDROR-RVMXOQNASA-N 2 1 267.373 -0.633 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCO)C3)C1 ZINC000963652813 616251995 /nfs/dbraw/zinc/25/19/95/616251995.db2.gz IDKCNAPQINCRHA-PYYBWGNESA-N 2 1 297.399 -0.674 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCO)C3)C1 ZINC000963652813 616251996 /nfs/dbraw/zinc/25/19/96/616251996.db2.gz IDKCNAPQINCRHA-PYYBWGNESA-N 2 1 297.399 -0.674 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000962308195 616269602 /nfs/dbraw/zinc/26/96/02/616269602.db2.gz OIEPYUSAFOSQLU-CIQGVGRVSA-N 2 1 267.373 -0.633 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000962308195 616269603 /nfs/dbraw/zinc/26/96/03/616269603.db2.gz OIEPYUSAFOSQLU-CIQGVGRVSA-N 2 1 267.373 -0.633 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000962308195 616269604 /nfs/dbraw/zinc/26/96/04/616269604.db2.gz OIEPYUSAFOSQLU-CIQGVGRVSA-N 2 1 267.373 -0.633 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(N)=O)C3)C1 ZINC000965912694 616367851 /nfs/dbraw/zinc/36/78/51/616367851.db2.gz QOMDWIFGLXPQQW-ZWESNROVSA-N 2 1 294.399 -0.560 20 0 CBADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000962558169 616380532 /nfs/dbraw/zinc/38/05/32/616380532.db2.gz UJKYHWMDVCIDDM-CIQGVGRVSA-N 2 1 294.399 -0.927 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000972733790 616388873 /nfs/dbraw/zinc/38/88/73/616388873.db2.gz RZIBBHDTALQNHU-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972733790 616388878 /nfs/dbraw/zinc/38/88/78/616388878.db2.gz RZIBBHDTALQNHU-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972733790 616388884 /nfs/dbraw/zinc/38/88/84/616388884.db2.gz RZIBBHDTALQNHU-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374808 616442593 /nfs/dbraw/zinc/44/25/93/616442593.db2.gz OOZNJJCYWFFXOP-UONOGXRCSA-N 2 1 299.415 -0.617 20 0 CBADMP COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374806 616450563 /nfs/dbraw/zinc/45/05/63/616450563.db2.gz OOZNJJCYWFFXOP-KBPBESRZSA-N 2 1 299.415 -0.617 20 0 CBADMP COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590955 616457983 /nfs/dbraw/zinc/45/79/83/616457983.db2.gz DCXVTVAKLHQFGL-OLZOCXBDSA-N 2 1 297.399 -0.863 20 0 CBADMP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958474395 616467227 /nfs/dbraw/zinc/46/72/27/616467227.db2.gz KXQRDXQTTCXLIV-QNWHQSFQSA-N 2 1 283.372 -0.990 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958474395 616467230 /nfs/dbraw/zinc/46/72/30/616467230.db2.gz KXQRDXQTTCXLIV-QNWHQSFQSA-N 2 1 283.372 -0.990 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000958474395 616467235 /nfs/dbraw/zinc/46/72/35/616467235.db2.gz KXQRDXQTTCXLIV-QNWHQSFQSA-N 2 1 283.372 -0.990 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000958474395 616467236 /nfs/dbraw/zinc/46/72/36/616467236.db2.gz KXQRDXQTTCXLIV-QNWHQSFQSA-N 2 1 283.372 -0.990 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948039943 616622999 /nfs/dbraw/zinc/62/29/99/616622999.db2.gz LQVAJVGXWXROQT-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000962275229 616643236 /nfs/dbraw/zinc/64/32/36/616643236.db2.gz ADDFDTXISKCHOQ-FJJYHAOUSA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000962275229 616643240 /nfs/dbraw/zinc/64/32/40/616643240.db2.gz ADDFDTXISKCHOQ-FJJYHAOUSA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000962275229 616643245 /nfs/dbraw/zinc/64/32/45/616643245.db2.gz ADDFDTXISKCHOQ-FJJYHAOUSA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000962275229 616643252 /nfs/dbraw/zinc/64/32/52/616643252.db2.gz ADDFDTXISKCHOQ-FJJYHAOUSA-N 2 1 294.399 -0.879 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH2+]CC1(C)C ZINC000311035520 656144650 /nfs/dbraw/zinc/14/46/50/656144650.db2.gz OBHSYTNBGXABKU-LBPRGKRZSA-N 2 1 259.394 -0.391 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C ZINC000916331519 657772413 /nfs/dbraw/zinc/77/24/13/657772413.db2.gz OTBOKSCJUFDOAK-NSHDSACASA-N 2 1 258.366 -0.432 20 0 CBADMP COCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000916331519 657772420 /nfs/dbraw/zinc/77/24/20/657772420.db2.gz OTBOKSCJUFDOAK-NSHDSACASA-N 2 1 258.366 -0.432 20 0 CBADMP COCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000916331519 657772427 /nfs/dbraw/zinc/77/24/27/657772427.db2.gz OTBOKSCJUFDOAK-NSHDSACASA-N 2 1 258.366 -0.432 20 0 CBADMP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCOCCO ZINC000922108518 657996427 /nfs/dbraw/zinc/99/64/27/657996427.db2.gz JTNIMDAZNAMRKG-UHFFFAOYSA-N 2 1 285.388 -0.861 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CCOCCO ZINC000922119618 658001796 /nfs/dbraw/zinc/00/17/96/658001796.db2.gz VBICERPEJGQCNB-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CCOCCO ZINC000922119618 658001798 /nfs/dbraw/zinc/00/17/98/658001798.db2.gz VBICERPEJGQCNB-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)CCOCCO ZINC000922119618 658001800 /nfs/dbraw/zinc/00/18/00/658001800.db2.gz VBICERPEJGQCNB-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+](C)CCOCCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000922145232 658008423 /nfs/dbraw/zinc/00/84/23/658008423.db2.gz RCLPXAQUCOCZJT-LLVKDONJSA-N 2 1 258.366 -0.432 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH2+]C[C@H]1C(F)F ZINC000923352614 658225935 /nfs/dbraw/zinc/22/59/35/658225935.db2.gz PFNJTEANGKFHQI-MNOVXSKESA-N 2 1 281.347 -0.536 20 0 CBADMP CC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378256 658245304 /nfs/dbraw/zinc/24/53/04/658245304.db2.gz TVHSRMOIEJOWSL-MJBXVCDLSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@@H](C(=O)NCC(F)(F)F)N1CC[NH2+]CC[NH2+]CC1 ZINC000923459392 658288034 /nfs/dbraw/zinc/28/80/34/658288034.db2.gz HTSPRQWVXIUAJW-VIFPVBQESA-N 2 1 282.310 -0.452 20 0 CBADMP C[C@H]1C[N@@H+](CCS(=O)(=O)N(C)C)CC[C@H]1C[NH3+] ZINC000923488405 658304338 /nfs/dbraw/zinc/30/43/38/658304338.db2.gz FLMRTBXMZROAJU-QWRGUYRKSA-N 2 1 263.407 -0.206 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923486321 658305973 /nfs/dbraw/zinc/30/59/73/658305973.db2.gz PJIGHCYWJGTTOV-UPJWGTAASA-N 2 1 296.415 -0.231 20 0 CBADMP NS(=O)(=O)C[C@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923531023 658314238 /nfs/dbraw/zinc/31/42/38/658314238.db2.gz LUSJEZJRFFABEC-JTQLQIEISA-N 2 1 261.391 -0.261 20 0 CBADMP NS(=O)(=O)C[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923531023 658314252 /nfs/dbraw/zinc/31/42/52/658314252.db2.gz LUSJEZJRFFABEC-JTQLQIEISA-N 2 1 261.391 -0.261 20 0 CBADMP NS(=O)(=O)C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000923531086 658315089 /nfs/dbraw/zinc/31/50/89/658315089.db2.gz NTHFJFJRWKSOKQ-NEPJUHHUSA-N 2 1 275.418 -0.014 20 0 CBADMP NC(=O)C12CCC(CC1)[N@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000923531715 658315846 /nfs/dbraw/zinc/31/58/46/658315846.db2.gz SRHSOZWSASUQKU-IQLKVPPVSA-N 2 1 265.357 -0.010 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)C1C[NH2+]C1 ZINC000923619596 658354112 /nfs/dbraw/zinc/35/41/12/658354112.db2.gz XTXLNIPBKNBRDX-ONGXEEELSA-N 2 1 261.391 -0.440 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923623204 658359284 /nfs/dbraw/zinc/35/92/84/658359284.db2.gz YCFUWRCREGPNRV-SNVBAGLBSA-N 2 1 261.391 -0.438 20 0 CBADMP O=S(=O)(N1CC[C@@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000923639555 658368810 /nfs/dbraw/zinc/36/88/10/658368810.db2.gz QAVCKEGWJYBHHG-LBPRGKRZSA-N 2 1 288.417 -0.788 20 0 CBADMP C[N@H+]1CC[C@H]2CN(S(=O)(=O)C3C[NH2+]C3)CC[C@@H]21 ZINC000923665645 658387087 /nfs/dbraw/zinc/38/70/87/658387087.db2.gz GABJLEDRGDTIFJ-ONGXEEELSA-N 2 1 259.375 -0.686 20 0 CBADMP C[NH+](C)C[C@@H]1NC(=O)N(CC[N@@H+](C)C2CC2)C1=O ZINC000924523649 658610096 /nfs/dbraw/zinc/61/00/96/658610096.db2.gz DYHRXUZBXCHUQM-JTQLQIEISA-N 2 1 254.334 -0.437 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000925002485 658743471 /nfs/dbraw/zinc/74/34/71/658743471.db2.gz KVOZVMNWTIGZBE-UHFFFAOYSA-N 2 1 269.389 -0.097 20 0 CBADMP CC[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000925788881 658871745 /nfs/dbraw/zinc/87/17/45/658871745.db2.gz CWBYLKXCRKXYDB-UPJWGTAASA-N 2 1 289.445 -0.117 20 0 CBADMP [NH3+]C1CCN(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925817734 658873832 /nfs/dbraw/zinc/87/38/32/658873832.db2.gz WFQOCFKBARWFOG-WPTOEGHWSA-N 3 1 264.417 -0.005 20 0 CBADMP [NH3+]C1CCN(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925817735 658874069 /nfs/dbraw/zinc/87/40/69/658874069.db2.gz WFQOCFKBARWFOG-XSXPHNMFSA-N 3 1 264.417 -0.005 20 0 CBADMP C[C@H](CC(N)=O)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925851342 658874482 /nfs/dbraw/zinc/87/44/82/658874482.db2.gz XRLLPKKCEQWJLD-GFCCVEGCSA-N 2 1 256.394 -0.085 20 0 CBADMP CN(C)S(=O)(=O)CC[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000926460612 658903489 /nfs/dbraw/zinc/90/34/89/658903489.db2.gz UYJGEDDOOJBPLF-FOSCPWQOSA-N 2 1 275.418 -0.192 20 0 CBADMP CC[NH+]1CCN(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000928448368 659024519 /nfs/dbraw/zinc/02/45/19/659024519.db2.gz NVUJOAMOXMJZQW-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000928454520 659026063 /nfs/dbraw/zinc/02/60/63/659026063.db2.gz ZRAOZDPCILRUTL-FRRDWIJNSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000928454520 659026066 /nfs/dbraw/zinc/02/60/66/659026066.db2.gz ZRAOZDPCILRUTL-FRRDWIJNSA-N 2 1 268.405 -0.169 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C)n1 ZINC000928551840 659034487 /nfs/dbraw/zinc/03/44/87/659034487.db2.gz FGDZMSJLXWRWRE-NSHDSACASA-N 2 1 265.361 -0.121 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CC[N@H+]2C)n1 ZINC000928551840 659034500 /nfs/dbraw/zinc/03/45/00/659034500.db2.gz FGDZMSJLXWRWRE-NSHDSACASA-N 2 1 265.361 -0.121 20 0 CBADMP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000929866894 659182965 /nfs/dbraw/zinc/18/29/65/659182965.db2.gz JDMXNYOZXWUQSE-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000929866894 659182971 /nfs/dbraw/zinc/18/29/71/659182971.db2.gz JDMXNYOZXWUQSE-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000929866894 659182974 /nfs/dbraw/zinc/18/29/74/659182974.db2.gz JDMXNYOZXWUQSE-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000929866894 659182977 /nfs/dbraw/zinc/18/29/77/659182977.db2.gz JDMXNYOZXWUQSE-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP COC[C@]1(CO)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000930656513 659317138 /nfs/dbraw/zinc/31/71/38/659317138.db2.gz BIGAMSIJZFCVCO-ZIAGYGMSSA-N 2 1 272.389 -0.226 20 0 CBADMP COC[C@]1(CO)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000930656513 659317146 /nfs/dbraw/zinc/31/71/46/659317146.db2.gz BIGAMSIJZFCVCO-ZIAGYGMSSA-N 2 1 272.389 -0.226 20 0 CBADMP CC1(C)CNC(=O)[C@H]1[NH2+]CCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931652739 659502317 /nfs/dbraw/zinc/50/23/17/659502317.db2.gz IZCVCPMMKYDUNK-GHMZBOCLSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@H]1NC(=O)N(CC[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1=O ZINC000931441243 659460770 /nfs/dbraw/zinc/46/07/70/659460770.db2.gz FMQNVVUENKPVKH-GRYCIOLGSA-N 2 1 280.372 -0.190 20 0 CBADMP C[C@H]1NC(=O)N(CC[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)C1=O ZINC000931441243 659460779 /nfs/dbraw/zinc/46/07/79/659460779.db2.gz FMQNVVUENKPVKH-GRYCIOLGSA-N 2 1 280.372 -0.190 20 0 CBADMP C[C@H]1NC(=O)N(CC[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)C1=O ZINC000931441243 659460796 /nfs/dbraw/zinc/46/07/96/659460796.db2.gz FMQNVVUENKPVKH-GRYCIOLGSA-N 2 1 280.372 -0.190 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2C1 ZINC000931435394 659465895 /nfs/dbraw/zinc/46/58/95/659465895.db2.gz AFZLUPGMAVJPMG-NEPJUHHUSA-N 2 1 252.362 -0.105 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC000931435394 659465931 /nfs/dbraw/zinc/46/59/31/659465931.db2.gz AFZLUPGMAVJPMG-NEPJUHHUSA-N 2 1 252.362 -0.105 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC000931435394 659465941 /nfs/dbraw/zinc/46/59/41/659465941.db2.gz AFZLUPGMAVJPMG-NEPJUHHUSA-N 2 1 252.362 -0.105 20 0 CBADMP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437938 659466397 /nfs/dbraw/zinc/46/63/97/659466397.db2.gz CUICIBQPKMTZGE-GRYCIOLGSA-N 2 1 283.372 -0.452 20 0 CBADMP COC(=O)CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437938 659466418 /nfs/dbraw/zinc/46/64/18/659466418.db2.gz CUICIBQPKMTZGE-GRYCIOLGSA-N 2 1 283.372 -0.452 20 0 CBADMP COC(=O)CNC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437938 659466427 /nfs/dbraw/zinc/46/64/27/659466427.db2.gz CUICIBQPKMTZGE-GRYCIOLGSA-N 2 1 283.372 -0.452 20 0 CBADMP COC(=O)CNC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437938 659466435 /nfs/dbraw/zinc/46/64/35/659466435.db2.gz CUICIBQPKMTZGE-GRYCIOLGSA-N 2 1 283.372 -0.452 20 0 CBADMP CC(C)(C)[NH2+]CCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000037634724 656002926 /nfs/dbraw/zinc/00/29/26/656002926.db2.gz DJNUFPMLRXCNGI-UHFFFAOYSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179645 656033909 /nfs/dbraw/zinc/03/39/09/656033909.db2.gz NEHCTNOJJOKYBD-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP CCS(=O)(=O)CC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180076 656034283 /nfs/dbraw/zinc/03/42/83/656034283.db2.gz GPQRVSKOCWVBIA-NSHDSACASA-N 2 1 291.417 -0.792 20 0 CBADMP CCS(=O)(=O)CC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180076 656034284 /nfs/dbraw/zinc/03/42/84/656034284.db2.gz GPQRVSKOCWVBIA-NSHDSACASA-N 2 1 291.417 -0.792 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=[NH2+])NC1CC1 ZINC000066246634 656036351 /nfs/dbraw/zinc/03/63/51/656036351.db2.gz XYOCRRJPRTZXQX-GFCCVEGCSA-N 2 1 281.404 -0.004 20 0 CBADMP O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000091668053 656058872 /nfs/dbraw/zinc/05/88/72/656058872.db2.gz YGXYLVYDNANMPE-RWMBFGLXSA-N 2 1 267.373 -0.035 20 0 CBADMP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Cn1cccn1 ZINC000091668281 656058879 /nfs/dbraw/zinc/05/88/79/656058879.db2.gz IWUFIERNMAUTEY-MGPQQGTHSA-N 2 1 280.372 -0.303 20 0 CBADMP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Cn1cccn1 ZINC000091668281 656058881 /nfs/dbraw/zinc/05/88/81/656058881.db2.gz IWUFIERNMAUTEY-MGPQQGTHSA-N 2 1 280.372 -0.303 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)CC[C@@H]1C[NH3+] ZINC000122305240 656066473 /nfs/dbraw/zinc/06/64/73/656066473.db2.gz MFZNCADMCQOQMV-VXGBXAGGSA-N 2 1 255.362 -0.238 20 0 CBADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000225319160 656106113 /nfs/dbraw/zinc/10/61/13/656106113.db2.gz PLFPGIHALZBVOQ-NWDGAFQWSA-N 2 1 275.418 -0.061 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225446238 656106660 /nfs/dbraw/zinc/10/66/60/656106660.db2.gz AIJARCWTQUZDEO-DTWKUNHWSA-N 2 1 283.294 -0.304 20 0 CBADMP Cn1cc(CC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000226419343 656107292 /nfs/dbraw/zinc/10/72/92/656107292.db2.gz SOTVKUXUFSLUDS-ZDUSSCGKSA-N 2 1 279.388 -0.251 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000228190619 656109782 /nfs/dbraw/zinc/10/97/82/656109782.db2.gz XIEOLCCIOBMCKA-IHRRRGAJSA-N 2 1 299.415 -0.426 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000230936966 656112357 /nfs/dbraw/zinc/11/23/57/656112357.db2.gz JLUVQBOMFKTPOM-SNVBAGLBSA-N 2 1 261.391 -0.485 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250483053 656122054 /nfs/dbraw/zinc/12/20/54/656122054.db2.gz XIEOLCCIOBMCKA-BFHYXJOUSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000251078965 656122667 /nfs/dbraw/zinc/12/26/67/656122667.db2.gz HDFLOFIZVCCJGR-RWMBFGLXSA-N 2 1 269.389 -0.053 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261602796 656125109 /nfs/dbraw/zinc/12/51/09/656125109.db2.gz QNUBYWUDULDECB-JTQLQIEISA-N 2 1 268.361 -0.094 20 0 CBADMP COCCOC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000306081372 656141857 /nfs/dbraw/zinc/14/18/57/656141857.db2.gz IIFONGNEVZBLHM-QWHCGFSZSA-N 2 1 258.362 -0.304 20 0 CBADMP O[C@H](C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)C(F)(F)F ZINC000310750218 656144335 /nfs/dbraw/zinc/14/43/35/656144335.db2.gz KSLVKRJXAXNPIT-VHSXEESVSA-N 2 1 267.295 -0.111 20 0 CBADMP CO[C@H]1COCC[C@@H]1[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000310863054 656144455 /nfs/dbraw/zinc/14/44/55/656144455.db2.gz OHVFWYFQPKRIFF-STQMWFEESA-N 2 1 257.378 -0.373 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000311156406 656145839 /nfs/dbraw/zinc/14/58/39/656145839.db2.gz OMAZSBGVGVMAAF-XQQFMLRXSA-N 2 1 259.394 -0.392 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000311972171 656146061 /nfs/dbraw/zinc/14/60/61/656146061.db2.gz BIXJAZQRVLOYMD-MELADBBJSA-N 2 1 271.405 -0.391 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000311855241 656146142 /nfs/dbraw/zinc/14/61/42/656146142.db2.gz POEYJYUIEUWMOQ-ZDUSSCGKSA-N 2 1 268.405 -0.133 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000702421351 656180482 /nfs/dbraw/zinc/18/04/82/656180482.db2.gz OGMMMIGQRIWVDT-PWSUYJOCSA-N 2 1 254.378 -0.524 20 0 CBADMP C[N@H+]1C[C@@H]2CN(S(=O)(=O)[C@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702469886 656181653 /nfs/dbraw/zinc/18/16/53/656181653.db2.gz IZWCSUPNEJNXDO-AGIUHOORSA-N 2 1 287.429 -0.048 20 0 CBADMP 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 656181956 /nfs/dbraw/zinc/18/19/56/656181956.db2.gz WGKRMTBKKVQMGE-QQKNPXLJSA-N 2 1 251.374 -0.361 20 0 CBADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702598818 656182023 /nfs/dbraw/zinc/18/20/23/656182023.db2.gz HSFHKTZEZFAFNK-WZRBSPASSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000702598818 656182026 /nfs/dbraw/zinc/18/20/26/656182026.db2.gz HSFHKTZEZFAFNK-WZRBSPASSA-N 2 1 255.362 -0.300 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH2+]C[C@@H]1C(C)C ZINC000704595816 656184828 /nfs/dbraw/zinc/18/48/28/656184828.db2.gz NKFKHOFVCWNYRW-ZIAGYGMSSA-N 2 1 273.421 -0.145 20 0 CBADMP OCC[NH2+][C@H]1CCCN(CCC[NH+]2CCOCC2)C1 ZINC000708580267 656194283 /nfs/dbraw/zinc/19/42/83/656194283.db2.gz ZRCZQZPGHMEWGV-AWEZNQCLSA-N 2 1 271.405 -0.245 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710571422 656198575 /nfs/dbraw/zinc/19/85/75/656198575.db2.gz VAJYZLKCTFXIBR-SNVBAGLBSA-N 2 1 286.376 -0.781 20 0 CBADMP COC[C@]1(C(=O)N2CCC[N@@H+](C)CC2)C[NH2+]CCO1 ZINC000710756613 656200841 /nfs/dbraw/zinc/20/08/41/656200841.db2.gz YVRBVXYODVHDNZ-ZDUSSCGKSA-N 2 1 271.361 -0.845 20 0 CBADMP C[C@]1(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C[NH2+]CCO1 ZINC000710784233 656201374 /nfs/dbraw/zinc/20/13/74/656201374.db2.gz QGEKEUBNVKGTBM-MBNYWOFBSA-N 2 1 283.372 -0.656 20 0 CBADMP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CC2(CO1)CCOCC2 ZINC000712698600 656211389 /nfs/dbraw/zinc/21/13/89/656211389.db2.gz RMLVZHFRXKCSIU-VXGBXAGGSA-N 2 1 258.362 -0.177 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CC2(CO1)CCOCC2 ZINC000712698600 656211390 /nfs/dbraw/zinc/21/13/90/656211390.db2.gz RMLVZHFRXKCSIU-VXGBXAGGSA-N 2 1 258.362 -0.177 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000713426156 656212705 /nfs/dbraw/zinc/21/27/05/656212705.db2.gz UIUTUTNEZSMBLY-KYEXWDHISA-N 2 1 278.400 -0.380 20 0 CBADMP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1(F)F ZINC000715094849 656218689 /nfs/dbraw/zinc/21/86/89/656218689.db2.gz PFLNIGNLIJXKGM-GWOFURMSSA-N 2 1 289.326 -0.194 20 0 CBADMP O=C(N[C@@H]1CCC[N@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC000715842058 656220954 /nfs/dbraw/zinc/22/09/54/656220954.db2.gz FCWFYNUZFQSHKW-GFCCVEGCSA-N 2 1 267.373 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC000763004086 656237771 /nfs/dbraw/zinc/23/77/71/656237771.db2.gz OZVWRHLNUXQPEL-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884797754 656255601 /nfs/dbraw/zinc/25/56/01/656255601.db2.gz XAEHUHAMVBTOOI-QJPTWQEYSA-N 2 1 282.388 -0.737 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC[C@H]21 ZINC000885192862 656260176 /nfs/dbraw/zinc/26/01/76/656260176.db2.gz KLJVVFVYTPKPMG-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP [NH3+]CC12CCC(CC1)N2C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000892453444 656271361 /nfs/dbraw/zinc/27/13/61/656271361.db2.gz JNJAHANBZXLOSE-MBHSVXNSSA-N 2 1 282.388 -0.282 20 0 CBADMP [NH3+]CC12CCC(CC1)N2C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000892453443 656271418 /nfs/dbraw/zinc/27/14/18/656271418.db2.gz JNJAHANBZXLOSE-LXVYMNJGSA-N 2 1 282.388 -0.282 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000892439267 656271570 /nfs/dbraw/zinc/27/15/70/656271570.db2.gz MHZXZICIAOUBJP-OBJOEFQTSA-N 2 1 284.404 -0.130 20 0 CBADMP Cn1cc(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c(=O)n(C)c1=O ZINC000897621517 656294421 /nfs/dbraw/zinc/29/44/21/656294421.db2.gz FXIVOKCOCPSANM-DOMZBBRYSA-N 2 1 292.383 -0.533 20 0 CBADMP Cn1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c(=O)n(C)c1=O ZINC000897621517 656294435 /nfs/dbraw/zinc/29/44/35/656294435.db2.gz FXIVOKCOCPSANM-DOMZBBRYSA-N 2 1 292.383 -0.533 20 0 CBADMP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c(=O)n(C)c1=O ZINC000897621517 656294440 /nfs/dbraw/zinc/29/44/40/656294440.db2.gz FXIVOKCOCPSANM-DOMZBBRYSA-N 2 1 292.383 -0.533 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(C(C)(C)CO)CC1 ZINC000901227938 656317503 /nfs/dbraw/zinc/31/75/03/656317503.db2.gz JRDGBDGDFUZJQL-IUODEOHRSA-N 2 1 299.415 -0.643 20 0 CBADMP CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904301466 656324158 /nfs/dbraw/zinc/32/41/58/656324158.db2.gz IRTRUGZEGFAKSH-UTUOFQBUSA-N 2 1 275.418 -0.015 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(N)nn1 ZINC000904299465 656324598 /nfs/dbraw/zinc/32/45/98/656324598.db2.gz FDOFJRUKKFCGOH-UHFFFAOYSA-N 2 1 250.350 -0.604 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(N)nn1 ZINC000904299465 656324601 /nfs/dbraw/zinc/32/46/01/656324601.db2.gz FDOFJRUKKFCGOH-UHFFFAOYSA-N 2 1 250.350 -0.604 20 0 CBADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCO)CCN2CCOCC2)C1 ZINC000904313719 656324654 /nfs/dbraw/zinc/32/46/54/656324654.db2.gz YNEAVFLQTCXPIM-BETUJISGSA-N 2 1 257.378 -0.650 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904326504 656325050 /nfs/dbraw/zinc/32/50/50/656325050.db2.gz LBDAMRJXGOHUAP-HZSPNIEDSA-N 3 1 280.416 -0.038 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904326504 656325055 /nfs/dbraw/zinc/32/50/55/656325055.db2.gz LBDAMRJXGOHUAP-HZSPNIEDSA-N 2 1 280.416 -0.038 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904326504 656325060 /nfs/dbraw/zinc/32/50/60/656325060.db2.gz LBDAMRJXGOHUAP-HZSPNIEDSA-N 2 1 280.416 -0.038 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343238 656325329 /nfs/dbraw/zinc/32/53/29/656325329.db2.gz RAHPURVZDNSUBA-AXFHLTTASA-N 2 1 261.391 -0.263 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904326505 656325449 /nfs/dbraw/zinc/32/54/49/656325449.db2.gz LBDAMRJXGOHUAP-MJBXVCDLSA-N 3 1 280.416 -0.038 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904326505 656325453 /nfs/dbraw/zinc/32/54/53/656325453.db2.gz LBDAMRJXGOHUAP-MJBXVCDLSA-N 2 1 280.416 -0.038 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904326505 656325456 /nfs/dbraw/zinc/32/54/56/656325456.db2.gz LBDAMRJXGOHUAP-MJBXVCDLSA-N 2 1 280.416 -0.038 20 0 CBADMP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2CNOC2)cnn1C ZINC000904423614 656326934 /nfs/dbraw/zinc/32/69/34/656326934.db2.gz DXJCARLMXXDXSO-ZYHUDNBSSA-N 2 1 253.350 -0.661 20 0 CBADMP c1cc(N2CC[NH2+]CC2)oc1C[NH2+][C@H]1CNOC1 ZINC000904423862 656327122 /nfs/dbraw/zinc/32/71/22/656327122.db2.gz JZHUHKREUVUJNU-JTQLQIEISA-N 2 1 252.318 -0.318 20 0 CBADMP CC[N@@H+](CCC(=O)NC)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904470639 656328584 /nfs/dbraw/zinc/32/85/84/656328584.db2.gz ZYKUTFKFTDBQSH-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000904958462 656330625 /nfs/dbraw/zinc/33/06/25/656330625.db2.gz GRZPVCFHWVNCTK-SLEUVZQESA-N 2 1 294.399 -0.783 20 0 CBADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905036306 656335505 /nfs/dbraw/zinc/33/55/05/656335505.db2.gz QYQSQBYWJJKUGV-GFCCVEGCSA-N 2 1 260.378 -0.180 20 0 CBADMP C[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000905329243 656349407 /nfs/dbraw/zinc/34/94/07/656349407.db2.gz JBJIEBRDGKMONC-JTQLQIEISA-N 2 1 261.391 -0.391 20 0 CBADMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905343366 656350462 /nfs/dbraw/zinc/35/04/62/656350462.db2.gz FJEANPCJLPDORG-OLZOCXBDSA-N 2 1 274.405 -0.055 20 0 CBADMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905343837 656350471 /nfs/dbraw/zinc/35/04/71/656350471.db2.gz GXAJKIYJCDSWSU-NEPJUHHUSA-N 2 1 260.378 -0.445 20 0 CBADMP O[C@@H](C[NH2+]C[C@H](O)C1(O)CCC1)C[NH+]1CCCC1 ZINC000905344595 656351262 /nfs/dbraw/zinc/35/12/62/656351262.db2.gz KHDGRHYWYJRUGL-RYUDHWBXSA-N 2 1 258.362 -0.691 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000905345528 656351423 /nfs/dbraw/zinc/35/14/23/656351423.db2.gz NLSQVERHYSUXKD-CHWSQXEVSA-N 2 1 274.405 -0.198 20 0 CBADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905365338 656354485 /nfs/dbraw/zinc/35/44/85/656354485.db2.gz OICFPKWLTCQTQK-QWHCGFSZSA-N 2 1 274.405 -0.055 20 0 CBADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000905465531 656359128 /nfs/dbraw/zinc/35/91/28/656359128.db2.gz MFIUUFZDHWZWPU-FPCVCCKLSA-N 2 1 294.395 -0.047 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000905465531 656359133 /nfs/dbraw/zinc/35/91/33/656359133.db2.gz MFIUUFZDHWZWPU-FPCVCCKLSA-N 2 1 294.395 -0.047 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CCN1CCNC1=O)C1CC1 ZINC000905480168 656359595 /nfs/dbraw/zinc/35/95/95/656359595.db2.gz DKAXCOWIJTWVQT-LLVKDONJSA-N 2 1 256.350 -0.944 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CCN1CCNC1=O)C1CC1 ZINC000905480168 656359592 /nfs/dbraw/zinc/35/95/92/656359592.db2.gz DKAXCOWIJTWVQT-LLVKDONJSA-N 2 1 256.350 -0.944 20 0 CBADMP C[N@@H+](Cc1ccccc1)C[C@H](O)CNC[C@@H](O)CO ZINC000905710108 656366718 /nfs/dbraw/zinc/36/67/18/656366718.db2.gz SXXTYZZDUCYMFE-ZIAGYGMSSA-N 2 1 268.357 -0.578 20 0 CBADMP C[NH+]1CCN(c2ncc(CN[C@H]3C[C@H]([NH3+])C3)cn2)CC1 ZINC000906516298 656390406 /nfs/dbraw/zinc/39/04/06/656390406.db2.gz BKLSMDUUGNNCKH-JOCQHMNTSA-N 2 1 276.388 -0.192 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000906583105 656392747 /nfs/dbraw/zinc/39/27/47/656392747.db2.gz BSZXYNOHAKUTNA-CYBMUJFWSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000906583105 656392752 /nfs/dbraw/zinc/39/27/52/656392752.db2.gz BSZXYNOHAKUTNA-CYBMUJFWSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000906583105 656392756 /nfs/dbraw/zinc/39/27/56/656392756.db2.gz BSZXYNOHAKUTNA-CYBMUJFWSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC000906692140 656398070 /nfs/dbraw/zinc/39/80/70/656398070.db2.gz IXJSSCLGGISWGD-CYBMUJFWSA-N 2 1 282.432 -0.110 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906872592 656403842 /nfs/dbraw/zinc/40/38/42/656403842.db2.gz MFPKSCHZIZFBNJ-ZDUSSCGKSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@H]1CC[NH+](CCNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906872592 656403846 /nfs/dbraw/zinc/40/38/46/656403846.db2.gz MFPKSCHZIZFBNJ-ZDUSSCGKSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@H]1CC[NH+](CCNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906872592 656403850 /nfs/dbraw/zinc/40/38/50/656403850.db2.gz MFPKSCHZIZFBNJ-ZDUSSCGKSA-N 2 1 282.432 -0.062 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000906895022 656405783 /nfs/dbraw/zinc/40/57/83/656405783.db2.gz GNHDHXJTZATISZ-UHFFFAOYSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996302082 656407637 /nfs/dbraw/zinc/40/76/37/656407637.db2.gz VZHKZFDLYIOUEA-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996610784 656446505 /nfs/dbraw/zinc/44/65/05/656446505.db2.gz KNKOKGMNNXWRPB-NEPJUHHUSA-N 2 1 269.389 -0.243 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996647840 656448725 /nfs/dbraw/zinc/44/87/25/656448725.db2.gz QKBUVFIQFRVKLA-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996647840 656448733 /nfs/dbraw/zinc/44/87/33/656448733.db2.gz QKBUVFIQFRVKLA-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1)C(N)=O ZINC000996723367 656454622 /nfs/dbraw/zinc/45/46/22/656454622.db2.gz MAOPKGOLEDGFJK-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997005577 656463520 /nfs/dbraw/zinc/46/35/20/656463520.db2.gz ISFSKNFEMOVUOV-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]C[C@@H](C)O)CC2)C1 ZINC000997337902 656473442 /nfs/dbraw/zinc/47/34/42/656473442.db2.gz WWMCPXVXEBLETB-OCCSQVGLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]C[C@@H](C)O)CC2)C1 ZINC000997337902 656473446 /nfs/dbraw/zinc/47/34/46/656473446.db2.gz WWMCPXVXEBLETB-OCCSQVGLSA-N 2 1 299.415 -0.332 20 0 CBADMP Cn1cncc1CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907309001 656485373 /nfs/dbraw/zinc/48/53/73/656485373.db2.gz YIPOBFBYAGAOSP-DGCLKSJQSA-N 2 1 266.345 -0.466 20 0 CBADMP Cn1cncc1CCNC(=O)[C@@]1(C)C[C@@H](O)CN1C ZINC000907309001 656485384 /nfs/dbraw/zinc/48/53/84/656485384.db2.gz YIPOBFBYAGAOSP-DGCLKSJQSA-N 2 1 266.345 -0.466 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCN1CCCOCC1 ZINC000907614409 656541056 /nfs/dbraw/zinc/54/10/56/656541056.db2.gz YCVIUQIIUVMAGO-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]CCF)C1 ZINC000998588177 656550945 /nfs/dbraw/zinc/55/09/45/656550945.db2.gz YGBDHTULBDNMEW-MCIGGMRASA-N 2 1 273.352 -0.135 20 0 CBADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CCF)C1 ZINC000998588177 656550950 /nfs/dbraw/zinc/55/09/50/656550950.db2.gz YGBDHTULBDNMEW-MCIGGMRASA-N 2 1 273.352 -0.135 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000907762836 656572134 /nfs/dbraw/zinc/57/21/34/656572134.db2.gz GCAVIBKVWKABIZ-BXUZGUMPSA-N 2 1 293.371 -0.487 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000907762836 656572143 /nfs/dbraw/zinc/57/21/43/656572143.db2.gz GCAVIBKVWKABIZ-BXUZGUMPSA-N 2 1 293.371 -0.487 20 0 CBADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC000999362657 656625619 /nfs/dbraw/zinc/62/56/19/656625619.db2.gz CMCAJNXFYIGMAK-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+]1CCC(ONC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000908029504 656627990 /nfs/dbraw/zinc/62/79/90/656627990.db2.gz LWGFVAUWMXPQJS-AWEZNQCLSA-N 2 1 285.388 -0.025 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000908201956 656668127 /nfs/dbraw/zinc/66/81/27/656668127.db2.gz NNMPTVDLKCZYEE-UPJWGTAASA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908201956 656668133 /nfs/dbraw/zinc/66/81/33/656668133.db2.gz NNMPTVDLKCZYEE-UPJWGTAASA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000908201956 656668138 /nfs/dbraw/zinc/66/81/38/656668138.db2.gz NNMPTVDLKCZYEE-UPJWGTAASA-N 2 1 267.373 -0.252 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@H](CO)C[NH+]1CCCC1 ZINC000908205034 656671927 /nfs/dbraw/zinc/67/19/27/656671927.db2.gz UJLOTFWYEUJZIR-LBPRGKRZSA-N 2 1 255.362 -0.345 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000004676 656678092 /nfs/dbraw/zinc/67/80/92/656678092.db2.gz CTSRWCNTHVBFKO-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000004676 656678103 /nfs/dbraw/zinc/67/81/03/656678103.db2.gz CTSRWCNTHVBFKO-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000546714 656734527 /nfs/dbraw/zinc/73/45/27/656734527.db2.gz IJTZVKXGWGEOET-AWEZNQCLSA-N 2 1 297.399 -0.288 20 0 CBADMP COCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000546714 656734531 /nfs/dbraw/zinc/73/45/31/656734531.db2.gz IJTZVKXGWGEOET-AWEZNQCLSA-N 2 1 297.399 -0.288 20 0 CBADMP COCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001000546714 656734537 /nfs/dbraw/zinc/73/45/37/656734537.db2.gz IJTZVKXGWGEOET-AWEZNQCLSA-N 2 1 297.399 -0.288 20 0 CBADMP COCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001000546714 656734544 /nfs/dbraw/zinc/73/45/44/656734544.db2.gz IJTZVKXGWGEOET-AWEZNQCLSA-N 2 1 297.399 -0.288 20 0 CBADMP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000908597529 656752735 /nfs/dbraw/zinc/75/27/35/656752735.db2.gz GDMVBRSNCUGWMY-ZDUSSCGKSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000908597529 656752743 /nfs/dbraw/zinc/75/27/43/656752743.db2.gz GDMVBRSNCUGWMY-ZDUSSCGKSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000686149 656759173 /nfs/dbraw/zinc/75/91/73/656759173.db2.gz ALXIIRDLWDIYGN-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000687716 656759330 /nfs/dbraw/zinc/75/93/30/656759330.db2.gz HMPKOMLQPDHLNQ-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000686151 656759946 /nfs/dbraw/zinc/75/99/46/656759946.db2.gz ALXIIRDLWDIYGN-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001001263202 656805284 /nfs/dbraw/zinc/80/52/84/656805284.db2.gz INRFTLZYCQUNDF-GFCCVEGCSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+](C)CC(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909322256 656806962 /nfs/dbraw/zinc/80/69/62/656806962.db2.gz DLJWCBYLLQTHQM-UHFFFAOYSA-N 2 1 270.377 -0.734 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCO)CC1 ZINC001002474153 656833844 /nfs/dbraw/zinc/83/38/44/656833844.db2.gz IOPAYMOGQCGCJI-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001002462422 656833986 /nfs/dbraw/zinc/83/39/86/656833986.db2.gz UJXWOAUWPDFTOF-PWSUYJOCSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001002462422 656833988 /nfs/dbraw/zinc/83/39/88/656833988.db2.gz UJXWOAUWPDFTOF-PWSUYJOCSA-N 2 1 282.388 -0.465 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002475142 656834313 /nfs/dbraw/zinc/83/43/13/656834313.db2.gz KSDBALGJFUCDAV-CHWSQXEVSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002475159 656835103 /nfs/dbraw/zinc/83/51/03/656835103.db2.gz KSDBALGJFUCDAV-QWHCGFSZSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001002478381 656835627 /nfs/dbraw/zinc/83/56/27/656835627.db2.gz CGNZZMZUCPTATR-CHWSQXEVSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001002478381 656835629 /nfs/dbraw/zinc/83/56/29/656835629.db2.gz CGNZZMZUCPTATR-CHWSQXEVSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001003139221 656849382 /nfs/dbraw/zinc/84/93/82/656849382.db2.gz PFCYLYZVXQLVKW-OUCADQQQSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001003139221 656849385 /nfs/dbraw/zinc/84/93/85/656849385.db2.gz PFCYLYZVXQLVKW-OUCADQQQSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCO)CC2)O1 ZINC001003139447 656849807 /nfs/dbraw/zinc/84/98/07/656849807.db2.gz QJMZHCGJNQKZAP-DGCLKSJQSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCO)CC2)O1 ZINC001003139447 656849810 /nfs/dbraw/zinc/84/98/10/656849810.db2.gz QJMZHCGJNQKZAP-DGCLKSJQSA-N 2 1 285.388 -0.722 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001003625029 656865145 /nfs/dbraw/zinc/86/51/45/656865145.db2.gz ZMPZQRSRCNIRPD-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003625029 656865146 /nfs/dbraw/zinc/86/51/46/656865146.db2.gz ZMPZQRSRCNIRPD-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001003625690 656866283 /nfs/dbraw/zinc/86/62/83/656866283.db2.gz JNZRYBVFNWWQMR-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001003625690 656866285 /nfs/dbraw/zinc/86/62/85/656866285.db2.gz JNZRYBVFNWWQMR-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001003627992 656866306 /nfs/dbraw/zinc/86/63/06/656866306.db2.gz LIDCSXSNWUBWOL-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000910608776 656877873 /nfs/dbraw/zinc/87/78/73/656877873.db2.gz CXKLUCUTLMQQDM-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000910608776 656877874 /nfs/dbraw/zinc/87/78/74/656877874.db2.gz CXKLUCUTLMQQDM-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000910608780 656878401 /nfs/dbraw/zinc/87/84/01/656878401.db2.gz CXKLUCUTLMQQDM-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000910608780 656878405 /nfs/dbraw/zinc/87/84/05/656878405.db2.gz CXKLUCUTLMQQDM-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001003973879 656879048 /nfs/dbraw/zinc/87/90/48/656879048.db2.gz GREDSEXKOUQVHF-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001003973879 656879051 /nfs/dbraw/zinc/87/90/51/656879051.db2.gz GREDSEXKOUQVHF-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001004144920 656881540 /nfs/dbraw/zinc/88/15/40/656881540.db2.gz REWCSANQOQTSQF-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001004144920 656881543 /nfs/dbraw/zinc/88/15/43/656881543.db2.gz REWCSANQOQTSQF-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004145745 656881761 /nfs/dbraw/zinc/88/17/61/656881761.db2.gz TVLRTZUZIOBTLE-GHMZBOCLSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004145745 656881763 /nfs/dbraw/zinc/88/17/63/656881763.db2.gz TVLRTZUZIOBTLE-GHMZBOCLSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001004179762 656882464 /nfs/dbraw/zinc/88/24/64/656882464.db2.gz TWHAXHQJFPBHCK-CYBMUJFWSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001004179762 656882468 /nfs/dbraw/zinc/88/24/68/656882468.db2.gz TWHAXHQJFPBHCK-CYBMUJFWSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000910930281 656903287 /nfs/dbraw/zinc/90/32/87/656903287.db2.gz IEHCIJBFJFMJRM-PWSUYJOCSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000910930279 656904899 /nfs/dbraw/zinc/90/48/99/656904899.db2.gz IEHCIJBFJFMJRM-CMPLNLGQSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000910931131 656905591 /nfs/dbraw/zinc/90/55/91/656905591.db2.gz NQIZTEQMSCDRCF-QWHCGFSZSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000910931131 656905607 /nfs/dbraw/zinc/90/56/07/656905607.db2.gz NQIZTEQMSCDRCF-QWHCGFSZSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC[N@H+]1C ZINC000911007407 656927979 /nfs/dbraw/zinc/92/79/79/656927979.db2.gz JPWMHDPFOGYYNQ-UTUOFQBUSA-N 2 1 296.415 -0.219 20 0 CBADMP 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 656928685 /nfs/dbraw/zinc/92/86/85/656928685.db2.gz HKYYNOFWUNRICE-YVECIDJPSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000911006629 656928849 /nfs/dbraw/zinc/92/88/49/656928849.db2.gz GFRZISDEQLWCKK-WOPDTQHZSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)C[C@H]1[NH3+] ZINC000911016584 656931726 /nfs/dbraw/zinc/93/17/26/656931726.db2.gz FMSIPMSDCFTFPB-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911016112 656931921 /nfs/dbraw/zinc/93/19/21/656931921.db2.gz VQHHFTQMEVWAPD-NSHDSACASA-N 2 1 282.388 -0.558 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000911073178 656941095 /nfs/dbraw/zinc/94/10/95/656941095.db2.gz QRCNZIZZYUWVFZ-CKYFFXLPSA-N 2 1 280.372 -0.937 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000911073808 656941380 /nfs/dbraw/zinc/94/13/80/656941380.db2.gz WHSKJDKYBDAZQI-WDEREUQCSA-N 2 1 280.372 -0.711 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911136616 656960610 /nfs/dbraw/zinc/96/06/10/656960610.db2.gz ATUKBAUJLQWSPN-GRYCIOLGSA-N 2 1 291.355 -0.683 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000911148655 656964853 /nfs/dbraw/zinc/96/48/53/656964853.db2.gz ZHXMLAOICTVRJX-HNCHTBHHSA-N 2 1 294.399 -0.548 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911185678 656976468 /nfs/dbraw/zinc/97/64/68/656976468.db2.gz BLSVEEDBZFKYLT-WUHRBBMRSA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[N@@H+](C)C1CC1 ZINC000911204816 656984526 /nfs/dbraw/zinc/98/45/26/656984526.db2.gz HUNOZZPKTBXKFQ-JULQROHOSA-N 2 1 294.399 -0.406 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[N@@H+](C)C1CC1 ZINC000911206601 656984901 /nfs/dbraw/zinc/98/49/01/656984901.db2.gz QZRKEQGPPTVCKB-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911211266 656986857 /nfs/dbraw/zinc/98/68/57/656986857.db2.gz UHCGRWIIIJWTOD-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000911215678 656987612 /nfs/dbraw/zinc/98/76/12/656987612.db2.gz RCQOBBBORPEXRO-XQQFMLRXSA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC000911217612 656989437 /nfs/dbraw/zinc/98/94/37/656989437.db2.gz GIDQOZIPMKHTGQ-AAEUAGOBSA-N 2 1 294.399 -0.297 20 0 CBADMP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CC1)C1=CC[N@@H+](C)CC1 ZINC000911220643 656991618 /nfs/dbraw/zinc/99/16/18/656991618.db2.gz XJKSSJVWAPVMFR-SNVBAGLBSA-N 2 1 280.372 -0.640 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1[NH3+] ZINC000911270141 657004787 /nfs/dbraw/zinc/00/47/87/657004787.db2.gz UBJKOEFZJPXYJL-FVCCEPFGSA-N 2 1 294.399 -0.465 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911270232 657005498 /nfs/dbraw/zinc/00/54/98/657005498.db2.gz JLOVBVMRNGWXOZ-UHFFFAOYSA-N 2 1 298.431 -0.050 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000911270835 657005598 /nfs/dbraw/zinc/00/55/98/657005598.db2.gz RXQHMFHMRUUMAU-UHFFFAOYSA-N 2 1 296.415 -0.297 20 0 CBADMP O=C(N[C@H]1CCC[N@H+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001007349254 657005747 /nfs/dbraw/zinc/00/57/47/657005747.db2.gz MFMVPHVINZRKPC-UONOGXRCSA-N 2 1 281.400 -0.099 20 0 CBADMP Cc1cccc(NCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[nH+]1 ZINC000911272676 657005854 /nfs/dbraw/zinc/00/58/54/657005854.db2.gz DSZSPMOSXPGBQN-NSHDSACASA-N 2 1 291.355 -0.604 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000911274691 657006363 /nfs/dbraw/zinc/00/63/63/657006363.db2.gz QPAHWUREPRQWMV-LBPRGKRZSA-N 2 1 296.415 -0.312 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000911281704 657008920 /nfs/dbraw/zinc/00/89/20/657008920.db2.gz POIPMQWPBKSDDI-UHFFFAOYSA-N 2 1 279.344 -0.746 20 0 CBADMP Cc1cccc(NCCNC(=O)C(=O)NC2C[NH2+]C2)[nH+]1 ZINC000911288639 657010875 /nfs/dbraw/zinc/01/08/75/657010875.db2.gz PTRYWTCGHXGCFE-UHFFFAOYSA-N 2 1 277.328 -0.994 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000911302329 657014879 /nfs/dbraw/zinc/01/48/79/657014879.db2.gz JXWRRZYXMVGNCM-XPCVCDNBSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)[C@@H]2C1 ZINC000911302329 657014886 /nfs/dbraw/zinc/01/48/86/657014886.db2.gz JXWRRZYXMVGNCM-XPCVCDNBSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)[C@@H]2C1 ZINC000911302329 657014890 /nfs/dbraw/zinc/01/48/90/657014890.db2.gz JXWRRZYXMVGNCM-XPCVCDNBSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000911302327 657015315 /nfs/dbraw/zinc/01/53/15/657015315.db2.gz JXWRRZYXMVGNCM-KYEXWDHISA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)[C@@H]2C1 ZINC000911302327 657015319 /nfs/dbraw/zinc/01/53/19/657015319.db2.gz JXWRRZYXMVGNCM-KYEXWDHISA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)[C@@H]2C1 ZINC000911302327 657015324 /nfs/dbraw/zinc/01/53/24/657015324.db2.gz JXWRRZYXMVGNCM-KYEXWDHISA-N 2 1 281.400 -0.006 20 0 CBADMP 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 657018443 /nfs/dbraw/zinc/01/84/43/657018443.db2.gz OBJRLRRCOUHFIJ-JUFZMCDQSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000911375258 657031044 /nfs/dbraw/zinc/03/10/44/657031044.db2.gz TXSLWDOBGDIQGF-KGYLQXTDSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000911382488 657032842 /nfs/dbraw/zinc/03/28/42/657032842.db2.gz MWTRPRCHCKQZQS-GRYCIOLGSA-N 2 1 282.388 -0.832 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)NCCNc1ccc(C)c[nH+]1 ZINC000911481492 657054152 /nfs/dbraw/zinc/05/41/52/657054152.db2.gz UUZBTRJVYBOMSJ-UHFFFAOYSA-N 2 1 293.371 -0.404 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911501252 657056240 /nfs/dbraw/zinc/05/62/40/657056240.db2.gz AUYZUGFRFVCUKK-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911501254 657056770 /nfs/dbraw/zinc/05/67/70/657056770.db2.gz AUYZUGFRFVCUKK-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CC3)CC[C@@H]21 ZINC000911504727 657058593 /nfs/dbraw/zinc/05/85/93/657058593.db2.gz NNLPHRYTCKUBEO-NEPJUHHUSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504534 657058771 /nfs/dbraw/zinc/05/87/71/657058771.db2.gz KSMOKGFXHMVBML-SNVBAGLBSA-N 2 1 268.361 -0.806 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911505610 657059474 /nfs/dbraw/zinc/05/94/74/657059474.db2.gz GCYAQRHLCNPORI-UHFFFAOYSA-N 2 1 282.388 -0.558 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911505418 657059797 /nfs/dbraw/zinc/05/97/97/657059797.db2.gz CRVHFPJDWIDHQK-SNVBAGLBSA-N 2 1 282.388 -0.417 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)C[C@@H]1C ZINC000911506334 657060213 /nfs/dbraw/zinc/06/02/13/657060213.db2.gz ZQDRYWMPIOZSCZ-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)C[C@@H]1C ZINC000911506333 657060378 /nfs/dbraw/zinc/06/03/78/657060378.db2.gz ZQDRYWMPIOZSCZ-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC2([NH3+])CC2)C[C@@H]1C ZINC000911506616 657060689 /nfs/dbraw/zinc/06/06/89/657060689.db2.gz PUTKLOXYVNLRIO-WDEREUQCSA-N 2 1 282.388 -0.465 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC2([NH3+])CC2)C[C@@H]1C ZINC000911506616 657060693 /nfs/dbraw/zinc/06/06/93/657060693.db2.gz PUTKLOXYVNLRIO-WDEREUQCSA-N 2 1 282.388 -0.465 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CC3)CC[C@H]21 ZINC000911506596 657060798 /nfs/dbraw/zinc/06/07/98/657060798.db2.gz PMVOONGPRXKGCR-GHMZBOCLSA-N 2 1 280.372 -0.854 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CC3)C[C@]2(C)C1 ZINC000911507269 657061379 /nfs/dbraw/zinc/06/13/79/657061379.db2.gz UFCMUPRJIBOOCZ-MFKMUULPSA-N 2 1 280.372 -0.996 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC[NH2+]1 ZINC000911529669 657068164 /nfs/dbraw/zinc/06/81/64/657068164.db2.gz FJAQEWOHJLCZIS-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911531989 657070183 /nfs/dbraw/zinc/07/01/83/657070183.db2.gz IFUMAPWVMICVJQ-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911563826 657079750 /nfs/dbraw/zinc/07/97/50/657079750.db2.gz STPGXKKVSUZDRY-SRVKXCTJSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911564978 657080473 /nfs/dbraw/zinc/08/04/73/657080473.db2.gz XMVCSPLQAWBRSL-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001009595525 657082513 /nfs/dbraw/zinc/08/25/13/657082513.db2.gz PKHPTUYETAOORU-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001009595525 657082499 /nfs/dbraw/zinc/08/24/99/657082499.db2.gz PKHPTUYETAOORU-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001009595525 657082504 /nfs/dbraw/zinc/08/25/04/657082504.db2.gz PKHPTUYETAOORU-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001009595525 657082510 /nfs/dbraw/zinc/08/25/10/657082510.db2.gz PKHPTUYETAOORU-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001009595526 657082699 /nfs/dbraw/zinc/08/26/99/657082699.db2.gz PKHPTUYETAOORU-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001009595526 657082709 /nfs/dbraw/zinc/08/27/09/657082709.db2.gz PKHPTUYETAOORU-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001009595526 657082718 /nfs/dbraw/zinc/08/27/18/657082718.db2.gz PKHPTUYETAOORU-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001009595526 657082725 /nfs/dbraw/zinc/08/27/25/657082725.db2.gz PKHPTUYETAOORU-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(CCCF)CC1 ZINC000911591262 657083133 /nfs/dbraw/zinc/08/31/33/657083133.db2.gz YTKOJAGQDKFZOM-GXTWGEPZSA-N 2 1 287.379 -0.055 20 0 CBADMP CN1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(CCCF)CC1 ZINC000911591262 657083139 /nfs/dbraw/zinc/08/31/39/657083139.db2.gz YTKOJAGQDKFZOM-GXTWGEPZSA-N 2 1 287.379 -0.055 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCN1CC[NH2+]CC1)CC2 ZINC000911695258 657105644 /nfs/dbraw/zinc/10/56/44/657105644.db2.gz JSVNAQVNVFUJDH-CYBMUJFWSA-N 2 1 291.399 -0.225 20 0 CBADMP COCC[NH+](CCOC)C1CN(C(=O)C[NH+]2CCCC2)C1 ZINC000911858993 657148106 /nfs/dbraw/zinc/14/81/06/657148106.db2.gz FISYUJDKNRUVBV-UHFFFAOYSA-N 2 1 299.415 -0.112 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001010383243 657171474 /nfs/dbraw/zinc/17/14/74/657171474.db2.gz SDZDFCFWMASSBR-QWHCGFSZSA-N 2 1 292.387 -0.437 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001010383243 657171484 /nfs/dbraw/zinc/17/14/84/657171484.db2.gz SDZDFCFWMASSBR-QWHCGFSZSA-N 2 1 292.387 -0.437 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001010383243 657171489 /nfs/dbraw/zinc/17/14/89/657171489.db2.gz SDZDFCFWMASSBR-QWHCGFSZSA-N 2 1 292.387 -0.437 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001010383243 657171491 /nfs/dbraw/zinc/17/14/91/657171491.db2.gz SDZDFCFWMASSBR-QWHCGFSZSA-N 2 1 292.387 -0.437 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001010383244 657171706 /nfs/dbraw/zinc/17/17/06/657171706.db2.gz SDZDFCFWMASSBR-STQMWFEESA-N 2 1 292.387 -0.437 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001010383244 657171714 /nfs/dbraw/zinc/17/17/14/657171714.db2.gz SDZDFCFWMASSBR-STQMWFEESA-N 2 1 292.387 -0.437 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001010383244 657171724 /nfs/dbraw/zinc/17/17/24/657171724.db2.gz SDZDFCFWMASSBR-STQMWFEESA-N 2 1 292.387 -0.437 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001010383244 657171733 /nfs/dbraw/zinc/17/17/33/657171733.db2.gz SDZDFCFWMASSBR-STQMWFEESA-N 2 1 292.387 -0.437 20 0 CBADMP C[C@H](CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)[NH+](C)C ZINC000912387240 657246741 /nfs/dbraw/zinc/24/67/41/657246741.db2.gz AUJAONHPLOXKEO-NQBHXWOUSA-N 2 1 257.378 -0.102 20 0 CBADMP C[C@H](CCNC(=O)C1CN(C)CC[N@@H+](C)C1)[NH+](C)C ZINC000912386179 657247041 /nfs/dbraw/zinc/24/70/41/657247041.db2.gz CERQBHLSWIXHNJ-GFCCVEGCSA-N 2 1 270.421 -0.064 20 0 CBADMP CN(CC1C[NH+](C)C1)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000912452834 657266707 /nfs/dbraw/zinc/26/67/07/657266707.db2.gz AZTKSSUHPPFRFU-DGCLKSJQSA-N 2 1 255.362 -0.539 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CC[N@H+](C)CCO ZINC000912600255 657291858 /nfs/dbraw/zinc/29/18/58/657291858.db2.gz XRXXGQWWRJCCNW-UHFFFAOYSA-N 2 1 254.334 -0.426 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CC[N@@H+](C)CCO ZINC000912600255 657291864 /nfs/dbraw/zinc/29/18/64/657291864.db2.gz XRXXGQWWRJCCNW-UHFFFAOYSA-N 2 1 254.334 -0.426 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000912602317 657292088 /nfs/dbraw/zinc/29/20/88/657292088.db2.gz XZKLCZHJFKDZOZ-CYBMUJFWSA-N 2 1 285.388 -0.910 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+](C)C[C@@H]2CO)C1 ZINC000912736836 657323878 /nfs/dbraw/zinc/32/38/78/657323878.db2.gz ZDBPMOREPWDLCU-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH+](C)C[C@@H]2CO)C1 ZINC000912736836 657323882 /nfs/dbraw/zinc/32/38/82/657323882.db2.gz ZDBPMOREPWDLCU-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC[N@H+](C)C[C@@H]2CO)C1 ZINC000912736836 657323892 /nfs/dbraw/zinc/32/38/92/657323892.db2.gz ZDBPMOREPWDLCU-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC[N@@H+](C)C[C@@H]2CO)C1 ZINC000912736836 657323898 /nfs/dbraw/zinc/32/38/98/657323898.db2.gz ZDBPMOREPWDLCU-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CCC(CC(=O)N2CC[N@H+](C)C[C@H]2CO)CC1 ZINC000912740204 657331803 /nfs/dbraw/zinc/33/18/03/657331803.db2.gz RLKNVUAAGKMYIH-ZDUSSCGKSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CCC(CC(=O)N2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC000912740204 657331806 /nfs/dbraw/zinc/33/18/06/657331806.db2.gz RLKNVUAAGKMYIH-ZDUSSCGKSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CCC(CC(=O)N2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC000912740203 657332304 /nfs/dbraw/zinc/33/23/04/657332304.db2.gz RLKNVUAAGKMYIH-CYBMUJFWSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CCC(CC(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC000912740203 657332308 /nfs/dbraw/zinc/33/23/08/657332308.db2.gz RLKNVUAAGKMYIH-CYBMUJFWSA-N 2 1 269.389 -0.147 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC[NH2+]1 ZINC000912766054 657341021 /nfs/dbraw/zinc/34/10/21/657341021.db2.gz OVKQGWYMBJBTNN-OBJOEFQTSA-N 2 1 269.389 -0.102 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCCN1CCC2(C1)OCCO2 ZINC000912897756 657355313 /nfs/dbraw/zinc/35/53/13/657355313.db2.gz XRLJPCXBNWSKDP-UHFFFAOYSA-N 2 1 294.355 -0.243 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001014722349 657379581 /nfs/dbraw/zinc/37/95/81/657379581.db2.gz MFZWHKWKAOFHSG-VXGBXAGGSA-N 2 1 278.356 -0.057 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001014722349 657379588 /nfs/dbraw/zinc/37/95/88/657379588.db2.gz MFZWHKWKAOFHSG-VXGBXAGGSA-N 2 1 278.356 -0.057 20 0 CBADMP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014918984 657390996 /nfs/dbraw/zinc/39/09/96/657390996.db2.gz DCYDZMOSSQEILA-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014918984 657390998 /nfs/dbraw/zinc/39/09/98/657390998.db2.gz DCYDZMOSSQEILA-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014918984 657391003 /nfs/dbraw/zinc/39/10/03/657391003.db2.gz DCYDZMOSSQEILA-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014918984 657391006 /nfs/dbraw/zinc/39/10/06/657391006.db2.gz DCYDZMOSSQEILA-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)C12CC[NH+](CC1)C2 ZINC000913171363 657391033 /nfs/dbraw/zinc/39/10/33/657391033.db2.gz KKYUMYZFRVBUCK-LLVKDONJSA-N 2 1 253.346 -0.735 20 0 CBADMP C[N@H+]1CCC[C@@](O)(CC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000913171311 657391709 /nfs/dbraw/zinc/39/17/09/657391709.db2.gz JHGUZFLGPWLRST-TZMCWYRMSA-N 2 1 285.388 -0.984 20 0 CBADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCO)C1 ZINC001014961374 657393034 /nfs/dbraw/zinc/39/30/34/657393034.db2.gz HIFLZMTZUAASNI-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCO)C1 ZINC001014961374 657393038 /nfs/dbraw/zinc/39/30/38/657393038.db2.gz HIFLZMTZUAASNI-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001014961374 657393040 /nfs/dbraw/zinc/39/30/40/657393040.db2.gz HIFLZMTZUAASNI-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001014961374 657393045 /nfs/dbraw/zinc/39/30/45/657393045.db2.gz HIFLZMTZUAASNI-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC(CC(=O)NC[C@]2(CO)COCC[NH2+]2)CC1 ZINC000913183956 657405415 /nfs/dbraw/zinc/40/54/15/657405415.db2.gz WLBDERMZPACLQM-AWEZNQCLSA-N 2 1 285.388 -0.815 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913189304 657414594 /nfs/dbraw/zinc/41/45/94/657414594.db2.gz UQSIKRRWVYWRIU-SCRDCRAPSA-N 2 1 285.388 -0.674 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913189304 657414600 /nfs/dbraw/zinc/41/46/00/657414600.db2.gz UQSIKRRWVYWRIU-SCRDCRAPSA-N 2 1 285.388 -0.674 20 0 CBADMP C[C@@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)[NH+]1CCCCCC1 ZINC000913189379 657418075 /nfs/dbraw/zinc/41/80/75/657418075.db2.gz VQSHKWUSSQSDJD-ZFWWWQNUSA-N 2 1 299.415 -0.282 20 0 CBADMP C[NH+](C)CCn1nccc1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000913351282 657443585 /nfs/dbraw/zinc/44/35/85/657443585.db2.gz BOZMGTPLOGBVOX-LBPRGKRZSA-N 2 1 295.387 -0.759 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001015598598 657464855 /nfs/dbraw/zinc/46/48/55/657464855.db2.gz BHAKQGGXXWGTAP-QWHCGFSZSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001015598598 657464890 /nfs/dbraw/zinc/46/48/90/657464890.db2.gz BHAKQGGXXWGTAP-QWHCGFSZSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCO)C2)C1 ZINC001015598598 657464912 /nfs/dbraw/zinc/46/49/12/657464912.db2.gz BHAKQGGXXWGTAP-QWHCGFSZSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001015598598 657464932 /nfs/dbraw/zinc/46/49/32/657464932.db2.gz BHAKQGGXXWGTAP-QWHCGFSZSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001015598596 657466601 /nfs/dbraw/zinc/46/66/01/657466601.db2.gz BHAKQGGXXWGTAP-CHWSQXEVSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001015598596 657466616 /nfs/dbraw/zinc/46/66/16/657466616.db2.gz BHAKQGGXXWGTAP-CHWSQXEVSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001015598596 657466623 /nfs/dbraw/zinc/46/66/23/657466623.db2.gz BHAKQGGXXWGTAP-CHWSQXEVSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001015598596 657466632 /nfs/dbraw/zinc/46/66/32/657466632.db2.gz BHAKQGGXXWGTAP-CHWSQXEVSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001015599579 657473118 /nfs/dbraw/zinc/47/31/18/657473118.db2.gz QZRZDKSTDMDIGA-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001015599579 657473126 /nfs/dbraw/zinc/47/31/26/657473126.db2.gz QZRZDKSTDMDIGA-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001015599579 657473136 /nfs/dbraw/zinc/47/31/36/657473136.db2.gz QZRZDKSTDMDIGA-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001015599579 657473145 /nfs/dbraw/zinc/47/31/45/657473145.db2.gz QZRZDKSTDMDIGA-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001015655226 657504856 /nfs/dbraw/zinc/50/48/56/657504856.db2.gz LTLJAIDTRJNWGE-GFCCVEGCSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015655345 657505056 /nfs/dbraw/zinc/50/50/56/657505056.db2.gz NTVUEJPQLATTJJ-CHWSQXEVSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015655345 657505062 /nfs/dbraw/zinc/50/50/62/657505062.db2.gz NTVUEJPQLATTJJ-CHWSQXEVSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015655348 657505348 /nfs/dbraw/zinc/50/53/48/657505348.db2.gz NTVUEJPQLATTJJ-STQMWFEESA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015655348 657505351 /nfs/dbraw/zinc/50/53/51/657505351.db2.gz NTVUEJPQLATTJJ-STQMWFEESA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001015705085 657522963 /nfs/dbraw/zinc/52/29/63/657522963.db2.gz HTVMGUMVEPIJGZ-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCO)C2)C1 ZINC001015705085 657522967 /nfs/dbraw/zinc/52/29/67/657522967.db2.gz HTVMGUMVEPIJGZ-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001015705085 657522975 /nfs/dbraw/zinc/52/29/75/657522975.db2.gz HTVMGUMVEPIJGZ-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001015704644 657525018 /nfs/dbraw/zinc/52/50/18/657525018.db2.gz BODONGNKNHZNQB-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001015704644 657525028 /nfs/dbraw/zinc/52/50/28/657525028.db2.gz BODONGNKNHZNQB-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001015704644 657525039 /nfs/dbraw/zinc/52/50/39/657525039.db2.gz BODONGNKNHZNQB-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913548106 657530740 /nfs/dbraw/zinc/53/07/40/657530740.db2.gz DAAZTASDYOTFHO-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913548106 657530750 /nfs/dbraw/zinc/53/07/50/657530750.db2.gz DAAZTASDYOTFHO-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@H](C(=O)NC12CC[NH+](CC1)C2)N1CC[NH+](C)CC1 ZINC000913629889 657570200 /nfs/dbraw/zinc/57/02/00/657570200.db2.gz QMRVPWKIQQXHDF-GFCCVEGCSA-N 2 1 266.389 -0.413 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003589 657628840 /nfs/dbraw/zinc/62/88/40/657628840.db2.gz KMFJBJLFBIXNNB-RYUDHWBXSA-N 2 1 294.399 -0.593 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003589 657628844 /nfs/dbraw/zinc/62/88/44/657628844.db2.gz KMFJBJLFBIXNNB-RYUDHWBXSA-N 2 1 294.399 -0.593 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004321 657630853 /nfs/dbraw/zinc/63/08/53/657630853.db2.gz WMBFNJOTKYPZLM-NWDGAFQWSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004321 657630859 /nfs/dbraw/zinc/63/08/59/657630859.db2.gz WMBFNJOTKYPZLM-NWDGAFQWSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252555 657669158 /nfs/dbraw/zinc/66/91/58/657669158.db2.gz TZBUZUSUCSABAQ-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CO)CC1 ZINC000916572982 657780765 /nfs/dbraw/zinc/78/07/65/657780765.db2.gz SDKZZYYSUOKORK-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001018264776 657799727 /nfs/dbraw/zinc/79/97/27/657799727.db2.gz AMQKVEWFMDKJSY-SYQHCUMBSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001018264776 657799737 /nfs/dbraw/zinc/79/97/37/657799737.db2.gz AMQKVEWFMDKJSY-SYQHCUMBSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001018264776 657799747 /nfs/dbraw/zinc/79/97/47/657799747.db2.gz AMQKVEWFMDKJSY-SYQHCUMBSA-N 2 1 281.400 -0.006 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NC1CC[NH+](CCO)CC1 ZINC000917836028 657818302 /nfs/dbraw/zinc/81/83/02/657818302.db2.gz AMSDYABEIAVIBV-GFCCVEGCSA-N 2 1 270.377 -0.554 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001018627522 657828449 /nfs/dbraw/zinc/82/84/49/657828449.db2.gz GYHYYLRLOSUQHL-AAEUAGOBSA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001018627522 657828455 /nfs/dbraw/zinc/82/84/55/657828455.db2.gz GYHYYLRLOSUQHL-AAEUAGOBSA-N 2 1 292.387 -0.400 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018838392 657849599 /nfs/dbraw/zinc/84/95/99/657849599.db2.gz ZEDGALVAFFQQRI-RYUDHWBXSA-N 2 1 282.388 -0.465 20 0 CBADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC[C@H]([NH2+]CCF)C1 ZINC001018963706 657855654 /nfs/dbraw/zinc/85/56/54/657855654.db2.gz VZTYODKJIZQUKV-QWHCGFSZSA-N 2 1 297.378 -0.027 20 0 CBADMP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001018971881 657856159 /nfs/dbraw/zinc/85/61/59/657856159.db2.gz YKEVJMFWOZWUTC-QWRGUYRKSA-N 2 1 282.388 -0.465 20 0 CBADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[C@H]([NH2+]CCO)C1 ZINC001019156126 657867872 /nfs/dbraw/zinc/86/78/72/657867872.db2.gz QSVWMGYVHNVSNS-LBPRGKRZSA-N 2 1 292.383 -0.055 20 0 CBADMP COCCC[N@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000921188052 657886098 /nfs/dbraw/zinc/88/60/98/657886098.db2.gz WNQHWRBRWOYGMC-UHFFFAOYSA-N 2 1 298.387 -0.072 20 0 CBADMP COCCC[N@@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000921188052 657886101 /nfs/dbraw/zinc/88/61/01/657886101.db2.gz WNQHWRBRWOYGMC-UHFFFAOYSA-N 2 1 298.387 -0.072 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019386606 657891214 /nfs/dbraw/zinc/89/12/14/657891214.db2.gz RMVLPCXIZFIICQ-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1)[NH+](C)C ZINC001019397051 657893034 /nfs/dbraw/zinc/89/30/34/657893034.db2.gz GSRNSVQKXTZIKD-AAEUAGOBSA-N 2 1 294.403 -0.154 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019652452 657927230 /nfs/dbraw/zinc/92/72/30/657927230.db2.gz MPJISPSOPRDEFT-MNOVXSKESA-N 2 1 268.361 -0.996 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019778241 657938712 /nfs/dbraw/zinc/93/87/12/657938712.db2.gz VNIZWNAVMCQWQH-RYUDHWBXSA-N 2 1 291.355 -0.729 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001019778189 657939264 /nfs/dbraw/zinc/93/92/64/657939264.db2.gz SLSPGTLJTLTUKP-ONGXEEELSA-N 2 1 279.344 -0.744 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCF)C2)C1 ZINC001019800370 657943526 /nfs/dbraw/zinc/94/35/26/657943526.db2.gz HHMKUEHKHBRCOS-RYUDHWBXSA-N 2 1 273.352 -0.133 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCF)C2)C1 ZINC001019800370 657943534 /nfs/dbraw/zinc/94/35/34/657943534.db2.gz HHMKUEHKHBRCOS-RYUDHWBXSA-N 2 1 273.352 -0.133 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019820293 657948578 /nfs/dbraw/zinc/94/85/78/657948578.db2.gz DSSSJUXUEHRUHE-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001020025555 657984723 /nfs/dbraw/zinc/98/47/23/657984723.db2.gz SQMFZLOPCDCSBW-GMTAPVOTSA-N 2 1 293.375 -0.959 20 0 CBADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001020025555 657984735 /nfs/dbraw/zinc/98/47/35/657984735.db2.gz SQMFZLOPCDCSBW-GMTAPVOTSA-N 2 1 293.375 -0.959 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001020025579 657985284 /nfs/dbraw/zinc/98/52/84/657985284.db2.gz UIFYZZZUFQBZQB-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP 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 658022584 /nfs/dbraw/zinc/02/25/84/658022584.db2.gz CHFQVVCOSIWJCY-NJMOYASZSA-N 2 1 296.415 -0.173 20 0 CBADMP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001020237782 658030173 /nfs/dbraw/zinc/03/01/73/658030173.db2.gz CQSGDAUPRYYZIX-SRVKXCTJSA-N 2 1 278.356 -0.010 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001020297242 658035431 /nfs/dbraw/zinc/03/54/31/658035431.db2.gz DIVPEINEQVVBNN-BJDJZHNGSA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001020287003 658036130 /nfs/dbraw/zinc/03/61/30/658036130.db2.gz RTTMRKCDDOLJBF-SYLRKERUSA-N 2 1 285.388 -0.677 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001020287003 658036136 /nfs/dbraw/zinc/03/61/36/658036136.db2.gz RTTMRKCDDOLJBF-SYLRKERUSA-N 2 1 285.388 -0.677 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001020333217 658038909 /nfs/dbraw/zinc/03/89/09/658038909.db2.gz OFHNGYHZRANANB-GMTAPVOTSA-N 2 1 296.371 -0.033 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1)C(N)=O ZINC001020397917 658047130 /nfs/dbraw/zinc/04/71/30/658047130.db2.gz JAPVQLKNEUWHIU-SRVKXCTJSA-N 2 1 293.371 -0.308 20 0 CBADMP 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 658061973 /nfs/dbraw/zinc/06/19/73/658061973.db2.gz FZCKOORZZIMCKC-VLJOUNFMSA-N 2 1 296.415 -0.173 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001020505911 658062105 /nfs/dbraw/zinc/06/21/05/658062105.db2.gz IHSUQOZZMOVWST-XUXIUFHCSA-N 2 1 299.415 -0.287 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001020505911 658062120 /nfs/dbraw/zinc/06/21/20/658062120.db2.gz IHSUQOZZMOVWST-XUXIUFHCSA-N 2 1 299.415 -0.287 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001020588871 658075674 /nfs/dbraw/zinc/07/56/74/658075674.db2.gz OZQFXYJTPGIYSB-FDYHWXHSSA-N 2 1 269.389 -0.054 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001020590100 658076085 /nfs/dbraw/zinc/07/60/85/658076085.db2.gz MBXMKESTYLXVPD-FDYHWXHSSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001020590102 658076774 /nfs/dbraw/zinc/07/67/74/658076774.db2.gz MBXMKESTYLXVPD-ZDEQEGDKSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001020928875 658119244 /nfs/dbraw/zinc/11/92/44/658119244.db2.gz ONBONZNHHJROPQ-USZNOCQGSA-N 2 1 282.388 -0.561 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280917 658187548 /nfs/dbraw/zinc/18/75/48/658187548.db2.gz KCZNMRBFCLLEGG-CHWSQXEVSA-N 3 1 296.415 -0.848 20 0 CBADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000923282502 658187987 /nfs/dbraw/zinc/18/79/87/658187987.db2.gz UXVFFVFHWVKPDB-YNEHKIRRSA-N 2 1 258.362 -0.177 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283773 658191886 /nfs/dbraw/zinc/19/18/86/658191886.db2.gz YDIGMANNUWMFFS-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP CC(C)OCC[C@@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000923286238 658193774 /nfs/dbraw/zinc/19/37/74/658193774.db2.gz LPCMYGQVYHLOGS-CQSZACIVSA-N 2 1 273.421 -0.001 20 0 CBADMP CC(C)NC(=O)C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301648 658197426 /nfs/dbraw/zinc/19/74/26/658197426.db2.gz JJICUWMWOORBLT-NSHDSACASA-N 2 1 255.362 -0.179 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301648 658197472 /nfs/dbraw/zinc/19/74/72/658197472.db2.gz JJICUWMWOORBLT-NSHDSACASA-N 2 1 255.362 -0.179 20 0 CBADMP CC(=O)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923300005 658198355 /nfs/dbraw/zinc/19/83/55/658198355.db2.gz LEBCRQNFMAXRNF-GFCCVEGCSA-N 2 1 253.346 -0.471 20 0 CBADMP NC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299415 658198768 /nfs/dbraw/zinc/19/87/68/658198768.db2.gz UNCUJVFJRSZDMK-WDEREUQCSA-N 2 1 253.346 -0.295 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923298853 658199635 /nfs/dbraw/zinc/19/96/35/658199635.db2.gz GGJWKRYPOPFYHJ-STQMWFEESA-N 2 1 261.410 -0.112 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923313212 658202534 /nfs/dbraw/zinc/20/25/34/658202534.db2.gz PXAZERLXYYUJCI-VXGBXAGGSA-N 2 1 267.373 -0.177 20 0 CBADMP CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923311496 658205920 /nfs/dbraw/zinc/20/59/20/658205920.db2.gz NXKLZUOVHKQVOQ-RYUDHWBXSA-N 2 1 267.373 -0.179 20 0 CBADMP CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923311496 658205942 /nfs/dbraw/zinc/20/59/42/658205942.db2.gz NXKLZUOVHKQVOQ-RYUDHWBXSA-N 2 1 267.373 -0.179 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(CN3CCOCC3)CC2)C1 ZINC000923322175 658207413 /nfs/dbraw/zinc/20/74/13/658207413.db2.gz TUQNHIFFLFTYRU-KKUMJFAQSA-N 2 1 283.416 -0.119 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000923329691 658216010 /nfs/dbraw/zinc/21/60/10/658216010.db2.gz XIEOLCCIOBMCKA-HZSPNIEDSA-N 2 1 299.415 -0.426 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000923328745 658217408 /nfs/dbraw/zinc/21/74/08/658217408.db2.gz CETSYZCBGMKNCA-UONOGXRCSA-N 2 1 271.405 -0.248 20 0 CBADMP Cc1ccccc1OC[C@H](O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000923365278 658231990 /nfs/dbraw/zinc/23/19/90/658231990.db2.gz DTIYGBKOYVZSBU-CHWSQXEVSA-N 2 1 268.357 -0.014 20 0 CBADMP Cc1ccccc1OC[C@H](O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000923365278 658232016 /nfs/dbraw/zinc/23/20/16/658232016.db2.gz DTIYGBKOYVZSBU-CHWSQXEVSA-N 2 1 268.357 -0.014 20 0 CBADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923367635 658233038 /nfs/dbraw/zinc/23/30/38/658233038.db2.gz VUPYBLJLIJMZHC-KGLIPLIRSA-N 2 1 271.405 -0.247 20 0 CBADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923366871 658234651 /nfs/dbraw/zinc/23/46/51/658234651.db2.gz PNTLBARECPOOHL-HUUCEWRRSA-N 2 1 285.432 -0.001 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000923371054 658240311 /nfs/dbraw/zinc/24/03/11/658240311.db2.gz UTIJOLBFRUALEO-CHWSQXEVSA-N 2 1 273.421 -0.097 20 0 CBADMP O[C@@H]1C[C@H]2CN(C[C@@H]3CC4(C[NH2+]C4)CO3)CC[N@H+]2C1 ZINC000923390727 658248476 /nfs/dbraw/zinc/24/84/76/658248476.db2.gz VMBHHPBKDNCHCD-XQQFMLRXSA-N 2 1 267.373 -0.884 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923398059 658253375 /nfs/dbraw/zinc/25/33/75/658253375.db2.gz JQBKGNZWGCESKQ-HZSPNIEDSA-N 2 1 271.405 -0.261 20 0 CBADMP CS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923392685 658253997 /nfs/dbraw/zinc/25/39/97/658253997.db2.gz ZICZTNNOWIJQRK-VXGBXAGGSA-N 2 1 288.413 -0.126 20 0 CBADMP CS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923392685 658254022 /nfs/dbraw/zinc/25/40/22/658254022.db2.gz ZICZTNNOWIJQRK-VXGBXAGGSA-N 2 1 288.413 -0.126 20 0 CBADMP c1cnc(N2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)nn1 ZINC000923398574 658254075 /nfs/dbraw/zinc/25/40/75/658254075.db2.gz LQBAZLQUBFLMIV-LBPRGKRZSA-N 2 1 290.371 -0.628 20 0 CBADMP O=C1OCCN1[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923392401 658254164 /nfs/dbraw/zinc/25/41/64/658254164.db2.gz RIPIOIYHROMDIA-NEPJUHHUSA-N 2 1 281.356 -0.109 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H](CN3CCCC3=O)C2)C1 ZINC000923396172 658255239 /nfs/dbraw/zinc/25/52/39/658255239.db2.gz VSCCWHRVVNAGJN-CYDGBPFRSA-N 2 1 267.373 -0.219 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923402657 658261286 /nfs/dbraw/zinc/26/12/86/658261286.db2.gz JRLJYNIYEAPFMW-GFCCVEGCSA-N 3 1 257.378 -0.467 20 0 CBADMP C[C@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)C[C@H]1C[NH3+] ZINC000923411139 658263634 /nfs/dbraw/zinc/26/36/34/658263634.db2.gz LQHQVKUHPUDZNY-VHSXEESVSA-N 2 1 254.334 -0.593 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000923408282 658265030 /nfs/dbraw/zinc/26/50/30/658265030.db2.gz FSJNDBJBWUGYEV-KGLIPLIRSA-N 2 1 271.405 -0.247 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413860 658271223 /nfs/dbraw/zinc/27/12/23/658271223.db2.gz JBWFIVRWCSVRIR-DBIOUOCHSA-N 2 1 255.318 -0.766 20 0 CBADMP CCCCNC(=O)NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923463369 658292287 /nfs/dbraw/zinc/29/22/87/658292287.db2.gz FYUDIOWDUGBQST-UHFFFAOYSA-N 2 1 285.392 -0.893 20 0 CBADMP CCOCCCNC(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465393 658295055 /nfs/dbraw/zinc/29/50/55/658295055.db2.gz ZLONSKFJKCABGQ-CYBMUJFWSA-N 2 1 286.420 -0.588 20 0 CBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NC(=O)NC1CCCC1 ZINC000923465675 658296398 /nfs/dbraw/zinc/29/63/98/658296398.db2.gz BWDMRWKGTQDTTI-UHFFFAOYSA-N 2 1 297.403 -0.750 20 0 CBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NC1CCCCC1 ZINC000923465612 658297159 /nfs/dbraw/zinc/29/71/59/658297159.db2.gz JJCZFYDYJQOHFA-UHFFFAOYSA-N 2 1 268.405 -0.070 20 0 CBADMP CCCCNC(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465162 658299113 /nfs/dbraw/zinc/29/91/13/658299113.db2.gz VUNXATDMQPKIQF-GFCCVEGCSA-N 2 1 256.394 -0.214 20 0 CBADMP C[C@H]1C[N@H+](CCN2CCC[C@@]([NH3+])(CO)C2)CCO1 ZINC000923475175 658300601 /nfs/dbraw/zinc/30/06/01/658300601.db2.gz OCYANURGIUQDIU-STQMWFEESA-N 2 1 257.378 -0.507 20 0 CBADMP C[C@H]1C[N@@H+](CCN2CCC[C@@]([NH3+])(CO)C2)CCO1 ZINC000923475175 658300609 /nfs/dbraw/zinc/30/06/09/658300609.db2.gz OCYANURGIUQDIU-STQMWFEESA-N 2 1 257.378 -0.507 20 0 CBADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503970 658309539 /nfs/dbraw/zinc/30/95/39/658309539.db2.gz MYENMLZMRLGOGK-ZJUUUORDSA-N 2 1 256.350 -0.251 20 0 CBADMP C[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@@H]1C[NH3+] ZINC000923502520 658309366 /nfs/dbraw/zinc/30/93/66/658309366.db2.gz ZLMRMCGPMVQABG-GHMZBOCLSA-N 2 1 280.372 -0.499 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CCNCC2)CC[C@@H]1C[NH3+] ZINC000923502870 658309916 /nfs/dbraw/zinc/30/99/16/658309916.db2.gz ZOANEKYRSMJFNA-QWHCGFSZSA-N 2 1 268.405 -0.275 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923502870 658309890 /nfs/dbraw/zinc/30/98/90/658309890.db2.gz ZOANEKYRSMJFNA-QWHCGFSZSA-N 3 1 268.405 -0.275 20 0 CBADMP C[C@H]1C[N@H+](CCC(=O)N2CCNCC2)CC[C@@H]1C[NH3+] ZINC000923502870 658309901 /nfs/dbraw/zinc/30/99/01/658309901.db2.gz ZOANEKYRSMJFNA-QWHCGFSZSA-N 2 1 268.405 -0.275 20 0 CBADMP C[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@@H]1C[NH3+] ZINC000923502523 658310202 /nfs/dbraw/zinc/31/02/02/658310202.db2.gz ZLMRMCGPMVQABG-WDEREUQCSA-N 2 1 280.372 -0.499 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923510158 658310326 /nfs/dbraw/zinc/31/03/26/658310326.db2.gz PHHNFWDTROSXPB-NXEZZACHSA-N 2 1 257.334 -0.713 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923510158 658310342 /nfs/dbraw/zinc/31/03/42/658310342.db2.gz PHHNFWDTROSXPB-NXEZZACHSA-N 2 1 257.334 -0.713 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501033 658312315 /nfs/dbraw/zinc/31/23/15/658312315.db2.gz YSTCQFISKABHRX-MNOVXSKESA-N 2 1 263.407 -0.158 20 0 CBADMP C[C@H](CNS(=O)(=O)C1C[NH2+]C1)[N@H+]1CCC[C@H](C)C1 ZINC000923589855 658341061 /nfs/dbraw/zinc/34/10/61/658341061.db2.gz MTCXKONPWYDWTQ-WDEREUQCSA-N 2 1 275.418 -0.002 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923588970 658341584 /nfs/dbraw/zinc/34/15/84/658341584.db2.gz MQIMLBOSBKQVKK-LBPRGKRZSA-N 2 1 290.433 -0.542 20 0 CBADMP O=S(=O)(N1CC[NH2+]CC1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923668883 658390780 /nfs/dbraw/zinc/39/07/80/658390780.db2.gz OKJNBOQYHYIQKA-NWDGAFQWSA-N 2 1 288.417 -0.790 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000957331948 658476589 /nfs/dbraw/zinc/47/65/89/658476589.db2.gz CRBNVEOGZDZMIW-CYBMUJFWSA-N 2 1 269.389 -0.145 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000957331948 658476594 /nfs/dbraw/zinc/47/65/94/658476594.db2.gz CRBNVEOGZDZMIW-CYBMUJFWSA-N 2 1 269.389 -0.145 20 0 CBADMP C[NH+](C)C[C@@H]1NC(=O)N([C@H]2CC[N@@H+](CC3CC3)C2)C1=O ZINC000924592506 658619100 /nfs/dbraw/zinc/61/91/00/658619100.db2.gz RSCHYGDMOZDKED-RYUDHWBXSA-N 2 1 280.372 -0.047 20 0 CBADMP C[C@@H]1COC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000924945633 658668764 /nfs/dbraw/zinc/66/87/64/658668764.db2.gz JEKFRPYDKKLGSF-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2C)cn1 ZINC000924981396 658692482 /nfs/dbraw/zinc/69/24/82/658692482.db2.gz NCZJAKMQTDNLQB-UONOGXRCSA-N 2 1 292.383 -0.062 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC000959918950 658753168 /nfs/dbraw/zinc/75/31/68/658753168.db2.gz HCWMIRFNRHFFLA-MQYQWHSLSA-N 2 1 279.384 -0.633 20 0 CBADMP 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 658769726 /nfs/dbraw/zinc/76/97/26/658769726.db2.gz IRMQSBNHFZKLDP-KVSVUVNWSA-N 2 1 267.373 -0.635 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CC[NH+]1C ZINC000959965177 658769905 /nfs/dbraw/zinc/76/99/05/658769905.db2.gz IRMQSBNHFZKLDP-KVSVUVNWSA-N 2 1 267.373 -0.635 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CC[NH+]1C ZINC000959965177 658770013 /nfs/dbraw/zinc/77/00/13/658770013.db2.gz IRMQSBNHFZKLDP-KVSVUVNWSA-N 2 1 267.373 -0.635 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000925331429 658828028 /nfs/dbraw/zinc/82/80/28/658828028.db2.gz JNYFYEIYXHHBIL-RYUDHWBXSA-N 2 1 272.393 -0.308 20 0 CBADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925331429 658828033 /nfs/dbraw/zinc/82/80/33/658828033.db2.gz JNYFYEIYXHHBIL-RYUDHWBXSA-N 2 1 272.393 -0.308 20 0 CBADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000925331429 658828036 /nfs/dbraw/zinc/82/80/36/658828036.db2.gz JNYFYEIYXHHBIL-RYUDHWBXSA-N 2 1 272.393 -0.308 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000961768532 658833784 /nfs/dbraw/zinc/83/37/84/658833784.db2.gz BXSVBKPMYRDOLG-CIQGVGRVSA-N 2 1 267.373 -0.491 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000961768532 658833785 /nfs/dbraw/zinc/83/37/85/658833785.db2.gz BXSVBKPMYRDOLG-CIQGVGRVSA-N 2 1 267.373 -0.491 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000961768532 658833787 /nfs/dbraw/zinc/83/37/87/658833787.db2.gz BXSVBKPMYRDOLG-CIQGVGRVSA-N 2 1 267.373 -0.491 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925410792 658839255 /nfs/dbraw/zinc/83/92/55/658839255.db2.gz UJFGZDGYYLHEQA-CMPLNLGQSA-N 2 1 258.366 -0.698 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CC[N@H+]1C ZINC000925410794 658840211 /nfs/dbraw/zinc/84/02/11/658840211.db2.gz UJFGZDGYYLHEQA-PWSUYJOCSA-N 2 1 258.366 -0.698 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962299092 658850540 /nfs/dbraw/zinc/85/05/40/658850540.db2.gz RAMPTKGVIGBCOL-WYUUTHIRSA-N 2 1 292.383 -0.998 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962299092 658850542 /nfs/dbraw/zinc/85/05/42/658850542.db2.gz RAMPTKGVIGBCOL-WYUUTHIRSA-N 2 1 292.383 -0.998 20 0 CBADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925433823 658853607 /nfs/dbraw/zinc/85/36/07/658853607.db2.gz XMOZAUYMGNZQSK-RYUDHWBXSA-N 2 1 297.403 -0.548 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925496662 658856860 /nfs/dbraw/zinc/85/68/60/658856860.db2.gz RTRKHFBGHYSCHF-QWHCGFSZSA-N 2 1 284.404 -0.848 20 0 CBADMP CN1CCC([N@@H+]2CC[C@H](N[C@H]3C[NH2+]CCOC3)C2)CC1 ZINC000925482154 658856961 /nfs/dbraw/zinc/85/69/61/658856961.db2.gz LWMQVUXTVAVUJW-KBPBESRZSA-N 2 1 282.432 -0.267 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](N[C@H]3C[NH2+]CCOC3)C2)CC1 ZINC000925482154 658856964 /nfs/dbraw/zinc/85/69/64/658856964.db2.gz LWMQVUXTVAVUJW-KBPBESRZSA-N 2 1 282.432 -0.267 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925496660 658856989 /nfs/dbraw/zinc/85/69/89/658856989.db2.gz RTRKHFBGHYSCHF-CHWSQXEVSA-N 2 1 284.404 -0.848 20 0 CBADMP C[C@H](CN[C@@H]1C[NH2+]CCOC1)C[NH+]1CCOCC1 ZINC000925508974 658857051 /nfs/dbraw/zinc/85/70/51/658857051.db2.gz KSJRMZPAPFLMEP-CHWSQXEVSA-N 2 1 257.378 -0.467 20 0 CBADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000925541616 658858005 /nfs/dbraw/zinc/85/80/05/658858005.db2.gz COQZAYGHIIBZEE-GHMZBOCLSA-N 2 1 255.362 -0.001 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCN[C@@H]1C[NH2+]CCOC1 ZINC000925554956 658859826 /nfs/dbraw/zinc/85/98/26/658859826.db2.gz BXAPLIDFFCMYKN-KGLIPLIRSA-N 2 1 298.431 -0.493 20 0 CBADMP OCC[N@H+]1CCCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925681162 658865482 /nfs/dbraw/zinc/86/54/82/658865482.db2.gz SYRBXSNTMJYPLM-OLZOCXBDSA-N 2 1 257.378 -0.589 20 0 CBADMP C(CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)CN1CC[NH2+]CC1 ZINC000925689684 658866087 /nfs/dbraw/zinc/86/60/87/658866087.db2.gz HWXWQWVDTNDPGU-LXFSFDBISA-N 2 1 264.417 -0.132 20 0 CBADMP COCC1(CN[C@H]2C[NH2+]CCOC2)CC[NH2+]CC1 ZINC000925701040 658867158 /nfs/dbraw/zinc/86/71/58/658867158.db2.gz UVHXHWLVWMRHKK-LBPRGKRZSA-N 2 1 257.378 -0.419 20 0 CBADMP C([NH2+][C@@H]1CNCCOC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000925732516 658868953 /nfs/dbraw/zinc/86/89/53/658868953.db2.gz YKFDMRKEGDBIGD-OLZOCXBDSA-N 2 1 269.389 -0.277 20 0 CBADMP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925725515 658869134 /nfs/dbraw/zinc/86/91/34/658869134.db2.gz LMOVHQSQFVNTAA-UKKRHICBSA-N 2 1 283.372 -0.088 20 0 CBADMP C[C@@H](CC(N)=O)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925793474 658872996 /nfs/dbraw/zinc/87/29/96/658872996.db2.gz IKGSYLATZGOXQU-WDEREUQCSA-N 2 1 255.362 -0.001 20 0 CBADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926334928 658892756 /nfs/dbraw/zinc/89/27/56/658892756.db2.gz WEFBZEFOFDBLNP-CHWSQXEVSA-N 2 1 296.415 -0.406 20 0 CBADMP 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 658895673 /nfs/dbraw/zinc/89/56/73/658895673.db2.gz PSNCRSNCFRDBQO-YVECIDJPSA-N 2 1 296.415 -0.267 20 0 CBADMP 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 658898919 /nfs/dbraw/zinc/89/89/19/658898919.db2.gz MRJISWLZUSOCMM-XQHKEYJVSA-N 2 1 294.399 -0.655 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1(C)C ZINC000926394690 658899085 /nfs/dbraw/zinc/89/90/85/658899085.db2.gz IJKSXKGPBVGXQX-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1(C)C ZINC000926394690 658899087 /nfs/dbraw/zinc/89/90/87/658899087.db2.gz IJKSXKGPBVGXQX-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[C@H](C)[N@H+]1C ZINC000926412568 658899234 /nfs/dbraw/zinc/89/92/34/658899234.db2.gz IAKLHNAINUJUHP-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000926412568 658899236 /nfs/dbraw/zinc/89/92/36/658899236.db2.gz IAKLHNAINUJUHP-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000926413368 658899519 /nfs/dbraw/zinc/89/95/19/658899519.db2.gz NXQINGIOVAKFNC-ZDUSSCGKSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000926443545 658900876 /nfs/dbraw/zinc/90/08/76/658900876.db2.gz OEQGBGOLWBHIRT-OLZOCXBDSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000926443545 658900880 /nfs/dbraw/zinc/90/08/80/658900880.db2.gz OEQGBGOLWBHIRT-OLZOCXBDSA-N 2 1 298.431 -0.019 20 0 CBADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)Cn1ccnn1 ZINC000926572405 658904803 /nfs/dbraw/zinc/90/48/03/658904803.db2.gz HRIZYCPLBXOUPO-FXJUQPSGSA-N 2 1 265.361 -0.431 20 0 CBADMP C[C@@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)CN1CCCC1 ZINC000968652139 658937722 /nfs/dbraw/zinc/93/77/22/658937722.db2.gz PIBBTNZJPHCRGG-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968652139 658937735 /nfs/dbraw/zinc/93/77/35/658937735.db2.gz PIBBTNZJPHCRGG-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000969956492 659025608 /nfs/dbraw/zinc/02/56/08/659025608.db2.gz XDYBAMQRSBJMQL-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969948340 659025910 /nfs/dbraw/zinc/02/59/10/659025910.db2.gz KAPOTSCCTSQRFI-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)C(N)=O ZINC000969964585 659027741 /nfs/dbraw/zinc/02/77/41/659027741.db2.gz GLDUHHDBPRNEJY-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928559533 659041612 /nfs/dbraw/zinc/04/16/12/659041612.db2.gz ZLKKVGGVMKSWBY-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2C)CC1=O ZINC000928562305 659044504 /nfs/dbraw/zinc/04/45/04/659044504.db2.gz HVEVKEGJGRIUNB-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CC[NH+]1CCN(CCC(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000928563871 659044742 /nfs/dbraw/zinc/04/47/42/659044742.db2.gz OMSBMIPQHJJWPU-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000928571554 659048095 /nfs/dbraw/zinc/04/80/95/659048095.db2.gz OXEKVFNJOJZIOV-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000928571554 659048102 /nfs/dbraw/zinc/04/81/02/659048102.db2.gz OXEKVFNJOJZIOV-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000928571554 659048115 /nfs/dbraw/zinc/04/81/15/659048115.db2.gz OXEKVFNJOJZIOV-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC000970724626 659070033 /nfs/dbraw/zinc/07/00/33/659070033.db2.gz SLSPGTLJTLTUKP-GXSJLCMTSA-N 2 1 279.344 -0.744 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCCO)C1 ZINC000970879110 659074484 /nfs/dbraw/zinc/07/44/84/659074484.db2.gz RQQVOBRXLXOSHF-VXGBXAGGSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000971673548 659095959 /nfs/dbraw/zinc/09/59/59/659095959.db2.gz HHJMSWVMBIXQAN-NEPJUHHUSA-N 2 1 296.415 -0.123 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000929287925 659113108 /nfs/dbraw/zinc/11/31/08/659113108.db2.gz QFFZNVCLQZOBJE-ZDUSSCGKSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000929287925 659113109 /nfs/dbraw/zinc/11/31/09/659113109.db2.gz QFFZNVCLQZOBJE-ZDUSSCGKSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH+](C)CCO)C2)C1 ZINC000972335083 659117402 /nfs/dbraw/zinc/11/74/02/659117402.db2.gz MTOAIEXQHGJUBR-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]([N@H+](C)CCO)C2)C1 ZINC000972335083 659117405 /nfs/dbraw/zinc/11/74/05/659117405.db2.gz MTOAIEXQHGJUBR-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]([N@@H+](C)CCO)C2)C1 ZINC000972335083 659117411 /nfs/dbraw/zinc/11/74/11/659117411.db2.gz MTOAIEXQHGJUBR-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929428050 659123251 /nfs/dbraw/zinc/12/32/51/659123251.db2.gz PNRWLRBTPOKIII-RBSFLKMASA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972735223 659126317 /nfs/dbraw/zinc/12/63/17/659126317.db2.gz KHZUSSQNFVDYGI-CHWSQXEVSA-N 2 1 281.400 -0.004 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000929651161 659156244 /nfs/dbraw/zinc/15/62/44/659156244.db2.gz DWQNDJGEHHODKE-ZDUSSCGKSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000929651161 659156247 /nfs/dbraw/zinc/15/62/47/659156247.db2.gz DWQNDJGEHHODKE-ZDUSSCGKSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](O)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C[C@H](C)O ZINC000929706833 659163054 /nfs/dbraw/zinc/16/30/54/659163054.db2.gz SPDHNXVYSWKHNO-SDDRHHMPSA-N 2 1 275.393 -0.884 20 0 CBADMP C[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C[C@H](C)O ZINC000929706833 659163059 /nfs/dbraw/zinc/16/30/59/659163059.db2.gz SPDHNXVYSWKHNO-SDDRHHMPSA-N 2 1 275.393 -0.884 20 0 CBADMP C[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C[C@H](C)O ZINC000929706833 659163060 /nfs/dbraw/zinc/16/30/60/659163060.db2.gz SPDHNXVYSWKHNO-SDDRHHMPSA-N 2 1 275.393 -0.884 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000929751720 659166592 /nfs/dbraw/zinc/16/65/92/659166592.db2.gz QUWBWGPHDFKVRM-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000929751720 659166593 /nfs/dbraw/zinc/16/65/93/659166593.db2.gz QUWBWGPHDFKVRM-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](O)CO)C1 ZINC000929769869 659170140 /nfs/dbraw/zinc/17/01/40/659170140.db2.gz BPWDGWDJDBDMHB-CHWSQXEVSA-N 2 1 260.378 -0.228 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@](C)(O)C1)[NH+]1CC[C@@](C)(O)C1 ZINC000929790265 659171357 /nfs/dbraw/zinc/17/13/57/659171357.db2.gz WJCYNGQBGMRUFO-VHDGCEQUSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@](C)(O)C1)[NH+]1CC[C@@](C)(O)C1 ZINC000929790265 659171364 /nfs/dbraw/zinc/17/13/64/659171364.db2.gz WJCYNGQBGMRUFO-VHDGCEQUSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@](C)(O)C1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000929790265 659171368 /nfs/dbraw/zinc/17/13/68/659171368.db2.gz WJCYNGQBGMRUFO-VHDGCEQUSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@](C)(O)C1)[N@H+]1CC[C@@](C)(O)C1 ZINC000929790265 659171373 /nfs/dbraw/zinc/17/13/73/659171373.db2.gz WJCYNGQBGMRUFO-VHDGCEQUSA-N 2 1 299.415 -0.596 20 0 CBADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000929929752 659185170 /nfs/dbraw/zinc/18/51/70/659185170.db2.gz QZSDZEYLIFEDCJ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000929929752 659185173 /nfs/dbraw/zinc/18/51/73/659185173.db2.gz QZSDZEYLIFEDCJ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000929929752 659185177 /nfs/dbraw/zinc/18/51/77/659185177.db2.gz QZSDZEYLIFEDCJ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000929929752 659185178 /nfs/dbraw/zinc/18/51/78/659185178.db2.gz QZSDZEYLIFEDCJ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H](O)CO ZINC000930059289 659201143 /nfs/dbraw/zinc/20/11/43/659201143.db2.gz CLHGNRTZPAETPE-FDYHWXHSSA-N 2 1 258.362 -0.477 20 0 CBADMP C[C@@H](O)[C@@H](O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000930113124 659210367 /nfs/dbraw/zinc/21/03/67/659210367.db2.gz CNIJVIFUTJCZCA-OCCSQVGLSA-N 2 1 273.421 -0.314 20 0 CBADMP C[C@@H](CNC(=O)CN1C[C@@H](C)[C@H](O)C1)[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000930161277 659227613 /nfs/dbraw/zinc/22/76/13/659227613.db2.gz IJBYSFFTWKVEAK-HTOAHKCRSA-N 2 1 299.415 -0.884 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](O)C1)[NH+]1C[C@H](O)[C@@H](C)C1 ZINC000930161277 659227640 /nfs/dbraw/zinc/22/76/40/659227640.db2.gz IJBYSFFTWKVEAK-HTOAHKCRSA-N 2 1 299.415 -0.884 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1C[C@@H](C)[C@H](O)C1)[NH+]1C[C@H](O)[C@@H](C)C1 ZINC000930161277 659227660 /nfs/dbraw/zinc/22/76/60/659227660.db2.gz IJBYSFFTWKVEAK-HTOAHKCRSA-N 2 1 299.415 -0.884 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1C[C@@H](C)[C@H](O)C1)[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000930161277 659227674 /nfs/dbraw/zinc/22/76/74/659227674.db2.gz IJBYSFFTWKVEAK-HTOAHKCRSA-N 2 1 299.415 -0.884 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1C[C@@H](C)[C@H](O)C1)[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000930161277 659227687 /nfs/dbraw/zinc/22/76/87/659227687.db2.gz IJBYSFFTWKVEAK-HTOAHKCRSA-N 2 1 299.415 -0.884 20 0 CBADMP O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000978989517 659235143 /nfs/dbraw/zinc/23/51/43/659235143.db2.gz VJOXLAOBJOZGMG-XYYAHUGASA-N 2 1 279.384 -0.632 20 0 CBADMP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)[C@@H](C)O)CC1 ZINC000930296195 659251473 /nfs/dbraw/zinc/25/14/73/659251473.db2.gz MUXHABUBMKJOFX-YPMHNXCESA-N 2 1 281.356 -0.046 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000980412469 659271693 /nfs/dbraw/zinc/27/16/93/659271693.db2.gz KGYZJLTYWFCTKG-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)C[N@@H+]1C1CC1 ZINC000930480145 659295881 /nfs/dbraw/zinc/29/58/81/659295881.db2.gz PNPYMCCNFKHSKN-NQBHXWOUSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)C[N@H+]1C1CC1 ZINC000930480145 659295898 /nfs/dbraw/zinc/29/58/98/659295898.db2.gz PNPYMCCNFKHSKN-NQBHXWOUSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C[NH+]1C1CC1 ZINC000930480145 659295909 /nfs/dbraw/zinc/29/59/09/659295909.db2.gz PNPYMCCNFKHSKN-NQBHXWOUSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)C[NH+]1C1CC1 ZINC000930480145 659295923 /nfs/dbraw/zinc/29/59/23/659295923.db2.gz PNPYMCCNFKHSKN-NQBHXWOUSA-N 2 1 294.399 -0.452 20 0 CBADMP CON1CC[C@H]([N@@H+](C)CCCN(C)CC[NH+](C)C)C1=O ZINC000930503421 659300002 /nfs/dbraw/zinc/30/00/02/659300002.db2.gz RLZQHCMDLVCVQP-ZDUSSCGKSA-N 2 1 286.420 -0.036 20 0 CBADMP CON1CC[C@@H]([N@@H+](C)CCCN(C)CC[NH+](C)C)C1=O ZINC000930503420 659300664 /nfs/dbraw/zinc/30/06/64/659300664.db2.gz RLZQHCMDLVCVQP-CYBMUJFWSA-N 2 1 286.420 -0.036 20 0 CBADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[N@H+](CCO)CC1 ZINC000981169501 659309731 /nfs/dbraw/zinc/30/97/31/659309731.db2.gz ZTEHYAMDGJINLL-AWEZNQCLSA-N 2 1 281.400 -0.145 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000981229190 659310945 /nfs/dbraw/zinc/31/09/45/659310945.db2.gz TWHWLLPVJUAAEU-RYUDHWBXSA-N 2 1 293.371 -0.306 20 0 CBADMP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)C[C@H](C)[N@@H+]1CCO ZINC000930645647 659314915 /nfs/dbraw/zinc/31/49/15/659314915.db2.gz ZNYNQLQDEYKFTJ-ZNMIVQPWSA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000930675399 659321260 /nfs/dbraw/zinc/32/12/60/659321260.db2.gz OPEIOGVWVBGXMD-KGLIPLIRSA-N 2 1 271.405 -0.559 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C[C@H](O)C[NH+]1CCCC1 ZINC000930744350 659333749 /nfs/dbraw/zinc/33/37/49/659333749.db2.gz VQLNOQCPMNOYIQ-RBSFLKMASA-N 2 1 285.432 -0.170 20 0 CBADMP O=C(N1CC2(C1)CCC[N@H+](CCO)C2)C12CC[NH+](CC1)C2 ZINC000982120481 659340781 /nfs/dbraw/zinc/34/07/81/659340781.db2.gz XUFSWXROFFTROI-UHFFFAOYSA-N 2 1 293.411 -0.001 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CCC[N@@H+](CCO)CC1 ZINC000982215292 659344346 /nfs/dbraw/zinc/34/43/46/659344346.db2.gz XIQXCCCEMZBCLO-UHFFFAOYSA-N 2 1 285.388 -0.765 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CCC[N@H+](CCO)CC1 ZINC000982215292 659344352 /nfs/dbraw/zinc/34/43/52/659344352.db2.gz XIQXCCCEMZBCLO-UHFFFAOYSA-N 2 1 285.388 -0.765 20 0 CBADMP C[C@H](O)[C@H](O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823715 659345143 /nfs/dbraw/zinc/34/51/43/659345143.db2.gz TUPNFTMVZZQTMC-NWDGAFQWSA-N 2 1 258.362 -0.475 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC000985120642 659373830 /nfs/dbraw/zinc/37/38/30/659373830.db2.gz WOBYIJTWFKLVPW-FDYHWXHSSA-N 2 1 294.399 -0.689 20 0 CBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931018263 659374118 /nfs/dbraw/zinc/37/41/18/659374118.db2.gz LRIZUWGQCREIKU-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931018263 659374123 /nfs/dbraw/zinc/37/41/23/659374123.db2.gz LRIZUWGQCREIKU-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931018263 659374129 /nfs/dbraw/zinc/37/41/29/659374129.db2.gz LRIZUWGQCREIKU-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931018263 659374135 /nfs/dbraw/zinc/37/41/35/659374135.db2.gz LRIZUWGQCREIKU-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931018261 659374362 /nfs/dbraw/zinc/37/43/62/659374362.db2.gz LRIZUWGQCREIKU-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931018261 659374366 /nfs/dbraw/zinc/37/43/66/659374366.db2.gz LRIZUWGQCREIKU-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931018261 659374372 /nfs/dbraw/zinc/37/43/72/659374372.db2.gz LRIZUWGQCREIKU-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931018261 659374377 /nfs/dbraw/zinc/37/43/77/659374377.db2.gz LRIZUWGQCREIKU-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000931874623 659533078 /nfs/dbraw/zinc/53/30/78/659533078.db2.gz JGVGGMDAQURHGG-STQMWFEESA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000931874623 659533081 /nfs/dbraw/zinc/53/30/81/659533081.db2.gz JGVGGMDAQURHGG-STQMWFEESA-N 2 1 294.399 -0.497 20 0 CBADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931876634 659539311 /nfs/dbraw/zinc/53/93/11/659539311.db2.gz MURWJXVDTIHECQ-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931876634 659539316 /nfs/dbraw/zinc/53/93/16/659539316.db2.gz MURWJXVDTIHECQ-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931876634 659539321 /nfs/dbraw/zinc/53/93/21/659539321.db2.gz MURWJXVDTIHECQ-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931876634 659539325 /nfs/dbraw/zinc/53/93/25/659539325.db2.gz MURWJXVDTIHECQ-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931880180 659541259 /nfs/dbraw/zinc/54/12/59/659541259.db2.gz VVGPZRVPZKKNKL-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931880180 659541263 /nfs/dbraw/zinc/54/12/63/659541263.db2.gz VVGPZRVPZKKNKL-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931881218 659542299 /nfs/dbraw/zinc/54/22/99/659542299.db2.gz BIFPAYVMLWVVOM-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931881218 659542304 /nfs/dbraw/zinc/54/23/04/659542304.db2.gz BIFPAYVMLWVVOM-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931882198 659545340 /nfs/dbraw/zinc/54/53/40/659545340.db2.gz KBSQPVJAVRWUQJ-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931882198 659545357 /nfs/dbraw/zinc/54/53/57/659545357.db2.gz KBSQPVJAVRWUQJ-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931882059 659546127 /nfs/dbraw/zinc/54/61/27/659546127.db2.gz ZEDWCJXHCRNDKM-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931882059 659546136 /nfs/dbraw/zinc/54/61/36/659546136.db2.gz ZEDWCJXHCRNDKM-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931882059 659546152 /nfs/dbraw/zinc/54/61/52/659546152.db2.gz ZEDWCJXHCRNDKM-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931882059 659546162 /nfs/dbraw/zinc/54/61/62/659546162.db2.gz ZEDWCJXHCRNDKM-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000931886523 659553919 /nfs/dbraw/zinc/55/39/19/659553919.db2.gz OYSCWBOCFOBGGT-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000931886523 659553922 /nfs/dbraw/zinc/55/39/22/659553922.db2.gz OYSCWBOCFOBGGT-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000931886523 659553935 /nfs/dbraw/zinc/55/39/35/659553935.db2.gz OYSCWBOCFOBGGT-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000931886523 659553946 /nfs/dbraw/zinc/55/39/46/659553946.db2.gz OYSCWBOCFOBGGT-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000931888813 659554626 /nfs/dbraw/zinc/55/46/26/659554626.db2.gz SOSUDYJKNHGQQT-XQQFMLRXSA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000931888813 659554630 /nfs/dbraw/zinc/55/46/30/659554630.db2.gz SOSUDYJKNHGQQT-XQQFMLRXSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931888813 659554637 /nfs/dbraw/zinc/55/46/37/659554637.db2.gz SOSUDYJKNHGQQT-XQQFMLRXSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931888813 659554646 /nfs/dbraw/zinc/55/46/46/659554646.db2.gz SOSUDYJKNHGQQT-XQQFMLRXSA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000931888812 659555770 /nfs/dbraw/zinc/55/57/70/659555770.db2.gz SOSUDYJKNHGQQT-UPJWGTAASA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000931888812 659555774 /nfs/dbraw/zinc/55/57/74/659555774.db2.gz SOSUDYJKNHGQQT-UPJWGTAASA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931888812 659555777 /nfs/dbraw/zinc/55/57/77/659555777.db2.gz SOSUDYJKNHGQQT-UPJWGTAASA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000931888812 659555785 /nfs/dbraw/zinc/55/57/85/659555785.db2.gz SOSUDYJKNHGQQT-UPJWGTAASA-N 2 1 294.399 -0.641 20 0 CBADMP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931889464 659558004 /nfs/dbraw/zinc/55/80/04/659558004.db2.gz IPALRAPHBWOINT-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931889464 659558014 /nfs/dbraw/zinc/55/80/14/659558014.db2.gz IPALRAPHBWOINT-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000931889002 659558161 /nfs/dbraw/zinc/55/81/61/659558161.db2.gz AWENXCGMFGPKRJ-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000931889002 659558173 /nfs/dbraw/zinc/55/81/73/659558173.db2.gz AWENXCGMFGPKRJ-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000931889002 659558179 /nfs/dbraw/zinc/55/81/79/659558179.db2.gz AWENXCGMFGPKRJ-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000931889002 659558187 /nfs/dbraw/zinc/55/81/87/659558187.db2.gz AWENXCGMFGPKRJ-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988968289 659565445 /nfs/dbraw/zinc/56/54/45/659565445.db2.gz RRKZAQDWBWXVCD-WDEREUQCSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000989449904 659588602 /nfs/dbraw/zinc/58/86/02/659588602.db2.gz LBIUKKFMKVOCRY-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+](CCC(N)=O)CC(=O)NC1CC[NH+](C)CC1 ZINC000932477936 659604206 /nfs/dbraw/zinc/60/42/06/659604206.db2.gz PWRPYQXWOWUMNG-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932949168 659644712 /nfs/dbraw/zinc/64/47/12/659644712.db2.gz VQAOUQLZNXZVLN-NSHDSACASA-N 2 1 272.374 -0.198 20 0 CBADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932949168 659644721 /nfs/dbraw/zinc/64/47/21/659644721.db2.gz VQAOUQLZNXZVLN-NSHDSACASA-N 2 1 272.374 -0.198 20 0 CBADMP CC[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC000990278434 659711687 /nfs/dbraw/zinc/71/16/87/659711687.db2.gz SFKBNHMEISGYNF-CHWSQXEVSA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2C2OCCO2)CC1 ZINC000933899835 659748632 /nfs/dbraw/zinc/74/86/32/659748632.db2.gz RABJYKOBIPBXRN-ZDUSSCGKSA-N 2 1 297.399 -0.012 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2C2OCCO2)CC1 ZINC000933899835 659748636 /nfs/dbraw/zinc/74/86/36/659748636.db2.gz RABJYKOBIPBXRN-ZDUSSCGKSA-N 2 1 297.399 -0.012 20 0 CBADMP CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1)[NH+](C)C ZINC000990507896 659753254 /nfs/dbraw/zinc/75/32/54/659753254.db2.gz IHYYEFNULGQBOO-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CC[C@@H]2[C@H]1CCC[NH+]2CCO)C1CC1 ZINC000934270745 659799540 /nfs/dbraw/zinc/79/95/40/659799540.db2.gz YCEAUCWLESNTIC-ARFHVFGLSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+](C[C@H](O)CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)C1CC1 ZINC000934270745 659799543 /nfs/dbraw/zinc/79/95/43/659799543.db2.gz YCEAUCWLESNTIC-ARFHVFGLSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+](C[C@H](O)CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)C1CC1 ZINC000934270745 659799552 /nfs/dbraw/zinc/79/95/52/659799552.db2.gz YCEAUCWLESNTIC-ARFHVFGLSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000991725356 659843114 /nfs/dbraw/zinc/84/31/14/659843114.db2.gz ZHNSLHGAOXATBL-RYUDHWBXSA-N 2 1 294.399 -0.783 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000991725356 659843117 /nfs/dbraw/zinc/84/31/17/659843117.db2.gz ZHNSLHGAOXATBL-RYUDHWBXSA-N 2 1 294.399 -0.783 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991725356 659843119 /nfs/dbraw/zinc/84/31/19/659843119.db2.gz ZHNSLHGAOXATBL-RYUDHWBXSA-N 2 1 294.399 -0.783 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CC(N)=O)CC3)C1 ZINC000992474934 659857186 /nfs/dbraw/zinc/85/71/86/659857186.db2.gz IXTVQSCQDUFVLR-YWPYICTPSA-N 2 1 294.399 -0.463 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CC(N)=O)CC3)C1 ZINC000992474934 659857189 /nfs/dbraw/zinc/85/71/89/659857189.db2.gz IXTVQSCQDUFVLR-YWPYICTPSA-N 2 1 294.399 -0.463 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)C1 ZINC000992474934 659857192 /nfs/dbraw/zinc/85/71/92/659857192.db2.gz IXTVQSCQDUFVLR-YWPYICTPSA-N 2 1 294.399 -0.463 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)C1 ZINC000992474934 659857195 /nfs/dbraw/zinc/85/71/95/659857195.db2.gz IXTVQSCQDUFVLR-YWPYICTPSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCO ZINC000939317782 659885414 /nfs/dbraw/zinc/88/54/14/659885414.db2.gz YFQWMRCRXMDXQV-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995551471 659901273 /nfs/dbraw/zinc/90/12/73/659901273.db2.gz NEQYWHPDPBPILM-MNOVXSKESA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC(N)=O ZINC000947936261 659963004 /nfs/dbraw/zinc/96/30/04/659963004.db2.gz UCJXLDCJIBFYFV-RYUDHWBXSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(N)=O ZINC000947936261 659963006 /nfs/dbraw/zinc/96/30/06/659963006.db2.gz UCJXLDCJIBFYFV-RYUDHWBXSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(N)=O ZINC000948038769 659964360 /nfs/dbraw/zinc/96/43/60/659964360.db2.gz BIXNFVZNRXOCGQ-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(N)=O ZINC000948038769 659964363 /nfs/dbraw/zinc/96/43/63/659964363.db2.gz BIXNFVZNRXOCGQ-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000950509024 659992900 /nfs/dbraw/zinc/99/29/00/659992900.db2.gz BDTJTHNFAPLGRG-CHWSQXEVSA-N 2 1 269.389 -0.289 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000950509024 659992902 /nfs/dbraw/zinc/99/29/02/659992902.db2.gz BDTJTHNFAPLGRG-CHWSQXEVSA-N 2 1 269.389 -0.289 20 0 CBADMP c1nc2c(c(N3CCN4CC[NH2+]C[C@@H]4C3)n1)C[NH2+]C2 ZINC001164392044 718831874 /nfs/dbraw/zinc/83/18/74/718831874.db2.gz MRSORXRYGDNDOL-SNVBAGLBSA-N 2 1 260.345 -0.826 20 0 CBADMP C[N@H+]1CCO[C@H]2CN(c3ncnc4c3CC[NH2+]CC4)C[C@H]21 ZINC001164666295 719370748 /nfs/dbraw/zinc/37/07/48/719370748.db2.gz DRBVEVYVRLBQCL-KGLIPLIRSA-N 2 1 289.383 -0.316 20 0 CBADMP NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467117 805578755 /nfs/dbraw/zinc/57/87/55/805578755.db2.gz DWVUHWCAHFSXGL-NWDGAFQWSA-N 2 1 292.383 -0.900 20 0 CBADMP NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467117 805578759 /nfs/dbraw/zinc/57/87/59/805578759.db2.gz DWVUHWCAHFSXGL-NWDGAFQWSA-N 2 1 292.383 -0.900 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467791 805579236 /nfs/dbraw/zinc/57/92/36/805579236.db2.gz SMGNLJKEYHGGLD-HZSPNIEDSA-N 2 1 293.411 -0.004 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805419 805626483 /nfs/dbraw/zinc/62/64/83/805626483.db2.gz GUVSZUFMFQSYHI-GRYCIOLGSA-N 2 1 255.362 -0.350 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805419 805626486 /nfs/dbraw/zinc/62/64/86/805626486.db2.gz GUVSZUFMFQSYHI-GRYCIOLGSA-N 2 1 255.362 -0.350 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001076805419 805626488 /nfs/dbraw/zinc/62/64/88/805626488.db2.gz GUVSZUFMFQSYHI-GRYCIOLGSA-N 2 1 255.362 -0.350 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076805419 805626490 /nfs/dbraw/zinc/62/64/90/805626490.db2.gz GUVSZUFMFQSYHI-GRYCIOLGSA-N 2 1 255.362 -0.350 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC2)C[C@H]1O ZINC001076812590 805630390 /nfs/dbraw/zinc/63/03/90/805630390.db2.gz MQEVWBGDGBWBFX-FRRDWIJNSA-N 2 1 267.373 -0.348 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC2)C[C@H]1O ZINC001076812590 805630392 /nfs/dbraw/zinc/63/03/92/805630392.db2.gz MQEVWBGDGBWBFX-FRRDWIJNSA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001076812590 805630396 /nfs/dbraw/zinc/63/03/96/805630396.db2.gz MQEVWBGDGBWBFX-FRRDWIJNSA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001076812590 805630400 /nfs/dbraw/zinc/63/04/00/805630400.db2.gz MQEVWBGDGBWBFX-FRRDWIJNSA-N 2 1 267.373 -0.348 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000089699256 790368354 /nfs/dbraw/zinc/36/83/54/790368354.db2.gz DATXBQLJUKALEN-SNVBAGLBSA-N 2 1 266.349 -0.692 20 0 CBADMP COCCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000234898571 790443707 /nfs/dbraw/zinc/44/37/07/790443707.db2.gz MIGZNUYOKIFLRS-CHWSQXEVSA-N 2 1 260.378 -0.058 20 0 CBADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](O)COCCOC)C1 ZINC000300258717 790469750 /nfs/dbraw/zinc/46/97/50/790469750.db2.gz IXKJKHTWXDDYCT-STQMWFEESA-N 2 1 260.378 -0.058 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)c2cc[nH]c(=O)c2)CC1 ZINC000321632538 790486158 /nfs/dbraw/zinc/48/61/58/790486158.db2.gz YLKVTXCBEXFTDP-UHFFFAOYSA-N 2 1 264.329 -0.060 20 0 CBADMP O[C@@H](CN1CCOCC1)CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000382971024 790527910 /nfs/dbraw/zinc/52/79/10/790527910.db2.gz JJQQXWJBRWBWAI-GJZGRUSLSA-N 2 1 283.416 -0.150 20 0 CBADMP O[C@H](CN1CCOCC1)CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000382971029 790529308 /nfs/dbraw/zinc/52/93/08/790529308.db2.gz JJQQXWJBRWBWAI-LSDHHAIUSA-N 2 1 283.416 -0.150 20 0 CBADMP CN(C[C@@H](O)C[NH+]1CCOCC1)C[C@@H]1CCC[NH2+]1 ZINC000385998685 790544866 /nfs/dbraw/zinc/54/48/66/790544866.db2.gz STHQPCSEIBEUJE-QWHCGFSZSA-N 2 1 257.378 -0.637 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000389242273 790562253 /nfs/dbraw/zinc/56/22/53/790562253.db2.gz BTAYFZDMKDOORN-IHRRRGAJSA-N 2 1 273.421 -0.050 20 0 CBADMP Cn1ncc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000389111384 790561640 /nfs/dbraw/zinc/56/16/40/790561640.db2.gz PXMRUAYEEBISMM-SNVBAGLBSA-N 2 1 266.349 -0.898 20 0 CBADMP Cn1ncc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000389111384 790561652 /nfs/dbraw/zinc/56/16/52/790561652.db2.gz PXMRUAYEEBISMM-SNVBAGLBSA-N 2 1 266.349 -0.898 20 0 CBADMP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394393513 790576210 /nfs/dbraw/zinc/57/62/10/790576210.db2.gz ZKGGVFWFIHGNCU-DGCLKSJQSA-N 2 1 266.389 -0.367 20 0 CBADMP [NH3+][C@@H](CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)C1CC1 ZINC000394385582 790576785 /nfs/dbraw/zinc/57/67/85/790576785.db2.gz MLERMSOGJFHYEU-OLZOCXBDSA-N 2 1 266.389 -0.380 20 0 CBADMP [NH3+][C@H](CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)C1CC1 ZINC000394385581 790577082 /nfs/dbraw/zinc/57/70/82/790577082.db2.gz MLERMSOGJFHYEU-CHWSQXEVSA-N 2 1 266.389 -0.380 20 0 CBADMP [NH3+]CCS(=O)(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398278373 790596295 /nfs/dbraw/zinc/59/62/95/790596295.db2.gz FCCZFUQSPACQIS-WDNDVIMCSA-N 2 1 295.408 -0.005 20 0 CBADMP COCCOC[C@H](O)C[NH2+]CCc1c[nH+]cn1C ZINC000401777680 790606934 /nfs/dbraw/zinc/60/69/34/790606934.db2.gz UOAXPCAHMSJZFU-GFCCVEGCSA-N 2 1 257.334 -0.424 20 0 CBADMP CCO[C@@H]1C[N@H+](CCN2CCOC2=O)C[C@H]1C[NH3+] ZINC000405214341 790616901 /nfs/dbraw/zinc/61/69/01/790616901.db2.gz MRVVSTWCGJLJRE-GHMZBOCLSA-N 2 1 257.334 -0.266 20 0 CBADMP CCO[C@@H]1C[N@@H+](CCN2CCOC2=O)C[C@H]1C[NH3+] ZINC000405214341 790616904 /nfs/dbraw/zinc/61/69/04/790616904.db2.gz MRVVSTWCGJLJRE-GHMZBOCLSA-N 2 1 257.334 -0.266 20 0 CBADMP CN(C)S(=O)(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405449849 790618718 /nfs/dbraw/zinc/61/87/18/790618718.db2.gz XKPYHPLNRWQZQX-ZJUUUORDSA-N 2 1 261.391 -0.263 20 0 CBADMP C[N@@H+]1CCN(C[C@H](O)C[NH+]2CCCC2)C[C@H]1CO ZINC000687589326 790653232 /nfs/dbraw/zinc/65/32/32/790653232.db2.gz KYRQCUOIZVTQBL-QWHCGFSZSA-N 2 1 257.378 -0.949 20 0 CBADMP C[N@H+]1CCN(C[C@H](O)C[NH+]2CCCC2)C[C@H]1CO ZINC000687589326 790653236 /nfs/dbraw/zinc/65/32/36/790653236.db2.gz KYRQCUOIZVTQBL-QWHCGFSZSA-N 2 1 257.378 -0.949 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000695077035 790687577 /nfs/dbraw/zinc/68/75/77/790687577.db2.gz MYWZTHQMUBOGHN-WDEREUQCSA-N 2 1 261.391 -0.309 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000695077035 790687582 /nfs/dbraw/zinc/68/75/82/790687582.db2.gz MYWZTHQMUBOGHN-WDEREUQCSA-N 2 1 261.391 -0.309 20 0 CBADMP O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000695414717 790689248 /nfs/dbraw/zinc/68/92/48/790689248.db2.gz YGXYLVYDNANMPE-AGIUHOORSA-N 2 1 267.373 -0.035 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000699326652 790700925 /nfs/dbraw/zinc/70/09/25/790700925.db2.gz HCAONRHRMYBWQJ-LLVKDONJSA-N 2 1 263.407 -0.061 20 0 CBADMP O[C@H](CN1CCOCC1)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000714976503 790751270 /nfs/dbraw/zinc/75/12/70/790751270.db2.gz WAPCERSMSTUPHV-KFWWJZLASA-N 2 1 283.416 -0.247 20 0 CBADMP O[C@H](CN1CCOCC1)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000714976503 790751276 /nfs/dbraw/zinc/75/12/76/790751276.db2.gz WAPCERSMSTUPHV-KFWWJZLASA-N 2 1 283.416 -0.247 20 0 CBADMP Cn1ncc(C[NH3+])c1C(=O)N1CCC[N@@H+](C)CC1 ZINC000719193615 790759465 /nfs/dbraw/zinc/75/94/65/790759465.db2.gz SETLCDADYZXPSP-UHFFFAOYSA-N 2 1 251.334 -0.344 20 0 CBADMP CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514011 790766283 /nfs/dbraw/zinc/76/62/83/790766283.db2.gz SMMDJDAQNPJWNI-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP COC[C@@H](C)OC[C@@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720646105 790770604 /nfs/dbraw/zinc/77/06/04/790770604.db2.gz IMCRAKOBFODJLM-ZOBORPQBSA-N 2 1 272.389 -0.060 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724937533 790813273 /nfs/dbraw/zinc/81/32/73/790813273.db2.gz VNLUDWLCRXDZGI-QWHCGFSZSA-N 2 1 285.388 -0.421 20 0 CBADMP C[N@@H+](CCO[C@@H]1CCOC1)CCN1CC[NH2+]CC1 ZINC000724930544 790815169 /nfs/dbraw/zinc/81/51/69/790815169.db2.gz KYOPRZXLYODHEI-CYBMUJFWSA-N 2 1 257.378 -0.371 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000823416065 790842652 /nfs/dbraw/zinc/84/26/52/790842652.db2.gz OXZWGEPPHRLQJS-NWDGAFQWSA-N 2 1 275.418 -0.191 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000823416065 790842664 /nfs/dbraw/zinc/84/26/64/790842664.db2.gz OXZWGEPPHRLQJS-NWDGAFQWSA-N 2 1 275.418 -0.191 20 0 CBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000823416065 790842671 /nfs/dbraw/zinc/84/26/71/790842671.db2.gz OXZWGEPPHRLQJS-NWDGAFQWSA-N 2 1 275.418 -0.191 20 0 CBADMP CCS(=O)(=O)NCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000823416065 790842695 /nfs/dbraw/zinc/84/26/95/790842695.db2.gz OXZWGEPPHRLQJS-NWDGAFQWSA-N 2 1 275.418 -0.191 20 0 CBADMP CN(C)CC(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 ZINC000823676253 790847517 /nfs/dbraw/zinc/84/75/17/790847517.db2.gz MSERZILMJCZCCI-UHFFFAOYSA-N 2 1 297.403 -0.940 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000828697243 790887684 /nfs/dbraw/zinc/88/76/84/790887684.db2.gz JPFQIBXGDIIGCN-OCCSQVGLSA-N 2 1 283.372 -0.920 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCC[N@H+]1C1CC1 ZINC000828697243 790887695 /nfs/dbraw/zinc/88/76/95/790887695.db2.gz JPFQIBXGDIIGCN-OCCSQVGLSA-N 2 1 283.372 -0.920 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC000912598126 790914809 /nfs/dbraw/zinc/91/48/09/790914809.db2.gz BVZJAYGYYDTKMD-LBPRGKRZSA-N 2 1 257.378 -0.289 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000912598126 790914815 /nfs/dbraw/zinc/91/48/15/790914815.db2.gz BVZJAYGYYDTKMD-LBPRGKRZSA-N 2 1 257.378 -0.289 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000912598126 790914823 /nfs/dbraw/zinc/91/48/23/790914823.db2.gz BVZJAYGYYDTKMD-LBPRGKRZSA-N 2 1 257.378 -0.289 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001021897310 790966201 /nfs/dbraw/zinc/96/62/01/790966201.db2.gz HMPQZVSCATUYRI-WRWGMCAJSA-N 2 1 280.372 -0.794 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001021896047 790966255 /nfs/dbraw/zinc/96/62/55/790966255.db2.gz UIFYZZZUFQBZQB-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC001021904646 790969351 /nfs/dbraw/zinc/96/93/51/790969351.db2.gz BDZOFGSZWNFJPA-TUAOUCFPSA-N 2 1 292.387 -0.056 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC3)C2)C1 ZINC001021927677 790970309 /nfs/dbraw/zinc/97/03/09/790970309.db2.gz JEXTYDMEXIWVEY-FRRDWIJNSA-N 2 1 267.373 -0.036 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC3)C2)C1 ZINC001021927677 790970318 /nfs/dbraw/zinc/97/03/18/790970318.db2.gz JEXTYDMEXIWVEY-FRRDWIJNSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001022105177 790992015 /nfs/dbraw/zinc/99/20/15/790992015.db2.gz SPDXTJCTWIFWTN-CHWFTXMASA-N 2 1 268.361 -0.951 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001022164877 790993947 /nfs/dbraw/zinc/99/39/47/790993947.db2.gz SNNYANZNADZLNS-WUHRBBMRSA-N 2 1 296.415 -0.029 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022350390 791005710 /nfs/dbraw/zinc/00/57/10/791005710.db2.gz LOYCGYVKWLBEMH-FRRDWIJNSA-N 2 1 296.415 -0.171 20 0 CBADMP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001022455080 791014346 /nfs/dbraw/zinc/01/43/46/791014346.db2.gz GDCAPIOKBXUHBX-DPWYMPPLSA-N 2 1 295.383 -0.921 20 0 CBADMP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001022455081 791015712 /nfs/dbraw/zinc/01/57/12/791015712.db2.gz GDCAPIOKBXUHBX-UOQZBTRHSA-N 2 1 295.383 -0.921 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001022593125 791029413 /nfs/dbraw/zinc/02/94/13/791029413.db2.gz IHSUQOZZMOVWST-MQYQWHSLSA-N 2 1 299.415 -0.287 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001022593125 791029422 /nfs/dbraw/zinc/02/94/22/791029422.db2.gz IHSUQOZZMOVWST-MQYQWHSLSA-N 2 1 299.415 -0.287 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001022715973 791040654 /nfs/dbraw/zinc/04/06/54/791040654.db2.gz OZQFXYJTPGIYSB-LPWJVIDDSA-N 2 1 269.389 -0.054 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001022713746 791041587 /nfs/dbraw/zinc/04/15/87/791041587.db2.gz MBXMKESTYLXVPD-RVMXOQNASA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001022714529 791042341 /nfs/dbraw/zinc/04/23/41/791042341.db2.gz WFBQWJIXQBHJQS-WHOHXGKFSA-N 2 1 282.388 -0.561 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147886326 814924186 /nfs/dbraw/zinc/92/41/86/814924186.db2.gz UIQJVRIOJGYVRI-ZDUSSCGKSA-N 2 1 298.431 -0.194 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077004302 805670901 /nfs/dbraw/zinc/67/09/01/805670901.db2.gz XTRNWJILSURUJN-BFHYXJOUSA-N 2 1 297.399 -0.864 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077004260 805672058 /nfs/dbraw/zinc/67/20/58/805672058.db2.gz WCUYXAPYEKDIJA-MGPQQGTHSA-N 2 1 281.400 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147886369 814924481 /nfs/dbraw/zinc/92/44/81/814924481.db2.gz VKAIJXOEBOXIJZ-WDEREUQCSA-N 2 1 270.377 -0.832 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147886584 814924585 /nfs/dbraw/zinc/92/45/85/814924585.db2.gz XZPZTGJQOKBMBB-VXGBXAGGSA-N 2 1 273.377 -0.959 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1O ZINC001077392746 805725893 /nfs/dbraw/zinc/72/58/93/805725893.db2.gz OQPQNHFJMMBKLW-VXGBXAGGSA-N 2 1 266.345 -0.239 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1O ZINC001077392746 805725899 /nfs/dbraw/zinc/72/58/99/805725899.db2.gz OQPQNHFJMMBKLW-VXGBXAGGSA-N 2 1 266.345 -0.239 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418527 805727842 /nfs/dbraw/zinc/72/78/42/805727842.db2.gz STIAPRISODZIJJ-YGFYLSKRSA-N 2 1 295.383 -0.969 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418527 805727847 /nfs/dbraw/zinc/72/78/47/805727847.db2.gz STIAPRISODZIJJ-YGFYLSKRSA-N 2 1 295.383 -0.969 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418527 805727851 /nfs/dbraw/zinc/72/78/51/805727851.db2.gz STIAPRISODZIJJ-YGFYLSKRSA-N 2 1 295.383 -0.969 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001077553976 805747102 /nfs/dbraw/zinc/74/71/02/805747102.db2.gz XOCMOTYQGYFKDO-BFHYXJOUSA-N 2 1 299.415 -0.738 20 0 CBADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001077553976 805747107 /nfs/dbraw/zinc/74/71/07/805747107.db2.gz XOCMOTYQGYFKDO-BFHYXJOUSA-N 2 1 299.415 -0.738 20 0 CBADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001077553976 805747111 /nfs/dbraw/zinc/74/71/11/805747111.db2.gz XOCMOTYQGYFKDO-BFHYXJOUSA-N 2 1 299.415 -0.738 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675198 805763133 /nfs/dbraw/zinc/76/31/33/805763133.db2.gz FDCFXRPEPBAKAA-IJLUTSLNSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001077675198 805763139 /nfs/dbraw/zinc/76/31/39/805763139.db2.gz FDCFXRPEPBAKAA-IJLUTSLNSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001077675198 805763145 /nfs/dbraw/zinc/76/31/45/805763145.db2.gz FDCFXRPEPBAKAA-IJLUTSLNSA-N 2 1 255.362 -0.348 20 0 CBADMP Cc1conc1C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893346 814925119 /nfs/dbraw/zinc/92/51/19/814925119.db2.gz OKASBJZNBOBAFF-UHFFFAOYSA-N 2 1 284.360 -0.233 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCOCCO)C1 ZINC001147886456 814925290 /nfs/dbraw/zinc/92/52/90/814925290.db2.gz WPFUZEFHASKTIZ-LBPRGKRZSA-N 2 1 273.377 -0.957 20 0 CBADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077778389 805780766 /nfs/dbraw/zinc/78/07/66/805780766.db2.gz HKUCXBVXMLRIGK-HZSPNIEDSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077778389 805780772 /nfs/dbraw/zinc/78/07/72/805780772.db2.gz HKUCXBVXMLRIGK-HZSPNIEDSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077778389 805780780 /nfs/dbraw/zinc/78/07/80/805780780.db2.gz HKUCXBVXMLRIGK-HZSPNIEDSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077778389 805780783 /nfs/dbraw/zinc/78/07/83/805780783.db2.gz HKUCXBVXMLRIGK-HZSPNIEDSA-N 2 1 299.415 -0.597 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778303 805781573 /nfs/dbraw/zinc/78/15/73/805781573.db2.gz BUFGANWZWOFFNZ-MRVWCRGKSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078008573 805821634 /nfs/dbraw/zinc/82/16/34/805821634.db2.gz LLHOPEBMLKXWAO-YNEHKIRRSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078008573 805821643 /nfs/dbraw/zinc/82/16/43/805821643.db2.gz LLHOPEBMLKXWAO-YNEHKIRRSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078008573 805821652 /nfs/dbraw/zinc/82/16/52/805821652.db2.gz LLHOPEBMLKXWAO-YNEHKIRRSA-N 2 1 269.389 -0.102 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001078174093 805848069 /nfs/dbraw/zinc/84/80/69/805848069.db2.gz BBMHUGMXOOJQBU-YNEHKIRRSA-N 2 1 267.373 -0.491 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)C1 ZINC001078174093 805848077 /nfs/dbraw/zinc/84/80/77/805848077.db2.gz BBMHUGMXOOJQBU-YNEHKIRRSA-N 2 1 267.373 -0.491 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)C1 ZINC001078174093 805848087 /nfs/dbraw/zinc/84/80/87/805848087.db2.gz BBMHUGMXOOJQBU-YNEHKIRRSA-N 2 1 267.373 -0.491 20 0 CBADMP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175735 805848238 /nfs/dbraw/zinc/84/82/38/805848238.db2.gz KHRULUZXFJQEPY-JHJVBQTASA-N 2 1 269.389 -0.245 20 0 CBADMP CC(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078175735 805848247 /nfs/dbraw/zinc/84/82/47/805848247.db2.gz KHRULUZXFJQEPY-JHJVBQTASA-N 2 1 269.389 -0.245 20 0 CBADMP CC(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078175735 805848253 /nfs/dbraw/zinc/84/82/53/805848253.db2.gz KHRULUZXFJQEPY-JHJVBQTASA-N 2 1 269.389 -0.245 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@H]2O)C1 ZINC001078174546 805849483 /nfs/dbraw/zinc/84/94/83/805849483.db2.gz PATZNLMDTVFOGD-MGPQQGTHSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCC3)C[C@H]2O)C1 ZINC001078174546 805849493 /nfs/dbraw/zinc/84/94/93/805849493.db2.gz PATZNLMDTVFOGD-MGPQQGTHSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2O)C1 ZINC001078174546 805849501 /nfs/dbraw/zinc/84/95/01/805849501.db2.gz PATZNLMDTVFOGD-MGPQQGTHSA-N 2 1 281.400 -0.101 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175750 805849605 /nfs/dbraw/zinc/84/96/05/805849605.db2.gz KXHDXVNQUDJTDB-QJPTWQEYSA-N 2 1 255.362 -0.491 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078175750 805849612 /nfs/dbraw/zinc/84/96/12/805849612.db2.gz KXHDXVNQUDJTDB-QJPTWQEYSA-N 2 1 255.362 -0.491 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078175750 805849622 /nfs/dbraw/zinc/84/96/22/805849622.db2.gz KXHDXVNQUDJTDB-QJPTWQEYSA-N 2 1 255.362 -0.491 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@H]2O)C1 ZINC001078174314 805849801 /nfs/dbraw/zinc/84/98/01/805849801.db2.gz HYMFIYJMADGMOT-IJLUTSLNSA-N 2 1 273.352 -0.541 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)C1 ZINC001078174314 805849807 /nfs/dbraw/zinc/84/98/07/805849807.db2.gz HYMFIYJMADGMOT-IJLUTSLNSA-N 2 1 273.352 -0.541 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)C1 ZINC001078174314 805849817 /nfs/dbraw/zinc/84/98/17/805849817.db2.gz HYMFIYJMADGMOT-IJLUTSLNSA-N 2 1 273.352 -0.541 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCCO1 ZINC001078487710 805878807 /nfs/dbraw/zinc/87/88/07/805878807.db2.gz OVBGFLNKUIGPHG-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079489634 805920293 /nfs/dbraw/zinc/92/02/93/805920293.db2.gz IEVLQPPQOHVPLX-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001079489634 805920295 /nfs/dbraw/zinc/92/02/95/805920295.db2.gz IEVLQPPQOHVPLX-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001079489634 805920296 /nfs/dbraw/zinc/92/02/96/805920296.db2.gz IEVLQPPQOHVPLX-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001147900681 814926439 /nfs/dbraw/zinc/92/64/39/814926439.db2.gz UIULCHPYVGBVPP-NEPJUHHUSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)C[C@H]2C)CC[N@@H+]1C ZINC001079730731 805941622 /nfs/dbraw/zinc/94/16/22/805941622.db2.gz LTCMTBCTQOHWMB-YVECIDJPSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)C[C@H]2C)CC[N@H+]1C ZINC001079730731 805941632 /nfs/dbraw/zinc/94/16/32/805941632.db2.gz LTCMTBCTQOHWMB-YVECIDJPSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)CC[NH+]1C ZINC001079730731 805941635 /nfs/dbraw/zinc/94/16/35/805941635.db2.gz LTCMTBCTQOHWMB-YVECIDJPSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)CC[NH+]1C ZINC001079730731 805941644 /nfs/dbraw/zinc/94/16/44/805941644.db2.gz LTCMTBCTQOHWMB-YVECIDJPSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079724056 805941667 /nfs/dbraw/zinc/94/16/67/805941667.db2.gz YAUFRQPPEYWRLA-FDYHWXHSSA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079724056 805941670 /nfs/dbraw/zinc/94/16/70/805941670.db2.gz YAUFRQPPEYWRLA-FDYHWXHSSA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079724056 805941676 /nfs/dbraw/zinc/94/16/76/805941676.db2.gz YAUFRQPPEYWRLA-FDYHWXHSSA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710552 805942501 /nfs/dbraw/zinc/94/25/01/805942501.db2.gz MWUJABUZJBQPGA-KGYLQXTDSA-N 2 1 294.399 -0.750 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710552 805942511 /nfs/dbraw/zinc/94/25/11/805942511.db2.gz MWUJABUZJBQPGA-KGYLQXTDSA-N 2 1 294.399 -0.750 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726376 805942682 /nfs/dbraw/zinc/94/26/82/805942682.db2.gz RHXSHVJNTIXEMP-DDHJBXDOSA-N 2 1 282.388 -0.752 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726376 805942685 /nfs/dbraw/zinc/94/26/85/805942685.db2.gz RHXSHVJNTIXEMP-DDHJBXDOSA-N 2 1 282.388 -0.752 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726376 805942688 /nfs/dbraw/zinc/94/26/88/805942688.db2.gz RHXSHVJNTIXEMP-DDHJBXDOSA-N 2 1 282.388 -0.752 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726376 805942691 /nfs/dbraw/zinc/94/26/91/805942691.db2.gz RHXSHVJNTIXEMP-DDHJBXDOSA-N 2 1 282.388 -0.752 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079723851 805943540 /nfs/dbraw/zinc/94/35/40/805943540.db2.gz NHWCJLNPRGJTGF-FDYHWXHSSA-N 2 1 296.415 -0.491 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079723851 805943543 /nfs/dbraw/zinc/94/35/43/805943543.db2.gz NHWCJLNPRGJTGF-FDYHWXHSSA-N 2 1 296.415 -0.491 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079723851 805943545 /nfs/dbraw/zinc/94/35/45/805943545.db2.gz NHWCJLNPRGJTGF-FDYHWXHSSA-N 2 1 296.415 -0.491 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079723851 805943547 /nfs/dbraw/zinc/94/35/47/805943547.db2.gz NHWCJLNPRGJTGF-FDYHWXHSSA-N 2 1 296.415 -0.491 20 0 CBADMP CNC(=O)CN1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001080138123 805961968 /nfs/dbraw/zinc/96/19/68/805961968.db2.gz FAUSRMKRFNVFGL-ZYHUDNBSSA-N 2 1 293.371 -0.626 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080787514 806011216 /nfs/dbraw/zinc/01/12/16/806011216.db2.gz DLKXMIJOIDZHHF-FRRDWIJNSA-N 2 1 281.400 -0.101 20 0 CBADMP CO[C@@H]1C[N@H+](CC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481908 806087791 /nfs/dbraw/zinc/08/77/91/806087791.db2.gz ZYFGBAMHWHKUHO-MGPQQGTHSA-N 2 1 299.415 -0.212 20 0 CBADMP CO[C@@H]1C[N@@H+](CC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481908 806087799 /nfs/dbraw/zinc/08/77/99/806087799.db2.gz ZYFGBAMHWHKUHO-MGPQQGTHSA-N 2 1 299.415 -0.212 20 0 CBADMP CO[C@@H]1C[NH+](CC(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481908 806087806 /nfs/dbraw/zinc/08/78/06/806087806.db2.gz ZYFGBAMHWHKUHO-MGPQQGTHSA-N 2 1 299.415 -0.212 20 0 CBADMP CO[C@@H]1C[NH+](CC(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481908 806087815 /nfs/dbraw/zinc/08/78/15/806087815.db2.gz ZYFGBAMHWHKUHO-MGPQQGTHSA-N 2 1 299.415 -0.212 20 0 CBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1OC ZINC001081766796 806121757 /nfs/dbraw/zinc/12/17/57/806121757.db2.gz DKDXCQNDTMCILY-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1OC ZINC001081766796 806121762 /nfs/dbraw/zinc/12/17/62/806121762.db2.gz DKDXCQNDTMCILY-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC ZINC001081766796 806121768 /nfs/dbraw/zinc/12/17/68/806121768.db2.gz DKDXCQNDTMCILY-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001081766796 806121775 /nfs/dbraw/zinc/12/17/75/806121775.db2.gz DKDXCQNDTMCILY-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370846 806169242 /nfs/dbraw/zinc/16/92/42/806169242.db2.gz DZRUSXLFWHFLEN-BFHYXJOUSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370846 806169245 /nfs/dbraw/zinc/16/92/45/806169245.db2.gz DZRUSXLFWHFLEN-BFHYXJOUSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371429 806171131 /nfs/dbraw/zinc/17/11/31/806171131.db2.gz IPRNMRLANGQRSN-CYZMBNFOSA-N 2 1 296.371 -0.612 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371429 806171137 /nfs/dbraw/zinc/17/11/37/806171137.db2.gz IPRNMRLANGQRSN-CYZMBNFOSA-N 2 1 296.371 -0.612 20 0 CBADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)C(N)=O ZINC001082561594 806186310 /nfs/dbraw/zinc/18/63/10/806186310.db2.gz CXFUWKGFPUPUAV-NTZNESFSSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082570209 806186508 /nfs/dbraw/zinc/18/65/08/806186508.db2.gz BYASOKSXYZMFFU-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCO)C2)C1 ZINC001082934546 806198100 /nfs/dbraw/zinc/19/81/00/806198100.db2.gz OUOLFYXLZNHSMY-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCO)C2)C1 ZINC001082934546 806198106 /nfs/dbraw/zinc/19/81/06/806198106.db2.gz OUOLFYXLZNHSMY-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21)[NH+](C)C ZINC001083119958 806230409 /nfs/dbraw/zinc/23/04/09/806230409.db2.gz RYJCHDAWLHCILZ-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21)[NH+](C)C ZINC001083119958 806230416 /nfs/dbraw/zinc/23/04/16/806230416.db2.gz RYJCHDAWLHCILZ-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21)[NH+](C)C ZINC001083120045 806231163 /nfs/dbraw/zinc/23/11/63/806231163.db2.gz WVRJUHTVUBQIKA-FRRDWIJNSA-N 2 1 285.388 -0.770 20 0 CBADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21)[NH+](C)C ZINC001083120045 806231170 /nfs/dbraw/zinc/23/11/70/806231170.db2.gz WVRJUHTVUBQIKA-FRRDWIJNSA-N 2 1 285.388 -0.770 20 0 CBADMP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373133 806289768 /nfs/dbraw/zinc/28/97/68/806289768.db2.gz STGHAZGWQSMLOS-WOPDTQHZSA-N 2 1 255.362 -0.348 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373133 806289775 /nfs/dbraw/zinc/28/97/75/806289775.db2.gz STGHAZGWQSMLOS-WOPDTQHZSA-N 2 1 255.362 -0.348 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083373133 806289778 /nfs/dbraw/zinc/28/97/78/806289778.db2.gz STGHAZGWQSMLOS-WOPDTQHZSA-N 2 1 255.362 -0.348 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083373133 806289787 /nfs/dbraw/zinc/28/97/87/806289787.db2.gz STGHAZGWQSMLOS-WOPDTQHZSA-N 2 1 255.362 -0.348 20 0 CBADMP CCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083646043 806393772 /nfs/dbraw/zinc/39/37/72/806393772.db2.gz IRFJPNWVBJIFBS-NEPJUHHUSA-N 2 1 266.345 -0.237 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083646043 806393784 /nfs/dbraw/zinc/39/37/84/806393784.db2.gz IRFJPNWVBJIFBS-NEPJUHHUSA-N 2 1 266.345 -0.237 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083783032 806431848 /nfs/dbraw/zinc/43/18/48/806431848.db2.gz XIBDATQNYGNUPM-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083783032 806431854 /nfs/dbraw/zinc/43/18/54/806431854.db2.gz XIBDATQNYGNUPM-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083783032 806431860 /nfs/dbraw/zinc/43/18/60/806431860.db2.gz XIBDATQNYGNUPM-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083783032 806431865 /nfs/dbraw/zinc/43/18/65/806431865.db2.gz XIBDATQNYGNUPM-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059491 806484079 /nfs/dbraw/zinc/48/40/79/806484079.db2.gz LFLOXDZOOWHPRU-RTXFEEFZSA-N 2 1 296.371 -0.612 20 0 CBADMP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059491 806484083 /nfs/dbraw/zinc/48/40/83/806484083.db2.gz LFLOXDZOOWHPRU-RTXFEEFZSA-N 2 1 296.371 -0.612 20 0 CBADMP CC(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058100 806484290 /nfs/dbraw/zinc/48/42/90/806484290.db2.gz KBMHVNYQJCWASP-OLZOCXBDSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058100 806484293 /nfs/dbraw/zinc/48/42/93/806484293.db2.gz KBMHVNYQJCWASP-OLZOCXBDSA-N 2 1 269.389 -0.101 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057658 806484426 /nfs/dbraw/zinc/48/44/26/806484426.db2.gz VNOOKIBYKZYJFI-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057658 806484429 /nfs/dbraw/zinc/48/44/29/806484429.db2.gz VNOOKIBYKZYJFI-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060026 806484573 /nfs/dbraw/zinc/48/45/73/806484573.db2.gz DOPHPLMVJIAVGA-MNOVXSKESA-N 2 1 252.318 -0.627 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060026 806484580 /nfs/dbraw/zinc/48/45/80/806484580.db2.gz DOPHPLMVJIAVGA-MNOVXSKESA-N 2 1 252.318 -0.627 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21 ZINC001084231473 806503209 /nfs/dbraw/zinc/50/32/09/806503209.db2.gz BFVKWEJRQCCFSC-JHJVBQTASA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084231473 806503215 /nfs/dbraw/zinc/50/32/15/806503215.db2.gz BFVKWEJRQCCFSC-JHJVBQTASA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084231473 806503218 /nfs/dbraw/zinc/50/32/18/806503218.db2.gz BFVKWEJRQCCFSC-JHJVBQTASA-N 2 1 267.373 -0.394 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21 ZINC001084455475 806520782 /nfs/dbraw/zinc/52/07/82/806520782.db2.gz WUOFCKHMUXOXFO-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084455475 806520784 /nfs/dbraw/zinc/52/07/84/806520784.db2.gz WUOFCKHMUXOXFO-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084455475 806520787 /nfs/dbraw/zinc/52/07/87/806520787.db2.gz WUOFCKHMUXOXFO-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)CC[N@H+]1C ZINC001085202092 806549534 /nfs/dbraw/zinc/54/95/34/806549534.db2.gz NUEMCZPCSNCWQH-FDYHWXHSSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085245402 806550431 /nfs/dbraw/zinc/55/04/31/806550431.db2.gz WERLLYJGXKKFSN-UPJWGTAASA-N 2 1 296.415 -0.027 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085275250 806549817 /nfs/dbraw/zinc/54/98/17/806549817.db2.gz WYNAZTSASJRJCV-VXGBXAGGSA-N 2 1 293.371 -0.306 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)[C@H]1CCC[NH+]1C ZINC001085519776 806571101 /nfs/dbraw/zinc/57/11/01/806571101.db2.gz XIZSEPQKJZRCQV-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001085519776 806571107 /nfs/dbraw/zinc/57/11/07/806571107.db2.gz XIZSEPQKJZRCQV-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001085519776 806571113 /nfs/dbraw/zinc/57/11/13/806571113.db2.gz XIZSEPQKJZRCQV-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086047097 806638719 /nfs/dbraw/zinc/63/87/19/806638719.db2.gz DUZZJJKOQIZKMI-NDBYEHHHSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086047096 806639446 /nfs/dbraw/zinc/63/94/46/806639446.db2.gz DUZZJJKOQIZKMI-FVCCEPFGSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001022975559 798869899 /nfs/dbraw/zinc/86/98/99/798869899.db2.gz ONBONZNHHJROPQ-FIQHERPVSA-N 2 1 282.388 -0.561 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022973299 798870515 /nfs/dbraw/zinc/87/05/15/798870515.db2.gz GRFHKYQFOXJGKY-GARJFASQSA-N 2 1 268.361 -0.950 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001022975562 798870540 /nfs/dbraw/zinc/87/05/40/798870540.db2.gz ONBONZNHHJROPQ-WHOHXGKFSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001022975866 798871010 /nfs/dbraw/zinc/87/10/10/798871010.db2.gz VYCJSWIYMWPGRM-LPWJVIDDSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001022975561 798871022 /nfs/dbraw/zinc/87/10/22/798871022.db2.gz ONBONZNHHJROPQ-KXNHARMFSA-N 2 1 282.388 -0.561 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001023086336 798879428 /nfs/dbraw/zinc/87/94/28/798879428.db2.gz IKLWJSLLCJWZFC-UPJWGTAASA-N 2 1 292.387 -0.533 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001023086668 798879627 /nfs/dbraw/zinc/87/96/27/798879627.db2.gz SZASUUBNTYJYKE-WISYIIOYSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001023083884 798879761 /nfs/dbraw/zinc/87/97/61/798879761.db2.gz CGLUCNZFXSIBJV-DBIOUOCHSA-N 2 1 268.361 -0.951 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001023128671 798885583 /nfs/dbraw/zinc/88/55/83/798885583.db2.gz OBEZOPXPIHQYGN-RVMXOQNASA-N 2 1 296.415 -0.029 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001023273509 798897986 /nfs/dbraw/zinc/89/79/86/798897986.db2.gz NGXIYPWMBVMBTR-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001023273509 798897990 /nfs/dbraw/zinc/89/79/90/798897990.db2.gz NGXIYPWMBVMBTR-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001023273509 798897994 /nfs/dbraw/zinc/89/79/94/798897994.db2.gz NGXIYPWMBVMBTR-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001023273509 798897998 /nfs/dbraw/zinc/89/79/98/798897998.db2.gz NGXIYPWMBVMBTR-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](CCO)C2)O1 ZINC001023451546 798907040 /nfs/dbraw/zinc/90/70/40/798907040.db2.gz PYJUGKBOBCJWJK-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](CCO)C2)O1 ZINC001023451546 798907042 /nfs/dbraw/zinc/90/70/42/798907042.db2.gz PYJUGKBOBCJWJK-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+](CCO)C2)O1 ZINC001023451546 798907047 /nfs/dbraw/zinc/90/70/47/798907047.db2.gz PYJUGKBOBCJWJK-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)O1 ZINC001023451546 798907052 /nfs/dbraw/zinc/90/70/52/798907052.db2.gz PYJUGKBOBCJWJK-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703206 798919480 /nfs/dbraw/zinc/91/94/80/798919480.db2.gz CSTYOORGNKOVLE-LBPRGKRZSA-N 2 1 294.399 -0.604 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703206 798919484 /nfs/dbraw/zinc/91/94/84/798919484.db2.gz CSTYOORGNKOVLE-LBPRGKRZSA-N 2 1 294.399 -0.604 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+](CCO)C2)C1 ZINC001023750837 798922069 /nfs/dbraw/zinc/92/20/69/798922069.db2.gz XZMNTTHZTQGJIA-CHWSQXEVSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001023750837 798922076 /nfs/dbraw/zinc/92/20/76/798922076.db2.gz XZMNTTHZTQGJIA-CHWSQXEVSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001023750837 798922079 /nfs/dbraw/zinc/92/20/79/798922079.db2.gz XZMNTTHZTQGJIA-CHWSQXEVSA-N 2 1 269.389 -0.241 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001025708334 798971529 /nfs/dbraw/zinc/97/15/29/798971529.db2.gz PGOZZTKUSNBVOX-BNDIWNMDSA-N 2 1 294.399 -0.739 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001025708334 798971537 /nfs/dbraw/zinc/97/15/37/798971537.db2.gz PGOZZTKUSNBVOX-BNDIWNMDSA-N 2 1 294.399 -0.739 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001025708334 798971544 /nfs/dbraw/zinc/97/15/44/798971544.db2.gz PGOZZTKUSNBVOX-BNDIWNMDSA-N 2 1 294.399 -0.739 20 0 CBADMP 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 798990655 /nfs/dbraw/zinc/99/06/55/798990655.db2.gz GEQXNRFIRTXHFY-NTASLKFISA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001026140331 798990658 /nfs/dbraw/zinc/99/06/58/798990658.db2.gz GEQXNRFIRTXHFY-NTASLKFISA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001026140331 798990662 /nfs/dbraw/zinc/99/06/62/798990662.db2.gz GEQXNRFIRTXHFY-NTASLKFISA-N 2 1 281.400 -0.245 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cnon3)C2)C1 ZINC001027216870 799033633 /nfs/dbraw/zinc/03/36/33/799033633.db2.gz YNWOBYISTSALSW-RYUDHWBXSA-N 2 1 293.371 -0.041 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027333611 799040278 /nfs/dbraw/zinc/04/02/78/799040278.db2.gz YNSYUFBGDTWPFY-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027333611 799040283 /nfs/dbraw/zinc/04/02/83/799040283.db2.gz YNSYUFBGDTWPFY-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001027333611 799040288 /nfs/dbraw/zinc/04/02/88/799040288.db2.gz YNSYUFBGDTWPFY-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001027333611 799040290 /nfs/dbraw/zinc/04/02/90/799040290.db2.gz YNSYUFBGDTWPFY-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCO)C2)O1 ZINC001027463535 799049869 /nfs/dbraw/zinc/04/98/69/799049869.db2.gz CMGOCAGOCOXAAC-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCO)C2)O1 ZINC001027463535 799049873 /nfs/dbraw/zinc/04/98/73/799049873.db2.gz CMGOCAGOCOXAAC-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CCO)C2)O1 ZINC001027463535 799049879 /nfs/dbraw/zinc/04/98/79/799049879.db2.gz CMGOCAGOCOXAAC-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCO)C2)O1 ZINC001027463535 799049884 /nfs/dbraw/zinc/04/98/84/799049884.db2.gz CMGOCAGOCOXAAC-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+](C)CC(N)=O)C2)C1 ZINC001027575755 799058991 /nfs/dbraw/zinc/05/89/91/799058991.db2.gz DJNNBMLFUDIMRO-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH+](C)CC(N)=O)C2)C1 ZINC001027575755 799058993 /nfs/dbraw/zinc/05/89/93/799058993.db2.gz DJNNBMLFUDIMRO-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)C1 ZINC001027575755 799058995 /nfs/dbraw/zinc/05/89/95/799058995.db2.gz DJNNBMLFUDIMRO-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC001027575755 799058998 /nfs/dbraw/zinc/05/89/98/799058998.db2.gz DJNNBMLFUDIMRO-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCO)O1 ZINC001027965376 799098711 /nfs/dbraw/zinc/09/87/11/799098711.db2.gz AIZPTJXWQPBXSP-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCO)O1 ZINC001027965376 799098720 /nfs/dbraw/zinc/09/87/20/799098720.db2.gz AIZPTJXWQPBXSP-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCO)O1 ZINC001027965376 799098727 /nfs/dbraw/zinc/09/87/27/799098727.db2.gz AIZPTJXWQPBXSP-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCO)O1 ZINC001027965376 799098735 /nfs/dbraw/zinc/09/87/35/799098735.db2.gz AIZPTJXWQPBXSP-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028112864 799111470 /nfs/dbraw/zinc/11/14/70/799111470.db2.gz YKEVIKAHUPQUNV-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028112864 799111473 /nfs/dbraw/zinc/11/14/73/799111473.db2.gz YKEVIKAHUPQUNV-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC001028320571 799123507 /nfs/dbraw/zinc/12/35/07/799123507.db2.gz SOKWOFSEJCEBMB-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001028320571 799123509 /nfs/dbraw/zinc/12/35/09/799123509.db2.gz SOKWOFSEJCEBMB-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001028320571 799123514 /nfs/dbraw/zinc/12/35/14/799123514.db2.gz SOKWOFSEJCEBMB-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001028550135 799151283 /nfs/dbraw/zinc/15/12/83/799151283.db2.gz ILUBURGONXAHIA-IJLUTSLNSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001028550135 799151289 /nfs/dbraw/zinc/15/12/89/799151289.db2.gz ILUBURGONXAHIA-IJLUTSLNSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001028550135 799151292 /nfs/dbraw/zinc/15/12/92/799151292.db2.gz ILUBURGONXAHIA-IJLUTSLNSA-N 2 1 282.388 -0.750 20 0 CBADMP NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028546330 799151541 /nfs/dbraw/zinc/15/15/41/799151541.db2.gz ZEBNVPNOTCZRTI-WCQYABFASA-N 2 1 294.399 -0.748 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001028635696 799156257 /nfs/dbraw/zinc/15/62/57/799156257.db2.gz DWDFUUDQMBWSDZ-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001028635696 799156260 /nfs/dbraw/zinc/15/62/60/799156260.db2.gz DWDFUUDQMBWSDZ-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001028635696 799156262 /nfs/dbraw/zinc/15/62/62/799156262.db2.gz DWDFUUDQMBWSDZ-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028776851 799169305 /nfs/dbraw/zinc/16/93/05/799169305.db2.gz VSVYAMPDABZLFT-GFCCVEGCSA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028778812 799169632 /nfs/dbraw/zinc/16/96/32/799169632.db2.gz MFTVFTKKWNYTJM-NWDGAFQWSA-N 2 1 296.415 -0.360 20 0 CBADMP O=C(NC[C@H]1CC[N@H+](CCCO)C1)C12CC[NH+](CC1)C2 ZINC001028930197 799181117 /nfs/dbraw/zinc/18/11/17/799181117.db2.gz BBJSMTHNYNAGAX-CYBMUJFWSA-N 2 1 281.400 -0.097 20 0 CBADMP NC(=O)C[N@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028933627 799181440 /nfs/dbraw/zinc/18/14/40/799181440.db2.gz ROXHZADBANTKQF-LLVKDONJSA-N 2 1 280.372 -0.994 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCOC)C2)C1 ZINC001028996846 799186431 /nfs/dbraw/zinc/18/64/31/799186431.db2.gz KHBQFYVRKPLZTN-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCOC)C2)C1 ZINC001028996846 799186434 /nfs/dbraw/zinc/18/64/34/799186434.db2.gz KHBQFYVRKPLZTN-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](CCOC)C2)C1 ZINC001028996846 799186437 /nfs/dbraw/zinc/18/64/37/799186437.db2.gz KHBQFYVRKPLZTN-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC001028996846 799186439 /nfs/dbraw/zinc/18/64/39/799186439.db2.gz KHBQFYVRKPLZTN-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP C[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031585192 799513141 /nfs/dbraw/zinc/51/31/41/799513141.db2.gz RTXOZECDOACLPH-CMPLNLGQSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031584615 799514282 /nfs/dbraw/zinc/51/42/82/799514282.db2.gz GZIHIQLZBWFVOC-NWDGAFQWSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031584615 799514284 /nfs/dbraw/zinc/51/42/84/799514284.db2.gz GZIHIQLZBWFVOC-NWDGAFQWSA-N 2 1 282.388 -0.608 20 0 CBADMP O=C(NCC1C[NH+](CCO)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031669640 799530802 /nfs/dbraw/zinc/53/08/02/799530802.db2.gz PUPTZKFESMMGAT-KGLIPLIRSA-N 2 1 281.400 -0.099 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681253 799532036 /nfs/dbraw/zinc/53/20/36/799532036.db2.gz KLUDTFMKLAAOKB-NQBHXWOUSA-N 2 1 296.415 -0.491 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681253 799532040 /nfs/dbraw/zinc/53/20/40/799532040.db2.gz KLUDTFMKLAAOKB-NQBHXWOUSA-N 2 1 296.415 -0.491 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031688245 799533293 /nfs/dbraw/zinc/53/32/93/799533293.db2.gz BGEFXVMLQLSOLD-UONOGXRCSA-N 2 1 297.399 -0.456 20 0 CBADMP O=C(NCC1C[NH+](CCCO)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688227 799533982 /nfs/dbraw/zinc/53/39/82/799533982.db2.gz ATDJGQLZPRXDJQ-ZIAGYGMSSA-N 2 1 297.399 -0.720 20 0 CBADMP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031776317 799541998 /nfs/dbraw/zinc/54/19/98/799541998.db2.gz IBIFDRPQQJTAOS-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031772413 799542602 /nfs/dbraw/zinc/54/26/02/799542602.db2.gz TXBAEHQQDNNABB-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@H](C)O)C2)C1 ZINC001031921523 799562600 /nfs/dbraw/zinc/56/26/00/799562600.db2.gz RWAVCAKUTCWMCO-JSGCOSHPSA-N 2 1 299.415 -0.476 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031977424 799568523 /nfs/dbraw/zinc/56/85/23/799568523.db2.gz ZPIFJXNHWJORTJ-YPMHNXCESA-N 2 1 269.389 -0.122 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130998 799584784 /nfs/dbraw/zinc/58/47/84/799584784.db2.gz DQBBPPFVKDXKOD-GFCCVEGCSA-N 2 1 294.399 -0.606 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032185599 799589912 /nfs/dbraw/zinc/58/99/12/799589912.db2.gz AGOIAQMPHVJDOC-LBPRGKRZSA-N 2 1 255.362 -0.368 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCn3cccn3)C2)C1 ZINC001032186740 799592759 /nfs/dbraw/zinc/59/27/59/799592759.db2.gz VLHBPJWKYCCMQR-CQSZACIVSA-N 2 1 291.399 -0.117 20 0 CBADMP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032405656 799624069 /nfs/dbraw/zinc/62/40/69/799624069.db2.gz NBUIBUAYEPTVPC-KKUMJFAQSA-N 2 1 293.411 -0.004 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO)C1CC1 ZINC001032446161 799629400 /nfs/dbraw/zinc/62/94/00/799629400.db2.gz XGYLFUMDTVLEMF-AVGNSLFASA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO)C1CC1 ZINC001032446161 799629404 /nfs/dbraw/zinc/62/94/04/799629404.db2.gz XGYLFUMDTVLEMF-AVGNSLFASA-N 2 1 267.373 -0.396 20 0 CBADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO)[NH+](C)C ZINC001032473977 799633261 /nfs/dbraw/zinc/63/32/61/799633261.db2.gz JYDYODPCYHCDBT-SDDRHHMPSA-N 2 1 255.362 -0.396 20 0 CBADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO)[NH+](C)C ZINC001032473977 799633264 /nfs/dbraw/zinc/63/32/64/799633264.db2.gz JYDYODPCYHCDBT-SDDRHHMPSA-N 2 1 255.362 -0.396 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032627984 799650403 /nfs/dbraw/zinc/65/04/03/799650403.db2.gz OIMGMNORDVOUAT-RDBSUJKOSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032627984 799650408 /nfs/dbraw/zinc/65/04/08/799650408.db2.gz OIMGMNORDVOUAT-RDBSUJKOSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)C1 ZINC001032627984 799650411 /nfs/dbraw/zinc/65/04/11/799650411.db2.gz OIMGMNORDVOUAT-RDBSUJKOSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)C1 ZINC001032627984 799650413 /nfs/dbraw/zinc/65/04/13/799650413.db2.gz OIMGMNORDVOUAT-RDBSUJKOSA-N 2 1 281.400 -0.004 20 0 CBADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCO)C12CC[NH+](CC1)C2 ZINC001032733956 799662684 /nfs/dbraw/zinc/66/26/84/799662684.db2.gz ODSCUHIXWBJEPI-RYUDHWBXSA-N 2 1 265.357 -0.640 20 0 CBADMP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CCO)C12CC[NH+](CC1)C2 ZINC001032733956 799662686 /nfs/dbraw/zinc/66/26/86/799662686.db2.gz ODSCUHIXWBJEPI-RYUDHWBXSA-N 2 1 265.357 -0.640 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733934 799662729 /nfs/dbraw/zinc/66/27/29/799662729.db2.gz NMQJBFQZMYJPDW-AVGNSLFASA-N 2 1 279.384 -0.252 20 0 CBADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001032958884 799697700 /nfs/dbraw/zinc/69/77/00/799697700.db2.gz BWRBKBOFULOVPP-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCCO)C1 ZINC001032958884 799697706 /nfs/dbraw/zinc/69/77/06/799697706.db2.gz BWRBKBOFULOVPP-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCCO)C1 ZINC001032958884 799697710 /nfs/dbraw/zinc/69/77/10/799697710.db2.gz BWRBKBOFULOVPP-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCCO)C1 ZINC001032982757 799700317 /nfs/dbraw/zinc/70/03/17/799700317.db2.gz XRLYIBKBNNQUMT-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001032982757 799700319 /nfs/dbraw/zinc/70/03/19/799700319.db2.gz XRLYIBKBNNQUMT-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCCO)C1 ZINC001032982757 799700323 /nfs/dbraw/zinc/70/03/23/799700323.db2.gz XRLYIBKBNNQUMT-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCCO)C1 ZINC001032982757 799700325 /nfs/dbraw/zinc/70/03/25/799700325.db2.gz XRLYIBKBNNQUMT-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657909 799775428 /nfs/dbraw/zinc/77/54/28/799775428.db2.gz OIGOLZCJRSFRQH-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033663170 799777441 /nfs/dbraw/zinc/77/74/41/799777441.db2.gz UNGUNFMIBJSGNH-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCO)C1 ZINC001033663170 799777446 /nfs/dbraw/zinc/77/74/46/799777446.db2.gz UNGUNFMIBJSGNH-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCO)C1 ZINC001033663170 799777449 /nfs/dbraw/zinc/77/74/49/799777449.db2.gz UNGUNFMIBJSGNH-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033664274 799778362 /nfs/dbraw/zinc/77/83/62/799778362.db2.gz FAFXFVKJJUXHMD-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@@H]1CC[N@H+](CCO)C1 ZINC001034047311 799811287 /nfs/dbraw/zinc/81/12/87/799811287.db2.gz GCSOACAOWDOSGP-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001034047311 799811293 /nfs/dbraw/zinc/81/12/93/799811293.db2.gz GCSOACAOWDOSGP-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@@H]1CC[NH+](CCO)C1 ZINC001034047311 799811300 /nfs/dbraw/zinc/81/13/00/799811300.db2.gz GCSOACAOWDOSGP-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@@H]1CC[NH+](CCO)C1 ZINC001034047311 799811309 /nfs/dbraw/zinc/81/13/09/799811309.db2.gz GCSOACAOWDOSGP-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](CCO)C2)O1 ZINC001034271449 799825224 /nfs/dbraw/zinc/82/52/24/799825224.db2.gz IYHPBZLGCFICMA-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](CCO)C2)O1 ZINC001034271449 799825232 /nfs/dbraw/zinc/82/52/32/799825232.db2.gz IYHPBZLGCFICMA-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCO)C2)O1 ZINC001034271449 799825241 /nfs/dbraw/zinc/82/52/41/799825241.db2.gz IYHPBZLGCFICMA-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)O1 ZINC001034271449 799825250 /nfs/dbraw/zinc/82/52/50/799825250.db2.gz IYHPBZLGCFICMA-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034485902 799841962 /nfs/dbraw/zinc/84/19/62/799841962.db2.gz HEARUWQEHBZJOG-LBPRGKRZSA-N 2 1 294.399 -0.462 20 0 CBADMP NC(=O)C[N@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034485902 799841965 /nfs/dbraw/zinc/84/19/65/799841965.db2.gz HEARUWQEHBZJOG-LBPRGKRZSA-N 2 1 294.399 -0.462 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034525406 799845024 /nfs/dbraw/zinc/84/50/24/799845024.db2.gz MDXFZGFSYRYVAC-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034525406 799845029 /nfs/dbraw/zinc/84/50/29/799845029.db2.gz MDXFZGFSYRYVAC-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)C1 ZINC001034525406 799845033 /nfs/dbraw/zinc/84/50/33/799845033.db2.gz MDXFZGFSYRYVAC-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)C1 ZINC001034525406 799845037 /nfs/dbraw/zinc/84/50/37/799845037.db2.gz MDXFZGFSYRYVAC-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCO)C2)C1 ZINC001034531059 799847025 /nfs/dbraw/zinc/84/70/25/799847025.db2.gz CXEUPZPBPAYYFW-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCO)C2)C1 ZINC001034531059 799847031 /nfs/dbraw/zinc/84/70/31/799847031.db2.gz CXEUPZPBPAYYFW-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCO)C2)C1 ZINC001034531059 799847036 /nfs/dbraw/zinc/84/70/36/799847036.db2.gz CXEUPZPBPAYYFW-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCO)C2)C1 ZINC001034531059 799847037 /nfs/dbraw/zinc/84/70/37/799847037.db2.gz CXEUPZPBPAYYFW-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001034617351 799849119 /nfs/dbraw/zinc/84/91/19/799849119.db2.gz OZXSPDXXRQTGRS-XUXIUFHCSA-N 2 1 299.415 -0.285 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001034617351 799849123 /nfs/dbraw/zinc/84/91/23/799849123.db2.gz OZXSPDXXRQTGRS-XUXIUFHCSA-N 2 1 299.415 -0.285 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034739185 799854185 /nfs/dbraw/zinc/85/41/85/799854185.db2.gz YUMPTMVPAOUUDM-CYDGBPFRSA-N 2 1 296.415 -0.314 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)C1 ZINC001034797975 799858242 /nfs/dbraw/zinc/85/82/42/799858242.db2.gz UUALDCBRZNBZNG-MGPQQGTHSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)C1 ZINC001034797975 799858245 /nfs/dbraw/zinc/85/82/45/799858245.db2.gz UUALDCBRZNBZNG-MGPQQGTHSA-N 2 1 299.415 -0.284 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001035325492 799892436 /nfs/dbraw/zinc/89/24/36/799892436.db2.gz BDPGCHRDWHZFBB-CHWSQXEVSA-N 2 1 285.388 -0.458 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001035325492 799892444 /nfs/dbraw/zinc/89/24/44/799892444.db2.gz BDPGCHRDWHZFBB-CHWSQXEVSA-N 2 1 285.388 -0.458 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001036294477 799987111 /nfs/dbraw/zinc/98/71/11/799987111.db2.gz RIRDHASESVTYMV-PWSUYJOCSA-N 2 1 293.371 -0.497 20 0 CBADMP CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038141221 800062873 /nfs/dbraw/zinc/06/28/73/800062873.db2.gz KQZRJQNJZTZRLQ-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038141221 800062882 /nfs/dbraw/zinc/06/28/82/800062882.db2.gz KQZRJQNJZTZRLQ-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038141221 800062893 /nfs/dbraw/zinc/06/28/93/800062893.db2.gz KQZRJQNJZTZRLQ-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038141221 800062900 /nfs/dbraw/zinc/06/29/00/800062900.db2.gz KQZRJQNJZTZRLQ-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CCO)n1 ZINC001038261229 800089211 /nfs/dbraw/zinc/08/92/11/800089211.db2.gz YKPDMHYVBPFLTC-LBPRGKRZSA-N 2 1 295.387 -0.759 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CC[N@H+]2CCO)n1 ZINC001038261229 800089216 /nfs/dbraw/zinc/08/92/16/800089216.db2.gz YKPDMHYVBPFLTC-LBPRGKRZSA-N 2 1 295.387 -0.759 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001038628111 801229502 /nfs/dbraw/zinc/22/95/02/801229502.db2.gz NDPJRFBTIHLCPY-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCO)C1 ZINC001038628111 801229510 /nfs/dbraw/zinc/22/95/10/801229510.db2.gz NDPJRFBTIHLCPY-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCCO)C1 ZINC001038628111 801229515 /nfs/dbraw/zinc/22/95/15/801229515.db2.gz NDPJRFBTIHLCPY-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001038628110 801230634 /nfs/dbraw/zinc/23/06/34/801230634.db2.gz NDPJRFBTIHLCPY-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCCO)C1 ZINC001038628110 801230638 /nfs/dbraw/zinc/23/06/38/801230638.db2.gz NDPJRFBTIHLCPY-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+]2CCCO)C1 ZINC001038628110 801230642 /nfs/dbraw/zinc/23/06/42/801230642.db2.gz NDPJRFBTIHLCPY-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCO)CC1 ZINC001038672375 801236101 /nfs/dbraw/zinc/23/61/01/801236101.db2.gz WGQJVXHKOGSQDA-GFCCVEGCSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCO)CC1 ZINC001038672375 801236104 /nfs/dbraw/zinc/23/61/04/801236104.db2.gz WGQJVXHKOGSQDA-GFCCVEGCSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001039028796 801282047 /nfs/dbraw/zinc/28/20/47/801282047.db2.gz QWVKBLXLJKWCNL-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCCO)C1 ZINC001039028796 801282048 /nfs/dbraw/zinc/28/20/48/801282048.db2.gz QWVKBLXLJKWCNL-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCCO)C1 ZINC001039028796 801282049 /nfs/dbraw/zinc/28/20/49/801282049.db2.gz QWVKBLXLJKWCNL-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCO)C3)C2)C1 ZINC001041830386 801421650 /nfs/dbraw/zinc/42/16/50/801421650.db2.gz GWWBJALIKLKBKN-UKRRQHHQSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](CCO)C3)C2)C1 ZINC001041830386 801421654 /nfs/dbraw/zinc/42/16/54/801421654.db2.gz GWWBJALIKLKBKN-UKRRQHHQSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCO)C3)C2)C1 ZINC001041830386 801421657 /nfs/dbraw/zinc/42/16/57/801421657.db2.gz GWWBJALIKLKBKN-UKRRQHHQSA-N 2 1 281.400 -0.145 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001043881583 801599194 /nfs/dbraw/zinc/59/91/94/801599194.db2.gz MLVXXPBIJCMASO-AAEUAGOBSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001043881583 801599196 /nfs/dbraw/zinc/59/91/96/801599196.db2.gz MLVXXPBIJCMASO-AAEUAGOBSA-N 2 1 269.389 -0.291 20 0 CBADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CCCO)C1 ZINC001044186472 801626549 /nfs/dbraw/zinc/62/65/49/801626549.db2.gz PGDPBWXUVYHYCE-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCCO)C1 ZINC001044186472 801626557 /nfs/dbraw/zinc/62/65/57/801626557.db2.gz PGDPBWXUVYHYCE-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CCCO)C1 ZINC001044290501 801637535 /nfs/dbraw/zinc/63/75/35/801637535.db2.gz SXZJGTYWGQQLFJ-NSHDSACASA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCCO)C1 ZINC001044290501 801637538 /nfs/dbraw/zinc/63/75/38/801637538.db2.gz SXZJGTYWGQQLFJ-NSHDSACASA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCCO)C1 ZINC001044290500 801637818 /nfs/dbraw/zinc/63/78/18/801637818.db2.gz SXZJGTYWGQQLFJ-LLVKDONJSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCCO)C1 ZINC001044290500 801637822 /nfs/dbraw/zinc/63/78/22/801637822.db2.gz SXZJGTYWGQQLFJ-LLVKDONJSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044292507 801637935 /nfs/dbraw/zinc/63/79/35/801637935.db2.gz OPQIZIOPHOBJJU-GHMZBOCLSA-N 2 1 255.362 -0.539 20 0 CBADMP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044292507 801637941 /nfs/dbraw/zinc/63/79/41/801637941.db2.gz OPQIZIOPHOBJJU-GHMZBOCLSA-N 2 1 255.362 -0.539 20 0 CBADMP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044292513 801638055 /nfs/dbraw/zinc/63/80/55/801638055.db2.gz OPQIZIOPHOBJJU-WDEREUQCSA-N 2 1 255.362 -0.539 20 0 CBADMP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044292513 801638058 /nfs/dbraw/zinc/63/80/58/801638058.db2.gz OPQIZIOPHOBJJU-WDEREUQCSA-N 2 1 255.362 -0.539 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001045389079 801694186 /nfs/dbraw/zinc/69/41/86/801694186.db2.gz FUIQDUQQXQEXMW-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045639645 801707542 /nfs/dbraw/zinc/70/75/42/801707542.db2.gz ONHQRPKDPHFFKR-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001045890874 801715447 /nfs/dbraw/zinc/71/54/47/801715447.db2.gz ULOXINQSZXDOEL-MJBXVCDLSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001045890874 801715452 /nfs/dbraw/zinc/71/54/52/801715452.db2.gz ULOXINQSZXDOEL-MJBXVCDLSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001045890874 801715459 /nfs/dbraw/zinc/71/54/59/801715459.db2.gz ULOXINQSZXDOEL-MJBXVCDLSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001046330070 801753873 /nfs/dbraw/zinc/75/38/73/801753873.db2.gz WADRVUKYVXRGSM-BZPMIXESSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)CC[N@H+]1C ZINC001046330070 801753865 /nfs/dbraw/zinc/75/38/65/801753865.db2.gz WADRVUKYVXRGSM-BZPMIXESSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCO)C2)CC[NH+]1C ZINC001046330070 801753868 /nfs/dbraw/zinc/75/38/68/801753868.db2.gz WADRVUKYVXRGSM-BZPMIXESSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)C1 ZINC001046569007 801774990 /nfs/dbraw/zinc/77/49/90/801774990.db2.gz XALILFBICUSAGH-DZGCQCFKSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)C1 ZINC001046569007 801774991 /nfs/dbraw/zinc/77/49/91/801774991.db2.gz XALILFBICUSAGH-DZGCQCFKSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@H+](CCO)C2)C1 ZINC001046569007 801774994 /nfs/dbraw/zinc/77/49/94/801774994.db2.gz XALILFBICUSAGH-DZGCQCFKSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)C1 ZINC001046569007 801774995 /nfs/dbraw/zinc/77/49/95/801774995.db2.gz XALILFBICUSAGH-DZGCQCFKSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)C1 ZINC001046569011 801776499 /nfs/dbraw/zinc/77/64/99/801776499.db2.gz XALILFBICUSAGH-HIFRSBDPSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)C1 ZINC001046569011 801776502 /nfs/dbraw/zinc/77/65/02/801776502.db2.gz XALILFBICUSAGH-HIFRSBDPSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCO)C2)C1 ZINC001046569011 801776505 /nfs/dbraw/zinc/77/65/05/801776505.db2.gz XALILFBICUSAGH-HIFRSBDPSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)C1 ZINC001046569011 801776511 /nfs/dbraw/zinc/77/65/11/801776511.db2.gz XALILFBICUSAGH-HIFRSBDPSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001046831946 801796149 /nfs/dbraw/zinc/79/61/49/801796149.db2.gz SPOJQXVCXICNCJ-GXFFZTMASA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001046831946 801796154 /nfs/dbraw/zinc/79/61/54/801796154.db2.gz SPOJQXVCXICNCJ-GXFFZTMASA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)C1 ZINC001046831946 801796158 /nfs/dbraw/zinc/79/61/58/801796158.db2.gz SPOJQXVCXICNCJ-GXFFZTMASA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)C1 ZINC001046831946 801796162 /nfs/dbraw/zinc/79/61/62/801796162.db2.gz SPOJQXVCXICNCJ-GXFFZTMASA-N 2 1 268.361 -0.996 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046830946 801796541 /nfs/dbraw/zinc/79/65/41/801796541.db2.gz CCXQKSCMKPPLCD-SWLSCSKDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046830946 801796547 /nfs/dbraw/zinc/79/65/47/801796547.db2.gz CCXQKSCMKPPLCD-SWLSCSKDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046830946 801796551 /nfs/dbraw/zinc/79/65/51/801796551.db2.gz CCXQKSCMKPPLCD-SWLSCSKDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046830946 801796560 /nfs/dbraw/zinc/79/65/60/801796560.db2.gz CCXQKSCMKPPLCD-SWLSCSKDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CCOC)C2)C1 ZINC001046845905 801797854 /nfs/dbraw/zinc/79/78/54/801797854.db2.gz PHHMRGOUQNCVKV-DZGCQCFKSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CCOC)C2)C1 ZINC001046845905 801797859 /nfs/dbraw/zinc/79/78/59/801797859.db2.gz PHHMRGOUQNCVKV-DZGCQCFKSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@H+](CCOC)C2)C1 ZINC001046845905 801797866 /nfs/dbraw/zinc/79/78/66/801797866.db2.gz PHHMRGOUQNCVKV-DZGCQCFKSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCOC)C2)C1 ZINC001046845905 801797872 /nfs/dbraw/zinc/79/78/72/801797872.db2.gz PHHMRGOUQNCVKV-DZGCQCFKSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)C1 ZINC001046845200 801798393 /nfs/dbraw/zinc/79/83/93/801798393.db2.gz JDPNQYMGJYBVMI-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)C1 ZINC001046845200 801798397 /nfs/dbraw/zinc/79/83/97/801798397.db2.gz JDPNQYMGJYBVMI-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@H+](CCO)C2)C1 ZINC001046845200 801798402 /nfs/dbraw/zinc/79/84/02/801798402.db2.gz JDPNQYMGJYBVMI-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)C1 ZINC001046845200 801798407 /nfs/dbraw/zinc/79/84/07/801798407.db2.gz JDPNQYMGJYBVMI-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCOC)C2)C1 ZINC001046845906 801798856 /nfs/dbraw/zinc/79/88/56/801798856.db2.gz PHHMRGOUQNCVKV-HIFRSBDPSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCOC)C2)C1 ZINC001046845906 801798858 /nfs/dbraw/zinc/79/88/58/801798858.db2.gz PHHMRGOUQNCVKV-HIFRSBDPSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCOC)C2)C1 ZINC001046845906 801798860 /nfs/dbraw/zinc/79/88/60/801798860.db2.gz PHHMRGOUQNCVKV-HIFRSBDPSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCOC)C2)C1 ZINC001046845906 801798865 /nfs/dbraw/zinc/79/88/65/801798865.db2.gz PHHMRGOUQNCVKV-HIFRSBDPSA-N 2 1 299.415 -0.066 20 0 CBADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047333513 801840238 /nfs/dbraw/zinc/84/02/38/801840238.db2.gz HTDGMODENRARMQ-MELADBBJSA-N 2 1 297.399 -0.770 20 0 CBADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047333513 801840247 /nfs/dbraw/zinc/84/02/47/801840247.db2.gz HTDGMODENRARMQ-MELADBBJSA-N 2 1 297.399 -0.770 20 0 CBADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001047333513 801840251 /nfs/dbraw/zinc/84/02/51/801840251.db2.gz HTDGMODENRARMQ-MELADBBJSA-N 2 1 297.399 -0.770 20 0 CBADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001047333513 801840257 /nfs/dbraw/zinc/84/02/57/801840257.db2.gz HTDGMODENRARMQ-MELADBBJSA-N 2 1 297.399 -0.770 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](CCO)C[C@@H]2O)CC[N@H+]1C ZINC001047385236 801858969 /nfs/dbraw/zinc/85/89/69/801858969.db2.gz AZOWWJOEDDMVAL-CRWXNKLISA-N 2 1 299.415 -0.788 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)CC[NH+]1C ZINC001047385236 801858975 /nfs/dbraw/zinc/85/89/75/801858975.db2.gz AZOWWJOEDDMVAL-CRWXNKLISA-N 2 1 299.415 -0.788 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)CC[NH+]1C ZINC001047385236 801858980 /nfs/dbraw/zinc/85/89/80/801858980.db2.gz AZOWWJOEDDMVAL-CRWXNKLISA-N 2 1 299.415 -0.788 20 0 CBADMP CC(C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047428527 801869007 /nfs/dbraw/zinc/86/90/07/801869007.db2.gz KNZXSDVEGPLDJU-ZOBORPQBSA-N 2 1 299.415 -0.383 20 0 CBADMP CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047428527 801869012 /nfs/dbraw/zinc/86/90/12/801869012.db2.gz KNZXSDVEGPLDJU-ZOBORPQBSA-N 2 1 299.415 -0.383 20 0 CBADMP CC(C)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001047428527 801869015 /nfs/dbraw/zinc/86/90/15/801869015.db2.gz KNZXSDVEGPLDJU-ZOBORPQBSA-N 2 1 299.415 -0.383 20 0 CBADMP CC(C)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001047428527 801869019 /nfs/dbraw/zinc/86/90/19/801869019.db2.gz KNZXSDVEGPLDJU-ZOBORPQBSA-N 2 1 299.415 -0.383 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047458656 801877964 /nfs/dbraw/zinc/87/79/64/801877964.db2.gz YINPDNUYSKGXLV-STQMWFEESA-N 2 1 296.371 -0.923 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047458656 801877973 /nfs/dbraw/zinc/87/79/73/801877973.db2.gz YINPDNUYSKGXLV-STQMWFEESA-N 2 1 296.371 -0.923 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047545334 801896909 /nfs/dbraw/zinc/89/69/09/801896909.db2.gz QOUUMPUBLQNVSJ-WXHSDQCUSA-N 2 1 296.371 -0.509 20 0 CBADMP CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001047634084 801915703 /nfs/dbraw/zinc/91/57/03/801915703.db2.gz VOPMDIAFRGZLAB-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001047634084 801915707 /nfs/dbraw/zinc/91/57/07/801915707.db2.gz VOPMDIAFRGZLAB-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001047634084 801915712 /nfs/dbraw/zinc/91/57/12/801915712.db2.gz VOPMDIAFRGZLAB-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001047634084 801915717 /nfs/dbraw/zinc/91/57/17/801915717.db2.gz VOPMDIAFRGZLAB-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001048939297 801983195 /nfs/dbraw/zinc/98/31/95/801983195.db2.gz MXKXEJCTKYEMES-OKILXGFUSA-N 2 1 292.383 -0.036 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001048939297 801983200 /nfs/dbraw/zinc/98/32/00/801983200.db2.gz MXKXEJCTKYEMES-OKILXGFUSA-N 2 1 292.383 -0.036 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001049058399 801995287 /nfs/dbraw/zinc/99/52/87/801995287.db2.gz XVDRYRIJULPRFV-UPJWGTAASA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001049058399 801995293 /nfs/dbraw/zinc/99/52/93/801995293.db2.gz XVDRYRIJULPRFV-UPJWGTAASA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049058399 801995297 /nfs/dbraw/zinc/99/52/97/801995297.db2.gz XVDRYRIJULPRFV-UPJWGTAASA-N 2 1 294.399 -0.654 20 0 CBADMP 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 801995782 /nfs/dbraw/zinc/99/57/82/801995782.db2.gz KJHJDMWNRKINCD-FVCCEPFGSA-N 2 1 294.399 -0.940 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001049059960 801995787 /nfs/dbraw/zinc/99/57/87/801995787.db2.gz KJHJDMWNRKINCD-FVCCEPFGSA-N 2 1 294.399 -0.940 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049059960 801995791 /nfs/dbraw/zinc/99/57/91/801995791.db2.gz KJHJDMWNRKINCD-FVCCEPFGSA-N 2 1 294.399 -0.940 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001049060088 801996035 /nfs/dbraw/zinc/99/60/35/801996035.db2.gz MYWTZEUFCJFOTM-YIYPIFLZSA-N 2 1 281.400 -0.433 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049060088 801996038 /nfs/dbraw/zinc/99/60/38/801996038.db2.gz MYWTZEUFCJFOTM-YIYPIFLZSA-N 2 1 281.400 -0.433 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049060088 801996040 /nfs/dbraw/zinc/99/60/40/801996040.db2.gz MYWTZEUFCJFOTM-YIYPIFLZSA-N 2 1 281.400 -0.433 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)C[C@@H]2C1 ZINC001049059956 801996611 /nfs/dbraw/zinc/99/66/11/801996611.db2.gz KJGNYFZFRLCATC-APIJFGDWSA-N 2 1 295.427 -0.043 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049059956 801996616 /nfs/dbraw/zinc/99/66/16/801996616.db2.gz KJGNYFZFRLCATC-APIJFGDWSA-N 2 1 295.427 -0.043 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001049059956 801996623 /nfs/dbraw/zinc/99/66/23/801996623.db2.gz KJGNYFZFRLCATC-APIJFGDWSA-N 2 1 295.427 -0.043 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001049214949 802008164 /nfs/dbraw/zinc/00/81/64/802008164.db2.gz CYPFQAAYPWRUIW-UPJWGTAASA-N 2 1 267.373 -0.679 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)C1 ZINC001049214949 802008171 /nfs/dbraw/zinc/00/81/71/802008171.db2.gz CYPFQAAYPWRUIW-UPJWGTAASA-N 2 1 267.373 -0.679 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1 ZINC001049214949 802008178 /nfs/dbraw/zinc/00/81/78/802008178.db2.gz CYPFQAAYPWRUIW-UPJWGTAASA-N 2 1 267.373 -0.679 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCO)C1 ZINC001049894681 802042794 /nfs/dbraw/zinc/04/27/94/802042794.db2.gz GTHUSVWLGFQWDV-MJBXVCDLSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCO)C1 ZINC001049894681 802042801 /nfs/dbraw/zinc/04/28/01/802042801.db2.gz GTHUSVWLGFQWDV-MJBXVCDLSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCO)C1 ZINC001049894681 802042807 /nfs/dbraw/zinc/04/28/07/802042807.db2.gz GTHUSVWLGFQWDV-MJBXVCDLSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001049995000 802047506 /nfs/dbraw/zinc/04/75/06/802047506.db2.gz DWPSDGUENAQLHF-BFHYXJOUSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001049995000 802047514 /nfs/dbraw/zinc/04/75/14/802047514.db2.gz DWPSDGUENAQLHF-BFHYXJOUSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001049995000 802047517 /nfs/dbraw/zinc/04/75/17/802047517.db2.gz DWPSDGUENAQLHF-BFHYXJOUSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001050202798 802057451 /nfs/dbraw/zinc/05/74/51/802057451.db2.gz TYJJHJMSDWBAAE-MELADBBJSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001050202798 802057457 /nfs/dbraw/zinc/05/74/57/802057457.db2.gz TYJJHJMSDWBAAE-MELADBBJSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001050202798 802057462 /nfs/dbraw/zinc/05/74/62/802057462.db2.gz TYJJHJMSDWBAAE-MELADBBJSA-N 2 1 281.400 -0.147 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001050202793 802058396 /nfs/dbraw/zinc/05/83/96/802058396.db2.gz TYJJHJMSDWBAAE-BFHYXJOUSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CCC[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001050202793 802058402 /nfs/dbraw/zinc/05/84/02/802058402.db2.gz TYJJHJMSDWBAAE-BFHYXJOUSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001050202793 802058411 /nfs/dbraw/zinc/05/84/11/802058411.db2.gz TYJJHJMSDWBAAE-BFHYXJOUSA-N 2 1 281.400 -0.147 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001050462757 802064611 /nfs/dbraw/zinc/06/46/11/802064611.db2.gz ZCFINGOOKLDMSY-LBPRGKRZSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CCO)CC3)C1 ZINC001050753236 802072861 /nfs/dbraw/zinc/07/28/61/802072861.db2.gz FYIANKMWLGPRGU-ZDUSSCGKSA-N 2 1 281.400 -0.145 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC001051495119 802148740 /nfs/dbraw/zinc/14/87/40/802148740.db2.gz ZUAYBHOFRQFTLM-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC001051495126 802148853 /nfs/dbraw/zinc/14/88/53/802148853.db2.gz ZUAYBHOFRQFTLM-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051679830 802158366 /nfs/dbraw/zinc/15/83/66/802158366.db2.gz JEVODDKJLZLYHC-JHJVBQTASA-N 2 1 285.388 -0.458 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051679830 802158371 /nfs/dbraw/zinc/15/83/71/802158371.db2.gz JEVODDKJLZLYHC-JHJVBQTASA-N 2 1 285.388 -0.458 20 0 CBADMP CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680543 802158611 /nfs/dbraw/zinc/15/86/11/802158611.db2.gz OJWLLKXGOJYKJA-MGPQQGTHSA-N 2 1 299.415 -0.069 20 0 CBADMP CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680543 802158615 /nfs/dbraw/zinc/15/86/15/802158615.db2.gz OJWLLKXGOJYKJA-MGPQQGTHSA-N 2 1 299.415 -0.069 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052255212 802188827 /nfs/dbraw/zinc/18/88/27/802188827.db2.gz XNTPUSAEEASOMV-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052255212 802188829 /nfs/dbraw/zinc/18/88/29/802188829.db2.gz XNTPUSAEEASOMV-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052255212 802188832 /nfs/dbraw/zinc/18/88/32/802188832.db2.gz XNTPUSAEEASOMV-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCO)CC2)C1 ZINC001052947352 802224435 /nfs/dbraw/zinc/22/44/35/802224435.db2.gz OFDHJDVYORDBHG-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCO)CC2)C1 ZINC001052947352 802224442 /nfs/dbraw/zinc/22/44/42/802224442.db2.gz OFDHJDVYORDBHG-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](CCO)CC2)C1 ZINC001052947352 802224446 /nfs/dbraw/zinc/22/44/46/802224446.db2.gz OFDHJDVYORDBHG-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](CCO)CC2)C1 ZINC001052947352 802224451 /nfs/dbraw/zinc/22/44/51/802224451.db2.gz OFDHJDVYORDBHG-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052932803 802225941 /nfs/dbraw/zinc/22/59/41/802225941.db2.gz SEZZTKACKSFVGF-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)C1 ZINC001052932803 802225948 /nfs/dbraw/zinc/22/59/48/802225948.db2.gz SEZZTKACKSFVGF-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC001052932803 802225955 /nfs/dbraw/zinc/22/59/55/802225955.db2.gz SEZZTKACKSFVGF-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001054297512 802332415 /nfs/dbraw/zinc/33/24/15/802332415.db2.gz SCQDXOHSQFZIRF-UPJWGTAASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CCO ZINC001054734149 802366655 /nfs/dbraw/zinc/36/66/55/802366655.db2.gz ASXOYZMGWGZGOJ-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055577935 802398589 /nfs/dbraw/zinc/39/85/89/802398589.db2.gz FYDFBSUZILAIPU-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001148210302 814934403 /nfs/dbraw/zinc/93/44/03/814934403.db2.gz JUNYYMZFSWTBPA-GFCCVEGCSA-N 2 1 294.399 -0.639 20 0 CBADMP C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216408 814934702 /nfs/dbraw/zinc/93/47/02/814934702.db2.gz PONVBHMZGVMARD-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP [NH3+]CC[C@H]1CC[N@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC001119683964 812866014 /nfs/dbraw/zinc/86/60/14/812866014.db2.gz KHBPKPCVMBLYGP-VIFPVBQESA-N 2 1 262.317 -0.412 20 0 CBADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC001119683964 812866018 /nfs/dbraw/zinc/86/60/18/812866018.db2.gz KHBPKPCVMBLYGP-VIFPVBQESA-N 2 1 262.317 -0.412 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1CCC[NH2+]C1 ZINC001121930810 813092366 /nfs/dbraw/zinc/09/23/66/813092366.db2.gz UMEXOJWWDMDCAC-SRVKXCTJSA-N 2 1 252.362 -0.757 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1CCC[NH2+]C1 ZINC001121930811 813092388 /nfs/dbraw/zinc/09/23/88/813092388.db2.gz UMEXOJWWDMDCAC-WOPDTQHZSA-N 2 1 252.362 -0.757 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001122106925 813117874 /nfs/dbraw/zinc/11/78/74/813117874.db2.gz WCAHAPUZKLDXOK-UHFFFAOYSA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133345367 814246897 /nfs/dbraw/zinc/24/68/97/814246897.db2.gz BFMAEMXEOUSFCU-OLZOCXBDSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)C(=O)NC1CC1 ZINC001133833957 814304321 /nfs/dbraw/zinc/30/43/21/814304321.db2.gz KPEBOFZQZLYEGF-NEPJUHHUSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2ncnn2C)C1 ZINC001133842225 814304462 /nfs/dbraw/zinc/30/44/62/814304462.db2.gz HOALSAHMBPCRDG-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ncnn2C)C1 ZINC001133842225 814304470 /nfs/dbraw/zinc/30/44/70/814304470.db2.gz HOALSAHMBPCRDG-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP Cn1nnnc1C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148360680 814941167 /nfs/dbraw/zinc/94/11/67/814941167.db2.gz ZYIYAUSQLAEOBC-UHFFFAOYSA-N 2 1 283.380 -0.852 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+]([C@@H](C)C(N)=O)C2 ZINC001148548435 814949037 /nfs/dbraw/zinc/94/90/37/814949037.db2.gz SMDGKUTTXWCKGX-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(N)=O)C2 ZINC001148548435 814949041 /nfs/dbraw/zinc/94/90/41/814949041.db2.gz SMDGKUTTXWCKGX-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(N)=O)C2 ZINC001148548435 814949050 /nfs/dbraw/zinc/94/90/50/814949050.db2.gz SMDGKUTTXWCKGX-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001148571092 814951431 /nfs/dbraw/zinc/95/14/31/814951431.db2.gz VWMPRPOIRLDMHG-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001148611819 814952600 /nfs/dbraw/zinc/95/26/00/814952600.db2.gz OWJQUDTYQVTHAW-UHFFFAOYSA-N 2 1 299.415 -0.519 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001148643426 814953583 /nfs/dbraw/zinc/95/35/83/814953583.db2.gz ZZNBZEHQEVNUGM-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001148643187 814953854 /nfs/dbraw/zinc/95/38/54/814953854.db2.gz UDIFWZBBTLITCB-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001148642032 814954304 /nfs/dbraw/zinc/95/43/04/814954304.db2.gz CDJYYEHLZAWISL-LBPRGKRZSA-N 2 1 294.403 -0.187 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCn1cccn1 ZINC001148642729 814954371 /nfs/dbraw/zinc/95/43/71/814954371.db2.gz MLGMUURMWYFRNU-UHFFFAOYSA-N 2 1 267.377 -0.069 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001148643416 814954404 /nfs/dbraw/zinc/95/44/04/814954404.db2.gz ZISGQUCQHOCYAO-SNVBAGLBSA-N 2 1 258.366 -0.832 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001148638377 814954487 /nfs/dbraw/zinc/95/44/87/814954487.db2.gz GLIPNSSDLKCCSI-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001148638654 814954614 /nfs/dbraw/zinc/95/46/14/814954614.db2.gz LMZRNNFZIXSLRJ-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cnnn1CC ZINC001148639008 814955236 /nfs/dbraw/zinc/95/52/36/814955236.db2.gz XIIFHTSZBMFEEE-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP C[C@H](C[NH2+]CCO)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001321542858 803782587 /nfs/dbraw/zinc/78/25/87/803782587.db2.gz AAMSWRMRCKQVNT-NEPJUHHUSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@H](C[NH2+]CCCO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001321710494 803805361 /nfs/dbraw/zinc/80/53/61/803805361.db2.gz OUBCKAIFMJHUIP-VXGBXAGGSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H](C[NH2+]CCN1CCCC1=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001322074221 803856499 /nfs/dbraw/zinc/85/64/99/803856499.db2.gz YUJRDAGNUDFMMD-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001325153782 804249618 /nfs/dbraw/zinc/24/96/18/804249618.db2.gz NEFWUMVWSVYOFL-AWEZNQCLSA-N 2 1 267.373 -0.345 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001325380778 804280881 /nfs/dbraw/zinc/28/08/81/804280881.db2.gz PDYVPASBGOGZIM-QWHCGFSZSA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001325380777 804281002 /nfs/dbraw/zinc/28/10/02/804281002.db2.gz PDYVPASBGOGZIM-OLZOCXBDSA-N 2 1 294.399 -0.449 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001325734581 804311078 /nfs/dbraw/zinc/31/10/78/804311078.db2.gz ORWPHLUSGCLDMC-AGIUHOORSA-N 2 1 296.415 -0.156 20 0 CBADMP C[NH+](C)[C@H](C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1)C1CC1 ZINC001149842512 815011145 /nfs/dbraw/zinc/01/11/45/815011145.db2.gz VUFQXHWGMDAFGU-KBPBESRZSA-N 2 1 299.415 -0.474 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048354 815051638 /nfs/dbraw/zinc/05/16/38/815051638.db2.gz AGQFYFPZKLIPHJ-NSHDSACASA-N 2 1 270.377 -0.830 20 0 CBADMP CCCC[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001151065840 815056987 /nfs/dbraw/zinc/05/69/87/815056987.db2.gz NLNFATAENZXDNJ-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP CCn1c(C)nnc1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049013 815053370 /nfs/dbraw/zinc/05/33/70/815053370.db2.gz GZOSWHVYRSPLBN-LBPRGKRZSA-N 2 1 294.403 -0.236 20 0 CBADMP CCn1c(C)nnc1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049013 815053376 /nfs/dbraw/zinc/05/33/76/815053376.db2.gz GZOSWHVYRSPLBN-LBPRGKRZSA-N 2 1 294.403 -0.236 20 0 CBADMP Cn1nccc1CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151058403 815054387 /nfs/dbraw/zinc/05/43/87/815054387.db2.gz YWNUSKOXHYXWKD-LBPRGKRZSA-N 2 1 279.388 -0.380 20 0 CBADMP Cn1cncc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049443 815054888 /nfs/dbraw/zinc/05/48/88/815054888.db2.gz OZFIBAPQYUDEID-LLVKDONJSA-N 2 1 265.361 -0.422 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CCCC2)C1 ZINC001151049592 815055152 /nfs/dbraw/zinc/05/51/52/815055152.db2.gz SVZCOBLNMBABTO-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151058409 815055362 /nfs/dbraw/zinc/05/53/62/815055362.db2.gz ZASHBLGOKBMMEM-GFCCVEGCSA-N 2 1 273.377 -0.693 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001151066777 815056502 /nfs/dbraw/zinc/05/65/02/815056502.db2.gz YPRWQHWEYMQNCY-MNOVXSKESA-N 2 1 270.377 -0.879 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCCO[C@H]2CCOC2)C1 ZINC001151065689 815057160 /nfs/dbraw/zinc/05/71/60/815057160.db2.gz MVAWXHSTFAZTFI-KGLIPLIRSA-N 2 1 299.415 -0.161 20 0 CBADMP CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001151066979 815057190 /nfs/dbraw/zinc/05/71/90/815057190.db2.gz ZSBNTDRVTZLSGF-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001151066101 815057269 /nfs/dbraw/zinc/05/72/69/815057269.db2.gz QAZFTVQLYHTTQH-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP Cc1ncc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001151065176 815058015 /nfs/dbraw/zinc/05/80/15/815058015.db2.gz HXHVDMAIAUYSAV-ZDUSSCGKSA-N 2 1 277.372 -0.057 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001151073461 815058936 /nfs/dbraw/zinc/05/89/36/815058936.db2.gz LPLDORUUFRXPHB-VXGBXAGGSA-N 2 1 298.431 -0.053 20 0 CBADMP CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073937 815059016 /nfs/dbraw/zinc/05/90/16/815059016.db2.gz SSPBUMNAFYIFML-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151097810 815061010 /nfs/dbraw/zinc/06/10/10/815061010.db2.gz SKOQAHBUOBRTSV-UHFFFAOYSA-N 2 1 280.376 -0.400 20 0 CBADMP CO[C@@H](C)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151115355 815062089 /nfs/dbraw/zinc/06/20/89/815062089.db2.gz WCDAHMIFFNTBKQ-JTQLQIEISA-N 2 1 254.334 -0.068 20 0 CBADMP CCOCC[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147357 815063823 /nfs/dbraw/zinc/06/38/23/815063823.db2.gz KLFBZNSWZWBRND-UHFFFAOYSA-N 2 1 254.334 -0.066 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072542237 805307824 /nfs/dbraw/zinc/30/78/24/805307824.db2.gz NMAMHJCWEGZKEP-GFCCVEGCSA-N 2 1 267.373 -0.393 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072542237 805307832 /nfs/dbraw/zinc/30/78/32/805307832.db2.gz NMAMHJCWEGZKEP-GFCCVEGCSA-N 2 1 267.373 -0.393 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072542237 805307841 /nfs/dbraw/zinc/30/78/41/805307841.db2.gz NMAMHJCWEGZKEP-GFCCVEGCSA-N 2 1 267.373 -0.393 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCO)C2)C1CC1 ZINC001072814395 805337375 /nfs/dbraw/zinc/33/73/75/805337375.db2.gz CHVOBAAYFDWTRX-ZDUSSCGKSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072981957 805352530 /nfs/dbraw/zinc/35/25/30/805352530.db2.gz WURLXZSZJVERCV-CHWSQXEVSA-N 2 1 281.400 -0.289 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072981957 805352541 /nfs/dbraw/zinc/35/25/41/805352541.db2.gz WURLXZSZJVERCV-CHWSQXEVSA-N 2 1 281.400 -0.289 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072981957 805352552 /nfs/dbraw/zinc/35/25/52/805352552.db2.gz WURLXZSZJVERCV-CHWSQXEVSA-N 2 1 281.400 -0.289 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072981339 805353569 /nfs/dbraw/zinc/35/35/69/805353569.db2.gz DVSYSQNTSCKQNL-GFCCVEGCSA-N 2 1 294.399 -0.510 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072981339 805353578 /nfs/dbraw/zinc/35/35/78/805353578.db2.gz DVSYSQNTSCKQNL-GFCCVEGCSA-N 2 1 294.399 -0.510 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001072981339 805353588 /nfs/dbraw/zinc/35/35/88/805353588.db2.gz DVSYSQNTSCKQNL-GFCCVEGCSA-N 2 1 294.399 -0.510 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001072981339 805353598 /nfs/dbraw/zinc/35/35/98/805353598.db2.gz DVSYSQNTSCKQNL-GFCCVEGCSA-N 2 1 294.399 -0.510 20 0 CBADMP CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073564448 805387506 /nfs/dbraw/zinc/38/75/06/805387506.db2.gz YSHBUWQNVIPPMH-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073564448 805387513 /nfs/dbraw/zinc/38/75/13/805387513.db2.gz YSHBUWQNVIPPMH-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073564448 805387520 /nfs/dbraw/zinc/38/75/20/805387520.db2.gz YSHBUWQNVIPPMH-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073564448 805387531 /nfs/dbraw/zinc/38/75/31/805387531.db2.gz YSHBUWQNVIPPMH-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073891326 805422429 /nfs/dbraw/zinc/42/24/29/805422429.db2.gz OJUIZOYRTAVJQT-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](CCCO)CCCO2)C1 ZINC001073891326 805422431 /nfs/dbraw/zinc/42/24/31/805422431.db2.gz OJUIZOYRTAVJQT-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CCCO)CCCO2)C1 ZINC001073891326 805422435 /nfs/dbraw/zinc/42/24/35/805422435.db2.gz OJUIZOYRTAVJQT-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCO)[C@@H]2C)CC[N@H+]1C ZINC001074661718 805464717 /nfs/dbraw/zinc/46/47/17/805464717.db2.gz HVJIRDRQNNCUDU-XQHKEYJVSA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C)C(N)=O ZINC001074687094 805466009 /nfs/dbraw/zinc/46/60/09/805466009.db2.gz VYSIFSPHSOAMMN-MDZLAQPJSA-N 2 1 296.415 -0.077 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C ZINC001074746045 805469015 /nfs/dbraw/zinc/46/90/15/805469015.db2.gz KQVMZXXNPLOKPF-WOPDTQHZSA-N 2 1 293.371 -0.356 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001074971825 805478777 /nfs/dbraw/zinc/47/87/77/805478777.db2.gz AYGVAYHLLXBBSK-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)CC1 ZINC001076203843 805561251 /nfs/dbraw/zinc/56/12/51/805561251.db2.gz GARQOFDKBGFDMY-UONOGXRCSA-N 2 1 281.400 -0.147 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001151736880 815087737 /nfs/dbraw/zinc/08/77/37/815087737.db2.gz ADEAIJOUWLANLY-CYBMUJFWSA-N 2 1 295.387 -0.690 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001151736880 815087744 /nfs/dbraw/zinc/08/77/44/815087744.db2.gz ADEAIJOUWLANLY-CYBMUJFWSA-N 2 1 295.387 -0.690 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC2CCOCC2)C1 ZINC001151737407 815088080 /nfs/dbraw/zinc/08/80/80/815088080.db2.gz COIHRCIHVYBRPX-CQSZACIVSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC2CCOCC2)C1 ZINC001151737407 815088087 /nfs/dbraw/zinc/08/80/87/815088087.db2.gz COIHRCIHVYBRPX-CQSZACIVSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnoc2C)C1 ZINC001151738998 815089081 /nfs/dbraw/zinc/08/90/81/815089081.db2.gz JVUKHROQXSQCIA-CYBMUJFWSA-N 2 1 296.371 -0.090 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnoc2C)C1 ZINC001151738998 815089086 /nfs/dbraw/zinc/08/90/86/815089086.db2.gz JVUKHROQXSQCIA-CYBMUJFWSA-N 2 1 296.371 -0.090 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@H]2CCCO2)C1 ZINC001151740664 815089996 /nfs/dbraw/zinc/08/99/96/815089996.db2.gz WPWJTMTVFQDAMB-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@H]2CCCO2)C1 ZINC001151740664 815090003 /nfs/dbraw/zinc/09/00/03/815090003.db2.gz WPWJTMTVFQDAMB-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCCOC2)C1 ZINC001151748374 815090094 /nfs/dbraw/zinc/09/00/94/815090094.db2.gz DREHSHYRYRSPGX-ZIAGYGMSSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCCOC2)C1 ZINC001151748374 815090101 /nfs/dbraw/zinc/09/01/01/815090101.db2.gz DREHSHYRYRSPGX-ZIAGYGMSSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCCCO2)C1 ZINC001151740953 815090485 /nfs/dbraw/zinc/09/04/85/815090485.db2.gz ZYHMFXHIBQDSGT-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCCCO2)C1 ZINC001151740953 815090492 /nfs/dbraw/zinc/09/04/92/815090492.db2.gz ZYHMFXHIBQDSGT-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151756038 815092832 /nfs/dbraw/zinc/09/28/32/815092832.db2.gz HOVBGHRNYLKAKH-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151756038 815092839 /nfs/dbraw/zinc/09/28/39/815092839.db2.gz HOVBGHRNYLKAKH-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001152138148 815106586 /nfs/dbraw/zinc/10/65/86/815106586.db2.gz SPDRGWPKNDYOSF-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001152137540 815106875 /nfs/dbraw/zinc/10/68/75/815106875.db2.gz MHDHFTHEFFPMBB-PHIMTYICSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001152137540 815106882 /nfs/dbraw/zinc/10/68/82/815106882.db2.gz MHDHFTHEFFPMBB-PHIMTYICSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001152148416 815107915 /nfs/dbraw/zinc/10/79/15/815107915.db2.gz PPWKIYBUNVAWGJ-TXEJJXNPSA-N 2 1 284.404 -0.347 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340723 815116807 /nfs/dbraw/zinc/11/68/07/815116807.db2.gz VZWHBPNNXGRWKH-UHFFFAOYSA-N 2 1 294.403 -0.103 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152391539 815118840 /nfs/dbraw/zinc/11/88/40/815118840.db2.gz CIPFSAMXAWOPHI-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152391539 815118845 /nfs/dbraw/zinc/11/88/45/815118845.db2.gz CIPFSAMXAWOPHI-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152391539 815118850 /nfs/dbraw/zinc/11/88/50/815118850.db2.gz CIPFSAMXAWOPHI-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152391539 815118852 /nfs/dbraw/zinc/11/88/52/815118852.db2.gz CIPFSAMXAWOPHI-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152391974 815118965 /nfs/dbraw/zinc/11/89/65/815118965.db2.gz HFSDFKLJNCPKAB-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152391974 815118975 /nfs/dbraw/zinc/11/89/75/815118975.db2.gz HFSDFKLJNCPKAB-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152391974 815118980 /nfs/dbraw/zinc/11/89/80/815118980.db2.gz HFSDFKLJNCPKAB-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152391974 815118984 /nfs/dbraw/zinc/11/89/84/815118984.db2.gz HFSDFKLJNCPKAB-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001152426702 815121215 /nfs/dbraw/zinc/12/12/15/815121215.db2.gz LNUHJNHPQIQYJX-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001152427376 815121245 /nfs/dbraw/zinc/12/12/45/815121245.db2.gz YDWRTMCTIYYKLU-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)nn1 ZINC001152432556 815121440 /nfs/dbraw/zinc/12/14/40/815121440.db2.gz KXNLQOSPCRHKBZ-UHFFFAOYSA-N 2 1 282.392 -0.156 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)nn1 ZINC001152432556 815121443 /nfs/dbraw/zinc/12/14/43/815121443.db2.gz KXNLQOSPCRHKBZ-UHFFFAOYSA-N 2 1 282.392 -0.156 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001152426704 815121502 /nfs/dbraw/zinc/12/15/02/815121502.db2.gz LNUHJNHPQIQYJX-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1nncn1C ZINC001152439377 815121795 /nfs/dbraw/zinc/12/17/95/815121795.db2.gz JTNOXQNHHNNAMQ-UHFFFAOYSA-N 2 1 268.365 -0.639 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1nncn1C ZINC001152439377 815121800 /nfs/dbraw/zinc/12/18/00/815121800.db2.gz JTNOXQNHHNNAMQ-UHFFFAOYSA-N 2 1 268.365 -0.639 20 0 CBADMP CCN1CC[C@H]([NH2+]CCNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001152432545 815121969 /nfs/dbraw/zinc/12/19/69/815121969.db2.gz KKMFZCYQWUZDNN-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001152445625 815123276 /nfs/dbraw/zinc/12/32/76/815123276.db2.gz KQXOSCZOLNQXGR-LLVKDONJSA-N 2 1 284.404 -0.301 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001152459117 815124191 /nfs/dbraw/zinc/12/41/91/815124191.db2.gz ZDADISFPNKRLRH-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001152523314 815129272 /nfs/dbraw/zinc/12/92/72/815129272.db2.gz UOPOOSJDSLICQP-AWEZNQCLSA-N 2 1 292.383 -0.259 20 0 CBADMP CC[N@H+](CCCO)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152551065 815129469 /nfs/dbraw/zinc/12/94/69/815129469.db2.gz LDILKDBAXSWFRO-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](CCCO)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152551065 815129473 /nfs/dbraw/zinc/12/94/73/815129473.db2.gz LDILKDBAXSWFRO-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCCO)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152551065 815129477 /nfs/dbraw/zinc/12/94/77/815129477.db2.gz LDILKDBAXSWFRO-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCCO)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152551065 815129480 /nfs/dbraw/zinc/12/94/80/815129480.db2.gz LDILKDBAXSWFRO-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[C@@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)[NH+](C)C ZINC001153780153 815176499 /nfs/dbraw/zinc/17/64/99/815176499.db2.gz CBHYZYWBZXDDGD-XQQFMLRXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[NH+](C)C[C@@H]1COCCN1c1ncnc2c1C[NH2+]C2 ZINC001154967297 815253712 /nfs/dbraw/zinc/25/37/12/815253712.db2.gz HKFQBVADHSWBKD-SNVBAGLBSA-N 2 1 263.345 -0.153 20 0 CBADMP Nc1nc(N2CCC[C@H](N3CC(C[NH3+])C3)C2)cc[nH+]1 ZINC001155377236 815280742 /nfs/dbraw/zinc/28/07/42/815280742.db2.gz RFQVUVVHLFYOLC-NSHDSACASA-N 2 1 262.361 -0.082 20 0 CBADMP Nc1nc(N2CCC[C@@H](N3CC(C[NH3+])C3)C2)cc[nH+]1 ZINC001155377232 815280806 /nfs/dbraw/zinc/28/08/06/815280806.db2.gz RFQVUVVHLFYOLC-LLVKDONJSA-N 2 1 262.361 -0.082 20 0 CBADMP Nc1nc(NCc2nnc3n2CCC[NH2+]C3)cc[nH+]1 ZINC001155429539 815284494 /nfs/dbraw/zinc/28/44/94/815284494.db2.gz OBTZGHLGMNXAMA-UHFFFAOYSA-N 2 1 260.305 -0.244 20 0 CBADMP c1nc2c(c(N[C@H]3COCCC34C[NH2+]C4)n1)C[NH2+]C2 ZINC001155462790 815285141 /nfs/dbraw/zinc/28/51/41/815285141.db2.gz VGPOPIHJNNYLFU-NSHDSACASA-N 2 1 261.329 -0.130 20 0 CBADMP c1cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)nc(N2CCOCC2)[nH+]1 ZINC001155638270 815302326 /nfs/dbraw/zinc/30/23/26/815302326.db2.gz KLBQGXLMEIDWOB-MDZLAQPJSA-N 2 1 291.355 -0.146 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155790656 815312148 /nfs/dbraw/zinc/31/21/48/815312148.db2.gz LLPALFHWSAMVJE-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP Cn1nncc1C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155790708 815312168 /nfs/dbraw/zinc/31/21/68/815312168.db2.gz MOZMAXSKYZQEJN-GFCCVEGCSA-N 2 1 280.376 -0.495 20 0 CBADMP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155791886 815313601 /nfs/dbraw/zinc/31/36/01/815313601.db2.gz ZRCCBRDYAWSXHG-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155791553 815313661 /nfs/dbraw/zinc/31/36/61/815313661.db2.gz WNOPZONICGXSOF-LBPRGKRZSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001155810515 815314170 /nfs/dbraw/zinc/31/41/70/815314170.db2.gz CIXSTIGIYLEPJI-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001155813580 815315409 /nfs/dbraw/zinc/31/54/09/815315409.db2.gz SKDURGPDSYNYRR-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCc1cc(N(CC[NH3+])CCO)nc(N2CCOCC2)[nH+]1 ZINC001155952491 815325489 /nfs/dbraw/zinc/32/54/89/815325489.db2.gz KSHQNTLMVSYNQH-UHFFFAOYSA-N 2 1 295.387 -0.367 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156125171 815338288 /nfs/dbraw/zinc/33/82/88/815338288.db2.gz KGVLPDMUBVTIQN-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156125171 815338295 /nfs/dbraw/zinc/33/82/95/815338295.db2.gz KGVLPDMUBVTIQN-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCCF)C1 ZINC001156145098 815339732 /nfs/dbraw/zinc/33/97/32/815339732.db2.gz HWKNJAAQGKFZHN-LLVKDONJSA-N 2 1 261.341 -0.228 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCCF)C1 ZINC001156145098 815339739 /nfs/dbraw/zinc/33/97/39/815339739.db2.gz HWKNJAAQGKFZHN-LLVKDONJSA-N 2 1 261.341 -0.228 20 0 CBADMP CC[C@@H](C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)OC ZINC001156152211 815339774 /nfs/dbraw/zinc/33/97/74/815339774.db2.gz HUPONAGQUIJCLF-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@@H](C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)OC ZINC001156152211 815339780 /nfs/dbraw/zinc/33/97/80/815339780.db2.gz HUPONAGQUIJCLF-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP Cc1oncc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144225 815341019 /nfs/dbraw/zinc/34/10/19/815341019.db2.gz BUWUIZYYGYRAAV-CYBMUJFWSA-N 2 1 296.371 -0.090 20 0 CBADMP Cc1oncc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144225 815341025 /nfs/dbraw/zinc/34/10/25/815341025.db2.gz BUWUIZYYGYRAAV-CYBMUJFWSA-N 2 1 296.371 -0.090 20 0 CBADMP Cn1nccc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144518 815341105 /nfs/dbraw/zinc/34/11/05/815341105.db2.gz DSUUBUHHUUPERH-CYBMUJFWSA-N 2 1 295.387 -0.653 20 0 CBADMP Cn1nccc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144518 815341111 /nfs/dbraw/zinc/34/11/11/815341111.db2.gz DSUUBUHHUUPERH-CYBMUJFWSA-N 2 1 295.387 -0.653 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001156146338 815341729 /nfs/dbraw/zinc/34/17/29/815341729.db2.gz WMHWLIBSTHZNBA-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001156146338 815341736 /nfs/dbraw/zinc/34/17/36/815341736.db2.gz WMHWLIBSTHZNBA-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP C[NH+]1CCN(c2nccc(N3CC[C@@H]([NH3+])C3)n2)CC1 ZINC001156233321 815347668 /nfs/dbraw/zinc/34/76/68/815347668.db2.gz QDRKRCHOWYZYAH-LLVKDONJSA-N 2 1 262.361 -0.234 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086198751 810248827 /nfs/dbraw/zinc/24/88/27/810248827.db2.gz DUZDDLLIMKLGNY-RVMXOQNASA-N 2 1 269.389 -0.339 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086278507 810255243 /nfs/dbraw/zinc/25/52/43/810255243.db2.gz ZDHLEDKXORRMJG-FRRDWIJNSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086327737 810260730 /nfs/dbraw/zinc/26/07/30/810260730.db2.gz OSUSFVLHSVLQRC-FDYHWXHSSA-N 2 1 294.399 -0.547 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001086327894 810261136 /nfs/dbraw/zinc/26/11/36/810261136.db2.gz TTYQTFBAADPRSV-FDYHWXHSSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086327736 810261719 /nfs/dbraw/zinc/26/17/19/810261719.db2.gz OSUSFVLHSVLQRC-CYDGBPFRSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086400563 810267443 /nfs/dbraw/zinc/26/74/43/810267443.db2.gz MOSIYURZTGPSSM-ZUWCUPBKSA-N 2 1 299.415 -0.429 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086400563 810267446 /nfs/dbraw/zinc/26/74/46/810267446.db2.gz MOSIYURZTGPSSM-ZUWCUPBKSA-N 2 1 299.415 -0.429 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086478502 810273729 /nfs/dbraw/zinc/27/37/29/810273729.db2.gz QYMJANLNGVYRSQ-DDHJBXDOSA-N 2 1 282.388 -0.846 20 0 CBADMP CC[N@@H+](CCO)[C@H](C)CNC(=O)Cc1cncn1C ZINC001156384194 815356970 /nfs/dbraw/zinc/35/69/70/815356970.db2.gz ZYGKPCAGOPIEHV-LLVKDONJSA-N 2 1 268.361 -0.219 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CCO ZINC001087828883 810307092 /nfs/dbraw/zinc/30/70/92/810307092.db2.gz YFHCQMADODBGEH-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CCO ZINC001087828883 810307096 /nfs/dbraw/zinc/30/70/96/810307096.db2.gz YFHCQMADODBGEH-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCO ZINC001087828883 810307099 /nfs/dbraw/zinc/30/70/99/810307099.db2.gz YFHCQMADODBGEH-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088200073 810323405 /nfs/dbraw/zinc/32/34/05/810323405.db2.gz ONLZZOCTQXNVMP-UPJWGTAASA-N 2 1 294.399 -0.796 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088200073 810323412 /nfs/dbraw/zinc/32/34/12/810323412.db2.gz ONLZZOCTQXNVMP-UPJWGTAASA-N 2 1 294.399 -0.796 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088200073 810323418 /nfs/dbraw/zinc/32/34/18/810323418.db2.gz ONLZZOCTQXNVMP-UPJWGTAASA-N 2 1 294.399 -0.796 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088200072 810323733 /nfs/dbraw/zinc/32/37/33/810323733.db2.gz ONLZZOCTQXNVMP-AGIUHOORSA-N 2 1 294.399 -0.796 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088200072 810323738 /nfs/dbraw/zinc/32/37/38/810323738.db2.gz ONLZZOCTQXNVMP-AGIUHOORSA-N 2 1 294.399 -0.796 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088200072 810323740 /nfs/dbraw/zinc/32/37/40/810323740.db2.gz ONLZZOCTQXNVMP-AGIUHOORSA-N 2 1 294.399 -0.796 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001088425151 810330170 /nfs/dbraw/zinc/33/01/70/810330170.db2.gz OKUSMLMSCHASBC-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(N)=O ZINC001088571568 810345236 /nfs/dbraw/zinc/34/52/36/810345236.db2.gz FNFXTESRIYJXDO-WXHSDQCUSA-N 2 1 294.399 -0.608 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(N)=O ZINC001088571568 810345239 /nfs/dbraw/zinc/34/52/39/810345239.db2.gz FNFXTESRIYJXDO-WXHSDQCUSA-N 2 1 294.399 -0.608 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1ccc(N2CC[NH2+]CC2)cn1 ZINC001156624138 815369504 /nfs/dbraw/zinc/36/95/04/815369504.db2.gz SPAYNBIOFQSPCC-UHFFFAOYSA-N 2 1 285.355 -0.385 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1ccc2c(n1)CC[NH2+]C2 ZINC001156621421 815370532 /nfs/dbraw/zinc/37/05/32/815370532.db2.gz VKMKBRGFJBBZMJ-UHFFFAOYSA-N 2 1 256.313 -0.149 20 0 CBADMP COCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090431933 810498262 /nfs/dbraw/zinc/49/82/62/810498262.db2.gz GGJQWOJUJTXEIO-OLZOCXBDSA-N 2 1 296.371 -0.611 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090431933 810498264 /nfs/dbraw/zinc/49/82/64/810498264.db2.gz GGJQWOJUJTXEIO-OLZOCXBDSA-N 2 1 296.371 -0.611 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090434405 810498310 /nfs/dbraw/zinc/49/83/10/810498310.db2.gz YSOSSKXIOKVBMO-QWHCGFSZSA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090434405 810498316 /nfs/dbraw/zinc/49/83/16/810498316.db2.gz YSOSSKXIOKVBMO-QWHCGFSZSA-N 2 1 296.371 -0.875 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090536206 810516944 /nfs/dbraw/zinc/51/69/44/810516944.db2.gz BXXKSCOECGDUOO-QWHCGFSZSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090536205 810517579 /nfs/dbraw/zinc/51/75/79/810517579.db2.gz BXXKSCOECGDUOO-OLZOCXBDSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)CC1 ZINC001090542528 810521126 /nfs/dbraw/zinc/52/11/26/810521126.db2.gz FLCVGNJVYCCEAD-STQMWFEESA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)CC1 ZINC001090542528 810521131 /nfs/dbraw/zinc/52/11/31/810521131.db2.gz FLCVGNJVYCCEAD-STQMWFEESA-N 2 1 287.379 -0.151 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730390 810560266 /nfs/dbraw/zinc/56/02/66/810560266.db2.gz KZNOTAKISODJGK-OLZOCXBDSA-N 2 1 297.399 -0.720 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730392 810560350 /nfs/dbraw/zinc/56/03/50/810560350.db2.gz KZNOTAKISODJGK-STQMWFEESA-N 2 1 297.399 -0.720 20 0 CBADMP CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001090970621 810583689 /nfs/dbraw/zinc/58/36/89/810583689.db2.gz HQAHZUBAPUWXJG-HTAVTVPLSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001090970621 810583696 /nfs/dbraw/zinc/58/36/96/810583696.db2.gz HQAHZUBAPUWXJG-HTAVTVPLSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091378919 810604444 /nfs/dbraw/zinc/60/44/44/810604444.db2.gz ZDHLEDKXORRMJG-WXRRBKDZSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](CCO)C2 ZINC001092275247 810626705 /nfs/dbraw/zinc/62/67/05/810626705.db2.gz VNEGCXRYFSXFFV-HIFRSBDPSA-N 2 1 281.400 -0.145 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CCO)C[C@@]3(C)C2)C1 ZINC001092272311 810627302 /nfs/dbraw/zinc/62/73/02/810627302.db2.gz DIZPFXPMUUWQJV-NFAWXSAZSA-N 2 1 281.400 -0.289 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](CCO)C[C@@]3(C)C2)C1 ZINC001092272311 810627309 /nfs/dbraw/zinc/62/73/09/810627309.db2.gz DIZPFXPMUUWQJV-NFAWXSAZSA-N 2 1 281.400 -0.289 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCO)C[C@@]3(C)C2)C1 ZINC001092272311 810627314 /nfs/dbraw/zinc/62/73/14/810627314.db2.gz DIZPFXPMUUWQJV-NFAWXSAZSA-N 2 1 281.400 -0.289 20 0 CBADMP CC[N@@H+](CCO)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156901020 815389012 /nfs/dbraw/zinc/38/90/12/815389012.db2.gz HTEFDDZDTMLYIC-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001157006828 815399034 /nfs/dbraw/zinc/39/90/34/815399034.db2.gz QAHDHFHTAKWIMK-LLVKDONJSA-N 2 1 255.362 -0.084 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCc1cc2n(n1)CCCO2 ZINC001157082113 815404306 /nfs/dbraw/zinc/40/43/06/815404306.db2.gz IFCVEOYJBQOHIH-UHFFFAOYSA-N 2 1 293.371 -0.377 20 0 CBADMP COC(=O)[C@@H](CCC[NH3+])Nc1ncnc2c1C[NH2+]C2 ZINC001157114454 815406524 /nfs/dbraw/zinc/40/65/24/815406524.db2.gz FUYSPUKRRZPFAM-SECBINFHSA-N 2 1 265.317 -0.228 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)CCC1 ZINC001099873885 810958887 /nfs/dbraw/zinc/95/88/87/810958887.db2.gz BNYAGBKCGITCTL-NWDGAFQWSA-N 2 1 285.388 -0.986 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CCO)C[C@H]1O)C1CCC1 ZINC001099879316 810960410 /nfs/dbraw/zinc/96/04/10/810960410.db2.gz IRKWAHARZVCYKA-CHWSQXEVSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O)C1CCC1 ZINC001099879316 810960414 /nfs/dbraw/zinc/96/04/14/810960414.db2.gz IRKWAHARZVCYKA-CHWSQXEVSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O)C1CCC1 ZINC001099879316 810960418 /nfs/dbraw/zinc/96/04/18/810960418.db2.gz IRKWAHARZVCYKA-CHWSQXEVSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC001099971412 810979959 /nfs/dbraw/zinc/97/99/59/810979959.db2.gz HJXKKYGRLFSAHD-OLZOCXBDSA-N 2 1 299.415 -0.738 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001099986546 810985544 /nfs/dbraw/zinc/98/55/44/810985544.db2.gz MIASNROBTANLOA-RYUDHWBXSA-N 2 1 275.368 -0.151 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986399 810985644 /nfs/dbraw/zinc/98/56/44/810985644.db2.gz KFSMIAXDZWUFQU-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099988092 810985676 /nfs/dbraw/zinc/98/56/76/810985676.db2.gz CATISHKSJKPTTB-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001099986967 810985711 /nfs/dbraw/zinc/98/57/11/810985711.db2.gz RTDYQOSLTTWFOM-STQMWFEESA-N 2 1 269.389 -0.101 20 0 CBADMP COCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986904 810986182 /nfs/dbraw/zinc/98/61/82/810986182.db2.gz REDPXZNCAPGSHP-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037365 810997658 /nfs/dbraw/zinc/99/76/58/810997658.db2.gz YFOCHRTZRWACAB-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037365 810997665 /nfs/dbraw/zinc/99/76/65/810997665.db2.gz YFOCHRTZRWACAB-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037366 810997808 /nfs/dbraw/zinc/99/78/08/810997808.db2.gz YFOCHRTZRWACAB-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037366 810997812 /nfs/dbraw/zinc/99/78/12/810997812.db2.gz YFOCHRTZRWACAB-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037336 810998185 /nfs/dbraw/zinc/99/81/85/810998185.db2.gz XSFJCRJOLJPADI-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037336 810998192 /nfs/dbraw/zinc/99/81/92/810998192.db2.gz XSFJCRJOLJPADI-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050096 811006421 /nfs/dbraw/zinc/00/64/21/811006421.db2.gz BXHCDUGSJCXVQN-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCOC)C[C@@H]1O ZINC001100064172 811009739 /nfs/dbraw/zinc/00/97/39/811009739.db2.gz JHFNJXVKUQLXSW-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCOC)C[C@@H]1O ZINC001100064172 811009746 /nfs/dbraw/zinc/00/97/46/811009746.db2.gz JHFNJXVKUQLXSW-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001100064172 811009754 /nfs/dbraw/zinc/00/97/54/811009754.db2.gz JHFNJXVKUQLXSW-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCOC)C[C@@H]1O ZINC001100081334 811018729 /nfs/dbraw/zinc/01/87/29/811018729.db2.gz QLGPNZQEPYVRDQ-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCOC)C[C@@H]1O ZINC001100081334 811018738 /nfs/dbraw/zinc/01/87/38/811018738.db2.gz QLGPNZQEPYVRDQ-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001100081334 811018742 /nfs/dbraw/zinc/01/87/42/811018742.db2.gz QLGPNZQEPYVRDQ-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP COCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109922 811022127 /nfs/dbraw/zinc/02/21/27/811022127.db2.gz MSEGGPRHCKCMJK-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CCOCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109186 811022975 /nfs/dbraw/zinc/02/29/75/811022975.db2.gz AOZKJCVHVKKDBL-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCCO)C[C@H]1O ZINC001100131257 811025621 /nfs/dbraw/zinc/02/56/21/811025621.db2.gz AIFFOUGBJLFVPU-QWHCGFSZSA-N 2 1 287.404 -0.740 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100131257 811025628 /nfs/dbraw/zinc/02/56/28/811025628.db2.gz AIFFOUGBJLFVPU-QWHCGFSZSA-N 2 1 287.404 -0.740 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100131257 811025634 /nfs/dbraw/zinc/02/56/34/811025634.db2.gz AIFFOUGBJLFVPU-QWHCGFSZSA-N 2 1 287.404 -0.740 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132582 811029443 /nfs/dbraw/zinc/02/94/43/811029443.db2.gz WDFPIKNSMKBEQF-STQMWFEESA-N 2 1 287.404 -0.476 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132582 811029449 /nfs/dbraw/zinc/02/94/49/811029449.db2.gz WDFPIKNSMKBEQF-STQMWFEESA-N 2 1 287.404 -0.476 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132582 811029458 /nfs/dbraw/zinc/02/94/58/811029458.db2.gz WDFPIKNSMKBEQF-STQMWFEESA-N 2 1 287.404 -0.476 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100511630 811061452 /nfs/dbraw/zinc/06/14/52/811061452.db2.gz HUYKTDJLBBOQTJ-UHFFFAOYSA-N 2 1 266.345 -0.332 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001100827785 811081479 /nfs/dbraw/zinc/08/14/79/811081479.db2.gz UBMCPFZKJSEVPQ-UNXYVOJBSA-N 2 1 284.404 -0.314 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC)C1 ZINC001100904746 811084951 /nfs/dbraw/zinc/08/49/51/811084951.db2.gz FDIIRQDUWSZPSR-HIFPTAJRSA-N 2 1 298.431 -0.053 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001100989239 811090040 /nfs/dbraw/zinc/09/00/40/811090040.db2.gz PFRWEZMRVRSJHX-OIKLOGQESA-N 2 1 293.371 -0.450 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101035942 811091072 /nfs/dbraw/zinc/09/10/72/811091072.db2.gz FRUKKKRCINVGMT-PNESKVBLSA-N 2 1 298.431 -0.055 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCCO)C2)C1 ZINC001101009439 811091467 /nfs/dbraw/zinc/09/14/67/811091467.db2.gz SDWKNZWNGIGVOD-RUXDESIVSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCCO)C2)C1 ZINC001101009439 811091475 /nfs/dbraw/zinc/09/14/75/811091475.db2.gz SDWKNZWNGIGVOD-RUXDESIVSA-N 2 1 299.415 -0.426 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1C ZINC001102525038 811157363 /nfs/dbraw/zinc/15/73/63/811157363.db2.gz IZIUEHQXSJZBEP-JHJVBQTASA-N 2 1 298.431 -0.114 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001102525038 811157367 /nfs/dbraw/zinc/15/73/67/811157367.db2.gz IZIUEHQXSJZBEP-JHJVBQTASA-N 2 1 298.431 -0.114 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001102525038 811157373 /nfs/dbraw/zinc/15/73/73/811157373.db2.gz IZIUEHQXSJZBEP-JHJVBQTASA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102521096 811159288 /nfs/dbraw/zinc/15/92/88/811159288.db2.gz QAZHMWKALXKSRX-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378614 811180293 /nfs/dbraw/zinc/18/02/93/811180293.db2.gz AQUBCMCQUWGMMF-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398340 811183134 /nfs/dbraw/zinc/18/31/34/811183134.db2.gz OPTDUWYNOSNNFM-JHJVBQTASA-N 2 1 298.431 -0.114 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]2CC[NH2+]C[C@H]2F)n[nH]1 ZINC001157440374 815433830 /nfs/dbraw/zinc/43/38/30/815433830.db2.gz UNTREHHUKRGWFE-JGVFFNPUSA-N 2 1 268.296 -0.108 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105942123 811280052 /nfs/dbraw/zinc/28/00/52/811280052.db2.gz ZNEGPWWCAQMRPR-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001106839350 811317708 /nfs/dbraw/zinc/31/77/08/811317708.db2.gz CWZGXHYVXUOGGB-CHWSQXEVSA-N 2 1 298.431 -0.242 20 0 CBADMP CNC(=O)C1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001157495930 815439053 /nfs/dbraw/zinc/43/90/53/815439053.db2.gz OTYOHJDKRIMRGW-UHFFFAOYSA-N 2 1 282.388 -0.687 20 0 CBADMP [NH3+][C@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccnn32)C[C@H]1F ZINC001157533030 815442642 /nfs/dbraw/zinc/44/26/42/815442642.db2.gz XQZNLRBPCVNNTP-KXUCPTDWSA-N 2 1 253.281 -0.965 20 0 CBADMP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157544430 815443953 /nfs/dbraw/zinc/44/39/53/815443953.db2.gz CYZNPXBLNFFXKS-RDBSUJKOSA-N 2 1 295.358 -0.013 20 0 CBADMP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157544430 815443956 /nfs/dbraw/zinc/44/39/56/815443956.db2.gz CYZNPXBLNFFXKS-RDBSUJKOSA-N 2 1 295.358 -0.013 20 0 CBADMP NC[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)cc1 ZINC001157556238 815445074 /nfs/dbraw/zinc/44/50/74/815445074.db2.gz XOBCXMODNOMTEI-UTUOFQBUSA-N 2 1 266.320 -0.234 20 0 CBADMP COCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182684 811422515 /nfs/dbraw/zinc/42/25/15/811422515.db2.gz NNYOVFHDJCYLTK-CQSZACIVSA-N 2 1 287.404 -0.208 20 0 CBADMP COCC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182684 811422518 /nfs/dbraw/zinc/42/25/18/811422518.db2.gz NNYOVFHDJCYLTK-CQSZACIVSA-N 2 1 287.404 -0.208 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108395283 811443318 /nfs/dbraw/zinc/44/33/18/811443318.db2.gz QONCMXOEZAJSRP-GXTWGEPZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108395283 811443325 /nfs/dbraw/zinc/44/33/25/811443325.db2.gz QONCMXOEZAJSRP-GXTWGEPZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)C1 ZINC001108395283 811443328 /nfs/dbraw/zinc/44/33/28/811443328.db2.gz QONCMXOEZAJSRP-GXTWGEPZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)C1 ZINC001108395283 811443333 /nfs/dbraw/zinc/44/33/33/811443333.db2.gz QONCMXOEZAJSRP-GXTWGEPZSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[NH+]1CC(N2C[C@H](NC(=O)C[N@H+](C)C(C)C)CC2=O)C1 ZINC001108592098 811459531 /nfs/dbraw/zinc/45/95/31/811459531.db2.gz MIDFPLNBXCXZKE-GFCCVEGCSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[NH+]1CC(N2C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2=O)C1 ZINC001108592098 811459537 /nfs/dbraw/zinc/45/95/37/811459537.db2.gz MIDFPLNBXCXZKE-GFCCVEGCSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959278 811534064 /nfs/dbraw/zinc/53/40/64/811534064.db2.gz HXNXEIBMFGOHAE-LOWDOPEQSA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959278 811534067 /nfs/dbraw/zinc/53/40/67/811534067.db2.gz HXNXEIBMFGOHAE-LOWDOPEQSA-N 2 1 296.415 -0.077 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001110979787 811535388 /nfs/dbraw/zinc/53/53/88/811535388.db2.gz DFMFYGIINDGNPP-UTUOFQBUSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979927 811535437 /nfs/dbraw/zinc/53/54/37/811535437.db2.gz JFVSEIAQQHZNDL-KKOKHZNYSA-N 2 1 282.388 -0.467 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979927 811535442 /nfs/dbraw/zinc/53/54/42/811535442.db2.gz JFVSEIAQQHZNDL-KKOKHZNYSA-N 2 1 282.388 -0.467 20 0 CBADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981405 811536274 /nfs/dbraw/zinc/53/62/74/811536274.db2.gz ONNRMSFXUCEJON-RQJABVFESA-N 2 1 299.415 -0.333 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110982018 811536549 /nfs/dbraw/zinc/53/65/49/811536549.db2.gz CWGCQZZTLDWLJY-NDBYEHHHSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110982018 811536552 /nfs/dbraw/zinc/53/65/52/811536552.db2.gz CWGCQZZTLDWLJY-NDBYEHHHSA-N 2 1 296.415 -0.077 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157738846 815460244 /nfs/dbraw/zinc/46/02/44/815460244.db2.gz DBVHOQOSSVAHKL-GWCFXTLKSA-N 2 1 289.351 -0.054 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C)CCN1c1cc2c(nn1)CC[NH2+]C2 ZINC001157772985 815463940 /nfs/dbraw/zinc/46/39/40/815463940.db2.gz KBHKGFZJZAIYCU-LBPRGKRZSA-N 2 1 291.355 -0.584 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C)CCN1c1cc2c(nn1)CC[NH2+]C2 ZINC001157772985 815463946 /nfs/dbraw/zinc/46/39/46/815463946.db2.gz KBHKGFZJZAIYCU-LBPRGKRZSA-N 2 1 291.355 -0.584 20 0 CBADMP CCC[N@H+](C)CCC(=O)N1CC[NH+](CCO)CC1 ZINC001113571372 811648050 /nfs/dbraw/zinc/64/80/50/811648050.db2.gz KIFOJCHEMWAJQT-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+](CCO)CC1 ZINC001113571372 811648055 /nfs/dbraw/zinc/64/80/55/811648055.db2.gz KIFOJCHEMWAJQT-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP [NH3+]C[C@]1(F)CCCN(C(=O)c2nnn3c2C[NH2+]CC3)CC1 ZINC001157773967 815465897 /nfs/dbraw/zinc/46/58/97/815465897.db2.gz NPOCPRPEIOAMLZ-ZDUSSCGKSA-N 2 1 296.350 -0.326 20 0 CBADMP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001113629618 811652293 /nfs/dbraw/zinc/65/22/93/811652293.db2.gz QCJCWZWLQWOKNO-STQMWFEESA-N 2 1 285.388 -0.910 20 0 CBADMP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113629618 811652299 /nfs/dbraw/zinc/65/22/99/811652299.db2.gz QCJCWZWLQWOKNO-STQMWFEESA-N 2 1 285.388 -0.910 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001114042102 811711470 /nfs/dbraw/zinc/71/14/70/811711470.db2.gz WPNCKOIAACCVTE-RQJABVFESA-N 2 1 297.399 -0.864 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114042102 811711475 /nfs/dbraw/zinc/71/14/75/811711475.db2.gz WPNCKOIAACCVTE-RQJABVFESA-N 2 1 297.399 -0.864 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114042102 811711481 /nfs/dbraw/zinc/71/14/81/811711481.db2.gz WPNCKOIAACCVTE-RQJABVFESA-N 2 1 297.399 -0.864 20 0 CBADMP COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114091390 811716473 /nfs/dbraw/zinc/71/64/73/811716473.db2.gz VYUUKMLWLILZLD-RFQIPJPRSA-N 2 1 297.399 -0.600 20 0 CBADMP COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114091390 811716477 /nfs/dbraw/zinc/71/64/77/811716477.db2.gz VYUUKMLWLILZLD-RFQIPJPRSA-N 2 1 297.399 -0.600 20 0 CBADMP COCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001114091390 811716480 /nfs/dbraw/zinc/71/64/80/811716480.db2.gz VYUUKMLWLILZLD-RFQIPJPRSA-N 2 1 297.399 -0.600 20 0 CBADMP COCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001114091390 811716483 /nfs/dbraw/zinc/71/64/83/811716483.db2.gz VYUUKMLWLILZLD-RFQIPJPRSA-N 2 1 297.399 -0.600 20 0 CBADMP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001157841802 815470448 /nfs/dbraw/zinc/47/04/48/815470448.db2.gz HXZBOSNZSMTHSX-OJROKELRSA-N 2 1 266.389 -0.206 20 0 CBADMP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157842420 815470916 /nfs/dbraw/zinc/47/09/16/815470916.db2.gz LHBYEIUXWIDOGR-RYUDHWBXSA-N 3 1 268.405 -0.086 20 0 CBADMP C[C@H]1CC[C@H](CO)CN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157854428 815471626 /nfs/dbraw/zinc/47/16/26/815471626.db2.gz DALSSQZRNLHJLQ-RYUDHWBXSA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@H]1C[C@@H](CO)N(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001157853652 815471916 /nfs/dbraw/zinc/47/19/16/815471916.db2.gz JMTBXQCVIJDIMJ-JQWIXIFHSA-N 2 1 255.362 -0.443 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)C1CC1 ZINC001114409536 811747047 /nfs/dbraw/zinc/74/70/47/811747047.db2.gz MJIGKASUMOTORT-MROQNXINSA-N 2 1 267.373 -0.635 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114414237 811747540 /nfs/dbraw/zinc/74/75/40/811747540.db2.gz PAEINMWDNMKJSM-MUYACECFSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114414237 811747546 /nfs/dbraw/zinc/74/75/46/811747546.db2.gz PAEINMWDNMKJSM-MUYACECFSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114414237 811747553 /nfs/dbraw/zinc/74/75/53/811747553.db2.gz PAEINMWDNMKJSM-MUYACECFSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114406877 811747584 /nfs/dbraw/zinc/74/75/84/811747584.db2.gz MNVDRDMBPZPRAF-NDBYEHHHSA-N 2 1 281.400 -0.102 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114409445 811748166 /nfs/dbraw/zinc/74/81/66/811748166.db2.gz LHHNVSVODZRQTR-UNJBNNCHSA-N 2 1 294.399 -0.881 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114409445 811748171 /nfs/dbraw/zinc/74/81/71/811748171.db2.gz LHHNVSVODZRQTR-UNJBNNCHSA-N 2 1 294.399 -0.881 20 0 CBADMP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001157850337 815472276 /nfs/dbraw/zinc/47/22/76/815472276.db2.gz XXIBJIJQEIMVGP-DYEKYZERSA-N 2 1 297.447 -0.677 20 0 CBADMP [NH3+][C@H](C(=O)N1CCc2nc[nH]c2C1)C1CC[NH2+]CC1 ZINC001157922637 815482529 /nfs/dbraw/zinc/48/25/29/815482529.db2.gz TVVPCXIWRLCFAA-LBPRGKRZSA-N 2 1 263.345 -0.379 20 0 CBADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2nc[nH]c2C1 ZINC001157922556 815482761 /nfs/dbraw/zinc/48/27/61/815482761.db2.gz RBGIZNJBFWZGGD-LLVKDONJSA-N 2 1 292.387 -0.955 20 0 CBADMP [NH3+]Cc1ncn(-c2ncccc2C(=O)N2CC[NH2+]CC2)n1 ZINC001157928868 815484563 /nfs/dbraw/zinc/48/45/63/815484563.db2.gz YMLSGDPEDKLHOX-UHFFFAOYSA-N 2 1 287.327 -0.834 20 0 CBADMP NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158036859 815500063 /nfs/dbraw/zinc/50/00/63/815500063.db2.gz FQNJDBXYOLAIFT-NWDGAFQWSA-N 2 1 282.388 -0.558 20 0 CBADMP O=C(NCCC[NH2+]CCO)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158036916 815500346 /nfs/dbraw/zinc/50/03/46/815500346.db2.gz GMOQETDOJCIYMR-CHWSQXEVSA-N 2 1 269.389 -0.051 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114740786 812155918 /nfs/dbraw/zinc/15/59/18/812155918.db2.gz BAVCSSQWUPQRDP-NNYUYHANSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114740786 812155926 /nfs/dbraw/zinc/15/59/26/812155926.db2.gz BAVCSSQWUPQRDP-NNYUYHANSA-N 2 1 294.399 -0.752 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114743934 812156316 /nfs/dbraw/zinc/15/63/16/812156316.db2.gz STRZKLCZPMBGDV-YABSGUDNSA-N 2 1 282.388 -0.879 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114743934 812156311 /nfs/dbraw/zinc/15/63/11/812156311.db2.gz STRZKLCZPMBGDV-YABSGUDNSA-N 2 1 282.388 -0.879 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114746444 812156418 /nfs/dbraw/zinc/15/64/18/812156418.db2.gz SKNZLKORTIKCJB-IMRBUKKESA-N 2 1 269.389 -0.243 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114750193 812157044 /nfs/dbraw/zinc/15/70/44/812157044.db2.gz CMBHDSYBJUDKGL-KZVDOYCCSA-N 2 1 294.399 -0.737 20 0 CBADMP COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114779116 812160576 /nfs/dbraw/zinc/16/05/76/812160576.db2.gz XNMIUIGZGXPMOK-NHAGDIPZSA-N 2 1 299.415 -0.353 20 0 CBADMP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980234 812171140 /nfs/dbraw/zinc/17/11/40/812171140.db2.gz MZHLUUTVWKWDPD-IMRBUKKESA-N 2 1 267.373 -0.225 20 0 CBADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980234 812171145 /nfs/dbraw/zinc/17/11/45/812171145.db2.gz MZHLUUTVWKWDPD-IMRBUKKESA-N 2 1 267.373 -0.225 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114992144 812171870 /nfs/dbraw/zinc/17/18/70/812171870.db2.gz PIWTUTOUCROLBO-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114992144 812171877 /nfs/dbraw/zinc/17/18/77/812171877.db2.gz PIWTUTOUCROLBO-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP 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 812172138 /nfs/dbraw/zinc/17/21/38/812172138.db2.gz FZTCSYZQCQNPNT-NMKXLXIOSA-N 2 1 296.415 -0.491 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114996655 812172409 /nfs/dbraw/zinc/17/24/09/812172409.db2.gz BZXUNKFQQDCXGQ-CZXHOFHRSA-N 2 1 296.415 -0.362 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115127056 812180566 /nfs/dbraw/zinc/18/05/66/812180566.db2.gz ZZYYNNWLXSTINH-CXTNEJHOSA-N 2 1 299.415 -0.354 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001115159034 812182108 /nfs/dbraw/zinc/18/21/08/812182108.db2.gz BQMUMDKDHNSXEG-NHAGDIPZSA-N 2 1 299.415 -0.617 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001115159034 812182116 /nfs/dbraw/zinc/18/21/16/812182116.db2.gz BQMUMDKDHNSXEG-NHAGDIPZSA-N 2 1 299.415 -0.617 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001115159034 812182125 /nfs/dbraw/zinc/18/21/25/812182125.db2.gz BQMUMDKDHNSXEG-NHAGDIPZSA-N 2 1 299.415 -0.617 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241749 812186105 /nfs/dbraw/zinc/18/61/05/812186105.db2.gz NSUFASKLMXYPGK-JYAVWHMHSA-N 2 1 294.399 -0.735 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241749 812186106 /nfs/dbraw/zinc/18/61/06/812186106.db2.gz NSUFASKLMXYPGK-JYAVWHMHSA-N 2 1 294.399 -0.735 20 0 CBADMP 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 812190279 /nfs/dbraw/zinc/19/02/79/812190279.db2.gz OJLQPDILDJAAHZ-CIQGVGRVSA-N 2 1 296.415 -0.493 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115304101 812190287 /nfs/dbraw/zinc/19/02/87/812190287.db2.gz OJLQPDILDJAAHZ-CIQGVGRVSA-N 2 1 296.415 -0.493 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115304101 812190293 /nfs/dbraw/zinc/19/02/93/812190293.db2.gz OJLQPDILDJAAHZ-CIQGVGRVSA-N 2 1 296.415 -0.493 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115302548 812190531 /nfs/dbraw/zinc/19/05/31/812190531.db2.gz UODVWWZRNDFZQP-YABSGUDNSA-N 2 1 282.388 -0.881 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115302548 812190535 /nfs/dbraw/zinc/19/05/35/812190535.db2.gz UODVWWZRNDFZQP-YABSGUDNSA-N 2 1 282.388 -0.881 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115302548 812190539 /nfs/dbraw/zinc/19/05/39/812190539.db2.gz UODVWWZRNDFZQP-YABSGUDNSA-N 2 1 282.388 -0.881 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115302548 812190543 /nfs/dbraw/zinc/19/05/43/812190543.db2.gz UODVWWZRNDFZQP-YABSGUDNSA-N 2 1 282.388 -0.881 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N2CCC3(CCC[NH2+]3)CC2)C1 ZINC001158170097 815509577 /nfs/dbraw/zinc/50/95/77/815509577.db2.gz VLRPCOIAIYLBGI-QWRGUYRKSA-N 2 1 252.362 -0.580 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158214709 815515079 /nfs/dbraw/zinc/51/50/79/815515079.db2.gz BYNRYURVGSWVRK-QJPTWQEYSA-N 2 1 252.362 -0.805 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001158346984 815521757 /nfs/dbraw/zinc/52/17/57/815521757.db2.gz FQKGUUJFHHLWOF-AWEZNQCLSA-N 3 1 291.399 -0.028 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001158381076 815522607 /nfs/dbraw/zinc/52/26/07/815522607.db2.gz XHSFYWVRMTZYAA-GMTAPVOTSA-N 2 1 270.377 -0.704 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nnnn2C)CC[N@H+]1C ZINC001158420409 815527205 /nfs/dbraw/zinc/52/72/05/815527205.db2.gz BFGSHLRKSGLKQS-GHMZBOCLSA-N 2 1 295.391 -0.854 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158424336 815528561 /nfs/dbraw/zinc/52/85/61/815528561.db2.gz ROZAIHLTNPAZIW-VXGBXAGGSA-N 3 1 252.362 -0.709 20 0 CBADMP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158428811 815529111 /nfs/dbraw/zinc/52/91/11/815529111.db2.gz UICVTPSGENFUJS-IJLUTSLNSA-N 2 1 257.378 -0.197 20 0 CBADMP CN(C(=O)c1n[nH]c2c1C[NH2+]CC2)C1CC[NH2+]CC1 ZINC001118192188 812488215 /nfs/dbraw/zinc/48/82/15/812488215.db2.gz BAIDJLARBAIUJO-UHFFFAOYSA-N 2 1 263.345 -0.121 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC001118199960 812493110 /nfs/dbraw/zinc/49/31/10/812493110.db2.gz XFCGFDWDLYHNRE-TUAOUCFPSA-N 2 1 255.362 -0.227 20 0 CBADMP C[NH2+][C@H](C(=O)NC1CC[NH+](C)CC1)c1cnn(C)c1 ZINC001118215906 812498296 /nfs/dbraw/zinc/49/82/96/812498296.db2.gz BFIWKDKFRIIPJU-LBPRGKRZSA-N 2 1 265.361 -0.109 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158567164 815538254 /nfs/dbraw/zinc/53/82/54/815538254.db2.gz FKTJUIFUYOTHIC-DLOVCJGASA-N 2 1 295.362 -0.185 20 0 CBADMP C[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001118282237 812518720 /nfs/dbraw/zinc/51/87/20/812518720.db2.gz WFSLQMNKEJIYSO-SECBINFHSA-N 2 1 256.350 -0.998 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC001118483400 812554244 /nfs/dbraw/zinc/55/42/44/812554244.db2.gz XQAAIKVKUZXPNX-GHMZBOCLSA-N 2 1 295.387 -0.332 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158509145 815536595 /nfs/dbraw/zinc/53/65/95/815536595.db2.gz ZHXPSVPJBYCRMY-STQMWFEESA-N 2 1 285.388 -0.408 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158509137 815536780 /nfs/dbraw/zinc/53/67/80/815536780.db2.gz ZHXPSVPJBYCRMY-CHWSQXEVSA-N 2 1 285.388 -0.408 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH2+]C)C1 ZINC001118550363 812573265 /nfs/dbraw/zinc/57/32/65/812573265.db2.gz DZLSGSUCSMMRPE-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP [NH3+]C1([C@@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@@H]2CF)CC1 ZINC001158567644 815538638 /nfs/dbraw/zinc/53/86/38/815538638.db2.gz JEXMPIOIGRDKQH-WCQYABFASA-N 3 1 298.406 -0.137 20 0 CBADMP [NH3+]CCCNCC(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158577811 815539263 /nfs/dbraw/zinc/53/92/63/815539263.db2.gz JFYIZWOOHWLUAL-QWRGUYRKSA-N 2 1 272.368 -0.540 20 0 CBADMP [NH3+]C1([C@H]2CN(C(=O)[C@@H]3COCC[NH2+]3)C[C@@H]2CF)CC1 ZINC001158577522 815539887 /nfs/dbraw/zinc/53/98/87/815539887.db2.gz ILZSIEFOTGMCGH-DCAQKATOSA-N 2 1 271.336 -0.490 20 0 CBADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001158626117 815540468 /nfs/dbraw/zinc/54/04/68/815540468.db2.gz DXSBWHOPBCQSSQ-KZVDOYCCSA-N 2 1 266.389 -0.511 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001158626117 815540472 /nfs/dbraw/zinc/54/04/72/815540472.db2.gz DXSBWHOPBCQSSQ-KZVDOYCCSA-N 2 1 266.389 -0.511 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCCC(=O)CC1 ZINC001158658527 815542442 /nfs/dbraw/zinc/54/24/42/815542442.db2.gz LDCOIZGGSDESHP-UHFFFAOYSA-N 2 1 253.346 -0.090 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001118871600 812648658 /nfs/dbraw/zinc/64/86/58/812648658.db2.gz MHKDWSNWPTUKCJ-QJPTWQEYSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001118903620 812658044 /nfs/dbraw/zinc/65/80/44/812658044.db2.gz UWHMTMREAXPUON-SRVKXCTJSA-N 2 1 284.404 -0.409 20 0 CBADMP C[NH2+][C@H](C)Cc1noc([C@H](C)N2CC[NH2+]CC2=O)n1 ZINC001119062931 812703363 /nfs/dbraw/zinc/70/33/63/812703363.db2.gz SEYFRODRMHBCTO-BDAKNGLRSA-N 2 1 267.333 -0.287 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001119241667 812730040 /nfs/dbraw/zinc/73/00/40/812730040.db2.gz KEUTUMUWRLFZCS-BETUJISGSA-N 2 1 268.405 -0.133 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119356632 812764935 /nfs/dbraw/zinc/76/49/35/812764935.db2.gz JPXIEQWJSNCXFM-MRBYEJRBSA-N 2 1 294.399 -0.561 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001119367887 812768472 /nfs/dbraw/zinc/76/84/72/812768472.db2.gz AJKADXQFMMNJON-RWMBFGLXSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC[N@H+]1C ZINC001119407223 812776751 /nfs/dbraw/zinc/77/67/51/812776751.db2.gz GLLFUEDLEOXWLW-YNEHKIRRSA-N 2 1 296.415 -0.075 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001119415704 812778052 /nfs/dbraw/zinc/77/80/52/812778052.db2.gz YOKMIQLZWBUFAP-OUAUKWLOSA-N 2 1 280.372 -0.807 20 0 CBADMP COC[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])Cc2cn(C)nc21 ZINC001159017188 815555160 /nfs/dbraw/zinc/55/51/60/815555160.db2.gz BJLVHQGBMIVCSJ-MNOVXSKESA-N 2 1 281.360 -0.832 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCN1CC=CC1 ZINC001119597309 812825934 /nfs/dbraw/zinc/82/59/34/812825934.db2.gz CDAHXCJNHMZLJN-DGCLKSJQSA-N 2 1 253.346 -0.571 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)C[C@@H]21 ZINC001119610876 812833349 /nfs/dbraw/zinc/83/33/49/812833349.db2.gz IRADOPQNKBREHJ-GRYCIOLGSA-N 2 1 294.399 -0.655 20 0 CBADMP O[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1(O)CCOCC1 ZINC001119746336 812880849 /nfs/dbraw/zinc/88/08/49/812880849.db2.gz MLFLTHSOHXIHCC-GRYCIOLGSA-N 2 1 256.346 -0.960 20 0 CBADMP C[C@H]1Cn2nc(C(=O)NC[C@H]3CCC[NH2+]3)cc2C[NH2+]1 ZINC001120451437 812968751 /nfs/dbraw/zinc/96/87/51/812968751.db2.gz CNJHCEDCDQOGLW-VHSXEESVSA-N 2 1 263.345 -0.143 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N3CC[C@H](C[NH3+])C3)cc2C[NH2+]1 ZINC001120451766 812969133 /nfs/dbraw/zinc/96/91/33/812969133.db2.gz GSKZNKOWLQJZHZ-VHSXEESVSA-N 2 1 263.345 -0.204 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001120534134 812984260 /nfs/dbraw/zinc/98/42/60/812984260.db2.gz XCUJUAOVTIHVTH-TXEJJXNPSA-N 2 1 296.415 -0.312 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001159335072 815570444 /nfs/dbraw/zinc/57/04/44/815570444.db2.gz QOZMMYYZMFHCLN-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCO ZINC001159356298 815571646 /nfs/dbraw/zinc/57/16/46/815571646.db2.gz VDYJXHHDDAUSJK-LBPRGKRZSA-N 2 1 257.378 -0.051 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC001121810422 813077493 /nfs/dbraw/zinc/07/74/93/813077493.db2.gz JEMOPWKOZVSROB-WOPDTQHZSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@@H](C[NH3+])C1 ZINC001121811355 813078022 /nfs/dbraw/zinc/07/80/22/813078022.db2.gz ZTKMAFYWGJLFHE-GRYCIOLGSA-N 2 1 252.362 -0.818 20 0 CBADMP C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001121895090 813084146 /nfs/dbraw/zinc/08/41/46/813084146.db2.gz ARGUAYRUSJNWMK-WCQYABFASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1(C[NH3+])CCCC1 ZINC001121895078 813084583 /nfs/dbraw/zinc/08/45/83/813084583.db2.gz AKOKQJNCLDMSMO-VXGBXAGGSA-N 2 1 266.389 -0.238 20 0 CBADMP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001121895611 813086948 /nfs/dbraw/zinc/08/69/48/813086948.db2.gz DMRFCGVJQXKRJM-BZPMIXESSA-N 2 1 268.405 -0.136 20 0 CBADMP CC(C)(O)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001121909072 813089194 /nfs/dbraw/zinc/08/91/94/813089194.db2.gz JCZIFTLEWLHREN-GARJFASQSA-N 2 1 255.362 -0.172 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C23CC(C2)C[NH2+]3)C1 ZINC001121921751 813090419 /nfs/dbraw/zinc/09/04/19/813090419.db2.gz UVJMCDHWMUHRIZ-QWKFWESOSA-N 2 1 253.346 -0.425 20 0 CBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CNCC[NH3+])C[C@H](C)O1 ZINC001121983043 813101713 /nfs/dbraw/zinc/10/17/13/813101713.db2.gz WAPSKCAPJYVFAG-TXEJJXNPSA-N 2 1 286.420 -0.461 20 0 CBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CNCC[NH3+])C[C@H](C)O1 ZINC001121983043 813101719 /nfs/dbraw/zinc/10/17/19/813101719.db2.gz WAPSKCAPJYVFAG-TXEJJXNPSA-N 2 1 286.420 -0.461 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121996784 813102188 /nfs/dbraw/zinc/10/21/88/813102188.db2.gz NOMXGLNXDPBJHZ-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121996785 813102711 /nfs/dbraw/zinc/10/27/11/813102711.db2.gz NOMXGLNXDPBJHZ-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)[N@@H+](C)C1CC1 ZINC001121996104 813103176 /nfs/dbraw/zinc/10/31/76/813103176.db2.gz BIULJRSGDYPGKF-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001122009206 813104054 /nfs/dbraw/zinc/10/40/54/813104054.db2.gz HNFDQCMDHBTARW-QLFBSQMISA-N 2 1 294.443 -0.014 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC2CC1(C[NH3+])C2 ZINC001122067716 813111563 /nfs/dbraw/zinc/11/15/63/813111563.db2.gz APWSWOSQVPMVFQ-JJMZSNKZSA-N 2 1 264.373 -0.676 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001122075299 813112832 /nfs/dbraw/zinc/11/28/32/813112832.db2.gz KHMJRSAMRCMJKP-GVXVVHGQSA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH3+])CC(O)C3)CC[C@H]21 ZINC001122108363 813119043 /nfs/dbraw/zinc/11/90/43/813119043.db2.gz PJZMHLAYVKDYRY-KTEZZQQRSA-N 2 1 267.373 -0.361 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CNCC[NH3+])C1 ZINC001122136696 813122335 /nfs/dbraw/zinc/12/23/35/813122335.db2.gz OSWISXSZDCGNDT-NSHDSACASA-N 2 1 256.394 -0.229 20 0 CBADMP [NH3+]C[C@@H](O)CNC(=O)[C@@H]1[NH2+]CCOc2ccccc21 ZINC001122150320 813124992 /nfs/dbraw/zinc/12/49/92/813124992.db2.gz XPWCHTWTYMRUJC-BXKDBHETSA-N 2 1 265.313 -0.855 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCCC[C@@H]1C[NH3+] ZINC001122191042 813130337 /nfs/dbraw/zinc/13/03/37/813130337.db2.gz IFJCNKVFBHLYFH-JHJVBQTASA-N 2 1 266.389 -0.286 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[C@@H]1C[NH3+] ZINC001122221299 813135282 /nfs/dbraw/zinc/13/52/82/813135282.db2.gz WQQFTIBZCOOFFH-IJLUTSLNSA-N 2 1 252.362 -0.676 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[NH+]1CCC(CO)CC1 ZINC001122227908 813136089 /nfs/dbraw/zinc/13/60/89/813136089.db2.gz ZQMSHZKMGNDOPA-ZYHUDNBSSA-N 2 1 255.362 -0.585 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001122289517 813140443 /nfs/dbraw/zinc/14/04/43/813140443.db2.gz ZWDDVTJFMHCXGZ-LBPRGKRZSA-N 2 1 254.378 -0.508 20 0 CBADMP CN1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC[N@@H+](C)CC1 ZINC001122290076 813140862 /nfs/dbraw/zinc/14/08/62/813140862.db2.gz AXSHBOKKVXTWGK-CYBMUJFWSA-N 2 1 268.405 -0.180 20 0 CBADMP COC[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001122333432 813147832 /nfs/dbraw/zinc/14/78/32/813147832.db2.gz ZAZVMWQYWHBIRK-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@]1(C(=O)Nc2cc3n(n2)CC[NH2+]C3)C[C@H](O)C[NH2+]1 ZINC001122376085 813156534 /nfs/dbraw/zinc/15/65/34/813156534.db2.gz VYGAJOCAKCYASM-JOYOIKCWSA-N 2 1 265.317 -0.962 20 0 CBADMP C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCN1C ZINC001122448295 813165201 /nfs/dbraw/zinc/16/52/01/813165201.db2.gz MEZGFYYOSILBMF-FIQHERPVSA-N 2 1 254.378 -0.526 20 0 CBADMP CS(=O)(=O)c1c[nH]c2ncnc(N[C@@H]([NH3+])CCC[NH3+])c12 ZINC001159783064 815595232 /nfs/dbraw/zinc/59/52/32/815595232.db2.gz ATTHECVLWZLZBY-MRVPVSSYSA-N 2 1 298.372 -0.203 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)[C@H](CO)C1 ZINC001122540985 813174149 /nfs/dbraw/zinc/17/41/49/813174149.db2.gz JGFBOJSWOFOBDN-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)[C@H](CO)C1 ZINC001122540985 813174152 /nfs/dbraw/zinc/17/41/52/813174152.db2.gz JGFBOJSWOFOBDN-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)[C@@H](CO)C1 ZINC001122540987 813174336 /nfs/dbraw/zinc/17/43/36/813174336.db2.gz JGFBOJSWOFOBDN-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)[C@@H](CO)C1 ZINC001122540987 813174338 /nfs/dbraw/zinc/17/43/38/813174338.db2.gz JGFBOJSWOFOBDN-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C)[NH+](C)C ZINC001123494470 813243020 /nfs/dbraw/zinc/24/30/20/813243020.db2.gz MAYYMZAMIKOEOW-IJLUTSLNSA-N 2 1 254.378 -0.559 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CCCC1 ZINC001123482108 813243230 /nfs/dbraw/zinc/24/32/30/813243230.db2.gz KASZDJGJPOSRSS-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C)[NH+](C)C ZINC001123494471 813243613 /nfs/dbraw/zinc/24/36/13/813243613.db2.gz MAYYMZAMIKOEOW-UTUOFQBUSA-N 2 1 254.378 -0.559 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CCC1 ZINC001123672375 813258966 /nfs/dbraw/zinc/25/89/66/813258966.db2.gz UUUXKNYDCVCSKW-NEPJUHHUSA-N 2 1 252.362 -0.803 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)cc1=O ZINC001124836256 813486080 /nfs/dbraw/zinc/48/60/80/813486080.db2.gz DUWFICGWSGQIPP-CYBMUJFWSA-N 2 1 292.383 -0.315 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124838330 813486153 /nfs/dbraw/zinc/48/61/53/813486153.db2.gz WBYWHCQSEOGOKE-NSHDSACASA-N 2 1 265.361 -0.280 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124838330 813486156 /nfs/dbraw/zinc/48/61/56/813486156.db2.gz WBYWHCQSEOGOKE-NSHDSACASA-N 2 1 265.361 -0.280 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124838331 813486439 /nfs/dbraw/zinc/48/64/39/813486439.db2.gz WCTPJJSBAKTICR-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124866940 813489426 /nfs/dbraw/zinc/48/94/26/813489426.db2.gz NZZMIHBSHQCGCL-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124872600 813490848 /nfs/dbraw/zinc/49/08/48/813490848.db2.gz LODRMVSCONCQKZ-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP CCCC[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001124867407 813491518 /nfs/dbraw/zinc/49/15/18/813491518.db2.gz VNEKPCAUIWAKHI-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124872477 813491531 /nfs/dbraw/zinc/49/15/31/813491531.db2.gz HIOBOGMFYYAAGZ-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001124872589 813491632 /nfs/dbraw/zinc/49/16/32/813491632.db2.gz LGHJCHDOFDOMCY-GFCCVEGCSA-N 2 1 265.361 -0.280 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001124872589 813491634 /nfs/dbraw/zinc/49/16/34/813491634.db2.gz LGHJCHDOFDOMCY-GFCCVEGCSA-N 2 1 265.361 -0.280 20 0 CBADMP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001124872953 813491653 /nfs/dbraw/zinc/49/16/53/813491653.db2.gz PTYVWWOIINIAGZ-ZDUSSCGKSA-N 2 1 294.403 -0.305 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124877731 813493773 /nfs/dbraw/zinc/49/37/73/813493773.db2.gz IJZCCNJEYPAQKD-LBPRGKRZSA-N 2 1 284.404 -0.441 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001124873583 813494197 /nfs/dbraw/zinc/49/41/97/813494197.db2.gz ZFHOTOCFYBLFLW-MNOVXSKESA-N 2 1 268.361 -0.935 20 0 CBADMP COc1cncc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001124879528 813494805 /nfs/dbraw/zinc/49/48/05/813494805.db2.gz VPEDAAXPSWAWKH-GFCCVEGCSA-N 2 1 293.371 -0.215 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001124879232 813495060 /nfs/dbraw/zinc/49/50/60/813495060.db2.gz QXWZVYWYNVMCOO-LLVKDONJSA-N 2 1 266.349 -0.885 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001124879232 813495063 /nfs/dbraw/zinc/49/50/63/813495063.db2.gz QXWZVYWYNVMCOO-LLVKDONJSA-N 2 1 266.349 -0.885 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001124879326 813495244 /nfs/dbraw/zinc/49/52/44/813495244.db2.gz RNNCIENHPXFNCU-LBPRGKRZSA-N 2 1 280.376 -0.402 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001124879326 813495247 /nfs/dbraw/zinc/49/52/47/813495247.db2.gz RNNCIENHPXFNCU-LBPRGKRZSA-N 2 1 280.376 -0.402 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOC2CCC2)C1 ZINC001125220211 813531800 /nfs/dbraw/zinc/53/18/00/813531800.db2.gz FHLQCMIPXMQSSZ-ZDUSSCGKSA-N 2 1 285.388 -0.408 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOC2CCC2)C1 ZINC001125220211 813531803 /nfs/dbraw/zinc/53/18/03/813531803.db2.gz FHLQCMIPXMQSSZ-ZDUSSCGKSA-N 2 1 285.388 -0.408 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125209324 813531853 /nfs/dbraw/zinc/53/18/53/813531853.db2.gz SAOUVMXFCJFZIJ-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125209324 813531860 /nfs/dbraw/zinc/53/18/60/813531860.db2.gz SAOUVMXFCJFZIJ-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP Cc1ncccc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125214928 813532351 /nfs/dbraw/zinc/53/23/51/813532351.db2.gz XRTCJLANDCAQPJ-CQSZACIVSA-N 2 1 292.383 -0.074 20 0 CBADMP Cc1ncccc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125214928 813532355 /nfs/dbraw/zinc/53/23/55/813532355.db2.gz XRTCJLANDCAQPJ-CQSZACIVSA-N 2 1 292.383 -0.074 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cncc(F)c2)C1 ZINC001125213842 813532378 /nfs/dbraw/zinc/53/23/78/813532378.db2.gz LWYGOOOFOCFGJP-ZDUSSCGKSA-N 2 1 296.346 -0.243 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cncc(F)c2)C1 ZINC001125213842 813532381 /nfs/dbraw/zinc/53/23/81/813532381.db2.gz LWYGOOOFOCFGJP-ZDUSSCGKSA-N 2 1 296.346 -0.243 20 0 CBADMP Cc1ccncc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125214915 813532429 /nfs/dbraw/zinc/53/24/29/813532429.db2.gz XNGPAEATZJTWAP-CQSZACIVSA-N 2 1 292.383 -0.074 20 0 CBADMP Cc1ccncc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125214915 813532432 /nfs/dbraw/zinc/53/24/32/813532432.db2.gz XNGPAEATZJTWAP-CQSZACIVSA-N 2 1 292.383 -0.074 20 0 CBADMP Cc1ccncc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125214913 813532885 /nfs/dbraw/zinc/53/28/85/813532885.db2.gz XNGPAEATZJTWAP-AWEZNQCLSA-N 2 1 292.383 -0.074 20 0 CBADMP Cc1ccncc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125214913 813532889 /nfs/dbraw/zinc/53/28/89/813532889.db2.gz XNGPAEATZJTWAP-AWEZNQCLSA-N 2 1 292.383 -0.074 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCC2CC2)C1 ZINC001125222403 813534394 /nfs/dbraw/zinc/53/43/94/813534394.db2.gz VRIWOLYUUIFXCK-LBPRGKRZSA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCC2CC2)C1 ZINC001125222403 813534400 /nfs/dbraw/zinc/53/44/00/813534400.db2.gz VRIWOLYUUIFXCK-LBPRGKRZSA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCCCO2)C1 ZINC001125221662 813535567 /nfs/dbraw/zinc/53/55/67/813535567.db2.gz RSYRDBGTSRKMRM-OLZOCXBDSA-N 2 1 285.388 -0.408 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCCCO2)C1 ZINC001125221662 813535570 /nfs/dbraw/zinc/53/55/70/813535570.db2.gz RSYRDBGTSRKMRM-OLZOCXBDSA-N 2 1 285.388 -0.408 20 0 CBADMP C[C@H](O)CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220525 813536025 /nfs/dbraw/zinc/53/60/25/813536025.db2.gz IOOYPYQMCLMMKB-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@H](O)CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220525 813536034 /nfs/dbraw/zinc/53/60/34/813536034.db2.gz IOOYPYQMCLMMKB-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP COC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125226838 813537488 /nfs/dbraw/zinc/53/74/88/813537488.db2.gz IILBWNITSTTWNY-WDEREUQCSA-N 2 1 259.350 -0.942 20 0 CBADMP COC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125226838 813537493 /nfs/dbraw/zinc/53/74/93/813537493.db2.gz IILBWNITSTTWNY-WDEREUQCSA-N 2 1 259.350 -0.942 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C/C=C\Cl)C1 ZINC001125226416 813537910 /nfs/dbraw/zinc/53/79/10/813537910.db2.gz BCFVHCJLPAHQMA-ZMWSMAPVSA-N 2 1 261.753 -0.225 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C/C=C\Cl)C1 ZINC001125226416 813537914 /nfs/dbraw/zinc/53/79/14/813537914.db2.gz BCFVHCJLPAHQMA-ZMWSMAPVSA-N 2 1 261.753 -0.225 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001127067500 813710338 /nfs/dbraw/zinc/71/03/38/813710338.db2.gz YKYAQOPOSRYFFF-QWRGUYRKSA-N 2 1 270.377 -0.561 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001127066452 813710436 /nfs/dbraw/zinc/71/04/36/813710436.db2.gz OUHZIKBGFDWESL-LBPRGKRZSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001127066452 813710438 /nfs/dbraw/zinc/71/04/38/813710438.db2.gz OUHZIKBGFDWESL-LBPRGKRZSA-N 2 1 294.403 -0.106 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127257355 813722573 /nfs/dbraw/zinc/72/25/73/813722573.db2.gz XVMPCHHYVNWZKY-STQMWFEESA-N 2 1 296.415 -0.297 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127638802 813738849 /nfs/dbraw/zinc/73/88/49/813738849.db2.gz QSHWBENUGYZTCG-GRYCIOLGSA-N 2 1 273.377 -0.960 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001127637933 813738766 /nfs/dbraw/zinc/73/87/66/813738766.db2.gz CMJKIELJAAIBAP-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001127643697 813738954 /nfs/dbraw/zinc/73/89/54/813738954.db2.gz HINRMWNEDDVOQJ-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cnn(C)n2)CC[N@@H+]1C ZINC001127638569 813739345 /nfs/dbraw/zinc/73/93/45/813739345.db2.gz MDLZVNPJJWDCEQ-ZYHUDNBSSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cnn(C)n2)CC[N@H+]1C ZINC001127638569 813739348 /nfs/dbraw/zinc/73/93/48/813739348.db2.gz MDLZVNPJJWDCEQ-ZYHUDNBSSA-N 2 1 280.376 -0.639 20 0 CBADMP CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001127643698 813739697 /nfs/dbraw/zinc/73/96/97/813739697.db2.gz HINRMWNEDDVOQJ-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]CC(N)=O ZINC001127685066 813740536 /nfs/dbraw/zinc/74/05/36/813740536.db2.gz AVIMKLUYTKHDIH-SNVBAGLBSA-N 2 1 281.360 -0.412 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127690985 813740996 /nfs/dbraw/zinc/74/09/96/813740996.db2.gz VMZPWUWAUZIMJM-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001127695473 813741795 /nfs/dbraw/zinc/74/17/95/813741795.db2.gz NDHIENQWLQCGHD-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC)CC[N@H+]1C ZINC001127701069 813741837 /nfs/dbraw/zinc/74/18/37/813741837.db2.gz GUCBDIBCAUCTOL-GRYCIOLGSA-N 2 1 284.404 -0.443 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127766306 813747034 /nfs/dbraw/zinc/74/70/34/813747034.db2.gz SUYLUYTWYVQKAJ-STQMWFEESA-N 2 1 285.388 -0.408 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001128773926 813797363 /nfs/dbraw/zinc/79/73/63/813797363.db2.gz IYCRFRKPBROXIT-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001128778735 813798535 /nfs/dbraw/zinc/79/85/35/813798535.db2.gz LEJYNUOOCHKRDO-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCO ZINC001128787246 813799217 /nfs/dbraw/zinc/79/92/17/813799217.db2.gz XRTKJFZMTDFADV-GFCCVEGCSA-N 2 1 257.378 -0.051 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001128779752 813799490 /nfs/dbraw/zinc/79/94/90/813799490.db2.gz XOUBSLTWFUDZKT-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001128783876 813800170 /nfs/dbraw/zinc/80/01/70/813800170.db2.gz JLDXVUUHCCJBFP-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129072335 813815386 /nfs/dbraw/zinc/81/53/86/813815386.db2.gz ZRQCXGYDOMCDGO-UPJWGTAASA-N 2 1 294.403 -0.020 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001129340132 813836627 /nfs/dbraw/zinc/83/66/27/813836627.db2.gz KXYBWRPAPQTGHW-LLVKDONJSA-N 2 1 270.377 -0.845 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001129341805 813836847 /nfs/dbraw/zinc/83/68/47/813836847.db2.gz ZQMUBAHYZPVPAB-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001129340134 813836961 /nfs/dbraw/zinc/83/69/61/813836961.db2.gz KXYBWRPAPQTGHW-NSHDSACASA-N 2 1 270.377 -0.845 20 0 CBADMP COC[C@H](C)[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129386042 813838646 /nfs/dbraw/zinc/83/86/46/813838646.db2.gz JHJCNGSYFIOMTC-QWHCGFSZSA-N 2 1 297.403 -0.446 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129362733 813838669 /nfs/dbraw/zinc/83/86/69/813838669.db2.gz CGIJPJGEVOKSOU-CYBMUJFWSA-N 2 1 285.388 -0.672 20 0 CBADMP CO[C@H](C)C[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129386444 813838721 /nfs/dbraw/zinc/83/87/21/813838721.db2.gz LGRRBYYGEYVCIT-OLZOCXBDSA-N 2 1 297.403 -0.446 20 0 CBADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+]CCCF ZINC001129387752 813839042 /nfs/dbraw/zinc/83/90/42/813839042.db2.gz YRNJXDBUHFPBJN-LBPRGKRZSA-N 2 1 285.367 -0.121 20 0 CBADMP CC(C)[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129387608 813839416 /nfs/dbraw/zinc/83/94/16/813839416.db2.gz XFKJNUPIKVRKSA-LBPRGKRZSA-N 2 1 267.377 -0.073 20 0 CBADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]CCF ZINC001129386463 813839435 /nfs/dbraw/zinc/83/94/35/813839435.db2.gz LTBQYQSGXJWPFO-LLVKDONJSA-N 2 1 271.340 -0.511 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21)C(N)=O ZINC001129417842 813841788 /nfs/dbraw/zinc/84/17/88/813841788.db2.gz QJPQJXUPKIBFTN-NXEZZACHSA-N 2 1 279.344 -0.660 20 0 CBADMP O=C(NCC[NH2+]CCOCCO)[C@H]1CCCc2[nH+]ccn21 ZINC001129418806 813842113 /nfs/dbraw/zinc/84/21/13/813842113.db2.gz WKDGVSKIMSMCFP-GFCCVEGCSA-N 2 1 296.371 -0.525 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)nn1 ZINC001129437346 813845810 /nfs/dbraw/zinc/84/58/10/813845810.db2.gz ZFKMAYQXHJBABF-GFCCVEGCSA-N 2 1 280.376 -0.639 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+]CCn1cncn1)C1CCC1 ZINC001129535691 813848437 /nfs/dbraw/zinc/84/84/37/813848437.db2.gz YFAHEPOQPTYURT-UHFFFAOYSA-N 2 1 280.376 -0.532 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129526492 813849527 /nfs/dbraw/zinc/84/95/27/813849527.db2.gz JLBXSMDRGJWSFU-UHFFFAOYSA-N 2 1 280.376 -0.495 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129526492 813849538 /nfs/dbraw/zinc/84/95/38/813849538.db2.gz JLBXSMDRGJWSFU-UHFFFAOYSA-N 2 1 280.376 -0.495 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+][C@H]1CCCNC1=O)C1CCC1 ZINC001129532214 813849855 /nfs/dbraw/zinc/84/98/55/813849855.db2.gz VJCJTKBBVVXCOH-LBPRGKRZSA-N 2 1 282.388 -0.545 20 0 CBADMP CN1CCC[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001129532356 813850706 /nfs/dbraw/zinc/85/07/06/813850706.db2.gz YZSKYYARGRGPKM-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129840742 813869792 /nfs/dbraw/zinc/86/97/92/813869792.db2.gz IRDRVLIZPHXNHO-NWDGAFQWSA-N 2 1 257.378 -0.053 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129854972 813870093 /nfs/dbraw/zinc/87/00/93/813870093.db2.gz ANRFFVYTIMPLFM-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)CC[C@H]2CCC[N@@H+]2C)nn1 ZINC001129842148 813870154 /nfs/dbraw/zinc/87/01/54/813870154.db2.gz UWHYXBABLVTPIO-CYBMUJFWSA-N 2 1 294.403 -0.105 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)CC[C@H]2CCC[N@H+]2C)nn1 ZINC001129842148 813870163 /nfs/dbraw/zinc/87/01/63/813870163.db2.gz UWHYXBABLVTPIO-CYBMUJFWSA-N 2 1 294.403 -0.105 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CCn1cncn1 ZINC001129840052 813870495 /nfs/dbraw/zinc/87/04/95/813870495.db2.gz FEXBXEXMPUNDHG-ZDUSSCGKSA-N 2 1 294.403 -0.142 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001129854975 813870556 /nfs/dbraw/zinc/87/05/56/813870556.db2.gz AQIZYGLXUVNGMT-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001129849462 813870714 /nfs/dbraw/zinc/87/07/14/813870714.db2.gz GFWPSKZCKVRGPI-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[C@H](O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129840743 813870980 /nfs/dbraw/zinc/87/09/80/813870980.db2.gz IRDRVLIZPHXNHO-RYUDHWBXSA-N 2 1 257.378 -0.053 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001129842032 813871311 /nfs/dbraw/zinc/87/13/11/813871311.db2.gz RZAZYBZEOXHFHO-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCCF)O1 ZINC001130180245 813913653 /nfs/dbraw/zinc/91/36/53/813913653.db2.gz JASRMENVDBQQFQ-GHMZBOCLSA-N 2 1 261.341 -0.229 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCCF)O1 ZINC001130180245 813913658 /nfs/dbraw/zinc/91/36/58/813913658.db2.gz JASRMENVDBQQFQ-GHMZBOCLSA-N 2 1 261.341 -0.229 20 0 CBADMP CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130075156 813905131 /nfs/dbraw/zinc/90/51/31/813905131.db2.gz OUKOBKOKHJSYJC-OLZOCXBDSA-N 2 1 294.403 -0.019 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC[C@H]2CCOC2)O1 ZINC001130182729 813914999 /nfs/dbraw/zinc/91/49/99/813914999.db2.gz VAIIZYSPBHSYJM-HZSPNIEDSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC[C@H]2CCOC2)O1 ZINC001130182729 813915005 /nfs/dbraw/zinc/91/50/05/813915005.db2.gz VAIIZYSPBHSYJM-HZSPNIEDSA-N 2 1 299.415 -0.162 20 0 CBADMP O=C(NCC[NH2+]CCOCCO)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130189105 813916297 /nfs/dbraw/zinc/91/62/97/813916297.db2.gz NFLHAQZOQIMVGX-ZIAGYGMSSA-N 2 1 299.415 -0.282 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H]2CCOC2)O1 ZINC001130184482 813916542 /nfs/dbraw/zinc/91/65/42/813916542.db2.gz SDTGWGJMBBYJPH-FRRDWIJNSA-N 2 1 285.388 -0.552 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H]2CCOC2)O1 ZINC001130184482 813916546 /nfs/dbraw/zinc/91/65/46/813916546.db2.gz SDTGWGJMBBYJPH-FRRDWIJNSA-N 2 1 285.388 -0.552 20 0 CBADMP CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1nncn1C)[NH+](C)C ZINC001130202887 813919169 /nfs/dbraw/zinc/91/91/69/813919169.db2.gz BCQIOZDXCWRYGL-WDEREUQCSA-N 2 1 282.392 -0.078 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130297252 813922831 /nfs/dbraw/zinc/92/28/31/813922831.db2.gz JKZKMYHVHWQVQW-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001130304028 813923953 /nfs/dbraw/zinc/92/39/53/813923953.db2.gz QRQLZCIEMQOFHS-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130297644 813924879 /nfs/dbraw/zinc/92/48/79/813924879.db2.gz OELMTMLXJOLMEQ-CYBMUJFWSA-N 2 1 294.403 -0.012 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130297771 813925416 /nfs/dbraw/zinc/92/54/16/813925416.db2.gz QXDSTTKGFXIFJV-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001130304020 813925816 /nfs/dbraw/zinc/92/58/16/813925816.db2.gz QLWZOJSXTNWFQR-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001130425283 813938198 /nfs/dbraw/zinc/93/81/98/813938198.db2.gz RMEOEIZQHPLION-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001130418952 813938363 /nfs/dbraw/zinc/93/83/63/813938363.db2.gz DIVKGWDSYILIGF-UHFFFAOYSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001130421813 813939263 /nfs/dbraw/zinc/93/92/63/813939263.db2.gz KBZDBKQVXZGKNE-JTQLQIEISA-N 2 1 270.377 -0.689 20 0 CBADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CC(N)=O ZINC001130618046 813956805 /nfs/dbraw/zinc/95/68/05/813956805.db2.gz QNVXDLBECWZPHM-UHFFFAOYSA-N 2 1 284.404 -0.170 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001130709213 813967906 /nfs/dbraw/zinc/96/79/06/813967906.db2.gz XFYAMXSYHANVFI-RYUDHWBXSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001130711447 813968329 /nfs/dbraw/zinc/96/83/29/813968329.db2.gz VPCWEGCZFQRMBG-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130713519 813969539 /nfs/dbraw/zinc/96/95/39/813969539.db2.gz RCPVKWAWTMCSPZ-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130713520 813970526 /nfs/dbraw/zinc/97/05/26/813970526.db2.gz RCPVKWAWTMCSPZ-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380564 814027823 /nfs/dbraw/zinc/02/78/23/814027823.db2.gz RAFKKALKVXVYND-UHFFFAOYSA-N 2 1 291.359 -0.291 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC(=O)NCC[NH+](CC)CC1 ZINC001131390901 814027845 /nfs/dbraw/zinc/02/78/45/814027845.db2.gz PQJRSBGAOXYYJI-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC(=O)NCC[NH+](CC)CC1 ZINC001131390901 814027849 /nfs/dbraw/zinc/02/78/49/814027849.db2.gz PQJRSBGAOXYYJI-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC(=O)NCC[N@@H+](CC)CC1 ZINC001131390901 814027852 /nfs/dbraw/zinc/02/78/52/814027852.db2.gz PQJRSBGAOXYYJI-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC(=O)NCC[N@H+](CC)CC1 ZINC001131390901 814027854 /nfs/dbraw/zinc/02/78/54/814027854.db2.gz PQJRSBGAOXYYJI-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001131380212 814028367 /nfs/dbraw/zinc/02/83/67/814028367.db2.gz HGMYFUOJWAUFFG-UHFFFAOYSA-N 2 1 293.371 -0.480 20 0 CBADMP O=C(NCC[NH2+]CCCF)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519655 814036738 /nfs/dbraw/zinc/03/67/38/814036738.db2.gz IRKPZSZPSLNXSD-MBHSVXNSSA-N 2 1 285.363 -0.085 20 0 CBADMP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520233 814036804 /nfs/dbraw/zinc/03/68/04/814036804.db2.gz VOGAGUHAPIEIMD-OYNVLQORSA-N 2 1 297.399 -0.410 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001131682396 814053819 /nfs/dbraw/zinc/05/38/19/814053819.db2.gz OQKFBVSYQJDSIU-ZFWWWQNUSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC(=O)N(C)C ZINC001132273740 814119937 /nfs/dbraw/zinc/11/99/37/814119937.db2.gz JBMVLQWKDHWTBB-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC(=O)N(C)C ZINC001132273740 814119943 /nfs/dbraw/zinc/11/99/43/814119943.db2.gz JBMVLQWKDHWTBB-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283968 814120098 /nfs/dbraw/zinc/12/00/98/814120098.db2.gz QFEMQSIEMTWTHX-UHFFFAOYSA-N 2 1 294.403 -0.105 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1CCO ZINC001132279411 814120939 /nfs/dbraw/zinc/12/09/39/814120939.db2.gz WSQBZLGGYDHRGA-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1CCO ZINC001132279405 814121020 /nfs/dbraw/zinc/12/10/20/814121020.db2.gz WSQBZLGGYDHRGA-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C[N@@H+]1CCO ZINC001132358735 814135912 /nfs/dbraw/zinc/13/59/12/814135912.db2.gz GWBTWWUEFTWFSJ-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C[N@H+]1CCO ZINC001132358735 814135918 /nfs/dbraw/zinc/13/59/18/814135918.db2.gz GWBTWWUEFTWFSJ-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001132736470 814182481 /nfs/dbraw/zinc/18/24/81/814182481.db2.gz APVVHWSXLVNKGS-LLVKDONJSA-N 2 1 270.377 -0.701 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC)C1 ZINC001132736948 814183117 /nfs/dbraw/zinc/18/31/17/814183117.db2.gz GSIRPEPETNWGGM-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC)C1 ZINC001132738393 814183253 /nfs/dbraw/zinc/18/32/53/814183253.db2.gz BJAAKNFEKYMQDX-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132848832 814193970 /nfs/dbraw/zinc/19/39/70/814193970.db2.gz TVBNYVDBRSDTJG-ZDUSSCGKSA-N 2 1 287.404 -0.162 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886593 814197964 /nfs/dbraw/zinc/19/79/64/814197964.db2.gz OMYUDSFAHNVGRJ-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)c1nnnn1C ZINC001132993436 814206334 /nfs/dbraw/zinc/20/63/34/814206334.db2.gz UGBRSNCSICVLTE-JTQLQIEISA-N 2 1 295.391 -0.681 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)CC2 ZINC001133001199 814208873 /nfs/dbraw/zinc/20/88/73/814208873.db2.gz VITPPYNXSDDPKT-MWLCHTKSSA-N 2 1 293.371 -0.666 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)CCC[NH+](C)C)nn1 ZINC001133051782 814212736 /nfs/dbraw/zinc/21/27/36/814212736.db2.gz OJDQVZPTMDWWTE-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133224781 814232069 /nfs/dbraw/zinc/23/20/69/814232069.db2.gz DVQJOBALEWTGKP-QWHCGFSZSA-N 2 1 298.431 -0.112 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)c1nnnn1C1CC1 ZINC001133298175 814239536 /nfs/dbraw/zinc/23/95/36/814239536.db2.gz ZDVPOBGKUIFKRK-JTQLQIEISA-N 2 1 295.391 -0.274 20 0 CBADMP CC(C)[C@H](C(=O)NCC[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001133415925 814252054 /nfs/dbraw/zinc/25/20/54/814252054.db2.gz VICJLHJAISMRSB-GFCCVEGCSA-N 2 1 282.392 -0.393 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)C(N)=O ZINC001133820042 814299130 /nfs/dbraw/zinc/29/91/30/814299130.db2.gz WMALJEYZARSTDB-NXEZZACHSA-N 2 1 256.350 -0.950 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)C(N)=O ZINC001133820044 814299793 /nfs/dbraw/zinc/29/97/93/814299793.db2.gz WMALJEYZARSTDB-VHSXEESVSA-N 2 1 256.350 -0.950 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001133819920 814299942 /nfs/dbraw/zinc/29/99/42/814299942.db2.gz RQGVOOQDZDSOMD-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001133819920 814299946 /nfs/dbraw/zinc/29/99/46/814299946.db2.gz RQGVOOQDZDSOMD-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001133820034 814300840 /nfs/dbraw/zinc/30/08/40/814300840.db2.gz WBLRYJDXTRTTJR-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001133833708 814301379 /nfs/dbraw/zinc/30/13/79/814301379.db2.gz CVMVTMBYWHPYPC-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001133820152 814303612 /nfs/dbraw/zinc/30/36/12/814303612.db2.gz ZXJLJMKQMLMVSX-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001133845511 814306754 /nfs/dbraw/zinc/30/67/54/814306754.db2.gz HPYNFSAJQJATOG-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845980 814306901 /nfs/dbraw/zinc/30/69/01/814306901.db2.gz RFUQXVQKSSKIRX-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001133845863 814306939 /nfs/dbraw/zinc/30/69/39/814306939.db2.gz OXFNZMQTNNIKBY-LBPRGKRZSA-N 2 1 297.403 -0.941 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845474 814307826 /nfs/dbraw/zinc/30/78/26/814307826.db2.gz GZCNVLGICRBHSQ-CYBMUJFWSA-N 2 1 298.431 -0.194 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cn(C)nn2)C1 ZINC001133846284 814307996 /nfs/dbraw/zinc/30/79/96/814307996.db2.gz XXBFGIDBMMJPMY-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cn(C)nn2)C1 ZINC001133846284 814308003 /nfs/dbraw/zinc/30/80/03/814308003.db2.gz XXBFGIDBMMJPMY-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001133849730 814308031 /nfs/dbraw/zinc/30/80/31/814308031.db2.gz COWYZOGESBBCIU-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001133850877 814308978 /nfs/dbraw/zinc/30/89/78/814308978.db2.gz QGMVAWLTJNGRJC-ZDUSSCGKSA-N 2 1 288.367 -0.610 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(N)=O ZINC001133845741 814309493 /nfs/dbraw/zinc/30/94/93/814309493.db2.gz MMYIZTWVTVPFGJ-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCc1ccnn1C ZINC001133862330 814311811 /nfs/dbraw/zinc/31/18/11/814311811.db2.gz CORSBCZGLLIIHH-OCCSQVGLSA-N 2 1 293.415 -0.134 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cncn2C)C1 ZINC001133853693 814312105 /nfs/dbraw/zinc/31/21/05/814312105.db2.gz OTINUWSJHQTOSA-GFCCVEGCSA-N 2 1 279.388 -0.032 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133862058 814312505 /nfs/dbraw/zinc/31/25/05/814312505.db2.gz AJHLYIKVXDGELW-QWHCGFSZSA-N 2 1 287.404 -0.447 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001133869285 814313490 /nfs/dbraw/zinc/31/34/90/814313490.db2.gz CLZSTVDZMQXFBL-QWRGUYRKSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001133869285 814313497 /nfs/dbraw/zinc/31/34/97/814313497.db2.gz CLZSTVDZMQXFBL-QWRGUYRKSA-N 2 1 280.376 -0.781 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[NH2+]CCCO)C2 ZINC001133867481 814314221 /nfs/dbraw/zinc/31/42/21/814314221.db2.gz VQLOXWKRUZQSAC-LBPRGKRZSA-N 2 1 280.372 -0.158 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C2 ZINC001133865291 814315877 /nfs/dbraw/zinc/31/58/77/814315877.db2.gz CAUQIEFHLUYABG-GXSJLCMTSA-N 2 1 293.371 -0.666 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133873288 814316621 /nfs/dbraw/zinc/31/66/21/814316621.db2.gz UAUFTGNDBNQCPJ-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133870151 814318279 /nfs/dbraw/zinc/31/82/79/814318279.db2.gz QQJVFFQQVUNCPB-WDEREUQCSA-N 2 1 270.377 -0.974 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001133870437 814318995 /nfs/dbraw/zinc/31/89/95/814318995.db2.gz UAEMDSDSHKPZQQ-ZYHUDNBSSA-N 2 1 280.376 -0.781 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+][C@@H]1CCCNC1=O)CC(C)(C)C ZINC001133899396 814319357 /nfs/dbraw/zinc/31/93/57/814319357.db2.gz FTKZXVLXVLNBDV-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP O=C(NCC[NH2+]CCCO)c1cc(C[NH+]2CCCC2)on1 ZINC001133890335 814319742 /nfs/dbraw/zinc/31/97/42/814319742.db2.gz PKYKUXGVHVCYRH-UHFFFAOYSA-N 2 1 296.371 -0.028 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133893343 814320173 /nfs/dbraw/zinc/32/01/73/814320173.db2.gz DOLZRDKWBPLMIX-UHFFFAOYSA-N 2 1 294.403 -0.247 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133893343 814320184 /nfs/dbraw/zinc/32/01/84/814320184.db2.gz DOLZRDKWBPLMIX-UHFFFAOYSA-N 2 1 294.403 -0.247 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133908041 814322092 /nfs/dbraw/zinc/32/20/92/814322092.db2.gz FBSKKGSVWRETRK-NSHDSACASA-N 2 1 286.420 -0.195 20 0 CBADMP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134613062 814398889 /nfs/dbraw/zinc/39/88/89/814398889.db2.gz RWMVQNPKAJSHIB-GHMZBOCLSA-N 2 1 284.404 -0.171 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001134762777 814411498 /nfs/dbraw/zinc/41/14/98/814411498.db2.gz GCTVELXUCISBFJ-QWHCGFSZSA-N 2 1 296.415 -0.156 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134759535 814411907 /nfs/dbraw/zinc/41/19/07/814411907.db2.gz SARPXLFWESWGAM-LBPRGKRZSA-N 2 1 284.404 -0.299 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001135028029 814431515 /nfs/dbraw/zinc/43/15/15/814431515.db2.gz BLTFEHCUXSMUKS-NXEZZACHSA-N 2 1 281.360 -0.450 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135095684 814436886 /nfs/dbraw/zinc/43/68/86/814436886.db2.gz NTGKYQHXKBCFOO-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP O=C(NCC[NH2+]CCOCCO)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135095679 814437545 /nfs/dbraw/zinc/43/75/45/814437545.db2.gz NRFAORRSGDXSRJ-UONOGXRCSA-N 2 1 299.415 -0.282 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001135307272 814460862 /nfs/dbraw/zinc/46/08/62/814460862.db2.gz TUAIXVFUJZEWRJ-GFCCVEGCSA-N 2 1 293.371 -0.434 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997570 815605762 /nfs/dbraw/zinc/60/57/62/815605762.db2.gz SFFQLEQHFBNMMM-ZDUSSCGKSA-N 2 1 287.404 -0.426 20 0 CBADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1COC[NH2+]1 ZINC001159929999 815605847 /nfs/dbraw/zinc/60/58/47/815605847.db2.gz OCVHGVAKJOONFJ-RWMBFGLXSA-N 2 1 282.388 -0.831 20 0 CBADMP CC[C@H](C[NH2+]CCNC(=O)CC[NH+]1CCOCC1)OC ZINC001135352560 814467930 /nfs/dbraw/zinc/46/79/30/814467930.db2.gz HSICGNOZFYUNMQ-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP C[C@@H]1CC[C@@H](C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)O1 ZINC001135352704 814469023 /nfs/dbraw/zinc/46/90/23/814469023.db2.gz OOBQTGUVYFTJQP-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001159929334 815606340 /nfs/dbraw/zinc/60/63/40/815606340.db2.gz CLYPXQQSJOBURE-XDQVBPFNSA-N 2 1 280.416 -0.040 20 0 CBADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001159929334 815606345 /nfs/dbraw/zinc/60/63/45/815606345.db2.gz CLYPXQQSJOBURE-XDQVBPFNSA-N 2 1 280.416 -0.040 20 0 CBADMP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nccn1C ZINC001135508449 814479211 /nfs/dbraw/zinc/47/92/11/814479211.db2.gz MTWXLYAOSKSYIN-UHFFFAOYSA-N 2 1 267.377 -0.032 20 0 CBADMP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001135508275 814479603 /nfs/dbraw/zinc/47/96/03/814479603.db2.gz IOPJNSMYLHIWTO-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001135510574 814479660 /nfs/dbraw/zinc/47/96/60/814479660.db2.gz BDNGWVVTCYHPPV-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001135511399 814481039 /nfs/dbraw/zinc/48/10/39/814481039.db2.gz QJUDYFPEDQCEDK-NSHDSACASA-N 2 1 282.392 -0.076 20 0 CBADMP [NH3+]C[C@@H](O)CC(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156968 815611507 /nfs/dbraw/zinc/61/15/07/815611507.db2.gz RAMYVYABAUORAB-RWMBFGLXSA-N 2 1 283.372 -0.982 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157052 815612161 /nfs/dbraw/zinc/61/21/61/815612161.db2.gz UOJNLWDAJLHTGS-JLLWLGSASA-N 2 1 253.346 -0.345 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CC(N)=O ZINC001160274506 815614610 /nfs/dbraw/zinc/61/46/10/815614610.db2.gz USMCPWOUDFSJKF-NSHDSACASA-N 2 1 270.377 -0.558 20 0 CBADMP CC1CC[NH+](CC(=O)NCC[NH2+]Cc2ncnn2C)CC1 ZINC001135706726 814514039 /nfs/dbraw/zinc/51/40/39/814514039.db2.gz BIVAKMGPUNULLP-UHFFFAOYSA-N 2 1 294.403 -0.247 20 0 CBADMP CCOC(=O)C1=C(O)CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001160427759 815619428 /nfs/dbraw/zinc/61/94/28/815619428.db2.gz NZHAXVGOHMAMKD-UWVGGRQHSA-N 2 1 285.344 -0.967 20 0 CBADMP CC[N@@H+]1CC[C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC001136076682 814551896 /nfs/dbraw/zinc/55/18/96/814551896.db2.gz UNLPQWOBNFGGCO-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP CC[N@H+]1CC[C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC001136076682 814551903 /nfs/dbraw/zinc/55/19/03/814551903.db2.gz UNLPQWOBNFGGCO-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)C(=O)c1ccco1 ZINC001142288244 814706698 /nfs/dbraw/zinc/70/66/98/814706698.db2.gz ZSOPCDIYGSDYOU-UHFFFAOYSA-N 2 1 252.274 -0.077 20 0 CBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CC[NH2+]3)CC[C@@H]2C1 ZINC001159634843 815582394 /nfs/dbraw/zinc/58/23/94/815582394.db2.gz FKOOVDZIKILYLV-HZSPNIEDSA-N 2 1 297.399 -0.456 20 0 CBADMP CN1CC[NH+](CCC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC001143230799 814764684 /nfs/dbraw/zinc/76/46/84/814764684.db2.gz FMIXNNOBOFYOAU-UHFFFAOYSA-N 2 1 280.416 -0.070 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)CCN1CC[NH+](C)CC1 ZINC001143236750 814765017 /nfs/dbraw/zinc/76/50/17/814765017.db2.gz SUVOMCNLVYBXHS-LBPRGKRZSA-N 2 1 256.394 -0.310 20 0 CBADMP CN1CC[NH+](CCC(=O)NC[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001143238038 814766046 /nfs/dbraw/zinc/76/60/46/814766046.db2.gz VTIOCMXPKDOBBV-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP C[N@@H+]1CC[C@@H](CNC(=O)CCN2CC[NH+](C)CC2)C1 ZINC001143238038 814766051 /nfs/dbraw/zinc/76/60/51/814766051.db2.gz VTIOCMXPKDOBBV-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)CCN2CC[NH+](C)CC2)C1 ZINC001143238038 814766055 /nfs/dbraw/zinc/76/60/55/814766055.db2.gz VTIOCMXPKDOBBV-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)CN(C)C(N)=[NH2+])CC2)c1 ZINC001144132053 814773322 /nfs/dbraw/zinc/77/33/22/814773322.db2.gz CIIINRWJKOIHSB-UHFFFAOYSA-N 2 1 290.371 -0.136 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(N)=[NH2+])C1 ZINC001144135956 814773422 /nfs/dbraw/zinc/77/34/22/814773422.db2.gz HLIDSOUPJCTXEC-SNVBAGLBSA-N 2 1 255.366 -0.247 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001146595282 814841323 /nfs/dbraw/zinc/84/13/23/814841323.db2.gz YFEWQFUSQVUCRO-MNOVXSKESA-N 2 1 272.393 -0.315 20 0 CBADMP CCN1CC[C@H]([NH2+]CCNC(=O)CC[N@@H+](C)CC)C1=O ZINC001146710227 814843603 /nfs/dbraw/zinc/84/36/03/814843603.db2.gz GQKZDNMACXYAHL-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001146710766 814844163 /nfs/dbraw/zinc/84/41/63/814844163.db2.gz MWLQWQBQCZWCQV-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146718437 814845272 /nfs/dbraw/zinc/84/52/72/814845272.db2.gz BCZLJMVIJRIIAR-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nncn1C ZINC001146719957 814846030 /nfs/dbraw/zinc/84/60/30/814846030.db2.gz YEUXNRHTZNMUFQ-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nncn1C ZINC001146719957 814846035 /nfs/dbraw/zinc/84/60/35/814846035.db2.gz YEUXNRHTZNMUFQ-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)COCC[NH+](C)C)n1 ZINC001147842130 814919403 /nfs/dbraw/zinc/91/94/03/814919403.db2.gz OGOFLHIHZNIDDQ-UHFFFAOYSA-N 2 1 298.391 -0.918 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001147877038 814920389 /nfs/dbraw/zinc/92/03/89/814920389.db2.gz CXZCFUXOAOWPMV-NSHDSACASA-N 2 1 291.417 -0.921 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001147885463 814921799 /nfs/dbraw/zinc/92/17/99/814921799.db2.gz MJLBRLMKCCKLKQ-NWDGAFQWSA-N 2 1 282.388 -0.687 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878092 814921823 /nfs/dbraw/zinc/92/18/23/814921823.db2.gz RPVRHGVLDWNMBQ-NSHDSACASA-N 2 1 270.377 -0.830 20 0 CBADMP Cn1nncc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878138 814922184 /nfs/dbraw/zinc/92/21/84/814922184.db2.gz TYFDRJYMQPAIHZ-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877566 814923082 /nfs/dbraw/zinc/92/30/82/814923082.db2.gz LQTZWKVSJOBZCL-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001147878439 814923112 /nfs/dbraw/zinc/92/31/12/814923112.db2.gz YVVLKKDSXDXNGT-LBPRGKRZSA-N 2 1 279.388 -0.032 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001147878439 814923118 /nfs/dbraw/zinc/92/31/18/814923118.db2.gz YVVLKKDSXDXNGT-LBPRGKRZSA-N 2 1 279.388 -0.032 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CCOCCO)C1 ZINC001147886455 814923977 /nfs/dbraw/zinc/92/39/77/814923977.db2.gz WPFUZEFHASKTIZ-GFCCVEGCSA-N 2 1 273.377 -0.957 20 0 CBADMP [NH3+]Cc1cc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)ncn1 ZINC001160510373 815631736 /nfs/dbraw/zinc/63/17/36/815631736.db2.gz HTHUBYVJAVQQEM-CYBMUJFWSA-N 3 1 262.361 -0.230 20 0 CBADMP Cn1nnc2c1ncnc2N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160517112 815633195 /nfs/dbraw/zinc/63/31/95/815633195.db2.gz BDRQDPBCFTWESY-CYBMUJFWSA-N 2 1 288.359 -0.407 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC2(C1)CN(c1ccccc1)C2=O ZINC001160573317 815639739 /nfs/dbraw/zinc/63/97/39/815639739.db2.gz JFMLYGDQGVUIER-LBPRGKRZSA-N 2 1 288.351 -0.462 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC001160636066 815648088 /nfs/dbraw/zinc/64/80/88/815648088.db2.gz FTFISDUQGHOIMS-ZJUUUORDSA-N 2 1 252.322 -0.882 20 0 CBADMP NC[C@@H]([NH3+])c1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC001160646043 815650697 /nfs/dbraw/zinc/65/06/97/815650697.db2.gz USCGRIMGIPIGJZ-QWHCGFSZSA-N 2 1 278.356 -0.555 20 0 CBADMP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160704332 815660260 /nfs/dbraw/zinc/66/02/60/815660260.db2.gz JPHWWDVLNGTIQC-LOWVWBTDSA-N 2 1 277.372 -0.690 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(N)CCC[NH2+]C3)C[C@H]2C1 ZINC001160703350 815660591 /nfs/dbraw/zinc/66/05/91/815660591.db2.gz BZUWTYWWVKDPMH-NTZNESFSSA-N 2 1 252.362 -0.913 20 0 CBADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN2CCC1CC2 ZINC001160726540 815665778 /nfs/dbraw/zinc/66/57/78/815665778.db2.gz PIQIOXYFWVQULG-LBPRGKRZSA-N 2 1 254.378 -0.251 20 0 CBADMP O=C([C@@H]1COC[NH2+]1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160778735 815670456 /nfs/dbraw/zinc/67/04/56/815670456.db2.gz CIQBHKPMYFKIOY-YCPHGPKFSA-N 2 1 287.363 -0.068 20 0 CBADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001160825791 815675066 /nfs/dbraw/zinc/67/50/66/815675066.db2.gz KVUXEFMZRNRTBN-PJXYFTJBSA-N 2 1 287.367 -0.222 20 0 CBADMP Nc1ccc[nH+]c1N1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC001160826044 815675194 /nfs/dbraw/zinc/67/51/94/815675194.db2.gz QIEZCRACWHUCLA-UHFFFAOYSA-N 2 1 261.329 -0.196 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC001160833084 815676002 /nfs/dbraw/zinc/67/60/02/815676002.db2.gz MRWPQLWJIKHPRW-ZETCQYMHSA-N 2 1 291.277 -0.011 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCF)O1 ZINC001160850755 815681257 /nfs/dbraw/zinc/68/12/57/815681257.db2.gz GFFJZHYSKFQLFV-GHMZBOCLSA-N 2 1 261.341 -0.229 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCF)O1 ZINC001160850755 815681261 /nfs/dbraw/zinc/68/12/61/815681261.db2.gz GFFJZHYSKFQLFV-GHMZBOCLSA-N 2 1 261.341 -0.229 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H]2CCOC2)O1 ZINC001160857335 815681318 /nfs/dbraw/zinc/68/13/18/815681318.db2.gz FLBLHDGAYIWLOC-MGPQQGTHSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H]2CCOC2)O1 ZINC001160857335 815681323 /nfs/dbraw/zinc/68/13/23/815681323.db2.gz FLBLHDGAYIWLOC-MGPQQGTHSA-N 2 1 299.415 -0.162 20 0 CBADMP NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160866320 815682654 /nfs/dbraw/zinc/68/26/54/815682654.db2.gz AOUJFUXOCIAPMU-NWDGAFQWSA-N 2 1 282.388 -0.416 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1c1cccnc1 ZINC001160952615 815689700 /nfs/dbraw/zinc/68/97/00/815689700.db2.gz WJSOCZPVWJMMPO-NWDGAFQWSA-N 2 1 264.329 -0.342 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967162 815691422 /nfs/dbraw/zinc/69/14/22/815691422.db2.gz JROIZKLJSJMSBH-SFYZADRCSA-N 2 1 279.287 -0.538 20 0 CBADMP [NH3+]CCCNCC(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160972151 815692867 /nfs/dbraw/zinc/69/28/67/815692867.db2.gz PMUIDGHCDYZMLX-MRVPVSSYSA-N 2 1 250.293 -0.880 20 0 CBADMP [NH3+]CCCNCC(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160972152 815693447 /nfs/dbraw/zinc/69/34/47/815693447.db2.gz PMUIDGHCDYZMLX-QMMMGPOBSA-N 2 1 250.293 -0.880 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CCN1 ZINC001161015945 815697034 /nfs/dbraw/zinc/69/70/34/815697034.db2.gz MVSNKAMMNRAGEX-NEPJUHHUSA-N 2 1 256.394 -0.134 20 0 CBADMP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161040479 815702287 /nfs/dbraw/zinc/70/22/87/815702287.db2.gz AMWMVFCGWMZLOR-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001161049228 815702711 /nfs/dbraw/zinc/70/27/11/815702711.db2.gz DHCIQKOMOFOTPQ-RYUDHWBXSA-N 3 1 256.394 -0.006 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC001161049911 815703512 /nfs/dbraw/zinc/70/35/12/815703512.db2.gz JHLHXCGAKBXPMA-WOPDTQHZSA-N 2 1 255.362 -0.350 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001161049931 815704255 /nfs/dbraw/zinc/70/42/55/815704255.db2.gz JUYDOTRVYHJAOW-RYUDHWBXSA-N 3 1 288.461 -0.053 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC001161049910 815704354 /nfs/dbraw/zinc/70/43/54/815704354.db2.gz JHLHXCGAKBXPMA-SRVKXCTJSA-N 2 1 255.362 -0.350 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161050480 815705760 /nfs/dbraw/zinc/70/57/60/815705760.db2.gz NPCNJUKMMVWFNY-STQMWFEESA-N 3 1 280.416 -0.264 20 0 CBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C[C@@H]21 ZINC001161081189 815708699 /nfs/dbraw/zinc/70/86/99/815708699.db2.gz GWYHPIRAGCDDJB-FAQIYOQMSA-N 2 1 287.429 -0.365 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C[C@@H]21 ZINC001161081189 815708702 /nfs/dbraw/zinc/70/87/02/815708702.db2.gz GWYHPIRAGCDDJB-FAQIYOQMSA-N 2 1 287.429 -0.365 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C[C@@H]21 ZINC001161081349 815708851 /nfs/dbraw/zinc/70/88/51/815708851.db2.gz ITJSUPIDGDNUIN-DRZSPHRISA-N 2 1 277.372 -0.168 20 0 CBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C[C@@H]21 ZINC001161081190 815708901 /nfs/dbraw/zinc/70/89/01/815708901.db2.gz GWYHPIRAGCDDJB-FCOUNWEESA-N 2 1 287.429 -0.365 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C[C@@H]21 ZINC001161081190 815708904 /nfs/dbraw/zinc/70/89/04/815708904.db2.gz GWYHPIRAGCDDJB-FCOUNWEESA-N 2 1 287.429 -0.365 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@H]21 ZINC001161081028 815708935 /nfs/dbraw/zinc/70/89/35/815708935.db2.gz CJYBHJABNMPZCX-NOOOWODRSA-N 2 1 252.362 -0.914 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3cnc[nH]3)C[C@@H]21 ZINC001161081353 815709054 /nfs/dbraw/zinc/70/90/54/815709054.db2.gz ITJSUPIDGDNUIN-RTXFEEFZSA-N 2 1 277.372 -0.168 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@H]21 ZINC001161080948 815709140 /nfs/dbraw/zinc/70/91/40/815709140.db2.gz AAQZPOCFHJEGCX-GRYCIOLGSA-N 3 1 286.445 -0.442 20 0 CBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]21 ZINC001161080948 815709147 /nfs/dbraw/zinc/70/91/47/815709147.db2.gz AAQZPOCFHJEGCX-GRYCIOLGSA-N 2 1 286.445 -0.442 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]21 ZINC001161080948 815709151 /nfs/dbraw/zinc/70/91/51/815709151.db2.gz AAQZPOCFHJEGCX-GRYCIOLGSA-N 2 1 286.445 -0.442 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]21 ZINC001161081140 815709513 /nfs/dbraw/zinc/70/95/13/815709513.db2.gz FVQMJSDBJACPQN-AVGNSLFASA-N 3 1 268.405 -0.005 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@]3(N)CCC[NH2+]C3)C[C@H]21 ZINC001161081136 815709846 /nfs/dbraw/zinc/70/98/46/815709846.db2.gz FSLCARNIYHQSLC-YRGRVCCFSA-N 2 1 266.389 -0.380 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)CNC3CC[NH2+]CC3)C[C@@H]21 ZINC001161081241 815709901 /nfs/dbraw/zinc/70/99/01/815709901.db2.gz HYRSRIUNPUSBMU-JSGCOSHPSA-N 2 1 280.416 -0.119 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])C[C@H]21 ZINC001161082887 815710709 /nfs/dbraw/zinc/71/07/09/815710709.db2.gz QGXNEEUBIZHCJF-FRRDWIJNSA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@H]21 ZINC001161081877 815711265 /nfs/dbraw/zinc/71/12/65/815711265.db2.gz MHOPJWZWXQOMBP-IRCOFANPSA-N 2 1 253.346 -0.738 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001161083240 815711601 /nfs/dbraw/zinc/71/16/01/815711601.db2.gz RRCGPFTVBOSQLV-WOPDTQHZSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001161083240 815711605 /nfs/dbraw/zinc/71/16/05/815711605.db2.gz RRCGPFTVBOSQLV-WOPDTQHZSA-N 2 1 283.372 -0.181 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)C[C@@H]21 ZINC001161084039 815711991 /nfs/dbraw/zinc/71/19/91/815711991.db2.gz WLAVQRUZFRWCOF-AGIUHOORSA-N 2 1 267.373 -0.083 20 0 CBADMP CN(CCO)C(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001161107174 815715765 /nfs/dbraw/zinc/71/57/65/815715765.db2.gz BIFLPVYZMHZNPW-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP COC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])[C@@H]1C ZINC001161117656 815717593 /nfs/dbraw/zinc/71/75/93/815717593.db2.gz QFBFWPNEFUHIKN-BBBLOLIVSA-N 2 1 257.334 -0.537 20 0 CBADMP CNC(=O)C[NH+]1CCC(Nc2cc(C[NH3+])ncn2)CC1 ZINC001161135839 815718818 /nfs/dbraw/zinc/71/88/18/815718818.db2.gz OJAFGLQQQPAYOP-UHFFFAOYSA-N 2 1 278.360 -0.442 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@H]2C1 ZINC001161174681 815725008 /nfs/dbraw/zinc/72/50/08/815725008.db2.gz CHOWBBMMZXHVJT-OKILXGFUSA-N 2 1 280.416 -0.308 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C[C@H]2C1 ZINC001161175195 815725190 /nfs/dbraw/zinc/72/51/90/815725190.db2.gz IUDNWJKGSWDNQN-CTASWTNQSA-N 2 1 292.427 -0.262 20 0 CBADMP C[C@H]1CN(C(=O)[C@@H]2COC(C)(C)C[NH2+]2)C[C@H](C)[NH2+]1 ZINC001161231955 815730326 /nfs/dbraw/zinc/73/03/26/815730326.db2.gz VGHQAAJPTIELAL-DCAQKATOSA-N 2 1 255.362 -0.038 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NC ZINC001161226254 815730357 /nfs/dbraw/zinc/73/03/57/815730357.db2.gz ABNGYOFLSKHCRN-UHFFFAOYSA-N 2 1 272.393 -0.441 20 0 CBADMP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001161239606 815733389 /nfs/dbraw/zinc/73/33/89/815733389.db2.gz NJRUWYNTUAAFIJ-GXSJLCMTSA-N 2 1 255.297 -0.821 20 0 CBADMP N[C@@H]1C[C@]2(C(=O)N3CC[C@@](F)(C[NH3+])C3)CC[C@H]1[NH2+]2 ZINC001161239890 815733763 /nfs/dbraw/zinc/73/37/63/815733763.db2.gz SZAHVDWPRQHGFY-IQIPOGNMSA-N 2 1 256.325 -0.893 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161251520 815734363 /nfs/dbraw/zinc/73/43/63/815734363.db2.gz QZHISOPTURBDCV-UHFFFAOYSA-N 2 1 286.420 -0.051 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(N2CCCOC2=O)CC1 ZINC001161264673 815735060 /nfs/dbraw/zinc/73/50/60/815735060.db2.gz QOBRYMFPTBTRHR-NSHDSACASA-N 2 1 284.360 -0.504 20 0 CBADMP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001161306536 815738344 /nfs/dbraw/zinc/73/83/44/815738344.db2.gz PCIVCEXFEMYZNP-LBPRGKRZSA-N 3 1 277.372 -0.285 20 0 CBADMP Cc1ccnc(N2CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2)n1 ZINC001161297909 815738585 /nfs/dbraw/zinc/73/85/85/815738585.db2.gz CNEFUNDXBSXHFT-NSHDSACASA-N 2 1 278.360 -0.890 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321703 815740195 /nfs/dbraw/zinc/74/01/95/815740195.db2.gz NRFFSXFPVVALES-OBJOEFQTSA-N 3 1 298.431 -0.060 20 0 CBADMP CCN(C(=O)C[N@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC001161338334 815744103 /nfs/dbraw/zinc/74/41/03/815744103.db2.gz DWSPZGCUUZTECL-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP CCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)[C@H]1CCC[NH2+]C1 ZINC001161339034 815745604 /nfs/dbraw/zinc/74/56/04/815745604.db2.gz HWXUAECADDWJGZ-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP COC(=O)[C@@]1(C)COCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001161373761 815747267 /nfs/dbraw/zinc/74/72/67/815747267.db2.gz RTJLRDDKNAYUFC-CQSZACIVSA-N 2 1 299.371 -0.882 20 0 CBADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[NH2+]C[C@H]3F)C2)CC1 ZINC001161376789 815749124 /nfs/dbraw/zinc/74/91/24/815749124.db2.gz DFFHKRJFESULHD-MGPQQGTHSA-N 3 1 298.406 -0.042 20 0 CBADMP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161424064 815754150 /nfs/dbraw/zinc/75/41/50/815754150.db2.gz XTQGALGCUVHSDF-QLFBSQMISA-N 2 1 292.427 -0.023 20 0 CBADMP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161422075 815754711 /nfs/dbraw/zinc/75/47/11/815754711.db2.gz ZFRYWAIUGHNZNN-CHWSQXEVSA-N 3 1 278.400 -0.223 20 0 CBADMP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN2CC[C@@H]2C1 ZINC001161422075 815754714 /nfs/dbraw/zinc/75/47/14/815754714.db2.gz ZFRYWAIUGHNZNN-CHWSQXEVSA-N 2 1 278.400 -0.223 20 0 CBADMP C[NH+](C)CCN(C(=O)[C@]1(C)COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161444658 815755621 /nfs/dbraw/zinc/75/56/21/815755621.db2.gz JRXOPNGBHURWLP-HIFRSBDPSA-N 3 1 298.431 -0.493 20 0 CBADMP C[C@]1(C[NH3+])CCCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001161490210 815761802 /nfs/dbraw/zinc/76/18/02/815761802.db2.gz VNKBFPXSCQXCIP-CQSZACIVSA-N 3 1 268.405 -0.085 20 0 CBADMP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCNC2(CC2)C1 ZINC001161545482 815769406 /nfs/dbraw/zinc/76/94/06/815769406.db2.gz UPMZANWWNLNXBB-GFCCVEGCSA-N 2 1 278.400 -0.175 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550055 815769508 /nfs/dbraw/zinc/76/95/08/815769508.db2.gz AVRDNNUHEBFQCO-LLVKDONJSA-N 2 1 252.362 -0.803 20 0 CBADMP NS(=O)(=O)c1ccnc(NCC[NH+]2CCC([NH3+])CC2)c1 ZINC001161872820 815792196 /nfs/dbraw/zinc/79/21/96/815792196.db2.gz LPCVSMFTCIKSSY-UHFFFAOYSA-N 2 1 299.400 -0.436 20 0 CBADMP [NH3+]C1CC[NH+](CCNc2cc(C3C[NH2+]C3)ncn2)CC1 ZINC001161872881 815792519 /nfs/dbraw/zinc/79/25/19/815792519.db2.gz OWKIMKCUBCSCDH-UHFFFAOYSA-N 3 1 276.388 -0.002 20 0 CBADMP C[NH2+]C1CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C1 ZINC001163706136 815896415 /nfs/dbraw/zinc/89/64/15/815896415.db2.gz JGOJTYZGTBWAGE-UHFFFAOYSA-N 2 1 290.371 -0.676 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)[NH+](C)C ZINC001292392500 816443454 /nfs/dbraw/zinc/44/34/54/816443454.db2.gz VBIANGMIAILXQU-QJPTWQEYSA-N 2 1 257.378 -0.102 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001292584185 816468866 /nfs/dbraw/zinc/46/88/66/816468866.db2.gz LFDZVUJQSVFRGY-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001292584185 816468870 /nfs/dbraw/zinc/46/88/70/816468870.db2.gz LFDZVUJQSVFRGY-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001292584185 816468876 /nfs/dbraw/zinc/46/88/76/816468876.db2.gz LFDZVUJQSVFRGY-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCNC(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC001292765834 816484473 /nfs/dbraw/zinc/48/44/73/816484473.db2.gz OFYIUHHMXAOAQG-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001292766308 816484495 /nfs/dbraw/zinc/48/44/95/816484495.db2.gz FYKPNXROTLPYEP-GFCCVEGCSA-N 2 1 294.399 -0.734 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCNC(=O)CC[NH+](C)C)C1 ZINC001293078873 816501976 /nfs/dbraw/zinc/50/19/76/816501976.db2.gz DNHCZMHMMVCKOT-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP C[NH+](C)CCC(=O)NCCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001316846309 816891726 /nfs/dbraw/zinc/89/17/26/816891726.db2.gz YFTDRDARFARUJS-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001316865766 816894682 /nfs/dbraw/zinc/89/46/82/816894682.db2.gz SCKDEUYKZAZYRS-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001316865766 816894687 /nfs/dbraw/zinc/89/46/87/816894687.db2.gz SCKDEUYKZAZYRS-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001316865766 816894694 /nfs/dbraw/zinc/89/46/94/816894694.db2.gz SCKDEUYKZAZYRS-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP COCCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317092370 816930899 /nfs/dbraw/zinc/93/08/99/816930899.db2.gz FKGPSFSGBVNRMC-MGPQQGTHSA-N 2 1 299.415 -0.162 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCO ZINC001317246670 816949671 /nfs/dbraw/zinc/94/96/71/816949671.db2.gz WYMJZVPIVIFUBY-NWDGAFQWSA-N 2 1 257.378 -0.053 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001317253879 816950326 /nfs/dbraw/zinc/95/03/26/816950326.db2.gz SDCDLTGWJBKZQM-PSASIEDQSA-N 2 1 267.333 -0.840 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001317253891 816950480 /nfs/dbraw/zinc/95/04/80/816950480.db2.gz SDCDLTGWJBKZQM-WCBMZHEXSA-N 2 1 267.333 -0.840 20 0 CBADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CCCO ZINC001317274718 816956406 /nfs/dbraw/zinc/95/64/06/816956406.db2.gz DCXAVLUAAJHMOG-GFCCVEGCSA-N 2 1 273.377 -0.815 20 0 CBADMP CCCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317290112 816958804 /nfs/dbraw/zinc/95/88/04/816958804.db2.gz ONZABFQCPICTFY-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@H+](CCCOC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001317477956 816993488 /nfs/dbraw/zinc/99/34/88/816993488.db2.gz SFHNWRQPXKCIJK-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[N@@H+](CCCOC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001317477956 816993492 /nfs/dbraw/zinc/99/34/92/816993492.db2.gz SFHNWRQPXKCIJK-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+](CCCOC)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001317477956 816993498 /nfs/dbraw/zinc/99/34/98/816993498.db2.gz SFHNWRQPXKCIJK-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+](CCCOC)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001317477956 816993502 /nfs/dbraw/zinc/99/35/02/816993502.db2.gz SFHNWRQPXKCIJK-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CN(CC[NH2+]CCNC(=O)C1CC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001317574083 817017389 /nfs/dbraw/zinc/01/73/89/817017389.db2.gz UIHUQUKXQXMYNE-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001317578272 817018882 /nfs/dbraw/zinc/01/88/82/817018882.db2.gz JLCLWKSSVVZXDG-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001317578272 817018892 /nfs/dbraw/zinc/01/88/92/817018892.db2.gz JLCLWKSSVVZXDG-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CCn1ncnc1C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317660229 817040838 /nfs/dbraw/zinc/04/08/38/817040838.db2.gz BCHNPVNOVABQMS-GFCCVEGCSA-N 2 1 294.403 -0.202 20 0 CBADMP CCn1ncnc1C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317660229 817040843 /nfs/dbraw/zinc/04/08/43/817040843.db2.gz BCHNPVNOVABQMS-GFCCVEGCSA-N 2 1 294.403 -0.202 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CC[NH2+]CCO ZINC001317670165 817043946 /nfs/dbraw/zinc/04/39/46/817043946.db2.gz QRVJUCOKDSVXPG-TXEJJXNPSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCOCCO)C1 ZINC001318105486 817076621 /nfs/dbraw/zinc/07/66/21/817076621.db2.gz AHCVQKMBSFHXER-ZDUSSCGKSA-N 2 1 285.388 -0.863 20 0 CBADMP COCCOCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001318140102 817081412 /nfs/dbraw/zinc/08/14/12/817081412.db2.gz MXGGPSRDGGRCHH-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP C[C@H](O)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318168800 817082840 /nfs/dbraw/zinc/08/28/40/817082840.db2.gz IVSKVMLPAKIFRN-RYUDHWBXSA-N 2 1 269.389 -0.243 20 0 CBADMP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CCO)C1)[NH+](C)C ZINC001318443116 817110363 /nfs/dbraw/zinc/11/03/63/817110363.db2.gz RNZABSXHCOJKTL-NWDGAFQWSA-N 2 1 257.378 -0.148 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001318507356 817116986 /nfs/dbraw/zinc/11/69/86/817116986.db2.gz QNCUUILDYVTJML-VHSXEESVSA-N 2 1 256.350 -0.950 20 0 CBADMP CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CCO ZINC001318595934 817125757 /nfs/dbraw/zinc/12/57/57/817125757.db2.gz RLMUIHSWARWAIM-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001318857226 817144876 /nfs/dbraw/zinc/14/48/76/817144876.db2.gz CKXILXUDOFXPIE-ZDUSSCGKSA-N 2 1 268.405 -0.310 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)C[NH2+]C[C@@H](C)O ZINC001319218251 817177489 /nfs/dbraw/zinc/17/74/89/817177489.db2.gz PIBNFJPECFHODN-ZYHUDNBSSA-N 2 1 268.361 -0.086 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]CCCO ZINC001319285345 817186497 /nfs/dbraw/zinc/18/64/97/817186497.db2.gz ZELCHOBVVNTJFM-RYUDHWBXSA-N 2 1 257.378 -0.338 20 0 CBADMP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001320238712 817301410 /nfs/dbraw/zinc/30/14/10/817301410.db2.gz RQCRBDDRSNWOJU-VXGBXAGGSA-N 2 1 257.378 -0.054 20 0 CBADMP C[C@H](CC[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001320516176 817348619 /nfs/dbraw/zinc/34/86/19/817348619.db2.gz HJZQHXBWZWABPZ-DGCLKSJQSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001320550980 817354504 /nfs/dbraw/zinc/35/45/04/817354504.db2.gz YREVUFCEYBBIRA-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001321066360 817437604 /nfs/dbraw/zinc/43/76/04/817437604.db2.gz GVQDQXZIZMECNM-JQSFKPKSSA-N 2 1 296.415 -0.275 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H](C)C(N)=O ZINC001321083115 817439700 /nfs/dbraw/zinc/43/97/00/817439700.db2.gz HEDGQVVJJNZSBA-DIABFLQPSA-N 2 1 296.415 -0.003 20 0 CBADMP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC001321119712 817444936 /nfs/dbraw/zinc/44/49/36/817444936.db2.gz BTRCRANVUDNQGC-RUULKOMLSA-N 2 1 282.388 -0.394 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+]CC(=O)N(C)C)C1 ZINC001321251098 817468787 /nfs/dbraw/zinc/46/87/87/817468787.db2.gz QPNFNXRKWQTELG-IHVVCDCBSA-N 2 1 296.415 -0.322 20 0 CBADMP CC[C@H]([NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001321401055 817496182 /nfs/dbraw/zinc/49/61/82/817496182.db2.gz FDJAHWRRADJDAV-ITKZLYELSA-N 2 1 293.371 -0.283 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1[C@H](O)CCC[C@@H]1O ZINC001253216099 825906635 /nfs/dbraw/zinc/90/66/35/825906635.db2.gz HTPAZVGUSZGFDK-NDBYEHHHSA-N 2 1 260.378 -0.447 20 0 CBADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccncc1O ZINC001188637804 823709657 /nfs/dbraw/zinc/70/96/57/823709657.db2.gz HJXCHDGXTMPBNL-UHFFFAOYSA-N 2 1 251.290 -0.138 20 0 CBADMP C[C@H]([NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001163822086 819854517 /nfs/dbraw/zinc/85/45/17/819854517.db2.gz RTASLVNNKIDFAS-NWDGAFQWSA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001163820212 819854582 /nfs/dbraw/zinc/85/45/82/819854582.db2.gz DTIQKBICNQEWBI-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP [NH3+][C@H]1CCN(c2cc[nH+]c(N3CCC([NH3+])CC3)n2)C1 ZINC001164279136 819898042 /nfs/dbraw/zinc/89/80/42/819898042.db2.gz NNEAINUEYMESPY-NSHDSACASA-N 3 1 262.361 -0.059 20 0 CBADMP C[NH+]1CCN(C(=O)c2cc[nH]c(=NOCC[NH3+])c2)CC1 ZINC001164408985 819911558 /nfs/dbraw/zinc/91/15/58/819911558.db2.gz SRHMPBBZBQAGHC-UHFFFAOYSA-N 2 1 279.344 -0.229 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164535732 819922907 /nfs/dbraw/zinc/92/29/07/819922907.db2.gz CROJHIHOGVRIEZ-CYBMUJFWSA-N 2 1 287.404 -0.162 20 0 CBADMP C[NH+](C)Cc1ccnc(N2CC[NH2+][C@H](C(N)=O)C2)c1 ZINC001165073047 819934772 /nfs/dbraw/zinc/93/47/72/819934772.db2.gz UMXPHIGXXPOUJR-NSHDSACASA-N 2 1 263.345 -0.593 20 0 CBADMP C[N@@H+](C1CN(c2cc(C[NH3+])ncn2)C1)[C@@H]1CCOC1 ZINC001165203718 819942910 /nfs/dbraw/zinc/94/29/10/819942910.db2.gz BYFDGQQKYHWDTB-LLVKDONJSA-N 2 1 263.345 -0.155 20 0 CBADMP Nc1ccc[nH+]c1N1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001165253112 819944705 /nfs/dbraw/zinc/94/47/05/819944705.db2.gz SMFKFWULQYOFNU-UHFFFAOYSA-N 2 1 261.329 -0.278 20 0 CBADMP O=C1CN(c2ncnc3c2C[NH2+]C3)CC2(CC[NH2+]CC2)N1 ZINC001165252357 819945160 /nfs/dbraw/zinc/94/51/60/819945160.db2.gz DUMNXGAYMSFYGI-UHFFFAOYSA-N 2 1 288.355 -0.862 20 0 CBADMP c1nc2c(c(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)n1)C[NH2+]C2 ZINC001165288889 819949497 /nfs/dbraw/zinc/94/94/97/819949497.db2.gz XBYZTWICRAUBRX-ZWNOBZJWSA-N 2 1 275.356 -0.106 20 0 CBADMP Nc1nc(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)cc[nH+]1 ZINC001165311226 819953927 /nfs/dbraw/zinc/95/39/27/819953927.db2.gz DXCHZYFUXMUDQI-UHFFFAOYSA-N 2 1 286.343 -0.251 20 0 CBADMP Nc1cc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)nc[nH+]1 ZINC001165344985 819957825 /nfs/dbraw/zinc/95/78/25/819957825.db2.gz HBDCBMFHHUDLAS-CYBMUJFWSA-N 2 1 279.344 -0.356 20 0 CBADMP [NH3+][C@H]1[C@H]2CN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)C[C@@H]12 ZINC001165382892 819960380 /nfs/dbraw/zinc/96/03/80/819960380.db2.gz ZRDRYIWFZCLHNW-PTEHBNRSSA-N 3 1 274.372 -0.203 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC(N)=O ZINC001166634151 820008562 /nfs/dbraw/zinc/00/85/62/820008562.db2.gz PPZPZHBLKCSDGQ-JTQLQIEISA-N 2 1 256.350 -0.948 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166627177 820009323 /nfs/dbraw/zinc/00/93/23/820009323.db2.gz RNHLNXKYTXYUTC-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001166626462 820010917 /nfs/dbraw/zinc/01/09/17/820010917.db2.gz GTVUJBJUUCRWRR-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP COC[C@H](O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166678135 820013103 /nfs/dbraw/zinc/01/31/03/820013103.db2.gz SWAWYXZQWSGAAD-QWHCGFSZSA-N 2 1 287.404 -0.569 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2ncnn2C)C1 ZINC001166667678 820014060 /nfs/dbraw/zinc/01/40/60/820014060.db2.gz GSEKXBGFXSVZKP-LBPRGKRZSA-N 2 1 294.403 -0.247 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001166690573 820015381 /nfs/dbraw/zinc/01/53/81/820015381.db2.gz DFYQQELNQIGOEW-VXGBXAGGSA-N 2 1 284.404 -0.632 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166678458 820015575 /nfs/dbraw/zinc/01/55/75/820015575.db2.gz VOBFFLPUJUYUHJ-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[C@@H]([NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(N)=O ZINC001166678516 820016380 /nfs/dbraw/zinc/01/63/80/820016380.db2.gz WAJOAFPCXOWWHH-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166678455 820016433 /nfs/dbraw/zinc/01/64/33/820016433.db2.gz VOBFFLPUJUYUHJ-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCCO ZINC001166691825 820016839 /nfs/dbraw/zinc/01/68/39/820016839.db2.gz NZKQTQJOBZRHGU-RYUDHWBXSA-N 2 1 257.378 -0.338 20 0 CBADMP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166692817 820017473 /nfs/dbraw/zinc/01/74/73/820017473.db2.gz QEUHINLTEVVJSU-CHWSQXEVSA-N 2 1 298.431 -0.194 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCC[NH2+]CCO)C2 ZINC001166706838 820018222 /nfs/dbraw/zinc/01/82/22/820018222.db2.gz ANUNDUYRDPSQMA-LBPRGKRZSA-N 2 1 280.372 -0.158 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001166709432 820019312 /nfs/dbraw/zinc/01/93/12/820019312.db2.gz ZSDFDRXFKIMRLY-MNOVXSKESA-N 2 1 295.391 -0.996 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001166709436 820019710 /nfs/dbraw/zinc/01/97/10/820019710.db2.gz ZSDFDRXFKIMRLY-WDEREUQCSA-N 2 1 295.391 -0.996 20 0 CBADMP NC(=O)[C@H]1CN(c2nc(Cl)nc3c2CC[NH2+]C3)CC[NH2+]1 ZINC001166723731 820022787 /nfs/dbraw/zinc/02/27/87/820022787.db2.gz JXZGVFHFSGOXHT-SECBINFHSA-N 2 1 296.762 -0.961 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167224403 820074023 /nfs/dbraw/zinc/07/40/23/820074023.db2.gz IOEPEACDZWLBTG-LBPRGKRZSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167236108 820076972 /nfs/dbraw/zinc/07/69/72/820076972.db2.gz HVGLBJMAMZXZBS-RYUDHWBXSA-N 2 1 296.415 -0.455 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167236109 820077060 /nfs/dbraw/zinc/07/70/60/820077060.db2.gz HVGLBJMAMZXZBS-VXGBXAGGSA-N 2 1 296.415 -0.455 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1ccc2c(n1)OCC[NH2+]C2 ZINC001167351252 820081821 /nfs/dbraw/zinc/08/18/21/820081821.db2.gz KFKPCWLNKNYKGO-UHFFFAOYSA-N 2 1 272.312 -0.313 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1nccc(C2C[NH2+]C2)n1 ZINC001167358271 820087201 /nfs/dbraw/zinc/08/72/01/820087201.db2.gz NJZQFRDSOBQELW-UHFFFAOYSA-N 2 1 257.301 -0.713 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001167471356 820093144 /nfs/dbraw/zinc/09/31/44/820093144.db2.gz GJQGXVNHROUAHH-NSHDSACASA-N 2 1 295.387 -0.024 20 0 CBADMP CCC(CO)(CO)Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001167969242 820136393 /nfs/dbraw/zinc/13/63/93/820136393.db2.gz BDVMVVYKYPXGTI-UHFFFAOYSA-N 2 1 295.387 -0.051 20 0 CBADMP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168029182 820138903 /nfs/dbraw/zinc/13/89/03/820138903.db2.gz DHXXYVQYPDDKFV-RYUDHWBXSA-N 2 1 282.388 -0.416 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCO[C@@H](C)C1 ZINC001168081642 820144075 /nfs/dbraw/zinc/14/40/75/820144075.db2.gz YWDMAYVCBWIEPV-AXFHLTTASA-N 2 1 286.376 -0.052 20 0 CBADMP C[N@H+]1CCc2ncnc(-n3ccnc3C(N)=[NH2+])c2C1 ZINC001168409668 820160107 /nfs/dbraw/zinc/16/01/07/820160107.db2.gz GZPVAZPXASKUHE-UHFFFAOYSA-N 2 1 257.301 -0.066 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCCC[NH2+]CCCO ZINC001168425795 820161996 /nfs/dbraw/zinc/16/19/96/820161996.db2.gz VAXZTWOPJJJWJJ-UHFFFAOYSA-N 2 1 273.377 -0.813 20 0 CBADMP CCOCC[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168442753 820162254 /nfs/dbraw/zinc/16/22/54/820162254.db2.gz YGOONVBGBVUTPN-UHFFFAOYSA-N 2 1 287.404 -0.159 20 0 CBADMP CN1CCN(C(=[NH2+])Nc2cc3c(nn2)C[NH2+]C3)CC1 ZINC001168735005 820170147 /nfs/dbraw/zinc/17/01/47/820170147.db2.gz FPEGAOIUXYBHQP-UHFFFAOYSA-N 2 1 261.333 -0.326 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCCC[NH+](CCO)CCO)C2 ZINC001169094530 820206682 /nfs/dbraw/zinc/20/66/82/820206682.db2.gz METFKYJRQBPNFX-QKDCVEJESA-N 2 1 285.432 -0.122 20 0 CBADMP COC(=O)[C@H](C[NH3+])CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099724 820207516 /nfs/dbraw/zinc/20/75/16/820207516.db2.gz UHHRFPXBMUPYBV-WISYIIOYSA-N 2 1 255.362 -0.051 20 0 CBADMP CCOC(=O)CNC(=O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169099993 820207712 /nfs/dbraw/zinc/20/77/12/820207712.db2.gz YSPACQAZQMWWQQ-ZSBIGDGJSA-N 2 1 283.372 -0.120 20 0 CBADMP CCOC(=O)CNC(=O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099993 820207717 /nfs/dbraw/zinc/20/77/17/820207717.db2.gz YSPACQAZQMWWQQ-ZSBIGDGJSA-N 2 1 283.372 -0.120 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169114988 820208586 /nfs/dbraw/zinc/20/85/86/820208586.db2.gz FZKNLBFIEBQCAJ-FIQHERPVSA-N 2 1 283.372 -0.121 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169114988 820208594 /nfs/dbraw/zinc/20/85/94/820208594.db2.gz FZKNLBFIEBQCAJ-FIQHERPVSA-N 2 1 283.372 -0.121 20 0 CBADMP O=C1C[C@@H](Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)CO1 ZINC001169112876 820209022 /nfs/dbraw/zinc/20/90/22/820209022.db2.gz NGHALOXFICWLHC-SECBINFHSA-N 2 1 263.301 -0.386 20 0 CBADMP C[NH+]1CCN(c2nccnc2-n2nncc2C[NH3+])CC1 ZINC001169310880 820226450 /nfs/dbraw/zinc/22/64/50/820226450.db2.gz LBLNQURQLDOACP-UHFFFAOYSA-N 2 1 274.332 -0.732 20 0 CBADMP NC(=O)[C@@H](CO)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001169329008 820236777 /nfs/dbraw/zinc/23/67/77/820236777.db2.gz UQLRCTKAOXIXPO-SNVBAGLBSA-N 2 1 275.312 -0.721 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCN(C(C)=O)C1 ZINC001169499334 820248010 /nfs/dbraw/zinc/24/80/10/820248010.db2.gz BVRFLDRGNJJBLX-QWRGUYRKSA-N 2 1 299.375 -0.998 20 0 CBADMP CC(=O)N1CC[C@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)C1 ZINC001169503858 820249487 /nfs/dbraw/zinc/24/94/87/820249487.db2.gz KHTCSUFANSLPBQ-MNOVXSKESA-N 2 1 252.318 -0.462 20 0 CBADMP C[NH+]1CCN(c2cc(NC[C@H]3COCC[NH2+]3)ncn2)CC1 ZINC001170035159 820274099 /nfs/dbraw/zinc/27/40/99/820274099.db2.gz IUDMNOHZJVXOBH-LBPRGKRZSA-N 2 1 292.387 -0.371 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001170212437 820279942 /nfs/dbraw/zinc/27/99/42/820279942.db2.gz YOWVFHPGPFDUCN-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001170211105 820279972 /nfs/dbraw/zinc/27/99/72/820279972.db2.gz JOZYPTCAADYBKB-UHFFFAOYSA-N 2 1 272.393 -0.488 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001170211065 820280314 /nfs/dbraw/zinc/28/03/14/820280314.db2.gz HTJZWPRUODUERS-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001170221475 820281400 /nfs/dbraw/zinc/28/14/00/820281400.db2.gz BJIFFDQISVXASX-UHFFFAOYSA-N 2 1 298.431 -0.050 20 0 CBADMP C[NH+]1CCN(c2nccnc2N[C@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001170776604 820319778 /nfs/dbraw/zinc/31/97/78/820319778.db2.gz HEEOQCAMEASSFB-RYUDHWBXSA-N 2 1 292.387 -0.779 20 0 CBADMP C[NH+]1CCN(c2ncc(N[C@H]3C[NH2+]C[C@@H]3CO)cn2)CC1 ZINC001170777880 820320356 /nfs/dbraw/zinc/32/03/56/820320356.db2.gz FLIDEKXUODEMKT-YPMHNXCESA-N 2 1 292.387 -0.779 20 0 CBADMP Cc1[nH+]ccn1-c1cncc(N[C@@H]2C[NH2+]C[C@H]2CO)n1 ZINC001170780731 820322990 /nfs/dbraw/zinc/32/29/90/820322990.db2.gz UVPQWBDTAIYIQO-WDEREUQCSA-N 2 1 274.328 -0.037 20 0 CBADMP CS(=O)(=O)c1ccc(N[C@@H]([NH3+])CCC[NH3+])nn1 ZINC001170895373 820333808 /nfs/dbraw/zinc/33/38/08/820333808.db2.gz RYJUYJUDJBHWTQ-SSDOTTSWSA-N 2 1 259.335 -0.684 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171215393 820350488 /nfs/dbraw/zinc/35/04/88/820350488.db2.gz BTRVIYCUKRWBFD-LBPRGKRZSA-N 2 1 284.404 -0.440 20 0 CBADMP CC[C@H]([NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001171227032 820350704 /nfs/dbraw/zinc/35/07/04/820350704.db2.gz LVJNEEUXJNYTDH-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H](O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171227293 820351735 /nfs/dbraw/zinc/35/17/35/820351735.db2.gz NIUHNJWMMIRZFW-NEPJUHHUSA-N 2 1 257.378 -0.195 20 0 CBADMP Cc1nnc(C[NH2+]CCCNC(=O)COCC[NH+](C)C)o1 ZINC001171206053 820352425 /nfs/dbraw/zinc/35/24/25/820352425.db2.gz YLIJAKCAZNAIFT-UHFFFAOYSA-N 2 1 299.375 -0.448 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001171757028 820369102 /nfs/dbraw/zinc/36/91/02/820369102.db2.gz FMCDGXNWCWMOLM-UHFFFAOYSA-N 2 1 298.391 -0.954 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001171725199 820370636 /nfs/dbraw/zinc/37/06/36/820370636.db2.gz IEBFGDYWAHZJMA-UHFFFAOYSA-N 2 1 297.407 -0.462 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001171757983 820370712 /nfs/dbraw/zinc/37/07/12/820370712.db2.gz RRMPEGLVXIFNHL-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CCN1CC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC001172024382 820378126 /nfs/dbraw/zinc/37/81/26/820378126.db2.gz BFDCTTKQLFJDSS-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CCN1CC[C@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)CC1=O ZINC001172050485 820381662 /nfs/dbraw/zinc/38/16/62/820381662.db2.gz BZEKCQWJWCQTLL-ZDUSSCGKSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001172108553 820382754 /nfs/dbraw/zinc/38/27/54/820382754.db2.gz BGYFCZHWVVCVEU-PJSNJIKXSA-N 2 1 296.415 -0.030 20 0 CBADMP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001172108553 820382764 /nfs/dbraw/zinc/38/27/64/820382764.db2.gz BGYFCZHWVVCVEU-PJSNJIKXSA-N 2 1 296.415 -0.030 20 0 CBADMP O=C1CC[C@H]2C[C@@H]([NH2+]CCC[NH+](CCO)CCO)CCN12 ZINC001172146476 820385107 /nfs/dbraw/zinc/38/51/07/820385107.db2.gz LVTHLZOKGPJHGK-KBPBESRZSA-N 2 1 299.415 -0.594 20 0 CBADMP COCCC[NH+]1CCC([NH2+]C(C)(CO)CO)CC1 ZINC001172244300 820392070 /nfs/dbraw/zinc/39/20/70/820392070.db2.gz OIUWXTLGPMTPHD-UHFFFAOYSA-N 2 1 260.378 -0.180 20 0 CBADMP CC[N@H+]1CC[C@@H](N2CCN(C)C[C@H]2C(=O)OC)C1 ZINC001173369943 820402021 /nfs/dbraw/zinc/40/20/21/820402021.db2.gz BXQUCTJZJARYIS-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@@H+]1CC[C@@H](N2CC[NH+](C)C[C@H]2C(=O)OC)C1 ZINC001173369943 820402028 /nfs/dbraw/zinc/40/20/28/820402028.db2.gz BXQUCTJZJARYIS-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C)C[C@H]2C(=O)OC)C1 ZINC001173369943 820402032 /nfs/dbraw/zinc/40/20/32/820402032.db2.gz BXQUCTJZJARYIS-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC[C@@H](N2CC[N@H+](C)C[C@H]2C(=O)OC)C1 ZINC001173369943 820402037 /nfs/dbraw/zinc/40/20/37/820402037.db2.gz BXQUCTJZJARYIS-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC[C@@H](N2CC[N@@H+](C)C[C@H]2C(=O)OC)C1 ZINC001173369943 820402040 /nfs/dbraw/zinc/40/20/40/820402040.db2.gz BXQUCTJZJARYIS-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+]1CC[C@H](N2CCN(C)C[C@@H]2C(=O)OC)C1 ZINC001173369946 820402316 /nfs/dbraw/zinc/40/23/16/820402316.db2.gz BXQUCTJZJARYIS-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@@H+]1CC[C@H](N2CC[NH+](C)C[C@@H]2C(=O)OC)C1 ZINC001173369946 820402323 /nfs/dbraw/zinc/40/23/23/820402323.db2.gz BXQUCTJZJARYIS-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+]1CC[C@H](N2CC[NH+](C)C[C@@H]2C(=O)OC)C1 ZINC001173369946 820402329 /nfs/dbraw/zinc/40/23/29/820402329.db2.gz BXQUCTJZJARYIS-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC[C@H](N2CC[N@H+](C)C[C@@H]2C(=O)OC)C1 ZINC001173369946 820402334 /nfs/dbraw/zinc/40/23/34/820402334.db2.gz BXQUCTJZJARYIS-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC[C@H](N2CC[N@@H+](C)C[C@@H]2C(=O)OC)C1 ZINC001173369946 820402339 /nfs/dbraw/zinc/40/23/39/820402339.db2.gz BXQUCTJZJARYIS-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP [NH3+]CC[N@H+](CCO)[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173732388 820408602 /nfs/dbraw/zinc/40/86/02/820408602.db2.gz ZIOOBPKNSSJTEZ-MNOVXSKESA-N 2 1 254.338 -0.590 20 0 CBADMP [NH3+]CC[N@@H+](CCO)[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173732388 820408606 /nfs/dbraw/zinc/40/86/06/820408606.db2.gz ZIOOBPKNSSJTEZ-MNOVXSKESA-N 2 1 254.338 -0.590 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176058646 820437643 /nfs/dbraw/zinc/43/76/43/820437643.db2.gz ZMJPOBIGZPLAOK-ZDUSSCGKSA-N 2 1 298.431 -0.194 20 0 CBADMP Cn1cncc1C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176071838 820438180 /nfs/dbraw/zinc/43/81/80/820438180.db2.gz IZEABAHREKXRGN-LBPRGKRZSA-N 2 1 279.388 -0.032 20 0 CBADMP CN(C(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001176072522 820438243 /nfs/dbraw/zinc/43/82/43/820438243.db2.gz XFNCOSNWZCKISE-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176071588 820438437 /nfs/dbraw/zinc/43/84/37/820438437.db2.gz GGCCHBOZFXTKGJ-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP Cc1nonc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176072552 820438610 /nfs/dbraw/zinc/43/86/10/820438610.db2.gz YAARTMHBZKXLAD-LLVKDONJSA-N 2 1 281.360 -0.074 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCOC)C1 ZINC001176635352 820453406 /nfs/dbraw/zinc/45/34/06/820453406.db2.gz BTYUMCIWAKTXAA-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCOC)C1 ZINC001176635352 820453412 /nfs/dbraw/zinc/45/34/12/820453412.db2.gz BTYUMCIWAKTXAA-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCCOC)C1 ZINC001176637183 820454830 /nfs/dbraw/zinc/45/48/30/820454830.db2.gz ZAASIDBVKSUHPV-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCCOC)C1 ZINC001176637183 820454834 /nfs/dbraw/zinc/45/48/34/820454834.db2.gz ZAASIDBVKSUHPV-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001176971504 820484315 /nfs/dbraw/zinc/48/43/15/820484315.db2.gz AJBDGZTZMQRKRP-LBPRGKRZSA-N 2 1 284.404 -0.299 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176980528 820484394 /nfs/dbraw/zinc/48/43/94/820484394.db2.gz IXYYISDQBLNTIP-UHFFFAOYSA-N 2 1 286.420 -0.099 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001176986369 820484905 /nfs/dbraw/zinc/48/49/05/820484905.db2.gz LXTLQKDUROQENI-LLVKDONJSA-N 2 1 270.377 -0.558 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001176974799 820485030 /nfs/dbraw/zinc/48/50/30/820485030.db2.gz AYQCHWOSGKGXCH-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176972270 820485507 /nfs/dbraw/zinc/48/55/07/820485507.db2.gz UGJWPODIWBSZAE-LBPRGKRZSA-N 2 1 275.393 -0.570 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178356112 820576582 /nfs/dbraw/zinc/57/65/82/820576582.db2.gz IDFIBRJZRMZGSP-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+]1CCCC[C@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001178690101 820595446 /nfs/dbraw/zinc/59/54/46/820595446.db2.gz LJRNSYJTMSPLIF-VIFPVBQESA-N 2 1 263.363 -0.782 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001178690101 820595452 /nfs/dbraw/zinc/59/54/52/820595452.db2.gz LJRNSYJTMSPLIF-VIFPVBQESA-N 2 1 263.363 -0.782 20 0 CBADMP C[NH+]1CCN(CC(=O)NCC23CC[NH+](CC2)CC3)CC1 ZINC001178954230 820610341 /nfs/dbraw/zinc/61/03/41/820610341.db2.gz YKJZFTLJUIIQTK-UHFFFAOYSA-N 2 1 280.416 -0.164 20 0 CBADMP C[N@@H+]1CCC[C@H]1CCNC(=O)CN1CC[NH+](C)CC1 ZINC001178954130 820610429 /nfs/dbraw/zinc/61/04/29/820610429.db2.gz WTFJMWXEACYEGQ-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)CN1CC[NH+](C)CC1 ZINC001178954130 820610436 /nfs/dbraw/zinc/61/04/36/820610436.db2.gz WTFJMWXEACYEGQ-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124544 820650712 /nfs/dbraw/zinc/65/07/12/820650712.db2.gz IMVWINJSNSFMFO-TUAOUCFPSA-N 2 1 282.388 -0.737 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124379 820651100 /nfs/dbraw/zinc/65/11/00/820651100.db2.gz IKASLLFEXDBKJZ-DGAVXFQQSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCCO)[C@@H]2C)C1 ZINC001180182734 820653729 /nfs/dbraw/zinc/65/37/29/820653729.db2.gz MQFMWCQZQSYJSE-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCCO)[C@@H]2C)C1 ZINC001180182734 820653733 /nfs/dbraw/zinc/65/37/33/820653733.db2.gz MQFMWCQZQSYJSE-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@]1(C)C[NH2+]CCO ZINC001181009284 820750749 /nfs/dbraw/zinc/75/07/49/820750749.db2.gz UWJVDGQKQRNEAT-UMVBOHGHSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@]1(C)C[NH2+]CCO ZINC001181009284 820750756 /nfs/dbraw/zinc/75/07/56/820750756.db2.gz UWJVDGQKQRNEAT-UMVBOHGHSA-N 2 1 299.415 -0.617 20 0 CBADMP CCOCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181821590 820833323 /nfs/dbraw/zinc/83/33/23/820833323.db2.gz COZCZGHQBCKLIR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181821590 820833333 /nfs/dbraw/zinc/83/33/33/820833333.db2.gz COZCZGHQBCKLIR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC(C)[N@H+]1CC[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001181972736 820843545 /nfs/dbraw/zinc/84/35/45/820843545.db2.gz JEOGQLRXHJQJHM-JTQLQIEISA-N 2 1 277.390 -0.536 20 0 CBADMP O=C(NCC[NH+]1CC2(COC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001182014503 820848448 /nfs/dbraw/zinc/84/84/48/820848448.db2.gz AQWBNHPLCGZFEB-CYBMUJFWSA-N 2 1 279.384 -0.223 20 0 CBADMP O=C(NCC[NH+]1CC2(COC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001182014537 820849499 /nfs/dbraw/zinc/84/94/99/820849499.db2.gz AQWBNHPLCGZFEB-ZDUSSCGKSA-N 2 1 279.384 -0.223 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](C(=O)NCC[NH+]2CC3(COC3)C2)C1 ZINC001183374015 820993405 /nfs/dbraw/zinc/99/34/05/820993405.db2.gz PDEUIWCTQILSLD-TXEJJXNPSA-N 2 1 267.373 -0.225 20 0 CBADMP CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183591836 821009629 /nfs/dbraw/zinc/00/96/29/821009629.db2.gz MNSLBZJIPHUTOY-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183591836 821009640 /nfs/dbraw/zinc/00/96/40/821009640.db2.gz MNSLBZJIPHUTOY-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001183759571 821032617 /nfs/dbraw/zinc/03/26/17/821032617.db2.gz MLXZSJNROOBNEF-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001183758992 821033009 /nfs/dbraw/zinc/03/30/09/821033009.db2.gz DIGHZXITJVLPFO-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001184961898 821093462 /nfs/dbraw/zinc/09/34/62/821093462.db2.gz JIYGBJPHAUPCJE-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001184961896 821093701 /nfs/dbraw/zinc/09/37/01/821093701.db2.gz JIYGBJPHAUPCJE-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248742 821108977 /nfs/dbraw/zinc/10/89/77/821108977.db2.gz KLUCUZGGVHAUIY-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001185262586 821117094 /nfs/dbraw/zinc/11/70/94/821117094.db2.gz OBIQGOJMFRSNSI-NSHDSACASA-N 2 1 278.360 -0.984 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)NCC[C@H]1CCC[NH+]1C ZINC001185262388 821117250 /nfs/dbraw/zinc/11/72/50/821117250.db2.gz NKWZUDFSSTWHCG-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)NCC[C@H]1CCC[N@@H+]1C ZINC001185262388 821117253 /nfs/dbraw/zinc/11/72/53/821117253.db2.gz NKWZUDFSSTWHCG-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)NCC[C@H]1CCC[N@H+]1C ZINC001185262388 821117256 /nfs/dbraw/zinc/11/72/56/821117256.db2.gz NKWZUDFSSTWHCG-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N[C@]1(C)CCC[NH+](C)C1 ZINC001185268596 821121870 /nfs/dbraw/zinc/12/18/70/821121870.db2.gz DTJIODRCVPSIHM-TZMCWYRMSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N[C@]1(C)CCC[N@H+](C)C1 ZINC001185268596 821121876 /nfs/dbraw/zinc/12/18/76/821121876.db2.gz DTJIODRCVPSIHM-TZMCWYRMSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001185268596 821121879 /nfs/dbraw/zinc/12/18/79/821121879.db2.gz DTJIODRCVPSIHM-TZMCWYRMSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001185650717 821136359 /nfs/dbraw/zinc/13/63/59/821136359.db2.gz LZQOLJGFLVINHK-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CC2(C1)CC[NH+](CC1CC1)C2 ZINC001186036709 821154597 /nfs/dbraw/zinc/15/45/97/821154597.db2.gz CDOAUOWZEHGNEK-AWEZNQCLSA-N 2 1 293.411 -0.003 20 0 CBADMP O=C(C[NH+]1CC[C@H](O)C1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001186036709 821154603 /nfs/dbraw/zinc/15/46/03/821154603.db2.gz CDOAUOWZEHGNEK-AWEZNQCLSA-N 2 1 293.411 -0.003 20 0 CBADMP O=C(C[NH+]1CC[C@H](O)C1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001186036709 821154609 /nfs/dbraw/zinc/15/46/09/821154609.db2.gz CDOAUOWZEHGNEK-AWEZNQCLSA-N 2 1 293.411 -0.003 20 0 CBADMP COCCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC001186037309 821154840 /nfs/dbraw/zinc/15/48/40/821154840.db2.gz HACARZKASJAVJS-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP COCCN(C(=O)C[N@H+]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC001186037309 821154844 /nfs/dbraw/zinc/15/48/44/821154844.db2.gz HACARZKASJAVJS-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](C)CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186054427 821162277 /nfs/dbraw/zinc/16/22/77/821162277.db2.gz DLTRJUXJONGDDV-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186054427 821162283 /nfs/dbraw/zinc/16/22/83/821162283.db2.gz DLTRJUXJONGDDV-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP [NH3+][C@H]1CC[C@H](N(C(=O)C[N@@H+]2CC[C@H](O)C2)C2COC2)CC1 ZINC001186054460 821162882 /nfs/dbraw/zinc/16/28/82/821162882.db2.gz DXLAIZQMGMBOSF-OBJOEFQTSA-N 2 1 297.399 -0.450 20 0 CBADMP [NH3+][C@H]1CC[C@H](N(C(=O)C[N@H+]2CC[C@H](O)C2)C2COC2)CC1 ZINC001186054460 821162887 /nfs/dbraw/zinc/16/28/87/821162887.db2.gz DXLAIZQMGMBOSF-OBJOEFQTSA-N 2 1 297.399 -0.450 20 0 CBADMP C[N@@H+]1CCC[C@](C)(NC(=O)C[NH+]2CC[C@@H](O)C2)C1 ZINC001186058939 821166553 /nfs/dbraw/zinc/16/65/53/821166553.db2.gz YGOPTPDKKBRFQH-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)C[NH+]2CC[C@@H](O)C2)C1 ZINC001186058939 821166558 /nfs/dbraw/zinc/16/65/58/821166558.db2.gz YGOPTPDKKBRFQH-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@](C)(NC(=O)C[N@@H+]2CC[C@@H](O)C2)C1 ZINC001186058939 821166563 /nfs/dbraw/zinc/16/65/63/821166563.db2.gz YGOPTPDKKBRFQH-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@](C)(NC(=O)C[N@H+]2CC[C@@H](O)C2)C1 ZINC001186058939 821166570 /nfs/dbraw/zinc/16/65/70/821166570.db2.gz YGOPTPDKKBRFQH-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)C[NH+]2CC[C@@H](O)C2)C1 ZINC001186058936 821167043 /nfs/dbraw/zinc/16/70/43/821167043.db2.gz YGOPTPDKKBRFQH-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@@H+]1CCC[C@@](C)(NC(=O)C[NH+]2CC[C@@H](O)C2)C1 ZINC001186058936 821167039 /nfs/dbraw/zinc/16/70/39/821167039.db2.gz YGOPTPDKKBRFQH-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@](C)(NC(=O)C[N@@H+]2CC[C@@H](O)C2)C1 ZINC001186058936 821167048 /nfs/dbraw/zinc/16/70/48/821167048.db2.gz YGOPTPDKKBRFQH-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@](C)(NC(=O)C[N@H+]2CC[C@@H](O)C2)C1 ZINC001186058936 821167053 /nfs/dbraw/zinc/16/70/53/821167053.db2.gz YGOPTPDKKBRFQH-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP COCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186355829 821180274 /nfs/dbraw/zinc/18/02/74/821180274.db2.gz OYGBFYCLOGFPHZ-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001186824743 821199429 /nfs/dbraw/zinc/19/94/29/821199429.db2.gz JRRWQUCRCXXLPD-SNVBAGLBSA-N 2 1 256.350 -0.996 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001187084067 821211753 /nfs/dbraw/zinc/21/17/53/821211753.db2.gz XGBBXHBTIBFWKK-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1=CCN(CC(=O)NC)CC1 ZINC001279675822 828333536 /nfs/dbraw/zinc/33/35/36/828333536.db2.gz MWFRTJWMWWKCKL-UHFFFAOYSA-N 2 1 296.415 -0.178 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](CC(=O)NC)CC1 ZINC001279675822 828333544 /nfs/dbraw/zinc/33/35/44/828333544.db2.gz MWFRTJWMWWKCKL-UHFFFAOYSA-N 2 1 296.415 -0.178 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1=CC[NH+](CC(=O)NC)CC1 ZINC001279675822 828333550 /nfs/dbraw/zinc/33/35/50/828333550.db2.gz MWFRTJWMWWKCKL-UHFFFAOYSA-N 2 1 296.415 -0.178 20 0 CBADMP CCC[NH+](C)CC(=O)NCC1=CC[N@@H+](CC(=O)NC)CC1 ZINC001279675822 828333569 /nfs/dbraw/zinc/33/35/69/828333569.db2.gz MWFRTJWMWWKCKL-UHFFFAOYSA-N 2 1 296.415 -0.178 20 0 CBADMP CCOCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001280473487 828354935 /nfs/dbraw/zinc/35/49/35/828354935.db2.gz SWPPYNLBBBATPD-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP CCOCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001280473487 828354945 /nfs/dbraw/zinc/35/49/45/828354945.db2.gz SWPPYNLBBBATPD-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187826076 822298165 /nfs/dbraw/zinc/29/81/65/822298165.db2.gz USHNAVUFIZQTKX-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001188138710 822321428 /nfs/dbraw/zinc/32/14/28/822321428.db2.gz ABFFWKQNXKFANK-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001281603410 828420650 /nfs/dbraw/zinc/42/06/50/828420650.db2.gz MOQNRAXLDSIAHU-LBPRGKRZSA-N 2 1 285.388 -0.984 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+]CCF)CC2)C1 ZINC001281642431 828421565 /nfs/dbraw/zinc/42/15/65/828421565.db2.gz IVFSFIBUWBSYPR-GFCCVEGCSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)CCO ZINC001281956411 828429209 /nfs/dbraw/zinc/42/92/09/828429209.db2.gz DJXVZDBUDNROGB-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)CCO ZINC001282460824 828449500 /nfs/dbraw/zinc/44/95/00/828449500.db2.gz HAOXKYKMJWPGBS-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)CCO ZINC001282460824 828449503 /nfs/dbraw/zinc/44/95/03/828449503.db2.gz HAOXKYKMJWPGBS-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)CCO ZINC001282460824 828449506 /nfs/dbraw/zinc/44/95/06/828449506.db2.gz HAOXKYKMJWPGBS-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](CCC[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283279710 828511901 /nfs/dbraw/zinc/51/19/01/828511901.db2.gz YPIQBCUBAOKXCT-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189040591 823730833 /nfs/dbraw/zinc/73/08/33/823730833.db2.gz FZIJUMJZOOXQBP-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189040591 823730836 /nfs/dbraw/zinc/73/08/36/823730836.db2.gz FZIJUMJZOOXQBP-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189040457 823731416 /nfs/dbraw/zinc/73/14/16/823731416.db2.gz BWYQOSBTDAUVSL-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189040457 823731418 /nfs/dbraw/zinc/73/14/18/823731418.db2.gz BWYQOSBTDAUVSL-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189390918 823753321 /nfs/dbraw/zinc/75/33/21/823753321.db2.gz UEZREQJVZFWIEX-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390918 823753305 /nfs/dbraw/zinc/75/33/05/823753305.db2.gz UEZREQJVZFWIEX-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390918 823753309 /nfs/dbraw/zinc/75/33/09/823753309.db2.gz UEZREQJVZFWIEX-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189390918 823753314 /nfs/dbraw/zinc/75/33/14/823753314.db2.gz UEZREQJVZFWIEX-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189388130 823753353 /nfs/dbraw/zinc/75/33/53/823753353.db2.gz CCCRAMJIJJKMEL-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189388130 823753358 /nfs/dbraw/zinc/75/33/58/823753358.db2.gz CCCRAMJIJJKMEL-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189388130 823753371 /nfs/dbraw/zinc/75/33/71/823753371.db2.gz CCCRAMJIJJKMEL-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189388130 823753381 /nfs/dbraw/zinc/75/33/81/823753381.db2.gz CCCRAMJIJJKMEL-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517932 823764063 /nfs/dbraw/zinc/76/40/63/823764063.db2.gz WWIRNUFAIHLCFY-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517932 823764069 /nfs/dbraw/zinc/76/40/69/823764069.db2.gz WWIRNUFAIHLCFY-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189517932 823764074 /nfs/dbraw/zinc/76/40/74/823764074.db2.gz WWIRNUFAIHLCFY-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189517932 823764078 /nfs/dbraw/zinc/76/40/78/823764078.db2.gz WWIRNUFAIHLCFY-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001192045940 823942285 /nfs/dbraw/zinc/94/22/85/823942285.db2.gz ITCCTMZOHNSWDT-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001192160839 823953053 /nfs/dbraw/zinc/95/30/53/823953053.db2.gz FMDYXWAYDDOFSA-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001192161062 823954160 /nfs/dbraw/zinc/95/41/60/823954160.db2.gz GYFSIQUYONUJHM-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171837 823954904 /nfs/dbraw/zinc/95/49/04/823954904.db2.gz WUGFAMBAKZNGCA-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192172157 823955415 /nfs/dbraw/zinc/95/54/15/823955415.db2.gz ZQWXMYDOERPPOT-NWDGAFQWSA-N 2 1 257.378 -0.148 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001193102449 824002543 /nfs/dbraw/zinc/00/25/43/824002543.db2.gz JOUGSGDOCDYJBD-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+]CCCF ZINC001284467480 828599410 /nfs/dbraw/zinc/59/94/10/828599410.db2.gz JENLHMJIYXYFMY-LBPRGKRZSA-N 2 1 286.351 -0.040 20 0 CBADMP CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001284467505 828599556 /nfs/dbraw/zinc/59/95/56/828599556.db2.gz JUKYFTHTEXQGER-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001284467505 828599559 /nfs/dbraw/zinc/59/95/59/828599559.db2.gz JUKYFTHTEXQGER-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193463536 824029449 /nfs/dbraw/zinc/02/94/49/824029449.db2.gz WGDYBOFCSZIJIH-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193463536 824029451 /nfs/dbraw/zinc/02/94/51/824029451.db2.gz WGDYBOFCSZIJIH-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193463536 824029452 /nfs/dbraw/zinc/02/94/52/824029452.db2.gz WGDYBOFCSZIJIH-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193463536 824029453 /nfs/dbraw/zinc/02/94/53/824029453.db2.gz WGDYBOFCSZIJIH-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001193570181 824034766 /nfs/dbraw/zinc/03/47/66/824034766.db2.gz HJXMUQKGPPTMHP-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001193570181 824034768 /nfs/dbraw/zinc/03/47/68/824034768.db2.gz HJXMUQKGPPTMHP-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@@H]2CCNC2=O)C1 ZINC001193630157 824040090 /nfs/dbraw/zinc/04/00/90/824040090.db2.gz GBBHGRSCPSPHGL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001193630157 824040092 /nfs/dbraw/zinc/04/00/92/824040092.db2.gz GBBHGRSCPSPHGL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001193630157 824040093 /nfs/dbraw/zinc/04/00/93/824040093.db2.gz GBBHGRSCPSPHGL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NC)C1 ZINC001193639504 824041900 /nfs/dbraw/zinc/04/19/00/824041900.db2.gz AARQOOGNVTXAJB-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC(=O)NCC)C1 ZINC001193630990 824042114 /nfs/dbraw/zinc/04/21/14/824042114.db2.gz QXTQOHWPSBBINY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC(=O)NCC)C1 ZINC001193630990 824042119 /nfs/dbraw/zinc/04/21/19/824042119.db2.gz QXTQOHWPSBBINY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC)C1 ZINC001193630990 824042122 /nfs/dbraw/zinc/04/21/22/824042122.db2.gz QXTQOHWPSBBINY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC)C1 ZINC001193630990 824042126 /nfs/dbraw/zinc/04/21/26/824042126.db2.gz QXTQOHWPSBBINY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765605 824045591 /nfs/dbraw/zinc/04/55/91/824045591.db2.gz DMLQGVBEMMXEQH-YNEHKIRRSA-N 2 1 299.415 -0.333 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193766281 824045611 /nfs/dbraw/zinc/04/56/11/824045611.db2.gz RGLVKSGRXWGINH-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193792121 824047009 /nfs/dbraw/zinc/04/70/09/824047009.db2.gz XXCXJBFDNSVUDB-UPJWGTAASA-N 2 1 269.389 -0.104 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193892087 824048362 /nfs/dbraw/zinc/04/83/62/824048362.db2.gz DFJNOJGFCBMJFT-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001193892087 824048366 /nfs/dbraw/zinc/04/83/66/824048366.db2.gz DFJNOJGFCBMJFT-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193892087 824048368 /nfs/dbraw/zinc/04/83/68/824048368.db2.gz DFJNOJGFCBMJFT-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194001954 824054447 /nfs/dbraw/zinc/05/44/47/824054447.db2.gz LKZJQUSIRRTDHG-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194001954 824054434 /nfs/dbraw/zinc/05/44/34/824054434.db2.gz LKZJQUSIRRTDHG-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001954 824054438 /nfs/dbraw/zinc/05/44/38/824054438.db2.gz LKZJQUSIRRTDHG-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001954 824054444 /nfs/dbraw/zinc/05/44/44/824054444.db2.gz LKZJQUSIRRTDHG-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194001954 824054450 /nfs/dbraw/zinc/05/44/50/824054450.db2.gz LKZJQUSIRRTDHG-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194037138 824056240 /nfs/dbraw/zinc/05/62/40/824056240.db2.gz CQGVGFCPFAUBPL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001194244379 824064936 /nfs/dbraw/zinc/06/49/36/824064936.db2.gz NUJBYSULFMIIQQ-IJLUTSLNSA-N 2 1 287.404 -0.741 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001194244379 824064942 /nfs/dbraw/zinc/06/49/42/824064942.db2.gz NUJBYSULFMIIQQ-IJLUTSLNSA-N 2 1 287.404 -0.741 20 0 CBADMP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194721617 824086202 /nfs/dbraw/zinc/08/62/02/824086202.db2.gz VVEFKMRSLPOBLB-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194721617 824086206 /nfs/dbraw/zinc/08/62/06/824086206.db2.gz VVEFKMRSLPOBLB-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708461 824129064 /nfs/dbraw/zinc/12/90/64/824129064.db2.gz OLUUULXSUKEBPF-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708616 824130131 /nfs/dbraw/zinc/13/01/31/824130131.db2.gz PTGRRAKHQHYOLJ-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195870067 824135641 /nfs/dbraw/zinc/13/56/41/824135641.db2.gz HQINUROCFRLNHG-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196252313 824155940 /nfs/dbraw/zinc/15/59/40/824155940.db2.gz XSKBEGJXTMTXFV-FRRDWIJNSA-N 2 1 287.404 -0.476 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197028952 824176194 /nfs/dbraw/zinc/17/61/94/824176194.db2.gz LMARRQAEESUPLZ-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197028952 824176196 /nfs/dbraw/zinc/17/61/96/824176196.db2.gz LMARRQAEESUPLZ-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@H]1O ZINC001197058426 824177505 /nfs/dbraw/zinc/17/75/05/824177505.db2.gz SSPGBDHETLTRQZ-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1O ZINC001197492862 824192881 /nfs/dbraw/zinc/19/28/81/824192881.db2.gz AKDYZTHWNIHKSV-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](CC)CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC)CC1 ZINC001197511121 824194096 /nfs/dbraw/zinc/19/40/96/824194096.db2.gz IISZUYCLSRREOC-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](CC)CC(=O)N1CCC[N@H+]([C@H](C)C(=O)NC)CC1 ZINC001197511121 824194101 /nfs/dbraw/zinc/19/41/01/824194101.db2.gz IISZUYCLSRREOC-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[NH+](CCO)CC1 ZINC001197691394 824198698 /nfs/dbraw/zinc/19/86/98/824198698.db2.gz HJEYBTGWJIMDAI-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[N@H+](CCO)CC1 ZINC001197691394 824198701 /nfs/dbraw/zinc/19/87/01/824198701.db2.gz HJEYBTGWJIMDAI-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[N@@H+](CCO)CC1 ZINC001197691394 824198706 /nfs/dbraw/zinc/19/87/06/824198706.db2.gz HJEYBTGWJIMDAI-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCCN([C@H](C)C(=O)NC)CC1 ZINC001197705604 824199074 /nfs/dbraw/zinc/19/90/74/824199074.db2.gz BCDPVFFSSUTZDX-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)C(=O)NC)CC1 ZINC001197705604 824199077 /nfs/dbraw/zinc/19/90/77/824199077.db2.gz BCDPVFFSSUTZDX-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)C(=O)NC)CC1 ZINC001197705604 824199083 /nfs/dbraw/zinc/19/90/83/824199083.db2.gz BCDPVFFSSUTZDX-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC)CC1 ZINC001197705604 824199086 /nfs/dbraw/zinc/19/90/86/824199086.db2.gz BCDPVFFSSUTZDX-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[N@H+]([C@H](C)C(=O)NC)CC1 ZINC001197705604 824199087 /nfs/dbraw/zinc/19/90/87/824199087.db2.gz BCDPVFFSSUTZDX-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCCN([C@@H]2CCNC2=O)CC1 ZINC001197914515 824209858 /nfs/dbraw/zinc/20/98/58/824209858.db2.gz UASCTLASADJUED-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001198038057 824214578 /nfs/dbraw/zinc/21/45/78/824214578.db2.gz IHMAZKWOOMEXQE-CHWSQXEVSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001198038057 824214587 /nfs/dbraw/zinc/21/45/87/824214587.db2.gz IHMAZKWOOMEXQE-CHWSQXEVSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001198038057 824214598 /nfs/dbraw/zinc/21/45/98/824214598.db2.gz IHMAZKWOOMEXQE-CHWSQXEVSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCOC)C[C@H]1O ZINC001198029134 824214680 /nfs/dbraw/zinc/21/46/80/824214680.db2.gz NLXLYPBQZJBIMS-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCOC)C[C@H]1O ZINC001198029134 824214683 /nfs/dbraw/zinc/21/46/83/824214683.db2.gz NLXLYPBQZJBIMS-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@H]1O ZINC001198029134 824214691 /nfs/dbraw/zinc/21/46/91/824214691.db2.gz NLXLYPBQZJBIMS-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1O ZINC001198028465 824215777 /nfs/dbraw/zinc/21/57/77/824215777.db2.gz AMBHZFOUEYKIBB-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O ZINC001198028465 824215784 /nfs/dbraw/zinc/21/57/84/824215784.db2.gz AMBHZFOUEYKIBB-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001198028465 824215791 /nfs/dbraw/zinc/21/57/91/824215791.db2.gz AMBHZFOUEYKIBB-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)COC)C[C@H]1O ZINC001198046384 824216843 /nfs/dbraw/zinc/21/68/43/824216843.db2.gz BZFRNUWDUJDPRO-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)COC)C[C@H]1O ZINC001198046384 824216850 /nfs/dbraw/zinc/21/68/50/824216850.db2.gz BZFRNUWDUJDPRO-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@H]1O ZINC001198046384 824216859 /nfs/dbraw/zinc/21/68/59/824216859.db2.gz BZFRNUWDUJDPRO-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[N@H+]1CCCN(C(=O)Cn2ccnc2)CC1 ZINC001198368035 824225703 /nfs/dbraw/zinc/22/57/03/824225703.db2.gz KHGPQYBMQFEWTO-CYBMUJFWSA-N 2 1 296.371 -0.575 20 0 CBADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198663191 824235003 /nfs/dbraw/zinc/23/50/03/824235003.db2.gz ZHKPMVDEESNCCV-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198663191 824235010 /nfs/dbraw/zinc/23/50/10/824235010.db2.gz ZHKPMVDEESNCCV-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198663191 824235018 /nfs/dbraw/zinc/23/50/18/824235018.db2.gz ZHKPMVDEESNCCV-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@H]1O ZINC001199096801 824248183 /nfs/dbraw/zinc/24/81/83/824248183.db2.gz SWVLOJCQQKUVQQ-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001199096801 824248190 /nfs/dbraw/zinc/24/81/90/824248190.db2.gz SWVLOJCQQKUVQQ-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001199096801 824248201 /nfs/dbraw/zinc/24/82/01/824248201.db2.gz SWVLOJCQQKUVQQ-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104824 824248697 /nfs/dbraw/zinc/24/86/97/824248697.db2.gz UTYYPXNHIKHBGI-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199104824 824248702 /nfs/dbraw/zinc/24/87/02/824248702.db2.gz UTYYPXNHIKHBGI-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199104824 824248709 /nfs/dbraw/zinc/24/87/09/824248709.db2.gz UTYYPXNHIKHBGI-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199787739 824287173 /nfs/dbraw/zinc/28/71/73/824287173.db2.gz DAGJCOSOJGTXRQ-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199788093 824287729 /nfs/dbraw/zinc/28/77/29/824287729.db2.gz LIFHVCYJKSHQPO-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP COCCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199943641 824297684 /nfs/dbraw/zinc/29/76/84/824297684.db2.gz NVJYNOAKRHMAHR-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943641 824297692 /nfs/dbraw/zinc/29/76/92/824297692.db2.gz NVJYNOAKRHMAHR-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200983398 824327033 /nfs/dbraw/zinc/32/70/33/824327033.db2.gz OATLTVCBTBIMOJ-CYBMUJFWSA-N 2 1 296.371 -0.609 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201404316 824332427 /nfs/dbraw/zinc/33/24/27/824332427.db2.gz UMIXQRVCDSAKLD-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[C@H](C(=O)NCC1=CC[N@H+](CC(N)=O)CC1)[NH+](C)C ZINC001284977664 828637744 /nfs/dbraw/zinc/63/77/44/828637744.db2.gz ZKIHQNJQNCOEDF-GFCCVEGCSA-N 2 1 282.388 -0.440 20 0 CBADMP CC[C@H](C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1)[NH+](C)C ZINC001284977664 828637746 /nfs/dbraw/zinc/63/77/46/828637746.db2.gz ZKIHQNJQNCOEDF-GFCCVEGCSA-N 2 1 282.388 -0.440 20 0 CBADMP COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202056754 824341297 /nfs/dbraw/zinc/34/12/97/824341297.db2.gz BKIBREPMOOSYOB-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001203203122 824360380 /nfs/dbraw/zinc/36/03/80/824360380.db2.gz GYQUJTYICSNDJR-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203791235 824363199 /nfs/dbraw/zinc/36/31/99/824363199.db2.gz FOZVYBUUADLKTA-NEPJUHHUSA-N 2 1 296.415 -0.171 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001203925890 824363511 /nfs/dbraw/zinc/36/35/11/824363511.db2.gz XZELSQGHIFNAKO-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[NH+]3CCC([NH3+])CC3)[C@@H](O)[C@@H]2O1 ZINC001204646179 824370497 /nfs/dbraw/zinc/37/04/97/824370497.db2.gz LHZIRFYAPAJUOB-USZNOCQGSA-N 2 1 272.345 -0.353 20 0 CBADMP 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 824374866 /nfs/dbraw/zinc/37/48/66/824374866.db2.gz UXOVBGJUVMOVGY-FQIARQCESA-N 2 1 286.372 -0.250 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@@H+](CC[C@H]2C[NH2+]CCO2)CC1 ZINC001205209319 824375801 /nfs/dbraw/zinc/37/58/01/824375801.db2.gz IMQISOQGYMHJOS-STQMWFEESA-N 3 1 257.378 -0.459 20 0 CBADMP [NH3+][C@H]1C[C@@H](F)CN(Cc2cn3c(n2)C[NH2+]CC3)C1 ZINC001206414682 824400101 /nfs/dbraw/zinc/40/01/01/824400101.db2.gz ORIDWWDTJBXUFC-ZJUUUORDSA-N 2 1 253.325 -0.143 20 0 CBADMP COC(=O)COc1ccccc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206470571 824400741 /nfs/dbraw/zinc/40/07/41/824400741.db2.gz YSBJPHJBSJZKCJ-QWHCGFSZSA-N 2 1 294.351 -0.010 20 0 CBADMP COC(=O)COc1ccccc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206470571 824400742 /nfs/dbraw/zinc/40/07/42/824400742.db2.gz YSBJPHJBSJZKCJ-QWHCGFSZSA-N 2 1 294.351 -0.010 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001206467896 824400972 /nfs/dbraw/zinc/40/09/72/824400972.db2.gz DAYWXXUYSWXJEK-NWDGAFQWSA-N 2 1 274.328 -0.382 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](Cc2ccnc(N3CCOCC3)c2)C[C@@H]1O ZINC001206518646 824401490 /nfs/dbraw/zinc/40/14/90/824401490.db2.gz BWPGDJUJLYHCLU-KBPBESRZSA-N 2 1 292.383 -0.330 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccnc(N3CCOCC3)c2)C[C@@H]1O ZINC001206518646 824401493 /nfs/dbraw/zinc/40/14/93/824401493.db2.gz BWPGDJUJLYHCLU-KBPBESRZSA-N 2 1 292.383 -0.330 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206794064 824408307 /nfs/dbraw/zinc/40/83/07/824408307.db2.gz HQKCNGOOGCVJAR-UHFFFAOYSA-N 2 1 284.404 -0.358 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001206928684 824412946 /nfs/dbraw/zinc/41/29/46/824412946.db2.gz FGKGSKXZHBIRRE-GFCCVEGCSA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001206929214 824413517 /nfs/dbraw/zinc/41/35/17/824413517.db2.gz ZOHFIRSQJIVRAT-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP CCOC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207438099 824427458 /nfs/dbraw/zinc/42/74/58/824427458.db2.gz XPUPOCHHWFXUMZ-GFCCVEGCSA-N 2 1 283.372 -0.260 20 0 CBADMP CCOC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207438099 824427462 /nfs/dbraw/zinc/42/74/62/824427462.db2.gz XPUPOCHHWFXUMZ-GFCCVEGCSA-N 2 1 283.372 -0.260 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207563426 824430564 /nfs/dbraw/zinc/43/05/64/824430564.db2.gz UQJOPFFTQHKBSN-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207563426 824430568 /nfs/dbraw/zinc/43/05/68/824430568.db2.gz UQJOPFFTQHKBSN-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207563426 824430572 /nfs/dbraw/zinc/43/05/72/824430572.db2.gz UQJOPFFTQHKBSN-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001207684710 824433879 /nfs/dbraw/zinc/43/38/79/824433879.db2.gz SBBUTQCQXPDVPF-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001207684714 824434127 /nfs/dbraw/zinc/43/41/27/824434127.db2.gz SBBUTQCQXPDVPF-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207688008 824434437 /nfs/dbraw/zinc/43/44/37/824434437.db2.gz KYECMCRLBMCKKT-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070077 824446139 /nfs/dbraw/zinc/44/61/39/824446139.db2.gz CMTHEZJPVRQMKA-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001208337299 824450390 /nfs/dbraw/zinc/45/03/90/824450390.db2.gz IWLKKJMFMQYGAT-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCCO)C2)O1 ZINC001208411464 824452118 /nfs/dbraw/zinc/45/21/18/824452118.db2.gz UUOWIMWSPXEAIM-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCCO)C2)O1 ZINC001208411464 824452122 /nfs/dbraw/zinc/45/21/22/824452122.db2.gz UUOWIMWSPXEAIM-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434948 824453272 /nfs/dbraw/zinc/45/32/72/824453272.db2.gz KUYZOEJGWNUEAT-VXGBXAGGSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492368 824454431 /nfs/dbraw/zinc/45/44/31/824454431.db2.gz KVDJBZYGLVMVLI-UTUOFQBUSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492368 824454433 /nfs/dbraw/zinc/45/44/33/824454433.db2.gz KVDJBZYGLVMVLI-UTUOFQBUSA-N 2 1 282.388 -0.737 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001208992954 824461198 /nfs/dbraw/zinc/46/11/98/824461198.db2.gz FCCUDBWCQZPXNX-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001209632141 824473874 /nfs/dbraw/zinc/47/38/74/824473874.db2.gz KGGYWLULCDOGAH-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001209635738 824474247 /nfs/dbraw/zinc/47/42/47/824474247.db2.gz WMSPOBSEVNKSOL-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001209635738 824474249 /nfs/dbraw/zinc/47/42/49/824474249.db2.gz WMSPOBSEVNKSOL-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCO)C2)C1 ZINC001211176137 824483494 /nfs/dbraw/zinc/48/34/94/824483494.db2.gz HJFRHSIXKMACJN-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCO)C2)C1 ZINC001211176137 824483498 /nfs/dbraw/zinc/48/34/98/824483498.db2.gz HJFRHSIXKMACJN-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001211286484 824484170 /nfs/dbraw/zinc/48/41/70/824484170.db2.gz UWMKNSCSCKLNHF-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436949 824507930 /nfs/dbraw/zinc/50/79/30/824507930.db2.gz RWKOXPOKYAWVEE-UPJWGTAASA-N 2 1 287.404 -0.620 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1OC ZINC001213671587 824513866 /nfs/dbraw/zinc/51/38/66/824513866.db2.gz NJQODSQAOJOSPV-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1OC ZINC001213671587 824513870 /nfs/dbraw/zinc/51/38/70/824513870.db2.gz NJQODSQAOJOSPV-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC ZINC001213671587 824513874 /nfs/dbraw/zinc/51/38/74/824513874.db2.gz NJQODSQAOJOSPV-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638201 824515015 /nfs/dbraw/zinc/51/50/15/824515015.db2.gz CZYXWMLGPMLRKY-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213859480 824516468 /nfs/dbraw/zinc/51/64/68/824516468.db2.gz DMGRKOZAOBXKAC-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213859480 824516472 /nfs/dbraw/zinc/51/64/72/824516472.db2.gz DMGRKOZAOBXKAC-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929830 824517160 /nfs/dbraw/zinc/51/71/60/824517160.db2.gz MWLYOZCREIMBCQ-CHWSQXEVSA-N 2 1 287.404 -0.212 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929830 824517162 /nfs/dbraw/zinc/51/71/62/824517162.db2.gz MWLYOZCREIMBCQ-CHWSQXEVSA-N 2 1 287.404 -0.212 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929830 824517167 /nfs/dbraw/zinc/51/71/67/824517167.db2.gz MWLYOZCREIMBCQ-CHWSQXEVSA-N 2 1 287.404 -0.212 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214335649 824528726 /nfs/dbraw/zinc/52/87/26/824528726.db2.gz FGOYQPNFTCZKKR-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214662050 824535679 /nfs/dbraw/zinc/53/56/79/824535679.db2.gz RMGCMTQRBWKJES-FDYHWXHSSA-N 2 1 296.415 -0.491 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001215461137 824542099 /nfs/dbraw/zinc/54/20/99/824542099.db2.gz TZCHSSKGOFXQCR-DGCLKSJQSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCCO ZINC001216751964 824548698 /nfs/dbraw/zinc/54/86/98/824548698.db2.gz DLJFEEGEINIANQ-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[NH+](CCc2nnc([C@H]3C[NH2+]CCN3)o2)C[C@@H](C)O1 ZINC001217701527 824558989 /nfs/dbraw/zinc/55/89/89/824558989.db2.gz SEBIURIWXPAPMU-IJLUTSLNSA-N 2 1 295.387 -0.045 20 0 CBADMP O=c1cc(CO[C@H]2CC[NH2+]C2)nc2n1CCC[NH2+]C2 ZINC001217823993 824562546 /nfs/dbraw/zinc/56/25/46/824562546.db2.gz JBQHNPXSZIBHNI-NSHDSACASA-N 2 1 264.329 -0.385 20 0 CBADMP CCOC(=O)c1cc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n[nH]1 ZINC001218511154 824577203 /nfs/dbraw/zinc/57/72/03/824577203.db2.gz RPSNGQLJJVDIPG-NSHDSACASA-N 2 1 295.343 -0.148 20 0 CBADMP CCOC(=O)c1c[nH]c(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001218527413 824583623 /nfs/dbraw/zinc/58/36/23/824583623.db2.gz JUIXOOGUVBWPBM-SNVBAGLBSA-N 2 1 295.343 -0.148 20 0 CBADMP Cc1[nH][nH]c2ncnc(=NC(=O)[C@@H]([NH3+])CCC[NH3+])c1-2 ZINC001218530310 824585405 /nfs/dbraw/zinc/58/54/05/824585405.db2.gz RIQHLPLQFSSBRA-ZETCQYMHSA-N 2 1 263.305 -0.960 20 0 CBADMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cn[nH]c1C(N)=O ZINC001218565020 824592777 /nfs/dbraw/zinc/59/27/77/824592777.db2.gz PQENGQDFHFFCRD-VIFPVBQESA-N 2 1 296.375 -0.057 20 0 CBADMP N[C@@H](CSCC[NH3+])C(=O)Nc1cncc(C[NH3+])c1 ZINC001218704960 824625953 /nfs/dbraw/zinc/62/59/53/824625953.db2.gz GLFQZUKQRHMENM-JTQLQIEISA-N 2 1 269.374 -0.502 20 0 CBADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)[C@H]1[NH2+]CC[C@H]1O ZINC001218743688 824631409 /nfs/dbraw/zinc/63/14/09/824631409.db2.gz WTPDJGBHGDTGSP-PWSUYJOCSA-N 2 1 273.296 -0.071 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001218741695 824631469 /nfs/dbraw/zinc/63/14/69/824631469.db2.gz PSPVOXDVKWIQTK-SNVBAGLBSA-N 2 1 261.285 -0.085 20 0 CBADMP N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001218743339 824631935 /nfs/dbraw/zinc/63/19/35/824631935.db2.gz QXQGAIUXKISAFY-QWRGUYRKSA-N 2 1 272.312 -0.248 20 0 CBADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218819777 824641487 /nfs/dbraw/zinc/64/14/87/824641487.db2.gz OWRFHYRMHWHNRB-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218819777 824641490 /nfs/dbraw/zinc/64/14/90/824641490.db2.gz OWRFHYRMHWHNRB-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2CN(CCCO)C[C@@H]21 ZINC001219052258 824654139 /nfs/dbraw/zinc/65/41/39/824654139.db2.gz PDMKUOPMOXLEIS-UONOGXRCSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21 ZINC001219052258 824654146 /nfs/dbraw/zinc/65/41/46/824654146.db2.gz PDMKUOPMOXLEIS-UONOGXRCSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001219052258 824654154 /nfs/dbraw/zinc/65/41/54/824654154.db2.gz PDMKUOPMOXLEIS-UONOGXRCSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001219052258 824654159 /nfs/dbraw/zinc/65/41/59/824654159.db2.gz PDMKUOPMOXLEIS-UONOGXRCSA-N 2 1 299.415 -0.379 20 0 CBADMP [NH3+]CCC[NH2+]CC(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219118567 824664870 /nfs/dbraw/zinc/66/48/70/824664870.db2.gz NDPLJUGXEQUCGG-UHFFFAOYSA-N 3 1 291.399 -0.027 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)C1 ZINC001219537883 824723786 /nfs/dbraw/zinc/72/37/86/824723786.db2.gz RBJMCKZSSKHMRQ-MBJVOQIVSA-N 2 1 288.351 -0.238 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)C1 ZINC001219542355 824724650 /nfs/dbraw/zinc/72/46/50/824724650.db2.gz RBJMCKZSSKHMRQ-IZWKTGJZSA-N 2 1 288.351 -0.238 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)OCO2 ZINC001219551669 824727397 /nfs/dbraw/zinc/72/73/97/824727397.db2.gz FIXWOALNOQEOBR-VIFPVBQESA-N 2 1 251.286 -0.292 20 0 CBADMP Cn1ccnc1CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219563737 824731155 /nfs/dbraw/zinc/73/11/55/824731155.db2.gz KHLVRNCEKOGFON-UHFFFAOYSA-N 2 1 251.334 -0.622 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)CCN2CC[NH+](C)CC2)C[NH2+]1 ZINC001219583318 824736069 /nfs/dbraw/zinc/73/60/69/824736069.db2.gz SYGPOTCEBZMMEK-STQMWFEESA-N 2 1 268.405 -0.119 20 0 CBADMP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1COCC[NH2+]1 ZINC001219610090 824854515 /nfs/dbraw/zinc/85/45/15/824854515.db2.gz KWCIKXFAUMJOFV-IONNQARKSA-N 2 1 267.251 -0.615 20 0 CBADMP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1COC[NH2+]1 ZINC001219609618 824855003 /nfs/dbraw/zinc/85/50/03/824855003.db2.gz AFRQMTVYLIOBSX-XPUUQOCRSA-N 2 1 253.224 -0.657 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC001219611197 824855102 /nfs/dbraw/zinc/85/51/02/824855102.db2.gz WZXDHNKKBUNVSU-FJXKBIBVSA-N 2 1 266.267 -0.914 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001219650496 824872603 /nfs/dbraw/zinc/87/26/03/824872603.db2.gz ORRVTDXWKZVNBU-UPJWGTAASA-N 2 1 297.399 -0.157 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001219650496 824872608 /nfs/dbraw/zinc/87/26/08/824872608.db2.gz ORRVTDXWKZVNBU-UPJWGTAASA-N 2 1 297.399 -0.157 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](O)C2)C1 ZINC001219649385 824873247 /nfs/dbraw/zinc/87/32/47/824873247.db2.gz ILDMJALLMIHZLD-SDDRHHMPSA-N 2 1 255.362 -0.585 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](O)C2)C1 ZINC001219649385 824873252 /nfs/dbraw/zinc/87/32/52/824873252.db2.gz ILDMJALLMIHZLD-SDDRHHMPSA-N 2 1 255.362 -0.585 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@]2(C)COCC[NH2+]2)C1 ZINC001219651446 824875350 /nfs/dbraw/zinc/87/53/50/824875350.db2.gz VTEHVKGJPOUSEN-LOWVWBTDSA-N 2 1 255.362 -0.273 20 0 CBADMP Cc1cc(C)c(CNC(=O)[C@@H]([NH3+])CC[NH3+])c(=O)[nH]1 ZINC001219690834 824879543 /nfs/dbraw/zinc/87/95/43/824879543.db2.gz CQFBGDGZBWQWTK-JTQLQIEISA-N 2 1 252.318 -0.304 20 0 CBADMP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@@H]1COCC[NH2+]1 ZINC001219705630 824883790 /nfs/dbraw/zinc/88/37/90/824883790.db2.gz MDNJZQFMMCFYRA-AWEZNQCLSA-N 2 1 275.352 -0.063 20 0 CBADMP C[C@H]([NH3+])c1ncc(C(=O)N[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC001219714790 824884446 /nfs/dbraw/zinc/88/44/46/824884446.db2.gz YEBCYOYOZJUUNP-RRKCRQDMSA-N 2 1 256.331 -0.775 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)C1 ZINC001219743963 824889363 /nfs/dbraw/zinc/88/93/63/824889363.db2.gz PZDAPTDMRPUBGE-UTUOFQBUSA-N 2 1 282.388 -0.907 20 0 CBADMP C[C@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)C1 ZINC001219764376 824889768 /nfs/dbraw/zinc/88/97/68/824889768.db2.gz DLVQPLQWJUVGEQ-RFQIPJPRSA-N 2 1 280.416 -0.216 20 0 CBADMP C[C@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)C1 ZINC001219764376 824889774 /nfs/dbraw/zinc/88/97/74/824889774.db2.gz DLVQPLQWJUVGEQ-RFQIPJPRSA-N 2 1 280.416 -0.216 20 0 CBADMP [NH3+]CCCNCC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744482 824889981 /nfs/dbraw/zinc/88/99/81/824889981.db2.gz XRPNIUQLIKSKBP-LBPRGKRZSA-N 2 1 284.404 -0.658 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764678 824890019 /nfs/dbraw/zinc/89/00/19/824890019.db2.gz JUZLIRNCOHAEGF-CRWXNKLISA-N 2 1 280.416 -0.216 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764678 824890022 /nfs/dbraw/zinc/89/00/22/824890022.db2.gz JUZLIRNCOHAEGF-CRWXNKLISA-N 2 1 280.416 -0.216 20 0 CBADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1CCCC[NH2+]1 ZINC001219764198 824890583 /nfs/dbraw/zinc/89/05/83/824890583.db2.gz ALXXXUNIJSDEBL-AGIUHOORSA-N 2 1 266.389 -0.462 20 0 CBADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1CCCC[NH2+]1 ZINC001219764198 824890581 /nfs/dbraw/zinc/89/05/81/824890581.db2.gz ALXXXUNIJSDEBL-AGIUHOORSA-N 2 1 266.389 -0.462 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219771773 824891074 /nfs/dbraw/zinc/89/10/74/824891074.db2.gz ROIPDVNPSUIEPP-LBPRGKRZSA-N 2 1 277.372 -0.072 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CC3(C2)CC[NH2+]CC3)C1 ZINC001219774950 824892951 /nfs/dbraw/zinc/89/29/51/824892951.db2.gz GCGKNSBUEXIIHW-GFCCVEGCSA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC2CC3(C2)CC[NH2+]CC3)C1 ZINC001219774950 824892956 /nfs/dbraw/zinc/89/29/56/824892956.db2.gz GCGKNSBUEXIIHW-GFCCVEGCSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219799982 824895930 /nfs/dbraw/zinc/89/59/30/824895930.db2.gz FMOFZCQTCUICQN-QWRGUYRKSA-N 2 1 299.371 -0.848 20 0 CBADMP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@@H]1COC[NH2+]1 ZINC001219824003 824899173 /nfs/dbraw/zinc/89/91/73/824899173.db2.gz WZWPJRXCGNRIOQ-BDAKNGLRSA-N 2 1 253.327 -0.046 20 0 CBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219856744 824903305 /nfs/dbraw/zinc/90/33/05/824903305.db2.gz ZFHZESUCNJCYCV-MROQNXINSA-N 2 1 296.415 -0.838 20 0 CBADMP [NH3+]Cc1ncc(C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)s1 ZINC001219850213 824903385 /nfs/dbraw/zinc/90/33/85/824903385.db2.gz OAEZWRFGADBEJD-DKCNOQQISA-N 2 1 282.369 -0.149 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219867769 824903950 /nfs/dbraw/zinc/90/39/50/824903950.db2.gz RCNSCVHVLDHBLI-NSHDSACASA-N 3 1 254.378 -0.475 20 0 CBADMP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)NCC[NH3+] ZINC001219870688 824905917 /nfs/dbraw/zinc/90/59/17/824905917.db2.gz PUQOLVSNZMKTLM-LBPRGKRZSA-N 2 1 251.330 -0.446 20 0 CBADMP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)NCC[NH3+] ZINC001219870688 824905922 /nfs/dbraw/zinc/90/59/22/824905922.db2.gz PUQOLVSNZMKTLM-LBPRGKRZSA-N 2 1 251.330 -0.446 20 0 CBADMP C[NH+]1CCN(c2cnccc2C(=O)NCC[NH3+])CC1 ZINC001219874632 824905985 /nfs/dbraw/zinc/90/59/85/824905985.db2.gz WTTVIAMUYQCBPJ-UHFFFAOYSA-N 2 1 263.345 -0.478 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219934696 824916801 /nfs/dbraw/zinc/91/68/01/824916801.db2.gz IJATXHPTHPAOKI-LLVKDONJSA-N 3 1 263.345 -0.883 20 0 CBADMP NC(=O)c1ccc(CNC(=O)C[NH2+]C2CC[NH2+]CC2)cc1 ZINC001219960936 824921705 /nfs/dbraw/zinc/92/17/05/824921705.db2.gz CICICRWJRFTTIT-UHFFFAOYSA-N 2 1 290.367 -0.257 20 0 CBADMP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])c1ccc(OC)cc1 ZINC001219974823 824927605 /nfs/dbraw/zinc/92/76/05/824927605.db2.gz GSJGVGGDHIBNDE-RYUDHWBXSA-N 2 1 295.339 -0.298 20 0 CBADMP COC(=O)[C@@H](N)CC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001219980924 824929352 /nfs/dbraw/zinc/92/93/52/824929352.db2.gz RFAIGTRUJHBCNJ-MNOVXSKESA-N 2 1 271.361 -0.275 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2[NH2+]CC[C@@H]2O)C1 ZINC001219980530 824929544 /nfs/dbraw/zinc/92/95/44/824929544.db2.gz KIGXCSDOBNTWLY-WOPDTQHZSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001219980995 824930011 /nfs/dbraw/zinc/93/00/11/824930011.db2.gz SYLYNGDJAUJNER-TZMCWYRMSA-N 2 1 268.405 -0.085 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC001219981112 824930137 /nfs/dbraw/zinc/93/01/37/824930137.db2.gz XITADUQXTJOCGN-UTUOFQBUSA-N 2 1 255.362 -0.585 20 0 CBADMP N=c1cc(C[NH3+])ccn1C(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001220044875 824942223 /nfs/dbraw/zinc/94/22/23/824942223.db2.gz CMDZOBQISKFRBX-SNVBAGLBSA-N 2 1 260.301 -0.640 20 0 CBADMP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001220043356 824942610 /nfs/dbraw/zinc/94/26/10/824942610.db2.gz OPCIFBPHQAESQB-JTQLQIEISA-N 2 1 275.316 -0.937 20 0 CBADMP O=C(NCc1[nH]nc2ccccc21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220045435 824944298 /nfs/dbraw/zinc/94/42/98/824944298.db2.gz ZHWRJJBMWDONOR-LLVKDONJSA-N 2 1 285.351 -0.012 20 0 CBADMP C[NH2+]CCNC(=O)[C@@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001220051309 824945140 /nfs/dbraw/zinc/94/51/40/824945140.db2.gz UKXWGFPOZFOFMF-KBPBESRZSA-N 2 1 277.368 -0.043 20 0 CBADMP C[NH2+]CCNC(=O)[C@@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC001220051309 824945148 /nfs/dbraw/zinc/94/51/48/824945148.db2.gz UKXWGFPOZFOFMF-KBPBESRZSA-N 2 1 277.368 -0.043 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220071823 824952150 /nfs/dbraw/zinc/95/21/50/824952150.db2.gz SZTSAXXQHHRVTP-OVWNDWIMSA-N 2 1 284.385 -0.316 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC1(C(F)(F)F)CCOCC1 ZINC001220156780 824972952 /nfs/dbraw/zinc/97/29/52/824972952.db2.gz KIRHDKDQQHTHSR-ZETCQYMHSA-N 2 1 269.267 -0.110 20 0 CBADMP NC[C@@H]([NH3+])c1ccc(C(=O)NC2(C[NH3+])COC2)cc1 ZINC001220156643 824973212 /nfs/dbraw/zinc/97/32/12/824973212.db2.gz FBMLTSKTANAOMV-LLVKDONJSA-N 2 1 264.329 -0.897 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)CNC2CC[NH2+]CC2)C1 ZINC001220156578 824973554 /nfs/dbraw/zinc/97/35/54/824973554.db2.gz AZQAFSBQKNIECA-LBPRGKRZSA-N 2 1 254.378 -0.462 20 0 CBADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001220159988 824974349 /nfs/dbraw/zinc/97/43/49/824974349.db2.gz TXEFBIQVARXAFU-STQMWFEESA-N 2 1 284.404 -0.170 20 0 CBADMP COCCC[NH+]1CCC(NC(=O)[C@@H]2COC[NH2+]2)CC1 ZINC001220200339 824984200 /nfs/dbraw/zinc/98/42/00/824984200.db2.gz HRSBJTZGBLIBDM-LBPRGKRZSA-N 2 1 271.361 -0.451 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229106 824990438 /nfs/dbraw/zinc/99/04/38/824990438.db2.gz NGBZQQXLXZIMKA-NEPJUHHUSA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220251746 824994436 /nfs/dbraw/zinc/99/44/36/824994436.db2.gz DFHDSGULTSHGOS-GHMZBOCLSA-N 2 1 285.392 -0.637 20 0 CBADMP Cn1cncc1C[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001220251671 824994892 /nfs/dbraw/zinc/99/48/92/824994892.db2.gz BDCNEFHPLCOLBV-AAEUAGOBSA-N 2 1 279.388 -0.110 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220254743 824996222 /nfs/dbraw/zinc/99/62/22/824996222.db2.gz VZWZSWMMJBIHAY-KBPBESRZSA-N 3 1 297.447 -0.663 20 0 CBADMP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220254743 824996224 /nfs/dbraw/zinc/99/62/24/824996224.db2.gz VZWZSWMMJBIHAY-KBPBESRZSA-N 2 1 297.447 -0.663 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220254743 824996226 /nfs/dbraw/zinc/99/62/26/824996226.db2.gz VZWZSWMMJBIHAY-KBPBESRZSA-N 2 1 297.447 -0.663 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220251802 824996819 /nfs/dbraw/zinc/99/68/19/824996819.db2.gz FYTNKMJKHXIOCQ-OLZOCXBDSA-N 3 1 268.405 -0.086 20 0 CBADMP Cc1nc[nH]c1CSCCNC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220257330 824997361 /nfs/dbraw/zinc/99/73/61/824997361.db2.gz UYHYLKBUYWBJSC-VIFPVBQESA-N 2 1 271.390 -0.256 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220277303 825002708 /nfs/dbraw/zinc/00/27/08/825002708.db2.gz VJFPIXXYJGCHRA-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001220276743 825004007 /nfs/dbraw/zinc/00/40/07/825004007.db2.gz JYPKKFJJMZEOCI-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220274889 825004072 /nfs/dbraw/zinc/00/40/72/825004072.db2.gz HSVXOQFPTVBMFH-UTUOFQBUSA-N 2 1 273.377 -0.866 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1cc(F)cc2c1OCOC2 ZINC001220294308 825007394 /nfs/dbraw/zinc/00/73/94/825007394.db2.gz PFEOHABAHYREEB-NSHDSACASA-N 2 1 283.303 -0.016 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC001220306701 825010496 /nfs/dbraw/zinc/01/04/96/825010496.db2.gz NNUBDOFDKDOTTA-JTQLQIEISA-N 2 1 278.347 -0.277 20 0 CBADMP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1COCC[NH2+]1 ZINC001220319681 825013697 /nfs/dbraw/zinc/01/36/97/825013697.db2.gz IIKSXKSAVCNYMX-GMXVVIOVSA-N 2 1 269.345 -0.998 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1O)[NH+](C)C ZINC001220381280 825025205 /nfs/dbraw/zinc/02/52/05/825025205.db2.gz MPSWIYGBIOOQGE-WOPDTQHZSA-N 2 1 257.378 -0.104 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1cccnc1N1CCCC1 ZINC001220398731 825030343 /nfs/dbraw/zinc/03/03/43/825030343.db2.gz KGXXJAMTJXFACW-LBPRGKRZSA-N 2 1 277.372 -0.026 20 0 CBADMP [NH3+]CCNCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001220429035 825036746 /nfs/dbraw/zinc/03/67/46/825036746.db2.gz KAGOFIAKXMSZOA-FOLVSLTJSA-N 2 1 288.395 -0.219 20 0 CBADMP [NH3+][C@H](C(=O)NCc1ccc2[nH]nnc2c1)C1CC[NH2+]CC1 ZINC001220426848 825037484 /nfs/dbraw/zinc/03/74/84/825037484.db2.gz QZWZUUTXBDFMOY-ZDUSSCGKSA-N 2 1 288.355 -0.099 20 0 CBADMP [NH3+][C@H](C(=O)NCc1ccc2nn[nH]c2c1)C1CC[NH2+]CC1 ZINC001220426848 825037490 /nfs/dbraw/zinc/03/74/90/825037490.db2.gz QZWZUUTXBDFMOY-ZDUSSCGKSA-N 2 1 288.355 -0.099 20 0 CBADMP [NH3+][C@@H](C(=O)NC1CC[NH+](CCF)CC1)C1CC[NH2+]CC1 ZINC001220436267 825038691 /nfs/dbraw/zinc/03/86/91/825038691.db2.gz SWBXOJFNSPYQQD-CYBMUJFWSA-N 3 1 286.395 -0.137 20 0 CBADMP [NH3+]CCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CCF)CC1 ZINC001220435357 825039511 /nfs/dbraw/zinc/03/95/11/825039511.db2.gz HGUCRJCBNZXZRH-LLVKDONJSA-N 3 1 260.357 -0.397 20 0 CBADMP CN(CC[NH3+])CCNC(=O)c1cnc(C[NH3+])s1 ZINC001220517432 825054776 /nfs/dbraw/zinc/05/47/76/825054776.db2.gz LNJOYCRQMKDNBV-UHFFFAOYSA-N 2 1 257.363 -0.778 20 0 CBADMP COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])c1cccnc1 ZINC001220529520 825059492 /nfs/dbraw/zinc/05/94/92/825059492.db2.gz CTQVPJAWBYXPBA-QWRGUYRKSA-N 2 1 280.328 -0.522 20 0 CBADMP CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220568182 825063509 /nfs/dbraw/zinc/06/35/09/825063509.db2.gz ZEEVPVRNAVMCLZ-RYUDHWBXSA-N 2 1 294.355 -0.652 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)COC)C[C@@H]1O ZINC001220688480 825086061 /nfs/dbraw/zinc/08/60/61/825086061.db2.gz IDRQJXIOGRBCGJ-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)COC)C[C@@H]1O ZINC001220688480 825086073 /nfs/dbraw/zinc/08/60/73/825086073.db2.gz IDRQJXIOGRBCGJ-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@@H]1O ZINC001220688480 825086085 /nfs/dbraw/zinc/08/60/85/825086085.db2.gz IDRQJXIOGRBCGJ-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220688618 825086548 /nfs/dbraw/zinc/08/65/48/825086548.db2.gz MTPHTQVAMFLGMG-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220688618 825086557 /nfs/dbraw/zinc/08/65/57/825086557.db2.gz MTPHTQVAMFLGMG-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220688618 825086567 /nfs/dbraw/zinc/08/65/67/825086567.db2.gz MTPHTQVAMFLGMG-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP NCc1ncccc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220710981 825090708 /nfs/dbraw/zinc/09/07/08/825090708.db2.gz HOUTUPXXKNDDQP-LBPRGKRZSA-N 2 1 263.345 -0.194 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001220716921 825092956 /nfs/dbraw/zinc/09/29/56/825092956.db2.gz UZWPJAVVAYAISH-FQUUOJAGSA-N 3 1 292.427 -0.073 20 0 CBADMP CC1(C)[C@H](O)C[C@H]1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220765674 825099785 /nfs/dbraw/zinc/09/97/85/825099785.db2.gz CKRXUPQPBLODCV-GHMZBOCLSA-N 2 1 255.362 -0.396 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771199 825100104 /nfs/dbraw/zinc/10/01/04/825100104.db2.gz IQFHHOSDQYIHKV-OLZOCXBDSA-N 2 1 297.399 -0.720 20 0 CBADMP [NH3+][C@@]12CC[C@@](NC(=O)c3nnn4c3C[NH2+]CC4)(C1)CCC2 ZINC001220784147 825100789 /nfs/dbraw/zinc/10/07/89/825100789.db2.gz PXHHIZAWZXQFAM-UONOGXRCSA-N 2 1 290.371 -0.085 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1COCC[NH2+]1 ZINC001220804142 825104764 /nfs/dbraw/zinc/10/47/64/825104764.db2.gz NCAVKSBTVLQRKA-YIZRAAEISA-N 2 1 281.278 -0.369 20 0 CBADMP CCOC(=O)C1=C(NC(=O)C[N@@H+](C)C(C)C)C[NH2+]C1 ZINC001220827565 825108170 /nfs/dbraw/zinc/10/81/70/825108170.db2.gz SIZNDOQGGDWIDO-UHFFFAOYSA-N 2 1 269.345 -0.137 20 0 CBADMP CCC[C@@H](CCO)NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220868244 825115118 /nfs/dbraw/zinc/11/51/18/825115118.db2.gz FJSUVPZPBSPDDY-LBPRGKRZSA-N 2 1 257.378 -0.005 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC001220889324 825121194 /nfs/dbraw/zinc/12/11/94/825121194.db2.gz IRJJIHFXOIYCAH-QWRGUYRKSA-N 2 1 269.345 -0.651 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC001220889324 825121200 /nfs/dbraw/zinc/12/12/00/825121200.db2.gz IRJJIHFXOIYCAH-QWRGUYRKSA-N 2 1 269.345 -0.651 20 0 CBADMP COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])c1ccccn1 ZINC001220900449 825122669 /nfs/dbraw/zinc/12/26/69/825122669.db2.gz KKUVOZVEMSUMPW-ONGXEEELSA-N 2 1 280.328 -0.522 20 0 CBADMP O=C(N[C@H]1CC[N@H+](Cc2cccnc2)C1)[C@H]1[NH2+]CC[C@H]1O ZINC001220915064 825123701 /nfs/dbraw/zinc/12/37/01/825123701.db2.gz LIDHLYJATJDDCK-MJBXVCDLSA-N 2 1 290.367 -0.505 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](Cc2cccnc2)C1)[C@H]1[NH2+]CC[C@H]1O ZINC001220915064 825123704 /nfs/dbraw/zinc/12/37/04/825123704.db2.gz LIDHLYJATJDDCK-MJBXVCDLSA-N 2 1 290.367 -0.505 20 0 CBADMP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001220914875 825124117 /nfs/dbraw/zinc/12/41/17/825124117.db2.gz DJKXTPQHVQEWBH-KBPBESRZSA-N 3 1 291.399 -0.162 20 0 CBADMP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001220914875 825124123 /nfs/dbraw/zinc/12/41/23/825124123.db2.gz DJKXTPQHVQEWBH-KBPBESRZSA-N 3 1 291.399 -0.162 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001220915226 825124151 /nfs/dbraw/zinc/12/41/51/825124151.db2.gz SQXLISPJRVLETK-QWHCGFSZSA-N 2 1 278.356 -0.518 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001220915226 825124155 /nfs/dbraw/zinc/12/41/55/825124155.db2.gz SQXLISPJRVLETK-QWHCGFSZSA-N 2 1 278.356 -0.518 20 0 CBADMP [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2COCC[NH2+]2)C2COC2)CC1 ZINC001220930305 825124259 /nfs/dbraw/zinc/12/42/59/825124259.db2.gz NGDZASHCLGZLAI-GVXVVHGQSA-N 2 1 283.372 -0.528 20 0 CBADMP [NH3+]CCNCC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001220914865 825124381 /nfs/dbraw/zinc/12/43/81/825124381.db2.gz CSBWVSPPIUDVMF-ZDUSSCGKSA-N 2 1 277.372 -0.680 20 0 CBADMP [NH3+]CCNCC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001220914865 825124385 /nfs/dbraw/zinc/12/43/85/825124385.db2.gz CSBWVSPPIUDVMF-ZDUSSCGKSA-N 2 1 277.372 -0.680 20 0 CBADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220977824 825131729 /nfs/dbraw/zinc/13/17/29/825131729.db2.gz DDDOZZMDRJSGKB-MJBXVCDLSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220977824 825131732 /nfs/dbraw/zinc/13/17/32/825131732.db2.gz DDDOZZMDRJSGKB-MJBXVCDLSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220977824 825131734 /nfs/dbraw/zinc/13/17/34/825131734.db2.gz DDDOZZMDRJSGKB-MJBXVCDLSA-N 2 1 299.415 -0.476 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCC1(c2cnccn2)CC1 ZINC001220992902 825134077 /nfs/dbraw/zinc/13/40/77/825134077.db2.gz XIFHESWOSLSHPF-UHFFFAOYSA-N 2 1 289.383 -0.034 20 0 CBADMP CC(C)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001221008761 825135177 /nfs/dbraw/zinc/13/51/77/825135177.db2.gz ZLYJCPZIXOIBDZ-SRVKXCTJSA-N 2 1 284.404 -0.138 20 0 CBADMP N[C@]1(C(=O)NCc2[nH+]cn3ccccc23)CC[NH2+]C1 ZINC001221008077 825135210 /nfs/dbraw/zinc/13/52/10/825135210.db2.gz IUNMFDIONMAAKR-CYBMUJFWSA-N 2 1 259.313 -0.359 20 0 CBADMP O=C(NCc1[nH+]cn2ccccc12)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001221008635 825135384 /nfs/dbraw/zinc/13/53/84/825135384.db2.gz XQLAIJZFOHZVPA-NXEZZACHSA-N 2 1 260.297 -0.327 20 0 CBADMP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1[nH+]cn2ccccc12 ZINC001221007871 825136105 /nfs/dbraw/zinc/13/61/05/825136105.db2.gz GMFBGXTZPSCHJY-JTQLQIEISA-N 3 1 293.396 -0.030 20 0 CBADMP COC[C@@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)C1CC1 ZINC001221013611 825137506 /nfs/dbraw/zinc/13/75/06/825137506.db2.gz USNREVFKEGEKDA-GFCCVEGCSA-N 2 1 255.362 -0.131 20 0 CBADMP CCOc1cccc(CNC(=O)[C@@H]([NH3+])CC[NH3+])n1 ZINC001221065209 825139855 /nfs/dbraw/zinc/13/98/55/825139855.db2.gz CIWKKVZYNLRSCB-JTQLQIEISA-N 2 1 252.318 -0.227 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC1(c2cnccn2)CC1 ZINC001221082394 825141438 /nfs/dbraw/zinc/14/14/38/825141438.db2.gz RTPHSHAUZUVSSE-UHFFFAOYSA-N 2 1 275.356 -0.077 20 0 CBADMP COCCC1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC001221133995 825146355 /nfs/dbraw/zinc/14/63/55/825146355.db2.gz FWZNOVPCVUJMHD-LBPRGKRZSA-N 2 1 295.387 -0.364 20 0 CBADMP COCCC1([NH3+])CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001221134020 825146735 /nfs/dbraw/zinc/14/67/35/825146735.db2.gz HJZQMCJULGTVQC-JTQLQIEISA-N 3 1 258.366 -0.981 20 0 CBADMP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001221241446 825158374 /nfs/dbraw/zinc/15/83/74/825158374.db2.gz VRUBYUZVKHESMU-JSGCOSHPSA-N 2 1 279.388 -0.110 20 0 CBADMP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001221241445 825159011 /nfs/dbraw/zinc/15/90/11/825159011.db2.gz VRUBYUZVKHESMU-GXTWGEPZSA-N 2 1 279.388 -0.110 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001221254809 825161573 /nfs/dbraw/zinc/16/15/73/825161573.db2.gz URFBKKSFJIYNGD-OUCADQQQSA-N 3 1 266.389 -0.747 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001221253917 825161975 /nfs/dbraw/zinc/16/19/75/825161975.db2.gz BMKZXZMZTVACAL-STQMWFEESA-N 3 1 280.416 -0.072 20 0 CBADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001221254347 825162677 /nfs/dbraw/zinc/16/26/77/825162677.db2.gz LRYXTHYFMSMMNV-STQMWFEESA-N 2 1 284.404 -0.312 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001221254672 825162718 /nfs/dbraw/zinc/16/27/18/825162718.db2.gz RYYPHLHJDMAVQF-GVXVVHGQSA-N 2 1 252.362 -0.994 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@H]1CCCNC(=O)C1 ZINC001221269590 825165135 /nfs/dbraw/zinc/16/51/35/825165135.db2.gz RALOBMIAYJMODC-NSHDSACASA-N 2 1 268.361 -0.887 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@H]1CCC[C@H]1CO ZINC001221306764 825168170 /nfs/dbraw/zinc/16/81/70/825168170.db2.gz YJQPVWCLBBSTLE-JQWIXIFHSA-N 2 1 255.362 -0.395 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N2Cc3ccccc3C[C@H]2C[NH3+])C1 ZINC001221333330 825172320 /nfs/dbraw/zinc/17/23/20/825172320.db2.gz RQYQRQPKKLVVBH-RDBSUJKOSA-N 2 1 274.368 -0.412 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1ccc(-n2ccnn2)cc1 ZINC001221340333 825175117 /nfs/dbraw/zinc/17/51/17/825175117.db2.gz VKJOMAQAMRAWKW-LBPRGKRZSA-N 2 1 274.328 -0.440 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367129 825176344 /nfs/dbraw/zinc/17/63/44/825176344.db2.gz XQDFIEYLSBAHOF-KXUCPTDWSA-N 2 1 255.297 -0.904 20 0 CBADMP [NH3+]CCCNCC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221399767 825183347 /nfs/dbraw/zinc/18/33/47/825183347.db2.gz TZLQTJKBJHPRFC-AWEZNQCLSA-N 2 1 276.384 -0.245 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)[C@@H](C)C1 ZINC001221405893 825184286 /nfs/dbraw/zinc/18/42/86/825184286.db2.gz CKYDREAEFBBDMV-LOWDOPEQSA-N 2 1 268.405 -0.089 20 0 CBADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)[C@@H](C)C1 ZINC001221405893 825184290 /nfs/dbraw/zinc/18/42/90/825184290.db2.gz CKYDREAEFBBDMV-LOWDOPEQSA-N 2 1 268.405 -0.089 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)[C@@H](C)C1 ZINC001221405893 825184295 /nfs/dbraw/zinc/18/42/95/825184295.db2.gz CKYDREAEFBBDMV-LOWDOPEQSA-N 2 1 268.405 -0.089 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CNCC[NH3+])[C@@H](C)C1 ZINC001221410609 825185512 /nfs/dbraw/zinc/18/55/12/825185512.db2.gz SMDIDDDPHRDLOE-NWDGAFQWSA-N 2 1 256.394 -0.230 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)[C@H](C)C1 ZINC001221409896 825185588 /nfs/dbraw/zinc/18/55/88/825185588.db2.gz VLYXPNZIGUPLRY-XQHKEYJVSA-N 2 1 269.389 -0.056 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2N)[C@H](C)C1 ZINC001221409528 825185730 /nfs/dbraw/zinc/18/57/30/825185730.db2.gz OSQYEBRINRIXBZ-MROQNXINSA-N 2 1 268.405 -0.232 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@H](C)C1 ZINC001221409882 825185782 /nfs/dbraw/zinc/18/57/82/825185782.db2.gz VLYXPNZIGUPLRY-FDYHWXHSSA-N 2 1 269.389 -0.056 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001221921645 825197483 /nfs/dbraw/zinc/19/74/83/825197483.db2.gz DGEZFBDRMBZWQS-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221921645 825197486 /nfs/dbraw/zinc/19/74/86/825197486.db2.gz DGEZFBDRMBZWQS-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21 ZINC001221921645 825197479 /nfs/dbraw/zinc/19/74/79/825197479.db2.gz DGEZFBDRMBZWQS-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001221950365 825197390 /nfs/dbraw/zinc/19/73/90/825197390.db2.gz DWKVWZYJZAPNPP-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP C([C@H]1[C@@H]2C[NH2+]C[C@H]12)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085773 825198785 /nfs/dbraw/zinc/19/87/85/825198785.db2.gz KMQZMCOACXQQEI-ITGUQSILSA-N 3 1 250.390 -0.521 20 0 CBADMP CC1(C)[NH2+]C[C@@H](CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)O1 ZINC001222492516 825212045 /nfs/dbraw/zinc/21/20/45/825212045.db2.gz ZBLOGVCOYQQSBH-AVGNSLFASA-N 3 1 268.405 -0.263 20 0 CBADMP CCOC(=O)CCN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491799 825212746 /nfs/dbraw/zinc/21/27/46/825212746.db2.gz ISNHFGGCZLCDBV-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP COC(=O)[C@H](C)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491571 825213185 /nfs/dbraw/zinc/21/31/85/825213185.db2.gz FAPIROCAQVOJRA-WOPDTQHZSA-N 2 1 255.362 -0.179 20 0 CBADMP COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225525787 825259070 /nfs/dbraw/zinc/25/90/70/825259070.db2.gz VCVQAXHTAWLSIX-MGPQQGTHSA-N 2 1 299.415 -0.020 20 0 CBADMP COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225525787 825259077 /nfs/dbraw/zinc/25/90/77/825259077.db2.gz VCVQAXHTAWLSIX-MGPQQGTHSA-N 2 1 299.415 -0.020 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001226555547 825280068 /nfs/dbraw/zinc/28/00/68/825280068.db2.gz XPLKVKQDPXUYSY-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+](C)CCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001229896304 825339017 /nfs/dbraw/zinc/33/90/17/825339017.db2.gz ZTGCNJIPOYLLTF-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001229896304 825339022 /nfs/dbraw/zinc/33/90/22/825339022.db2.gz ZTGCNJIPOYLLTF-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001230374358 825346395 /nfs/dbraw/zinc/34/63/95/825346395.db2.gz SOUOIYDKNPLOGU-ZDUSSCGKSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001230374358 825346404 /nfs/dbraw/zinc/34/64/04/825346404.db2.gz SOUOIYDKNPLOGU-ZDUSSCGKSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1C[C@H]2C[NH+](Cc3cn(C)c(=O)n(C)c3=O)C[C@@H]2C1 ZINC001231770939 825415594 /nfs/dbraw/zinc/41/55/94/825415594.db2.gz ARCOSTATYBPFMY-RYUDHWBXSA-N 2 1 292.383 -0.533 20 0 CBADMP C(C[N@@H+]1CCN2CCNC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001234976806 825478997 /nfs/dbraw/zinc/47/89/97/825478997.db2.gz WKFXIQOTYJVSCC-CQSZACIVSA-N 2 1 252.406 -0.035 20 0 CBADMP C(C[N@H+]1CCN2CCNC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001234976806 825479000 /nfs/dbraw/zinc/47/90/00/825479000.db2.gz WKFXIQOTYJVSCC-CQSZACIVSA-N 2 1 252.406 -0.035 20 0 CBADMP O=C1N=CNC(=O)C1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234985558 825479628 /nfs/dbraw/zinc/47/96/28/825479628.db2.gz BZVCFFNCRHSCRR-LBPRGKRZSA-N 2 1 265.317 -0.975 20 0 CBADMP COc1ncc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cn1 ZINC001234979394 825479746 /nfs/dbraw/zinc/47/97/46/825479746.db2.gz DCCROZVQQQZZPI-ZDUSSCGKSA-N 2 1 263.345 -0.378 20 0 CBADMP c1c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)nc2n1CCOC2 ZINC001234987598 825479998 /nfs/dbraw/zinc/47/99/98/825479998.db2.gz HPBHRXDVOCHTJJ-CQSZACIVSA-N 2 1 277.372 -0.449 20 0 CBADMP COCCn1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cn1 ZINC001234987225 825480409 /nfs/dbraw/zinc/48/04/09/825480409.db2.gz MYJONDJUPONTKC-CQSZACIVSA-N 2 1 279.388 -0.333 20 0 CBADMP C(CN1CC[NH2+]C[C@]12CC[NH2+]C2)[C@H]1C[NH2+]CCO1 ZINC001234981590 825480421 /nfs/dbraw/zinc/48/04/21/825480421.db2.gz OTHVDCGYVYWFPY-QWHCGFSZSA-N 3 1 254.378 -0.998 20 0 CBADMP c1nc2n(c1CN1CC[NH2+]C[C@@]13CC[NH2+]C3)CC[NH2+]CC2 ZINC001234982278 825480436 /nfs/dbraw/zinc/48/04/36/825480436.db2.gz OREFQBDSTRPGER-HNNXBMFYSA-N 3 1 290.415 -0.834 20 0 CBADMP OCc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)o1 ZINC001234988117 825480516 /nfs/dbraw/zinc/48/05/16/825480516.db2.gz QEINFULWEPRMOA-ZDUSSCGKSA-N 2 1 251.330 -0.091 20 0 CBADMP CCOC(=O)c1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)[nH]n1 ZINC001234990794 825481069 /nfs/dbraw/zinc/48/10/69/825481069.db2.gz OADYYQJKMGZLOK-CQSZACIVSA-N 2 1 293.371 -0.276 20 0 CBADMP Fc1cnc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)nc1 ZINC001234990972 825482819 /nfs/dbraw/zinc/48/28/19/825482819.db2.gz OSFLHXJXOMQJDH-LBPRGKRZSA-N 2 1 251.309 -0.247 20 0 CBADMP c1c(CN2CCN[C@@]3(CC[NH2+]C3)C2)nc2n1CC[NH2+]C2 ZINC001235055075 825485006 /nfs/dbraw/zinc/48/50/06/825485006.db2.gz ZFINGEYTSXUDBH-CQSZACIVSA-N 2 1 276.388 -0.876 20 0 CBADMP C(C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1)[C@H]1C[NH2+]CCO1 ZINC001235054201 825485326 /nfs/dbraw/zinc/48/53/26/825485326.db2.gz VEGOULSFCXMUOO-QWHCGFSZSA-N 3 1 254.378 -0.998 20 0 CBADMP C(C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1)[C@H]1C[NH2+]CCO1 ZINC001235054201 825485331 /nfs/dbraw/zinc/48/53/31/825485331.db2.gz VEGOULSFCXMUOO-QWHCGFSZSA-N 3 1 254.378 -0.998 20 0 CBADMP CC1(C)NC[C@@H](C[N@H+]2CC[C@@]3(CCNC3=O)C2)O1 ZINC001235204002 825489036 /nfs/dbraw/zinc/48/90/36/825489036.db2.gz BGIJUBWOJSEBQH-GWCFXTLKSA-N 2 1 253.346 -0.077 20 0 CBADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@@]3(CCNC3=O)C2)O1 ZINC001235204002 825489042 /nfs/dbraw/zinc/48/90/42/825489042.db2.gz BGIJUBWOJSEBQH-GWCFXTLKSA-N 2 1 253.346 -0.077 20 0 CBADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@@]3(CCNC3=O)C2)O1 ZINC001235204002 825489047 /nfs/dbraw/zinc/48/90/47/825489047.db2.gz BGIJUBWOJSEBQH-GWCFXTLKSA-N 2 1 253.346 -0.077 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@@H]4C[C@H]3C[C@@H]4[NH3+])[C@@H](O)[C@@H]2O1 ZINC001235256981 825491529 /nfs/dbraw/zinc/49/15/29/825491529.db2.gz VPQFYFPSMRXSJP-UFDUNBMBSA-N 2 1 284.356 -0.355 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3C[C@@H]4C[C@H]3C[C@@H]4[NH3+])[C@@H](O)[C@@H]2O1 ZINC001235256981 825491532 /nfs/dbraw/zinc/49/15/32/825491532.db2.gz VPQFYFPSMRXSJP-UFDUNBMBSA-N 2 1 284.356 -0.355 20 0 CBADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](CCO)C2 ZINC001235331774 825492235 /nfs/dbraw/zinc/49/22/35/825492235.db2.gz ZMANRYOCJPKXMK-XZUYRWCXSA-N 2 1 254.330 -0.691 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C[C@H]2[C@@H](C)C[NH2+]CC2(F)F)CCN1 ZINC001235447658 825496574 /nfs/dbraw/zinc/49/65/74/825496574.db2.gz ZNMASDMSIRFAOU-DCAQKATOSA-N 2 1 291.342 -0.076 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C[C@H]2[C@@H](C)C[NH2+]CC2(F)F)CCN1 ZINC001235447658 825496576 /nfs/dbraw/zinc/49/65/76/825496576.db2.gz ZNMASDMSIRFAOU-DCAQKATOSA-N 2 1 291.342 -0.076 20 0 CBADMP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1CC[NH3+] ZINC001235496180 825497709 /nfs/dbraw/zinc/49/77/09/825497709.db2.gz WDHKJJDTWXFKJJ-JSGCOSHPSA-N 2 1 285.388 -0.327 20 0 CBADMP [NH3+]CCCC[N@@H+]1CCn2c(CN3CCOCC3)nnc2C1 ZINC001235485981 825497917 /nfs/dbraw/zinc/49/79/17/825497917.db2.gz LXQHKCZDFHWJJH-UHFFFAOYSA-N 2 1 294.403 -0.335 20 0 CBADMP [NH3+]CCCC[N@H+]1CCn2c(CN3CCOCC3)nnc2C1 ZINC001235485981 825497921 /nfs/dbraw/zinc/49/79/21/825497921.db2.gz LXQHKCZDFHWJJH-UHFFFAOYSA-N 2 1 294.403 -0.335 20 0 CBADMP C[C@H]([NH3+])CN1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001235519534 825499356 /nfs/dbraw/zinc/49/93/56/825499356.db2.gz XRDBWWMOTKSYFD-AVGNSLFASA-N 2 1 277.372 -0.039 20 0 CBADMP [NH3+]CCN1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001235516494 825499548 /nfs/dbraw/zinc/49/95/48/825499548.db2.gz JKZHEGWLQYFQFO-VXGBXAGGSA-N 2 1 263.345 -0.427 20 0 CBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C[C@H](C)[NH3+])C2)C1 ZINC001235521893 825502048 /nfs/dbraw/zinc/50/20/48/825502048.db2.gz XFKVFRIVPHUTLE-DZGCQCFKSA-N 2 1 298.431 -0.506 20 0 CBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C[C@H](C)[NH3+])C2)C1 ZINC001235521893 825502051 /nfs/dbraw/zinc/50/20/51/825502051.db2.gz XFKVFRIVPHUTLE-DZGCQCFKSA-N 2 1 298.431 -0.506 20 0 CBADMP COCC[N@H+]1CCO[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001235567087 825504590 /nfs/dbraw/zinc/50/45/90/825504590.db2.gz CJZMQGDOVLVVEN-CHWSQXEVSA-N 2 1 258.362 -0.352 20 0 CBADMP COCC[NH+]1CCO[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001235567087 825504593 /nfs/dbraw/zinc/50/45/93/825504593.db2.gz CJZMQGDOVLVVEN-CHWSQXEVSA-N 2 1 258.362 -0.352 20 0 CBADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001235567087 825504599 /nfs/dbraw/zinc/50/45/99/825504599.db2.gz CJZMQGDOVLVVEN-CHWSQXEVSA-N 2 1 258.362 -0.352 20 0 CBADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](CCO)CC3)CC1 ZINC001235639007 825510066 /nfs/dbraw/zinc/51/00/66/825510066.db2.gz QRMAYGZTBDFVGD-UHFFFAOYSA-N 2 1 291.399 -0.379 20 0 CBADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](CCO)CC3)CC1 ZINC001235639007 825510069 /nfs/dbraw/zinc/51/00/69/825510069.db2.gz QRMAYGZTBDFVGD-UHFFFAOYSA-N 2 1 291.399 -0.379 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CCC[C@H](C[NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001235674317 825511717 /nfs/dbraw/zinc/51/17/17/825511717.db2.gz RPPAATRXCRIFIW-FHUSYTEZSA-N 2 1 286.372 -0.106 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@H](C[NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001235751426 825513965 /nfs/dbraw/zinc/51/39/65/825513965.db2.gz YTOGDMXHSWSHAR-LVEVGFFFSA-N 2 1 272.345 -0.496 20 0 CBADMP C(CN1CC[NH2+]CCNCC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001235864062 825515268 /nfs/dbraw/zinc/51/52/68/825515268.db2.gz AUDUHONMHPJTKO-UHFFFAOYSA-N 3 1 283.464 -0.540 20 0 CBADMP C1=CO[C@H](C[NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001235868477 825515922 /nfs/dbraw/zinc/51/59/22/825515922.db2.gz FFSOUCXYJUSGIY-AWEZNQCLSA-N 2 1 268.405 -0.237 20 0 CBADMP Cc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)n[nH]1 ZINC001235871927 825516528 /nfs/dbraw/zinc/51/65/28/825516528.db2.gz ZGZXBGVAESCFLX-UHFFFAOYSA-N 2 1 266.393 -0.697 20 0 CBADMP C([C@@H]1CCCOC1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870154 825516693 /nfs/dbraw/zinc/51/66/93/825516693.db2.gz ODRGZMUMEKBNEV-AWEZNQCLSA-N 2 1 270.421 -0.503 20 0 CBADMP C[N@H+]1CCC[C@H](CN2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001235871789 825517003 /nfs/dbraw/zinc/51/70/03/825517003.db2.gz XKEGAQGBXZVSIA-HNNXBMFYSA-N 3 1 283.464 -0.587 20 0 CBADMP CCc1[nH]ncc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235872967 825518744 /nfs/dbraw/zinc/51/87/44/825518744.db2.gz DLYUNGHUFWZXMB-UHFFFAOYSA-N 2 1 280.420 -0.444 20 0 CBADMP C[NH2+]CC[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236021807 825519350 /nfs/dbraw/zinc/51/93/50/825519350.db2.gz JQTNQLABNIHKCK-CZXHOFHRSA-N 3 1 267.373 -0.464 20 0 CBADMP C[NH2+]CC[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236021807 825519356 /nfs/dbraw/zinc/51/93/56/825519356.db2.gz JQTNQLABNIHKCK-CZXHOFHRSA-N 3 1 267.373 -0.464 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCN1CC(C)(C)[NH+]1CCOCC1 ZINC001236051637 825521940 /nfs/dbraw/zinc/52/19/40/825521940.db2.gz KRCZHXCEEFMJCU-LBPRGKRZSA-N 2 1 285.388 -0.456 20 0 CBADMP COC(=O)[C@@H]([NH3+])[C@H]1CCCN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236272920 825526110 /nfs/dbraw/zinc/52/61/10/825526110.db2.gz AHYSHGNWZVJFEM-SRVKXCTJSA-N 2 1 285.388 -0.077 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](CC2(C)CC[NH2+]CC2)C[C@@H]1N ZINC001236340016 825527021 /nfs/dbraw/zinc/52/70/21/825527021.db2.gz GWULVILKTCXGEO-QWRGUYRKSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@H]1CN(CC2(C)CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001236340016 825527025 /nfs/dbraw/zinc/52/70/25/825527025.db2.gz GWULVILKTCXGEO-QWRGUYRKSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@H]1CN(Cc2c[nH+]c(C)n2C)C[C@@H]1[NH3+] ZINC001236344094 825527750 /nfs/dbraw/zinc/52/77/50/825527750.db2.gz MWTQJZQVCZFACD-QWRGUYRKSA-N 2 1 252.318 -0.339 20 0 CBADMP [NH3+]CCS(=O)(=O)NCC[C@H]1CC[NH2+]CC1(F)F ZINC001238897523 825569247 /nfs/dbraw/zinc/56/92/47/825569247.db2.gz LYHVRUOCLIMUBP-MRVPVSSYSA-N 2 1 271.333 -0.501 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NS(=O)(=O)CC[NH3+])[C@@H](C)C1 ZINC001238912356 825571363 /nfs/dbraw/zinc/57/13/63/825571363.db2.gz LIGHDRDUGLOLTO-WDEREUQCSA-N 2 1 263.407 -0.017 20 0 CBADMP Cc1cccc(N2CCN(S(=O)(=O)CC[NH3+])CC2)[nH+]1 ZINC001238917795 825573103 /nfs/dbraw/zinc/57/31/03/825573103.db2.gz SPHQKASNIYFEED-UHFFFAOYSA-N 2 1 284.385 -0.199 20 0 CBADMP [NH3+][C@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)CCC1(F)F ZINC001238983647 825580566 /nfs/dbraw/zinc/58/05/66/825580566.db2.gz LMKUDWXHKPJJHB-VIFPVBQESA-N 2 1 283.344 -0.264 20 0 CBADMP [NH3+]CCS(=O)(=O)N1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001239093487 825586496 /nfs/dbraw/zinc/58/64/96/825586496.db2.gz MOYPCYKMLOKYIB-ZDUSSCGKSA-N 2 1 283.397 -0.209 20 0 CBADMP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CC12C[NH2+]C2 ZINC001239394518 825601810 /nfs/dbraw/zinc/60/18/10/825601810.db2.gz FINRIATXMSKVIL-NSHDSACASA-N 2 1 284.429 -0.465 20 0 CBADMP CC1([NH3+])CN(C(=S)NCCC[NH+]2CCOCC2)C1 ZINC001239402250 825603066 /nfs/dbraw/zinc/60/30/66/825603066.db2.gz DUOFCLCVHBJSNO-UHFFFAOYSA-N 2 1 272.418 -0.384 20 0 CBADMP S=C(NCCC[NH+]1CCOCC1)N1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001239452226 825605228 /nfs/dbraw/zinc/60/52/28/825605228.db2.gz OCQNJYPERQKGDG-RYUDHWBXSA-N 2 1 284.429 -0.513 20 0 CBADMP O[C@H](C[NH2+][C@@H]1CCNC[C@@H]1F)CC1(O)CC[NH2+]CC1 ZINC001245973976 825617005 /nfs/dbraw/zinc/61/70/05/825617005.db2.gz LUEBLPSZMYWXAK-SDDRHHMPSA-N 2 1 275.368 -0.859 20 0 CBADMP O[C@@H](C[NH2+][C@@H]1CCCNC1)CC1(O)CC[NH2+]CC1 ZINC001246008822 825620408 /nfs/dbraw/zinc/62/04/08/825620408.db2.gz FTEMQCWLKTZXAI-VXGBXAGGSA-N 2 1 257.378 -0.807 20 0 CBADMP O[C@H](C[NH2+][C@@H]1CCCNC1)CC1(O)CC[NH2+]CC1 ZINC001246008820 825621127 /nfs/dbraw/zinc/62/11/27/825621127.db2.gz FTEMQCWLKTZXAI-NEPJUHHUSA-N 2 1 257.378 -0.807 20 0 CBADMP [NH3+]CCCC[C@H]([NH2+]C[C@@]1(O)CC[NH2+]C1)C(=O)N1CCCC1 ZINC001246018973 825621888 /nfs/dbraw/zinc/62/18/88/825621888.db2.gz HXKANQVRNXWANN-DZGCQCFKSA-N 3 1 298.431 -0.580 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@H](O)COc2ccc(F)cc2)C[C@H]1O ZINC001246020194 825622035 /nfs/dbraw/zinc/62/20/35/825622035.db2.gz IIRAIWWNTKXXCP-VHRBIJSZSA-N 2 1 284.331 -0.183 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)COc2ccc(F)cc2)C[C@H]1O ZINC001246020194 825622041 /nfs/dbraw/zinc/62/20/41/825622041.db2.gz IIRAIWWNTKXXCP-VHRBIJSZSA-N 2 1 284.331 -0.183 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@H](O)COc2ccc(F)cc2)C[C@@H]1O ZINC001246020186 825622313 /nfs/dbraw/zinc/62/23/13/825622313.db2.gz IIRAIWWNTKXXCP-JKOKRWQUSA-N 2 1 284.331 -0.183 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)COc2ccc(F)cc2)C[C@@H]1O ZINC001246020186 825622316 /nfs/dbraw/zinc/62/23/16/825622316.db2.gz IIRAIWWNTKXXCP-JKOKRWQUSA-N 2 1 284.331 -0.183 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246018421 825622871 /nfs/dbraw/zinc/62/28/71/825622871.db2.gz DQCXCVWQXKAPJA-KGLIPLIRSA-N 3 1 273.421 -0.135 20 0 CBADMP CC[NH+](CC)C[C@@H](O)CN1CCC[C@@](O)(C[NH3+])CC1 ZINC001246018421 825622877 /nfs/dbraw/zinc/62/28/77/825622877.db2.gz DQCXCVWQXKAPJA-KGLIPLIRSA-N 2 1 273.421 -0.135 20 0 CBADMP CCN(CC)C[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246018421 825622881 /nfs/dbraw/zinc/62/28/81/825622881.db2.gz DQCXCVWQXKAPJA-KGLIPLIRSA-N 2 1 273.421 -0.135 20 0 CBADMP CCN(CC)C[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246018421 825622886 /nfs/dbraw/zinc/62/28/86/825622886.db2.gz DQCXCVWQXKAPJA-KGLIPLIRSA-N 2 1 273.421 -0.135 20 0 CBADMP COc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246020226 825623042 /nfs/dbraw/zinc/62/30/42/825623042.db2.gz ILEMZAKCOOYNGW-XQQFMLRXSA-N 2 1 296.367 -0.314 20 0 CBADMP COc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246020226 825623044 /nfs/dbraw/zinc/62/30/44/825623044.db2.gz ILEMZAKCOOYNGW-XQQFMLRXSA-N 2 1 296.367 -0.314 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@H]1O ZINC001246024560 825623554 /nfs/dbraw/zinc/62/35/54/825623554.db2.gz UWSAZGKUUQPSKV-DMDPSCGWSA-N 2 1 270.329 -0.592 20 0 CBADMP OC1(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CCOCC1 ZINC001246024198 825624838 /nfs/dbraw/zinc/62/48/38/825624838.db2.gz GTRWOYLAOIGCTK-GFCCVEGCSA-N 2 1 255.362 -0.835 20 0 CBADMP COc1cccc([C@@H](O)C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001246025992 825626471 /nfs/dbraw/zinc/62/64/71/825626471.db2.gz YPXMDLUBKFVYRA-FPMFFAJLSA-N 2 1 266.341 -0.020 20 0 CBADMP COc1cccc([C@@H](O)C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001246025992 825626466 /nfs/dbraw/zinc/62/64/66/825626466.db2.gz YPXMDLUBKFVYRA-FPMFFAJLSA-N 2 1 266.341 -0.020 20 0 CBADMP OC1(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC[NH2+]CC1 ZINC001246027992 825626727 /nfs/dbraw/zinc/62/67/27/825626727.db2.gz YVPMOECWCXFDTH-STQMWFEESA-N 3 1 268.405 -0.873 20 0 CBADMP CCOC[C@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246031433 825627514 /nfs/dbraw/zinc/62/75/14/825627514.db2.gz QJNIVMMLUSOANV-GFCCVEGCSA-N 2 1 257.378 -0.589 20 0 CBADMP O[C@@H](COCc1ccco1)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246028994 825627651 /nfs/dbraw/zinc/62/76/51/825627651.db2.gz OGEURKYZQJOVJR-UKRRQHHQSA-N 2 1 295.383 -0.206 20 0 CBADMP CCCOC[C@H](O)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246029109 825627662 /nfs/dbraw/zinc/62/76/62/825627662.db2.gz VHUGHTHDKANIJZ-CHWSQXEVSA-N 2 1 257.378 -0.589 20 0 CBADMP CCCOC[C@H](O)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246029109 825627663 /nfs/dbraw/zinc/62/76/63/825627663.db2.gz VHUGHTHDKANIJZ-CHWSQXEVSA-N 2 1 257.378 -0.589 20 0 CBADMP CC(C)OC[C@@H](O)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246031008 825627681 /nfs/dbraw/zinc/62/76/81/825627681.db2.gz ZPTNZDGZOPQUQQ-QWHCGFSZSA-N 2 1 257.378 -0.590 20 0 CBADMP CC(C)OC[C@@H](O)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246031008 825627685 /nfs/dbraw/zinc/62/76/85/825627685.db2.gz ZPTNZDGZOPQUQQ-QWHCGFSZSA-N 2 1 257.378 -0.590 20 0 CBADMP CCOC[C@@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246031434 825627719 /nfs/dbraw/zinc/62/77/19/825627719.db2.gz QJNIVMMLUSOANV-LBPRGKRZSA-N 2 1 257.378 -0.589 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC[C@@H]1F ZINC001246028260 825627778 /nfs/dbraw/zinc/62/77/78/825627778.db2.gz JFKXGOBXFMLTRT-RWMBFGLXSA-N 3 1 289.395 -0.387 20 0 CBADMP N[C@@H]1CC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC[C@@H]1F ZINC001246028260 825627780 /nfs/dbraw/zinc/62/77/80/825627780.db2.gz JFKXGOBXFMLTRT-RWMBFGLXSA-N 2 1 289.395 -0.387 20 0 CBADMP N[C@@H]1CC[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC[C@@H]1F ZINC001246028260 825627783 /nfs/dbraw/zinc/62/77/83/825627783.db2.gz JFKXGOBXFMLTRT-RWMBFGLXSA-N 2 1 289.395 -0.387 20 0 CBADMP [NH3+][C@@H]1CCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CC[C@@H]1F ZINC001246028260 825627785 /nfs/dbraw/zinc/62/77/85/825627785.db2.gz JFKXGOBXFMLTRT-RWMBFGLXSA-N 2 1 289.395 -0.387 20 0 CBADMP CCCOC[C@H](O)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246032528 825627970 /nfs/dbraw/zinc/62/79/70/825627970.db2.gz YMHANYOEGJWBSA-OLZOCXBDSA-N 2 1 257.378 -0.589 20 0 CBADMP CCCOC[C@@H](O)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246029126 825628318 /nfs/dbraw/zinc/62/83/18/825628318.db2.gz VHUGHTHDKANIJZ-STQMWFEESA-N 2 1 257.378 -0.589 20 0 CBADMP CCCOC[C@@H](O)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246029126 825628321 /nfs/dbraw/zinc/62/83/21/825628321.db2.gz VHUGHTHDKANIJZ-STQMWFEESA-N 2 1 257.378 -0.589 20 0 CBADMP OC1(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC001246035197 825629394 /nfs/dbraw/zinc/62/93/94/825629394.db2.gz ZVNXWDPWCYMZBY-UHFFFAOYSA-N 3 1 268.405 -0.872 20 0 CBADMP CCOC(=O)[C@]12C[N@@H+](C[C@H](O)COC)C[C@H]1C[NH2+]CC2 ZINC001246048702 825629534 /nfs/dbraw/zinc/62/95/34/825629534.db2.gz ZZGUOEZFDXDYFL-MBNYWOFBSA-N 2 1 286.372 -0.532 20 0 CBADMP CCCC[C@@H](O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246052014 825630341 /nfs/dbraw/zinc/63/03/41/825630341.db2.gz AICOTQQCSSOPBX-CQSZACIVSA-N 2 1 272.437 -0.378 20 0 CBADMP COC(=O)C1(C[NH2+][C@@H]2CCCNC2)CC[NH2+]CC1 ZINC001246095240 825634871 /nfs/dbraw/zinc/63/48/71/825634871.db2.gz DTFYRGKXBXKWPV-LLVKDONJSA-N 2 1 255.362 -0.129 20 0 CBADMP COC(=O)C1(C[NH2+][C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC001246095240 825634873 /nfs/dbraw/zinc/63/48/73/825634873.db2.gz DTFYRGKXBXKWPV-LLVKDONJSA-N 3 1 255.362 -0.129 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCNCC2)CN1 ZINC001246089647 825634920 /nfs/dbraw/zinc/63/49/20/825634920.db2.gz REAPFJWFGXGZGL-KGLIPLIRSA-N 2 1 298.431 -0.445 20 0 CBADMP COC(=O)C1(C[NH2+][C@H]2CCCNC2)CC[NH2+]CC1 ZINC001246095243 825635353 /nfs/dbraw/zinc/63/53/53/825635353.db2.gz DTFYRGKXBXKWPV-NSHDSACASA-N 2 1 255.362 -0.129 20 0 CBADMP COC(=O)C1(C[NH2+][C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC001246095243 825635357 /nfs/dbraw/zinc/63/53/57/825635357.db2.gz DTFYRGKXBXKWPV-NSHDSACASA-N 3 1 255.362 -0.129 20 0 CBADMP C[C@@H]1CC[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)C[NH2+]1 ZINC001246097620 825636044 /nfs/dbraw/zinc/63/60/44/825636044.db2.gz ZIWYHOVEXZNULF-GHMZBOCLSA-N 2 1 255.362 -0.001 20 0 CBADMP CS(=O)(=O)N1CCC([NH2+][C@@H]2C[NH2+]CC23CC3)CC1 ZINC001246135703 825638469 /nfs/dbraw/zinc/63/84/69/825638469.db2.gz URGGXSZZHSFORB-LLVKDONJSA-N 2 1 273.402 -0.248 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[NH2+]1 ZINC001246135153 825639368 /nfs/dbraw/zinc/63/93/68/825639368.db2.gz QZSCXRNUTZHHRM-CBLPJQPBSA-N 2 1 283.372 -0.754 20 0 CBADMP C1[NH2+]CC12C[C@@H](N[C@H]1COCCC13C[NH2+]C3)CCN2 ZINC001246138446 825639906 /nfs/dbraw/zinc/63/99/06/825639906.db2.gz MLVMEAUSOYLFFR-RYUDHWBXSA-N 2 1 266.389 -0.952 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@]23CCCO[C@@H]2CC[NH2+]C3)CN1 ZINC001246152102 825642028 /nfs/dbraw/zinc/64/20/28/825642028.db2.gz OPJOGGVJICFCFN-XPCVCDNBSA-N 2 1 297.399 -0.362 20 0 CBADMP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CCCC[C@@]13C[NH2+]CCO3)CCN2 ZINC001246157511 825643693 /nfs/dbraw/zinc/64/36/93/825643693.db2.gz BSXMMYVHEDUSBM-OFQRWUPVSA-N 3 1 294.443 -0.029 20 0 CBADMP F[C@@]1(CN[C@@H]2CCNC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246180149 825645528 /nfs/dbraw/zinc/64/55/28/825645528.db2.gz PZQIJEBNDSWYIC-NEPJUHHUSA-N 2 1 256.369 -0.238 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCC[NH2+]C1 ZINC001246210329 825650707 /nfs/dbraw/zinc/65/07/07/825650707.db2.gz HMFYBXXWPHCMGU-ZJUUUORDSA-N 3 1 271.365 -0.867 20 0 CBADMP FC1(F)CNCC[C@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246207693 825650935 /nfs/dbraw/zinc/65/09/35/825650935.db2.gz AUDSLZRPXUSTFY-NXEZZACHSA-N 2 1 260.332 -0.333 20 0 CBADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246225269 825653073 /nfs/dbraw/zinc/65/30/73/825653073.db2.gz BIHVPZHNWYLCJN-MNOVXSKESA-N 3 1 274.359 -0.085 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)CN1 ZINC001246232024 825654324 /nfs/dbraw/zinc/65/43/24/825654324.db2.gz PPRJJOIWKBLHPF-BBBLOLIVSA-N 2 1 277.315 -0.276 20 0 CBADMP COC(=O)[C@@H]1C[C@H](n2cc3c(n2)CC[C@@H]([NH3+])C3)C[NH2+]1 ZINC001246237529 825655115 /nfs/dbraw/zinc/65/51/15/825655115.db2.gz PCWLSHZPVPJHEW-SCVCMEIPSA-N 2 1 264.329 -0.225 20 0 CBADMP NC(=O)C1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC001246257638 825656176 /nfs/dbraw/zinc/65/61/76/825656176.db2.gz UDEAITLIHHXLIP-ZACCUICWSA-N 2 1 253.346 -0.107 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)CN1 ZINC001246249191 825657133 /nfs/dbraw/zinc/65/71/33/825657133.db2.gz JUMQBNCKVAZPJW-FOGDFJRCSA-N 2 1 282.344 -0.789 20 0 CBADMP C[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCC[NH3+])CN1 ZINC001246288104 825660238 /nfs/dbraw/zinc/66/02/38/825660238.db2.gz LLEFHPYYMATPJR-KGLIPLIRSA-N 2 1 289.420 -0.275 20 0 CBADMP C[C@H]1C[C@H](NCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246291970 825660568 /nfs/dbraw/zinc/66/05/68/825660568.db2.gz WKJQIQROZCIFTG-UONOGXRCSA-N 2 1 289.420 -0.275 20 0 CBADMP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246305137 825661880 /nfs/dbraw/zinc/66/18/80/825661880.db2.gz GRUNTUYFINFQOW-RCWTZXSCSA-N 2 1 271.361 -0.217 20 0 CBADMP OC[C@H]1C[NH2+]C[C@@H]1[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246300508 825662300 /nfs/dbraw/zinc/66/23/00/825662300.db2.gz RXSMIKNGWODAQI-ZIHBUVQPSA-N 3 1 269.389 -0.543 20 0 CBADMP CS(=O)(=O)C1CCC([NH2+][C@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246306788 825663590 /nfs/dbraw/zinc/66/35/90/825663590.db2.gz LMXFUYHMYXPESD-XKGSQUFQSA-N 2 1 276.402 -0.488 20 0 CBADMP CCOC(=O)c1noc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)n1 ZINC001246317627 825664126 /nfs/dbraw/zinc/66/41/26/825664126.db2.gz WQMVZVRXHOJOMI-SECBINFHSA-N 2 1 295.343 -0.570 20 0 CBADMP C[C@H]1C[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC[NH2+]1 ZINC001246353150 825668120 /nfs/dbraw/zinc/66/81/20/825668120.db2.gz UQYLVZUCCCJBEN-VHSXEESVSA-N 3 1 260.342 -0.735 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246362904 825668650 /nfs/dbraw/zinc/66/86/50/825668650.db2.gz RIROMMBQOLHQHR-MNXVOIDGSA-N 2 1 297.399 -0.139 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246362904 825668653 /nfs/dbraw/zinc/66/86/53/825668653.db2.gz RIROMMBQOLHQHR-MNXVOIDGSA-N 2 1 297.399 -0.139 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246445154 825673576 /nfs/dbraw/zinc/67/35/76/825673576.db2.gz MYIJZGGVKIRXIG-WDEREUQCSA-N 2 1 253.346 -0.425 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])CN1 ZINC001246457673 825674645 /nfs/dbraw/zinc/67/46/45/825674645.db2.gz PZEQDDVORWNOCT-VXGBXAGGSA-N 3 1 272.393 -0.802 20 0 CBADMP [NH3+]CCC[NH2+]CCC[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246455722 825674988 /nfs/dbraw/zinc/67/49/88/825674988.db2.gz YAHKCOMWCUJLJY-GFCCVEGCSA-N 4 1 256.394 -0.575 20 0 CBADMP COC(=O)[C@@H]1C[C@H](NCCC[NH2+]CCCC[NH3+])CCN1 ZINC001246457114 825675211 /nfs/dbraw/zinc/67/52/11/825675211.db2.gz NDBDGGQGVBYVND-OLZOCXBDSA-N 2 1 286.420 -0.412 20 0 CBADMP COC(=O)[C@@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246524557 825679976 /nfs/dbraw/zinc/67/99/76/825679976.db2.gz GVIBWNACRMBHKQ-NEPJUHHUSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@@H](F)[C@@H]([NH3+])C2)C[NH2+]1 ZINC001246527097 825681486 /nfs/dbraw/zinc/68/14/86/825681486.db2.gz SIAYSOIBAIVCDJ-MIZYBKAJSA-N 2 1 259.325 -0.349 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246545439 825682951 /nfs/dbraw/zinc/68/29/51/825682951.db2.gz VZFBXJIEOSGEKQ-ZFWWWQNUSA-N 2 1 299.415 -0.201 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246556445 825684185 /nfs/dbraw/zinc/68/41/85/825684185.db2.gz ZYWUUDSYMPUJAO-VHDGCEQUSA-N 2 1 299.415 -0.154 20 0 CBADMP C[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1C[NH3+] ZINC001246551959 825684223 /nfs/dbraw/zinc/68/42/23/825684223.db2.gz MVBAHGDNOZVYEP-JHJVBQTASA-N 3 1 252.406 -0.003 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2C[C@H](C)CC[C@H]2C[NH3+])C[NH2+]1 ZINC001246555276 825684958 /nfs/dbraw/zinc/68/49/58/825684958.db2.gz GFHFOVLZQQLLJI-NOOOWODRSA-N 2 1 255.362 -0.051 20 0 CBADMP COC(=O)[C@@]1(F)CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246548568 825685034 /nfs/dbraw/zinc/68/50/34/825685034.db2.gz IZOCEUWXAORKHV-ZWNOBZJWSA-N 2 1 271.336 -0.333 20 0 CBADMP OC[C@@H]1C[C@@H](F)C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246553474 825685063 /nfs/dbraw/zinc/68/50/63/825685063.db2.gz YFTYRRPJQOGTNS-UTUOFQBUSA-N 2 1 257.353 -0.267 20 0 CBADMP COC(=O)[C@H]1C[C@@H](N2CCCC[C@@](O)(C[NH3+])C2)C[NH2+]1 ZINC001246559892 825685674 /nfs/dbraw/zinc/68/56/74/825685674.db2.gz OGDZHNIUQTUHIW-NQBHXWOUSA-N 2 1 271.361 -0.934 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246559841 825686098 /nfs/dbraw/zinc/68/60/98/825686098.db2.gz FINPLHGWLSRAIT-GRYCIOLGSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246559841 825686102 /nfs/dbraw/zinc/68/61/02/825686102.db2.gz FINPLHGWLSRAIT-GRYCIOLGSA-N 2 1 255.362 -0.097 20 0 CBADMP O[C@]1(CF)CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1F ZINC001246572025 825687629 /nfs/dbraw/zinc/68/76/29/825687629.db2.gz CTUUHUAKAFYTIU-MDZLAQPJSA-N 2 1 275.343 -0.175 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@H](N2CC[C@@H](O)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246573837 825687994 /nfs/dbraw/zinc/68/79/94/825687994.db2.gz NCHWTPLQSWLPMR-WGBDABJCSA-N 2 1 271.361 -0.936 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@@H]([NH3+])CC(F)(F)C2)C[NH2+]1 ZINC001246576174 825689026 /nfs/dbraw/zinc/68/90/26/825689026.db2.gz RHZHAIHZEHYCNZ-CIUDSAMLSA-N 2 1 263.288 -0.442 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCCC3(C2)OCCO3)C[C@@H]1O ZINC001246583216 825690550 /nfs/dbraw/zinc/69/05/50/825690550.db2.gz IVBRGOJGVBYKQL-TUAOUCFPSA-N 2 1 256.346 -0.077 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246585196 825690624 /nfs/dbraw/zinc/69/06/24/825690624.db2.gz NETQMOQDPJUOGV-NOOOWODRSA-N 2 1 256.346 -0.030 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)C[C@@H]1O ZINC001246581122 825690638 /nfs/dbraw/zinc/69/06/38/825690638.db2.gz PNXCGUMPTFMXTJ-PPWQZUPISA-N 3 1 283.416 -0.119 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C2CCC(N3CCOCC3)CC2)C[C@@H]1O ZINC001246581122 825690640 /nfs/dbraw/zinc/69/06/40/825690640.db2.gz PNXCGUMPTFMXTJ-PPWQZUPISA-N 2 1 283.416 -0.119 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C2CCC(N3CCOCC3)CC2)C[C@@H]1O ZINC001246581122 825690647 /nfs/dbraw/zinc/69/06/47/825690647.db2.gz PNXCGUMPTFMXTJ-PPWQZUPISA-N 2 1 283.416 -0.119 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCCC3(C2)OCCO3)C[C@@H]1O ZINC001246583212 825690995 /nfs/dbraw/zinc/69/09/95/825690995.db2.gz IVBRGOJGVBYKQL-SRVKXCTJSA-N 2 1 256.346 -0.077 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@H](C[NH3+])CC[C@H]2C)C[NH2+]1 ZINC001246588937 825692386 /nfs/dbraw/zinc/69/23/86/825692386.db2.gz BRVWOZJQXMVRCC-RHYQMDGZSA-N 2 1 255.362 -0.051 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CN1 ZINC001246592566 825692722 /nfs/dbraw/zinc/69/27/22/825692722.db2.gz KJTGGPJBLMIHSQ-SRVKXCTJSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CN1 ZINC001246592566 825692725 /nfs/dbraw/zinc/69/27/25/825692725.db2.gz KJTGGPJBLMIHSQ-SRVKXCTJSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCCC[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246592566 825692728 /nfs/dbraw/zinc/69/27/28/825692728.db2.gz KJTGGPJBLMIHSQ-SRVKXCTJSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CN1 ZINC001246593698 825692843 /nfs/dbraw/zinc/69/28/43/825692843.db2.gz HOHWNAQXZSJOAY-OLZOCXBDSA-N 2 1 296.415 -0.693 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CN1 ZINC001246593698 825692848 /nfs/dbraw/zinc/69/28/48/825692848.db2.gz HOHWNAQXZSJOAY-OLZOCXBDSA-N 2 1 296.415 -0.693 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@@]3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246599211 825694108 /nfs/dbraw/zinc/69/41/08/825694108.db2.gz BDQULJWEMFRGEE-DYEKYZERSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246618579 825695214 /nfs/dbraw/zinc/69/52/14/825695214.db2.gz MSYJWBRQSMRGGT-RFGFWPKPSA-N 2 1 296.415 -0.694 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCN[C@H]3CC[NH2+]CC[C@@H]31)CS2 ZINC001246618107 825695371 /nfs/dbraw/zinc/69/53/71/825695371.db2.gz KDAZPJZDCGBAIO-AGIUHOORSA-N 3 1 282.457 -0.140 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC[C@@]3(CC[NH2+]3)C2)C[NH2+]1 ZINC001246615981 825695490 /nfs/dbraw/zinc/69/54/90/825695490.db2.gz YZINPPVOVZGPJS-NTZNESFSSA-N 2 1 253.346 -0.282 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@@]23CCC[NH2+]C3)C[NH2+]1 ZINC001246608056 825695504 /nfs/dbraw/zinc/69/55/04/825695504.db2.gz VQEFHKLIMQQBES-NTZNESFSSA-N 2 1 253.346 -0.282 20 0 CBADMP C1C[C@]2(CCC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)[NH2+]1 ZINC001246614316 825695724 /nfs/dbraw/zinc/69/57/24/825695724.db2.gz RNKSAFXCYZBCQX-STQMWFEESA-N 3 1 250.390 -0.092 20 0 CBADMP C1C[C@]2(CCC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)[NH2+]1 ZINC001246614316 825695727 /nfs/dbraw/zinc/69/57/27/825695727.db2.gz RNKSAFXCYZBCQX-STQMWFEESA-N 3 1 250.390 -0.092 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@]23CCC[NH2+]C3)C[NH2+]1 ZINC001246608053 825695850 /nfs/dbraw/zinc/69/58/50/825695850.db2.gz VQEFHKLIMQQBES-GVXVVHGQSA-N 2 1 253.346 -0.282 20 0 CBADMP O=C1CC[C@@H]2C[C@H](N3CC[NH2+]C[C@@]34CC[NH2+]C4)CCN12 ZINC001246623650 825696430 /nfs/dbraw/zinc/69/64/30/825696430.db2.gz BEKVFMANBQXHKQ-NFAWXSAZSA-N 2 1 278.400 -0.223 20 0 CBADMP O=C1C[C@H]([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246619452 825696529 /nfs/dbraw/zinc/69/65/29/825696529.db2.gz RJRWCAVMQFOUNJ-WOPDTQHZSA-N 2 1 252.362 -0.709 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCN[C@H]3CC[NH2+]CC[C@@H]31)CCN2 ZINC001246619748 825696653 /nfs/dbraw/zinc/69/66/53/825696653.db2.gz UITRGGOOORKQAU-IHRRRGAJSA-N 3 1 279.432 -0.894 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCO[C@]3(CCC[NH2+]C3)C2)C[NH2+]1 ZINC001246625445 825696763 /nfs/dbraw/zinc/69/67/63/825696763.db2.gz VTQHLPNVZVOUNY-DYEKYZERSA-N 2 1 283.372 -0.656 20 0 CBADMP COC(=O)N1CCC(N2CC[NH2+]C[C@]23CC[NH2+]C3)CC1 ZINC001246624845 825696782 /nfs/dbraw/zinc/69/67/82/825696782.db2.gz CTIMTCSRTJTNMO-CQSZACIVSA-N 2 1 282.388 -0.146 20 0 CBADMP C1C[C@@]2(C[NH2+]1)C[NH2+]CCN2[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246625193 825696828 /nfs/dbraw/zinc/69/68/28/825696828.db2.gz PQHKVKMLZRFEGH-ZOBORPQBSA-N 3 1 250.390 -0.378 20 0 CBADMP CCN1CC[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)CC1=O ZINC001246631036 825698127 /nfs/dbraw/zinc/69/81/27/825698127.db2.gz QWENBFUUHKSATH-OCCSQVGLSA-N 2 1 266.389 -0.365 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)CO1 ZINC001246629503 825698450 /nfs/dbraw/zinc/69/84/50/825698450.db2.gz OGXWDPYAAPBPEW-KCQAQPDRSA-N 2 1 297.399 -0.266 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)CO1 ZINC001246629504 825698590 /nfs/dbraw/zinc/69/85/90/825698590.db2.gz OGXWDPYAAPBPEW-VNHYZAJKSA-N 2 1 297.399 -0.266 20 0 CBADMP CC(=O)N1CC[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001246632898 825699522 /nfs/dbraw/zinc/69/95/22/825699522.db2.gz XMXZVDSUEMAAEQ-OLZOCXBDSA-N 2 1 252.362 -0.756 20 0 CBADMP COC(=O)[C@@]12COC[C@@H]1C[N@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246642674 825700757 /nfs/dbraw/zinc/70/07/57/825700757.db2.gz MVDUKSFAHWEYMA-LOWVWBTDSA-N 2 1 254.330 -0.140 20 0 CBADMP CCN1CC[C@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1=O ZINC001246642033 825701041 /nfs/dbraw/zinc/70/10/41/825701041.db2.gz LCVOYXUAKVNUCP-GXTWGEPZSA-N 2 1 266.389 -0.365 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CCN1 ZINC001246641605 825701186 /nfs/dbraw/zinc/70/11/86/825701186.db2.gz JRMSGKOHBACCSW-IPYPFGDCSA-N 2 1 296.415 -0.693 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CCN1 ZINC001246641605 825701193 /nfs/dbraw/zinc/70/11/93/825701193.db2.gz JRMSGKOHBACCSW-IPYPFGDCSA-N 2 1 296.415 -0.693 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC[C@@]23CC[NH2+]C3)C[NH2+]1 ZINC001246645675 825702366 /nfs/dbraw/zinc/70/23/66/825702366.db2.gz CYYQDRZLZPOHSP-GVXVVHGQSA-N 2 1 253.346 -0.282 20 0 CBADMP O=C1CC[C@@H]2C[C@@H]([N@H+]3CCN[C@]4(CC[NH2+]C4)C3)CCN12 ZINC001246645322 825703048 /nfs/dbraw/zinc/70/30/48/825703048.db2.gz UHNWDHSDBWJNIH-GUTXKFCHSA-N 2 1 278.400 -0.223 20 0 CBADMP OC[C@@H]1C[C@@H]2OCC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)[C@H]2C1 ZINC001246662031 825703938 /nfs/dbraw/zinc/70/39/38/825703938.db2.gz VGTCZIKUTNKBRM-XUXIUFHCSA-N 2 1 281.400 -0.448 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](n2c(C)nc3c2CC[NH2+]CC3)C[NH2+]1 ZINC001246660618 825703986 /nfs/dbraw/zinc/70/39/86/825703986.db2.gz DSICYUKFRRVYKY-PWSUYJOCSA-N 2 1 278.356 -0.044 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCN2 ZINC001246663955 825705332 /nfs/dbraw/zinc/70/53/32/825705332.db2.gz CZVGFPIHUDYZDI-JHJVBQTASA-N 3 1 250.390 -0.378 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCN2 ZINC001246663955 825705338 /nfs/dbraw/zinc/70/53/38/825705338.db2.gz CZVGFPIHUDYZDI-JHJVBQTASA-N 3 1 250.390 -0.378 20 0 CBADMP C1[NH2+]CC1[C@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246678945 825706368 /nfs/dbraw/zinc/70/63/68/825706368.db2.gz OSSCIACOTOONED-AAEUAGOBSA-N 3 1 250.390 -0.378 20 0 CBADMP OCc1ncn2c1C[N@@H+]([C@H]1CCOC3(C[NH2+]C3)C1)CC2 ZINC001246718154 825707193 /nfs/dbraw/zinc/70/71/93/825707193.db2.gz YWKFIDDAMJWDTG-NSHDSACASA-N 2 1 278.356 -0.288 20 0 CBADMP OCc1ncn2c1C[N@H+]([C@H]1CCOC3(C[NH2+]C3)C1)CC2 ZINC001246718154 825707202 /nfs/dbraw/zinc/70/72/02/825707202.db2.gz YWKFIDDAMJWDTG-NSHDSACASA-N 2 1 278.356 -0.288 20 0 CBADMP CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246760808 825708869 /nfs/dbraw/zinc/70/88/69/825708869.db2.gz RDLJDKOZBGAJKU-AWEZNQCLSA-N 2 1 280.372 -0.839 20 0 CBADMP CC(=O)N1CC(=O)NC[C@]12CC[N@H+](C1CC[NH2+]CC1)C2 ZINC001246760808 825708875 /nfs/dbraw/zinc/70/88/75/825708875.db2.gz RDLJDKOZBGAJKU-AWEZNQCLSA-N 2 1 280.372 -0.839 20 0 CBADMP CN1C[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1=O ZINC001246760379 825709106 /nfs/dbraw/zinc/70/91/06/825709106.db2.gz QEGMDJOZZGUPBG-UTUOFQBUSA-N 2 1 264.373 -0.900 20 0 CBADMP COCCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)C1CC[NH+](C)CC1 ZINC001246779540 825710048 /nfs/dbraw/zinc/71/00/48/825710048.db2.gz QBGRHAKJXVFBGB-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC[C@@H]([NH+](C)C)C2)C[NH2+]1 ZINC001246776436 825710734 /nfs/dbraw/zinc/71/07/34/825710734.db2.gz NGEVKRNGTFIZBA-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP C1[NH2+]CC12C[C@H](N1CC[N@H+]3CCC[C@H]3C1)CCN2 ZINC001246776647 825710657 /nfs/dbraw/zinc/71/06/57/825710657.db2.gz LMHTUGAGZHJXIF-OLZOCXBDSA-N 2 1 250.390 -0.140 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCN(C3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246795522 825711403 /nfs/dbraw/zinc/71/14/03/825711403.db2.gz MQMKZZKCBZMOLP-KGLIPLIRSA-N 2 1 296.415 -0.741 20 0 CBADMP NC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246794049 825711524 /nfs/dbraw/zinc/71/15/24/825711524.db2.gz WFRAMQULKNTNRM-QWRGUYRKSA-N 2 1 252.362 -0.580 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@H](N3CCOCC3)C1)CCN2 ZINC001246795830 825712208 /nfs/dbraw/zinc/71/22/08/825712208.db2.gz KKEJWKWFVZASBK-KBPBESRZSA-N 2 1 280.416 -0.513 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+]C2)CN1 ZINC001246815305 825714613 /nfs/dbraw/zinc/71/46/13/825714613.db2.gz XSSXXVUCSOTQLJ-WOPDTQHZSA-N 2 1 255.362 -0.179 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+]C2)CN1 ZINC001246815305 825714618 /nfs/dbraw/zinc/71/46/18/825714618.db2.gz XSSXXVUCSOTQLJ-WOPDTQHZSA-N 2 1 255.362 -0.179 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246820049 825715995 /nfs/dbraw/zinc/71/59/95/825715995.db2.gz JDEIDTPBLQNNBB-OAHLLOKOSA-N 3 1 283.464 -0.445 20 0 CBADMP C1[C@@H]2C[C@H](N3CC[NH2+]CCNCC[NH2+]CC3)C[C@H]12 ZINC001246820611 825716107 /nfs/dbraw/zinc/71/61/07/825716107.db2.gz KEMNNIVLBGEQDH-WDNDVIMCSA-N 2 1 252.406 -0.131 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N(C2COC2)C2CC[NH2+]CC2)C[NH2+]1 ZINC001246847152 825720086 /nfs/dbraw/zinc/72/00/86/825720086.db2.gz QATNLBCUORYYSA-YPMHNXCESA-N 2 1 283.372 -0.657 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CN1 ZINC001246849108 825721519 /nfs/dbraw/zinc/72/15/19/825721519.db2.gz YAXVGWUJLZPNTB-RNJOBUHISA-N 2 1 267.373 -0.179 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCN1[C@H]1CCC[N@@H+](C)CC1 ZINC001246858039 825722813 /nfs/dbraw/zinc/72/28/13/825722813.db2.gz ZJSVULDUBPAGQY-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CCN1 ZINC001246862249 825723599 /nfs/dbraw/zinc/72/35/99/825723599.db2.gz QNFPYPGIGSAWGL-NOHGZBONSA-N 2 1 253.346 -0.297 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@H](N2CC[NH2+]C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246867005 825726263 /nfs/dbraw/zinc/72/62/63/825726263.db2.gz MENIBHJVEOPENU-MJVIPROJSA-N 2 1 299.371 -0.883 20 0 CBADMP [NH3+]CC1CN([C@@H]2CCC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246868274 825726316 /nfs/dbraw/zinc/72/63/16/825726316.db2.gz BAEQGKJGARHHKZ-LSDHHAIUSA-N 3 1 293.459 -0.565 20 0 CBADMP CCOC(=O)C[N@@H+](CC)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246888497 825726796 /nfs/dbraw/zinc/72/67/96/825726796.db2.gz BIKOWFPTENMPAZ-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@@H+]1C[C@H]3CCC[C@@H](C1)N3)CCN2 ZINC001246883041 825727029 /nfs/dbraw/zinc/72/70/29/825727029.db2.gz SXPKFFIAMQMNKM-XQQFMLRXSA-N 2 1 250.390 -0.093 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1C[C@H]3CCC[C@@H](C1)[NH2+]3)CCN2 ZINC001246883041 825727033 /nfs/dbraw/zinc/72/70/33/825727033.db2.gz SXPKFFIAMQMNKM-XQQFMLRXSA-N 2 1 250.390 -0.093 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH+]2CCC(N3CC[NH2+]CC3)CC2)CN1 ZINC001246885135 825728042 /nfs/dbraw/zinc/72/80/42/825728042.db2.gz DUWQWMPHOSINNI-KGLIPLIRSA-N 2 1 296.415 -0.741 20 0 CBADMP Cn1ncc2c1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246872112 825728056 /nfs/dbraw/zinc/72/80/56/825728056.db2.gz PIMRBUNQZVGYFX-LBPRGKRZSA-N 2 1 261.373 -0.128 20 0 CBADMP CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246894072 825728527 /nfs/dbraw/zinc/72/85/27/825728527.db2.gz NCQUIEFKPWOZGW-NWDGAFQWSA-N 2 1 252.362 -0.709 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N(C)[C@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246914605 825731660 /nfs/dbraw/zinc/73/16/60/825731660.db2.gz SWFKNUIIXGDPOU-NTZNESFSSA-N 2 1 255.362 -0.036 20 0 CBADMP CCC[C@@H]1C[NH2+]CCN1[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246928935 825732806 /nfs/dbraw/zinc/73/28/06/825732806.db2.gz PIERTURUUNVPBM-WOPDTQHZSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@H]([NH3+])[C@H]1CCCN([C@@H]2CCC[NH2+]C2)C1 ZINC001246926890 825732967 /nfs/dbraw/zinc/73/29/67/825732967.db2.gz UTRWLLNXZOOBTG-QJPTWQEYSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1N ZINC001246928761 825733134 /nfs/dbraw/zinc/73/31/34/825733134.db2.gz AIPBSEYLZTYGMA-SBEAFCBVSA-N 2 1 297.399 -0.280 20 0 CBADMP COC(=O)[C@H]1C[N@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1N ZINC001246928761 825733137 /nfs/dbraw/zinc/73/31/37/825733137.db2.gz AIPBSEYLZTYGMA-SBEAFCBVSA-N 2 1 297.399 -0.280 20 0 CBADMP COC(=O)[C@@H]1CN([C@H]2CCC[N@@H+](C)CC2)C[C@@H]1[NH3+] ZINC001246928885 825733161 /nfs/dbraw/zinc/73/31/61/825733161.db2.gz BFSSARMLGSAPFT-TUAOUCFPSA-N 2 1 255.362 -0.097 20 0 CBADMP CN(C)C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246958940 825735567 /nfs/dbraw/zinc/73/55/67/825735567.db2.gz CUXXJQQRAMFVFU-CHWSQXEVSA-N 2 1 295.431 -0.184 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C)CCN1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246947091 825735939 /nfs/dbraw/zinc/73/59/39/825735939.db2.gz UVIGUAIVAGXZPW-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C)CCN1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246947091 825735942 /nfs/dbraw/zinc/73/59/42/825735942.db2.gz UVIGUAIVAGXZPW-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP OC[C@H]1CCn2nccc2C[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246939996 825736446 /nfs/dbraw/zinc/73/64/46/825736446.db2.gz HXLQUNQRDXKHMB-TZMCWYRMSA-N 2 1 291.399 -0.456 20 0 CBADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]12 ZINC001246971981 825736911 /nfs/dbraw/zinc/73/69/11/825736911.db2.gz CEGLQLGNHSBAPL-FDYHWXHSSA-N 3 1 250.390 -0.251 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCO[C@H](C[NH+]3CCCC3)C2)C[NH2+]1 ZINC001246980078 825737195 /nfs/dbraw/zinc/73/71/95/825737195.db2.gz QUKLPLUGDBGJTB-MCIONIFRSA-N 2 1 297.399 -0.314 20 0 CBADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]12 ZINC001246971989 825737317 /nfs/dbraw/zinc/73/73/17/825737317.db2.gz CEGLQLGNHSBAPL-FVCCEPFGSA-N 3 1 250.390 -0.251 20 0 CBADMP CNC(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246966720 825737828 /nfs/dbraw/zinc/73/78/28/825737828.db2.gz ZSCGXGZTDXHFRJ-RYUDHWBXSA-N 2 1 281.404 -0.526 20 0 CBADMP COC(=O)[C@H]1C[C@@H](N(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246985854 825738613 /nfs/dbraw/zinc/73/86/13/825738613.db2.gz LEODHSUPEVRXJT-BFHYXJOUSA-N 3 1 298.431 -0.495 20 0 CBADMP COCCCN([C@H]1CC[NH2+]C1)[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246983341 825739792 /nfs/dbraw/zinc/73/97/92/825739792.db2.gz FCGQRPGOHIETPR-AVGNSLFASA-N 2 1 285.388 -0.410 20 0 CBADMP CCN1C[C@@H]2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2C1 ZINC001246981107 825739974 /nfs/dbraw/zinc/73/99/74/825739974.db2.gz UTNHMDPVHHXQBL-MCIONIFRSA-N 2 1 264.417 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3[NH2+]CCC[C@H]3C2)C[NH2+]1 ZINC001247012202 825742495 /nfs/dbraw/zinc/74/24/95/825742495.db2.gz CVKSTOJWCTZVCG-CYDGBPFRSA-N 2 1 267.373 -0.036 20 0 CBADMP CCC[NH+]1C[C@@H]2C[NH+](C[C@H](O)CN3CCOCC3)C[C@H]2C1 ZINC001251024298 825764882 /nfs/dbraw/zinc/76/48/82/825764882.db2.gz OMRHVZWZOGJZPI-BZUAXINKSA-N 2 1 297.443 -0.047 20 0 CBADMP CCC[NH+]1C[C@@H]2C[NH+](C[C@@H](O)CN3CCOCC3)C[C@H]2C1 ZINC001251024301 825765709 /nfs/dbraw/zinc/76/57/09/825765709.db2.gz OMRHVZWZOGJZPI-OAGGEKHMSA-N 2 1 297.443 -0.047 20 0 CBADMP CCOC[C@@H](O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252029811 825813337 /nfs/dbraw/zinc/81/33/37/825813337.db2.gz WZOGAZFZUCINPR-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP COC(=O)[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001252419080 825847880 /nfs/dbraw/zinc/84/78/80/825847880.db2.gz FAYCKVNNOSDCQK-LLVKDONJSA-N 2 1 256.346 -0.062 20 0 CBADMP C[NH+]1CCN(C2C[NH+](CC3(O)CCOCC3)C2)CC1 ZINC001252966174 825898035 /nfs/dbraw/zinc/89/80/35/825898035.db2.gz VUZDWPLNCRWRDF-UHFFFAOYSA-N 2 1 269.389 -0.541 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CCN(C2COC2)C1 ZINC001253206932 825905373 /nfs/dbraw/zinc/90/53/73/825905373.db2.gz UHZIWBIUXRHTAB-GXTWGEPZSA-N 2 1 271.405 -0.248 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCCS(C)(=O)=O ZINC001253403638 825913271 /nfs/dbraw/zinc/91/32/71/825913271.db2.gz HKYYMHUAURNNLM-JTQLQIEISA-N 2 1 266.407 -0.240 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)CNCC[N@H+]1CC[C@@H](O)C1 ZINC001253406144 825914271 /nfs/dbraw/zinc/91/42/71/825914271.db2.gz ALHSFIUHJYTGPU-NEPJUHHUSA-N 2 1 259.394 -0.608 20 0 CBADMP COC(=O)[C@@H](CCC[NH3+])[NH2+]C1CCN(C(C)=O)CC1 ZINC001254415881 825960851 /nfs/dbraw/zinc/96/08/51/825960851.db2.gz HEVSDDXAASFTQR-GFCCVEGCSA-N 2 1 271.361 -0.133 20 0 CBADMP CC(=O)N1CCC(n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1 ZINC001254417421 825962019 /nfs/dbraw/zinc/96/20/19/825962019.db2.gz ZSAQQGFJFKMKBI-LLVKDONJSA-N 2 1 266.345 -0.071 20 0 CBADMP COC(=O)[C@H](N)Cc1cn([C@H]2CC[N@@H+](C)C2)cn1 ZINC001255425311 825983242 /nfs/dbraw/zinc/98/32/42/825983242.db2.gz CXRKYCHLWAZZHC-WDEREUQCSA-N 2 1 252.318 -0.198 20 0 CBADMP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CCC[N@@H+](C)C1 ZINC001255471386 825983900 /nfs/dbraw/zinc/98/39/00/825983900.db2.gz ZARLRSOGYUYTSK-MNOVXSKESA-N 2 1 285.392 -0.525 20 0 CBADMP C[C@H](NC(=O)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001255675029 825992344 /nfs/dbraw/zinc/99/23/44/825992344.db2.gz BGYFCZHWVVCVEU-PBYDBYKOSA-N 2 1 296.415 -0.030 20 0 CBADMP C[C@H](NC(=O)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001255675029 825992350 /nfs/dbraw/zinc/99/23/50/825992350.db2.gz BGYFCZHWVVCVEU-PBYDBYKOSA-N 2 1 296.415 -0.030 20 0 CBADMP O=C1CO[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)CN1 ZINC001256068459 826001503 /nfs/dbraw/zinc/00/15/03/826001503.db2.gz DFMUFPJDSQRCCQ-LBPRGKRZSA-N 2 1 253.346 -0.282 20 0 CBADMP CC(=O)N[C@@H](CCCC[NH2+]C1CC[NH+](C)CC1)C(N)=O ZINC001256197188 826004025 /nfs/dbraw/zinc/00/40/25/826004025.db2.gz BEFQQQIXZWAKJB-ZDUSSCGKSA-N 2 1 284.404 -0.170 20 0 CBADMP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256682516 826030061 /nfs/dbraw/zinc/03/00/61/826030061.db2.gz KAZAZKIPVOKHED-HSBZDZAISA-N 3 1 299.415 -0.033 20 0 CBADMP OC[C@@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)C[C@H]1O ZINC001256690061 826030311 /nfs/dbraw/zinc/03/03/11/826030311.db2.gz FNFORCSPABLXTA-VXGQWTEUSA-N 2 1 284.400 -0.085 20 0 CBADMP CC[NH+](CC)CCC[C@H](C)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001258905750 826069111 /nfs/dbraw/zinc/06/91/11/826069111.db2.gz WPOGWTQBAHLFEX-CRWXNKLISA-N 2 1 284.452 -0.511 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)c1cnn(C)c1 ZINC001261500498 826526461 /nfs/dbraw/zinc/52/64/61/826526461.db2.gz UNDQYRGYWYCQEB-VXGBXAGGSA-N 2 1 265.361 -0.109 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1cnn(C)c1 ZINC001261500498 826526469 /nfs/dbraw/zinc/52/64/69/826526469.db2.gz UNDQYRGYWYCQEB-VXGBXAGGSA-N 2 1 265.361 -0.109 20 0 CBADMP CC(C)NC(=O)CN1CC[NH+](CCOCC[NH3+])CC1 ZINC001261502892 826528035 /nfs/dbraw/zinc/52/80/35/826528035.db2.gz CUVIWSKYKZSOBZ-UHFFFAOYSA-N 2 1 272.393 -0.896 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001261634100 826549474 /nfs/dbraw/zinc/54/94/74/826549474.db2.gz YIWXMPFWFPJWAB-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP 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 826552010 /nfs/dbraw/zinc/55/20/10/826552010.db2.gz MUBJCWIWJFJXID-CHXOHTFWSA-N 2 1 278.396 -0.117 20 0 CBADMP CNC(=O)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001261642564 826552767 /nfs/dbraw/zinc/55/27/67/826552767.db2.gz NCMKCMRACGXTIK-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP CNC(=O)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001261642564 826552769 /nfs/dbraw/zinc/55/27/69/826552769.db2.gz NCMKCMRACGXTIK-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP C(N[C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1COCC[NH2+]1 ZINC001261836717 826595209 /nfs/dbraw/zinc/59/52/09/826595209.db2.gz JVAHOQCDSYBCCZ-RFGFWPKPSA-N 2 1 269.389 -0.279 20 0 CBADMP COC(=O)c1cnc(C[N@H+](C)CCOCC[NH3+])cn1 ZINC001261836495 826595256 /nfs/dbraw/zinc/59/52/56/826595256.db2.gz DPXXXIVDVVHPKQ-UHFFFAOYSA-N 2 1 268.317 -0.330 20 0 CBADMP COC(=O)c1cnc(C[N@@H+](C)CCOCC[NH3+])cn1 ZINC001261836495 826595260 /nfs/dbraw/zinc/59/52/60/826595260.db2.gz DPXXXIVDVVHPKQ-UHFFFAOYSA-N 2 1 268.317 -0.330 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(O)(C[NH3+])CC2)C1 ZINC001262008712 826618115 /nfs/dbraw/zinc/61/81/15/826618115.db2.gz VYIINTPWWBORRO-NSHDSACASA-N 2 1 255.362 -0.360 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC001262201882 826660997 /nfs/dbraw/zinc/66/09/97/826660997.db2.gz IUKMWTCLYOBDHD-AXFHLTTASA-N 2 1 261.391 -0.768 20 0 CBADMP [NH3+]CCCNC(=O)NCCCCC[NH+]1CCNCC1 ZINC001262584298 826712255 /nfs/dbraw/zinc/71/22/55/826712255.db2.gz YHKAPEIIUODPSV-UHFFFAOYSA-N 2 1 271.409 -0.290 20 0 CBADMP [NH3+]CC[C@@H]1CCN(C(=O)NCC(F)(F)C[NH3+])C1 ZINC001262585522 826714125 /nfs/dbraw/zinc/71/41/25/826714125.db2.gz DXDXEMGDDQQQHC-MRVPVSSYSA-N 2 1 250.293 -0.039 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001262639032 826720491 /nfs/dbraw/zinc/72/04/91/826720491.db2.gz QHZKWFBVUQIFJL-OLZOCXBDSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001262639032 826720498 /nfs/dbraw/zinc/72/04/98/826720498.db2.gz QHZKWFBVUQIFJL-OLZOCXBDSA-N 2 1 267.373 -0.083 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1(C[NH3+])CC(O)C1 ZINC001263096643 826736453 /nfs/dbraw/zinc/73/64/53/826736453.db2.gz XKVJFFPSZGMWLE-LKSINWNRSA-N 2 1 269.389 -0.114 20 0 CBADMP C[NH2+]C1(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CCC1 ZINC001263100500 826736949 /nfs/dbraw/zinc/73/69/49/826736949.db2.gz PSRWNXSWLFSZRI-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H](CNC(=O)C[C@H](O)C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC001263095472 826737316 /nfs/dbraw/zinc/73/73/16/826737316.db2.gz MXOWNSDSXQCPFK-WOPDTQHZSA-N 2 1 257.378 -0.067 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001263103253 826738690 /nfs/dbraw/zinc/73/86/90/826738690.db2.gz UELMWRLHENTIAG-UKRRQHHQSA-N 2 1 298.431 -0.757 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC001263110339 826740192 /nfs/dbraw/zinc/74/01/92/826740192.db2.gz SZPRWLDQMKWIDH-YVECIDJPSA-N 2 1 266.389 -0.382 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC001263110338 826740646 /nfs/dbraw/zinc/74/06/46/826740646.db2.gz SZPRWLDQMKWIDH-MROQNXINSA-N 2 1 266.389 -0.382 20 0 CBADMP [NH3+]CCNCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001263153420 826745382 /nfs/dbraw/zinc/74/53/82/826745382.db2.gz LZDNTTOSIDFUSB-NWDGAFQWSA-N 2 1 254.378 -0.332 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC12CC(C1)C[NH2+]2 ZINC001263160896 826746694 /nfs/dbraw/zinc/74/66/94/826746694.db2.gz QGMAZTYLFBWJBR-KTEZZQQRSA-N 2 1 264.373 -0.757 20 0 CBADMP C[C@H]1Cn2nc(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2C[NH2+]1 ZINC001263175195 826749623 /nfs/dbraw/zinc/74/96/23/826749623.db2.gz VYFUPOCMGSSIIV-LPEHRKFASA-N 2 1 263.345 -0.158 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CCO ZINC001264380323 826806194 /nfs/dbraw/zinc/80/61/94/826806194.db2.gz HIPINWNTMUFZOR-GFCCVEGCSA-N 2 1 257.378 -0.148 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CCO ZINC001264380323 826806207 /nfs/dbraw/zinc/80/62/07/826806207.db2.gz HIPINWNTMUFZOR-GFCCVEGCSA-N 2 1 257.378 -0.148 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CCO ZINC001264380323 826806219 /nfs/dbraw/zinc/80/62/19/826806219.db2.gz HIPINWNTMUFZOR-GFCCVEGCSA-N 2 1 257.378 -0.148 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1CCO ZINC001264380323 826806230 /nfs/dbraw/zinc/80/62/30/826806230.db2.gz HIPINWNTMUFZOR-GFCCVEGCSA-N 2 1 257.378 -0.148 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1C[NH2+]CC12CC2 ZINC001263324625 826764109 /nfs/dbraw/zinc/76/41/09/826764109.db2.gz YLWPWGPTMDRMID-UTUOFQBUSA-N 2 1 264.373 -0.757 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001263746365 826774029 /nfs/dbraw/zinc/77/40/29/826774029.db2.gz KFTVVFLBJXOMEE-ZIAGYGMSSA-N 2 1 298.431 -0.541 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001263746365 826774033 /nfs/dbraw/zinc/77/40/33/826774033.db2.gz KFTVVFLBJXOMEE-ZIAGYGMSSA-N 2 1 298.431 -0.541 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001263746365 826774037 /nfs/dbraw/zinc/77/40/37/826774037.db2.gz KFTVVFLBJXOMEE-ZIAGYGMSSA-N 2 1 298.431 -0.541 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCOCCO)C2)C1 ZINC001264438997 826811200 /nfs/dbraw/zinc/81/12/00/826811200.db2.gz HVUGUXAWTWLAMD-IHRRRGAJSA-N 2 1 299.415 -0.569 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC(N)=O ZINC001265000698 826829705 /nfs/dbraw/zinc/82/97/05/826829705.db2.gz BFWPLKYWTRPTLQ-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)CC(N)=O ZINC001265000698 826829717 /nfs/dbraw/zinc/82/97/17/826829717.db2.gz BFWPLKYWTRPTLQ-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)CC(N)=O ZINC001265000698 826829727 /nfs/dbraw/zinc/82/97/27/826829727.db2.gz BFWPLKYWTRPTLQ-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC(N)=O ZINC001265000700 826832287 /nfs/dbraw/zinc/83/22/87/826832287.db2.gz BFWPLKYWTRPTLQ-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)CC(N)=O ZINC001265000700 826832300 /nfs/dbraw/zinc/83/23/00/826832300.db2.gz BFWPLKYWTRPTLQ-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)CC(N)=O ZINC001265000700 826832314 /nfs/dbraw/zinc/83/23/14/826832314.db2.gz BFWPLKYWTRPTLQ-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C1)[NH+](C)C ZINC001265312047 826879280 /nfs/dbraw/zinc/87/92/80/826879280.db2.gz GGPWXMSCGPJFCX-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001265318987 826882956 /nfs/dbraw/zinc/88/29/56/826882956.db2.gz GPESSXUWNXXOST-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@@H](C)O)C1 ZINC001265318987 826882963 /nfs/dbraw/zinc/88/29/63/826882963.db2.gz GPESSXUWNXXOST-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@@H](C)O)C1 ZINC001265318987 826882971 /nfs/dbraw/zinc/88/29/71/826882971.db2.gz GPESSXUWNXXOST-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001265452500 826893804 /nfs/dbraw/zinc/89/38/04/826893804.db2.gz JRRWQUCRCXXLPD-JTQLQIEISA-N 2 1 256.350 -0.996 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001265459789 826894890 /nfs/dbraw/zinc/89/48/90/826894890.db2.gz NEFNVQMDTKDJEP-ZDUSSCGKSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265532758 826901577 /nfs/dbraw/zinc/90/15/77/826901577.db2.gz FGAXBMNEDMDDNG-TUAOUCFPSA-N 2 1 271.361 -0.800 20 0 CBADMP COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265532758 826901582 /nfs/dbraw/zinc/90/15/82/826901582.db2.gz FGAXBMNEDMDDNG-TUAOUCFPSA-N 2 1 271.361 -0.800 20 0 CBADMP CCOCC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001265867337 826932014 /nfs/dbraw/zinc/93/20/14/826932014.db2.gz OFTGYCCAHMLZIW-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001265867337 826932020 /nfs/dbraw/zinc/93/20/20/826932020.db2.gz OFTGYCCAHMLZIW-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@H](C(=O)NCCC[N@@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001265871744 826932249 /nfs/dbraw/zinc/93/22/49/826932249.db2.gz FZJUFRBYVDATQO-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001265912099 826937132 /nfs/dbraw/zinc/93/71/32/826937132.db2.gz NRLUQCMMIYJIHE-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001265956494 826942389 /nfs/dbraw/zinc/94/23/89/826942389.db2.gz PDSUEBVYEBIPDV-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH+](C)C[C@@H](C)O)C1 ZINC001265975983 826944793 /nfs/dbraw/zinc/94/47/93/826944793.db2.gz JBBSYKZQZXIKHU-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH+](C)C[C@@H](C)O)C1 ZINC001265975983 826944791 /nfs/dbraw/zinc/94/47/91/826944791.db2.gz JBBSYKZQZXIKHU-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCCC[N@H+](C)C[C@@H](C)O)C1 ZINC001265975983 826944796 /nfs/dbraw/zinc/94/47/96/826944796.db2.gz JBBSYKZQZXIKHU-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCCC[N@@H+](C)C[C@@H](C)O)C1 ZINC001265975983 826944799 /nfs/dbraw/zinc/94/47/99/826944799.db2.gz JBBSYKZQZXIKHU-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC001266236793 826962341 /nfs/dbraw/zinc/96/23/41/826962341.db2.gz NQKCCYIZAUKDFH-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOCCO)C1 ZINC001266336857 826985186 /nfs/dbraw/zinc/98/51/86/826985186.db2.gz XMEIGJBVVJIOFT-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001266336857 826985189 /nfs/dbraw/zinc/98/51/89/826985189.db2.gz XMEIGJBVVJIOFT-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001266336857 826985193 /nfs/dbraw/zinc/98/51/93/826985193.db2.gz XMEIGJBVVJIOFT-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001266414513 826996623 /nfs/dbraw/zinc/99/66/23/826996623.db2.gz DIXKWKUNISJCEQ-CHWSQXEVSA-N 2 1 269.389 -0.053 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCO)C1CC1 ZINC001266414515 826997301 /nfs/dbraw/zinc/99/73/01/826997301.db2.gz DIXKWKUNISJCEQ-QWHCGFSZSA-N 2 1 269.389 -0.053 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)O)C1 ZINC001266640644 827038426 /nfs/dbraw/zinc/03/84/26/827038426.db2.gz XXDSAQKFOMVPLF-SRVKXCTJSA-N 2 1 257.378 -0.056 20 0 CBADMP COCCCC[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266666956 827043821 /nfs/dbraw/zinc/04/38/21/827043821.db2.gz KLBHQDOHOOCCIB-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP COCCCC[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266666956 827043830 /nfs/dbraw/zinc/04/38/30/827043830.db2.gz KLBHQDOHOOCCIB-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C2)C1 ZINC001266713210 827055962 /nfs/dbraw/zinc/05/59/62/827055962.db2.gz RRUVZPCLVOZARE-UPJWGTAASA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C2)C1 ZINC001266713209 827056226 /nfs/dbraw/zinc/05/62/26/827056226.db2.gz RRUVZPCLVOZARE-RWMBFGLXSA-N 2 1 269.389 -0.053 20 0 CBADMP CCn1ncc(C[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)n1 ZINC001267081587 827112735 /nfs/dbraw/zinc/11/27/35/827112735.db2.gz OPIYALWWPAGVMN-UHFFFAOYSA-N 2 1 294.403 -0.058 20 0 CBADMP CN(CC[NH2+]CCc1ccnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267072337 827112873 /nfs/dbraw/zinc/11/28/73/827112873.db2.gz XVGIVBVZWJYVDN-ZDUSSCGKSA-N 2 1 293.415 -0.038 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[N@H+](CC(N)=O)C(C)C ZINC001267295173 827145317 /nfs/dbraw/zinc/14/53/17/827145317.db2.gz QRMKXPYZJXKVRX-UHFFFAOYSA-N 2 1 295.387 -0.106 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[N@@H+](CC(N)=O)C(C)C ZINC001267295173 827145325 /nfs/dbraw/zinc/14/53/25/827145325.db2.gz QRMKXPYZJXKVRX-UHFFFAOYSA-N 2 1 295.387 -0.106 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC(=O)N(C)C ZINC001267379648 827161710 /nfs/dbraw/zinc/16/17/10/827161710.db2.gz BHWHEBQZMSLESX-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001267428936 827169698 /nfs/dbraw/zinc/16/96/98/827169698.db2.gz HHZXFWLZEGDKKB-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267439668 827171808 /nfs/dbraw/zinc/17/18/08/827171808.db2.gz QVZJLTPTJKUABH-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]C[C@H](C)OC)C1 ZINC001267471258 827175339 /nfs/dbraw/zinc/17/53/39/827175339.db2.gz ANUABFXUOOYLOY-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]C[C@H](C)OC)C1 ZINC001267471258 827175343 /nfs/dbraw/zinc/17/53/43/827175343.db2.gz ANUABFXUOOYLOY-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO ZINC001267713500 827205509 /nfs/dbraw/zinc/20/55/09/827205509.db2.gz JKKHRYCCZRRFRU-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001267713500 827205515 /nfs/dbraw/zinc/20/55/15/827205515.db2.gz JKKHRYCCZRRFRU-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001267713500 827205520 /nfs/dbraw/zinc/20/55/20/827205520.db2.gz JKKHRYCCZRRFRU-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)CCC1 ZINC001267726218 827208523 /nfs/dbraw/zinc/20/85/23/827208523.db2.gz WKVWFENBKJTTAM-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001267732250 827211054 /nfs/dbraw/zinc/21/10/54/827211054.db2.gz KLCWRMZDXDGTMS-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001267732250 827211063 /nfs/dbraw/zinc/21/10/63/827211063.db2.gz KLCWRMZDXDGTMS-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP COCCOCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001267734701 827211700 /nfs/dbraw/zinc/21/17/00/827211700.db2.gz VEBOHKYJTXOKMK-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001267775935 827219076 /nfs/dbraw/zinc/21/90/76/827219076.db2.gz AJGZQPRMTXOKNJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001267775935 827219087 /nfs/dbraw/zinc/21/90/87/827219087.db2.gz AJGZQPRMTXOKNJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CCC2CC2)C1 ZINC001268296319 827280932 /nfs/dbraw/zinc/28/09/32/827280932.db2.gz GOAUALWKQGZGGB-CHWSQXEVSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CCC2CC2)C1 ZINC001268296319 827280939 /nfs/dbraw/zinc/28/09/39/827280939.db2.gz GOAUALWKQGZGGB-CHWSQXEVSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCC2CC2)C1 ZINC001268333908 827307573 /nfs/dbraw/zinc/30/75/73/827307573.db2.gz ICAFCYGUWPINSD-UONOGXRCSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCC2CC2)C1 ZINC001268333908 827307583 /nfs/dbraw/zinc/30/75/83/827307583.db2.gz ICAFCYGUWPINSD-UONOGXRCSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268390734 827322091 /nfs/dbraw/zinc/32/20/91/827322091.db2.gz GFRMKCJVVGBZRL-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCN(CC[NH2+]C[C@@H](C)OC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268442339 827329774 /nfs/dbraw/zinc/32/97/74/827329774.db2.gz BIMVWCLUYKPUQZ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CCN(CC[NH2+]C[C@@H](C)OC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268442339 827329782 /nfs/dbraw/zinc/32/97/82/827329782.db2.gz BIMVWCLUYKPUQZ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@H]1CCCC[N@H+]1C ZINC001268461504 827335794 /nfs/dbraw/zinc/33/57/94/827335794.db2.gz LIARWBQXFNPKCO-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCN(CC[NH2+]CCO)C(=O)CC[NH+]1CCOCC1 ZINC001268490116 827342759 /nfs/dbraw/zinc/34/27/59/827342759.db2.gz WVHCYFBWPMLHLY-UHFFFAOYSA-N 2 1 273.377 -0.861 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268556503 827363365 /nfs/dbraw/zinc/36/33/65/827363365.db2.gz PNLXANMCTABWTA-AAAGKOELSA-N 2 1 296.415 -0.133 20 0 CBADMP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001268625277 827381812 /nfs/dbraw/zinc/38/18/12/827381812.db2.gz MEBOSDAOHXALJR-AGFGORMFSA-N 2 1 296.415 -0.323 20 0 CBADMP C[C@H](C[NH2+]CCCO)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268645528 827390109 /nfs/dbraw/zinc/39/01/09/827390109.db2.gz PGOGWTTUFJAKBD-IJLUTSLNSA-N 2 1 257.378 -0.197 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]CCOC)C1 ZINC001268674963 827400183 /nfs/dbraw/zinc/40/01/83/827400183.db2.gz PEGIQIFWBJZSQE-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]CCOC)C1 ZINC001268674963 827400189 /nfs/dbraw/zinc/40/01/89/827400189.db2.gz PEGIQIFWBJZSQE-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]CCn1cncn1 ZINC001268714965 827408914 /nfs/dbraw/zinc/40/89/14/827408914.db2.gz FLEBVUIXTVGIML-NSHDSACASA-N 2 1 291.359 -0.422 20 0 CBADMP CN(CCC[NH2+]CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001268800878 827423512 /nfs/dbraw/zinc/42/35/12/827423512.db2.gz AQFXKPCTDBNTRC-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CN(CCC[NH2+]CC(N)=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001268799300 827424082 /nfs/dbraw/zinc/42/40/82/827424082.db2.gz XJUUGUBQHTXUKV-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CN(CCC[NH2+]CC(N)=O)C(=O)c1cc(C[NH+](C)C)on1 ZINC001268802213 827424873 /nfs/dbraw/zinc/42/48/73/827424873.db2.gz QPOQKBMBMFESKX-UHFFFAOYSA-N 2 1 297.359 -0.727 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCCO)C1CC1 ZINC001269051231 827457143 /nfs/dbraw/zinc/45/71/43/827457143.db2.gz PKTFBBQSGKHXMS-QWHCGFSZSA-N 2 1 269.389 -0.053 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCF ZINC001269384219 827501933 /nfs/dbraw/zinc/50/19/33/827501933.db2.gz PPRQDSJXHVUNLI-QWRGUYRKSA-N 2 1 261.341 -0.229 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCF ZINC001269384219 827501939 /nfs/dbraw/zinc/50/19/39/827501939.db2.gz PPRQDSJXHVUNLI-QWRGUYRKSA-N 2 1 261.341 -0.229 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001269522872 827516157 /nfs/dbraw/zinc/51/61/57/827516157.db2.gz UJUIITYNTJVKHT-RYUDHWBXSA-N 2 1 269.389 -0.053 20 0 CBADMP C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001270672093 827588661 /nfs/dbraw/zinc/58/86/61/827588661.db2.gz HVBMROQBXBRGOF-ZDUSSCGKSA-N 2 1 280.416 -0.214 20 0 CBADMP COCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001271031794 827616021 /nfs/dbraw/zinc/61/60/21/827616021.db2.gz WCVQTLUHBQEDBA-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP C[C@H](C[NH2+]CCO)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001271100268 827622746 /nfs/dbraw/zinc/62/27/46/827622746.db2.gz GUJFDMFEXPQEBR-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@]2(CCCC(=O)N2)C1)[NH+](C)C ZINC001271148071 827629746 /nfs/dbraw/zinc/62/97/46/827629746.db2.gz SYBUHVBTWZYVOE-WFASDCNBSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@]2(CCCC(=O)N2)C1)[NH+](C)C ZINC001271148071 827629754 /nfs/dbraw/zinc/62/97/54/827629754.db2.gz SYBUHVBTWZYVOE-WFASDCNBSA-N 2 1 296.415 -0.251 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+]CCO ZINC001271208519 827676455 /nfs/dbraw/zinc/67/64/55/827676455.db2.gz RDXGGQIPJBPCKM-SNVBAGLBSA-N 2 1 254.334 -0.380 20 0 CBADMP CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001271221651 827678201 /nfs/dbraw/zinc/67/82/01/827678201.db2.gz YVTHBCQHAHQEJC-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001271221651 827678204 /nfs/dbraw/zinc/67/82/04/827678204.db2.gz YVTHBCQHAHQEJC-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001271221651 827678211 /nfs/dbraw/zinc/67/82/11/827678211.db2.gz YVTHBCQHAHQEJC-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C1(O)CC[NH+](C)CC1 ZINC001271801237 827727445 /nfs/dbraw/zinc/72/74/45/827727445.db2.gz GCONQMUBPIAUGX-RYUDHWBXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001272272906 827776883 /nfs/dbraw/zinc/77/68/83/827776883.db2.gz DUVPORUKDXTJFS-KCQAQPDRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001272272906 827776886 /nfs/dbraw/zinc/77/68/86/827776886.db2.gz DUVPORUKDXTJFS-KCQAQPDRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001272272906 827776891 /nfs/dbraw/zinc/77/68/91/827776891.db2.gz DUVPORUKDXTJFS-KCQAQPDRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001272272906 827776895 /nfs/dbraw/zinc/77/68/95/827776895.db2.gz DUVPORUKDXTJFS-KCQAQPDRSA-N 2 1 281.400 -0.004 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCCC2(C[NH+](C)C2)C1 ZINC001272555678 827819944 /nfs/dbraw/zinc/81/99/44/827819944.db2.gz QBFGJWTXKYRZGM-ZDUSSCGKSA-N 2 1 280.416 -0.214 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC001272556216 827820676 /nfs/dbraw/zinc/82/06/76/827820676.db2.gz YSYUVTOOKWEMJA-YNEHKIRRSA-N 2 1 266.389 -0.605 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001272556216 827820682 /nfs/dbraw/zinc/82/06/82/827820682.db2.gz YSYUVTOOKWEMJA-YNEHKIRRSA-N 2 1 266.389 -0.605 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001272556216 827820689 /nfs/dbraw/zinc/82/06/89/827820689.db2.gz YSYUVTOOKWEMJA-YNEHKIRRSA-N 2 1 266.389 -0.605 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCF ZINC001272582928 827823804 /nfs/dbraw/zinc/82/38/04/827823804.db2.gz DFXZIXKUVRUAJN-RYUDHWBXSA-N 2 1 275.368 -0.103 20 0 CBADMP C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](O)C1)CC2 ZINC001273070007 827860353 /nfs/dbraw/zinc/86/03/53/827860353.db2.gz PCMHNEFWQYVCPD-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC001273070007 827860364 /nfs/dbraw/zinc/86/03/64/827860364.db2.gz PCMHNEFWQYVCPD-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)CC2 ZINC001273070007 827860379 /nfs/dbraw/zinc/86/03/79/827860379.db2.gz PCMHNEFWQYVCPD-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP C[C@H](CC[NH2+]C[C@H](C)O)NC(=O)CC[NH+]1CCOCC1 ZINC001273075911 827860883 /nfs/dbraw/zinc/86/08/83/827860883.db2.gz MVRBBOFDMWSQBW-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](O)C1)C2 ZINC001273069599 827860929 /nfs/dbraw/zinc/86/09/29/827860929.db2.gz LEWGVWKRKMEWGE-ZFWWWQNUSA-N 2 1 281.400 -0.003 20 0 CBADMP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](O)C1)C2 ZINC001273069599 827860934 /nfs/dbraw/zinc/86/09/34/827860934.db2.gz LEWGVWKRKMEWGE-ZFWWWQNUSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001273069599 827860937 /nfs/dbraw/zinc/86/09/37/827860937.db2.gz LEWGVWKRKMEWGE-ZFWWWQNUSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001273069599 827860941 /nfs/dbraw/zinc/86/09/41/827860941.db2.gz LEWGVWKRKMEWGE-ZFWWWQNUSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CC2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001273069640 827861891 /nfs/dbraw/zinc/86/18/91/827861891.db2.gz LUNIJGLNZGSAGM-LBPRGKRZSA-N 2 1 267.373 -0.393 20 0 CBADMP C[NH+]1CC2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001273069640 827861902 /nfs/dbraw/zinc/86/19/02/827861902.db2.gz LUNIJGLNZGSAGM-LBPRGKRZSA-N 2 1 267.373 -0.393 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CC[NH2+]CC(=O)N(C)C ZINC001273184538 827871816 /nfs/dbraw/zinc/87/18/16/827871816.db2.gz RRCCCQLESKZAKT-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCF)C1 ZINC001273300579 827886970 /nfs/dbraw/zinc/88/69/70/827886970.db2.gz LTNZUKMSXBSREZ-NWDGAFQWSA-N 2 1 273.352 -0.133 20 0 CBADMP COCCC[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273475759 827903348 /nfs/dbraw/zinc/90/33/48/827903348.db2.gz ZAINMVYYCCCWBK-OAHLLOKOSA-N 2 1 299.415 -0.112 20 0 CBADMP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)[C@H]1CCC[N@H+]1C ZINC001273546738 827910693 /nfs/dbraw/zinc/91/06/93/827910693.db2.gz SGBMCIAAMDGONK-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274047655 827955892 /nfs/dbraw/zinc/95/58/92/827955892.db2.gz SBIOOAFNASIYJC-TZMCWYRMSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC(N)=O ZINC001274062513 827963641 /nfs/dbraw/zinc/96/36/41/827963641.db2.gz RVVGDMZPTCUDDK-AWEZNQCLSA-N 2 1 282.388 -0.510 20 0 CBADMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC(N)=O ZINC001274062513 827963647 /nfs/dbraw/zinc/96/36/47/827963647.db2.gz RVVGDMZPTCUDDK-AWEZNQCLSA-N 2 1 282.388 -0.510 20 0 CBADMP C[C@H](CO)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274069016 827965281 /nfs/dbraw/zinc/96/52/81/827965281.db2.gz RSRXMHZBENVSKX-ZFWWWQNUSA-N 2 1 299.415 -0.520 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274073498 827966362 /nfs/dbraw/zinc/96/63/62/827966362.db2.gz NYQZKIBIRBSPAY-CQSZACIVSA-N 2 1 282.388 -0.782 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCNC1=O ZINC001274133954 827968755 /nfs/dbraw/zinc/96/87/55/827968755.db2.gz OTUNCRZDQAQMMD-RSNNXLNZSA-N 2 1 294.399 -0.379 20 0 CBADMP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001274262828 827979320 /nfs/dbraw/zinc/97/93/20/827979320.db2.gz IQVZDDNPBFUQSR-YIZUVKHSSA-N 2 1 268.361 -0.784 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CCCO)C1 ZINC001274579171 828004157 /nfs/dbraw/zinc/00/41/57/828004157.db2.gz RIUITQDCPPVVOR-JDGPPOGSSA-N 2 1 255.362 -0.418 20 0 CBADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](CC(C)(C)O)C2)OCC1=O ZINC001274593190 828007032 /nfs/dbraw/zinc/00/70/32/828007032.db2.gz JVYYIBQHURBEDE-OAHLLOKOSA-N 2 1 299.415 -0.378 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)C[N@@H+](C)C(C)C ZINC001274608129 828007742 /nfs/dbraw/zinc/00/77/42/828007742.db2.gz DMVIIVGYOHMOQS-DGMVEKRQSA-N 2 1 284.404 -0.277 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001274607933 828010183 /nfs/dbraw/zinc/01/01/83/828010183.db2.gz BIGUWVASETYXHR-ROUHBEFFSA-N 2 1 282.388 -0.394 20 0 CBADMP CNC(=O)C[NH2+]C/C=C/CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001274609300 828012209 /nfs/dbraw/zinc/01/22/09/828012209.db2.gz JYUSMTFFKOYUGJ-GHEOONOUSA-N 2 1 296.415 -0.133 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]C[C@H](C)O ZINC001274611865 828012466 /nfs/dbraw/zinc/01/24/66/828012466.db2.gz XCNRJWUTTSXNRD-FJOGCWAESA-N 2 1 257.378 -0.031 20 0 CBADMP CCOC(=O)CC[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001274932761 828043189 /nfs/dbraw/zinc/04/31/89/828043189.db2.gz CTHJCHCNNUIXKM-OKILXGFUSA-N 2 1 299.415 -0.114 20 0 CBADMP CCOC(=O)CC[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001274932761 828043197 /nfs/dbraw/zinc/04/31/97/828043197.db2.gz CTHJCHCNNUIXKM-OKILXGFUSA-N 2 1 299.415 -0.114 20 0 CBADMP CCOC(=O)CC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001274933900 828044212 /nfs/dbraw/zinc/04/42/12/828044212.db2.gz OGJSMLIOHHLRTL-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001274981858 828046441 /nfs/dbraw/zinc/04/64/41/828046441.db2.gz XTDWGOXOWSFLGZ-OLZOCXBDSA-N 2 1 257.378 -0.421 20 0 CBADMP CN(C)C(=O)C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C)CC3)[C@H]2C1 ZINC001275045874 828052866 /nfs/dbraw/zinc/05/28/66/828052866.db2.gz TVZHXHIFJBKLET-RYUDHWBXSA-N 2 1 294.399 -0.783 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H](C1)O2 ZINC001275172788 828062512 /nfs/dbraw/zinc/06/25/12/828062512.db2.gz VRCBHELQPWJXOO-SOUVJXGZSA-N 2 1 283.416 -0.031 20 0 CBADMP COC(=O)CCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001275158309 828063018 /nfs/dbraw/zinc/06/30/18/828063018.db2.gz BNOTVMVXALFHHC-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2C[N@@H+](C[C@H]3CCC(=O)N3)C[C@H](C1)O2 ZINC001275188986 828064264 /nfs/dbraw/zinc/06/42/64/828064264.db2.gz RVWRNAZFULFQON-MCIONIFRSA-N 2 1 296.415 -0.788 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](C[C@H]3CCC(=O)N3)C[C@H](C1)O2 ZINC001275188986 828064270 /nfs/dbraw/zinc/06/42/70/828064270.db2.gz RVWRNAZFULFQON-MCIONIFRSA-N 2 1 296.415 -0.788 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001275199326 828066819 /nfs/dbraw/zinc/06/68/19/828066819.db2.gz JYXKECMWJFDRNF-VXGBXAGGSA-N 2 1 294.399 -0.783 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001275199326 828066830 /nfs/dbraw/zinc/06/68/30/828066830.db2.gz JYXKECMWJFDRNF-VXGBXAGGSA-N 2 1 294.399 -0.783 20 0 CBADMP C[C@@H](C[NH2+]CCF)NC(=O)CC[NH+]1CCOCC1 ZINC001275368965 828081417 /nfs/dbraw/zinc/08/14/17/828081417.db2.gz JULVAPYNTZJUGQ-NSHDSACASA-N 2 1 261.341 -0.228 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)CC(N)=O ZINC001275969389 828126517 /nfs/dbraw/zinc/12/65/17/828126517.db2.gz CAISLQZINQDRGA-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001275969389 828126518 /nfs/dbraw/zinc/12/65/18/828126518.db2.gz CAISLQZINQDRGA-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001275969389 828126521 /nfs/dbraw/zinc/12/65/21/828126521.db2.gz CAISLQZINQDRGA-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)CC(N)=O ZINC001275969389 828126523 /nfs/dbraw/zinc/12/65/23/828126523.db2.gz CAISLQZINQDRGA-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)CC(N)=O ZINC001275969389 828126525 /nfs/dbraw/zinc/12/65/25/828126525.db2.gz CAISLQZINQDRGA-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001275697840 828108963 /nfs/dbraw/zinc/10/89/63/828108963.db2.gz NAURXHHHAMMHAQ-ZJUUUORDSA-N 2 1 258.366 -0.752 20 0 CBADMP CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001275697840 828108964 /nfs/dbraw/zinc/10/89/64/828108964.db2.gz NAURXHHHAMMHAQ-ZJUUUORDSA-N 2 1 258.366 -0.752 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CCCO ZINC001275793853 828115548 /nfs/dbraw/zinc/11/55/48/828115548.db2.gz WFPIITALIVBKSO-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CCCO ZINC001275793853 828115550 /nfs/dbraw/zinc/11/55/50/828115550.db2.gz WFPIITALIVBKSO-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CCCO ZINC001275793853 828115555 /nfs/dbraw/zinc/11/55/55/828115555.db2.gz WFPIITALIVBKSO-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CN(CCC[NH2+]Cc1nncn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001275914754 828123181 /nfs/dbraw/zinc/12/31/81/828123181.db2.gz CLSJESXKCQVSCS-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CN(CCC[NH2+]C[C@H]1CCOC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001275930773 828124231 /nfs/dbraw/zinc/12/42/31/828124231.db2.gz QUPLXDJSTPIMLR-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CCC[NH2+]C[C@H]1CCOC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001275930773 828124236 /nfs/dbraw/zinc/12/42/36/828124236.db2.gz QUPLXDJSTPIMLR-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](CC3(C)COC3)C[C@H](C1)O2 ZINC001276422290 828145111 /nfs/dbraw/zinc/14/51/11/828145111.db2.gz UFBZRISPIJLHRQ-OKILXGFUSA-N 2 1 283.416 -0.031 20 0 CBADMP COC(=O)[C@@H](C)C[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001276521572 828148397 /nfs/dbraw/zinc/14/83/97/828148397.db2.gz DCCQZAYGTFAXLR-MELADBBJSA-N 2 1 299.415 -0.258 20 0 CBADMP O=C(N[C@@H](C[NH2+]CCO)C1CC1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001276602603 828152241 /nfs/dbraw/zinc/15/22/41/828152241.db2.gz BFZIIRINECIURS-UTUOFQBUSA-N 2 1 278.356 -0.010 20 0 CBADMP COC(C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1)OC ZINC001276642547 828154148 /nfs/dbraw/zinc/15/41/48/828154148.db2.gz IXAAXVVRHGJVNF-STQMWFEESA-N 2 1 287.404 -0.448 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2C[N@@H+](C[C@@H]3COCCO3)C[C@H](C1)O2 ZINC001277526560 828192479 /nfs/dbraw/zinc/19/24/79/828192479.db2.gz IBFLYOHXGYAHOC-QLFBSQMISA-N 2 1 299.415 -0.652 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](C[C@@H]3COCCO3)C[C@H](C1)O2 ZINC001277526560 828192483 /nfs/dbraw/zinc/19/24/83/828192483.db2.gz IBFLYOHXGYAHOC-QLFBSQMISA-N 2 1 299.415 -0.652 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1COCCO1)C2 ZINC001277526372 828193343 /nfs/dbraw/zinc/19/33/43/828193343.db2.gz CGRYZHMRFIOPEM-ILXRZTDVSA-N 2 1 283.416 -0.031 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](C[C@@H]3COCCO3)C[C@H]21 ZINC001277527153 828194416 /nfs/dbraw/zinc/19/44/16/828194416.db2.gz WBUHENMGRHJSPF-KFWWJZLASA-N 2 1 299.415 -0.652 20 0 CBADMP Cn1nncc1C[N@@H+]1C[C@@H]2C[C@H]1CN(CC[NH+](C)C)C2 ZINC001277602474 828197682 /nfs/dbraw/zinc/19/76/82/828197682.db2.gz PCXKVSLJDBLRDG-OLZOCXBDSA-N 2 1 278.404 -0.117 20 0 CBADMP Cn1nncc1C[N@H+]1C[C@@H]2C[C@H]1CN(CC[NH+](C)C)C2 ZINC001277602474 828197683 /nfs/dbraw/zinc/19/76/83/828197683.db2.gz PCXKVSLJDBLRDG-OLZOCXBDSA-N 2 1 278.404 -0.117 20 0 CBADMP NC(=O)[C@@H]1CCn2nccc2C[N@@H+]1CC1CC[NH2+]CC1 ZINC001277822506 828212041 /nfs/dbraw/zinc/21/20/41/828212041.db2.gz UTSYCNMRRNPWLV-ZDUSSCGKSA-N 2 1 277.372 -0.058 20 0 CBADMP NC(=O)[C@@H]1CCn2nccc2C[N@H+]1CC1CC[NH2+]CC1 ZINC001277822506 828212047 /nfs/dbraw/zinc/21/20/47/828212047.db2.gz UTSYCNMRRNPWLV-ZDUSSCGKSA-N 2 1 277.372 -0.058 20 0 CBADMP COC(=O)C[N@@H+]1C[C@@H]2CC[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001277821852 828212422 /nfs/dbraw/zinc/21/24/22/828212422.db2.gz PYDZHHVQHYKAPJ-BETUJISGSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)C[NH+]1C[C@@H]2CC[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001277821852 828212425 /nfs/dbraw/zinc/21/24/25/828212425.db2.gz PYDZHHVQHYKAPJ-BETUJISGSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)C[NH+]1C[C@@H]2CC[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001277821852 828212427 /nfs/dbraw/zinc/21/24/27/828212427.db2.gz PYDZHHVQHYKAPJ-BETUJISGSA-N 2 1 297.399 -0.109 20 0 CBADMP CC(=O)NCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277909369 828218375 /nfs/dbraw/zinc/21/83/75/828218375.db2.gz BZASEILXXHOPRW-OKILXGFUSA-N 2 1 284.404 -0.931 20 0 CBADMP CC(=O)NCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277909369 828218379 /nfs/dbraw/zinc/21/83/79/828218379.db2.gz BZASEILXXHOPRW-OKILXGFUSA-N 2 1 284.404 -0.931 20 0 CBADMP CC(=O)NCC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277910705 828218418 /nfs/dbraw/zinc/21/84/18/828218418.db2.gz UUCAZXWFXVINCR-KBPBESRZSA-N 2 1 284.404 -0.931 20 0 CBADMP CC(=O)NCC[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277910705 828218425 /nfs/dbraw/zinc/21/84/25/828218425.db2.gz UUCAZXWFXVINCR-KBPBESRZSA-N 2 1 284.404 -0.931 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2C[NH+](CC(N)=O)C[C@H]2CC1 ZINC001277981951 828226815 /nfs/dbraw/zinc/22/68/15/828226815.db2.gz QQNQKADCKLULRE-TXEJJXNPSA-N 2 1 282.388 -0.796 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2CC1 ZINC001277981951 828226821 /nfs/dbraw/zinc/22/68/21/828226821.db2.gz QQNQKADCKLULRE-TXEJJXNPSA-N 2 1 282.388 -0.796 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1 ZINC001277981951 828226827 /nfs/dbraw/zinc/22/68/27/828226827.db2.gz QQNQKADCKLULRE-TXEJJXNPSA-N 2 1 282.388 -0.796 20 0 CBADMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001277981974 828227219 /nfs/dbraw/zinc/22/72/19/828227219.db2.gz RCYAXFVHUKDTKP-UHFFFAOYSA-N 2 1 285.388 -0.120 20 0 CBADMP COCCOC[N@H+]1CCC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001277981974 828227226 /nfs/dbraw/zinc/22/72/26/828227226.db2.gz RCYAXFVHUKDTKP-UHFFFAOYSA-N 2 1 285.388 -0.120 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001278012722 828230373 /nfs/dbraw/zinc/23/03/73/828230373.db2.gz GIPQRJZWBOOBGJ-HNNXBMFYSA-N 2 1 298.431 -0.539 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001278012722 828230378 /nfs/dbraw/zinc/23/03/78/828230378.db2.gz GIPQRJZWBOOBGJ-HNNXBMFYSA-N 2 1 298.431 -0.539 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001278032553 828232764 /nfs/dbraw/zinc/23/27/64/828232764.db2.gz SGAKMAWHEBVQRU-RWMBFGLXSA-N 2 1 268.405 -0.182 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)N1CC[NH+](C)CC1 ZINC001278273401 828262448 /nfs/dbraw/zinc/26/24/48/828262448.db2.gz WQWJVGOTUBWWSU-OKILXGFUSA-N 2 1 295.431 -0.326 20 0 CBADMP COCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001278302560 828263810 /nfs/dbraw/zinc/26/38/10/828263810.db2.gz ZXRIGJNMJWPRLO-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCCO)C(C)(C)C2)C1 ZINC001278630741 828274920 /nfs/dbraw/zinc/27/49/20/828274920.db2.gz NNNVQIIBWSHUSN-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCCO)C(C)(C)C2)C1 ZINC001278630741 828274923 /nfs/dbraw/zinc/27/49/23/828274923.db2.gz NNNVQIIBWSHUSN-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278765911 828283581 /nfs/dbraw/zinc/28/35/81/828283581.db2.gz FDMNTAQUILBHOB-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001278765911 828283584 /nfs/dbraw/zinc/28/35/84/828283584.db2.gz FDMNTAQUILBHOB-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001278765911 828283591 /nfs/dbraw/zinc/28/35/91/828283591.db2.gz FDMNTAQUILBHOB-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278765910 828283981 /nfs/dbraw/zinc/28/39/81/828283981.db2.gz FDMNTAQUILBHOB-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001278765910 828283984 /nfs/dbraw/zinc/28/39/84/828283984.db2.gz FDMNTAQUILBHOB-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001278765910 828283986 /nfs/dbraw/zinc/28/39/86/828283986.db2.gz FDMNTAQUILBHOB-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001279509660 828328706 /nfs/dbraw/zinc/32/87/06/828328706.db2.gz LYGAPEHXPJKBIP-CYBMUJFWSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](CC)CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001348416452 890622503 /nfs/dbraw/zinc/62/25/03/890622503.db2.gz XFBRWBVGMLNGHX-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC001349608764 890849356 /nfs/dbraw/zinc/84/93/56/890849356.db2.gz UNEARBYKIHGRLB-UHFFFAOYSA-N 2 1 281.360 -0.637 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC001349808790 890895901 /nfs/dbraw/zinc/89/59/01/890895901.db2.gz QWKDZUBNCLGSSR-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001188146175 884719994 /nfs/dbraw/zinc/71/99/94/884719994.db2.gz XJXYHJXABQGYRL-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001211369058 884771491 /nfs/dbraw/zinc/77/14/91/884771491.db2.gz ATISKSUWSCZAMC-GHMZBOCLSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC001326369131 885008010 /nfs/dbraw/zinc/00/80/10/885008010.db2.gz CHGVMGFAQRENEH-STQMWFEESA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@H](Cc1[nH]cc[nH+]1)OCC(=O)N1CC[NH2+]CC1 ZINC001326805513 885157175 /nfs/dbraw/zinc/15/71/75/885157175.db2.gz JMVXRMVZJOCIRF-SNVBAGLBSA-N 2 1 252.318 -0.211 20 0 CBADMP C[NH2+][C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC001327059345 885238925 /nfs/dbraw/zinc/23/89/25/885238925.db2.gz JVPSIBNFPGKAHZ-JQWIXIFHSA-N 2 1 265.361 -0.204 20 0 CBADMP COC[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327151712 885271654 /nfs/dbraw/zinc/27/16/54/885271654.db2.gz UFAHCLHZAXJNTI-CHWSQXEVSA-N 2 1 258.362 -0.163 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001328370226 885659651 /nfs/dbraw/zinc/65/96/51/885659651.db2.gz MHKDWSNWPTUKCJ-SDDRHHMPSA-N 2 1 282.388 -0.737 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[NH3+])CC1 ZINC001328593533 885739148 /nfs/dbraw/zinc/73/91/48/885739148.db2.gz KUNVGLSHTZPMIU-UHFFFAOYSA-N 2 1 256.350 -0.948 20 0 CBADMP CN(CC(=O)N1CCNCC1)C1(C(N)=O)CCCC1 ZINC001329499961 886096801 /nfs/dbraw/zinc/09/68/01/886096801.db2.gz XLHPGSKNIAYMIA-UHFFFAOYSA-N 2 1 268.361 -0.852 20 0 CBADMP O=C1C[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CN1 ZINC001329942062 886290186 /nfs/dbraw/zinc/29/01/86/886290186.db2.gz VLRWMMSQXBEWPM-WCQYABFASA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001330859503 886597043 /nfs/dbraw/zinc/59/70/43/886597043.db2.gz GNESQYYDPRDDRK-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001331707958 886924926 /nfs/dbraw/zinc/92/49/26/886924926.db2.gz PCRRTRQZEPRAEY-UWVGGRQHSA-N 2 1 251.334 -0.370 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001331967769 887069179 /nfs/dbraw/zinc/06/91/79/887069179.db2.gz CCEZVRLFAITONJ-SDDRHHMPSA-N 2 1 255.362 -0.097 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H](O)Cn1cccn1 ZINC001332335304 887210492 /nfs/dbraw/zinc/21/04/92/887210492.db2.gz TYAIZKJCTHHFNM-ZDUSSCGKSA-N 2 1 267.377 -0.919 20 0 CBADMP O=C(C[N@@H+]1C2CCC1(CO)CC2)N1CC[NH2+]CC1 ZINC001332456109 887291259 /nfs/dbraw/zinc/29/12/59/887291259.db2.gz MFWQZQANSWNQTR-UHFFFAOYSA-N 2 1 253.346 -0.593 20 0 CBADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)CO)CC2)C1 ZINC001332685590 887402977 /nfs/dbraw/zinc/40/29/77/887402977.db2.gz UUVPDXDKEHNLCD-OLZOCXBDSA-N 2 1 257.378 -0.949 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)CO)CC2)C1 ZINC001332685590 887402981 /nfs/dbraw/zinc/40/29/81/887402981.db2.gz UUVPDXDKEHNLCD-OLZOCXBDSA-N 2 1 257.378 -0.949 20 0 CBADMP CN1CCN(C[C@@H](O)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC001333656320 887737260 /nfs/dbraw/zinc/73/72/60/887737260.db2.gz OCJBIZYHUQMCDR-ZNMIVQPWSA-N 2 1 284.448 -0.476 20 0 CBADMP COC[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001334339166 887928146 /nfs/dbraw/zinc/92/81/46/887928146.db2.gz VCZDQALRPMXXBI-VXGBXAGGSA-N 2 1 256.346 -0.288 20 0 CBADMP COC[C@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001334339166 887928153 /nfs/dbraw/zinc/92/81/53/887928153.db2.gz VCZDQALRPMXXBI-VXGBXAGGSA-N 2 1 256.346 -0.288 20 0 CBADMP CS(=O)(=O)N1CC(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC001334551338 888263361 /nfs/dbraw/zinc/26/33/61/888263361.db2.gz JFZKHGNRVUNVDF-GHMZBOCLSA-N 2 1 259.375 -0.971 20 0 CBADMP C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)C2(O)CCOCC2)C1 ZINC001336732945 888861193 /nfs/dbraw/zinc/86/11/93/888861193.db2.gz ISAQWCGLYORIFS-NEPJUHHUSA-N 2 1 258.362 -0.570 20 0 CBADMP [NH3+]C1(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001338518345 889170854 /nfs/dbraw/zinc/17/08/54/889170854.db2.gz ALBWGHXTLKSANK-WDEREUQCSA-N 2 1 268.361 -0.360 20 0 CBADMP [NH3+]CC1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC(O)C1 ZINC001340044258 889369863 /nfs/dbraw/zinc/36/98/63/889369863.db2.gz ISSFAEBOHDTKTJ-BEVNXUHPSA-N 2 1 267.373 -0.171 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001340127725 889390753 /nfs/dbraw/zinc/39/07/53/889390753.db2.gz HDPZCQZDWIUIEU-RKDXNWHRSA-N 2 1 251.334 -0.158 20 0 CBADMP C[C@H]1Cn2nc(C(=O)NCC3([NH3+])CCC3)cc2C[NH2+]1 ZINC001340267361 889417570 /nfs/dbraw/zinc/41/75/70/889417570.db2.gz SLDLQCPGDCALCY-VIFPVBQESA-N 2 1 263.345 -0.014 20 0 CBADMP O=C([C@@H]1CSC[NH2+]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340727213 889472724 /nfs/dbraw/zinc/47/27/24/889472724.db2.gz MHHNOYKEGJOOKY-ZJUUUORDSA-N 2 1 259.375 -0.778 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001341115469 889545647 /nfs/dbraw/zinc/54/56/47/889545647.db2.gz GKEZHPYKWJSMDA-AAEUAGOBSA-N 2 1 255.362 -0.217 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001341627073 889633695 /nfs/dbraw/zinc/63/36/95/889633695.db2.gz LJJBVBDILXGSSD-CHWSQXEVSA-N 2 1 268.405 -0.275 20 0 CBADMP C[C@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC[NH2+]1 ZINC001341764573 889661416 /nfs/dbraw/zinc/66/14/16/889661416.db2.gz INEOSWXDIPMXHN-SDDRHHMPSA-N 2 1 252.362 -0.805 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@@H](CO)C1 ZINC001342034245 889702179 /nfs/dbraw/zinc/70/21/79/889702179.db2.gz HPESECKRTIPPCN-MDZLAQPJSA-N 2 1 253.346 -0.879 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001443810833 912281338 /nfs/dbraw/zinc/28/13/38/912281338.db2.gz GAUUZAGZEKJVFR-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001443810833 912281352 /nfs/dbraw/zinc/28/13/52/912281352.db2.gz GAUUZAGZEKJVFR-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CC[NH+](C)C ZINC001443771188 912275025 /nfs/dbraw/zinc/27/50/25/912275025.db2.gz WWAIVSIAOVFNQE-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001443825877 912283326 /nfs/dbraw/zinc/28/33/26/912283326.db2.gz VXUMLSGZGPAUKG-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001443825877 912283344 /nfs/dbraw/zinc/28/33/44/912283344.db2.gz VXUMLSGZGPAUKG-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001443834743 912283564 /nfs/dbraw/zinc/28/35/64/912283564.db2.gz AJUWDGFGFDPEQV-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001443834743 912283574 /nfs/dbraw/zinc/28/35/74/912283574.db2.gz AJUWDGFGFDPEQV-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001443834743 912283589 /nfs/dbraw/zinc/28/35/89/912283589.db2.gz AJUWDGFGFDPEQV-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001443834743 912283603 /nfs/dbraw/zinc/28/36/03/912283603.db2.gz AJUWDGFGFDPEQV-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001443836694 912284450 /nfs/dbraw/zinc/28/44/50/912284450.db2.gz VUMQUFUNARLTFV-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001443836694 912284464 /nfs/dbraw/zinc/28/44/64/912284464.db2.gz VUMQUFUNARLTFV-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001443836694 912284482 /nfs/dbraw/zinc/28/44/82/912284482.db2.gz VUMQUFUNARLTFV-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001443836694 912284503 /nfs/dbraw/zinc/28/45/03/912284503.db2.gz VUMQUFUNARLTFV-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001443836702 912286033 /nfs/dbraw/zinc/28/60/33/912286033.db2.gz VUMQUFUNARLTFV-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001443836702 912286044 /nfs/dbraw/zinc/28/60/44/912286044.db2.gz VUMQUFUNARLTFV-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001443836702 912286061 /nfs/dbraw/zinc/28/60/61/912286061.db2.gz VUMQUFUNARLTFV-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001443836702 912286076 /nfs/dbraw/zinc/28/60/76/912286076.db2.gz VUMQUFUNARLTFV-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001443853624 912294210 /nfs/dbraw/zinc/29/42/10/912294210.db2.gz XXWOSQGNUKRWHH-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001443853624 912294223 /nfs/dbraw/zinc/29/42/23/912294223.db2.gz XXWOSQGNUKRWHH-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001443853624 912294239 /nfs/dbraw/zinc/29/42/39/912294239.db2.gz XXWOSQGNUKRWHH-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001443853624 912294254 /nfs/dbraw/zinc/29/42/54/912294254.db2.gz XXWOSQGNUKRWHH-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001342350080 889759670 /nfs/dbraw/zinc/75/96/70/889759670.db2.gz RDRLGEMOVAZGLT-GFQSEFKGSA-N 2 1 267.373 -0.206 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]C[C@@H]2CO)C1 ZINC001342441116 889776002 /nfs/dbraw/zinc/77/60/02/889776002.db2.gz ULXAIZSMKUBBIA-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1nnnn1C ZINC001444032338 912329271 /nfs/dbraw/zinc/32/92/71/912329271.db2.gz JHESHYMGBXVAEV-LLVKDONJSA-N 2 1 297.407 -0.465 20 0 CBADMP CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]Cc1nnnn1C ZINC001444032338 912329292 /nfs/dbraw/zinc/32/92/92/912329292.db2.gz JHESHYMGBXVAEV-LLVKDONJSA-N 2 1 297.407 -0.465 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001342696027 889818903 /nfs/dbraw/zinc/81/89/03/889818903.db2.gz LFZABOOUMGOPJR-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001343025833 889858295 /nfs/dbraw/zinc/85/82/95/889858295.db2.gz NXWHQQNPDAKFHP-NXEZZACHSA-N 2 1 265.317 -0.711 20 0 CBADMP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001444249325 912399470 /nfs/dbraw/zinc/39/94/70/912399470.db2.gz ZNSIKIUZHNTMTD-QJPTWQEYSA-N 2 1 282.388 -0.465 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001444315351 912423066 /nfs/dbraw/zinc/42/30/66/912423066.db2.gz YOTRBHCQCVTHJM-RWMBFGLXSA-N 2 1 298.431 -0.195 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001444362607 912434879 /nfs/dbraw/zinc/43/48/79/912434879.db2.gz MESVIEOYCPAJEH-JQWIXIFHSA-N 2 1 295.387 -0.332 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1ncnn1C ZINC001444427327 912447584 /nfs/dbraw/zinc/44/75/84/912447584.db2.gz AYRVVSNBNZPTJH-GFCCVEGCSA-N 2 1 296.419 -0.003 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001344449971 890027388 /nfs/dbraw/zinc/02/73/88/890027388.db2.gz UNRSFHSZWNAZGM-HAQNSBGRSA-N 2 1 255.362 -0.456 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001444602117 912477659 /nfs/dbraw/zinc/47/76/59/912477659.db2.gz ZPYDSBPFUYDYQK-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC001345186365 890111473 /nfs/dbraw/zinc/11/14/73/890111473.db2.gz NUALURXEJTWZJT-MNOVXSKESA-N 2 1 284.404 -0.301 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001444873930 912513946 /nfs/dbraw/zinc/51/39/46/912513946.db2.gz OVLYJGZKQZKOIN-CYBMUJFWSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001444996217 912538966 /nfs/dbraw/zinc/53/89/66/912538966.db2.gz UJTLBXIKZKNDGP-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001444996217 912538979 /nfs/dbraw/zinc/53/89/79/912538979.db2.gz UJTLBXIKZKNDGP-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001445060489 912552524 /nfs/dbraw/zinc/55/25/24/912552524.db2.gz CADKCBLVODNMSK-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001445060489 912552546 /nfs/dbraw/zinc/55/25/46/912552546.db2.gz CADKCBLVODNMSK-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445060489 912552565 /nfs/dbraw/zinc/55/25/65/912552565.db2.gz CADKCBLVODNMSK-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001445060489 912552582 /nfs/dbraw/zinc/55/25/82/912552582.db2.gz CADKCBLVODNMSK-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)[C@H]1CCNC1=O ZINC001445066587 912552886 /nfs/dbraw/zinc/55/28/86/912552886.db2.gz SGOWWDFJMTWSCF-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)[C@H]1CCNC1=O ZINC001445066587 912552898 /nfs/dbraw/zinc/55/28/98/912552898.db2.gz SGOWWDFJMTWSCF-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O ZINC001445066587 912552911 /nfs/dbraw/zinc/55/29/11/912552911.db2.gz SGOWWDFJMTWSCF-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O ZINC001445066587 912552921 /nfs/dbraw/zinc/55/29/21/912552921.db2.gz SGOWWDFJMTWSCF-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@H](CCC[NH3+])NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC001346056986 890206505 /nfs/dbraw/zinc/20/65/05/890206505.db2.gz XHWIVSBTCZXXPA-NEPJUHHUSA-N 2 1 256.394 -0.134 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCCC2)C1 ZINC001445149757 912581176 /nfs/dbraw/zinc/58/11/76/912581176.db2.gz DHZZNQRVPWWBRJ-UONOGXRCSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCCC2)C1 ZINC001445149757 912581192 /nfs/dbraw/zinc/58/11/92/912581192.db2.gz DHZZNQRVPWWBRJ-UONOGXRCSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@]1(O)CCCOC1)C1CC1 ZINC001346298789 890261143 /nfs/dbraw/zinc/26/11/43/890261143.db2.gz HRXNNOYFQLJTCB-UONOGXRCSA-N 2 1 272.389 -0.037 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@]1(O)CCCOC1)C1CC1 ZINC001346298789 890261157 /nfs/dbraw/zinc/26/11/57/890261157.db2.gz HRXNNOYFQLJTCB-UONOGXRCSA-N 2 1 272.389 -0.037 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH3+])CC(O)C3)[C@H]2C1 ZINC001346384988 890281098 /nfs/dbraw/zinc/28/10/98/890281098.db2.gz LSQHNKNGDSJEOR-BLMOIABJSA-N 2 1 267.373 -0.457 20 0 CBADMP COCC[NH2+]CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001346385975 890281319 /nfs/dbraw/zinc/28/13/19/890281319.db2.gz YEYHGCWDABFWDR-QJPTWQEYSA-N 2 1 255.362 -0.321 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C[NH3+])[C@H]2C1 ZINC001346386011 890281621 /nfs/dbraw/zinc/28/16/21/890281621.db2.gz YXXKEWVMSBNVFB-PPCPHDFISA-N 2 1 267.373 -0.193 20 0 CBADMP CC(C)C[NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001445244518 912612380 /nfs/dbraw/zinc/61/23/80/912612380.db2.gz DSHQWYMDRCMANU-ZDUSSCGKSA-N 2 1 287.404 -0.569 20 0 CBADMP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001445268560 912622002 /nfs/dbraw/zinc/62/20/02/912622002.db2.gz JFKBJTBNWXAHJT-RYUDHWBXSA-N 2 1 296.371 -0.499 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001445332749 912636859 /nfs/dbraw/zinc/63/68/59/912636859.db2.gz YQINNISRVVIZIM-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)C[N@@H+](C)C(C)C ZINC001445335772 912638315 /nfs/dbraw/zinc/63/83/15/912638315.db2.gz UZAUWSXDCYOYQX-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001445362801 912646452 /nfs/dbraw/zinc/64/64/52/912646452.db2.gz LFGOXIFDINLAMO-IJLUTSLNSA-N 2 1 284.404 -0.443 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001445358118 912648002 /nfs/dbraw/zinc/64/80/02/912648002.db2.gz YCAKNXVZJKVXBR-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001445432209 912666550 /nfs/dbraw/zinc/66/65/50/912666550.db2.gz KDPYKSSQEJFVDC-MNOVXSKESA-N 2 1 282.392 -0.250 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001445582083 912707248 /nfs/dbraw/zinc/70/72/48/912707248.db2.gz KPDKAKKSAMASDW-ONGXEEELSA-N 2 1 279.344 -0.826 20 0 CBADMP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001445599301 912708486 /nfs/dbraw/zinc/70/84/86/912708486.db2.gz MLYZJXHCNHUVAS-YFKTTZPYSA-N 2 1 284.404 -0.315 20 0 CBADMP C[C@H](C[N@@H+](C)CCn1cncn1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001445869149 912774675 /nfs/dbraw/zinc/77/46/75/912774675.db2.gz MNUHWHFRNRWHMM-OLZOCXBDSA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@H](C[NH+](C)CCn1cncn1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445869149 912774681 /nfs/dbraw/zinc/77/46/81/912774681.db2.gz MNUHWHFRNRWHMM-OLZOCXBDSA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@H](C[NH+](C)CCn1cncn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445869149 912774685 /nfs/dbraw/zinc/77/46/85/912774685.db2.gz MNUHWHFRNRWHMM-OLZOCXBDSA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CC(=O)N(C)C)CC2)C1 ZINC001446250054 912847357 /nfs/dbraw/zinc/84/73/57/912847357.db2.gz OFBXGAGLZOMDSI-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP Cc1nc(C)n(CC[NH2+]CCNC(=O)C[N@H+](C)C(C)C)n1 ZINC001152426425 884676007 /nfs/dbraw/zinc/67/60/07/884676007.db2.gz HOBXLEGRRBIGCR-UHFFFAOYSA-N 2 1 296.419 -0.059 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001446265331 912852077 /nfs/dbraw/zinc/85/20/77/912852077.db2.gz HSWRLBDARPOQTJ-LLVKDONJSA-N 2 1 282.388 -0.687 20 0 CBADMP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1)C(N)=O ZINC001188158544 884721320 /nfs/dbraw/zinc/72/13/20/884721320.db2.gz SNDLVJQGMIDWND-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001188158342 884721963 /nfs/dbraw/zinc/72/19/63/884721963.db2.gz LLSJEPZSXQCXSK-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001188145733 884722052 /nfs/dbraw/zinc/72/20/52/884722052.db2.gz LVISIOZQWJBTMN-LLVKDONJSA-N 2 1 295.391 -0.759 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001188145733 884722063 /nfs/dbraw/zinc/72/20/63/884722063.db2.gz LVISIOZQWJBTMN-LLVKDONJSA-N 2 1 295.391 -0.759 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188145701 884722292 /nfs/dbraw/zinc/72/22/92/884722292.db2.gz KLWZSFMXPYCZCE-LLVKDONJSA-N 2 1 270.377 -0.737 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001203455720 884749532 /nfs/dbraw/zinc/74/95/32/884749532.db2.gz KNZFJWOTPWANEP-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001203455572 884749634 /nfs/dbraw/zinc/74/96/34/884749634.db2.gz GHQGVNUTBUDWBG-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206464677 884758190 /nfs/dbraw/zinc/75/81/90/884758190.db2.gz RYXMOTMOGMDULP-PKFCDNJMSA-N 2 1 293.367 -0.643 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001210811946 884765542 /nfs/dbraw/zinc/76/55/42/884765542.db2.gz RYRRIJYNYISDIP-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001210810676 884766364 /nfs/dbraw/zinc/76/63/64/884766364.db2.gz CKOIEHINGFSTPD-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001211369927 884770645 /nfs/dbraw/zinc/77/06/45/884770645.db2.gz UVLKSHMKSYMVAF-JHJVBQTASA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001211369927 884770656 /nfs/dbraw/zinc/77/06/56/884770656.db2.gz UVLKSHMKSYMVAF-JHJVBQTASA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001211369927 884770668 /nfs/dbraw/zinc/77/06/68/884770668.db2.gz UVLKSHMKSYMVAF-JHJVBQTASA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001211369927 884770678 /nfs/dbraw/zinc/77/06/78/884770678.db2.gz UVLKSHMKSYMVAF-JHJVBQTASA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001211369058 884771475 /nfs/dbraw/zinc/77/14/75/884771475.db2.gz ATISKSUWSCZAMC-GHMZBOCLSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001211369058 884771444 /nfs/dbraw/zinc/77/14/44/884771444.db2.gz ATISKSUWSCZAMC-GHMZBOCLSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001211369058 884771460 /nfs/dbraw/zinc/77/14/60/884771460.db2.gz ATISKSUWSCZAMC-GHMZBOCLSA-N 2 1 270.377 -0.752 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430442 884776112 /nfs/dbraw/zinc/77/61/12/884776112.db2.gz NNHLXKJNVDWOIY-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001212430442 884776123 /nfs/dbraw/zinc/77/61/23/884776123.db2.gz NNHLXKJNVDWOIY-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212430442 884776127 /nfs/dbraw/zinc/77/61/27/884776127.db2.gz NNHLXKJNVDWOIY-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215929176 884782386 /nfs/dbraw/zinc/78/23/86/884782386.db2.gz AEUASLCAGZTVGA-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219794089 884792243 /nfs/dbraw/zinc/79/22/43/884792243.db2.gz QIOFNTHYGCEANL-CYBMUJFWSA-N 2 1 284.404 -0.971 20 0 CBADMP NC(=O)C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001326277488 884968646 /nfs/dbraw/zinc/96/86/46/884968646.db2.gz MLWMUEUMWFKIIF-NSHDSACASA-N 2 1 268.361 -0.994 20 0 CBADMP [NH3+]CCCOC1CCN(CC(=O)N2CC[NH2+]CC2)CC1 ZINC001326308449 884979353 /nfs/dbraw/zinc/97/93/53/884979353.db2.gz BFTCHLYWHNUSAJ-UHFFFAOYSA-N 2 1 284.404 -0.752 20 0 CBADMP [NH3+]C[C@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1 ZINC001326360700 885004501 /nfs/dbraw/zinc/00/45/01/885004501.db2.gz ABCNSBGSLXHLSN-ZJUUUORDSA-N 2 1 263.345 -0.093 20 0 CBADMP FC(F)CN1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC001326421355 885025017 /nfs/dbraw/zinc/02/50/17/885025017.db2.gz QIWIHUUHHMWRAW-UHFFFAOYSA-N 2 1 262.348 -0.226 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001446453738 912890063 /nfs/dbraw/zinc/89/00/63/912890063.db2.gz SNJJKGVJNIKQDN-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC001326688551 885113225 /nfs/dbraw/zinc/11/32/25/885113225.db2.gz TVIXCTLUZBIOGH-QWHCGFSZSA-N 2 1 296.415 -0.310 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001446553065 912904556 /nfs/dbraw/zinc/90/45/56/912904556.db2.gz NGICJARLRRVRDT-BXUZGUMPSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001446553065 912904562 /nfs/dbraw/zinc/90/45/62/912904562.db2.gz NGICJARLRRVRDT-BXUZGUMPSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001446553065 912904565 /nfs/dbraw/zinc/90/45/65/912904565.db2.gz NGICJARLRRVRDT-BXUZGUMPSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001446553065 912904568 /nfs/dbraw/zinc/90/45/68/912904568.db2.gz NGICJARLRRVRDT-BXUZGUMPSA-N 2 1 284.404 -0.219 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001446566810 912906970 /nfs/dbraw/zinc/90/69/70/912906970.db2.gz WJPCLBLWJXUPSJ-HNNXBMFYSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001446566810 912906984 /nfs/dbraw/zinc/90/69/84/912906984.db2.gz WJPCLBLWJXUPSJ-HNNXBMFYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCCCO ZINC001326950230 885200413 /nfs/dbraw/zinc/20/04/13/885200413.db2.gz YEKPBSCNSQQJQK-LBPRGKRZSA-N 2 1 272.393 -0.016 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001326988876 885213458 /nfs/dbraw/zinc/21/34/58/885213458.db2.gz DSRONJZLCIGGJS-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC001327087628 885251599 /nfs/dbraw/zinc/25/15/99/885251599.db2.gz PTZPQIUBZBYMIX-VXGBXAGGSA-N 2 1 256.394 -0.264 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOCCCO ZINC001327255444 885305459 /nfs/dbraw/zinc/30/54/59/885305459.db2.gz NMXXRSVIAQZEMP-UHFFFAOYSA-N 2 1 288.392 -0.778 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001446718912 912924197 /nfs/dbraw/zinc/92/41/97/912924197.db2.gz QYSFJOUQQOWIGY-UHFFFAOYSA-N 2 1 287.404 -0.426 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCCO)C1 ZINC001327581380 885413652 /nfs/dbraw/zinc/41/36/52/885413652.db2.gz PATINACOKDLARH-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP [NH3+]CCCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001327682025 885451871 /nfs/dbraw/zinc/45/18/71/885451871.db2.gz ITGRXMHCYFJDRK-QWHCGFSZSA-N 2 1 296.415 -0.025 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001446758171 912941150 /nfs/dbraw/zinc/94/11/50/912941150.db2.gz NEYGQVWMQJKUNB-TZMCWYRMSA-N 2 1 299.415 -0.596 20 0 CBADMP CN(CCC[NH3+])C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC001327862207 885505704 /nfs/dbraw/zinc/50/57/04/885505704.db2.gz BBCSNHFFMVDGCP-VIFPVBQESA-N 2 1 251.334 -0.093 20 0 CBADMP CCN(C(=O)C(=O)N(C)CC1C[NH+](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC001328282756 885620275 /nfs/dbraw/zinc/62/02/75/885620275.db2.gz PVHXDDGRKHGVNG-ZDUSSCGKSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCN1 ZINC001328398344 885667944 /nfs/dbraw/zinc/66/79/44/885667944.db2.gz JICRYUGOCFHOIS-RYUDHWBXSA-N 2 1 254.378 -0.652 20 0 CBADMP CN(C)C(=O)[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCN1 ZINC001328398344 885667939 /nfs/dbraw/zinc/66/79/39/885667939.db2.gz JICRYUGOCFHOIS-RYUDHWBXSA-N 2 1 254.378 -0.652 20 0 CBADMP CC[NH+]1CCN(CCCCNC(=O)[C@H](C)[NH3+])CC1 ZINC001328594488 885739649 /nfs/dbraw/zinc/73/96/49/885739649.db2.gz WJGINCFUQPEGEX-LBPRGKRZSA-N 2 1 256.394 -0.133 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001328773728 885808680 /nfs/dbraw/zinc/80/86/80/885808680.db2.gz XAJINDRGHDJKPH-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC001328770784 885808958 /nfs/dbraw/zinc/80/89/58/885808958.db2.gz YEYJUFCFSIVYDZ-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001329014007 885882505 /nfs/dbraw/zinc/88/25/05/885882505.db2.gz ITBUPCCXVDWXBP-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001329429037 886062199 /nfs/dbraw/zinc/06/21/99/886062199.db2.gz XVWAGOCGVGVTBU-SNVBAGLBSA-N 2 1 266.345 -0.875 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC001329434915 886066035 /nfs/dbraw/zinc/06/60/35/886066035.db2.gz ZSLFRMGGXNAVOM-WDEREUQCSA-N 2 1 295.387 -0.251 20 0 CBADMP CC[NH2+]CC(=O)NCCCCN1CC[NH+](C)CC1 ZINC001329569922 886128785 /nfs/dbraw/zinc/12/87/85/886128785.db2.gz PTKGABPWDKMYLA-UHFFFAOYSA-N 2 1 256.394 -0.260 20 0 CBADMP C[C@@H]1CN(CC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC001329500228 886096480 /nfs/dbraw/zinc/09/64/80/886096480.db2.gz ZWOLLBXXGHGYBJ-HUUCEWRRSA-N 2 1 282.432 -0.313 20 0 CBADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001329498724 886097311 /nfs/dbraw/zinc/09/73/11/886097311.db2.gz HYQOTOMRIHKKEM-UPJWGTAASA-N 3 1 268.405 -0.277 20 0 CBADMP C[C@H]1CN(CC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCO1 ZINC001329500227 886098219 /nfs/dbraw/zinc/09/82/19/886098219.db2.gz ZWOLLBXXGHGYBJ-GJZGRUSLSA-N 2 1 282.432 -0.313 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC[N@@H+]1C ZINC001329504411 886101146 /nfs/dbraw/zinc/10/11/46/886101146.db2.gz IHSKCZDKVUFGEN-YNEHKIRRSA-N 2 1 296.415 -0.267 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC[N@H+]1C ZINC001329504411 886101148 /nfs/dbraw/zinc/10/11/48/886101148.db2.gz IHSKCZDKVUFGEN-YNEHKIRRSA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@@H+](C)CCO ZINC001329533841 886112554 /nfs/dbraw/zinc/11/25/54/886112554.db2.gz ZMGYLQWRHCCVJA-NSHDSACASA-N 2 1 257.378 -0.243 20 0 CBADMP COCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001447049807 913009464 /nfs/dbraw/zinc/00/94/64/913009464.db2.gz YQQUNZUICYZRQS-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001447049807 913009484 /nfs/dbraw/zinc/00/94/84/913009484.db2.gz YQQUNZUICYZRQS-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001447049807 913009501 /nfs/dbraw/zinc/00/95/01/913009501.db2.gz YQQUNZUICYZRQS-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP COC[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001447061045 913016923 /nfs/dbraw/zinc/01/69/23/913016923.db2.gz VWYMDJTXPGIUKM-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001330024310 886331441 /nfs/dbraw/zinc/33/14/41/886331441.db2.gz PAHRZSDSFFWSOI-UTUOFQBUSA-N 2 1 280.372 -0.793 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001330871186 886608090 /nfs/dbraw/zinc/60/80/90/886608090.db2.gz PQGWMGRBRQOEKK-XQQFMLRXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CC[C@H]1O ZINC001331108850 886674922 /nfs/dbraw/zinc/67/49/22/886674922.db2.gz GSJVPARDRUCTTE-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331131205 886686221 /nfs/dbraw/zinc/68/62/21/886686221.db2.gz LQNJYZRSIVKEQY-AVGNSLFASA-N 2 1 296.415 -0.312 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001331196138 886723035 /nfs/dbraw/zinc/72/30/35/886723035.db2.gz KFHZRBBBTDEHTA-HAQNSBGRSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331413413 886796553 /nfs/dbraw/zinc/79/65/53/886796553.db2.gz POCMEGZNWZNXIM-CKYFFXLPSA-N 2 1 256.350 -0.911 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC001331490682 886821665 /nfs/dbraw/zinc/82/16/65/886821665.db2.gz ZQSAWGRIPSBWGT-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC001331511931 886828925 /nfs/dbraw/zinc/82/89/25/886828925.db2.gz AAUCXMTVZVKSPW-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001447470154 913085202 /nfs/dbraw/zinc/08/52/02/913085202.db2.gz NLGXKKDMKQBOFV-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001331603332 886862552 /nfs/dbraw/zinc/86/25/52/886862552.db2.gz BWRVGFPJCVQPST-ZYHUDNBSSA-N 2 1 280.372 -0.711 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331616223 886865278 /nfs/dbraw/zinc/86/52/78/886865278.db2.gz AANQMSJSSMDWGI-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001331658374 886886066 /nfs/dbraw/zinc/88/60/66/886886066.db2.gz OSURIFPKOMOINC-BETUJISGSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331665873 886891365 /nfs/dbraw/zinc/89/13/65/886891365.db2.gz CBOPQFGMHKADBD-AVGNSLFASA-N 2 1 296.415 -0.219 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCCF ZINC001331683869 886906124 /nfs/dbraw/zinc/90/61/24/886906124.db2.gz MEMXTFWEKDYDPU-GHMZBOCLSA-N 2 1 261.341 -0.493 20 0 CBADMP CC(C)=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001331687029 886909290 /nfs/dbraw/zinc/90/92/90/886909290.db2.gz YKPYEDUWHNFKOF-OLZOCXBDSA-N 2 1 285.388 -0.650 20 0 CBADMP CC(C)=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001331687029 886909304 /nfs/dbraw/zinc/90/93/04/886909304.db2.gz YKPYEDUWHNFKOF-OLZOCXBDSA-N 2 1 285.388 -0.650 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)[C@@H](C)C1 ZINC001447535435 913094413 /nfs/dbraw/zinc/09/44/13/913094413.db2.gz GLIBWFVSMVANQP-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CN(CCOCC[NH3+])C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC001331725216 886939032 /nfs/dbraw/zinc/93/90/32/886939032.db2.gz LQALVQVVXKHRGV-JTQLQIEISA-N 2 1 281.360 -0.466 20 0 CBADMP COCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001331834143 887004186 /nfs/dbraw/zinc/00/41/86/887004186.db2.gz DVCPFRJDEMVLJD-NEPJUHHUSA-N 2 1 273.377 -0.959 20 0 CBADMP [NH3+]CCCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001331919023 887046254 /nfs/dbraw/zinc/04/62/54/887046254.db2.gz SCZAYWUGNIHTJM-UHFFFAOYSA-N 3 1 252.366 -0.408 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001331957582 887060568 /nfs/dbraw/zinc/06/05/68/887060568.db2.gz LXTUIEHKBRAHNE-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001447736258 913111699 /nfs/dbraw/zinc/11/16/99/913111699.db2.gz BFLRTSGOILNIGF-STQMWFEESA-N 2 1 299.415 -0.738 20 0 CBADMP O=C1[C@H](N2CC[NH2+]CC[NH2+]CC2)CCN1C1CC1 ZINC001332333389 887207522 /nfs/dbraw/zinc/20/75/22/887207522.db2.gz AJKLFEIAUZARRL-GFCCVEGCSA-N 2 1 252.362 -0.756 20 0 CBADMP C[C@@H](O)C[NH2+]CC1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001447813877 913129929 /nfs/dbraw/zinc/12/99/29/913129929.db2.gz DHBPUBKCWGEBJR-IYXRBSQSSA-N 2 1 299.415 -0.426 20 0 CBADMP COCC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001332567311 887357330 /nfs/dbraw/zinc/35/73/30/887357330.db2.gz UOKQGRLDRLXOMJ-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC[N@H+]1C ZINC001332694790 887408843 /nfs/dbraw/zinc/40/88/43/887408843.db2.gz YQWSENJZMDUWDO-NEPJUHHUSA-N 2 1 296.415 -0.170 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001332722054 887418569 /nfs/dbraw/zinc/41/85/69/887418569.db2.gz CUXYGUBUUUGANX-NEPJUHHUSA-N 2 1 256.394 -0.277 20 0 CBADMP CNC(=O)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001332947512 887484998 /nfs/dbraw/zinc/48/49/98/887484998.db2.gz ZBUGCWSHSOGQLE-GFCCVEGCSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1nncn1C ZINC001447905364 913163830 /nfs/dbraw/zinc/16/38/30/913163830.db2.gz OWEILALIFBVRRK-QWRGUYRKSA-N 2 1 282.392 -0.250 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC001333404721 887624491 /nfs/dbraw/zinc/62/44/91/887624491.db2.gz HZSVJJDJNZKYHD-XYPYZODXSA-N 2 1 282.388 -0.560 20 0 CBADMP CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001333406525 887625100 /nfs/dbraw/zinc/62/51/00/887625100.db2.gz VTKMOSKLIXFSRG-JTQLQIEISA-N 2 1 282.388 -0.417 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001333421352 887630640 /nfs/dbraw/zinc/63/06/40/887630640.db2.gz GNIASRNIUJRBNX-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001333421352 887630652 /nfs/dbraw/zinc/63/06/52/887630652.db2.gz GNIASRNIUJRBNX-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001447916465 913168029 /nfs/dbraw/zinc/16/80/29/913168029.db2.gz YCSIFRUMUVRNOV-QWRGUYRKSA-N 2 1 297.407 -0.465 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001447916465 913168043 /nfs/dbraw/zinc/16/80/43/913168043.db2.gz YCSIFRUMUVRNOV-QWRGUYRKSA-N 2 1 297.407 -0.465 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001447937377 913172780 /nfs/dbraw/zinc/17/27/80/913172780.db2.gz NPOMAULBMWERDI-QWRGUYRKSA-N 2 1 295.387 -0.237 20 0 CBADMP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001447993349 913187112 /nfs/dbraw/zinc/18/71/12/913187112.db2.gz QZBKVEJZVJNNCG-RYUDHWBXSA-N 2 1 298.431 -0.114 20 0 CBADMP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001448070828 913211393 /nfs/dbraw/zinc/21/13/93/913211393.db2.gz ULJQBMDHKPPXKE-NWDGAFQWSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001448070828 913211411 /nfs/dbraw/zinc/21/14/11/913211411.db2.gz ULJQBMDHKPPXKE-NWDGAFQWSA-N 2 1 286.420 -0.149 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001448083985 913213414 /nfs/dbraw/zinc/21/34/14/913213414.db2.gz YNHUECGCOHLLHJ-NWDGAFQWSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001448083985 913213433 /nfs/dbraw/zinc/21/34/33/913213433.db2.gz YNHUECGCOHLLHJ-NWDGAFQWSA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001448079385 913214776 /nfs/dbraw/zinc/21/47/76/913214776.db2.gz NPUFWBFHGBHKFJ-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001448079385 913214790 /nfs/dbraw/zinc/21/47/90/913214790.db2.gz NPUFWBFHGBHKFJ-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001334774224 888320626 /nfs/dbraw/zinc/32/06/26/888320626.db2.gz GVFUYCXBVPMWDQ-CHWSQXEVSA-N 3 1 268.405 -0.146 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+](C)CCOC)C1 ZINC001448145514 913236164 /nfs/dbraw/zinc/23/61/64/913236164.db2.gz IPNXVFOMRWCLET-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+](C)CCOC)C1 ZINC001448145514 913236183 /nfs/dbraw/zinc/23/61/83/913236183.db2.gz IPNXVFOMRWCLET-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCOC)C1 ZINC001448145514 913236201 /nfs/dbraw/zinc/23/62/01/913236201.db2.gz IPNXVFOMRWCLET-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCOC)C1 ZINC001448145514 913236221 /nfs/dbraw/zinc/23/62/21/913236221.db2.gz IPNXVFOMRWCLET-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2C[NH2+]1 ZINC001335311198 888494865 /nfs/dbraw/zinc/49/48/65/888494865.db2.gz XHKCMVUJRWWSLS-ZJUUUORDSA-N 2 1 263.345 -0.191 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2C[NH2+]1 ZINC001335311195 888495767 /nfs/dbraw/zinc/49/57/67/888495767.db2.gz XHKCMVUJRWWSLS-UWVGGRQHSA-N 2 1 263.345 -0.191 20 0 CBADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1nncn1C ZINC001335449690 888534510 /nfs/dbraw/zinc/53/45/10/888534510.db2.gz UNZYLTGOOJAVJX-CMPLNLGQSA-N 2 1 267.377 -0.037 20 0 CBADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1nncn1C ZINC001335449690 888534518 /nfs/dbraw/zinc/53/45/18/888534518.db2.gz UNZYLTGOOJAVJX-CMPLNLGQSA-N 2 1 267.377 -0.037 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC[C@H](O)c2ccccn2)C1 ZINC001335458631 888538491 /nfs/dbraw/zinc/53/84/91/888538491.db2.gz RNIRJIMKINGXPE-QWHCGFSZSA-N 2 1 251.330 -0.229 20 0 CBADMP CN1CC[C@@](O)(C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC001335458631 888538494 /nfs/dbraw/zinc/53/84/94/888538494.db2.gz RNIRJIMKINGXPE-QWHCGFSZSA-N 2 1 251.330 -0.229 20 0 CBADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC001335458631 888538498 /nfs/dbraw/zinc/53/84/98/888538498.db2.gz RNIRJIMKINGXPE-QWHCGFSZSA-N 2 1 251.330 -0.229 20 0 CBADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC001335458631 888538503 /nfs/dbraw/zinc/53/85/03/888538503.db2.gz RNIRJIMKINGXPE-QWHCGFSZSA-N 2 1 251.330 -0.229 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC[C@H](O)c2ccccn2)C1 ZINC001335458634 888539256 /nfs/dbraw/zinc/53/92/56/888539256.db2.gz RNIRJIMKINGXPE-STQMWFEESA-N 2 1 251.330 -0.229 20 0 CBADMP CN1CC[C@](O)(C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC001335458634 888539268 /nfs/dbraw/zinc/53/92/68/888539268.db2.gz RNIRJIMKINGXPE-STQMWFEESA-N 2 1 251.330 -0.229 20 0 CBADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC001335458634 888539281 /nfs/dbraw/zinc/53/92/81/888539281.db2.gz RNIRJIMKINGXPE-STQMWFEESA-N 2 1 251.330 -0.229 20 0 CBADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC001335458634 888539299 /nfs/dbraw/zinc/53/92/99/888539299.db2.gz RNIRJIMKINGXPE-STQMWFEESA-N 2 1 251.330 -0.229 20 0 CBADMP C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC001335933784 888656180 /nfs/dbraw/zinc/65/61/80/888656180.db2.gz MALNVDJUIOAYDE-JHJVBQTASA-N 2 1 258.362 -0.570 20 0 CBADMP CN1CCN(C[C@@H](O)C[NH2+]CC2CC[NH+](C)CC2)CC1 ZINC001335942412 888658179 /nfs/dbraw/zinc/65/81/79/888658179.db2.gz PYFNRQQJIPOABK-HNNXBMFYSA-N 2 1 284.448 -0.474 20 0 CBADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001336095182 888692907 /nfs/dbraw/zinc/69/29/07/888692907.db2.gz LVPXLJAVNFRCFE-BZUAXINKSA-N 3 1 294.443 -0.266 20 0 CBADMP [NH3+]C/C=C\CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001336131793 888700493 /nfs/dbraw/zinc/70/04/93/888700493.db2.gz BNOSVUARUZBZDG-IKGCNYHESA-N 2 1 282.388 -0.258 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001336252549 888728377 /nfs/dbraw/zinc/72/83/77/888728377.db2.gz PLSGEGIXOBGTCW-WISYIIOYSA-N 2 1 268.361 -0.755 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001336659914 888836517 /nfs/dbraw/zinc/83/65/17/888836517.db2.gz NLNYKICQQFPCKZ-IUCAKERBSA-N 2 1 251.334 -0.206 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1([NH3+])CCOCC1 ZINC001336733057 888858282 /nfs/dbraw/zinc/85/82/82/888858282.db2.gz XUHPUJDRPMPKCI-UHFFFAOYSA-N 2 1 252.318 -0.184 20 0 CBADMP C[N@@H+]1CC=C(C[NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC001336770010 888876646 /nfs/dbraw/zinc/87/66/46/888876646.db2.gz FMGJFCDQYLLKEJ-ZDUSSCGKSA-N 2 1 270.373 -0.260 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001336906158 888917218 /nfs/dbraw/zinc/91/72/18/888917218.db2.gz DIYAJMZNBZTXJE-CYBMUJFWSA-N 2 1 283.420 -0.325 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001448426831 913296453 /nfs/dbraw/zinc/29/64/53/913296453.db2.gz IUUGYURVVLCTFA-RVMXOQNASA-N 2 1 296.415 -0.504 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC001337440774 889012358 /nfs/dbraw/zinc/01/23/58/889012358.db2.gz MLRKJNSOKAUTKV-DCAQKATOSA-N 2 1 282.388 -0.561 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001337472597 889018168 /nfs/dbraw/zinc/01/81/68/889018168.db2.gz YPANJVCNZWZBCE-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001448522372 913314127 /nfs/dbraw/zinc/31/41/27/913314127.db2.gz VOMACEZNWHMYDH-CYDGBPFRSA-N 2 1 296.415 -0.443 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001448518913 913314528 /nfs/dbraw/zinc/31/45/28/913314528.db2.gz AQVMRVRYVIQWIF-AVGNSLFASA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCC[NH+]1CCOCC1 ZINC001338424675 889156451 /nfs/dbraw/zinc/15/64/51/889156451.db2.gz UXSBHPMKHFWZNR-VXGBXAGGSA-N 2 1 270.377 -0.384 20 0 CBADMP Cc1cc(NC(=O)CC[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)no1 ZINC001338504636 889170643 /nfs/dbraw/zinc/17/06/43/889170643.db2.gz DZEOBXOXFIMVSB-ZDUSSCGKSA-N 2 1 282.344 -0.032 20 0 CBADMP Cc1cc(NC(=O)CC[NH2+]C[C@@]2(O)CC[N@H+](C)C2)no1 ZINC001338504636 889170647 /nfs/dbraw/zinc/17/06/47/889170647.db2.gz DZEOBXOXFIMVSB-ZDUSSCGKSA-N 2 1 282.344 -0.032 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001338764895 889201148 /nfs/dbraw/zinc/20/11/48/889201148.db2.gz BMJJJCIPYUXYAK-FIQHERPVSA-N 2 1 268.361 -0.816 20 0 CBADMP C[NH+](C)CCOCCNC(=O)C[NH+]1CCC(CO)CC1 ZINC001338935893 889217352 /nfs/dbraw/zinc/21/73/52/889217352.db2.gz DWKIRFSODKEJSS-UHFFFAOYSA-N 2 1 287.404 -0.615 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001340062168 889375328 /nfs/dbraw/zinc/37/53/28/889375328.db2.gz MPNOYYKUANKPLZ-TUAOUCFPSA-N 2 1 257.378 -0.339 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1CCC([NH3+])CC1 ZINC001339846357 889331069 /nfs/dbraw/zinc/33/10/69/889331069.db2.gz XTWXJZZSLYVCTK-XVSSEFHLSA-N 2 1 266.389 -0.239 20 0 CBADMP [NH3+]C[C@H](NC(=O)C[NH+]1CCC(CO)CC1)C1CC1 ZINC001339860125 889334995 /nfs/dbraw/zinc/33/49/95/889334995.db2.gz YBFPDBBFBOIZFH-LBPRGKRZSA-N 2 1 255.362 -0.456 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)C1 ZINC001339912679 889343248 /nfs/dbraw/zinc/34/32/48/889343248.db2.gz FKLULTIGJGRTSS-NMUGVGKYSA-N 2 1 255.318 -0.733 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)C1 ZINC001339912679 889343243 /nfs/dbraw/zinc/34/32/43/889343243.db2.gz FKLULTIGJGRTSS-NMUGVGKYSA-N 2 1 255.318 -0.733 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)[C@H](C)C[NH2+]1 ZINC001340127396 889387919 /nfs/dbraw/zinc/38/79/19/889387919.db2.gz AWMVFGCSCQZUAY-LPWJVIDDSA-N 2 1 266.389 -0.417 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC(C)([NH3+])CC1 ZINC001340147751 889395552 /nfs/dbraw/zinc/39/55/52/889395552.db2.gz OMHLBUPDNBMECE-NEPJUHHUSA-N 2 1 266.389 -0.286 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)CNCC[NH3+])C1 ZINC001340189218 889404828 /nfs/dbraw/zinc/40/48/28/889404828.db2.gz AFEKFAWTNIWRDB-LBPRGKRZSA-N 2 1 256.394 -0.229 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)NCC3([NH3+])CCC3)cc2C[NH2+]1 ZINC001340267360 889417504 /nfs/dbraw/zinc/41/75/04/889417504.db2.gz SLDLQCPGDCALCY-SECBINFHSA-N 2 1 263.345 -0.014 20 0 CBADMP [NH3+]CCNCC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC001340281282 889417671 /nfs/dbraw/zinc/41/76/71/889417671.db2.gz FJQJJLUTFYCYSZ-LBPRGKRZSA-N 2 1 263.345 -0.897 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CC(C)(C)[NH3+] ZINC001340596156 889451422 /nfs/dbraw/zinc/45/14/22/889451422.db2.gz POYQTZPOSGDJAH-WDEREUQCSA-N 2 1 254.378 -0.430 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001340615888 889453614 /nfs/dbraw/zinc/45/36/14/889453614.db2.gz PORSGIWZNOCUEA-SNVBAGLBSA-N 2 1 250.302 -0.561 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001340737067 889475781 /nfs/dbraw/zinc/47/57/81/889475781.db2.gz YJQCBTCSUHIRDR-NNYUYHANSA-N 2 1 252.362 -0.759 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001340801411 889487363 /nfs/dbraw/zinc/48/73/63/889487363.db2.gz GOYNBZFGYRGRSK-IUCAKERBSA-N 2 1 251.334 -0.158 20 0 CBADMP C[NH2+]C1CC(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001340845045 889494556 /nfs/dbraw/zinc/49/45/56/889494556.db2.gz PZDBXOOAMUDMEM-HIFPTAJRSA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)NCCOCCC[NH3+])cc2C[NH2+]1 ZINC001340846143 889495832 /nfs/dbraw/zinc/49/58/32/889495832.db2.gz WJQUCWNFJZRWGJ-SNVBAGLBSA-N 2 1 281.360 -0.530 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340847267 889497407 /nfs/dbraw/zinc/49/74/07/889497407.db2.gz YPOQQWACOSRNSH-LOWVWBTDSA-N 2 1 257.378 -0.054 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340847261 889498163 /nfs/dbraw/zinc/49/81/63/889498163.db2.gz YPOQQWACOSRNSH-DMDPSCGWSA-N 2 1 257.378 -0.054 20 0 CBADMP CCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001340893933 889507893 /nfs/dbraw/zinc/50/78/93/889507893.db2.gz LWEOJSGRPJHTGE-NWDGAFQWSA-N 2 1 254.378 -0.510 20 0 CBADMP [NH3+]CCNCC(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC001340922533 889515427 /nfs/dbraw/zinc/51/54/27/889515427.db2.gz MNYMLCHLOVXKKN-CYBMUJFWSA-N 2 1 280.347 -0.153 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001341238700 889562986 /nfs/dbraw/zinc/56/29/86/889562986.db2.gz LEESUYCLQNQQMR-GFCCVEGCSA-N 2 1 252.318 -0.496 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001341238703 889563225 /nfs/dbraw/zinc/56/32/25/889563225.db2.gz LEESUYCLQNQQMR-LBPRGKRZSA-N 2 1 252.318 -0.496 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC001341243729 889564731 /nfs/dbraw/zinc/56/47/31/889564731.db2.gz KABLGVWUSBJMSU-FRRDWIJNSA-N 2 1 266.389 -0.367 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001341291265 889571240 /nfs/dbraw/zinc/57/12/40/889571240.db2.gz LTYUTQQHUXVCIB-NWDGAFQWSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH2+]C1CC1 ZINC001341354089 889579377 /nfs/dbraw/zinc/57/93/77/889579377.db2.gz PTLKCUUZEBZEMY-ZYHUDNBSSA-N 2 1 252.362 -0.757 20 0 CBADMP CN1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC[N@@H+](C)CC1 ZINC001341395641 889589609 /nfs/dbraw/zinc/58/96/09/889589609.db2.gz VHRMECXTABFHKE-AWEZNQCLSA-N 2 1 268.405 -0.308 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001341465249 889601284 /nfs/dbraw/zinc/60/12/84/889601284.db2.gz KHRAIWCWQCCZJU-UTUOFQBUSA-N 2 1 266.389 -0.511 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001341620869 889635243 /nfs/dbraw/zinc/63/52/43/889635243.db2.gz ZUOBLAIJUINKLS-MDZLAQPJSA-N 2 1 255.362 -0.443 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001341633543 889636477 /nfs/dbraw/zinc/63/64/77/889636477.db2.gz FIGRWIXDJANFQI-LBELIVKGSA-N 2 1 266.389 -0.668 20 0 CBADMP C[C@H]([NH3+])C1(C(=O)NCCC[NH+]2CCOCC2)CCOCC1 ZINC001341630709 889637322 /nfs/dbraw/zinc/63/73/22/889637322.db2.gz GJVSYQGVBWRISC-ZDUSSCGKSA-N 2 1 299.415 -0.031 20 0 CBADMP C[C@]1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@H](O)C[NH2+]1 ZINC001341695507 889650004 /nfs/dbraw/zinc/65/00/04/889650004.db2.gz GNLJTKJRGXCSAH-SGMGOOAPSA-N 2 1 267.373 -0.300 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001341715281 889652085 /nfs/dbraw/zinc/65/20/85/889652085.db2.gz SXVLXFVYCLYXSE-WCQYABFASA-N 2 1 273.377 -0.816 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC001341712078 889653024 /nfs/dbraw/zinc/65/30/24/889653024.db2.gz NNGPSWXOIGCNPV-QWRGUYRKSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC001341712078 889653030 /nfs/dbraw/zinc/65/30/30/889653030.db2.gz NNGPSWXOIGCNPV-QWRGUYRKSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C[N@H+]1C1CC1 ZINC001341731086 889655022 /nfs/dbraw/zinc/65/50/22/889655022.db2.gz BDIMJTUIASIKJW-IUCKATPISA-N 2 1 267.373 -0.159 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001341748899 889658199 /nfs/dbraw/zinc/65/81/99/889658199.db2.gz UIZQHCPZHABKMC-RVMXOQNASA-N 2 1 266.389 -0.430 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001341848610 889673983 /nfs/dbraw/zinc/67/39/83/889673983.db2.gz RHKTTWAGLLWLSQ-NEPJUHHUSA-N 2 1 255.362 -0.036 20 0 CBADMP CC1(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C[NH2+]C1 ZINC001341924386 889683269 /nfs/dbraw/zinc/68/32/69/889683269.db2.gz RYMJLPJEYBKWQT-VXGBXAGGSA-N 2 1 267.373 -0.347 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001341983079 889694051 /nfs/dbraw/zinc/69/40/51/889694051.db2.gz OEGDBOAUXBOTPO-NDBYEHHHSA-N 2 1 266.389 -0.382 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@@H](CO)C1 ZINC001342034245 889702174 /nfs/dbraw/zinc/70/21/74/889702174.db2.gz HPESECKRTIPPCN-MDZLAQPJSA-N 2 1 253.346 -0.879 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001342222936 889732998 /nfs/dbraw/zinc/73/29/98/889732998.db2.gz ZUEUUSABBWOGKM-YVECIDJPSA-N 2 1 266.389 -0.369 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001342302776 889750997 /nfs/dbraw/zinc/75/09/97/889750997.db2.gz UGKALVLMIOJNSV-GXFFZTMASA-N 2 1 266.345 -0.534 20 0 CBADMP C[N@@H+]1CCCC[C@H]1C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001342302776 889750987 /nfs/dbraw/zinc/75/09/87/889750987.db2.gz UGKALVLMIOJNSV-GXFFZTMASA-N 2 1 266.345 -0.534 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001342391393 889767284 /nfs/dbraw/zinc/76/72/84/889767284.db2.gz FNUSLQGXAHCAHF-RVMXOQNASA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@H]1[C@H](NC(=O)c2cn(CCC[NH3+])nn2)CC[N@H+]1C ZINC001342569262 889791742 /nfs/dbraw/zinc/79/17/42/889791742.db2.gz IQYGXKNCZSVHSQ-VHSXEESVSA-N 2 1 266.349 -0.551 20 0 CBADMP Cc1sc(C[NH3+])nc1C(=O)N1CCNCC[NH2+]CC1 ZINC001342614420 889802360 /nfs/dbraw/zinc/80/23/60/889802360.db2.gz IRMRESAYDPWIOP-UHFFFAOYSA-N 2 1 283.401 -0.455 20 0 CBADMP CC[C@H]([NH3+])C(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001342630424 889803950 /nfs/dbraw/zinc/80/39/50/889803950.db2.gz QCUPBYZJASWCNY-ZANVPECISA-N 2 1 263.345 -0.280 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C[C@H]1[NH3+] ZINC001342648851 889809466 /nfs/dbraw/zinc/80/94/66/889809466.db2.gz LPEZQMSBRSSNTB-KKOKHZNYSA-N 2 1 252.362 -0.820 20 0 CBADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@]12CC[C@H]1C[NH2+]C2 ZINC001343023488 889857864 /nfs/dbraw/zinc/85/78/64/889857864.db2.gz XDAUJRSDMBPGQP-ZANVPECISA-N 2 1 261.329 -0.076 20 0 CBADMP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001343036935 889859533 /nfs/dbraw/zinc/85/95/33/889859533.db2.gz ISQMARFVRWDJAK-XQQFMLRXSA-N 2 1 268.405 -0.136 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001343052425 889862047 /nfs/dbraw/zinc/86/20/47/889862047.db2.gz CERYYXGORLWWNX-BFHYXJOUSA-N 2 1 299.415 -0.020 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001343372515 889896028 /nfs/dbraw/zinc/89/60/28/889896028.db2.gz SRQYKXXKCXSPQY-PWSUYJOCSA-N 2 1 255.362 -0.491 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001343371671 889896392 /nfs/dbraw/zinc/89/63/92/889896392.db2.gz KVRRMFIYYYAUPC-DGCLKSJQSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001343391699 889899158 /nfs/dbraw/zinc/89/91/58/889899158.db2.gz LPVMZXBHTNFKIK-NQBHXWOUSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C[C@@H](O)C[NH3+])C1 ZINC001343445747 889908681 /nfs/dbraw/zinc/90/86/81/889908681.db2.gz XYKXACOEQJYVDV-CHWSQXEVSA-N 2 1 269.389 -0.114 20 0 CBADMP COCC[NH2+]CCNC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001343459374 889912726 /nfs/dbraw/zinc/91/27/26/889912726.db2.gz PNUIZDFHIGFQNW-SNVBAGLBSA-N 2 1 281.360 -0.659 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001343474313 889915420 /nfs/dbraw/zinc/91/54/20/889915420.db2.gz VGAGYAFVZJWHRT-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@H]1C[N@@H+](C)CCN1C ZINC001343492896 889922207 /nfs/dbraw/zinc/92/22/07/889922207.db2.gz WKERLNODCCCXKZ-FVCCEPFGSA-N 2 1 268.405 -0.136 20 0 CBADMP CC[NH2+][C@H](C)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001343489034 889923349 /nfs/dbraw/zinc/92/33/49/889923349.db2.gz IWUQSTXEMCZBRW-IJLUTSLNSA-N 2 1 256.394 -0.265 20 0 CBADMP Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001448819152 913402597 /nfs/dbraw/zinc/40/25/97/913402597.db2.gz DUZXTHHCBPVDRG-YPMHNXCESA-N 2 1 295.387 -0.919 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001344128462 890005560 /nfs/dbraw/zinc/00/55/60/890005560.db2.gz QCZOMSIHBOWBOP-VOAKCMCISA-N 2 1 294.399 -0.702 20 0 CBADMP C[C@H](C[NH3+])C(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001344849012 890073518 /nfs/dbraw/zinc/07/35/18/890073518.db2.gz YLPXJTNSGLVOHA-NOZJJQNGSA-N 2 1 263.345 -0.422 20 0 CBADMP O=C(NCCCCC[NH+]1CCNCC1)C12CC(C1)C[NH2+]2 ZINC001344918969 890079454 /nfs/dbraw/zinc/07/94/54/890079454.db2.gz AUWVHQMXGLTRNP-UHFFFAOYSA-N 2 1 280.416 -0.070 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC001345152928 890105007 /nfs/dbraw/zinc/10/50/07/890105007.db2.gz HXOKNXJSALIFHL-WOPDTQHZSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC001345152928 890105011 /nfs/dbraw/zinc/10/50/11/890105011.db2.gz HXOKNXJSALIFHL-WOPDTQHZSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001345198315 890111543 /nfs/dbraw/zinc/11/15/43/890111543.db2.gz RJZOQPNGWWQOLP-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C3=NO[C@@H](C[NH3+])C3)C[C@]2(C)C1 ZINC001345390348 890124397 /nfs/dbraw/zinc/12/43/97/890124397.db2.gz BPTGLTPDFLPZLI-BREBYQMCSA-N 2 1 266.345 -0.500 20 0 CBADMP CN1CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC[N@H+](C)CC1 ZINC001345453336 890129553 /nfs/dbraw/zinc/12/95/53/890129553.db2.gz ISVRXAZDOACXJS-JTQLQIEISA-N 2 1 278.347 -0.325 20 0 CBADMP CN1CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC[N@@H+](C)CC1 ZINC001345453336 890129561 /nfs/dbraw/zinc/12/95/61/890129561.db2.gz ISVRXAZDOACXJS-JTQLQIEISA-N 2 1 278.347 -0.325 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC[NH+]1CCCC1 ZINC001345536150 890139629 /nfs/dbraw/zinc/13/96/29/890139629.db2.gz JLJNAJHQXFVGPY-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP C[N@H+]1CCCC[C@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001345821752 890168959 /nfs/dbraw/zinc/16/89/59/890168959.db2.gz FILFEXRNWUZNKW-VHSXEESVSA-N 2 1 254.334 -0.310 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC001345821753 890169804 /nfs/dbraw/zinc/16/98/04/890169804.db2.gz FILFEXRNWUZNKW-ZJUUUORDSA-N 2 1 254.334 -0.310 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001345911287 890177525 /nfs/dbraw/zinc/17/75/25/890177525.db2.gz IMXLNLGQCCYSJV-AVGNSLFASA-N 2 1 296.415 -0.312 20 0 CBADMP CC(=O)NC[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC001346016595 890194573 /nfs/dbraw/zinc/19/45/73/890194573.db2.gz CZMNMVXSMQYSGW-CQSZACIVSA-N 2 1 268.405 -0.260 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC001346018230 890198077 /nfs/dbraw/zinc/19/80/77/890198077.db2.gz SRBIAISMOCNPRT-RWMBFGLXSA-N 3 1 266.389 -0.523 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC001346018230 890198084 /nfs/dbraw/zinc/19/80/84/890198084.db2.gz SRBIAISMOCNPRT-RWMBFGLXSA-N 2 1 266.389 -0.523 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC001346018232 890198370 /nfs/dbraw/zinc/19/83/70/890198370.db2.gz SRBIAISMOCNPRT-YNEHKIRRSA-N 3 1 266.389 -0.523 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC001346018232 890198376 /nfs/dbraw/zinc/19/83/76/890198376.db2.gz SRBIAISMOCNPRT-YNEHKIRRSA-N 2 1 266.389 -0.523 20 0 CBADMP C[C@@H]1CN(C(=O)c2cc3n(n2)C[C@H](C)[NH2+]C3)CC[NH2+]1 ZINC001346057680 890208555 /nfs/dbraw/zinc/20/85/55/890208555.db2.gz QUYCVAPSSRXDJN-ZJUUUORDSA-N 2 1 263.345 -0.191 20 0 CBADMP C[NH2+]CCCC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001346229686 890245368 /nfs/dbraw/zinc/24/53/68/890245368.db2.gz WIGVRQIBOWLZCM-NEPJUHHUSA-N 2 1 256.394 -0.264 20 0 CBADMP C[NH2+]CCCC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346229686 890245405 /nfs/dbraw/zinc/24/54/05/890245405.db2.gz WIGVRQIBOWLZCM-NEPJUHHUSA-N 2 1 256.394 -0.264 20 0 CBADMP C[NH2+]CCCC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001346229686 890245423 /nfs/dbraw/zinc/24/54/23/890245423.db2.gz WIGVRQIBOWLZCM-NEPJUHHUSA-N 2 1 256.394 -0.264 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@H]1C[N@@H+](C)CCN1C ZINC001346228920 890245604 /nfs/dbraw/zinc/24/56/04/890245604.db2.gz OBQLAUZNPILTOB-GRYCIOLGSA-N 2 1 254.378 -0.511 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC001346317645 890268469 /nfs/dbraw/zinc/26/84/69/890268469.db2.gz AKMHQVGGMFHRKV-STQMWFEESA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCNCC[NH2+]CC1 ZINC001346390598 890282206 /nfs/dbraw/zinc/28/22/06/890282206.db2.gz JAMFWZUULZJSQR-JSGCOSHPSA-N 2 1 295.431 -0.327 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CNC(=O)C1 ZINC001347103922 890409299 /nfs/dbraw/zinc/40/92/99/890409299.db2.gz HRZPPDAYPSDNHA-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001347156681 890418504 /nfs/dbraw/zinc/41/85/04/890418504.db2.gz ALLGFEMVIPUDHC-QWHCGFSZSA-N 2 1 284.404 -0.896 20 0 CBADMP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001448912113 913456767 /nfs/dbraw/zinc/45/67/67/913456767.db2.gz TZEWNTMGAXXBFH-VXGBXAGGSA-N 2 1 289.420 -0.588 20 0 CBADMP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001448912109 913457572 /nfs/dbraw/zinc/45/75/72/913457572.db2.gz TZEWNTMGAXXBFH-NWDGAFQWSA-N 2 1 289.420 -0.588 20 0 CBADMP NC(=O)C[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC001348448122 890626623 /nfs/dbraw/zinc/62/66/23/890626623.db2.gz WEIYTKPYSFQSKI-QWRGUYRKSA-N 2 1 269.345 -0.916 20 0 CBADMP NC(=O)C[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC001348448122 890626630 /nfs/dbraw/zinc/62/66/30/890626630.db2.gz WEIYTKPYSFQSKI-QWRGUYRKSA-N 2 1 269.345 -0.916 20 0 CBADMP NC(=O)C[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC001348448121 890627464 /nfs/dbraw/zinc/62/74/64/890627464.db2.gz WEIYTKPYSFQSKI-MNOVXSKESA-N 2 1 269.345 -0.916 20 0 CBADMP NC(=O)C[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC001348448121 890627471 /nfs/dbraw/zinc/62/74/71/890627471.db2.gz WEIYTKPYSFQSKI-MNOVXSKESA-N 2 1 269.345 -0.916 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001348593690 890658770 /nfs/dbraw/zinc/65/87/70/890658770.db2.gz QJTBTBPMSWRBIJ-AAEUAGOBSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001348595037 890658801 /nfs/dbraw/zinc/65/88/01/890658801.db2.gz HBFUQVJPNKMYME-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H]1C ZINC001448980976 913476245 /nfs/dbraw/zinc/47/62/45/913476245.db2.gz OIILRSMXTALDLY-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001348958827 890738172 /nfs/dbraw/zinc/73/81/72/890738172.db2.gz YOZVUZSJIMVIJM-HOCLYGCPSA-N 3 1 296.459 -0.331 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CC(N)=O)CC2 ZINC001449006643 913485471 /nfs/dbraw/zinc/48/54/71/913485471.db2.gz DLRWDFASJHGPAZ-WFASDCNBSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CC(N)=O)CC2 ZINC001449006643 913485479 /nfs/dbraw/zinc/48/54/79/913485479.db2.gz DLRWDFASJHGPAZ-WFASDCNBSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2 ZINC001449006643 913485501 /nfs/dbraw/zinc/48/55/01/913485501.db2.gz DLRWDFASJHGPAZ-WFASDCNBSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2 ZINC001449006643 913485507 /nfs/dbraw/zinc/48/55/07/913485507.db2.gz DLRWDFASJHGPAZ-WFASDCNBSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCCNC(=O)CCc1cnc[nH]1 ZINC001349174090 890770435 /nfs/dbraw/zinc/77/04/35/890770435.db2.gz QAUHRJGZDDQBEB-UHFFFAOYSA-N 2 1 295.387 -0.085 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCNC(=O)CCc1cnc[nH]1 ZINC001349174090 890770453 /nfs/dbraw/zinc/77/04/53/890770453.db2.gz QAUHRJGZDDQBEB-UHFFFAOYSA-N 2 1 295.387 -0.085 20 0 CBADMP CC[NH+](CC)CC(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001349327797 890797068 /nfs/dbraw/zinc/79/70/68/890797068.db2.gz UBJCXXCEBQZGJI-UHFFFAOYSA-N 2 1 268.405 -0.214 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1=CC[NH+](C)CC1 ZINC001349403125 890808765 /nfs/dbraw/zinc/80/87/65/890808765.db2.gz GTSGARREIABXCH-GXTWGEPZSA-N 2 1 278.400 -0.247 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC1=CC[N@H+](C)CC1 ZINC001349403125 890808773 /nfs/dbraw/zinc/80/87/73/890808773.db2.gz GTSGARREIABXCH-GXTWGEPZSA-N 2 1 278.400 -0.247 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC1=CC[N@@H+](C)CC1 ZINC001349403125 890808784 /nfs/dbraw/zinc/80/87/84/890808784.db2.gz GTSGARREIABXCH-GXTWGEPZSA-N 2 1 278.400 -0.247 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC001349417664 890810154 /nfs/dbraw/zinc/81/01/54/890810154.db2.gz IHMVSISANOEZPX-RWMBFGLXSA-N 2 1 268.405 -0.182 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC001349457912 890818376 /nfs/dbraw/zinc/81/83/76/890818376.db2.gz KOQYIPWMQOBKCO-SNVBAGLBSA-N 2 1 266.349 -0.692 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(CCN3CC[NH2+]CC3)CC2)C1 ZINC001349486991 890824544 /nfs/dbraw/zinc/82/45/44/890824544.db2.gz OPZMXCTWTKVKMO-MRXNPFEDSA-N 2 1 295.475 -0.397 20 0 CBADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCN3CC[NH2+]CC3)CC2)C1 ZINC001349486991 890824554 /nfs/dbraw/zinc/82/45/54/890824554.db2.gz OPZMXCTWTKVKMO-MRXNPFEDSA-N 3 1 295.475 -0.397 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCN3CC[NH2+]CC3)CC2)C1 ZINC001349486991 890824562 /nfs/dbraw/zinc/82/45/62/890824562.db2.gz OPZMXCTWTKVKMO-MRXNPFEDSA-N 3 1 295.475 -0.397 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC001349808200 890896027 /nfs/dbraw/zinc/89/60/27/890896027.db2.gz MFZBDSHADDDCHO-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001349994640 890921290 /nfs/dbraw/zinc/92/12/90/890921290.db2.gz LQNJYZRSIVKEQY-UPJWGTAASA-N 2 1 296.415 -0.312 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCCCNC(=O)CC[NH+](C)C ZINC001350074257 890932720 /nfs/dbraw/zinc/93/27/20/890932720.db2.gz YYGFASMRKJJEFD-UHFFFAOYSA-N 2 1 295.387 -0.234 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001350646539 891019953 /nfs/dbraw/zinc/01/99/53/891019953.db2.gz KGHZTJDKXYZZKR-GRYCIOLGSA-N 2 1 254.378 -0.619 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1CC[NH2+]CC1 ZINC001352990424 891338511 /nfs/dbraw/zinc/33/85/11/891338511.db2.gz ZXKGOTWYDCDKSA-AAEUAGOBSA-N 2 1 266.389 -0.510 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)C1CC[NH2+]CC1 ZINC001352987086 891338709 /nfs/dbraw/zinc/33/87/09/891338709.db2.gz FOPKRHFHIDPNRH-YPMHNXCESA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H](C[NH3+])C1CC1 ZINC001353005412 891339802 /nfs/dbraw/zinc/33/98/02/891339802.db2.gz RTXNYBHEIFAFBQ-JLLWLGSASA-N 2 1 252.362 -0.772 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001353148036 891367375 /nfs/dbraw/zinc/36/73/75/891367375.db2.gz FOGKKZHMZHYRNR-SLEUVZQESA-N 2 1 296.415 -0.489 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001353148038 891367963 /nfs/dbraw/zinc/36/79/63/891367963.db2.gz FOGKKZHMZHYRNR-TYNCELHUSA-N 2 1 296.415 -0.489 20 0 CBADMP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC001353300265 891398264 /nfs/dbraw/zinc/39/82/64/891398264.db2.gz LUFJISQPTLLTKK-HNNXBMFYSA-N 3 1 282.432 -0.554 20 0 CBADMP CN1CCN(C[C@@H](O)C[NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC001353300265 891398280 /nfs/dbraw/zinc/39/82/80/891398280.db2.gz LUFJISQPTLLTKK-HNNXBMFYSA-N 2 1 282.432 -0.554 20 0 CBADMP CN1CCN(C[C@@H](O)C[NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC001353300265 891398299 /nfs/dbraw/zinc/39/82/99/891398299.db2.gz LUFJISQPTLLTKK-HNNXBMFYSA-N 2 1 282.432 -0.554 20 0 CBADMP [NH3+][C@H](CO)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC001353481628 891433578 /nfs/dbraw/zinc/43/35/78/891433578.db2.gz GSAUCNQOQXETOC-CQSZACIVSA-N 2 1 277.368 -0.129 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH2+]CCN1C)C(C)C ZINC001353527492 891440632 /nfs/dbraw/zinc/44/06/32/891440632.db2.gz VPPIJYAZQJAMNR-GFCCVEGCSA-N 2 1 256.394 -0.264 20 0 CBADMP C[C@H]([NH3+])[C@H](C)NC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001353653884 891455388 /nfs/dbraw/zinc/45/53/88/891455388.db2.gz FWPJVASSXXCEOC-VGMNWLOBSA-N 2 1 251.334 -0.160 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N(C)C3CC([NH3+])C3)cc2C[NH2+]1 ZINC001353654085 891456912 /nfs/dbraw/zinc/45/69/12/891456912.db2.gz HRYSPESKSCWLNR-IDKOKCKLSA-N 2 1 263.345 -0.064 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001449319996 913567299 /nfs/dbraw/zinc/56/72/99/913567299.db2.gz DJEXLFZHOSYPFE-LLVKDONJSA-N 2 1 286.420 -0.068 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001449319998 913569453 /nfs/dbraw/zinc/56/94/53/913569453.db2.gz DJEXLFZHOSYPFE-NSHDSACASA-N 2 1 286.420 -0.068 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001354343370 891568358 /nfs/dbraw/zinc/56/83/58/891568358.db2.gz OVLKUMNQUSYLNL-CHWSQXEVSA-N 2 1 269.389 -0.066 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001354451000 891581957 /nfs/dbraw/zinc/58/19/57/891581957.db2.gz UPUPYEZRUQSHNM-AAEUAGOBSA-N 2 1 255.362 -0.299 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001354450030 891582090 /nfs/dbraw/zinc/58/20/90/891582090.db2.gz MJCGUUQJHJFMJG-DTWKUNHWSA-N 2 1 251.334 -0.206 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001354683510 891605581 /nfs/dbraw/zinc/60/55/81/891605581.db2.gz OMIRKMKLUIDYPX-CHWSQXEVSA-N 2 1 268.405 -0.262 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001355817803 891707602 /nfs/dbraw/zinc/70/76/02/891707602.db2.gz DPTQFSSPHISFAH-RYUDHWBXSA-N 2 1 256.394 -0.134 20 0 CBADMP [NH3+]C1(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC001356228489 891739652 /nfs/dbraw/zinc/73/96/52/891739652.db2.gz RYTGSXCGWFAXEO-NEPJUHHUSA-N 2 1 267.373 -0.075 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001356439236 891758835 /nfs/dbraw/zinc/75/88/35/891758835.db2.gz RVRAYPFFYVICCM-SNVBAGLBSA-N 2 1 280.372 -0.806 20 0 CBADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)CNCC[NH3+])C[C@@H](C)O1 ZINC001357376398 891880189 /nfs/dbraw/zinc/88/01/89/891880189.db2.gz PUABCLMOHYLMFF-MGPQQGTHSA-N 2 1 298.431 -0.365 20 0 CBADMP Cc1[nH+]ccn1CCCCNC(=O)C[C@H](O)C[NH3+] ZINC001357413925 891891368 /nfs/dbraw/zinc/89/13/68/891891368.db2.gz KRMUVPZJZSRCSS-NSHDSACASA-N 2 1 254.334 -0.202 20 0 CBADMP O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CC[NH2+]C[C@@H]1C(F)F ZINC001357471565 891899817 /nfs/dbraw/zinc/89/98/17/891899817.db2.gz GDQUEXLQLRDPCL-UTINFBMNSA-N 2 1 259.300 -0.093 20 0 CBADMP O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CC[NH2+]C[C@@H]1C(F)F ZINC001357471563 891902211 /nfs/dbraw/zinc/90/22/11/891902211.db2.gz GDQUEXLQLRDPCL-RGOKHQFPSA-N 2 1 259.300 -0.093 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(CO)CC2)C[NH2+]1 ZINC001357937794 891947636 /nfs/dbraw/zinc/94/76/36/891947636.db2.gz GEMKFRNVVSRFDB-AAEUAGOBSA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001357969177 891954309 /nfs/dbraw/zinc/95/43/09/891954309.db2.gz IBKPMTMROTVKNU-RVMXOQNASA-N 2 1 264.373 -0.663 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001357969176 891954952 /nfs/dbraw/zinc/95/49/52/891954952.db2.gz IBKPMTMROTVKNU-NDBYEHHHSA-N 2 1 264.373 -0.663 20 0 CBADMP [NH3+]CCCSCCC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001358111640 891971186 /nfs/dbraw/zinc/97/11/86/891971186.db2.gz PVTPBRWCPRMWDF-UHFFFAOYSA-N 3 1 288.461 -0.002 20 0 CBADMP C[C@@]1(C(=O)Nc2cc3n(n2)CC[NH2+]C3)C[NH2+]CCO1 ZINC001358437536 892005335 /nfs/dbraw/zinc/00/53/35/892005335.db2.gz RSKHZUGDPFMKPO-LBPRGKRZSA-N 2 1 265.317 -0.697 20 0 CBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(CO)CC3)C[C@@H]21 ZINC001449927883 913627114 /nfs/dbraw/zinc/62/71/14/913627114.db2.gz WRTZKEWVLLXCIG-KGLIPLIRSA-N 2 1 281.400 -0.147 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(CO)CC3)C[C@@H]21 ZINC001449927883 913627125 /nfs/dbraw/zinc/62/71/25/913627125.db2.gz WRTZKEWVLLXCIG-KGLIPLIRSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001362361181 892624223 /nfs/dbraw/zinc/62/42/23/892624223.db2.gz WZSPPUYYVXAPKJ-DGCLKSJQSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001362373693 892636587 /nfs/dbraw/zinc/63/65/87/892636587.db2.gz IEZIGGAFGBMVRY-CHWSQXEVSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001362373693 892636593 /nfs/dbraw/zinc/63/65/93/892636593.db2.gz IEZIGGAFGBMVRY-CHWSQXEVSA-N 2 1 287.404 -0.738 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21)[C@@H]1CCC[C@H]1O ZINC001362913909 893165517 /nfs/dbraw/zinc/16/55/17/893165517.db2.gz AZYHLAWAVGGASO-AAVRWANBSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+](CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)[C@@H]1CCC[C@H]1O ZINC001362913909 893165526 /nfs/dbraw/zinc/16/55/26/893165526.db2.gz AZYHLAWAVGGASO-AAVRWANBSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+](CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)[C@@H]1CCC[C@H]1O ZINC001362913909 893165532 /nfs/dbraw/zinc/16/55/32/893165532.db2.gz AZYHLAWAVGGASO-AAVRWANBSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001363032550 893285390 /nfs/dbraw/zinc/28/53/90/893285390.db2.gz XTMYWVRSMSJWAU-QWHCGFSZSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001363032550 893285401 /nfs/dbraw/zinc/28/54/01/893285401.db2.gz XTMYWVRSMSJWAU-QWHCGFSZSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001363032550 893285409 /nfs/dbraw/zinc/28/54/09/893285409.db2.gz XTMYWVRSMSJWAU-QWHCGFSZSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001363032550 893285420 /nfs/dbraw/zinc/28/54/20/893285420.db2.gz XTMYWVRSMSJWAU-QWHCGFSZSA-N 2 1 287.379 -0.055 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001450929215 913752209 /nfs/dbraw/zinc/75/22/09/913752209.db2.gz GZPBLQXITOSXCU-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001363292134 893544240 /nfs/dbraw/zinc/54/42/40/893544240.db2.gz CUICIBQPKMTZGE-TUAOUCFPSA-N 2 1 283.372 -0.452 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001363292134 893544253 /nfs/dbraw/zinc/54/42/53/893544253.db2.gz CUICIBQPKMTZGE-TUAOUCFPSA-N 2 1 283.372 -0.452 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001363292134 893544271 /nfs/dbraw/zinc/54/42/71/893544271.db2.gz CUICIBQPKMTZGE-TUAOUCFPSA-N 2 1 283.372 -0.452 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001363292134 893544289 /nfs/dbraw/zinc/54/42/89/893544289.db2.gz CUICIBQPKMTZGE-TUAOUCFPSA-N 2 1 283.372 -0.452 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001363292134 893544297 /nfs/dbraw/zinc/54/42/97/893544297.db2.gz CUICIBQPKMTZGE-TUAOUCFPSA-N 2 1 283.372 -0.452 20 0 CBADMP C[C@H](C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)N1CC[NH+](C)CC1 ZINC001363297205 893555783 /nfs/dbraw/zinc/55/57/83/893555783.db2.gz FUTVTCVRNHMJNL-MCIONIFRSA-N 2 1 280.416 -0.215 20 0 CBADMP C[C@H](C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)N1CC[NH+](C)CC1 ZINC001363297205 893555802 /nfs/dbraw/zinc/55/58/02/893555802.db2.gz FUTVTCVRNHMJNL-MCIONIFRSA-N 2 1 280.416 -0.215 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[C@H]1O ZINC001363375266 893624224 /nfs/dbraw/zinc/62/42/24/893624224.db2.gz ZEDJGBDIRRNLBK-MGPQQGTHSA-N 2 1 299.415 -0.596 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1C[C@H]2CC[NH+](C)[C@H]2C1 ZINC001364207323 894255291 /nfs/dbraw/zinc/25/52/91/894255291.db2.gz BCMMRRMSRZOMQH-RDBSUJKOSA-N 2 1 295.431 -0.422 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001364207323 894255305 /nfs/dbraw/zinc/25/53/05/894255305.db2.gz BCMMRRMSRZOMQH-RDBSUJKOSA-N 2 1 295.431 -0.422 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001364207323 894255323 /nfs/dbraw/zinc/25/53/23/894255323.db2.gz BCMMRRMSRZOMQH-RDBSUJKOSA-N 2 1 295.431 -0.422 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001364643565 894539180 /nfs/dbraw/zinc/53/91/80/894539180.db2.gz QHNPOKMGDGNRNM-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)C1 ZINC001364643565 894539197 /nfs/dbraw/zinc/53/91/97/894539197.db2.gz QHNPOKMGDGNRNM-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)C1 ZINC001364643565 894539206 /nfs/dbraw/zinc/53/92/06/894539206.db2.gz QHNPOKMGDGNRNM-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+](C)CCC1CC[NH+](Cc2cn(CC(N)=O)nn2)CC1 ZINC001364920044 894686510 /nfs/dbraw/zinc/68/65/10/894686510.db2.gz BKUPDVGMUOQWGM-UHFFFAOYSA-N 2 1 294.403 -0.073 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC001365305729 894884464 /nfs/dbraw/zinc/88/44/64/894884464.db2.gz NTOIYOIXHBSBRS-JSGCOSHPSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC001365305729 894884481 /nfs/dbraw/zinc/88/44/81/894884481.db2.gz NTOIYOIXHBSBRS-JSGCOSHPSA-N 2 1 299.415 -0.740 20 0 CBADMP CN1CCN(C(=O)CC[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC1 ZINC001365328390 894904579 /nfs/dbraw/zinc/90/45/79/894904579.db2.gz FXVZIWAITWGGAQ-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC1 ZINC001365328390 894904588 /nfs/dbraw/zinc/90/45/88/894904588.db2.gz FXVZIWAITWGGAQ-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC1 ZINC001365328390 894904599 /nfs/dbraw/zinc/90/45/99/894904599.db2.gz FXVZIWAITWGGAQ-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@]1(O)CC[N@H+](C)C1)C2 ZINC001365590726 895036496 /nfs/dbraw/zinc/03/64/96/895036496.db2.gz VVAUJWTWWHJZQR-VYHDIPPYSA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001365590726 895036512 /nfs/dbraw/zinc/03/65/12/895036512.db2.gz VVAUJWTWWHJZQR-VYHDIPPYSA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001365590726 895036530 /nfs/dbraw/zinc/03/65/30/895036530.db2.gz VVAUJWTWWHJZQR-VYHDIPPYSA-N 2 1 296.415 -0.023 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001365607500 895038730 /nfs/dbraw/zinc/03/87/30/895038730.db2.gz CTRJKGPVRMCGFR-UHFFFAOYSA-N 2 1 278.356 -0.282 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001365607500 895038746 /nfs/dbraw/zinc/03/87/46/895038746.db2.gz CTRJKGPVRMCGFR-UHFFFAOYSA-N 2 1 278.356 -0.282 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001365840648 895130877 /nfs/dbraw/zinc/13/08/77/895130877.db2.gz FFZPKADGAQJQEQ-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940583 895144083 /nfs/dbraw/zinc/14/40/83/895144083.db2.gz OTGGCYCOHLIKNC-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940583 895144090 /nfs/dbraw/zinc/14/40/90/895144090.db2.gz OTGGCYCOHLIKNC-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940575 895145218 /nfs/dbraw/zinc/14/52/18/895145218.db2.gz OTGGCYCOHLIKNC-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940575 895145224 /nfs/dbraw/zinc/14/52/24/895145224.db2.gz OTGGCYCOHLIKNC-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](O)C[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001365952990 895148183 /nfs/dbraw/zinc/14/81/83/895148183.db2.gz AULPNJNRJZYGRE-UONOGXRCSA-N 2 1 298.431 -0.805 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001365971854 895155992 /nfs/dbraw/zinc/15/59/92/895155992.db2.gz CFOTZFPDGDFSBI-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001366001786 895171493 /nfs/dbraw/zinc/17/14/93/895171493.db2.gz DDXJYHXSTWAFHM-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001366001786 895171501 /nfs/dbraw/zinc/17/15/01/895171501.db2.gz DDXJYHXSTWAFHM-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001366001786 895171508 /nfs/dbraw/zinc/17/15/08/895171508.db2.gz DDXJYHXSTWAFHM-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001366001786 895171516 /nfs/dbraw/zinc/17/15/16/895171516.db2.gz DDXJYHXSTWAFHM-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366073005 895182726 /nfs/dbraw/zinc/18/27/26/895182726.db2.gz DSVCPHXUJUVEJL-STQMWFEESA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001366073005 895182731 /nfs/dbraw/zinc/18/27/31/895182731.db2.gz DSVCPHXUJUVEJL-STQMWFEESA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001366073005 895182734 /nfs/dbraw/zinc/18/27/34/895182734.db2.gz DSVCPHXUJUVEJL-STQMWFEESA-N 2 1 296.415 -0.406 20 0 CBADMP CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001366090441 895188523 /nfs/dbraw/zinc/18/85/23/895188523.db2.gz NNKPFPQMKASWRT-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001366121522 895197670 /nfs/dbraw/zinc/19/76/70/895197670.db2.gz BJKAYDMOUDVREI-XYPYZODXSA-N 2 1 280.376 -0.496 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001366146399 895205196 /nfs/dbraw/zinc/20/51/96/895205196.db2.gz AQHPDSQLPHIACG-NTZNESFSSA-N 2 1 296.415 -0.029 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001366155333 895208465 /nfs/dbraw/zinc/20/84/65/895208465.db2.gz IAZKUQXPYWPZQO-TXEJJXNPSA-N 2 1 293.371 -0.483 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001366149915 895209020 /nfs/dbraw/zinc/20/90/20/895209020.db2.gz MOHROVVGSWSLNX-NJMOYASZSA-N 2 1 296.415 -0.302 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001366183921 895216892 /nfs/dbraw/zinc/21/68/92/895216892.db2.gz FYUOSEQPVKWUTO-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](CC(=O)NC)C1 ZINC001366190624 895218119 /nfs/dbraw/zinc/21/81/19/895218119.db2.gz VWUZUPJAEBVLPQ-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001366190624 895218135 /nfs/dbraw/zinc/21/81/35/895218135.db2.gz VWUZUPJAEBVLPQ-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001366190624 895218151 /nfs/dbraw/zinc/21/81/51/895218151.db2.gz VWUZUPJAEBVLPQ-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21)[NH+](C)C ZINC001366237838 895226450 /nfs/dbraw/zinc/22/64/50/895226450.db2.gz DDHASRBHEDECQA-KIJLLGNVSA-N 2 1 296.415 -0.507 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21)[NH+](C)C ZINC001366237838 895226463 /nfs/dbraw/zinc/22/64/63/895226463.db2.gz DDHASRBHEDECQA-KIJLLGNVSA-N 2 1 296.415 -0.507 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001366259931 895241409 /nfs/dbraw/zinc/24/14/09/895241409.db2.gz BHOGALJMQLDUFB-NWDGAFQWSA-N 2 1 284.404 -0.301 20 0 CBADMP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001366304975 895266872 /nfs/dbraw/zinc/26/68/72/895266872.db2.gz ZQFKCYNPQVOGCJ-CMPLNLGQSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001366308012 895267214 /nfs/dbraw/zinc/26/72/14/895267214.db2.gz DZBUDGIOBBRKPS-VXGBXAGGSA-N 2 1 280.376 -0.533 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001366304978 895268858 /nfs/dbraw/zinc/26/88/58/895268858.db2.gz ZQFKCYNPQVOGCJ-ZYHUDNBSSA-N 2 1 282.392 -0.250 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001366330577 895279865 /nfs/dbraw/zinc/27/98/65/895279865.db2.gz USNWPUQQPHYANG-UWVGGRQHSA-N 2 1 283.380 -0.855 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001366334111 895281258 /nfs/dbraw/zinc/28/12/58/895281258.db2.gz LMZNPQONFNGCJB-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001366358225 895288069 /nfs/dbraw/zinc/28/80/69/895288069.db2.gz NPFHODZCHQPVAA-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001366347411 895290970 /nfs/dbraw/zinc/29/09/70/895290970.db2.gz QMEFAJFOMRGLCB-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001366346528 895291289 /nfs/dbraw/zinc/29/12/89/895291289.db2.gz ULMVYQDYDRCSDH-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CCn1ncnc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366385439 895305126 /nfs/dbraw/zinc/30/51/26/895305126.db2.gz JTGCJPAVRJDRMT-LBPRGKRZSA-N 2 1 294.403 -0.060 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001366416836 895317225 /nfs/dbraw/zinc/31/72/25/895317225.db2.gz VBXQCUGHWZCPFX-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCN1CC[C@@H](N(C)CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001366522419 895350636 /nfs/dbraw/zinc/35/06/36/895350636.db2.gz XWJVJOSMFIGZCL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001366522419 895350647 /nfs/dbraw/zinc/35/06/47/895350647.db2.gz XWJVJOSMFIGZCL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001366522419 895350658 /nfs/dbraw/zinc/35/06/58/895350658.db2.gz XWJVJOSMFIGZCL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001366522419 895350677 /nfs/dbraw/zinc/35/06/77/895350677.db2.gz XWJVJOSMFIGZCL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)CN(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001366587738 895393936 /nfs/dbraw/zinc/39/39/36/895393936.db2.gz YDUFEOIDEAOWNZ-LLVKDONJSA-N 2 1 270.377 -0.878 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@H]1CCCNC1=O)[NH+](C)C ZINC001366584699 895398548 /nfs/dbraw/zinc/39/85/48/895398548.db2.gz NAKZJEQQUXJHGE-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O)[NH+](C)C ZINC001366584699 895398566 /nfs/dbraw/zinc/39/85/66/895398566.db2.gz NAKZJEQQUXJHGE-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001366592940 895401210 /nfs/dbraw/zinc/40/12/10/895401210.db2.gz OTDNKWTYBJGRID-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001366592940 895401215 /nfs/dbraw/zinc/40/12/15/895401215.db2.gz OTDNKWTYBJGRID-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCN1CC[C@H]([NH+](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001366592940 895401222 /nfs/dbraw/zinc/40/12/22/895401222.db2.gz OTDNKWTYBJGRID-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCN1CC[C@H]([NH+](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001366592940 895401228 /nfs/dbraw/zinc/40/12/28/895401228.db2.gz OTDNKWTYBJGRID-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)CCN1CCCC1=O ZINC001366589486 895401626 /nfs/dbraw/zinc/40/16/26/895401626.db2.gz YUNAYDKRVKLYDN-UHFFFAOYSA-N 2 1 296.415 -0.247 20 0 CBADMP C[N@H+](CCNC(=O)CCC[NH+]1CCCC1)[C@H]1CCNC1=O ZINC001366596493 895403137 /nfs/dbraw/zinc/40/31/37/895403137.db2.gz OKRXVOVQNHYBKV-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@@H+](CCNC(=O)CCC[NH+]1CCCC1)[C@H]1CCNC1=O ZINC001366596493 895403143 /nfs/dbraw/zinc/40/31/43/895403143.db2.gz OKRXVOVQNHYBKV-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)[C@@H]1CCNC1=O ZINC001366644712 895416544 /nfs/dbraw/zinc/41/65/44/895416544.db2.gz QDKOPDXSMXRKCI-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)[C@@H]1CCNC1=O ZINC001366644712 895416551 /nfs/dbraw/zinc/41/65/51/895416551.db2.gz QDKOPDXSMXRKCI-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)[C@@H]1CCNC1=O ZINC001366644712 895416557 /nfs/dbraw/zinc/41/65/57/895416557.db2.gz QDKOPDXSMXRKCI-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@@H](O)COC ZINC001366639134 895417413 /nfs/dbraw/zinc/41/74/13/895417413.db2.gz FHJLGKHBMRGIKB-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@@H](O)COC ZINC001366639134 895417417 /nfs/dbraw/zinc/41/74/17/895417417.db2.gz FHJLGKHBMRGIKB-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@@H](O)COC ZINC001366639134 895417422 /nfs/dbraw/zinc/41/74/22/895417422.db2.gz FHJLGKHBMRGIKB-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCCN1[C@@H]1CCNC1=O ZINC001366675903 895426212 /nfs/dbraw/zinc/42/62/12/895426212.db2.gz IERRGGOOEGWUDP-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@@H]1CCNC1=O ZINC001366675903 895426221 /nfs/dbraw/zinc/42/62/21/895426221.db2.gz IERRGGOOEGWUDP-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@@H]1CCNC1=O ZINC001366675903 895426231 /nfs/dbraw/zinc/42/62/31/895426231.db2.gz IERRGGOOEGWUDP-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001366675903 895426237 /nfs/dbraw/zinc/42/62/37/895426237.db2.gz IERRGGOOEGWUDP-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001366663618 895426890 /nfs/dbraw/zinc/42/68/90/895426890.db2.gz BCIVKFZUSGGXPN-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC1CCN(CC(=O)NC[C@H]2CCCN2CC(N)=O)CC1 ZINC001366672198 895426999 /nfs/dbraw/zinc/42/69/99/895426999.db2.gz KABRESLRQYWYFK-CYBMUJFWSA-N 2 1 296.415 -0.216 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCCN1[C@H]1CCNC1=O ZINC001366675905 895427348 /nfs/dbraw/zinc/42/73/48/895427348.db2.gz IERRGGOOEGWUDP-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@H]1CCNC1=O ZINC001366675905 895427357 /nfs/dbraw/zinc/42/73/57/895427357.db2.gz IERRGGOOEGWUDP-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@H]1CCNC1=O ZINC001366675905 895427364 /nfs/dbraw/zinc/42/73/64/895427364.db2.gz IERRGGOOEGWUDP-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001366675905 895427371 /nfs/dbraw/zinc/42/73/71/895427371.db2.gz IERRGGOOEGWUDP-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001366663615 895427723 /nfs/dbraw/zinc/42/77/23/895427723.db2.gz BCIVKFZUSGGXPN-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@H](O)C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001366759157 895447397 /nfs/dbraw/zinc/44/73/97/895447397.db2.gz HROLOEIJUUGNHV-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001366759157 895447402 /nfs/dbraw/zinc/44/74/02/895447402.db2.gz HROLOEIJUUGNHV-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366759157 895447405 /nfs/dbraw/zinc/44/74/05/895447405.db2.gz HROLOEIJUUGNHV-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](CCCO)C2CC2)C1 ZINC001366759594 895449388 /nfs/dbraw/zinc/44/93/88/895449388.db2.gz FWGDBKCJEDIEGJ-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](CCCO)C2CC2)C1 ZINC001366759594 895449392 /nfs/dbraw/zinc/44/93/92/895449392.db2.gz FWGDBKCJEDIEGJ-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](CCCO)C2CC2)C1 ZINC001366759594 895449398 /nfs/dbraw/zinc/44/93/98/895449398.db2.gz FWGDBKCJEDIEGJ-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](CCCO)C2CC2)C1 ZINC001366759594 895449403 /nfs/dbraw/zinc/44/94/03/895449403.db2.gz FWGDBKCJEDIEGJ-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)C[N@@H+](C)C1CCC1)C(=O)N(C)C ZINC001366764908 895454588 /nfs/dbraw/zinc/45/45/88/895454588.db2.gz CQUOJHYSWODLMR-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001366893471 895481262 /nfs/dbraw/zinc/48/12/62/895481262.db2.gz PBSWXGFLCHJJGD-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001366893471 895481271 /nfs/dbraw/zinc/48/12/71/895481271.db2.gz PBSWXGFLCHJJGD-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001366894571 895481779 /nfs/dbraw/zinc/48/17/79/895481779.db2.gz ZIQQVEOZVYFWBY-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001366894571 895481783 /nfs/dbraw/zinc/48/17/83/895481783.db2.gz ZIQQVEOZVYFWBY-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(=O)NCC1C[NH+]([C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001366979027 895512006 /nfs/dbraw/zinc/51/20/06/895512006.db2.gz WRGOLTRXIDHKKL-QWHCGFSZSA-N 2 1 296.415 -0.395 20 0 CBADMP COC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001367016534 895530480 /nfs/dbraw/zinc/53/04/80/895530480.db2.gz HVOTYPWOSAJRBS-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001367016534 895530494 /nfs/dbraw/zinc/53/04/94/895530494.db2.gz HVOTYPWOSAJRBS-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001367017709 895531949 /nfs/dbraw/zinc/53/19/49/895531949.db2.gz HDORJGJTTVJZBB-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001367017709 895531955 /nfs/dbraw/zinc/53/19/55/895531955.db2.gz HDORJGJTTVJZBB-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001367017709 895531963 /nfs/dbraw/zinc/53/19/63/895531963.db2.gz HDORJGJTTVJZBB-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001367017709 895531973 /nfs/dbraw/zinc/53/19/73/895531973.db2.gz HDORJGJTTVJZBB-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001367016142 895533324 /nfs/dbraw/zinc/53/33/24/895533324.db2.gz RPWRNWGDQVDMAH-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001367016142 895533329 /nfs/dbraw/zinc/53/33/29/895533329.db2.gz RPWRNWGDQVDMAH-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001367016143 895533433 /nfs/dbraw/zinc/53/34/33/895533433.db2.gz RPWRNWGDQVDMAH-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001367016143 895533449 /nfs/dbraw/zinc/53/34/49/895533449.db2.gz RPWRNWGDQVDMAH-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001367031949 895537482 /nfs/dbraw/zinc/53/74/82/895537482.db2.gz DGOVVGSRPZCUMV-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC001367037126 895540858 /nfs/dbraw/zinc/54/08/58/895540858.db2.gz BIOQANFSYDXXRQ-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC001367037126 895540867 /nfs/dbraw/zinc/54/08/67/895540867.db2.gz BIOQANFSYDXXRQ-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001367037126 895540875 /nfs/dbraw/zinc/54/08/75/895540875.db2.gz BIOQANFSYDXXRQ-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001367037126 895540885 /nfs/dbraw/zinc/54/08/85/895540885.db2.gz BIOQANFSYDXXRQ-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]C[C@@H](C)O ZINC001367122996 895570971 /nfs/dbraw/zinc/57/09/71/895570971.db2.gz JSPBIOFGCWWIGJ-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001367145811 895579384 /nfs/dbraw/zinc/57/93/84/895579384.db2.gz YLPMQGJLRDYQGJ-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001367145811 895579400 /nfs/dbraw/zinc/57/94/00/895579400.db2.gz YLPMQGJLRDYQGJ-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001367216392 895582351 /nfs/dbraw/zinc/58/23/51/895582351.db2.gz UACCLVHEOYUORL-CHWSQXEVSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367242879 895592060 /nfs/dbraw/zinc/59/20/60/895592060.db2.gz XXRFZDXRVDKZAG-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367240902 895593475 /nfs/dbraw/zinc/59/34/75/895593475.db2.gz NQNKFWNIWUVETO-JHJVBQTASA-N 2 1 298.431 -0.195 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001367368179 895626059 /nfs/dbraw/zinc/62/60/59/895626059.db2.gz FRHMFLKYUBHVJE-LLVKDONJSA-N 2 1 295.387 -0.284 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CCC[NH+](C)C ZINC001367382578 895629815 /nfs/dbraw/zinc/62/98/15/895629815.db2.gz JONVMUREQUZGIM-NSHDSACASA-N 2 1 297.407 -0.512 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C(C)C)CC[N@H+]1C ZINC001367464959 895639827 /nfs/dbraw/zinc/63/98/27/895639827.db2.gz MBYFZGZKFVGPNW-YNEHKIRRSA-N 2 1 298.431 -0.068 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001367545246 895656576 /nfs/dbraw/zinc/65/65/76/895656576.db2.gz INMHPUAAHHTEKA-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001367545246 895656583 /nfs/dbraw/zinc/65/65/83/895656583.db2.gz INMHPUAAHHTEKA-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367545246 895656588 /nfs/dbraw/zinc/65/65/88/895656588.db2.gz INMHPUAAHHTEKA-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367545246 895656595 /nfs/dbraw/zinc/65/65/95/895656595.db2.gz INMHPUAAHHTEKA-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@H]1CCNC1=O ZINC001367557478 895661571 /nfs/dbraw/zinc/66/15/71/895661571.db2.gz RWWPJRHAAGHVKA-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@H]1CCNC1=O ZINC001367557478 895661576 /nfs/dbraw/zinc/66/15/76/895661576.db2.gz RWWPJRHAAGHVKA-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O ZINC001367557478 895661580 /nfs/dbraw/zinc/66/15/80/895661580.db2.gz RWWPJRHAAGHVKA-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O ZINC001367557478 895661585 /nfs/dbraw/zinc/66/15/85/895661585.db2.gz RWWPJRHAAGHVKA-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001367599923 895694555 /nfs/dbraw/zinc/69/45/55/895694555.db2.gz CSERSWFSFJFCIE-DGCLKSJQSA-N 2 1 296.371 -0.356 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001367623299 895708466 /nfs/dbraw/zinc/70/84/66/895708466.db2.gz JFNHBIAMZXOBHM-PWSUYJOCSA-N 2 1 282.344 -0.807 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001367623299 895708480 /nfs/dbraw/zinc/70/84/80/895708480.db2.gz JFNHBIAMZXOBHM-PWSUYJOCSA-N 2 1 282.344 -0.807 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001367625270 895712970 /nfs/dbraw/zinc/71/29/70/895712970.db2.gz DPVCBYMYXYZGQC-QWHCGFSZSA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001367625262 895713387 /nfs/dbraw/zinc/71/33/87/895713387.db2.gz DPVCBYMYXYZGQC-CHWSQXEVSA-N 2 1 287.404 -0.570 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001367646020 895719605 /nfs/dbraw/zinc/71/96/05/895719605.db2.gz YNZCHCMMIIQPSO-VXGBXAGGSA-N 2 1 286.420 -0.055 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001367646015 895720304 /nfs/dbraw/zinc/72/03/04/895720304.db2.gz YNZCHCMMIIQPSO-RYUDHWBXSA-N 2 1 286.420 -0.055 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(C)C ZINC001367771191 895802318 /nfs/dbraw/zinc/80/23/18/895802318.db2.gz GTWIIDBZLCBFQK-NSHDSACASA-N 2 1 295.387 -0.190 20 0 CBADMP C[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001367840840 895826832 /nfs/dbraw/zinc/82/68/32/895826832.db2.gz ZSNVHCVGFWYFCP-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001367840840 895826840 /nfs/dbraw/zinc/82/68/40/895826840.db2.gz ZSNVHCVGFWYFCP-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001367840838 895830219 /nfs/dbraw/zinc/83/02/19/895830219.db2.gz ZSNVHCVGFWYFCP-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001367840838 895830229 /nfs/dbraw/zinc/83/02/29/895830229.db2.gz ZSNVHCVGFWYFCP-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367852331 895834537 /nfs/dbraw/zinc/83/45/37/895834537.db2.gz RPWPGKOPJJHWPB-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367852331 895834540 /nfs/dbraw/zinc/83/45/40/895834540.db2.gz RPWPGKOPJJHWPB-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001367897873 895851290 /nfs/dbraw/zinc/85/12/90/895851290.db2.gz SZNLPAMKKVZPCF-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001367990775 895880683 /nfs/dbraw/zinc/88/06/83/895880683.db2.gz LRNSWEZUKPWVKR-NEPJUHHUSA-N 2 1 285.388 -0.674 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1)C(=O)N(C)C ZINC001367993910 895881682 /nfs/dbraw/zinc/88/16/82/895881682.db2.gz XETPRPIJVQPCGW-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001368108171 895915354 /nfs/dbraw/zinc/91/53/54/895915354.db2.gz ZOOKFUYWKDVIIG-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)Cc1ncc[nH]1 ZINC001452668088 914015984 /nfs/dbraw/zinc/01/59/84/914015984.db2.gz LSLDAVGIDGHBCD-LLVKDONJSA-N 2 1 295.387 -0.085 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001368235312 895933676 /nfs/dbraw/zinc/93/36/76/895933676.db2.gz AFBRYCNODJNZEA-ZDUSSCGKSA-N 2 1 299.415 -0.425 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)CC1 ZINC001368267502 895954102 /nfs/dbraw/zinc/95/41/02/895954102.db2.gz WCMUZOWTICKLOV-OAHLLOKOSA-N 2 1 299.415 -0.736 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001368536728 896029173 /nfs/dbraw/zinc/02/91/73/896029173.db2.gz MYZXMVODZXHSHG-ZDEQEGDKSA-N 2 1 296.415 -0.443 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001368565123 896037280 /nfs/dbraw/zinc/03/72/80/896037280.db2.gz DDMHHFVFDXVOOG-JHJVBQTASA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001368568398 896038771 /nfs/dbraw/zinc/03/87/71/896038771.db2.gz WIQRQAHEHSAYNH-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001368568398 896038781 /nfs/dbraw/zinc/03/87/81/896038781.db2.gz WIQRQAHEHSAYNH-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001368568398 896038785 /nfs/dbraw/zinc/03/87/85/896038785.db2.gz WIQRQAHEHSAYNH-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001368606138 896043732 /nfs/dbraw/zinc/04/37/32/896043732.db2.gz FRUKKKRCINVGMT-JHJVBQTASA-N 2 1 298.431 -0.055 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001368641398 896051747 /nfs/dbraw/zinc/05/17/47/896051747.db2.gz PRYOQBTZFOTWLV-NWDGAFQWSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001368662511 896055166 /nfs/dbraw/zinc/05/51/66/896055166.db2.gz XELORNXOBATUOM-GHMZBOCLSA-N 2 1 295.391 -0.902 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)C1 ZINC001368656348 896056150 /nfs/dbraw/zinc/05/61/50/896056150.db2.gz OMJOFFDRFPCASV-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001368679926 896060588 /nfs/dbraw/zinc/06/05/88/896060588.db2.gz ZFAMLLHMSNTQOE-OLZOCXBDSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001368817902 896088079 /nfs/dbraw/zinc/08/80/79/896088079.db2.gz HEMJKXZXLXIWNV-UNXYVOJBSA-N 2 1 282.388 -0.702 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC(C[NH2+][C@H](C)C(N)=O)C1 ZINC001368823983 896092908 /nfs/dbraw/zinc/09/29/08/896092908.db2.gz RTTCFCCQSMSESF-VOMCLLRMSA-N 2 1 284.404 -0.314 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001368983395 896129405 /nfs/dbraw/zinc/12/94/05/896129405.db2.gz ZYPIISPSRXNAKR-WCQYABFASA-N 2 1 286.420 -0.245 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001368983395 896129411 /nfs/dbraw/zinc/12/94/11/896129411.db2.gz ZYPIISPSRXNAKR-WCQYABFASA-N 2 1 286.420 -0.245 20 0 CBADMP COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001368988263 896132794 /nfs/dbraw/zinc/13/27/94/896132794.db2.gz QVNQFCKHOYUUJG-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001368988263 896132799 /nfs/dbraw/zinc/13/27/99/896132799.db2.gz QVNQFCKHOYUUJG-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001368988263 896132805 /nfs/dbraw/zinc/13/28/05/896132805.db2.gz QVNQFCKHOYUUJG-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H](C)O)C2)C1 ZINC001369186792 896167284 /nfs/dbraw/zinc/16/72/84/896167284.db2.gz SJLBTYKRHJSCDA-XDQVBPFNSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H](C)O)C2)C1 ZINC001369186792 896167288 /nfs/dbraw/zinc/16/72/88/896167288.db2.gz SJLBTYKRHJSCDA-XDQVBPFNSA-N 2 1 299.415 -0.428 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)CC(=O)NC)CC1 ZINC001369188849 896168302 /nfs/dbraw/zinc/16/83/02/896168302.db2.gz FSFPZQWMCAMLKJ-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)CC(=O)NC)CC1 ZINC001369188849 896168305 /nfs/dbraw/zinc/16/83/05/896168305.db2.gz FSFPZQWMCAMLKJ-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)CC(=O)NC)CC1 ZINC001369188849 896168315 /nfs/dbraw/zinc/16/83/15/896168315.db2.gz FSFPZQWMCAMLKJ-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001452819626 914041577 /nfs/dbraw/zinc/04/15/77/914041577.db2.gz ZXYLXGPDIZJFSL-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1nocc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001369319398 896213042 /nfs/dbraw/zinc/21/30/42/896213042.db2.gz LGSDJLSAEACDQP-STQMWFEESA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1nocc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001369319398 896213058 /nfs/dbraw/zinc/21/30/58/896213058.db2.gz LGSDJLSAEACDQP-STQMWFEESA-N 2 1 296.371 -0.356 20 0 CBADMP C[C@H]1[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CC[NH+](C)C ZINC001369396774 896255919 /nfs/dbraw/zinc/25/59/19/896255919.db2.gz SRDKMMZYMVSPNF-WCQYABFASA-N 2 1 294.403 -0.154 20 0 CBADMP COC[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001369479451 896288917 /nfs/dbraw/zinc/28/89/17/896288917.db2.gz DXEYTOSCSKPPLP-WCQYABFASA-N 2 1 298.387 -0.365 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]C[C@H](C)O ZINC001369488946 896290388 /nfs/dbraw/zinc/29/03/88/896290388.db2.gz LIHUEOFNTWJSHU-NWDGAFQWSA-N 2 1 275.393 -0.884 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001369843936 896352537 /nfs/dbraw/zinc/35/25/37/896352537.db2.gz NIDGTAOFNNIFRV-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001370614048 896445650 /nfs/dbraw/zinc/44/56/50/896445650.db2.gz PKQSGWVLOHQLDO-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001370719279 896487055 /nfs/dbraw/zinc/48/70/55/896487055.db2.gz ZZESWDAPABHHAL-RVMXOQNASA-N 2 1 285.388 -0.818 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001370710988 896487134 /nfs/dbraw/zinc/48/71/34/896487134.db2.gz ILAMFZNYICBFSH-FRRDWIJNSA-N 2 1 296.415 -0.156 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001370780042 896495130 /nfs/dbraw/zinc/49/51/30/896495130.db2.gz GQWBZBZKLZUYTQ-CQSZACIVSA-N 2 1 299.415 -0.471 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001370780042 896495133 /nfs/dbraw/zinc/49/51/33/896495133.db2.gz GQWBZBZKLZUYTQ-CQSZACIVSA-N 2 1 299.415 -0.471 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(=O)NC1CC1 ZINC001371214942 896576649 /nfs/dbraw/zinc/57/66/49/896576649.db2.gz WLIPLDFKDBIKGY-NSHDSACASA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CCn1cncn1 ZINC001371213333 896577654 /nfs/dbraw/zinc/57/76/54/896577654.db2.gz QKJDPVAORHTJKA-LBPRGKRZSA-N 2 1 294.403 -0.143 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)NCc1nnnn1C ZINC001371235630 896581621 /nfs/dbraw/zinc/58/16/21/896581621.db2.gz JQEIHCCLXHBGKN-MNOVXSKESA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCCCN1C)NCc1nnnn1C ZINC001371235630 896581631 /nfs/dbraw/zinc/58/16/31/896581631.db2.gz JQEIHCCLXHBGKN-MNOVXSKESA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001371361725 896598413 /nfs/dbraw/zinc/59/84/13/896598413.db2.gz GORGCPCHIYQSLF-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1cnnn1C ZINC001371476208 896618753 /nfs/dbraw/zinc/61/87/53/896618753.db2.gz VNXDLDNCDZIJDR-JTQLQIEISA-N 2 1 291.359 -0.385 20 0 CBADMP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH2+]CC(N)=O ZINC001371474235 896620753 /nfs/dbraw/zinc/62/07/53/896620753.db2.gz MHRDYVZSCVSQFT-FZMZJTMJSA-N 2 1 292.383 -0.131 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001371572953 896639157 /nfs/dbraw/zinc/63/91/57/896639157.db2.gz WZOJFUGEALSIBT-NWDGAFQWSA-N 2 1 293.371 -0.497 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001371608822 896641764 /nfs/dbraw/zinc/64/17/64/896641764.db2.gz ADMLTCBSMKQMHE-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001371661228 896647049 /nfs/dbraw/zinc/64/70/49/896647049.db2.gz UXEAEEFSDSYQLM-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001371876341 896673571 /nfs/dbraw/zinc/67/35/71/896673571.db2.gz HROISEVUYMYQGM-RYUDHWBXSA-N 2 1 296.415 -0.299 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001372010001 896707887 /nfs/dbraw/zinc/70/78/87/896707887.db2.gz VNVXHRZTLZNKEV-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001372010001 896707899 /nfs/dbraw/zinc/70/78/99/896707899.db2.gz VNVXHRZTLZNKEV-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001372010001 896707911 /nfs/dbraw/zinc/70/79/11/896707911.db2.gz VNVXHRZTLZNKEV-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC)[NH+](C)C ZINC001372108103 896729148 /nfs/dbraw/zinc/72/91/48/896729148.db2.gz LBROQSWYZIRTQV-QWRGUYRKSA-N 2 1 272.393 -0.491 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC)[NH+](C)C ZINC001372108103 896729167 /nfs/dbraw/zinc/72/91/67/896729167.db2.gz LBROQSWYZIRTQV-QWRGUYRKSA-N 2 1 272.393 -0.491 20 0 CBADMP CN1CCC[C@H]([N@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001372146856 896735492 /nfs/dbraw/zinc/73/54/92/896735492.db2.gz CHXHIEFOZOQJAJ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CN1CCC[C@H]([N@@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001372146856 896735506 /nfs/dbraw/zinc/73/55/06/896735506.db2.gz CHXHIEFOZOQJAJ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCN(CC)C1=O ZINC001372194137 896743427 /nfs/dbraw/zinc/74/34/27/896743427.db2.gz ZMUQDTPWDGOVQV-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCN(CC)C1=O ZINC001372194137 896743436 /nfs/dbraw/zinc/74/34/36/896743436.db2.gz ZMUQDTPWDGOVQV-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@@H]1CCN(CC)C1=O ZINC001372194137 896743442 /nfs/dbraw/zinc/74/34/42/896743442.db2.gz ZMUQDTPWDGOVQV-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H]1CCN(CC)C1=O ZINC001372194137 896743452 /nfs/dbraw/zinc/74/34/52/896743452.db2.gz ZMUQDTPWDGOVQV-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001372301144 896768786 /nfs/dbraw/zinc/76/87/86/896768786.db2.gz IEROHRZJSLPRJF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001372631447 896831510 /nfs/dbraw/zinc/83/15/10/896831510.db2.gz XDUDTPBHROOWEW-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001372682973 896837783 /nfs/dbraw/zinc/83/77/83/896837783.db2.gz QKDYTPUDKOVHQM-NSHDSACASA-N 2 1 270.377 -0.750 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001372682973 896837793 /nfs/dbraw/zinc/83/77/93/896837793.db2.gz QKDYTPUDKOVHQM-NSHDSACASA-N 2 1 270.377 -0.750 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001372682973 896837797 /nfs/dbraw/zinc/83/77/97/896837797.db2.gz QKDYTPUDKOVHQM-NSHDSACASA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001372855918 896891283 /nfs/dbraw/zinc/89/12/83/896891283.db2.gz AXAZGDOWGYDXHL-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001372919072 896903212 /nfs/dbraw/zinc/90/32/12/896903212.db2.gz DNINQBPWUQSBRS-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001372945010 896906480 /nfs/dbraw/zinc/90/64/80/896906480.db2.gz JNRCJRRGRMREKP-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001372953838 896911782 /nfs/dbraw/zinc/91/17/82/896911782.db2.gz ZPMOVPBNQRPVLN-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1nnnn1C ZINC001372985489 896919690 /nfs/dbraw/zinc/91/96/90/896919690.db2.gz BLJPFQGBDXGHGI-WDEREUQCSA-N 2 1 295.391 -0.729 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)c1nnnn1C ZINC001372985489 896919695 /nfs/dbraw/zinc/91/96/95/896919695.db2.gz BLJPFQGBDXGHGI-WDEREUQCSA-N 2 1 295.391 -0.729 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]([NH2+]CC(N)=O)c1ccccc1 ZINC001373039175 896933022 /nfs/dbraw/zinc/93/30/22/896933022.db2.gz VOGDBXAZLXHVFN-ZDUSSCGKSA-N 2 1 292.383 -0.130 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(N)=O ZINC001373079492 896937641 /nfs/dbraw/zinc/93/76/41/896937641.db2.gz HLXAHIJKMDRSJQ-UPJWGTAASA-N 2 1 296.415 -0.123 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=O)NC ZINC001373079887 896939374 /nfs/dbraw/zinc/93/93/74/896939374.db2.gz IBOHISFIRPNCAS-BETUJISGSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001373195193 896955495 /nfs/dbraw/zinc/95/54/95/896955495.db2.gz KMHANBZHVARKJY-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373195193 896955508 /nfs/dbraw/zinc/95/55/08/896955508.db2.gz KMHANBZHVARKJY-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373195193 896955515 /nfs/dbraw/zinc/95/55/15/896955515.db2.gz KMHANBZHVARKJY-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001373341675 896972215 /nfs/dbraw/zinc/97/22/15/896972215.db2.gz FCCUDBWCQZPXNX-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP CN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001373380467 896990414 /nfs/dbraw/zinc/99/04/14/896990414.db2.gz BRMLZEWONSFEAR-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001373380467 896990420 /nfs/dbraw/zinc/99/04/20/896990420.db2.gz BRMLZEWONSFEAR-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001373394212 896994133 /nfs/dbraw/zinc/99/41/33/896994133.db2.gz VYTSFSXNPFMXLI-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001373394215 896996689 /nfs/dbraw/zinc/99/66/89/896996689.db2.gz VYTSFSXNPFMXLI-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@H](C(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001373513359 897038544 /nfs/dbraw/zinc/03/85/44/897038544.db2.gz ADCQTVHIFMCUSC-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP CN1CCC[C@@H]([N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001373600228 897062816 /nfs/dbraw/zinc/06/28/16/897062816.db2.gz CKGOAIFJRDDWCS-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001373612798 897069297 /nfs/dbraw/zinc/06/92/97/897069297.db2.gz AAJHKJZVKCYBKU-AGIUHOORSA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001373612798 897069314 /nfs/dbraw/zinc/06/93/14/897069314.db2.gz AAJHKJZVKCYBKU-AGIUHOORSA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001373612798 897069330 /nfs/dbraw/zinc/06/93/30/897069330.db2.gz AAJHKJZVKCYBKU-AGIUHOORSA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001373608265 897069994 /nfs/dbraw/zinc/06/99/94/897069994.db2.gz HFRHDPQTKWMJLZ-STQMWFEESA-N 2 1 297.399 -0.720 20 0 CBADMP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001373680160 897097594 /nfs/dbraw/zinc/09/75/94/897097594.db2.gz DDXYUTQXZLWMLO-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001373680160 897097600 /nfs/dbraw/zinc/09/76/00/897097600.db2.gz DDXYUTQXZLWMLO-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373709528 897100698 /nfs/dbraw/zinc/10/06/98/897100698.db2.gz SWEVBUIJBFJZGF-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373709528 897100707 /nfs/dbraw/zinc/10/07/07/897100707.db2.gz SWEVBUIJBFJZGF-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374282447 897208632 /nfs/dbraw/zinc/20/86/32/897208632.db2.gz PTTYIRZMQZDGEQ-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001374319686 897211471 /nfs/dbraw/zinc/21/14/71/897211471.db2.gz IHEZNBWCSKQZEH-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001374530608 897249968 /nfs/dbraw/zinc/24/99/68/897249968.db2.gz PLBIELMKHXTRLN-UHFFFAOYSA-N 2 1 286.420 -0.193 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001374530608 897249984 /nfs/dbraw/zinc/24/99/84/897249984.db2.gz PLBIELMKHXTRLN-UHFFFAOYSA-N 2 1 286.420 -0.193 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001374539337 897253910 /nfs/dbraw/zinc/25/39/10/897253910.db2.gz ZSYUNYPBDMCIPK-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001374539337 897253925 /nfs/dbraw/zinc/25/39/25/897253925.db2.gz ZSYUNYPBDMCIPK-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374539337 897253939 /nfs/dbraw/zinc/25/39/39/897253939.db2.gz ZSYUNYPBDMCIPK-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374539337 897253957 /nfs/dbraw/zinc/25/39/57/897253957.db2.gz ZSYUNYPBDMCIPK-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001374560717 897259749 /nfs/dbraw/zinc/25/97/49/897259749.db2.gz DYVNUJPAOSHUTL-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCC2)C1 ZINC001374586015 897282704 /nfs/dbraw/zinc/28/27/04/897282704.db2.gz FDTFUZNAQHCJEL-QWHCGFSZSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCC2)C1 ZINC001374586015 897282716 /nfs/dbraw/zinc/28/27/16/897282716.db2.gz FDTFUZNAQHCJEL-QWHCGFSZSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001374637185 897322772 /nfs/dbraw/zinc/32/27/72/897322772.db2.gz NTOJJECCGIASOY-DGCLKSJQSA-N 2 1 280.372 -0.159 20 0 CBADMP CC[NH+](CC)CC(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001374652480 897329940 /nfs/dbraw/zinc/32/99/40/897329940.db2.gz UHRVXXGIALBLTP-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP O=C(NC[C@H](O)C[NH2+]CC1CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001374674392 897336986 /nfs/dbraw/zinc/33/69/86/897336986.db2.gz FCJKLWKZNBHYND-HIFRSBDPSA-N 2 1 281.400 -0.051 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nonc1C)[NH+](C)C ZINC001374670910 897338912 /nfs/dbraw/zinc/33/89/12/897338912.db2.gz NBWDPGVXEGSEPC-PWSUYJOCSA-N 2 1 299.375 -0.715 20 0 CBADMP CCN(CC[NH2+][C@H](C)c1nnnn1C)C(=O)CC[NH+](C)C ZINC001374747546 897370169 /nfs/dbraw/zinc/37/01/69/897370169.db2.gz BVJJKZRYUXGJND-LLVKDONJSA-N 2 1 297.407 -0.339 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001374774187 897384131 /nfs/dbraw/zinc/38/41/31/897384131.db2.gz DOODHAQYSLWDPH-AGIUHOORSA-N 2 1 287.404 -0.428 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001374789423 897392598 /nfs/dbraw/zinc/39/25/98/897392598.db2.gz HTYQGEFIHIIPDW-PWSUYJOCSA-N 2 1 284.360 -0.707 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001374814905 897400939 /nfs/dbraw/zinc/40/09/39/897400939.db2.gz USWTYBIEFAGHOY-SNVBAGLBSA-N 2 1 272.393 -0.456 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374811371 897398688 /nfs/dbraw/zinc/39/86/88/897398688.db2.gz VFQXLJQYSGWURJ-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374811371 897398705 /nfs/dbraw/zinc/39/87/05/897398705.db2.gz VFQXLJQYSGWURJ-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1cnon1)NC(=O)C12CC[NH+](CC1)C2 ZINC001374835390 897406733 /nfs/dbraw/zinc/40/67/33/897406733.db2.gz SXFKQAUEHYKPSL-SNVBAGLBSA-N 2 1 279.344 -0.240 20 0 CBADMP CCn1ncnc1CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374844034 897406949 /nfs/dbraw/zinc/40/69/49/897406949.db2.gz WFKDECXABDATKG-VXGBXAGGSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374844034 897406959 /nfs/dbraw/zinc/40/69/59/897406959.db2.gz WFKDECXABDATKG-VXGBXAGGSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374844034 897406966 /nfs/dbraw/zinc/40/69/66/897406966.db2.gz WFKDECXABDATKG-VXGBXAGGSA-N 2 1 294.403 -0.156 20 0 CBADMP C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001375074810 897471978 /nfs/dbraw/zinc/47/19/78/897471978.db2.gz RPCPLRLYORFSFO-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001375074810 897471986 /nfs/dbraw/zinc/47/19/86/897471986.db2.gz RPCPLRLYORFSFO-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001375131314 897484247 /nfs/dbraw/zinc/48/42/47/897484247.db2.gz CIIHVRDSBAUGEI-NEPJUHHUSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001375131314 897484255 /nfs/dbraw/zinc/48/42/55/897484255.db2.gz CIIHVRDSBAUGEI-NEPJUHHUSA-N 2 1 294.399 -0.593 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH2+][C@H](C)C(N)=O)C1CC1 ZINC001375277130 897505916 /nfs/dbraw/zinc/50/59/16/897505916.db2.gz JYKAUEJATMZFJS-ZYHUDNBSSA-N 2 1 284.404 -0.315 20 0 CBADMP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001375405078 897537137 /nfs/dbraw/zinc/53/71/37/897537137.db2.gz SQTIWSCQZGGCNJ-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001375513935 897558611 /nfs/dbraw/zinc/55/86/11/897558611.db2.gz SEYVCENKQSBQSU-TXEJJXNPSA-N 2 1 284.404 -0.441 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001375720947 897595336 /nfs/dbraw/zinc/59/53/36/897595336.db2.gz SYJKIGCEJVWSGB-JSGCOSHPSA-N 2 1 299.415 -0.522 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001375720947 897595351 /nfs/dbraw/zinc/59/53/51/897595351.db2.gz SYJKIGCEJVWSGB-JSGCOSHPSA-N 2 1 299.415 -0.522 20 0 CBADMP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001375759109 897604410 /nfs/dbraw/zinc/60/44/10/897604410.db2.gz ZEHTVWFYQJPGHF-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001375764651 897604423 /nfs/dbraw/zinc/60/44/23/897604423.db2.gz ZRVHNMLRRQCPOF-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP O=C(NC[C@]1(O)CC[N@H+](CCF)C1)C12CC[NH+](CC1)C2 ZINC001376085843 897650118 /nfs/dbraw/zinc/65/01/18/897650118.db2.gz CSIUIKSBKTVAFY-CQSZACIVSA-N 2 1 285.363 -0.395 20 0 CBADMP O=C(NC[C@]1(O)CC[N@@H+](CCF)C1)C12CC[NH+](CC1)C2 ZINC001376085843 897650128 /nfs/dbraw/zinc/65/01/28/897650128.db2.gz CSIUIKSBKTVAFY-CQSZACIVSA-N 2 1 285.363 -0.395 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376151046 897676009 /nfs/dbraw/zinc/67/60/09/897676009.db2.gz LTCJHXLNJZNXOP-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376151046 897676013 /nfs/dbraw/zinc/67/60/13/897676013.db2.gz LTCJHXLNJZNXOP-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376418701 897730776 /nfs/dbraw/zinc/73/07/76/897730776.db2.gz RZJUGWOETVIYBM-JHJVBQTASA-N 2 1 296.415 -0.299 20 0 CBADMP COCC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001376477056 897754311 /nfs/dbraw/zinc/75/43/11/897754311.db2.gz DUKMRUBBGUOXHO-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ncnn1C ZINC001376735720 897829153 /nfs/dbraw/zinc/82/91/53/897829153.db2.gz BFRXBXCGBGDRST-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ncnn1C ZINC001376735720 897829157 /nfs/dbraw/zinc/82/91/57/897829157.db2.gz BFRXBXCGBGDRST-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001376741787 897831114 /nfs/dbraw/zinc/83/11/14/897831114.db2.gz ABTNVFITHFVDPN-LBPRGKRZSA-N 2 1 296.415 -0.025 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001376767239 897839385 /nfs/dbraw/zinc/83/93/85/897839385.db2.gz UKXNDPTZEUEPCK-DGCLKSJQSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CCn1cncn1 ZINC001376802129 897849481 /nfs/dbraw/zinc/84/94/81/897849481.db2.gz OXLCVKIHWBCWDD-QWHCGFSZSA-N 2 1 294.403 -0.286 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CCn1cncn1 ZINC001376802126 897850291 /nfs/dbraw/zinc/85/02/91/897850291.db2.gz OXLCVKIHWBCWDD-OLZOCXBDSA-N 2 1 294.403 -0.286 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001376815152 897857921 /nfs/dbraw/zinc/85/79/21/897857921.db2.gz ZQFKCYNPQVOGCJ-PWSUYJOCSA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001376871925 897875965 /nfs/dbraw/zinc/87/59/65/897875965.db2.gz ZSKCHWYSKRQDLN-STQMWFEESA-N 2 1 287.404 -0.476 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001376871087 897877574 /nfs/dbraw/zinc/87/75/74/897877574.db2.gz YHTIDESYZOZSJZ-CMPLNLGQSA-N 2 1 293.371 -0.483 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nncn1C ZINC001376884803 897881368 /nfs/dbraw/zinc/88/13/68/897881368.db2.gz UYFUMKRSDUDJCJ-NSHDSACASA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nncn1C ZINC001376884803 897881374 /nfs/dbraw/zinc/88/13/74/897881374.db2.gz UYFUMKRSDUDJCJ-NSHDSACASA-N 2 1 282.392 -0.250 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001376910865 897890551 /nfs/dbraw/zinc/89/05/51/897890551.db2.gz OWMOKEDGPJWZRD-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001376910865 897890558 /nfs/dbraw/zinc/89/05/58/897890558.db2.gz OWMOKEDGPJWZRD-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001376910865 897890562 /nfs/dbraw/zinc/89/05/62/897890562.db2.gz OWMOKEDGPJWZRD-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001376914301 897892158 /nfs/dbraw/zinc/89/21/58/897892158.db2.gz KRLPVIMVBOVJDQ-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001376933618 897894662 /nfs/dbraw/zinc/89/46/62/897894662.db2.gz WBPRMHRCQIOZKO-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001376967813 897904644 /nfs/dbraw/zinc/90/46/44/897904644.db2.gz WKCXNRSMVUACEC-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001376967813 897904653 /nfs/dbraw/zinc/90/46/53/897904653.db2.gz WKCXNRSMVUACEC-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001376967813 897904665 /nfs/dbraw/zinc/90/46/65/897904665.db2.gz WKCXNRSMVUACEC-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001377101778 897929426 /nfs/dbraw/zinc/92/94/26/897929426.db2.gz BWEOSCLOTATSJO-NSHDSACASA-N 2 1 295.387 -0.188 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001377101776 897929596 /nfs/dbraw/zinc/92/95/96/897929596.db2.gz BWEOSCLOTATSJO-LLVKDONJSA-N 2 1 295.387 -0.188 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001377130311 897940593 /nfs/dbraw/zinc/94/05/93/897940593.db2.gz NVTHYPLTZMZYHA-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001377130311 897940597 /nfs/dbraw/zinc/94/05/97/897940597.db2.gz NVTHYPLTZMZYHA-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001377130311 897940600 /nfs/dbraw/zinc/94/06/00/897940600.db2.gz NVTHYPLTZMZYHA-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001377130311 897940605 /nfs/dbraw/zinc/94/06/05/897940605.db2.gz NVTHYPLTZMZYHA-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)CCN1CCCC1=O)[NH+](C)C ZINC001377224115 897975014 /nfs/dbraw/zinc/97/50/14/897975014.db2.gz VQZMIDAUNXUWGS-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CO[C@H](C)C[N@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001377235389 897979921 /nfs/dbraw/zinc/97/99/21/897979921.db2.gz MFUZXMRVCZTOII-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CO[C@H](C)C[N@@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001377235389 897979937 /nfs/dbraw/zinc/97/99/37/897979937.db2.gz MFUZXMRVCZTOII-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CN1CCC[C@H]([N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001377261330 897987953 /nfs/dbraw/zinc/98/79/53/897987953.db2.gz OETFMAJLTPEOLV-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CCC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001377261330 897987969 /nfs/dbraw/zinc/98/79/69/897987969.db2.gz OETFMAJLTPEOLV-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CCC[C@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001377261330 897987985 /nfs/dbraw/zinc/98/79/85/897987985.db2.gz OETFMAJLTPEOLV-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CCC[C@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001377261330 897988003 /nfs/dbraw/zinc/98/80/03/897988003.db2.gz OETFMAJLTPEOLV-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001377266628 897993016 /nfs/dbraw/zinc/99/30/16/897993016.db2.gz OFKINYBFBZGSMC-QWHCGFSZSA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001377458093 898053174 /nfs/dbraw/zinc/05/31/74/898053174.db2.gz WUVFNGBUKFPZRH-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001377545197 898079931 /nfs/dbraw/zinc/07/99/31/898079931.db2.gz GFXSOQNZIKFTLS-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001377545197 898079940 /nfs/dbraw/zinc/07/99/40/898079940.db2.gz GFXSOQNZIKFTLS-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001377578061 898093453 /nfs/dbraw/zinc/09/34/53/898093453.db2.gz LPRJSMQCEKLVPZ-UHFFFAOYSA-N 2 1 287.404 -0.738 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O ZINC001377588463 898097908 /nfs/dbraw/zinc/09/79/08/898097908.db2.gz NBVYGPCUIULWOV-LBPRGKRZSA-N 2 1 293.371 -0.530 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001377599720 898103457 /nfs/dbraw/zinc/10/34/57/898103457.db2.gz HLJOTAJITBKPEF-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001377597083 898103603 /nfs/dbraw/zinc/10/36/03/898103603.db2.gz JGBYHVFAXOYJSW-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001377595424 898103778 /nfs/dbraw/zinc/10/37/78/898103778.db2.gz QZXXWGSQVCJJIQ-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001377713442 898120294 /nfs/dbraw/zinc/12/02/94/898120294.db2.gz XTSYKAMZOMGCLL-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001377717979 898121935 /nfs/dbraw/zinc/12/19/35/898121935.db2.gz VSWRVRJQNBKVNN-BPCQOVAHSA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001377756302 898127636 /nfs/dbraw/zinc/12/76/36/898127636.db2.gz BARVEJBJFGOTJQ-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001377840347 898147162 /nfs/dbraw/zinc/14/71/62/898147162.db2.gz OWCSWCWRHPHFGO-MNOVXSKESA-N 2 1 297.407 -0.465 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001377866475 898153012 /nfs/dbraw/zinc/15/30/12/898153012.db2.gz JCSONIABPDSKBZ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377866475 898153015 /nfs/dbraw/zinc/15/30/15/898153015.db2.gz JCSONIABPDSKBZ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377866475 898153023 /nfs/dbraw/zinc/15/30/23/898153023.db2.gz JCSONIABPDSKBZ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC(=O)N(C)C ZINC001378020072 898204820 /nfs/dbraw/zinc/20/48/20/898204820.db2.gz KULAVGAYGVQZLY-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)CC(=O)N(C)C ZINC001378020072 898204834 /nfs/dbraw/zinc/20/48/34/898204834.db2.gz KULAVGAYGVQZLY-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)CC(=O)N(C)C ZINC001378020072 898204840 /nfs/dbraw/zinc/20/48/40/898204840.db2.gz KULAVGAYGVQZLY-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)CC(=O)N(C)C ZINC001378020072 898204851 /nfs/dbraw/zinc/20/48/51/898204851.db2.gz KULAVGAYGVQZLY-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001378081407 898225698 /nfs/dbraw/zinc/22/56/98/898225698.db2.gz RNKYWSPMZMLAPU-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001378081407 898225711 /nfs/dbraw/zinc/22/57/11/898225711.db2.gz RNKYWSPMZMLAPU-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001378081407 898225723 /nfs/dbraw/zinc/22/57/23/898225723.db2.gz RNKYWSPMZMLAPU-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC001378084771 898229686 /nfs/dbraw/zinc/22/96/86/898229686.db2.gz BIOQANFSYDXXRQ-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC001378084771 898229706 /nfs/dbraw/zinc/22/97/06/898229706.db2.gz BIOQANFSYDXXRQ-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001378084771 898229724 /nfs/dbraw/zinc/22/97/24/898229724.db2.gz BIOQANFSYDXXRQ-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001378084771 898229740 /nfs/dbraw/zinc/22/97/40/898229740.db2.gz BIOQANFSYDXXRQ-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)N(C)CC(=O)N1CCC1 ZINC001378108782 898238043 /nfs/dbraw/zinc/23/80/43/898238043.db2.gz BIWHTKAGEXITDM-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CC(=O)N1CCC1 ZINC001378108782 898238067 /nfs/dbraw/zinc/23/80/67/898238067.db2.gz BIWHTKAGEXITDM-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CC(=O)N1CCC1 ZINC001378108782 898238083 /nfs/dbraw/zinc/23/80/83/898238083.db2.gz BIWHTKAGEXITDM-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CC(=O)N1CCC1 ZINC001378108782 898238098 /nfs/dbraw/zinc/23/80/98/898238098.db2.gz BIWHTKAGEXITDM-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](CC)C(N)=O)C1)[NH+](C)C ZINC001378111191 898238342 /nfs/dbraw/zinc/23/83/42/898238342.db2.gz GUWXGNXPPHKEIW-IJLUTSLNSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H](CC)C(N)=O)C1)[NH+](C)C ZINC001378111191 898238355 /nfs/dbraw/zinc/23/83/55/898238355.db2.gz GUWXGNXPPHKEIW-IJLUTSLNSA-N 2 1 284.404 -0.219 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001378117042 898238449 /nfs/dbraw/zinc/23/84/49/898238449.db2.gz VAXDTIZQUQOCQA-GFCCVEGCSA-N 2 1 297.403 -0.846 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)CC)C1)[NH+](C)C ZINC001378131162 898247843 /nfs/dbraw/zinc/24/78/43/898247843.db2.gz UPWFOKQZDYXFOB-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)CC)C1)[NH+](C)C ZINC001378131162 898247859 /nfs/dbraw/zinc/24/78/59/898247859.db2.gz UPWFOKQZDYXFOB-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001378136848 898251328 /nfs/dbraw/zinc/25/13/28/898251328.db2.gz BFOGRMTZRGYGEZ-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001378136848 898251347 /nfs/dbraw/zinc/25/13/47/898251347.db2.gz BFOGRMTZRGYGEZ-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001378136848 898251366 /nfs/dbraw/zinc/25/13/66/898251366.db2.gz BFOGRMTZRGYGEZ-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001378136848 898251384 /nfs/dbraw/zinc/25/13/84/898251384.db2.gz BFOGRMTZRGYGEZ-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001378136848 898251402 /nfs/dbraw/zinc/25/14/02/898251402.db2.gz BFOGRMTZRGYGEZ-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378165894 898257898 /nfs/dbraw/zinc/25/78/98/898257898.db2.gz NRGNYQNJCJKJAR-WDEREUQCSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378165894 898257915 /nfs/dbraw/zinc/25/79/15/898257915.db2.gz NRGNYQNJCJKJAR-WDEREUQCSA-N 2 1 270.377 -0.655 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001378168960 898259741 /nfs/dbraw/zinc/25/97/41/898259741.db2.gz ZRGVOQVSAJAIHA-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001378168960 898259759 /nfs/dbraw/zinc/25/97/59/898259759.db2.gz ZRGVOQVSAJAIHA-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001378168962 898261095 /nfs/dbraw/zinc/26/10/95/898261095.db2.gz ZRGVOQVSAJAIHA-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001378168962 898261114 /nfs/dbraw/zinc/26/11/14/898261114.db2.gz ZRGVOQVSAJAIHA-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001378178713 898265745 /nfs/dbraw/zinc/26/57/45/898265745.db2.gz APSVCPKHWQQONN-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001378178713 898265763 /nfs/dbraw/zinc/26/57/63/898265763.db2.gz APSVCPKHWQQONN-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001378178713 898265779 /nfs/dbraw/zinc/26/57/79/898265779.db2.gz APSVCPKHWQQONN-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001378178713 898265800 /nfs/dbraw/zinc/26/58/00/898265800.db2.gz APSVCPKHWQQONN-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)[C@H]1CCNC1=O ZINC001378195631 898269585 /nfs/dbraw/zinc/26/95/85/898269585.db2.gz YJANAFAXFZKNLJ-NEPJUHHUSA-N 2 1 294.399 -0.593 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC ZINC001378241195 898285422 /nfs/dbraw/zinc/28/54/22/898285422.db2.gz FPXHUKKBSGVEOB-WDEREUQCSA-N 2 1 270.377 -0.689 20 0 CBADMP CC[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]CCO ZINC001378270103 898297931 /nfs/dbraw/zinc/29/79/31/898297931.db2.gz RIPUVWSEVXPQDZ-SNVBAGLBSA-N 2 1 284.360 -0.174 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]C[C@@H](O)COC ZINC001378303281 898307302 /nfs/dbraw/zinc/30/73/02/898307302.db2.gz PXHCTYPVZQXGAM-YNEHKIRRSA-N 2 1 287.404 -0.428 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)[NH2+]CCO ZINC001378333779 898315526 /nfs/dbraw/zinc/31/55/26/898315526.db2.gz DRXRIOKEMZPZPQ-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)[NH2+]CCO ZINC001378333779 898315538 /nfs/dbraw/zinc/31/55/38/898315538.db2.gz DRXRIOKEMZPZPQ-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@H]1CCNC1=O ZINC001378333594 898316067 /nfs/dbraw/zinc/31/60/67/898316067.db2.gz DLEQXUWLBMDQON-RYUDHWBXSA-N 2 1 284.404 -0.301 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)[NH2+]CCO ZINC001378333787 898316931 /nfs/dbraw/zinc/31/69/31/898316931.db2.gz DRXRIOKEMZPZPQ-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)[NH2+]CCO ZINC001378333787 898316939 /nfs/dbraw/zinc/31/69/39/898316939.db2.gz DRXRIOKEMZPZPQ-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001378347315 898322179 /nfs/dbraw/zinc/32/21/79/898322179.db2.gz UOPNILUZHQEDTB-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001378347315 898322195 /nfs/dbraw/zinc/32/21/95/898322195.db2.gz UOPNILUZHQEDTB-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1)C(N)=O ZINC001378383701 898323774 /nfs/dbraw/zinc/32/37/74/898323774.db2.gz SAKXKRRYSPXECB-NWDGAFQWSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001378561282 898355392 /nfs/dbraw/zinc/35/53/92/898355392.db2.gz QKDLIMVAAYGGSL-MNOVXSKESA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001378569813 898355652 /nfs/dbraw/zinc/35/56/52/898355652.db2.gz LXBUIMCNEJNEQT-CHWSQXEVSA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cn(C)nn1 ZINC001378595902 898362679 /nfs/dbraw/zinc/36/26/79/898362679.db2.gz ZVKRVZVRDYDGEG-WCQYABFASA-N 2 1 294.403 -0.249 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378643175 898377408 /nfs/dbraw/zinc/37/74/08/898377408.db2.gz JXWADJIEOPKLHE-QWHCGFSZSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001378725461 898394343 /nfs/dbraw/zinc/39/43/43/898394343.db2.gz OJANEPBIBFSLKP-XDQVBPFNSA-N 2 1 281.400 -0.386 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001378725461 898394359 /nfs/dbraw/zinc/39/43/59/898394359.db2.gz OJANEPBIBFSLKP-XDQVBPFNSA-N 2 1 281.400 -0.386 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001378725461 898394365 /nfs/dbraw/zinc/39/43/65/898394365.db2.gz OJANEPBIBFSLKP-XDQVBPFNSA-N 2 1 281.400 -0.386 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001378747430 898403500 /nfs/dbraw/zinc/40/35/00/898403500.db2.gz HHZZIICFPPATAN-XDQVBPFNSA-N 2 1 281.400 -0.386 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001378747430 898403505 /nfs/dbraw/zinc/40/35/05/898403505.db2.gz HHZZIICFPPATAN-XDQVBPFNSA-N 2 1 281.400 -0.386 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001378747430 898403508 /nfs/dbraw/zinc/40/35/08/898403508.db2.gz HHZZIICFPPATAN-XDQVBPFNSA-N 2 1 281.400 -0.386 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCO)C1 ZINC001378765120 898406363 /nfs/dbraw/zinc/40/63/63/898406363.db2.gz QDMOXYKUKIOWQK-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP 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 898420581 /nfs/dbraw/zinc/42/05/81/898420581.db2.gz YAXAEGVXMFKPBN-SYLRKERUSA-N 2 1 296.415 -0.315 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)C[NH+]1CCCC1 ZINC001378854954 898423502 /nfs/dbraw/zinc/42/35/02/898423502.db2.gz RBJARBWBMMBNNW-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378858053 898423625 /nfs/dbraw/zinc/42/36/25/898423625.db2.gz ZVAYMDAZUJSNQZ-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)C[NH+]1CCCC1 ZINC001378852437 898423664 /nfs/dbraw/zinc/42/36/64/898423664.db2.gz LUSVRVZFNLHIKG-NSHDSACASA-N 2 1 295.391 -0.758 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnon1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001378851281 898423841 /nfs/dbraw/zinc/42/38/41/898423841.db2.gz ITVFZJBDNRQHGZ-QWRGUYRKSA-N 2 1 281.360 -0.042 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnon1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378851281 898423846 /nfs/dbraw/zinc/42/38/46/898423846.db2.gz ITVFZJBDNRQHGZ-QWRGUYRKSA-N 2 1 281.360 -0.042 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001379036398 898450469 /nfs/dbraw/zinc/45/04/69/898450469.db2.gz VQRFFFIMRIYTRB-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001379036398 898450475 /nfs/dbraw/zinc/45/04/75/898450475.db2.gz VQRFFFIMRIYTRB-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001379036398 898450449 /nfs/dbraw/zinc/45/04/49/898450449.db2.gz VQRFFFIMRIYTRB-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001379036398 898450459 /nfs/dbraw/zinc/45/04/59/898450459.db2.gz VQRFFFIMRIYTRB-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001379059225 898454904 /nfs/dbraw/zinc/45/49/04/898454904.db2.gz QGNJRIVYRWRUKL-CYBMUJFWSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001379094737 898464764 /nfs/dbraw/zinc/46/47/64/898464764.db2.gz DIXPARSDZZIYDH-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001379094737 898464754 /nfs/dbraw/zinc/46/47/54/898464754.db2.gz DIXPARSDZZIYDH-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001379094737 898464757 /nfs/dbraw/zinc/46/47/57/898464757.db2.gz DIXPARSDZZIYDH-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001379094737 898464761 /nfs/dbraw/zinc/46/47/61/898464761.db2.gz DIXPARSDZZIYDH-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001379100308 898465690 /nfs/dbraw/zinc/46/56/90/898465690.db2.gz GGVFKSNGAVOXRQ-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001379100274 898467056 /nfs/dbraw/zinc/46/70/56/898467056.db2.gz GBMWYBVNEBYXLF-WDEREUQCSA-N 2 1 295.391 -0.759 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001379100274 898467066 /nfs/dbraw/zinc/46/70/66/898467066.db2.gz GBMWYBVNEBYXLF-WDEREUQCSA-N 2 1 295.391 -0.759 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CC(N)=O)C1 ZINC001379147249 898473981 /nfs/dbraw/zinc/47/39/81/898473981.db2.gz HPDRFYCSXBIMNU-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(N)=O)C1 ZINC001379147249 898473994 /nfs/dbraw/zinc/47/39/94/898473994.db2.gz HPDRFYCSXBIMNU-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(N)=O)C1 ZINC001379147249 898474002 /nfs/dbraw/zinc/47/40/02/898474002.db2.gz HPDRFYCSXBIMNU-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001379193359 898497453 /nfs/dbraw/zinc/49/74/53/898497453.db2.gz VTBQVDXBYHEMDW-AAEUAGOBSA-N 2 1 298.387 -0.365 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C[N@@H+](C)C(C)C ZINC001379327814 898550367 /nfs/dbraw/zinc/55/03/67/898550367.db2.gz LRZHMAWDFBTZLN-NSHDSACASA-N 2 1 272.393 -0.362 20 0 CBADMP COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001379223463 898514147 /nfs/dbraw/zinc/51/41/47/898514147.db2.gz BOVVIETUJMTEQK-CMPLNLGQSA-N 2 1 284.360 -0.707 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccn2)C1 ZINC001379290167 898540194 /nfs/dbraw/zinc/54/01/94/898540194.db2.gz QYPWVNGQZPBEIM-OCCSQVGLSA-N 2 1 292.383 -0.400 20 0 CBADMP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001379385480 898591615 /nfs/dbraw/zinc/59/16/15/898591615.db2.gz UPDYVETUHALSMA-ZYHUDNBSSA-N 2 1 282.392 -0.250 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001379449048 898616880 /nfs/dbraw/zinc/61/68/80/898616880.db2.gz LNUJBZYBABTOCR-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001379446490 898617735 /nfs/dbraw/zinc/61/77/35/898617735.db2.gz CDZYKDAYZOGIGR-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CCn1cc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001379461869 898621853 /nfs/dbraw/zinc/62/18/53/898621853.db2.gz UOKOEQFGGGHLSE-VXGBXAGGSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001379461869 898621859 /nfs/dbraw/zinc/62/18/59/898621859.db2.gz UOKOEQFGGGHLSE-VXGBXAGGSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001379461869 898621868 /nfs/dbraw/zinc/62/18/68/898621868.db2.gz UOKOEQFGGGHLSE-VXGBXAGGSA-N 2 1 294.403 -0.156 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001379489272 898636348 /nfs/dbraw/zinc/63/63/48/898636348.db2.gz FFMDEWYWGAKYEE-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H](C[NH2+]CC1CCOCC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379494478 898639545 /nfs/dbraw/zinc/63/95/45/898639545.db2.gz YDMZZIBAOKATMN-JSGCOSHPSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H](C[NH2+]CC1CCOCC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379494478 898639555 /nfs/dbraw/zinc/63/95/55/898639555.db2.gz YDMZZIBAOKATMN-JSGCOSHPSA-N 2 1 299.415 -0.162 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379515196 898650067 /nfs/dbraw/zinc/65/00/67/898650067.db2.gz LXGNYAJBTFYGCN-HBNTYKKESA-N 2 1 270.377 -0.833 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]C(C)C)C1 ZINC001379523121 898654163 /nfs/dbraw/zinc/65/41/63/898654163.db2.gz AVHYKXGPCNHTJY-RYUDHWBXSA-N 2 1 273.377 -0.818 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]C(C)C)C1 ZINC001379523121 898654174 /nfs/dbraw/zinc/65/41/74/898654174.db2.gz AVHYKXGPCNHTJY-RYUDHWBXSA-N 2 1 273.377 -0.818 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]C(C)C)C1 ZINC001379523116 898654781 /nfs/dbraw/zinc/65/47/81/898654781.db2.gz AVHYKXGPCNHTJY-NEPJUHHUSA-N 2 1 273.377 -0.818 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]C(C)C)C1 ZINC001379523116 898654790 /nfs/dbraw/zinc/65/47/90/898654790.db2.gz AVHYKXGPCNHTJY-NEPJUHHUSA-N 2 1 273.377 -0.818 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccns2)C1 ZINC001379529595 898657100 /nfs/dbraw/zinc/65/71/00/898657100.db2.gz QLFCKZKBPUJANK-MNOVXSKESA-N 2 1 298.412 -0.339 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccns2)C1 ZINC001379529595 898657104 /nfs/dbraw/zinc/65/71/04/898657104.db2.gz QLFCKZKBPUJANK-MNOVXSKESA-N 2 1 298.412 -0.339 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccns2)C1 ZINC001379529591 898657295 /nfs/dbraw/zinc/65/72/95/898657295.db2.gz QLFCKZKBPUJANK-GHMZBOCLSA-N 2 1 298.412 -0.339 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccns2)C1 ZINC001379529591 898657300 /nfs/dbraw/zinc/65/73/00/898657300.db2.gz QLFCKZKBPUJANK-GHMZBOCLSA-N 2 1 298.412 -0.339 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001379536413 898660103 /nfs/dbraw/zinc/66/01/03/898660103.db2.gz JUABXGDQHTUPSB-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379539916 898661298 /nfs/dbraw/zinc/66/12/98/898661298.db2.gz PCBXNAONWUEWPR-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001379539916 898661302 /nfs/dbraw/zinc/66/13/02/898661302.db2.gz PCBXNAONWUEWPR-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379535337 898662013 /nfs/dbraw/zinc/66/20/13/898662013.db2.gz HZSJUWDTCALZNU-NSHDSACASA-N 2 1 294.403 -0.249 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001379581277 898674377 /nfs/dbraw/zinc/67/43/77/898674377.db2.gz OWMHBUFFRXNZFV-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001379581277 898674384 /nfs/dbraw/zinc/67/43/84/898674384.db2.gz OWMHBUFFRXNZFV-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1ccn(C)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379601835 898680587 /nfs/dbraw/zinc/68/05/87/898680587.db2.gz UZPNCNKUOHCWKE-RYUDHWBXSA-N 2 1 279.388 -0.034 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001379641010 898691289 /nfs/dbraw/zinc/69/12/89/898691289.db2.gz XGXLBYJADHWBJW-RISCZKNCSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001379641010 898691293 /nfs/dbraw/zinc/69/12/93/898691293.db2.gz XGXLBYJADHWBJW-RISCZKNCSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001379694492 898701113 /nfs/dbraw/zinc/70/11/13/898701113.db2.gz JCIHVTJRCOMUOM-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001379694492 898701122 /nfs/dbraw/zinc/70/11/22/898701122.db2.gz JCIHVTJRCOMUOM-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H](C[N@@H+](C)CCO)NC(=O)COC1CC[NH+](C)CC1 ZINC001379770287 898723733 /nfs/dbraw/zinc/72/37/33/898723733.db2.gz UJZBZAAOSNBLHN-GFCCVEGCSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379760104 898725459 /nfs/dbraw/zinc/72/54/59/898725459.db2.gz CTPCERIRAKHSGI-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379818659 898738954 /nfs/dbraw/zinc/73/89/54/898738954.db2.gz ARKCPONXJQZVNH-QWHCGFSZSA-N 2 1 296.371 -0.322 20 0 CBADMP CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)[C@H]1CCC[N@H+]1C ZINC001379818659 898738960 /nfs/dbraw/zinc/73/89/60/898738960.db2.gz ARKCPONXJQZVNH-QWHCGFSZSA-N 2 1 296.371 -0.322 20 0 CBADMP C[C@H](Cc1cnc[nH]1)C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001380174189 898828174 /nfs/dbraw/zinc/82/81/74/898828174.db2.gz JYFRMWPEIJYEOP-GRZMOONWSA-N 2 1 293.371 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001380276155 898847624 /nfs/dbraw/zinc/84/76/24/898847624.db2.gz YZMQERPUSJICMC-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380362541 898863400 /nfs/dbraw/zinc/86/34/00/898863400.db2.gz VNSLQZNLRBKVKI-MFKMUULPSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380362541 898863411 /nfs/dbraw/zinc/86/34/11/898863411.db2.gz VNSLQZNLRBKVKI-MFKMUULPSA-N 2 1 270.377 -0.608 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380375439 898869609 /nfs/dbraw/zinc/86/96/09/898869609.db2.gz JICLSXRFLGFEKR-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001380897870 898966190 /nfs/dbraw/zinc/96/61/90/898966190.db2.gz QJFJXUHMSBMRHB-CHWSQXEVSA-N 2 1 299.415 -0.426 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001380928371 898972934 /nfs/dbraw/zinc/97/29/34/898972934.db2.gz DCMUUGMDALVWAM-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H](C)C1 ZINC001381169049 899006724 /nfs/dbraw/zinc/00/67/24/899006724.db2.gz IAFIGMRGWLWPHV-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H](C)C1 ZINC001381169049 899006738 /nfs/dbraw/zinc/00/67/38/899006738.db2.gz IAFIGMRGWLWPHV-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC001381169049 899006751 /nfs/dbraw/zinc/00/67/51/899006751.db2.gz IAFIGMRGWLWPHV-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC001381169049 899006767 /nfs/dbraw/zinc/00/67/67/899006767.db2.gz IAFIGMRGWLWPHV-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+][C@H]1CCCNC1=O ZINC001381200204 899012845 /nfs/dbraw/zinc/01/28/45/899012845.db2.gz NJJAOGVOECBTQN-RWMBFGLXSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+][C@@H]1CCCNC1=O ZINC001381200210 899014306 /nfs/dbraw/zinc/01/43/06/899014306.db2.gz NJJAOGVOECBTQN-YNEHKIRRSA-N 2 1 296.415 -0.156 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O ZINC001381301008 899025837 /nfs/dbraw/zinc/02/58/37/899025837.db2.gz PCWIMORBDGCDDF-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O ZINC001381301008 899025846 /nfs/dbraw/zinc/02/58/46/899025846.db2.gz PCWIMORBDGCDDF-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001381449037 899053376 /nfs/dbraw/zinc/05/33/76/899053376.db2.gz XYHRIGJBJUZEJF-MNOVXSKESA-N 2 1 297.407 -0.465 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001381449037 899053392 /nfs/dbraw/zinc/05/33/92/899053392.db2.gz XYHRIGJBJUZEJF-MNOVXSKESA-N 2 1 297.407 -0.465 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001381517715 899070180 /nfs/dbraw/zinc/07/01/80/899070180.db2.gz PTSMDCMQISHPIP-WCQYABFASA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001381517715 899070196 /nfs/dbraw/zinc/07/01/96/899070196.db2.gz PTSMDCMQISHPIP-WCQYABFASA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[N@H+](C)[C@H](C)C(N)=O ZINC001381538587 899079046 /nfs/dbraw/zinc/07/90/46/899079046.db2.gz FSDYZGKWUZWAMP-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[N@@H+](C)[C@H](C)C(N)=O ZINC001381538587 899079060 /nfs/dbraw/zinc/07/90/60/899079060.db2.gz FSDYZGKWUZWAMP-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001381801699 899115499 /nfs/dbraw/zinc/11/54/99/899115499.db2.gz HJAOXBAVFYFHNL-AAEUAGOBSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001381916365 899131331 /nfs/dbraw/zinc/13/13/31/899131331.db2.gz GNJUSAMBMHWRBA-OCCSQVGLSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001381953326 899134133 /nfs/dbraw/zinc/13/41/33/899134133.db2.gz KYXUTOSLOJWWES-AAVRWANBSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001381956329 899136693 /nfs/dbraw/zinc/13/66/93/899136693.db2.gz IRFQMAPSSYGZIT-FDYHWXHSSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001381998104 899140589 /nfs/dbraw/zinc/14/05/89/899140589.db2.gz RNIPVNYCTGKVDN-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001382121629 899159452 /nfs/dbraw/zinc/15/94/52/899159452.db2.gz LYIYHNNNHYHYTE-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382152768 899166484 /nfs/dbraw/zinc/16/64/84/899166484.db2.gz MJGOXMSHSJWTQN-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001386791473 899708324 /nfs/dbraw/zinc/70/83/24/899708324.db2.gz JCSONIABPDSKBZ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001386791473 899708332 /nfs/dbraw/zinc/70/83/32/899708332.db2.gz JCSONIABPDSKBZ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001386791473 899708336 /nfs/dbraw/zinc/70/83/36/899708336.db2.gz JCSONIABPDSKBZ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001386892630 899727389 /nfs/dbraw/zinc/72/73/89/899727389.db2.gz ZXRULFMEBDNSRC-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001386892630 899727397 /nfs/dbraw/zinc/72/73/97/899727397.db2.gz ZXRULFMEBDNSRC-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001386892630 899727402 /nfs/dbraw/zinc/72/74/02/899727402.db2.gz ZXRULFMEBDNSRC-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001387031929 899749063 /nfs/dbraw/zinc/74/90/63/899749063.db2.gz OURUAZLIVAQHEJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001387031929 899749072 /nfs/dbraw/zinc/74/90/72/899749072.db2.gz OURUAZLIVAQHEJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001387031929 899749082 /nfs/dbraw/zinc/74/90/82/899749082.db2.gz OURUAZLIVAQHEJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CCC[NH+](C)C ZINC001387750605 899823382 /nfs/dbraw/zinc/82/33/82/899823382.db2.gz HRGKHFDOVLDSAA-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001387819991 899834003 /nfs/dbraw/zinc/83/40/03/899834003.db2.gz NQSVAYOHNGBADH-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC001388115647 899869401 /nfs/dbraw/zinc/86/94/01/899869401.db2.gz FQOKEBKTIWYGJX-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001388115726 899869558 /nfs/dbraw/zinc/86/95/58/899869558.db2.gz GHMZWRRSHDORQN-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(CCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001455676726 914389426 /nfs/dbraw/zinc/38/94/26/914389426.db2.gz MNBIGCHRBVULSH-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001388696433 899901045 /nfs/dbraw/zinc/90/10/45/899901045.db2.gz CMTUPHCMXPKOPS-XQQFMLRXSA-N 2 1 296.415 -0.299 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001388724352 899905532 /nfs/dbraw/zinc/90/55/32/899905532.db2.gz KMRFBCFFTBQDRF-XYPYZODXSA-N 2 1 279.344 -0.839 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001388745177 899907234 /nfs/dbraw/zinc/90/72/34/899907234.db2.gz PFRWEZMRVRSJHX-YUSALJHKSA-N 2 1 293.371 -0.450 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001389342912 899997035 /nfs/dbraw/zinc/99/70/35/899997035.db2.gz NGDNVXJBLDCWDK-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C1)[NH+](C)C ZINC001389506955 900031016 /nfs/dbraw/zinc/03/10/16/900031016.db2.gz IFTZHSOOTULFSF-OLZOCXBDSA-N 2 1 294.403 -0.191 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1)[NH+](C)C ZINC001389506955 900031022 /nfs/dbraw/zinc/03/10/22/900031022.db2.gz IFTZHSOOTULFSF-OLZOCXBDSA-N 2 1 294.403 -0.191 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]([NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001389694207 900057671 /nfs/dbraw/zinc/05/76/71/900057671.db2.gz QKSOSNSJCGTQEO-CABZTGNLSA-N 2 1 293.371 -0.450 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]([NH2+][C@H](C)C(N)=O)C1CC1 ZINC001389694206 900057913 /nfs/dbraw/zinc/05/79/13/900057913.db2.gz QKSOSNSJCGTQEO-BXKDBHETSA-N 2 1 293.371 -0.450 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001389821444 900076332 /nfs/dbraw/zinc/07/63/32/900076332.db2.gz SPXGDFAPJSFXHS-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001389835219 900080094 /nfs/dbraw/zinc/08/00/94/900080094.db2.gz IHLNAXFVGJWFLX-FDYHWXHSSA-N 2 1 285.388 -0.675 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001389839804 900083550 /nfs/dbraw/zinc/08/35/50/900083550.db2.gz VRTCODXNRZTBTM-CYDGBPFRSA-N 2 1 285.388 -0.411 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001389839804 900083561 /nfs/dbraw/zinc/08/35/61/900083561.db2.gz VRTCODXNRZTBTM-CYDGBPFRSA-N 2 1 285.388 -0.411 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@@H+](CC(N)=O)CC[C@H]21 ZINC001389949758 900099280 /nfs/dbraw/zinc/09/92/80/900099280.db2.gz JALKOAZRMQKAPP-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001390053424 900108837 /nfs/dbraw/zinc/10/88/37/900108837.db2.gz BDUQBTHPUURQAZ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001390039577 900109658 /nfs/dbraw/zinc/10/96/58/900109658.db2.gz SKWLSDSOYHGBES-XQQFMLRXSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001390074975 900112262 /nfs/dbraw/zinc/11/22/62/900112262.db2.gz VKBPZQBQNIBKHT-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001390074975 900112274 /nfs/dbraw/zinc/11/22/74/900112274.db2.gz VKBPZQBQNIBKHT-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001390074975 900112287 /nfs/dbraw/zinc/11/22/87/900112287.db2.gz VKBPZQBQNIBKHT-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001390074975 900112299 /nfs/dbraw/zinc/11/22/99/900112299.db2.gz VKBPZQBQNIBKHT-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cncn1C ZINC001390319068 900139358 /nfs/dbraw/zinc/13/93/58/900139358.db2.gz IECHODCWAPPRRM-WCQYABFASA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cncn1C ZINC001390319068 900139363 /nfs/dbraw/zinc/13/93/63/900139363.db2.gz IECHODCWAPPRRM-WCQYABFASA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cnnn1C ZINC001390381739 900147452 /nfs/dbraw/zinc/14/74/52/900147452.db2.gz WVZOOGLDFBTCSA-DMDPSCGWSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1nnnn1C ZINC001390456769 900164168 /nfs/dbraw/zinc/16/41/68/900164168.db2.gz AEYPFCSCQSCQMP-JTQLQIEISA-N 2 1 295.391 -0.854 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1nncn1C)[NH+](C)C ZINC001390507327 900177911 /nfs/dbraw/zinc/17/79/11/900177911.db2.gz JLPWAAPVBMIIHX-DGCLKSJQSA-N 2 1 296.419 -0.004 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001390564457 900190034 /nfs/dbraw/zinc/19/00/34/900190034.db2.gz CYICXGWKEBYQEQ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001390555821 900190084 /nfs/dbraw/zinc/19/00/84/900190084.db2.gz GVWGDEUQXKFOSD-NSHDSACASA-N 2 1 280.376 -0.245 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001390595084 900193519 /nfs/dbraw/zinc/19/35/19/900193519.db2.gz QYHCEZSMJZYONW-RYUDHWBXSA-N 2 1 282.388 -0.748 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001390592134 900193930 /nfs/dbraw/zinc/19/39/30/900193930.db2.gz AXVLUXQSWDEZCL-NSHDSACASA-N 2 1 270.377 -0.750 20 0 CBADMP NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001390608166 900195827 /nfs/dbraw/zinc/19/58/27/900195827.db2.gz QJYGMOYFXIHBGL-DOMZBBRYSA-N 2 1 294.399 -0.604 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001390646966 900203861 /nfs/dbraw/zinc/20/38/61/900203861.db2.gz OBYGMKVZFCELHH-CHWSQXEVSA-N 2 1 294.403 -0.143 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(N)=O ZINC001390670926 900206177 /nfs/dbraw/zinc/20/61/77/900206177.db2.gz INILDJMNHXGXKS-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001390696614 900213507 /nfs/dbraw/zinc/21/35/07/900213507.db2.gz VVXWKWFCHXNYQG-WOPDTQHZSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[C@H]([NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001390720593 900215055 /nfs/dbraw/zinc/21/50/55/900215055.db2.gz XYQOLAOXABDKIQ-PWSUYJOCSA-N 2 1 295.387 -0.060 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001390714671 900215653 /nfs/dbraw/zinc/21/56/53/900215653.db2.gz MJPOBFLXOMPQTH-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001390820098 900254314 /nfs/dbraw/zinc/25/43/14/900254314.db2.gz TYEIPJZPFNVYER-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001390820098 900254327 /nfs/dbraw/zinc/25/43/27/900254327.db2.gz TYEIPJZPFNVYER-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001390820100 900256307 /nfs/dbraw/zinc/25/63/07/900256307.db2.gz TYEIPJZPFNVYER-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001390820100 900256313 /nfs/dbraw/zinc/25/63/13/900256313.db2.gz TYEIPJZPFNVYER-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001390848115 900264853 /nfs/dbraw/zinc/26/48/53/900264853.db2.gz YSOZJDOGNKOBBF-GFCCVEGCSA-N 2 1 287.404 -0.474 20 0 CBADMP CN1CC[C@H]([N@H+](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001390856356 900267715 /nfs/dbraw/zinc/26/77/15/900267715.db2.gz AIBQVIGBCFOMFC-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001390856356 900267729 /nfs/dbraw/zinc/26/77/29/900267729.db2.gz AIBQVIGBCFOMFC-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001390864132 900272283 /nfs/dbraw/zinc/27/22/83/900272283.db2.gz ZXPMHHUWXHNFBE-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001390864132 900272296 /nfs/dbraw/zinc/27/22/96/900272296.db2.gz ZXPMHHUWXHNFBE-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](CC)[C@H](C)C(=O)NC)[NH+](C)C ZINC001390966123 900287399 /nfs/dbraw/zinc/28/73/99/900287399.db2.gz QMIAREKQALCPIE-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](CC)[C@H](C)C(=O)NC)[NH+](C)C ZINC001390966123 900287411 /nfs/dbraw/zinc/28/74/11/900287411.db2.gz QMIAREKQALCPIE-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCN(C)C1=O ZINC001391022806 900295933 /nfs/dbraw/zinc/29/59/33/900295933.db2.gz MHQFOZKJUFUUBU-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(C)C1=O ZINC001391022806 900295944 /nfs/dbraw/zinc/29/59/44/900295944.db2.gz MHQFOZKJUFUUBU-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C)C1=O ZINC001391022806 900295953 /nfs/dbraw/zinc/29/59/53/900295953.db2.gz MHQFOZKJUFUUBU-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001391060612 900298981 /nfs/dbraw/zinc/29/89/81/900298981.db2.gz IVXWOPYVXYFRSS-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001391060612 900298992 /nfs/dbraw/zinc/29/89/92/900298992.db2.gz IVXWOPYVXYFRSS-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP Cn1nncc1C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391099295 900307239 /nfs/dbraw/zinc/30/72/39/900307239.db2.gz RDXCULUXUWEMEB-GFCCVEGCSA-N 2 1 294.403 -0.295 20 0 CBADMP Cn1nncc1C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391099295 900307252 /nfs/dbraw/zinc/30/72/52/900307252.db2.gz RDXCULUXUWEMEB-GFCCVEGCSA-N 2 1 294.403 -0.295 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001391101763 900308847 /nfs/dbraw/zinc/30/88/47/900308847.db2.gz OUKFVVJHNHDNLO-NWDGAFQWSA-N 2 1 293.371 -0.497 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001391101763 900308857 /nfs/dbraw/zinc/30/88/57/900308857.db2.gz OUKFVVJHNHDNLO-NWDGAFQWSA-N 2 1 293.371 -0.497 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001391340901 900356520 /nfs/dbraw/zinc/35/65/20/900356520.db2.gz QIOOXNWKAIPIIM-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001391340901 900356531 /nfs/dbraw/zinc/35/65/31/900356531.db2.gz QIOOXNWKAIPIIM-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391340901 900356541 /nfs/dbraw/zinc/35/65/41/900356541.db2.gz QIOOXNWKAIPIIM-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001391353051 900361074 /nfs/dbraw/zinc/36/10/74/900361074.db2.gz HQUNANVRJLHXQE-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001391560841 900411107 /nfs/dbraw/zinc/41/11/07/900411107.db2.gz KOUJDUOEHKVSMZ-UONOGXRCSA-N 2 1 299.415 -0.474 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001391583174 900414208 /nfs/dbraw/zinc/41/42/08/900414208.db2.gz BDHFGBIUNLZEGL-LLVKDONJSA-N 2 1 270.377 -0.783 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001391583174 900414217 /nfs/dbraw/zinc/41/42/17/900414217.db2.gz BDHFGBIUNLZEGL-LLVKDONJSA-N 2 1 270.377 -0.783 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001391668289 900429267 /nfs/dbraw/zinc/42/92/67/900429267.db2.gz VRAPPFXXMVCZLS-AAEUAGOBSA-N 2 1 296.415 -0.156 20 0 CBADMP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)Cn1c[nH+]cc1C ZINC001391705250 900436101 /nfs/dbraw/zinc/43/61/01/900436101.db2.gz IHKBSKATHCOGQG-GFCCVEGCSA-N 2 1 295.387 -0.188 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001391714162 900437479 /nfs/dbraw/zinc/43/74/79/900437479.db2.gz ILSWBVWGLYYEOG-WCQYABFASA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001391714162 900437484 /nfs/dbraw/zinc/43/74/84/900437484.db2.gz ILSWBVWGLYYEOG-WCQYABFASA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001391720229 900438821 /nfs/dbraw/zinc/43/88/21/900438821.db2.gz RKVNXLYUZGGEFV-GHMZBOCLSA-N 2 1 295.391 -0.711 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001391720229 900438828 /nfs/dbraw/zinc/43/88/28/900438828.db2.gz RKVNXLYUZGGEFV-GHMZBOCLSA-N 2 1 295.391 -0.711 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001392013924 900492373 /nfs/dbraw/zinc/49/23/73/900492373.db2.gz HLRYZCDBYFLNOK-LLVKDONJSA-N 2 1 282.388 -0.416 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001392047015 900499322 /nfs/dbraw/zinc/49/93/22/900499322.db2.gz CQGLFAQZJJMYEU-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001392183610 900528609 /nfs/dbraw/zinc/52/86/09/900528609.db2.gz RGESINHTOSPUCC-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001392255288 900544161 /nfs/dbraw/zinc/54/41/61/900544161.db2.gz YSVVINSTRDKZTF-RYUDHWBXSA-N 2 1 284.404 -0.586 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001392308041 900559375 /nfs/dbraw/zinc/55/93/75/900559375.db2.gz AZELVJCJGUBWQY-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001392308041 900559386 /nfs/dbraw/zinc/55/93/86/900559386.db2.gz AZELVJCJGUBWQY-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CN(CCN(C)[C@H]1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392327748 900562422 /nfs/dbraw/zinc/56/24/22/900562422.db2.gz ULEQGRMERACSPK-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001392327748 900562428 /nfs/dbraw/zinc/56/24/28/900562428.db2.gz ULEQGRMERACSPK-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001392327748 900562436 /nfs/dbraw/zinc/56/24/36/900562436.db2.gz ULEQGRMERACSPK-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001392327748 900562445 /nfs/dbraw/zinc/56/24/45/900562445.db2.gz ULEQGRMERACSPK-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392327748 900562454 /nfs/dbraw/zinc/56/24/54/900562454.db2.gz ULEQGRMERACSPK-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001392326857 900564387 /nfs/dbraw/zinc/56/43/87/900564387.db2.gz NHKYHBJOROYXJA-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)CCCO)C1 ZINC001392330472 900566613 /nfs/dbraw/zinc/56/66/13/900566613.db2.gz CICDBYUYAIAOMX-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)CCCO)C1 ZINC001392330472 900566624 /nfs/dbraw/zinc/56/66/24/900566624.db2.gz CICDBYUYAIAOMX-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)CC[N@H+](C)CCCO)C1 ZINC001392330472 900566635 /nfs/dbraw/zinc/56/66/35/900566635.db2.gz CICDBYUYAIAOMX-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)CC[N@@H+](C)CCCO)C1 ZINC001392330472 900566640 /nfs/dbraw/zinc/56/66/40/900566640.db2.gz CICDBYUYAIAOMX-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392464559 900625217 /nfs/dbraw/zinc/62/52/17/900625217.db2.gz GJLQCXFVSVPFHV-ZYHUDNBSSA-N 2 1 280.376 -0.496 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392513908 900644075 /nfs/dbraw/zinc/64/40/75/900644075.db2.gz ZTGNQERHLHOSPP-WDEREUQCSA-N 2 1 270.377 -0.832 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1nncn1C ZINC001392522066 900645429 /nfs/dbraw/zinc/64/54/29/900645429.db2.gz AZPLIIJCRVDMOR-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1nncn1C ZINC001392522066 900645431 /nfs/dbraw/zinc/64/54/31/900645431.db2.gz AZPLIIJCRVDMOR-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001392523241 900648663 /nfs/dbraw/zinc/64/86/63/900648663.db2.gz BNXUXUYUKONTBE-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001392536944 900650704 /nfs/dbraw/zinc/65/07/04/900650704.db2.gz NUQGRMVJVKTHFN-GHMZBOCLSA-N 2 1 270.377 -0.691 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001392536945 900652063 /nfs/dbraw/zinc/65/20/63/900652063.db2.gz NUQGRMVJVKTHFN-MNOVXSKESA-N 2 1 270.377 -0.691 20 0 CBADMP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001392583673 900667679 /nfs/dbraw/zinc/66/76/79/900667679.db2.gz UBPJBWMYGXFZQQ-QJPTWQEYSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001392602782 900673990 /nfs/dbraw/zinc/67/39/90/900673990.db2.gz SMQBKZUTKNATMI-WDEREUQCSA-N 2 1 270.377 -0.689 20 0 CBADMP COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001392673977 900695401 /nfs/dbraw/zinc/69/54/01/900695401.db2.gz CRDVXHPXWAONAQ-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392673977 900695409 /nfs/dbraw/zinc/69/54/09/900695409.db2.gz CRDVXHPXWAONAQ-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392673977 900695417 /nfs/dbraw/zinc/69/54/17/900695417.db2.gz CRDVXHPXWAONAQ-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001392682535 900700221 /nfs/dbraw/zinc/70/02/21/900700221.db2.gz FKVQOHXROIVYOL-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001392682535 900700226 /nfs/dbraw/zinc/70/02/26/900700226.db2.gz FKVQOHXROIVYOL-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001392682535 900700233 /nfs/dbraw/zinc/70/02/33/900700233.db2.gz FKVQOHXROIVYOL-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392682535 900700243 /nfs/dbraw/zinc/70/02/43/900700243.db2.gz FKVQOHXROIVYOL-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001392721321 900712659 /nfs/dbraw/zinc/71/26/59/900712659.db2.gz FAEMBZHDDFJCEK-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001392721321 900712665 /nfs/dbraw/zinc/71/26/65/900712665.db2.gz FAEMBZHDDFJCEK-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001392730074 900714173 /nfs/dbraw/zinc/71/41/73/900714173.db2.gz YGGMNNZRPCJRMJ-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001392730074 900714179 /nfs/dbraw/zinc/71/41/79/900714179.db2.gz YGGMNNZRPCJRMJ-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392730074 900714187 /nfs/dbraw/zinc/71/41/87/900714187.db2.gz YGGMNNZRPCJRMJ-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392730074 900714201 /nfs/dbraw/zinc/71/42/01/900714201.db2.gz YGGMNNZRPCJRMJ-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392791139 900727044 /nfs/dbraw/zinc/72/70/44/900727044.db2.gz DKSZUQXWGUGNDH-CMPLNLGQSA-N 2 1 282.388 -0.702 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001392791124 900728435 /nfs/dbraw/zinc/72/84/35/900728435.db2.gz DKNBVYBPNCMZID-DGCLKSJQSA-N 2 1 296.415 -0.441 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001392822132 900733080 /nfs/dbraw/zinc/73/30/80/900733080.db2.gz DCWXBNMRFVDRNG-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392822132 900733086 /nfs/dbraw/zinc/73/30/86/900733086.db2.gz DCWXBNMRFVDRNG-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392822132 900733093 /nfs/dbraw/zinc/73/30/93/900733093.db2.gz DCWXBNMRFVDRNG-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001392992177 900771659 /nfs/dbraw/zinc/77/16/59/900771659.db2.gz OYTAIRCPCDEFJV-IUODEOHRSA-N 2 1 296.415 -0.264 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393058409 900787870 /nfs/dbraw/zinc/78/78/70/900787870.db2.gz YMGWTAOSUHNYBL-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CCCC2)C1 ZINC001393083300 900789320 /nfs/dbraw/zinc/78/93/20/900789320.db2.gz JGQNUIVOUUPVCD-QWHCGFSZSA-N 2 1 296.415 -0.312 20 0 CBADMP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001393143624 900799934 /nfs/dbraw/zinc/79/99/34/900799934.db2.gz LSPFMTYWGRCZHM-SWLSCSKDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001393165487 900800391 /nfs/dbraw/zinc/80/03/91/900800391.db2.gz WHEAGKFKGFPBKB-WFASDCNBSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001393143630 900800687 /nfs/dbraw/zinc/80/06/87/900800687.db2.gz LSPFMTYWGRCZHM-WFASDCNBSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)CCC[NH+](CCO)C2)C1 ZINC001393186369 900803346 /nfs/dbraw/zinc/80/33/46/900803346.db2.gz LCVCVXBXXIHVNX-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)CCC[NH+](CCO)C2)C1 ZINC001393186369 900803353 /nfs/dbraw/zinc/80/33/53/900803353.db2.gz LCVCVXBXXIHVNX-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@]2(C)CCC[N@H+](CCO)C2)C1 ZINC001393186369 900803361 /nfs/dbraw/zinc/80/33/61/900803361.db2.gz LCVCVXBXXIHVNX-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@]2(C)CCC[N@@H+](CCO)C2)C1 ZINC001393186369 900803367 /nfs/dbraw/zinc/80/33/67/900803367.db2.gz LCVCVXBXXIHVNX-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[NH+](CCF)C2)C1 ZINC001393280572 900827425 /nfs/dbraw/zinc/82/74/25/900827425.db2.gz FNWDWNYTCSMXAW-GXTWGEPZSA-N 2 1 287.379 -0.149 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[NH+](CCF)C2)C1 ZINC001393280572 900827434 /nfs/dbraw/zinc/82/74/34/900827434.db2.gz FNWDWNYTCSMXAW-GXTWGEPZSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[N@H+](CCF)C2)C1 ZINC001393280572 900827443 /nfs/dbraw/zinc/82/74/43/900827443.db2.gz FNWDWNYTCSMXAW-GXTWGEPZSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)C1 ZINC001393280572 900827448 /nfs/dbraw/zinc/82/74/48/900827448.db2.gz FNWDWNYTCSMXAW-GXTWGEPZSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001393464034 900860310 /nfs/dbraw/zinc/86/03/10/900860310.db2.gz OXOLVOHOWZDQAH-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001393464034 900860321 /nfs/dbraw/zinc/86/03/21/900860321.db2.gz OXOLVOHOWZDQAH-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001393569824 900877403 /nfs/dbraw/zinc/87/74/03/900877403.db2.gz NTNPCTVARGYDDU-LBPRGKRZSA-N 2 1 296.415 -0.025 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)C1 ZINC001393748681 900903972 /nfs/dbraw/zinc/90/39/72/900903972.db2.gz QSEJZFUQYJZVLA-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001393764595 900904150 /nfs/dbraw/zinc/90/41/50/900904150.db2.gz GITAUXUMKVCOQQ-UHFFFAOYSA-N 2 1 298.431 -0.851 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001393764595 900904158 /nfs/dbraw/zinc/90/41/58/900904158.db2.gz GITAUXUMKVCOQQ-UHFFFAOYSA-N 2 1 298.431 -0.851 20 0 CBADMP CC[C@H]([NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001393809986 900909313 /nfs/dbraw/zinc/90/93/13/900909313.db2.gz ACDKQMDJEDWHKT-SDDRHHMPSA-N 2 1 284.404 -0.171 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1(CO)CC[NH+](CCCO)CC1 ZINC001393845079 900916271 /nfs/dbraw/zinc/91/62/71/900916271.db2.gz PDYSXIZICOJYGP-ZDUSSCGKSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001394368034 901020669 /nfs/dbraw/zinc/02/06/69/901020669.db2.gz MKILITZPZSZSQU-FDYHWXHSSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001394368034 901020678 /nfs/dbraw/zinc/02/06/78/901020678.db2.gz MKILITZPZSZSQU-FDYHWXHSSA-N 2 1 285.388 -0.818 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001394563807 901055271 /nfs/dbraw/zinc/05/52/71/901055271.db2.gz CAVLPHHBBOBHOY-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP COC[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001394620975 901092726 /nfs/dbraw/zinc/09/27/26/901092726.db2.gz XZHKAJJVZCNPPU-ZYHUDNBSSA-N 2 1 284.360 -0.707 20 0 CBADMP COC[C@@H](C)[NH2+][C@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001394620969 901093252 /nfs/dbraw/zinc/09/32/52/901093252.db2.gz XZHKAJJVZCNPPU-PWSUYJOCSA-N 2 1 284.360 -0.707 20 0 CBADMP C[C@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)c1cnccn1 ZINC001394623403 901097515 /nfs/dbraw/zinc/09/75/15/901097515.db2.gz TVKHBYJVTOORBM-RYUDHWBXSA-N 2 1 295.387 -0.444 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001394654649 901109829 /nfs/dbraw/zinc/10/98/29/901109829.db2.gz SQTJRYRYMNAKTI-OLZOCXBDSA-N 2 1 298.387 -0.110 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC(=O)N(C)C ZINC001394720057 901122538 /nfs/dbraw/zinc/12/25/38/901122538.db2.gz WYMYBCZVSHJXKF-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1CC(=O)N(C)C ZINC001394720057 901122548 /nfs/dbraw/zinc/12/25/48/901122548.db2.gz WYMYBCZVSHJXKF-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H]1[C@H](NC(=O)CC[NH+]2CCOCC2)CCC[N@@H+]1CCO ZINC001394701448 901123513 /nfs/dbraw/zinc/12/35/13/901123513.db2.gz CFYXRHJRAWXESO-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H]1[C@H](NC(=O)CC[NH+]2CCOCC2)CCC[N@H+]1CCO ZINC001394701448 901123523 /nfs/dbraw/zinc/12/35/23/901123523.db2.gz CFYXRHJRAWXESO-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC(=O)N(C)C ZINC001394720056 901123915 /nfs/dbraw/zinc/12/39/15/901123915.db2.gz WYMYBCZVSHJXKF-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1CC(=O)N(C)C ZINC001394720056 901123920 /nfs/dbraw/zinc/12/39/20/901123920.db2.gz WYMYBCZVSHJXKF-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)C[NH+]1CCCC1 ZINC001394752348 901139022 /nfs/dbraw/zinc/13/90/22/901139022.db2.gz CHQRBYPYRVANSI-ZDUSSCGKSA-N 2 1 296.371 -0.321 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001394808651 901159566 /nfs/dbraw/zinc/15/95/66/901159566.db2.gz CNEPUOWMZFEZSV-QWRGUYRKSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001395172256 901184913 /nfs/dbraw/zinc/18/49/13/901184913.db2.gz QILPWFIVFHLZBE-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001396938333 901349051 /nfs/dbraw/zinc/34/90/51/901349051.db2.gz KKBXOLNWHMFWPW-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H]1CC[N@H+]1CCO ZINC001397024237 901355728 /nfs/dbraw/zinc/35/57/28/901355728.db2.gz BWGZQGOJQBSCID-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001397169293 901370212 /nfs/dbraw/zinc/37/02/12/901370212.db2.gz ITWNMBVKXLZGNJ-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001397558160 901431066 /nfs/dbraw/zinc/43/10/66/901431066.db2.gz CIBDJKWTOJHQAR-GRYCIOLGSA-N 2 1 282.388 -0.689 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001397591749 901437145 /nfs/dbraw/zinc/43/71/45/901437145.db2.gz HCEPDVSDOBZNAZ-PHIMTYICSA-N 2 1 282.388 -0.560 20 0 CBADMP CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCC[NH+]1C ZINC001397930457 901478714 /nfs/dbraw/zinc/47/87/14/901478714.db2.gz WHTNRVJYXMVGDZ-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)[C@H]1CC[NH+](C)C1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001397930457 901478722 /nfs/dbraw/zinc/47/87/22/901478722.db2.gz WHTNRVJYXMVGDZ-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)[C@H]1CC[NH+](C)C1)C(=O)[C@H]1CCC[N@H+]1C ZINC001397930457 901478728 /nfs/dbraw/zinc/47/87/28/901478728.db2.gz WHTNRVJYXMVGDZ-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001398301575 901520874 /nfs/dbraw/zinc/52/08/74/901520874.db2.gz RRAYCLZCYWLMBO-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001398301575 901520886 /nfs/dbraw/zinc/52/08/86/901520886.db2.gz RRAYCLZCYWLMBO-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001398301575 901520900 /nfs/dbraw/zinc/52/09/00/901520900.db2.gz RRAYCLZCYWLMBO-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001398301575 901520914 /nfs/dbraw/zinc/52/09/14/901520914.db2.gz RRAYCLZCYWLMBO-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001398345361 901524912 /nfs/dbraw/zinc/52/49/12/901524912.db2.gz RLGROXVXJSDJMJ-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001398345361 901524909 /nfs/dbraw/zinc/52/49/09/901524909.db2.gz RLGROXVXJSDJMJ-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001398345361 901524903 /nfs/dbraw/zinc/52/49/03/901524903.db2.gz RLGROXVXJSDJMJ-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001398345361 901524908 /nfs/dbraw/zinc/52/49/08/901524908.db2.gz RLGROXVXJSDJMJ-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001398325305 901525119 /nfs/dbraw/zinc/52/51/19/901525119.db2.gz BGULSSGDHPXHSH-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001398325305 901525130 /nfs/dbraw/zinc/52/51/30/901525130.db2.gz BGULSSGDHPXHSH-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001398325305 901525139 /nfs/dbraw/zinc/52/51/39/901525139.db2.gz BGULSSGDHPXHSH-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001398325305 901525144 /nfs/dbraw/zinc/52/51/44/901525144.db2.gz BGULSSGDHPXHSH-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001398374664 901531152 /nfs/dbraw/zinc/53/11/52/901531152.db2.gz HBVHJCMHCXSYLG-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001398469835 901544800 /nfs/dbraw/zinc/54/48/00/901544800.db2.gz RCZKGFGVLYWPLB-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001398555891 901559593 /nfs/dbraw/zinc/55/95/93/901559593.db2.gz FUISZGHODJXBKY-SRVKXCTJSA-N 2 1 282.388 -0.547 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001398623902 901579513 /nfs/dbraw/zinc/57/95/13/901579513.db2.gz ROIKXCXXXQNSQQ-RKQHYHRCSA-N 2 1 299.415 -0.429 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001398667114 901587637 /nfs/dbraw/zinc/58/76/37/901587637.db2.gz CQUWPGVKDIZOHG-UTUOFQBUSA-N 2 1 284.404 -0.301 20 0 CBADMP CCn1nncc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399108899 901664803 /nfs/dbraw/zinc/66/48/03/901664803.db2.gz KHHCWLQMZHKZIO-VXGBXAGGSA-N 2 1 294.403 -0.156 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001399129707 901674075 /nfs/dbraw/zinc/67/40/75/901674075.db2.gz ZCDXCHBOQLEPEW-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001399129707 901674079 /nfs/dbraw/zinc/67/40/79/901674079.db2.gz ZCDXCHBOQLEPEW-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001399154398 901674380 /nfs/dbraw/zinc/67/43/80/901674380.db2.gz DWUGCXGTGPSJNQ-GHMZBOCLSA-N 2 1 297.407 -0.294 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001399154398 901674388 /nfs/dbraw/zinc/67/43/88/901674388.db2.gz DWUGCXGTGPSJNQ-GHMZBOCLSA-N 2 1 297.407 -0.294 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001399177159 901680364 /nfs/dbraw/zinc/68/03/64/901680364.db2.gz VSJCTMDQYOYPMV-WDEREUQCSA-N 2 1 270.377 -0.691 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001399250932 901688565 /nfs/dbraw/zinc/68/85/65/901688565.db2.gz YUHHVKFZGABCHA-RYUDHWBXSA-N 2 1 282.388 -0.878 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001399258758 901688670 /nfs/dbraw/zinc/68/86/70/901688670.db2.gz XCHJWLDUMNXOEQ-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001399294978 901691649 /nfs/dbraw/zinc/69/16/49/901691649.db2.gz URTDRVDJOIBUSD-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001399313182 901695935 /nfs/dbraw/zinc/69/59/35/901695935.db2.gz GGGTZYFAJBJZSB-NEPJUHHUSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001399313200 901697714 /nfs/dbraw/zinc/69/77/14/901697714.db2.gz GGGTZYFAJBJZSB-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001399324047 901699695 /nfs/dbraw/zinc/69/96/95/901699695.db2.gz QNJXJYZVANPRSH-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001399429068 901711728 /nfs/dbraw/zinc/71/17/28/901711728.db2.gz MVHDSXPFNAOHNC-MNOVXSKESA-N 2 1 295.387 -0.190 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)CCn2cncn2)C1 ZINC001399572280 901752865 /nfs/dbraw/zinc/75/28/65/901752865.db2.gz DPAVFEFRBYQBMB-CYBMUJFWSA-N 2 1 294.403 -0.332 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)CCn2cncn2)C1 ZINC001399572280 901752869 /nfs/dbraw/zinc/75/28/69/901752869.db2.gz DPAVFEFRBYQBMB-CYBMUJFWSA-N 2 1 294.403 -0.332 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)CCn2cncn2)C1 ZINC001399572280 901752881 /nfs/dbraw/zinc/75/28/81/901752881.db2.gz DPAVFEFRBYQBMB-CYBMUJFWSA-N 2 1 294.403 -0.332 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001399574925 901755162 /nfs/dbraw/zinc/75/51/62/901755162.db2.gz JPLUHHUDAHSTAP-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001399574925 901755156 /nfs/dbraw/zinc/75/51/56/901755156.db2.gz JPLUHHUDAHSTAP-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](C)C(N)=O ZINC001399720154 901779924 /nfs/dbraw/zinc/77/99/24/901779924.db2.gz IBEPMRXSANHOHI-RYUDHWBXSA-N 2 1 286.420 -0.116 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](C)C(N)=O ZINC001399720154 901779912 /nfs/dbraw/zinc/77/99/12/901779912.db2.gz IBEPMRXSANHOHI-RYUDHWBXSA-N 2 1 286.420 -0.116 20 0 CBADMP CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC001399763668 901792587 /nfs/dbraw/zinc/79/25/87/901792587.db2.gz YBWFMWNXLBKSFF-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H](C)C(=O)N(C)C ZINC001399818003 901812163 /nfs/dbraw/zinc/81/21/63/901812163.db2.gz ASCHFSVBVNARJY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H](C)C(=O)N(C)C ZINC001399818003 901812168 /nfs/dbraw/zinc/81/21/68/901812168.db2.gz ASCHFSVBVNARJY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001399896770 901828976 /nfs/dbraw/zinc/82/89/76/901828976.db2.gz DBVWSNFHGCUYRP-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001399896770 901828988 /nfs/dbraw/zinc/82/89/88/901828988.db2.gz DBVWSNFHGCUYRP-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001399896770 901828996 /nfs/dbraw/zinc/82/89/96/901828996.db2.gz DBVWSNFHGCUYRP-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001399896770 901829004 /nfs/dbraw/zinc/82/90/04/901829004.db2.gz DBVWSNFHGCUYRP-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001399922082 901836392 /nfs/dbraw/zinc/83/63/92/901836392.db2.gz DBGCNSZNVJNSIZ-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001399919763 901836463 /nfs/dbraw/zinc/83/64/63/901836463.db2.gz AKGSHLAHIJNFOQ-GFCCVEGCSA-N 2 1 294.403 -0.295 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001399919763 901836478 /nfs/dbraw/zinc/83/64/78/901836478.db2.gz AKGSHLAHIJNFOQ-GFCCVEGCSA-N 2 1 294.403 -0.295 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399936952 901839405 /nfs/dbraw/zinc/83/94/05/901839405.db2.gz YKBNHGPQHFVPOE-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001400046262 901864558 /nfs/dbraw/zinc/86/45/58/901864558.db2.gz FQDNSXXVFQPWGF-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1nnnn1C ZINC001400078873 901875390 /nfs/dbraw/zinc/87/53/90/901875390.db2.gz PJDWRYURGBMAGX-NSHDSACASA-N 2 1 297.407 -0.339 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1nnnn1C ZINC001400078873 901875394 /nfs/dbraw/zinc/87/53/94/901875394.db2.gz PJDWRYURGBMAGX-NSHDSACASA-N 2 1 297.407 -0.339 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001400226619 901900043 /nfs/dbraw/zinc/90/00/43/901900043.db2.gz CCYGVJAZCREZCT-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001400226619 901900048 /nfs/dbraw/zinc/90/00/48/901900048.db2.gz CCYGVJAZCREZCT-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001400226619 901900053 /nfs/dbraw/zinc/90/00/53/901900053.db2.gz CCYGVJAZCREZCT-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+](CC(N)=O)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001400245275 901905205 /nfs/dbraw/zinc/90/52/05/901905205.db2.gz GZHPIFIVZPEBQA-CYBMUJFWSA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001400245275 901905211 /nfs/dbraw/zinc/90/52/11/901905211.db2.gz GZHPIFIVZPEBQA-CYBMUJFWSA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001400245275 901905221 /nfs/dbraw/zinc/90/52/21/901905221.db2.gz GZHPIFIVZPEBQA-CYBMUJFWSA-N 2 1 296.415 -0.406 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001400675167 901994273 /nfs/dbraw/zinc/99/42/73/901994273.db2.gz AMUAOQZRMCPXJO-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001400675167 901994279 /nfs/dbraw/zinc/99/42/79/901994279.db2.gz AMUAOQZRMCPXJO-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001400675167 901994293 /nfs/dbraw/zinc/99/42/93/901994293.db2.gz AMUAOQZRMCPXJO-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001400675167 901994307 /nfs/dbraw/zinc/99/43/07/901994307.db2.gz AMUAOQZRMCPXJO-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001400674785 901994805 /nfs/dbraw/zinc/99/48/05/901994805.db2.gz PVHFPUFOMUBEMC-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001400674785 901994813 /nfs/dbraw/zinc/99/48/13/901994813.db2.gz PVHFPUFOMUBEMC-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001400711531 902000866 /nfs/dbraw/zinc/00/08/66/902000866.db2.gz SAZVRFCUEBKANM-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001400711531 902000883 /nfs/dbraw/zinc/00/08/83/902000883.db2.gz SAZVRFCUEBKANM-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CC(N)=O)CC1 ZINC001401072166 902046555 /nfs/dbraw/zinc/04/65/55/902046555.db2.gz KHKSIOLXCRLZLP-CYBMUJFWSA-N 2 1 296.415 -0.216 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001401106540 902054823 /nfs/dbraw/zinc/05/48/23/902054823.db2.gz JFVRBZPIZSQXBS-NEPJUHHUSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]CC(N)=O ZINC001401131829 902060956 /nfs/dbraw/zinc/06/09/56/902060956.db2.gz IDSZVWSIMHVGRY-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001401141354 902064569 /nfs/dbraw/zinc/06/45/69/902064569.db2.gz WXXWGYMESDAMNI-VXGBXAGGSA-N 2 1 284.404 -0.584 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001401205774 902078744 /nfs/dbraw/zinc/07/87/44/902078744.db2.gz UDKDYGNTPFHTJW-YPMHNXCESA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001401205774 902078756 /nfs/dbraw/zinc/07/87/56/902078756.db2.gz UDKDYGNTPFHTJW-YPMHNXCESA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001401221002 902087292 /nfs/dbraw/zinc/08/72/92/902087292.db2.gz OVXPNKKHUFRPLM-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001401391745 902117634 /nfs/dbraw/zinc/11/76/34/902117634.db2.gz UGFIDKCIQFNCKX-LLVKDONJSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001401391745 902117647 /nfs/dbraw/zinc/11/76/47/902117647.db2.gz UGFIDKCIQFNCKX-LLVKDONJSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H](CC)C(N)=O)[NH+](C)C ZINC001401394758 902121138 /nfs/dbraw/zinc/12/11/38/902121138.db2.gz JRVXFDYMGQDSKA-RYUDHWBXSA-N 2 1 286.420 -0.019 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H](CC)C(N)=O)[NH+](C)C ZINC001401394758 902121148 /nfs/dbraw/zinc/12/11/48/902121148.db2.gz JRVXFDYMGQDSKA-RYUDHWBXSA-N 2 1 286.420 -0.019 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001401434816 902124222 /nfs/dbraw/zinc/12/42/22/902124222.db2.gz FOQUCRZMQGKMMT-WDEREUQCSA-N 2 1 270.377 -0.798 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001401434816 902124225 /nfs/dbraw/zinc/12/42/25/902124225.db2.gz FOQUCRZMQGKMMT-WDEREUQCSA-N 2 1 270.377 -0.798 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401434816 902124230 /nfs/dbraw/zinc/12/42/30/902124230.db2.gz FOQUCRZMQGKMMT-WDEREUQCSA-N 2 1 270.377 -0.798 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401434816 902124234 /nfs/dbraw/zinc/12/42/34/902124234.db2.gz FOQUCRZMQGKMMT-WDEREUQCSA-N 2 1 270.377 -0.798 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001401441605 902125168 /nfs/dbraw/zinc/12/51/68/902125168.db2.gz UPSGZUSETGAYQA-CYBMUJFWSA-N 2 1 298.431 -0.193 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001401441605 902125176 /nfs/dbraw/zinc/12/51/76/902125176.db2.gz UPSGZUSETGAYQA-CYBMUJFWSA-N 2 1 298.431 -0.193 20 0 CBADMP CCN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401441605 902125181 /nfs/dbraw/zinc/12/51/81/902125181.db2.gz UPSGZUSETGAYQA-CYBMUJFWSA-N 2 1 298.431 -0.193 20 0 CBADMP CCN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401441605 902125189 /nfs/dbraw/zinc/12/51/89/902125189.db2.gz UPSGZUSETGAYQA-CYBMUJFWSA-N 2 1 298.431 -0.193 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001401491609 902138490 /nfs/dbraw/zinc/13/84/90/902138490.db2.gz GWEGMSIMZKTGLV-ZIAGYGMSSA-N 2 1 292.383 -0.258 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001401491577 902139590 /nfs/dbraw/zinc/13/95/90/902139590.db2.gz GWEGMSIMZKTGLV-KGLIPLIRSA-N 2 1 292.383 -0.258 20 0 CBADMP CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001401497997 902141141 /nfs/dbraw/zinc/14/11/41/902141141.db2.gz BEKBXGGNQNRZBW-NEPJUHHUSA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001401497997 902141147 /nfs/dbraw/zinc/14/11/47/902141147.db2.gz BEKBXGGNQNRZBW-NEPJUHHUSA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001401498011 902141723 /nfs/dbraw/zinc/14/17/23/902141723.db2.gz BEKBXGGNQNRZBW-VXGBXAGGSA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001401498011 902141730 /nfs/dbraw/zinc/14/17/30/902141730.db2.gz BEKBXGGNQNRZBW-VXGBXAGGSA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001401498002 902142804 /nfs/dbraw/zinc/14/28/04/902142804.db2.gz BEKBXGGNQNRZBW-NWDGAFQWSA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001401498002 902142808 /nfs/dbraw/zinc/14/28/08/902142808.db2.gz BEKBXGGNQNRZBW-NWDGAFQWSA-N 2 1 273.377 -0.960 20 0 CBADMP Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001401570588 902171787 /nfs/dbraw/zinc/17/17/87/902171787.db2.gz ZKYRBNKNYHBIIP-CHWSQXEVSA-N 2 1 295.387 -0.919 20 0 CBADMP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C)co1 ZINC001401585092 902176774 /nfs/dbraw/zinc/17/67/74/902176774.db2.gz KNGYTWQBADVTPP-CYBMUJFWSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C)co1 ZINC001401585092 902176778 /nfs/dbraw/zinc/17/67/78/902176778.db2.gz KNGYTWQBADVTPP-CYBMUJFWSA-N 2 1 298.387 -0.110 20 0 CBADMP CC[C@H]([NH2+]CCN(CC)C(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001401605930 902184075 /nfs/dbraw/zinc/18/40/75/902184075.db2.gz DSGFRVSZPXNQGN-LBPRGKRZSA-N 2 1 295.387 -0.106 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401610045 902189745 /nfs/dbraw/zinc/18/97/45/902189745.db2.gz MNEFEAQBKRWARV-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001401633514 902200306 /nfs/dbraw/zinc/20/03/06/902200306.db2.gz VYEXKXSFBQTKGJ-MNOVXSKESA-N 2 1 270.377 -0.689 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401670835 902219418 /nfs/dbraw/zinc/21/94/18/902219418.db2.gz RNYFKLYSMWVLNB-GHMZBOCLSA-N 2 1 270.377 -0.832 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401718896 902244130 /nfs/dbraw/zinc/24/41/30/902244130.db2.gz CDWRNIAYBKHYQL-RYUDHWBXSA-N 2 1 284.404 -0.443 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CCC[NH+]1C ZINC001401782652 902269926 /nfs/dbraw/zinc/26/99/26/902269926.db2.gz QKIGMPIRSUESNB-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CCC[NH+]1C ZINC001401782652 902269938 /nfs/dbraw/zinc/26/99/38/902269938.db2.gz QKIGMPIRSUESNB-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001401782652 902269953 /nfs/dbraw/zinc/26/99/53/902269953.db2.gz QKIGMPIRSUESNB-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001401782652 902269968 /nfs/dbraw/zinc/26/99/68/902269968.db2.gz QKIGMPIRSUESNB-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001401780472 902271079 /nfs/dbraw/zinc/27/10/79/902271079.db2.gz PYWBSVKVVDHCRM-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001401780472 902271086 /nfs/dbraw/zinc/27/10/86/902271086.db2.gz PYWBSVKVVDHCRM-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)CCC[NH+](C)C ZINC001401783322 902271759 /nfs/dbraw/zinc/27/17/59/902271759.db2.gz LJGAOVZEYFWYKY-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001401948248 902321399 /nfs/dbraw/zinc/32/13/99/902321399.db2.gz RZLOTXBMZFCFTK-NSHDSACASA-N 2 1 282.388 -0.416 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001401959366 902322876 /nfs/dbraw/zinc/32/28/76/902322876.db2.gz NRLKAUZACUHJGG-NEPJUHHUSA-N 2 1 294.399 -0.402 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001402059718 902345665 /nfs/dbraw/zinc/34/56/65/902345665.db2.gz MRNMCWIMMOYMOG-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001402066219 902352849 /nfs/dbraw/zinc/35/28/49/902352849.db2.gz FEKRMSCYEMOHLH-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001402191482 902378946 /nfs/dbraw/zinc/37/89/46/902378946.db2.gz SJBVXPBKYLYPIA-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001402191482 902378954 /nfs/dbraw/zinc/37/89/54/902378954.db2.gz SJBVXPBKYLYPIA-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001402191478 902380455 /nfs/dbraw/zinc/38/04/55/902380455.db2.gz SJBVXPBKYLYPIA-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001402191478 902380471 /nfs/dbraw/zinc/38/04/71/902380471.db2.gz SJBVXPBKYLYPIA-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001402251450 902391158 /nfs/dbraw/zinc/39/11/58/902391158.db2.gz XFJFTZIFIDVCCL-QWHCGFSZSA-N 2 1 299.415 -0.426 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001458044523 914621695 /nfs/dbraw/zinc/62/16/95/914621695.db2.gz YBZIPELONOGPAB-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001458044523 914621703 /nfs/dbraw/zinc/62/17/03/914621703.db2.gz YBZIPELONOGPAB-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](C[C@@H](C)O)C1 ZINC001402285916 902407626 /nfs/dbraw/zinc/40/76/26/902407626.db2.gz HYVCDHIYMKJJHH-OCCSQVGLSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001402285916 902407636 /nfs/dbraw/zinc/40/76/36/902407636.db2.gz HYVCDHIYMKJJHH-OCCSQVGLSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001402285916 902407640 /nfs/dbraw/zinc/40/76/40/902407640.db2.gz HYVCDHIYMKJJHH-OCCSQVGLSA-N 2 1 287.404 -0.738 20 0 CBADMP O=C(CC[NH+]1CCCCC1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001402299839 902415241 /nfs/dbraw/zinc/41/52/41/902415241.db2.gz AEJZXFIOEMFIGF-HNNXBMFYSA-N 2 1 299.415 -0.592 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001402301705 902416925 /nfs/dbraw/zinc/41/69/25/902416925.db2.gz GOMHGJDWGUGOTB-GFCCVEGCSA-N 2 1 293.371 -0.578 20 0 CBADMP COC[C@H](C)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402385638 902440050 /nfs/dbraw/zinc/44/00/50/902440050.db2.gz LQDNQBFMGLIKJF-NWDGAFQWSA-N 2 1 285.388 -0.864 20 0 CBADMP CC[C@H](C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)OC ZINC001402490315 902463555 /nfs/dbraw/zinc/46/35/55/902463555.db2.gz FAHRPPBWGMMLEN-AAVRWANBSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[C@H](C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)OC ZINC001402490315 902463560 /nfs/dbraw/zinc/46/35/60/902463560.db2.gz FAHRPPBWGMMLEN-AAVRWANBSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCc2cnc[nH]2)C1)C(N)=O ZINC001402500715 902466506 /nfs/dbraw/zinc/46/65/06/902466506.db2.gz IRBQEKLLIOTBKI-SRVKXCTJSA-N 2 1 293.371 -0.157 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001402645102 902497656 /nfs/dbraw/zinc/49/76/56/902497656.db2.gz NHASUJAEDRYOHH-XQQFMLRXSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001402645007 902498141 /nfs/dbraw/zinc/49/81/41/902498141.db2.gz PPKUHMCGUKHSRH-LLVKDONJSA-N 2 1 272.393 -0.408 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001402684325 902502964 /nfs/dbraw/zinc/50/29/64/902502964.db2.gz NQGLLFRKNODNQL-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001402684325 902502970 /nfs/dbraw/zinc/50/29/70/902502970.db2.gz NQGLLFRKNODNQL-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001402684325 902502977 /nfs/dbraw/zinc/50/29/77/902502977.db2.gz NQGLLFRKNODNQL-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001402684325 902502984 /nfs/dbraw/zinc/50/29/84/902502984.db2.gz NQGLLFRKNODNQL-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001402681888 902503392 /nfs/dbraw/zinc/50/33/92/902503392.db2.gz LHQXJZLLZJJIFD-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC1([NH2+]CCO)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001402703436 902504759 /nfs/dbraw/zinc/50/47/59/902504759.db2.gz HETLCFCVTNTESZ-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC1([NH2+]CCO)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001402703436 902504770 /nfs/dbraw/zinc/50/47/70/902504770.db2.gz HETLCFCVTNTESZ-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001402799539 902521082 /nfs/dbraw/zinc/52/10/82/902521082.db2.gz ZHTJYPNHFLSKFY-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001402858513 902542177 /nfs/dbraw/zinc/54/21/77/902542177.db2.gz QLUQIIDRDGKGCO-VHSXEESVSA-N 2 1 281.360 -0.450 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001402910207 902560846 /nfs/dbraw/zinc/56/08/46/902560846.db2.gz HAISOVFXWUVLOS-JHJVBQTASA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001402910207 902560849 /nfs/dbraw/zinc/56/08/49/902560849.db2.gz HAISOVFXWUVLOS-JHJVBQTASA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001402910207 902560853 /nfs/dbraw/zinc/56/08/53/902560853.db2.gz HAISOVFXWUVLOS-JHJVBQTASA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001402910207 902560858 /nfs/dbraw/zinc/56/08/58/902560858.db2.gz HAISOVFXWUVLOS-JHJVBQTASA-N 2 1 296.415 -0.265 20 0 CBADMP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001402936307 902567884 /nfs/dbraw/zinc/56/78/84/902567884.db2.gz IJIWHOQBSWGWOT-HTAVTVPLSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)[NH2+]CC(N)=O ZINC001402995364 902588130 /nfs/dbraw/zinc/58/81/30/902588130.db2.gz GWIDKGJNOOXFHU-VHSXEESVSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@@H]([NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)c1nncn1C ZINC001403044826 902597230 /nfs/dbraw/zinc/59/72/30/902597230.db2.gz KTPZEMSRHOFNQJ-WDEREUQCSA-N 2 1 282.392 -0.078 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001403098655 902616961 /nfs/dbraw/zinc/61/69/61/902616961.db2.gz IZPZDGHWCQUDPJ-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001403129731 902622456 /nfs/dbraw/zinc/62/24/56/902622456.db2.gz DJUWMCSNQAKMGF-MNOVXSKESA-N 2 1 295.387 -0.237 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+](C)Cc1ccccc1)[NH2+]CC(N)=O ZINC001403129414 902623042 /nfs/dbraw/zinc/62/30/42/902623042.db2.gz FDIWTDBWRDHRSD-LBPRGKRZSA-N 2 1 292.383 -0.302 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)[NH2+]CC(N)=O ZINC001403129414 902623050 /nfs/dbraw/zinc/62/30/50/902623050.db2.gz FDIWTDBWRDHRSD-LBPRGKRZSA-N 2 1 292.383 -0.302 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)CC(=O)N(C)C ZINC001403128793 902624135 /nfs/dbraw/zinc/62/41/35/902624135.db2.gz DGBFDZVYKNDLQZ-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)CC(=O)N(C)C ZINC001403128793 902624139 /nfs/dbraw/zinc/62/41/39/902624139.db2.gz DGBFDZVYKNDLQZ-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)CC(=O)N(C)C ZINC001403128793 902624143 /nfs/dbraw/zinc/62/41/43/902624143.db2.gz DGBFDZVYKNDLQZ-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)CC(=O)N(C)C ZINC001403128793 902624147 /nfs/dbraw/zinc/62/41/47/902624147.db2.gz DGBFDZVYKNDLQZ-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@@H]1CCN(C)C1=O ZINC001403181560 902638924 /nfs/dbraw/zinc/63/89/24/902638924.db2.gz ACGGWYXYCNSCJR-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001403181560 902638932 /nfs/dbraw/zinc/63/89/32/902638932.db2.gz ACGGWYXYCNSCJR-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001403181560 902638938 /nfs/dbraw/zinc/63/89/38/902638938.db2.gz ACGGWYXYCNSCJR-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@@H]1CCCNC1=O ZINC001403174202 902640553 /nfs/dbraw/zinc/64/05/53/902640553.db2.gz XQOKSFCELCTXGW-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)[C@H](C)C(N)=O ZINC001403189166 902642730 /nfs/dbraw/zinc/64/27/30/902642730.db2.gz VYFYGLHEXFEYDR-GHMZBOCLSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)[C@H](C)C(N)=O ZINC001403189166 902642743 /nfs/dbraw/zinc/64/27/43/902642743.db2.gz VYFYGLHEXFEYDR-GHMZBOCLSA-N 2 1 282.388 -0.608 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H](C)C(=O)NC ZINC001403185749 902644819 /nfs/dbraw/zinc/64/48/19/902644819.db2.gz FRTJJXMZXFWXPL-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H](C)C(=O)NC ZINC001403185749 902644832 /nfs/dbraw/zinc/64/48/32/902644832.db2.gz FRTJJXMZXFWXPL-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(=O)NC ZINC001403185749 902644844 /nfs/dbraw/zinc/64/48/44/902644844.db2.gz FRTJJXMZXFWXPL-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(=O)NC ZINC001403185749 902644855 /nfs/dbraw/zinc/64/48/55/902644855.db2.gz FRTJJXMZXFWXPL-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP O=C(Cn1ccnc1)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001403428154 902688740 /nfs/dbraw/zinc/68/87/40/902688740.db2.gz VOOZLVCJGBQTET-XYYAHUGASA-N 2 1 278.356 -0.441 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403510383 902707288 /nfs/dbraw/zinc/70/72/88/902707288.db2.gz LMRYHAHSIDVRQO-LBPRGKRZSA-N 2 1 293.371 -0.497 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001403570324 902739351 /nfs/dbraw/zinc/73/93/51/902739351.db2.gz XGKYPDMAAIMFBN-XQQFMLRXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@H]2CCNC2=O)CC[N@H+]1C ZINC001403570324 902739359 /nfs/dbraw/zinc/73/93/59/902739359.db2.gz XGKYPDMAAIMFBN-XQQFMLRXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)[C@H]2CCNC2=O)CC[NH+]1C ZINC001403570324 902739366 /nfs/dbraw/zinc/73/93/66/902739366.db2.gz XGKYPDMAAIMFBN-XQQFMLRXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)CC[NH+]1C ZINC001403570324 902739377 /nfs/dbraw/zinc/73/93/77/902739377.db2.gz XGKYPDMAAIMFBN-XQQFMLRXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccccn1)[NH+](C)C ZINC001403704717 902812393 /nfs/dbraw/zinc/81/23/93/902812393.db2.gz RHYJMVDHQHZWOT-KGLIPLIRSA-N 2 1 294.399 -0.012 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]CCO ZINC001403708185 902814623 /nfs/dbraw/zinc/81/46/23/902814623.db2.gz YRCDJBCKQFKEDY-LLVKDONJSA-N 2 1 284.360 -0.935 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC001403766389 902840511 /nfs/dbraw/zinc/84/05/11/902840511.db2.gz FXPUEUTTWWQUKP-DOMZBBRYSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC001403766389 902840530 /nfs/dbraw/zinc/84/05/30/902840530.db2.gz FXPUEUTTWWQUKP-DOMZBBRYSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001403766389 902840547 /nfs/dbraw/zinc/84/05/47/902840547.db2.gz FXPUEUTTWWQUKP-DOMZBBRYSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001403766389 902840561 /nfs/dbraw/zinc/84/05/61/902840561.db2.gz FXPUEUTTWWQUKP-DOMZBBRYSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)C[C@@H]2CCOC2)C1 ZINC001403784727 902850178 /nfs/dbraw/zinc/85/01/78/902850178.db2.gz LPONUSOIBQYMAB-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)C[C@@H]2CCOC2)C1 ZINC001403784727 902850189 /nfs/dbraw/zinc/85/01/89/902850189.db2.gz LPONUSOIBQYMAB-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)C[C@@H]2CCOC2)C1 ZINC001403784727 902850199 /nfs/dbraw/zinc/85/01/99/902850199.db2.gz LPONUSOIBQYMAB-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)C[C@@H]2CCOC2)C1 ZINC001403784727 902850208 /nfs/dbraw/zinc/85/02/08/902850208.db2.gz LPONUSOIBQYMAB-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2)[NH+](C)C ZINC001403823337 902861068 /nfs/dbraw/zinc/86/10/68/902861068.db2.gz PXKJNEJSLQZVSS-XUJVJEKNSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2)[NH+](C)C ZINC001403823337 902861083 /nfs/dbraw/zinc/86/10/83/902861083.db2.gz PXKJNEJSLQZVSS-XUJVJEKNSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@H](C)C(N)=O ZINC001403852411 902878750 /nfs/dbraw/zinc/87/87/50/902878750.db2.gz PHPJLZACYJTTJZ-YPMHNXCESA-N 2 1 296.415 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@H](C)C(N)=O ZINC001403852411 902878756 /nfs/dbraw/zinc/87/87/56/902878756.db2.gz PHPJLZACYJTTJZ-YPMHNXCESA-N 2 1 296.415 -0.360 20 0 CBADMP CO[C@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001403883383 902891270 /nfs/dbraw/zinc/89/12/70/902891270.db2.gz QDGSNCBAHIZFKJ-YPMHNXCESA-N 2 1 298.387 -0.365 20 0 CBADMP CO[C@@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001403883378 902893424 /nfs/dbraw/zinc/89/34/24/902893424.db2.gz QDGSNCBAHIZFKJ-WCQYABFASA-N 2 1 298.387 -0.365 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001403898504 902896372 /nfs/dbraw/zinc/89/63/72/902896372.db2.gz OUZKNERELGLVHB-GFCCVEGCSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@H](O)C[N@H+](C)CCF)C(=O)C12CC[NH+](CC1)C2 ZINC001403900557 902897197 /nfs/dbraw/zinc/89/71/97/902897197.db2.gz HHAJYFXRJDCCRT-GFCCVEGCSA-N 2 1 287.379 -0.197 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)C12CC[NH+](CC1)C2 ZINC001403900557 902897205 /nfs/dbraw/zinc/89/72/05/902897205.db2.gz HHAJYFXRJDCCRT-GFCCVEGCSA-N 2 1 287.379 -0.197 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001404084526 902936789 /nfs/dbraw/zinc/93/67/89/902936789.db2.gz MMXIXMRMOZSLDH-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001404084534 902938019 /nfs/dbraw/zinc/93/80/19/902938019.db2.gz MMXIXMRMOZSLDH-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001404169278 902952184 /nfs/dbraw/zinc/95/21/84/902952184.db2.gz DMSQASDAOMICQS-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCNC1=O ZINC001404169278 902952191 /nfs/dbraw/zinc/95/21/91/902952191.db2.gz DMSQASDAOMICQS-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC001404169278 902952199 /nfs/dbraw/zinc/95/21/99/902952199.db2.gz DMSQASDAOMICQS-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001404169297 902952433 /nfs/dbraw/zinc/95/24/33/902952433.db2.gz DMSQASDAOMICQS-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCNC1=O ZINC001404169297 902952439 /nfs/dbraw/zinc/95/24/39/902952439.db2.gz DMSQASDAOMICQS-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC001404169297 902952446 /nfs/dbraw/zinc/95/24/46/902952446.db2.gz DMSQASDAOMICQS-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CCC(CC(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001404208792 902954340 /nfs/dbraw/zinc/95/43/40/902954340.db2.gz MEMHSZWRJYULHO-CYBMUJFWSA-N 2 1 296.415 -0.358 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001458769798 914678664 /nfs/dbraw/zinc/67/86/64/914678664.db2.gz RJSWPNKVGWVDJB-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP O=C(C[NH+]1CCCC1)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001404307711 902965504 /nfs/dbraw/zinc/96/55/04/902965504.db2.gz IDKUAQLOFPXZRF-CYBMUJFWSA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(C[NH+]1CCCC1)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001404307711 902965509 /nfs/dbraw/zinc/96/55/09/902965509.db2.gz IDKUAQLOFPXZRF-CYBMUJFWSA-N 2 1 294.399 -0.449 20 0 CBADMP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001404317527 902969222 /nfs/dbraw/zinc/96/92/22/902969222.db2.gz IGXYUMGIGKOCDX-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001458796884 914679618 /nfs/dbraw/zinc/67/96/18/914679618.db2.gz NKQMWVGXNXOSFA-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@H](C(=O)NCC1C[NH+]([C@@H](CC)C(N)=O)C1)[NH+](C)C ZINC001404887805 903049237 /nfs/dbraw/zinc/04/92/37/903049237.db2.gz WBUXXNGGEVVHFQ-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001404929308 903056093 /nfs/dbraw/zinc/05/60/93/903056093.db2.gz IHSGUNTWMYWFNZ-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001404929308 903056106 /nfs/dbraw/zinc/05/61/06/903056106.db2.gz IHSGUNTWMYWFNZ-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001405031548 903073971 /nfs/dbraw/zinc/07/39/71/903073971.db2.gz RQSPSFSXMGGMBK-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001405031548 903073977 /nfs/dbraw/zinc/07/39/77/903073977.db2.gz RQSPSFSXMGGMBK-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001405130132 903087259 /nfs/dbraw/zinc/08/72/59/903087259.db2.gz VTAKWVAPLXXIRZ-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001405130132 903087269 /nfs/dbraw/zinc/08/72/69/903087269.db2.gz VTAKWVAPLXXIRZ-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC(N)=O ZINC001405248976 903129945 /nfs/dbraw/zinc/12/99/45/903129945.db2.gz IDLURTHCXVHEBE-GRYCIOLGSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ncnn1C ZINC001405297014 903142460 /nfs/dbraw/zinc/14/24/60/903142460.db2.gz UNRUIQFTHSMMGI-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001405332294 903148787 /nfs/dbraw/zinc/14/87/87/903148787.db2.gz HPWHPHQZYSDVNT-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nnnn1C ZINC001405357469 903153925 /nfs/dbraw/zinc/15/39/25/903153925.db2.gz ZVGVCUQEWRBGLE-NSHDSACASA-N 2 1 295.391 -0.710 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001405357034 903154711 /nfs/dbraw/zinc/15/47/11/903154711.db2.gz ZKBOQTYZLZFPDN-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nnnn1C ZINC001405357460 903155321 /nfs/dbraw/zinc/15/53/21/903155321.db2.gz ZVGVCUQEWRBGLE-LLVKDONJSA-N 2 1 295.391 -0.710 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001405711147 903207984 /nfs/dbraw/zinc/20/79/84/903207984.db2.gz AFKAQXCEGZLVPZ-GHMZBOCLSA-N 2 1 272.393 -0.458 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405748864 903211142 /nfs/dbraw/zinc/21/11/42/903211142.db2.gz ZFYOLHCPYXKREW-OLZOCXBDSA-N 2 1 298.431 -0.194 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001405853863 903239081 /nfs/dbraw/zinc/23/90/81/903239081.db2.gz WBLDEXKXHKLEQM-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001405893982 903244166 /nfs/dbraw/zinc/24/41/66/903244166.db2.gz PJMIHURBQXBQIT-UWVGGRQHSA-N 2 1 281.360 -0.498 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(N)=O ZINC001406042410 903255957 /nfs/dbraw/zinc/25/59/57/903255957.db2.gz PAJFSFBATOOQLD-NEPJUHHUSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001406060640 903258804 /nfs/dbraw/zinc/25/88/04/903258804.db2.gz CLGINTDEQUGSLV-QWRGUYRKSA-N 2 1 270.377 -0.846 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001406310492 903351049 /nfs/dbraw/zinc/35/10/49/903351049.db2.gz UFHPJPHONLBNSS-ZDUSSCGKSA-N 2 1 297.403 -0.673 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001406335200 903359484 /nfs/dbraw/zinc/35/94/84/903359484.db2.gz HWHIHRVFXZJTRQ-ZYHUDNBSSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001406335200 903359499 /nfs/dbraw/zinc/35/94/99/903359499.db2.gz HWHIHRVFXZJTRQ-ZYHUDNBSSA-N 2 1 280.376 -0.496 20 0 CBADMP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001406547116 903430700 /nfs/dbraw/zinc/43/07/00/903430700.db2.gz UPDYVETUHALSMA-CMPLNLGQSA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001406561428 903435922 /nfs/dbraw/zinc/43/59/22/903435922.db2.gz NUQGRMVJVKTHFN-QWRGUYRKSA-N 2 1 270.377 -0.691 20 0 CBADMP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001406695892 903464796 /nfs/dbraw/zinc/46/47/96/903464796.db2.gz OROJLKAXPZGXSJ-RYUDHWBXSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001406695892 903464805 /nfs/dbraw/zinc/46/48/05/903464805.db2.gz OROJLKAXPZGXSJ-RYUDHWBXSA-N 2 1 286.420 -0.149 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406693600 903465210 /nfs/dbraw/zinc/46/52/10/903465210.db2.gz MPWBAIJSOVBECQ-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406693600 903465222 /nfs/dbraw/zinc/46/52/22/903465222.db2.gz MPWBAIJSOVBECQ-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406693594 903466417 /nfs/dbraw/zinc/46/64/17/903466417.db2.gz MPWBAIJSOVBECQ-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406693594 903466434 /nfs/dbraw/zinc/46/64/34/903466434.db2.gz MPWBAIJSOVBECQ-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406704680 903467048 /nfs/dbraw/zinc/46/70/48/903467048.db2.gz XYUXBDLXKYRZIY-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001406812746 903483461 /nfs/dbraw/zinc/48/34/61/903483461.db2.gz DAAAXWPPLKSEHB-WCQYABFASA-N 2 1 298.431 -0.055 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001406841806 903489831 /nfs/dbraw/zinc/48/98/31/903489831.db2.gz BESAFIQNNLLTMR-LBPRGKRZSA-N 2 1 280.376 -0.580 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001406841806 903489835 /nfs/dbraw/zinc/48/98/35/903489835.db2.gz BESAFIQNNLLTMR-LBPRGKRZSA-N 2 1 280.376 -0.580 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001406939860 903514349 /nfs/dbraw/zinc/51/43/49/903514349.db2.gz SDEMRYQWLNSEHU-LLVKDONJSA-N 2 1 282.388 -0.545 20 0 CBADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001406990111 903525431 /nfs/dbraw/zinc/52/54/31/903525431.db2.gz SICBUZMRAARPLC-OLZOCXBDSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001407347230 903573856 /nfs/dbraw/zinc/57/38/56/903573856.db2.gz MJTSHZVWWCUTQU-DOMZBBRYSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H](O)C[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001407347230 903573861 /nfs/dbraw/zinc/57/38/61/903573861.db2.gz MJTSHZVWWCUTQU-DOMZBBRYSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H](O)C[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001407347230 903573867 /nfs/dbraw/zinc/57/38/67/903573867.db2.gz MJTSHZVWWCUTQU-DOMZBBRYSA-N 2 1 299.415 -0.596 20 0 CBADMP CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001407360231 903580675 /nfs/dbraw/zinc/58/06/75/903580675.db2.gz WRQYDSXVCMVCRP-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001407360231 903580685 /nfs/dbraw/zinc/58/06/85/903580685.db2.gz WRQYDSXVCMVCRP-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001407360231 903580696 /nfs/dbraw/zinc/58/06/96/903580696.db2.gz WRQYDSXVCMVCRP-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001407360231 903580707 /nfs/dbraw/zinc/58/07/07/903580707.db2.gz WRQYDSXVCMVCRP-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001407360233 903581138 /nfs/dbraw/zinc/58/11/38/903581138.db2.gz WRQYDSXVCMVCRP-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001407360233 903581141 /nfs/dbraw/zinc/58/11/41/903581141.db2.gz WRQYDSXVCMVCRP-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001407360233 903581150 /nfs/dbraw/zinc/58/11/50/903581150.db2.gz WRQYDSXVCMVCRP-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001407360233 903581161 /nfs/dbraw/zinc/58/11/61/903581161.db2.gz WRQYDSXVCMVCRP-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[NH+](C(C)C)C2)C1 ZINC001407377642 903588081 /nfs/dbraw/zinc/58/80/81/903588081.db2.gz RKFZTMIDMZGYLJ-ZFWWWQNUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[NH+](C(C)C)C2)C1 ZINC001407377642 903588088 /nfs/dbraw/zinc/58/80/88/903588088.db2.gz RKFZTMIDMZGYLJ-ZFWWWQNUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](C(C)C)C2)C1 ZINC001407377642 903588095 /nfs/dbraw/zinc/58/80/95/903588095.db2.gz RKFZTMIDMZGYLJ-ZFWWWQNUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@H+](C(C)C)C2)C1 ZINC001407377642 903588102 /nfs/dbraw/zinc/58/81/02/903588102.db2.gz RKFZTMIDMZGYLJ-ZFWWWQNUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H](C(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1)[NH+](C)C ZINC001407631735 903640816 /nfs/dbraw/zinc/64/08/16/903640816.db2.gz RXMZAMJMSDXZMG-GXTWGEPZSA-N 2 1 287.404 -0.738 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H]1CCOC1 ZINC001407767087 903654852 /nfs/dbraw/zinc/65/48/52/903654852.db2.gz YQZOYFVKINZUEA-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1COCC[N@H+]1C[C@H]1CCOC1 ZINC001407767087 903654862 /nfs/dbraw/zinc/65/48/62/903654862.db2.gz YQZOYFVKINZUEA-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001407795411 903660085 /nfs/dbraw/zinc/66/00/85/903660085.db2.gz BMTNEJZSONJQGM-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP CN(CCC[N@@H+](C)CC(N)=O)C(=O)C12CCC[NH+]1CCC2 ZINC001407930945 903678798 /nfs/dbraw/zinc/67/87/98/903678798.db2.gz VTVGLVFMXRVAOL-UHFFFAOYSA-N 2 1 296.415 -0.120 20 0 CBADMP CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001407947334 903682250 /nfs/dbraw/zinc/68/22/50/903682250.db2.gz JZBDLDQDINFDLN-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001408113115 903711479 /nfs/dbraw/zinc/71/14/79/903711479.db2.gz YOCHCBCNTNDGQE-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP 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 904015463 /nfs/dbraw/zinc/01/54/63/904015463.db2.gz XWHGTLBOXAMZSF-WISYIIOYSA-N 2 1 282.388 -0.894 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001410188531 904038977 /nfs/dbraw/zinc/03/89/77/904038977.db2.gz KTEXWHVOVHIMKM-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001410214858 904045196 /nfs/dbraw/zinc/04/51/96/904045196.db2.gz GATFCBVBIJNGAR-YUSALJHKSA-N 2 1 293.371 -0.450 20 0 CBADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001410329260 904067288 /nfs/dbraw/zinc/06/72/88/904067288.db2.gz WKLPWEOWFYSWFR-YPMHNXCESA-N 2 1 296.415 -0.360 20 0 CBADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001410329254 904068549 /nfs/dbraw/zinc/06/85/49/904068549.db2.gz WKLPWEOWFYSWFR-WCQYABFASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001410424260 904092458 /nfs/dbraw/zinc/09/24/58/904092458.db2.gz LVOBEORUKSHDPZ-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001410524630 904113175 /nfs/dbraw/zinc/11/31/75/904113175.db2.gz XGUJNJVHMZMBBN-NSHDSACASA-N 2 1 297.407 -0.513 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001410524630 904113177 /nfs/dbraw/zinc/11/31/77/904113177.db2.gz XGUJNJVHMZMBBN-NSHDSACASA-N 2 1 297.407 -0.513 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCO)C1 ZINC001410718851 904170811 /nfs/dbraw/zinc/17/08/11/904170811.db2.gz BVCHELNAUKYPRJ-STQMWFEESA-N 2 1 287.404 -0.833 20 0 CBADMP CNC(=O)[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001460266983 914788025 /nfs/dbraw/zinc/78/80/25/914788025.db2.gz UQWNPKDFRQZOBX-LBPRGKRZSA-N 2 1 282.388 -0.782 20 0 CBADMP CNC(=O)[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001460266983 914788041 /nfs/dbraw/zinc/78/80/41/914788041.db2.gz UQWNPKDFRQZOBX-LBPRGKRZSA-N 2 1 282.388 -0.782 20 0 CBADMP Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001410775747 904183292 /nfs/dbraw/zinc/18/32/92/904183292.db2.gz CGNGRKUNOXNVJJ-CYBMUJFWSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001410775747 904183302 /nfs/dbraw/zinc/18/33/02/904183302.db2.gz CGNGRKUNOXNVJJ-CYBMUJFWSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1nocc1C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001410775754 904183474 /nfs/dbraw/zinc/18/34/74/904183474.db2.gz CGNGRKUNOXNVJJ-ZDUSSCGKSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1nocc1C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001410775754 904183482 /nfs/dbraw/zinc/18/34/82/904183482.db2.gz CGNGRKUNOXNVJJ-ZDUSSCGKSA-N 2 1 298.387 -0.110 20 0 CBADMP COCC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC1CC1 ZINC001411218791 904268838 /nfs/dbraw/zinc/26/88/38/904268838.db2.gz VPLPUXZHVYGGJC-AWEZNQCLSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC1CC1 ZINC001411218791 904268854 /nfs/dbraw/zinc/26/88/54/904268854.db2.gz VPLPUXZHVYGGJC-AWEZNQCLSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC1CC1 ZINC001411218791 904268868 /nfs/dbraw/zinc/26/88/68/904268868.db2.gz VPLPUXZHVYGGJC-AWEZNQCLSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC1CC1 ZINC001411218791 904268882 /nfs/dbraw/zinc/26/88/82/904268882.db2.gz VPLPUXZHVYGGJC-AWEZNQCLSA-N 2 1 299.415 -0.208 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001411269121 904277730 /nfs/dbraw/zinc/27/77/30/904277730.db2.gz BJVRUUWNWLVFMQ-UNXYVOJBSA-N 2 1 284.404 -0.219 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](CCO)[C@H](CO)C2)CC1 ZINC001460967325 914843847 /nfs/dbraw/zinc/84/38/47/914843847.db2.gz QWOZVNRCUZBNLB-KBPBESRZSA-N 2 1 299.415 -0.927 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](CCO)[C@H](CO)C2)CC1 ZINC001460967325 914843868 /nfs/dbraw/zinc/84/38/68/914843868.db2.gz QWOZVNRCUZBNLB-KBPBESRZSA-N 2 1 299.415 -0.927 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC001412995175 904852410 /nfs/dbraw/zinc/85/24/10/904852410.db2.gz LCAHOJLSLWRLNU-GXTWGEPZSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC001412995175 904852430 /nfs/dbraw/zinc/85/24/30/904852430.db2.gz LCAHOJLSLWRLNU-GXTWGEPZSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC001412995175 904852448 /nfs/dbraw/zinc/85/24/48/904852448.db2.gz LCAHOJLSLWRLNU-GXTWGEPZSA-N 2 1 271.405 -0.560 20 0 CBADMP CC[C@@H](C(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001416859939 905818764 /nfs/dbraw/zinc/81/87/64/905818764.db2.gz DXOZYCVZVQMQGF-AGIUHOORSA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001417021524 905853674 /nfs/dbraw/zinc/85/36/74/905853674.db2.gz LWNSIUYPLIFHKO-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001417776885 906045496 /nfs/dbraw/zinc/04/54/96/906045496.db2.gz BSLCFOAPIINQFP-BETUJISGSA-N 2 1 298.431 -0.053 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001418021365 906138501 /nfs/dbraw/zinc/13/85/01/906138501.db2.gz LIYXUZNENLCVLF-LBPRGKRZSA-N 2 1 293.371 -0.461 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001418068301 906155805 /nfs/dbraw/zinc/15/58/05/906155805.db2.gz NBGZWIOLINDHFG-LPWJVIDDSA-N 2 1 296.415 -0.158 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)[NH+](C)C ZINC001418064625 906156498 /nfs/dbraw/zinc/15/64/98/906156498.db2.gz QBPDOMAZQZGBRO-DCAQKATOSA-N 2 1 295.391 -0.713 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001418144386 906180898 /nfs/dbraw/zinc/18/08/98/906180898.db2.gz NZGVSHVXRIBGLB-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001418227412 906229550 /nfs/dbraw/zinc/22/95/50/906229550.db2.gz OZWREWDRCHTUQG-GMTAPVOTSA-N 2 1 270.377 -0.833 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001418227414 906229887 /nfs/dbraw/zinc/22/98/87/906229887.db2.gz OZWREWDRCHTUQG-HBNTYKKESA-N 2 1 270.377 -0.833 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+][C@@H]1CCNC1=O ZINC001418272461 906254256 /nfs/dbraw/zinc/25/42/56/906254256.db2.gz CFSJXMZHMHVDPF-VXGBXAGGSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+][C@@H]1CCNC1=O ZINC001418272458 906255495 /nfs/dbraw/zinc/25/54/95/906255495.db2.gz CFSJXMZHMHVDPF-NWDGAFQWSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001418314129 906279384 /nfs/dbraw/zinc/27/93/84/906279384.db2.gz RGYDKIOAFOJCOK-WDEREUQCSA-N 2 1 272.393 -0.445 20 0 CBADMP Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001418354753 906295325 /nfs/dbraw/zinc/29/53/25/906295325.db2.gz KJZVPURNMDXWES-NSHDSACASA-N 2 1 295.391 -0.900 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)[C@H]1CCNC1=O ZINC001418564243 906409361 /nfs/dbraw/zinc/40/93/61/906409361.db2.gz DAAVYONLMIEKBW-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@@H](C)C(N)=O ZINC001418632734 906431886 /nfs/dbraw/zinc/43/18/86/906431886.db2.gz GCLOSKLRPZCVIR-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@@H](C)C(N)=O ZINC001418632734 906431892 /nfs/dbraw/zinc/43/18/92/906431892.db2.gz GCLOSKLRPZCVIR-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001418632734 906431902 /nfs/dbraw/zinc/43/19/02/906431902.db2.gz GCLOSKLRPZCVIR-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001418632734 906431909 /nfs/dbraw/zinc/43/19/09/906431909.db2.gz GCLOSKLRPZCVIR-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001418658464 906437596 /nfs/dbraw/zinc/43/75/96/906437596.db2.gz MQOUAQPHVCOJBK-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001418658464 906437604 /nfs/dbraw/zinc/43/76/04/906437604.db2.gz MQOUAQPHVCOJBK-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001418658464 906437610 /nfs/dbraw/zinc/43/76/10/906437610.db2.gz MQOUAQPHVCOJBK-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001418646698 906437841 /nfs/dbraw/zinc/43/78/41/906437841.db2.gz MATFBGWYRMOCCN-MQYQWHSLSA-N 2 1 299.415 -0.570 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001418801277 906475292 /nfs/dbraw/zinc/47/52/92/906475292.db2.gz KQGFRKKBZOZVGJ-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001418801277 906475301 /nfs/dbraw/zinc/47/53/01/906475301.db2.gz KQGFRKKBZOZVGJ-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001418801277 906475308 /nfs/dbraw/zinc/47/53/08/906475308.db2.gz KQGFRKKBZOZVGJ-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001418801277 906475314 /nfs/dbraw/zinc/47/53/14/906475314.db2.gz KQGFRKKBZOZVGJ-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001418908249 906507772 /nfs/dbraw/zinc/50/77/72/906507772.db2.gz RXMLEKUHYUIUTJ-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001418908249 906507784 /nfs/dbraw/zinc/50/77/84/906507784.db2.gz RXMLEKUHYUIUTJ-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001418908249 906507796 /nfs/dbraw/zinc/50/77/96/906507796.db2.gz RXMLEKUHYUIUTJ-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418905458 906509496 /nfs/dbraw/zinc/50/94/96/906509496.db2.gz SCWAUKVVZYRSRT-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@H]2CC[NH+](CCO)C2)C1 ZINC001418915794 906515412 /nfs/dbraw/zinc/51/54/12/906515412.db2.gz BCEYQHVVMJABTM-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@H]2CC[NH+](CCO)C2)C1 ZINC001418915794 906515425 /nfs/dbraw/zinc/51/54/25/906515425.db2.gz BCEYQHVVMJABTM-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@H]2CC[N@H+](CCO)C2)C1 ZINC001418915794 906515442 /nfs/dbraw/zinc/51/54/42/906515442.db2.gz BCEYQHVVMJABTM-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001418915794 906515457 /nfs/dbraw/zinc/51/54/57/906515457.db2.gz BCEYQHVVMJABTM-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001418915795 906515974 /nfs/dbraw/zinc/51/59/74/906515974.db2.gz BCEYQHVVMJABTM-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001418915795 906515991 /nfs/dbraw/zinc/51/59/91/906515991.db2.gz BCEYQHVVMJABTM-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001418915795 906516005 /nfs/dbraw/zinc/51/60/05/906516005.db2.gz BCEYQHVVMJABTM-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001418915795 906516024 /nfs/dbraw/zinc/51/60/24/906516024.db2.gz BCEYQHVVMJABTM-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+](CC(N)=O)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001418939667 906523036 /nfs/dbraw/zinc/52/30/36/906523036.db2.gz FRBUGUBLULWCGB-ZDUSSCGKSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001418939667 906523044 /nfs/dbraw/zinc/52/30/44/906523044.db2.gz FRBUGUBLULWCGB-ZDUSSCGKSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001418939667 906523054 /nfs/dbraw/zinc/52/30/54/906523054.db2.gz FRBUGUBLULWCGB-ZDUSSCGKSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H](O)CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001419013322 906562328 /nfs/dbraw/zinc/56/23/28/906562328.db2.gz DCAFRLAHSQSSRO-OCCSQVGLSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](O)CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001419013322 906562341 /nfs/dbraw/zinc/56/23/41/906562341.db2.gz DCAFRLAHSQSSRO-OCCSQVGLSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001419075487 906586531 /nfs/dbraw/zinc/58/65/31/906586531.db2.gz DVLRSURKGRJMRR-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001419075487 906586542 /nfs/dbraw/zinc/58/65/42/906586542.db2.gz DVLRSURKGRJMRR-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001419105035 906595259 /nfs/dbraw/zinc/59/52/59/906595259.db2.gz DYXFGUDMTOAKLS-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001419105035 906595270 /nfs/dbraw/zinc/59/52/70/906595270.db2.gz DYXFGUDMTOAKLS-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001419093086 906596505 /nfs/dbraw/zinc/59/65/05/906596505.db2.gz AABLFIJGDJCOOU-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001419138544 906607042 /nfs/dbraw/zinc/60/70/42/906607042.db2.gz JOAXTPLBWSOQSM-OCCSQVGLSA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001419138544 906607055 /nfs/dbraw/zinc/60/70/55/906607055.db2.gz JOAXTPLBWSOQSM-OCCSQVGLSA-N 2 1 298.431 -0.149 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001419144136 906611734 /nfs/dbraw/zinc/61/17/34/906611734.db2.gz YFNRJGVORPPBBO-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001419144136 906611740 /nfs/dbraw/zinc/61/17/40/906611740.db2.gz YFNRJGVORPPBBO-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001419144136 906611748 /nfs/dbraw/zinc/61/17/48/906611748.db2.gz YFNRJGVORPPBBO-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001419144136 906611756 /nfs/dbraw/zinc/61/17/56/906611756.db2.gz YFNRJGVORPPBBO-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001419219774 906639866 /nfs/dbraw/zinc/63/98/66/906639866.db2.gz OYRWVKLMYFIASU-GHMZBOCLSA-N 2 1 297.407 -0.465 20 0 CBADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@@H](CC)C(N)=O ZINC001419287421 906657833 /nfs/dbraw/zinc/65/78/33/906657833.db2.gz QJYUMAGZXIVYNN-RYUDHWBXSA-N 2 1 295.387 -0.060 20 0 CBADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@H](CC)C(N)=O ZINC001419287423 906658694 /nfs/dbraw/zinc/65/86/94/906658694.db2.gz QJYUMAGZXIVYNN-VXGBXAGGSA-N 2 1 295.387 -0.060 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001419315648 906663776 /nfs/dbraw/zinc/66/37/76/906663776.db2.gz BWYLTGBZXBRMTF-CHWSQXEVSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001419315648 906663785 /nfs/dbraw/zinc/66/37/85/906663785.db2.gz BWYLTGBZXBRMTF-CHWSQXEVSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(N)=O ZINC001419421191 906682063 /nfs/dbraw/zinc/68/20/63/906682063.db2.gz GBRMOMHPMZVILQ-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001419422437 906682521 /nfs/dbraw/zinc/68/25/21/906682521.db2.gz HVOAEFLORZBVFS-FDYHWXHSSA-N 2 1 296.415 -0.301 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001419412202 906682803 /nfs/dbraw/zinc/68/28/03/906682803.db2.gz JQIFXXMFYXUROK-YVECIDJPSA-N 2 1 296.415 -0.301 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001419422445 906683105 /nfs/dbraw/zinc/68/31/05/906683105.db2.gz HVOAEFLORZBVFS-YVECIDJPSA-N 2 1 296.415 -0.301 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001419422441 906683526 /nfs/dbraw/zinc/68/35/26/906683526.db2.gz HVOAEFLORZBVFS-RNJOBUHISA-N 2 1 296.415 -0.301 20 0 CBADMP CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001419490290 906705841 /nfs/dbraw/zinc/70/58/41/906705841.db2.gz XRTZZUBIXQILTQ-ZYHUDNBSSA-N 2 1 295.387 -0.203 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001419516829 906710814 /nfs/dbraw/zinc/71/08/14/906710814.db2.gz WLTADIXUFQGGIT-OLZOCXBDSA-N 2 1 298.431 -0.194 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001419537535 906715362 /nfs/dbraw/zinc/71/53/62/906715362.db2.gz DUXBXNUAOCKDCM-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001419560226 906725872 /nfs/dbraw/zinc/72/58/72/906725872.db2.gz RFNJAZQLIJBVHY-GFCCVEGCSA-N 2 1 282.388 -0.604 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001419560226 906725884 /nfs/dbraw/zinc/72/58/84/906725884.db2.gz RFNJAZQLIJBVHY-GFCCVEGCSA-N 2 1 282.388 -0.604 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001419617799 906743314 /nfs/dbraw/zinc/74/33/14/906743314.db2.gz AXNAZWRXTVKKOY-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001419680273 906764911 /nfs/dbraw/zinc/76/49/11/906764911.db2.gz FSSADUPVGBVBKT-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)C[NH+]1CCCC1 ZINC001419741534 906797615 /nfs/dbraw/zinc/79/76/15/906797615.db2.gz DSQDUCPLESQLOR-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001419787496 906815090 /nfs/dbraw/zinc/81/50/90/906815090.db2.gz HFNQDRINUFAYQK-MWLCHTKSSA-N 2 1 281.360 -0.580 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001419825576 906824187 /nfs/dbraw/zinc/82/41/87/906824187.db2.gz QEVVEAFESFWOMG-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001419848554 906831450 /nfs/dbraw/zinc/83/14/50/906831450.db2.gz JAXOEUWGHUBNKT-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001419848579 906831621 /nfs/dbraw/zinc/83/16/21/906831621.db2.gz JQIGSPMCXPRKIY-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001419902622 906848754 /nfs/dbraw/zinc/84/87/54/906848754.db2.gz ONHURLQBDFNSMP-NEPJUHHUSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001419909064 906853069 /nfs/dbraw/zinc/85/30/69/906853069.db2.gz QHBPOLNDWQMNTI-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001419925275 906857961 /nfs/dbraw/zinc/85/79/61/906857961.db2.gz OQWYSAWTICYSEJ-MNOVXSKESA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001419925275 906857972 /nfs/dbraw/zinc/85/79/72/906857972.db2.gz OQWYSAWTICYSEJ-MNOVXSKESA-N 2 1 280.376 -0.639 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001419943351 906865326 /nfs/dbraw/zinc/86/53/26/906865326.db2.gz YXEBOWAWNWRNFF-LLVKDONJSA-N 2 1 272.393 -0.443 20 0 CBADMP CN(CCN(C)C(=O)[C@H]1CCCC[N@H+]1C)CC(N)=O ZINC001419973686 906881842 /nfs/dbraw/zinc/88/18/42/906881842.db2.gz UNMMEZFVGVOFFL-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N[C@H]2C[NH+](C)CC2(C)C)C1 ZINC001420011732 906893218 /nfs/dbraw/zinc/89/32/18/906893218.db2.gz JVLPGXOPXMBIHB-ZDUSSCGKSA-N 2 1 282.432 -0.064 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2C[N@H+](C)CC2(C)C)C1 ZINC001420011732 906893229 /nfs/dbraw/zinc/89/32/29/906893229.db2.gz JVLPGXOPXMBIHB-ZDUSSCGKSA-N 2 1 282.432 -0.064 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2C[N@@H+](C)CC2(C)C)C1 ZINC001420011732 906893247 /nfs/dbraw/zinc/89/32/47/906893247.db2.gz JVLPGXOPXMBIHB-ZDUSSCGKSA-N 2 1 282.432 -0.064 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001420006777 906893877 /nfs/dbraw/zinc/89/38/77/906893877.db2.gz MMONJKCIOHNIBT-NSHDSACASA-N 2 1 272.393 -0.537 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001420006777 906893887 /nfs/dbraw/zinc/89/38/87/906893887.db2.gz MMONJKCIOHNIBT-NSHDSACASA-N 2 1 272.393 -0.537 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[C@H]([NH2+]CCO)C1 ZINC001420009544 906894469 /nfs/dbraw/zinc/89/44/69/906894469.db2.gz CHLJAIBMJLDTAK-UONOGXRCSA-N 2 1 299.415 -0.282 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001420010517 906895263 /nfs/dbraw/zinc/89/52/63/906895263.db2.gz IDSNOHISBMRZLL-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001420010494 906895671 /nfs/dbraw/zinc/89/56/71/906895671.db2.gz IDSNOHISBMRZLL-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001420050863 906912055 /nfs/dbraw/zinc/91/20/55/906912055.db2.gz OOOPMCDWBXTMLT-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001420050863 906912064 /nfs/dbraw/zinc/91/20/64/906912064.db2.gz OOOPMCDWBXTMLT-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH2+]C[C@H](O)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001420142078 906965737 /nfs/dbraw/zinc/96/57/37/906965737.db2.gz HAQWVPCASRJKHD-VIFPVBQESA-N 2 1 270.333 -0.564 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC[C@@H]1CCOC1 ZINC001420194812 907008552 /nfs/dbraw/zinc/00/85/52/907008552.db2.gz HYDRZBCBLMBOIW-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC[C@@H]1CCOC1 ZINC001420194812 907008566 /nfs/dbraw/zinc/00/85/66/907008566.db2.gz HYDRZBCBLMBOIW-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)CC[C@@H]1CCOC1 ZINC001420194812 907008583 /nfs/dbraw/zinc/00/85/83/907008583.db2.gz HYDRZBCBLMBOIW-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC[C@@H]1CCOC1 ZINC001420194812 907008606 /nfs/dbraw/zinc/00/86/06/907008606.db2.gz HYDRZBCBLMBOIW-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]C(C)C)C1 ZINC001420211744 907019978 /nfs/dbraw/zinc/01/99/78/907019978.db2.gz IXAFFVPMPWDWNE-NEPJUHHUSA-N 2 1 273.377 -0.818 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]C(C)C)C1 ZINC001420211744 907019995 /nfs/dbraw/zinc/01/99/95/907019995.db2.gz IXAFFVPMPWDWNE-NEPJUHHUSA-N 2 1 273.377 -0.818 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001420243520 907044150 /nfs/dbraw/zinc/04/41/50/907044150.db2.gz JMUQRLSTZTXPHL-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001420243520 907044162 /nfs/dbraw/zinc/04/41/62/907044162.db2.gz JMUQRLSTZTXPHL-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001420319293 907096873 /nfs/dbraw/zinc/09/68/73/907096873.db2.gz JEKUMCVPZRMTFD-SNVBAGLBSA-N 2 1 281.360 -0.578 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001420325151 907102164 /nfs/dbraw/zinc/10/21/64/907102164.db2.gz QRNKTDMSQMOQHL-AGIUHOORSA-N 2 1 298.431 -0.053 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)C2 ZINC001420338940 907106694 /nfs/dbraw/zinc/10/66/94/907106694.db2.gz OPTYIKOCSCIJPL-MWLCHTKSSA-N 2 1 293.371 -0.666 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC1CC1 ZINC001420369896 907123260 /nfs/dbraw/zinc/12/32/60/907123260.db2.gz PAKLPZVXXYMYCZ-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC1CC1 ZINC001420369896 907123272 /nfs/dbraw/zinc/12/32/72/907123272.db2.gz PAKLPZVXXYMYCZ-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)NC1CC1 ZINC001420369896 907123278 /nfs/dbraw/zinc/12/32/78/907123278.db2.gz PAKLPZVXXYMYCZ-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)NC1CC1 ZINC001420369896 907123282 /nfs/dbraw/zinc/12/32/82/907123282.db2.gz PAKLPZVXXYMYCZ-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001420366295 907125007 /nfs/dbraw/zinc/12/50/07/907125007.db2.gz OENAJFVMWPKEQP-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001420366295 907125014 /nfs/dbraw/zinc/12/50/14/907125014.db2.gz OENAJFVMWPKEQP-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[N@H+](CCNC(=O)CC[NH+](C)C)CC(=O)N(C)C ZINC001420423697 907155725 /nfs/dbraw/zinc/15/57/25/907155725.db2.gz DHIOJCXPDCHFAP-UHFFFAOYSA-N 2 1 272.393 -0.536 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)CC(=O)N(C)C ZINC001420423697 907155732 /nfs/dbraw/zinc/15/57/32/907155732.db2.gz DHIOJCXPDCHFAP-UHFFFAOYSA-N 2 1 272.393 -0.536 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001420432988 907157957 /nfs/dbraw/zinc/15/79/57/907157957.db2.gz BAYRAGHDIIWZSZ-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(=O)N(C)C ZINC001420434281 907158486 /nfs/dbraw/zinc/15/84/86/907158486.db2.gz GQDPXMQCZMFZRE-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(=O)N(C)C ZINC001420434281 907158493 /nfs/dbraw/zinc/15/84/93/907158493.db2.gz GQDPXMQCZMFZRE-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)CC(=O)N(C)C ZINC001420434281 907158499 /nfs/dbraw/zinc/15/84/99/907158499.db2.gz GQDPXMQCZMFZRE-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CC(=O)N(C)C ZINC001420434281 907158507 /nfs/dbraw/zinc/15/85/07/907158507.db2.gz GQDPXMQCZMFZRE-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](CCNC(=O)CC[N@H+](C)CC)[C@H]1CCNC1=O ZINC001420436167 907159992 /nfs/dbraw/zinc/15/99/92/907159992.db2.gz GEHUJALZLZYFJM-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](CC)[C@H]1CCNC1=O ZINC001420436167 907160003 /nfs/dbraw/zinc/16/00/03/907160003.db2.gz GEHUJALZLZYFJM-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](CC)[C@H]1CCNC1=O ZINC001420436167 907160017 /nfs/dbraw/zinc/16/00/17/907160017.db2.gz GEHUJALZLZYFJM-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC ZINC001420437613 907161448 /nfs/dbraw/zinc/16/14/48/907161448.db2.gz MMRXSRKGVQQBBL-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC ZINC001420437613 907161468 /nfs/dbraw/zinc/16/14/68/907161468.db2.gz MMRXSRKGVQQBBL-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)NC ZINC001420437613 907161491 /nfs/dbraw/zinc/16/14/91/907161491.db2.gz MMRXSRKGVQQBBL-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC ZINC001420437613 907161506 /nfs/dbraw/zinc/16/15/06/907161506.db2.gz MMRXSRKGVQQBBL-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001420499406 907183592 /nfs/dbraw/zinc/18/35/92/907183592.db2.gz GHWWHGCJESRXPS-QWRGUYRKSA-N 2 1 270.377 -0.689 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001420503203 907186095 /nfs/dbraw/zinc/18/60/95/907186095.db2.gz OXFLCHMSDVWUBB-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001420503203 907186104 /nfs/dbraw/zinc/18/61/04/907186104.db2.gz OXFLCHMSDVWUBB-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001420555119 907206956 /nfs/dbraw/zinc/20/69/56/907206956.db2.gz WZIJROOTFOADQD-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001420555119 907206974 /nfs/dbraw/zinc/20/69/74/907206974.db2.gz WZIJROOTFOADQD-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001420555119 907206985 /nfs/dbraw/zinc/20/69/85/907206985.db2.gz WZIJROOTFOADQD-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001420690610 907270992 /nfs/dbraw/zinc/27/09/92/907270992.db2.gz WJOQVSUXUABYRK-NSHDSACASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001420690610 907271009 /nfs/dbraw/zinc/27/10/09/907271009.db2.gz WJOQVSUXUABYRK-NSHDSACASA-N 2 1 296.415 -0.217 20 0 CBADMP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001420711481 907272710 /nfs/dbraw/zinc/27/27/10/907272710.db2.gz CRYMZRVGUKEBFW-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CCNC(=O)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001420706672 907273111 /nfs/dbraw/zinc/27/31/11/907273111.db2.gz QXUFLGCEWMVBSF-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001420706672 907273127 /nfs/dbraw/zinc/27/31/27/907273127.db2.gz QXUFLGCEWMVBSF-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001420706672 907273141 /nfs/dbraw/zinc/27/31/41/907273141.db2.gz QXUFLGCEWMVBSF-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001420706672 907273156 /nfs/dbraw/zinc/27/31/56/907273156.db2.gz QXUFLGCEWMVBSF-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)CC[N@H+]1C ZINC001420736797 907289551 /nfs/dbraw/zinc/28/95/51/907289551.db2.gz MMHBRDVFZKXLBJ-RWMBFGLXSA-N 2 1 296.415 -0.314 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC ZINC001420739234 907291453 /nfs/dbraw/zinc/29/14/53/907291453.db2.gz JMTISVLRUAZQKH-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001420887131 907336338 /nfs/dbraw/zinc/33/63/38/907336338.db2.gz LUAJTDSYNIXFRH-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001420887131 907336351 /nfs/dbraw/zinc/33/63/51/907336351.db2.gz LUAJTDSYNIXFRH-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001420887131 907336373 /nfs/dbraw/zinc/33/63/73/907336373.db2.gz LUAJTDSYNIXFRH-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(N)=O ZINC001420939940 907362477 /nfs/dbraw/zinc/36/24/77/907362477.db2.gz IOQYPEYTLWQGNT-GMTAPVOTSA-N 2 1 282.388 -0.561 20 0 CBADMP COC[C@H](O)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001420976959 907381986 /nfs/dbraw/zinc/38/19/86/907381986.db2.gz MOSOTONFBINYPL-QWHCGFSZSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2cnnn2C)CC1 ZINC001420995570 907389623 /nfs/dbraw/zinc/38/96/23/907389623.db2.gz YINBYRXIDJEUHP-UHFFFAOYSA-N 2 1 294.403 -0.105 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001421008458 907393274 /nfs/dbraw/zinc/39/32/74/907393274.db2.gz ZLHALEPHDBVTGU-PHIMTYICSA-N 2 1 282.388 -0.417 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1 ZINC001421007159 907393347 /nfs/dbraw/zinc/39/33/47/907393347.db2.gz VUHYMZYCWNNJKP-RYUDHWBXSA-N 2 1 296.415 -0.027 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001421097042 907425730 /nfs/dbraw/zinc/42/57/30/907425730.db2.gz AATIGKJFBOQUSY-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP COC[C@H](O)C[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001421137833 907443714 /nfs/dbraw/zinc/44/37/14/907443714.db2.gz OBBAIQANEFSOFK-CQSZACIVSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[C@@H](C(=O)NC1(C)CC[NH+](CC(N)=O)CC1)[NH+](C)C ZINC001421167334 907446262 /nfs/dbraw/zinc/44/62/62/907446262.db2.gz YIVLNTAUBKUDJT-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(=O)NCC1C[NH+]([C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001421161639 907446723 /nfs/dbraw/zinc/44/67/23/907446723.db2.gz WRGOLTRXIDHKKL-CHWSQXEVSA-N 2 1 296.415 -0.395 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001421182568 907450587 /nfs/dbraw/zinc/45/05/87/907450587.db2.gz GVSNIKUKPXZZJG-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001421182568 907450599 /nfs/dbraw/zinc/45/05/99/907450599.db2.gz GVSNIKUKPXZZJG-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CN1CC[C@@H]([NH+]2CC(CNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001421170003 907452469 /nfs/dbraw/zinc/45/24/69/907452469.db2.gz INNHXNRELAUSOT-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001421182571 907454007 /nfs/dbraw/zinc/45/40/07/907454007.db2.gz GVSNIKUKPXZZJG-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001421182571 907454017 /nfs/dbraw/zinc/45/40/17/907454017.db2.gz GVSNIKUKPXZZJG-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001421293083 907483426 /nfs/dbraw/zinc/48/34/26/907483426.db2.gz XBNJJPXRBZMPFR-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001421293083 907483437 /nfs/dbraw/zinc/48/34/37/907483437.db2.gz XBNJJPXRBZMPFR-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001421384566 907516429 /nfs/dbraw/zinc/51/64/29/907516429.db2.gz RKVNXLYUZGGEFV-QWRGUYRKSA-N 2 1 295.391 -0.711 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001421384566 907516443 /nfs/dbraw/zinc/51/64/43/907516443.db2.gz RKVNXLYUZGGEFV-QWRGUYRKSA-N 2 1 295.391 -0.711 20 0 CBADMP CC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001421391818 907521973 /nfs/dbraw/zinc/52/19/73/907521973.db2.gz ICVMSGAPQHOHAO-AWEZNQCLSA-N 2 1 285.388 -0.718 20 0 CBADMP CC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001421391818 907521984 /nfs/dbraw/zinc/52/19/84/907521984.db2.gz ICVMSGAPQHOHAO-AWEZNQCLSA-N 2 1 285.388 -0.718 20 0 CBADMP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001421421372 907540278 /nfs/dbraw/zinc/54/02/78/907540278.db2.gz KFNPEGZJWPUKCA-DGCLKSJQSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001421483271 907563349 /nfs/dbraw/zinc/56/33/49/907563349.db2.gz AHJJQHNLRVXVKE-NWDGAFQWSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(C)C ZINC001421488412 907568794 /nfs/dbraw/zinc/56/87/94/907568794.db2.gz INLUGEGNBPTXBD-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@@H](C)C(=O)NC ZINC001421503456 907569212 /nfs/dbraw/zinc/56/92/12/907569212.db2.gz UFBXMCLWYWHJAI-NWDGAFQWSA-N 2 1 286.420 -0.055 20 0 CBADMP CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]CC(=O)N(C)C ZINC001421493081 907570446 /nfs/dbraw/zinc/57/04/46/907570446.db2.gz DEHHAONJJDHMEH-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001421517531 907571540 /nfs/dbraw/zinc/57/15/40/907571540.db2.gz AMTZHGFMZINESS-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001421727579 907626069 /nfs/dbraw/zinc/62/60/69/907626069.db2.gz IKUFGJQLDSSBIP-LLVKDONJSA-N 2 1 295.387 -0.378 20 0 CBADMP CN(CCC[N@@H+](C)CC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001421866943 907664621 /nfs/dbraw/zinc/66/46/21/907664621.db2.gz MXOPLUMVCBYBEO-UHFFFAOYSA-N 2 1 284.404 -0.406 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421989640 907699104 /nfs/dbraw/zinc/69/91/04/907699104.db2.gz MESHZSYHLMAUSJ-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001422012542 907701794 /nfs/dbraw/zinc/70/17/94/907701794.db2.gz GYINKBMXPVUEFR-QWHCGFSZSA-N 2 1 298.431 -0.066 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001422029824 907703715 /nfs/dbraw/zinc/70/37/15/907703715.db2.gz MJVHITCFRUOAQF-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)[C@@H](C)C1 ZINC001422042410 907706766 /nfs/dbraw/zinc/70/67/66/907706766.db2.gz DOHKWYIIFKCCAY-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]([NH2+]CC(N)=O)C(C)C ZINC001422104211 907717877 /nfs/dbraw/zinc/71/78/77/907717877.db2.gz JJKWAJMACNFVAZ-NSHDSACASA-N 2 1 281.360 -0.593 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)N(C)C ZINC001422128007 907719521 /nfs/dbraw/zinc/71/95/21/907719521.db2.gz OFBMZQSHEGWKAS-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001422111513 907720140 /nfs/dbraw/zinc/72/01/40/907720140.db2.gz XOSXMDZWSCYPMH-RYUDHWBXSA-N 2 1 284.404 -0.456 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001422198818 907742562 /nfs/dbraw/zinc/74/25/62/907742562.db2.gz LNBGGDXUWQDUTO-AVGNSLFASA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001422198818 907742567 /nfs/dbraw/zinc/74/25/67/907742567.db2.gz LNBGGDXUWQDUTO-AVGNSLFASA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001422198818 907742574 /nfs/dbraw/zinc/74/25/74/907742574.db2.gz LNBGGDXUWQDUTO-AVGNSLFASA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001422198818 907742582 /nfs/dbraw/zinc/74/25/82/907742582.db2.gz LNBGGDXUWQDUTO-AVGNSLFASA-N 2 1 298.431 -0.019 20 0 CBADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC001422268149 907771218 /nfs/dbraw/zinc/77/12/18/907771218.db2.gz SSGMWIWICHRNOO-OLZOCXBDSA-N 2 1 295.387 -0.919 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCOC1)C1CCC1 ZINC001422321127 907796496 /nfs/dbraw/zinc/79/64/96/907796496.db2.gz WPXRQGYGTOBIMD-TZMCWYRMSA-N 2 1 299.415 -0.426 20 0 CBADMP Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)nc1 ZINC001422348916 907815165 /nfs/dbraw/zinc/81/51/65/907815165.db2.gz PPBVDUCQVVPOMQ-GFCCVEGCSA-N 2 1 295.387 -0.697 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001422414127 907848693 /nfs/dbraw/zinc/84/86/93/907848693.db2.gz XFOWXUKCSJTEER-STQMWFEESA-N 2 1 298.387 -0.110 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001422436803 907856897 /nfs/dbraw/zinc/85/68/97/907856897.db2.gz KEUSATFENWAUOO-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001422454361 907866432 /nfs/dbraw/zinc/86/64/32/907866432.db2.gz YXNYFRNIZHEXRT-PWSUYJOCSA-N 2 1 293.371 -0.436 20 0 CBADMP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001422516690 907900334 /nfs/dbraw/zinc/90/03/34/907900334.db2.gz BVZPGGUQLSVHHD-WDEREUQCSA-N 2 1 272.393 -0.491 20 0 CBADMP CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001422516690 907900348 /nfs/dbraw/zinc/90/03/48/907900348.db2.gz BVZPGGUQLSVHHD-WDEREUQCSA-N 2 1 272.393 -0.491 20 0 CBADMP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001422534054 907911007 /nfs/dbraw/zinc/91/10/07/907911007.db2.gz CXXYPNJEQKVVQE-GMTAPVOTSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@@H+](C)[C@H]1CCNC1=O ZINC001422556395 907920426 /nfs/dbraw/zinc/92/04/26/907920426.db2.gz ZKLDBTGKXJBTQC-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)CC(=O)N(C)C ZINC001422569525 907923734 /nfs/dbraw/zinc/92/37/34/907923734.db2.gz UKTACQKTMDZHED-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@@H+](C)CC(=O)N(C)C ZINC001422569525 907923748 /nfs/dbraw/zinc/92/37/48/907923748.db2.gz UKTACQKTMDZHED-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001422693967 907975874 /nfs/dbraw/zinc/97/58/74/907975874.db2.gz AJLOLQGEWASAKS-QWRGUYRKSA-N 2 1 286.420 -0.068 20 0 CBADMP C[C@@H](NC(=O)CCC[NH+](C)C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001422728761 907989770 /nfs/dbraw/zinc/98/97/70/907989770.db2.gz FAFARXJHVSNSCJ-YPMHNXCESA-N 2 1 296.415 -0.347 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422745201 907994670 /nfs/dbraw/zinc/99/46/70/907994670.db2.gz QBRLNEREWCMRSR-QJPTWQEYSA-N 2 1 273.377 -0.960 20 0 CBADMP CCn1cc(C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)nn1 ZINC001422746687 907996042 /nfs/dbraw/zinc/99/60/42/907996042.db2.gz PIFISFABKLADTC-LBPRGKRZSA-N 2 1 294.403 -0.012 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001422819341 908022236 /nfs/dbraw/zinc/02/22/36/908022236.db2.gz DBQHMZIBUGDNLG-PWSUYJOCSA-N 2 1 272.393 -0.506 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001422819341 908022254 /nfs/dbraw/zinc/02/22/54/908022254.db2.gz DBQHMZIBUGDNLG-PWSUYJOCSA-N 2 1 272.393 -0.506 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001422826649 908026355 /nfs/dbraw/zinc/02/63/55/908026355.db2.gz RMKFEGYKNXGBAM-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[NH+](C)C ZINC001422858124 908037681 /nfs/dbraw/zinc/03/76/81/908037681.db2.gz XLBHNBVQIOOHEL-FQUUOJAGSA-N 2 1 283.416 -0.141 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001422872589 908045907 /nfs/dbraw/zinc/04/59/07/908045907.db2.gz AORHFPQZDMQSOL-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001422872589 908045915 /nfs/dbraw/zinc/04/59/15/908045915.db2.gz AORHFPQZDMQSOL-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001422872589 908045924 /nfs/dbraw/zinc/04/59/24/908045924.db2.gz AORHFPQZDMQSOL-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001422872589 908045933 /nfs/dbraw/zinc/04/59/33/908045933.db2.gz AORHFPQZDMQSOL-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001422906185 908051499 /nfs/dbraw/zinc/05/14/99/908051499.db2.gz MNDULGAGVQMDSU-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001422909490 908053545 /nfs/dbraw/zinc/05/35/45/908053545.db2.gz GBWQHNISUQHRFW-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001422909490 908053558 /nfs/dbraw/zinc/05/35/58/908053558.db2.gz GBWQHNISUQHRFW-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422909490 908053573 /nfs/dbraw/zinc/05/35/73/908053573.db2.gz GBWQHNISUQHRFW-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422909490 908053587 /nfs/dbraw/zinc/05/35/87/908053587.db2.gz GBWQHNISUQHRFW-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001422940269 908060962 /nfs/dbraw/zinc/06/09/62/908060962.db2.gz YINVJMOPNYALDG-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001422940269 908060985 /nfs/dbraw/zinc/06/09/85/908060985.db2.gz YINVJMOPNYALDG-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001423037215 908082552 /nfs/dbraw/zinc/08/25/52/908082552.db2.gz FHTGVEQDDZZCPM-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001423095302 908105580 /nfs/dbraw/zinc/10/55/80/908105580.db2.gz UETDRWIPTWBYNQ-RYUDHWBXSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001423095302 908105589 /nfs/dbraw/zinc/10/55/89/908105589.db2.gz UETDRWIPTWBYNQ-RYUDHWBXSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001423169028 908123913 /nfs/dbraw/zinc/12/39/13/908123913.db2.gz HBSOAZYSPSPOTF-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccns1 ZINC001423186706 908138050 /nfs/dbraw/zinc/13/80/50/908138050.db2.gz BDFQASMUXJJSBA-PWSUYJOCSA-N 2 1 298.412 -0.196 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccns1 ZINC001423186706 908138061 /nfs/dbraw/zinc/13/80/61/908138061.db2.gz BDFQASMUXJJSBA-PWSUYJOCSA-N 2 1 298.412 -0.196 20 0 CBADMP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001423193082 908143040 /nfs/dbraw/zinc/14/30/40/908143040.db2.gz HLYVJQLQLYFAHE-NEPJUHHUSA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001423193082 908143045 /nfs/dbraw/zinc/14/30/45/908143045.db2.gz HLYVJQLQLYFAHE-NEPJUHHUSA-N 2 1 273.377 -0.960 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCF)CC[N@H+]1C ZINC001423212850 908157922 /nfs/dbraw/zinc/15/79/22/908157922.db2.gz MAMPYEHOYZGPBI-SDDRHHMPSA-N 2 1 275.368 -0.247 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1 ZINC001423287979 908190713 /nfs/dbraw/zinc/19/07/13/908190713.db2.gz GAZFLUUTEPTRGR-SNVBAGLBSA-N 2 1 270.377 -0.560 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC001423301828 908196097 /nfs/dbraw/zinc/19/60/97/908196097.db2.gz NQOVFHHJHZPVSA-AWEZNQCLSA-N 2 1 294.399 -0.012 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC001423301828 908196103 /nfs/dbraw/zinc/19/61/03/908196103.db2.gz NQOVFHHJHZPVSA-AWEZNQCLSA-N 2 1 294.399 -0.012 20 0 CBADMP COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001423434083 908236429 /nfs/dbraw/zinc/23/64/29/908236429.db2.gz DCCSEHLVDVLWEF-WCQYABFASA-N 2 1 285.388 -0.912 20 0 CBADMP COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001423434083 908236443 /nfs/dbraw/zinc/23/64/43/908236443.db2.gz DCCSEHLVDVLWEF-WCQYABFASA-N 2 1 285.388 -0.912 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001423473248 908247870 /nfs/dbraw/zinc/24/78/70/908247870.db2.gz UZOLHHTZCGOBAB-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001423471959 908248627 /nfs/dbraw/zinc/24/86/27/908248627.db2.gz UGHQXAPUTATWNN-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001423763337 908326128 /nfs/dbraw/zinc/32/61/28/908326128.db2.gz MOOOBFRVFASWJE-UKRRQHHQSA-N 2 1 281.400 -0.099 20 0 CBADMP CC(C)C[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001423907937 908367395 /nfs/dbraw/zinc/36/73/95/908367395.db2.gz PPZQJOHCKJNLDR-UHFFFAOYSA-N 2 1 281.400 -0.099 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(=O)NC)C1 ZINC001423943608 908371563 /nfs/dbraw/zinc/37/15/63/908371563.db2.gz CWZGXHYVXUOGGB-QWHCGFSZSA-N 2 1 298.431 -0.242 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001424019732 908388624 /nfs/dbraw/zinc/38/86/24/908388624.db2.gz JTLYJDGZKLSKAB-CQSZACIVSA-N 2 1 296.371 -0.873 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001424019732 908388637 /nfs/dbraw/zinc/38/86/37/908388637.db2.gz JTLYJDGZKLSKAB-CQSZACIVSA-N 2 1 296.371 -0.873 20 0 CBADMP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC001503000958 921406759 /nfs/dbraw/zinc/40/67/59/921406759.db2.gz GMJBKRZGPZJJAG-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CCO ZINC001503000958 921406766 /nfs/dbraw/zinc/40/67/66/921406766.db2.gz GMJBKRZGPZJJAG-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001424272322 908436154 /nfs/dbraw/zinc/43/61/54/908436154.db2.gz FQINSVNQEVQAPH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001424272322 908436161 /nfs/dbraw/zinc/43/61/61/908436161.db2.gz FQINSVNQEVQAPH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001424272322 908436168 /nfs/dbraw/zinc/43/61/68/908436168.db2.gz FQINSVNQEVQAPH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CCO ZINC001503577636 921409697 /nfs/dbraw/zinc/40/96/97/921409697.db2.gz RBNWQTCLVNANSQ-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CCO ZINC001503577637 921410274 /nfs/dbraw/zinc/41/02/74/921410274.db2.gz RBNWQTCLVNANSQ-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001424414641 908457064 /nfs/dbraw/zinc/45/70/64/908457064.db2.gz RTEIRTOMIKKZSD-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCN(CC(N)=O)[C@@H](C)C1 ZINC001424554577 908469934 /nfs/dbraw/zinc/46/99/34/908469934.db2.gz WHAUJRRRAKJACX-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H](C)C1 ZINC001424554577 908469940 /nfs/dbraw/zinc/46/99/40/908469940.db2.gz WHAUJRRRAKJACX-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H](C)C1 ZINC001424554577 908469951 /nfs/dbraw/zinc/46/99/51/908469951.db2.gz WHAUJRRRAKJACX-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC001424554577 908469955 /nfs/dbraw/zinc/46/99/55/908469955.db2.gz WHAUJRRRAKJACX-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001424546334 908470993 /nfs/dbraw/zinc/47/09/93/908470993.db2.gz JVZYKIBPKRSPPH-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001424650370 908481983 /nfs/dbraw/zinc/48/19/83/908481983.db2.gz WCSDZGKVNRNBDP-UHFFFAOYSA-N 2 1 296.371 -0.873 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001424702542 908489922 /nfs/dbraw/zinc/48/99/22/908489922.db2.gz JYWQLRUWQXPSPG-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001424702542 908489935 /nfs/dbraw/zinc/48/99/35/908489935.db2.gz JYWQLRUWQXPSPG-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC(C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001424753861 908496967 /nfs/dbraw/zinc/49/69/67/908496967.db2.gz QVXCROLPHWTBLD-HIFPTAJRSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001425020309 908552316 /nfs/dbraw/zinc/55/23/16/908552316.db2.gz BVZPGGUQLSVHHD-MNOVXSKESA-N 2 1 272.393 -0.491 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001425020309 908552330 /nfs/dbraw/zinc/55/23/30/908552330.db2.gz BVZPGGUQLSVHHD-MNOVXSKESA-N 2 1 272.393 -0.491 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)CC(=O)NC ZINC001425030769 908560963 /nfs/dbraw/zinc/56/09/63/908560963.db2.gz OBKPOCCKXSUWAF-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)CC(=O)NC ZINC001425030769 908560975 /nfs/dbraw/zinc/56/09/75/908560975.db2.gz OBKPOCCKXSUWAF-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC ZINC001425030769 908560983 /nfs/dbraw/zinc/56/09/83/908560983.db2.gz OBKPOCCKXSUWAF-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC ZINC001425030769 908560988 /nfs/dbraw/zinc/56/09/88/908560988.db2.gz OBKPOCCKXSUWAF-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CC(N)=O ZINC001425068065 908568754 /nfs/dbraw/zinc/56/87/54/908568754.db2.gz ZQDPIVMYEDEFNB-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC(N)=O ZINC001425068065 908568763 /nfs/dbraw/zinc/56/87/63/908568763.db2.gz ZQDPIVMYEDEFNB-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@H+](C)CC(N)=O ZINC001425068065 908568773 /nfs/dbraw/zinc/56/87/73/908568773.db2.gz ZQDPIVMYEDEFNB-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC(N)=O ZINC001425068065 908568792 /nfs/dbraw/zinc/56/87/92/908568792.db2.gz ZQDPIVMYEDEFNB-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001425412676 908640626 /nfs/dbraw/zinc/64/06/26/908640626.db2.gz AFHSNOFGPPGBIZ-JHJVBQTASA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001425573461 908677643 /nfs/dbraw/zinc/67/76/43/908677643.db2.gz HBIYWXFVCDQLTH-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CN(C)C(=O)CC[NH+]1CCOCC1)[NH2+]CCO ZINC001425648803 908687062 /nfs/dbraw/zinc/68/70/62/908687062.db2.gz GQMNIKQKJWVLIT-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC2CC2)C1 ZINC001425842542 908761513 /nfs/dbraw/zinc/76/15/13/908761513.db2.gz QIKUEQMIWWEDBH-OLZOCXBDSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC2CC2)C1 ZINC001425842542 908761522 /nfs/dbraw/zinc/76/15/22/908761522.db2.gz QIKUEQMIWWEDBH-OLZOCXBDSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H]1C ZINC001425881301 908772866 /nfs/dbraw/zinc/77/28/66/908772866.db2.gz JXMIZYFZWNSJBD-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]Cc2nncn2C)CN1C(=O)CC[NH+](C)C ZINC001425905283 908778527 /nfs/dbraw/zinc/77/85/27/908778527.db2.gz OFDAMCYSHSLYBA-VXGBXAGGSA-N 2 1 294.403 -0.154 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001425928091 908784410 /nfs/dbraw/zinc/78/44/10/908784410.db2.gz YNHWOYAWDDOOBH-ZYHUDNBSSA-N 2 1 293.371 -0.483 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001425953464 908786685 /nfs/dbraw/zinc/78/66/85/908786685.db2.gz CFWDKOASCBNHOB-VXGBXAGGSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccon1 ZINC001426058975 908810998 /nfs/dbraw/zinc/81/09/98/908810998.db2.gz WQRNUFVIJIQKBG-CYBMUJFWSA-N 2 1 298.387 -0.076 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccon1 ZINC001426058975 908811011 /nfs/dbraw/zinc/81/10/11/908811011.db2.gz WQRNUFVIJIQKBG-CYBMUJFWSA-N 2 1 298.387 -0.076 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001426059574 908812867 /nfs/dbraw/zinc/81/28/67/908812867.db2.gz PGZUTVSLCZQYAH-QWHCGFSZSA-N 2 1 287.404 -0.524 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001426059574 908812877 /nfs/dbraw/zinc/81/28/77/908812877.db2.gz PGZUTVSLCZQYAH-QWHCGFSZSA-N 2 1 287.404 -0.524 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001426059574 908812895 /nfs/dbraw/zinc/81/28/95/908812895.db2.gz PGZUTVSLCZQYAH-QWHCGFSZSA-N 2 1 287.404 -0.524 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001426059574 908812907 /nfs/dbraw/zinc/81/29/07/908812907.db2.gz PGZUTVSLCZQYAH-QWHCGFSZSA-N 2 1 287.404 -0.524 20 0 CBADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001426223387 908848708 /nfs/dbraw/zinc/84/87/08/908848708.db2.gz KVFIVULTMCJVJH-PNESKVBLSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001505760785 921478865 /nfs/dbraw/zinc/47/88/65/921478865.db2.gz OYYXZGQIYKXXAR-VXGBXAGGSA-N 2 1 286.420 -0.102 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)CC[NH+](C)C)C1 ZINC001429472470 909244421 /nfs/dbraw/zinc/24/44/21/909244421.db2.gz USWMPXATWWTJGG-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[C@@H](C(=O)N1CC(NC(=O)CC[N@@H+](C)CC)C1)[NH+](C)C ZINC001430299741 909323255 /nfs/dbraw/zinc/32/32/55/909323255.db2.gz JPEGGNDHEHEVJL-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CC(N)=O ZINC001505920445 921501682 /nfs/dbraw/zinc/50/16/82/921501682.db2.gz MUWDSLLZBFIWFO-PWSUYJOCSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@@H+](C)CC(N)=O ZINC001505920445 921501689 /nfs/dbraw/zinc/50/16/89/921501689.db2.gz MUWDSLLZBFIWFO-PWSUYJOCSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)[C@H]1CCNC1=O ZINC001505936248 921506622 /nfs/dbraw/zinc/50/66/22/921506622.db2.gz XRMSBMFVGPAVHY-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001433619040 909790657 /nfs/dbraw/zinc/79/06/57/909790657.db2.gz OGEJWZOIKFNUBK-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001433619035 909790712 /nfs/dbraw/zinc/79/07/12/909790712.db2.gz OGEJWZOIKFNUBK-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001433744694 909841256 /nfs/dbraw/zinc/84/12/56/909841256.db2.gz WNTOFTMXLPFBPP-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC([NH2+]C2CCOCC2)C1 ZINC001434367469 910131723 /nfs/dbraw/zinc/13/17/23/910131723.db2.gz YEFDNYSJVXEOAD-UHFFFAOYSA-N 2 1 297.399 -0.312 20 0 CBADMP C[N@@H+](CC(=O)N1CC([NH2+][C@H]2CCOC2)C1)[C@@H]1CCC[C@H]1O ZINC001434383526 910143655 /nfs/dbraw/zinc/14/36/55/910143655.db2.gz GICZDEALPMBOMA-IACUBPJLSA-N 2 1 297.399 -0.579 20 0 CBADMP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC[NH+](C)CC3)[C@H]2C1 ZINC001434435242 910181715 /nfs/dbraw/zinc/18/17/15/910181715.db2.gz VMVWRBCQTJOZPR-MELADBBJSA-N 2 1 280.416 -0.310 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC[NH+](C)CC3)[C@H]2C1 ZINC001434435242 910181735 /nfs/dbraw/zinc/18/17/35/910181735.db2.gz VMVWRBCQTJOZPR-MELADBBJSA-N 2 1 280.416 -0.310 20 0 CBADMP Cn1c[nH+]cc1CCCN1CCn2c(CO)nnc2C1 ZINC001434461435 910198082 /nfs/dbraw/zinc/19/80/82/910198082.db2.gz UCDOVPXGGHCRGN-UHFFFAOYSA-N 2 1 276.344 -0.048 20 0 CBADMP COC[C@@](C)(CC(=O)OC)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC001434461689 910199528 /nfs/dbraw/zinc/19/95/28/910199528.db2.gz LOJYQTYCNPNPGU-TZMCWYRMSA-N 2 1 288.388 -0.001 20 0 CBADMP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC001434461689 910199536 /nfs/dbraw/zinc/19/95/36/910199536.db2.gz LOJYQTYCNPNPGU-TZMCWYRMSA-N 2 1 288.388 -0.001 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C[C@H](O)C[NH+](C)C1CC1 ZINC001434475258 910218467 /nfs/dbraw/zinc/21/84/67/910218467.db2.gz GXBKFPVFOCBIIQ-UMVBOHGHSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C[C@H](O)C[N@H+](C)C1CC1 ZINC001434475258 910218484 /nfs/dbraw/zinc/21/84/84/910218484.db2.gz GXBKFPVFOCBIIQ-UMVBOHGHSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC001434475258 910218499 /nfs/dbraw/zinc/21/84/99/910218499.db2.gz GXBKFPVFOCBIIQ-UMVBOHGHSA-N 2 1 285.432 -0.172 20 0 CBADMP CCOC(=O)CN(C)C(=O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001434482113 910223329 /nfs/dbraw/zinc/22/33/29/910223329.db2.gz RBESPVHAGJEYEF-OLZOCXBDSA-N 2 1 297.399 -0.109 20 0 CBADMP CCOC(=O)CN(C)C(=O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001434482113 910223342 /nfs/dbraw/zinc/22/33/42/910223342.db2.gz RBESPVHAGJEYEF-OLZOCXBDSA-N 2 1 297.399 -0.109 20 0 CBADMP CCOC(=O)CN(C)C(=O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001434482113 910223355 /nfs/dbraw/zinc/22/33/55/910223355.db2.gz RBESPVHAGJEYEF-OLZOCXBDSA-N 2 1 297.399 -0.109 20 0 CBADMP CCOC(=O)CN(C)C(=O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001434482113 910223370 /nfs/dbraw/zinc/22/33/70/910223370.db2.gz RBESPVHAGJEYEF-OLZOCXBDSA-N 2 1 297.399 -0.109 20 0 CBADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](CCO)[C@H](CO)C1)C1CC1 ZINC001434497600 910239586 /nfs/dbraw/zinc/23/95/86/910239586.db2.gz LKDNCOXTFCNWEB-OBJOEFQTSA-N 2 1 272.389 -0.636 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](CCO)[C@H](CO)C1)C1CC1 ZINC001434497600 910239604 /nfs/dbraw/zinc/23/96/04/910239604.db2.gz LKDNCOXTFCNWEB-OBJOEFQTSA-N 2 1 272.389 -0.636 20 0 CBADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H](CCO)[C@H](CO)C1)C1CC1 ZINC001434497600 910239614 /nfs/dbraw/zinc/23/96/14/910239614.db2.gz LKDNCOXTFCNWEB-OBJOEFQTSA-N 2 1 272.389 -0.636 20 0 CBADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](CCO)[C@H](CO)C1)C1CC1 ZINC001434497600 910239630 /nfs/dbraw/zinc/23/96/30/910239630.db2.gz LKDNCOXTFCNWEB-OBJOEFQTSA-N 2 1 272.389 -0.636 20 0 CBADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[NH+](CCCO)CC1 ZINC001434859290 910391804 /nfs/dbraw/zinc/39/18/04/910391804.db2.gz GOXPAQCKHVGQKU-AWEZNQCLSA-N 2 1 281.400 -0.145 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001436394498 910437352 /nfs/dbraw/zinc/43/73/52/910437352.db2.gz ANOAVNSEKGWETH-XYPYZODXSA-N 2 1 270.377 -0.702 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001436878686 910496603 /nfs/dbraw/zinc/49/66/03/910496603.db2.gz XJVPACHRRLLBHT-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001436875840 910499274 /nfs/dbraw/zinc/49/92/74/910499274.db2.gz BXRUCPKRPVEOJS-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001436876527 910499786 /nfs/dbraw/zinc/49/97/86/910499786.db2.gz PLLXIDFRJZKVOV-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001436920171 910508207 /nfs/dbraw/zinc/50/82/07/910508207.db2.gz IHJMOCHVVNWFLM-HAQNSBGRSA-N 2 1 294.403 -0.106 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001436977839 910523014 /nfs/dbraw/zinc/52/30/14/910523014.db2.gz WPIMBTNTMKTERV-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001437120635 910551451 /nfs/dbraw/zinc/55/14/51/910551451.db2.gz FCSFOXFKYUTONQ-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccnn1C ZINC001437258406 910600135 /nfs/dbraw/zinc/60/01/35/910600135.db2.gz HHGCCHIVJQWGHF-NWDGAFQWSA-N 2 1 279.388 -0.034 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001437260135 910603713 /nfs/dbraw/zinc/60/37/13/910603713.db2.gz KZACXTCWOHYQJT-UWVGGRQHSA-N 2 1 281.360 -0.580 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001437316521 910612851 /nfs/dbraw/zinc/61/28/51/910612851.db2.gz QJEYESPQUCZGHW-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001437512987 910674245 /nfs/dbraw/zinc/67/42/45/910674245.db2.gz SPZYLFLJAZKGGH-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001437512987 910674251 /nfs/dbraw/zinc/67/42/51/910674251.db2.gz SPZYLFLJAZKGGH-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](CC)CC(=O)N(C)C)[NH+](C)C ZINC001437624744 910703282 /nfs/dbraw/zinc/70/32/82/910703282.db2.gz AYPMSVZVUJVJLJ-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](CC)CC(=O)N(C)C)[NH+](C)C ZINC001437624744 910703295 /nfs/dbraw/zinc/70/32/95/910703295.db2.gz AYPMSVZVUJVJLJ-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H](C)C(N)=O ZINC001437637708 910705213 /nfs/dbraw/zinc/70/52/13/910705213.db2.gz IIYDKCMCZUQZQY-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H](C)C(N)=O ZINC001437637708 910705227 /nfs/dbraw/zinc/70/52/27/910705227.db2.gz IIYDKCMCZUQZQY-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H](C)C(N)=O ZINC001437637708 910705239 /nfs/dbraw/zinc/70/52/39/910705239.db2.gz IIYDKCMCZUQZQY-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H](C)C(N)=O ZINC001437637708 910705252 /nfs/dbraw/zinc/70/52/52/910705252.db2.gz IIYDKCMCZUQZQY-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001437695871 910728098 /nfs/dbraw/zinc/72/80/98/910728098.db2.gz JGILMMXYKGLWFK-CYBMUJFWSA-N 2 1 296.415 -0.072 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001437695871 910728104 /nfs/dbraw/zinc/72/81/04/910728104.db2.gz JGILMMXYKGLWFK-CYBMUJFWSA-N 2 1 296.415 -0.072 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001506652478 921601167 /nfs/dbraw/zinc/60/11/67/921601167.db2.gz YMLIHNCLWMSYNZ-ZYHUDNBSSA-N 2 1 282.388 -0.737 20 0 CBADMP C[NH+]1CCC(OCC(=O)NC[C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001437725150 910737514 /nfs/dbraw/zinc/73/75/14/910737514.db2.gz OLLLAKCCRNCVFK-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001437828869 910755385 /nfs/dbraw/zinc/75/53/85/910755385.db2.gz OCXITXKQPQUBTI-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001437991398 910789282 /nfs/dbraw/zinc/78/92/82/910789282.db2.gz MCDSFUTYAIZWPU-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001438172988 910838285 /nfs/dbraw/zinc/83/82/85/910838285.db2.gz DGSYRABNYAIHDL-STQMWFEESA-N 2 1 292.387 -0.485 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001438172988 910838291 /nfs/dbraw/zinc/83/82/91/910838291.db2.gz DGSYRABNYAIHDL-STQMWFEESA-N 2 1 292.387 -0.485 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001438206429 910841550 /nfs/dbraw/zinc/84/15/50/910841550.db2.gz PUMNDZKOPGAEIM-JHJVBQTASA-N 2 1 298.431 -0.006 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001438206429 910841562 /nfs/dbraw/zinc/84/15/62/910841562.db2.gz PUMNDZKOPGAEIM-JHJVBQTASA-N 2 1 298.431 -0.006 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001438193881 910844600 /nfs/dbraw/zinc/84/46/00/910844600.db2.gz HQAGYZWVGMTOGM-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001438193881 910844606 /nfs/dbraw/zinc/84/46/06/910844606.db2.gz HQAGYZWVGMTOGM-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001438193881 910844618 /nfs/dbraw/zinc/84/46/18/910844618.db2.gz HQAGYZWVGMTOGM-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001438193881 910844635 /nfs/dbraw/zinc/84/46/35/910844635.db2.gz HQAGYZWVGMTOGM-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001438184768 910845813 /nfs/dbraw/zinc/84/58/13/910845813.db2.gz VNDMTRYKEDKMFA-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001438184768 910845826 /nfs/dbraw/zinc/84/58/26/910845826.db2.gz VNDMTRYKEDKMFA-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001438184768 910845838 /nfs/dbraw/zinc/84/58/38/910845838.db2.gz VNDMTRYKEDKMFA-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001438184768 910845850 /nfs/dbraw/zinc/84/58/50/910845850.db2.gz VNDMTRYKEDKMFA-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@](C[NH2+]CC(N)=O)(NC(=O)CCc1cnc[nH]1)C1CC1 ZINC001438422438 910891252 /nfs/dbraw/zinc/89/12/52/910891252.db2.gz SFISQHGEXVWOBR-CQSZACIVSA-N 2 1 293.371 -0.298 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001438527503 910911474 /nfs/dbraw/zinc/91/14/74/910911474.db2.gz GHMLPCYEZHELQI-NWDGAFQWSA-N 2 1 284.404 -0.584 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nnnn1C ZINC001438549561 910917029 /nfs/dbraw/zinc/91/70/29/910917029.db2.gz RMWXANZQEXKPQI-WDEREUQCSA-N 2 1 295.391 -0.996 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCO)CCCC2)C1 ZINC001438588168 910927502 /nfs/dbraw/zinc/92/75/02/910927502.db2.gz KXRNYRDQPXIIBY-LBPRGKRZSA-N 2 1 285.388 -0.672 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCO)CCCC2)C1 ZINC001438588168 910927523 /nfs/dbraw/zinc/92/75/23/910927523.db2.gz KXRNYRDQPXIIBY-LBPRGKRZSA-N 2 1 285.388 -0.672 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CC1 ZINC001506801393 921618800 /nfs/dbraw/zinc/61/88/00/921618800.db2.gz DITMBEZAGAYFBO-XYYAHUGASA-N 2 1 281.400 -0.386 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)CC[NH+](C)C ZINC001438672225 910951455 /nfs/dbraw/zinc/95/14/55/910951455.db2.gz IQCTXWNPZAVDEM-LLVKDONJSA-N 2 1 282.392 -0.297 20 0 CBADMP 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 921621112 /nfs/dbraw/zinc/62/11/12/921621112.db2.gz XWHGTLBOXAMZSF-YFKTTZPYSA-N 2 1 282.388 -0.894 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001438843086 910976572 /nfs/dbraw/zinc/97/65/72/910976572.db2.gz SSERMMUPHUYBIF-QWHCGFSZSA-N 2 1 298.431 -0.243 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001438843080 910977728 /nfs/dbraw/zinc/97/77/28/910977728.db2.gz SSERMMUPHUYBIF-OLZOCXBDSA-N 2 1 298.431 -0.243 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)[C@H]1CCN(C)C1=O ZINC001438927999 910995142 /nfs/dbraw/zinc/99/51/42/910995142.db2.gz YUONWGSRZIUFED-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)[C@H]1CCN(C)C1=O ZINC001438927999 910995162 /nfs/dbraw/zinc/99/51/62/910995162.db2.gz YUONWGSRZIUFED-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001438927999 910995185 /nfs/dbraw/zinc/99/51/85/910995185.db2.gz YUONWGSRZIUFED-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001438927999 910995202 /nfs/dbraw/zinc/99/52/02/910995202.db2.gz YUONWGSRZIUFED-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(CC[N@H+](C)CCCO)C(=O)CC[NH+]1CCOCC1 ZINC001438921926 910997558 /nfs/dbraw/zinc/99/75/58/910997558.db2.gz OOMZHPOCZKLPDB-UHFFFAOYSA-N 2 1 287.404 -0.519 20 0 CBADMP CN(CC[N@@H+](C)CCCO)C(=O)CC[NH+]1CCOCC1 ZINC001438921926 910997574 /nfs/dbraw/zinc/99/75/74/910997574.db2.gz OOMZHPOCZKLPDB-UHFFFAOYSA-N 2 1 287.404 -0.519 20 0 CBADMP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)no1 ZINC001439048061 911071885 /nfs/dbraw/zinc/07/18/85/911071885.db2.gz TWORQZTZUOODAF-WCQYABFASA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)no1 ZINC001439048061 911071902 /nfs/dbraw/zinc/07/19/02/911071902.db2.gz TWORQZTZUOODAF-WCQYABFASA-N 2 1 296.371 -0.499 20 0 CBADMP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439083917 911095330 /nfs/dbraw/zinc/09/53/30/911095330.db2.gz MDXAVIVUWANGJZ-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)C[N@H+](C)C1CCC1 ZINC001439120052 911109407 /nfs/dbraw/zinc/10/94/07/911109407.db2.gz OKEOXYNTGZDMAO-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001439120052 911109419 /nfs/dbraw/zinc/10/94/19/911109419.db2.gz OKEOXYNTGZDMAO-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001439138007 911115963 /nfs/dbraw/zinc/11/59/63/911115963.db2.gz GCOHLDSWADGTCG-OUAUKWLOSA-N 2 1 295.391 -0.540 20 0 CBADMP C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001439138007 911115974 /nfs/dbraw/zinc/11/59/74/911115974.db2.gz GCOHLDSWADGTCG-OUAUKWLOSA-N 2 1 295.391 -0.540 20 0 CBADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001439159245 911120340 /nfs/dbraw/zinc/12/03/40/911120340.db2.gz PSAKELIGSRZWLP-NEPJUHHUSA-N 2 1 284.404 -0.171 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001439151334 911120366 /nfs/dbraw/zinc/12/03/66/911120366.db2.gz CXGSEKAWQRPBID-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439268027 911161884 /nfs/dbraw/zinc/16/18/84/911161884.db2.gz FXFNCEAKCNMDGR-QWRGUYRKSA-N 2 1 270.377 -0.832 20 0 CBADMP Cc1nonc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439282388 911163866 /nfs/dbraw/zinc/16/38/66/911163866.db2.gz LBCKUTAOQBPFGX-ONGXEEELSA-N 2 1 281.360 -0.076 20 0 CBADMP Cc1nonc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439282388 911163885 /nfs/dbraw/zinc/16/38/85/911163885.db2.gz LBCKUTAOQBPFGX-ONGXEEELSA-N 2 1 281.360 -0.076 20 0 CBADMP C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001439358608 911185959 /nfs/dbraw/zinc/18/59/59/911185959.db2.gz ALJJXYDPMDVAAY-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001439358608 911185966 /nfs/dbraw/zinc/18/59/66/911185966.db2.gz ALJJXYDPMDVAAY-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@H](C[N@H+](C)[C@H](C)C(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001439364374 911193232 /nfs/dbraw/zinc/19/32/32/911193232.db2.gz NDSYMOYHKGEYGM-VXGBXAGGSA-N 2 1 286.420 -0.149 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H](C)C(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001439364374 911193239 /nfs/dbraw/zinc/19/32/39/911193239.db2.gz NDSYMOYHKGEYGM-VXGBXAGGSA-N 2 1 286.420 -0.149 20 0 CBADMP C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001439358625 911194493 /nfs/dbraw/zinc/19/44/93/911194493.db2.gz ALJJXYDPMDVAAY-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001439358625 911194506 /nfs/dbraw/zinc/19/45/06/911194506.db2.gz ALJJXYDPMDVAAY-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](CC(N)=O)CC1 ZINC001439807800 911295014 /nfs/dbraw/zinc/29/50/14/911295014.db2.gz YLPCQDHBVJHGNT-UHFFFAOYSA-N 2 1 282.388 -0.462 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001439905163 911309643 /nfs/dbraw/zinc/30/96/43/911309643.db2.gz WWGKDYLJCWZMGU-RISCZKNCSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001439953839 911316139 /nfs/dbraw/zinc/31/61/39/911316139.db2.gz KPDVGQDEYJMROO-ZDUSSCGKSA-N 2 1 299.415 -0.282 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001439952486 911318353 /nfs/dbraw/zinc/31/83/53/911318353.db2.gz CZKFQVNSAOJKEG-UHFFFAOYSA-N 2 1 296.371 -0.561 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001507003331 921652151 /nfs/dbraw/zinc/65/21/51/921652151.db2.gz UBFAQYIKDFIONV-NWDGAFQWSA-N 2 1 282.388 -0.608 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001439992560 911335464 /nfs/dbraw/zinc/33/54/64/911335464.db2.gz SZUJTVWMGVQZKI-OAHLLOKOSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001439992560 911335482 /nfs/dbraw/zinc/33/54/82/911335482.db2.gz SZUJTVWMGVQZKI-OAHLLOKOSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001439992560 911335503 /nfs/dbraw/zinc/33/55/03/911335503.db2.gz SZUJTVWMGVQZKI-OAHLLOKOSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001440010359 911340513 /nfs/dbraw/zinc/34/05/13/911340513.db2.gz MOLLSXVRZZBMJI-DOMZBBRYSA-N 2 1 299.415 -0.738 20 0 CBADMP CCC[NH+]1CC(O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001440090362 911377958 /nfs/dbraw/zinc/37/79/58/911377958.db2.gz SECNUSYKXFYXAI-UHFFFAOYSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001440315551 911428537 /nfs/dbraw/zinc/42/85/37/911428537.db2.gz FDIIRQDUWSZPSR-UPJWGTAASA-N 2 1 298.431 -0.053 20 0 CBADMP CN(CCC[N@@H+](C)CC(N)=O)C(=O)C[NH+](C)C1CCC1 ZINC001440434641 911453153 /nfs/dbraw/zinc/45/31/53/911453153.db2.gz RNLUPCHZYXDAOB-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP CN(CCC[NH+](C)CC(N)=O)C(=O)C[N@H+](C)C1CCC1 ZINC001440434641 911453161 /nfs/dbraw/zinc/45/31/61/911453161.db2.gz RNLUPCHZYXDAOB-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP CN(CCC[NH+](C)CC(N)=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001440434641 911453168 /nfs/dbraw/zinc/45/31/68/911453168.db2.gz RNLUPCHZYXDAOB-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CCO)CC2)C1 ZINC001440613029 911477962 /nfs/dbraw/zinc/47/79/62/911477962.db2.gz JOBVBVKFUKYCRH-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CCO)CC2)C1 ZINC001440613029 911477971 /nfs/dbraw/zinc/47/79/71/911477971.db2.gz JOBVBVKFUKYCRH-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001440994438 911574999 /nfs/dbraw/zinc/57/49/99/911574999.db2.gz IFXWDXFFGDSEIW-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001440994438 911575014 /nfs/dbraw/zinc/57/50/14/911575014.db2.gz IFXWDXFFGDSEIW-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001441252032 911629226 /nfs/dbraw/zinc/62/92/26/911629226.db2.gz KEAFDDZKQYZXAV-RYUDHWBXSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001441252032 911629237 /nfs/dbraw/zinc/62/92/37/911629237.db2.gz KEAFDDZKQYZXAV-RYUDHWBXSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001441252025 911630425 /nfs/dbraw/zinc/63/04/25/911630425.db2.gz KEAFDDZKQYZXAV-NWDGAFQWSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001441252025 911630436 /nfs/dbraw/zinc/63/04/36/911630436.db2.gz KEAFDDZKQYZXAV-NWDGAFQWSA-N 2 1 298.431 -0.101 20 0 CBADMP CN(C)C(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001441248384 911630476 /nfs/dbraw/zinc/63/04/76/911630476.db2.gz AURWNADTJBHWLN-STQMWFEESA-N 2 1 296.415 -0.489 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001441274914 911636955 /nfs/dbraw/zinc/63/69/55/911636955.db2.gz CRNPTRFLVRIAPQ-RVMXOQNASA-N 2 1 294.399 -0.879 20 0 CBADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001441362924 911651805 /nfs/dbraw/zinc/65/18/05/911651805.db2.gz ASAIKMVOWYWEMC-YFKTTZPYSA-N 2 1 282.388 -0.704 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001441400854 911662841 /nfs/dbraw/zinc/66/28/41/911662841.db2.gz SZTSKTRCXFVJMW-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001441487620 911680923 /nfs/dbraw/zinc/68/09/23/911680923.db2.gz NAQYBJDFHRRVOW-MXWKQRLJSA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001441487619 911682218 /nfs/dbraw/zinc/68/22/18/911682218.db2.gz NAQYBJDFHRRVOW-GARJFASQSA-N 2 1 282.388 -0.419 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001441563823 911706618 /nfs/dbraw/zinc/70/66/18/911706618.db2.gz GTGGUNJNVJTNLL-LBPRGKRZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001441563823 911706634 /nfs/dbraw/zinc/70/66/34/911706634.db2.gz GTGGUNJNVJTNLL-LBPRGKRZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cnn(C)n1 ZINC001441837783 911831412 /nfs/dbraw/zinc/83/14/12/911831412.db2.gz FEEPQAIREXLLJF-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001441928140 911855417 /nfs/dbraw/zinc/85/54/17/911855417.db2.gz LNYIEASZCHQAHZ-PWSUYJOCSA-N 2 1 284.360 -0.707 20 0 CBADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ncnn1C ZINC001441948962 911865050 /nfs/dbraw/zinc/86/50/50/911865050.db2.gz VCVYYBSEEJXUMJ-LLVKDONJSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001442052745 911908265 /nfs/dbraw/zinc/90/82/65/911908265.db2.gz PQEPVCNMFKQCIF-WCQYABFASA-N 2 1 279.388 -0.034 20 0 CBADMP CC(C)CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442051475 911910689 /nfs/dbraw/zinc/91/06/89/911910689.db2.gz NQGCHDYTTWCPAU-QWHCGFSZSA-N 2 1 298.431 -0.195 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001442091017 911930661 /nfs/dbraw/zinc/93/06/61/911930661.db2.gz KSNNZBDGIYERSU-LBPRGKRZSA-N 2 1 293.371 -0.530 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001442194427 911946262 /nfs/dbraw/zinc/94/62/62/911946262.db2.gz CODZZRDFFAJQNE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001442194427 911946275 /nfs/dbraw/zinc/94/62/75/911946275.db2.gz CODZZRDFFAJQNE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001442194427 911946297 /nfs/dbraw/zinc/94/62/97/911946297.db2.gz CODZZRDFFAJQNE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001442194427 911946315 /nfs/dbraw/zinc/94/63/15/911946315.db2.gz CODZZRDFFAJQNE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001442289042 911965300 /nfs/dbraw/zinc/96/53/00/911965300.db2.gz WUHMMZIIDKOKPU-SNVBAGLBSA-N 2 1 281.360 -0.578 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001442335813 911974925 /nfs/dbraw/zinc/97/49/25/911974925.db2.gz DUPYTGDCDPBSNA-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001442383790 911995927 /nfs/dbraw/zinc/99/59/27/911995927.db2.gz WMGKFCRJAUHMGA-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001442383790 911995958 /nfs/dbraw/zinc/99/59/58/911995958.db2.gz WMGKFCRJAUHMGA-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001442383790 911995975 /nfs/dbraw/zinc/99/59/75/911995975.db2.gz WMGKFCRJAUHMGA-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001442383790 911995995 /nfs/dbraw/zinc/99/59/95/911995995.db2.gz WMGKFCRJAUHMGA-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+](CCNC(=O)C1CC1)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001442610223 912060961 /nfs/dbraw/zinc/06/09/61/912060961.db2.gz MLCWAIWXTGFBOB-ZDUSSCGKSA-N 2 1 296.415 -0.488 20 0 CBADMP C[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@H]1CCCNC1=O ZINC001442616131 912061862 /nfs/dbraw/zinc/06/18/62/912061862.db2.gz ZJBMDEGZIRGMGM-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)[C@H]1CCCNC1=O ZINC001442616131 912061873 /nfs/dbraw/zinc/06/18/73/912061873.db2.gz ZJBMDEGZIRGMGM-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H](C)C(=O)NC ZINC001442640864 912068862 /nfs/dbraw/zinc/06/88/62/912068862.db2.gz QVXIRYSEVQLCHO-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H](C)C(=O)NC ZINC001442640864 912068873 /nfs/dbraw/zinc/06/88/73/912068873.db2.gz QVXIRYSEVQLCHO-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C)C(=O)NC ZINC001442640864 912068884 /nfs/dbraw/zinc/06/88/84/912068884.db2.gz QVXIRYSEVQLCHO-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@H](C)C(=O)NC ZINC001442640864 912068895 /nfs/dbraw/zinc/06/88/95/912068895.db2.gz QVXIRYSEVQLCHO-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CCOC ZINC001442645887 912074854 /nfs/dbraw/zinc/07/48/54/912074854.db2.gz LHJDVBCMHACYGB-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CCOC ZINC001442645887 912074870 /nfs/dbraw/zinc/07/48/70/912074870.db2.gz LHJDVBCMHACYGB-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)CCOC ZINC001442645887 912074886 /nfs/dbraw/zinc/07/48/86/912074886.db2.gz LHJDVBCMHACYGB-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CCOC ZINC001442645887 912074899 /nfs/dbraw/zinc/07/48/99/912074899.db2.gz LHJDVBCMHACYGB-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)CC(=O)NC ZINC001442669594 912081048 /nfs/dbraw/zinc/08/10/48/912081048.db2.gz ADVKKOGSGJEANC-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)CC(=O)NC ZINC001442669594 912081067 /nfs/dbraw/zinc/08/10/67/912081067.db2.gz ADVKKOGSGJEANC-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+](C)C1CCC1)CC(=O)NC ZINC001442669594 912081092 /nfs/dbraw/zinc/08/10/92/912081092.db2.gz ADVKKOGSGJEANC-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)CC(=O)NC ZINC001442669594 912081106 /nfs/dbraw/zinc/08/11/06/912081106.db2.gz ADVKKOGSGJEANC-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001443073879 912149062 /nfs/dbraw/zinc/14/90/62/912149062.db2.gz AWYLFWZOFNCOHP-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001443107878 912155746 /nfs/dbraw/zinc/15/57/46/912155746.db2.gz ZIMNCNABPGZJQE-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001470572973 915508222 /nfs/dbraw/zinc/50/82/22/915508222.db2.gz WYMRKQPCGSOVPR-GFCCVEGCSA-N 2 1 275.368 -0.197 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001470572973 915508237 /nfs/dbraw/zinc/50/82/37/915508237.db2.gz WYMRKQPCGSOVPR-GFCCVEGCSA-N 2 1 275.368 -0.197 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001470572973 915508249 /nfs/dbraw/zinc/50/82/49/915508249.db2.gz WYMRKQPCGSOVPR-GFCCVEGCSA-N 2 1 275.368 -0.197 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]CC2CC2)C1 ZINC001507251351 921784765 /nfs/dbraw/zinc/78/47/65/921784765.db2.gz CLSAJVOTCGBFRH-CHWSQXEVSA-N 2 1 269.389 -0.195 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001472084035 915691726 /nfs/dbraw/zinc/69/17/26/915691726.db2.gz XZGVEUQBRKAQTQ-ZYHUDNBSSA-N 2 1 253.346 -0.330 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)N2CC([NH2+]C3COC3)C2)C1 ZINC001472157166 915701414 /nfs/dbraw/zinc/70/14/14/915701414.db2.gz KANYTNQHBWXKRM-SNVBAGLBSA-N 2 1 253.346 -0.473 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC([NH2+]C3COC3)C2)C1 ZINC001472157166 915701433 /nfs/dbraw/zinc/70/14/33/915701433.db2.gz KANYTNQHBWXKRM-SNVBAGLBSA-N 2 1 253.346 -0.473 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@H]2C[NH+]3CCC2CC3)C1 ZINC001472231386 915710977 /nfs/dbraw/zinc/71/09/77/915710977.db2.gz ABYMRKMZDBKABE-AWEZNQCLSA-N 2 1 294.443 -0.062 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001507264684 921791221 /nfs/dbraw/zinc/79/12/21/921791221.db2.gz KXCFRPGTRFSIJN-NWDGAFQWSA-N 2 1 275.368 -0.103 20 0 CBADMP Nc1nc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)nc(N)[nH+]1 ZINC001472895999 915782269 /nfs/dbraw/zinc/78/22/69/915782269.db2.gz PXEIRFNXNNICGM-DTWKUNHWSA-N 2 1 279.348 -0.929 20 0 CBADMP CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001507265638 921797947 /nfs/dbraw/zinc/79/79/47/921797947.db2.gz SKQBIJLOABERMH-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001507265638 921797960 /nfs/dbraw/zinc/79/79/60/921797960.db2.gz SKQBIJLOABERMH-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP CCn1nnc(C)c1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001473985254 915880663 /nfs/dbraw/zinc/88/06/63/915880663.db2.gz LTCPZKBMCZJQOO-UHFFFAOYSA-N 2 1 294.403 -0.140 20 0 CBADMP CC[C@H](CNS(C)(=O)=O)[NH2+]C1CC[NH+](C)CC1 ZINC001474532473 915896361 /nfs/dbraw/zinc/89/63/61/915896361.db2.gz WBFPHLHZQXMBGO-SNVBAGLBSA-N 2 1 263.407 -0.002 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1 ZINC001479674839 916152219 /nfs/dbraw/zinc/15/22/19/916152219.db2.gz TZEPRBTZXGFVSR-OLZOCXBDSA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001479674839 916152225 /nfs/dbraw/zinc/15/22/25/916152225.db2.gz TZEPRBTZXGFVSR-OLZOCXBDSA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001479674839 916152232 /nfs/dbraw/zinc/15/22/32/916152232.db2.gz TZEPRBTZXGFVSR-OLZOCXBDSA-N 2 1 296.415 -0.408 20 0 CBADMP CCN1CC[C@H]([N@@H+](C)CCCNC(=O)CC[NH+](C)C)C1=O ZINC001479793657 916181428 /nfs/dbraw/zinc/18/14/28/916181428.db2.gz MBYZBAPWEVJNIJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCn1cncn1 ZINC001479812957 916183575 /nfs/dbraw/zinc/18/35/75/916183575.db2.gz URVMTALVIDPOBC-CYBMUJFWSA-N 2 1 294.403 -0.332 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)CCn1cncn1 ZINC001479812957 916183584 /nfs/dbraw/zinc/18/35/84/916183584.db2.gz URVMTALVIDPOBC-CYBMUJFWSA-N 2 1 294.403 -0.332 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCn1cncn1 ZINC001479812957 916183592 /nfs/dbraw/zinc/18/35/92/916183592.db2.gz URVMTALVIDPOBC-CYBMUJFWSA-N 2 1 294.403 -0.332 20 0 CBADMP COCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001479949126 916239548 /nfs/dbraw/zinc/23/95/48/916239548.db2.gz GIAGOETYMSCZTH-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP COCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001479949126 916239566 /nfs/dbraw/zinc/23/95/66/916239566.db2.gz GIAGOETYMSCZTH-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP COCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001479949126 916239579 /nfs/dbraw/zinc/23/95/79/916239579.db2.gz GIAGOETYMSCZTH-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP COCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001479949126 916239595 /nfs/dbraw/zinc/23/95/95/916239595.db2.gz GIAGOETYMSCZTH-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001480047351 916272653 /nfs/dbraw/zinc/27/26/53/916272653.db2.gz RBRNOOBIQTZBFL-WCQYABFASA-N 2 1 269.389 -0.195 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CCCO)C1 ZINC001480122744 916297993 /nfs/dbraw/zinc/29/79/93/916297993.db2.gz UOHFGHAPCLGZMG-LBPRGKRZSA-N 2 1 266.345 -0.236 20 0 CBADMP CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480130522 916302633 /nfs/dbraw/zinc/30/26/33/916302633.db2.gz AFKHKPPKVCBNPZ-AVGNSLFASA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)OC ZINC001480198011 916326452 /nfs/dbraw/zinc/32/64/52/916326452.db2.gz FAHRPPBWGMMLEN-RQJABVFESA-N 2 1 299.415 -0.021 20 0 CBADMP CC[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)OC ZINC001480198011 916326471 /nfs/dbraw/zinc/32/64/71/916326471.db2.gz FAHRPPBWGMMLEN-RQJABVFESA-N 2 1 299.415 -0.021 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480231908 916339691 /nfs/dbraw/zinc/33/96/91/916339691.db2.gz HVOAEFLORZBVFS-XQHKEYJVSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cnn(C)c1 ZINC001480438200 916405551 /nfs/dbraw/zinc/40/55/51/916405551.db2.gz IMOSBFAUKRWKQI-WCQYABFASA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cnn(C)c1 ZINC001480438200 916405561 /nfs/dbraw/zinc/40/55/61/916405561.db2.gz IMOSBFAUKRWKQI-WCQYABFASA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnn(C)n1 ZINC001480530765 916461808 /nfs/dbraw/zinc/46/18/08/916461808.db2.gz NKMNYTGNBGPGRY-JTQLQIEISA-N 2 1 268.365 -0.639 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cnnn1C ZINC001480538377 916466177 /nfs/dbraw/zinc/46/61/77/916466177.db2.gz XRYQAYHJOCPWBI-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001480554051 916468474 /nfs/dbraw/zinc/46/84/74/916468474.db2.gz HRAOXUUZFNGZPL-QWRGUYRKSA-N 2 1 295.387 -0.060 20 0 CBADMP C[C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)[NH2+]CCO ZINC001480563718 916474668 /nfs/dbraw/zinc/47/46/68/916474668.db2.gz IAFZIEQQLZMYOG-LLVKDONJSA-N 2 1 289.339 -0.033 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001480566936 916480012 /nfs/dbraw/zinc/48/00/12/916480012.db2.gz XNMLNROQTSCUHP-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480590821 916488521 /nfs/dbraw/zinc/48/85/21/916488521.db2.gz VNCDLSBHRXHIPJ-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001480622161 916500988 /nfs/dbraw/zinc/50/09/88/916500988.db2.gz XGBBXHBTIBFWKK-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]([NH2+]CCCO)C1 ZINC001480621737 916501655 /nfs/dbraw/zinc/50/16/55/916501655.db2.gz NOYOQCKGHBKYMD-ZDUSSCGKSA-N 2 1 285.388 -0.718 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480639424 916506588 /nfs/dbraw/zinc/50/65/88/916506588.db2.gz ZNEYEKBJMBHVAV-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC[C@@H]1CCCO1 ZINC001480851786 916575024 /nfs/dbraw/zinc/57/50/24/916575024.db2.gz GZPBVBHQJSJYMR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC[C@@H]1CCCO1 ZINC001480851786 916575037 /nfs/dbraw/zinc/57/50/37/916575037.db2.gz GZPBVBHQJSJYMR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)CC[C@@H]1CCCO1 ZINC001480851786 916575050 /nfs/dbraw/zinc/57/50/50/916575050.db2.gz GZPBVBHQJSJYMR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC[C@@H]1CCCO1 ZINC001480851786 916575069 /nfs/dbraw/zinc/57/50/69/916575069.db2.gz GZPBVBHQJSJYMR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480866088 916592960 /nfs/dbraw/zinc/59/29/60/916592960.db2.gz VNVBHIPAEMMCPX-GFCCVEGCSA-N 2 1 255.362 -0.632 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480873952 916593796 /nfs/dbraw/zinc/59/37/96/916593796.db2.gz WHDTWJOFFQJBIB-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480873952 916593805 /nfs/dbraw/zinc/59/38/05/916593805.db2.gz WHDTWJOFFQJBIB-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480934605 916643337 /nfs/dbraw/zinc/64/33/37/916643337.db2.gz BPHBYGNAKGTYRG-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480934605 916643348 /nfs/dbraw/zinc/64/33/48/916643348.db2.gz BPHBYGNAKGTYRG-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480934605 916643358 /nfs/dbraw/zinc/64/33/58/916643358.db2.gz BPHBYGNAKGTYRG-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480934605 916643366 /nfs/dbraw/zinc/64/33/66/916643366.db2.gz BPHBYGNAKGTYRG-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480946850 916652419 /nfs/dbraw/zinc/65/24/19/916652419.db2.gz WZMHZWWYNYHHLO-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480946850 916652424 /nfs/dbraw/zinc/65/24/24/916652424.db2.gz WZMHZWWYNYHHLO-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480946850 916652432 /nfs/dbraw/zinc/65/24/32/916652432.db2.gz WZMHZWWYNYHHLO-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480946850 916652439 /nfs/dbraw/zinc/65/24/39/916652439.db2.gz WZMHZWWYNYHHLO-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCNC1=O ZINC001480983361 916672737 /nfs/dbraw/zinc/67/27/37/916672737.db2.gz YOJONNXZJVHYCB-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC001480983361 916672749 /nfs/dbraw/zinc/67/27/49/916672749.db2.gz YOJONNXZJVHYCB-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CCNC1=O ZINC001480983361 916672762 /nfs/dbraw/zinc/67/27/62/916672762.db2.gz YOJONNXZJVHYCB-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCNC1=O ZINC001480983362 916676656 /nfs/dbraw/zinc/67/66/56/916676656.db2.gz YOJONNXZJVHYCB-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CCNC1=O ZINC001480983362 916676663 /nfs/dbraw/zinc/67/66/63/916676663.db2.gz YOJONNXZJVHYCB-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CCNC1=O ZINC001480983362 916676678 /nfs/dbraw/zinc/67/66/78/916676678.db2.gz YOJONNXZJVHYCB-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CCNC1=O ZINC001481000326 916682132 /nfs/dbraw/zinc/68/21/32/916682132.db2.gz VMDPWCPXYMIQPN-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[C@H]1CCNC1=O ZINC001481000326 916682142 /nfs/dbraw/zinc/68/21/42/916682142.db2.gz VMDPWCPXYMIQPN-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[C@H]1CCNC1=O ZINC001481000326 916682146 /nfs/dbraw/zinc/68/21/46/916682146.db2.gz VMDPWCPXYMIQPN-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](CC)[C@@H]1CCNC1=O ZINC001481012899 916688137 /nfs/dbraw/zinc/68/81/37/916688137.db2.gz DTAQWYIWEOEWRN-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@H+](CC)[C@@H]1CCNC1=O ZINC001481012899 916688141 /nfs/dbraw/zinc/68/81/41/916688141.db2.gz DTAQWYIWEOEWRN-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](CC)[C@@H]1CCNC1=O ZINC001481012899 916688148 /nfs/dbraw/zinc/68/81/48/916688148.db2.gz DTAQWYIWEOEWRN-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001481127409 916730253 /nfs/dbraw/zinc/73/02/53/916730253.db2.gz VDRLKZMQWATGBS-RYUDHWBXSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001481127409 916730270 /nfs/dbraw/zinc/73/02/70/916730270.db2.gz VDRLKZMQWATGBS-RYUDHWBXSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001481127409 916730278 /nfs/dbraw/zinc/73/02/78/916730278.db2.gz VDRLKZMQWATGBS-RYUDHWBXSA-N 2 1 284.404 -0.362 20 0 CBADMP CCC[N@H+](CCO)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001481153686 916734515 /nfs/dbraw/zinc/73/45/15/916734515.db2.gz CLESLTVTVRGOCF-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[N@@H+](CCO)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001481153686 916734526 /nfs/dbraw/zinc/73/45/26/916734526.db2.gz CLESLTVTVRGOCF-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[NH+](CCO)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001481153686 916734536 /nfs/dbraw/zinc/73/45/36/916734536.db2.gz CLESLTVTVRGOCF-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[NH+](CCO)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001481153686 916734545 /nfs/dbraw/zinc/73/45/45/916734545.db2.gz CLESLTVTVRGOCF-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP COC[C@@H](O)C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001481162169 916740419 /nfs/dbraw/zinc/74/04/19/916740419.db2.gz GBXLZFPAXNNBGK-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001481162169 916740429 /nfs/dbraw/zinc/74/04/29/916740429.db2.gz GBXLZFPAXNNBGK-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001481162169 916740439 /nfs/dbraw/zinc/74/04/39/916740439.db2.gz GBXLZFPAXNNBGK-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001481247012 916785319 /nfs/dbraw/zinc/78/53/19/916785319.db2.gz FJVFJVRDUOWLEU-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001481247010 916785726 /nfs/dbraw/zinc/78/57/26/916785726.db2.gz FJVFJVRDUOWLEU-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CN(CC[NH2+]CCO)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001481242701 916786327 /nfs/dbraw/zinc/78/63/27/916786327.db2.gz SVOSNMUDYASSLE-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP COC[C@H](O)C[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001481279733 916804432 /nfs/dbraw/zinc/80/44/32/916804432.db2.gz KGASXUAAZXESPP-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP CCCNC(=O)C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001481315388 916814870 /nfs/dbraw/zinc/81/48/70/916814870.db2.gz YLDZPGSNAJULBV-UHFFFAOYSA-N 2 1 295.387 -0.234 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+][C@H]1CCCNC1=O ZINC001481314767 916816721 /nfs/dbraw/zinc/81/67/21/916816721.db2.gz LACQGNZYKGCTIX-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP C[N@@H+](CCO)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481478715 916843941 /nfs/dbraw/zinc/84/39/41/916843941.db2.gz AOGSXSROFCDLAK-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001481478715 916843947 /nfs/dbraw/zinc/84/39/47/916843947.db2.gz AOGSXSROFCDLAK-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001481478715 916843949 /nfs/dbraw/zinc/84/39/49/916843949.db2.gz AOGSXSROFCDLAK-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP CCC[N@H+](C)CCC(=O)NCC1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC001481655636 916930711 /nfs/dbraw/zinc/93/07/11/916930711.db2.gz BPECWKDEQCHWOI-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC001481655636 916930721 /nfs/dbraw/zinc/93/07/21/916930721.db2.gz BPECWKDEQCHWOI-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001481689989 916950474 /nfs/dbraw/zinc/95/04/74/916950474.db2.gz VTEPMBCDJSVHHE-AVGNSLFASA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001481689989 916950483 /nfs/dbraw/zinc/95/04/83/916950483.db2.gz VTEPMBCDJSVHHE-AVGNSLFASA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001481689990 916951214 /nfs/dbraw/zinc/95/12/14/916951214.db2.gz VTEPMBCDJSVHHE-XQQFMLRXSA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001481689990 916951221 /nfs/dbraw/zinc/95/12/21/916951221.db2.gz VTEPMBCDJSVHHE-XQQFMLRXSA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCO)C1)[NH+](C)C ZINC001481692666 916953729 /nfs/dbraw/zinc/95/37/29/916953729.db2.gz GRUBELSWEORJEF-NWDGAFQWSA-N 2 1 257.378 -0.245 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001481752064 916974822 /nfs/dbraw/zinc/97/48/22/916974822.db2.gz VCLYXGLHRJUQJF-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001481752062 916977454 /nfs/dbraw/zinc/97/74/54/916977454.db2.gz VCLYXGLHRJUQJF-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001481812527 916994617 /nfs/dbraw/zinc/99/46/17/916994617.db2.gz OCYXNBSBHKHRIC-JHJVBQTASA-N 2 1 298.431 -0.053 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001481849790 917002658 /nfs/dbraw/zinc/00/26/58/917002658.db2.gz FYSQFBKLDGORBQ-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC ZINC001481870500 917009963 /nfs/dbraw/zinc/00/99/63/917009963.db2.gz MYRLJZPCIDDRQM-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC ZINC001481870499 917011831 /nfs/dbraw/zinc/01/18/31/917011831.db2.gz MYRLJZPCIDDRQM-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481873587 917012155 /nfs/dbraw/zinc/01/21/55/917012155.db2.gz BFHQWJSQCYIVSS-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001482057701 917031716 /nfs/dbraw/zinc/03/17/16/917031716.db2.gz QLRRRMHMMHMWOW-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1nncn1C ZINC001482085323 917045894 /nfs/dbraw/zinc/04/58/94/917045894.db2.gz OITXANRZFMVYFS-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)N(C)C ZINC001482159706 917070163 /nfs/dbraw/zinc/07/01/63/917070163.db2.gz RCBSYDVDZRSZOW-CHWSQXEVSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ncnn1C ZINC001482168324 917070789 /nfs/dbraw/zinc/07/07/89/917070789.db2.gz MSAIRJKYOKBSIX-RYUDHWBXSA-N 2 1 294.403 -0.391 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ncnn1C ZINC001482168323 917072498 /nfs/dbraw/zinc/07/24/98/917072498.db2.gz MSAIRJKYOKBSIX-NWDGAFQWSA-N 2 1 294.403 -0.391 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)NC ZINC001482173285 917075524 /nfs/dbraw/zinc/07/55/24/917075524.db2.gz IYCAPWHTIAIXBM-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CO[C@@H](C)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482200139 917083158 /nfs/dbraw/zinc/08/31/58/917083158.db2.gz VIBOQCMWZVQZJP-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@@H](C)C[N@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482200139 917083162 /nfs/dbraw/zinc/08/31/62/917083162.db2.gz VIBOQCMWZVQZJP-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@H](C)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482200135 917086313 /nfs/dbraw/zinc/08/63/13/917086313.db2.gz VIBOQCMWZVQZJP-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@H](C)C[N@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482200135 917086325 /nfs/dbraw/zinc/08/63/25/917086325.db2.gz VIBOQCMWZVQZJP-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482200639 917093355 /nfs/dbraw/zinc/09/33/55/917093355.db2.gz ZEEVOPLMBQZTTK-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482200639 917093366 /nfs/dbraw/zinc/09/33/66/917093366.db2.gz ZEEVOPLMBQZTTK-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001482295684 917118256 /nfs/dbraw/zinc/11/82/56/917118256.db2.gz DTNMQBLJVOVYTE-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCOCC2)C1 ZINC001482791460 917288705 /nfs/dbraw/zinc/28/87/05/917288705.db2.gz SHUVZOUHWNHZCD-KBPBESRZSA-N 2 1 299.415 -0.569 20 0 CBADMP Cc1conc1C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001482798049 917291181 /nfs/dbraw/zinc/29/11/81/917291181.db2.gz DYGVMTPTFJXQAZ-LBPRGKRZSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1conc1C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001482798049 917291185 /nfs/dbraw/zinc/29/11/85/917291185.db2.gz DYGVMTPTFJXQAZ-LBPRGKRZSA-N 2 1 298.387 -0.110 20 0 CBADMP C[C@H](CC[NH2+]CC(N)=O)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001482841195 917310599 /nfs/dbraw/zinc/31/05/99/917310599.db2.gz CRHDDICJTMRQIK-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@H](CC[NH2+]CCO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482887691 917326661 /nfs/dbraw/zinc/32/66/61/917326661.db2.gz DYOXAVLLZMXPQG-NEPJUHHUSA-N 2 1 257.378 -0.195 20 0 CBADMP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@@H]1CCC[N@H+]1C ZINC001482914622 917333863 /nfs/dbraw/zinc/33/38/63/917333863.db2.gz RLQZPDNNTPRUNF-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482925161 917339146 /nfs/dbraw/zinc/33/91/46/917339146.db2.gz LZLHFQRNLAFDHA-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CCN(CC[NH2+]Cc1nncn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482966955 917350390 /nfs/dbraw/zinc/35/03/90/917350390.db2.gz JKJUNCKFCUUHNI-LBPRGKRZSA-N 2 1 294.403 -0.295 20 0 CBADMP CCN(CC[NH2+]Cc1nncn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482966955 917350410 /nfs/dbraw/zinc/35/04/10/917350410.db2.gz JKJUNCKFCUUHNI-LBPRGKRZSA-N 2 1 294.403 -0.295 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCO ZINC001482990703 917360257 /nfs/dbraw/zinc/36/02/57/917360257.db2.gz GQYWSHZKWKTVDK-DLGQBQFBSA-N 2 1 255.362 -0.275 20 0 CBADMP COCC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482992132 917362733 /nfs/dbraw/zinc/36/27/33/917362733.db2.gz GEBWVKDARIVLPK-VSQXVHSFSA-N 2 1 271.361 -0.775 20 0 CBADMP COCC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482992132 917362740 /nfs/dbraw/zinc/36/27/40/917362740.db2.gz GEBWVKDARIVLPK-VSQXVHSFSA-N 2 1 271.361 -0.775 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+][C@@H]2CCNC2=O)CC[N@H+]1C ZINC001483008204 917372130 /nfs/dbraw/zinc/37/21/30/917372130.db2.gz HUEHQWBGDZRGNW-ZUEAMBOYSA-N 2 1 294.399 -0.523 20 0 CBADMP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001483009129 917372577 /nfs/dbraw/zinc/37/25/77/917372577.db2.gz RGUSMPYCAPEIMX-VWLQNONNSA-N 2 1 282.388 -0.538 20 0 CBADMP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483082725 917404036 /nfs/dbraw/zinc/40/40/36/917404036.db2.gz VQOMZEPWNFWMDM-MUBLQREKSA-N 2 1 296.415 -0.322 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC/C=C\C[NH2+][C@H]1CCN(C)C1=O ZINC001483097184 917408059 /nfs/dbraw/zinc/40/80/59/917408059.db2.gz ITHXRNPCJBVIGF-SZZPACECSA-N 2 1 296.415 -0.181 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC ZINC001483099327 917408280 /nfs/dbraw/zinc/40/82/80/917408280.db2.gz XLTMHGDLHQXDIS-CFHLNLSMSA-N 2 1 296.415 -0.131 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+]CCOC)C1 ZINC001483094966 917409637 /nfs/dbraw/zinc/40/96/37/917409637.db2.gz IJTUJGDWRFDAPD-IHVVCDCBSA-N 2 1 285.388 -0.385 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+]CCOC)C1 ZINC001483094966 917409643 /nfs/dbraw/zinc/40/96/43/917409643.db2.gz IJTUJGDWRFDAPD-IHVVCDCBSA-N 2 1 285.388 -0.385 20 0 CBADMP C[C@H](C[NH2+]CC1CCOCC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483118564 917416433 /nfs/dbraw/zinc/41/64/33/917416433.db2.gz YDMZZIBAOKATMN-OCCSQVGLSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@H](C[NH2+]CC1CCOCC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483118564 917416449 /nfs/dbraw/zinc/41/64/49/917416449.db2.gz YDMZZIBAOKATMN-OCCSQVGLSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001483135845 917430820 /nfs/dbraw/zinc/43/08/20/917430820.db2.gz UESSBNXBDYNNAD-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001483166129 917447330 /nfs/dbraw/zinc/44/73/30/917447330.db2.gz AGCXQFORHQNIIU-JHJVBQTASA-N 2 1 287.404 -0.570 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]CCCO ZINC001483194841 917462691 /nfs/dbraw/zinc/46/26/91/917462691.db2.gz OJMPUGWDAQXTMO-SNVBAGLBSA-N 2 1 254.334 -0.332 20 0 CBADMP C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483217293 917472137 /nfs/dbraw/zinc/47/21/37/917472137.db2.gz PNKQCVOQEFTQMI-CMPLNLGQSA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483217293 917472144 /nfs/dbraw/zinc/47/21/44/917472144.db2.gz PNKQCVOQEFTQMI-CMPLNLGQSA-N 2 1 255.362 -0.179 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001483286035 917506051 /nfs/dbraw/zinc/50/60/51/917506051.db2.gz JDFGPRGWLMAWAX-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483283525 917506594 /nfs/dbraw/zinc/50/65/94/917506594.db2.gz SBRIRLTTZIMWMP-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483283525 917506614 /nfs/dbraw/zinc/50/66/14/917506614.db2.gz SBRIRLTTZIMWMP-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483340337 917540158 /nfs/dbraw/zinc/54/01/58/917540158.db2.gz ZRJAPJBQJIWXGC-YPMHNXCESA-N 2 1 269.389 -0.243 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCCO)C2CC2)C1 ZINC001483604900 917601525 /nfs/dbraw/zinc/60/15/25/917601525.db2.gz AGFKMWHADLMXEW-QWHCGFSZSA-N 2 1 269.389 -0.195 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001483790370 917680404 /nfs/dbraw/zinc/68/04/04/917680404.db2.gz GQKICHRFGAWVJF-MNOVXSKESA-N 2 1 255.362 -0.443 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001483790371 917681004 /nfs/dbraw/zinc/68/10/04/917681004.db2.gz GQKICHRFGAWVJF-QWRGUYRKSA-N 2 1 255.362 -0.443 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001483847256 917684306 /nfs/dbraw/zinc/68/43/06/917684306.db2.gz GVEGRSWRQLXDMW-CQSZACIVSA-N 2 1 282.388 -0.652 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001483945493 917713259 /nfs/dbraw/zinc/71/32/59/917713259.db2.gz ZCOMOKKIYVUKHC-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001483959573 917717524 /nfs/dbraw/zinc/71/75/24/917717524.db2.gz YIZRFECQSCGKPE-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCOCCO)C2)C1 ZINC001484072492 917729610 /nfs/dbraw/zinc/72/96/10/917729610.db2.gz VOQVBYJUVAIYIQ-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCOCCO)C2)C1 ZINC001484072492 917729618 /nfs/dbraw/zinc/72/96/18/917729618.db2.gz VOQVBYJUVAIYIQ-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCOCCO)C2)C1 ZINC001484072492 917729625 /nfs/dbraw/zinc/72/96/25/917729625.db2.gz VOQVBYJUVAIYIQ-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001484065778 917729756 /nfs/dbraw/zinc/72/97/56/917729756.db2.gz ZJQZFWQALNOSTN-DOMZBBRYSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001484065778 917729767 /nfs/dbraw/zinc/72/97/67/917729767.db2.gz ZJQZFWQALNOSTN-DOMZBBRYSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001484065778 917729777 /nfs/dbraw/zinc/72/97/77/917729777.db2.gz ZJQZFWQALNOSTN-DOMZBBRYSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001484065778 917729788 /nfs/dbraw/zinc/72/97/88/917729788.db2.gz ZJQZFWQALNOSTN-DOMZBBRYSA-N 2 1 296.415 -0.203 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@H+](CCO)C1 ZINC001484052197 917733347 /nfs/dbraw/zinc/73/33/47/917733347.db2.gz GOIIHKFHBXEIRC-CYBMUJFWSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001484052197 917733357 /nfs/dbraw/zinc/73/33/57/917733357.db2.gz GOIIHKFHBXEIRC-CYBMUJFWSA-N 2 1 266.345 -0.236 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CCO)C2)C1 ZINC001484124625 917745340 /nfs/dbraw/zinc/74/53/40/917745340.db2.gz IVLCESOCQOCQGS-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CCO)C2)C1 ZINC001484124625 917745347 /nfs/dbraw/zinc/74/53/47/917745347.db2.gz IVLCESOCQOCQGS-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001484235517 917780106 /nfs/dbraw/zinc/78/01/06/917780106.db2.gz JSGCGLLHLHHLLU-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001484235517 917780116 /nfs/dbraw/zinc/78/01/16/917780116.db2.gz JSGCGLLHLHHLLU-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001484235517 917780121 /nfs/dbraw/zinc/78/01/21/917780121.db2.gz JSGCGLLHLHHLLU-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484246399 917788739 /nfs/dbraw/zinc/78/87/39/917788739.db2.gz JVEWMNVUCRFVCE-HNNXBMFYSA-N 2 1 297.399 -0.718 20 0 CBADMP CC(C)[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484252630 917790316 /nfs/dbraw/zinc/79/03/16/917790316.db2.gz VZWGYNABIOSQLZ-OCCSQVGLSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484252630 917790325 /nfs/dbraw/zinc/79/03/25/917790325.db2.gz VZWGYNABIOSQLZ-OCCSQVGLSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484252630 917790332 /nfs/dbraw/zinc/79/03/32/917790332.db2.gz VZWGYNABIOSQLZ-OCCSQVGLSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CC)C1)[NH+](C)C ZINC001484248084 917792438 /nfs/dbraw/zinc/79/24/38/917792438.db2.gz ZNSDAURTEIOIOF-DGCLKSJQSA-N 2 1 257.378 -0.101 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001484372071 917835869 /nfs/dbraw/zinc/83/58/69/917835869.db2.gz QSINHMOGYRVBHZ-CMPLNLGQSA-N 2 1 293.371 -0.639 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@]1(CO)CCC[NH+](CCO)C1 ZINC001484446782 917854684 /nfs/dbraw/zinc/85/46/84/917854684.db2.gz DBALPAKUFBXABC-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001484446782 917854694 /nfs/dbraw/zinc/85/46/94/917854694.db2.gz DBALPAKUFBXABC-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001484446782 917854701 /nfs/dbraw/zinc/85/47/01/917854701.db2.gz DBALPAKUFBXABC-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCO)C2)C1 ZINC001484514531 917882895 /nfs/dbraw/zinc/88/28/95/917882895.db2.gz LLAZOOMDALYBAI-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCO)C2)C1 ZINC001484514531 917882918 /nfs/dbraw/zinc/88/29/18/917882918.db2.gz LLAZOOMDALYBAI-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001484693536 917926324 /nfs/dbraw/zinc/92/63/24/917926324.db2.gz VKKIGGRLAMGWHU-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001485015536 917980648 /nfs/dbraw/zinc/98/06/48/917980648.db2.gz ITRYIBLMJIOZBO-OLZOCXBDSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001485076942 917992835 /nfs/dbraw/zinc/99/28/35/917992835.db2.gz PXRFINPYOPDKMH-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001485076942 917992843 /nfs/dbraw/zinc/99/28/43/917992843.db2.gz PXRFINPYOPDKMH-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001485159692 918015617 /nfs/dbraw/zinc/01/56/17/918015617.db2.gz ZBVJFBZNXWNRAN-MNOVXSKESA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)[C@@H](C)[NH2+]CCO ZINC001485166359 918018404 /nfs/dbraw/zinc/01/84/04/918018404.db2.gz BEVHHKZHBWCPBS-NXEZZACHSA-N 2 1 284.360 -0.175 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001485373128 918100534 /nfs/dbraw/zinc/10/05/34/918100534.db2.gz KQWNGRUZJNUYSO-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP CCCC[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485471132 918121477 /nfs/dbraw/zinc/12/14/77/918121477.db2.gz CZGSUEWIELLTHY-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCCCC1 ZINC001485447791 918122437 /nfs/dbraw/zinc/12/24/37/918122437.db2.gz FCMOWDYSOZCTKL-LBPRGKRZSA-N 2 1 296.415 -0.025 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCF)C2)C1 ZINC001485678163 918167655 /nfs/dbraw/zinc/16/76/55/918167655.db2.gz AFQVVQNGAJNTIF-SRVKXCTJSA-N 2 1 273.352 -0.229 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCF)C2)C1 ZINC001485678163 918167664 /nfs/dbraw/zinc/16/76/64/918167664.db2.gz AFQVVQNGAJNTIF-SRVKXCTJSA-N 2 1 273.352 -0.229 20 0 CBADMP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001485745029 918180278 /nfs/dbraw/zinc/18/02/78/918180278.db2.gz PNBOQUBXOCZMES-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCOCCNC(=O)[C@H]1CCC[NH+]1C ZINC001485774179 918188433 /nfs/dbraw/zinc/18/84/33/918188433.db2.gz HCNDQMNMANCUER-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](O)C[NH+](C)CCOCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001485774179 918188445 /nfs/dbraw/zinc/18/84/45/918188445.db2.gz HCNDQMNMANCUER-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](O)C[NH+](C)CCOCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001485774179 918188454 /nfs/dbraw/zinc/18/84/54/918188454.db2.gz HCNDQMNMANCUER-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001485854817 918206956 /nfs/dbraw/zinc/20/69/56/918206956.db2.gz HKTFSHUEFPNVIS-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001485854815 918208803 /nfs/dbraw/zinc/20/88/03/918208803.db2.gz HKTFSHUEFPNVIS-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001485856877 918214440 /nfs/dbraw/zinc/21/44/40/918214440.db2.gz VSRANQIOPIEELR-OLZOCXBDSA-N 2 1 294.403 -0.191 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001485947074 918239834 /nfs/dbraw/zinc/23/98/34/918239834.db2.gz LRTZCDMBLQQEKR-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnon1 ZINC001485955742 918240261 /nfs/dbraw/zinc/24/02/61/918240261.db2.gz QDVRKJSJJRTXFZ-WDEREUQCSA-N 2 1 281.360 -0.042 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnon1 ZINC001485955742 918240271 /nfs/dbraw/zinc/24/02/71/918240271.db2.gz QDVRKJSJJRTXFZ-WDEREUQCSA-N 2 1 281.360 -0.042 20 0 CBADMP CC(C)OCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001485983712 918276350 /nfs/dbraw/zinc/27/63/50/918276350.db2.gz VJFSLFONHKYLGU-OLZOCXBDSA-N 2 1 287.404 -0.428 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001486405456 918453367 /nfs/dbraw/zinc/45/33/67/918453367.db2.gz NUHDNNRJCQEOSP-NSHDSACASA-N 2 1 295.387 -0.203 20 0 CBADMP CC[C@H](C(=O)NCC1=CC[N@@H+]([C@H](C)C(N)=O)CC1)[NH+](C)C ZINC001486518726 918478476 /nfs/dbraw/zinc/47/84/76/918478476.db2.gz GMBAKECHBJOGFR-DGCLKSJQSA-N 2 1 296.415 -0.051 20 0 CBADMP CC[C@H](C(=O)NCC1=CC[N@H+]([C@H](C)C(N)=O)CC1)[NH+](C)C ZINC001486518726 918478485 /nfs/dbraw/zinc/47/84/85/918478485.db2.gz GMBAKECHBJOGFR-DGCLKSJQSA-N 2 1 296.415 -0.051 20 0 CBADMP CN(C[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001488652696 918750697 /nfs/dbraw/zinc/75/06/97/918750697.db2.gz GTECKNIWQXSZTA-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001488652696 918750714 /nfs/dbraw/zinc/75/07/14/918750714.db2.gz GTECKNIWQXSZTA-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001488803200 918768167 /nfs/dbraw/zinc/76/81/67/918768167.db2.gz DBBLJZPRCPTCLX-SDDRHHMPSA-N 2 1 284.404 -0.315 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001488960292 918782995 /nfs/dbraw/zinc/78/29/95/918782995.db2.gz HNZFNDPEWLYZQA-RWMBFGLXSA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(N)=O ZINC001489287983 918807638 /nfs/dbraw/zinc/80/76/38/918807638.db2.gz YIJFKYBOTDAEBZ-ZJUUUORDSA-N 2 1 256.350 -0.998 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(N)=O ZINC001489287983 918807648 /nfs/dbraw/zinc/80/76/48/918807648.db2.gz YIJFKYBOTDAEBZ-ZJUUUORDSA-N 2 1 256.350 -0.998 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCNC1=O ZINC001490214280 918871714 /nfs/dbraw/zinc/87/17/14/918871714.db2.gz QWSPSRNVZOBPSH-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CCNC1=O ZINC001490214280 918871729 /nfs/dbraw/zinc/87/17/29/918871729.db2.gz QWSPSRNVZOBPSH-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CCNC1=O ZINC001490214280 918871745 /nfs/dbraw/zinc/87/17/45/918871745.db2.gz QWSPSRNVZOBPSH-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001490243712 918876727 /nfs/dbraw/zinc/87/67/27/918876727.db2.gz HZEFPHQJLFJNLB-VXGBXAGGSA-N 2 1 286.420 -0.116 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCCN1CC[NH+](CCO)CC1 ZINC001490467086 918908757 /nfs/dbraw/zinc/90/87/57/918908757.db2.gz VVLYIJLAZIKLED-CQSZACIVSA-N 2 1 298.431 -0.803 20 0 CBADMP CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001490558236 918938354 /nfs/dbraw/zinc/93/83/54/918938354.db2.gz CYJIASYYASYEOV-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001490558236 918938364 /nfs/dbraw/zinc/93/83/64/918938364.db2.gz CYJIASYYASYEOV-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CCCO)C2CC2)C1 ZINC001490648761 918950574 /nfs/dbraw/zinc/95/05/74/918950574.db2.gz MDOFBDWGFCTFJE-STQMWFEESA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CCCO)C2CC2)C1 ZINC001490648761 918950584 /nfs/dbraw/zinc/95/05/84/918950584.db2.gz MDOFBDWGFCTFJE-STQMWFEESA-N 2 1 285.388 -0.816 20 0 CBADMP COCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001490880235 918984526 /nfs/dbraw/zinc/98/45/26/918984526.db2.gz FGAXBMNEDMDDNG-SRVKXCTJSA-N 2 1 271.361 -0.800 20 0 CBADMP COCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001490880235 918984541 /nfs/dbraw/zinc/98/45/41/918984541.db2.gz FGAXBMNEDMDDNG-SRVKXCTJSA-N 2 1 271.361 -0.800 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001491110561 919040675 /nfs/dbraw/zinc/04/06/75/919040675.db2.gz IDWYTHXZDLCCCI-JSGCOSHPSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nnnn1C ZINC001491457933 919170590 /nfs/dbraw/zinc/17/05/90/919170590.db2.gz VVOMNDIYJRKYKW-HBNTYKKESA-N 2 1 295.391 -0.855 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1nnnn1C ZINC001491457933 919170608 /nfs/dbraw/zinc/17/06/08/919170608.db2.gz VVOMNDIYJRKYKW-HBNTYKKESA-N 2 1 295.391 -0.855 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001491456601 919171546 /nfs/dbraw/zinc/17/15/46/919171546.db2.gz IDNKMRAPKAQFTE-IJLUTSLNSA-N 2 1 284.404 -0.443 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001492128458 919327807 /nfs/dbraw/zinc/32/78/07/919327807.db2.gz UNAIBTULTCKZKB-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CN1CCO[C@H](C(=O)NCC[N@H+](C)Cc2ccccn2)C1 ZINC001492220184 919363145 /nfs/dbraw/zinc/36/31/45/919363145.db2.gz FIYKZJYOMJKDKV-AWEZNQCLSA-N 2 1 292.383 -0.040 20 0 CBADMP CN1CCO[C@H](C(=O)NCC[N@@H+](C)Cc2ccccn2)C1 ZINC001492220184 919363163 /nfs/dbraw/zinc/36/31/63/919363163.db2.gz FIYKZJYOMJKDKV-AWEZNQCLSA-N 2 1 292.383 -0.040 20 0 CBADMP CN1CCO[C@@H](C(=O)NCC[N@@H+](C)C[C@H]2CCCOC2)C1 ZINC001492220159 919363386 /nfs/dbraw/zinc/36/33/86/919363386.db2.gz DNMQWMAYDZGJGN-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@H]1CCCOC1 ZINC001492220159 919363395 /nfs/dbraw/zinc/36/33/95/919363395.db2.gz DNMQWMAYDZGJGN-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@H]1CCCOC1 ZINC001492220159 919363412 /nfs/dbraw/zinc/36/34/12/919363412.db2.gz DNMQWMAYDZGJGN-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C[C@H]1CCCOC1 ZINC001492220159 919363430 /nfs/dbraw/zinc/36/34/30/919363430.db2.gz DNMQWMAYDZGJGN-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C[C@H]1CCCOC1 ZINC001492220159 919363448 /nfs/dbraw/zinc/36/34/48/919363448.db2.gz DNMQWMAYDZGJGN-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCN1CCCC1=O ZINC001492854904 919439538 /nfs/dbraw/zinc/43/95/38/919439538.db2.gz YCFYZTXDGUISRT-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCN1CCCC1=O ZINC001492854904 919439551 /nfs/dbraw/zinc/43/95/51/919439551.db2.gz YCFYZTXDGUISRT-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCN1CCCC1=O ZINC001492854904 919439567 /nfs/dbraw/zinc/43/95/67/919439567.db2.gz YCFYZTXDGUISRT-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(=O)NC ZINC001493010351 919467598 /nfs/dbraw/zinc/46/75/98/919467598.db2.gz STSCRIYUZJUZDO-UHFFFAOYSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(=O)NC ZINC001493010351 919467608 /nfs/dbraw/zinc/46/76/08/919467608.db2.gz STSCRIYUZJUZDO-UHFFFAOYSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@@H](C)C(N)=O ZINC001493023400 919469566 /nfs/dbraw/zinc/46/95/66/919469566.db2.gz WBWYYWCFECQVAI-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@@H](C)C(N)=O ZINC001493023400 919469569 /nfs/dbraw/zinc/46/95/69/919469569.db2.gz WBWYYWCFECQVAI-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H](C)C(N)=O ZINC001493023400 919469574 /nfs/dbraw/zinc/46/95/74/919469574.db2.gz WBWYYWCFECQVAI-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H](C)C(N)=O ZINC001493023400 919469576 /nfs/dbraw/zinc/46/95/76/919469576.db2.gz WBWYYWCFECQVAI-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)N(C)C ZINC001493058697 919475508 /nfs/dbraw/zinc/47/55/08/919475508.db2.gz PFDMNNYETGIMIM-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)N(C)C ZINC001493058697 919475514 /nfs/dbraw/zinc/47/55/14/919475514.db2.gz PFDMNNYETGIMIM-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)N(C)C ZINC001493058697 919475522 /nfs/dbraw/zinc/47/55/22/919475522.db2.gz PFDMNNYETGIMIM-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)N(C)C ZINC001493058697 919475528 /nfs/dbraw/zinc/47/55/28/919475528.db2.gz PFDMNNYETGIMIM-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)N(C)C ZINC001493058696 919475670 /nfs/dbraw/zinc/47/56/70/919475670.db2.gz PFDMNNYETGIMIM-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)N(C)C ZINC001493058696 919475677 /nfs/dbraw/zinc/47/56/77/919475677.db2.gz PFDMNNYETGIMIM-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)N(C)C ZINC001493058696 919475683 /nfs/dbraw/zinc/47/56/83/919475683.db2.gz PFDMNNYETGIMIM-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)N(C)C ZINC001493058696 919475687 /nfs/dbraw/zinc/47/56/87/919475687.db2.gz PFDMNNYETGIMIM-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001493111911 919480819 /nfs/dbraw/zinc/48/08/19/919480819.db2.gz UMZZSBFVBKXJMY-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001493111911 919480826 /nfs/dbraw/zinc/48/08/26/919480826.db2.gz UMZZSBFVBKXJMY-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001493111911 919480832 /nfs/dbraw/zinc/48/08/32/919480832.db2.gz UMZZSBFVBKXJMY-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001493111911 919480841 /nfs/dbraw/zinc/48/08/41/919480841.db2.gz UMZZSBFVBKXJMY-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001493132981 919484224 /nfs/dbraw/zinc/48/42/24/919484224.db2.gz OZHZJQAHSYQXDW-SNVBAGLBSA-N 2 1 256.350 -0.996 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001493132981 919484231 /nfs/dbraw/zinc/48/42/31/919484231.db2.gz OZHZJQAHSYQXDW-SNVBAGLBSA-N 2 1 256.350 -0.996 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001493252664 919508601 /nfs/dbraw/zinc/50/86/01/919508601.db2.gz OJEYWPWFUHSHKO-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001493258711 919516233 /nfs/dbraw/zinc/51/62/33/919516233.db2.gz GQDOSUKJRMGTQJ-CHWSQXEVSA-N 2 1 294.399 -0.591 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001493406293 919539970 /nfs/dbraw/zinc/53/99/70/919539970.db2.gz BPZFBVGIRIEBAT-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001493406293 919539980 /nfs/dbraw/zinc/53/99/80/919539980.db2.gz BPZFBVGIRIEBAT-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001493500158 919560503 /nfs/dbraw/zinc/56/05/03/919560503.db2.gz MKEGVQSYRIGVPH-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001493501978 919566773 /nfs/dbraw/zinc/56/67/73/919566773.db2.gz ZVUXOSFMUYTXBY-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001493550700 919577544 /nfs/dbraw/zinc/57/75/44/919577544.db2.gz IMKUIRKVYCEISJ-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001493725834 919611682 /nfs/dbraw/zinc/61/16/82/919611682.db2.gz NSKCITFRCUMIJB-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP CCn1ncc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001493794211 919625334 /nfs/dbraw/zinc/62/53/34/919625334.db2.gz UDQNSBYYRJCSMA-GFCCVEGCSA-N 2 1 294.403 -0.202 20 0 CBADMP CCn1ncc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001493794211 919625346 /nfs/dbraw/zinc/62/53/46/919625346.db2.gz UDQNSBYYRJCSMA-GFCCVEGCSA-N 2 1 294.403 -0.202 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@@H](C)COC)C1 ZINC001493800976 919626442 /nfs/dbraw/zinc/62/64/42/919626442.db2.gz OTZYLAXBULWZRU-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@@H](C)COC)C1 ZINC001493800976 919626453 /nfs/dbraw/zinc/62/64/53/919626453.db2.gz OTZYLAXBULWZRU-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP C[N@@H+](CCO)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001494170951 919667699 /nfs/dbraw/zinc/66/76/99/919667699.db2.gz GEXGBJNJNGXGIL-CYBMUJFWSA-N 2 1 281.400 -0.145 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494761609 919788676 /nfs/dbraw/zinc/78/86/76/919788676.db2.gz RHKAEJCIQCCKGT-XQQFMLRXSA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494761609 919788682 /nfs/dbraw/zinc/78/86/82/919788682.db2.gz RHKAEJCIQCCKGT-XQQFMLRXSA-N 2 1 298.431 -0.102 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001494786185 919790636 /nfs/dbraw/zinc/79/06/36/919790636.db2.gz CRRABRXKHWRGJU-CYBMUJFWSA-N 2 1 297.399 -0.718 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001494776231 919793355 /nfs/dbraw/zinc/79/33/55/919793355.db2.gz NJJUQDHDBVWMQT-MNOVXSKESA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001494776231 919793359 /nfs/dbraw/zinc/79/33/59/919793359.db2.gz NJJUQDHDBVWMQT-MNOVXSKESA-N 2 1 268.361 -0.983 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001494842553 919801691 /nfs/dbraw/zinc/80/16/91/919801691.db2.gz RCDGWJMBDVBNIM-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001494842553 919801700 /nfs/dbraw/zinc/80/17/00/919801700.db2.gz RCDGWJMBDVBNIM-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCCO ZINC001495037783 919848800 /nfs/dbraw/zinc/84/88/00/919848800.db2.gz KRQGUPJZJDWHSS-NWDGAFQWSA-N 2 1 257.378 -0.053 20 0 CBADMP CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001495095928 919861011 /nfs/dbraw/zinc/86/10/11/919861011.db2.gz ZMQRFFKBSQYADH-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001496055425 920019236 /nfs/dbraw/zinc/01/92/36/920019236.db2.gz LRGQXZGJZNCQDF-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001496143687 920032030 /nfs/dbraw/zinc/03/20/30/920032030.db2.gz DZIBDYXICGCWHW-SRVKXCTJSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001496599586 920093658 /nfs/dbraw/zinc/09/36/58/920093658.db2.gz RTMMPKCKYKYXRL-AVGNSLFASA-N 2 1 298.431 -0.068 20 0 CBADMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]CC(N)=O ZINC001496643958 920101153 /nfs/dbraw/zinc/10/11/53/920101153.db2.gz WWLHSTLUXGUABQ-LLVKDONJSA-N 2 1 272.393 -0.458 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001496816073 920140477 /nfs/dbraw/zinc/14/04/77/920140477.db2.gz BZSYNOGDNUAXIC-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001496816073 920140491 /nfs/dbraw/zinc/14/04/91/920140491.db2.gz BZSYNOGDNUAXIC-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496816073 920140501 /nfs/dbraw/zinc/14/05/01/920140501.db2.gz BZSYNOGDNUAXIC-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001496816073 920140510 /nfs/dbraw/zinc/14/05/10/920140510.db2.gz BZSYNOGDNUAXIC-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001497034222 920218796 /nfs/dbraw/zinc/21/87/96/920218796.db2.gz OXZDPMIRBSDKHY-NWDGAFQWSA-N 2 1 257.378 -0.197 20 0 CBADMP C[NH+](C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCO)c1ccccc1 ZINC001497120511 920257929 /nfs/dbraw/zinc/25/79/29/920257929.db2.gz ZGKOFIIBKDQVPW-UONOGXRCSA-N 2 1 295.383 -0.652 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CC[NH2+][C@@H](C)C(N)=O ZINC001497231790 920273072 /nfs/dbraw/zinc/27/30/72/920273072.db2.gz XDDKTSSMQCJGRY-KOLCDFICSA-N 2 1 281.360 -0.450 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]CC(N)=O ZINC001497334512 920285575 /nfs/dbraw/zinc/28/55/75/920285575.db2.gz YEOJWXGLAWHOJN-SNVBAGLBSA-N 2 1 258.366 -0.704 20 0 CBADMP CC[C@H]([NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001497729712 920375818 /nfs/dbraw/zinc/37/58/18/920375818.db2.gz HVDJULYCJVBXAJ-WWKJKZQJSA-N 2 1 296.415 -0.146 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497891626 920419440 /nfs/dbraw/zinc/41/94/40/920419440.db2.gz VZXYAWCGQBEAAR-VWYCJHECSA-N 2 1 270.377 -0.704 20 0 CBADMP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001497961912 920430458 /nfs/dbraw/zinc/43/04/58/920430458.db2.gz DWDVGPLCJJDXCC-SNVBAGLBSA-N 2 1 292.387 -0.197 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cnnn1C ZINC001497992603 920433445 /nfs/dbraw/zinc/43/34/45/920433445.db2.gz GTGUEUHRBBVDEK-LLVKDONJSA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001498041996 920459174 /nfs/dbraw/zinc/45/91/74/920459174.db2.gz JHSOMWHVAMGAEP-WDEREUQCSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001498059251 920462932 /nfs/dbraw/zinc/46/29/32/920462932.db2.gz AZPILDHLBFCGRC-WCQYABFASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CCC[NH+](C)C ZINC001498097482 920478188 /nfs/dbraw/zinc/47/81/88/920478188.db2.gz APDFVSBSCFBIHH-JTQLQIEISA-N 2 1 283.380 -0.854 20 0 CBADMP C[C@@H](C[NH2+]CCCO)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001498118558 920487629 /nfs/dbraw/zinc/48/76/29/920487629.db2.gz RQALELAYGVCUDB-NEPJUHHUSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001498159895 920503875 /nfs/dbraw/zinc/50/38/75/920503875.db2.gz LOLULSZNYWLWLS-WDEREUQCSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001498159895 920503881 /nfs/dbraw/zinc/50/38/81/920503881.db2.gz LOLULSZNYWLWLS-WDEREUQCSA-N 2 1 295.391 -0.854 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnnn1C ZINC001498168489 920510721 /nfs/dbraw/zinc/51/07/21/920510721.db2.gz LQQNGDYHVUZXTM-WDEREUQCSA-N 2 1 297.407 -0.293 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnnn1C ZINC001498168489 920510729 /nfs/dbraw/zinc/51/07/29/920510729.db2.gz LQQNGDYHVUZXTM-WDEREUQCSA-N 2 1 297.407 -0.293 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001498197541 920513926 /nfs/dbraw/zinc/51/39/26/920513926.db2.gz PAIKYRZBJZYISA-RYUDHWBXSA-N 2 1 286.420 -0.102 20 0 CBADMP C[C@H](C[N@@H+](C)CCn1cncn1)NC(=O)Cc1ncc[nH]1 ZINC001498416972 920576723 /nfs/dbraw/zinc/57/67/23/920576723.db2.gz ZNQZKSAGRUWEAO-LLVKDONJSA-N 2 1 291.359 -0.320 20 0 CBADMP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001498549799 920610294 /nfs/dbraw/zinc/61/02/94/920610294.db2.gz JSOPGEJOLPVFFO-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CN(CCC[NH2+]CCn1cncn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001498592996 920616734 /nfs/dbraw/zinc/61/67/34/920616734.db2.gz XIWZWAZFWIROPB-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C[NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001498788122 920639026 /nfs/dbraw/zinc/63/90/26/920639026.db2.gz CEZZWJPMYLOSBS-CMPLNLGQSA-N 2 1 293.371 -0.450 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C[NH2+]CCO)C1CC1 ZINC001498788150 920640460 /nfs/dbraw/zinc/64/04/60/920640460.db2.gz CJFCBABTWHUIKL-LBPRGKRZSA-N 2 1 266.345 -0.332 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCOCCO)CC1 ZINC001499049597 920690279 /nfs/dbraw/zinc/69/02/79/920690279.db2.gz JAQMGUVUEMZQMI-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCOCCO)CC1 ZINC001499049597 920690290 /nfs/dbraw/zinc/69/02/90/920690290.db2.gz JAQMGUVUEMZQMI-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP CCOCCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001499188902 920722258 /nfs/dbraw/zinc/72/22/58/920722258.db2.gz FXAOMWPXLWJPTB-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP CCOCCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001499188902 920722271 /nfs/dbraw/zinc/72/22/71/920722271.db2.gz FXAOMWPXLWJPTB-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001499230590 920723705 /nfs/dbraw/zinc/72/37/05/920723705.db2.gz ABVWNKXXXHDHMH-IJLUTSLNSA-N 2 1 294.399 -0.547 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@H](C)C(=O)NC)CC1 ZINC001499426812 920749744 /nfs/dbraw/zinc/74/97/44/920749744.db2.gz RSFWHBNVGKXBCG-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001499912925 920786269 /nfs/dbraw/zinc/78/62/69/920786269.db2.gz GZVAYOXMHWAPDS-NSHDSACASA-N 2 1 279.344 -0.743 20 0 CBADMP C[NH+]1CCC(OCC(=O)N[C@]2(C)CC[N@@H+](CCO)C2)CC1 ZINC001500272292 920820622 /nfs/dbraw/zinc/82/06/22/920820622.db2.gz MKNIYDWSPLPKRH-OAHLLOKOSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001500401745 920830815 /nfs/dbraw/zinc/83/08/15/920830815.db2.gz JMXQYSFGKZYHRK-RISCZKNCSA-N 2 1 282.388 -0.748 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001500600219 920839051 /nfs/dbraw/zinc/83/90/51/920839051.db2.gz CMORQXBBEODGQG-GFCCVEGCSA-N 2 1 285.388 -0.815 20 0 CBADMP CC[N@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500718274 920867325 /nfs/dbraw/zinc/86/73/25/920867325.db2.gz QGRYZNNNKCOCCA-CQSZACIVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500762828 920880709 /nfs/dbraw/zinc/88/07/09/920880709.db2.gz PVOFMOQZDBHNLY-TZMCWYRMSA-N 2 1 285.388 -0.984 20 0 CBADMP COCCC[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001500965938 920928954 /nfs/dbraw/zinc/92/89/54/920928954.db2.gz ZWJSSUWWKMBWTJ-UHFFFAOYSA-N 2 1 297.399 -0.718 20 0 CBADMP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001501051089 920938949 /nfs/dbraw/zinc/93/89/49/920938949.db2.gz RHAZTOSBRLUQJQ-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)CC1 ZINC001501228381 920956063 /nfs/dbraw/zinc/95/60/63/920956063.db2.gz ROBRGTRRVFKSTA-BETUJISGSA-N 2 1 281.400 -0.289 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCCO)C2)C1 ZINC001501551429 921036380 /nfs/dbraw/zinc/03/63/80/921036380.db2.gz BKJGWNLNMSPBIB-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCCO)C2)C1 ZINC001501551429 921036395 /nfs/dbraw/zinc/03/63/95/921036395.db2.gz BKJGWNLNMSPBIB-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001501568591 921040901 /nfs/dbraw/zinc/04/09/01/921040901.db2.gz NAYBCDFXUVBXIU-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001507453738 921828836 /nfs/dbraw/zinc/82/88/36/921828836.db2.gz MXSBNULMWGBQMW-LBPRGKRZSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507562167 921866589 /nfs/dbraw/zinc/86/65/89/921866589.db2.gz JQXDZXFBPNXSBW-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001507725932 921892565 /nfs/dbraw/zinc/89/25/65/921892565.db2.gz IUWUTMNLOSURQM-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CC(C)N(CC[N@H+](C)[C@H](C)C(N)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001507862871 921897870 /nfs/dbraw/zinc/89/78/70/921897870.db2.gz MCYXVZFSNVRIBZ-OLZOCXBDSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)N(CC[N@@H+](C)[C@H](C)C(N)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001507862871 921897875 /nfs/dbraw/zinc/89/78/75/921897875.db2.gz MCYXVZFSNVRIBZ-OLZOCXBDSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)N(CC[NH+](C)[C@H](C)C(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507862871 921897889 /nfs/dbraw/zinc/89/78/89/921897889.db2.gz MCYXVZFSNVRIBZ-OLZOCXBDSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)N(CC[NH+](C)[C@H](C)C(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507862871 921897897 /nfs/dbraw/zinc/89/78/97/921897897.db2.gz MCYXVZFSNVRIBZ-OLZOCXBDSA-N 2 1 298.431 -0.019 20 0 CBADMP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001514595779 922204613 /nfs/dbraw/zinc/20/46/13/922204613.db2.gz MNWAQSHJBIHBLF-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H](NC(=O)CC1CC([NH3+])C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001515359815 922230047 /nfs/dbraw/zinc/23/00/47/922230047.db2.gz QUDYWKIRDNIPGO-XVSSEFHLSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@@H](NC(=O)CC1CC([NH3+])C1)[C@@H]1CN(C)CCN1C ZINC001515359815 922230059 /nfs/dbraw/zinc/23/00/59/922230059.db2.gz QUDYWKIRDNIPGO-XVSSEFHLSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@@H](NC(=O)CC1CC([NH3+])C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001515359815 922230076 /nfs/dbraw/zinc/23/00/76/922230076.db2.gz QUDYWKIRDNIPGO-XVSSEFHLSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@@H](NC(=O)CC1CC([NH3+])C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001515359815 922230090 /nfs/dbraw/zinc/23/00/90/922230090.db2.gz QUDYWKIRDNIPGO-XVSSEFHLSA-N 2 1 268.405 -0.136 20 0 CBADMP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001515317281 922232513 /nfs/dbraw/zinc/23/25/13/922232513.db2.gz AHVBAAYMGCNAFB-WOPDTQHZSA-N 2 1 255.362 -0.219 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@H](CO)C1 ZINC001515357591 922232859 /nfs/dbraw/zinc/23/28/59/922232859.db2.gz HAGPPAAVYRERFX-GARJFASQSA-N 2 1 255.362 -0.505 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@H](CO)C1 ZINC001515357591 922232876 /nfs/dbraw/zinc/23/28/76/922232876.db2.gz HAGPPAAVYRERFX-GARJFASQSA-N 2 1 255.362 -0.505 20 0 CBADMP Cc1cc(N)nc(NCC(=O)N2CC[NH+](C)CC2)[nH+]1 ZINC001515406241 922235012 /nfs/dbraw/zinc/23/50/12/922235012.db2.gz HKNFGTOLZUTJKR-UHFFFAOYSA-N 2 1 264.333 -0.447 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C)[NH+](C)C ZINC001520328815 922304493 /nfs/dbraw/zinc/30/44/93/922304493.db2.gz KSPCGETVXBFBMQ-AGIUHOORSA-N 2 1 268.405 -0.169 20 0 CBADMP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001520421401 922306650 /nfs/dbraw/zinc/30/66/50/922306650.db2.gz BAWSYUDUKARHFX-WCQYABFASA-N 2 1 255.362 -0.394 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1CC[NH2+]CC1 ZINC001521144923 922332600 /nfs/dbraw/zinc/33/26/00/922332600.db2.gz HFRNCQBXYKSRCC-ZYHUDNBSSA-N 2 1 252.362 -0.757 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC001521408452 922354530 /nfs/dbraw/zinc/35/45/30/922354530.db2.gz KPDCHNHDTKFDER-LLVKDONJSA-N 2 1 287.360 -0.895 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC001521445275 922357840 /nfs/dbraw/zinc/35/78/40/922357840.db2.gz GLNMQYUOHQIIFR-RVMXOQNASA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001521526671 922367133 /nfs/dbraw/zinc/36/71/33/922367133.db2.gz FTVKEDYBMCTYML-UTUOFQBUSA-N 2 1 252.362 -0.676 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1([NH+](C)C)CC1 ZINC001521666485 922374745 /nfs/dbraw/zinc/37/47/45/922374745.db2.gz LNTAYWRLASASPP-NEPJUHHUSA-N 2 1 266.389 -0.415 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)c1cnn(C)c1 ZINC001522247467 922404464 /nfs/dbraw/zinc/40/44/64/922404464.db2.gz CSRQTNLMWLAAQV-JMJZKYOTSA-N 2 1 251.334 -0.453 20 0 CBADMP C[NH+](C)CC1(C(=O)NCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001522655598 922497953 /nfs/dbraw/zinc/49/79/53/922497953.db2.gz ZGQMGXGLWJQWGW-GFCCVEGCSA-N 2 1 296.415 -0.488 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001522675110 922501197 /nfs/dbraw/zinc/50/11/97/922501197.db2.gz SGSWVNMYBBOQLH-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001522696614 922503894 /nfs/dbraw/zinc/50/38/94/922503894.db2.gz DOEVVMPCXAQINQ-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001522696614 922503908 /nfs/dbraw/zinc/50/39/08/922503908.db2.gz DOEVVMPCXAQINQ-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001522696614 922503918 /nfs/dbraw/zinc/50/39/18/922503918.db2.gz DOEVVMPCXAQINQ-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](C(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001522765414 922516255 /nfs/dbraw/zinc/51/62/55/922516255.db2.gz TWMCCMGJXKFTQJ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](C(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001522765412 922516764 /nfs/dbraw/zinc/51/67/64/922516764.db2.gz TWMCCMGJXKFTQJ-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CN1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC[N@@H+](C)CC1 ZINC001523482660 922598427 /nfs/dbraw/zinc/59/84/27/922598427.db2.gz UQBWLSSMJCSIGZ-ZFWWWQNUSA-N 2 1 280.416 -0.308 20 0 CBADMP C[C@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)[C@@H]1C[N@@H+](C)CCN1C ZINC001524029768 922615933 /nfs/dbraw/zinc/61/59/33/922615933.db2.gz SJNIMEAECGBJBG-PJSNJIKXSA-N 2 1 266.389 -0.655 20 0 CBADMP [NH3+]C1(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC001524008471 922616117 /nfs/dbraw/zinc/61/61/17/922616117.db2.gz HFDMRLSRMRJIEF-WDEREUQCSA-N 2 1 253.346 -0.465 20 0 CBADMP C[C@H](C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH+](C)CC1 ZINC001524120597 922620585 /nfs/dbraw/zinc/62/05/85/922620585.db2.gz YEBUQIARNPEFJS-NDBYEHHHSA-N 2 1 266.389 -0.702 20 0 CBADMP CN(C(=O)c1n[nH]c2c1C[NH2+]CC2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001524119231 922621617 /nfs/dbraw/zinc/62/16/17/922621617.db2.gz CSHBUGIPLDIQCW-JDICNCQASA-N 2 1 261.329 -0.655 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC001527473538 922754353 /nfs/dbraw/zinc/75/43/53/922754353.db2.gz GLMLGSQHINFAME-AGIUHOORSA-N 2 1 266.389 -0.557 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001527473538 922754366 /nfs/dbraw/zinc/75/43/66/922754366.db2.gz GLMLGSQHINFAME-AGIUHOORSA-N 2 1 266.389 -0.557 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001527473538 922754380 /nfs/dbraw/zinc/75/43/80/922754380.db2.gz GLMLGSQHINFAME-AGIUHOORSA-N 2 1 266.389 -0.557 20 0 CBADMP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001528176890 922811619 /nfs/dbraw/zinc/81/16/19/922811619.db2.gz ZUZKDJUCAIVZEL-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001530649073 922956129 /nfs/dbraw/zinc/95/61/29/922956129.db2.gz QUPUJUZHDCTNHD-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCC(=O)NC/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001533585817 923110622 /nfs/dbraw/zinc/11/06/22/923110622.db2.gz KBIKUPMLNQZZJV-DSYXLKISSA-N 2 1 296.415 -0.179 20 0 CBADMP [NH3+]C[C@@H](O)CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC001548553734 923375975 /nfs/dbraw/zinc/37/59/75/923375975.db2.gz OEVGXTWUDPQTEW-STQMWFEESA-N 2 1 285.388 -0.591 20 0 CBADMP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC001548557600 923379456 /nfs/dbraw/zinc/37/94/56/923379456.db2.gz XNHBRWAFLXZRFY-SKDRFNHKSA-N 2 1 277.315 -0.444 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC001548559045 923381833 /nfs/dbraw/zinc/38/18/33/923381833.db2.gz ULJXERRZJGZCLV-BNOWGMLFSA-N 2 1 292.383 -0.229 20 0 CBADMP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001548569697 923389853 /nfs/dbraw/zinc/38/98/53/923389853.db2.gz RGQOUGZHVMMCLQ-ZFWWWQNUSA-N 2 1 297.399 -0.576 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC001548643102 923420635 /nfs/dbraw/zinc/42/06/35/923420635.db2.gz AJYJOODQNXZRFI-BPLDGKMQSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001548643102 923420651 /nfs/dbraw/zinc/42/06/51/923420651.db2.gz AJYJOODQNXZRFI-BPLDGKMQSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001548643102 923420657 /nfs/dbraw/zinc/42/06/57/923420657.db2.gz AJYJOODQNXZRFI-BPLDGKMQSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001548640572 923422752 /nfs/dbraw/zinc/42/27/52/923422752.db2.gz WXIHGWSBIYRIIX-HZSPNIEDSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C)[NH+](C)C1CC1 ZINC001548640220 923422825 /nfs/dbraw/zinc/42/28/25/923422825.db2.gz PITXVFDAXWFECC-BZPMIXESSA-N 2 1 280.416 -0.026 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C)[N@H+](C)C1CC1 ZINC001548640220 923422834 /nfs/dbraw/zinc/42/28/34/923422834.db2.gz PITXVFDAXWFECC-BZPMIXESSA-N 2 1 280.416 -0.026 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C)[N@@H+](C)C1CC1 ZINC001548640220 923422846 /nfs/dbraw/zinc/42/28/46/923422846.db2.gz PITXVFDAXWFECC-BZPMIXESSA-N 2 1 280.416 -0.026 20 0 CBADMP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CCSCC1 ZINC001548646089 923428343 /nfs/dbraw/zinc/42/83/43/923428343.db2.gz KVRAKYABFUVKCZ-QWHCGFSZSA-N 2 1 298.456 -0.460 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CCSCC1 ZINC001548646089 923428354 /nfs/dbraw/zinc/42/83/54/923428354.db2.gz KVRAKYABFUVKCZ-QWHCGFSZSA-N 2 1 298.456 -0.460 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001548653226 923433310 /nfs/dbraw/zinc/43/33/10/923433310.db2.gz BWIHLKJXONHWLV-SYQHCUMBSA-N 2 1 280.416 -0.026 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC001548699348 923457147 /nfs/dbraw/zinc/45/71/47/923457147.db2.gz CCUOJHAZYRHCSV-QWHCGFSZSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001548699348 923457151 /nfs/dbraw/zinc/45/71/51/923457151.db2.gz CCUOJHAZYRHCSV-QWHCGFSZSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001548699348 923457167 /nfs/dbraw/zinc/45/71/67/923457167.db2.gz CCUOJHAZYRHCSV-QWHCGFSZSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC001548694725 923460454 /nfs/dbraw/zinc/46/04/54/923460454.db2.gz YZBZNQXJMHYGLS-QWHCGFSZSA-N 2 1 278.400 -0.461 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1CCn2cncc2C1 ZINC001548723971 923473795 /nfs/dbraw/zinc/47/37/95/923473795.db2.gz FLPZZPFMSOMQSJ-BZPMIXESSA-N 2 1 289.383 -0.298 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC001548728064 923479508 /nfs/dbraw/zinc/47/95/08/923479508.db2.gz RTQIAHJEVYOFLZ-INWMFGNUSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001548979426 923518533 /nfs/dbraw/zinc/51/85/33/923518533.db2.gz QSOZSONCAQNKON-WOPDTQHZSA-N 2 1 277.372 -0.252 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2[NH+]2CC[C@@H](O)C2)C1 ZINC001548998100 923521954 /nfs/dbraw/zinc/52/19/54/923521954.db2.gz SRKQIBDPMFJBIO-SYQHCUMBSA-N 2 1 297.399 -0.579 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2[NH+]2CC[C@@H](O)C2)C1 ZINC001548998100 923521965 /nfs/dbraw/zinc/52/19/65/923521965.db2.gz SRKQIBDPMFJBIO-SYQHCUMBSA-N 2 1 297.399 -0.579 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)C1 ZINC001548998100 923521974 /nfs/dbraw/zinc/52/19/74/923521974.db2.gz SRKQIBDPMFJBIO-SYQHCUMBSA-N 2 1 297.399 -0.579 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)C1 ZINC001548998100 923521987 /nfs/dbraw/zinc/52/19/87/923521987.db2.gz SRKQIBDPMFJBIO-SYQHCUMBSA-N 2 1 297.399 -0.579 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC001549045401 923540349 /nfs/dbraw/zinc/54/03/49/923540349.db2.gz VWZWNKIBYXHWDD-RYUDHWBXSA-N 2 1 293.371 -0.729 20 0 CBADMP [NH3+]C[C@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CCCO1 ZINC001549048300 923548271 /nfs/dbraw/zinc/54/82/71/923548271.db2.gz CFEUNOKWGMXQTN-MNOVXSKESA-N 2 1 293.371 -0.324 20 0 CBADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)[C@@H]3COCC[NH2+]3)C2)C1 ZINC001549124132 923560077 /nfs/dbraw/zinc/56/00/77/923560077.db2.gz NXWQIZVCYVEJRJ-CRWXNKLISA-N 2 1 297.399 -0.280 20 0 CBADMP Cn1cc([C@H]2CN(C(=O)CC(F)(F)C[NH3+])C[C@@H]2[NH3+])cn1 ZINC001549135859 923563588 /nfs/dbraw/zinc/56/35/88/923563588.db2.gz FNFXQCZCRROPQR-ZJUUUORDSA-N 2 1 287.314 -0.343 20 0 CBADMP C[NH2+]CC(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549290326 923581228 /nfs/dbraw/zinc/58/12/28/923581228.db2.gz LJOXLKXADYTONF-RYUDHWBXSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(Nc1cn[nH]c1[C@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CCOC1 ZINC001549733077 923633004 /nfs/dbraw/zinc/63/30/04/923633004.db2.gz COCYMBUNZMXTEM-VHSXEESVSA-N 2 1 279.344 -0.339 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549741186 923638371 /nfs/dbraw/zinc/63/83/71/923638371.db2.gz YAOWJPJSUVXJRO-NEPJUHHUSA-N 2 1 288.355 -0.122 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549741335 923638849 /nfs/dbraw/zinc/63/88/49/923638849.db2.gz ZMQMFJSHKQBOBR-NEPJUHHUSA-N 2 1 288.355 -0.122 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001550061129 923664651 /nfs/dbraw/zinc/66/46/51/923664651.db2.gz PLGLYERWMARBQN-NWDGAFQWSA-N 2 1 264.329 -0.219 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550084844 923669189 /nfs/dbraw/zinc/66/91/89/923669189.db2.gz FKBBUHMYDAGJOI-TUAOUCFPSA-N 2 1 267.373 -0.131 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001550088167 923673188 /nfs/dbraw/zinc/67/31/88/923673188.db2.gz NTCKGPPUVVRDGI-AAEUAGOBSA-N 2 1 292.387 -0.230 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)c3cn(CC[NH3+])nn3)CC[C@H]21 ZINC001550104393 923683376 /nfs/dbraw/zinc/68/33/76/923683376.db2.gz MQWVEHJGJPESJH-CMPLNLGQSA-N 2 1 278.360 -0.597 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)c3cn(CCC[NH3+])nn3)CC[C@@H]21 ZINC001550104429 923683717 /nfs/dbraw/zinc/68/37/17/923683717.db2.gz NISGYORBLWEFTL-AAEUAGOBSA-N 2 1 292.387 -0.207 20 0 CBADMP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC001550103754 923684360 /nfs/dbraw/zinc/68/43/60/923684360.db2.gz ISPQDEYINHXFBD-VNHYZAJKSA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@H]3[NH3+])CC[C@H]21 ZINC001550105128 923684632 /nfs/dbraw/zinc/68/46/32/923684632.db2.gz YOSYHDGZOOWJQG-DDHJBXDOSA-N 2 1 253.346 -0.345 20 0 CBADMP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC001550103751 923684846 /nfs/dbraw/zinc/68/48/46/923684846.db2.gz ISPQDEYINHXFBD-KCQAQPDRSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1)[C@H](C)[NH3+] ZINC001550116725 923689900 /nfs/dbraw/zinc/68/99/00/923689900.db2.gz RDFKILCSQNJPMO-AGIUHOORSA-N 2 1 268.405 -0.182 20 0 CBADMP C[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001550117166 923690263 /nfs/dbraw/zinc/69/02/63/923690263.db2.gz WQHGKVQGAURSNC-NWDGAFQWSA-N 2 1 254.378 -0.428 20 0 CBADMP CN1CC[NH+]([C@H]2CCN(C(=O)CC3([NH3+])CC3)C2)CC1 ZINC001550117395 923691101 /nfs/dbraw/zinc/69/11/01/923691101.db2.gz ZRLTUWXMCLMBQE-LBPRGKRZSA-N 2 1 266.389 -0.284 20 0 CBADMP OC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001550148381 923700141 /nfs/dbraw/zinc/70/01/41/923700141.db2.gz NAFRGZFKTKADJA-FPCVCCKLSA-N 2 1 295.427 -0.010 20 0 CBADMP N[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@H]1[NH3+] ZINC001550268617 923714490 /nfs/dbraw/zinc/71/44/90/923714490.db2.gz YRNVWKBHVSJKPA-LPWJVIDDSA-N 2 1 281.404 -0.317 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550285968 923718326 /nfs/dbraw/zinc/71/83/26/923718326.db2.gz QKRLQWSCRWMDIW-YEKKKDRXSA-N 2 1 296.415 -0.119 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001550349448 923720331 /nfs/dbraw/zinc/72/03/31/923720331.db2.gz XBIFPSBQZVVXCH-UONOGXRCSA-N 2 1 296.415 -0.216 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@H]2C[NH2+]C[C@H]2C)CC1 ZINC001550349386 923720580 /nfs/dbraw/zinc/72/05/80/923720580.db2.gz PQHPDIVOJMCASI-TZMCWYRMSA-N 2 1 296.415 -0.488 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@H+](C[C@H]2C[NH2+]C[C@H]2C)CC1 ZINC001550349386 923720591 /nfs/dbraw/zinc/72/05/91/923720591.db2.gz PQHPDIVOJMCASI-TZMCWYRMSA-N 2 1 296.415 -0.488 20 0 CBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)[C@@H]2C1 ZINC001550717946 923736903 /nfs/dbraw/zinc/73/69/03/923736903.db2.gz BVSNQOLFTKLQOR-HPCHECBXSA-N 2 1 295.383 -0.563 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)NC[C@@H]3C[NH2+]CCCO3)C[C@]2(C)C1 ZINC001550730192 923740604 /nfs/dbraw/zinc/74/06/04/923740604.db2.gz FQJMBGFZBRVKQD-IPYPFGDCSA-N 2 1 296.415 -0.042 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)NC[C@H]3C[NH2+]CCCO3)C[C@@]2(C)C1 ZINC001550730194 923741628 /nfs/dbraw/zinc/74/16/28/923741628.db2.gz FQJMBGFZBRVKQD-UMVBOHGHSA-N 2 1 296.415 -0.042 20 0 CBADMP [NH3+][C@]12CC[C@@H]1CN(C(=O)NCc1cnn3c1C[NH2+]CC3)C2 ZINC001550758070 923748810 /nfs/dbraw/zinc/74/88/10/923748810.db2.gz SLNWESNXTSHMRI-RISCZKNCSA-N 2 1 290.371 -0.381 20 0 CBADMP CNC(=O)[C@@]12C[N@@H+](C[C@H]3CCC[NH2+]3)C[C@@H]1COCC2 ZINC001551411832 923779318 /nfs/dbraw/zinc/77/93/18/923779318.db2.gz ULRFOLKELPYXKE-BZPMIXESSA-N 2 1 267.373 -0.177 20 0 CBADMP CNC(=O)[C@@]12C[N@@H+](C[C@H]3CC[NH2+]C3)C[C@H]1COCC2 ZINC001551411911 923781353 /nfs/dbraw/zinc/78/13/53/923781353.db2.gz UPYJETQMJHODPW-OBJOEFQTSA-N 2 1 267.373 -0.320 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)[C@H](C)C1 ZINC001551581711 923804628 /nfs/dbraw/zinc/80/46/28/923804628.db2.gz OVBSZFSFXFGJDO-BUGODDKZSA-N 2 1 296.415 -0.037 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551586864 923805699 /nfs/dbraw/zinc/80/56/99/923805699.db2.gz ITIZFKMOIVAEII-ATWGWHJKSA-N 2 1 282.388 -0.114 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552167942 923844747 /nfs/dbraw/zinc/84/47/47/923844747.db2.gz ZWUHWZYPBRGGMP-QWRGUYRKSA-N 2 1 278.360 -0.506 20 0 CBADMP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC001552177200 923845981 /nfs/dbraw/zinc/84/59/81/923845981.db2.gz CQBIQSWGRWSMLP-VXGBXAGGSA-N 2 1 290.371 -0.267 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552199758 923855057 /nfs/dbraw/zinc/85/50/57/923855057.db2.gz IJZJZSFNFBWFBL-RGCMKSIDSA-N 2 1 279.384 -0.035 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552199478 923855076 /nfs/dbraw/zinc/85/50/76/923855076.db2.gz GIDMZPVOWSSIGD-GXTWGEPZSA-N 2 1 267.373 -0.225 20 0 CBADMP O=C(N1CC[N@H+]2CCC[C@@H]2C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552200256 923855922 /nfs/dbraw/zinc/85/59/22/923855922.db2.gz FBDISUIALRKLOO-OUCADQQQSA-N 2 1 265.357 -0.471 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552200992 923857935 /nfs/dbraw/zinc/85/79/35/923857935.db2.gz YPBFQYQNAMEOLA-WZRBSPASSA-N 2 1 253.346 -0.567 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201385 923859234 /nfs/dbraw/zinc/85/92/34/923859234.db2.gz MSAHZMSNMZDNEP-DGCLKSJQSA-N 2 1 264.329 -0.456 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552200976 923859709 /nfs/dbraw/zinc/85/97/09/923859709.db2.gz IUYYYTWCIDDARZ-UMVBOHGHSA-N 2 1 279.384 -0.177 20 0 CBADMP C[N@H+]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552202466 923863721 /nfs/dbraw/zinc/86/37/21/923863721.db2.gz GTSCFZOWOTVSBZ-DGCLKSJQSA-N 2 1 253.346 -0.614 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552210846 923869734 /nfs/dbraw/zinc/86/97/34/923869734.db2.gz RLAHLSLNNJQXQQ-AAVRWANBSA-N 2 1 299.415 -0.164 20 0 CBADMP C[C@@H]1CN(C(=O)N2C[C@@H](N)[C@H]([NH3+])C2)CC[N@H+](C2CC2)C1 ZINC001552294070 923885412 /nfs/dbraw/zinc/88/54/12/923885412.db2.gz XRKKLXHSUMDKAR-CYZMBNFOSA-N 2 1 281.404 -0.507 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001552434526 923903990 /nfs/dbraw/zinc/90/39/90/923903990.db2.gz UWYCYDXOYZVOKK-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC001552434360 923905378 /nfs/dbraw/zinc/90/53/78/923905378.db2.gz LXVMNQRENMSUNL-NSHDSACASA-N 2 1 292.387 -0.116 20 0 CBADMP C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001552808290 923920593 /nfs/dbraw/zinc/92/05/93/923920593.db2.gz ZNZQNDXBBJFWCB-ZIAGYGMSSA-N 2 1 297.447 -0.032 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)N3C[C@@H](N)[C@@H]([NH3+])C3)CC[C@H]21 ZINC001552961116 923927109 /nfs/dbraw/zinc/92/71/09/923927109.db2.gz RKUFTTQVYJVHKC-WISYIIOYSA-N 2 1 267.377 -0.897 20 0 CBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)N3C[C@@H]([NH3+])[C@@H](N)C3)CC[C@H]21 ZINC001552961116 923927123 /nfs/dbraw/zinc/92/71/23/923927123.db2.gz RKUFTTQVYJVHKC-WISYIIOYSA-N 2 1 267.377 -0.897 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)N3C[C@@H]([NH3+])[C@@H](N)C3)CC[C@H]21 ZINC001552961116 923927138 /nfs/dbraw/zinc/92/71/38/923927138.db2.gz RKUFTTQVYJVHKC-WISYIIOYSA-N 2 1 267.377 -0.897 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001552978174 923930653 /nfs/dbraw/zinc/93/06/53/923930653.db2.gz OSMGEDUEWXFXNU-STQMWFEESA-N 2 1 280.416 -0.500 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001552979472 923932041 /nfs/dbraw/zinc/93/20/41/923932041.db2.gz ZGKATOJSHMSWRI-AWEZNQCLSA-N 2 1 298.431 -0.947 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001552979472 923932055 /nfs/dbraw/zinc/93/20/55/923932055.db2.gz ZGKATOJSHMSWRI-AWEZNQCLSA-N 2 1 298.431 -0.947 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NCC2CC([NH+](C)C)C2)C1 ZINC001552987047 923932875 /nfs/dbraw/zinc/93/28/75/923932875.db2.gz MVDGQTJLACIJIP-UHFFFAOYSA-N 2 1 282.432 -0.064 20 0 CBADMP C[N@H+]1CCn2ncc(CN[C@H]3C[NH2+]CCOC3)c2C1 ZINC001553026559 923934185 /nfs/dbraw/zinc/93/41/85/923934185.db2.gz YXZQQRQEGDBMIP-LBPRGKRZSA-N 2 1 265.361 -0.594 20 0 CBADMP NC(=O)C12CC(C1)C[N@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001553304141 923946338 /nfs/dbraw/zinc/94/63/38/923946338.db2.gz ARUPDIDZYBKZFP-QCKFIBFJSA-N 2 1 265.357 -0.295 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC[C@@H]([NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553342449 923951434 /nfs/dbraw/zinc/95/14/34/923951434.db2.gz GHYRWXPECOZIAK-BZPMIXESSA-N 3 1 266.389 -0.523 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CCC[C@@H]([NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553342449 923951446 /nfs/dbraw/zinc/95/14/46/923951446.db2.gz GHYRWXPECOZIAK-BZPMIXESSA-N 3 1 266.389 -0.523 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC[C@H](C[NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553349871 923952385 /nfs/dbraw/zinc/95/23/85/923952385.db2.gz FBPZCTCZWDARJQ-NFAWXSAZSA-N 3 1 280.416 -0.275 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CCC[C@H](C[NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553349871 923952397 /nfs/dbraw/zinc/95/23/97/923952397.db2.gz FBPZCTCZWDARJQ-NFAWXSAZSA-N 3 1 280.416 -0.275 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CC[C@@H]([NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553347515 923952855 /nfs/dbraw/zinc/95/28/55/923952855.db2.gz GMVSPRCFLHPEAO-WZRBSPASSA-N 3 1 252.362 -0.913 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CC[C@@H]([NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553347515 923952865 /nfs/dbraw/zinc/95/28/65/923952865.db2.gz GMVSPRCFLHPEAO-WZRBSPASSA-N 3 1 252.362 -0.913 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC(C[NH3+])CC3)C[NH2+]C[C@@H]2C1 ZINC001553348809 923953259 /nfs/dbraw/zinc/95/32/59/923953259.db2.gz KIAVUCSSOPHFLX-HIFRSBDPSA-N 3 1 280.416 -0.275 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CCC(C[NH3+])CC3)C[NH2+]C[C@@H]2C1 ZINC001553348809 923953267 /nfs/dbraw/zinc/95/32/67/923953267.db2.gz KIAVUCSSOPHFLX-HIFRSBDPSA-N 3 1 280.416 -0.275 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC[C@@H]3CCCC[NH2+]3)C[NH2+]C[C@H]2C1 ZINC001553352007 923953369 /nfs/dbraw/zinc/95/33/69/923953369.db2.gz LWTCJUQQKIMZEY-YDHLFZDLSA-N 3 1 280.416 -0.214 20 0 CBADMP CN1CC[C@]2(C(=O)NC[C@@H]3CCCC[NH2+]3)C[NH2+]C[C@H]2C1 ZINC001553352007 923953378 /nfs/dbraw/zinc/95/33/78/923953378.db2.gz LWTCJUQQKIMZEY-YDHLFZDLSA-N 2 1 280.416 -0.214 20 0 CBADMP C[C@H]1Cn2nc(C(=O)NCCN3CC[NH2+]CC3)cc2C[NH2+]1 ZINC001553351785 923953814 /nfs/dbraw/zinc/95/38/14/923953814.db2.gz NSFMWDDJJOQFEH-NSHDSACASA-N 2 1 292.387 -0.990 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553350048 923954790 /nfs/dbraw/zinc/95/47/90/923954790.db2.gz RNEQJJSWGYNUSA-OCCSQVGLSA-N 3 1 266.389 -0.650 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CCC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553350048 923954793 /nfs/dbraw/zinc/95/47/93/923954793.db2.gz RNEQJJSWGYNUSA-OCCSQVGLSA-N 3 1 266.389 -0.650 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)CC[C@@H]1[NH3+] ZINC001553356683 923959968 /nfs/dbraw/zinc/95/99/68/923959968.db2.gz UIENCOURYIXOON-CXTNEJHOSA-N 3 1 280.416 -0.277 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)CC[C@@H]1[NH3+] ZINC001553356683 923959978 /nfs/dbraw/zinc/95/99/78/923959978.db2.gz UIENCOURYIXOON-CXTNEJHOSA-N 3 1 280.416 -0.277 20 0 CBADMP C[NH2+]C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)CC1 ZINC001553358704 923962415 /nfs/dbraw/zinc/96/24/15/923962415.db2.gz POTPFBIJPWZULH-SWLSCSKDSA-N 3 1 280.416 -0.262 20 0 CBADMP C[NH2+]C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)CC1 ZINC001553358704 923962425 /nfs/dbraw/zinc/96/24/25/923962425.db2.gz POTPFBIJPWZULH-SWLSCSKDSA-N 3 1 280.416 -0.262 20 0 CBADMP C[NH2+]C1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)CC1 ZINC001553358705 923962505 /nfs/dbraw/zinc/96/25/05/923962505.db2.gz POTPFBIJPWZULH-WFASDCNBSA-N 3 1 280.416 -0.262 20 0 CBADMP C[NH2+]C1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)CC1 ZINC001553358705 923962514 /nfs/dbraw/zinc/96/25/14/923962514.db2.gz POTPFBIJPWZULH-WFASDCNBSA-N 3 1 280.416 -0.262 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)CCO1 ZINC001553358649 923962628 /nfs/dbraw/zinc/96/26/28/923962628.db2.gz JDWZGFPIOVSXFQ-XFMPKHEZSA-N 3 1 296.415 -0.898 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)CCO1 ZINC001553358649 923962636 /nfs/dbraw/zinc/96/26/36/923962636.db2.gz JDWZGFPIOVSXFQ-XFMPKHEZSA-N 3 1 296.415 -0.898 20 0 CBADMP CN(CC(=O)NC1CC1)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553373310 923964080 /nfs/dbraw/zinc/96/40/80/923964080.db2.gz MMLQBROBLRHWBA-NHYWBVRUSA-N 2 1 294.399 -0.735 20 0 CBADMP CN(CC(=O)NC1CC1)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553373310 923964091 /nfs/dbraw/zinc/96/40/91/923964091.db2.gz MMLQBROBLRHWBA-NHYWBVRUSA-N 2 1 294.399 -0.735 20 0 CBADMP CC(C)NC(=O)CN(C)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553372716 923964921 /nfs/dbraw/zinc/96/49/21/923964921.db2.gz KGKQZIDLVQDKNG-DOMZBBRYSA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)NC(=O)CN(C)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553372716 923964933 /nfs/dbraw/zinc/96/49/33/923964933.db2.gz KGKQZIDLVQDKNG-DOMZBBRYSA-N 2 1 296.415 -0.489 20 0 CBADMP CCCNC(=O)CNC(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553372477 923965507 /nfs/dbraw/zinc/96/55/07/923965507.db2.gz ADOCPAWRNQXGRK-FZMZJTMJSA-N 2 1 282.388 -0.830 20 0 CBADMP Cn1nccc1NC(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553381934 923967253 /nfs/dbraw/zinc/96/72/53/923967253.db2.gz CAGYDFQYBBSSCV-GXFFZTMASA-N 2 1 263.345 -0.100 20 0 CBADMP C[C@H](O)CCNC(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553387492 923967335 /nfs/dbraw/zinc/96/73/35/923967335.db2.gz XICCRPANWLZLDP-DMDPSCGWSA-N 2 1 255.362 -0.585 20 0 CBADMP CN(C)C(=O)CN(C)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553375831 923968134 /nfs/dbraw/zinc/96/81/34/923968134.db2.gz YMWXDCJAWLYGCQ-RISCZKNCSA-N 2 1 282.388 -0.926 20 0 CBADMP CN(C)C(=O)CN(C)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553375831 923968144 /nfs/dbraw/zinc/96/81/44/923968144.db2.gz YMWXDCJAWLYGCQ-RISCZKNCSA-N 2 1 282.388 -0.926 20 0 CBADMP C[C@H](O)CCNC(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553387496 923969285 /nfs/dbraw/zinc/96/92/85/923969285.db2.gz XICCRPANWLZLDP-GVXVVHGQSA-N 2 1 255.362 -0.585 20 0 CBADMP CCNC(=O)[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553397866 923972343 /nfs/dbraw/zinc/97/23/43/923972343.db2.gz OTZKRYSLKQWICO-COPLHBTASA-N 2 1 282.388 -0.832 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)NC3CCOCC3)C[NH2+]C[C@H]2C1 ZINC001553397640 923972752 /nfs/dbraw/zinc/97/27/52/923972752.db2.gz POVDSVUZWNEJHH-SMDDNHRTSA-N 2 1 267.373 -0.177 20 0 CBADMP CCNC(=O)CN(CC)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553401769 923973025 /nfs/dbraw/zinc/97/30/25/923973025.db2.gz ZGTBYKVNYFUPAT-IUODEOHRSA-N 2 1 296.415 -0.488 20 0 CBADMP CCNC(=O)CN(CC)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553401769 923973034 /nfs/dbraw/zinc/97/30/34/923973034.db2.gz ZGTBYKVNYFUPAT-IUODEOHRSA-N 2 1 296.415 -0.488 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553407928 923980435 /nfs/dbraw/zinc/98/04/35/923980435.db2.gz IFOBDGXBTIJTSN-FIQHERPVSA-N 2 1 253.346 -0.284 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553410688 923986264 /nfs/dbraw/zinc/98/62/64/923986264.db2.gz QRDAKJOWCQMRBL-RHYQMDGZSA-N 2 1 253.346 -0.426 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553412505 923986438 /nfs/dbraw/zinc/98/64/38/923986438.db2.gz USBZTRRHLMRGME-NDBYEHHHSA-N 2 1 267.373 -0.036 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553413073 923987879 /nfs/dbraw/zinc/98/78/79/923987879.db2.gz PTNPAJSSSWWSAB-SRVKXCTJSA-N 2 1 264.329 -0.173 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553415058 923991227 /nfs/dbraw/zinc/99/12/27/923991227.db2.gz YBRCRKRIOSGWMN-RDBSUJKOSA-N 2 1 297.399 -0.314 20 0 CBADMP CN(C(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1)[C@H]1CC[N@@H+](C)C1 ZINC001553422887 923992779 /nfs/dbraw/zinc/99/27/79/923992779.db2.gz MWMJSALUQRCJPB-WHOHXGKFSA-N 2 1 253.346 -0.332 20 0 CBADMP 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 923995642 /nfs/dbraw/zinc/99/56/42/923995642.db2.gz RARBCKGWHWBMRG-ORWNZLQRSA-N 2 1 295.383 -0.971 20 0 CBADMP 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 923995922 /nfs/dbraw/zinc/99/59/22/923995922.db2.gz RARBCKGWHWBMRG-QUGYJXMDSA-N 2 1 295.383 -0.971 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@H]2CC[C@]2([NH3+])C1 ZINC001553446846 924000333 /nfs/dbraw/zinc/00/03/33/924000333.db2.gz DWENTGSMKVTKJY-BZPMIXESSA-N 2 1 281.404 -0.635 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@@H]([NH3+])C2(CCC2)C1 ZINC001553446962 924000464 /nfs/dbraw/zinc/00/04/64/924000464.db2.gz FLRBIGJGAJJKGS-CHWSQXEVSA-N 2 1 295.431 -0.245 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@H]([NH3+])C2(CCC2)C1 ZINC001553446965 924001656 /nfs/dbraw/zinc/00/16/56/924001656.db2.gz FLRBIGJGAJJKGS-OLZOCXBDSA-N 2 1 295.431 -0.245 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001553450174 924003141 /nfs/dbraw/zinc/00/31/41/924003141.db2.gz OTPFXAJXFCRGJF-UKRRQHHQSA-N 2 1 295.431 -0.230 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2CC[C@@]2([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC001553462444 924004363 /nfs/dbraw/zinc/00/43/63/924004363.db2.gz HELYDBWWJWGOAV-ZJQBRPOHSA-N 2 1 282.388 -0.162 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2CC[C@@]2([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001553462444 924004374 /nfs/dbraw/zinc/00/43/74/924004374.db2.gz HELYDBWWJWGOAV-ZJQBRPOHSA-N 2 1 282.388 -0.162 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2CC[C@]2([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC001553462442 924004801 /nfs/dbraw/zinc/00/48/01/924004801.db2.gz HELYDBWWJWGOAV-FMSGJZPZSA-N 2 1 282.388 -0.162 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2CC[C@]2([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC001553462442 924004809 /nfs/dbraw/zinc/00/48/09/924004809.db2.gz HELYDBWWJWGOAV-FMSGJZPZSA-N 2 1 282.388 -0.162 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553494282 924010498 /nfs/dbraw/zinc/01/04/98/924010498.db2.gz DXEOZTGXVKTVJD-AGIUHOORSA-N 2 1 284.404 -0.178 20 0 CBADMP C[C@H](C[NH3+])NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001553497925 924012962 /nfs/dbraw/zinc/01/29/62/924012962.db2.gz RAMUJKXGEDHQQN-GRYCIOLGSA-N 2 1 270.377 -0.426 20 0 CBADMP O=C(N[C@@H]1CCC[NH2+]C1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553499088 924013424 /nfs/dbraw/zinc/01/34/24/924013424.db2.gz YENKTIIHVSXNNC-HZSPNIEDSA-N 2 1 296.415 -0.021 20 0 CBADMP [NH3+]C1CC(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001553513003 924018587 /nfs/dbraw/zinc/01/85/87/924018587.db2.gz KTQXBTRUCFIQBM-HOAMVYINSA-N 2 1 296.415 -0.036 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001553510565 924019191 /nfs/dbraw/zinc/01/91/91/924019191.db2.gz QNVRVKACHWPFPS-YNEHKIRRSA-N 2 1 284.404 -0.165 20 0 CBADMP CN1CC[NH+]([C@H]2CCN(C(=O)NCC3(C[NH3+])CC3)C2)CC1 ZINC001553525502 924022090 /nfs/dbraw/zinc/02/20/90/924022090.db2.gz DRTIYCBGLUDRGT-ZDUSSCGKSA-N 2 1 295.431 -0.243 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553517619 924022479 /nfs/dbraw/zinc/02/24/79/924022479.db2.gz MMNXDVNNEQHWGZ-XUXIUFHCSA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)N3C[C@@H]([NH3+])[C@@H](N)C3)C[C@H]2C1 ZINC001553523491 924022649 /nfs/dbraw/zinc/02/26/49/924022649.db2.gz FGQMKTYXCGLBMV-KSTCHIGDSA-N 2 1 295.431 -0.261 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001553535206 924025451 /nfs/dbraw/zinc/02/54/51/924025451.db2.gz YWBVZMNWDRJCND-RDBSUJKOSA-N 2 1 295.431 -0.374 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3C[NH2+]C[C@H]3F)C2)CC1 ZINC001553543865 924028990 /nfs/dbraw/zinc/02/89/90/924028990.db2.gz OUHHFCHSVMBULD-UPJWGTAASA-N 2 1 299.394 -0.672 20 0 CBADMP C[C@@H](CC[NH+](C)C)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001558611795 924187625 /nfs/dbraw/zinc/18/76/25/924187625.db2.gz UKVCRJPYTNGOND-JTQLQIEISA-N 2 1 255.362 -0.227 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000337526151 214138100 /nfs/dbraw/zinc/13/81/00/214138100.db2.gz POOABCAYCOBPOC-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000337567404 214159662 /nfs/dbraw/zinc/15/96/62/214159662.db2.gz PLRKLIACWHGIDC-WCQYABFASA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000337567404 214159664 /nfs/dbraw/zinc/15/96/64/214159664.db2.gz PLRKLIACWHGIDC-WCQYABFASA-N 2 1 273.377 -0.864 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCC1 ZINC000337585321 214167992 /nfs/dbraw/zinc/16/79/92/214167992.db2.gz DWNUEZMBONLUAX-UHFFFAOYSA-N 2 1 272.393 -0.040 20 0 CBADMP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000350700634 219049727 /nfs/dbraw/zinc/04/97/27/219049727.db2.gz KQZXJAPSVUHBGK-ZDUSSCGKSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000350700634 219049728 /nfs/dbraw/zinc/04/97/28/219049728.db2.gz KQZXJAPSVUHBGK-ZDUSSCGKSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000337710185 282142765 /nfs/dbraw/zinc/14/27/65/282142765.db2.gz BEOHJOMJRVQVSE-SMDDNHRTSA-N 2 1 284.404 -0.165 20 0 CBADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000337948155 214327897 /nfs/dbraw/zinc/32/78/97/214327897.db2.gz LDRCUPZOYQENBZ-UHFFFAOYSA-N 2 1 291.355 -0.231 20 0 CBADMP O=C(C[N@H+]1CC[C@H](O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000337974286 214338406 /nfs/dbraw/zinc/33/84/06/214338406.db2.gz BKHVUPYNXPSJCW-ZDUSSCGKSA-N 2 1 267.373 -0.204 20 0 CBADMP O=C(C[N@@H+]1CC[C@H](O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000337974286 214338409 /nfs/dbraw/zinc/33/84/09/214338409.db2.gz BKHVUPYNXPSJCW-ZDUSSCGKSA-N 2 1 267.373 -0.204 20 0 CBADMP C[C@H](C[S@@](C)=O)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000350761261 219057895 /nfs/dbraw/zinc/05/78/95/219057895.db2.gz DDYDMNLRSBSRGZ-CWTRNNRKSA-N 2 1 289.445 -0.151 20 0 CBADMP C[C@H](C[S@@](C)=O)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000350761261 219057898 /nfs/dbraw/zinc/05/78/98/219057898.db2.gz DDYDMNLRSBSRGZ-CWTRNNRKSA-N 2 1 289.445 -0.151 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000493945262 230340256 /nfs/dbraw/zinc/34/02/56/230340256.db2.gz PJAVIPWYEBUYMM-SDDRHHMPSA-N 2 1 284.404 -0.327 20 0 CBADMP COC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000250569879 293117430 /nfs/dbraw/zinc/11/74/30/293117430.db2.gz DSJYMMLNBUEAAN-WOPDTQHZSA-N 2 1 255.362 -0.097 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351491310 219103660 /nfs/dbraw/zinc/10/36/60/219103660.db2.gz JLPCZEDXQUZECD-HBNTYKKESA-N 2 1 261.391 -0.405 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351491310 219103662 /nfs/dbraw/zinc/10/36/62/219103662.db2.gz JLPCZEDXQUZECD-HBNTYKKESA-N 2 1 261.391 -0.405 20 0 CBADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC(=O)N3CCOCC3)C[C@H]12 ZINC000351488848 219104728 /nfs/dbraw/zinc/10/47/28/219104728.db2.gz GJYGDDVSUBDSJN-FRRDWIJNSA-N 2 1 267.373 -0.096 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351557938 219124921 /nfs/dbraw/zinc/12/49/21/219124921.db2.gz QMDKPSTVTPVRNU-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351561545 219126577 /nfs/dbraw/zinc/12/65/77/219126577.db2.gz YYMLBDXWDKHBEI-RAIGVLPGSA-N 2 1 294.399 -0.547 20 0 CBADMP C[NH2+]CC(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000376588659 529956258 /nfs/dbraw/zinc/95/62/58/529956258.db2.gz WOJVTYIPMPBUKA-LBPRGKRZSA-N 2 1 282.388 -0.782 20 0 CBADMP C[NH2+]CC(=O)N1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000376586098 529956344 /nfs/dbraw/zinc/95/63/44/529956344.db2.gz JNZOUKLMFXKEQT-CHWSQXEVSA-N 2 1 284.404 -0.931 20 0 CBADMP C[NH2+]CC(=O)N1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000376586098 529956345 /nfs/dbraw/zinc/95/63/45/529956345.db2.gz JNZOUKLMFXKEQT-CHWSQXEVSA-N 2 1 284.404 -0.931 20 0 CBADMP CN1CCN(C(=O)CC[N@@H+](C)C2CC([NH3+])C2)CC1 ZINC000420344817 282398041 /nfs/dbraw/zinc/39/80/41/282398041.db2.gz YLSRBYVBBYJQQE-UHFFFAOYSA-N 2 1 254.378 -0.428 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC([NH3+])C1 ZINC000420344817 282398044 /nfs/dbraw/zinc/39/80/44/282398044.db2.gz YLSRBYVBBYJQQE-UHFFFAOYSA-N 3 1 254.378 -0.428 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC([NH3+])C1 ZINC000420344817 282398046 /nfs/dbraw/zinc/39/80/46/282398046.db2.gz YLSRBYVBBYJQQE-UHFFFAOYSA-N 3 1 254.378 -0.428 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000246504827 290108856 /nfs/dbraw/zinc/10/88/56/290108856.db2.gz QDBSTAVHFJWIQP-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000246504827 290108857 /nfs/dbraw/zinc/10/88/57/290108857.db2.gz QDBSTAVHFJWIQP-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)C[C@H](O)C[NH3+] ZINC000420349675 282398955 /nfs/dbraw/zinc/39/89/55/282398955.db2.gz DOXGKIARKMIURL-GFCCVEGCSA-N 2 1 294.355 -0.024 20 0 CBADMP COC[C@]1(C(=O)N2CC[N@H+](C)C[C@H]2C)CC[NH2+]C1 ZINC000261591596 293266919 /nfs/dbraw/zinc/26/69/19/293266919.db2.gz XTWNZIVXFRAVAA-YPMHNXCESA-N 2 1 255.362 -0.225 20 0 CBADMP COC[C@]1(C(=O)N2CC[N@@H+](C)C[C@H]2C)CC[NH2+]C1 ZINC000261591596 293266920 /nfs/dbraw/zinc/26/69/20/293266920.db2.gz XTWNZIVXFRAVAA-YPMHNXCESA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1(CO)CCOCC1 ZINC000351649911 219162768 /nfs/dbraw/zinc/16/27/68/219162768.db2.gz NLOJBPPUHTYBMK-CYBMUJFWSA-N 2 1 272.389 -0.085 20 0 CBADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1(CO)CCOCC1 ZINC000351649911 219162770 /nfs/dbraw/zinc/16/27/70/219162770.db2.gz NLOJBPPUHTYBMK-CYBMUJFWSA-N 2 1 272.389 -0.085 20 0 CBADMP C[NH+](C[C@@H](O)C[N@H+](C)C1(CO)CCOCC1)C1CC1 ZINC000351649911 219162773 /nfs/dbraw/zinc/16/27/73/219162773.db2.gz NLOJBPPUHTYBMK-CYBMUJFWSA-N 2 1 272.389 -0.085 20 0 CBADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1(CO)CCOCC1)C1CC1 ZINC000351649911 219162774 /nfs/dbraw/zinc/16/27/74/219162774.db2.gz NLOJBPPUHTYBMK-CYBMUJFWSA-N 2 1 272.389 -0.085 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](C)C2)C1 ZINC000351878507 219234459 /nfs/dbraw/zinc/23/44/59/219234459.db2.gz PHSSAYALIUKZTF-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](C)C2)C1 ZINC000351878507 219234460 /nfs/dbraw/zinc/23/44/60/219234460.db2.gz PHSSAYALIUKZTF-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000351878507 219234462 /nfs/dbraw/zinc/23/44/62/219234462.db2.gz PHSSAYALIUKZTF-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000351878507 219234463 /nfs/dbraw/zinc/23/44/63/219234463.db2.gz PHSSAYALIUKZTF-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)[C@H]1COCC[NH2+]1 ZINC000361077693 295811541 /nfs/dbraw/zinc/81/15/41/295811541.db2.gz CUUFVRLEUJZBQT-IJLUTSLNSA-N 2 1 253.346 -0.521 20 0 CBADMP CCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000037626861 351400975 /nfs/dbraw/zinc/40/09/75/351400975.db2.gz WQNDSJPBTJQWPC-LLVKDONJSA-N 2 1 270.377 -0.430 20 0 CBADMP NS(=O)(=O)c1ccc(N2CC[NH+](CCC[NH3+])CC2)cc1 ZINC000037674054 351403129 /nfs/dbraw/zinc/40/31/29/351403129.db2.gz LSOOGLOFYIQFJQ-UHFFFAOYSA-N 2 1 298.412 -0.195 20 0 CBADMP CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000044529788 351444558 /nfs/dbraw/zinc/44/45/58/351444558.db2.gz QRGYEIKIUJYKEW-SNVBAGLBSA-N 2 1 268.361 -0.013 20 0 CBADMP CC1(C)NC(=O)N(CC[N@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000044529788 351444565 /nfs/dbraw/zinc/44/45/65/351444565.db2.gz QRGYEIKIUJYKEW-SNVBAGLBSA-N 2 1 268.361 -0.013 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000040631440 351418233 /nfs/dbraw/zinc/41/82/33/351418233.db2.gz WTBYWZDYJLOEID-NWDGAFQWSA-N 2 1 271.361 -0.798 20 0 CBADMP CNC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958803 351516167 /nfs/dbraw/zinc/51/61/67/351516167.db2.gz CPRPNZSULCPERX-UHFFFAOYSA-N 2 1 255.362 -0.223 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccno2)C1 ZINC000063180240 351580083 /nfs/dbraw/zinc/58/00/83/351580083.db2.gz BXZTUHMCYKJNCR-JTQLQIEISA-N 2 1 252.318 -0.039 20 0 CBADMP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180355 351580203 /nfs/dbraw/zinc/58/02/03/351580203.db2.gz PUKHPARKHVWSTI-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179926 351580456 /nfs/dbraw/zinc/58/04/56/351580456.db2.gz RKPRQKUQWFKUTE-STQMWFEESA-N 2 1 298.431 -0.066 20 0 CBADMP O=C(C[N@@H+]1CCNC(=O)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000065955275 351595212 /nfs/dbraw/zinc/59/52/12/351595212.db2.gz HMDUGVUPCJHUQN-UHFFFAOYSA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(C[N@H+]1CCNC(=O)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000065955275 351595218 /nfs/dbraw/zinc/59/52/18/351595218.db2.gz HMDUGVUPCJHUQN-UHFFFAOYSA-N 2 1 294.399 -0.449 20 0 CBADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000070074105 351634659 /nfs/dbraw/zinc/63/46/59/351634659.db2.gz OVHUPCBPSRTZPZ-GFCCVEGCSA-N 2 1 255.362 -0.094 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000070174115 351635709 /nfs/dbraw/zinc/63/57/09/351635709.db2.gz SOPGWWSJIQKLCN-UWVGGRQHSA-N 2 1 254.334 -0.403 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000068807712 351622553 /nfs/dbraw/zinc/62/25/53/351622553.db2.gz LWLLWZZWHIEUTI-HUUCEWRRSA-N 2 1 290.411 -0.082 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000080994844 351701301 /nfs/dbraw/zinc/70/13/01/351701301.db2.gz HROVFSBBVYJBRR-CYBMUJFWSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000081354704 351705424 /nfs/dbraw/zinc/70/54/24/351705424.db2.gz LDPBBYCIAFIXGV-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000081354704 351705428 /nfs/dbraw/zinc/70/54/28/351705428.db2.gz LDPBBYCIAFIXGV-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C1CC1 ZINC000081338849 351705879 /nfs/dbraw/zinc/70/58/79/351705879.db2.gz WQRRKUDSRQVLHR-JQWIXIFHSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C1CC1 ZINC000081338849 351705883 /nfs/dbraw/zinc/70/58/83/351705883.db2.gz WQRRKUDSRQVLHR-JQWIXIFHSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+](C)C1CC1 ZINC000081338849 351705890 /nfs/dbraw/zinc/70/58/90/351705890.db2.gz WQRRKUDSRQVLHR-JQWIXIFHSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)C1CC1 ZINC000081338849 351705894 /nfs/dbraw/zinc/70/58/94/351705894.db2.gz WQRRKUDSRQVLHR-JQWIXIFHSA-N 2 1 255.362 -0.084 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000092137576 351748654 /nfs/dbraw/zinc/74/86/54/351748654.db2.gz ORVOPKSZSDOTDX-TUAOUCFPSA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)C[NH+]1CCOCC1 ZINC000082257963 351711548 /nfs/dbraw/zinc/71/15/48/351711548.db2.gz LEDHVEULYRGONU-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000109702686 351798638 /nfs/dbraw/zinc/79/86/38/351798638.db2.gz RIMXXBFJMHTHSX-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000109702686 351798643 /nfs/dbraw/zinc/79/86/43/351798643.db2.gz RIMXXBFJMHTHSX-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000092957070 351754627 /nfs/dbraw/zinc/75/46/27/351754627.db2.gz ZNBSPUYMDZYNIT-QJPTWQEYSA-N 2 1 254.378 -0.654 20 0 CBADMP C[NH+]1CCN(C(=O)CN2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000093171172 351757632 /nfs/dbraw/zinc/75/76/32/351757632.db2.gz KJAFTKADMRFTIG-CQSZACIVSA-N 2 1 280.416 -0.070 20 0 CBADMP CCNC(=O)NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072843 351763363 /nfs/dbraw/zinc/76/33/63/351763363.db2.gz RJGRHNCXMBCRNB-UHFFFAOYSA-N 2 1 286.376 -0.338 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094571535 351763966 /nfs/dbraw/zinc/76/39/66/351763966.db2.gz LPMCFFCXVUVLHC-MNOVXSKESA-N 2 1 259.350 -0.813 20 0 CBADMP C[C@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)CC[C@@H]1[NH3+] ZINC000094342309 351764556 /nfs/dbraw/zinc/76/45/56/351764556.db2.gz LZMQEZDKHORCMI-UWVGGRQHSA-N 2 1 268.361 -0.014 20 0 CBADMP C[C@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)CC[C@@H]1[NH3+] ZINC000094342309 351764560 /nfs/dbraw/zinc/76/45/60/351764560.db2.gz LZMQEZDKHORCMI-UWVGGRQHSA-N 2 1 268.361 -0.014 20 0 CBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000111599576 351803827 /nfs/dbraw/zinc/80/38/27/351803827.db2.gz YBSOOARAAQWQNO-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000111599576 351803828 /nfs/dbraw/zinc/80/38/28/351803828.db2.gz YBSOOARAAQWQNO-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000119366994 351832772 /nfs/dbraw/zinc/83/27/72/351832772.db2.gz XFQQLTOJLXGDLE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000119366994 351832773 /nfs/dbraw/zinc/83/27/73/351832773.db2.gz XFQQLTOJLXGDLE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000119366994 351832775 /nfs/dbraw/zinc/83/27/75/351832775.db2.gz XFQQLTOJLXGDLE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000114384922 351817516 /nfs/dbraw/zinc/81/75/16/351817516.db2.gz JUGXWFRGKCMQFB-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[C@@H]1C[N@@H+](CCC(=O)NC(=O)NC)CC[C@@H]1[NH3+] ZINC000122807924 351853828 /nfs/dbraw/zinc/85/38/28/351853828.db2.gz VGMDWMVLHGDFNZ-ZJUUUORDSA-N 2 1 256.350 -0.109 20 0 CBADMP C[NH2+]CCC[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000124908637 351856712 /nfs/dbraw/zinc/85/67/12/351856712.db2.gz ZBZRMDVXQZMWBH-UHFFFAOYSA-N 2 1 256.350 -0.142 20 0 CBADMP C[NH2+]CCC[N@@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000124908637 351856715 /nfs/dbraw/zinc/85/67/15/351856715.db2.gz ZBZRMDVXQZMWBH-UHFFFAOYSA-N 2 1 256.350 -0.142 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000120952855 351845100 /nfs/dbraw/zinc/84/51/00/351845100.db2.gz CWMBKWUUIBITRQ-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000130516857 351880048 /nfs/dbraw/zinc/88/00/48/351880048.db2.gz HSFCPWGVYLBHAK-AGIUHOORSA-N 2 1 283.372 -0.656 20 0 CBADMP C[NH+](C)CC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000128872012 351866300 /nfs/dbraw/zinc/86/63/00/351866300.db2.gz ACONOSPSGIKECZ-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129667318 351873155 /nfs/dbraw/zinc/87/31/55/351873155.db2.gz DVJMVDPSXITVRP-LLVKDONJSA-N 2 1 284.360 -0.775 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000131762112 351888961 /nfs/dbraw/zinc/88/89/61/351888961.db2.gz PRZOKYDPGAKIFI-NXEZZACHSA-N 2 1 268.361 -0.014 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)NCC[NH+](C)C ZINC000133753751 351900869 /nfs/dbraw/zinc/90/08/69/351900869.db2.gz ZUOMPNYIMPXUNW-UHFFFAOYSA-N 2 1 260.382 -0.185 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000159770991 351965706 /nfs/dbraw/zinc/96/57/06/351965706.db2.gz XRCOPTBYZAKXHI-NSHDSACASA-N 2 1 259.350 -0.859 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000164990879 351984405 /nfs/dbraw/zinc/98/44/05/351984405.db2.gz LWODGNCHOSKBIQ-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000164474666 351984615 /nfs/dbraw/zinc/98/46/15/351984615.db2.gz JOTLTUADHKYWNU-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000164810310 351984810 /nfs/dbraw/zinc/98/48/10/351984810.db2.gz NLJMYTCCIUDHNN-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000164810310 351984814 /nfs/dbraw/zinc/98/48/14/351984814.db2.gz NLJMYTCCIUDHNN-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000168013486 351991806 /nfs/dbraw/zinc/99/18/06/351991806.db2.gz VMDGDPCTWPSFFT-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)C2(OC)CC[NH2+]CC2)C[C@H]1C ZINC000168030048 351992142 /nfs/dbraw/zinc/99/21/42/351992142.db2.gz VCZSYKRMDHXZQO-CYBMUJFWSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+]1CCN(C(=O)C2(OC)CC[NH2+]CC2)C[C@H]1C ZINC000168030048 351992144 /nfs/dbraw/zinc/99/21/44/351992144.db2.gz VCZSYKRMDHXZQO-CYBMUJFWSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+](C)C[C@H]1CC[NH+](CCCS(N)(=O)=O)C1 ZINC000173886426 352042022 /nfs/dbraw/zinc/04/20/22/352042022.db2.gz UHEKHSHRZXSSTP-LLVKDONJSA-N 2 1 263.407 -0.061 20 0 CBADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCS(N)(=O)=O)C1 ZINC000173886426 352042024 /nfs/dbraw/zinc/04/20/24/352042024.db2.gz UHEKHSHRZXSSTP-LLVKDONJSA-N 2 1 263.407 -0.061 20 0 CBADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCS(N)(=O)=O)C1 ZINC000173886426 352042027 /nfs/dbraw/zinc/04/20/27/352042027.db2.gz UHEKHSHRZXSSTP-LLVKDONJSA-N 2 1 263.407 -0.061 20 0 CBADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000173886426 352042031 /nfs/dbraw/zinc/04/20/31/352042031.db2.gz UHEKHSHRZXSSTP-LLVKDONJSA-N 2 1 263.407 -0.061 20 0 CBADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000174352200 352045563 /nfs/dbraw/zinc/04/55/63/352045563.db2.gz NTUDPMBFFTWZHX-GFCCVEGCSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000174352200 352045566 /nfs/dbraw/zinc/04/55/66/352045566.db2.gz NTUDPMBFFTWZHX-GFCCVEGCSA-N 2 1 255.362 -0.130 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCCN2CC[NH+](C)CC2)C1=O ZINC000174712990 352049625 /nfs/dbraw/zinc/04/96/25/352049625.db2.gz PDCIQRKBMDEDPM-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000174851804 352052245 /nfs/dbraw/zinc/05/22/45/352052245.db2.gz UDZSOGDYCWMDCY-VXGBXAGGSA-N 2 1 255.362 -0.273 20 0 CBADMP C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000174851804 352052249 /nfs/dbraw/zinc/05/22/49/352052249.db2.gz UDZSOGDYCWMDCY-VXGBXAGGSA-N 2 1 255.362 -0.273 20 0 CBADMP CC(C)([NH3+])CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186666245 352130158 /nfs/dbraw/zinc/13/01/58/352130158.db2.gz ZDIAOLZLVZRIPJ-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186720846 352131730 /nfs/dbraw/zinc/13/17/30/352131730.db2.gz AQDDGZOBFFJYJL-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000178699448 352081018 /nfs/dbraw/zinc/08/10/18/352081018.db2.gz AGRNKNAVPCAUMB-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000178881961 352084570 /nfs/dbraw/zinc/08/45/70/352084570.db2.gz WBLGPDHXLQNJKJ-CHWSQXEVSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000178881934 352084896 /nfs/dbraw/zinc/08/48/96/352084896.db2.gz WBLGPDHXLQNJKJ-OLZOCXBDSA-N 2 1 268.405 -0.119 20 0 CBADMP CCN1CC[NH+](CCC(=O)N(C)[C@@H]2CC[NH2+]C2)CC1 ZINC000179091794 352087932 /nfs/dbraw/zinc/08/79/32/352087932.db2.gz XGDXEHYRZPOXRK-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)Cn1cccn1 ZINC000179282988 352089215 /nfs/dbraw/zinc/08/92/15/352089215.db2.gz MPGKDLVKGRRRPA-HNNXBMFYSA-N 2 1 295.431 -0.187 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000185090600 352114854 /nfs/dbraw/zinc/11/48/54/352114854.db2.gz AYMSSKSBWPQCMX-RNJOBUHISA-N 2 1 267.373 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000185090600 352114857 /nfs/dbraw/zinc/11/48/57/352114857.db2.gz AYMSSKSBWPQCMX-RNJOBUHISA-N 2 1 267.373 -0.097 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C[N@H+]1C1CC1 ZINC000188272315 352150618 /nfs/dbraw/zinc/15/06/18/352150618.db2.gz NQPLSGXMZDNHIN-CKYFFXLPSA-N 2 1 253.346 -0.284 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C[N@H+]1C1CC1 ZINC000188272339 352150755 /nfs/dbraw/zinc/15/07/55/352150755.db2.gz NQPLSGXMZDNHIN-HOSYDEDBSA-N 2 1 253.346 -0.284 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188726709 352156957 /nfs/dbraw/zinc/15/69/57/352156957.db2.gz CMGWDQQLDYBBHZ-VIFPVBQESA-N 2 1 263.345 -0.263 20 0 CBADMP COCCCN(CCO)CC(=O)N1CCN(C)CC1 ZINC000189890597 352175273 /nfs/dbraw/zinc/17/52/73/352175273.db2.gz ZHRJIUHFSFHGTC-UHFFFAOYSA-N 2 1 273.377 -0.909 20 0 CBADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000192095662 352195595 /nfs/dbraw/zinc/19/55/95/352195595.db2.gz XBWFLPRSSNFHNM-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000187890281 352143123 /nfs/dbraw/zinc/14/31/23/352143123.db2.gz RHGCXOOOMOGITQ-BFHYXJOUSA-N 2 1 299.415 -0.164 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188074189 352147144 /nfs/dbraw/zinc/14/71/44/352147144.db2.gz LWODGNCHOSKBIQ-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000188093428 352147611 /nfs/dbraw/zinc/14/76/11/352147611.db2.gz MRKQPHSULSUNDG-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000219035949 352236759 /nfs/dbraw/zinc/23/67/59/352236759.db2.gz PJTLRAZBLGZQDK-AAEUAGOBSA-N 2 1 286.420 -0.068 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000221110979 352239759 /nfs/dbraw/zinc/23/97/59/352239759.db2.gz AKOMDQKGKXLJPM-GHMZBOCLSA-N 2 1 261.391 -0.248 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000221110979 352239761 /nfs/dbraw/zinc/23/97/61/352239761.db2.gz AKOMDQKGKXLJPM-GHMZBOCLSA-N 2 1 261.391 -0.248 20 0 CBADMP Cn1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(=O)n(C)c1=O ZINC000194539145 352216717 /nfs/dbraw/zinc/21/67/17/352216717.db2.gz YYBRTUXVNPTPCX-PHIMTYICSA-N 2 1 278.356 -0.923 20 0 CBADMP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(=O)n(C)c1=O ZINC000194539145 352216719 /nfs/dbraw/zinc/21/67/19/352216719.db2.gz YYBRTUXVNPTPCX-PHIMTYICSA-N 2 1 278.356 -0.923 20 0 CBADMP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(=O)n(C)c1=O ZINC000194539145 352216721 /nfs/dbraw/zinc/21/67/21/352216721.db2.gz YYBRTUXVNPTPCX-PHIMTYICSA-N 2 1 278.356 -0.923 20 0 CBADMP Cn1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(=O)n(C)c1=O ZINC000194539145 352216724 /nfs/dbraw/zinc/21/67/24/352216724.db2.gz YYBRTUXVNPTPCX-PHIMTYICSA-N 2 1 278.356 -0.923 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000225356028 352247039 /nfs/dbraw/zinc/24/70/39/352247039.db2.gz FAOXJPHZWKMHLV-RYUDHWBXSA-N 2 1 254.378 -0.510 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000226083906 352251296 /nfs/dbraw/zinc/25/12/96/352251296.db2.gz XSDVKNVISZTNOI-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000226399346 352252207 /nfs/dbraw/zinc/25/22/07/352252207.db2.gz GVWWYPDITMRWOW-PWSUYJOCSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000226399333 352252269 /nfs/dbraw/zinc/25/22/69/352252269.db2.gz GVWWYPDITMRWOW-ZYHUDNBSSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)COC1CC[NH2+]CC1 ZINC000235447931 352287555 /nfs/dbraw/zinc/28/75/55/352287555.db2.gz KQEXEGFFEBYBLN-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)COC1CC[NH2+]CC1 ZINC000235447931 352287560 /nfs/dbraw/zinc/28/75/60/352287560.db2.gz KQEXEGFFEBYBLN-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)C1(C[NH3+])CCOCC1 ZINC000235715955 352287658 /nfs/dbraw/zinc/28/76/58/352287658.db2.gz LBLHGJQBDYHRMM-NSHDSACASA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)C1(C[NH3+])CCOCC1 ZINC000235715955 352287662 /nfs/dbraw/zinc/28/76/62/352287662.db2.gz LBLHGJQBDYHRMM-NSHDSACASA-N 2 1 255.362 -0.096 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[NH3+])CC1=O ZINC000236831486 352294693 /nfs/dbraw/zinc/29/46/93/352294693.db2.gz ZXHMQOBIGCVZNP-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CN1CCO[C@@H](C(=O)N2CC[C@@H](CN3CCOCC3)C2)C1 ZINC000245417056 352319574 /nfs/dbraw/zinc/31/95/74/352319574.db2.gz FRTTXWDNIJYTOM-UONOGXRCSA-N 2 1 297.399 -0.502 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000236873987 352295384 /nfs/dbraw/zinc/29/53/84/352295384.db2.gz JYXCSXRRRRNUCI-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000236898746 352296014 /nfs/dbraw/zinc/29/60/14/352296014.db2.gz YXYSMVYBQHWQRU-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000236898746 352296020 /nfs/dbraw/zinc/29/60/20/352296020.db2.gz YXYSMVYBQHWQRU-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H](C)O1 ZINC000237494849 352305800 /nfs/dbraw/zinc/30/58/00/352305800.db2.gz QMWHDPZHPWWJMK-FDYHWXHSSA-N 2 1 299.415 -0.287 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000237959664 352311950 /nfs/dbraw/zinc/31/19/50/352311950.db2.gz VVFMCVLLRKZTQM-STQMWFEESA-N 2 1 267.373 -0.081 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000245469708 352321440 /nfs/dbraw/zinc/32/14/40/352321440.db2.gz VLTGYXQPAWGRJC-QWHCGFSZSA-N 2 1 283.372 -0.704 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000245469708 352321441 /nfs/dbraw/zinc/32/14/41/352321441.db2.gz VLTGYXQPAWGRJC-QWHCGFSZSA-N 2 1 283.372 -0.704 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000246302252 352331333 /nfs/dbraw/zinc/33/13/33/352331333.db2.gz OAMZYISDLZVZPQ-SRVKXCTJSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000246302252 352331335 /nfs/dbraw/zinc/33/13/35/352331335.db2.gz OAMZYISDLZVZPQ-SRVKXCTJSA-N 2 1 255.362 -0.491 20 0 CBADMP C[N@@H+]1CCC[C@H]2C[NH+](CCN3C(=O)CNC3=O)CC[C@H]21 ZINC000247921212 352348905 /nfs/dbraw/zinc/34/89/05/352348905.db2.gz BEBGYABVDNUOIO-NWDGAFQWSA-N 2 1 280.372 -0.046 20 0 CBADMP C[N@H+]1CCC[C@H]2C[NH+](CCN3C(=O)CNC3=O)CC[C@H]21 ZINC000247921212 352348911 /nfs/dbraw/zinc/34/89/11/352348911.db2.gz BEBGYABVDNUOIO-NWDGAFQWSA-N 2 1 280.372 -0.046 20 0 CBADMP C[NH+]1CCC[C@H]2C[N@H+](CCN3C(=O)CNC3=O)CC[C@H]21 ZINC000247921212 352348914 /nfs/dbraw/zinc/34/89/14/352348914.db2.gz BEBGYABVDNUOIO-NWDGAFQWSA-N 2 1 280.372 -0.046 20 0 CBADMP C[NH+]1CCC[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)CC[C@H]21 ZINC000247921212 352348916 /nfs/dbraw/zinc/34/89/16/352348916.db2.gz BEBGYABVDNUOIO-NWDGAFQWSA-N 2 1 280.372 -0.046 20 0 CBADMP COC(=O)CNC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248201854 352350412 /nfs/dbraw/zinc/35/04/12/352350412.db2.gz YYZGEVRDAJSXJD-VXGBXAGGSA-N 2 1 283.372 -0.308 20 0 CBADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000249118504 352360927 /nfs/dbraw/zinc/36/09/27/352360927.db2.gz GBQPCOZYTJGAPU-SCRDCRAPSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@H+]1C[C@H](C)O ZINC000249099816 352361316 /nfs/dbraw/zinc/36/13/16/352361316.db2.gz ZQDIGYUFGXQDJA-RWMBFGLXSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@H]1COCC[N@@H+]1CCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000249635331 352369590 /nfs/dbraw/zinc/36/95/90/352369590.db2.gz WJPWBSCIFZOIAS-KBPBESRZSA-N 2 1 271.405 -0.031 20 0 CBADMP C[C@H]1COCC[N@H+]1CCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000249635331 352369593 /nfs/dbraw/zinc/36/95/93/352369593.db2.gz WJPWBSCIFZOIAS-KBPBESRZSA-N 2 1 271.405 -0.031 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000250369165 352372396 /nfs/dbraw/zinc/37/23/96/352372396.db2.gz VISVJCYAWHDIRU-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000250412112 352372445 /nfs/dbraw/zinc/37/24/45/352372445.db2.gz WSLCLIAHWUGMMX-RYUDHWBXSA-N 2 1 286.445 -0.557 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCC[NH2+]C1 ZINC000250521529 352373369 /nfs/dbraw/zinc/37/33/69/352373369.db2.gz LITFGCKVBFJIQI-RWMBFGLXSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1C[NH2+]CCO1 ZINC000250860706 352373924 /nfs/dbraw/zinc/37/39/24/352373924.db2.gz QDOWETVYWAKBNI-GRYCIOLGSA-N 2 1 253.346 -0.282 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000251072771 352374525 /nfs/dbraw/zinc/37/45/25/352374525.db2.gz ZFILTRYOZCBNDE-GRYCIOLGSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000251747107 352374903 /nfs/dbraw/zinc/37/49/03/352374903.db2.gz GQXHIRJALSLZBH-SDDRHHMPSA-N 2 1 256.394 -0.278 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000251386435 352374952 /nfs/dbraw/zinc/37/49/52/352374952.db2.gz QPJRDUBVFDGROF-NEPJUHHUSA-N 2 1 255.362 -0.190 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1C[C@H](O)C[NH2+]1 ZINC000252408124 352375970 /nfs/dbraw/zinc/37/59/70/352375970.db2.gz IKENJHYZPILXDX-IRCOFANPSA-N 2 1 253.346 -0.548 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261627152 352392095 /nfs/dbraw/zinc/39/20/95/352392095.db2.gz AUHPLZZUWPFKJB-AWEZNQCLSA-N 2 1 282.388 -0.652 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261627152 352392097 /nfs/dbraw/zinc/39/20/97/352392097.db2.gz AUHPLZZUWPFKJB-AWEZNQCLSA-N 2 1 282.388 -0.652 20 0 CBADMP COCC[C@@]1(C(=O)N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000261708667 352394074 /nfs/dbraw/zinc/39/40/74/352394074.db2.gz UXWGESHFKRVGBH-ZDUSSCGKSA-N 2 1 255.362 -0.223 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261789488 352396492 /nfs/dbraw/zinc/39/64/92/352396492.db2.gz UTTFZSXSXCYDRO-WFASDCNBSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261789488 352396495 /nfs/dbraw/zinc/39/64/95/352396495.db2.gz UTTFZSXSXCYDRO-WFASDCNBSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261920276 352401067 /nfs/dbraw/zinc/40/10/67/352401067.db2.gz YPEZCFAIORYEFU-PWSUYJOCSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261920276 352401070 /nfs/dbraw/zinc/40/10/70/352401070.db2.gz YPEZCFAIORYEFU-PWSUYJOCSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@H]1C[N@H+](C2CCN(C(=O)C3C[NH2+]C3)CC2)CCO1 ZINC000262207188 352410023 /nfs/dbraw/zinc/41/00/23/352410023.db2.gz IEIHGEFRUAFZQJ-NSHDSACASA-N 2 1 267.373 -0.083 20 0 CBADMP O=C(C[N@@H+]1CCCN(C(=O)C2C[NH2+]C2)CC1)N1CCCC1 ZINC000262250720 352412549 /nfs/dbraw/zinc/41/25/49/352412549.db2.gz PNMYGPLOXMRGIO-UHFFFAOYSA-N 2 1 294.399 -0.638 20 0 CBADMP O=C(C[N@H+]1CCCN(C(=O)C2C[NH2+]C2)CC1)N1CCCC1 ZINC000262250720 352412551 /nfs/dbraw/zinc/41/25/51/352412551.db2.gz PNMYGPLOXMRGIO-UHFFFAOYSA-N 2 1 294.399 -0.638 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262252707 352412639 /nfs/dbraw/zinc/41/26/39/352412639.db2.gz WZNMXPKQVUWBJF-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CC[C@H]1CN(C(=O)C2C[NH2+]C2)CC[N@H+]1CCOC ZINC000262271439 352413660 /nfs/dbraw/zinc/41/36/60/352413660.db2.gz TWZNSTVUFHTTNB-LBPRGKRZSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000262335004 352416318 /nfs/dbraw/zinc/41/63/18/352416318.db2.gz BPNGNSAMYUOINB-JTQLQIEISA-N 2 1 256.350 -0.948 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262333614 352416509 /nfs/dbraw/zinc/41/65/09/352416509.db2.gz FGZUWXUUKMYBHF-FRRDWIJNSA-N 2 1 269.389 -0.197 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000262417712 352421663 /nfs/dbraw/zinc/42/16/63/352421663.db2.gz RIXNQUWPLSHAEU-STQMWFEESA-N 2 1 285.388 -0.408 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000262637335 352429537 /nfs/dbraw/zinc/42/95/37/352429537.db2.gz ILRUQAYUVUWIGJ-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@H](C)[C@H]2C)C1 ZINC000262727277 352431396 /nfs/dbraw/zinc/43/13/96/352431396.db2.gz AOUGLOOYUAXCLK-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@H](C)[C@H]2C)C1 ZINC000262727277 352431398 /nfs/dbraw/zinc/43/13/98/352431398.db2.gz AOUGLOOYUAXCLK-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000262804125 352434892 /nfs/dbraw/zinc/43/48/92/352434892.db2.gz RPXDHICPYKGUCA-STQMWFEESA-N 2 1 287.404 -0.177 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000262893906 352435690 /nfs/dbraw/zinc/43/56/90/352435690.db2.gz OVXPVWQAHQIBBX-QWHCGFSZSA-N 2 1 287.404 -0.177 20 0 CBADMP O=C(CC[N@H+]1CCC[C@]2(CNC(=O)C2)C1)N1CC[NH2+]CC1 ZINC000262124389 352406912 /nfs/dbraw/zinc/40/69/12/352406912.db2.gz NNMKNYFPTOJUCW-HNNXBMFYSA-N 2 1 294.399 -0.590 20 0 CBADMP O=C(CC[N@H+]1CCC[C@@]2(CNC(=O)C2)C1)N1CC[NH2+]CC1 ZINC000262124391 352407287 /nfs/dbraw/zinc/40/72/87/352407287.db2.gz NNMKNYFPTOJUCW-OAHLLOKOSA-N 2 1 294.399 -0.590 20 0 CBADMP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CC(N)=O)c1 ZINC000269718363 352479463 /nfs/dbraw/zinc/47/94/63/352479463.db2.gz PLMDVMZJDBZOPV-ZDUSSCGKSA-N 2 1 292.383 -0.043 20 0 CBADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CC(N)=O)c1 ZINC000269718363 352479466 /nfs/dbraw/zinc/47/94/66/352479466.db2.gz PLMDVMZJDBZOPV-ZDUSSCGKSA-N 2 1 292.383 -0.043 20 0 CBADMP C[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)[N@H+](C)Cc1ccccc1 ZINC000269742672 352480474 /nfs/dbraw/zinc/48/04/74/352480474.db2.gz WFIWKKPANGTRSS-DGCLKSJQSA-N 2 1 292.383 -0.174 20 0 CBADMP C[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)[N@@H+](C)Cc1ccccc1 ZINC000269742672 352480476 /nfs/dbraw/zinc/48/04/76/352480476.db2.gz WFIWKKPANGTRSS-DGCLKSJQSA-N 2 1 292.383 -0.174 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]([NH3+])CC(N)=O)Cc1ccccc1 ZINC000269739369 352480541 /nfs/dbraw/zinc/48/05/41/352480541.db2.gz VBFALDQENMFXDW-GFCCVEGCSA-N 2 1 278.356 -0.563 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]([NH3+])CC(N)=O)Cc1ccccc1 ZINC000269739369 352480542 /nfs/dbraw/zinc/48/05/42/352480542.db2.gz VBFALDQENMFXDW-GFCCVEGCSA-N 2 1 278.356 -0.563 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000269926320 352483612 /nfs/dbraw/zinc/48/36/12/352483612.db2.gz STQHOVUEWSDAME-ZDUSSCGKSA-N 2 1 283.376 -0.197 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000271116811 352508968 /nfs/dbraw/zinc/50/89/68/352508968.db2.gz FTSPSYOZGCTDNF-ZDUSSCGKSA-N 2 1 295.387 -0.203 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300420243 352733927 /nfs/dbraw/zinc/73/39/27/352733927.db2.gz AKOMDQKGKXLJPM-MNOVXSKESA-N 2 1 261.391 -0.248 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300420243 352733933 /nfs/dbraw/zinc/73/39/33/352733933.db2.gz AKOMDQKGKXLJPM-MNOVXSKESA-N 2 1 261.391 -0.248 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000300698105 352734493 /nfs/dbraw/zinc/73/44/93/352734493.db2.gz ULQBURJLSDKKHO-IJLUTSLNSA-N 2 1 255.362 -0.097 20 0 CBADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000302410112 352740264 /nfs/dbraw/zinc/74/02/64/352740264.db2.gz PRXSUEZGDMCEKK-SECBINFHSA-N 2 1 260.338 -0.872 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000302410114 352740315 /nfs/dbraw/zinc/74/03/15/352740315.db2.gz PRXSUEZGDMCEKK-VIFPVBQESA-N 2 1 260.338 -0.872 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[NH+](CCCCO)CC1 ZINC000303407280 352745488 /nfs/dbraw/zinc/74/54/88/352745488.db2.gz SBRAPAACSPMXOY-UHFFFAOYSA-N 2 1 269.389 -0.001 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000303994161 352745505 /nfs/dbraw/zinc/74/55/05/352745505.db2.gz OJRDEISHEQADGA-GFCCVEGCSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000303994161 352745507 /nfs/dbraw/zinc/74/55/07/352745507.db2.gz OJRDEISHEQADGA-GFCCVEGCSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(CC[N@@H+](C)CC1(CO)COC1)C1CC[NH+](C)CC1 ZINC000305617908 352748865 /nfs/dbraw/zinc/74/88/65/352748865.db2.gz FMTYDGIFNWBNJO-UHFFFAOYSA-N 2 1 285.432 -0.047 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@]2(CC[NH+](C)C2)C1 ZINC000312734051 352776099 /nfs/dbraw/zinc/77/60/99/352776099.db2.gz TUJWTDRZRYZOOB-GJZGRUSLSA-N 2 1 285.432 -0.047 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000312734051 352776101 /nfs/dbraw/zinc/77/61/01/352776101.db2.gz TUJWTDRZRYZOOB-GJZGRUSLSA-N 2 1 285.432 -0.047 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000312734051 352776103 /nfs/dbraw/zinc/77/61/03/352776103.db2.gz TUJWTDRZRYZOOB-GJZGRUSLSA-N 2 1 285.432 -0.047 20 0 CBADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000310168021 352758011 /nfs/dbraw/zinc/75/80/11/352758011.db2.gz SHASFJHRMYKCOS-GHMZBOCLSA-N 2 1 263.407 -0.192 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000310168021 352758014 /nfs/dbraw/zinc/75/80/14/352758014.db2.gz SHASFJHRMYKCOS-GHMZBOCLSA-N 2 1 263.407 -0.192 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCCN(C(C)=O)CC1 ZINC000311037499 352764944 /nfs/dbraw/zinc/76/49/44/352764944.db2.gz OJXXMLBSPLUYAP-ZDUSSCGKSA-N 2 1 257.378 -0.147 20 0 CBADMP CO[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H]1OC ZINC000311052823 352764976 /nfs/dbraw/zinc/76/49/76/352764976.db2.gz ILYRPERWAZCTIH-UPJWGTAASA-N 2 1 258.362 -0.213 20 0 CBADMP CCOC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000311182459 352766928 /nfs/dbraw/zinc/76/69/28/352766928.db2.gz ZGJSIQJQRPYZLT-CHWSQXEVSA-N 2 1 260.378 -0.180 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000311648862 352769205 /nfs/dbraw/zinc/76/92/05/352769205.db2.gz DKZIRXVEPCZDAT-LBPRGKRZSA-N 2 1 265.361 -0.261 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000331023637 352868137 /nfs/dbraw/zinc/86/81/37/352868137.db2.gz UKDVDWUAFZYMGC-KBPBESRZSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000331023637 352868140 /nfs/dbraw/zinc/86/81/40/352868140.db2.gz UKDVDWUAFZYMGC-KBPBESRZSA-N 2 1 299.415 -0.597 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[NH+]2C[C@@H](OC)[C@H](OC)C2)CC1 ZINC000331103293 352878348 /nfs/dbraw/zinc/87/83/48/352878348.db2.gz HFZAXBBAXZQZMF-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[N@H+]1C1CC1 ZINC000331388202 352910954 /nfs/dbraw/zinc/91/09/54/352910954.db2.gz LOWDFFROQGDGNG-IJLUTSLNSA-N 2 1 294.399 -0.452 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000331391818 352911106 /nfs/dbraw/zinc/91/11/06/352911106.db2.gz LYCPAPIEEKLZGP-MNOVXSKESA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000331411177 352913044 /nfs/dbraw/zinc/91/30/44/352913044.db2.gz RMJBHYPPFAPQHO-GMXVVIOVSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C[C@@H]1[NH3+] ZINC000332104938 352935437 /nfs/dbraw/zinc/93/54/37/352935437.db2.gz AKPJOCIHYDKQOF-AGIUHOORSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C[C@@H]1[NH3+] ZINC000332104938 352935442 /nfs/dbraw/zinc/93/54/42/352935442.db2.gz AKPJOCIHYDKQOF-AGIUHOORSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1[NH3+] ZINC000331681928 352926610 /nfs/dbraw/zinc/92/66/10/352926610.db2.gz UBJKOEFZJPXYJL-FDYHWXHSSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332691044 352976503 /nfs/dbraw/zinc/97/65/03/352976503.db2.gz QMMYUEVWWFKVDS-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332691044 352976506 /nfs/dbraw/zinc/97/65/06/352976506.db2.gz QMMYUEVWWFKVDS-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP [NH3+]CCCNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332689311 352976937 /nfs/dbraw/zinc/97/69/37/352976937.db2.gz PUPRXLNTGHFWBS-NSHDSACASA-N 2 1 268.361 -0.852 20 0 CBADMP [NH3+]CCCNC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332689311 352976938 /nfs/dbraw/zinc/97/69/38/352976938.db2.gz PUPRXLNTGHFWBS-NSHDSACASA-N 2 1 268.361 -0.852 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332729026 352980908 /nfs/dbraw/zinc/98/09/08/352980908.db2.gz QQWNAQODWJXDPP-LLVKDONJSA-N 2 1 268.361 -0.981 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332729026 352980911 /nfs/dbraw/zinc/98/09/11/352980911.db2.gz QQWNAQODWJXDPP-LLVKDONJSA-N 2 1 268.361 -0.981 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332736334 352981266 /nfs/dbraw/zinc/98/12/66/352981266.db2.gz VKKKELPEMIIELE-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332736334 352981269 /nfs/dbraw/zinc/98/12/69/352981269.db2.gz VKKKELPEMIIELE-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000332202557 352939219 /nfs/dbraw/zinc/93/92/19/352939219.db2.gz XTOOFBFXEYLCCF-QWHCGFSZSA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000332202557 352939222 /nfs/dbraw/zinc/93/92/22/352939222.db2.gz XTOOFBFXEYLCCF-QWHCGFSZSA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332184615 352939594 /nfs/dbraw/zinc/93/95/94/352939594.db2.gz AMATUQYZNLVPST-CHWSQXEVSA-N 2 1 294.399 -0.497 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332195747 352939605 /nfs/dbraw/zinc/93/96/05/352939605.db2.gz XUHPOEYRHKFOMC-NEPJUHHUSA-N 2 1 280.372 -0.839 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332195747 352939608 /nfs/dbraw/zinc/93/96/08/352939608.db2.gz XUHPOEYRHKFOMC-NEPJUHHUSA-N 2 1 280.372 -0.839 20 0 CBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000332229510 352940226 /nfs/dbraw/zinc/94/02/26/352940226.db2.gz LSTXPURSNWXAEZ-JHJVBQTASA-N 2 1 294.399 -0.369 20 0 CBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000332229511 352940440 /nfs/dbraw/zinc/94/04/40/352940440.db2.gz LSTXPURSNWXAEZ-UPJWGTAASA-N 2 1 294.399 -0.369 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1[NH3+] ZINC000332218787 352940512 /nfs/dbraw/zinc/94/05/12/352940512.db2.gz IOHPBSNGTREBFQ-UTUOFQBUSA-N 2 1 280.372 -0.901 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000332247871 352941348 /nfs/dbraw/zinc/94/13/48/352941348.db2.gz AZYYSTDPVNIRRO-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000332259178 352941473 /nfs/dbraw/zinc/94/14/73/352941473.db2.gz ALCKEIIBPHADGL-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC[NH2+]1 ZINC000332306602 352943120 /nfs/dbraw/zinc/94/31/20/352943120.db2.gz WKPIXBINSAVPQP-FRRDWIJNSA-N 2 1 294.399 -0.641 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000332328288 352944950 /nfs/dbraw/zinc/94/49/50/352944950.db2.gz NJPQSUFYGMMFLE-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000332326105 352945013 /nfs/dbraw/zinc/94/50/13/352945013.db2.gz LICNJGASIZREKO-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000332372244 352947310 /nfs/dbraw/zinc/94/73/10/352947310.db2.gz YMLKGRDGJXWHNZ-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCN(C(N)=O)CC2)CC1 ZINC000332386738 352948073 /nfs/dbraw/zinc/94/80/73/352948073.db2.gz WBZGCBLEALFZDL-UHFFFAOYSA-N 2 1 297.403 -0.763 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCN(C(N)=O)CC2)CC1 ZINC000332386738 352948075 /nfs/dbraw/zinc/94/80/75/352948075.db2.gz WBZGCBLEALFZDL-UHFFFAOYSA-N 2 1 297.403 -0.763 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC1([NH3+])CCC1 ZINC000332454054 352953266 /nfs/dbraw/zinc/95/32/66/352953266.db2.gz HABDHFXHAJJJHW-NSHDSACASA-N 2 1 270.377 -0.424 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC1([NH3+])CCC1 ZINC000332454054 352953271 /nfs/dbraw/zinc/95/32/71/352953271.db2.gz HABDHFXHAJJJHW-NSHDSACASA-N 2 1 270.377 -0.424 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332570444 352966695 /nfs/dbraw/zinc/96/66/95/352966695.db2.gz CMFFHOOEMIJCTE-YNEHKIRRSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC[NH2+]1 ZINC000332592168 352968594 /nfs/dbraw/zinc/96/85/94/352968594.db2.gz AUACFHPYRCNYME-NEPJUHHUSA-N 2 1 280.372 -0.887 20 0 CBADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)C[C@H](C)[N@@H+]1CCO ZINC000333830976 353012019 /nfs/dbraw/zinc/01/20/19/353012019.db2.gz MNPFHFINRHXXPP-XQQFMLRXSA-N 2 1 284.404 -0.165 20 0 CBADMP CN(C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1C[NH2+]C[C@@H]1O ZINC000333904440 353013615 /nfs/dbraw/zinc/01/36/15/353013615.db2.gz CGWSKOVXLTUKDX-RNJOBUHISA-N 2 1 282.388 -0.413 20 0 CBADMP CC(C)[C@@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH+]1CCOCC1 ZINC000333906781 353013759 /nfs/dbraw/zinc/01/37/59/353013759.db2.gz KBERIKWCJMLGME-RQJABVFESA-N 2 1 296.415 -0.140 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000336823713 353060327 /nfs/dbraw/zinc/06/03/27/353060327.db2.gz QXXVECNOCQFJCV-CABCVRRESA-N 2 1 285.432 -0.047 20 0 CBADMP C[NH+](C[C@H](O)CN1CCOCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000336823713 353060328 /nfs/dbraw/zinc/06/03/28/353060328.db2.gz QXXVECNOCQFJCV-CABCVRRESA-N 2 1 285.432 -0.047 20 0 CBADMP C[NH+](C[C@H](O)CN1CCOCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336823713 353060330 /nfs/dbraw/zinc/06/03/30/353060330.db2.gz QXXVECNOCQFJCV-CABCVRRESA-N 2 1 285.432 -0.047 20 0 CBADMP CC[C@@H](CO)[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336841979 353062997 /nfs/dbraw/zinc/06/29/97/353062997.db2.gz SYIPRLGMPPIRHZ-ZFWWWQNUSA-N 2 1 285.432 -0.170 20 0 CBADMP Cn1cc[nH+]c1N1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336848785 353063892 /nfs/dbraw/zinc/06/38/92/353063892.db2.gz NAPOJQZHJYWYTJ-CQSZACIVSA-N 2 1 293.415 -0.003 20 0 CBADMP Cn1cc[nH+]c1N1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336848785 353063893 /nfs/dbraw/zinc/06/38/93/353063893.db2.gz NAPOJQZHJYWYTJ-CQSZACIVSA-N 2 1 293.415 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000338231977 353089703 /nfs/dbraw/zinc/08/97/03/353089703.db2.gz CTBWZTCHICFGAN-LBPRGKRZSA-N 2 1 255.362 -0.393 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2CO)CC1 ZINC000338231977 353089706 /nfs/dbraw/zinc/08/97/06/353089706.db2.gz CTBWZTCHICFGAN-LBPRGKRZSA-N 2 1 255.362 -0.393 20 0 CBADMP C[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338282298 353092628 /nfs/dbraw/zinc/09/26/28/353092628.db2.gz WTMODKJZOIMODB-VXGBXAGGSA-N 2 1 255.362 -0.394 20 0 CBADMP C[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338282298 353092630 /nfs/dbraw/zinc/09/26/30/353092630.db2.gz WTMODKJZOIMODB-VXGBXAGGSA-N 2 1 255.362 -0.394 20 0 CBADMP Cn1cc([C@@H](CO)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000338292835 353093592 /nfs/dbraw/zinc/09/35/92/353093592.db2.gz RREODNFQDXKCEQ-CYBMUJFWSA-N 2 1 295.387 -0.793 20 0 CBADMP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000338287797 353093747 /nfs/dbraw/zinc/09/37/47/353093747.db2.gz WALIVBMZPXFKLR-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000338287797 353093751 /nfs/dbraw/zinc/09/37/51/353093751.db2.gz WALIVBMZPXFKLR-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP COC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000338380464 353099358 /nfs/dbraw/zinc/09/93/58/353099358.db2.gz ZCQQTJACNKMBBU-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+](C)C ZINC000338970811 353126614 /nfs/dbraw/zinc/12/66/14/353126614.db2.gz YOGNIQOAVAEKLO-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]([NH3+])CC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000340185250 353155001 /nfs/dbraw/zinc/15/50/01/353155001.db2.gz JTDXMVVMVCYYHJ-RYUDHWBXSA-N 2 1 256.394 -0.277 20 0 CBADMP C[C@H]([NH3+])CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000340185808 353155667 /nfs/dbraw/zinc/15/56/67/353155667.db2.gz PFWVVTDJLOILBX-WDEREUQCSA-N 2 1 270.377 -0.573 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000340207780 353156596 /nfs/dbraw/zinc/15/65/96/353156596.db2.gz WLWPRTYHKNAKKV-QWHCGFSZSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@H](C(=O)NC[C@H](C)C[NH+](C)C)N1CC[NH+](C)CC1 ZINC000341267232 353207364 /nfs/dbraw/zinc/20/73/64/353207364.db2.gz SLVNHTSRBWGFNH-QWHCGFSZSA-N 2 1 270.421 -0.064 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000341310671 353209401 /nfs/dbraw/zinc/20/94/01/353209401.db2.gz ZZXFREMTJYBPKX-KBPBESRZSA-N 2 1 298.431 -0.541 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000341310671 353209404 /nfs/dbraw/zinc/20/94/04/353209404.db2.gz ZZXFREMTJYBPKX-KBPBESRZSA-N 2 1 298.431 -0.541 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000342765445 353232236 /nfs/dbraw/zinc/23/22/36/353232236.db2.gz OJZPACZCIJZMMJ-UTUOFQBUSA-N 2 1 283.372 -0.038 20 0 CBADMP COC(=O)c1cn(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)nn1 ZINC000342807024 353233547 /nfs/dbraw/zinc/23/35/47/353233547.db2.gz VKQYIJAKCBMZLU-MNOVXSKESA-N 2 1 281.360 -0.006 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000342687580 353227318 /nfs/dbraw/zinc/22/73/18/353227318.db2.gz BKROSHQZWSXRSX-QWRGUYRKSA-N 2 1 271.361 -0.133 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000342690718 353228417 /nfs/dbraw/zinc/22/84/17/353228417.db2.gz GLLURNZGXKSAGD-DGCLKSJQSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000342704042 353228950 /nfs/dbraw/zinc/22/89/50/353228950.db2.gz KYVHMKCTRTXKOM-XQQFMLRXSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000342704041 353229246 /nfs/dbraw/zinc/22/92/46/353229246.db2.gz KYVHMKCTRTXKOM-RWMBFGLXSA-N 2 1 296.415 -0.170 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000342723825 353229746 /nfs/dbraw/zinc/22/97/46/353229746.db2.gz BESOHCPVSGJVEY-STQMWFEESA-N 2 1 296.415 -0.310 20 0 CBADMP CN(C(=O)[C@H]1C[NH+]2CCN1CCC2)[C@H]1CCC[N@@H+](C)C1 ZINC000343557771 353278717 /nfs/dbraw/zinc/27/87/17/353278717.db2.gz ZZVRFRYRCYFXBS-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C(=O)[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1CCC[NH+](C)C1 ZINC000343557771 353278721 /nfs/dbraw/zinc/27/87/21/353278721.db2.gz ZZVRFRYRCYFXBS-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C(=O)[C@H]1C[N@H+]2CCN1CCC2)[C@H]1CCC[NH+](C)C1 ZINC000343557771 353278722 /nfs/dbraw/zinc/27/87/22/353278722.db2.gz ZZVRFRYRCYFXBS-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP O=C(NCCNc1cc[nH+]cc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343199418 353259258 /nfs/dbraw/zinc/25/92/58/353259258.db2.gz BBTHONJFQQLGRM-AWEZNQCLSA-N 2 1 289.383 -0.579 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343316631 353266718 /nfs/dbraw/zinc/26/67/18/353266718.db2.gz FUIGOOYDJMHJCX-CYBMUJFWSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343316631 353266720 /nfs/dbraw/zinc/26/67/20/353266720.db2.gz FUIGOOYDJMHJCX-CYBMUJFWSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343316631 353266722 /nfs/dbraw/zinc/26/67/22/353266722.db2.gz FUIGOOYDJMHJCX-CYBMUJFWSA-N 2 1 268.405 -0.167 20 0 CBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343324075 353268117 /nfs/dbraw/zinc/26/81/17/353268117.db2.gz PMJCIDPVVBPRDR-JSGCOSHPSA-N 2 1 278.400 -0.271 20 0 CBADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343324075 353268121 /nfs/dbraw/zinc/26/81/21/353268121.db2.gz PMJCIDPVVBPRDR-JSGCOSHPSA-N 2 1 278.400 -0.271 20 0 CBADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343324075 353268123 /nfs/dbraw/zinc/26/81/23/353268123.db2.gz PMJCIDPVVBPRDR-JSGCOSHPSA-N 2 1 278.400 -0.271 20 0 CBADMP O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186650895 137654079 /nfs/dbraw/zinc/65/40/79/137654079.db2.gz OAFSKGFXPYYWQK-OLZOCXBDSA-N 2 1 294.399 -0.591 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000343584722 353280463 /nfs/dbraw/zinc/28/04/63/353280463.db2.gz BRCOWXVJNTUTEV-AAEUAGOBSA-N 2 1 285.388 -0.280 20 0 CBADMP CS[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1[NH+](C)C ZINC000344734463 353306242 /nfs/dbraw/zinc/30/62/42/353306242.db2.gz WJBXGSHRLRQTTR-QJPTWQEYSA-N 2 1 287.429 -0.179 20 0 CBADMP CS[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1[NH+](C)C ZINC000344734463 353306243 /nfs/dbraw/zinc/30/62/43/353306243.db2.gz WJBXGSHRLRQTTR-QJPTWQEYSA-N 2 1 287.429 -0.179 20 0 CBADMP C[NH+]1CCC(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000345529778 353334936 /nfs/dbraw/zinc/33/49/36/353334936.db2.gz WAAFKCQIWVCKHN-ZDUSSCGKSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000345305862 353321762 /nfs/dbraw/zinc/32/17/62/353321762.db2.gz DAKJPUCSLCUYQP-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000345305862 353321764 /nfs/dbraw/zinc/32/17/64/353321764.db2.gz DAKJPUCSLCUYQP-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)CCC[N@H+]1C ZINC000345332513 353324082 /nfs/dbraw/zinc/32/40/82/353324082.db2.gz YKNGZMKKTKHACS-HZSPNIEDSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CCC[NH+]1C ZINC000345332513 353324084 /nfs/dbraw/zinc/32/40/84/353324084.db2.gz YKNGZMKKTKHACS-HZSPNIEDSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CCC[NH+]1C ZINC000345332513 353324087 /nfs/dbraw/zinc/32/40/87/353324087.db2.gz YKNGZMKKTKHACS-HZSPNIEDSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000346227798 353367197 /nfs/dbraw/zinc/36/71/97/353367197.db2.gz QSMCKZONDSNIDT-VXGBXAGGSA-N 2 1 254.378 -0.557 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000346109947 353361954 /nfs/dbraw/zinc/36/19/54/353361954.db2.gz VCUIZARSEMGWJT-CHWSQXEVSA-N 2 1 268.405 -0.038 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000346364778 353373453 /nfs/dbraw/zinc/37/34/53/353373453.db2.gz GCLZYBRMOURTCV-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000346364778 353373457 /nfs/dbraw/zinc/37/34/57/353373457.db2.gz GCLZYBRMOURTCV-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000346364778 353373459 /nfs/dbraw/zinc/37/34/59/353373459.db2.gz GCLZYBRMOURTCV-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000346364778 353373461 /nfs/dbraw/zinc/37/34/61/353373461.db2.gz GCLZYBRMOURTCV-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000346536698 353382237 /nfs/dbraw/zinc/38/22/37/353382237.db2.gz TXOOOBMLRVRDBN-YPMHNXCESA-N 2 1 296.415 -0.395 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000348918980 353440353 /nfs/dbraw/zinc/44/03/53/353440353.db2.gz AHADXGUUMLMQNS-LBPRGKRZSA-N 2 1 256.394 -0.310 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000348918980 353440356 /nfs/dbraw/zinc/44/03/56/353440356.db2.gz AHADXGUUMLMQNS-LBPRGKRZSA-N 2 1 256.394 -0.310 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000348918980 353440357 /nfs/dbraw/zinc/44/03/57/353440357.db2.gz AHADXGUUMLMQNS-LBPRGKRZSA-N 2 1 256.394 -0.310 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CCOC2C[NH2+]C2)CC[N@H+]1C ZINC000348988509 353443216 /nfs/dbraw/zinc/44/32/16/353443216.db2.gz HXODRRVWEKSSTK-GHMZBOCLSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)CCOC1C[NH2+]C1 ZINC000349000975 353444239 /nfs/dbraw/zinc/44/42/39/353444239.db2.gz NOLUCDVWRUKYLO-LBPRGKRZSA-N 2 1 285.388 -0.408 20 0 CBADMP C[C@H](CNC(=O)CCOC1C[NH2+]C1)C[NH+]1CCOCC1 ZINC000349023236 353445045 /nfs/dbraw/zinc/44/50/45/353445045.db2.gz BTFMZJHLUANHBD-GFCCVEGCSA-N 2 1 285.388 -0.551 20 0 CBADMP O=C(CCOC1C[NH2+]C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000349047566 353446401 /nfs/dbraw/zinc/44/64/01/353446401.db2.gz HAWFEIUGRSGMKY-SNVBAGLBSA-N 2 1 253.346 -0.282 20 0 CBADMP O=C(CCOC1C[NH2+]C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000349047565 353446510 /nfs/dbraw/zinc/44/65/10/353446510.db2.gz HAWFEIUGRSGMKY-JTQLQIEISA-N 2 1 253.346 -0.282 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000261701931 137696593 /nfs/dbraw/zinc/69/65/93/137696593.db2.gz CRLFNCUDWLXOJR-QWRGUYRKSA-N 2 1 271.361 -0.181 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)NC(N)=O ZINC000348578628 353428888 /nfs/dbraw/zinc/42/88/88/353428888.db2.gz OPOPBDCOSSQCME-UHFFFAOYSA-N 2 1 285.392 -0.859 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000350046374 353470809 /nfs/dbraw/zinc/47/08/09/353470809.db2.gz CGHSQMCOHXSZBW-ZIAGYGMSSA-N 2 1 297.447 -0.032 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[NH+](C)CC1 ZINC000350047993 353471031 /nfs/dbraw/zinc/47/10/31/353471031.db2.gz HLKRIPBLKZJINB-CYBMUJFWSA-N 2 1 283.420 -0.421 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CCC[N@H+](C)CC1 ZINC000350047993 353471035 /nfs/dbraw/zinc/47/10/35/353471035.db2.gz HLKRIPBLKZJINB-CYBMUJFWSA-N 2 1 283.420 -0.421 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000350047993 353471037 /nfs/dbraw/zinc/47/10/37/353471037.db2.gz HLKRIPBLKZJINB-CYBMUJFWSA-N 2 1 283.420 -0.421 20 0 CBADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000350154976 353472885 /nfs/dbraw/zinc/47/28/85/353472885.db2.gz NCIWFHDNRFCZMD-NSHDSACASA-N 2 1 286.376 -0.386 20 0 CBADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000350154976 353472888 /nfs/dbraw/zinc/47/28/88/353472888.db2.gz NCIWFHDNRFCZMD-NSHDSACASA-N 2 1 286.376 -0.386 20 0 CBADMP C[C@H](CO)[N@H+]1CCCN(C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000351630070 353476493 /nfs/dbraw/zinc/47/64/93/353476493.db2.gz QVCDQKZTOCZTPT-HIFRSBDPSA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@H](CO)[NH+]1CCCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351630070 353476496 /nfs/dbraw/zinc/47/64/96/353476496.db2.gz QVCDQKZTOCZTPT-HIFRSBDPSA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@H](CO)[NH+]1CCCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351630070 353476498 /nfs/dbraw/zinc/47/64/98/353476498.db2.gz QVCDQKZTOCZTPT-HIFRSBDPSA-N 2 1 285.432 -0.170 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH+](CCO)C1CCOCC1)C1CC1 ZINC000351633096 353476804 /nfs/dbraw/zinc/47/68/04/353476804.db2.gz YJFBQYCYFBJQPQ-CQSZACIVSA-N 2 1 272.389 -0.085 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH+](CCO)C1CCOCC1)C1CC1 ZINC000351633096 353476808 /nfs/dbraw/zinc/47/68/08/353476808.db2.gz YJFBQYCYFBJQPQ-CQSZACIVSA-N 2 1 272.389 -0.085 20 0 CBADMP C[NH+](C[C@@H](O)C[N@H+](CCO)C1CCOCC1)C1CC1 ZINC000351633096 353476810 /nfs/dbraw/zinc/47/68/10/353476810.db2.gz YJFBQYCYFBJQPQ-CQSZACIVSA-N 2 1 272.389 -0.085 20 0 CBADMP C[NH+](C[C@@H](O)C[N@@H+](CCO)C1CCOCC1)C1CC1 ZINC000351633096 353476813 /nfs/dbraw/zinc/47/68/13/353476813.db2.gz YJFBQYCYFBJQPQ-CQSZACIVSA-N 2 1 272.389 -0.085 20 0 CBADMP CC[NH+](CC)CCS(=O)(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000352314915 353479981 /nfs/dbraw/zinc/47/99/81/353479981.db2.gz SLOJBEIBVLRBAL-NSHDSACASA-N 2 1 263.407 -0.048 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000353090566 353521292 /nfs/dbraw/zinc/52/12/92/353521292.db2.gz SQFQPNZRNSPUML-NWDGAFQWSA-N 2 1 271.409 -0.519 20 0 CBADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353216777 353528238 /nfs/dbraw/zinc/52/82/38/353528238.db2.gz WOXNVCWASJESPV-JSGCOSHPSA-N 2 1 298.431 -0.018 20 0 CBADMP CCC[C@H]([NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353212251 353528563 /nfs/dbraw/zinc/52/85/63/353528563.db2.gz KSTQDZFGSVTRGJ-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000354209490 353549124 /nfs/dbraw/zinc/54/91/24/353549124.db2.gz AMJKOQBRFOCBQE-GFCCVEGCSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000354209490 353549129 /nfs/dbraw/zinc/54/91/29/353549129.db2.gz AMJKOQBRFOCBQE-GFCCVEGCSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354669545 353577091 /nfs/dbraw/zinc/57/70/91/353577091.db2.gz IIAMQWRLEQJDOK-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@@H+](C)CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354710502 353579459 /nfs/dbraw/zinc/57/94/59/353579459.db2.gz OGVSWROBXIDVBR-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357065290 353600952 /nfs/dbraw/zinc/60/09/52/353600952.db2.gz ADNGHOWAZCOAPA-QWRGUYRKSA-N 2 1 261.391 -0.533 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357065290 353600954 /nfs/dbraw/zinc/60/09/54/353600954.db2.gz ADNGHOWAZCOAPA-QWRGUYRKSA-N 2 1 261.391 -0.533 20 0 CBADMP C[NH2+]CCC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000357178950 353601627 /nfs/dbraw/zinc/60/16/27/353601627.db2.gz SNHYOHDUXJSRAT-SNVBAGLBSA-N 2 1 256.350 -0.948 20 0 CBADMP NC(=O)c1ccc(N2CC[NH+](CCOCC[NH3+])CC2)nc1 ZINC000357078144 353601709 /nfs/dbraw/zinc/60/17/09/353601709.db2.gz BFMXDPRMOLSCBT-UHFFFAOYSA-N 2 1 293.371 -0.722 20 0 CBADMP C[C@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000358501789 353648240 /nfs/dbraw/zinc/64/82/40/353648240.db2.gz OGXKEABBWNIDBR-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357906559 353613866 /nfs/dbraw/zinc/61/38/66/353613866.db2.gz DNDICFBZFFXIHA-KGLIPLIRSA-N 2 1 298.431 -0.901 20 0 CBADMP C[N@H+](CCCO)C1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000360304134 353657061 /nfs/dbraw/zinc/65/70/61/353657061.db2.gz KQPBTHGDLLPGFT-UHFFFAOYSA-N 2 1 286.376 -0.650 20 0 CBADMP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000360304134 353657065 /nfs/dbraw/zinc/65/70/65/353657065.db2.gz KQPBTHGDLLPGFT-UHFFFAOYSA-N 2 1 286.376 -0.650 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000364997506 353673063 /nfs/dbraw/zinc/67/30/63/353673063.db2.gz XRQXTOJSFOUVLV-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP CC(C)([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372098182 353710397 /nfs/dbraw/zinc/71/03/97/353710397.db2.gz HIUFELJLEDFHEB-QWRGUYRKSA-N 2 1 255.362 -0.219 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000372103109 353710721 /nfs/dbraw/zinc/71/07/21/353710721.db2.gz RWYNKVVSLXNKHB-LBPRGKRZSA-N 2 1 287.429 -0.128 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372399635 353716215 /nfs/dbraw/zinc/71/62/15/353716215.db2.gz QQHFCXXCKJCPEO-KGLIPLIRSA-N 2 1 298.431 -0.508 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000372424562 353716985 /nfs/dbraw/zinc/71/69/85/353716985.db2.gz DZUNEDUUDFOFFQ-GXTWGEPZSA-N 2 1 267.373 -0.223 20 0 CBADMP C[N@@H+]1CC[C@@H]2CCN(CC(=O)N3CC[NH+](C)CC3)C[C@H]21 ZINC000375030497 353753174 /nfs/dbraw/zinc/75/31/74/353753174.db2.gz KZPJONBGKWHFBE-ZIAGYGMSSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(CC(=O)N3CC[NH+](C)CC3)C[C@H]21 ZINC000375030497 353753176 /nfs/dbraw/zinc/75/31/76/353753176.db2.gz KZPJONBGKWHFBE-ZIAGYGMSSA-N 2 1 280.416 -0.214 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000375833457 353768096 /nfs/dbraw/zinc/76/80/96/353768096.db2.gz ICYKSWDUGIZZHD-STQMWFEESA-N 2 1 268.405 -0.180 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000375833456 353768575 /nfs/dbraw/zinc/76/85/75/353768575.db2.gz ICYKSWDUGIZZHD-QWHCGFSZSA-N 2 1 268.405 -0.180 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@@H]3CCOC(=O)[C@H]32)CC1 ZINC000375888823 353768917 /nfs/dbraw/zinc/76/89/17/353768917.db2.gz IBNSBNOZCPOOEN-OCCSQVGLSA-N 2 1 295.383 -0.212 20 0 CBADMP CN1CCN(C(=O)CCN2CC[C@@H]3CCOC(=O)[C@H]32)CC1 ZINC000375888823 353768920 /nfs/dbraw/zinc/76/89/20/353768920.db2.gz IBNSBNOZCPOOEN-OCCSQVGLSA-N 2 1 295.383 -0.212 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C[C@H]1C ZINC000376243757 353773336 /nfs/dbraw/zinc/77/33/36/353773336.db2.gz GUNFJXIMJSLEPT-UKTARXLSSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C[C@H]1C ZINC000376243757 353773339 /nfs/dbraw/zinc/77/33/39/353773339.db2.gz GUNFJXIMJSLEPT-UKTARXLSSA-N 2 1 281.400 -0.101 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000376254760 353773494 /nfs/dbraw/zinc/77/34/94/353773494.db2.gz SFXBORAVTZPFSJ-GARJFASQSA-N 2 1 259.325 -0.477 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378230636 353780184 /nfs/dbraw/zinc/78/01/84/353780184.db2.gz QAIPHTLLDDVTQJ-AGIUHOORSA-N 2 1 267.373 -0.035 20 0 CBADMP CO[C@]1(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000381400639 353784151 /nfs/dbraw/zinc/78/41/51/353784151.db2.gz WLMKXOKMXBVQPS-OLZOCXBDSA-N 2 1 258.362 -0.163 20 0 CBADMP CO[C@]1(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000381400639 353784153 /nfs/dbraw/zinc/78/41/53/353784153.db2.gz WLMKXOKMXBVQPS-OLZOCXBDSA-N 2 1 258.362 -0.163 20 0 CBADMP O=S(=O)(C[C@@H]1CNCCO1)N1CCN(C2CC2)CC1 ZINC000382339056 353784215 /nfs/dbraw/zinc/78/42/15/353784215.db2.gz XQMYAVVPJCHCCK-LBPRGKRZSA-N 2 1 289.401 -0.915 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@@H](C)[NH3+] ZINC000399553963 353797547 /nfs/dbraw/zinc/79/75/47/353797547.db2.gz DHOSCXWFYDIVCR-UPJWGTAASA-N 2 1 270.421 -0.032 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402929996 353804808 /nfs/dbraw/zinc/80/48/08/353804808.db2.gz KFKVYPOZMDRPGR-NRUUGDAUSA-N 2 1 268.361 -0.109 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402929996 353804811 /nfs/dbraw/zinc/80/48/11/353804811.db2.gz KFKVYPOZMDRPGR-NRUUGDAUSA-N 2 1 268.361 -0.109 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404360823 353806258 /nfs/dbraw/zinc/80/62/58/353806258.db2.gz NVFFVCZVLBLRDV-NXEZZACHSA-N 2 1 256.350 -0.109 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404360823 353806263 /nfs/dbraw/zinc/80/62/63/353806263.db2.gz NVFFVCZVLBLRDV-NXEZZACHSA-N 2 1 256.350 -0.109 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000407983364 353817060 /nfs/dbraw/zinc/81/70/60/353817060.db2.gz PPQDLJAZFWCKAI-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000407983364 353817061 /nfs/dbraw/zinc/81/70/61/353817061.db2.gz PPQDLJAZFWCKAI-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC[C@@H](O)C[NH+](C)C1CC1 ZINC000388525297 353789644 /nfs/dbraw/zinc/78/96/44/353789644.db2.gz VMQJDUSPRGHYBQ-ZIAGYGMSSA-N 2 1 270.421 -0.723 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000388525297 353789648 /nfs/dbraw/zinc/78/96/48/353789648.db2.gz VMQJDUSPRGHYBQ-ZIAGYGMSSA-N 2 1 270.421 -0.723 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000388525297 353789653 /nfs/dbraw/zinc/78/96/53/353789653.db2.gz VMQJDUSPRGHYBQ-ZIAGYGMSSA-N 2 1 270.421 -0.723 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000388254361 353789909 /nfs/dbraw/zinc/78/99/09/353789909.db2.gz JDTLRCKFMOQHOB-ZDUSSCGKSA-N 2 1 273.421 -0.313 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)C[C@@H]1CCC[NH+]1C ZINC000388891488 353790446 /nfs/dbraw/zinc/79/04/46/353790446.db2.gz FWFWMVPSIDCIQY-UONOGXRCSA-N 2 1 273.421 -0.049 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000388891488 353790449 /nfs/dbraw/zinc/79/04/49/353790449.db2.gz FWFWMVPSIDCIQY-UONOGXRCSA-N 2 1 273.421 -0.049 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN(C)C[C@@H]1CCC[N@H+]1C ZINC000388891488 353790451 /nfs/dbraw/zinc/79/04/51/353790451.db2.gz FWFWMVPSIDCIQY-UONOGXRCSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000412848205 353949464 /nfs/dbraw/zinc/94/94/64/353949464.db2.gz SDZCLPRYAFUDST-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000412848205 353949468 /nfs/dbraw/zinc/94/94/68/353949468.db2.gz SDZCLPRYAFUDST-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000412848205 353949470 /nfs/dbraw/zinc/94/94/70/353949470.db2.gz SDZCLPRYAFUDST-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000412848205 353949474 /nfs/dbraw/zinc/94/94/74/353949474.db2.gz SDZCLPRYAFUDST-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)NCCC[NH+]1CCOCC1 ZINC000416801355 353973188 /nfs/dbraw/zinc/97/31/88/353973188.db2.gz SMZIIFPIJCXMLF-GFCCVEGCSA-N 2 1 272.393 -0.009 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH2+]CC2)C1 ZINC000416865741 353973457 /nfs/dbraw/zinc/97/34/57/353973457.db2.gz JQPRRRKZMWNPIF-CYBMUJFWSA-N 2 1 284.404 -0.042 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)CC[NH3+])C1 ZINC000416861438 353973908 /nfs/dbraw/zinc/97/39/08/353973908.db2.gz DUNUJDWVDHDZAR-LBPRGKRZSA-N 2 1 272.393 -0.057 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000418411176 353996995 /nfs/dbraw/zinc/99/69/95/353996995.db2.gz PZXSZYRBXNEPIH-NWDGAFQWSA-N 2 1 272.393 -0.322 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000418411176 353996998 /nfs/dbraw/zinc/99/69/98/353996998.db2.gz PZXSZYRBXNEPIH-NWDGAFQWSA-N 2 1 272.393 -0.322 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417442908 353977564 /nfs/dbraw/zinc/97/75/64/353977564.db2.gz WONWVULAMULHEQ-QWHCGFSZSA-N 2 1 284.404 -0.185 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000417442174 353977633 /nfs/dbraw/zinc/97/76/33/353977633.db2.gz SPKYERWKECOAFD-RYUDHWBXSA-N 2 1 272.393 -0.138 20 0 CBADMP CC[N@@H+](CCNC(=O)NC[C@@H]1C[NH2+]CCN1C)C(C)C ZINC000417464299 353977974 /nfs/dbraw/zinc/97/79/74/353977974.db2.gz QENPUDMOFPKKPN-ZDUSSCGKSA-N 2 1 285.436 -0.081 20 0 CBADMP CC[N@@H+](CCNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)C(C)C ZINC000417463875 353978060 /nfs/dbraw/zinc/97/80/60/353978060.db2.gz PZRIGLHUQPWZRR-RYUDHWBXSA-N 2 1 272.393 -0.309 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)NCCN1CC[NH2+]CC1 ZINC000417606667 353980044 /nfs/dbraw/zinc/98/00/44/353980044.db2.gz DXWAWBJBKFGZHL-UHFFFAOYSA-N 2 1 285.436 -0.077 20 0 CBADMP C[C@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)C[NH+]1CCOCC1 ZINC000417707648 353980989 /nfs/dbraw/zinc/98/09/89/353980989.db2.gz AZPCITQYISVPRY-DGCLKSJQSA-N 2 1 284.404 -0.009 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000417699777 353981029 /nfs/dbraw/zinc/98/10/29/353981029.db2.gz GDHBQJBCNMCEIM-SRVKXCTJSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH3+])[C@H](C)C1 ZINC000418423181 353997282 /nfs/dbraw/zinc/99/72/82/353997282.db2.gz FKHOWHZPXXWUMB-MNOVXSKESA-N 2 1 272.393 -0.180 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000417698946 353981336 /nfs/dbraw/zinc/98/13/36/353981336.db2.gz FJTARZOMMCDWDS-RYUDHWBXSA-N 2 1 270.377 -0.256 20 0 CBADMP C[C@H](CNC(=O)N[C@@H](C)CC[NH3+])C[NH+]1CCOCC1 ZINC000417736343 353981840 /nfs/dbraw/zinc/98/18/40/353981840.db2.gz WXLTYLDJVFLVRM-NEPJUHHUSA-N 2 1 272.393 -0.009 20 0 CBADMP C[NH2+]CCCNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000417732187 353982076 /nfs/dbraw/zinc/98/20/76/353982076.db2.gz SKVLFZAIQZFWCS-LBPRGKRZSA-N 2 1 272.393 -0.137 20 0 CBADMP CC[NH2+]CCNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000417728852 353982115 /nfs/dbraw/zinc/98/21/15/353982115.db2.gz PPAFYGOGYQSBPY-GFCCVEGCSA-N 2 1 272.393 -0.137 20 0 CBADMP C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CC2)C[C@H](C)[N@@H+]1CCO ZINC000418414211 353997307 /nfs/dbraw/zinc/99/73/07/353997307.db2.gz ZIUREXMVBSNFSV-NTZNESFSSA-N 2 1 284.404 -0.180 20 0 CBADMP C[C@@H](CNC(=O)NCC(C)(C)[NH3+])C[NH+]1CCOCC1 ZINC000417712446 353982216 /nfs/dbraw/zinc/98/22/16/353982216.db2.gz FWKVEUCJKGRYPP-NSHDSACASA-N 2 1 272.393 -0.009 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[NH2+]CCO2)CCC[N@H+]1C ZINC000417993249 353985263 /nfs/dbraw/zinc/98/52/63/353985263.db2.gz AFOBPBGXJCBEKI-IJLUTSLNSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H]1[C@@H](NC(=O)NCCN2CC[NH2+]CC2)CCC[N@H+]1C ZINC000418003881 353986121 /nfs/dbraw/zinc/98/61/21/353986121.db2.gz NLZLGGOJOBLHDO-STQMWFEESA-N 2 1 283.420 -0.327 20 0 CBADMP 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 353986388 /nfs/dbraw/zinc/98/63/88/353986388.db2.gz MCMWVOVQRZRUAQ-HHHUOAJASA-N 2 1 252.362 -0.014 20 0 CBADMP C[C@H]1[C@H](NC(=O)NCCN2CC[NH2+]CC2)CCC[N@H+]1C ZINC000418003880 353986734 /nfs/dbraw/zinc/98/67/34/353986734.db2.gz NLZLGGOJOBLHDO-QWHCGFSZSA-N 2 1 283.420 -0.327 20 0 CBADMP [NH3+]CCNC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000418292897 353990928 /nfs/dbraw/zinc/99/09/28/353990928.db2.gz DVFRXZPMJPHVKI-UONOGXRCSA-N 2 1 292.383 -0.120 20 0 CBADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC[NH3+] ZINC000418308559 353992698 /nfs/dbraw/zinc/99/26/98/353992698.db2.gz UPIMHUFQYJFUKA-UHFFFAOYSA-N 2 1 258.366 -0.303 20 0 CBADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC[NH3+] ZINC000418308559 353992701 /nfs/dbraw/zinc/99/27/01/353992701.db2.gz UPIMHUFQYJFUKA-UHFFFAOYSA-N 2 1 258.366 -0.303 20 0 CBADMP CC[NH2+]CCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000418321242 353993901 /nfs/dbraw/zinc/99/39/01/353993901.db2.gz YCXAVPCSYROYQY-LBPRGKRZSA-N 2 1 272.393 -0.258 20 0 CBADMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)N[C@@H]1CCC[NH2+]C1 ZINC000418379890 353995614 /nfs/dbraw/zinc/99/56/14/353995614.db2.gz JJTNCANVQJSSME-CHWSQXEVSA-N 2 1 284.404 -0.116 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000418378008 353995738 /nfs/dbraw/zinc/99/57/38/353995738.db2.gz ZXZAAIVLIADBMZ-YNEHKIRRSA-N 2 1 286.420 -0.062 20 0 CBADMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)N[C@H]1CCC[NH2+]C1 ZINC000418379893 353995828 /nfs/dbraw/zinc/99/58/28/353995828.db2.gz JJTNCANVQJSSME-QWHCGFSZSA-N 2 1 284.404 -0.116 20 0 CBADMP C[C@@H]1C[C@H](C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000414651140 353963485 /nfs/dbraw/zinc/96/34/85/353963485.db2.gz FFELTSQBZFVGDT-CHWSQXEVSA-N 3 1 268.405 -0.262 20 0 CBADMP C[C@@H]1C[C@H](C[N@H+](C)CC(=O)N2CCNCC2)CC[NH2+]1 ZINC000414651140 353963487 /nfs/dbraw/zinc/96/34/87/353963487.db2.gz FFELTSQBZFVGDT-CHWSQXEVSA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@@H]1C[C@H](C[N@@H+](C)CC(=O)N2CCNCC2)CC[NH2+]1 ZINC000414651140 353963489 /nfs/dbraw/zinc/96/34/89/353963489.db2.gz FFELTSQBZFVGDT-CHWSQXEVSA-N 2 1 268.405 -0.262 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000419230233 354039521 /nfs/dbraw/zinc/03/95/21/354039521.db2.gz YJGLBFSVHDTDFY-ZDUSSCGKSA-N 2 1 294.399 -0.425 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000419230232 354039713 /nfs/dbraw/zinc/03/97/13/354039713.db2.gz YJGLBFSVHDTDFY-CYBMUJFWSA-N 2 1 294.399 -0.425 20 0 CBADMP CCCC[C@H](C[NH3+])NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000418470016 353998364 /nfs/dbraw/zinc/99/83/64/353998364.db2.gz QFZSHVYKFSADPJ-YPMHNXCESA-N 2 1 272.393 -0.130 20 0 CBADMP CCC[NH2+]CCNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000418484503 353998761 /nfs/dbraw/zinc/99/87/61/353998761.db2.gz YRKWTVFLRGGYDJ-LBPRGKRZSA-N 2 1 272.393 -0.306 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418495367 353999278 /nfs/dbraw/zinc/99/92/78/353999278.db2.gz UMKFIMOUBAPHFY-RYUDHWBXSA-N 2 1 272.393 -0.273 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000418477221 353999426 /nfs/dbraw/zinc/99/94/26/353999426.db2.gz UTCTZIKPGKHJBN-UTUOFQBUSA-N 2 1 272.393 -0.322 20 0 CBADMP CC[NH+]1CCN(C(=O)NCC[NH2+]CCOC)CC1 ZINC000418510359 353999896 /nfs/dbraw/zinc/99/98/96/353999896.db2.gz POVHIOGPBNISIG-UHFFFAOYSA-N 2 1 258.366 -0.431 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418514536 354001522 /nfs/dbraw/zinc/00/15/22/354001522.db2.gz ARJSOQZLYBWCDG-RYUDHWBXSA-N 2 1 272.393 -0.130 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000418589524 354002963 /nfs/dbraw/zinc/00/29/63/354002963.db2.gz JEYWRENTMYJMHE-NEPJUHHUSA-N 2 1 272.393 -0.308 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000418732227 354006189 /nfs/dbraw/zinc/00/61/89/354006189.db2.gz QNMVVBPTVSQDLR-NWDGAFQWSA-N 2 1 272.393 -0.130 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418772203 354008694 /nfs/dbraw/zinc/00/86/94/354008694.db2.gz SKRBJAXQBULPHD-STQMWFEESA-N 2 1 284.404 -0.044 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000418833875 354011757 /nfs/dbraw/zinc/01/17/57/354011757.db2.gz NYIZEQKCFHHVFE-LLVKDONJSA-N 2 1 296.371 -0.276 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NCCC[NH3+])Cc1ccccc1 ZINC000418943195 354016322 /nfs/dbraw/zinc/01/63/22/354016322.db2.gz MTEYUYFDZVOTEE-UHFFFAOYSA-N 2 1 292.383 -0.300 20 0 CBADMP 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 354016572 /nfs/dbraw/zinc/01/65/72/354016572.db2.gz CISKPIMCISBIKW-MROQNXINSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[NH3+])C1 ZINC000419027966 354025253 /nfs/dbraw/zinc/02/52/53/354025253.db2.gz PLEBCMREQYVFOU-TXEJJXNPSA-N 2 1 298.431 -0.066 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419031866 354025393 /nfs/dbraw/zinc/02/53/93/354025393.db2.gz UYYDTBMKUDVRJV-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C[C@H]1C[NH3+] ZINC000419111745 354028236 /nfs/dbraw/zinc/02/82/36/354028236.db2.gz UNLUOZBAQYQGPN-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419109432 354028304 /nfs/dbraw/zinc/02/83/04/354028304.db2.gz RHYINENKLYATCI-ZYHUDNBSSA-N 2 1 282.388 -0.689 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)C1CC1 ZINC000419113956 354029786 /nfs/dbraw/zinc/02/97/86/354029786.db2.gz WVBZXCOFSYQWGO-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000419159107 354034414 /nfs/dbraw/zinc/03/44/14/354034414.db2.gz YTEBWDVZQKJFEF-NSHDSACASA-N 2 1 282.388 -0.545 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000419226107 354038948 /nfs/dbraw/zinc/03/89/48/354038948.db2.gz QELDOLDJXUOHQM-UHFFFAOYSA-N 2 1 296.415 -0.178 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000419565214 354063040 /nfs/dbraw/zinc/06/30/40/354063040.db2.gz YMRBULDTSOWGND-OUAUKWLOSA-N 2 1 270.377 -0.691 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000419566011 354063136 /nfs/dbraw/zinc/06/31/36/354063136.db2.gz ZJGQLTGGAMJWNI-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419578552 354064123 /nfs/dbraw/zinc/06/41/23/354064123.db2.gz FCGZJWOQENOMPR-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[NH2+]CC1)C1CCCC1 ZINC000419698116 354069800 /nfs/dbraw/zinc/06/98/00/354069800.db2.gz RYXSZHRRCRIRDJ-UHFFFAOYSA-N 2 1 296.415 -0.201 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419697462 354070277 /nfs/dbraw/zinc/07/02/77/354070277.db2.gz QRVYOISSEHWVQX-RYUDHWBXSA-N 2 1 294.399 -0.402 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419693455 354070422 /nfs/dbraw/zinc/07/04/22/354070422.db2.gz IPKXCMPTEJHVFB-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419690805 354070574 /nfs/dbraw/zinc/07/05/74/354070574.db2.gz CROJIOGHAQVGSB-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419698562 354070946 /nfs/dbraw/zinc/07/09/46/354070946.db2.gz PUIBVYIDUDFUJA-GFCCVEGCSA-N 2 1 284.404 -0.312 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CCC1)C1CCCC1 ZINC000419700444 354071557 /nfs/dbraw/zinc/07/15/57/354071557.db2.gz XMCQVVUIIPDVAK-UHFFFAOYSA-N 2 1 296.415 -0.025 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419758487 354074730 /nfs/dbraw/zinc/07/47/30/354074730.db2.gz FEWHQSINKISVKR-UHFFFAOYSA-N 2 1 272.393 -0.312 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419756694 354075191 /nfs/dbraw/zinc/07/51/91/354075191.db2.gz BFZTYZXUSYDRHX-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419763144 354075370 /nfs/dbraw/zinc/07/53/70/354075370.db2.gz NELBBMXMNPCDEY-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419763136 354075557 /nfs/dbraw/zinc/07/55/57/354075557.db2.gz NEHFBOLTFWCFTH-GFCCVEGCSA-N 2 1 284.404 -0.312 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419772882 354077179 /nfs/dbraw/zinc/07/71/79/354077179.db2.gz ZJGQEVWZBGESAM-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419830421 354081442 /nfs/dbraw/zinc/08/14/42/354081442.db2.gz QGUIEIMWNFQCHU-RWMBFGLXSA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419831931 354081508 /nfs/dbraw/zinc/08/15/08/354081508.db2.gz RGJPZZHNKAGQDM-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCCC[NH3+])C[C@@H]1C ZINC000419836067 354081841 /nfs/dbraw/zinc/08/18/41/354081841.db2.gz XAWWXNINVXMRIQ-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCCC[NH3+])C[C@@H]1C ZINC000419836067 354081843 /nfs/dbraw/zinc/08/18/43/354081843.db2.gz XAWWXNINVXMRIQ-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH3+])C[C@H]1C ZINC000419833610 354082424 /nfs/dbraw/zinc/08/24/24/354082424.db2.gz QDRLXSQVUQXJMP-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH3+])C[C@H]1C ZINC000419833610 354082428 /nfs/dbraw/zinc/08/24/28/354082428.db2.gz QDRLXSQVUQXJMP-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419836371 354082433 /nfs/dbraw/zinc/08/24/33/354082433.db2.gz BMNXUVMQRHSYGL-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC[NH2+]1 ZINC000419836263 354082475 /nfs/dbraw/zinc/08/24/75/354082475.db2.gz VMSPQGRKRBVGKP-RWMBFGLXSA-N 2 1 294.399 -0.450 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCCC[NH3+])C(C)C ZINC000419841481 354083113 /nfs/dbraw/zinc/08/31/13/354083113.db2.gz URBFXYZJNDWBCZ-UHFFFAOYSA-N 2 1 258.366 -0.702 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419839380 354083317 /nfs/dbraw/zinc/08/33/17/354083317.db2.gz HGXZCIOAUJPUAK-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419860079 354086642 /nfs/dbraw/zinc/08/66/42/354086642.db2.gz KKCAWELPLWMTNB-ZDUSSCGKSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419860412 354086659 /nfs/dbraw/zinc/08/66/59/354086659.db2.gz KRPYOZMWDMVQRC-RYUDHWBXSA-N 2 1 282.388 -0.560 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000419881362 354088826 /nfs/dbraw/zinc/08/88/26/354088826.db2.gz WDZPAEURSVEUNH-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C[C@H]1C ZINC000419871375 354086976 /nfs/dbraw/zinc/08/69/76/354086976.db2.gz SPPIZSFJGPMFNL-NTZNESFSSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C[C@H]1C ZINC000419871375 354086977 /nfs/dbraw/zinc/08/69/77/354086977.db2.gz SPPIZSFJGPMFNL-NTZNESFSSA-N 2 1 296.415 -0.219 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419300277 354044155 /nfs/dbraw/zinc/04/41/55/354044155.db2.gz LSOTUHDXPGUUMU-LBPRGKRZSA-N 2 1 295.387 -0.203 20 0 CBADMP CCCC[N@H+](C)CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419292807 354044213 /nfs/dbraw/zinc/04/42/13/354044213.db2.gz ZRMGAKKKNTXRKW-UHFFFAOYSA-N 2 1 294.346 -0.455 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419292807 354044215 /nfs/dbraw/zinc/04/42/15/354044215.db2.gz ZRMGAKKKNTXRKW-UHFFFAOYSA-N 2 1 294.346 -0.455 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000419287260 354044346 /nfs/dbraw/zinc/04/43/46/354044346.db2.gz PQVRAXUCCYMKRJ-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419302758 354044538 /nfs/dbraw/zinc/04/45/38/354044538.db2.gz QMGALMDEOBXBLO-UHFFFAOYSA-N 2 1 293.371 -0.482 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419286914 354044564 /nfs/dbraw/zinc/04/45/64/354044564.db2.gz PAAQGPBTHOMGEE-LLVKDONJSA-N 2 1 272.393 -0.312 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419287770 354044894 /nfs/dbraw/zinc/04/48/94/354044894.db2.gz QMOUAAWOQUODME-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C[N@H+]1C1CC1 ZINC000419322080 354045507 /nfs/dbraw/zinc/04/55/07/354045507.db2.gz RULDIKWFSRJBCF-SUZMYJTESA-N 2 1 294.399 -0.419 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000419316850 354045846 /nfs/dbraw/zinc/04/58/46/354045846.db2.gz LXEHMBMZEJJGSG-VXGBXAGGSA-N 2 1 296.415 -0.156 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000419315457 354045978 /nfs/dbraw/zinc/04/59/78/354045978.db2.gz JWAOFWJGHLCLEH-TUAOUCFPSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000419316098 354046155 /nfs/dbraw/zinc/04/61/55/354046155.db2.gz KTBXANSCTJLDIR-MNOVXSKESA-N 2 1 280.372 -0.840 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419311119 354046267 /nfs/dbraw/zinc/04/62/67/354046267.db2.gz BCXSUIHXDHHMMA-OASPWFOLSA-N 2 1 294.399 -0.561 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000419341350 354046802 /nfs/dbraw/zinc/04/68/02/354046802.db2.gz YLVLSVPHWYSYLU-DGCLKSJQSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000419322896 354047409 /nfs/dbraw/zinc/04/74/09/354047409.db2.gz SYTYYAOASWUPIH-GRYCIOLGSA-N 2 1 294.399 -0.404 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419407255 354051004 /nfs/dbraw/zinc/05/10/04/354051004.db2.gz JYGMARUWOYNXPY-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419402691 354051078 /nfs/dbraw/zinc/05/10/78/354051078.db2.gz CVPGDRACMIKZSP-STQMWFEESA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000419402631 354051353 /nfs/dbraw/zinc/05/13/53/354051353.db2.gz COUUKCLBNNUMLE-NWDGAFQWSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000419403013 354051407 /nfs/dbraw/zinc/05/14/07/354051407.db2.gz CZCLNDPKKYNWTD-AAEUAGOBSA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419408447 354052239 /nfs/dbraw/zinc/05/22/39/354052239.db2.gz LOMFVMBRSVINMG-WCQYABFASA-N 2 1 296.415 -0.312 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000419407989 354052368 /nfs/dbraw/zinc/05/23/68/354052368.db2.gz LDZMQPQSKFHWIH-NSHDSACASA-N 2 1 298.412 -0.197 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419408448 354052673 /nfs/dbraw/zinc/05/26/73/354052673.db2.gz LOMFVMBRSVINMG-YPMHNXCESA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419414708 354052708 /nfs/dbraw/zinc/05/27/08/354052708.db2.gz UHVHOPVOHVVDJF-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000419410488 354052771 /nfs/dbraw/zinc/05/27/71/354052771.db2.gz OMPTZKXBPAXVOX-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C[C@@H]1C ZINC000419871371 354087415 /nfs/dbraw/zinc/08/74/15/354087415.db2.gz SPPIZSFJGPMFNL-GMXVVIOVSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C[C@@H]1C ZINC000419871371 354087419 /nfs/dbraw/zinc/08/74/19/354087419.db2.gz SPPIZSFJGPMFNL-GMXVVIOVSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419417645 354053017 /nfs/dbraw/zinc/05/30/17/354053017.db2.gz XKDQVIPLMSBREC-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419417177 354053793 /nfs/dbraw/zinc/05/37/93/354053793.db2.gz WZGYEXWAIDQEFB-QWHCGFSZSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419509199 354056470 /nfs/dbraw/zinc/05/64/70/354056470.db2.gz DODHTFQDFQOLKK-GHMZBOCLSA-N 2 1 272.393 -0.456 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CCC1)C1CC1 ZINC000419521501 354057772 /nfs/dbraw/zinc/05/77/72/354057772.db2.gz JZMYRQWBHYMQTQ-UHFFFAOYSA-N 2 1 282.388 -0.416 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)C1CC1 ZINC000419530288 354058446 /nfs/dbraw/zinc/05/84/46/354058446.db2.gz YUKSZGWZPOYHBW-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419526951 354058672 /nfs/dbraw/zinc/05/86/72/354058672.db2.gz ULWZHARJWQWGHU-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCC[NH2+]C ZINC000419525211 354058731 /nfs/dbraw/zinc/05/87/31/354058731.db2.gz RCOLJTGNDWEGJG-NSHDSACASA-N 2 1 272.393 -0.441 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419530771 354059494 /nfs/dbraw/zinc/05/94/94/354059494.db2.gz ZKLOVVVWCYSKGP-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419530773 354059633 /nfs/dbraw/zinc/05/96/33/354059633.db2.gz ZKLOVVVWCYSKGP-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC[NH2+]1 ZINC000419544340 354060037 /nfs/dbraw/zinc/06/00/37/354060037.db2.gz HLCGVNRNEZOEBJ-UTUOFQBUSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419543213 354060363 /nfs/dbraw/zinc/06/03/63/354060363.db2.gz GAVMAUSIXHUXIL-IJLUTSLNSA-N 2 1 284.404 -0.301 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419879222 354087733 /nfs/dbraw/zinc/08/77/33/354087733.db2.gz JUDSGNKEDNDLPC-RYUDHWBXSA-N 2 1 282.388 -0.737 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000419561051 354061142 /nfs/dbraw/zinc/06/11/42/354061142.db2.gz RWHXITCQIKSEQM-IJLUTSLNSA-N 2 1 282.388 -0.594 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419879222 354087736 /nfs/dbraw/zinc/08/77/36/354087736.db2.gz JUDSGNKEDNDLPC-RYUDHWBXSA-N 2 1 282.388 -0.737 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000419887819 354089948 /nfs/dbraw/zinc/08/99/48/354089948.db2.gz JGRCABHAZQPNCZ-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000419892754 354090575 /nfs/dbraw/zinc/09/05/75/354090575.db2.gz UUSFVFIWJOVGFQ-NEPJUHHUSA-N 2 1 282.388 -0.737 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000419892754 354090577 /nfs/dbraw/zinc/09/05/77/354090577.db2.gz UUSFVFIWJOVGFQ-NEPJUHHUSA-N 2 1 282.388 -0.737 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000419895096 354090966 /nfs/dbraw/zinc/09/09/66/354090966.db2.gz ONZJIDUCKWPQGK-STQMWFEESA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000419895096 354090969 /nfs/dbraw/zinc/09/09/69/354090969.db2.gz ONZJIDUCKWPQGK-STQMWFEESA-N 2 1 296.415 -0.489 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000419897403 354091802 /nfs/dbraw/zinc/09/18/02/354091802.db2.gz VVGYMRJWIQOMCZ-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000419897403 354091805 /nfs/dbraw/zinc/09/18/05/354091805.db2.gz VVGYMRJWIQOMCZ-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000419906909 354092825 /nfs/dbraw/zinc/09/28/25/354092825.db2.gz DLKHNUKWJIQADR-UHFFFAOYSA-N 2 1 296.415 -0.344 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH3+])C(C)C ZINC000419937679 354094371 /nfs/dbraw/zinc/09/43/71/354094371.db2.gz GMAQPQKZKFETAB-NSHDSACASA-N 2 1 272.393 -0.456 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419950858 354096157 /nfs/dbraw/zinc/09/61/57/354096157.db2.gz HXKVAEVKAJVLID-LBPRGKRZSA-N 2 1 284.404 -0.502 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000419961049 354097523 /nfs/dbraw/zinc/09/75/23/354097523.db2.gz SWNQKVUGBKXCLP-JHJVBQTASA-N 2 1 298.431 -0.066 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000419964027 354098068 /nfs/dbraw/zinc/09/80/68/354098068.db2.gz ZTAOHWVWFPRASG-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000419979688 354098899 /nfs/dbraw/zinc/09/88/99/354098899.db2.gz PWBOKMAISYKPTL-STQMWFEESA-N 2 1 298.431 -0.243 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000419979688 354098901 /nfs/dbraw/zinc/09/89/01/354098901.db2.gz PWBOKMAISYKPTL-STQMWFEESA-N 2 1 298.431 -0.243 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H](C)C[NH3+])C[C@@H]1C ZINC000420023043 354103154 /nfs/dbraw/zinc/10/31/54/354103154.db2.gz WTWUXPCTURTZFX-GARJFASQSA-N 2 1 270.377 -0.609 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H](C)C[NH3+])C[C@@H]1C ZINC000420023043 354103158 /nfs/dbraw/zinc/10/31/58/354103158.db2.gz WTWUXPCTURTZFX-GARJFASQSA-N 2 1 270.377 -0.609 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC(C)(C)[NH3+])C[C@@H]1C ZINC000420070045 354107296 /nfs/dbraw/zinc/10/72/96/354107296.db2.gz BTTZIBDQVIBCML-QWRGUYRKSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC(C)(C)[NH3+])C[C@@H]1C ZINC000420070045 354107299 /nfs/dbraw/zinc/10/72/99/354107299.db2.gz BTTZIBDQVIBCML-QWRGUYRKSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000420108594 354109475 /nfs/dbraw/zinc/10/94/75/354109475.db2.gz CRDTZNZHWKEUOA-YPMHNXCESA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+](CCNC(=O)C(=O)NCC(F)(F)C[NH3+])C(C)C ZINC000420151760 354113685 /nfs/dbraw/zinc/11/36/85/354113685.db2.gz NUKFOAFAUQNHLX-UHFFFAOYSA-N 2 1 294.346 -0.457 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC(F)(F)C[NH3+])C(C)C ZINC000420151760 354113687 /nfs/dbraw/zinc/11/36/87/354113687.db2.gz NUKFOAFAUQNHLX-UHFFFAOYSA-N 2 1 294.346 -0.457 20 0 CBADMP COC(=O)CN(C)C(=O)CC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000420301184 354121793 /nfs/dbraw/zinc/12/17/93/354121793.db2.gz ILWHHGUNCSTWDA-CYBMUJFWSA-N 2 1 273.377 -0.029 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000420290311 354121857 /nfs/dbraw/zinc/12/18/57/354121857.db2.gz LUVKXVWQVPKOCP-UHFFFAOYSA-N 2 1 273.377 -0.075 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328184 354122306 /nfs/dbraw/zinc/12/23/06/354122306.db2.gz DYFNFGPZXPDRKK-BETUJISGSA-N 2 1 297.399 -0.061 20 0 CBADMP O=C(CC[N@H+]1CCOC[C@@H]1C1CC1)N1CC[NH2+]CC1 ZINC000420356181 354125023 /nfs/dbraw/zinc/12/50/23/354125023.db2.gz FZKWAHMRRSTGJR-CYBMUJFWSA-N 2 1 267.373 -0.081 20 0 CBADMP COC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420357568 354125397 /nfs/dbraw/zinc/12/53/97/354125397.db2.gz IGXVGPASLCURBD-NSHDSACASA-N 2 1 269.345 -0.554 20 0 CBADMP COC(=O)[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420357568 354125399 /nfs/dbraw/zinc/12/53/99/354125399.db2.gz IGXVGPASLCURBD-NSHDSACASA-N 2 1 269.345 -0.554 20 0 CBADMP CNS(=O)(=O)CCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420354382 354125464 /nfs/dbraw/zinc/12/54/64/354125464.db2.gz BGHVMQIORFVNLQ-GMTAPVOTSA-N 2 1 263.407 -0.098 20 0 CBADMP CC(C)C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420353859 354125469 /nfs/dbraw/zinc/12/54/69/354125469.db2.gz CJPAIPKWJHIJBR-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420353859 354125471 /nfs/dbraw/zinc/12/54/71/354125471.db2.gz CJPAIPKWJHIJBR-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[C@]1(C)C(=O)NCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420353832 354125638 /nfs/dbraw/zinc/12/56/38/354125638.db2.gz CJEUPFWEEMMXHG-CQSZACIVSA-N 2 1 268.405 -0.118 20 0 CBADMP CCC[C@]1(C)C(=O)NCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000420353832 354125642 /nfs/dbraw/zinc/12/56/42/354125642.db2.gz CJEUPFWEEMMXHG-CQSZACIVSA-N 2 1 268.405 -0.118 20 0 CBADMP C[NH2+]CCC[N@H+](C)CCCS(=O)(=O)N(C)C ZINC000420392558 354126346 /nfs/dbraw/zinc/12/63/46/354126346.db2.gz VJUASLNIPZQCPA-UHFFFAOYSA-N 2 1 251.396 -0.191 20 0 CBADMP C[NH2+]CCC[N@@H+](C)CCCS(=O)(=O)N(C)C ZINC000420392558 354126348 /nfs/dbraw/zinc/12/63/48/354126348.db2.gz VJUASLNIPZQCPA-UHFFFAOYSA-N 2 1 251.396 -0.191 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423247960 354166667 /nfs/dbraw/zinc/16/66/67/354166667.db2.gz QXQIBZDMTUUPIA-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000423324229 354167867 /nfs/dbraw/zinc/16/78/67/354167867.db2.gz KJAVYCCFQYNPBV-AWEZNQCLSA-N 2 1 287.404 -0.303 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000423373536 354172008 /nfs/dbraw/zinc/17/20/08/354172008.db2.gz HFSJMFAADGPXRH-NSHDSACASA-N 2 1 271.361 -0.133 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([NH3+])CC2)C[C@@H]1C ZINC000423372899 354172179 /nfs/dbraw/zinc/17/21/79/354172179.db2.gz HJQOINPENIJICJ-NWDGAFQWSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([NH3+])CC2)C[C@@H]1C ZINC000423372899 354172184 /nfs/dbraw/zinc/17/21/84/354172184.db2.gz HJQOINPENIJICJ-NWDGAFQWSA-N 2 1 296.415 -0.123 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)C[C@H]1C ZINC000423390645 354173836 /nfs/dbraw/zinc/17/38/36/354173836.db2.gz OTMSLVIWBFPWDH-HIFRSBDPSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)C[C@H]1C ZINC000423390645 354173838 /nfs/dbraw/zinc/17/38/38/354173838.db2.gz OTMSLVIWBFPWDH-HIFRSBDPSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[C@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000423379208 354173867 /nfs/dbraw/zinc/17/38/67/354173867.db2.gz GKYXGWSYDBLUJA-RYUDHWBXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@@H]1C ZINC000423391097 354174316 /nfs/dbraw/zinc/17/43/16/354174316.db2.gz PGSSWQZFENELHM-YNEHKIRRSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@@H]1C ZINC000423391097 354174320 /nfs/dbraw/zinc/17/43/20/354174320.db2.gz PGSSWQZFENELHM-YNEHKIRRSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCC[NH2+]C)C[C@H]1C ZINC000423391164 354174745 /nfs/dbraw/zinc/17/47/45/354174745.db2.gz PLZHTQXHYSUQEH-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCC[NH2+]C)C[C@H]1C ZINC000423391164 354174747 /nfs/dbraw/zinc/17/47/47/354174747.db2.gz PLZHTQXHYSUQEH-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[NH2+]C)C[C@@H]1C ZINC000423391165 354174846 /nfs/dbraw/zinc/17/48/46/354174846.db2.gz PLZHTQXHYSUQEH-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[NH2+]C)C[C@@H]1C ZINC000423391165 354174848 /nfs/dbraw/zinc/17/48/48/354174848.db2.gz PLZHTQXHYSUQEH-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@H]1C ZINC000423394361 354174858 /nfs/dbraw/zinc/17/48/58/354174858.db2.gz RIHSUPAKWQKSOY-WOPDTQHZSA-N 2 1 282.388 -0.513 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@H]1C ZINC000423394361 354174861 /nfs/dbraw/zinc/17/48/61/354174861.db2.gz RIHSUPAKWQKSOY-WOPDTQHZSA-N 2 1 282.388 -0.513 20 0 CBADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000422041628 354142496 /nfs/dbraw/zinc/14/24/96/354142496.db2.gz UPDFTNUDOSLJKB-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000422041628 354142500 /nfs/dbraw/zinc/14/25/00/354142500.db2.gz UPDFTNUDOSLJKB-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000422041628 354142502 /nfs/dbraw/zinc/14/25/02/354142502.db2.gz UPDFTNUDOSLJKB-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000422041628 354142504 /nfs/dbraw/zinc/14/25/04/354142504.db2.gz UPDFTNUDOSLJKB-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)[C@H]2C)C1 ZINC000422422745 354147050 /nfs/dbraw/zinc/14/70/50/354147050.db2.gz GNXMTYFKXKFFOS-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000422422745 354147052 /nfs/dbraw/zinc/14/70/52/354147052.db2.gz GNXMTYFKXKFFOS-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000422422745 354147054 /nfs/dbraw/zinc/14/70/54/354147054.db2.gz GNXMTYFKXKFFOS-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)C1 ZINC000422422747 354147193 /nfs/dbraw/zinc/14/71/93/354147193.db2.gz GNXMTYFKXKFFOS-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000422422747 354147197 /nfs/dbraw/zinc/14/71/97/354147197.db2.gz GNXMTYFKXKFFOS-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000422422747 354147199 /nfs/dbraw/zinc/14/71/99/354147199.db2.gz GNXMTYFKXKFFOS-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP COCC[NH2+]CCNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422604483 354150167 /nfs/dbraw/zinc/15/01/67/354150167.db2.gz BYNDERDGYONTQE-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000422733748 354152799 /nfs/dbraw/zinc/15/27/99/354152799.db2.gz RNNHECXAUSYUCF-NWDGAFQWSA-N 2 1 255.362 -0.036 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000422733748 354152801 /nfs/dbraw/zinc/15/28/01/354152801.db2.gz RNNHECXAUSYUCF-NWDGAFQWSA-N 2 1 255.362 -0.036 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000422837314 354155570 /nfs/dbraw/zinc/15/55/70/354155570.db2.gz LVXOQTFSTLYJTL-VXGBXAGGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000422837314 354155573 /nfs/dbraw/zinc/15/55/73/354155573.db2.gz LVXOQTFSTLYJTL-VXGBXAGGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000422856697 354156847 /nfs/dbraw/zinc/15/68/47/354156847.db2.gz FVQKPGOVHCOWNA-VXGBXAGGSA-N 2 1 255.362 -0.051 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000422856697 354156852 /nfs/dbraw/zinc/15/68/52/354156852.db2.gz FVQKPGOVHCOWNA-VXGBXAGGSA-N 2 1 255.362 -0.051 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422972970 354158845 /nfs/dbraw/zinc/15/88/45/354158845.db2.gz NGGHTXUTYKNGRG-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423016262 354160391 /nfs/dbraw/zinc/16/03/91/354160391.db2.gz SOLZYSIHJMYFNJ-UHFFFAOYSA-N 2 1 270.377 -0.796 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C[C@H]1[NH3+] ZINC000423532552 354179733 /nfs/dbraw/zinc/17/97/33/354179733.db2.gz ZXYDTUCFSSAHSE-ZYHUDNBSSA-N 2 1 282.388 -0.655 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423626560 354186593 /nfs/dbraw/zinc/18/65/93/354186593.db2.gz HJMXGPWRZHVSNS-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423637183 354187683 /nfs/dbraw/zinc/18/76/83/354187683.db2.gz GZQXUTZFMFTSDD-LBPRGKRZSA-N 2 1 282.388 -0.511 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423679235 354191273 /nfs/dbraw/zinc/19/12/73/354191273.db2.gz DJKXQZLIJSQEHD-OAHLLOKOSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423684526 354191680 /nfs/dbraw/zinc/19/16/80/354191680.db2.gz URBCMQCPHGPMQQ-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423714862 354192853 /nfs/dbraw/zinc/19/28/53/354192853.db2.gz YENJRWUHRDXPFM-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000423710052 354193366 /nfs/dbraw/zinc/19/33/66/354193366.db2.gz JVJXZGNQCKVDRE-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423727207 354193840 /nfs/dbraw/zinc/19/38/40/354193840.db2.gz QTANVGSASGFHMH-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)COC2C[NH2+]C2)C[C@H](C)O1 ZINC000423759277 354198139 /nfs/dbraw/zinc/19/81/39/354198139.db2.gz HPOREEJMZSNTEK-TXEJJXNPSA-N 2 1 285.388 -0.458 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)COC2C[NH2+]C2)C[C@H](C)O1 ZINC000423759277 354198140 /nfs/dbraw/zinc/19/81/40/354198140.db2.gz HPOREEJMZSNTEK-TXEJJXNPSA-N 2 1 285.388 -0.458 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423781383 354199197 /nfs/dbraw/zinc/19/91/97/354199197.db2.gz XPBOASFJDXVREZ-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000423776711 354199218 /nfs/dbraw/zinc/19/92/18/354199218.db2.gz AVMMCAJLKQFKDP-JTQLQIEISA-N 2 1 271.361 -0.181 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000423780305 354199321 /nfs/dbraw/zinc/19/93/21/354199321.db2.gz GKNHODZNJKLQOM-RYUDHWBXSA-N 2 1 285.388 -0.062 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000423777580 354199376 /nfs/dbraw/zinc/19/93/76/354199376.db2.gz RTYVNNDOZMLRJM-JSGCOSHPSA-N 2 1 298.431 -0.116 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423781384 354199859 /nfs/dbraw/zinc/19/98/59/354199859.db2.gz XPBOASFJDXVREZ-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH2+]CCC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000423858564 354202030 /nfs/dbraw/zinc/20/20/30/354202030.db2.gz CPYCWKNBPQSJNB-NSHDSACASA-N 2 1 271.361 -0.308 20 0 CBADMP C[NH2+]CCC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000423858564 354202032 /nfs/dbraw/zinc/20/20/32/354202032.db2.gz CPYCWKNBPQSJNB-NSHDSACASA-N 2 1 271.361 -0.308 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000423844080 354202190 /nfs/dbraw/zinc/20/21/90/354202190.db2.gz IREBNYOTYKHOFC-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)C[NH3+])[C@@H](C)C1 ZINC000423859862 354202300 /nfs/dbraw/zinc/20/23/00/354202300.db2.gz KGMNFPLMVHAYNM-MNOVXSKESA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)C[NH3+])[C@@H](C)C1 ZINC000423859862 354202305 /nfs/dbraw/zinc/20/23/05/354202305.db2.gz KGMNFPLMVHAYNM-MNOVXSKESA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CC[NH3+])[C@H](C)C1 ZINC000423864208 354203219 /nfs/dbraw/zinc/20/32/19/354203219.db2.gz YKACFEOABYWQJK-SNVBAGLBSA-N 2 1 257.334 -0.569 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)CC[NH3+])[C@H](C)C1 ZINC000423864208 354203223 /nfs/dbraw/zinc/20/32/23/354203223.db2.gz YKACFEOABYWQJK-SNVBAGLBSA-N 2 1 257.334 -0.569 20 0 CBADMP C[NH2+]CCC(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423892886 354204218 /nfs/dbraw/zinc/20/42/18/354204218.db2.gz KPMGWFHPTKBIIJ-NSHDSACASA-N 2 1 271.361 -0.308 20 0 CBADMP C[NH2+]CCC(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423892886 354204219 /nfs/dbraw/zinc/20/42/19/354204219.db2.gz KPMGWFHPTKBIIJ-NSHDSACASA-N 2 1 271.361 -0.308 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CC[NH3+])CC1=O ZINC000423998200 354207338 /nfs/dbraw/zinc/20/73/38/354207338.db2.gz AFJYDZJADKRKKN-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424169026 354212977 /nfs/dbraw/zinc/21/29/77/354212977.db2.gz GPWPECCJSLHPBM-MJBXVCDLSA-N 2 1 280.416 -0.038 20 0 CBADMP C[N@@H+](CCNC(=O)COC1C[NH2+]C1)C1CCCC1 ZINC000430709744 354250491 /nfs/dbraw/zinc/25/04/91/354250491.db2.gz ZBBNXRRMEOLIII-UHFFFAOYSA-N 2 1 255.362 -0.035 20 0 CBADMP CCS(=O)(=O)NCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430568869 354250581 /nfs/dbraw/zinc/25/05/81/354250581.db2.gz KVYGDSXYAZGXAC-JTQLQIEISA-N 2 1 251.396 -0.111 20 0 CBADMP C[C@H](CNC(=O)C(C)(C)C[NH3+])CN1CC[NH+](C)CC1 ZINC000431016984 354251675 /nfs/dbraw/zinc/25/16/75/354251675.db2.gz MLLWKVLKNWNETF-GFCCVEGCSA-N 2 1 270.421 -0.029 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000431032844 354251904 /nfs/dbraw/zinc/25/19/04/354251904.db2.gz FBWGJPMIAHJGCB-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)CN1CC[NH+](C)CC1 ZINC000444264053 354266581 /nfs/dbraw/zinc/26/65/81/354266581.db2.gz BSIZCCMCCBBMGJ-IJEWVQPXSA-N 2 1 294.443 -0.014 20 0 CBADMP CN(C)c1nc(N2CCN(C(=O)[C@H]3CC[NH2+]3)CC2)cc[nH+]1 ZINC000444258888 354266770 /nfs/dbraw/zinc/26/67/70/354266770.db2.gz KQSCWTQJXOPYLK-LLVKDONJSA-N 2 1 290.371 -0.447 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1C[NH2+]CCO1 ZINC000444169197 354262092 /nfs/dbraw/zinc/26/20/92/354262092.db2.gz QDOWETVYWAKBNI-SDDRHHMPSA-N 2 1 253.346 -0.282 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000424218651 354220578 /nfs/dbraw/zinc/22/05/78/354220578.db2.gz VRONOMCRJPKSJC-NWDGAFQWSA-N 2 1 285.388 -0.722 20 0 CBADMP O=C(CC[N@H+]1CCC[C@@H](n2ccnn2)C1)N1CC[NH2+]CC1 ZINC000424289922 354222593 /nfs/dbraw/zinc/22/25/93/354222593.db2.gz CRWKYYUFEMYIPN-CYBMUJFWSA-N 2 1 292.387 -0.263 20 0 CBADMP CC[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000446365213 354286708 /nfs/dbraw/zinc/28/67/08/354286708.db2.gz VMDGDPCTWPSFFT-XQQFMLRXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000444265397 354267238 /nfs/dbraw/zinc/26/72/38/354267238.db2.gz GWQYRPKTQHGXOK-NWDGAFQWSA-N 2 1 254.378 -0.652 20 0 CBADMP CCC[NH2+][C@H](C)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000449152668 354318886 /nfs/dbraw/zinc/31/88/86/354318886.db2.gz ACSUTGLZGAUTJH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C2([NH3+])CCC2)C[C@@H]1C ZINC000449349560 354319661 /nfs/dbraw/zinc/31/96/61/354319661.db2.gz QUDUABGPTUHNCF-WDEREUQCSA-N 2 1 255.362 -0.219 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C2([NH3+])CCC2)C[C@@H]1C ZINC000449349560 354319665 /nfs/dbraw/zinc/31/96/65/354319665.db2.gz QUDUABGPTUHNCF-WDEREUQCSA-N 2 1 255.362 -0.219 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000449349092 354319987 /nfs/dbraw/zinc/31/99/87/354319987.db2.gz ONVQJWWUMYFPCP-YVECIDJPSA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000449349092 354319990 /nfs/dbraw/zinc/31/99/90/354319990.db2.gz ONVQJWWUMYFPCP-YVECIDJPSA-N 2 1 269.389 -0.245 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449694598 354321836 /nfs/dbraw/zinc/32/18/36/354321836.db2.gz HESYVUWBMHMJAG-OLZOCXBDSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@H](O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000450498888 354325878 /nfs/dbraw/zinc/32/58/78/354325878.db2.gz HEWKFIILUIPPEG-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000450498888 354325881 /nfs/dbraw/zinc/32/58/81/354325881.db2.gz HEWKFIILUIPPEG-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000451467544 354337531 /nfs/dbraw/zinc/33/75/31/354337531.db2.gz ZRNLNNZOYFXTKY-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1[C@@H](O)CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000451467544 354337535 /nfs/dbraw/zinc/33/75/35/354337535.db2.gz ZRNLNNZOYFXTKY-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C[NH3+])OC)C[C@H]1C ZINC000423877904 291026719 /nfs/dbraw/zinc/02/67/19/291026719.db2.gz DGNSSGZEVISWPN-GHMZBOCLSA-N 2 1 287.360 -0.944 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C[NH3+])OC)C[C@H]1C ZINC000423877904 291026720 /nfs/dbraw/zinc/02/67/20/291026720.db2.gz DGNSSGZEVISWPN-GHMZBOCLSA-N 2 1 287.360 -0.944 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C[NH3+])OC)C[C@@H]1C ZINC000423877908 291027443 /nfs/dbraw/zinc/02/74/43/291027443.db2.gz DGNSSGZEVISWPN-QWRGUYRKSA-N 2 1 287.360 -0.944 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C[NH3+])OC)C[C@@H]1C ZINC000423877908 291027444 /nfs/dbraw/zinc/02/74/44/291027444.db2.gz DGNSSGZEVISWPN-QWRGUYRKSA-N 2 1 287.360 -0.944 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000459904341 354393218 /nfs/dbraw/zinc/39/32/18/354393218.db2.gz ZYZREJHGIQGCJS-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000479290970 354407566 /nfs/dbraw/zinc/40/75/66/354407566.db2.gz XYTVHQZBFOMYNE-MGPQQGTHSA-N 2 1 281.400 -0.101 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000487190235 354413014 /nfs/dbraw/zinc/41/30/14/354413014.db2.gz QXDUTYVQOIOGOG-NEPJUHHUSA-N 2 1 257.378 -0.386 20 0 CBADMP CC[NH+](CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487190235 354413015 /nfs/dbraw/zinc/41/30/15/354413015.db2.gz QXDUTYVQOIOGOG-NEPJUHHUSA-N 2 1 257.378 -0.386 20 0 CBADMP CC[NH+](CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000487190235 354413017 /nfs/dbraw/zinc/41/30/17/354413017.db2.gz QXDUTYVQOIOGOG-NEPJUHHUSA-N 2 1 257.378 -0.386 20 0 CBADMP C[C@H](O)CN1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000487468602 354415383 /nfs/dbraw/zinc/41/53/83/354415383.db2.gz HANCIUPGOYEPOX-FRRDWIJNSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000487468602 354415385 /nfs/dbraw/zinc/41/53/85/354415385.db2.gz HANCIUPGOYEPOX-FRRDWIJNSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000487468602 354415388 /nfs/dbraw/zinc/41/53/88/354415388.db2.gz HANCIUPGOYEPOX-FRRDWIJNSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@H](O)CN1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000487468603 354415856 /nfs/dbraw/zinc/41/58/56/354415856.db2.gz HANCIUPGOYEPOX-RWMBFGLXSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000487468603 354415859 /nfs/dbraw/zinc/41/58/59/354415859.db2.gz HANCIUPGOYEPOX-RWMBFGLXSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000487468603 354415862 /nfs/dbraw/zinc/41/58/62/354415862.db2.gz HANCIUPGOYEPOX-RWMBFGLXSA-N 2 1 269.389 -0.291 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496109956 354532842 /nfs/dbraw/zinc/53/28/42/354532842.db2.gz YVACGUGUIJGLRA-WDEREUQCSA-N 2 1 291.392 -0.616 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)OC ZINC000496284888 354539665 /nfs/dbraw/zinc/53/96/65/354539665.db2.gz QIPLDZSIXLYSIP-SNVBAGLBSA-N 2 1 271.365 -0.059 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000519399618 354560989 /nfs/dbraw/zinc/56/09/89/354560989.db2.gz XMYCRWQUMWYVQZ-RQJABVFESA-N 2 1 279.384 -0.036 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000519531904 354561317 /nfs/dbraw/zinc/56/13/17/354561317.db2.gz JYBAZBKCWZMVNT-DGCLKSJQSA-N 2 1 296.415 -0.299 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CCCC[NH3+])C1 ZINC000519816619 354565654 /nfs/dbraw/zinc/56/56/54/354565654.db2.gz GVWDCCJZUJZBDN-LBPRGKRZSA-N 2 1 284.404 -0.181 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000520409789 354566735 /nfs/dbraw/zinc/56/67/35/354566735.db2.gz XBLQHNUVIRWIML-TUAOUCFPSA-N 2 1 256.394 -0.136 20 0 CBADMP C[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000525437681 354571397 /nfs/dbraw/zinc/57/13/97/354571397.db2.gz WPTXTXZSABCSDT-LBPRGKRZSA-N 2 1 296.415 -0.021 20 0 CBADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000529309034 354583442 /nfs/dbraw/zinc/58/34/42/354583442.db2.gz XSEGAETUCOGANK-ZIAGYGMSSA-N 2 1 297.447 -0.128 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000529406501 354585999 /nfs/dbraw/zinc/58/59/99/354585999.db2.gz BPUNKAQZLQHSAO-QWRGUYRKSA-N 2 1 252.318 -0.675 20 0 CBADMP CN(CC[NH+](C)C)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000534278508 354596760 /nfs/dbraw/zinc/59/67/60/354596760.db2.gz PERYZNUUWJTMDD-GFCCVEGCSA-N 2 1 254.378 -0.604 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000541818824 354627571 /nfs/dbraw/zinc/62/75/71/354627571.db2.gz GUVDISFMWVZHIX-ZDUSSCGKSA-N 2 1 285.436 -0.175 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000557242095 354685863 /nfs/dbraw/zinc/68/58/63/354685863.db2.gz ZWVRGSMTOWWWKY-ZIAGYGMSSA-N 2 1 297.447 -0.127 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000562831635 354688990 /nfs/dbraw/zinc/68/89/90/354688990.db2.gz HLGMIMRBYLXEMP-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000562831635 354688992 /nfs/dbraw/zinc/68/89/92/354688992.db2.gz HLGMIMRBYLXEMP-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000562984460 354690605 /nfs/dbraw/zinc/69/06/05/354690605.db2.gz LJCWDFTYRVTIRH-UMNHJUIQSA-N 2 1 259.325 -0.477 20 0 CBADMP C[C@@H]1CN(CCO)CCN1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000563034937 354692239 /nfs/dbraw/zinc/69/22/39/354692239.db2.gz DNWUYUHKZMWVHJ-CHWSQXEVSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000563034937 354692244 /nfs/dbraw/zinc/69/22/44/354692244.db2.gz DNWUYUHKZMWVHJ-CHWSQXEVSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000563034937 354692247 /nfs/dbraw/zinc/69/22/47/354692247.db2.gz DNWUYUHKZMWVHJ-CHWSQXEVSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000563034937 354692253 /nfs/dbraw/zinc/69/22/53/354692253.db2.gz DNWUYUHKZMWVHJ-CHWSQXEVSA-N 2 1 296.415 -0.069 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3COCC[NH2+]3)[C@H]2C1 ZINC000563085685 354695319 /nfs/dbraw/zinc/69/53/19/354695319.db2.gz WQEKWNCQMATYOS-UPJWGTAASA-N 2 1 267.373 -0.083 20 0 CBADMP [NH3+][C@@H](C(=O)NCC[N@@H+]1CCCOCC1)C1CCC1 ZINC000563096448 354695909 /nfs/dbraw/zinc/69/59/09/354695909.db2.gz GBMFDUOSHSQOCA-GFCCVEGCSA-N 2 1 255.362 -0.048 20 0 CBADMP [NH3+][C@@H](C(=O)NCC[N@H+]1CCCOCC1)C1CCC1 ZINC000563096448 354695910 /nfs/dbraw/zinc/69/59/10/354695910.db2.gz GBMFDUOSHSQOCA-GFCCVEGCSA-N 2 1 255.362 -0.048 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000563101904 354696960 /nfs/dbraw/zinc/69/69/60/354696960.db2.gz SOFMGTDQFNRWGQ-UHFFFAOYSA-N 2 1 281.364 -0.507 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000563109494 354697374 /nfs/dbraw/zinc/69/73/74/354697374.db2.gz HFYJELYTIGBBSQ-KGLIPLIRSA-N 2 1 290.367 -0.067 20 0 CBADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH2+]CC1 ZINC000563150066 354699554 /nfs/dbraw/zinc/69/95/54/354699554.db2.gz XUJKQVBOCLJHOU-STQMWFEESA-N 3 1 266.389 -0.650 20 0 CBADMP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH2+]CC1 ZINC000563150066 354699558 /nfs/dbraw/zinc/69/95/58/354699558.db2.gz XUJKQVBOCLJHOU-STQMWFEESA-N 3 1 266.389 -0.650 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563153894 354699783 /nfs/dbraw/zinc/69/97/83/354699783.db2.gz GGZOVGMYESTJOR-GHMZBOCLSA-N 2 1 255.362 -0.062 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563153666 354699846 /nfs/dbraw/zinc/69/98/46/354699846.db2.gz DMONATIIWCUNGD-GMTAPVOTSA-N 2 1 268.361 -0.109 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563153677 354699938 /nfs/dbraw/zinc/69/99/38/354699938.db2.gz DMONATIIWCUNGD-MXWKQRLJSA-N 2 1 268.361 -0.109 20 0 CBADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N1CC[NH2+]CC1 ZINC000563150014 354700059 /nfs/dbraw/zinc/70/00/59/354700059.db2.gz SYUMLXOSPCEQAK-QWHCGFSZSA-N 3 1 266.389 -0.508 20 0 CBADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N1CC[NH2+]CC1 ZINC000563150014 354700062 /nfs/dbraw/zinc/70/00/62/354700062.db2.gz SYUMLXOSPCEQAK-QWHCGFSZSA-N 3 1 266.389 -0.508 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000563203354 354702608 /nfs/dbraw/zinc/70/26/08/354702608.db2.gz WTUDYZNXGRUPQT-QWHCGFSZSA-N 2 1 296.415 -0.025 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000563203355 354703006 /nfs/dbraw/zinc/70/30/06/354703006.db2.gz WTUDYZNXGRUPQT-STQMWFEESA-N 2 1 296.415 -0.025 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000564732996 354715972 /nfs/dbraw/zinc/71/59/72/354715972.db2.gz KFHJBQMUDYDSPO-HIFRSBDPSA-N 3 1 298.431 -0.899 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000564957214 354722980 /nfs/dbraw/zinc/72/29/80/354722980.db2.gz FVAJGJNABIALRJ-MFKMUULPSA-N 2 1 286.351 -0.985 20 0 CBADMP COC[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000564988638 354724983 /nfs/dbraw/zinc/72/49/83/354724983.db2.gz KQDYJCKYGLVODN-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000564989875 354725000 /nfs/dbraw/zinc/72/50/00/354725000.db2.gz WABYEXPAIRKBOP-WDEREUQCSA-N 2 1 271.361 -0.323 20 0 CBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000564989249 354725054 /nfs/dbraw/zinc/72/50/54/354725054.db2.gz VRTAPYMCGAZWML-NSHDSACASA-N 2 1 298.387 -0.481 20 0 CBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000564989249 354725055 /nfs/dbraw/zinc/72/50/55/354725055.db2.gz VRTAPYMCGAZWML-NSHDSACASA-N 2 1 298.387 -0.481 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000565240438 354734606 /nfs/dbraw/zinc/73/46/06/354734606.db2.gz WSNCHCDRXWKFML-QJPTWQEYSA-N 3 1 252.362 -0.770 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000565999385 354749613 /nfs/dbraw/zinc/74/96/13/354749613.db2.gz OISOUJBXYMSKCM-HZSPNIEDSA-N 2 1 296.415 -0.042 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000566017418 354750774 /nfs/dbraw/zinc/75/07/74/354750774.db2.gz VJXLIFQUXFBIFZ-NWDGAFQWSA-N 3 1 254.378 -0.380 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)N1CCNCC1 ZINC000566017418 354750778 /nfs/dbraw/zinc/75/07/78/354750778.db2.gz VJXLIFQUXFBIFZ-NWDGAFQWSA-N 2 1 254.378 -0.380 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)N1CCNCC1 ZINC000566017418 354750779 /nfs/dbraw/zinc/75/07/79/354750779.db2.gz VJXLIFQUXFBIFZ-NWDGAFQWSA-N 2 1 254.378 -0.380 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000566163578 354754584 /nfs/dbraw/zinc/75/45/84/354754584.db2.gz YUKBPSHCFKEDBG-SCZZXKLOSA-N 2 1 255.318 -0.770 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000566163578 354754585 /nfs/dbraw/zinc/75/45/85/354754585.db2.gz YUKBPSHCFKEDBG-SCZZXKLOSA-N 2 1 255.318 -0.770 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000566178707 354755193 /nfs/dbraw/zinc/75/51/93/354755193.db2.gz GMVMJHPEXHHVQR-CQSZACIVSA-N 2 1 296.415 -0.217 20 0 CBADMP [NH3+]CCCn1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nn1 ZINC000566289088 354761784 /nfs/dbraw/zinc/76/17/84/354761784.db2.gz VPPADNRUVFHICC-YPMHNXCESA-N 2 1 292.387 -0.017 20 0 CBADMP [NH3+]CCCn1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)nn1 ZINC000566289085 354761989 /nfs/dbraw/zinc/76/19/89/354761989.db2.gz VPPADNRUVFHICC-WCQYABFASA-N 2 1 292.387 -0.017 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N(C)CCC[NH3+])C1CC1 ZINC000566511625 354769993 /nfs/dbraw/zinc/76/99/93/354769993.db2.gz WZWRJAJSGJNBCP-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000567613898 354791859 /nfs/dbraw/zinc/79/18/59/354791859.db2.gz SSUNPSPVUAQLHY-LPWJVIDDSA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000567598918 354791876 /nfs/dbraw/zinc/79/18/76/354791876.db2.gz XEAAMRGSJVRXLW-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@]1(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1 ZINC000567110361 354781577 /nfs/dbraw/zinc/78/15/77/354781577.db2.gz AROPHKQOHBZBJK-JSGCOSHPSA-N 3 1 268.405 -0.227 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000565254983 354734645 /nfs/dbraw/zinc/73/46/45/354734645.db2.gz RMBYZJKCFIVKNP-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)[C@H]2C1 ZINC000565255785 354735557 /nfs/dbraw/zinc/73/55/57/354735557.db2.gz UPHVZUMVDOKGGB-WOPDTQHZSA-N 2 1 280.372 -0.983 20 0 CBADMP CCO[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000565312047 354736132 /nfs/dbraw/zinc/73/61/32/354736132.db2.gz NWAKEROLHBFKBL-BFHYXJOUSA-N 2 1 290.404 -0.291 20 0 CBADMP CCO[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)CCOC ZINC000565312047 354736134 /nfs/dbraw/zinc/73/61/34/354736134.db2.gz NWAKEROLHBFKBL-BFHYXJOUSA-N 2 1 290.404 -0.291 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000565542703 354740707 /nfs/dbraw/zinc/74/07/07/354740707.db2.gz FQKZIOCILMQJJN-QWRGUYRKSA-N 2 1 271.361 -0.323 20 0 CBADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000565655452 354743386 /nfs/dbraw/zinc/74/33/86/354743386.db2.gz ZUJJNPLSGRDDBQ-VXGBXAGGSA-N 2 1 299.419 -0.425 20 0 CBADMP CCC[C@H](O)[C@H](CO)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000567872569 354801568 /nfs/dbraw/zinc/80/15/68/354801568.db2.gz BFGFHHRKKLOYSZ-AVGNSLFASA-N 2 1 260.378 -0.447 20 0 CBADMP CCC[C@H](O)[C@H](CO)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000567872569 354801572 /nfs/dbraw/zinc/80/15/72/354801572.db2.gz BFGFHHRKKLOYSZ-AVGNSLFASA-N 2 1 260.378 -0.447 20 0 CBADMP CCC[C@H](O)[C@H](CO)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000567872568 354801782 /nfs/dbraw/zinc/80/17/82/354801782.db2.gz BFGFHHRKKLOYSZ-AGIUHOORSA-N 2 1 260.378 -0.447 20 0 CBADMP CCC[C@H](O)[C@H](CO)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000567872568 354801785 /nfs/dbraw/zinc/80/17/85/354801785.db2.gz BFGFHHRKKLOYSZ-AGIUHOORSA-N 2 1 260.378 -0.447 20 0 CBADMP C[N@@H+](C[C@H](O)CNC[C@@H]1CCCC[NH+]1CCO)C1CC1 ZINC000567872828 354801950 /nfs/dbraw/zinc/80/19/50/354801950.db2.gz IBHAWZXRWAWCNR-LSDHHAIUSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000567872828 354801951 /nfs/dbraw/zinc/80/19/51/354801951.db2.gz IBHAWZXRWAWCNR-LSDHHAIUSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000567872828 354801953 /nfs/dbraw/zinc/80/19/53/354801953.db2.gz IBHAWZXRWAWCNR-LSDHHAIUSA-N 2 1 285.432 -0.122 20 0 CBADMP C[N@@H+](C[C@@H](O)CN[C@H](CO)C[NH+]1CCCC1)C1CC1 ZINC000567874436 354802612 /nfs/dbraw/zinc/80/26/12/354802612.db2.gz NQLGCIYXCDVRNL-JSGCOSHPSA-N 2 1 271.405 -0.512 20 0 CBADMP Cn1cc(C[C@H](CO)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cn1 ZINC000567874710 354802768 /nfs/dbraw/zinc/80/27/68/354802768.db2.gz UKFPOTQQYDTIOQ-ZFWWWQNUSA-N 2 1 296.415 -0.384 20 0 CBADMP Cn1cc(C[C@H](CO)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000567874710 354802769 /nfs/dbraw/zinc/80/27/69/354802769.db2.gz UKFPOTQQYDTIOQ-ZFWWWQNUSA-N 2 1 296.415 -0.384 20 0 CBADMP CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000567894868 354803235 /nfs/dbraw/zinc/80/32/35/354803235.db2.gz ZOZMPEOCJSGZSW-LLVKDONJSA-N 2 1 279.406 -0.636 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000567983161 354807262 /nfs/dbraw/zinc/80/72/62/354807262.db2.gz VLRIOSXZZKIEPP-YPMHNXCESA-N 2 1 284.404 -0.456 20 0 CBADMP C[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)CN1CC[NH+](C)CC1 ZINC000568095066 354810458 /nfs/dbraw/zinc/81/04/58/354810458.db2.gz XSLBHLANEMVKAJ-NFAWXSAZSA-N 2 1 280.416 -0.262 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000568110333 354811470 /nfs/dbraw/zinc/81/14/70/354811470.db2.gz UOMKXYSAZLFTIG-JTQLQIEISA-N 2 1 268.361 -0.983 20 0 CBADMP CC[C@@H](CO)[NH+]1CCN(C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000568165676 354812234 /nfs/dbraw/zinc/81/22/34/354812234.db2.gz UHUNZDKEUAUYRM-UONOGXRCSA-N 2 1 273.421 -0.313 20 0 CBADMP NC(=O)NC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000568501380 354825557 /nfs/dbraw/zinc/82/55/57/354825557.db2.gz KZPZRSHFINYMBD-VHSXEESVSA-N 2 1 254.334 -0.212 20 0 CBADMP NC(=O)NC(=O)CC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000568501380 354825559 /nfs/dbraw/zinc/82/55/59/354825559.db2.gz KZPZRSHFINYMBD-VHSXEESVSA-N 2 1 254.334 -0.212 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000568866254 354834236 /nfs/dbraw/zinc/83/42/36/354834236.db2.gz GLPVHJQWXWAMJU-NEPJUHHUSA-N 2 1 283.372 -0.451 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000568866254 354834238 /nfs/dbraw/zinc/83/42/38/354834238.db2.gz GLPVHJQWXWAMJU-NEPJUHHUSA-N 2 1 283.372 -0.451 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)CC2(C[NH3+])CC2)CC1 ZINC000571759102 354879318 /nfs/dbraw/zinc/87/93/18/354879318.db2.gz ADKMSTGZWJQOFQ-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000570666014 354866996 /nfs/dbraw/zinc/86/69/96/354866996.db2.gz SKXKQVNUPRVBTN-VXGBXAGGSA-N 2 1 270.377 -0.242 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000570666012 354867323 /nfs/dbraw/zinc/86/73/23/354867323.db2.gz SKXKQVNUPRVBTN-NWDGAFQWSA-N 2 1 270.377 -0.242 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000571031365 354875679 /nfs/dbraw/zinc/87/56/79/354875679.db2.gz IZYUNEXYCVOXMO-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000569101588 354838052 /nfs/dbraw/zinc/83/80/52/354838052.db2.gz ZKSAKUJTCYOVKU-INTQDDNPSA-N 2 1 269.345 -0.524 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000569101588 354838055 /nfs/dbraw/zinc/83/80/55/354838055.db2.gz ZKSAKUJTCYOVKU-INTQDDNPSA-N 2 1 269.345 -0.524 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000569101587 354838388 /nfs/dbraw/zinc/83/83/88/354838388.db2.gz ZKSAKUJTCYOVKU-DVVUODLYSA-N 2 1 269.345 -0.524 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000569101587 354838389 /nfs/dbraw/zinc/83/83/89/354838389.db2.gz ZKSAKUJTCYOVKU-DVVUODLYSA-N 2 1 269.345 -0.524 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(COC)CC[NH2+]C2)C1 ZINC000569218300 354840174 /nfs/dbraw/zinc/84/01/74/354840174.db2.gz YSMZFDXCTUMHEE-OCCSQVGLSA-N 2 1 285.388 -0.551 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@]2(COC)CC[NH2+]C2)C1 ZINC000569218301 354840220 /nfs/dbraw/zinc/84/02/20/354840220.db2.gz YSMZFDXCTUMHEE-TZMCWYRMSA-N 2 1 285.388 -0.551 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000569967540 354851987 /nfs/dbraw/zinc/85/19/87/354851987.db2.gz UGPXHNUOUBKZGT-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000570147392 354856087 /nfs/dbraw/zinc/85/60/87/354856087.db2.gz XFBDFNOQEFRYBC-QWHCGFSZSA-N 2 1 285.436 -0.001 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000570451619 354862020 /nfs/dbraw/zinc/86/20/20/354862020.db2.gz VMYQNXGOHARSFO-RYUDHWBXSA-N 2 1 256.394 -0.406 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000570451620 354862048 /nfs/dbraw/zinc/86/20/48/354862048.db2.gz VMYQNXGOHARSFO-VXGBXAGGSA-N 2 1 256.394 -0.406 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000572122990 354887356 /nfs/dbraw/zinc/88/73/56/354887356.db2.gz YSKAJWCCIREASH-SCZZXKLOSA-N 2 1 292.330 -0.849 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000572180999 354888110 /nfs/dbraw/zinc/88/81/10/354888110.db2.gz ZIAIFRPKRRINFN-QWRGUYRKSA-N 2 1 256.350 -0.944 20 0 CBADMP CCC[N@@H+](CC)CCNC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000572235682 354889260 /nfs/dbraw/zinc/88/92/60/354889260.db2.gz FRMNGEGDKOKCJO-HNNXBMFYSA-N 2 1 286.464 -0.084 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C[C@@H](C)O)C[C@@H]1C ZINC000572254788 354889782 /nfs/dbraw/zinc/88/97/82/354889782.db2.gz ZGKSXKMKRCQTNS-MJBXVCDLSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000572254788 354889787 /nfs/dbraw/zinc/88/97/87/354889787.db2.gz ZGKSXKMKRCQTNS-MJBXVCDLSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000572254788 354889792 /nfs/dbraw/zinc/88/97/92/354889792.db2.gz ZGKSXKMKRCQTNS-MJBXVCDLSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000572494539 354892115 /nfs/dbraw/zinc/89/21/15/354892115.db2.gz YQLYEMSPDLFIGK-GRYCIOLGSA-N 2 1 257.378 -0.067 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000572517317 354893173 /nfs/dbraw/zinc/89/31/73/354893173.db2.gz LZNSJKYPNMEWRQ-UTUOFQBUSA-N 2 1 282.388 -0.702 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)C[N@H+]1C1CC1 ZINC000572719345 354896226 /nfs/dbraw/zinc/89/62/26/354896226.db2.gz XFMFUGZKYVOQRB-GHMZBOCLSA-N 2 1 292.387 -0.018 20 0 CBADMP C[N@@H+](CCNC(=O)c1cn(CCCC[NH3+])nn1)C1CC1 ZINC000572837962 354899399 /nfs/dbraw/zinc/89/93/99/354899399.db2.gz KWHFPHDQULHPKX-UHFFFAOYSA-N 2 1 280.376 -0.159 20 0 CBADMP C[N@H+]1CC[C@H]2OCCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)[C@@H]2C1 ZINC000572869820 354899926 /nfs/dbraw/zinc/89/99/26/354899926.db2.gz RYSOGESUJZRILB-BYNQJWBRSA-N 2 1 265.357 -0.330 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000573241964 354907638 /nfs/dbraw/zinc/90/76/38/354907638.db2.gz WJBHHSXGTKWGGD-NWDGAFQWSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000573241965 354907875 /nfs/dbraw/zinc/90/78/75/354907875.db2.gz WJBHHSXGTKWGGD-RYUDHWBXSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000571778482 354880324 /nfs/dbraw/zinc/88/03/24/354880324.db2.gz LBJSBZXKNYVRHB-DGCLKSJQSA-N 2 1 292.387 -0.207 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1O ZINC000571819278 354880892 /nfs/dbraw/zinc/88/08/92/354880892.db2.gz UQNHQFHSLRPVST-KBPBESRZSA-N 2 1 292.383 -0.105 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@]12CCNC2=O ZINC000571818665 354881438 /nfs/dbraw/zinc/88/14/38/354881438.db2.gz SQCCVLWKDXIBRT-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@]12CCNC2=O ZINC000571818662 354881487 /nfs/dbraw/zinc/88/14/87/354881487.db2.gz SQCCVLWKDXIBRT-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP NC(=O)Cn1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)nn1 ZINC000573845515 354922636 /nfs/dbraw/zinc/92/26/36/354922636.db2.gz YLUIURYQHUNNCH-GFCCVEGCSA-N 2 1 292.387 -0.415 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)CN(C)CC(C)(C)CO ZINC000573860043 354922661 /nfs/dbraw/zinc/92/26/61/354922661.db2.gz KDJKYOSFYBEYDC-GFCCVEGCSA-N 2 1 262.394 -0.124 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)CC(C)(C)CO ZINC000573860043 354922664 /nfs/dbraw/zinc/92/26/64/354922664.db2.gz KDJKYOSFYBEYDC-GFCCVEGCSA-N 2 1 262.394 -0.124 20 0 CBADMP COCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000574200837 354930606 /nfs/dbraw/zinc/93/06/06/354930606.db2.gz ACLBNVCJMLHMEO-AWEZNQCLSA-N 2 1 299.415 -0.018 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000575049022 354933181 /nfs/dbraw/zinc/93/31/81/354933181.db2.gz LWXMFXNINYCMJM-OUAUKWLOSA-N 2 1 268.361 -0.820 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000575123747 354934372 /nfs/dbraw/zinc/93/43/72/354934372.db2.gz WMCSRPXKRNYOOJ-FIQHERPVSA-N 2 1 296.415 -0.030 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000575192815 354934715 /nfs/dbraw/zinc/93/47/15/354934715.db2.gz OJBMHHDTFSIYBX-AGIUHOORSA-N 2 1 287.404 -0.441 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000575192815 354934719 /nfs/dbraw/zinc/93/47/19/354934719.db2.gz OJBMHHDTFSIYBX-AGIUHOORSA-N 2 1 287.404 -0.441 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000343897610 291046585 /nfs/dbraw/zinc/04/65/85/291046585.db2.gz XIYLUHUAFZUXRT-GRYCIOLGSA-N 2 1 283.372 -0.038 20 0 CBADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)N[C@H]1CC[NH2+]C1 ZINC000579026262 354961125 /nfs/dbraw/zinc/96/11/25/354961125.db2.gz UPBVVNSRENSTFS-NWDGAFQWSA-N 2 1 270.377 -0.506 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CC2(C[NH3+])CC2)C1 ZINC000579118874 354962772 /nfs/dbraw/zinc/96/27/72/354962772.db2.gz XYEACSSZIZFDMQ-LBPRGKRZSA-N 2 1 296.415 -0.181 20 0 CBADMP OCC[C@H]1CSCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000579122713 354963043 /nfs/dbraw/zinc/96/30/43/354963043.db2.gz JJTNZTJGGNNZQL-LBPRGKRZSA-N 2 1 259.419 -0.309 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)CCCC[NH3+])CC1 ZINC000579471339 354971406 /nfs/dbraw/zinc/97/14/06/354971406.db2.gz VCCXFTDULMWMPV-UHFFFAOYSA-N 2 1 284.404 -0.262 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000579490671 354972144 /nfs/dbraw/zinc/97/21/44/354972144.db2.gz DDVGENQYJVGRTO-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000579490671 354972147 /nfs/dbraw/zinc/97/21/47/354972147.db2.gz DDVGENQYJVGRTO-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000579490671 354972149 /nfs/dbraw/zinc/97/21/49/354972149.db2.gz DDVGENQYJVGRTO-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP 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 354980104 /nfs/dbraw/zinc/98/01/04/354980104.db2.gz MZKDOZOUTTZUQW-VCDKRKBESA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCN2CCOCC2)C1 ZINC000579866225 354981829 /nfs/dbraw/zinc/98/18/29/354981829.db2.gz ZBXNFCSPDXMUNH-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCO)[C@@H](C)C1 ZINC000579854653 354982075 /nfs/dbraw/zinc/98/20/75/354982075.db2.gz HPUGAPUUDKFKCR-QWHCGFSZSA-N 2 1 259.394 -0.703 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000579854653 354982079 /nfs/dbraw/zinc/98/20/79/354982079.db2.gz HPUGAPUUDKFKCR-QWHCGFSZSA-N 2 1 259.394 -0.703 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000579968466 354984811 /nfs/dbraw/zinc/98/48/11/354984811.db2.gz AJUCQXHJSJNKRL-MCIONIFRSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000579968466 354984814 /nfs/dbraw/zinc/98/48/14/354984814.db2.gz AJUCQXHJSJNKRL-MCIONIFRSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000579968466 354984817 /nfs/dbraw/zinc/98/48/17/354984817.db2.gz AJUCQXHJSJNKRL-MCIONIFRSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000579968463 354985297 /nfs/dbraw/zinc/98/52/97/354985297.db2.gz AJUCQXHJSJNKRL-IHRRRGAJSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000579968463 354985299 /nfs/dbraw/zinc/98/52/99/354985299.db2.gz AJUCQXHJSJNKRL-IHRRRGAJSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000579968463 354985301 /nfs/dbraw/zinc/98/53/01/354985301.db2.gz AJUCQXHJSJNKRL-IHRRRGAJSA-N 2 1 273.421 -0.050 20 0 CBADMP CC(C)OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000580715241 354997025 /nfs/dbraw/zinc/99/70/25/354997025.db2.gz UIFYMGZTWVVWNU-QWHCGFSZSA-N 2 1 260.378 -0.181 20 0 CBADMP C[C@@H](Cn1cncn1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000584524834 355031247 /nfs/dbraw/zinc/03/12/47/355031247.db2.gz KPTDSRDFIRKUGD-JQWIXIFHSA-N 2 1 253.350 -0.289 20 0 CBADMP C[C@@H](Cn1cncn1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000584524834 355031249 /nfs/dbraw/zinc/03/12/49/355031249.db2.gz KPTDSRDFIRKUGD-JQWIXIFHSA-N 2 1 253.350 -0.289 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000584581144 355032063 /nfs/dbraw/zinc/03/20/63/355032063.db2.gz YTIMUTAQMWYWAL-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CCC1(O)CCOCC1)C1CC1 ZINC000584586603 355032915 /nfs/dbraw/zinc/03/29/15/355032915.db2.gz LNQIERDXZHHOQO-ZDUSSCGKSA-N 2 1 272.389 -0.037 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC1(O)CCOCC1)C1CC1 ZINC000584586603 355032920 /nfs/dbraw/zinc/03/29/20/355032920.db2.gz LNQIERDXZHHOQO-ZDUSSCGKSA-N 2 1 272.389 -0.037 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000584598420 355033068 /nfs/dbraw/zinc/03/30/68/355033068.db2.gz HUMQPZCFQJHFTF-KGLIPLIRSA-N 2 1 298.431 -0.458 20 0 CBADMP C[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000584604362 355033607 /nfs/dbraw/zinc/03/36/07/355033607.db2.gz MNTJKILIBVOHCN-XQQFMLRXSA-N 2 1 268.405 -0.169 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000584839041 355039877 /nfs/dbraw/zinc/03/98/77/355039877.db2.gz CRJLGLYRHLDWHY-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP 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 283069859 /nfs/dbraw/zinc/06/98/59/283069859.db2.gz UUDOSSXXRBETFT-LBELIVKGSA-N 2 1 264.373 -0.060 20 0 CBADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000581368355 355005492 /nfs/dbraw/zinc/00/54/92/355005492.db2.gz BYYATIQTIULSKF-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@@H](C)CN1 ZINC000582062566 355006434 /nfs/dbraw/zinc/00/64/34/355006434.db2.gz OWSSRWMQDUEHGG-AGIUHOORSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@@H](C)CN1 ZINC000582062566 355006436 /nfs/dbraw/zinc/00/64/36/355006436.db2.gz OWSSRWMQDUEHGG-AGIUHOORSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000582350472 355015042 /nfs/dbraw/zinc/01/50/42/355015042.db2.gz FBIMBNVEMSXPSZ-NWDGAFQWSA-N 2 1 294.399 -0.450 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000582428160 355016714 /nfs/dbraw/zinc/01/67/14/355016714.db2.gz BPAVYDWXOSKMJT-NFAWXSAZSA-N 2 1 299.415 -0.428 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000582428160 355016715 /nfs/dbraw/zinc/01/67/15/355016715.db2.gz BPAVYDWXOSKMJT-NFAWXSAZSA-N 2 1 299.415 -0.428 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000582428161 355017110 /nfs/dbraw/zinc/01/71/10/355017110.db2.gz BPAVYDWXOSKMJT-UMVBOHGHSA-N 2 1 299.415 -0.428 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000582428161 355017113 /nfs/dbraw/zinc/01/71/13/355017113.db2.gz BPAVYDWXOSKMJT-UMVBOHGHSA-N 2 1 299.415 -0.428 20 0 CBADMP CCC[NH2+][C@@H](C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000583992352 355026272 /nfs/dbraw/zinc/02/62/72/355026272.db2.gz GJDLEHJXIWNEMC-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)N1CC[NH+](C)CC1 ZINC000586754176 355052875 /nfs/dbraw/zinc/05/28/75/355052875.db2.gz WIGHRQCWZQTJNR-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)N1CC[NH+](C)CC1 ZINC000586754176 355052876 /nfs/dbraw/zinc/05/28/76/355052876.db2.gz WIGHRQCWZQTJNR-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000588975171 355063938 /nfs/dbraw/zinc/06/39/38/355063938.db2.gz FWSWJELQLRKSQA-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000588975171 355063939 /nfs/dbraw/zinc/06/39/39/355063939.db2.gz FWSWJELQLRKSQA-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000588975171 355063941 /nfs/dbraw/zinc/06/39/41/355063941.db2.gz FWSWJELQLRKSQA-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000591667694 355106539 /nfs/dbraw/zinc/10/65/39/355106539.db2.gz ODPPRWCCFXXTJU-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000591667694 355106543 /nfs/dbraw/zinc/10/65/43/355106543.db2.gz ODPPRWCCFXXTJU-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000591667694 355106547 /nfs/dbraw/zinc/10/65/47/355106547.db2.gz ODPPRWCCFXXTJU-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP NC(=O)NC(=O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000591726570 355111466 /nfs/dbraw/zinc/11/14/66/355111466.db2.gz PSTMUFPMFSHAOP-UWVGGRQHSA-N 2 1 254.334 -0.212 20 0 CBADMP CC[NH+](CC)CC[C@H](CO)[NH2+]CCC(=O)NC(N)=O ZINC000592431646 355154032 /nfs/dbraw/zinc/15/40/32/355154032.db2.gz VBECLLWMEDGRLU-SNVBAGLBSA-N 2 1 274.365 -0.746 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000592486436 355157136 /nfs/dbraw/zinc/15/71/36/355157136.db2.gz DQLVBFQYSDCGHA-MJBXVCDLSA-N 2 1 297.399 -0.314 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000592486436 355157140 /nfs/dbraw/zinc/15/71/40/355157140.db2.gz DQLVBFQYSDCGHA-MJBXVCDLSA-N 2 1 297.399 -0.314 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000592960363 355187361 /nfs/dbraw/zinc/18/73/61/355187361.db2.gz YVROBXPGWJENRI-SRVKXCTJSA-N 2 1 283.372 -0.038 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000592960363 355187365 /nfs/dbraw/zinc/18/73/65/355187365.db2.gz YVROBXPGWJENRI-SRVKXCTJSA-N 2 1 283.372 -0.038 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000592960364 355188162 /nfs/dbraw/zinc/18/81/62/355188162.db2.gz YVROBXPGWJENRI-TUAOUCFPSA-N 2 1 283.372 -0.038 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000592960364 355188165 /nfs/dbraw/zinc/18/81/65/355188165.db2.gz YVROBXPGWJENRI-TUAOUCFPSA-N 2 1 283.372 -0.038 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1C(=O)OC ZINC000593997882 355234169 /nfs/dbraw/zinc/23/41/69/355234169.db2.gz CUQLZDRWFAWJDU-UPJWGTAASA-N 2 1 288.388 -0.143 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1C(=O)OC ZINC000593997882 355234173 /nfs/dbraw/zinc/23/41/73/355234173.db2.gz CUQLZDRWFAWJDU-UPJWGTAASA-N 2 1 288.388 -0.143 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736265 355217095 /nfs/dbraw/zinc/21/70/95/355217095.db2.gz KTTAACBPRXQHBR-TUAOUCFPSA-N 2 1 298.387 -0.340 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593730160 355217404 /nfs/dbraw/zinc/21/74/04/355217404.db2.gz LALFQCSLTFHZSK-IJLUTSLNSA-N 2 1 298.387 -0.197 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594885733 355267720 /nfs/dbraw/zinc/26/77/20/355267720.db2.gz HMJKDVSWWDUIJT-QJPTWQEYSA-N 2 1 280.372 -0.759 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594885734 355268108 /nfs/dbraw/zinc/26/81/08/355268108.db2.gz HMJKDVSWWDUIJT-SDDRHHMPSA-N 2 1 280.372 -0.759 20 0 CBADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)NC(N)=O)C2 ZINC000595506444 355289605 /nfs/dbraw/zinc/28/96/05/355289605.db2.gz CIHVLMITLKKCIE-CYBMUJFWSA-N 2 1 268.361 -0.011 20 0 CBADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)NC(N)=O)C2 ZINC000595506444 355289608 /nfs/dbraw/zinc/28/96/08/355289608.db2.gz CIHVLMITLKKCIE-CYBMUJFWSA-N 2 1 268.361 -0.011 20 0 CBADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)NC(N)=O)C2 ZINC000595506444 355289610 /nfs/dbraw/zinc/28/96/10/355289610.db2.gz CIHVLMITLKKCIE-CYBMUJFWSA-N 2 1 268.361 -0.011 20 0 CBADMP COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000595892806 355314351 /nfs/dbraw/zinc/31/43/51/355314351.db2.gz NYXAMXNCFOEBTD-RYUDHWBXSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000595890181 355314649 /nfs/dbraw/zinc/31/46/49/355314649.db2.gz ZGIGBTPSDSFMBQ-SRVKXCTJSA-N 2 1 283.372 -0.181 20 0 CBADMP NC(=O)NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900733 355315662 /nfs/dbraw/zinc/31/56/62/355315662.db2.gz JJAVWGSQFPCHMR-NSHDSACASA-N 2 1 268.361 -0.107 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CC2([NH3+])CC2)C[C@H]1C ZINC000595956281 355327930 /nfs/dbraw/zinc/32/79/30/355327930.db2.gz LUEOMYFHKVVQIB-LLVKDONJSA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)CC2([NH3+])CC2)C[C@H]1C ZINC000595956281 355327934 /nfs/dbraw/zinc/32/79/34/355327934.db2.gz LUEOMYFHKVVQIB-LLVKDONJSA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000595955742 355328215 /nfs/dbraw/zinc/32/82/15/355328215.db2.gz HQLWDHBTMYFYCF-SRVKXCTJSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000595955742 355328217 /nfs/dbraw/zinc/32/82/17/355328217.db2.gz HQLWDHBTMYFYCF-SRVKXCTJSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@@H]1C ZINC000595958013 355328726 /nfs/dbraw/zinc/32/87/26/355328726.db2.gz XXVPLWNOVLECCG-SRVKXCTJSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@@H]1C ZINC000595958013 355328729 /nfs/dbraw/zinc/32/87/29/355328729.db2.gz XXVPLWNOVLECCG-SRVKXCTJSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000596068155 355340913 /nfs/dbraw/zinc/34/09/13/355340913.db2.gz VAIBSKGEAUEWOX-CKYFFXLPSA-N 2 1 256.346 -0.017 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000596068155 355340914 /nfs/dbraw/zinc/34/09/14/355340914.db2.gz VAIBSKGEAUEWOX-CKYFFXLPSA-N 2 1 256.346 -0.017 20 0 CBADMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000596106138 355343927 /nfs/dbraw/zinc/34/39/27/355343927.db2.gz PQPNPZLXTRWLCL-NDBYEHHHSA-N 3 1 266.389 -0.524 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000598680455 355449904 /nfs/dbraw/zinc/44/99/04/355449904.db2.gz BXJQKRVAHCETPT-SLEUVZQESA-N 2 1 295.383 -0.036 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000598680455 355449905 /nfs/dbraw/zinc/44/99/05/355449905.db2.gz BXJQKRVAHCETPT-SLEUVZQESA-N 2 1 295.383 -0.036 20 0 CBADMP C[N@H+](CCNC(=O)CN1CC[NH+](C)CC1)C1CC1 ZINC000599324079 355480083 /nfs/dbraw/zinc/48/00/83/355480083.db2.gz HJHGWTASKKFFGY-UHFFFAOYSA-N 2 1 254.378 -0.556 20 0 CBADMP C[N@@H+](CCNC(=O)CN1CC[NH+](C)CC1)C1CC1 ZINC000599324079 355480087 /nfs/dbraw/zinc/48/00/87/355480087.db2.gz HJHGWTASKKFFGY-UHFFFAOYSA-N 2 1 254.378 -0.556 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000601317592 355584707 /nfs/dbraw/zinc/58/47/07/355584707.db2.gz ZTRGGDJYLCJFOZ-CQSZACIVSA-N 2 1 297.447 -0.127 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@H]3CCCCO3)CCN2C1=O ZINC000601326934 355586172 /nfs/dbraw/zinc/58/61/72/355586172.db2.gz XXHYOUDGBFITRT-IJLUTSLNSA-N 2 1 253.346 -0.201 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@H]3CCCCO3)CCN2C1=O ZINC000601326934 355586175 /nfs/dbraw/zinc/58/61/75/355586175.db2.gz XXHYOUDGBFITRT-IJLUTSLNSA-N 2 1 253.346 -0.201 20 0 CBADMP COC(=O)CCNC(=O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000600712591 355562860 /nfs/dbraw/zinc/56/28/60/355562860.db2.gz YTGCWGVJKFRJLD-GHMZBOCLSA-N 2 1 271.361 -0.214 20 0 CBADMP COC(=O)c1cn(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)nn1 ZINC000600739790 355564341 /nfs/dbraw/zinc/56/43/41/355564341.db2.gz FTTDITZFGWXPHP-NSHDSACASA-N 2 1 297.359 -0.889 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000600747379 355564959 /nfs/dbraw/zinc/56/49/59/355564959.db2.gz WMVGVAYVTVYOMO-IJLUTSLNSA-N 2 1 256.346 -0.016 20 0 CBADMP COC(=O)COCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000600761586 355565687 /nfs/dbraw/zinc/56/56/87/355565687.db2.gz MFBMLOHWIFDZTR-NSHDSACASA-N 2 1 260.334 -0.778 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC3=CCCOC3)CCN2C1=O ZINC000600767690 355566138 /nfs/dbraw/zinc/56/61/38/355566138.db2.gz CDRDNMCCFWAVOZ-VXGBXAGGSA-N 2 1 251.330 -0.423 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC3=CCCOC3)CCN2C1=O ZINC000600767690 355566142 /nfs/dbraw/zinc/56/61/42/355566142.db2.gz CDRDNMCCFWAVOZ-VXGBXAGGSA-N 2 1 251.330 -0.423 20 0 CBADMP CCOC(=O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000600967853 355572195 /nfs/dbraw/zinc/57/21/95/355572195.db2.gz XHXMOCJAZDKUSV-UHFFFAOYSA-N 2 1 281.360 -0.193 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602472671 355652316 /nfs/dbraw/zinc/65/23/16/355652316.db2.gz JMOVLDQZHBDGHU-IBGZPJMESA-N 2 1 289.445 -0.057 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@@H]1C ZINC000602504292 355654494 /nfs/dbraw/zinc/65/44/94/355654494.db2.gz UARARAJUIXQMPX-GMXVVIOVSA-N 2 1 299.371 -0.802 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@@H]1C ZINC000602504292 355654496 /nfs/dbraw/zinc/65/44/96/355654496.db2.gz UARARAJUIXQMPX-GMXVVIOVSA-N 2 1 299.371 -0.802 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000602523737 355657485 /nfs/dbraw/zinc/65/74/85/355657485.db2.gz HOMLNXIZMNOHKD-UTUOFQBUSA-N 2 1 280.372 -0.901 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@H+]1C ZINC000602525153 355657605 /nfs/dbraw/zinc/65/76/05/355657605.db2.gz MYIGENHSSFIGML-YVECIDJPSA-N 2 1 294.399 -0.513 20 0 CBADMP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000602020009 355625907 /nfs/dbraw/zinc/62/59/07/355625907.db2.gz HQBIZCZQWXGYHF-CIUDSAMLSA-N 2 1 257.334 -0.750 20 0 CBADMP C[N@@H+](C[C@H](O)Cn1cc(CSCC[NH3+])nn1)C1CC1 ZINC000603259615 355701312 /nfs/dbraw/zinc/70/13/12/355701312.db2.gz MWCWABJCNKIJOB-LBPRGKRZSA-N 2 1 285.417 -0.075 20 0 CBADMP COC(=O)CCNC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603432387 355715237 /nfs/dbraw/zinc/71/52/37/355715237.db2.gz HYJFBROMZIZUFH-DTWKUNHWSA-N 2 1 257.334 -0.619 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000602891472 355681792 /nfs/dbraw/zinc/68/17/92/355681792.db2.gz NMBZZSRKMCKZBL-CYBMUJFWSA-N 2 1 286.376 -0.650 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH+](C)C)C1 ZINC000606618535 355740751 /nfs/dbraw/zinc/74/07/51/355740751.db2.gz GNHDNGVANMBYFL-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000612883767 355855155 /nfs/dbraw/zinc/85/51/55/355855155.db2.gz UQGHDXMUKRUEBC-AAEUAGOBSA-N 2 1 270.377 -0.242 20 0 CBADMP C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)[C@H]1C[N@H+](C)CCO1 ZINC000612898667 355855428 /nfs/dbraw/zinc/85/54/28/355855428.db2.gz ZDMMQLZFZBUHTF-DMDPSCGWSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)[C@H]1C[N@@H+](C)CCO1 ZINC000612898667 355855429 /nfs/dbraw/zinc/85/54/29/355855429.db2.gz ZDMMQLZFZBUHTF-DMDPSCGWSA-N 2 1 270.377 -0.243 20 0 CBADMP O=C(N[C@H]1CC12CC[NH2+]CC2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000612993765 355859683 /nfs/dbraw/zinc/85/96/83/355859683.db2.gz FJBFVGRZADSIRA-XQQFMLRXSA-N 2 1 294.399 -0.411 20 0 CBADMP O[C@H](COC[C@H]1CCCO1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613210948 355872575 /nfs/dbraw/zinc/87/25/75/355872575.db2.gz UPQCRRPCPRZPKQ-RFQIPJPRSA-N 2 1 270.373 -0.306 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@H](CO)C[NH+](C)C)CC1 ZINC000614846470 355988707 /nfs/dbraw/zinc/98/87/07/355988707.db2.gz HPQVHWRGOARURC-ZDUSSCGKSA-N 2 1 286.420 -0.947 20 0 CBADMP C[C@@H](C(=O)N1CC(C[NH+]2CCOCC2)C1)[NH+](C)C ZINC000615144882 356011061 /nfs/dbraw/zinc/01/10/61/356011061.db2.gz IEULTGFGBXYQED-NSHDSACASA-N 2 1 255.362 -0.273 20 0 CBADMP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000615307081 356020371 /nfs/dbraw/zinc/02/03/71/356020371.db2.gz CRVXOXHITCGQLE-STQMWFEESA-N 2 1 268.405 -0.215 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000616703153 356109972 /nfs/dbraw/zinc/10/99/72/356109972.db2.gz QJWFVVQJNLCASF-WDEREUQCSA-N 2 1 253.346 -0.642 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000616703153 356109975 /nfs/dbraw/zinc/10/99/75/356109975.db2.gz QJWFVVQJNLCASF-WDEREUQCSA-N 2 1 253.346 -0.642 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+](C)C ZINC000617756965 356154389 /nfs/dbraw/zinc/15/43/89/356154389.db2.gz RUUGYGTYPGNAIL-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(=O)N1 ZINC000617503345 356139578 /nfs/dbraw/zinc/13/95/78/356139578.db2.gz FQBMJWJEIWVIPW-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(=O)N1 ZINC000617503345 356139582 /nfs/dbraw/zinc/13/95/82/356139582.db2.gz FQBMJWJEIWVIPW-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC000617508220 356140509 /nfs/dbraw/zinc/14/05/09/356140509.db2.gz YLOISJIJFUFPLW-YNEHKIRRSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC000617508220 356140511 /nfs/dbraw/zinc/14/05/11/356140511.db2.gz YLOISJIJFUFPLW-YNEHKIRRSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC[C@H]1C(N)=O ZINC000617508219 356141066 /nfs/dbraw/zinc/14/10/66/356141066.db2.gz YLOISJIJFUFPLW-XQQFMLRXSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC[C@H]1C(N)=O ZINC000617508219 356141072 /nfs/dbraw/zinc/14/10/72/356141072.db2.gz YLOISJIJFUFPLW-XQQFMLRXSA-N 2 1 298.431 -0.114 20 0 CBADMP CCN(C(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1CC[N@@H+](C)C1 ZINC000617553680 356141816 /nfs/dbraw/zinc/14/18/16/356141816.db2.gz NXZJSFVEYOIWHC-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP CCN(C(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CC[NH+](C)C1 ZINC000617553680 356141821 /nfs/dbraw/zinc/14/18/21/356141821.db2.gz NXZJSFVEYOIWHC-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP CCN(C(=O)[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1CC[NH+](C)C1 ZINC000617553680 356141826 /nfs/dbraw/zinc/14/18/26/356141826.db2.gz NXZJSFVEYOIWHC-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618299804 356185830 /nfs/dbraw/zinc/18/58/30/356185830.db2.gz ALMBIVHOIVDQIC-UHFFFAOYSA-N 2 1 295.387 -0.330 20 0 CBADMP Nc1nc(N)[nH+]c(NCC2CC[NH+](C3CC3)CC2)n1 ZINC000624162162 356399917 /nfs/dbraw/zinc/39/99/17/356399917.db2.gz QRAMLFNQUIUISD-UHFFFAOYSA-N 2 1 263.349 -0.595 20 0 CBADMP Nc1nc(N)[nH+]c(N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000623812360 356377087 /nfs/dbraw/zinc/37/70/87/356377087.db2.gz SZALFFZZINMIAG-UHFFFAOYSA-N 2 1 272.316 -0.582 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCCNc1nc(N)[nH+]c(N)n1 ZINC000623810187 356377155 /nfs/dbraw/zinc/37/71/55/356377155.db2.gz MPNQBWYUJFYQLA-VIFPVBQESA-N 2 1 265.365 -0.205 20 0 CBADMP C[C@H]1CCCC[N@@H+]1CCCNc1nc(N)nc(N)[nH+]1 ZINC000623810187 356377157 /nfs/dbraw/zinc/37/71/57/356377157.db2.gz MPNQBWYUJFYQLA-VIFPVBQESA-N 2 1 265.365 -0.205 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCCNc1nc(N)nc(N)[nH+]1 ZINC000623810187 356377159 /nfs/dbraw/zinc/37/71/59/356377159.db2.gz MPNQBWYUJFYQLA-VIFPVBQESA-N 2 1 265.365 -0.205 20 0 CBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNc2nc(N)[nH+]c(N)n2)C1 ZINC000623864305 356380106 /nfs/dbraw/zinc/38/01/06/356380106.db2.gz LNQJOQWJZBPNNV-AOOOYVTPSA-N 2 1 279.392 -0.101 20 0 CBADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2nc(N)nc(N)[nH+]2)C1 ZINC000623864305 356380109 /nfs/dbraw/zinc/38/01/09/356380109.db2.gz LNQJOQWJZBPNNV-AOOOYVTPSA-N 2 1 279.392 -0.101 20 0 CBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNc2nc(N)nc(N)[nH+]2)C1 ZINC000623864305 356380111 /nfs/dbraw/zinc/38/01/11/356380111.db2.gz LNQJOQWJZBPNNV-AOOOYVTPSA-N 2 1 279.392 -0.101 20 0 CBADMP C[NH+](C)CC1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000623868646 356380486 /nfs/dbraw/zinc/38/04/86/356380486.db2.gz CHNPNVDDJZLYRO-UHFFFAOYSA-N 2 1 251.338 -0.525 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)c1nc(N)[nH+]c(N)n1 ZINC000623974424 356385579 /nfs/dbraw/zinc/38/55/79/356385579.db2.gz DYZDJYBXGASOJX-QMMMGPOBSA-N 2 1 251.338 -0.525 20 0 CBADMP CC[NH+](CC)C[C@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624005361 356388169 /nfs/dbraw/zinc/38/81/69/356388169.db2.gz OUHZHZKANLSJHB-SECBINFHSA-N 2 1 265.365 -0.135 20 0 CBADMP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc(N)nc(N)[nH+]1 ZINC000624016690 356389741 /nfs/dbraw/zinc/38/97/41/356389741.db2.gz BFUOSESMXAWZAC-UHFFFAOYSA-N 3 1 296.423 -0.593 20 0 CBADMP C[NH+](C)CC1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000624057571 356393297 /nfs/dbraw/zinc/39/32/97/356393297.db2.gz PPFBGBIDBJCPKQ-UHFFFAOYSA-N 2 1 265.365 -0.349 20 0 CBADMP C[NH+]1CCC([C@H]2CCN(c3nc(N)nc(N)[nH+]3)C2)CC1 ZINC000624065102 356394835 /nfs/dbraw/zinc/39/48/35/356394835.db2.gz XEQQLIUZFIWQJZ-JTQLQIEISA-N 2 1 277.376 -0.135 20 0 CBADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(=O)n(C)c1=O ZINC000623656240 356370087 /nfs/dbraw/zinc/37/00/87/356370087.db2.gz PVCZGSRTCRFPPV-LBPRGKRZSA-N 2 1 294.399 -0.095 20 0 CBADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(=O)n(C)c1=O ZINC000623656240 356370091 /nfs/dbraw/zinc/37/00/91/356370091.db2.gz PVCZGSRTCRFPPV-LBPRGKRZSA-N 2 1 294.399 -0.095 20 0 CBADMP Nc1nc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)nc(N)[nH+]1 ZINC000624375463 356414899 /nfs/dbraw/zinc/41/48/99/356414899.db2.gz QQNKDVMLDVIJKJ-IUCAKERBSA-N 2 1 263.349 -0.453 20 0 CBADMP Nc1nc(N)[nH+]c(NC2CC([NH+]3CCCCC3)C2)n1 ZINC000624177264 356401184 /nfs/dbraw/zinc/40/11/84/356401184.db2.gz AADPXQICMKOKRL-UHFFFAOYSA-N 2 1 263.349 -0.453 20 0 CBADMP CCC[N@@H+](CC)C[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624233980 356406004 /nfs/dbraw/zinc/40/60/04/356406004.db2.gz KVUOLBGGSDCFQN-MRVPVSSYSA-N 2 1 253.354 -0.349 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038887 356503738 /nfs/dbraw/zinc/50/37/38/356503738.db2.gz GWRMRGIUPKKGPL-TXEJJXNPSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038887 356503741 /nfs/dbraw/zinc/50/37/41/356503741.db2.gz GWRMRGIUPKKGPL-TXEJJXNPSA-N 2 1 282.388 -0.654 20 0 CBADMP CC(C)[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000626929461 356557332 /nfs/dbraw/zinc/55/73/32/356557332.db2.gz NIQDJYXIHVLPNH-ZIAGYGMSSA-N 2 1 297.447 -0.081 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000626950670 356558762 /nfs/dbraw/zinc/55/87/62/356558762.db2.gz YHYBPDCSBYVMGR-LLVKDONJSA-N 2 1 270.377 -0.112 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626965432 356560660 /nfs/dbraw/zinc/56/06/60/356560660.db2.gz DUJXXEWWCXYGSN-WDEREUQCSA-N 2 1 258.366 -0.386 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000626979251 356562643 /nfs/dbraw/zinc/56/26/43/356562643.db2.gz VBJVUWPNXDXZGK-CHWSQXEVSA-N 2 1 295.431 -0.184 20 0 CBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000626979251 356562645 /nfs/dbraw/zinc/56/26/45/356562645.db2.gz VBJVUWPNXDXZGK-CHWSQXEVSA-N 2 1 295.431 -0.184 20 0 CBADMP C[NH2+]CCOCCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000626975922 356561771 /nfs/dbraw/zinc/56/17/71/356561771.db2.gz JCQNPZDRDZXPHT-UHFFFAOYSA-N 2 1 258.366 -0.384 20 0 CBADMP CCN(CC[NH3+])C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000627003103 356566172 /nfs/dbraw/zinc/56/61/72/356566172.db2.gz GYTKKJNDCSMIOP-WDEREUQCSA-N 2 1 258.366 -0.304 20 0 CBADMP CCN(CC[NH3+])C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000627003103 356566174 /nfs/dbraw/zinc/56/61/74/356566174.db2.gz GYTKKJNDCSMIOP-WDEREUQCSA-N 2 1 258.366 -0.304 20 0 CBADMP CCN(CC[NH3+])C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000626982504 356563735 /nfs/dbraw/zinc/56/37/35/356563735.db2.gz JGJURBLPHNCTIH-LLVKDONJSA-N 2 1 258.366 -0.303 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000627158800 356590908 /nfs/dbraw/zinc/59/09/08/356590908.db2.gz DWWSJRIQGOAEPK-RWMBFGLXSA-N 2 1 284.404 -0.165 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000627158800 356590912 /nfs/dbraw/zinc/59/09/12/356590912.db2.gz DWWSJRIQGOAEPK-RWMBFGLXSA-N 2 1 284.404 -0.165 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000627163872 356591946 /nfs/dbraw/zinc/59/19/46/356591946.db2.gz WIPSKMAHZLNGND-DMDPSCGWSA-N 2 1 270.377 -0.507 20 0 CBADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCOCC[NH2+]C ZINC000627171650 356593421 /nfs/dbraw/zinc/59/34/21/356593421.db2.gz FYGYHMNNYOJBFE-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C[C@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC000627070016 356573872 /nfs/dbraw/zinc/57/38/72/356573872.db2.gz URYLMNZAZLQEDD-RWMBFGLXSA-N 2 1 284.404 -0.260 20 0 CBADMP C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC000627070011 356573897 /nfs/dbraw/zinc/57/38/97/356573897.db2.gz URYLMNZAZLQEDD-FRRDWIJNSA-N 2 1 284.404 -0.260 20 0 CBADMP [NH3+]C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000627077226 356575734 /nfs/dbraw/zinc/57/57/34/356575734.db2.gz XPZNKERJXMOYPK-GHMZBOCLSA-N 2 1 256.350 -0.911 20 0 CBADMP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627079917 356576012 /nfs/dbraw/zinc/57/60/12/356576012.db2.gz XXWMQRMDIMYZPC-UPJWGTAASA-N 2 1 284.404 -0.130 20 0 CBADMP CCCC[C@@H](C[NH3+])NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627079964 356576063 /nfs/dbraw/zinc/57/60/63/356576063.db2.gz MCMMKYPNJDCWFA-RYUDHWBXSA-N 2 1 272.393 -0.130 20 0 CBADMP CCCC[C@H](C[NH3+])NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627079966 356576676 /nfs/dbraw/zinc/57/66/76/356576676.db2.gz MCMMKYPNJDCWFA-VXGBXAGGSA-N 2 1 272.393 -0.130 20 0 CBADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627086154 356578989 /nfs/dbraw/zinc/57/89/89/356578989.db2.gz IXTMLCSLJPGBHR-SRVKXCTJSA-N 2 1 270.377 -0.650 20 0 CBADMP C[C@@H](CCCC[NH3+])NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627093891 356582115 /nfs/dbraw/zinc/58/21/15/356582115.db2.gz VJRJIYCUROFCTR-NWDGAFQWSA-N 2 1 272.393 -0.130 20 0 CBADMP [NH3+]C1(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)CCCC1 ZINC000627113840 356585933 /nfs/dbraw/zinc/58/59/33/356585933.db2.gz NVBKGMDJDUFHNC-NSHDSACASA-N 2 1 270.377 -0.376 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000627126444 356586689 /nfs/dbraw/zinc/58/66/89/356586689.db2.gz FYUONHYHKPMQRB-YNEHKIRRSA-N 2 1 294.399 -0.269 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000627246282 356611156 /nfs/dbraw/zinc/61/11/56/356611156.db2.gz QJKZCCGAZDFDGS-QNWHQSFQSA-N 2 1 284.404 -0.167 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000627245944 356611209 /nfs/dbraw/zinc/61/12/09/356611209.db2.gz MKAGIXJMIFZNPP-RWMBFGLXSA-N 2 1 284.404 -0.117 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000627246121 356611264 /nfs/dbraw/zinc/61/12/64/356611264.db2.gz WJUOPHBCOFKIQD-NNYUYHANSA-N 2 1 268.361 -0.803 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000627245945 356611327 /nfs/dbraw/zinc/61/13/27/356611327.db2.gz MKAGIXJMIFZNPP-YNEHKIRRSA-N 2 1 284.404 -0.117 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000627247302 356611970 /nfs/dbraw/zinc/61/19/70/356611970.db2.gz JCFVNUCLIFKVDG-OLZOCXBDSA-N 2 1 282.388 -0.146 20 0 CBADMP C[C@@H](C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000627258748 356616357 /nfs/dbraw/zinc/61/63/57/356616357.db2.gz GPFUKRFWVZOCBB-QJPTWQEYSA-N 2 1 255.362 -0.396 20 0 CBADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)N[C@@H]1CC[NH2+]C1 ZINC000627251643 356613830 /nfs/dbraw/zinc/61/38/30/356613830.db2.gz UPBVVNSRENSTFS-NEPJUHHUSA-N 2 1 270.377 -0.506 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)CCc2cncn2C)CC1 ZINC000328818201 202070671 /nfs/dbraw/zinc/07/06/71/202070671.db2.gz HBKOWNYXHSCUOH-GFCCVEGCSA-N 2 1 280.372 -0.122 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C[NH2+]1 ZINC000627207832 356605390 /nfs/dbraw/zinc/60/53/90/356605390.db2.gz DELPIAAWEXTADZ-UTUOFQBUSA-N 2 1 270.377 -0.507 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627349710 356630704 /nfs/dbraw/zinc/63/07/04/356630704.db2.gz WTONFCMSXDFDTO-UMNHJUIQSA-N 2 1 280.372 -0.937 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000627379869 356635778 /nfs/dbraw/zinc/63/57/78/356635778.db2.gz AACUWSXYLJQPMC-CYZMBNFOSA-N 2 1 294.399 -0.547 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000627385189 356635815 /nfs/dbraw/zinc/63/58/15/356635815.db2.gz CAEIUYLVKOWVBZ-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000627357244 356631619 /nfs/dbraw/zinc/63/16/19/356631619.db2.gz BCVFBOJNWOQCTP-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000627258907 356616770 /nfs/dbraw/zinc/61/67/70/356616770.db2.gz JGCZUHKBGAPBAY-MCIONIFRSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000627258907 356616771 /nfs/dbraw/zinc/61/67/71/356616771.db2.gz JGCZUHKBGAPBAY-MCIONIFRSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000627258907 356616772 /nfs/dbraw/zinc/61/67/72/356616772.db2.gz JGCZUHKBGAPBAY-MCIONIFRSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000627258907 356616773 /nfs/dbraw/zinc/61/67/73/356616773.db2.gz JGCZUHKBGAPBAY-MCIONIFRSA-N 2 1 297.399 -0.625 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000627266797 356617550 /nfs/dbraw/zinc/61/75/50/356617550.db2.gz FWXXBHFQLYGCCQ-MGPQQGTHSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000627266797 356617551 /nfs/dbraw/zinc/61/75/51/356617551.db2.gz FWXXBHFQLYGCCQ-MGPQQGTHSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000627266797 356617553 /nfs/dbraw/zinc/61/75/53/356617553.db2.gz FWXXBHFQLYGCCQ-MGPQQGTHSA-N 2 1 281.400 -0.004 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000627377062 356635301 /nfs/dbraw/zinc/63/53/01/356635301.db2.gz XFYARMKPGNXYHN-LLVKDONJSA-N 2 1 282.388 -0.440 20 0 CBADMP 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 356622574 /nfs/dbraw/zinc/62/25/74/356622574.db2.gz DZEJIAVPZJILGW-VOAKCMCISA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000627377151 356635366 /nfs/dbraw/zinc/63/53/66/356635366.db2.gz ZZGOEMNPXCFVLI-NTZNESFSSA-N 2 1 294.399 -0.380 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000627308096 356624424 /nfs/dbraw/zinc/62/44/24/356624424.db2.gz GNGGYBNJPQMAAK-YNEHKIRRSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000627319140 356625830 /nfs/dbraw/zinc/62/58/30/356625830.db2.gz KVBBVGJZCHAFQI-ZDUSSCGKSA-N 2 1 296.415 -0.347 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000627425238 356644423 /nfs/dbraw/zinc/64/44/23/356644423.db2.gz IZEVYQFQXKHYLK-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000627425232 356644454 /nfs/dbraw/zinc/64/44/54/356644454.db2.gz IXKCTUYCXQEEAO-FRRDWIJNSA-N 2 1 294.399 -0.402 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000627457149 356649306 /nfs/dbraw/zinc/64/93/06/356649306.db2.gz LYKXHLBGDMHRSO-SDDRHHMPSA-N 2 1 282.388 -0.547 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000627398677 356638799 /nfs/dbraw/zinc/63/87/99/356638799.db2.gz TWANVDXTVMUFGA-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000627398873 356639213 /nfs/dbraw/zinc/63/92/13/356639213.db2.gz YRVBNFHBNCKCKP-UTUOFQBUSA-N 2 1 280.372 -0.793 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627504127 356660331 /nfs/dbraw/zinc/66/03/31/356660331.db2.gz WTZBHCZQZJRXMY-XQQFMLRXSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000627505378 356660926 /nfs/dbraw/zinc/66/09/26/356660926.db2.gz LJUNWYRFDXEUEU-UPJWGTAASA-N 2 1 294.399 -0.593 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000627506831 356661769 /nfs/dbraw/zinc/66/17/69/356661769.db2.gz LFILEQYNFVCRDR-YNEHKIRRSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627502155 356659143 /nfs/dbraw/zinc/65/91/43/356659143.db2.gz MKHXDRLDBWSBRN-QJPTWQEYSA-N 2 1 282.388 -0.547 20 0 CBADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC000627651995 356667455 /nfs/dbraw/zinc/66/74/55/356667455.db2.gz MJCNFUVPDONPEK-KXNHARMFSA-N 2 1 253.346 -0.665 20 0 CBADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC000627651995 356667457 /nfs/dbraw/zinc/66/74/57/356667457.db2.gz MJCNFUVPDONPEK-KXNHARMFSA-N 2 1 253.346 -0.665 20 0 CBADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC000627651996 356667463 /nfs/dbraw/zinc/66/74/63/356667463.db2.gz MJCNFUVPDONPEK-WHOHXGKFSA-N 2 1 253.346 -0.665 20 0 CBADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC000627651996 356667465 /nfs/dbraw/zinc/66/74/65/356667465.db2.gz MJCNFUVPDONPEK-WHOHXGKFSA-N 2 1 253.346 -0.665 20 0 CBADMP NC(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)O1 ZINC000629567895 356781185 /nfs/dbraw/zinc/78/11/85/356781185.db2.gz GVJIHDUZDVJFFQ-SRVKXCTJSA-N 2 1 271.361 -0.934 20 0 CBADMP C[C@H]1COCCN1CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629560855 356779256 /nfs/dbraw/zinc/77/92/56/356779256.db2.gz YHUCPEDSDUAFEK-UONOGXRCSA-N 2 1 271.405 -0.247 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629165968 356748922 /nfs/dbraw/zinc/74/89/22/356748922.db2.gz OUWWFPNMUXTHRY-LLVKDONJSA-N 2 1 252.318 -0.626 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629165968 356748924 /nfs/dbraw/zinc/74/89/24/356748924.db2.gz OUWWFPNMUXTHRY-LLVKDONJSA-N 2 1 252.318 -0.626 20 0 CBADMP Nc1ncccc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000629513739 356775788 /nfs/dbraw/zinc/77/57/88/356775788.db2.gz VCHWAPDSQGEWKQ-GFCCVEGCSA-N 2 1 277.372 -0.049 20 0 CBADMP C[C@H](NCCC[N@@H+]1CCC[C@H]1C(N)=O)C1C[NH2+]C1 ZINC000629515542 356775853 /nfs/dbraw/zinc/77/58/53/356775853.db2.gz RLYVMLAPHSHLIB-JQWIXIFHSA-N 2 1 254.378 -0.476 20 0 CBADMP C[C@H](NCCC[N@H+]1CCC[C@H]1C(N)=O)C1C[NH2+]C1 ZINC000629515542 356775858 /nfs/dbraw/zinc/77/58/58/356775858.db2.gz RLYVMLAPHSHLIB-JQWIXIFHSA-N 2 1 254.378 -0.476 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000629512185 356776175 /nfs/dbraw/zinc/77/61/75/356776175.db2.gz BKLNIQPWLYAJDQ-UTUOFQBUSA-N 2 1 254.378 -0.204 20 0 CBADMP CCOC[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629656288 356789049 /nfs/dbraw/zinc/78/90/49/356789049.db2.gz PCJBBXBJILUMHK-KBPBESRZSA-N 2 1 299.415 -0.079 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000629652675 356789143 /nfs/dbraw/zinc/78/91/43/356789143.db2.gz BXCPYLYIVDFOQQ-RWMBFGLXSA-N 2 1 268.405 -0.086 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000629785710 356792510 /nfs/dbraw/zinc/79/25/10/356792510.db2.gz DMLCDZROWZHNPJ-UHFFFAOYSA-N 2 1 284.404 -0.406 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000629788197 356792628 /nfs/dbraw/zinc/79/26/28/356792628.db2.gz NHMGZIKEDIQAES-UHFFFAOYSA-N 2 1 270.377 -0.652 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000629791782 356793304 /nfs/dbraw/zinc/79/33/04/356793304.db2.gz QYHJCEUQEROPQY-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000629790295 356793318 /nfs/dbraw/zinc/79/33/18/356793318.db2.gz CPVHNJXQEOOZQG-LBPRGKRZSA-N 2 1 284.404 -0.406 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000629798819 356795147 /nfs/dbraw/zinc/79/51/47/356795147.db2.gz LGYYMTXABFQPRV-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000629798847 356795519 /nfs/dbraw/zinc/79/55/19/356795519.db2.gz LSQHJNDNRLSSBN-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000629798846 356795632 /nfs/dbraw/zinc/79/56/32/356795632.db2.gz LSQHJNDNRLSSBN-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000629801884 356796457 /nfs/dbraw/zinc/79/64/57/356796457.db2.gz DAXXVQFKUNMTSS-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000629812923 356798586 /nfs/dbraw/zinc/79/85/86/356798586.db2.gz XQBYNJDKUWPYME-AWEZNQCLSA-N 2 1 282.388 -0.652 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000629812153 356798682 /nfs/dbraw/zinc/79/86/82/356798682.db2.gz MXQOFIPLGDRAJL-OAHLLOKOSA-N 2 1 296.415 -0.262 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)CC2 ZINC000629917241 356809379 /nfs/dbraw/zinc/80/93/79/356809379.db2.gz RBHBGYFYQAUNMQ-JSGCOSHPSA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)CC2 ZINC000629917241 356809382 /nfs/dbraw/zinc/80/93/82/356809382.db2.gz RBHBGYFYQAUNMQ-JSGCOSHPSA-N 2 1 292.383 -0.063 20 0 CBADMP C[N@H+](CC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)C1CCC1 ZINC000630009719 356816553 /nfs/dbraw/zinc/81/65/53/356816553.db2.gz FANPOVAZWLVLCQ-CYBMUJFWSA-N 2 1 267.373 -0.252 20 0 CBADMP C[N@@H+](CC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)C1CCC1 ZINC000630009719 356816556 /nfs/dbraw/zinc/81/65/56/356816556.db2.gz FANPOVAZWLVLCQ-CYBMUJFWSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+](CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)C1CCC1 ZINC000630009719 356816559 /nfs/dbraw/zinc/81/65/59/356816559.db2.gz FANPOVAZWLVLCQ-CYBMUJFWSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+](CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)C1CCC1 ZINC000630009719 356816563 /nfs/dbraw/zinc/81/65/63/356816563.db2.gz FANPOVAZWLVLCQ-CYBMUJFWSA-N 2 1 267.373 -0.252 20 0 CBADMP C[N@@H+](CC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CCC1 ZINC000630015955 356817643 /nfs/dbraw/zinc/81/76/43/356817643.db2.gz AUETZDBZHZDVTH-QWHCGFSZSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)O1 ZINC000630090826 356827501 /nfs/dbraw/zinc/82/75/01/356827501.db2.gz LAZYYOKPRLZHRY-OPDFLTKYSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)O1 ZINC000630090826 356827505 /nfs/dbraw/zinc/82/75/05/356827505.db2.gz LAZYYOKPRLZHRY-OPDFLTKYSA-N 2 1 267.373 -0.036 20 0 CBADMP C[N@@H+](CCOCC[NH3+])CCN1C(=O)NC2(CCCC2)C1=O ZINC000629577828 356781622 /nfs/dbraw/zinc/78/16/22/356781622.db2.gz CYGRYLLXZXKXSH-UHFFFAOYSA-N 2 1 298.387 -0.242 20 0 CBADMP O=C(NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccn[nH]1 ZINC000629574187 356781793 /nfs/dbraw/zinc/78/17/93/356781793.db2.gz ISHABAQWANPIRW-LLVKDONJSA-N 2 1 281.360 -0.814 20 0 CBADMP C[C@@H](C[N@H+](C)CCOCC[NH3+])CS(C)(=O)=O ZINC000629579035 356782400 /nfs/dbraw/zinc/78/24/00/356782400.db2.gz YPIQHUYNHZEKKP-JTQLQIEISA-N 2 1 252.380 -0.426 20 0 CBADMP C[C@@H](C[N@@H+](C)CCOCC[NH3+])CS(C)(=O)=O ZINC000629579035 356782404 /nfs/dbraw/zinc/78/24/04/356782404.db2.gz YPIQHUYNHZEKKP-JTQLQIEISA-N 2 1 252.380 -0.426 20 0 CBADMP OCC[N@H+]1CCCC[C@@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000629585034 356783518 /nfs/dbraw/zinc/78/35/18/356783518.db2.gz YKCIRKOJKCHCDY-CABCVRRESA-N 2 1 285.432 -0.121 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000629595710 356784969 /nfs/dbraw/zinc/78/49/69/356784969.db2.gz VINGYSBNAJCYJL-NSHDSACASA-N 2 1 279.406 -0.777 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000629595219 356785021 /nfs/dbraw/zinc/78/50/21/356785021.db2.gz LDIJWBSSCPJYQJ-RYUDHWBXSA-N 2 1 293.433 -0.782 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000629595219 356785023 /nfs/dbraw/zinc/78/50/23/356785023.db2.gz LDIJWBSSCPJYQJ-RYUDHWBXSA-N 2 1 293.433 -0.782 20 0 CBADMP CC(=O)NC[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000629595262 356785162 /nfs/dbraw/zinc/78/51/62/356785162.db2.gz LSYMGTNATLSLJL-CQSZACIVSA-N 2 1 296.415 -0.201 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630897124 356866920 /nfs/dbraw/zinc/86/69/20/356866920.db2.gz VWWLUHCCJYZZJP-UHFFFAOYSA-N 2 1 297.403 -0.247 20 0 CBADMP O=C(NCC[NH+]1CCC1)NCC[N@H+]1CCCOCC1 ZINC000630343200 356835862 /nfs/dbraw/zinc/83/58/62/356835862.db2.gz FHBQMCJNBICSDP-UHFFFAOYSA-N 2 1 270.377 -0.286 20 0 CBADMP C[NH+](C)CCC[N@H+](C)CCn1cc(CCO)nn1 ZINC000630611743 356855480 /nfs/dbraw/zinc/85/54/80/356855480.db2.gz JSKAOQAFNLKIAQ-UHFFFAOYSA-N 2 1 255.366 -0.304 20 0 CBADMP C[NH+](C)CCC[N@@H+](C)CCn1cc(CCO)nn1 ZINC000630611743 356855482 /nfs/dbraw/zinc/85/54/82/356855482.db2.gz JSKAOQAFNLKIAQ-UHFFFAOYSA-N 2 1 255.366 -0.304 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000631783733 356906850 /nfs/dbraw/zinc/90/68/50/356906850.db2.gz DHSKQJBVAZIPPR-NSHDSACASA-N 2 1 263.407 -0.048 20 0 CBADMP COCc1ncc2c(n1)CC[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000631835304 356910600 /nfs/dbraw/zinc/91/06/00/356910600.db2.gz RJVRVTHIXXNSJP-UHFFFAOYSA-N 2 1 291.399 -0.114 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000631852183 356913044 /nfs/dbraw/zinc/91/30/44/356913044.db2.gz FZJDCHJMUHCMFB-BETUJISGSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000631900403 356917352 /nfs/dbraw/zinc/91/73/52/356917352.db2.gz RCUZNXMGIXPMNO-SNVBAGLBSA-N 2 1 261.391 -0.167 20 0 CBADMP C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631935067 356927264 /nfs/dbraw/zinc/92/72/64/356927264.db2.gz PKYCLAMACXAKKZ-WDEREUQCSA-N 2 1 275.418 -0.002 20 0 CBADMP C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631935377 356928022 /nfs/dbraw/zinc/92/80/22/356928022.db2.gz UUTXHDPXGDCUNR-QWRGUYRKSA-N 2 1 275.418 -0.002 20 0 CBADMP O=S(=O)(CCC[NH+]1CCCC1)NC[C@@H]1COCC[NH2+]1 ZINC000631954249 356934263 /nfs/dbraw/zinc/93/42/63/356934263.db2.gz GDDLFBQZCULDOH-GFCCVEGCSA-N 2 1 291.417 -0.620 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000632214009 356960758 /nfs/dbraw/zinc/96/07/58/356960758.db2.gz PNZGOESYUARBCZ-GFCCVEGCSA-N 2 1 291.417 -0.933 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000632214009 356960759 /nfs/dbraw/zinc/96/07/59/356960759.db2.gz PNZGOESYUARBCZ-GFCCVEGCSA-N 2 1 291.417 -0.933 20 0 CBADMP C[C@@H](CNS(=O)(=O)C[C@H]1CN(C)CCO1)N(C)C ZINC000632417862 356986300 /nfs/dbraw/zinc/98/63/00/356986300.db2.gz PDUWTCSSAPAUCZ-WDEREUQCSA-N 2 1 279.406 -0.814 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@@H]1C ZINC000633095877 357044753 /nfs/dbraw/zinc/04/47/53/357044753.db2.gz ZLXSHVIPSIDZEY-RNJOBUHISA-N 2 1 294.399 -0.500 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@@H]1C ZINC000633095877 357044754 /nfs/dbraw/zinc/04/47/54/357044754.db2.gz ZLXSHVIPSIDZEY-RNJOBUHISA-N 2 1 294.399 -0.500 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633106066 357047007 /nfs/dbraw/zinc/04/70/07/357047007.db2.gz GPEVPHWCTRGJKZ-XQQFMLRXSA-N 2 1 294.399 -0.498 20 0 CBADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C2)C1 ZINC000633115044 357048684 /nfs/dbraw/zinc/04/86/84/357048684.db2.gz LPZZJGMSIAISHL-HUBLWGQQSA-N 2 1 292.383 -0.887 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633116137 357049355 /nfs/dbraw/zinc/04/93/55/357049355.db2.gz PHOCIJXKYPVZET-BETUJISGSA-N 2 1 294.399 -0.498 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000633115308 357049462 /nfs/dbraw/zinc/04/94/62/357049462.db2.gz JGAXKMKDLAWCNJ-NWDGAFQWSA-N 2 1 282.388 -0.513 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000633116216 357049661 /nfs/dbraw/zinc/04/96/61/357049661.db2.gz QHAPBYMWDKJZES-RWMBFGLXSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000633115309 357049689 /nfs/dbraw/zinc/04/96/89/357049689.db2.gz JGAXKMKDLAWCNJ-RYUDHWBXSA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000633117205 357050082 /nfs/dbraw/zinc/05/00/82/357050082.db2.gz AWHNWZOSWYDVAO-GHMZBOCLSA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000633138890 357051390 /nfs/dbraw/zinc/05/13/90/357051390.db2.gz FCYFQGIQJRTMIB-NNYUYHANSA-N 2 1 282.388 -0.515 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000633138890 357051393 /nfs/dbraw/zinc/05/13/93/357051393.db2.gz FCYFQGIQJRTMIB-NNYUYHANSA-N 2 1 282.388 -0.515 20 0 CBADMP OC(C[NH+]1C[C@@H]2COC[C@@H]2C1)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779980 357136607 /nfs/dbraw/zinc/13/66/07/357136607.db2.gz OCZXNTQZYQZLLR-KPWCQOOUSA-N 2 1 282.384 -0.496 20 0 CBADMP C[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C[NH3+] ZINC000634999364 357142194 /nfs/dbraw/zinc/14/21/94/357142194.db2.gz SZFBSIYAISHJBU-VHSXEESVSA-N 2 1 266.345 -0.889 20 0 CBADMP C[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C[NH3+] ZINC000634999362 357142358 /nfs/dbraw/zinc/14/23/58/357142358.db2.gz SZFBSIYAISHJBU-NXEZZACHSA-N 2 1 266.345 -0.889 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635516912 357171106 /nfs/dbraw/zinc/17/11/06/357171106.db2.gz JANBUEBLTCIMHG-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000635900880 357228009 /nfs/dbraw/zinc/22/80/09/357228009.db2.gz YOLDYDSPPXVUOH-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000635900880 357228012 /nfs/dbraw/zinc/22/80/12/357228012.db2.gz YOLDYDSPPXVUOH-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000635900880 357228015 /nfs/dbraw/zinc/22/80/15/357228015.db2.gz YOLDYDSPPXVUOH-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000635928431 357234748 /nfs/dbraw/zinc/23/47/48/357234748.db2.gz GHXHJHYGGWPXIK-MGPQQGTHSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000635928431 357234751 /nfs/dbraw/zinc/23/47/51/357234751.db2.gz GHXHJHYGGWPXIK-MGPQQGTHSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000635928431 357234754 /nfs/dbraw/zinc/23/47/54/357234754.db2.gz GHXHJHYGGWPXIK-MGPQQGTHSA-N 2 1 281.400 -0.004 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000636581248 357290377 /nfs/dbraw/zinc/29/03/77/357290377.db2.gz XBNPICRBJDGWTR-JSGCOSHPSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000636581248 357290381 /nfs/dbraw/zinc/29/03/81/357290381.db2.gz XBNPICRBJDGWTR-JSGCOSHPSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000636581248 357290386 /nfs/dbraw/zinc/29/03/86/357290386.db2.gz XBNPICRBJDGWTR-JSGCOSHPSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000636791363 357303510 /nfs/dbraw/zinc/30/35/10/357303510.db2.gz VUDAUNYHKSBUSX-YPMHNXCESA-N 2 1 282.388 -0.411 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000636791363 357303515 /nfs/dbraw/zinc/30/35/15/357303515.db2.gz VUDAUNYHKSBUSX-YPMHNXCESA-N 2 1 282.388 -0.411 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000636791363 357303518 /nfs/dbraw/zinc/30/35/18/357303518.db2.gz VUDAUNYHKSBUSX-YPMHNXCESA-N 2 1 282.388 -0.411 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000636791361 357303845 /nfs/dbraw/zinc/30/38/45/357303845.db2.gz VUDAUNYHKSBUSX-DGCLKSJQSA-N 2 1 282.388 -0.411 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000636791361 357303847 /nfs/dbraw/zinc/30/38/47/357303847.db2.gz VUDAUNYHKSBUSX-DGCLKSJQSA-N 2 1 282.388 -0.411 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000636791361 357303848 /nfs/dbraw/zinc/30/38/48/357303848.db2.gz VUDAUNYHKSBUSX-DGCLKSJQSA-N 2 1 282.388 -0.411 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000636140053 357267723 /nfs/dbraw/zinc/26/77/23/357267723.db2.gz MFDIPOCMKKXFOA-FRRDWIJNSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000636140053 357267730 /nfs/dbraw/zinc/26/77/30/357267730.db2.gz MFDIPOCMKKXFOA-FRRDWIJNSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000636140053 357267733 /nfs/dbraw/zinc/26/77/33/357267733.db2.gz MFDIPOCMKKXFOA-FRRDWIJNSA-N 2 1 267.373 -0.394 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000636257066 357274443 /nfs/dbraw/zinc/27/44/43/357274443.db2.gz ZTWMSXUUFAURPY-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000636257066 357274445 /nfs/dbraw/zinc/27/44/45/357274445.db2.gz ZTWMSXUUFAURPY-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000636257066 357274448 /nfs/dbraw/zinc/27/44/48/357274448.db2.gz ZTWMSXUUFAURPY-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CN1CCOC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636278938 357275939 /nfs/dbraw/zinc/27/59/39/357275939.db2.gz CHVQUOZPLQDEQI-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000637820851 357370361 /nfs/dbraw/zinc/37/03/61/357370361.db2.gz JQWVOTXAZBISST-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000637835060 357374250 /nfs/dbraw/zinc/37/42/50/357374250.db2.gz JPCJVVWYSCISDQ-KGLIPLIRSA-N 2 1 296.415 -0.787 20 0 CBADMP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636912582 357311495 /nfs/dbraw/zinc/31/14/95/357311495.db2.gz KGWXIQCNNNCLRY-JHJVBQTASA-N 2 1 284.404 -0.308 20 0 CBADMP CC[NH+]1C[C@@H](C)[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000636912582 357311499 /nfs/dbraw/zinc/31/14/99/357311499.db2.gz KGWXIQCNNNCLRY-JHJVBQTASA-N 2 1 284.404 -0.308 20 0 CBADMP CC[NH+]1C[C@@H](C)[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000636912582 357311501 /nfs/dbraw/zinc/31/15/01/357311501.db2.gz KGWXIQCNNNCLRY-JHJVBQTASA-N 2 1 284.404 -0.308 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000637157300 357326882 /nfs/dbraw/zinc/32/68/82/357326882.db2.gz SNPIRDBTCNZAHV-MNOVXSKESA-N 2 1 293.371 -0.367 20 0 CBADMP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000637157300 357326883 /nfs/dbraw/zinc/32/68/83/357326883.db2.gz SNPIRDBTCNZAHV-MNOVXSKESA-N 2 1 293.371 -0.367 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000637157300 357326887 /nfs/dbraw/zinc/32/68/87/357326887.db2.gz SNPIRDBTCNZAHV-MNOVXSKESA-N 2 1 293.371 -0.367 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000637379419 357341713 /nfs/dbraw/zinc/34/17/13/357341713.db2.gz OPABWNVGGFSJDO-FRRDWIJNSA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000637379419 357341717 /nfs/dbraw/zinc/34/17/17/357341717.db2.gz OPABWNVGGFSJDO-FRRDWIJNSA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000637379419 357341719 /nfs/dbraw/zinc/34/17/19/357341719.db2.gz OPABWNVGGFSJDO-FRRDWIJNSA-N 2 1 282.388 -0.459 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C1 ZINC000637811488 357368591 /nfs/dbraw/zinc/36/85/91/357368591.db2.gz MFKOGCVFGJJSNJ-KBPBESRZSA-N 2 1 276.384 -0.076 20 0 CBADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000637811488 357368597 /nfs/dbraw/zinc/36/85/97/357368597.db2.gz MFKOGCVFGJJSNJ-KBPBESRZSA-N 2 1 276.384 -0.076 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638243932 357441855 /nfs/dbraw/zinc/44/18/55/357441855.db2.gz FESUBEFJOGDKRS-BARDWOONSA-N 2 1 288.395 -0.220 20 0 CBADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638243932 357441861 /nfs/dbraw/zinc/44/18/61/357441861.db2.gz FESUBEFJOGDKRS-BARDWOONSA-N 2 1 288.395 -0.220 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000638243033 357441974 /nfs/dbraw/zinc/44/19/74/357441974.db2.gz JQKLFJTYOBKZIN-HHHUOAJASA-N 2 1 251.330 -0.816 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000638060761 357406949 /nfs/dbraw/zinc/40/69/49/357406949.db2.gz QEYUPJXTLZNLLP-RWMBFGLXSA-N 2 1 285.388 -0.424 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000638060726 357407047 /nfs/dbraw/zinc/40/70/47/357407047.db2.gz PPIZMTZYLKORQI-QNWHQSFQSA-N 2 1 285.388 -0.282 20 0 CBADMP CC(C)[C@H](CNC(=O)CN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000638060705 357407874 /nfs/dbraw/zinc/40/78/74/357407874.db2.gz OVXVTGYYQBGJSZ-AWEZNQCLSA-N 2 1 298.431 -0.635 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638071161 357409482 /nfs/dbraw/zinc/40/94/82/357409482.db2.gz GFTROFYLTPWOMF-CYBMUJFWSA-N 2 1 273.377 -0.551 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638071145 357410144 /nfs/dbraw/zinc/41/01/44/357410144.db2.gz FTJNPKNMIIVYEF-UHFFFAOYSA-N 2 1 281.360 -0.367 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000638075065 357410962 /nfs/dbraw/zinc/41/09/62/357410962.db2.gz PXNIGZKOAXXJLP-WYUUTHIRSA-N 2 1 253.346 -0.154 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638073234 357411223 /nfs/dbraw/zinc/41/12/23/357411223.db2.gz SSKWQCVELFHIFB-AAEUAGOBSA-N 2 1 255.362 -0.190 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638078718 357412754 /nfs/dbraw/zinc/41/27/54/357412754.db2.gz MTNVFVVVZHPYNJ-WCQYABFASA-N 2 1 255.362 -0.048 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638090921 357414164 /nfs/dbraw/zinc/41/41/64/357414164.db2.gz IWSNMZIWECFPPD-AAEUAGOBSA-N 2 1 273.377 -0.552 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])C[NH+]1CCOCC1 ZINC000638090290 357414590 /nfs/dbraw/zinc/41/45/90/357414590.db2.gz HPTWASRRZAGOAV-SDDRHHMPSA-N 2 1 271.361 -0.813 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638090291 357414738 /nfs/dbraw/zinc/41/47/38/357414738.db2.gz HQSZUYHRQWHVRY-GFCCVEGCSA-N 2 1 252.318 -0.314 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@]2(COC)CCCC[NH2+]2)C1 ZINC000638100838 357416646 /nfs/dbraw/zinc/41/66/46/357416646.db2.gz MWVVRTAAABDXAX-UKRRQHHQSA-N 2 1 299.415 -0.018 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638100125 357417363 /nfs/dbraw/zinc/41/73/63/357417363.db2.gz OZJSMKHNKRAHQF-OCCSQVGLSA-N 2 1 285.388 -0.408 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638098909 357417435 /nfs/dbraw/zinc/41/74/35/357417435.db2.gz FAYFOTAWEJBBML-GFCCVEGCSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[NH2+]CCO1 ZINC000638102659 357418448 /nfs/dbraw/zinc/41/84/48/357418448.db2.gz WHPNIRNFIJBBIY-JSGCOSHPSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000638117950 357420554 /nfs/dbraw/zinc/42/05/54/357420554.db2.gz PWMSOTZDJCTPIX-KGLIPLIRSA-N 2 1 298.431 -0.493 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000638124947 357421683 /nfs/dbraw/zinc/42/16/83/357421683.db2.gz HHJHRWOVYIVUOB-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638123566 357422023 /nfs/dbraw/zinc/42/20/23/357422023.db2.gz PUXSTEGOEMQPSN-AWEZNQCLSA-N 2 1 287.404 -0.174 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638123917 357422045 /nfs/dbraw/zinc/42/20/45/357422045.db2.gz ATZKIDVMJPYWLD-ZDUSSCGKSA-N 2 1 294.399 -0.344 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638134024 357423595 /nfs/dbraw/zinc/42/35/95/357423595.db2.gz LBNJGQRYYBAEQF-QKCSRTOESA-N 2 1 267.373 -0.036 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638243939 357442903 /nfs/dbraw/zinc/44/29/03/357442903.db2.gz FESUBEFJOGDKRS-LJISPDSOSA-N 2 1 288.395 -0.220 20 0 CBADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638243939 357442908 /nfs/dbraw/zinc/44/29/08/357442908.db2.gz FESUBEFJOGDKRS-LJISPDSOSA-N 2 1 288.395 -0.220 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638135912 357424499 /nfs/dbraw/zinc/42/44/99/357424499.db2.gz VSVXWQXGJRKUQN-AAEUAGOBSA-N 2 1 266.389 -0.510 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NCC(F)(F)C[NH3+])cn1 ZINC000638173722 357431207 /nfs/dbraw/zinc/43/12/07/357431207.db2.gz DAXGMPLIHLPZNS-UHFFFAOYSA-N 2 1 275.303 -0.232 20 0 CBADMP [NH3+][C@H]1CC=C(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000638174030 357432195 /nfs/dbraw/zinc/43/21/95/357432195.db2.gz MZQXUWFWMIWFQE-STQMWFEESA-N 2 1 292.383 -0.543 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638210809 357435592 /nfs/dbraw/zinc/43/55/92/357435592.db2.gz KCLBCVCYNAHHMT-DGCLKSJQSA-N 2 1 264.373 -0.091 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638210809 357435598 /nfs/dbraw/zinc/43/55/98/357435598.db2.gz KCLBCVCYNAHHMT-DGCLKSJQSA-N 2 1 264.373 -0.091 20 0 CBADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[N@H+](C)C[C@H](C)O1 ZINC000638224840 357437131 /nfs/dbraw/zinc/43/71/31/357437131.db2.gz RAGPJENQEVGOJP-FIQHERPVSA-N 2 1 273.352 -0.136 20 0 CBADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[N@@H+](C)C[C@H](C)O1 ZINC000638224840 357437137 /nfs/dbraw/zinc/43/71/37/357437137.db2.gz RAGPJENQEVGOJP-FIQHERPVSA-N 2 1 273.352 -0.136 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638571386 357495116 /nfs/dbraw/zinc/49/51/16/357495116.db2.gz PQRSZMWJFKLSGD-OLZOCXBDSA-N 2 1 296.415 -0.168 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000638591545 357499520 /nfs/dbraw/zinc/49/95/20/357499520.db2.gz IVLCXZFAZCGBNX-NSHDSACASA-N 2 1 295.387 -0.205 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCOCC[NH2+]C)C1 ZINC000638592932 357499574 /nfs/dbraw/zinc/49/95/74/357499574.db2.gz WCNGMMWEVJTDJZ-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CCOCC[NH2+]C)C1 ZINC000638592932 357499576 /nfs/dbraw/zinc/49/95/76/357499576.db2.gz WCNGMMWEVJTDJZ-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)Cn1c[nH+]cc1C ZINC000638595148 357500555 /nfs/dbraw/zinc/50/05/55/357500555.db2.gz YHOWHEQDYLNBKP-UHFFFAOYSA-N 2 1 254.334 -0.114 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000638266275 357445638 /nfs/dbraw/zinc/44/56/38/357445638.db2.gz PNJOXDFVKLHREG-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)O1 ZINC000638270647 357446903 /nfs/dbraw/zinc/44/69/03/357446903.db2.gz ZVVODZQYTNTKCV-WISYIIOYSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)O1 ZINC000638270647 357446906 /nfs/dbraw/zinc/44/69/06/357446906.db2.gz ZVVODZQYTNTKCV-WISYIIOYSA-N 2 1 255.362 -0.051 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CN1CC[NH2+]CC1 ZINC000638285852 357451802 /nfs/dbraw/zinc/45/18/02/357451802.db2.gz YZGFKHBZWRFXSQ-ZDUSSCGKSA-N 2 1 268.405 -0.310 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000638294275 357452710 /nfs/dbraw/zinc/45/27/10/357452710.db2.gz NRHVEGUBLSNBMH-GXTWGEPZSA-N 2 1 285.388 -0.408 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000638294275 357452714 /nfs/dbraw/zinc/45/27/14/357452714.db2.gz NRHVEGUBLSNBMH-GXTWGEPZSA-N 2 1 285.388 -0.408 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)CN3CC[NH2+]CC3)[C@@H]2C1 ZINC000638312407 357454887 /nfs/dbraw/zinc/45/48/87/357454887.db2.gz FTHAMKOWSCOHSN-QWHCGFSZSA-N 2 1 266.389 -0.556 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CC[NH2+]CC3)[C@@H]2C1 ZINC000638312405 357455662 /nfs/dbraw/zinc/45/56/62/357455662.db2.gz FTHAMKOWSCOHSN-CHWSQXEVSA-N 2 1 266.389 -0.556 20 0 CBADMP C[C@H](CNC(=O)CN1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638396036 357467361 /nfs/dbraw/zinc/46/73/61/357467361.db2.gz HEBJLAGUAYRJQH-MCIONIFRSA-N 2 1 298.431 -0.495 20 0 CBADMP C[C@H](CNC(=O)CN1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638396036 357467366 /nfs/dbraw/zinc/46/73/66/357467366.db2.gz HEBJLAGUAYRJQH-MCIONIFRSA-N 2 1 298.431 -0.495 20 0 CBADMP [NH3+]C[C@@]1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CCCOC1 ZINC000638423898 357473481 /nfs/dbraw/zinc/47/34/81/357473481.db2.gz CRQFZLWNCRHSNV-HIFRSBDPSA-N 2 1 296.415 -0.752 20 0 CBADMP CC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000638424728 357473889 /nfs/dbraw/zinc/47/38/89/357473889.db2.gz IXURGVYGSWMGCR-VXGBXAGGSA-N 2 1 254.378 -0.510 20 0 CBADMP O=C(CCC1C[NH2+]C1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000638425162 357474304 /nfs/dbraw/zinc/47/43/04/357474304.db2.gz LKSNPMDTAOYLON-CYBMUJFWSA-N 2 1 266.389 -0.508 20 0 CBADMP CC(C)[NH2+]CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000638496797 357486427 /nfs/dbraw/zinc/48/64/27/357486427.db2.gz VXRNIOGQITWRDZ-NSHDSACASA-N 2 1 270.377 -0.560 20 0 CBADMP CCN(CC[NH3+])C(=O)CC[NH+]1CCN(CC)CC1 ZINC000638519122 357492657 /nfs/dbraw/zinc/49/26/57/357492657.db2.gz RYXMYMBJXZAXML-UHFFFAOYSA-N 2 1 256.394 -0.179 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638537318 357493501 /nfs/dbraw/zinc/49/35/01/357493501.db2.gz YPBFQYQNAMEOLA-LOWVWBTDSA-N 2 1 253.346 -0.567 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000638528776 357493574 /nfs/dbraw/zinc/49/35/74/357493574.db2.gz RURIJHQXRYVKKB-SNVBAGLBSA-N 2 1 266.349 -0.549 20 0 CBADMP CO[C@H](C[NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000638551970 357494683 /nfs/dbraw/zinc/49/46/83/357494683.db2.gz OUGOKKNXQRTXDC-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CC(C)(O)C[NH+]1CCC([NH+](CCO)CCO)CC1 ZINC000639342846 357567679 /nfs/dbraw/zinc/56/76/79/357567679.db2.gz DGPCKPBJVONZTJ-UHFFFAOYSA-N 2 1 260.378 -0.492 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)N1CC[NH+](C)CC1 ZINC000638767811 357527342 /nfs/dbraw/zinc/52/73/42/357527342.db2.gz LQINCOFRGGIFEJ-SDDRHHMPSA-N 2 1 254.378 -0.511 20 0 CBADMP O=C(NCc1cccc2c1CC[NH2+]C2)[C@H]1COCC[NH2+]1 ZINC000638842013 357535476 /nfs/dbraw/zinc/53/54/76/357535476.db2.gz IYSGWZRQXUHJSE-CQSZACIVSA-N 2 1 275.352 -0.063 20 0 CBADMP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914398 357542801 /nfs/dbraw/zinc/54/28/01/357542801.db2.gz ADAMSUYEJIOJSF-GUBZILKMSA-N 2 1 261.329 -0.327 20 0 CBADMP C[C@H](C(=O)N1C[C@@H]([NH3+])C[C@H]1C)N1CC[NH+](C)CC1 ZINC000638929534 357544992 /nfs/dbraw/zinc/54/49/92/357544992.db2.gz BWYINRWIBRLVAQ-UTUOFQBUSA-N 2 1 254.378 -0.430 20 0 CBADMP CO[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000639049579 357555935 /nfs/dbraw/zinc/55/59/35/357555935.db2.gz VHQVUXNDQBJIEP-UPJWGTAASA-N 2 1 258.362 -0.306 20 0 CBADMP CO[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000639049579 357555937 /nfs/dbraw/zinc/55/59/37/357555937.db2.gz VHQVUXNDQBJIEP-UPJWGTAASA-N 2 1 258.362 -0.306 20 0 CBADMP CC[C@@H]1C[N@@H+](C)CCN1Cc1cnc(N)nc1N ZINC000639211605 357561774 /nfs/dbraw/zinc/56/17/74/357561774.db2.gz PNZZLMCILAZPGW-SNVBAGLBSA-N 2 1 250.350 -0.172 20 0 CBADMP COC[C@](C)(CO)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000639957192 357623381 /nfs/dbraw/zinc/62/33/81/357623381.db2.gz KXBYFPNOUFKKCD-ZDUSSCGKSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)C[C@]2(C)CO)CC1 ZINC000639854196 357609196 /nfs/dbraw/zinc/60/91/96/357609196.db2.gz JIHQZMLVAGMIQW-DZGCQCFKSA-N 2 1 299.415 -0.596 20 0 CBADMP CC[NH+]1CCC(NC(=O)CN2CC[N@H+](C)C[C@H]2CO)CC1 ZINC000639869411 357613931 /nfs/dbraw/zinc/61/39/31/357613931.db2.gz KUJCRMHLSQROHY-AWEZNQCLSA-N 2 1 298.431 -0.805 20 0 CBADMP CC[NH+]1CCC(NC(=O)CN2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC000639869411 357613937 /nfs/dbraw/zinc/61/39/37/357613937.db2.gz KUJCRMHLSQROHY-AWEZNQCLSA-N 2 1 298.431 -0.805 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@H]1CO ZINC000639868205 357614433 /nfs/dbraw/zinc/61/44/33/357614433.db2.gz SOEHRJILLQNHAG-QWHCGFSZSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@H]1CO ZINC000639868205 357614436 /nfs/dbraw/zinc/61/44/36/357614436.db2.gz SOEHRJILLQNHAG-QWHCGFSZSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@H+](C)C[C@H]1CO ZINC000639868205 357614442 /nfs/dbraw/zinc/61/44/42/357614442.db2.gz SOEHRJILLQNHAG-QWHCGFSZSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)C[C@H]1CO ZINC000639868205 357614446 /nfs/dbraw/zinc/61/44/46/357614446.db2.gz SOEHRJILLQNHAG-QWHCGFSZSA-N 2 1 259.394 -0.704 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)n2cc(CCC[NH3+])nn2)CC1 ZINC000640831231 357666464 /nfs/dbraw/zinc/66/64/64/357666464.db2.gz SAFGZBMOYUYXTN-GFCCVEGCSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641223484 357683127 /nfs/dbraw/zinc/68/31/27/357683127.db2.gz RCVJVSMPTXDLGW-DGCLKSJQSA-N 2 1 267.377 -0.257 20 0 CBADMP CC(=O)N1CCN(C(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641808010 357743643 /nfs/dbraw/zinc/74/36/43/357743643.db2.gz XBJRDARGISYMHJ-NWDGAFQWSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000642999931 357775992 /nfs/dbraw/zinc/77/59/92/357775992.db2.gz OLJBWLQYKFDENF-MNOVXSKESA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641823986 357745514 /nfs/dbraw/zinc/74/55/14/357745514.db2.gz CDARXGZMLLZHDE-GHMZBOCLSA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641823986 357745516 /nfs/dbraw/zinc/74/55/16/357745516.db2.gz CDARXGZMLLZHDE-GHMZBOCLSA-N 2 1 282.388 -0.513 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1(C)C ZINC000641823984 357745793 /nfs/dbraw/zinc/74/57/93/357745793.db2.gz CCIAMVLZWZEAGE-QWRGUYRKSA-N 2 1 280.372 -0.888 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1(C)C ZINC000641823984 357745796 /nfs/dbraw/zinc/74/57/96/357745796.db2.gz CCIAMVLZWZEAGE-QWRGUYRKSA-N 2 1 280.372 -0.888 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000641825061 357746581 /nfs/dbraw/zinc/74/65/81/357746581.db2.gz PYJHAZISXIBWDU-VXGBXAGGSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000641825061 357746584 /nfs/dbraw/zinc/74/65/84/357746584.db2.gz PYJHAZISXIBWDU-VXGBXAGGSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H](NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)[C@H](C)[NH3+] ZINC000641937785 357749206 /nfs/dbraw/zinc/74/92/06/357749206.db2.gz KPIPIKICRUEUBA-WDEREUQCSA-N 2 1 272.393 -0.180 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000641918252 357749212 /nfs/dbraw/zinc/74/92/12/357749212.db2.gz HLUOYIOENLUSGI-IGQOVBAYSA-N 2 1 294.399 -0.290 20 0 CBADMP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000641937783 357749220 /nfs/dbraw/zinc/74/92/20/357749220.db2.gz KPIPIKICRUEUBA-MNOVXSKESA-N 2 1 272.393 -0.180 20 0 CBADMP 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 357753351 /nfs/dbraw/zinc/75/33/51/357753351.db2.gz GHRZFRIDMJURJN-QNWHQSFQSA-N 2 1 298.431 -0.068 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642431207 357754297 /nfs/dbraw/zinc/75/42/97/357754297.db2.gz WOYZXRIWIZBLBO-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642431210 357754521 /nfs/dbraw/zinc/75/45/21/357754521.db2.gz WOYZXRIWIZBLBO-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000642535596 357756413 /nfs/dbraw/zinc/75/64/13/357756413.db2.gz KYBWJPINHAMHKS-GMXVVIOVSA-N 2 1 294.399 -0.404 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643065047 357776816 /nfs/dbraw/zinc/77/68/16/357776816.db2.gz QWIUTAQJNSZWDK-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000642718193 357759141 /nfs/dbraw/zinc/75/91/41/357759141.db2.gz RJJPASJRXFXNBI-WZRBSPASSA-N 2 1 294.399 -0.323 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642718720 357759470 /nfs/dbraw/zinc/75/94/70/357759470.db2.gz JVPGOSNJAWPHJP-GWCFXTLKSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000642732690 357760105 /nfs/dbraw/zinc/76/01/05/357760105.db2.gz QERXACWOGBPTSU-FRRDWIJNSA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000642732138 357760378 /nfs/dbraw/zinc/76/03/78/357760378.db2.gz FCCHEUXBPOHERP-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642773403 357761508 /nfs/dbraw/zinc/76/15/08/357761508.db2.gz WOZOENYTXYYOER-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642773407 357761590 /nfs/dbraw/zinc/76/15/90/357761590.db2.gz WOZOENYTXYYOER-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785710 357761800 /nfs/dbraw/zinc/76/18/00/357761800.db2.gz DUZUKLQXRWKTSB-CHWSQXEVSA-N 2 1 296.415 -0.314 20 0 CBADMP [NH3+]C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000642785650 357761880 /nfs/dbraw/zinc/76/18/80/357761880.db2.gz AXYPCGJEWJNUGQ-QWHCGFSZSA-N 2 1 294.399 -0.560 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785711 357762668 /nfs/dbraw/zinc/76/26/68/357762668.db2.gz DUZUKLQXRWKTSB-OLZOCXBDSA-N 2 1 296.415 -0.314 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000642786034 357762707 /nfs/dbraw/zinc/76/27/07/357762707.db2.gz XWVFNKUCGIZXOC-QWHCGFSZSA-N 2 1 294.399 -0.545 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000642800814 357763639 /nfs/dbraw/zinc/76/36/39/357763639.db2.gz OOKGXXVJOAVJPG-ZYHUDNBSSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000642793883 357763719 /nfs/dbraw/zinc/76/37/19/357763719.db2.gz BBLZQBBOLUXHMM-SNVBAGLBSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000642809772 357763744 /nfs/dbraw/zinc/76/37/44/357763744.db2.gz OUAWDVMRZUTQAU-WDEREUQCSA-N 2 1 284.404 -0.314 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642808195 357763769 /nfs/dbraw/zinc/76/37/69/357763769.db2.gz HABSJSVZKKIERN-SNVBAGLBSA-N 2 1 258.366 -0.702 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000642907846 357766480 /nfs/dbraw/zinc/76/64/80/357766480.db2.gz IEYICGRGASGCHN-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000642909368 357767200 /nfs/dbraw/zinc/76/72/00/357767200.db2.gz LMZPSTXATZKJSE-SDDRHHMPSA-N 2 1 284.404 -0.314 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919117 357770442 /nfs/dbraw/zinc/77/04/42/357770442.db2.gz ORGUKNKJQINHKL-UHFFFAOYSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000642930462 357771372 /nfs/dbraw/zinc/77/13/72/357771372.db2.gz ZRRLILGUCQLFAS-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000642929591 357771468 /nfs/dbraw/zinc/77/14/68/357771468.db2.gz FNZHQCKUNFKRCK-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCC1 ZINC000642978830 357773361 /nfs/dbraw/zinc/77/33/61/357773361.db2.gz UXIZZPMUHNBXGG-GFCCVEGCSA-N 2 1 294.399 -0.319 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCC1 ZINC000642978830 357773365 /nfs/dbraw/zinc/77/33/65/357773365.db2.gz UXIZZPMUHNBXGG-GFCCVEGCSA-N 2 1 294.399 -0.319 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000643460784 357783218 /nfs/dbraw/zinc/78/32/18/357783218.db2.gz BFDBJDHCDWLGNV-MNOVXSKESA-N 2 1 263.407 -0.145 20 0 CBADMP C[C@H](NCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000643472208 357784071 /nfs/dbraw/zinc/78/40/71/357784071.db2.gz HOCQXWWINDZDOG-RYUDHWBXSA-N 2 1 254.378 -0.510 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000643471903 357784144 /nfs/dbraw/zinc/78/41/44/357784144.db2.gz PEKYGBXBDLMMQD-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](NCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000643472344 357784196 /nfs/dbraw/zinc/78/41/96/357784196.db2.gz YVDKZMAHUGTLII-STQMWFEESA-N 2 1 268.405 -0.119 20 0 CBADMP CC[C@H](NCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000643472325 357784310 /nfs/dbraw/zinc/78/43/10/357784310.db2.gz XMSBQDRBEUNJLH-STQMWFEESA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NCC(=O)N1CC[NH+](C)CC1 ZINC000643472197 357784391 /nfs/dbraw/zinc/78/43/91/357784391.db2.gz GMVOQTAHBBAXII-VXGBXAGGSA-N 2 1 254.378 -0.652 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000121180025 283315340 /nfs/dbraw/zinc/31/53/40/283315340.db2.gz LWKSASYSANDWSE-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000121180025 283315344 /nfs/dbraw/zinc/31/53/44/283315344.db2.gz LWKSASYSANDWSE-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000419322899 291132547 /nfs/dbraw/zinc/13/25/47/291132547.db2.gz SYTYYAOASWUPIH-SRVKXCTJSA-N 2 1 294.399 -0.404 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429020865 283348963 /nfs/dbraw/zinc/34/89/63/283348963.db2.gz OCPDQDWDENAWJW-ZDUSSCGKSA-N 2 1 268.361 -0.140 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429020865 283348965 /nfs/dbraw/zinc/34/89/65/283348965.db2.gz OCPDQDWDENAWJW-ZDUSSCGKSA-N 2 1 268.361 -0.140 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429020865 283348966 /nfs/dbraw/zinc/34/89/66/283348966.db2.gz OCPDQDWDENAWJW-ZDUSSCGKSA-N 2 1 268.361 -0.140 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000423786053 291148728 /nfs/dbraw/zinc/14/87/28/291148728.db2.gz PJTHMNLXBMWICI-QWRGUYRKSA-N 2 1 271.361 -0.323 20 0 CBADMP CCC[NH2+]CCNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000418490782 283388307 /nfs/dbraw/zinc/38/83/07/283388307.db2.gz QGORNZWXJBHXRW-LBPRGKRZSA-N 2 1 299.419 -0.375 20 0 CBADMP CNC(=O)C[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000341896506 216142647 /nfs/dbraw/zinc/14/26/47/216142647.db2.gz IJOWAWNPHFTZJO-LLVKDONJSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCC[N@H+]1C ZINC000419542365 291284761 /nfs/dbraw/zinc/28/47/61/291284761.db2.gz FJPSPHNNGNKUFQ-TUAOUCFPSA-N 2 1 282.388 -0.547 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370771801 296055547 /nfs/dbraw/zinc/05/55/47/296055547.db2.gz IDQQCUMGICUNAB-XUXIUFHCSA-N 2 1 279.384 -0.083 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000372101508 296055593 /nfs/dbraw/zinc/05/55/93/296055593.db2.gz JRGXGONQCSKVLR-NEPJUHHUSA-N 2 1 285.413 -0.376 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000343644064 296056437 /nfs/dbraw/zinc/05/64/37/296056437.db2.gz QEPFFCUYHWTTJH-AAEUAGOBSA-N 2 1 253.346 -0.423 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364213349 296137911 /nfs/dbraw/zinc/13/79/11/296137911.db2.gz IDQQCUMGICUNAB-REWJHTLYSA-N 2 1 279.384 -0.083 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000375977982 296138212 /nfs/dbraw/zinc/13/82/12/296138212.db2.gz VKBWZYQPAFVEBW-FRRDWIJNSA-N 2 1 283.372 -0.968 20 0 CBADMP COC[C@@]1(C(=O)N2CC[NH2+]C[C@](C)(F)C2)CC[NH2+]C1 ZINC000331681434 204070588 /nfs/dbraw/zinc/07/05/88/204070588.db2.gz USKXEKUOHPDJQR-QWHCGFSZSA-N 2 1 273.352 -0.228 20 0 CBADMP CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)CC[NH+](C)C ZINC000344064440 217035027 /nfs/dbraw/zinc/03/50/27/217035027.db2.gz OECDMQSXTFKOTA-GFCCVEGCSA-N 2 1 256.394 -0.310 20 0 CBADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000353425124 220074863 /nfs/dbraw/zinc/07/48/63/220074863.db2.gz IRYQKPAZJGPJML-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCN1C(=O)CNC1=O ZINC000161995332 372821474 /nfs/dbraw/zinc/82/14/74/372821474.db2.gz UFRUOLYGYYTEQF-UHFFFAOYSA-N 2 1 297.403 -0.893 20 0 CBADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)NC(N)=O)CC[C@@H]21 ZINC000162795335 372822756 /nfs/dbraw/zinc/82/27/56/372822756.db2.gz HAPDNYSAIXCCDO-MNOVXSKESA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)NC(N)=O)CC[C@@H]21 ZINC000162795335 372822761 /nfs/dbraw/zinc/82/27/61/372822761.db2.gz HAPDNYSAIXCCDO-MNOVXSKESA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)NC(N)=O)CC[C@@H]21 ZINC000162795335 372822767 /nfs/dbraw/zinc/82/27/67/372822767.db2.gz HAPDNYSAIXCCDO-MNOVXSKESA-N 2 1 268.361 -0.013 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CSC[NH2+]1)[C@@H](C)N1CCOCC1 ZINC000167695827 372825743 /nfs/dbraw/zinc/82/57/43/372825743.db2.gz JMWFWENXBFOGLJ-MXWKQRLJSA-N 2 1 273.402 -0.126 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000178877582 372840216 /nfs/dbraw/zinc/84/02/16/372840216.db2.gz RQMNTPSSCKZQRK-KBPBESRZSA-N 2 1 282.432 -0.014 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000179309562 372842634 /nfs/dbraw/zinc/84/26/34/372842634.db2.gz TXSXLFLCYFYJKI-CYBMUJFWSA-N 2 1 259.394 -0.437 20 0 CBADMP CC[N@@H+](CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1CC1 ZINC000219036247 372871279 /nfs/dbraw/zinc/87/12/79/372871279.db2.gz XEPRTHSWTRBMJQ-ZDUSSCGKSA-N 2 1 284.404 -0.314 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCCN1CC[NH2+]CC1 ZINC000333282515 205181704 /nfs/dbraw/zinc/18/17/04/205181704.db2.gz MSQZJMUIPWPHCW-CYBMUJFWSA-N 2 1 283.420 -0.373 20 0 CBADMP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000249136485 372893235 /nfs/dbraw/zinc/89/32/35/372893235.db2.gz OCODMUHDANEYRI-JHJVBQTASA-N 2 1 294.399 -0.463 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C)CC1 ZINC000333358437 205251098 /nfs/dbraw/zinc/25/10/98/205251098.db2.gz WXUVAHIGOJRSGJ-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353503601 220123045 /nfs/dbraw/zinc/12/30/45/220123045.db2.gz SCPYXFUBZPWJSH-VXGBXAGGSA-N 2 1 284.404 -0.040 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353503601 220123046 /nfs/dbraw/zinc/12/30/46/220123046.db2.gz SCPYXFUBZPWJSH-VXGBXAGGSA-N 2 1 284.404 -0.040 20 0 CBADMP CC1CC[NH+](CCCCNC(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353505717 220123080 /nfs/dbraw/zinc/12/30/80/220123080.db2.gz XYCIHQNZCYKBJJ-GFCCVEGCSA-N 2 1 284.404 -0.183 20 0 CBADMP CC[N@@H+](C)C[C@H](O)Cn1cc(CN(C)CCC[NH3+])nn1 ZINC000328015115 372972621 /nfs/dbraw/zinc/97/26/21/372972621.db2.gz QXXVAKZUDMQRSM-ZDUSSCGKSA-N 2 1 284.408 -0.629 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000333417912 205303048 /nfs/dbraw/zinc/30/30/48/205303048.db2.gz SDBQMFNJZGXQPG-MJBXVCDLSA-N 2 1 296.415 -0.042 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333448094 205328017 /nfs/dbraw/zinc/32/80/17/205328017.db2.gz XDKFHXYORIOHDD-URLYPYJESA-N 2 1 270.402 -0.448 20 0 CBADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000332669233 373004701 /nfs/dbraw/zinc/00/47/01/373004701.db2.gz RKSHPLMQXZMRSH-NEPJUHHUSA-N 2 1 280.372 -0.757 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000333138453 373008433 /nfs/dbraw/zinc/00/84/33/373008433.db2.gz CRABTDIBMDSFMG-YPMHNXCESA-N 2 1 294.399 -0.147 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000333424642 373009416 /nfs/dbraw/zinc/00/94/16/373009416.db2.gz SZVDJJCYLWXILA-WXHSDQCUSA-N 2 1 282.388 -0.162 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333476701 205354269 /nfs/dbraw/zinc/35/42/69/205354269.db2.gz BMRZUIUFYXPGLZ-RYUDHWBXSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333476701 205354273 /nfs/dbraw/zinc/35/42/73/205354273.db2.gz BMRZUIUFYXPGLZ-RYUDHWBXSA-N 2 1 270.377 -0.554 20 0 CBADMP CN1CC[C@H]([N@H+](C)CCC(=O)N2CC[NH+](C)CC2)C1=O ZINC000338313946 373030125 /nfs/dbraw/zinc/03/01/25/373030125.db2.gz HVSLMAQFTOJDKG-LBPRGKRZSA-N 2 1 282.388 -0.687 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)C1=O ZINC000338313946 373030135 /nfs/dbraw/zinc/03/01/35/373030135.db2.gz HVSLMAQFTOJDKG-LBPRGKRZSA-N 2 1 282.388 -0.687 20 0 CBADMP CC[NH+](C/C=C\C[N@H+](CC)CC(N)=O)CC(N)=O ZINC000355554654 284372719 /nfs/dbraw/zinc/37/27/19/284372719.db2.gz FQRIMGCFMWJQPN-WAYWQWQTSA-N 2 1 256.350 -0.843 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000333841924 373014356 /nfs/dbraw/zinc/01/43/56/373014356.db2.gz OJUBEIFWJLBTFA-RWMBFGLXSA-N 2 1 284.404 -0.165 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000347813015 373073928 /nfs/dbraw/zinc/07/39/28/373073928.db2.gz WIIZDNXEVGKYNP-GFCCVEGCSA-N 2 1 289.445 -0.146 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000347813015 373073933 /nfs/dbraw/zinc/07/39/33/373073933.db2.gz WIIZDNXEVGKYNP-GFCCVEGCSA-N 2 1 289.445 -0.146 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000347813015 373073937 /nfs/dbraw/zinc/07/39/37/373073937.db2.gz WIIZDNXEVGKYNP-GFCCVEGCSA-N 2 1 289.445 -0.146 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000351855830 373099751 /nfs/dbraw/zinc/09/97/51/373099751.db2.gz UANYRTXTSOGWMP-QWRGUYRKSA-N 2 1 263.407 -0.063 20 0 CBADMP CN1CCO[C@H](C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000352799069 373108239 /nfs/dbraw/zinc/10/82/39/373108239.db2.gz VYFSZYYMWFTHCU-XQQFMLRXSA-N 2 1 267.373 -0.130 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503570 373172224 /nfs/dbraw/zinc/17/22/24/373172224.db2.gz YTCCRTTWIKZRLY-UHFFFAOYSA-N 2 1 268.361 -0.092 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(=O)n(C)c1=O ZINC000353571131 220163567 /nfs/dbraw/zinc/16/35/67/220163567.db2.gz RBLYFPRIPXPNRI-LLVKDONJSA-N 2 1 280.372 -0.533 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(=O)n(C)c1=O ZINC000353571131 220163569 /nfs/dbraw/zinc/16/35/69/220163569.db2.gz RBLYFPRIPXPNRI-LLVKDONJSA-N 2 1 280.372 -0.533 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000360505212 373201919 /nfs/dbraw/zinc/20/19/19/373201919.db2.gz SWEWLKNPTVUFRX-YGRLFVJLSA-N 2 1 293.371 -0.367 20 0 CBADMP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000360505212 373201922 /nfs/dbraw/zinc/20/19/22/373201922.db2.gz SWEWLKNPTVUFRX-YGRLFVJLSA-N 2 1 293.371 -0.367 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000360505212 373201926 /nfs/dbraw/zinc/20/19/26/373201926.db2.gz SWEWLKNPTVUFRX-YGRLFVJLSA-N 2 1 293.371 -0.367 20 0 CBADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000360550578 373207751 /nfs/dbraw/zinc/20/77/51/373207751.db2.gz IPWJDADBCGZLJW-CQSZACIVSA-N 2 1 267.373 -0.079 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCSC)C1 ZINC000353581245 220172179 /nfs/dbraw/zinc/17/21/79/220172179.db2.gz NJKDIMSOWOEYBI-WDEREUQCSA-N 2 1 275.418 -0.096 20 0 CBADMP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1COCC[NH2+]1 ZINC000361077694 373260014 /nfs/dbraw/zinc/26/00/14/373260014.db2.gz CUUFVRLEUJZBQT-QJPTWQEYSA-N 2 1 253.346 -0.521 20 0 CBADMP CNC(=O)C[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000361106217 373264303 /nfs/dbraw/zinc/26/43/03/373264303.db2.gz DXGNYSXWXVSWEK-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000353594869 220179587 /nfs/dbraw/zinc/17/95/87/220179587.db2.gz ZCELLOYTPSILOG-SDDRHHMPSA-N 2 1 284.404 -0.184 20 0 CBADMP CCCC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000353594829 220179268 /nfs/dbraw/zinc/17/92/68/220179268.db2.gz YYUJGHKXXFNBLP-NEPJUHHUSA-N 2 1 284.404 -0.040 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362501882 373419424 /nfs/dbraw/zinc/41/94/24/373419424.db2.gz XECKLZLNDCAKOJ-YPMHNXCESA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362501882 373419432 /nfs/dbraw/zinc/41/94/32/373419432.db2.gz XECKLZLNDCAKOJ-YPMHNXCESA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)[NH+]1CCC([NH2+]CCNS(=O)(=O)N(C)C)CC1 ZINC000362323179 373392891 /nfs/dbraw/zinc/39/28/91/373392891.db2.gz NMVQKINKUDCXDR-UHFFFAOYSA-N 2 1 292.449 -0.155 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000362763875 373445477 /nfs/dbraw/zinc/44/54/77/373445477.db2.gz WZWRGWHMEUCJQX-MGPQQGTHSA-N 2 1 282.432 -0.064 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000362768631 373447344 /nfs/dbraw/zinc/44/73/44/373447344.db2.gz FXMCQSAJGUSFBZ-CHWSQXEVSA-N 2 1 296.415 -0.536 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000362768631 373447350 /nfs/dbraw/zinc/44/73/50/373447350.db2.gz FXMCQSAJGUSFBZ-CHWSQXEVSA-N 2 1 296.415 -0.536 20 0 CBADMP CC(C)([NH3+])CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362662036 373433863 /nfs/dbraw/zinc/43/38/63/373433863.db2.gz GVKDCJYGJWANCG-LLVKDONJSA-N 2 1 254.378 -0.380 20 0 CBADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365333669 373523370 /nfs/dbraw/zinc/52/33/70/373523370.db2.gz YQOCELAMSDVQCB-FIQHERPVSA-N 2 1 253.346 -0.596 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C[C@@H]1C ZINC000376243754 373568228 /nfs/dbraw/zinc/56/82/28/373568228.db2.gz GUNFJXIMJSLEPT-ABHRYQDASA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C[C@@H]1C ZINC000376243754 373568239 /nfs/dbraw/zinc/56/82/39/373568239.db2.gz GUNFJXIMJSLEPT-ABHRYQDASA-N 2 1 281.400 -0.101 20 0 CBADMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000377291998 373576134 /nfs/dbraw/zinc/57/61/34/373576134.db2.gz OLJFBDSPLKMBKL-UMSGYPCISA-N 2 1 267.373 -0.206 20 0 CBADMP COCCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000378203764 373578777 /nfs/dbraw/zinc/57/87/77/373578777.db2.gz RMERQUGPJVDYFS-ZDUSSCGKSA-N 2 1 285.388 -0.454 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417096215 373627822 /nfs/dbraw/zinc/62/78/22/373627822.db2.gz VTKXABMMWKTQOD-QWRGUYRKSA-N 2 1 260.382 -0.010 20 0 CBADMP CC[N@@H+](CCNC(=O)NC[C@H]1C[NH2+]CCN1C)C1CC1 ZINC000417432862 373627928 /nfs/dbraw/zinc/62/79/28/373627928.db2.gz UIWSFRJDBNRHGR-CYBMUJFWSA-N 2 1 283.420 -0.327 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000418477217 373631762 /nfs/dbraw/zinc/63/17/62/373631762.db2.gz UTCTZIKPGKHJBN-SRVKXCTJSA-N 2 1 272.393 -0.322 20 0 CBADMP COC[C@@]1(CNC(=O)NCC(F)(F)C[NH3+])CCC[NH2+]1 ZINC000418508732 373631865 /nfs/dbraw/zinc/63/18/65/373631865.db2.gz FDYCWLMAPPJOFS-JTQLQIEISA-N 2 1 280.319 -0.352 20 0 CBADMP 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 373633257 /nfs/dbraw/zinc/63/32/57/373633257.db2.gz IBTMOMAGQDYIML-YYNVLWEHSA-N 2 1 252.362 -0.062 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)[C@H](C)C[NH2+]1 ZINC000419095534 373634797 /nfs/dbraw/zinc/63/47/97/373634797.db2.gz CLBFIXXBLMRZTN-GHMZBOCLSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419032406 373636136 /nfs/dbraw/zinc/63/61/36/373636136.db2.gz WMQLSZWONGXIHN-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000423392081 373658366 /nfs/dbraw/zinc/65/83/66/373658366.db2.gz XJKQJGDWERMODE-AGIUHOORSA-N 2 1 296.415 -0.409 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[NH3+])CC[N@@H+]1C ZINC000419829732 373641094 /nfs/dbraw/zinc/64/10/94/373641094.db2.gz FGWWATBBCKCULJ-LLVKDONJSA-N 2 1 270.377 -0.750 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[NH3+])CC[N@H+]1C ZINC000419829732 373641099 /nfs/dbraw/zinc/64/10/99/373641099.db2.gz FGWWATBBCKCULJ-LLVKDONJSA-N 2 1 270.377 -0.750 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC[N@@H+]1C ZINC000419855546 373641209 /nfs/dbraw/zinc/64/12/09/373641209.db2.gz CXYRWOCFLGWKAW-STQMWFEESA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC[N@H+]1C ZINC000419855546 373641214 /nfs/dbraw/zinc/64/12/14/373641214.db2.gz CXYRWOCFLGWKAW-STQMWFEESA-N 2 1 296.415 -0.362 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C(C)C ZINC000419837426 373641555 /nfs/dbraw/zinc/64/15/55/373641555.db2.gz CUROXTMHNDWDTL-LBPRGKRZSA-N 2 1 284.404 -0.299 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000423392081 373658377 /nfs/dbraw/zinc/65/83/77/373658377.db2.gz XJKQJGDWERMODE-AGIUHOORSA-N 2 1 296.415 -0.409 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420074708 373648262 /nfs/dbraw/zinc/64/82/62/373648262.db2.gz IPVYRHVSBREERU-LLVKDONJSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420074708 373648273 /nfs/dbraw/zinc/64/82/73/373648273.db2.gz IPVYRHVSBREERU-LLVKDONJSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@@H+]1C ZINC000420058952 373648611 /nfs/dbraw/zinc/64/86/11/373648611.db2.gz JHRXDOMHZKKQPB-STQMWFEESA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@H+]1C ZINC000420058952 373648617 /nfs/dbraw/zinc/64/86/17/373648617.db2.gz JHRXDOMHZKKQPB-STQMWFEESA-N 2 1 296.415 -0.362 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)C(C)C ZINC000420103307 373649030 /nfs/dbraw/zinc/64/90/30/373649030.db2.gz PGIKMFMWANTQAD-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000422767651 373652927 /nfs/dbraw/zinc/65/29/27/373652927.db2.gz YQCIFRYXPKUJAQ-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000422767651 373652935 /nfs/dbraw/zinc/65/29/35/373652935.db2.gz YQCIFRYXPKUJAQ-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423353137 373655678 /nfs/dbraw/zinc/65/56/78/373655678.db2.gz CPZKWXYQADQULM-CYBMUJFWSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423353137 373655687 /nfs/dbraw/zinc/65/56/87/373655687.db2.gz CPZKWXYQADQULM-CYBMUJFWSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000427290682 373668770 /nfs/dbraw/zinc/66/87/70/373668770.db2.gz BUJZDQMLERCMNR-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000430797801 373675272 /nfs/dbraw/zinc/67/52/72/373675272.db2.gz FTSRNQFEKXRPQA-CYBMUJFWSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430934484 373675884 /nfs/dbraw/zinc/67/58/84/373675884.db2.gz OZAZJVDDGGONTL-ZJUUUORDSA-N 2 1 256.350 -0.110 20 0 CBADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430934484 373675890 /nfs/dbraw/zinc/67/58/90/373675890.db2.gz OZAZJVDDGGONTL-ZJUUUORDSA-N 2 1 256.350 -0.110 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000454433623 373693153 /nfs/dbraw/zinc/69/31/53/373693153.db2.gz KRVFZIPGQTUFHJ-NSHDSACASA-N 2 1 260.382 -0.186 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2COC[C@H]2O)CC1 ZINC000463080928 373695384 /nfs/dbraw/zinc/69/53/84/373695384.db2.gz AQLJPSWFSMFTMK-KWCYVHTRSA-N 2 1 272.389 -0.229 20 0 CBADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479277522 373698701 /nfs/dbraw/zinc/69/87/01/373698701.db2.gz YQOCELAMSDVQCB-NNYUYHANSA-N 2 1 253.346 -0.596 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000493766423 373729558 /nfs/dbraw/zinc/72/95/58/373729558.db2.gz JIZUTZMODSVVBV-DCAQKATOSA-N 2 1 270.377 -0.574 20 0 CBADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000515073205 373777198 /nfs/dbraw/zinc/77/71/98/373777198.db2.gz NGLPWLZERHLINK-NEPJUHHUSA-N 2 1 252.362 -0.770 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000516285756 373810208 /nfs/dbraw/zinc/81/02/08/373810208.db2.gz YGNVSCQHRIEEQS-WOPDTQHZSA-N 2 1 255.362 -0.097 20 0 CBADMP COC[C@]1(C(=O)NCC(F)(F)C[NH3+])CC[NH2+]C1 ZINC000519774142 373824704 /nfs/dbraw/zinc/82/47/04/373824704.db2.gz WOHWJNQSWOIPPD-VIFPVBQESA-N 2 1 251.277 -0.677 20 0 CBADMP CNS(=O)(=O)NC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000519825802 373826083 /nfs/dbraw/zinc/82/60/83/373826083.db2.gz KZZUQTNIYHDKCM-GFCCVEGCSA-N 2 1 290.433 -0.496 20 0 CBADMP CC(C)[NH2+]CCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000520203983 373827427 /nfs/dbraw/zinc/82/74/27/373827427.db2.gz ZJJXFIJSFMIKAM-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000515351741 373784733 /nfs/dbraw/zinc/78/47/33/373784733.db2.gz VPWHOYYSTPVPCK-CWSCBRNRSA-N 2 1 275.356 -0.080 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000516065943 373802276 /nfs/dbraw/zinc/80/22/76/373802276.db2.gz ZIYOWUFKUYUPJW-NSHDSACASA-N 2 1 271.361 -0.321 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)C1 ZINC000521269931 373841215 /nfs/dbraw/zinc/84/12/15/373841215.db2.gz GTYQPCDYFGTAFB-HIFRSBDPSA-N 2 1 297.399 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)C1 ZINC000521269931 373841220 /nfs/dbraw/zinc/84/12/20/373841220.db2.gz GTYQPCDYFGTAFB-HIFRSBDPSA-N 2 1 297.399 -0.720 20 0 CBADMP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000522002315 373855980 /nfs/dbraw/zinc/85/59/80/373855980.db2.gz SBQXLVSGIXRQER-QWHCGFSZSA-N 2 1 268.405 -0.038 20 0 CBADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000529297268 373999188 /nfs/dbraw/zinc/99/91/88/373999188.db2.gz HWNCBEVPGCCXQM-JHJVBQTASA-N 2 1 282.388 -0.099 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529376721 374016887 /nfs/dbraw/zinc/01/68/87/374016887.db2.gz SAVPENNNVUKBIJ-AGIUHOORSA-N 2 1 284.404 -0.044 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529378664 374019862 /nfs/dbraw/zinc/01/98/62/374019862.db2.gz XTOFVPOBJAIINS-CHWSQXEVSA-N 2 1 284.404 -0.042 20 0 CBADMP CN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000529384042 374022024 /nfs/dbraw/zinc/02/20/24/374022024.db2.gz XWGPQQGHMYZQCT-YPMHNXCESA-N 2 1 282.388 -0.147 20 0 CBADMP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3COCC[NH2+]3)C2)C1 ZINC000529386327 374024479 /nfs/dbraw/zinc/02/44/79/374024479.db2.gz KXLWEZFOUTURNF-OCCSQVGLSA-N 2 1 282.388 -0.288 20 0 CBADMP O=C(N1CCNCC1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000530220733 374066980 /nfs/dbraw/zinc/06/69/80/374066980.db2.gz AOAQQBATVVOVHR-UHFFFAOYSA-N 2 1 295.431 -0.371 20 0 CBADMP CCOC[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000530230898 374069531 /nfs/dbraw/zinc/06/95/31/374069531.db2.gz DHMBBBCGFGZQKA-CYBMUJFWSA-N 2 1 257.378 -0.371 20 0 CBADMP CCOC[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000530230898 374069536 /nfs/dbraw/zinc/06/95/36/374069536.db2.gz DHMBBBCGFGZQKA-CYBMUJFWSA-N 2 1 257.378 -0.371 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@]2(C)CO)CC1 ZINC000548914337 374222277 /nfs/dbraw/zinc/22/22/77/374222277.db2.gz DTRCQQSLYQWBGQ-AWEZNQCLSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@]2(C)CO)CC1 ZINC000548914337 374222287 /nfs/dbraw/zinc/22/22/87/374222287.db2.gz DTRCQQSLYQWBGQ-AWEZNQCLSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000549404410 374226416 /nfs/dbraw/zinc/22/64/16/374226416.db2.gz QKTLZLDYBPTPDJ-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000551842989 374247249 /nfs/dbraw/zinc/24/72/49/374247249.db2.gz RWJFNVNENFTGJW-CHWSQXEVSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000551842989 374247254 /nfs/dbraw/zinc/24/72/54/374247254.db2.gz RWJFNVNENFTGJW-CHWSQXEVSA-N 2 1 268.405 -0.310 20 0 CBADMP Cc1ncc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)n1C ZINC000564739044 374327543 /nfs/dbraw/zinc/32/75/43/374327543.db2.gz AMOHULCIFNBWRU-UHFFFAOYSA-N 2 1 279.388 -0.018 20 0 CBADMP C[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000577850999 374339906 /nfs/dbraw/zinc/33/99/06/374339906.db2.gz WVIVUBKBPDUUMM-STQMWFEESA-N 2 1 268.405 -0.262 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CCOC3C[NH2+]C3)[C@@H]2C1 ZINC000583320411 374361179 /nfs/dbraw/zinc/36/11/79/374361179.db2.gz SJDHNZUCBGZMQR-DGCLKSJQSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@H]1COCCN1CC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000583495024 374363638 /nfs/dbraw/zinc/36/36/38/374363638.db2.gz NVANSKCSRGYGMJ-JSGCOSHPSA-N 2 1 271.405 -0.248 20 0 CBADMP O=C(NCC[N@@H+]1CC=CCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000584400655 374371029 /nfs/dbraw/zinc/37/10/29/374371029.db2.gz KFVCXXKAGXCDOX-ZDUSSCGKSA-N 2 1 282.388 -0.074 20 0 CBADMP C[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000606347546 374380183 /nfs/dbraw/zinc/38/01/83/374380183.db2.gz APKJZTGTFPGTEQ-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP COCC[N@H+]1CC[C@H](NC[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000644554022 374592768 /nfs/dbraw/zinc/59/27/68/374592768.db2.gz FMYCYTITOFWGIG-GXTWGEPZSA-N 2 1 271.405 -0.248 20 0 CBADMP COCC[NH+]1CC[C@H](NC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000644554022 374592775 /nfs/dbraw/zinc/59/27/75/374592775.db2.gz FMYCYTITOFWGIG-GXTWGEPZSA-N 2 1 271.405 -0.248 20 0 CBADMP COCC[NH+]1CC[C@H](NC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644554022 374592781 /nfs/dbraw/zinc/59/27/81/374592781.db2.gz FMYCYTITOFWGIG-GXTWGEPZSA-N 2 1 271.405 -0.248 20 0 CBADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000645131569 374645158 /nfs/dbraw/zinc/64/51/58/374645158.db2.gz VVMSMYAHVOHOOU-CQSZACIVSA-N 2 1 290.367 -0.423 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000645684889 374692276 /nfs/dbraw/zinc/69/22/76/374692276.db2.gz LWJVYQVUJBXKQT-JTQLQIEISA-N 2 1 266.349 -0.549 20 0 CBADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000646242893 374763156 /nfs/dbraw/zinc/76/31/56/374763156.db2.gz ITQDXWKLYXXISH-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000646208007 374755748 /nfs/dbraw/zinc/75/57/48/374755748.db2.gz PHUDZXJBDZYGDD-JQWIXIFHSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000646215492 374759801 /nfs/dbraw/zinc/75/98/01/374759801.db2.gz OMPHFPGCVSLAQW-TUAOUCFPSA-N 2 1 272.393 -0.180 20 0 CBADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000646215494 374759836 /nfs/dbraw/zinc/75/98/36/374759836.db2.gz OMPHFPGCVSLAQW-WOPDTQHZSA-N 2 1 272.393 -0.180 20 0 CBADMP CC(C)([NH3+])CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000645869609 374709862 /nfs/dbraw/zinc/70/98/62/374709862.db2.gz LTWVXTDMKXUCCW-NSHDSACASA-N 2 1 284.404 -0.183 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)COCC[NH3+] ZINC000645905741 374712569 /nfs/dbraw/zinc/71/25/69/374712569.db2.gz ZUSOPGXNDZPBEJ-LLVKDONJSA-N 2 1 259.350 -0.811 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)CC2([NH3+])CCC2)CC1 ZINC000645961364 374719502 /nfs/dbraw/zinc/71/95/02/374719502.db2.gz XPCCSMNJVQQXPU-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@H](F)C[NH2+]3)C2)CC1 ZINC000645977465 374720567 /nfs/dbraw/zinc/72/05/67/374720567.db2.gz AFBSYOGEJCXHPT-SGMGOOAPSA-N 2 1 298.406 -0.029 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3C[C@H](F)C[NH2+]3)C2)CC1 ZINC000645977465 374720572 /nfs/dbraw/zinc/72/05/72/374720572.db2.gz AFBSYOGEJCXHPT-SGMGOOAPSA-N 2 1 298.406 -0.029 20 0 CBADMP C[C@@H]([NH3+])CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000646003145 374725179 /nfs/dbraw/zinc/72/51/79/374725179.db2.gz UKCFQNLKAZEZFE-OLZOCXBDSA-N 2 1 268.405 -0.038 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)C1 ZINC000646003123 374725204 /nfs/dbraw/zinc/72/52/04/374725204.db2.gz SQEURUSZXQEPMA-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP CC(C)([NH3+])CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009327 374726234 /nfs/dbraw/zinc/72/62/34/374726234.db2.gz BAKOZKTURDWBPX-CYBMUJFWSA-N 2 1 298.431 -0.364 20 0 CBADMP [NH3+]C1(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCC1 ZINC000646009507 374726282 /nfs/dbraw/zinc/72/62/82/374726282.db2.gz OIDJXNAJKYOCHV-ZDUSSCGKSA-N 2 1 296.415 -0.610 20 0 CBADMP C[C@H](CNC(=O)COCC[NH3+])C[NH+]1CCOCC1 ZINC000646047357 374735136 /nfs/dbraw/zinc/73/51/36/374735136.db2.gz QMCUUJOUALQHCH-LLVKDONJSA-N 2 1 259.350 -0.954 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000646242830 374762444 /nfs/dbraw/zinc/76/24/44/374762444.db2.gz CPYRCJFNHWNLBJ-UHFFFAOYSA-N 2 1 296.415 -0.120 20 0 CBADMP C[NH+]1CCC2(CC1)C[N@H+](CCN1C(=O)CCC1=O)CCO2 ZINC000646104013 374740443 /nfs/dbraw/zinc/74/04/43/374740443.db2.gz VXDDZFDEZOOAGM-UHFFFAOYSA-N 2 1 295.383 -0.068 20 0 CBADMP C[NH+]1CCC2(CC1)C[N@@H+](CCN1C(=O)CCC1=O)CCO2 ZINC000646104013 374740445 /nfs/dbraw/zinc/74/04/45/374740445.db2.gz VXDDZFDEZOOAGM-UHFFFAOYSA-N 2 1 295.383 -0.068 20 0 CBADMP [NH3+][C@@H](C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000646637169 374798400 /nfs/dbraw/zinc/79/84/00/374798400.db2.gz YMUSWJIFKNWQNT-CYBMUJFWSA-N 2 1 276.340 -0.766 20 0 CBADMP C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[NH+](C)CC3)C2)C1 ZINC000647034622 374866176 /nfs/dbraw/zinc/86/61/76/374866176.db2.gz DBLSPOGWABBULA-HNNXBMFYSA-N 2 1 280.416 -0.212 20 0 CBADMP C[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[NH+](C)CC3)C2)C1 ZINC000647034622 374866180 /nfs/dbraw/zinc/86/61/80/374866180.db2.gz DBLSPOGWABBULA-HNNXBMFYSA-N 2 1 280.416 -0.212 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000647080819 374881417 /nfs/dbraw/zinc/88/14/17/374881417.db2.gz PZNMUHKEOXBVED-STQMWFEESA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CO1 ZINC000647179879 374890657 /nfs/dbraw/zinc/89/06/57/374890657.db2.gz UPFJATFKOUGFQU-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000574573105 335030696 /nfs/dbraw/zinc/03/06/96/335030696.db2.gz QJVZFZWHNJUBLS-VXGBXAGGSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)N1CCNCC1 ZINC000574573105 335030699 /nfs/dbraw/zinc/03/06/99/335030699.db2.gz QJVZFZWHNJUBLS-VXGBXAGGSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)N1CCNCC1 ZINC000574573105 335030700 /nfs/dbraw/zinc/03/07/00/335030700.db2.gz QJVZFZWHNJUBLS-VXGBXAGGSA-N 2 1 254.378 -0.523 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CCC[NH2+]2)n1C ZINC000261717966 190042806 /nfs/dbraw/zinc/04/28/06/190042806.db2.gz NFCWWBOCOWXPAI-SNVBAGLBSA-N 2 1 251.334 -0.146 20 0 CBADMP [NH3+][C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000261884679 190045753 /nfs/dbraw/zinc/04/57/53/190045753.db2.gz YXROSBHCNJANGI-BFHYXJOUSA-N 2 1 275.352 -0.072 20 0 CBADMP CC[N@@H+](C)CCNC(=O)NCCN1CCOC[C@@H]1C ZINC000356210896 248213746 /nfs/dbraw/zinc/21/37/46/248213746.db2.gz UYDJAMVXMGYDKO-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C[C@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000357181141 248332140 /nfs/dbraw/zinc/33/21/40/248332140.db2.gz WTMLSHTXOQVDHO-NXEZZACHSA-N 2 1 256.350 -0.963 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000357250282 248339370 /nfs/dbraw/zinc/33/93/70/248339370.db2.gz UAYXKZZMCMEXAW-NQBHXWOUSA-N 2 1 267.373 -0.036 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@]2(COC)CCC[NH2+]2)C1 ZINC000357268908 248343683 /nfs/dbraw/zinc/34/36/83/248343683.db2.gz HHPRQKNHCKQUPJ-JSGCOSHPSA-N 2 1 285.388 -0.408 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@]2(COC)CCC[NH2+]2)C1 ZINC000357268908 248343687 /nfs/dbraw/zinc/34/36/87/248343687.db2.gz HHPRQKNHCKQUPJ-JSGCOSHPSA-N 2 1 285.388 -0.408 20 0 CBADMP C[NH+](C)C/C=C/C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000265687876 190200433 /nfs/dbraw/zinc/20/04/33/190200433.db2.gz MGGCEUOQRLXIPP-NTYUQYKDSA-N 2 1 282.388 -0.440 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000574680998 335039026 /nfs/dbraw/zinc/03/90/26/335039026.db2.gz WPKQHVCGTASUHM-STQMWFEESA-N 2 1 283.420 -0.374 20 0 CBADMP [NH3+][C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000418494363 295294764 /nfs/dbraw/zinc/29/47/64/295294764.db2.gz XSZZPDNRPRICAU-OLZOCXBDSA-N 2 1 284.404 -0.130 20 0 CBADMP C[NH+]1CCC(CC(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000346829896 218027629 /nfs/dbraw/zinc/02/76/29/218027629.db2.gz ZBUKCDUHCHHTGX-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP Cn1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(=O)n(C)c1=O ZINC000347013346 218092967 /nfs/dbraw/zinc/09/29/67/218092967.db2.gz HYOBRWBNIJFEJX-FUNVUKJBSA-N 2 1 292.383 -0.201 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000347186987 218150123 /nfs/dbraw/zinc/15/01/23/218150123.db2.gz FTIMUSCBQGIDQV-GFCCVEGCSA-N 2 1 274.409 -0.060 20 0 CBADMP COC1CC([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000347293035 218179390 /nfs/dbraw/zinc/17/93/90/218179390.db2.gz SGEQMHJDGWMNOP-UHFFFAOYSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H](NC(=O)[C@H]([NH3+])CC(N)=O)C(C)(C)C[NH+](C)C ZINC000353699446 220265261 /nfs/dbraw/zinc/26/52/61/220265261.db2.gz HEDCYVIZFMZSIL-RKDXNWHRSA-N 2 1 258.366 -0.718 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)C[NH3+])C[C@@H]1C ZINC000347607542 218290395 /nfs/dbraw/zinc/29/03/95/218290395.db2.gz CBSSKKOKLXTSNO-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)C[NH3+])[C@@H](C)C1 ZINC000347651338 218307144 /nfs/dbraw/zinc/30/71/44/218307144.db2.gz RHLMUSCRPYUWRH-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000347833142 218371361 /nfs/dbraw/zinc/37/13/61/218371361.db2.gz CRGBKTFHTDFEKF-GFCCVEGCSA-N 2 1 256.394 -0.311 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347833142 218371363 /nfs/dbraw/zinc/37/13/63/218371363.db2.gz CRGBKTFHTDFEKF-GFCCVEGCSA-N 2 1 256.394 -0.311 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347833142 218371365 /nfs/dbraw/zinc/37/13/65/218371365.db2.gz CRGBKTFHTDFEKF-GFCCVEGCSA-N 2 1 256.394 -0.311 20 0 CBADMP O=C1CCC(=O)N1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261561883 296315559 /nfs/dbraw/zinc/31/55/59/296315559.db2.gz GEBYUUNNZBZOSY-WDEREUQCSA-N 2 1 251.330 -0.323 20 0 CBADMP O=C1CCC(=O)N1CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261561883 296315560 /nfs/dbraw/zinc/31/55/60/296315560.db2.gz GEBYUUNNZBZOSY-WDEREUQCSA-N 2 1 251.330 -0.323 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)c(=O)n(C)c1=O)C[NH+]1CCCC1 ZINC000058872141 207357607 /nfs/dbraw/zinc/35/76/07/207357607.db2.gz FSXCKZUSCYDSSE-LBPRGKRZSA-N 2 1 294.399 -0.095 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417439658 207555429 /nfs/dbraw/zinc/55/54/29/207555429.db2.gz MMAWOZKCMUQOQR-NSHDSACASA-N 2 1 258.366 -0.399 20 0 CBADMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418359312 207579642 /nfs/dbraw/zinc/57/96/42/207579642.db2.gz FBHPLGDGOLSNBX-RYUDHWBXSA-N 2 1 270.377 -0.554 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000376720975 532982881 /nfs/dbraw/zinc/98/28/81/532982881.db2.gz OUQCVPNLKLMDNT-CMPLNLGQSA-N 2 1 259.325 -0.475 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C1(OC)CC[NH2+]CC1 ZINC000167264281 285019581 /nfs/dbraw/zinc/01/95/81/285019581.db2.gz NYUJJKBTINFXNY-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000419989599 207772765 /nfs/dbraw/zinc/77/27/65/207772765.db2.gz GWRFIPGBBYXETC-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237092321 285035762 /nfs/dbraw/zinc/03/57/62/285035762.db2.gz ILRUQAYUVUWIGJ-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419887868 207754481 /nfs/dbraw/zinc/75/44/81/207754481.db2.gz JNHABEUOIWCDPC-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000426308844 208046285 /nfs/dbraw/zinc/04/62/85/208046285.db2.gz GQZKIAKPSPVWJB-KBPBESRZSA-N 2 1 280.416 -0.025 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426308844 208046292 /nfs/dbraw/zinc/04/62/92/208046292.db2.gz GQZKIAKPSPVWJB-KBPBESRZSA-N 2 1 280.416 -0.025 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426308844 208046297 /nfs/dbraw/zinc/04/62/97/208046297.db2.gz GQZKIAKPSPVWJB-KBPBESRZSA-N 2 1 280.416 -0.025 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000427472899 208062466 /nfs/dbraw/zinc/06/24/66/208062466.db2.gz SUJGKOZEPBYRLN-OCCSQVGLSA-N 2 1 267.373 -0.204 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000427472899 208062468 /nfs/dbraw/zinc/06/24/68/208062468.db2.gz SUJGKOZEPBYRLN-OCCSQVGLSA-N 2 1 267.373 -0.204 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)C1 ZINC000427472899 208062473 /nfs/dbraw/zinc/06/24/73/208062473.db2.gz SUJGKOZEPBYRLN-OCCSQVGLSA-N 2 1 267.373 -0.204 20 0 CBADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCOCC1 ZINC000428038836 208077429 /nfs/dbraw/zinc/07/74/29/208077429.db2.gz ZNOLXHVXYDJCDC-OLZOCXBDSA-N 2 1 267.373 -0.081 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCOCC1 ZINC000428038836 208077436 /nfs/dbraw/zinc/07/74/36/208077436.db2.gz ZNOLXHVXYDJCDC-OLZOCXBDSA-N 2 1 267.373 -0.081 20 0 CBADMP CC[C@H]1CN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000428086315 208077480 /nfs/dbraw/zinc/07/74/80/208077480.db2.gz BCIIOVKLXFLWRK-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CC[C@H]1CN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000428086315 208077484 /nfs/dbraw/zinc/07/74/84/208077484.db2.gz BCIIOVKLXFLWRK-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCOCC1 ZINC000428038838 208078034 /nfs/dbraw/zinc/07/80/34/208078034.db2.gz ZNOLXHVXYDJCDC-STQMWFEESA-N 2 1 267.373 -0.081 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCOCC1 ZINC000428038838 208078045 /nfs/dbraw/zinc/07/80/45/208078045.db2.gz ZNOLXHVXYDJCDC-STQMWFEESA-N 2 1 267.373 -0.081 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000429685746 208128431 /nfs/dbraw/zinc/12/84/31/208128431.db2.gz PZMGLBOIYZJALO-ZDUSSCGKSA-N 2 1 269.389 -0.145 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](CO)C2)CC1 ZINC000429685746 208128437 /nfs/dbraw/zinc/12/84/37/208128437.db2.gz PZMGLBOIYZJALO-ZDUSSCGKSA-N 2 1 269.389 -0.145 20 0 CBADMP CC(C)[C@@H]1C(=O)NCC[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000429672480 208128486 /nfs/dbraw/zinc/12/84/86/208128486.db2.gz DSQMGNFNWVZYIM-CQSZACIVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CCN(C(=O)CC[N@@H+](C)CC(=O)NC(C)(C)C)CC1 ZINC000429671374 208129527 /nfs/dbraw/zinc/12/95/27/208129527.db2.gz KPWYRAYRGDBRKK-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH2+]CC1CC[NH+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000430561885 208165926 /nfs/dbraw/zinc/16/59/26/208165926.db2.gz OSFOBHFJFUDHPX-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP COCCCS(=O)(=O)NCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430586072 208166584 /nfs/dbraw/zinc/16/65/84/208166584.db2.gz XXMFSSOMSRUXNF-LBPRGKRZSA-N 2 1 295.449 -0.095 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@H]([NH3+])C2)CC1 ZINC000430589651 208166709 /nfs/dbraw/zinc/16/67/09/208166709.db2.gz FJKAOYIPLMEMBM-RYUDHWBXSA-N 2 1 254.378 -0.428 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[C@@H]([NH3+])C2)C1 ZINC000430618657 208168190 /nfs/dbraw/zinc/16/81/90/208168190.db2.gz VYTBTDYGIHVMCH-KGLIPLIRSA-N 2 1 298.431 -0.508 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000430729637 208175552 /nfs/dbraw/zinc/17/55/52/208175552.db2.gz HBETUTMURFCMCY-RYUDHWBXSA-N 2 1 271.361 -0.798 20 0 CBADMP C[N@@H+](CCCN1CCOCC1)CC(=O)N1CC[NH2+]CC1 ZINC000430635688 208170182 /nfs/dbraw/zinc/17/01/82/208170182.db2.gz HQPYXZCRPURZFO-UHFFFAOYSA-N 2 1 284.404 -0.928 20 0 CBADMP O=C(COC1C[NH2+]C1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000430673485 208171583 /nfs/dbraw/zinc/17/15/83/208171583.db2.gz CYAFUPLPVQTLTK-VXGBXAGGSA-N 2 1 253.346 -0.282 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000430705981 208172703 /nfs/dbraw/zinc/17/27/03/208172703.db2.gz BYQQQCIYBXTMNY-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@H+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000430705981 208172707 /nfs/dbraw/zinc/17/27/07/208172707.db2.gz BYQQQCIYBXTMNY-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)COC1C[NH2+]C1 ZINC000430676569 208172984 /nfs/dbraw/zinc/17/29/84/208172984.db2.gz BZCRZPUVTRXYTA-SNVBAGLBSA-N 2 1 266.345 -0.068 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430725526 208175901 /nfs/dbraw/zinc/17/59/01/208175901.db2.gz XNFDOCXUCUTDJC-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430725526 208175908 /nfs/dbraw/zinc/17/59/08/208175908.db2.gz XNFDOCXUCUTDJC-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[NH2+]CC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000094460176 285075513 /nfs/dbraw/zinc/07/55/13/285075513.db2.gz DLAXGOVMSLLVSR-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[NH2+]CC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000094460177 285075649 /nfs/dbraw/zinc/07/56/49/285075649.db2.gz DLAXGOVMSLLVSR-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000430794313 208180702 /nfs/dbraw/zinc/18/07/02/208180702.db2.gz POHFUHZEZNTRSY-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000430790351 208182287 /nfs/dbraw/zinc/18/22/87/208182287.db2.gz HDYHFBHJDHBTGT-UHFFFAOYSA-N 2 1 270.377 -0.654 20 0 CBADMP C[C@]1(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000430892993 208187194 /nfs/dbraw/zinc/18/71/94/208187194.db2.gz HKSRQXNSBPHIPA-DOMZBBRYSA-N 2 1 296.415 -0.310 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000430886509 208187760 /nfs/dbraw/zinc/18/77/60/208187760.db2.gz AMQDAQDCVXHRCZ-STQMWFEESA-N 2 1 296.415 -0.168 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000430892250 208188326 /nfs/dbraw/zinc/18/83/26/208188326.db2.gz CCEARPIDGKWWFZ-YNEHKIRRSA-N 2 1 296.415 -0.183 20 0 CBADMP COCC[NH2+]CCNC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000418571706 285078660 /nfs/dbraw/zinc/07/86/60/285078660.db2.gz ZDXHOOKAQICGBC-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CC1CC[NH2+]CC1 ZINC000430897128 208189602 /nfs/dbraw/zinc/18/96/02/208189602.db2.gz KEIIECGGEFXOMK-CYBMUJFWSA-N 2 1 296.415 -0.168 20 0 CBADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430934482 208193599 /nfs/dbraw/zinc/19/35/99/208193599.db2.gz OZAZJVDDGGONTL-VHSXEESVSA-N 2 1 256.350 -0.110 20 0 CBADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430934482 208193606 /nfs/dbraw/zinc/19/36/06/208193606.db2.gz OZAZJVDDGGONTL-VHSXEESVSA-N 2 1 256.350 -0.110 20 0 CBADMP C[NH2+]C1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000430961691 208194296 /nfs/dbraw/zinc/19/42/96/208194296.db2.gz AECQLTPMWIVLKM-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000431012919 208197509 /nfs/dbraw/zinc/19/75/09/208197509.db2.gz HAEKQOCJQJRPCG-MCIONIFRSA-N 2 1 297.399 -0.456 20 0 CBADMP O=C(COC1C[NH2+]C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000431053522 208201719 /nfs/dbraw/zinc/20/17/19/208201719.db2.gz OGDCBAOHIICECE-LLVKDONJSA-N 2 1 253.346 -0.329 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000435091846 208273832 /nfs/dbraw/zinc/27/38/32/208273832.db2.gz OOFNJDFYLGQFHE-OAHLLOKOSA-N 2 1 296.415 -0.344 20 0 CBADMP CCCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436046828 208288590 /nfs/dbraw/zinc/28/85/90/208288590.db2.gz CKLVPDSSFNWSHV-GFCCVEGCSA-N 2 1 284.404 -0.168 20 0 CBADMP CCCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436046828 208288596 /nfs/dbraw/zinc/28/85/96/208288596.db2.gz CKLVPDSSFNWSHV-GFCCVEGCSA-N 2 1 284.404 -0.168 20 0 CBADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000443065366 208377525 /nfs/dbraw/zinc/37/75/25/208377525.db2.gz ZRILHJMZQRVZJL-NSHDSACASA-N 2 1 268.361 -0.994 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000574812583 335049449 /nfs/dbraw/zinc/04/94/49/335049449.db2.gz WUQZGBNUANTKTR-KOLCDFICSA-N 2 1 292.339 -0.274 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNC(C)=O ZINC000338093346 285243717 /nfs/dbraw/zinc/24/37/17/285243717.db2.gz NCZAXIDRKVQDML-CQSZACIVSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419980819 285255964 /nfs/dbraw/zinc/25/59/64/285255964.db2.gz RJZFNJBXEATJNW-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)COC1C[NH2+]C1 ZINC000430730875 285271274 /nfs/dbraw/zinc/27/12/74/285271274.db2.gz UBQJOYRGBVXWIZ-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNC(C)=O ZINC000338093345 285276404 /nfs/dbraw/zinc/27/64/04/285276404.db2.gz NCZAXIDRKVQDML-AWEZNQCLSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420011284 285285023 /nfs/dbraw/zinc/28/50/23/285285023.db2.gz YQJTXITZNLIWDO-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000574876683 335054283 /nfs/dbraw/zinc/05/42/83/335054283.db2.gz BKOSNBICPOWCKN-NSHDSACASA-N 2 1 263.407 -0.014 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000574876683 335054284 /nfs/dbraw/zinc/05/42/84/335054284.db2.gz BKOSNBICPOWCKN-NSHDSACASA-N 2 1 263.407 -0.014 20 0 CBADMP CCN1CC[NH+](CCC(=O)N(C)[C@H]2CC[NH2+]C2)CC1 ZINC000179091802 285315592 /nfs/dbraw/zinc/31/55/92/285315592.db2.gz XGDXEHYRZPOXRK-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000236884275 285322203 /nfs/dbraw/zinc/32/22/03/285322203.db2.gz LMSLUGXWRHVLFJ-ZIAGYGMSSA-N 2 1 282.432 -0.014 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000575046899 335058800 /nfs/dbraw/zinc/05/88/00/335058800.db2.gz UZPAWJRIZNJECS-GHMZBOCLSA-N 2 1 298.387 -0.482 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000575046899 335058801 /nfs/dbraw/zinc/05/88/01/335058801.db2.gz UZPAWJRIZNJECS-GHMZBOCLSA-N 2 1 298.387 -0.482 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]C)C2)C1 ZINC000179001548 285355901 /nfs/dbraw/zinc/35/59/01/285355901.db2.gz QIRPRQSHMTXUPQ-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]C)C2)C1 ZINC000179001548 285355903 /nfs/dbraw/zinc/35/59/03/285355903.db2.gz QIRPRQSHMTXUPQ-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418563847 286084549 /nfs/dbraw/zinc/08/45/49/286084549.db2.gz INYWXTJQQYNPLG-NSHDSACASA-N 2 1 258.366 -0.303 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H](C[NH3+])OC)CC1 ZINC000424217999 292201203 /nfs/dbraw/zinc/20/12/03/292201203.db2.gz PUFYRBUBSDSHPT-NSHDSACASA-N 2 1 273.377 -0.471 20 0 CBADMP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@@H]1CC ZINC000168082738 286086480 /nfs/dbraw/zinc/08/64/80/286086480.db2.gz OOWQMMORFXEFDQ-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@@H]1CC ZINC000168082738 286086482 /nfs/dbraw/zinc/08/64/82/286086482.db2.gz OOWQMMORFXEFDQ-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCCS(=O)(=O)NCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430586070 292374680 /nfs/dbraw/zinc/37/46/80/292374680.db2.gz XXMFSSOMSRUXNF-GFCCVEGCSA-N 2 1 295.449 -0.095 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)C(N)=O)CC1 ZINC000247193304 287086319 /nfs/dbraw/zinc/08/63/19/287086319.db2.gz OGMONRTZDITQTC-GHMZBOCLSA-N 2 1 257.378 -0.115 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000167993826 287093134 /nfs/dbraw/zinc/09/31/34/287093134.db2.gz OAMZYISDLZVZPQ-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000167993826 287093135 /nfs/dbraw/zinc/09/31/35/287093135.db2.gz OAMZYISDLZVZPQ-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000332092140 287218375 /nfs/dbraw/zinc/21/83/75/287218375.db2.gz BSQMQVNRZAVKMZ-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP CCC[NH+]1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC000006879339 170252298 /nfs/dbraw/zinc/25/22/98/170252298.db2.gz WKEDNEIGQKBLPW-UHFFFAOYSA-N 2 1 263.407 0.000 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662752456 413990750 /nfs/dbraw/zinc/99/07/50/413990750.db2.gz QQODFQWJXTUCMP-UHFFFAOYSA-N 2 1 267.333 -0.403 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662749753 413991690 /nfs/dbraw/zinc/99/16/90/413991690.db2.gz PSQYOSNRQBGUKF-GMTAPVOTSA-N 2 1 259.325 -0.395 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662749753 413991697 /nfs/dbraw/zinc/99/16/97/413991697.db2.gz PSQYOSNRQBGUKF-GMTAPVOTSA-N 2 1 259.325 -0.395 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662747993 413993820 /nfs/dbraw/zinc/99/38/20/413993820.db2.gz IOBFIRYGACXKQL-LLVKDONJSA-N 2 1 255.362 -0.489 20 0 CBADMP CN(C(=O)C[NH3+])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899508 414061622 /nfs/dbraw/zinc/06/16/22/414061622.db2.gz DZHJQDNPHKQHPR-GFCCVEGCSA-N 2 1 254.378 -0.428 20 0 CBADMP CN(C(=O)C[NH3+])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899508 414061630 /nfs/dbraw/zinc/06/16/30/414061630.db2.gz DZHJQDNPHKQHPR-GFCCVEGCSA-N 2 1 254.378 -0.428 20 0 CBADMP Cn1c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc(=O)n(C)c1=O ZINC000044531459 175196205 /nfs/dbraw/zinc/19/62/05/175196205.db2.gz WBGOSBNIIWAJLM-JTQLQIEISA-N 2 1 266.345 -0.745 20 0 CBADMP Cn1c(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc(=O)n(C)c1=O ZINC000044531459 175196206 /nfs/dbraw/zinc/19/62/06/175196206.db2.gz WBGOSBNIIWAJLM-JTQLQIEISA-N 2 1 266.345 -0.745 20 0 CBADMP C[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)[C@H]1C[NH3+] ZINC000419097557 287325540 /nfs/dbraw/zinc/32/55/40/287325540.db2.gz GANOCSQGQDGDAH-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000354694751 227073294 /nfs/dbraw/zinc/07/32/94/227073294.db2.gz QTPKLFYMSIERBI-DGCLKSJQSA-N 2 1 296.415 -0.156 20 0 CBADMP CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000356096814 228119241 /nfs/dbraw/zinc/11/92/41/228119241.db2.gz NYSHKZRZGBSJAC-GFCCVEGCSA-N 2 1 271.409 -0.565 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)CN1CC[NH+](C)CC1 ZINC000081397091 544429337 /nfs/dbraw/zinc/42/93/37/544429337.db2.gz DHNQUTVQHJHJSM-LBPRGKRZSA-N 2 1 256.394 -0.310 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000089698324 544436735 /nfs/dbraw/zinc/43/67/35/544436735.db2.gz YZLVQTYWWXGCDS-JTQLQIEISA-N 2 1 266.349 -0.549 20 0 CBADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000092955651 544441415 /nfs/dbraw/zinc/44/14/15/544441415.db2.gz GTEJOTJXJKMDJJ-OLZOCXBDSA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)COC2(C)C[NH2+]C2)CC[N@H+]1C ZINC000098061766 544447147 /nfs/dbraw/zinc/44/71/47/544447147.db2.gz CIMVPKGJBVRQDZ-MNOVXSKESA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@H](CO)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000121247119 544450855 /nfs/dbraw/zinc/45/08/55/544450855.db2.gz RETCSFUIMPNYKQ-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](CO)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000121247119 544450859 /nfs/dbraw/zinc/45/08/59/544450859.db2.gz RETCSFUIMPNYKQ-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)CNC(=O)C[NH3+])CC[C@H]21 ZINC000227332876 544494357 /nfs/dbraw/zinc/49/43/57/544494357.db2.gz VKFILYGJCIHBHI-WDEREUQCSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CCN(C(=O)Cn2cc(CCCC[NH3+])nn2)CC1 ZINC000229636281 544500250 /nfs/dbraw/zinc/50/02/50/544500250.db2.gz LWTHUHJDFNZPFW-UHFFFAOYSA-N 2 1 280.376 -0.667 20 0 CBADMP C[C@H](NC(=O)NCC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000133913609 544461615 /nfs/dbraw/zinc/46/16/15/544461615.db2.gz BGJHLZKGQFAFOF-WDEREUQCSA-N 2 1 258.366 -0.434 20 0 CBADMP C[C@H](NC(=O)NCC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000133913609 544461620 /nfs/dbraw/zinc/46/16/20/544461620.db2.gz BGJHLZKGQFAFOF-WDEREUQCSA-N 2 1 258.366 -0.434 20 0 CBADMP O=C1CNC(=O)N1CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151334080 544466176 /nfs/dbraw/zinc/46/61/76/544466176.db2.gz CUICCZBZMPPTAX-UHFFFAOYSA-N 2 1 289.339 -0.245 20 0 CBADMP CNC(=O)CC[NH+](C)[C@H](C)CC[N@H+](C)CCC(=O)NC ZINC000178301843 544481798 /nfs/dbraw/zinc/48/17/98/544481798.db2.gz DBMGAYOLYAQFOL-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP CNC(=O)CC[NH+](C)CC[C@@H](C)[N@H+](C)CCC(=O)NC ZINC000178301843 544481800 /nfs/dbraw/zinc/48/18/00/544481800.db2.gz DBMGAYOLYAQFOL-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP CNC(=O)CC[NH+](C)CC[C@@H](C)[N@@H+](C)CCC(=O)NC ZINC000178301843 544481803 /nfs/dbraw/zinc/48/18/03/544481803.db2.gz DBMGAYOLYAQFOL-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000333575535 544545345 /nfs/dbraw/zinc/54/53/45/544545345.db2.gz SQVNQDVZFGNDQF-STQMWFEESA-N 2 1 282.388 -0.146 20 0 CBADMP O=C(NC[C@H]1C[NH2+]CCO1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000333575531 544545436 /nfs/dbraw/zinc/54/54/36/544545436.db2.gz SQVNQDVZFGNDQF-CHWSQXEVSA-N 2 1 282.388 -0.146 20 0 CBADMP CN(C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333729386 544545628 /nfs/dbraw/zinc/54/56/28/544545628.db2.gz HPXLAXPLSOJONC-IHRRRGAJSA-N 2 1 296.415 -0.023 20 0 CBADMP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CSC[NH2+]1 ZINC000238026797 544509072 /nfs/dbraw/zinc/50/90/72/544509072.db2.gz RXTLVBVYFHOAOH-JTQLQIEISA-N 2 1 258.391 -0.940 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)[NH3+])CC1=O ZINC000249082707 544512536 /nfs/dbraw/zinc/51/25/36/544512536.db2.gz HRVOQRLKMSYCHA-YNEHKIRRSA-N 2 1 296.415 -0.217 20 0 CBADMP CN(CCC[N@@H+](C)C[C@H]1CNC(=O)C1)CC[NH+](C)C ZINC000660560137 419408747 /nfs/dbraw/zinc/40/87/47/419408747.db2.gz KBKPZIGCOHFWEA-CYBMUJFWSA-N 2 1 270.421 -0.062 20 0 CBADMP O=C(CN1CC[NH2+]CC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649594 419409594 /nfs/dbraw/zinc/40/95/94/419409594.db2.gz VNWMVLSLFONSHQ-LBPRGKRZSA-N 2 1 266.389 -0.508 20 0 CBADMP O=C(CN1CC[NH2+]CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037799608 419414203 /nfs/dbraw/zinc/41/42/03/419414203.db2.gz MXVIAXNZUUUKFG-CQSZACIVSA-N 2 1 296.415 -0.785 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000040636624 419418518 /nfs/dbraw/zinc/41/85/18/419418518.db2.gz STFSNQDUTCUMTK-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107370398 419483921 /nfs/dbraw/zinc/48/39/21/419483921.db2.gz XHEPWOJSWKLJRB-STQMWFEESA-N 2 1 268.405 -0.038 20 0 CBADMP CN1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC1(C)C ZINC000110720527 419486171 /nfs/dbraw/zinc/48/61/71/419486171.db2.gz FUYJYWOWKXALGV-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP C[N@@H+]1CCN(CCC(=O)N2CC[NH2+]CC2)CC1(C)C ZINC000110720527 419486181 /nfs/dbraw/zinc/48/61/81/419486181.db2.gz FUYJYWOWKXALGV-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP C[N@H+]1CCN(CCC(=O)N2CC[NH2+]CC2)CC1(C)C ZINC000110720527 419486189 /nfs/dbraw/zinc/48/61/89/419486189.db2.gz FUYJYWOWKXALGV-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000043799425 419428767 /nfs/dbraw/zinc/42/87/67/419428767.db2.gz XKUGLBNIZIRQMP-LBPRGKRZSA-N 2 1 271.361 -0.845 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](CCO)C[C@H]1C ZINC000660761448 419436210 /nfs/dbraw/zinc/43/62/10/419436210.db2.gz YVFVMAFWXJMDIM-KGLIPLIRSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@H+](CCO)C[C@H]1C ZINC000660761448 419436216 /nfs/dbraw/zinc/43/62/16/419436216.db2.gz YVFVMAFWXJMDIM-KGLIPLIRSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@@H+](CCO)C[C@H]1C ZINC000660761448 419436224 /nfs/dbraw/zinc/43/62/24/419436224.db2.gz YVFVMAFWXJMDIM-KGLIPLIRSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068805667 419462345 /nfs/dbraw/zinc/46/23/45/419462345.db2.gz USHLHZMWACQYFN-VXGBXAGGSA-N 2 1 256.394 -0.421 20 0 CBADMP CCN(C)C[C@H](O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661138439 419469767 /nfs/dbraw/zinc/46/97/67/419469767.db2.gz BIQQGEGCAPZZAH-STQMWFEESA-N 2 1 267.377 -0.087 20 0 CBADMP CC[N@H+](C)C[C@H](O)CN1CC[C@H](Cn2ccnn2)C1 ZINC000661138439 419469774 /nfs/dbraw/zinc/46/97/74/419469774.db2.gz BIQQGEGCAPZZAH-STQMWFEESA-N 2 1 267.377 -0.087 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H](Cn2ccnn2)C1 ZINC000661138439 419469781 /nfs/dbraw/zinc/46/97/81/419469781.db2.gz BIQQGEGCAPZZAH-STQMWFEESA-N 2 1 267.377 -0.087 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661138439 419469785 /nfs/dbraw/zinc/46/97/85/419469785.db2.gz BIQQGEGCAPZZAH-STQMWFEESA-N 2 1 267.377 -0.087 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661138439 419469793 /nfs/dbraw/zinc/46/97/93/419469793.db2.gz BIQQGEGCAPZZAH-STQMWFEESA-N 2 1 267.377 -0.087 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661138439 419469801 /nfs/dbraw/zinc/46/98/01/419469801.db2.gz BIQQGEGCAPZZAH-STQMWFEESA-N 2 1 267.377 -0.087 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661138439 419469807 /nfs/dbraw/zinc/46/98/07/419469807.db2.gz BIQQGEGCAPZZAH-STQMWFEESA-N 2 1 267.377 -0.087 20 0 CBADMP COC[C@H](C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])OC ZINC000662271682 419567447 /nfs/dbraw/zinc/56/74/47/419567447.db2.gz IKQFALGCOHASSY-OLZOCXBDSA-N 2 1 287.404 -0.033 20 0 CBADMP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186701088 419522668 /nfs/dbraw/zinc/52/26/68/419522668.db2.gz QPKUUFFOVHDMBG-QWHCGFSZSA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@@]1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CCC[NH2+]1 ZINC000394379093 544578458 /nfs/dbraw/zinc/57/84/58/544578458.db2.gz BPGQNAMHLFYXQZ-OCCSQVGLSA-N 2 1 266.389 -0.365 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000386285550 544575543 /nfs/dbraw/zinc/57/55/43/544575543.db2.gz BQCXKDGSJQAPMZ-WOPDTQHZSA-N 2 1 260.378 -0.326 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000386285550 544575547 /nfs/dbraw/zinc/57/55/47/544575547.db2.gz BQCXKDGSJQAPMZ-WOPDTQHZSA-N 2 1 260.378 -0.326 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000662152394 419551436 /nfs/dbraw/zinc/55/14/36/419551436.db2.gz UAMRMOADIQIKJB-GJZGRUSLSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152394 419551444 /nfs/dbraw/zinc/55/14/44/419551444.db2.gz UAMRMOADIQIKJB-GJZGRUSLSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152394 419551454 /nfs/dbraw/zinc/55/14/54/419551454.db2.gz UAMRMOADIQIKJB-GJZGRUSLSA-N 2 1 285.432 -0.170 20 0 CBADMP COC[C@H](C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)OC ZINC000662243679 419558330 /nfs/dbraw/zinc/55/83/30/419558330.db2.gz OJDJNDDMZFCDFT-NEPJUHHUSA-N 2 1 273.377 -0.565 20 0 CBADMP CCN1CC[C@@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662244509 419558786 /nfs/dbraw/zinc/55/87/86/419558786.db2.gz RAFGYSHIIASIGT-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP CN1CCC[C@@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662245201 419559967 /nfs/dbraw/zinc/55/99/67/419559967.db2.gz RZZIMJLYIOXLTG-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP CC(C)NC(=O)C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249550 419561626 /nfs/dbraw/zinc/56/16/26/419561626.db2.gz WPROGHCPTPOCSZ-NSHDSACASA-N 2 1 255.362 -0.036 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249550 419561631 /nfs/dbraw/zinc/56/16/31/419561631.db2.gz WPROGHCPTPOCSZ-NSHDSACASA-N 2 1 255.362 -0.036 20 0 CBADMP C[N@@H+](CC(=O)NC1CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249574 419563114 /nfs/dbraw/zinc/56/31/14/419563114.db2.gz XFPAXLZOUSBUBL-LLVKDONJSA-N 2 1 253.346 -0.282 20 0 CBADMP C[N@H+](CC(=O)NC1CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249574 419563122 /nfs/dbraw/zinc/56/31/22/419563122.db2.gz XFPAXLZOUSBUBL-LLVKDONJSA-N 2 1 253.346 -0.282 20 0 CBADMP CN1CCC[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000662247226 419563235 /nfs/dbraw/zinc/56/32/35/419563235.db2.gz VUFNIQURXYBABA-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP CCS(=O)(=O)NCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000390349548 544577712 /nfs/dbraw/zinc/57/77/12/544577712.db2.gz LQIMUUDMNBNOGA-QWRGUYRKSA-N 2 1 263.407 -0.002 20 0 CBADMP CCS(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000390349548 544577714 /nfs/dbraw/zinc/57/77/14/544577714.db2.gz LQIMUUDMNBNOGA-QWRGUYRKSA-N 2 1 263.407 -0.002 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CN1CC[NH2+]CC1 ZINC000220109761 419564418 /nfs/dbraw/zinc/56/44/18/419564418.db2.gz CRQGWOHSKOOLPG-GFCCVEGCSA-N 2 1 256.394 -0.262 20 0 CBADMP COC[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662255983 419564419 /nfs/dbraw/zinc/56/44/19/419564419.db2.gz TVBCCRODVMVZGK-NWDGAFQWSA-N 2 1 256.346 -0.145 20 0 CBADMP COC[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662255983 419564426 /nfs/dbraw/zinc/56/44/26/419564426.db2.gz TVBCCRODVMVZGK-NWDGAFQWSA-N 2 1 256.346 -0.145 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)CN1CC[NH2+]CC1 ZINC000220032376 419564826 /nfs/dbraw/zinc/56/48/26/419564826.db2.gz FHGJXUWBEDFDDF-UHFFFAOYSA-N 2 1 256.394 -0.260 20 0 CBADMP C[C@@H](CNC(=O)COC1(C)C[NH2+]C1)[N@@H+](C)C1CC1 ZINC000219044011 419564853 /nfs/dbraw/zinc/56/48/53/419564853.db2.gz FUZNFTVXTGQYNJ-JTQLQIEISA-N 2 1 255.362 -0.036 20 0 CBADMP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394370598 544579038 /nfs/dbraw/zinc/57/90/38/544579038.db2.gz CLXALWMEFATYLM-NWDGAFQWSA-N 2 1 268.405 -0.134 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661595836 419504783 /nfs/dbraw/zinc/50/47/83/419504783.db2.gz FDRZWDWJXZSEMI-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661595836 419504790 /nfs/dbraw/zinc/50/47/90/419504790.db2.gz FDRZWDWJXZSEMI-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661595836 419504797 /nfs/dbraw/zinc/50/47/97/419504797.db2.gz FDRZWDWJXZSEMI-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661595836 419504807 /nfs/dbraw/zinc/50/48/07/419504807.db2.gz FDRZWDWJXZSEMI-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H]2COCCO2)CC1 ZINC000661605042 419505578 /nfs/dbraw/zinc/50/55/78/419505578.db2.gz PMLVHQPVIAFXBR-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H]2COCCO2)CC1 ZINC000661605042 419505589 /nfs/dbraw/zinc/50/55/89/419505589.db2.gz PMLVHQPVIAFXBR-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000662536906 419632881 /nfs/dbraw/zinc/63/28/81/419632881.db2.gz SZMRUYWTQRNJGX-NWDGAFQWSA-N 2 1 255.362 -0.048 20 0 CBADMP [NH3+]Cc1cc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)ccn1 ZINC000394378451 544579837 /nfs/dbraw/zinc/57/98/37/544579837.db2.gz INMOTWYWVVWTHW-CQSZACIVSA-N 2 1 289.383 -0.340 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H]1CNCCO1 ZINC000662272211 419569720 /nfs/dbraw/zinc/56/97/20/419569720.db2.gz MDEAPXBSDGFWBV-STQMWFEESA-N 2 1 284.404 -0.706 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H]1CNCCO1 ZINC000662272211 419569726 /nfs/dbraw/zinc/56/97/26/419569726.db2.gz MDEAPXBSDGFWBV-STQMWFEESA-N 2 1 284.404 -0.706 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000236844466 419571076 /nfs/dbraw/zinc/57/10/76/419571076.db2.gz FGMVGNXHJIFPLL-CYBMUJFWSA-N 2 1 270.421 -0.014 20 0 CBADMP C[N@@H+](CCN1CCOCC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662277126 419571040 /nfs/dbraw/zinc/57/10/40/419571040.db2.gz OBBBTYSSXIENJI-ZDUSSCGKSA-N 2 1 269.389 -0.229 20 0 CBADMP CCC[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000236820972 419571188 /nfs/dbraw/zinc/57/11/88/419571188.db2.gz KJZOXAWUTFKZMR-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394381693 544580375 /nfs/dbraw/zinc/58/03/75/544580375.db2.gz OCRCYRHFFDBRIT-FRRDWIJNSA-N 2 1 266.389 -0.380 20 0 CBADMP NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662277826 419571891 /nfs/dbraw/zinc/57/18/91/419571891.db2.gz UMWCFVGHIQNVMM-WDEREUQCSA-N 2 1 289.401 -0.740 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1CCCC[NH2+]1 ZINC000394383771 544580698 /nfs/dbraw/zinc/58/06/98/544580698.db2.gz FURZUBSGPUZNSJ-OLZOCXBDSA-N 2 1 266.389 -0.365 20 0 CBADMP c1cnc(N[C@@H]2CC[N@H+](C[C@@H]3CNCCO3)C2)nc1 ZINC000662282291 419575479 /nfs/dbraw/zinc/57/54/79/419575479.db2.gz FNSDJQIIQZBILV-NEPJUHHUSA-N 2 1 263.345 -0.049 20 0 CBADMP CN1CCC[C@@H]([N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000662281933 419575706 /nfs/dbraw/zinc/57/57/06/419575706.db2.gz MOVXVMRYNXSVQY-QWHCGFSZSA-N 2 1 292.387 -0.006 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237256655 419575666 /nfs/dbraw/zinc/57/56/66/419575666.db2.gz KJKKLPLXARECAO-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP CN1CCC[C@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662277523 419575899 /nfs/dbraw/zinc/57/58/99/419575899.db2.gz VODMYMPWKOBIHS-OLZOCXBDSA-N 2 1 266.389 -0.413 20 0 CBADMP CCCCNC(=O)CC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662287267 419576469 /nfs/dbraw/zinc/57/64/69/419576469.db2.gz XSCQBQLWKIRIDA-UHFFFAOYSA-N 2 1 257.378 -0.003 20 0 CBADMP CN(C)c1nc(N2CCN(C(=O)C(C)(C)[NH3+])CC2)cc[nH+]1 ZINC000237109991 419577349 /nfs/dbraw/zinc/57/73/49/419577349.db2.gz JBTFUFWCMCPUAM-UHFFFAOYSA-N 2 1 292.387 -0.072 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CC[NH3+] ZINC000237017691 419577966 /nfs/dbraw/zinc/57/79/66/419577966.db2.gz PWALROUMSREKRN-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000237191662 419579327 /nfs/dbraw/zinc/57/93/27/419579327.db2.gz LQBDDDJAWJCBPB-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237448540 419582468 /nfs/dbraw/zinc/58/24/68/419582468.db2.gz HGVWJWLSBXYKIA-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000237573459 419584181 /nfs/dbraw/zinc/58/41/81/419584181.db2.gz PUFLNCRNTCXOCU-NWDGAFQWSA-N 2 1 255.362 -0.320 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662317748 419584671 /nfs/dbraw/zinc/58/46/71/419584671.db2.gz RPCPONRKGOQLBL-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+](C)CCC[C@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC000662319116 419585008 /nfs/dbraw/zinc/58/50/08/419585008.db2.gz DPKLKDVJGSLFBY-LBPRGKRZSA-N 2 1 293.433 -0.292 20 0 CBADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC000662319116 419585015 /nfs/dbraw/zinc/58/50/15/419585015.db2.gz DPKLKDVJGSLFBY-LBPRGKRZSA-N 2 1 293.433 -0.292 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C[NH2+]C2CC2)C1 ZINC000237929279 419586475 /nfs/dbraw/zinc/58/64/75/419586475.db2.gz WZDOTUXYYGMGBG-NSHDSACASA-N 2 1 282.388 -0.558 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1CC12CC[NH2+]CC2 ZINC000394382415 544582174 /nfs/dbraw/zinc/58/21/74/544582174.db2.gz WFVXCQPNVSUYDC-ZIAGYGMSSA-N 2 1 292.427 -0.118 20 0 CBADMP CSCC[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246178275 419592230 /nfs/dbraw/zinc/59/22/30/419592230.db2.gz BUORJDQFNZBKMB-SRVKXCTJSA-N 2 1 289.445 -0.020 20 0 CBADMP CSCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246178275 419592238 /nfs/dbraw/zinc/59/22/38/419592238.db2.gz BUORJDQFNZBKMB-SRVKXCTJSA-N 2 1 289.445 -0.020 20 0 CBADMP Nc1cc[nH+]cc1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394706409 544582877 /nfs/dbraw/zinc/58/28/77/544582877.db2.gz SXPVWJAGWFMHRK-NSHDSACASA-N 2 1 275.356 -0.386 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000647492573 419592890 /nfs/dbraw/zinc/59/28/90/419592890.db2.gz KWYZYPVROFELPX-CQSZACIVSA-N 3 1 297.447 -0.979 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662386536 419593287 /nfs/dbraw/zinc/59/32/87/419593287.db2.gz BVRWBWFAELDZDX-NSHDSACASA-N 2 1 280.376 -0.159 20 0 CBADMP [NH3+][C@H](C(=O)NCCN1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000662400487 419594769 /nfs/dbraw/zinc/59/47/69/419594769.db2.gz ZDJFCEKJSGUTCJ-ZDUSSCGKSA-N 2 1 298.337 -0.014 20 0 CBADMP C[NH+](C)C[C@@H](O)CNC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647516302 419595972 /nfs/dbraw/zinc/59/59/72/419595972.db2.gz DPVJWCMTDQXVIF-HOTGVXAUSA-N 2 1 295.427 -0.009 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000250370869 419596610 /nfs/dbraw/zinc/59/66/10/419596610.db2.gz IPQWFXDSZWYVLU-CHWSQXEVSA-N 2 1 268.405 -0.119 20 0 CBADMP C[NH+](C)C[C@H](O)CNC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647516299 419598234 /nfs/dbraw/zinc/59/82/34/419598234.db2.gz DPVJWCMTDQXVIF-CVEARBPZSA-N 2 1 295.427 -0.009 20 0 CBADMP C[NH+](C)C[C@H](O)CNC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647516303 419598415 /nfs/dbraw/zinc/59/84/15/419598415.db2.gz DPVJWCMTDQXVIF-HZPDHXFCSA-N 2 1 295.427 -0.009 20 0 CBADMP C[NH+](C)C[C@@H](CO)NC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647535939 419606502 /nfs/dbraw/zinc/60/65/02/419606502.db2.gz KBSZLXLWQGDRTC-HOTGVXAUSA-N 2 1 295.427 -0.009 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000647549748 419606788 /nfs/dbraw/zinc/60/67/88/419606788.db2.gz PAIPNDCJTDOUQN-SRVKXCTJSA-N 2 1 275.418 -0.145 20 0 CBADMP CC(C)[NH2+]CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000662437397 419606819 /nfs/dbraw/zinc/60/68/19/419606819.db2.gz DISSWVRSGZJZAV-GFCCVEGCSA-N 2 1 284.404 -0.312 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662453643 419611536 /nfs/dbraw/zinc/61/15/36/419611536.db2.gz DAHQVAPMMDYEQV-LLVKDONJSA-N 2 1 280.376 -0.159 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662553374 419641168 /nfs/dbraw/zinc/64/11/68/419641168.db2.gz IYNPVYPGEMHIFT-ZETCQYMHSA-N 2 1 273.287 -0.190 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000401791254 544585611 /nfs/dbraw/zinc/58/56/11/544585611.db2.gz HDLFYFMHVKCOCM-KBPBESRZSA-N 2 1 290.404 -0.601 20 0 CBADMP COCC[N@H+](C)C[C@H](O)CN1CCC[C@](CO)(OC)C1 ZINC000401791254 544585616 /nfs/dbraw/zinc/58/56/16/544585616.db2.gz HDLFYFMHVKCOCM-KBPBESRZSA-N 2 1 290.404 -0.601 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@](CO)(OC)C1 ZINC000401791254 544585621 /nfs/dbraw/zinc/58/56/21/544585621.db2.gz HDLFYFMHVKCOCM-KBPBESRZSA-N 2 1 290.404 -0.601 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000311081374 419620174 /nfs/dbraw/zinc/62/01/74/419620174.db2.gz WTVUJEPCHIKXAI-XQQFMLRXSA-N 2 1 257.378 -0.923 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000647597726 419620864 /nfs/dbraw/zinc/62/08/64/419620864.db2.gz KBNWLWRHXLNOFD-AXFHLTTASA-N 2 1 270.377 -0.561 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000311854132 419625436 /nfs/dbraw/zinc/62/54/36/419625436.db2.gz JBCIFLGMQARQBG-CYBMUJFWSA-N 2 1 273.377 -0.693 20 0 CBADMP C[N@H+](CCCn1c2ccccc2[nH]c1=O)C[C@H](O)C[NH3+] ZINC000312633457 419625936 /nfs/dbraw/zinc/62/59/36/419625936.db2.gz CFNSDHLIQSJJQG-LLVKDONJSA-N 2 1 278.356 -0.029 20 0 CBADMP C[N@@H+](CCCn1c2ccccc2[nH]c1=O)C[C@H](O)C[NH3+] ZINC000312633457 419625943 /nfs/dbraw/zinc/62/59/43/419625943.db2.gz CFNSDHLIQSJJQG-LLVKDONJSA-N 2 1 278.356 -0.029 20 0 CBADMP O=C([C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000647824833 419660934 /nfs/dbraw/zinc/66/09/34/419660934.db2.gz YYHCZJUOFSVXLE-ZIAGYGMSSA-N 3 1 280.416 -0.260 20 0 CBADMP O=C([C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000647824833 419660940 /nfs/dbraw/zinc/66/09/40/419660940.db2.gz YYHCZJUOFSVXLE-ZIAGYGMSSA-N 2 1 280.416 -0.260 20 0 CBADMP O=C([C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000647824833 419660944 /nfs/dbraw/zinc/66/09/44/419660944.db2.gz YYHCZJUOFSVXLE-ZIAGYGMSSA-N 2 1 280.416 -0.260 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000331582731 419661591 /nfs/dbraw/zinc/66/15/91/419661591.db2.gz IFJGCTSEFJBXDZ-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647828431 419664555 /nfs/dbraw/zinc/66/45/55/419664555.db2.gz CZDSGDZPPPCJTF-RYUDHWBXSA-N 3 1 254.378 -0.617 20 0 CBADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647836721 419670815 /nfs/dbraw/zinc/67/08/15/419670815.db2.gz APQQYNNTDAJDHZ-GFCCVEGCSA-N 3 1 254.378 -0.650 20 0 CBADMP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000647836721 419670825 /nfs/dbraw/zinc/67/08/25/419670825.db2.gz APQQYNNTDAJDHZ-GFCCVEGCSA-N 2 1 254.378 -0.650 20 0 CBADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000647836721 419670829 /nfs/dbraw/zinc/67/08/29/419670829.db2.gz APQQYNNTDAJDHZ-GFCCVEGCSA-N 2 1 254.378 -0.650 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000662665557 419672575 /nfs/dbraw/zinc/67/25/75/419672575.db2.gz LTMJGDPJAMVOMZ-MCIONIFRSA-N 2 1 297.399 -0.327 20 0 CBADMP 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 419673361 /nfs/dbraw/zinc/67/33/61/419673361.db2.gz PZCMQSRJJSAYKU-POQQGIQPSA-N 2 1 296.415 -0.309 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1(O)C[NH2+]C1 ZINC000662663022 419674466 /nfs/dbraw/zinc/67/44/66/419674466.db2.gz BYQJCJJHOAXUTA-CYBMUJFWSA-N 2 1 275.352 -0.289 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662662100 419674690 /nfs/dbraw/zinc/67/46/90/419674690.db2.gz ZHTRIPDFOQEYJL-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C1(O)C[NH2+]C1 ZINC000662679134 419676528 /nfs/dbraw/zinc/67/65/28/419676528.db2.gz MAXZVAXSQPDCGU-UHFFFAOYSA-N 2 1 275.352 -0.505 20 0 CBADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C1(O)C[NH2+]C1 ZINC000662679134 419676535 /nfs/dbraw/zinc/67/65/35/419676535.db2.gz MAXZVAXSQPDCGU-UHFFFAOYSA-N 2 1 275.352 -0.505 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662669096 419678663 /nfs/dbraw/zinc/67/86/63/419678663.db2.gz VEPPMDUYRJNAIG-NSHDSACASA-N 2 1 255.362 -0.299 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662684290 419681163 /nfs/dbraw/zinc/68/11/63/419681163.db2.gz TWHZFPZZSWHKAO-AKJDGMEZSA-N 2 1 253.346 -0.343 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662684290 419681171 /nfs/dbraw/zinc/68/11/71/419681171.db2.gz TWHZFPZZSWHKAO-AKJDGMEZSA-N 2 1 253.346 -0.343 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000662681329 419681470 /nfs/dbraw/zinc/68/14/70/419681470.db2.gz FGRFGWWESDMUGL-QWRGUYRKSA-N 2 1 273.402 -0.485 20 0 CBADMP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[N@H+]1CCCC[C@H]1C ZINC000662680379 419682035 /nfs/dbraw/zinc/68/20/35/419682035.db2.gz SURSVNILMKHMGU-MNOVXSKESA-N 2 1 255.362 -0.300 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662684038 419683014 /nfs/dbraw/zinc/68/30/14/419683014.db2.gz ADENABXOZXXJEN-NSHDSACASA-N 2 1 280.376 -0.349 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC000647878394 419683574 /nfs/dbraw/zinc/68/35/74/419683574.db2.gz BRCSQBPYAAWBHZ-DDHJBXDOSA-N 2 1 255.362 -0.099 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C1(O)C[NH2+]C1 ZINC000662695947 419689501 /nfs/dbraw/zinc/68/95/01/419689501.db2.gz RAJQPQKWWCKURH-QWRGUYRKSA-N 2 1 255.362 -0.443 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C1(O)C[NH2+]C1 ZINC000662695948 419690542 /nfs/dbraw/zinc/69/05/42/419690542.db2.gz RAJQPQKWWCKURH-WDEREUQCSA-N 2 1 255.362 -0.443 20 0 CBADMP CC[C@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+](C)C ZINC000338970812 419694757 /nfs/dbraw/zinc/69/47/57/419694757.db2.gz YOGNIQOAVAEKLO-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+])C1CC1 ZINC000662710370 419694835 /nfs/dbraw/zinc/69/48/35/419694835.db2.gz HRGDJPARVVMNAK-NWDGAFQWSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCO[C@H]1C[NH3+])C1CC1 ZINC000662710371 419695355 /nfs/dbraw/zinc/69/53/55/419695355.db2.gz HRGDJPARVVMNAK-RYUDHWBXSA-N 2 1 255.362 -0.049 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662713220 419696718 /nfs/dbraw/zinc/69/67/18/419696718.db2.gz VVDTYPJZYHTWPB-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000662711850 419697865 /nfs/dbraw/zinc/69/78/65/419697865.db2.gz FEXZBKNTZVKHLN-ADEWGFFLSA-N 2 1 255.362 -0.051 20 0 CBADMP COC[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000647989904 419704238 /nfs/dbraw/zinc/70/42/38/419704238.db2.gz CHVJCGAHKFKBAG-STQMWFEESA-N 2 1 257.378 -0.373 20 0 CBADMP COC[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000647989904 419704249 /nfs/dbraw/zinc/70/42/49/419704249.db2.gz CHVJCGAHKFKBAG-STQMWFEESA-N 2 1 257.378 -0.373 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])n1C ZINC000662730132 419706145 /nfs/dbraw/zinc/70/61/45/419706145.db2.gz SDGPTACFDHABEB-MNOVXSKESA-N 2 1 281.360 -0.534 20 0 CBADMP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000662734545 419706931 /nfs/dbraw/zinc/70/69/31/419706931.db2.gz RBAQGJRMAPZERX-IHRRRGAJSA-N 2 1 296.415 -0.754 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1O ZINC000647994564 419708573 /nfs/dbraw/zinc/70/85/73/419708573.db2.gz QEYODDOSRMKHIG-XBFCOCLRSA-N 2 1 296.415 -0.213 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662754548 419711036 /nfs/dbraw/zinc/71/10/36/419711036.db2.gz QIOLKOVPQCRMIF-HAQNSBGRSA-N 2 1 254.378 -0.523 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662757339 419711902 /nfs/dbraw/zinc/71/19/02/419711902.db2.gz LKKUGBCDXNHSCF-JOCQHMNTSA-N 2 1 268.405 -0.133 20 0 CBADMP CC(C)[NH2+]CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662553868 419641930 /nfs/dbraw/zinc/64/19/30/419641930.db2.gz MRLJWHUYPGNJCZ-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP [NH3+]CC1CC[NH+](CCC(=O)N2CCNCC2)CC1 ZINC000647812227 419660435 /nfs/dbraw/zinc/66/04/35/419660435.db2.gz SHHZGARTZQSQBO-UHFFFAOYSA-N 2 1 254.378 -0.521 20 0 CBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@H](C)O1 ZINC000662793780 419727161 /nfs/dbraw/zinc/72/71/61/419727161.db2.gz ZMJLQKCZJDUWHQ-RQJABVFESA-N 2 1 299.415 -0.082 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@H](C)O1 ZINC000662793780 419727168 /nfs/dbraw/zinc/72/71/68/419727168.db2.gz ZMJLQKCZJDUWHQ-RQJABVFESA-N 2 1 299.415 -0.082 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662800933 419729309 /nfs/dbraw/zinc/72/93/09/419729309.db2.gz HEXJHKJBXYDZFB-NEPJUHHUSA-N 2 1 255.362 -0.097 20 0 CBADMP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000648110708 419735194 /nfs/dbraw/zinc/73/51/94/419735194.db2.gz GVHPAOYVRVZQRN-XQHKEYJVSA-N 2 1 292.383 -0.840 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000662939271 419786364 /nfs/dbraw/zinc/78/63/64/419786364.db2.gz NJXDQZUWPKDKOV-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[NH+](C)CC1 ZINC000648124128 419739066 /nfs/dbraw/zinc/73/90/66/419739066.db2.gz RPJPYPBFNNYERT-RDBSUJKOSA-N 2 1 280.416 -0.167 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662845223 419745633 /nfs/dbraw/zinc/74/56/33/419745633.db2.gz FUQLVKCEMXLBLC-RYUDHWBXSA-N 2 1 282.388 -0.573 20 0 CBADMP CNC(=O)C[NH+](C)CCCCC[N@H+](C)CC(=O)NC ZINC000434673177 544592503 /nfs/dbraw/zinc/59/25/03/544592503.db2.gz CCCKWBVRNPZSAB-UHFFFAOYSA-N 2 1 272.393 -0.488 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)COC3(C)C[NH2+]C3)[C@H]2C1 ZINC000648168925 419763753 /nfs/dbraw/zinc/76/37/53/419763753.db2.gz HOVKURKJIYRRJO-RYUDHWBXSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662909260 419765901 /nfs/dbraw/zinc/76/59/01/419765901.db2.gz YZPDZZPNSGDLQO-MCIONIFRSA-N 2 1 280.416 -0.119 20 0 CBADMP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662907398 419767650 /nfs/dbraw/zinc/76/76/50/419767650.db2.gz UNYXBKAVLXRRRC-KGLIPLIRSA-N 2 1 296.415 -0.739 20 0 CBADMP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662905622 419768564 /nfs/dbraw/zinc/76/85/64/419768564.db2.gz FIWSMMYNEQAPBX-STQMWFEESA-N 2 1 280.416 -0.119 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000662931433 419781651 /nfs/dbraw/zinc/78/16/51/419781651.db2.gz DGASYLZAKGCBLS-UHFFFAOYSA-N 2 1 296.415 -0.121 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662788146 419724244 /nfs/dbraw/zinc/72/42/44/419724244.db2.gz XVTYBXQDOXUWRX-QWHCGFSZSA-N 2 1 285.388 -0.469 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000649274452 419858748 /nfs/dbraw/zinc/85/87/48/419858748.db2.gz LUCWPRGHRVJWLB-XQQFMLRXSA-N 2 1 268.405 -0.040 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000351864818 419823903 /nfs/dbraw/zinc/82/39/03/419823903.db2.gz ZLBMXUYPIYJBSB-IACUBPJLSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000351864818 419823924 /nfs/dbraw/zinc/82/39/24/419823924.db2.gz ZLBMXUYPIYJBSB-IACUBPJLSA-N 2 1 296.415 -0.217 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649068383 419832521 /nfs/dbraw/zinc/83/25/21/419832521.db2.gz FLQAMKLQYFMAJC-NSHDSACASA-N 2 1 293.371 -0.230 20 0 CBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000649070057 419833801 /nfs/dbraw/zinc/83/38/01/419833801.db2.gz GPUJFHJMYRWWRE-VXGBXAGGSA-N 2 1 282.388 -0.484 20 0 CBADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[NH+](C)C ZINC000649075667 419834597 /nfs/dbraw/zinc/83/45/97/419834597.db2.gz IQPIHCISQIKDCA-JTQLQIEISA-N 2 1 256.350 -0.874 20 0 CBADMP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353760698 419841416 /nfs/dbraw/zinc/84/14/16/419841416.db2.gz RPZOEQLOVBCKHC-WDEREUQCSA-N 2 1 270.377 -0.574 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353760698 419841424 /nfs/dbraw/zinc/84/14/24/419841424.db2.gz RPZOEQLOVBCKHC-WDEREUQCSA-N 2 1 270.377 -0.574 20 0 CBADMP N[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC[C@H]1F ZINC000663505496 419842258 /nfs/dbraw/zinc/84/22/58/419842258.db2.gz JGMGEHKHSROWIU-QJPTWQEYSA-N 2 1 272.368 -0.445 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@@H](CN2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000663505496 419842265 /nfs/dbraw/zinc/84/22/65/419842265.db2.gz JGMGEHKHSROWIU-QJPTWQEYSA-N 2 1 272.368 -0.445 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663495643 419843209 /nfs/dbraw/zinc/84/32/09/419843209.db2.gz PAGFPBJZPPPAOP-BZPMIXESSA-N 3 1 266.389 -0.617 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663495643 419843214 /nfs/dbraw/zinc/84/32/14/419843214.db2.gz PAGFPBJZPPPAOP-BZPMIXESSA-N 2 1 266.389 -0.617 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)COCC[NH3+] ZINC000649301172 419871447 /nfs/dbraw/zinc/87/14/47/419871447.db2.gz JTEZPAUCWJIKNR-SNVBAGLBSA-N 2 1 254.334 -0.081 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C[NH+]1CCOCC1 ZINC000649312325 419873537 /nfs/dbraw/zinc/87/35/37/419873537.db2.gz HPQPDSIVWRXOJE-LPWJVIDDSA-N 2 1 267.373 -0.179 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000649310487 419874562 /nfs/dbraw/zinc/87/45/62/419874562.db2.gz MYHNGVYWHVEWKB-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP CCN(C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H]1CC[N@@H+](C)C1 ZINC000664082233 419878834 /nfs/dbraw/zinc/87/88/34/419878834.db2.gz AFOBDJWCPVODPX-UONOGXRCSA-N 2 1 297.447 -0.032 20 0 CBADMP CCN(C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@H]1CC[NH+](C)C1 ZINC000664082233 419878840 /nfs/dbraw/zinc/87/88/40/419878840.db2.gz AFOBDJWCPVODPX-UONOGXRCSA-N 2 1 297.447 -0.032 20 0 CBADMP CCN(C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CC[NH+](C)C1 ZINC000664082233 419878848 /nfs/dbraw/zinc/87/88/48/419878848.db2.gz AFOBDJWCPVODPX-UONOGXRCSA-N 2 1 297.447 -0.032 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649318862 419880462 /nfs/dbraw/zinc/88/04/62/419880462.db2.gz QHJXBQXMVOJEQB-XQHKEYJVSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@@H](CCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000664082229 419880627 /nfs/dbraw/zinc/88/06/27/419880627.db2.gz ACOLMKMNFUVCQO-QWHCGFSZSA-N 2 1 285.436 -0.128 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)NCC[N@@H+](C)C2CC2)C[C@@H]1O ZINC000664093176 419881420 /nfs/dbraw/zinc/88/14/20/419881420.db2.gz DUHIQRJQJSGHNA-RYUDHWBXSA-N 2 1 270.377 -0.603 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3C[C@H](O)C3)C2)CC1 ZINC000664128813 419881814 /nfs/dbraw/zinc/88/18/14/419881814.db2.gz BFSCKFJKJQIRPF-OBJOEFQTSA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3C[C@H](O)C3)C2)CC1 ZINC000664128813 419881818 /nfs/dbraw/zinc/88/18/18/419881818.db2.gz BFSCKFJKJQIRPF-OBJOEFQTSA-N 2 1 296.415 -0.023 20 0 CBADMP O=C([C@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649321131 419881810 /nfs/dbraw/zinc/88/18/10/419881810.db2.gz MMLYOPMBGFGOBR-UPJWGTAASA-N 2 1 267.373 -0.204 20 0 CBADMP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649321213 419885040 /nfs/dbraw/zinc/88/50/40/419885040.db2.gz OSIUHMYBAYSDTO-RGDJUOJXSA-N 2 1 279.384 -0.206 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000664219555 419888415 /nfs/dbraw/zinc/88/84/15/419888415.db2.gz RPXWAOMUQYKLFE-VOAKCMCISA-N 2 1 284.404 -0.215 20 0 CBADMP C[NH+](C)CCC[N@H+](C)CCNc1cncc(C(N)=O)n1 ZINC000664248454 419891867 /nfs/dbraw/zinc/89/18/67/419891867.db2.gz XLPRGMXUYRHTAQ-UHFFFAOYSA-N 2 1 280.376 -0.129 20 0 CBADMP C[NH+](C)CCC[N@@H+](C)CCNc1cncc(C(N)=O)n1 ZINC000664248454 419891873 /nfs/dbraw/zinc/89/18/73/419891873.db2.gz XLPRGMXUYRHTAQ-UHFFFAOYSA-N 2 1 280.376 -0.129 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+](C)C ZINC000358063691 419895271 /nfs/dbraw/zinc/89/52/71/419895271.db2.gz ZMBUYSDCAWUQTL-AAEUAGOBSA-N 2 1 257.378 -0.245 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+](C)C ZINC000358063697 419895440 /nfs/dbraw/zinc/89/54/40/419895440.db2.gz ZMBUYSDCAWUQTL-WCQYABFASA-N 2 1 257.378 -0.245 20 0 CBADMP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000666920413 544650449 /nfs/dbraw/zinc/65/04/49/544650449.db2.gz VQACTSSCYPQTAR-TZMCWYRMSA-N 2 1 296.415 -0.069 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000666920413 544650454 /nfs/dbraw/zinc/65/04/54/544650454.db2.gz VQACTSSCYPQTAR-TZMCWYRMSA-N 2 1 296.415 -0.069 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000666920413 544650460 /nfs/dbraw/zinc/65/04/60/544650460.db2.gz VQACTSSCYPQTAR-TZMCWYRMSA-N 2 1 296.415 -0.069 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000666920413 544650465 /nfs/dbraw/zinc/65/04/65/544650465.db2.gz VQACTSSCYPQTAR-TZMCWYRMSA-N 2 1 296.415 -0.069 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000666923990 544650683 /nfs/dbraw/zinc/65/06/83/544650683.db2.gz WJUDCGLLQYRVDM-JSGCOSHPSA-N 2 1 284.404 -0.164 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000666923990 544650685 /nfs/dbraw/zinc/65/06/85/544650685.db2.gz WJUDCGLLQYRVDM-JSGCOSHPSA-N 2 1 284.404 -0.164 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000666923990 544650689 /nfs/dbraw/zinc/65/06/89/544650689.db2.gz WJUDCGLLQYRVDM-JSGCOSHPSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1nccn1C ZINC000667246160 544657879 /nfs/dbraw/zinc/65/78/79/544657879.db2.gz APSZXKPZNBCINQ-SDDRHHMPSA-N 2 1 293.371 -0.059 20 0 CBADMP C[N@@H+](Cc1cnc2n1CCC2)C[C@@H](O)CN1CCOCC1 ZINC000667659614 544668655 /nfs/dbraw/zinc/66/86/55/544668655.db2.gz MWHBLRSPMXUUTO-CQSZACIVSA-N 2 1 294.399 -0.046 20 0 CBADMP C[NH+](C)C1(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000667940473 544678375 /nfs/dbraw/zinc/67/83/75/544678375.db2.gz DRUHVZCLPYBFPL-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+](C)C ZINC000649356134 419904349 /nfs/dbraw/zinc/90/43/49/419904349.db2.gz KXGISKPFQGOHTK-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP C(C[N@H+]1CC[C@H](CN2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000649413784 419908859 /nfs/dbraw/zinc/90/88/59/419908859.db2.gz DKEIFJFRVILNSA-HNNXBMFYSA-N 2 1 282.432 -0.454 20 0 CBADMP [NH3+]CCOCC[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC000649411133 419909763 /nfs/dbraw/zinc/90/97/63/419909763.db2.gz VQAGZNLOGXENHU-CYBMUJFWSA-N 2 1 257.378 -0.242 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCc1cccnc1 ZINC000649409785 419910427 /nfs/dbraw/zinc/91/04/27/419910427.db2.gz ZACAFVMXKDSSEB-UHFFFAOYSA-N 2 1 291.399 -0.465 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCc1cccnc1 ZINC000649409785 419910429 /nfs/dbraw/zinc/91/04/29/419910429.db2.gz ZACAFVMXKDSSEB-UHFFFAOYSA-N 2 1 291.399 -0.465 20 0 CBADMP CC(C)[C@H](CNC(=O)NC[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000669021329 544734481 /nfs/dbraw/zinc/73/44/81/544734481.db2.gz QNTFEJYWNUKLAB-RYUDHWBXSA-N 2 1 272.393 -0.010 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C[C@@H](C)[NH+]1C ZINC000358713757 419914308 /nfs/dbraw/zinc/91/43/08/419914308.db2.gz SDAWPGJKSPKJEC-MCIONIFRSA-N 2 1 280.416 -0.073 20 0 CBADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664726658 419914805 /nfs/dbraw/zinc/91/48/05/419914805.db2.gz UPRHJKGFNDBTLI-ZDUSSCGKSA-N 2 1 291.351 -0.104 20 0 CBADMP CCN(C(=O)C(=O)NCC[NH+](C)C1CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668656853 544712891 /nfs/dbraw/zinc/71/28/91/544712891.db2.gz FANXEELAXFWVID-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NCC[N@H+](C)C1CC1)[C@H]1CC[NH+](C)C1 ZINC000668656853 544712894 /nfs/dbraw/zinc/71/28/94/544712894.db2.gz FANXEELAXFWVID-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NCC[N@@H+](C)C1CC1)[C@H]1CC[NH+](C)C1 ZINC000668656853 544712900 /nfs/dbraw/zinc/71/29/00/544712900.db2.gz FANXEELAXFWVID-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(CN1CCOC[C@@H](O)C1)C[N@H+]1CCOC[C@@H](O)C1 ZINC000664774347 419915679 /nfs/dbraw/zinc/91/56/79/419915679.db2.gz MYGMWHZFHZTZFP-KBPBESRZSA-N 2 1 288.388 -0.991 20 0 CBADMP CO[C@@H]1CN(CC[C@@H](C)[N@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664778554 419915861 /nfs/dbraw/zinc/91/58/61/419915861.db2.gz RKSABLZALPJSDY-DHGKCCLASA-N 2 1 288.388 -0.852 20 0 CBADMP O=C(NCCC[NH+]1CCCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000649498563 419915864 /nfs/dbraw/zinc/91/58/64/419915864.db2.gz PESFGAHVOOLHBE-CQSZACIVSA-N 2 1 296.415 -0.067 20 0 CBADMP O=C(NCCC[NH+]1CCCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000649498563 419915868 /nfs/dbraw/zinc/91/58/68/419915868.db2.gz PESFGAHVOOLHBE-CQSZACIVSA-N 2 1 296.415 -0.067 20 0 CBADMP CO[C@@H]1CN([C@H](C)CC[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664778554 419915866 /nfs/dbraw/zinc/91/58/66/419915866.db2.gz RKSABLZALPJSDY-DHGKCCLASA-N 2 1 288.388 -0.852 20 0 CBADMP CO[C@@H]1CN([C@H](C)CC[N@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664778554 419915869 /nfs/dbraw/zinc/91/58/69/419915869.db2.gz RKSABLZALPJSDY-DHGKCCLASA-N 2 1 288.388 -0.852 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000669402970 544748249 /nfs/dbraw/zinc/74/82/49/544748249.db2.gz CIXINTDQOLKEJE-KBPBESRZSA-N 2 1 295.431 -0.230 20 0 CBADMP CN1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)[C@H](C[NH3+])C1 ZINC000669403089 544749805 /nfs/dbraw/zinc/74/98/05/544749805.db2.gz ISZQIRQDZQPWEF-NWDGAFQWSA-N 2 1 269.393 -0.635 20 0 CBADMP O=C(NC[C@H]1C[NH2+]CCO1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491144 544750172 /nfs/dbraw/zinc/75/01/72/544750172.db2.gz NDNIAAZACBUSEU-QWHCGFSZSA-N 2 1 282.388 -0.242 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[NH3+] ZINC000669473248 544750244 /nfs/dbraw/zinc/75/02/44/544750244.db2.gz ZHEZNXVQDQJWFG-GHMZBOCLSA-N 2 1 258.366 -0.256 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH3+] ZINC000669473251 544750336 /nfs/dbraw/zinc/75/03/36/544750336.db2.gz ZHEZNXVQDQJWFG-WDEREUQCSA-N 2 1 258.366 -0.256 20 0 CBADMP C[C@@H](C(=O)NCCC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000358805460 419921781 /nfs/dbraw/zinc/92/17/81/419921781.db2.gz XBQRBVXOQVWVBH-LBPRGKRZSA-N 2 1 256.394 -0.310 20 0 CBADMP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000669513961 544752638 /nfs/dbraw/zinc/75/26/38/544752638.db2.gz HZABPPLJOHZABW-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP Cc1nccn1CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000671962649 544835681 /nfs/dbraw/zinc/83/56/81/544835681.db2.gz CFMZILKLCZWGTQ-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCNC(=O)CC2)CC1=O ZINC000649684903 419925093 /nfs/dbraw/zinc/92/50/93/419925093.db2.gz HGQZSHHJTUGWCC-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCNC(=O)CC2)CC1=O ZINC000649684903 419925100 /nfs/dbraw/zinc/92/51/00/419925100.db2.gz HGQZSHHJTUGWCC-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP C[C@@H](CO)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665637675 419959685 /nfs/dbraw/zinc/95/96/85/419959685.db2.gz KWDRCBITBAYFAU-RYUDHWBXSA-N 2 1 274.409 -0.062 20 0 CBADMP C[C@@H](CO)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665637675 419959688 /nfs/dbraw/zinc/95/96/88/419959688.db2.gz KWDRCBITBAYFAU-RYUDHWBXSA-N 2 1 274.409 -0.062 20 0 CBADMP CC[N@@H+](CCNC(=O)N1CC(N2CC[C@@H](O)C2)C1)C1CC1 ZINC000650818732 419968696 /nfs/dbraw/zinc/96/86/96/419968696.db2.gz WBSGESRNKBARJC-CQSZACIVSA-N 2 1 296.415 -0.069 20 0 CBADMP CC[N@H+](CCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)C1CC1 ZINC000650818732 419968700 /nfs/dbraw/zinc/96/87/00/419968700.db2.gz WBSGESRNKBARJC-CQSZACIVSA-N 2 1 296.415 -0.069 20 0 CBADMP CC[N@@H+](CCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)C1CC1 ZINC000650818732 419968702 /nfs/dbraw/zinc/96/87/02/419968702.db2.gz WBSGESRNKBARJC-CQSZACIVSA-N 2 1 296.415 -0.069 20 0 CBADMP CC[NH+](CCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)C1CC1 ZINC000650818732 419968704 /nfs/dbraw/zinc/96/87/04/419968704.db2.gz WBSGESRNKBARJC-CQSZACIVSA-N 2 1 296.415 -0.069 20 0 CBADMP CC[NH+](CCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)C1CC1 ZINC000650818732 419968706 /nfs/dbraw/zinc/96/87/06/419968706.db2.gz WBSGESRNKBARJC-CQSZACIVSA-N 2 1 296.415 -0.069 20 0 CBADMP C[N@@H+](CCNC(=O)N1CC(N2CC[C@@H](O)C2)C1)C1CC1 ZINC000650868797 419970489 /nfs/dbraw/zinc/97/04/89/419970489.db2.gz SWEVAWXEWSNXSE-CYBMUJFWSA-N 2 1 282.388 -0.459 20 0 CBADMP C[N@H+](CCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)C1CC1 ZINC000650868797 419970493 /nfs/dbraw/zinc/97/04/93/419970493.db2.gz SWEVAWXEWSNXSE-CYBMUJFWSA-N 2 1 282.388 -0.459 20 0 CBADMP C[N@@H+](CCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)C1CC1 ZINC000650868797 419970498 /nfs/dbraw/zinc/97/04/98/419970498.db2.gz SWEVAWXEWSNXSE-CYBMUJFWSA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+](CCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)C1CC1 ZINC000650868797 419970507 /nfs/dbraw/zinc/97/05/07/419970507.db2.gz SWEVAWXEWSNXSE-CYBMUJFWSA-N 2 1 282.388 -0.459 20 0 CBADMP C[C@H]1C[C@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@@H+]1C ZINC000650919325 419973766 /nfs/dbraw/zinc/97/37/66/419973766.db2.gz XYQPICBKSZDAJH-OUCADQQQSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@H]1C[C@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@H+]1C ZINC000650919325 419973772 /nfs/dbraw/zinc/97/37/72/419973772.db2.gz XYQPICBKSZDAJH-OUCADQQQSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@H]1C[C@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000650919325 419973777 /nfs/dbraw/zinc/97/37/77/419973777.db2.gz XYQPICBKSZDAJH-OUCADQQQSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@H]1C[C@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000650919325 419973781 /nfs/dbraw/zinc/97/37/81/419973781.db2.gz XYQPICBKSZDAJH-OUCADQQQSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H]1C[NH+](CC2(C[N@H+]3C[C@H](O)[C@@H](C)C3)COC2)C[C@H]1O ZINC000360210318 420010414 /nfs/dbraw/zinc/01/04/14/420010414.db2.gz WSHGYONKMBWIMO-KPWCQOOUSA-N 2 1 284.400 -0.372 20 0 CBADMP C[C@@H]1C[N@@H+](CC2(C[NH+]3C[C@H](O)[C@@H](C)C3)COC2)C[C@H]1O ZINC000360210318 420010417 /nfs/dbraw/zinc/01/04/17/420010417.db2.gz WSHGYONKMBWIMO-KPWCQOOUSA-N 2 1 284.400 -0.372 20 0 CBADMP C[C@@H]1C[N@H+](CC2(C[NH+]3C[C@H](O)[C@@H](C)C3)COC2)C[C@H]1O ZINC000360210318 420010421 /nfs/dbraw/zinc/01/04/21/420010421.db2.gz WSHGYONKMBWIMO-KPWCQOOUSA-N 2 1 284.400 -0.372 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364142248 420030035 /nfs/dbraw/zinc/03/00/35/420030035.db2.gz KFNNCEDZDGCCCV-OCCSQVGLSA-N 2 1 267.373 -0.176 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000364188036 420031524 /nfs/dbraw/zinc/03/15/24/420031524.db2.gz JAXDQDRAMUSWSZ-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000364188036 420031527 /nfs/dbraw/zinc/03/15/27/420031527.db2.gz JAXDQDRAMUSWSZ-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000364213905 420032142 /nfs/dbraw/zinc/03/21/42/420032142.db2.gz JNGOSWBUICJCFQ-UMSGYPCISA-N 2 1 269.389 -0.054 20 0 CBADMP CC[C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000364880380 420048021 /nfs/dbraw/zinc/04/80/21/420048021.db2.gz LEDJUPLHLVVWOJ-DGCLKSJQSA-N 2 1 267.373 -0.225 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652145454 420048671 /nfs/dbraw/zinc/04/86/71/420048671.db2.gz ODXFIJYTNDJWFJ-UHFFFAOYSA-N 2 1 272.393 -0.007 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652235174 420054094 /nfs/dbraw/zinc/05/40/94/420054094.db2.gz ZLDCHYIAJAKNQD-LBPRGKRZSA-N 2 1 284.404 -0.177 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000652336923 420057318 /nfs/dbraw/zinc/05/73/18/420057318.db2.gz OWCJWSHWYNZXRR-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP CCO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C[NH3+] ZINC000652357511 420059143 /nfs/dbraw/zinc/05/91/43/420059143.db2.gz UTWWKUYAWCEDRQ-VXGBXAGGSA-N 2 1 255.362 -0.096 20 0 CBADMP CCO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C[NH3+] ZINC000652357511 420059145 /nfs/dbraw/zinc/05/91/45/420059145.db2.gz UTWWKUYAWCEDRQ-VXGBXAGGSA-N 2 1 255.362 -0.096 20 0 CBADMP CCO[C@@H]1C[N@@H+](CCC(=O)N2CCOCC2)C[C@H]1C[NH3+] ZINC000652357386 420059555 /nfs/dbraw/zinc/05/95/55/420059555.db2.gz MSKURHNGGCPUTC-CHWSQXEVSA-N 2 1 285.388 -0.469 20 0 CBADMP CCO[C@@H]1C[N@H+](CCCS(=O)(=O)NC)C[C@H]1C[NH3+] ZINC000652356747 420059789 /nfs/dbraw/zinc/05/97/89/420059789.db2.gz FAGGPVAQVHUFCO-GHMZBOCLSA-N 2 1 279.406 -0.779 20 0 CBADMP CCO[C@@H]1C[N@@H+](CCCS(=O)(=O)NC)C[C@H]1C[NH3+] ZINC000652356747 420059793 /nfs/dbraw/zinc/05/97/93/420059793.db2.gz FAGGPVAQVHUFCO-GHMZBOCLSA-N 2 1 279.406 -0.779 20 0 CBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000365331960 420061612 /nfs/dbraw/zinc/06/16/12/420061612.db2.gz QMWHDPZHPWWJMK-ZDEQEGDKSA-N 2 1 299.415 -0.287 20 0 CBADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)NC(N)=O)CC1 ZINC000365400745 420062003 /nfs/dbraw/zinc/06/20/03/420062003.db2.gz AOMSNFBXCBEHHD-SNVBAGLBSA-N 2 1 256.350 -0.013 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000365602583 420064374 /nfs/dbraw/zinc/06/43/74/420064374.db2.gz OJFKTDSCWHXOKS-MCIONIFRSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000365602583 420064380 /nfs/dbraw/zinc/06/43/80/420064380.db2.gz OJFKTDSCWHXOKS-MCIONIFRSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000365602583 420064384 /nfs/dbraw/zinc/06/43/84/420064384.db2.gz OJFKTDSCWHXOKS-MCIONIFRSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000365602583 420064390 /nfs/dbraw/zinc/06/43/90/420064390.db2.gz OJFKTDSCWHXOKS-MCIONIFRSA-N 2 1 297.399 -0.314 20 0 CBADMP CC(C)[C@@H](C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000652889146 420095979 /nfs/dbraw/zinc/09/59/79/420095979.db2.gz IZAAAJHEMOBPON-OLZOCXBDSA-N 2 1 269.389 -0.150 20 0 CBADMP CC(C)[C@@H](C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000652889146 420095983 /nfs/dbraw/zinc/09/59/83/420095983.db2.gz IZAAAJHEMOBPON-OLZOCXBDSA-N 2 1 269.389 -0.150 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)CC(F)(F)C[NH3+])CCO1 ZINC000653055596 420111157 /nfs/dbraw/zinc/11/11/57/420111157.db2.gz HUYDXUBUHVOYNU-JGVFFNPUSA-N 2 1 251.277 -0.455 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)CC(F)(F)C[NH3+])CCO1 ZINC000653055597 420112173 /nfs/dbraw/zinc/11/21/73/420112173.db2.gz HUYDXUBUHVOYNU-SFYZADRCSA-N 2 1 251.277 -0.455 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653110406 420115868 /nfs/dbraw/zinc/11/58/68/420115868.db2.gz HVHSCWDJLLEJJZ-DYEKYZERSA-N 2 1 267.373 -0.320 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000653112613 420115991 /nfs/dbraw/zinc/11/59/91/420115991.db2.gz DEDAAPZDFMJJSX-JQWIXIFHSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653123671 420118666 /nfs/dbraw/zinc/11/86/66/420118666.db2.gz DASQMPGYHLQMAI-UHXUCMFUSA-N 2 1 279.384 -0.179 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000653121981 420119459 /nfs/dbraw/zinc/11/94/59/420119459.db2.gz HYTOAUBXCLZZLJ-NEPJUHHUSA-N 2 1 256.394 -0.277 20 0 CBADMP C[NH+](C)CCn1ccc(=NC(=O)[C@]23C[NH2+]C[C@H]2COC3)[nH]1 ZINC000653114218 420120138 /nfs/dbraw/zinc/12/01/38/420120138.db2.gz ALFSNELFGPXMRA-FZMZJTMJSA-N 2 1 293.371 -0.959 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000653144421 420123000 /nfs/dbraw/zinc/12/30/00/420123000.db2.gz SKZLYXHRWOYISC-CMPLNLGQSA-N 2 1 260.357 -0.575 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653147785 420123163 /nfs/dbraw/zinc/12/31/63/420123163.db2.gz AAMKAGRGMULHFU-ZDUSSCGKSA-N 2 1 286.420 -0.554 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000653176030 420126619 /nfs/dbraw/zinc/12/66/19/420126619.db2.gz ILCWEGORRSPORK-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000368372929 420131357 /nfs/dbraw/zinc/13/13/57/420131357.db2.gz DBMDQOOSNPSRND-NWDGAFQWSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000368372929 420131364 /nfs/dbraw/zinc/13/13/64/420131364.db2.gz DBMDQOOSNPSRND-NWDGAFQWSA-N 2 1 267.373 -0.035 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCC[NH3+] ZINC000652694168 420072856 /nfs/dbraw/zinc/07/28/56/420072856.db2.gz QIUWDDNCLMDVCB-UHFFFAOYSA-N 2 1 258.366 -0.845 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000652698803 420074199 /nfs/dbraw/zinc/07/41/99/420074199.db2.gz KQBJEQMUDSPHQQ-LBPRGKRZSA-N 2 1 286.420 -0.066 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000652706294 420075748 /nfs/dbraw/zinc/07/57/48/420075748.db2.gz ZQGWNQURGGEXPZ-LBPRGKRZSA-N 2 1 286.420 -0.114 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652713845 420076715 /nfs/dbraw/zinc/07/67/15/420076715.db2.gz YHBZYXRZHULIHG-LBPRGKRZSA-N 2 1 296.415 -0.168 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1=O ZINC000652735104 420079234 /nfs/dbraw/zinc/07/92/34/420079234.db2.gz BUJKIDBXUGGEMY-LBPRGKRZSA-N 2 1 282.388 -0.687 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000653348388 420141404 /nfs/dbraw/zinc/14/14/04/420141404.db2.gz FVEQGNHQDIQYBE-GFCCVEGCSA-N 2 1 254.378 -0.357 20 0 CBADMP CN1CCN(C(=O)CN2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366483448 420087806 /nfs/dbraw/zinc/08/78/06/420087806.db2.gz POHREBYLERKUDR-OAHLLOKOSA-N 3 1 280.416 -0.212 20 0 CBADMP C[N@@H+]1CC[C@@]2(CCN(CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC000366483448 420087808 /nfs/dbraw/zinc/08/78/08/420087808.db2.gz POHREBYLERKUDR-OAHLLOKOSA-N 2 1 280.416 -0.212 20 0 CBADMP C[N@H+]1CC[C@@]2(CCN(CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC000366483448 420087810 /nfs/dbraw/zinc/08/78/10/420087810.db2.gz POHREBYLERKUDR-OAHLLOKOSA-N 2 1 280.416 -0.212 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000653348389 420141656 /nfs/dbraw/zinc/14/16/56/420141656.db2.gz FVEQGNHQDIQYBE-LBPRGKRZSA-N 2 1 254.378 -0.357 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000366557838 420089822 /nfs/dbraw/zinc/08/98/22/420089822.db2.gz UCWALEOMGIXXDH-STQMWFEESA-N 2 1 286.395 -0.170 20 0 CBADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)C[NH2+]C)CC2)C1 ZINC000370778634 420188372 /nfs/dbraw/zinc/18/83/72/420188372.db2.gz HVUKBXUWYOIGAQ-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP CC[N@H+]1CCO[C@H](CN2CCN(C(=O)C[NH2+]C)CC2)C1 ZINC000370778634 420188373 /nfs/dbraw/zinc/18/83/73/420188373.db2.gz HVUKBXUWYOIGAQ-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP C[C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[C@H](C)[NH3+] ZINC000377305102 420195441 /nfs/dbraw/zinc/19/54/41/420195441.db2.gz CFTMTAYIBPDACR-WOPDTQHZSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)Cn1cc(CCCC[NH3+])nn1 ZINC000385279614 420199926 /nfs/dbraw/zinc/19/99/26/420199926.db2.gz KCEIRRFLHODRAP-GFCCVEGCSA-N 2 1 255.366 -0.128 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C(C)C)CC1 ZINC000382461215 420200427 /nfs/dbraw/zinc/20/04/27/420200427.db2.gz XZAGQSNQEOHENA-CQSZACIVSA-N 2 1 273.421 -0.049 20 0 CBADMP C[C@@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000388499576 420205469 /nfs/dbraw/zinc/20/54/69/420205469.db2.gz GZCROELXQVFQJI-CMPLNLGQSA-N 2 1 291.417 -0.623 20 0 CBADMP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000672982551 544865300 /nfs/dbraw/zinc/86/53/00/544865300.db2.gz YUBXMTIRTIQTCZ-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000653625953 420152030 /nfs/dbraw/zinc/15/20/30/420152030.db2.gz YHPPYNMTWSPDPE-WOPDTQHZSA-N 2 1 257.378 -0.115 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@]12CCNC2=O ZINC000653717279 420157674 /nfs/dbraw/zinc/15/76/74/420157674.db2.gz ODASTADPBMJSMR-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000653694687 420157985 /nfs/dbraw/zinc/15/79/85/420157985.db2.gz NNWWWLNOGWDWPZ-MELADBBJSA-N 2 1 271.405 -0.439 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000653694687 420157991 /nfs/dbraw/zinc/15/79/91/420157991.db2.gz NNWWWLNOGWDWPZ-MELADBBJSA-N 2 1 271.405 -0.439 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000653694687 420157994 /nfs/dbraw/zinc/15/79/94/420157994.db2.gz NNWWWLNOGWDWPZ-MELADBBJSA-N 2 1 271.405 -0.439 20 0 CBADMP Cn1c[nH+]cc1CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829776 420168216 /nfs/dbraw/zinc/16/82/16/420168216.db2.gz WTHHMAYPGIPGSU-QWHCGFSZSA-N 2 1 250.346 -0.287 20 0 CBADMP Cn1c[nH+]cc1CCN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829776 420168219 /nfs/dbraw/zinc/16/82/19/420168219.db2.gz WTHHMAYPGIPGSU-QWHCGFSZSA-N 2 1 250.346 -0.287 20 0 CBADMP COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000370205070 420173024 /nfs/dbraw/zinc/17/30/24/420173024.db2.gz WXNRXCCHTGEPLX-NWDGAFQWSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000370205070 420173026 /nfs/dbraw/zinc/17/30/26/420173026.db2.gz WXNRXCCHTGEPLX-NWDGAFQWSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000370205070 420173028 /nfs/dbraw/zinc/17/30/28/420173028.db2.gz WXNRXCCHTGEPLX-NWDGAFQWSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000370205070 420173030 /nfs/dbraw/zinc/17/30/30/420173030.db2.gz WXNRXCCHTGEPLX-NWDGAFQWSA-N 2 1 283.372 -0.308 20 0 CBADMP C[N@@H+](CCNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000654440404 420178409 /nfs/dbraw/zinc/17/84/09/420178409.db2.gz IQPYWSSASYDRCL-QWHCGFSZSA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+](CCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000654440404 420178416 /nfs/dbraw/zinc/17/84/16/420178416.db2.gz IQPYWSSASYDRCL-QWHCGFSZSA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+](CCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000654440404 420178419 /nfs/dbraw/zinc/17/84/19/420178419.db2.gz IQPYWSSASYDRCL-QWHCGFSZSA-N 2 1 282.388 -0.459 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000654460822 420181548 /nfs/dbraw/zinc/18/15/48/420181548.db2.gz AZHQMRXVKMASBD-XDQVBPFNSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000654460822 420181551 /nfs/dbraw/zinc/18/15/51/420181551.db2.gz AZHQMRXVKMASBD-XDQVBPFNSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000654460822 420181554 /nfs/dbraw/zinc/18/15/54/420181554.db2.gz AZHQMRXVKMASBD-XDQVBPFNSA-N 2 1 296.415 -0.071 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397385722 420216315 /nfs/dbraw/zinc/21/63/15/420216315.db2.gz LUNOJBNVAVBCMM-UTLUCORTSA-N 2 1 256.350 -0.253 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397385722 420216318 /nfs/dbraw/zinc/21/63/18/420216318.db2.gz LUNOJBNVAVBCMM-UTLUCORTSA-N 2 1 256.350 -0.253 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000655131502 420223543 /nfs/dbraw/zinc/22/35/43/420223543.db2.gz DPHBXHQKDUPUGH-CHWSQXEVSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000655131502 420223545 /nfs/dbraw/zinc/22/35/45/420223545.db2.gz DPHBXHQKDUPUGH-CHWSQXEVSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000655131502 420223549 /nfs/dbraw/zinc/22/35/49/420223549.db2.gz DPHBXHQKDUPUGH-CHWSQXEVSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000655131502 420223554 /nfs/dbraw/zinc/22/35/54/420223554.db2.gz DPHBXHQKDUPUGH-CHWSQXEVSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)[C@@H]1CC[NH3+] ZINC000404288418 420223796 /nfs/dbraw/zinc/22/37/96/420223796.db2.gz JGHCQQHNETZERJ-WDEREUQCSA-N 2 1 268.361 -0.013 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000655131505 420224151 /nfs/dbraw/zinc/22/41/51/420224151.db2.gz DPHBXHQKDUPUGH-OLZOCXBDSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000655131505 420224157 /nfs/dbraw/zinc/22/41/57/420224157.db2.gz DPHBXHQKDUPUGH-OLZOCXBDSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000655131505 420224164 /nfs/dbraw/zinc/22/41/64/420224164.db2.gz DPHBXHQKDUPUGH-OLZOCXBDSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000655131505 420224169 /nfs/dbraw/zinc/22/41/69/420224169.db2.gz DPHBXHQKDUPUGH-OLZOCXBDSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000655131507 420224802 /nfs/dbraw/zinc/22/48/02/420224802.db2.gz DPHBXHQKDUPUGH-QWHCGFSZSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000655131507 420224807 /nfs/dbraw/zinc/22/48/07/420224807.db2.gz DPHBXHQKDUPUGH-QWHCGFSZSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000655131507 420224810 /nfs/dbraw/zinc/22/48/10/420224810.db2.gz DPHBXHQKDUPUGH-QWHCGFSZSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000655131507 420224814 /nfs/dbraw/zinc/22/48/14/420224814.db2.gz DPHBXHQKDUPUGH-QWHCGFSZSA-N 2 1 284.404 -0.211 20 0 CBADMP O=C([C@@H]1CCC[NH+]1C1CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655294614 420236713 /nfs/dbraw/zinc/23/67/13/420236713.db2.gz CUGDCAMYFCKPQG-MJBXVCDLSA-N 2 1 279.384 -0.109 20 0 CBADMP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655294614 420236716 /nfs/dbraw/zinc/23/67/16/420236716.db2.gz CUGDCAMYFCKPQG-MJBXVCDLSA-N 2 1 279.384 -0.109 20 0 CBADMP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655294614 420236721 /nfs/dbraw/zinc/23/67/21/420236721.db2.gz CUGDCAMYFCKPQG-MJBXVCDLSA-N 2 1 279.384 -0.109 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)[C@@H](C)C[NH2+]1 ZINC000419095541 420243892 /nfs/dbraw/zinc/24/38/92/420243892.db2.gz CLBFIXXBLMRZTN-QWRGUYRKSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419524956 420244831 /nfs/dbraw/zinc/24/48/31/420244831.db2.gz QQYCJGJBNZFBST-RYUDHWBXSA-N 2 1 296.415 -0.027 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419847373 420245362 /nfs/dbraw/zinc/24/53/62/420245362.db2.gz SZRQLIDZZRKOGY-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419524958 420245541 /nfs/dbraw/zinc/24/55/41/420245541.db2.gz QQYCJGJBNZFBST-VXGBXAGGSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000419582146 420245669 /nfs/dbraw/zinc/24/56/69/420245669.db2.gz JEFWNJCXPONDRB-WOPDTQHZSA-N 2 1 296.415 -0.029 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000419767577 420245734 /nfs/dbraw/zinc/24/57/34/420245734.db2.gz BZYSZWYNWQHDAK-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000419501127 420246565 /nfs/dbraw/zinc/24/65/65/420246565.db2.gz ASHJXAIEBIXECF-UHFFFAOYSA-N 2 1 270.377 -0.687 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000420135565 420247395 /nfs/dbraw/zinc/24/73/95/420247395.db2.gz DXYPFKUVCYZCAO-AGIUHOORSA-N 2 1 296.415 -0.347 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419901833 420248208 /nfs/dbraw/zinc/24/82/08/420248208.db2.gz VDLDYYGRZRVBDT-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](Nc1cc[nH+]c(N2CCOCC2)n1)[C@H](C)[NH3+] ZINC000420254554 420252291 /nfs/dbraw/zinc/25/22/91/420252291.db2.gz ABHJSDVRLHKIJQ-VHSXEESVSA-N 2 1 251.334 0.461 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([NH3+])CC2)CC[N@@H+]1C ZINC000423373018 420255313 /nfs/dbraw/zinc/25/53/13/420255313.db2.gz GTBBHISCLGISTB-ZDUSSCGKSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([NH3+])CC2)CC[N@H+]1C ZINC000423373018 420255314 /nfs/dbraw/zinc/25/53/14/420255314.db2.gz GTBBHISCLGISTB-ZDUSSCGKSA-N 2 1 296.415 -0.265 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000422976087 420255389 /nfs/dbraw/zinc/25/53/89/420255389.db2.gz UOEAJAOOHOKFST-NWDGAFQWSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488053 420255444 /nfs/dbraw/zinc/25/54/44/420255444.db2.gz RZSKUFFINVTGDR-FQUUOJAGSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488053 420255447 /nfs/dbraw/zinc/25/54/47/420255447.db2.gz RZSKUFFINVTGDR-FQUUOJAGSA-N 2 1 299.415 -0.021 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([NH3+])CC2)CC[N@@H+]1C ZINC000423373017 420255709 /nfs/dbraw/zinc/25/57/09/420255709.db2.gz GTBBHISCLGISTB-CYBMUJFWSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([NH3+])CC2)CC[N@H+]1C ZINC000423373017 420255710 /nfs/dbraw/zinc/25/57/10/420255710.db2.gz GTBBHISCLGISTB-CYBMUJFWSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC000423975613 420258905 /nfs/dbraw/zinc/25/89/05/420258905.db2.gz LTQUNSVZWSJGFT-GRYCIOLGSA-N 2 1 255.362 -0.099 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC000423975613 420258912 /nfs/dbraw/zinc/25/89/12/420258912.db2.gz LTQUNSVZWSJGFT-GRYCIOLGSA-N 2 1 255.362 -0.099 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655515429 420261782 /nfs/dbraw/zinc/26/17/82/420261782.db2.gz JXLGOGDQVDFAES-YUMQZZPRSA-N 2 1 269.267 -0.287 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655515429 420261786 /nfs/dbraw/zinc/26/17/86/420261786.db2.gz JXLGOGDQVDFAES-YUMQZZPRSA-N 2 1 269.267 -0.287 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655755286 420271130 /nfs/dbraw/zinc/27/11/30/420271130.db2.gz WEHLWXDHGNMHAI-HUUCEWRRSA-N 2 1 283.416 -0.104 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000430725564 420272476 /nfs/dbraw/zinc/27/24/76/420272476.db2.gz XTGMUTNLIGIQEK-SDDRHHMPSA-N 2 1 257.378 -0.117 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000430725564 420272479 /nfs/dbraw/zinc/27/24/79/420272479.db2.gz XTGMUTNLIGIQEK-SDDRHHMPSA-N 2 1 257.378 -0.117 20 0 CBADMP O=C([C@@H]1CCC[N@@H+](CCn2cncn2)C1)N1CC[NH2+]CC1 ZINC000430611088 420272721 /nfs/dbraw/zinc/27/27/21/420272721.db2.gz NBJALEKNFULWLZ-CYBMUJFWSA-N 2 1 292.387 -0.578 20 0 CBADMP [NH3+]C[C@@H](NC(=O)N1CC[NH+](CCO)CC1)C(F)(F)F ZINC000655918799 420275426 /nfs/dbraw/zinc/27/54/26/420275426.db2.gz DIDFAPSODUUOFD-MRVPVSSYSA-N 2 1 284.282 -0.805 20 0 CBADMP C[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655910579 420275646 /nfs/dbraw/zinc/27/56/46/420275646.db2.gz YTDIPZPQSMQRGG-ZETCQYMHSA-N 2 1 254.256 -0.167 20 0 CBADMP C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000655919853 420277909 /nfs/dbraw/zinc/27/79/09/420277909.db2.gz GBXWMLYPVMMNBB-CIUDSAMLSA-N 2 1 298.309 -0.106 20 0 CBADMP C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000655919853 420277913 /nfs/dbraw/zinc/27/79/13/420277913.db2.gz GBXWMLYPVMMNBB-CIUDSAMLSA-N 2 1 298.309 -0.106 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655923690 420278568 /nfs/dbraw/zinc/27/85/68/420278568.db2.gz BICUMWUJFJFQIH-VXNVDRBHSA-N 2 1 284.282 -0.758 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655962856 420282754 /nfs/dbraw/zinc/28/27/54/420282754.db2.gz SIBOMYYAJBSGIV-RWMBFGLXSA-N 2 1 282.388 -0.554 20 0 CBADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968092 420284066 /nfs/dbraw/zinc/28/40/66/420284066.db2.gz MCDWOASKZYETJM-XWLWVQCSSA-N 2 1 256.350 -0.818 20 0 CBADMP O=C(N[C@H]1CCC[NH2+]CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655966217 420284621 /nfs/dbraw/zinc/28/46/21/420284621.db2.gz QIQSWOYEJFJERV-RWMBFGLXSA-N 2 1 282.388 -0.411 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC000655967025 420285608 /nfs/dbraw/zinc/28/56/08/420285608.db2.gz KRMQVCHBISJGBI-ZDEQEGDKSA-N 2 1 282.388 -0.413 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+](C)C[C@H]2COCCO2)C1=O ZINC000656480207 420311046 /nfs/dbraw/zinc/31/10/46/420311046.db2.gz YCAHVYABUNSVEV-NWDGAFQWSA-N 2 1 299.371 -0.977 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+](C)C[C@H]2COCCO2)C1=O ZINC000656480207 420311051 /nfs/dbraw/zinc/31/10/51/420311051.db2.gz YCAHVYABUNSVEV-NWDGAFQWSA-N 2 1 299.371 -0.977 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673518552 544876289 /nfs/dbraw/zinc/87/62/89/544876289.db2.gz CKBPJZIITTXMSU-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CCOC(=O)CCCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000516785206 420364137 /nfs/dbraw/zinc/36/41/37/420364137.db2.gz HDPWYAJKIJYPOU-RYUDHWBXSA-N 2 1 283.372 -0.036 20 0 CBADMP C[C@H](Cn1cncn1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000657868980 420364413 /nfs/dbraw/zinc/36/44/13/420364413.db2.gz FHTLPNZSDRKOCF-GFCCVEGCSA-N 2 1 280.376 -0.580 20 0 CBADMP [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656019146 420291756 /nfs/dbraw/zinc/29/17/56/420291756.db2.gz AEVXZHQANGMXRE-VXGBXAGGSA-N 2 1 282.388 -0.416 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656022702 420293405 /nfs/dbraw/zinc/29/34/05/420293405.db2.gz KLABPLRMZHZSOI-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656028504 420295583 /nfs/dbraw/zinc/29/55/83/420295583.db2.gz LXEKPCQESZATBP-RWMBFGLXSA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@]1(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CCC[NH2+]1 ZINC000516929927 420368229 /nfs/dbraw/zinc/36/82/29/420368229.db2.gz WAEHPZWWJZGJKD-BXUZGUMPSA-N 2 1 282.388 -0.416 20 0 CBADMP C[C@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCC[NH2+]1 ZINC000516929930 420368430 /nfs/dbraw/zinc/36/84/30/420368430.db2.gz WAEHPZWWJZGJKD-SMDDNHRTSA-N 2 1 282.388 -0.416 20 0 CBADMP C[C@@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCC[NH2+]1 ZINC000516929928 420368667 /nfs/dbraw/zinc/36/86/67/420368667.db2.gz WAEHPZWWJZGJKD-FZMZJTMJSA-N 2 1 282.388 -0.416 20 0 CBADMP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000517358503 420376483 /nfs/dbraw/zinc/37/64/83/420376483.db2.gz FUYYQRLHDGZGSM-VHSXEESVSA-N 2 1 276.331 -0.749 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000519704364 420385930 /nfs/dbraw/zinc/38/59/30/420385930.db2.gz MBSICODRUROTKM-DGCLKSJQSA-N 2 1 265.361 -0.067 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000519704364 420385932 /nfs/dbraw/zinc/38/59/32/420385932.db2.gz MBSICODRUROTKM-DGCLKSJQSA-N 2 1 265.361 -0.067 20 0 CBADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+](C)C ZINC000674288398 544901161 /nfs/dbraw/zinc/90/11/61/544901161.db2.gz DXQDZDJIYGNXSN-KBPBESRZSA-N 2 1 298.431 -0.541 20 0 CBADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000516864976 420366177 /nfs/dbraw/zinc/36/61/77/420366177.db2.gz KYVHMKCTRTXKOM-UPJWGTAASA-N 2 1 296.415 -0.170 20 0 CBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000516970950 420367308 /nfs/dbraw/zinc/36/73/08/420367308.db2.gz MYTZVHSHXNFTGZ-MNOVXSKESA-N 2 1 270.402 -0.845 20 0 CBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000516970951 420368001 /nfs/dbraw/zinc/36/80/01/420368001.db2.gz MYTZVHSHXNFTGZ-QWRGUYRKSA-N 2 1 270.402 -0.845 20 0 CBADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000516970949 420368053 /nfs/dbraw/zinc/36/80/53/420368053.db2.gz MYTZVHSHXNFTGZ-GHMZBOCLSA-N 2 1 270.402 -0.845 20 0 CBADMP C[C@H](NC(=O)CN1CC[NH+](C)CC1)[C@@H]1CN(C)CCO1 ZINC000676346635 544948505 /nfs/dbraw/zinc/94/85/05/544948505.db2.gz COTQICNFRDWATR-STQMWFEESA-N 2 1 284.404 -0.931 20 0 CBADMP C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)[C@@H]1CN(C)CCO1 ZINC000676347982 544949391 /nfs/dbraw/zinc/94/93/91/544949391.db2.gz KYUWSESCEHDERJ-IHRRRGAJSA-N 2 1 298.431 -0.542 20 0 CBADMP C[C@H]1C[C@H](NC(=O)CN2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000674689006 544912249 /nfs/dbraw/zinc/91/22/49/544912249.db2.gz GNYBQBYYEDICQB-STQMWFEESA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@H]1C[C@H](NC(=O)CN2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000674689006 544912253 /nfs/dbraw/zinc/91/22/53/544912253.db2.gz GNYBQBYYEDICQB-STQMWFEESA-N 2 1 280.416 -0.025 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000674753623 544913506 /nfs/dbraw/zinc/91/35/06/544913506.db2.gz DHMZZTXTZNQXRD-UHFFFAOYSA-N 2 1 284.404 -0.441 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000674753623 544913510 /nfs/dbraw/zinc/91/35/10/544913510.db2.gz DHMZZTXTZNQXRD-UHFFFAOYSA-N 2 1 284.404 -0.441 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NCCC[NH+]1CCOCC1 ZINC000659423895 420418900 /nfs/dbraw/zinc/41/89/00/420418900.db2.gz PCFDSPQMZIPDIJ-LLVKDONJSA-N 2 1 258.366 -0.384 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000659466205 420421302 /nfs/dbraw/zinc/42/13/02/420421302.db2.gz VQYULRHFTISDNW-VIFPVBQESA-N 2 1 268.365 -0.107 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659459484 420421721 /nfs/dbraw/zinc/42/17/21/420421721.db2.gz YYFDNOFUJVOZRC-IJLUTSLNSA-N 2 1 288.367 -0.212 20 0 CBADMP C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC000659471281 420422031 /nfs/dbraw/zinc/42/20/31/420422031.db2.gz RYDQDIBDSPPNPC-VWYCJHECSA-N 2 1 256.350 -0.633 20 0 CBADMP C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659471281 420422034 /nfs/dbraw/zinc/42/20/34/420422034.db2.gz RYDQDIBDSPPNPC-VWYCJHECSA-N 2 1 256.350 -0.633 20 0 CBADMP C[C@H](NC(=O)N1CC2CC1(C[NH3+])C2)[C@@H]1C[N@H+](C)CCO1 ZINC000659470300 420422144 /nfs/dbraw/zinc/42/21/44/420422144.db2.gz ACWYKNURSMZIET-ATWGWHJKSA-N 2 1 282.388 -0.162 20 0 CBADMP C[C@H](NC(=O)N1CC2CC1(C[NH3+])C2)[C@@H]1C[N@@H+](C)CCO1 ZINC000659470300 420422146 /nfs/dbraw/zinc/42/21/46/420422146.db2.gz ACWYKNURSMZIET-ATWGWHJKSA-N 2 1 282.388 -0.162 20 0 CBADMP C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1C[N@H+](C)CCO1 ZINC000659471664 420423024 /nfs/dbraw/zinc/42/30/24/420423024.db2.gz UZYGZVUPHSVTHQ-JJMZSNKZSA-N 2 1 282.388 -0.243 20 0 CBADMP C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1C[N@@H+](C)CCO1 ZINC000659471664 420423027 /nfs/dbraw/zinc/42/30/27/420423027.db2.gz UZYGZVUPHSVTHQ-JJMZSNKZSA-N 2 1 282.388 -0.243 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000677868608 544986817 /nfs/dbraw/zinc/98/68/17/544986817.db2.gz JDGFAUPQIFTGJC-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000677868608 544986820 /nfs/dbraw/zinc/98/68/20/544986820.db2.gz JDGFAUPQIFTGJC-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000677868608 544986825 /nfs/dbraw/zinc/98/68/25/544986825.db2.gz JDGFAUPQIFTGJC-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000376652456 230258059 /nfs/dbraw/zinc/25/80/59/230258059.db2.gz QMWHDPZHPWWJMK-WUHRBBMRSA-N 2 1 299.415 -0.287 20 0 CBADMP O=C(CN1CCC(O)(CN2CCOCC2)CC1)NC1CC1 ZINC000678714319 545020675 /nfs/dbraw/zinc/02/06/75/545020675.db2.gz FNMYIYXJRFHHPY-UHFFFAOYSA-N 2 1 297.399 -0.576 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659552931 420433523 /nfs/dbraw/zinc/43/35/23/420433523.db2.gz GWEUOEOVIFGOPE-RYUDHWBXSA-N 2 1 270.377 -0.242 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659750057 420467373 /nfs/dbraw/zinc/46/73/73/420467373.db2.gz DFWBZTDBDDTENB-QWRGUYRKSA-N 2 1 284.404 -0.301 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)CCCC(N)=O)C2)CC1 ZINC000683851595 545067477 /nfs/dbraw/zinc/06/74/77/545067477.db2.gz YMJGLHVWHQBSGI-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)CCCC(N)=O)C2)CC1 ZINC000683851595 545067478 /nfs/dbraw/zinc/06/74/78/545067478.db2.gz YMJGLHVWHQBSGI-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000659758022 420469320 /nfs/dbraw/zinc/46/93/20/420469320.db2.gz XFRSDHXQRUNLSL-GRYCIOLGSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000659757507 420469326 /nfs/dbraw/zinc/46/93/26/420469326.db2.gz YXAOWHIHNYFUBQ-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000659612936 420437964 /nfs/dbraw/zinc/43/79/64/420437964.db2.gz YHYWXRVVESTQQE-LBPRGKRZSA-N 2 1 282.388 -0.146 20 0 CBADMP COCC[NH+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659621123 420438609 /nfs/dbraw/zinc/43/86/09/420438609.db2.gz WFGHLHLBYRCBPS-UHFFFAOYSA-N 2 1 282.388 -0.288 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)[C@H](C)C1 ZINC000659615320 420438928 /nfs/dbraw/zinc/43/89/28/420438928.db2.gz YSBQFTGAKJTNGO-SIUPQYRZSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H](C)[NH3+] ZINC000493945261 230340580 /nfs/dbraw/zinc/34/05/80/230340580.db2.gz PJAVIPWYEBUYMM-GRYCIOLGSA-N 2 1 284.404 -0.327 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000659636633 420441790 /nfs/dbraw/zinc/44/17/90/420441790.db2.gz XSZOSVVZDIRMHB-QJPTWQEYSA-N 2 1 272.393 -0.309 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000659643273 420442841 /nfs/dbraw/zinc/44/28/41/420442841.db2.gz PTUQGCNHGKIWGR-RYUDHWBXSA-N 2 1 272.393 -0.260 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000659677665 420448023 /nfs/dbraw/zinc/44/80/23/420448023.db2.gz GUQKGFMDOPWMGG-QWRGUYRKSA-N 2 1 284.404 -0.219 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659691125 420449695 /nfs/dbraw/zinc/44/96/95/420449695.db2.gz IITUIZLHTVTTQP-UHFFFAOYSA-N 2 1 291.355 -0.743 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000659695117 420450718 /nfs/dbraw/zinc/45/07/18/420450718.db2.gz RVEOMIQFMWFZHS-JFGNBEQYSA-N 2 1 282.388 -0.691 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000659694473 420450731 /nfs/dbraw/zinc/45/07/31/420450731.db2.gz UECPAEDQJAHWKB-HBNTYKKESA-N 2 1 282.388 -0.548 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000659702557 420452501 /nfs/dbraw/zinc/45/25/01/420452501.db2.gz PVFYUKSFLNTGCR-UWVGGRQHSA-N 2 1 270.377 -0.691 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659705144 420453079 /nfs/dbraw/zinc/45/30/79/420453079.db2.gz VGDCRDCYCUJEOD-MNOVXSKESA-N 2 1 282.388 -0.689 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659704605 420453131 /nfs/dbraw/zinc/45/31/31/420453131.db2.gz MKDGBNHDCLWVHQ-NWDGAFQWSA-N 2 1 280.372 -0.935 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000659709765 420453704 /nfs/dbraw/zinc/45/37/04/420453704.db2.gz LNYISYJTNPKCKK-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH3+])C1 ZINC000659709870 420454138 /nfs/dbraw/zinc/45/41/38/420454138.db2.gz MNXAJLRNNYXRRH-JTQLQIEISA-N 2 1 270.377 -0.560 20 0 CBADMP [NH3+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659709934 420454975 /nfs/dbraw/zinc/45/49/75/420454975.db2.gz NQWOROPXUCKSAX-GFCCVEGCSA-N 2 1 296.415 -0.025 20 0 CBADMP [NH3+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659709939 420455277 /nfs/dbraw/zinc/45/52/77/420455277.db2.gz NQWOROPXUCKSAX-LBPRGKRZSA-N 2 1 296.415 -0.025 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000659711332 420455329 /nfs/dbraw/zinc/45/53/29/420455329.db2.gz ZQEIFNFGFHFDNQ-SDDRHHMPSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659712082 420455408 /nfs/dbraw/zinc/45/54/08/420455408.db2.gz HBUNRIYIYJQDCS-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000659711903 420455517 /nfs/dbraw/zinc/45/55/17/420455517.db2.gz FGDYSMDRCOCQQS-OLZOCXBDSA-N 2 1 296.415 -0.297 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000659715957 420456864 /nfs/dbraw/zinc/45/68/64/420456864.db2.gz UBDGNDAYGWXTJD-RYUDHWBXSA-N 2 1 282.388 -0.560 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000659715958 420457393 /nfs/dbraw/zinc/45/73/93/420457393.db2.gz UBDGNDAYGWXTJD-VXGBXAGGSA-N 2 1 282.388 -0.560 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000659717115 420457749 /nfs/dbraw/zinc/45/77/49/420457749.db2.gz ZWRYHMQDVDTYCL-XQQFMLRXSA-N 2 1 296.415 -0.027 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000659717504 420458412 /nfs/dbraw/zinc/45/84/12/420458412.db2.gz HZTOQQIQGZDDGY-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000659720864 420458963 /nfs/dbraw/zinc/45/89/63/420458963.db2.gz FXLNHBOFOKGJOB-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000659722119 420459210 /nfs/dbraw/zinc/45/92/10/420459210.db2.gz MQSKRJJUHFAKIM-AGIUHOORSA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000659725438 420460300 /nfs/dbraw/zinc/46/03/00/420460300.db2.gz XAPMPGKYEQSSHE-NSHDSACASA-N 2 1 296.415 -0.027 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659733762 420461908 /nfs/dbraw/zinc/46/19/08/420461908.db2.gz HJHFYLISWLGCQQ-UHFFFAOYSA-N 2 1 296.415 -0.072 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000659738860 420462998 /nfs/dbraw/zinc/46/29/98/420462998.db2.gz JGSBJANWGPKUDG-DOMZBBRYSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)C1 ZINC000659738156 420463587 /nfs/dbraw/zinc/46/35/87/420463587.db2.gz AUBZCPZFUVHQLZ-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659738162 420463690 /nfs/dbraw/zinc/46/36/90/420463690.db2.gz AULKNIXDFWQWIK-QWRGUYRKSA-N 2 1 270.377 -0.689 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659738163 420463790 /nfs/dbraw/zinc/46/37/90/420463790.db2.gz AULKNIXDFWQWIK-WDEREUQCSA-N 2 1 270.377 -0.689 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000659738212 420463924 /nfs/dbraw/zinc/46/39/24/420463924.db2.gz BVDBSXHWIAIURM-JTQLQIEISA-N 2 1 256.350 -0.996 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742033 420464743 /nfs/dbraw/zinc/46/47/43/420464743.db2.gz YOCUITYMVZVBHU-AVERBVTBSA-N 2 1 294.399 -0.593 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000659739432 420464929 /nfs/dbraw/zinc/46/49/29/420464929.db2.gz UJQAZWWGEJQLAY-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000659739489 420465104 /nfs/dbraw/zinc/46/51/04/420465104.db2.gz VYZGKFYPYTVKPK-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000659740999 420465234 /nfs/dbraw/zinc/46/52/34/420465234.db2.gz IOAMJTXUNYNRSD-NWDGAFQWSA-N 2 1 284.404 -0.314 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659743914 420466081 /nfs/dbraw/zinc/46/60/81/420466081.db2.gz OLWVSFYWYQXLEV-UHFFFAOYSA-N 2 1 294.399 -0.593 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659749374 420466315 /nfs/dbraw/zinc/46/63/15/420466315.db2.gz HCEJGDNZLJTHHD-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659749822 420467006 /nfs/dbraw/zinc/46/70/06/420467006.db2.gz KEYDYJFQDVUIQV-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000659750943 420467102 /nfs/dbraw/zinc/46/71/02/420467102.db2.gz DZMKUYFXGOESDO-QJPTWQEYSA-N 2 1 282.388 -0.737 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000659750848 420467121 /nfs/dbraw/zinc/46/71/21/420467121.db2.gz QNLYKEHBGHDSDS-QJPTWQEYSA-N 2 1 284.404 -0.348 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000659750850 420467139 /nfs/dbraw/zinc/46/71/39/420467139.db2.gz QNLYKEHBGHDSDS-SDDRHHMPSA-N 2 1 284.404 -0.348 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC000660013088 420480204 /nfs/dbraw/zinc/48/02/04/420480204.db2.gz OBJOGRUNXHKEGX-QWHCGFSZSA-N 2 1 294.399 -0.639 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC000660013088 420480206 /nfs/dbraw/zinc/48/02/06/420480206.db2.gz OBJOGRUNXHKEGX-QWHCGFSZSA-N 2 1 294.399 -0.639 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC000660434809 420490562 /nfs/dbraw/zinc/49/05/62/420490562.db2.gz IPUMQEYTKDSNCY-JSGCOSHPSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC000660434809 420490563 /nfs/dbraw/zinc/49/05/63/420490563.db2.gz IPUMQEYTKDSNCY-JSGCOSHPSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000660434809 420490565 /nfs/dbraw/zinc/49/05/65/420490565.db2.gz IPUMQEYTKDSNCY-JSGCOSHPSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000660434809 420490566 /nfs/dbraw/zinc/49/05/66/420490566.db2.gz IPUMQEYTKDSNCY-JSGCOSHPSA-N 2 1 269.389 -0.101 20 0 CBADMP Cc1nn(C)c(C)c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000517759531 260242082 /nfs/dbraw/zinc/24/20/82/260242082.db2.gz OWVXAOKVWJRIGQ-DGCLKSJQSA-N 2 1 277.372 -0.219 20 0 CBADMP Cc1nn(C)c(C)c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000517759531 260242084 /nfs/dbraw/zinc/24/20/84/260242084.db2.gz OWVXAOKVWJRIGQ-DGCLKSJQSA-N 2 1 277.372 -0.219 20 0 CBADMP COC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](C)C2)CC[NH2+]C1 ZINC000310811037 262175045 /nfs/dbraw/zinc/17/50/45/262175045.db2.gz GIMSDVMXJGNEDB-DGCLKSJQSA-N 2 1 255.362 -0.320 20 0 CBADMP [NH3+]CCNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000518943707 265238422 /nfs/dbraw/zinc/23/84/22/265238422.db2.gz OXPKDXAHOIITFQ-UHFFFAOYSA-N 2 1 282.388 -0.462 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000518980930 265273886 /nfs/dbraw/zinc/27/38/86/265273886.db2.gz WSQOOCXWYDBNGD-RYUDHWBXSA-N 2 1 256.394 -0.278 20 0 CBADMP C[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000237400367 274501667 /nfs/dbraw/zinc/50/16/67/274501667.db2.gz ODABNQGBKQJHTR-LBPRGKRZSA-N 2 1 292.387 -0.548 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)CC[N@@H+]1C ZINC000420084653 276029489 /nfs/dbraw/zinc/02/94/89/276029489.db2.gz AFWOXIPDPRPXTB-GFCCVEGCSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)CC[N@H+]1C ZINC000420084653 276029490 /nfs/dbraw/zinc/02/94/90/276029490.db2.gz AFWOXIPDPRPXTB-GFCCVEGCSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000420006720 276031587 /nfs/dbraw/zinc/03/15/87/276031587.db2.gz RHOSNKNBCITLQL-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000420006720 276031588 /nfs/dbraw/zinc/03/15/88/276031588.db2.gz RHOSNKNBCITLQL-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419860410 276184419 /nfs/dbraw/zinc/18/44/19/276184419.db2.gz KRPYOZMWDMVQRC-NWDGAFQWSA-N 2 1 282.388 -0.560 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000685562526 545081866 /nfs/dbraw/zinc/08/18/66/545081866.db2.gz RBBROGDYIKBNLC-JYJNAYRXSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000419584467 277042211 /nfs/dbraw/zinc/04/22/11/277042211.db2.gz KVBOVYXNCDLOQH-QWRGUYRKSA-N 2 1 282.388 -0.594 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000430949929 277279824 /nfs/dbraw/zinc/27/98/24/277279824.db2.gz FLQRWBIOLKNTLH-OCCSQVGLSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000430949929 277279825 /nfs/dbraw/zinc/27/98/25/277279825.db2.gz FLQRWBIOLKNTLH-OCCSQVGLSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C1 ZINC000423245389 277294255 /nfs/dbraw/zinc/29/42/55/277294255.db2.gz OWQMQDOMELYVBA-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000419029781 278182708 /nfs/dbraw/zinc/18/27/08/278182708.db2.gz SCFZYEXOAMEPKC-UTUOFQBUSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000374798505 278223900 /nfs/dbraw/zinc/22/39/00/278223900.db2.gz JVFCKNVKPSYVCB-AGIUHOORSA-N 2 1 284.404 -0.803 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000374798505 278223901 /nfs/dbraw/zinc/22/39/01/278223901.db2.gz JVFCKNVKPSYVCB-AGIUHOORSA-N 2 1 284.404 -0.803 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C[C@@H]1C ZINC000430723702 278290585 /nfs/dbraw/zinc/29/05/85/278290585.db2.gz SXMYVGCMYDAHGS-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C[C@@H]1C ZINC000430723702 278290587 /nfs/dbraw/zinc/29/05/87/278290587.db2.gz SXMYVGCMYDAHGS-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP CC1(C)C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000053298676 278330759 /nfs/dbraw/zinc/33/07/59/278330759.db2.gz PJTZLWMYOSOYTF-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000362836523 288084307 /nfs/dbraw/zinc/08/43/07/288084307.db2.gz HKXXRPKAMMPEOS-UPJWGTAASA-N 2 1 269.389 -0.027 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000362448776 288086751 /nfs/dbraw/zinc/08/67/51/288086751.db2.gz SHHKOBDHBUFJHK-KGLIPLIRSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000362448776 288086754 /nfs/dbraw/zinc/08/67/54/288086754.db2.gz SHHKOBDHBUFJHK-KGLIPLIRSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000362448776 288086756 /nfs/dbraw/zinc/08/67/56/288086756.db2.gz SHHKOBDHBUFJHK-KGLIPLIRSA-N 2 1 282.432 -0.062 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000420596554 279104669 /nfs/dbraw/zinc/10/46/69/279104669.db2.gz HNCFDCVXPIXAQR-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000419523574 279190392 /nfs/dbraw/zinc/19/03/92/279190392.db2.gz OMFSHAUSDZQZDR-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C)C1CC1 ZINC000419520979 279190548 /nfs/dbraw/zinc/19/05/48/279190548.db2.gz JHSYSXGDIGVHAS-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419334315 288115111 /nfs/dbraw/zinc/11/51/11/288115111.db2.gz MZEHJUAWHNLHDE-KOLCDFICSA-N 2 1 282.388 -0.561 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH3+] ZINC000419592094 279268362 /nfs/dbraw/zinc/26/83/62/279268362.db2.gz RVNVRZJEVDQTEK-LLVKDONJSA-N 2 1 270.377 -0.558 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419576785 279268674 /nfs/dbraw/zinc/26/86/74/279268674.db2.gz CHEVZSIFOQPHFU-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000332355629 279283830 /nfs/dbraw/zinc/28/38/30/279283830.db2.gz SCCZVPMNYLROHJ-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)C[NH3+])CC1=O ZINC000262545454 279305915 /nfs/dbraw/zinc/30/59/15/279305915.db2.gz UVXSUNUSQHYTGD-YNEHKIRRSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351522902 279325110 /nfs/dbraw/zinc/32/51/10/279325110.db2.gz MMIPCGXYWPYNTL-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419884212 279331752 /nfs/dbraw/zinc/33/17/52/279331752.db2.gz FNCFBSOSMWKVCQ-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(=O)n(C)c1=O ZINC000346851427 279337154 /nfs/dbraw/zinc/33/71/54/279337154.db2.gz JUNJJHXPTQSRIZ-ZMLRMANQSA-N 2 1 278.356 -0.747 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424162302 279362345 /nfs/dbraw/zinc/36/23/45/279362345.db2.gz ZKSXNKJEIAWLJH-UPJWGTAASA-N 2 1 268.405 -0.277 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000351829764 279389143 /nfs/dbraw/zinc/38/91/43/279389143.db2.gz OULSRTXEGGZPAA-UTUOFQBUSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000351829764 279389144 /nfs/dbraw/zinc/38/91/44/279389144.db2.gz OULSRTXEGGZPAA-UTUOFQBUSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494895923 280057563 /nfs/dbraw/zinc/05/75/63/280057563.db2.gz FDIYSBGURHUQRS-KKOKHZNYSA-N 2 1 253.346 -0.426 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370771796 280104275 /nfs/dbraw/zinc/10/42/75/280104275.db2.gz IDQQCUMGICUNAB-CRWXNKLISA-N 2 1 279.384 -0.083 20 0 CBADMP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000037812745 280112584 /nfs/dbraw/zinc/11/25/84/280112584.db2.gz FUUOQJCWWUHUNX-SRVKXCTJSA-N 2 1 253.346 -0.594 20 0 CBADMP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000037812745 280112585 /nfs/dbraw/zinc/11/25/85/280112585.db2.gz FUUOQJCWWUHUNX-SRVKXCTJSA-N 2 1 253.346 -0.594 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCC[N@H+]1C ZINC000419541706 280116438 /nfs/dbraw/zinc/11/64/38/280116438.db2.gz DGBOCSHDVORLBW-QJPTWQEYSA-N 2 1 282.388 -0.465 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@H+]1C[C@H](C)O ZINC000262058138 280369948 /nfs/dbraw/zinc/36/99/48/280369948.db2.gz RLQCQFFGJIJNLH-DGAVXFQQSA-N 2 1 299.415 -0.204 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[N@H+]1C[C@H](C)O ZINC000246748167 280370548 /nfs/dbraw/zinc/37/05/48/280370548.db2.gz ZQDIGYUFGXQDJA-XQQFMLRXSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@H+]1CCOC ZINC000424142024 280371424 /nfs/dbraw/zinc/37/14/24/280371424.db2.gz HRARUIYNDYWXHZ-UTUOFQBUSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000189310711 280842254 /nfs/dbraw/zinc/84/22/54/280842254.db2.gz JEHJNHRXWQPZCF-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000187950790 281144694 /nfs/dbraw/zinc/14/46/94/281144694.db2.gz JFZPXNLMBKWTID-ZOBORPQBSA-N 2 1 299.415 -0.333 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000187950790 281144695 /nfs/dbraw/zinc/14/46/95/281144695.db2.gz JFZPXNLMBKWTID-ZOBORPQBSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000332560520 288307521 /nfs/dbraw/zinc/30/75/21/288307521.db2.gz QDUZRLOOQKOVTD-UPJWGTAASA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC[N@H+]1C ZINC000419556951 289049249 /nfs/dbraw/zinc/04/92/49/289049249.db2.gz LMMUGOPPUVRJKR-LPWJVIDDSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)CCC[N@H+]1C ZINC000343294741 289049313 /nfs/dbraw/zinc/04/93/13/289049313.db2.gz JOSFMTYKMVODLU-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)CCC[NH+]1C ZINC000343294741 289049316 /nfs/dbraw/zinc/04/93/16/289049316.db2.gz JOSFMTYKMVODLU-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CCC[NH+]1C ZINC000343294741 289049318 /nfs/dbraw/zinc/04/93/18/289049318.db2.gz JOSFMTYKMVODLU-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)C1(CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CCC1 ZINC000446616097 289050759 /nfs/dbraw/zinc/05/07/59/289050759.db2.gz VGILQYOHSIADSR-AWEZNQCLSA-N 2 1 284.404 -0.164 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[NH+](C)C ZINC000341850157 289076757 /nfs/dbraw/zinc/07/67/57/289076757.db2.gz GEYQQYLKFCXBOI-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@]1(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)CC[NH2+]C1 ZINC000261747754 289164787 /nfs/dbraw/zinc/16/47/87/289164787.db2.gz JGOYIXJXHUTKSM-DZGCQCFKSA-N 2 1 280.416 -0.118 20 0 CBADMP C[C@@]1(C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)CC[NH2+]C1 ZINC000261747754 289164791 /nfs/dbraw/zinc/16/47/91/289164791.db2.gz JGOYIXJXHUTKSM-DZGCQCFKSA-N 2 1 280.416 -0.118 20 0 CBADMP C[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)C[NH+]1CCCC1 ZINC000062076436 289680989 /nfs/dbraw/zinc/68/09/89/289680989.db2.gz BHASCAGKKORPCG-NXEZZACHSA-N 2 1 256.350 -0.963 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CCCC[C@H]2C(=[NH2+])NO)CC1 ZINC000368479869 290010571 /nfs/dbraw/zinc/01/05/71/290010571.db2.gz XHEGGXUIGMJIRR-LBPRGKRZSA-N 2 1 297.403 -0.039 20 0 CBADMP C[NH+]1CCN(C(=O)CCN(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000420324316 290010805 /nfs/dbraw/zinc/01/08/05/290010805.db2.gz VGYRPNUCZSNSKQ-AWEZNQCLSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCN(C(=O)CCN(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000420324317 290010840 /nfs/dbraw/zinc/01/08/40/290010840.db2.gz VGYRPNUCZSNSKQ-CQSZACIVSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000427290684 290092990 /nfs/dbraw/zinc/09/29/90/290092990.db2.gz BUJZDQMLERCMNR-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)[C@@H](C)C1 ZINC000418409090 290098366 /nfs/dbraw/zinc/09/83/66/290098366.db2.gz VGXAQJGRGWAXGI-GVXVVHGQSA-N 2 1 284.404 -0.180 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000332713215 290237665 /nfs/dbraw/zinc/23/76/65/290237665.db2.gz LRJIQRJIZOYVBP-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000164990986 290388749 /nfs/dbraw/zinc/38/87/49/290388749.db2.gz LWODGNCHOSKBIQ-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333744718 297006009 /nfs/dbraw/zinc/00/60/09/297006009.db2.gz YDALOVLBUHIAKN-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333744718 297006011 /nfs/dbraw/zinc/00/60/11/297006011.db2.gz YDALOVLBUHIAKN-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP Cn1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC000347081386 294234910 /nfs/dbraw/zinc/23/49/10/294234910.db2.gz YLINYJSURUCLRC-SNVBAGLBSA-N 2 1 266.345 -0.745 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252881564 295072611 /nfs/dbraw/zinc/07/26/11/295072611.db2.gz YWAPKDCRXBNIAW-GUBZILKMSA-N 2 1 254.334 -0.369 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000340117753 295110142 /nfs/dbraw/zinc/11/01/42/295110142.db2.gz DEDJDIFJMXZOHN-AVGNSLFASA-N 2 1 296.415 -0.040 20 0 CBADMP [NH3+]CC1(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000414661695 295223000 /nfs/dbraw/zinc/22/30/00/295223000.db2.gz XQTPQVOPZCRKBY-CYBMUJFWSA-N 3 1 280.416 -0.131 20 0 CBADMP [NH3+]CC1(C[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 ZINC000414661695 295223002 /nfs/dbraw/zinc/22/30/02/295223002.db2.gz XQTPQVOPZCRKBY-CYBMUJFWSA-N 2 1 280.416 -0.131 20 0 CBADMP [NH3+]CC1(C[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 ZINC000414661695 295223003 /nfs/dbraw/zinc/22/30/03/295223003.db2.gz XQTPQVOPZCRKBY-CYBMUJFWSA-N 2 1 280.416 -0.131 20 0 CBADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000333938557 295259737 /nfs/dbraw/zinc/25/97/37/295259737.db2.gz MNPXYCZRDCYADA-UPJWGTAASA-N 2 1 282.388 -0.018 20 0 CBADMP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000333938555 295259850 /nfs/dbraw/zinc/25/98/50/295259850.db2.gz MNPXYCZRDCYADA-FRRDWIJNSA-N 2 1 282.388 -0.018 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332203242 295269009 /nfs/dbraw/zinc/26/90/09/295269009.db2.gz DKRBLBJGSWTNBR-NEPJUHHUSA-N 2 1 280.372 -0.757 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000438882472 303259327 /nfs/dbraw/zinc/25/93/27/303259327.db2.gz JYVQUTAVPHLWFE-NSHDSACASA-N 2 1 270.377 -0.429 20 0 CBADMP [NH3+]CCN(CCO)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000417717114 303380930 /nfs/dbraw/zinc/38/09/30/303380930.db2.gz VCGMSOFWUGQGGL-LBPRGKRZSA-N 2 1 284.404 -0.034 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000580715854 327736991 /nfs/dbraw/zinc/73/69/91/327736991.db2.gz ZGYGANAJTYXYIV-UTUOFQBUSA-N 2 1 283.372 -0.181 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1cnn(C)c1 ZINC000581251912 327872777 /nfs/dbraw/zinc/87/27/77/327872777.db2.gz FAGKNCZQBMNFMS-QXEWZRGKSA-N 2 1 253.350 -0.077 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000563144302 327929738 /nfs/dbraw/zinc/92/97/38/327929738.db2.gz VYUDRXJKOADPIV-WDEREUQCSA-N 2 1 298.339 -0.675 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000563639950 328079535 /nfs/dbraw/zinc/07/95/35/328079535.db2.gz LFOMYGDLSMCVNX-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000563660765 328082475 /nfs/dbraw/zinc/08/24/75/328082475.db2.gz VHCCMGFFDSEDBO-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000216159877 328113979 /nfs/dbraw/zinc/11/39/79/328113979.db2.gz GWBFXRXSBHXNOC-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000216159877 328113980 /nfs/dbraw/zinc/11/39/80/328113980.db2.gz GWBFXRXSBHXNOC-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000584340475 328127859 /nfs/dbraw/zinc/12/78/59/328127859.db2.gz GEGHIJVUTWKNLL-WCQYABFASA-N 2 1 283.420 -0.247 20 0 CBADMP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CCO1 ZINC000571523316 328131561 /nfs/dbraw/zinc/13/15/61/328131561.db2.gz VBDXWVURXUUGBN-UONOGXRCSA-N 2 1 297.399 -0.184 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000571526547 328131789 /nfs/dbraw/zinc/13/17/89/328131789.db2.gz IEYLCFVQLOLNKP-CHWSQXEVSA-N 2 1 268.405 -0.180 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+](CCO)C1CCOCC1 ZINC000571533372 328132305 /nfs/dbraw/zinc/13/23/05/328132305.db2.gz PETDVENLEDWUSV-AWEZNQCLSA-N 2 1 290.404 -0.601 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000571532652 328132489 /nfs/dbraw/zinc/13/24/89/328132489.db2.gz YSCIYNRWFMYEAT-UHFFFAOYSA-N 2 1 279.331 -0.067 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C2CC2)CC1 ZINC000388780234 328303113 /nfs/dbraw/zinc/30/31/13/328303113.db2.gz MYOFVUYTYRGXRZ-CQSZACIVSA-N 2 1 271.405 -0.295 20 0 CBADMP C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)[N@@H+](C)C1CC1 ZINC000583132918 329318986 /nfs/dbraw/zinc/31/89/86/329318986.db2.gz KJPUDSQMWAAMSG-AAEUAGOBSA-N 2 1 283.420 -0.328 20 0 CBADMP C[C@H](C(=O)N1CC[NH2+][C@@H](C)[C@H]1C)N1CC[NH+](C)CC1 ZINC000575315748 335092799 /nfs/dbraw/zinc/09/27/99/335092799.db2.gz BFYULEMUWXQBTK-YNEHKIRRSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000557297411 327000798 /nfs/dbraw/zinc/00/07/98/327000798.db2.gz JYDPISBQVKBBOT-MNOVXSKESA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)[N@H+]1CCC[C@H](C)C1 ZINC000557297412 327000862 /nfs/dbraw/zinc/00/08/62/327000862.db2.gz JYDPISBQVKBBOT-QWRGUYRKSA-N 2 1 282.388 -0.689 20 0 CBADMP C[NH2+][C@H]1CCCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000569003740 327028544 /nfs/dbraw/zinc/02/85/44/327028544.db2.gz RATVOCOMHRFZIL-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP COC(=O)CN(C)C(=O)CC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000584113896 327040875 /nfs/dbraw/zinc/04/08/75/327040875.db2.gz OZAQLRHZSFYCHH-CYBMUJFWSA-N 2 1 271.361 -0.275 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000584171450 327056838 /nfs/dbraw/zinc/05/68/38/327056838.db2.gz ZNISAEAZUDFUMD-LLVKDONJSA-N 2 1 280.376 -0.302 20 0 CBADMP C[NH2+]C1CC[NH+](CCC(=O)N(C)CC(=O)OC)CC1 ZINC000584232090 327071144 /nfs/dbraw/zinc/07/11/44/327071144.db2.gz DHVNBBSPNPHLMK-UHFFFAOYSA-N 2 1 271.361 -0.308 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1([NH3+])CCC1 ZINC000564897792 327118407 /nfs/dbraw/zinc/11/84/07/327118407.db2.gz QDVIQECUDVTKTE-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP COC(=O)c1cn([C@@H]2CCC[N@@H+](CCOCC[NH3+])C2)nn1 ZINC000564656840 327198621 /nfs/dbraw/zinc/19/86/21/327198621.db2.gz OAXBQFKQOAQVRK-LLVKDONJSA-N 2 1 297.359 -0.323 20 0 CBADMP NC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569576732 327200866 /nfs/dbraw/zinc/20/08/66/327200866.db2.gz CYDGAYZHMBRBDF-ZJUUUORDSA-N 2 1 254.334 -0.497 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000584299797 327229724 /nfs/dbraw/zinc/22/97/24/327229724.db2.gz VRMXRGGELIWTAR-MBNYWOFBSA-N 2 1 269.389 -0.054 20 0 CBADMP O[C@H](C[NH2+]C[C@H](O)Cn1cccn1)C[NH+]1CCCCC1 ZINC000564975248 327301350 /nfs/dbraw/zinc/30/13/50/327301350.db2.gz HVQAGTOIWSJALJ-KGLIPLIRSA-N 2 1 282.388 -0.320 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000564978450 327310775 /nfs/dbraw/zinc/31/07/75/327310775.db2.gz DNQVREGHPJCWEI-DMDPSCGWSA-N 2 1 296.415 -0.077 20 0 CBADMP [NH3+]CCC1CC[NH+](CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000566356408 327333430 /nfs/dbraw/zinc/33/34/30/327333430.db2.gz YOOWGDMZDCJPBD-UHFFFAOYSA-N 2 1 296.415 -0.214 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)n1C ZINC000583384386 327336283 /nfs/dbraw/zinc/33/62/83/327336283.db2.gz RFONPYVLVPMNFZ-DTORHVGOSA-N 2 1 251.334 -0.160 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000574860743 327387824 /nfs/dbraw/zinc/38/78/24/327387824.db2.gz AAFXDRCDURVJGJ-NWDGAFQWSA-N 2 1 270.377 -0.160 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566497206 327399567 /nfs/dbraw/zinc/39/95/67/327399567.db2.gz XZAWKCTVFFXOLV-FRRDWIJNSA-N 2 1 294.399 -0.369 20 0 CBADMP 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 329129596 /nfs/dbraw/zinc/12/95/96/329129596.db2.gz RGSABBIIHNKLOR-XZUYRWCXSA-N 2 1 294.399 -0.467 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2([NH3+])CCC2)C1 ZINC000582723090 329130487 /nfs/dbraw/zinc/13/04/87/329130487.db2.gz XBZVVSXDTFZPBB-LLVKDONJSA-N 2 1 282.388 -0.429 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000583015073 329302568 /nfs/dbraw/zinc/30/25/68/329302568.db2.gz MSCBDZAFHLFMIY-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP [NH3+][C@H]1C[C@H]2CN(c3[nH+]cnc4[nH]ccc43)CCN2C1=O ZINC000583094247 329315093 /nfs/dbraw/zinc/31/50/93/329315093.db2.gz KXOIWKWZPUADOV-WPRPVWTQSA-N 2 1 272.312 -0.294 20 0 CBADMP C[C@@H](NC(=O)[C@@H](C)[NH+]1CC(C)C1)C(=O)NCC[NH+](C)C ZINC000584539238 329518701 /nfs/dbraw/zinc/51/87/01/329518701.db2.gz MZDMRTSQEJRSID-VXGBXAGGSA-N 2 1 284.404 -0.491 20 0 CBADMP CC(C)C[C@H](NC(=O)C[NH+](C)C)C(=O)NCC[NH+](C)C ZINC000153882131 334681858 /nfs/dbraw/zinc/68/18/58/334681858.db2.gz JASYINNHFNVFLZ-LBPRGKRZSA-N 2 1 286.420 -0.243 20 0 CBADMP COC(=O)C[C@H](N)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000572519576 333115092 /nfs/dbraw/zinc/11/50/92/333115092.db2.gz NAAYVKYRQDACEA-YWVKMMECSA-N 2 1 269.345 -0.382 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000572519576 333115094 /nfs/dbraw/zinc/11/50/94/333115094.db2.gz NAAYVKYRQDACEA-YWVKMMECSA-N 2 1 269.345 -0.382 20 0 CBADMP C[N@H+]1CCC[C@H](CC[NH2+]CCC(=O)NC(N)=O)C1 ZINC000575861744 335124882 /nfs/dbraw/zinc/12/48/82/335124882.db2.gz HNJRIEXIZTZHPE-SNVBAGLBSA-N 2 1 256.350 -0.107 20 0 CBADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)N(C)CC(=O)OC)C1 ZINC000572523672 333185022 /nfs/dbraw/zinc/18/50/22/333185022.db2.gz JWEFFJUGFUMEHU-LLVKDONJSA-N 2 1 271.361 -0.451 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000576015628 335141810 /nfs/dbraw/zinc/14/18/10/335141810.db2.gz DPJGKNAGLPKHKB-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000565656080 334584702 /nfs/dbraw/zinc/58/47/02/334584702.db2.gz FDDCVVUVAHWDQU-GHMZBOCLSA-N 2 1 268.361 -0.854 20 0 CBADMP C[C@@]1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCC[NH2+]1 ZINC000565882153 334605640 /nfs/dbraw/zinc/60/56/40/334605640.db2.gz YWCQJFKJUJCLBN-DOMZBBRYSA-N 2 1 294.399 -0.449 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[NH2+]C2CC2)CC1 ZINC000154629340 334700038 /nfs/dbraw/zinc/70/00/38/334700038.db2.gz YBHNRXRSTYQZJG-UHFFFAOYSA-N 2 1 296.415 -0.155 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000569217049 334861719 /nfs/dbraw/zinc/86/17/19/334861719.db2.gz GKWYROIHFSMFGZ-UHFFFAOYSA-N 2 1 280.319 -0.893 20 0 CBADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)Cn1cccn1 ZINC000576346246 335192416 /nfs/dbraw/zinc/19/24/16/335192416.db2.gz HVQAGTOIWSJALJ-KBPBESRZSA-N 2 1 282.388 -0.320 20 0 CBADMP C[NH2+][C@@H](C)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000576360233 335194400 /nfs/dbraw/zinc/19/44/00/335194400.db2.gz NMFSGLMFSURCEA-RYUDHWBXSA-N 2 1 256.394 -0.406 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576359438 335194642 /nfs/dbraw/zinc/19/46/42/335194642.db2.gz AZUGUBBFICACJQ-YNEHKIRRSA-N 2 1 294.399 -0.369 20 0 CBADMP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000576449354 335204601 /nfs/dbraw/zinc/20/46/01/335204601.db2.gz XQSHNDJLZQLASF-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000576449354 335204603 /nfs/dbraw/zinc/20/46/03/335204603.db2.gz XQSHNDJLZQLASF-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000576449354 335204604 /nfs/dbraw/zinc/20/46/04/335204604.db2.gz XQSHNDJLZQLASF-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000576449354 335204606 /nfs/dbraw/zinc/20/46/06/335204606.db2.gz XQSHNDJLZQLASF-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)[NH+]1CC(C)C1 ZINC000576714933 335239150 /nfs/dbraw/zinc/23/91/50/335239150.db2.gz HZAPXYYEGAEWLF-DOMZBBRYSA-N 2 1 281.400 -0.101 20 0 CBADMP CCC[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@@H+]1CCOC ZINC000576758443 335244378 /nfs/dbraw/zinc/24/43/78/335244378.db2.gz QRKSOARPOHEPCV-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@H+]1CCOC ZINC000576758443 335244379 /nfs/dbraw/zinc/24/43/79/335244379.db2.gz QRKSOARPOHEPCV-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)[C@@H]1CCCOC1)C1CC1 ZINC000576992346 335274922 /nfs/dbraw/zinc/27/49/22/335274922.db2.gz JXKANTCHGAVKTQ-MRVWCRGKSA-N 2 1 272.389 -0.181 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)[C@@H]1CCCOC1)C1CC1 ZINC000576992346 335274923 /nfs/dbraw/zinc/27/49/23/335274923.db2.gz JXKANTCHGAVKTQ-MRVWCRGKSA-N 2 1 272.389 -0.181 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000576999359 335275847 /nfs/dbraw/zinc/27/58/47/335275847.db2.gz WDCSSRUBPVJAHR-GXFFZTMASA-N 2 1 297.359 -0.718 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000576999359 335275848 /nfs/dbraw/zinc/27/58/48/335275848.db2.gz WDCSSRUBPVJAHR-GXFFZTMASA-N 2 1 297.359 -0.718 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)N[C@H]1CC[NH2+]C1 ZINC000577005732 335278178 /nfs/dbraw/zinc/27/81/78/335278178.db2.gz DQAGQSCRSLQEIQ-NSHDSACASA-N 2 1 256.350 -0.630 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)CN2CCNCC2=O)CC[N@H+]1C ZINC000580560469 335280926 /nfs/dbraw/zinc/28/09/26/335280926.db2.gz HIYIAFSDOMRKRS-QWRGUYRKSA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000580571911 335285775 /nfs/dbraw/zinc/28/57/75/335285775.db2.gz IOGBNDKGPKOADK-ZDUSSCGKSA-N 2 1 283.420 -0.325 20 0 CBADMP CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000580647382 335310733 /nfs/dbraw/zinc/31/07/33/335310733.db2.gz HNOPOOGGKDQIRK-NXEZZACHSA-N 2 1 251.334 -0.370 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000577634688 335383398 /nfs/dbraw/zinc/38/33/98/335383398.db2.gz ZSYKVAFNHLOUFG-NXEZZACHSA-N 2 1 257.334 -0.665 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000577634688 335383399 /nfs/dbraw/zinc/38/33/99/335383399.db2.gz ZSYKVAFNHLOUFG-NXEZZACHSA-N 2 1 257.334 -0.665 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1 ZINC000577751864 335397525 /nfs/dbraw/zinc/39/75/25/335397525.db2.gz VKNYVKXDSKFLFL-RYUDHWBXSA-N 2 1 254.330 -0.404 20 0 CBADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000581479059 336086217 /nfs/dbraw/zinc/08/62/17/336086217.db2.gz URMMPGRJGQZBJH-NWDGAFQWSA-N 2 1 294.399 -0.321 20 0 CBADMP c1cnnc(N2CCC[N@H+](CCN3CC[NH2+]CC3)CC2)c1 ZINC000581610723 336112198 /nfs/dbraw/zinc/11/21/98/336112198.db2.gz AOPVEPSHLFQNNU-UHFFFAOYSA-N 2 1 290.415 -0.106 20 0 CBADMP CC[N@H+](C)C[C@H](O)CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581733752 336139809 /nfs/dbraw/zinc/13/98/09/336139809.db2.gz ALTOWGCRNKFWSM-LBPRGKRZSA-N 2 1 267.377 -0.156 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581733752 336139810 /nfs/dbraw/zinc/13/98/10/336139810.db2.gz ALTOWGCRNKFWSM-LBPRGKRZSA-N 2 1 267.377 -0.156 20 0 CBADMP CN1CCN(C(=O)CSC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000581824060 336147650 /nfs/dbraw/zinc/14/76/50/336147650.db2.gz VGKWXESJLVDJBU-GFCCVEGCSA-N 2 1 287.429 -0.176 20 0 CBADMP CN1CCN(C(=O)CSC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000581824060 336147651 /nfs/dbraw/zinc/14/76/51/336147651.db2.gz VGKWXESJLVDJBU-GFCCVEGCSA-N 2 1 287.429 -0.176 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)N1CC[NH+](C)CC1 ZINC000581825176 336147983 /nfs/dbraw/zinc/14/79/83/336147983.db2.gz FOPZKXYXGPYDEA-CMPLNLGQSA-N 2 1 254.378 -0.524 20 0 CBADMP CCCCNC(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581895967 336162315 /nfs/dbraw/zinc/16/23/15/336162315.db2.gz VBKVOPFGUQFZFZ-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP CCCCNC(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581895967 336162317 /nfs/dbraw/zinc/16/23/17/336162317.db2.gz VBKVOPFGUQFZFZ-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000581941562 336173467 /nfs/dbraw/zinc/17/34/67/336173467.db2.gz QVLMMZAENITPPY-PWSUYJOCSA-N 2 1 282.388 -0.417 20 0 CBADMP CN1C[C@H]([N@H+](C)CCC(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000581981788 336183809 /nfs/dbraw/zinc/18/38/09/336183809.db2.gz ROYLAEXMFUWDMQ-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP CN1C[C@H]([N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000581981788 336183810 /nfs/dbraw/zinc/18/38/10/336183810.db2.gz ROYLAEXMFUWDMQ-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP CCNS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222009752 582128671 /nfs/dbraw/zinc/12/86/71/582128671.db2.gz VMAJYUDLNBBZEL-WDEREUQCSA-N 2 1 263.407 -0.002 20 0 CBADMP CCNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222009752 582128673 /nfs/dbraw/zinc/12/86/73/582128673.db2.gz VMAJYUDLNBBZEL-WDEREUQCSA-N 2 1 263.407 -0.002 20 0 CBADMP CON(C)C(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000808781953 582444565 /nfs/dbraw/zinc/44/45/65/582444565.db2.gz ZGSGPELYKJUUDZ-UHFFFAOYSA-N 2 1 274.409 -0.179 20 0 CBADMP CON(C)C(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000808781953 582444566 /nfs/dbraw/zinc/44/45/66/582444566.db2.gz ZGSGPELYKJUUDZ-UHFFFAOYSA-N 2 1 274.409 -0.179 20 0 CBADMP COCC[N@@H+](C)CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000061378602 523603456 /nfs/dbraw/zinc/60/34/56/523603456.db2.gz CAXOWLXSIJUSDF-CYBMUJFWSA-N 2 1 259.394 -0.389 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000157875601 525423067 /nfs/dbraw/zinc/42/30/67/525423067.db2.gz IKYZRJADBFIRLE-IJLUTSLNSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+](CCO)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000376881024 528546573 /nfs/dbraw/zinc/54/65/73/528546573.db2.gz XKPCZLAIGYTEBR-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000376881024 528546577 /nfs/dbraw/zinc/54/65/77/528546577.db2.gz XKPCZLAIGYTEBR-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[NH+](CCO)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000376881024 528546582 /nfs/dbraw/zinc/54/65/82/528546582.db2.gz XKPCZLAIGYTEBR-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[NH+](CCO)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000376881024 528546585 /nfs/dbraw/zinc/54/65/85/528546585.db2.gz XKPCZLAIGYTEBR-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1CC ZINC000377292008 528745790 /nfs/dbraw/zinc/74/57/90/528745790.db2.gz OOWQMMORFXEFDQ-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1CC ZINC000377292008 528745795 /nfs/dbraw/zinc/74/57/95/528745795.db2.gz OOWQMMORFXEFDQ-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000357194378 535187155 /nfs/dbraw/zinc/18/71/55/535187155.db2.gz WDMQASBGNJKNNT-UONOGXRCSA-N 2 1 299.415 -0.162 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@H](C)C[NH3+])CC1 ZINC000357237259 535696727 /nfs/dbraw/zinc/69/67/27/535696727.db2.gz GXVRUMABJOXGJR-GFCCVEGCSA-N 2 1 256.394 -0.275 20 0 CBADMP COCCC[N@H+](CCOCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000357028632 536534858 /nfs/dbraw/zinc/53/48/58/536534858.db2.gz MCJPQFBOYPRJAS-LBPRGKRZSA-N 2 1 294.417 -0.513 20 0 CBADMP COCCC[N@@H+](CCOCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000357028632 536534863 /nfs/dbraw/zinc/53/48/63/536534863.db2.gz MCJPQFBOYPRJAS-LBPRGKRZSA-N 2 1 294.417 -0.513 20 0 CBADMP C[N@@H+]1CCN(CC[NH2+]CCS(C)(=O)=O)CC1(C)C ZINC000110758119 582114406 /nfs/dbraw/zinc/11/44/06/582114406.db2.gz PICMXCJEFUAAHY-UHFFFAOYSA-N 2 1 277.434 -0.353 20 0 CBADMP C[N@H+]1CCN(CC[NH2+]CCS(C)(=O)=O)CC1(C)C ZINC000110758119 582114408 /nfs/dbraw/zinc/11/44/08/582114408.db2.gz PICMXCJEFUAAHY-UHFFFAOYSA-N 2 1 277.434 -0.353 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCC[NH+](C)[C@@H](C)C(N)=O ZINC000118401455 582117280 /nfs/dbraw/zinc/11/72/80/582117280.db2.gz PETZVIUIXWLHPV-AOOOYVTPSA-N 2 1 258.366 -0.622 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCC[N@H+](C)[C@@H](C)C(N)=O ZINC000118401455 582117281 /nfs/dbraw/zinc/11/72/81/582117281.db2.gz PETZVIUIXWLHPV-AOOOYVTPSA-N 2 1 258.366 -0.622 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCC[N@@H+](C)[C@@H](C)C(N)=O ZINC000118401455 582117283 /nfs/dbraw/zinc/11/72/83/582117283.db2.gz PETZVIUIXWLHPV-AOOOYVTPSA-N 2 1 258.366 -0.622 20 0 CBADMP [NH3+][C@@H](CC(=O)NCCC[NH+]1CCOCC1)C1CC1 ZINC000123585658 582119308 /nfs/dbraw/zinc/11/93/08/582119308.db2.gz DRXHFGKECZLUEV-LBPRGKRZSA-N 2 1 255.362 -0.048 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000128975144 582122839 /nfs/dbraw/zinc/12/28/39/582122839.db2.gz VUEVZLIZBRUTGQ-VXGBXAGGSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(CC[C@H]1CC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000134479998 582125013 /nfs/dbraw/zinc/12/50/13/582125013.db2.gz RPAQESMJNJMPTI-LBPRGKRZSA-N 2 1 255.362 -0.487 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C1(COC)CC[NH2+]CC1 ZINC000234620234 582130110 /nfs/dbraw/zinc/13/01/10/582130110.db2.gz VKIRBCGSHPJVJU-UHFFFAOYSA-N 2 1 287.404 -0.303 20 0 CBADMP C[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC000725880199 582135736 /nfs/dbraw/zinc/13/57/36/582135736.db2.gz YVMFTHFGXRIPEY-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000725890991 582135889 /nfs/dbraw/zinc/13/58/89/582135889.db2.gz MGXGAVLWFTXXRL-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000725890991 582135890 /nfs/dbraw/zinc/13/58/90/582135890.db2.gz MGXGAVLWFTXXRL-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=S)NCC[NH+](C)C)C1 ZINC000730733252 582151213 /nfs/dbraw/zinc/15/12/13/582151213.db2.gz IUAMQSXYPWFVRT-NSHDSACASA-N 2 1 274.434 -0.267 20 0 CBADMP C[N@@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000734119911 582167794 /nfs/dbraw/zinc/16/77/94/582167794.db2.gz KAISGYMYPXDSBN-UHFFFAOYSA-N 2 1 255.362 -0.127 20 0 CBADMP C[N@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000734119911 582167795 /nfs/dbraw/zinc/16/77/95/582167795.db2.gz KAISGYMYPXDSBN-UHFFFAOYSA-N 2 1 255.362 -0.127 20 0 CBADMP O=C1C[NH+](CCCC[N@H+]2CCCNC(=O)C2)CCCN1 ZINC000740875664 582265471 /nfs/dbraw/zinc/26/54/71/582265471.db2.gz CKPNMEFDYDDLSQ-UHFFFAOYSA-N 2 1 282.388 -0.590 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCCN(CC(N)=O)CC1 ZINC000746219418 582283887 /nfs/dbraw/zinc/28/38/87/582283887.db2.gz RCBXWZDWHDHVMA-BETUJISGSA-N 2 1 296.415 -0.121 20 0 CBADMP CNC(=O)[C@H](C)C[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000749114997 582289273 /nfs/dbraw/zinc/28/92/73/582289273.db2.gz FFPXQTXQSBAYBH-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000749114997 582289274 /nfs/dbraw/zinc/28/92/74/582289274.db2.gz FFPXQTXQSBAYBH-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[N@H+](CCNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC000751367723 582292772 /nfs/dbraw/zinc/29/27/72/582292772.db2.gz LVXDFENVHXWTGN-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@@H+](CCNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC000751367723 582292773 /nfs/dbraw/zinc/29/27/73/582292773.db2.gz LVXDFENVHXWTGN-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@H]1CN(C)CCO1 ZINC000754353405 582299162 /nfs/dbraw/zinc/29/91/62/582299162.db2.gz DGNDMVKFZOEULL-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000754353405 582299163 /nfs/dbraw/zinc/29/91/63/582299163.db2.gz DGNDMVKFZOEULL-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000754353405 582299164 /nfs/dbraw/zinc/29/91/64/582299164.db2.gz DGNDMVKFZOEULL-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1CCC[NH+]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000754353405 582299165 /nfs/dbraw/zinc/29/91/65/582299165.db2.gz DGNDMVKFZOEULL-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H]1CN(C)CCO1 ZINC000754353409 582299207 /nfs/dbraw/zinc/29/92/07/582299207.db2.gz DGNDMVKFZOEULL-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000754353409 582299208 /nfs/dbraw/zinc/29/92/08/582299208.db2.gz DGNDMVKFZOEULL-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000754353409 582299209 /nfs/dbraw/zinc/29/92/09/582299209.db2.gz DGNDMVKFZOEULL-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1CCC[NH+]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000754353409 582299210 /nfs/dbraw/zinc/29/92/10/582299210.db2.gz DGNDMVKFZOEULL-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CN(C)CCO1 ZINC000754353407 582299218 /nfs/dbraw/zinc/29/92/18/582299218.db2.gz DGNDMVKFZOEULL-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000754353407 582299219 /nfs/dbraw/zinc/29/92/19/582299219.db2.gz DGNDMVKFZOEULL-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000754353407 582299220 /nfs/dbraw/zinc/29/92/20/582299220.db2.gz DGNDMVKFZOEULL-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1CCC[NH+]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000754353407 582299221 /nfs/dbraw/zinc/29/92/21/582299221.db2.gz DGNDMVKFZOEULL-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000767180524 582331887 /nfs/dbraw/zinc/33/18/87/582331887.db2.gz WYEQQOGDUYADDD-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[N@H+](CCO)CCNC(=O)CC[NH+]1CCOCC1 ZINC000769635616 582336288 /nfs/dbraw/zinc/33/62/88/582336288.db2.gz NAAQFZLJNNRGFA-UHFFFAOYSA-N 2 1 273.377 -0.861 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)CC[NH+]1CCOCC1 ZINC000769635616 582336289 /nfs/dbraw/zinc/33/62/89/582336289.db2.gz NAAQFZLJNNRGFA-UHFFFAOYSA-N 2 1 273.377 -0.861 20 0 CBADMP C[C@@H](CCO)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000779343814 582360955 /nfs/dbraw/zinc/36/09/55/582360955.db2.gz BPSGNNLOVNDLNJ-RYUDHWBXSA-N 2 1 257.378 -0.066 20 0 CBADMP OCC[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000781982355 582367160 /nfs/dbraw/zinc/36/71/60/582367160.db2.gz LVHSTMANDHAPIC-CQSZACIVSA-N 2 1 272.389 -0.084 20 0 CBADMP OCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000781982355 582367161 /nfs/dbraw/zinc/36/71/61/582367161.db2.gz LVHSTMANDHAPIC-CQSZACIVSA-N 2 1 272.389 -0.084 20 0 CBADMP O=C1C[C@]2(CC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)CN1 ZINC000789355424 582388226 /nfs/dbraw/zinc/38/82/26/582388226.db2.gz RQNYQFXZWXMSPQ-GXTWGEPZSA-N 2 1 267.373 -0.345 20 0 CBADMP O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)N1 ZINC000789377347 582388311 /nfs/dbraw/zinc/38/83/11/582388311.db2.gz HXGVMOUAMYMWQR-BXUZGUMPSA-N 2 1 296.371 -0.883 20 0 CBADMP O=C1NC(=O)[C@]2(CCC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)N1 ZINC000789377347 582388312 /nfs/dbraw/zinc/38/83/12/582388312.db2.gz HXGVMOUAMYMWQR-BXUZGUMPSA-N 2 1 296.371 -0.883 20 0 CBADMP NC(=O)C1=NO[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000789560948 582388731 /nfs/dbraw/zinc/38/87/31/582388731.db2.gz NWISKIYBHJYNNZ-MXWKQRLJSA-N 2 1 266.345 -0.167 20 0 CBADMP NC(=O)C1=NO[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000789560948 582388732 /nfs/dbraw/zinc/38/87/32/582388732.db2.gz NWISKIYBHJYNNZ-MXWKQRLJSA-N 2 1 266.345 -0.167 20 0 CBADMP C[C@@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000808220675 582442378 /nfs/dbraw/zinc/44/23/78/582442378.db2.gz AGRKXBYMHWVKAL-KBPBESRZSA-N 2 1 298.431 -0.805 20 0 CBADMP NC(=O)C[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000808775175 582444569 /nfs/dbraw/zinc/44/45/69/582444569.db2.gz PUUYEZCTRKBESY-NEPJUHHUSA-N 2 1 255.362 -0.360 20 0 CBADMP CN(CCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)CC[NH+](C)C ZINC000808781764 582444596 /nfs/dbraw/zinc/44/45/96/582444596.db2.gz OYNVIZIXHYOEMB-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000818592663 582512453 /nfs/dbraw/zinc/51/24/53/582512453.db2.gz FWOWVXYAGYFSDH-SNVBAGLBSA-N 2 1 251.334 -0.498 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)C2CC2)C1 ZINC000819004020 582524795 /nfs/dbraw/zinc/52/47/95/582524795.db2.gz JOLWILOZCLXSOD-OLZOCXBDSA-N 2 1 269.389 -0.066 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)C2CC2)CC1 ZINC000819062483 582525563 /nfs/dbraw/zinc/52/55/63/582525563.db2.gz QVEAKLKSXYBHRB-GFCCVEGCSA-N 2 1 255.362 -0.489 20 0 CBADMP CC1(C)CN(C(=O)C[NH+]2CCCC2)CC[N@@H+]1CCO ZINC000822283361 582630253 /nfs/dbraw/zinc/63/02/53/582630253.db2.gz YZFJHPBQHPQJGK-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP CC1(C)CN(C(=O)C[NH+]2CCCC2)CC[N@H+]1CCO ZINC000822283361 582630256 /nfs/dbraw/zinc/63/02/56/582630256.db2.gz YZFJHPBQHPQJGK-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000822933318 582653260 /nfs/dbraw/zinc/65/32/60/582653260.db2.gz DFPCRHYJEANQIW-OLZOCXBDSA-N 2 1 267.373 -0.250 20 0 CBADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)[C@@H](C)C[N@@H+]1CCO ZINC000823683215 582677109 /nfs/dbraw/zinc/67/71/09/582677109.db2.gz RMNXIXACVMMQDX-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)[C@@H](C)C[N@H+]1CCO ZINC000823683215 582677111 /nfs/dbraw/zinc/67/71/11/582677111.db2.gz RMNXIXACVMMQDX-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CC(C)(C)[NH2+]CCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000827528018 582820573 /nfs/dbraw/zinc/82/05/73/582820573.db2.gz DVGBVUXMONTJIF-LLVKDONJSA-N 2 1 257.378 -0.053 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831971478 583009449 /nfs/dbraw/zinc/00/94/49/583009449.db2.gz YLOJKXNEVFGEET-ZJUUUORDSA-N 2 1 257.334 -0.523 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831971478 583009452 /nfs/dbraw/zinc/00/94/52/583009452.db2.gz YLOJKXNEVFGEET-ZJUUUORDSA-N 2 1 257.334 -0.523 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@H]1CCCC[NH2+]1)c1cnn(C)c1 ZINC000832458121 583026408 /nfs/dbraw/zinc/02/64/08/583026408.db2.gz CKZSTSKUGIEEGE-VXGBXAGGSA-N 2 1 265.361 -0.061 20 0 CBADMP C[NH2+][C@@H](C(=O)NCC[NH2+]C1CC1)c1cnn(C)c1 ZINC000832586638 583030687 /nfs/dbraw/zinc/03/06/87/583030687.db2.gz FJRRPPRJWNABFK-LLVKDONJSA-N 2 1 251.334 -0.451 20 0 CBADMP [NH3+]CCCCCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000834536409 583130513 /nfs/dbraw/zinc/13/05/13/583130513.db2.gz ADXYIQYUSZCRRL-ZDUSSCGKSA-N 2 1 296.415 -0.072 20 0 CBADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CC(=O)N(CCCO)C1=O ZINC000840741500 583167325 /nfs/dbraw/zinc/16/73/25/583167325.db2.gz NMTDZGSWGMUKAE-CYBMUJFWSA-N 2 1 297.399 -0.230 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@@H]1CCC[NH2+]C1 ZINC000841790757 583174618 /nfs/dbraw/zinc/17/46/18/583174618.db2.gz JDIBMNFFJJBZMD-FRRDWIJNSA-N 2 1 282.388 -0.099 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)c1cc(OC)ccc1OC ZINC000843082098 583200825 /nfs/dbraw/zinc/20/08/25/583200825.db2.gz XZIGTCYPTFGMHS-GXFFZTMASA-N 2 1 284.356 -0.093 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCCCCC[NH3+] ZINC000843259796 583205112 /nfs/dbraw/zinc/20/51/12/583205112.db2.gz RAMPHMWRXRCERD-UHFFFAOYSA-N 2 1 295.387 -0.057 20 0 CBADMP C[N@@H+](CC(=O)NCC(=O)N1CCCC1)C1CCC([NH3+])CC1 ZINC000843355422 583211949 /nfs/dbraw/zinc/21/19/49/583211949.db2.gz OANNKOCKKJZSNU-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000843475246 583224933 /nfs/dbraw/zinc/22/49/33/583224933.db2.gz HMLKCZNMFBNIEZ-GWCFXTLKSA-N 2 1 281.335 -0.405 20 0 CBADMP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000843481542 583226794 /nfs/dbraw/zinc/22/67/94/583226794.db2.gz XTOPVHCEGCBVGW-VHSXEESVSA-N 2 1 277.315 -0.180 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844174690 583256737 /nfs/dbraw/zinc/25/67/37/583256737.db2.gz AMTNIZCJSMDNGK-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844174689 583256880 /nfs/dbraw/zinc/25/68/80/583256880.db2.gz AMTNIZCJSMDNGK-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844174876 583257346 /nfs/dbraw/zinc/25/73/46/583257346.db2.gz HBLKCPZDLDESBX-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844178950 583257897 /nfs/dbraw/zinc/25/78/97/583257897.db2.gz AGZJGEMWSOVBBN-LBELIVKGSA-N 2 1 265.357 -0.284 20 0 CBADMP C[C@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)C[NH+]1CCOCC1 ZINC000844179800 583257980 /nfs/dbraw/zinc/25/79/80/583257980.db2.gz ZIRHNRBZDUFEEH-KGLIPLIRSA-N 2 1 299.415 -0.161 20 0 CBADMP O=C(N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000844182138 583258332 /nfs/dbraw/zinc/25/83/32/583258332.db2.gz FMIALMBXTSZQJK-MBNYWOFBSA-N 2 1 285.363 -0.254 20 0 CBADMP O=C(N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000844182139 583258356 /nfs/dbraw/zinc/25/83/56/583258356.db2.gz FMIALMBXTSZQJK-YRGRVCCFSA-N 2 1 285.363 -0.254 20 0 CBADMP CC[NH2+]CC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000844180649 583258450 /nfs/dbraw/zinc/25/84/50/583258450.db2.gz JEGNELUMXMJNRN-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CN1CC[NH+](CCCNC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844191308 583260093 /nfs/dbraw/zinc/26/00/93/583260093.db2.gz LHEVAITWJVOEOB-AWEZNQCLSA-N 2 1 298.431 -0.491 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000846674303 583382081 /nfs/dbraw/zinc/38/20/81/583382081.db2.gz WMDKFOBSWDPUCV-VHSXEESVSA-N 2 1 277.315 -0.050 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000846674303 583382083 /nfs/dbraw/zinc/38/20/83/583382083.db2.gz WMDKFOBSWDPUCV-VHSXEESVSA-N 2 1 277.315 -0.050 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846674475 583382158 /nfs/dbraw/zinc/38/21/58/583382158.db2.gz YZBMLYSFEJYXCR-JLNYLFASSA-N 2 1 295.383 -0.798 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846718146 583386023 /nfs/dbraw/zinc/38/60/23/583386023.db2.gz SVXKQVCYUFPBKA-DYEKYZERSA-N 2 1 267.373 -0.177 20 0 CBADMP [NH3+]CCN(CCO)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848605193 583451919 /nfs/dbraw/zinc/45/19/19/583451919.db2.gz KIXVFYYLJCYBGV-CHWSQXEVSA-N 2 1 284.404 -0.034 20 0 CBADMP [NH3+]CCN(CCO)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848605195 583451923 /nfs/dbraw/zinc/45/19/23/583451923.db2.gz KIXVFYYLJCYBGV-QWHCGFSZSA-N 2 1 284.404 -0.034 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848616413 583453235 /nfs/dbraw/zinc/45/32/35/583453235.db2.gz MGZDBLJRZGDTRB-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(C)=O ZINC000848981199 583463783 /nfs/dbraw/zinc/46/37/83/583463783.db2.gz AEMINMMTFFFPCO-LLVKDONJSA-N 2 1 255.366 -0.279 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCCO ZINC000848981000 583463794 /nfs/dbraw/zinc/46/37/94/583463794.db2.gz SFFKZFKULAZGOO-LLVKDONJSA-N 2 1 258.366 -0.406 20 0 CBADMP CN1CCC[NH+]=C1NCCC(=O)N1CC[NH+](C)CC1 ZINC000848986399 583464689 /nfs/dbraw/zinc/46/46/89/583464689.db2.gz NOLCPLYAKKRUDM-UHFFFAOYSA-N 2 1 267.377 -0.568 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)NC ZINC000848993500 583465038 /nfs/dbraw/zinc/46/50/38/583465038.db2.gz AQOOGZUEEGEHLU-SNVBAGLBSA-N 2 1 255.366 -0.279 20 0 CBADMP C[C@@H]1CN(C(=[NH2+])NCCN2CCC[N@@H+](C)CC2)CCO1 ZINC000848994162 583465364 /nfs/dbraw/zinc/46/53/64/583465364.db2.gz ZSWMLCGRAFBEBB-CYBMUJFWSA-N 2 1 283.420 -0.131 20 0 CBADMP COC[C@H](C)NC(=[NH2+])NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000849000523 583466440 /nfs/dbraw/zinc/46/64/40/583466440.db2.gz YWNMZYPRHUJWMW-NWDGAFQWSA-N 2 1 299.419 -0.277 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1C[NH+](C)CCN1C ZINC000849008012 583467360 /nfs/dbraw/zinc/46/73/60/583467360.db2.gz LRJZGMOZWLQRMF-KBPBESRZSA-N 3 1 296.463 -0.170 20 0 CBADMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C ZINC000849008012 583467362 /nfs/dbraw/zinc/46/73/62/583467362.db2.gz LRJZGMOZWLQRMF-KBPBESRZSA-N 3 1 296.463 -0.170 20 0 CBADMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000849008012 583467365 /nfs/dbraw/zinc/46/73/65/583467365.db2.gz LRJZGMOZWLQRMF-KBPBESRZSA-N 3 1 296.463 -0.170 20 0 CBADMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CN(C)CCN1C ZINC000849008012 583467369 /nfs/dbraw/zinc/46/73/69/583467369.db2.gz LRJZGMOZWLQRMF-KBPBESRZSA-N 2 1 296.463 -0.170 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CN(C)CCN1C ZINC000849008012 583467372 /nfs/dbraw/zinc/46/73/72/583467372.db2.gz LRJZGMOZWLQRMF-KBPBESRZSA-N 2 1 296.463 -0.170 20 0 CBADMP CCOCCCNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000849007978 583467532 /nfs/dbraw/zinc/46/75/32/583467532.db2.gz JRAFIHMFPCQIGL-LBPRGKRZSA-N 2 1 271.409 -0.227 20 0 CBADMP COCCNC(=[NH2+])NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000849026463 583469235 /nfs/dbraw/zinc/46/92/35/583469235.db2.gz CGBYZXKZFZDJDD-UHFFFAOYSA-N 2 1 271.409 -0.227 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC2=[NH+]CCCCN2)CC1 ZINC000849215720 583473875 /nfs/dbraw/zinc/47/38/75/583473875.db2.gz ZSGWNADNRKFGJC-UHFFFAOYSA-N 2 1 267.377 -0.521 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000852743201 583551335 /nfs/dbraw/zinc/55/13/35/583551335.db2.gz BBZDAMPGAXYEIV-NWDGAFQWSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000852743201 583551337 /nfs/dbraw/zinc/55/13/37/583551337.db2.gz BBZDAMPGAXYEIV-NWDGAFQWSA-N 2 1 283.372 -0.179 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852856290 583561477 /nfs/dbraw/zinc/56/14/77/583561477.db2.gz YBPBSOYJZBRNNP-VXGBXAGGSA-N 2 1 298.387 -0.437 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852860130 583562146 /nfs/dbraw/zinc/56/21/46/583562146.db2.gz KXMRKYBHEFZYPE-NXEZZACHSA-N 2 1 254.334 -0.452 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852863795 583563142 /nfs/dbraw/zinc/56/31/42/583563142.db2.gz IRHXLQNRCGKFJW-UHFFFAOYSA-N 2 1 255.362 -0.009 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)=NO1 ZINC000852863119 583563200 /nfs/dbraw/zinc/56/32/00/583563200.db2.gz QPLCMYYMZFSRKK-SCZZXKLOSA-N 2 1 252.318 -0.557 20 0 CBADMP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)=NO1 ZINC000852863118 583563368 /nfs/dbraw/zinc/56/33/68/583563368.db2.gz QPLCMYYMZFSRKK-PSASIEDQSA-N 2 1 252.318 -0.557 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000852864298 583563590 /nfs/dbraw/zinc/56/35/90/583563590.db2.gz RJOGELXTWSXJRT-VOAKCMCISA-N 2 1 283.372 -0.670 20 0 CBADMP C[C@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)[N@@H+](C)C1CC1 ZINC000852865164 583563916 /nfs/dbraw/zinc/56/39/16/583563916.db2.gz SVZNDBCIZQILNO-PSASIEDQSA-N 2 1 254.334 -0.311 20 0 CBADMP C[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)[N@@H+](C)C1CC1 ZINC000852865167 583564097 /nfs/dbraw/zinc/56/40/97/583564097.db2.gz SVZNDBCIZQILNO-WPRPVWTQSA-N 2 1 254.334 -0.311 20 0 CBADMP C[C@@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)[N@@H+](C)C1CC1 ZINC000852865166 583564129 /nfs/dbraw/zinc/56/41/29/583564129.db2.gz SVZNDBCIZQILNO-WCBMZHEXSA-N 2 1 254.334 -0.311 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852870540 583564758 /nfs/dbraw/zinc/56/47/58/583564758.db2.gz VQSKBMJETDQGPO-GHMZBOCLSA-N 2 1 268.361 -0.110 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000852872793 583565627 /nfs/dbraw/zinc/56/56/27/583565627.db2.gz RFZAMCYSNKKKJG-WCABBAIRSA-N 2 1 266.345 -0.169 20 0 CBADMP [NH3+]C[C@H]1CC(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)=NO1 ZINC000852877972 583566464 /nfs/dbraw/zinc/56/64/64/583566464.db2.gz KQCHQMVKKBHNPY-DGCLKSJQSA-N 2 1 289.339 -0.342 20 0 CBADMP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000852913673 583574031 /nfs/dbraw/zinc/57/40/31/583574031.db2.gz CJTHCXFOJAFWLS-KBPBESRZSA-N 2 1 296.415 -0.739 20 0 CBADMP O=C1OC[C@H]2C[N@@H+](C[C@H](O)C[NH+]3CCCC3)C[C@@H]12 ZINC000860158588 583739789 /nfs/dbraw/zinc/73/97/89/583739789.db2.gz PHXIEEPQLKVZBT-IJLUTSLNSA-N 2 1 254.330 -0.452 20 0 CBADMP O=C1OC[C@H]2C[N@H+](C[C@H](O)C[NH+]3CCCC3)C[C@@H]12 ZINC000860158588 583739792 /nfs/dbraw/zinc/73/97/92/583739792.db2.gz PHXIEEPQLKVZBT-IJLUTSLNSA-N 2 1 254.330 -0.452 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000861554025 583770327 /nfs/dbraw/zinc/77/03/27/583770327.db2.gz JKIRUQXRJNAUFN-LLVKDONJSA-N 2 1 285.392 -0.861 20 0 CBADMP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861574849 583771276 /nfs/dbraw/zinc/77/12/76/583771276.db2.gz ZBTZDCKSLPNYPC-UPJWGTAASA-N 2 1 298.387 -0.863 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861574832 583771388 /nfs/dbraw/zinc/77/13/88/583771388.db2.gz ZAXZNNXLVFMLGE-QNWHQSFQSA-N 2 1 282.388 -0.101 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861585187 583771666 /nfs/dbraw/zinc/77/16/66/583771666.db2.gz BLBSBKCEBDVONF-MNOVXSKESA-N 2 1 258.366 -0.304 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000861592581 583771897 /nfs/dbraw/zinc/77/18/97/583771897.db2.gz NRUBCQVILHDEJF-QWHCGFSZSA-N 2 1 285.436 -0.142 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000861647050 583775468 /nfs/dbraw/zinc/77/54/68/583775468.db2.gz ZKCATNMSHGRJJE-ZJUUUORDSA-N 2 1 292.330 -0.651 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000861730035 583782019 /nfs/dbraw/zinc/78/20/19/583782019.db2.gz JTFJKHHKCTYPPP-QWRGUYRKSA-N 2 1 296.371 -0.196 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000861742851 583783070 /nfs/dbraw/zinc/78/30/70/583783070.db2.gz MFOAVTRZAADVPD-NXEZZACHSA-N 2 1 268.361 -0.855 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000861752268 583784073 /nfs/dbraw/zinc/78/40/73/583784073.db2.gz DJBAVYSBCBSIOP-JBLDHEPKSA-N 2 1 282.388 -0.609 20 0 CBADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861754985 583784597 /nfs/dbraw/zinc/78/45/97/583784597.db2.gz RGOAWEYAVOEJOJ-LLVKDONJSA-N 2 1 295.387 -0.106 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861759648 583784705 /nfs/dbraw/zinc/78/47/05/583784705.db2.gz OANNGAMKWNBDAI-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861759649 583784838 /nfs/dbraw/zinc/78/48/38/583784838.db2.gz OANNGAMKWNBDAI-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000861763372 583785011 /nfs/dbraw/zinc/78/50/11/583785011.db2.gz WGVFGVGOLIHSHQ-MNOVXSKESA-N 2 1 282.388 -0.441 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000861769753 583785312 /nfs/dbraw/zinc/78/53/12/583785312.db2.gz CFNGMDZYJORVQI-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000861769756 583785687 /nfs/dbraw/zinc/78/56/87/583785687.db2.gz CFNGMDZYJORVQI-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549856 583846263 /nfs/dbraw/zinc/84/62/63/583846263.db2.gz SGADVTRAVARPTN-NEPJUHHUSA-N 2 1 296.371 -0.668 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000863552126 583846360 /nfs/dbraw/zinc/84/63/60/583846360.db2.gz PCQRGCGIVBFRQJ-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+](CCOCC[NH3+])CC(=O)NCc1ccccn1 ZINC000863554530 583846707 /nfs/dbraw/zinc/84/67/07/583846707.db2.gz BJAQWBGFBJAEIO-UHFFFAOYSA-N 2 1 266.345 -0.395 20 0 CBADMP C[N@@H+](CCOCC[NH3+])CC(=O)NCc1ccccn1 ZINC000863554530 583846709 /nfs/dbraw/zinc/84/67/09/583846709.db2.gz BJAQWBGFBJAEIO-UHFFFAOYSA-N 2 1 266.345 -0.395 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000863761873 583854343 /nfs/dbraw/zinc/85/43/43/583854343.db2.gz RXMXNHLTEHRDJX-UTUOFQBUSA-N 2 1 282.388 -0.513 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C[C@@H]1C ZINC000863761124 583854358 /nfs/dbraw/zinc/85/43/58/583854358.db2.gz UCSFGHGYMXOSCR-SRVKXCTJSA-N 2 1 284.404 -0.267 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C[C@@H]1C ZINC000863761124 583854359 /nfs/dbraw/zinc/85/43/59/583854359.db2.gz UCSFGHGYMXOSCR-SRVKXCTJSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863761271 583854408 /nfs/dbraw/zinc/85/44/08/583854408.db2.gz VXQBNIHAYWQFHP-VXGBXAGGSA-N 2 1 284.404 -0.409 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863761271 583854410 /nfs/dbraw/zinc/85/44/10/583854410.db2.gz VXQBNIHAYWQFHP-VXGBXAGGSA-N 2 1 284.404 -0.409 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000863768405 583855240 /nfs/dbraw/zinc/85/52/40/583855240.db2.gz OJZKDUIPBMBNLY-XQQFMLRXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000863774106 583855889 /nfs/dbraw/zinc/85/58/89/583855889.db2.gz PMIUBWUBZQYIOK-WFASDCNBSA-N 2 1 296.415 -0.264 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC000863858284 583860229 /nfs/dbraw/zinc/86/02/29/583860229.db2.gz SBRCAUUHBWHZLB-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000863858284 583860232 /nfs/dbraw/zinc/86/02/32/583860232.db2.gz SBRCAUUHBWHZLB-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]([NH3+])Cn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000864632954 583885168 /nfs/dbraw/zinc/88/51/68/583885168.db2.gz UXCRWJULQITGRR-LLVKDONJSA-N 2 1 253.350 -0.110 20 0 CBADMP C[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)CCC1(C)C ZINC000866112664 583916542 /nfs/dbraw/zinc/91/65/42/583916542.db2.gz ICXQGKDIOGHOFM-UHFFFAOYSA-N 2 1 251.338 -0.044 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000866664535 583926250 /nfs/dbraw/zinc/92/62/50/583926250.db2.gz FSOPPKBUWFBMSS-GFCCVEGCSA-N 2 1 250.350 -0.172 20 0 CBADMP Cn1nnnc1CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000866664535 583926251 /nfs/dbraw/zinc/92/62/51/583926251.db2.gz FSOPPKBUWFBMSS-GFCCVEGCSA-N 2 1 250.350 -0.172 20 0 CBADMP CCOCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707637 583927798 /nfs/dbraw/zinc/92/77/98/583927798.db2.gz JAJLWZHZWKOWCQ-TUAOUCFPSA-N 2 1 269.345 -0.110 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(CCC(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703168 583927806 /nfs/dbraw/zinc/92/78/06/583927806.db2.gz GEXAFMAKZSYIAG-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C[C@H]2C1=O ZINC000866702208 583927836 /nfs/dbraw/zinc/92/78/36/583927836.db2.gz XHGDSMOFHBDOAA-MXWKQRLJSA-N 2 1 279.340 -0.946 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C[C@H]2C1=O ZINC000866702207 583927889 /nfs/dbraw/zinc/92/78/89/583927889.db2.gz XHGDSMOFHBDOAA-GARJFASQSA-N 2 1 279.340 -0.946 20 0 CBADMP COCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708049 583927900 /nfs/dbraw/zinc/92/79/00/583927900.db2.gz MORWCCWIMYIQJW-AXFHLTTASA-N 2 1 255.318 -0.500 20 0 CBADMP COCCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711287 583928066 /nfs/dbraw/zinc/92/80/66/583928066.db2.gz HBHQGRXCYDYOSF-TUAOUCFPSA-N 2 1 269.345 -0.110 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000866709619 583928138 /nfs/dbraw/zinc/92/81/38/583928138.db2.gz SRQCRXPFLNUWJM-MROQNXINSA-N 3 1 280.372 -0.537 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000866709619 583928139 /nfs/dbraw/zinc/92/81/39/583928139.db2.gz SRQCRXPFLNUWJM-MROQNXINSA-N 3 1 280.372 -0.537 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000866709623 583928147 /nfs/dbraw/zinc/92/81/47/583928147.db2.gz SRQCRXPFLNUWJM-ZDEQEGDKSA-N 3 1 280.372 -0.537 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000866709623 583928149 /nfs/dbraw/zinc/92/81/49/583928149.db2.gz SRQCRXPFLNUWJM-ZDEQEGDKSA-N 3 1 280.372 -0.537 20 0 CBADMP CN1CC[C@H]([N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866712505 583928305 /nfs/dbraw/zinc/92/83/05/583928305.db2.gz UWJVNZFGPACFFK-YFKTTZPYSA-N 2 1 294.355 -0.916 20 0 CBADMP CN1CC[C@H]([N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866712505 583928306 /nfs/dbraw/zinc/92/83/06/583928306.db2.gz UWJVNZFGPACFFK-YFKTTZPYSA-N 2 1 294.355 -0.916 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)[C@H]12 ZINC000866717909 583928635 /nfs/dbraw/zinc/92/86/35/583928635.db2.gz TZTTZYAGNZOKRU-XQQFMLRXSA-N 2 1 267.373 -0.035 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000866726325 583929169 /nfs/dbraw/zinc/92/91/69/583929169.db2.gz YSVSZZAWJYBBHK-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[NH2+]CC3)CC[C@H]21 ZINC000868386687 583976625 /nfs/dbraw/zinc/97/66/25/583976625.db2.gz KNAUPMUFLXFSBC-CHWSQXEVSA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000868388219 583976703 /nfs/dbraw/zinc/97/67/03/583976703.db2.gz XAGAGOWKFGQUFI-UPJWGTAASA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC[C@H]21 ZINC000868386794 583976709 /nfs/dbraw/zinc/97/67/09/583976709.db2.gz JDDUBWURVFHSTM-FRRDWIJNSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC[NH2+]1 ZINC000868389229 583976891 /nfs/dbraw/zinc/97/68/91/583976891.db2.gz NZZQZHDQEQXGFM-RWMBFGLXSA-N 2 1 294.399 -0.641 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC[NH2+]1 ZINC000868389232 583976971 /nfs/dbraw/zinc/97/69/71/583976971.db2.gz NZZQZHDQEQXGFM-YNEHKIRRSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868392137 583977075 /nfs/dbraw/zinc/97/70/75/583977075.db2.gz SVXMOUKJFKPMJQ-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP 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 583977263 /nfs/dbraw/zinc/97/72/63/583977263.db2.gz AYRPGJRQKZNHJU-ZDEQEGDKSA-N 2 1 292.383 -0.888 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868395138 583977366 /nfs/dbraw/zinc/97/73/66/583977366.db2.gz HBDOOLURMLLEIX-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868410124 583978191 /nfs/dbraw/zinc/97/81/91/583978191.db2.gz JILNXAFKBUGKOQ-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000869780621 584004380 /nfs/dbraw/zinc/00/43/80/584004380.db2.gz MQPFFHCYPRERCY-STQMWFEESA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000869780621 584004381 /nfs/dbraw/zinc/00/43/81/584004381.db2.gz MQPFFHCYPRERCY-STQMWFEESA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000869780621 584004383 /nfs/dbraw/zinc/00/43/83/584004383.db2.gz MQPFFHCYPRERCY-STQMWFEESA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000869780621 584004385 /nfs/dbraw/zinc/00/43/85/584004385.db2.gz MQPFFHCYPRERCY-STQMWFEESA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)CC[C@H]21 ZINC000870981047 584024015 /nfs/dbraw/zinc/02/40/15/584024015.db2.gz FLVJNHFFZJPMDC-FRRDWIJNSA-N 2 1 267.373 -0.083 20 0 CBADMP COCCN(C)C(=[NH2+])NCCC[N@H+](C)CCN(C)C ZINC000871605511 584043700 /nfs/dbraw/zinc/04/37/00/584043700.db2.gz GIDKFOPSWWMKAE-UHFFFAOYSA-N 2 1 273.425 -0.028 20 0 CBADMP COCCN(C)C(=[NH2+])NCCC[N@@H+](C)CCN(C)C ZINC000871605511 584043701 /nfs/dbraw/zinc/04/37/01/584043701.db2.gz GIDKFOPSWWMKAE-UHFFFAOYSA-N 2 1 273.425 -0.028 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000871815272 584046206 /nfs/dbraw/zinc/04/62/06/584046206.db2.gz DPGVKILMYNRFOX-NWDGAFQWSA-N 2 1 287.429 -0.048 20 0 CBADMP CC(C)(O)C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000872213449 584050488 /nfs/dbraw/zinc/05/04/88/584050488.db2.gz OPSMTAULQJZSIR-CHWSQXEVSA-N 2 1 274.405 -0.055 20 0 CBADMP C[C@H](O)[C@@H](O)CNC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000872225378 584051042 /nfs/dbraw/zinc/05/10/42/584051042.db2.gz JGJXZXPJOWIDJH-CFVMTHIKSA-N 2 1 282.384 -0.189 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@]12COC(=O)N1CCOC2)C1CC1 ZINC000872229440 584051656 /nfs/dbraw/zinc/05/16/56/584051656.db2.gz QTZITQJNXDXPLP-TZMCWYRMSA-N 2 1 299.371 -0.748 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@]12COC(=O)N1CCOC2)C1CC1 ZINC000872229440 584051658 /nfs/dbraw/zinc/05/16/58/584051658.db2.gz QTZITQJNXDXPLP-TZMCWYRMSA-N 2 1 299.371 -0.748 20 0 CBADMP C[C@@]1(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]C1 ZINC000872257790 584052302 /nfs/dbraw/zinc/05/23/02/584052302.db2.gz XACNRVNHNVQJMT-SFDCQRBFSA-N 3 1 294.399 -0.147 20 0 CBADMP C[C@@]1(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]C1 ZINC000872257790 584052304 /nfs/dbraw/zinc/05/23/04/584052304.db2.gz XACNRVNHNVQJMT-SFDCQRBFSA-N 3 1 294.399 -0.147 20 0 CBADMP [NH3+]CC1(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000872257865 584052398 /nfs/dbraw/zinc/05/23/98/584052398.db2.gz ZPJRGDOKAQWAOK-UTUOFQBUSA-N 3 1 280.372 -0.408 20 0 CBADMP [NH3+]CC1(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000872257865 584052399 /nfs/dbraw/zinc/05/23/99/584052399.db2.gz ZPJRGDOKAQWAOK-UTUOFQBUSA-N 3 1 280.372 -0.408 20 0 CBADMP Cn1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(=O)n(C)c1=O ZINC000873227609 584068935 /nfs/dbraw/zinc/06/89/35/584068935.db2.gz JXLXLCZYYAXJQD-SMDDNHRTSA-N 2 1 278.356 -0.875 20 0 CBADMP Cn1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(=O)n(C)c1=O ZINC000873227609 584068936 /nfs/dbraw/zinc/06/89/36/584068936.db2.gz JXLXLCZYYAXJQD-SMDDNHRTSA-N 2 1 278.356 -0.875 20 0 CBADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000873220356 584068943 /nfs/dbraw/zinc/06/89/43/584068943.db2.gz SXUCCLIUDCLXGI-MXWKQRLJSA-N 2 1 253.346 -0.094 20 0 CBADMP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000873220356 584068945 /nfs/dbraw/zinc/06/89/45/584068945.db2.gz SXUCCLIUDCLXGI-MXWKQRLJSA-N 2 1 253.346 -0.094 20 0 CBADMP NC(=O)C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC000873892750 584075114 /nfs/dbraw/zinc/07/51/14/584075114.db2.gz KFGATTYSIMCYNV-UHFFFAOYSA-N 2 1 268.361 -0.852 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000874430845 584083820 /nfs/dbraw/zinc/08/38/20/584083820.db2.gz OPTLWFDDLSKMNB-HAQNSBGRSA-N 2 1 270.377 -0.255 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000874443562 584084300 /nfs/dbraw/zinc/08/43/00/584084300.db2.gz NSYXQXQDEQJLJE-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC000874456426 584084966 /nfs/dbraw/zinc/08/49/66/584084966.db2.gz BEJOFNGOJNSNJV-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)[NH+]1CCOCC1 ZINC000876716229 584140700 /nfs/dbraw/zinc/14/07/00/584140700.db2.gz DTBOBDJFQNEFHU-STQMWFEESA-N 2 1 286.420 -0.652 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876723625 584140967 /nfs/dbraw/zinc/14/09/67/584140967.db2.gz VTCZNYDSAALUKR-RYUDHWBXSA-N 2 1 256.394 -0.134 20 0 CBADMP COC[C@]1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C[NH2+]CCO1 ZINC000876729554 584141326 /nfs/dbraw/zinc/14/13/26/584141326.db2.gz QOGQBKKKGJVWTF-YDHLFZDLSA-N 2 1 297.399 -0.266 20 0 CBADMP COC[C@]1(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)C[NH2+]CCO1 ZINC000876733789 584141626 /nfs/dbraw/zinc/14/16/26/584141626.db2.gz HRUWFLMWDXHMLY-HIFRSBDPSA-N 2 1 299.415 -0.162 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876744937 584141959 /nfs/dbraw/zinc/14/19/59/584141959.db2.gz HTTKOUSIDYXMKW-GHMZBOCLSA-N 2 1 261.341 -0.372 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876749598 584142494 /nfs/dbraw/zinc/14/24/94/584142494.db2.gz ALGWZHBOJUMFAI-NEPJUHHUSA-N 2 1 256.394 -0.134 20 0 CBADMP COC[C@]1(C(=O)NCC[N@@H+](C)C2CCCC2)C[NH2+]CCO1 ZINC000876756185 584142791 /nfs/dbraw/zinc/14/27/91/584142791.db2.gz QAZKEJVOTCXJKL-HNNXBMFYSA-N 2 1 299.415 -0.018 20 0 CBADMP COC[C@@]1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876755166 584142894 /nfs/dbraw/zinc/14/28/94/584142894.db2.gz SBTNSUNOVJWDFA-UKRRQHHQSA-N 2 1 297.399 -0.314 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876762218 584143221 /nfs/dbraw/zinc/14/32/21/584143221.db2.gz CMGGQEHUOMCNSH-OLZOCXBDSA-N 2 1 270.421 -0.031 20 0 CBADMP C[C@H]1C[C@@H](N(C)C(=O)[C@@H](N)C[NH+](C)C)CC[N@H+]1C ZINC000876772698 584143736 /nfs/dbraw/zinc/14/37/36/584143736.db2.gz RAOXUJABDSDGCN-SRVKXCTJSA-N 2 1 256.394 -0.184 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876782522 584144192 /nfs/dbraw/zinc/14/41/92/584144192.db2.gz QLDYHLNCVRDLKT-USWWRNFRSA-N 2 1 254.378 -0.526 20 0 CBADMP C[C@H]1C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C[N@H+]1C1CC1 ZINC000876779606 584144261 /nfs/dbraw/zinc/14/42/61/584144261.db2.gz AAYWCFINLRDBQS-NHCYSSNCSA-N 2 1 254.378 -0.383 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876784085 584144507 /nfs/dbraw/zinc/14/45/07/584144507.db2.gz WKRISQISEIZFQB-MEWZEZIVSA-N 2 1 280.416 -0.096 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000876884677 584153066 /nfs/dbraw/zinc/15/30/66/584153066.db2.gz RONNFFCTRZKIAH-SRVKXCTJSA-N 2 1 256.394 -0.326 20 0 CBADMP C[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876953160 584157758 /nfs/dbraw/zinc/15/77/58/584157758.db2.gz ZOTXMRUGUOBKRN-RVMXOQNASA-N 2 1 286.420 -0.511 20 0 CBADMP C[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876953160 584157760 /nfs/dbraw/zinc/15/77/60/584157760.db2.gz ZOTXMRUGUOBKRN-RVMXOQNASA-N 2 1 286.420 -0.511 20 0 CBADMP COC[C@@]1(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C[NH2+]CCO1 ZINC000876959209 584158354 /nfs/dbraw/zinc/15/83/54/584158354.db2.gz QADVGWLMUKYEDN-IUODEOHRSA-N 2 1 299.415 -0.020 20 0 CBADMP COC[C@]1(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)C[NH2+]CCO1 ZINC000877250109 584172615 /nfs/dbraw/zinc/17/26/15/584172615.db2.gz NJFWPZMJSWBRJS-IPYPFGDCSA-N 2 1 297.399 -0.456 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877250958 584172677 /nfs/dbraw/zinc/17/26/77/584172677.db2.gz UZRGNTNTUSPQKW-GRYCIOLGSA-N 2 1 254.378 -0.572 20 0 CBADMP C[C@@H](C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)N1CC[NH+](C)CC1 ZINC000877373772 584179932 /nfs/dbraw/zinc/17/99/32/584179932.db2.gz IOYACWTWARAODK-KCQAQPDRSA-N 2 1 280.416 -0.310 20 0 CBADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1C[NH2+]CCO1 ZINC000877451526 584182262 /nfs/dbraw/zinc/18/22/62/584182262.db2.gz QDHVKCXCVVUIOK-GRYCIOLGSA-N 2 1 253.346 -0.330 20 0 CBADMP COC(=O)[C@H](C)C[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000877969639 584189154 /nfs/dbraw/zinc/18/91/54/584189154.db2.gz AUHUGGHUBYRAIM-LLVKDONJSA-N 2 1 285.388 -0.062 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000878288063 584198289 /nfs/dbraw/zinc/19/82/89/584198289.db2.gz NLOJVWDNTDXODT-JHJVBQTASA-N 2 1 294.403 -0.064 20 0 CBADMP Cn1nnnc1CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000878288063 584198290 /nfs/dbraw/zinc/19/82/90/584198290.db2.gz NLOJVWDNTDXODT-JHJVBQTASA-N 2 1 294.403 -0.064 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000878288064 584198450 /nfs/dbraw/zinc/19/84/50/584198450.db2.gz NLOJVWDNTDXODT-UPJWGTAASA-N 2 1 294.403 -0.064 20 0 CBADMP Cn1nnnc1CC[N@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000878288064 584198451 /nfs/dbraw/zinc/19/84/51/584198451.db2.gz NLOJVWDNTDXODT-UPJWGTAASA-N 2 1 294.403 -0.064 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCn1cnnn1 ZINC000878288433 584198480 /nfs/dbraw/zinc/19/84/80/584198480.db2.gz WQDGSPUFQRABHM-UPJWGTAASA-N 2 1 280.376 -0.143 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCn1cnnn1 ZINC000878288433 584198482 /nfs/dbraw/zinc/19/84/82/584198482.db2.gz WQDGSPUFQRABHM-UPJWGTAASA-N 2 1 280.376 -0.143 20 0 CBADMP Cn1nnnc1CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000878318029 584199350 /nfs/dbraw/zinc/19/93/50/584199350.db2.gz XPOOWPJYGCXMQR-UHFFFAOYSA-N 2 1 281.408 -0.678 20 0 CBADMP C[C@H]1C[N@H+](CCn2cnnn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878324963 584199747 /nfs/dbraw/zinc/19/97/47/584199747.db2.gz PPAAOAYGQUJLCG-UONOGXRCSA-N 2 1 293.419 -0.369 20 0 CBADMP C[C@H]1C[N@@H+](CCn2cnnn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878324963 584199749 /nfs/dbraw/zinc/19/97/49/584199749.db2.gz PPAAOAYGQUJLCG-UONOGXRCSA-N 2 1 293.419 -0.369 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)[C@H]1CO ZINC000878485177 584205392 /nfs/dbraw/zinc/20/53/92/584205392.db2.gz IZXFHYORZZHHMZ-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000878532631 584206951 /nfs/dbraw/zinc/20/69/51/584206951.db2.gz UYHHHAXMWRUTFK-GFCCVEGCSA-N 2 1 269.389 -0.101 20 0 CBADMP CN(CCC[N@@H+](C)CCc1nnnn1C)CC[NH+](C)C ZINC000878623564 584210811 /nfs/dbraw/zinc/21/08/11/584210811.db2.gz QWPAWQXJRLPJAF-UHFFFAOYSA-N 2 1 283.424 -0.432 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC3(COC3)C2)CC1 ZINC000878991118 584223061 /nfs/dbraw/zinc/22/30/61/584223061.db2.gz FSGRQVZEIODAJP-UHFFFAOYSA-N 2 1 267.373 -0.081 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535070 584239038 /nfs/dbraw/zinc/23/90/38/584239038.db2.gz FNRUHRNTFHZZQH-SDDRHHMPSA-N 2 1 283.372 -0.766 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535070 584239039 /nfs/dbraw/zinc/23/90/39/584239039.db2.gz FNRUHRNTFHZZQH-SDDRHHMPSA-N 2 1 283.372 -0.766 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535070 584239040 /nfs/dbraw/zinc/23/90/40/584239040.db2.gz FNRUHRNTFHZZQH-SDDRHHMPSA-N 2 1 283.372 -0.766 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535070 584239041 /nfs/dbraw/zinc/23/90/41/584239041.db2.gz FNRUHRNTFHZZQH-SDDRHHMPSA-N 2 1 283.372 -0.766 20 0 CBADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCS(N)(=O)=O)CC[C@@H]21 ZINC000879573060 584241123 /nfs/dbraw/zinc/24/11/23/584241123.db2.gz LPCURDLVENJPRK-MNOVXSKESA-N 2 1 261.391 -0.309 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CCCS(N)(=O)=O)CC[C@@H]21 ZINC000879573060 584241124 /nfs/dbraw/zinc/24/11/24/584241124.db2.gz LPCURDLVENJPRK-MNOVXSKESA-N 2 1 261.391 -0.309 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CCCS(N)(=O)=O)CC[C@@H]21 ZINC000879573060 584241125 /nfs/dbraw/zinc/24/11/25/584241125.db2.gz LPCURDLVENJPRK-MNOVXSKESA-N 2 1 261.391 -0.309 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCS(N)(=O)=O)CC[C@@H]21 ZINC000879573060 584241126 /nfs/dbraw/zinc/24/11/26/584241126.db2.gz LPCURDLVENJPRK-MNOVXSKESA-N 2 1 261.391 -0.309 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CCCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879574007 584241223 /nfs/dbraw/zinc/24/12/23/584241223.db2.gz VQGTUMWRXQQLHL-MNOVXSKESA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CCCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879574007 584241225 /nfs/dbraw/zinc/24/12/25/584241225.db2.gz VQGTUMWRXQQLHL-MNOVXSKESA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879574007 584241228 /nfs/dbraw/zinc/24/12/28/584241228.db2.gz VQGTUMWRXQQLHL-MNOVXSKESA-N 2 1 268.361 -0.013 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580329 584241754 /nfs/dbraw/zinc/24/17/54/584241754.db2.gz SNQXOZQYBLCZPE-SOUVJXGZSA-N 2 1 285.432 -0.049 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580329 584241756 /nfs/dbraw/zinc/24/17/56/584241756.db2.gz SNQXOZQYBLCZPE-SOUVJXGZSA-N 2 1 285.432 -0.049 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580329 584241757 /nfs/dbraw/zinc/24/17/57/584241757.db2.gz SNQXOZQYBLCZPE-SOUVJXGZSA-N 2 1 285.432 -0.049 20 0 CBADMP CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000880309453 584268816 /nfs/dbraw/zinc/26/88/16/584268816.db2.gz WZQJYBXUUVLIPA-ZNMIVQPWSA-N 2 1 281.400 -0.147 20 0 CBADMP CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000880309453 584268819 /nfs/dbraw/zinc/26/88/19/584268819.db2.gz WZQJYBXUUVLIPA-ZNMIVQPWSA-N 2 1 281.400 -0.147 20 0 CBADMP CN(C)c1ccnc(NCC[N@@H+](C)CCOCCO)n1 ZINC000882951426 584334755 /nfs/dbraw/zinc/33/47/55/584334755.db2.gz DFLURYTXHMXUPV-UHFFFAOYSA-N 2 1 283.376 -0.105 20 0 CBADMP O=C1NCC[C@@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)[C@@H]12 ZINC000883462324 584343217 /nfs/dbraw/zinc/34/32/17/584343217.db2.gz OHZYPAPVUNOWBD-QWHCGFSZSA-N 2 1 266.389 -0.508 20 0 CBADMP O=C(CC[N@H+]1CCc2ncncc2C1)N1CC[NH2+]CC1 ZINC000883462475 584343594 /nfs/dbraw/zinc/34/35/94/584343594.db2.gz RTMMHXKAOKQNES-UHFFFAOYSA-N 2 1 275.356 -0.343 20 0 CBADMP COCC[C@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000884206309 584366805 /nfs/dbraw/zinc/36/68/05/584366805.db2.gz RKWHKOJGIXNPNB-RYUDHWBXSA-N 2 1 273.377 -0.565 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000884211403 584367335 /nfs/dbraw/zinc/36/73/35/584367335.db2.gz CKBNYJWOYPPYRP-TUAOUCFPSA-N 2 1 271.361 -0.982 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884253785 584370464 /nfs/dbraw/zinc/37/04/64/584370464.db2.gz UNSAJFHFLCUDGC-UHFFFAOYSA-N 2 1 299.325 -0.185 20 0 CBADMP [NH3+][C@@H](CC1CC1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000884319935 584374067 /nfs/dbraw/zinc/37/40/67/584374067.db2.gz HDQABQCZVJHQBS-LBPRGKRZSA-N 2 1 255.362 -0.048 20 0 CBADMP [NH3+][C@@H](CC1CC1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000884319935 584374068 /nfs/dbraw/zinc/37/40/68/584374068.db2.gz HDQABQCZVJHQBS-LBPRGKRZSA-N 2 1 255.362 -0.048 20 0 CBADMP C[C@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C)N1CC[NH+](C)CC1 ZINC000884360386 584376520 /nfs/dbraw/zinc/37/65/20/584376520.db2.gz ZHQNGDLUKWETQG-UTUOFQBUSA-N 2 1 268.405 -0.136 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884508508 584385820 /nfs/dbraw/zinc/38/58/20/584385820.db2.gz GTVCNCAIOURJCP-PWSUYJOCSA-N 2 1 293.371 -0.354 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884508741 584385842 /nfs/dbraw/zinc/38/58/42/584385842.db2.gz NTBWYUOHPATTIS-RYUDHWBXSA-N 2 1 291.355 -0.729 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)C1CC1 ZINC000884601526 584389657 /nfs/dbraw/zinc/38/96/57/584389657.db2.gz NYNHXTGTZMNQIR-GHMZBOCLSA-N 2 1 282.388 -0.465 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884601743 584389676 /nfs/dbraw/zinc/38/96/76/584389676.db2.gz UQPJEQYFPPRFPA-SDDRHHMPSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000884601306 584389738 /nfs/dbraw/zinc/38/97/38/584389738.db2.gz HJUVVAWLYJYWSZ-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP CCN(C(=O)C(=O)NCC[N@@H+](CC)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000884601215 584389747 /nfs/dbraw/zinc/38/97/47/584389747.db2.gz DVSWEDFLLJNDBJ-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[N@@H+](C)C1CC1 ZINC000884616784 584391040 /nfs/dbraw/zinc/39/10/40/584391040.db2.gz BRWFWNGAWYQFGT-SCVCMEIPSA-N 2 1 280.372 -0.842 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000884617520 584391242 /nfs/dbraw/zinc/39/12/42/584391242.db2.gz NKSUEWPVQLEXRL-GRYCIOLGSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@H](NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000884623727 584391466 /nfs/dbraw/zinc/39/14/66/584391466.db2.gz MPSYAHJJNMSTPV-MDZLAQPJSA-N 2 1 294.399 -0.299 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000884627409 584391633 /nfs/dbraw/zinc/39/16/33/584391633.db2.gz OYOUTNXKIGMMQE-DGCLKSJQSA-N 2 1 294.399 -0.463 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884627410 584391668 /nfs/dbraw/zinc/39/16/68/584391668.db2.gz OYOUTNXKIGMMQE-WCQYABFASA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000884627598 584391980 /nfs/dbraw/zinc/39/19/80/584391980.db2.gz VQTAUMLGGQSTDF-IJLUTSLNSA-N 2 1 294.399 -0.465 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884669805 584393737 /nfs/dbraw/zinc/39/37/37/584393737.db2.gz HMPKVGKZKOUYMF-CYDGBPFRSA-N 2 1 292.383 -0.698 20 0 CBADMP CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000884669694 584393767 /nfs/dbraw/zinc/39/37/67/584393767.db2.gz DFHUGBXOAHSSKL-RYUDHWBXSA-N 2 1 296.415 -0.027 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NCCC[NH3+])CC1(C)C ZINC000884673853 584394505 /nfs/dbraw/zinc/39/45/05/584394505.db2.gz HOMISXNSKXCZIW-UHFFFAOYSA-N 2 1 256.350 -0.996 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCCC[NH3+])CC1(C)C ZINC000884673853 584394506 /nfs/dbraw/zinc/39/45/06/584394506.db2.gz HOMISXNSKXCZIW-UHFFFAOYSA-N 2 1 256.350 -0.996 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCC1(C)C ZINC000884677798 584395148 /nfs/dbraw/zinc/39/51/48/584395148.db2.gz DTZAQZIIYTZFDE-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000884678320 584395157 /nfs/dbraw/zinc/39/51/57/584395157.db2.gz WYXAWPXKWCIXBD-IJLUTSLNSA-N 2 1 280.372 -0.983 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884687664 584396612 /nfs/dbraw/zinc/39/66/12/584396612.db2.gz DHKYVGDPTSKUJT-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCC1(C)C ZINC000884689085 584397075 /nfs/dbraw/zinc/39/70/75/584397075.db2.gz YJODPGAZHAOKAE-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1(C)C ZINC000884691782 584397377 /nfs/dbraw/zinc/39/73/77/584397377.db2.gz RVALOJGUDPNZIP-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1(C)C ZINC000884691782 584397380 /nfs/dbraw/zinc/39/73/80/584397380.db2.gz RVALOJGUDPNZIP-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884704689 584399138 /nfs/dbraw/zinc/39/91/38/584399138.db2.gz PFJVQKYSFISWNM-VWYCJHECSA-N 2 1 268.361 -0.998 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884705317 584399430 /nfs/dbraw/zinc/39/94/30/584399430.db2.gz PFJVQKYSFISWNM-AXFHLTTASA-N 2 1 268.361 -0.998 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC1(C)C ZINC000884715923 584400107 /nfs/dbraw/zinc/40/01/07/584400107.db2.gz IBCPCHWSTKNFHZ-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC1(C)C ZINC000884715923 584400109 /nfs/dbraw/zinc/40/01/09/584400109.db2.gz IBCPCHWSTKNFHZ-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884729210 584401020 /nfs/dbraw/zinc/40/10/20/584401020.db2.gz KMOARLMMPYVJDW-ZDEQEGDKSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884729208 584401094 /nfs/dbraw/zinc/40/10/94/584401094.db2.gz KMOARLMMPYVJDW-RVMXOQNASA-N 2 1 296.415 -0.219 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000884779416 584402256 /nfs/dbraw/zinc/40/22/56/584402256.db2.gz WYXAWPXKWCIXBD-SRVKXCTJSA-N 2 1 280.372 -0.983 20 0 CBADMP C[N@H+](CCO)CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000885804405 584427019 /nfs/dbraw/zinc/42/70/19/584427019.db2.gz KYGWZWQHLJSQPL-UHFFFAOYSA-N 2 1 293.433 -0.684 20 0 CBADMP C[N@@H+](CCO)CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000885804405 584427021 /nfs/dbraw/zinc/42/70/21/584427021.db2.gz KYGWZWQHLJSQPL-UHFFFAOYSA-N 2 1 293.433 -0.684 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000885872956 584429365 /nfs/dbraw/zinc/42/93/65/584429365.db2.gz NALQDRBQJUAIIB-UONOGXRCSA-N 2 1 297.399 -0.314 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000885872956 584429368 /nfs/dbraw/zinc/42/93/68/584429368.db2.gz NALQDRBQJUAIIB-UONOGXRCSA-N 2 1 297.399 -0.314 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000885872956 584429370 /nfs/dbraw/zinc/42/93/70/584429370.db2.gz NALQDRBQJUAIIB-UONOGXRCSA-N 2 1 297.399 -0.314 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000885872956 584429371 /nfs/dbraw/zinc/42/93/71/584429371.db2.gz NALQDRBQJUAIIB-UONOGXRCSA-N 2 1 297.399 -0.314 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCn3nncc3C2)CC1 ZINC000886463161 584440121 /nfs/dbraw/zinc/44/01/21/584440121.db2.gz RIZHUZJZDWFRFE-UHFFFAOYSA-N 2 1 292.387 -0.352 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCn3nncc3C2)CC1 ZINC000886463161 584440124 /nfs/dbraw/zinc/44/01/24/584440124.db2.gz RIZHUZJZDWFRFE-UHFFFAOYSA-N 2 1 292.387 -0.352 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000886590564 584443870 /nfs/dbraw/zinc/44/38/70/584443870.db2.gz YQTMVAOOPUMOQN-NTZNESFSSA-N 2 1 256.346 -0.016 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000886590564 584443872 /nfs/dbraw/zinc/44/38/72/584443872.db2.gz YQTMVAOOPUMOQN-NTZNESFSSA-N 2 1 256.346 -0.016 20 0 CBADMP COC(=O)N[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000886854247 584448301 /nfs/dbraw/zinc/44/83/01/584448301.db2.gz GVGQEOLINHXZIV-LBPRGKRZSA-N 2 1 298.387 -0.419 20 0 CBADMP COC(=O)N[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000886854247 584448303 /nfs/dbraw/zinc/44/83/03/584448303.db2.gz GVGQEOLINHXZIV-LBPRGKRZSA-N 2 1 298.387 -0.419 20 0 CBADMP CCN(C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000887068109 584461218 /nfs/dbraw/zinc/46/12/18/584461218.db2.gz GCTKAMTVIKDRJJ-FRRDWIJNSA-N 2 1 296.415 -0.252 20 0 CBADMP CCN(C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000887068109 584461220 /nfs/dbraw/zinc/46/12/20/584461220.db2.gz GCTKAMTVIKDRJJ-FRRDWIJNSA-N 2 1 296.415 -0.252 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCN3CCC4)C[C@]2(C)C1 ZINC000887930778 584477866 /nfs/dbraw/zinc/47/78/66/584477866.db2.gz WRSJIVNGNJKBNH-FMKPAKJESA-N 2 1 292.427 -0.214 20 0 CBADMP C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)C[C@]2(C)C1 ZINC000887930778 584477868 /nfs/dbraw/zinc/47/78/68/584477868.db2.gz WRSJIVNGNJKBNH-FMKPAKJESA-N 2 1 292.427 -0.214 20 0 CBADMP C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C[C@]2(C)C1 ZINC000887930778 584477870 /nfs/dbraw/zinc/47/78/70/584477870.db2.gz WRSJIVNGNJKBNH-FMKPAKJESA-N 2 1 292.427 -0.214 20 0 CBADMP C[NH+](C)CCn1nccc1NC(=O)NCC[N@@H+](C)CCO ZINC000888254882 584487278 /nfs/dbraw/zinc/48/72/78/584487278.db2.gz BTVKSGZCVGKRMK-UHFFFAOYSA-N 2 1 298.391 -0.510 20 0 CBADMP C[C@@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)[NH+](C)C ZINC000889744160 584534861 /nfs/dbraw/zinc/53/48/61/584534861.db2.gz KPDBETSABZAPMX-RWMBFGLXSA-N 2 1 269.389 -0.006 20 0 CBADMP CCN(C(=O)NCC[N@@H+](C)CCOC)[C@@H]1CC[NH2+]C1 ZINC000891493174 584582532 /nfs/dbraw/zinc/58/25/32/584582532.db2.gz NDJCAEKOVKOFKQ-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891493180 584582620 /nfs/dbraw/zinc/58/26/20/584582620.db2.gz NIDCWYHWFWMYRI-TXEJJXNPSA-N 2 1 270.377 -0.290 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000891540078 584584942 /nfs/dbraw/zinc/58/49/42/584584942.db2.gz LWDUQKNHAGROLZ-QWHCGFSZSA-N 2 1 283.420 -0.245 20 0 CBADMP C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000891698127 584590120 /nfs/dbraw/zinc/59/01/20/584590120.db2.gz KLBWMLZYGQUBBX-WRWGMCAJSA-N 2 1 270.377 -0.163 20 0 CBADMP C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000891698127 584590123 /nfs/dbraw/zinc/59/01/23/584590123.db2.gz KLBWMLZYGQUBBX-WRWGMCAJSA-N 2 1 270.377 -0.163 20 0 CBADMP C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000891698126 584590165 /nfs/dbraw/zinc/59/01/65/584590165.db2.gz KLBWMLZYGQUBBX-NNYUYHANSA-N 2 1 270.377 -0.163 20 0 CBADMP C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000891698126 584590167 /nfs/dbraw/zinc/59/01/67/584590167.db2.gz KLBWMLZYGQUBBX-NNYUYHANSA-N 2 1 270.377 -0.163 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000891916325 584594089 /nfs/dbraw/zinc/59/40/89/584594089.db2.gz BOWBDVYNUHRMQR-TXEJJXNPSA-N 2 1 270.377 -0.255 20 0 CBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC[N@H+]1CCCOCC1)C2 ZINC000891918839 584594302 /nfs/dbraw/zinc/59/43/02/584594302.db2.gz NGACQDBWSJWEPB-DZGCQCFKSA-N 2 1 296.415 -0.040 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCC[NH2+]C2CC2)C1 ZINC000891989667 584597567 /nfs/dbraw/zinc/59/75/67/584597567.db2.gz XSWDNUIGCFEXBG-LBPRGKRZSA-N 2 1 284.404 -0.117 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000892044041 584600822 /nfs/dbraw/zinc/60/08/22/584600822.db2.gz GOYCPJHYPWXKPJ-MNOVXSKESA-N 2 1 272.393 -0.274 20 0 CBADMP C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000892140980 584605873 /nfs/dbraw/zinc/60/58/73/584605873.db2.gz GIEOHUNKTKKGPZ-VWYCJHECSA-N 2 1 272.393 -0.134 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000892181829 584608120 /nfs/dbraw/zinc/60/81/20/584608120.db2.gz VYBQNEGMFJJKGG-JHJVBQTASA-N 2 1 282.388 -0.290 20 0 CBADMP C[NH2+]CCOCCNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000892282033 584612029 /nfs/dbraw/zinc/61/20/29/584612029.db2.gz KCEVUARZJJRBDO-OLZOCXBDSA-N 2 1 284.404 -0.042 20 0 CBADMP CN1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)CC[N@@H+](C)CC1 ZINC000892330297 584615142 /nfs/dbraw/zinc/61/51/42/584615142.db2.gz HUCHBDBEZDMUGY-AWEZNQCLSA-N 2 1 297.447 -0.031 20 0 CBADMP CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH+](C)CC1 ZINC000892330297 584615144 /nfs/dbraw/zinc/61/51/44/584615144.db2.gz HUCHBDBEZDMUGY-AWEZNQCLSA-N 2 1 297.447 -0.031 20 0 CBADMP CN1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH+](C)CC1 ZINC000892330297 584615146 /nfs/dbraw/zinc/61/51/46/584615146.db2.gz HUCHBDBEZDMUGY-AWEZNQCLSA-N 2 1 297.447 -0.031 20 0 CBADMP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000892435292 584616685 /nfs/dbraw/zinc/61/66/85/584616685.db2.gz VGZRMAIOKKCDOL-XDQVBPFNSA-N 2 1 296.415 -0.036 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNc1cc[nH+]cc1CO ZINC000892468348 584617099 /nfs/dbraw/zinc/61/70/99/584617099.db2.gz SANMJUOYOZCALS-GFCCVEGCSA-N 2 1 250.346 -0.347 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892548187 584618006 /nfs/dbraw/zinc/61/80/06/584618006.db2.gz ABSSAAIRHAXKGO-SDDRHHMPSA-N 2 1 270.377 -0.568 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892548187 584618009 /nfs/dbraw/zinc/61/80/09/584618009.db2.gz ABSSAAIRHAXKGO-SDDRHHMPSA-N 2 1 270.377 -0.568 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892565122 584618966 /nfs/dbraw/zinc/61/89/66/584618966.db2.gz ABSSAAIRHAXKGO-SRVKXCTJSA-N 2 1 270.377 -0.568 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892565122 584618968 /nfs/dbraw/zinc/61/89/68/584618968.db2.gz ABSSAAIRHAXKGO-SRVKXCTJSA-N 2 1 270.377 -0.568 20 0 CBADMP COCC[NH+]1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000892583930 584620041 /nfs/dbraw/zinc/62/00/41/584620041.db2.gz VBDSGBDIQGBLHF-HAQNSBGRSA-N 2 1 270.377 -0.303 20 0 CBADMP C[NH+](C)C1(C)CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000894848176 584665881 /nfs/dbraw/zinc/66/58/81/584665881.db2.gz JFHSOZIGSSNSOM-UHFFFAOYSA-N 2 1 251.338 -0.044 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000896260379 584695045 /nfs/dbraw/zinc/69/50/45/584695045.db2.gz YUPXYEUXLUORAQ-UONOGXRCSA-N 2 1 297.399 -0.456 20 0 CBADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+](C)CCN1C ZINC000896529268 584700515 /nfs/dbraw/zinc/70/05/15/584700515.db2.gz AGLUWHSHXFXRST-YNEHKIRRSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+](C)CCN1C ZINC000896529268 584700517 /nfs/dbraw/zinc/70/05/17/584700517.db2.gz AGLUWHSHXFXRST-YNEHKIRRSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@H](NC(=O)[C@H](C)[NH+](C)C)[C@H]1C[N@@H+](C)CCN1C ZINC000896531565 584701263 /nfs/dbraw/zinc/70/12/63/584701263.db2.gz PSWNUTWWUHKTGA-SDDRHHMPSA-N 2 1 256.394 -0.313 20 0 CBADMP C[C@@H]1CCC[NH+]1CCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000897515035 584719283 /nfs/dbraw/zinc/71/92/83/584719283.db2.gz HPRUMKZCZZPZSU-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000897559272 584720527 /nfs/dbraw/zinc/72/05/27/584720527.db2.gz GLCIRXMSWWZRDS-YPMHNXCESA-N 2 1 294.399 -0.450 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000897559272 584720528 /nfs/dbraw/zinc/72/05/28/584720528.db2.gz GLCIRXMSWWZRDS-YPMHNXCESA-N 2 1 294.399 -0.450 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000897559272 584720529 /nfs/dbraw/zinc/72/05/29/584720529.db2.gz GLCIRXMSWWZRDS-YPMHNXCESA-N 2 1 294.399 -0.450 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000897559272 584720530 /nfs/dbraw/zinc/72/05/30/584720530.db2.gz GLCIRXMSWWZRDS-YPMHNXCESA-N 2 1 294.399 -0.450 20 0 CBADMP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1CC)C1CC1 ZINC000897631576 584721625 /nfs/dbraw/zinc/72/16/25/584721625.db2.gz AMBUXGVUKIGWCR-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1CC)C1CC1 ZINC000897631576 584721626 /nfs/dbraw/zinc/72/16/26/584721626.db2.gz AMBUXGVUKIGWCR-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1CC)C1CC1 ZINC000897631576 584721628 /nfs/dbraw/zinc/72/16/28/584721628.db2.gz AMBUXGVUKIGWCR-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1CC)C1CC1 ZINC000897631576 584721629 /nfs/dbraw/zinc/72/16/29/584721629.db2.gz AMBUXGVUKIGWCR-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000897716747 584723912 /nfs/dbraw/zinc/72/39/12/584723912.db2.gz KIUUEUMDDPDBAT-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000897716747 584723913 /nfs/dbraw/zinc/72/39/13/584723913.db2.gz KIUUEUMDDPDBAT-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000897716747 584723914 /nfs/dbraw/zinc/72/39/14/584723914.db2.gz KIUUEUMDDPDBAT-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000897716747 584723915 /nfs/dbraw/zinc/72/39/15/584723915.db2.gz KIUUEUMDDPDBAT-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)C1C[NH+](C2CCOCC2)C1 ZINC000899144824 584751198 /nfs/dbraw/zinc/75/11/98/584751198.db2.gz AUHJKLRNNKSCIX-CQSZACIVSA-N 2 1 297.399 -0.720 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)C1C[NH+](C2CCOCC2)C1 ZINC000899153195 584751759 /nfs/dbraw/zinc/75/17/59/584751759.db2.gz AUHJKLRNNKSCIX-AWEZNQCLSA-N 2 1 297.399 -0.720 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CCO ZINC000899734299 584777118 /nfs/dbraw/zinc/77/71/18/584777118.db2.gz ZRLMIKKHUFWAOS-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)CCO ZINC000899734299 584777120 /nfs/dbraw/zinc/77/71/20/584777120.db2.gz ZRLMIKKHUFWAOS-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)CCO ZINC000899734299 584777122 /nfs/dbraw/zinc/77/71/22/584777122.db2.gz ZRLMIKKHUFWAOS-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000899903894 584783530 /nfs/dbraw/zinc/78/35/30/584783530.db2.gz BOXZBTXFUOHFPZ-ZDUSSCGKSA-N 2 1 255.362 -0.393 20 0 CBADMP C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000899903894 584783531 /nfs/dbraw/zinc/78/35/31/584783531.db2.gz BOXZBTXFUOHFPZ-ZDUSSCGKSA-N 2 1 255.362 -0.393 20 0 CBADMP CN1CC[NH+](CCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000899991635 584787998 /nfs/dbraw/zinc/78/79/98/584787998.db2.gz UTIPBBPHBWWAQT-UHFFFAOYSA-N 2 1 280.416 -0.164 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000900280001 584797899 /nfs/dbraw/zinc/79/78/99/584797899.db2.gz ZPXYPSCFFUZLNY-HIFRSBDPSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000900280001 584797901 /nfs/dbraw/zinc/79/79/01/584797901.db2.gz ZPXYPSCFFUZLNY-HIFRSBDPSA-N 2 1 281.400 -0.004 20 0 CBADMP COCC[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900383742 584801541 /nfs/dbraw/zinc/80/15/41/584801541.db2.gz XLDMWXXUQGAFQK-HIFRSBDPSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000900441819 584804251 /nfs/dbraw/zinc/80/42/51/584804251.db2.gz ODFQNKFLNZIEOU-RGCMKSIDSA-N 2 1 297.399 -0.579 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000900441819 584804252 /nfs/dbraw/zinc/80/42/52/584804252.db2.gz ODFQNKFLNZIEOU-RGCMKSIDSA-N 2 1 297.399 -0.579 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000900441819 584804253 /nfs/dbraw/zinc/80/42/53/584804253.db2.gz ODFQNKFLNZIEOU-RGCMKSIDSA-N 2 1 297.399 -0.579 20 0 CBADMP COCCN(CC[NH+](C)C)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900587330 584813952 /nfs/dbraw/zinc/81/39/52/584813952.db2.gz NJLRTKZPIFMNAE-GXTWGEPZSA-N 2 1 287.404 -0.522 20 0 CBADMP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000900590110 584814153 /nfs/dbraw/zinc/81/41/53/584814153.db2.gz NHYBTEJLSNPHOW-GVXVVHGQSA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000900590110 584814156 /nfs/dbraw/zinc/81/41/56/584814156.db2.gz NHYBTEJLSNPHOW-GVXVVHGQSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000900590110 584814157 /nfs/dbraw/zinc/81/41/57/584814157.db2.gz NHYBTEJLSNPHOW-GVXVVHGQSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000900590110 584814159 /nfs/dbraw/zinc/81/41/59/584814159.db2.gz NHYBTEJLSNPHOW-GVXVVHGQSA-N 2 1 255.362 -0.348 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900625632 584817186 /nfs/dbraw/zinc/81/71/86/584817186.db2.gz XTKAKGIOZODCKZ-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900625632 584817189 /nfs/dbraw/zinc/81/71/89/584817189.db2.gz XTKAKGIOZODCKZ-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900625632 584817191 /nfs/dbraw/zinc/81/71/91/584817191.db2.gz XTKAKGIOZODCKZ-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900625633 584817356 /nfs/dbraw/zinc/81/73/56/584817356.db2.gz XTKAKGIOZODCKZ-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900625633 584817358 /nfs/dbraw/zinc/81/73/58/584817358.db2.gz XTKAKGIOZODCKZ-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900625633 584817360 /nfs/dbraw/zinc/81/73/60/584817360.db2.gz XTKAKGIOZODCKZ-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](C)C1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900631623 584817878 /nfs/dbraw/zinc/81/78/78/584817878.db2.gz AXCUOVKUMAGYKR-JSGCOSHPSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)N1CC[NH+](C)CC1 ZINC000900696253 584823055 /nfs/dbraw/zinc/82/30/55/584823055.db2.gz UHXGFWCANUCRQS-UMVBOHGHSA-N 2 1 298.431 -0.806 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CCOCC1 ZINC000900714494 584824246 /nfs/dbraw/zinc/82/42/46/584824246.db2.gz SPEXOMVXWPJIQL-GXTWGEPZSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900812005 584828379 /nfs/dbraw/zinc/82/83/79/584828379.db2.gz QLMNFFWWMRCTNS-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP COC1CC[NH+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900980532 584836383 /nfs/dbraw/zinc/83/63/83/584836383.db2.gz MGLDESSHCCRSPB-IUODEOHRSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000901138963 584851440 /nfs/dbraw/zinc/85/14/40/584851440.db2.gz OYKXICXMJAPMQP-KCQAQPDRSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000901138963 584851442 /nfs/dbraw/zinc/85/14/42/584851442.db2.gz OYKXICXMJAPMQP-KCQAQPDRSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](NC(=O)C[C@]1(O)CCC[NH+](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000901138963 584851444 /nfs/dbraw/zinc/85/14/44/584851444.db2.gz OYKXICXMJAPMQP-KCQAQPDRSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](NC(=O)C[C@]1(O)CCC[NH+](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000901138963 584851446 /nfs/dbraw/zinc/85/14/46/584851446.db2.gz OYKXICXMJAPMQP-KCQAQPDRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)(CO)[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000901225709 584856165 /nfs/dbraw/zinc/85/61/65/584856165.db2.gz CFWZIBJMIBHKIQ-UHFFFAOYSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+](C)CCOCCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000901341433 584861914 /nfs/dbraw/zinc/86/19/14/584861914.db2.gz OCDUVNHCLJGJAS-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+](C)CCOCCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000901342094 584861927 /nfs/dbraw/zinc/86/19/27/584861927.db2.gz YURVPNLAIZTDFI-YPMHNXCESA-N 2 1 273.377 -0.864 20 0 CBADMP CC1(C)C[NH2+]CC[C@H](NCC(=O)N2CC[NH2+]CC2)C1 ZINC000902391112 584876394 /nfs/dbraw/zinc/87/63/94/584876394.db2.gz UIOIRFNRDVXUHF-LBPRGKRZSA-N 2 1 268.405 -0.214 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000902520943 584877809 /nfs/dbraw/zinc/87/78/09/584877809.db2.gz QARRUBZWRJRRBX-GHMZBOCLSA-N 2 1 266.345 -0.073 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCO[C@@]23CCOC3)CC1 ZINC000903091163 584889176 /nfs/dbraw/zinc/88/91/76/584889176.db2.gz OKSWAGUCASSKQW-DZGCQCFKSA-N 2 1 297.399 -0.312 20 0 CBADMP CN(C)C(=O)[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1 ZINC000903457127 584890631 /nfs/dbraw/zinc/89/06/31/584890631.db2.gz OLJHDYWJRWVTHJ-WOPDTQHZSA-N 2 1 254.378 -0.524 20 0 CBADMP CNC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903464219 584890748 /nfs/dbraw/zinc/89/07/48/584890748.db2.gz DMNJHSVHZWGFCX-GRYCIOLGSA-N 2 1 270.377 -0.256 20 0 CBADMP CNC(=O)NC[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903464220 584890862 /nfs/dbraw/zinc/89/08/62/584890862.db2.gz DMNJHSVHZWGFCX-WOPDTQHZSA-N 2 1 270.377 -0.256 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903474686 584891114 /nfs/dbraw/zinc/89/11/14/584891114.db2.gz PQHPDIVOJMCASI-OCCSQVGLSA-N 2 1 296.415 -0.488 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903474686 584891115 /nfs/dbraw/zinc/89/11/15/584891115.db2.gz PQHPDIVOJMCASI-OCCSQVGLSA-N 2 1 296.415 -0.488 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)C[C@H]2C1=O ZINC000903476284 584891173 /nfs/dbraw/zinc/89/11/73/584891173.db2.gz SWMSKGPMYQZSDF-YTWAJWBKSA-N 2 1 251.330 -0.340 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H](C)C(N)=O)C2 ZINC000903492445 584891625 /nfs/dbraw/zinc/89/16/25/584891625.db2.gz DSVPHPJCAJJIIY-SREGZZRCSA-N 2 1 255.318 -0.928 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1nncn1C)C2 ZINC000903492686 584891676 /nfs/dbraw/zinc/89/16/76/584891676.db2.gz JITWDXILNLUGSQ-CWSCBRNRSA-N 2 1 279.344 -0.473 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1nncn1C)C2 ZINC000903492686 584891677 /nfs/dbraw/zinc/89/16/77/584891677.db2.gz JITWDXILNLUGSQ-CWSCBRNRSA-N 2 1 279.344 -0.473 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497194 584892004 /nfs/dbraw/zinc/89/20/04/584892004.db2.gz PPPMLHBOUJMXCT-GHMZBOCLSA-N 2 1 263.407 -0.158 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000903534591 584892699 /nfs/dbraw/zinc/89/26/99/584892699.db2.gz RFJKALGAJOFIKC-MNOVXSKESA-N 2 1 275.418 -0.145 20 0 CBADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCN1CCCS1(=O)=O ZINC000903717246 584895683 /nfs/dbraw/zinc/89/56/83/584895683.db2.gz LDUTZVVXJJIPJJ-LLVKDONJSA-N 2 1 263.407 -0.015 20 0 CBADMP COCC(=O)N1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723579 584895910 /nfs/dbraw/zinc/89/59/10/584895910.db2.gz ITBALUKPTPPWFV-DZGCQCFKSA-N 2 1 297.399 -0.454 20 0 CBADMP O=C1NC[C@@H]2C[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCN12 ZINC000903733303 584896472 /nfs/dbraw/zinc/89/64/72/584896472.db2.gz JTNYEVFWMVHQKB-CHWSQXEVSA-N 2 1 294.399 -0.146 20 0 CBADMP O=C1NC[C@@H]2C[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCN12 ZINC000903733303 584896473 /nfs/dbraw/zinc/89/64/73/584896473.db2.gz JTNYEVFWMVHQKB-CHWSQXEVSA-N 2 1 294.399 -0.146 20 0 CBADMP CNC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903756184 584897593 /nfs/dbraw/zinc/89/75/93/584897593.db2.gz PLBGIZHKVMZGCO-SGMGOOAPSA-N 2 1 283.372 -0.798 20 0 CBADMP CNC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903756184 584897594 /nfs/dbraw/zinc/89/75/94/584897594.db2.gz PLBGIZHKVMZGCO-SGMGOOAPSA-N 2 1 283.372 -0.798 20 0 CBADMP CNC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903756183 584897661 /nfs/dbraw/zinc/89/76/61/584897661.db2.gz PLBGIZHKVMZGCO-OBJOEFQTSA-N 2 1 283.372 -0.798 20 0 CBADMP CNC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903756183 584897663 /nfs/dbraw/zinc/89/76/63/584897663.db2.gz PLBGIZHKVMZGCO-OBJOEFQTSA-N 2 1 283.372 -0.798 20 0 CBADMP CN(C)C(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903756445 584897697 /nfs/dbraw/zinc/89/76/97/584897697.db2.gz RUGYCPYMYBTXDG-IPYPFGDCSA-N 2 1 296.415 -0.883 20 0 CBADMP CN(C)C(=O)[C@@H]1CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC[NH2+]1 ZINC000903756445 584897699 /nfs/dbraw/zinc/89/76/99/584897699.db2.gz RUGYCPYMYBTXDG-IPYPFGDCSA-N 2 1 296.415 -0.883 20 0 CBADMP CN(C)C(=O)NCC[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903756054 584897710 /nfs/dbraw/zinc/89/77/10/584897710.db2.gz ONZTXJRYPPOGSI-TZMCWYRMSA-N 2 1 284.404 -0.042 20 0 CBADMP CC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903768649 584897952 /nfs/dbraw/zinc/89/79/52/584897952.db2.gz OHZDIXBXQWIGEC-HZSPNIEDSA-N 2 1 267.373 -0.035 20 0 CBADMP O[C@@H]1C[C@H]2CN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC[N@H+]2C1 ZINC000903767514 584898039 /nfs/dbraw/zinc/89/80/39/584898039.db2.gz GQTWUGJCSYCXMU-RRFJBIMHSA-N 2 1 295.427 -0.104 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903768043 584898094 /nfs/dbraw/zinc/89/80/94/584898094.db2.gz PWBUHZQDMXIZJI-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](C[C@H]3CCCC[NH2+]C3)C[C@H]2C1=O ZINC000903777979 584899293 /nfs/dbraw/zinc/89/92/93/584899293.db2.gz HPLQPJSRWCTASJ-SDDRHHMPSA-N 2 1 265.357 -0.077 20 0 CBADMP O=C1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCCN1 ZINC000903783366 584899494 /nfs/dbraw/zinc/89/94/94/584899494.db2.gz XGSSWLZAXDHUKX-WCQYABFASA-N 2 1 253.346 -0.423 20 0 CBADMP O=C1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCCN1 ZINC000903783366 584899496 /nfs/dbraw/zinc/89/94/96/584899496.db2.gz XGSSWLZAXDHUKX-WCQYABFASA-N 2 1 253.346 -0.423 20 0 CBADMP COC[C@@H](C(N)=O)[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782380 584899512 /nfs/dbraw/zinc/89/95/12/584899512.db2.gz MCDLOKPHMGWCCX-NTZNESFSSA-N 2 1 271.361 -0.813 20 0 CBADMP COC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782380 584899513 /nfs/dbraw/zinc/89/95/13/584899513.db2.gz MCDLOKPHMGWCCX-NTZNESFSSA-N 2 1 271.361 -0.813 20 0 CBADMP CC[N@@H+](CCC(N)=O)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903786208 584899743 /nfs/dbraw/zinc/89/97/43/584899743.db2.gz GGPIFJJDGMOGSB-DGCLKSJQSA-N 2 1 255.362 -0.048 20 0 CBADMP CC[N@@H+](CCC(N)=O)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903786207 584899759 /nfs/dbraw/zinc/89/97/59/584899759.db2.gz GGPIFJJDGMOGSB-AAEUAGOBSA-N 2 1 255.362 -0.048 20 0 CBADMP O=S1(=O)C[C@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)C[C@H]2C1 ZINC000903826889 584900923 /nfs/dbraw/zinc/90/09/23/584900923.db2.gz MRFNBVSZEOBQEO-SDDRHHMPSA-N 2 1 258.387 -0.038 20 0 CBADMP NC(=O)[C@]12CCC[C@H]1C[N@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000903826489 584900993 /nfs/dbraw/zinc/90/09/93/584900993.db2.gz KKLLFFVJGZOPSH-XGZQDADWSA-N 2 1 253.346 -0.576 20 0 CBADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903830146 584901190 /nfs/dbraw/zinc/90/11/90/584901190.db2.gz USZKYEOKZYDWJU-FRRDWIJNSA-N 2 1 268.357 -0.145 20 0 CBADMP OCC[C@H]1COCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903829165 584901266 /nfs/dbraw/zinc/90/12/66/584901266.db2.gz AZZMZSVLSHPZCA-NWDGAFQWSA-N 2 1 256.346 -0.409 20 0 CBADMP OCC[C@H]1COCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903829165 584901267 /nfs/dbraw/zinc/90/12/67/584901267.db2.gz AZZMZSVLSHPZCA-NWDGAFQWSA-N 2 1 256.346 -0.409 20 0 CBADMP C[C@H]1CCOCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000903832440 584901402 /nfs/dbraw/zinc/90/14/02/584901402.db2.gz RRSNPBZTLWKCMD-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP COCC[C@H]1C[NH2+]CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000903837291 584901573 /nfs/dbraw/zinc/90/15/73/584901573.db2.gz HROAGXBDBZJCMQ-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCN1CCCS1(=O)=O)C2 ZINC000903840183 584901724 /nfs/dbraw/zinc/90/17/24/584901724.db2.gz OYLZXJONXKSOCO-TUAOUCFPSA-N 2 1 273.402 -0.167 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903857844 584902264 /nfs/dbraw/zinc/90/22/64/584902264.db2.gz WQTGSWYOGNWUNS-SKDRFNHKSA-N 2 1 254.334 -0.355 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903857844 584902266 /nfs/dbraw/zinc/90/22/66/584902266.db2.gz WQTGSWYOGNWUNS-SKDRFNHKSA-N 2 1 254.334 -0.355 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903860891 584902282 /nfs/dbraw/zinc/90/22/82/584902282.db2.gz UTVDCRQPSAAJHD-RISCZKNCSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903860891 584902284 /nfs/dbraw/zinc/90/22/84/584902284.db2.gz UTVDCRQPSAAJHD-RISCZKNCSA-N 2 1 283.372 -0.179 20 0 CBADMP COCCOC[C@H](O)C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903864186 584902616 /nfs/dbraw/zinc/90/26/16/584902616.db2.gz SVWNGCCOGYMJNM-YNEHKIRRSA-N 2 1 258.362 -0.177 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903864186 584902617 /nfs/dbraw/zinc/90/26/17/584902617.db2.gz SVWNGCCOGYMJNM-YNEHKIRRSA-N 2 1 258.362 -0.177 20 0 CBADMP CC[N@@H+](CC(=O)NC)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903879507 584903501 /nfs/dbraw/zinc/90/35/01/584903501.db2.gz CGQBIGVTZKPDHT-LBPRGKRZSA-N 2 1 281.404 -0.086 20 0 CBADMP CC[N@H+](CC(=O)NC)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903879507 584903503 /nfs/dbraw/zinc/90/35/03/584903503.db2.gz CGQBIGVTZKPDHT-LBPRGKRZSA-N 2 1 281.404 -0.086 20 0 CBADMP COC[C@@H]1C[NH2+]CCN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000903880991 584903698 /nfs/dbraw/zinc/90/36/98/584903698.db2.gz OIJQYTXXSZTQGZ-STQMWFEESA-N 2 1 257.378 -0.373 20 0 CBADMP COC[C@@H]1C[NH2+]CCN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000903880991 584903699 /nfs/dbraw/zinc/90/36/99/584903699.db2.gz OIJQYTXXSZTQGZ-STQMWFEESA-N 2 1 257.378 -0.373 20 0 CBADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](CCO)CCCO)cnn1C ZINC000903891775 584904116 /nfs/dbraw/zinc/90/41/16/584904116.db2.gz CRZGJVPNGCXXHZ-ZDUSSCGKSA-N 2 1 284.404 -0.477 20 0 CBADMP C[C@@]1(C(N)=O)CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903909858 584904358 /nfs/dbraw/zinc/90/43/58/584904358.db2.gz HHHSQZBOSCEBGM-BXUZGUMPSA-N 2 1 292.387 -0.100 20 0 CBADMP CC[N@@H+](CC(N)=O)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903909722 584904426 /nfs/dbraw/zinc/90/44/26/584904426.db2.gz XUCNCYIPSWGHIU-NSHDSACASA-N 2 1 267.377 -0.347 20 0 CBADMP CC[N@H+](CC(N)=O)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903909722 584904428 /nfs/dbraw/zinc/90/44/28/584904428.db2.gz XUCNCYIPSWGHIU-NSHDSACASA-N 2 1 267.377 -0.347 20 0 CBADMP Cc1c(C[C@@H](C[NH3+])CNCCN2CC[NH2+]CC2)cnn1C ZINC000903918665 584904800 /nfs/dbraw/zinc/90/48/00/584904800.db2.gz DZMQRIAWIVCEOS-AWEZNQCLSA-N 2 1 294.447 -0.659 20 0 CBADMP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958474168 613904302 /nfs/dbraw/zinc/90/43/02/613904302.db2.gz GXIPSCHRFWAHSG-XQHKEYJVSA-N 2 1 267.373 -0.228 20 0 CBADMP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958474168 613904303 /nfs/dbraw/zinc/90/43/03/613904303.db2.gz GXIPSCHRFWAHSG-XQHKEYJVSA-N 2 1 267.373 -0.228 20 0 CBADMP CC(C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000958474168 613904304 /nfs/dbraw/zinc/90/43/04/613904304.db2.gz GXIPSCHRFWAHSG-XQHKEYJVSA-N 2 1 267.373 -0.228 20 0 CBADMP CC(C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000958474168 613904305 /nfs/dbraw/zinc/90/43/05/613904305.db2.gz GXIPSCHRFWAHSG-XQHKEYJVSA-N 2 1 267.373 -0.228 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000981820661 614366146 /nfs/dbraw/zinc/36/61/46/614366146.db2.gz XPZGVUKPVFSEGA-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000981820661 614366147 /nfs/dbraw/zinc/36/61/47/614366147.db2.gz XPZGVUKPVFSEGA-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000981820661 614366148 /nfs/dbraw/zinc/36/61/48/614366148.db2.gz XPZGVUKPVFSEGA-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC000981820661 614366149 /nfs/dbraw/zinc/36/61/49/614366149.db2.gz XPZGVUKPVFSEGA-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC000962143494 614435399 /nfs/dbraw/zinc/43/53/99/614435399.db2.gz VKCHZSJWUAIXQJ-JYAVWHMHSA-N 2 1 294.399 -0.750 20 0 CBADMP CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC000962143494 614435402 /nfs/dbraw/zinc/43/54/02/614435402.db2.gz VKCHZSJWUAIXQJ-JYAVWHMHSA-N 2 1 294.399 -0.750 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000961792346 614541085 /nfs/dbraw/zinc/54/10/85/614541085.db2.gz XFNQOCXMZNENEN-IMRBUKKESA-N 2 1 281.400 -0.243 20 0 CBADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000961792346 614541088 /nfs/dbraw/zinc/54/10/88/614541088.db2.gz XFNQOCXMZNENEN-IMRBUKKESA-N 2 1 281.400 -0.243 20 0 CBADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000961792346 614541091 /nfs/dbraw/zinc/54/10/91/614541091.db2.gz XFNQOCXMZNENEN-IMRBUKKESA-N 2 1 281.400 -0.243 20 0 CBADMP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971266895 614892992 /nfs/dbraw/zinc/89/29/92/614892992.db2.gz KJMJUXZMNJFUQU-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971266895 614892995 /nfs/dbraw/zinc/89/29/95/614892995.db2.gz KJMJUXZMNJFUQU-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971266895 614892997 /nfs/dbraw/zinc/89/29/97/614892997.db2.gz KJMJUXZMNJFUQU-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971266895 614892999 /nfs/dbraw/zinc/89/29/99/614892999.db2.gz KJMJUXZMNJFUQU-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](N(C)CC(N)=O)C1 ZINC000980484062 615110682 /nfs/dbraw/zinc/11/06/82/615110682.db2.gz VXYROIOQUTZHSF-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2C[NH+](CCOC)C2)C1 ZINC000970905886 615171237 /nfs/dbraw/zinc/17/12/37/615171237.db2.gz XKKXVPMQHLWJFG-GXTWGEPZSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2C[NH+](CCOC)C2)C1 ZINC000970905886 615171239 /nfs/dbraw/zinc/17/12/39/615171239.db2.gz XKKXVPMQHLWJFG-GXTWGEPZSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C2C[NH+](CCOC)C2)C1 ZINC000970905887 615183752 /nfs/dbraw/zinc/18/37/52/615183752.db2.gz XKKXVPMQHLWJFG-JSGCOSHPSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C2C[NH+](CCOC)C2)C1 ZINC000970905887 615183753 /nfs/dbraw/zinc/18/37/53/615183753.db2.gz XKKXVPMQHLWJFG-JSGCOSHPSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C2C[NH+](CCCO)C2)C1 ZINC000970904316 615183982 /nfs/dbraw/zinc/18/39/82/615183982.db2.gz OJWJSCVKHWHRAN-OCCSQVGLSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C2C[NH+](CCCO)C2)C1 ZINC000970904316 615183983 /nfs/dbraw/zinc/18/39/83/615183983.db2.gz OJWJSCVKHWHRAN-OCCSQVGLSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C2C[NH+](CCO)C2)C1 ZINC000970905168 615184661 /nfs/dbraw/zinc/18/46/61/615184661.db2.gz ULZZWKHYJRWDCJ-YPMHNXCESA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C2C[NH+](CCO)C2)C1 ZINC000970905168 615184663 /nfs/dbraw/zinc/18/46/63/615184663.db2.gz ULZZWKHYJRWDCJ-YPMHNXCESA-N 2 1 285.388 -0.864 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2)[NH+](C)C ZINC000972553494 615377185 /nfs/dbraw/zinc/37/71/85/615377185.db2.gz GMMCXGWGPCCYQZ-ZFWWWQNUSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2)[NH+](C)C ZINC000972553494 615377187 /nfs/dbraw/zinc/37/71/87/615377187.db2.gz GMMCXGWGPCCYQZ-ZFWWWQNUSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405562 615391966 /nfs/dbraw/zinc/39/19/66/615391966.db2.gz KDXCGVYVWQLKOV-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958593918 615405548 /nfs/dbraw/zinc/40/55/48/615405548.db2.gz CZLWPCQSINYIOL-RYUDHWBXSA-N 2 1 267.373 -0.489 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000971777816 615603722 /nfs/dbraw/zinc/60/37/22/615603722.db2.gz HSRPNQMUPWNQIQ-WDEREUQCSA-N 2 1 270.377 -0.655 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000971777816 615603723 /nfs/dbraw/zinc/60/37/23/615603723.db2.gz HSRPNQMUPWNQIQ-WDEREUQCSA-N 2 1 270.377 -0.655 20 0 CBADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC000968909979 615974972 /nfs/dbraw/zinc/97/49/72/615974972.db2.gz VZTYODKJIZQUKV-OLZOCXBDSA-N 2 1 297.378 -0.027 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1)C1CC1 ZINC000971687300 615987808 /nfs/dbraw/zinc/98/78/08/615987808.db2.gz XJXJCMWABDCCNN-YPMHNXCESA-N 2 1 282.388 -0.655 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1)C1CC1 ZINC000971687300 615987809 /nfs/dbraw/zinc/98/78/09/615987809.db2.gz XJXJCMWABDCCNN-YPMHNXCESA-N 2 1 282.388 -0.655 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972740522 616109653 /nfs/dbraw/zinc/10/96/53/616109653.db2.gz OJLOQVGTVRJIJA-GFCCVEGCSA-N 2 1 267.373 -0.393 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)CCC1 ZINC000971673955 616112539 /nfs/dbraw/zinc/11/25/39/616112539.db2.gz KWROMKGGXATYCP-LBPRGKRZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCO)C1)C1CC1 ZINC000971677376 616113148 /nfs/dbraw/zinc/11/31/48/616113148.db2.gz JQNDZBQUTKJZOV-QWHCGFSZSA-N 2 1 269.389 -0.148 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972482159 616167939 /nfs/dbraw/zinc/16/79/39/616167939.db2.gz GCLMXGPJJQUNCE-ZDUSSCGKSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972482159 616167940 /nfs/dbraw/zinc/16/79/40/616167940.db2.gz GCLMXGPJJQUNCE-ZDUSSCGKSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000978353817 616183813 /nfs/dbraw/zinc/18/38/13/616183813.db2.gz WOVYARWLERBDBO-FQUUOJAGSA-N 2 1 281.400 -0.243 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000978353817 616183814 /nfs/dbraw/zinc/18/38/14/616183814.db2.gz WOVYARWLERBDBO-FQUUOJAGSA-N 2 1 281.400 -0.243 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000978353817 616183815 /nfs/dbraw/zinc/18/38/15/616183815.db2.gz WOVYARWLERBDBO-FQUUOJAGSA-N 2 1 281.400 -0.243 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000967924878 616209879 /nfs/dbraw/zinc/20/98/79/616209879.db2.gz JZGDZGMEZXULLK-OLZOCXBDSA-N 2 1 292.387 -0.437 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCO)C1 ZINC000968796084 616259230 /nfs/dbraw/zinc/25/92/30/616259230.db2.gz FHABISJNPIFYBE-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCO)C1 ZINC000968796084 616259231 /nfs/dbraw/zinc/25/92/31/616259231.db2.gz FHABISJNPIFYBE-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CCO)C1 ZINC000968796084 616259232 /nfs/dbraw/zinc/25/92/32/616259232.db2.gz FHABISJNPIFYBE-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CCO)C1 ZINC000968796084 616259233 /nfs/dbraw/zinc/25/92/33/616259233.db2.gz FHABISJNPIFYBE-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC000958475250 616260036 /nfs/dbraw/zinc/26/00/36/616260036.db2.gz VIJPDDGBTVIMHC-QNWHQSFQSA-N 2 1 285.363 -0.277 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC000958475250 616260037 /nfs/dbraw/zinc/26/00/37/616260037.db2.gz VIJPDDGBTVIMHC-QNWHQSFQSA-N 2 1 285.363 -0.277 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC000958475250 616260038 /nfs/dbraw/zinc/26/00/38/616260038.db2.gz VIJPDDGBTVIMHC-QNWHQSFQSA-N 2 1 285.363 -0.277 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC000958475250 616260039 /nfs/dbraw/zinc/26/00/39/616260039.db2.gz VIJPDDGBTVIMHC-QNWHQSFQSA-N 2 1 285.363 -0.277 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCC[NH+](CCO)C3)C1 ZINC000982150671 616264460 /nfs/dbraw/zinc/26/44/60/616264460.db2.gz PLUKJKYCOWDOLS-CYBMUJFWSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CCC[N@H+](CCO)C3)C1 ZINC000982150671 616264461 /nfs/dbraw/zinc/26/44/61/616264461.db2.gz PLUKJKYCOWDOLS-CYBMUJFWSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](CCO)C3)C1 ZINC000982150671 616264462 /nfs/dbraw/zinc/26/44/62/616264462.db2.gz PLUKJKYCOWDOLS-CYBMUJFWSA-N 2 1 281.400 -0.145 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)CC2(C)C)C1 ZINC000941217180 616267475 /nfs/dbraw/zinc/26/74/75/616267475.db2.gz KUJORWGPQOFJGV-NEPJUHHUSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)CC2(C)C)C1 ZINC000941217180 616267476 /nfs/dbraw/zinc/26/74/76/616267476.db2.gz KUJORWGPQOFJGV-NEPJUHHUSA-N 2 1 296.415 -0.360 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000941217180 616267477 /nfs/dbraw/zinc/26/74/77/616267477.db2.gz KUJORWGPQOFJGV-NEPJUHHUSA-N 2 1 296.415 -0.360 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000941217180 616267478 /nfs/dbraw/zinc/26/74/78/616267478.db2.gz KUJORWGPQOFJGV-NEPJUHHUSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000972730776 616389227 /nfs/dbraw/zinc/38/92/27/616389227.db2.gz AMSAYYAFGQLWIK-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000972730776 616389230 /nfs/dbraw/zinc/38/92/30/616389230.db2.gz AMSAYYAFGQLWIK-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972730776 616389233 /nfs/dbraw/zinc/38/92/33/616389233.db2.gz AMSAYYAFGQLWIK-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972730776 616389237 /nfs/dbraw/zinc/38/92/37/616389237.db2.gz AMSAYYAFGQLWIK-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944919733 616614011 /nfs/dbraw/zinc/61/40/11/616614011.db2.gz QGUDLHKOOQFVMJ-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000961790603 616641451 /nfs/dbraw/zinc/64/14/51/616641451.db2.gz REWKWMLTWCUJGX-UUIJZJDISA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000961790603 616641454 /nfs/dbraw/zinc/64/14/54/616641454.db2.gz REWKWMLTWCUJGX-UUIJZJDISA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000961790603 616641457 /nfs/dbraw/zinc/64/14/57/616641457.db2.gz REWKWMLTWCUJGX-UUIJZJDISA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000961790603 616641460 /nfs/dbraw/zinc/64/14/60/616641460.db2.gz REWKWMLTWCUJGX-UUIJZJDISA-N 2 1 294.399 -0.879 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@@H](C)COC)C1 ZINC000234404161 656115000 /nfs/dbraw/zinc/11/50/00/656115000.db2.gz PYQXYJCIXCGKPW-RWMBFGLXSA-N 2 1 260.378 -0.060 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(S(=O)(=O)C3C[NH2+]C3)CC[C@@H]21 ZINC000923665643 658388298 /nfs/dbraw/zinc/38/82/98/658388298.db2.gz GABJLEDRGDTIFJ-KOLCDFICSA-N 2 1 259.375 -0.686 20 0 CBADMP C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CCOCCO ZINC000922111591 657992669 /nfs/dbraw/zinc/99/26/69/657992669.db2.gz YZCQBBBRTFCFFG-CYBMUJFWSA-N 2 1 287.404 -0.615 20 0 CBADMP C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)CCOCCO ZINC000922111591 657992685 /nfs/dbraw/zinc/99/26/85/657992685.db2.gz YZCQBBBRTFCFFG-CYBMUJFWSA-N 2 1 287.404 -0.615 20 0 CBADMP C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CCOCCO ZINC000922111591 657992711 /nfs/dbraw/zinc/99/27/11/657992711.db2.gz YZCQBBBRTFCFFG-CYBMUJFWSA-N 2 1 287.404 -0.615 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCOCCO)CC[N@H+]1C ZINC000922111712 657993560 /nfs/dbraw/zinc/99/35/60/657993560.db2.gz AVFIKQFTHAWSRM-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CCOCCO)CC[NH+]1C ZINC000922111712 657993571 /nfs/dbraw/zinc/99/35/71/657993571.db2.gz AVFIKQFTHAWSRM-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CCOCCO)CC[NH+]1C ZINC000922111712 657993583 /nfs/dbraw/zinc/99/35/83/657993583.db2.gz AVFIKQFTHAWSRM-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NCCOCC[NH+](C)C)CC[N@H+]1C ZINC000922145264 658008316 /nfs/dbraw/zinc/00/83/16/658008316.db2.gz SFSKYMPLVUNHMS-VXGBXAGGSA-N 2 1 272.393 -0.044 20 0 CBADMP CC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378255 658246104 /nfs/dbraw/zinc/24/61/04/658246104.db2.gz TVHSRMOIEJOWSL-MELADBBJSA-N 2 1 296.415 -0.023 20 0 CBADMP CN(CC1CC1)C(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459125 658286545 /nfs/dbraw/zinc/28/65/45/658286545.db2.gz ABJAEWLUERTAMW-UHFFFAOYSA-N 2 1 254.378 -0.650 20 0 CBADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000923485198 658303919 /nfs/dbraw/zinc/30/39/19/658303919.db2.gz GSSSANFDFRKTCF-GFCCVEGCSA-N 2 1 282.388 -0.604 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484832 658305917 /nfs/dbraw/zinc/30/59/17/658305917.db2.gz OIBCOQNEZHYFHM-JTQLQIEISA-N 2 1 257.334 -0.664 20 0 CBADMP NS(=O)(=O)C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000923531079 658315500 /nfs/dbraw/zinc/31/55/00/658315500.db2.gz NNSRHKCUPCQKDX-GFCCVEGCSA-N 2 1 275.418 -0.014 20 0 CBADMP CC[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000923622426 658356990 /nfs/dbraw/zinc/35/69/90/658356990.db2.gz YJVZCAYDRUSZNV-WDEREUQCSA-N 2 1 291.417 -0.935 20 0 CBADMP CC[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000923622426 658357006 /nfs/dbraw/zinc/35/70/06/658357006.db2.gz YJVZCAYDRUSZNV-WDEREUQCSA-N 2 1 291.417 -0.935 20 0 CBADMP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000923641980 658370819 /nfs/dbraw/zinc/37/08/19/658370819.db2.gz BNUOYIGRFURCHS-WOPDTQHZSA-N 2 1 289.401 -0.869 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000923665120 658387278 /nfs/dbraw/zinc/38/72/78/658387278.db2.gz BUOKGLLELMQOSY-NEPJUHHUSA-N 2 1 288.417 -0.838 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)C[NH+]1CCCC1 ZINC000929565169 659141559 /nfs/dbraw/zinc/14/15/59/659141559.db2.gz QCGSURJYUVFZED-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C[NH+]1CCCC1 ZINC000929565169 659141562 /nfs/dbraw/zinc/14/15/62/659141562.db2.gz QCGSURJYUVFZED-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCN(CCN[C@@H]2C[NH2+]CCOC2)CC1(C)C ZINC000925663725 658864278 /nfs/dbraw/zinc/86/42/78/658864278.db2.gz XKERSXGXXCCBRI-CYBMUJFWSA-N 2 1 270.421 -0.410 20 0 CBADMP OCCC[N@H+]1CCC[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925678531 658864992 /nfs/dbraw/zinc/86/49/92/658864992.db2.gz FPCMPWKKSDXQMB-QWHCGFSZSA-N 2 1 257.378 -0.589 20 0 CBADMP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000969156857 658954212 /nfs/dbraw/zinc/95/42/12/658954212.db2.gz ITSPAKUJSBXYRQ-WDEREUQCSA-N 2 1 296.371 -0.079 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1C ZINC000928449334 659025029 /nfs/dbraw/zinc/02/50/29/659025029.db2.gz QCDDMKNDAWHFOK-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000928452414 659026207 /nfs/dbraw/zinc/02/62/07/659026207.db2.gz YKKDDCRTFXWATP-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000928452414 659026214 /nfs/dbraw/zinc/02/62/14/659026214.db2.gz YKKDDCRTFXWATP-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000930490745 659298213 /nfs/dbraw/zinc/29/82/13/659298213.db2.gz HKTRTCASWVIMKP-RTXFEEFZSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000930490745 659298223 /nfs/dbraw/zinc/29/82/23/659298223.db2.gz HKTRTCASWVIMKP-RTXFEEFZSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000930490745 659298230 /nfs/dbraw/zinc/29/82/30/659298230.db2.gz HKTRTCASWVIMKP-RTXFEEFZSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000930490745 659298243 /nfs/dbraw/zinc/29/82/43/659298243.db2.gz HKTRTCASWVIMKP-RTXFEEFZSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@H](O)[C@H](O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000930501427 659299045 /nfs/dbraw/zinc/29/90/45/659299045.db2.gz BJAPFOMASGCFIW-QWHCGFSZSA-N 2 1 261.410 -0.457 20 0 CBADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)C1=CC[NH+](C)CC1 ZINC000930651951 659316009 /nfs/dbraw/zinc/31/60/09/659316009.db2.gz CVTVDRIXIWRDOE-YPMHNXCESA-N 2 1 294.399 -0.427 20 0 CBADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C1=CC[NH+](C)CC1 ZINC000930651951 659316018 /nfs/dbraw/zinc/31/60/18/659316018.db2.gz CVTVDRIXIWRDOE-YPMHNXCESA-N 2 1 294.399 -0.427 20 0 CBADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[NH+]1C)C1=CC[N@H+](C)CC1 ZINC000930651951 659316023 /nfs/dbraw/zinc/31/60/23/659316023.db2.gz CVTVDRIXIWRDOE-YPMHNXCESA-N 2 1 294.399 -0.427 20 0 CBADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[NH+]1C)C1=CC[N@@H+](C)CC1 ZINC000930651951 659316028 /nfs/dbraw/zinc/31/60/28/659316028.db2.gz CVTVDRIXIWRDOE-YPMHNXCESA-N 2 1 294.399 -0.427 20 0 CBADMP O[C@@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1(O)CCC1 ZINC000931065768 659381737 /nfs/dbraw/zinc/38/17/37/659381737.db2.gz DXESAROQYBJGDI-KBPBESRZSA-N 2 1 284.400 -0.207 20 0 CBADMP O[C@@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)C1(O)CCC1 ZINC000931065768 659381745 /nfs/dbraw/zinc/38/17/45/659381745.db2.gz DXESAROQYBJGDI-KBPBESRZSA-N 2 1 284.400 -0.207 20 0 CBADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCNC3=O)C[C@@H]2C1 ZINC000931432477 659461647 /nfs/dbraw/zinc/46/16/47/659461647.db2.gz RYKHHRHXWMXHOK-MNOVXSKESA-N 2 1 266.345 -0.578 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCNC3=O)C[C@@H]2C1 ZINC000931432477 659461681 /nfs/dbraw/zinc/46/16/81/659461681.db2.gz RYKHHRHXWMXHOK-MNOVXSKESA-N 2 1 266.345 -0.578 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N3CCNC3=O)C[C@@H]2C1 ZINC000931432477 659461724 /nfs/dbraw/zinc/46/17/24/659461724.db2.gz RYKHHRHXWMXHOK-MNOVXSKESA-N 2 1 266.345 -0.578 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N3CCNC3=O)C[C@@H]2C1 ZINC000931432477 659461735 /nfs/dbraw/zinc/46/17/35/659461735.db2.gz RYKHHRHXWMXHOK-MNOVXSKESA-N 2 1 266.345 -0.578 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C[C@@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442475 659465120 /nfs/dbraw/zinc/46/51/20/659465120.db2.gz IESBNEVXKKHHEM-QPSCCSFWSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)C[C@@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442475 659465138 /nfs/dbraw/zinc/46/51/38/659465138.db2.gz IESBNEVXKKHHEM-QPSCCSFWSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)C[C@@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442475 659465160 /nfs/dbraw/zinc/46/51/60/659465160.db2.gz IESBNEVXKKHHEM-QPSCCSFWSA-N 2 1 284.400 -0.228 20 0 CBADMP Cn1c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc(=O)n(C)c1=O ZINC000931432042 659466271 /nfs/dbraw/zinc/46/62/71/659466271.db2.gz VRHZFPZGTIIXHC-NEPJUHHUSA-N 2 1 292.383 -0.533 20 0 CBADMP Cn1c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc(=O)n(C)c1=O ZINC000931432042 659466286 /nfs/dbraw/zinc/46/62/86/659466286.db2.gz VRHZFPZGTIIXHC-NEPJUHHUSA-N 2 1 292.383 -0.533 20 0 CBADMP Cn1c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc(=O)n(C)c1=O ZINC000931432042 659466299 /nfs/dbraw/zinc/46/62/99/659466299.db2.gz VRHZFPZGTIIXHC-NEPJUHHUSA-N 2 1 292.383 -0.533 20 0 CBADMP C[C@H]1CN(C(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)CCO1 ZINC000931488376 659471032 /nfs/dbraw/zinc/47/10/32/659471032.db2.gz QNLFLNDIUUCIBT-ZDUSSCGKSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H]1CO[C@@H](C)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298634 656026319 /nfs/dbraw/zinc/02/63/19/656026319.db2.gz YDAZAAFHWCQPTI-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)N(C)C ZINC000053298886 656026372 /nfs/dbraw/zinc/02/63/72/656026372.db2.gz RNQJKJLKFAAULD-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP O=S(=O)(N1CC[C@@H]([NH+]2CCCC2)C1)N1CC[NH2+]CC1 ZINC000062981073 656033415 /nfs/dbraw/zinc/03/34/15/656033415.db2.gz XQFZABIJRAAWRS-GFCCVEGCSA-N 2 1 288.417 -0.694 20 0 CBADMP Cc1nonc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000070262383 656040712 /nfs/dbraw/zinc/04/07/12/656040712.db2.gz XJNJRBOTOILIFR-JTQLQIEISA-N 2 1 267.333 -0.335 20 0 CBADMP Cc1nonc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000070262383 656040713 /nfs/dbraw/zinc/04/07/13/656040713.db2.gz XJNJRBOTOILIFR-JTQLQIEISA-N 2 1 267.333 -0.335 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091667913 656059019 /nfs/dbraw/zinc/05/90/19/656059019.db2.gz BNXRJKWPXBCNNV-GRYCIOLGSA-N 2 1 255.362 -0.051 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000091668488 656059106 /nfs/dbraw/zinc/05/91/06/656059106.db2.gz JYVIMTXHBCVCQM-YNEHKIRRSA-N 2 1 283.372 -0.656 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000091668492 656059200 /nfs/dbraw/zinc/05/92/00/656059200.db2.gz JYVIMTXHBCVCQM-XQQFMLRXSA-N 2 1 283.372 -0.656 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668486 656059282 /nfs/dbraw/zinc/05/92/82/656059282.db2.gz JYVIMTXHBCVCQM-JHJVBQTASA-N 2 1 283.372 -0.656 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CCC[NH2+]C1 ZINC000091668073 656059315 /nfs/dbraw/zinc/05/93/15/656059315.db2.gz LITFGCKVBFJIQI-UPJWGTAASA-N 2 1 267.373 -0.035 20 0 CBADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125532733 656067651 /nfs/dbraw/zinc/06/76/51/656067651.db2.gz QWCGAEVYDLILAN-ZJUUUORDSA-N 2 1 256.350 -0.109 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@@H]1C[NH3+] ZINC000167773778 656081374 /nfs/dbraw/zinc/08/13/74/656081374.db2.gz GRRGDZWRPRWWPP-NEPJUHHUSA-N 2 1 255.362 -0.238 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1C[NH3+] ZINC000167773778 656081377 /nfs/dbraw/zinc/08/13/77/656081377.db2.gz GRRGDZWRPRWWPP-NEPJUHHUSA-N 2 1 255.362 -0.238 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217056495 656105174 /nfs/dbraw/zinc/10/51/74/656105174.db2.gz XIEOLCCIOBMCKA-RDBSUJKOSA-N 2 1 299.415 -0.426 20 0 CBADMP Cn1cc(CC[N@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000226418811 656107474 /nfs/dbraw/zinc/10/74/74/656107474.db2.gz PUNMXDWVVQWTQH-UHFFFAOYSA-N 2 1 265.361 -0.674 20 0 CBADMP Cn1cc(CC[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000226418811 656107476 /nfs/dbraw/zinc/10/74/76/656107476.db2.gz PUNMXDWVVQWTQH-UHFFFAOYSA-N 2 1 265.361 -0.674 20 0 CBADMP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Cn1cccn1 ZINC000252545062 656122945 /nfs/dbraw/zinc/12/29/45/656122945.db2.gz IWUFIERNMAUTEY-BFHYXJOUSA-N 2 1 280.372 -0.303 20 0 CBADMP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)Cn1cccn1 ZINC000252545062 656122948 /nfs/dbraw/zinc/12/29/48/656122948.db2.gz IWUFIERNMAUTEY-BFHYXJOUSA-N 2 1 280.372 -0.303 20 0 CBADMP CC(C)[C@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262156537 656129316 /nfs/dbraw/zinc/12/93/16/656129316.db2.gz PMSQEZNOTDMMJU-ZDUSSCGKSA-N 2 1 282.388 -0.735 20 0 CBADMP CC(C)[C@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262156537 656129319 /nfs/dbraw/zinc/12/93/19/656129319.db2.gz PMSQEZNOTDMMJU-ZDUSSCGKSA-N 2 1 282.388 -0.735 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000310771519 656144033 /nfs/dbraw/zinc/14/40/33/656144033.db2.gz UGFMNPZIRBQHJF-NEPJUHHUSA-N 2 1 254.378 -0.524 20 0 CBADMP O[C@H](C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)C(F)(F)F ZINC000310750216 656144521 /nfs/dbraw/zinc/14/45/21/656144521.db2.gz KSLVKRJXAXNPIT-NXEZZACHSA-N 2 1 267.295 -0.111 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000311016203 656145138 /nfs/dbraw/zinc/14/51/38/656145138.db2.gz KUJUDAKTQPRHEE-AVGNSLFASA-N 2 1 259.394 -0.263 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000311156403 656145576 /nfs/dbraw/zinc/14/55/76/656145576.db2.gz OMAZSBGVGVMAAF-FRRDWIJNSA-N 2 1 259.394 -0.392 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000311601524 656146095 /nfs/dbraw/zinc/14/60/95/656146095.db2.gz TUBGZBZJSDGWAF-ZIAGYGMSSA-N 2 1 271.405 -0.389 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CCOCC1)CC1CC[NH+](C)CC1 ZINC000312149965 656146880 /nfs/dbraw/zinc/14/68/80/656146880.db2.gz MSUXOGKSXRZTID-OAHLLOKOSA-N 2 1 285.432 -0.047 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC000353428801 656162104 /nfs/dbraw/zinc/16/21/04/656162104.db2.gz FFDOASNGSLNSGX-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000353428801 656162108 /nfs/dbraw/zinc/16/21/08/656162108.db2.gz FFDOASNGSLNSGX-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000353428801 656162113 /nfs/dbraw/zinc/16/21/13/656162113.db2.gz FFDOASNGSLNSGX-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000353428801 656162119 /nfs/dbraw/zinc/16/21/19/656162119.db2.gz FFDOASNGSLNSGX-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP O=C1[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CCOCC1 ZINC000359307709 656164987 /nfs/dbraw/zinc/16/49/87/656164987.db2.gz OBYJICZUJYOSSZ-MBNYWOFBSA-N 2 1 279.384 -0.083 20 0 CBADMP C[N@H+]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000446374049 656171454 /nfs/dbraw/zinc/17/14/54/656171454.db2.gz DEZSLMIMWABQRS-UHFFFAOYSA-N 2 1 263.345 -0.167 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000702415513 656180599 /nfs/dbraw/zinc/18/05/99/656180599.db2.gz BMSPCKFIGOBGAS-AVGNSLFASA-N 2 1 268.405 -0.182 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000702424657 656181336 /nfs/dbraw/zinc/18/13/36/656181336.db2.gz ZCTOAGALRHJOFH-TUAOUCFPSA-N 2 1 254.378 -0.382 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702588970 656181968 /nfs/dbraw/zinc/18/19/68/656181968.db2.gz BHAIQARUIHCZAJ-KFWWJZLASA-N 2 1 285.432 -0.143 20 0 CBADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702598808 656182095 /nfs/dbraw/zinc/18/20/95/656182095.db2.gz HSFHKTZEZFAFNK-MDZLAQPJSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000702598808 656182097 /nfs/dbraw/zinc/18/20/97/656182097.db2.gz HSFHKTZEZFAFNK-MDZLAQPJSA-N 2 1 255.362 -0.300 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000703153691 656182899 /nfs/dbraw/zinc/18/28/99/656182899.db2.gz RCPYMTQHLFWJIF-KXNHARMFSA-N 2 1 269.345 -0.918 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC(C)([NH3+])CC1 ZINC000704513839 656184691 /nfs/dbraw/zinc/18/46/91/656184691.db2.gz WIAIZQASOMQKPW-LBPRGKRZSA-N 2 1 259.394 -0.261 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000705695498 656187065 /nfs/dbraw/zinc/18/70/65/656187065.db2.gz MITABIMEIXNZMY-ZDUSSCGKSA-N 2 1 257.378 -0.053 20 0 CBADMP CN(C[C@H](O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO)C1CC1 ZINC000709823314 656196366 /nfs/dbraw/zinc/19/63/66/656196366.db2.gz ALLXRBQINLUVKB-FPMFFAJLSA-N 2 1 272.389 -0.493 20 0 CBADMP CN(C[C@H](O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO)C1CC1 ZINC000709823314 656196367 /nfs/dbraw/zinc/19/63/67/656196367.db2.gz ALLXRBQINLUVKB-FPMFFAJLSA-N 2 1 272.389 -0.493 20 0 CBADMP OC[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2)[C@@H]1CO ZINC000709825989 656196447 /nfs/dbraw/zinc/19/64/47/656196447.db2.gz MCJAFIZPSQYCNW-MELADBBJSA-N 2 1 272.389 -0.492 20 0 CBADMP OC[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCCC2)[C@@H]1CO ZINC000709825989 656196450 /nfs/dbraw/zinc/19/64/50/656196450.db2.gz MCJAFIZPSQYCNW-MELADBBJSA-N 2 1 272.389 -0.492 20 0 CBADMP OC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)[C@@H]1CO ZINC000709825989 656196452 /nfs/dbraw/zinc/19/64/52/656196452.db2.gz MCJAFIZPSQYCNW-MELADBBJSA-N 2 1 272.389 -0.492 20 0 CBADMP OC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)[C@@H]1CO ZINC000709825989 656196453 /nfs/dbraw/zinc/19/64/53/656196453.db2.gz MCJAFIZPSQYCNW-MELADBBJSA-N 2 1 272.389 -0.492 20 0 CBADMP COC[C@]1(C(=O)N[C@H]2CCC[N@@H+](C)C2)C[NH2+]CCO1 ZINC000710755547 656200483 /nfs/dbraw/zinc/20/04/83/656200483.db2.gz PTZIWTJKWSDPRE-AAEUAGOBSA-N 2 1 271.361 -0.798 20 0 CBADMP COC[C@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000710741571 656200632 /nfs/dbraw/zinc/20/06/32/656200632.db2.gz HTNJLUDIZXSLOR-FZMZJTMJSA-N 2 1 283.372 -0.656 20 0 CBADMP COC[C@]1(C(=O)NC[C@H]2CC[N@@H+](C)C2)C[NH2+]CCO1 ZINC000710755088 656200991 /nfs/dbraw/zinc/20/09/91/656200991.db2.gz KZVDDPWCKSVNCY-YPMHNXCESA-N 2 1 271.361 -0.941 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711318196 656206909 /nfs/dbraw/zinc/20/69/09/656206909.db2.gz UNFYQIMRQXEGMA-RYUDHWBXSA-N 2 1 268.405 -0.406 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711318195 656207127 /nfs/dbraw/zinc/20/71/27/656207127.db2.gz UNFYQIMRQXEGMA-NWDGAFQWSA-N 2 1 268.405 -0.406 20 0 CBADMP C[N@H+]1CCN(C(=O)CNC(=O)C[NH3+])CCC1(C)C ZINC000712679427 656211258 /nfs/dbraw/zinc/21/12/58/656211258.db2.gz VAWNYRFHUUOTFL-UHFFFAOYSA-N 2 1 256.350 -0.996 20 0 CBADMP Cn1ncc(C[NH3+])c1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000719192300 656234538 /nfs/dbraw/zinc/23/45/38/656234538.db2.gz NIIBIEYAIZOZND-JTQLQIEISA-N 2 1 251.334 -0.297 20 0 CBADMP COCC[NH+](CCOC)CC(=O)NC1CC[NH+](C)CC1 ZINC000877915589 656248619 /nfs/dbraw/zinc/24/86/19/656248619.db2.gz WZLWNQASERNCDF-UHFFFAOYSA-N 2 1 287.404 -0.208 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000884640338 656253477 /nfs/dbraw/zinc/25/34/77/656253477.db2.gz BHWRDCRPRRDDRE-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC000884787536 656254819 /nfs/dbraw/zinc/25/48/19/656254819.db2.gz VFDJIHIZIQUOFG-LLVKDONJSA-N 2 1 284.404 -0.170 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884797756 656256172 /nfs/dbraw/zinc/25/61/72/656256172.db2.gz XAEHUHAMVBTOOI-SRVKXCTJSA-N 2 1 282.388 -0.737 20 0 CBADMP CNC(=O)NC[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000895565272 656280728 /nfs/dbraw/zinc/28/07/28/656280728.db2.gz QRKBREZBLWLCJA-ZDUSSCGKSA-N 2 1 284.404 -0.042 20 0 CBADMP CNC(=O)NC[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000895565272 656280732 /nfs/dbraw/zinc/28/07/32/656280732.db2.gz QRKBREZBLWLCJA-ZDUSSCGKSA-N 2 1 284.404 -0.042 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000897561192 656293375 /nfs/dbraw/zinc/29/33/75/656293375.db2.gz ZDTHNVVFJSPFAG-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000897561192 656293381 /nfs/dbraw/zinc/29/33/81/656293381.db2.gz ZDTHNVVFJSPFAG-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000897561035 656293725 /nfs/dbraw/zinc/29/37/25/656293725.db2.gz WFSKVJFGYBUPBX-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000897561035 656293729 /nfs/dbraw/zinc/29/37/29/656293729.db2.gz WFSKVJFGYBUPBX-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000900371997 656306819 /nfs/dbraw/zinc/30/68/19/656306819.db2.gz MLVHTMKFWVGSTI-ZKYQVNSYSA-N 2 1 267.373 -0.206 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000900371997 656306823 /nfs/dbraw/zinc/30/68/23/656306823.db2.gz MLVHTMKFWVGSTI-ZKYQVNSYSA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000900371997 656306826 /nfs/dbraw/zinc/30/68/26/656306826.db2.gz MLVHTMKFWVGSTI-ZKYQVNSYSA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000900371997 656306827 /nfs/dbraw/zinc/30/68/27/656306827.db2.gz MLVHTMKFWVGSTI-ZKYQVNSYSA-N 2 1 267.373 -0.206 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000900371995 656307271 /nfs/dbraw/zinc/30/72/71/656307271.db2.gz MLVHTMKFWVGSTI-QKCSRTOESA-N 2 1 267.373 -0.206 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000900371995 656307276 /nfs/dbraw/zinc/30/72/76/656307276.db2.gz MLVHTMKFWVGSTI-QKCSRTOESA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000900371995 656307280 /nfs/dbraw/zinc/30/72/80/656307280.db2.gz MLVHTMKFWVGSTI-QKCSRTOESA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000900371995 656307285 /nfs/dbraw/zinc/30/72/85/656307285.db2.gz MLVHTMKFWVGSTI-QKCSRTOESA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH2+]C[C@@](C)(O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507212 656321853 /nfs/dbraw/zinc/32/18/53/656321853.db2.gz RCTHGJKPNOHRIJ-OWCLPIDISA-N 3 1 296.459 -0.143 20 0 CBADMP C[NH2+]C[C@@](C)(O)CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903507212 656321857 /nfs/dbraw/zinc/32/18/57/656321857.db2.gz RCTHGJKPNOHRIJ-OWCLPIDISA-N 2 1 296.459 -0.143 20 0 CBADMP Cn1nnnc1CCC[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000903353122 656322175 /nfs/dbraw/zinc/32/21/75/656322175.db2.gz YXAWTHFSJWNJTB-WDEREUQCSA-N 2 1 250.350 -0.174 20 0 CBADMP Cn1nnnc1CCC[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000903353122 656322179 /nfs/dbraw/zinc/32/21/79/656322179.db2.gz YXAWTHFSJWNJTB-WDEREUQCSA-N 2 1 250.350 -0.174 20 0 CBADMP CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904320744 656324419 /nfs/dbraw/zinc/32/44/19/656324419.db2.gz NVSRKNKMPVXLBY-OUAUKWLOSA-N 2 1 261.391 -0.263 20 0 CBADMP NS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904320457 656324530 /nfs/dbraw/zinc/32/45/30/656324530.db2.gz HWVDOYYKWMSYLU-GARJFASQSA-N 2 1 261.391 -0.276 20 0 CBADMP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000904313062 656324551 /nfs/dbraw/zinc/32/45/51/656324551.db2.gz XAFWFBVESRGJLB-PHIMTYICSA-N 2 1 280.372 -0.854 20 0 CBADMP c1cc(N2CC[NH2+]CC2)oc1CNC[C@@H]1COCC[NH2+]1 ZINC000904380854 656326140 /nfs/dbraw/zinc/32/61/40/656326140.db2.gz IRGWEBWSDYMMCV-GFCCVEGCSA-N 2 1 280.372 -0.233 20 0 CBADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC[NH2+]1 ZINC000904429181 656326853 /nfs/dbraw/zinc/32/68/53/656326853.db2.gz YRUDBTYWHKEEDO-GRYCIOLGSA-N 2 1 275.418 -0.015 20 0 CBADMP CC1(C)C[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904461417 656327811 /nfs/dbraw/zinc/32/78/11/656327811.db2.gz JJTCDEGSWXZNAB-RYUDHWBXSA-N 3 1 268.405 -0.229 20 0 CBADMP CC1(C)C[NH2+]C[C@H]1[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904461419 656328027 /nfs/dbraw/zinc/32/80/27/656328027.db2.gz JJTCDEGSWXZNAB-VXGBXAGGSA-N 3 1 268.405 -0.229 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])C[C@]2(C)C1 ZINC000904958154 656330868 /nfs/dbraw/zinc/33/08/68/656330868.db2.gz FENLRMDQZCNWCO-JMSVASOKSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC000905110819 656339620 /nfs/dbraw/zinc/33/96/20/656339620.db2.gz OSRMUKKWYMXEHN-GFCCVEGCSA-N 2 1 285.388 -0.984 20 0 CBADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)C2(O)CCC2)CC1(C)C ZINC000905245024 656346645 /nfs/dbraw/zinc/34/66/45/656346645.db2.gz BHIAKEKMPBJJMD-ZDUSSCGKSA-N 2 1 285.432 -0.122 20 0 CBADMP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)C1(O)CCC1 ZINC000905340947 656350041 /nfs/dbraw/zinc/35/00/41/656350041.db2.gz KFXKTNNVRJJTAP-ZDUSSCGKSA-N 2 1 272.389 -0.301 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000905347882 656351867 /nfs/dbraw/zinc/35/18/67/656351867.db2.gz SVCFMFZKOSPOGN-UHFFFAOYSA-N 2 1 268.405 -0.310 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905352477 656352638 /nfs/dbraw/zinc/35/26/38/656352638.db2.gz DHXLSGKMHBWSSJ-NEPJUHHUSA-N 2 1 260.378 -0.398 20 0 CBADMP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905365337 656354402 /nfs/dbraw/zinc/35/44/02/656354402.db2.gz OICFPKWLTCQTQK-OLZOCXBDSA-N 2 1 274.405 -0.055 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC[C@@H](O)[C@@H](O)CC1)C1CC1 ZINC000905465373 656358724 /nfs/dbraw/zinc/35/87/24/656358724.db2.gz LCPWDWCMYUMHTO-RUZUBIRVSA-N 2 1 272.389 -0.305 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC[C@@H](O)[C@@H](O)CC1)C1CC1 ZINC000905465373 656358726 /nfs/dbraw/zinc/35/87/26/656358726.db2.gz LCPWDWCMYUMHTO-RUZUBIRVSA-N 2 1 272.389 -0.305 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@H]2CC[NH+](C)C2)C1 ZINC000906358357 656385722 /nfs/dbraw/zinc/38/57/22/656385722.db2.gz HMKUYPSDZCOZHN-GFCCVEGCSA-N 2 1 268.405 -0.452 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000906358357 656385726 /nfs/dbraw/zinc/38/57/26/656385726.db2.gz HMKUYPSDZCOZHN-GFCCVEGCSA-N 2 1 268.405 -0.452 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000906358357 656385728 /nfs/dbraw/zinc/38/57/28/656385728.db2.gz HMKUYPSDZCOZHN-GFCCVEGCSA-N 2 1 268.405 -0.452 20 0 CBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000906785852 656400716 /nfs/dbraw/zinc/40/07/16/656400716.db2.gz QDOWJGFFWQKONJ-LBPRGKRZSA-N 2 1 276.340 -0.096 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996300192 656407503 /nfs/dbraw/zinc/40/75/03/656407503.db2.gz KDLDJBBHLFQFHG-NWDGAFQWSA-N 2 1 296.415 -0.360 20 0 CBADMP CC1(C)CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCO ZINC000996413217 656410120 /nfs/dbraw/zinc/41/01/20/656410120.db2.gz ACFKQTHFSXAEKT-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@H]1CN(C)CCO1 ZINC000907071392 656419619 /nfs/dbraw/zinc/41/96/19/656419619.db2.gz QMTZPAFJERGRAT-GXTWGEPZSA-N 2 1 298.431 -0.685 20 0 CBADMP C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@H]1CN(C)CCO1 ZINC000907071395 656419959 /nfs/dbraw/zinc/41/99/59/656419959.db2.gz QMTZPAFJERGRAT-TZMCWYRMSA-N 2 1 298.431 -0.685 20 0 CBADMP O=C([C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC([NH2+]CCO)CC1 ZINC000996619011 656447458 /nfs/dbraw/zinc/44/74/58/656447458.db2.gz JCUPSFNNIBPOKO-UONOGXRCSA-N 2 1 297.399 -0.578 20 0 CBADMP C[N@@H+](CC(=O)N1CCC([NH2+]CC(N)=O)CC1)C1CCC1 ZINC000996665676 656450668 /nfs/dbraw/zinc/45/06/68/656450668.db2.gz ONUVSBKVEVCJAO-UHFFFAOYSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996716172 656454760 /nfs/dbraw/zinc/45/47/60/656454760.db2.gz IWEUXRFVHFBBKO-OUCADQQQSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996716172 656454765 /nfs/dbraw/zinc/45/47/65/656454765.db2.gz IWEUXRFVHFBBKO-OUCADQQQSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@H]([NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1)C(N)=O ZINC000997008003 656463489 /nfs/dbraw/zinc/46/34/89/656463489.db2.gz SVSWAPVATGKIHB-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000997300523 656472491 /nfs/dbraw/zinc/47/24/91/656472491.db2.gz WNSXDPPHLMQSKZ-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC000997308804 656472894 /nfs/dbraw/zinc/47/28/94/656472894.db2.gz HWHMZMWWXHLXSJ-SNVBAGLBSA-N 2 1 293.371 -0.354 20 0 CBADMP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](CCO)CC1 ZINC000997530269 656485210 /nfs/dbraw/zinc/48/52/10/656485210.db2.gz IYYNEMNPABZKNO-JSGCOSHPSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCO)CC1 ZINC000997530269 656485213 /nfs/dbraw/zinc/48/52/13/656485213.db2.gz IYYNEMNPABZKNO-JSGCOSHPSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCO ZINC000907543318 656523351 /nfs/dbraw/zinc/52/33/51/656523351.db2.gz CXPMZQBZZAZADE-GFCCVEGCSA-N 2 1 267.373 -0.393 20 0 CBADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCO ZINC000907543318 656523357 /nfs/dbraw/zinc/52/33/57/656523357.db2.gz CXPMZQBZZAZADE-GFCCVEGCSA-N 2 1 267.373 -0.393 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCN1CCCOCC1 ZINC000907614410 656540897 /nfs/dbraw/zinc/54/08/97/656540897.db2.gz YCVIUQIIUVMAGO-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCC[C@@](O)(CC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000907618186 656541888 /nfs/dbraw/zinc/54/18/88/656541888.db2.gz UEKGOPRGYAHVKH-OAHLLOKOSA-N 2 1 299.415 -0.328 20 0 CBADMP C[NH+]1CC2(C1)CCN(C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)C2 ZINC000907762551 656569747 /nfs/dbraw/zinc/56/97/47/656569747.db2.gz FRHHHXKHZVHNSH-YPMHNXCESA-N 2 1 267.373 -0.394 20 0 CBADMP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000907762837 656571181 /nfs/dbraw/zinc/57/11/81/656571181.db2.gz GCAVIBKVWKABIZ-FZMZJTMJSA-N 2 1 293.371 -0.487 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000907762837 656571189 /nfs/dbraw/zinc/57/11/89/656571189.db2.gz GCAVIBKVWKABIZ-FZMZJTMJSA-N 2 1 293.371 -0.487 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000998734579 656576508 /nfs/dbraw/zinc/57/65/08/656576508.db2.gz XPIIYTGMGFJYDE-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCF)C2)C1 ZINC000998826605 656588216 /nfs/dbraw/zinc/58/82/16/656588216.db2.gz PJXGYMGXORLZFE-RYUDHWBXSA-N 2 1 273.352 -0.133 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCF)C2)C1 ZINC000998826605 656588236 /nfs/dbraw/zinc/58/82/36/656588236.db2.gz PJXGYMGXORLZFE-RYUDHWBXSA-N 2 1 273.352 -0.133 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CCO)C2)C1 ZINC000999292718 656620009 /nfs/dbraw/zinc/62/00/09/656620009.db2.gz FOECDBHKSCEAFK-JXQTWKCFSA-N 2 1 299.415 -0.333 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CCO)C2)C1 ZINC000999292718 656620013 /nfs/dbraw/zinc/62/00/13/656620013.db2.gz FOECDBHKSCEAFK-JXQTWKCFSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC000999363345 656625202 /nfs/dbraw/zinc/62/52/02/656625202.db2.gz GONBEHBKPXPBNT-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)N2CCC[C@H]([NH2+]CCO)C2)no1 ZINC000999560748 656632962 /nfs/dbraw/zinc/63/29/62/656632962.db2.gz LFJYLWFPKQXZLX-NSHDSACASA-N 2 1 296.371 -0.077 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC000999715910 656647618 /nfs/dbraw/zinc/64/76/18/656647618.db2.gz YEDKGBQRQKEGHP-NEPJUHHUSA-N 2 1 293.371 -0.354 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CCO)C2)C1 ZINC000999864357 656661124 /nfs/dbraw/zinc/66/11/24/656661124.db2.gz XHQPTVFUGGYWJU-WXRRBKDZSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CCO)C2)C1 ZINC000999864357 656661132 /nfs/dbraw/zinc/66/11/32/656661132.db2.gz XHQPTVFUGGYWJU-WXRRBKDZSA-N 2 1 285.388 -0.722 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000908204308 656671538 /nfs/dbraw/zinc/67/15/38/656671538.db2.gz GOMMFQDNAJLQKZ-AWEZNQCLSA-N 2 1 298.431 -0.947 20 0 CBADMP C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000908205305 656671970 /nfs/dbraw/zinc/67/19/70/656671970.db2.gz NLMJLKQMVJKQAL-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001000191599 656699683 /nfs/dbraw/zinc/69/96/83/656699683.db2.gz JXPBTDSJUSMWFM-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000192524 656701648 /nfs/dbraw/zinc/70/16/48/656701648.db2.gz MQTAMDZHEFJYFT-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000198858 656703695 /nfs/dbraw/zinc/70/36/95/656703695.db2.gz LMPNWRUUTBKYSX-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000908334128 656707708 /nfs/dbraw/zinc/70/77/08/656707708.db2.gz IWVBODWDQDFEHN-ZFWWWQNUSA-N 2 1 297.399 -0.768 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000908334128 656707711 /nfs/dbraw/zinc/70/77/11/656707711.db2.gz IWVBODWDQDFEHN-ZFWWWQNUSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000908414690 656720899 /nfs/dbraw/zinc/72/08/99/656720899.db2.gz KRGDNLLYCRPTTG-GFQSEFKGSA-N 2 1 269.389 -0.008 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000687715 656759755 /nfs/dbraw/zinc/75/97/55/656759755.db2.gz HMPKOMLQPDHLNQ-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP 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 656784309 /nfs/dbraw/zinc/78/43/09/656784309.db2.gz OOADWPXKVBDQAA-ROEYZRMQSA-N 2 1 267.373 -0.540 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CC[NH+](CCO)CC1 ZINC001001151132 656801086 /nfs/dbraw/zinc/80/10/86/656801086.db2.gz LCWZJFCRQMWWHM-GXTWGEPZSA-N 2 1 281.400 -0.075 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCC1=CC[N@H+](CCO)CC1 ZINC001001151132 656801089 /nfs/dbraw/zinc/80/10/89/656801089.db2.gz LCWZJFCRQMWWHM-GXTWGEPZSA-N 2 1 281.400 -0.075 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001001151132 656801091 /nfs/dbraw/zinc/80/10/91/656801091.db2.gz LCWZJFCRQMWWHM-GXTWGEPZSA-N 2 1 281.400 -0.075 20 0 CBADMP COC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002536376 656835951 /nfs/dbraw/zinc/83/59/51/656835951.db2.gz RBVNKVIVUUEKOU-GXTWGEPZSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002536376 656835955 /nfs/dbraw/zinc/83/59/55/656835955.db2.gz RBVNKVIVUUEKOU-GXTWGEPZSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001003483575 656859627 /nfs/dbraw/zinc/85/96/27/656859627.db2.gz TZYIBDJDKZTZCT-CQSZACIVSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001003483575 656859630 /nfs/dbraw/zinc/85/96/30/656859630.db2.gz TZYIBDJDKZTZCT-CQSZACIVSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003544630 656862675 /nfs/dbraw/zinc/86/26/75/656862675.db2.gz RGEAYZVVTGAYJF-LLVKDONJSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CCO)CC1 ZINC001003636855 656865885 /nfs/dbraw/zinc/86/58/85/656865885.db2.gz XNWWQBPDEZFVPP-AAEUAGOBSA-N 2 1 269.389 -0.243 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000910608782 656878188 /nfs/dbraw/zinc/87/81/88/656878188.db2.gz CXKLUCUTLMQQDM-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000910608782 656878190 /nfs/dbraw/zinc/87/81/90/656878190.db2.gz CXKLUCUTLMQQDM-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP O=C(C[NH+]1CCCC1)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001004147568 656881128 /nfs/dbraw/zinc/88/11/28/656881128.db2.gz LMGUZLNLHJIVTH-CYBMUJFWSA-N 2 1 294.399 -0.449 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004147036 656881263 /nfs/dbraw/zinc/88/12/63/656881263.db2.gz CJRQFLHVZWIPAP-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001004144923 656881811 /nfs/dbraw/zinc/88/18/11/656881811.db2.gz REWCSANQOQTSQF-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001004144923 656881812 /nfs/dbraw/zinc/88/18/12/656881812.db2.gz REWCSANQOQTSQF-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004145872 656881834 /nfs/dbraw/zinc/88/18/34/656881834.db2.gz WKPYSMXOZDNYQY-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004145872 656881835 /nfs/dbraw/zinc/88/18/35/656881835.db2.gz WKPYSMXOZDNYQY-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000910675966 656883442 /nfs/dbraw/zinc/88/34/42/656883442.db2.gz YZNHCGHKNNTVGJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000910675966 656883444 /nfs/dbraw/zinc/88/34/44/656883444.db2.gz YZNHCGHKNNTVGJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001005180641 656894749 /nfs/dbraw/zinc/89/47/49/656894749.db2.gz ULSRFSVOHHUIAG-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001005180641 656894752 /nfs/dbraw/zinc/89/47/52/656894752.db2.gz ULSRFSVOHHUIAG-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000911006625 656928214 /nfs/dbraw/zinc/92/82/14/656928214.db2.gz GFRZISDEQLWCKK-SDDRHHMPSA-N 2 1 282.388 -0.465 20 0 CBADMP 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 656928426 /nfs/dbraw/zinc/92/84/26/656928426.db2.gz IXSCHEDDZWFYIR-FPYNETTCSA-N 2 1 294.399 -0.406 20 0 CBADMP 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 656928593 /nfs/dbraw/zinc/92/85/93/656928593.db2.gz IXSCHEDDZWFYIR-KSSYENDESA-N 2 1 294.399 -0.406 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC[N@H+]1C ZINC000911006170 656929146 /nfs/dbraw/zinc/92/91/46/656929146.db2.gz DJFKKEPOVFSACI-IJLUTSLNSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911030108 656934650 /nfs/dbraw/zinc/93/46/50/656934650.db2.gz QJKPJTBZGVUCNZ-VXGBXAGGSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001005996748 656935863 /nfs/dbraw/zinc/93/58/63/656935863.db2.gz MSQKFHQMYZQUBA-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001005996748 656935868 /nfs/dbraw/zinc/93/58/68/656935868.db2.gz MSQKFHQMYZQUBA-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC1 ZINC000911058473 656938591 /nfs/dbraw/zinc/93/85/91/656938591.db2.gz AACMKTHAGJJMHD-ADEWGFFLSA-N 2 1 280.372 -0.794 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000911073169 656940951 /nfs/dbraw/zinc/94/09/51/656940951.db2.gz QQEAEHHFFGDHRC-WOPDTQHZSA-N 2 1 294.399 -0.689 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001006399472 656946526 /nfs/dbraw/zinc/94/65/26/656946526.db2.gz KYDOMCLRVGGFHK-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006399472 656946531 /nfs/dbraw/zinc/94/65/31/656946531.db2.gz KYDOMCLRVGGFHK-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911095303 656946971 /nfs/dbraw/zinc/94/69/71/656946971.db2.gz BNVLDFVAYNPXKH-LBPRGKRZSA-N 2 1 293.371 -0.352 20 0 CBADMP C[NH2+]CCN(C(=O)C(=O)NCCn1cc[nH+]c1C)C(C)C ZINC000911137712 656960223 /nfs/dbraw/zinc/96/02/23/656960223.db2.gz GIQVODQKLYFTBF-UHFFFAOYSA-N 2 1 295.387 -0.236 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000911147758 656962958 /nfs/dbraw/zinc/96/29/58/656962958.db2.gz SNCIVOOYXUQZDC-LYIQGSDWSA-N 2 1 294.399 -0.691 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)C1CC1 ZINC000911185958 656976058 /nfs/dbraw/zinc/97/60/58/656976058.db2.gz DHNMJDUKTKOTNO-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CC1)C1CC1 ZINC000911185657 656976229 /nfs/dbraw/zinc/97/62/29/656976229.db2.gz BFZUPYFTASCZNV-UHFFFAOYSA-N 2 1 268.361 -0.806 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911188250 656977268 /nfs/dbraw/zinc/97/72/68/656977268.db2.gz SHDFKHRSJOGJKC-JTQLQIEISA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)C1CC1 ZINC000911189263 656977732 /nfs/dbraw/zinc/97/77/32/656977732.db2.gz ZWJVXQRUDFLQJB-LBPRGKRZSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000911199138 656981323 /nfs/dbraw/zinc/98/13/23/656981323.db2.gz AGVIQZNYINAMED-SGMGOOAPSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000911199138 656981331 /nfs/dbraw/zinc/98/13/31/656981331.db2.gz AGVIQZNYINAMED-SGMGOOAPSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000911199138 656981341 /nfs/dbraw/zinc/98/13/41/656981341.db2.gz AGVIQZNYINAMED-SGMGOOAPSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)[N@@H+](C)C1CC1 ZINC000911204425 656984269 /nfs/dbraw/zinc/98/42/69/656984269.db2.gz COGYEQDFEJRYAL-ZYHUDNBSSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[N@@H+](C)C1CC1 ZINC000911205536 656984328 /nfs/dbraw/zinc/98/43/28/656984328.db2.gz NBSLYMCVIBCVEN-GMTAPVOTSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000911216396 656988412 /nfs/dbraw/zinc/98/84/12/656988412.db2.gz ZCXVXCQOCNUWBL-NTZNESFSSA-N 2 1 294.399 -0.608 20 0 CBADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC000911217369 656989729 /nfs/dbraw/zinc/98/97/29/656989729.db2.gz BGALRUYXKXKOSR-NTZNESFSSA-N 2 1 294.399 -0.441 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000911222278 656990558 /nfs/dbraw/zinc/99/05/58/656990558.db2.gz BYTWKXKMVZAHJO-NSHDSACASA-N 2 1 280.372 -0.806 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CC1)C1CCCC1 ZINC000911235327 656993141 /nfs/dbraw/zinc/99/31/41/656993141.db2.gz CAVZXBSLNXJIHR-UHFFFAOYSA-N 2 1 282.388 -0.416 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911254446 656997870 /nfs/dbraw/zinc/99/78/70/656997870.db2.gz FQIGMNRHOPJDBV-OLZOCXBDSA-N 2 1 298.431 -0.194 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911259211 657000935 /nfs/dbraw/zinc/00/09/35/657000935.db2.gz WAQYEPUKXVSDHG-LLVKDONJSA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC[NH3+] ZINC000911267653 657003525 /nfs/dbraw/zinc/00/35/25/657003525.db2.gz RGXRIMOAQOSQLZ-NSHDSACASA-N 2 1 270.377 -0.750 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC[NH3+] ZINC000911267653 657003533 /nfs/dbraw/zinc/00/35/33/657003533.db2.gz RGXRIMOAQOSQLZ-NSHDSACASA-N 2 1 270.377 -0.750 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000911269701 657003935 /nfs/dbraw/zinc/00/39/35/657003935.db2.gz OGPBBRPKFPIKJK-WDEREUQCSA-N 2 1 280.372 -0.663 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000911275845 657006434 /nfs/dbraw/zinc/00/64/34/657006434.db2.gz ZNKKOZXQMVPBMJ-LLVKDONJSA-N 2 1 282.388 -0.687 20 0 CBADMP Cc1ccc(NCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[nH+]c1 ZINC000911275534 657006559 /nfs/dbraw/zinc/00/65/59/657006559.db2.gz XDSQNBJMHAMYIY-LLVKDONJSA-N 2 1 291.355 -0.604 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CC(N)=O)C2)CC[N@H+]1C ZINC001007370583 657007696 /nfs/dbraw/zinc/00/76/96/657007696.db2.gz BUYBQZWRAYACCZ-IJLUTSLNSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCC[NH2+]C3CC3)C[C@]2(C)C1 ZINC000911283530 657009952 /nfs/dbraw/zinc/00/99/52/657009952.db2.gz IKQGYIRVCOPXBE-ABAIWWIYSA-N 2 1 294.399 -0.735 20 0 CBADMP Cc1ccc(NCCNC(=O)C(=O)NC2C[NH2+]C2)[nH+]c1 ZINC000911287809 657011326 /nfs/dbraw/zinc/01/13/26/657011326.db2.gz IWIQVQGJVACJQQ-UHFFFAOYSA-N 2 1 277.328 -0.994 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CCC3)C[C@]2(C)C1 ZINC000911302904 657015444 /nfs/dbraw/zinc/01/54/44/657015444.db2.gz LRJDYRXHXNYWAO-RISCZKNCSA-N 2 1 294.399 -0.606 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000911302328 657015546 /nfs/dbraw/zinc/01/55/46/657015546.db2.gz JXWRRZYXMVGNCM-RMRHIDDWSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)[C@@H]2C1 ZINC000911302328 657015549 /nfs/dbraw/zinc/01/55/49/657015549.db2.gz JXWRRZYXMVGNCM-RMRHIDDWSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)[C@@H]2C1 ZINC000911302328 657015560 /nfs/dbraw/zinc/01/55/60/657015560.db2.gz JXWRRZYXMVGNCM-RMRHIDDWSA-N 2 1 281.400 -0.006 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000911324528 657020513 /nfs/dbraw/zinc/02/05/13/657020513.db2.gz DZOXABUYEKXTIG-VXGBXAGGSA-N 2 1 294.399 -0.273 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000911324525 657020589 /nfs/dbraw/zinc/02/05/89/657020589.db2.gz DZOXABUYEKXTIG-NEPJUHHUSA-N 2 1 294.399 -0.273 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911335899 657022761 /nfs/dbraw/zinc/02/27/61/657022761.db2.gz CIOLNMHCPBNEMQ-SRVKXCTJSA-N 2 1 282.388 -0.560 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000911336074 657022776 /nfs/dbraw/zinc/02/27/76/657022776.db2.gz DZLOBMWOQRIAPH-IJLUTSLNSA-N 2 1 282.388 -0.608 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911339695 657023891 /nfs/dbraw/zinc/02/38/91/657023891.db2.gz WUIXMBDTEVZOJT-NSHDSACASA-N 2 1 284.404 -0.441 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000911339688 657023934 /nfs/dbraw/zinc/02/39/34/657023934.db2.gz WSAGWWWHYYANTL-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000911339688 657023938 /nfs/dbraw/zinc/02/39/38/657023938.db2.gz WSAGWWWHYYANTL-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP 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 657028898 /nfs/dbraw/zinc/02/88/98/657028898.db2.gz BYWOCDHBPNUXPN-XQHKEYJVSA-N 2 1 296.415 -0.491 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911373852 657029666 /nfs/dbraw/zinc/02/96/66/657029666.db2.gz BERLVBWQJXRYBE-FRRDWIJNSA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911373266 657030082 /nfs/dbraw/zinc/03/00/82/657030082.db2.gz AZXQWWWNRKTTMO-JHJVBQTASA-N 2 1 296.415 -0.491 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911373266 657030087 /nfs/dbraw/zinc/03/00/87/657030087.db2.gz AZXQWWWNRKTTMO-JHJVBQTASA-N 2 1 296.415 -0.491 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000911375259 657031202 /nfs/dbraw/zinc/03/12/02/657031202.db2.gz TXSLWDOBGDIQGF-RAIGVLPGSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000911382022 657033001 /nfs/dbraw/zinc/03/30/01/657033001.db2.gz DCNLWQZFEPELDT-NEPJUHHUSA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000911382022 657033005 /nfs/dbraw/zinc/03/30/05/657033005.db2.gz DCNLWQZFEPELDT-NEPJUHHUSA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001008543507 657050085 /nfs/dbraw/zinc/05/00/85/657050085.db2.gz WPFFFKUZBYWASA-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001008543507 657050088 /nfs/dbraw/zinc/05/00/88/657050088.db2.gz WPFFFKUZBYWASA-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001008543507 657050082 /nfs/dbraw/zinc/05/00/82/657050082.db2.gz WPFFFKUZBYWASA-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503960 657057831 /nfs/dbraw/zinc/05/78/31/657057831.db2.gz RPBHSLPTYZSGSS-LLVKDONJSA-N 2 1 282.388 -0.465 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CC1)C(C)C ZINC000911504305 657058356 /nfs/dbraw/zinc/05/83/56/657058356.db2.gz IYWVOAIHXFIURD-UHFFFAOYSA-N 2 1 270.377 -0.560 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])CC3)CC[C@H]21 ZINC000911504728 657058513 /nfs/dbraw/zinc/05/85/13/657058513.db2.gz NNLPHRYTCKUBEO-NWDGAFQWSA-N 2 1 294.399 -0.463 20 0 CBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911504543 657058756 /nfs/dbraw/zinc/05/87/56/657058756.db2.gz KVUABGOQCRRPEN-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911527634 657067178 /nfs/dbraw/zinc/06/71/78/657067178.db2.gz JAPMLHOFCCXDSC-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911528770 657068252 /nfs/dbraw/zinc/06/82/52/657068252.db2.gz RJZWAQMRSHSLBG-MNOVXSKESA-N 2 1 282.388 -0.689 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911528769 657068309 /nfs/dbraw/zinc/06/83/09/657068309.db2.gz RJZWAQMRSHSLBG-GHMZBOCLSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911529673 657068341 /nfs/dbraw/zinc/06/83/41/657068341.db2.gz FNRVJHDQGBVXQH-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911536800 657071040 /nfs/dbraw/zinc/07/10/40/657071040.db2.gz BHKCJGJSHZKGCX-UMSGYPCISA-N 2 1 294.399 -0.404 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911543671 657073636 /nfs/dbraw/zinc/07/36/36/657073636.db2.gz YXLJQCPRXPRMSY-IRCOFANPSA-N 2 1 280.372 -0.794 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC001009507899 657076459 /nfs/dbraw/zinc/07/64/59/657076459.db2.gz INZYKNGMYKTVSA-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC001009507899 657076467 /nfs/dbraw/zinc/07/64/67/657076467.db2.gz INZYKNGMYKTVSA-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC001009507899 657076470 /nfs/dbraw/zinc/07/64/70/657076470.db2.gz INZYKNGMYKTVSA-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009516111 657077648 /nfs/dbraw/zinc/07/76/48/657077648.db2.gz MMTHJOZEQCMFAZ-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009516111 657077654 /nfs/dbraw/zinc/07/76/54/657077654.db2.gz MMTHJOZEQCMFAZ-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001009516111 657077660 /nfs/dbraw/zinc/07/76/60/657077660.db2.gz MMTHJOZEQCMFAZ-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009516111 657077666 /nfs/dbraw/zinc/07/76/66/657077666.db2.gz MMTHJOZEQCMFAZ-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911562401 657079065 /nfs/dbraw/zinc/07/90/65/657079065.db2.gz BGUAZLIZFCESGP-XYPYZODXSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911564979 657079810 /nfs/dbraw/zinc/07/98/10/657079810.db2.gz XMVCSPLQAWBRSL-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[C@@H]1C ZINC000911564413 657080734 /nfs/dbraw/zinc/08/07/34/657080734.db2.gz YNCIVOYYFDIRCF-CYDGBPFRSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[C@@H]1C ZINC000911564413 657080739 /nfs/dbraw/zinc/08/07/39/657080739.db2.gz YNCIVOYYFDIRCF-CYDGBPFRSA-N 2 1 296.415 -0.219 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])CC2 ZINC000911875208 657152177 /nfs/dbraw/zinc/15/21/77/657152177.db2.gz LQWKAGHYDKTTAD-JSGCOSHPSA-N 2 1 291.399 -0.145 20 0 CBADMP Cc1sc(C[NH3+])nc1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911879636 657154253 /nfs/dbraw/zinc/15/42/53/657154253.db2.gz OUPPNYGOLSCROS-SECBINFHSA-N 2 1 283.401 -0.375 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCO)C1 ZINC001010383337 657172445 /nfs/dbraw/zinc/17/24/45/657172445.db2.gz UUUVNYMQOCRMBZ-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001010383337 657172451 /nfs/dbraw/zinc/17/24/51/657172451.db2.gz UUUVNYMQOCRMBZ-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001010383337 657172457 /nfs/dbraw/zinc/17/24/57/657172457.db2.gz UUUVNYMQOCRMBZ-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010429292 657185316 /nfs/dbraw/zinc/18/53/16/657185316.db2.gz UFCVLSFHPVDOOY-VXGBXAGGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010429292 657185321 /nfs/dbraw/zinc/18/53/21/657185321.db2.gz UFCVLSFHPVDOOY-VXGBXAGGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010429292 657185327 /nfs/dbraw/zinc/18/53/27/657185327.db2.gz UFCVLSFHPVDOOY-VXGBXAGGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010429292 657185338 /nfs/dbraw/zinc/18/53/38/657185338.db2.gz UFCVLSFHPVDOOY-VXGBXAGGSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CCO)CC[N@H+]1C ZINC000912599554 657289225 /nfs/dbraw/zinc/28/92/25/657289225.db2.gz OHCYXWWUXMGMKV-VXGBXAGGSA-N 2 1 257.378 -0.291 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CCO)CC[NH+]1C ZINC000912599554 657289229 /nfs/dbraw/zinc/28/92/29/657289229.db2.gz OHCYXWWUXMGMKV-VXGBXAGGSA-N 2 1 257.378 -0.291 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CCO)CC[NH+]1C ZINC000912599554 657289232 /nfs/dbraw/zinc/28/92/32/657289232.db2.gz OHCYXWWUXMGMKV-VXGBXAGGSA-N 2 1 257.378 -0.291 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)c1ccnn1CC[NH+](C)C ZINC000912600230 657292820 /nfs/dbraw/zinc/29/28/20/657292820.db2.gz WVEMNEMTEOAXKT-UHFFFAOYSA-N 2 1 297.403 -0.559 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC[NH2+]1 ZINC000912766055 657340809 /nfs/dbraw/zinc/34/08/09/657340809.db2.gz OVKQGWYMBJBTNN-SGMGOOAPSA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCC2)C1)N1CC[NH+](C)CC1 ZINC000912915846 657358272 /nfs/dbraw/zinc/35/82/72/657358272.db2.gz KEZHMGYDBRJVBN-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP C[N@H+]1CCC[C@](O)(CC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000913171310 657391459 /nfs/dbraw/zinc/39/14/59/657391459.db2.gz JHGUZFLGPWLRST-OCCSQVGLSA-N 2 1 285.388 -0.984 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000913178067 657394168 /nfs/dbraw/zinc/39/41/68/657394168.db2.gz BQTKYLUXNTXDIS-ZFWWWQNUSA-N 2 1 297.399 -0.530 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000913178067 657394174 /nfs/dbraw/zinc/39/41/74/657394174.db2.gz BQTKYLUXNTXDIS-ZFWWWQNUSA-N 2 1 297.399 -0.530 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)C12CC[NH+](CC1)C2 ZINC000913351664 657444730 /nfs/dbraw/zinc/44/47/30/657444730.db2.gz KKYUMYZFRVBUCK-NSHDSACASA-N 2 1 253.346 -0.735 20 0 CBADMP CNC(=O)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000913390923 657447645 /nfs/dbraw/zinc/44/76/45/657447645.db2.gz QZDADCFCDOGVGV-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000913426950 657449388 /nfs/dbraw/zinc/44/93/88/657449388.db2.gz HHQJSCOYXGDEMK-HUBLWGQQSA-N 2 1 299.415 -0.597 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000913426950 657449396 /nfs/dbraw/zinc/44/93/96/657449396.db2.gz HHQJSCOYXGDEMK-HUBLWGQQSA-N 2 1 299.415 -0.597 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000913426950 657449405 /nfs/dbraw/zinc/44/94/05/657449405.db2.gz HHQJSCOYXGDEMK-HUBLWGQQSA-N 2 1 299.415 -0.597 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000913426950 657449410 /nfs/dbraw/zinc/44/94/10/657449410.db2.gz HHQJSCOYXGDEMK-HUBLWGQQSA-N 2 1 299.415 -0.597 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001015649633 657503756 /nfs/dbraw/zinc/50/37/56/657503756.db2.gz WPEJKZICEPQCRP-QWHCGFSZSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001015649633 657503767 /nfs/dbraw/zinc/50/37/67/657503767.db2.gz WPEJKZICEPQCRP-QWHCGFSZSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015650996 657503841 /nfs/dbraw/zinc/50/38/41/657503841.db2.gz AHJYYCAQULWWEL-CMPLNLGQSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015650996 657503845 /nfs/dbraw/zinc/50/38/45/657503845.db2.gz AHJYYCAQULWWEL-CMPLNLGQSA-N 2 1 282.388 -0.608 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001015654634 657505612 /nfs/dbraw/zinc/50/56/12/657505612.db2.gz BSUPXJIAQLOQHH-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001015796336 657551401 /nfs/dbraw/zinc/55/14/01/657551401.db2.gz KQHPMMJXOBRYOZ-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](C(=O)NC12CC[NH+](CC1)C2)N1CC[NH+](C)CC1 ZINC000913629890 657570577 /nfs/dbraw/zinc/57/05/77/657570577.db2.gz QMRVPWKIQQXHDF-LBPRGKRZSA-N 2 1 266.389 -0.413 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015995447 657626606 /nfs/dbraw/zinc/62/66/06/657626606.db2.gz VILHSVJRPJPLJY-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015995447 657626612 /nfs/dbraw/zinc/62/66/12/657626612.db2.gz VILHSVJRPJPLJY-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015995447 657626623 /nfs/dbraw/zinc/62/66/23/657626623.db2.gz VILHSVJRPJPLJY-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015995447 657626629 /nfs/dbraw/zinc/62/66/29/657626629.db2.gz VILHSVJRPJPLJY-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016001762 657627170 /nfs/dbraw/zinc/62/71/70/657627170.db2.gz MOVMHFGMYZMHJQ-LBPRGKRZSA-N 2 1 294.399 -0.639 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016001762 657627184 /nfs/dbraw/zinc/62/71/84/657627184.db2.gz MOVMHFGMYZMHJQ-LBPRGKRZSA-N 2 1 294.399 -0.639 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015995446 657627927 /nfs/dbraw/zinc/62/79/27/657627927.db2.gz VILHSVJRPJPLJY-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015995446 657627932 /nfs/dbraw/zinc/62/79/32/657627932.db2.gz VILHSVJRPJPLJY-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015995446 657627941 /nfs/dbraw/zinc/62/79/41/657627941.db2.gz VILHSVJRPJPLJY-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015995446 657627945 /nfs/dbraw/zinc/62/79/45/657627945.db2.gz VILHSVJRPJPLJY-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003590 657628601 /nfs/dbraw/zinc/62/86/01/657628601.db2.gz KMFJBJLFBIXNNB-VXGBXAGGSA-N 2 1 294.399 -0.593 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003590 657628603 /nfs/dbraw/zinc/62/86/03/657628603.db2.gz KMFJBJLFBIXNNB-VXGBXAGGSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001015997456 657629075 /nfs/dbraw/zinc/62/90/75/657629075.db2.gz CNJRUUVFOWUZJA-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001015997456 657629081 /nfs/dbraw/zinc/62/90/81/657629081.db2.gz CNJRUUVFOWUZJA-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001015997456 657629086 /nfs/dbraw/zinc/62/90/86/657629086.db2.gz CNJRUUVFOWUZJA-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCn3cncn3)C2)C1 ZINC001016249970 657670542 /nfs/dbraw/zinc/67/05/42/657670542.db2.gz LLUIPYPWAPPRDZ-STQMWFEESA-N 2 1 292.387 -0.580 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C2)C1 ZINC001016249970 657670552 /nfs/dbraw/zinc/67/05/52/657670552.db2.gz LLUIPYPWAPPRDZ-STQMWFEESA-N 2 1 292.387 -0.580 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001016249970 657670565 /nfs/dbraw/zinc/67/05/65/657670565.db2.gz LLUIPYPWAPPRDZ-STQMWFEESA-N 2 1 292.387 -0.580 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001016248619 657671229 /nfs/dbraw/zinc/67/12/29/657671229.db2.gz CFCGTRKGSIRNQJ-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001016248619 657671238 /nfs/dbraw/zinc/67/12/38/657671238.db2.gz CFCGTRKGSIRNQJ-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001016248619 657671248 /nfs/dbraw/zinc/67/12/48/657671248.db2.gz CFCGTRKGSIRNQJ-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001016260767 657674538 /nfs/dbraw/zinc/67/45/38/657674538.db2.gz SCRPDZPGDHHGSV-JQWIXIFHSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001016260767 657674550 /nfs/dbraw/zinc/67/45/50/657674550.db2.gz SCRPDZPGDHHGSV-JQWIXIFHSA-N 2 1 266.345 -0.237 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC23CC[NH+](CCO)CC3)C1 ZINC001016968821 657743217 /nfs/dbraw/zinc/74/32/17/657743217.db2.gz HSISBEPJELFIPK-STQMWFEESA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@H+]1C ZINC000917961983 657822462 /nfs/dbraw/zinc/82/24/62/657822462.db2.gz YBEHDKLMBWWOOL-UPJWGTAASA-N 2 1 283.420 -0.376 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC[NH+]1C ZINC000917961983 657822465 /nfs/dbraw/zinc/82/24/65/657822465.db2.gz YBEHDKLMBWWOOL-UPJWGTAASA-N 2 1 283.420 -0.376 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC[NH+]1C ZINC000917961983 657822466 /nfs/dbraw/zinc/82/24/66/657822466.db2.gz YBEHDKLMBWWOOL-UPJWGTAASA-N 2 1 283.420 -0.376 20 0 CBADMP CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001018666001 657837070 /nfs/dbraw/zinc/83/70/70/657837070.db2.gz YTJRLRJBQVCIBX-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001018666001 657837073 /nfs/dbraw/zinc/83/70/73/657837073.db2.gz YTJRLRJBQVCIBX-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000919635179 657855795 /nfs/dbraw/zinc/85/57/95/657855795.db2.gz NDFDIAWRBHGGDY-RYUDHWBXSA-N 2 1 270.377 -0.290 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000919635179 657855798 /nfs/dbraw/zinc/85/57/98/657855798.db2.gz NDFDIAWRBHGGDY-RYUDHWBXSA-N 2 1 270.377 -0.290 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000919635179 657855800 /nfs/dbraw/zinc/85/58/00/657855800.db2.gz NDFDIAWRBHGGDY-RYUDHWBXSA-N 2 1 270.377 -0.290 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000919635175 657856268 /nfs/dbraw/zinc/85/62/68/657856268.db2.gz NDFDIAWRBHGGDY-NEPJUHHUSA-N 2 1 270.377 -0.290 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000919635175 657856270 /nfs/dbraw/zinc/85/62/70/657856270.db2.gz NDFDIAWRBHGGDY-NEPJUHHUSA-N 2 1 270.377 -0.290 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000919635175 657856274 /nfs/dbraw/zinc/85/62/74/657856274.db2.gz NDFDIAWRBHGGDY-NEPJUHHUSA-N 2 1 270.377 -0.290 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019043641 657860222 /nfs/dbraw/zinc/86/02/22/657860222.db2.gz BSXFJCRUOXRNCZ-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]C[C@H](C)O)C1 ZINC001019153255 657866272 /nfs/dbraw/zinc/86/62/72/657866272.db2.gz SQEPHESATNNMRV-RYUDHWBXSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001019153254 657866706 /nfs/dbraw/zinc/86/67/06/657866706.db2.gz SQEPHESATNNMRV-NEPJUHHUSA-N 2 1 266.345 -0.237 20 0 CBADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001019241583 657875575 /nfs/dbraw/zinc/87/55/75/657875575.db2.gz LIGJZSKVLHHIQZ-SDDRHHMPSA-N 2 1 282.388 -0.465 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001019241565 657876146 /nfs/dbraw/zinc/87/61/46/657876146.db2.gz JRZATZYEZZHPTA-RWMBFGLXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C)C[NH+]1CCN(C)CC1 ZINC000920453113 657876742 /nfs/dbraw/zinc/87/67/42/657876742.db2.gz XRFGZMUGOHJROK-ZIAGYGMSSA-N 2 1 297.447 -0.127 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H]([NH2+]CCO)C1)CC2 ZINC001019299115 657879998 /nfs/dbraw/zinc/87/99/98/657879998.db2.gz BSVRHDIUFKUAAK-OLZOCXBDSA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCO)C1)C2 ZINC001019383964 657891345 /nfs/dbraw/zinc/89/13/45/657891345.db2.gz QOQCHOJSRYTBSV-OLZOCXBDSA-N 2 1 292.383 -0.063 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1)[NH+](C)C ZINC001019397129 657893066 /nfs/dbraw/zinc/89/30/66/657893066.db2.gz KGTLVBPSLFQGSZ-RYUDHWBXSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019452924 657896082 /nfs/dbraw/zinc/89/60/82/657896082.db2.gz SJIKYEIHSGIORG-NSHDSACASA-N 2 1 293.371 -0.318 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]([NH2+]CCF)C1 ZINC001019518617 657906096 /nfs/dbraw/zinc/90/60/96/657906096.db2.gz WCMWRZHURMVFPC-LBPRGKRZSA-N 2 1 273.352 -0.131 20 0 CBADMP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001019772623 657936496 /nfs/dbraw/zinc/93/64/96/657936496.db2.gz MFVFTVGYIQZDAF-NEPJUHHUSA-N 2 1 292.387 -0.245 20 0 CBADMP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001019772623 657936511 /nfs/dbraw/zinc/93/65/11/657936511.db2.gz MFVFTVGYIQZDAF-NEPJUHHUSA-N 2 1 292.387 -0.245 20 0 CBADMP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019772869 657937033 /nfs/dbraw/zinc/93/70/33/657937033.db2.gz VALSGQGURFOGMX-NEPJUHHUSA-N 2 1 292.387 -0.543 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001019777863 657937408 /nfs/dbraw/zinc/93/74/08/657937408.db2.gz CDCHBJAYWOMEPR-PWSUYJOCSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019778271 657937584 /nfs/dbraw/zinc/93/75/84/657937584.db2.gz XCKRTFHIJPOVQE-NSHDSACASA-N 2 1 252.318 -0.626 20 0 CBADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1)C(N)=O ZINC001019778304 657938313 /nfs/dbraw/zinc/93/83/13/657938313.db2.gz YJFGEBZJNQSOCL-RYUDHWBXSA-N 2 1 293.371 -0.354 20 0 CBADMP Cn1cc(C[NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001019776130 657939425 /nfs/dbraw/zinc/93/94/25/657939425.db2.gz YCCXFLHLBDSTJG-LBPRGKRZSA-N 2 1 292.387 -0.399 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001020026258 657989787 /nfs/dbraw/zinc/98/97/87/657989787.db2.gz MRFUCULHEOQVPX-ZDEQEGDKSA-N 2 1 294.399 -0.404 20 0 CBADMP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001020028558 657989884 /nfs/dbraw/zinc/98/98/84/657989884.db2.gz CLDPZTYMWPRUDL-FDYHWXHSSA-N 2 1 294.399 -0.452 20 0 CBADMP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001020028560 657990095 /nfs/dbraw/zinc/99/00/95/657990095.db2.gz CLDPZTYMWPRUDL-ZDEQEGDKSA-N 2 1 294.399 -0.452 20 0 CBADMP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001020026542 657991492 /nfs/dbraw/zinc/99/14/92/657991492.db2.gz XAHLKCSCZXKUGG-GVXVVHGQSA-N 2 1 292.387 -0.354 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)CC[N@H+]1C ZINC001020175191 658021922 /nfs/dbraw/zinc/02/19/22/658021922.db2.gz DXKYTBHHLAYPQA-ZDEQEGDKSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001020171224 658022043 /nfs/dbraw/zinc/02/20/43/658022043.db2.gz SPDXTJCTWIFWTN-GWOFURMSSA-N 2 1 268.361 -0.951 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001020174816 658022730 /nfs/dbraw/zinc/02/27/30/658022730.db2.gz SHAMTAGBNYDGCH-FIQHERPVSA-N 2 1 282.388 -0.561 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020214140 658026894 /nfs/dbraw/zinc/02/68/94/658026894.db2.gz JTWZBLWVSHGZBT-SRVKXCTJSA-N 2 1 282.388 -0.417 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020239258 658029776 /nfs/dbraw/zinc/02/97/76/658029776.db2.gz URAJIICQEYTETK-JHJVBQTASA-N 2 1 296.415 -0.029 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001020302237 658034967 /nfs/dbraw/zinc/03/49/67/658034967.db2.gz IAOIWVBUCNDQOB-LPWJVIDDSA-N 2 1 296.415 -0.029 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001020302236 658035988 /nfs/dbraw/zinc/03/59/88/658035988.db2.gz IAOIWVBUCNDQOB-FDYHWXHSSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001020333216 658038374 /nfs/dbraw/zinc/03/83/74/658038374.db2.gz OFHNGYHZRANANB-DCAQKATOSA-N 2 1 296.371 -0.033 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020340238 658040456 /nfs/dbraw/zinc/04/04/56/658040456.db2.gz LOYCGYVKWLBEMH-AVGNSLFASA-N 2 1 296.415 -0.171 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020340239 658041301 /nfs/dbraw/zinc/04/13/01/658041301.db2.gz LOYCGYVKWLBEMH-JHJVBQTASA-N 2 1 296.415 -0.171 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001020396771 658047328 /nfs/dbraw/zinc/04/73/28/658047328.db2.gz ACKCBDQIBXVGIO-GMTAPVOTSA-N 2 1 279.344 -0.698 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020499855 658059146 /nfs/dbraw/zinc/05/91/46/658059146.db2.gz FWGILUNLWOOHAQ-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001020505910 658061667 /nfs/dbraw/zinc/06/16/67/658061667.db2.gz IHSUQOZZMOVWST-XDQVBPFNSA-N 2 1 299.415 -0.287 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001020505910 658061681 /nfs/dbraw/zinc/06/16/81/658061681.db2.gz IHSUQOZZMOVWST-XDQVBPFNSA-N 2 1 299.415 -0.287 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020586788 658075478 /nfs/dbraw/zinc/07/54/78/658075478.db2.gz ZDWGBZMWXGMFFY-FDYHWXHSSA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)C(N)=O ZINC001020586408 658076275 /nfs/dbraw/zinc/07/62/75/658076275.db2.gz NNWHXSVFUYXVPQ-WRWGMCAJSA-N 2 1 282.388 -0.419 20 0 CBADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2C)CC1 ZINC000922982671 658118656 /nfs/dbraw/zinc/11/86/56/658118656.db2.gz DGHQVUYGUDCHEM-WDEREUQCSA-N 2 1 270.377 -0.555 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001021044040 658133526 /nfs/dbraw/zinc/13/35/26/658133526.db2.gz IKLWJSLLCJWZFC-JHJVBQTASA-N 2 1 292.387 -0.533 20 0 CBADMP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001021045292 658133897 /nfs/dbraw/zinc/13/38/97/658133897.db2.gz ZVURNLRDAYIRSJ-FDYHWXHSSA-N 2 1 294.399 -0.594 20 0 CBADMP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001021047399 658136107 /nfs/dbraw/zinc/13/61/07/658136107.db2.gz BLIVNTZFCLPURV-SRVKXCTJSA-N 2 1 292.387 -0.496 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021048424 658142931 /nfs/dbraw/zinc/14/29/31/658142931.db2.gz ZWGPICJHQJUIDR-IJLUTSLNSA-N 2 1 292.387 -0.496 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001021052939 658143976 /nfs/dbraw/zinc/14/39/76/658143976.db2.gz AIFFBTLIZWWOLG-FBIMIBRVSA-N 2 1 279.344 -0.698 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001021094341 658150026 /nfs/dbraw/zinc/15/00/26/658150026.db2.gz OBEZOPXPIHQYGN-CYDGBPFRSA-N 2 1 296.415 -0.029 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001021094344 658151863 /nfs/dbraw/zinc/15/18/63/658151863.db2.gz OBEZOPXPIHQYGN-ZDEQEGDKSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283173 658188682 /nfs/dbraw/zinc/18/86/82/658188682.db2.gz SSWCJRIPADOFKI-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP CCOCC[C@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000923280433 658189196 /nfs/dbraw/zinc/18/91/96/658189196.db2.gz GIVFXTASJIWAHM-STQMWFEESA-N 2 1 287.404 -0.439 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283772 658189727 /nfs/dbraw/zinc/18/97/27/658189727.db2.gz YDIGMANNUWMFFS-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283171 658191515 /nfs/dbraw/zinc/19/15/15/658191515.db2.gz SSWCJRIPADOFKI-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000923282500 658192361 /nfs/dbraw/zinc/19/23/61/658192361.db2.gz UXVFFVFHWVKPDB-XQQFMLRXSA-N 2 1 258.362 -0.177 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000923295797 658195471 /nfs/dbraw/zinc/19/54/71/658195471.db2.gz HPHFNRNUZVUQPH-STQMWFEESA-N 2 1 259.394 -0.358 20 0 CBADMP COCCCNC(=O)C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923302302 658196774 /nfs/dbraw/zinc/19/67/74/658196774.db2.gz UQZJUFAXNLMFPH-LBPRGKRZSA-N 2 1 285.388 -0.551 20 0 CBADMP COCCCNC(=O)C[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923302302 658196782 /nfs/dbraw/zinc/19/67/82/658196782.db2.gz UQZJUFAXNLMFPH-LBPRGKRZSA-N 2 1 285.388 -0.551 20 0 CBADMP CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923302574 658197853 /nfs/dbraw/zinc/19/78/53/658197853.db2.gz CPBMKXBIKWDZKV-OLZOCXBDSA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@@H+](CC(=O)N1CCOCC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923304396 658198706 /nfs/dbraw/zinc/19/87/06/658198706.db2.gz WQIFSRJOQCRMNA-GFCCVEGCSA-N 2 1 283.372 -0.845 20 0 CBADMP C[N@H+](CC(=O)N1CCOCC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923304396 658198715 /nfs/dbraw/zinc/19/87/15/658198715.db2.gz WQIFSRJOQCRMNA-GFCCVEGCSA-N 2 1 283.372 -0.845 20 0 CBADMP NC(=O)[C@@H]1CCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299413 658200765 /nfs/dbraw/zinc/20/07/65/658200765.db2.gz UNCUJVFJRSZDMK-MNOVXSKESA-N 2 1 253.346 -0.295 20 0 CBADMP CC1(C)C(=O)NCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923311452 658202732 /nfs/dbraw/zinc/20/27/32/658202732.db2.gz MQPVOFRBQKCHNO-JTQLQIEISA-N 2 1 253.346 -0.425 20 0 CBADMP CC1(C)C(=O)NCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923311452 658202750 /nfs/dbraw/zinc/20/27/50/658202750.db2.gz MQPVOFRBQKCHNO-JTQLQIEISA-N 2 1 253.346 -0.425 20 0 CBADMP CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923311497 658202974 /nfs/dbraw/zinc/20/29/74/658202974.db2.gz NXKLZUOVHKQVOQ-VXGBXAGGSA-N 2 1 267.373 -0.179 20 0 CBADMP CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923311497 658203001 /nfs/dbraw/zinc/20/30/01/658203001.db2.gz NXKLZUOVHKQVOQ-VXGBXAGGSA-N 2 1 267.373 -0.179 20 0 CBADMP CC[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[N@H+]1CCOC ZINC000923321215 658207772 /nfs/dbraw/zinc/20/77/72/658207772.db2.gz DMAHNKDMKJAHRS-CRWXNKLISA-N 2 1 271.405 -0.120 20 0 CBADMP c1cnc(N2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)nc1 ZINC000923319780 658209324 /nfs/dbraw/zinc/20/93/24/658209324.db2.gz ZSUARKNVXWTTHQ-ZDUSSCGKSA-N 2 1 289.383 -0.023 20 0 CBADMP C[N@@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923316088 658211118 /nfs/dbraw/zinc/21/11/18/658211118.db2.gz QPZIYYMAMRNXRF-JXUBOQSCSA-N 2 1 295.305 -0.068 20 0 CBADMP C[N@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923316088 658211126 /nfs/dbraw/zinc/21/11/26/658211126.db2.gz QPZIYYMAMRNXRF-JXUBOQSCSA-N 2 1 295.305 -0.068 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000923334725 658222446 /nfs/dbraw/zinc/22/24/46/658222446.db2.gz XZABDAMQMGMUOM-GARJFASQSA-N 2 1 266.345 -0.451 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000923342690 658223545 /nfs/dbraw/zinc/22/35/45/658223545.db2.gz GCAXTLFPKQSJGA-SDDRHHMPSA-N 2 1 263.357 -0.703 20 0 CBADMP O[C@@H](Cn1cccn1)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923359005 658230877 /nfs/dbraw/zinc/23/08/77/658230877.db2.gz NVMRXHCORWOFSW-XQQFMLRXSA-N 2 1 250.346 -0.072 20 0 CBADMP C[N@H+](C[C@H](O)C[NH3+])C[C@H](O)COc1ccccc1F ZINC000923365528 658232554 /nfs/dbraw/zinc/23/25/54/658232554.db2.gz FRECFYWDKCNYOS-MNOVXSKESA-N 2 1 272.320 -0.183 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H](O)COc1ccccc1F ZINC000923365528 658232577 /nfs/dbraw/zinc/23/25/77/658232577.db2.gz FRECFYWDKCNYOS-MNOVXSKESA-N 2 1 272.320 -0.183 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923368894 658239981 /nfs/dbraw/zinc/23/99/81/658239981.db2.gz GOBHTOTWCOAMHJ-NWDGAFQWSA-N 2 1 261.410 -0.112 20 0 CBADMP C[N@@H+](CCN1CCOCC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923370876 658240599 /nfs/dbraw/zinc/24/05/99/658240599.db2.gz YXBWVDNHISPOHM-ZDUSSCGKSA-N 2 1 269.389 -0.371 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923368896 658242287 /nfs/dbraw/zinc/24/22/87/658242287.db2.gz GOBHTOTWCOAMHJ-VXGBXAGGSA-N 2 1 261.410 -0.112 20 0 CBADMP CN1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCC1=O ZINC000923386712 658249030 /nfs/dbraw/zinc/24/90/30/658249030.db2.gz AMAUGLRBMTXDOP-LLVKDONJSA-N 2 1 253.346 -0.471 20 0 CBADMP CCO[C@@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)C[C@H]1C[NH3+] ZINC000923386796 658249436 /nfs/dbraw/zinc/24/94/36/658249436.db2.gz JXLXETMFWLOBNM-GHMZBOCLSA-N 2 1 284.360 -0.824 20 0 CBADMP CCO[C@@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)C[C@H]1C[NH3+] ZINC000923386796 658249448 /nfs/dbraw/zinc/24/94/48/658249448.db2.gz JXLXETMFWLOBNM-GHMZBOCLSA-N 2 1 284.360 -0.824 20 0 CBADMP C[C@@H]1C[N@H+](CCN2CCC[C@H]([NH2+]CCO)C2)CCO1 ZINC000923405701 658260555 /nfs/dbraw/zinc/26/05/55/658260555.db2.gz HNIKPZCLMPUKMS-KGLIPLIRSA-N 2 1 271.405 -0.247 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2CCC[C@H]([NH2+]CCO)C2)CCO1 ZINC000923405701 658260600 /nfs/dbraw/zinc/26/06/00/658260600.db2.gz HNIKPZCLMPUKMS-KGLIPLIRSA-N 2 1 271.405 -0.247 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419485 658271149 /nfs/dbraw/zinc/27/11/49/658271149.db2.gz AVYCKABTUPJHTN-UTUOFQBUSA-N 2 1 259.394 -0.359 20 0 CBADMP CCOCC[C@@H](O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000923413956 658271656 /nfs/dbraw/zinc/27/16/56/658271656.db2.gz SEOAHQQSYGFKHU-CYBMUJFWSA-N 2 1 260.378 -0.180 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413863 658271840 /nfs/dbraw/zinc/27/18/40/658271840.db2.gz JBWFIVRWCSVRIR-MMWGEVLESA-N 2 1 255.318 -0.766 20 0 CBADMP CCC(C)(C)NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923463441 658291681 /nfs/dbraw/zinc/29/16/81/658291681.db2.gz DSYOYQUGLZBAPN-UHFFFAOYSA-N 2 1 256.394 -0.214 20 0 CBADMP CC(C)N1CC[C@@H](N2CC[NH2+]CC[NH2+]CC2)C1=O ZINC000923460534 658292699 /nfs/dbraw/zinc/29/26/99/658292699.db2.gz FBBIENYIHIMMLC-GFCCVEGCSA-N 2 1 254.378 -0.510 20 0 CBADMP C[C@H]1CCCN(C(=O)CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923460766 658292852 /nfs/dbraw/zinc/29/28/52/658292852.db2.gz UYWWXAGBWBAFAF-ZDUSSCGKSA-N 2 1 268.405 -0.260 20 0 CBADMP CCCS(=O)(=O)CCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460586 658293314 /nfs/dbraw/zinc/29/33/14/658293314.db2.gz GYRUTWVDPQPXPC-UHFFFAOYSA-N 2 1 263.407 -0.694 20 0 CBADMP O=C1[C@@H](N2CC[NH2+]CC[NH2+]CC2)CCN1C1CCC1 ZINC000923460397 658294559 /nfs/dbraw/zinc/29/45/59/658294559.db2.gz NCGKGBTURVWWQX-ZDUSSCGKSA-N 2 1 266.389 -0.365 20 0 CBADMP C[C@H](C(=O)NC1CCCC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923466672 658296239 /nfs/dbraw/zinc/29/62/39/658296239.db2.gz TXWUFIUWJNHRJR-GFCCVEGCSA-N 2 1 268.405 -0.072 20 0 CBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NC1CCCC1 ZINC000923466515 658296544 /nfs/dbraw/zinc/29/65/44/658296544.db2.gz YRNTWVSDOLNYJA-UHFFFAOYSA-N 2 1 254.378 -0.460 20 0 CBADMP CCOCCCNC(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465394 658296592 /nfs/dbraw/zinc/29/65/92/658296592.db2.gz ZLONSKFJKCABGQ-ZDUSSCGKSA-N 2 1 286.420 -0.588 20 0 CBADMP C[C@@H](C(=O)NC(C)(C)C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465148 658296743 /nfs/dbraw/zinc/29/67/43/658296743.db2.gz VFZMMEGCRGLWOD-NSHDSACASA-N 2 1 256.394 -0.216 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923490697 658308979 /nfs/dbraw/zinc/30/89/79/658308979.db2.gz FHEGYGZEIGASPQ-FRRDWIJNSA-N 2 1 260.378 -0.073 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923481588 658302546 /nfs/dbraw/zinc/30/25/46/658302546.db2.gz RXVKTBJZCLAFIV-CYBMUJFWSA-N 2 1 268.405 -0.179 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923481588 658302560 /nfs/dbraw/zinc/30/25/60/658302560.db2.gz RXVKTBJZCLAFIV-CYBMUJFWSA-N 3 1 268.405 -0.179 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923481588 658302574 /nfs/dbraw/zinc/30/25/74/658302574.db2.gz RXVKTBJZCLAFIV-CYBMUJFWSA-N 3 1 268.405 -0.179 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)CC[C@@H]1C[NH3+] ZINC000923494601 658307082 /nfs/dbraw/zinc/30/70/82/658307082.db2.gz ZASSGMXTZAJSHV-GHMZBOCLSA-N 2 1 268.361 -0.203 20 0 CBADMP C[C@H]1C[N@@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@@H]1C[NH3+] ZINC000923498675 658307770 /nfs/dbraw/zinc/30/77/70/658307770.db2.gz KPQDLGLSPCQNLY-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500239 658308353 /nfs/dbraw/zinc/30/83/53/658308353.db2.gz VWVWVCANGSITGL-NXEZZACHSA-N 2 1 256.350 -0.251 20 0 CBADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000923491343 658308471 /nfs/dbraw/zinc/30/84/71/658308471.db2.gz IHPGEFWGYFFJCL-ZDUSSCGKSA-N 2 1 296.415 -0.214 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923503464 658311036 /nfs/dbraw/zinc/31/10/36/658311036.db2.gz IUWCJDSCKHZBIO-TZMCWYRMSA-N 2 1 296.415 -0.406 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923503463 658311470 /nfs/dbraw/zinc/31/14/70/658311470.db2.gz IUWCJDSCKHZBIO-OCCSQVGLSA-N 2 1 296.415 -0.406 20 0 CBADMP COC[C@@H]1COCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923557644 658325060 /nfs/dbraw/zinc/32/50/60/658325060.db2.gz MGZKPGQTJGMAQL-VXGBXAGGSA-N 2 1 256.346 -0.288 20 0 CBADMP COC[C@@H]1COCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923557644 658325082 /nfs/dbraw/zinc/32/50/82/658325082.db2.gz MGZKPGQTJGMAQL-VXGBXAGGSA-N 2 1 256.346 -0.288 20 0 CBADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923610710 658350509 /nfs/dbraw/zinc/35/05/09/658350509.db2.gz WAXRGBJHAAGKMS-NEPJUHHUSA-N 2 1 273.402 -0.153 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000923696058 658401981 /nfs/dbraw/zinc/40/19/81/658401981.db2.gz PWQQGTLRGASBOT-LLVKDONJSA-N 2 1 291.417 -0.804 20 0 CBADMP O=C(NC[C@@H]1C[N@@H+](CCF)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000958215334 658592029 /nfs/dbraw/zinc/59/20/29/658592029.db2.gz VZGCFFMMOWTWCM-CHWSQXEVSA-N 2 1 299.390 -0.007 20 0 CBADMP O=C(NC[C@@H]1C[N@H+](CCF)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000958215334 658592044 /nfs/dbraw/zinc/59/20/44/658592044.db2.gz VZGCFFMMOWTWCM-CHWSQXEVSA-N 2 1 299.390 -0.007 20 0 CBADMP C[NH+](C)C[C@H]1NC(=O)N([C@@H]2CC[N@@H+](CC3CC3)C2)C1=O ZINC000924592507 658622243 /nfs/dbraw/zinc/62/22/43/658622243.db2.gz RSCHYGDMOZDKED-VXGBXAGGSA-N 2 1 280.372 -0.047 20 0 CBADMP C[C@@H]1C[C@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)CC[N@H+]1C ZINC000924628510 658623481 /nfs/dbraw/zinc/62/34/81/658623481.db2.gz JPCFTXMBLWUVCS-MXWKQRLJSA-N 2 1 268.361 -0.049 20 0 CBADMP C[NH+](C)C[C@@H]1NC(=O)N([C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000924886764 658655135 /nfs/dbraw/zinc/65/51/35/658655135.db2.gz PCFNAIGFERYPAU-QWRGUYRKSA-N 2 1 266.345 -0.295 20 0 CBADMP C[NH+](C)C[C@@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000924886763 658655179 /nfs/dbraw/zinc/65/51/79/658655179.db2.gz PCFNAIGFERYPAU-MNOVXSKESA-N 2 1 266.345 -0.295 20 0 CBADMP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000924944452 658669991 /nfs/dbraw/zinc/66/99/91/658669991.db2.gz ALWYCJYPRBCCAE-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000924975171 658676257 /nfs/dbraw/zinc/67/62/57/658676257.db2.gz RJZKYMUUAYRSQR-GHMZBOCLSA-N 2 1 253.346 -0.737 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2C)cn1 ZINC000924978034 658681184 /nfs/dbraw/zinc/68/11/84/658681184.db2.gz HXESJMZLEIDTNM-OLZOCXBDSA-N 2 1 295.387 -0.761 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2C)n1 ZINC000924979108 658682082 /nfs/dbraw/zinc/68/20/82/658682082.db2.gz LZEIPODIEFEKET-NWDGAFQWSA-N 2 1 295.387 -0.761 20 0 CBADMP C[NH+](C)CCn1nccc1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C ZINC000924979123 658682811 /nfs/dbraw/zinc/68/28/11/658682811.db2.gz MBZGAIOYCPKPBO-NWDGAFQWSA-N 2 1 295.387 -0.761 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)CC1CC[NH+](C)CC1 ZINC000924999639 658721146 /nfs/dbraw/zinc/72/11/46/658721146.db2.gz QIPLWAALSXKHOV-UHFFFAOYSA-N 2 1 257.378 -0.241 20 0 CBADMP CN(CCC(=O)NCC[N@@H+](C)CCO)c1cc[nH+]cc1 ZINC000924997525 658721324 /nfs/dbraw/zinc/72/13/24/658721324.db2.gz IHZMBTOITJDTDW-UHFFFAOYSA-N 2 1 280.372 -0.052 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC000959918084 658759583 /nfs/dbraw/zinc/75/95/83/658759583.db2.gz FCBWFMUHCPLWOB-BYNSBNAKSA-N 2 1 293.411 -0.243 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC000959918945 658762033 /nfs/dbraw/zinc/76/20/33/658762033.db2.gz HCWMIRFNRHFFLA-IGQOVBAYSA-N 2 1 279.384 -0.633 20 0 CBADMP 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 658773968 /nfs/dbraw/zinc/77/39/68/658773968.db2.gz HOHIUUXYZQUJGY-POQQGIQPSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)CC[NH+]1C ZINC000959964611 658774144 /nfs/dbraw/zinc/77/41/44/658774144.db2.gz HOHIUUXYZQUJGY-POQQGIQPSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)CC[NH+]1C ZINC000959964611 658774268 /nfs/dbraw/zinc/77/42/68/658774268.db2.gz HOHIUUXYZQUJGY-POQQGIQPSA-N 2 1 281.400 -0.245 20 0 CBADMP C[NH+](C)C[C@@H]1NC(=O)N([C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000925298812 658818196 /nfs/dbraw/zinc/81/81/96/658818196.db2.gz PWJFDYMOUDLOOE-ZJUUUORDSA-N 2 1 254.334 -0.437 20 0 CBADMP CC[N@H+]1CCC[C@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925300527 658819342 /nfs/dbraw/zinc/81/93/42/658819342.db2.gz WLVMMYHFEMBXSL-QWRGUYRKSA-N 2 1 268.361 -0.047 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC000961773578 658833912 /nfs/dbraw/zinc/83/39/12/658833912.db2.gz PCJYTIFQTNZGNP-RMRHIDDWSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000961773578 658833914 /nfs/dbraw/zinc/83/39/14/658833914.db2.gz PCJYTIFQTNZGNP-RMRHIDDWSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000961773578 658833915 /nfs/dbraw/zinc/83/39/15/658833915.db2.gz PCJYTIFQTNZGNP-RMRHIDDWSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC1=O ZINC000925431036 658851503 /nfs/dbraw/zinc/85/15/03/658851503.db2.gz RWGWFFARUPFRBN-LBPRGKRZSA-N 2 1 297.403 -0.894 20 0 CBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925433818 658853102 /nfs/dbraw/zinc/85/31/02/658853102.db2.gz XMOZAUYMGNZQSK-NEPJUHHUSA-N 2 1 297.403 -0.548 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000925434652 658853682 /nfs/dbraw/zinc/85/36/82/658853682.db2.gz LPGZCDCYQACACA-ZIAGYGMSSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000925434652 658853687 /nfs/dbraw/zinc/85/36/87/658853687.db2.gz LPGZCDCYQACACA-ZIAGYGMSSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000925434652 658853691 /nfs/dbraw/zinc/85/36/91/658853691.db2.gz LPGZCDCYQACACA-ZIAGYGMSSA-N 2 1 296.415 -0.069 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000925434640 658854389 /nfs/dbraw/zinc/85/43/89/658854389.db2.gz LPGZCDCYQACACA-KGLIPLIRSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000925434640 658854394 /nfs/dbraw/zinc/85/43/94/658854394.db2.gz LPGZCDCYQACACA-KGLIPLIRSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000925434640 658854395 /nfs/dbraw/zinc/85/43/95/658854395.db2.gz LPGZCDCYQACACA-KGLIPLIRSA-N 2 1 296.415 -0.069 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000962553470 658856999 /nfs/dbraw/zinc/85/69/99/658856999.db2.gz HNBCSDLHFPZDCM-CZXHOFHRSA-N 2 1 292.383 -0.983 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000962567889 658857195 /nfs/dbraw/zinc/85/71/95/658857195.db2.gz SANAAUYVESBTFS-IMRBUKKESA-N 2 1 278.356 -0.380 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000962567889 658857202 /nfs/dbraw/zinc/85/72/02/658857202.db2.gz SANAAUYVESBTFS-IMRBUKKESA-N 2 1 278.356 -0.380 20 0 CBADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CNCCOC1 ZINC000925542842 658858181 /nfs/dbraw/zinc/85/81/81/658858181.db2.gz QSURWYMEJCJZDR-QWHCGFSZSA-N 2 1 259.394 -0.079 20 0 CBADMP C[NH+]1CCN(C(=O)CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925615307 658862727 /nfs/dbraw/zinc/86/27/27/658862727.db2.gz FXQXZHVSGPJOCG-JVSQWTDWSA-N 2 1 278.400 -0.654 20 0 CBADMP CN1CCN(C(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925619007 658863258 /nfs/dbraw/zinc/86/32/58/658863258.db2.gz ZHXXBWXJPPHAFC-NEPJUHHUSA-N 2 1 266.389 -0.380 20 0 CBADMP C[NH+]1CCN(C(=O)CN[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925618541 658863818 /nfs/dbraw/zinc/86/38/18/658863818.db2.gz WNRPUWYBYGAGKQ-LBPRGKRZSA-N 2 1 266.389 -0.365 20 0 CBADMP OCC[N@H+]1CCCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925681164 658865954 /nfs/dbraw/zinc/86/59/54/658865954.db2.gz SYRBXSNTMJYPLM-STQMWFEESA-N 2 1 257.378 -0.589 20 0 CBADMP CNS(=O)(=O)CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925724325 658868180 /nfs/dbraw/zinc/86/81/80/658868180.db2.gz AFPKGJLCJMOGRY-KKJSVHSVSA-N 2 1 273.402 -0.488 20 0 CBADMP 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 658869021 /nfs/dbraw/zinc/86/90/21/658869021.db2.gz TZYVLVIKNFDFLI-XNBXPENISA-N 2 1 251.374 -0.361 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926384049 658897869 /nfs/dbraw/zinc/89/78/69/658897869.db2.gz YRSWSCMHEBCLIU-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000926413367 658898978 /nfs/dbraw/zinc/89/89/78/658898978.db2.gz NXQINGIOVAKFNC-CYBMUJFWSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CCCN1C)C1CN(CC(N)=O)C1 ZINC000969409771 658987730 /nfs/dbraw/zinc/98/77/30/658987730.db2.gz GMTZESACJSJVIX-MWLCHTKSSA-N 2 1 268.361 -0.998 20 0 CBADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC000969722885 659013538 /nfs/dbraw/zinc/01/35/38/659013538.db2.gz UERYVYAHHWAQDQ-QNWHQSFQSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@H+]1C ZINC000928441915 659021551 /nfs/dbraw/zinc/02/15/51/659021551.db2.gz PXQRHDWAZWZOEQ-UPJWGTAASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1C ZINC000928441915 659021556 /nfs/dbraw/zinc/02/15/56/659021556.db2.gz PXQRHDWAZWZOEQ-UPJWGTAASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC[NH+]1C ZINC000928441915 659021567 /nfs/dbraw/zinc/02/15/67/659021567.db2.gz PXQRHDWAZWZOEQ-UPJWGTAASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CCCO)C1 ZINC000969944321 659025519 /nfs/dbraw/zinc/02/55/19/659025519.db2.gz MRUREOCOICRBFM-MBNYWOFBSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CCCO)C1 ZINC000969944321 659025524 /nfs/dbraw/zinc/02/55/24/659025524.db2.gz MRUREOCOICRBFM-MBNYWOFBSA-N 2 1 299.415 -0.476 20 0 CBADMP C[NH+](C)CCn1nccc1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928557113 659042480 /nfs/dbraw/zinc/04/24/80/659042480.db2.gz ZYYPYWJHYTXEMX-NSHDSACASA-N 2 1 265.361 -0.121 20 0 CBADMP C[NH+](C)CCn1nccc1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928557113 659042487 /nfs/dbraw/zinc/04/24/87/659042487.db2.gz ZYYPYWJHYTXEMX-NSHDSACASA-N 2 1 265.361 -0.121 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)CCCC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928564786 659046864 /nfs/dbraw/zinc/04/68/64/659046864.db2.gz ZARBUJJQWXWYDA-BETUJISGSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)CCCC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928564786 659046872 /nfs/dbraw/zinc/04/68/72/659046872.db2.gz ZARBUJJQWXWYDA-BETUJISGSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)CCCC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928564786 659046881 /nfs/dbraw/zinc/04/68/81/659046881.db2.gz ZARBUJJQWXWYDA-BETUJISGSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](NC(=O)C1CC[NH+](C)CC1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970367180 659052250 /nfs/dbraw/zinc/05/22/50/659052250.db2.gz PCOMYQDCMVPPTR-QWRGUYRKSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(N)=O)C2)CC[N@@H+]1C ZINC000971564207 659094541 /nfs/dbraw/zinc/09/45/41/659094541.db2.gz VHXVAXAMKPHTGR-IJLUTSLNSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(N)=O)C2)CC[N@H+]1C ZINC000971564207 659094548 /nfs/dbraw/zinc/09/45/48/659094548.db2.gz VHXVAXAMKPHTGR-IJLUTSLNSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000971564207 659094550 /nfs/dbraw/zinc/09/45/50/659094550.db2.gz VHXVAXAMKPHTGR-IJLUTSLNSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000971564207 659094556 /nfs/dbraw/zinc/09/45/56/659094556.db2.gz VHXVAXAMKPHTGR-IJLUTSLNSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000971686660 659095841 /nfs/dbraw/zinc/09/58/41/659095841.db2.gz DFZTVTWQBNBXNQ-YPMHNXCESA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971686660 659095847 /nfs/dbraw/zinc/09/58/47/659095847.db2.gz DFZTVTWQBNBXNQ-YPMHNXCESA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971686660 659095848 /nfs/dbraw/zinc/09/58/48/659095848.db2.gz DFZTVTWQBNBXNQ-YPMHNXCESA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000971673550 659096135 /nfs/dbraw/zinc/09/61/35/659096135.db2.gz HHJMSWVMBIXQAN-RYUDHWBXSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](O)C1)[NH+]1CCC[C@@H](O)C1 ZINC000929215793 659100026 /nfs/dbraw/zinc/10/00/26/659100026.db2.gz RXOGTFAMVCKZHO-MGPQQGTHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CCC[C@@H](O)C1)[NH+]1CCC[C@@H](O)C1 ZINC000929215793 659100039 /nfs/dbraw/zinc/10/00/39/659100039.db2.gz RXOGTFAMVCKZHO-MGPQQGTHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCC[C@@H](O)C1)[N@@H+]1CCC[C@@H](O)C1 ZINC000929215793 659100047 /nfs/dbraw/zinc/10/00/47/659100047.db2.gz RXOGTFAMVCKZHO-MGPQQGTHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCC[C@@H](O)C1)[N@H+]1CCC[C@@H](O)C1 ZINC000929215793 659100053 /nfs/dbraw/zinc/10/00/53/659100053.db2.gz RXOGTFAMVCKZHO-MGPQQGTHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC000972326574 659114373 /nfs/dbraw/zinc/11/43/73/659114373.db2.gz MCDZVKASAAFPTL-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC000972326574 659114380 /nfs/dbraw/zinc/11/43/80/659114380.db2.gz MCDZVKASAAFPTL-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000972326574 659114386 /nfs/dbraw/zinc/11/43/86/659114386.db2.gz MCDZVKASAAFPTL-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000972326574 659114391 /nfs/dbraw/zinc/11/43/91/659114391.db2.gz MCDZVKASAAFPTL-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH+](C)CCO)C1 ZINC000972333876 659114587 /nfs/dbraw/zinc/11/45/87/659114587.db2.gz YGMNYGBAJOSLDS-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000972333876 659114595 /nfs/dbraw/zinc/11/45/95/659114595.db2.gz YGMNYGBAJOSLDS-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000972333876 659114600 /nfs/dbraw/zinc/11/46/00/659114600.db2.gz YGMNYGBAJOSLDS-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH+](C)CCO)C2)C1 ZINC000972335082 659116482 /nfs/dbraw/zinc/11/64/82/659116482.db2.gz MTOAIEXQHGJUBR-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@H+](C)CCO)C2)C1 ZINC000972335082 659116485 /nfs/dbraw/zinc/11/64/85/659116485.db2.gz MTOAIEXQHGJUBR-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)C1 ZINC000972335082 659116489 /nfs/dbraw/zinc/11/64/89/659116489.db2.gz MTOAIEXQHGJUBR-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000929508114 659134203 /nfs/dbraw/zinc/13/42/03/659134203.db2.gz AWOLABPUXJWGSO-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000929508114 659134205 /nfs/dbraw/zinc/13/42/05/659134205.db2.gz AWOLABPUXJWGSO-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000929508114 659134208 /nfs/dbraw/zinc/13/42/08/659134208.db2.gz AWOLABPUXJWGSO-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000929508114 659134211 /nfs/dbraw/zinc/13/42/11/659134211.db2.gz AWOLABPUXJWGSO-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[NH+]1CCCCC1 ZINC000929609815 659151274 /nfs/dbraw/zinc/15/12/74/659151274.db2.gz XGWNCGQXDCMKLY-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[NH+]1CCCCC1 ZINC000929609815 659151278 /nfs/dbraw/zinc/15/12/78/659151278.db2.gz XGWNCGQXDCMKLY-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](O)CO)C1 ZINC000929769870 659170184 /nfs/dbraw/zinc/17/01/84/659170184.db2.gz BPWDGWDJDBDMHB-OLZOCXBDSA-N 2 1 260.378 -0.228 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[NH+](C)C1CC1 ZINC000929957228 659186870 /nfs/dbraw/zinc/18/68/70/659186870.db2.gz OYSPTNHAPSXPJJ-PWSUYJOCSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[NH+](C)C1CC1 ZINC000929957228 659186873 /nfs/dbraw/zinc/18/68/73/659186873.db2.gz OYSPTNHAPSXPJJ-PWSUYJOCSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)[N@H+](C)C1CC1 ZINC000929957228 659186877 /nfs/dbraw/zinc/18/68/77/659186877.db2.gz OYSPTNHAPSXPJJ-PWSUYJOCSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)[N@@H+](C)C1CC1 ZINC000929957228 659186882 /nfs/dbraw/zinc/18/68/82/659186882.db2.gz OYSPTNHAPSXPJJ-PWSUYJOCSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000929956871 659187454 /nfs/dbraw/zinc/18/74/54/659187454.db2.gz WACLRHJXJZTHAP-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000929956871 659187459 /nfs/dbraw/zinc/18/74/59/659187459.db2.gz WACLRHJXJZTHAP-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000929956871 659187466 /nfs/dbraw/zinc/18/74/66/659187466.db2.gz WACLRHJXJZTHAP-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000929956871 659187472 /nfs/dbraw/zinc/18/74/72/659187472.db2.gz WACLRHJXJZTHAP-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP 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 659213841 /nfs/dbraw/zinc/21/38/41/659213841.db2.gz UECXLNCGSCIRHD-VEGXAWMVSA-N 2 1 294.399 -0.894 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC[NH+]1C ZINC000978184215 659213845 /nfs/dbraw/zinc/21/38/45/659213845.db2.gz UECXLNCGSCIRHD-VEGXAWMVSA-N 2 1 294.399 -0.894 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC[NH+]1C ZINC000978184215 659213850 /nfs/dbraw/zinc/21/38/50/659213850.db2.gz UECXLNCGSCIRHD-VEGXAWMVSA-N 2 1 294.399 -0.894 20 0 CBADMP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000930296194 659250471 /nfs/dbraw/zinc/25/04/71/659250471.db2.gz MUXHABUBMKJOFX-WCQYABFASA-N 2 1 281.356 -0.046 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC000980275004 659266737 /nfs/dbraw/zinc/26/67/37/659266737.db2.gz LTNYFVXECHSVAO-HIFRSBDPSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+](CCO)[C@@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000980275004 659266747 /nfs/dbraw/zinc/26/67/47/659266747.db2.gz LTNYFVXECHSVAO-HIFRSBDPSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+](CCO)[C@@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000980275004 659266757 /nfs/dbraw/zinc/26/67/57/659266757.db2.gz LTNYFVXECHSVAO-HIFRSBDPSA-N 2 1 281.400 -0.003 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405187 659268301 /nfs/dbraw/zinc/26/83/01/659268301.db2.gz GYNSZPIBYGGMGJ-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000980412470 659271480 /nfs/dbraw/zinc/27/14/80/659271480.db2.gz KGYZJLTYWFCTKG-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP C[C@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000980893888 659298903 /nfs/dbraw/zinc/29/89/03/659298903.db2.gz QNEAFWXMAVGKTM-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000930715196 659327948 /nfs/dbraw/zinc/32/79/48/659327948.db2.gz GCQUHQZTPIWLHV-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000981956939 659337113 /nfs/dbraw/zinc/33/71/13/659337113.db2.gz BCXWVOGYZRSZKG-ZDUSSCGKSA-N 2 1 269.389 -0.145 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000981956939 659337115 /nfs/dbraw/zinc/33/71/15/659337115.db2.gz BCXWVOGYZRSZKG-ZDUSSCGKSA-N 2 1 269.389 -0.145 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC000981956939 659337117 /nfs/dbraw/zinc/33/71/17/659337117.db2.gz BCXWVOGYZRSZKG-ZDUSSCGKSA-N 2 1 269.389 -0.145 20 0 CBADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](O)CO)CC2)CC1 ZINC000930751531 659338080 /nfs/dbraw/zinc/33/80/80/659338080.db2.gz NNTYOKLKGRBEQN-HNNXBMFYSA-N 2 1 285.432 -0.168 20 0 CBADMP C[C@H](O)[C@@H](O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000931076401 659382084 /nfs/dbraw/zinc/38/20/84/659382084.db2.gz RBUMOGLITKCSGF-AVGNSLFASA-N 2 1 260.378 -0.229 20 0 CBADMP C[C@H](O)[C@@H](O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000931076401 659382090 /nfs/dbraw/zinc/38/20/90/659382090.db2.gz RBUMOGLITKCSGF-AVGNSLFASA-N 2 1 260.378 -0.229 20 0 CBADMP C[NH+](C)C1(C(=O)N2CCC([N@@H+](C)CC(N)=O)CC2)CCC1 ZINC000985476158 659387789 /nfs/dbraw/zinc/38/77/89/659387789.db2.gz YYMQWVDWZFGDDZ-UHFFFAOYSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@@H](C(=O)N1CCC([N@@H+](C)CC(N)=O)CC1)[NH+](C)C ZINC000985658382 659393852 /nfs/dbraw/zinc/39/38/52/659393852.db2.gz XXFXKQOIYGTITA-LBPRGKRZSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC000985653899 659393907 /nfs/dbraw/zinc/39/39/07/659393907.db2.gz NADWUZHAGLLCEH-DGCLKSJQSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC000985653899 659393915 /nfs/dbraw/zinc/39/39/15/659393915.db2.gz NADWUZHAGLLCEH-DGCLKSJQSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC000985653899 659393921 /nfs/dbraw/zinc/39/39/21/659393921.db2.gz NADWUZHAGLLCEH-DGCLKSJQSA-N 2 1 296.415 -0.408 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC000985789751 659400379 /nfs/dbraw/zinc/40/03/79/659400379.db2.gz NPNBZQHPFQAJAE-UHFFFAOYSA-N 2 1 293.371 -0.400 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC000985789751 659400391 /nfs/dbraw/zinc/40/03/91/659400391.db2.gz NPNBZQHPFQAJAE-UHFFFAOYSA-N 2 1 293.371 -0.400 20 0 CBADMP C[N@@H+](CC(N)=O)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000985791676 659400998 /nfs/dbraw/zinc/40/09/98/659400998.db2.gz MOADBKAWKAMPPW-NSHDSACASA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000985791676 659401023 /nfs/dbraw/zinc/40/10/23/659401023.db2.gz MOADBKAWKAMPPW-NSHDSACASA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985791676 659401045 /nfs/dbraw/zinc/40/10/45/659401045.db2.gz MOADBKAWKAMPPW-NSHDSACASA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)C[C@]3(O)CCOC3)CC[C@@H]21 ZINC000931545843 659484872 /nfs/dbraw/zinc/48/48/72/659484872.db2.gz HHZCPTVMKYPLJW-APIJFGDWSA-N 2 1 284.400 -0.085 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)C[C@]3(O)CCOC3)CC[C@@H]21 ZINC000931545843 659484879 /nfs/dbraw/zinc/48/48/79/659484879.db2.gz HHZCPTVMKYPLJW-APIJFGDWSA-N 2 1 284.400 -0.085 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)C[C@]3(O)CCOC3)CC[C@@H]21 ZINC000931545843 659484889 /nfs/dbraw/zinc/48/48/89/659484889.db2.gz HHZCPTVMKYPLJW-APIJFGDWSA-N 2 1 284.400 -0.085 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)C[C@]3(O)CCOC3)CC[C@@H]21 ZINC000931545843 659484896 /nfs/dbraw/zinc/48/48/96/659484896.db2.gz HHZCPTVMKYPLJW-APIJFGDWSA-N 2 1 284.400 -0.085 20 0 CBADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)CO ZINC000931763058 659522842 /nfs/dbraw/zinc/52/28/42/659522842.db2.gz DSYRZLRKDZBZFO-WCQYABFASA-N 2 1 251.330 -0.055 20 0 CBADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)CO ZINC000931763055 659523050 /nfs/dbraw/zinc/52/30/50/659523050.db2.gz DSYRZLRKDZBZFO-AAEUAGOBSA-N 2 1 251.330 -0.055 20 0 CBADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931880133 659542994 /nfs/dbraw/zinc/54/29/94/659542994.db2.gz UETYBZJVXKSGTB-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931880133 659543002 /nfs/dbraw/zinc/54/30/02/659543002.db2.gz UETYBZJVXKSGTB-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@@H]1CC[N@H+](CC)C1 ZINC000931886010 659552876 /nfs/dbraw/zinc/55/28/76/659552876.db2.gz IRJWRJFBYRWNCL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000931886010 659552879 /nfs/dbraw/zinc/55/28/79/659552879.db2.gz IRJWRJFBYRWNCL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[C@@H]1CC[NH+](CC)C1 ZINC000931886010 659552883 /nfs/dbraw/zinc/55/28/83/659552883.db2.gz IRJWRJFBYRWNCL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C)[C@@H]1CC[NH+](CC)C1 ZINC000931886010 659552888 /nfs/dbraw/zinc/55/28/88/659552888.db2.gz IRJWRJFBYRWNCL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000931888130 659555888 /nfs/dbraw/zinc/55/58/88/659555888.db2.gz ALJNUWDPUJRSDR-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000931888130 659555893 /nfs/dbraw/zinc/55/58/93/659555893.db2.gz ALJNUWDPUJRSDR-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000931888130 659555903 /nfs/dbraw/zinc/55/59/03/659555903.db2.gz ALJNUWDPUJRSDR-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000931888130 659555909 /nfs/dbraw/zinc/55/59/09/659555909.db2.gz ALJNUWDPUJRSDR-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](CCC(N)=O)CC(=O)NC1CC[NH+](CC)CC1 ZINC000932482637 659605478 /nfs/dbraw/zinc/60/54/78/659605478.db2.gz WROKXBYXPFCVKK-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989665633 659607242 /nfs/dbraw/zinc/60/72/42/659607242.db2.gz ILCNBRMEGYZNMT-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989665633 659607250 /nfs/dbraw/zinc/60/72/50/659607250.db2.gz ILCNBRMEGYZNMT-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989665633 659607255 /nfs/dbraw/zinc/60/72/55/659607255.db2.gz ILCNBRMEGYZNMT-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989665633 659607259 /nfs/dbraw/zinc/60/72/59/659607259.db2.gz ILCNBRMEGYZNMT-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CCO)C[C@@H]1C ZINC000989800065 659614809 /nfs/dbraw/zinc/61/48/09/659614809.db2.gz PMYUORRTNQWPIP-JQWIXIFHSA-N 2 1 266.345 -0.237 20 0 CBADMP CC[N@H+](CCC(=O)NC)C[C@@H](O)C[NH+]1CCCC1 ZINC000933868184 659743288 /nfs/dbraw/zinc/74/32/88/659743288.db2.gz WPJUBRJDFZQJQY-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[N@@H+](CCC(=O)NC)C[C@@H](O)C[NH+]1CCCC1 ZINC000933868184 659743294 /nfs/dbraw/zinc/74/32/94/659743294.db2.gz WPJUBRJDFZQJQY-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000990508393 659752918 /nfs/dbraw/zinc/75/29/18/659752918.db2.gz MCOJCINPWYMNAE-OLZOCXBDSA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000990508393 659752923 /nfs/dbraw/zinc/75/29/23/659752923.db2.gz MCOJCINPWYMNAE-OLZOCXBDSA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000990508393 659752927 /nfs/dbraw/zinc/75/29/27/659752927.db2.gz MCOJCINPWYMNAE-OLZOCXBDSA-N 2 1 294.399 -0.498 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(C)CC[NH+](C)CC1 ZINC000933991982 659754972 /nfs/dbraw/zinc/75/49/72/659754972.db2.gz KPBJRDZMOYSWLL-OAHLLOKOSA-N 2 1 286.464 -0.133 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C)CC[N@H+](C)CC1 ZINC000933991982 659754978 /nfs/dbraw/zinc/75/49/78/659754978.db2.gz KPBJRDZMOYSWLL-OAHLLOKOSA-N 2 1 286.464 -0.133 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C)CC[N@@H+](C)CC1 ZINC000933991982 659754984 /nfs/dbraw/zinc/75/49/84/659754984.db2.gz KPBJRDZMOYSWLL-OAHLLOKOSA-N 2 1 286.464 -0.133 20 0 CBADMP CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000990568988 659760079 /nfs/dbraw/zinc/76/00/79/659760079.db2.gz BHANEWBBWVMUQK-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000990568988 659760090 /nfs/dbraw/zinc/76/00/90/659760090.db2.gz BHANEWBBWVMUQK-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000934270010 659799119 /nfs/dbraw/zinc/79/91/19/659799119.db2.gz SDYUQCKTKPHAGD-ZNMIVQPWSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934270010 659799126 /nfs/dbraw/zinc/79/91/26/659799126.db2.gz SDYUQCKTKPHAGD-ZNMIVQPWSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934270010 659799140 /nfs/dbraw/zinc/79/91/40/659799140.db2.gz SDYUQCKTKPHAGD-ZNMIVQPWSA-N 2 1 285.432 -0.170 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)C1CC1 ZINC000934270746 659800099 /nfs/dbraw/zinc/80/00/99/659800099.db2.gz YCEAUCWLESNTIC-HRCADAONSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+](C[C@H](O)CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)C1CC1 ZINC000934270746 659800100 /nfs/dbraw/zinc/80/01/00/659800100.db2.gz YCEAUCWLESNTIC-HRCADAONSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+](C[C@H](O)CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)C1CC1 ZINC000934270746 659800103 /nfs/dbraw/zinc/80/01/03/659800103.db2.gz YCEAUCWLESNTIC-HRCADAONSA-N 2 1 297.443 -0.028 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000991723015 659842551 /nfs/dbraw/zinc/84/25/51/659842551.db2.gz RDWLIGBQBMZDOA-GFCCVEGCSA-N 2 1 294.399 -0.639 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000995552354 659902534 /nfs/dbraw/zinc/90/25/34/659902534.db2.gz QOHWLTSJGBTSQE-NWDGAFQWSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000995595030 659904834 /nfs/dbraw/zinc/90/48/34/659904834.db2.gz DFIQVHPMIRERRN-NEPJUHHUSA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000995595030 659904835 /nfs/dbraw/zinc/90/48/35/659904835.db2.gz DFIQVHPMIRERRN-NEPJUHHUSA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000995595037 659904981 /nfs/dbraw/zinc/90/49/81/659904981.db2.gz DFIQVHPMIRERRN-RYUDHWBXSA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000995595037 659904987 /nfs/dbraw/zinc/90/49/87/659904987.db2.gz DFIQVHPMIRERRN-RYUDHWBXSA-N 2 1 285.388 -0.864 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996046143 659922071 /nfs/dbraw/zinc/92/20/71/659922071.db2.gz ZTFCBGTWGIFGKG-NSHDSACASA-N 2 1 293.371 -0.497 20 0 CBADMP C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596692 659926869 /nfs/dbraw/zinc/92/68/69/659926869.db2.gz DVBRVHZCJRKBIH-WCQYABFASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596692 659926872 /nfs/dbraw/zinc/92/68/72/659926872.db2.gz DVBRVHZCJRKBIH-WCQYABFASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943210 659938744 /nfs/dbraw/zinc/93/87/44/659938744.db2.gz GDQWEZFVIWMPGZ-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943210 659938746 /nfs/dbraw/zinc/93/87/46/659938746.db2.gz GDQWEZFVIWMPGZ-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944531 659939322 /nfs/dbraw/zinc/93/93/22/659939322.db2.gz NANAKMZPWYXGSF-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)Cn2ccnc2)CC[N@H+]1CCO ZINC000948090248 659965740 /nfs/dbraw/zinc/96/57/40/659965740.db2.gz HNDBSDZIFQDBRW-VXGBXAGGSA-N 2 1 266.345 -0.156 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000950509026 659992779 /nfs/dbraw/zinc/99/27/79/659992779.db2.gz BDTJTHNFAPLGRG-QWHCGFSZSA-N 2 1 269.389 -0.289 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000950509026 659992781 /nfs/dbraw/zinc/99/27/81/659992781.db2.gz BDTJTHNFAPLGRG-QWHCGFSZSA-N 2 1 269.389 -0.289 20 0 CBADMP C[N@H+]1CCO[C@@H]2CN(c3ncnc4c3CC[NH2+]C4)C[C@H]21 ZINC001164672578 719380501 /nfs/dbraw/zinc/38/05/01/719380501.db2.gz YPTMQXDUMUXSHM-CHWSQXEVSA-N 2 1 275.356 -0.359 20 0 CBADMP O=C(N1CC[C@H]2C[N@H+](CCCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076465742 805578856 /nfs/dbraw/zinc/57/88/56/805578856.db2.gz TXMTZLLURFEXOC-UONOGXRCSA-N 2 1 293.411 -0.003 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076567677 805581223 /nfs/dbraw/zinc/58/12/23/805581223.db2.gz FBSUTPJPVKMBRO-RWMBFGLXSA-N 2 1 294.399 -0.783 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076567677 805581229 /nfs/dbraw/zinc/58/12/29/805581229.db2.gz FBSUTPJPVKMBRO-RWMBFGLXSA-N 2 1 294.399 -0.783 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076567677 805581236 /nfs/dbraw/zinc/58/12/36/805581236.db2.gz FBSUTPJPVKMBRO-RWMBFGLXSA-N 2 1 294.399 -0.783 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076567677 805581243 /nfs/dbraw/zinc/58/12/43/805581243.db2.gz FBSUTPJPVKMBRO-RWMBFGLXSA-N 2 1 294.399 -0.783 20 0 CBADMP CC[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000042468455 790325575 /nfs/dbraw/zinc/32/55/75/790325575.db2.gz NZKJSGZHSJHOOS-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[NH+]1CC(CNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000379452487 790510814 /nfs/dbraw/zinc/51/08/14/790510814.db2.gz CEFLPSCQDZSWGZ-UHFFFAOYSA-N 2 1 261.391 -0.533 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000381244129 790518535 /nfs/dbraw/zinc/51/85/35/790518535.db2.gz BWWXRXAWVXXHHE-MZHQWRCYSA-N 2 1 264.417 -0.182 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000385236890 790540569 /nfs/dbraw/zinc/54/05/69/790540569.db2.gz JXPIOLKNQUQFJD-OLZOCXBDSA-N 2 1 259.394 -0.404 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000386198461 790545148 /nfs/dbraw/zinc/54/51/48/790545148.db2.gz WFCPRMREPHVBPR-CHWSQXEVSA-N 2 1 259.394 -0.404 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000386198461 790545153 /nfs/dbraw/zinc/54/51/53/790545153.db2.gz WFCPRMREPHVBPR-CHWSQXEVSA-N 2 1 259.394 -0.404 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000386198461 790545157 /nfs/dbraw/zinc/54/51/57/790545157.db2.gz WFCPRMREPHVBPR-CHWSQXEVSA-N 2 1 259.394 -0.404 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000386291131 790546288 /nfs/dbraw/zinc/54/62/88/790546288.db2.gz CVHHIKKKVWUEOM-QWHCGFSZSA-N 2 1 259.394 -0.405 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000386527127 790548818 /nfs/dbraw/zinc/54/88/18/790548818.db2.gz OMLBLBQPDNBNAQ-XQQFMLRXSA-N 2 1 258.362 -0.306 20 0 CBADMP [NH3+][C@H](CC(F)F)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000388339983 790555155 /nfs/dbraw/zinc/55/51/55/790555155.db2.gz WRQZBCRFJZLZQM-KXUCPTDWSA-N 2 1 277.315 -0.052 20 0 CBADMP CNC(=O)C[NH+]1CCC(N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000392800525 790568884 /nfs/dbraw/zinc/56/88/84/790568884.db2.gz QBUSYNYCYFURIA-BOOVAVIHSA-N 2 1 292.427 -0.217 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000394133483 790576760 /nfs/dbraw/zinc/57/67/60/790576760.db2.gz OHPSKJUUHDHSKJ-QWHCGFSZSA-N 2 1 259.394 -0.404 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000394133483 790576763 /nfs/dbraw/zinc/57/67/63/790576763.db2.gz OHPSKJUUHDHSKJ-QWHCGFSZSA-N 2 1 259.394 -0.404 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000394133483 790576766 /nfs/dbraw/zinc/57/67/66/790576766.db2.gz OHPSKJUUHDHSKJ-QWHCGFSZSA-N 2 1 259.394 -0.404 20 0 CBADMP C[C@H]1COCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000399319518 790600718 /nfs/dbraw/zinc/60/07/18/790600718.db2.gz PONKEZWGQDTTIW-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP COCCOC[C@@H](O)C[NH2+]CCc1c[nH+]cn1C ZINC000401777682 790609428 /nfs/dbraw/zinc/60/94/28/790609428.db2.gz UOAXPCAHMSJZFU-LBPRGKRZSA-N 2 1 257.334 -0.424 20 0 CBADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCN1CCCS1(=O)=O ZINC000405396456 790616365 /nfs/dbraw/zinc/61/63/65/790616365.db2.gz TVEOPJDBXYODRS-NSHDSACASA-N 2 1 275.418 0.000 20 0 CBADMP CCNS(=O)(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405461730 790618764 /nfs/dbraw/zinc/61/87/64/790618764.db2.gz ZXMYSTIZSFTXTQ-VHSXEESVSA-N 2 1 261.391 -0.215 20 0 CBADMP CN(C)S(=O)(=O)CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405449843 790618833 /nfs/dbraw/zinc/61/88/33/790618833.db2.gz XKPYHPLNRWQZQX-UWVGGRQHSA-N 2 1 261.391 -0.263 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000690669412 790671311 /nfs/dbraw/zinc/67/13/11/790671311.db2.gz UAJPZOBQTNDGPI-QJPTWQEYSA-N 2 1 275.418 -0.002 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000690669417 790671564 /nfs/dbraw/zinc/67/15/64/790671564.db2.gz UAJPZOBQTNDGPI-SRVKXCTJSA-N 2 1 275.418 -0.002 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000692440870 790676718 /nfs/dbraw/zinc/67/67/18/790676718.db2.gz PTBWERJEUOUICJ-WDEREUQCSA-N 2 1 263.407 -0.002 20 0 CBADMP [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000693575438 790682208 /nfs/dbraw/zinc/68/22/08/790682208.db2.gz VXHVRVIMJTWQQZ-DDHJBXDOSA-N 2 1 253.346 -0.297 20 0 CBADMP C[C@]1(C[NH3+])CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000695043098 790686745 /nfs/dbraw/zinc/68/67/45/790686745.db2.gz WGXFSKHFUUBVJN-LLVKDONJSA-N 2 1 261.391 -0.307 20 0 CBADMP C[C@]1(C[NH3+])CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000695043098 790686748 /nfs/dbraw/zinc/68/67/48/790686748.db2.gz WGXFSKHFUUBVJN-LLVKDONJSA-N 2 1 261.391 -0.307 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000699326653 790700051 /nfs/dbraw/zinc/70/00/51/790700051.db2.gz HCAONRHRMYBWQJ-NSHDSACASA-N 2 1 263.407 -0.061 20 0 CBADMP C[N@@H+]1CCN(C(=O)CC[NH2+]C(C)(C)C)[C@@H](CO)C1 ZINC000699486759 790702154 /nfs/dbraw/zinc/70/21/54/790702154.db2.gz MKHKKDWGZAAICI-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CCN(C(=O)CC[NH2+]C(C)(C)C)[C@@H](CO)C1 ZINC000699486759 790702160 /nfs/dbraw/zinc/70/21/60/790702160.db2.gz MKHKKDWGZAAICI-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@H]1COCCN1C ZINC000700215285 790708444 /nfs/dbraw/zinc/70/84/44/790708444.db2.gz HSSYZKQVPVAHQE-STQMWFEESA-N 2 1 259.394 -0.391 20 0 CBADMP C[C@H](C[NH3+])C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000701653181 790718915 /nfs/dbraw/zinc/71/89/15/790718915.db2.gz DQJCIUSKFKIYMB-SNVBAGLBSA-N 2 1 263.407 -0.063 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)C[C@]2(C)C1 ZINC000702274916 790722276 /nfs/dbraw/zinc/72/22/76/790722276.db2.gz FNSMUAOBMSNOEW-DYEKYZERSA-N 2 1 267.373 -0.225 20 0 CBADMP C[N@@H+](C[C@@H](O)CNC[C@]1(O)CC[NH+](C)C1)C1CC1 ZINC000702561637 790722518 /nfs/dbraw/zinc/72/25/18/790722518.db2.gz JHVGNCRZEOECGV-QWHCGFSZSA-N 2 1 257.378 -0.902 20 0 CBADMP C[NH+](C[C@@H](O)CNC[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000702561637 790722529 /nfs/dbraw/zinc/72/25/29/790722529.db2.gz JHVGNCRZEOECGV-QWHCGFSZSA-N 2 1 257.378 -0.902 20 0 CBADMP C[NH+](C[C@@H](O)CNC[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000702561637 790722539 /nfs/dbraw/zinc/72/25/39/790722539.db2.gz JHVGNCRZEOECGV-QWHCGFSZSA-N 2 1 257.378 -0.902 20 0 CBADMP NS(=O)(=O)c1cccc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000711642323 790745563 /nfs/dbraw/zinc/74/55/63/790745563.db2.gz UKTCCFMLBQFFGG-UHFFFAOYSA-N 2 1 299.400 -0.436 20 0 CBADMP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000715100277 790751994 /nfs/dbraw/zinc/75/19/94/790751994.db2.gz GCZYLHQTPKRLAK-XQQFMLRXSA-N 2 1 267.373 -0.096 20 0 CBADMP C[C@@H]1[C@H](NC(=O)c2c(C[NH3+])cnn2C)CC[N@H+]1C ZINC000719410859 790759772 /nfs/dbraw/zinc/75/97/72/790759772.db2.gz RPILOUGYNOHBIJ-PSASIEDQSA-N 2 1 251.334 -0.299 20 0 CBADMP C[C@H]1[C@@H](NC(=O)c2c(C[NH3+])cnn2C)CC[N@H+]1C ZINC000719410862 790760528 /nfs/dbraw/zinc/76/05/28/790760528.db2.gz RPILOUGYNOHBIJ-WPRPVWTQSA-N 2 1 251.334 -0.299 20 0 CBADMP [NH3+]CCOCC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000720435693 790764573 /nfs/dbraw/zinc/76/45/73/790764573.db2.gz JSAIMYXLWGQVCD-QWRGUYRKSA-N 2 1 273.402 -0.342 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1CC[NH3+] ZINC000723883290 790801377 /nfs/dbraw/zinc/80/13/77/790801377.db2.gz OEGBVICZDJHAHE-NXEZZACHSA-N 2 1 254.334 -0.545 20 0 CBADMP CC1(C)NC(=O)N(CC[N@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000723679365 790801498 /nfs/dbraw/zinc/80/14/98/790801498.db2.gz AWEWEUINCGXORF-JTQLQIEISA-N 2 1 268.361 -0.013 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887319 790802002 /nfs/dbraw/zinc/80/20/02/790802002.db2.gz SRAJQOSUFJTCKK-JHJVBQTASA-N 2 1 260.378 -0.073 20 0 CBADMP Cn1c(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc(=O)n(C)c1=O ZINC000723678478 790802121 /nfs/dbraw/zinc/80/21/21/790802121.db2.gz SQAGOPQJFGUMBI-SNVBAGLBSA-N 2 1 266.345 -0.745 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1CC[NH3+] ZINC000723901626 790802723 /nfs/dbraw/zinc/80/27/23/790802723.db2.gz RWJRKNXDTCGXMX-NXEZZACHSA-N 2 1 268.361 -0.109 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000725050773 790816081 /nfs/dbraw/zinc/81/60/81/790816081.db2.gz DUHNTZZVWLMMKD-UHFFFAOYSA-N 2 1 272.349 -0.728 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000725050773 790816089 /nfs/dbraw/zinc/81/60/89/790816089.db2.gz DUHNTZZVWLMMKD-UHFFFAOYSA-N 2 1 272.349 -0.728 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)C1(C[NH3+])CCOCC1 ZINC000725048871 790816269 /nfs/dbraw/zinc/81/62/69/790816269.db2.gz QTEMFRVIIHMFIR-CYBMUJFWSA-N 2 1 289.420 -0.635 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000822123807 790832666 /nfs/dbraw/zinc/83/26/66/790832666.db2.gz FMATYRMMVBNEFM-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000822126690 790833094 /nfs/dbraw/zinc/83/30/94/790833094.db2.gz BLOITLFBFHAINX-KGLIPLIRSA-N 2 1 271.405 -0.247 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000827836822 790871210 /nfs/dbraw/zinc/87/12/10/790871210.db2.gz SZZHESSUYWDRET-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000827836822 790871224 /nfs/dbraw/zinc/87/12/24/790871224.db2.gz SZZHESSUYWDRET-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000890062390 790908353 /nfs/dbraw/zinc/90/83/53/790908353.db2.gz SMLRJFPHXDFCIE-QWHCGFSZSA-N 2 1 284.404 -0.211 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000890062390 790908360 /nfs/dbraw/zinc/90/83/60/790908360.db2.gz SMLRJFPHXDFCIE-QWHCGFSZSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001021906424 790968539 /nfs/dbraw/zinc/96/85/39/790968539.db2.gz NVQHFIYDRUVWJG-CHWFTXMASA-N 2 1 268.361 -0.809 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001021897305 790966128 /nfs/dbraw/zinc/96/61/28/790966128.db2.gz HMPQZVSCATUYRI-USZNOCQGSA-N 2 1 280.372 -0.794 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001022164876 790993828 /nfs/dbraw/zinc/99/38/28/790993828.db2.gz SNNYANZNADZLNS-RVMXOQNASA-N 2 1 296.415 -0.029 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022292700 791001504 /nfs/dbraw/zinc/00/15/04/791001504.db2.gz PUNKHJOHIUTKOS-AXFHLTTASA-N 2 1 268.361 -0.807 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022712758 791041090 /nfs/dbraw/zinc/04/10/90/791041090.db2.gz ZDWGBZMWXGMFFY-FVCCEPFGSA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022712760 791041272 /nfs/dbraw/zinc/04/12/72/791041272.db2.gz ZDWGBZMWXGMFFY-RVMXOQNASA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022716291 791041320 /nfs/dbraw/zinc/04/13/20/791041320.db2.gz UUUDSHYKILVXOI-GARJFASQSA-N 2 1 268.361 -0.950 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)C(N)=O ZINC001022712677 791041420 /nfs/dbraw/zinc/04/14/20/791041420.db2.gz XIXZKVLBCXZPQZ-WUHRBBMRSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)CC[N@H+]1C ZINC001077023465 805673045 /nfs/dbraw/zinc/67/30/45/805673045.db2.gz BASSWFRGCNOQCI-FMKGYKFTSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)CC[NH+]1C ZINC001077023465 805673049 /nfs/dbraw/zinc/67/30/49/805673049.db2.gz BASSWFRGCNOQCI-FMKGYKFTSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)CC[NH+]1C ZINC001077023465 805673058 /nfs/dbraw/zinc/67/30/58/805673058.db2.gz BASSWFRGCNOQCI-FMKGYKFTSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@H]2O)CC[N@H+]1C ZINC001077023468 805673868 /nfs/dbraw/zinc/67/38/68/805673868.db2.gz BGBBZSQSJFXJNF-FDYHWXHSSA-N 2 1 287.379 -0.153 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)CC[NH+]1C ZINC001077023468 805673873 /nfs/dbraw/zinc/67/38/73/805673873.db2.gz BGBBZSQSJFXJNF-FDYHWXHSSA-N 2 1 287.379 -0.153 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)CC[NH+]1C ZINC001077023468 805673879 /nfs/dbraw/zinc/67/38/79/805673879.db2.gz BGBBZSQSJFXJNF-FDYHWXHSSA-N 2 1 287.379 -0.153 20 0 CBADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[NH+]1CCCC1 ZINC001077503791 805739050 /nfs/dbraw/zinc/73/90/50/805739050.db2.gz DUVWPNZHJZFIJB-CHWSQXEVSA-N 2 1 299.415 -0.596 20 0 CBADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[NH+]1CCCC1 ZINC001077503791 805739057 /nfs/dbraw/zinc/73/90/57/805739057.db2.gz DUVWPNZHJZFIJB-CHWSQXEVSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)CC[N@H+]1C ZINC001077572828 805751701 /nfs/dbraw/zinc/75/17/01/805751701.db2.gz PLALVOHQTFXATF-IGQOVBAYSA-N 2 1 299.415 -0.740 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)CC[NH+]1C ZINC001077572828 805751709 /nfs/dbraw/zinc/75/17/09/805751709.db2.gz PLALVOHQTFXATF-IGQOVBAYSA-N 2 1 299.415 -0.740 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC[NH+]1C ZINC001077572828 805751718 /nfs/dbraw/zinc/75/17/18/805751718.db2.gz PLALVOHQTFXATF-IGQOVBAYSA-N 2 1 299.415 -0.740 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618419 805756755 /nfs/dbraw/zinc/75/67/55/805756755.db2.gz HYBLQFBXIBFOMH-CHWSQXEVSA-N 2 1 285.388 -0.864 20 0 CBADMP CCN1CC[C@H]([NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001147886278 814925096 /nfs/dbraw/zinc/92/50/96/814925096.db2.gz SWTYZGBPYVCUQR-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078006662 805824301 /nfs/dbraw/zinc/82/43/01/805824301.db2.gz AWHFZBJTGNEHEZ-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078006662 805824311 /nfs/dbraw/zinc/82/43/11/805824311.db2.gz AWHFZBJTGNEHEZ-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078006662 805824318 /nfs/dbraw/zinc/82/43/18/805824318.db2.gz AWHFZBJTGNEHEZ-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078006031 805823186 /nfs/dbraw/zinc/82/31/86/805823186.db2.gz QCVNCCXEYDVSAL-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078006031 805823194 /nfs/dbraw/zinc/82/31/94/805823194.db2.gz QCVNCCXEYDVSAL-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078006031 805823196 /nfs/dbraw/zinc/82/31/96/805823196.db2.gz QCVNCCXEYDVSAL-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@H]2O)C1 ZINC001078174545 805848750 /nfs/dbraw/zinc/84/87/50/805848750.db2.gz PATZNLMDTVFOGD-BFHYXJOUSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCC3)C[C@H]2O)C1 ZINC001078174545 805848758 /nfs/dbraw/zinc/84/87/58/805848758.db2.gz PATZNLMDTVFOGD-BFHYXJOUSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2O)C1 ZINC001078174545 805848767 /nfs/dbraw/zinc/84/87/67/805848767.db2.gz PATZNLMDTVFOGD-BFHYXJOUSA-N 2 1 281.400 -0.101 20 0 CBADMP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180265 805854318 /nfs/dbraw/zinc/85/43/18/805854318.db2.gz UZADHBJJEGDDMR-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180265 805854327 /nfs/dbraw/zinc/85/43/27/805854327.db2.gz UZADHBJJEGDDMR-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080941143 806016005 /nfs/dbraw/zinc/01/60/05/806016005.db2.gz UOHARTULQXFESR-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080941143 806016009 /nfs/dbraw/zinc/01/60/09/806016009.db2.gz UOHARTULQXFESR-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081446089 806082570 /nfs/dbraw/zinc/08/25/70/806082570.db2.gz OVLWFULEPQTXHK-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081446089 806082582 /nfs/dbraw/zinc/08/25/82/806082582.db2.gz OVLWFULEPQTXHK-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081446089 806082591 /nfs/dbraw/zinc/08/25/91/806082591.db2.gz OVLWFULEPQTXHK-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081446089 806082596 /nfs/dbraw/zinc/08/25/96/806082596.db2.gz OVLWFULEPQTXHK-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894046 806133187 /nfs/dbraw/zinc/13/31/87/806133187.db2.gz JDVZPBKSNYZCLG-CHWSQXEVSA-N 2 1 297.399 -0.578 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894046 806133194 /nfs/dbraw/zinc/13/31/94/806133194.db2.gz JDVZPBKSNYZCLG-CHWSQXEVSA-N 2 1 297.399 -0.578 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328881 806164292 /nfs/dbraw/zinc/16/42/92/806164292.db2.gz QCUQLUBSGGUTTO-VXGBXAGGSA-N 2 1 267.373 -0.083 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328794 806165107 /nfs/dbraw/zinc/16/51/07/806165107.db2.gz LUVPIIBFTRSQFY-JHJVBQTASA-N 2 1 297.399 -0.722 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001082377560 806169773 /nfs/dbraw/zinc/16/97/73/806169773.db2.gz VQZAJILMZCWRPD-MCIONIFRSA-N 2 1 299.415 -0.068 20 0 CBADMP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001082377560 806169778 /nfs/dbraw/zinc/16/97/78/806169778.db2.gz VQZAJILMZCWRPD-MCIONIFRSA-N 2 1 299.415 -0.068 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](OC)C1 ZINC001082377560 806169781 /nfs/dbraw/zinc/16/97/81/806169781.db2.gz VQZAJILMZCWRPD-MCIONIFRSA-N 2 1 299.415 -0.068 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](OC)C1 ZINC001082377560 806169784 /nfs/dbraw/zinc/16/97/84/806169784.db2.gz VQZAJILMZCWRPD-MCIONIFRSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369637 806169864 /nfs/dbraw/zinc/16/98/64/806169864.db2.gz VEYDQVKDCWHPEY-QJPTWQEYSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082369637 806169866 /nfs/dbraw/zinc/16/98/66/806169866.db2.gz VEYDQVKDCWHPEY-QJPTWQEYSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082369637 806169870 /nfs/dbraw/zinc/16/98/70/806169870.db2.gz VEYDQVKDCWHPEY-QJPTWQEYSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCO ZINC001082520440 806184651 /nfs/dbraw/zinc/18/46/51/806184651.db2.gz XDNAKZAVTVAOSG-FDYHWXHSSA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(N)=O ZINC001082742542 806193336 /nfs/dbraw/zinc/19/33/36/806193336.db2.gz JIMOHPUFHHHUQT-QJPTWQEYSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001083192732 806235162 /nfs/dbraw/zinc/23/51/62/806235162.db2.gz MTSYPCRRWLWMSE-MELADBBJSA-N 2 1 297.399 -0.625 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001083192732 806235170 /nfs/dbraw/zinc/23/51/70/806235170.db2.gz MTSYPCRRWLWMSE-MELADBBJSA-N 2 1 297.399 -0.625 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083192732 806235173 /nfs/dbraw/zinc/23/51/73/806235173.db2.gz MTSYPCRRWLWMSE-MELADBBJSA-N 2 1 297.399 -0.625 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083192732 806235180 /nfs/dbraw/zinc/23/51/80/806235180.db2.gz MTSYPCRRWLWMSE-MELADBBJSA-N 2 1 297.399 -0.625 20 0 CBADMP CC(C)[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372831 806289481 /nfs/dbraw/zinc/28/94/81/806289481.db2.gz GUVSZUFMFQSYHI-UTUOFQBUSA-N 2 1 255.362 -0.350 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372831 806289487 /nfs/dbraw/zinc/28/94/87/806289487.db2.gz GUVSZUFMFQSYHI-UTUOFQBUSA-N 2 1 255.362 -0.350 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083372831 806289495 /nfs/dbraw/zinc/28/94/95/806289495.db2.gz GUVSZUFMFQSYHI-UTUOFQBUSA-N 2 1 255.362 -0.350 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083372831 806289505 /nfs/dbraw/zinc/28/95/05/806289505.db2.gz GUVSZUFMFQSYHI-UTUOFQBUSA-N 2 1 255.362 -0.350 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2O)CC[N@H+]1C ZINC001083472505 806334493 /nfs/dbraw/zinc/33/44/93/806334493.db2.gz BGBBZSQSJFXJNF-LPWJVIDDSA-N 2 1 287.379 -0.153 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2O)CC[NH+]1C ZINC001083472505 806334502 /nfs/dbraw/zinc/33/45/02/806334502.db2.gz BGBBZSQSJFXJNF-LPWJVIDDSA-N 2 1 287.379 -0.153 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)CC[NH+]1C ZINC001083472505 806334512 /nfs/dbraw/zinc/33/45/12/806334512.db2.gz BGBBZSQSJFXJNF-LPWJVIDDSA-N 2 1 287.379 -0.153 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466273 806336758 /nfs/dbraw/zinc/33/67/58/806336758.db2.gz NNJJCJNBYXCWJT-XQQFMLRXSA-N 2 1 267.373 -0.491 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)O1 ZINC001083566494 806366830 /nfs/dbraw/zinc/36/68/30/806366830.db2.gz NOCXGTONDIYCTQ-RUZUBIRVSA-N 2 1 297.399 -0.723 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)O1 ZINC001083566494 806366839 /nfs/dbraw/zinc/36/68/39/806366839.db2.gz NOCXGTONDIYCTQ-RUZUBIRVSA-N 2 1 297.399 -0.723 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)O1 ZINC001083566494 806366847 /nfs/dbraw/zinc/36/68/47/806366847.db2.gz NOCXGTONDIYCTQ-RUZUBIRVSA-N 2 1 297.399 -0.723 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)O1 ZINC001083566494 806366856 /nfs/dbraw/zinc/36/68/56/806366856.db2.gz NOCXGTONDIYCTQ-RUZUBIRVSA-N 2 1 297.399 -0.723 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1O ZINC001083645184 806389521 /nfs/dbraw/zinc/38/95/21/806389521.db2.gz OQPQNHFJMMBKLW-NEPJUHHUSA-N 2 1 266.345 -0.239 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1O ZINC001083645184 806389532 /nfs/dbraw/zinc/38/95/32/806389532.db2.gz OQPQNHFJMMBKLW-NEPJUHHUSA-N 2 1 266.345 -0.239 20 0 CBADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696002 806405553 /nfs/dbraw/zinc/40/55/53/806405553.db2.gz DUVWPNZHJZFIJB-OLZOCXBDSA-N 2 1 299.415 -0.596 20 0 CBADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696002 806405557 /nfs/dbraw/zinc/40/55/57/806405557.db2.gz DUVWPNZHJZFIJB-OLZOCXBDSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)CC[N@H+]1C ZINC001083728300 806417820 /nfs/dbraw/zinc/41/78/20/806417820.db2.gz PLALVOHQTFXATF-FQUUOJAGSA-N 2 1 299.415 -0.740 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)CC[NH+]1C ZINC001083728300 806417825 /nfs/dbraw/zinc/41/78/25/806417825.db2.gz PLALVOHQTFXATF-FQUUOJAGSA-N 2 1 299.415 -0.740 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CC[NH+]1C ZINC001083728300 806417827 /nfs/dbraw/zinc/41/78/27/806417827.db2.gz PLALVOHQTFXATF-FQUUOJAGSA-N 2 1 299.415 -0.740 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749598 806423202 /nfs/dbraw/zinc/42/32/02/806423202.db2.gz HYBLQFBXIBFOMH-OLZOCXBDSA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750122 806422099 /nfs/dbraw/zinc/42/20/99/806422099.db2.gz GVQXSFCGMFPURG-YUTCNCBUSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833456 806442652 /nfs/dbraw/zinc/44/26/52/806442652.db2.gz BUFGANWZWOFFNZ-YUTCNCBUSA-N 2 1 299.415 -0.740 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887972 806456310 /nfs/dbraw/zinc/45/63/10/806456310.db2.gz UHXVBBXHCSARRY-OLZOCXBDSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887972 806456314 /nfs/dbraw/zinc/45/63/14/806456314.db2.gz UHXVBBXHCSARRY-OLZOCXBDSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959358 806470537 /nfs/dbraw/zinc/47/05/37/806470537.db2.gz SMFKOZPFTOZWQT-MNOVXSKESA-N 2 1 253.346 -0.737 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2O)C1 ZINC001083953464 806467395 /nfs/dbraw/zinc/46/73/95/806467395.db2.gz UEPJMOUUFSJOPV-XQQFMLRXSA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2O)C1 ZINC001083953464 806467399 /nfs/dbraw/zinc/46/73/99/806467399.db2.gz UEPJMOUUFSJOPV-XQQFMLRXSA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)C1 ZINC001083953464 806467403 /nfs/dbraw/zinc/46/74/03/806467403.db2.gz UEPJMOUUFSJOPV-XQQFMLRXSA-N 2 1 287.379 -0.151 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083962060 806471017 /nfs/dbraw/zinc/47/10/17/806471017.db2.gz UDDSGUDKYDEMMG-YPMHNXCESA-N 2 1 278.356 -0.058 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2O)C1 ZINC001084053706 806482097 /nfs/dbraw/zinc/48/20/97/806482097.db2.gz HYMFIYJMADGMOT-TUAOUCFPSA-N 2 1 273.352 -0.541 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2O)C1 ZINC001084053706 806482100 /nfs/dbraw/zinc/48/21/00/806482100.db2.gz HYMFIYJMADGMOT-TUAOUCFPSA-N 2 1 273.352 -0.541 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)C1 ZINC001084053706 806482104 /nfs/dbraw/zinc/48/21/04/806482104.db2.gz HYMFIYJMADGMOT-TUAOUCFPSA-N 2 1 273.352 -0.541 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21 ZINC001084455476 806519461 /nfs/dbraw/zinc/51/94/61/806519461.db2.gz WUOFCKHMUXOXFO-MGPQQGTHSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084455476 806519467 /nfs/dbraw/zinc/51/94/67/806519467.db2.gz WUOFCKHMUXOXFO-MGPQQGTHSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084455476 806519474 /nfs/dbraw/zinc/51/94/74/806519474.db2.gz WUOFCKHMUXOXFO-MGPQQGTHSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)CC1 ZINC001148161627 814931701 /nfs/dbraw/zinc/93/17/01/814931701.db2.gz YEKKSGFMPKWQBV-UHFFFAOYSA-N 2 1 281.400 -0.145 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCO)[C@H]3C2)C1 ZINC001084911728 806541454 /nfs/dbraw/zinc/54/14/54/806541454.db2.gz XDFPHJMXZUAHNQ-RDBSUJKOSA-N 2 1 297.399 -0.768 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCO)[C@H]3C2)C1 ZINC001084911728 806541461 /nfs/dbraw/zinc/54/14/61/806541461.db2.gz XDFPHJMXZUAHNQ-RDBSUJKOSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCO)[C@H]3C2)C1 ZINC001084911728 806541468 /nfs/dbraw/zinc/54/14/68/806541468.db2.gz XDFPHJMXZUAHNQ-RDBSUJKOSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@H]3C2)C1 ZINC001084911728 806541474 /nfs/dbraw/zinc/54/14/74/806541474.db2.gz XDFPHJMXZUAHNQ-RDBSUJKOSA-N 2 1 297.399 -0.768 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(CC(N)=O)C[C@H]21 ZINC001084832961 806538943 /nfs/dbraw/zinc/53/89/43/806538943.db2.gz HQCJNWQXKSCLCM-VXGBXAGGSA-N 2 1 291.355 -0.790 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCO)C1 ZINC001085159553 806548404 /nfs/dbraw/zinc/54/84/04/806548404.db2.gz ZBKPGUOUXLZOFN-UPJWGTAASA-N 2 1 285.388 -0.674 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCO)C1 ZINC001085159553 806548412 /nfs/dbraw/zinc/54/84/12/806548412.db2.gz ZBKPGUOUXLZOFN-UPJWGTAASA-N 2 1 285.388 -0.674 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001148174749 814931982 /nfs/dbraw/zinc/93/19/82/814931982.db2.gz SVTLSSSICDYRBG-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001148174749 814931988 /nfs/dbraw/zinc/93/19/88/814931988.db2.gz SVTLSSSICDYRBG-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086047350 806639480 /nfs/dbraw/zinc/63/94/80/806639480.db2.gz NLDVMKVOWUBUIO-GRYCIOLGSA-N 2 1 255.362 -0.443 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022806803 798842252 /nfs/dbraw/zinc/84/22/52/798842252.db2.gz ARDLCSNVKWBJJB-FRRDWIJNSA-N 2 1 296.415 -0.029 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001022838389 798843120 /nfs/dbraw/zinc/84/31/20/798843120.db2.gz MNXUATOKEDRXLT-RNJOBUHISA-N 2 1 294.399 -0.275 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001022838390 798843499 /nfs/dbraw/zinc/84/34/99/798843499.db2.gz MNXUATOKEDRXLT-XQHKEYJVSA-N 2 1 294.399 -0.275 20 0 CBADMP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001023086873 798879339 /nfs/dbraw/zinc/87/93/39/798879339.db2.gz ZVURNLRDAYIRSJ-RVMXOQNASA-N 2 1 294.399 -0.594 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001023084112 798879538 /nfs/dbraw/zinc/87/95/38/798879538.db2.gz JCNCGSLAIMMCNO-WISYIIOYSA-N 2 1 280.372 -0.937 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001023083885 798880045 /nfs/dbraw/zinc/88/00/45/798880045.db2.gz CGLUCNZFXSIBJV-XWLWVQCSSA-N 2 1 268.361 -0.951 20 0 CBADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023088798 798881570 /nfs/dbraw/zinc/88/15/70/798881570.db2.gz JSWHKWMOIFTEJS-PHIMTYICSA-N 2 1 293.375 -0.957 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001023115486 798883748 /nfs/dbraw/zinc/88/37/48/798883748.db2.gz MNGJVZNKCSBRBS-RVMXOQNASA-N 2 1 285.388 -0.675 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001023115486 798883754 /nfs/dbraw/zinc/88/37/54/798883754.db2.gz MNGJVZNKCSBRBS-RVMXOQNASA-N 2 1 285.388 -0.675 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001023115487 798883800 /nfs/dbraw/zinc/88/38/00/798883800.db2.gz MNGJVZNKCSBRBS-WUHRBBMRSA-N 2 1 285.388 -0.675 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001023115487 798883808 /nfs/dbraw/zinc/88/38/08/798883808.db2.gz MNGJVZNKCSBRBS-WUHRBBMRSA-N 2 1 285.388 -0.675 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001023128672 798885021 /nfs/dbraw/zinc/88/50/21/798885021.db2.gz OBEZOPXPIHQYGN-WUHRBBMRSA-N 2 1 296.415 -0.029 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001023273501 798896728 /nfs/dbraw/zinc/89/67/28/798896728.db2.gz NGXIYPWMBVMBTR-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001023273501 798896733 /nfs/dbraw/zinc/89/67/33/798896733.db2.gz NGXIYPWMBVMBTR-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001023273501 798896739 /nfs/dbraw/zinc/89/67/39/798896739.db2.gz NGXIYPWMBVMBTR-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001023273501 798896743 /nfs/dbraw/zinc/89/67/43/798896743.db2.gz NGXIYPWMBVMBTR-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001023292159 798897566 /nfs/dbraw/zinc/89/75/66/798897566.db2.gz QNDANFDXLTUBDZ-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001023292159 798897570 /nfs/dbraw/zinc/89/75/70/798897570.db2.gz QNDANFDXLTUBDZ-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001023292159 798897572 /nfs/dbraw/zinc/89/75/72/798897572.db2.gz QNDANFDXLTUBDZ-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001023292159 798897575 /nfs/dbraw/zinc/89/75/75/798897575.db2.gz QNDANFDXLTUBDZ-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+](CCO)C2)C1 ZINC001023292157 798898154 /nfs/dbraw/zinc/89/81/54/798898154.db2.gz QNDANFDXLTUBDZ-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+](CCO)C2)C1 ZINC001023292157 798898160 /nfs/dbraw/zinc/89/81/60/798898160.db2.gz QNDANFDXLTUBDZ-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001023292157 798898163 /nfs/dbraw/zinc/89/81/63/798898163.db2.gz QNDANFDXLTUBDZ-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001023292157 798898168 /nfs/dbraw/zinc/89/81/68/798898168.db2.gz QNDANFDXLTUBDZ-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP COCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023292371 798898814 /nfs/dbraw/zinc/89/88/14/798898814.db2.gz VAPHGOFFZHPNAX-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023292371 798898822 /nfs/dbraw/zinc/89/88/22/798898822.db2.gz VAPHGOFFZHPNAX-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023292371 798898829 /nfs/dbraw/zinc/89/88/29/798898829.db2.gz VAPHGOFFZHPNAX-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023292371 798898835 /nfs/dbraw/zinc/89/88/35/798898835.db2.gz VAPHGOFFZHPNAX-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024375294 798935384 /nfs/dbraw/zinc/93/53/84/798935384.db2.gz QLWLSRYXPWCTOO-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024375294 798935386 /nfs/dbraw/zinc/93/53/86/798935386.db2.gz QLWLSRYXPWCTOO-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001024375294 798935388 /nfs/dbraw/zinc/93/53/88/798935388.db2.gz QLWLSRYXPWCTOO-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001024375294 798935390 /nfs/dbraw/zinc/93/53/90/798935390.db2.gz QLWLSRYXPWCTOO-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP 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 798971863 /nfs/dbraw/zinc/97/18/63/798971863.db2.gz IBCZPPDLIUJKAD-FPYNETTCSA-N 2 1 294.399 -0.609 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001025707992 798971870 /nfs/dbraw/zinc/97/18/70/798971870.db2.gz IBCZPPDLIUJKAD-FPYNETTCSA-N 2 1 294.399 -0.609 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001025707992 798971877 /nfs/dbraw/zinc/97/18/77/798971877.db2.gz IBCZPPDLIUJKAD-FPYNETTCSA-N 2 1 294.399 -0.609 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001025708335 798972472 /nfs/dbraw/zinc/97/24/72/798972472.db2.gz PGOZZTKUSNBVOX-IEECTRCBSA-N 2 1 294.399 -0.739 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001025708335 798972473 /nfs/dbraw/zinc/97/24/73/798972473.db2.gz PGOZZTKUSNBVOX-IEECTRCBSA-N 2 1 294.399 -0.739 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001025708335 798972475 /nfs/dbraw/zinc/97/24/75/798972475.db2.gz PGOZZTKUSNBVOX-IEECTRCBSA-N 2 1 294.399 -0.739 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001026040814 798987439 /nfs/dbraw/zinc/98/74/39/798987439.db2.gz IMOWJWRTYBPPDK-MOWSAHLDSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001026040814 798987444 /nfs/dbraw/zinc/98/74/44/798987444.db2.gz IMOWJWRTYBPPDK-MOWSAHLDSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001026040814 798987448 /nfs/dbraw/zinc/98/74/48/798987448.db2.gz IMOWJWRTYBPPDK-MOWSAHLDSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC001026040814 798987456 /nfs/dbraw/zinc/98/74/56/798987456.db2.gz IMOWJWRTYBPPDK-MOWSAHLDSA-N 2 1 294.399 -0.609 20 0 CBADMP 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 798993170 /nfs/dbraw/zinc/99/31/70/798993170.db2.gz SMOKTVWKUVFTMI-LBELIVKGSA-N 2 1 294.399 -0.752 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001026146081 798993175 /nfs/dbraw/zinc/99/31/75/798993175.db2.gz SMOKTVWKUVFTMI-LBELIVKGSA-N 2 1 294.399 -0.752 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001026146081 798993180 /nfs/dbraw/zinc/99/31/80/798993180.db2.gz SMOKTVWKUVFTMI-LBELIVKGSA-N 2 1 294.399 -0.752 20 0 CBADMP 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 798993382 /nfs/dbraw/zinc/99/33/82/798993382.db2.gz SMOKTVWKUVFTMI-BNDIWNMDSA-N 2 1 294.399 -0.752 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001026146078 798993390 /nfs/dbraw/zinc/99/33/90/798993390.db2.gz SMOKTVWKUVFTMI-BNDIWNMDSA-N 2 1 294.399 -0.752 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001026146078 798993393 /nfs/dbraw/zinc/99/33/93/798993393.db2.gz SMOKTVWKUVFTMI-BNDIWNMDSA-N 2 1 294.399 -0.752 20 0 CBADMP 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 798993535 /nfs/dbraw/zinc/99/35/35/798993535.db2.gz OCHNKNBVPZUHJJ-OBPIAQAESA-N 2 1 267.373 -0.635 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001026145832 798993542 /nfs/dbraw/zinc/99/35/42/798993542.db2.gz OCHNKNBVPZUHJJ-OBPIAQAESA-N 2 1 267.373 -0.635 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001026145832 798993547 /nfs/dbraw/zinc/99/35/47/798993547.db2.gz OCHNKNBVPZUHJJ-OBPIAQAESA-N 2 1 267.373 -0.635 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](C)O)C[C@H]32)C1 ZINC001026147850 798993668 /nfs/dbraw/zinc/99/36/68/798993668.db2.gz SZKGMJDEJKFONE-ODXJTPSBSA-N 2 1 297.399 -0.866 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](C)O)C[C@H]32)C1 ZINC001026147850 798993672 /nfs/dbraw/zinc/99/36/72/798993672.db2.gz SZKGMJDEJKFONE-ODXJTPSBSA-N 2 1 297.399 -0.866 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](C)O)C[C@H]32)C1 ZINC001026147850 798993678 /nfs/dbraw/zinc/99/36/78/798993678.db2.gz SZKGMJDEJKFONE-ODXJTPSBSA-N 2 1 297.399 -0.866 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](C)O)C[C@H]32)C1 ZINC001026147850 798993683 /nfs/dbraw/zinc/99/36/83/798993683.db2.gz SZKGMJDEJKFONE-ODXJTPSBSA-N 2 1 297.399 -0.866 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CCC([NH2+]CCO)CC2)C1 ZINC001026470811 799005356 /nfs/dbraw/zinc/00/53/56/799005356.db2.gz QTSZTIQAEAXJIF-WXRRBKDZSA-N 2 1 285.388 -0.674 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC2CCC([NH2+]CCO)CC2)C1 ZINC001026470811 799005363 /nfs/dbraw/zinc/00/53/63/799005363.db2.gz QTSZTIQAEAXJIF-WXRRBKDZSA-N 2 1 285.388 -0.674 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026515785 799006780 /nfs/dbraw/zinc/00/67/80/799006780.db2.gz JRIJJWNPTVMTGF-WXRRBKDZSA-N 2 1 296.415 -0.027 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026528397 799008270 /nfs/dbraw/zinc/00/82/70/799008270.db2.gz JIOKTLYXFTYRHM-UHFFFAOYSA-N 2 1 293.371 -0.306 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CCC([NH2+]CCO)CC2)C1 ZINC001026609018 799010522 /nfs/dbraw/zinc/01/05/22/799010522.db2.gz UUALDCBRZNBZNG-RUXDESIVSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC2CCC([NH2+]CCO)CC2)C1 ZINC001026609018 799010524 /nfs/dbraw/zinc/01/05/24/799010524.db2.gz UUALDCBRZNBZNG-RUXDESIVSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CCC([NH2+]CCO)CC2)C1 ZINC001026609017 799010961 /nfs/dbraw/zinc/01/09/61/799010961.db2.gz UUALDCBRZNBZNG-JXQTWKCFSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CCC([NH2+]CCO)CC2)C1 ZINC001026609017 799010967 /nfs/dbraw/zinc/01/09/67/799010967.db2.gz UUALDCBRZNBZNG-JXQTWKCFSA-N 2 1 299.415 -0.284 20 0 CBADMP CC(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001027453047 799049064 /nfs/dbraw/zinc/04/90/64/799049064.db2.gz YLFCMJZIFIYVLL-JSGCOSHPSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001027453047 799049069 /nfs/dbraw/zinc/04/90/69/799049069.db2.gz YLFCMJZIFIYVLL-JSGCOSHPSA-N 2 1 298.431 -0.019 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027465449 799050789 /nfs/dbraw/zinc/05/07/89/799050789.db2.gz OAMTWBCKXSKZTF-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027465449 799050794 /nfs/dbraw/zinc/05/07/94/799050794.db2.gz OAMTWBCKXSKZTF-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001027465449 799050797 /nfs/dbraw/zinc/05/07/97/799050797.db2.gz OAMTWBCKXSKZTF-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001027465449 799050801 /nfs/dbraw/zinc/05/08/01/799050801.db2.gz OAMTWBCKXSKZTF-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001027578630 799058020 /nfs/dbraw/zinc/05/80/20/799058020.db2.gz PEECSKWWJMBECQ-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001027578630 799058023 /nfs/dbraw/zinc/05/80/23/799058023.db2.gz PEECSKWWJMBECQ-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP O=C(NC[C@H]1CCC[N@@H+]1CCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001027885362 799094778 /nfs/dbraw/zinc/09/47/78/799094778.db2.gz DCCVZKDMBVWOHU-ZIAGYGMSSA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028265807 799119443 /nfs/dbraw/zinc/11/94/43/799119443.db2.gz KMDCJRJDUWYGEO-RYUDHWBXSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028265807 799119446 /nfs/dbraw/zinc/11/94/46/799119446.db2.gz KMDCJRJDUWYGEO-RYUDHWBXSA-N 2 1 294.399 -0.463 20 0 CBADMP CNC(=O)CN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028314842 799122727 /nfs/dbraw/zinc/12/27/27/799122727.db2.gz DZBXIWDKZILOFA-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028314842 799122732 /nfs/dbraw/zinc/12/27/32/799122732.db2.gz DZBXIWDKZILOFA-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028314842 799122735 /nfs/dbraw/zinc/12/27/35/799122735.db2.gz DZBXIWDKZILOFA-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001028314842 799122737 /nfs/dbraw/zinc/12/27/37/799122737.db2.gz DZBXIWDKZILOFA-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028314842 799122741 /nfs/dbraw/zinc/12/27/41/799122741.db2.gz DZBXIWDKZILOFA-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2CC(N)=O)C1 ZINC001028315310 799123269 /nfs/dbraw/zinc/12/32/69/799123269.db2.gz HUBACRZHOZSERX-MNOVXSKESA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)C1 ZINC001028315310 799123272 /nfs/dbraw/zinc/12/32/72/799123272.db2.gz HUBACRZHOZSERX-MNOVXSKESA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)C1 ZINC001028315310 799123274 /nfs/dbraw/zinc/12/32/74/799123274.db2.gz HUBACRZHOZSERX-MNOVXSKESA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001028315310 799123277 /nfs/dbraw/zinc/12/32/77/799123277.db2.gz HUBACRZHOZSERX-MNOVXSKESA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001028315310 799123278 /nfs/dbraw/zinc/12/32/78/799123278.db2.gz HUBACRZHOZSERX-MNOVXSKESA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCO)C1 ZINC001028445355 799137574 /nfs/dbraw/zinc/13/75/74/799137574.db2.gz ODKGKQQRPOXGHR-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCO)C1 ZINC001028445355 799137578 /nfs/dbraw/zinc/13/75/78/799137578.db2.gz ODKGKQQRPOXGHR-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001028445355 799137583 /nfs/dbraw/zinc/13/75/83/799137583.db2.gz ODKGKQQRPOXGHR-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028546328 799151972 /nfs/dbraw/zinc/15/19/72/799151972.db2.gz ZEBNVPNOTCZRTI-AAEUAGOBSA-N 2 1 294.399 -0.748 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)CC[N@H+]1C ZINC001028549187 799152034 /nfs/dbraw/zinc/15/20/34/799152034.db2.gz NOUVZKZBKQCPBN-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](CCO)C2)CC[NH+]1C ZINC001028549187 799152036 /nfs/dbraw/zinc/15/20/36/799152036.db2.gz NOUVZKZBKQCPBN-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001028549187 799152038 /nfs/dbraw/zinc/15/20/38/799152038.db2.gz NOUVZKZBKQCPBN-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP NC(=O)C[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028659894 799159574 /nfs/dbraw/zinc/15/95/74/799159574.db2.gz ZQJXXRLZOQFMNP-LBPRGKRZSA-N 2 1 294.399 -0.462 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028931416 799181535 /nfs/dbraw/zinc/18/15/35/799181535.db2.gz QEFGLHARROQYSC-RYUDHWBXSA-N 2 1 294.399 -0.606 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001028982440 799184646 /nfs/dbraw/zinc/18/46/46/799184646.db2.gz KWYAFCDYMGTZSD-STQMWFEESA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001028982440 799184648 /nfs/dbraw/zinc/18/46/48/799184648.db2.gz KWYAFCDYMGTZSD-STQMWFEESA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001028982440 799184652 /nfs/dbraw/zinc/18/46/52/799184652.db2.gz KWYAFCDYMGTZSD-STQMWFEESA-N 2 1 269.389 -0.241 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001031384822 799481316 /nfs/dbraw/zinc/48/13/16/799481316.db2.gz NDLAQBLQHKCXRJ-NWDGAFQWSA-N 2 1 267.373 -0.225 20 0 CBADMP O=C(C[NH+]1CCCC1)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001031390445 799484047 /nfs/dbraw/zinc/48/40/47/799484047.db2.gz MZQACEKBSHKAKB-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031578499 799512568 /nfs/dbraw/zinc/51/25/68/799512568.db2.gz ZGSWXNIEMMXQSN-LBPRGKRZSA-N 2 1 255.362 -0.489 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031593316 799515216 /nfs/dbraw/zinc/51/52/16/799515216.db2.gz CTZXPBITAQYAOY-GFCCVEGCSA-N 2 1 271.361 -0.989 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031593316 799515219 /nfs/dbraw/zinc/51/52/19/799515219.db2.gz CTZXPBITAQYAOY-GFCCVEGCSA-N 2 1 271.361 -0.989 20 0 CBADMP O=C(NCC1C[NH+](CCCO)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688225 799534158 /nfs/dbraw/zinc/53/41/58/799534158.db2.gz ATDJGQLZPRXDJQ-KGLIPLIRSA-N 2 1 297.399 -0.720 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCn3cncn3)C2)C1 ZINC001032185842 799589945 /nfs/dbraw/zinc/58/99/45/799589945.db2.gz DEWVCCHYUMZSNG-CYBMUJFWSA-N 2 1 292.387 -0.722 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)CC[N@@H+]1C ZINC001032413634 799625498 /nfs/dbraw/zinc/62/54/98/799625498.db2.gz NRMUUXDAJPZPBT-XDQVBPFNSA-N 2 1 281.400 -0.006 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)CC[N@H+]1C ZINC001032413634 799625500 /nfs/dbraw/zinc/62/55/00/799625500.db2.gz NRMUUXDAJPZPBT-XDQVBPFNSA-N 2 1 281.400 -0.006 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)CC[NH+]1C ZINC001032413634 799625502 /nfs/dbraw/zinc/62/55/02/799625502.db2.gz NRMUUXDAJPZPBT-XDQVBPFNSA-N 2 1 281.400 -0.006 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)CC[NH+]1C ZINC001032413634 799625504 /nfs/dbraw/zinc/62/55/04/799625504.db2.gz NRMUUXDAJPZPBT-XDQVBPFNSA-N 2 1 281.400 -0.006 20 0 CBADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](C)O)[NH+](C)C ZINC001032474649 799633277 /nfs/dbraw/zinc/63/32/77/799633277.db2.gz GTZCHYATENYBRW-ZDEQEGDKSA-N 2 1 269.389 -0.008 20 0 CBADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](C)O)[NH+](C)C ZINC001032474649 799633280 /nfs/dbraw/zinc/63/32/80/799633280.db2.gz GTZCHYATENYBRW-ZDEQEGDKSA-N 2 1 269.389 -0.008 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO ZINC001032626367 799650556 /nfs/dbraw/zinc/65/05/56/799650556.db2.gz DPXQZIMIXACYFC-AGIUHOORSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO ZINC001032626367 799650564 /nfs/dbraw/zinc/65/05/64/799650564.db2.gz DPXQZIMIXACYFC-AGIUHOORSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032626367 799650569 /nfs/dbraw/zinc/65/05/69/799650569.db2.gz DPXQZIMIXACYFC-AGIUHOORSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032626367 799650574 /nfs/dbraw/zinc/65/05/74/799650574.db2.gz DPXQZIMIXACYFC-AGIUHOORSA-N 2 1 267.373 -0.252 20 0 CBADMP Cn1cncc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032759257 799663396 /nfs/dbraw/zinc/66/33/96/799663396.db2.gz FZJJSORQUKMEMN-STQMWFEESA-N 2 1 278.356 -0.370 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032781092 799668413 /nfs/dbraw/zinc/66/84/13/799668413.db2.gz JEXCNAMOIOTYGZ-WOPDTQHZSA-N 2 1 253.346 -0.785 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032781092 799668414 /nfs/dbraw/zinc/66/84/14/799668414.db2.gz JEXCNAMOIOTYGZ-WOPDTQHZSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)C1 ZINC001032781092 799668417 /nfs/dbraw/zinc/66/84/17/799668417.db2.gz JEXCNAMOIOTYGZ-WOPDTQHZSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)C1 ZINC001032781092 799668419 /nfs/dbraw/zinc/66/84/19/799668419.db2.gz JEXCNAMOIOTYGZ-WOPDTQHZSA-N 2 1 253.346 -0.785 20 0 CBADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032783869 799668789 /nfs/dbraw/zinc/66/87/89/799668789.db2.gz WWFAOGIRUIDOMS-AVGNSLFASA-N 2 1 292.383 -0.744 20 0 CBADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032783869 799668792 /nfs/dbraw/zinc/66/87/92/799668792.db2.gz WWFAOGIRUIDOMS-AVGNSLFASA-N 2 1 292.383 -0.744 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CCO)C2)CC[N@H+]1C ZINC001033091928 799716081 /nfs/dbraw/zinc/71/60/81/799716081.db2.gz OBYCQPLZPDZEIA-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCO)C2)CC[NH+]1C ZINC001033091928 799716084 /nfs/dbraw/zinc/71/60/84/799716084.db2.gz OBYCQPLZPDZEIA-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001033091928 799716087 /nfs/dbraw/zinc/71/60/87/799716087.db2.gz OBYCQPLZPDZEIA-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCCO)C2)O1 ZINC001033185281 799724065 /nfs/dbraw/zinc/72/40/65/799724065.db2.gz MYKHJTKHTRPMNQ-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCCO)C2)O1 ZINC001033185281 799724066 /nfs/dbraw/zinc/72/40/66/799724066.db2.gz MYKHJTKHTRPMNQ-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCCO)C2)O1 ZINC001033185281 799724067 /nfs/dbraw/zinc/72/40/67/799724067.db2.gz MYKHJTKHTRPMNQ-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCCO)C2)O1 ZINC001033185281 799724069 /nfs/dbraw/zinc/72/40/69/799724069.db2.gz MYKHJTKHTRPMNQ-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033581339 799769163 /nfs/dbraw/zinc/76/91/63/799769163.db2.gz JPZQXEVFIYFCIC-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033581339 799769168 /nfs/dbraw/zinc/76/91/68/799769168.db2.gz JPZQXEVFIYFCIC-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033581339 799769172 /nfs/dbraw/zinc/76/91/72/799769172.db2.gz JPZQXEVFIYFCIC-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033581339 799769177 /nfs/dbraw/zinc/76/91/77/799769177.db2.gz JPZQXEVFIYFCIC-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033659707 799777417 /nfs/dbraw/zinc/77/74/17/799777417.db2.gz FLYPRICLOFEJQZ-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033659707 799777423 /nfs/dbraw/zinc/77/74/23/799777423.db2.gz FLYPRICLOFEJQZ-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033659707 799777429 /nfs/dbraw/zinc/77/74/29/799777429.db2.gz FLYPRICLOFEJQZ-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033659707 799777432 /nfs/dbraw/zinc/77/74/32/799777432.db2.gz FLYPRICLOFEJQZ-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664018 799777775 /nfs/dbraw/zinc/77/77/75/799777775.db2.gz BGXQFPSSJBKOAZ-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664018 799777780 /nfs/dbraw/zinc/77/77/80/799777780.db2.gz BGXQFPSSJBKOAZ-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033661000 799778020 /nfs/dbraw/zinc/77/80/20/799778020.db2.gz JZAMQLAQZATBIZ-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033661000 799778027 /nfs/dbraw/zinc/77/80/27/799778027.db2.gz JZAMQLAQZATBIZ-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033661000 799778032 /nfs/dbraw/zinc/77/80/32/799778032.db2.gz JZAMQLAQZATBIZ-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033661000 799778037 /nfs/dbraw/zinc/77/80/37/799778037.db2.gz JZAMQLAQZATBIZ-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033777286 799789179 /nfs/dbraw/zinc/78/91/79/799789179.db2.gz UOOUPPPKBOZTPE-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCO)C1 ZINC001033777286 799789183 /nfs/dbraw/zinc/78/91/83/799789183.db2.gz UOOUPPPKBOZTPE-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCO)C1 ZINC001033777286 799789189 /nfs/dbraw/zinc/78/91/89/799789189.db2.gz UOOUPPPKBOZTPE-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCO)C1 ZINC001033777290 799789525 /nfs/dbraw/zinc/78/95/25/799789525.db2.gz UOOUPPPKBOZTPE-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCO)C1 ZINC001033777290 799789530 /nfs/dbraw/zinc/78/95/30/799789530.db2.gz UOOUPPPKBOZTPE-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCO)C1 ZINC001033777290 799789533 /nfs/dbraw/zinc/78/95/33/799789533.db2.gz UOOUPPPKBOZTPE-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)CC1 ZINC001034379175 799835331 /nfs/dbraw/zinc/83/53/31/799835331.db2.gz BUEDQTLXTKGTDW-CYBMUJFWSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)CC1 ZINC001034379175 799835338 /nfs/dbraw/zinc/83/53/38/799835338.db2.gz BUEDQTLXTKGTDW-CYBMUJFWSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](CCO)C2)C1 ZINC001034523967 799844783 /nfs/dbraw/zinc/84/47/83/799844783.db2.gz CVDBOLNBIVRWCC-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCO)C2)C1 ZINC001034523967 799844787 /nfs/dbraw/zinc/84/47/87/799844787.db2.gz CVDBOLNBIVRWCC-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)C1 ZINC001034523967 799844791 /nfs/dbraw/zinc/84/47/91/799844791.db2.gz CVDBOLNBIVRWCC-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034525407 799845204 /nfs/dbraw/zinc/84/52/04/799845204.db2.gz MDXFZGFSYRYVAC-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034525407 799845209 /nfs/dbraw/zinc/84/52/09/799845209.db2.gz MDXFZGFSYRYVAC-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)C1 ZINC001034525407 799845213 /nfs/dbraw/zinc/84/52/13/799845213.db2.gz MDXFZGFSYRYVAC-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)C1 ZINC001034525407 799845220 /nfs/dbraw/zinc/84/52/20/799845220.db2.gz MDXFZGFSYRYVAC-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034739188 799853860 /nfs/dbraw/zinc/85/38/60/799853860.db2.gz YUMPTMVPAOUUDM-LPWJVIDDSA-N 2 1 296.415 -0.314 20 0 CBADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001034793402 799855567 /nfs/dbraw/zinc/85/55/67/799855567.db2.gz ZMCCAIGTRRWRFN-RNJOBUHISA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)C1 ZINC001034792914 799856285 /nfs/dbraw/zinc/85/62/85/799856285.db2.gz OSCNWGXKBCIEPN-AVGNSLFASA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035579495 799948876 /nfs/dbraw/zinc/94/88/76/799948876.db2.gz JWKVNAKRIZHSLZ-QWHCGFSZSA-N 2 1 297.399 -0.720 20 0 CBADMP C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035579495 799948882 /nfs/dbraw/zinc/94/88/82/799948882.db2.gz JWKVNAKRIZHSLZ-QWHCGFSZSA-N 2 1 297.399 -0.720 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCO2)C1 ZINC001035613374 799952887 /nfs/dbraw/zinc/95/28/87/799952887.db2.gz IZGCISCFGLBLBW-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCO2)C1 ZINC001035613374 799952895 /nfs/dbraw/zinc/95/28/95/799952895.db2.gz IZGCISCFGLBLBW-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)C1 ZINC001035613374 799952903 /nfs/dbraw/zinc/95/29/03/799952903.db2.gz IZGCISCFGLBLBW-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)C1 ZINC001035613374 799952910 /nfs/dbraw/zinc/95/29/10/799952910.db2.gz IZGCISCFGLBLBW-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036895788 800012648 /nfs/dbraw/zinc/01/26/48/800012648.db2.gz DPNXCBNHQWQXTM-OLZOCXBDSA-N 2 1 294.399 -0.510 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036895651 800013370 /nfs/dbraw/zinc/01/33/70/800013370.db2.gz BQTITVNNEZFWHK-KBPBESRZSA-N 2 1 281.400 -0.003 20 0 CBADMP CC(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001038144184 800062490 /nfs/dbraw/zinc/06/24/90/800062490.db2.gz WUVRPLWAGAJOQW-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038144184 800062497 /nfs/dbraw/zinc/06/24/97/800062497.db2.gz WUVRPLWAGAJOQW-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038144184 800062505 /nfs/dbraw/zinc/06/25/05/800062505.db2.gz WUVRPLWAGAJOQW-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038144184 800062527 /nfs/dbraw/zinc/06/25/27/800062527.db2.gz WUVRPLWAGAJOQW-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001038144190 800062776 /nfs/dbraw/zinc/06/27/76/800062776.db2.gz WUVRPLWAGAJOQW-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038144190 800062784 /nfs/dbraw/zinc/06/27/84/800062784.db2.gz WUVRPLWAGAJOQW-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038144190 800062792 /nfs/dbraw/zinc/06/27/92/800062792.db2.gz WUVRPLWAGAJOQW-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038144190 800062809 /nfs/dbraw/zinc/06/28/09/800062809.db2.gz WUVRPLWAGAJOQW-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001038144188 800063751 /nfs/dbraw/zinc/06/37/51/800063751.db2.gz WUVRPLWAGAJOQW-NWDGAFQWSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038144188 800063757 /nfs/dbraw/zinc/06/37/57/800063757.db2.gz WUVRPLWAGAJOQW-NWDGAFQWSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038144188 800063764 /nfs/dbraw/zinc/06/37/64/800063764.db2.gz WUVRPLWAGAJOQW-NWDGAFQWSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038144188 800063775 /nfs/dbraw/zinc/06/37/75/800063775.db2.gz WUVRPLWAGAJOQW-NWDGAFQWSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2CCO)CC[N@@H+]1C ZINC001038267927 800090908 /nfs/dbraw/zinc/09/09/08/800090908.db2.gz FNOBOOMWWUUGLX-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2CCO)CC[N@H+]1C ZINC001038267927 800090916 /nfs/dbraw/zinc/09/09/16/800090916.db2.gz FNOBOOMWWUUGLX-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCO)CC[NH+]1C ZINC001038267927 800090925 /nfs/dbraw/zinc/09/09/25/800090925.db2.gz FNOBOOMWWUUGLX-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+]2CCO)CC[NH+]1C ZINC001038267927 800090931 /nfs/dbraw/zinc/09/09/31/800090931.db2.gz FNOBOOMWWUUGLX-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2CCCO)CC[N@H+]1C ZINC001038267522 800091909 /nfs/dbraw/zinc/09/19/09/800091909.db2.gz BOEDIWKONDZKHU-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCCO)CC[NH+]1C ZINC001038267522 800091915 /nfs/dbraw/zinc/09/19/15/800091915.db2.gz BOEDIWKONDZKHU-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+]2CCCO)CC[NH+]1C ZINC001038267522 800091920 /nfs/dbraw/zinc/09/19/20/800091920.db2.gz BOEDIWKONDZKHU-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+]1CCO)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038539218 800125429 /nfs/dbraw/zinc/12/54/29/800125429.db2.gz ZWSDPUJOPHQTFB-SBEAFCBVSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(NC[C@@H]1CC[N@@H+]1CCO)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038539218 800125433 /nfs/dbraw/zinc/12/54/33/800125433.db2.gz ZWSDPUJOPHQTFB-SBEAFCBVSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(NC[C@@H]1CC[NH+]1CCO)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038539218 800125440 /nfs/dbraw/zinc/12/54/40/800125440.db2.gz ZWSDPUJOPHQTFB-SBEAFCBVSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(NC[C@@H]1CC[NH+]1CCO)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038539218 800125445 /nfs/dbraw/zinc/12/54/45/800125445.db2.gz ZWSDPUJOPHQTFB-SBEAFCBVSA-N 2 1 295.383 -0.968 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCO)C1 ZINC001039028795 801281821 /nfs/dbraw/zinc/28/18/21/801281821.db2.gz QWVKBLXLJKWCNL-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCCO)C1 ZINC001039028795 801281825 /nfs/dbraw/zinc/28/18/25/801281825.db2.gz QWVKBLXLJKWCNL-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001039028795 801281816 /nfs/dbraw/zinc/28/18/16/801281816.db2.gz QWVKBLXLJKWCNL-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP COCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028285 801282094 /nfs/dbraw/zinc/28/20/94/801282094.db2.gz NBESGDUBVCDAID-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP COCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039028285 801282097 /nfs/dbraw/zinc/28/20/97/801282097.db2.gz NBESGDUBVCDAID-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP COCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039028285 801282098 /nfs/dbraw/zinc/28/20/98/801282098.db2.gz NBESGDUBVCDAID-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001041141927 801368672 /nfs/dbraw/zinc/36/86/72/801368672.db2.gz RRVODYSFGVLBFJ-SWLSCSKDSA-N 2 1 294.399 -0.510 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001041141927 801368678 /nfs/dbraw/zinc/36/86/78/801368678.db2.gz RRVODYSFGVLBFJ-SWLSCSKDSA-N 2 1 294.399 -0.510 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001041141927 801368684 /nfs/dbraw/zinc/36/86/84/801368684.db2.gz RRVODYSFGVLBFJ-SWLSCSKDSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCO)C2)C1 ZINC001041142117 801369074 /nfs/dbraw/zinc/36/90/74/801369074.db2.gz UCYQJTSHUDPRFW-ZFWWWQNUSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041142117 801369077 /nfs/dbraw/zinc/36/90/77/801369077.db2.gz UCYQJTSHUDPRFW-ZFWWWQNUSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041142117 801369084 /nfs/dbraw/zinc/36/90/84/801369084.db2.gz UCYQJTSHUDPRFW-ZFWWWQNUSA-N 2 1 281.400 -0.003 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001041141925 801369191 /nfs/dbraw/zinc/36/91/91/801369191.db2.gz RRVODYSFGVLBFJ-DOMZBBRYSA-N 2 1 294.399 -0.510 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001041141925 801369197 /nfs/dbraw/zinc/36/91/97/801369197.db2.gz RRVODYSFGVLBFJ-DOMZBBRYSA-N 2 1 294.399 -0.510 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001041141925 801369207 /nfs/dbraw/zinc/36/92/07/801369207.db2.gz RRVODYSFGVLBFJ-DOMZBBRYSA-N 2 1 294.399 -0.510 20 0 CBADMP O=C(N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001042314804 801458446 /nfs/dbraw/zinc/45/84/46/801458446.db2.gz WUCOCKPWTAMDPL-UONOGXRCSA-N 2 1 293.411 -0.003 20 0 CBADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1C[NH+](CCCO)C1 ZINC001042726937 801512900 /nfs/dbraw/zinc/51/29/00/801512900.db2.gz FPSFKYSYMMNMOD-AWEZNQCLSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001043881585 801600191 /nfs/dbraw/zinc/60/01/91/801600191.db2.gz MLVXXPBIJCMASO-DGCLKSJQSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001043881585 801600194 /nfs/dbraw/zinc/60/01/94/801600194.db2.gz MLVXXPBIJCMASO-DGCLKSJQSA-N 2 1 269.389 -0.291 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001045639956 801708138 /nfs/dbraw/zinc/70/81/38/801708138.db2.gz WEZBFDJZKVOXKZ-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001045639956 801708142 /nfs/dbraw/zinc/70/81/42/801708142.db2.gz WEZBFDJZKVOXKZ-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@]1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+](CCO)C1 ZINC001046317040 801752370 /nfs/dbraw/zinc/75/23/70/801752370.db2.gz DSMPDBBVEWFALZ-HIFRSBDPSA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](CCCO)C2)O1 ZINC001046414155 801759242 /nfs/dbraw/zinc/75/92/42/801759242.db2.gz GBFUUEJFLFTWCZ-UMVBOHGHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](CCCO)C2)O1 ZINC001046414155 801759249 /nfs/dbraw/zinc/75/92/49/801759249.db2.gz GBFUUEJFLFTWCZ-UMVBOHGHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@H+](CCCO)C2)O1 ZINC001046414155 801759255 /nfs/dbraw/zinc/75/92/55/801759255.db2.gz GBFUUEJFLFTWCZ-UMVBOHGHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCCO)C2)O1 ZINC001046414155 801759258 /nfs/dbraw/zinc/75/92/58/801759258.db2.gz GBFUUEJFLFTWCZ-UMVBOHGHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046776291 801793465 /nfs/dbraw/zinc/79/34/65/801793465.db2.gz CUFJTINQEVSMQT-FZMZJTMJSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046776291 801793467 /nfs/dbraw/zinc/79/34/67/801793467.db2.gz CUFJTINQEVSMQT-FZMZJTMJSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046776293 801793705 /nfs/dbraw/zinc/79/37/05/801793705.db2.gz CUFJTINQEVSMQT-SMDDNHRTSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046776293 801793709 /nfs/dbraw/zinc/79/37/09/801793709.db2.gz CUFJTINQEVSMQT-SMDDNHRTSA-N 2 1 294.399 -0.463 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046772901 801793853 /nfs/dbraw/zinc/79/38/53/801793853.db2.gz CAXAMNJGVPVZEQ-AWEZNQCLSA-N 2 1 294.399 -0.591 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046772901 801793856 /nfs/dbraw/zinc/79/38/56/801793856.db2.gz CAXAMNJGVPVZEQ-AWEZNQCLSA-N 2 1 294.399 -0.591 20 0 CBADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047324697 801833910 /nfs/dbraw/zinc/83/39/10/801833910.db2.gz UVVWPWPPIXFXQS-RDBSUJKOSA-N 2 1 281.400 -0.006 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001047324697 801833917 /nfs/dbraw/zinc/83/39/17/801833917.db2.gz UVVWPWPPIXFXQS-RDBSUJKOSA-N 2 1 281.400 -0.006 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001047324697 801833925 /nfs/dbraw/zinc/83/39/25/801833925.db2.gz UVVWPWPPIXFXQS-RDBSUJKOSA-N 2 1 281.400 -0.006 20 0 CBADMP CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001047324109 801835101 /nfs/dbraw/zinc/83/51/01/801835101.db2.gz IPSDGXJGPPJDAW-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001047324109 801835109 /nfs/dbraw/zinc/83/51/09/801835109.db2.gz IPSDGXJGPPJDAW-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001047324109 801835119 /nfs/dbraw/zinc/83/51/19/801835119.db2.gz IPSDGXJGPPJDAW-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047384758 801859013 /nfs/dbraw/zinc/85/90/13/801859013.db2.gz HQWWRPFXLUTBKW-MQYQWHSLSA-N 2 1 299.415 -0.524 20 0 CBADMP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001047384758 801859018 /nfs/dbraw/zinc/85/90/18/801859018.db2.gz HQWWRPFXLUTBKW-MQYQWHSLSA-N 2 1 299.415 -0.524 20 0 CBADMP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047384758 801859027 /nfs/dbraw/zinc/85/90/27/801859027.db2.gz HQWWRPFXLUTBKW-MQYQWHSLSA-N 2 1 299.415 -0.524 20 0 CBADMP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598518 801909332 /nfs/dbraw/zinc/90/93/32/801909332.db2.gz MURWSXHKRWVUAR-STQMWFEESA-N 2 1 297.399 -0.768 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047629003 801914335 /nfs/dbraw/zinc/91/43/35/801914335.db2.gz ONEKJEUWVXKQRX-WOPDTQHZSA-N 2 1 255.362 -0.539 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001047629003 801914340 /nfs/dbraw/zinc/91/43/40/801914340.db2.gz ONEKJEUWVXKQRX-WOPDTQHZSA-N 2 1 255.362 -0.539 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047629003 801914344 /nfs/dbraw/zinc/91/43/44/801914344.db2.gz ONEKJEUWVXKQRX-WOPDTQHZSA-N 2 1 255.362 -0.539 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047629002 801914874 /nfs/dbraw/zinc/91/48/74/801914874.db2.gz ONEKJEUWVXKQRX-SRVKXCTJSA-N 2 1 255.362 -0.539 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001047629002 801914880 /nfs/dbraw/zinc/91/48/80/801914880.db2.gz ONEKJEUWVXKQRX-SRVKXCTJSA-N 2 1 255.362 -0.539 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047629002 801914884 /nfs/dbraw/zinc/91/48/84/801914884.db2.gz ONEKJEUWVXKQRX-SRVKXCTJSA-N 2 1 255.362 -0.539 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)C[C@@H]2C1 ZINC001048724395 801959153 /nfs/dbraw/zinc/95/91/53/801959153.db2.gz YZJHWJCNIWHNLX-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001048724395 801959154 /nfs/dbraw/zinc/95/91/54/801959154.db2.gz YZJHWJCNIWHNLX-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001048724395 801959160 /nfs/dbraw/zinc/95/91/60/801959160.db2.gz YZJHWJCNIWHNLX-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048738803 801961379 /nfs/dbraw/zinc/96/13/79/801961379.db2.gz DSHVBTQEADYXCZ-IGQOVBAYSA-N 2 1 297.399 -0.912 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048738803 801961382 /nfs/dbraw/zinc/96/13/82/801961382.db2.gz DSHVBTQEADYXCZ-IGQOVBAYSA-N 2 1 297.399 -0.912 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048738803 801961386 /nfs/dbraw/zinc/96/13/86/801961386.db2.gz DSHVBTQEADYXCZ-IGQOVBAYSA-N 2 1 297.399 -0.912 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048738803 801961388 /nfs/dbraw/zinc/96/13/88/801961388.db2.gz DSHVBTQEADYXCZ-IGQOVBAYSA-N 2 1 297.399 -0.912 20 0 CBADMP 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 801972917 /nfs/dbraw/zinc/97/29/17/801972917.db2.gz FCTCAODBLDNXGX-FVCCEPFGSA-N 2 1 294.399 -0.798 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)CC[NH+]1C ZINC001048828968 801972918 /nfs/dbraw/zinc/97/29/18/801972918.db2.gz FCTCAODBLDNXGX-FVCCEPFGSA-N 2 1 294.399 -0.798 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CC[NH+]1C ZINC001048828968 801972926 /nfs/dbraw/zinc/97/29/26/801972926.db2.gz FCTCAODBLDNXGX-FVCCEPFGSA-N 2 1 294.399 -0.798 20 0 CBADMP 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 801977849 /nfs/dbraw/zinc/97/78/49/801977849.db2.gz DCQWYVJSIULOKQ-WUHRBBMRSA-N 2 1 296.415 -0.409 20 0 CBADMP COCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049212367 802006446 /nfs/dbraw/zinc/00/64/46/802006446.db2.gz BKLLJMWGXUHMRO-MCIONIFRSA-N 2 1 281.400 -0.025 20 0 CBADMP COCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049212367 802006453 /nfs/dbraw/zinc/00/64/53/802006453.db2.gz BKLLJMWGXUHMRO-MCIONIFRSA-N 2 1 281.400 -0.025 20 0 CBADMP COCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049212367 802006460 /nfs/dbraw/zinc/00/64/60/802006460.db2.gz BKLLJMWGXUHMRO-MCIONIFRSA-N 2 1 281.400 -0.025 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001049222917 802007894 /nfs/dbraw/zinc/00/78/94/802007894.db2.gz ZJBSCXWKESYGIP-HZSPNIEDSA-N 2 1 297.399 -0.910 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001049222917 802007902 /nfs/dbraw/zinc/00/79/02/802007902.db2.gz ZJBSCXWKESYGIP-HZSPNIEDSA-N 2 1 297.399 -0.910 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)C1 ZINC001049222917 802007909 /nfs/dbraw/zinc/00/79/09/802007909.db2.gz ZJBSCXWKESYGIP-HZSPNIEDSA-N 2 1 297.399 -0.910 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1 ZINC001049222917 802007918 /nfs/dbraw/zinc/00/79/18/802007918.db2.gz ZJBSCXWKESYGIP-HZSPNIEDSA-N 2 1 297.399 -0.910 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050456295 802064086 /nfs/dbraw/zinc/06/40/86/802064086.db2.gz GHCIGHAJUZOFPQ-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001051514770 802150091 /nfs/dbraw/zinc/15/00/91/802150091.db2.gz MSSRHDYWIVXHIN-NEPJUHHUSA-N 2 1 271.361 -0.846 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001051514770 802150096 /nfs/dbraw/zinc/15/00/96/802150096.db2.gz MSSRHDYWIVXHIN-NEPJUHHUSA-N 2 1 271.361 -0.846 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)CC[N@H+]1C ZINC001052391740 802197688 /nfs/dbraw/zinc/19/76/88/802197688.db2.gz QVICENFTMJVRDG-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)CC[NH+]1C ZINC001052391740 802197691 /nfs/dbraw/zinc/19/76/91/802197691.db2.gz QVICENFTMJVRDG-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)CC[NH+]1C ZINC001052391740 802197696 /nfs/dbraw/zinc/19/76/96/802197696.db2.gz QVICENFTMJVRDG-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001052931963 802225820 /nfs/dbraw/zinc/22/58/20/802225820.db2.gz DZQGKPCTOKHMCC-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001052931963 802225825 /nfs/dbraw/zinc/22/58/25/802225825.db2.gz DZQGKPCTOKHMCC-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052931963 802225828 /nfs/dbraw/zinc/22/58/28/802225828.db2.gz DZQGKPCTOKHMCC-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1[NH2+]CC(N)=O ZINC001054736541 802367435 /nfs/dbraw/zinc/36/74/35/802367435.db2.gz KJMURTVEGBWHCL-JQWIXIFHSA-N 2 1 282.388 -0.608 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001054905209 802378746 /nfs/dbraw/zinc/37/87/46/802378746.db2.gz BPZMDGJFZRAFMB-GXSJLCMTSA-N 2 1 279.344 -0.887 20 0 CBADMP CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001055545474 802399779 /nfs/dbraw/zinc/39/97/79/802399779.db2.gz JNWWPMUNPNNHPH-CQSZACIVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055545474 802399789 /nfs/dbraw/zinc/39/97/89/802399789.db2.gz JNWWPMUNPNNHPH-CQSZACIVSA-N 2 1 296.415 -0.203 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210184 814934736 /nfs/dbraw/zinc/93/47/36/814934736.db2.gz ISISRBGZPCMJPG-ZDUSSCGKSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001122368087 813154547 /nfs/dbraw/zinc/15/45/47/813154547.db2.gz MGUHCRIFZITPMG-TUAOUCFPSA-N 2 1 257.378 -0.197 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133842535 814306062 /nfs/dbraw/zinc/30/60/62/814306062.db2.gz UTZBPRPRHLWYLP-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)CCCC[NH+](C)C)nn1 ZINC001148360416 814939734 /nfs/dbraw/zinc/93/97/34/814939734.db2.gz UBUHGMYSNWHXLO-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001148570464 814950988 /nfs/dbraw/zinc/95/09/88/814950988.db2.gz FBOPFFLPEGYKIJ-UHFFFAOYSA-N 2 1 286.420 -0.051 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001148550957 814949972 /nfs/dbraw/zinc/94/99/72/814949972.db2.gz AXXCIEUOHFRBBF-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001148550957 814949980 /nfs/dbraw/zinc/94/99/80/814949980.db2.gz AXXCIEUOHFRBBF-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148550957 814949985 /nfs/dbraw/zinc/94/99/85/814949985.db2.gz AXXCIEUOHFRBBF-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001148577850 814950854 /nfs/dbraw/zinc/95/08/54/814950854.db2.gz GMLRBNXEWLONHC-UHFFFAOYSA-N 2 1 299.419 -0.551 20 0 CBADMP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nncn1C ZINC001148570602 814951527 /nfs/dbraw/zinc/95/15/27/814951527.db2.gz ICCHCJDWZVIGGK-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nncn1C ZINC001148570602 814951530 /nfs/dbraw/zinc/95/15/30/814951530.db2.gz ICCHCJDWZVIGGK-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)CC ZINC001148638985 814953870 /nfs/dbraw/zinc/95/38/70/814953870.db2.gz WMAJJSZSLVSACB-LBPRGKRZSA-N 2 1 286.420 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O ZINC001148642062 814953915 /nfs/dbraw/zinc/95/39/15/814953915.db2.gz DEQOKPRCTLXWFT-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001148638690 814954278 /nfs/dbraw/zinc/95/42/78/814954278.db2.gz NLZRKUPHGBTMII-UHFFFAOYSA-N 2 1 267.377 -0.032 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001148638690 814954282 /nfs/dbraw/zinc/95/42/82/814954282.db2.gz NLZRKUPHGBTMII-UHFFFAOYSA-N 2 1 267.377 -0.032 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001148656316 814956519 /nfs/dbraw/zinc/95/65/19/814956519.db2.gz ZAHCHTGEJFGGMP-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP CCC(=O)N1CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC001322634538 803920999 /nfs/dbraw/zinc/92/09/99/803920999.db2.gz UYQPFUSZRIIGBC-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCO)C1CC1 ZINC001323048740 803970710 /nfs/dbraw/zinc/97/07/10/803970710.db2.gz UTYZDRNDXFFOLJ-STQMWFEESA-N 2 1 269.389 -0.053 20 0 CBADMP Cc1nc[nH]c1CC(=O)NC[C@H]1CC[N@@H+]1C[C@@H](C)O ZINC001323340059 804011945 /nfs/dbraw/zinc/01/19/45/804011945.db2.gz LAKCYKSMDHMLQB-MWLCHTKSSA-N 2 1 266.345 -0.168 20 0 CBADMP Cc1nc[nH]c1CC(=O)NC[C@H]1CCN1C[C@@H](C)O ZINC001323340059 804011951 /nfs/dbraw/zinc/01/19/51/804011951.db2.gz LAKCYKSMDHMLQB-MWLCHTKSSA-N 2 1 266.345 -0.168 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001324249758 804125727 /nfs/dbraw/zinc/12/57/27/804125727.db2.gz BUAAETOMIWZLQS-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](CCOCCO)C1 ZINC001324649334 804184777 /nfs/dbraw/zinc/18/47/77/804184777.db2.gz YFDJHUPXMHCOLY-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001325380776 804281595 /nfs/dbraw/zinc/28/15/95/804281595.db2.gz PDYVPASBGOGZIM-CHWSQXEVSA-N 2 1 294.399 -0.449 20 0 CBADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1)C1CC1 ZINC001149842597 815011555 /nfs/dbraw/zinc/01/15/55/815011555.db2.gz VUFQXHWGMDAFGU-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)CCC1 ZINC001149841919 815012068 /nfs/dbraw/zinc/01/20/68/815012068.db2.gz MNBPHWUCGPJVNI-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1)C1CC1 ZINC001149842596 815012080 /nfs/dbraw/zinc/01/20/80/815012080.db2.gz VUFQXHWGMDAFGU-UONOGXRCSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCO)CCCO1 ZINC001150796624 815044485 /nfs/dbraw/zinc/04/44/85/815044485.db2.gz WPDFYJJZDFWJNV-CYBMUJFWSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001150796624 815044492 /nfs/dbraw/zinc/04/44/92/815044492.db2.gz WPDFYJJZDFWJNV-CYBMUJFWSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150796624 815044499 /nfs/dbraw/zinc/04/44/99/815044499.db2.gz WPDFYJJZDFWJNV-CYBMUJFWSA-N 2 1 287.404 -0.474 20 0 CBADMP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1C ZINC001151048722 815052198 /nfs/dbraw/zinc/05/21/98/815052198.db2.gz DRLCZZORNJUBIE-LLVKDONJSA-N 2 1 294.403 -0.465 20 0 CBADMP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1C ZINC001151048722 815052204 /nfs/dbraw/zinc/05/22/04/815052204.db2.gz DRLCZZORNJUBIE-LLVKDONJSA-N 2 1 294.403 -0.465 20 0 CBADMP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048485 815052433 /nfs/dbraw/zinc/05/24/33/815052433.db2.gz BOVKNYZEHGLWDJ-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP Cn1nccc1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049247 815053522 /nfs/dbraw/zinc/05/35/22/815053522.db2.gz LGIPNBYRAVTIAA-NSHDSACASA-N 2 1 265.361 -0.422 20 0 CBADMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001151049576 815053720 /nfs/dbraw/zinc/05/37/20/815053720.db2.gz SJHSFFRMZDXBKH-NSHDSACASA-N 2 1 293.371 -0.357 20 0 CBADMP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151049591 815054404 /nfs/dbraw/zinc/05/44/04/815054404.db2.gz SVIPCKPVHSWZAV-ZDUSSCGKSA-N 2 1 294.403 -0.448 20 0 CBADMP CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049582 815054439 /nfs/dbraw/zinc/05/44/39/815054439.db2.gz SNTZYCSATUZZPW-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049774 815055315 /nfs/dbraw/zinc/05/53/15/815055315.db2.gz YQMSMAHAUAPTGC-LLVKDONJSA-N 2 1 295.391 -0.589 20 0 CBADMP CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049774 815055322 /nfs/dbraw/zinc/05/53/22/815055322.db2.gz YQMSMAHAUAPTGC-LLVKDONJSA-N 2 1 295.391 -0.589 20 0 CBADMP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001151064408 815055669 /nfs/dbraw/zinc/05/56/69/815055669.db2.gz BHUVSUHDSBEVDM-KOLCDFICSA-N 2 1 280.376 -0.168 20 0 CBADMP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001151064408 815055675 /nfs/dbraw/zinc/05/56/75/815055675.db2.gz BHUVSUHDSBEVDM-KOLCDFICSA-N 2 1 280.376 -0.168 20 0 CBADMP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049416 815055791 /nfs/dbraw/zinc/05/57/91/815055791.db2.gz NVODKBLVPKJGAL-LBPRGKRZSA-N 2 1 294.403 -0.236 20 0 CBADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073056 815056952 /nfs/dbraw/zinc/05/69/52/815056952.db2.gz FLOXZFMYCDHRLO-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP COc1cncc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151065616 815056627 /nfs/dbraw/zinc/05/66/27/815056627.db2.gz LRTSWOMCZPQVMN-LLVKDONJSA-N 2 1 293.371 -0.357 20 0 CBADMP Cc1nccnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065727 815057948 /nfs/dbraw/zinc/05/79/48/815057948.db2.gz NKAFEMIDOOLISP-GFCCVEGCSA-N 2 1 277.372 -0.057 20 0 CBADMP Cc1cc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)ncn1 ZINC001151066974 815058087 /nfs/dbraw/zinc/05/80/87/815058087.db2.gz ZLMFRVLUNMHCKA-LBPRGKRZSA-N 2 1 277.372 -0.057 20 0 CBADMP CCC(CC)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073781 815058331 /nfs/dbraw/zinc/05/83/31/815058331.db2.gz PUXXJWGSUZBNLZ-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151074373 815058757 /nfs/dbraw/zinc/05/87/57/815058757.db2.gz XDXCWWHIQGYGOL-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001151141229 815063254 /nfs/dbraw/zinc/06/32/54/815063254.db2.gz MATOVDPDWWTPJZ-UHFFFAOYSA-N 2 1 295.387 -0.188 20 0 CBADMP COc1cc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)on1 ZINC001151101183 815061547 /nfs/dbraw/zinc/06/15/47/815061547.db2.gz PLOIURFGCKMFDF-UHFFFAOYSA-N 2 1 282.344 -0.015 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)c1nncn1C ZINC001151101608 815061610 /nfs/dbraw/zinc/06/16/10/815061610.db2.gz VCPUXIFHBMUWCN-NSHDSACASA-N 2 1 280.376 -0.322 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)nn1 ZINC001151100389 815062574 /nfs/dbraw/zinc/06/25/74/815062574.db2.gz BEZCLEKTJAKAFJ-UHFFFAOYSA-N 2 1 280.376 -0.400 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001151121572 815064496 /nfs/dbraw/zinc/06/44/96/815064496.db2.gz IJJQOPJBWKHIML-SNVBAGLBSA-N 2 1 267.333 -0.839 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001072553843 805311725 /nfs/dbraw/zinc/31/17/25/805311725.db2.gz LHLNRKFJFGNZPS-CHWSQXEVSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001072553843 805311735 /nfs/dbraw/zinc/31/17/35/805311735.db2.gz LHLNRKFJFGNZPS-CHWSQXEVSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001072553843 805311740 /nfs/dbraw/zinc/31/17/40/805311740.db2.gz LHLNRKFJFGNZPS-CHWSQXEVSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578570 805313774 /nfs/dbraw/zinc/31/37/74/805313774.db2.gz MTOIUTNFTYBDHL-CHWSQXEVSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578570 805313783 /nfs/dbraw/zinc/31/37/83/805313783.db2.gz MTOIUTNFTYBDHL-CHWSQXEVSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072578570 805313795 /nfs/dbraw/zinc/31/37/95/805313795.db2.gz MTOIUTNFTYBDHL-CHWSQXEVSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072578570 805313804 /nfs/dbraw/zinc/31/38/04/805313804.db2.gz MTOIUTNFTYBDHL-CHWSQXEVSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072981416 805353509 /nfs/dbraw/zinc/35/35/09/805353509.db2.gz HJERFDILSRUUIC-NWDGAFQWSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072981416 805353518 /nfs/dbraw/zinc/35/35/18/805353518.db2.gz HJERFDILSRUUIC-NWDGAFQWSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001072981416 805353526 /nfs/dbraw/zinc/35/35/26/805353526.db2.gz HJERFDILSRUUIC-NWDGAFQWSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001072981416 805353535 /nfs/dbraw/zinc/35/35/35/805353535.db2.gz HJERFDILSRUUIC-NWDGAFQWSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072979607 805353673 /nfs/dbraw/zinc/35/36/73/805353673.db2.gz FMFIJVACLZBZAG-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072979607 805353684 /nfs/dbraw/zinc/35/36/84/805353684.db2.gz FMFIJVACLZBZAG-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072979607 805353691 /nfs/dbraw/zinc/35/36/91/805353691.db2.gz FMFIJVACLZBZAG-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001072982818 805354037 /nfs/dbraw/zinc/35/40/37/805354037.db2.gz BKPYVNKJVDDRCW-GFCCVEGCSA-N 2 1 294.399 -0.652 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001072982818 805354047 /nfs/dbraw/zinc/35/40/47/805354047.db2.gz BKPYVNKJVDDRCW-GFCCVEGCSA-N 2 1 294.399 -0.652 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1 ZINC001072982818 805354055 /nfs/dbraw/zinc/35/40/55/805354055.db2.gz BKPYVNKJVDDRCW-GFCCVEGCSA-N 2 1 294.399 -0.652 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1 ZINC001072982818 805354064 /nfs/dbraw/zinc/35/40/64/805354064.db2.gz BKPYVNKJVDDRCW-GFCCVEGCSA-N 2 1 294.399 -0.652 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073059903 805355445 /nfs/dbraw/zinc/35/54/45/805355445.db2.gz ZIGPEGAULWXMSR-UHFFFAOYSA-N 2 1 297.399 -0.765 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073059903 805355455 /nfs/dbraw/zinc/35/54/55/805355455.db2.gz ZIGPEGAULWXMSR-UHFFFAOYSA-N 2 1 297.399 -0.765 20 0 CBADMP CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073563700 805386399 /nfs/dbraw/zinc/38/63/99/805386399.db2.gz HSDBVLPFSPURFB-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073563700 805386411 /nfs/dbraw/zinc/38/64/11/805386411.db2.gz HSDBVLPFSPURFB-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073563700 805386416 /nfs/dbraw/zinc/38/64/16/805386416.db2.gz HSDBVLPFSPURFB-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073563700 805386425 /nfs/dbraw/zinc/38/64/25/805386425.db2.gz HSDBVLPFSPURFB-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)CC[N@H+]1C ZINC001073610804 805400049 /nfs/dbraw/zinc/40/00/49/805400049.db2.gz DOISDLHZHLZFEM-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CCO)CCCO2)CC[NH+]1C ZINC001073610804 805400053 /nfs/dbraw/zinc/40/00/53/805400053.db2.gz DOISDLHZHLZFEM-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)CC[NH+]1C ZINC001073610804 805400060 /nfs/dbraw/zinc/40/00/60/805400060.db2.gz DOISDLHZHLZFEM-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP COCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073890990 805422595 /nfs/dbraw/zinc/42/25/95/805422595.db2.gz KONUZPITDFCUSK-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073890990 805422596 /nfs/dbraw/zinc/42/25/96/805422596.db2.gz KONUZPITDFCUSK-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073890990 805422598 /nfs/dbraw/zinc/42/25/98/805422598.db2.gz KONUZPITDFCUSK-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001074648831 805463840 /nfs/dbraw/zinc/46/38/40/805463840.db2.gz JKYPTPQKMBUTFH-RWMBFGLXSA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C)C1 ZINC001074878364 805476276 /nfs/dbraw/zinc/47/62/76/805476276.db2.gz PNGIECXZWCYWJL-SRVKXCTJSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCO)[C@@H]2C)C1 ZINC001075119219 805483155 /nfs/dbraw/zinc/48/31/55/805483155.db2.gz RIXJTAZSJCNGLV-RWMBFGLXSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCO)[C@@H]2C)C1 ZINC001075119219 805483157 /nfs/dbraw/zinc/48/31/57/805483157.db2.gz RIXJTAZSJCNGLV-RWMBFGLXSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001076244554 805562132 /nfs/dbraw/zinc/56/21/32/805562132.db2.gz SRGGUDSKJJHORC-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001076244554 805562141 /nfs/dbraw/zinc/56/21/41/805562141.db2.gz SRGGUDSKJJHORC-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001076244554 805562148 /nfs/dbraw/zinc/56/21/48/805562148.db2.gz SRGGUDSKJJHORC-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076361885 805571576 /nfs/dbraw/zinc/57/15/76/805571576.db2.gz QIWWRWZHICLONO-UONOGXRCSA-N 2 1 297.399 -0.766 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076361885 805571584 /nfs/dbraw/zinc/57/15/84/805571584.db2.gz QIWWRWZHICLONO-UONOGXRCSA-N 2 1 297.399 -0.766 20 0 CBADMP CC[C@H](C[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)OC ZINC001151737439 815088018 /nfs/dbraw/zinc/08/80/18/815088018.db2.gz DBPPSULSRLZJQD-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@H](C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)OC ZINC001151737439 815088024 /nfs/dbraw/zinc/08/80/24/815088024.db2.gz DBPPSULSRLZJQD-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](C)OC)C1 ZINC001151740819 815090801 /nfs/dbraw/zinc/09/08/01/815090801.db2.gz YCOLACCXMQESFE-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](C)OC)C1 ZINC001151740819 815090809 /nfs/dbraw/zinc/09/08/09/815090809.db2.gz YCOLACCXMQESFE-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCOC2)C1 ZINC001151738431 815091105 /nfs/dbraw/zinc/09/11/05/815091105.db2.gz IDUMBTYYQIOBLE-OLZOCXBDSA-N 2 1 285.388 -0.551 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCOC2)C1 ZINC001151738431 815091111 /nfs/dbraw/zinc/09/11/11/815091111.db2.gz IDUMBTYYQIOBLE-OLZOCXBDSA-N 2 1 285.388 -0.551 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]CCOCCO ZINC001152148070 815107509 /nfs/dbraw/zinc/10/75/09/815107509.db2.gz OIOTZWJYPMXYKJ-BETUJISGSA-N 2 1 287.404 -0.426 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)CCC[NH+]2CCCC2)nn1 ZINC001152223159 815111287 /nfs/dbraw/zinc/11/12/87/815111287.db2.gz HICKZPRUZGIMMF-UHFFFAOYSA-N 2 1 294.403 -0.103 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152439191 815120862 /nfs/dbraw/zinc/12/08/62/815120862.db2.gz DDEHWDOUPFRMLK-UHFFFAOYSA-N 2 1 286.420 -0.099 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001152432544 815121129 /nfs/dbraw/zinc/12/11/29/815121129.db2.gz KKMFZCYQWUZDNN-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccnn1C ZINC001152439151 815121205 /nfs/dbraw/zinc/12/12/05/815121205.db2.gz AVVZVUFPXQHJLM-UHFFFAOYSA-N 2 1 267.377 -0.034 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)n1 ZINC001152439459 815121770 /nfs/dbraw/zinc/12/17/70/815121770.db2.gz NBNDLVLSIHOEEL-UHFFFAOYSA-N 2 1 282.392 -0.156 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001152439459 815121775 /nfs/dbraw/zinc/12/17/75/815121775.db2.gz NBNDLVLSIHOEEL-UHFFFAOYSA-N 2 1 282.392 -0.156 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001152451914 815122893 /nfs/dbraw/zinc/12/28/93/815122893.db2.gz MACPZQNZRGHKPJ-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001152452095 815123032 /nfs/dbraw/zinc/12/30/32/815123032.db2.gz SDTIMZWZVIUPSP-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001152452022 815123085 /nfs/dbraw/zinc/12/30/85/815123085.db2.gz QBGXTUOUZXGEPH-JTQLQIEISA-N 2 1 256.350 -0.948 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153445768 815160987 /nfs/dbraw/zinc/16/09/87/815160987.db2.gz KFXVHAUPRGEADE-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153445768 815160991 /nfs/dbraw/zinc/16/09/91/815160991.db2.gz KFXVHAUPRGEADE-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153445768 815160994 /nfs/dbraw/zinc/16/09/94/815160994.db2.gz KFXVHAUPRGEADE-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153445768 815160998 /nfs/dbraw/zinc/16/09/98/815160998.db2.gz KFXVHAUPRGEADE-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153823832 815178875 /nfs/dbraw/zinc/17/88/75/815178875.db2.gz AOLYVKJKVSTGIF-RISCZKNCSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153823832 815178882 /nfs/dbraw/zinc/17/88/82/815178882.db2.gz AOLYVKJKVSTGIF-RISCZKNCSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154034032 815195564 /nfs/dbraw/zinc/19/55/64/815195564.db2.gz TXVDUWATNJXFMT-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154034032 815195569 /nfs/dbraw/zinc/19/55/69/815195569.db2.gz TXVDUWATNJXFMT-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154034032 815195573 /nfs/dbraw/zinc/19/55/73/815195573.db2.gz TXVDUWATNJXFMT-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154034032 815195577 /nfs/dbraw/zinc/19/55/77/815195577.db2.gz TXVDUWATNJXFMT-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP [NH3+][C@H]1COC[C@H]1Nc1cc[nH+]c(N2CCOCC2)n1 ZINC001155353397 815277875 /nfs/dbraw/zinc/27/78/75/815277875.db2.gz OINRQAHXEOZZCL-VHSXEESVSA-N 2 1 265.317 -0.549 20 0 CBADMP c1nc2c(c(NC[C@]34C[NH2+]C[C@H]3COC4)n1)C[NH2+]C2 ZINC001155516845 815290447 /nfs/dbraw/zinc/29/04/47/815290447.db2.gz KPETYOFRLOPZAW-ZANVPECISA-N 2 1 261.329 -0.272 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001155789876 815311575 /nfs/dbraw/zinc/31/15/75/815311575.db2.gz GSOPWKOAPPPJOI-MNOVXSKESA-N 2 1 268.361 -0.935 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001155789875 815311707 /nfs/dbraw/zinc/31/17/07/815311707.db2.gz GSOPWKOAPPPJOI-GHMZBOCLSA-N 2 1 268.361 -0.935 20 0 CBADMP CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155791885 815312467 /nfs/dbraw/zinc/31/24/67/815312467.db2.gz ZRCCBRDYAWSXHG-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001155791030 815313132 /nfs/dbraw/zinc/31/31/32/815313132.db2.gz QZDHFDGTAJLRQU-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP CN1CCC[C@H]([NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001155791630 815313239 /nfs/dbraw/zinc/31/32/39/815313239.db2.gz YFRYIODFEVTMEO-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP COCCOCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155790954 815313358 /nfs/dbraw/zinc/31/33/58/815313358.db2.gz PQUPFHBUQOGUQI-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001155791568 815313799 /nfs/dbraw/zinc/31/37/99/815313799.db2.gz WYNGCFUSWCFEJJ-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001155810446 815314133 /nfs/dbraw/zinc/31/41/33/815314133.db2.gz AXNAQVYHYDBLGO-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001155810926 815314862 /nfs/dbraw/zinc/31/48/62/815314862.db2.gz CONPFXCBJASBOY-LBPRGKRZSA-N 2 1 297.403 -0.798 20 0 CBADMP c1cnc(N(c2ncnc3c2C[NH2+]C3)C2C[NH2+]C2)nc1 ZINC001155869437 815318810 /nfs/dbraw/zinc/31/88/10/815318810.db2.gz CDLVLTVGOLDUQD-UHFFFAOYSA-N 2 1 269.312 -0.020 20 0 CBADMP CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156124950 815338825 /nfs/dbraw/zinc/33/88/25/815338825.db2.gz CFSIVYKOIMOQMW-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156124950 815338831 /nfs/dbraw/zinc/33/88/31/815338831.db2.gz CFSIVYKOIMOQMW-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCOCC2CC2)C1 ZINC001156124972 815339161 /nfs/dbraw/zinc/33/91/61/815339161.db2.gz CURNBJJBQRKBFW-CQSZACIVSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCOCC2CC2)C1 ZINC001156124972 815339166 /nfs/dbraw/zinc/33/91/66/815339166.db2.gz CURNBJJBQRKBFW-CQSZACIVSA-N 2 1 299.415 -0.161 20 0 CBADMP Cc1ncc(C[NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001156152330 815340269 /nfs/dbraw/zinc/34/02/69/815340269.db2.gz MUTXYRFHMGSNCF-ZDUSSCGKSA-N 2 1 296.371 -0.090 20 0 CBADMP Cc1ncc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001156152330 815340276 /nfs/dbraw/zinc/34/02/76/815340276.db2.gz MUTXYRFHMGSNCF-ZDUSSCGKSA-N 2 1 296.371 -0.090 20 0 CBADMP Cc1nocc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156145944 815341587 /nfs/dbraw/zinc/34/15/87/815341587.db2.gz RBZBYVQSHGSZAI-CYBMUJFWSA-N 2 1 296.371 -0.090 20 0 CBADMP Cc1nocc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156145944 815341594 /nfs/dbraw/zinc/34/15/94/815341594.db2.gz RBZBYVQSHGSZAI-CYBMUJFWSA-N 2 1 296.371 -0.090 20 0 CBADMP CCN(CC(=O)NC)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194109 815344835 /nfs/dbraw/zinc/34/48/35/815344835.db2.gz LKEMRUJYOZCTEI-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194109 815344843 /nfs/dbraw/zinc/34/48/43/815344843.db2.gz LKEMRUJYOZCTEI-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156194109 815344850 /nfs/dbraw/zinc/34/48/50/815344850.db2.gz LKEMRUJYOZCTEI-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CC(=O)NC ZINC001156194109 815344857 /nfs/dbraw/zinc/34/48/57/815344857.db2.gz LKEMRUJYOZCTEI-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)NC ZINC001156194109 815344861 /nfs/dbraw/zinc/34/48/61/815344861.db2.gz LKEMRUJYOZCTEI-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP [NH3+][C@@H]1CCN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C1 ZINC001156227143 815346681 /nfs/dbraw/zinc/34/66/81/815346681.db2.gz PTESANUCOUQSRB-SNVBAGLBSA-N 2 1 290.371 -0.546 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086085286 810241451 /nfs/dbraw/zinc/24/14/51/810241451.db2.gz ZPZSEYZDXXCHPW-XQQFMLRXSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086120132 810242469 /nfs/dbraw/zinc/24/24/69/810242469.db2.gz MOSIYURZTGPSSM-XGFWRYKXSA-N 2 1 299.415 -0.429 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086120132 810242472 /nfs/dbraw/zinc/24/24/72/810242472.db2.gz MOSIYURZTGPSSM-XGFWRYKXSA-N 2 1 299.415 -0.429 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086122558 810243141 /nfs/dbraw/zinc/24/31/41/810243141.db2.gz PQTGOENBHYRSRP-TUAOUCFPSA-N 2 1 282.388 -0.560 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001086262436 810253557 /nfs/dbraw/zinc/25/35/57/810253557.db2.gz WZHYRAISWFGNNC-ZOWXZIJZSA-N 2 1 294.399 -0.558 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001086270416 810253788 /nfs/dbraw/zinc/25/37/88/810253788.db2.gz DKELJUMRICMOOM-RVMXOQNASA-N 2 1 296.415 -0.314 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086327435 810260436 /nfs/dbraw/zinc/26/04/36/810260436.db2.gz DUZZJJKOQIZKMI-ZDEQEGDKSA-N 2 1 269.389 -0.054 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001086327895 810261746 /nfs/dbraw/zinc/26/17/46/810261746.db2.gz TTYQTFBAADPRSV-LPWJVIDDSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086324789 810261780 /nfs/dbraw/zinc/26/17/80/810261780.db2.gz NLDVMKVOWUBUIO-SRVKXCTJSA-N 2 1 255.362 -0.443 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001086456706 810272533 /nfs/dbraw/zinc/27/25/33/810272533.db2.gz SIAVEGXDZGIIHR-IHRRRGAJSA-N 2 1 299.415 -0.428 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001086699948 810283521 /nfs/dbraw/zinc/28/35/21/810283521.db2.gz OSPKXESBJUFHJC-YVECIDJPSA-N 2 1 296.415 -0.314 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCO)C2)C1 ZINC001086875550 810288185 /nfs/dbraw/zinc/28/81/85/810288185.db2.gz XETVESPIOHTYPK-YNEHKIRRSA-N 2 1 269.389 -0.195 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCO ZINC001087530113 810295044 /nfs/dbraw/zinc/29/50/44/810295044.db2.gz JYQGEZNMRXEIHI-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCCO ZINC001087530113 810295051 /nfs/dbraw/zinc/29/50/51/810295051.db2.gz JYQGEZNMRXEIHI-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCCO ZINC001087530113 810295057 /nfs/dbraw/zinc/29/50/57/810295057.db2.gz JYQGEZNMRXEIHI-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCO ZINC001087530113 810295062 /nfs/dbraw/zinc/29/50/62/810295062.db2.gz JYQGEZNMRXEIHI-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1CCO ZINC001087836935 810307238 /nfs/dbraw/zinc/30/72/38/810307238.db2.gz NKWODKKDRCBYSQ-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1CCO ZINC001087836935 810307247 /nfs/dbraw/zinc/30/72/47/810307247.db2.gz NKWODKKDRCBYSQ-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1CCO ZINC001087836935 810307257 /nfs/dbraw/zinc/30/72/57/810307257.db2.gz NKWODKKDRCBYSQ-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1CCO ZINC001087836935 810307265 /nfs/dbraw/zinc/30/72/65/810307265.db2.gz NKWODKKDRCBYSQ-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCO)CC[C@@H]3C2)C1 ZINC001087920449 810313296 /nfs/dbraw/zinc/31/32/96/810313296.db2.gz POSZDPUDLUBBPM-RDBSUJKOSA-N 2 1 297.399 -0.910 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCO)CC[C@@H]3C2)C1 ZINC001087920449 810313302 /nfs/dbraw/zinc/31/33/02/810313302.db2.gz POSZDPUDLUBBPM-RDBSUJKOSA-N 2 1 297.399 -0.910 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCO)CC[C@@H]3C2)C1 ZINC001087920449 810313306 /nfs/dbraw/zinc/31/33/06/810313306.db2.gz POSZDPUDLUBBPM-RDBSUJKOSA-N 2 1 297.399 -0.910 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)C1 ZINC001087920449 810313314 /nfs/dbraw/zinc/31/33/14/810313314.db2.gz POSZDPUDLUBBPM-RDBSUJKOSA-N 2 1 297.399 -0.910 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001088425149 810329057 /nfs/dbraw/zinc/32/90/57/810329057.db2.gz OKUSMLMSCHASBC-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001088425152 810330792 /nfs/dbraw/zinc/33/07/92/810330792.db2.gz OKUSMLMSCHASBC-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCO ZINC001088506931 810336342 /nfs/dbraw/zinc/33/63/42/810336342.db2.gz SYZBXJDIKGHVLD-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCCO ZINC001088506931 810336348 /nfs/dbraw/zinc/33/63/48/810336348.db2.gz SYZBXJDIKGHVLD-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCCO ZINC001088506931 810336358 /nfs/dbraw/zinc/33/63/58/810336358.db2.gz SYZBXJDIKGHVLD-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCO ZINC001088506931 810336363 /nfs/dbraw/zinc/33/63/63/810336363.db2.gz SYZBXJDIKGHVLD-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)[C@@H]2C)CC[N@@H+]1C ZINC001088579604 810346463 /nfs/dbraw/zinc/34/64/63/810346463.db2.gz RNHGNXVEULVGGO-MROQNXINSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)[C@@H]2C)CC[N@H+]1C ZINC001088579604 810346467 /nfs/dbraw/zinc/34/64/67/810346467.db2.gz RNHGNXVEULVGGO-MROQNXINSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C)CC[NH+]1C ZINC001088579604 810346471 /nfs/dbraw/zinc/34/64/71/810346471.db2.gz RNHGNXVEULVGGO-MROQNXINSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C)CC[NH+]1C ZINC001088579604 810346477 /nfs/dbraw/zinc/34/64/77/810346477.db2.gz RNHGNXVEULVGGO-MROQNXINSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CCO ZINC001088859381 810362020 /nfs/dbraw/zinc/36/20/20/810362020.db2.gz APXHEDVMNOKKPU-XQQFMLRXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CCO ZINC001088859381 810362027 /nfs/dbraw/zinc/36/20/27/810362027.db2.gz APXHEDVMNOKKPU-XQQFMLRXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CCO ZINC001088859381 810362034 /nfs/dbraw/zinc/36/20/34/810362034.db2.gz APXHEDVMNOKKPU-XQQFMLRXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CCCO ZINC001089038801 810374807 /nfs/dbraw/zinc/37/48/07/810374807.db2.gz LUHABHYNGAXZQL-AGIUHOORSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CCCO ZINC001089038801 810374816 /nfs/dbraw/zinc/37/48/16/810374816.db2.gz LUHABHYNGAXZQL-AGIUHOORSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCCO ZINC001089038801 810374825 /nfs/dbraw/zinc/37/48/25/810374825.db2.gz LUHABHYNGAXZQL-AGIUHOORSA-N 2 1 269.389 -0.101 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001156624666 815370005 /nfs/dbraw/zinc/37/00/05/815370005.db2.gz RIDRKTBQQSDTBE-UHFFFAOYSA-N 2 1 286.343 -0.990 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090536533 810518020 /nfs/dbraw/zinc/51/80/20/810518020.db2.gz FVRPQQCQOFIKMR-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CCO)C[C@@H]2O)C1 ZINC001090572666 810527833 /nfs/dbraw/zinc/52/78/33/810527833.db2.gz HVHOQFBZOBJXIK-OLZOCXBDSA-N 2 1 299.415 -0.738 20 0 CBADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)C1 ZINC001090572666 810527841 /nfs/dbraw/zinc/52/78/41/810527841.db2.gz HVHOQFBZOBJXIK-OLZOCXBDSA-N 2 1 299.415 -0.738 20 0 CBADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)C1 ZINC001090572666 810527847 /nfs/dbraw/zinc/52/78/47/810527847.db2.gz HVHOQFBZOBJXIK-OLZOCXBDSA-N 2 1 299.415 -0.738 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](CCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090731765 810559571 /nfs/dbraw/zinc/55/95/71/810559571.db2.gz WBTSLNAMDGFONH-NWDGAFQWSA-N 2 1 285.363 -0.397 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090731765 810559578 /nfs/dbraw/zinc/55/95/78/810559578.db2.gz WBTSLNAMDGFONH-NWDGAFQWSA-N 2 1 285.363 -0.397 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090731764 810560531 /nfs/dbraw/zinc/56/05/31/810560531.db2.gz WBTSLNAMDGFONH-NEPJUHHUSA-N 2 1 285.363 -0.397 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090731764 810560537 /nfs/dbraw/zinc/56/05/37/810560537.db2.gz WBTSLNAMDGFONH-NEPJUHHUSA-N 2 1 285.363 -0.397 20 0 CBADMP CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090807742 810566975 /nfs/dbraw/zinc/56/69/75/810566975.db2.gz BWYICTRUACYKDY-NWDGAFQWSA-N 2 1 266.345 -0.237 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090807742 810566977 /nfs/dbraw/zinc/56/69/77/810566977.db2.gz BWYICTRUACYKDY-NWDGAFQWSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090808872 810569915 /nfs/dbraw/zinc/56/99/15/810569915.db2.gz PINIMAFVSHGQAL-CHWSQXEVSA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090808872 810569918 /nfs/dbraw/zinc/56/99/18/810569918.db2.gz PINIMAFVSHGQAL-CHWSQXEVSA-N 2 1 296.371 -0.875 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCO)C1 ZINC001090956901 810582518 /nfs/dbraw/zinc/58/25/18/810582518.db2.gz NLDVMKVOWUBUIO-MCIGGMRASA-N 2 1 255.362 -0.443 20 0 CBADMP NC(=O)C[NH2+]C1CC(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001091345578 810602712 /nfs/dbraw/zinc/60/27/12/810602712.db2.gz WZHYRAISWFGNNC-QOZQQMKHSA-N 2 1 294.399 -0.558 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1 ZINC001091543440 810609799 /nfs/dbraw/zinc/60/97/99/810609799.db2.gz IZHNZUAWUIFQOI-JMSVASOKSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091543440 810609802 /nfs/dbraw/zinc/60/98/02/810609802.db2.gz IZHNZUAWUIFQOI-JMSVASOKSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091543440 810609805 /nfs/dbraw/zinc/60/98/05/810609805.db2.gz IZHNZUAWUIFQOI-JMSVASOKSA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092524136 810631748 /nfs/dbraw/zinc/63/17/48/810631748.db2.gz RSKRHLCOASINOI-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092524136 810631761 /nfs/dbraw/zinc/63/17/61/810631761.db2.gz RSKRHLCOASINOI-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1C[NH+](CCCO)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092524136 810631764 /nfs/dbraw/zinc/63/17/64/810631764.db2.gz RSKRHLCOASINOI-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1C[NH+](CCCO)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092524136 810631767 /nfs/dbraw/zinc/63/17/67/810631767.db2.gz RSKRHLCOASINOI-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP C[NH+]1CCN(c2ccc(-n3ccc(CC[NH3+])n3)nn2)CC1 ZINC001156898279 815387923 /nfs/dbraw/zinc/38/79/23/815387923.db2.gz IRSDUTALLWEVNV-UHFFFAOYSA-N 2 1 287.371 -0.085 20 0 CBADMP CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094814634 810732886 /nfs/dbraw/zinc/73/28/86/810732886.db2.gz HGQWHJTWRKYZQG-RYUDHWBXSA-N 2 1 294.399 -0.641 20 0 CBADMP CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094814634 810732889 /nfs/dbraw/zinc/73/28/89/810732889.db2.gz HGQWHJTWRKYZQG-RYUDHWBXSA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCO ZINC001095234231 810745250 /nfs/dbraw/zinc/74/52/50/810745250.db2.gz MJPZJBHMWMMHCF-MROQNXINSA-N 2 1 267.373 -0.206 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCO ZINC001095234231 810745258 /nfs/dbraw/zinc/74/52/58/810745258.db2.gz MJPZJBHMWMMHCF-MROQNXINSA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001095234231 810745266 /nfs/dbraw/zinc/74/52/66/810745266.db2.gz MJPZJBHMWMMHCF-MROQNXINSA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001095234231 810745271 /nfs/dbraw/zinc/74/52/71/810745271.db2.gz MJPZJBHMWMMHCF-MROQNXINSA-N 2 1 267.373 -0.206 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(N)=O)C3)C1 ZINC001099160043 810867363 /nfs/dbraw/zinc/86/73/63/810867363.db2.gz NEVAEVAIGHVPHM-XUJVJEKNSA-N 2 1 294.399 -0.606 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(N)=O)C3)C1 ZINC001099160043 810867367 /nfs/dbraw/zinc/86/73/67/810867367.db2.gz NEVAEVAIGHVPHM-XUJVJEKNSA-N 2 1 294.399 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)C1 ZINC001099160043 810867376 /nfs/dbraw/zinc/86/73/76/810867376.db2.gz NEVAEVAIGHVPHM-XUJVJEKNSA-N 2 1 294.399 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)C1 ZINC001099160043 810867386 /nfs/dbraw/zinc/86/73/86/810867386.db2.gz NEVAEVAIGHVPHM-XUJVJEKNSA-N 2 1 294.399 -0.606 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109254 815405490 /nfs/dbraw/zinc/40/54/90/815405490.db2.gz KOXOWSFTMSLHQZ-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109254 815405492 /nfs/dbraw/zinc/40/54/92/815405492.db2.gz KOXOWSFTMSLHQZ-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157109254 815405496 /nfs/dbraw/zinc/40/54/96/815405496.db2.gz KOXOWSFTMSLHQZ-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157109254 815405500 /nfs/dbraw/zinc/40/55/00/815405500.db2.gz KOXOWSFTMSLHQZ-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971095 810980093 /nfs/dbraw/zinc/98/00/93/810980093.db2.gz AMCFVGODDGYRRH-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099988339 810986041 /nfs/dbraw/zinc/98/60/41/810986041.db2.gz HDUUTXDMSLKOIE-RYUDHWBXSA-N 2 1 257.378 -0.102 20 0 CBADMP CCOCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099988248 810986687 /nfs/dbraw/zinc/98/66/87/810986687.db2.gz FTHDRPVOIAXHII-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036548 810997785 /nfs/dbraw/zinc/99/77/85/810997785.db2.gz IPRSGBXNCMJNHZ-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036548 810997790 /nfs/dbraw/zinc/99/77/90/810997790.db2.gz IPRSGBXNCMJNHZ-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001100041898 811003898 /nfs/dbraw/zinc/00/38/98/811003898.db2.gz PTJJYXPVOFFIGW-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCO)C[C@H]1O ZINC001100131255 811024251 /nfs/dbraw/zinc/02/42/51/811024251.db2.gz AIFFOUGBJLFVPU-CHWSQXEVSA-N 2 1 287.404 -0.740 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100131255 811024259 /nfs/dbraw/zinc/02/42/59/811024259.db2.gz AIFFOUGBJLFVPU-CHWSQXEVSA-N 2 1 287.404 -0.740 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100131255 811024266 /nfs/dbraw/zinc/02/42/66/811024266.db2.gz AIFFOUGBJLFVPU-CHWSQXEVSA-N 2 1 287.404 -0.740 20 0 CBADMP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100127784 811025203 /nfs/dbraw/zinc/02/52/03/811025203.db2.gz YUOWAWGBWGEECZ-UONOGXRCSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001100185547 811034513 /nfs/dbraw/zinc/03/45/13/811034513.db2.gz FEVLEVUIXJCMDB-RUXDESIVSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCCO)C1 ZINC001100187960 811035996 /nfs/dbraw/zinc/03/59/96/811035996.db2.gz UFDPLIIPFKEPJK-WXRRBKDZSA-N 2 1 269.389 -0.053 20 0 CBADMP COCCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001100212045 811038679 /nfs/dbraw/zinc/03/86/79/811038679.db2.gz LCZUHAWWDBYQHY-RUXDESIVSA-N 2 1 299.415 -0.162 20 0 CBADMP COCCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001100212045 811038683 /nfs/dbraw/zinc/03/86/83/811038683.db2.gz LCZUHAWWDBYQHY-RUXDESIVSA-N 2 1 299.415 -0.162 20 0 CBADMP CCNC(=O)C[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100829764 811081687 /nfs/dbraw/zinc/08/16/87/811081687.db2.gz KJZAHKJSPDCFGK-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001100901616 811085244 /nfs/dbraw/zinc/08/52/44/811085244.db2.gz FFZPKADGAQJQEQ-WXRRBKDZSA-N 2 1 296.415 -0.299 20 0 CBADMP CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101039228 811091313 /nfs/dbraw/zinc/09/13/13/811091313.db2.gz BSLCFOAPIINQFP-UHFFFAOYSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001317450797 816983001 /nfs/dbraw/zinc/98/30/01/816983001.db2.gz IMDXKGUETYEZTB-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317450797 816983007 /nfs/dbraw/zinc/98/30/07/816983007.db2.gz IMDXKGUETYEZTB-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001317450797 816983012 /nfs/dbraw/zinc/98/30/12/816983012.db2.gz IMDXKGUETYEZTB-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318900 811153221 /nfs/dbraw/zinc/15/32/21/811153221.db2.gz PBWARVXIJOQZBI-CHWSQXEVSA-N 2 1 298.431 -0.242 20 0 CBADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C ZINC001102473578 811155776 /nfs/dbraw/zinc/15/57/76/811155776.db2.gz GUEBRUKHICVHOP-CHWSQXEVSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579311 811161836 /nfs/dbraw/zinc/16/18/36/811161836.db2.gz RRGSERGFPWMUPA-CHWSQXEVSA-N 2 1 269.389 -0.241 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579173 811161940 /nfs/dbraw/zinc/16/19/40/811161940.db2.gz LJGFNGXBGLQPPU-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1coc2c1C[NH2+]C2 ZINC001157354686 815427192 /nfs/dbraw/zinc/42/71/92/815427192.db2.gz JXHSCZKEDKCUHS-NSHDSACASA-N 2 1 294.355 -0.144 20 0 CBADMP C[NH+]1CCN(C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001157451033 815435062 /nfs/dbraw/zinc/43/50/62/815435062.db2.gz JJEXLXCXNXQGAY-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(N)=O ZINC001105946025 811281844 /nfs/dbraw/zinc/28/18/44/811281844.db2.gz JGDDYSSZZYREJW-IJLUTSLNSA-N 2 1 282.388 -0.750 20 0 CBADMP COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105973992 811283549 /nfs/dbraw/zinc/28/35/49/811283549.db2.gz JCCBIKWOZOYPLQ-MCIONIFRSA-N 2 1 299.415 -0.353 20 0 CBADMP COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105973992 811283554 /nfs/dbraw/zinc/28/35/54/811283554.db2.gz JCCBIKWOZOYPLQ-MCIONIFRSA-N 2 1 299.415 -0.353 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106874278 811318412 /nfs/dbraw/zinc/31/84/12/811318412.db2.gz AQVZPULSAMURAI-FRRDWIJNSA-N 2 1 296.415 -0.502 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC(N2CC(F)C2)C1 ZINC001157525835 815441336 /nfs/dbraw/zinc/44/13/36/815441336.db2.gz FANWDCIMEMEJIR-UHFFFAOYSA-N 2 1 270.352 -0.808 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)CC1 ZINC001108182201 811420748 /nfs/dbraw/zinc/42/07/48/811420748.db2.gz BNRNUFCMKJWKMM-OAHLLOKOSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)CC1 ZINC001108182201 811420753 /nfs/dbraw/zinc/42/07/53/811420753.db2.gz BNRNUFCMKJWKMM-OAHLLOKOSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182502 811420789 /nfs/dbraw/zinc/42/07/89/811420789.db2.gz JYEATGYKMISQCH-JSGCOSHPSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182502 811420793 /nfs/dbraw/zinc/42/07/93/811420793.db2.gz JYEATGYKMISQCH-JSGCOSHPSA-N 2 1 287.404 -0.474 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@]1(C)C[N@H+](CCCO)CCO1 ZINC001108182761 811422068 /nfs/dbraw/zinc/42/20/68/811422068.db2.gz OZPBXMOBBBFQMI-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@]1(C)C[N@@H+](CCCO)CCO1 ZINC001108182761 811422069 /nfs/dbraw/zinc/42/20/69/811422069.db2.gz OZPBXMOBBBFQMI-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@@]1(CNC(=O)C23CC[NH+](CC2)C3)C[N@H+](CCO)CCO1 ZINC001108343892 811438966 /nfs/dbraw/zinc/43/89/66/811438966.db2.gz CPEKBVMISDADDD-CQSZACIVSA-N 2 1 297.399 -0.718 20 0 CBADMP C[C@@]1(CNC(=O)C23CC[NH+](CC2)C3)C[N@@H+](CCO)CCO1 ZINC001108343892 811438972 /nfs/dbraw/zinc/43/89/72/811438972.db2.gz CPEKBVMISDADDD-CQSZACIVSA-N 2 1 297.399 -0.718 20 0 CBADMP CC[NH+]1CC(N2C[C@@H](NC(=O)CCC[NH+](C)C)CC2=O)C1 ZINC001108566119 811459406 /nfs/dbraw/zinc/45/94/06/811459406.db2.gz DVBXRILGYCDNEP-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)N2CC(C)([NH3+])C2)C1 ZINC001157643602 815450555 /nfs/dbraw/zinc/45/05/55/815450555.db2.gz CYFFBSBWBOSUNZ-SNVBAGLBSA-N 2 1 254.378 -0.382 20 0 CBADMP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653058 811498035 /nfs/dbraw/zinc/49/80/35/811498035.db2.gz LWTGTQBCQCAHAH-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653058 811498041 /nfs/dbraw/zinc/49/80/41/811498041.db2.gz LWTGTQBCQCAHAH-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653805 811498196 /nfs/dbraw/zinc/49/81/96/811498196.db2.gz HXNXEIBMFGOHAE-RNJOBUHISA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653805 811498199 /nfs/dbraw/zinc/49/81/99/811498199.db2.gz HXNXEIBMFGOHAE-RNJOBUHISA-N 2 1 296.415 -0.077 20 0 CBADMP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673094 811499393 /nfs/dbraw/zinc/49/93/93/811499393.db2.gz CGNRJLAWDPLUEJ-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673094 811499398 /nfs/dbraw/zinc/49/93/98/811499398.db2.gz CGNRJLAWDPLUEJ-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673687 811499497 /nfs/dbraw/zinc/49/94/97/811499497.db2.gz ONNRMSFXUCEJON-RFGFWPKPSA-N 2 1 299.415 -0.333 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(N)=O ZINC001109928013 811504007 /nfs/dbraw/zinc/50/40/07/811504007.db2.gz CLXOGSWDLFXJDX-RNJOBUHISA-N 2 1 296.415 -0.077 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(N)=O ZINC001109928013 811504011 /nfs/dbraw/zinc/50/40/11/811504011.db2.gz CLXOGSWDLFXJDX-RNJOBUHISA-N 2 1 296.415 -0.077 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(N)=O ZINC001109928013 811504018 /nfs/dbraw/zinc/50/40/18/811504018.db2.gz CLXOGSWDLFXJDX-RNJOBUHISA-N 2 1 296.415 -0.077 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(N)=O ZINC001109928013 811504025 /nfs/dbraw/zinc/50/40/25/811504025.db2.gz CLXOGSWDLFXJDX-RNJOBUHISA-N 2 1 296.415 -0.077 20 0 CBADMP COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979176 811507360 /nfs/dbraw/zinc/50/73/60/811507360.db2.gz VZBAMEXNUVIBSJ-RDBSUJKOSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979928 811535842 /nfs/dbraw/zinc/53/58/42/811535842.db2.gz JFVSEIAQQHZNDL-QCNOEVLYSA-N 2 1 282.388 -0.467 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979928 811535844 /nfs/dbraw/zinc/53/58/44/811535844.db2.gz JFVSEIAQQHZNDL-QCNOEVLYSA-N 2 1 282.388 -0.467 20 0 CBADMP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980958 811536029 /nfs/dbraw/zinc/53/60/29/811536029.db2.gz CGNRJLAWDPLUEJ-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980958 811536032 /nfs/dbraw/zinc/53/60/32/811536032.db2.gz CGNRJLAWDPLUEJ-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981260 811536875 /nfs/dbraw/zinc/53/68/75/811536875.db2.gz MTJPGLAONGUYMW-UPJWGTAASA-N 2 1 296.415 -0.252 20 0 CBADMP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981260 811536885 /nfs/dbraw/zinc/53/68/85/811536885.db2.gz MTJPGLAONGUYMW-UPJWGTAASA-N 2 1 296.415 -0.252 20 0 CBADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1C[N@H+](C(C)(C)C)CCN1 ZINC001157720255 815456838 /nfs/dbraw/zinc/45/68/38/815456838.db2.gz DPDAIGOVZPPLDU-QWHCGFSZSA-N 2 1 298.431 -0.495 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(N)=O)C2 ZINC001111908537 811559105 /nfs/dbraw/zinc/55/91/05/811559105.db2.gz FERVUDBCJIIMQP-WFASDCNBSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001111908537 811559110 /nfs/dbraw/zinc/55/91/10/811559110.db2.gz FERVUDBCJIIMQP-WFASDCNBSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861467 811559511 /nfs/dbraw/zinc/55/95/11/811559511.db2.gz OPTPJQSURZYDBZ-XUJVJEKNSA-N 2 1 296.415 -0.217 20 0 CBADMP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC001157730815 815459837 /nfs/dbraw/zinc/45/98/37/815459837.db2.gz PLCHXSABUUALTN-WCQYABFASA-N 2 1 283.351 -0.041 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001157740325 815460308 /nfs/dbraw/zinc/46/03/08/815460308.db2.gz NLKJLLWONDSALT-AAEUAGOBSA-N 2 1 273.352 -0.004 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001157740325 815460309 /nfs/dbraw/zinc/46/03/09/815460309.db2.gz NLKJLLWONDSALT-AAEUAGOBSA-N 2 1 273.352 -0.004 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[NH+](C[C@H](O)COC)CC1 ZINC001113499327 811643433 /nfs/dbraw/zinc/64/34/33/811643433.db2.gz UBTCYESSINREKZ-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[NH+](C[C@H](O)COC)CC1 ZINC001113499327 811643437 /nfs/dbraw/zinc/64/34/37/811643437.db2.gz UBTCYESSINREKZ-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C)CCN1c1cc(C2C[NH2+]C2)ncn1 ZINC001157781523 815465809 /nfs/dbraw/zinc/46/58/09/815465809.db2.gz UHCIMKKZLGAXSS-LBPRGKRZSA-N 2 1 291.355 -0.543 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C)CCN1c1cc(C2C[NH2+]C2)ncn1 ZINC001157781523 815465812 /nfs/dbraw/zinc/46/58/12/815465812.db2.gz UHCIMKKZLGAXSS-LBPRGKRZSA-N 2 1 291.355 -0.543 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157755885 815462983 /nfs/dbraw/zinc/46/29/83/815462983.db2.gz UFRPEODYPZLVDG-GXTWGEPZSA-N 2 1 286.395 -0.088 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157798875 815468742 /nfs/dbraw/zinc/46/87/42/815468742.db2.gz GEUDBBCZKUHYRX-UTLUCORTSA-N 2 1 257.334 -0.537 20 0 CBADMP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001157841804 815470584 /nfs/dbraw/zinc/47/05/84/815470584.db2.gz HXZBOSNZSMTHSX-ROEYZRMQSA-N 2 1 266.389 -0.206 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC[C@H](C[NH3+])[C@H]1C ZINC001157844904 815471172 /nfs/dbraw/zinc/47/11/72/815471172.db2.gz YGGDEQPHCZAKNF-MXWKQRLJSA-N 2 1 271.361 -0.147 20 0 CBADMP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)C1CC1 ZINC001114404997 811747373 /nfs/dbraw/zinc/74/73/73/811747373.db2.gz LILBIHKQHAEMCK-DGAVXFQQSA-N 2 1 281.400 -0.245 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001114483677 811752001 /nfs/dbraw/zinc/75/20/01/811752001.db2.gz KXXIRDIWVTZQDJ-WYUUTHIRSA-N 2 1 296.415 -0.363 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001114483677 811752008 /nfs/dbraw/zinc/75/20/08/811752008.db2.gz KXXIRDIWVTZQDJ-WYUUTHIRSA-N 2 1 296.415 -0.363 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001114483677 811752016 /nfs/dbraw/zinc/75/20/16/811752016.db2.gz KXXIRDIWVTZQDJ-WYUUTHIRSA-N 2 1 296.415 -0.363 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001114483677 811752023 /nfs/dbraw/zinc/75/20/23/811752023.db2.gz KXXIRDIWVTZQDJ-WYUUTHIRSA-N 2 1 296.415 -0.363 20 0 CBADMP C[C@@H]1CC[C@@H](CO)CN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157854429 815473616 /nfs/dbraw/zinc/47/36/16/815473616.db2.gz DALSSQZRNLHJLQ-VXGBXAGGSA-N 2 1 269.389 -0.053 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001157886995 815477160 /nfs/dbraw/zinc/47/71/60/815477160.db2.gz OKXNVBQLGVQBBO-OLZOCXBDSA-N 2 1 296.415 -0.156 20 0 CBADMP CN1CCN(C(=[NH2+])Nc2ncc3c(n2)C[NH2+]C3)CC1 ZINC001157915596 815481192 /nfs/dbraw/zinc/48/11/92/815481192.db2.gz SVOUXNUXYIQORO-UHFFFAOYSA-N 2 1 261.333 -0.326 20 0 CBADMP CN1CCN(C(=[NH2+])Nc2ncnc3c2C[NH2+]C3)CC1 ZINC001157914320 815481731 /nfs/dbraw/zinc/48/17/31/815481731.db2.gz BKOJRNCABGHERY-UHFFFAOYSA-N 2 1 261.333 -0.326 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCc2n[nH]cc2C1 ZINC001157988592 815495513 /nfs/dbraw/zinc/49/55/13/815495513.db2.gz HNPQXKKVZIDEDE-UHFFFAOYSA-N 2 1 263.345 -0.364 20 0 CBADMP [NH3+][C@@H](C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)c1ccccc1 ZINC001158091747 815504220 /nfs/dbraw/zinc/50/42/20/815504220.db2.gz HYTPAILEJOSKMH-HIFRSBDPSA-N 2 1 288.351 -0.623 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750302 812156650 /nfs/dbraw/zinc/15/66/50/812156650.db2.gz FHFVWIXGMBEQQK-CIQGVGRVSA-N 2 1 296.415 -0.491 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001114779123 812159980 /nfs/dbraw/zinc/15/99/80/812159980.db2.gz XOBJEOXDAJOALC-KZVDOYCCSA-N 2 1 294.399 -0.737 20 0 CBADMP 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 812164209 /nfs/dbraw/zinc/16/42/09/812164209.db2.gz JUVFAJCFWBFBLH-DGTMBMJNSA-N 2 1 299.415 -0.620 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[NH+](C)C ZINC001114854687 812164671 /nfs/dbraw/zinc/16/46/71/812164671.db2.gz QUYKJGBIMNXFTC-WHOHXGKFSA-N 2 1 255.362 -0.635 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@]23CCC[NH2+]C3)C1 ZINC001158160200 815507617 /nfs/dbraw/zinc/50/76/17/815507617.db2.gz JFXZYNDNYUHAPA-MDZLAQPJSA-N 2 1 252.362 -0.580 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](C)O)C[C@H]21 ZINC001115081502 812178245 /nfs/dbraw/zinc/17/82/45/812178245.db2.gz SGROPOUROIAIOH-CIQGVGRVSA-N 2 1 269.389 -0.245 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001115081502 812178249 /nfs/dbraw/zinc/17/82/49/812178249.db2.gz SGROPOUROIAIOH-CIQGVGRVSA-N 2 1 269.389 -0.245 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001115081502 812178253 /nfs/dbraw/zinc/17/82/53/812178253.db2.gz SGROPOUROIAIOH-CIQGVGRVSA-N 2 1 269.389 -0.245 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115155155 812181779 /nfs/dbraw/zinc/18/17/79/812181779.db2.gz YAFRYTBNICGNKV-NMKXLXIOSA-N 2 1 296.415 -0.362 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115155155 812181788 /nfs/dbraw/zinc/18/17/88/812181788.db2.gz YAFRYTBNICGNKV-NMKXLXIOSA-N 2 1 296.415 -0.362 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115155155 812181792 /nfs/dbraw/zinc/18/17/92/812181792.db2.gz YAFRYTBNICGNKV-NMKXLXIOSA-N 2 1 296.415 -0.362 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115155155 812181800 /nfs/dbraw/zinc/18/18/00/812181800.db2.gz YAFRYTBNICGNKV-NMKXLXIOSA-N 2 1 296.415 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](C)O)C[C@H]21 ZINC001115161860 812183086 /nfs/dbraw/zinc/18/30/86/812183086.db2.gz OGQIUSRAWYDVJT-CIQGVGRVSA-N 2 1 269.389 -0.245 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001115161860 812183092 /nfs/dbraw/zinc/18/30/92/812183092.db2.gz OGQIUSRAWYDVJT-CIQGVGRVSA-N 2 1 269.389 -0.245 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001115161860 812183098 /nfs/dbraw/zinc/18/30/98/812183098.db2.gz OGQIUSRAWYDVJT-CIQGVGRVSA-N 2 1 269.389 -0.245 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115242089 812186749 /nfs/dbraw/zinc/18/67/49/812186749.db2.gz VEQRSDVGHLHEOV-NMKXLXIOSA-N 2 1 294.399 -0.879 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115242089 812186755 /nfs/dbraw/zinc/18/67/55/812186755.db2.gz VEQRSDVGHLHEOV-NMKXLXIOSA-N 2 1 294.399 -0.879 20 0 CBADMP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001115242089 812186759 /nfs/dbraw/zinc/18/67/59/812186759.db2.gz VEQRSDVGHLHEOV-NMKXLXIOSA-N 2 1 294.399 -0.879 20 0 CBADMP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001115242089 812186765 /nfs/dbraw/zinc/18/67/65/812186765.db2.gz VEQRSDVGHLHEOV-NMKXLXIOSA-N 2 1 294.399 -0.879 20 0 CBADMP O=C1CNC(=O)N1CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001115994959 812211303 /nfs/dbraw/zinc/21/13/03/812211303.db2.gz JBPUOIWWQRMBRF-AOOOYVTPSA-N 2 1 252.318 -0.921 20 0 CBADMP O=C1CNC(=O)N1CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001115994959 812211312 /nfs/dbraw/zinc/21/13/12/812211312.db2.gz JBPUOIWWQRMBRF-AOOOYVTPSA-N 2 1 252.318 -0.921 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@@H]2CCO[C@H]2C1 ZINC001158338489 815522003 /nfs/dbraw/zinc/52/20/03/815522003.db2.gz BDQNHHUKRPWVRN-YPMHNXCESA-N 2 1 267.373 -0.035 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)CC2 ZINC001158349630 815522027 /nfs/dbraw/zinc/52/20/27/815522027.db2.gz ZHHBYWOXNCHPFH-CABZTGNLSA-N 2 1 264.329 -0.632 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)CC2 ZINC001158348752 815522155 /nfs/dbraw/zinc/52/21/55/815522155.db2.gz UZOZBDAQPIAIGZ-UWVGGRQHSA-N 2 1 263.345 -0.808 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001158381078 815522655 /nfs/dbraw/zinc/52/26/55/815522655.db2.gz XHSFYWVRMTZYAA-HBNTYKKESA-N 2 1 270.377 -0.704 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCCO)CC[N@H+]1C ZINC001158381211 815522672 /nfs/dbraw/zinc/52/26/72/815522672.db2.gz ZWTJBOAXJIULQK-VXGBXAGGSA-N 2 1 257.378 -0.195 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(N)=O)CC[N@H+]1C ZINC001158403548 815527289 /nfs/dbraw/zinc/52/72/89/815527289.db2.gz JPUQEDMCUVRROP-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158421050 815528279 /nfs/dbraw/zinc/52/82/79/815528279.db2.gz QYQHAXSUYUXVFM-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP c1ncc(N2CC[N@@H+]3CC[C@H]3C2)nc1N1CC[NH2+]CC1 ZINC001158434460 815529501 /nfs/dbraw/zinc/52/95/01/815529501.db2.gz RUSHXKBLEJIFRJ-LBPRGKRZSA-N 2 1 274.372 -0.220 20 0 CBADMP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158428655 815529669 /nfs/dbraw/zinc/52/96/69/815529669.db2.gz MSBIWESMKPAEGN-JHJVBQTASA-N 2 1 287.404 -0.570 20 0 CBADMP C[C@@H](C(=O)NC1CC1)N1CC[NH+](CCOCC[NH3+])CC1 ZINC001118222999 812499024 /nfs/dbraw/zinc/49/90/24/812499024.db2.gz KDRYDQPDJZMOHF-LBPRGKRZSA-N 2 1 284.404 -0.754 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(CC(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC001118264124 812511417 /nfs/dbraw/zinc/51/14/17/812511417.db2.gz TTYRZWPETUNOTR-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(N)=O ZINC001158450885 815534667 /nfs/dbraw/zinc/53/46/67/815534667.db2.gz ZYCVHDQWHJVUMK-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(N)=O ZINC001158450885 815534670 /nfs/dbraw/zinc/53/46/70/815534670.db2.gz ZYCVHDQWHJVUMK-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC001118483403 812554230 /nfs/dbraw/zinc/55/42/30/812554230.db2.gz XQAAIKVKUZXPNX-WDEREUQCSA-N 2 1 295.387 -0.332 20 0 CBADMP CCOC(=O)[C@]12C[C@H]1CCN2C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001158523853 815536347 /nfs/dbraw/zinc/53/63/47/815536347.db2.gz JUUDBIBCODTADW-ABAIWWIYSA-N 2 1 295.383 -0.118 20 0 CBADMP C[NH2+]C[C@](C)(O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118505415 812560956 /nfs/dbraw/zinc/56/09/56/812560956.db2.gz FANJEEBKIZOBOL-OLZOCXBDSA-N 2 1 257.378 -0.637 20 0 CBADMP O=C(NCCC[NH2+]CCF)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158507054 815536729 /nfs/dbraw/zinc/53/67/29/815536729.db2.gz OWJURANOKPJSIG-VXGBXAGGSA-N 2 1 273.352 -0.085 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001118545045 812572303 /nfs/dbraw/zinc/57/23/03/812572303.db2.gz DEFSJCNJUPAJOV-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP O=C(C[N@H+]1CC[C@]2(C1)CCCOC2)N1CC[NH2+]CC1 ZINC001118569411 812579011 /nfs/dbraw/zinc/57/90/11/812579011.db2.gz VOLLLMOQECSLPR-AWEZNQCLSA-N 2 1 267.373 -0.079 20 0 CBADMP O=C(C[N@H+]1CC[C@@]2(C1)CCCOC2)N1CC[NH2+]CC1 ZINC001118569412 812579364 /nfs/dbraw/zinc/57/93/64/812579364.db2.gz VOLLLMOQECSLPR-CQSZACIVSA-N 2 1 267.373 -0.079 20 0 CBADMP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3COCC[NH2+]3)C[C@H]2CF)CC1 ZINC001158577523 815539378 /nfs/dbraw/zinc/53/93/78/815539378.db2.gz ILZSIEFOTGMCGH-MXWKQRLJSA-N 2 1 271.336 -0.490 20 0 CBADMP [NH3+]C1([C@H]2CN(C(=O)[C@@H]3COC[NH2+]3)C[C@H]2CF)CC1 ZINC001158569283 815539606 /nfs/dbraw/zinc/53/96/06/815539606.db2.gz XKRKWHPZVKBMCD-UTLUCORTSA-N 2 1 257.309 -0.532 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001158626055 815540329 /nfs/dbraw/zinc/54/03/29/815540329.db2.gz CPXWRAZJQUSMLA-FPYNETTCSA-N 2 1 266.389 -0.513 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001118932670 812669003 /nfs/dbraw/zinc/66/90/03/812669003.db2.gz RVHBECWIBAHLBN-VXGBXAGGSA-N 2 1 280.372 -0.839 20 0 CBADMP C[NH2+][C@@H](C)Cc1noc([C@H](C)N2CC[NH2+]CC2=O)n1 ZINC001119062933 812703503 /nfs/dbraw/zinc/70/35/03/812703503.db2.gz SEYFRODRMHBCTO-IUCAKERBSA-N 2 1 267.333 -0.287 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001119294986 812744040 /nfs/dbraw/zinc/74/40/40/812744040.db2.gz QBPMANYCINMABX-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158865869 815550880 /nfs/dbraw/zinc/55/08/80/815550880.db2.gz JDODGVYBSYCODZ-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158865869 815550886 /nfs/dbraw/zinc/55/08/86/815550886.db2.gz JDODGVYBSYCODZ-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001158865869 815550891 /nfs/dbraw/zinc/55/08/91/815550891.db2.gz JDODGVYBSYCODZ-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001158865869 815550893 /nfs/dbraw/zinc/55/08/93/815550893.db2.gz JDODGVYBSYCODZ-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)([NH3+])CCNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001119370932 812769980 /nfs/dbraw/zinc/76/99/80/812769980.db2.gz MFVVCCXNHLBMJB-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001119369099 812770097 /nfs/dbraw/zinc/77/00/97/812770097.db2.gz SALORSRQQXHEGY-XQQFMLRXSA-N 2 1 294.399 -0.463 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119427644 812782988 /nfs/dbraw/zinc/78/29/88/812782988.db2.gz SIXDERXRTGXFGT-SRVKXCTJSA-N 2 1 282.388 -0.608 20 0 CBADMP CO[C@]1(C[NH2+][C@H]2CCC[C@@H]2N)CCS(=O)(=O)C1 ZINC001119700872 812872909 /nfs/dbraw/zinc/87/29/09/812872909.db2.gz KIQZWJDUHINURU-DCAQKATOSA-N 2 1 262.375 -0.341 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC001119801119 812888118 /nfs/dbraw/zinc/88/81/18/812888118.db2.gz LFDUCMTUPBWTDS-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC001119801119 812888129 /nfs/dbraw/zinc/88/81/29/812888129.db2.gz LFDUCMTUPBWTDS-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001159224926 815564472 /nfs/dbraw/zinc/56/44/72/815564472.db2.gz MWXGAMLGVMUTCZ-AVGNSLFASA-N 2 1 294.399 -0.336 20 0 CBADMP [NH3+]C1CCN(c2cc[nH+]c(N3C[C@H](O)C[C@@H]3CO)n2)CC1 ZINC001159251334 815565681 /nfs/dbraw/zinc/56/56/81/815565681.db2.gz UCQVMHOWPMFZFL-VXGBXAGGSA-N 2 1 293.371 -0.664 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001120437354 812965389 /nfs/dbraw/zinc/96/53/89/812965389.db2.gz CLEPEDHFJOINCH-JHJVBQTASA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+](C)CCNC(=O)NCCCCC[NH+]1CCNCC1 ZINC001120564013 812991467 /nfs/dbraw/zinc/99/14/67/812991467.db2.gz BEMWHQIJDYOTIX-UHFFFAOYSA-N 2 1 285.436 -0.077 20 0 CBADMP [NH3+][C@H]1CCN(C(=O)NCCCCC[NH+]2CCNCC2)C1 ZINC001120565036 812993241 /nfs/dbraw/zinc/99/32/41/812993241.db2.gz RBGLTVXTCOOHCL-ZDUSSCGKSA-N 2 1 283.420 -0.196 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001120573659 812993943 /nfs/dbraw/zinc/99/39/43/812993943.db2.gz HBBORCDIQGCFPR-JKSUJKDBSA-N 2 1 298.475 -0.085 20 0 CBADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC001120573659 812993946 /nfs/dbraw/zinc/99/39/46/812993946.db2.gz HBBORCDIQGCFPR-JKSUJKDBSA-N 2 1 298.475 -0.085 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC001120573659 812993950 /nfs/dbraw/zinc/99/39/50/812993950.db2.gz HBBORCDIQGCFPR-JKSUJKDBSA-N 2 1 298.475 -0.085 20 0 CBADMP [NH3+]CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001120625498 813002181 /nfs/dbraw/zinc/00/21/81/813002181.db2.gz JMOSPLLVZPSPAK-NEPJUHHUSA-N 2 1 270.377 -0.424 20 0 CBADMP O=C(C[NH+]1CCC(CO)CC1)NC[C@H]1CCCC[NH2+]1 ZINC001121810584 813077848 /nfs/dbraw/zinc/07/78/48/813077848.db2.gz LGXQCTKEKVALTF-CYBMUJFWSA-N 2 1 269.389 -0.051 20 0 CBADMP O=C(C[C@]1(O)CCC[NH2+]C1)NCCC[NH+]1CCOCC1 ZINC001121896226 813085907 /nfs/dbraw/zinc/08/59/07/813085907.db2.gz AXSTWDHEPBJGCT-CQSZACIVSA-N 2 1 285.388 -0.671 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001121906148 813088154 /nfs/dbraw/zinc/08/81/54/813088154.db2.gz QRFOCGCZNOIOIK-FRRDWIJNSA-N 2 1 267.373 -0.368 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121909460 813089288 /nfs/dbraw/zinc/08/92/88/813089288.db2.gz RQGCWWYJVZUAGN-RYUDHWBXSA-N 2 1 282.388 -0.748 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001121917317 813090334 /nfs/dbraw/zinc/09/03/34/813090334.db2.gz QYDDWUICTVCPRN-STQMWFEESA-N 2 1 268.405 -0.119 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)CNCC[NH3+])CC[C@@H]21 ZINC001121971489 813097952 /nfs/dbraw/zinc/09/79/52/813097952.db2.gz BVXDQFHBAWGIOB-RYUDHWBXSA-N 2 1 254.378 -0.523 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)CNCC[NH3+])CC[C@H]21 ZINC001121971487 813098414 /nfs/dbraw/zinc/09/84/14/813098414.db2.gz BVXDQFHBAWGIOB-NWDGAFQWSA-N 2 1 254.378 -0.523 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001121975366 813099976 /nfs/dbraw/zinc/09/99/76/813099976.db2.gz RGONGEDWUXMOFG-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CNCC[NH3+])[C@@H](C)C1 ZINC001122002536 813102613 /nfs/dbraw/zinc/10/26/13/813102613.db2.gz GNAWOFHLFROBEP-NWDGAFQWSA-N 2 1 256.394 -0.277 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CC1CC([NH3+])C1 ZINC001122009303 813103681 /nfs/dbraw/zinc/10/36/81/813103681.db2.gz LBEFNDYUHLYGFK-PNESKVBLSA-N 2 1 268.405 -0.134 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC001122010887 813104352 /nfs/dbraw/zinc/10/43/52/813104352.db2.gz BJXPKVDXHAETEQ-SNVBAGLBSA-N 2 1 257.334 -0.569 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CC1CC([NH3+])C1 ZINC001122009302 813104497 /nfs/dbraw/zinc/10/44/97/813104497.db2.gz LBEFNDYUHLYGFK-HIFPTAJRSA-N 2 1 268.405 -0.134 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001122075298 813112779 /nfs/dbraw/zinc/11/27/79/813112779.db2.gz KHMJRSAMRCMJKP-GMXVVIOVSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@H]([NH3+])CONC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC001122074793 813113471 /nfs/dbraw/zinc/11/34/71/813113471.db2.gz DLRWBGHGKRAFNK-NSHDSACASA-N 2 1 293.371 -0.158 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001122080158 813114763 /nfs/dbraw/zinc/11/47/63/813114763.db2.gz CIVYUHOYYKECEN-FDYHWXHSSA-N 2 1 266.389 -0.239 20 0 CBADMP Cc1cccc(NCCNC(=O)[C@@H]2C[NH2+]CCN2C)[nH+]1 ZINC001122115435 813119386 /nfs/dbraw/zinc/11/93/86/813119386.db2.gz PQUJHFPWOYIJSJ-LBPRGKRZSA-N 2 1 277.372 -0.178 20 0 CBADMP C[C@@H](C(=O)NCCN1CCC([NH3+])CC1)N1CC[NH+](C)CC1 ZINC001122156738 813126146 /nfs/dbraw/zinc/12/61/46/813126146.db2.gz BREUYEPINZOWPP-ZDUSSCGKSA-N 2 1 297.447 -0.838 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001122184966 813129141 /nfs/dbraw/zinc/12/91/41/813129141.db2.gz LBZWEBWGANLZAC-WISYIIOYSA-N 2 1 252.362 -0.677 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001122184964 813129309 /nfs/dbraw/zinc/12/93/09/813129309.db2.gz LBZWEBWGANLZAC-WHOHXGKFSA-N 2 1 252.362 -0.677 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC[C@H]21 ZINC001122191466 813130181 /nfs/dbraw/zinc/13/01/81/813130181.db2.gz MMXMFICVKKQGKO-HBNTYKKESA-N 2 1 255.362 -0.363 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001122197179 813131957 /nfs/dbraw/zinc/13/19/57/813131957.db2.gz XTWXJZZSLYVCTK-FDYHWXHSSA-N 2 1 266.389 -0.239 20 0 CBADMP CN1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC[N@@H+](C)CC1 ZINC001122290077 813140410 /nfs/dbraw/zinc/14/04/10/813140410.db2.gz AXSHBOKKVXTWGK-ZDUSSCGKSA-N 2 1 268.405 -0.180 20 0 CBADMP CN1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC[N@H+](C)CC1 ZINC001122291704 813140947 /nfs/dbraw/zinc/14/09/47/813140947.db2.gz XMMYDUFGJDSTNB-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP CN1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC[N@@H+](C)CC1 ZINC001122291704 813140953 /nfs/dbraw/zinc/14/09/53/813140953.db2.gz XMMYDUFGJDSTNB-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP CN1CCN(C(=O)CC[NH2+]C2CC2)CC[N@@H+](C)CC1 ZINC001122290313 813141026 /nfs/dbraw/zinc/14/10/26/813141026.db2.gz FWPQAMSOLGCWFW-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@@H+](C)CC1 ZINC001122290770 813141187 /nfs/dbraw/zinc/14/11/87/813141187.db2.gz LOGCADQQPSAWFZ-BFHYXJOUSA-N 2 1 280.416 -0.167 20 0 CBADMP COc1cc(N[C@@H]([NH3+])CCC[NH3+])nc(S(C)(=O)=O)n1 ZINC001159786054 815594348 /nfs/dbraw/zinc/59/43/48/815594348.db2.gz VPWSOTMXJWBWOB-SSDOTTSWSA-N 2 1 289.361 -0.676 20 0 CBADMP C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@H]1C[N@@H+](C)CCN1C ZINC001122447572 813165819 /nfs/dbraw/zinc/16/58/19/813165819.db2.gz FSRPOXFZXQCZOH-YNEHKIRRSA-N 2 1 268.405 -0.121 20 0 CBADMP NC(=O)c1ncc(Cl)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159784876 815594845 /nfs/dbraw/zinc/59/48/45/815594845.db2.gz LLZGDJFUINNBCY-ZCFIWIBFSA-N 2 1 258.713 -0.336 20 0 CBADMP CS(=O)(=O)c1c[nH]c2ncnc(N[C@H]([NH3+])CCC[NH3+])c12 ZINC001159783066 815594953 /nfs/dbraw/zinc/59/49/53/815594953.db2.gz ATTHECVLWZLZBY-QMMMGPOBSA-N 2 1 298.372 -0.203 20 0 CBADMP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001122535924 813174542 /nfs/dbraw/zinc/17/45/42/813174542.db2.gz LSZNZNBAMPLOTM-WOPDTQHZSA-N 2 1 255.362 -0.219 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@@H]1C[N@@H+](C)CCN1C ZINC001122540555 813174825 /nfs/dbraw/zinc/17/48/25/813174825.db2.gz FSRPOXFZXQCZOH-AGIUHOORSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)[C@H]1C[N@@H+](C)CCN1C ZINC001122540107 813175044 /nfs/dbraw/zinc/17/50/44/813175044.db2.gz AQRVWEKPNBVLCM-TUAOUCFPSA-N 2 1 268.405 -0.265 20 0 CBADMP CS(=O)(=O)c1ccc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001159787035 815596200 /nfs/dbraw/zinc/59/62/00/815596200.db2.gz PXCRBFBKAZYDRQ-VIFPVBQESA-N 2 1 258.347 -0.079 20 0 CBADMP N[C@H](CCC[NH3+])Nc1nccc(N2CCC([NH3+])CC2)n1 ZINC001159787181 815596338 /nfs/dbraw/zinc/59/63/38/815596338.db2.gz SXWOTTAOZGMJCE-NSHDSACASA-N 2 1 279.392 -0.160 20 0 CBADMP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159877097 815602649 /nfs/dbraw/zinc/60/26/49/815602649.db2.gz NIIOVKSAVXVJHI-QWHCGFSZSA-N 2 1 297.403 -0.710 20 0 CBADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCCC[NH2+]CCF ZINC001159875943 815602709 /nfs/dbraw/zinc/60/27/09/815602709.db2.gz DJAPQHWTWGQSIX-LBPRGKRZSA-N 2 1 285.367 -0.121 20 0 CBADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCCC[NH2+]CCF ZINC001159875941 815603083 /nfs/dbraw/zinc/60/30/83/815603083.db2.gz DJAPQHWTWGQSIX-GFCCVEGCSA-N 2 1 285.367 -0.121 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CCC[N@@H+](C)CC1 ZINC001123476494 813241223 /nfs/dbraw/zinc/24/12/23/813241223.db2.gz QHNJBMWAEZJGPE-OLZOCXBDSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC([NH+](C)C)C1 ZINC001123775517 813270579 /nfs/dbraw/zinc/27/05/79/813270579.db2.gz XJKBKEYJXAAYJW-ZYHUDNBSSA-N 2 1 252.362 -0.853 20 0 CBADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001124866737 813488802 /nfs/dbraw/zinc/48/88/02/813488802.db2.gz JZTBXEDCVKHKBP-DGCLKSJQSA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001124866356 813489176 /nfs/dbraw/zinc/48/91/76/813489176.db2.gz AUTGFAHBZNKTQE-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001124866582 813489873 /nfs/dbraw/zinc/48/98/73/813489873.db2.gz GKDIGTXLDWCGDV-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001124866502 813490218 /nfs/dbraw/zinc/49/02/18/813490218.db2.gz DUAZUKUNBQVYIT-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCn1cccn1 ZINC001124867449 813490895 /nfs/dbraw/zinc/49/08/95/813490895.db2.gz VZBRKHKIMZLWSE-LBPRGKRZSA-N 2 1 265.361 -0.317 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124872535 813490919 /nfs/dbraw/zinc/49/09/19/813490919.db2.gz JFGUDJBWSRDEER-NSHDSACASA-N 2 1 270.377 -0.689 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001124872420 813492500 /nfs/dbraw/zinc/49/25/00/813492500.db2.gz FQFFJFUIGADUPN-NSHDSACASA-N 2 1 298.366 -0.452 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001124872420 813492504 /nfs/dbraw/zinc/49/25/04/813492504.db2.gz FQFFJFUIGADUPN-NSHDSACASA-N 2 1 298.366 -0.452 20 0 CBADMP Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124873572 813493492 /nfs/dbraw/zinc/49/34/92/813493492.db2.gz YLXRQZUVTHQGRN-NSHDSACASA-N 2 1 266.349 -0.885 20 0 CBADMP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001124878049 813493966 /nfs/dbraw/zinc/49/39/66/813493966.db2.gz KRZZTWXZWZVBID-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CN1CCC[C@H]([NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001124878047 813495029 /nfs/dbraw/zinc/49/50/29/813495029.db2.gz KRZZTWXZWZVBID-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cccnc2)C1 ZINC001125213336 813532516 /nfs/dbraw/zinc/53/25/16/813532516.db2.gz FNZYISPRWBDYCY-CYBMUJFWSA-N 2 1 278.356 -0.382 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cccnc2)C1 ZINC001125213336 813532522 /nfs/dbraw/zinc/53/25/22/813532522.db2.gz FNZYISPRWBDYCY-CYBMUJFWSA-N 2 1 278.356 -0.382 20 0 CBADMP CC(C)OCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125221172 813535034 /nfs/dbraw/zinc/53/50/34/813535034.db2.gz NXXOKQUHBXYEPZ-ZDUSSCGKSA-N 2 1 287.404 -0.162 20 0 CBADMP CC(C)OCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125221172 813535042 /nfs/dbraw/zinc/53/50/42/813535042.db2.gz NXXOKQUHBXYEPZ-ZDUSSCGKSA-N 2 1 287.404 -0.162 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCC2CC2)C1 ZINC001125222402 813535964 /nfs/dbraw/zinc/53/59/64/813535964.db2.gz VRIWOLYUUIFXCK-GFCCVEGCSA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCC2CC2)C1 ZINC001125222402 813535970 /nfs/dbraw/zinc/53/59/70/813535970.db2.gz VRIWOLYUUIFXCK-GFCCVEGCSA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001125226628 813538223 /nfs/dbraw/zinc/53/82/23/813538223.db2.gz FIVZLHLEIDDAOQ-NWDGAFQWSA-N 2 1 271.361 -0.941 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001125226628 813538233 /nfs/dbraw/zinc/53/82/33/813538233.db2.gz FIVZLHLEIDDAOQ-NWDGAFQWSA-N 2 1 271.361 -0.941 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001127065848 813709391 /nfs/dbraw/zinc/70/93/91/813709391.db2.gz FYETYRJCVMRYEL-STQMWFEESA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001127066878 813709542 /nfs/dbraw/zinc/70/95/42/813709542.db2.gz UIBZQPGLAAJCML-ZDUSSCGKSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001127066878 813709547 /nfs/dbraw/zinc/70/95/47/813709547.db2.gz UIBZQPGLAAJCML-ZDUSSCGKSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001127067121 813710428 /nfs/dbraw/zinc/71/04/28/813710428.db2.gz WVUJEVHLMBZZIW-ZDUSSCGKSA-N 2 1 287.404 -0.426 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001127065619 813710481 /nfs/dbraw/zinc/71/04/81/813710481.db2.gz CDIXDOQDVQLWPH-JTQLQIEISA-N 2 1 256.350 -0.950 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001127082503 813711794 /nfs/dbraw/zinc/71/17/94/813711794.db2.gz SHHBNHDEFGCWBW-VXGBXAGGSA-N 2 1 284.404 -0.171 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001127082561 813711970 /nfs/dbraw/zinc/71/19/70/813711970.db2.gz UYEGNLNFDAJZRH-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256541 813721255 /nfs/dbraw/zinc/72/12/55/813721255.db2.gz OVMWIDXPFLZNJD-NEPJUHHUSA-N 2 1 282.388 -0.687 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256005 813722149 /nfs/dbraw/zinc/72/21/49/813722149.db2.gz LVIOJKBCDOUZHS-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cn(C)nn2)CC[N@@H+]1C ZINC001127639057 813739209 /nfs/dbraw/zinc/73/92/09/813739209.db2.gz SRWLFWOAOBVDHT-ZYHUDNBSSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cn(C)nn2)CC[N@H+]1C ZINC001127639057 813739213 /nfs/dbraw/zinc/73/92/13/813739213.db2.gz SRWLFWOAOBVDHT-ZYHUDNBSSA-N 2 1 280.376 -0.639 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001127643630 813739296 /nfs/dbraw/zinc/73/92/96/813739296.db2.gz DTPTWLNNXBSGPV-GMTAPVOTSA-N 2 1 270.377 -0.704 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C)CC[N@H+]1C ZINC001127701463 813740801 /nfs/dbraw/zinc/74/08/01/813740801.db2.gz POVNANRILYTHRI-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001127690771 813741405 /nfs/dbraw/zinc/74/14/05/813741405.db2.gz SKWKLLBMBULTAU-DGCLKSJQSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001127690771 813741411 /nfs/dbraw/zinc/74/14/11/813741411.db2.gz SKWKLLBMBULTAU-DGCLKSJQSA-N 2 1 294.403 -0.156 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)CC[N@H+]1C ZINC001127701464 813741751 /nfs/dbraw/zinc/74/17/51/813741751.db2.gz POVNANRILYTHRI-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)CC[N@H+]1C ZINC001127690565 813741886 /nfs/dbraw/zinc/74/18/86/813741886.db2.gz OSSAFQJGUHLVQS-GHMZBOCLSA-N 2 1 291.417 -0.923 20 0 CBADMP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127690749 813742230 /nfs/dbraw/zinc/74/22/30/813742230.db2.gz SBMAJPYYLIGMJR-YNEHKIRRSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nncn2C)CC[N@@H+]1C ZINC001127691031 813742579 /nfs/dbraw/zinc/74/25/79/813742579.db2.gz YLULQPGITDGHGI-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nncn2C)CC[N@H+]1C ZINC001127691031 813742585 /nfs/dbraw/zinc/74/25/85/813742585.db2.gz YLULQPGITDGHGI-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nccn2C)CC[N@@H+]1C ZINC001127685511 813742638 /nfs/dbraw/zinc/74/26/38/813742638.db2.gz QHJWQUAHWIBPFW-VXGBXAGGSA-N 2 1 279.388 -0.034 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nccn2C)CC[N@H+]1C ZINC001127685511 813742643 /nfs/dbraw/zinc/74/26/43/813742643.db2.gz QHJWQUAHWIBPFW-VXGBXAGGSA-N 2 1 279.388 -0.034 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@H](C)O)CC[N@H+]1C ZINC001127701889 813743523 /nfs/dbraw/zinc/74/35/23/813743523.db2.gz ZQBAMWQLVKQDNZ-SDDRHHMPSA-N 2 1 257.378 -0.197 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127765280 813747544 /nfs/dbraw/zinc/74/75/44/813747544.db2.gz JNKXCBFSUUUJOS-STQMWFEESA-N 2 1 285.388 -0.408 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127765277 813747600 /nfs/dbraw/zinc/74/76/00/813747600.db2.gz JNKXCBFSUUUJOS-CHWSQXEVSA-N 2 1 285.388 -0.408 20 0 CBADMP O=C(NCC[NH2+]Cc1ccon1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779250 813748078 /nfs/dbraw/zinc/74/80/78/813748078.db2.gz KBCRVQXEQAYYMN-STQMWFEESA-N 2 1 294.355 -0.256 20 0 CBADMP O=C(NCC[NH2+]Cc1ccon1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779250 813748085 /nfs/dbraw/zinc/74/80/85/813748085.db2.gz KBCRVQXEQAYYMN-STQMWFEESA-N 2 1 294.355 -0.256 20 0 CBADMP O=C(NCC[NH2+]CCCF)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779924 813748148 /nfs/dbraw/zinc/74/81/48/813748148.db2.gz SXQWHARXLPWCRX-NWDGAFQWSA-N 2 1 273.352 -0.085 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001128778734 813798461 /nfs/dbraw/zinc/79/84/61/813798461.db2.gz LEJYNUOOCHKRDO-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001128786795 813799285 /nfs/dbraw/zinc/79/92/85/813799285.db2.gz WDGTYMDBTTXYFR-NEPJUHHUSA-N 2 1 257.378 -0.053 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001128783884 813799520 /nfs/dbraw/zinc/79/95/20/813799520.db2.gz JLDXVUUHCCJBFP-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129341443 813836547 /nfs/dbraw/zinc/83/65/47/813836547.db2.gz UYKVESMVKCDVNG-CYBMUJFWSA-N 2 1 298.431 -0.194 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129386556 813840547 /nfs/dbraw/zinc/84/05/47/813840547.db2.gz NHSCKTHHMLRSML-CYBMUJFWSA-N 2 1 297.403 -0.444 20 0 CBADMP CCC[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129386030 813840740 /nfs/dbraw/zinc/84/07/40/813840740.db2.gz JHHYXHORHLQTDA-GFCCVEGCSA-N 2 1 267.377 -0.071 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129429658 813841328 /nfs/dbraw/zinc/84/13/28/813841328.db2.gz IXNQJAGKWVPDLF-GFCCVEGCSA-N 2 1 282.388 -0.416 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129429659 813841483 /nfs/dbraw/zinc/84/14/83/813841483.db2.gz IXNQJAGKWVPDLF-LBPRGKRZSA-N 2 1 282.388 -0.416 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21)C(N)=O ZINC001129429671 813841891 /nfs/dbraw/zinc/84/18/91/813841891.db2.gz JLCKGXOXYNBWRL-MNOVXSKESA-N 2 1 293.371 -0.270 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435931 813843942 /nfs/dbraw/zinc/84/39/42/813843942.db2.gz JYDNYWHRNIVFJE-ZDUSSCGKSA-N 2 1 279.388 -0.034 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001129841518 813871167 /nfs/dbraw/zinc/87/11/67/813871167.db2.gz OHZJDUDVOOVFFF-ZDUSSCGKSA-N 2 1 294.403 -0.105 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)CC[C@@H]2CCC[N@H+]2C)n1 ZINC001129841518 813871177 /nfs/dbraw/zinc/87/11/77/813871177.db2.gz OHZJDUDVOOVFFF-ZDUSSCGKSA-N 2 1 294.403 -0.105 20 0 CBADMP CO[C@H](C)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182420 813912964 /nfs/dbraw/zinc/91/29/64/813912964.db2.gz GYKCDAAYTZKAIK-IJLUTSLNSA-N 2 1 273.377 -0.554 20 0 CBADMP CO[C@H](C)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182420 813912973 /nfs/dbraw/zinc/91/29/73/813912973.db2.gz GYKCDAAYTZKAIK-IJLUTSLNSA-N 2 1 273.377 -0.554 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC[C@H]2CCCO2)O1 ZINC001130182555 813913699 /nfs/dbraw/zinc/91/36/99/813913699.db2.gz NCSLBCNQMRDYAP-MGPQQGTHSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC[C@H]2CCCO2)O1 ZINC001130182555 813913706 /nfs/dbraw/zinc/91/37/06/813913706.db2.gz NCSLBCNQMRDYAP-MGPQQGTHSA-N 2 1 299.415 -0.020 20 0 CBADMP O=C(NCC[NH2+]CCOCCO)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130189104 813916111 /nfs/dbraw/zinc/91/61/11/813916111.db2.gz NFLHAQZOQIMVGX-UONOGXRCSA-N 2 1 299.415 -0.282 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130186245 813916775 /nfs/dbraw/zinc/91/67/75/813916775.db2.gz DJXRPEGSSYGOEG-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001130297147 813922465 /nfs/dbraw/zinc/92/24/65/813922465.db2.gz IPXHBCKQPHCVNB-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)N(C)C ZINC001130304010 813924390 /nfs/dbraw/zinc/92/43/90/813924390.db2.gz QJVJLCHGMYPKNU-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130297505 813924831 /nfs/dbraw/zinc/92/48/31/813924831.db2.gz NLQNSCGUJDDZMY-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001130300856 813925481 /nfs/dbraw/zinc/92/54/81/813925481.db2.gz WHUMYMJPNOEBCT-ZJUUUORDSA-N 2 1 256.350 -0.950 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130300871 813925554 /nfs/dbraw/zinc/92/55/54/813925554.db2.gz WRDDODKXIHQEJV-QWRGUYRKSA-N 2 1 270.377 -0.689 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130297504 813925980 /nfs/dbraw/zinc/92/59/80/813925980.db2.gz NLQNSCGUJDDZMY-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1nncn1C ZINC001130419258 813938995 /nfs/dbraw/zinc/93/89/95/813938995.db2.gz RMFXXXKNOSVBFS-UHFFFAOYSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1nncn1C ZINC001130419258 813939002 /nfs/dbraw/zinc/93/90/02/813939002.db2.gz RMFXXXKNOSVBFS-UHFFFAOYSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001130425416 813939153 /nfs/dbraw/zinc/93/91/53/813939153.db2.gz YFMJXXHKZDQGOZ-UHFFFAOYSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001130425416 813939159 /nfs/dbraw/zinc/93/91/59/813939159.db2.gz YFMJXXHKZDQGOZ-UHFFFAOYSA-N 2 1 282.392 -0.249 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NCC[NH2+]CCCO)no1 ZINC001130648187 813958783 /nfs/dbraw/zinc/95/87/83/813958783.db2.gz JIMROKAOIQNZKQ-UHFFFAOYSA-N 2 1 270.333 -0.562 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCO ZINC001130708770 813968236 /nfs/dbraw/zinc/96/82/36/813968236.db2.gz HHROCZFYGCYENH-GFCCVEGCSA-N 2 1 257.378 -0.195 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380639 814026450 /nfs/dbraw/zinc/02/64/50/814026450.db2.gz UVEBZKADOVDDEC-UHFFFAOYSA-N 2 1 267.333 -0.967 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC(N)=O ZINC001132274695 814119640 /nfs/dbraw/zinc/11/96/40/814119640.db2.gz YLEVEEQCFXSNLH-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC(N)=O ZINC001132274695 814119647 /nfs/dbraw/zinc/11/96/47/814119647.db2.gz YLEVEEQCFXSNLH-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132273363 814120717 /nfs/dbraw/zinc/12/07/17/814120717.db2.gz FMVAJGNFOXTZII-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132273363 814120722 /nfs/dbraw/zinc/12/07/22/814120722.db2.gz FMVAJGNFOXTZII-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001132738395 814182286 /nfs/dbraw/zinc/18/22/86/814182286.db2.gz BJAAKNFEKYMQDX-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001132738046 814183336 /nfs/dbraw/zinc/18/33/36/814183336.db2.gz UMLGPNXDTOLGTF-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790773 814188775 /nfs/dbraw/zinc/18/87/75/814188775.db2.gz KFVZQANUBAYNSA-ZDUSSCGKSA-N 2 1 296.415 -0.025 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C)CC[N@@H+]1C ZINC001132882265 814198320 /nfs/dbraw/zinc/19/83/20/814198320.db2.gz COBJFKUGJHDIDQ-QWRGUYRKSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C)CC[N@H+]1C ZINC001132882265 814198328 /nfs/dbraw/zinc/19/83/28/814198328.db2.gz COBJFKUGJHDIDQ-QWRGUYRKSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001132892828 814199890 /nfs/dbraw/zinc/19/98/90/814199890.db2.gz BRKKAJZWKQNVPU-XQQFMLRXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001132893065 814199909 /nfs/dbraw/zinc/19/99/09/814199909.db2.gz JBHXDMFTQTZJJW-SRVKXCTJSA-N 2 1 284.404 -0.314 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[NH2+]CCCO)CC2 ZINC001133000540 814206182 /nfs/dbraw/zinc/20/61/82/814206182.db2.gz BUDFFRMUGLZZGI-GFCCVEGCSA-N 2 1 280.372 -0.158 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001132993497 814207163 /nfs/dbraw/zinc/20/71/63/814207163.db2.gz WYLULTYPZDMSTF-UHFFFAOYSA-N 2 1 294.403 -0.154 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)CCC[NH+](C)C)n1 ZINC001133040596 814212086 /nfs/dbraw/zinc/21/20/86/814212086.db2.gz YNDGMWRABDJFNK-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040309 814212150 /nfs/dbraw/zinc/21/21/50/814212150.db2.gz KXZUPDWCXKPCMT-UHFFFAOYSA-N 2 1 267.377 -0.032 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133274336 814232917 /nfs/dbraw/zinc/23/29/17/814232917.db2.gz GMAVANNXTZIXJZ-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)CC[NH+](C)C)[nH]1 ZINC001133286976 814236385 /nfs/dbraw/zinc/23/63/85/814236385.db2.gz APEVYABAMXWMNN-UHFFFAOYSA-N 2 1 254.338 -0.729 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)C(N)=O ZINC001133820045 814299375 /nfs/dbraw/zinc/29/93/75/814299375.db2.gz WMALJEYZARSTDB-ZJUUUORDSA-N 2 1 256.350 -0.950 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001133820036 814300296 /nfs/dbraw/zinc/30/02/96/814300296.db2.gz WBLRYJDXTRTTJR-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001133819653 814300774 /nfs/dbraw/zinc/30/07/74/814300774.db2.gz KEYCYWCOODHPQU-NSHDSACASA-N 2 1 282.388 -0.545 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C[N@@H+]2CCC[C@H]2C)n1 ZINC001133833670 814301246 /nfs/dbraw/zinc/30/12/46/814301246.db2.gz CBTHQBRWYVKCNK-GFCCVEGCSA-N 2 1 294.403 -0.012 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C[N@H+]2CCC[C@H]2C)n1 ZINC001133833670 814301258 /nfs/dbraw/zinc/30/12/58/814301258.db2.gz CBTHQBRWYVKCNK-GFCCVEGCSA-N 2 1 294.403 -0.012 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001133824012 814301584 /nfs/dbraw/zinc/30/15/84/814301584.db2.gz VVFPXGWKOSUSTR-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)C(N)=O ZINC001133823633 814302456 /nfs/dbraw/zinc/30/24/56/814302456.db2.gz KUUFFURSVCIINR-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001133833728 814302878 /nfs/dbraw/zinc/30/28/78/814302878.db2.gz DZLNENUSCCYCTC-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001133833728 814302887 /nfs/dbraw/zinc/30/28/87/814302887.db2.gz DZLNENUSCCYCTC-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133833694 814303377 /nfs/dbraw/zinc/30/33/77/814303377.db2.gz COILWIYIRBRZKW-LBPRGKRZSA-N 2 1 294.403 -0.012 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133833694 814303387 /nfs/dbraw/zinc/30/33/87/814303387.db2.gz COILWIYIRBRZKW-LBPRGKRZSA-N 2 1 294.403 -0.012 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)C(=O)N(C)C ZINC001133824089 814303437 /nfs/dbraw/zinc/30/34/37/814303437.db2.gz XMSHUMGTPLAAGO-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001133833709 814303573 /nfs/dbraw/zinc/30/35/73/814303573.db2.gz CVMVTMBYWHPYPC-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C[N@@H+]2CCC[C@@H]2C)n1 ZINC001133833671 814303648 /nfs/dbraw/zinc/30/36/48/814303648.db2.gz CBTHQBRWYVKCNK-LBPRGKRZSA-N 2 1 294.403 -0.012 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C[N@H+]2CCC[C@@H]2C)n1 ZINC001133833671 814303658 /nfs/dbraw/zinc/30/36/58/814303658.db2.gz CBTHQBRWYVKCNK-LBPRGKRZSA-N 2 1 294.403 -0.012 20 0 CBADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849829 814306318 /nfs/dbraw/zinc/30/63/18/814306318.db2.gz FCXIJIQPLFXSLX-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001133849633 814306411 /nfs/dbraw/zinc/30/64/11/814306411.db2.gz BBAWOGSVLVCSSX-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133846332 814307726 /nfs/dbraw/zinc/30/77/26/814307726.db2.gz YZWFXLIEPDWKGH-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001133846342 814308862 /nfs/dbraw/zinc/30/88/62/814308862.db2.gz ZDSCACRPMCTVOS-GFCCVEGCSA-N 2 1 280.376 -0.674 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2nncn2C)C1 ZINC001133853153 814309380 /nfs/dbraw/zinc/30/93/80/814309380.db2.gz DLPGQSDLCIJLMD-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2nncn2C)C1 ZINC001133853153 814309388 /nfs/dbraw/zinc/30/93/88/814309388.db2.gz DLPGQSDLCIJLMD-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1nnnn1C ZINC001133846044 814309527 /nfs/dbraw/zinc/30/95/27/814309527.db2.gz SHKFLUPKXKIJCS-QWRGUYRKSA-N 2 1 295.391 -0.681 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1nnnn1C ZINC001133846044 814309532 /nfs/dbraw/zinc/30/95/32/814309532.db2.gz SHKFLUPKXKIJCS-QWRGUYRKSA-N 2 1 295.391 -0.681 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCc1ccnn1C ZINC001133862331 814309842 /nfs/dbraw/zinc/30/98/42/814309842.db2.gz CORSBCZGLLIIHH-TZMCWYRMSA-N 2 1 293.415 -0.134 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001133862837 814309856 /nfs/dbraw/zinc/30/98/56/814309856.db2.gz GTTJWHZLJMLWBG-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133853205 814310240 /nfs/dbraw/zinc/31/02/40/814310240.db2.gz DZXQTYADCXFPBD-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccnn2C)C1 ZINC001133854134 814311021 /nfs/dbraw/zinc/31/10/21/814311021.db2.gz YMNLHUWSXFQZFQ-GFCCVEGCSA-N 2 1 279.388 -0.032 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001133863959 814313341 /nfs/dbraw/zinc/31/33/41/814313341.db2.gz RZWPPHYRBIFTCB-WCQYABFASA-N 2 1 296.415 -0.584 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001133867037 814313794 /nfs/dbraw/zinc/31/37/94/814313794.db2.gz QSDXUCMAVPVUTJ-AAEUAGOBSA-N 2 1 279.388 -0.176 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nccn1C ZINC001133866343 814314243 /nfs/dbraw/zinc/31/42/43/814314243.db2.gz LDIIFKXBFAWIFW-RYUDHWBXSA-N 2 1 279.388 -0.176 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nccn1C ZINC001133866343 814314253 /nfs/dbraw/zinc/31/42/53/814314253.db2.gz LDIIFKXBFAWIFW-RYUDHWBXSA-N 2 1 279.388 -0.176 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001133869284 814315738 /nfs/dbraw/zinc/31/57/38/814315738.db2.gz CLZSTVDZMQXFBL-MNOVXSKESA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001133869284 814315746 /nfs/dbraw/zinc/31/57/46/814315746.db2.gz CLZSTVDZMQXFBL-MNOVXSKESA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001133869714 814317114 /nfs/dbraw/zinc/31/71/14/814317114.db2.gz JYGWSQFBPOWYGF-PWSUYJOCSA-N 2 1 282.388 -0.832 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[NH2+]C[C@H](C)O)C2 ZINC001133872822 814317867 /nfs/dbraw/zinc/31/78/67/814317867.db2.gz CUEZDJSJUBNXFM-CMPLNLGQSA-N 2 1 280.372 -0.159 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001133871233 814317991 /nfs/dbraw/zinc/31/79/91/814317991.db2.gz ZEMXMBCKULGBIA-AAEUAGOBSA-N 2 1 279.388 -0.176 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001133871233 814318001 /nfs/dbraw/zinc/31/80/01/814318001.db2.gz ZEMXMBCKULGBIA-AAEUAGOBSA-N 2 1 279.388 -0.176 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1)C(N)=O ZINC001133896697 814319205 /nfs/dbraw/zinc/31/92/05/814319205.db2.gz OUROLNRIOWGQBB-JTQLQIEISA-N 2 1 270.377 -0.702 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001133894003 814319759 /nfs/dbraw/zinc/31/97/59/814319759.db2.gz RRXGXDZSHALQNC-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@@H](O)C[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133890051 814320076 /nfs/dbraw/zinc/32/00/76/814320076.db2.gz DZKCIHQSLZAAIP-LLVKDONJSA-N 2 1 296.371 -0.029 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+][C@H]1CCCNC1=O)CC(C)(C)C ZINC001133899397 814320217 /nfs/dbraw/zinc/32/02/17/814320217.db2.gz FTKZXVLXVLNBDV-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896495 814320563 /nfs/dbraw/zinc/32/05/63/814320563.db2.gz LLCMJGKWZXMIRN-LLVKDONJSA-N 2 1 284.404 -0.441 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133893698 814321009 /nfs/dbraw/zinc/32/10/09/814321009.db2.gz MUMZQWBRXICTPD-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@@H](C(=O)NCC[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001133962663 814331593 /nfs/dbraw/zinc/33/15/93/814331593.db2.gz KOHGJQQORFXKHJ-NSHDSACASA-N 2 1 268.365 -0.639 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001134570051 814397009 /nfs/dbraw/zinc/39/70/09/814397009.db2.gz HMEQOHGINJRZDA-SNVBAGLBSA-N 2 1 281.360 -0.414 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134566521 814397094 /nfs/dbraw/zinc/39/70/94/814397094.db2.gz MATLMILKLGXLRU-UHFFFAOYSA-N 2 1 281.360 -0.542 20 0 CBADMP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134613065 814399684 /nfs/dbraw/zinc/39/96/84/814399684.db2.gz RWMVQNPKAJSHIB-WDEREUQCSA-N 2 1 284.404 -0.171 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001134762559 814411116 /nfs/dbraw/zinc/41/11/16/814411116.db2.gz BUXKPYIBODBRGN-RYUDHWBXSA-N 2 1 284.404 -0.171 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135095682 814436849 /nfs/dbraw/zinc/43/68/49/814436849.db2.gz NTGKYQHXKBCFOO-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135102233 814437393 /nfs/dbraw/zinc/43/73/93/814437393.db2.gz AIYDYSRIVNPMEN-NWDGAFQWSA-N 2 1 255.362 -0.299 20 0 CBADMP O=C(CCCC[NH+]1CCOCC1)NCC[NH2+]CCCO ZINC001135325867 814461868 /nfs/dbraw/zinc/46/18/68/814461868.db2.gz JSJLGGTVZPVYRO-UHFFFAOYSA-N 2 1 287.404 -0.423 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001159929659 815605798 /nfs/dbraw/zinc/60/57/98/815605798.db2.gz HXTATPRZMNIFES-RWMBFGLXSA-N 2 1 268.405 -0.182 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001159929659 815605801 /nfs/dbraw/zinc/60/58/01/815605801.db2.gz HXTATPRZMNIFES-RWMBFGLXSA-N 2 1 268.405 -0.182 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997346 815605923 /nfs/dbraw/zinc/60/59/23/815605923.db2.gz MZWIEBPAHCAYIL-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001135352779 814467950 /nfs/dbraw/zinc/46/79/50/814467950.db2.gz RQVMPTZMFSBESR-AWEZNQCLSA-N 2 1 299.415 -0.016 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CC[C@H]1CCOC1 ZINC001135352185 814468334 /nfs/dbraw/zinc/46/83/34/814468334.db2.gz CDTZKZMNBANMSK-AWEZNQCLSA-N 2 1 299.415 -0.159 20 0 CBADMP C[C@@H]1CC[C@H](C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)O1 ZINC001135352706 814468625 /nfs/dbraw/zinc/46/86/25/814468625.db2.gz OOBQTGUVYFTJQP-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP CO[C@H](C)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352584 814468870 /nfs/dbraw/zinc/46/88/70/814468870.db2.gz JALOBZWQGZZISE-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP C[NH2+]CCC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001159929715 815606479 /nfs/dbraw/zinc/60/64/79/815606479.db2.gz KEEDKFIXIVFXIA-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[NH2+]CCC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001159929715 815606486 /nfs/dbraw/zinc/60/64/86/815606486.db2.gz KEEDKFIXIVFXIA-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[N@@H+](CC(=O)NCCC[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001159997110 815606677 /nfs/dbraw/zinc/60/66/77/815606677.db2.gz GQIUXGNSKOQXAX-LBPRGKRZSA-N 2 1 282.388 -0.545 20 0 CBADMP Cn1cc(C[NH2+]CCCNC(=O)C[N@@H+](C)C2CCC2)nn1 ZINC001159997356 815606864 /nfs/dbraw/zinc/60/68/64/815606864.db2.gz NKIUZMRCUAWDPF-UHFFFAOYSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001135510619 814479566 /nfs/dbraw/zinc/47/95/66/814479566.db2.gz CHMMGHYXWNTOMF-SNVBAGLBSA-N 2 1 283.380 -0.681 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160268285 815613617 /nfs/dbraw/zinc/61/36/17/815613617.db2.gz YQLQSPBKUPPCHL-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001160272468 815613921 /nfs/dbraw/zinc/61/39/21/815613921.db2.gz AVXNAJYWKYCWLL-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001160403575 815618481 /nfs/dbraw/zinc/61/84/81/815618481.db2.gz BDGIWRHCOJRMKN-WUHRBBMRSA-N 2 1 283.372 -0.685 20 0 CBADMP CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001135859762 814531918 /nfs/dbraw/zinc/53/19/18/814531918.db2.gz AETLCOWQDLGIHL-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001135859762 814531922 /nfs/dbraw/zinc/53/19/22/814531922.db2.gz AETLCOWQDLGIHL-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001135981086 814542612 /nfs/dbraw/zinc/54/26/12/814542612.db2.gz XLMJHPAGVGNUDC-GHMZBOCLSA-N 2 1 272.393 -0.314 20 0 CBADMP OC[C@H]1C[NH2+]C[C@@H]1Nc1cc[nH+]c(N2CCOCC2)n1 ZINC001159675539 815585621 /nfs/dbraw/zinc/58/56/21/815585621.db2.gz CRXOQGQDNCETSV-MNOVXSKESA-N 2 1 279.344 -0.695 20 0 CBADMP OC[C@@H]1C[NH2+]C[C@H]1Nc1cc[nH+]c(N2CCOCC2)n1 ZINC001159675541 815586066 /nfs/dbraw/zinc/58/60/66/815586066.db2.gz CRXOQGQDNCETSV-WDEREUQCSA-N 2 1 279.344 -0.695 20 0 CBADMP CN1CC[NH+](CCC(=O)n2cnc(C[NH3+])cc2=N)CC1 ZINC001143236677 814764723 /nfs/dbraw/zinc/76/47/23/814764723.db2.gz PSDVDWYORKIFHX-UHFFFAOYSA-N 2 1 278.360 -0.901 20 0 CBADMP CN(CC(=O)N1CCN(c2[nH+]cccc2N)CC1)C(N)=[NH2+] ZINC001144132311 814773354 /nfs/dbraw/zinc/77/33/54/814773354.db2.gz MLOGZHORWJPUES-UHFFFAOYSA-N 2 1 291.359 -0.862 20 0 CBADMP CN(CC(=O)NC1CC[NH+](CCF)CC1)C(N)=[NH2+] ZINC001144141967 814773557 /nfs/dbraw/zinc/77/35/57/814773557.db2.gz FQQSPLGIEYTCPI-UHFFFAOYSA-N 2 1 259.329 -0.638 20 0 CBADMP CN(CC(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(N)=[NH2+] ZINC001144142448 814773566 /nfs/dbraw/zinc/77/35/66/814773566.db2.gz MKOBKBAWQWFICB-RTCCRHLQSA-N 2 1 267.377 -0.057 20 0 CBADMP CN(CC1C[NH+](C)C1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001146318915 814780268 /nfs/dbraw/zinc/78/02/68/814780268.db2.gz BLPLJBXBGLYGHF-CHWSQXEVSA-N 2 1 269.389 -0.148 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333351 814837534 /nfs/dbraw/zinc/83/75/34/814837534.db2.gz NXZQBJDQSXSADK-GHMZBOCLSA-N 2 1 295.387 -0.190 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001146333042 814837702 /nfs/dbraw/zinc/83/77/02/814837702.db2.gz LVYQFDSGOSFLAD-ZJUUUORDSA-N 2 1 281.360 -0.450 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001146595284 814841798 /nfs/dbraw/zinc/84/17/98/814841798.db2.gz YFEWQFUSQVUCRO-QWRGUYRKSA-N 2 1 272.393 -0.315 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)CC[N@H+](C)CC)nn1 ZINC001146710286 814843388 /nfs/dbraw/zinc/84/33/88/814843388.db2.gz JRDOKELXWNIEQL-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)CC[N@@H+](C)CC)nn1 ZINC001146710286 814843390 /nfs/dbraw/zinc/84/33/90/814843390.db2.gz JRDOKELXWNIEQL-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001146705875 814843709 /nfs/dbraw/zinc/84/37/09/814843709.db2.gz WKQJJSNLIAIHQI-SNVBAGLBSA-N 2 1 283.380 -0.681 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001146705875 814843714 /nfs/dbraw/zinc/84/37/14/814843714.db2.gz WKQJJSNLIAIHQI-SNVBAGLBSA-N 2 1 283.380 -0.681 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)COC ZINC001146705950 814844326 /nfs/dbraw/zinc/84/43/26/814844326.db2.gz ZTPGPXWVGKFKTN-NSHDSACASA-N 2 1 261.366 -0.959 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001146711808 814845191 /nfs/dbraw/zinc/84/51/91/814845191.db2.gz YEWHNAORNRFYFG-JTQLQIEISA-N 2 1 258.366 -0.832 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146719567 814845700 /nfs/dbraw/zinc/84/57/00/814845700.db2.gz PTXFRBWTDIJOGJ-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146719567 814845703 /nfs/dbraw/zinc/84/57/03/814845703.db2.gz PTXFRBWTDIJOGJ-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001146719216 814845808 /nfs/dbraw/zinc/84/58/08/814845808.db2.gz LBKHMKBRWYRSJD-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001147359725 814891280 /nfs/dbraw/zinc/89/12/80/814891280.db2.gz UQCBJRKCLXNKTP-GFCCVEGCSA-N 2 1 284.404 -0.168 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147885630 814922222 /nfs/dbraw/zinc/92/22/22/814922222.db2.gz OBCKKNAHIMJKNF-CYBMUJFWSA-N 2 1 287.404 -0.303 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001147878441 814922843 /nfs/dbraw/zinc/92/28/43/814922843.db2.gz YVYCWCYFSMDHEO-LBPRGKRZSA-N 2 1 279.388 -0.032 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001147885599 814922983 /nfs/dbraw/zinc/92/29/83/814922983.db2.gz NNIWJDMKODKDDN-CYBMUJFWSA-N 2 1 279.388 -0.069 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001147885461 814923150 /nfs/dbraw/zinc/92/31/50/814923150.db2.gz MJLBRLMKCCKLKQ-NEPJUHHUSA-N 2 1 282.388 -0.687 20 0 CBADMP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159907628 815604687 /nfs/dbraw/zinc/60/46/87/815604687.db2.gz BYAZKHGGTJOLFN-ZDUSSCGKSA-N 2 1 296.415 -0.025 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]ccn21)C(N)=O ZINC001159914509 815604709 /nfs/dbraw/zinc/60/47/09/815604709.db2.gz CYEIRFWDCWQFIS-GHMZBOCLSA-N 2 1 293.371 -0.270 20 0 CBADMP COCCN(C(=O)[C@@H]1COC[NH2+]1)C1CC[NH+](C)CC1 ZINC001160439038 815622328 /nfs/dbraw/zinc/62/23/28/815622328.db2.gz GFIBSDBAGPOTJJ-LBPRGKRZSA-N 2 1 271.361 -0.499 20 0 CBADMP COC(=O)CCN(Cc1ccco1)C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160471009 815626313 /nfs/dbraw/zinc/62/63/13/815626313.db2.gz QEEQOYKYLCTSQM-NSHDSACASA-N 2 1 283.328 -0.153 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN(CCc2ccccn2)CC1 ZINC001160483760 815628766 /nfs/dbraw/zinc/62/87/66/815628766.db2.gz WRFMPBBJMFZBHN-AWEZNQCLSA-N 2 1 291.399 -0.556 20 0 CBADMP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCN(C2CCOCC2)CC1 ZINC001160491259 815630190 /nfs/dbraw/zinc/63/01/90/815630190.db2.gz ZPFXSYZQQCUPNS-CYBMUJFWSA-N 2 1 284.404 -0.624 20 0 CBADMP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1COC[NH2+]1 ZINC001160538673 815634631 /nfs/dbraw/zinc/63/46/31/815634631.db2.gz JUHHUWNSVFKMJZ-SCZZXKLOSA-N 2 1 263.301 -0.627 20 0 CBADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160628614 815645597 /nfs/dbraw/zinc/64/55/97/815645597.db2.gz LGXJCPXLCUVCMU-ZDUSSCGKSA-N 4 1 287.452 -0.606 20 0 CBADMP NC[C@H]([NH3+])c1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC001160646046 815650415 /nfs/dbraw/zinc/65/04/15/815650415.db2.gz USCGRIMGIPIGJZ-STQMWFEESA-N 2 1 278.356 -0.555 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160647819 815651389 /nfs/dbraw/zinc/65/13/89/815651389.db2.gz UMQUGVWVTAWRRA-YIZRAAEISA-N 2 1 261.297 -0.835 20 0 CBADMP [NH3+][C@@H]1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C[C@@H]1F ZINC001160647276 815652292 /nfs/dbraw/zinc/65/22/92/815652292.db2.gz DYXFMHTZRVOLJH-WDEREUQCSA-N 3 1 258.341 -0.774 20 0 CBADMP CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160680625 815655445 /nfs/dbraw/zinc/65/54/45/815655445.db2.gz PCTOMGUVKIFSDX-VIFPVBQESA-N 2 1 259.350 -0.147 20 0 CBADMP CN(CCC1OCCO1)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160682118 815655805 /nfs/dbraw/zinc/65/58/05/815655805.db2.gz DHMWEKKLIHYOIS-UHFFFAOYSA-N 2 1 271.361 -0.451 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001160687267 815657821 /nfs/dbraw/zinc/65/78/21/815657821.db2.gz BDCHKRZDZWNZMX-LBPRGKRZSA-N 2 1 265.361 -0.166 20 0 CBADMP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001160694751 815658431 /nfs/dbraw/zinc/65/84/31/815658431.db2.gz DOAJBJCSLKLNNM-ZYHUDNBSSA-N 2 1 265.361 -0.263 20 0 CBADMP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001160694747 815658836 /nfs/dbraw/zinc/65/88/36/815658836.db2.gz DOAJBJCSLKLNNM-JQWIXIFHSA-N 2 1 265.361 -0.263 20 0 CBADMP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001160694745 815659094 /nfs/dbraw/zinc/65/90/94/815659094.db2.gz DOAJBJCSLKLNNM-CMPLNLGQSA-N 2 1 265.361 -0.263 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C[C@H]2C1 ZINC001160703834 815660123 /nfs/dbraw/zinc/66/01/23/815660123.db2.gz FMCLDSGBRLCDBQ-OJROKELRSA-N 3 1 264.373 -0.772 20 0 CBADMP C[N@H+]1C[C@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H](N)C4)C[C@H]2C1 ZINC001160703834 815660127 /nfs/dbraw/zinc/66/01/27/815660127.db2.gz FMCLDSGBRLCDBQ-OJROKELRSA-N 2 1 264.373 -0.772 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H](N)C4)C[C@H]2C1 ZINC001160703834 815660130 /nfs/dbraw/zinc/66/01/30/815660130.db2.gz FMCLDSGBRLCDBQ-OJROKELRSA-N 2 1 264.373 -0.772 20 0 CBADMP 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 815660174 /nfs/dbraw/zinc/66/01/74/815660174.db2.gz CPCZDVAGTUQOKF-PDWCTOEPSA-N 2 1 279.384 -0.227 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@]3(N)CCC[NH2+]C3)C[C@H]2C1 ZINC001160703349 815660293 /nfs/dbraw/zinc/66/02/93/815660293.db2.gz BZUWTYWWVKDPMH-LOWVWBTDSA-N 2 1 252.362 -0.913 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC001160706026 815662453 /nfs/dbraw/zinc/66/24/53/815662453.db2.gz VKIJBPLTFMLCOK-BQBZGAKWSA-N 2 1 255.240 -0.548 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[NH+]2CCC1CC2 ZINC001160725449 815664833 /nfs/dbraw/zinc/66/48/33/815664833.db2.gz AEDYLTNRRNJRDE-NSHDSACASA-N 2 1 269.345 -0.427 20 0 CBADMP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726613 815665844 /nfs/dbraw/zinc/66/58/44/815665844.db2.gz RCAWSRXJFXIZDW-VOJFVSQTSA-N 2 1 273.402 -0.611 20 0 CBADMP CCOC(=O)c1coc2c1CN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001160760826 815668263 /nfs/dbraw/zinc/66/82/63/815668263.db2.gz AVPJSBJYEZPSMU-JTQLQIEISA-N 2 1 281.312 -0.025 20 0 CBADMP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001160819231 815673281 /nfs/dbraw/zinc/67/32/81/815673281.db2.gz ACFZKABAKWVXAO-NAKRPEOUSA-N 2 1 269.345 -0.537 20 0 CBADMP CSc1ncc2c(n1)CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001160940386 815688749 /nfs/dbraw/zinc/68/87/49/815688749.db2.gz CDLWJNMNHIAGSD-VIFPVBQESA-N 2 1 281.385 -0.241 20 0 CBADMP N[C@@H]1C[C@]2(C(=O)N3C[C@H]([NH3+])CC(F)(F)C3)CC[C@H]1[NH2+]2 ZINC001160968661 815693331 /nfs/dbraw/zinc/69/33/31/815693331.db2.gz UITQYTBOJGXASI-CDLYGTGVSA-N 2 1 274.315 -0.597 20 0 CBADMP [NH3+]Cc1ncc(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)s1 ZINC001161008007 815694216 /nfs/dbraw/zinc/69/42/16/815694216.db2.gz MXJDCRLDHPEYNB-JTQLQIEISA-N 2 1 296.396 -0.069 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000273 815694959 /nfs/dbraw/zinc/69/49/59/815694959.db2.gz QQROZGUPYBSEKI-CYBMUJFWSA-N 3 1 296.415 -0.957 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161040482 815702103 /nfs/dbraw/zinc/70/21/03/815702103.db2.gz AMWMVFCGWMZLOR-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161040481 815702219 /nfs/dbraw/zinc/70/22/19/815702219.db2.gz AMWMVFCGWMZLOR-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001161042136 815703300 /nfs/dbraw/zinc/70/33/00/815703300.db2.gz OVRWXODLZYFZIS-ZDUSSCGKSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161043010 815703575 /nfs/dbraw/zinc/70/35/75/815703575.db2.gz WGFVGIOGGAJZHH-VXGBXAGGSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161043007 815704103 /nfs/dbraw/zinc/70/41/03/815704103.db2.gz WGFVGIOGGAJZHH-NEPJUHHUSA-N 2 1 257.378 -0.053 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001161042695 815704118 /nfs/dbraw/zinc/70/41/18/815704118.db2.gz SEGCHPCKOYYNMF-CYBMUJFWSA-N 2 1 287.404 -0.425 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC001161049909 815704232 /nfs/dbraw/zinc/70/42/32/815704232.db2.gz JHLHXCGAKBXPMA-QJPTWQEYSA-N 2 1 255.362 -0.350 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(C)[C@H]1CCCC[C@H]1[NH3+] ZINC001161057585 815706244 /nfs/dbraw/zinc/70/62/44/815706244.db2.gz BIQWNTFWDNDYNT-VWYCJHECSA-N 2 1 271.361 -0.005 20 0 CBADMP CN(C(=O)[C@H]([NH3+])Cc1c[nH]cn1)C1(C)CC[NH2+]CC1 ZINC001161068917 815707376 /nfs/dbraw/zinc/70/73/76/815707376.db2.gz XYJKOJNNKVWNIZ-LLVKDONJSA-N 2 1 265.361 -0.120 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CNC3CC[NH2+]CC3)C[C@@H]21 ZINC001161081242 815708677 /nfs/dbraw/zinc/70/86/77/815708677.db2.gz HYRSRIUNPUSBMU-OCCSQVGLSA-N 2 1 280.416 -0.119 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@]3(N)CCC[NH2+]C3)C[C@@H]21 ZINC001161081134 815708712 /nfs/dbraw/zinc/70/87/12/815708712.db2.gz FSLCARNIYHQSLC-DYEKYZERSA-N 2 1 266.389 -0.380 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@H]21 ZINC001161081145 815708994 /nfs/dbraw/zinc/70/89/94/815708994.db2.gz FWIPDHPDIRJVLP-QWHCGFSZSA-N 2 1 266.389 -0.556 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C[C@@H]21 ZINC001161081446 815709077 /nfs/dbraw/zinc/70/90/77/815709077.db2.gz KHXZYZJDSHXFKM-CXTNEJHOSA-N 2 1 278.400 -0.510 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@@H]21 ZINC001161083193 815711103 /nfs/dbraw/zinc/71/11/03/815711103.db2.gz RCKZHNCCSYYEPG-WOPDTQHZSA-N 3 1 254.378 -0.395 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C[C@H]2C1 ZINC001161174719 815725283 /nfs/dbraw/zinc/72/52/83/815725283.db2.gz DAKOCCCANANCRC-YVECIDJPSA-N 2 1 267.373 -0.633 20 0 CBADMP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COC[NH2+]3)C[C@H]2C1 ZINC001161176465 815726178 /nfs/dbraw/zinc/72/61/78/815726178.db2.gz VEENVWGYTXPZNA-UTUOFQBUSA-N 2 1 253.346 -0.268 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3[NH2+]CC[C@H]3O)C[C@H]2C1 ZINC001161176392 815726440 /nfs/dbraw/zinc/72/64/40/815726440.db2.gz TZUHTJQEJDBNCX-XQHKEYJVSA-N 2 1 267.373 -0.491 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@H](O)C[NH3+])C[C@H]2C1 ZINC001161176448 815726570 /nfs/dbraw/zinc/72/65/70/815726570.db2.gz UYZRSGSQYFWKCE-TUAOUCFPSA-N 2 1 255.362 -0.504 20 0 CBADMP C[C@@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)[C@@H](C)CO1 ZINC001161235625 815732864 /nfs/dbraw/zinc/73/28/64/815732864.db2.gz VOBDKEKPEQQDFE-WDEREUQCSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC(N)=O ZINC001161251349 815733995 /nfs/dbraw/zinc/73/39/95/815733995.db2.gz PRATZUWCPGOSNN-UHFFFAOYSA-N 2 1 258.366 -0.702 20 0 CBADMP CCN(C(=O)[C@]1(C)COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161329540 815741473 /nfs/dbraw/zinc/74/14/73/815741473.db2.gz FHCJKKUJCSTOAA-YPMHNXCESA-N 2 1 255.362 -0.035 20 0 CBADMP CC(C)N(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)[C@H]1CC[NH2+]C1 ZINC001161353737 815747007 /nfs/dbraw/zinc/74/70/07/815747007.db2.gz YPDYNRYLBVTEQC-KBPBESRZSA-N 2 1 297.447 -0.664 20 0 CBADMP C[NH2+]CCC(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377974 815748096 /nfs/dbraw/zinc/74/80/96/815748096.db2.gz JVJBELWBLDYSEM-LBPRGKRZSA-N 3 1 254.378 -0.380 20 0 CBADMP N[C@@H](C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1)C(F)(F)F ZINC001161377560 815748624 /nfs/dbraw/zinc/74/86/24/815748624.db2.gz HPXLRDRQVBNRAR-ZJUUUORDSA-N 2 1 294.321 -0.100 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161390406 815750037 /nfs/dbraw/zinc/75/00/37/815750037.db2.gz XWMBZFNJZGYJJK-STQMWFEESA-N 2 1 283.372 -0.702 20 0 CBADMP N[C@@H]1C[C@]2(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)CC[C@H]1[NH2+]2 ZINC001161412436 815751195 /nfs/dbraw/zinc/75/11/95/815751195.db2.gz KGSFZIPCGGQUNC-NSPKLCQLSA-N 2 1 264.373 -0.596 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC001161412044 815751215 /nfs/dbraw/zinc/75/12/15/815751215.db2.gz FKLXWOSKLZKZHL-KLHWPWHYSA-N 2 1 263.345 -0.525 20 0 CBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423697 815754782 /nfs/dbraw/zinc/75/47/82/815754782.db2.gz KLSMCNFFTLUPRV-GVXVVHGQSA-N 2 1 282.388 -0.608 20 0 CBADMP C[NH+](C)CCN(C(=O)[C@@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161444879 815755890 /nfs/dbraw/zinc/75/58/90/815755890.db2.gz LQVANEWELMJOAS-OLZOCXBDSA-N 3 1 284.404 -0.883 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC[C@](C)(C[NH3+])C1 ZINC001161489355 815759800 /nfs/dbraw/zinc/75/98/00/815759800.db2.gz LRAGITCJKQOXCU-GXFFZTMASA-N 2 1 271.361 -0.146 20 0 CBADMP [NH3+][C@H](C(=O)N1C[C@@H]([NH3+])C2(COC2)C1)c1ccsc1 ZINC001161498550 815763845 /nfs/dbraw/zinc/76/38/45/815763845.db2.gz AZPKQZGBGXEQSC-ZJUUUORDSA-N 2 1 267.354 -0.066 20 0 CBADMP COc1cc2c(cn1)CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001161527009 815767773 /nfs/dbraw/zinc/76/77/73/815767773.db2.gz LSDPLJBIDADXFF-NSHDSACASA-N 2 1 264.329 -0.349 20 0 CBADMP CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001161601332 815774359 /nfs/dbraw/zinc/77/43/59/815774359.db2.gz DMXGFPUODHAFFO-VIFPVBQESA-N 2 1 295.343 -0.885 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001162606804 815837480 /nfs/dbraw/zinc/83/74/80/815837480.db2.gz WKDSJPARGILJMA-UHFFFAOYSA-N 2 1 281.360 -0.624 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162851950 815845710 /nfs/dbraw/zinc/84/57/10/815845710.db2.gz UIWOVIWINQCHRU-JVWICGRDSA-N 2 1 297.399 -0.408 20 0 CBADMP COC(=O)c1c[nH+]ccc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163203317 815864928 /nfs/dbraw/zinc/86/49/28/815864928.db2.gz IFOVETCHIOURRD-NOZJJQNGSA-N 2 1 263.297 -0.167 20 0 CBADMP CN(C)c1nc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc[nH+]1 ZINC001163234718 815866744 /nfs/dbraw/zinc/86/67/44/815866744.db2.gz BLVLTLJPPJDMPL-QPUJVOFHSA-N 2 1 262.317 -0.467 20 0 CBADMP Cc1[nH+]ccn1-c1ccc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)nn1 ZINC001163243700 815872408 /nfs/dbraw/zinc/87/24/08/815872408.db2.gz WCROYDDDOAJSJM-YGRLFVJLSA-N 2 1 299.338 -0.039 20 0 CBADMP C[NH2+]CCN(C)c1cc[nH+]c(N2CCOCC2)n1 ZINC001163720903 815897228 /nfs/dbraw/zinc/89/72/28/815897228.db2.gz NXTPJVHNCPWUMI-UHFFFAOYSA-N 2 1 251.334 -0.031 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001292584182 816469121 /nfs/dbraw/zinc/46/91/21/816469121.db2.gz LFDZVUJQSVFRGY-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001292584182 816469128 /nfs/dbraw/zinc/46/91/28/816469128.db2.gz LFDZVUJQSVFRGY-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001292584182 816469134 /nfs/dbraw/zinc/46/91/34/816469134.db2.gz LFDZVUJQSVFRGY-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@H](C(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001293333225 816516839 /nfs/dbraw/zinc/51/68/39/816516839.db2.gz KZAURRNKPLJCSU-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CN(CCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CC[NH+](C)C ZINC001294232858 816536126 /nfs/dbraw/zinc/53/61/26/816536126.db2.gz YHQGQHCKPOSMOS-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190898536 823858213 /nfs/dbraw/zinc/85/82/13/823858213.db2.gz DCORJQVEYPZWPP-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)CC(=O)N(C)C)C1 ZINC001316850257 816892462 /nfs/dbraw/zinc/89/24/62/816892462.db2.gz CLGDNZUNACURIP-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@H+](C)CC(=O)N(C)C)C1 ZINC001316850257 816892470 /nfs/dbraw/zinc/89/24/70/816892470.db2.gz CLGDNZUNACURIP-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)CC(=O)N(C)C)C1 ZINC001316850257 816892477 /nfs/dbraw/zinc/89/24/77/816892477.db2.gz CLGDNZUNACURIP-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP C[N@@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)CC(N)=O ZINC001316859016 816894548 /nfs/dbraw/zinc/89/45/48/816894548.db2.gz JQDUILCIEZCAHZ-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP C[NH+](CCCNC(=O)C[C@H]1CC[N@H+](C)C1)CC(N)=O ZINC001316859016 816894557 /nfs/dbraw/zinc/89/45/57/816894557.db2.gz JQDUILCIEZCAHZ-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP C[NH+](CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)CC(N)=O ZINC001316859016 816894566 /nfs/dbraw/zinc/89/45/66/816894566.db2.gz JQDUILCIEZCAHZ-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)N1CCC1 ZINC001316865740 816894937 /nfs/dbraw/zinc/89/49/37/816894937.db2.gz RJWKMKSUADJNPZ-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCOCCO)C1 ZINC001316939780 816904030 /nfs/dbraw/zinc/90/40/30/816904030.db2.gz ARXSKVTWVQCJMO-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCOCCO)C1 ZINC001316939780 816904037 /nfs/dbraw/zinc/90/40/37/816904037.db2.gz ARXSKVTWVQCJMO-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC001316939780 816904047 /nfs/dbraw/zinc/90/40/47/816904047.db2.gz ARXSKVTWVQCJMO-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCOCCO)C1 ZINC001316992634 816916216 /nfs/dbraw/zinc/91/62/16/816916216.db2.gz GNXVSCZNPHWWSO-ZDUSSCGKSA-N 2 1 285.388 -0.718 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001317035300 816922864 /nfs/dbraw/zinc/92/28/64/816922864.db2.gz SSSIAXZBPPNJIP-NWDGAFQWSA-N 2 1 255.362 -0.585 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001317058489 816925986 /nfs/dbraw/zinc/92/59/86/816925986.db2.gz DCMZOGHUHWXGFU-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C2)CC[N@H+]1C ZINC001317109790 816933205 /nfs/dbraw/zinc/93/32/05/816933205.db2.gz PKYCSRHZGAMNBK-FVCCEPFGSA-N 2 1 269.389 -0.054 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCO ZINC001317246672 816949647 /nfs/dbraw/zinc/94/96/47/816949647.db2.gz WYMJZVPIVIFUBY-VXGBXAGGSA-N 2 1 257.378 -0.053 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001317253897 816950563 /nfs/dbraw/zinc/95/05/63/816950563.db2.gz SDCDLTGWJBKZQM-WPRPVWTQSA-N 2 1 267.333 -0.840 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]CCOC)C1 ZINC001317286677 816958667 /nfs/dbraw/zinc/95/86/67/816958667.db2.gz PDXASZNUDKZMQA-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]CCOC)C1 ZINC001317286677 816958673 /nfs/dbraw/zinc/95/86/73/816958673.db2.gz PDXASZNUDKZMQA-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]CCOC)C1 ZINC001317286680 816958930 /nfs/dbraw/zinc/95/89/30/816958930.db2.gz PDXASZNUDKZMQA-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]CCOC)C1 ZINC001317286680 816958936 /nfs/dbraw/zinc/95/89/36/816958936.db2.gz PDXASZNUDKZMQA-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]C[C@@H](C)O ZINC001317291354 816960764 /nfs/dbraw/zinc/96/07/64/816960764.db2.gz SZNBKOADILUTCK-NXEZZACHSA-N 2 1 254.334 -0.333 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001317511451 817001166 /nfs/dbraw/zinc/00/11/66/817001166.db2.gz ASXKXQBYCJCJFN-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CCC[N@@H+]2CCO)C1 ZINC001317511451 817001177 /nfs/dbraw/zinc/00/11/77/817001177.db2.gz ASXKXQBYCJCJFN-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CCC[N@H+]2CCO)C1 ZINC001317511451 817001182 /nfs/dbraw/zinc/00/11/82/817001182.db2.gz ASXKXQBYCJCJFN-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+](CCCO)C2CC2)C1 ZINC001317562371 817009240 /nfs/dbraw/zinc/00/92/40/817009240.db2.gz ZXLPNORLZCLKPG-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC[N@H+](CCCO)C2CC2)C1 ZINC001317562371 817009247 /nfs/dbraw/zinc/00/92/47/817009247.db2.gz ZXLPNORLZCLKPG-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC[N@@H+](CCCO)C2CC2)C1 ZINC001317562371 817009255 /nfs/dbraw/zinc/00/92/55/817009255.db2.gz ZXLPNORLZCLKPG-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CCn1ncnc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001317574431 817016826 /nfs/dbraw/zinc/01/68/26/817016826.db2.gz WWHMATRWTKAJQW-GFCCVEGCSA-N 2 1 294.403 -0.060 20 0 CBADMP CCn1ncnc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001317574431 817016836 /nfs/dbraw/zinc/01/68/36/817016836.db2.gz WWHMATRWTKAJQW-GFCCVEGCSA-N 2 1 294.403 -0.060 20 0 CBADMP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001317620326 817030535 /nfs/dbraw/zinc/03/05/35/817030535.db2.gz POEHBBFKJJEPCX-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCn1nncc1C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317661581 817042770 /nfs/dbraw/zinc/04/27/70/817042770.db2.gz OOHSAEXYAAFDEB-LBPRGKRZSA-N 2 1 294.403 -0.202 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cnn(C)n1 ZINC001317664114 817042887 /nfs/dbraw/zinc/04/28/87/817042887.db2.gz JKSXKCOFJOYSIF-UHFFFAOYSA-N 2 1 282.392 -0.297 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1cnn(C)n1 ZINC001317664114 817042895 /nfs/dbraw/zinc/04/28/95/817042895.db2.gz JKSXKCOFJOYSIF-UHFFFAOYSA-N 2 1 282.392 -0.297 20 0 CBADMP C[C@@H](O)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318168798 817081937 /nfs/dbraw/zinc/08/19/37/817081937.db2.gz IVSKVMLPAKIFRN-NEPJUHHUSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2C[NH+](CCO)C2)C1 ZINC001318154354 817082918 /nfs/dbraw/zinc/08/29/18/817082918.db2.gz GUWQZKSVPZIRQJ-LLVKDONJSA-N 2 1 255.362 -0.632 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCOCCO)C2)C1 ZINC001318275566 817093376 /nfs/dbraw/zinc/09/33/76/817093376.db2.gz BDVCOFBYKBBPKY-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCOCCO)C2)C1 ZINC001318275566 817093382 /nfs/dbraw/zinc/09/33/82/817093382.db2.gz BDVCOFBYKBBPKY-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)C1 ZINC001318275566 817093385 /nfs/dbraw/zinc/09/33/85/817093385.db2.gz BDVCOFBYKBBPKY-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCO)C1 ZINC001318365983 817103768 /nfs/dbraw/zinc/10/37/68/817103768.db2.gz PMMDKSPNCYYUBA-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001318365983 817103772 /nfs/dbraw/zinc/10/37/72/817103772.db2.gz PMMDKSPNCYYUBA-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001318365983 817103778 /nfs/dbraw/zinc/10/37/78/817103778.db2.gz PMMDKSPNCYYUBA-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CCO)C1)[NH+](C)C ZINC001318443117 817109802 /nfs/dbraw/zinc/10/98/02/817109802.db2.gz RNZABSXHCOJKTL-RYUDHWBXSA-N 2 1 257.378 -0.148 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001318507355 817117214 /nfs/dbraw/zinc/11/72/14/817117214.db2.gz QNCUUILDYVTJML-UWVGGRQHSA-N 2 1 256.350 -0.950 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)C[NH2+]CCO ZINC001319217695 817177637 /nfs/dbraw/zinc/17/76/37/817177637.db2.gz NJKREJCPCIDIMR-JTQLQIEISA-N 2 1 254.334 -0.474 20 0 CBADMP C[NH+]1CCN(CC(=O)NCCC[NH+]2CCC(O)CC2)CC1 ZINC001319332640 817193534 /nfs/dbraw/zinc/19/35/34/817193534.db2.gz FDOHHZLQNBUIRI-UHFFFAOYSA-N 2 1 298.431 -0.803 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCCO)C1 ZINC001319589478 817222369 /nfs/dbraw/zinc/22/23/69/817222369.db2.gz JUCAEEFCTUVXGR-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCCO)C1 ZINC001319589478 817222374 /nfs/dbraw/zinc/22/23/74/817222374.db2.gz JUCAEEFCTUVXGR-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001320204577 817291343 /nfs/dbraw/zinc/29/13/43/817291343.db2.gz YRJXZUSJWOKARL-STQMWFEESA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001320204577 817291346 /nfs/dbraw/zinc/29/13/46/817291346.db2.gz YRJXZUSJWOKARL-STQMWFEESA-N 2 1 287.404 -0.570 20 0 CBADMP CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001320218730 817296376 /nfs/dbraw/zinc/29/63/76/817296376.db2.gz UKTGAGZDHHZJLA-RYUDHWBXSA-N 2 1 257.378 -0.054 20 0 CBADMP COCCC[NH2+]C[C@@H](O)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001320300460 817318647 /nfs/dbraw/zinc/31/86/47/817318647.db2.gz RVJDRRAYKDTHFE-HIFRSBDPSA-N 2 1 299.415 -0.425 20 0 CBADMP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC001321119711 817445060 /nfs/dbraw/zinc/44/50/60/817445060.db2.gz BTRCRANVUDNQGC-KBIXYVOKSA-N 2 1 282.388 -0.394 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001321248305 817468675 /nfs/dbraw/zinc/46/86/75/817468675.db2.gz AUVNNCMFEVTWFW-AIMRDXAKSA-N 2 1 296.415 -0.275 20 0 CBADMP CC[C@H]([NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001321401057 817495861 /nfs/dbraw/zinc/49/58/61/817495861.db2.gz FDJAHWRRADJDAV-RXNFCKPNSA-N 2 1 293.371 -0.283 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H](C)C(N)=O ZINC001321418828 817496584 /nfs/dbraw/zinc/49/65/84/817496584.db2.gz JVEWGQKLGVUQOS-NTQVKLLNSA-N 2 1 296.415 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[N@H+](CCO)CC1 ZINC001197922220 824207981 /nfs/dbraw/zinc/20/79/81/824207981.db2.gz NPNDMJROKIVWJM-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[N@@H+](CCO)CC1 ZINC001197922220 824207987 /nfs/dbraw/zinc/20/79/87/824207987.db2.gz NPNDMJROKIVWJM-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP CC[NH+](CC)C[C@H](O)CNCCC[N@@H+](C)CCO ZINC001253217192 825906763 /nfs/dbraw/zinc/90/67/63/825906763.db2.gz UWDLPBVUUUOYJD-CYBMUJFWSA-N 2 1 261.410 -0.407 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC2(C[NH2+]CCO)CC2)C1 ZINC001163940528 819872457 /nfs/dbraw/zinc/87/24/57/819872457.db2.gz NNYGFBVOWIRHEQ-LBPRGKRZSA-N 2 1 285.388 -0.815 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC2(C[NH2+]CCO)CC2)C1 ZINC001163940528 819872463 /nfs/dbraw/zinc/87/24/63/819872463.db2.gz NNYGFBVOWIRHEQ-LBPRGKRZSA-N 2 1 285.388 -0.815 20 0 CBADMP C[NH+]1CCN(c2ncc(NOCC[NH3+])cn2)CC1 ZINC001164429207 819912866 /nfs/dbraw/zinc/91/28/66/819912866.db2.gz LQGSHANSFCLVHQ-UHFFFAOYSA-N 2 1 252.322 -0.469 20 0 CBADMP NC(=O)[C@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)CC[NH2+]1 ZINC001165071211 819934547 /nfs/dbraw/zinc/93/45/47/819934547.db2.gz FRHMBWATFJYUBJ-CYBMUJFWSA-N 2 1 289.383 -0.059 20 0 CBADMP C[NH+]1CCN(c2nccc(N3C[C@@H]([NH3+])[C@@H](F)C3)n2)CC1 ZINC001165118260 819940344 /nfs/dbraw/zinc/94/03/44/819940344.db2.gz RURLFHOUOIDGQS-WDEREUQCSA-N 2 1 280.351 -0.286 20 0 CBADMP CO[C@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)C[C@H]1[NH3+] ZINC001165204392 819943698 /nfs/dbraw/zinc/94/36/98/819943698.db2.gz HOZRMEBJDRCYIV-NEPJUHHUSA-N 2 1 292.387 -0.609 20 0 CBADMP CCN(C)c1cc[nH+]c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)n1 ZINC001165281106 819946387 /nfs/dbraw/zinc/94/63/87/819946387.db2.gz CQNXPUICSLFPSY-RISCZKNCSA-N 2 1 277.372 -0.049 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCC[NH2+]CCO)CC2 ZINC001165272124 819946513 /nfs/dbraw/zinc/94/65/13/819946513.db2.gz QWJWDGDQFZGCNO-LBPRGKRZSA-N 2 1 280.372 -0.158 20 0 CBADMP CN(C[C@@H](O)CO)c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001165534314 819973050 /nfs/dbraw/zinc/97/30/50/819973050.db2.gz CUNOJCYJLXSOQB-LLVKDONJSA-N 2 1 281.360 -0.807 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1nncn1C ZINC001166634541 820008296 /nfs/dbraw/zinc/00/82/96/820008296.db2.gz VMYSYVGXQXNRFT-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001166627138 820008390 /nfs/dbraw/zinc/00/83/90/820008390.db2.gz QUCWUIWDEGIGNQ-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001166633613 820009066 /nfs/dbraw/zinc/00/90/66/820009066.db2.gz IRIROAUXKJOVBP-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166634873 820009104 /nfs/dbraw/zinc/00/91/04/820009104.db2.gz WVUXBQVPZSDKJP-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001166633189 820010143 /nfs/dbraw/zinc/01/01/43/820010143.db2.gz BOGVMNSKWLCXAV-LLVKDONJSA-N 2 1 295.391 -0.710 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC(N)=O ZINC001166634152 820010850 /nfs/dbraw/zinc/01/08/50/820010850.db2.gz PPZPZHBLKCSDGQ-SNVBAGLBSA-N 2 1 256.350 -0.948 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2cnnn2C)C1 ZINC001166667471 820013367 /nfs/dbraw/zinc/01/33/67/820013367.db2.gz BRQDTGUDKZHSQV-GFCCVEGCSA-N 2 1 294.403 -0.247 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166678134 820013633 /nfs/dbraw/zinc/01/36/33/820013633.db2.gz SWAWYXZQWSGAAD-OLZOCXBDSA-N 2 1 287.404 -0.569 20 0 CBADMP C[C@@H](O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166676644 820013713 /nfs/dbraw/zinc/01/37/13/820013713.db2.gz AGQGDUNJHJHZNT-VXGBXAGGSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CCn2cncn2)C1 ZINC001166678109 820013902 /nfs/dbraw/zinc/01/39/02/820013902.db2.gz SBVVORDMJUSAIH-CYBMUJFWSA-N 2 1 294.403 -0.284 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2ncnn2C)C1 ZINC001166667677 820014245 /nfs/dbraw/zinc/01/42/45/820014245.db2.gz GSEKXBGFXSVZKP-GFCCVEGCSA-N 2 1 294.403 -0.247 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001166693487 820015634 /nfs/dbraw/zinc/01/56/34/820015634.db2.gz SPLMQEBUWJCRSZ-STQMWFEESA-N 2 1 294.403 -0.428 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCCO ZINC001166691823 820015832 /nfs/dbraw/zinc/01/58/32/820015832.db2.gz NZKQTQJOBZRHGU-NEPJUHHUSA-N 2 1 257.378 -0.338 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166695067 820015894 /nfs/dbraw/zinc/01/58/94/820015894.db2.gz ZSTVLLVDXNGHQL-NWDGAFQWSA-N 2 1 257.378 -0.074 20 0 CBADMP Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)[nH]1 ZINC001166692444 820016324 /nfs/dbraw/zinc/01/63/24/820016324.db2.gz PTSNWFMIACDFCT-CMPLNLGQSA-N 2 1 294.403 -0.093 20 0 CBADMP Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)[nH]1 ZINC001166692447 820017549 /nfs/dbraw/zinc/01/75/49/820017549.db2.gz PTSNWFMIACDFCT-ZYHUDNBSSA-N 2 1 294.403 -0.093 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCCO ZINC001166691824 820017598 /nfs/dbraw/zinc/01/75/98/820017598.db2.gz NZKQTQJOBZRHGU-NWDGAFQWSA-N 2 1 257.378 -0.338 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1ncnn1C ZINC001166708441 820018398 /nfs/dbraw/zinc/01/83/98/820018398.db2.gz QPSPHJJGKGGXMY-NEPJUHHUSA-N 2 1 294.403 -0.391 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001166709431 820018612 /nfs/dbraw/zinc/01/86/12/820018612.db2.gz ZSDFDRXFKIMRLY-GHMZBOCLSA-N 2 1 295.391 -0.996 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1ncnn1C ZINC001166708442 820019633 /nfs/dbraw/zinc/01/96/33/820019633.db2.gz QPSPHJJGKGGXMY-NWDGAFQWSA-N 2 1 294.403 -0.391 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001166708642 820019777 /nfs/dbraw/zinc/01/97/77/820019777.db2.gz VLMIJRITPMPCQC-YPMHNXCESA-N 2 1 294.403 -0.391 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001167232428 820075348 /nfs/dbraw/zinc/07/53/48/820075348.db2.gz CEHRPRNEUPSRMM-GFCCVEGCSA-N 2 1 296.415 -0.310 20 0 CBADMP CN1C[C@H](Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)CCC1=O ZINC001167234527 820076137 /nfs/dbraw/zinc/07/61/37/820076137.db2.gz CFVNOTNYJYJGJP-LLVKDONJSA-N 2 1 290.371 -0.081 20 0 CBADMP C[N@@H+]1CCc2ncnc(-n3cnc(C[NH3+])cc3=N)c2C1 ZINC001167355191 820082753 /nfs/dbraw/zinc/08/27/53/820082753.db2.gz VJDSJVBYCXLEST-UHFFFAOYSA-N 2 1 271.328 -0.412 20 0 CBADMP C[N@H+]1CCc2ncnc(-n3cnc(C[NH3+])cc3=N)c2C1 ZINC001167355191 820082758 /nfs/dbraw/zinc/08/27/58/820082758.db2.gz VJDSJVBYCXLEST-UHFFFAOYSA-N 2 1 271.328 -0.412 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168023147 820138470 /nfs/dbraw/zinc/13/84/70/820138470.db2.gz UTAOOQKJXILBQD-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]CCC[NH+](CCO)CCO)CCO1 ZINC001168072431 820144026 /nfs/dbraw/zinc/14/40/26/820144026.db2.gz QMOHZZLHCUMXEJ-STQMWFEESA-N 2 1 260.378 -0.180 20 0 CBADMP C[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001168139274 820145836 /nfs/dbraw/zinc/14/58/36/820145836.db2.gz ZLFJERQWSXLASQ-NEPJUHHUSA-N 2 1 296.415 -0.312 20 0 CBADMP C[NH+]1CCN(c2ncc(-n3cc(C[NH3+])cn3)cn2)CC1 ZINC001168261321 820154943 /nfs/dbraw/zinc/15/49/43/820154943.db2.gz CCVYGXWYLRDFSW-UHFFFAOYSA-N 2 1 273.344 -0.127 20 0 CBADMP [NH3+]Cc1ncn(-c2ccc([C@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)n1 ZINC001168754470 820174547 /nfs/dbraw/zinc/17/45/47/820174547.db2.gz SOQDLQMXCHQTMN-GFCCVEGCSA-N 2 1 298.350 -0.123 20 0 CBADMP Cc1nc([C@H]2CCC[NH2+]C2)cc(-n2[nH]c(=O)nc2C[NH3+])n1 ZINC001168756947 820179222 /nfs/dbraw/zinc/17/92/22/820179222.db2.gz YXNPCJCYKLTNMV-VIFPVBQESA-N 2 1 289.343 -0.003 20 0 CBADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001169225421 820214130 /nfs/dbraw/zinc/21/41/30/820214130.db2.gz VSXZVTZPMLDMHN-JHEVNIALSA-N 2 1 258.362 -0.837 20 0 CBADMP COC(=O)[C@@H]([NH3+])Cc1ccc(-n2nncc2C[NH3+])cc1 ZINC001169310547 820226381 /nfs/dbraw/zinc/22/63/81/820226381.db2.gz GSMXEAAGWIPGRT-LBPRGKRZSA-N 2 1 275.312 -0.231 20 0 CBADMP C[NH+]1CCN(c2ncc(-n3nncc3C[NH3+])cn2)CC1 ZINC001169309392 820226847 /nfs/dbraw/zinc/22/68/47/820226847.db2.gz DAGKRNRLUKOAQW-UHFFFAOYSA-N 2 1 274.332 -0.732 20 0 CBADMP CC(=O)N1CCC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001169580860 820258136 /nfs/dbraw/zinc/25/81/36/820258136.db2.gz ZILYZBFUABPIEZ-AWEZNQCLSA-N 2 1 296.415 -0.249 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170211929 820279878 /nfs/dbraw/zinc/27/98/78/820279878.db2.gz RSGOGGPTNOXKOU-UHFFFAOYSA-N 2 1 272.393 -0.440 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]C[C@H](O)COC ZINC001170211493 820279896 /nfs/dbraw/zinc/27/98/96/820279896.db2.gz NVPNAJGBTLHTEB-LBPRGKRZSA-N 2 1 275.393 -0.569 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001170222537 820282913 /nfs/dbraw/zinc/28/29/13/820282913.db2.gz MMUQQEHXCZPIEF-LBPRGKRZSA-N 2 1 286.420 -0.099 20 0 CBADMP [NH3+]C1CCN(c2nc(N[C@@H]3C[NH2+]C[C@@H]3CO)cc[nH+]2)CC1 ZINC001170779887 820322558 /nfs/dbraw/zinc/32/25/58/820322558.db2.gz YZRKSTYMLUKVOT-ZYHUDNBSSA-N 3 1 292.387 -0.604 20 0 CBADMP CS(=O)(=O)c1ccnc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170897999 820332510 /nfs/dbraw/zinc/33/25/10/820332510.db2.gz KSAAGKCBGGDEKM-ZETCQYMHSA-N 2 1 259.335 -0.684 20 0 CBADMP N[C@H](CCC[NH3+])Nc1ccnc(N2CC[NH2+]CC2)n1 ZINC001170894104 820333846 /nfs/dbraw/zinc/33/38/46/820333846.db2.gz GZDWHBAREGQZMF-JTQLQIEISA-N 2 1 265.365 -0.678 20 0 CBADMP N[C@@H](CCC[NH3+])Nc1cccnc1OC1C[NH2+]C1 ZINC001170903357 820334829 /nfs/dbraw/zinc/33/48/29/820334829.db2.gz JOAPPVPYTQRZKH-LLVKDONJSA-N 2 1 251.334 -0.132 20 0 CBADMP Cn1nncc1C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171216365 820350726 /nfs/dbraw/zinc/35/07/26/820350726.db2.gz HFSCLEJTCJDAQW-LBPRGKRZSA-N 2 1 294.403 -0.247 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171227068 820351395 /nfs/dbraw/zinc/35/13/95/820351395.db2.gz MMRWUIFGBWZNDY-OLZOCXBDSA-N 2 1 287.404 -0.569 20 0 CBADMP Cn1ncc(C[NH2+]CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001171215850 820352132 /nfs/dbraw/zinc/35/21/32/820352132.db2.gz DEMZSZLHCKVVHW-LBPRGKRZSA-N 2 1 294.403 -0.247 20 0 CBADMP CN(C)C(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171218773 820352544 /nfs/dbraw/zinc/35/25/44/820352544.db2.gz SYMUHMVBUGDPFM-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@@H](O)C[NH3+])CC1=O ZINC001171679316 820368510 /nfs/dbraw/zinc/36/85/10/820368510.db2.gz KCYFEOLJADSDPP-BDAKNGLRSA-N 2 1 273.333 -0.568 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001171762996 820368920 /nfs/dbraw/zinc/36/89/20/820368920.db2.gz PMLADUVWOZVMFB-SNVBAGLBSA-N 2 1 258.366 -0.702 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001171770423 820369225 /nfs/dbraw/zinc/36/92/25/820369225.db2.gz QQWYYUOEHOCPRW-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001171724958 820370408 /nfs/dbraw/zinc/37/04/08/820370408.db2.gz AIXGQOLWGXJDDD-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001171762796 820370818 /nfs/dbraw/zinc/37/08/18/820370818.db2.gz LHLNFIGAFLUUBJ-NSHDSACASA-N 2 1 298.387 -0.771 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001171731710 820370949 /nfs/dbraw/zinc/37/09/49/820370949.db2.gz MMMSWVIZTNJQND-LBPRGKRZSA-N 2 1 286.420 -0.051 20 0 CBADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CC(N)=O)C(N)=O)C2 ZINC001172110112 820382067 /nfs/dbraw/zinc/38/20/67/820382067.db2.gz KPMGSZJYDFGIGO-VLEAKVRGSA-N 2 1 268.361 -0.679 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CC(N)=O)C(N)=O)C2 ZINC001172110112 820382078 /nfs/dbraw/zinc/38/20/78/820382078.db2.gz KPMGSZJYDFGIGO-VLEAKVRGSA-N 2 1 268.361 -0.679 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1C[C@@H]2C=C[C@H](C1)O2 ZINC001172231149 820391554 /nfs/dbraw/zinc/39/15/54/820391554.db2.gz RGJHHGBGHFUQPM-YATPEIPISA-N 2 1 296.371 -0.133 20 0 CBADMP COCCC[NH+]1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001172244281 820392691 /nfs/dbraw/zinc/39/26/91/820392691.db2.gz ALAUOYMLQKOMOA-LBPRGKRZSA-N 2 1 283.372 -0.118 20 0 CBADMP CC[N@H+]1CC[C@H](N2CCN(C)C[C@H]2C(=O)OC)C1 ZINC001173369949 820403301 /nfs/dbraw/zinc/40/33/01/820403301.db2.gz BXQUCTJZJARYIS-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@@H+]1CC[C@H](N2CC[NH+](C)C[C@H]2C(=O)OC)C1 ZINC001173369949 820403302 /nfs/dbraw/zinc/40/33/02/820403302.db2.gz BXQUCTJZJARYIS-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+]1CC[C@H](N2CC[NH+](C)C[C@H]2C(=O)OC)C1 ZINC001173369949 820403304 /nfs/dbraw/zinc/40/33/04/820403304.db2.gz BXQUCTJZJARYIS-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC[C@H](N2CC[N@H+](C)C[C@H]2C(=O)OC)C1 ZINC001173369949 820403305 /nfs/dbraw/zinc/40/33/05/820403305.db2.gz BXQUCTJZJARYIS-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC[C@H](N2CC[N@@H+](C)C[C@H]2C(=O)OC)C1 ZINC001173369949 820403307 /nfs/dbraw/zinc/40/33/07/820403307.db2.gz BXQUCTJZJARYIS-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001176072350 820437565 /nfs/dbraw/zinc/43/75/65/820437565.db2.gz QHUUTZZJJQCSNC-LLVKDONJSA-N 2 1 291.417 -0.921 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001176058439 820437601 /nfs/dbraw/zinc/43/76/01/820437601.db2.gz XJWPWPMWRPGXSA-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CN1CCC[C@@H]([NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001176057817 820437750 /nfs/dbraw/zinc/43/77/50/820437750.db2.gz STUDFKMERNVMCM-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCn2cccn2)C1 ZINC001176058440 820437846 /nfs/dbraw/zinc/43/78/46/820437846.db2.gz XKKCRHCGCFIHQY-CYBMUJFWSA-N 2 1 279.388 -0.069 20 0 CBADMP CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176071519 820437991 /nfs/dbraw/zinc/43/79/91/820437991.db2.gz FNCKGIGUDUWNCS-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001176072437 820438653 /nfs/dbraw/zinc/43/86/53/820438653.db2.gz UBLRSVREXAMRET-LLVKDONJSA-N 2 1 281.360 -0.074 20 0 CBADMP Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001176072437 820438658 /nfs/dbraw/zinc/43/86/58/820438658.db2.gz UBLRSVREXAMRET-LLVKDONJSA-N 2 1 281.360 -0.074 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CCOCCO)C1 ZINC001176058606 820438683 /nfs/dbraw/zinc/43/86/83/820438683.db2.gz YYCDQGZDCYTPTA-LBPRGKRZSA-N 2 1 273.377 -0.957 20 0 CBADMP CCn1ncc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001176071612 820438741 /nfs/dbraw/zinc/43/87/41/820438741.db2.gz GVVIGHDJVHGVGK-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001176071802 820438793 /nfs/dbraw/zinc/43/87/93/820438793.db2.gz HYYFKYCGVMANLJ-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072312 820439025 /nfs/dbraw/zinc/43/90/25/820439025.db2.gz PEQCQQAFYNFDAC-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001176980363 820484031 /nfs/dbraw/zinc/48/40/31/820484031.db2.gz DFQZFQPUNDIANA-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001176971709 820485113 /nfs/dbraw/zinc/48/51/13/820485113.db2.gz FYQHYBCYHVISPM-JTQLQIEISA-N 2 1 258.366 -0.704 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001176974976 820485169 /nfs/dbraw/zinc/48/51/69/820485169.db2.gz FMTHNUHIYQBHFI-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1nncn1C ZINC001176980583 820485278 /nfs/dbraw/zinc/48/52/78/820485278.db2.gz LEGXLMJAOUXWLW-UHFFFAOYSA-N 2 1 282.392 -0.249 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176975133 820485390 /nfs/dbraw/zinc/48/53/90/820485390.db2.gz KEPVVTAVNWGAPE-LLVKDONJSA-N 2 1 272.393 -0.443 20 0 CBADMP COCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177087270 820492041 /nfs/dbraw/zinc/49/20/41/820492041.db2.gz DFZKYSCECXXKEC-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177087270 820492043 /nfs/dbraw/zinc/49/20/43/820492043.db2.gz DFZKYSCECXXKEC-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP C[N@H+](CC(=O)NCCC[NH2+]CC(N)=O)Cc1ccccc1 ZINC001177344854 820504677 /nfs/dbraw/zinc/50/46/77/820504677.db2.gz YVKSFXSKMJCASZ-UHFFFAOYSA-N 2 1 292.383 -0.300 20 0 CBADMP C[N@@H+](CC(=O)NCCC[NH2+]CC(N)=O)Cc1ccccc1 ZINC001177344854 820504680 /nfs/dbraw/zinc/50/46/80/820504680.db2.gz YVKSFXSKMJCASZ-UHFFFAOYSA-N 2 1 292.383 -0.300 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001178356805 820577616 /nfs/dbraw/zinc/57/76/16/820577616.db2.gz RWTZSPDLVOVPJE-RWMBFGLXSA-N 2 1 296.415 -0.252 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178360844 820578630 /nfs/dbraw/zinc/57/86/30/820578630.db2.gz RFPNNGNPHIHYSV-XDQVBPFNSA-N 2 1 299.415 -0.333 20 0 CBADMP C[N@@H+]1CCCC[C@@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001178697972 820596894 /nfs/dbraw/zinc/59/68/94/820596894.db2.gz RYNZLRCZBYZWLS-SNVBAGLBSA-N 3 1 255.366 -0.068 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001178697972 820596902 /nfs/dbraw/zinc/59/69/02/820596902.db2.gz RYNZLRCZBYZWLS-SNVBAGLBSA-N 3 1 255.366 -0.068 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H]1C ZINC001178852848 820604957 /nfs/dbraw/zinc/60/49/57/820604957.db2.gz APZMGCPDKUIYJB-JQWIXIFHSA-N 2 1 293.371 -0.333 20 0 CBADMP C[NH+]1CCN(CC(=O)N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001178951602 820608703 /nfs/dbraw/zinc/60/87/03/820608703.db2.gz BVFNJPUSHRHWCQ-ZIAGYGMSSA-N 2 1 280.416 -0.214 20 0 CBADMP C[NH+]1CCN(CC(=O)N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001178951602 820608705 /nfs/dbraw/zinc/60/87/05/820608705.db2.gz BVFNJPUSHRHWCQ-ZIAGYGMSSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1C[C@H]2CN(C(=O)CN3CC[NH+](C)CC3)C[C@H]2C1 ZINC001178949534 820608842 /nfs/dbraw/zinc/60/88/42/820608842.db2.gz CSOXRFPWLFFXNX-BETUJISGSA-N 2 1 266.389 -0.746 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)CN3CC[NH+](C)CC3)C[C@H]2C1 ZINC001178949534 820608849 /nfs/dbraw/zinc/60/88/49/820608849.db2.gz CSOXRFPWLFFXNX-BETUJISGSA-N 2 1 266.389 -0.746 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001179008761 820614022 /nfs/dbraw/zinc/61/40/22/820614022.db2.gz RGYCSCGGVZHXON-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP CC(C)[C@H](C(=O)N1CC([NH2+]C2COC2)C1)[NH+](C)C ZINC001179458293 820630057 /nfs/dbraw/zinc/63/00/57/820630057.db2.gz QAJDHIVRYWMQGR-GFCCVEGCSA-N 2 1 255.362 -0.228 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001179987187 820647543 /nfs/dbraw/zinc/64/75/43/820647543.db2.gz OIILRSMXTALDLY-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC23CC[NH+](CC2)CC3)C1 ZINC001180763074 820724978 /nfs/dbraw/zinc/72/49/78/820724978.db2.gz HINKCYXMOLKADN-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC23CC[NH+](CC2)CC3)C1 ZINC001180763074 820724982 /nfs/dbraw/zinc/72/49/82/820724982.db2.gz HINKCYXMOLKADN-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181653330 820806237 /nfs/dbraw/zinc/80/62/37/820806237.db2.gz XXIGNSHLNHUDEG-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181653331 820806603 /nfs/dbraw/zinc/80/66/03/820806603.db2.gz XXIGNSHLNHUDEG-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181651291 820807204 /nfs/dbraw/zinc/80/72/04/820807204.db2.gz AKJASYLYCNUSGG-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181651344 820807478 /nfs/dbraw/zinc/80/74/78/820807478.db2.gz BFHIYAVQKIKKQD-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181652805 820807800 /nfs/dbraw/zinc/80/78/00/820807800.db2.gz QEFXFBKQFRGJGF-MNOVXSKESA-N 2 1 268.361 -0.983 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181652801 820808611 /nfs/dbraw/zinc/80/86/11/820808611.db2.gz QEFXFBKQFRGJGF-GHMZBOCLSA-N 2 1 268.361 -0.983 20 0 CBADMP CCCCC[N@H+](C)CCC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001181868299 820836329 /nfs/dbraw/zinc/83/63/29/820836329.db2.gz FWGKZHIXZAEJIJ-HZSPNIEDSA-N 2 1 298.435 -0.982 20 0 CBADMP CCCCC[N@@H+](C)CCC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001181868299 820836341 /nfs/dbraw/zinc/83/63/41/820836341.db2.gz FWGKZHIXZAEJIJ-HZSPNIEDSA-N 2 1 298.435 -0.982 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)C2(O)CC[NH+](C)CC2)C1 ZINC001182037080 820857945 /nfs/dbraw/zinc/85/79/45/820857945.db2.gz UDIIXYZCCIAIBG-NSHDSACASA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001183647101 821011579 /nfs/dbraw/zinc/01/15/79/821011579.db2.gz DCMZOGHUHWXGFU-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001183647102 821011731 /nfs/dbraw/zinc/01/17/31/821011731.db2.gz DCMZOGHUHWXGFU-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001183648773 821012077 /nfs/dbraw/zinc/01/20/77/821012077.db2.gz ZCCDYFNPKKMPPX-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001184301823 821066887 /nfs/dbraw/zinc/06/68/87/821066887.db2.gz PVPYGUSKGBBIMY-OLZOCXBDSA-N 2 1 296.371 -0.611 20 0 CBADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248327 821109431 /nfs/dbraw/zinc/10/94/31/821109431.db2.gz CIYUITMNXBSUKI-LLVKDONJSA-N 2 1 295.391 -0.758 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC001185255754 821111887 /nfs/dbraw/zinc/11/18/87/821111887.db2.gz AZYGQJIBGOWLST-FRRDWIJNSA-N 2 1 266.389 -0.748 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001185255754 821111892 /nfs/dbraw/zinc/11/18/92/821111892.db2.gz AZYGQJIBGOWLST-FRRDWIJNSA-N 2 1 266.389 -0.748 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001185255754 821111896 /nfs/dbraw/zinc/11/18/96/821111896.db2.gz AZYGQJIBGOWLST-FRRDWIJNSA-N 2 1 266.389 -0.748 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001185256580 821112359 /nfs/dbraw/zinc/11/23/59/821112359.db2.gz FDEDVEOXAVZJHP-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001185257932 821114238 /nfs/dbraw/zinc/11/42/38/821114238.db2.gz NXSVPVCWNYPIJR-MJBXVCDLSA-N 2 1 280.416 -0.215 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001185257932 821114244 /nfs/dbraw/zinc/11/42/44/821114244.db2.gz NXSVPVCWNYPIJR-MJBXVCDLSA-N 2 1 280.416 -0.215 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001185257932 821114248 /nfs/dbraw/zinc/11/42/48/821114248.db2.gz NXSVPVCWNYPIJR-MJBXVCDLSA-N 2 1 280.416 -0.215 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N(CC[NH3+])c1cccnc1 ZINC001185261343 821114341 /nfs/dbraw/zinc/11/43/41/821114341.db2.gz FIAMNFBJBHSUHK-CYBMUJFWSA-N 2 1 277.372 -0.381 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)Nc1cccnc1C[NH3+] ZINC001185267051 821119614 /nfs/dbraw/zinc/11/96/14/821119614.db2.gz LPALYAOKAKMNRK-GFCCVEGCSA-N 2 1 263.345 -0.275 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC001185269507 821120530 /nfs/dbraw/zinc/12/05/30/821120530.db2.gz OOODKHZOQLJSTJ-RYUDHWBXSA-N 2 1 254.378 -0.700 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001185269507 821120536 /nfs/dbraw/zinc/12/05/36/821120536.db2.gz OOODKHZOQLJSTJ-RYUDHWBXSA-N 2 1 254.378 -0.700 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001185269507 821120541 /nfs/dbraw/zinc/12/05/41/821120541.db2.gz OOODKHZOQLJSTJ-RYUDHWBXSA-N 2 1 254.378 -0.700 20 0 CBADMP COCCC1([NH3+])CCN(C(=O)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001185267557 821121624 /nfs/dbraw/zinc/12/16/24/821121624.db2.gz UUCWQQKLKLGJRF-CYBMUJFWSA-N 2 1 298.431 -0.411 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185444826 821130796 /nfs/dbraw/zinc/13/07/96/821130796.db2.gz BZFWAKGTFMDDNH-STQMWFEESA-N 2 1 298.431 -0.112 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185651321 821137082 /nfs/dbraw/zinc/13/70/82/821137082.db2.gz XOCJKYZWBKSABE-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185659689 821138034 /nfs/dbraw/zinc/13/80/34/821138034.db2.gz OJWVAXVFYJOHAJ-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](O)C3)C[C@H]2C1 ZINC001186043908 821152869 /nfs/dbraw/zinc/15/28/69/821152869.db2.gz AZGAOBNONPFFAY-MCIONIFRSA-N 2 1 281.400 -0.147 20 0 CBADMP O=C(C[N@H+]1CC[C@H](O)C1)N1CC[NH+](C2CCOCC2)CC1 ZINC001186039121 821153866 /nfs/dbraw/zinc/15/38/66/821153866.db2.gz WCEXPVYQRXNCFX-AWEZNQCLSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CC[NH+](C2CCOCC2)CC1 ZINC001186039121 821153874 /nfs/dbraw/zinc/15/38/74/821153874.db2.gz WCEXPVYQRXNCFX-AWEZNQCLSA-N 2 1 297.399 -0.624 20 0 CBADMP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001186045094 821157351 /nfs/dbraw/zinc/15/73/51/821157351.db2.gz PYATUNSSNLMRIK-MBNYWOFBSA-N 2 1 267.373 -0.537 20 0 CBADMP O=C(C[N@H+]1CC[C@H](O)C1)NCC12CC[NH+](CC1)CC2 ZINC001186054459 821162353 /nfs/dbraw/zinc/16/23/53/821162353.db2.gz DXCFTVODLLPZHP-LBPRGKRZSA-N 2 1 267.373 -0.345 20 0 CBADMP O=C(C[N@@H+]1CC[C@H](O)C1)NCC12CC[NH+](CC1)CC2 ZINC001186054459 821162361 /nfs/dbraw/zinc/16/23/61/821162361.db2.gz DXCFTVODLLPZHP-LBPRGKRZSA-N 2 1 267.373 -0.345 20 0 CBADMP N=c1cc(C[NH3+])ccn1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186050737 821163090 /nfs/dbraw/zinc/16/30/90/821163090.db2.gz UREARUWHXQGGRY-JTQLQIEISA-N 2 1 250.302 -0.867 20 0 CBADMP N=c1cc(C[NH3+])ccn1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186050737 821163096 /nfs/dbraw/zinc/16/30/96/821163096.db2.gz UREARUWHXQGGRY-JTQLQIEISA-N 2 1 250.302 -0.867 20 0 CBADMP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186056063 821164592 /nfs/dbraw/zinc/16/45/92/821164592.db2.gz BONVZBGOEZHZCE-GJZGRUSLSA-N 2 1 289.379 -0.035 20 0 CBADMP C[NH+](C)CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186055139 821165771 /nfs/dbraw/zinc/16/57/71/821165771.db2.gz LFBXKVRQRVVMCI-LLVKDONJSA-N 2 1 257.378 -0.243 20 0 CBADMP C[NH+](C)CC(C)(C)CNC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186055139 821165783 /nfs/dbraw/zinc/16/57/83/821165783.db2.gz LFBXKVRQRVVMCI-LLVKDONJSA-N 2 1 257.378 -0.243 20 0 CBADMP COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186366906 821180300 /nfs/dbraw/zinc/18/03/00/821180300.db2.gz CEYUXYQPDXCLSA-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001186824928 821199159 /nfs/dbraw/zinc/19/91/59/821199159.db2.gz RBKBODHWWSATFX-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186808329 821199377 /nfs/dbraw/zinc/19/93/77/821199377.db2.gz MOLHGYOGSKQOHM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001187083757 821212157 /nfs/dbraw/zinc/21/21/57/821212157.db2.gz OSJRWSGCVZFDRN-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNCc1cnon1 ZINC001279672533 828333038 /nfs/dbraw/zinc/33/30/38/828333038.db2.gz KIMZCONJRPERQN-LBPRGKRZSA-N 2 1 297.359 -0.926 20 0 CBADMP CN1CCC[C@H]1C(=O)N(CCO)CCNCc1cnon1 ZINC001279672533 828333046 /nfs/dbraw/zinc/33/30/46/828333046.db2.gz KIMZCONJRPERQN-LBPRGKRZSA-N 2 1 297.359 -0.926 20 0 CBADMP CNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001280294882 828347420 /nfs/dbraw/zinc/34/74/20/828347420.db2.gz GLUWFOLZERDXHO-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001187306415 822264983 /nfs/dbraw/zinc/26/49/83/822264983.db2.gz IGTHMYHXDPVPAM-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001187321910 822267054 /nfs/dbraw/zinc/26/70/54/822267054.db2.gz HZPRBOWUJFGRBL-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001187321910 822267058 /nfs/dbraw/zinc/26/70/58/822267058.db2.gz HZPRBOWUJFGRBL-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187825494 822298836 /nfs/dbraw/zinc/29/88/36/822298836.db2.gz NQCVJXPBIQRNDI-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001187843169 822301070 /nfs/dbraw/zinc/30/10/70/822301070.db2.gz WEUWKLYVAXWAJN-GFCCVEGCSA-N 2 1 293.371 -0.530 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187843151 822301147 /nfs/dbraw/zinc/30/11/47/822301147.db2.gz VPIFEVWJODNIDK-OLZOCXBDSA-N 2 1 296.371 -0.611 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001187982999 822314517 /nfs/dbraw/zinc/31/45/17/822314517.db2.gz VUWVGZVJFCABPF-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001187982999 822314526 /nfs/dbraw/zinc/31/45/26/822314526.db2.gz VUWVGZVJFCABPF-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001281821333 828426568 /nfs/dbraw/zinc/42/65/68/828426568.db2.gz ULKCXZYPLWEXJU-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H](C)[NH2+]CCO ZINC001282141508 828436453 /nfs/dbraw/zinc/43/64/53/828436453.db2.gz OKLXOUARIZVQEK-GHMZBOCLSA-N 2 1 257.378 -0.054 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001282450665 828447548 /nfs/dbraw/zinc/44/75/48/828447548.db2.gz VTEKXZZQNMEZQP-QWRGUYRKSA-N 2 1 298.387 -0.820 20 0 CBADMP CC(C)[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001282545243 828452153 /nfs/dbraw/zinc/45/21/53/828452153.db2.gz NTGWLGVEIFYPIH-LBPRGKRZSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001282545243 828452155 /nfs/dbraw/zinc/45/21/55/828452155.db2.gz NTGWLGVEIFYPIH-LBPRGKRZSA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001283689930 828534309 /nfs/dbraw/zinc/53/43/09/828534309.db2.gz DDPBBFQTXCSWHT-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCOC1CCC1 ZINC001283747226 828541582 /nfs/dbraw/zinc/54/15/82/828541582.db2.gz SIVAVNWMAJNLMQ-OCCSQVGLSA-N 2 1 299.415 -0.284 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCOC1CCC1 ZINC001283747219 828542208 /nfs/dbraw/zinc/54/22/08/828542208.db2.gz SIVAVNWMAJNLMQ-GXTWGEPZSA-N 2 1 299.415 -0.284 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCOC1CCC1 ZINC001283747227 828542223 /nfs/dbraw/zinc/54/22/23/828542223.db2.gz SIVAVNWMAJNLMQ-TZMCWYRMSA-N 2 1 299.415 -0.284 20 0 CBADMP CCOCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001283793833 828549256 /nfs/dbraw/zinc/54/92/56/828549256.db2.gz XHMVAIOTXXYOOK-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034208 823730891 /nfs/dbraw/zinc/73/08/91/823730891.db2.gz CBBSDUHQFYIBAK-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034208 823730895 /nfs/dbraw/zinc/73/08/95/823730895.db2.gz CBBSDUHQFYIBAK-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054555 823731434 /nfs/dbraw/zinc/73/14/34/823731434.db2.gz FWHWQPAYCWCMAI-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CCO)[C@H]1C ZINC001283941366 828561035 /nfs/dbraw/zinc/56/10/35/828561035.db2.gz XEGFFZDZBABGIZ-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189388127 823753166 /nfs/dbraw/zinc/75/31/66/823753166.db2.gz CCCRAMJIJJKMEL-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189388127 823753175 /nfs/dbraw/zinc/75/31/75/823753175.db2.gz CCCRAMJIJJKMEL-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189388127 823753182 /nfs/dbraw/zinc/75/31/82/823753182.db2.gz CCCRAMJIJJKMEL-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189388127 823753190 /nfs/dbraw/zinc/75/31/90/823753190.db2.gz CCCRAMJIJJKMEL-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189388128 823753251 /nfs/dbraw/zinc/75/32/51/823753251.db2.gz CCCRAMJIJJKMEL-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189388128 823753261 /nfs/dbraw/zinc/75/32/61/823753261.db2.gz CCCRAMJIJJKMEL-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189388128 823753270 /nfs/dbraw/zinc/75/32/70/823753270.db2.gz CCCRAMJIJJKMEL-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189388128 823753278 /nfs/dbraw/zinc/75/32/78/823753278.db2.gz CCCRAMJIJJKMEL-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP COCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189516576 823764899 /nfs/dbraw/zinc/76/48/99/823764899.db2.gz IOWXXJGUWKGNBH-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189516576 823764905 /nfs/dbraw/zinc/76/49/05/823764905.db2.gz IOWXXJGUWKGNBH-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189516576 823764906 /nfs/dbraw/zinc/76/49/06/823764906.db2.gz IOWXXJGUWKGNBH-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189516576 823764912 /nfs/dbraw/zinc/76/49/12/823764912.db2.gz IOWXXJGUWKGNBH-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189516575 823765229 /nfs/dbraw/zinc/76/52/29/823765229.db2.gz IOWXXJGUWKGNBH-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189516575 823765237 /nfs/dbraw/zinc/76/52/37/823765237.db2.gz IOWXXJGUWKGNBH-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189516575 823765242 /nfs/dbraw/zinc/76/52/42/823765242.db2.gz IOWXXJGUWKGNBH-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189516575 823765245 /nfs/dbraw/zinc/76/52/45/823765245.db2.gz IOWXXJGUWKGNBH-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC)C[C@H]21 ZINC001189653329 823770841 /nfs/dbraw/zinc/77/08/41/823770841.db2.gz VLNCYSLHZQDURP-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC)C[C@H]21 ZINC001189653329 823770844 /nfs/dbraw/zinc/77/08/44/823770844.db2.gz VLNCYSLHZQDURP-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001189653329 823770851 /nfs/dbraw/zinc/77/08/51/823770851.db2.gz VLNCYSLHZQDURP-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001189653329 823770856 /nfs/dbraw/zinc/77/08/56/823770856.db2.gz VLNCYSLHZQDURP-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001190350501 823812813 /nfs/dbraw/zinc/81/28/13/823812813.db2.gz FSZNJIXTCZYLRU-RWMBFGLXSA-N 2 1 296.415 -0.267 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001190350501 823812817 /nfs/dbraw/zinc/81/28/17/823812817.db2.gz FSZNJIXTCZYLRU-RWMBFGLXSA-N 2 1 296.415 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001190350501 823812822 /nfs/dbraw/zinc/81/28/22/823812822.db2.gz FSZNJIXTCZYLRU-RWMBFGLXSA-N 2 1 296.415 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001190350501 823812830 /nfs/dbraw/zinc/81/28/30/823812830.db2.gz FSZNJIXTCZYLRU-RWMBFGLXSA-N 2 1 296.415 -0.267 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190643404 823832821 /nfs/dbraw/zinc/83/28/21/823832821.db2.gz BKBTWDQFTXEGFX-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190643404 823832830 /nfs/dbraw/zinc/83/28/30/823832830.db2.gz BKBTWDQFTXEGFX-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP COCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001190900523 823859034 /nfs/dbraw/zinc/85/90/34/823859034.db2.gz QNMJMEYBTBZRDY-MGPQQGTHSA-N 2 1 299.415 -0.115 20 0 CBADMP COCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190900523 823859042 /nfs/dbraw/zinc/85/90/42/823859042.db2.gz QNMJMEYBTBZRDY-MGPQQGTHSA-N 2 1 299.415 -0.115 20 0 CBADMP COCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190900523 823859051 /nfs/dbraw/zinc/85/90/51/823859051.db2.gz QNMJMEYBTBZRDY-MGPQQGTHSA-N 2 1 299.415 -0.115 20 0 CBADMP COCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190900523 823859062 /nfs/dbraw/zinc/85/90/62/823859062.db2.gz QNMJMEYBTBZRDY-MGPQQGTHSA-N 2 1 299.415 -0.115 20 0 CBADMP COCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190900523 823859068 /nfs/dbraw/zinc/85/90/68/823859068.db2.gz QNMJMEYBTBZRDY-MGPQQGTHSA-N 2 1 299.415 -0.115 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC(=O)N(C)C)C1)[NH+](C)C ZINC001190898488 823859308 /nfs/dbraw/zinc/85/93/08/823859308.db2.gz CJGJVUVJRPNOMF-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191728479 823918778 /nfs/dbraw/zinc/91/87/78/823918778.db2.gz ZLGGOPJJKIVEHO-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@@H](O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191728479 823918786 /nfs/dbraw/zinc/91/87/86/823918786.db2.gz ZLGGOPJJKIVEHO-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@@H](O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191728479 823918795 /nfs/dbraw/zinc/91/87/95/823918795.db2.gz ZLGGOPJJKIVEHO-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001192037106 823940087 /nfs/dbraw/zinc/94/00/87/823940087.db2.gz DUHYAXYGHIACSV-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001192037106 823940092 /nfs/dbraw/zinc/94/00/92/823940092.db2.gz DUHYAXYGHIACSV-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001192038869 823941966 /nfs/dbraw/zinc/94/19/66/823941966.db2.gz TXJOJLABAFQZOL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192143831 823953811 /nfs/dbraw/zinc/95/38/11/823953811.db2.gz QBENBMSZWHZEBR-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192143831 823953817 /nfs/dbraw/zinc/95/38/17/823953817.db2.gz QBENBMSZWHZEBR-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170783 823954764 /nfs/dbraw/zinc/95/47/64/823954764.db2.gz QPUGSAXSNYMRRV-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170110 823954815 /nfs/dbraw/zinc/95/48/15/823954815.db2.gz HJDTUJQMVVERMQ-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192190869 823955597 /nfs/dbraw/zinc/95/55/97/823955597.db2.gz USSZCHQMAAAUAK-GXTWGEPZSA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192190869 823955607 /nfs/dbraw/zinc/95/56/07/823955607.db2.gz USSZCHQMAAAUAK-GXTWGEPZSA-N 2 1 298.431 -0.149 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NC)C1 ZINC001192970860 823994488 /nfs/dbraw/zinc/99/44/88/823994488.db2.gz ZJTYFPULCYPAFD-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)C(N)=O)C1 ZINC001193278130 824017799 /nfs/dbraw/zinc/01/77/99/824017799.db2.gz FAOYQVWFWVTTOS-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)C(N)=O)C1 ZINC001193278130 824017805 /nfs/dbraw/zinc/01/78/05/824017805.db2.gz FAOYQVWFWVTTOS-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001193278130 824017811 /nfs/dbraw/zinc/01/78/11/824017811.db2.gz FAOYQVWFWVTTOS-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)CC(N)=O)C1 ZINC001193289827 824017861 /nfs/dbraw/zinc/01/78/61/824017861.db2.gz ABZRLZWULQYAKK-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001193289827 824017866 /nfs/dbraw/zinc/01/78/66/824017866.db2.gz ABZRLZWULQYAKK-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001193289827 824017872 /nfs/dbraw/zinc/01/78/72/824017872.db2.gz ABZRLZWULQYAKK-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001193289827 824017874 /nfs/dbraw/zinc/01/78/74/824017874.db2.gz ABZRLZWULQYAKK-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001193289827 824017883 /nfs/dbraw/zinc/01/78/83/824017883.db2.gz ABZRLZWULQYAKK-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001284470484 828600105 /nfs/dbraw/zinc/60/01/05/828600105.db2.gz VLZOAGZTWIWFHH-NWDGAFQWSA-N 2 1 257.378 -0.245 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC(=O)NC)C1 ZINC001193292823 824020337 /nfs/dbraw/zinc/02/03/37/824020337.db2.gz ULOKALKNFHFONN-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC(=O)NC)C1 ZINC001193292823 824020345 /nfs/dbraw/zinc/02/03/45/824020345.db2.gz ULOKALKNFHFONN-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC)C1 ZINC001193292823 824020352 /nfs/dbraw/zinc/02/03/52/824020352.db2.gz ULOKALKNFHFONN-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC)C1 ZINC001193292823 824020360 /nfs/dbraw/zinc/02/03/60/824020360.db2.gz ULOKALKNFHFONN-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570724 824034830 /nfs/dbraw/zinc/03/48/30/824034830.db2.gz LBPDLNPDGSYVRH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570724 824034834 /nfs/dbraw/zinc/03/48/34/824034834.db2.gz LBPDLNPDGSYVRH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC001193642066 824041360 /nfs/dbraw/zinc/04/13/60/824041360.db2.gz LECAFWMYZSTBTD-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001193642066 824041364 /nfs/dbraw/zinc/04/13/64/824041364.db2.gz LECAFWMYZSTBTD-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O)C1CC1 ZINC001193780909 824045642 /nfs/dbraw/zinc/04/56/42/824045642.db2.gz HNPMIRLTHZHCRI-MCIONIFRSA-N 2 1 281.400 -0.102 20 0 CBADMP COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039202 824056215 /nfs/dbraw/zinc/05/62/15/824056215.db2.gz LJXQLUOZTPYNNN-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001195284144 824108953 /nfs/dbraw/zinc/10/89/53/824108953.db2.gz PUPHKVYNARJUMQ-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP COC[C@@H](O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001195284144 824108958 /nfs/dbraw/zinc/10/89/58/824108958.db2.gz PUPHKVYNARJUMQ-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP COC[C@@H](O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001195284144 824108962 /nfs/dbraw/zinc/10/89/62/824108962.db2.gz PUPHKVYNARJUMQ-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661105 824127545 /nfs/dbraw/zinc/12/75/45/824127545.db2.gz HMLCEBUWGMWWGW-JHJVBQTASA-N 2 1 299.415 -0.476 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195676631 824127584 /nfs/dbraw/zinc/12/75/84/824127584.db2.gz GYJDHDNEIVEUJD-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869398 824135729 /nfs/dbraw/zinc/13/57/29/824135729.db2.gz CIMCZZHZHMJBBI-QJPTWQEYSA-N 2 1 273.377 -0.866 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001196169355 824150781 /nfs/dbraw/zinc/15/07/81/824150781.db2.gz RGIKMIJJIOCBSZ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001196169355 824150784 /nfs/dbraw/zinc/15/07/84/824150784.db2.gz RGIKMIJJIOCBSZ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001196169355 824150786 /nfs/dbraw/zinc/15/07/86/824150786.db2.gz RGIKMIJJIOCBSZ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001196169355 824150790 /nfs/dbraw/zinc/15/07/90/824150790.db2.gz RGIKMIJJIOCBSZ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[N@@H+](CCn2cncn2)CC1 ZINC001197049435 824176959 /nfs/dbraw/zinc/17/69/59/824176959.db2.gz QGRXIIFEXCVRJD-UHFFFAOYSA-N 2 1 294.403 -0.236 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048650 824177250 /nfs/dbraw/zinc/17/72/50/824177250.db2.gz GVRCCNIHOQZHAJ-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048650 824177253 /nfs/dbraw/zinc/17/72/53/824177253.db2.gz GVRCCNIHOQZHAJ-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044222 824177309 /nfs/dbraw/zinc/17/73/09/824177309.db2.gz PFHBKXOKMOPCLX-UHFFFAOYSA-N 2 1 284.404 -0.439 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044222 824177313 /nfs/dbraw/zinc/17/73/13/824177313.db2.gz PFHBKXOKMOPCLX-UHFFFAOYSA-N 2 1 284.404 -0.439 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001197048753 824177534 /nfs/dbraw/zinc/17/75/34/824177534.db2.gz FXQPRYHEGUJRGJ-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP COCCC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001284751726 828622247 /nfs/dbraw/zinc/62/22/47/828622247.db2.gz VJPZRBNHSCGRQT-JXQTWKCFSA-N 2 1 299.415 -0.068 20 0 CBADMP COCCC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001284751726 828622249 /nfs/dbraw/zinc/62/22/49/828622249.db2.gz VJPZRBNHSCGRQT-JXQTWKCFSA-N 2 1 299.415 -0.068 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](C)OC)C[C@H]1O ZINC001198028665 824215179 /nfs/dbraw/zinc/21/51/79/824215179.db2.gz FNDFAXIBEZIEIL-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)OC)C[C@H]1O ZINC001198028665 824215187 /nfs/dbraw/zinc/21/51/87/824215187.db2.gz FNDFAXIBEZIEIL-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@H]1O ZINC001198028665 824215192 /nfs/dbraw/zinc/21/51/92/824215192.db2.gz FNDFAXIBEZIEIL-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198097401 824218246 /nfs/dbraw/zinc/21/82/46/824218246.db2.gz ACDNCQCWLOTEJV-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@H](O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001198097401 824218251 /nfs/dbraw/zinc/21/82/51/824218251.db2.gz ACDNCQCWLOTEJV-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@H](O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001198097401 824218264 /nfs/dbraw/zinc/21/82/64/824218264.db2.gz ACDNCQCWLOTEJV-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@H](O)C[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001198098216 824219224 /nfs/dbraw/zinc/21/92/24/824219224.db2.gz RMVXQWVNRSMYDI-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP C[C@@H](O)C[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001284854943 828624921 /nfs/dbraw/zinc/62/49/21/828624921.db2.gz SEELEAKNNVWCJZ-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCOCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199942940 824296822 /nfs/dbraw/zinc/29/68/22/824296822.db2.gz BNVAQDYXBXTREH-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199942940 824296826 /nfs/dbraw/zinc/29/68/26/824296826.db2.gz BNVAQDYXBXTREH-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200183502 824312927 /nfs/dbraw/zinc/31/29/27/824312927.db2.gz ZDYSDPLZAJGKDO-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200183502 824312928 /nfs/dbraw/zinc/31/29/28/824312928.db2.gz ZDYSDPLZAJGKDO-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+](CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1)C1CCC1 ZINC001200704633 824324786 /nfs/dbraw/zinc/32/47/86/824324786.db2.gz ODOIXDOAFDWHHO-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001201321174 824331377 /nfs/dbraw/zinc/33/13/77/824331377.db2.gz GPLDKZHZQFHGBP-UHFFFAOYSA-N 2 1 284.404 -0.217 20 0 CBADMP CNC(=O)C[NH2+]C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001201631599 824334411 /nfs/dbraw/zinc/33/44/11/824334411.db2.gz HQQSKDCIMJTLLH-UHFFFAOYSA-N 2 1 293.371 -0.482 20 0 CBADMP COCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202056751 824340486 /nfs/dbraw/zinc/34/04/86/824340486.db2.gz BKIBREPMOOSYOB-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCCO)C2)C1 ZINC001202058268 824341606 /nfs/dbraw/zinc/34/16/06/824341606.db2.gz JJBXIJWFHBNKCA-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001202166004 824341827 /nfs/dbraw/zinc/34/18/27/824341827.db2.gz UCFYUKARLONJIR-CYBMUJFWSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001203709455 824362731 /nfs/dbraw/zinc/36/27/31/824362731.db2.gz RQKTYJVUVHOEGI-UHFFFAOYSA-N 2 1 293.371 -0.482 20 0 CBADMP CNC(=O)C[NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001203925513 824363665 /nfs/dbraw/zinc/36/36/65/824363665.db2.gz QOLKRHTYBUBRPO-UHFFFAOYSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC001203925483 824363836 /nfs/dbraw/zinc/36/38/36/824363836.db2.gz PJANWYBMBNVDDZ-NSHDSACASA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204876035 824371878 /nfs/dbraw/zinc/37/18/78/824371878.db2.gz KFWVMOJFSNCRJN-OCCSQVGLSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876035 824371884 /nfs/dbraw/zinc/37/18/84/824371884.db2.gz KFWVMOJFSNCRJN-OCCSQVGLSA-N 2 1 299.415 -0.474 20 0 CBADMP 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 824372511 /nfs/dbraw/zinc/37/25/11/824372511.db2.gz BDQGPFHFODQXPS-LMEMUVGESA-N 2 1 284.356 -0.640 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)CC1 ZINC001205241679 824376475 /nfs/dbraw/zinc/37/64/75/824376475.db2.gz UPBVZTNKSKYNJF-LBPRGKRZSA-N 2 1 268.317 -0.437 20 0 CBADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1CN1CC[C@@H](O)[C@H]([NH3+])C1 ZINC001206082103 824392258 /nfs/dbraw/zinc/39/22/58/824392258.db2.gz SVISCHTWQSYWDG-GWOFURMSSA-N 2 1 263.332 -0.129 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206275221 824396579 /nfs/dbraw/zinc/39/65/79/824396579.db2.gz PZPLGVRGQVQGAZ-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP Cc1ncc(CO)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206476244 824400426 /nfs/dbraw/zinc/40/04/26/824400426.db2.gz SOBDMAUCMIYPOL-JOYOIKCWSA-N 2 1 267.329 -0.661 20 0 CBADMP Cc1ncc(CO)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206476244 824400431 /nfs/dbraw/zinc/40/04/31/824400431.db2.gz SOBDMAUCMIYPOL-JOYOIKCWSA-N 2 1 267.329 -0.661 20 0 CBADMP COC(=O)COc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206469797 824400444 /nfs/dbraw/zinc/40/04/44/824400444.db2.gz UBZVBQQAONGQGJ-GXTWGEPZSA-N 2 1 294.351 -0.010 20 0 CBADMP COC(=O)COc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206469797 824400449 /nfs/dbraw/zinc/40/04/49/824400449.db2.gz UBZVBQQAONGQGJ-GXTWGEPZSA-N 2 1 294.351 -0.010 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001206519444 824401729 /nfs/dbraw/zinc/40/17/29/824401729.db2.gz LIWDAVRKTXXDSW-RYUDHWBXSA-N 2 1 274.328 -0.382 20 0 CBADMP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206512633 824401875 /nfs/dbraw/zinc/40/18/75/824401875.db2.gz RYXMOTMOGMDULP-BFVZDQMLSA-N 2 1 293.367 -0.643 20 0 CBADMP COC(=O)COc1ccccc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206525681 824402223 /nfs/dbraw/zinc/40/22/23/824402223.db2.gz YSBJPHJBSJZKCJ-STQMWFEESA-N 2 1 294.351 -0.010 20 0 CBADMP COC(=O)COc1ccccc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206525681 824402225 /nfs/dbraw/zinc/40/22/25/824402225.db2.gz YSBJPHJBSJZKCJ-STQMWFEESA-N 2 1 294.351 -0.010 20 0 CBADMP CC1(C[NH3+])C[NH+](CC2CCN(S(C)(=O)=O)CC2)C1 ZINC001206710859 824405501 /nfs/dbraw/zinc/40/55/01/824405501.db2.gz AIRSVBHTTHCNLF-UHFFFAOYSA-N 2 1 275.418 -0.061 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563118 824431258 /nfs/dbraw/zinc/43/12/58/824431258.db2.gz FWLKAZOAAGNNQG-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563118 824431259 /nfs/dbraw/zinc/43/12/59/824431259.db2.gz FWLKAZOAAGNNQG-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207563118 824431262 /nfs/dbraw/zinc/43/12/62/824431262.db2.gz FWLKAZOAAGNNQG-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207563118 824431263 /nfs/dbraw/zinc/43/12/63/824431263.db2.gz FWLKAZOAAGNNQG-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207688009 824433951 /nfs/dbraw/zinc/43/39/51/824433951.db2.gz KYECMCRLBMCKKT-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207684215 824434455 /nfs/dbraw/zinc/43/44/55/824434455.db2.gz KNUUJWUGHJMKOU-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+]1CCC(C)(C[N@H+]2CCO[C@H](C(N)=O)C2)CC1 ZINC001208110154 824446051 /nfs/dbraw/zinc/44/60/51/824446051.db2.gz WRIZTPWYDZHMNF-NSHDSACASA-N 2 1 255.362 -0.096 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070076 824446505 /nfs/dbraw/zinc/44/65/05/824446505.db2.gz CMTHEZJPVRQMKA-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCO)C2)O1 ZINC001208411465 824451577 /nfs/dbraw/zinc/45/15/77/824451577.db2.gz UUOWIMWSPXEAIM-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCO)C2)O1 ZINC001208411465 824451581 /nfs/dbraw/zinc/45/15/81/824451581.db2.gz UUOWIMWSPXEAIM-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447913 824452666 /nfs/dbraw/zinc/45/26/66/824452666.db2.gz RRBQYQYPZTYLSN-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445170 824453011 /nfs/dbraw/zinc/45/30/11/824453011.db2.gz UNOLPXRTWGUBKH-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445170 824453014 /nfs/dbraw/zinc/45/30/14/824453014.db2.gz UNOLPXRTWGUBKH-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208438152 824453407 /nfs/dbraw/zinc/45/34/07/824453407.db2.gz GDXFVDZUZJMRBY-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208438152 824453412 /nfs/dbraw/zinc/45/34/12/824453412.db2.gz GDXFVDZUZJMRBY-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492869 824454419 /nfs/dbraw/zinc/45/44/19/824454419.db2.gz RUJHGBWWJBHPSP-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492869 824454422 /nfs/dbraw/zinc/45/44/22/824454422.db2.gz RUJHGBWWJBHPSP-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP COC(=O)[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001208724008 824457759 /nfs/dbraw/zinc/45/77/59/824457759.db2.gz BIHDOVOHLMGJAA-NWDGAFQWSA-N 2 1 285.388 -0.062 20 0 CBADMP COC(=O)[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001208724008 824457766 /nfs/dbraw/zinc/45/77/66/824457766.db2.gz BIHDOVOHLMGJAA-NWDGAFQWSA-N 2 1 285.388 -0.062 20 0 CBADMP COC(=O)[C@H](C)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001208720793 824458125 /nfs/dbraw/zinc/45/81/25/824458125.db2.gz LZQWQCWEAUBLLA-GFCCVEGCSA-N 2 1 285.388 -0.109 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506130 824472149 /nfs/dbraw/zinc/47/21/49/824472149.db2.gz FSOMEJPCYYSENG-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506130 824472151 /nfs/dbraw/zinc/47/21/51/824472151.db2.gz FSOMEJPCYYSENG-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001211286480 824484155 /nfs/dbraw/zinc/48/41/55/824484155.db2.gz UWMKNSCSCKLNHF-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213719091 824514757 /nfs/dbraw/zinc/51/47/57/824514757.db2.gz MZGPMCRHFRJUEE-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857712 824515902 /nfs/dbraw/zinc/51/59/02/824515902.db2.gz TYQNSDXCGLKQBG-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213857712 824515904 /nfs/dbraw/zinc/51/59/04/824515904.db2.gz TYQNSDXCGLKQBG-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213857712 824515906 /nfs/dbraw/zinc/51/59/06/824515906.db2.gz TYQNSDXCGLKQBG-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929690 824517288 /nfs/dbraw/zinc/51/72/88/824517288.db2.gz HLFBVXNVAGMCLM-YNEHKIRRSA-N 2 1 287.404 -0.477 20 0 CBADMP CO[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929690 824517290 /nfs/dbraw/zinc/51/72/90/824517290.db2.gz HLFBVXNVAGMCLM-YNEHKIRRSA-N 2 1 287.404 -0.477 20 0 CBADMP CO[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929690 824517291 /nfs/dbraw/zinc/51/72/91/824517291.db2.gz HLFBVXNVAGMCLM-YNEHKIRRSA-N 2 1 287.404 -0.477 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001215004243 824537813 /nfs/dbraw/zinc/53/78/13/824537813.db2.gz WANKFGYFMXDVMT-GHMZBOCLSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCCO ZINC001216751963 824549534 /nfs/dbraw/zinc/54/95/34/824549534.db2.gz DLJFEEGEINIANQ-FRRDWIJNSA-N 2 1 269.389 -0.243 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216852270 824550234 /nfs/dbraw/zinc/55/02/34/824550234.db2.gz TVKSAUXACMRDLJ-JHJVBQTASA-N 2 1 298.431 -0.102 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001216851818 824550742 /nfs/dbraw/zinc/55/07/42/824550742.db2.gz JACDGAHYYFMBRH-GHMZBOCLSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H]1C[N@@H+](CCc2nnc([C@H]3C[NH2+]C[C@@H]3N)o2)C[C@H](C)O1 ZINC001217744653 824559993 /nfs/dbraw/zinc/55/99/93/824559993.db2.gz NWRANYPKCNNQIN-USZNOCQGSA-N 2 1 295.387 -0.265 20 0 CBADMP C[C@@H]1C[N@H+](CCc2nnc([C@H]3C[NH2+]C[C@@H]3N)o2)C[C@H](C)O1 ZINC001217744653 824559998 /nfs/dbraw/zinc/55/99/98/824559998.db2.gz NWRANYPKCNNQIN-USZNOCQGSA-N 2 1 295.387 -0.265 20 0 CBADMP C[C@@H]1C[N@@H+](CCc2nnc([C@@H](O)C[NH3+])o2)C[C@H](C)O1 ZINC001217740385 824560130 /nfs/dbraw/zinc/56/01/30/824560130.db2.gz OAYYNHMTLUOEHD-AEJSXWLSSA-N 2 1 270.333 -0.287 20 0 CBADMP C[C@@H]1C[N@H+](CCc2nnc([C@@H](O)C[NH3+])o2)C[C@H](C)O1 ZINC001217740385 824560136 /nfs/dbraw/zinc/56/01/36/824560136.db2.gz OAYYNHMTLUOEHD-AEJSXWLSSA-N 2 1 270.333 -0.287 20 0 CBADMP C[C@H]1C[NH+](CCc2nnc(CNCC[NH3+])o2)C[C@H](C)O1 ZINC001217729300 824561343 /nfs/dbraw/zinc/56/13/43/824561343.db2.gz HTHCOFLSIHWTTO-QWRGUYRKSA-N 2 1 283.376 -0.230 20 0 CBADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@H]1CC[NH2+]C1 ZINC001218177508 824564085 /nfs/dbraw/zinc/56/40/85/824564085.db2.gz PDQGEEXWRJONKH-ZETCQYMHSA-N 2 1 296.327 -0.097 20 0 CBADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1OC1C[NH2+]C1 ZINC001218049098 824564808 /nfs/dbraw/zinc/56/48/08/824564808.db2.gz CWCRHVNZQFXKAC-UHFFFAOYSA-N 2 1 282.300 -0.487 20 0 CBADMP CCOC(=O)c1cc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n[nH]1 ZINC001218511152 824576513 /nfs/dbraw/zinc/57/65/13/824576513.db2.gz RPSNGQLJJVDIPG-LLVKDONJSA-N 2 1 295.343 -0.148 20 0 CBADMP [NH3+]CCC[NH2+]CC(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218534257 824585525 /nfs/dbraw/zinc/58/55/25/824585525.db2.gz SBIFECHFHDVJHV-MRVPVSSYSA-N 3 1 283.401 -0.164 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218550738 824588512 /nfs/dbraw/zinc/58/85/12/824588512.db2.gz LSIFPKNLPWFNDY-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP C[NH+]1CCN(c2ncccc2NC(=O)CNCC[NH3+])CC1 ZINC001218556433 824589926 /nfs/dbraw/zinc/58/99/26/824589926.db2.gz QMYKNLFGEKZLFP-UHFFFAOYSA-N 2 1 292.387 -0.680 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218557516 824590506 /nfs/dbraw/zinc/59/05/06/824590506.db2.gz AUPBMFOTQIVXAI-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218557516 824590510 /nfs/dbraw/zinc/59/05/10/824590510.db2.gz AUPBMFOTQIVXAI-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CCOC(=O)c1nc[nH]c1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218560420 824591959 /nfs/dbraw/zinc/59/19/59/824591959.db2.gz YXBKAFGKLXUMBE-QMMMGPOBSA-N 2 1 283.332 -0.019 20 0 CBADMP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]3CC[NH2+]3)cn2)CC1 ZINC001218580626 824599388 /nfs/dbraw/zinc/59/93/88/824599388.db2.gz VFWLYYNOINAUPJ-NSHDSACASA-N 2 1 276.344 -0.471 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)C1 ZINC001218726825 824629183 /nfs/dbraw/zinc/62/91/83/824629183.db2.gz JWZXRNCJMYEHQA-JLLWLGSASA-N 2 1 291.355 -0.550 20 0 CBADMP CN(C)c1cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])n[nH]1 ZINC001218743340 824632153 /nfs/dbraw/zinc/63/21/53/824632153.db2.gz QYDNYIMVGAIBQU-QMMMGPOBSA-N 2 1 254.338 -0.130 20 0 CBADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357974 824697078 /nfs/dbraw/zinc/69/70/78/824697078.db2.gz RXDGFWIRLCOLJF-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357974 824697081 /nfs/dbraw/zinc/69/70/81/824697081.db2.gz RXDGFWIRLCOLJF-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357974 824697086 /nfs/dbraw/zinc/69/70/86/824697086.db2.gz RXDGFWIRLCOLJF-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357974 824697087 /nfs/dbraw/zinc/69/70/87/824697087.db2.gz RXDGFWIRLCOLJF-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+](CC)CCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219554075 824727871 /nfs/dbraw/zinc/72/78/71/824727871.db2.gz UYMQENUXVSDYAY-UHFFFAOYSA-N 3 1 256.394 -0.214 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]Cc3ccnn32)C[NH2+]1 ZINC001219580168 824733937 /nfs/dbraw/zinc/73/39/37/824733937.db2.gz LAVVSHWAWNOFIX-JBLDHEPKSA-N 2 1 263.345 -0.216 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C[NH2+]1 ZINC001219579652 824735213 /nfs/dbraw/zinc/73/52/13/824735213.db2.gz CGFOEJUQSLQBAH-QXEWZRGKSA-N 2 1 251.334 -0.464 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)CN2CC[NH+](C)CC2)C[NH2+]1 ZINC001219582749 824736764 /nfs/dbraw/zinc/73/67/64/824736764.db2.gz JLMGUKJCPJULIU-RYUDHWBXSA-N 2 1 254.378 -0.510 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616395 824857306 /nfs/dbraw/zinc/85/73/06/824857306.db2.gz ZXPIGIAJJPLOLQ-CMPLNLGQSA-N 2 1 261.341 -0.495 20 0 CBADMP CC(C)C[C@H](CO)NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219630681 824865832 /nfs/dbraw/zinc/86/58/32/824865832.db2.gz IADYAZQGXUFZFW-GFCCVEGCSA-N 2 1 257.378 -0.149 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2C[NH2+]Cc3ccnn32)C1 ZINC001219638053 824868337 /nfs/dbraw/zinc/86/83/37/824868337.db2.gz IZUQXUUWIYCFBF-GMXVVIOVSA-N 2 1 277.372 -0.111 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2nnn3c2C[NH2+]CC3)C1 ZINC001219663840 824874180 /nfs/dbraw/zinc/87/41/80/824874180.db2.gz RLJVIXRCOKGAOJ-VHSXEESVSA-N 2 1 278.360 -0.643 20 0 CBADMP C[C@H]1C[NH2+]C[C@@H](CNC(=O)c2[nH]nc3c2C[NH2+]C3)C1 ZINC001219661279 824874379 /nfs/dbraw/zinc/87/43/79/824874379.db2.gz AXKNWVCTZTZJCL-BDAKNGLRSA-N 2 1 263.345 -0.012 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@]2(C)COCC[NH2+]2)C1 ZINC001219651444 824875222 /nfs/dbraw/zinc/87/52/22/824875222.db2.gz VTEHVKGJPOUSEN-GMXVVIOVSA-N 2 1 255.362 -0.273 20 0 CBADMP NC[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2COC[C@@H]2[NH3+])cc1 ZINC001219720872 824886840 /nfs/dbraw/zinc/88/68/40/824886840.db2.gz UHAZFMIUGGSYIT-GRYCIOLGSA-N 2 1 264.329 -0.899 20 0 CBADMP C[C@@H]([NH3+])c1ncc(C(=O)N[C@@H]2COC[C@@H]2[NH3+])s1 ZINC001219720070 824886979 /nfs/dbraw/zinc/88/69/79/824886979.db2.gz FRYAEJFOCHTXEG-DSYKOEDSSA-N 2 1 256.331 -0.381 20 0 CBADMP [NH3+]Cc1ncc(C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)s1 ZINC001219738872 824887828 /nfs/dbraw/zinc/88/78/28/824887828.db2.gz AVNWOUSUPSKHIJ-MRVPVSSYSA-N 2 1 282.369 -0.290 20 0 CBADMP CC(C)(C)OC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766667 824891199 /nfs/dbraw/zinc/89/11/99/824891199.db2.gz ZFWDKCIXVZZUCL-AGIUHOORSA-N 2 1 298.431 -0.461 20 0 CBADMP CC(C)(C)OC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766667 824891202 /nfs/dbraw/zinc/89/12/02/824891202.db2.gz ZFWDKCIXVZZUCL-AGIUHOORSA-N 2 1 298.431 -0.461 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764680 824892502 /nfs/dbraw/zinc/89/25/02/824892502.db2.gz JUZLIRNCOHAEGF-RFQIPJPRSA-N 2 1 280.416 -0.216 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764680 824892509 /nfs/dbraw/zinc/89/25/09/824892509.db2.gz JUZLIRNCOHAEGF-RFQIPJPRSA-N 2 1 280.416 -0.216 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)NC2CC3(C2)CC[NH2+]CC3)C1 ZINC001219777837 824893562 /nfs/dbraw/zinc/89/35/62/824893562.db2.gz RXFANAPPGTVFBN-KOLCDFICSA-N 2 1 252.362 -0.676 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798605 824894863 /nfs/dbraw/zinc/89/48/63/824894863.db2.gz OOCDBUFGYFWHBD-NEPJUHHUSA-N 2 1 285.388 -0.722 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798605 824894865 /nfs/dbraw/zinc/89/48/65/824894865.db2.gz OOCDBUFGYFWHBD-NEPJUHHUSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805510 824894911 /nfs/dbraw/zinc/89/49/11/824894911.db2.gz LGZCMTPCYCKIKW-GRYCIOLGSA-N 2 1 255.362 -0.492 20 0 CBADMP N[C@]1(C(=O)NC2CCN(C3CC[NH2+]CC3)CC2)CC[NH2+]C1 ZINC001219796355 824895083 /nfs/dbraw/zinc/89/50/83/824895083.db2.gz WYNDRZKYOCQCNA-OAHLLOKOSA-N 2 1 295.431 -0.990 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)CCC1 ZINC001219802007 824896118 /nfs/dbraw/zinc/89/61/18/824896118.db2.gz CKQHTNIVRFHLGB-NEPJUHHUSA-N 2 1 287.379 -0.008 20 0 CBADMP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1noc2c1CNCC2 ZINC001219809969 824898044 /nfs/dbraw/zinc/89/80/44/824898044.db2.gz XRWRNSXZKRTBBJ-SECBINFHSA-N 2 1 267.333 -0.997 20 0 CBADMP [NH3+]CCCNCC(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219825095 824898931 /nfs/dbraw/zinc/89/89/31/824898931.db2.gz COAIPXZMJKQKOB-SNVBAGLBSA-N 2 1 268.386 -0.053 20 0 CBADMP O=C(N[C@@H]1CNCc2ccsc21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219823090 824900588 /nfs/dbraw/zinc/90/05/88/824900588.db2.gz KJSGHTSKRIMRHB-GHMZBOCLSA-N 2 1 292.408 -0.182 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001219867776 824904729 /nfs/dbraw/zinc/90/47/29/824904729.db2.gz RDXRGLOPZKYARR-STQMWFEESA-N 2 1 263.341 -0.303 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC001219867776 824904731 /nfs/dbraw/zinc/90/47/31/824904731.db2.gz RDXRGLOPZKYARR-STQMWFEESA-N 2 1 263.341 -0.303 20 0 CBADMP CC(=O)N1C[C@H]2C[C@@]2(NC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001219891120 824910491 /nfs/dbraw/zinc/91/04/91/824910491.db2.gz OKKRRDGQWUPFCK-BXUZGUMPSA-N 2 1 280.372 -0.935 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219890463 824910616 /nfs/dbraw/zinc/91/06/16/824910616.db2.gz ICALEGBZFVLKSB-UWVGGRQHSA-N 2 1 264.329 -0.563 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@@H]1O ZINC001219902899 824911682 /nfs/dbraw/zinc/91/16/82/824911682.db2.gz NUJBYSULFMIIQQ-TUAOUCFPSA-N 2 1 287.404 -0.741 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001219902899 824911687 /nfs/dbraw/zinc/91/16/87/824911687.db2.gz NUJBYSULFMIIQQ-TUAOUCFPSA-N 2 1 287.404 -0.741 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001219902899 824911696 /nfs/dbraw/zinc/91/16/96/824911696.db2.gz NUJBYSULFMIIQQ-TUAOUCFPSA-N 2 1 287.404 -0.741 20 0 CBADMP C[NH+](C)CCCCCNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001219920211 824915341 /nfs/dbraw/zinc/91/53/41/824915341.db2.gz BMPAEZYFLNHSAE-AWEZNQCLSA-N 2 1 299.463 -0.415 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219934855 824916098 /nfs/dbraw/zinc/91/60/98/824916098.db2.gz QCXSZFHGZLZGLP-LBPRGKRZSA-N 3 1 265.361 -0.365 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219934854 824916931 /nfs/dbraw/zinc/91/69/31/824916931.db2.gz QCXSZFHGZLZGLP-GFCCVEGCSA-N 3 1 265.361 -0.365 20 0 CBADMP Cc1c[nH]c(CCNC(=O)C[NH2+]C2CC[NH2+]CC2)n1 ZINC001219951979 824920604 /nfs/dbraw/zinc/92/06/04/824920604.db2.gz KATJGWCWVDTHIP-UHFFFAOYSA-N 2 1 265.361 -0.282 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001219978592 824928261 /nfs/dbraw/zinc/92/82/61/824928261.db2.gz PIZXTPWWBXPPAJ-VXGBXAGGSA-N 3 1 256.394 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@]2(N)CC[NH2+]C2)C1 ZINC001219980518 824929075 /nfs/dbraw/zinc/92/90/75/824929075.db2.gz JYCPCJISJNKTKN-AAEUAGOBSA-N 2 1 254.378 -0.475 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001219978965 824929411 /nfs/dbraw/zinc/92/94/11/824929411.db2.gz WWSYWMRMYBHSCV-IPYPFGDCSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219978983 824929501 /nfs/dbraw/zinc/92/95/01/824929501.db2.gz XHLAGFXOHDLHRD-CHWSQXEVSA-N 3 1 280.416 -0.357 20 0 CBADMP CSCC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])C(C)(C)O ZINC001220145705 824967482 /nfs/dbraw/zinc/96/74/82/824967482.db2.gz NEGJFNHSOBAWBK-DTWKUNHWSA-N 2 1 263.407 -0.329 20 0 CBADMP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220045319 824944071 /nfs/dbraw/zinc/94/40/71/824944071.db2.gz VQIZULURNYFZJW-LBPRGKRZSA-N 2 1 289.383 -0.059 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220062229 824946627 /nfs/dbraw/zinc/94/66/27/824946627.db2.gz QUNQKTRADRBZBK-UPJWGTAASA-N 2 1 269.389 -0.053 20 0 CBADMP C[NH2+]CCNC(=O)c1ccncc1N1CC[NH+](C)CC1 ZINC001220057277 824946851 /nfs/dbraw/zinc/94/68/51/824946851.db2.gz DQZUQAPIOSABSL-UHFFFAOYSA-N 2 1 277.372 -0.217 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001220061670 824947234 /nfs/dbraw/zinc/94/72/34/824947234.db2.gz BRZYKXOOYCFNAN-AGIUHOORSA-N 2 1 268.405 -0.086 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220071886 824951537 /nfs/dbraw/zinc/95/15/37/824951537.db2.gz VZHPNJUICKOKEA-VHSXEESVSA-N 2 1 250.302 -0.831 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220071674 824952001 /nfs/dbraw/zinc/95/20/01/824952001.db2.gz MXTNJPSAIHKPGL-SNVBAGLBSA-N 2 1 294.359 -0.636 20 0 CBADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103328 824955441 /nfs/dbraw/zinc/95/54/41/824955441.db2.gz OGEOUAGIQPFZKS-NSHDSACASA-N 4 1 286.424 -0.493 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1ccc(O)cc1 ZINC001220117280 824960709 /nfs/dbraw/zinc/96/07/09/824960709.db2.gz FWDVDQRHWAUKSE-PWSUYJOCSA-N 2 1 267.329 -0.912 20 0 CBADMP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1COC[NH2+]1 ZINC001220159375 824972707 /nfs/dbraw/zinc/97/27/07/824972707.db2.gz OCLQLBFOPBQWGA-MDZLAQPJSA-N 2 1 253.346 -0.029 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1 ZINC001220157178 824973387 /nfs/dbraw/zinc/97/33/87/824973387.db2.gz ZOWCXCLYVSFSHI-ZDEQEGDKSA-N 2 1 267.373 -0.036 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001220161582 824974894 /nfs/dbraw/zinc/97/48/94/824974894.db2.gz DHKMWSDXOKYIHI-NRWUCQMLSA-N 2 1 266.389 -0.286 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001220159428 824975291 /nfs/dbraw/zinc/97/52/91/824975291.db2.gz OJXDFYRMWZCPPG-LBPRGKRZSA-N 2 1 282.388 -0.465 20 0 CBADMP Cc1ncc(CNC(=O)C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001220176612 824977441 /nfs/dbraw/zinc/97/74/41/824977441.db2.gz ISTQXBMUNPHGAG-UHFFFAOYSA-N 2 1 263.345 -0.257 20 0 CBADMP COCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001220200914 824986776 /nfs/dbraw/zinc/98/67/76/824986776.db2.gz ZHDPAIFHRJLHGQ-LBPRGKRZSA-N 3 1 272.393 -0.720 20 0 CBADMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCc1nnc[nH]1 ZINC001220250322 824994568 /nfs/dbraw/zinc/99/45/68/824994568.db2.gz WSYHFTSVUJNERV-JTQLQIEISA-N 2 1 268.365 -0.084 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)C1(N)CC[NH2+]CC1 ZINC001220252382 824995717 /nfs/dbraw/zinc/99/57/17/824995717.db2.gz YLRAQBXHAUYQEI-NSHDSACASA-N 2 1 254.378 -0.332 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001220252389 824997041 /nfs/dbraw/zinc/99/70/41/824997041.db2.gz YXJVSHBLVXBNLU-LIBAHTEVSA-N 2 1 275.418 -0.317 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@H]1CCc2n[nH]cc2C1 ZINC001220260691 824998127 /nfs/dbraw/zinc/99/81/27/824998127.db2.gz DJYWEIQHTYXUOC-LBPRGKRZSA-N 2 1 277.372 -0.275 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC1CCN(C(=O)C2CCCC2)CC1 ZINC001220263733 825000005 /nfs/dbraw/zinc/00/00/05/825000005.db2.gz WBVRDIVIMZSTGO-ZDUSSCGKSA-N 2 1 296.415 -0.040 20 0 CBADMP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220274888 825003499 /nfs/dbraw/zinc/00/34/99/825003499.db2.gz HSVXOQFPTVBMFH-TUAOUCFPSA-N 2 1 273.377 -0.866 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220276507 825003832 /nfs/dbraw/zinc/00/38/32/825003832.db2.gz CUHIAOKAMZRULM-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277355 825005382 /nfs/dbraw/zinc/00/53/82/825005382.db2.gz XUZNFKQZQAEAMD-TUAOUCFPSA-N 2 1 275.368 -0.153 20 0 CBADMP CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277355 825005386 /nfs/dbraw/zinc/00/53/86/825005386.db2.gz XUZNFKQZQAEAMD-TUAOUCFPSA-N 2 1 275.368 -0.153 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001220277305 825005713 /nfs/dbraw/zinc/00/57/13/825005713.db2.gz VJFPIXXYJGCHRA-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)c1cnn(C)c1 ZINC001220309126 825012893 /nfs/dbraw/zinc/01/28/93/825012893.db2.gz USYMVYVLOASZAN-JTQLQIEISA-N 2 1 265.361 -0.061 20 0 CBADMP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1COCC[NH2+]1 ZINC001220319682 825013564 /nfs/dbraw/zinc/01/35/64/825013564.db2.gz IIKSXKSAVCNYMX-GVXVVHGQSA-N 2 1 269.345 -0.998 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316892 825013826 /nfs/dbraw/zinc/01/38/26/825013826.db2.gz UMJBYDSKNMAEMN-OBJOEFQTSA-N 2 1 293.371 -0.693 20 0 CBADMP O=C(NCc1c[nH]nn1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220329703 825016357 /nfs/dbraw/zinc/01/63/57/825016357.db2.gz XTXGLKXXHBKDIM-JTQLQIEISA-N 2 1 264.333 -0.705 20 0 CBADMP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1ccc2[nH]nnc2c1 ZINC001220424803 825037363 /nfs/dbraw/zinc/03/73/63/825037363.db2.gz VBVUHZQRQAZYTR-SECBINFHSA-N 2 1 262.317 -0.360 20 0 CBADMP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1ccc2nn[nH]c2c1 ZINC001220424803 825037366 /nfs/dbraw/zinc/03/73/66/825037366.db2.gz VBVUHZQRQAZYTR-SECBINFHSA-N 2 1 262.317 -0.360 20 0 CBADMP O=C(NC1CC[NH+](CCF)CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220435356 825039194 /nfs/dbraw/zinc/03/91/94/825039194.db2.gz HFXMJNUJUPLDFE-LBPRGKRZSA-N 3 1 284.379 -0.655 20 0 CBADMP Cn1cc(-c2cc(CNC(=O)[C@@H]([NH3+])CC[NH3+])ccn2)cn1 ZINC001220454509 825041586 /nfs/dbraw/zinc/04/15/86/825041586.db2.gz YDMNIZABPMTMQN-LBPRGKRZSA-N 2 1 288.355 -0.226 20 0 CBADMP COC(C)(CNC(=O)C[NH2+]C1CC[NH2+]CC1)OC ZINC001220508891 825052475 /nfs/dbraw/zinc/05/24/75/825052475.db2.gz BSUWPGCTAUMHJB-UHFFFAOYSA-N 2 1 259.350 -0.547 20 0 CBADMP CN(CC[NH3+])CCNC(=O)c1ccc([C@H]([NH3+])CN)cc1 ZINC001220517443 825053823 /nfs/dbraw/zinc/05/38/23/825053823.db2.gz LUJGQARPPRPCIR-CYBMUJFWSA-N 2 1 279.388 -0.735 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1O ZINC001220584738 825070920 /nfs/dbraw/zinc/07/09/20/825070920.db2.gz HOZLSUBOHYBHIW-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637966 825079200 /nfs/dbraw/zinc/07/92/00/825079200.db2.gz PZEGICLJFICTMY-OLZOCXBDSA-N 2 1 285.388 -0.722 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220681251 825085423 /nfs/dbraw/zinc/08/54/23/825085423.db2.gz FQMKWQZBWLLKNJ-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)(CC(=O)N1CCCC1)NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220687281 825087348 /nfs/dbraw/zinc/08/73/48/825087348.db2.gz LJDBEPHQHUARHK-JTQLQIEISA-N 2 1 270.377 -0.430 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)C[C@H](O)C[NH3+])C2 ZINC001220716620 825093873 /nfs/dbraw/zinc/09/38/73/825093873.db2.gz MHLFKELRNYRLRC-YFKTTZPYSA-N 2 1 255.362 -0.172 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1N)C2 ZINC001220717064 825094511 /nfs/dbraw/zinc/09/45/11/825094511.db2.gz YILGPWKFKRUYAI-WJTVCTBASA-N 2 1 266.389 -0.335 20 0 CBADMP CC(=O)NC[C@@H](C)CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220757137 825096732 /nfs/dbraw/zinc/09/67/32/825096732.db2.gz VHHPRMVGQHREGX-SNVBAGLBSA-N 2 1 270.377 -0.784 20 0 CBADMP CC(=O)NCCCCCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220759178 825098188 /nfs/dbraw/zinc/09/81/88/825098188.db2.gz RMNDGOLVCGIFCV-UHFFFAOYSA-N 2 1 284.404 -0.249 20 0 CBADMP CCCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764316 825099342 /nfs/dbraw/zinc/09/93/42/825099342.db2.gz GSVHSWWNCIFTAF-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764330 825099385 /nfs/dbraw/zinc/09/93/85/825099385.db2.gz HHBUPXGMNMKCEW-NEPJUHHUSA-N 2 1 273.377 -0.866 20 0 CBADMP O=C(NC[C@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1COC[NH2+]1 ZINC001220785933 825101039 /nfs/dbraw/zinc/10/10/39/825101039.db2.gz HAXZDAZZHGDRLI-AGIUHOORSA-N 2 1 276.340 -0.206 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001220779521 825101396 /nfs/dbraw/zinc/10/13/96/825101396.db2.gz USMJXAZETSCQBI-DNIRFERGSA-N 2 1 252.362 -0.404 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CC[NH2+][C@H]2c2cccnc2)C1 ZINC001220788594 825102090 /nfs/dbraw/zinc/10/20/90/825102090.db2.gz FHEMOSDFFAZQHA-XUXIUFHCSA-N 2 1 289.383 -0.462 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220788452 825102321 /nfs/dbraw/zinc/10/23/21/825102321.db2.gz DZWNFVNRFMVLOL-AGIUHOORSA-N 3 1 277.372 -0.476 20 0 CBADMP O=C(NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1COCC[NH2+]1 ZINC001220791428 825102590 /nfs/dbraw/zinc/10/25/90/825102590.db2.gz YBFNAPITYGJEIM-HZSPNIEDSA-N 2 1 290.367 -0.163 20 0 CBADMP COC(=O)c1cncc(CNC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001220843170 825110934 /nfs/dbraw/zinc/11/09/34/825110934.db2.gz MHABUIPAGYNALT-JTQLQIEISA-N 2 1 266.301 -0.840 20 0 CBADMP [NH3+][C@@H](CC1CCC1)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874453 825118659 /nfs/dbraw/zinc/11/86/59/825118659.db2.gz JKGQEVQFIOAAMT-NSHDSACASA-N 2 1 268.361 -0.948 20 0 CBADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220884370 825119909 /nfs/dbraw/zinc/11/99/09/825119909.db2.gz APJNGKCXBMGUMX-CHWSQXEVSA-N 3 1 296.415 -0.693 20 0 CBADMP CN1C[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220884370 825119911 /nfs/dbraw/zinc/11/99/11/825119911.db2.gz APJNGKCXBMGUMX-CHWSQXEVSA-N 2 1 296.415 -0.693 20 0 CBADMP O=C(N[C@H]1CC[N@H+](Cc2cccnc2)C1)[C@@H]1C[NH2+]CCN1 ZINC001220914955 825123844 /nfs/dbraw/zinc/12/38/44/825123844.db2.gz HSSSYBQDQFERHK-KBPBESRZSA-N 2 1 289.383 -0.667 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](Cc2cccnc2)C1)[C@@H]1C[NH2+]CCN1 ZINC001220914955 825123845 /nfs/dbraw/zinc/12/38/45/825123845.db2.gz HSSSYBQDQFERHK-KBPBESRZSA-N 2 1 289.383 -0.667 20 0 CBADMP Cc1noc(C2(NC(=O)C[NH2+]C3CC[NH2+]CC3)CC2)n1 ZINC001220931756 825124455 /nfs/dbraw/zinc/12/44/55/825124455.db2.gz AMLDGIZHAOKYQU-UHFFFAOYSA-N 2 1 279.344 -0.175 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001220920674 825124831 /nfs/dbraw/zinc/12/48/31/825124831.db2.gz JIGBEIFLWHYBDS-NEPJUHHUSA-N 2 1 291.355 -0.912 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC001220933817 825125836 /nfs/dbraw/zinc/12/58/36/825125836.db2.gz AYMBWRACHGFIIH-MNOVXSKESA-N 2 1 263.345 -0.547 20 0 CBADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976022 825130538 /nfs/dbraw/zinc/13/05/38/825130538.db2.gz GGJHHGWKHGZFAO-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976022 825130542 /nfs/dbraw/zinc/13/05/42/825130542.db2.gz GGJHHGWKHGZFAO-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976022 825130548 /nfs/dbraw/zinc/13/05/48/825130548.db2.gz GGJHHGWKHGZFAO-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073141 825141448 /nfs/dbraw/zinc/14/14/48/825141448.db2.gz HYJNUFHVXYZUNV-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091384 825142743 /nfs/dbraw/zinc/14/27/43/825142743.db2.gz MNHNLLYXFCWOJS-UPJWGTAASA-N 2 1 287.404 -0.477 20 0 CBADMP COC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091384 825142746 /nfs/dbraw/zinc/14/27/46/825142746.db2.gz MNHNLLYXFCWOJS-UPJWGTAASA-N 2 1 287.404 -0.477 20 0 CBADMP COC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091384 825142748 /nfs/dbraw/zinc/14/27/48/825142748.db2.gz MNHNLLYXFCWOJS-UPJWGTAASA-N 2 1 287.404 -0.477 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1O ZINC001221091178 825144006 /nfs/dbraw/zinc/14/40/06/825144006.db2.gz DWRMQPUODDTVBZ-NEPJUHHUSA-N 2 1 257.378 -0.104 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1O ZINC001221091178 825144009 /nfs/dbraw/zinc/14/40/09/825144009.db2.gz DWRMQPUODDTVBZ-NEPJUHHUSA-N 2 1 257.378 -0.104 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1O ZINC001221091178 825144011 /nfs/dbraw/zinc/14/40/11/825144011.db2.gz DWRMQPUODDTVBZ-NEPJUHHUSA-N 2 1 257.378 -0.104 20 0 CBADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221158703 825148298 /nfs/dbraw/zinc/14/82/98/825148298.db2.gz SOBNEPANIHDWHN-KGLIPLIRSA-N 2 1 299.415 -0.594 20 0 CBADMP COCC1(CNC(=O)[C@@H]([NH3+])CC[NH3+])CCOCC1 ZINC001221176640 825150010 /nfs/dbraw/zinc/15/00/10/825150010.db2.gz HVJCQAQAGOXTMI-JTQLQIEISA-N 2 1 259.350 -0.778 20 0 CBADMP COC(=O)[C@H](CCC[NH3+])NC(=O)c1cnc(C[NH3+])s1 ZINC001221190185 825151910 /nfs/dbraw/zinc/15/19/10/825151910.db2.gz DJHIVEBRESHQRB-ZETCQYMHSA-N 2 1 286.357 -0.388 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCCc1ccc(CO)cc1 ZINC001221192357 825153336 /nfs/dbraw/zinc/15/33/36/825153336.db2.gz ORMFSBQEEANAAI-LBPRGKRZSA-N 2 1 251.330 -0.486 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001221241123 825158211 /nfs/dbraw/zinc/15/82/11/825158211.db2.gz OMRCXGRKAHFPMY-FMSGJZPZSA-N 2 1 266.389 -0.463 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)C2(N)CC[NH2+]CC2)C1 ZINC001221240846 825158961 /nfs/dbraw/zinc/15/89/61/825158961.db2.gz FPVUTXVIZSXDBL-LBPRGKRZSA-N 2 1 254.378 -0.332 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221244015 825160240 /nfs/dbraw/zinc/16/02/40/825160240.db2.gz OTYICEIHWCEICA-GXTWGEPZSA-N 3 1 268.405 -0.086 20 0 CBADMP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1COC[NH2+]1 ZINC001221333993 825172167 /nfs/dbraw/zinc/17/21/67/825172167.db2.gz WTFGOWGTXHHYNV-STQMWFEESA-N 2 1 261.325 -0.156 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221332762 825172694 /nfs/dbraw/zinc/17/26/94/825172694.db2.gz MIEQBRBHSIZYLI-STQMWFEESA-N 3 1 262.357 -0.425 20 0 CBADMP COC(=O)c1ccc([C@H](CO)NC(=O)[C@@H]([NH3+])CC[NH3+])cc1 ZINC001221365857 825175910 /nfs/dbraw/zinc/17/59/10/825175910.db2.gz KEWUIKLXBADZCD-RYUDHWBXSA-N 2 1 295.339 -0.701 20 0 CBADMP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001221358826 825176498 /nfs/dbraw/zinc/17/64/98/825176498.db2.gz ROIRYVHKALAILO-IUODEOHRSA-N 2 1 298.431 -0.460 20 0 CBADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1COC[NH2+]1 ZINC001221396780 825181172 /nfs/dbraw/zinc/18/11/72/825181172.db2.gz ARPQTVDAZFCCLU-STQMWFEESA-N 2 1 261.325 -0.237 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221407663 825184315 /nfs/dbraw/zinc/18/43/15/825184315.db2.gz CWGLPPQUOKKXFL-WCQYABFASA-N 2 1 283.372 -0.229 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789272 825194746 /nfs/dbraw/zinc/19/47/46/825194746.db2.gz NGKATJWSUROUNK-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789272 825194748 /nfs/dbraw/zinc/19/47/48/825194748.db2.gz NGKATJWSUROUNK-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950687 825196778 /nfs/dbraw/zinc/19/67/78/825196778.db2.gz SXXRPHYGMAOGFP-MGPQQGTHSA-N 2 1 299.415 -0.522 20 0 CBADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001221920587 825198224 /nfs/dbraw/zinc/19/82/24/825198224.db2.gz MGWRSPZALXVVAO-JHJVBQTASA-N 2 1 296.415 -0.265 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001221920587 825198229 /nfs/dbraw/zinc/19/82/29/825198229.db2.gz MGWRSPZALXVVAO-JHJVBQTASA-N 2 1 296.415 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001221920587 825198233 /nfs/dbraw/zinc/19/82/33/825198233.db2.gz MGWRSPZALXVVAO-JHJVBQTASA-N 2 1 296.415 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001221920587 825198238 /nfs/dbraw/zinc/19/82/38/825198238.db2.gz MGWRSPZALXVVAO-JHJVBQTASA-N 2 1 296.415 -0.265 20 0 CBADMP CCOC(=O)CC[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085614 825198971 /nfs/dbraw/zinc/19/89/71/825198971.db2.gz FHJCSAFWIBJPSK-UHFFFAOYSA-N 2 1 255.362 -0.033 20 0 CBADMP C([C@H]1CNCCO1)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222086233 825199252 /nfs/dbraw/zinc/19/92/52/825199252.db2.gz UMQKREDDIRQJPT-GFCCVEGCSA-N 2 1 254.378 -0.998 20 0 CBADMP C([C@H]1C[NH2+]CCO1)N1CCNC2(CC[NH2+]CC2)C1 ZINC001222086233 825199257 /nfs/dbraw/zinc/19/92/57/825199257.db2.gz UMQKREDDIRQJPT-GFCCVEGCSA-N 2 1 254.378 -0.998 20 0 CBADMP O=C1N=CNC(=O)C1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222094770 825201143 /nfs/dbraw/zinc/20/11/43/825201143.db2.gz KHMBPFYGOJMNRO-UHFFFAOYSA-N 2 1 279.344 -0.585 20 0 CBADMP C([C@H]1C[NH2+]CCO1)N1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492513 825211658 /nfs/dbraw/zinc/21/16/58/825211658.db2.gz ZANBROPZWWBHQR-AGIUHOORSA-N 3 1 254.378 -0.999 20 0 CBADMP [NH3+]C12CC(C[N@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)(C1)C2 ZINC001222492006 825211604 /nfs/dbraw/zinc/21/16/04/825211604.db2.gz MXCYPHNSWVFOLG-FEPKRQSRSA-N 3 1 250.390 -0.106 20 0 CBADMP [NH3+]CCCC[N@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222520314 825213745 /nfs/dbraw/zinc/21/37/45/825213745.db2.gz FLIMARVGQQXHOI-ZDUSSCGKSA-N 3 1 252.362 -0.863 20 0 CBADMP Nc1[nH]cc(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)[nH+]1 ZINC001222514999 825214097 /nfs/dbraw/zinc/21/40/97/825214097.db2.gz HXAGLCIVUIGDAZ-QWRGUYRKSA-N 2 1 250.350 -0.482 20 0 CBADMP Nc1[nH]c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c[nH+]1 ZINC001222514999 825214107 /nfs/dbraw/zinc/21/41/07/825214107.db2.gz HXAGLCIVUIGDAZ-QWRGUYRKSA-N 3 1 250.350 -0.482 20 0 CBADMP Cn1nncc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222511205 825214595 /nfs/dbraw/zinc/21/45/95/825214595.db2.gz TXEGRPZUEKWGHJ-RYUDHWBXSA-N 2 1 250.350 -0.659 20 0 CBADMP C(CN1CCNC[C@]2(CCCC[NH2+]2)C1)[C@H]1C[NH2+]CCO1 ZINC001222668862 825219874 /nfs/dbraw/zinc/21/98/74/825219874.db2.gz NWNFICPIFGIDQI-LSDHHAIUSA-N 2 1 282.432 -0.218 20 0 CBADMP C(CN1CCNC[C@@]2(CCCC[NH2+]2)C1)[C@@H]1C[NH2+]CCO1 ZINC001222668848 825219976 /nfs/dbraw/zinc/21/99/76/825219976.db2.gz NWNFICPIFGIDQI-CABCVRRESA-N 2 1 282.432 -0.218 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001225228801 825255270 /nfs/dbraw/zinc/25/52/70/825255270.db2.gz ZBOFFKDTMRIODJ-UHFFFAOYSA-N 2 1 284.404 -0.358 20 0 CBADMP CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001226554802 825280029 /nfs/dbraw/zinc/28/00/29/825280029.db2.gz QNSWLWDUMRLHAY-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001226554802 825280035 /nfs/dbraw/zinc/28/00/35/825280035.db2.gz QNSWLWDUMRLHAY-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227797314 825307951 /nfs/dbraw/zinc/30/79/51/825307951.db2.gz HAJLVZOTSOZYJY-ZWNOBZJWSA-N 2 1 296.415 -0.219 20 0 CBADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)C1CC1 ZINC001227818095 825309199 /nfs/dbraw/zinc/30/91/99/825309199.db2.gz QKFGFJKZWITRFH-ZDUSSCGKSA-N 2 1 282.388 -0.608 20 0 CBADMP C[NH+](C)CCCC(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001228889304 825323881 /nfs/dbraw/zinc/32/38/81/825323881.db2.gz YJORHIHWOJTQHN-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001228888747 825324161 /nfs/dbraw/zinc/32/41/61/825324161.db2.gz LJMVSLXIWDUTRF-NSHDSACASA-N 2 1 296.415 -0.217 20 0 CBADMP CC[NH+](CC)CC(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001229663887 825334421 /nfs/dbraw/zinc/33/44/21/825334421.db2.gz JCWINAWPIWGCIF-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](CCO)CC1 ZINC001230366837 825346063 /nfs/dbraw/zinc/34/60/63/825346063.db2.gz KJJDDVTZWYKAPQ-UHFFFAOYSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001230284823 825346206 /nfs/dbraw/zinc/34/62/06/825346206.db2.gz WLAWZRKVTVHVHH-VXGBXAGGSA-N 2 1 284.404 -0.171 20 0 CBADMP COCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001231369384 825405982 /nfs/dbraw/zinc/40/59/82/825405982.db2.gz SIKDFCLELYXGQT-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231369384 825405987 /nfs/dbraw/zinc/40/59/87/825405987.db2.gz SIKDFCLELYXGQT-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231369384 825405990 /nfs/dbraw/zinc/40/59/90/825405990.db2.gz SIKDFCLELYXGQT-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001231369384 825405998 /nfs/dbraw/zinc/40/59/98/825405998.db2.gz SIKDFCLELYXGQT-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP CCOCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001231369821 825406263 /nfs/dbraw/zinc/40/62/63/825406263.db2.gz WLBWKQUXYRQXDB-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CC1(C[N@H+]2CCN3CCNC[C@@H]3C2)CC[NH2+]CC1 ZINC001234976600 825478907 /nfs/dbraw/zinc/47/89/07/825478907.db2.gz VNOIXRSULAMYHO-CYBMUJFWSA-N 2 1 252.406 -0.035 20 0 CBADMP CC1(CN2CCN3CC[NH2+]C[C@@H]3C2)CC[NH2+]CC1 ZINC001234976600 825478914 /nfs/dbraw/zinc/47/89/14/825478914.db2.gz VNOIXRSULAMYHO-CYBMUJFWSA-N 2 1 252.406 -0.035 20 0 CBADMP COC(=O)c1cnc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cn1 ZINC001234987133 825479781 /nfs/dbraw/zinc/47/97/81/825479781.db2.gz GDWLQSCLMNTAEJ-CQSZACIVSA-N 2 1 291.355 -0.600 20 0 CBADMP COc1ncc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(OC)n1 ZINC001234989045 825479854 /nfs/dbraw/zinc/47/98/54/825479854.db2.gz SDEHBSLHDKEZLR-AWEZNQCLSA-N 2 1 293.371 -0.369 20 0 CBADMP c1cc2n(c1CN1CC[NH2+]C[C@@]13CC[NH2+]C3)CC[NH2+]C2 ZINC001234990211 825480467 /nfs/dbraw/zinc/48/04/67/825480467.db2.gz UZYXOZNKLMNNGC-HNNXBMFYSA-N 3 1 275.400 -0.271 20 0 CBADMP CC(=O)N1CCC[C@@H](CN2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001234983118 825480612 /nfs/dbraw/zinc/48/06/12/825480612.db2.gz XXGVVVSQAJHSKC-HUUCEWRRSA-N 2 1 280.416 -0.118 20 0 CBADMP FC1(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC001234978992 825480916 /nfs/dbraw/zinc/48/09/16/825480916.db2.gz CNKFRAHNQIVBFB-ZDUSSCGKSA-N 3 1 256.369 -0.285 20 0 CBADMP COc1cnc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cn1 ZINC001234988082 825481086 /nfs/dbraw/zinc/48/10/86/825481086.db2.gz KPYVQMPVOWTRHP-CYBMUJFWSA-N 2 1 263.345 -0.378 20 0 CBADMP C[N@H+]1CCC[C@H](CN2CCNC[C@@]23CC[NH2+]C3)C1 ZINC001234982549 825481179 /nfs/dbraw/zinc/48/11/79/825481179.db2.gz UUFVTJFXFGQOSE-KBPBESRZSA-N 2 1 252.406 -0.035 20 0 CBADMP C[N@@H+]1CCC[C@H](CN2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001234982549 825481183 /nfs/dbraw/zinc/48/11/83/825481183.db2.gz UUFVTJFXFGQOSE-KBPBESRZSA-N 3 1 252.406 -0.035 20 0 CBADMP C[N@H+]1CCC[C@H](CN2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001234982549 825481189 /nfs/dbraw/zinc/48/11/89/825481189.db2.gz UUFVTJFXFGQOSE-KBPBESRZSA-N 3 1 252.406 -0.035 20 0 CBADMP c1nc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cn1-c1cnccn1 ZINC001234995442 825482007 /nfs/dbraw/zinc/48/20/07/825482007.db2.gz XBJSGTLFYHALJJ-OAHLLOKOSA-N 2 1 299.382 -0.200 20 0 CBADMP C(CC1OCCO1)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235050021 825483842 /nfs/dbraw/zinc/48/38/42/825483842.db2.gz BKJUZMHWSFHVKY-CYBMUJFWSA-N 2 1 255.362 -0.223 20 0 CBADMP C(CC1OCCO1)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235050021 825483844 /nfs/dbraw/zinc/48/38/44/825483844.db2.gz BKJUZMHWSFHVKY-CYBMUJFWSA-N 2 1 255.362 -0.223 20 0 CBADMP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2CCCC[NH3+])O1 ZINC001235498271 825498876 /nfs/dbraw/zinc/49/88/76/825498876.db2.gz OTWLDKMKOYMVFD-UPJWGTAASA-N 2 1 285.388 -0.280 20 0 CBADMP COC(=O)C1([NH3+])CCN(C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235830024 825515449 /nfs/dbraw/zinc/51/54/49/825515449.db2.gz ZIGKVNFKTDKDMU-JTQLQIEISA-N 2 1 271.361 -0.323 20 0 CBADMP [NH3+]CCCCCCN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868936 825515457 /nfs/dbraw/zinc/51/54/57/825515457.db2.gz HHSMYGNWFRWABR-UHFFFAOYSA-N 3 1 271.453 -0.410 20 0 CBADMP c1cnn(CCC[NH+]2CCNCC[NH2+]CCNCC2)c1 ZINC001235871015 825516759 /nfs/dbraw/zinc/51/67/59/825516759.db2.gz QZJOPPQOZSPCHL-UHFFFAOYSA-N 2 1 280.420 -0.642 20 0 CBADMP 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 825517961 /nfs/dbraw/zinc/51/79/61/825517961.db2.gz BPOVALSXBGVQPP-PRFQISJJSA-N 2 1 298.383 -0.235 20 0 CBADMP 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 825517971 /nfs/dbraw/zinc/51/79/71/825517971.db2.gz BPOVALSXBGVQPP-IIEFLBBWSA-N 2 1 298.383 -0.235 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](CCCCO)CCC1=O ZINC001235961364 825518374 /nfs/dbraw/zinc/51/83/74/825518374.db2.gz ACMKBCVPTIZJSH-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@@H]3CC[NH2+]3)C[C@H]1C2 ZINC001236021756 825519654 /nfs/dbraw/zinc/51/96/54/825519654.db2.gz IHMFUADDNMUEFT-KDBYPZKRSA-N 3 1 279.384 -0.321 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@@H]3CC[NH2+]3)C[C@H]1C2 ZINC001236021756 825519656 /nfs/dbraw/zinc/51/96/56/825519656.db2.gz IHMFUADDNMUEFT-KDBYPZKRSA-N 3 1 279.384 -0.321 20 0 CBADMP CCOC(=O)[C@]12C[N@H+](CCCO)C[C@H]1C[NH2+]CC2 ZINC001236037279 825519910 /nfs/dbraw/zinc/51/99/10/825519910.db2.gz FLQSNQGPGYKBQF-DGCLKSJQSA-N 2 1 256.346 -0.157 20 0 CBADMP CCOC(=O)[C@]12C[N@@H+](CCCO)C[C@H]1C[NH2+]CC2 ZINC001236037279 825519916 /nfs/dbraw/zinc/51/99/16/825519916.db2.gz FLQSNQGPGYKBQF-DGCLKSJQSA-N 2 1 256.346 -0.157 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1c[nH+]c(C)n1C ZINC001236193161 825522676 /nfs/dbraw/zinc/52/26/76/825522676.db2.gz AKSQRBVPIYMVHK-KOLCDFICSA-N 2 1 252.318 -0.197 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C[C@H]1CCC[N@@H+](C)C1 ZINC001236195319 825523337 /nfs/dbraw/zinc/52/33/37/825523337.db2.gz HEXPIDZVCFKMBJ-TUAOUCFPSA-N 2 1 255.362 -0.097 20 0 CBADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])CC1CC[NH2+]CC1 ZINC001236309901 825527009 /nfs/dbraw/zinc/52/70/09/825527009.db2.gz PDGHGIHYIALJIH-UHFFFAOYSA-N 4 1 285.436 -0.898 20 0 CBADMP [NH3+]CCCNC(=O)CN(CCC[NH3+])CC1CC[NH2+]CC1 ZINC001236309901 825527013 /nfs/dbraw/zinc/52/70/13/825527013.db2.gz PDGHGIHYIALJIH-UHFFFAOYSA-N 3 1 285.436 -0.898 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](CCC23CC([NH3+])(C2)C3)C[C@H]1N ZINC001236343234 825528349 /nfs/dbraw/zinc/52/83/49/825528349.db2.gz OYHGDFCTJZEXRQ-YSARLGLZSA-N 2 1 253.346 -0.310 20 0 CBADMP COC(=O)[C@H]1CN(CCC23CC([NH3+])(C2)C3)C[C@H]1[NH3+] ZINC001236343234 825528354 /nfs/dbraw/zinc/52/83/54/825528354.db2.gz OYHGDFCTJZEXRQ-YSARLGLZSA-N 2 1 253.346 -0.310 20 0 CBADMP COC(=O)[C@@H]1CN(Cc2[nH]c(C)[nH+]c2C)C[C@H]1[NH3+] ZINC001236363160 825532358 /nfs/dbraw/zinc/53/23/58/825532358.db2.gz ZPSFLMOTOJFNMF-NXEZZACHSA-N 2 1 252.318 -0.041 20 0 CBADMP [NH3+]CCS(=O)(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001238312977 825550824 /nfs/dbraw/zinc/55/08/24/825550824.db2.gz NGFKMZJWRFAXAN-QMMMGPOBSA-N 2 1 261.372 -0.230 20 0 CBADMP CCCC[N@@H+](CC)CCNS(=O)(=O)CC[NH3+] ZINC001238367462 825553722 /nfs/dbraw/zinc/55/37/22/825553722.db2.gz NRPWWBCSKIDPTB-UHFFFAOYSA-N 2 1 251.396 -0.014 20 0 CBADMP [NH3+]CCS(=O)(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001238806933 825563980 /nfs/dbraw/zinc/56/39/80/825563980.db2.gz AVLILBMSCXJONH-UHFFFAOYSA-N 2 1 298.412 -0.076 20 0 CBADMP [NH3+]CCS(=O)(=O)NCC[C@@H]1CC[NH2+]CC1(F)F ZINC001238897525 825569116 /nfs/dbraw/zinc/56/91/16/825569116.db2.gz LYHVRUOCLIMUBP-QMMMGPOBSA-N 2 1 271.333 -0.501 20 0 CBADMP C[NH+](C)C1(C)CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239096450 825586546 /nfs/dbraw/zinc/58/65/46/825586546.db2.gz FFLWWOBHSAYZJO-UHFFFAOYSA-N 2 1 275.418 -0.048 20 0 CBADMP [NH3+]CCS(=O)(=O)N1CCC([NH+]2CCC([NH3+])CC2)CC1 ZINC001239159314 825594834 /nfs/dbraw/zinc/59/48/34/825594834.db2.gz WQRJSQSVHVUYND-UHFFFAOYSA-N 3 1 290.433 -0.838 20 0 CBADMP COCCCC[NH+]1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001239167645 825595062 /nfs/dbraw/zinc/59/50/62/825595062.db2.gz RXSHPTYHTJYUDB-UHFFFAOYSA-N 2 1 279.406 -0.681 20 0 CBADMP CCCOC[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001245982450 825616002 /nfs/dbraw/zinc/61/60/02/825616002.db2.gz PJIYXLQMFPAVMJ-AGIUHOORSA-N 2 1 288.388 -0.095 20 0 CBADMP [NH3+]C1(C[NH2+]C[C@@H](O)CN2CCOCC2)CCCC1 ZINC001245971643 825616026 /nfs/dbraw/zinc/61/60/26/825616026.db2.gz BOWAYSDFXOZVOJ-GFCCVEGCSA-N 2 1 257.378 -0.459 20 0 CBADMP CCCOC[C@@H](O)C[NH2+]Cc1nnc2n1CCC[NH2+]C2 ZINC001245983636 825618086 /nfs/dbraw/zinc/61/80/86/825618086.db2.gz HAGAHBYAAUGOAL-NSHDSACASA-N 2 1 283.376 -0.352 20 0 CBADMP OCCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CC23C[NH2+]C3)cc1 ZINC001246011951 825621415 /nfs/dbraw/zinc/62/14/15/825621415.db2.gz ZYWHFUOEMWWYQJ-ZFWWWQNUSA-N 2 1 292.379 -0.087 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCC1(F)F ZINC001246018537 825622064 /nfs/dbraw/zinc/62/20/64/825622064.db2.gz DULGGMRDOLTKNT-RYUDHWBXSA-N 2 1 293.358 -0.405 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCC1(F)F ZINC001246018537 825622067 /nfs/dbraw/zinc/62/20/67/825622067.db2.gz DULGGMRDOLTKNT-RYUDHWBXSA-N 2 1 293.358 -0.405 20 0 CBADMP COc1cccc(OC[C@@H](O)C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001246020206 825622666 /nfs/dbraw/zinc/62/26/66/825622666.db2.gz IJSJXFBMWXZUSD-HUBLWGQQSA-N 2 1 296.367 -0.314 20 0 CBADMP COc1cccc(OC[C@@H](O)C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001246020206 825622671 /nfs/dbraw/zinc/62/26/71/825622671.db2.gz IJSJXFBMWXZUSD-HUBLWGQQSA-N 2 1 296.367 -0.314 20 0 CBADMP CC(C)OC[C@@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021281 825623735 /nfs/dbraw/zinc/62/37/35/825623735.db2.gz FJJOWOCHLGYUEH-IHRRRGAJSA-N 2 1 271.405 -0.202 20 0 CBADMP CCCOC[C@@H](O)C[N@@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246024202 825624590 /nfs/dbraw/zinc/62/45/90/825624590.db2.gz PCOZBHLJQHHTEX-LBPRGKRZSA-N 2 1 285.388 -0.672 20 0 CBADMP CCCOC[C@@H](O)C[N@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246024202 825624595 /nfs/dbraw/zinc/62/45/95/825624595.db2.gz PCOZBHLJQHHTEX-LBPRGKRZSA-N 2 1 285.388 -0.672 20 0 CBADMP Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246025980 825625577 /nfs/dbraw/zinc/62/55/77/825625577.db2.gz YPAMSXVBWCKPBK-BFHYXJOUSA-N 2 1 280.368 -0.014 20 0 CBADMP Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246025980 825625579 /nfs/dbraw/zinc/62/55/79/825625579.db2.gz YPAMSXVBWCKPBK-BFHYXJOUSA-N 2 1 280.368 -0.014 20 0 CBADMP CC(C)(C)OC(=O)[C@H](O)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246025946 825625810 /nfs/dbraw/zinc/62/58/10/825625810.db2.gz HKNTUQHMPHIXSR-BXUZGUMPSA-N 2 1 285.388 -0.674 20 0 CBADMP O[C@]1(CN2CCNC[C@@]3(CCCC[NH2+]3)C2)CCC[NH2+]C1 ZINC001246026738 825626023 /nfs/dbraw/zinc/62/60/23/825626023.db2.gz ITMKHFLUOSVELV-LSDHHAIUSA-N 2 1 282.432 -0.482 20 0 CBADMP CC(C)OC[C@H](O)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246027928 825626417 /nfs/dbraw/zinc/62/64/17/825626417.db2.gz YXQPSVPBMUQPTM-OLZOCXBDSA-N 2 1 260.378 -0.052 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)CC[C@@H]1F ZINC001246025556 825626486 /nfs/dbraw/zinc/62/64/86/825626486.db2.gz CIVPYHWSCLPGHP-FRRDWIJNSA-N 2 1 275.368 -0.559 20 0 CBADMP CCCOC[C@@H](O)C[N@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246027877 825626688 /nfs/dbraw/zinc/62/66/88/825626688.db2.gz YPHNIOSPBPOEIH-SWLSCSKDSA-N 2 1 297.399 -0.815 20 0 CBADMP CC(C)(C)OC(=O)[C@@H](O)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246025950 825626758 /nfs/dbraw/zinc/62/67/58/825626758.db2.gz HKNTUQHMPHIXSR-FZMZJTMJSA-N 2 1 285.388 -0.674 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2)C[C@H]1O ZINC001246025951 825626806 /nfs/dbraw/zinc/62/68/06/825626806.db2.gz YMRDKZGNDJIGPB-OUCADQQQSA-N 2 1 266.341 -0.322 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@H]1O ZINC001246025951 825626809 /nfs/dbraw/zinc/62/68/09/825626809.db2.gz YMRDKZGNDJIGPB-OUCADQQQSA-N 2 1 266.341 -0.322 20 0 CBADMP N[C@H]1C[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CCC1(F)F ZINC001246031069 825627240 /nfs/dbraw/zinc/62/72/40/825627240.db2.gz HMAQDZRSCWVCHV-QWRGUYRKSA-N 2 1 293.358 -0.480 20 0 CBADMP N[C@H]1C[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CCC1(F)F ZINC001246031069 825627247 /nfs/dbraw/zinc/62/72/47/825627247.db2.gz HMAQDZRSCWVCHV-QWRGUYRKSA-N 2 1 293.358 -0.480 20 0 CBADMP CCCOC[C@@H](O)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246029117 825627552 /nfs/dbraw/zinc/62/75/52/825627552.db2.gz VHUGHTHDKANIJZ-QWHCGFSZSA-N 2 1 257.378 -0.589 20 0 CBADMP CCCOC[C@@H](O)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246029117 825627557 /nfs/dbraw/zinc/62/75/57/825627557.db2.gz VHUGHTHDKANIJZ-QWHCGFSZSA-N 2 1 257.378 -0.589 20 0 CBADMP CC(C)OC[C@H](O)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246031006 825627711 /nfs/dbraw/zinc/62/77/11/825627711.db2.gz ZPTNZDGZOPQUQQ-CHWSQXEVSA-N 2 1 257.378 -0.590 20 0 CBADMP CC(C)OC[C@H](O)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246031006 825627713 /nfs/dbraw/zinc/62/77/13/825627713.db2.gz ZPTNZDGZOPQUQQ-CHWSQXEVSA-N 2 1 257.378 -0.590 20 0 CBADMP OCc1ncn2c1C[N@H+](CC1(O)CC[NH2+]CC1)CC2 ZINC001246037060 825628629 /nfs/dbraw/zinc/62/86/29/825628629.db2.gz MRJGJMOXOQOIQT-UHFFFAOYSA-N 2 1 266.345 -0.695 20 0 CBADMP OCc1ncn2c1C[N@@H+](CC1(O)CC[NH2+]CC1)CC2 ZINC001246037060 825628634 /nfs/dbraw/zinc/62/86/34/825628634.db2.gz MRJGJMOXOQOIQT-UHFFFAOYSA-N 2 1 266.345 -0.695 20 0 CBADMP CC(C)OC[C@H](O)C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246048511 825628899 /nfs/dbraw/zinc/62/88/99/825628899.db2.gz YGRFLRBWCCSRNC-DAAZQVBGSA-N 2 1 258.362 -0.322 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@H](C)O)C[C@H]1C2 ZINC001246045835 825629648 /nfs/dbraw/zinc/62/96/48/825629648.db2.gz LHZNMMCMQMRCMC-XJGUIPMBSA-N 2 1 268.357 -0.302 20 0 CBADMP FC1(F)CCNC[C@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246089702 825635005 /nfs/dbraw/zinc/63/50/05/825635005.db2.gz RYHVRGVYQKGHBU-WDEREUQCSA-N 2 1 274.359 -0.085 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2C)CN1 ZINC001246108074 825636082 /nfs/dbraw/zinc/63/60/82/825636082.db2.gz BVXTVCOOYSWQIR-FIQHERPVSA-N 2 1 255.362 -0.275 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CC[C@H]2C)CN1 ZINC001246108537 825636240 /nfs/dbraw/zinc/63/62/40/825636240.db2.gz BVXTVCOOYSWQIR-WISYIIOYSA-N 2 1 255.362 -0.275 20 0 CBADMP O=S1(=O)CC[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001246125974 825637296 /nfs/dbraw/zinc/63/72/96/825637296.db2.gz KYPVGPAVLGTRDU-RYUDHWBXSA-N 2 1 287.429 -0.363 20 0 CBADMP O=S1(=O)CC[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001246125977 825638046 /nfs/dbraw/zinc/63/80/46/825638046.db2.gz KYPVGPAVLGTRDU-VXGBXAGGSA-N 2 1 287.429 -0.363 20 0 CBADMP O=S1(=O)CC[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001246125972 825638237 /nfs/dbraw/zinc/63/82/37/825638237.db2.gz KYPVGPAVLGTRDU-NWDGAFQWSA-N 2 1 287.429 -0.363 20 0 CBADMP O=c1cc(CNC2CC[NH2+]CC2)nc2n1CCC[NH2+]C2 ZINC001246130413 825638657 /nfs/dbraw/zinc/63/86/57/825638657.db2.gz HAALHDNECHVOJU-UHFFFAOYSA-N 2 1 277.372 -0.422 20 0 CBADMP C1[NH2+]CC12C[C@H](N[C@H]1COCCC13C[NH2+]C3)CCN2 ZINC001246138444 825639784 /nfs/dbraw/zinc/63/97/84/825639784.db2.gz MLVMEAUSOYLFFR-NEPJUHHUSA-N 2 1 266.389 -0.952 20 0 CBADMP O=C1C[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CN1 ZINC001246138242 825640068 /nfs/dbraw/zinc/64/00/68/825640068.db2.gz BAIANKWSDMAFBO-GHMZBOCLSA-N 2 1 252.362 -0.661 20 0 CBADMP C([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001246141137 825640264 /nfs/dbraw/zinc/64/02/64/825640264.db2.gz COHMVANPWXOSMU-BFHYXJOUSA-N 3 1 269.389 -0.277 20 0 CBADMP C[N@H+]1CCC[C@H](N[C@]23CC[NH2+][C@H]2CC(=O)N3)CC1 ZINC001246147903 825641258 /nfs/dbraw/zinc/64/12/58/825641258.db2.gz MJGCJUZCCJTXQN-GVXVVHGQSA-N 2 1 252.362 -0.362 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CN1 ZINC001246145316 825641528 /nfs/dbraw/zinc/64/15/28/825641528.db2.gz MEDWIQIJWSWXFW-XQQFMLRXSA-N 2 1 296.415 -0.646 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CN1 ZINC001246149911 825642231 /nfs/dbraw/zinc/64/22/31/825642231.db2.gz QYQVYLUWLWJZAV-ARUSPNSKSA-N 2 1 297.399 -0.506 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CN1 ZINC001246149916 825642469 /nfs/dbraw/zinc/64/24/69/825642469.db2.gz QYQVYLUWLWJZAV-GGAZOKNXSA-N 2 1 297.399 -0.506 20 0 CBADMP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1CCCC[C@@]13C[NH2+]CCO3)CCN2 ZINC001246157508 825643132 /nfs/dbraw/zinc/64/31/32/825643132.db2.gz BSXMMYVHEDUSBM-IIAWOOMASA-N 3 1 294.443 -0.029 20 0 CBADMP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1CCCC[C@@]13C[NH2+]CCO3)CCN2 ZINC001246157512 825643363 /nfs/dbraw/zinc/64/33/63/825643363.db2.gz BSXMMYVHEDUSBM-SQWLQELKSA-N 3 1 294.443 -0.029 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@]13CC[NH2+][C@H]1CC(=O)N3)C2 ZINC001246155049 825643386 /nfs/dbraw/zinc/64/33/86/825643386.db2.gz WUZNOCNNMXBAIM-XJBAAKRRSA-N 2 1 264.373 -0.221 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)CN1 ZINC001246182808 825647151 /nfs/dbraw/zinc/64/71/51/825647151.db2.gz AAEABULWUNIFQB-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CN1 ZINC001246183985 825647256 /nfs/dbraw/zinc/64/72/56/825647256.db2.gz YDEZPKHIRCLZLA-WOPDTQHZSA-N 2 1 255.362 -0.179 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CN1 ZINC001246183985 825647258 /nfs/dbraw/zinc/64/72/58/825647258.db2.gz YDEZPKHIRCLZLA-WOPDTQHZSA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246188017 825648068 /nfs/dbraw/zinc/64/80/68/825648068.db2.gz SMUUAPXRCNXNQQ-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC001246254450 825657176 /nfs/dbraw/zinc/65/71/76/825657176.db2.gz HNBRPWHRODUEHD-OLZOCXBDSA-N 3 1 268.405 -0.119 20 0 CBADMP CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C(N)=O ZINC001246269120 825657821 /nfs/dbraw/zinc/65/78/21/825657821.db2.gz KXXUUCUFFQZLAB-RTXFEEFZSA-N 2 1 284.404 -0.123 20 0 CBADMP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246305119 825661647 /nfs/dbraw/zinc/66/16/47/825661647.db2.gz GRUNTUYFINFQOW-NAKRPEOUSA-N 2 1 271.361 -0.217 20 0 CBADMP OC[C@H]1C[NH2+]C[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC001246299176 825662092 /nfs/dbraw/zinc/66/20/92/825662092.db2.gz JZGJJJZMWBZGDB-PWSUYJOCSA-N 2 1 256.346 -0.158 20 0 CBADMP COC(=O)[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001246332061 825665159 /nfs/dbraw/zinc/66/51/59/825665159.db2.gz YPALHVOTFRRFIJ-OLZOCXBDSA-N 3 1 296.415 -0.789 20 0 CBADMP COC(=O)[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001246332059 825665748 /nfs/dbraw/zinc/66/57/48/825665748.db2.gz YPALHVOTFRRFIJ-CHWSQXEVSA-N 3 1 296.415 -0.789 20 0 CBADMP COC(=O)[C@H](CCC[NH3+])NC1C[C@@H]2COC[C@H](C1)[N@@H+]2C ZINC001246402469 825670586 /nfs/dbraw/zinc/67/05/86/825670586.db2.gz WPHHHGBULXJBKM-WVMKXHBISA-N 2 1 285.388 -0.282 20 0 CBADMP COC(=O)[C@H](CCC[NH3+])NC1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001246402469 825670589 /nfs/dbraw/zinc/67/05/89/825670589.db2.gz WPHHHGBULXJBKM-WVMKXHBISA-N 2 1 285.388 -0.282 20 0 CBADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246401958 825670764 /nfs/dbraw/zinc/67/07/64/825670764.db2.gz QOBXXCOAEMRNLC-MNOVXSKESA-N 3 1 255.362 -0.001 20 0 CBADMP COC(=O)c1ccc(C[NH3+])n1[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246411361 825671279 /nfs/dbraw/zinc/67/12/79/825671279.db2.gz PBWLJQJNJIBGCK-JTQLQIEISA-N 2 1 278.356 0.000 20 0 CBADMP CC1(C)C[NH2+]C[C@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)O1 ZINC001246414360 825672005 /nfs/dbraw/zinc/67/20/05/825672005.db2.gz SGFXJZRHOXRRCW-VXGBXAGGSA-N 3 1 268.405 -0.563 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC23C[NH2+]C3)CCN1 ZINC001246443056 825672525 /nfs/dbraw/zinc/67/25/25/825672525.db2.gz FPPIVPYWEWJPKP-VWYCJHECSA-N 2 1 253.346 -0.378 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC23C[NH2+]C3)CN1 ZINC001246442306 825672703 /nfs/dbraw/zinc/67/27/03/825672703.db2.gz CVZCRNYCUCLMJK-GARJFASQSA-N 2 1 253.346 -0.378 20 0 CBADMP COC(=O)[C@@H]1C[C@H](n2c(C[NH3+])nc3cnccc32)C[NH2+]1 ZINC001246446168 825673973 /nfs/dbraw/zinc/67/39/73/825673973.db2.gz KNLSXXWEAKGJCT-IUCAKERBSA-N 2 1 275.312 -0.034 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H](NCCC[NH2+]CCCC[NH3+])CN1 ZINC001246454943 825673992 /nfs/dbraw/zinc/67/39/92/825673992.db2.gz BJWWYKPIQNAGGF-OLZOCXBDSA-N 2 1 286.420 -0.412 20 0 CBADMP [NH3+]CCC[NH2+]CCC[NH2+][C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246456660 825674761 /nfs/dbraw/zinc/67/47/61/825674761.db2.gz KYSCXGILIKUHBM-NSHDSACASA-N 4 1 258.435 -0.248 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2F)C[NH2+]1 ZINC001246483369 825676279 /nfs/dbraw/zinc/67/62/79/825676279.db2.gz SYOLDLIJMIOLOS-KQXIARHKSA-N 2 1 273.352 -0.040 20 0 CBADMP CC(=O)N1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246521936 825679984 /nfs/dbraw/zinc/67/99/84/825679984.db2.gz CODMEFHHTBOSFU-ZDUSSCGKSA-N 2 1 266.389 -0.365 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])[C@@H]2CCNC3(C[NH2+]C3)C2)[nH]n1 ZINC001246532561 825681975 /nfs/dbraw/zinc/68/19/75/825681975.db2.gz RRMWUIZNOFAFSI-SECBINFHSA-N 2 1 263.349 -0.488 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])[C@@H]2CC[NH2+]C3(CNC3)C2)n[nH]1 ZINC001246532561 825681977 /nfs/dbraw/zinc/68/19/77/825681977.db2.gz RRMWUIZNOFAFSI-SECBINFHSA-N 2 1 263.349 -0.488 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246546261 825682687 /nfs/dbraw/zinc/68/26/87/825682687.db2.gz ZDSXCCXXGCTMQT-JSGCOSHPSA-N 3 1 268.405 -0.744 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246546986 825683144 /nfs/dbraw/zinc/68/31/44/825683144.db2.gz BPSKRAGGZBKEGZ-MBNYWOFBSA-N 2 1 285.388 -0.544 20 0 CBADMP C[N@@H+](C[C@H]1CNCCO1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246556057 825684147 /nfs/dbraw/zinc/68/41/47/825684147.db2.gz HMNUAIAFLQOQCM-NWDGAFQWSA-N 2 1 254.378 -0.999 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246555063 825684477 /nfs/dbraw/zinc/68/44/77/825684477.db2.gz BFNUUDNBWRXZRN-MNOVXSKESA-N 3 1 274.359 -0.004 20 0 CBADMP [NH3+]C[C@@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246555063 825684483 /nfs/dbraw/zinc/68/44/83/825684483.db2.gz BFNUUDNBWRXZRN-MNOVXSKESA-N 2 1 274.359 -0.004 20 0 CBADMP C[N@@H+](C[C@@H]1CNCCO1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246556058 825684666 /nfs/dbraw/zinc/68/46/66/825684666.db2.gz HMNUAIAFLQOQCM-RYUDHWBXSA-N 2 1 254.378 -0.999 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246565214 825685522 /nfs/dbraw/zinc/68/55/22/825685522.db2.gz YLHLVUOKESFUGK-ZFWWWQNUSA-N 2 1 299.415 -0.201 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CCN1 ZINC001246562521 825685958 /nfs/dbraw/zinc/68/59/58/825685958.db2.gz STAFYXHHUWIFLU-SGMGOOAPSA-N 2 1 285.388 -0.544 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@@H](C)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246566633 825686090 /nfs/dbraw/zinc/68/60/90/825686090.db2.gz HWTKVQNDZNKCCL-LSCVPOLPSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246559308 825686346 /nfs/dbraw/zinc/68/63/46/825686346.db2.gz ODSYCISGYZCFMS-QJPTWQEYSA-N 2 1 271.361 -0.982 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246565202 825686354 /nfs/dbraw/zinc/68/63/54/825686354.db2.gz YLHLVUOKESFUGK-DZGCQCFKSA-N 2 1 299.415 -0.201 20 0 CBADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CC[C@@H]([NH3+])[C@H](O)C2)C[NH2+]1 ZINC001246573015 825687857 /nfs/dbraw/zinc/68/78/57/825687857.db2.gz YNIJHHJOMHLCIY-WHOHXGKFSA-N 2 1 285.388 -0.548 20 0 CBADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCC[C@H](n3ncnn3)C2)C[C@H]1O ZINC001246567478 825688143 /nfs/dbraw/zinc/68/81/43/825688143.db2.gz KXRFCOWPLZFHHE-NNYUYHANSA-N 2 1 266.349 -0.449 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCN3C(=O)CC[C@H]3C2)C[C@H]1O ZINC001246579334 825688875 /nfs/dbraw/zinc/68/88/75/825688875.db2.gz ILHKFOFJUJUYTE-WHOHXGKFSA-N 2 1 253.346 -0.609 20 0 CBADMP CCOC(=O)N1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246578046 825689005 /nfs/dbraw/zinc/68/90/05/825689005.db2.gz FCRNSLTVLNDPEE-AXFHLTTASA-N 2 1 257.334 -0.531 20 0 CBADMP CCOC(=O)N1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246578046 825689011 /nfs/dbraw/zinc/68/90/11/825689011.db2.gz FCRNSLTVLNDPEE-AXFHLTTASA-N 2 1 257.334 -0.531 20 0 CBADMP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CO1 ZINC001246577994 825689046 /nfs/dbraw/zinc/68/90/46/825689046.db2.gz CXHJAUFOCWLSNP-IRCOFANPSA-N 2 1 272.345 -0.652 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246580668 825690165 /nfs/dbraw/zinc/69/01/65/825690165.db2.gz NETQMOQDPJUOGV-KXNHARMFSA-N 2 1 256.346 -0.030 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCO[C@@H](C[NH+](C)C)C2)C[NH2+]1 ZINC001246587655 825690265 /nfs/dbraw/zinc/69/02/65/825690265.db2.gz SYRNKKZNZZKGDP-WOPDTQHZSA-N 2 1 271.361 -0.848 20 0 CBADMP COC(=O)[C@H]1CCC[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246579627 825690472 /nfs/dbraw/zinc/69/04/72/825690472.db2.gz FXGPQPKVVPCEOM-YFKTTZPYSA-N 2 1 256.346 -0.030 20 0 CBADMP CCOC(=O)[C@H]1CC[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246580667 825690481 /nfs/dbraw/zinc/69/04/81/825690481.db2.gz NETQMOQDPJUOGV-BJDJZHNGSA-N 2 1 256.346 -0.030 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](n2cnc3c2C[NH2+]CC3)C[NH2+]1 ZINC001246581128 825690525 /nfs/dbraw/zinc/69/05/25/825690525.db2.gz PRECZAHWTZPYQC-SCZZXKLOSA-N 2 1 250.302 -0.395 20 0 CBADMP C[C@]1(CO)CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1O ZINC001246589377 825691806 /nfs/dbraw/zinc/69/18/06/825691806.db2.gz CSSVMCZBHLVMLW-JHJVBQTASA-N 2 1 269.389 -0.854 20 0 CBADMP C[C@@]1(O)COCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246593965 825692852 /nfs/dbraw/zinc/69/28/52/825692852.db2.gz UNJCVEZBIPTYTO-RYUDHWBXSA-N 2 1 255.362 -0.836 20 0 CBADMP CCOC(=O)C1=C(O)CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246590794 825692909 /nfs/dbraw/zinc/69/29/09/825692909.db2.gz AGMRMPVFEJKYDV-NWDGAFQWSA-N 2 1 295.383 -0.466 20 0 CBADMP COC(=O)[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246595512 825692961 /nfs/dbraw/zinc/69/29/61/825692961.db2.gz SYRKRZMYIJFTQL-MNOVXSKESA-N 2 1 253.346 -0.425 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCNC3(CC[NH2+]CC3)C1)CCN2 ZINC001246599859 825693502 /nfs/dbraw/zinc/69/35/02/825693502.db2.gz DYYDASWGXPBRKP-ZDUSSCGKSA-N 3 1 279.432 -0.892 20 0 CBADMP CC(=O)N1CC[C@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246605881 825693669 /nfs/dbraw/zinc/69/36/69/825693669.db2.gz RIEOFONEJYPFSD-ZDUSSCGKSA-N 2 1 266.389 -0.365 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCNC3(CC[NH2+]CC3)C1)CCO2 ZINC001246598466 825693819 /nfs/dbraw/zinc/69/38/19/825693819.db2.gz BHQPCCZSQOOYJB-ZDUSSCGKSA-N 2 1 280.416 -0.465 20 0 CBADMP Cc1nc(CC[N@H+](C)[C@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246598475 825694528 /nfs/dbraw/zinc/69/45/28/825694528.db2.gz OAKYFISBUOWUDF-NSHDSACASA-N 2 1 265.361 -0.054 20 0 CBADMP CC(=O)N1CC[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246605879 825694588 /nfs/dbraw/zinc/69/45/88/825694588.db2.gz RIEOFONEJYPFSD-CYBMUJFWSA-N 2 1 266.389 -0.365 20 0 CBADMP O=C1C[C@@H]([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246619451 825695034 /nfs/dbraw/zinc/69/50/34/825695034.db2.gz RJRWCAVMQFOUNJ-SRVKXCTJSA-N 2 1 252.362 -0.709 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCO[C@]3(CCOC3)C1)CCN2 ZINC001246612618 825695127 /nfs/dbraw/zinc/69/51/27/825695127.db2.gz BFIPDTZMBPSCSJ-TZMCWYRMSA-N 2 1 267.373 -0.428 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@]23CCC[NH2+]C3)C[NH2+]1 ZINC001246608055 825695142 /nfs/dbraw/zinc/69/51/42/825695142.db2.gz VQEFHKLIMQQBES-MDZLAQPJSA-N 2 1 253.346 -0.282 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCOC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246609137 825695615 /nfs/dbraw/zinc/69/56/15/825695615.db2.gz ZSUNNYARDOJFAN-RYUDHWBXSA-N 2 1 283.372 -0.656 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@]3(CCC[NH2+]3)C1)CCN2 ZINC001246611876 825695666 /nfs/dbraw/zinc/69/56/66/825695666.db2.gz DSHAEYMIZRHPKB-CHWSQXEVSA-N 3 1 250.390 -0.092 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@]3(CCC[NH2+]3)C1)CCN2 ZINC001246611876 825695669 /nfs/dbraw/zinc/69/56/69/825695669.db2.gz DSHAEYMIZRHPKB-CHWSQXEVSA-N 3 1 250.390 -0.092 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CN1 ZINC001246619387 825695745 /nfs/dbraw/zinc/69/57/45/825695745.db2.gz QFAHBQOLUOIBEK-RFGFWPKPSA-N 2 1 296.415 -0.694 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@]3(CCC[NH2+]3)C2)C[NH2+]1 ZINC001246613927 825695768 /nfs/dbraw/zinc/69/57/68/825695768.db2.gz LQODJYNEOWDNQW-NTZNESFSSA-N 2 1 253.346 -0.282 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246618581 825695877 /nfs/dbraw/zinc/69/58/77/825695877.db2.gz MSYJWBRQSMRGGT-XUXIUFHCSA-N 2 1 296.415 -0.694 20 0 CBADMP CC(=O)N1CC[C@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246617536 825695910 /nfs/dbraw/zinc/69/59/10/825695910.db2.gz GXFNIGBYAUJWDM-IHRRRGAJSA-N 2 1 266.389 -0.367 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@@H+]1CCO[C@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246622747 825696711 /nfs/dbraw/zinc/69/67/11/825696711.db2.gz RVTQKUIJGSMYBR-HIFRSBDPSA-N 3 1 280.416 -0.465 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCO[C@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246622747 825696715 /nfs/dbraw/zinc/69/67/15/825696715.db2.gz RVTQKUIJGSMYBR-HIFRSBDPSA-N 3 1 280.416 -0.465 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCO[C@@H]3C[NH2+]C[C@@H]3C1)CCN2 ZINC001246628470 825697968 /nfs/dbraw/zinc/69/79/68/825697968.db2.gz ZPENWZVUUCKPQS-FRRDWIJNSA-N 3 1 266.389 -0.999 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1CCO[C@@H]3C[NH2+]C[C@@H]3C1)CCN2 ZINC001246628470 825697975 /nfs/dbraw/zinc/69/79/75/825697975.db2.gz ZPENWZVUUCKPQS-FRRDWIJNSA-N 2 1 266.389 -0.999 20 0 CBADMP O=C1C[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)CCN1C1CC1 ZINC001246627275 825698472 /nfs/dbraw/zinc/69/84/72/825698472.db2.gz IVWCWHNXHZGNSR-DZGCQCFKSA-N 2 1 278.400 -0.223 20 0 CBADMP c1nnn([C@@H]2CCC[C@H]([N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)C2)n1 ZINC001246633339 825699619 /nfs/dbraw/zinc/69/96/19/825699619.db2.gz CIHLDIPHMMBSLS-MJBXVCDLSA-N 2 1 291.403 -0.206 20 0 CBADMP C1C[C@]2(C[NH2+]1)C[N@@H+](C1C[C@@H]3COC[C@H](C1)N3)CCN2 ZINC001246644271 825700462 /nfs/dbraw/zinc/70/04/62/825700462.db2.gz RQJCPSRFLZAGAS-PIGZVRMJSA-N 2 1 266.389 -0.857 20 0 CBADMP C1C[C@]2(C[NH2+]1)C[N@H+](C1C[C@@H]3COC[C@H](C1)N3)CCN2 ZINC001246644271 825700466 /nfs/dbraw/zinc/70/04/66/825700466.db2.gz RQJCPSRFLZAGAS-PIGZVRMJSA-N 2 1 266.389 -0.857 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCC[C@]3(CNCCO3)C1)CCN2 ZINC001246645112 825702451 /nfs/dbraw/zinc/70/24/51/825702451.db2.gz BCJBQUJMCVRFJS-HIFRSBDPSA-N 2 1 280.416 -0.465 20 0 CBADMP c1nnc2n1CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246646951 825702939 /nfs/dbraw/zinc/70/29/39/825702939.db2.gz YBSBSGTXLDIEAO-LLVKDONJSA-N 2 1 262.361 -0.770 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@@H+]1CCC[C@]13CC[NH2+]C3)CCN2 ZINC001246651692 825702995 /nfs/dbraw/zinc/70/29/95/825702995.db2.gz YJVJGIMBZYJZLT-GXTWGEPZSA-N 3 1 250.390 -0.092 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCC[C@]13CC[NH2+]C3)CCN2 ZINC001246651692 825702997 /nfs/dbraw/zinc/70/29/97/825702997.db2.gz YJVJGIMBZYJZLT-GXTWGEPZSA-N 3 1 250.390 -0.092 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCN[C@]3(CC[NH2+]C3)C1)CS2 ZINC001246646092 825703041 /nfs/dbraw/zinc/70/30/41/825703041.db2.gz WKGWNFWTVMLSBR-NEPJUHHUSA-N 3 1 268.430 -0.529 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1CCN[C@]3(CC[NH2+]C3)C1)CS2 ZINC001246646092 825703042 /nfs/dbraw/zinc/70/30/42/825703042.db2.gz WKGWNFWTVMLSBR-NEPJUHHUSA-N 2 1 268.430 -0.529 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])CN1 ZINC001246658570 825703314 /nfs/dbraw/zinc/70/33/14/825703314.db2.gz KZSSXSAOIDUTRH-OSUNSFLBSA-N 2 1 253.346 -0.299 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@@H](N2CC[NH2+][C@H](C)C2)C[NH2+]1 ZINC001246676249 825704949 /nfs/dbraw/zinc/70/49/49/825704949.db2.gz BFRAJXKXLXIXGD-WZRBSPASSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2CC[NH2+]C[C@@H]2C)C[NH2+]1 ZINC001246671008 825704962 /nfs/dbraw/zinc/70/49/62/825704962.db2.gz FISSJFYADDDUMR-GMXVVIOVSA-N 2 1 255.362 -0.036 20 0 CBADMP CCOC(=O)[C@H]1C[C@@H]2CN([C@H]3CCC[NH2+]C3)C[C@@H]2[NH2+]1 ZINC001246672654 825705227 /nfs/dbraw/zinc/70/52/27/825705227.db2.gz VMPZREPIFGLBLJ-XQHKEYJVSA-N 2 1 267.373 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H](C3C[NH2+]C3)C2)CN1 ZINC001246680250 825706174 /nfs/dbraw/zinc/70/61/74/825706174.db2.gz SQLGFHXCZYPIIZ-USWWRNFRSA-N 2 1 253.346 -0.569 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)CN1 ZINC001246688577 825706412 /nfs/dbraw/zinc/70/64/12/825706412.db2.gz GCVRIHACLQBOOA-RHYQMDGZSA-N 2 1 285.363 -0.101 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)CN1 ZINC001246688577 825706415 /nfs/dbraw/zinc/70/64/15/825706415.db2.gz GCVRIHACLQBOOA-RHYQMDGZSA-N 2 1 285.363 -0.101 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)C[NH2+]1 ZINC001246688577 825706417 /nfs/dbraw/zinc/70/64/17/825706417.db2.gz GCVRIHACLQBOOA-RHYQMDGZSA-N 2 1 285.363 -0.101 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@]3(C2)C[NH2+]CC[C@H]3F)C[NH2+]1 ZINC001246694417 825706475 /nfs/dbraw/zinc/70/64/75/825706475.db2.gz RIMBVBUCIUNWNL-CIQGVGRVSA-N 2 1 285.363 -0.087 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2CC[NH2+]C[C@H]2C(C)C)C[NH2+]1 ZINC001246698036 825707649 /nfs/dbraw/zinc/70/76/49/825707649.db2.gz UTSJBIYHWHHWAF-TUAOUCFPSA-N 2 1 255.362 -0.180 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CN1 ZINC001246701837 825707898 /nfs/dbraw/zinc/70/78/98/825707898.db2.gz NMVUQWZSKGIRKE-VOAKCMCISA-N 2 1 267.373 -0.227 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CN1 ZINC001246701837 825707902 /nfs/dbraw/zinc/70/79/02/825707902.db2.gz NMVUQWZSKGIRKE-VOAKCMCISA-N 2 1 267.373 -0.227 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CN1 ZINC001246701837 825707908 /nfs/dbraw/zinc/70/79/08/825707908.db2.gz NMVUQWZSKGIRKE-VOAKCMCISA-N 2 1 267.373 -0.227 20 0 CBADMP CNC(=O)CN1CCO[C@H]2C[N@H+]([C@@H]3CC[NH2+][C@H](C)C3)C[C@H]21 ZINC001246730392 825708277 /nfs/dbraw/zinc/70/82/77/825708277.db2.gz KGBNYCFEIWTTDZ-SYQHCUMBSA-N 2 1 296.415 -0.742 20 0 CBADMP CN1C[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1=O ZINC001246760385 825709440 /nfs/dbraw/zinc/70/94/40/825709440.db2.gz QEGMDJOZZGUPBG-WOPDTQHZSA-N 2 1 264.373 -0.900 20 0 CBADMP 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 825709448 /nfs/dbraw/zinc/70/94/48/825709448.db2.gz SJMBBGWLVAXEET-MQYQWHSLSA-N 2 1 292.427 -0.217 20 0 CBADMP COCCN1C[C@@H]2C[N@H+]([C@H]3CCC[NH2+]C3)C[C@@H]2C1=O ZINC001246755299 825709512 /nfs/dbraw/zinc/70/95/12/825709512.db2.gz KKJBETVKCBEXJJ-AGIUHOORSA-N 2 1 267.373 -0.225 20 0 CBADMP C1C(N2CCCC2)C[NH+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246802935 825712835 /nfs/dbraw/zinc/71/28/35/825712835.db2.gz YLEKKMHXKOSVIR-GFCCVEGCSA-N 2 1 250.390 -0.140 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CN1 ZINC001246807305 825713407 /nfs/dbraw/zinc/71/34/07/825713407.db2.gz JFMVLJAXZGELKT-ROHXPCBUSA-N 2 1 253.346 -0.156 20 0 CBADMP COc1ncnc2c1CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246798491 825713537 /nfs/dbraw/zinc/71/35/37/825713537.db2.gz UMCYFMZJRVYPLN-LLVKDONJSA-N 2 1 289.383 -0.063 20 0 CBADMP COCCCN([C@H]1C[NH2+][C@@H](C(=O)OC)C1)[C@@H]1CCC[NH2+]C1 ZINC001246806307 825713592 /nfs/dbraw/zinc/71/35/92/825713592.db2.gz HPBFSNSSSLPWIH-MGPQQGTHSA-N 2 1 299.415 -0.020 20 0 CBADMP O=C1C[C@H]2CC([NH+]3CCNCC[NH2+]CCNCC3)C[C@@H]2C1 ZINC001246818048 825714510 /nfs/dbraw/zinc/71/45/10/825714510.db2.gz CITYEOUJZLIVTN-ZIAGYGMSSA-N 2 1 294.443 -0.172 20 0 CBADMP C1COC[C@@H]([NH+]2CCNCC[NH2+]CCNCC2)C1 ZINC001246821315 825716400 /nfs/dbraw/zinc/71/64/00/825716400.db2.gz NTAVTFIGXYHJRT-ZDUSSCGKSA-N 2 1 256.394 -0.750 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCN(CCC[NH+](C)C)CC2)C[NH2+]1 ZINC001246823407 825717210 /nfs/dbraw/zinc/71/72/10/825717210.db2.gz GGKYQVSHAGKIMY-KBPBESRZSA-N 2 1 298.431 -0.541 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCCC3(C1)OCCO3)CCN2 ZINC001246838731 825719234 /nfs/dbraw/zinc/71/92/34/825719234.db2.gz FJQOVCYWDVLMMA-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N(CC[NH3+])CC[NH3+])C[NH2+]1 ZINC001246833136 825719337 /nfs/dbraw/zinc/71/93/37/825719337.db2.gz RVCFXSQXBNDHDV-MNOVXSKESA-N 3 1 272.393 -0.722 20 0 CBADMP COCCCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246837496 825719346 /nfs/dbraw/zinc/71/93/46/825719346.db2.gz UPSVRKJFGSZNNG-KGLIPLIRSA-N 2 1 299.415 -0.020 20 0 CBADMP CC[N@@H+](CCN1CCOCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246848270 825719885 /nfs/dbraw/zinc/71/98/85/825719885.db2.gz NNRNBOVCXHJBHM-AWEZNQCLSA-N 2 1 282.432 -0.266 20 0 CBADMP COCC[N@H+](C1CC[NH2+]CC1)[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246840655 825719913 /nfs/dbraw/zinc/71/99/13/825719913.db2.gz OZUAJIALTHDSIF-KBPBESRZSA-N 2 1 299.415 -0.020 20 0 CBADMP COCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246840655 825719917 /nfs/dbraw/zinc/71/99/17/825719917.db2.gz OZUAJIALTHDSIF-KBPBESRZSA-N 2 1 299.415 -0.020 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])C[NH2+]1 ZINC001246840834 825721644 /nfs/dbraw/zinc/72/16/44/825721644.db2.gz KWNCYCDERFETND-CSYMLDBXSA-N 2 1 253.346 -0.441 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@@H](N2C[C@H]3COC[C@@H](C2)C3[NH3+])C[NH2+]1 ZINC001246858186 825723174 /nfs/dbraw/zinc/72/31/74/825723174.db2.gz DBICNNBKOXBWTO-NGYUWDRUSA-N 2 1 297.399 -0.424 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CN1 ZINC001246863387 825723677 /nfs/dbraw/zinc/72/36/77/825723677.db2.gz XREDWNAJVMDBOX-ZBBUEOHVSA-N 2 1 297.399 -0.424 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CN1 ZINC001246863387 825723680 /nfs/dbraw/zinc/72/36/80/825723680.db2.gz XREDWNAJVMDBOX-ZBBUEOHVSA-N 2 1 297.399 -0.424 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](n2c(C)nc3c2C[NH2+]CC3)C[NH2+]1 ZINC001246867751 825725521 /nfs/dbraw/zinc/72/55/21/825725521.db2.gz ZQKUUIBWMDIGSL-KOLCDFICSA-N 2 1 264.329 -0.087 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@]3(CC[N@H+](C)C3)C2)C[NH2+]1 ZINC001246868927 825726341 /nfs/dbraw/zinc/72/63/41/825726341.db2.gz PPXOBLBNWZHMSJ-OBJOEFQTSA-N 2 1 267.373 -0.083 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@]3(CC[N@@H+](C)C3)C2)C[NH2+]1 ZINC001246868927 825726344 /nfs/dbraw/zinc/72/63/44/825726344.db2.gz PPXOBLBNWZHMSJ-OBJOEFQTSA-N 2 1 267.373 -0.083 20 0 CBADMP [NH3+]C1CN([C@H]2CCC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246871649 825727196 /nfs/dbraw/zinc/72/71/96/825727196.db2.gz NNLMJYIIRMGKLO-KGLIPLIRSA-N 3 1 279.432 -0.812 20 0 CBADMP CC(C)N1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246873014 825727332 /nfs/dbraw/zinc/72/73/32/825727332.db2.gz YJJOXKDNFHTDNM-GFCCVEGCSA-N 2 1 266.389 -0.367 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC(O)([C@H]3CCCC[NH2+]3)C2)C[NH2+]1 ZINC001246901471 825728361 /nfs/dbraw/zinc/72/83/61/825728361.db2.gz YBCZUOFZJMRSEU-SDDRHHMPSA-N 2 1 283.372 -0.921 20 0 CBADMP CCN1C[C@@H](C)[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246902671 825728943 /nfs/dbraw/zinc/72/89/43/825728943.db2.gz LSUYBEVZVGCTLO-VXGBXAGGSA-N 2 1 266.389 -0.367 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N(C)C2(C)CC[NH2+]CC2)C[NH2+]1 ZINC001246912727 825730239 /nfs/dbraw/zinc/73/02/39/825730239.db2.gz VILZKZNAPDYQRW-QWRGUYRKSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@H]3C[NH2+]C[C@H]32)C[NH2+]1 ZINC001246921478 825730862 /nfs/dbraw/zinc/73/08/62/825730862.db2.gz SGLIDYIGMULZJT-LSCVPOLPSA-N 2 1 253.346 -0.426 20 0 CBADMP COC(=O)[C@@H](N)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246920823 825731710 /nfs/dbraw/zinc/73/17/10/825731710.db2.gz JYWCWGAXHUWITI-JQWIXIFHSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H](N)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246920823 825731714 /nfs/dbraw/zinc/73/17/14/825731714.db2.gz JYWCWGAXHUWITI-JQWIXIFHSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N(CCOC)[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC001246930075 825732434 /nfs/dbraw/zinc/73/24/34/825732434.db2.gz SSCPLWDWSQFQSV-VNHYZAJKSA-N 2 1 299.415 -0.020 20 0 CBADMP COC(=O)[C@H]1C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CN1 ZINC001246929854 825733090 /nfs/dbraw/zinc/73/30/90/825733090.db2.gz HLGJXIFZKAZSMQ-QNWHQSFQSA-N 2 1 267.373 -0.179 20 0 CBADMP COC(=O)[C@H]([NH3+])[C@H]1CCCN([C@H]2CCC[NH2+]C2)C1 ZINC001246926891 825733181 /nfs/dbraw/zinc/73/31/81/825733181.db2.gz UTRWLLNXZOOBTG-SDDRHHMPSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C[C@H]1N ZINC001246929429 825733302 /nfs/dbraw/zinc/73/33/02/825733302.db2.gz CYDLIQQXFJBKEP-GMTAPVOTSA-N 2 1 253.346 -0.439 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C2CCC3(C[NH2+]C3)CC2)C[C@H]1N ZINC001246934687 825733999 /nfs/dbraw/zinc/73/39/99/825733999.db2.gz VWGQTKMXWMUYFJ-VXGBXAGGSA-N 2 1 267.373 -0.049 20 0 CBADMP COC(=O)[C@@H]1CN(C2CCC3(C[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001246934687 825734001 /nfs/dbraw/zinc/73/40/01/825734001.db2.gz VWGQTKMXWMUYFJ-VXGBXAGGSA-N 2 1 267.373 -0.049 20 0 CBADMP COC(=O)[C@H]1C[N@H+](C2CCC3(C[NH2+]C3)CC2)C[C@H]1N ZINC001246934683 825734278 /nfs/dbraw/zinc/73/42/78/825734278.db2.gz VWGQTKMXWMUYFJ-NWDGAFQWSA-N 2 1 267.373 -0.049 20 0 CBADMP COC(=O)[C@H]1CN(C2CCC3(C[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001246934683 825734283 /nfs/dbraw/zinc/73/42/83/825734283.db2.gz VWGQTKMXWMUYFJ-NWDGAFQWSA-N 2 1 267.373 -0.049 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N(C(C)C)[C@H]2CC[NH2+]C2)C[NH2+]1 ZINC001246957476 825735532 /nfs/dbraw/zinc/73/55/32/825735532.db2.gz ANTVVSZPFVWXJN-TUAOUCFPSA-N 2 1 255.362 -0.038 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C)CCN1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246945156 825736021 /nfs/dbraw/zinc/73/60/21/825736021.db2.gz JVQYOOVNHHMOKO-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C)CCN1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246945156 825736026 /nfs/dbraw/zinc/73/60/26/825736026.db2.gz JVQYOOVNHHMOKO-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CN1 ZINC001246972387 825737021 /nfs/dbraw/zinc/73/70/21/825737021.db2.gz DQBYMEHLUWVCRZ-WJTVCTBASA-N 2 1 267.373 -0.051 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@@]3(C1)CNCCO3)CCN2 ZINC001246990646 825739346 /nfs/dbraw/zinc/73/93/46/825739346.db2.gz XAYUKFGOTBRJQB-JSGCOSHPSA-N 2 1 266.389 -0.855 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC[C@@](C)(C[NH3+])C2)C[NH2+]1 ZINC001247001104 825740498 /nfs/dbraw/zinc/74/04/98/825740498.db2.gz JAPRJEXQSMDGTR-GVXVVHGQSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2CC[C@H]3[NH2+]CCC[C@H]3C2)C[NH2+]1 ZINC001247012206 825742779 /nfs/dbraw/zinc/74/27/79/825742779.db2.gz CVKSTOJWCTZVCG-WUHRBBMRSA-N 2 1 267.373 -0.036 20 0 CBADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)CO ZINC001252058404 825819574 /nfs/dbraw/zinc/81/95/74/825819574.db2.gz BRAYSBRHIXWFKC-RWMBFGLXSA-N 2 1 257.378 -0.950 20 0 CBADMP COCC[N@H+]1CCO[C@@H]2C[NH+](C[C@H](O)CO)CC[C@@H]2C1 ZINC001252059095 825820738 /nfs/dbraw/zinc/82/07/38/825820738.db2.gz QGRRHJUNPUYELV-HZSPNIEDSA-N 2 1 288.388 -0.991 20 0 CBADMP COCC[NH+]1CCO[C@@H]2C[N@H+](C[C@H](O)CO)CC[C@@H]2C1 ZINC001252059095 825820746 /nfs/dbraw/zinc/82/07/46/825820746.db2.gz QGRRHJUNPUYELV-HZSPNIEDSA-N 2 1 288.388 -0.991 20 0 CBADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C[C@H](O)CO)CC[C@@H]2C1 ZINC001252059095 825820756 /nfs/dbraw/zinc/82/07/56/825820756.db2.gz QGRRHJUNPUYELV-HZSPNIEDSA-N 2 1 288.388 -0.991 20 0 CBADMP CC(C)(O)C[NH2+]CCC(=O)NCCc1cnc[nH]1 ZINC001252368943 825835404 /nfs/dbraw/zinc/83/54/04/825835404.db2.gz QXUUFLVPVWQNHI-UHFFFAOYSA-N 2 1 254.334 -0.181 20 0 CBADMP COC(=O)[C@@H](O)C[N@@H+]1CCc2nc(C)[nH]c2CC1 ZINC001252415377 825843115 /nfs/dbraw/zinc/84/31/15/825843115.db2.gz MVYDDZYOGLGTLI-NSHDSACASA-N 2 1 253.302 -0.347 20 0 CBADMP COCCC[NH+]1CCC([NH2+]C[C@H](O)C(=O)OC)CC1 ZINC001252440464 825859065 /nfs/dbraw/zinc/85/90/65/825859065.db2.gz PEOPKAWMSUURPA-LBPRGKRZSA-N 2 1 274.361 -0.389 20 0 CBADMP CC(C)OC[C@@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001252692848 825883877 /nfs/dbraw/zinc/88/38/77/825883877.db2.gz HVYCHILKWMCVLM-AWEZNQCLSA-N 2 1 273.421 -0.001 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001252817190 825889652 /nfs/dbraw/zinc/88/96/52/825889652.db2.gz XABGAGOSZBQWCH-AWEZNQCLSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001252819301 825891981 /nfs/dbraw/zinc/89/19/81/825891981.db2.gz LBSRWAZQESYXEX-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252819301 825891990 /nfs/dbraw/zinc/89/19/90/825891990.db2.gz LBSRWAZQESYXEX-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@]2(CCNC2=O)C1 ZINC001253182773 825902369 /nfs/dbraw/zinc/90/23/69/825902369.db2.gz TUZRQLSPHKXOCE-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP CN1CCOC[C@H]1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253406392 825913952 /nfs/dbraw/zinc/91/39/52/825913952.db2.gz JHASORQUXOTJSG-NEPJUHHUSA-N 2 1 259.394 -0.344 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1C[C@@H](S(C)(=O)=O)C1 ZINC001253405004 825914166 /nfs/dbraw/zinc/91/41/66/825914166.db2.gz MTYRGASWPRILLV-GARJFASQSA-N 2 1 278.418 -0.099 20 0 CBADMP CC(C)[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001253781007 825930584 /nfs/dbraw/zinc/93/05/84/825930584.db2.gz CZTKFWOPTSTEDX-GFCCVEGCSA-N 2 1 257.378 -0.243 20 0 CBADMP [NH3+][C@@H](CO)Cc1c[nH+]cn1[C@@H]1CCS(=O)(=O)C1 ZINC001254319482 825950292 /nfs/dbraw/zinc/95/02/92/825950292.db2.gz YKCRXBPNEPLFNI-RKDXNWHRSA-N 2 1 259.331 -0.895 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCOC2)CC1 ZINC001254365036 825958159 /nfs/dbraw/zinc/95/81/59/825958159.db2.gz DJJCAUQRZVDRTA-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP CCOC(=O)CNC(=O)C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254505202 825964189 /nfs/dbraw/zinc/96/41/89/825964189.db2.gz ZTCHBDOQASRAQJ-NSHDSACASA-N 2 1 271.361 -0.260 20 0 CBADMP CCOC(=O)CNC(=O)C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254505202 825964197 /nfs/dbraw/zinc/96/41/97/825964197.db2.gz ZTCHBDOQASRAQJ-NSHDSACASA-N 2 1 271.361 -0.260 20 0 CBADMP C[N@H+]1CCC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001254507752 825965294 /nfs/dbraw/zinc/96/52/94/825965294.db2.gz CWZPSJPGQPSZSI-NSHDSACASA-N 3 1 274.369 -0.391 20 0 CBADMP C[N@@H+]1CCC[C@H](NCCN(CC[NH3+])N(O)N=O)CC1 ZINC001254507752 825965302 /nfs/dbraw/zinc/96/53/02/825965302.db2.gz CWZPSJPGQPSZSI-NSHDSACASA-N 2 1 274.369 -0.391 20 0 CBADMP C[N@H+]1CCC[C@H](NCCN(CC[NH3+])N(O)N=O)CC1 ZINC001254507752 825965309 /nfs/dbraw/zinc/96/53/09/825965309.db2.gz CWZPSJPGQPSZSI-NSHDSACASA-N 2 1 274.369 -0.391 20 0 CBADMP C[N@H+]1CCC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001254507751 825965650 /nfs/dbraw/zinc/96/56/50/825965650.db2.gz CWZPSJPGQPSZSI-LLVKDONJSA-N 3 1 274.369 -0.391 20 0 CBADMP C[N@H+]1CCC[C@@H](NCCN(CC[NH3+])N(O)N=O)CC1 ZINC001254507751 825965663 /nfs/dbraw/zinc/96/56/63/825965663.db2.gz CWZPSJPGQPSZSI-LLVKDONJSA-N 2 1 274.369 -0.391 20 0 CBADMP C[N@@H+]1CCC[C@@H](NCCN(CC[NH3+])N(O)N=O)CC1 ZINC001254507751 825965655 /nfs/dbraw/zinc/96/56/55/825965655.db2.gz CWZPSJPGQPSZSI-LLVKDONJSA-N 2 1 274.369 -0.391 20 0 CBADMP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CC[N@@H+](C)C1 ZINC001255416287 825981354 /nfs/dbraw/zinc/98/13/54/825981354.db2.gz YBAIIDHBTCFHLG-ZJUUUORDSA-N 2 1 271.365 -0.915 20 0 CBADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)NCC(N)=O ZINC001255672702 825992162 /nfs/dbraw/zinc/99/21/62/825992162.db2.gz PELDXUSOJDJDQA-YEJSDXFRSA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)NCC(N)=O ZINC001255672702 825992165 /nfs/dbraw/zinc/99/21/65/825992165.db2.gz PELDXUSOJDJDQA-YEJSDXFRSA-N 2 1 282.388 -0.419 20 0 CBADMP CC[NH+](CC)CC[C@H](C)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001255953915 825995871 /nfs/dbraw/zinc/99/58/71/825995871.db2.gz WPXQINFKAYIXSI-CYDGBPFRSA-N 2 1 270.425 -0.901 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[NH2+]C1CC[NH+](CCO)CC1 ZINC001256323640 826009274 /nfs/dbraw/zinc/00/92/74/826009274.db2.gz NWODPFLAVPJOOI-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[NH2+]CCC[N@@H+](C)CCO ZINC001256333111 826012835 /nfs/dbraw/zinc/01/28/35/826012835.db2.gz ALYBUQVATYRGMN-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP [NH3+]Cc1nnn(C2CCC([NH+]3CCOCC3)CC2)n1 ZINC001256679415 826029848 /nfs/dbraw/zinc/02/98/48/826029848.db2.gz KAJOJCDQMKHRNB-UHFFFAOYSA-N 2 1 266.349 -0.052 20 0 CBADMP NC(=O)[C@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)CCO1 ZINC001256699472 826030172 /nfs/dbraw/zinc/03/01/72/826030172.db2.gz ZLKPRBTZGUIPNS-JXQTWKCFSA-N 2 1 297.399 -0.184 20 0 CBADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001258002804 826054637 /nfs/dbraw/zinc/05/46/37/826054637.db2.gz FOGXKISDEHINHW-NGFQHRJXSA-N 2 1 286.416 -0.201 20 0 CBADMP CC[NH+](CC)CCC[C@H](C)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001258905751 826069727 /nfs/dbraw/zinc/06/97/27/826069727.db2.gz WPOGWTQBAHLFEX-RFQIPJPRSA-N 2 1 284.452 -0.511 20 0 CBADMP CC[NH+](CC)CCC[C@H](C)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001258905752 826070163 /nfs/dbraw/zinc/07/01/63/826070163.db2.gz WPOGWTQBAHLFEX-XDQVBPFNSA-N 2 1 284.452 -0.511 20 0 CBADMP C[NH+]1CCC(C[NH+]2CCN(S(N)(=O)=O)CC2)CC1 ZINC001260079031 826123507 /nfs/dbraw/zinc/12/35/07/826123507.db2.gz CZWWGEQYGAZTRV-UHFFFAOYSA-N 2 1 276.406 -0.851 20 0 CBADMP C[NH2+][C@@H](C(=O)NCC[NH2+]CCOC)c1cnn(C)c1 ZINC001261493772 826525344 /nfs/dbraw/zinc/52/53/44/826525344.db2.gz QJDPWZZQNALFJU-LLVKDONJSA-N 2 1 269.349 -0.967 20 0 CBADMP C[NH2+][C@H](C(=O)NCC[NH2+]CCOC)c1cnn(C)c1 ZINC001261493773 826525564 /nfs/dbraw/zinc/52/55/64/826525564.db2.gz QJDPWZZQNALFJU-NSHDSACASA-N 2 1 269.349 -0.967 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001261502398 826528085 /nfs/dbraw/zinc/52/80/85/826528085.db2.gz LAZGEKPGHYUART-ITGUQSILSA-N 2 1 266.389 -0.795 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001261515619 826531012 /nfs/dbraw/zinc/53/10/12/826531012.db2.gz NTTPXWFWIAVBON-SRVKXCTJSA-N 2 1 255.362 -0.049 20 0 CBADMP 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 826551278 /nfs/dbraw/zinc/55/12/78/826551278.db2.gz MUBJCWIWJFJXID-XMTUVDPLSA-N 2 1 278.396 -0.117 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC001261636122 826551536 /nfs/dbraw/zinc/55/15/36/826551536.db2.gz ZJCLHPGPVCKUEK-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C(N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1COCC[NH2+]1 ZINC001261836720 826595011 /nfs/dbraw/zinc/59/50/11/826595011.db2.gz JVAHOQCDSYBCCZ-ZOBORPQBSA-N 2 1 269.389 -0.279 20 0 CBADMP C(N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1COCC[NH2+]1 ZINC001261836718 826595236 /nfs/dbraw/zinc/59/52/36/826595236.db2.gz JVAHOQCDSYBCCZ-XDQVBPFNSA-N 2 1 269.389 -0.279 20 0 CBADMP CC[N@H+]1CCC[C@@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC001262007725 826618668 /nfs/dbraw/zinc/61/86/68/826618668.db2.gz OSOUBKZAMJOXIF-ZDUSSCGKSA-N 2 1 268.405 -0.260 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001262034648 826626634 /nfs/dbraw/zinc/62/66/34/826626634.db2.gz KJVYIAFDEVPPMZ-SRVKXCTJSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001262066820 826629806 /nfs/dbraw/zinc/62/98/06/826629806.db2.gz LMIVIPXLXWZHFA-JHJVBQTASA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC001262071058 826631754 /nfs/dbraw/zinc/63/17/54/826631754.db2.gz QHYGZRIKPWZKEK-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP NS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001262195000 826657259 /nfs/dbraw/zinc/65/72/59/826657259.db2.gz KUEFJQOLYPJUBE-WDEREUQCSA-N 2 1 261.391 -0.404 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1CCCO1)N1CC[NH2+]CC[NH2+]CC1 ZINC001262195200 826657624 /nfs/dbraw/zinc/65/76/24/826657624.db2.gz SIZDMCRCXRPHRP-QWHCGFSZSA-N 2 1 284.404 -0.835 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC001262201885 826660929 /nfs/dbraw/zinc/66/09/29/826660929.db2.gz IUKMWTCLYOBDHD-MXWKQRLJSA-N 2 1 261.391 -0.768 20 0 CBADMP CN1CC[C@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001262499477 826696105 /nfs/dbraw/zinc/69/61/05/826696105.db2.gz LXTCQOMLDJKTKG-QWHCGFSZSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001262499477 826696114 /nfs/dbraw/zinc/69/61/14/826696114.db2.gz LXTCQOMLDJKTKG-QWHCGFSZSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001262499477 826696118 /nfs/dbraw/zinc/69/61/18/826696118.db2.gz LXTCQOMLDJKTKG-QWHCGFSZSA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001262499477 826696123 /nfs/dbraw/zinc/69/61/23/826696123.db2.gz LXTCQOMLDJKTKG-QWHCGFSZSA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001262499477 826696129 /nfs/dbraw/zinc/69/61/29/826696129.db2.gz LXTCQOMLDJKTKG-QWHCGFSZSA-N 2 1 294.399 -0.497 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC[N@H+]1C ZINC001262542362 826702919 /nfs/dbraw/zinc/70/29/19/826702919.db2.gz YNRZGXHYROGICC-QNWHQSFQSA-N 2 1 296.415 -0.171 20 0 CBADMP CN1CCN(c2nccnc2C[NH3+])CC[N@@H+](C)CC1 ZINC001262707991 826725288 /nfs/dbraw/zinc/72/52/88/826725288.db2.gz MXJVFGJCIKBVGU-UHFFFAOYSA-N 2 1 264.377 -0.381 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC[N@H+]1C ZINC001263100186 826736781 /nfs/dbraw/zinc/73/67/81/826736781.db2.gz HHTLNVCHKPJTJP-PRULPYPASA-N 2 1 255.362 -0.302 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)O)C1 ZINC001263095725 826737301 /nfs/dbraw/zinc/73/73/01/826737301.db2.gz UXULYUMXEIGVEQ-GHMZBOCLSA-N 2 1 257.378 -0.067 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001263103254 826737777 /nfs/dbraw/zinc/73/77/77/826737777.db2.gz UELMWRLHENTIAG-ZFWWWQNUSA-N 2 1 298.431 -0.757 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001263102644 826737900 /nfs/dbraw/zinc/73/79/00/826737900.db2.gz ATIAIFXDXLIASQ-JMJZKYOTSA-N 2 1 255.362 -0.317 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001263107632 826739098 /nfs/dbraw/zinc/73/90/98/826739098.db2.gz ATLXJFPVCJWNTB-MXWKQRLJSA-N 2 1 263.345 -0.512 20 0 CBADMP Cc1cccc(NCCNC(=O)CN2CC[NH2+]CC2)[nH+]1 ZINC001263142801 826742672 /nfs/dbraw/zinc/74/26/72/826742672.db2.gz LQGOVQREGNZSKU-UHFFFAOYSA-N 2 1 277.372 -0.177 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC3(C[NH2+]C3)CC2)C1 ZINC001263151740 826745534 /nfs/dbraw/zinc/74/55/34/826745534.db2.gz KJPRSARBTZCFHJ-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC3(C[NH2+]C3)CC2)C1 ZINC001263151740 826745536 /nfs/dbraw/zinc/74/55/36/826745536.db2.gz KJPRSARBTZCFHJ-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP O=C(NCCCCC[NH+]1CCNCC1)[C@H]1CC[NH2+]1 ZINC001263207867 826753776 /nfs/dbraw/zinc/75/37/76/826753776.db2.gz SWFGTHJKJYVADD-GFCCVEGCSA-N 2 1 254.378 -0.460 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)Nc1cc2n(n1)CC[NH2+]C2 ZINC001263244970 826757990 /nfs/dbraw/zinc/75/79/90/826757990.db2.gz ULMRGTIMDWFUBS-SECBINFHSA-N 2 1 265.317 -0.697 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001263809677 826779550 /nfs/dbraw/zinc/77/95/50/826779550.db2.gz NOOSTAZQGYRAFC-RYUDHWBXSA-N 2 1 257.378 -0.148 20 0 CBADMP C[C@H]1CN2CCN1C[C@H]2C(=O)NCc1cncn1C ZINC001263858092 826786323 /nfs/dbraw/zinc/78/63/23/826786323.db2.gz VXJQUJMKHFSKJW-JQWIXIFHSA-N 2 1 263.345 -0.575 20 0 CBADMP C[NH+](C)CCC(=O)NCc1nc(C[NH2+]CCF)cc(=O)[nH]1 ZINC001264027044 826796718 /nfs/dbraw/zinc/79/67/18/826796718.db2.gz SVFZCOOGUMBWJO-UHFFFAOYSA-N 2 1 299.350 -0.191 20 0 CBADMP CO[C@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264973657 826825430 /nfs/dbraw/zinc/82/54/30/826825430.db2.gz FBJSBWWVMONLAQ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@H](C)C[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264973657 826825441 /nfs/dbraw/zinc/82/54/41/826825441.db2.gz FBJSBWWVMONLAQ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@H](C)C[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001264973657 826825450 /nfs/dbraw/zinc/82/54/50/826825450.db2.gz FBJSBWWVMONLAQ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@H](C)C[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001264973657 826825460 /nfs/dbraw/zinc/82/54/60/826825460.db2.gz FBJSBWWVMONLAQ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CC(=O)N(C)C)CC[N@H+]1C ZINC001264987631 826831548 /nfs/dbraw/zinc/83/15/48/826831548.db2.gz FMSVBODWOXKYPT-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[N@H+](C)CC(=O)N(C)C)CC[NH+]1C ZINC001264987631 826831563 /nfs/dbraw/zinc/83/15/63/826831563.db2.gz FMSVBODWOXKYPT-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[N@@H+](C)CC(=O)N(C)C)CC[NH+]1C ZINC001264987631 826831573 /nfs/dbraw/zinc/83/15/73/826831573.db2.gz FMSVBODWOXKYPT-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001265027135 826835299 /nfs/dbraw/zinc/83/52/99/826835299.db2.gz HBXWEHRHHQVEOH-UHFFFAOYSA-N 2 1 284.404 -0.488 20 0 CBADMP CNC(=O)C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001265156314 826854612 /nfs/dbraw/zinc/85/46/12/826854612.db2.gz VMRLIVUIOJBLOK-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001265156314 826854625 /nfs/dbraw/zinc/85/46/25/826854625.db2.gz VMRLIVUIOJBLOK-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001265156314 826854637 /nfs/dbraw/zinc/85/46/37/826854637.db2.gz VMRLIVUIOJBLOK-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH+](CC(N)=O)C2CC2)CC[N@H+]1C ZINC001265162993 826855545 /nfs/dbraw/zinc/85/55/45/826855545.db2.gz UCNGVTAXQNYCSY-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[N@H+](CC(N)=O)C2CC2)CC[NH+]1C ZINC001265162993 826855559 /nfs/dbraw/zinc/85/55/59/826855559.db2.gz UCNGVTAXQNYCSY-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[N@@H+](CC(N)=O)C2CC2)CC[NH+]1C ZINC001265162993 826855575 /nfs/dbraw/zinc/85/55/75/826855575.db2.gz UCNGVTAXQNYCSY-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001265223052 826859694 /nfs/dbraw/zinc/85/96/94/826859694.db2.gz PLLJMBVAJBCCKP-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001265276248 826872349 /nfs/dbraw/zinc/87/23/49/826872349.db2.gz AXVHNZBZGNJADM-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001265276248 826872357 /nfs/dbraw/zinc/87/23/57/826872357.db2.gz AXVHNZBZGNJADM-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265276248 826872369 /nfs/dbraw/zinc/87/23/69/826872369.db2.gz AXVHNZBZGNJADM-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265276248 826872381 /nfs/dbraw/zinc/87/23/81/826872381.db2.gz AXVHNZBZGNJADM-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001265318991 826882037 /nfs/dbraw/zinc/88/20/37/826882037.db2.gz GPESSXUWNXXOST-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@@H](C)O)C1 ZINC001265318991 826882049 /nfs/dbraw/zinc/88/20/49/826882049.db2.gz GPESSXUWNXXOST-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@@H](C)O)C1 ZINC001265318991 826882058 /nfs/dbraw/zinc/88/20/58/826882058.db2.gz GPESSXUWNXXOST-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP CCOCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001265760830 826915344 /nfs/dbraw/zinc/91/53/44/826915344.db2.gz IBHSMXOOZACHKD-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP CCOCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001265760830 826915352 /nfs/dbraw/zinc/91/53/52/826915352.db2.gz IBHSMXOOZACHKD-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001265922807 826938833 /nfs/dbraw/zinc/93/88/33/826938833.db2.gz HWFZNPUVIXEUAK-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001265922807 826938837 /nfs/dbraw/zinc/93/88/37/826938837.db2.gz HWFZNPUVIXEUAK-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001265922807 826938840 /nfs/dbraw/zinc/93/88/40/826938840.db2.gz HWFZNPUVIXEUAK-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001265922805 826939033 /nfs/dbraw/zinc/93/90/33/826939033.db2.gz HWFZNPUVIXEUAK-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001265922805 826939035 /nfs/dbraw/zinc/93/90/35/826939035.db2.gz HWFZNPUVIXEUAK-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001265922805 826939044 /nfs/dbraw/zinc/93/90/44/826939044.db2.gz HWFZNPUVIXEUAK-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001266042917 826948332 /nfs/dbraw/zinc/94/83/32/826948332.db2.gz PUIHCEHGDQYIJJ-ZDUSSCGKSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266275169 826969230 /nfs/dbraw/zinc/96/92/30/826969230.db2.gz PIFMHBHKZLBOEH-WCQYABFASA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266326680 826985113 /nfs/dbraw/zinc/98/51/13/826985113.db2.gz HGJURABSTFNHMI-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001266326680 826985119 /nfs/dbraw/zinc/98/51/19/826985119.db2.gz HGJURABSTFNHMI-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001266326680 826985125 /nfs/dbraw/zinc/98/51/25/826985125.db2.gz HGJURABSTFNHMI-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+](CCCO)C1 ZINC001266549205 827019066 /nfs/dbraw/zinc/01/90/66/827019066.db2.gz PVMUOHCXUVTMCO-ZDUSSCGKSA-N 2 1 269.389 -0.097 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+](CCCO)C1 ZINC001266549204 827019418 /nfs/dbraw/zinc/01/94/18/827019418.db2.gz PVMUOHCXUVTMCO-CYBMUJFWSA-N 2 1 269.389 -0.097 20 0 CBADMP CCOCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001266555465 827022805 /nfs/dbraw/zinc/02/28/05/827022805.db2.gz YWZNNXLWRAAEDM-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP CN(CC[NH2+]CCn1cncn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001266660443 827043345 /nfs/dbraw/zinc/04/33/45/827043345.db2.gz OQKNUQAMKKIQCN-GFCCVEGCSA-N 2 1 280.376 -0.580 20 0 CBADMP COCCC[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266666942 827043751 /nfs/dbraw/zinc/04/37/51/827043751.db2.gz JYXVTDJZOYFHAI-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP COCCC[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266666942 827043760 /nfs/dbraw/zinc/04/37/60/827043760.db2.gz JYXVTDJZOYFHAI-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+]Cc1cnnn1C ZINC001266774928 827065743 /nfs/dbraw/zinc/06/57/43/827065743.db2.gz OXBAVCMMMWFBAN-UHFFFAOYSA-N 2 1 291.359 -0.432 20 0 CBADMP CN(CC[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266809511 827070508 /nfs/dbraw/zinc/07/05/08/827070508.db2.gz ZLCDBOVJSMEUKF-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CN(CC[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001266809511 827070515 /nfs/dbraw/zinc/07/05/15/827070515.db2.gz ZLCDBOVJSMEUKF-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CCC([NH2+]CCCO)CC2)C1 ZINC001266908701 827081253 /nfs/dbraw/zinc/08/12/53/827081253.db2.gz ZFINMYDVGKFHCA-JXQTWKCFSA-N 2 1 299.415 -0.284 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC2CCC([NH2+]CCCO)CC2)C1 ZINC001266908701 827081264 /nfs/dbraw/zinc/08/12/64/827081264.db2.gz ZFINMYDVGKFHCA-JXQTWKCFSA-N 2 1 299.415 -0.284 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001267004620 827106914 /nfs/dbraw/zinc/10/69/14/827106914.db2.gz FZWXDHVILDZFBW-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CCCO ZINC001266984510 827102484 /nfs/dbraw/zinc/10/24/84/827102484.db2.gz BYFJRXJGIJRNTL-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H](C)[NH2+]CCCO)C1 ZINC001267154411 827119169 /nfs/dbraw/zinc/11/91/69/827119169.db2.gz CTJIYGJBQDMYOU-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H](C)[NH2+]CCCO)C1 ZINC001267154411 827119173 /nfs/dbraw/zinc/11/91/73/827119173.db2.gz CTJIYGJBQDMYOU-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001267354876 827156516 /nfs/dbraw/zinc/15/65/16/827156516.db2.gz AUPBPBQMJPMRQM-MNOVXSKESA-N 2 1 268.361 -0.983 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC(N)=O ZINC001267372490 827160029 /nfs/dbraw/zinc/16/00/29/827160029.db2.gz RZRNEUDLPVEYPR-LLVKDONJSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267375227 827161894 /nfs/dbraw/zinc/16/18/94/827161894.db2.gz ZXTCUBICCTXGMV-QJPTWQEYSA-N 2 1 257.378 -0.245 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001267383948 827163284 /nfs/dbraw/zinc/16/32/84/827163284.db2.gz FSONCZWUZNQURB-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]C[C@@H](C)OC)C1 ZINC001267471256 827175259 /nfs/dbraw/zinc/17/52/59/827175259.db2.gz ANUABFXUOOYLOY-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]C[C@@H](C)OC)C1 ZINC001267471256 827175264 /nfs/dbraw/zinc/17/52/64/827175264.db2.gz ANUABFXUOOYLOY-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]C[C@H](C)O)C1 ZINC001267471976 827175331 /nfs/dbraw/zinc/17/53/31/827175331.db2.gz YPBSWITUVCNANI-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]C[C@H](C)O)C1 ZINC001267471976 827175333 /nfs/dbraw/zinc/17/53/33/827175333.db2.gz YPBSWITUVCNANI-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)CC1 ZINC001267728913 827207304 /nfs/dbraw/zinc/20/73/04/827207304.db2.gz JVKARPVANHEUKJ-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001267732595 827210095 /nfs/dbraw/zinc/21/00/95/827210095.db2.gz VTKYEYWYVTXTCU-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001267732595 827210106 /nfs/dbraw/zinc/21/01/06/827210106.db2.gz VTKYEYWYVTXTCU-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C[NH2+]CCn1cncn1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268099574 827256772 /nfs/dbraw/zinc/25/67/72/827256772.db2.gz GKWYXHLDIUELEM-CHWSQXEVSA-N 2 1 294.403 -0.334 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CCC2CC2)C1 ZINC001268333906 827305639 /nfs/dbraw/zinc/30/56/39/827305639.db2.gz ICAFCYGUWPINSD-KBPBESRZSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CCC2CC2)C1 ZINC001268333906 827305650 /nfs/dbraw/zinc/30/56/50/827305650.db2.gz ICAFCYGUWPINSD-KBPBESRZSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268390735 827320722 /nfs/dbraw/zinc/32/07/22/827320722.db2.gz GFRMKCJVVGBZRL-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCN(CC[NH2+]C[C@H](C)OC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268442341 827331110 /nfs/dbraw/zinc/33/11/10/827331110.db2.gz BIMVWCLUYKPUQZ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CCN(CC[NH2+]C[C@H](C)OC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268442341 827331122 /nfs/dbraw/zinc/33/11/22/827331122.db2.gz BIMVWCLUYKPUQZ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CCN(CC[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268497266 827342215 /nfs/dbraw/zinc/34/22/15/827342215.db2.gz JAFREBAPDURKIQ-LBPRGKRZSA-N 2 1 294.403 -0.295 20 0 CBADMP CCN(CC[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268497266 827342225 /nfs/dbraw/zinc/34/22/25/827342225.db2.gz JAFREBAPDURKIQ-LBPRGKRZSA-N 2 1 294.403 -0.295 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CCO)CC[N@H+]1C ZINC001268542341 827360946 /nfs/dbraw/zinc/36/09/46/827360946.db2.gz OUTVHZDVEWVKKK-OEFFGFFESA-N 2 1 269.389 -0.029 20 0 CBADMP CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001268555247 827362154 /nfs/dbraw/zinc/36/21/54/827362154.db2.gz ICJLMZAINSDQTJ-CFHLNLSMSA-N 2 1 296.415 -0.131 20 0 CBADMP C[C@H]([NH2+]C/C=C/CNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001268550917 827362452 /nfs/dbraw/zinc/36/24/52/827362452.db2.gz XADQQHXNZKUFOX-UFFNRZRYSA-N 2 1 282.388 -0.394 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268556506 827362538 /nfs/dbraw/zinc/36/25/38/827362538.db2.gz PNLXANMCTABWTA-IBPBTGAJSA-N 2 1 296.415 -0.133 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)Cn1c[nH+]cc1C ZINC001268568352 827367012 /nfs/dbraw/zinc/36/70/12/827367012.db2.gz RXRZCANVNOMPJP-ITKZLYELSA-N 2 1 293.371 -0.412 20 0 CBADMP CC[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001268579982 827372165 /nfs/dbraw/zinc/37/21/65/827372165.db2.gz UTFGTWXRSJWXBH-PBJSTTKNSA-N 2 1 296.415 -0.003 20 0 CBADMP CC(C)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268628214 827381850 /nfs/dbraw/zinc/38/18/50/827381850.db2.gz ZQYOZJIMMIQQEH-ZFDPJTLLSA-N 2 1 296.415 -0.275 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)O)C1)[NH+](C)C ZINC001269171984 827471640 /nfs/dbraw/zinc/47/16/40/827471640.db2.gz GNVAKCKCYCQCHB-UTUOFQBUSA-N 2 1 257.378 -0.102 20 0 CBADMP CN(CCC[NH2+]Cc1nncn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268946971 827442790 /nfs/dbraw/zinc/44/27/90/827442790.db2.gz WQKSDHMUDSUBLE-LBPRGKRZSA-N 2 1 294.403 -0.295 20 0 CBADMP CCCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268945968 827443239 /nfs/dbraw/zinc/44/32/39/827443239.db2.gz JMDBSKCJJJZBAX-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH2+]CC(N)=O ZINC001268958780 827444823 /nfs/dbraw/zinc/44/48/23/827444823.db2.gz OXAURXIWOKTEOW-UHFFFAOYSA-N 2 1 258.366 -0.750 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001268958465 827445086 /nfs/dbraw/zinc/44/50/86/827445086.db2.gz KULZGUJEDYXBJF-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CN(CC(=O)N1CCC[C@]2(C1)C[N@H+](C)CCO2)C(N)=[NH2+] ZINC001268996504 827447440 /nfs/dbraw/zinc/44/74/40/827447440.db2.gz MCOVUYJXAHFATG-CYBMUJFWSA-N 2 1 283.376 -0.865 20 0 CBADMP CN(CC(=O)N1CCC[C@]2(C1)C[N@@H+](C)CCO2)C(N)=[NH2+] ZINC001268996504 827447445 /nfs/dbraw/zinc/44/74/45/827447445.db2.gz MCOVUYJXAHFATG-CYBMUJFWSA-N 2 1 283.376 -0.865 20 0 CBADMP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1CCCO)[NH+](C)C ZINC001269255473 827483737 /nfs/dbraw/zinc/48/37/37/827483737.db2.gz PRNNXRNYSRITGW-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001269522870 827516388 /nfs/dbraw/zinc/51/63/88/827516388.db2.gz UJUIITYNTJVKHT-NEPJUHHUSA-N 2 1 269.389 -0.053 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CCO)C2)C1 ZINC001269712392 827525534 /nfs/dbraw/zinc/52/55/34/827525534.db2.gz PIEDNEQFMUFEMI-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CCO)C2)C1 ZINC001269712392 827525537 /nfs/dbraw/zinc/52/55/37/827525537.db2.gz PIEDNEQFMUFEMI-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CCO ZINC001270174662 827551211 /nfs/dbraw/zinc/55/12/11/827551211.db2.gz PGEQWDLKJUCDDR-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCO)C1 ZINC001270187281 827552636 /nfs/dbraw/zinc/55/26/36/827552636.db2.gz HSKIUFIWRIQMGK-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]CCO ZINC001270436883 827568751 /nfs/dbraw/zinc/56/87/51/827568751.db2.gz SOFRZUCDIJFJKU-VXGBXAGGSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]CCO ZINC001270436881 827568873 /nfs/dbraw/zinc/56/88/73/827568873.db2.gz SOFRZUCDIJFJKU-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP CC[N@@H+](C)CC(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001271083133 827620280 /nfs/dbraw/zinc/62/02/80/827620280.db2.gz ANHPXGQIOPTNSD-OKILXGFUSA-N 2 1 298.431 -0.589 20 0 CBADMP C[C@H](C[NH2+]CCO)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001271172133 827672136 /nfs/dbraw/zinc/67/21/36/827672136.db2.gz WZFAZVGVVZXJFI-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC(N)=O)C1 ZINC001271610344 827714621 /nfs/dbraw/zinc/71/46/21/827714621.db2.gz VYZPCMMUAXWDJA-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001271801262 827727351 /nfs/dbraw/zinc/72/73/51/827727351.db2.gz HLCDKHPEHNJZFL-TXEJJXNPSA-N 2 1 267.373 -0.252 20 0 CBADMP CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001271996213 827748011 /nfs/dbraw/zinc/74/80/11/827748011.db2.gz JOBQJUVZWZOJBS-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001271996213 827748019 /nfs/dbraw/zinc/74/80/19/827748019.db2.gz JOBQJUVZWZOJBS-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271996213 827748025 /nfs/dbraw/zinc/74/80/25/827748025.db2.gz JOBQJUVZWZOJBS-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]CC2CC2)C1 ZINC001272315698 827780188 /nfs/dbraw/zinc/78/01/88/827780188.db2.gz UEEIYBXEXXEGQR-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]CC2CC2)C1 ZINC001272315698 827780192 /nfs/dbraw/zinc/78/01/92/827780192.db2.gz UEEIYBXEXXEGQR-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CCF)CC[N@H+]1C ZINC001272413589 827794423 /nfs/dbraw/zinc/79/44/23/827794423.db2.gz FBSKDTAOMWYBFP-GMTAPVOTSA-N 2 1 261.341 -0.637 20 0 CBADMP CC[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272437508 827797070 /nfs/dbraw/zinc/79/70/70/827797070.db2.gz KCLUTRIYIQGENP-ZDUSSCGKSA-N 2 1 255.362 -0.129 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001272534779 827815406 /nfs/dbraw/zinc/81/54/06/827815406.db2.gz OMHYZVDJTWTBHH-OAHLLOKOSA-N 2 1 296.415 -0.297 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001272534779 827815416 /nfs/dbraw/zinc/81/54/16/827815416.db2.gz OMHYZVDJTWTBHH-OAHLLOKOSA-N 2 1 296.415 -0.297 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CC[NH+]2C ZINC001272555005 827820441 /nfs/dbraw/zinc/82/04/41/827820441.db2.gz JRIDQSHEKDUYGC-RWMBFGLXSA-N 2 1 266.389 -0.463 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C ZINC001272555005 827820451 /nfs/dbraw/zinc/82/04/51/827820451.db2.gz JRIDQSHEKDUYGC-RWMBFGLXSA-N 2 1 266.389 -0.463 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C ZINC001272555005 827820459 /nfs/dbraw/zinc/82/04/59/827820459.db2.gz JRIDQSHEKDUYGC-RWMBFGLXSA-N 2 1 266.389 -0.463 20 0 CBADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001272555733 827820942 /nfs/dbraw/zinc/82/09/42/827820942.db2.gz RKKFBSGOXJTTQS-GSPSYOTPSA-N 2 1 280.416 -0.026 20 0 CBADMP C[C@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001272688016 827833325 /nfs/dbraw/zinc/83/33/25/827833325.db2.gz FDAKPBGFCFDFIQ-DGCLKSJQSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001272689156 827833678 /nfs/dbraw/zinc/83/36/78/827833678.db2.gz YCFIXOLRRNDOCH-MNOVXSKESA-N 2 1 295.391 -0.711 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CC[NH2+]CC(=O)N(C)C ZINC001273184537 827871733 /nfs/dbraw/zinc/87/17/33/827871733.db2.gz RRCCCQLESKZAKT-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001273298487 827886784 /nfs/dbraw/zinc/88/67/84/827886784.db2.gz QRYXFECXYXGWMP-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCN1CC2(C1)CN(C(=O)C[NH+]1CCC1)C2 ZINC001273366296 827894718 /nfs/dbraw/zinc/89/47/18/827894718.db2.gz AWOSAOHFEPSLHJ-UHFFFAOYSA-N 2 1 266.389 -0.602 20 0 CBADMP CCN(CC[NH2+]CCO)C(=O)Cn1c[nH+]cc1C ZINC001273513460 827905004 /nfs/dbraw/zinc/90/50/04/827905004.db2.gz LNHBACYTRFAFAD-UHFFFAOYSA-N 2 1 254.334 -0.378 20 0 CBADMP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001273554213 827910926 /nfs/dbraw/zinc/91/09/26/827910926.db2.gz IJCJUWWRYDMDKF-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CCN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001273652931 827915726 /nfs/dbraw/zinc/91/57/26/827915726.db2.gz JTAWHRYRRIVJJF-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP CCN(CC[NH2+]CC(N)=O)C(=O)Cn1cc[nH+]c1C(C)C ZINC001273637205 827916049 /nfs/dbraw/zinc/91/60/49/827916049.db2.gz IQXMCSKZKVNTSB-UHFFFAOYSA-N 2 1 295.387 -0.070 20 0 CBADMP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001273652932 827916215 /nfs/dbraw/zinc/91/62/15/827916215.db2.gz JTAWHRYRRIVJJF-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001273652929 827916260 /nfs/dbraw/zinc/91/62/60/827916260.db2.gz JTAWHRYRRIVJJF-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273703097 827919283 /nfs/dbraw/zinc/91/92/83/827919283.db2.gz CDCAQERSDDSROJ-DOMZBBRYSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273703097 827919291 /nfs/dbraw/zinc/91/92/91/827919291.db2.gz CDCAQERSDDSROJ-DOMZBBRYSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273703248 827920127 /nfs/dbraw/zinc/92/01/27/827920127.db2.gz DQXLPCIODATJNK-WFASDCNBSA-N 2 1 296.415 -0.264 20 0 CBADMP CCNC(=O)C[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273699509 827920371 /nfs/dbraw/zinc/92/03/71/827920371.db2.gz MRRUUZAXZRTQTD-HNNXBMFYSA-N 2 1 296.415 -0.249 20 0 CBADMP CCNC(=O)C[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273699509 827920374 /nfs/dbraw/zinc/92/03/74/827920374.db2.gz MRRUUZAXZRTQTD-HNNXBMFYSA-N 2 1 296.415 -0.249 20 0 CBADMP CC(C)[C@H](O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273894342 827939555 /nfs/dbraw/zinc/93/95/55/827939555.db2.gz KAKFLTXBWDJXSJ-CYBMUJFWSA-N 2 1 299.415 -0.522 20 0 CBADMP CC(=O)NCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001274000365 827951714 /nfs/dbraw/zinc/95/17/14/827951714.db2.gz SGPQNXIEVZGOHQ-ZIAGYGMSSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(=O)NCC[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273999067 827951745 /nfs/dbraw/zinc/95/17/45/827951745.db2.gz HDMQXIHIIBPDOK-OAHLLOKOSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274046476 827956169 /nfs/dbraw/zinc/95/61/69/827956169.db2.gz FDUJSHMINAAQGR-DZGCQCFKSA-N 2 1 299.415 -0.520 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]C[C@@H](C)O ZINC001274611863 828012882 /nfs/dbraw/zinc/01/28/82/828012882.db2.gz XCNRJWUTTSXNRD-BTDICHCPSA-N 2 1 257.378 -0.031 20 0 CBADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](CC(N)=O)CC2)C1=O ZINC001274061945 827962481 /nfs/dbraw/zinc/96/24/81/827962481.db2.gz JHMWTRUJWVKGIO-HNNXBMFYSA-N 2 1 296.415 -0.262 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC2CC2)C1 ZINC001274578080 828004863 /nfs/dbraw/zinc/00/48/63/828004863.db2.gz FBONLOBBJLDQJV-ZZKXABKFSA-N 2 1 294.399 -0.521 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001274588684 828005903 /nfs/dbraw/zinc/00/59/03/828005903.db2.gz LKVHBUPNCHMXKN-UHFFFAOYSA-N 2 1 287.404 -0.738 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)C[N@@H+](C)C(C)C ZINC001274608135 828007795 /nfs/dbraw/zinc/00/77/95/828007795.db2.gz DMVIIVGYOHMOQS-ZHRWSRJISA-N 2 1 284.404 -0.277 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001275172823 828062726 /nfs/dbraw/zinc/06/27/26/828062726.db2.gz WLDZMQGHMHBXCQ-ILXRZTDVSA-N 2 1 283.416 -0.031 20 0 CBADMP C[NH+](C)CCN1CCC12C[NH+](C[C@H]1CCC(=O)N1)C2 ZINC001275187652 828064378 /nfs/dbraw/zinc/06/43/78/828064378.db2.gz KCWQAXAMAIDKPH-GFCCVEGCSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](CCN1CCOCC1)C2 ZINC001275990340 828128839 /nfs/dbraw/zinc/12/88/39/828128839.db2.gz IEGGTFMZHKADBP-CVEARBPZSA-N 2 1 296.459 -0.114 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CCOCCO ZINC001276002253 828129781 /nfs/dbraw/zinc/12/97/81/828129781.db2.gz JSINLDVKZHCKTK-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CCOCCO ZINC001276002253 828129787 /nfs/dbraw/zinc/12/97/87/828129787.db2.gz JSINLDVKZHCKTK-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CCOCCO ZINC001276002253 828129791 /nfs/dbraw/zinc/12/97/91/828129791.db2.gz JSINLDVKZHCKTK-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001276076409 828132829 /nfs/dbraw/zinc/13/28/29/828132829.db2.gz OWPFJQVPMZYZTC-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](O)C[NH2+]CCCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001276279684 828139831 /nfs/dbraw/zinc/13/98/31/828139831.db2.gz UCIJGWWWMLSFNL-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH2+]CC(=O)N1CCC1 ZINC001276399928 828144190 /nfs/dbraw/zinc/14/41/90/828144190.db2.gz RXXFVGKAXHLHJO-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC3(C)COC3)C[C@H]21 ZINC001276422751 828145572 /nfs/dbraw/zinc/14/55/72/828145572.db2.gz XXIBUHYZGWQSLS-KGLIPLIRSA-N 2 1 283.416 -0.031 20 0 CBADMP COC(=O)[C@H](C)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276524213 828148239 /nfs/dbraw/zinc/14/82/39/828148239.db2.gz YXINRDKMNKHGHO-MCIONIFRSA-N 2 1 299.415 -0.258 20 0 CBADMP C[NH+](C)CCN1CCC12C[NH+](C[C@H]1COCCO1)C2 ZINC001277526839 828193099 /nfs/dbraw/zinc/19/30/99/828193099.db2.gz PEHCYIRCOLIXRM-ZDUSSCGKSA-N 2 1 269.389 -0.277 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CCn3ccnc3)C[C@@H]21 ZINC001277544553 828194026 /nfs/dbraw/zinc/19/40/26/828194026.db2.gz KGCUCRLWQAGYOB-GJZGRUSLSA-N 2 1 293.415 -0.170 20 0 CBADMP C[N@@H+](CCO)CCOCCNC(=O)C12CC[NH+](CC1)C2 ZINC001277536019 828194353 /nfs/dbraw/zinc/19/43/53/828194353.db2.gz YTUSSPDVRMXRRY-UHFFFAOYSA-N 2 1 285.388 -0.861 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NC1CC1)C2 ZINC001277630095 828198931 /nfs/dbraw/zinc/19/89/31/828198931.db2.gz CHDXWOGONXTBJE-OCCSQVGLSA-N 2 1 280.416 -0.167 20 0 CBADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC001277982231 828225996 /nfs/dbraw/zinc/22/59/96/828225996.db2.gz VLOHHAFBUQQRHG-UHFFFAOYSA-N 2 1 254.378 -0.569 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H]2CC[NH+](CCN(C)C)CC[C@@H]2C1 ZINC001278014338 828230481 /nfs/dbraw/zinc/23/04/81/828230481.db2.gz YMKRYOMRWWQIMX-OKILXGFUSA-N 2 1 282.432 -0.062 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H]2CC[N@@H+](CCN(C)C)CC[C@@H]2C1 ZINC001278014338 828230486 /nfs/dbraw/zinc/23/04/86/828230486.db2.gz YMKRYOMRWWQIMX-OKILXGFUSA-N 2 1 282.432 -0.062 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H]2CC[N@H+](CCN(C)C)CC[C@@H]2C1 ZINC001278014338 828230493 /nfs/dbraw/zinc/23/04/93/828230493.db2.gz YMKRYOMRWWQIMX-OKILXGFUSA-N 2 1 282.432 -0.062 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001278014338 828230497 /nfs/dbraw/zinc/23/04/97/828230497.db2.gz YMKRYOMRWWQIMX-OKILXGFUSA-N 2 1 282.432 -0.062 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001278014338 828230502 /nfs/dbraw/zinc/23/05/02/828230502.db2.gz YMKRYOMRWWQIMX-OKILXGFUSA-N 2 1 282.432 -0.062 20 0 CBADMP CNC(=O)C[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001278012811 828230669 /nfs/dbraw/zinc/23/06/69/828230669.db2.gz HURFMCXEKBMUBH-UHFFFAOYSA-N 2 1 268.405 -0.308 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001278029715 828232966 /nfs/dbraw/zinc/23/29/66/828232966.db2.gz UGRBFBFUEBIZQH-UTUOFQBUSA-N 2 1 294.399 -0.608 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001278029715 828232972 /nfs/dbraw/zinc/23/29/72/828232972.db2.gz UGRBFBFUEBIZQH-UTUOFQBUSA-N 2 1 294.399 -0.608 20 0 CBADMP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3C[N@H+](C)C[C@H]23)CC1 ZINC001278096123 828245326 /nfs/dbraw/zinc/24/53/26/828245326.db2.gz FFNBJUBOQNIYIS-NWDGAFQWSA-N 2 1 280.372 -0.145 20 0 CBADMP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3C[N@@H+](C)C[C@H]23)CC1 ZINC001278096123 828245332 /nfs/dbraw/zinc/24/53/32/828245332.db2.gz FFNBJUBOQNIYIS-NWDGAFQWSA-N 2 1 280.372 -0.145 20 0 CBADMP C[N@@H+]1C[C@@H]2CCN(C(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC001278270727 828262784 /nfs/dbraw/zinc/26/27/84/828262784.db2.gz LFVWHTQNQQQPEW-NWDGAFQWSA-N 2 1 252.362 -0.010 20 0 CBADMP C[N@H+]1C[C@@H]2CCN(C(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC001278270727 828262789 /nfs/dbraw/zinc/26/27/89/828262789.db2.gz LFVWHTQNQQQPEW-NWDGAFQWSA-N 2 1 252.362 -0.010 20 0 CBADMP CN(C[C@H](O)C[NH2+]CCF)C(=O)[C@H]1CCC[N@H+]1C ZINC001278737761 828279796 /nfs/dbraw/zinc/27/97/96/828279796.db2.gz UHVVTHJGFGJRLU-GHMZBOCLSA-N 2 1 261.341 -0.541 20 0 CBADMP CN(C[C@@H](O)C[NH2+]CCCF)C(=O)[C@H]1CCC[N@H+]1C ZINC001278791700 828289328 /nfs/dbraw/zinc/28/93/28/828289328.db2.gz OKRXSTJCHMGTBE-NWDGAFQWSA-N 2 1 275.368 -0.151 20 0 CBADMP C[C@H]([NH3+])C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC001326076838 884901515 /nfs/dbraw/zinc/90/15/15/884901515.db2.gz IISQETDLOABUBW-VIFPVBQESA-N 2 1 251.334 -0.148 20 0 CBADMP C[C@H](C(=O)NCC1=CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC001326611537 885089725 /nfs/dbraw/zinc/08/97/25/885089725.db2.gz IVRJOVSEGBFVIM-GFCCVEGCSA-N 2 1 266.389 -0.342 20 0 CBADMP C[NH2+][C@H](C(=O)NCC[C@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC001327059346 885241235 /nfs/dbraw/zinc/24/12/35/885241235.db2.gz JVPSIBNFPGKAHZ-PWSUYJOCSA-N 2 1 265.361 -0.204 20 0 CBADMP C[NH2+][C@H](C(=O)NCCC1(C[NH3+])CC1)c1cnn(C)c1 ZINC001327450911 885357309 /nfs/dbraw/zinc/35/73/09/885357309.db2.gz ZTXGCGVTZHMYIM-NSHDSACASA-N 2 1 265.361 -0.074 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001327501400 885377702 /nfs/dbraw/zinc/37/77/02/885377702.db2.gz XKKJBAJSINLAOG-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@]12COC[C@@H]1C[N@@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001327560873 885408083 /nfs/dbraw/zinc/40/80/83/885408083.db2.gz AFDTYKKKARXVGF-WCQYABFASA-N 2 1 253.346 -0.614 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001327710867 885459158 /nfs/dbraw/zinc/45/91/58/885459158.db2.gz IZYKXTHQQUWYAZ-CHWSQXEVSA-N 2 1 257.378 -0.950 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001327710867 885459163 /nfs/dbraw/zinc/45/91/63/885459163.db2.gz IZYKXTHQQUWYAZ-CHWSQXEVSA-N 2 1 257.378 -0.950 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001327710867 885459168 /nfs/dbraw/zinc/45/91/68/885459168.db2.gz IZYKXTHQQUWYAZ-CHWSQXEVSA-N 2 1 257.378 -0.950 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001328412263 885678093 /nfs/dbraw/zinc/67/80/93/885678093.db2.gz HTTJRBMDNHSROE-UPJWGTAASA-N 3 1 266.389 -0.665 20 0 CBADMP COCC[NH2+]CC1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001328841056 885825045 /nfs/dbraw/zinc/82/50/45/885825045.db2.gz IPGYSLIGLNFFHU-BPCQOVAHSA-N 2 1 285.388 -0.552 20 0 CBADMP COCC[NH2+]CC1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001328841056 885825057 /nfs/dbraw/zinc/82/50/57/885825057.db2.gz IPGYSLIGLNFFHU-BPCQOVAHSA-N 2 1 285.388 -0.552 20 0 CBADMP COCC[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001328841058 885826890 /nfs/dbraw/zinc/82/68/90/885826890.db2.gz IPGYSLIGLNFFHU-WXRRBKDZSA-N 2 1 285.388 -0.552 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3=NO[C@@H](C[NH3+])C3)CC[C@@H]21 ZINC001330641124 886513571 /nfs/dbraw/zinc/51/35/71/886513571.db2.gz PTHQVCLYHGJBDX-FOGDFJRCSA-N 2 1 266.345 -0.357 20 0 CBADMP [NH3+]CCOCC[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001332280069 887180638 /nfs/dbraw/zinc/18/06/38/887180638.db2.gz ZCKNHRZDLHEHRA-MNOVXSKESA-N 2 1 262.375 -0.672 20 0 CBADMP [NH3+]CCOCC[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001332280069 887180645 /nfs/dbraw/zinc/18/06/45/887180645.db2.gz ZCKNHRZDLHEHRA-MNOVXSKESA-N 2 1 262.375 -0.672 20 0 CBADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCOCC[NH3+])CC2)C1 ZINC001332520933 887336509 /nfs/dbraw/zinc/33/65/09/887336509.db2.gz WXZGBTQGFJNZBL-CQSZACIVSA-N 3 1 270.421 -0.327 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCOCC[NH3+])CC2)C1 ZINC001332520933 887336523 /nfs/dbraw/zinc/33/65/23/887336523.db2.gz WXZGBTQGFJNZBL-CQSZACIVSA-N 3 1 270.421 -0.327 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001332563641 887359806 /nfs/dbraw/zinc/35/98/06/887359806.db2.gz LJZJTLVAAZYAON-CYBMUJFWSA-N 2 1 266.389 -0.461 20 0 CBADMP COCCOCC[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC001332628175 887381735 /nfs/dbraw/zinc/38/17/35/887381735.db2.gz OAZWRVNORADEBB-AWEZNQCLSA-N 2 1 271.405 -0.124 20 0 CBADMP Cn1ncnc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC001332674429 887400162 /nfs/dbraw/zinc/40/01/62/887400162.db2.gz OVRQIUMYEIGUTR-UHFFFAOYSA-N 2 1 266.393 -0.068 20 0 CBADMP Cn1ncnc1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC001332674429 887400175 /nfs/dbraw/zinc/40/01/75/887400175.db2.gz OVRQIUMYEIGUTR-UHFFFAOYSA-N 2 1 266.393 -0.068 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CCO)C(C)(C)C)C1 ZINC001332776448 887428091 /nfs/dbraw/zinc/42/80/91/887428091.db2.gz SXUFKPQMJGEITJ-VXGBXAGGSA-N 2 1 287.404 -0.570 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CCO)C(C)(C)C)C1 ZINC001332776448 887428100 /nfs/dbraw/zinc/42/81/00/887428100.db2.gz SXUFKPQMJGEITJ-VXGBXAGGSA-N 2 1 287.404 -0.570 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CCO)C(C)(C)C)C1 ZINC001332776443 887429112 /nfs/dbraw/zinc/42/91/12/887429112.db2.gz SXUFKPQMJGEITJ-RYUDHWBXSA-N 2 1 287.404 -0.570 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CCO)C(C)(C)C)C1 ZINC001332776443 887429120 /nfs/dbraw/zinc/42/91/20/887429120.db2.gz SXUFKPQMJGEITJ-RYUDHWBXSA-N 2 1 287.404 -0.570 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)CC[N@H+]1C ZINC001335207469 888447242 /nfs/dbraw/zinc/44/72/42/888447242.db2.gz RPHBVZTXSWNDNF-UWVGGRQHSA-N 2 1 268.361 -0.807 20 0 CBADMP C[C@](Cn1cccn1)([NH2+]C[C@@H]1CC[NH2+]C1)C(N)=O ZINC001335271354 888479426 /nfs/dbraw/zinc/47/94/26/888479426.db2.gz DNXICMPLKXQPOU-ZYHUDNBSSA-N 2 1 251.334 -0.674 20 0 CBADMP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1nncn1C ZINC001335449697 888534799 /nfs/dbraw/zinc/53/47/99/888534799.db2.gz UNZYLTGOOJAVJX-JQWIXIFHSA-N 2 1 267.377 -0.037 20 0 CBADMP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1nncn1C ZINC001335449697 888534807 /nfs/dbraw/zinc/53/48/07/888534807.db2.gz UNZYLTGOOJAVJX-JQWIXIFHSA-N 2 1 267.377 -0.037 20 0 CBADMP CC1(C)CN(C(=O)NCC(F)(F)C[NH3+])C[C@H]1[NH3+] ZINC001336895566 888913651 /nfs/dbraw/zinc/91/36/51/888913651.db2.gz HRROBSNPZLAJNU-SSDOTTSWSA-N 2 1 250.293 -0.041 20 0 CBADMP C[NH+]1CCC([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC001337856316 889088335 /nfs/dbraw/zinc/08/83/35/889088335.db2.gz UWGVYIXVWJSVLG-CHWSQXEVSA-N 2 1 258.362 -0.427 20 0 CBADMP COCCOC[C@H](O)C[NH2+][C@@H]1CCn2c[nH+]cc2C1 ZINC001338534302 889172759 /nfs/dbraw/zinc/17/27/59/889172759.db2.gz FFPSANCRGGJCNM-DGCLKSJQSA-N 2 1 269.345 -0.189 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC[N@H+]1C ZINC001340473358 889436333 /nfs/dbraw/zinc/43/63/33/889436333.db2.gz PSCWFZYVTKTDMA-GRYCIOLGSA-N 2 1 267.373 -0.036 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](O)C[NH3+])CC2 ZINC001340643845 889459245 /nfs/dbraw/zinc/45/92/45/889459245.db2.gz JYFXGMLTEZHORT-ONGXEEELSA-N 2 1 252.318 -0.810 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001340839536 889495655 /nfs/dbraw/zinc/49/56/55/889495655.db2.gz TVBQGZSHZGSNIK-QWRGUYRKSA-N 2 1 257.378 -0.245 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001341633545 889638234 /nfs/dbraw/zinc/63/82/34/889638234.db2.gz FIGRWIXDJANFQI-OFTGVCEQSA-N 2 1 266.389 -0.668 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC001341690885 889648250 /nfs/dbraw/zinc/64/82/50/889648250.db2.gz PBIXSJJYMHJNPA-LBPRGKRZSA-N 3 1 268.405 -0.085 20 0 CBADMP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)CC1 ZINC001443687398 912257263 /nfs/dbraw/zinc/25/72/63/912257263.db2.gz MFXVXQSNTXNXAD-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@H](CO)C1 ZINC001342034243 889700982 /nfs/dbraw/zinc/70/09/82/889700982.db2.gz HPESECKRTIPPCN-GMXVVIOVSA-N 2 1 253.346 -0.879 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@H](CO)C1 ZINC001342034243 889700993 /nfs/dbraw/zinc/70/09/93/889700993.db2.gz HPESECKRTIPPCN-GMXVVIOVSA-N 2 1 253.346 -0.879 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001443812951 912280985 /nfs/dbraw/zinc/28/09/85/912280985.db2.gz IFMXXXFCNGVXBN-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001443812951 912281004 /nfs/dbraw/zinc/28/10/04/912281004.db2.gz IFMXXXFCNGVXBN-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001443853634 912290266 /nfs/dbraw/zinc/29/02/66/912290266.db2.gz XXWOSQGNUKRWHH-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001443853634 912290281 /nfs/dbraw/zinc/29/02/81/912290281.db2.gz XXWOSQGNUKRWHH-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001443853634 912290298 /nfs/dbraw/zinc/29/02/98/912290298.db2.gz XXWOSQGNUKRWHH-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001443853634 912290313 /nfs/dbraw/zinc/29/03/13/912290313.db2.gz XXWOSQGNUKRWHH-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001443903504 912296796 /nfs/dbraw/zinc/29/67/96/912296796.db2.gz SULVWRRCEHMQIJ-NEPJUHHUSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001443903504 912296812 /nfs/dbraw/zinc/29/68/12/912296812.db2.gz SULVWRRCEHMQIJ-NEPJUHHUSA-N 2 1 294.403 -0.106 20 0 CBADMP Cc1nc[nH]c1CC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342548717 889793318 /nfs/dbraw/zinc/79/33/18/889793318.db2.gz HYQOXNRBVMVBPS-UHFFFAOYSA-N 2 1 265.361 -0.200 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@H]1C[N@@H+](C)CCN1C ZINC001343487596 889917852 /nfs/dbraw/zinc/91/78/52/889917852.db2.gz FHGWEDGSMNDTMS-ZDEQEGDKSA-N 2 1 268.405 -0.265 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@H]1C[N@@H+](C)CCN1C ZINC001343581781 889935252 /nfs/dbraw/zinc/93/52/52/889935252.db2.gz FMADLHMMOUVWQS-DDHJBXDOSA-N 2 1 254.378 -0.668 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cnn(C)n1 ZINC001444300654 912414198 /nfs/dbraw/zinc/41/41/98/912414198.db2.gz HFGACQLFGCJLOB-AAEUAGOBSA-N 2 1 294.403 -0.249 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC001344519124 890037788 /nfs/dbraw/zinc/03/77/88/890037788.db2.gz SJXBIQBBCWOMMO-RNJOBUHISA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001444638297 912485157 /nfs/dbraw/zinc/48/51/57/912485157.db2.gz RVVVCHSKLNQHQB-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001444763063 912503565 /nfs/dbraw/zinc/50/35/65/912503565.db2.gz WHQRATQPUGRXEY-CHWSQXEVSA-N 2 1 298.431 -0.066 20 0 CBADMP CN(CC[N@H+](C)CCCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001444965083 912524740 /nfs/dbraw/zinc/52/47/40/912524740.db2.gz LHCXCAZBUCDQQV-GFCCVEGCSA-N 2 1 273.377 -0.910 20 0 CBADMP CN(CC[N@@H+](C)CCCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001444965083 912524756 /nfs/dbraw/zinc/52/47/56/912524756.db2.gz LHCXCAZBUCDQQV-GFCCVEGCSA-N 2 1 273.377 -0.910 20 0 CBADMP CN(CC[NH+](C)CCCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001444965083 912524772 /nfs/dbraw/zinc/52/47/72/912524772.db2.gz LHCXCAZBUCDQQV-GFCCVEGCSA-N 2 1 273.377 -0.910 20 0 CBADMP CN(CC[NH+](C)CCCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001444965083 912524780 /nfs/dbraw/zinc/52/47/80/912524780.db2.gz LHCXCAZBUCDQQV-GFCCVEGCSA-N 2 1 273.377 -0.910 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001444954068 912528194 /nfs/dbraw/zinc/52/81/94/912528194.db2.gz HMSMZNPVGXDKOO-QWRGUYRKSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001444954068 912528202 /nfs/dbraw/zinc/52/82/02/912528202.db2.gz HMSMZNPVGXDKOO-QWRGUYRKSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001444954068 912528220 /nfs/dbraw/zinc/52/82/20/912528220.db2.gz HMSMZNPVGXDKOO-QWRGUYRKSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001444954068 912528238 /nfs/dbraw/zinc/52/82/38/912528238.db2.gz HMSMZNPVGXDKOO-QWRGUYRKSA-N 2 1 270.377 -0.655 20 0 CBADMP CN(CC[N@H+](C)CC(=O)N(C)C1CC1)C(=O)CC[NH+](C)C ZINC001445032869 912544083 /nfs/dbraw/zinc/54/40/83/912544083.db2.gz ZHGUHXQPDZUWPW-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(CC[N@@H+](C)CC(=O)N(C)C1CC1)C(=O)CC[NH+](C)C ZINC001445032869 912544089 /nfs/dbraw/zinc/54/40/89/912544089.db2.gz ZHGUHXQPDZUWPW-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP C[NH2+]CC1CC[NH+](Cc2cn(CC(N)=O)nn2)CC1 ZINC001345945048 890186265 /nfs/dbraw/zinc/18/62/65/890186265.db2.gz XYJNFZUVWRNHPL-UHFFFAOYSA-N 2 1 266.349 -0.805 20 0 CBADMP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001445145539 912577176 /nfs/dbraw/zinc/57/71/76/912577176.db2.gz CSERSWFSFJFCIE-YPMHNXCESA-N 2 1 296.371 -0.356 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH3+])CC(O)C3)[C@@H]2C1 ZINC001346384990 890279977 /nfs/dbraw/zinc/27/99/77/890279977.db2.gz LSQHNKNGDSJEOR-VKVJQFQGSA-N 2 1 267.373 -0.457 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001445332744 912636816 /nfs/dbraw/zinc/63/68/16/912636816.db2.gz YQINNISRVVIZIM-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001445569500 912703505 /nfs/dbraw/zinc/70/35/05/912703505.db2.gz UOTOZXMWODGOPE-WCQYABFASA-N 2 1 296.415 -0.156 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001445604065 912710658 /nfs/dbraw/zinc/71/06/58/912710658.db2.gz HELDWSPEAQKFFZ-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)C2 ZINC001445605891 912711134 /nfs/dbraw/zinc/71/11/34/912711134.db2.gz OPTYIKOCSCIJPL-ONGXEEELSA-N 2 1 293.371 -0.666 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)C(=O)NC ZINC001445844196 912768760 /nfs/dbraw/zinc/76/87/60/912768760.db2.gz VUROGYPRKIQOKW-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)C(=O)NC ZINC001445844196 912768778 /nfs/dbraw/zinc/76/87/78/912768778.db2.gz VUROGYPRKIQOKW-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)NC ZINC001445844196 912768788 /nfs/dbraw/zinc/76/87/88/912768788.db2.gz VUROGYPRKIQOKW-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)NC ZINC001445844196 912768796 /nfs/dbraw/zinc/76/87/96/912768796.db2.gz VUROGYPRKIQOKW-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001090604406 884643689 /nfs/dbraw/zinc/64/36/89/884643689.db2.gz BVRTXXOJYUYEFP-KBPBESRZSA-N 2 1 299.415 -0.738 20 0 CBADMP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001090604409 884645795 /nfs/dbraw/zinc/64/57/95/884645795.db2.gz BVRTXXOJYUYEFP-KGLIPLIRSA-N 2 1 299.415 -0.738 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001188158697 884722533 /nfs/dbraw/zinc/72/25/33/884722533.db2.gz VDGBOBVIDWPAJF-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001188145749 884722726 /nfs/dbraw/zinc/72/27/26/884722726.db2.gz MVCNZDBCWMWKKD-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001188145749 884722740 /nfs/dbraw/zinc/72/27/40/884722740.db2.gz MVCNZDBCWMWKKD-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001210811628 884766155 /nfs/dbraw/zinc/76/61/55/884766155.db2.gz PJRBIGIPNFENAS-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCCO ZINC001215939162 884782636 /nfs/dbraw/zinc/78/26/36/884782636.db2.gz WRSNUFRSEVXVLD-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001446420904 912879608 /nfs/dbraw/zinc/87/96/08/912879608.db2.gz PVVZWGVEIPNCES-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@H](O)C[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001446400854 912875671 /nfs/dbraw/zinc/87/56/71/912875671.db2.gz SYJKIGCEJVWSGB-TZMCWYRMSA-N 2 1 299.415 -0.522 20 0 CBADMP COC[C@H](O)C[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001446400854 912875690 /nfs/dbraw/zinc/87/56/90/912875690.db2.gz SYJKIGCEJVWSGB-TZMCWYRMSA-N 2 1 299.415 -0.522 20 0 CBADMP C[C@H](O)C[NH2+]CCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001326135629 884919912 /nfs/dbraw/zinc/91/99/12/884919912.db2.gz XZBMZDOXGINPND-QWHCGFSZSA-N 2 1 287.404 -0.881 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001326184018 884934030 /nfs/dbraw/zinc/93/40/30/884934030.db2.gz WUDPHIPGOIYEMX-UHFFFAOYSA-N 2 1 270.377 -0.735 20 0 CBADMP C[NH2+][C@H](C(=O)NCCCN1CC[NH2+]CC1)c1cnn(C)c1 ZINC001326281466 884967729 /nfs/dbraw/zinc/96/77/29/884967729.db2.gz AHPLEETVXBELSE-ZDUSSCGKSA-N 2 1 294.403 -0.908 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1CCC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC001326306183 884979921 /nfs/dbraw/zinc/97/99/21/884979921.db2.gz OCTOFUSIDWAVGP-QWHCGFSZSA-N 2 1 268.405 -0.119 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1 ZINC001326352728 885002486 /nfs/dbraw/zinc/00/24/86/885002486.db2.gz JSCOPFDUAVSJFC-UWVGGRQHSA-N 2 1 263.345 -0.080 20 0 CBADMP C[NH+](C)CCC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001446460737 912891701 /nfs/dbraw/zinc/89/17/01/912891701.db2.gz FDRUBLVWIOMYJS-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCO)C1 ZINC001326773772 885137985 /nfs/dbraw/zinc/13/79/85/885137985.db2.gz JXSYLJSHPUEDNU-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCO)C1 ZINC001326773772 885137990 /nfs/dbraw/zinc/13/79/90/885137990.db2.gz JXSYLJSHPUEDNU-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](Cc1[nH]cc[nH+]1)OCC(=O)N1CC[NH2+]CC1 ZINC001326805512 885155945 /nfs/dbraw/zinc/15/59/45/885155945.db2.gz JMVXRMVZJOCIRF-JTQLQIEISA-N 2 1 252.318 -0.211 20 0 CBADMP C[C@@]1(NC(=O)CC[NH+]2CCCCC2)CC[N@H+](CC(N)=O)C1 ZINC001446553321 912905947 /nfs/dbraw/zinc/90/59/47/912905947.db2.gz OKIXZTJLPSRBQM-OAHLLOKOSA-N 2 1 296.415 -0.072 20 0 CBADMP C[C@@]1(NC(=O)CC[NH+]2CCCCC2)CC[N@@H+](CC(N)=O)C1 ZINC001446553321 912905967 /nfs/dbraw/zinc/90/59/67/912905967.db2.gz OKIXZTJLPSRBQM-OAHLLOKOSA-N 2 1 296.415 -0.072 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC001327087627 885253723 /nfs/dbraw/zinc/25/37/23/885253723.db2.gz PTZPQIUBZBYMIX-RYUDHWBXSA-N 2 1 256.394 -0.264 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)[C@H](N)CC[NH+](C)C ZINC001327448253 885357672 /nfs/dbraw/zinc/35/76/72/885357672.db2.gz FROPZCINBFHKMI-GFCCVEGCSA-N 2 1 267.377 -0.023 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])CC[N@H+]1C ZINC001327501064 885380102 /nfs/dbraw/zinc/38/01/02/885380102.db2.gz RRGLJXNUAKAYMQ-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001327501403 885380335 /nfs/dbraw/zinc/38/03/35/885380335.db2.gz XKKJBAJSINLAOG-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001327522039 885388099 /nfs/dbraw/zinc/38/80/99/885388099.db2.gz YTDHRVPEZXBYDC-IJLUTSLNSA-N 2 1 296.415 -0.158 20 0 CBADMP [NH3+]CCCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001327682026 885450258 /nfs/dbraw/zinc/45/02/58/885450258.db2.gz ITGRXMHCYFJDRK-STQMWFEESA-N 2 1 296.415 -0.025 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC001327829912 885490809 /nfs/dbraw/zinc/49/08/09/885490809.db2.gz OUUVQCNOHDALLQ-AXFHLTTASA-N 2 1 268.361 -0.937 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CC1([NH3+])CC1 ZINC001327929203 885530670 /nfs/dbraw/zinc/53/06/70/885530670.db2.gz POMYDOKNSWEEIR-SNVBAGLBSA-N 2 1 263.345 -0.226 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]CCO)CC2)C1 ZINC001328049519 885561852 /nfs/dbraw/zinc/56/18/52/885561852.db2.gz HSXQHCMVYJOWGA-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001446800998 912956927 /nfs/dbraw/zinc/95/69/27/912956927.db2.gz ZVIXTNQVVUTQRX-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001446800998 912956937 /nfs/dbraw/zinc/95/69/37/912956937.db2.gz ZVIXTNQVVUTQRX-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001446800998 912956946 /nfs/dbraw/zinc/95/69/46/912956946.db2.gz ZVIXTNQVVUTQRX-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001446800998 912956958 /nfs/dbraw/zinc/95/69/58/912956958.db2.gz ZVIXTNQVVUTQRX-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001446800998 912956972 /nfs/dbraw/zinc/95/69/72/912956972.db2.gz ZVIXTNQVVUTQRX-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+](Cc1cn(CC(N)=O)nn1)C1CCC([NH3+])CC1 ZINC001328401232 885671303 /nfs/dbraw/zinc/67/13/03/885671303.db2.gz VQQXIFZKBMURKL-UHFFFAOYSA-N 2 1 266.349 -0.535 20 0 CBADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001328401414 885672545 /nfs/dbraw/zinc/67/25/45/885672545.db2.gz YIVBGPBINVSQDM-OLZOCXBDSA-N 3 1 268.405 -0.275 20 0 CBADMP C[C@H](C(=O)N(C)C1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC001328478062 885703418 /nfs/dbraw/zinc/70/34/18/885703418.db2.gz LGBAAGBOCKOELB-GFCCVEGCSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC001328728856 885794017 /nfs/dbraw/zinc/79/40/17/885794017.db2.gz ALAFZLHQOWZLPM-CHWSQXEVSA-N 3 1 268.405 -0.133 20 0 CBADMP C[C@@H]1CCCN(CC(=O)N2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC001328728856 885794028 /nfs/dbraw/zinc/79/40/28/885794028.db2.gz ALAFZLHQOWZLPM-CHWSQXEVSA-N 2 1 268.405 -0.133 20 0 CBADMP COCC[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001328841058 885826877 /nfs/dbraw/zinc/82/68/77/885826877.db2.gz IPGYSLIGLNFFHU-WXRRBKDZSA-N 2 1 285.388 -0.552 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCCO)C1 ZINC001328898464 885843569 /nfs/dbraw/zinc/84/35/69/885843569.db2.gz WMDXOLLYIHEDBH-WXRRBKDZSA-N 2 1 269.389 -0.053 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NCCCCN1CC[NH+](C)CC1 ZINC001329253905 885986233 /nfs/dbraw/zinc/98/62/33/885986233.db2.gz PFMVNNBCHYXCSH-CYBMUJFWSA-N 2 1 286.420 -0.506 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(N)=O ZINC001447044159 913005519 /nfs/dbraw/zinc/00/55/19/913005519.db2.gz QORISZFZMYRQET-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(N)=O ZINC001447044159 913005537 /nfs/dbraw/zinc/00/55/37/913005537.db2.gz QORISZFZMYRQET-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001447044159 913005555 /nfs/dbraw/zinc/00/55/55/913005555.db2.gz QORISZFZMYRQET-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001447044159 913005574 /nfs/dbraw/zinc/00/55/74/913005574.db2.gz QORISZFZMYRQET-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC001329480959 886087629 /nfs/dbraw/zinc/08/76/29/886087629.db2.gz KTUZIIWFZGJFTK-IJLUTSLNSA-N 2 1 282.388 -0.594 20 0 CBADMP Cn1cc[nH+]c1N1CCC(NC(=O)CC[NH3+])CC1 ZINC001329499329 886097386 /nfs/dbraw/zinc/09/73/86/886097386.db2.gz SJOMSGNUCWEATQ-UHFFFAOYSA-N 2 1 251.334 -0.146 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC[N@@H+]1C ZINC001329504410 886100846 /nfs/dbraw/zinc/10/08/46/886100846.db2.gz IHSKCZDKVUFGEN-RWMBFGLXSA-N 2 1 296.415 -0.267 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC[N@H+]1C ZINC001329504410 886100852 /nfs/dbraw/zinc/10/08/52/886100852.db2.gz IHSKCZDKVUFGEN-RWMBFGLXSA-N 2 1 296.415 -0.267 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC001329702293 886182786 /nfs/dbraw/zinc/18/27/86/886182786.db2.gz PABXPKCQKWQBTI-GHMZBOCLSA-N 3 1 280.338 -0.039 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC001329702293 886182798 /nfs/dbraw/zinc/18/27/98/886182798.db2.gz PABXPKCQKWQBTI-GHMZBOCLSA-N 3 1 280.338 -0.039 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001329838259 886233620 /nfs/dbraw/zinc/23/36/20/886233620.db2.gz OLCQNRJJJNQEIN-NEPJUHHUSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001447099599 913021806 /nfs/dbraw/zinc/02/18/06/913021806.db2.gz LQYSEPQLFZLDSX-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)c1csc(C[NH3+])n1 ZINC001330627197 886512732 /nfs/dbraw/zinc/51/27/32/886512732.db2.gz UTOSURRONBIESB-UHFFFAOYSA-N 2 1 272.374 -0.090 20 0 CBADMP COC[C@@H]([NH3+])Cc1cn(CCc2c[nH+]cn2C)nn1 ZINC001330789978 886569529 /nfs/dbraw/zinc/56/95/29/886569529.db2.gz CINURABTDLWROQ-JTQLQIEISA-N 2 1 264.333 -0.230 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001447358089 913061277 /nfs/dbraw/zinc/06/12/77/913061277.db2.gz YLSHMLOTZUDGRQ-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001447358089 913061291 /nfs/dbraw/zinc/06/12/91/913061291.db2.gz YLSHMLOTZUDGRQ-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001447358089 913061306 /nfs/dbraw/zinc/06/13/06/913061306.db2.gz YLSHMLOTZUDGRQ-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCC[NH2+][C@@H](C)C(N)=O ZINC001330978189 886638577 /nfs/dbraw/zinc/63/85/77/886638577.db2.gz XEPWFKCVXQEDBJ-QWRGUYRKSA-N 2 1 295.387 -0.060 20 0 CBADMP CN(CCC[N@@H+](C)CC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001447350759 913065208 /nfs/dbraw/zinc/06/52/08/913065208.db2.gz URISKLQRDRHXAT-UHFFFAOYSA-N 2 1 284.404 -0.406 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@@H]1C ZINC001331195452 886722965 /nfs/dbraw/zinc/72/29/65/886722965.db2.gz FVFOLKOHPMQUHF-RNJOBUHISA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@@H]1C ZINC001331195452 886722977 /nfs/dbraw/zinc/72/29/77/886722977.db2.gz FVFOLKOHPMQUHF-RNJOBUHISA-N 2 1 296.415 -0.219 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC001331218983 886734215 /nfs/dbraw/zinc/73/42/15/886734215.db2.gz FYUBTJMUKMWZHG-FRRDWIJNSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC001331218983 886734224 /nfs/dbraw/zinc/73/42/24/886734224.db2.gz FYUBTJMUKMWZHG-FRRDWIJNSA-N 2 1 296.415 -0.362 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001331323244 886777109 /nfs/dbraw/zinc/77/71/09/886777109.db2.gz ZOOHFUDUPOLWPA-LBPRGKRZSA-N 2 1 272.393 -0.896 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001331406934 886795837 /nfs/dbraw/zinc/79/58/37/886795837.db2.gz PICCISDWSISZES-VHSXEESVSA-N 2 1 256.350 -0.998 20 0 CBADMP CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001447458781 913083690 /nfs/dbraw/zinc/08/36/90/913083690.db2.gz UGLTUZTUSINAMZ-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001447458781 913083705 /nfs/dbraw/zinc/08/37/05/913083705.db2.gz UGLTUZTUSINAMZ-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001447458786 913085434 /nfs/dbraw/zinc/08/54/34/913085434.db2.gz UGLTUZTUSINAMZ-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001447458786 913085450 /nfs/dbraw/zinc/08/54/50/913085450.db2.gz UGLTUZTUSINAMZ-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331670285 886897093 /nfs/dbraw/zinc/89/70/93/886897093.db2.gz VCDTUCSUVQORRR-SRVKXCTJSA-N 2 1 296.415 -0.171 20 0 CBADMP COCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001331712373 886926968 /nfs/dbraw/zinc/92/69/68/886926968.db2.gz OBTQBULNFYFLGR-STQMWFEESA-N 2 1 287.404 -0.428 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001447571075 913096029 /nfs/dbraw/zinc/09/60/29/913096029.db2.gz ROBPVXRJNKYCIA-UHFFFAOYSA-N 2 1 284.404 -0.217 20 0 CBADMP CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001331835168 887006387 /nfs/dbraw/zinc/00/63/87/887006387.db2.gz LFDNHMQTPONTGX-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331857874 887016924 /nfs/dbraw/zinc/01/69/24/887016924.db2.gz NRVDMRPZWHYRCV-TUAOUCFPSA-N 2 1 269.393 -0.731 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC001331948439 887058278 /nfs/dbraw/zinc/05/82/78/887058278.db2.gz LOXUNCCZFAIZSP-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP Cn1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1=O ZINC001331983193 887074549 /nfs/dbraw/zinc/07/45/49/887074549.db2.gz IXCZGDVKPZYEMD-UHFFFAOYSA-N 2 1 265.357 -0.068 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NCCC(C)(C)[NH3+])C1CC1 ZINC001332268457 887177915 /nfs/dbraw/zinc/17/79/15/887177915.db2.gz XSAUEOHJNJIXKO-UHFFFAOYSA-N 2 1 270.377 -0.560 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)C1 ZINC001332292728 887186732 /nfs/dbraw/zinc/18/67/32/887186732.db2.gz SVQIUFQPJFDLMA-FIQHERPVSA-N 2 1 253.346 -0.569 20 0 CBADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001332318118 887202302 /nfs/dbraw/zinc/20/23/02/887202302.db2.gz KHKCGRASQMWAKZ-AWAWDMARSA-N 2 1 296.371 -0.837 20 0 CBADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001332318118 887202314 /nfs/dbraw/zinc/20/23/14/887202314.db2.gz KHKCGRASQMWAKZ-AWAWDMARSA-N 2 1 296.371 -0.837 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)C1 ZINC001332333502 887209371 /nfs/dbraw/zinc/20/93/71/887209371.db2.gz CBUFNOLOXZGZDF-SVNGYHJRSA-N 2 1 253.346 -0.563 20 0 CBADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC001332340905 887215948 /nfs/dbraw/zinc/21/59/48/887215948.db2.gz SIYOQXMSOONIHP-QUNCOHTASA-N 2 1 284.360 -0.981 20 0 CBADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC001332365435 887233584 /nfs/dbraw/zinc/23/35/84/887233584.db2.gz SLOQNPNSKGBWLM-VXGBXAGGSA-N 2 1 258.362 -0.177 20 0 CBADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCOC12CCOCC2 ZINC001332391876 887252196 /nfs/dbraw/zinc/25/21/96/887252196.db2.gz WCFLGLZTUYQXCK-RYUDHWBXSA-N 2 1 258.362 -0.163 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CC(C[NH2+][C@H](C)C(N)=O)C1 ZINC001447822844 913133361 /nfs/dbraw/zinc/13/33/61/913133361.db2.gz KIQFASNZBIGZTD-VOMCLLRMSA-N 2 1 284.404 -0.315 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(CCOCC[NH3+])CC2)C1 ZINC001332520933 887336499 /nfs/dbraw/zinc/33/64/99/887336499.db2.gz WXZGBTQGFJNZBL-CQSZACIVSA-N 2 1 270.421 -0.327 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332521155 887337532 /nfs/dbraw/zinc/33/75/32/887337532.db2.gz OGCZFDLNSIJKBQ-TXEJJXNPSA-N 2 1 272.393 -0.009 20 0 CBADMP COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001332602317 887371998 /nfs/dbraw/zinc/37/19/98/887371998.db2.gz OSSWNEMPCBNTTO-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC[N@H+]1C ZINC001332694794 887408130 /nfs/dbraw/zinc/40/81/30/887408130.db2.gz YQWSENJZMDUWDO-VXGBXAGGSA-N 2 1 296.415 -0.170 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001332722357 887418535 /nfs/dbraw/zinc/41/85/35/887418535.db2.gz CUXYGUBUUUGANX-VXGBXAGGSA-N 2 1 256.394 -0.277 20 0 CBADMP Cc1cc(NC(=O)CN2CC[NH2+]CC[NH2+]CC2)n(C)n1 ZINC001332815246 887438180 /nfs/dbraw/zinc/43/81/80/887438180.db2.gz GZFYAKVXLCSFRM-UHFFFAOYSA-N 2 1 280.376 -0.838 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]([NH3+])C[C@H]1C)N1CC[NH+](C)CC1 ZINC001332829662 887440722 /nfs/dbraw/zinc/44/07/22/887440722.db2.gz FQDHNGBEEIXXET-JHJVBQTASA-N 2 1 268.405 -0.040 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C)N1CC[NH+](C)CC1 ZINC001332829726 887440857 /nfs/dbraw/zinc/44/08/57/887440857.db2.gz FQDHNGBEEIXXET-YNEHKIRRSA-N 2 1 268.405 -0.040 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@H](CO)C3=O)C2)CC1 ZINC001332846901 887449664 /nfs/dbraw/zinc/44/96/64/887449664.db2.gz APMNUKHBMNLEJQ-VXGBXAGGSA-N 2 1 296.371 -0.932 20 0 CBADMP C[NH+]1CCC(N2CC[C@@H](N3C(=O)N[C@H](CO)C3=O)C2)CC1 ZINC001332846901 887449670 /nfs/dbraw/zinc/44/96/70/887449670.db2.gz APMNUKHBMNLEJQ-VXGBXAGGSA-N 2 1 296.371 -0.932 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001447870284 913148952 /nfs/dbraw/zinc/14/89/52/913148952.db2.gz BWONUESQGSDQQM-GHMZBOCLSA-N 2 1 281.360 -0.580 20 0 CBADMP CNC(=O)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001332947513 887484493 /nfs/dbraw/zinc/48/44/93/887484493.db2.gz ZBUGCWSHSOGQLE-LBPRGKRZSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[C@@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC[NH2+]C1 ZINC001332977260 887493068 /nfs/dbraw/zinc/49/30/68/887493068.db2.gz ZIXRSDCOOFHYQQ-SWLSCSKDSA-N 2 1 296.415 -0.168 20 0 CBADMP CC[C@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC[NH2+]C1 ZINC001332977261 887493248 /nfs/dbraw/zinc/49/32/48/887493248.db2.gz ZIXRSDCOOFHYQQ-WFASDCNBSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001333397697 887621836 /nfs/dbraw/zinc/62/18/36/887621836.db2.gz MNBRRZMDUYPPRW-NXEZZACHSA-N 2 1 268.361 -0.855 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001333397700 887622147 /nfs/dbraw/zinc/62/21/47/887622147.db2.gz MNBRRZMDUYPPRW-ZJUUUORDSA-N 2 1 268.361 -0.855 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001333404376 887625338 /nfs/dbraw/zinc/62/53/38/887625338.db2.gz NNQALUKPXRKXRN-GRYCIOLGSA-N 2 1 292.383 -0.698 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333447941 887641304 /nfs/dbraw/zinc/64/13/04/887641304.db2.gz IYQUYTLZOFZDGD-RWMBFGLXSA-N 2 1 296.415 -0.360 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H](N3CCOC3=O)C2)C1 ZINC001333530176 887677049 /nfs/dbraw/zinc/67/70/49/887677049.db2.gz VHRNNOGKTXVHJO-VLEAKVRGSA-N 2 1 255.318 -0.637 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC001333960059 887821496 /nfs/dbraw/zinc/82/14/96/887821496.db2.gz SNPHEXLNGJUOJT-TXEJJXNPSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)CC(N)=O ZINC001448039745 913196205 /nfs/dbraw/zinc/19/62/05/913196205.db2.gz JAMFFCAHFCIRIY-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)CC(N)=O ZINC001448039745 913196210 /nfs/dbraw/zinc/19/62/10/913196210.db2.gz JAMFFCAHFCIRIY-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)CC(N)=O ZINC001448039745 913196224 /nfs/dbraw/zinc/19/62/24/913196224.db2.gz JAMFFCAHFCIRIY-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)CC(N)=O ZINC001448039745 913196229 /nfs/dbraw/zinc/19/62/29/913196229.db2.gz JAMFFCAHFCIRIY-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001448086792 913216149 /nfs/dbraw/zinc/21/61/49/913216149.db2.gz OFRSYOSLQOWUGD-WDEREUQCSA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001448086792 913216167 /nfs/dbraw/zinc/21/61/67/913216167.db2.gz OFRSYOSLQOWUGD-WDEREUQCSA-N 2 1 272.393 -0.491 20 0 CBADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCNCC[NH2+]CC1 ZINC001334763971 888318003 /nfs/dbraw/zinc/31/80/03/888318003.db2.gz VCNPSFISGOUCJY-ZIAGYGMSSA-N 2 1 268.405 -0.750 20 0 CBADMP CCCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001448145015 913238079 /nfs/dbraw/zinc/23/80/79/913238079.db2.gz GOASLHFQECWZJW-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001448145015 913238096 /nfs/dbraw/zinc/23/80/96/913238096.db2.gz GOASLHFQECWZJW-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001448145015 913238118 /nfs/dbraw/zinc/23/81/18/913238118.db2.gz GOASLHFQECWZJW-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001448145015 913238137 /nfs/dbraw/zinc/23/81/37/913238137.db2.gz GOASLHFQECWZJW-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001335235806 888461148 /nfs/dbraw/zinc/46/11/48/888461148.db2.gz ZNOHVRMPDAOINI-UHFFFAOYSA-N 2 1 298.431 -0.050 20 0 CBADMP CC[NH2+]CCNC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001335263000 888476343 /nfs/dbraw/zinc/47/63/43/888476343.db2.gz FUQYPKLMVFPLDX-SECBINFHSA-N 2 1 251.334 -0.286 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001335257280 888474163 /nfs/dbraw/zinc/47/41/63/888474163.db2.gz UWMOHPYPUVRXSR-NSHDSACASA-N 2 1 284.404 -0.312 20 0 CBADMP CC[NH2+]CCNC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001335263002 888475843 /nfs/dbraw/zinc/47/58/43/888475843.db2.gz FUQYPKLMVFPLDX-VIFPVBQESA-N 2 1 251.334 -0.286 20 0 CBADMP C[C@@](Cn1cccn1)([NH2+]C[C@@H]1CC[NH2+]C1)C(N)=O ZINC001335271353 888479410 /nfs/dbraw/zinc/47/94/10/888479410.db2.gz DNXICMPLKXQPOU-PWSUYJOCSA-N 2 1 251.334 -0.674 20 0 CBADMP CN1CCN(C(=O)c2cnc(C[NH3+])s2)[C@H](C[NH3+])C1 ZINC001335311210 888494791 /nfs/dbraw/zinc/49/47/91/888494791.db2.gz XNBZMJRBRIWZHG-MRVPVSSYSA-N 2 1 269.374 -0.683 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCNCC[NH2+]CC1 ZINC001335384257 888519687 /nfs/dbraw/zinc/51/96/87/888519687.db2.gz MMLXFKXRKWAILG-UONOGXRCSA-N 2 1 295.431 -0.182 20 0 CBADMP C[C@H](CNC(=O)N1CCNCC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC001335413078 888525812 /nfs/dbraw/zinc/52/58/12/888525812.db2.gz LVIFVFUBAPWSMF-GFCCVEGCSA-N 2 1 283.420 -0.327 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001336124996 888699964 /nfs/dbraw/zinc/69/99/64/888699964.db2.gz OZHWXKCBTKGJSX-DTWKUNHWSA-N 2 1 262.304 -0.169 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC001336278583 888734879 /nfs/dbraw/zinc/73/48/79/888734879.db2.gz WDQDOESZRYYOEW-LBPRGKRZSA-N 2 1 258.362 -0.162 20 0 CBADMP C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001336330351 888745954 /nfs/dbraw/zinc/74/59/54/888745954.db2.gz KZOXBXMSENJCQN-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001336330351 888745967 /nfs/dbraw/zinc/74/59/67/888745967.db2.gz KZOXBXMSENJCQN-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001448314436 913275665 /nfs/dbraw/zinc/27/56/65/913275665.db2.gz AADYFFWRAODLRP-UWVGGRQHSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001336659913 888836306 /nfs/dbraw/zinc/83/63/06/888836306.db2.gz NLNYKICQQFPCKZ-DTWKUNHWSA-N 2 1 251.334 -0.206 20 0 CBADMP C[C@H]1Cn2nc(C(=O)NC3CC[NH2+]CC3)cc2C[NH2+]1 ZINC001336686820 888847243 /nfs/dbraw/zinc/84/72/43/888847243.db2.gz HXJKLFWWZPMIGV-VIFPVBQESA-N 2 1 263.345 -0.143 20 0 CBADMP C[N@H+]1CCCN(CCC[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001336749294 888868754 /nfs/dbraw/zinc/86/87/54/888868754.db2.gz ALFZIHDCGIVRDB-HNNXBMFYSA-N 2 1 295.431 -0.139 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001336821196 888891770 /nfs/dbraw/zinc/89/17/70/888891770.db2.gz PDYOUPFDWHOVGJ-SRVKXCTJSA-N 2 1 269.393 -0.731 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001336821194 888892106 /nfs/dbraw/zinc/89/21/06/888892106.db2.gz PDYOUPFDWHOVGJ-IJLUTSLNSA-N 2 1 269.393 -0.731 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)NCC3C[NH2+]C3)C[C@]2(C)C1 ZINC001336917996 888919972 /nfs/dbraw/zinc/91/99/72/888919972.db2.gz HVDHMFXAIDHTRI-YPMHNXCESA-N 2 1 252.362 -0.201 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001336966047 888937561 /nfs/dbraw/zinc/93/75/61/888937561.db2.gz WAZUEZJLHBTWNP-SCVCMEIPSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC001337441596 889010677 /nfs/dbraw/zinc/01/06/77/889010677.db2.gz UDIMYTVRVJJSDJ-NNYUYHANSA-N 2 1 294.399 -0.419 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC001337440775 889012151 /nfs/dbraw/zinc/01/21/51/889012151.db2.gz MLRKJNSOKAUTKV-GMTAPVOTSA-N 2 1 282.388 -0.561 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001337441790 889012523 /nfs/dbraw/zinc/01/25/23/889012523.db2.gz USRUFOOIPNFGMT-FDYHWXHSSA-N 2 1 294.399 -0.417 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001337472598 889017963 /nfs/dbraw/zinc/01/79/63/889017963.db2.gz YPANJVCNZWZBCE-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001448522379 913311891 /nfs/dbraw/zinc/31/18/91/913311891.db2.gz VOMACEZNWHMYDH-FVCCEPFGSA-N 2 1 296.415 -0.443 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001338474059 889165056 /nfs/dbraw/zinc/16/50/56/889165056.db2.gz LSWIDOKTVVUWHT-AWEZNQCLSA-N 2 1 297.447 -0.077 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C[C@H](C)[NH2+]1 ZINC001339716149 889313602 /nfs/dbraw/zinc/31/36/02/889313602.db2.gz SRYZYEYMIAADRS-RNJOBUHISA-N 2 1 266.389 -0.417 20 0 CBADMP [NH3+]CCNCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001340010967 889363724 /nfs/dbraw/zinc/36/37/24/889363724.db2.gz GAKDWJDLPYIYEF-UHFFFAOYSA-N 2 1 276.384 -0.121 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001340062169 889377714 /nfs/dbraw/zinc/37/77/14/889377714.db2.gz MPNOYYKUANKPLZ-UTUOFQBUSA-N 2 1 257.378 -0.339 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC001340183972 889403903 /nfs/dbraw/zinc/40/39/03/889403903.db2.gz PQRRMNFFNHYHQI-UTUOFQBUSA-N 2 1 266.389 -0.369 20 0 CBADMP C[N@@H+](CCNC(=O)CNCC[NH3+])Cc1ccccc1 ZINC001340192517 889404700 /nfs/dbraw/zinc/40/47/00/889404700.db2.gz XXVKCHVKIKYIPW-UHFFFAOYSA-N 2 1 264.373 -0.217 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)C[N@H+]1C1CC1 ZINC001340242654 889414809 /nfs/dbraw/zinc/41/48/09/889414809.db2.gz VIZUEEFQSSZUJX-IQJOONFLSA-N 2 1 255.362 -0.174 20 0 CBADMP O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001340300516 889419117 /nfs/dbraw/zinc/41/91/17/889419117.db2.gz RZDVEMIDKFGCQM-PJXYFTJBSA-N 2 1 253.346 -0.975 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC001340468293 889435813 /nfs/dbraw/zinc/43/58/13/889435813.db2.gz CREMTNKLQFGLHU-NEPJUHHUSA-N 2 1 264.329 -0.736 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CC(C)(C)C[NH3+] ZINC001340486477 889439618 /nfs/dbraw/zinc/43/96/18/889439618.db2.gz UQAGSMDDJVGJHF-NWDGAFQWSA-N 2 1 268.405 -0.182 20 0 CBADMP O=C([C@@H]1CSC[NH2+]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340727211 889474293 /nfs/dbraw/zinc/47/42/93/889474293.db2.gz MHHNOYKEGJOOKY-UWVGGRQHSA-N 2 1 259.375 -0.778 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001448687470 913349515 /nfs/dbraw/zinc/34/95/15/913349515.db2.gz VXRMXFMQIAMBPT-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001340737070 889476936 /nfs/dbraw/zinc/47/69/36/889476936.db2.gz YJQCBTCSUHIRDR-YFKTTZPYSA-N 2 1 252.362 -0.759 20 0 CBADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](O)C[NH3+] ZINC001340753032 889478704 /nfs/dbraw/zinc/47/87/04/889478704.db2.gz DIVUCHSDSJMOTC-UWVGGRQHSA-N 2 1 254.334 -0.168 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001340835168 889495446 /nfs/dbraw/zinc/49/54/46/889495446.db2.gz XQDDKDNIPNUEAA-NSHDSACASA-N 2 1 295.387 -0.317 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2NC(=O)C[C@]23CC[NH2+]C3)CC[N@H+]1C ZINC001340900267 889509015 /nfs/dbraw/zinc/50/90/15/889509015.db2.gz JTPKJOYCYXTAOP-BREBYQMCSA-N 2 1 266.345 -0.678 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001448704104 913354496 /nfs/dbraw/zinc/35/44/96/913354496.db2.gz XDUPMLVAIIWFLY-CMPLNLGQSA-N 2 1 295.387 -0.237 20 0 CBADMP C[NH2+]CCCC(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001341028257 889534254 /nfs/dbraw/zinc/53/42/54/889534254.db2.gz MKWLEQWIBHOPFL-CQSZACIVSA-N 2 1 277.372 -0.017 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC(C[NH3+])CC1 ZINC001341351424 889579443 /nfs/dbraw/zinc/57/94/43/889579443.db2.gz BSCSNZQSRIJAOQ-DGCLKSJQSA-N 2 1 266.389 -0.428 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001341471418 889603702 /nfs/dbraw/zinc/60/37/02/889603702.db2.gz CRAGKZSWQNDMOJ-SGMGOOAPSA-N 2 1 268.405 -0.325 20 0 CBADMP CN1CCN(C(=O)CC2([NH3+])CC2)CC[N@@H+](C)CC1 ZINC001341512030 889612443 /nfs/dbraw/zinc/61/24/43/889612443.db2.gz NZJSNJVUNCGQJR-UHFFFAOYSA-N 2 1 254.378 -0.426 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]C[C@H]1CO ZINC001341583011 889628813 /nfs/dbraw/zinc/62/88/13/889628813.db2.gz WCNTYSORZRBJNG-NWDGAFQWSA-N 2 1 255.362 -0.348 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C[C@@H](O)C[NH3+] ZINC001341659734 889641745 /nfs/dbraw/zinc/64/17/45/889641745.db2.gz RQFWICPVUIKKLE-MWLCHTKSSA-N 2 1 254.334 -0.346 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CNCC[NH3+] ZINC001341660182 889643086 /nfs/dbraw/zinc/64/30/86/889643086.db2.gz UROLBQFSQXKSBY-JTQLQIEISA-N 2 1 253.350 -0.508 20 0 CBADMP C[C@H](CNC(=O)[C@H]([NH3+])CO)[N@@H+](C)Cc1ccccc1 ZINC001341701357 889652169 /nfs/dbraw/zinc/65/21/69/889652169.db2.gz POEBINAEEZNYOS-DGCLKSJQSA-N 2 1 265.357 -0.057 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1(C)CC[NH2+]CC1 ZINC001341769061 889660451 /nfs/dbraw/zinc/66/04/51/889660451.db2.gz YRUDMRDCGASPNM-NEPJUHHUSA-N 2 1 266.389 -0.367 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001341940485 889686513 /nfs/dbraw/zinc/68/65/13/889686513.db2.gz KDLKGHGLGJHMFG-SDDRHHMPSA-N 2 1 256.394 -0.280 20 0 CBADMP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001342033153 889702085 /nfs/dbraw/zinc/70/20/85/889702085.db2.gz CPMIKFJCWBRHLM-XQQFMLRXSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001342033153 889702092 /nfs/dbraw/zinc/70/20/92/889702092.db2.gz CPMIKFJCWBRHLM-XQQFMLRXSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001342033153 889702095 /nfs/dbraw/zinc/70/20/95/889702095.db2.gz CPMIKFJCWBRHLM-XQQFMLRXSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001342037344 889703104 /nfs/dbraw/zinc/70/31/04/889703104.db2.gz SNROPTAMQMALCL-NTZNESFSSA-N 2 1 268.405 -0.123 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1([NH3+])CCCC1 ZINC001342128267 889717147 /nfs/dbraw/zinc/71/71/47/889717147.db2.gz ZQONAXFCUIWRNF-NEPJUHHUSA-N 2 1 266.389 -0.238 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001448776440 913375835 /nfs/dbraw/zinc/37/58/35/913375835.db2.gz DCAGIBCZJARFES-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001448776440 913375852 /nfs/dbraw/zinc/37/58/52/913375852.db2.gz DCAGIBCZJARFES-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP CC[NH+]1CCN(CCC(=O)NOC[C@@H](C)[NH3+])CC1 ZINC001342248611 889737752 /nfs/dbraw/zinc/73/77/52/889737752.db2.gz RQYQWIHEJXQBOI-LLVKDONJSA-N 2 1 258.366 -0.591 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001342338520 889756715 /nfs/dbraw/zinc/75/67/15/889756715.db2.gz UMPBXMVANVUPPP-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[C@H]([NH3+])C(=O)NCCCCC[NH+]1CCNCC1 ZINC001342687513 889815547 /nfs/dbraw/zinc/81/55/47/889815547.db2.gz KSGYPRDAYZFZTR-LBPRGKRZSA-N 2 1 256.394 -0.085 20 0 CBADMP CCN(C(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C)[C@@H]1CC[NH2+]C1 ZINC001342476723 889780554 /nfs/dbraw/zinc/78/05/54/889780554.db2.gz VVUWXJAMOVUPOQ-UPJWGTAASA-N 2 1 266.389 -0.415 20 0 CBADMP CNC(=O)CCCCC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342548987 889793524 /nfs/dbraw/zinc/79/35/24/889793524.db2.gz MNOSZDZGCRSCIA-UHFFFAOYSA-N 2 1 284.404 -0.168 20 0 CBADMP CCO[C@H](CNC(=O)[C@H]1CSC[NH2+]1)C[NH+](C)C ZINC001342666083 889813450 /nfs/dbraw/zinc/81/34/50/889813450.db2.gz KJLMZOIDTJWUDY-NXEZZACHSA-N 2 1 261.391 -0.268 20 0 CBADMP C[C@@]1(C(=O)NCCCCC[NH+]2CCNCC2)C[C@@H](O)C[NH2+]1 ZINC001342678226 889814996 /nfs/dbraw/zinc/81/49/96/889814996.db2.gz AKNIIUXPVKHJOA-HIFRSBDPSA-N 2 1 298.431 -0.709 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H](C)[C@H](O)C[NH2+]C)C1CC1 ZINC001343419654 889901545 /nfs/dbraw/zinc/90/15/45/889901545.db2.gz FVAZNQJASDCXMT-ZYHUDNBSSA-N 2 1 257.378 -0.197 20 0 CBADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001342915352 889845589 /nfs/dbraw/zinc/84/55/89/889845589.db2.gz WOXGTJHVMZLJDX-VXGBXAGGSA-N 2 1 256.394 -0.325 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC([NH3+])CC1 ZINC001343019909 889854647 /nfs/dbraw/zinc/85/46/47/889854647.db2.gz HAYCLDNOARAZSE-PWSUYJOCSA-N 2 1 252.362 -0.676 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001343372514 889895483 /nfs/dbraw/zinc/89/54/83/889895483.db2.gz SRQYKXXKCXSPQY-JQWIXIFHSA-N 2 1 255.362 -0.491 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001343372557 889897112 /nfs/dbraw/zinc/89/71/12/889897112.db2.gz UFCVQYKYWVJWDV-OAHLLOKOSA-N 2 1 299.415 -0.328 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@@H+](C)CCN1C ZINC001343487589 889919782 /nfs/dbraw/zinc/91/97/82/889919782.db2.gz FHGWEDGSMNDTMS-CYDGBPFRSA-N 2 1 268.405 -0.265 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001344057326 889997574 /nfs/dbraw/zinc/99/75/74/889997574.db2.gz FVKADAMPULABSB-XSRFYTQQSA-N 2 1 255.362 -0.313 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC001344519128 890034975 /nfs/dbraw/zinc/03/49/75/890034975.db2.gz SJXBIQBBCWOMMO-RVMXOQNASA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@@H]([NH3+])CC(=O)NCCCCC[NH+]1CCNCC1 ZINC001344919974 890079601 /nfs/dbraw/zinc/07/96/01/890079601.db2.gz MVIDRQQIWZPLPT-GFCCVEGCSA-N 2 1 256.394 -0.085 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC[C@H](C)[NH2+]C)C1CC1 ZINC001345180975 890108111 /nfs/dbraw/zinc/10/81/11/890108111.db2.gz TYPDGSMKVXRXEK-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP CN1CC[NH2+]C[C@@H]1C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001345489645 890134302 /nfs/dbraw/zinc/13/43/02/890134302.db2.gz CTFUSNAJFXTVBW-GFCCVEGCSA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001345501069 890138246 /nfs/dbraw/zinc/13/82/46/890138246.db2.gz JGPSEEQZOMELLL-OBPIAQAESA-N 2 1 264.373 -0.616 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001345545391 890141363 /nfs/dbraw/zinc/14/13/63/890141363.db2.gz PDQAYODDQSBGHG-JOCQHMNTSA-N 2 1 268.405 -0.133 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001345911288 890177387 /nfs/dbraw/zinc/17/73/87/890177387.db2.gz IMXLNLGQCCYSJV-JHJVBQTASA-N 2 1 296.415 -0.312 20 0 CBADMP CC(C)[C@@H]([NH3+])CCN(C)CC(=O)N1CCNCC1 ZINC001346017148 890195966 /nfs/dbraw/zinc/19/59/66/890195966.db2.gz KNACRTUOLQAXHO-LBPRGKRZSA-N 3 1 256.394 -0.277 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001346028313 890197832 /nfs/dbraw/zinc/19/78/32/890197832.db2.gz LGNCYSJZOIVBSG-LBPRGKRZSA-N 3 1 268.365 -0.651 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC2CC[NH2+]CC2)CC1 ZINC001346103292 890213456 /nfs/dbraw/zinc/21/34/56/890213456.db2.gz IFOKIAFQDNIJMR-UHFFFAOYSA-N 2 1 268.405 -0.118 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C ZINC001346173081 890228471 /nfs/dbraw/zinc/22/84/71/890228471.db2.gz KBGFAHUHGCAOKA-KGLIPLIRSA-N 2 1 298.431 -0.541 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001346173081 890228487 /nfs/dbraw/zinc/22/84/87/890228487.db2.gz KBGFAHUHGCAOKA-KGLIPLIRSA-N 2 1 298.431 -0.541 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001346173081 890228504 /nfs/dbraw/zinc/22/85/04/890228504.db2.gz KBGFAHUHGCAOKA-KGLIPLIRSA-N 2 1 298.431 -0.541 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+](C)C1CC1 ZINC001346309686 890264017 /nfs/dbraw/zinc/26/40/17/890264017.db2.gz ZPWRTFDTLJHFML-WCQYABFASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@H+](C)C1CC1 ZINC001346309686 890264031 /nfs/dbraw/zinc/26/40/31/890264031.db2.gz ZPWRTFDTLJHFML-WCQYABFASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@@H+](C)C1CC1 ZINC001346309686 890264047 /nfs/dbraw/zinc/26/40/47/890264047.db2.gz ZPWRTFDTLJHFML-WCQYABFASA-N 2 1 266.389 -0.415 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@]3(C)C[NH2+]CCO3)[C@H]2C1 ZINC001346384818 890280369 /nfs/dbraw/zinc/28/03/69/890280369.db2.gz GJRRFIBMIQXLIM-ZJQBRPOHSA-N 2 1 267.373 -0.179 20 0 CBADMP O=C(C[NH+]1CCC(CO)CC1)N[C@H]1C[NH2+]CC12CC2 ZINC001346462316 890297684 /nfs/dbraw/zinc/29/76/84/890297684.db2.gz RJNISCMBSFUTDJ-LBPRGKRZSA-N 2 1 267.373 -0.441 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CC[NH+](C)C ZINC001346611696 890333081 /nfs/dbraw/zinc/33/30/81/890333081.db2.gz LULZJFXQDBAESR-NEPJUHHUSA-N 2 1 254.378 -0.605 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C)[NH+](C)C ZINC001347047612 890395450 /nfs/dbraw/zinc/39/54/50/890395450.db2.gz MAYYMZAMIKOEOW-TUAOUCFPSA-N 2 1 254.378 -0.559 20 0 CBADMP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001347174211 890423752 /nfs/dbraw/zinc/42/37/52/890423752.db2.gz BAWSYUDUKARHFX-DGCLKSJQSA-N 2 1 255.362 -0.394 20 0 CBADMP [NH3+]Cc1cc(=O)[n-]c(C[NH2+]CC2CC[NH2+]CC2)n1 ZINC001348447165 890626224 /nfs/dbraw/zinc/62/62/24/890626224.db2.gz NPOOWMIZCUYCIX-UHFFFAOYSA-N 2 1 251.334 -0.270 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CC[NH+](C)C ZINC001449008909 913483031 /nfs/dbraw/zinc/48/30/31/913483031.db2.gz DGSIWEJQVSVPRK-NWDGAFQWSA-N 2 1 294.403 -0.154 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001449025692 913483227 /nfs/dbraw/zinc/48/32/27/913483227.db2.gz VDHANNKDAAGATP-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001449025688 913483689 /nfs/dbraw/zinc/48/36/89/913483689.db2.gz VDHANNKDAAGATP-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CC=CC1 ZINC001349075560 890755055 /nfs/dbraw/zinc/75/50/55/890755055.db2.gz XDGTUNIKBCJPDG-OLZOCXBDSA-N 2 1 264.373 -0.637 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001349317462 890793881 /nfs/dbraw/zinc/79/38/81/890793881.db2.gz CEDBIKIVEOKYIF-UWVGGRQHSA-N 2 1 266.345 -0.747 20 0 CBADMP NC(=O)C[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC001349388535 890805353 /nfs/dbraw/zinc/80/53/53/890805353.db2.gz DDPYUXHLGAAQNE-GFCCVEGCSA-N 2 1 254.378 -0.521 20 0 CBADMP O=C(C[N@H+](CCCCO)C1CC1)N1CC[NH2+]CC1 ZINC001349390264 890805413 /nfs/dbraw/zinc/80/54/13/890805413.db2.gz SEUSBFIRVHNWBP-UHFFFAOYSA-N 2 1 255.362 -0.345 20 0 CBADMP [NH3+]Cc1ocnc1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001349815180 890898699 /nfs/dbraw/zinc/89/86/99/890898699.db2.gz GQRSOCSSKIFPCA-ZETCQYMHSA-N 2 1 260.244 -0.140 20 0 CBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ncoc1C[NH3+])C2 ZINC001349830045 890901586 /nfs/dbraw/zinc/90/15/86/890901586.db2.gz PZVPRSBDTKNYDY-QPUJVOFHSA-N 2 1 250.302 -0.185 20 0 CBADMP C[C@@H](C(=O)NCCC(C)(C)[NH3+])N1CC[NH+](C)CC1 ZINC001349875256 890910948 /nfs/dbraw/zinc/91/09/48/890910948.db2.gz UGBMATYYDMUTTN-NSHDSACASA-N 2 1 256.394 -0.134 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC001349996096 890922479 /nfs/dbraw/zinc/92/24/79/890922479.db2.gz VJWBEZWKJGIDTD-NNYUYHANSA-N 2 1 282.388 -0.561 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001350045517 890929024 /nfs/dbraw/zinc/92/90/24/890929024.db2.gz KLHGPQHITOYJQG-IJLUTSLNSA-N 2 1 282.388 -0.560 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH3+])C1 ZINC001350331644 890963834 /nfs/dbraw/zinc/96/38/34/890963834.db2.gz AKYMCZJLEVKXRO-LLVKDONJSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cnn(C)n1 ZINC001350931732 891071414 /nfs/dbraw/zinc/07/14/14/891071414.db2.gz LSOVEUADMUKQHS-SNVBAGLBSA-N 2 1 253.350 -0.078 20 0 CBADMP O=C(C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001351984051 891207463 /nfs/dbraw/zinc/20/74/63/891207463.db2.gz UVWBVSXEOXVFAZ-XQQFMLRXSA-N 2 1 292.383 -0.744 20 0 CBADMP C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH]cn1 ZINC001449203233 913539583 /nfs/dbraw/zinc/53/95/83/913539583.db2.gz XXKRYZAOYRPDLP-YPMHNXCESA-N 2 1 298.387 -0.526 20 0 CBADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC001352839568 891304587 /nfs/dbraw/zinc/30/45/87/891304587.db2.gz OWYUGMKWMYTHIA-GRYCIOLGSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@H]1CC[NH+]1C ZINC001352985901 891337698 /nfs/dbraw/zinc/33/76/98/891337698.db2.gz MXGLPTPJDSORHZ-WOPDTQHZSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001352985901 891337717 /nfs/dbraw/zinc/33/77/17/891337717.db2.gz MXGLPTPJDSORHZ-WOPDTQHZSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@@H]1CC[N@H+]1C ZINC001352985901 891337734 /nfs/dbraw/zinc/33/77/34/891337734.db2.gz MXGLPTPJDSORHZ-WOPDTQHZSA-N 2 1 252.362 -0.805 20 0 CBADMP 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 891382229 /nfs/dbraw/zinc/38/22/29/891382229.db2.gz GSPSUGYEMFZUHE-FDYHWXHSSA-N 2 1 294.399 -0.608 20 0 CBADMP 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 891382736 /nfs/dbraw/zinc/38/27/36/891382736.db2.gz GSPSUGYEMFZUHE-CYDGBPFRSA-N 2 1 294.399 -0.608 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CCNc1ncccn1)C1CC1 ZINC001353239752 891383268 /nfs/dbraw/zinc/38/32/68/891383268.db2.gz LLKRGEBUWDSENY-LBPRGKRZSA-N 2 1 265.361 -0.067 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCNc1ncccn1)C1CC1 ZINC001353239752 891383284 /nfs/dbraw/zinc/38/32/84/891383284.db2.gz LLKRGEBUWDSENY-LBPRGKRZSA-N 2 1 265.361 -0.067 20 0 CBADMP CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)[C@H]1CC[NH+](C)C1 ZINC001449240060 913551783 /nfs/dbraw/zinc/55/17/83/913551783.db2.gz HNXMCGJTGBHZLR-RYUDHWBXSA-N 2 1 275.368 -0.341 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)[C@H]1CC[NH+](C)C1 ZINC001449240060 913551801 /nfs/dbraw/zinc/55/18/01/913551801.db2.gz HNXMCGJTGBHZLR-RYUDHWBXSA-N 2 1 275.368 -0.341 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCF)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001449240060 913551812 /nfs/dbraw/zinc/55/18/12/913551812.db2.gz HNXMCGJTGBHZLR-RYUDHWBXSA-N 2 1 275.368 -0.341 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCF)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449240060 913551824 /nfs/dbraw/zinc/55/18/24/913551824.db2.gz HNXMCGJTGBHZLR-RYUDHWBXSA-N 2 1 275.368 -0.341 20 0 CBADMP COCCOC[C@@H](O)C[NH2+][C@H]1CCc2c[nH+]cn2C1 ZINC001353242416 891388013 /nfs/dbraw/zinc/38/80/13/891388013.db2.gz WKCMFPZBINMQQJ-AAEUAGOBSA-N 2 1 269.345 -0.189 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC001353299299 891396777 /nfs/dbraw/zinc/39/67/77/891396777.db2.gz NCPDIJVKFYLCGD-QNWHQSFQSA-N 2 1 294.399 -0.417 20 0 CBADMP CC(C)(O)[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001353496713 891436043 /nfs/dbraw/zinc/43/60/43/891436043.db2.gz TYGPKODSASPTTF-MWLCHTKSSA-N 2 1 255.362 -0.315 20 0 CBADMP CC(C)([NH3+])CCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001353501635 891437528 /nfs/dbraw/zinc/43/75/28/891437528.db2.gz YVSDAKGETVMNJV-SNVBAGLBSA-N 2 1 258.366 -0.520 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC001353535928 891443803 /nfs/dbraw/zinc/44/38/03/891443803.db2.gz WUGPBKDPUIBFTL-UMNHJUIQSA-N 2 1 257.378 -0.198 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1([NH3+])CCC1 ZINC001353603038 891452402 /nfs/dbraw/zinc/45/24/02/891452402.db2.gz YHMKYNNYIBAIGQ-QWRGUYRKSA-N 2 1 252.362 -0.628 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1([NH3+])CCC1 ZINC001353603034 891453109 /nfs/dbraw/zinc/45/31/09/891453109.db2.gz YHMKYNNYIBAIGQ-GHMZBOCLSA-N 2 1 252.362 -0.628 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001353727704 891467512 /nfs/dbraw/zinc/46/75/12/891467512.db2.gz LKPCOPCQQKNNRI-AGIUHOORSA-N 2 1 268.405 -0.311 20 0 CBADMP COCCOC[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001354185755 891529767 /nfs/dbraw/zinc/52/97/67/891529767.db2.gz VNYWBSUGQILRGI-CYDGBPFRSA-N 2 1 258.362 -0.178 20 0 CBADMP O=C(C[N@@H+]1CCCCC[C@H]1CO)N1CC[NH2+]CC1 ZINC001354184991 891530418 /nfs/dbraw/zinc/53/04/18/891530418.db2.gz OWHNSWJFUKOVTR-LBPRGKRZSA-N 2 1 255.362 -0.345 20 0 CBADMP Cn1nncc1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC001354881638 891623302 /nfs/dbraw/zinc/62/33/02/891623302.db2.gz XPBXIMZBAXMFOJ-UHFFFAOYSA-N 2 1 253.350 -0.296 20 0 CBADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC001354916220 891626936 /nfs/dbraw/zinc/62/69/36/891626936.db2.gz UKWDYVWLGPYOHU-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC001354916220 891626944 /nfs/dbraw/zinc/62/69/44/891626944.db2.gz UKWDYVWLGPYOHU-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CC[NH2+]CC(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001354894328 891627669 /nfs/dbraw/zinc/62/76/69/891627669.db2.gz UYHOLKZZUWKZJW-ZDUSSCGKSA-N 2 1 263.345 -0.408 20 0 CBADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC001354916225 891627980 /nfs/dbraw/zinc/62/79/80/891627980.db2.gz UKWDYVWLGPYOHU-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC001354916225 891627988 /nfs/dbraw/zinc/62/79/88/891627988.db2.gz UKWDYVWLGPYOHU-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP C[C@]1(C(=O)NCCCCC[NH+]2CCNCC2)C[NH2+]CCO1 ZINC001354970545 891634054 /nfs/dbraw/zinc/63/40/54/891634054.db2.gz NISTWTCMCUUOEG-OAHLLOKOSA-N 2 1 298.431 -0.443 20 0 CBADMP Cc1ccc(NCCNC(=O)[C@@H]2C[NH2+]CCN2C)[nH+]c1 ZINC001355171699 891658329 /nfs/dbraw/zinc/65/83/29/891658329.db2.gz YPOLGLCQZATREC-LBPRGKRZSA-N 2 1 277.372 -0.178 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001355817812 891708427 /nfs/dbraw/zinc/70/84/27/891708427.db2.gz DPTQFSSPHISFAH-VXGBXAGGSA-N 2 1 256.394 -0.134 20 0 CBADMP C[C@H](NC(=O)CC[NH2+]C1CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001356252696 891743772 /nfs/dbraw/zinc/74/37/72/891743772.db2.gz JRQRAANKDDEGDX-AAEUAGOBSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)CC[NH2+]C1CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001356252696 891743792 /nfs/dbraw/zinc/74/37/92/891743792.db2.gz JRQRAANKDDEGDX-AAEUAGOBSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)CC[NH2+]C1CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001356252696 891743801 /nfs/dbraw/zinc/74/38/01/891743801.db2.gz JRQRAANKDDEGDX-AAEUAGOBSA-N 2 1 268.405 -0.121 20 0 CBADMP C[N@@H+]1CCN(C(=O)C2=CCC[NH2+]CC2)[C@H](CO)C1 ZINC001356253627 891744152 /nfs/dbraw/zinc/74/41/52/891744152.db2.gz OATGRBDVQQPCCG-LBPRGKRZSA-N 2 1 253.346 -0.569 20 0 CBADMP C[N@H+]1CCN(C(=O)C2=CCC[NH2+]CC2)[C@H](CO)C1 ZINC001356253627 891744157 /nfs/dbraw/zinc/74/41/57/891744157.db2.gz OATGRBDVQQPCCG-LBPRGKRZSA-N 2 1 253.346 -0.569 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])[C@@H]2C1 ZINC001356414314 891755985 /nfs/dbraw/zinc/75/59/85/891755985.db2.gz XMYLEUZOHUASNY-RNWYCLNJSA-N 2 1 253.346 -0.441 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])[C@@H]2C1 ZINC001356414313 891756557 /nfs/dbraw/zinc/75/65/57/891756557.db2.gz XMYLEUZOHUASNY-KZZRWZIVSA-N 2 1 253.346 -0.441 20 0 CBADMP CN1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1=O ZINC001357165720 891855077 /nfs/dbraw/zinc/85/50/77/891855077.db2.gz HOFSEASGLOZDJG-JQWIXIFHSA-N 2 1 255.362 -0.348 20 0 CBADMP CN1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC001357165720 891855086 /nfs/dbraw/zinc/85/50/86/891855086.db2.gz HOFSEASGLOZDJG-JQWIXIFHSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1C ZINC001357241679 891860687 /nfs/dbraw/zinc/86/06/87/891860687.db2.gz JYFCOFRZEDMAPB-OLZOCXBDSA-N 2 1 283.420 -0.327 20 0 CBADMP C[C@@H]1C[N@H+](CCCCNC(=O)C[C@@H](O)C[NH3+])C[C@H](C)O1 ZINC001357366146 891875812 /nfs/dbraw/zinc/87/58/12/891875812.db2.gz FFBYBGGFIIMTOU-FRRDWIJNSA-N 2 1 287.404 -0.298 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)CNCC[NH3+])C[C@H](C)O1 ZINC001357376394 891877768 /nfs/dbraw/zinc/87/77/68/891877768.db2.gz PUABCLMOHYLMFF-HZSPNIEDSA-N 2 1 298.431 -0.365 20 0 CBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)CNCC[NH3+])C[C@H](C)O1 ZINC001357376394 891877783 /nfs/dbraw/zinc/87/77/83/891877783.db2.gz PUABCLMOHYLMFF-HZSPNIEDSA-N 2 1 298.431 -0.365 20 0 CBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CNCC[NH3+])C[C@@H](C)O1 ZINC001357376396 891879929 /nfs/dbraw/zinc/87/99/29/891879929.db2.gz PUABCLMOHYLMFF-MCIONIFRSA-N 2 1 298.431 -0.365 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CNCC[NH3+])C[C@H](C)O1 ZINC001357376400 891879955 /nfs/dbraw/zinc/87/99/55/891879955.db2.gz PUABCLMOHYLMFF-MJBXVCDLSA-N 2 1 298.431 -0.365 20 0 CBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CNCC[NH3+])C[C@H](C)O1 ZINC001357376400 891879967 /nfs/dbraw/zinc/87/99/67/891879967.db2.gz PUABCLMOHYLMFF-MJBXVCDLSA-N 2 1 298.431 -0.365 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[N@H+]1C ZINC001357405576 891887134 /nfs/dbraw/zinc/88/71/34/891887134.db2.gz TXHODYTZFXBJAO-AGIUHOORSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001357453245 891894342 /nfs/dbraw/zinc/89/43/42/891894342.db2.gz MEMAOFGXJJINEK-LBPRGKRZSA-N 2 1 282.388 -0.652 20 0 CBADMP [NH3+]C1CC(CC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC001357546971 891912680 /nfs/dbraw/zinc/91/26/80/891912680.db2.gz ZDWFGDNALALIED-UHFFFAOYSA-N 2 1 255.362 -0.048 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC001357572927 891913596 /nfs/dbraw/zinc/91/35/96/891913596.db2.gz MPGZPLMCTIIQLZ-PWSUYJOCSA-N 2 1 257.378 -0.245 20 0 CBADMP O=C(NCC[C@H]1CSCC[NH2+]1)[C@@H]1CSC[NH2+]1 ZINC001357658529 891927364 /nfs/dbraw/zinc/92/73/64/891927364.db2.gz BTKXHHOWWQPDCA-IUCAKERBSA-N 2 1 261.416 -0.140 20 0 CBADMP C[C@@H]([NH3+])CONC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001357872458 891944749 /nfs/dbraw/zinc/94/47/49/891944749.db2.gz BASJRJCYLRAONP-SFYZADRCSA-N 2 1 253.306 -0.617 20 0 CBADMP C[C@H]([NH3+])CONC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001357872460 891944996 /nfs/dbraw/zinc/94/49/96/891944996.db2.gz BASJRJCYLRAONP-YUMQZZPRSA-N 2 1 253.306 -0.617 20 0 CBADMP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001357967067 891951296 /nfs/dbraw/zinc/95/12/96/891951296.db2.gz PEEUKPVHSNNLFC-NWDGAFQWSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[C@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC[N@@H+]1C ZINC001357992951 891954778 /nfs/dbraw/zinc/95/47/78/891954778.db2.gz LYRDTQWMJFNQRN-BZPMIXESSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[C@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC[N@H+]1C ZINC001357992951 891954785 /nfs/dbraw/zinc/95/47/85/891954785.db2.gz LYRDTQWMJFNQRN-BZPMIXESSA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001358070636 891969315 /nfs/dbraw/zinc/96/93/15/891969315.db2.gz WUVUKVUNJNRILX-NDBYEHHHSA-N 2 1 266.389 -0.654 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC001358118239 891971808 /nfs/dbraw/zinc/97/18/08/891971808.db2.gz AZJQUKNRKKASLB-LBPRGKRZSA-N 3 1 254.378 -0.332 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CO[C@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC001358187268 891978879 /nfs/dbraw/zinc/97/88/79/891978879.db2.gz VXBNCOSVLIAKCP-WOPDTQHZSA-N 2 1 255.362 -0.036 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001450353341 913686078 /nfs/dbraw/zinc/68/60/78/913686078.db2.gz UCQKHLNDCOQDBS-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001362990568 893237939 /nfs/dbraw/zinc/23/79/39/893237939.db2.gz KWVQPSBGIZUHFT-AAEUAGOBSA-N 2 1 283.372 -0.704 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001362990568 893237953 /nfs/dbraw/zinc/23/79/53/893237953.db2.gz KWVQPSBGIZUHFT-AAEUAGOBSA-N 2 1 283.372 -0.704 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C[C@H](C)[NH2+]1 ZINC001363024405 893276531 /nfs/dbraw/zinc/27/65/31/893276531.db2.gz PROFPCRPAGOYIU-DGAVXFQQSA-N 2 1 280.416 -0.026 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@]3(CCOC3=O)C2)CC1 ZINC001363313369 893572561 /nfs/dbraw/zinc/57/25/61/893572561.db2.gz OVCJVOKUUAKOKK-HNNXBMFYSA-N 2 1 295.383 -0.164 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)CC1 ZINC001363336951 893597692 /nfs/dbraw/zinc/59/76/92/893597692.db2.gz XUWXYMBRKRPODP-QWHCGFSZSA-N 2 1 299.415 -0.881 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@]2(CO)COCC[NH2+]2)CCCC1 ZINC001363606461 893842274 /nfs/dbraw/zinc/84/22/74/893842274.db2.gz VKUYPMDCMJGPGU-ZDUSSCGKSA-N 2 1 285.388 -0.672 20 0 CBADMP C[NH+](C)C[C@]1(O)CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1 ZINC001363676382 893903553 /nfs/dbraw/zinc/90/35/53/893903553.db2.gz MOFDHEAZXVNRHX-UMVBOHGHSA-N 2 1 299.415 -0.643 20 0 CBADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CNC(=O)C3)CC2)C1 ZINC001363789393 893996548 /nfs/dbraw/zinc/99/65/48/893996548.db2.gz DBIYYHTWXMWISA-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP CN1CCN(C(=O)CC[N@@H+](C)CCn2cnnc2)CC1 ZINC001363811270 894018723 /nfs/dbraw/zinc/01/87/23/894018723.db2.gz KLXNZAMVLYXOLE-UHFFFAOYSA-N 2 1 280.376 -0.626 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCn1cnnc1 ZINC001363811270 894018741 /nfs/dbraw/zinc/01/87/41/894018741.db2.gz KLXNZAMVLYXOLE-UHFFFAOYSA-N 2 1 280.376 -0.626 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCn1cnnc1 ZINC001363811270 894018761 /nfs/dbraw/zinc/01/87/61/894018761.db2.gz KLXNZAMVLYXOLE-UHFFFAOYSA-N 2 1 280.376 -0.626 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001363864671 894066405 /nfs/dbraw/zinc/06/64/05/894066405.db2.gz XJFWERUPCPGBLI-JTQLQIEISA-N 2 1 291.359 -0.306 20 0 CBADMP CC(C)[C@H]1CN(S(=O)(=O)N2CCN(C)CC2)CCN1 ZINC001364025107 894151686 /nfs/dbraw/zinc/15/16/86/894151686.db2.gz AKSYWNNZJONSCQ-GFCCVEGCSA-N 2 1 290.433 -0.592 20 0 CBADMP COC[C@@]1(CO)CC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC001364410922 894398367 /nfs/dbraw/zinc/39/83/67/894398367.db2.gz IJVYIQHEXWLEJN-HNNXBMFYSA-N 2 1 299.415 -0.519 20 0 CBADMP COC[C@@]1(CO)CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001364410922 894398377 /nfs/dbraw/zinc/39/83/77/894398377.db2.gz IJVYIQHEXWLEJN-HNNXBMFYSA-N 2 1 299.415 -0.519 20 0 CBADMP COC[C@@]1(CO)CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001364410922 894398389 /nfs/dbraw/zinc/39/83/89/894398389.db2.gz IJVYIQHEXWLEJN-HNNXBMFYSA-N 2 1 299.415 -0.519 20 0 CBADMP COC[C@]1(CO)CC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC001364410923 894400714 /nfs/dbraw/zinc/40/07/14/894400714.db2.gz IJVYIQHEXWLEJN-OAHLLOKOSA-N 2 1 299.415 -0.519 20 0 CBADMP COC[C@]1(CO)CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001364410923 894400721 /nfs/dbraw/zinc/40/07/21/894400721.db2.gz IJVYIQHEXWLEJN-OAHLLOKOSA-N 2 1 299.415 -0.519 20 0 CBADMP COC[C@]1(CO)CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001364410923 894400726 /nfs/dbraw/zinc/40/07/26/894400726.db2.gz IJVYIQHEXWLEJN-OAHLLOKOSA-N 2 1 299.415 -0.519 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CO)[C@H]2CCCOC2)CC1 ZINC001364444695 894426207 /nfs/dbraw/zinc/42/62/07/894426207.db2.gz IVHPZVRTGJGCMZ-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364452512 894433474 /nfs/dbraw/zinc/43/34/74/894433474.db2.gz QGUVDKNEUIVKPV-PHIMTYICSA-N 2 1 279.344 -0.900 20 0 CBADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364452512 894433483 /nfs/dbraw/zinc/43/34/83/894433483.db2.gz QGUVDKNEUIVKPV-PHIMTYICSA-N 2 1 279.344 -0.900 20 0 CBADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC001364507807 894465476 /nfs/dbraw/zinc/46/54/76/894465476.db2.gz WOEGVPHXOAECHA-GFCCVEGCSA-N 2 1 278.356 -0.153 20 0 CBADMP Cn1ccn2c(CC[NH2+]C3CC[NH+](C)CC3)nnc2c1=O ZINC001364749636 894598216 /nfs/dbraw/zinc/59/82/16/894598216.db2.gz BPNJXZRNEONYRJ-UHFFFAOYSA-N 2 1 290.371 -0.346 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001364944126 894693922 /nfs/dbraw/zinc/69/39/22/894693922.db2.gz DDVSECIBCUUDFJ-TZMCWYRMSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1C[NH+](C)CC1(C)C ZINC001364955787 894699021 /nfs/dbraw/zinc/69/90/21/894699021.db2.gz RNPKQVBLSPCKGQ-AGIUHOORSA-N 2 1 280.416 -0.169 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001364955787 894699036 /nfs/dbraw/zinc/69/90/36/894699036.db2.gz RNPKQVBLSPCKGQ-AGIUHOORSA-N 2 1 280.416 -0.169 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001364955787 894699058 /nfs/dbraw/zinc/69/90/58/894699058.db2.gz RNPKQVBLSPCKGQ-AGIUHOORSA-N 2 1 280.416 -0.169 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC001365193135 894807588 /nfs/dbraw/zinc/80/75/88/894807588.db2.gz GOPQPPBAIJEBSY-AWEZNQCLSA-N 2 1 298.431 -0.803 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC001365193135 894807592 /nfs/dbraw/zinc/80/75/92/894807592.db2.gz GOPQPPBAIJEBSY-AWEZNQCLSA-N 2 1 298.431 -0.803 20 0 CBADMP CN(CCC[N@@H+](C)C[C@H](O)C(C)(C)O)CC[NH+](C)C ZINC001365305467 894884993 /nfs/dbraw/zinc/88/49/93/894884993.db2.gz VJFYUZIPCWNPJS-ZDUSSCGKSA-N 2 1 275.437 -0.067 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001365812671 895126388 /nfs/dbraw/zinc/12/63/88/895126388.db2.gz XYHCWUIUUYGVEQ-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940603 895146079 /nfs/dbraw/zinc/14/60/79/895146079.db2.gz HNRCQTKOYBXWCS-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940603 895146085 /nfs/dbraw/zinc/14/60/85/895146085.db2.gz HNRCQTKOYBXWCS-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001365993201 895166125 /nfs/dbraw/zinc/16/61/25/895166125.db2.gz VHADYKGRERDCDJ-RYUDHWBXSA-N 2 1 275.368 -0.151 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001366001848 895170853 /nfs/dbraw/zinc/17/08/53/895170853.db2.gz GBRAJSANPKDAGH-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366078875 895186123 /nfs/dbraw/zinc/18/61/23/895186123.db2.gz FWAKFABBGBWQHO-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366082993 895186462 /nfs/dbraw/zinc/18/64/62/895186462.db2.gz REFARDHNQDJERP-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001366095312 895188169 /nfs/dbraw/zinc/18/81/69/895188169.db2.gz YGUFRMFLEUBYDW-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001366142437 895204085 /nfs/dbraw/zinc/20/40/85/895204085.db2.gz OJEVYYPYTVRDQS-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001366141096 895206947 /nfs/dbraw/zinc/20/69/47/895206947.db2.gz IHLNAXFVGJWFLX-XQHKEYJVSA-N 2 1 285.388 -0.675 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001366149584 895209920 /nfs/dbraw/zinc/20/99/20/895209920.db2.gz KLATXTCMIGIUNM-TXEJJXNPSA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001366170043 895212346 /nfs/dbraw/zinc/21/23/46/895212346.db2.gz XDEYCDRXCLZXAE-XQQFMLRXSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1nncn1C ZINC001366283631 895256940 /nfs/dbraw/zinc/25/69/40/895256940.db2.gz GDMYJEZPZWUNKW-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1nncn1C ZINC001366283631 895256949 /nfs/dbraw/zinc/25/69/49/895256949.db2.gz GDMYJEZPZWUNKW-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@H]([NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001366281495 895260310 /nfs/dbraw/zinc/26/03/10/895260310.db2.gz AWLROGLCHABJNL-JQWIXIFHSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1nnnn1C ZINC001366321057 895277636 /nfs/dbraw/zinc/27/76/36/895277636.db2.gz HPFWBHDBAVGUKK-SNVBAGLBSA-N 2 1 295.391 -0.854 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001366348293 895288475 /nfs/dbraw/zinc/28/84/75/895288475.db2.gz SXLPHFPCBIMLKH-MNOVXSKESA-N 2 1 270.377 -0.832 20 0 CBADMP CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001366358061 895290198 /nfs/dbraw/zinc/29/01/98/895290198.db2.gz MYXFTEVXFFVWHJ-LBPRGKRZSA-N 2 1 294.403 -0.012 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001366356909 895290358 /nfs/dbraw/zinc/29/03/58/895290358.db2.gz JJTOOHAJAWZHED-VXGBXAGGSA-N 2 1 280.376 -0.676 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001366356907 895291388 /nfs/dbraw/zinc/29/13/88/895291388.db2.gz JJTOOHAJAWZHED-NWDGAFQWSA-N 2 1 280.376 -0.676 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001366356906 895292156 /nfs/dbraw/zinc/29/21/56/895292156.db2.gz JJTOOHAJAWZHED-NEPJUHHUSA-N 2 1 280.376 -0.676 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001366387912 895307401 /nfs/dbraw/zinc/30/74/01/895307401.db2.gz LIRNHZGQOWSIDN-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001366387912 895307411 /nfs/dbraw/zinc/30/74/11/895307411.db2.gz LIRNHZGQOWSIDN-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001366411620 895312964 /nfs/dbraw/zinc/31/29/64/895312964.db2.gz MHLNQLZIFMOLIP-RYUDHWBXSA-N 2 1 282.388 -0.748 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(N)=O)CC[N@H+]1C ZINC001366462644 895328121 /nfs/dbraw/zinc/32/81/21/895328121.db2.gz GXKQHGIYVGAPRA-GRYCIOLGSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001366541979 895366552 /nfs/dbraw/zinc/36/65/52/895366552.db2.gz SGLJPLRCSGRREJ-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001366541979 895366565 /nfs/dbraw/zinc/36/65/65/895366565.db2.gz SGLJPLRCSGRREJ-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001366542187 895372877 /nfs/dbraw/zinc/37/28/77/895372877.db2.gz TYEIPJZPFNVYER-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001366542187 895372889 /nfs/dbraw/zinc/37/28/89/895372889.db2.gz TYEIPJZPFNVYER-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)CC(N)=O ZINC001366616919 895408671 /nfs/dbraw/zinc/40/86/71/895408671.db2.gz PTGFAUPLYPIDAX-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)CC(N)=O ZINC001366616919 895408678 /nfs/dbraw/zinc/40/86/78/895408678.db2.gz PTGFAUPLYPIDAX-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](CC)CC(=O)NC)[NH+](C)C ZINC001366614861 895411106 /nfs/dbraw/zinc/41/11/06/895411106.db2.gz SVONXZLVPGDEJS-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](CC)CC(=O)NC)[NH+](C)C ZINC001366614861 895411116 /nfs/dbraw/zinc/41/11/16/895411116.db2.gz SVONXZLVPGDEJS-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CCNC(=O)C[N@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001366630259 895418759 /nfs/dbraw/zinc/41/87/59/895418759.db2.gz UIBHNXINJPMELT-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[N@@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001366630259 895418769 /nfs/dbraw/zinc/41/87/69/895418769.db2.gz UIBHNXINJPMELT-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001366630259 895418778 /nfs/dbraw/zinc/41/87/78/895418778.db2.gz UIBHNXINJPMELT-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+](CC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001366630259 895418784 /nfs/dbraw/zinc/41/87/84/895418784.db2.gz UIBHNXINJPMELT-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP O=C(Cc1c[nH]cn1)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001366700092 895434731 /nfs/dbraw/zinc/43/47/31/895434731.db2.gz UXOUDPDAPBUURX-CMPLNLGQSA-N 2 1 291.355 -0.721 20 0 CBADMP O=C(Cc1c[nH]cn1)NC[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001366700092 895434737 /nfs/dbraw/zinc/43/47/37/895434737.db2.gz UXOUDPDAPBUURX-CMPLNLGQSA-N 2 1 291.355 -0.721 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C1CC1)[C@@H]1CCNC1=O ZINC001366737716 895445223 /nfs/dbraw/zinc/44/52/23/895445223.db2.gz GTEIVOXWYFVFSD-QWHCGFSZSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C1CC1)[C@@H]1CCNC1=O ZINC001366737716 895445226 /nfs/dbraw/zinc/44/52/26/895445226.db2.gz GTEIVOXWYFVFSD-QWHCGFSZSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001366737716 895445231 /nfs/dbraw/zinc/44/52/31/895445231.db2.gz GTEIVOXWYFVFSD-QWHCGFSZSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001366737716 895445234 /nfs/dbraw/zinc/44/52/34/895445234.db2.gz GTEIVOXWYFVFSD-QWHCGFSZSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)C[N@@H+](C)C1CCC1)C(=O)N(C)C ZINC001366764904 895453626 /nfs/dbraw/zinc/45/36/26/895453626.db2.gz CQUOJHYSWODLMR-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[C@H]1CC[N@@H+](CCO)C1 ZINC001366843908 895467163 /nfs/dbraw/zinc/46/71/63/895467163.db2.gz BMMFWFSSGCGBQV-AWEZNQCLSA-N 2 1 299.415 -0.471 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[C@H]1CC[N@H+](CCO)C1 ZINC001366843908 895467169 /nfs/dbraw/zinc/46/71/69/895467169.db2.gz BMMFWFSSGCGBQV-AWEZNQCLSA-N 2 1 299.415 -0.471 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001366871700 895474086 /nfs/dbraw/zinc/47/40/86/895474086.db2.gz OZWDPOVGNPYPAO-RYUDHWBXSA-N 2 1 293.371 -0.463 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)CC(=O)NC)C1 ZINC001366881425 895478128 /nfs/dbraw/zinc/47/81/28/895478128.db2.gz SBKHIJQVYSBLQF-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC)C1 ZINC001366881425 895478137 /nfs/dbraw/zinc/47/81/37/895478137.db2.gz SBKHIJQVYSBLQF-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NC)C1 ZINC001366881425 895478145 /nfs/dbraw/zinc/47/81/45/895478145.db2.gz SBKHIJQVYSBLQF-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001366893469 895480049 /nfs/dbraw/zinc/48/00/49/895480049.db2.gz PBSWXGFLCHJJGD-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001366893469 895480055 /nfs/dbraw/zinc/48/00/55/895480055.db2.gz PBSWXGFLCHJJGD-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366907041 895480409 /nfs/dbraw/zinc/48/04/09/895480409.db2.gz GEJKIWLFCAFERZ-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001366907041 895480416 /nfs/dbraw/zinc/48/04/16/895480416.db2.gz GEJKIWLFCAFERZ-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366907041 895480424 /nfs/dbraw/zinc/48/04/24/895480424.db2.gz GEJKIWLFCAFERZ-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[C@@H](C(=O)NCC1C[NH+]([C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001366979029 895513109 /nfs/dbraw/zinc/51/31/09/895513109.db2.gz WRGOLTRXIDHKKL-STQMWFEESA-N 2 1 296.415 -0.395 20 0 CBADMP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001366974284 895513596 /nfs/dbraw/zinc/51/35/96/895513596.db2.gz QEMGQOVYAVUXKC-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001367001024 895520312 /nfs/dbraw/zinc/52/03/12/895520312.db2.gz VTEMQMXBHGENPT-XDQVBPFNSA-N 2 1 297.399 -0.770 20 0 CBADMP COC[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001367001024 895520322 /nfs/dbraw/zinc/52/03/22/895520322.db2.gz VTEMQMXBHGENPT-XDQVBPFNSA-N 2 1 297.399 -0.770 20 0 CBADMP COC[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367001024 895520329 /nfs/dbraw/zinc/52/03/29/895520329.db2.gz VTEMQMXBHGENPT-XDQVBPFNSA-N 2 1 297.399 -0.770 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001366996311 895521096 /nfs/dbraw/zinc/52/10/96/895521096.db2.gz MBQNXKFQCUFQCD-AGIUHOORSA-N 2 1 281.400 -0.006 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001367009372 895524142 /nfs/dbraw/zinc/52/41/42/895524142.db2.gz RHKAEJCIQCCKGT-AGIUHOORSA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001367009372 895524148 /nfs/dbraw/zinc/52/41/48/895524148.db2.gz RHKAEJCIQCCKGT-AGIUHOORSA-N 2 1 298.431 -0.102 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001367032445 895538926 /nfs/dbraw/zinc/53/89/26/895538926.db2.gz KOUJDUOEHKVSMZ-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001367036664 895541114 /nfs/dbraw/zinc/54/11/14/895541114.db2.gz YNECIKNISBMMCX-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC001367036664 895541118 /nfs/dbraw/zinc/54/11/18/895541118.db2.gz YNECIKNISBMMCX-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001367036664 895541125 /nfs/dbraw/zinc/54/11/25/895541125.db2.gz YNECIKNISBMMCX-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001367034425 895541532 /nfs/dbraw/zinc/54/15/32/895541532.db2.gz XSGSZNMRFHLEJP-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001367034425 895541542 /nfs/dbraw/zinc/54/15/42/895541542.db2.gz XSGSZNMRFHLEJP-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001367036258 895542719 /nfs/dbraw/zinc/54/27/19/895542719.db2.gz VHUVAKHEVHSNAT-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001367036258 895542727 /nfs/dbraw/zinc/54/27/27/895542727.db2.gz VHUVAKHEVHSNAT-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001367036257 895543713 /nfs/dbraw/zinc/54/37/13/895543713.db2.gz VHUVAKHEVHSNAT-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001367036257 895543720 /nfs/dbraw/zinc/54/37/20/895543720.db2.gz VHUVAKHEVHSNAT-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001367058457 895548206 /nfs/dbraw/zinc/54/82/06/895548206.db2.gz BZDKNJDRKVSWIS-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001367058457 895548210 /nfs/dbraw/zinc/54/82/10/895548210.db2.gz BZDKNJDRKVSWIS-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001367058457 895548216 /nfs/dbraw/zinc/54/82/16/895548216.db2.gz BZDKNJDRKVSWIS-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001367058457 895548224 /nfs/dbraw/zinc/54/82/24/895548224.db2.gz BZDKNJDRKVSWIS-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001367080807 895552239 /nfs/dbraw/zinc/55/22/39/895552239.db2.gz OFSOECNUMXAJPF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001367080807 895552246 /nfs/dbraw/zinc/55/22/46/895552246.db2.gz OFSOECNUMXAJPF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001367080807 895552251 /nfs/dbraw/zinc/55/22/51/895552251.db2.gz OFSOECNUMXAJPF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001367080807 895552259 /nfs/dbraw/zinc/55/22/59/895552259.db2.gz OFSOECNUMXAJPF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001367077857 895553515 /nfs/dbraw/zinc/55/35/15/895553515.db2.gz RRTYQPRIDGSIQW-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001367077857 895553524 /nfs/dbraw/zinc/55/35/24/895553524.db2.gz RRTYQPRIDGSIQW-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001367118381 895571878 /nfs/dbraw/zinc/57/18/78/895571878.db2.gz YRJCIFSLOKJYSF-DGCLKSJQSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001367118381 895571881 /nfs/dbraw/zinc/57/18/81/895571881.db2.gz YRJCIFSLOKJYSF-DGCLKSJQSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@@H](CNC(=O)CC[N@@H+](C)CC)[NH2+][C@H]1CCNC1=O ZINC001367145900 895579089 /nfs/dbraw/zinc/57/90/89/895579089.db2.gz VCAGCCXKEQYYDS-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001367217605 895583562 /nfs/dbraw/zinc/58/35/62/895583562.db2.gz RVTXOCLYUXMLEG-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CC(=O)NC1CC1 ZINC001367230889 895589737 /nfs/dbraw/zinc/58/97/37/895589737.db2.gz CUKGUVUMLHHEDN-DGCLKSJQSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[C@H]([NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001367291436 895604566 /nfs/dbraw/zinc/60/45/66/895604566.db2.gz WAGLHKJSBXZZPC-PWSUYJOCSA-N 2 1 295.387 -0.203 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367290000 895605969 /nfs/dbraw/zinc/60/59/69/895605969.db2.gz NQNGRDLYEHNAOQ-CHWSQXEVSA-N 2 1 298.431 -0.194 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367423909 895636375 /nfs/dbraw/zinc/63/63/75/895636375.db2.gz RMMZGGJQKWMNID-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367423910 895636706 /nfs/dbraw/zinc/63/67/06/895636706.db2.gz RMMZGGJQKWMNID-YNEHKIRRSA-N 2 1 298.431 -0.149 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]([NH2+][C@H](C)C(N)=O)C(C)C ZINC001367475204 895642382 /nfs/dbraw/zinc/64/23/82/895642382.db2.gz YAAYEOHUWUTQRH-NEPJUHHUSA-N 2 1 295.387 -0.204 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001367509282 895650106 /nfs/dbraw/zinc/65/01/06/895650106.db2.gz FXDQPTKERRFXSH-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001367509282 895650110 /nfs/dbraw/zinc/65/01/10/895650110.db2.gz FXDQPTKERRFXSH-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001367509282 895650113 /nfs/dbraw/zinc/65/01/13/895650113.db2.gz FXDQPTKERRFXSH-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001367509282 895650116 /nfs/dbraw/zinc/65/01/16/895650116.db2.gz FXDQPTKERRFXSH-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001367546698 895660109 /nfs/dbraw/zinc/66/01/09/895660109.db2.gz SFKWSCNRQLGZNI-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001367546698 895660122 /nfs/dbraw/zinc/66/01/22/895660122.db2.gz SFKWSCNRQLGZNI-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367546698 895660132 /nfs/dbraw/zinc/66/01/32/895660132.db2.gz SFKWSCNRQLGZNI-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367546698 895660140 /nfs/dbraw/zinc/66/01/40/895660140.db2.gz SFKWSCNRQLGZNI-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nonc1C)[NH+](C)C ZINC001367593999 895689864 /nfs/dbraw/zinc/68/98/64/895689864.db2.gz NBWDPGVXEGSEPC-ZYHUDNBSSA-N 2 1 299.375 -0.715 20 0 CBADMP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001367599926 895693828 /nfs/dbraw/zinc/69/38/28/895693828.db2.gz CSERSWFSFJFCIE-WCQYABFASA-N 2 1 296.371 -0.356 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367671531 895738206 /nfs/dbraw/zinc/73/82/06/895738206.db2.gz ZBTGYTHXDLZLSX-FDYHWXHSSA-N 2 1 287.404 -0.572 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367688676 895744472 /nfs/dbraw/zinc/74/44/72/895744472.db2.gz HADDYHNTYHXKAA-GHMZBOCLSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367688676 895744490 /nfs/dbraw/zinc/74/44/90/895744490.db2.gz HADDYHNTYHXKAA-GHMZBOCLSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001367755411 895788640 /nfs/dbraw/zinc/78/86/40/895788640.db2.gz VZXYAWCGQBEAAR-DCAQKATOSA-N 2 1 270.377 -0.704 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001367778161 895803441 /nfs/dbraw/zinc/80/34/41/895803441.db2.gz XULXHWLAOYDDBK-JQWIXIFHSA-N 2 1 295.387 -0.237 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367852323 895832473 /nfs/dbraw/zinc/83/24/73/895832473.db2.gz RPWPGKOPJJHWPB-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367852323 895832482 /nfs/dbraw/zinc/83/24/82/895832482.db2.gz RPWPGKOPJJHWPB-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C[NH+]1CCCC1 ZINC001367858891 895834593 /nfs/dbraw/zinc/83/45/93/895834593.db2.gz UVUQVMDSADSNDR-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C[NH+]1CCCC1 ZINC001367858891 895834600 /nfs/dbraw/zinc/83/46/00/895834600.db2.gz UVUQVMDSADSNDR-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)CC[N@H+]1C ZINC001367907057 895849201 /nfs/dbraw/zinc/84/92/01/895849201.db2.gz LGSUTZWKPGVJAB-DRZSPHRISA-N 2 1 296.415 -0.314 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001367897883 895850028 /nfs/dbraw/zinc/85/00/28/895850028.db2.gz SZNLPAMKKVZPCF-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP Cn1cc(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CC2)nn1 ZINC001367914192 895851412 /nfs/dbraw/zinc/85/14/12/895851412.db2.gz UAWFBOKCXFSPRZ-CYBMUJFWSA-N 2 1 294.403 -0.249 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001367926903 895853531 /nfs/dbraw/zinc/85/35/31/895853531.db2.gz WDAYDEKXSYTCRM-NWDGAFQWSA-N 2 1 282.388 -0.832 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367922312 895855875 /nfs/dbraw/zinc/85/58/75/895855875.db2.gz UIQHARNKNFJUSZ-OLZOCXBDSA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)OCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001367936943 895859586 /nfs/dbraw/zinc/85/95/86/895859586.db2.gz OTASIGFNOBROJW-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)OCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001367936943 895859597 /nfs/dbraw/zinc/85/95/97/895859597.db2.gz OTASIGFNOBROJW-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001367948540 895862413 /nfs/dbraw/zinc/86/24/13/895862413.db2.gz GUUMBGSWTGXILC-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001367948540 895862427 /nfs/dbraw/zinc/86/24/27/895862427.db2.gz GUUMBGSWTGXILC-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367948540 895862444 /nfs/dbraw/zinc/86/24/44/895862444.db2.gz GUUMBGSWTGXILC-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367948540 895862459 /nfs/dbraw/zinc/86/24/59/895862459.db2.gz GUUMBGSWTGXILC-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001367948767 895865907 /nfs/dbraw/zinc/86/59/07/895865907.db2.gz JSOCYULZQGUEBW-OLZOCXBDSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001367948767 895865916 /nfs/dbraw/zinc/86/59/16/895865916.db2.gz JSOCYULZQGUEBW-OLZOCXBDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+]1CCC(OCC(=O)NC[C@H]2CC[N@H+]2CCCO)CC1 ZINC001367968478 895873064 /nfs/dbraw/zinc/87/30/64/895873064.db2.gz NHJZOQJYPKSSSW-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC2CC2)CC1 ZINC001368022775 895891982 /nfs/dbraw/zinc/89/19/82/895891982.db2.gz OFFCSPXAPZBCFU-GFCCVEGCSA-N 2 1 294.399 -0.402 20 0 CBADMP CC(C)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001368035595 895896196 /nfs/dbraw/zinc/89/61/96/895896196.db2.gz ODZVVYXZROFFEF-GFCCVEGCSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001368117205 895918653 /nfs/dbraw/zinc/91/86/53/895918653.db2.gz ABJITXNPKMMIAE-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CCF)C1)[NH+](C)C ZINC001368252171 895942570 /nfs/dbraw/zinc/94/25/70/895942570.db2.gz FNLMASCYNVQDCJ-YPMHNXCESA-N 2 1 275.368 -0.151 20 0 CBADMP CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1)[NH+](C)C ZINC001368252171 895942581 /nfs/dbraw/zinc/94/25/81/895942581.db2.gz FNLMASCYNVQDCJ-YPMHNXCESA-N 2 1 275.368 -0.151 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001368407467 896002318 /nfs/dbraw/zinc/00/23/18/896002318.db2.gz VJXUZOWDQSYVCY-BFHYXJOUSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001368407467 896002327 /nfs/dbraw/zinc/00/23/27/896002327.db2.gz VJXUZOWDQSYVCY-BFHYXJOUSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001368407467 896002339 /nfs/dbraw/zinc/00/23/39/896002339.db2.gz VJXUZOWDQSYVCY-BFHYXJOUSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001368407471 896005335 /nfs/dbraw/zinc/00/53/35/896005335.db2.gz VJXUZOWDQSYVCY-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001368407471 896005348 /nfs/dbraw/zinc/00/53/48/896005348.db2.gz VJXUZOWDQSYVCY-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001368407471 896005362 /nfs/dbraw/zinc/00/53/62/896005362.db2.gz VJXUZOWDQSYVCY-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001368531730 896028999 /nfs/dbraw/zinc/02/89/99/896028999.db2.gz ZIRJNQKGVSTQRB-UONOGXRCSA-N 2 1 299.415 -0.210 20 0 CBADMP CC(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001368531730 896029009 /nfs/dbraw/zinc/02/90/09/896029009.db2.gz ZIRJNQKGVSTQRB-UONOGXRCSA-N 2 1 299.415 -0.210 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001368549415 896032927 /nfs/dbraw/zinc/03/29/27/896032927.db2.gz NDYSOOIYFFKIEN-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001368548472 896032994 /nfs/dbraw/zinc/03/29/94/896032994.db2.gz GJBXRQADVMIASH-AAVRWANBSA-N 2 1 299.415 -0.164 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001368548472 896033003 /nfs/dbraw/zinc/03/30/03/896033003.db2.gz GJBXRQADVMIASH-AAVRWANBSA-N 2 1 299.415 -0.164 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001368551202 896036022 /nfs/dbraw/zinc/03/60/22/896036022.db2.gz ZGRUIVGDVVOXMA-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001368551202 896036028 /nfs/dbraw/zinc/03/60/28/896036028.db2.gz ZGRUIVGDVVOXMA-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001368551202 896036034 /nfs/dbraw/zinc/03/60/34/896036034.db2.gz ZGRUIVGDVVOXMA-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(CCC[N@@H+](C)CC(N)=O)C(=O)CC1CC[NH+](C)CC1 ZINC001368561170 896037048 /nfs/dbraw/zinc/03/70/48/896037048.db2.gz SYJJQJPUBRKJEY-UHFFFAOYSA-N 2 1 298.431 -0.016 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001368609088 896044407 /nfs/dbraw/zinc/04/44/07/896044407.db2.gz BYGRZQOMPTWEOW-TZMCWYRMSA-N 2 1 285.388 -0.984 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001368663833 896054847 /nfs/dbraw/zinc/05/48/47/896054847.db2.gz FLKGJCMWBGHELY-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CC(N)=O ZINC001368654081 896056204 /nfs/dbraw/zinc/05/62/04/896056204.db2.gz NQZBWRUPQJRRJC-NWDGAFQWSA-N 2 1 298.431 -0.114 20 0 CBADMP COCC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001368765495 896080155 /nfs/dbraw/zinc/08/01/55/896080155.db2.gz CVMSWVHOFOMRJS-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368797376 896084373 /nfs/dbraw/zinc/08/43/73/896084373.db2.gz NTWWJLDJXUTSPR-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368797376 896084389 /nfs/dbraw/zinc/08/43/89/896084389.db2.gz NTWWJLDJXUTSPR-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[NH+](CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O)C1CCC1 ZINC001368811046 896087187 /nfs/dbraw/zinc/08/71/87/896087187.db2.gz VUBMIOPRKPJWRW-CYBMUJFWSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O)C1CCC1 ZINC001368811046 896087198 /nfs/dbraw/zinc/08/71/98/896087198.db2.gz VUBMIOPRKPJWRW-CYBMUJFWSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001368811046 896087212 /nfs/dbraw/zinc/08/72/12/896087212.db2.gz VUBMIOPRKPJWRW-CYBMUJFWSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001368811046 896087223 /nfs/dbraw/zinc/08/72/23/896087223.db2.gz VUBMIOPRKPJWRW-CYBMUJFWSA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001368807815 896089724 /nfs/dbraw/zinc/08/97/24/896089724.db2.gz JFDQVKBIFKIUPB-WXRRBKDZSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CC(=O)N(C)C ZINC001368983612 896127917 /nfs/dbraw/zinc/12/79/17/896127917.db2.gz KULAVGAYGVQZLY-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CC(=O)N(C)C ZINC001368983612 896127921 /nfs/dbraw/zinc/12/79/21/896127921.db2.gz KULAVGAYGVQZLY-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CC(=O)N(C)C ZINC001368983612 896127925 /nfs/dbraw/zinc/12/79/25/896127925.db2.gz KULAVGAYGVQZLY-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CC(=O)N(C)C ZINC001368983612 896127926 /nfs/dbraw/zinc/12/79/26/896127926.db2.gz KULAVGAYGVQZLY-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CC(=O)N(C)C ZINC001368983617 896128170 /nfs/dbraw/zinc/12/81/70/896128170.db2.gz KULAVGAYGVQZLY-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CC(=O)N(C)C ZINC001368983617 896128177 /nfs/dbraw/zinc/12/81/77/896128177.db2.gz KULAVGAYGVQZLY-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CC(=O)N(C)C ZINC001368983617 896128182 /nfs/dbraw/zinc/12/81/82/896128182.db2.gz KULAVGAYGVQZLY-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CC(=O)N(C)C ZINC001368983617 896128186 /nfs/dbraw/zinc/12/81/86/896128186.db2.gz KULAVGAYGVQZLY-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)N(C)C ZINC001369012172 896136937 /nfs/dbraw/zinc/13/69/37/896136937.db2.gz YSJOSAAVXABBDS-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)N(C)C ZINC001369012172 896136941 /nfs/dbraw/zinc/13/69/41/896136941.db2.gz YSJOSAAVXABBDS-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)N(C)C ZINC001369012172 896136947 /nfs/dbraw/zinc/13/69/47/896136947.db2.gz YSJOSAAVXABBDS-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)N(C)C ZINC001369012172 896136954 /nfs/dbraw/zinc/13/69/54/896136954.db2.gz YSJOSAAVXABBDS-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@]2(C)C[N@H+](CC(N)=O)C[C@]2(C)C1 ZINC001369158775 896162477 /nfs/dbraw/zinc/16/24/77/896162477.db2.gz WBEPIJYKWGQGDQ-GASCZTMLSA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@]2(C)C[N@@H+](CC(N)=O)C[C@]2(C)C1 ZINC001369158775 896162484 /nfs/dbraw/zinc/16/24/84/896162484.db2.gz WBEPIJYKWGQGDQ-GASCZTMLSA-N 2 1 296.415 -0.406 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001369167414 896165211 /nfs/dbraw/zinc/16/52/11/896165211.db2.gz HEWLEWCFCFMSPG-FDYHWXHSSA-N 2 1 296.415 -0.301 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001369298256 896190244 /nfs/dbraw/zinc/19/02/44/896190244.db2.gz SKOSTFMRNQBKQB-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369312477 896203933 /nfs/dbraw/zinc/20/39/33/896203933.db2.gz ZUXICFUHZNKASH-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP Cc1oncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369389955 896254106 /nfs/dbraw/zinc/25/41/06/896254106.db2.gz YLUAQIPXLJTZKE-YPMHNXCESA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1oncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369389955 896254117 /nfs/dbraw/zinc/25/41/17/896254117.db2.gz YLUAQIPXLJTZKE-YPMHNXCESA-N 2 1 296.371 -0.499 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001369438793 896270964 /nfs/dbraw/zinc/27/09/64/896270964.db2.gz CYSIXXWWJMYPDR-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP COC[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001369479452 896292117 /nfs/dbraw/zinc/29/21/17/896292117.db2.gz DXEYTOSCSKPPLP-YPMHNXCESA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001369866811 896354962 /nfs/dbraw/zinc/35/49/62/896354962.db2.gz BXUODSYRNGDTFJ-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001370042144 896394835 /nfs/dbraw/zinc/39/48/35/896394835.db2.gz QTYUWRSFBDIJIH-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC001370042144 896394848 /nfs/dbraw/zinc/39/48/48/896394848.db2.gz QTYUWRSFBDIJIH-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001370042144 896394862 /nfs/dbraw/zinc/39/48/62/896394862.db2.gz QTYUWRSFBDIJIH-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001370219928 896410213 /nfs/dbraw/zinc/41/02/13/896410213.db2.gz CLUWGTGTELALRG-YPMHNXCESA-N 2 1 296.415 -0.441 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001370219916 896410484 /nfs/dbraw/zinc/41/04/84/896410484.db2.gz CLUWGTGTELALRG-DGCLKSJQSA-N 2 1 296.415 -0.441 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001370392016 896423061 /nfs/dbraw/zinc/42/30/61/896423061.db2.gz JIYGBJPHAUPCJE-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001370614055 896447317 /nfs/dbraw/zinc/44/73/17/896447317.db2.gz PKQSGWVLOHQLDO-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001370709714 896484733 /nfs/dbraw/zinc/48/47/33/896484733.db2.gz CRRNKDOGSQBUAX-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001370772785 896494888 /nfs/dbraw/zinc/49/48/88/896494888.db2.gz JOZZKTSQXPBZON-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001370780039 896496489 /nfs/dbraw/zinc/49/64/89/896496489.db2.gz GQWBZBZKLZUYTQ-AWEZNQCLSA-N 2 1 299.415 -0.471 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001370780039 896496494 /nfs/dbraw/zinc/49/64/94/896496494.db2.gz GQWBZBZKLZUYTQ-AWEZNQCLSA-N 2 1 299.415 -0.471 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001370780966 896499098 /nfs/dbraw/zinc/49/90/98/896499098.db2.gz IFJKMTGHTJGUMM-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001370780966 896499106 /nfs/dbraw/zinc/49/91/06/896499106.db2.gz IFJKMTGHTJGUMM-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001370780966 896499112 /nfs/dbraw/zinc/49/91/12/896499112.db2.gz IFJKMTGHTJGUMM-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001370780966 896499118 /nfs/dbraw/zinc/49/91/18/896499118.db2.gz IFJKMTGHTJGUMM-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](CC(=O)NC)C1 ZINC001370786662 896499133 /nfs/dbraw/zinc/49/91/33/896499133.db2.gz UDPLCWVAKNGMKC-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001370786662 896499142 /nfs/dbraw/zinc/49/91/42/896499142.db2.gz UDPLCWVAKNGMKC-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001370786662 896499146 /nfs/dbraw/zinc/49/91/46/896499146.db2.gz UDPLCWVAKNGMKC-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP 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 896533936 /nfs/dbraw/zinc/53/39/36/896533936.db2.gz PFLJOHIYNKJBBE-MLGHIDQZSA-N 2 1 294.399 -0.739 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCCC1 ZINC001371144863 896555014 /nfs/dbraw/zinc/55/50/14/896555014.db2.gz WWLSNOQVWXRLTI-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001371138719 896557234 /nfs/dbraw/zinc/55/72/34/896557234.db2.gz IRZALBCASIIOBF-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001371424408 896609887 /nfs/dbraw/zinc/60/98/87/896609887.db2.gz IBJIYAPOZZHYQM-QWRGUYRKSA-N 2 1 272.393 -0.443 20 0 CBADMP CCn1ncnc1C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001371475375 896618554 /nfs/dbraw/zinc/61/85/54/896618554.db2.gz RZHZBBUOJKHAQJ-NEPJUHHUSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncnc1C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001371475375 896618561 /nfs/dbraw/zinc/61/85/61/896618561.db2.gz RZHZBBUOJKHAQJ-NEPJUHHUSA-N 2 1 294.403 -0.156 20 0 CBADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH2+]CC(N)=O ZINC001371474237 896619775 /nfs/dbraw/zinc/61/97/75/896619775.db2.gz MHRDYVZSCVSQFT-SMDDNHRTSA-N 2 1 292.383 -0.131 20 0 CBADMP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH2+]CC(N)=O ZINC001371474236 896620096 /nfs/dbraw/zinc/62/00/96/896620096.db2.gz MHRDYVZSCVSQFT-RISCZKNCSA-N 2 1 292.383 -0.131 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001371876344 896672647 /nfs/dbraw/zinc/67/26/47/896672647.db2.gz HROISEVUYMYQGM-VXGBXAGGSA-N 2 1 296.415 -0.299 20 0 CBADMP CN1CC[C@H]([N@H+](C)CCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001371997709 896703071 /nfs/dbraw/zinc/70/30/71/896703071.db2.gz KVDKYVDBXWLOCO-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001371997709 896703088 /nfs/dbraw/zinc/70/30/88/896703088.db2.gz KVDKYVDBXWLOCO-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP COC[C@H](O)C[N@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001372045254 896715662 /nfs/dbraw/zinc/71/56/62/896715662.db2.gz NJMWAQMIMLYBKP-GFCCVEGCSA-N 2 1 284.360 -0.753 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001372045254 896715670 /nfs/dbraw/zinc/71/56/70/896715670.db2.gz NJMWAQMIMLYBKP-GFCCVEGCSA-N 2 1 284.360 -0.753 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001372157994 896737040 /nfs/dbraw/zinc/73/70/40/896737040.db2.gz LDINWNFGTGKGJG-NSHDSACASA-N 2 1 272.393 -0.537 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001372157994 896737050 /nfs/dbraw/zinc/73/70/50/896737050.db2.gz LDINWNFGTGKGJG-NSHDSACASA-N 2 1 272.393 -0.537 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@H](C)C(=O)N(C)C ZINC001372177772 896740213 /nfs/dbraw/zinc/74/02/13/896740213.db2.gz GOIFJIVHKZUUMF-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@H](C)C(=O)N(C)C ZINC001372177772 896740219 /nfs/dbraw/zinc/74/02/19/896740219.db2.gz GOIFJIVHKZUUMF-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001372177772 896740225 /nfs/dbraw/zinc/74/02/25/896740225.db2.gz GOIFJIVHKZUUMF-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001372177772 896740231 /nfs/dbraw/zinc/74/02/31/896740231.db2.gz GOIFJIVHKZUUMF-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@@H](C)C(=O)N(C)C ZINC001372177777 896740869 /nfs/dbraw/zinc/74/08/69/896740869.db2.gz GOIFJIVHKZUUMF-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@@H](C)C(=O)N(C)C ZINC001372177777 896740874 /nfs/dbraw/zinc/74/08/74/896740874.db2.gz GOIFJIVHKZUUMF-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001372177777 896740879 /nfs/dbraw/zinc/74/08/79/896740879.db2.gz GOIFJIVHKZUUMF-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001372177777 896740882 /nfs/dbraw/zinc/74/08/82/896740882.db2.gz GOIFJIVHKZUUMF-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@H]1CCN(CC)C1=O)[NH+](C)C ZINC001372190700 896744662 /nfs/dbraw/zinc/74/46/62/896744662.db2.gz PPGYTVGHMBUJNT-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@H]1CCN(CC)C1=O)[NH+](C)C ZINC001372190700 896744679 /nfs/dbraw/zinc/74/46/79/896744679.db2.gz PPGYTVGHMBUJNT-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCN1CCNC1=O ZINC001372218694 896749616 /nfs/dbraw/zinc/74/96/16/896749616.db2.gz KHPBIIHLFSBFIV-GFCCVEGCSA-N 2 1 297.403 -0.989 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCN1CCNC1=O ZINC001372218694 896749624 /nfs/dbraw/zinc/74/96/24/896749624.db2.gz KHPBIIHLFSBFIV-GFCCVEGCSA-N 2 1 297.403 -0.989 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001372267346 896760335 /nfs/dbraw/zinc/76/03/35/896760335.db2.gz NKXBAUPMDSTFQI-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001372651029 896831194 /nfs/dbraw/zinc/83/11/94/896831194.db2.gz NILDHDWBYXLZDX-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001372953824 896911478 /nfs/dbraw/zinc/91/14/78/896911478.db2.gz ZPMOVPBNQRPVLN-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(N)=O ZINC001372946263 896911810 /nfs/dbraw/zinc/91/18/10/896911810.db2.gz MCBAMLRDFIJLAF-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001372950321 896911906 /nfs/dbraw/zinc/91/19/06/896911906.db2.gz MAUJPKFBIKCNCE-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001372953828 896913271 /nfs/dbraw/zinc/91/32/71/896913271.db2.gz ZPMOVPBNQRPVLN-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(N)=O ZINC001373079489 896938213 /nfs/dbraw/zinc/93/82/13/896938213.db2.gz HLXAHIJKMDRSJQ-RWMBFGLXSA-N 2 1 296.415 -0.123 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[C@H]2CC[NH+](CCCO)C2)C1 ZINC001373157863 896951736 /nfs/dbraw/zinc/95/17/36/896951736.db2.gz WRUGXZBXBKHVMH-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[C@H]2CC[NH+](CCCO)C2)C1 ZINC001373157863 896951746 /nfs/dbraw/zinc/95/17/46/896951746.db2.gz WRUGXZBXBKHVMH-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCC[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001373157863 896951752 /nfs/dbraw/zinc/95/17/52/896951752.db2.gz WRUGXZBXBKHVMH-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCC[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001373157863 896951756 /nfs/dbraw/zinc/95/17/56/896951756.db2.gz WRUGXZBXBKHVMH-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373531639 897043268 /nfs/dbraw/zinc/04/32/68/897043268.db2.gz JSZLGVCHGXYYCZ-QWHCGFSZSA-N 2 1 298.431 -0.116 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001373536100 897046366 /nfs/dbraw/zinc/04/63/66/897046366.db2.gz DQJFJNYITCFKTA-YPMHNXCESA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001373536100 897046382 /nfs/dbraw/zinc/04/63/82/897046382.db2.gz DQJFJNYITCFKTA-YPMHNXCESA-N 2 1 296.415 -0.360 20 0 CBADMP CN1CCC[C@H]([N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001373600230 897065179 /nfs/dbraw/zinc/06/51/79/897065179.db2.gz CKGOAIFJRDDWCS-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001373607601 897072697 /nfs/dbraw/zinc/07/26/97/897072697.db2.gz VQVQYMOKRQUSGS-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001373679568 897096722 /nfs/dbraw/zinc/09/67/22/897096722.db2.gz TWHAZZLERISJSE-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001373679568 897096733 /nfs/dbraw/zinc/09/67/33/897096733.db2.gz TWHAZZLERISJSE-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001373679568 897096748 /nfs/dbraw/zinc/09/67/48/897096748.db2.gz TWHAZZLERISJSE-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001373707017 897100203 /nfs/dbraw/zinc/10/02/03/897100203.db2.gz FSYLWDUSIHINAK-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N(CC)[C@H]1CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001373711341 897106261 /nfs/dbraw/zinc/10/62/61/897106261.db2.gz FSYLWDUSIHINAK-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001373711341 897106266 /nfs/dbraw/zinc/10/62/66/897106266.db2.gz FSYLWDUSIHINAK-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001373834671 897129571 /nfs/dbraw/zinc/12/95/71/897129571.db2.gz XIKYKGPAGRWLIZ-WDEREUQCSA-N 2 1 295.391 -0.854 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001373834671 897129576 /nfs/dbraw/zinc/12/95/76/897129576.db2.gz XIKYKGPAGRWLIZ-WDEREUQCSA-N 2 1 295.391 -0.854 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001373848996 897134213 /nfs/dbraw/zinc/13/42/13/897134213.db2.gz JBZALSQUQBZQQJ-UHFFFAOYSA-N 2 1 293.371 -0.305 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374027325 897158491 /nfs/dbraw/zinc/15/84/91/897158491.db2.gz ZMEZQJCSKLPMLN-IJLUTSLNSA-N 2 1 284.404 -0.586 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001374271982 897199857 /nfs/dbraw/zinc/19/98/57/897199857.db2.gz RTJFJUCQAYYUDH-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001374271406 897200564 /nfs/dbraw/zinc/20/05/64/897200564.db2.gz NBWRIZAGAHNSJW-FRRDWIJNSA-N 2 1 287.404 -0.476 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374282462 897205681 /nfs/dbraw/zinc/20/56/81/897205681.db2.gz PTTYIRZMQZDGEQ-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374312904 897211189 /nfs/dbraw/zinc/21/11/89/897211189.db2.gz MTEXBRJSQIPIIK-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001374529065 897247989 /nfs/dbraw/zinc/24/79/89/897247989.db2.gz IOXCXCZHPHNDKZ-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001374529065 897248007 /nfs/dbraw/zinc/24/80/07/897248007.db2.gz IOXCXCZHPHNDKZ-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001374529068 897251287 /nfs/dbraw/zinc/25/12/87/897251287.db2.gz IOXCXCZHPHNDKZ-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001374529068 897251305 /nfs/dbraw/zinc/25/13/05/897251305.db2.gz IOXCXCZHPHNDKZ-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001374553813 897254808 /nfs/dbraw/zinc/25/48/08/897254808.db2.gz BJFIMYVPPORYNM-GFCCVEGCSA-N 2 1 284.404 -0.584 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001374553813 897254821 /nfs/dbraw/zinc/25/48/21/897254821.db2.gz BJFIMYVPPORYNM-GFCCVEGCSA-N 2 1 284.404 -0.584 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374553813 897254834 /nfs/dbraw/zinc/25/48/34/897254834.db2.gz BJFIMYVPPORYNM-GFCCVEGCSA-N 2 1 284.404 -0.584 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374553813 897254850 /nfs/dbraw/zinc/25/48/50/897254850.db2.gz BJFIMYVPPORYNM-GFCCVEGCSA-N 2 1 284.404 -0.584 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(N)=O)C1 ZINC001374562374 897260240 /nfs/dbraw/zinc/26/02/40/897260240.db2.gz PENRHZSJQNVBGK-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001374576455 897269144 /nfs/dbraw/zinc/26/91/44/897269144.db2.gz UNXZMFXPFMBWOZ-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)co1 ZINC001374639974 897320110 /nfs/dbraw/zinc/32/01/10/897320110.db2.gz DUUVOFIQESVLPK-LBPRGKRZSA-N 2 1 284.360 -0.499 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001374636132 897323138 /nfs/dbraw/zinc/32/31/38/897323138.db2.gz XUJLOFAVTIJHRT-UONOGXRCSA-N 2 1 299.415 -0.426 20 0 CBADMP Cc1conc1C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001374641662 897326990 /nfs/dbraw/zinc/32/69/90/897326990.db2.gz KBSQGNJFRRNFHK-NSHDSACASA-N 2 1 284.360 -0.499 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001374668186 897339247 /nfs/dbraw/zinc/33/92/47/897339247.db2.gz FCAFRCJEXGBVGV-DGCLKSJQSA-N 2 1 296.371 -0.417 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001374668186 897339257 /nfs/dbraw/zinc/33/92/57/897339257.db2.gz FCAFRCJEXGBVGV-DGCLKSJQSA-N 2 1 296.371 -0.417 20 0 CBADMP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)co1 ZINC001374679036 897340666 /nfs/dbraw/zinc/34/06/66/897340666.db2.gz WDMMHXVQGQAISV-DGCLKSJQSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)co1 ZINC001374679036 897340683 /nfs/dbraw/zinc/34/06/83/897340683.db2.gz WDMMHXVQGQAISV-DGCLKSJQSA-N 2 1 296.371 -0.499 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)Cn1cc[nH+]c1C ZINC001374723104 897357501 /nfs/dbraw/zinc/35/75/01/897357501.db2.gz LOMZARSJGFJVEB-SNVBAGLBSA-N 2 1 281.360 -0.497 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CN(C(=O)C[NH+](CC)CC)C1 ZINC001374731253 897358987 /nfs/dbraw/zinc/35/89/87/897358987.db2.gz ZVHRIRPTCOYQMN-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001374774197 897383836 /nfs/dbraw/zinc/38/38/36/897383836.db2.gz DOODHAQYSLWDPH-UPJWGTAASA-N 2 1 287.404 -0.428 20 0 CBADMP CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001374810528 897398483 /nfs/dbraw/zinc/39/84/83/897398483.db2.gz DAMGXILOVNWBBJ-LLVKDONJSA-N 2 1 282.392 -0.156 20 0 CBADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001374890257 897424670 /nfs/dbraw/zinc/42/46/70/897424670.db2.gz SCDRTFAFRBBZTM-QWRGUYRKSA-N 2 1 295.387 -0.024 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001374921759 897435144 /nfs/dbraw/zinc/43/51/44/897435144.db2.gz IFXDJXBHUYYLNR-HBNTYKKESA-N 2 1 270.377 -0.691 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374963013 897443794 /nfs/dbraw/zinc/44/37/94/897443794.db2.gz ZRJJURWAAUNCPL-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374976087 897446365 /nfs/dbraw/zinc/44/63/65/897446365.db2.gz DUJWJUYEBPJRNJ-QWRGUYRKSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374976087 897446372 /nfs/dbraw/zinc/44/63/72/897446372.db2.gz DUJWJUYEBPJRNJ-QWRGUYRKSA-N 2 1 280.376 -0.639 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H]1CCN(C)C1=O ZINC001375144644 897481114 /nfs/dbraw/zinc/48/11/14/897481114.db2.gz BPAAXLUTBPZLOR-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001375144644 897481123 /nfs/dbraw/zinc/48/11/23/897481123.db2.gz BPAAXLUTBPZLOR-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001375144644 897481131 /nfs/dbraw/zinc/48/11/31/897481131.db2.gz BPAAXLUTBPZLOR-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH+](CCO)CCO)C2)C1 ZINC001375624101 897576908 /nfs/dbraw/zinc/57/69/08/897576908.db2.gz XGEQNNYWALHSBG-KBPBESRZSA-N 2 1 299.415 -0.784 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001375781760 897607209 /nfs/dbraw/zinc/60/72/09/897607209.db2.gz ZEGLIAONKJEYCZ-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001375781760 897607198 /nfs/dbraw/zinc/60/71/98/897607198.db2.gz ZEGLIAONKJEYCZ-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001375835396 897616783 /nfs/dbraw/zinc/61/67/83/897616783.db2.gz GWTMPECIIXWKSA-WFASDCNBSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001375835396 897616789 /nfs/dbraw/zinc/61/67/89/897616789.db2.gz GWTMPECIIXWKSA-WFASDCNBSA-N 2 1 296.415 -0.203 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001376053586 897640281 /nfs/dbraw/zinc/64/02/81/897640281.db2.gz NLHKSGSFIBIIGN-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001376053586 897640290 /nfs/dbraw/zinc/64/02/90/897640290.db2.gz NLHKSGSFIBIIGN-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001376053586 897640298 /nfs/dbraw/zinc/64/02/98/897640298.db2.gz NLHKSGSFIBIIGN-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001376076868 897648699 /nfs/dbraw/zinc/64/86/99/897648699.db2.gz YQNMZOYODORUCW-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001376076868 897648705 /nfs/dbraw/zinc/64/87/05/897648705.db2.gz YQNMZOYODORUCW-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001376076872 897650335 /nfs/dbraw/zinc/65/03/35/897650335.db2.gz YQNMZOYODORUCW-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001376076872 897650340 /nfs/dbraw/zinc/65/03/40/897650340.db2.gz YQNMZOYODORUCW-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCN(CC(=O)NC2CC2)C1 ZINC001376157337 897674802 /nfs/dbraw/zinc/67/48/02/897674802.db2.gz XZVIHPXXVKFQAS-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001376232154 897693739 /nfs/dbraw/zinc/69/37/39/897693739.db2.gz MDOCAESQIKDCPA-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376334921 897713843 /nfs/dbraw/zinc/71/38/43/897713843.db2.gz BFIHCTXDWLXBGL-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001376377995 897723788 /nfs/dbraw/zinc/72/37/88/897723788.db2.gz UHANCAGGYSLMJB-AAVRWANBSA-N 2 1 299.415 -0.285 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376408375 897725717 /nfs/dbraw/zinc/72/57/17/897725717.db2.gz NMPWSYZSBYJULB-IJLUTSLNSA-N 2 1 282.388 -0.689 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001376400184 897726854 /nfs/dbraw/zinc/72/68/54/897726854.db2.gz ONVMMMUJIDEKQK-IHRRRGAJSA-N 2 1 299.415 -0.020 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001376400188 897728104 /nfs/dbraw/zinc/72/81/04/897728104.db2.gz ONVMMMUJIDEKQK-MGPQQGTHSA-N 2 1 299.415 -0.020 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001376469499 897749660 /nfs/dbraw/zinc/74/96/60/897749660.db2.gz NBGZWIOLINDHFG-RVMXOQNASA-N 2 1 296.415 -0.158 20 0 CBADMP CCn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001376481724 897753939 /nfs/dbraw/zinc/75/39/39/897753939.db2.gz XRIMKENYXDECLZ-TXEJJXNPSA-N 2 1 294.403 -0.014 20 0 CBADMP CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376503682 897760196 /nfs/dbraw/zinc/76/01/96/897760196.db2.gz RZJUGWOETVIYBM-RWMBFGLXSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001376512597 897763126 /nfs/dbraw/zinc/76/31/26/897763126.db2.gz OBTIGVFHOMMPTD-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001376512593 897764170 /nfs/dbraw/zinc/76/41/70/897764170.db2.gz OBTIGVFHOMMPTD-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376557011 897777208 /nfs/dbraw/zinc/77/72/08/897777208.db2.gz LPXUZDZUXFJIJV-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001376631322 897785987 /nfs/dbraw/zinc/78/59/87/897785987.db2.gz WCOLXCGPWWEFKR-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)N1CCC1 ZINC001376727985 897826061 /nfs/dbraw/zinc/82/60/61/897826061.db2.gz DQOOFDWMBXDETO-YNEHKIRRSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ncnn1C ZINC001376735719 897828988 /nfs/dbraw/zinc/82/89/88/897828988.db2.gz BFRXBXCGBGDRST-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ncnn1C ZINC001376735719 897828995 /nfs/dbraw/zinc/82/89/95/897828995.db2.gz BFRXBXCGBGDRST-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](O)C[NH2+][C@@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001376750696 897832933 /nfs/dbraw/zinc/83/29/33/897832933.db2.gz FWVOTEPNDJPVLY-UWVGGRQHSA-N 2 1 284.360 -0.175 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001376801020 897848893 /nfs/dbraw/zinc/84/88/93/897848893.db2.gz MHJPDMHLQDTLSC-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001376851514 897868871 /nfs/dbraw/zinc/86/88/71/897868871.db2.gz DKNLWXJTRBCBFQ-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001376851514 897868874 /nfs/dbraw/zinc/86/88/74/897868874.db2.gz DKNLWXJTRBCBFQ-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001376852404 897870698 /nfs/dbraw/zinc/87/06/98/897870698.db2.gz FQEJYIXBXOQMLV-GHMZBOCLSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001376852404 897870709 /nfs/dbraw/zinc/87/07/09/897870709.db2.gz FQEJYIXBXOQMLV-GHMZBOCLSA-N 2 1 295.391 -0.854 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001376899274 897884753 /nfs/dbraw/zinc/88/47/53/897884753.db2.gz ILJNFAVNOOHQRS-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376907653 897887606 /nfs/dbraw/zinc/88/76/06/897887606.db2.gz FDFHMFRANAYWIZ-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CCC[N@H+](C)CCCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001376919409 897891451 /nfs/dbraw/zinc/89/14/51/897891451.db2.gz FMHKJBYUAVVLKX-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP CN(CCC[N@@H+](C)CCCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001376919409 897891460 /nfs/dbraw/zinc/89/14/60/897891460.db2.gz FMHKJBYUAVVLKX-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP CN(CCC[NH+](C)CCCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001376919409 897891473 /nfs/dbraw/zinc/89/14/73/897891473.db2.gz FMHKJBYUAVVLKX-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP CN(CCC[NH+](C)CCCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001376919409 897891486 /nfs/dbraw/zinc/89/14/86/897891486.db2.gz FMHKJBYUAVVLKX-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001376944978 897902319 /nfs/dbraw/zinc/90/23/19/897902319.db2.gz BEICXNNWUAKIFE-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)C ZINC001377025152 897915395 /nfs/dbraw/zinc/91/53/95/897915395.db2.gz PWZSRUJWLISVQQ-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001377231853 897977595 /nfs/dbraw/zinc/97/75/95/897977595.db2.gz VNVXHRZTLZNKEV-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@H](O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001377231853 897977605 /nfs/dbraw/zinc/97/76/05/897977605.db2.gz VNVXHRZTLZNKEV-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@H](O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001377231853 897977616 /nfs/dbraw/zinc/97/76/16/897977616.db2.gz VNVXHRZTLZNKEV-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001377268049 897992973 /nfs/dbraw/zinc/99/29/73/897992973.db2.gz ZZSAHIDMPIFSJE-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001377268049 897992980 /nfs/dbraw/zinc/99/29/80/897992980.db2.gz ZZSAHIDMPIFSJE-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](CC)[C@H](C)C(N)=O)[NH+](C)C ZINC001377336601 898014801 /nfs/dbraw/zinc/01/48/01/898014801.db2.gz NLDZIZWFRSYWRL-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](CC)[C@H](C)C(N)=O)[NH+](C)C ZINC001377336601 898014817 /nfs/dbraw/zinc/01/48/17/898014817.db2.gz NLDZIZWFRSYWRL-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001377340797 898015006 /nfs/dbraw/zinc/01/50/06/898015006.db2.gz HQSPRUOLMJVECO-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCNC1=O ZINC001377340797 898015026 /nfs/dbraw/zinc/01/50/26/898015026.db2.gz HQSPRUOLMJVECO-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCNC1=O ZINC001377340797 898015036 /nfs/dbraw/zinc/01/50/36/898015036.db2.gz HQSPRUOLMJVECO-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001377359055 898019354 /nfs/dbraw/zinc/01/93/54/898019354.db2.gz ZPYRCWFHLXLVDH-OLZOCXBDSA-N 2 1 299.415 -0.738 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC ZINC001377366731 898023953 /nfs/dbraw/zinc/02/39/53/898023953.db2.gz UHDUNEWAKKGLET-LLVKDONJSA-N 2 1 270.377 -0.878 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC ZINC001377366731 898023961 /nfs/dbraw/zinc/02/39/61/898023961.db2.gz UHDUNEWAKKGLET-LLVKDONJSA-N 2 1 270.377 -0.878 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NC ZINC001377366731 898023972 /nfs/dbraw/zinc/02/39/72/898023972.db2.gz UHDUNEWAKKGLET-LLVKDONJSA-N 2 1 270.377 -0.878 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NC ZINC001377366731 898023979 /nfs/dbraw/zinc/02/39/79/898023979.db2.gz UHDUNEWAKKGLET-LLVKDONJSA-N 2 1 270.377 -0.878 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001377406379 898034706 /nfs/dbraw/zinc/03/47/06/898034706.db2.gz WGUZOEUMHIRJPK-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001377406379 898034717 /nfs/dbraw/zinc/03/47/17/898034717.db2.gz WGUZOEUMHIRJPK-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001377458776 898055461 /nfs/dbraw/zinc/05/54/61/898055461.db2.gz ZTKYMJNHOSVTFU-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP CCC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@H](C)C(N)=O ZINC001377499514 898067053 /nfs/dbraw/zinc/06/70/53/898067053.db2.gz DTWINKNLPZSVSZ-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001377713440 898121324 /nfs/dbraw/zinc/12/13/24/898121324.db2.gz XTSYKAMZOMGCLL-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(C)C(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001377710002 898121609 /nfs/dbraw/zinc/12/16/09/898121609.db2.gz FSLIKDAAAFYLGC-WXRRBKDZSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH2+]CC1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001377734112 898125990 /nfs/dbraw/zinc/12/59/90/898125990.db2.gz QSTUUSGOAZCMEQ-UHFFFAOYSA-N 2 1 284.404 -0.443 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001377811756 898142960 /nfs/dbraw/zinc/14/29/60/898142960.db2.gz VYTSFSXNPFMXLI-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001377811756 898142967 /nfs/dbraw/zinc/14/29/67/898142967.db2.gz VYTSFSXNPFMXLI-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001377811756 898142974 /nfs/dbraw/zinc/14/29/74/898142974.db2.gz VYTSFSXNPFMXLI-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001377840348 898148213 /nfs/dbraw/zinc/14/82/13/898148213.db2.gz OWCSWCWRHPHFGO-QWRGUYRKSA-N 2 1 297.407 -0.465 20 0 CBADMP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001377918378 898167695 /nfs/dbraw/zinc/16/76/95/898167695.db2.gz WHYDGEJNSLHFHB-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001377918369 898168003 /nfs/dbraw/zinc/16/80/03/898168003.db2.gz WHYDGEJNSLHFHB-NEPJUHHUSA-N 2 1 294.403 -0.106 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001377979141 898185959 /nfs/dbraw/zinc/18/59/59/898185959.db2.gz QEMGQOVYAVUXKC-UONOGXRCSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001454575474 914231208 /nfs/dbraw/zinc/23/12/08/914231208.db2.gz GDYRTCBTNWHNFA-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001378058646 898218720 /nfs/dbraw/zinc/21/87/20/898218720.db2.gz GHJLMWPFEFPNBT-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001378058646 898218736 /nfs/dbraw/zinc/21/87/36/898218736.db2.gz GHJLMWPFEFPNBT-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001378058646 898218753 /nfs/dbraw/zinc/21/87/53/898218753.db2.gz GHJLMWPFEFPNBT-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001378058646 898218768 /nfs/dbraw/zinc/21/87/68/898218768.db2.gz GHJLMWPFEFPNBT-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](CC)C(N)=O)C1)[NH+](C)C ZINC001378111187 898239504 /nfs/dbraw/zinc/23/95/04/898239504.db2.gz GUWXGNXPPHKEIW-GRYCIOLGSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](CC)C(N)=O)C1)[NH+](C)C ZINC001378111187 898239520 /nfs/dbraw/zinc/23/95/20/898239520.db2.gz GUWXGNXPPHKEIW-GRYCIOLGSA-N 2 1 284.404 -0.219 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001378122047 898244278 /nfs/dbraw/zinc/24/42/78/898244278.db2.gz YXDZBOKVZJVBRY-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CCN1CCNC1=O ZINC001378121511 898248226 /nfs/dbraw/zinc/24/82/26/898248226.db2.gz ISDVEPDTEHNXFX-LBPRGKRZSA-N 2 1 299.419 -0.600 20 0 CBADMP CNC(=O)CN1CC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001378148929 898255809 /nfs/dbraw/zinc/25/58/09/898255809.db2.gz MRJMJFIFDUIOJC-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001378148929 898255839 /nfs/dbraw/zinc/25/58/39/898255839.db2.gz MRJMJFIFDUIOJC-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001378148929 898255857 /nfs/dbraw/zinc/25/58/57/898255857.db2.gz MRJMJFIFDUIOJC-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001378148929 898255871 /nfs/dbraw/zinc/25/58/71/898255871.db2.gz MRJMJFIFDUIOJC-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378165890 898258248 /nfs/dbraw/zinc/25/82/48/898258248.db2.gz NRGNYQNJCJKJAR-MNOVXSKESA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378165890 898258260 /nfs/dbraw/zinc/25/82/60/898258260.db2.gz NRGNYQNJCJKJAR-MNOVXSKESA-N 2 1 270.377 -0.655 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378162590 898261797 /nfs/dbraw/zinc/26/17/97/898261797.db2.gz CJIGFMRJXXDWCC-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)[C@H]1CCNC1=O ZINC001378218376 898280582 /nfs/dbraw/zinc/28/05/82/898280582.db2.gz FYKFSLWETQVLQZ-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@H](C)C(N)=O ZINC001378336615 898316978 /nfs/dbraw/zinc/31/69/78/898316978.db2.gz HXWZWMBBUCTCGY-MNOVXSKESA-N 2 1 272.393 -0.315 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)CC[N@H+]1C ZINC001378394264 898328810 /nfs/dbraw/zinc/32/88/10/898328810.db2.gz CJGCWGZNRWLEEU-HCKVZZMMSA-N 2 1 296.415 -0.314 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CC(N)=O)CCCCC2)C1 ZINC001378417393 898329936 /nfs/dbraw/zinc/32/99/36/898329936.db2.gz PKDKFUVGKGRYCL-GFCCVEGCSA-N 2 1 296.415 -0.168 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001378548334 898352646 /nfs/dbraw/zinc/35/26/46/898352646.db2.gz DTVYZDWYUABLHE-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001378580079 898360582 /nfs/dbraw/zinc/36/05/82/898360582.db2.gz VNRDAXGPOUTJME-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001378580079 898360594 /nfs/dbraw/zinc/36/05/94/898360594.db2.gz VNRDAXGPOUTJME-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378646154 898379090 /nfs/dbraw/zinc/37/90/90/898379090.db2.gz MWPKZHSLJUBSLZ-NWDGAFQWSA-N 2 1 284.404 -0.584 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001378652076 898381176 /nfs/dbraw/zinc/38/11/76/898381176.db2.gz UNBGTDDPDJOFHV-MNOVXSKESA-N 2 1 295.387 -0.332 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CC1(C)C ZINC001378651952 898383947 /nfs/dbraw/zinc/38/39/47/898383947.db2.gz JCJLDSYTRBXQJF-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[N@H+]([C@@H]2CCNC2=O)CC1(C)C ZINC001378651952 898383953 /nfs/dbraw/zinc/38/39/53/898383953.db2.gz JCJLDSYTRBXQJF-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001378701524 898395142 /nfs/dbraw/zinc/39/51/42/898395142.db2.gz SBPLMYBOQIRQEP-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnon1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001378851284 898422237 /nfs/dbraw/zinc/42/22/37/898422237.db2.gz ITVFZJBDNRQHGZ-WDEREUQCSA-N 2 1 281.360 -0.042 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnon1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378851284 898422243 /nfs/dbraw/zinc/42/22/43/898422243.db2.gz ITVFZJBDNRQHGZ-WDEREUQCSA-N 2 1 281.360 -0.042 20 0 CBADMP C[C@H](C[NH2+]Cc1cnon1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001378851277 898423061 /nfs/dbraw/zinc/42/30/61/898423061.db2.gz ITVFZJBDNRQHGZ-GHMZBOCLSA-N 2 1 281.360 -0.042 20 0 CBADMP C[C@H](C[NH2+]Cc1cnon1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378851277 898423068 /nfs/dbraw/zinc/42/30/68/898423068.db2.gz ITVFZJBDNRQHGZ-GHMZBOCLSA-N 2 1 281.360 -0.042 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)C[NH+]1CCCC1 ZINC001378852434 898424047 /nfs/dbraw/zinc/42/40/47/898424047.db2.gz LUSVRVZFNLHIKG-LLVKDONJSA-N 2 1 295.391 -0.758 20 0 CBADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001378841678 898424746 /nfs/dbraw/zinc/42/47/46/898424746.db2.gz QHMJHKSYRRCBGW-CYDGBPFRSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001454740237 914253852 /nfs/dbraw/zinc/25/38/52/914253852.db2.gz OGEJWZOIKFNUBK-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001379100266 898466015 /nfs/dbraw/zinc/46/60/15/898466015.db2.gz GBMWYBVNEBYXLF-QWRGUYRKSA-N 2 1 295.391 -0.759 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001379100266 898466022 /nfs/dbraw/zinc/46/60/22/898466022.db2.gz GBMWYBVNEBYXLF-QWRGUYRKSA-N 2 1 295.391 -0.759 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001379193896 898496194 /nfs/dbraw/zinc/49/61/94/898496194.db2.gz KBVBYNHFXBCFGB-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)on1 ZINC001379227979 898512345 /nfs/dbraw/zinc/51/23/45/898512345.db2.gz MSZNZVUSABHSJP-DGCLKSJQSA-N 2 1 296.371 -0.356 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnns2)C1 ZINC001379280504 898535902 /nfs/dbraw/zinc/53/59/02/898535902.db2.gz DGJALRQPOLEUGU-NXEZZACHSA-N 2 1 299.400 -0.944 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cncs1 ZINC001379369200 898586129 /nfs/dbraw/zinc/58/61/29/898586129.db2.gz JBDFTFFFXHEGPL-CMPLNLGQSA-N 2 1 298.412 -0.196 20 0 CBADMP CCC[NH2+][C@H](CO)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001379428009 898610062 /nfs/dbraw/zinc/61/00/62/898610062.db2.gz BESWJBAYHDFXGH-JTQLQIEISA-N 2 1 284.360 -0.174 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccns1 ZINC001379458425 898622096 /nfs/dbraw/zinc/62/20/96/898622096.db2.gz BDFQASMUXJJSBA-ZYHUDNBSSA-N 2 1 298.412 -0.196 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccns1 ZINC001379458425 898622105 /nfs/dbraw/zinc/62/21/05/898622105.db2.gz BDFQASMUXJJSBA-ZYHUDNBSSA-N 2 1 298.412 -0.196 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001379475342 898627905 /nfs/dbraw/zinc/62/79/05/898627905.db2.gz GTBHQHFJEZTOBL-YPMHNXCESA-N 2 1 298.387 -0.110 20 0 CBADMP C[C@@H](C[NH2+]CC1CCOCC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379494462 898639267 /nfs/dbraw/zinc/63/92/67/898639267.db2.gz YDMZZIBAOKATMN-GXTWGEPZSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H](C[NH2+]CC1CCOCC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379494462 898639272 /nfs/dbraw/zinc/63/92/72/898639272.db2.gz YDMZZIBAOKATMN-GXTWGEPZSA-N 2 1 299.415 -0.162 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]C(C)C)C1 ZINC001379523118 898653134 /nfs/dbraw/zinc/65/31/34/898653134.db2.gz AVHYKXGPCNHTJY-NWDGAFQWSA-N 2 1 273.377 -0.818 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]C(C)C)C1 ZINC001379523118 898653142 /nfs/dbraw/zinc/65/31/42/898653142.db2.gz AVHYKXGPCNHTJY-NWDGAFQWSA-N 2 1 273.377 -0.818 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379518253 898654595 /nfs/dbraw/zinc/65/45/95/898654595.db2.gz KKXXZSUMLGFJRL-QWRGUYRKSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001379518253 898654597 /nfs/dbraw/zinc/65/45/97/898654597.db2.gz KKXXZSUMLGFJRL-QWRGUYRKSA-N 2 1 295.391 -0.711 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCC2)C1 ZINC001379528531 898657015 /nfs/dbraw/zinc/65/70/15/898657015.db2.gz YDVKNTJKOZGQFC-UONOGXRCSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCC2)C1 ZINC001379528531 898657022 /nfs/dbraw/zinc/65/70/22/898657022.db2.gz YDVKNTJKOZGQFC-UONOGXRCSA-N 2 1 299.415 -0.426 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001379549051 898664357 /nfs/dbraw/zinc/66/43/57/898664357.db2.gz AGCXQFORHQNIIU-FRRDWIJNSA-N 2 1 287.404 -0.570 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001379599352 898677696 /nfs/dbraw/zinc/67/76/96/898677696.db2.gz LULGQAWGUCTGIP-CMPLNLGQSA-N 2 1 293.371 -0.483 20 0 CBADMP C[C@@H](C[NH2+]Cc1ccn(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379601830 898680782 /nfs/dbraw/zinc/68/07/82/898680782.db2.gz UZPNCNKUOHCWKE-NWDGAFQWSA-N 2 1 279.388 -0.034 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2 ZINC001379641020 898689988 /nfs/dbraw/zinc/68/99/88/898689988.db2.gz XGXLBYJADHWBJW-SMDDNHRTSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2 ZINC001379641020 898689995 /nfs/dbraw/zinc/68/99/95/898689995.db2.gz XGXLBYJADHWBJW-SMDDNHRTSA-N 2 1 282.388 -0.463 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N1CCC1 ZINC001379807572 898734401 /nfs/dbraw/zinc/73/44/01/898734401.db2.gz YPOSOJVCHADZGZ-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N1CCC1 ZINC001379807572 898734411 /nfs/dbraw/zinc/73/44/11/898734411.db2.gz YPOSOJVCHADZGZ-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC(=O)N1CCC1 ZINC001379807572 898734417 /nfs/dbraw/zinc/73/44/17/898734417.db2.gz YPOSOJVCHADZGZ-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC(=O)N1CCC1 ZINC001379807572 898734427 /nfs/dbraw/zinc/73/44/27/898734427.db2.gz YPOSOJVCHADZGZ-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)no1 ZINC001379820461 898738295 /nfs/dbraw/zinc/73/82/95/898738295.db2.gz JRIPHPSIQBMPHA-CYBMUJFWSA-N 2 1 298.387 -0.156 20 0 CBADMP Cc1conc1C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001379843437 898743851 /nfs/dbraw/zinc/74/38/51/898743851.db2.gz SRCLUPFOHSAZRV-LBPRGKRZSA-N 2 1 298.387 -0.156 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001380180587 898832720 /nfs/dbraw/zinc/83/27/20/898832720.db2.gz ZRWGBLDPKCVSEJ-BPCQOVAHSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001380285885 898850877 /nfs/dbraw/zinc/85/08/77/898850877.db2.gz RFEPRVKXDZSNKU-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001380570244 898904016 /nfs/dbraw/zinc/90/40/16/898904016.db2.gz HAIBOXMBBJYQTP-CQSZACIVSA-N 2 1 287.379 -0.005 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)CC1 ZINC001380740772 898944892 /nfs/dbraw/zinc/94/48/92/898944892.db2.gz BPJWETDVFWOBCO-HNNXBMFYSA-N 2 1 299.415 -0.736 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCF)C1 ZINC001381042314 898990071 /nfs/dbraw/zinc/99/00/71/898990071.db2.gz GZGIIITWYDUWPW-JSGCOSHPSA-N 2 1 287.379 -0.007 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001381070532 898993330 /nfs/dbraw/zinc/99/33/30/898993330.db2.gz FCCUDBWCQZPXNX-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(N)=O ZINC001381199276 899009405 /nfs/dbraw/zinc/00/94/05/899009405.db2.gz INILDJMNHXGXKS-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001381223725 899011685 /nfs/dbraw/zinc/01/16/85/899011685.db2.gz QZULRXURJTWHMW-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001381304483 899025500 /nfs/dbraw/zinc/02/55/00/899025500.db2.gz WTOWAGKJDDJKAL-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC(C[NH2+]CC(=O)N(C)C)C1 ZINC001381340133 899033048 /nfs/dbraw/zinc/03/30/48/899033048.db2.gz QRGUHURNIOSQAK-UHFFFAOYSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001381517706 899070065 /nfs/dbraw/zinc/07/00/65/899070065.db2.gz PTSMDCMQISHPIP-AAEUAGOBSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001381517706 899070081 /nfs/dbraw/zinc/07/00/81/899070081.db2.gz PTSMDCMQISHPIP-AAEUAGOBSA-N 2 1 296.415 -0.489 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC(=O)NC ZINC001381621121 899095207 /nfs/dbraw/zinc/09/52/07/899095207.db2.gz FWJVDYHXPSJCDI-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC(=O)NC ZINC001381621121 899095219 /nfs/dbraw/zinc/09/52/19/899095219.db2.gz FWJVDYHXPSJCDI-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC ZINC001381621121 899095229 /nfs/dbraw/zinc/09/52/29/899095229.db2.gz FWJVDYHXPSJCDI-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC ZINC001381621121 899095243 /nfs/dbraw/zinc/09/52/43/899095243.db2.gz FWJVDYHXPSJCDI-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001381804000 899114453 /nfs/dbraw/zinc/11/44/53/899114453.db2.gz BKHNKKMKMAILRP-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001381804000 899114468 /nfs/dbraw/zinc/11/44/68/899114468.db2.gz BKHNKKMKMAILRP-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP 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 899131481 /nfs/dbraw/zinc/13/14/81/899131481.db2.gz DEDSUODMLDUGJS-LPWJVIDDSA-N 2 1 296.415 -0.504 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001381919520 899131485 /nfs/dbraw/zinc/13/14/85/899131485.db2.gz DEDSUODMLDUGJS-LPWJVIDDSA-N 2 1 296.415 -0.504 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001381919520 899131493 /nfs/dbraw/zinc/13/14/93/899131493.db2.gz DEDSUODMLDUGJS-LPWJVIDDSA-N 2 1 296.415 -0.504 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCO)C1 ZINC001381950660 899133777 /nfs/dbraw/zinc/13/37/77/899133777.db2.gz UUHPEAZVILUCBB-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCO ZINC001381991982 899140683 /nfs/dbraw/zinc/14/06/83/899140683.db2.gz SDJHPBOILQADKC-OLZOCXBDSA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCO ZINC001381991982 899140687 /nfs/dbraw/zinc/14/06/87/899140687.db2.gz SDJHPBOILQADKC-OLZOCXBDSA-N 2 1 287.404 -0.570 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001382028299 899144265 /nfs/dbraw/zinc/14/42/65/899144265.db2.gz CEAREZGIBLXCDA-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382152744 899167789 /nfs/dbraw/zinc/16/77/89/899167789.db2.gz MJGOXMSHSJWTQN-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001382216533 899197873 /nfs/dbraw/zinc/19/78/73/899197873.db2.gz HYJNOADQHDVVKH-QWHCGFSZSA-N 2 1 287.404 -0.834 20 0 CBADMP Cn1cncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001382238085 899202652 /nfs/dbraw/zinc/20/26/52/899202652.db2.gz BFJHVWWFWSTWTE-WCQYABFASA-N 2 1 295.387 -0.919 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@H]1C ZINC001382302410 899239151 /nfs/dbraw/zinc/23/91/51/899239151.db2.gz JGGQTCUPHRLBTF-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001455304662 914332771 /nfs/dbraw/zinc/33/27/71/914332771.db2.gz JHENGNOWGXKIPD-QWHCGFSZSA-N 2 1 278.356 -0.141 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001455304662 914332782 /nfs/dbraw/zinc/33/27/82/914332782.db2.gz JHENGNOWGXKIPD-QWHCGFSZSA-N 2 1 278.356 -0.141 20 0 CBADMP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001382450999 899303042 /nfs/dbraw/zinc/30/30/42/899303042.db2.gz OBRQHFZORBFXFM-RYUDHWBXSA-N 2 1 273.377 -0.912 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001382450999 899303057 /nfs/dbraw/zinc/30/30/57/899303057.db2.gz OBRQHFZORBFXFM-RYUDHWBXSA-N 2 1 273.377 -0.912 20 0 CBADMP CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001382450999 899303067 /nfs/dbraw/zinc/30/30/67/899303067.db2.gz OBRQHFZORBFXFM-RYUDHWBXSA-N 2 1 273.377 -0.912 20 0 CBADMP CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001382450999 899303082 /nfs/dbraw/zinc/30/30/82/899303082.db2.gz OBRQHFZORBFXFM-RYUDHWBXSA-N 2 1 273.377 -0.912 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001385940947 899604834 /nfs/dbraw/zinc/60/48/34/899604834.db2.gz MFRXZRRGNUJOOB-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001386313111 899651421 /nfs/dbraw/zinc/65/14/21/899651421.db2.gz MFRXZRRGNUJOOB-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001387819994 899833794 /nfs/dbraw/zinc/83/37/94/899833794.db2.gz NQSVAYOHNGBADH-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP COCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001388647568 899894191 /nfs/dbraw/zinc/89/41/91/899894191.db2.gz FODXRZUFFFDVOH-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP COCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001388647568 899894203 /nfs/dbraw/zinc/89/42/03/899894203.db2.gz FODXRZUFFFDVOH-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C1CCN(CC(N)=O)CC1 ZINC001389350662 899997364 /nfs/dbraw/zinc/99/73/64/899997364.db2.gz GAYDHHXQVBJPNL-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001389350662 899997372 /nfs/dbraw/zinc/99/73/72/899997372.db2.gz GAYDHHXQVBJPNL-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001389436457 900011149 /nfs/dbraw/zinc/01/11/49/900011149.db2.gz DFQBXFLLYSRWQV-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001389424972 900011051 /nfs/dbraw/zinc/01/10/51/900011051.db2.gz FWHOZPIZDPDAEV-AWEZNQCLSA-N 2 1 298.431 -0.946 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001389480509 900025463 /nfs/dbraw/zinc/02/54/63/900025463.db2.gz SOYBPJWAMFJNGP-OLZOCXBDSA-N 2 1 296.371 -0.611 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001389480509 900025473 /nfs/dbraw/zinc/02/54/73/900025473.db2.gz SOYBPJWAMFJNGP-OLZOCXBDSA-N 2 1 296.371 -0.611 20 0 CBADMP C[C@@H]([NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1)C(N)=O ZINC001389609941 900050855 /nfs/dbraw/zinc/05/08/55/900050855.db2.gz QPEFJANVTASXNH-ZWNOBZJWSA-N 2 1 296.415 -0.171 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001389693862 900058855 /nfs/dbraw/zinc/05/88/55/900058855.db2.gz QWLNADARUQPQKV-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC)C1 ZINC001389815674 900078875 /nfs/dbraw/zinc/07/88/75/900078875.db2.gz HEAHKPXUXHNQPK-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001390003643 900103242 /nfs/dbraw/zinc/10/32/42/900103242.db2.gz GVPLQGUQCQRJKO-BETUJISGSA-N 2 1 296.415 -0.156 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001390010710 900104180 /nfs/dbraw/zinc/10/41/80/900104180.db2.gz GWHMUWYFLILHIH-KXNHARMFSA-N 2 1 282.388 -0.691 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C1)C(N)=O ZINC001390003682 900104496 /nfs/dbraw/zinc/10/44/96/900104496.db2.gz HBQNLNVHIOYAJU-TUAOUCFPSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001390053403 900108902 /nfs/dbraw/zinc/10/89/02/900108902.db2.gz BDUQBTHPUURQAZ-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cncn1C ZINC001390319048 900137730 /nfs/dbraw/zinc/13/77/30/900137730.db2.gz IECHODCWAPPRRM-AAEUAGOBSA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cncn1C ZINC001390319048 900137741 /nfs/dbraw/zinc/13/77/41/900137741.db2.gz IECHODCWAPPRRM-AAEUAGOBSA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(=O)N(C)C ZINC001390393109 900150126 /nfs/dbraw/zinc/15/01/26/900150126.db2.gz CSSHZTKUJLOQNE-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH2+]CC(N)=O ZINC001390391149 900150937 /nfs/dbraw/zinc/15/09/37/900150937.db2.gz ABLLKDAUYOPJHP-YPMHNXCESA-N 2 1 296.415 -0.027 20 0 CBADMP COC[C@H](O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001390449256 900162067 /nfs/dbraw/zinc/16/20/67/900162067.db2.gz AASVOEXJCZVQPR-UPJWGTAASA-N 2 1 287.404 -0.428 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC)C1 ZINC001390458540 900168108 /nfs/dbraw/zinc/16/81/08/900168108.db2.gz NJCXEPDOCGYDBS-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cn(C)nn1 ZINC001390467453 900171017 /nfs/dbraw/zinc/17/10/17/900171017.db2.gz MMGKUHMCXGFQKS-LLVKDONJSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1cnnn1C ZINC001390504446 900175575 /nfs/dbraw/zinc/17/55/75/900175575.db2.gz GPZKBHYOLKNUHN-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ncnn1C ZINC001390510517 900180644 /nfs/dbraw/zinc/18/06/44/900180644.db2.gz QHSILMHKLFQWHQ-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ncnn1C ZINC001390510517 900180652 /nfs/dbraw/zinc/18/06/52/900180652.db2.gz QHSILMHKLFQWHQ-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001390514372 900181205 /nfs/dbraw/zinc/18/12/05/900181205.db2.gz AGPRRZKBHMLIFA-CMPLNLGQSA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC1CC1 ZINC001390522587 900181271 /nfs/dbraw/zinc/18/12/71/900181271.db2.gz RWHGUZNHGRCLPF-WCQYABFASA-N 2 1 296.415 -0.441 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001390579674 900192136 /nfs/dbraw/zinc/19/21/36/900192136.db2.gz WEUWKLYVAXWAJN-LBPRGKRZSA-N 2 1 293.371 -0.530 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001390590547 900193375 /nfs/dbraw/zinc/19/33/75/900193375.db2.gz DQICQUREIVXBLN-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)CC1 ZINC001390619588 900199274 /nfs/dbraw/zinc/19/92/74/900199274.db2.gz FWTNBIOJGLBDSR-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)CC1 ZINC001390619588 900199280 /nfs/dbraw/zinc/19/92/80/900199280.db2.gz FWTNBIOJGLBDSR-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001390647552 900204140 /nfs/dbraw/zinc/20/41/40/900204140.db2.gz QDIKXOFROYSHCV-AAEUAGOBSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@@H]([NH2+][C@H](C)CCNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001390684055 900208180 /nfs/dbraw/zinc/20/81/80/900208180.db2.gz XQEJSUHSJKEMNX-ZYHUDNBSSA-N 2 1 295.387 -0.060 20 0 CBADMP CC[C@@H]([NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001390720590 900216877 /nfs/dbraw/zinc/21/68/77/900216877.db2.gz XYQOLAOXABDKIQ-CMPLNLGQSA-N 2 1 295.387 -0.060 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001390762783 900239384 /nfs/dbraw/zinc/23/93/84/900239384.db2.gz BBWGSQOKQBKUHY-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001390762783 900239398 /nfs/dbraw/zinc/23/93/98/900239398.db2.gz BBWGSQOKQBKUHY-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001390762783 900239416 /nfs/dbraw/zinc/23/94/16/900239416.db2.gz BBWGSQOKQBKUHY-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001390762783 900239432 /nfs/dbraw/zinc/23/94/32/900239432.db2.gz BBWGSQOKQBKUHY-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001390844492 900266853 /nfs/dbraw/zinc/26/68/53/900266853.db2.gz KTYDYIUEYJRHLG-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001390844492 900266867 /nfs/dbraw/zinc/26/68/67/900266867.db2.gz KTYDYIUEYJRHLG-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCNC1=O ZINC001390844492 900266876 /nfs/dbraw/zinc/26/68/76/900266876.db2.gz KTYDYIUEYJRHLG-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC001390844492 900266891 /nfs/dbraw/zinc/26/68/91/900266891.db2.gz KTYDYIUEYJRHLG-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCn1cncn1 ZINC001390888997 900275655 /nfs/dbraw/zinc/27/56/55/900275655.db2.gz OIXSRHKPHJHLAT-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CCn1cncn1 ZINC001390888997 900275671 /nfs/dbraw/zinc/27/56/71/900275671.db2.gz OIXSRHKPHJHLAT-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CCn1cncn1 ZINC001390888997 900275689 /nfs/dbraw/zinc/27/56/89/900275689.db2.gz OIXSRHKPHJHLAT-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[N@H+](CCNC(=O)CC[NH+]1CCOCC1)C[C@H](C)O ZINC001390979683 900290033 /nfs/dbraw/zinc/29/00/33/900290033.db2.gz YDPJSFMSTWMYKA-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCOCC1)C[C@H](C)O ZINC001390979683 900290049 /nfs/dbraw/zinc/29/00/49/900290049.db2.gz YDPJSFMSTWMYKA-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H]1CCN(C)C1=O ZINC001391028235 900292857 /nfs/dbraw/zinc/29/28/57/900292857.db2.gz XHJMOMFYPBWZFC-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCN1[C@H](C)C(N)=O ZINC001391067163 900299957 /nfs/dbraw/zinc/29/99/57/900299957.db2.gz IPHDOKSIXIMAKN-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@H](C)C(N)=O ZINC001391067163 900299974 /nfs/dbraw/zinc/29/99/74/900299974.db2.gz IPHDOKSIXIMAKN-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@H](C)C(N)=O ZINC001391067163 900299990 /nfs/dbraw/zinc/29/99/90/900299990.db2.gz IPHDOKSIXIMAKN-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001391067163 900300006 /nfs/dbraw/zinc/30/00/06/900300006.db2.gz IPHDOKSIXIMAKN-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001391071070 900304953 /nfs/dbraw/zinc/30/49/53/900304953.db2.gz KXFKHVYXJOSJCD-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001391071070 900304962 /nfs/dbraw/zinc/30/49/62/900304962.db2.gz KXFKHVYXJOSJCD-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CCCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391098381 900309994 /nfs/dbraw/zinc/30/99/94/900309994.db2.gz OTEWYMWECXDUMG-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001391101760 900310794 /nfs/dbraw/zinc/31/07/94/900310794.db2.gz OUKFVVJHNHDNLO-NEPJUHHUSA-N 2 1 293.371 -0.497 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001391101760 900310804 /nfs/dbraw/zinc/31/08/04/900310804.db2.gz OUKFVVJHNHDNLO-NEPJUHHUSA-N 2 1 293.371 -0.497 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+]([C@H](C)C(N)=O)C1CC1)[NH+](C)C ZINC001391201873 900334656 /nfs/dbraw/zinc/33/46/56/900334656.db2.gz UHUMNCJJOVEOOE-ZYHUDNBSSA-N 2 1 284.404 -0.219 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001391223648 900344061 /nfs/dbraw/zinc/34/40/61/900344061.db2.gz BDXZBCSYICHKBD-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H]([NH2+]CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001391235157 900345703 /nfs/dbraw/zinc/34/57/03/900345703.db2.gz UVLRGCYIFJGLOP-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H]([NH2+]CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001391235157 900345709 /nfs/dbraw/zinc/34/57/09/900345709.db2.gz UVLRGCYIFJGLOP-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@H+](CCO)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001391342488 900358547 /nfs/dbraw/zinc/35/85/47/900358547.db2.gz DOAJZTWXLCDYKX-OLZOCXBDSA-N 2 1 285.388 -0.910 20 0 CBADMP C[N@@H+](CCO)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001391342488 900358553 /nfs/dbraw/zinc/35/85/53/900358553.db2.gz DOAJZTWXLCDYKX-OLZOCXBDSA-N 2 1 285.388 -0.910 20 0 CBADMP C[NH+](CCO)C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001391342488 900358558 /nfs/dbraw/zinc/35/85/58/900358558.db2.gz DOAJZTWXLCDYKX-OLZOCXBDSA-N 2 1 285.388 -0.910 20 0 CBADMP C[NH+](CCO)C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001391342488 900358567 /nfs/dbraw/zinc/35/85/67/900358567.db2.gz DOAJZTWXLCDYKX-OLZOCXBDSA-N 2 1 285.388 -0.910 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001391353048 900360062 /nfs/dbraw/zinc/36/00/62/900360062.db2.gz HQUNANVRJLHXQE-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001391493609 900393968 /nfs/dbraw/zinc/39/39/68/900393968.db2.gz AUCGKNHZGZWUGM-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001391563581 900411016 /nfs/dbraw/zinc/41/10/16/900411016.db2.gz RNKYWSPMZMLAPU-IHRRRGAJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001391563581 900411021 /nfs/dbraw/zinc/41/10/21/900411021.db2.gz RNKYWSPMZMLAPU-IHRRRGAJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001391563581 900411029 /nfs/dbraw/zinc/41/10/29/900411029.db2.gz RNKYWSPMZMLAPU-IHRRRGAJSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001391584359 900412706 /nfs/dbraw/zinc/41/27/06/900412706.db2.gz UFNDUSKNHYMOJL-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001391584359 900412710 /nfs/dbraw/zinc/41/27/10/900412710.db2.gz UFNDUSKNHYMOJL-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(N)=O ZINC001391892738 900460592 /nfs/dbraw/zinc/46/05/92/900460592.db2.gz GZXYKQIIWSNAOR-HBNTYKKESA-N 2 1 270.377 -0.846 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001391913828 900464826 /nfs/dbraw/zinc/46/48/26/900464826.db2.gz CSYGVNRGPRUSLA-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1nnn(C)n1 ZINC001391963616 900474628 /nfs/dbraw/zinc/47/46/28/900474628.db2.gz PIEUKBJVNCEKDV-MNOVXSKESA-N 2 1 295.391 -0.996 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nnn(C)n1 ZINC001391963616 900474638 /nfs/dbraw/zinc/47/46/38/900474638.db2.gz PIEUKBJVNCEKDV-MNOVXSKESA-N 2 1 295.391 -0.996 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1nnn(C)n1 ZINC001391963622 900474958 /nfs/dbraw/zinc/47/49/58/900474958.db2.gz PIEUKBJVNCEKDV-QWRGUYRKSA-N 2 1 295.391 -0.996 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nnn(C)n1 ZINC001391963622 900474973 /nfs/dbraw/zinc/47/49/73/900474973.db2.gz PIEUKBJVNCEKDV-QWRGUYRKSA-N 2 1 295.391 -0.996 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC1([NH2+]CCO)CCCC1 ZINC001392017785 900490714 /nfs/dbraw/zinc/49/07/14/900490714.db2.gz IUBNRMDLLHJUPY-UHFFFAOYSA-N 2 1 299.415 -0.280 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001392084955 900507637 /nfs/dbraw/zinc/50/76/37/900507637.db2.gz USJOXIROWLIVIV-ZYHUDNBSSA-N 2 1 295.387 -0.237 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001392103979 900511781 /nfs/dbraw/zinc/51/17/81/900511781.db2.gz WBKOTEGUEBDLKK-NSHDSACASA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392129856 900518461 /nfs/dbraw/zinc/51/84/61/900518461.db2.gz HGKHHLUBDFNILQ-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392129856 900518471 /nfs/dbraw/zinc/51/84/71/900518471.db2.gz HGKHHLUBDFNILQ-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392133229 900519085 /nfs/dbraw/zinc/51/90/85/900519085.db2.gz MAYAOCYNNVIQFK-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001392136811 900519435 /nfs/dbraw/zinc/51/94/35/900519435.db2.gz WDNBCKCKLAYPAU-QWRGUYRKSA-N 2 1 295.387 -0.237 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001392125323 900519815 /nfs/dbraw/zinc/51/98/15/900519815.db2.gz WRAIJWFMKZKQAT-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001392136807 900520378 /nfs/dbraw/zinc/52/03/78/900520378.db2.gz WDNBCKCKLAYPAU-GHMZBOCLSA-N 2 1 295.387 -0.237 20 0 CBADMP CN(CC[N@H+](C)C[C@H]1CCOC1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001392271886 900550824 /nfs/dbraw/zinc/55/08/24/900550824.db2.gz MDDBZAYWSOFNAO-ZIAGYGMSSA-N 2 1 299.415 -0.256 20 0 CBADMP CN(CC[N@@H+](C)C[C@H]1CCOC1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001392271886 900550830 /nfs/dbraw/zinc/55/08/30/900550830.db2.gz MDDBZAYWSOFNAO-ZIAGYGMSSA-N 2 1 299.415 -0.256 20 0 CBADMP CN(CC[NH+](C)C[C@H]1CCOC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001392271886 900550843 /nfs/dbraw/zinc/55/08/43/900550843.db2.gz MDDBZAYWSOFNAO-ZIAGYGMSSA-N 2 1 299.415 -0.256 20 0 CBADMP CN(CC[NH+](C)C[C@H]1CCOC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001392271886 900550849 /nfs/dbraw/zinc/55/08/49/900550849.db2.gz MDDBZAYWSOFNAO-ZIAGYGMSSA-N 2 1 299.415 -0.256 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001392326855 900564493 /nfs/dbraw/zinc/56/44/93/900564493.db2.gz NHKYHBJOROYXJA-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH2+]C[C@@H](O)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001392409826 900609201 /nfs/dbraw/zinc/60/92/01/900609201.db2.gz LYOYDWPWYUWCQS-CYBMUJFWSA-N 2 1 289.339 -0.033 20 0 CBADMP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001392529623 900646995 /nfs/dbraw/zinc/64/69/95/900646995.db2.gz IJRZLQPEPFHQIN-MWLCHTKSSA-N 2 1 281.360 -0.450 20 0 CBADMP C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392530269 900648695 /nfs/dbraw/zinc/64/86/95/900648695.db2.gz ONBFDWOBWLBZIF-DGCLKSJQSA-N 2 1 296.415 -0.441 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001392602779 900673834 /nfs/dbraw/zinc/67/38/34/900673834.db2.gz SMQBKZUTKNATMI-QWRGUYRKSA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@@H]([NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1)c1nnnn1C ZINC001392617164 900677274 /nfs/dbraw/zinc/67/72/74/900677274.db2.gz YBFQJPJDLMFLTH-WDEREUQCSA-N 2 1 295.391 -0.539 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392608420 900678374 /nfs/dbraw/zinc/67/83/74/900678374.db2.gz OENAJFVMWPKEQP-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392608420 900678380 /nfs/dbraw/zinc/67/83/80/900678380.db2.gz OENAJFVMWPKEQP-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001392682373 900698175 /nfs/dbraw/zinc/69/81/75/900698175.db2.gz XILHFOHFCISDCQ-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001392682373 900698180 /nfs/dbraw/zinc/69/81/80/900698180.db2.gz XILHFOHFCISDCQ-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP COC[C@H](O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001392727631 900714857 /nfs/dbraw/zinc/71/48/57/900714857.db2.gz OPKDZBIYUASDAZ-DGCLKSJQSA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001392727631 900714865 /nfs/dbraw/zinc/71/48/65/900714865.db2.gz OPKDZBIYUASDAZ-DGCLKSJQSA-N 2 1 298.387 -0.365 20 0 CBADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001392726561 900715828 /nfs/dbraw/zinc/71/58/28/900715828.db2.gz LKERTNJSMQEVEC-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001392726561 900715832 /nfs/dbraw/zinc/71/58/32/900715832.db2.gz LKERTNJSMQEVEC-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@H]([NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1)C(N)=O ZINC001392760982 900718936 /nfs/dbraw/zinc/71/89/36/900718936.db2.gz ALDDAWDATIBAAU-GWCFXTLKSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392791150 900728110 /nfs/dbraw/zinc/72/81/10/900728110.db2.gz DKSZUQXWGUGNDH-PWSUYJOCSA-N 2 1 282.388 -0.702 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1 ZINC001392905935 900758125 /nfs/dbraw/zinc/75/81/25/900758125.db2.gz GQYDVERDGZXQGW-NEPJUHHUSA-N 2 1 296.415 -0.027 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001392957205 900768156 /nfs/dbraw/zinc/76/81/56/900768156.db2.gz RIFFVFXZCAMMCQ-SNVBAGLBSA-N 2 1 293.371 -0.436 20 0 CBADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001392957562 900768576 /nfs/dbraw/zinc/76/85/76/900768576.db2.gz WHXGAAPGYPKAJR-LBPRGKRZSA-N 2 1 296.371 -0.563 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001393110702 900794030 /nfs/dbraw/zinc/79/40/30/900794030.db2.gz ZBWBHPQJBAVFMH-AWEZNQCLSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001393110702 900794038 /nfs/dbraw/zinc/79/40/38/900794038.db2.gz ZBWBHPQJBAVFMH-AWEZNQCLSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001393165478 900800612 /nfs/dbraw/zinc/80/06/12/900800612.db2.gz WHEAGKFKGFPBKB-SWLSCSKDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[NH+](CCF)C2)C1 ZINC001393280579 900825812 /nfs/dbraw/zinc/82/58/12/900825812.db2.gz FNWDWNYTCSMXAW-JSGCOSHPSA-N 2 1 287.379 -0.149 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[NH+](CCF)C2)C1 ZINC001393280579 900825822 /nfs/dbraw/zinc/82/58/22/900825822.db2.gz FNWDWNYTCSMXAW-JSGCOSHPSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)C1 ZINC001393280579 900825829 /nfs/dbraw/zinc/82/58/29/900825829.db2.gz FNWDWNYTCSMXAW-JSGCOSHPSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)C1 ZINC001393280579 900825839 /nfs/dbraw/zinc/82/58/39/900825839.db2.gz FNWDWNYTCSMXAW-JSGCOSHPSA-N 2 1 287.379 -0.149 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001393279753 900826555 /nfs/dbraw/zinc/82/65/55/900826555.db2.gz FIEMNAKTTYCDSY-ZFWWWQNUSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001393279753 900826562 /nfs/dbraw/zinc/82/65/62/900826562.db2.gz FIEMNAKTTYCDSY-ZFWWWQNUSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001393279753 900826575 /nfs/dbraw/zinc/82/65/75/900826575.db2.gz FIEMNAKTTYCDSY-ZFWWWQNUSA-N 2 1 299.415 -0.736 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001393451598 900858395 /nfs/dbraw/zinc/85/83/95/900858395.db2.gz ABSJBMAOCDUJDU-HNNXBMFYSA-N 2 1 299.415 -0.592 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@]1(CO)CCC[N@H+](CCCO)C1 ZINC001393451598 900858399 /nfs/dbraw/zinc/85/83/99/900858399.db2.gz ABSJBMAOCDUJDU-HNNXBMFYSA-N 2 1 299.415 -0.592 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001393464025 900861688 /nfs/dbraw/zinc/86/16/88/900861688.db2.gz OXOLVOHOWZDQAH-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001393464025 900861699 /nfs/dbraw/zinc/86/16/99/900861699.db2.gz OXOLVOHOWZDQAH-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001393629074 900886550 /nfs/dbraw/zinc/88/65/50/900886550.db2.gz FFCDKYRYVDHFPT-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP Cc1nc[nH]c1CC(=O)N(C)CCC[N@@H+](C)CC(N)=O ZINC001393640872 900887770 /nfs/dbraw/zinc/88/77/70/900887770.db2.gz NFIGJRXIFCPAHJ-UHFFFAOYSA-N 2 1 281.360 -0.474 20 0 CBADMP Cc1nc[nH]c1CC(=O)N(C)CCCN(C)CC(N)=O ZINC001393640872 900887778 /nfs/dbraw/zinc/88/77/78/900887778.db2.gz NFIGJRXIFCPAHJ-UHFFFAOYSA-N 2 1 281.360 -0.474 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nncn1C ZINC001393745080 900899620 /nfs/dbraw/zinc/89/96/20/900899620.db2.gz GAMBLXNHEZDIOM-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ncnn1C ZINC001393965735 900943169 /nfs/dbraw/zinc/94/31/69/900943169.db2.gz FOEUIAAVBGFLPD-WDEREUQCSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[N@H+](C)CCCO ZINC001394109555 900972738 /nfs/dbraw/zinc/97/27/38/900972738.db2.gz BTNIXXCPPQPNKD-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[N@@H+](C)CCCO ZINC001394109555 900972751 /nfs/dbraw/zinc/97/27/51/900972751.db2.gz BTNIXXCPPQPNKD-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[N@H+](C)CCCO ZINC001394109552 900976572 /nfs/dbraw/zinc/97/65/72/900976572.db2.gz BTNIXXCPPQPNKD-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[N@@H+](C)CCCO ZINC001394109552 900976586 /nfs/dbraw/zinc/97/65/86/900976586.db2.gz BTNIXXCPPQPNKD-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001394263868 901003038 /nfs/dbraw/zinc/00/30/38/901003038.db2.gz MSHCEZOALXQOTO-YPMHNXCESA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ncnn1C ZINC001394522408 901042898 /nfs/dbraw/zinc/04/28/98/901042898.db2.gz TUADTGHKRWAVTM-NSHDSACASA-N 2 1 282.392 -0.297 20 0 CBADMP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001394555251 901049702 /nfs/dbraw/zinc/04/97/02/901049702.db2.gz CHTSBKVQGILNJY-CMPLNLGQSA-N 2 1 295.387 -0.108 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001394563812 901054190 /nfs/dbraw/zinc/05/41/90/901054190.db2.gz CAVLPHHBBOBHOY-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[NH2+][C@@H](CO)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001394603342 901083939 /nfs/dbraw/zinc/08/39/39/901083939.db2.gz KCSIBNMZVYTNMQ-SNVBAGLBSA-N 2 1 284.360 -0.175 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccn2)C1 ZINC001394654347 901109116 /nfs/dbraw/zinc/10/91/16/901109116.db2.gz FKIUMNQUXVWDOM-OCCSQVGLSA-N 2 1 292.383 -0.400 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccn2)C1 ZINC001394654347 901109126 /nfs/dbraw/zinc/10/91/26/901109126.db2.gz FKIUMNQUXVWDOM-OCCSQVGLSA-N 2 1 292.383 -0.400 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cnns2)C1 ZINC001394658172 901112512 /nfs/dbraw/zinc/11/25/12/901112512.db2.gz VFMATGXHZWODRM-ZJUUUORDSA-N 2 1 299.400 -0.944 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cnns2)C1 ZINC001394658172 901112519 /nfs/dbraw/zinc/11/25/19/901112519.db2.gz VFMATGXHZWODRM-ZJUUUORDSA-N 2 1 299.400 -0.944 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001394691488 901120660 /nfs/dbraw/zinc/12/06/60/901120660.db2.gz NFJQCGQGAUAPSU-LALPHHSUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCC[N@@H+]1CCO ZINC001394701446 901123064 /nfs/dbraw/zinc/12/30/64/901123064.db2.gz CFYXRHJRAWXESO-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCC[N@H+]1CCO ZINC001394701446 901123072 /nfs/dbraw/zinc/12/30/72/901123072.db2.gz CFYXRHJRAWXESO-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001395172949 901185729 /nfs/dbraw/zinc/18/57/29/901185729.db2.gz SWGMRDHQCIVXCE-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001397128916 901367471 /nfs/dbraw/zinc/36/74/71/901367471.db2.gz MLLQOQNPJDPJSM-HAQNSBGRSA-N 2 1 293.371 -0.578 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001397138835 901367859 /nfs/dbraw/zinc/36/78/59/901367859.db2.gz VMNAHJMOTBQUQI-JHJVBQTASA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001397137978 901368043 /nfs/dbraw/zinc/36/80/43/901368043.db2.gz SEYVCENKQSBQSU-HAQNSBGRSA-N 2 1 284.404 -0.441 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001397801724 901456778 /nfs/dbraw/zinc/45/67/78/901456778.db2.gz HRFZWLFDHCBLQW-ZOBORPQBSA-N 2 1 299.415 -0.333 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001397801724 901456792 /nfs/dbraw/zinc/45/67/92/901456792.db2.gz HRFZWLFDHCBLQW-ZOBORPQBSA-N 2 1 299.415 -0.333 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001397801724 901456804 /nfs/dbraw/zinc/45/68/04/901456804.db2.gz HRFZWLFDHCBLQW-ZOBORPQBSA-N 2 1 299.415 -0.333 20 0 CBADMP CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCC[NH+]1C ZINC001397930455 901478799 /nfs/dbraw/zinc/47/87/99/901478799.db2.gz WHTNRVJYXMVGDZ-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)[C@@H]1CC[NH+](C)C1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001397930455 901478806 /nfs/dbraw/zinc/47/88/06/901478806.db2.gz WHTNRVJYXMVGDZ-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)[C@@H]1CC[NH+](C)C1)C(=O)[C@H]1CCC[N@H+]1C ZINC001397930455 901478810 /nfs/dbraw/zinc/47/88/10/901478810.db2.gz WHTNRVJYXMVGDZ-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001398228927 901508829 /nfs/dbraw/zinc/50/88/29/901508829.db2.gz FYLFQTKTWYAAAU-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001398228927 901508838 /nfs/dbraw/zinc/50/88/38/901508838.db2.gz FYLFQTKTWYAAAU-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCN1CC[NH+](CCO)CC1 ZINC001398275881 901518478 /nfs/dbraw/zinc/51/84/78/901518478.db2.gz CPFBARMNATYYGA-UHFFFAOYSA-N 2 1 286.420 -0.946 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C[C@H](O)COC)C1)[NH+](C)C ZINC001398309331 901519977 /nfs/dbraw/zinc/51/99/77/901519977.db2.gz MJIMVNLMANILIU-RWMBFGLXSA-N 2 1 287.404 -0.476 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001398340823 901525619 /nfs/dbraw/zinc/52/56/19/901525619.db2.gz STQISYOTYIEBRG-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001398340823 901525632 /nfs/dbraw/zinc/52/56/32/901525632.db2.gz STQISYOTYIEBRG-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001398534090 901550479 /nfs/dbraw/zinc/55/04/79/901550479.db2.gz SVIQHNLADCKCRH-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001398534856 901551187 /nfs/dbraw/zinc/55/11/87/901551187.db2.gz UKQHZROQMFFDCI-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001398534856 901551192 /nfs/dbraw/zinc/55/11/92/901551192.db2.gz UKQHZROQMFFDCI-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001398536531 901554083 /nfs/dbraw/zinc/55/40/83/901554083.db2.gz REKSQWBOZLZAHS-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001398536538 901554246 /nfs/dbraw/zinc/55/42/46/901554246.db2.gz REKSQWBOZLZAHS-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001398553936 901557421 /nfs/dbraw/zinc/55/74/21/901557421.db2.gz LIFGBAARVDOOHS-IJLUTSLNSA-N 2 1 282.388 -0.689 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001398555882 901558422 /nfs/dbraw/zinc/55/84/22/901558422.db2.gz FUISZGHODJXBKY-IJLUTSLNSA-N 2 1 282.388 -0.547 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001398559948 901561348 /nfs/dbraw/zinc/56/13/48/901561348.db2.gz BVFFOGYXVOEMIJ-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)n1 ZINC001398612575 901576789 /nfs/dbraw/zinc/57/67/89/901576789.db2.gz BOIVYFGHAZHNMY-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001398620680 901578293 /nfs/dbraw/zinc/57/82/93/901578293.db2.gz MULWQPDPEBWQGC-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001398657873 901585298 /nfs/dbraw/zinc/58/52/98/901585298.db2.gz YBMRCSQARBHONN-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001398694253 901590565 /nfs/dbraw/zinc/59/05/65/901590565.db2.gz QCWVIWSRCJTOCD-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP CCn1ncc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001398880735 901620709 /nfs/dbraw/zinc/62/07/09/901620709.db2.gz MEZQEBLWROLNDE-WCQYABFASA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1ncc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001398880735 901620717 /nfs/dbraw/zinc/62/07/17/901620717.db2.gz MEZQEBLWROLNDE-WCQYABFASA-N 2 1 294.403 -0.014 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001398950488 901639679 /nfs/dbraw/zinc/63/96/79/901639679.db2.gz PASLRXBBFJEYOR-YPMHNXCESA-N 2 1 296.419 -0.004 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001399077271 901657054 /nfs/dbraw/zinc/65/70/54/901657054.db2.gz CFXSBBCWNNYYIA-JTQLQIEISA-N 2 1 281.360 -0.449 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001399110304 901665994 /nfs/dbraw/zinc/66/59/94/901665994.db2.gz REENIFHFROENLF-AAEUAGOBSA-N 2 1 296.419 -0.004 20 0 CBADMP COC[C@H](O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001399119295 901668105 /nfs/dbraw/zinc/66/81/05/901668105.db2.gz QBUBFKUFFXLRRR-ZYHUDNBSSA-N 2 1 284.360 -0.707 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399122329 901669371 /nfs/dbraw/zinc/66/93/71/901669371.db2.gz QXDWMCZAIOFNEP-QWRGUYRKSA-N 2 1 270.377 -0.832 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ncnn1C ZINC001399125665 901672450 /nfs/dbraw/zinc/67/24/50/901672450.db2.gz UXJCFMVNUCQKKB-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cn(C)nn1 ZINC001399126915 901673644 /nfs/dbraw/zinc/67/36/44/901673644.db2.gz VYUQTSYBHDBSLS-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001399380176 901706852 /nfs/dbraw/zinc/70/68/52/901706852.db2.gz WAXGFGZMBNWBFL-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001399486722 901732935 /nfs/dbraw/zinc/73/29/35/901732935.db2.gz QIZOFGIAZSNIDD-JHJVBQTASA-N 2 1 287.404 -0.618 20 0 CBADMP COC[C@H](O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001399486722 901732949 /nfs/dbraw/zinc/73/29/49/901732949.db2.gz QIZOFGIAZSNIDD-JHJVBQTASA-N 2 1 287.404 -0.618 20 0 CBADMP COC[C@H](O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001399486722 901732959 /nfs/dbraw/zinc/73/29/59/901732959.db2.gz QIZOFGIAZSNIDD-JHJVBQTASA-N 2 1 287.404 -0.618 20 0 CBADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)C1 ZINC001457420107 914560670 /nfs/dbraw/zinc/56/06/70/914560670.db2.gz ZRTKVQVJZPGFSY-MCIONIFRSA-N 2 1 280.416 -0.073 20 0 CBADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C1 ZINC001457420107 914560681 /nfs/dbraw/zinc/56/06/81/914560681.db2.gz ZRTKVQVJZPGFSY-MCIONIFRSA-N 2 1 280.416 -0.073 20 0 CBADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001457420107 914560696 /nfs/dbraw/zinc/56/06/96/914560696.db2.gz ZRTKVQVJZPGFSY-MCIONIFRSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)[C@H]2CCN(C)C2=O)C1 ZINC001399574767 901753707 /nfs/dbraw/zinc/75/37/07/901753707.db2.gz JHCVICDJRFRGGY-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)[C@H]2CCN(C)C2=O)C1 ZINC001399574767 901753716 /nfs/dbraw/zinc/75/37/16/901753716.db2.gz JHCVICDJRFRGGY-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001399574767 901753725 /nfs/dbraw/zinc/75/37/25/901753725.db2.gz JHCVICDJRFRGGY-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001399574767 901753737 /nfs/dbraw/zinc/75/37/37/901753737.db2.gz JHCVICDJRFRGGY-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCCNC1=O ZINC001399654233 901766555 /nfs/dbraw/zinc/76/65/55/901766555.db2.gz KYCBWYMYTJPXAZ-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCCNC1=O ZINC001399654233 901766563 /nfs/dbraw/zinc/76/65/63/901766563.db2.gz KYCBWYMYTJPXAZ-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCNC1=O ZINC001399654233 901766574 /nfs/dbraw/zinc/76/65/74/901766574.db2.gz KYCBWYMYTJPXAZ-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCNC1=O ZINC001399654233 901766582 /nfs/dbraw/zinc/76/65/82/901766582.db2.gz KYCBWYMYTJPXAZ-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001399919768 901836519 /nfs/dbraw/zinc/83/65/19/901836519.db2.gz AKGSHLAHIJNFOQ-LBPRGKRZSA-N 2 1 294.403 -0.295 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001399919768 901836531 /nfs/dbraw/zinc/83/65/31/901836531.db2.gz AKGSHLAHIJNFOQ-LBPRGKRZSA-N 2 1 294.403 -0.295 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001399955140 901841189 /nfs/dbraw/zinc/84/11/89/901841189.db2.gz RXEDVQPKAZGPHA-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001399955140 901841193 /nfs/dbraw/zinc/84/11/93/901841193.db2.gz RXEDVQPKAZGPHA-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001399955140 901841200 /nfs/dbraw/zinc/84/12/00/901841200.db2.gz RXEDVQPKAZGPHA-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001399955151 901843220 /nfs/dbraw/zinc/84/32/20/901843220.db2.gz RXEDVQPKAZGPHA-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001399955151 901843227 /nfs/dbraw/zinc/84/32/27/901843227.db2.gz RXEDVQPKAZGPHA-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001399955151 901843237 /nfs/dbraw/zinc/84/32/37/901843237.db2.gz RXEDVQPKAZGPHA-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001400026111 901858204 /nfs/dbraw/zinc/85/82/04/901858204.db2.gz RLYVGRDHPXQYMU-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001400026111 901858212 /nfs/dbraw/zinc/85/82/12/901858212.db2.gz RLYVGRDHPXQYMU-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH+](C1CC1)[C@H]1CCNC1=O ZINC001400044397 901861595 /nfs/dbraw/zinc/86/15/95/901861595.db2.gz WJQBNQVZZSYVBY-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C1CC1)[C@H]1CCNC1=O ZINC001400044397 901861606 /nfs/dbraw/zinc/86/16/06/901861606.db2.gz WJQBNQVZZSYVBY-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001400044397 901861619 /nfs/dbraw/zinc/86/16/19/901861619.db2.gz WJQBNQVZZSYVBY-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001400044397 901861625 /nfs/dbraw/zinc/86/16/25/901861625.db2.gz WJQBNQVZZSYVBY-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001400054849 901866748 /nfs/dbraw/zinc/86/67/48/901866748.db2.gz MQBNKGNCQHGIHH-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001400066617 901869682 /nfs/dbraw/zinc/86/96/82/901869682.db2.gz HKTFJPCNKSCABP-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)CC[N@@H+](C)CC)C1=O ZINC001400066028 901872082 /nfs/dbraw/zinc/87/20/82/901872082.db2.gz NGTWYXXSEMBQKW-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001400066689 901871734 /nfs/dbraw/zinc/87/17/34/901871734.db2.gz HKTFJPCNKSCABP-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001400659949 901991101 /nfs/dbraw/zinc/99/11/01/901991101.db2.gz VNDMTRYKEDKMFA-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001400659949 901991111 /nfs/dbraw/zinc/99/11/11/901991111.db2.gz VNDMTRYKEDKMFA-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001400659949 901991122 /nfs/dbraw/zinc/99/11/22/901991122.db2.gz VNDMTRYKEDKMFA-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001400659949 901991127 /nfs/dbraw/zinc/99/11/27/901991127.db2.gz VNDMTRYKEDKMFA-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001400807396 902020563 /nfs/dbraw/zinc/02/05/63/902020563.db2.gz UXMMTGQLDFTXRB-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001400831705 902023722 /nfs/dbraw/zinc/02/37/22/902023722.db2.gz OXTLKWUHKGHCLR-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001400831708 902024182 /nfs/dbraw/zinc/02/41/82/902024182.db2.gz OXTLKWUHKGHCLR-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NC ZINC001400873379 902034021 /nfs/dbraw/zinc/03/40/21/902034021.db2.gz ZRXHHPCGBJMFIY-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001401265017 902097069 /nfs/dbraw/zinc/09/70/69/902097069.db2.gz YDQMNMPQDMEENQ-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001401381537 902120741 /nfs/dbraw/zinc/12/07/41/902120741.db2.gz CTQCYXIDUJNGMT-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001401381537 902120757 /nfs/dbraw/zinc/12/07/57/902120757.db2.gz CTQCYXIDUJNGMT-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401381537 902120766 /nfs/dbraw/zinc/12/07/66/902120766.db2.gz CTQCYXIDUJNGMT-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401381537 902120778 /nfs/dbraw/zinc/12/07/78/902120778.db2.gz CTQCYXIDUJNGMT-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001401435010 902122161 /nfs/dbraw/zinc/12/21/61/902122161.db2.gz GWVPDMWVOQMRNS-OLZOCXBDSA-N 2 1 287.404 -0.664 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401435010 902122166 /nfs/dbraw/zinc/12/21/66/902122166.db2.gz GWVPDMWVOQMRNS-OLZOCXBDSA-N 2 1 287.404 -0.664 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401435010 902122172 /nfs/dbraw/zinc/12/21/72/902122172.db2.gz GWVPDMWVOQMRNS-OLZOCXBDSA-N 2 1 287.404 -0.664 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1)[NH+](C)C ZINC001401551085 902162083 /nfs/dbraw/zinc/16/20/83/902162083.db2.gz GCNXOHRPNSGZKO-RYUDHWBXSA-N 2 1 295.387 -0.617 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccccn1 ZINC001401556568 902165174 /nfs/dbraw/zinc/16/51/74/902165174.db2.gz MNVOYFTWEWSUMK-ZIAGYGMSSA-N 2 1 292.383 -0.258 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+][C@H](C)C(N)=O ZINC001401605503 902184370 /nfs/dbraw/zinc/18/43/70/902184370.db2.gz PSVNRCMXERXYHR-WDEREUQCSA-N 2 1 272.393 -0.315 20 0 CBADMP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001401633564 902199383 /nfs/dbraw/zinc/19/93/83/902199383.db2.gz LAXGDXOAGFVCAK-ZYHUDNBSSA-N 2 1 282.392 -0.250 20 0 CBADMP COC[C@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001401654696 902208406 /nfs/dbraw/zinc/20/84/06/902208406.db2.gz VXOBPIRHDCNTJJ-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001401761037 902263296 /nfs/dbraw/zinc/26/32/96/902263296.db2.gz XZPULDNUUCHVJQ-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001401761037 902263273 /nfs/dbraw/zinc/26/32/73/902263273.db2.gz XZPULDNUUCHVJQ-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001401761037 902263282 /nfs/dbraw/zinc/26/32/82/902263282.db2.gz XZPULDNUUCHVJQ-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001401761037 902263306 /nfs/dbraw/zinc/26/33/06/902263306.db2.gz XZPULDNUUCHVJQ-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001401777650 902271587 /nfs/dbraw/zinc/27/15/87/902271587.db2.gz HELVYYICSZTPOA-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001401777650 902271590 /nfs/dbraw/zinc/27/15/90/902271590.db2.gz HELVYYICSZTPOA-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001401777650 902271596 /nfs/dbraw/zinc/27/15/96/902271596.db2.gz HELVYYICSZTPOA-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001401777650 902271604 /nfs/dbraw/zinc/27/16/04/902271604.db2.gz HELVYYICSZTPOA-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001401786216 902271920 /nfs/dbraw/zinc/27/19/20/902271920.db2.gz OCMXCGYLDFNILL-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001401786216 902271929 /nfs/dbraw/zinc/27/19/29/902271929.db2.gz OCMXCGYLDFNILL-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001401793727 902277066 /nfs/dbraw/zinc/27/70/66/902277066.db2.gz CBTLQSOARBSLMK-WDEREUQCSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001401793727 902277081 /nfs/dbraw/zinc/27/70/81/902277081.db2.gz CBTLQSOARBSLMK-WDEREUQCSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001401793725 902278964 /nfs/dbraw/zinc/27/89/64/902278964.db2.gz CBTLQSOARBSLMK-QWRGUYRKSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001401793725 902278972 /nfs/dbraw/zinc/27/89/72/902278972.db2.gz CBTLQSOARBSLMK-QWRGUYRKSA-N 2 1 282.388 -0.608 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001401803849 902279126 /nfs/dbraw/zinc/27/91/26/902279126.db2.gz XWDGKYXABIGISY-DGCLKSJQSA-N 2 1 286.420 -0.245 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001401803849 902279142 /nfs/dbraw/zinc/27/91/42/902279142.db2.gz XWDGKYXABIGISY-DGCLKSJQSA-N 2 1 286.420 -0.245 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001401949015 902323669 /nfs/dbraw/zinc/32/36/69/902323669.db2.gz VFJBKJCUXUKSMR-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001401975401 902329724 /nfs/dbraw/zinc/32/97/24/902329724.db2.gz HIGDPPYEDQKNEX-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001401984915 902331680 /nfs/dbraw/zinc/33/16/80/902331680.db2.gz HXCKKZLWVODXHU-GFCCVEGCSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+](CC(=O)NC)CC1 ZINC001402063528 902347137 /nfs/dbraw/zinc/34/71/37/902347137.db2.gz YRJWJGQDLRDALB-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](CC(=O)NC)CC1 ZINC001402063528 902347146 /nfs/dbraw/zinc/34/71/46/902347146.db2.gz YRJWJGQDLRDALB-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC001402104366 902357251 /nfs/dbraw/zinc/35/72/51/902357251.db2.gz QFBAZPPRLHOZOU-ZIAGYGMSSA-N 2 1 298.431 -0.947 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001402127129 902367585 /nfs/dbraw/zinc/36/75/85/902367585.db2.gz VHBAPKGOQUDHTM-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001402127129 902367598 /nfs/dbraw/zinc/36/75/98/902367598.db2.gz VHBAPKGOQUDHTM-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001402127129 902367603 /nfs/dbraw/zinc/36/76/03/902367603.db2.gz VHBAPKGOQUDHTM-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001402127129 902367615 /nfs/dbraw/zinc/36/76/15/902367615.db2.gz VHBAPKGOQUDHTM-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402149382 902372258 /nfs/dbraw/zinc/37/22/58/902372258.db2.gz SNXJRFYBMKKUIA-RISCZKNCSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402149382 902372267 /nfs/dbraw/zinc/37/22/67/902372267.db2.gz SNXJRFYBMKKUIA-RISCZKNCSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001402177263 902379164 /nfs/dbraw/zinc/37/91/64/902379164.db2.gz AHQROSRZVOYKSP-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001402177263 902379180 /nfs/dbraw/zinc/37/91/80/902379180.db2.gz AHQROSRZVOYKSP-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001402238102 902390293 /nfs/dbraw/zinc/39/02/93/902390293.db2.gz XMLFIYVDYDMNGQ-RYUDHWBXSA-N 2 1 282.388 -0.594 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001402238102 902390307 /nfs/dbraw/zinc/39/03/07/902390307.db2.gz XMLFIYVDYDMNGQ-RYUDHWBXSA-N 2 1 282.388 -0.594 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001402238102 902390320 /nfs/dbraw/zinc/39/03/20/902390320.db2.gz XMLFIYVDYDMNGQ-RYUDHWBXSA-N 2 1 282.388 -0.594 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001402238102 902390330 /nfs/dbraw/zinc/39/03/30/902390330.db2.gz XMLFIYVDYDMNGQ-RYUDHWBXSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001402242627 902392672 /nfs/dbraw/zinc/39/26/72/902392672.db2.gz VBRWAJOGLJPXPB-QWHCGFSZSA-N 2 1 299.415 -0.284 20 0 CBADMP COC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001402290713 902413263 /nfs/dbraw/zinc/41/32/63/902413263.db2.gz MUGHGPCRPNDNBT-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NC[C@@H]([NH2+]CCO)C2CC2)no1 ZINC001402304142 902415366 /nfs/dbraw/zinc/41/53/66/902415366.db2.gz FUVFZQZKKSNCIP-CYBMUJFWSA-N 2 1 296.371 -0.174 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001402314233 902421655 /nfs/dbraw/zinc/42/16/55/902421655.db2.gz LQWPWMFQUDFWAW-QWHCGFSZSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001402314220 902422303 /nfs/dbraw/zinc/42/23/03/902422303.db2.gz LQWPWMFQUDFWAW-CHWSQXEVSA-N 2 1 296.415 -0.170 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001402446948 902450996 /nfs/dbraw/zinc/45/09/96/902450996.db2.gz ZCCDYFNPKKMPPX-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001402546742 902476495 /nfs/dbraw/zinc/47/64/95/902476495.db2.gz FCFXZLKDNPYHTR-AVGNSLFASA-N 2 1 287.404 -0.429 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001402647432 902496948 /nfs/dbraw/zinc/49/69/48/902496948.db2.gz XEYJUZBRTITBAD-TXEJJXNPSA-N 2 1 294.403 -0.108 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001402645099 902498974 /nfs/dbraw/zinc/49/89/74/902498974.db2.gz NHASUJAEDRYOHH-FRRDWIJNSA-N 2 1 296.415 -0.156 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC2(C[NH+](CCCO)C2)O1 ZINC001402677684 902502868 /nfs/dbraw/zinc/50/28/68/902502868.db2.gz FIJPXOPJHURRNM-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]CCO)CC2)C1 ZINC001402776536 902518074 /nfs/dbraw/zinc/51/80/74/902518074.db2.gz XYUITRIBVFBUPI-GFCCVEGCSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]CCO)CC2)C1 ZINC001402776536 902518081 /nfs/dbraw/zinc/51/80/81/902518081.db2.gz XYUITRIBVFBUPI-GFCCVEGCSA-N 2 1 285.388 -0.720 20 0 CBADMP 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 902521027 /nfs/dbraw/zinc/52/10/27/902521027.db2.gz OXIUTFODDHZASX-IEECTRCBSA-N 2 1 296.415 -0.493 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001402799542 902521735 /nfs/dbraw/zinc/52/17/35/902521735.db2.gz ZHTJYPNHFLSKFY-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001402843990 902534648 /nfs/dbraw/zinc/53/46/48/902534648.db2.gz LBZWSYFHRSDJJY-NSHDSACASA-N 2 1 295.387 -0.188 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001402858190 902543026 /nfs/dbraw/zinc/54/30/26/902543026.db2.gz CJQRZLFMSGQUIE-RYUDHWBXSA-N 2 1 284.404 -0.301 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001402908701 902560367 /nfs/dbraw/zinc/56/03/67/902560367.db2.gz QAFWVZOAQHTZTR-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]CCn1cncn1 ZINC001402956261 902572842 /nfs/dbraw/zinc/57/28/42/902572842.db2.gz VBOGGJLTOQJGIY-NSHDSACASA-N 2 1 291.359 -0.422 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001403032687 902599457 /nfs/dbraw/zinc/59/94/57/902599457.db2.gz JHGRJCFVOFIEMD-NEPJUHHUSA-N 2 1 286.420 -0.055 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001403075483 902607367 /nfs/dbraw/zinc/60/73/67/902607367.db2.gz KPAQRVQETLENFL-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP COC[C@@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001403070817 902608730 /nfs/dbraw/zinc/60/87/30/902608730.db2.gz PKZRSMNTDPSRBU-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001403083916 902610100 /nfs/dbraw/zinc/61/01/00/902610100.db2.gz TZFUVVBTGJKRAS-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001403145695 902627594 /nfs/dbraw/zinc/62/75/94/902627594.db2.gz UWNQTCYEPRJWDK-GXSJLCMTSA-N 2 1 280.376 -0.341 20 0 CBADMP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001403145695 902627605 /nfs/dbraw/zinc/62/76/05/902627605.db2.gz UWNQTCYEPRJWDK-GXSJLCMTSA-N 2 1 280.376 -0.341 20 0 CBADMP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)[C@@H](C)C(N)=O ZINC001403166456 902635627 /nfs/dbraw/zinc/63/56/27/902635627.db2.gz KHAIULCBJPWYHI-QWRGUYRKSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001403166456 902635634 /nfs/dbraw/zinc/63/56/34/902635634.db2.gz KHAIULCBJPWYHI-QWRGUYRKSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)NC(=O)CN(C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403209786 902648469 /nfs/dbraw/zinc/64/84/69/902648469.db2.gz ZOGNCMGPWNOVNI-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001403209786 902648477 /nfs/dbraw/zinc/64/84/77/902648477.db2.gz ZOGNCMGPWNOVNI-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001403209786 902648489 /nfs/dbraw/zinc/64/84/89/902648489.db2.gz ZOGNCMGPWNOVNI-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403209786 902648499 /nfs/dbraw/zinc/64/84/99/902648499.db2.gz ZOGNCMGPWNOVNI-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403209786 902648506 /nfs/dbraw/zinc/64/85/06/902648506.db2.gz ZOGNCMGPWNOVNI-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001403209808 902651633 /nfs/dbraw/zinc/65/16/33/902651633.db2.gz ZOGNCMGPWNOVNI-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001403209808 902651634 /nfs/dbraw/zinc/65/16/34/902651634.db2.gz ZOGNCMGPWNOVNI-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001403209808 902651637 /nfs/dbraw/zinc/65/16/37/902651637.db2.gz ZOGNCMGPWNOVNI-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403209808 902651642 /nfs/dbraw/zinc/65/16/42/902651642.db2.gz ZOGNCMGPWNOVNI-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001403224567 902652876 /nfs/dbraw/zinc/65/28/76/902652876.db2.gz PAWOXRQYMKODFK-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001403330507 902669342 /nfs/dbraw/zinc/66/93/42/902669342.db2.gz UAZHGDQXCBJVIY-PWSUYJOCSA-N 2 1 284.404 -0.362 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(=O)NC)C1 ZINC001403347756 902675841 /nfs/dbraw/zinc/67/58/41/902675841.db2.gz GVRPPZXWKZTQMK-NWDGAFQWSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(=O)NC)C1 ZINC001403347756 902675850 /nfs/dbraw/zinc/67/58/50/902675850.db2.gz GVRPPZXWKZTQMK-NWDGAFQWSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001403446899 902691870 /nfs/dbraw/zinc/69/18/70/902691870.db2.gz QDUFBFWVIOLCFZ-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001403446901 902692879 /nfs/dbraw/zinc/69/28/79/902692879.db2.gz QDUFBFWVIOLCFZ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001403452293 902693328 /nfs/dbraw/zinc/69/33/28/902693328.db2.gz IRKXBYDRHBSCCY-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403466596 902695430 /nfs/dbraw/zinc/69/54/30/902695430.db2.gz JWAAFJPACUSAPM-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CNC(=O)C[N@@H+](C)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001403466849 902695741 /nfs/dbraw/zinc/69/57/41/902695741.db2.gz KZYKDKBBJCJTBY-UHFFFAOYSA-N 2 1 293.371 -0.448 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403466590 902696556 /nfs/dbraw/zinc/69/65/56/902696556.db2.gz JWAAFJPACUSAPM-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP CC(C)NC(=O)CN(C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001403507165 902708279 /nfs/dbraw/zinc/70/82/79/902708279.db2.gz METYBMZSMQTKBX-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403522364 902712962 /nfs/dbraw/zinc/71/29/62/902712962.db2.gz IYSNXTRFBJXAAW-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001403594721 902741326 /nfs/dbraw/zinc/74/13/26/902741326.db2.gz JBQKNYCPUDEEMR-SRVKXCTJSA-N 2 1 284.404 -0.362 20 0 CBADMP C[N@@H+](CCNC(=O)C1CC1)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001403644796 902769332 /nfs/dbraw/zinc/76/93/32/902769332.db2.gz WXVFYBXFVPVUFD-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](CCNC(=O)C1CC1)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001403644796 902769344 /nfs/dbraw/zinc/76/93/44/902769344.db2.gz WXVFYBXFVPVUFD-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](CCNC(=O)C1CC1)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001403644796 902769352 /nfs/dbraw/zinc/76/93/52/902769352.db2.gz WXVFYBXFVPVUFD-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CCN1CC[C@H]([N@H+](C)CCNC(=O)CCC[NH+](C)C)C1=O ZINC001403674372 902793281 /nfs/dbraw/zinc/79/32/81/902793281.db2.gz SAVBLWLAIVWCPR-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN1CC[C@H]([N@@H+](C)CCNC(=O)CCC[NH+](C)C)C1=O ZINC001403674372 902793286 /nfs/dbraw/zinc/79/32/86/902793286.db2.gz SAVBLWLAIVWCPR-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001403782667 902846770 /nfs/dbraw/zinc/84/67/70/902846770.db2.gz PSORZNHCYJHRQV-CMPLNLGQSA-N 2 1 293.371 -0.483 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H](C)C(N)=O ZINC001403825283 902861505 /nfs/dbraw/zinc/86/15/05/902861505.db2.gz MWKRVPVZLXDORC-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H](C)C(N)=O ZINC001403825283 902861512 /nfs/dbraw/zinc/86/15/12/902861512.db2.gz MWKRVPVZLXDORC-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C)C(N)=O ZINC001403825283 902861518 /nfs/dbraw/zinc/86/15/18/902861518.db2.gz MWKRVPVZLXDORC-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@H](C)C(N)=O ZINC001403825283 902861528 /nfs/dbraw/zinc/86/15/28/902861528.db2.gz MWKRVPVZLXDORC-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001403969448 902918492 /nfs/dbraw/zinc/91/84/92/902918492.db2.gz TUOXCQNJQKEUMT-VXGBXAGGSA-N 2 1 298.431 -0.053 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001404004262 902923584 /nfs/dbraw/zinc/92/35/84/902923584.db2.gz KPAGODZNURUSFH-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001404012230 902926489 /nfs/dbraw/zinc/92/64/89/902926489.db2.gz BPXMXNAXYJNBOS-HIFPTAJRSA-N 2 1 296.415 -0.347 20 0 CBADMP NC(=O)C[N@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001404106489 902937381 /nfs/dbraw/zinc/93/73/81/902937381.db2.gz RBVWERPWVOIKTJ-CYBMUJFWSA-N 2 1 296.415 -0.214 20 0 CBADMP O=C(C[NH+]1CCCC1)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001404307714 902967024 /nfs/dbraw/zinc/96/70/24/902967024.db2.gz IDKUAQLOFPXZRF-ZDUSSCGKSA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(C[NH+]1CCCC1)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001404307714 902967033 /nfs/dbraw/zinc/96/70/33/902967033.db2.gz IDKUAQLOFPXZRF-ZDUSSCGKSA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001404329525 902972754 /nfs/dbraw/zinc/97/27/54/902972754.db2.gz TXFHHKKLIPJCEZ-SRVKXCTJSA-N 2 1 284.404 -0.362 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001404325041 902974002 /nfs/dbraw/zinc/97/40/02/902974002.db2.gz QPDAVFBFVPKHIA-LLVKDONJSA-N 2 1 279.344 -0.872 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001458769795 914679209 /nfs/dbraw/zinc/67/92/09/914679209.db2.gz RJSWPNKVGWVDJB-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001404519092 902995919 /nfs/dbraw/zinc/99/59/19/902995919.db2.gz PBPUVLVIPZYJBT-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001404519092 902995925 /nfs/dbraw/zinc/99/59/25/902995925.db2.gz PBPUVLVIPZYJBT-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001404519092 902995933 /nfs/dbraw/zinc/99/59/33/902995933.db2.gz PBPUVLVIPZYJBT-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC(N)=O)C1 ZINC001404610652 903003537 /nfs/dbraw/zinc/00/35/37/903003537.db2.gz ZGYXBXLOFFQAGS-LBPRGKRZSA-N 2 1 284.404 -0.408 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001404610652 903003549 /nfs/dbraw/zinc/00/35/49/903003549.db2.gz ZGYXBXLOFFQAGS-LBPRGKRZSA-N 2 1 284.404 -0.408 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001404610652 903003563 /nfs/dbraw/zinc/00/35/63/903003563.db2.gz ZGYXBXLOFFQAGS-LBPRGKRZSA-N 2 1 284.404 -0.408 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001404898965 903050070 /nfs/dbraw/zinc/05/00/70/903050070.db2.gz BGVADWZKAVHBDS-SNVBAGLBSA-N 2 1 270.377 -0.879 20 0 CBADMP COC[C@H](O)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001404917866 903053847 /nfs/dbraw/zinc/05/38/47/903053847.db2.gz DAPCAWXHCFTIIO-GXTWGEPZSA-N 2 1 299.415 -0.617 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001404927144 903054076 /nfs/dbraw/zinc/05/40/76/903054076.db2.gz YVUZUJUVGWZMEH-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001404927144 903054086 /nfs/dbraw/zinc/05/40/86/903054086.db2.gz YVUZUJUVGWZMEH-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001404927146 903056976 /nfs/dbraw/zinc/05/69/76/903056976.db2.gz YVUZUJUVGWZMEH-WCQYABFASA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001404927146 903056989 /nfs/dbraw/zinc/05/69/89/903056989.db2.gz YVUZUJUVGWZMEH-WCQYABFASA-N 2 1 296.415 -0.360 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001405040385 903072901 /nfs/dbraw/zinc/07/29/01/903072901.db2.gz PLEMBAQCJVUMKX-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001405040385 903072913 /nfs/dbraw/zinc/07/29/13/903072913.db2.gz PLEMBAQCJVUMKX-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001405040385 903072928 /nfs/dbraw/zinc/07/29/28/903072928.db2.gz PLEMBAQCJVUMKX-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001405040385 903072939 /nfs/dbraw/zinc/07/29/39/903072939.db2.gz PLEMBAQCJVUMKX-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001405304996 903141702 /nfs/dbraw/zinc/14/17/02/903141702.db2.gz MYUXHDIKEWIONM-LLVKDONJSA-N 2 1 286.420 -0.066 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)[NH2+]CC(N)=O ZINC001405362290 903155535 /nfs/dbraw/zinc/15/55/35/903155535.db2.gz GFYXYYXTLRKWGE-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(N)=O ZINC001405626136 903191605 /nfs/dbraw/zinc/19/16/05/903191605.db2.gz VWEPGTORLCZIEV-CMPLNLGQSA-N 2 1 293.371 -0.354 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001405748932 903212766 /nfs/dbraw/zinc/21/27/66/903212766.db2.gz ZUDWTOQQDPZGDB-NSHDSACASA-N 2 1 295.387 -0.330 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001405792768 903221678 /nfs/dbraw/zinc/22/16/78/903221678.db2.gz RAPMBVUEORJVGX-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001405824514 903228742 /nfs/dbraw/zinc/22/87/42/903228742.db2.gz ZCXWPQUDUVZKCG-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001405849890 903237169 /nfs/dbraw/zinc/23/71/69/903237169.db2.gz OPKGHHDLRHULQE-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001405893989 903246874 /nfs/dbraw/zinc/24/68/74/903246874.db2.gz PJMIHURBQXBQIT-ZJUUUORDSA-N 2 1 281.360 -0.498 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001406060627 903259538 /nfs/dbraw/zinc/25/95/38/903259538.db2.gz CLGINTDEQUGSLV-GHMZBOCLSA-N 2 1 270.377 -0.846 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]([NH2+][C@@H]1CCNC1=O)C(C)C ZINC001406073312 903264763 /nfs/dbraw/zinc/26/47/63/903264763.db2.gz NNURWCFGODJMQM-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001406103925 903270171 /nfs/dbraw/zinc/27/01/71/903270171.db2.gz KZAXWLMTDYWUGF-NSHDSACASA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001406103925 903270179 /nfs/dbraw/zinc/27/01/79/903270179.db2.gz KZAXWLMTDYWUGF-NSHDSACASA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001406104486 903270679 /nfs/dbraw/zinc/27/06/79/903270679.db2.gz AZELVJCJGUBWQY-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001406104486 903270693 /nfs/dbraw/zinc/27/06/93/903270693.db2.gz AZELVJCJGUBWQY-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001406154798 903280846 /nfs/dbraw/zinc/28/08/46/903280846.db2.gz QOILXWZKBUNWLX-NEPJUHHUSA-N 2 1 286.420 -0.163 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001406154798 903280853 /nfs/dbraw/zinc/28/08/53/903280853.db2.gz QOILXWZKBUNWLX-NEPJUHHUSA-N 2 1 286.420 -0.163 20 0 CBADMP Cc1nnc(CNC[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001406197753 903294684 /nfs/dbraw/zinc/29/46/84/903294684.db2.gz AINKUDFKAVVQPC-MNOVXSKESA-N 2 1 297.359 -0.961 20 0 CBADMP Cc1nnc(CNC[C@@H](O)CNC(=O)[C@@H]2CCCN2C)o1 ZINC001406197753 903294698 /nfs/dbraw/zinc/29/46/98/903294698.db2.gz AINKUDFKAVVQPC-MNOVXSKESA-N 2 1 297.359 -0.961 20 0 CBADMP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)on1 ZINC001406281737 903337748 /nfs/dbraw/zinc/33/77/48/903337748.db2.gz HWYGPMDGYBMLRQ-NEPJUHHUSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)on1 ZINC001406281761 903338602 /nfs/dbraw/zinc/33/86/02/903338602.db2.gz HWYGPMDGYBMLRQ-VXGBXAGGSA-N 2 1 296.371 -0.499 20 0 CBADMP C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)CCc1cnc[nH]1 ZINC001406293064 903341699 /nfs/dbraw/zinc/34/16/99/903341699.db2.gz BBUYVNJTNVMMIK-ZYHUDNBSSA-N 2 1 293.371 -0.285 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406301044 903347842 /nfs/dbraw/zinc/34/78/42/903347842.db2.gz ADCSSRBBMGSKOR-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1nnnn1C)[NH+](C)C ZINC001406406588 903392436 /nfs/dbraw/zinc/39/24/36/903392436.db2.gz UVFAONBIWIHPBR-MXWKQRLJSA-N 2 1 297.407 -0.294 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001406545020 903429359 /nfs/dbraw/zinc/42/93/59/903429359.db2.gz MOEYPUXRIKEVBG-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001406545020 903429371 /nfs/dbraw/zinc/42/93/71/903429371.db2.gz MOEYPUXRIKEVBG-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001406543388 903430445 /nfs/dbraw/zinc/43/04/45/903430445.db2.gz JDBIOKJVGFOLOC-AVGNSLFASA-N 2 1 287.404 -0.570 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnnn1C ZINC001406552095 903430607 /nfs/dbraw/zinc/43/06/07/903430607.db2.gz ZTEUVAOMFOAXOC-WDEREUQCSA-N 2 1 297.407 -0.293 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnnn1C ZINC001406552095 903430612 /nfs/dbraw/zinc/43/06/12/903430612.db2.gz ZTEUVAOMFOAXOC-WDEREUQCSA-N 2 1 297.407 -0.293 20 0 CBADMP C[C@@H](C[NH2+]Cc1nccn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406562027 903433692 /nfs/dbraw/zinc/43/36/92/903433692.db2.gz PEDVZXMVLOTRLU-NWDGAFQWSA-N 2 1 279.388 -0.034 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001406585485 903439255 /nfs/dbraw/zinc/43/92/55/903439255.db2.gz MVDHFPXVLZGZJH-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001406585485 903439265 /nfs/dbraw/zinc/43/92/65/903439265.db2.gz MVDHFPXVLZGZJH-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001406585485 903439273 /nfs/dbraw/zinc/43/92/73/903439273.db2.gz MVDHFPXVLZGZJH-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001406585485 903439284 /nfs/dbraw/zinc/43/92/84/903439284.db2.gz MVDHFPXVLZGZJH-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001406590687 903444387 /nfs/dbraw/zinc/44/43/87/903444387.db2.gz YZCAOPMJUGSJSM-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001406590687 903444401 /nfs/dbraw/zinc/44/44/01/903444401.db2.gz YZCAOPMJUGSJSM-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001406590687 903444407 /nfs/dbraw/zinc/44/44/07/903444407.db2.gz YZCAOPMJUGSJSM-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001406590687 903444419 /nfs/dbraw/zinc/44/44/19/903444419.db2.gz YZCAOPMJUGSJSM-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001406695886 903466253 /nfs/dbraw/zinc/46/62/53/903466253.db2.gz OROJLKAXPZGXSJ-NWDGAFQWSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001406695886 903466263 /nfs/dbraw/zinc/46/62/63/903466263.db2.gz OROJLKAXPZGXSJ-NWDGAFQWSA-N 2 1 286.420 -0.149 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001406986290 903524521 /nfs/dbraw/zinc/52/45/21/903524521.db2.gz HRUHYWOIIQKNHI-WDEREUQCSA-N 2 1 282.388 -0.560 20 0 CBADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001406990118 903525563 /nfs/dbraw/zinc/52/55/63/903525563.db2.gz SICBUZMRAARPLC-STQMWFEESA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001406987453 903525851 /nfs/dbraw/zinc/52/58/51/903525851.db2.gz UZOQXNOOAKWDJN-NSHDSACASA-N 2 1 282.388 -0.545 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@]2(O)CC[N@H+](CCF)C2)CCC1 ZINC001407340021 903573672 /nfs/dbraw/zinc/57/36/72/903573672.db2.gz AQFXBOLSIGQILV-CYBMUJFWSA-N 2 1 287.379 -0.007 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)CCC1 ZINC001407340021 903573683 /nfs/dbraw/zinc/57/36/83/903573683.db2.gz AQFXBOLSIGQILV-CYBMUJFWSA-N 2 1 287.379 -0.007 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1(O)CN(C[C@H]2CCOC2)C1 ZINC001407485295 903618859 /nfs/dbraw/zinc/61/88/59/903618859.db2.gz ZOBUITJKUUBWIH-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001407485295 903618867 /nfs/dbraw/zinc/61/88/67/903618867.db2.gz ZOBUITJKUUBWIH-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001407485295 903618873 /nfs/dbraw/zinc/61/88/73/903618873.db2.gz ZOBUITJKUUBWIH-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H]1CN(CCO)CCO1)C1CCC1 ZINC001407488645 903620088 /nfs/dbraw/zinc/62/00/88/903620088.db2.gz KAABHHGHZGGNPN-CYBMUJFWSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001407789101 903658997 /nfs/dbraw/zinc/65/89/97/903658997.db2.gz ZJZUHHBXGHQUOL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001407831138 903665721 /nfs/dbraw/zinc/66/57/21/903665721.db2.gz PQYQKYIVSNMRMG-LLVKDONJSA-N 2 1 282.388 -0.687 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001407831143 903665992 /nfs/dbraw/zinc/66/59/92/903665992.db2.gz PQYQKYIVSNMRMG-NSHDSACASA-N 2 1 282.388 -0.687 20 0 CBADMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001407921617 903678492 /nfs/dbraw/zinc/67/84/92/903678492.db2.gz PPKUHMCGUKHSRH-NSHDSACASA-N 2 1 272.393 -0.408 20 0 CBADMP CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001407927096 903680446 /nfs/dbraw/zinc/68/04/46/903680446.db2.gz QKWHOXSLBVGMCE-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CCC[NH+](C)CCO)C1 ZINC001407954567 903684245 /nfs/dbraw/zinc/68/42/45/903684245.db2.gz JEHAUIBUCABJIF-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CCC[NH+](C)CCO)C1 ZINC001407954567 903684253 /nfs/dbraw/zinc/68/42/53/903684253.db2.gz JEHAUIBUCABJIF-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)CCC[N@H+](C)CCO)C1 ZINC001407954567 903684260 /nfs/dbraw/zinc/68/42/60/903684260.db2.gz JEHAUIBUCABJIF-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)CCC[N@@H+](C)CCO)C1 ZINC001407954567 903684267 /nfs/dbraw/zinc/68/42/67/903684267.db2.gz JEHAUIBUCABJIF-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001408078652 903706378 /nfs/dbraw/zinc/70/63/78/903706378.db2.gz QHJAMQDUKCKDSJ-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001408078650 903706434 /nfs/dbraw/zinc/70/64/34/903706434.db2.gz QHJAMQDUKCKDSJ-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC(N)=O ZINC001408155071 903720586 /nfs/dbraw/zinc/72/05/86/903720586.db2.gz FZZVKMIXDTZENV-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC(N)=O ZINC001408155071 903720593 /nfs/dbraw/zinc/72/05/93/903720593.db2.gz FZZVKMIXDTZENV-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001408173092 903723825 /nfs/dbraw/zinc/72/38/25/903723825.db2.gz HERBWNLZRAVULX-AVGNSLFASA-N 2 1 287.404 -0.428 20 0 CBADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001408212242 903732646 /nfs/dbraw/zinc/73/26/46/903732646.db2.gz PQSHEYBIHCZOQR-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP C[NH+](C)CCC(=O)N1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001409130375 903856779 /nfs/dbraw/zinc/85/67/79/903856779.db2.gz JMWPJFUHSYCWGZ-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CCn1cncn1 ZINC001409618159 903943313 /nfs/dbraw/zinc/94/33/13/903943313.db2.gz BVLNUUOTMVYYTK-LBPRGKRZSA-N 2 1 282.392 -0.334 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001409958791 903989561 /nfs/dbraw/zinc/98/95/61/903989561.db2.gz AZXJXKMMEVUIKC-AAEUAGOBSA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001409958791 903989576 /nfs/dbraw/zinc/98/95/76/903989576.db2.gz AZXJXKMMEVUIKC-AAEUAGOBSA-N 2 1 296.415 -0.348 20 0 CBADMP CNC(=O)C[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001410245610 904051642 /nfs/dbraw/zinc/05/16/42/904051642.db2.gz BKWSCNKFXSVSRQ-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001410340253 904074306 /nfs/dbraw/zinc/07/43/06/904074306.db2.gz HBPGJABLLKMRDZ-YPMHNXCESA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001410340253 904074324 /nfs/dbraw/zinc/07/43/24/904074324.db2.gz HBPGJABLLKMRDZ-YPMHNXCESA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001410392353 904086074 /nfs/dbraw/zinc/08/60/74/904086074.db2.gz KBVBYNHFXBCFGB-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)C[NH+]1CCCC1 ZINC001410376519 904086250 /nfs/dbraw/zinc/08/62/50/904086250.db2.gz ZOUMOEJNQDZANH-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001410502224 904110334 /nfs/dbraw/zinc/11/03/34/904110334.db2.gz RXGVZJXTCVMYAQ-MNOVXSKESA-N 2 1 295.391 -0.902 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001410502224 904110340 /nfs/dbraw/zinc/11/03/40/904110340.db2.gz RXGVZJXTCVMYAQ-MNOVXSKESA-N 2 1 295.391 -0.902 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001410526826 904112303 /nfs/dbraw/zinc/11/23/03/904112303.db2.gz XUOYZWSQLFPNFI-GHMZBOCLSA-N 2 1 272.393 -0.363 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC2CCC2)C1 ZINC001410589195 904137540 /nfs/dbraw/zinc/13/75/40/904137540.db2.gz YAMOQECRUXKRBG-OLZOCXBDSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC2CCC2)C1 ZINC001410589195 904137544 /nfs/dbraw/zinc/13/75/44/904137544.db2.gz YAMOQECRUXKRBG-OLZOCXBDSA-N 2 1 285.388 -0.816 20 0 CBADMP CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001410788795 904186952 /nfs/dbraw/zinc/18/69/52/904186952.db2.gz OHYXIPVWKAZKND-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001410788795 904186959 /nfs/dbraw/zinc/18/69/59/904186959.db2.gz OHYXIPVWKAZKND-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP Cc1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001410797717 904187939 /nfs/dbraw/zinc/18/79/39/904187939.db2.gz ZNZNSFZIPGBXAP-RYUDHWBXSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001410797717 904187944 /nfs/dbraw/zinc/18/79/44/904187944.db2.gz ZNZNSFZIPGBXAP-RYUDHWBXSA-N 2 1 296.371 -0.499 20 0 CBADMP C[NH+](C)CCC(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001410825837 904191767 /nfs/dbraw/zinc/19/17/67/904191767.db2.gz OWBMXSJAIULCBG-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001411137029 904238657 /nfs/dbraw/zinc/23/86/57/904238657.db2.gz JMGSISWCXGQSEA-AAEUAGOBSA-N 2 1 296.371 -0.465 20 0 CBADMP CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001411137029 904238673 /nfs/dbraw/zinc/23/86/73/904238673.db2.gz JMGSISWCXGQSEA-AAEUAGOBSA-N 2 1 296.371 -0.465 20 0 CBADMP COCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@@H](C)O ZINC001411213303 904262500 /nfs/dbraw/zinc/26/25/00/904262500.db2.gz FOUNOMRFKVDCTH-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C[C@@H](C)O ZINC001411213303 904262512 /nfs/dbraw/zinc/26/25/12/904262512.db2.gz FOUNOMRFKVDCTH-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C[C@@H](C)O ZINC001411213303 904262522 /nfs/dbraw/zinc/26/25/22/904262522.db2.gz FOUNOMRFKVDCTH-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)N(C)C(=O)CC[NH+](C)C ZINC001411506544 904309955 /nfs/dbraw/zinc/30/99/55/904309955.db2.gz FNDHWTOVJRBFFF-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+]1CCN(CCNC(=O)CC[N@H+]2CC[C@@H](F)C2)CC1 ZINC001411619102 904325624 /nfs/dbraw/zinc/32/56/24/904325624.db2.gz QKGMBNJHZHFEEA-CYBMUJFWSA-N 2 1 286.395 -0.216 20 0 CBADMP CC[N@@H+]1CC[C@@H]1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC001412532187 904609938 /nfs/dbraw/zinc/60/99/38/904609938.db2.gz LHBDFHGGMLEEMZ-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP CC[N@H+]1CC[C@@H]1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC001412532187 904609943 /nfs/dbraw/zinc/60/99/43/904609943.db2.gz LHBDFHGGMLEEMZ-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP 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 904815942 /nfs/dbraw/zinc/81/59/42/904815942.db2.gz JFFQGQWRVBRZID-OKWIKPQFSA-N 2 1 281.400 -0.150 20 0 CBADMP CC[N@@H+](C)[C@H]1CCN(C[C@@H](O)C[NH+](C)CCOC)C1 ZINC001460993486 914848804 /nfs/dbraw/zinc/84/88/04/914848804.db2.gz TXQJKEUROUCWTO-KBPBESRZSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+](C)[C@H]1CCN(C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC001460993486 914848822 /nfs/dbraw/zinc/84/88/22/914848822.db2.gz TXQJKEUROUCWTO-KBPBESRZSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+](C)[C@H]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC001460993486 914848843 /nfs/dbraw/zinc/84/88/43/914848843.db2.gz TXQJKEUROUCWTO-KBPBESRZSA-N 2 1 273.421 -0.049 20 0 CBADMP CC(C)(O)[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001413029833 904876351 /nfs/dbraw/zinc/87/63/51/904876351.db2.gz GWHYNGSZFACIBF-CHWSQXEVSA-N 2 1 272.389 -0.351 20 0 CBADMP CC(C)(O)[C@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001413029833 904876365 /nfs/dbraw/zinc/87/63/65/904876365.db2.gz GWHYNGSZFACIBF-CHWSQXEVSA-N 2 1 272.389 -0.351 20 0 CBADMP C[C@@H](O)[C@@H](CO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001413155509 904937511 /nfs/dbraw/zinc/93/75/11/904937511.db2.gz JKAUBSIQUDKEOE-DGCLKSJQSA-N 2 1 295.387 -0.940 20 0 CBADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001413240409 904978811 /nfs/dbraw/zinc/97/88/11/904978811.db2.gz WGXRNHAFHSVIQE-TXEJJXNPSA-N 2 1 282.388 -0.763 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001416022779 905694421 /nfs/dbraw/zinc/69/44/21/905694421.db2.gz MCLGTUIVTKNVNP-UHFFFAOYSA-N 2 1 293.371 -0.530 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001416939220 905841963 /nfs/dbraw/zinc/84/19/63/905841963.db2.gz GDDATNVFWJOKLV-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001417944799 906118638 /nfs/dbraw/zinc/11/86/38/906118638.db2.gz TXXZDPSMPLJGOU-CYBMUJFWSA-N 2 1 285.388 -0.718 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001417944799 906118652 /nfs/dbraw/zinc/11/86/52/906118652.db2.gz TXXZDPSMPLJGOU-CYBMUJFWSA-N 2 1 285.388 -0.718 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]([NH2+][C@H](C)C(N)=O)C1CC1 ZINC001417989289 906131339 /nfs/dbraw/zinc/13/13/39/906131339.db2.gz OJWFIJSOXGBZHQ-PWSUYJOCSA-N 2 1 293.371 -0.450 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]([NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001417989287 906132049 /nfs/dbraw/zinc/13/20/49/906132049.db2.gz OJWFIJSOXGBZHQ-JQWIXIFHSA-N 2 1 293.371 -0.450 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001418007893 906134095 /nfs/dbraw/zinc/13/40/95/906134095.db2.gz BXGZWFFUCJGOAQ-CMPLNLGQSA-N 2 1 282.388 -0.702 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001418043553 906145716 /nfs/dbraw/zinc/14/57/16/906145716.db2.gz CEYUXYQPDXCLSA-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001418052099 906147663 /nfs/dbraw/zinc/14/76/63/906147663.db2.gz VDGBOBVIDWPAJF-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001418108283 906172663 /nfs/dbraw/zinc/17/26/63/906172663.db2.gz HIEIEDHTZZFBBW-TXEJJXNPSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001418144390 906179271 /nfs/dbraw/zinc/17/92/71/906179271.db2.gz NZGVSHVXRIBGLB-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP CCn1nncc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001418209962 906208559 /nfs/dbraw/zinc/20/85/59/906208559.db2.gz FTBYIQRTZDMSMX-YPMHNXCESA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1nncc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001418209961 906210269 /nfs/dbraw/zinc/21/02/69/906210269.db2.gz FTBYIQRTZDMSMX-WCQYABFASA-N 2 1 294.403 -0.014 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001418232072 906228092 /nfs/dbraw/zinc/22/80/92/906228092.db2.gz BRKQOXIHIZKKHH-GHMZBOCLSA-N 2 1 284.404 -0.301 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001418284538 906256829 /nfs/dbraw/zinc/25/68/29/906256829.db2.gz OJJSNJFBCDJDDN-MNOVXSKESA-N 2 1 295.387 -0.025 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418433589 906320303 /nfs/dbraw/zinc/32/03/03/906320303.db2.gz SGMYJJBAWCXWIF-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001418461387 906345577 /nfs/dbraw/zinc/34/55/77/906345577.db2.gz OSPNLNXQDQCVIG-UTUOFQBUSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001418461387 906345593 /nfs/dbraw/zinc/34/55/93/906345593.db2.gz OSPNLNXQDQCVIG-UTUOFQBUSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001418461387 906345603 /nfs/dbraw/zinc/34/56/03/906345603.db2.gz OSPNLNXQDQCVIG-UTUOFQBUSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001418461387 906345613 /nfs/dbraw/zinc/34/56/13/906345613.db2.gz OSPNLNXQDQCVIG-UTUOFQBUSA-N 2 1 284.404 -0.362 20 0 CBADMP CCCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001418519830 906383123 /nfs/dbraw/zinc/38/31/23/906383123.db2.gz OGEOBNMFEXKEEM-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001418519830 906383136 /nfs/dbraw/zinc/38/31/36/906383136.db2.gz OGEOBNMFEXKEEM-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001418519830 906383153 /nfs/dbraw/zinc/38/31/53/906383153.db2.gz OGEOBNMFEXKEEM-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418519830 906383168 /nfs/dbraw/zinc/38/31/68/906383168.db2.gz OGEOBNMFEXKEEM-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@H](O)COC ZINC001418538486 906398748 /nfs/dbraw/zinc/39/87/48/906398748.db2.gz DPXURAFTLZUJQH-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C[C@H](O)COC ZINC001418538486 906398766 /nfs/dbraw/zinc/39/87/66/906398766.db2.gz DPXURAFTLZUJQH-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C[C@H](O)COC ZINC001418538486 906398783 /nfs/dbraw/zinc/39/87/83/906398783.db2.gz DPXURAFTLZUJQH-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001418548137 906404441 /nfs/dbraw/zinc/40/44/41/906404441.db2.gz MWVNBQFVEFADBS-GFCCVEGCSA-N 2 1 282.388 -0.748 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001418548137 906404446 /nfs/dbraw/zinc/40/44/46/906404446.db2.gz MWVNBQFVEFADBS-GFCCVEGCSA-N 2 1 282.388 -0.748 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)[C@@H]1CCNC1=O ZINC001418564240 906412281 /nfs/dbraw/zinc/41/22/81/906412281.db2.gz DAAVYONLMIEKBW-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001418590862 906419461 /nfs/dbraw/zinc/41/94/61/906419461.db2.gz AMZFPMWCFQSXFP-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001418681812 906445434 /nfs/dbraw/zinc/44/54/34/906445434.db2.gz GZYZHTDQPLUXKB-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001418681812 906445444 /nfs/dbraw/zinc/44/54/44/906445444.db2.gz GZYZHTDQPLUXKB-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001418681812 906445451 /nfs/dbraw/zinc/44/54/51/906445451.db2.gz GZYZHTDQPLUXKB-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001418692118 906449248 /nfs/dbraw/zinc/44/92/48/906449248.db2.gz RNCDNGRZMSAGOT-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001418692118 906449264 /nfs/dbraw/zinc/44/92/64/906449264.db2.gz RNCDNGRZMSAGOT-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001418692118 906449269 /nfs/dbraw/zinc/44/92/69/906449269.db2.gz RNCDNGRZMSAGOT-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CCOC ZINC001418707984 906455347 /nfs/dbraw/zinc/45/53/47/906455347.db2.gz FIFZFRQFDKZHSI-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CCOC ZINC001418707984 906455354 /nfs/dbraw/zinc/45/53/54/906455354.db2.gz FIFZFRQFDKZHSI-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CCOC ZINC001418707984 906455360 /nfs/dbraw/zinc/45/53/60/906455360.db2.gz FIFZFRQFDKZHSI-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CCOC ZINC001418707984 906455365 /nfs/dbraw/zinc/45/53/65/906455365.db2.gz FIFZFRQFDKZHSI-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001418798120 906477104 /nfs/dbraw/zinc/47/71/04/906477104.db2.gz OQJJFHIZAFZMDF-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001418798120 906477122 /nfs/dbraw/zinc/47/71/22/906477122.db2.gz OQJJFHIZAFZMDF-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001418798120 906477131 /nfs/dbraw/zinc/47/71/31/906477131.db2.gz OQJJFHIZAFZMDF-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001418798120 906477147 /nfs/dbraw/zinc/47/71/47/906477147.db2.gz OQJJFHIZAFZMDF-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001418825939 906488958 /nfs/dbraw/zinc/48/89/58/906488958.db2.gz IKJBGMBRCPQHTR-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC ZINC001418833355 906490482 /nfs/dbraw/zinc/49/04/82/906490482.db2.gz UPGWTKRRKSIKSO-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418899084 906507351 /nfs/dbraw/zinc/50/73/51/906507351.db2.gz ASSRMDQGLAPMTC-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418905465 906508039 /nfs/dbraw/zinc/50/80/39/906508039.db2.gz SCWAUKVVZYRSRT-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001418934850 906519751 /nfs/dbraw/zinc/51/97/51/906519751.db2.gz MFABOODNRZANMX-CHWSQXEVSA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001418934850 906519760 /nfs/dbraw/zinc/51/97/60/906519760.db2.gz MFABOODNRZANMX-CHWSQXEVSA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001418934850 906519774 /nfs/dbraw/zinc/51/97/74/906519774.db2.gz MFABOODNRZANMX-CHWSQXEVSA-N 2 1 296.415 -0.406 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001419064318 906584846 /nfs/dbraw/zinc/58/48/46/906584846.db2.gz ZSFGRZFXNIIEQG-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001419064318 906584853 /nfs/dbraw/zinc/58/48/53/906584853.db2.gz ZSFGRZFXNIIEQG-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001419064318 906584860 /nfs/dbraw/zinc/58/48/60/906584860.db2.gz ZSFGRZFXNIIEQG-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001419064318 906584869 /nfs/dbraw/zinc/58/48/69/906584869.db2.gz ZSFGRZFXNIIEQG-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001419069783 906586465 /nfs/dbraw/zinc/58/64/65/906586465.db2.gz FVPYNNUEECSIID-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001419069783 906586476 /nfs/dbraw/zinc/58/64/76/906586476.db2.gz FVPYNNUEECSIID-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001419069783 906586485 /nfs/dbraw/zinc/58/64/85/906586485.db2.gz FVPYNNUEECSIID-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001419069783 906586496 /nfs/dbraw/zinc/58/64/96/906586496.db2.gz FVPYNNUEECSIID-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001419080382 906590637 /nfs/dbraw/zinc/59/06/37/906590637.db2.gz GHJLMWPFEFPNBT-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001419080382 906590647 /nfs/dbraw/zinc/59/06/47/906590647.db2.gz GHJLMWPFEFPNBT-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001419080382 906590657 /nfs/dbraw/zinc/59/06/57/906590657.db2.gz GHJLMWPFEFPNBT-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001419080382 906590670 /nfs/dbraw/zinc/59/06/70/906590670.db2.gz GHJLMWPFEFPNBT-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C(=O)CC[NH+]1CCOCC1)C1CC[NH+](CCO)CC1 ZINC001419076907 906592792 /nfs/dbraw/zinc/59/27/92/906592792.db2.gz GZXAUYJNUGKYFK-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001419144138 906612640 /nfs/dbraw/zinc/61/26/40/906612640.db2.gz YFNRJGVORPPBBO-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001419144138 906612645 /nfs/dbraw/zinc/61/26/45/906612645.db2.gz YFNRJGVORPPBBO-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001419144138 906612650 /nfs/dbraw/zinc/61/26/50/906612650.db2.gz YFNRJGVORPPBBO-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001419144138 906612654 /nfs/dbraw/zinc/61/26/54/906612654.db2.gz YFNRJGVORPPBBO-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+][C@@H](C)C(=O)NC ZINC001419224597 906640433 /nfs/dbraw/zinc/64/04/33/906640433.db2.gz VKXPTKUDQLURIZ-NWDGAFQWSA-N 2 1 295.387 -0.190 20 0 CBADMP CC[C@@H]([NH2+][C@@H](CC)CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001419287419 906659545 /nfs/dbraw/zinc/65/95/45/906659545.db2.gz QJYUMAGZXIVYNN-NWDGAFQWSA-N 2 1 295.387 -0.060 20 0 CBADMP 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 906676912 /nfs/dbraw/zinc/67/69/12/906676912.db2.gz MXHOTVISAVLMQR-FDYHWXHSSA-N 2 1 296.415 -0.348 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001419421165 906682373 /nfs/dbraw/zinc/68/23/73/906682373.db2.gz BUKJPBOCARLDRC-SRVKXCTJSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001419465066 906695055 /nfs/dbraw/zinc/69/50/55/906695055.db2.gz DDYZTOGIXOMTFM-GHMZBOCLSA-N 2 1 284.404 -0.314 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001419476693 906701321 /nfs/dbraw/zinc/70/13/21/906701321.db2.gz UQOKZYBVJUEVNB-TXEJJXNPSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]CC(=O)N(C)C ZINC001419490139 906705871 /nfs/dbraw/zinc/70/58/71/906705871.db2.gz YFRGUXYMZGWPEW-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001419509611 906709169 /nfs/dbraw/zinc/70/91/69/906709169.db2.gz NMPWSYZSBYJULB-SDDRHHMPSA-N 2 1 282.388 -0.689 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001419532211 906715659 /nfs/dbraw/zinc/71/56/59/906715659.db2.gz AWHUNINTRGNQGV-UWVGGRQHSA-N 2 1 281.360 -0.593 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001419572063 906731238 /nfs/dbraw/zinc/73/12/38/906731238.db2.gz WNFPRYNWIOULPJ-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001419572063 906731245 /nfs/dbraw/zinc/73/12/45/906731245.db2.gz WNFPRYNWIOULPJ-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@@H+](CC(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001419603482 906740379 /nfs/dbraw/zinc/74/03/79/906740379.db2.gz YKNPOQHULGVVHR-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP CNC(=O)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001419683932 906764388 /nfs/dbraw/zinc/76/43/88/906764388.db2.gz QICHANAOQFQKFZ-HIFPTAJRSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001419680282 906764466 /nfs/dbraw/zinc/76/44/66/906764466.db2.gz FSSADUPVGBVBKT-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001419712069 906778631 /nfs/dbraw/zinc/77/86/31/906778631.db2.gz DZBUDGIOBBRKPS-RYUDHWBXSA-N 2 1 280.376 -0.533 20 0 CBADMP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001419714301 906779280 /nfs/dbraw/zinc/77/92/80/906779280.db2.gz SFTFJXUURYAVHA-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001419736746 906793359 /nfs/dbraw/zinc/79/33/59/906793359.db2.gz ALPJQOQCAYKAAB-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001419765931 906806491 /nfs/dbraw/zinc/80/64/91/906806491.db2.gz AJSRXYIOJPMFID-OLZOCXBDSA-N 2 1 294.403 -0.143 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001419765940 906808671 /nfs/dbraw/zinc/80/86/71/906808671.db2.gz AJSRXYIOJPMFID-STQMWFEESA-N 2 1 294.403 -0.143 20 0 CBADMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1nncn1C ZINC001419776118 906810450 /nfs/dbraw/zinc/81/04/50/906810450.db2.gz NTFXCZZECGIFQA-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1nnnn1C ZINC001419771970 906811663 /nfs/dbraw/zinc/81/16/63/906811663.db2.gz JWNRURUMNWVULW-JTQLQIEISA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1nncn1C ZINC001419776116 906812349 /nfs/dbraw/zinc/81/23/49/906812349.db2.gz NTFXCZZECGIFQA-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001419909072 906853501 /nfs/dbraw/zinc/85/35/01/906853501.db2.gz QHBPOLNDWQMNTI-OLZOCXBDSA-N 2 1 298.431 -0.195 20 0 CBADMP CN(CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C)CC(N)=O ZINC001419973689 906880054 /nfs/dbraw/zinc/88/00/54/906880054.db2.gz UNMMEZFVGVOFFL-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001419994515 906890296 /nfs/dbraw/zinc/89/02/96/906890296.db2.gz NIICPZPTCXGTQJ-LLVKDONJSA-N 2 1 279.344 -0.885 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC001420009546 906895340 /nfs/dbraw/zinc/89/53/40/906895340.db2.gz CHLJAIBMJLDTAK-ZIAGYGMSSA-N 2 1 299.415 -0.282 20 0 CBADMP CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)CCC[NH+](C)C ZINC001420016634 906899140 /nfs/dbraw/zinc/89/91/40/906899140.db2.gz PODFQEZQGNJEJG-UHFFFAOYSA-N 2 1 286.420 -0.193 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)CCC[NH+](C)C ZINC001420016634 906899153 /nfs/dbraw/zinc/89/91/53/906899153.db2.gz PODFQEZQGNJEJG-UHFFFAOYSA-N 2 1 286.420 -0.193 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001420013631 906902126 /nfs/dbraw/zinc/90/21/26/906902126.db2.gz XJYQPPAZZHPVNI-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+](C)CCC(=O)N(C)CC[NH+](C)[C@H]1CCNC1=O ZINC001420039610 906905055 /nfs/dbraw/zinc/90/50/55/906905055.db2.gz PBKMCHSJRRFEQM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)[C@H]1CCNC1=O ZINC001420039610 906905070 /nfs/dbraw/zinc/90/50/70/906905070.db2.gz PBKMCHSJRRFEQM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O ZINC001420039610 906905084 /nfs/dbraw/zinc/90/50/84/906905084.db2.gz PBKMCHSJRRFEQM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O ZINC001420039610 906905097 /nfs/dbraw/zinc/90/50/97/906905097.db2.gz PBKMCHSJRRFEQM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccns1 ZINC001420090557 906928548 /nfs/dbraw/zinc/92/85/48/906928548.db2.gz AJLUQOAUYOJHTB-ZYHUDNBSSA-N 2 1 298.412 -0.196 20 0 CBADMP Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001420117752 906952260 /nfs/dbraw/zinc/95/22/60/906952260.db2.gz XWWHDGAZSORBAR-YPMHNXCESA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001420117752 906952272 /nfs/dbraw/zinc/95/22/72/906952272.db2.gz XWWHDGAZSORBAR-YPMHNXCESA-N 2 1 296.371 -0.356 20 0 CBADMP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001420162738 906980661 /nfs/dbraw/zinc/98/06/61/906980661.db2.gz XFOWXUKCSJTEER-CHWSQXEVSA-N 2 1 298.387 -0.110 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC[C@H]1CCOC1 ZINC001420194807 907007598 /nfs/dbraw/zinc/00/75/98/907007598.db2.gz HYDRZBCBLMBOIW-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC[C@H]1CCOC1 ZINC001420194807 907007619 /nfs/dbraw/zinc/00/76/19/907007619.db2.gz HYDRZBCBLMBOIW-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC[C@H]1CCOC1 ZINC001420194807 907007638 /nfs/dbraw/zinc/00/76/38/907007638.db2.gz HYDRZBCBLMBOIW-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC[C@H]1CCOC1 ZINC001420194807 907007657 /nfs/dbraw/zinc/00/76/57/907007657.db2.gz HYDRZBCBLMBOIW-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCC2)C1 ZINC001420208001 907020934 /nfs/dbraw/zinc/02/09/34/907020934.db2.gz BDHQFVQFSLSXKY-KBPBESRZSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCC2)C1 ZINC001420208001 907020956 /nfs/dbraw/zinc/02/09/56/907020956.db2.gz BDHQFVQFSLSXKY-KBPBESRZSA-N 2 1 299.415 -0.426 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)Cn1cc[nH+]c1C ZINC001420254261 907048585 /nfs/dbraw/zinc/04/85/85/907048585.db2.gz QUPOSQHZANFZHR-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001420336426 907109320 /nfs/dbraw/zinc/10/93/20/907109320.db2.gz AGCXQFORHQNIIU-XQQFMLRXSA-N 2 1 287.404 -0.570 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001420424043 907154117 /nfs/dbraw/zinc/15/41/17/907154117.db2.gz OSXWTMFSQHWNDS-NWDGAFQWSA-N 2 1 284.404 -0.301 20 0 CBADMP CC[NH+](CCNC(=O)CC[N@H+](C)CC)[C@@H]1CCNC1=O ZINC001420436162 907161738 /nfs/dbraw/zinc/16/17/38/907161738.db2.gz GEHUJALZLZYFJM-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](CC)[C@@H]1CCNC1=O ZINC001420436162 907161754 /nfs/dbraw/zinc/16/17/54/907161754.db2.gz GEHUJALZLZYFJM-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](CC)[C@@H]1CCNC1=O ZINC001420436162 907161769 /nfs/dbraw/zinc/16/17/69/907161769.db2.gz GEHUJALZLZYFJM-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001420455628 907171911 /nfs/dbraw/zinc/17/19/11/907171911.db2.gz GLAWYKRJNRKFRE-WDEREUQCSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001420455628 907171921 /nfs/dbraw/zinc/17/19/21/907171921.db2.gz GLAWYKRJNRKFRE-WDEREUQCSA-N 2 1 280.376 -0.496 20 0 CBADMP COCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001420562163 907212593 /nfs/dbraw/zinc/21/25/93/907212593.db2.gz PTGXSXVSPRGTGW-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001420562163 907212614 /nfs/dbraw/zinc/21/26/14/907212614.db2.gz PTGXSXVSPRGTGW-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001420562163 907212641 /nfs/dbraw/zinc/21/26/41/907212641.db2.gz PTGXSXVSPRGTGW-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001420562163 907212659 /nfs/dbraw/zinc/21/26/59/907212659.db2.gz PTGXSXVSPRGTGW-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001420555159 907213895 /nfs/dbraw/zinc/21/38/95/907213895.db2.gz HAMKWKWIKSMPHY-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001420555113 907214049 /nfs/dbraw/zinc/21/40/49/907214049.db2.gz WZIJROOTFOADQD-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001420555113 907214065 /nfs/dbraw/zinc/21/40/65/907214065.db2.gz WZIJROOTFOADQD-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001420555113 907214085 /nfs/dbraw/zinc/21/40/85/907214085.db2.gz WZIJROOTFOADQD-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420571888 907219592 /nfs/dbraw/zinc/21/95/92/907219592.db2.gz ZPQJZJREENETPO-VXGBXAGGSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001420571888 907219609 /nfs/dbraw/zinc/21/96/09/907219609.db2.gz ZPQJZJREENETPO-VXGBXAGGSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001420571888 907219627 /nfs/dbraw/zinc/21/96/27/907219627.db2.gz ZPQJZJREENETPO-VXGBXAGGSA-N 2 1 282.388 -0.748 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001420582810 907222920 /nfs/dbraw/zinc/22/29/20/907222920.db2.gz DWJULIPTNRHZKE-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001420582810 907222886 /nfs/dbraw/zinc/22/28/86/907222886.db2.gz DWJULIPTNRHZKE-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001420582810 907222895 /nfs/dbraw/zinc/22/28/95/907222895.db2.gz DWJULIPTNRHZKE-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001420582810 907222907 /nfs/dbraw/zinc/22/29/07/907222907.db2.gz DWJULIPTNRHZKE-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@@H](C)O ZINC001420579440 907225189 /nfs/dbraw/zinc/22/51/89/907225189.db2.gz VXUOHZMLKIESPF-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@@H](C)O ZINC001420579440 907225205 /nfs/dbraw/zinc/22/52/05/907225205.db2.gz VXUOHZMLKIESPF-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C[C@@H](C)O ZINC001420579440 907225224 /nfs/dbraw/zinc/22/52/24/907225224.db2.gz VXUOHZMLKIESPF-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C[C@@H](C)O ZINC001420579440 907225243 /nfs/dbraw/zinc/22/52/43/907225243.db2.gz VXUOHZMLKIESPF-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001420613310 907242699 /nfs/dbraw/zinc/24/26/99/907242699.db2.gz FLUNEMPSWAKTBJ-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001420613310 907242712 /nfs/dbraw/zinc/24/27/12/907242712.db2.gz FLUNEMPSWAKTBJ-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)CC[N@H+]1C ZINC001420736804 907290732 /nfs/dbraw/zinc/29/07/32/907290732.db2.gz MMHBRDVFZKXLBJ-YNEHKIRRSA-N 2 1 296.415 -0.314 20 0 CBADMP C[C@H](O)C[NH2+]C[C@H](NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001420774508 907297777 /nfs/dbraw/zinc/29/77/77/907297777.db2.gz FTFRQCYVPXYIBR-JSGCOSHPSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@H](O)C[NH2+]C[C@@H](NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001420774506 907298200 /nfs/dbraw/zinc/29/82/00/907298200.db2.gz FTFRQCYVPXYIBR-GXTWGEPZSA-N 2 1 299.415 -0.426 20 0 CBADMP CN1CCC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001420876665 907338327 /nfs/dbraw/zinc/33/83/27/907338327.db2.gz MCWFEVNEXLCDGF-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CCC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001420876665 907338343 /nfs/dbraw/zinc/33/83/43/907338343.db2.gz MCWFEVNEXLCDGF-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001420930605 907363127 /nfs/dbraw/zinc/36/31/27/907363127.db2.gz DUCMYRXTOFDKFY-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC(C[N@@H+](C)CC(N)=O)CC1 ZINC001420950143 907370084 /nfs/dbraw/zinc/37/00/84/907370084.db2.gz NWEQTJCSCPGLJY-UHFFFAOYSA-N 2 1 298.431 -0.016 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001420985735 907378370 /nfs/dbraw/zinc/37/83/70/907378370.db2.gz YKGJEXDGWCDJKI-LBPRGKRZSA-N 2 1 285.388 -0.672 20 0 CBADMP CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001502026408 921319699 /nfs/dbraw/zinc/31/96/99/921319699.db2.gz QOVJHACJVRWPQT-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP COC[C@H](O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001420996025 907384259 /nfs/dbraw/zinc/38/42/59/907384259.db2.gz SICBUZMRAARPLC-QWHCGFSZSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[C@H](C(=O)NCC1C[NH+]([C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001421161641 907446161 /nfs/dbraw/zinc/44/61/61/907446161.db2.gz WRGOLTRXIDHKKL-OLZOCXBDSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001421184993 907453959 /nfs/dbraw/zinc/45/39/59/907453959.db2.gz DLJZYVOZWORURW-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001421185868 907457899 /nfs/dbraw/zinc/45/78/99/907457899.db2.gz CTODMGHXNMTLEJ-GFCCVEGCSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001421185868 907457909 /nfs/dbraw/zinc/45/79/09/907457909.db2.gz CTODMGHXNMTLEJ-GFCCVEGCSA-N 2 1 284.404 -0.362 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001421239748 907471597 /nfs/dbraw/zinc/47/15/97/907471597.db2.gz GYDVMHSOKAWULH-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001421239748 907471605 /nfs/dbraw/zinc/47/16/05/907471605.db2.gz GYDVMHSOKAWULH-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC)C1 ZINC001421249935 907475810 /nfs/dbraw/zinc/47/58/10/907475810.db2.gz ILVZSPOTBQMRBK-HNNXBMFYSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001421348497 907497698 /nfs/dbraw/zinc/49/76/98/907497698.db2.gz LHNAJJGPFYGACR-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001421348497 907497710 /nfs/dbraw/zinc/49/77/10/907497710.db2.gz LHNAJJGPFYGACR-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001421348497 907497716 /nfs/dbraw/zinc/49/77/16/907497716.db2.gz LHNAJJGPFYGACR-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001421348497 907497729 /nfs/dbraw/zinc/49/77/29/907497729.db2.gz LHNAJJGPFYGACR-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001421356385 907507174 /nfs/dbraw/zinc/50/71/74/907507174.db2.gz ZHBGFFKCDCJYNA-HIFRSBDPSA-N 2 1 299.415 -0.596 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001421356385 907507185 /nfs/dbraw/zinc/50/71/85/907507185.db2.gz ZHBGFFKCDCJYNA-HIFRSBDPSA-N 2 1 299.415 -0.596 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001421356385 907507191 /nfs/dbraw/zinc/50/71/91/907507191.db2.gz ZHBGFFKCDCJYNA-HIFRSBDPSA-N 2 1 299.415 -0.596 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001421374342 907509426 /nfs/dbraw/zinc/50/94/26/907509426.db2.gz RGSPLOKOYNSHBG-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001421374342 907509440 /nfs/dbraw/zinc/50/94/40/907509440.db2.gz RGSPLOKOYNSHBG-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[NH2+]CC(N)=O ZINC001421421374 907537509 /nfs/dbraw/zinc/53/75/09/907537509.db2.gz NQGJKXUUHPHUJA-RYUDHWBXSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC(N)=O)C2 ZINC001421515342 907572985 /nfs/dbraw/zinc/57/29/85/907572985.db2.gz KPTKQZUXMURQBK-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(N)=O)C2 ZINC001421515342 907572996 /nfs/dbraw/zinc/57/29/96/907572996.db2.gz KPTKQZUXMURQBK-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001421515342 907573005 /nfs/dbraw/zinc/57/30/05/907573005.db2.gz KPTKQZUXMURQBK-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CC(=O)OC ZINC001421592453 907582897 /nfs/dbraw/zinc/58/28/97/907582897.db2.gz WEWMVRFHRDAAKW-NSHDSACASA-N 2 1 276.377 -0.143 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CC(=O)OC ZINC001421592453 907582907 /nfs/dbraw/zinc/58/29/07/907582907.db2.gz WEWMVRFHRDAAKW-NSHDSACASA-N 2 1 276.377 -0.143 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001421749962 907633121 /nfs/dbraw/zinc/63/31/21/907633121.db2.gz KBTRUUXVKOOLFJ-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cnnn1C ZINC001421764203 907636896 /nfs/dbraw/zinc/63/68/96/907636896.db2.gz CZXURGVPPRIHEQ-VXGBXAGGSA-N 2 1 294.403 -0.391 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cnon1 ZINC001421770473 907639266 /nfs/dbraw/zinc/63/92/66/907639266.db2.gz OGUGXKPHEXERDD-WDEREUQCSA-N 2 1 281.360 -0.137 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H]1CN(CCCO)CCO1)C1CCC1 ZINC001421813511 907652567 /nfs/dbraw/zinc/65/25/67/907652567.db2.gz YNHXDXVHZAXADU-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP O=C(CCN1CCOCC1)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001421826580 907652922 /nfs/dbraw/zinc/65/29/22/907652922.db2.gz LLOQYUZONSZYEB-CQSZACIVSA-N 2 1 299.415 -0.328 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001421826580 907652927 /nfs/dbraw/zinc/65/29/27/907652927.db2.gz LLOQYUZONSZYEB-CQSZACIVSA-N 2 1 299.415 -0.328 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001421826580 907652944 /nfs/dbraw/zinc/65/29/44/907652944.db2.gz LLOQYUZONSZYEB-CQSZACIVSA-N 2 1 299.415 -0.328 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421996815 907699436 /nfs/dbraw/zinc/69/94/36/907699436.db2.gz XESDDAMMNAXMIG-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001502205506 921346380 /nfs/dbraw/zinc/34/63/80/921346380.db2.gz AKBVWIKCROBLEQ-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]([NH2+][C@H]1CCNC1=O)C(C)C ZINC001422128102 907719880 /nfs/dbraw/zinc/71/98/80/907719880.db2.gz BQPLCDQUPFHNJK-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@H](C)C(N)=O ZINC001422135757 907724183 /nfs/dbraw/zinc/72/41/83/907724183.db2.gz NLVPYXFXVFFPFJ-NEPJUHHUSA-N 2 1 286.420 -0.069 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)CCC[NH+](C)C ZINC001422192785 907743804 /nfs/dbraw/zinc/74/38/04/907743804.db2.gz KHTDTVHTCYEQTA-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)CCC[NH+](C)C ZINC001422192785 907743819 /nfs/dbraw/zinc/74/38/19/907743819.db2.gz KHTDTVHTCYEQTA-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](O)C[N@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001422207328 907745621 /nfs/dbraw/zinc/74/56/21/907745621.db2.gz XYYMBXSNEOTWGD-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001422207328 907745627 /nfs/dbraw/zinc/74/56/27/907745627.db2.gz XYYMBXSNEOTWGD-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001422238523 907759348 /nfs/dbraw/zinc/75/93/48/907759348.db2.gz RMCQDGYWPGETTC-STQMWFEESA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001422238523 907759349 /nfs/dbraw/zinc/75/93/49/907759349.db2.gz RMCQDGYWPGETTC-STQMWFEESA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001422238523 907759362 /nfs/dbraw/zinc/75/93/62/907759362.db2.gz RMCQDGYWPGETTC-STQMWFEESA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422238523 907759381 /nfs/dbraw/zinc/75/93/81/907759381.db2.gz RMCQDGYWPGETTC-STQMWFEESA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001502375689 921351006 /nfs/dbraw/zinc/35/10/06/921351006.db2.gz QIQCUINYCLSWLK-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001502375689 921351017 /nfs/dbraw/zinc/35/10/17/921351017.db2.gz QIQCUINYCLSWLK-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001502375691 921351824 /nfs/dbraw/zinc/35/18/24/921351824.db2.gz QIQCUINYCLSWLK-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001502375691 921351837 /nfs/dbraw/zinc/35/18/37/921351837.db2.gz QIQCUINYCLSWLK-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001502371894 921352204 /nfs/dbraw/zinc/35/22/04/921352204.db2.gz ZQJDHIQLNGLYJB-LBPRGKRZSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001502390451 921353226 /nfs/dbraw/zinc/35/32/26/921353226.db2.gz FJBOYROXANPQRO-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001502390451 921353232 /nfs/dbraw/zinc/35/32/32/921353232.db2.gz FJBOYROXANPQRO-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001422334278 907808297 /nfs/dbraw/zinc/80/82/97/907808297.db2.gz RECOTODLAVMXIZ-NEPJUHHUSA-N 2 1 284.360 -0.707 20 0 CBADMP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001422395369 907842326 /nfs/dbraw/zinc/84/23/26/907842326.db2.gz WBXUKLPGQUWJDS-QWRGUYRKSA-N 2 1 282.392 -0.250 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NC ZINC001422419940 907849250 /nfs/dbraw/zinc/84/92/50/907849250.db2.gz OSBOAIBZHJACPO-QWRGUYRKSA-N 2 1 272.393 -0.443 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001422454726 907868848 /nfs/dbraw/zinc/86/88/48/907868848.db2.gz QBLKOCDEEFNCDR-QWRGUYRKSA-N 2 1 297.407 -0.467 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001422454726 907868870 /nfs/dbraw/zinc/86/88/70/907868870.db2.gz QBLKOCDEEFNCDR-QWRGUYRKSA-N 2 1 297.407 -0.467 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001422470944 907874416 /nfs/dbraw/zinc/87/44/16/907874416.db2.gz OFNWBZAMBSWSIC-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001422494214 907892864 /nfs/dbraw/zinc/89/28/64/907892864.db2.gz JHSOMWHVAMGAEP-GHMZBOCLSA-N 2 1 270.377 -0.561 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001422516689 907903150 /nfs/dbraw/zinc/90/31/50/907903150.db2.gz BVZPGGUQLSVHHD-GHMZBOCLSA-N 2 1 272.393 -0.491 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001422516689 907903159 /nfs/dbraw/zinc/90/31/59/907903159.db2.gz BVZPGGUQLSVHHD-GHMZBOCLSA-N 2 1 272.393 -0.491 20 0 CBADMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)CC(=O)N(C)C ZINC001422533864 907907739 /nfs/dbraw/zinc/90/77/39/907907739.db2.gz VYVCOFUZVOHUFF-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)CC(=O)N(C)C ZINC001422533864 907907749 /nfs/dbraw/zinc/90/77/49/907907749.db2.gz VYVCOFUZVOHUFF-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001422539840 907911940 /nfs/dbraw/zinc/91/19/40/907911940.db2.gz DDFYNTYKQKGRNF-AGIUHOORSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@@H](C)C(N)=O ZINC001422552139 907918419 /nfs/dbraw/zinc/91/84/19/907918419.db2.gz MPOOGFKARPTOOR-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001422552139 907918432 /nfs/dbraw/zinc/91/84/32/907918432.db2.gz MPOOGFKARPTOOR-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001422553260 907918767 /nfs/dbraw/zinc/91/87/67/907918767.db2.gz PROZPNCZAUFYQC-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001422553260 907918777 /nfs/dbraw/zinc/91/87/77/907918777.db2.gz PROZPNCZAUFYQC-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001422556392 907919660 /nfs/dbraw/zinc/91/96/60/907919660.db2.gz ZKLDBTGKXJBTQC-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001422548609 907921363 /nfs/dbraw/zinc/92/13/63/907921363.db2.gz DGPTZVIGPPPTSI-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001422557083 907926364 /nfs/dbraw/zinc/92/63/64/907926364.db2.gz AFKIJKYFLGEDGX-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001422557079 907927533 /nfs/dbraw/zinc/92/75/33/907927533.db2.gz AFKIJKYFLGEDGX-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP CCN1CC[C@@H]([N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001422574766 907930912 /nfs/dbraw/zinc/93/09/12/907930912.db2.gz ZKPDWCLRPUAJDA-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422588784 907936340 /nfs/dbraw/zinc/93/63/40/907936340.db2.gz GYDNKZGAQIHHJY-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422588784 907936351 /nfs/dbraw/zinc/93/63/51/907936351.db2.gz GYDNKZGAQIHHJY-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CCn1cncn1 ZINC001422593298 907936888 /nfs/dbraw/zinc/93/68/88/907936888.db2.gz CACKDVIFPJJHJD-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001422596651 907937244 /nfs/dbraw/zinc/93/72/44/907937244.db2.gz JKVPZEXLBRVKTD-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001422678410 907970615 /nfs/dbraw/zinc/97/06/15/907970615.db2.gz MEYKJQUATWMWIA-NSHDSACASA-N 2 1 295.387 -0.188 20 0 CBADMP 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 908025374 /nfs/dbraw/zinc/02/53/74/908025374.db2.gz NEPOFFRVRIIUSH-ZDEQEGDKSA-N 2 1 294.399 -0.893 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001422841850 908025391 /nfs/dbraw/zinc/02/53/91/908025391.db2.gz NEPOFFRVRIIUSH-ZDEQEGDKSA-N 2 1 294.399 -0.893 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001422841850 908025404 /nfs/dbraw/zinc/02/54/04/908025404.db2.gz NEPOFFRVRIIUSH-ZDEQEGDKSA-N 2 1 294.399 -0.893 20 0 CBADMP CCNC(=O)CN(C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001422866563 908038146 /nfs/dbraw/zinc/03/81/46/908038146.db2.gz IZFLKHUUAMUODU-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001422866563 908038172 /nfs/dbraw/zinc/03/81/72/908038172.db2.gz IZFLKHUUAMUODU-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001422866563 908038177 /nfs/dbraw/zinc/03/81/77/908038177.db2.gz IZFLKHUUAMUODU-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001422866563 908038189 /nfs/dbraw/zinc/03/81/89/908038189.db2.gz IZFLKHUUAMUODU-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001422909489 908052701 /nfs/dbraw/zinc/05/27/01/908052701.db2.gz GBWQHNISUQHRFW-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001422909489 908052711 /nfs/dbraw/zinc/05/27/11/908052711.db2.gz GBWQHNISUQHRFW-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422909489 908052725 /nfs/dbraw/zinc/05/27/25/908052725.db2.gz GBWQHNISUQHRFW-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422909489 908052741 /nfs/dbraw/zinc/05/27/41/908052741.db2.gz GBWQHNISUQHRFW-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)CC(=O)NC ZINC001422903692 908053406 /nfs/dbraw/zinc/05/34/06/908053406.db2.gz VTUHRHXSASVMJM-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)CC(=O)NC ZINC001422903692 908053418 /nfs/dbraw/zinc/05/34/18/908053418.db2.gz VTUHRHXSASVMJM-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC ZINC001422903692 908053431 /nfs/dbraw/zinc/05/34/31/908053431.db2.gz VTUHRHXSASVMJM-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC ZINC001422903692 908053438 /nfs/dbraw/zinc/05/34/38/908053438.db2.gz VTUHRHXSASVMJM-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001422916399 908056494 /nfs/dbraw/zinc/05/64/94/908056494.db2.gz VXQJPXNHEBZPNC-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001423046456 908091465 /nfs/dbraw/zinc/09/14/65/908091465.db2.gz ADWKYPHCWKPPRO-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001423095297 908106203 /nfs/dbraw/zinc/10/62/03/908106203.db2.gz UETDRWIPTWBYNQ-NWDGAFQWSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001423095297 908106212 /nfs/dbraw/zinc/10/62/12/908106212.db2.gz UETDRWIPTWBYNQ-NWDGAFQWSA-N 2 1 275.368 -0.151 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001423171892 908126127 /nfs/dbraw/zinc/12/61/27/908126127.db2.gz VKPBCOCDXANVJT-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001423182729 908136987 /nfs/dbraw/zinc/13/69/87/908136987.db2.gz TZFCLOCNSHBEBM-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001423193090 908144018 /nfs/dbraw/zinc/14/40/18/908144018.db2.gz HLYVJQLQLYFAHE-VXGBXAGGSA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001423193090 908144025 /nfs/dbraw/zinc/14/40/25/908144025.db2.gz HLYVJQLQLYFAHE-VXGBXAGGSA-N 2 1 273.377 -0.960 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cccnc1 ZINC001423195773 908148486 /nfs/dbraw/zinc/14/84/86/908148486.db2.gz YEJLBEDWEOJKQC-KBPBESRZSA-N 2 1 292.383 -0.258 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1)C(N)=O ZINC001423224676 908166177 /nfs/dbraw/zinc/16/61/77/908166177.db2.gz FPDHKNQOKHCJGD-GHMZBOCLSA-N 2 1 282.388 -0.417 20 0 CBADMP Cc1noc(C)c1C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001423257571 908179596 /nfs/dbraw/zinc/17/95/96/908179596.db2.gz IVHOXSKSTWWHBO-GFCCVEGCSA-N 2 1 298.387 -0.190 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CCn2cncn2)CC1 ZINC001423309981 908198397 /nfs/dbraw/zinc/19/83/97/908198397.db2.gz YEKXWDGPOJABOT-UHFFFAOYSA-N 2 1 294.403 -0.143 20 0 CBADMP C[C@@H]1[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CC[NH+](C)C ZINC001423333792 908205115 /nfs/dbraw/zinc/20/51/15/908205115.db2.gz XCBKLQBDZBWNLD-DGCLKSJQSA-N 2 1 294.403 -0.154 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001423353584 908212136 /nfs/dbraw/zinc/21/21/36/908212136.db2.gz YXFOGLHPYSFYPY-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCCO ZINC001502748625 921390465 /nfs/dbraw/zinc/39/04/65/921390465.db2.gz WRSNUFRSEVXVLD-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001423453117 908244996 /nfs/dbraw/zinc/24/49/96/908244996.db2.gz LZYQGFQPGZJNQT-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423530758 908269811 /nfs/dbraw/zinc/26/98/11/908269811.db2.gz HQKNDEKTHDEHPW-CHWSQXEVSA-N 2 1 299.415 -0.786 20 0 CBADMP C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423530771 908271344 /nfs/dbraw/zinc/27/13/44/908271344.db2.gz HQKNDEKTHDEHPW-STQMWFEESA-N 2 1 299.415 -0.786 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001423694356 908305649 /nfs/dbraw/zinc/30/56/49/908305649.db2.gz KRDSNFQFGQAQRI-UHFFFAOYSA-N 2 1 270.377 -0.609 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001423780848 908332127 /nfs/dbraw/zinc/33/21/27/908332127.db2.gz ZRGGDSUBCHJBAM-AWEZNQCLSA-N 2 1 296.371 -0.873 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001423780848 908332142 /nfs/dbraw/zinc/33/21/42/908332142.db2.gz ZRGGDSUBCHJBAM-AWEZNQCLSA-N 2 1 296.371 -0.873 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[C@H](C)[NH2+]CCO ZINC001503359130 921406618 /nfs/dbraw/zinc/40/66/18/921406618.db2.gz BVVQODPZVJNJGX-JTQLQIEISA-N 2 1 254.334 -0.332 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001424837884 908511780 /nfs/dbraw/zinc/51/17/80/908511780.db2.gz GNHVPPBXVFAYAB-UWVGGRQHSA-N 2 1 281.360 -0.580 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001425012704 908551314 /nfs/dbraw/zinc/55/13/14/908551314.db2.gz NPKLXVAQXJPYQK-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001425012704 908551296 /nfs/dbraw/zinc/55/12/96/908551296.db2.gz NPKLXVAQXJPYQK-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CC(N)=O ZINC001425010566 908553323 /nfs/dbraw/zinc/55/33/23/908553323.db2.gz LUDGGLARMCBTQC-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)CC(N)=O ZINC001425010566 908553329 /nfs/dbraw/zinc/55/33/29/908553329.db2.gz LUDGGLARMCBTQC-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)CC(N)=O ZINC001425010566 908553340 /nfs/dbraw/zinc/55/33/40/908553340.db2.gz LUDGGLARMCBTQC-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)CC(N)=O ZINC001425010566 908553346 /nfs/dbraw/zinc/55/33/46/908553346.db2.gz LUDGGLARMCBTQC-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001425413371 908642920 /nfs/dbraw/zinc/64/29/20/908642920.db2.gz KASFLSMSOFYGNT-XYPYZODXSA-N 2 1 270.377 -0.704 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CCO)C1 ZINC001505466072 921429290 /nfs/dbraw/zinc/42/92/90/921429290.db2.gz RQXBGJMSZVAKCR-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CCO)C1 ZINC001505466072 921429295 /nfs/dbraw/zinc/42/92/95/921429295.db2.gz RQXBGJMSZVAKCR-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[N@H+](C)CCO)C1 ZINC001505466072 921429305 /nfs/dbraw/zinc/42/93/05/921429305.db2.gz RQXBGJMSZVAKCR-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CCO)C1 ZINC001505466072 921429314 /nfs/dbraw/zinc/42/93/14/921429314.db2.gz RQXBGJMSZVAKCR-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001425573464 908677599 /nfs/dbraw/zinc/67/75/99/908677599.db2.gz HBIYWXFVCDQLTH-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001425629426 908683663 /nfs/dbraw/zinc/68/36/63/908683663.db2.gz VXRMXFMQIAMBPT-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CN(C)C(=O)CC[NH+]1CCOCC1)[NH2+]CCO ZINC001425648804 908687081 /nfs/dbraw/zinc/68/70/81/908687081.db2.gz GQMNIKQKJWVLIT-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001425665170 908687834 /nfs/dbraw/zinc/68/78/34/908687834.db2.gz TUNZLJHCKSHAAT-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCO)C1 ZINC001425704051 908697263 /nfs/dbraw/zinc/69/72/63/908697263.db2.gz XMSNWHPYFWMNEC-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCO)C1 ZINC001425704051 908697269 /nfs/dbraw/zinc/69/72/69/908697269.db2.gz XMSNWHPYFWMNEC-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]Cc2nncn2C)CN1C(=O)CC[NH+](C)C ZINC001425905276 908780886 /nfs/dbraw/zinc/78/08/86/908780886.db2.gz OFDAMCYSHSLYBA-NEPJUHHUSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001425970734 908789205 /nfs/dbraw/zinc/78/92/05/908789205.db2.gz JNGMOXVXDSDYDW-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428631285 909151472 /nfs/dbraw/zinc/15/14/72/909151472.db2.gz PPGFRXMVTQUECU-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001428631285 909151485 /nfs/dbraw/zinc/15/14/85/909151485.db2.gz PPGFRXMVTQUECU-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001428631285 909151501 /nfs/dbraw/zinc/15/15/01/909151501.db2.gz PPGFRXMVTQUECU-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001429194621 909214522 /nfs/dbraw/zinc/21/45/22/909214522.db2.gz OXAWBRLJSMCWTO-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001429194621 909214539 /nfs/dbraw/zinc/21/45/39/909214539.db2.gz OXAWBRLJSMCWTO-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001429194621 909214553 /nfs/dbraw/zinc/21/45/53/909214553.db2.gz OXAWBRLJSMCWTO-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001429483944 909248704 /nfs/dbraw/zinc/24/87/04/909248704.db2.gz XYOAVNYSCQRCHQ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001429483944 909248719 /nfs/dbraw/zinc/24/87/19/909248719.db2.gz XYOAVNYSCQRCHQ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001429483944 909248734 /nfs/dbraw/zinc/24/87/34/909248734.db2.gz XYOAVNYSCQRCHQ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001429478972 909249973 /nfs/dbraw/zinc/24/99/73/909249973.db2.gz OPHOTMATEZTZSA-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CC[NH+](C)C ZINC001429580632 909261134 /nfs/dbraw/zinc/26/11/34/909261134.db2.gz PQTCDOAEXIVQCL-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP C[NH+](C)CCC(=O)NC1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001430293550 909320959 /nfs/dbraw/zinc/32/09/59/909320959.db2.gz BKJASQKBOHQLDR-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001430293568 909321935 /nfs/dbraw/zinc/32/19/35/909321935.db2.gz BSLBNHZXQNVXDA-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001430774681 909388489 /nfs/dbraw/zinc/38/84/89/909388489.db2.gz DCWXBNMRFVDRNG-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001430774681 909388507 /nfs/dbraw/zinc/38/85/07/909388507.db2.gz DCWXBNMRFVDRNG-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001430774681 909388526 /nfs/dbraw/zinc/38/85/26/909388526.db2.gz DCWXBNMRFVDRNG-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H]1CCNC1=O ZINC001506065070 921532946 /nfs/dbraw/zinc/53/29/46/921532946.db2.gz IPAZYADSWGGIGG-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC001506065070 921532954 /nfs/dbraw/zinc/53/29/54/921532954.db2.gz IPAZYADSWGGIGG-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001506065070 921532958 /nfs/dbraw/zinc/53/29/58/921532958.db2.gz IPAZYADSWGGIGG-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP C[NH+]1CC(N2CCN(C(=O)CC[N@@H+]3CC[C@@H](F)C3)CC2)C1 ZINC001434357168 910118573 /nfs/dbraw/zinc/11/85/73/910118573.db2.gz LDUIGNZQTPZIML-CYBMUJFWSA-N 2 1 298.406 -0.122 20 0 CBADMP C[NH+]1CC(N2CCN(C(=O)CC[N@H+]3CC[C@@H](F)C3)CC2)C1 ZINC001434357168 910118584 /nfs/dbraw/zinc/11/85/84/910118584.db2.gz LDUIGNZQTPZIML-CYBMUJFWSA-N 2 1 298.406 -0.122 20 0 CBADMP COCCN1CC(CCO)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001506144961 921552572 /nfs/dbraw/zinc/55/25/72/921552572.db2.gz CBKVMIMQETUXCQ-UHFFFAOYSA-N 2 1 287.404 -0.474 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CC([NH2+]C2COC2)C1 ZINC001434399385 910155313 /nfs/dbraw/zinc/15/53/13/910155313.db2.gz IZLRDLNBUQIWCI-SNVBAGLBSA-N 2 1 271.336 -0.381 20 0 CBADMP O=C(CC[N@@H+]1CC[C@@H](F)C1)N1CC([NH2+]C2COC2)C1 ZINC001434399385 910155326 /nfs/dbraw/zinc/15/53/26/910155326.db2.gz IZLRDLNBUQIWCI-SNVBAGLBSA-N 2 1 271.336 -0.381 20 0 CBADMP C[N@@H+]1C[C@H]2CC[C@@H](NC(=O)CN3CC[NH+](C)CC3)[C@@H]2C1 ZINC001434435244 910180121 /nfs/dbraw/zinc/18/01/21/910180121.db2.gz VMVWRBCQTJOZPR-MGPQQGTHSA-N 2 1 280.416 -0.310 20 0 CBADMP C[N@H+]1C[C@H]2CC[C@@H](NC(=O)CN3CC[NH+](C)CC3)[C@@H]2C1 ZINC001434435244 910180137 /nfs/dbraw/zinc/18/01/37/910180137.db2.gz VMVWRBCQTJOZPR-MGPQQGTHSA-N 2 1 280.416 -0.310 20 0 CBADMP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC[NH+](C)CC3)[C@@H]2C1 ZINC001434435229 910180355 /nfs/dbraw/zinc/18/03/55/910180355.db2.gz VMVWRBCQTJOZPR-BFHYXJOUSA-N 2 1 280.416 -0.310 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC[NH+](C)CC3)[C@@H]2C1 ZINC001434435229 910180364 /nfs/dbraw/zinc/18/03/64/910180364.db2.gz VMVWRBCQTJOZPR-BFHYXJOUSA-N 2 1 280.416 -0.310 20 0 CBADMP COCC[NH+](C)CCNC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001434770027 910328762 /nfs/dbraw/zinc/32/87/62/910328762.db2.gz GFGSXEKCUPYPAI-OLZOCXBDSA-N 2 1 284.404 -0.090 20 0 CBADMP COCC[NH+](C)CCNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001434770027 910328773 /nfs/dbraw/zinc/32/87/73/910328773.db2.gz GFGSXEKCUPYPAI-OLZOCXBDSA-N 2 1 284.404 -0.090 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001506331902 921573367 /nfs/dbraw/zinc/57/33/67/921573367.db2.gz WIVPJUZVCUPRII-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001436825280 910492496 /nfs/dbraw/zinc/49/24/96/910492496.db2.gz HHANCZUJKPUTQZ-WCQYABFASA-N 2 1 296.415 -0.441 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001436878195 910499447 /nfs/dbraw/zinc/49/94/47/910499447.db2.gz KWMJPMSBEJZFOM-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001436884616 910502081 /nfs/dbraw/zinc/50/20/81/910502081.db2.gz FVHDZKUUAJHLRO-CYDGBPFRSA-N 2 1 285.388 -0.411 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001436884616 910502096 /nfs/dbraw/zinc/50/20/96/910502096.db2.gz FVHDZKUUAJHLRO-CYDGBPFRSA-N 2 1 285.388 -0.411 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001436936434 910509257 /nfs/dbraw/zinc/50/92/57/910509257.db2.gz UJKGBGUHSVIXBM-AVGNSLFASA-N 2 1 296.415 -0.158 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001436920179 910510785 /nfs/dbraw/zinc/51/07/85/910510785.db2.gz IRVRWEBVDRJVGR-HAQNSBGRSA-N 2 1 294.403 -0.106 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001436975357 910520573 /nfs/dbraw/zinc/52/05/73/910520573.db2.gz KHRBBUAHPOROOO-BETUJISGSA-N 2 1 296.415 -0.156 20 0 CBADMP 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 910521813 /nfs/dbraw/zinc/52/18/13/910521813.db2.gz ZHMVXDSUQRGLBT-ZDEQEGDKSA-N 2 1 296.415 -0.348 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001437043775 910532344 /nfs/dbraw/zinc/53/23/44/910532344.db2.gz ZHPFVKAJJYKAPE-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001437043775 910532350 /nfs/dbraw/zinc/53/23/50/910532350.db2.gz ZHPFVKAJJYKAPE-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)C1 ZINC001437043775 910532357 /nfs/dbraw/zinc/53/23/57/910532357.db2.gz ZHPFVKAJJYKAPE-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)C1 ZINC001437043775 910532365 /nfs/dbraw/zinc/53/23/65/910532365.db2.gz ZHPFVKAJJYKAPE-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001437199546 910583029 /nfs/dbraw/zinc/58/30/29/910583029.db2.gz CSBADRDNAXBOPL-QWRGUYRKSA-N 2 1 270.377 -0.832 20 0 CBADMP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001437198381 910583819 /nfs/dbraw/zinc/58/38/19/910583819.db2.gz BNOXRYFTDUEKFX-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001437236719 910597050 /nfs/dbraw/zinc/59/70/50/910597050.db2.gz MKXKUFSRNXSREH-STQMWFEESA-N 2 1 294.403 -0.286 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001437236718 910598990 /nfs/dbraw/zinc/59/89/90/910598990.db2.gz MKXKUFSRNXSREH-QWHCGFSZSA-N 2 1 294.403 -0.286 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001437264678 910600413 /nfs/dbraw/zinc/60/04/13/910600413.db2.gz XGIHJCUUQGNAEK-SNVBAGLBSA-N 2 1 281.360 -0.626 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001437309094 910609420 /nfs/dbraw/zinc/60/94/20/910609420.db2.gz JEMWTQMDOCBEPL-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001437326146 910612886 /nfs/dbraw/zinc/61/28/86/910612886.db2.gz NEOCPTGTNFVDFS-QWHCGFSZSA-N 2 1 296.415 -0.536 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001437416603 910630384 /nfs/dbraw/zinc/63/03/84/910630384.db2.gz FEQKUXAPGXEXLK-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001437420779 910632140 /nfs/dbraw/zinc/63/21/40/910632140.db2.gz DXPQKMWAXOKPMK-OLZOCXBDSA-N 2 1 294.403 -0.286 20 0 CBADMP CC[C@@H](C[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1)OC ZINC001437447970 910643804 /nfs/dbraw/zinc/64/38/04/910643804.db2.gz IEJRROJEDURRIJ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[C@@H](C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1)OC ZINC001437447970 910643819 /nfs/dbraw/zinc/64/38/19/910643819.db2.gz IEJRROJEDURRIJ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[C@@H](C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1)OC ZINC001437447970 910643836 /nfs/dbraw/zinc/64/38/36/910643836.db2.gz IEJRROJEDURRIJ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[C@@H](C[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)OC ZINC001437447970 910643849 /nfs/dbraw/zinc/64/38/49/910643849.db2.gz IEJRROJEDURRIJ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC001437515813 910673757 /nfs/dbraw/zinc/67/37/57/910673757.db2.gz MOWCZLKXKJCQQR-LBPRGKRZSA-N 2 1 294.403 -0.235 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)[C@@H]1CCCN(C)C1=O ZINC001437616963 910698746 /nfs/dbraw/zinc/69/87/46/910698746.db2.gz AXWIISHVTSDGQS-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C(N)=O ZINC001437618769 910702112 /nfs/dbraw/zinc/70/21/12/910702112.db2.gz IBEPMRXSANHOHI-VXGBXAGGSA-N 2 1 286.420 -0.116 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C(N)=O ZINC001437618769 910702124 /nfs/dbraw/zinc/70/21/24/910702124.db2.gz IBEPMRXSANHOHI-VXGBXAGGSA-N 2 1 286.420 -0.116 20 0 CBADMP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@H](C)C(N)=O ZINC001437637712 910705663 /nfs/dbraw/zinc/70/56/63/910705663.db2.gz IIYDKCMCZUQZQY-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@H](C)C(N)=O ZINC001437637712 910705679 /nfs/dbraw/zinc/70/56/79/910705679.db2.gz IIYDKCMCZUQZQY-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C)C(N)=O ZINC001437637712 910705700 /nfs/dbraw/zinc/70/57/00/910705700.db2.gz IIYDKCMCZUQZQY-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@H](C)C(N)=O ZINC001437637712 910705726 /nfs/dbraw/zinc/70/57/26/910705726.db2.gz IIYDKCMCZUQZQY-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC(=O)N(C)C ZINC001437688826 910720886 /nfs/dbraw/zinc/72/08/86/910720886.db2.gz TWDOMPVVBCZDBB-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC(=O)N(C)C ZINC001437688826 910720906 /nfs/dbraw/zinc/72/09/06/910720906.db2.gz TWDOMPVVBCZDBB-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC001437688826 910720924 /nfs/dbraw/zinc/72/09/24/910720924.db2.gz TWDOMPVVBCZDBB-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N(C)C ZINC001437688826 910720944 /nfs/dbraw/zinc/72/09/44/910720944.db2.gz TWDOMPVVBCZDBB-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001437728795 910734467 /nfs/dbraw/zinc/73/44/67/910734467.db2.gz YYCNCKDOYWNLKC-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001437728795 910734474 /nfs/dbraw/zinc/73/44/74/910734474.db2.gz YYCNCKDOYWNLKC-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001437728795 910734484 /nfs/dbraw/zinc/73/44/84/910734484.db2.gz YYCNCKDOYWNLKC-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CCC[N@@H+](CCNC(=O)CC[NH+](C)C)[C@@H]1CCNC1=O ZINC001437757630 910742776 /nfs/dbraw/zinc/74/27/76/910742776.db2.gz CCJKJXKLXJVLAF-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001506652473 921602006 /nfs/dbraw/zinc/60/20/06/921602006.db2.gz YMLIHNCLWMSYNZ-JQWIXIFHSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@H](O)C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001437778733 910745188 /nfs/dbraw/zinc/74/51/88/910745188.db2.gz BEUHNNFWMZTXOR-WCQYABFASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@H](O)C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001437778733 910745196 /nfs/dbraw/zinc/74/51/96/910745196.db2.gz BEUHNNFWMZTXOR-WCQYABFASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@H](O)C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001437778733 910745204 /nfs/dbraw/zinc/74/52/04/910745204.db2.gz BEUHNNFWMZTXOR-WCQYABFASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@H](O)C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001437778733 910745212 /nfs/dbraw/zinc/74/52/12/910745212.db2.gz BEUHNNFWMZTXOR-WCQYABFASA-N 2 1 285.388 -0.722 20 0 CBADMP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001437828866 910757684 /nfs/dbraw/zinc/75/76/84/910757684.db2.gz OCXITXKQPQUBTI-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001437840455 910765869 /nfs/dbraw/zinc/76/58/69/910765869.db2.gz GACQEIOCKMFCEX-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001437841987 910766563 /nfs/dbraw/zinc/76/65/63/910766563.db2.gz ICEUQSLMUPWIOO-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001437939324 910777527 /nfs/dbraw/zinc/77/75/27/910777527.db2.gz FYWKEKVILHDDAT-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001437991394 910792904 /nfs/dbraw/zinc/79/29/04/910792904.db2.gz MCDSFUTYAIZWPU-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001438245290 910856340 /nfs/dbraw/zinc/85/63/40/910856340.db2.gz UPNONHLKJIQWCA-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001438245296 910859263 /nfs/dbraw/zinc/85/92/63/910859263.db2.gz UPNONHLKJIQWCA-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001438269997 910860242 /nfs/dbraw/zinc/86/02/42/910860242.db2.gz VWABEVMYLDOTIP-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001438269997 910860261 /nfs/dbraw/zinc/86/02/61/910860261.db2.gz VWABEVMYLDOTIP-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cn(C)nn1 ZINC001438548192 910919406 /nfs/dbraw/zinc/91/94/06/910919406.db2.gz PVKAUWTWIVSPLK-NEPJUHHUSA-N 2 1 294.403 -0.391 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCO)CCCC2)C1 ZINC001438588167 910931192 /nfs/dbraw/zinc/93/11/92/910931192.db2.gz KXRNYRDQPXIIBY-GFCCVEGCSA-N 2 1 285.388 -0.672 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCO)CCCC2)C1 ZINC001438588167 910931203 /nfs/dbraw/zinc/93/12/03/910931203.db2.gz KXRNYRDQPXIIBY-GFCCVEGCSA-N 2 1 285.388 -0.672 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001438653412 910944586 /nfs/dbraw/zinc/94/45/86/910944586.db2.gz QQFVWZUXGNNREF-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001439131683 911116927 /nfs/dbraw/zinc/11/69/27/911116927.db2.gz RQOKEJUYOHYKAL-DGCLKSJQSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001439131683 911116928 /nfs/dbraw/zinc/11/69/28/911116928.db2.gz RQOKEJUYOHYKAL-DGCLKSJQSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C1CC[NH+](C)CC1 ZINC001439145869 911119729 /nfs/dbraw/zinc/11/97/29/911119729.db2.gz ATUCLBIPCGUAJV-LLVKDONJSA-N 2 1 294.403 -0.249 20 0 CBADMP 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 921637046 /nfs/dbraw/zinc/63/70/46/921637046.db2.gz DZOAOAGCHOGZEC-CYDGBPFRSA-N 2 1 296.415 -0.314 20 0 CBADMP COC[C@@H](C)[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001439264511 911157905 /nfs/dbraw/zinc/15/79/05/911157905.db2.gz VXOBPIRHDCNTJJ-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CO[C@H](C)C[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001439261565 911161503 /nfs/dbraw/zinc/16/15/03/911161503.db2.gz FCRVXVZONRJSSU-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CCn1nncc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439282843 911163695 /nfs/dbraw/zinc/16/36/95/911163695.db2.gz ODFJSHNGRCTCQI-NWDGAFQWSA-N 2 1 294.403 -0.156 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC(=O)NC)CC[N@@H+]1C ZINC001439330409 911183656 /nfs/dbraw/zinc/18/36/56/911183656.db2.gz ZAAQNHVYGRKLNH-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC(=O)NC)CC[N@H+]1C ZINC001439330409 911183659 /nfs/dbraw/zinc/18/36/59/911183659.db2.gz ZAAQNHVYGRKLNH-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC)CC[NH+]1C ZINC001439330409 911183663 /nfs/dbraw/zinc/18/36/63/911183663.db2.gz ZAAQNHVYGRKLNH-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC)CC[NH+]1C ZINC001439330409 911183668 /nfs/dbraw/zinc/18/36/68/911183668.db2.gz ZAAQNHVYGRKLNH-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](C[N@@H+](C)CCO)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001439329075 911184047 /nfs/dbraw/zinc/18/40/47/911184047.db2.gz SIMPVOBSSRWUDR-GFCCVEGCSA-N 2 1 297.403 -0.513 20 0 CBADMP C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001439358611 911189752 /nfs/dbraw/zinc/18/97/52/911189752.db2.gz ALJJXYDPMDVAAY-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001439358611 911189763 /nfs/dbraw/zinc/18/97/63/911189763.db2.gz ALJJXYDPMDVAAY-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001439368952 911191772 /nfs/dbraw/zinc/19/17/72/911191772.db2.gz YAFZWSIWEPZKJX-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001439368952 911191789 /nfs/dbraw/zinc/19/17/89/911191789.db2.gz YAFZWSIWEPZKJX-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439370057 911193280 /nfs/dbraw/zinc/19/32/80/911193280.db2.gz OBSBLZRXRPOITQ-NEPJUHHUSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439370057 911193284 /nfs/dbraw/zinc/19/32/84/911193284.db2.gz OBSBLZRXRPOITQ-NEPJUHHUSA-N 2 1 298.431 -0.101 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001439638640 911263876 /nfs/dbraw/zinc/26/38/76/911263876.db2.gz XVRXLHLBSHYGIJ-WDEREUQCSA-N 2 1 280.372 -0.793 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1 ZINC001439671568 911270029 /nfs/dbraw/zinc/27/00/29/911270029.db2.gz KAUCFVIDWRKLPO-SECBINFHSA-N 2 1 279.344 -0.696 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001439782055 911289163 /nfs/dbraw/zinc/28/91/63/911289163.db2.gz GBRMOMHPMZVILQ-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CNC(=O)C[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001439804815 911292096 /nfs/dbraw/zinc/29/20/96/911292096.db2.gz PFLJQFGDZTWXEY-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001439905713 911314798 /nfs/dbraw/zinc/31/47/98/911314798.db2.gz CCEMRAWWJSTITB-AWEZNQCLSA-N 2 1 284.404 -0.360 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001507003332 921653076 /nfs/dbraw/zinc/65/30/76/921653076.db2.gz UBFAQYIKDFIONV-RYUDHWBXSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CC[NH+](CCF)C2)C1 ZINC001440010167 911339019 /nfs/dbraw/zinc/33/90/19/911339019.db2.gz GHRFNYSXFYQIEG-OCCSQVGLSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CC[NH+](CCF)C2)C1 ZINC001440010167 911339037 /nfs/dbraw/zinc/33/90/37/911339037.db2.gz GHRFNYSXFYQIEG-OCCSQVGLSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)C1 ZINC001440010167 911339052 /nfs/dbraw/zinc/33/90/52/911339052.db2.gz GHRFNYSXFYQIEG-OCCSQVGLSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)C1 ZINC001440010167 911339069 /nfs/dbraw/zinc/33/90/69/911339069.db2.gz GHRFNYSXFYQIEG-OCCSQVGLSA-N 2 1 287.379 -0.149 20 0 CBADMP CC(C)(C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)[NH+]1CCCC1 ZINC001440006138 911342369 /nfs/dbraw/zinc/34/23/69/911342369.db2.gz VFHBNQDQRVBXDY-HNNXBMFYSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CC[NH+](CCF)C2)C1 ZINC001440010163 911344482 /nfs/dbraw/zinc/34/44/82/911344482.db2.gz GHRFNYSXFYQIEG-JSGCOSHPSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CC[NH+](CCF)C2)C1 ZINC001440010163 911344502 /nfs/dbraw/zinc/34/45/02/911344502.db2.gz GHRFNYSXFYQIEG-JSGCOSHPSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)C1 ZINC001440010163 911344522 /nfs/dbraw/zinc/34/45/22/911344522.db2.gz GHRFNYSXFYQIEG-JSGCOSHPSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)C1 ZINC001440010163 911344541 /nfs/dbraw/zinc/34/45/41/911344541.db2.gz GHRFNYSXFYQIEG-JSGCOSHPSA-N 2 1 287.379 -0.149 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCCF)C2)C1 ZINC001440023569 911352158 /nfs/dbraw/zinc/35/21/58/911352158.db2.gz NEPXNHAYNAXMCZ-JSGCOSHPSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CCCF)C2)C1 ZINC001440023569 911352174 /nfs/dbraw/zinc/35/21/74/911352174.db2.gz NEPXNHAYNAXMCZ-JSGCOSHPSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCF)C2)C1 ZINC001440023569 911352192 /nfs/dbraw/zinc/35/21/92/911352192.db2.gz NEPXNHAYNAXMCZ-JSGCOSHPSA-N 2 1 287.379 -0.149 20 0 CBADMP CN(C(=O)CC[NH+]1CCOCC1)[C@H](C[NH2+]CCO)C1CC1 ZINC001507030199 921655018 /nfs/dbraw/zinc/65/50/18/921655018.db2.gz NDUBMJRIQQTKAP-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1(O)CN(C[C@H]2CCOC2)C1 ZINC001440088970 911380846 /nfs/dbraw/zinc/38/08/46/911380846.db2.gz QWZMCYUZQIQRBC-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001440088970 911380853 /nfs/dbraw/zinc/38/08/53/911380853.db2.gz QWZMCYUZQIQRBC-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001440307754 911424072 /nfs/dbraw/zinc/42/40/72/911424072.db2.gz JVNULHWIKDLWHD-NSHDSACASA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001440343449 911432357 /nfs/dbraw/zinc/43/23/57/911432357.db2.gz FSPGJZVRCKEKLZ-UHFFFAOYSA-N 2 1 270.377 -0.558 20 0 CBADMP C[C@H](O)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001440578980 911473522 /nfs/dbraw/zinc/47/35/22/911473522.db2.gz XOMOCODSBFVSGR-STQMWFEESA-N 2 1 299.415 -0.426 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001440685397 911489110 /nfs/dbraw/zinc/48/91/10/911489110.db2.gz YZIASZPOCTUTTO-CYBMUJFWSA-N 2 1 268.405 -0.356 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001440722880 911499583 /nfs/dbraw/zinc/49/95/83/911499583.db2.gz QOJVDDQKZZZWDG-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001440722880 911499596 /nfs/dbraw/zinc/49/95/96/911499596.db2.gz QOJVDDQKZZZWDG-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001440722880 911499614 /nfs/dbraw/zinc/49/96/14/911499614.db2.gz QOJVDDQKZZZWDG-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001440722880 911499631 /nfs/dbraw/zinc/49/96/31/911499631.db2.gz QOJVDDQKZZZWDG-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001440994427 911573938 /nfs/dbraw/zinc/57/39/38/911573938.db2.gz IFXWDXFFGDSEIW-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001440994427 911573956 /nfs/dbraw/zinc/57/39/56/911573956.db2.gz IFXWDXFFGDSEIW-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H]1CCN(C)C1=O ZINC001441003891 911581872 /nfs/dbraw/zinc/58/18/72/911581872.db2.gz SMZZXTDSIXUFJL-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC001441003891 911581879 /nfs/dbraw/zinc/58/18/79/911581879.db2.gz SMZZXTDSIXUFJL-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001441003891 911581886 /nfs/dbraw/zinc/58/18/86/911581886.db2.gz SMZZXTDSIXUFJL-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001507115073 921681302 /nfs/dbraw/zinc/68/13/02/921681302.db2.gz MSNCHJMRIRGSJN-LLVKDONJSA-N 2 1 297.407 -0.512 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC2(CCO)C[NH+](CC3CC3)C2)C1 ZINC001441067904 911604676 /nfs/dbraw/zinc/60/46/76/911604676.db2.gz BYYSINUPGRVETD-ZDUSSCGKSA-N 2 1 281.400 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2(CCO)C[NH+](CC3CC3)C2)C1 ZINC001441067904 911604686 /nfs/dbraw/zinc/60/46/86/911604686.db2.gz BYYSINUPGRVETD-ZDUSSCGKSA-N 2 1 281.400 -0.099 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001441274910 911639057 /nfs/dbraw/zinc/63/90/57/911639057.db2.gz CRNPTRFLVRIAPQ-FVCCEPFGSA-N 2 1 294.399 -0.879 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001441356120 911653956 /nfs/dbraw/zinc/65/39/56/911653956.db2.gz HRSVSLSWZHIKKO-NSHDSACASA-N 2 1 295.391 -0.758 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001441356120 911653963 /nfs/dbraw/zinc/65/39/63/911653963.db2.gz HRSVSLSWZHIKKO-NSHDSACASA-N 2 1 295.391 -0.758 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001441435424 911670829 /nfs/dbraw/zinc/67/08/29/911670829.db2.gz GWHMUWYFLILHIH-DDHJBXDOSA-N 2 1 282.388 -0.691 20 0 CBADMP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cn(C)nn1 ZINC001441584732 911712165 /nfs/dbraw/zinc/71/21/65/911712165.db2.gz CWNUKCGYWAUIPY-NSHDSACASA-N 2 1 282.392 -0.297 20 0 CBADMP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001507115074 921681347 /nfs/dbraw/zinc/68/13/47/921681347.db2.gz MSNCHJMRIRGSJN-NSHDSACASA-N 2 1 297.407 -0.512 20 0 CBADMP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)nn1C ZINC001441751300 911778020 /nfs/dbraw/zinc/77/80/20/911778020.db2.gz TVBWOCHANKOHTJ-CYBMUJFWSA-N 2 1 297.403 -0.753 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001507161550 921690976 /nfs/dbraw/zinc/69/09/76/921690976.db2.gz LZPDXGCJJPMDQF-NEPJUHHUSA-N 2 1 286.420 -0.102 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001441771513 911796066 /nfs/dbraw/zinc/79/60/66/911796066.db2.gz WYYVUGVXCLJASJ-STQMWFEESA-N 2 1 287.404 -0.692 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]C/C=C/Cl)C1 ZINC001441797659 911810343 /nfs/dbraw/zinc/81/03/43/911810343.db2.gz QNFKNZWLERRRPF-OVXAFGJRSA-N 2 1 275.780 -0.243 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001441829376 911825320 /nfs/dbraw/zinc/82/53/20/911825320.db2.gz GBFGTGSUHDJRCA-MNOVXSKESA-N 2 1 270.377 -0.609 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001441936969 911858242 /nfs/dbraw/zinc/85/82/42/911858242.db2.gz QLNLDLHSQIYBCY-NWDGAFQWSA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ncnn1C ZINC001441948967 911864804 /nfs/dbraw/zinc/86/48/04/911864804.db2.gz VCVYYBSEEJXUMJ-NSHDSACASA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]C[C@H](C)O ZINC001441980782 911879056 /nfs/dbraw/zinc/87/90/56/911879056.db2.gz AOFFADWHROMHQG-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001442004851 911889151 /nfs/dbraw/zinc/88/91/51/911889151.db2.gz DWBURKLLZCHYQW-QWRGUYRKSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001442052717 911909798 /nfs/dbraw/zinc/90/97/98/911909798.db2.gz PQEPVCNMFKQCIF-AAEUAGOBSA-N 2 1 279.388 -0.034 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001442053666 911910128 /nfs/dbraw/zinc/91/01/28/911910128.db2.gz QMIRXGFNVFJTCZ-WDEREUQCSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001442053666 911910145 /nfs/dbraw/zinc/91/01/45/911910145.db2.gz QMIRXGFNVFJTCZ-WDEREUQCSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001442052753 911911128 /nfs/dbraw/zinc/91/11/28/911911128.db2.gz PQEPVCNMFKQCIF-YPMHNXCESA-N 2 1 279.388 -0.034 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001442063386 911916888 /nfs/dbraw/zinc/91/68/88/911916888.db2.gz KMZPGTVYJHAZQD-NSHDSACASA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001442063386 911916905 /nfs/dbraw/zinc/91/69/05/911916905.db2.gz KMZPGTVYJHAZQD-NSHDSACASA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)N(CC[N@H+](C)[C@H](C)C(N)=O)C(=O)CC[NH+](C)C ZINC001442117823 911934473 /nfs/dbraw/zinc/93/44/73/911934473.db2.gz PJKLYNOUMHSAIX-GFCCVEGCSA-N 2 1 286.420 -0.019 20 0 CBADMP CC(C)N(CC[N@@H+](C)[C@H](C)C(N)=O)C(=O)CC[NH+](C)C ZINC001442117823 911934498 /nfs/dbraw/zinc/93/44/98/911934498.db2.gz PJKLYNOUMHSAIX-GFCCVEGCSA-N 2 1 286.420 -0.019 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001442164380 911942768 /nfs/dbraw/zinc/94/27/68/911942768.db2.gz ZNEYEKBJMBHVAV-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP COCC[N@@H+](CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001442187137 911945374 /nfs/dbraw/zinc/94/53/74/911945374.db2.gz OLRNHYYJHUIMEV-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP COCC[NH+](CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001442187137 911945390 /nfs/dbraw/zinc/94/53/90/911945390.db2.gz OLRNHYYJHUIMEV-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP COCC[NH+](CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001442187137 911945402 /nfs/dbraw/zinc/94/54/02/911945402.db2.gz OLRNHYYJHUIMEV-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@@H](O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001442243131 911955907 /nfs/dbraw/zinc/95/59/07/911955907.db2.gz YQGGACNNYUFQDI-CLRIEMFWSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001442317570 911970244 /nfs/dbraw/zinc/97/02/44/911970244.db2.gz HDTHTJLWARXTKV-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001442336864 911972253 /nfs/dbraw/zinc/97/22/53/911972253.db2.gz HDFPYHHVFYQYJS-MNOVXSKESA-N 2 1 295.391 -0.854 20 0 CBADMP Cn1nccc1CC[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001442507219 912031098 /nfs/dbraw/zinc/03/10/98/912031098.db2.gz YWFZXQYDZJWYSU-UHFFFAOYSA-N 2 1 281.404 -0.038 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001442599842 912059785 /nfs/dbraw/zinc/05/97/85/912059785.db2.gz BMTXKWCSOIHRGK-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001442599842 912059804 /nfs/dbraw/zinc/05/98/04/912059804.db2.gz BMTXKWCSOIHRGK-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)C(=O)N(C)C ZINC001442746068 912096190 /nfs/dbraw/zinc/09/61/90/912096190.db2.gz RFUXMTIKKZDUOW-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)C(=O)N(C)C ZINC001442746068 912096203 /nfs/dbraw/zinc/09/62/03/912096203.db2.gz RFUXMTIKKZDUOW-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)N(C)C ZINC001442746068 912096217 /nfs/dbraw/zinc/09/62/17/912096217.db2.gz RFUXMTIKKZDUOW-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)N(C)C ZINC001442746068 912096233 /nfs/dbraw/zinc/09/62/33/912096233.db2.gz RFUXMTIKKZDUOW-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](CC(=O)NCC)C1 ZINC001442898855 912123878 /nfs/dbraw/zinc/12/38/78/912123878.db2.gz BOSFKNYYEISAPP-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001442898855 912123886 /nfs/dbraw/zinc/12/38/86/912123886.db2.gz BOSFKNYYEISAPP-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001442898855 912123896 /nfs/dbraw/zinc/12/38/96/912123896.db2.gz BOSFKNYYEISAPP-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001442889024 912124709 /nfs/dbraw/zinc/12/47/09/912124709.db2.gz XRWVKNZKOAIXBJ-LLVKDONJSA-N 2 1 270.377 -0.878 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1nnnn1C ZINC001443092705 912151829 /nfs/dbraw/zinc/15/18/29/912151829.db2.gz AMGRWFWIDYEIFZ-NSHDSACASA-N 2 1 297.407 -0.341 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1nnnn1C ZINC001443092705 912151832 /nfs/dbraw/zinc/15/18/32/912151832.db2.gz AMGRWFWIDYEIFZ-NSHDSACASA-N 2 1 297.407 -0.341 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001443314980 912184153 /nfs/dbraw/zinc/18/41/53/912184153.db2.gz AUNFPVBRXNXVTE-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP C[NH+](C)Cc1ccc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC001466683046 915141783 /nfs/dbraw/zinc/14/17/83/915141783.db2.gz NKXRDIXIPPMRGN-OAHLLOKOSA-N 2 1 292.383 -0.060 20 0 CBADMP CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001507221191 921753453 /nfs/dbraw/zinc/75/34/53/921753453.db2.gz FILSMGWCNKSCOZ-NWDGAFQWSA-N 2 1 257.378 -0.053 20 0 CBADMP Cc1cc(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)on1 ZINC001507230420 921765111 /nfs/dbraw/zinc/76/51/11/921765111.db2.gz BRYDPCLKCQKUKT-NSHDSACASA-N 2 1 284.360 -0.499 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCC2CC2)C1 ZINC001507265352 921796254 /nfs/dbraw/zinc/79/62/54/921796254.db2.gz OZHVPHJVUGKOMG-UONOGXRCSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCC2CC2)C1 ZINC001507265352 921796267 /nfs/dbraw/zinc/79/62/67/921796267.db2.gz OZHVPHJVUGKOMG-UONOGXRCSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H]1CN(CCO)CC[N@H+]1CCCN1CCOCC1 ZINC001473545382 915829379 /nfs/dbraw/zinc/82/93/79/915829379.db2.gz KMPAHVGZKRIRMP-CQSZACIVSA-N 2 1 271.405 -0.293 20 0 CBADMP CN(C)C(=O)[C@H]1CC[N@@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC001473547122 915829588 /nfs/dbraw/zinc/82/95/88/915829588.db2.gz WABGDRGVFBFKEF-AAEUAGOBSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@H]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC001473547122 915829602 /nfs/dbraw/zinc/82/96/02/915829602.db2.gz WABGDRGVFBFKEF-AAEUAGOBSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@H]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC001473547122 915829616 /nfs/dbraw/zinc/82/96/16/915829616.db2.gz WABGDRGVFBFKEF-AAEUAGOBSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC001473547122 915829631 /nfs/dbraw/zinc/82/96/31/915829631.db2.gz WABGDRGVFBFKEF-AAEUAGOBSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC001473547122 915829651 /nfs/dbraw/zinc/82/96/51/915829651.db2.gz WABGDRGVFBFKEF-AAEUAGOBSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC001473547122 915829660 /nfs/dbraw/zinc/82/96/60/915829660.db2.gz WABGDRGVFBFKEF-AAEUAGOBSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC001473547122 915829672 /nfs/dbraw/zinc/82/96/72/915829672.db2.gz WABGDRGVFBFKEF-AAEUAGOBSA-N 2 1 269.389 -0.148 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001479415010 916130913 /nfs/dbraw/zinc/13/09/13/916130913.db2.gz OIAUQJRYSFORBT-XYPYZODXSA-N 2 1 279.344 -0.839 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001479792735 916180146 /nfs/dbraw/zinc/18/01/46/916180146.db2.gz ZFFNKDJVDOJMKI-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCCC[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001479792735 916180158 /nfs/dbraw/zinc/18/01/58/916180158.db2.gz ZFFNKDJVDOJMKI-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCCC[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001479792735 916180168 /nfs/dbraw/zinc/18/01/68/916180168.db2.gz ZFFNKDJVDOJMKI-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001479962385 916247178 /nfs/dbraw/zinc/24/71/78/916247178.db2.gz UFNDUSKNHYMOJL-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001479962385 916247195 /nfs/dbraw/zinc/24/71/95/916247195.db2.gz UFNDUSKNHYMOJL-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP COCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001480107514 916287970 /nfs/dbraw/zinc/28/79/70/916287970.db2.gz CBMBVYOIFGOHEL-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001480107514 916287988 /nfs/dbraw/zinc/28/79/88/916287988.db2.gz CBMBVYOIFGOHEL-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]CCOCCO)C2)C1 ZINC001480120618 916292365 /nfs/dbraw/zinc/29/23/65/916292365.db2.gz OSJRWSGCVZFDRN-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480142766 916309200 /nfs/dbraw/zinc/30/92/00/916309200.db2.gz UQOKZYBVJUEVNB-HAQNSBGRSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001480164600 916314492 /nfs/dbraw/zinc/31/44/92/916314492.db2.gz NWTPQNFSQARQSR-HAQNSBGRSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001480164600 916314512 /nfs/dbraw/zinc/31/45/12/916314512.db2.gz NWTPQNFSQARQSR-HAQNSBGRSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)OC ZINC001480198009 916324087 /nfs/dbraw/zinc/32/40/87/916324087.db2.gz FAHRPPBWGMMLEN-CRWXNKLISA-N 2 1 299.415 -0.021 20 0 CBADMP CC[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)OC ZINC001480198009 916324108 /nfs/dbraw/zinc/32/41/08/916324108.db2.gz FAHRPPBWGMMLEN-CRWXNKLISA-N 2 1 299.415 -0.021 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001480228239 916338483 /nfs/dbraw/zinc/33/84/83/916338483.db2.gz OVZCJJMANNEVDB-TXEJJXNPSA-N 2 1 273.352 -0.085 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001480478490 916430451 /nfs/dbraw/zinc/43/04/51/916430451.db2.gz ZKGIHEAWPYXIPI-PWSUYJOCSA-N 2 1 282.388 -0.547 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1cnnn1C ZINC001480503047 916444358 /nfs/dbraw/zinc/44/43/58/916444358.db2.gz ORPRJRXCFHZTQC-SNVBAGLBSA-N 2 1 291.359 -0.385 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cnnn1C ZINC001480538379 916463748 /nfs/dbraw/zinc/46/37/48/916463748.db2.gz XRYQAYHJOCPWBI-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCCF)C2)C1 ZINC001480612289 916497760 /nfs/dbraw/zinc/49/77/60/916497760.db2.gz AHCMYRHTFQWETD-NWDGAFQWSA-N 2 1 273.352 -0.133 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCCF)C2)C1 ZINC001480612289 916497774 /nfs/dbraw/zinc/49/77/74/916497774.db2.gz AHCMYRHTFQWETD-NWDGAFQWSA-N 2 1 273.352 -0.133 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCO)C1 ZINC001480638912 916507106 /nfs/dbraw/zinc/50/71/06/916507106.db2.gz XLOKUSFEHNSMCN-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)[C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001480865319 916596171 /nfs/dbraw/zinc/59/61/71/916596171.db2.gz DRCHSNAXIKTIJK-IJLUTSLNSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)[C@@H]2CCNC2=O)CC[N@H+]1C ZINC001480865319 916596186 /nfs/dbraw/zinc/59/61/86/916596186.db2.gz DRCHSNAXIKTIJK-IJLUTSLNSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)CC[NH+]1C ZINC001480865319 916596200 /nfs/dbraw/zinc/59/62/00/916596200.db2.gz DRCHSNAXIKTIJK-IJLUTSLNSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)CC[NH+]1C ZINC001480865319 916596213 /nfs/dbraw/zinc/59/62/13/916596213.db2.gz DRCHSNAXIKTIJK-IJLUTSLNSA-N 2 1 282.388 -0.737 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001480905283 916618280 /nfs/dbraw/zinc/61/82/80/916618280.db2.gz QRQQYDRSOGAAHS-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001480905283 916618292 /nfs/dbraw/zinc/61/82/92/916618292.db2.gz QRQQYDRSOGAAHS-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001480933118 916638196 /nfs/dbraw/zinc/63/81/96/916638196.db2.gz XXIAZSXLICZJFX-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001480933118 916638203 /nfs/dbraw/zinc/63/82/03/916638203.db2.gz XXIAZSXLICZJFX-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001480933118 916638209 /nfs/dbraw/zinc/63/82/09/916638209.db2.gz XXIAZSXLICZJFX-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001480933118 916638226 /nfs/dbraw/zinc/63/82/26/916638226.db2.gz XXIAZSXLICZJFX-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCCN(C)C1=O ZINC001480937622 916644179 /nfs/dbraw/zinc/64/41/79/916644179.db2.gz OWBAICUXFULOFU-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCCN(C)C1=O ZINC001480937622 916644191 /nfs/dbraw/zinc/64/41/91/916644191.db2.gz OWBAICUXFULOFU-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@H]1CCCN(C)C1=O ZINC001480937622 916644199 /nfs/dbraw/zinc/64/41/99/916644199.db2.gz OWBAICUXFULOFU-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC001480937622 916644206 /nfs/dbraw/zinc/64/42/06/916644206.db2.gz OWBAICUXFULOFU-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480935771 916646856 /nfs/dbraw/zinc/64/68/56/916646856.db2.gz ROWVYVDPGQYKGN-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480935771 916646866 /nfs/dbraw/zinc/64/68/66/916646866.db2.gz ROWVYVDPGQYKGN-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480935771 916646875 /nfs/dbraw/zinc/64/68/75/916646875.db2.gz ROWVYVDPGQYKGN-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480935771 916646884 /nfs/dbraw/zinc/64/68/84/916646884.db2.gz ROWVYVDPGQYKGN-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001480947125 916647607 /nfs/dbraw/zinc/64/76/07/916647607.db2.gz JAOFBAABZQODDD-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480946315 916651563 /nfs/dbraw/zinc/65/15/63/916651563.db2.gz MYEACVSTKWANBF-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480946315 916651572 /nfs/dbraw/zinc/65/15/72/916651572.db2.gz MYEACVSTKWANBF-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480946315 916651585 /nfs/dbraw/zinc/65/15/85/916651585.db2.gz MYEACVSTKWANBF-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480946315 916651595 /nfs/dbraw/zinc/65/15/95/916651595.db2.gz MYEACVSTKWANBF-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480946848 916651767 /nfs/dbraw/zinc/65/17/67/916651767.db2.gz WZMHZWWYNYHHLO-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480946848 916651775 /nfs/dbraw/zinc/65/17/75/916651775.db2.gz WZMHZWWYNYHHLO-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480946848 916651785 /nfs/dbraw/zinc/65/17/85/916651785.db2.gz WZMHZWWYNYHHLO-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480946848 916651796 /nfs/dbraw/zinc/65/17/96/916651796.db2.gz WZMHZWWYNYHHLO-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H](C)C(N)=O ZINC001480983330 916668012 /nfs/dbraw/zinc/66/80/12/916668012.db2.gz XFFURKDREYXXTE-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H](C)C(N)=O ZINC001480983330 916668020 /nfs/dbraw/zinc/66/80/20/916668020.db2.gz XFFURKDREYXXTE-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[C@@H](C)C(N)=O ZINC001480983330 916668033 /nfs/dbraw/zinc/66/80/33/916668033.db2.gz XFFURKDREYXXTE-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)[C@@H](C)C(N)=O ZINC001480983330 916668044 /nfs/dbraw/zinc/66/80/44/916668044.db2.gz XFFURKDREYXXTE-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1[C@H]1CCCNC1=O ZINC001481056543 916698375 /nfs/dbraw/zinc/69/83/75/916698375.db2.gz QYKLISBMYRJWQY-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001481120427 916720817 /nfs/dbraw/zinc/72/08/17/916720817.db2.gz DFWFBPUUXOOFBD-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001481120427 916720826 /nfs/dbraw/zinc/72/08/26/916720826.db2.gz DFWFBPUUXOOFBD-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001481120427 916720833 /nfs/dbraw/zinc/72/08/33/916720833.db2.gz DFWFBPUUXOOFBD-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001481122431 916721312 /nfs/dbraw/zinc/72/13/12/916721312.db2.gz ANZISYKISOLRJC-KGLIPLIRSA-N 2 1 299.415 -0.615 20 0 CBADMP CN(CC[NH2+]CCOCCO)C(=O)[C@H]1CCCC[N@H+]1C ZINC001481247543 916787025 /nfs/dbraw/zinc/78/70/25/916787025.db2.gz SNIPQZIZMOFFBY-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CN(CC[NH2+]Cc1nnnn1C)C(=O)C1(C[NH+](C)C)CC1 ZINC001481272084 916797241 /nfs/dbraw/zinc/79/72/41/916797241.db2.gz AGETUYXFHUKXGM-UHFFFAOYSA-N 2 1 295.391 -0.900 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481315216 916815290 /nfs/dbraw/zinc/81/52/90/916815290.db2.gz SOQBBDCGRFKSSX-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C[NH+](C)CC(N)=O)C2)C1 ZINC001481496474 916848597 /nfs/dbraw/zinc/84/85/97/916848597.db2.gz CWYTVZZTNCATJM-OLZOCXBDSA-N 2 1 296.415 -0.406 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC001481496474 916848604 /nfs/dbraw/zinc/84/86/04/916848604.db2.gz CWYTVZZTNCATJM-OLZOCXBDSA-N 2 1 296.415 -0.406 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC001481496474 916848629 /nfs/dbraw/zinc/84/86/29/916848629.db2.gz CWYTVZZTNCATJM-OLZOCXBDSA-N 2 1 296.415 -0.406 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001481658577 916929569 /nfs/dbraw/zinc/92/95/69/916929569.db2.gz MVAISGVCHBWHCZ-GFCCVEGCSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC2C[NH+](CCOCCO)C2)C1 ZINC001481655019 916930976 /nfs/dbraw/zinc/93/09/76/916930976.db2.gz OVMNBPCAADABHT-ZDUSSCGKSA-N 2 1 299.415 -0.615 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001481703454 916959876 /nfs/dbraw/zinc/95/98/76/916959876.db2.gz KBFSPFVTTRATMQ-UPJWGTAASA-N 2 1 296.415 -0.252 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001481703454 916959883 /nfs/dbraw/zinc/95/98/83/916959883.db2.gz KBFSPFVTTRATMQ-UPJWGTAASA-N 2 1 296.415 -0.252 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001481739602 916971418 /nfs/dbraw/zinc/97/14/18/916971418.db2.gz BLMKVGXBSGFEKE-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001481739602 916971433 /nfs/dbraw/zinc/97/14/33/916971433.db2.gz BLMKVGXBSGFEKE-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001481798571 916989699 /nfs/dbraw/zinc/98/96/99/916989699.db2.gz OXTLKWUHKGHCLR-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001481875686 917010982 /nfs/dbraw/zinc/01/09/82/917010982.db2.gz PBZYHYAAELGYIL-OLZOCXBDSA-N 2 1 294.403 -0.286 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCOC)C1 ZINC001482066744 917036809 /nfs/dbraw/zinc/03/68/09/917036809.db2.gz JNHCNOIDOARQPC-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCOC)C1 ZINC001482066744 917036824 /nfs/dbraw/zinc/03/68/24/917036824.db2.gz JNHCNOIDOARQPC-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP Cc1nnc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001482168777 917069433 /nfs/dbraw/zinc/06/94/33/917069433.db2.gz QJZJTALFRCEANX-PWSUYJOCSA-N 2 1 294.403 -0.093 20 0 CBADMP Cc1nnc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001482168774 917070945 /nfs/dbraw/zinc/07/09/45/917070945.db2.gz QJZJTALFRCEANX-JQWIXIFHSA-N 2 1 294.403 -0.093 20 0 CBADMP COCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482169754 917071448 /nfs/dbraw/zinc/07/14/48/917071448.db2.gz VWOVLOFUHCPHBA-NWDGAFQWSA-N 2 1 257.378 -0.074 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001482651686 917194813 /nfs/dbraw/zinc/19/48/13/917194813.db2.gz ISWOYEGUIWGHRE-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001482651686 917194823 /nfs/dbraw/zinc/19/48/23/917194823.db2.gz ISWOYEGUIWGHRE-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001482651686 917194832 /nfs/dbraw/zinc/19/48/32/917194832.db2.gz ISWOYEGUIWGHRE-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001482651686 917194841 /nfs/dbraw/zinc/19/48/41/917194841.db2.gz ISWOYEGUIWGHRE-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482642636 917196386 /nfs/dbraw/zinc/19/63/86/917196386.db2.gz NXTVLDDNWQYBQO-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482642636 917196402 /nfs/dbraw/zinc/19/64/02/917196402.db2.gz NXTVLDDNWQYBQO-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1CC1 ZINC001482758460 917255966 /nfs/dbraw/zinc/25/59/66/917255966.db2.gz CYFRRWGPTJVDFX-OLZOCXBDSA-N 2 1 269.389 -0.053 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCCO ZINC001482800647 917291295 /nfs/dbraw/zinc/29/12/95/917291295.db2.gz XDGWXTOLPICOBQ-STQMWFEESA-N 2 1 287.404 -0.690 20 0 CBADMP C[C@@H](CC[NH2+]CCCO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001482816680 917303100 /nfs/dbraw/zinc/30/31/00/917303100.db2.gz IRMORNQKXCLDFN-RYUDHWBXSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001482840657 917309401 /nfs/dbraw/zinc/30/94/01/917309401.db2.gz YFXWPOQAJOTZKW-YPMHNXCESA-N 2 1 296.415 -0.156 20 0 CBADMP CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001482969041 917351347 /nfs/dbraw/zinc/35/13/47/917351347.db2.gz GFCAHPDSGFZTIU-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001482969041 917351362 /nfs/dbraw/zinc/35/13/62/917351362.db2.gz GFCAHPDSGFZTIU-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCO ZINC001482990704 917359050 /nfs/dbraw/zinc/35/90/50/917359050.db2.gz GQYWSHZKWKTVDK-JDGPPOGSSA-N 2 1 255.362 -0.275 20 0 CBADMP CCOCC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482993010 917364459 /nfs/dbraw/zinc/36/44/59/917364459.db2.gz NAVIOWGDXGSLTQ-DSYXLKISSA-N 2 1 285.388 -0.385 20 0 CBADMP CCOCC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482993010 917364464 /nfs/dbraw/zinc/36/44/64/917364464.db2.gz NAVIOWGDXGSLTQ-DSYXLKISSA-N 2 1 285.388 -0.385 20 0 CBADMP COC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482993427 917365181 /nfs/dbraw/zinc/36/51/81/917365181.db2.gz RUDAXFDXLKBIRZ-AIMRDXAKSA-N 2 1 285.388 -0.386 20 0 CBADMP COC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482993427 917365195 /nfs/dbraw/zinc/36/51/95/917365195.db2.gz RUDAXFDXLKBIRZ-AIMRDXAKSA-N 2 1 285.388 -0.386 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+][C@@H]2CCNC2=O)CC[N@H+]1C ZINC001483008201 917373438 /nfs/dbraw/zinc/37/34/38/917373438.db2.gz HUEHQWBGDZRGNW-DXELUQJMSA-N 2 1 294.399 -0.523 20 0 CBADMP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001483009128 917373617 /nfs/dbraw/zinc/37/36/17/917373617.db2.gz RGUSMPYCAPEIMX-QKPYMPQASA-N 2 1 282.388 -0.538 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001483009896 917375681 /nfs/dbraw/zinc/37/56/81/917375681.db2.gz IHCITGPGLFJDLJ-PCAWENJQSA-N 2 1 282.388 -0.394 20 0 CBADMP COC[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483048584 917386997 /nfs/dbraw/zinc/38/69/97/917386997.db2.gz VCVCZTRGPGDRPB-WEHDMVHDSA-N 2 1 299.415 -0.260 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)C1CC[NH+](C)CC1 ZINC001483162831 917444372 /nfs/dbraw/zinc/44/43/72/917444372.db2.gz PLDRYHCJEGUYOA-LLVKDONJSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ncnn1C ZINC001483182354 917451958 /nfs/dbraw/zinc/45/19/58/917451958.db2.gz VRKQIAKMHXHHBO-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ncnn1C ZINC001483182354 917451964 /nfs/dbraw/zinc/45/19/64/917451964.db2.gz VRKQIAKMHXHHBO-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483228361 917483585 /nfs/dbraw/zinc/48/35/85/917483585.db2.gz ODPRBTXDAWMHMK-YNEHKIRRSA-N 2 1 296.415 -0.347 20 0 CBADMP CN(CCC[NH2+]CCO)C(=O)CC[NH+]1CCOCC1 ZINC001483498291 917582173 /nfs/dbraw/zinc/58/21/73/917582173.db2.gz UUNAWGRQRYXRER-UHFFFAOYSA-N 2 1 273.377 -0.861 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001483574898 917597550 /nfs/dbraw/zinc/59/75/50/917597550.db2.gz IIMNXMQOMKKCNO-GFCCVEGCSA-N 2 1 293.371 -0.578 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001483574899 917598040 /nfs/dbraw/zinc/59/80/40/917598040.db2.gz IIMNXMQOMKKCNO-LBPRGKRZSA-N 2 1 293.371 -0.578 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+]2CCOCCO)C1 ZINC001483695158 917641672 /nfs/dbraw/zinc/64/16/72/917641672.db2.gz PGBDUKUQTQXCPQ-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+]2CCOCCO)C1 ZINC001483695158 917641685 /nfs/dbraw/zinc/64/16/85/917641685.db2.gz PGBDUKUQTQXCPQ-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CC[N@@H+]2CCOCCO)C1 ZINC001483695158 917641698 /nfs/dbraw/zinc/64/16/98/917641698.db2.gz PGBDUKUQTQXCPQ-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CC[N@H+]2CCOCCO)C1 ZINC001483695158 917641715 /nfs/dbraw/zinc/64/17/15/917641715.db2.gz PGBDUKUQTQXCPQ-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]CC(=O)N(C)C)CC1 ZINC001483752729 917668630 /nfs/dbraw/zinc/66/86/30/917668630.db2.gz QECGJJRWXRZNOP-UHFFFAOYSA-N 2 1 293.371 -0.482 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001483790372 917680225 /nfs/dbraw/zinc/68/02/25/917680225.db2.gz GQKICHRFGAWVJF-WDEREUQCSA-N 2 1 255.362 -0.443 20 0 CBADMP CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001483791112 917680652 /nfs/dbraw/zinc/68/06/52/917680652.db2.gz QONNYWJNQQLMGN-NSHDSACASA-N 2 1 282.388 -0.687 20 0 CBADMP CC[C@@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CC1)C(N)=O ZINC001483790306 917682790 /nfs/dbraw/zinc/68/27/90/917682790.db2.gz DTZPDNXJDHLREC-LLVKDONJSA-N 2 1 293.371 -0.306 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001484235005 917780494 /nfs/dbraw/zinc/78/04/94/917780494.db2.gz ZDMQJLSMBKTBRK-ZDUSSCGKSA-N 2 1 275.368 -0.149 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001484235005 917780509 /nfs/dbraw/zinc/78/05/09/917780509.db2.gz ZDMQJLSMBKTBRK-ZDUSSCGKSA-N 2 1 275.368 -0.149 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001484411697 917838276 /nfs/dbraw/zinc/83/82/76/917838276.db2.gz CYDMEVPXMRLAGR-UPJWGTAASA-N 2 1 296.415 -0.537 20 0 CBADMP O=C(N[C@]1(CO)CCC[N@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001484446647 917855094 /nfs/dbraw/zinc/85/50/94/917855094.db2.gz CTRLCQGBKZVWLJ-OAHLLOKOSA-N 2 1 297.399 -0.982 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCO)C2)C1 ZINC001484551723 917886421 /nfs/dbraw/zinc/88/64/21/917886421.db2.gz OQQXEQJQIBRWIF-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCO)C2)C1 ZINC001484551723 917886433 /nfs/dbraw/zinc/88/64/33/917886433.db2.gz OQQXEQJQIBRWIF-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C[NH2+]CCO)C2)C1 ZINC001484693535 917927102 /nfs/dbraw/zinc/92/71/02/917927102.db2.gz VKKIGGRLAMGWHU-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(N)=O ZINC001485229846 918031528 /nfs/dbraw/zinc/03/15/28/918031528.db2.gz MWKGJBRIZZLVLC-NXEZZACHSA-N 2 1 258.366 -0.705 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCO)C1 ZINC001485096037 917994559 /nfs/dbraw/zinc/99/45/59/917994559.db2.gz NBRJWPXWYNSUIL-BPCQOVAHSA-N 2 1 269.389 -0.053 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCO)C1 ZINC001485096038 917994779 /nfs/dbraw/zinc/99/47/79/917994779.db2.gz NBRJWPXWYNSUIL-WXRRBKDZSA-N 2 1 269.389 -0.053 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(N)=O ZINC001485200229 918021815 /nfs/dbraw/zinc/02/18/15/918021815.db2.gz RQSBGLGXOPONRA-QWRGUYRKSA-N 2 1 295.387 -0.060 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CC(=O)N(C)C ZINC001485352342 918084239 /nfs/dbraw/zinc/08/42/39/918084239.db2.gz YJGLBSQHOBUGPB-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)CC(=O)N(C)C ZINC001485352342 918084256 /nfs/dbraw/zinc/08/42/56/918084256.db2.gz YJGLBSQHOBUGPB-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)CC(=O)N(C)C ZINC001485352342 918084271 /nfs/dbraw/zinc/08/42/71/918084271.db2.gz YJGLBSQHOBUGPB-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)CC(=O)N(C)C ZINC001485352342 918084286 /nfs/dbraw/zinc/08/42/86/918084286.db2.gz YJGLBSQHOBUGPB-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485382191 918097769 /nfs/dbraw/zinc/09/77/69/918097769.db2.gz CWPVZESHIHFPCE-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485382191 918097787 /nfs/dbraw/zinc/09/77/87/918097787.db2.gz CWPVZESHIHFPCE-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)N(C)C ZINC001485373699 918101476 /nfs/dbraw/zinc/10/14/76/918101476.db2.gz VASCTTWBGDBVHV-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)N(C)C ZINC001485373699 918101484 /nfs/dbraw/zinc/10/14/84/918101484.db2.gz VASCTTWBGDBVHV-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)N(C)C ZINC001485373699 918101492 /nfs/dbraw/zinc/10/14/92/918101492.db2.gz VASCTTWBGDBVHV-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)N(C)C ZINC001485373699 918101501 /nfs/dbraw/zinc/10/15/01/918101501.db2.gz VASCTTWBGDBVHV-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)[NH+](C)C ZINC001485375932 918102851 /nfs/dbraw/zinc/10/28/51/918102851.db2.gz CQPBNGXQHOIECY-VHSXEESVSA-N 2 1 258.366 -0.752 20 0 CBADMP CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001485375932 918102860 /nfs/dbraw/zinc/10/28/60/918102860.db2.gz CQPBNGXQHOIECY-VHSXEESVSA-N 2 1 258.366 -0.752 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001485912976 918227265 /nfs/dbraw/zinc/22/72/65/918227265.db2.gz ADYHCJMSVFCHQX-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001485947073 918239717 /nfs/dbraw/zinc/23/97/17/918239717.db2.gz LRTZCDMBLQQEKR-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485982256 918277251 /nfs/dbraw/zinc/27/72/51/918277251.db2.gz KEXZVYQROXWTRB-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485982256 918277257 /nfs/dbraw/zinc/27/72/57/918277257.db2.gz KEXZVYQROXWTRB-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC1CC1 ZINC001486024668 918317814 /nfs/dbraw/zinc/31/78/14/918317814.db2.gz SOOHPUPTRMYPAG-VXGBXAGGSA-N 2 1 255.362 -0.443 20 0 CBADMP Cc1nc(C)c(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)o1 ZINC001486031828 918328403 /nfs/dbraw/zinc/32/84/03/918328403.db2.gz WYLNXVPVGPWKBK-LBPRGKRZSA-N 2 1 298.387 -0.190 20 0 CBADMP CC[NH2+][C@@H](CO)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001486048109 918342748 /nfs/dbraw/zinc/34/27/48/918342748.db2.gz POGWDYIUHMXWLS-GFCCVEGCSA-N 2 1 289.339 -0.033 20 0 CBADMP C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CC[NH+](C)C ZINC001486084990 918360153 /nfs/dbraw/zinc/36/01/53/918360153.db2.gz NYPFJNBVEBXFOX-GHMZBOCLSA-N 2 1 295.391 -0.759 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@H]1C ZINC001486092771 918363573 /nfs/dbraw/zinc/36/35/73/918363573.db2.gz HHWGKLDHFHDIJR-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001486329221 918439220 /nfs/dbraw/zinc/43/92/20/918439220.db2.gz VRHAYHGZRYGPRV-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001486329221 918439242 /nfs/dbraw/zinc/43/92/42/918439242.db2.gz VRHAYHGZRYGPRV-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001486329221 918439254 /nfs/dbraw/zinc/43/92/54/918439254.db2.gz VRHAYHGZRYGPRV-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]CCOCCO)C1 ZINC001486457730 918468959 /nfs/dbraw/zinc/46/89/59/918468959.db2.gz JKFYZIXHJDZDKF-JXQTWKCFSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H](C(=O)NCC1=CC[N@@H+]([C@H](C)C(N)=O)CC1)[NH+](C)C ZINC001486518728 918480516 /nfs/dbraw/zinc/48/05/16/918480516.db2.gz GMBAKECHBJOGFR-YPMHNXCESA-N 2 1 296.415 -0.051 20 0 CBADMP CC[C@@H](C(=O)NCC1=CC[N@H+]([C@H](C)C(N)=O)CC1)[NH+](C)C ZINC001486518728 918480520 /nfs/dbraw/zinc/48/05/20/918480520.db2.gz GMBAKECHBJOGFR-YPMHNXCESA-N 2 1 296.415 -0.051 20 0 CBADMP COC[C@H](O)C[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001486514945 918480579 /nfs/dbraw/zinc/48/05/79/918480579.db2.gz NMNYJCGXNSMMEU-CQSZACIVSA-N 2 1 299.415 -0.306 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)CC[NH+](C)C ZINC001488654515 918751866 /nfs/dbraw/zinc/75/18/66/918751866.db2.gz NYIZWVAWFKDDEY-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001488857948 918774696 /nfs/dbraw/zinc/77/46/96/918774696.db2.gz GKVNFDSWIVJUQP-YVECIDJPSA-N 2 1 296.415 -0.314 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001488871755 918776792 /nfs/dbraw/zinc/77/67/92/918776792.db2.gz FDIIRQDUWSZPSR-JHJVBQTASA-N 2 1 298.431 -0.053 20 0 CBADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCO ZINC001489014830 918784827 /nfs/dbraw/zinc/78/48/27/918784827.db2.gz PDBJXGZTTITVJH-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC(=O)N(C)C ZINC001489287503 918808820 /nfs/dbraw/zinc/80/88/20/918808820.db2.gz UYSSJOHXUJMJIC-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC(=O)N(C)C ZINC001489287503 918808830 /nfs/dbraw/zinc/80/88/30/918808830.db2.gz UYSSJOHXUJMJIC-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490164355 918853548 /nfs/dbraw/zinc/85/35/48/918853548.db2.gz JPCGLPJODVTQKM-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001490164355 918853563 /nfs/dbraw/zinc/85/35/63/918853563.db2.gz JPCGLPJODVTQKM-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001490164355 918853576 /nfs/dbraw/zinc/85/35/76/918853576.db2.gz JPCGLPJODVTQKM-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001490164791 918854543 /nfs/dbraw/zinc/85/45/43/918854543.db2.gz NSNGCHDKYFWELX-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC001490164791 918854550 /nfs/dbraw/zinc/85/45/50/918854550.db2.gz NSNGCHDKYFWELX-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCNC1=O ZINC001490164791 918854565 /nfs/dbraw/zinc/85/45/65/918854565.db2.gz NSNGCHDKYFWELX-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CCNC(=O)C[N@@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001490270390 918882527 /nfs/dbraw/zinc/88/25/27/918882527.db2.gz MYQXFWXMZCCMAX-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+](C)CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001490270390 918882535 /nfs/dbraw/zinc/88/25/35/918882535.db2.gz MYQXFWXMZCCMAX-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+](C)CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001490270390 918882544 /nfs/dbraw/zinc/88/25/44/918882544.db2.gz MYQXFWXMZCCMAX-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CC1CC[NH+](CC(=O)NCCC[N@@H+](C)CC(N)=O)CC1 ZINC001490260981 918883097 /nfs/dbraw/zinc/88/30/97/918883097.db2.gz DEABOFFUNCNTBI-UHFFFAOYSA-N 2 1 284.404 -0.358 20 0 CBADMP C[C@H](O)C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001490513973 918927211 /nfs/dbraw/zinc/92/72/11/918927211.db2.gz AWQFYKGPSLZUSA-UONOGXRCSA-N 2 1 298.431 -0.947 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001490513972 918927521 /nfs/dbraw/zinc/92/75/21/918927521.db2.gz AWQFYKGPSLZUSA-KGLIPLIRSA-N 2 1 298.431 -0.947 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001490949060 918993173 /nfs/dbraw/zinc/99/31/73/918993173.db2.gz CAFCMGURWIPHMW-HAQNSBGRSA-N 2 1 257.378 -0.053 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001491080084 919026344 /nfs/dbraw/zinc/02/63/44/919026344.db2.gz KIQQZQUYTFOYCI-TXEJJXNPSA-N 2 1 294.403 -0.108 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001491079757 919026915 /nfs/dbraw/zinc/02/69/15/919026915.db2.gz GANUUIKJTSZJKQ-SDDRHHMPSA-N 2 1 284.404 -0.302 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001491318714 919115170 /nfs/dbraw/zinc/11/51/70/919115170.db2.gz WVUNKYCBNSQWPR-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CCC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001491318714 919115181 /nfs/dbraw/zinc/11/51/81/919115181.db2.gz WVUNKYCBNSQWPR-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CCC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001491318714 919115192 /nfs/dbraw/zinc/11/51/92/919115192.db2.gz WVUNKYCBNSQWPR-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001491671650 919249146 /nfs/dbraw/zinc/24/91/46/919249146.db2.gz BMZHEBQQDDTNPF-GHMZBOCLSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cncn1C ZINC001491674241 919250474 /nfs/dbraw/zinc/25/04/74/919250474.db2.gz SXJCKFGGEMWUNS-RYUDHWBXSA-N 2 1 279.388 -0.034 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccn(C)n1 ZINC001491674796 919251745 /nfs/dbraw/zinc/25/17/45/919251745.db2.gz WJEPSCDRSRMDJP-RYUDHWBXSA-N 2 1 279.388 -0.034 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001491672255 919252628 /nfs/dbraw/zinc/25/26/28/919252628.db2.gz GBMWBZPRAPKVQT-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP COCC[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001491675416 919253787 /nfs/dbraw/zinc/25/37/87/919253787.db2.gz TYURIYCZWUDPBT-SNVBAGLBSA-N 2 1 254.334 -0.068 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001491752161 919269914 /nfs/dbraw/zinc/26/99/14/919269914.db2.gz QZJIIGRAVXAQQN-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H](C[NH2+]CCO)C1 ZINC001491837778 919287030 /nfs/dbraw/zinc/28/70/30/919287030.db2.gz FLUWCNGUAGMFMN-CYBMUJFWSA-N 2 1 285.388 -0.861 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001491834629 919288344 /nfs/dbraw/zinc/28/83/44/919288344.db2.gz KLFJMRVVUIIWRJ-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001492083979 919322363 /nfs/dbraw/zinc/32/23/63/919322363.db2.gz PQSHEYBIHCZOQR-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001492128459 919328004 /nfs/dbraw/zinc/32/80/04/919328004.db2.gz UNAIBTULTCKZKB-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCN1CCCC1=O ZINC001492214683 919357311 /nfs/dbraw/zinc/35/73/11/919357311.db2.gz ASBJBIJNQAOWJB-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CCN1CCCC1=O ZINC001492214683 919357329 /nfs/dbraw/zinc/35/73/29/919357329.db2.gz ASBJBIJNQAOWJB-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CCN1CCCC1=O ZINC001492214683 919357347 /nfs/dbraw/zinc/35/73/47/919357347.db2.gz ASBJBIJNQAOWJB-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)[C@@H]1CCNC1=O ZINC001492279474 919385413 /nfs/dbraw/zinc/38/54/13/919385413.db2.gz DYDUOMMHPHJOSY-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)[C@@H]1CCNC1=O ZINC001492279474 919385430 /nfs/dbraw/zinc/38/54/30/919385430.db2.gz DYDUOMMHPHJOSY-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O)C1CCC1 ZINC001492279474 919385458 /nfs/dbraw/zinc/38/54/58/919385458.db2.gz DYDUOMMHPHJOSY-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O)C1CCC1 ZINC001492279474 919385472 /nfs/dbraw/zinc/38/54/72/919385472.db2.gz DYDUOMMHPHJOSY-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001492423011 919415526 /nfs/dbraw/zinc/41/55/26/919415526.db2.gz KZFXWUJEJQSMMS-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001492423011 919415537 /nfs/dbraw/zinc/41/55/37/919415537.db2.gz KZFXWUJEJQSMMS-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001492423011 919415545 /nfs/dbraw/zinc/41/55/45/919415545.db2.gz KZFXWUJEJQSMMS-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001492423011 919415555 /nfs/dbraw/zinc/41/55/55/919415555.db2.gz KZFXWUJEJQSMMS-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001492450473 919422057 /nfs/dbraw/zinc/42/20/57/919422057.db2.gz SBAXJUWEEKWJPY-GFCCVEGCSA-N 2 1 297.403 -0.513 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](CCO)C1 ZINC001493256079 919512319 /nfs/dbraw/zinc/51/23/19/919512319.db2.gz FZOOMBCKTKVHBX-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001493256079 919512328 /nfs/dbraw/zinc/51/23/28/919512328.db2.gz FZOOMBCKTKVHBX-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001493256079 919512338 /nfs/dbraw/zinc/51/23/38/919512338.db2.gz FZOOMBCKTKVHBX-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001493159597 919488137 /nfs/dbraw/zinc/48/81/37/919488137.db2.gz CMNLQXVACKZUMY-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001493234257 919508679 /nfs/dbraw/zinc/50/86/79/919508679.db2.gz RFAITQDGVDYQST-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493232590 919510857 /nfs/dbraw/zinc/51/08/57/919510857.db2.gz GCISHMXTVOMGEX-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001493407619 919542918 /nfs/dbraw/zinc/54/29/18/919542918.db2.gz PMCRERCYTXGFKH-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001493407619 919542930 /nfs/dbraw/zinc/54/29/30/919542930.db2.gz PMCRERCYTXGFKH-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001493500157 919561616 /nfs/dbraw/zinc/56/16/16/919561616.db2.gz MKEGVQSYRIGVPH-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(CC[NH2+]CC(=O)N1CCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001493500485 919562485 /nfs/dbraw/zinc/56/24/85/919562485.db2.gz OMNMMQOLSKIGBD-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CN(CC[NH2+]Cc1cnn(C)n1)C(=O)C1(C[NH+](C)C)CC1 ZINC001493678173 919603519 /nfs/dbraw/zinc/60/35/19/919603519.db2.gz WPMLQOMCVUALLS-UHFFFAOYSA-N 2 1 294.403 -0.295 20 0 CBADMP COCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001494122781 919658088 /nfs/dbraw/zinc/65/80/88/919658088.db2.gz RADQBHXAIWLRGU-KBPBESRZSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001494122781 919658097 /nfs/dbraw/zinc/65/80/97/919658097.db2.gz RADQBHXAIWLRGU-KBPBESRZSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001494122781 919658101 /nfs/dbraw/zinc/65/81/01/919658101.db2.gz RADQBHXAIWLRGU-KBPBESRZSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001494122781 919658105 /nfs/dbraw/zinc/65/81/05/919658105.db2.gz RADQBHXAIWLRGU-KBPBESRZSA-N 2 1 299.415 -0.256 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001494180218 919665591 /nfs/dbraw/zinc/66/55/91/919665591.db2.gz IMAYNNCHBOQCPE-LBPRGKRZSA-N 2 1 293.371 -0.543 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001494180218 919665598 /nfs/dbraw/zinc/66/55/98/919665598.db2.gz IMAYNNCHBOQCPE-LBPRGKRZSA-N 2 1 293.371 -0.543 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001494170576 919666698 /nfs/dbraw/zinc/66/66/98/919666698.db2.gz DHELAZUIGQZYGK-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001494170576 919666707 /nfs/dbraw/zinc/66/67/07/919666707.db2.gz DHELAZUIGQZYGK-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001494170576 919666717 /nfs/dbraw/zinc/66/67/17/919666717.db2.gz DHELAZUIGQZYGK-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP C[N@@H+](CCO)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494181997 919667065 /nfs/dbraw/zinc/66/70/65/919667065.db2.gz VMHRJFZUYWCSKH-CHWSQXEVSA-N 2 1 269.389 -0.289 20 0 CBADMP C[NH+](CCO)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001494181997 919667073 /nfs/dbraw/zinc/66/70/73/919667073.db2.gz VMHRJFZUYWCSKH-CHWSQXEVSA-N 2 1 269.389 -0.289 20 0 CBADMP C[NH+](CCO)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494181997 919667083 /nfs/dbraw/zinc/66/70/83/919667083.db2.gz VMHRJFZUYWCSKH-CHWSQXEVSA-N 2 1 269.389 -0.289 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001494848945 919801088 /nfs/dbraw/zinc/80/10/88/919801088.db2.gz UIUBSAXPZDOCAC-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001494848330 919804053 /nfs/dbraw/zinc/80/40/53/919804053.db2.gz QLWLGOUEIODAJH-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CCO)C1 ZINC001494856189 919805348 /nfs/dbraw/zinc/80/53/48/919805348.db2.gz LVAIITHFDLCWAR-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](CCO)C1 ZINC001494856189 919805363 /nfs/dbraw/zinc/80/53/63/919805363.db2.gz LVAIITHFDLCWAR-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001494856189 919805374 /nfs/dbraw/zinc/80/53/74/919805374.db2.gz LVAIITHFDLCWAR-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CCO)C1 ZINC001494924535 919815394 /nfs/dbraw/zinc/81/53/94/919815394.db2.gz LZWUWYZPLVKSPD-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCCOC ZINC001494960030 919826295 /nfs/dbraw/zinc/82/62/95/919826295.db2.gz SGNKSGFFWQCAPN-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCCOC ZINC001494960030 919826306 /nfs/dbraw/zinc/82/63/06/919826306.db2.gz SGNKSGFFWQCAPN-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001495548974 919903109 /nfs/dbraw/zinc/90/31/09/919903109.db2.gz PGAMQTMTWATZIB-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+][C@@H]1CCNC1=O ZINC001495682555 919927963 /nfs/dbraw/zinc/92/79/63/919927963.db2.gz FKEFLWBPMMYACQ-WCQYABFASA-N 2 1 296.415 -0.299 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001495706369 919929730 /nfs/dbraw/zinc/92/97/30/919929730.db2.gz PRVDYELMMUUJKW-GXSJLCMTSA-N 2 1 281.360 -0.593 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)N1CCC1 ZINC001495809737 919950445 /nfs/dbraw/zinc/95/04/45/919950445.db2.gz TVJMWNLOKWQROC-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1 ZINC001495953434 919991796 /nfs/dbraw/zinc/99/17/96/919991796.db2.gz AYZNACRAGNOYHD-LBPRGKRZSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CCc1cnc[nH]1 ZINC001496077425 920021808 /nfs/dbraw/zinc/02/18/08/920021808.db2.gz DOQNRORRSAUJAV-VIFPVBQESA-N 2 1 267.333 -0.736 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496230431 920045843 /nfs/dbraw/zinc/04/58/43/920045843.db2.gz WLJQZFHJRKZSSH-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001496816424 920139698 /nfs/dbraw/zinc/13/96/98/920139698.db2.gz HZVOOBQHUHIVOC-GFCCVEGCSA-N 2 1 294.399 -0.639 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001496816424 920139711 /nfs/dbraw/zinc/13/97/11/920139711.db2.gz HZVOOBQHUHIVOC-GFCCVEGCSA-N 2 1 294.399 -0.639 20 0 CBADMP CCOCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496979271 920189348 /nfs/dbraw/zinc/18/93/48/920189348.db2.gz PPPBKQBMDDECRZ-FRRDWIJNSA-N 2 1 287.404 -0.570 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001497016069 920208113 /nfs/dbraw/zinc/20/81/13/920208113.db2.gz BPXSACJUBSCTPM-STQMWFEESA-N 2 1 296.371 -0.705 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001497016067 920208706 /nfs/dbraw/zinc/20/87/06/920208706.db2.gz BPXSACJUBSCTPM-QWHCGFSZSA-N 2 1 296.371 -0.705 20 0 CBADMP CCOCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001497033657 920220279 /nfs/dbraw/zinc/22/02/79/920220279.db2.gz SIBYWSILPJGFRM-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP C[NH+](C)[C@H](C(=O)NC[C@H](O)C[NH2+]CCO)c1ccccc1 ZINC001497120510 920257181 /nfs/dbraw/zinc/25/71/81/920257181.db2.gz ZGKOFIIBKDQVPW-KGLIPLIRSA-N 2 1 295.383 -0.652 20 0 CBADMP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001497154523 920264126 /nfs/dbraw/zinc/26/41/26/920264126.db2.gz LDURYXBJWACMJZ-UWVGGRQHSA-N 2 1 256.350 -0.950 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001497229775 920274434 /nfs/dbraw/zinc/27/44/34/920274434.db2.gz FHIZDPHLZQGASW-CMPLNLGQSA-N 2 1 293.371 -0.436 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001497229787 920274745 /nfs/dbraw/zinc/27/47/45/920274745.db2.gz FHIZDPHLZQGASW-PWSUYJOCSA-N 2 1 293.371 -0.436 20 0 CBADMP CCN(CC[NH2+][C@H](C)COC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001497368291 920293107 /nfs/dbraw/zinc/29/31/07/920293107.db2.gz XKCFBZILOVUWCI-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CCN(CC[NH2+][C@H](C)COC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001497368291 920293121 /nfs/dbraw/zinc/29/31/21/920293121.db2.gz XKCFBZILOVUWCI-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CCN(CC[NH2+]C[C@@H](O)COC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497495296 920310347 /nfs/dbraw/zinc/31/03/47/920310347.db2.gz CKQPVDHICSBTOS-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497587008 920347364 /nfs/dbraw/zinc/34/73/64/920347364.db2.gz ZQVWYRUBUKHWRN-RGIBJUCOSA-N 2 1 269.389 -0.031 20 0 CBADMP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001497913424 920421580 /nfs/dbraw/zinc/42/15/80/920421580.db2.gz UPDYVETUHALSMA-PWSUYJOCSA-N 2 1 282.392 -0.250 20 0 CBADMP Cc1nnc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001497984285 920433709 /nfs/dbraw/zinc/43/37/09/920433709.db2.gz YGVGQSVSTRLCNZ-KOLCDFICSA-N 2 1 280.376 -0.341 20 0 CBADMP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001497984285 920433713 /nfs/dbraw/zinc/43/37/13/920433713.db2.gz YGVGQSVSTRLCNZ-KOLCDFICSA-N 2 1 280.376 -0.341 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001498060420 920462721 /nfs/dbraw/zinc/46/27/21/920462721.db2.gz RQOKEJUYOHYKAL-WCQYABFASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001498060420 920462728 /nfs/dbraw/zinc/46/27/28/920462728.db2.gz RQOKEJUYOHYKAL-WCQYABFASA-N 2 1 294.403 -0.106 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)CC2 ZINC001498097192 920479579 /nfs/dbraw/zinc/47/95/79/920479579.db2.gz ZVXIFWOLFVLZQN-GXSJLCMTSA-N 2 1 293.371 -0.666 20 0 CBADMP CCn1cc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)nn1 ZINC001498108672 920482450 /nfs/dbraw/zinc/48/24/50/920482450.db2.gz FQRCGOQLCPUNOY-NSHDSACASA-N 2 1 282.392 -0.156 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001498169190 920510563 /nfs/dbraw/zinc/51/05/63/920510563.db2.gz YHSLJESTCCNOCZ-WDEREUQCSA-N 2 1 272.393 -0.443 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CCN1CCNC1=O ZINC001498197133 920517209 /nfs/dbraw/zinc/51/72/09/920517209.db2.gz FOFQROKBJXXDAO-LBPRGKRZSA-N 2 1 299.419 -0.554 20 0 CBADMP C[NH+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001498275045 920537775 /nfs/dbraw/zinc/53/77/75/920537775.db2.gz BVCHVSPHIIDNJY-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001498288493 920541028 /nfs/dbraw/zinc/54/10/28/920541028.db2.gz MFMRHWARDQUTCN-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001498288493 920541038 /nfs/dbraw/zinc/54/10/38/920541038.db2.gz MFMRHWARDQUTCN-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498288493 920541052 /nfs/dbraw/zinc/54/10/52/920541052.db2.gz MFMRHWARDQUTCN-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001498288493 920541058 /nfs/dbraw/zinc/54/10/58/920541058.db2.gz MFMRHWARDQUTCN-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)C[NH+](C)C1CCC1 ZINC001498314424 920549367 /nfs/dbraw/zinc/54/93/67/920549367.db2.gz SMNPCIUVAOMQIE-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)C[NH+](C)C1CCC1 ZINC001498314424 920549384 /nfs/dbraw/zinc/54/93/84/920549384.db2.gz SMNPCIUVAOMQIE-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C[NH+](C)[C@H]1CCNC1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001498314424 920549400 /nfs/dbraw/zinc/54/94/00/920549400.db2.gz SMNPCIUVAOMQIE-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C[NH+](C)[C@H]1CCNC1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001498314424 920549415 /nfs/dbraw/zinc/54/94/15/920549415.db2.gz SMNPCIUVAOMQIE-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001498391649 920575318 /nfs/dbraw/zinc/57/53/18/920575318.db2.gz BUQXDMZZTUFFGH-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001498391649 920575334 /nfs/dbraw/zinc/57/53/34/920575334.db2.gz BUQXDMZZTUFFGH-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H]1CCNC1=O ZINC001498433629 920586210 /nfs/dbraw/zinc/58/62/10/920586210.db2.gz IRSOMIMAPUENBV-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H]1CCNC1=O ZINC001498433629 920586227 /nfs/dbraw/zinc/58/62/27/920586227.db2.gz IRSOMIMAPUENBV-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001498433629 920586244 /nfs/dbraw/zinc/58/62/44/920586244.db2.gz IRSOMIMAPUENBV-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001498433629 920586261 /nfs/dbraw/zinc/58/62/61/920586261.db2.gz IRSOMIMAPUENBV-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001498599454 920617100 /nfs/dbraw/zinc/61/71/00/920617100.db2.gz APXRSEJUJIXJJN-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCC[NH2+][C@H]2CCNC2=O)C1 ZINC001498611789 920617178 /nfs/dbraw/zinc/61/71/78/920617178.db2.gz BGCAXZWPIGDOAE-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CCCO ZINC001499128354 920701525 /nfs/dbraw/zinc/70/15/25/920701525.db2.gz WNUOGOVITPMFJH-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001499128354 920701532 /nfs/dbraw/zinc/70/15/32/920701532.db2.gz WNUOGOVITPMFJH-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001499128354 920701549 /nfs/dbraw/zinc/70/15/49/920701549.db2.gz WNUOGOVITPMFJH-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H]2CCCNC2=O)CC1 ZINC001499183944 920715803 /nfs/dbraw/zinc/71/58/03/920715803.db2.gz NBVWLIANYBWBOX-RYUDHWBXSA-N 2 1 294.399 -0.402 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001499458551 920753584 /nfs/dbraw/zinc/75/35/84/920753584.db2.gz HPGUVLIQRDIOQT-UHFFFAOYSA-N 2 1 256.350 -0.950 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC1([NH2+]CCF)CC1 ZINC001499382995 920743875 /nfs/dbraw/zinc/74/38/75/920743875.db2.gz MPMLMBLIISFYEY-UHFFFAOYSA-N 2 1 273.352 -0.083 20 0 CBADMP CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001499454937 920749773 /nfs/dbraw/zinc/74/97/73/920749773.db2.gz BJKYINRDYSSJBF-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001499454937 920749785 /nfs/dbraw/zinc/74/97/85/920749785.db2.gz BJKYINRDYSSJBF-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP CN(C(=O)CCC[NH+](C)C)C1C[NH+](CCCO)C1 ZINC001499738649 920771178 /nfs/dbraw/zinc/77/11/78/920771178.db2.gz IHYGWXUSQQYGPH-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001499901661 920781683 /nfs/dbraw/zinc/78/16/83/920781683.db2.gz QLRRRMHMMHMWOW-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP Cn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CC[NH+](C)C)nn1 ZINC001499922690 920785433 /nfs/dbraw/zinc/78/54/33/920785433.db2.gz HPYUKWGCQGRJQB-ZDUSSCGKSA-N 2 1 294.403 -0.153 20 0 CBADMP CN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001500258732 920822333 /nfs/dbraw/zinc/82/23/33/920822333.db2.gz WNRDUYPKVSGEGP-WFASDCNBSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001500401744 920831207 /nfs/dbraw/zinc/83/12/07/920831207.db2.gz JMXQYSFGKZYHRK-FZMZJTMJSA-N 2 1 282.388 -0.748 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001500401746 920831882 /nfs/dbraw/zinc/83/18/82/920831882.db2.gz JMXQYSFGKZYHRK-SMDDNHRTSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+](C)CCC(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001500915108 920916134 /nfs/dbraw/zinc/91/61/34/920916134.db2.gz PXLPJRYOYWYEQL-LBPRGKRZSA-N 2 1 285.388 -0.863 20 0 CBADMP CC(C)[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001500965165 920931001 /nfs/dbraw/zinc/93/10/01/920931001.db2.gz GZWIURIUMIBPGG-GFCCVEGCSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001500965165 920931009 /nfs/dbraw/zinc/93/10/09/920931009.db2.gz GZWIURIUMIBPGG-GFCCVEGCSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001501084376 920947551 /nfs/dbraw/zinc/94/75/51/920947551.db2.gz UTIZQMUUFGZJMA-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH2+]CCN(CCO)C(=O)C[N@@H+](C)C1CCC1 ZINC001501462548 921020425 /nfs/dbraw/zinc/02/04/25/921020425.db2.gz XEEGUKQONOVNTO-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CC[NH2+]CCF)C1 ZINC001501492699 921030220 /nfs/dbraw/zinc/03/02/20/921030220.db2.gz JMXUNZXDYUTHRO-GFCCVEGCSA-N 2 1 275.368 -0.292 20 0 CBADMP CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001507497638 921856694 /nfs/dbraw/zinc/85/66/94/921856694.db2.gz OUEJAOGOYSVTAH-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507562171 921866570 /nfs/dbraw/zinc/86/65/70/921866570.db2.gz JQXDZXFBPNXSBW-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[N@H+](C)CCCO ZINC001507674769 921887677 /nfs/dbraw/zinc/88/76/77/921887677.db2.gz HYTMHKSRWCGPGM-CYBMUJFWSA-N 2 1 298.387 -0.675 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO ZINC001507674769 921887687 /nfs/dbraw/zinc/88/76/87/921887687.db2.gz HYTMHKSRWCGPGM-CYBMUJFWSA-N 2 1 298.387 -0.675 20 0 CBADMP C[C@@H](NC(=O)C[NH2+]C1CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001515359376 922230360 /nfs/dbraw/zinc/23/03/60/922230360.db2.gz OMFVMSQKRDJEBW-ZYHUDNBSSA-N 2 1 254.378 -0.511 20 0 CBADMP C[C@H](NC(=O)C1([NH3+])CCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001515357834 922231389 /nfs/dbraw/zinc/23/13/89/922231389.db2.gz ITFUSTHCNNSMOY-QWRGUYRKSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C)[NH+](C)C ZINC001520328817 922304293 /nfs/dbraw/zinc/30/42/93/922304293.db2.gz KSPCGETVXBFBMQ-JHJVBQTASA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)CC[N@H+]1C ZINC001520694929 922318892 /nfs/dbraw/zinc/31/88/92/922318892.db2.gz LNVDCQCCKLVTMP-LOWDOPEQSA-N 2 1 266.389 -0.417 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC[NH+]1C ZINC001520694929 922318910 /nfs/dbraw/zinc/31/89/10/922318910.db2.gz LNVDCQCCKLVTMP-LOWDOPEQSA-N 2 1 266.389 -0.417 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC[NH+]1C ZINC001520694929 922318922 /nfs/dbraw/zinc/31/89/22/922318922.db2.gz LNVDCQCCKLVTMP-LOWDOPEQSA-N 2 1 266.389 -0.417 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001521464918 922358430 /nfs/dbraw/zinc/35/84/30/922358430.db2.gz XKMJAZLBBODCMR-PWSUYJOCSA-N 2 1 252.318 -0.579 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001521496248 922361643 /nfs/dbraw/zinc/36/16/43/922361643.db2.gz RPSMPHBVLPYREN-GXTWGEPZSA-N 2 1 269.389 -0.051 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@](O)(C[NH+](C)C)C2)CC[N@H+]1C ZINC001521788102 922381358 /nfs/dbraw/zinc/38/13/58/922381358.db2.gz AQBBIHSOGJJQLS-BZPMIXESSA-N 2 1 269.389 -0.148 20 0 CBADMP COc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001522082920 922397739 /nfs/dbraw/zinc/39/77/39/922397739.db2.gz JQJHKIGQGPOCET-SCVCMEIPSA-N 2 1 265.313 -0.856 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)C1 ZINC001522310284 922407989 /nfs/dbraw/zinc/40/79/89/922407989.db2.gz AQHHYKATYKENFD-ZWNOBZJWSA-N 2 1 266.345 -0.676 20 0 CBADMP CC(C)[NH2+]CCC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001522639732 922493289 /nfs/dbraw/zinc/49/32/89/922493289.db2.gz NDFCPJKXOBANKE-UHFFFAOYSA-N 3 1 256.394 -0.086 20 0 CBADMP C[NH+](C)CC1(C(=O)NCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001522655600 922497062 /nfs/dbraw/zinc/49/70/62/922497062.db2.gz ZGQMGXGLWJQWGW-LBPRGKRZSA-N 2 1 296.415 -0.488 20 0 CBADMP C[NH+](C)CCC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001522653640 922499258 /nfs/dbraw/zinc/49/92/58/922499258.db2.gz KOODOAJWZXVDQQ-NSHDSACASA-N 2 1 270.377 -0.878 20 0 CBADMP C[N@@H+](CC(=O)N1CCNCC[NH2+]CC1)CC(C)(C)C ZINC001522984114 922555044 /nfs/dbraw/zinc/55/50/44/922555044.db2.gz PWFPRVHLGXXPTH-UHFFFAOYSA-N 2 1 270.421 -0.014 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])C[C@]2(C)C1 ZINC001523448553 922592778 /nfs/dbraw/zinc/59/27/78/922592778.db2.gz OCGQOTXDTDVTHX-NMKXLXIOSA-N 2 1 267.373 -0.240 20 0 CBADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@H]1C[C@@]12CC[NH2+]C2 ZINC001523475430 922597003 /nfs/dbraw/zinc/59/70/03/922597003.db2.gz UXGYMJRBBWBMNQ-ZWNOBZJWSA-N 2 1 261.329 -0.076 20 0 CBADMP CN1CCN(C(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC[N@H+](C)CC1 ZINC001523482810 922597278 /nfs/dbraw/zinc/59/72/78/922597278.db2.gz WNOABCHWUHOSQJ-RWMBFGLXSA-N 2 1 266.389 -0.700 20 0 CBADMP CN1CCN(C(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC[N@@H+](C)CC1 ZINC001523482810 922597288 /nfs/dbraw/zinc/59/72/88/922597288.db2.gz WNOABCHWUHOSQJ-RWMBFGLXSA-N 2 1 266.389 -0.700 20 0 CBADMP CN1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC[N@@H+](C)CC1 ZINC001523482657 922598775 /nfs/dbraw/zinc/59/87/75/922598775.db2.gz UQBWLSSMJCSIGZ-DZGCQCFKSA-N 2 1 280.416 -0.308 20 0 CBADMP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001524029508 922613419 /nfs/dbraw/zinc/61/34/19/922613419.db2.gz NXIULMODXAZXCO-NEPJUHHUSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001524029508 922613434 /nfs/dbraw/zinc/61/34/34/922613434.db2.gz NXIULMODXAZXCO-NEPJUHHUSA-N 2 1 257.378 -0.115 20 0 CBADMP O=C([C@H]1CCC[NH2+]1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001524009958 922614462 /nfs/dbraw/zinc/61/44/62/922614462.db2.gz ZCILDLHYGDOCJL-JHJVBQTASA-N 2 1 267.373 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001527708786 922765995 /nfs/dbraw/zinc/76/59/95/922765995.db2.gz ZWMGRCRULAVZLI-CHWSQXEVSA-N 2 1 268.405 -0.169 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001527708786 922766007 /nfs/dbraw/zinc/76/60/07/922766007.db2.gz ZWMGRCRULAVZLI-CHWSQXEVSA-N 2 1 268.405 -0.169 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001527708786 922766020 /nfs/dbraw/zinc/76/60/20/922766020.db2.gz ZWMGRCRULAVZLI-CHWSQXEVSA-N 2 1 268.405 -0.169 20 0 CBADMP C[N@@H+]1C[C@H]2CC[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001529329910 922887615 /nfs/dbraw/zinc/88/76/15/922887615.db2.gz WOYXIBFZHRZRMM-LPWJVIDDSA-N 2 1 267.373 -0.227 20 0 CBADMP C[N@H+]1C[C@H]2CC[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001529329910 922887628 /nfs/dbraw/zinc/88/76/28/922887628.db2.gz WOYXIBFZHRZRMM-LPWJVIDDSA-N 2 1 267.373 -0.227 20 0 CBADMP C[NH+]1C[C@H]2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001529329910 922887644 /nfs/dbraw/zinc/88/76/44/922887644.db2.gz WOYXIBFZHRZRMM-LPWJVIDDSA-N 2 1 267.373 -0.227 20 0 CBADMP C[NH+]1C[C@H]2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001529329910 922887660 /nfs/dbraw/zinc/88/76/60/922887660.db2.gz WOYXIBFZHRZRMM-LPWJVIDDSA-N 2 1 267.373 -0.227 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001530448845 922939236 /nfs/dbraw/zinc/93/92/36/922939236.db2.gz OMLOQAMHKQULAL-LBPRGKRZSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001530448845 922939246 /nfs/dbraw/zinc/93/92/46/922939246.db2.gz OMLOQAMHKQULAL-LBPRGKRZSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001530448845 922939255 /nfs/dbraw/zinc/93/92/55/922939255.db2.gz OMLOQAMHKQULAL-LBPRGKRZSA-N 2 1 296.415 -0.395 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001536510985 923216164 /nfs/dbraw/zinc/21/61/64/923216164.db2.gz PARGUOLQQWPUFS-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CCN1CC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001543383394 923289071 /nfs/dbraw/zinc/28/90/71/923289071.db2.gz KIDQNWHOWKKPDW-RYUDHWBXSA-N 2 1 254.378 -0.557 20 0 CBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001548554286 923375138 /nfs/dbraw/zinc/37/51/38/923375138.db2.gz FQWYXCYLYDFXPT-LLVKDONJSA-N 3 1 293.371 -0.518 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548553340 923375633 /nfs/dbraw/zinc/37/56/33/923375633.db2.gz SIHFSRMLNGJFFB-BZPMIXESSA-N 2 1 267.373 -0.177 20 0 CBADMP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC001548557598 923378828 /nfs/dbraw/zinc/37/88/28/923378828.db2.gz XNHBRWAFLXZRFY-CABZTGNLSA-N 2 1 277.315 -0.444 20 0 CBADMP O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC001548557599 923380552 /nfs/dbraw/zinc/38/05/52/923380552.db2.gz XNHBRWAFLXZRFY-JOYOIKCWSA-N 2 1 277.315 -0.444 20 0 CBADMP COc1ccccc1[C@@H]([NH3+])C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001548568656 923391210 /nfs/dbraw/zinc/39/12/10/923391210.db2.gz IVMWLNMSBFCRFK-ZWNOBZJWSA-N 2 1 291.351 -0.058 20 0 CBADMP O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001548569694 923391425 /nfs/dbraw/zinc/39/14/25/923391425.db2.gz RGQOUGZHVMMCLQ-DZGCQCFKSA-N 2 1 297.399 -0.576 20 0 CBADMP O=C([C@H]1CSC[NH2+]1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001548589993 923406285 /nfs/dbraw/zinc/40/62/85/923406285.db2.gz KGJCCZAJKWTHEE-LLVKDONJSA-N 2 1 271.386 -0.372 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001548628981 923415208 /nfs/dbraw/zinc/41/52/08/923415208.db2.gz YTWWCUNELNXOKP-UKRRQHHQSA-N 2 1 292.427 -0.071 20 0 CBADMP CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)CC1 ZINC001548643797 923425326 /nfs/dbraw/zinc/42/53/26/923425326.db2.gz VIMBKAKZMUKPLJ-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001548643797 923425334 /nfs/dbraw/zinc/42/53/34/923425334.db2.gz VIMBKAKZMUKPLJ-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548643797 923425339 /nfs/dbraw/zinc/42/53/39/923425339.db2.gz VIMBKAKZMUKPLJ-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC001548644740 923428233 /nfs/dbraw/zinc/42/82/33/923428233.db2.gz WBINMDPLKRTHTN-SNPRPXQTSA-N 2 1 292.427 -0.073 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC001548643463 923428392 /nfs/dbraw/zinc/42/83/92/923428392.db2.gz LSUUJEMEGXTQEO-MGPQQGTHSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC001548643463 923428403 /nfs/dbraw/zinc/42/84/03/923428403.db2.gz LSUUJEMEGXTQEO-MGPQQGTHSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001548643463 923428412 /nfs/dbraw/zinc/42/84/12/923428412.db2.gz LSUUJEMEGXTQEO-MGPQQGTHSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1([NH+](C)C)CCC1 ZINC001548690498 923454318 /nfs/dbraw/zinc/45/43/18/923454318.db2.gz OWTPZQPASSHHRP-STQMWFEESA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC001548694724 923458208 /nfs/dbraw/zinc/45/82/08/923458208.db2.gz YZBZNQXJMHYGLS-OLZOCXBDSA-N 2 1 278.400 -0.461 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CCn2cncc2C1 ZINC001548723974 923474727 /nfs/dbraw/zinc/47/47/27/923474727.db2.gz FLPZZPFMSOMQSJ-YRGRVCCFSA-N 2 1 289.383 -0.298 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC001548728069 923481728 /nfs/dbraw/zinc/48/17/28/923481728.db2.gz RTQIAHJEVYOFLZ-XNRPHZJLSA-N 2 1 292.427 -0.025 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)C1 ZINC001548745577 923490253 /nfs/dbraw/zinc/49/02/53/923490253.db2.gz DYPKJJZZOIJUKR-TZMCWYRMSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)C1 ZINC001548745577 923490256 /nfs/dbraw/zinc/49/02/56/923490256.db2.gz DYPKJJZZOIJUKR-TZMCWYRMSA-N 2 1 285.388 -0.768 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC001549042987 923525656 /nfs/dbraw/zinc/52/56/56/923525656.db2.gz HWJBTISPLNSQPD-WOPDTQHZSA-N 2 1 294.330 -0.719 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC001549042834 923526553 /nfs/dbraw/zinc/52/65/53/923526553.db2.gz DKIJMMHJUDAHIJ-GHMZBOCLSA-N 2 1 263.345 -0.498 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1)N1CC[NH+](C)CC1 ZINC001549045134 923532973 /nfs/dbraw/zinc/53/29/73/923532973.db2.gz WJNROOQCNOUSHW-MCIONIFRSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1)N1CC[NH+](C)CC1 ZINC001549045133 923537283 /nfs/dbraw/zinc/53/72/83/923537283.db2.gz WJNROOQCNOUSHW-HZSPNIEDSA-N 2 1 296.415 -0.788 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC001549045224 923537916 /nfs/dbraw/zinc/53/79/16/923537916.db2.gz ORSAIVRSGAQQKF-VXGBXAGGSA-N 2 1 277.372 -0.107 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001549045252 923537950 /nfs/dbraw/zinc/53/79/50/923537950.db2.gz RHTKZGDWDSJDQR-WDEREUQCSA-N 2 1 281.360 -0.743 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001549045434 923539576 /nfs/dbraw/zinc/53/95/76/923539576.db2.gz YMRUXMFXFZCXLS-WHOHXGKFSA-N 2 1 275.356 -0.642 20 0 CBADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC001549046881 923543592 /nfs/dbraw/zinc/54/35/92/923543592.db2.gz YRTMPADEGYQMAS-ZYHUDNBSSA-N 2 1 282.388 -0.574 20 0 CBADMP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)C1 ZINC001549049191 923547517 /nfs/dbraw/zinc/54/75/17/923547517.db2.gz INJFACOWNVHMGW-RDBSUJKOSA-N 2 1 297.399 -0.280 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC001549051394 923548927 /nfs/dbraw/zinc/54/89/27/923548927.db2.gz VFXJGKHCYCTDCH-GMXVVIOVSA-N 2 1 253.346 -0.282 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@H](c2ccccc2F)C1 ZINC001549050065 923549502 /nfs/dbraw/zinc/54/95/02/923549502.db2.gz LOCUHGCTJPENOA-DLOVCJGASA-N 2 1 294.330 -0.719 20 0 CBADMP C[C@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC001549212001 923571640 /nfs/dbraw/zinc/57/16/40/923571640.db2.gz RSYXYIGICJEEPZ-OYNVLQORSA-N 2 1 296.415 -0.165 20 0 CBADMP O[C@@H]1C[C@@H]2CN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC[N@H+]2C1 ZINC001549284319 923578424 /nfs/dbraw/zinc/57/84/24/923578424.db2.gz UKANGNVMQXWQQQ-UPJWGTAASA-N 2 1 267.373 -0.742 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1OCC[C@H]1C[NH3+] ZINC001549292543 923581548 /nfs/dbraw/zinc/58/15/48/923581548.db2.gz BVGBHFOYPMEBKI-SRVKXCTJSA-N 2 1 293.371 -0.743 20 0 CBADMP O=C(NCc1cnn2c1C[NH2+]CC2)[C@H]1CCCC[NH2+]C1 ZINC001549722672 923630912 /nfs/dbraw/zinc/63/09/12/923630912.db2.gz XZBPYOUWKWHRBE-NSHDSACASA-N 2 1 277.372 -0.008 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@H]3C[NH3+])CC[C@H]21 ZINC001549883666 923644583 /nfs/dbraw/zinc/64/45/83/923644583.db2.gz VROGXJJOFUOARI-UMSGYPCISA-N 2 1 267.373 -0.097 20 0 CBADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001550074001 923665917 /nfs/dbraw/zinc/66/59/17/923665917.db2.gz DYEKFEOROZWFCB-GARJFASQSA-N 2 1 253.346 -0.236 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001550073999 923666332 /nfs/dbraw/zinc/66/63/32/923666332.db2.gz DYEKFEOROZWFCB-AXFHLTTASA-N 2 1 253.346 -0.236 20 0 CBADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550084837 923669022 /nfs/dbraw/zinc/66/90/22/923669022.db2.gz FKBBUHMYDAGJOI-QJPTWQEYSA-N 2 1 267.373 -0.131 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550088255 923673480 /nfs/dbraw/zinc/67/34/80/923673480.db2.gz QOBUYQHFRZFWSR-LBPRGKRZSA-N 2 1 289.343 -0.366 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC001550095242 923677182 /nfs/dbraw/zinc/67/71/82/923677182.db2.gz HRRZWJNLPGJFDQ-AAEUAGOBSA-N 2 1 292.387 -0.148 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC001550095248 923679986 /nfs/dbraw/zinc/67/99/86/923679986.db2.gz HRRZWJNLPGJFDQ-YPMHNXCESA-N 2 1 292.387 -0.148 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)c3cn(CCC[NH3+])nn3)CC[C@H]21 ZINC001550104431 923683529 /nfs/dbraw/zinc/68/35/29/923683529.db2.gz NISGYORBLWEFTL-DGCLKSJQSA-N 2 1 292.387 -0.207 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)C2)CC1 ZINC001550116768 923689515 /nfs/dbraw/zinc/68/95/15/923689515.db2.gz RPJWOOXYEPNBHI-MELADBBJSA-N 2 1 280.416 -0.038 20 0 CBADMP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001550117074 923691182 /nfs/dbraw/zinc/69/11/82/923691182.db2.gz UMEVUMYVLDSXHJ-QWHCGFSZSA-N 2 1 268.405 -0.038 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC23CC(C[NH3+])(C2)C3)O1 ZINC001550117927 923691760 /nfs/dbraw/zinc/69/17/60/923691760.db2.gz LCUCGVHOSSGKHM-ITSCGTHASA-N 2 1 253.346 -0.297 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC23CC(C[NH3+])(C2)C3)O1 ZINC001550117927 923691776 /nfs/dbraw/zinc/69/17/76/923691776.db2.gz LCUCGVHOSSGKHM-ITSCGTHASA-N 2 1 253.346 -0.297 20 0 CBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CC[NH2+]C[C@@H](O)C1 ZINC001550738826 923742778 /nfs/dbraw/zinc/74/27/78/923742778.db2.gz CSOMUCOZJDIMOT-MGPQQGTHSA-N 2 1 296.415 -0.021 20 0 CBADMP NC(=O)[C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC001551395352 923772900 /nfs/dbraw/zinc/77/29/00/923772900.db2.gz RBAKEQDRKFDPCO-JMSVASOKSA-N 2 1 279.384 -0.048 20 0 CBADMP O=C([C@@H]1[C@H]2[NH2+]CCO[C@H]21)N1CC[NH2+]CCC12CCOCC2 ZINC001551462937 923796667 /nfs/dbraw/zinc/79/66/67/923796667.db2.gz FCFNCBMWSARTAA-UPJWGTAASA-N 2 1 295.383 -0.656 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)CC1 ZINC001551585608 923804787 /nfs/dbraw/zinc/80/47/87/923804787.db2.gz ZPKCIHZYGCINCO-KTEZZQQRSA-N 2 1 282.388 -0.426 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)CC1 ZINC001551585606 923805744 /nfs/dbraw/zinc/80/57/44/923805744.db2.gz ZPKCIHZYGCINCO-JJMZSNKZSA-N 2 1 282.388 -0.426 20 0 CBADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551618860 923808333 /nfs/dbraw/zinc/80/83/33/923808333.db2.gz YWVKTNYICNILDW-NCBWTUBMSA-N 2 1 296.415 -0.037 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552167939 923844642 /nfs/dbraw/zinc/84/46/42/923844642.db2.gz ZWUHWZYPBRGGMP-GHMZBOCLSA-N 2 1 278.360 -0.506 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552200452 923855711 /nfs/dbraw/zinc/85/57/11/923855711.db2.gz CLKDGBLJAFYSMI-GYSYKLTISA-N 2 1 265.357 -0.425 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201996 923858118 /nfs/dbraw/zinc/85/81/18/923858118.db2.gz YZBMLYSFEJYXCR-RGCMKSIDSA-N 2 1 295.383 -0.798 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[C@H]1C ZINC001552201833 923858324 /nfs/dbraw/zinc/85/83/24/923858324.db2.gz ZKBFRKRAJVULFR-COMQUAJESA-N 2 1 297.399 -0.864 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[C@H]1C ZINC001552201833 923858331 /nfs/dbraw/zinc/85/83/31/923858331.db2.gz ZKBFRKRAJVULFR-COMQUAJESA-N 2 1 297.399 -0.864 20 0 CBADMP C[N@@H+]1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1(C)C ZINC001552280396 923879893 /nfs/dbraw/zinc/87/98/93/923879893.db2.gz ARNHPSRDJMPXQD-NSHDSACASA-N 2 1 292.387 -0.021 20 0 CBADMP C[N@H+]1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1(C)C ZINC001552280396 923879899 /nfs/dbraw/zinc/87/98/99/923879899.db2.gz ARNHPSRDJMPXQD-NSHDSACASA-N 2 1 292.387 -0.021 20 0 CBADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N1C[C@@H]([NH3+])[C@@H](N)C1 ZINC001552293446 923881792 /nfs/dbraw/zinc/88/17/92/923881792.db2.gz PVRLWLKVIQQDDV-NDBYEHHHSA-N 2 1 281.404 -0.365 20 0 CBADMP Cc1c(C(=O)NC[C@H]2CC[N@H+](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552434503 923903961 /nfs/dbraw/zinc/90/39/61/923903961.db2.gz SYNCWHRYXSOPJG-VXGBXAGGSA-N 2 1 292.387 -0.198 20 0 CBADMP C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001552808288 923921111 /nfs/dbraw/zinc/92/11/11/923921111.db2.gz ZNZQNDXBBJFWCB-KGLIPLIRSA-N 2 1 297.447 -0.032 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)NCC3([NH3+])CCC3)C2)CC1 ZINC001552954625 923926681 /nfs/dbraw/zinc/92/66/81/923926681.db2.gz XLJQHEWUQFSJBT-CYBMUJFWSA-N 2 1 295.431 -0.101 20 0 CBADMP CN1CC[NH+]([C@H]2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)C2)CC1 ZINC001552954901 923927248 /nfs/dbraw/zinc/92/72/48/923927248.db2.gz NESXYRNPLZVIPM-KBPBESRZSA-N 2 1 295.431 -0.230 20 0 CBADMP N[C@H]1CN(C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001552959915 923927626 /nfs/dbraw/zinc/92/76/26/923927626.db2.gz IGXWRKDEPLYVIV-MBNYWOFBSA-N 2 1 281.404 -0.458 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001552955962 923928258 /nfs/dbraw/zinc/92/82/58/923928258.db2.gz QFIIIAXEEIMFEZ-STQMWFEESA-N 2 1 283.420 -0.245 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001552959416 923928305 /nfs/dbraw/zinc/92/83/05/923928305.db2.gz WOFRIWGMBKDMJH-MJBXVCDLSA-N 2 1 295.431 -0.232 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001552954579 923928740 /nfs/dbraw/zinc/92/87/40/923928740.db2.gz LHMKKAUWMNXNOC-ZIAGYGMSSA-N 2 1 295.431 -0.230 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@@H]([NH3+])C3CC3)C2)CC1 ZINC001552954563 923928795 /nfs/dbraw/zinc/92/87/95/923928795.db2.gz DQJBHMIATKCTQT-ZIAGYGMSSA-N 2 1 295.431 -0.245 20 0 CBADMP CC[C@H]1C(=O)N(C)CC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001553013613 923935332 /nfs/dbraw/zinc/93/53/32/923935332.db2.gz BXERXHWBIFDVLF-RYUDHWBXSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[C@H]1C(=O)N(C)CC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001553013613 923935338 /nfs/dbraw/zinc/93/53/38/923935338.db2.gz BXERXHWBIFDVLF-RYUDHWBXSA-N 2 1 267.373 -0.083 20 0 CBADMP CCO[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C[NH3+] ZINC001553014108 923935501 /nfs/dbraw/zinc/93/55/01/923935501.db2.gz MSCMYZSHEBWTOR-YNEHKIRRSA-N 3 1 269.389 -0.340 20 0 CBADMP CCO[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C[NH3+] ZINC001553014108 923935506 /nfs/dbraw/zinc/93/55/06/923935506.db2.gz MSCMYZSHEBWTOR-YNEHKIRRSA-N 2 1 269.389 -0.340 20 0 CBADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCC([NH3+])CC3)C[NH2+]C[C@H]2C1 ZINC001553345831 923950355 /nfs/dbraw/zinc/95/03/55/923950355.db2.gz XRTJHHHMSCMREV-SMDDNHRTSA-N 3 1 266.389 -0.523 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)N3CCC([NH3+])CC3)C[NH2+]C[C@H]2C1 ZINC001553345831 923950362 /nfs/dbraw/zinc/95/03/62/923950362.db2.gz XRTJHHHMSCMREV-SMDDNHRTSA-N 3 1 266.389 -0.523 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)C1 ZINC001553348118 923952469 /nfs/dbraw/zinc/95/24/69/923952469.db2.gz IQXLXTGGVSXHQY-OUCADQQQSA-N 3 1 266.389 -0.652 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)C1 ZINC001553348118 923952480 /nfs/dbraw/zinc/95/24/80/923952480.db2.gz IQXLXTGGVSXHQY-OUCADQQQSA-N 3 1 266.389 -0.652 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC[C@@H]3CCCC[NH2+]3)C[NH2+]C[C@@H]2C1 ZINC001553352004 923952513 /nfs/dbraw/zinc/95/25/13/923952513.db2.gz LWTCJUQQKIMZEY-IPYPFGDCSA-N 3 1 280.416 -0.214 20 0 CBADMP CN1CC[C@]2(C(=O)NC[C@@H]3CCCC[NH2+]3)C[NH2+]C[C@@H]2C1 ZINC001553352004 923952526 /nfs/dbraw/zinc/95/25/26/923952526.db2.gz LWTCJUQQKIMZEY-IPYPFGDCSA-N 2 1 280.416 -0.214 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553353462 923956168 /nfs/dbraw/zinc/95/61/68/923956168.db2.gz DTOHFVUKKHDTBJ-OUCADQQQSA-N 3 1 268.405 -0.373 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@]12C[NH2+]C[C@H]1CN(C)CC2 ZINC001553353462 923956180 /nfs/dbraw/zinc/95/61/80/923956180.db2.gz DTOHFVUKKHDTBJ-OUCADQQQSA-N 2 1 268.405 -0.373 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NCC[C@H]3CC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553352166 923956312 /nfs/dbraw/zinc/95/63/12/923956312.db2.gz GZAKOWSZSLAUJO-IPYPFGDCSA-N 3 1 280.416 -0.357 20 0 CBADMP CN1CC[C@]2(C(=O)NCC[C@H]3CC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553352166 923956324 /nfs/dbraw/zinc/95/63/24/923956324.db2.gz GZAKOWSZSLAUJO-IPYPFGDCSA-N 2 1 280.416 -0.357 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@@H](C[NH3+])C3CC3)C[NH2+]C[C@@H]2C1 ZINC001553355602 923957046 /nfs/dbraw/zinc/95/70/46/923957046.db2.gz BOFABLYHDGOHCC-DYEKYZERSA-N 3 1 266.389 -0.619 20 0 CBADMP CN1CC[C@]2(C(=O)N[C@@H](C[NH3+])C3CC3)C[NH2+]C[C@@H]2C1 ZINC001553355602 923957062 /nfs/dbraw/zinc/95/70/62/923957062.db2.gz BOFABLYHDGOHCC-DYEKYZERSA-N 2 1 266.389 -0.619 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC[C@@H]3CCC[NH2+]3)C[NH2+]C[C@H]2C1 ZINC001553355455 923958030 /nfs/dbraw/zinc/95/80/30/923958030.db2.gz YCVRNRAZPYZOJC-OBJOEFQTSA-N 3 1 266.389 -0.604 20 0 CBADMP CN1CC[C@]2(C(=O)NC[C@@H]3CCC[NH2+]3)C[NH2+]C[C@H]2C1 ZINC001553355455 923958039 /nfs/dbraw/zinc/95/80/39/923958039.db2.gz YCVRNRAZPYZOJC-OBJOEFQTSA-N 2 1 266.389 -0.604 20 0 CBADMP CN(C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2)[C@@H]1CC[NH2+]C1 ZINC001553358071 923959602 /nfs/dbraw/zinc/95/96/02/923959602.db2.gz KKIUTFUDDATYKB-BZPMIXESSA-N 3 1 266.389 -0.652 20 0 CBADMP CN(C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2)[C@@H]1CC[NH2+]C1 ZINC001553358071 923959609 /nfs/dbraw/zinc/95/96/09/923959609.db2.gz KKIUTFUDDATYKB-BZPMIXESSA-N 3 1 266.389 -0.652 20 0 CBADMP CN(CC(C)(C)C[NH3+])C(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553358457 923961904 /nfs/dbraw/zinc/96/19/04/923961904.db2.gz HVKAFPSSTNUUMM-IUODEOHRSA-N 3 1 282.432 -0.029 20 0 CBADMP CN(CC(C)(C)C[NH3+])C(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553358457 923961922 /nfs/dbraw/zinc/96/19/22/923961922.db2.gz HVKAFPSSTNUUMM-IUODEOHRSA-N 3 1 282.432 -0.029 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)C1 ZINC001553355979 923962845 /nfs/dbraw/zinc/96/28/45/923962845.db2.gz QLJGOHGIPDRWHR-NFAWXSAZSA-N 3 1 280.416 -0.262 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)C1 ZINC001553355979 923962857 /nfs/dbraw/zinc/96/28/57/923962857.db2.gz QLJGOHGIPDRWHR-NFAWXSAZSA-N 3 1 280.416 -0.262 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC[C@H]3CCCO3)C[NH2+]C[C@@H]2C1 ZINC001553362675 923963853 /nfs/dbraw/zinc/96/38/53/923963853.db2.gz RPTRCSYESQNCIA-BZPMIXESSA-N 2 1 267.373 -0.177 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CCOCC3)C[NH2+]C[C@@H]2C1 ZINC001553364219 923964048 /nfs/dbraw/zinc/96/40/48/923964048.db2.gz XKRSYRSFRROFHP-YPMHNXCESA-N 2 1 253.346 -0.614 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CCOCC3)C[NH2+]C[C@@H]2C1 ZINC001553364219 923964058 /nfs/dbraw/zinc/96/40/58/923964058.db2.gz XKRSYRSFRROFHP-YPMHNXCESA-N 2 1 253.346 -0.614 20 0 CBADMP CCN(CC(=O)N(C)C)C(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553396838 923971131 /nfs/dbraw/zinc/97/11/31/923971131.db2.gz LMJQQSUNKKQKQZ-SWLSCSKDSA-N 2 1 296.415 -0.536 20 0 CBADMP CCN(CC(=O)N(C)C)C(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553396838 923971135 /nfs/dbraw/zinc/97/11/35/923971135.db2.gz LMJQQSUNKKQKQZ-SWLSCSKDSA-N 2 1 296.415 -0.536 20 0 CBADMP Cn1nccc1CNC(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553402128 923971489 /nfs/dbraw/zinc/97/14/89/923971489.db2.gz MFOSEFHTEDJSDG-SMDDNHRTSA-N 2 1 277.372 -0.422 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)n1C ZINC001553407804 923979990 /nfs/dbraw/zinc/97/99/90/923979990.db2.gz HLAIVUGARPUCFY-SDDRHHMPSA-N 2 1 293.371 -0.378 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553409372 923983582 /nfs/dbraw/zinc/98/35/82/923983582.db2.gz JXKRXHUKBDYSDK-RNJOBUHISA-N 2 1 283.372 -0.657 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553410362 923983676 /nfs/dbraw/zinc/98/36/76/923983676.db2.gz KXRHPDIZAWCPCY-RFGFWPKPSA-N 2 1 297.399 -0.267 20 0 CBADMP C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553408987 923983715 /nfs/dbraw/zinc/98/37/15/923983715.db2.gz KKFXAKLGRLOQAQ-SRVKXCTJSA-N 2 1 253.346 -0.330 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553415056 923991154 /nfs/dbraw/zinc/99/11/54/923991154.db2.gz YBRCRKRIOSGWMN-MELADBBJSA-N 2 1 297.399 -0.314 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553439886 924002260 /nfs/dbraw/zinc/00/22/60/924002260.db2.gz WLIRDYVDTGRPDH-KKOKHZNYSA-N 2 1 252.362 -0.073 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1)[C@H]1C[N@H+](C)CCO1 ZINC001553460771 924004508 /nfs/dbraw/zinc/00/45/08/924004508.db2.gz AYYGOOPUBNZKAR-JZRPKSSGSA-N 2 1 282.388 -0.448 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1)[C@H]1C[N@@H+](C)CCO1 ZINC001553460771 924004520 /nfs/dbraw/zinc/00/45/20/924004520.db2.gz AYYGOOPUBNZKAR-JZRPKSSGSA-N 2 1 282.388 -0.448 20 0 CBADMP O=C(NC1CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553489347 924008491 /nfs/dbraw/zinc/00/84/91/924008491.db2.gz DMNPNBBEZRKCLR-ZIAGYGMSSA-N 2 1 296.415 -0.021 20 0 CBADMP CC(C)([NH3+])CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001553499095 924012159 /nfs/dbraw/zinc/01/21/59/924012159.db2.gz YFRJQWFFHRSLLW-VXGBXAGGSA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@H]([NH3+])CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553502680 924015557 /nfs/dbraw/zinc/01/55/57/924015557.db2.gz KSXHCGAKJLMWJG-SRVKXCTJSA-N 2 1 270.377 -0.426 20 0 CBADMP C[C@H]([NH3+])CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553502682 924017852 /nfs/dbraw/zinc/01/78/52/924017852.db2.gz KSXHCGAKJLMWJG-TUAOUCFPSA-N 2 1 270.377 -0.426 20 0 CBADMP [NH3+]CC1(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC001553534688 924025323 /nfs/dbraw/zinc/02/53/23/924025323.db2.gz YTXVUVIDTQJJJN-STQMWFEESA-N 2 1 296.415 -0.034 20 0 CBADMP C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001553648529 924031077 /nfs/dbraw/zinc/03/10/77/924031077.db2.gz LPWRMUNSDNHXBB-NEPJUHHUSA-N 2 1 267.373 -0.347 20 0 CBADMP C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)[C@@H](O)C1 ZINC001553647085 924031714 /nfs/dbraw/zinc/03/17/14/924031714.db2.gz GIVRUJYVKBMSNY-LOWDOPEQSA-N 2 1 267.373 -0.206 20 0 CBADMP C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)[C@@H](O)C1 ZINC001553647085 924031728 /nfs/dbraw/zinc/03/17/28/924031728.db2.gz GIVRUJYVKBMSNY-LOWDOPEQSA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)[C@@H](O)C1 ZINC001553647085 924031748 /nfs/dbraw/zinc/03/17/48/924031748.db2.gz GIVRUJYVKBMSNY-LOWDOPEQSA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)[C@@H](O)C1 ZINC001553647085 924031760 /nfs/dbraw/zinc/03/17/60/924031760.db2.gz GIVRUJYVKBMSNY-LOWDOPEQSA-N 2 1 267.373 -0.206 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001558549172 924180599 /nfs/dbraw/zinc/18/05/99/924180599.db2.gz NVMVDAWJJBCNHC-NSHDSACASA-N 2 1 264.329 -0.219 20 0 CBADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000113514966 282121942 /nfs/dbraw/zinc/12/19/42/282121942.db2.gz BZAMHAMCSYIUDT-UONOGXRCSA-N 2 1 271.405 -0.437 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]21 ZINC000125345757 187180495 /nfs/dbraw/zinc/18/04/95/187180495.db2.gz VFIKDHMYUKCGPI-RWMBFGLXSA-N 2 1 267.373 -0.096 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000126075125 187215073 /nfs/dbraw/zinc/21/50/73/187215073.db2.gz PUPGFWGVBWDMDK-AAEUAGOBSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000126074890 187215409 /nfs/dbraw/zinc/21/54/09/187215409.db2.gz PUPGFWGVBWDMDK-YPMHNXCESA-N 2 1 284.404 -0.314 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000126161921 187221986 /nfs/dbraw/zinc/22/19/86/187221986.db2.gz UVTHORDXSCUTQE-AAEUAGOBSA-N 2 1 284.404 -0.456 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@@H+](C)C1CC1 ZINC000126320650 187232396 /nfs/dbraw/zinc/23/23/96/187232396.db2.gz CLZMECBFHYRDPY-LBPRGKRZSA-N 2 1 270.377 -0.704 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000351516539 219112344 /nfs/dbraw/zinc/11/23/44/219112344.db2.gz GHDQHTHIOBVDHA-RYUDHWBXSA-N 2 1 280.372 -0.839 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000351541902 219121645 /nfs/dbraw/zinc/12/16/45/219121645.db2.gz QKLNJFWREIXDCU-STQMWFEESA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000351556824 219125052 /nfs/dbraw/zinc/12/50/52/219125052.db2.gz HNAWCGKZSBPABA-IJLUTSLNSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000351556396 219125542 /nfs/dbraw/zinc/12/55/42/219125542.db2.gz NZOLKQFZOQUPAO-NQBHXWOUSA-N 2 1 294.399 -0.404 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000351555655 219126027 /nfs/dbraw/zinc/12/60/27/219126027.db2.gz MBGGGYRABHYJDQ-LBPRGKRZSA-N 2 1 280.372 -0.839 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351567719 219127740 /nfs/dbraw/zinc/12/77/40/219127740.db2.gz MKFJVZLTLHRFRX-WDEREUQCSA-N 2 1 268.361 -0.935 20 0 CBADMP C[NH2+]CC(=O)N1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000376586099 529956189 /nfs/dbraw/zinc/95/61/89/529956189.db2.gz JNZOUKLMFXKEQT-OLZOCXBDSA-N 2 1 284.404 -0.931 20 0 CBADMP C[NH2+]CC(=O)N1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000376586099 529956191 /nfs/dbraw/zinc/95/61/91/529956191.db2.gz JNZOUKLMFXKEQT-OLZOCXBDSA-N 2 1 284.404 -0.931 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351569029 219130467 /nfs/dbraw/zinc/13/04/67/219130467.db2.gz NJRXRJWRYGYHOY-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@]2(C)C(N)=O)CC1 ZINC000366981267 530066905 /nfs/dbraw/zinc/06/69/05/530066905.db2.gz JWRJVNIBPZIHHZ-OAHLLOKOSA-N 2 1 296.415 -0.120 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@]2(C)C(N)=O)CC1 ZINC000366981267 530066906 /nfs/dbraw/zinc/06/69/06/530066906.db2.gz JWRJVNIBPZIHHZ-OAHLLOKOSA-N 2 1 296.415 -0.120 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000338301266 530067416 /nfs/dbraw/zinc/06/74/16/530067416.db2.gz FXVZIWAITWGGAQ-IHRRRGAJSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000338301266 530067417 /nfs/dbraw/zinc/06/74/17/530067417.db2.gz FXVZIWAITWGGAQ-IHRRRGAJSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000246504842 290104531 /nfs/dbraw/zinc/10/45/31/290104531.db2.gz QDBSTAVHFJWIQP-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000246504842 290104533 /nfs/dbraw/zinc/10/45/33/290104533.db2.gz QDBSTAVHFJWIQP-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+](CCC(=O)N1CCOCC1)[C@@H](C[NH3+])C1CC1 ZINC000359904020 282398670 /nfs/dbraw/zinc/39/86/70/282398670.db2.gz CELAZDKTCUDVIC-LBPRGKRZSA-N 2 1 255.362 -0.096 20 0 CBADMP C[N@@H+](CCC(=O)N1CCOCC1)[C@@H](C[NH3+])C1CC1 ZINC000359904020 282398671 /nfs/dbraw/zinc/39/86/71/282398671.db2.gz CELAZDKTCUDVIC-LBPRGKRZSA-N 2 1 255.362 -0.096 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085370816 179040868 /nfs/dbraw/zinc/04/08/68/179040868.db2.gz AVDVWEFVKWGRQK-OLZOCXBDSA-N 2 1 268.405 -0.133 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](O)C2)CC1 ZINC000351776036 219203111 /nfs/dbraw/zinc/20/31/11/219203111.db2.gz XNUKRIZNZYVONO-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000351855825 219228887 /nfs/dbraw/zinc/22/88/87/219228887.db2.gz UANYRTXTSOGWMP-GHMZBOCLSA-N 2 1 263.407 -0.063 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)NCCC[NH+]1CCOCC1 ZINC000128881952 187396249 /nfs/dbraw/zinc/39/62/49/187396249.db2.gz PUMAQXFJHZIFAC-GFCCVEGCSA-N 2 1 271.361 -0.797 20 0 CBADMP CN(C)[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000091393954 180145832 /nfs/dbraw/zinc/14/58/32/180145832.db2.gz XKHNAUWUUKDNPJ-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CN(C)[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000091393954 180145834 /nfs/dbraw/zinc/14/58/34/180145834.db2.gz XKHNAUWUUKDNPJ-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH2+]CCCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668824 180224780 /nfs/dbraw/zinc/22/47/80/180224780.db2.gz STQPLQXNOYTTFU-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000352098534 219321302 /nfs/dbraw/zinc/32/13/02/219321302.db2.gz RPNQSGVCFDJNMM-WCQYABFASA-N 2 1 273.377 -0.864 20 0 CBADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000352098534 219321306 /nfs/dbraw/zinc/32/13/06/219321306.db2.gz RPNQSGVCFDJNMM-WCQYABFASA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2C)C1 ZINC000352152977 219339747 /nfs/dbraw/zinc/33/97/47/219339747.db2.gz KHJCJAZETPRRFM-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2C)C1 ZINC000352152977 219339748 /nfs/dbraw/zinc/33/97/48/219339748.db2.gz KHJCJAZETPRRFM-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000352152977 219339751 /nfs/dbraw/zinc/33/97/51/219339751.db2.gz KHJCJAZETPRRFM-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000352152977 219339752 /nfs/dbraw/zinc/33/97/52/219339752.db2.gz KHJCJAZETPRRFM-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000130347338 282708959 /nfs/dbraw/zinc/70/89/59/282708959.db2.gz XLCRONHHJGDVSP-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP C[NH+](C)CCNC(=O)NCCC[NH+]1CCOCC1 ZINC000133319345 282715517 /nfs/dbraw/zinc/71/55/17/282715517.db2.gz RAVGEWREOIXIPK-UHFFFAOYSA-N 2 1 258.366 -0.431 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000037117177 351396983 /nfs/dbraw/zinc/39/69/83/351396983.db2.gz REXGAPQHMLXBQY-GFCCVEGCSA-N 2 1 255.362 -0.033 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C[NH2+]CC1CC1 ZINC000375058857 282756067 /nfs/dbraw/zinc/75/60/67/282756067.db2.gz LXRVZIWRNWRTAU-LBPRGKRZSA-N 2 1 277.372 -0.107 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298956 351526258 /nfs/dbraw/zinc/52/62/58/351526258.db2.gz LRRJYURAFPZMCT-UHFFFAOYSA-N 2 1 270.377 -0.735 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@@H](C)C[NH3+])N1CC[NH+](C)CC1 ZINC000054343511 351534804 /nfs/dbraw/zinc/53/48/04/351534804.db2.gz BHKSPPHDOARNDU-STQMWFEESA-N 2 1 270.421 -0.031 20 0 CBADMP Cn1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000063178725 351580331 /nfs/dbraw/zinc/58/03/31/351580331.db2.gz CKWFPKDBUZVZQH-GFCCVEGCSA-N 2 1 265.361 -0.293 20 0 CBADMP CCOC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179650 351580622 /nfs/dbraw/zinc/58/06/22/351580622.db2.gz IJBGKZVGXLRYTI-SNVBAGLBSA-N 2 1 257.334 -0.664 20 0 CBADMP CCOC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179650 351580623 /nfs/dbraw/zinc/58/06/23/351580623.db2.gz IJBGKZVGXLRYTI-SNVBAGLBSA-N 2 1 257.334 -0.664 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000070174114 351635296 /nfs/dbraw/zinc/63/52/96/351635296.db2.gz SOPGWWSJIQKLCN-NXEZZACHSA-N 2 1 254.334 -0.403 20 0 CBADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000070170987 351635551 /nfs/dbraw/zinc/63/55/51/351635551.db2.gz SXPNOGVGBVAMGH-JTQLQIEISA-N 2 1 254.334 -0.401 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000071875875 351644397 /nfs/dbraw/zinc/64/43/97/351644397.db2.gz GVYPSDAQKKRKCE-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000071875875 351644401 /nfs/dbraw/zinc/64/44/01/351644401.db2.gz GVYPSDAQKKRKCE-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068807723 351621543 /nfs/dbraw/zinc/62/15/43/351621543.db2.gz ZISLPHYSBAHTAN-VXGBXAGGSA-N 2 1 256.394 -0.134 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000068807528 351622128 /nfs/dbraw/zinc/62/21/28/351622128.db2.gz WQDYSXUFEVUGMA-GFCCVEGCSA-N 2 1 254.378 -0.510 20 0 CBADMP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000068807499 351622346 /nfs/dbraw/zinc/62/23/46/351622346.db2.gz TUTQCKZGCZAJKM-AAEUAGOBSA-N 2 1 256.394 -0.134 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000068807913 351623978 /nfs/dbraw/zinc/62/39/78/351623978.db2.gz FAOXJPHZWKMHLV-NWDGAFQWSA-N 2 1 254.378 -0.510 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000080994841 351701735 /nfs/dbraw/zinc/70/17/35/351701735.db2.gz HROVFSBBVYJBRR-ZDUSSCGKSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081234250 351702850 /nfs/dbraw/zinc/70/28/50/351702850.db2.gz JZQWOZGKGYXTTG-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081234250 351702853 /nfs/dbraw/zinc/70/28/53/351702853.db2.gz JZQWOZGKGYXTTG-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081234250 351702855 /nfs/dbraw/zinc/70/28/55/351702855.db2.gz JZQWOZGKGYXTTG-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081234250 351702858 /nfs/dbraw/zinc/70/28/58/351702858.db2.gz JZQWOZGKGYXTTG-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000081315370 351704300 /nfs/dbraw/zinc/70/43/00/351704300.db2.gz WYAAIEIRQAXLOR-LBPRGKRZSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000081315370 351704306 /nfs/dbraw/zinc/70/43/06/351704306.db2.gz WYAAIEIRQAXLOR-LBPRGKRZSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH+](C)CCOC)C1 ZINC000081255935 351704816 /nfs/dbraw/zinc/70/48/16/351704816.db2.gz QJYMXZWPMMRICP-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH+](C)CCOC)C1 ZINC000081255935 351704820 /nfs/dbraw/zinc/70/48/20/351704820.db2.gz QJYMXZWPMMRICP-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCCC[N@H+](C)CCOC)C1 ZINC000081255935 351704822 /nfs/dbraw/zinc/70/48/22/351704822.db2.gz QJYMXZWPMMRICP-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCCC[N@@H+](C)CCOC)C1 ZINC000081255935 351704824 /nfs/dbraw/zinc/70/48/24/351704824.db2.gz QJYMXZWPMMRICP-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088372401 351724968 /nfs/dbraw/zinc/72/49/68/351724968.db2.gz CWCHAPZPQRTGBM-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](C)CC2)CC1=O ZINC000096683556 351775680 /nfs/dbraw/zinc/77/56/80/351775680.db2.gz TXHRYMPUUWKHJS-GFCCVEGCSA-N 2 1 282.388 -0.830 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000102788565 351785314 /nfs/dbraw/zinc/78/53/14/351785314.db2.gz SBFKYRZJHAISRZ-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000102788565 351785315 /nfs/dbraw/zinc/78/53/15/351785315.db2.gz SBFKYRZJHAISRZ-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000102788565 351785317 /nfs/dbraw/zinc/78/53/17/351785317.db2.gz SBFKYRZJHAISRZ-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103150585 351785789 /nfs/dbraw/zinc/78/57/89/351785789.db2.gz TVDQWINVGAQSMA-UHFFFAOYSA-N 2 1 282.388 -0.638 20 0 CBADMP CC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000104131897 351789566 /nfs/dbraw/zinc/78/95/66/351789566.db2.gz BHGMBIBLEVGMEY-LLVKDONJSA-N 2 1 268.361 -0.981 20 0 CBADMP CC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000104131897 351789568 /nfs/dbraw/zinc/78/95/68/351789568.db2.gz BHGMBIBLEVGMEY-LLVKDONJSA-N 2 1 268.361 -0.981 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)COC1CC[NH2+]CC1 ZINC000104382617 351790941 /nfs/dbraw/zinc/79/09/41/351790941.db2.gz LWLRSGFPVCRCHM-UHFFFAOYSA-N 2 1 273.377 -0.551 20 0 CBADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000092951135 351754819 /nfs/dbraw/zinc/75/48/19/351754819.db2.gz SNYBGLUEILWXJS-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP Cn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC000093089215 351755496 /nfs/dbraw/zinc/75/54/96/351755496.db2.gz SIOQBMMKRUEDMJ-UHFFFAOYSA-N 2 1 294.399 -0.142 20 0 CBADMP C[NH+]1CCN(C(=O)CN2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000093171170 351758389 /nfs/dbraw/zinc/75/83/89/351758389.db2.gz KJAFTKADMRFTIG-AWEZNQCLSA-N 2 1 280.416 -0.070 20 0 CBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000111547784 351802756 /nfs/dbraw/zinc/80/27/56/351802756.db2.gz WDTNFMCCKCLCSR-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000111547784 351802760 /nfs/dbraw/zinc/80/27/60/351802760.db2.gz WDTNFMCCKCLCSR-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[NH+](C3CC3)CC2)O1 ZINC000094569169 351764645 /nfs/dbraw/zinc/76/46/45/351764645.db2.gz PAQKFXCDQJGCDI-NEPJUHHUSA-N 2 1 253.346 -0.201 20 0 CBADMP C[N@@H+]1CCC[C@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000111581764 351803700 /nfs/dbraw/zinc/80/37/00/351803700.db2.gz PBMJSJVHSGPOIV-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000111581764 351803703 /nfs/dbraw/zinc/80/37/03/351803703.db2.gz PBMJSJVHSGPOIV-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114478254 351816872 /nfs/dbraw/zinc/81/68/72/351816872.db2.gz AYQFGIGHVYXNGD-LBPRGKRZSA-N 2 1 285.388 -0.109 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000126302229 351859005 /nfs/dbraw/zinc/85/90/05/351859005.db2.gz RCHBVXQYBHNAIX-DGCLKSJQSA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129156749 351868421 /nfs/dbraw/zinc/86/84/21/351868421.db2.gz NQXSVKFKPMTYTN-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000129206776 351868498 /nfs/dbraw/zinc/86/84/98/351868498.db2.gz STDHAEKCAIFRNU-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000136200713 351919746 /nfs/dbraw/zinc/91/97/46/351919746.db2.gz QWBMNEHXRVNEOB-HNNXBMFYSA-N 2 1 296.415 -0.155 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131540936 351886616 /nfs/dbraw/zinc/88/66/16/351886616.db2.gz APPVBTIZIOCFRW-GUBZILKMSA-N 2 1 256.350 -0.110 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131540936 351886621 /nfs/dbraw/zinc/88/66/21/351886621.db2.gz APPVBTIZIOCFRW-GUBZILKMSA-N 2 1 256.350 -0.110 20 0 CBADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131805361 351888707 /nfs/dbraw/zinc/88/87/07/351888707.db2.gz XSPOSFUYJFJYFN-VHSXEESVSA-N 2 1 256.350 -0.109 20 0 CBADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131805361 351888708 /nfs/dbraw/zinc/88/87/08/351888708.db2.gz XSPOSFUYJFJYFN-VHSXEESVSA-N 2 1 256.350 -0.109 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000132906902 351896286 /nfs/dbraw/zinc/89/62/86/351896286.db2.gz YETBHOUKOSETNZ-TUAOUCFPSA-N 2 1 253.346 -0.282 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000132906512 351896398 /nfs/dbraw/zinc/89/63/98/351896398.db2.gz YETBHOUKOSETNZ-UTUOFQBUSA-N 2 1 253.346 -0.282 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+](C)C ZINC000133652242 351900587 /nfs/dbraw/zinc/90/05/87/351900587.db2.gz WEZFSQUQLSMZCA-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP C[NH+](C)CCNC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000133718136 351901281 /nfs/dbraw/zinc/90/12/81/351901281.db2.gz PKGYSHNPDQACTB-UHFFFAOYSA-N 2 1 285.436 -0.125 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]C)C2)C1 ZINC000133831003 351902391 /nfs/dbraw/zinc/90/23/91/351902391.db2.gz NHJSGPICILNFLF-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]C)C2)C1 ZINC000133831003 351902394 /nfs/dbraw/zinc/90/23/94/351902394.db2.gz NHJSGPICILNFLF-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C)CC1 ZINC000171190645 352009114 /nfs/dbraw/zinc/00/91/14/352009114.db2.gz RGCYXLFXWKSEDQ-UHFFFAOYSA-N 2 1 272.393 -0.042 20 0 CBADMP O[C@@H]1CCCN(CC2(C[N@H+]3CCC[C@H](O)C3)COC2)C1 ZINC000157341402 351954773 /nfs/dbraw/zinc/95/47/73/351954773.db2.gz CHCCGFJBGNHXKM-OKILXGFUSA-N 2 1 284.400 -0.084 20 0 CBADMP O[C@@H]1CCC[N@@H+](CC2(CN3CCC[C@H](O)C3)COC2)C1 ZINC000157341402 351954775 /nfs/dbraw/zinc/95/47/75/351954775.db2.gz CHCCGFJBGNHXKM-OKILXGFUSA-N 2 1 284.400 -0.084 20 0 CBADMP O[C@@H]1CCC[N@H+](CC2(CN3CCC[C@H](O)C3)COC2)C1 ZINC000157341402 351954777 /nfs/dbraw/zinc/95/47/77/351954777.db2.gz CHCCGFJBGNHXKM-OKILXGFUSA-N 2 1 284.400 -0.084 20 0 CBADMP O=C(CN1CC[NH2+]CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000157780561 351957929 /nfs/dbraw/zinc/95/79/29/351957929.db2.gz XLLBQCFHNUCMPU-OLZOCXBDSA-N 2 1 266.389 -0.365 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000159048934 351961439 /nfs/dbraw/zinc/96/14/39/351961439.db2.gz WWXWTLJPWWNZPM-OCCSQVGLSA-N 2 1 267.373 -0.081 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000159048934 351961441 /nfs/dbraw/zinc/96/14/41/351961441.db2.gz WWXWTLJPWWNZPM-OCCSQVGLSA-N 2 1 267.373 -0.081 20 0 CBADMP O=C(NCC[NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000160732745 351971254 /nfs/dbraw/zinc/97/12/54/351971254.db2.gz CYVHHKNBYGNYAW-LBPRGKRZSA-N 2 1 255.362 -0.441 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)CNC(=O)C[NH3+])CC[C@@H]21 ZINC000167512120 351989471 /nfs/dbraw/zinc/98/94/71/351989471.db2.gz VKFILYGJCIHBHI-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP COCC[NH2+]CC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000167264955 351989668 /nfs/dbraw/zinc/98/96/68/351989668.db2.gz ZCCJVVVUUPICBV-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP CC[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1CCOC ZINC000168069129 351992136 /nfs/dbraw/zinc/99/21/36/351992136.db2.gz CTAJANWOJYTRGA-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CC[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[N@H+]1CCOC ZINC000168069129 351992138 /nfs/dbraw/zinc/99/21/38/351992138.db2.gz CTAJANWOJYTRGA-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCCS(N)(=O)=O)C1 ZINC000173886408 352041836 /nfs/dbraw/zinc/04/18/36/352041836.db2.gz UHEKHSHRZXSSTP-NSHDSACASA-N 2 1 263.407 -0.061 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCS(N)(=O)=O)C1 ZINC000173886408 352041837 /nfs/dbraw/zinc/04/18/37/352041837.db2.gz UHEKHSHRZXSSTP-NSHDSACASA-N 2 1 263.407 -0.061 20 0 CBADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCS(N)(=O)=O)C1 ZINC000173886408 352041838 /nfs/dbraw/zinc/04/18/38/352041838.db2.gz UHEKHSHRZXSSTP-NSHDSACASA-N 2 1 263.407 -0.061 20 0 CBADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000173886408 352041839 /nfs/dbraw/zinc/04/18/39/352041839.db2.gz UHEKHSHRZXSSTP-NSHDSACASA-N 2 1 263.407 -0.061 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000174641619 352049802 /nfs/dbraw/zinc/04/98/02/352049802.db2.gz PCGIDBUNZOKPQB-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000174641619 352049804 /nfs/dbraw/zinc/04/98/04/352049804.db2.gz PCGIDBUNZOKPQB-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000172753197 352029801 /nfs/dbraw/zinc/02/98/01/352029801.db2.gz HTNXTOMCUIUVHQ-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000172753197 352029803 /nfs/dbraw/zinc/02/98/03/352029803.db2.gz HTNXTOMCUIUVHQ-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000186324620 352126791 /nfs/dbraw/zinc/12/67/91/352126791.db2.gz KWQSRDWRQKRNKZ-GFCCVEGCSA-N 2 1 253.346 -0.257 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000186324620 352126793 /nfs/dbraw/zinc/12/67/93/352126793.db2.gz KWQSRDWRQKRNKZ-GFCCVEGCSA-N 2 1 253.346 -0.257 20 0 CBADMP CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186682511 352130362 /nfs/dbraw/zinc/13/03/62/352130362.db2.gz XMLSDQAAKLYNEH-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186637220 352130379 /nfs/dbraw/zinc/13/03/79/352130379.db2.gz HZABPPLJOHZABW-STQMWFEESA-N 2 1 296.415 -0.217 20 0 CBADMP CN(CC[N@H+](C)C1CC1)CC(=O)N1CC[NH+](C)CC1 ZINC000186764431 352130909 /nfs/dbraw/zinc/13/09/09/352130909.db2.gz IJHHDSLBIXCLRI-UHFFFAOYSA-N 2 1 268.405 -0.214 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)CC(=O)N1CC[NH+](C)CC1 ZINC000186764431 352130912 /nfs/dbraw/zinc/13/09/12/352130912.db2.gz IJHHDSLBIXCLRI-UHFFFAOYSA-N 2 1 268.405 -0.214 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000178699396 352080676 /nfs/dbraw/zinc/08/06/76/352080676.db2.gz ZIAYIHAKXXSQBN-GFCCVEGCSA-N 2 1 282.388 -0.734 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000178655905 352081171 /nfs/dbraw/zinc/08/11/71/352081171.db2.gz OCDANLNOAUHAAR-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000178815337 352083495 /nfs/dbraw/zinc/08/34/95/352083495.db2.gz LHZALZKEIHCTDT-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000178815337 352083496 /nfs/dbraw/zinc/08/34/96/352083496.db2.gz LHZALZKEIHCTDT-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H]1CN(C(=O)CCC[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000178862155 352085106 /nfs/dbraw/zinc/08/51/06/352085106.db2.gz LJQYPQYYNNTBQQ-NWDGAFQWSA-N 2 1 255.362 -0.096 20 0 CBADMP CS(=O)(=O)N[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178974188 352086821 /nfs/dbraw/zinc/08/68/21/352086821.db2.gz JVMDNDDAGJQVBR-LLVKDONJSA-N 2 1 261.391 -0.391 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180199912 352093966 /nfs/dbraw/zinc/09/39/66/352093966.db2.gz HCLJBVSWIHWVTD-AWEZNQCLSA-N 2 1 273.421 -0.049 20 0 CBADMP Cn1cc([C@H]2C[NH2+]CCN2C(=O)C[NH2+]CC2CC2)cn1 ZINC000181362867 352099068 /nfs/dbraw/zinc/09/90/68/352099068.db2.gz ULRYNAYVSNGZKZ-CYBMUJFWSA-N 2 1 277.372 -0.107 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188726682 352157147 /nfs/dbraw/zinc/15/71/47/352157147.db2.gz CMGWDQQLDYBBHZ-SECBINFHSA-N 2 1 263.345 -0.263 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)C1 ZINC000187930775 352144104 /nfs/dbraw/zinc/14/41/04/352144104.db2.gz LJGXLBSNMDPSIP-SDDRHHMPSA-N 2 1 255.362 -0.036 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188092151 352147041 /nfs/dbraw/zinc/14/70/41/352147041.db2.gz STIBYKFUQYAUFD-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188106456 352147279 /nfs/dbraw/zinc/14/72/79/352147279.db2.gz RGXCTQZRDKZUAZ-CMPLNLGQSA-N 2 1 266.345 -0.068 20 0 CBADMP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1CC ZINC000188188678 352148705 /nfs/dbraw/zinc/14/87/05/352148705.db2.gz WKXNDAGQKPXGOR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1CC ZINC000188188678 352148707 /nfs/dbraw/zinc/14/87/07/352148707.db2.gz WKXNDAGQKPXGOR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]([NH3+])CCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000193324446 352204384 /nfs/dbraw/zinc/20/43/84/352204384.db2.gz BBAQSFQPTMYUJO-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2(C)CC[NH2+]CC2)C1 ZINC000193395322 352205462 /nfs/dbraw/zinc/20/54/62/352205462.db2.gz IYKVJYLASJFLSW-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC2(C)CC[NH2+]CC2)C1 ZINC000193395322 352205468 /nfs/dbraw/zinc/20/54/68/352205468.db2.gz IYKVJYLASJFLSW-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000227343872 352256677 /nfs/dbraw/zinc/25/66/77/352256677.db2.gz RQWIZHPXMBVTAE-QWHCGFSZSA-N 2 1 294.399 -0.639 20 0 CBADMP NC(=O)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000224967183 352246109 /nfs/dbraw/zinc/24/61/09/352246109.db2.gz YITWCIJNTTYLMD-OLZOCXBDSA-N 2 1 290.367 -0.420 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000224967183 352246116 /nfs/dbraw/zinc/24/61/16/352246116.db2.gz YITWCIJNTTYLMD-OLZOCXBDSA-N 2 1 290.367 -0.420 20 0 CBADMP CC[NH+]1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000242754621 352315983 /nfs/dbraw/zinc/31/59/83/352315983.db2.gz DIUPCZYIRSLUPX-UHFFFAOYSA-N 2 1 269.393 -0.761 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000232114758 352278976 /nfs/dbraw/zinc/27/89/76/352278976.db2.gz LPMWBSBNJMJRHV-PWSUYJOCSA-N 2 1 255.362 -0.049 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)C[C@H](C[NH3+])OC)CC1 ZINC000232117033 352279478 /nfs/dbraw/zinc/27/94/78/352279478.db2.gz KPWKGRQBDVJONE-GFCCVEGCSA-N 2 1 273.377 -0.469 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000236873340 352294758 /nfs/dbraw/zinc/29/47/58/352294758.db2.gz VDUWZAITXTUFIP-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000236899548 352296419 /nfs/dbraw/zinc/29/64/19/352296419.db2.gz DHFLVCLKCPIEIS-LBPRGKRZSA-N 2 1 255.362 -0.096 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000236899548 352296421 /nfs/dbraw/zinc/29/64/21/352296421.db2.gz DHFLVCLKCPIEIS-LBPRGKRZSA-N 2 1 255.362 -0.096 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[NH2+]C1CC1 ZINC000237017785 352297789 /nfs/dbraw/zinc/29/77/89/352297789.db2.gz GLBJSIGZHIMQGZ-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CNC(=O)C[NH2+]C1CC1)CN1CC[NH+](C)CC1 ZINC000237405328 352304120 /nfs/dbraw/zinc/30/41/20/352304120.db2.gz SJLQPBFPJTYSKD-GFCCVEGCSA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000237463880 352306444 /nfs/dbraw/zinc/30/64/44/352306444.db2.gz OSUSZTKHKGJZNH-CHWSQXEVSA-N 2 1 268.405 -0.262 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000237575208 352306856 /nfs/dbraw/zinc/30/68/56/352306856.db2.gz RGXCTQZRDKZUAZ-JQWIXIFHSA-N 2 1 266.345 -0.068 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000237598289 352308624 /nfs/dbraw/zinc/30/86/24/352308624.db2.gz PUFLNCRNTCXOCU-RYUDHWBXSA-N 2 1 255.362 -0.320 20 0 CBADMP CN1CCO[C@@H](C(=O)NCCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000245685085 352324232 /nfs/dbraw/zinc/32/42/32/352324232.db2.gz KQYPBXVIXDVCBX-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCCC[NH+]2CCC[C@H]2CO)C1 ZINC000245685085 352324235 /nfs/dbraw/zinc/32/42/35/352324235.db2.gz KQYPBXVIXDVCBX-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCCC[NH+]2CCC[C@H]2CO)C1 ZINC000245685085 352324237 /nfs/dbraw/zinc/32/42/37/352324237.db2.gz KQYPBXVIXDVCBX-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000245685085 352324240 /nfs/dbraw/zinc/32/42/40/352324240.db2.gz KQYPBXVIXDVCBX-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000245685085 352324244 /nfs/dbraw/zinc/32/42/44/352324244.db2.gz KQYPBXVIXDVCBX-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@]1(O)CC[NH+](CCOCC[N@@H+]2CC[C@](C)(O)C2)C1 ZINC000246955274 352341607 /nfs/dbraw/zinc/34/16/07/352341607.db2.gz IGJZRMHGFXKEHZ-KBPBESRZSA-N 2 1 272.389 -0.084 20 0 CBADMP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000249136491 352360618 /nfs/dbraw/zinc/36/06/18/352360618.db2.gz OCODMUHDANEYRI-XQQFMLRXSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000249960383 352371225 /nfs/dbraw/zinc/37/12/25/352371225.db2.gz JNXYHLRRKWLJGX-WOPDTQHZSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000249960383 352371226 /nfs/dbraw/zinc/37/12/26/352371226.db2.gz JNXYHLRRKWLJGX-WOPDTQHZSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000250362289 352371872 /nfs/dbraw/zinc/37/18/72/352371872.db2.gz UFGKYXCJHXBKBX-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250397624 352371918 /nfs/dbraw/zinc/37/19/18/352371918.db2.gz RNJUPAQNRBZZNL-NWDGAFQWSA-N 2 1 282.388 -0.687 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250615007 352373085 /nfs/dbraw/zinc/37/30/85/352373085.db2.gz NQXSVKFKPMTYTN-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000252408122 352376330 /nfs/dbraw/zinc/37/63/30/352376330.db2.gz IKENJHYZPILXDX-DDHJBXDOSA-N 2 1 253.346 -0.548 20 0 CBADMP Cn1c2cc(C[N@H+](C)C[C@@H](O)C[NH3+])ccc2oc1=O ZINC000258947870 352386505 /nfs/dbraw/zinc/38/65/05/352386505.db2.gz KJBXBNDGBLOCMK-JTQLQIEISA-N 2 1 265.313 -0.117 20 0 CBADMP Cn1c2cc(C[N@@H+](C)C[C@@H](O)C[NH3+])ccc2oc1=O ZINC000258947870 352386510 /nfs/dbraw/zinc/38/65/10/352386510.db2.gz KJBXBNDGBLOCMK-JTQLQIEISA-N 2 1 265.313 -0.117 20 0 CBADMP Cn1c2cc(C[N@H+](C)C[C@H](O)C[NH3+])ccc2oc1=O ZINC000258947872 352386728 /nfs/dbraw/zinc/38/67/28/352386728.db2.gz KJBXBNDGBLOCMK-SNVBAGLBSA-N 2 1 265.313 -0.117 20 0 CBADMP Cn1c2cc(C[N@@H+](C)C[C@H](O)C[NH3+])ccc2oc1=O ZINC000258947872 352386730 /nfs/dbraw/zinc/38/67/30/352386730.db2.gz KJBXBNDGBLOCMK-SNVBAGLBSA-N 2 1 265.313 -0.117 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CN1CC[NH2+]CC1 ZINC000258677044 352387027 /nfs/dbraw/zinc/38/70/27/352387027.db2.gz KGVBEMBSRPMGNB-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP O=C1CCC(=O)N1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261561882 352387810 /nfs/dbraw/zinc/38/78/10/352387810.db2.gz GEBYUUNNZBZOSY-QWRGUYRKSA-N 2 1 251.330 -0.323 20 0 CBADMP O=C1CCC(=O)N1CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261561882 352387813 /nfs/dbraw/zinc/38/78/13/352387813.db2.gz GEBYUUNNZBZOSY-QWRGUYRKSA-N 2 1 251.330 -0.323 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000261935697 352400935 /nfs/dbraw/zinc/40/09/35/352400935.db2.gz LZMLFPXNOIAKIW-SNVBAGLBSA-N 2 1 252.318 -0.039 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000261935697 352400938 /nfs/dbraw/zinc/40/09/38/352400938.db2.gz LZMLFPXNOIAKIW-SNVBAGLBSA-N 2 1 252.318 -0.039 20 0 CBADMP CCN(CC)C(=O)C[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000261822292 352397381 /nfs/dbraw/zinc/39/73/81/352397381.db2.gz UQBXWGBDJHWXMN-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CCN(CC)C(=O)C[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000261822292 352397385 /nfs/dbraw/zinc/39/73/85/352397385.db2.gz UQBXWGBDJHWXMN-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262257559 352412521 /nfs/dbraw/zinc/41/25/21/352412521.db2.gz QLAGBXYFEUGQPR-CQSZACIVSA-N 2 1 280.416 -0.166 20 0 CBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CC[NH2+]C)CC1 ZINC000262308737 352415313 /nfs/dbraw/zinc/41/53/13/352415313.db2.gz BOVHRPGZDBUWAP-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CC[NH2+]C)CC1 ZINC000262308737 352415316 /nfs/dbraw/zinc/41/53/16/352415316.db2.gz BOVHRPGZDBUWAP-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@@H]1C ZINC000262338449 352417490 /nfs/dbraw/zinc/41/74/90/352417490.db2.gz HPXVUYOPFMJLFH-RWMBFGLXSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262367256 352419351 /nfs/dbraw/zinc/41/93/51/352419351.db2.gz JNGOSWBUICJCFQ-VOAKCMCISA-N 2 1 269.389 -0.054 20 0 CBADMP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@H]1COCC[NH2+]1 ZINC000262409640 352420359 /nfs/dbraw/zinc/42/03/59/352420359.db2.gz QMKYZRSPJKCYCK-UONOGXRCSA-N 2 1 275.352 -0.022 20 0 CBADMP C[NH2+]CCC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000262415201 352421267 /nfs/dbraw/zinc/42/12/67/352421267.db2.gz QYSGVYAFTHVGOI-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000262418904 352421539 /nfs/dbraw/zinc/42/15/39/352421539.db2.gz QFTFEDSODFZKAO-LPWJVIDDSA-N 2 1 285.388 -0.987 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000262418904 352421543 /nfs/dbraw/zinc/42/15/43/352421543.db2.gz QFTFEDSODFZKAO-LPWJVIDDSA-N 2 1 285.388 -0.987 20 0 CBADMP O=C(C[C@H]1CCC[NH2+]CC1)N1CC[NH+](CCO)CC1 ZINC000262472448 352423714 /nfs/dbraw/zinc/42/37/14/352423714.db2.gz YMHFWUXJKGPFDS-ZDUSSCGKSA-N 2 1 269.389 -0.097 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH3+])CC1=O ZINC000262513897 352424207 /nfs/dbraw/zinc/42/42/07/352424207.db2.gz PYUHRPCJSCFOCJ-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000262513932 352424215 /nfs/dbraw/zinc/42/42/15/352424215.db2.gz MPFABAJCRQHCAK-FDYHWXHSSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000262513939 352424662 /nfs/dbraw/zinc/42/46/62/352424662.db2.gz MPFABAJCRQHCAK-FVCCEPFGSA-N 2 1 269.389 -0.054 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC(C)(C)C[NH3+])CC1 ZINC000262538218 352425659 /nfs/dbraw/zinc/42/56/59/352425659.db2.gz CWDJOLQFVOUOAL-UHFFFAOYSA-N 2 1 256.394 -0.133 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000262570413 352426525 /nfs/dbraw/zinc/42/65/25/352426525.db2.gz GWOQBZVMSKCMHG-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000262570413 352426529 /nfs/dbraw/zinc/42/65/29/352426529.db2.gz GWOQBZVMSKCMHG-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000262765207 352433399 /nfs/dbraw/zinc/43/33/99/352433399.db2.gz KXVDVPWRMYFBNF-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000262765207 352433401 /nfs/dbraw/zinc/43/34/01/352433401.db2.gz KXVDVPWRMYFBNF-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000262794904 352434328 /nfs/dbraw/zinc/43/43/28/352434328.db2.gz PCKNXAPQGJQGNR-LLVKDONJSA-N 2 1 273.377 -0.423 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000262794904 352434330 /nfs/dbraw/zinc/43/43/30/352434330.db2.gz PCKNXAPQGJQGNR-LLVKDONJSA-N 2 1 273.377 -0.423 20 0 CBADMP O=C(CC[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21)N1CC[NH2+]CC1 ZINC000261992086 352403572 /nfs/dbraw/zinc/40/35/72/352403572.db2.gz CWGMPCHOQKQIQA-QWHCGFSZSA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(CC[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21)N1CC[NH2+]CC1 ZINC000261992086 352403574 /nfs/dbraw/zinc/40/35/74/352403574.db2.gz CWGMPCHOQKQIQA-QWHCGFSZSA-N 2 1 294.399 -0.449 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H]1C ZINC000262059623 352405544 /nfs/dbraw/zinc/40/55/44/352405544.db2.gz RNYWHNXFGTXVJK-UPJWGTAASA-N 2 1 285.388 -0.328 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H]1C ZINC000262059623 352405545 /nfs/dbraw/zinc/40/55/45/352405545.db2.gz RNYWHNXFGTXVJK-UPJWGTAASA-N 2 1 285.388 -0.328 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000269238241 352464018 /nfs/dbraw/zinc/46/40/18/352464018.db2.gz OQUKJGLDWOUVPE-NSHDSACASA-N 2 1 252.318 -0.314 20 0 CBADMP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)[NH+](C)C)cc1 ZINC000269743509 352480290 /nfs/dbraw/zinc/48/02/90/352480290.db2.gz WRSIHOXIESINSP-STQMWFEESA-N 2 1 292.383 -0.083 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000286630853 352647653 /nfs/dbraw/zinc/64/76/53/352647653.db2.gz ZQVGDWHMOJTNBZ-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443086 352675969 /nfs/dbraw/zinc/67/59/69/352675969.db2.gz LWPUVFXJPYMWRB-AAEUAGOBSA-N 2 1 294.399 -0.144 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443086 352675978 /nfs/dbraw/zinc/67/59/78/352675978.db2.gz LWPUVFXJPYMWRB-AAEUAGOBSA-N 2 1 294.399 -0.144 20 0 CBADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443086 352675981 /nfs/dbraw/zinc/67/59/81/352675981.db2.gz LWPUVFXJPYMWRB-AAEUAGOBSA-N 2 1 294.399 -0.144 20 0 CBADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443086 352675986 /nfs/dbraw/zinc/67/59/86/352675986.db2.gz LWPUVFXJPYMWRB-AAEUAGOBSA-N 2 1 294.399 -0.144 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)NCCN1CCOCC1 ZINC000299500900 352724075 /nfs/dbraw/zinc/72/40/75/352724075.db2.gz UMZJFEFPUCTZPM-UHFFFAOYSA-N 2 1 281.360 -0.177 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc([C@@H]([NH3+])C(C)C)nn1 ZINC000312676944 352776078 /nfs/dbraw/zinc/77/60/78/352776078.db2.gz CJAMOGOUJJZOJR-YPMHNXCESA-N 2 1 285.392 -0.127 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000310875487 352763048 /nfs/dbraw/zinc/76/30/48/352763048.db2.gz MRQJOSVDOBMDFE-CHWSQXEVSA-N 2 1 260.378 -0.228 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@](C)(O)C1 ZINC000310875487 352763054 /nfs/dbraw/zinc/76/30/54/352763054.db2.gz MRQJOSVDOBMDFE-CHWSQXEVSA-N 2 1 260.378 -0.228 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@](C)(O)C1 ZINC000310875487 352763056 /nfs/dbraw/zinc/76/30/56/352763056.db2.gz MRQJOSVDOBMDFE-CHWSQXEVSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000311092252 352765758 /nfs/dbraw/zinc/76/57/58/352765758.db2.gz ZBMYWWOQDARPIF-TUAOUCFPSA-N 2 1 257.378 -0.115 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000311092252 352765759 /nfs/dbraw/zinc/76/57/59/352765759.db2.gz ZBMYWWOQDARPIF-TUAOUCFPSA-N 2 1 257.378 -0.115 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000311092252 352765760 /nfs/dbraw/zinc/76/57/60/352765760.db2.gz ZBMYWWOQDARPIF-TUAOUCFPSA-N 2 1 257.378 -0.115 20 0 CBADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000311671003 352769515 /nfs/dbraw/zinc/76/95/15/352769515.db2.gz ARJUXYOHHXGTAT-GFCCVEGCSA-N 2 1 293.433 -0.435 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1COCC1(C)C ZINC000313025518 352777412 /nfs/dbraw/zinc/77/74/12/352777412.db2.gz HKTDBAOOJWTKBH-RYUDHWBXSA-N 2 1 260.378 -0.060 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1COCC1(C)C ZINC000313025518 352777416 /nfs/dbraw/zinc/77/74/16/352777416.db2.gz HKTDBAOOJWTKBH-RYUDHWBXSA-N 2 1 260.378 -0.060 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000330428061 352822967 /nfs/dbraw/zinc/82/29/67/352822967.db2.gz JNEINMRSPDYJME-LBPRGKRZSA-N 2 1 283.372 -0.355 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000330428061 352822971 /nfs/dbraw/zinc/82/29/71/352822971.db2.gz JNEINMRSPDYJME-LBPRGKRZSA-N 2 1 283.372 -0.355 20 0 CBADMP CNC(=O)[C@H](C)C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000330449104 352826650 /nfs/dbraw/zinc/82/66/50/352826650.db2.gz XARCXEDGCVPNJN-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP CNC(=O)[C@H](C)C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000330449104 352826651 /nfs/dbraw/zinc/82/66/51/352826651.db2.gz XARCXEDGCVPNJN-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000330495496 352834290 /nfs/dbraw/zinc/83/42/90/352834290.db2.gz VEHMDLBHERWTBU-CYBMUJFWSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000330495496 352834293 /nfs/dbraw/zinc/83/42/93/352834293.db2.gz VEHMDLBHERWTBU-CYBMUJFWSA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332038182 352930221 /nfs/dbraw/zinc/93/02/21/352930221.db2.gz LACNOTOGEROKMO-AVGNSLFASA-N 2 1 294.399 -0.450 20 0 CBADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000332065156 352933400 /nfs/dbraw/zinc/93/34/00/352933400.db2.gz RHXGJTLHZQTEBS-FRRDWIJNSA-N 2 1 294.399 -0.321 20 0 CBADMP CO[C@H]1C[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)[N@H+](C)C1 ZINC000331308025 352903921 /nfs/dbraw/zinc/90/39/21/352903921.db2.gz BFBLTMMDUKCKFZ-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@H]1C[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000331308025 352903928 /nfs/dbraw/zinc/90/39/28/352903928.db2.gz BFBLTMMDUKCKFZ-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332729030 352980729 /nfs/dbraw/zinc/98/07/29/352980729.db2.gz QQWNAQODWJXDPP-NSHDSACASA-N 2 1 268.361 -0.981 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332729030 352980735 /nfs/dbraw/zinc/98/07/35/352980735.db2.gz QQWNAQODWJXDPP-NSHDSACASA-N 2 1 268.361 -0.981 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000332202555 352939258 /nfs/dbraw/zinc/93/92/58/352939258.db2.gz XTOOFBFXEYLCCF-CHWSQXEVSA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000332202555 352939262 /nfs/dbraw/zinc/93/92/62/352939262.db2.gz XTOOFBFXEYLCCF-CHWSQXEVSA-N 2 1 294.399 -0.497 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1[NH3+] ZINC000332218788 352940602 /nfs/dbraw/zinc/94/06/02/352940602.db2.gz IOHPBSNGTREBFQ-WOPDTQHZSA-N 2 1 280.372 -0.901 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@H](C)[N@H+]1C ZINC000332284676 352942216 /nfs/dbraw/zinc/94/22/16/352942216.db2.gz GMASIFBQABLKJH-TXEJJXNPSA-N 2 1 282.388 -0.641 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@H](C)[N@@H+]1C ZINC000332284676 352942219 /nfs/dbraw/zinc/94/22/19/352942219.db2.gz GMASIFBQABLKJH-TXEJJXNPSA-N 2 1 282.388 -0.641 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1CCC[NH+]1C ZINC000333706567 353007951 /nfs/dbraw/zinc/00/79/51/353007951.db2.gz FTMJFRKFZVLINW-CHWSQXEVSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1CCC[NH+]1C ZINC000333706567 353007954 /nfs/dbraw/zinc/00/79/54/353007954.db2.gz FTMJFRKFZVLINW-CHWSQXEVSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000333706567 353007957 /nfs/dbraw/zinc/00/79/57/353007957.db2.gz FTMJFRKFZVLINW-CHWSQXEVSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000333706567 353007959 /nfs/dbraw/zinc/00/79/59/353007959.db2.gz FTMJFRKFZVLINW-CHWSQXEVSA-N 2 1 284.404 -0.211 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333680655 353008221 /nfs/dbraw/zinc/00/82/21/353008221.db2.gz ORXLLEJUEYBNDN-GFCCVEGCSA-N 2 1 270.377 -0.288 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000333764669 353009792 /nfs/dbraw/zinc/00/97/92/353009792.db2.gz BBMWBYGZYSUPCO-FRRDWIJNSA-N 2 1 284.404 -0.308 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000333764669 353009795 /nfs/dbraw/zinc/00/97/95/353009795.db2.gz BBMWBYGZYSUPCO-FRRDWIJNSA-N 2 1 284.404 -0.308 20 0 CBADMP O=C(NCCN1CC[NH2+]CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000333782545 353010855 /nfs/dbraw/zinc/01/08/55/353010855.db2.gz DXUWFWVIOGTFGS-AWEZNQCLSA-N 2 1 295.431 -0.229 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333839122 353011533 /nfs/dbraw/zinc/01/15/33/353011533.db2.gz NXENZDATJAVUTJ-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000333913157 353013752 /nfs/dbraw/zinc/01/37/52/353013752.db2.gz FQPITZGTXBPKOS-YNEHKIRRSA-N 2 1 282.388 -0.099 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000333946449 353014097 /nfs/dbraw/zinc/01/40/97/353014097.db2.gz UQSNWYGBLUXSFR-LBPRGKRZSA-N 2 1 297.403 -0.846 20 0 CBADMP [NH3+]CCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000515402400 303382256 /nfs/dbraw/zinc/38/22/56/303382256.db2.gz JSXZVSRSJZDDFM-RYUDHWBXSA-N 2 1 270.377 -0.112 20 0 CBADMP COCC[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336812898 353058519 /nfs/dbraw/zinc/05/85/19/353058519.db2.gz BFLRTYKGGRXEAG-AWEZNQCLSA-N 2 1 271.405 -0.295 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1CCC[NH2+]C1 ZINC000336817823 353058726 /nfs/dbraw/zinc/05/87/26/353058726.db2.gz RZOSUYZTYDKDAD-UONOGXRCSA-N 2 1 271.405 -0.389 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1CCC[NH2+]C1 ZINC000336817822 353059067 /nfs/dbraw/zinc/05/90/67/353059067.db2.gz RZOSUYZTYDKDAD-KGLIPLIRSA-N 2 1 271.405 -0.389 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@H]1CCC[NH2+]C1 ZINC000336817821 353059232 /nfs/dbraw/zinc/05/92/32/353059232.db2.gz RZOSUYZTYDKDAD-KBPBESRZSA-N 2 1 271.405 -0.389 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CCOCC1)CC1CC[NH2+]CC1 ZINC000336819109 353060358 /nfs/dbraw/zinc/06/03/58/353060358.db2.gz YGVYXMWBXADJRX-CQSZACIVSA-N 2 1 271.405 -0.389 20 0 CBADMP COC1(C(=O)NCCC[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000336837279 353062242 /nfs/dbraw/zinc/06/22/42/353062242.db2.gz LXESLHLESXWUSQ-UHFFFAOYSA-N 2 1 285.388 -0.407 20 0 CBADMP CC[C@@H](CO)[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336841976 353062797 /nfs/dbraw/zinc/06/27/97/353062797.db2.gz SYIPRLGMPPIRHZ-DZGCQCFKSA-N 2 1 285.432 -0.170 20 0 CBADMP COC[C@@H](O)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000338477588 353105396 /nfs/dbraw/zinc/10/53/96/353105396.db2.gz MUOWUWBZFGVBOI-ZDUSSCGKSA-N 2 1 295.387 -0.675 20 0 CBADMP CC[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000338284229 353093539 /nfs/dbraw/zinc/09/35/39/353093539.db2.gz YBRLNIKXOSZZGR-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000338284229 353093541 /nfs/dbraw/zinc/09/35/41/353093541.db2.gz YBRLNIKXOSZZGR-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2CCO)CC1 ZINC000338312059 353095132 /nfs/dbraw/zinc/09/51/32/353095132.db2.gz AKDKZITXYGWZQQ-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2CCO)CC1 ZINC000338312059 353095133 /nfs/dbraw/zinc/09/51/33/353095133.db2.gz AKDKZITXYGWZQQ-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C(N)=O)C1 ZINC000338326494 353096397 /nfs/dbraw/zinc/09/63/97/353096397.db2.gz ZORBEQZWNYGHAZ-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C(N)=O)C1 ZINC000338326494 353096398 /nfs/dbraw/zinc/09/63/98/353096398.db2.gz ZORBEQZWNYGHAZ-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP COC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000338380466 353099607 /nfs/dbraw/zinc/09/96/07/353099607.db2.gz ZCQQTJACNKMBBU-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP O=C(NC1C[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000152364586 188012896 /nfs/dbraw/zinc/01/28/96/188012896.db2.gz SMUIBSZACZCGBV-CQSZACIVSA-N 2 1 275.352 -0.025 20 0 CBADMP O=C(NC1C[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000152364586 188012898 /nfs/dbraw/zinc/01/28/98/188012898.db2.gz SMUIBSZACZCGBV-CQSZACIVSA-N 2 1 275.352 -0.025 20 0 CBADMP C[C@@H]([NH3+])CC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000340183842 353154963 /nfs/dbraw/zinc/15/49/63/353154963.db2.gz HVNHOCMNVVUGSV-GFCCVEGCSA-N 2 1 256.394 -0.180 20 0 CBADMP C[C@@H]([NH3+])CC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000340176965 353155095 /nfs/dbraw/zinc/15/50/95/353155095.db2.gz KDKNDPAKMNIBRX-NXEZZACHSA-N 2 1 256.350 -0.820 20 0 CBADMP C[C@@H]([NH3+])CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000340185804 353155906 /nfs/dbraw/zinc/15/59/06/353155906.db2.gz PFWVVTDJLOILBX-MNOVXSKESA-N 2 1 270.377 -0.573 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340814167 353187686 /nfs/dbraw/zinc/18/76/86/353187686.db2.gz GMXYQYYCTYNQMI-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1C[C@H](O)C[NH+]1CCOCC[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000340922071 353193284 /nfs/dbraw/zinc/19/32/84/353193284.db2.gz XTDUTYLWJXQJEV-LVEBTZEWSA-N 2 1 272.389 -0.087 20 0 CBADMP C[C@@H]1C[C@H](O)C[N@H+]1CCOCC[NH+]1C[C@H](O)C[C@@H]1C ZINC000340922071 353193286 /nfs/dbraw/zinc/19/32/86/353193286.db2.gz XTDUTYLWJXQJEV-LVEBTZEWSA-N 2 1 272.389 -0.087 20 0 CBADMP C[C@@H]1C[C@H](O)C[N@@H+]1CCOCC[NH+]1C[C@H](O)C[C@@H]1C ZINC000340922071 353193290 /nfs/dbraw/zinc/19/32/90/353193290.db2.gz XTDUTYLWJXQJEV-LVEBTZEWSA-N 2 1 272.389 -0.087 20 0 CBADMP C[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)C[NH+](C)C ZINC000341267231 353207393 /nfs/dbraw/zinc/20/73/93/353207393.db2.gz SLVNHTSRBWGFNH-OLZOCXBDSA-N 2 1 270.421 -0.064 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000342766319 353231984 /nfs/dbraw/zinc/23/19/84/353231984.db2.gz UKUMGJHJLFGOJI-JTQLQIEISA-N 2 1 259.350 -0.277 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000342766802 353232145 /nfs/dbraw/zinc/23/21/45/353232145.db2.gz XNYJHPSEHWFYJK-NSHDSACASA-N 2 1 271.361 -0.181 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000342704036 353228030 /nfs/dbraw/zinc/22/80/30/353228030.db2.gz KWILEVLHKKTVSB-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000342688350 353228060 /nfs/dbraw/zinc/22/80/60/353228060.db2.gz CJHFHQMMORDDGY-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000342712390 353228886 /nfs/dbraw/zinc/22/88/86/353228886.db2.gz RMGZCUDXKZUYQT-GXSJLCMTSA-N 2 1 271.361 -0.134 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000342753072 353231215 /nfs/dbraw/zinc/23/12/15/353231215.db2.gz PBGMFXZGLAUFOG-VHSXEESVSA-N 2 1 257.334 -0.523 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343216972 353260114 /nfs/dbraw/zinc/26/01/14/353260114.db2.gz KPMNBUIQJURYCY-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343216972 353260117 /nfs/dbraw/zinc/26/01/17/353260117.db2.gz KPMNBUIQJURYCY-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343216972 353260118 /nfs/dbraw/zinc/26/01/18/353260118.db2.gz KPMNBUIQJURYCY-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@H]1OCC[NH2+][C@H]1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000343584723 353280160 /nfs/dbraw/zinc/28/01/60/353280160.db2.gz BRCOWXVJNTUTEV-DGCLKSJQSA-N 2 1 285.388 -0.280 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343603206 353280887 /nfs/dbraw/zinc/28/08/87/353280887.db2.gz RPDJCCDOHJZWDM-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@H]1C[N@@H+](CCOCCO)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343919654 353298670 /nfs/dbraw/zinc/29/86/70/353298670.db2.gz GYMFJOBZTQPKJL-LSDHHAIUSA-N 2 1 285.432 -0.047 20 0 CBADMP COC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000345184596 353314709 /nfs/dbraw/zinc/31/47/09/353314709.db2.gz HHEUWRBCXMANKR-LLVKDONJSA-N 2 1 285.388 -0.062 20 0 CBADMP COC(=O)c1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cn1C ZINC000348264083 353417111 /nfs/dbraw/zinc/41/71/11/353417111.db2.gz VWMDKBBFDLBYLL-CQSZACIVSA-N 2 1 281.356 -0.032 20 0 CBADMP COC(=O)c1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cn1C ZINC000348264083 353417114 /nfs/dbraw/zinc/41/71/14/353417114.db2.gz VWMDKBBFDLBYLL-CQSZACIVSA-N 2 1 281.356 -0.032 20 0 CBADMP CC(C)OCC[NH+]1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000348986602 353443027 /nfs/dbraw/zinc/44/30/27/353443027.db2.gz CHVRWHPMZCGHLK-UHFFFAOYSA-N 2 1 299.415 -0.066 20 0 CBADMP O=C(CCOC1C[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000348999486 353443743 /nfs/dbraw/zinc/44/37/43/353443743.db2.gz LXVUADWATNKDRB-UHFFFAOYSA-N 2 1 253.346 -0.329 20 0 CBADMP CC[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000349008836 353444625 /nfs/dbraw/zinc/44/46/25/353444625.db2.gz WTOQIFOCFNMWGY-STQMWFEESA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[C@@H](CNC(=O)CCOC1C[NH2+]C1)[NH+]1CCOCC1 ZINC000349023187 353445018 /nfs/dbraw/zinc/44/50/18/353445018.db2.gz BLWXZILPDNDSTP-CQSZACIVSA-N 2 1 299.415 -0.162 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)CCOC1C[NH2+]C1 ZINC000349028387 353445942 /nfs/dbraw/zinc/44/59/42/353445942.db2.gz OMFOVMYMPKGSSI-UHFFFAOYSA-N 2 1 252.318 -0.314 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000349530020 353454866 /nfs/dbraw/zinc/45/48/66/353454866.db2.gz ZYIJPIFPMKSLJZ-LBPRGKRZSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000349639114 353458101 /nfs/dbraw/zinc/45/81/01/353458101.db2.gz RCULNOIPPWFGIN-STQMWFEESA-N 2 1 285.436 -0.128 20 0 CBADMP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)CC2)C1 ZINC000349929247 353467722 /nfs/dbraw/zinc/46/77/22/353467722.db2.gz ATOZJHGFHSKYFJ-GFCCVEGCSA-N 2 1 270.377 -0.336 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)CC2)C1 ZINC000349929247 353467723 /nfs/dbraw/zinc/46/77/23/353467723.db2.gz ATOZJHGFHSKYFJ-GFCCVEGCSA-N 2 1 270.377 -0.336 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351560841 353475647 /nfs/dbraw/zinc/47/56/47/353475647.db2.gz XIHMATZYRWXMAC-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP C[N@@H+](CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000351556125 353475869 /nfs/dbraw/zinc/47/58/69/353475869.db2.gz NLHFCDPTHQZWSQ-NSHDSACASA-N 2 1 268.361 -0.935 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1(CO)CC1 ZINC000353024577 353518018 /nfs/dbraw/zinc/51/80/18/353518018.db2.gz PFOFNUYTGRGFKT-UHFFFAOYSA-N 2 1 255.362 -0.393 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1(CO)CC1 ZINC000353024577 353518019 /nfs/dbraw/zinc/51/80/19/353518019.db2.gz PFOFNUYTGRGFKT-UHFFFAOYSA-N 2 1 255.362 -0.393 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353217386 353528355 /nfs/dbraw/zinc/52/83/55/353528355.db2.gz YKQKAOHLOMGHDB-CYBMUJFWSA-N 2 1 284.404 -0.408 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@@H](C[NH3+])OC)C[C@@H]1C ZINC000353427898 353532294 /nfs/dbraw/zinc/53/22/94/353532294.db2.gz LZKGBMAZNWQWDU-WDEREUQCSA-N 2 1 259.350 -0.861 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@@H](C[NH3+])OC)C[C@@H]1C ZINC000353427898 353532297 /nfs/dbraw/zinc/53/22/97/353532297.db2.gz LZKGBMAZNWQWDU-WDEREUQCSA-N 2 1 259.350 -0.861 20 0 CBADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353437636 353532636 /nfs/dbraw/zinc/53/26/36/353532636.db2.gz JFIUCHVGMCZQHS-KXNHARMFSA-N 2 1 284.404 -0.328 20 0 CBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353437636 353532638 /nfs/dbraw/zinc/53/26/38/353532638.db2.gz JFIUCHVGMCZQHS-KXNHARMFSA-N 2 1 284.404 -0.328 20 0 CBADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353578944 353532955 /nfs/dbraw/zinc/53/29/55/353532955.db2.gz OGGSEFDCOLMSKT-MXWKQRLJSA-N 2 1 270.377 -0.432 20 0 CBADMP COC[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000354067788 353541485 /nfs/dbraw/zinc/54/14/85/353541485.db2.gz GHFFQWGABMKHHE-GHMZBOCLSA-N 2 1 259.350 -0.813 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000354155890 353546107 /nfs/dbraw/zinc/54/61/07/353546107.db2.gz RWOGMJVGODHVBQ-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000354155890 353546108 /nfs/dbraw/zinc/54/61/08/353546108.db2.gz RWOGMJVGODHVBQ-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP CCN1CC[N@H+](C[C@@H](O)CN2CCOCC2)[C@H](C)C1 ZINC000352690868 353501729 /nfs/dbraw/zinc/50/17/29/353501729.db2.gz FWQFGCMRZDUBNY-KGLIPLIRSA-N 2 1 271.405 -0.295 20 0 CBADMP CCN1CC[N@@H+](C[C@@H](O)CN2CCOCC2)[C@H](C)C1 ZINC000352690868 353501732 /nfs/dbraw/zinc/50/17/32/353501732.db2.gz FWQFGCMRZDUBNY-KGLIPLIRSA-N 2 1 271.405 -0.295 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354679742 353577534 /nfs/dbraw/zinc/57/75/34/353577534.db2.gz RBGMLOBMXCPTAU-GFCCVEGCSA-N 2 1 293.371 -0.434 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354706262 353579539 /nfs/dbraw/zinc/57/95/39/353579539.db2.gz KGEBKWNJQLYTEF-STQMWFEESA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000354709740 353579652 /nfs/dbraw/zinc/57/96/52/353579652.db2.gz KDDFOZVJNLYRRZ-FRRDWIJNSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]1CC[NH+](C)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000355486577 353592444 /nfs/dbraw/zinc/59/24/44/353592444.db2.gz QJZZFJXWVXYIEI-ZIAGYGMSSA-N 2 1 297.447 -0.032 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(=O)n(C)c1=O ZINC000357110591 353601522 /nfs/dbraw/zinc/60/15/22/353601522.db2.gz ZVPACDWUJROFBP-WDEREUQCSA-N 2 1 278.356 -0.875 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)C2C[NH2+]C2)C1 ZINC000357085559 353601945 /nfs/dbraw/zinc/60/19/45/353601945.db2.gz KXQQHUBAQXEZIK-AWEZNQCLSA-N 2 1 298.431 -0.637 20 0 CBADMP CC[N@@H+](CC(=O)NC[C@]1(O)CC[NH+](C)C1)C1CC1 ZINC000358058824 353623248 /nfs/dbraw/zinc/62/32/48/353623248.db2.gz RABRVXIYHLWWIQ-CYBMUJFWSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+](CC(=O)NC[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000358058824 353623249 /nfs/dbraw/zinc/62/32/49/353623249.db2.gz RABRVXIYHLWWIQ-CYBMUJFWSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+](CC(=O)NC[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000358058824 353623251 /nfs/dbraw/zinc/62/32/51/353623251.db2.gz RABRVXIYHLWWIQ-CYBMUJFWSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000358432108 353643947 /nfs/dbraw/zinc/64/39/47/353643947.db2.gz URUWTGLMOBXSTN-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000358432108 353643949 /nfs/dbraw/zinc/64/39/49/353643949.db2.gz URUWTGLMOBXSTN-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000358491422 353647330 /nfs/dbraw/zinc/64/73/30/353647330.db2.gz FDUKCHZTZRWSFQ-RYUDHWBXSA-N 2 1 272.393 -0.356 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000357939369 353615864 /nfs/dbraw/zinc/61/58/64/353615864.db2.gz ZIYYYVWMOKTMAR-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CNC(=O)C[NH3+] ZINC000360222660 353657073 /nfs/dbraw/zinc/65/70/73/353657073.db2.gz NANAFWODRQWLME-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP O=C1CNCCN1[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000362677003 353667585 /nfs/dbraw/zinc/66/75/85/353667585.db2.gz WPOMUVAIULHBJR-ZIAGYGMSSA-N 2 1 280.416 -0.118 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[N@H+]1C1CC1 ZINC000365103054 353672724 /nfs/dbraw/zinc/67/27/24/353672724.db2.gz AKAPOVFZMYPARN-CNVPUSNMSA-N 2 1 253.346 -0.549 20 0 CBADMP C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[N@H+]1C1CC1 ZINC000365313101 353673778 /nfs/dbraw/zinc/67/37/78/353673778.db2.gz AKAPOVFZMYPARN-FSZOTQKASA-N 2 1 253.346 -0.549 20 0 CBADMP O[C@@H]1C[NH+](CCOCC[N@@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000368793614 353687239 /nfs/dbraw/zinc/68/72/39/353687239.db2.gz YHRWRJYJANWEPP-ZIAGYGMSSA-N 2 1 296.411 -0.084 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000370948361 353693857 /nfs/dbraw/zinc/69/38/57/353693857.db2.gz SJAFRMZWMLASJG-FNORWQNLSA-N 2 1 296.415 -0.273 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000370948361 353693858 /nfs/dbraw/zinc/69/38/58/353693858.db2.gz SJAFRMZWMLASJG-FNORWQNLSA-N 2 1 296.415 -0.273 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372098604 353710643 /nfs/dbraw/zinc/71/06/43/353710643.db2.gz LSXKJABSBXUBMU-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372098688 353710696 /nfs/dbraw/zinc/71/06/96/353710696.db2.gz MMLYOPMBGFGOBR-YNEHKIRRSA-N 2 1 267.373 -0.204 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000372424564 353717019 /nfs/dbraw/zinc/71/70/19/353717019.db2.gz DZUNEDUUDFOFFQ-OCCSQVGLSA-N 2 1 267.373 -0.223 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000372505867 353717990 /nfs/dbraw/zinc/71/79/90/353717990.db2.gz NEJOWYJTWXIPQL-SCRDCRAPSA-N 2 1 267.373 -0.177 20 0 CBADMP C[C@H](C[NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000375921798 353769788 /nfs/dbraw/zinc/76/97/88/353769788.db2.gz KQYYORPOJRCWBI-GHMZBOCLSA-N 2 1 268.361 -0.996 20 0 CBADMP CC[C@H]([NH3+])C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000378203247 353780093 /nfs/dbraw/zinc/78/00/93/353780093.db2.gz HTNNIGDGAPAWLK-STQMWFEESA-N 2 1 268.405 -0.038 20 0 CBADMP CN(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000385297254 353786661 /nfs/dbraw/zinc/78/66/61/353786661.db2.gz RLTGIRWJOHYGJV-RYUDHWBXSA-N 2 1 275.418 -0.061 20 0 CBADMP CN(C)S(=O)(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000385297254 353786663 /nfs/dbraw/zinc/78/66/63/353786663.db2.gz RLTGIRWJOHYGJV-RYUDHWBXSA-N 2 1 275.418 -0.061 20 0 CBADMP C[S@@](=O)C1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000380236784 353782712 /nfs/dbraw/zinc/78/27/12/353782712.db2.gz ARTMQMNWUIEYQF-APPDUMDISA-N 2 1 260.403 -0.056 20 0 CBADMP CO[C@]1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000381400644 353784358 /nfs/dbraw/zinc/78/43/58/353784358.db2.gz WLMKXOKMXBVQPS-STQMWFEESA-N 2 1 258.362 -0.163 20 0 CBADMP CO[C@]1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000381400644 353784360 /nfs/dbraw/zinc/78/43/60/353784360.db2.gz WLMKXOKMXBVQPS-STQMWFEESA-N 2 1 258.362 -0.163 20 0 CBADMP CN(C)S(=O)(=O)CC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000383129974 353784873 /nfs/dbraw/zinc/78/48/73/353784873.db2.gz RXBHSWGVBLXPCU-JTQLQIEISA-N 2 1 263.407 -0.145 20 0 CBADMP COC(=O)[C@]1(C)C[N@@H+](CC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000374377115 353744351 /nfs/dbraw/zinc/74/43/51/353744351.db2.gz ZGOBMVUZOBNORM-IUODEOHRSA-N 2 1 297.399 -0.109 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@H](C)[NH3+] ZINC000399553968 353797725 /nfs/dbraw/zinc/79/77/25/353797725.db2.gz DHOSCXWFYDIVCR-XQQFMLRXSA-N 2 1 270.421 -0.032 20 0 CBADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400165387 353799729 /nfs/dbraw/zinc/79/97/29/353799729.db2.gz IWHZRWFOSPKDOV-UTUOFQBUSA-N 2 1 275.418 -0.050 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400165387 353799731 /nfs/dbraw/zinc/79/97/31/353799731.db2.gz IWHZRWFOSPKDOV-UTUOFQBUSA-N 2 1 275.418 -0.050 20 0 CBADMP CO[C@H]1C[C@@H](C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)[N@@H+](C)C1 ZINC000408056049 353839334 /nfs/dbraw/zinc/83/93/34/353839334.db2.gz CDJLJPDDZYZTJX-MQYQWHSLSA-N 2 1 299.415 -0.381 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000388584436 353789830 /nfs/dbraw/zinc/78/98/30/353789830.db2.gz KFKVYPOZMDRPGR-KWBADKCTSA-N 2 1 268.361 -0.109 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000388584436 353789832 /nfs/dbraw/zinc/78/98/32/353789832.db2.gz KFKVYPOZMDRPGR-KWBADKCTSA-N 2 1 268.361 -0.109 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)C(C)(C)C1 ZINC000388872645 353790378 /nfs/dbraw/zinc/79/03/78/353790378.db2.gz RLFBTDJQRODPCJ-ZDUSSCGKSA-N 2 1 273.421 -0.049 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](C)C(C)(C)C1 ZINC000388872645 353790381 /nfs/dbraw/zinc/79/03/81/353790381.db2.gz RLFBTDJQRODPCJ-ZDUSSCGKSA-N 2 1 273.421 -0.049 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000388872645 353790383 /nfs/dbraw/zinc/79/03/83/353790383.db2.gz RLFBTDJQRODPCJ-ZDUSSCGKSA-N 2 1 273.421 -0.049 20 0 CBADMP Cn1[nH]c(C[NH+]2CCC(C[NH+](C)C)CC2)nc1=O ZINC000408195499 353870034 /nfs/dbraw/zinc/87/00/34/353870034.db2.gz QFMREJDDLKFJBV-UHFFFAOYSA-N 2 1 253.350 -0.118 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000410475290 353929469 /nfs/dbraw/zinc/92/94/69/353929469.db2.gz MMQMMDMYNIAHFE-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H]1C ZINC000410709263 353935635 /nfs/dbraw/zinc/93/56/35/353935635.db2.gz FENVNLYIDWGBOR-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H]1C ZINC000410709263 353935636 /nfs/dbraw/zinc/93/56/36/353935636.db2.gz FENVNLYIDWGBOR-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP CCNC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000411738564 353940199 /nfs/dbraw/zinc/94/01/99/353940199.db2.gz UKCRKXNAZUNAQE-UHFFFAOYSA-N 2 1 258.410 -0.062 20 0 CBADMP COCC[NH+]1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418409947 353996778 /nfs/dbraw/zinc/99/67/78/353996778.db2.gz BADXCAZUGJGDDI-UHFFFAOYSA-N 2 1 258.366 -0.303 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)NCCC[NH+]1CCOCC1 ZINC000416789545 353972989 /nfs/dbraw/zinc/97/29/89/353972989.db2.gz KJCYIFLCBKROHP-LBPRGKRZSA-N 2 1 272.393 -0.137 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)NCCC[NH+]1CCOCC1 ZINC000416789602 353973048 /nfs/dbraw/zinc/97/30/48/353973048.db2.gz KNYYPFBYSJXINL-NSHDSACASA-N 2 1 258.366 -0.255 20 0 CBADMP C[NH2+]CCNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000416934705 353974074 /nfs/dbraw/zinc/97/40/74/353974074.db2.gz DYSXXPMPAQWMHH-GFCCVEGCSA-N 2 1 272.393 -0.138 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000418416691 353996990 /nfs/dbraw/zinc/99/69/90/353996990.db2.gz VVVRKLQCYKBQJQ-RYUDHWBXSA-N 2 1 272.393 -0.322 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)NCCC[N@@H+](C)CCOC)C1 ZINC000417087283 353975627 /nfs/dbraw/zinc/97/56/27/353975627.db2.gz DXCWSYXCQBSHRF-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP CC[N@@H+](CCNC(=O)N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000417433090 353977296 /nfs/dbraw/zinc/97/72/96/353977296.db2.gz UYANQUOHPHINOX-LBPRGKRZSA-N 2 1 270.377 -0.160 20 0 CBADMP CC[N@@H+](CCNC(=O)N(CC[NH3+])CCO)C(C)C ZINC000417463787 353978052 /nfs/dbraw/zinc/97/80/52/353978052.db2.gz PMUVHDGQLMWNSH-UHFFFAOYSA-N 2 1 260.382 -0.321 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH3+])CCO ZINC000417581816 353980357 /nfs/dbraw/zinc/98/03/57/353980357.db2.gz GUDCORUSJLEUPJ-GFCCVEGCSA-N 2 1 272.393 -0.177 20 0 CBADMP C[C@@H](CNC(=O)NC[C@H]([NH3+])C1CC1)C[NH+]1CCOCC1 ZINC000417707458 353980579 /nfs/dbraw/zinc/98/05/79/353980579.db2.gz AZPCITQYISVPRY-AAEUAGOBSA-N 2 1 284.404 -0.009 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000417706813 353981368 /nfs/dbraw/zinc/98/13/68/353981368.db2.gz AIHHNXLMMGXNKY-RYUDHWBXSA-N 2 1 272.393 -0.151 20 0 CBADMP CC[NH2+]CCNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000417728853 353981977 /nfs/dbraw/zinc/98/19/77/353981977.db2.gz PPAFYGOGYQSBPY-LBPRGKRZSA-N 2 1 272.393 -0.137 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000417736345 353982010 /nfs/dbraw/zinc/98/20/10/353982010.db2.gz WXLTYLDJVFLVRM-NWDGAFQWSA-N 2 1 272.393 -0.009 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000417719197 353982459 /nfs/dbraw/zinc/98/24/59/353982459.db2.gz WOMUNCCWCCVHEZ-LLVKDONJSA-N 2 1 256.350 -0.678 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417813558 353982918 /nfs/dbraw/zinc/98/29/18/353982918.db2.gz MKTRBLQIKLOBGV-CYBMUJFWSA-N 2 1 285.436 -0.079 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)NCC[N@@H+](C)CCCOC ZINC000417760310 353982956 /nfs/dbraw/zinc/98/29/56/353982956.db2.gz XMAGXRMXVWEITR-LLVKDONJSA-N 2 1 260.382 -0.009 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)NCC[N@@H+](C)CCCOC)C1 ZINC000417741315 353983074 /nfs/dbraw/zinc/98/30/74/353983074.db2.gz ADBRFQRGZXGBHK-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)NCCN1CC[NH2+]CC1 ZINC000417822907 353983202 /nfs/dbraw/zinc/98/32/02/353983202.db2.gz XNUPXUUELWCBHL-UHFFFAOYSA-N 2 1 285.436 -0.077 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417748080 353983405 /nfs/dbraw/zinc/98/34/05/353983405.db2.gz HYRDJDZISGQFFW-LBPRGKRZSA-N 2 1 272.393 -0.009 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)CCC[N@H+]1C ZINC000418004229 353986482 /nfs/dbraw/zinc/98/64/82/353986482.db2.gz NXXKFBZJTCJNET-VXGBXAGGSA-N 2 1 282.388 -0.147 20 0 CBADMP COCC[NH+]1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418463219 353997642 /nfs/dbraw/zinc/99/76/42/353997642.db2.gz CSRYFRVGTUAVLP-NSHDSACASA-N 2 1 258.366 -0.445 20 0 CBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC[NH3+])CC1 ZINC000418301749 353991877 /nfs/dbraw/zinc/99/18/77/353991877.db2.gz ZFQFBVBTJCXFGO-ZDUSSCGKSA-N 2 1 283.420 -0.243 20 0 CBADMP CC[NH2+]CCNC(=O)N1CC[NH+](CCOCC)CC1 ZINC000418320165 353992763 /nfs/dbraw/zinc/99/27/63/353992763.db2.gz SWXOCECFDBMSEW-UHFFFAOYSA-N 2 1 272.393 -0.040 20 0 CBADMP CC[NH2+]CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418321552 353993798 /nfs/dbraw/zinc/99/37/98/353993798.db2.gz ZMTGUDGTPQNFGD-GFCCVEGCSA-N 2 1 297.403 -0.798 20 0 CBADMP C[NH2+]CCNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000418332315 353993834 /nfs/dbraw/zinc/99/38/34/353993834.db2.gz RFRNYIMOFGUMEI-UHFFFAOYSA-N 2 1 272.393 -0.042 20 0 CBADMP C[NH2+]CCNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000418332315 353993835 /nfs/dbraw/zinc/99/38/35/353993835.db2.gz RFRNYIMOFGUMEI-UHFFFAOYSA-N 2 1 272.393 -0.042 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418335658 353993919 /nfs/dbraw/zinc/99/39/19/353993919.db2.gz HIBUIRZMIRXZBU-QMMMGPOBSA-N 2 1 250.293 -0.121 20 0 CBADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)N[C@@H]1CC[NH2+]C1 ZINC000418374687 353994659 /nfs/dbraw/zinc/99/46/59/353994659.db2.gz GYCTUIHGMHYVQN-NEPJUHHUSA-N 2 1 270.377 -0.506 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000418362972 353994765 /nfs/dbraw/zinc/99/47/65/353994765.db2.gz BOEKQIJLNJJNCP-CHWSQXEVSA-N 2 1 286.420 -0.012 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418387599 353995668 /nfs/dbraw/zinc/99/56/68/353995668.db2.gz RDQDGUUOIWDGBU-NSHDSACASA-N 2 1 256.350 -0.678 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000418379730 353996192 /nfs/dbraw/zinc/99/61/92/353996192.db2.gz WGNQEGUSKLZOGQ-CHWSQXEVSA-N 2 1 284.404 -0.116 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000413922326 353960971 /nfs/dbraw/zinc/96/09/71/353960971.db2.gz POLLVBUIFDASDM-GFCCVEGCSA-N 2 1 285.388 -0.109 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000413922326 353960975 /nfs/dbraw/zinc/96/09/75/353960975.db2.gz POLLVBUIFDASDM-GFCCVEGCSA-N 2 1 285.388 -0.109 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413922326 353960978 /nfs/dbraw/zinc/96/09/78/353960978.db2.gz POLLVBUIFDASDM-GFCCVEGCSA-N 2 1 285.388 -0.109 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413922326 353960981 /nfs/dbraw/zinc/96/09/81/353960981.db2.gz POLLVBUIFDASDM-GFCCVEGCSA-N 2 1 285.388 -0.109 20 0 CBADMP C[C@H]1C[C@@H](C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000414651146 353963505 /nfs/dbraw/zinc/96/35/05/353963505.db2.gz FFELTSQBZFVGDT-STQMWFEESA-N 3 1 268.405 -0.262 20 0 CBADMP C[C@H]1C[C@@H](C[N@H+](C)CC(=O)N2CCNCC2)CC[NH2+]1 ZINC000414651146 353963506 /nfs/dbraw/zinc/96/35/06/353963506.db2.gz FFELTSQBZFVGDT-STQMWFEESA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@H]1C[C@@H](C[N@@H+](C)CC(=O)N2CCNCC2)CC[NH2+]1 ZINC000414651146 353963508 /nfs/dbraw/zinc/96/35/08/353963508.db2.gz FFELTSQBZFVGDT-STQMWFEESA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000418500836 353998820 /nfs/dbraw/zinc/99/88/20/353998820.db2.gz ZOWNRUUIOUHKDA-SDDRHHMPSA-N 2 1 272.393 -0.322 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000418510748 354000133 /nfs/dbraw/zinc/00/01/33/354000133.db2.gz INYWXTJQQYNPLG-LLVKDONJSA-N 2 1 258.366 -0.303 20 0 CBADMP COCC[NH2+]CCNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000418504355 354000436 /nfs/dbraw/zinc/00/04/36/354000436.db2.gz BMHVTRQFXHHHBS-LBPRGKRZSA-N 2 1 276.356 -0.435 20 0 CBADMP CC[N@H+](CCO)CCNC(=O)NCC(F)(F)C[NH3+] ZINC000418521826 354000786 /nfs/dbraw/zinc/00/07/86/354000786.db2.gz HQFRWNKMBHEJBB-UHFFFAOYSA-N 2 1 268.308 -0.806 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCC(F)(F)C[NH3+] ZINC000418521826 354000788 /nfs/dbraw/zinc/00/07/88/354000788.db2.gz HQFRWNKMBHEJBB-UHFFFAOYSA-N 2 1 268.308 -0.806 20 0 CBADMP COCCN(CC[NH+](C)C)C(=O)NCC(F)(F)C[NH3+] ZINC000418526964 354001596 /nfs/dbraw/zinc/00/15/96/354001596.db2.gz SJJHKEXDVACZQR-UHFFFAOYSA-N 2 1 282.335 -0.200 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NCCNc1cc[nH+]cc1 ZINC000418527681 354001602 /nfs/dbraw/zinc/00/16/02/354001602.db2.gz TWZKDCRZWVSVTB-UHFFFAOYSA-N 2 1 273.287 -0.191 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000418562533 354003107 /nfs/dbraw/zinc/00/31/07/354003107.db2.gz GISGBKCDUASVNY-GARJFASQSA-N 2 1 258.366 -0.570 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000418614688 354004570 /nfs/dbraw/zinc/00/45/70/354004570.db2.gz GIMGLLWQKOLZOQ-OCCSQVGLSA-N 2 1 284.404 -0.130 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000418949603 354016479 /nfs/dbraw/zinc/01/64/79/354016479.db2.gz VDECODPBEHGFMW-UHFFFAOYSA-N 2 1 292.383 -0.430 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000418989538 354020390 /nfs/dbraw/zinc/02/03/90/354020390.db2.gz UFHFSIZYBKELTG-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419026311 354025081 /nfs/dbraw/zinc/02/50/81/354025081.db2.gz NKSVOAXCQLZYFJ-FRRDWIJNSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419032408 354025275 /nfs/dbraw/zinc/02/52/75/354025275.db2.gz WMQLSZWONGXIHN-UPJWGTAASA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)C1 ZINC000419033410 354026920 /nfs/dbraw/zinc/02/69/20/354026920.db2.gz XHWJJRNPCAIVGK-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419080737 354027076 /nfs/dbraw/zinc/02/70/76/354027076.db2.gz QFMCJNRPRWOAQE-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419081217 354027091 /nfs/dbraw/zinc/02/70/91/354027091.db2.gz RHTSMVBRUXSKOQ-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419083624 354027387 /nfs/dbraw/zinc/02/73/87/354027387.db2.gz XAPMLILZFDQDSF-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CCCCC1)C1CC1 ZINC000419082853 354027586 /nfs/dbraw/zinc/02/75/86/354027586.db2.gz AYYHTZRHVISRTG-UHFFFAOYSA-N 2 1 296.415 -0.025 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419083623 354027597 /nfs/dbraw/zinc/02/75/97/354027597.db2.gz XAPMLILZFDQDSF-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC[NH2+]C ZINC000419071419 354027820 /nfs/dbraw/zinc/02/78/20/354027820.db2.gz AAJCDUFMHUAFBU-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP C[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C[C@H]1C[NH3+] ZINC000419111742 354028746 /nfs/dbraw/zinc/02/87/46/354028746.db2.gz UNLUOZBAQYQGPN-NWDGAFQWSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000419133675 354030502 /nfs/dbraw/zinc/03/05/02/354030502.db2.gz GHZACBVNPQPQRL-QWRGUYRKSA-N 2 1 280.372 -0.840 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419283244 354043308 /nfs/dbraw/zinc/04/33/08/354043308.db2.gz JLUUKDSENDADBU-BETUJISGSA-N 2 1 296.415 -0.488 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419159455 354034172 /nfs/dbraw/zinc/03/41/72/354034172.db2.gz ZCYLNNNTTZGPDL-PWSUYJOCSA-N 2 1 282.388 -0.561 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000419159452 354034433 /nfs/dbraw/zinc/03/44/33/354034433.db2.gz ZCYLNNNTTZGPDL-CMPLNLGQSA-N 2 1 282.388 -0.561 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000419215968 354037181 /nfs/dbraw/zinc/03/71/81/354037181.db2.gz AVYWDVSLKRSKPE-GFCCVEGCSA-N 2 1 280.372 -0.686 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000419222942 354037872 /nfs/dbraw/zinc/03/78/72/354037872.db2.gz LMTCTEBJFABPIR-OLZOCXBDSA-N 2 1 294.399 -0.440 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419225023 354038997 /nfs/dbraw/zinc/03/89/97/354038997.db2.gz OFLSBDNZXUEYGO-CYBMUJFWSA-N 2 1 294.399 -0.392 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)C1 ZINC000419230771 354039147 /nfs/dbraw/zinc/03/91/47/354039147.db2.gz ZAPBILLMMRBIKA-ZDUSSCGKSA-N 2 1 294.399 -0.425 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000419227962 354039356 /nfs/dbraw/zinc/03/93/56/354039356.db2.gz UHEGHJADEZCELI-CYBMUJFWSA-N 2 1 296.415 -0.131 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000419226649 354039387 /nfs/dbraw/zinc/03/93/87/354039387.db2.gz RFWHOPXSIWSBAX-UHFFFAOYSA-N 2 1 282.388 -0.392 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCC[N@H+]1C ZINC000419558482 354061635 /nfs/dbraw/zinc/06/16/35/354061635.db2.gz NYIRUFVBHFUSLC-ADEWGFFLSA-N 2 1 282.388 -0.561 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419874520 354087750 /nfs/dbraw/zinc/08/77/50/354087750.db2.gz WBWJLTDZVFGUQS-CHWSQXEVSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419554699 354061826 /nfs/dbraw/zinc/06/18/26/354061826.db2.gz ICLKTGHIIQVXRG-UTUOFQBUSA-N 2 1 282.388 -0.594 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000419872318 354087813 /nfs/dbraw/zinc/08/78/13/354087813.db2.gz LHGPEYNVVMNAFD-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419565212 354062792 /nfs/dbraw/zinc/06/27/92/354062792.db2.gz YMRBULDTSOWGND-MXWKQRLJSA-N 2 1 270.377 -0.691 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCC[N@H+]1C ZINC000419566267 354062971 /nfs/dbraw/zinc/06/29/71/354062971.db2.gz ZSQVZLCUBRQFJX-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000419566013 354063066 /nfs/dbraw/zinc/06/30/66/354063066.db2.gz ZJGQLTGGAMJWNI-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000419576282 354063100 /nfs/dbraw/zinc/06/31/00/354063100.db2.gz BULQLUPYVYIBNR-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000419579428 354063559 /nfs/dbraw/zinc/06/35/59/354063559.db2.gz GAJXYLWGGKYFLN-NWDGAFQWSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419580438 354063574 /nfs/dbraw/zinc/06/35/74/354063574.db2.gz HKQSXKPRLKACGP-QWHCGFSZSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419579897 354063698 /nfs/dbraw/zinc/06/36/98/354063698.db2.gz GXNUMRNJHGXAJA-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419578054 354063796 /nfs/dbraw/zinc/06/37/96/354063796.db2.gz DTVJKOJXDFRNBD-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419583978 354064172 /nfs/dbraw/zinc/06/41/72/354064172.db2.gz KUJCEOURJARHRE-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000419585261 354064271 /nfs/dbraw/zinc/06/42/71/354064271.db2.gz LWBCQIWODZHVKK-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419580439 354064298 /nfs/dbraw/zinc/06/42/98/354064298.db2.gz HKQSXKPRLKACGP-STQMWFEESA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])[N@@H+](C)C1CC1 ZINC000419590906 354064642 /nfs/dbraw/zinc/06/46/42/354064642.db2.gz QUKZTBRORVYRGE-VHSXEESVSA-N 2 1 270.377 -0.704 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419593161 354064731 /nfs/dbraw/zinc/06/47/31/354064731.db2.gz SRMDFWRFCYZWPY-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[N@@H+](C)C1CC1 ZINC000419596386 354064842 /nfs/dbraw/zinc/06/48/42/354064842.db2.gz YAVQXBFWMQSICM-JOYOIKCWSA-N 2 1 282.388 -0.561 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419596375 354065621 /nfs/dbraw/zinc/06/56/21/354065621.db2.gz YADWEWAPNASUBV-QWHCGFSZSA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419667309 354068195 /nfs/dbraw/zinc/06/81/95/354068195.db2.gz ACQMREHXCJMVQZ-NWDGAFQWSA-N 2 1 284.404 -0.314 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419758166 354075158 /nfs/dbraw/zinc/07/51/58/354075158.db2.gz DPQRUCKDBJTVDY-NSHDSACASA-N 2 1 272.393 -0.455 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419768400 354076206 /nfs/dbraw/zinc/07/62/06/354076206.db2.gz UJKCBVLGBGMPTQ-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000419770002 354076355 /nfs/dbraw/zinc/07/63/55/354076355.db2.gz FGPSUHHWHRKDKO-GHMZBOCLSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000419770003 354076377 /nfs/dbraw/zinc/07/63/77/354076377.db2.gz FGPSUHHWHRKDKO-MNOVXSKESA-N 2 1 284.404 -0.314 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419783843 354077079 /nfs/dbraw/zinc/07/70/79/354077079.db2.gz VRVGAGIVHRJDLA-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000419782605 354077249 /nfs/dbraw/zinc/07/72/49/354077249.db2.gz UJYHIMXZJOKCKB-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH2+]CC1 ZINC000419805039 354079603 /nfs/dbraw/zinc/07/96/03/354079603.db2.gz BVDCQGMDQXBCQX-NEPJUHHUSA-N 2 1 280.372 -0.839 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419831929 354081408 /nfs/dbraw/zinc/08/14/08/354081408.db2.gz RGJPZZHNKAGQDM-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCCC[NH3+])C[C@H]1C ZINC000419836065 354081872 /nfs/dbraw/zinc/08/18/72/354081872.db2.gz XAWWXNINVXMRIQ-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCCC[NH3+])C[C@H]1C ZINC000419836065 354081877 /nfs/dbraw/zinc/08/18/77/354081877.db2.gz XAWWXNINVXMRIQ-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419839378 354083488 /nfs/dbraw/zinc/08/34/88/354083488.db2.gz HGXZCIOAUJPUAK-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH2+]CC2)C[C@H]1C ZINC000419845010 354083672 /nfs/dbraw/zinc/08/36/72/354083672.db2.gz DBEXEQBUFVTOMN-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH2+]CC2)C[C@H]1C ZINC000419845010 354083677 /nfs/dbraw/zinc/08/36/77/354083677.db2.gz DBEXEQBUFVTOMN-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000419846513 354083753 /nfs/dbraw/zinc/08/37/53/354083753.db2.gz QBDSWSHBWFEGTC-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH2+]CC2)C[C@@H]1C ZINC000419845014 354084180 /nfs/dbraw/zinc/08/41/80/354084180.db2.gz DBEXEQBUFVTOMN-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH2+]CC2)C[C@@H]1C ZINC000419845014 354084183 /nfs/dbraw/zinc/08/41/83/354084183.db2.gz DBEXEQBUFVTOMN-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419853337 354085401 /nfs/dbraw/zinc/08/54/01/354085401.db2.gz ANXFZPDNLZOKED-ZDUSSCGKSA-N 2 1 296.415 -0.360 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000419861768 354086235 /nfs/dbraw/zinc/08/62/35/354086235.db2.gz AAFCRYAGIXJUIY-NSHDSACASA-N 2 1 270.377 -0.879 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000419861768 354086238 /nfs/dbraw/zinc/08/62/38/354086238.db2.gz AAFCRYAGIXJUIY-NSHDSACASA-N 2 1 270.377 -0.879 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419287769 354044599 /nfs/dbraw/zinc/04/45/99/354044599.db2.gz QMOUAAWOQUODME-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419290012 354045030 /nfs/dbraw/zinc/04/50/30/354045030.db2.gz UUIHIEINEQKSJH-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419300855 354045047 /nfs/dbraw/zinc/04/50/47/354045047.db2.gz MVUJVYZWORSNJB-PHIMTYICSA-N 2 1 293.371 -0.483 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[N@H+]1C1CC1 ZINC000419316672 354045633 /nfs/dbraw/zinc/04/56/33/354045633.db2.gz LOWDFFROQGDGNG-TUAOUCFPSA-N 2 1 294.399 -0.452 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000419315586 354046243 /nfs/dbraw/zinc/04/62/43/354046243.db2.gz KGVCIGNCFNYQPU-NTZNESFSSA-N 2 1 296.415 -0.173 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000419328893 354046879 /nfs/dbraw/zinc/04/68/79/354046879.db2.gz FYJIQZSHCQGXRJ-YPMHNXCESA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000419340846 354047075 /nfs/dbraw/zinc/04/70/75/354047075.db2.gz XOBYDFUOIPDBHC-RTXFEEFZSA-N 2 1 296.415 -0.315 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000419403481 354051775 /nfs/dbraw/zinc/05/17/75/354051775.db2.gz DZWVBXPYCAMZIH-NSHDSACASA-N 2 1 298.412 -0.116 20 0 CBADMP C[N@@H+](CCCNC(=O)C(=O)NCC[NH3+])C1CCCCC1 ZINC000419406358 354051791 /nfs/dbraw/zinc/05/17/91/354051791.db2.gz IQSJYCHJDDIVCT-UHFFFAOYSA-N 2 1 284.404 -0.168 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419408445 354052606 /nfs/dbraw/zinc/05/26/06/354052606.db2.gz LOMFVMBRSVINMG-AAEUAGOBSA-N 2 1 296.415 -0.312 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000419411508 354052665 /nfs/dbraw/zinc/05/26/65/354052665.db2.gz PWQFNLNLEIKKGS-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419413092 354052682 /nfs/dbraw/zinc/05/26/82/354052682.db2.gz RPANLOUQGCZKOQ-GFCCVEGCSA-N 2 1 284.404 -0.440 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000419410011 354052712 /nfs/dbraw/zinc/05/27/12/354052712.db2.gz NWTALLJIIPRYNG-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419414706 354052723 /nfs/dbraw/zinc/05/27/23/354052723.db2.gz UHVHOPVOHVVDJF-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419417649 354053258 /nfs/dbraw/zinc/05/32/58/354053258.db2.gz XKDQVIPLMSBREC-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419415254 354053451 /nfs/dbraw/zinc/05/34/51/354053451.db2.gz VDHCPDYSCYPKCP-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419415204 354053606 /nfs/dbraw/zinc/05/36/06/354053606.db2.gz UWVHNXZSZYVUNN-NWDGAFQWSA-N 2 1 284.404 -0.455 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419419089 354053651 /nfs/dbraw/zinc/05/36/51/354053651.db2.gz YVRZDFDOABPREJ-STQMWFEESA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000419419460 354053859 /nfs/dbraw/zinc/05/38/59/354053859.db2.gz ZAACHTJPASXEQM-BETUJISGSA-N 2 1 298.431 -0.112 20 0 CBADMP CC[N@H+](CCNC(=O)C(=O)NCC(F)(F)C[NH3+])C1CC1 ZINC000419509186 354056176 /nfs/dbraw/zinc/05/61/76/354056176.db2.gz DMDDVBQVSSIHNK-UHFFFAOYSA-N 2 1 292.330 -0.703 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC(F)(F)C[NH3+])C1CC1 ZINC000419509186 354056180 /nfs/dbraw/zinc/05/61/80/354056180.db2.gz DMDDVBQVSSIHNK-UHFFFAOYSA-N 2 1 292.330 -0.703 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)C1CC1 ZINC000419502244 354056883 /nfs/dbraw/zinc/05/68/83/354056883.db2.gz CLYLYFYVGBLMKZ-AAEUAGOBSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000419519087 354057339 /nfs/dbraw/zinc/05/73/39/354057339.db2.gz FOKHISIYAZSAQY-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C1CC1 ZINC000419509227 354057740 /nfs/dbraw/zinc/05/77/40/354057740.db2.gz DSWXUXDWXSPSCA-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCC[NH2+]C ZINC000419525210 354058143 /nfs/dbraw/zinc/05/81/43/354058143.db2.gz RCOLJTGNDWEGJG-LLVKDONJSA-N 2 1 272.393 -0.441 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419527523 354058468 /nfs/dbraw/zinc/05/84/68/354058468.db2.gz VHYUEULOKORNNV-JTQLQIEISA-N 2 1 272.393 -0.314 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[NH2+]C ZINC000419524552 354058690 /nfs/dbraw/zinc/05/86/90/354058690.db2.gz QDSZSEOAVSKMHN-SNVBAGLBSA-N 2 1 258.366 -0.832 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419527011 354058694 /nfs/dbraw/zinc/05/86/94/354058694.db2.gz URIARJDIFFLSSE-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419561418 354061485 /nfs/dbraw/zinc/06/14/85/354061485.db2.gz SJSUVALIUJGZRR-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000420596553 354132577 /nfs/dbraw/zinc/13/25/77/354132577.db2.gz HNCFDCVXPIXAQR-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000419880758 354089048 /nfs/dbraw/zinc/08/90/48/354089048.db2.gz ALHJQGYAZWLASY-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000419880758 354089051 /nfs/dbraw/zinc/08/90/51/354089051.db2.gz ALHJQGYAZWLASY-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000419890330 354089580 /nfs/dbraw/zinc/08/95/80/354089580.db2.gz MBOYUUCMBPCEPD-GFCCVEGCSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000419890330 354089583 /nfs/dbraw/zinc/08/95/83/354089583.db2.gz MBOYUUCMBPCEPD-GFCCVEGCSA-N 2 1 284.404 -0.489 20 0 CBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419889808 354089703 /nfs/dbraw/zinc/08/97/03/354089703.db2.gz SDMBBSMPNJRBFJ-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC[NH2+]C)C(C)C ZINC000419895190 354090643 /nfs/dbraw/zinc/09/06/43/354090643.db2.gz MAFGHSAKRGJDES-UHFFFAOYSA-N 2 1 258.366 -0.832 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000419891062 354090759 /nfs/dbraw/zinc/09/07/59/354090759.db2.gz MSHZZLYQJHNQMR-UHFFFAOYSA-N 2 1 270.377 -0.734 20 0 CBADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000419905058 354091508 /nfs/dbraw/zinc/09/15/08/354091508.db2.gz UGJBUDPSEMYJRL-GFCCVEGCSA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419898246 354092163 /nfs/dbraw/zinc/09/21/63/354092163.db2.gz WPMIGBPEEAKIKS-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000419924286 354093530 /nfs/dbraw/zinc/09/35/30/354093530.db2.gz QVFVRUXNRTUFMC-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000419911417 354093698 /nfs/dbraw/zinc/09/36/98/354093698.db2.gz BHSRVGKAWONGHD-RWMBFGLXSA-N 2 1 294.399 -0.593 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000419937601 354094468 /nfs/dbraw/zinc/09/44/68/354094468.db2.gz WACNJPHKMJDJDU-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000419954783 354096474 /nfs/dbraw/zinc/09/64/74/354096474.db2.gz QVRUYVUCLNLKFQ-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000419964029 354098391 /nfs/dbraw/zinc/09/83/91/354098391.db2.gz ZTAOHWVWFPRASG-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000419982513 354099807 /nfs/dbraw/zinc/09/98/07/354099807.db2.gz SZQTUUGLDVHWFG-XQQFMLRXSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000419991367 354100042 /nfs/dbraw/zinc/10/00/42/354100042.db2.gz IMVYDFASVQQJTQ-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000419982515 354100432 /nfs/dbraw/zinc/10/04/32/354100432.db2.gz SZQTUUGLDVHWFG-YNEHKIRRSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000420014427 354101937 /nfs/dbraw/zinc/10/19/37/354101937.db2.gz KECGEMQGQVRPFB-NSHDSACASA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000420010009 354102139 /nfs/dbraw/zinc/10/21/39/354102139.db2.gz WXRJLUTVGLASFC-SNVBAGLBSA-N 2 1 268.361 -0.996 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000420053352 354105249 /nfs/dbraw/zinc/10/52/49/354105249.db2.gz XNOIKAVTYIGODP-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000420153353 354113839 /nfs/dbraw/zinc/11/38/39/354113839.db2.gz GMESAOGYAYFSGO-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CCOC(=O)c1c[nH+]ccc1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420232486 354119760 /nfs/dbraw/zinc/11/97/60/354119760.db2.gz AENMEYNBRVFZOD-JOYOIKCWSA-N 2 1 265.313 -0.328 20 0 CBADMP CC(C)OC(=O)CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000420272805 354120751 /nfs/dbraw/zinc/12/07/51/354120751.db2.gz MOJIREIHOCVXPC-UHFFFAOYSA-N 2 1 271.361 -0.308 20 0 CBADMP CC(C)OC(=O)CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000420272805 354120752 /nfs/dbraw/zinc/12/07/52/354120752.db2.gz MOJIREIHOCVXPC-UHFFFAOYSA-N 2 1 271.361 -0.308 20 0 CBADMP COC(=O)CC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420302601 354121753 /nfs/dbraw/zinc/12/17/53/354121753.db2.gz WMXROVPVBNMTAJ-LBPRGKRZSA-N 2 1 283.372 -0.307 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420302340 354121921 /nfs/dbraw/zinc/12/19/21/354121921.db2.gz FSVUVHJYJMYAJM-TUAOUCFPSA-N 2 1 283.372 -0.275 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420302335 354121964 /nfs/dbraw/zinc/12/19/64/354121964.db2.gz FSVUVHJYJMYAJM-SDDRHHMPSA-N 2 1 283.372 -0.275 20 0 CBADMP O=C1CNCCN1[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420309643 354122477 /nfs/dbraw/zinc/12/24/77/354122477.db2.gz OYEZOYFQLLKQBE-ZIAGYGMSSA-N 2 1 280.416 -0.118 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420318658 354123208 /nfs/dbraw/zinc/12/32/08/354123208.db2.gz OIGQRNQZLKYFTD-MNOVXSKESA-N 2 1 263.407 -0.015 20 0 CBADMP CCC[C@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420360261 354125049 /nfs/dbraw/zinc/12/50/49/354125049.db2.gz LTSCVXSZEQXNJK-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP CCC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420360261 354125053 /nfs/dbraw/zinc/12/50/53/354125053.db2.gz LTSCVXSZEQXNJK-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP CNC(=O)NC(=O)CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420358249 354125425 /nfs/dbraw/zinc/12/54/25/354125425.db2.gz FELHGNYCCBISDW-WCABBAIRSA-N 2 1 256.350 -0.192 20 0 CBADMP CCOC(=O)[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420366395 354125514 /nfs/dbraw/zinc/12/55/14/354125514.db2.gz UKROJNFQOMPSII-GFCCVEGCSA-N 2 1 283.372 -0.164 20 0 CBADMP CCOC(=O)[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420366395 354125516 /nfs/dbraw/zinc/12/55/16/354125516.db2.gz UKROJNFQOMPSII-GFCCVEGCSA-N 2 1 283.372 -0.164 20 0 CBADMP C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000420401256 354126754 /nfs/dbraw/zinc/12/67/54/354126754.db2.gz IYZZJEXGNPKTHO-STQMWFEESA-N 3 1 268.405 -0.275 20 0 CBADMP C[C@H]1CC[N@H+](CCC(=O)N2CCNCC2)C[C@@H]1C[NH3+] ZINC000420401256 354126760 /nfs/dbraw/zinc/12/67/60/354126760.db2.gz IYZZJEXGNPKTHO-STQMWFEESA-N 2 1 268.405 -0.275 20 0 CBADMP C[C@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C[C@@H]1C[NH3+] ZINC000420401256 354126762 /nfs/dbraw/zinc/12/67/62/354126762.db2.gz IYZZJEXGNPKTHO-STQMWFEESA-N 2 1 268.405 -0.275 20 0 CBADMP C[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCN1S(C)(=O)=O ZINC000420369839 354126805 /nfs/dbraw/zinc/12/68/05/354126805.db2.gz JBTGKMUVADGEMK-RYUDHWBXSA-N 2 1 275.418 -0.048 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH2+]1 ZINC000423367882 354172345 /nfs/dbraw/zinc/17/23/45/354172345.db2.gz ASQIVDKDODSCEN-XQQFMLRXSA-N 2 1 294.399 -0.498 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@]2(COC)CC[NH2+]C2)C[C@@H]1C ZINC000423390642 354173310 /nfs/dbraw/zinc/17/33/10/354173310.db2.gz OTMSLVIWBFPWDH-DZGCQCFKSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@]2(COC)CC[NH2+]C2)C[C@@H]1C ZINC000423390642 354173315 /nfs/dbraw/zinc/17/33/15/354173315.db2.gz OTMSLVIWBFPWDH-DZGCQCFKSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000423405792 354174412 /nfs/dbraw/zinc/17/44/12/354174412.db2.gz ZRQSRZWIQGBGCD-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)C[C@@H]1C ZINC000423390648 354174888 /nfs/dbraw/zinc/17/48/88/354174888.db2.gz OTMSLVIWBFPWDH-ZFWWWQNUSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)C[C@@H]1C ZINC000423390648 354174891 /nfs/dbraw/zinc/17/48/91/354174891.db2.gz OTMSLVIWBFPWDH-ZFWWWQNUSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000422044307 354141902 /nfs/dbraw/zinc/14/19/02/354141902.db2.gz XLPBOUBCFYIDJG-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000422044307 354141903 /nfs/dbraw/zinc/14/19/03/354141903.db2.gz XLPBOUBCFYIDJG-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000422044307 354141905 /nfs/dbraw/zinc/14/19/05/354141905.db2.gz XLPBOUBCFYIDJG-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422639352 354150229 /nfs/dbraw/zinc/15/02/29/354150229.db2.gz SODJLVVADLHCLJ-SRVKXCTJSA-N 2 1 285.388 -0.029 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422639352 354150232 /nfs/dbraw/zinc/15/02/32/354150232.db2.gz SODJLVVADLHCLJ-SRVKXCTJSA-N 2 1 285.388 -0.029 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000422776430 354154776 /nfs/dbraw/zinc/15/47/76/354154776.db2.gz ANPUQZQOJCUZLK-RYUDHWBXSA-N 2 1 255.362 -0.036 20 0 CBADMP COCC[N@H+](C)CCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422903549 354157459 /nfs/dbraw/zinc/15/74/59/354157459.db2.gz FPCLLCHNPNIDGE-KGLIPLIRSA-N 2 1 271.405 -0.079 20 0 CBADMP COCC[N@@H+](C)CCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422903549 354157462 /nfs/dbraw/zinc/15/74/62/354157462.db2.gz FPCLLCHNPNIDGE-KGLIPLIRSA-N 2 1 271.405 -0.079 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000422974696 354158374 /nfs/dbraw/zinc/15/83/74/354158374.db2.gz RSYLASQDCPUNKG-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422972969 354158884 /nfs/dbraw/zinc/15/88/84/354158884.db2.gz NGGHTXUTYKNGRG-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423012972 354160631 /nfs/dbraw/zinc/16/06/31/354160631.db2.gz LRVVAFJOFNYPFN-CHWSQXEVSA-N 2 1 296.415 -0.408 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423074469 354162664 /nfs/dbraw/zinc/16/26/64/354162664.db2.gz UTOFTTOUECIDAQ-LBPRGKRZSA-N 2 1 282.388 -0.510 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C1 ZINC000423523858 354178667 /nfs/dbraw/zinc/17/86/67/354178667.db2.gz NUOPJLLUKYQBFO-LLVKDONJSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423517591 354178713 /nfs/dbraw/zinc/17/87/13/354178713.db2.gz IAADHCWYUWJQNQ-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423573796 354180661 /nfs/dbraw/zinc/18/06/61/354180661.db2.gz ZPWBOSKPVKQIJD-XQQFMLRXSA-N 2 1 294.399 -0.369 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000423601203 354182763 /nfs/dbraw/zinc/18/27/63/354182763.db2.gz ZWESUAHADDSJLN-XQQFMLRXSA-N 2 1 296.415 -0.252 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000423601203 354182767 /nfs/dbraw/zinc/18/27/67/354182767.db2.gz ZWESUAHADDSJLN-XQQFMLRXSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000423611650 354184712 /nfs/dbraw/zinc/18/47/12/354184712.db2.gz SLRQSQKBLBUBOY-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423624949 354185841 /nfs/dbraw/zinc/18/58/41/354185841.db2.gz QKMKVVSKKMEWLM-CYBMUJFWSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)[C@H](C)CN1 ZINC000423634288 354186257 /nfs/dbraw/zinc/18/62/57/354186257.db2.gz QMJJOZTUZNVHJG-LPWJVIDDSA-N 2 1 296.415 -0.254 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000423632902 354186293 /nfs/dbraw/zinc/18/62/93/354186293.db2.gz AJKYJHGQXMWOFB-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC[NH2+]1 ZINC000423694534 354192293 /nfs/dbraw/zinc/19/22/93/354192293.db2.gz GERLXOCMQBMGNP-DOMZBBRYSA-N 2 1 294.399 -0.639 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423724190 354194085 /nfs/dbraw/zinc/19/40/85/354194085.db2.gz MIAPSNBEOULSHM-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423718713 354194199 /nfs/dbraw/zinc/19/41/99/354194199.db2.gz DIDWLVTWTZSOTR-LBPRGKRZSA-N 2 1 298.431 -0.018 20 0 CBADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C1 ZINC000423729265 354194706 /nfs/dbraw/zinc/19/47/06/354194706.db2.gz UZEBNCUZLCLIOC-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423731183 354195043 /nfs/dbraw/zinc/19/50/43/354195043.db2.gz YPKWFDPZFCBNMH-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000423782188 354199392 /nfs/dbraw/zinc/19/93/92/354199392.db2.gz INLYXEVMQIBHBJ-VXGBXAGGSA-N 2 1 283.372 -0.308 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000423861933 354201436 /nfs/dbraw/zinc/20/14/36/354201436.db2.gz RCAXYNQYJOVJLY-RYUDHWBXSA-N 2 1 285.388 -0.062 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000423861933 354201437 /nfs/dbraw/zinc/20/14/37/354201437.db2.gz RCAXYNQYJOVJLY-RYUDHWBXSA-N 2 1 285.388 -0.062 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000423859864 354202229 /nfs/dbraw/zinc/20/22/29/354202229.db2.gz KGMNFPLMVHAYNM-WDEREUQCSA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000423859864 354202231 /nfs/dbraw/zinc/20/22/31/354202231.db2.gz KGMNFPLMVHAYNM-WDEREUQCSA-N 2 1 271.361 -0.323 20 0 CBADMP C[NH2+]CCC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000423858563 354202275 /nfs/dbraw/zinc/20/22/75/354202275.db2.gz CPYCWKNBPQSJNB-LLVKDONJSA-N 2 1 271.361 -0.308 20 0 CBADMP C[NH2+]CCC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000423858563 354202279 /nfs/dbraw/zinc/20/22/79/354202279.db2.gz CPYCWKNBPQSJNB-LLVKDONJSA-N 2 1 271.361 -0.308 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)COC2C[NH2+]C2)C[C@@H]1C ZINC000423888030 354204462 /nfs/dbraw/zinc/20/44/62/354204462.db2.gz GZENWAUHPRGPEL-NSHDSACASA-N 2 1 299.371 -0.929 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)COC2C[NH2+]C2)C[C@@H]1C ZINC000423888030 354204464 /nfs/dbraw/zinc/20/44/64/354204464.db2.gz GZENWAUHPRGPEL-NSHDSACASA-N 2 1 299.371 -0.929 20 0 CBADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424158996 354212137 /nfs/dbraw/zinc/21/21/37/354212137.db2.gz RVBADYNYKQOWMB-OLZOCXBDSA-N 2 1 268.405 -0.277 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000424169617 354214582 /nfs/dbraw/zinc/21/45/82/354214582.db2.gz JOKJWSAZBWUDSZ-WYUUTHIRSA-N 2 1 255.362 -0.003 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000424174610 354215287 /nfs/dbraw/zinc/21/52/87/354215287.db2.gz MUYMZIYFTUNQPP-PRJMDXOYSA-N 2 1 251.277 -0.538 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000424180998 354215463 /nfs/dbraw/zinc/21/54/63/354215463.db2.gz QJIVFXSCVFRVQS-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423517004 354178497 /nfs/dbraw/zinc/17/84/97/354178497.db2.gz HKNLNFIJGOLOPU-UHFFFAOYSA-N 2 1 298.431 -0.018 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(=O)n(C)c1=O ZINC000427132129 354244864 /nfs/dbraw/zinc/24/48/64/354244864.db2.gz ZHEQZCBNCTUWFW-JQWIXIFHSA-N 2 1 278.356 -0.732 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(=O)n(C)c1=O ZINC000427132129 354244866 /nfs/dbraw/zinc/24/48/66/354244866.db2.gz ZHEQZCBNCTUWFW-JQWIXIFHSA-N 2 1 278.356 -0.732 20 0 CBADMP CC[NH2+]CC1CC[NH+](CC(=O)N[C@H](C)C(=O)N(C)C)CC1 ZINC000430561883 354249523 /nfs/dbraw/zinc/24/95/23/354249523.db2.gz OSFOBHFJFUDHPX-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP O=C(COC1C[NH2+]C1)NCC[NH+]1CCSCC1 ZINC000430692885 354250846 /nfs/dbraw/zinc/25/08/46/354250846.db2.gz WZCNFJOFZDGWEG-UHFFFAOYSA-N 2 1 259.375 -0.860 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430950864 354251351 /nfs/dbraw/zinc/25/13/51/354251351.db2.gz JIVJRYHAORYHSP-WCQYABFASA-N 2 1 282.388 -0.654 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430950864 354251355 /nfs/dbraw/zinc/25/13/55/354251355.db2.gz JIVJRYHAORYHSP-WCQYABFASA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000431032842 354251401 /nfs/dbraw/zinc/25/14/01/354251401.db2.gz FBWGJPMIAHJGCB-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)CN1CC[NH+](C)CC1 ZINC000431016188 354251538 /nfs/dbraw/zinc/25/15/38/354251538.db2.gz YVUMLOZCEFMTFX-KGLIPLIRSA-N 2 1 298.431 -0.635 20 0 CBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000430947984 354251819 /nfs/dbraw/zinc/25/18/19/354251819.db2.gz GQULCHLUKGJTNH-OLZOCXBDSA-N 2 1 282.388 -0.606 20 0 CBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000430947984 354251821 /nfs/dbraw/zinc/25/18/21/354251821.db2.gz GQULCHLUKGJTNH-OLZOCXBDSA-N 2 1 282.388 -0.606 20 0 CBADMP CN(C(=O)[C@H]1C[C@H](O)C[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000432510039 354252587 /nfs/dbraw/zinc/25/25/87/354252587.db2.gz BALMCPJXMAADGJ-SDDRHHMPSA-N 2 1 253.346 -0.596 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444174532 354263476 /nfs/dbraw/zinc/26/34/76/354263476.db2.gz HDDRIJNSMANZCX-HUBLWGQQSA-N 2 1 294.399 -0.558 20 0 CBADMP COC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCOCC1 ZINC000446820193 354291167 /nfs/dbraw/zinc/29/11/67/354291167.db2.gz ZNUWJPHTSYZVDT-CHWSQXEVSA-N 2 1 260.378 -0.060 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000447436880 354298871 /nfs/dbraw/zinc/29/88/71/354298871.db2.gz AYHYGWBHUOGZIF-VXGBXAGGSA-N 2 1 273.377 -0.423 20 0 CBADMP CN1CC[C@H]2C[N@H+]([C@H]3CC(=O)N(CC[NH+](C)C)C3=O)C[C@H]21 ZINC000448555560 354315905 /nfs/dbraw/zinc/31/59/05/354315905.db2.gz MQHWWQOQPDUFNI-RWMBFGLXSA-N 2 1 294.399 -0.689 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H](N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C1=O ZINC000448555560 354315906 /nfs/dbraw/zinc/31/59/06/354315906.db2.gz MQHWWQOQPDUFNI-RWMBFGLXSA-N 2 1 294.399 -0.689 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H](N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C1=O ZINC000448555560 354315907 /nfs/dbraw/zinc/31/59/07/354315907.db2.gz MQHWWQOQPDUFNI-RWMBFGLXSA-N 2 1 294.399 -0.689 20 0 CBADMP CCC[NH2+][C@@H](C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000449321234 354319970 /nfs/dbraw/zinc/31/99/70/354319970.db2.gz RPBJVSWCLREMDN-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000449658926 354321113 /nfs/dbraw/zinc/32/11/13/354321113.db2.gz ABABMQNICZGGDD-VHSXEESVSA-N 2 1 277.315 -0.180 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000449658926 354321114 /nfs/dbraw/zinc/32/11/14/354321114.db2.gz ABABMQNICZGGDD-VHSXEESVSA-N 2 1 277.315 -0.180 20 0 CBADMP CC[C@@H](CO)[N@@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000451161446 354334208 /nfs/dbraw/zinc/33/42/08/354334208.db2.gz YNRHMQRHODMYNR-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[C@@H](CO)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000451161446 354334212 /nfs/dbraw/zinc/33/42/12/354334212.db2.gz YNRHMQRHODMYNR-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[C@@H](CO)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000451161446 354334215 /nfs/dbraw/zinc/33/42/15/354334215.db2.gz YNRHMQRHODMYNR-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@@H]1C[C@H](O)C[NH+](CC(O)C[N@@H+]2C[C@H](C)C[C@H](O)C2)C1 ZINC000452065680 354346646 /nfs/dbraw/zinc/34/66/46/354346646.db2.gz DGFXUOYPYBJJPC-MQYQWHSLSA-N 2 1 286.416 -0.247 20 0 CBADMP C[C@@H]1C[C@H](O)C[NH+](CC(O)C[N@H+]2C[C@H](C)C[C@H](O)C2)C1 ZINC000452065680 354346649 /nfs/dbraw/zinc/34/66/49/354346649.db2.gz DGFXUOYPYBJJPC-MQYQWHSLSA-N 2 1 286.416 -0.247 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)C[C@@H]21 ZINC000452968403 354353252 /nfs/dbraw/zinc/35/32/52/354353252.db2.gz BSSBXQZLODOQBF-RDBSUJKOSA-N 2 1 278.400 -0.461 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C[C@@H]21 ZINC000452968403 354353254 /nfs/dbraw/zinc/35/32/54/354353254.db2.gz BSSBXQZLODOQBF-RDBSUJKOSA-N 2 1 278.400 -0.461 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)C[C@@H]21 ZINC000452968403 354353257 /nfs/dbraw/zinc/35/32/57/354353257.db2.gz BSSBXQZLODOQBF-RDBSUJKOSA-N 2 1 278.400 -0.461 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000459891735 354392360 /nfs/dbraw/zinc/39/23/60/354392360.db2.gz BMTHRSZAFAVVQG-UHFFFAOYSA-N 2 1 296.415 -0.297 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)CC[N@@H+]1C ZINC000459895195 354392674 /nfs/dbraw/zinc/39/26/74/354392674.db2.gz KDSFXAILWIYYEL-ZDUSSCGKSA-N 2 1 298.431 -0.195 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)CC[N@H+]1C ZINC000459895195 354392677 /nfs/dbraw/zinc/39/26/77/354392677.db2.gz KDSFXAILWIYYEL-ZDUSSCGKSA-N 2 1 298.431 -0.195 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000459904342 354392815 /nfs/dbraw/zinc/39/28/15/354392815.db2.gz ZYZREJHGIQGCJS-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](CNC(=O)NCCC[NH+]1CCOCC1)[NH+](C)C ZINC000457408026 354370987 /nfs/dbraw/zinc/37/09/87/354370987.db2.gz UGNBQEVPXKTEPC-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000457662555 354372115 /nfs/dbraw/zinc/37/21/15/354372115.db2.gz HUGUTNCCTZXMTF-LBPRGKRZSA-N 2 1 299.419 -0.600 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000487453777 354415588 /nfs/dbraw/zinc/41/55/88/354415588.db2.gz TXCMIEWESGZUMS-AGIUHOORSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000487453777 354415590 /nfs/dbraw/zinc/41/55/90/354415590.db2.gz TXCMIEWESGZUMS-AGIUHOORSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000487453777 354415593 /nfs/dbraw/zinc/41/55/93/354415593.db2.gz TXCMIEWESGZUMS-AGIUHOORSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000487453777 354415597 /nfs/dbraw/zinc/41/55/97/354415597.db2.gz TXCMIEWESGZUMS-AGIUHOORSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000487453777 354415601 /nfs/dbraw/zinc/41/56/01/354415601.db2.gz TXCMIEWESGZUMS-AGIUHOORSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)/C=C/C[NH+](C)C ZINC000491909163 354462137 /nfs/dbraw/zinc/46/21/37/354462137.db2.gz WNPHCLYUJRHCTH-URWSZGRFSA-N 2 1 268.405 -0.144 20 0 CBADMP C[C@@H]1CN(C(=O)/C=C\C[NH+](C)C)CC[N@@H+]1CCO ZINC000492750016 354480092 /nfs/dbraw/zinc/48/00/92/354480092.db2.gz IEABRDOPNYGZEI-QMAVJUDZSA-N 2 1 255.362 -0.371 20 0 CBADMP C[C@@H]1CN(C(=O)/C=C\C[NH+](C)C)CC[N@H+]1CCO ZINC000492750016 354480093 /nfs/dbraw/zinc/48/00/93/354480093.db2.gz IEABRDOPNYGZEI-QMAVJUDZSA-N 2 1 255.362 -0.371 20 0 CBADMP C[C@H]1CN(C(=O)/C=C/C[NH+](C)C)CC[N@@H+]1CCO ZINC000492750015 354480219 /nfs/dbraw/zinc/48/02/19/354480219.db2.gz IEABRDOPNYGZEI-ITKZLYELSA-N 2 1 255.362 -0.371 20 0 CBADMP C[C@H]1CN(C(=O)/C=C/C[NH+](C)C)CC[N@H+]1CCO ZINC000492750015 354480221 /nfs/dbraw/zinc/48/02/21/354480221.db2.gz IEABRDOPNYGZEI-ITKZLYELSA-N 2 1 255.362 -0.371 20 0 CBADMP C[C@@H](C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000514864101 354555970 /nfs/dbraw/zinc/55/59/70/354555970.db2.gz QTROHFBGGDLHLM-GXTWGEPZSA-N 2 1 280.416 -0.025 20 0 CBADMP CNc1ncnc2c1cnn2C[C@H](O)C[N@@H+](C)CCOC ZINC000519424824 354561404 /nfs/dbraw/zinc/56/14/04/354561404.db2.gz BVPRPIAHBGTVMB-SNVBAGLBSA-N 2 1 294.359 -0.193 20 0 CBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CNC(=O)C[NH3+])C1 ZINC000519540886 354562528 /nfs/dbraw/zinc/56/25/28/354562528.db2.gz MJUWUEPMNWZNAY-MNOVXSKESA-N 2 1 268.361 -0.996 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000519546418 354562637 /nfs/dbraw/zinc/56/26/37/354562637.db2.gz UFVMIKUAAAXPBC-TXEJJXNPSA-N 2 1 255.362 -0.096 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535715297 354602684 /nfs/dbraw/zinc/60/26/84/354602684.db2.gz JXPLZVLJNYBKRU-ZFWWWQNUSA-N 2 1 292.427 -0.023 20 0 CBADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000535715297 354602685 /nfs/dbraw/zinc/60/26/85/354602685.db2.gz JXPLZVLJNYBKRU-ZFWWWQNUSA-N 2 1 292.427 -0.023 20 0 CBADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000535715297 354602686 /nfs/dbraw/zinc/60/26/86/354602686.db2.gz JXPLZVLJNYBKRU-ZFWWWQNUSA-N 2 1 292.427 -0.023 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C[N@H+]1C1CC1 ZINC000529316829 354584847 /nfs/dbraw/zinc/58/48/47/354584847.db2.gz PLMSZLLITFHQKN-IJLUTSLNSA-N 2 1 282.388 -0.101 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)C[N@H+]1C1CC1 ZINC000547298841 354657778 /nfs/dbraw/zinc/65/77/78/354657778.db2.gz UIQAAZQWMFXYEH-XUJVJEKNSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C[NH+]1C1CC1 ZINC000547298841 354657779 /nfs/dbraw/zinc/65/77/79/354657779.db2.gz UIQAAZQWMFXYEH-XUJVJEKNSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C[NH+]1C1CC1 ZINC000547298841 354657781 /nfs/dbraw/zinc/65/77/81/354657781.db2.gz UIQAAZQWMFXYEH-XUJVJEKNSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)C[N@H+]1C1CC1 ZINC000547298839 354657828 /nfs/dbraw/zinc/65/78/28/354657828.db2.gz UIQAAZQWMFXYEH-LALPHHSUSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)C[NH+]1C1CC1 ZINC000547298839 354657829 /nfs/dbraw/zinc/65/78/29/354657829.db2.gz UIQAAZQWMFXYEH-LALPHHSUSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C[NH+]1C1CC1 ZINC000547298839 354657830 /nfs/dbraw/zinc/65/78/30/354657830.db2.gz UIQAAZQWMFXYEH-LALPHHSUSA-N 2 1 296.415 -0.023 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000537567799 354610285 /nfs/dbraw/zinc/61/02/85/354610285.db2.gz YPAAMQCFTRONAG-KKUMJFAQSA-N 2 1 285.432 -0.049 20 0 CBADMP CC[N@@H+](CCNC(=O)N1CCN(C)C[C@H]1C[NH3+])C1CC1 ZINC000557144662 354685179 /nfs/dbraw/zinc/68/51/79/354685179.db2.gz MXUNGPASBOHCEM-CYBMUJFWSA-N 2 1 283.420 -0.245 20 0 CBADMP CN(C(=O)NC[C@@H]1C[NH2+]CCN1C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000562821206 354688954 /nfs/dbraw/zinc/68/89/54/354688954.db2.gz ZYBBVMFDHMICPM-KBPBESRZSA-N 2 1 295.431 -0.232 20 0 CBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000562957624 354689993 /nfs/dbraw/zinc/68/99/93/354689993.db2.gz LIUZTNRKDRAIAO-LBPRGKRZSA-N 2 1 296.415 -0.121 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000562984459 354690563 /nfs/dbraw/zinc/69/05/63/354690563.db2.gz LJCWDFTYRVTIRH-HOSYDEDBSA-N 2 1 259.325 -0.477 20 0 CBADMP CNC(=O)CN1CCC([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000562986760 354690626 /nfs/dbraw/zinc/69/06/26/354690626.db2.gz BUYRTOWVGJUQGY-CQSZACIVSA-N 2 1 298.431 -0.759 20 0 CBADMP CNC(=O)CN1CCC([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000562986760 354690629 /nfs/dbraw/zinc/69/06/29/354690629.db2.gz BUYRTOWVGJUQGY-CQSZACIVSA-N 2 1 298.431 -0.759 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)COC2C[NH2+]C2)C1 ZINC000563063279 354693287 /nfs/dbraw/zinc/69/32/87/354693287.db2.gz WCFFRHFRRJORQC-LLVKDONJSA-N 2 1 255.362 -0.179 20 0 CBADMP CC1(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[NH2+]C1 ZINC000563048656 354693617 /nfs/dbraw/zinc/69/36/17/354693617.db2.gz XLKOAZGWYBPJGG-LLVKDONJSA-N 2 1 282.388 -0.701 20 0 CBADMP C[C@H](C[NH3+])C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000563083537 354695127 /nfs/dbraw/zinc/69/51/27/354695127.db2.gz PLAVVPMVWJCHCD-GFCCVEGCSA-N 2 1 256.394 -0.323 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000563109498 354697470 /nfs/dbraw/zinc/69/74/70/354697470.db2.gz HFYJELYTIGBBSQ-ZIAGYGMSSA-N 2 1 290.367 -0.067 20 0 CBADMP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000563117009 354697670 /nfs/dbraw/zinc/69/76/70/354697670.db2.gz RGVNITXEABCISX-ZIAGYGMSSA-N 2 1 297.399 -0.266 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000563198269 354701751 /nfs/dbraw/zinc/70/17/51/354701751.db2.gz NEOXQXSRUSPDGZ-NEPJUHHUSA-N 2 1 282.388 -0.687 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)CC[NH2+]C2CC2)CC1 ZINC000563819481 354706118 /nfs/dbraw/zinc/70/61/18/354706118.db2.gz LLWQJDMEJIATCF-UHFFFAOYSA-N 2 1 282.388 -0.591 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000563814372 354706150 /nfs/dbraw/zinc/70/61/50/354706150.db2.gz SXLVHTCZGAREOA-AAEUAGOBSA-N 2 1 255.362 -0.035 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000563888684 354707246 /nfs/dbraw/zinc/70/72/46/354707246.db2.gz RLKNHYNVBDUCDZ-NWDGAFQWSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000563888684 354707248 /nfs/dbraw/zinc/70/72/48/354707248.db2.gz RLKNHYNVBDUCDZ-NWDGAFQWSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000563888687 354707345 /nfs/dbraw/zinc/70/73/45/354707345.db2.gz RLKNHYNVBDUCDZ-VXGBXAGGSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000563888687 354707346 /nfs/dbraw/zinc/70/73/46/354707346.db2.gz RLKNHYNVBDUCDZ-VXGBXAGGSA-N 2 1 283.372 -0.308 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000564659607 354715141 /nfs/dbraw/zinc/71/51/41/354715141.db2.gz ZIKLIAKQBCNYAK-AWEZNQCLSA-N 2 1 282.388 -0.591 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000564732995 354715979 /nfs/dbraw/zinc/71/59/79/354715979.db2.gz KFHJBQMUDYDSPO-DZGCQCFKSA-N 3 1 298.431 -0.899 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000564732998 354715984 /nfs/dbraw/zinc/71/59/84/354715984.db2.gz KFHJBQMUDYDSPO-ZFWWWQNUSA-N 3 1 298.431 -0.899 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000565040792 354726361 /nfs/dbraw/zinc/72/63/61/354726361.db2.gz XVWFWDALVORDQE-CHWSQXEVSA-N 2 1 296.415 -0.297 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000556359155 354679093 /nfs/dbraw/zinc/67/90/93/354679093.db2.gz AAZXDGOJHDEZPC-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000556359155 354679095 /nfs/dbraw/zinc/67/90/95/354679095.db2.gz AAZXDGOJHDEZPC-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000556359155 354679097 /nfs/dbraw/zinc/67/90/97/354679097.db2.gz AAZXDGOJHDEZPC-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000556359155 354679099 /nfs/dbraw/zinc/67/90/99/354679099.db2.gz AAZXDGOJHDEZPC-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000566053046 354751935 /nfs/dbraw/zinc/75/19/35/354751935.db2.gz WGKCJBQWDGAWAN-IHRRRGAJSA-N 2 1 298.431 -0.854 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)COC1CCC([NH3+])CC1 ZINC000566157753 354754565 /nfs/dbraw/zinc/75/45/65/354754565.db2.gz UKRSXEYCMOKMGB-UHFFFAOYSA-N 2 1 287.404 -0.033 20 0 CBADMP [NH3+]C[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000566244670 354759135 /nfs/dbraw/zinc/75/91/35/354759135.db2.gz OSWTYHNXNXURKD-LBPRGKRZSA-N 3 1 254.378 -0.521 20 0 CBADMP [NH3+]C[C@@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000566244670 354759137 /nfs/dbraw/zinc/75/91/37/354759137.db2.gz OSWTYHNXNXURKD-LBPRGKRZSA-N 2 1 254.378 -0.521 20 0 CBADMP [NH3+]C[C@@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000566244670 354759138 /nfs/dbraw/zinc/75/91/38/354759138.db2.gz OSWTYHNXNXURKD-LBPRGKRZSA-N 2 1 254.378 -0.521 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)C1CCOCC1)C1CC1 ZINC000566235730 354759247 /nfs/dbraw/zinc/75/92/47/354759247.db2.gz VLEWHHASXFLQEB-UONOGXRCSA-N 2 1 272.389 -0.181 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)C1CCOCC1)C1CC1 ZINC000566235730 354759249 /nfs/dbraw/zinc/75/92/49/354759249.db2.gz VLEWHHASXFLQEB-UONOGXRCSA-N 2 1 272.389 -0.181 20 0 CBADMP C[C@@H](C(=O)N[C@H](C[NH3+])C1CC1)N1CC[NH+](C)CC1 ZINC000566246909 354759960 /nfs/dbraw/zinc/75/99/60/354759960.db2.gz RJQWECAPUMAOKM-CMPLNLGQSA-N 2 1 254.378 -0.524 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000566510016 354770168 /nfs/dbraw/zinc/77/01/68/354770168.db2.gz ZIOKEEBWPUHPFM-RYUDHWBXSA-N 2 1 270.377 -0.506 20 0 CBADMP COC[C@H](O)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000566620231 354771680 /nfs/dbraw/zinc/77/16/80/354771680.db2.gz TUBPSHUDIKMZSN-CHWSQXEVSA-N 2 1 260.378 -0.180 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000566621563 354772084 /nfs/dbraw/zinc/77/20/84/354772084.db2.gz GSQGPLGSJTZPNL-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000567096268 354780644 /nfs/dbraw/zinc/78/06/44/354780644.db2.gz LESFQKBCMYEMDS-XBFCOCLRSA-N 2 1 295.431 -0.247 20 0 CBADMP [NH3+][C@@H]1C[C@@H]1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000567102874 354780691 /nfs/dbraw/zinc/78/06/91/354780691.db2.gz DIUCWBWJPMTABN-IFWUJCSASA-N 2 1 266.389 -0.334 20 0 CBADMP C[C@]1(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1 ZINC000567110362 354781619 /nfs/dbraw/zinc/78/16/19/354781619.db2.gz AROPHKQOHBZBJK-OCCSQVGLSA-N 3 1 268.405 -0.227 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[NH2+]C1CC1 ZINC000567231601 354783271 /nfs/dbraw/zinc/78/32/71/354783271.db2.gz HOILWAVZRJROED-LLVKDONJSA-N 2 1 268.361 -0.806 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CC[NH2+]C1CC1 ZINC000567248507 354784185 /nfs/dbraw/zinc/78/41/85/354784185.db2.gz FMCHGSKSWFKALC-GFCCVEGCSA-N 2 1 282.388 -0.416 20 0 CBADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC[N@@H+]1CC=CCC1 ZINC000567468942 354788886 /nfs/dbraw/zinc/78/88/86/354788886.db2.gz IECWWAPQVJOVHP-ZDUSSCGKSA-N 2 1 294.399 -0.377 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000565255783 354735181 /nfs/dbraw/zinc/73/51/81/354735181.db2.gz UPHVZUMVDOKGGB-SDDRHHMPSA-N 2 1 280.372 -0.983 20 0 CBADMP C[C@@H]([NH2+]C1CC1)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000565301056 354735550 /nfs/dbraw/zinc/73/55/50/354735550.db2.gz KKCJLCFUFQPCPF-LLVKDONJSA-N 2 1 296.415 -0.204 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000565306985 354736526 /nfs/dbraw/zinc/73/65/26/354736526.db2.gz GDQZOHXHRDYMDS-ZDUSSCGKSA-N 2 1 272.389 -0.180 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000565420501 354737748 /nfs/dbraw/zinc/73/77/48/354737748.db2.gz KBIWLZOFKCSFKA-QMMMGPOBSA-N 2 1 251.277 -0.535 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000565542691 354740694 /nfs/dbraw/zinc/74/06/94/354740694.db2.gz FQKZIOCILMQJJN-MNOVXSKESA-N 2 1 271.361 -0.323 20 0 CBADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000565599313 354742235 /nfs/dbraw/zinc/74/22/35/354742235.db2.gz YSTHXGJUQKBDCN-ZDUSSCGKSA-N 3 1 268.405 -0.260 20 0 CBADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000565655423 354742856 /nfs/dbraw/zinc/74/28/56/354742856.db2.gz ZUJJNPLSGRDDBQ-NEPJUHHUSA-N 2 1 299.419 -0.425 20 0 CBADMP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)[C@@H]2C1 ZINC000567582940 354790486 /nfs/dbraw/zinc/79/04/86/354790486.db2.gz DYVIFITXOVVMIH-ZNMIVQPWSA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)[C@@H]2C1 ZINC000567582940 354790488 /nfs/dbraw/zinc/79/04/88/354790488.db2.gz DYVIFITXOVVMIH-ZNMIVQPWSA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)[C@@H]2C1 ZINC000567582940 354790491 /nfs/dbraw/zinc/79/04/91/354790491.db2.gz DYVIFITXOVVMIH-ZNMIVQPWSA-N 2 1 292.427 -0.071 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000568866255 354834282 /nfs/dbraw/zinc/83/42/82/354834282.db2.gz GLPVHJQWXWAMJU-NWDGAFQWSA-N 2 1 283.372 -0.451 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000568866255 354834284 /nfs/dbraw/zinc/83/42/84/354834284.db2.gz GLPVHJQWXWAMJU-NWDGAFQWSA-N 2 1 283.372 -0.451 20 0 CBADMP CC[C@@H]([NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000567819112 354799036 /nfs/dbraw/zinc/79/90/36/354799036.db2.gz RESYYQGGGOKQBJ-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000567838852 354800965 /nfs/dbraw/zinc/80/09/65/354800965.db2.gz XEIQKJZDJLVKQZ-QWRGUYRKSA-N 2 1 251.334 -0.451 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000567913341 354805451 /nfs/dbraw/zinc/80/54/51/354805451.db2.gz DBVQZZYLGLAYQD-AAEUAGOBSA-N 2 1 288.367 -0.754 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000568866256 354833778 /nfs/dbraw/zinc/83/37/78/354833778.db2.gz GLPVHJQWXWAMJU-RYUDHWBXSA-N 2 1 283.372 -0.451 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000568866256 354833782 /nfs/dbraw/zinc/83/37/82/354833782.db2.gz GLPVHJQWXWAMJU-RYUDHWBXSA-N 2 1 283.372 -0.451 20 0 CBADMP [NH3+]CCCn1cc(C(=O)NCCC[NH+]2CCOCC2)nn1 ZINC000568504127 354825430 /nfs/dbraw/zinc/82/54/30/354825430.db2.gz CUMMGFUCLOEFMO-UHFFFAOYSA-N 2 1 296.375 -0.921 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000567735447 354795564 /nfs/dbraw/zinc/79/55/64/354795564.db2.gz GUFIXCUYZGBBHD-CQSZACIVSA-N 2 1 283.372 -0.307 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000567735446 354795698 /nfs/dbraw/zinc/79/56/98/354795698.db2.gz GUFIXCUYZGBBHD-AWEZNQCLSA-N 2 1 283.372 -0.307 20 0 CBADMP [NH3+]CCCn1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)nn1 ZINC000567772287 354796595 /nfs/dbraw/zinc/79/65/95/354796595.db2.gz QOKNBXWPLRXFFB-JTQLQIEISA-N 2 1 278.360 -0.407 20 0 CBADMP C[C@H]1CN(CCNC(=O)CC(F)(F)C[NH3+])CCO1 ZINC000570811667 354869428 /nfs/dbraw/zinc/86/94/28/354869428.db2.gz BJNBCVGSQCFNDF-VIFPVBQESA-N 2 1 265.304 -0.193 20 0 CBADMP C[C@@H]1CN(CCNC(=O)CC(F)(F)C[NH3+])CCO1 ZINC000570811666 354869515 /nfs/dbraw/zinc/86/95/15/354869515.db2.gz BJNBCVGSQCFNDF-SECBINFHSA-N 2 1 265.304 -0.193 20 0 CBADMP CN(C[C@@H](O)C[NH2+][C@@H](CO)Cc1cnn(C)c1)C1CC1 ZINC000570803387 354869603 /nfs/dbraw/zinc/86/96/03/354869603.db2.gz QMPGCQHSECWZAI-OCCSQVGLSA-N 2 1 282.388 -0.632 20 0 CBADMP CNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000570928669 354872493 /nfs/dbraw/zinc/87/24/93/354872493.db2.gz SGXVXYXGVNZQIY-SNVBAGLBSA-N 2 1 256.350 -0.948 20 0 CBADMP CNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000570928669 354872496 /nfs/dbraw/zinc/87/24/96/354872496.db2.gz SGXVXYXGVNZQIY-SNVBAGLBSA-N 2 1 256.350 -0.948 20 0 CBADMP C[N@@H+]1CC[C@@H]2OCCN(C(=O)CC(F)(F)C[NH3+])[C@@H]2C1 ZINC000568894393 354834652 /nfs/dbraw/zinc/83/46/52/354834652.db2.gz RGKINNBCGSGGMP-ZJUUUORDSA-N 2 1 277.315 -0.098 20 0 CBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)CC(F)(F)C[NH3+])[C@@H]2C1 ZINC000568894393 354834655 /nfs/dbraw/zinc/83/46/55/354834655.db2.gz RGKINNBCGSGGMP-ZJUUUORDSA-N 2 1 277.315 -0.098 20 0 CBADMP C[N@@H+]1CC[C@H]2OCCN(C(=O)CC(F)(F)C[NH3+])[C@@H]2C1 ZINC000568894387 354835014 /nfs/dbraw/zinc/83/50/14/354835014.db2.gz RGKINNBCGSGGMP-NXEZZACHSA-N 2 1 277.315 -0.098 20 0 CBADMP C[N@H+]1CC[C@H]2OCCN(C(=O)CC(F)(F)C[NH3+])[C@@H]2C1 ZINC000568894387 354835017 /nfs/dbraw/zinc/83/50/17/354835017.db2.gz RGKINNBCGSGGMP-NXEZZACHSA-N 2 1 277.315 -0.098 20 0 CBADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1(CN)CCC1 ZINC000569002593 354836842 /nfs/dbraw/zinc/83/68/42/354836842.db2.gz DWXZMBSZZZUQAA-GFCCVEGCSA-N 2 1 268.405 -0.003 20 0 CBADMP CN(C[C@H]1CCCN(C(=O)C[NH3+])C1)C1(C[NH3+])CCC1 ZINC000569002593 354836846 /nfs/dbraw/zinc/83/68/46/354836846.db2.gz DWXZMBSZZZUQAA-GFCCVEGCSA-N 2 1 268.405 -0.003 20 0 CBADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1(CN)CCC1 ZINC000569002594 354837513 /nfs/dbraw/zinc/83/75/13/354837513.db2.gz DWXZMBSZZZUQAA-LBPRGKRZSA-N 2 1 268.405 -0.003 20 0 CBADMP CN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1(C[NH3+])CCC1 ZINC000569002594 354837515 /nfs/dbraw/zinc/83/75/15/354837515.db2.gz DWXZMBSZZZUQAA-LBPRGKRZSA-N 2 1 268.405 -0.003 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000569101590 354838542 /nfs/dbraw/zinc/83/85/42/354838542.db2.gz ZKSAKUJTCYOVKU-MIMYLULJSA-N 2 1 269.345 -0.524 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000569101590 354838545 /nfs/dbraw/zinc/83/85/45/354838545.db2.gz ZKSAKUJTCYOVKU-MIMYLULJSA-N 2 1 269.345 -0.524 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000569697516 354843936 /nfs/dbraw/zinc/84/39/36/354843936.db2.gz QMANXJDMEIGDLR-RISCZKNCSA-N 2 1 280.372 -0.981 20 0 CBADMP CCOC[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000569960520 354850598 /nfs/dbraw/zinc/85/05/98/354850598.db2.gz KQPQTRHSJJFPGF-CHWSQXEVSA-N 2 1 287.404 -0.439 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000569967542 354851417 /nfs/dbraw/zinc/85/14/17/354851417.db2.gz UGPXHNUOUBKZGT-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CN(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000570147559 354855924 /nfs/dbraw/zinc/85/59/24/354855924.db2.gz LPKZFEKSDIZYIX-XBFCOCLRSA-N 2 1 296.415 -0.023 20 0 CBADMP CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000571755556 354878923 /nfs/dbraw/zinc/87/89/23/354878923.db2.gz HAWRIJDGOZIRPR-PWSUYJOCSA-N 2 1 293.433 -0.641 20 0 CBADMP CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000571755556 354878924 /nfs/dbraw/zinc/87/89/24/354878924.db2.gz HAWRIJDGOZIRPR-PWSUYJOCSA-N 2 1 293.433 -0.641 20 0 CBADMP CN(C)C(=O)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1 ZINC000570332974 354859771 /nfs/dbraw/zinc/85/97/71/354859771.db2.gz FUJAZFANRMJHGV-GFCCVEGCSA-N 2 1 254.378 -0.652 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000570461775 354862997 /nfs/dbraw/zinc/86/29/97/354862997.db2.gz UUGAXUANRCKYEM-OLZOCXBDSA-N 2 1 299.415 -0.284 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000570461775 354863000 /nfs/dbraw/zinc/86/30/00/354863000.db2.gz UUGAXUANRCKYEM-OLZOCXBDSA-N 2 1 299.415 -0.284 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000571891138 354883300 /nfs/dbraw/zinc/88/33/00/354883300.db2.gz LRQXSXSLJMYRSM-RKDXNWHRSA-N 2 1 263.288 -0.440 20 0 CBADMP [NH3+][C@H]1C[C@@H]2CN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000571938292 354883754 /nfs/dbraw/zinc/88/37/54/354883754.db2.gz ABRPJDFAQBCMLD-MQYQWHSLSA-N 2 1 294.399 -0.907 20 0 CBADMP [NH3+][C@H]1C[C@@H]2CN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000571938292 354883758 /nfs/dbraw/zinc/88/37/58/354883758.db2.gz ABRPJDFAQBCMLD-MQYQWHSLSA-N 2 1 294.399 -0.907 20 0 CBADMP O[C@H]1COCC[NH+](CCCC[N@@H+]2CCOC[C@H](O)C2)C1 ZINC000572031158 354885282 /nfs/dbraw/zinc/88/52/82/354885282.db2.gz DAKYJKMATNOUGX-ZIAGYGMSSA-N 2 1 288.388 -0.847 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000572122991 354887362 /nfs/dbraw/zinc/88/73/62/354887362.db2.gz YSKAJWCCIREASH-WPRPVWTQSA-N 2 1 292.330 -0.849 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C[C@@H](C)O)C[C@H]1C ZINC000572254787 354889032 /nfs/dbraw/zinc/88/90/32/354889032.db2.gz ZGKSXKMKRCQTNS-MCIONIFRSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000572254787 354889033 /nfs/dbraw/zinc/88/90/33/354889033.db2.gz ZGKSXKMKRCQTNS-MCIONIFRSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000572254787 354889034 /nfs/dbraw/zinc/88/90/34/354889034.db2.gz ZGKSXKMKRCQTNS-MCIONIFRSA-N 2 1 273.421 -0.314 20 0 CBADMP C[NH2+][C@@H](C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000572256528 354890577 /nfs/dbraw/zinc/89/05/77/354890577.db2.gz OORQZQFBOBPFLI-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H]1C[C@H](C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[NH2+]1 ZINC000572498227 354893104 /nfs/dbraw/zinc/89/31/04/354893104.db2.gz MJWSVLXZXXXQBK-LPWJVIDDSA-N 3 1 266.389 -0.382 20 0 CBADMP C[C@@H]1C[C@H](C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[NH2+]1 ZINC000572498225 354893640 /nfs/dbraw/zinc/89/36/40/354893640.db2.gz MJWSVLXZXXXQBK-FDYHWXHSSA-N 3 1 266.389 -0.382 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)N(C)C)C1 ZINC000572982204 354902015 /nfs/dbraw/zinc/90/20/15/354902015.db2.gz OFVQGJMFHLNNIY-NWDGAFQWSA-N 2 1 257.378 -0.291 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)N(C)C)C1 ZINC000572982204 354902016 /nfs/dbraw/zinc/90/20/16/354902016.db2.gz OFVQGJMFHLNNIY-NWDGAFQWSA-N 2 1 257.378 -0.291 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000572982204 354902018 /nfs/dbraw/zinc/90/20/18/354902018.db2.gz OFVQGJMFHLNNIY-NWDGAFQWSA-N 2 1 257.378 -0.291 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000572982204 354902021 /nfs/dbraw/zinc/90/20/21/354902021.db2.gz OFVQGJMFHLNNIY-NWDGAFQWSA-N 2 1 257.378 -0.291 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CCC(N)=O ZINC000571874836 354882070 /nfs/dbraw/zinc/88/20/70/354882070.db2.gz FOTIFSTZYBDGJF-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CCC(N)=O ZINC000571874836 354882072 /nfs/dbraw/zinc/88/20/72/354882072.db2.gz FOTIFSTZYBDGJF-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000575138775 354934577 /nfs/dbraw/zinc/93/45/77/354934577.db2.gz MLBZBYABJFVJJB-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000578357103 354944660 /nfs/dbraw/zinc/94/46/60/354944660.db2.gz VHVYZOGZHRHMPP-RKDXNWHRSA-N 2 1 265.304 -0.194 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000578357103 354944662 /nfs/dbraw/zinc/94/46/62/354944662.db2.gz VHVYZOGZHRHMPP-RKDXNWHRSA-N 2 1 265.304 -0.194 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000578452271 354946930 /nfs/dbraw/zinc/94/69/30/354946930.db2.gz FUGAHUKLIVABKB-LBPRGKRZSA-N 2 1 256.394 -0.310 20 0 CBADMP CO[C@@H]1CCN(CCC(=O)N2CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC000578867981 354956682 /nfs/dbraw/zinc/95/66/82/354956682.db2.gz JWEXCIQSSSISQJ-ZIAGYGMSSA-N 3 1 298.431 -0.411 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000578988203 354959083 /nfs/dbraw/zinc/95/90/83/354959083.db2.gz RHCDYIDSFMEWRB-WDEREUQCSA-N 2 1 263.407 -0.015 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000578988203 354959086 /nfs/dbraw/zinc/95/90/86/354959086.db2.gz RHCDYIDSFMEWRB-WDEREUQCSA-N 2 1 263.407 -0.015 20 0 CBADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000579828685 354980170 /nfs/dbraw/zinc/98/01/70/354980170.db2.gz JOUBJVHBRUEQIN-VXGBXAGGSA-N 2 1 256.394 -0.264 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000579854963 354981636 /nfs/dbraw/zinc/98/16/36/354981636.db2.gz QIXSOXZNPUSBFZ-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CC[NH+](C)CC1 ZINC000581012799 355003314 /nfs/dbraw/zinc/00/33/14/355003314.db2.gz VPXNITHJOXJSBT-HIFRSBDPSA-N 2 1 280.416 -0.166 20 0 CBADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)Cn2cccn2)CC1(C)C ZINC000580064584 354987214 /nfs/dbraw/zinc/98/72/14/354987214.db2.gz LGFZRIWKBGBNQX-AWEZNQCLSA-N 2 1 295.431 -0.140 20 0 CBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000580098021 354988694 /nfs/dbraw/zinc/98/86/94/354988694.db2.gz WTZBHCZQZJRXMY-AGIUHOORSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000580201230 354990956 /nfs/dbraw/zinc/99/09/56/354990956.db2.gz CJCAJVGODMKEOS-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000580323836 354993876 /nfs/dbraw/zinc/99/38/76/354993876.db2.gz LRAIGPGNUUYBOW-TUAOUCFPSA-N 2 1 271.409 -0.343 20 0 CBADMP [NH3+]CCOCC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000580715033 354996866 /nfs/dbraw/zinc/99/68/66/354996866.db2.gz WODQBTVBCGGTHF-LBPRGKRZSA-N 3 1 257.378 -0.351 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(CC(N)=O)CC1)C1CC1 ZINC000580887863 355000907 /nfs/dbraw/zinc/00/09/07/355000907.db2.gz DHEHUURKJNFEPY-NSHDSACASA-N 2 1 255.362 -0.313 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(CC(N)=O)CC1)C1CC1 ZINC000580887863 355000912 /nfs/dbraw/zinc/00/09/12/355000912.db2.gz DHEHUURKJNFEPY-NSHDSACASA-N 2 1 255.362 -0.313 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000580950117 355001844 /nfs/dbraw/zinc/00/18/44/355001844.db2.gz HJFKNHPHEQLUKT-NSHDSACASA-N 2 1 296.375 -0.923 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000584839836 355040038 /nfs/dbraw/zinc/04/00/38/355040038.db2.gz JJFZBIOQTRCUHA-RYUDHWBXSA-N 2 1 275.418 -0.143 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000584839836 355040040 /nfs/dbraw/zinc/04/00/40/355040040.db2.gz JJFZBIOQTRCUHA-RYUDHWBXSA-N 2 1 275.418 -0.143 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000584871588 355040932 /nfs/dbraw/zinc/04/09/32/355040932.db2.gz HZLLJKPJOVOBFT-SMDDNHRTSA-N 2 1 282.388 -0.411 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000584871588 355040934 /nfs/dbraw/zinc/04/09/34/355040934.db2.gz HZLLJKPJOVOBFT-SMDDNHRTSA-N 2 1 282.388 -0.411 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000584871588 355040935 /nfs/dbraw/zinc/04/09/35/355040935.db2.gz HZLLJKPJOVOBFT-SMDDNHRTSA-N 2 1 282.388 -0.411 20 0 CBADMP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000581365269 355005372 /nfs/dbraw/zinc/00/53/72/355005372.db2.gz KVXYUJROFVDNBB-HOTGVXAUSA-N 3 1 298.475 -0.084 20 0 CBADMP CN1CCN(C[C@@H](O)C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000581365269 355005376 /nfs/dbraw/zinc/00/53/76/355005376.db2.gz KVXYUJROFVDNBB-HOTGVXAUSA-N 2 1 298.475 -0.084 20 0 CBADMP CN1CCN(C[C@@H](O)C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000581365269 355005381 /nfs/dbraw/zinc/00/53/81/355005381.db2.gz KVXYUJROFVDNBB-HOTGVXAUSA-N 2 1 298.475 -0.084 20 0 CBADMP CC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000582237826 355012016 /nfs/dbraw/zinc/01/20/16/355012016.db2.gz AOTGVWZHVJYUJO-GHMZBOCLSA-N 2 1 270.377 -0.573 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC([NH+](C)CCO)CC1 ZINC000582309135 355013919 /nfs/dbraw/zinc/01/39/19/355013919.db2.gz OTPIRYMTVIOJEC-CQSZACIVSA-N 2 1 273.421 -0.313 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CCC([N@H+](C)CCO)CC1 ZINC000582309135 355013923 /nfs/dbraw/zinc/01/39/23/355013923.db2.gz OTPIRYMTVIOJEC-CQSZACIVSA-N 2 1 273.421 -0.313 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CCC([N@@H+](C)CCO)CC1 ZINC000582309135 355013925 /nfs/dbraw/zinc/01/39/25/355013925.db2.gz OTPIRYMTVIOJEC-CQSZACIVSA-N 2 1 273.421 -0.313 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCC([NH+](C)CCO)CC1 ZINC000582309134 355014205 /nfs/dbraw/zinc/01/42/05/355014205.db2.gz OTPIRYMTVIOJEC-AWEZNQCLSA-N 2 1 273.421 -0.313 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CCC([N@H+](C)CCO)CC1 ZINC000582309134 355014207 /nfs/dbraw/zinc/01/42/07/355014207.db2.gz OTPIRYMTVIOJEC-AWEZNQCLSA-N 2 1 273.421 -0.313 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CCC([N@@H+](C)CCO)CC1 ZINC000582309134 355014209 /nfs/dbraw/zinc/01/42/09/355014209.db2.gz OTPIRYMTVIOJEC-AWEZNQCLSA-N 2 1 273.421 -0.313 20 0 CBADMP CCC[C@@H]1CN(C(=O)[C@@H](C[NH3+])OC)CC[N@H+]1CCOC ZINC000583633819 355022087 /nfs/dbraw/zinc/02/20/87/355022087.db2.gz YCLKIDPREAJQFE-CHWSQXEVSA-N 2 1 287.404 -0.081 20 0 CBADMP CCC[NH2+][C@H](C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000583992354 355026441 /nfs/dbraw/zinc/02/64/41/355026441.db2.gz GJDLEHJXIWNEMC-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cn[nH]c2)CC1 ZINC000591701572 355109204 /nfs/dbraw/zinc/10/92/04/355109204.db2.gz WPLHACRCPKYYQT-UHFFFAOYSA-N 2 1 251.334 -0.337 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000591726702 355111373 /nfs/dbraw/zinc/11/13/73/355111373.db2.gz GTBZPNHQIMURDQ-GFCCVEGCSA-N 2 1 282.388 -0.782 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000591726702 355111376 /nfs/dbraw/zinc/11/13/76/355111376.db2.gz GTBZPNHQIMURDQ-GFCCVEGCSA-N 2 1 282.388 -0.782 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000592540734 355160212 /nfs/dbraw/zinc/16/02/12/355160212.db2.gz JWPHPWZWQKETDA-JTQLQIEISA-N 2 1 278.312 -0.444 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181778 355136841 /nfs/dbraw/zinc/13/68/41/355136841.db2.gz HUYAXGZXNROTGI-UHFFFAOYSA-N 2 1 298.387 -0.371 20 0 CBADMP NC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492181 355158391 /nfs/dbraw/zinc/15/83/91/355158391.db2.gz USCZOBZLSOQNEY-QWRGUYRKSA-N 2 1 268.361 -0.107 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593731549 355217205 /nfs/dbraw/zinc/21/72/05/355217205.db2.gz ZTQFUZVFIBEFAB-QJPTWQEYSA-N 2 1 298.387 -0.068 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[N@H+]1C ZINC000594877967 355266874 /nfs/dbraw/zinc/26/68/74/355266874.db2.gz ITOWAGBRVOUPGX-KXNHARMFSA-N 2 1 280.372 -0.903 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@H+]1C ZINC000594877968 355266973 /nfs/dbraw/zinc/26/69/73/355266973.db2.gz ITOWAGBRVOUPGX-WRWGMCAJSA-N 2 1 280.372 -0.903 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000594943445 355270046 /nfs/dbraw/zinc/27/00/46/355270046.db2.gz DWUXHOBXWCUMGW-WGBDABJCSA-N 2 1 256.346 -0.160 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000594943445 355270050 /nfs/dbraw/zinc/27/00/50/355270050.db2.gz DWUXHOBXWCUMGW-WGBDABJCSA-N 2 1 256.346 -0.160 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000595890184 355314260 /nfs/dbraw/zinc/31/42/60/355314260.db2.gz ZGIGBTPSDSFMBQ-WOPDTQHZSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CCN1CCC[C@@H]([NH+]2CCC([NH3+])CC2)C1=O ZINC000595894171 355315572 /nfs/dbraw/zinc/31/55/72/355315572.db2.gz SDXJXGRIWKQSMO-GFCCVEGCSA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)[C@](C)(O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595907023 355317774 /nfs/dbraw/zinc/31/77/74/355317774.db2.gz QSUZKDKMPRYPGW-TZMCWYRMSA-N 2 1 288.388 -0.047 20 0 CBADMP COC(=O)[C@](C)(O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595907023 355317776 /nfs/dbraw/zinc/31/77/76/355317776.db2.gz QSUZKDKMPRYPGW-TZMCWYRMSA-N 2 1 288.388 -0.047 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000595944525 355324314 /nfs/dbraw/zinc/32/43/14/355324314.db2.gz MDEGUYFSPSDXFE-GHMZBOCLSA-N 2 1 271.361 -0.133 20 0 CBADMP CCC[N@H+](CC(=O)NC(=O)NC)C1CC[NH2+]CC1 ZINC000037539246 283093998 /nfs/dbraw/zinc/09/39/98/283093998.db2.gz SRUQTEKDFYNBFK-UHFFFAOYSA-N 2 1 256.350 -0.094 20 0 CBADMP CCC[N@@H+](CC(=O)NC(=O)NC)C1CC[NH2+]CC1 ZINC000037539246 283094000 /nfs/dbraw/zinc/09/40/00/283094000.db2.gz SRUQTEKDFYNBFK-UHFFFAOYSA-N 2 1 256.350 -0.094 20 0 CBADMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000596106135 355343714 /nfs/dbraw/zinc/34/37/14/355343714.db2.gz PQPNPZLXTRWLCL-FDYHWXHSSA-N 3 1 266.389 -0.524 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000598127105 355432429 /nfs/dbraw/zinc/43/24/29/355432429.db2.gz LBOVLCNBOVYULB-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000598127105 355432432 /nfs/dbraw/zinc/43/24/32/355432432.db2.gz LBOVLCNBOVYULB-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000598127106 355432658 /nfs/dbraw/zinc/43/26/58/355432658.db2.gz LBOVLCNBOVYULB-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000598127106 355432662 /nfs/dbraw/zinc/43/26/62/355432662.db2.gz LBOVLCNBOVYULB-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCn1nccc1CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000598681566 355449931 /nfs/dbraw/zinc/44/99/31/355449931.db2.gz GXFQJRQJFXJBNZ-STQMWFEESA-N 2 1 277.372 -0.311 20 0 CBADMP CCn1nccc1CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000598681566 355449932 /nfs/dbraw/zinc/44/99/32/355449932.db2.gz GXFQJRQJFXJBNZ-STQMWFEESA-N 2 1 277.372 -0.311 20 0 CBADMP CCn1nccc1CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000598681560 355449967 /nfs/dbraw/zinc/44/99/67/355449967.db2.gz GXFQJRQJFXJBNZ-CHWSQXEVSA-N 2 1 277.372 -0.311 20 0 CBADMP CCn1nccc1CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000598681560 355449968 /nfs/dbraw/zinc/44/99/68/355449968.db2.gz GXFQJRQJFXJBNZ-CHWSQXEVSA-N 2 1 277.372 -0.311 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000419325982 291068770 /nfs/dbraw/zinc/06/87/70/291068770.db2.gz XVGJHIPEBIIJGN-VHSXEESVSA-N 2 1 282.388 -0.419 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@@H]3CCCCO3)CCN2C1=O ZINC000601326933 355586561 /nfs/dbraw/zinc/58/65/61/355586561.db2.gz XXHYOUDGBFITRT-GRYCIOLGSA-N 2 1 253.346 -0.201 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)CCN2C1=O ZINC000601326933 355586565 /nfs/dbraw/zinc/58/65/65/355586565.db2.gz XXHYOUDGBFITRT-GRYCIOLGSA-N 2 1 253.346 -0.201 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327533 355586687 /nfs/dbraw/zinc/58/66/87/355586687.db2.gz WDQMJJIWOQIYFJ-GHMZBOCLSA-N 2 1 271.361 -0.466 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000600730891 355563369 /nfs/dbraw/zinc/56/33/69/355563369.db2.gz NTKUDBBUECHQMD-NSHDSACASA-N 2 1 288.392 -0.223 20 0 CBADMP C[N@H+](CCOCC[NH3+])CC(=O)NC(=O)NC(C)(C)C ZINC000600732385 355564034 /nfs/dbraw/zinc/56/40/34/355564034.db2.gz AIURYCCWYSHXGO-UHFFFAOYSA-N 2 1 274.365 -0.482 20 0 CBADMP C[N@@H+](CCOCC[NH3+])CC(=O)NC(=O)NC(C)(C)C ZINC000600732385 355564038 /nfs/dbraw/zinc/56/40/38/355564038.db2.gz AIURYCCWYSHXGO-UHFFFAOYSA-N 2 1 274.365 -0.482 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000600732175 355564355 /nfs/dbraw/zinc/56/43/55/355564355.db2.gz XSUGOTIWAGWJDK-SNVBAGLBSA-N 2 1 286.376 -0.469 20 0 CBADMP C[C@@H](CNC(=O)CN1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000600949305 355571251 /nfs/dbraw/zinc/57/12/51/355571251.db2.gz QZWCJPITRKTSME-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP Cn1nccc1CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000601964741 355622228 /nfs/dbraw/zinc/62/22/28/355622228.db2.gz SAYSOEVJEGMKKR-NWDGAFQWSA-N 2 1 263.345 -0.794 20 0 CBADMP Cn1nccc1CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000601964741 355622230 /nfs/dbraw/zinc/62/22/30/355622230.db2.gz SAYSOEVJEGMKKR-NWDGAFQWSA-N 2 1 263.345 -0.794 20 0 CBADMP COC(=O)CCNC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603432314 355715042 /nfs/dbraw/zinc/71/50/42/355715042.db2.gz HYJFBROMZIZUFH-BDAKNGLRSA-N 2 1 257.334 -0.619 20 0 CBADMP COC(=O)CCN1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)C1=O ZINC000603434024 355716010 /nfs/dbraw/zinc/71/60/10/355716010.db2.gz OUEOCKNFBGROEK-AXFHLTTASA-N 2 1 283.372 -0.134 20 0 CBADMP C[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604606230 355726486 /nfs/dbraw/zinc/72/64/86/355726486.db2.gz JAOJVBGQHKOLCS-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP C[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604606230 355726491 /nfs/dbraw/zinc/72/64/91/355726491.db2.gz JAOJVBGQHKOLCS-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000604751988 355729246 /nfs/dbraw/zinc/72/92/46/355729246.db2.gz MMFDJQMKKFFHRL-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000604751988 355729248 /nfs/dbraw/zinc/72/92/48/355729248.db2.gz MMFDJQMKKFFHRL-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000604751988 355729250 /nfs/dbraw/zinc/72/92/50/355729250.db2.gz MMFDJQMKKFFHRL-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000604751988 355729251 /nfs/dbraw/zinc/72/92/51/355729251.db2.gz MMFDJQMKKFFHRL-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000612544390 355838915 /nfs/dbraw/zinc/83/89/15/355838915.db2.gz BXROSQDPTXBMDJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000612883868 355855053 /nfs/dbraw/zinc/85/50/53/355855053.db2.gz UQGHDXMUKRUEBC-DGCLKSJQSA-N 2 1 270.377 -0.242 20 0 CBADMP C[C@]1(NC(=O)NCC[N@H+]2CCCOCC2)CC[NH2+]C1 ZINC000612909478 355856838 /nfs/dbraw/zinc/85/68/38/355856838.db2.gz OLODTZSMVZQDCB-ZDUSSCGKSA-N 2 1 270.377 -0.240 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612987889 355859168 /nfs/dbraw/zinc/85/91/68/355859168.db2.gz RHTRAHUJUVZOGE-QWHCGFSZSA-N 2 1 296.415 -0.164 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612987889 355859172 /nfs/dbraw/zinc/85/91/72/355859172.db2.gz RHTRAHUJUVZOGE-QWHCGFSZSA-N 2 1 296.415 -0.164 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612987888 355859441 /nfs/dbraw/zinc/85/94/41/355859441.db2.gz RHTRAHUJUVZOGE-OLZOCXBDSA-N 2 1 296.415 -0.164 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612987888 355859444 /nfs/dbraw/zinc/85/94/44/355859444.db2.gz RHTRAHUJUVZOGE-OLZOCXBDSA-N 2 1 296.415 -0.164 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@@H](CO)C[NH+](C)C)CC1 ZINC000614846444 355989114 /nfs/dbraw/zinc/98/91/14/355989114.db2.gz HPQVHWRGOARURC-CYBMUJFWSA-N 2 1 286.420 -0.947 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000614502687 355964176 /nfs/dbraw/zinc/96/41/76/355964176.db2.gz LMGDMRUCEFRKSF-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614502687 355964179 /nfs/dbraw/zinc/96/41/79/355964179.db2.gz LMGDMRUCEFRKSF-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614502687 355964181 /nfs/dbraw/zinc/96/41/81/355964181.db2.gz LMGDMRUCEFRKSF-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)CC[N@H+]1C ZINC000614514885 355967968 /nfs/dbraw/zinc/96/79/68/355967968.db2.gz QKODNHNUHLSRCE-HZSPNIEDSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1C ZINC000614514885 355967969 /nfs/dbraw/zinc/96/79/69/355967969.db2.gz QKODNHNUHLSRCE-HZSPNIEDSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC[NH+]1C ZINC000614514885 355967971 /nfs/dbraw/zinc/96/79/71/355967971.db2.gz QKODNHNUHLSRCE-HZSPNIEDSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CC(=O)N1 ZINC000617503353 356139476 /nfs/dbraw/zinc/13/94/76/356139476.db2.gz FVWWNPOCQKVJET-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CC(=O)N1 ZINC000617503353 356139480 /nfs/dbraw/zinc/13/94/80/356139480.db2.gz FVWWNPOCQKVJET-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C1(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617504836 356139624 /nfs/dbraw/zinc/13/96/24/356139624.db2.gz MIYGBKGWSYDKLB-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C1(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617504836 356139627 /nfs/dbraw/zinc/13/96/27/356139627.db2.gz MIYGBKGWSYDKLB-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cn(C)nn1 ZINC000617508165 356140398 /nfs/dbraw/zinc/14/03/98/356140398.db2.gz VUAYCKLLOHIZEQ-NSHDSACASA-N 2 1 282.392 -0.183 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cn(C)nn1 ZINC000617508165 356140400 /nfs/dbraw/zinc/14/04/00/356140400.db2.gz VUAYCKLLOHIZEQ-NSHDSACASA-N 2 1 282.392 -0.183 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC000617508218 356140547 /nfs/dbraw/zinc/14/05/47/356140547.db2.gz YLOISJIJFUFPLW-RWMBFGLXSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC000617508218 356140550 /nfs/dbraw/zinc/14/05/50/356140550.db2.gz YLOISJIJFUFPLW-RWMBFGLXSA-N 2 1 298.431 -0.114 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000419911414 283144851 /nfs/dbraw/zinc/14/48/51/283144851.db2.gz BHSRVGKAWONGHD-AVGNSLFASA-N 2 1 294.399 -0.593 20 0 CBADMP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000619900855 356231076 /nfs/dbraw/zinc/23/10/76/356231076.db2.gz ZGDZPYGEZMCWBO-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000619900855 356231077 /nfs/dbraw/zinc/23/10/77/356231077.db2.gz ZGDZPYGEZMCWBO-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000619900855 356231078 /nfs/dbraw/zinc/23/10/78/356231078.db2.gz ZGDZPYGEZMCWBO-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000619900855 356231080 /nfs/dbraw/zinc/23/10/80/356231080.db2.gz ZGDZPYGEZMCWBO-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[NH+](C)C ZINC000618305757 356185138 /nfs/dbraw/zinc/18/51/38/356185138.db2.gz GKYPTSZPVXOIHT-UHFFFAOYSA-N 2 1 258.366 -0.974 20 0 CBADMP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000620970561 356253518 /nfs/dbraw/zinc/25/35/18/356253518.db2.gz STMKPVHFNLZYIP-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000620970561 356253521 /nfs/dbraw/zinc/25/35/21/356253521.db2.gz STMKPVHFNLZYIP-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC[NH2+]1 ZINC000621155556 356257256 /nfs/dbraw/zinc/25/72/56/356257256.db2.gz HYSWUVLDEKWQEI-KBPBESRZSA-N 2 1 280.416 -0.167 20 0 CBADMP CC(C)[C@H]1CN(C(=O)CN2CC[NH+](C)CC2)CC[NH2+]1 ZINC000621155054 356257957 /nfs/dbraw/zinc/25/79/57/356257957.db2.gz YAOPJWHIFVIBMN-CYBMUJFWSA-N 2 1 268.405 -0.310 20 0 CBADMP CC(C)[C@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC[NH2+]1 ZINC000621155557 356258073 /nfs/dbraw/zinc/25/80/73/356258073.db2.gz HYSWUVLDEKWQEI-KGLIPLIRSA-N 2 1 280.416 -0.167 20 0 CBADMP 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 283148289 /nfs/dbraw/zinc/14/82/89/283148289.db2.gz UUDOSSXXRBETFT-IEECTRCBSA-N 2 1 264.373 -0.060 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCC(O)CC1 ZINC000622658693 356334861 /nfs/dbraw/zinc/33/48/61/356334861.db2.gz CTGZIUNONGQRLT-UHFFFAOYSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H]1NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000623619006 356368796 /nfs/dbraw/zinc/36/87/96/356368796.db2.gz OFOKZHWPPADPRR-XQQFMLRXSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000623619006 356368801 /nfs/dbraw/zinc/36/88/01/356368801.db2.gz OFOKZHWPPADPRR-XQQFMLRXSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623619006 356368802 /nfs/dbraw/zinc/36/88/02/356368802.db2.gz OFOKZHWPPADPRR-XQQFMLRXSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623619006 356368806 /nfs/dbraw/zinc/36/88/06/356368806.db2.gz OFOKZHWPPADPRR-XQQFMLRXSA-N 2 1 268.405 -0.134 20 0 CBADMP C[N@@H+](CCNc1nc(N)[nH+]c(N)n1)C1CCCC1 ZINC000623941239 356384244 /nfs/dbraw/zinc/38/42/44/356384244.db2.gz MPONITKRVVHZME-UHFFFAOYSA-N 2 1 251.338 -0.595 20 0 CBADMP C[C@H](Nc1nc(N)nc(N)[nH+]1)C1CC[NH+](C)CC1 ZINC000623969907 356385478 /nfs/dbraw/zinc/38/54/78/356385478.db2.gz YHQSEUVPHPNFSK-ZETCQYMHSA-N 2 1 251.338 -0.739 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000624386034 356416143 /nfs/dbraw/zinc/41/61/43/356416143.db2.gz YHJZJKPPSBLFCA-ZETCQYMHSA-N 2 1 251.338 -0.597 20 0 CBADMP C[N@H+]1CCCC[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624536773 356425945 /nfs/dbraw/zinc/42/59/45/356425945.db2.gz BWDUBWVZOHMNDB-MRVPVSSYSA-N 2 1 251.338 -0.738 20 0 CBADMP C[N@@H+]1CCCC[C@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624536773 356425950 /nfs/dbraw/zinc/42/59/50/356425950.db2.gz BWDUBWVZOHMNDB-MRVPVSSYSA-N 2 1 251.338 -0.738 20 0 CBADMP C[N@H+]1CCCC[C@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624536773 356425954 /nfs/dbraw/zinc/42/59/54/356425954.db2.gz BWDUBWVZOHMNDB-MRVPVSSYSA-N 2 1 251.338 -0.738 20 0 CBADMP NC(=O)c1c[nH+]ccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000624773281 356437993 /nfs/dbraw/zinc/43/79/93/356437993.db2.gz GOOIMBKJXMZVML-VIFPVBQESA-N 2 1 250.302 -0.919 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000626036766 356502042 /nfs/dbraw/zinc/50/20/42/356502042.db2.gz OIMLICMIZXNCOP-BJHJDKERSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039586 356503648 /nfs/dbraw/zinc/50/36/48/356503648.db2.gz IAGAKTPNPKZYAR-TUAOUCFPSA-N 2 1 257.378 -0.117 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039586 356503654 /nfs/dbraw/zinc/50/36/54/356503654.db2.gz IAGAKTPNPKZYAR-TUAOUCFPSA-N 2 1 257.378 -0.117 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039586 356503658 /nfs/dbraw/zinc/50/36/58/356503658.db2.gz IAGAKTPNPKZYAR-TUAOUCFPSA-N 2 1 257.378 -0.117 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039586 356503663 /nfs/dbraw/zinc/50/36/63/356503663.db2.gz IAGAKTPNPKZYAR-TUAOUCFPSA-N 2 1 257.378 -0.117 20 0 CBADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000626938005 356558037 /nfs/dbraw/zinc/55/80/37/356558037.db2.gz LROOCKNYRXVPRU-YNEHKIRRSA-N 2 1 282.388 -0.099 20 0 CBADMP C[N@@H+](CCNC(=O)NCC1([NH3+])CCOCC1)C1CC1 ZINC000626976122 356561643 /nfs/dbraw/zinc/56/16/43/356561643.db2.gz PVJGJPQQXQOWPF-UHFFFAOYSA-N 2 1 270.377 -0.112 20 0 CBADMP [NH3+]CCCOCCNC(=O)NCC[NH+]1CCSCC1 ZINC000626976973 356562031 /nfs/dbraw/zinc/56/20/31/356562031.db2.gz UBOPXPMUYLSMDJ-UHFFFAOYSA-N 2 1 290.433 -0.300 20 0 CBADMP C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@H]1C[N@H+](C)CCO1 ZINC000627003618 356566027 /nfs/dbraw/zinc/56/60/27/356566027.db2.gz RYDQDIBDSPPNPC-HBNTYKKESA-N 2 1 256.350 -0.633 20 0 CBADMP C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@H]1C[N@@H+](C)CCO1 ZINC000627003618 356566031 /nfs/dbraw/zinc/56/60/31/356566031.db2.gz RYDQDIBDSPPNPC-HBNTYKKESA-N 2 1 256.350 -0.633 20 0 CBADMP C[C@H](NC(=O)N(C)CCOCC[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000627003938 356566068 /nfs/dbraw/zinc/56/60/68/356566068.db2.gz WZMDPLXFESSALI-RYUDHWBXSA-N 2 1 288.392 -0.678 20 0 CBADMP C[C@H](NC(=O)N(C)CCOCC[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000627003938 356566070 /nfs/dbraw/zinc/56/60/70/356566070.db2.gz WZMDPLXFESSALI-RYUDHWBXSA-N 2 1 288.392 -0.678 20 0 CBADMP C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000627003978 356566234 /nfs/dbraw/zinc/56/62/34/356566234.db2.gz XRQNKJCIZCXPAK-NNYUYHANSA-N 2 1 270.377 -0.245 20 0 CBADMP C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000627003978 356566237 /nfs/dbraw/zinc/56/62/37/356566237.db2.gz XRQNKJCIZCXPAK-NNYUYHANSA-N 2 1 270.377 -0.245 20 0 CBADMP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000626986166 356563313 /nfs/dbraw/zinc/56/33/13/356563313.db2.gz BGLKDEYKJKMJDT-CHWSQXEVSA-N 2 1 283.420 -0.469 20 0 CBADMP [NH3+]C1(CNC(=O)N2CC[NH+](C3CC3)CC2)CCOCC1 ZINC000627153866 356589521 /nfs/dbraw/zinc/58/95/21/356589521.db2.gz OTCVXNFLOLFZDA-UHFFFAOYSA-N 2 1 282.388 -0.016 20 0 CBADMP C[NH+]1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627155737 356590459 /nfs/dbraw/zinc/59/04/59/356590459.db2.gz FQQJLBUESSAMJL-UHFFFAOYSA-N 2 1 256.350 -0.549 20 0 CBADMP C[C@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC000627070435 356573757 /nfs/dbraw/zinc/57/37/57/356573757.db2.gz URYLMNZAZLQEDD-AVGNSLFASA-N 2 1 284.404 -0.260 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627076958 356575693 /nfs/dbraw/zinc/57/56/93/356575693.db2.gz NRASSESHDUUSNH-MNOVXSKESA-N 2 1 258.366 -0.665 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1CCC[NH2+]CC1 ZINC000627086066 356579238 /nfs/dbraw/zinc/57/92/38/356579238.db2.gz GCLREBZAAVZKCX-RYUDHWBXSA-N 2 1 270.377 -0.506 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC[NH2+]1 ZINC000627088484 356580542 /nfs/dbraw/zinc/58/05/42/356580542.db2.gz IONBDHMCXBJASR-IJLUTSLNSA-N 2 1 270.377 -0.507 20 0 CBADMP O=C(NCCC[C@@H]1CCC[NH2+]1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627100994 356582880 /nfs/dbraw/zinc/58/28/80/356582880.db2.gz VLZOLXZREXPQKH-QWHCGFSZSA-N 2 1 284.404 -0.116 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000627102661 356583695 /nfs/dbraw/zinc/58/36/95/356583695.db2.gz QKXCZDUUJSVUIS-GHMZBOCLSA-N 2 1 256.350 -0.632 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000627104045 356583818 /nfs/dbraw/zinc/58/38/18/356583818.db2.gz QKXCZDUUJSVUIS-QWRGUYRKSA-N 2 1 256.350 -0.632 20 0 CBADMP C[NH2+]CCOCCNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000627174462 356594609 /nfs/dbraw/zinc/59/46/09/356594609.db2.gz OQQCZNXWCJAOML-QWHCGFSZSA-N 2 1 284.404 -0.042 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627117687 356586370 /nfs/dbraw/zinc/58/63/70/356586370.db2.gz VXGNXNCMJPLWOT-NEPJUHHUSA-N 2 1 270.377 -0.242 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000627135516 356587704 /nfs/dbraw/zinc/58/77/04/356587704.db2.gz YYPPUSHGLVVPHO-LLVKDONJSA-N 2 1 268.361 -0.536 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000627225705 356609286 /nfs/dbraw/zinc/60/92/86/356609286.db2.gz AYULDCRHBKZQEE-SDDRHHMPSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000627250755 356612829 /nfs/dbraw/zinc/61/28/29/356612829.db2.gz CZTIEBFMYDWUEP-IJLUTSLNSA-N 2 1 270.377 -0.555 20 0 CBADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)N[C@@H]1CC[NH2+]C1 ZINC000627251644 356613839 /nfs/dbraw/zinc/61/38/39/356613839.db2.gz UPBVVNSRENSTFS-VXGBXAGGSA-N 2 1 270.377 -0.506 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251846 356613903 /nfs/dbraw/zinc/61/39/03/356613903.db2.gz BRIXSLHVCYWTRZ-GHMZBOCLSA-N 2 1 256.350 -0.944 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251846 356613905 /nfs/dbraw/zinc/61/39/05/356613905.db2.gz BRIXSLHVCYWTRZ-GHMZBOCLSA-N 2 1 256.350 -0.944 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)CCc2cncn2C)CC1 ZINC000328818203 202070443 /nfs/dbraw/zinc/07/04/43/202070443.db2.gz HBKOWNYXHSCUOH-LBPRGKRZSA-N 2 1 280.372 -0.122 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627204245 356604491 /nfs/dbraw/zinc/60/44/91/356604491.db2.gz CFJNOVKVVVXLFM-RYUDHWBXSA-N 2 1 272.393 -0.260 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000627346078 356629987 /nfs/dbraw/zinc/62/99/87/356629987.db2.gz DOEMBXRZILVHFI-NWDGAFQWSA-N 2 1 293.371 -0.436 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000627349571 356630456 /nfs/dbraw/zinc/63/04/56/356630456.db2.gz SCPYJLAAXYTQPN-CMPLNLGQSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000627357253 356631750 /nfs/dbraw/zinc/63/17/50/356631750.db2.gz BGIXYSVYUKQRFU-RWMBFGLXSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@@H+](C)C1CC1 ZINC000627372908 356634759 /nfs/dbraw/zinc/63/47/59/356634759.db2.gz ZUZXZMBYYKIXIR-WOPDTQHZSA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000627372085 356635023 /nfs/dbraw/zinc/63/50/23/356635023.db2.gz BTIOMUWWSRAWTE-VHSXEESVSA-N 2 1 268.361 -0.937 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000627258201 356616697 /nfs/dbraw/zinc/61/66/97/356616697.db2.gz WOVVWYZDGLJZIQ-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627258201 356616698 /nfs/dbraw/zinc/61/66/98/356616698.db2.gz WOVVWYZDGLJZIQ-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627258201 356616699 /nfs/dbraw/zinc/61/66/99/356616699.db2.gz WOVVWYZDGLJZIQ-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1)[NH+](C)C ZINC000627258751 356616721 /nfs/dbraw/zinc/61/67/21/356616721.db2.gz GPFUKRFWVZOCBB-TUAOUCFPSA-N 2 1 255.362 -0.396 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000627259135 356616748 /nfs/dbraw/zinc/61/67/48/356616748.db2.gz NNMPTVDLKCZYEE-FRRDWIJNSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627259135 356616749 /nfs/dbraw/zinc/61/67/49/356616749.db2.gz NNMPTVDLKCZYEE-FRRDWIJNSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627259135 356616750 /nfs/dbraw/zinc/61/67/50/356616750.db2.gz NNMPTVDLKCZYEE-FRRDWIJNSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000627266796 356617298 /nfs/dbraw/zinc/61/72/98/356617298.db2.gz FWXXBHFQLYGCCQ-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)C1 ZINC000627266796 356617302 /nfs/dbraw/zinc/61/73/02/356617302.db2.gz FWXXBHFQLYGCCQ-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)C1 ZINC000627266796 356617305 /nfs/dbraw/zinc/61/73/05/356617305.db2.gz FWXXBHFQLYGCCQ-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000627268948 356617680 /nfs/dbraw/zinc/61/76/80/356617680.db2.gz KPBCRBTWUQGQBV-NWDGAFQWSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000627268948 356617682 /nfs/dbraw/zinc/61/76/82/356617682.db2.gz KPBCRBTWUQGQBV-NWDGAFQWSA-N 2 1 267.373 -0.252 20 0 CBADMP 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 356622794 /nfs/dbraw/zinc/62/27/94/356622794.db2.gz DZEJIAVPZJILGW-LPWJVIDDSA-N 2 1 296.415 -0.158 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000627305300 356623372 /nfs/dbraw/zinc/62/33/72/356623372.db2.gz UGXYBTPQFNTOJY-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000627305301 356623509 /nfs/dbraw/zinc/62/35/09/356623509.db2.gz UGXYBTPQFNTOJY-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000627308095 356623730 /nfs/dbraw/zinc/62/37/30/356623730.db2.gz GNGGYBNJPQMAAK-RWMBFGLXSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)C[NH2+]1 ZINC000627319018 356625676 /nfs/dbraw/zinc/62/56/76/356625676.db2.gz HRWAKTDDCKVMIN-QWRGUYRKSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000627325440 356626345 /nfs/dbraw/zinc/62/63/45/356626345.db2.gz JYDRLANCCGRDFX-WCFLWFBJSA-N 2 1 294.399 -0.404 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000627425233 356644376 /nfs/dbraw/zinc/64/43/76/356644376.db2.gz IXKCTUYCXQEEAO-JHJVBQTASA-N 2 1 294.399 -0.402 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000627457541 356649190 /nfs/dbraw/zinc/64/91/90/356649190.db2.gz ZLKSRDAYRYYOEU-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000627380277 356636389 /nfs/dbraw/zinc/63/63/89/356636389.db2.gz MKDGBNHDCLWVHQ-VXGBXAGGSA-N 2 1 280.372 -0.935 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000627398872 356638609 /nfs/dbraw/zinc/63/86/09/356638609.db2.gz YRVBNFHBNCKCKP-IJLUTSLNSA-N 2 1 280.372 -0.793 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000627505377 356661102 /nfs/dbraw/zinc/66/11/02/356661102.db2.gz LJUNWYRFDXEUEU-JHJVBQTASA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC000627476737 356653349 /nfs/dbraw/zinc/65/33/49/356653349.db2.gz KPEBBQITGFWGII-UTUOFQBUSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627484269 356655413 /nfs/dbraw/zinc/65/54/13/356655413.db2.gz VELBKBBGLCUGSA-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP 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 356658980 /nfs/dbraw/zinc/65/89/80/356658980.db2.gz RXDLVGDSVNYBSD-ZDEQEGDKSA-N 2 1 296.415 -0.206 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627502970 356659172 /nfs/dbraw/zinc/65/91/72/356659172.db2.gz VIIIUZPWMSCTBS-YNEHKIRRSA-N 2 1 296.415 -0.299 20 0 CBADMP 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 356659188 /nfs/dbraw/zinc/65/91/88/356659188.db2.gz UJRNJJNUSPKACK-YVECIDJPSA-N 2 1 296.415 -0.348 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[C@H]1C ZINC000627502981 356659379 /nfs/dbraw/zinc/65/93/79/356659379.db2.gz VXXQBWXHWOAXFG-FVCCEPFGSA-N 2 1 296.415 -0.206 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[C@H]1C ZINC000627502981 356659382 /nfs/dbraw/zinc/65/93/82/356659382.db2.gz VXXQBWXHWOAXFG-FVCCEPFGSA-N 2 1 296.415 -0.206 20 0 CBADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CN3CC[NH+](C)CC3)C[C@H]21 ZINC000627651394 356667563 /nfs/dbraw/zinc/66/75/63/356667563.db2.gz PHJNSKNQNSAIKB-IMRBUKKESA-N 2 1 266.389 -0.748 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC[N@H+]1C ZINC000628585152 356714164 /nfs/dbraw/zinc/71/41/64/356714164.db2.gz UGWXLRKMZVGDNK-UPJWGTAASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH+]1C ZINC000628585152 356714167 /nfs/dbraw/zinc/71/41/67/356714167.db2.gz UGWXLRKMZVGDNK-UPJWGTAASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC[NH+]1C ZINC000628585152 356714170 /nfs/dbraw/zinc/71/41/70/356714170.db2.gz UGWXLRKMZVGDNK-UPJWGTAASA-N 2 1 296.415 -0.217 20 0 CBADMP COc1cncc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000629537315 356777463 /nfs/dbraw/zinc/77/74/63/356777463.db2.gz OQZZJTPQVIRRQE-ZDUSSCGKSA-N 2 1 277.372 -0.035 20 0 CBADMP COc1cncc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000629537315 356777467 /nfs/dbraw/zinc/77/74/67/356777467.db2.gz OQZZJTPQVIRRQE-ZDUSSCGKSA-N 2 1 277.372 -0.035 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH+]1CC[C@@H](O)C1)[C@H]1CCSC1 ZINC000629173357 356752684 /nfs/dbraw/zinc/75/26/84/356752684.db2.gz LLWWJOFYMKRQSU-NWDGAFQWSA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH+](CC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCSC1 ZINC000629173357 356752687 /nfs/dbraw/zinc/75/26/87/356752687.db2.gz LLWWJOFYMKRQSU-NWDGAFQWSA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH+](CC(=O)NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CCSC1 ZINC000629173357 356752690 /nfs/dbraw/zinc/75/26/90/356752690.db2.gz LLWWJOFYMKRQSU-NWDGAFQWSA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000629566413 356781223 /nfs/dbraw/zinc/78/12/23/356781223.db2.gz KEZPHSSNFRLBRN-BETUJISGSA-N 2 1 287.404 -0.210 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000629566413 356781225 /nfs/dbraw/zinc/78/12/25/356781225.db2.gz KEZPHSSNFRLBRN-BETUJISGSA-N 2 1 287.404 -0.210 20 0 CBADMP O=C1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CN1C1CC1 ZINC000629566073 356780333 /nfs/dbraw/zinc/78/03/33/356780333.db2.gz SBGMKBTXKOLSHW-AAEUAGOBSA-N 2 1 267.373 -0.204 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1cc(C)nn1C ZINC000629569670 356780910 /nfs/dbraw/zinc/78/09/10/356780910.db2.gz DRWXRCMOYMBYFB-UHFFFAOYSA-N 2 1 283.376 -0.165 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1cc(C)nn1C ZINC000629569670 356780913 /nfs/dbraw/zinc/78/09/13/356780913.db2.gz DRWXRCMOYMBYFB-UHFFFAOYSA-N 2 1 283.376 -0.165 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCOC2CCOCC2)C1 ZINC000629510205 356774884 /nfs/dbraw/zinc/77/48/84/356774884.db2.gz AVBAIWVBMWZWQL-ZDUSSCGKSA-N 2 1 299.415 -0.031 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CCCS(C)(=O)=O ZINC000629571815 356781105 /nfs/dbraw/zinc/78/11/05/356781105.db2.gz RGXBZONCOCSOQY-UHFFFAOYSA-N 2 1 252.380 -0.411 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CCCS(C)(=O)=O ZINC000629571815 356781108 /nfs/dbraw/zinc/78/11/08/356781108.db2.gz RGXBZONCOCSOQY-UHFFFAOYSA-N 2 1 252.380 -0.411 20 0 CBADMP C[C@@H]1C[NH2+]CC[C@H]1C[NH2+]Cc1nc(C[NH3+])cc(=O)[n-]1 ZINC000629654007 356788733 /nfs/dbraw/zinc/78/87/33/356788733.db2.gz SYDSERITRNAYTP-ZJUUUORDSA-N 2 1 265.361 -0.024 20 0 CBADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](CC(N)=O)C2)CC[NH2+]1 ZINC000629666879 356788781 /nfs/dbraw/zinc/78/87/81/356788781.db2.gz RXIYXKPZASEQBW-IJLUTSLNSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](CC(N)=O)C2)CC[NH2+]1 ZINC000629666876 356789159 /nfs/dbraw/zinc/78/91/59/356789159.db2.gz RXIYXKPZASEQBW-GRYCIOLGSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000630093424 356828057 /nfs/dbraw/zinc/82/80/57/356828057.db2.gz NTFKLYXLFYFJGH-GRYCIOLGSA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@H]1CN(C(=O)C[N@H+](C)CCOCC[NH3+])C[C@H](C)O1 ZINC000629573860 356781407 /nfs/dbraw/zinc/78/14/07/356781407.db2.gz DDGAGGOWHPXCNY-RYUDHWBXSA-N 2 1 273.377 -0.471 20 0 CBADMP C[C@H]1CN(C(=O)C[N@@H+](C)CCOCC[NH3+])C[C@H](C)O1 ZINC000629573860 356781410 /nfs/dbraw/zinc/78/14/10/356781410.db2.gz DDGAGGOWHPXCNY-RYUDHWBXSA-N 2 1 273.377 -0.471 20 0 CBADMP C[C@H](C(=O)Nc1ncccn1)[N@H+](C)CCOCC[NH3+] ZINC000629577093 356781471 /nfs/dbraw/zinc/78/14/71/356781471.db2.gz YJKNWQIUIGDAND-SNVBAGLBSA-N 2 1 267.333 -0.289 20 0 CBADMP C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)CCOCC[NH3+] ZINC000629577093 356781474 /nfs/dbraw/zinc/78/14/74/356781474.db2.gz YJKNWQIUIGDAND-SNVBAGLBSA-N 2 1 267.333 -0.289 20 0 CBADMP C[N@H+](CCOCC[NH3+])CC(=O)NC[C@@H]1CCCO1 ZINC000629577329 356781919 /nfs/dbraw/zinc/78/19/19/356781919.db2.gz GITNTIIXLZAJTC-NSHDSACASA-N 2 1 259.350 -0.811 20 0 CBADMP C[N@@H+](CCOCC[NH3+])CC(=O)NC[C@@H]1CCCO1 ZINC000629577329 356781921 /nfs/dbraw/zinc/78/19/21/356781921.db2.gz GITNTIIXLZAJTC-NSHDSACASA-N 2 1 259.350 -0.811 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)O1 ZINC000629575230 356781929 /nfs/dbraw/zinc/78/19/29/356781929.db2.gz NYSHGOUDFKOHRE-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629579224 356783143 /nfs/dbraw/zinc/78/31/43/356783143.db2.gz CDFSQDIMXIXTKP-NWDGAFQWSA-N 2 1 293.433 -0.640 20 0 CBADMP COC[C@@]1(C)C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000629594382 356784786 /nfs/dbraw/zinc/78/47/86/356784786.db2.gz BQRKAUORBDVZKI-CYBMUJFWSA-N 2 1 257.378 -0.371 20 0 CBADMP COC[C@@]1(C)C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000629594382 356784789 /nfs/dbraw/zinc/78/47/89/356784789.db2.gz BQRKAUORBDVZKI-CYBMUJFWSA-N 2 1 257.378 -0.371 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000629595216 356785059 /nfs/dbraw/zinc/78/50/59/356785059.db2.gz LDIJWBSSCPJYQJ-NEPJUHHUSA-N 2 1 293.433 -0.782 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000629595216 356785061 /nfs/dbraw/zinc/78/50/61/356785061.db2.gz LDIJWBSSCPJYQJ-NEPJUHHUSA-N 2 1 293.433 -0.782 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000629595369 356785099 /nfs/dbraw/zinc/78/50/99/356785099.db2.gz NMAYHKQFCKAGLH-RYUDHWBXSA-N 2 1 275.418 -0.143 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000631795617 356908243 /nfs/dbraw/zinc/90/82/43/356908243.db2.gz IXBHIJKYKOSJCQ-UHFFFAOYSA-N 2 1 263.407 -0.048 20 0 CBADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000631820806 356908685 /nfs/dbraw/zinc/90/86/85/356908685.db2.gz GWMQNLKWADBWFB-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C[NH3+] ZINC000631841411 356910427 /nfs/dbraw/zinc/91/04/27/356910427.db2.gz KHWLOWQGFXMBSX-NXEZZACHSA-N 2 1 268.361 -0.157 20 0 CBADMP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000631840682 356910685 /nfs/dbraw/zinc/91/06/85/356910685.db2.gz ULDDMGFXYBDCRQ-DGCLKSJQSA-N 2 1 279.388 -0.095 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000631840682 356910689 /nfs/dbraw/zinc/91/06/89/356910689.db2.gz ULDDMGFXYBDCRQ-DGCLKSJQSA-N 2 1 279.388 -0.095 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NCC2CC[NH2+]CC2)CC1 ZINC000631900984 356918109 /nfs/dbraw/zinc/91/81/09/356918109.db2.gz NYCHGGMZDAPWQI-UHFFFAOYSA-N 2 1 275.418 0.000 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000631903443 356919690 /nfs/dbraw/zinc/91/96/90/356919690.db2.gz IZJFLZCXHSCHCY-LLVKDONJSA-N 2 1 275.418 0.000 20 0 CBADMP C[C@@H]1CN(S(=O)(=O)N(C)C2CC[NH2+]CC2)CC[NH2+]1 ZINC000631904424 356920268 /nfs/dbraw/zinc/92/02/68/356920268.db2.gz NEWDQPFXLQLLRO-SNVBAGLBSA-N 2 1 276.406 -0.791 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000631930073 356924699 /nfs/dbraw/zinc/92/46/99/356924699.db2.gz WIBVFJCAJPQQRN-SNVBAGLBSA-N 2 1 277.390 -0.930 20 0 CBADMP CCC[NH2+]CCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631934198 356926887 /nfs/dbraw/zinc/92/68/87/356926887.db2.gz RTIITGGWVDKBPP-UHFFFAOYSA-N 2 1 263.407 0.000 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000631645195 356899913 /nfs/dbraw/zinc/89/99/13/356899913.db2.gz MFDSJQWLGHPZJU-UHFFFAOYSA-N 2 1 263.407 -0.095 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000631645195 356899917 /nfs/dbraw/zinc/89/99/17/356899917.db2.gz MFDSJQWLGHPZJU-UHFFFAOYSA-N 2 1 263.407 -0.095 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000632412803 356985509 /nfs/dbraw/zinc/98/55/09/356985509.db2.gz LTYUKNQEVLYOSG-NWDGAFQWSA-N 2 1 275.418 -0.096 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633080351 357040884 /nfs/dbraw/zinc/04/08/84/357040884.db2.gz OLKMLJWXSRYUMA-AGIUHOORSA-N 2 1 294.399 -0.641 20 0 CBADMP 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 357044644 /nfs/dbraw/zinc/04/46/44/357044644.db2.gz UVGCQVCAZJKCBK-RVMXOQNASA-N 2 1 294.399 -0.500 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)[C@H]2C1 ZINC000633099978 357045340 /nfs/dbraw/zinc/04/53/40/357045340.db2.gz MJZAAZGIZRMSGH-CYDGBPFRSA-N 2 1 292.383 -0.888 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633106065 357047178 /nfs/dbraw/zinc/04/71/78/357047178.db2.gz GPEVPHWCTRGJKZ-FRRDWIJNSA-N 2 1 294.399 -0.498 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000633116142 357049384 /nfs/dbraw/zinc/04/93/84/357049384.db2.gz PKDYICXVHCHUHJ-CHWSQXEVSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000633137916 357051548 /nfs/dbraw/zinc/05/15/48/357051548.db2.gz AAYIFHFUCISOLD-JMSVASOKSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000633138893 357051561 /nfs/dbraw/zinc/05/15/61/357051561.db2.gz FCYFQGIQJRTMIB-YFKTTZPYSA-N 2 1 282.388 -0.515 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000633138893 357051566 /nfs/dbraw/zinc/05/15/66/357051566.db2.gz FCYFQGIQJRTMIB-YFKTTZPYSA-N 2 1 282.388 -0.515 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000633137919 357051582 /nfs/dbraw/zinc/05/15/82/357051582.db2.gz AAYIFHFUCISOLD-XUJVJEKNSA-N 2 1 294.399 -0.511 20 0 CBADMP CCN(C(=O)C(=O)N(C)Cc1ncc[nH]1)[C@@H]1CC[N@@H+](C)C1 ZINC000632659609 357014013 /nfs/dbraw/zinc/01/40/13/357014013.db2.gz ABFUJDRODDWVAE-LLVKDONJSA-N 2 1 293.371 -0.079 20 0 CBADMP CCN(C(=O)C(=O)N(C)Cc1ncc[nH]1)[C@@H]1CCN(C)C1 ZINC000632659609 357014015 /nfs/dbraw/zinc/01/40/15/357014015.db2.gz ABFUJDRODDWVAE-LLVKDONJSA-N 2 1 293.371 -0.079 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000633481134 357069033 /nfs/dbraw/zinc/06/90/33/357069033.db2.gz KCPSFRIDNNSQKO-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP COCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000635424770 357162457 /nfs/dbraw/zinc/16/24/57/357162457.db2.gz DZMLACCBEQBACR-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000635424770 357162459 /nfs/dbraw/zinc/16/24/59/357162459.db2.gz DZMLACCBEQBACR-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635517482 357171300 /nfs/dbraw/zinc/17/13/00/357171300.db2.gz PYQRSCAORAOFTA-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635517482 357171303 /nfs/dbraw/zinc/17/13/03/357171303.db2.gz PYQRSCAORAOFTA-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634718576 357129328 /nfs/dbraw/zinc/12/93/28/357129328.db2.gz FTDJVJNERIJMNO-UPJWGTAASA-N 2 1 260.378 -0.590 20 0 CBADMP OC[C@@H](O)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634718610 357129402 /nfs/dbraw/zinc/12/94/02/357129402.db2.gz GJWBBIAHILBCSH-LSDHHAIUSA-N 2 1 280.368 -0.434 20 0 CBADMP OC[C@@H](O)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634718610 357129404 /nfs/dbraw/zinc/12/94/04/357129404.db2.gz GJWBBIAHILBCSH-LSDHHAIUSA-N 2 1 280.368 -0.434 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634735714 357130576 /nfs/dbraw/zinc/13/05/76/357130576.db2.gz OTXSFWRSHKITPS-UPJWGTAASA-N 2 1 267.373 -0.238 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635728445 357197507 /nfs/dbraw/zinc/19/75/07/357197507.db2.gz XRZFJLLYUSLBAP-YPMHNXCESA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H]1CN(C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCO ZINC000635823521 357213504 /nfs/dbraw/zinc/21/35/04/357213504.db2.gz OYAXEYRYUBLSOM-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CN(C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCO ZINC000635823521 357213505 /nfs/dbraw/zinc/21/35/05/357213505.db2.gz OYAXEYRYUBLSOM-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCO ZINC000635823521 357213508 /nfs/dbraw/zinc/21/35/08/357213508.db2.gz OYAXEYRYUBLSOM-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCO ZINC000635823521 357213511 /nfs/dbraw/zinc/21/35/11/357213511.db2.gz OYAXEYRYUBLSOM-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000635900163 357227350 /nfs/dbraw/zinc/22/73/50/357227350.db2.gz BCHCVALASHZJPQ-CYBMUJFWSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+](C)C ZINC000635571964 357177968 /nfs/dbraw/zinc/17/79/68/357177968.db2.gz DXQDZDJIYGNXSN-KGLIPLIRSA-N 2 1 298.431 -0.541 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000636578688 357290172 /nfs/dbraw/zinc/29/01/72/357290172.db2.gz NLODGZOFCIYYIA-MJBXVCDLSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000636578688 357290176 /nfs/dbraw/zinc/29/01/76/357290176.db2.gz NLODGZOFCIYYIA-MJBXVCDLSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000636578688 357290182 /nfs/dbraw/zinc/29/01/82/357290182.db2.gz NLODGZOFCIYYIA-MJBXVCDLSA-N 2 1 296.415 -0.021 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636606983 357291832 /nfs/dbraw/zinc/29/18/32/357291832.db2.gz LUZJPKFTOAPBSG-ZDUSSCGKSA-N 2 1 295.387 -0.053 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636606983 357291834 /nfs/dbraw/zinc/29/18/34/357291834.db2.gz LUZJPKFTOAPBSG-ZDUSSCGKSA-N 2 1 295.387 -0.053 20 0 CBADMP CC[N@@H+](CCNC(=O)NCC[NH+]1CC[C@@H](O)C1)C1CC1 ZINC000636716826 357298112 /nfs/dbraw/zinc/29/81/12/357298112.db2.gz WPFJLBRTBKWXAN-CYBMUJFWSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[NH+](CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000636716826 357298119 /nfs/dbraw/zinc/29/81/19/357298119.db2.gz WPFJLBRTBKWXAN-CYBMUJFWSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[NH+](CCNC(=O)NCC[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000636716826 357298122 /nfs/dbraw/zinc/29/81/22/357298122.db2.gz WPFJLBRTBKWXAN-CYBMUJFWSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000635998373 357247809 /nfs/dbraw/zinc/24/78/09/357247809.db2.gz DRLJCVUETRQQDM-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000636047480 357255498 /nfs/dbraw/zinc/25/54/98/357255498.db2.gz KCPSFRIDNNSQKO-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1=O ZINC000636120160 357264726 /nfs/dbraw/zinc/26/47/26/357264726.db2.gz NJDONTLHFDUGKP-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000636125565 357265639 /nfs/dbraw/zinc/26/56/39/357265639.db2.gz PGDRHTAUOVFRCR-DGCLKSJQSA-N 2 1 267.373 -0.394 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000636125565 357265642 /nfs/dbraw/zinc/26/56/42/357265642.db2.gz PGDRHTAUOVFRCR-DGCLKSJQSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000636125565 357265646 /nfs/dbraw/zinc/26/56/46/357265646.db2.gz PGDRHTAUOVFRCR-DGCLKSJQSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000636125565 357265649 /nfs/dbraw/zinc/26/56/49/357265649.db2.gz PGDRHTAUOVFRCR-DGCLKSJQSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+](C)CC1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000636256276 357274729 /nfs/dbraw/zinc/27/47/29/357274729.db2.gz SLJGEUCBZHBMRK-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCCN1CC[NH2+]CC1 ZINC000637811958 357369511 /nfs/dbraw/zinc/36/95/11/357369511.db2.gz UFGKMYGBTCBPQK-UHFFFAOYSA-N 2 1 251.334 -0.787 20 0 CBADMP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000637832533 357372404 /nfs/dbraw/zinc/37/24/04/357372404.db2.gz IJIZBYMEFMIMFD-AVGNSLFASA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C[N@H+]1C1CC1 ZINC000636907204 357311471 /nfs/dbraw/zinc/31/14/71/357311471.db2.gz LUXPAJSWVRIAQY-SCRDCRAPSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C[NH+]1C1CC1 ZINC000636907204 357311473 /nfs/dbraw/zinc/31/14/73/357311473.db2.gz LUXPAJSWVRIAQY-SCRDCRAPSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C[NH+]1C1CC1 ZINC000636907204 357311477 /nfs/dbraw/zinc/31/14/77/357311477.db2.gz LUXPAJSWVRIAQY-SCRDCRAPSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000636907205 357311730 /nfs/dbraw/zinc/31/17/30/357311730.db2.gz LUXPAJSWVRIAQY-SGMGOOAPSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@H]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C[NH+]1C1CC1 ZINC000636907205 357311731 /nfs/dbraw/zinc/31/17/31/357311731.db2.gz LUXPAJSWVRIAQY-SGMGOOAPSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@H]1C[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C[NH+]1C1CC1 ZINC000636907205 357311733 /nfs/dbraw/zinc/31/17/33/357311733.db2.gz LUXPAJSWVRIAQY-SGMGOOAPSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000636923883 357312713 /nfs/dbraw/zinc/31/27/13/357312713.db2.gz ZUEWBNAACWXYMG-IACUBPJLSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636923883 357312715 /nfs/dbraw/zinc/31/27/15/357312715.db2.gz ZUEWBNAACWXYMG-IACUBPJLSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636923883 357312717 /nfs/dbraw/zinc/31/27/17/357312717.db2.gz ZUEWBNAACWXYMG-IACUBPJLSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000636923881 357312735 /nfs/dbraw/zinc/31/27/35/357312735.db2.gz ZUEWBNAACWXYMG-FPMFFAJLSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636923881 357312739 /nfs/dbraw/zinc/31/27/39/357312739.db2.gz ZUEWBNAACWXYMG-FPMFFAJLSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636923881 357312743 /nfs/dbraw/zinc/31/27/43/357312743.db2.gz ZUEWBNAACWXYMG-FPMFFAJLSA-N 2 1 296.415 -0.165 20 0 CBADMP C[NH2+]CCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000637545271 357357264 /nfs/dbraw/zinc/35/72/64/357357264.db2.gz RGBIJPNGIOJAQK-UHFFFAOYSA-N 2 1 258.366 -0.696 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000637804563 357366502 /nfs/dbraw/zinc/36/65/02/357366502.db2.gz DLOZTXWISGJWHG-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000637809228 357367979 /nfs/dbraw/zinc/36/79/79/357367979.db2.gz NJZFPHWJKDBXNH-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP [NH3+]C[C@]1(C(=O)NCCC[NH+]2CCOCC2)CCCOC1 ZINC000638048548 357405372 /nfs/dbraw/zinc/40/53/72/357405372.db2.gz RTOLCGTXXAHXEO-CQSZACIVSA-N 2 1 285.388 -0.420 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)CCC2C[NH2+]C2)CC1 ZINC000638064297 357408952 /nfs/dbraw/zinc/40/89/52/357408952.db2.gz LSJYMAUMXDYNPJ-UHFFFAOYSA-N 2 1 282.388 -0.734 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638071130 357410124 /nfs/dbraw/zinc/41/01/24/357410124.db2.gz FOPSMVAZUZMQDN-OCCSQVGLSA-N 2 1 287.404 -0.162 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638071128 357410171 /nfs/dbraw/zinc/41/01/71/357410171.db2.gz FOPSMVAZUZMQDN-GXTWGEPZSA-N 2 1 287.404 -0.162 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000638078179 357411928 /nfs/dbraw/zinc/41/19/28/357411928.db2.gz FAZCUKMSJPWKDX-GMXVVIOVSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)C[NH+]1CCOCC1 ZINC000638089807 357414742 /nfs/dbraw/zinc/41/47/42/357414742.db2.gz DNNFBTKDDSSBPJ-HIFRSBDPSA-N 2 1 299.415 -0.174 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638091713 357414864 /nfs/dbraw/zinc/41/48/64/357414864.db2.gz QHGRMWPRKCGMJE-GFCCVEGCSA-N 2 1 259.350 -0.941 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000638243034 357442553 /nfs/dbraw/zinc/44/25/53/357442553.db2.gz JQKLFJTYOBKZIN-PREPNJAASA-N 2 1 251.330 -0.816 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000638100520 357417448 /nfs/dbraw/zinc/41/74/48/357417448.db2.gz PWVLBISLODGIAP-GFCCVEGCSA-N 2 1 293.371 -0.224 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000638103392 357417770 /nfs/dbraw/zinc/41/77/70/357417770.db2.gz MNWQZKWDBZXVRM-VOAKCMCISA-N 2 1 283.372 -0.840 20 0 CBADMP CN(C(=O)[C@@H]1OCC[C@@H]1[NH3+])[C@H]1CC[N@H+](C2CC2)C1 ZINC000638102198 357418545 /nfs/dbraw/zinc/41/85/45/357418545.db2.gz TZPNSWFPVIXQSR-SDDRHHMPSA-N 2 1 253.346 -0.202 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638102066 357418582 /nfs/dbraw/zinc/41/85/82/357418582.db2.gz XJVZOWRBISDELL-HIFRSBDPSA-N 2 1 299.415 -0.031 20 0 CBADMP O=C(CN1CC[NH2+]CC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000638102974 357418683 /nfs/dbraw/zinc/41/86/83/357418683.db2.gz YFALRXHQXOPWPE-CYBMUJFWSA-N 2 1 266.389 -0.508 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@@]2(C[NH3+])CCCOC2)n1C ZINC000638108697 357419568 /nfs/dbraw/zinc/41/95/68/357419568.db2.gz ADJJCCNCAADURK-CQSZACIVSA-N 2 1 295.387 -0.142 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638127370 357422582 /nfs/dbraw/zinc/42/25/82/357422582.db2.gz VKHUPAOFVLHBCK-AAEUAGOBSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638134734 357423701 /nfs/dbraw/zinc/42/37/01/357423701.db2.gz OIFVKIGMXNDBEA-OHBODLIOSA-N 2 1 253.346 -0.299 20 0 CBADMP COC[C@@]1(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCCC[NH2+]1 ZINC000638138416 357425454 /nfs/dbraw/zinc/42/54/54/357425454.db2.gz ARAMFOZPGSSLMT-UKRRQHHQSA-N 2 1 298.431 -0.493 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1C ZINC000638170939 357430165 /nfs/dbraw/zinc/43/01/65/357430165.db2.gz ILFBXJHFRQRGNM-SDDRHHMPSA-N 2 1 255.362 -0.097 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000638169885 357430503 /nfs/dbraw/zinc/43/05/03/357430503.db2.gz MXUORNVDHWLAOU-WCQYABFASA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+](C)C ZINC000638173820 357431365 /nfs/dbraw/zinc/43/13/65/357431365.db2.gz KXGISKPFQGOHTK-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638253040 357444060 /nfs/dbraw/zinc/44/40/60/357444060.db2.gz GXXIXMNFODSSPH-OLZOCXBDSA-N 2 1 273.352 -0.098 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638226098 357437066 /nfs/dbraw/zinc/43/70/66/357437066.db2.gz CXCUUFXGUCCTCH-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000638226721 357437589 /nfs/dbraw/zinc/43/75/89/357437589.db2.gz IOHZXJVFOIEZOL-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP CN1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](C[NH3+])C1 ZINC000637866346 357379538 /nfs/dbraw/zinc/37/95/38/357379538.db2.gz KXRNSONKKJYAQN-NEPJUHHUSA-N 2 1 254.378 -0.571 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000637868574 357380456 /nfs/dbraw/zinc/38/04/56/357380456.db2.gz XYHSOZGWECSIBP-GXSJLCMTSA-N 2 1 252.318 -0.234 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000637867007 357380485 /nfs/dbraw/zinc/38/04/85/357380485.db2.gz QSKQRXYOPQDATK-WDEREUQCSA-N 2 1 252.318 -0.234 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000638571924 357495746 /nfs/dbraw/zinc/49/57/46/357495746.db2.gz BNMMAMIDSSMUFL-FRRDWIJNSA-N 2 1 268.405 -0.121 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCOCC[NH2+]C)C1 ZINC000638578697 357497139 /nfs/dbraw/zinc/49/71/39/357497139.db2.gz HUFOPYIBOVQQFV-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCOCC[NH2+]C)C1 ZINC000638578697 357497141 /nfs/dbraw/zinc/49/71/41/357497141.db2.gz HUFOPYIBOVQQFV-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCCOCC[NH2+]C)CC1 ZINC000638578572 357497201 /nfs/dbraw/zinc/49/72/01/357497201.db2.gz OTSMKZOZMWQACK-UHFFFAOYSA-N 2 1 286.420 -0.634 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N(C)C1CC([NH3+])C1 ZINC000638254495 357444577 /nfs/dbraw/zinc/44/45/77/357444577.db2.gz AULUEBNYNCUIPA-UHFFFAOYSA-N 2 1 287.404 -0.081 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)O1 ZINC000638267854 357445861 /nfs/dbraw/zinc/44/58/61/357445861.db2.gz UMHHBLKYJAFQDS-YVECIDJPSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)O1 ZINC000638267854 357445864 /nfs/dbraw/zinc/44/58/64/357445864.db2.gz UMHHBLKYJAFQDS-YVECIDJPSA-N 2 1 267.373 -0.084 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000638266271 357446463 /nfs/dbraw/zinc/44/64/63/357446463.db2.gz PNJOXDFVKLHREG-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638274370 357448416 /nfs/dbraw/zinc/44/84/16/357448416.db2.gz NQYCCMSRAQHNFX-HIFRSBDPSA-N 2 1 299.415 -0.066 20 0 CBADMP [NH3+]C[C@]1(C(=O)NCC[N@H+]2CCCOCC2)CCCOC1 ZINC000638295125 357453470 /nfs/dbraw/zinc/45/34/70/357453470.db2.gz TYRJXWWVUXFPHV-CQSZACIVSA-N 2 1 285.388 -0.420 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000638343935 357460199 /nfs/dbraw/zinc/46/01/99/357460199.db2.gz PZSNTONNZGADTM-NEPJUHHUSA-N 2 1 255.362 -0.096 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000638438793 357476217 /nfs/dbraw/zinc/47/62/17/357476217.db2.gz CQKBQIXNDLHBGM-CQSZACIVSA-N 2 1 287.404 -0.161 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000638439604 357477862 /nfs/dbraw/zinc/47/78/62/357477862.db2.gz HYHPHUZOHMYKHM-NSHDSACASA-N 2 1 253.346 -0.329 20 0 CBADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000638495335 357486470 /nfs/dbraw/zinc/48/64/70/357486470.db2.gz ARBQNJXUFJQDDZ-WOPDTQHZSA-N 2 1 282.388 -0.560 20 0 CBADMP CC1(C)C[NH2+][C@@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000638497090 357487152 /nfs/dbraw/zinc/48/71/52/357487152.db2.gz IYVJKEIDEIRBQX-WDEREUQCSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000638499076 357488251 /nfs/dbraw/zinc/48/82/51/357488251.db2.gz XTSHZHQMVJFYTA-UPJWGTAASA-N 2 1 296.415 -0.170 20 0 CBADMP [NH3+]C1(CNC(=O)[C@@H]2CC[NH2+]CC2(F)F)CCOCC1 ZINC000638540207 357493419 /nfs/dbraw/zinc/49/34/19/357493419.db2.gz JGTXSZVSANOXIN-VIFPVBQESA-N 2 1 277.315 -0.145 20 0 CBADMP [NH3+]C1(CNC(=O)[C@H]2CC[NH2+]CC2(F)F)CCOCC1 ZINC000638540206 357493668 /nfs/dbraw/zinc/49/36/68/357493668.db2.gz JGTXSZVSANOXIN-SECBINFHSA-N 2 1 277.315 -0.145 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000638550937 357494737 /nfs/dbraw/zinc/49/47/37/357494737.db2.gz MFZYEDCKSSDNQL-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP C[C@@H](C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N1CC[NH+](C)CC1 ZINC000638645040 357515534 /nfs/dbraw/zinc/51/55/34/357515534.db2.gz UDCSYEXZHNBQAN-AGIUHOORSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N1CC[NH+](C)CC1 ZINC000638645210 357515830 /nfs/dbraw/zinc/51/58/30/357515830.db2.gz UDCSYEXZHNBQAN-UPJWGTAASA-N 2 1 268.405 -0.121 20 0 CBADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000638728444 357525961 /nfs/dbraw/zinc/52/59/61/357525961.db2.gz RRFNEXPLKSGVJO-DMDPSCGWSA-N 2 1 255.362 -0.036 20 0 CBADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1(O)C[NH2+]C1 ZINC000638803271 357533495 /nfs/dbraw/zinc/53/34/95/357533495.db2.gz KHBNMADEHCLJTM-AWEZNQCLSA-N 2 1 289.379 -0.041 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000638925435 357544648 /nfs/dbraw/zinc/54/46/48/357544648.db2.gz MKNSFJCYZPIGIG-OKILXGFUSA-N 2 1 280.416 -0.023 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000638934289 357546128 /nfs/dbraw/zinc/54/61/28/357546128.db2.gz GMBRUKDSDXTGGC-QWHCGFSZSA-N 2 1 268.405 -0.038 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000639049606 357556318 /nfs/dbraw/zinc/55/63/18/357556318.db2.gz VXEMXZCKLNDKKO-OAHLLOKOSA-N 2 1 285.432 -0.122 20 0 CBADMP CO[C@]1(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)CCOC1 ZINC000639287217 357565322 /nfs/dbraw/zinc/56/53/22/357565322.db2.gz BBZWUFVPUBXDKO-AWEZNQCLSA-N 2 1 285.388 -0.502 20 0 CBADMP CO[C@]1(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)CCOC1 ZINC000639287217 357565325 /nfs/dbraw/zinc/56/53/25/357565325.db2.gz BBZWUFVPUBXDKO-AWEZNQCLSA-N 2 1 285.388 -0.502 20 0 CBADMP C[NH+]1CCC2(CC[N@@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC000639757965 357595276 /nfs/dbraw/zinc/59/52/76/357595276.db2.gz NQBFMBWQJGNYRW-UHFFFAOYSA-N 2 1 280.372 -0.044 20 0 CBADMP CCOC[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761753 357596026 /nfs/dbraw/zinc/59/60/26/357596026.db2.gz IYWBQHIMYZONRS-STQMWFEESA-N 2 1 260.378 -0.228 20 0 CBADMP CCOC[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761753 357596028 /nfs/dbraw/zinc/59/60/28/357596028.db2.gz IYWBQHIMYZONRS-STQMWFEESA-N 2 1 260.378 -0.228 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000639764426 357596389 /nfs/dbraw/zinc/59/63/89/357596389.db2.gz VOGYFFXKBHTWCQ-UONOGXRCSA-N 2 1 282.388 -0.368 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000639764426 357596391 /nfs/dbraw/zinc/59/63/91/357596391.db2.gz VOGYFFXKBHTWCQ-UONOGXRCSA-N 2 1 282.388 -0.368 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000640316816 357642596 /nfs/dbraw/zinc/64/25/96/357642596.db2.gz BDABGLKIWSDDEF-LBPRGKRZSA-N 2 1 266.345 -0.236 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000640676429 357662264 /nfs/dbraw/zinc/66/22/64/357662264.db2.gz JHQIDDCJCNCLSH-DTWKUNHWSA-N 2 1 262.304 -0.026 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000640676430 357662278 /nfs/dbraw/zinc/66/22/78/357662278.db2.gz JHQIDDCJCNCLSH-IUCAKERBSA-N 2 1 262.304 -0.026 20 0 CBADMP C[NH+]1CCN(C(=O)Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000640837820 357665998 /nfs/dbraw/zinc/66/59/98/357665998.db2.gz XIQUCYRAESNPES-LBPRGKRZSA-N 2 1 292.387 -0.796 20 0 CBADMP C[C@H]([NH3+])CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000641493516 357712877 /nfs/dbraw/zinc/71/28/77/357712877.db2.gz NUXIRXXJYMJLSA-QWRGUYRKSA-N 2 1 272.393 -0.180 20 0 CBADMP C[C@H]([NH3+])CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000641493518 357713305 /nfs/dbraw/zinc/71/33/05/357713305.db2.gz NUXIRXXJYMJLSA-WDEREUQCSA-N 2 1 272.393 -0.180 20 0 CBADMP CC[N@H+](C)C[C@@H](O)Cn1cc(C[NH+]2CCC[C@H]2CO)nn1 ZINC000641221424 357681363 /nfs/dbraw/zinc/68/13/63/357681363.db2.gz GEQRETPWWYULRK-UONOGXRCSA-N 2 1 297.403 -0.453 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)Cn1cc(C[NH+]2CCC[C@H]2CO)nn1 ZINC000641221424 357681368 /nfs/dbraw/zinc/68/13/68/357681368.db2.gz GEQRETPWWYULRK-UONOGXRCSA-N 2 1 297.403 -0.453 20 0 CBADMP CC[NH+](C)C[C@@H](O)Cn1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000641221424 357681373 /nfs/dbraw/zinc/68/13/73/357681373.db2.gz GEQRETPWWYULRK-UONOGXRCSA-N 2 1 297.403 -0.453 20 0 CBADMP CC[NH+](C)C[C@@H](O)Cn1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000641221424 357681377 /nfs/dbraw/zinc/68/13/77/357681377.db2.gz GEQRETPWWYULRK-UONOGXRCSA-N 2 1 297.403 -0.453 20 0 CBADMP C[N@@H+](C[C@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1)C1CC1 ZINC000641220945 357681878 /nfs/dbraw/zinc/68/18/78/357681878.db2.gz DLPUVUGHKYQBDF-AWEZNQCLSA-N 2 1 294.403 -0.862 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)Cn1cc(CC[NH+](C)C)nn1 ZINC000641222713 357682427 /nfs/dbraw/zinc/68/24/27/357682427.db2.gz NOGPZWFELYPRKE-GFCCVEGCSA-N 2 1 255.366 -0.305 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccncc2N)CC1 ZINC000641716026 357740262 /nfs/dbraw/zinc/74/02/62/357740262.db2.gz AORCFUJQZRRMJK-UHFFFAOYSA-N 2 1 277.372 -0.083 20 0 CBADMP COc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)on1 ZINC000641796658 357742405 /nfs/dbraw/zinc/74/24/05/357742405.db2.gz GOUFXEWVOQVWKO-SNVBAGLBSA-N 2 1 282.344 -0.030 20 0 CBADMP NS(=O)(=O)CCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000641797605 357742883 /nfs/dbraw/zinc/74/28/83/357742883.db2.gz CYQQYGDWGQDCJF-RYUDHWBXSA-N 2 1 275.418 -0.014 20 0 CBADMP NS(=O)(=O)CCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000641797465 357742933 /nfs/dbraw/zinc/74/29/33/357742933.db2.gz CYQQYGDWGQDCJF-NWDGAFQWSA-N 2 1 275.418 -0.014 20 0 CBADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000641802242 357744372 /nfs/dbraw/zinc/74/43/72/357744372.db2.gz IIWGTZREABNJPD-QWRGUYRKSA-N 2 1 255.362 -0.003 20 0 CBADMP C[C@H](NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)N(C)C ZINC000641803039 357744401 /nfs/dbraw/zinc/74/44/01/357744401.db2.gz CJYAQRDQDAPLLP-LPEHRKFASA-N 2 1 270.377 -0.705 20 0 CBADMP C[C@H](NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)N(C)C ZINC000641803038 357744408 /nfs/dbraw/zinc/74/44/08/357744408.db2.gz CJYAQRDQDAPLLP-IVZWLZJFSA-N 2 1 270.377 -0.705 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641824399 357745688 /nfs/dbraw/zinc/74/56/88/357745688.db2.gz IKLCNUGMOKQLLG-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641824399 357745690 /nfs/dbraw/zinc/74/56/90/357745690.db2.gz IKLCNUGMOKQLLG-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1(C)C ZINC000641824895 357746387 /nfs/dbraw/zinc/74/63/87/357746387.db2.gz NWFKAKPVXHCZKG-LBPRGKRZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1(C)C ZINC000641824895 357746391 /nfs/dbraw/zinc/74/63/91/357746391.db2.gz NWFKAKPVXHCZKG-LBPRGKRZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000641824408 357746454 /nfs/dbraw/zinc/74/64/54/357746454.db2.gz IMXQXXYLRGCNPE-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000641824408 357746457 /nfs/dbraw/zinc/74/64/57/357746457.db2.gz IMXQXXYLRGCNPE-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1(C)C ZINC000641825625 357746599 /nfs/dbraw/zinc/74/65/99/357746599.db2.gz UZSMHMHIJSUOCP-HNNXBMFYSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1(C)C ZINC000641825625 357746600 /nfs/dbraw/zinc/74/66/00/357746600.db2.gz UZSMHMHIJSUOCP-HNNXBMFYSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1(C)C ZINC000641824894 357746614 /nfs/dbraw/zinc/74/66/14/357746614.db2.gz NWFKAKPVXHCZKG-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1(C)C ZINC000641824894 357746615 /nfs/dbraw/zinc/74/66/15/357746615.db2.gz NWFKAKPVXHCZKG-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C[C@H]1[NH3+] ZINC000641825688 357746625 /nfs/dbraw/zinc/74/66/25/357746625.db2.gz WBCNQLCZRZDIFP-GHMZBOCLSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C[C@H]1[NH3+] ZINC000641825688 357746626 /nfs/dbraw/zinc/74/66/26/357746626.db2.gz WBCNQLCZRZDIFP-GHMZBOCLSA-N 2 1 282.388 -0.655 20 0 CBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000642535627 357756207 /nfs/dbraw/zinc/75/62/07/357756207.db2.gz UCNWQYOJWQIRJY-NEPJUHHUSA-N 2 1 294.399 -0.402 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000642640202 357757226 /nfs/dbraw/zinc/75/72/26/357757226.db2.gz OTBZRMDSQYUITL-CHWSQXEVSA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642718547 357759758 /nfs/dbraw/zinc/75/97/58/357759758.db2.gz RRFQAWYDHDNRNA-LOWVWBTDSA-N 2 1 294.399 -0.547 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785775 357761813 /nfs/dbraw/zinc/76/18/13/357761813.db2.gz JGRVXPLJQDUFBH-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000642786035 357761836 /nfs/dbraw/zinc/76/18/36/357761836.db2.gz XWVFNKUCGIZXOC-STQMWFEESA-N 2 1 294.399 -0.545 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785712 357762191 /nfs/dbraw/zinc/76/21/91/357762191.db2.gz DUZUKLQXRWKTSB-QWHCGFSZSA-N 2 1 296.415 -0.314 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000642889882 357764733 /nfs/dbraw/zinc/76/47/33/357764733.db2.gz VCLXEPOZLYCEPJ-GFCCVEGCSA-N 2 1 296.415 -0.025 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[NH3+])CC[N@@H+]1C ZINC000642908931 357767165 /nfs/dbraw/zinc/76/71/65/357767165.db2.gz BTOYNYYJLZMTLQ-QWRGUYRKSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[NH3+])CC[N@H+]1C ZINC000642908931 357767169 /nfs/dbraw/zinc/76/71/69/357767169.db2.gz BTOYNYYJLZMTLQ-QWRGUYRKSA-N 2 1 270.377 -0.752 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC[NH2+]C2CC2)C[C@@H]1C ZINC000642919255 357770235 /nfs/dbraw/zinc/77/02/35/357770235.db2.gz UTAFEVFMDYSAPK-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC[NH2+]C2CC2)C[C@@H]1C ZINC000642919255 357770236 /nfs/dbraw/zinc/77/02/36/357770236.db2.gz UTAFEVFMDYSAPK-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642919656 357770550 /nfs/dbraw/zinc/77/05/50/357770550.db2.gz CTLQJHJSBGIMLJ-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000642940928 357772650 /nfs/dbraw/zinc/77/26/50/357772650.db2.gz IMKZRCARHDXNFI-NWDGAFQWSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000643593051 357791186 /nfs/dbraw/zinc/79/11/86/357791186.db2.gz KUFXJEZTUJQFIA-UHFFFAOYSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000643471885 357784151 /nfs/dbraw/zinc/78/41/51/357784151.db2.gz NWWQRSBXMHBTND-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000643569827 357788368 /nfs/dbraw/zinc/78/83/68/357788368.db2.gz JGLMNXOZKJKLCR-CYBMUJFWSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000643569830 357788891 /nfs/dbraw/zinc/78/88/91/357788891.db2.gz JGLMNXOZKJKLCR-ZDUSSCGKSA-N 2 1 296.415 -0.264 20 0 CBADMP 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 357790005 /nfs/dbraw/zinc/79/00/05/357790005.db2.gz CMVXRSQPQDRKOR-FVCCEPFGSA-N 2 1 294.399 -0.642 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252866189 283349907 /nfs/dbraw/zinc/34/99/07/283349907.db2.gz QDKZPOGPGPLFGO-DCAQKATOSA-N 2 1 268.361 -0.109 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125392983 283356694 /nfs/dbraw/zinc/35/66/94/283356694.db2.gz VIABQYBIVJRXRH-AEJSXWLSSA-N 2 1 254.334 -0.499 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125392983 283356698 /nfs/dbraw/zinc/35/66/98/283356698.db2.gz VIABQYBIVJRXRH-AEJSXWLSSA-N 2 1 254.334 -0.499 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224293520 283360072 /nfs/dbraw/zinc/36/00/72/283360072.db2.gz SARHKQMKJTWZIQ-ZJUUUORDSA-N 2 1 256.350 -0.109 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000340961638 215778784 /nfs/dbraw/zinc/77/87/84/215778784.db2.gz RPSGTXQFEJIORJ-CQSZACIVSA-N 2 1 298.431 -0.101 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000516463179 291151636 /nfs/dbraw/zinc/15/16/36/291151636.db2.gz UCTMMJAZMHBNJP-WOPDTQHZSA-N 2 1 283.372 -0.181 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462884705 291211082 /nfs/dbraw/zinc/21/10/82/291211082.db2.gz RHURBCBZNVWXFD-MGAJPHDKSA-N 2 1 267.373 -0.132 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000342005972 216185851 /nfs/dbraw/zinc/18/58/51/216185851.db2.gz XCODGCFXKZCFLI-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342105118 216219693 /nfs/dbraw/zinc/21/96/93/216219693.db2.gz NUISSJIJVXKRPW-SRVKXCTJSA-N 2 1 275.418 -0.015 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342105118 216219694 /nfs/dbraw/zinc/21/96/94/216219694.db2.gz NUISSJIJVXKRPW-SRVKXCTJSA-N 2 1 275.418 -0.015 20 0 CBADMP CS(=O)(=O)NCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342130832 216230270 /nfs/dbraw/zinc/23/02/70/216230270.db2.gz NYWRXNKTSHMXDP-GARJFASQSA-N 2 1 261.391 -0.405 20 0 CBADMP CS(=O)(=O)NCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342130833 216230324 /nfs/dbraw/zinc/23/03/24/216230324.db2.gz NYWRXNKTSHMXDP-HBNTYKKESA-N 2 1 261.391 -0.405 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372099491 296055556 /nfs/dbraw/zinc/05/55/56/296055556.db2.gz VKBWZYQPAFVEBW-AVGNSLFASA-N 2 1 283.372 -0.968 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370771798 296055504 /nfs/dbraw/zinc/05/55/04/296055504.db2.gz IDQQCUMGICUNAB-DGAVXFQQSA-N 2 1 279.384 -0.083 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367408138 283871254 /nfs/dbraw/zinc/87/12/54/283871254.db2.gz ONLVBEDPGWJPCH-IUCAKERBSA-N 2 1 263.288 -0.570 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000343130514 216668171 /nfs/dbraw/zinc/66/81/71/216668171.db2.gz PLLPQOBWAPIXFO-UONOGXRCSA-N 2 1 282.432 -0.062 20 0 CBADMP COCC[NH+]1CCC([NH2+]C[C@]2(O)CCOC2)CC1 ZINC000330639936 203069605 /nfs/dbraw/zinc/06/96/05/203069605.db2.gz CIIOLEMPWSDISZ-CYBMUJFWSA-N 2 1 258.362 -0.162 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CC[N@H+](C)C1 ZINC000413924031 284113610 /nfs/dbraw/zinc/11/36/10/284113610.db2.gz RWCSUOABHOWTOX-VXGBXAGGSA-N 2 1 283.372 -0.356 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CC[N@@H+](C)C1 ZINC000413924031 284113611 /nfs/dbraw/zinc/11/36/11/284113611.db2.gz RWCSUOABHOWTOX-VXGBXAGGSA-N 2 1 283.372 -0.356 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC[NH+](C)C1 ZINC000413924031 284113612 /nfs/dbraw/zinc/11/36/12/284113612.db2.gz RWCSUOABHOWTOX-VXGBXAGGSA-N 2 1 283.372 -0.356 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC[NH+](C)C1 ZINC000413924031 284113613 /nfs/dbraw/zinc/11/36/13/284113613.db2.gz RWCSUOABHOWTOX-VXGBXAGGSA-N 2 1 283.372 -0.356 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000574336226 335011682 /nfs/dbraw/zinc/01/16/82/335011682.db2.gz LOVHPYXBGVRDPB-SOUVJXGZSA-N 2 1 285.432 -0.049 20 0 CBADMP O=C([C@H]1COCC[NH2+]1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000353424513 296139069 /nfs/dbraw/zinc/13/90/69/296139069.db2.gz PNJRJHLYKYPZLY-QWHCGFSZSA-N 2 1 267.373 -0.177 20 0 CBADMP CN(CCC[N@@H+](C)CCN1C(=O)CNC1=O)CC[NH+](C)C ZINC000344035388 217020021 /nfs/dbraw/zinc/02/00/21/217020021.db2.gz SACAKHRFUSMUIE-UHFFFAOYSA-N 2 1 299.419 -0.647 20 0 CBADMP CN(CCC[N@@H+](C)CCN1CCNC1=O)CC[NH+](C)C ZINC000344063329 217031737 /nfs/dbraw/zinc/03/17/37/217031737.db2.gz NLCDVBIZEHIGJK-UHFFFAOYSA-N 2 1 285.436 -0.173 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000344088978 217045380 /nfs/dbraw/zinc/04/53/80/217045380.db2.gz LCHDSLJSNICPSH-VXGBXAGGSA-N 2 1 255.362 -0.227 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000344088978 217045383 /nfs/dbraw/zinc/04/53/83/217045383.db2.gz LCHDSLJSNICPSH-VXGBXAGGSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000344212852 217101486 /nfs/dbraw/zinc/10/14/86/217101486.db2.gz OFOKZHWPPADPRR-UPJWGTAASA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000344212852 217101488 /nfs/dbraw/zinc/10/14/88/217101488.db2.gz OFOKZHWPPADPRR-UPJWGTAASA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000344212852 217101494 /nfs/dbraw/zinc/10/14/94/217101494.db2.gz OFOKZHWPPADPRR-UPJWGTAASA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000344212852 217101497 /nfs/dbraw/zinc/10/14/97/217101497.db2.gz OFOKZHWPPADPRR-UPJWGTAASA-N 2 1 268.405 -0.134 20 0 CBADMP CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000344394666 217178597 /nfs/dbraw/zinc/17/85/97/217178597.db2.gz RAISTSJQYGTAPK-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000344394666 217178599 /nfs/dbraw/zinc/17/85/99/217178599.db2.gz RAISTSJQYGTAPK-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000333146227 205067220 /nfs/dbraw/zinc/06/72/20/205067220.db2.gz DQKHUQAWLCGRJZ-MCIONIFRSA-N 2 1 296.415 -0.042 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000333146232 205069882 /nfs/dbraw/zinc/06/98/82/205069882.db2.gz DQKHUQAWLCGRJZ-RDBSUJKOSA-N 2 1 296.415 -0.042 20 0 CBADMP CN1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C(C)(C)C1=O ZINC000094865895 372776046 /nfs/dbraw/zinc/77/60/46/372776046.db2.gz KMDOXOIOTVKPOG-UHFFFAOYSA-N 2 1 282.388 -0.639 20 0 CBADMP CN1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C(C)(C)C1=O ZINC000094865895 372776051 /nfs/dbraw/zinc/77/60/51/372776051.db2.gz KMDOXOIOTVKPOG-UHFFFAOYSA-N 2 1 282.388 -0.639 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000158227118 372811400 /nfs/dbraw/zinc/81/14/00/372811400.db2.gz FGAVBOQVJLKAIQ-CYBMUJFWSA-N 2 1 268.405 -0.036 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000172199881 372831612 /nfs/dbraw/zinc/83/16/12/372831612.db2.gz UFNHYABDXTZQHG-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000172199881 372831622 /nfs/dbraw/zinc/83/16/22/372831622.db2.gz UFNHYABDXTZQHG-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000353473766 220102885 /nfs/dbraw/zinc/10/28/85/220102885.db2.gz VFMUCMUTWJYWAJ-MNOVXSKESA-N 2 1 259.350 -0.813 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)C[C@H]1C ZINC000262446197 372909423 /nfs/dbraw/zinc/90/94/23/372909423.db2.gz VLBWPTBBURUMRS-WOPDTQHZSA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)C[C@H]1C ZINC000262446197 372909430 /nfs/dbraw/zinc/90/94/30/372909430.db2.gz VLBWPTBBURUMRS-WOPDTQHZSA-N 2 1 269.389 -0.245 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000262766263 372911390 /nfs/dbraw/zinc/91/13/90/372911390.db2.gz ATYZMCBEXLZTHS-FRRDWIJNSA-N 2 1 285.388 -0.471 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH2+]CCO2)C[N@H+]1C1CC1 ZINC000333367110 205258104 /nfs/dbraw/zinc/25/81/04/205258104.db2.gz LXVWWDMXXANOPV-NTZNESFSSA-N 2 1 282.388 -0.101 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000331878238 373000336 /nfs/dbraw/zinc/00/03/36/373000336.db2.gz NHZZXTCXLYPAFU-GFCCVEGCSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000331878238 373000343 /nfs/dbraw/zinc/00/03/43/373000343.db2.gz NHZZXTCXLYPAFU-GFCCVEGCSA-N 2 1 296.415 -0.217 20 0 CBADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000332669236 373005020 /nfs/dbraw/zinc/00/50/20/373005020.db2.gz RKSHPLMQXZMRSH-VXGBXAGGSA-N 2 1 280.372 -0.757 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[C@@H]21 ZINC000332725702 373005745 /nfs/dbraw/zinc/00/57/45/373005745.db2.gz PSZSITMGZYRCDL-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000335301724 373019341 /nfs/dbraw/zinc/01/93/41/373019341.db2.gz YYFSVYZMMVGROL-SECBINFHSA-N 2 1 262.304 -0.059 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343995326 373053907 /nfs/dbraw/zinc/05/39/07/373053907.db2.gz YPAAMQCFTRONAG-RRFJBIMHSA-N 2 1 285.432 -0.049 20 0 CBADMP C[C@@H](O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000345145576 373061682 /nfs/dbraw/zinc/06/16/82/373061682.db2.gz ARPKNDFXCRKWQU-LLVKDONJSA-N 2 1 257.378 -0.148 20 0 CBADMP CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000333508489 205387023 /nfs/dbraw/zinc/38/70/23/205387023.db2.gz XFQQLTOJLXGDLE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000333508489 205387028 /nfs/dbraw/zinc/38/70/28/205387028.db2.gz XFQQLTOJLXGDLE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@H+]1C ZINC000333508489 205387033 /nfs/dbraw/zinc/38/70/33/205387033.db2.gz XFQQLTOJLXGDLE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](CNC(=O)CNC(=O)C[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000347669013 373073825 /nfs/dbraw/zinc/07/38/25/373073825.db2.gz MGXYFSKUNQVRFF-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCSC)C1 ZINC000353581234 220172590 /nfs/dbraw/zinc/17/25/90/220172590.db2.gz NJKDIMSOWOEYBI-GHMZBOCLSA-N 2 1 275.418 -0.096 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000353582757 220171453 /nfs/dbraw/zinc/17/14/53/220171453.db2.gz RUWGWXFYLUGVQH-LBPRGKRZSA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CSCN3)CC2)C1 ZINC000361709996 373327820 /nfs/dbraw/zinc/32/78/20/373327820.db2.gz BEERKTQOEIKBIH-STQMWFEESA-N 2 1 298.456 -0.113 20 0 CBADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)C1 ZINC000361709996 373327829 /nfs/dbraw/zinc/32/78/29/373327829.db2.gz BEERKTQOEIKBIH-STQMWFEESA-N 2 1 298.456 -0.113 20 0 CBADMP CCC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000353600692 220184188 /nfs/dbraw/zinc/18/41/88/220184188.db2.gz XNXIUCFRTHEVBV-NWDGAFQWSA-N 2 1 284.404 -0.183 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000362069624 373364379 /nfs/dbraw/zinc/36/43/79/373364379.db2.gz UPUJZEWRJJOXNS-ZIAGYGMSSA-N 2 1 297.447 -0.175 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000362516574 373420736 /nfs/dbraw/zinc/42/07/36/373420736.db2.gz QRPHYAKBAPTAQY-STQMWFEESA-N 2 1 268.405 -0.452 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000362516571 373421974 /nfs/dbraw/zinc/42/19/74/373421974.db2.gz QRPHYAKBAPTAQY-CHWSQXEVSA-N 2 1 268.405 -0.452 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000362763876 373444018 /nfs/dbraw/zinc/44/40/18/373444018.db2.gz WZWRGWHMEUCJQX-RDBSUJKOSA-N 2 1 282.432 -0.064 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362763854 373445155 /nfs/dbraw/zinc/44/51/55/373445155.db2.gz WTTKQXRTKJGJIP-OLZOCXBDSA-N 2 1 269.389 -0.025 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362763854 373445161 /nfs/dbraw/zinc/44/51/61/373445161.db2.gz WTTKQXRTKJGJIP-OLZOCXBDSA-N 2 1 269.389 -0.025 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000362883395 373458835 /nfs/dbraw/zinc/45/88/35/373458835.db2.gz QZLZFOMUPXAISL-XQHKEYJVSA-N 2 1 267.373 -0.275 20 0 CBADMP C[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000363569120 373498186 /nfs/dbraw/zinc/49/81/86/373498186.db2.gz KAXNBFPRDLVKDD-OLZOCXBDSA-N 2 1 282.388 -0.193 20 0 CBADMP C[NH+]1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000363569120 373498194 /nfs/dbraw/zinc/49/81/94/373498194.db2.gz KAXNBFPRDLVKDD-OLZOCXBDSA-N 2 1 282.388 -0.193 20 0 CBADMP C[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000363569119 373498345 /nfs/dbraw/zinc/49/83/45/373498345.db2.gz KAXNBFPRDLVKDD-CHWSQXEVSA-N 2 1 282.388 -0.193 20 0 CBADMP C[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000363569119 373498350 /nfs/dbraw/zinc/49/83/50/373498350.db2.gz KAXNBFPRDLVKDD-CHWSQXEVSA-N 2 1 282.388 -0.193 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399020668 373584509 /nfs/dbraw/zinc/58/45/09/373584509.db2.gz HYBQESNMEVCBCW-RYUDHWBXSA-N 2 1 254.378 -0.524 20 0 CBADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353640612 220213247 /nfs/dbraw/zinc/21/32/47/220213247.db2.gz BGYOUONUNVGVTC-UWVGGRQHSA-N 2 1 256.350 -0.820 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353640612 220213248 /nfs/dbraw/zinc/21/32/48/220213248.db2.gz BGYOUONUNVGVTC-UWVGGRQHSA-N 2 1 256.350 -0.820 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)NCCCCC[NH+]1CCCCC1 ZINC000353644169 220217168 /nfs/dbraw/zinc/21/71/68/220217168.db2.gz RTHIYNQKKUYDDU-LBPRGKRZSA-N 2 1 284.404 -0.039 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333759365 205677414 /nfs/dbraw/zinc/67/74/14/205677414.db2.gz AGEMDHCHVKGRMJ-RWMBFGLXSA-N 2 1 284.404 -0.165 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)NCC(C)(C)[NH3+] ZINC000417086388 373625345 /nfs/dbraw/zinc/62/53/45/373625345.db2.gz CROWHBJSPIGTBQ-UHFFFAOYSA-N 2 1 260.382 -0.009 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000417448051 373627793 /nfs/dbraw/zinc/62/77/93/373627793.db2.gz SRYCLNCTKPQHTF-NWDGAFQWSA-N 2 1 272.393 -0.044 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417438627 373627895 /nfs/dbraw/zinc/62/78/95/373627895.db2.gz JXSRRDQQMYMZSC-NSHDSACASA-N 2 1 258.366 -0.399 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417096212 373627911 /nfs/dbraw/zinc/62/79/11/373627911.db2.gz VTKXABMMWKTQOD-GHMZBOCLSA-N 2 1 260.382 -0.010 20 0 CBADMP [NH3+]C[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000418405946 373631690 /nfs/dbraw/zinc/63/16/90/373631690.db2.gz RTNDMBUQXPXNSB-OLZOCXBDSA-N 2 1 284.404 -0.130 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419032918 373634903 /nfs/dbraw/zinc/63/49/03/373634903.db2.gz XPXVZSCFEAXUMU-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000418763686 373636213 /nfs/dbraw/zinc/63/62/13/373636213.db2.gz NDDOONCREGWHLB-AAEUAGOBSA-N 2 1 287.383 -0.767 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCC[N@H+]1C ZINC000419538917 373638339 /nfs/dbraw/zinc/63/83/39/373638339.db2.gz AKSYXKULUXRDCZ-UPJWGTAASA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419783819 373639900 /nfs/dbraw/zinc/63/99/00/373639900.db2.gz VQMLKNJBVDTBEX-RYUDHWBXSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC[N@@H+]1C ZINC000420007153 373645954 /nfs/dbraw/zinc/64/59/54/373645954.db2.gz SBLDXFJUCVXIND-VXGBXAGGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC[N@H+]1C ZINC000420007153 373645963 /nfs/dbraw/zinc/64/59/63/373645963.db2.gz SBLDXFJUCVXIND-VXGBXAGGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000419982509 373647070 /nfs/dbraw/zinc/64/70/70/373647070.db2.gz SZQTUUGLDVHWFG-JHJVBQTASA-N 2 1 296.415 -0.362 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)C(C)C ZINC000420103306 373648690 /nfs/dbraw/zinc/64/86/90/373648690.db2.gz PGIKMFMWANTQAD-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423236955 373655216 /nfs/dbraw/zinc/65/52/16/373655216.db2.gz HQCSABNFAJPSCS-LBPRGKRZSA-N 2 1 298.431 -0.018 20 0 CBADMP CN(C(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000423273629 373655889 /nfs/dbraw/zinc/65/58/89/373655889.db2.gz LFXLXJWDGVMOFV-YPMHNXCESA-N 2 1 294.399 -0.369 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000423625001 373660057 /nfs/dbraw/zinc/66/00/57/373660057.db2.gz CIWNPKANEDCIMF-RVMXOQNASA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000423625001 373660065 /nfs/dbraw/zinc/66/00/65/373660065.db2.gz CIWNPKANEDCIMF-RVMXOQNASA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H](C)[N@H+]1C ZINC000423651447 373661029 /nfs/dbraw/zinc/66/10/29/373661029.db2.gz VXFABERRJXDXCG-GRYCIOLGSA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000423651447 373661035 /nfs/dbraw/zinc/66/10/35/373661035.db2.gz VXFABERRJXDXCG-GRYCIOLGSA-N 2 1 282.388 -0.513 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000424044277 373662780 /nfs/dbraw/zinc/66/27/80/373662780.db2.gz INFWWPKDCUFEGY-XQQFMLRXSA-N 2 1 283.372 -0.705 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000424044277 373662788 /nfs/dbraw/zinc/66/27/88/373662788.db2.gz INFWWPKDCUFEGY-XQQFMLRXSA-N 2 1 283.372 -0.705 20 0 CBADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430934481 373675205 /nfs/dbraw/zinc/67/52/05/373675205.db2.gz OZAZJVDDGGONTL-UWVGGRQHSA-N 2 1 256.350 -0.110 20 0 CBADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430934481 373675211 /nfs/dbraw/zinc/67/52/11/373675211.db2.gz OZAZJVDDGGONTL-UWVGGRQHSA-N 2 1 256.350 -0.110 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000430793888 373675341 /nfs/dbraw/zinc/67/53/41/373675341.db2.gz NLTGBCOHIQSVHJ-UHFFFAOYSA-N 2 1 296.415 -0.120 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000431004165 373675591 /nfs/dbraw/zinc/67/55/91/373675591.db2.gz INEGPWUNWICKKJ-STQMWFEESA-N 2 1 284.404 -0.883 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000434455440 373677718 /nfs/dbraw/zinc/67/77/18/373677718.db2.gz ZHVYYBAJJIKPBO-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000434455440 373677725 /nfs/dbraw/zinc/67/77/25/373677725.db2.gz ZHVYYBAJJIKPBO-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000487168355 373697061 /nfs/dbraw/zinc/69/70/61/373697061.db2.gz ZWBMIZHGCQGYDR-NTZNESFSSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000487168355 373697067 /nfs/dbraw/zinc/69/70/67/373697067.db2.gz ZWBMIZHGCQGYDR-NTZNESFSSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000487168355 373697075 /nfs/dbraw/zinc/69/70/75/373697075.db2.gz ZWBMIZHGCQGYDR-NTZNESFSSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)/C=C/C[NH+](C)C ZINC000493800886 373730287 /nfs/dbraw/zinc/73/02/87/373730287.db2.gz DBQSAEODGCIAEY-ITKZLYELSA-N 2 1 255.362 -0.371 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)/C=C/C[NH+](C)C ZINC000493800886 373730296 /nfs/dbraw/zinc/73/02/96/373730296.db2.gz DBQSAEODGCIAEY-ITKZLYELSA-N 2 1 255.362 -0.371 20 0 CBADMP CC(C)[C@@H]1CN(C)CCN1C(=O)CN1CCNCC1=O ZINC000514604951 373757128 /nfs/dbraw/zinc/75/71/28/373757128.db2.gz KBYWQWPXONLEGG-LBPRGKRZSA-N 2 1 282.388 -0.783 20 0 CBADMP CCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000353666862 220239273 /nfs/dbraw/zinc/23/92/73/220239273.db2.gz DEOALIGGQGVSKT-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N1CCCC1 ZINC000519827953 373825138 /nfs/dbraw/zinc/82/51/38/373825138.db2.gz RHRFLWIMBYIAPH-CYBMUJFWSA-N 2 1 296.415 -0.072 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N1CCCC1 ZINC000519827953 373825149 /nfs/dbraw/zinc/82/51/49/373825149.db2.gz RHRFLWIMBYIAPH-CYBMUJFWSA-N 2 1 296.415 -0.072 20 0 CBADMP CC1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[NH2+]C1 ZINC000520806547 373835570 /nfs/dbraw/zinc/83/55/70/373835570.db2.gz VRKMEQGTBUUYGM-JTQLQIEISA-N 2 1 268.361 -0.948 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000515380722 373786903 /nfs/dbraw/zinc/78/69/03/373786903.db2.gz FOHUDEQIDIRALM-PWSUYJOCSA-N 2 1 292.387 -0.161 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529354181 374011267 /nfs/dbraw/zinc/01/12/67/374011267.db2.gz JUEQARZSUSBKFB-AAEUAGOBSA-N 2 1 282.388 -0.363 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529376198 374017884 /nfs/dbraw/zinc/01/78/84/374017884.db2.gz QHLVZNPCCPMNRP-QWHCGFSZSA-N 2 1 284.404 -0.044 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528755769 373983661 /nfs/dbraw/zinc/98/36/61/373983661.db2.gz UXTOERANRWGBFM-MELADBBJSA-N 2 1 274.405 -0.388 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528755769 373983665 /nfs/dbraw/zinc/98/36/65/373983665.db2.gz UXTOERANRWGBFM-MELADBBJSA-N 2 1 274.405 -0.388 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528755769 373983673 /nfs/dbraw/zinc/98/36/73/373983673.db2.gz UXTOERANRWGBFM-MELADBBJSA-N 2 1 274.405 -0.388 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528755769 373983681 /nfs/dbraw/zinc/98/36/81/373983681.db2.gz UXTOERANRWGBFM-MELADBBJSA-N 2 1 274.405 -0.388 20 0 CBADMP COC[C@H](C)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530221980 374066695 /nfs/dbraw/zinc/06/66/95/374066695.db2.gz JCLYRSXWSBWRLH-LBPRGKRZSA-N 2 1 270.377 -0.336 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000531435540 374133450 /nfs/dbraw/zinc/13/34/50/374133450.db2.gz VFIYINHKHRUTNR-GXTWGEPZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000531435540 374133455 /nfs/dbraw/zinc/13/34/55/374133455.db2.gz VFIYINHKHRUTNR-GXTWGEPZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000531975434 374155818 /nfs/dbraw/zinc/15/58/18/374155818.db2.gz IOEXPQLUMJAGEI-ZDUSSCGKSA-N 2 1 279.388 -0.043 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCO ZINC000548313337 374193571 /nfs/dbraw/zinc/19/35/71/374193571.db2.gz FETNUSXSIUVVIA-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCO ZINC000548313337 374193579 /nfs/dbraw/zinc/19/35/79/374193579.db2.gz FETNUSXSIUVVIA-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCO ZINC000548313337 374193584 /nfs/dbraw/zinc/19/35/84/374193584.db2.gz FETNUSXSIUVVIA-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCO ZINC000548313337 374193591 /nfs/dbraw/zinc/19/35/91/374193591.db2.gz FETNUSXSIUVVIA-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCO ZINC000548313337 374193595 /nfs/dbraw/zinc/19/35/95/374193595.db2.gz FETNUSXSIUVVIA-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1CCNC(=O)[C@H]1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000554946416 374285676 /nfs/dbraw/zinc/28/56/76/374285676.db2.gz JDWJDBGZQYKUKM-USWWRNFRSA-N 2 1 255.362 -0.444 20 0 CBADMP CC[N@H+](C)C[C@@H](O)CN1CCN(c2[nH+]ccn2C)CC1 ZINC000562477647 374319306 /nfs/dbraw/zinc/31/93/06/374319306.db2.gz OIEZSWWXJIGQSF-CYBMUJFWSA-N 2 1 281.404 -0.145 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCN(c2[nH+]ccn2C)CC1 ZINC000562477647 374319311 /nfs/dbraw/zinc/31/93/11/374319311.db2.gz OIEZSWWXJIGQSF-CYBMUJFWSA-N 2 1 281.404 -0.145 20 0 CBADMP CCOCC[NH+]1CCN(C[C@@](C)(O)C[NH2+]C)CC1 ZINC000563726275 374324866 /nfs/dbraw/zinc/32/48/66/374324866.db2.gz ZHRWWDQQCMLUQE-ZDUSSCGKSA-N 2 1 259.394 -0.389 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000577769206 374338968 /nfs/dbraw/zinc/33/89/68/374338968.db2.gz CZTIEBFMYDWUEP-UTUOFQBUSA-N 2 1 270.377 -0.555 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CC[NH2+]C2CC2)C1 ZINC000577866161 374341959 /nfs/dbraw/zinc/34/19/59/374341959.db2.gz ZZXWXNWDOGQFEC-LBPRGKRZSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000583753371 374364663 /nfs/dbraw/zinc/36/46/63/374364663.db2.gz XMCIJFBIJVQGTN-SRVKXCTJSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC[C@H]21 ZINC000584470996 374375019 /nfs/dbraw/zinc/37/50/19/374375019.db2.gz SERKJCKZHUJQAI-YVECIDJPSA-N 2 1 267.373 -0.348 20 0 CBADMP CC[C@H](O)C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000644569607 374597606 /nfs/dbraw/zinc/59/76/06/374597606.db2.gz DMUXHAMLEZNJJK-KBPBESRZSA-N 2 1 271.405 -0.247 20 0 CBADMP CCNC(=O)N1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000644595247 374600469 /nfs/dbraw/zinc/60/04/69/374600469.db2.gz IZZJOLBSQAMZLL-WCQYABFASA-N 2 1 284.404 -0.165 20 0 CBADMP CCNC(=O)N1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644595247 374600473 /nfs/dbraw/zinc/60/04/73/374600473.db2.gz IZZJOLBSQAMZLL-WCQYABFASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCOCC[NH3+] ZINC000357081665 296220057 /nfs/dbraw/zinc/22/00/57/296220057.db2.gz WGHQKUNLUAREDV-UWVGGRQHSA-N 2 1 252.380 -0.285 20 0 CBADMP C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCOCC[NH3+] ZINC000357081665 296220059 /nfs/dbraw/zinc/22/00/59/296220059.db2.gz WGHQKUNLUAREDV-UWVGGRQHSA-N 2 1 252.380 -0.285 20 0 CBADMP C[N@@H+]1C[C@@H]2CCN(CC(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000644729791 374615445 /nfs/dbraw/zinc/61/54/45/374615445.db2.gz GWPPEJPMFDJHTA-QWHCGFSZSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@H+]1C[C@@H]2CCN(CC(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000644729791 374615450 /nfs/dbraw/zinc/61/54/50/374615450.db2.gz GWPPEJPMFDJHTA-QWHCGFSZSA-N 2 1 266.389 -0.604 20 0 CBADMP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000646208006 374755564 /nfs/dbraw/zinc/75/55/64/374755564.db2.gz PHUDZXJBDZYGDD-CMPLNLGQSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000646215493 374759074 /nfs/dbraw/zinc/75/90/74/374759074.db2.gz OMPHFPGCVSLAQW-UTUOFQBUSA-N 2 1 272.393 -0.180 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000645951641 374716671 /nfs/dbraw/zinc/71/66/71/374716671.db2.gz SATMMSDEGDRZQE-SDDRHHMPSA-N 2 1 255.362 -0.179 20 0 CBADMP O=C(CCOC1C[NH2+]C1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953212 374717681 /nfs/dbraw/zinc/71/76/81/374717681.db2.gz IUOQINKEZPRLGR-LBPRGKRZSA-N 2 1 267.373 -0.035 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000645962123 374719072 /nfs/dbraw/zinc/71/90/72/374719072.db2.gz FHRMNMLSFFYZGE-UHFFFAOYSA-N 2 1 259.350 -0.858 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645966022 374721013 /nfs/dbraw/zinc/72/10/13/374721013.db2.gz OPFMSACKBUKNDF-MNOVXSKESA-N 2 1 254.378 -0.654 20 0 CBADMP CC[C@@H]([NH3+])C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000646002863 374724324 /nfs/dbraw/zinc/72/43/24/374724324.db2.gz HTNNIGDGAPAWLK-QWHCGFSZSA-N 2 1 268.405 -0.038 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)COCC[NH3+])CC2)C1 ZINC000646002756 374724355 /nfs/dbraw/zinc/72/43/55/374724355.db2.gz BSWZBVQHRLJCCO-CYBMUJFWSA-N 2 1 284.404 -0.800 20 0 CBADMP C[C@@H]([NH3+])CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000646003144 374724593 /nfs/dbraw/zinc/72/45/93/374724593.db2.gz UKCFQNLKAZEZFE-CHWSQXEVSA-N 2 1 268.405 -0.038 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C[NH2+]C3CC3)CC2)C1 ZINC000646002718 374725014 /nfs/dbraw/zinc/72/50/14/374725014.db2.gz AFAQOSFVCAYUAP-AWEZNQCLSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009357 374727211 /nfs/dbraw/zinc/72/72/11/374727211.db2.gz DXNQQVNRCCRSIR-MELADBBJSA-N 2 1 298.431 -0.508 20 0 CBADMP CC1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[NH2+]C1 ZINC000646009616 374727848 /nfs/dbraw/zinc/72/78/48/374727848.db2.gz XEWVKQVIBUENPF-CYBMUJFWSA-N 2 1 296.415 -0.881 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)CN1CC[NH+](C)CC1 ZINC000646108723 374740282 /nfs/dbraw/zinc/74/02/82/374740282.db2.gz XGYMUPKKOYOXOH-OLZOCXBDSA-N 2 1 282.432 -0.016 20 0 CBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)COCC[NH3+] ZINC000646263041 374764362 /nfs/dbraw/zinc/76/43/62/374764362.db2.gz OWJDLHGIOYGIMI-UHFFFAOYSA-N 2 1 287.404 -0.222 20 0 CBADMP COCC[NH2+]CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000646503715 374782384 /nfs/dbraw/zinc/78/23/84/374782384.db2.gz NXLQVGPNEPVPNP-UHFFFAOYSA-N 2 1 259.350 -0.939 20 0 CBADMP COCC[NH2+]CC(=O)NCC[N@H+]1CCCOCC1 ZINC000646503715 374782387 /nfs/dbraw/zinc/78/23/87/374782387.db2.gz NXLQVGPNEPVPNP-UHFFFAOYSA-N 2 1 259.350 -0.939 20 0 CBADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[NH+](C)CC3)C2)C1 ZINC000647034623 374866844 /nfs/dbraw/zinc/86/68/44/374866844.db2.gz DBLSPOGWABBULA-OAHLLOKOSA-N 2 1 280.416 -0.212 20 0 CBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[NH+](C)CC3)C2)C1 ZINC000647034623 374866852 /nfs/dbraw/zinc/86/68/52/374866852.db2.gz DBLSPOGWABBULA-OAHLLOKOSA-N 2 1 280.416 -0.212 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)C1 ZINC000646913364 374839993 /nfs/dbraw/zinc/83/99/93/374839993.db2.gz DQSHKZZEZWVFGF-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)C1 ZINC000646913364 374839995 /nfs/dbraw/zinc/83/99/95/374839995.db2.gz DQSHKZZEZWVFGF-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)C1 ZINC000646913364 374839996 /nfs/dbraw/zinc/83/99/96/374839996.db2.gz DQSHKZZEZWVFGF-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC000646913364 374839999 /nfs/dbraw/zinc/83/99/99/374839999.db2.gz DQSHKZZEZWVFGF-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000646917851 374841923 /nfs/dbraw/zinc/84/19/23/374841923.db2.gz ITTREFAHDGBQML-UONOGXRCSA-N 2 1 280.416 -0.214 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000646974912 374854079 /nfs/dbraw/zinc/85/40/79/374854079.db2.gz LZINHZKOMFMTFS-RWMBFGLXSA-N 2 1 294.399 -0.593 20 0 CBADMP [NH3+]CC(=O)NCC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000262381884 190053907 /nfs/dbraw/zinc/05/39/07/190053907.db2.gz KQEZZBHQKRWNRD-UHFFFAOYSA-N 2 1 296.396 -0.703 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)C[NH+]1CCOCC1 ZINC000357205232 248335612 /nfs/dbraw/zinc/33/56/12/248335612.db2.gz VAAFEDXZGMNKRS-CHWSQXEVSA-N 2 1 285.388 -0.551 20 0 CBADMP C[C@@H](C(=O)N1CCCC1)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000357076828 248319615 /nfs/dbraw/zinc/31/96/15/248319615.db2.gz PMXVFUYNACZNLH-AWEZNQCLSA-N 2 1 298.431 -0.410 20 0 CBADMP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000357093597 248321186 /nfs/dbraw/zinc/32/11/86/248321186.db2.gz WWCBIEYXHWAYKF-CHWSQXEVSA-N 2 1 267.373 -0.223 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000357093597 248321189 /nfs/dbraw/zinc/32/11/89/248321189.db2.gz WWCBIEYXHWAYKF-CHWSQXEVSA-N 2 1 267.373 -0.223 20 0 CBADMP Cc1nc(CN2CC[NH+](CCOCC[NH3+])CC2)no1 ZINC000357089381 248322345 /nfs/dbraw/zinc/32/23/45/248322345.db2.gz PMTYKIAYMNHREU-UHFFFAOYSA-N 2 1 269.349 -0.529 20 0 CBADMP Cc1cnn(C[C@H]2C[N@H+](CCOCC[NH3+])CCO2)c1 ZINC000357093558 248322800 /nfs/dbraw/zinc/32/28/00/248322800.db2.gz WOWLJFJANAGDQE-CYBMUJFWSA-N 2 1 268.361 -0.132 20 0 CBADMP Cc1cnn(C[C@H]2C[N@@H+](CCOCC[NH3+])CCO2)c1 ZINC000357093558 248322804 /nfs/dbraw/zinc/32/28/04/248322804.db2.gz WOWLJFJANAGDQE-CYBMUJFWSA-N 2 1 268.361 -0.132 20 0 CBADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000357093602 248322995 /nfs/dbraw/zinc/32/29/95/248322995.db2.gz WWCBIEYXHWAYKF-QWHCGFSZSA-N 2 1 267.373 -0.223 20 0 CBADMP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000357093602 248323002 /nfs/dbraw/zinc/32/30/02/248323002.db2.gz WWCBIEYXHWAYKF-QWHCGFSZSA-N 2 1 267.373 -0.223 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000357243079 248337494 /nfs/dbraw/zinc/33/74/94/248337494.db2.gz PYLFDCUVCVZTLT-VXGBXAGGSA-N 2 1 271.361 -0.798 20 0 CBADMP C[C@H](CNC(=O)[C@H](C)C[NH3+])CN1CC[NH+](C)CC1 ZINC000357240095 248338563 /nfs/dbraw/zinc/33/85/63/248338563.db2.gz JEWBFGBOFLASHH-VXGBXAGGSA-N 2 1 256.394 -0.419 20 0 CBADMP C[C@@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000357249353 248339515 /nfs/dbraw/zinc/33/95/15/248339515.db2.gz SEMRDJANRNHQFP-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C2(COC)CC[NH2+]CC2)C1 ZINC000369100544 248776158 /nfs/dbraw/zinc/77/61/58/248776158.db2.gz PQGPKPPLNVOVEP-CYBMUJFWSA-N 2 1 299.415 -0.161 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000574661205 335038121 /nfs/dbraw/zinc/03/81/21/335038121.db2.gz OZAHFCWKFSLBAL-AAEUAGOBSA-N 2 1 257.378 -0.243 20 0 CBADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(=O)n(C)c1=O ZINC000346863707 218041312 /nfs/dbraw/zinc/04/13/12/218041312.db2.gz XYUWUDZNQNBZEI-UHTWSYAYSA-N 2 1 292.383 -0.357 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)C[NH3+])C[C@H]1C ZINC000347607517 218289538 /nfs/dbraw/zinc/28/95/38/218289538.db2.gz CBSSKKOKLXTSNO-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000353707009 220271087 /nfs/dbraw/zinc/27/10/87/220271087.db2.gz GXTJEQMTRZGTBR-NWDGAFQWSA-N 2 1 282.388 -0.430 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000353707009 220271089 /nfs/dbraw/zinc/27/10/89/220271089.db2.gz GXTJEQMTRZGTBR-NWDGAFQWSA-N 2 1 282.388 -0.430 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CCC[N@H+]1C ZINC000347767401 218349114 /nfs/dbraw/zinc/34/91/14/218349114.db2.gz UTOCKTPUKKLIFT-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[N@H+](CCO)CCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000347811685 218367036 /nfs/dbraw/zinc/36/70/36/218367036.db2.gz TZZFYYWGILDNAR-ZDUSSCGKSA-N 2 1 286.420 -0.947 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000347811685 218367037 /nfs/dbraw/zinc/36/70/37/218367037.db2.gz TZZFYYWGILDNAR-ZDUSSCGKSA-N 2 1 286.420 -0.947 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000167263724 207397084 /nfs/dbraw/zinc/39/70/84/207397084.db2.gz WTRGCUGZXPEUPC-CHWSQXEVSA-N 2 1 285.388 -0.408 20 0 CBADMP CN1CC[NH2+]C[C@H]1CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000574787316 335047278 /nfs/dbraw/zinc/04/72/78/335047278.db2.gz UPTQXQCAINCLRW-ZDUSSCGKSA-N 2 1 281.404 -0.549 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)N(CC[NH3+])CCO ZINC000417809855 207565317 /nfs/dbraw/zinc/56/53/17/207565317.db2.gz HUEUSLKSTFZRAI-UHFFFAOYSA-N 2 1 260.382 -0.319 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000349024885 285020581 /nfs/dbraw/zinc/02/05/81/285020581.db2.gz FVGHUWDXCRKQSD-GFCCVEGCSA-N 2 1 285.388 -0.408 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]2(CCOC)CC[NH2+]C2)C1 ZINC000376720045 532985913 /nfs/dbraw/zinc/98/59/13/532985913.db2.gz KEQKDVLOSLPJNM-ZFWWWQNUSA-N 2 1 299.415 -0.161 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH3+] ZINC000417570843 285034064 /nfs/dbraw/zinc/03/40/64/285034064.db2.gz SGQICAOHTGHGHV-NSHDSACASA-N 2 1 258.366 -0.255 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000423704917 207929120 /nfs/dbraw/zinc/92/91/20/207929120.db2.gz GGOOXPXHVPUHII-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425389369 208019648 /nfs/dbraw/zinc/01/96/48/208019648.db2.gz POXKYVRCZHWSMI-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(=O)n(C)c1=O ZINC000427132130 208054957 /nfs/dbraw/zinc/05/49/57/208054957.db2.gz ZHEQZCBNCTUWFW-PWSUYJOCSA-N 2 1 278.356 -0.732 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(=O)n(C)c1=O ZINC000427132130 208054964 /nfs/dbraw/zinc/05/49/64/208054964.db2.gz ZHEQZCBNCTUWFW-PWSUYJOCSA-N 2 1 278.356 -0.732 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000427270792 208057559 /nfs/dbraw/zinc/05/75/59/208057559.db2.gz XZCJLJPGXDTFKU-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427779101 208069918 /nfs/dbraw/zinc/06/99/18/208069918.db2.gz HCTMIJPAJMVNIC-MELADBBJSA-N 2 1 281.400 -0.025 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000428981220 208106263 /nfs/dbraw/zinc/10/62/63/208106263.db2.gz QCTOGZPLDXBOJO-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP O=C(COC1C[NH2+]C1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430715993 208174769 /nfs/dbraw/zinc/17/47/69/208174769.db2.gz RNXVFIZMIXFRRM-JTQLQIEISA-N 2 1 253.346 -0.425 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430573234 208164603 /nfs/dbraw/zinc/16/46/03/208164603.db2.gz LFUDRIIYNHJYFS-QWRGUYRKSA-N 2 1 263.407 -0.015 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430573234 208164608 /nfs/dbraw/zinc/16/46/08/208164608.db2.gz LFUDRIIYNHJYFS-QWRGUYRKSA-N 2 1 263.407 -0.015 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430573228 208165201 /nfs/dbraw/zinc/16/52/01/208165201.db2.gz LFUDRIIYNHJYFS-GHMZBOCLSA-N 2 1 263.407 -0.015 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430573228 208165203 /nfs/dbraw/zinc/16/52/03/208165203.db2.gz LFUDRIIYNHJYFS-GHMZBOCLSA-N 2 1 263.407 -0.015 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430573232 208165465 /nfs/dbraw/zinc/16/54/65/208165465.db2.gz LFUDRIIYNHJYFS-MNOVXSKESA-N 2 1 263.407 -0.015 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430573232 208165468 /nfs/dbraw/zinc/16/54/68/208165468.db2.gz LFUDRIIYNHJYFS-MNOVXSKESA-N 2 1 263.407 -0.015 20 0 CBADMP COCC[NH2+]CC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000178747877 285074201 /nfs/dbraw/zinc/07/42/01/285074201.db2.gz MPSGQGLDFYKSLV-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCCN2CCOCC2)C1 ZINC000430635985 208168752 /nfs/dbraw/zinc/16/87/52/208168752.db2.gz IASAESKMOWRCGK-AWEZNQCLSA-N 2 1 298.431 -0.504 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]([NH3+])C2)C1 ZINC000430635685 208168873 /nfs/dbraw/zinc/16/88/73/208168873.db2.gz VYTBTDYGIHVMCH-UONOGXRCSA-N 2 1 298.431 -0.508 20 0 CBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)CC[NH3+])CC2)CC1 ZINC000430708709 208172450 /nfs/dbraw/zinc/17/24/50/208172450.db2.gz UQWRBPGELDBWRV-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)COC2C[NH2+]C2)C[C@H]1C ZINC000430707706 208172820 /nfs/dbraw/zinc/17/28/20/208172820.db2.gz QNFZANORAGUZEQ-LLVKDONJSA-N 2 1 271.361 -0.846 20 0 CBADMP COCC[N@H+]1CCN(C(=O)COC2C[NH2+]C2)C[C@H]1C ZINC000430707706 208172826 /nfs/dbraw/zinc/17/28/26/208172826.db2.gz QNFZANORAGUZEQ-LLVKDONJSA-N 2 1 271.361 -0.846 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000430711409 208174036 /nfs/dbraw/zinc/17/40/36/208174036.db2.gz FHKJAJJXPPNPBL-YPMHNXCESA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)C[C@H]1C ZINC000430720978 208175348 /nfs/dbraw/zinc/17/53/48/208175348.db2.gz NZESKUYIOMWCAR-MBNYWOFBSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)C[C@H]1C ZINC000430720978 208175354 /nfs/dbraw/zinc/17/53/54/208175354.db2.gz NZESKUYIOMWCAR-MBNYWOFBSA-N 2 1 269.389 -0.101 20 0 CBADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000430729291 208176699 /nfs/dbraw/zinc/17/66/99/208176699.db2.gz GGKNDMNJTLIYPF-QWRGUYRKSA-N 2 1 255.362 -0.131 20 0 CBADMP CC(C)[C@H](CNC(=O)COC1C[NH2+]C1)[NH+]1CCOCC1 ZINC000430739815 208178237 /nfs/dbraw/zinc/17/82/37/208178237.db2.gz FGGVRQITEJDBGP-ZDUSSCGKSA-N 2 1 285.388 -0.552 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000430765564 208179067 /nfs/dbraw/zinc/17/90/67/208179067.db2.gz SCLAMVMVDIFMJW-CQSZACIVSA-N 2 1 282.388 -0.734 20 0 CBADMP CC[C@H]1CN(C(=O)COC2C[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000430743299 208179769 /nfs/dbraw/zinc/17/97/69/208179769.db2.gz QWQGZZQIALWVCM-NEPJUHHUSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@H]([NH3+])CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000430763873 208179859 /nfs/dbraw/zinc/17/98/59/208179859.db2.gz OSVWYGUFURXRRJ-JTQLQIEISA-N 2 1 256.350 -0.996 20 0 CBADMP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000430767460 208181509 /nfs/dbraw/zinc/18/15/09/208181509.db2.gz MRWMIGOAPUAKKL-ZDUSSCGKSA-N 2 1 284.404 -0.883 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000430793927 208182511 /nfs/dbraw/zinc/18/25/11/208182511.db2.gz NRNXSKZMOYJQFJ-HNNXBMFYSA-N 2 1 296.415 -0.392 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000430892065 208186862 /nfs/dbraw/zinc/18/68/62/208186862.db2.gz ZSWYHRZRMGJPMD-UTUOFQBUSA-N 2 1 282.388 -0.430 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1([NH3+])CCCC1 ZINC000430891632 208188182 /nfs/dbraw/zinc/18/81/82/208188182.db2.gz VWUDXTZWXKZJBX-NSHDSACASA-N 2 1 282.388 -0.286 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)COC1C[NH2+]C1 ZINC000430896918 208189749 /nfs/dbraw/zinc/18/97/49/208189749.db2.gz JKMOSMFYPWGYKV-NSHDSACASA-N 2 1 271.361 -0.798 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000430903278 208190892 /nfs/dbraw/zinc/19/08/92/208190892.db2.gz HDDQHLYJSRVGSG-GHMZBOCLSA-N 2 1 268.361 -0.948 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000430897487 208190950 /nfs/dbraw/zinc/19/09/50/208190950.db2.gz NWNBYPABOPRGGB-NEPJUHHUSA-N 2 1 282.388 -0.701 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000431027489 208197634 /nfs/dbraw/zinc/19/76/34/208197634.db2.gz WPZMFUDFBVUKOZ-RAIGVLPGSA-N 2 1 267.373 -0.036 20 0 CBADMP COCC[NH2+]CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000431021655 208198351 /nfs/dbraw/zinc/19/83/51/208198351.db2.gz AGNXDWPZYJVVID-CMPLNLGQSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000431021162 208198442 /nfs/dbraw/zinc/19/84/42/208198442.db2.gz HOQMOXUYKUKJIY-CHWSQXEVSA-N 2 1 284.404 -0.883 20 0 CBADMP CC[NH+]1CCN(CCCCNC(=O)COC2C[NH2+]C2)CC1 ZINC000431012554 208198927 /nfs/dbraw/zinc/19/89/27/208198927.db2.gz GCVYNWSNORVHGL-UHFFFAOYSA-N 2 1 298.431 -0.491 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C[NH2+]C)CC1 ZINC000431019372 208199899 /nfs/dbraw/zinc/19/98/99/208199899.db2.gz OKUMDYVGQJPJAB-GFCCVEGCSA-N 2 1 256.394 -0.404 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000431015665 208200135 /nfs/dbraw/zinc/20/01/35/208200135.db2.gz PZGVCBMTRJMWBJ-STQMWFEESA-N 2 1 268.405 -0.404 20 0 CBADMP C[C@H]1C[N@H+](C2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)CCO1 ZINC000431032342 208201072 /nfs/dbraw/zinc/20/10/72/208201072.db2.gz BLOBDRJHJIVLTN-GXTWGEPZSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[N@@H+](C)CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433383914 208245803 /nfs/dbraw/zinc/24/58/03/208245803.db2.gz BUULACYSKOFLBE-NSHDSACASA-N 2 1 280.376 -0.116 20 0 CBADMP CC(C)[C@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000433174758 208242413 /nfs/dbraw/zinc/24/24/13/208242413.db2.gz KHGDNFYPLPJZHS-STQMWFEESA-N 2 1 298.431 -0.079 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433375255 208244352 /nfs/dbraw/zinc/24/43/52/208244352.db2.gz HCZPYJGXSJVWDX-NWDGAFQWSA-N 2 1 292.387 -0.116 20 0 CBADMP C[NH+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433117449 208236904 /nfs/dbraw/zinc/23/69/04/208236904.db2.gz NMGKENZNEDOCEI-UHFFFAOYSA-N 3 1 268.405 -0.036 20 0 CBADMP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000433119181 208237863 /nfs/dbraw/zinc/23/78/63/208237863.db2.gz UGJDRVDIXBWDNX-ZDUSSCGKSA-N 2 1 298.431 -0.160 20 0 CBADMP COCCOCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000070481619 285091329 /nfs/dbraw/zinc/09/13/29/285091329.db2.gz BPJHRZSYKOSAMA-UHFFFAOYSA-N 2 1 259.350 -0.987 20 0 CBADMP COCCOCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000070481619 285091330 /nfs/dbraw/zinc/09/13/30/285091330.db2.gz BPJHRZSYKOSAMA-UHFFFAOYSA-N 2 1 259.350 -0.987 20 0 CBADMP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442766285 208365254 /nfs/dbraw/zinc/36/52/54/208365254.db2.gz KSKFZYFOFZVTBH-WOPDTQHZSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442766285 208365259 /nfs/dbraw/zinc/36/52/59/208365259.db2.gz KSKFZYFOFZVTBH-WOPDTQHZSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCCCN1CCCC1=O ZINC000442767783 208365376 /nfs/dbraw/zinc/36/53/76/208365376.db2.gz ROAZVQCBSXUNJT-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000442767783 208365380 /nfs/dbraw/zinc/36/53/80/208365380.db2.gz ROAZVQCBSXUNJT-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)C1 ZINC000442782998 208368491 /nfs/dbraw/zinc/36/84/91/208368491.db2.gz QXNOZDHNRUQLRT-KWCYVHTRSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)C1 ZINC000442782998 208368496 /nfs/dbraw/zinc/36/84/96/208368496.db2.gz QXNOZDHNRUQLRT-KWCYVHTRSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+]1CCCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000333606924 285210788 /nfs/dbraw/zinc/21/07/88/285210788.db2.gz XKYXJZGUUXXGRL-GFCCVEGCSA-N 2 1 270.377 -0.288 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420083548 285256137 /nfs/dbraw/zinc/25/61/37/285256137.db2.gz WXQZOEOZXBHVPC-SNVBAGLBSA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC(N)=O ZINC000345221394 285275497 /nfs/dbraw/zinc/27/54/97/285275497.db2.gz LOZSEEKYLXUYOF-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000574876682 335054391 /nfs/dbraw/zinc/05/43/91/335054391.db2.gz BKOSNBICPOWCKN-LLVKDONJSA-N 2 1 263.407 -0.014 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000574876682 335054392 /nfs/dbraw/zinc/05/43/92/335054392.db2.gz BKOSNBICPOWCKN-LLVKDONJSA-N 2 1 263.407 -0.014 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000655165539 413030850 /nfs/dbraw/zinc/03/08/50/413030850.db2.gz QXGAVPQLFYRXJO-DGCLKSJQSA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000655165539 413030856 /nfs/dbraw/zinc/03/08/56/413030856.db2.gz QXGAVPQLFYRXJO-DGCLKSJQSA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000655165539 413030866 /nfs/dbraw/zinc/03/08/66/413030866.db2.gz QXGAVPQLFYRXJO-DGCLKSJQSA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000655165539 413030870 /nfs/dbraw/zinc/03/08/70/413030870.db2.gz QXGAVPQLFYRXJO-DGCLKSJQSA-N 2 1 267.373 -0.394 20 0 CBADMP CC[N@@H+](C)CCNC(=O)NCC[NH+](C)CCOC ZINC000171202646 335059155 /nfs/dbraw/zinc/05/91/55/335059155.db2.gz XJWKIGFSJBASSZ-UHFFFAOYSA-N 2 1 260.382 -0.185 20 0 CBADMP CC[NH+](C)CCNC(=O)NCC[N@H+](C)CCOC ZINC000171202646 335059157 /nfs/dbraw/zinc/05/91/57/335059157.db2.gz XJWKIGFSJBASSZ-UHFFFAOYSA-N 2 1 260.382 -0.185 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000575123644 335069549 /nfs/dbraw/zinc/06/95/49/335069549.db2.gz RGAXINXZUKJVLT-ZIAGYGMSSA-N 2 1 296.367 -0.201 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](C)CC1 ZINC000575125055 335069779 /nfs/dbraw/zinc/06/97/79/335069779.db2.gz UHRCSRLPFONVQI-RDBSUJKOSA-N 2 1 280.416 -0.310 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428037200 289237962 /nfs/dbraw/zinc/23/79/62/289237962.db2.gz JHDHHVFPYCGNCD-NEPJUHHUSA-N 2 1 275.418 -0.048 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428037200 289237966 /nfs/dbraw/zinc/23/79/66/289237966.db2.gz JHDHHVFPYCGNCD-NEPJUHHUSA-N 2 1 275.418 -0.048 20 0 CBADMP CCOCC[N@@H+]1CCN(C(=O)[C@H](C[NH3+])OC)C[C@H]1CC ZINC000353428357 286087595 /nfs/dbraw/zinc/08/75/95/286087595.db2.gz NBSOVOLLNXQLRJ-OLZOCXBDSA-N 2 1 287.404 -0.081 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)[C@H](C[NH3+])OC)C[C@H]1CC ZINC000353428357 286087598 /nfs/dbraw/zinc/08/75/98/286087598.db2.gz NBSOVOLLNXQLRJ-OLZOCXBDSA-N 2 1 287.404 -0.081 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)NC(N)=O ZINC000441259803 289332235 /nfs/dbraw/zinc/33/22/35/289332235.db2.gz MCEDVZAQMWCUFP-GRYCIOLGSA-N 2 1 298.387 -0.245 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228477607 298134153 /nfs/dbraw/zinc/13/41/53/298134153.db2.gz BGXRWMKJECKAMI-UTINFBMNSA-N 2 1 254.334 -0.371 20 0 CBADMP C[C@@H]1CN(C(=O)CCC[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000178862144 296806598 /nfs/dbraw/zinc/80/65/98/296806598.db2.gz LJQYPQYYNNTBQQ-VXGBXAGGSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC000245681675 287086413 /nfs/dbraw/zinc/08/64/13/287086413.db2.gz KZRSLRSXDMKSQD-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])OC)CC[N@H+]1C[C@H](C)O ZINC000353434689 287165086 /nfs/dbraw/zinc/16/50/86/287165086.db2.gz VQCPHLIZEHEHNH-TUAOUCFPSA-N 2 1 273.377 -0.736 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000284419646 196051637 /nfs/dbraw/zinc/05/16/37/196051637.db2.gz XVBGCCSZPUKAPJ-UHFFFAOYSA-N 2 1 295.387 -0.282 20 0 CBADMP CN(C(=O)COCC[NH3+])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901648 414061280 /nfs/dbraw/zinc/06/12/80/414061280.db2.gz XWPIHOXBSXIFTO-CQSZACIVSA-N 2 1 298.431 -0.411 20 0 CBADMP CN(C(=O)COCC[NH3+])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901648 414061292 /nfs/dbraw/zinc/06/12/92/414061292.db2.gz XWPIHOXBSXIFTO-CQSZACIVSA-N 2 1 298.431 -0.411 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000037393615 173174300 /nfs/dbraw/zinc/17/43/00/173174300.db2.gz HVEWQQIXMKIIKF-LBPRGKRZSA-N 2 1 255.362 -0.176 20 0 CBADMP COC(=O)CCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031309 174024555 /nfs/dbraw/zinc/02/45/55/174024555.db2.gz UFARJGGPYQJEEU-UHFFFAOYSA-N 2 1 257.334 -0.697 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000038978078 174160293 /nfs/dbraw/zinc/16/02/93/174160293.db2.gz UYHFFDZWQVUNTA-GFCCVEGCSA-N 2 1 254.378 -0.508 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NC(C)(C)C ZINC000071150655 176045080 /nfs/dbraw/zinc/04/50/80/176045080.db2.gz IYNHCGHCBNGRDM-UHFFFAOYSA-N 2 1 256.394 -0.262 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NC(C)(C)C ZINC000071150655 176045082 /nfs/dbraw/zinc/04/50/82/176045082.db2.gz IYNHCGHCBNGRDM-UHFFFAOYSA-N 2 1 256.394 -0.262 20 0 CBADMP C[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)[C@@H]1C[NH3+] ZINC000419097555 287325485 /nfs/dbraw/zinc/32/54/85/287325485.db2.gz GANOCSQGQDGDAH-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000082258033 544429254 /nfs/dbraw/zinc/42/92/54/544429254.db2.gz AMDVHNPYMNYZCY-CYBMUJFWSA-N 2 1 268.405 -0.118 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000089698321 544436408 /nfs/dbraw/zinc/43/64/08/544436408.db2.gz YZLVQTYWWXGCDS-SNVBAGLBSA-N 2 1 266.349 -0.549 20 0 CBADMP CCC[C@H]([NH3+])c1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000229969704 544499650 /nfs/dbraw/zinc/49/96/50/544499650.db2.gz XHSYQZNFSCADDH-NSHDSACASA-N 2 1 280.376 -0.148 20 0 CBADMP Cn1nccc1CC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000230774557 544501325 /nfs/dbraw/zinc/50/13/25/544501325.db2.gz SWTICSXYLKHFSX-GFCCVEGCSA-N 2 1 279.388 -0.251 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333759354 544544968 /nfs/dbraw/zinc/54/49/68/544544968.db2.gz AGEMDHCHVKGRMJ-AVGNSLFASA-N 2 1 284.404 -0.165 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCOC2(C[NH2+]C2)C1 ZINC000333949259 544547058 /nfs/dbraw/zinc/54/70/58/544547058.db2.gz XCKFCNJJALXWCX-CHWSQXEVSA-N 2 1 294.399 -0.003 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)[NH3+])CC1=O ZINC000249082706 544512525 /nfs/dbraw/zinc/51/25/25/544512525.db2.gz HRVOQRLKMSYCHA-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000660585907 419414068 /nfs/dbraw/zinc/41/40/68/419414068.db2.gz TWILJGNFNKWBPG-UHFFFAOYSA-N 2 1 272.393 -0.232 20 0 CBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccn[nH]1 ZINC000103212709 419480562 /nfs/dbraw/zinc/48/05/62/419480562.db2.gz WMTVGDBLMXSICP-UHFFFAOYSA-N 2 1 253.350 -0.025 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000660704511 419427930 /nfs/dbraw/zinc/42/79/30/419427930.db2.gz OXMNIICQMGGDKX-ZDUSSCGKSA-N 2 1 284.404 -0.090 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043800475 419430790 /nfs/dbraw/zinc/43/07/90/419430790.db2.gz RZOOXJAWUVGCSX-RYUDHWBXSA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@H](C[NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000054340555 419457951 /nfs/dbraw/zinc/45/79/51/419457951.db2.gz GFTFLSJDTVNAQS-VXGBXAGGSA-N 2 1 255.362 -0.096 20 0 CBADMP CCc1noc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000063180290 419465852 /nfs/dbraw/zinc/46/58/52/419465852.db2.gz GLWBVHJFCFOBAD-JTQLQIEISA-N 2 1 281.360 -0.081 20 0 CBADMP CCc1noc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000063180290 419465860 /nfs/dbraw/zinc/46/58/60/419465860.db2.gz GLWBVHJFCFOBAD-JTQLQIEISA-N 2 1 281.360 -0.081 20 0 CBADMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661138438 419469466 /nfs/dbraw/zinc/46/94/66/419469466.db2.gz BIQQGEGCAPZZAH-QWHCGFSZSA-N 2 1 267.377 -0.087 20 0 CBADMP CC[N@H+](C)C[C@@H](O)CN1CC[C@H](Cn2ccnn2)C1 ZINC000661138438 419469471 /nfs/dbraw/zinc/46/94/71/419469471.db2.gz BIQQGEGCAPZZAH-QWHCGFSZSA-N 2 1 267.377 -0.087 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](Cn2ccnn2)C1 ZINC000661138438 419469481 /nfs/dbraw/zinc/46/94/81/419469481.db2.gz BIQQGEGCAPZZAH-QWHCGFSZSA-N 2 1 267.377 -0.087 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661138438 419469485 /nfs/dbraw/zinc/46/94/85/419469485.db2.gz BIQQGEGCAPZZAH-QWHCGFSZSA-N 2 1 267.377 -0.087 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661138438 419469490 /nfs/dbraw/zinc/46/94/90/419469490.db2.gz BIQQGEGCAPZZAH-QWHCGFSZSA-N 2 1 267.377 -0.087 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661138438 419469498 /nfs/dbraw/zinc/46/94/98/419469498.db2.gz BIQQGEGCAPZZAH-QWHCGFSZSA-N 2 1 267.377 -0.087 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661138438 419469505 /nfs/dbraw/zinc/46/95/05/419469505.db2.gz BIQQGEGCAPZZAH-QWHCGFSZSA-N 2 1 267.377 -0.087 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143611 419470421 /nfs/dbraw/zinc/47/04/21/419470421.db2.gz UZNUSLSSFHQODT-KBPBESRZSA-N 2 1 297.403 -0.461 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NC1CCOCC1 ZINC000071150894 419471039 /nfs/dbraw/zinc/47/10/39/419471039.db2.gz JSILBRBKXUBEPA-UHFFFAOYSA-N 2 1 284.404 -0.881 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NC1CCOCC1 ZINC000071150894 419471047 /nfs/dbraw/zinc/47/10/47/419471047.db2.gz JSILBRBKXUBEPA-UHFFFAOYSA-N 2 1 284.404 -0.881 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150780 419471229 /nfs/dbraw/zinc/47/12/29/419471229.db2.gz DORGLPKIJQJDDC-NSHDSACASA-N 2 1 254.378 -0.510 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150780 419471236 /nfs/dbraw/zinc/47/12/36/419471236.db2.gz DORGLPKIJQJDDC-NSHDSACASA-N 2 1 254.378 -0.510 20 0 CBADMP OCC[N@@H+](CCN1CCOCC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662261407 419567685 /nfs/dbraw/zinc/56/76/85/419567685.db2.gz XKNLQQRHBKFCHQ-AWEZNQCLSA-N 2 1 299.415 -0.866 20 0 CBADMP CC[N@H+]1CCN(C[C@H](O)C[NH+](C)CCOC)C[C@@H]1C ZINC000388954271 544576771 /nfs/dbraw/zinc/57/67/71/544576771.db2.gz ZRUZEEYWCJRVIV-UONOGXRCSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+]1CCN(C[C@H](O)C[N@H+](C)CCOC)C[C@@H]1C ZINC000388954271 544576776 /nfs/dbraw/zinc/57/67/76/544576776.db2.gz ZRUZEEYWCJRVIV-UONOGXRCSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+]1CCN(C[C@H](O)C[N@@H+](C)CCOC)C[C@@H]1C ZINC000388954271 544576781 /nfs/dbraw/zinc/57/67/81/544576781.db2.gz ZRUZEEYWCJRVIV-UONOGXRCSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000662152393 419552025 /nfs/dbraw/zinc/55/20/25/419552025.db2.gz UAMRMOADIQIKJB-CABCVRRESA-N 2 1 285.432 -0.170 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152393 419552032 /nfs/dbraw/zinc/55/20/32/419552032.db2.gz UAMRMOADIQIKJB-CABCVRRESA-N 2 1 285.432 -0.170 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152393 419552035 /nfs/dbraw/zinc/55/20/35/419552035.db2.gz UAMRMOADIQIKJB-CABCVRRESA-N 2 1 285.432 -0.170 20 0 CBADMP CCS(=O)(=O)NCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000390349547 544576963 /nfs/dbraw/zinc/57/69/63/544576963.db2.gz LQIMUUDMNBNOGA-MNOVXSKESA-N 2 1 263.407 -0.002 20 0 CBADMP CCS(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000390349547 544576965 /nfs/dbraw/zinc/57/69/65/544576965.db2.gz LQIMUUDMNBNOGA-MNOVXSKESA-N 2 1 263.407 -0.002 20 0 CBADMP COC[C@@H](C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)OC ZINC000662243682 419559205 /nfs/dbraw/zinc/55/92/05/419559205.db2.gz OJDJNDDMZFCDFT-VXGBXAGGSA-N 2 1 273.377 -0.565 20 0 CBADMP CN1CCC[C@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662245208 419559615 /nfs/dbraw/zinc/55/96/15/419559615.db2.gz RZZIMJLYIOXLTG-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C([C@H]1CCN(C[C@@H]2C[NH2+]CCO2)C1)[NH+]1CCOCC1 ZINC000662263488 419568655 /nfs/dbraw/zinc/56/86/55/419568655.db2.gz MNDXCIBOPVWCAX-KGLIPLIRSA-N 2 1 269.389 -0.371 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252148 419560972 /nfs/dbraw/zinc/56/09/72/419560972.db2.gz KPZGHSLTICUOFZ-MNOVXSKESA-N 2 1 253.346 -0.282 20 0 CBADMP O=C1NCCN1[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253718 419561858 /nfs/dbraw/zinc/56/18/58/419561858.db2.gz JZTTVTJLKAPNFK-STQMWFEESA-N 2 1 294.399 -0.003 20 0 CBADMP CCN1CC[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000662247733 419562094 /nfs/dbraw/zinc/56/20/94/419562094.db2.gz ZNPMNZWUQCKQBU-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP CN1CCC[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000662247224 419562405 /nfs/dbraw/zinc/56/24/05/419562405.db2.gz VUFNIQURXYBABA-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP CC(C)C[N@H+](CC(N)=O)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252304 419563382 /nfs/dbraw/zinc/56/33/82/419563382.db2.gz OYNYCXIUDRMLPC-LLVKDONJSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@H+]1CCN(C[C@@H](O)C[NH+](C)CCOC)C[C@@H]1C ZINC000388954263 544577769 /nfs/dbraw/zinc/57/77/69/544577769.db2.gz ZRUZEEYWCJRVIV-KBPBESRZSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+]1CCN(C[C@@H](O)C[N@H+](C)CCOC)C[C@@H]1C ZINC000388954263 544577771 /nfs/dbraw/zinc/57/77/71/544577771.db2.gz ZRUZEEYWCJRVIV-KBPBESRZSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)C[C@@H]1C ZINC000388954263 544577773 /nfs/dbraw/zinc/57/77/73/544577773.db2.gz ZRUZEEYWCJRVIV-KBPBESRZSA-N 2 1 273.421 -0.049 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662247727 419564190 /nfs/dbraw/zinc/56/41/90/419564190.db2.gz ZHWUIGYHLUBYSM-CYBMUJFWSA-N 3 1 268.405 -0.656 20 0 CBADMP CCNC(=O)C[N@@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251533 419564330 /nfs/dbraw/zinc/56/43/30/419564330.db2.gz GNISQCBIFGNSHI-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1C ZINC000662261311 419565801 /nfs/dbraw/zinc/56/58/01/419565801.db2.gz HLDWFOACYGJWJI-MELADBBJSA-N 2 1 283.416 -0.106 20 0 CBADMP C[C@H](O)CN1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1C ZINC000662261311 419565808 /nfs/dbraw/zinc/56/58/08/419565808.db2.gz HLDWFOACYGJWJI-MELADBBJSA-N 2 1 283.416 -0.106 20 0 CBADMP C[C@H](O)CN1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1C ZINC000662261311 419565814 /nfs/dbraw/zinc/56/58/14/419565814.db2.gz HLDWFOACYGJWJI-MELADBBJSA-N 2 1 283.416 -0.106 20 0 CBADMP CC[C@@H]1CN(C[C@H]2C[NH2+]CCO2)CC[N@H+]1C[C@H](C)O ZINC000662262177 419566373 /nfs/dbraw/zinc/56/63/73/419566373.db2.gz SDDQMDWTOCGLDW-BFHYXJOUSA-N 2 1 271.405 -0.248 20 0 CBADMP C[C@H]1CC[C@@H](C[N@H+](C)CC(=O)N2CC[NH2+]CC2)O1 ZINC000129373048 419497922 /nfs/dbraw/zinc/49/79/22/419497922.db2.gz ORKKRAYMQCMGCZ-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1CC[C@@H](C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)O1 ZINC000129373048 419497930 /nfs/dbraw/zinc/49/79/30/419497930.db2.gz ORKKRAYMQCMGCZ-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH2+]CCCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394378746 544578338 /nfs/dbraw/zinc/57/83/38/544578338.db2.gz BFRHDVXGCBRCTC-GFCCVEGCSA-N 2 1 254.378 -0.508 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CCCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000647705793 419633521 /nfs/dbraw/zinc/63/35/21/419633521.db2.gz NSIPEIMVIUDADA-OLZOCXBDSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@H]1C[C@H](NC(=O)c2cn(CC[NH3+])nn2)C[N@H+]1C1CC1 ZINC000662539652 419634840 /nfs/dbraw/zinc/63/48/40/419634840.db2.gz GWAOCUOFAWPTBB-UWVGGRQHSA-N 2 1 278.360 -0.408 20 0 CBADMP CC[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258381 419569244 /nfs/dbraw/zinc/56/92/44/419569244.db2.gz UCRDEOXHPSPVIZ-QWRGUYRKSA-N 2 1 253.346 -0.282 20 0 CBADMP CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258381 419569253 /nfs/dbraw/zinc/56/92/53/419569253.db2.gz UCRDEOXHPSPVIZ-QWRGUYRKSA-N 2 1 253.346 -0.282 20 0 CBADMP COC[C@@H](C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)OC ZINC000662275975 419572213 /nfs/dbraw/zinc/57/22/13/419572213.db2.gz GJIAXWUDOHUWEB-CHWSQXEVSA-N 2 1 257.378 -0.373 20 0 CBADMP COC[C@@H](C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)OC ZINC000662275977 419572620 /nfs/dbraw/zinc/57/26/20/419572620.db2.gz GJIAXWUDOHUWEB-QWHCGFSZSA-N 2 1 257.378 -0.373 20 0 CBADMP CCO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1C[NH3+] ZINC000662285853 419574650 /nfs/dbraw/zinc/57/46/50/419574650.db2.gz NTMOASAAZXZLTE-GRYCIOLGSA-N 2 1 255.362 -0.097 20 0 CBADMP CCO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1C[NH3+] ZINC000662285853 419574662 /nfs/dbraw/zinc/57/46/62/419574662.db2.gz NTMOASAAZXZLTE-GRYCIOLGSA-N 2 1 255.362 -0.097 20 0 CBADMP O=C(CC1CC[NH2+]CC1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394385176 544580751 /nfs/dbraw/zinc/58/07/51/544580751.db2.gz LAZKWLOWBIQKMG-AWEZNQCLSA-N 2 1 280.416 -0.118 20 0 CBADMP CN(C)c1nc(N2CCN(C(=O)CC[NH3+])CC2)cc[nH+]1 ZINC000237110153 419577437 /nfs/dbraw/zinc/57/74/37/419577437.db2.gz CSQRMYIOBWJANA-UHFFFAOYSA-N 2 1 278.360 -0.460 20 0 CBADMP C[C@@]1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC[NH2+]C1 ZINC000394381547 544581387 /nfs/dbraw/zinc/58/13/87/544581387.db2.gz MIKGWSHVDRVACV-GXTWGEPZSA-N 2 1 266.389 -0.508 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662554445 419639345 /nfs/dbraw/zinc/63/93/45/419639345.db2.gz PNZLNKYFCDJMNI-UHFFFAOYSA-N 2 1 288.302 -0.474 20 0 CBADMP O=C(CC[N@H+]1CC[C@H](Cn2ccnn2)C1)N1CC[NH2+]CC1 ZINC000662295461 419580738 /nfs/dbraw/zinc/58/07/38/419580738.db2.gz KFUUUSHMFQKEKO-ZDUSSCGKSA-N 2 1 292.387 -0.578 20 0 CBADMP O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394384395 544581741 /nfs/dbraw/zinc/58/17/41/544581741.db2.gz JCWJRBQURFFMLA-CHWSQXEVSA-N 2 1 266.389 -0.365 20 0 CBADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000394382403 544581839 /nfs/dbraw/zinc/58/18/39/544581839.db2.gz VZLAVGKDXDJTEN-HZSPNIEDSA-N 2 1 280.416 -0.119 20 0 CBADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@H]1COCCO1 ZINC000662307483 419586831 /nfs/dbraw/zinc/58/68/31/419586831.db2.gz WHEJRIXLYJEADP-NEPJUHHUSA-N 2 1 256.346 -0.145 20 0 CBADMP CCOc1ccc(N2CC[NH+](CCOCC[NH3+])CC2)nn1 ZINC000662326675 419587227 /nfs/dbraw/zinc/58/72/27/419587227.db2.gz AEAOMYABEUBKCS-UHFFFAOYSA-N 2 1 295.387 -0.027 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662388306 419591246 /nfs/dbraw/zinc/59/12/46/419591246.db2.gz PJQWJKYHNSDRMU-LLVKDONJSA-N 2 1 280.376 -0.302 20 0 CBADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)COCC1CC1 ZINC000647517370 419597598 /nfs/dbraw/zinc/59/75/98/419597598.db2.gz HOFDEBAVYPERHU-ZIAGYGMSSA-N 2 1 272.389 -0.180 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662441605 419604822 /nfs/dbraw/zinc/60/48/22/419604822.db2.gz KSOCAJDYIHYYPF-NSHDSACASA-N 2 1 296.375 -0.923 20 0 CBADMP NC(=O)Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nn1 ZINC000647545715 419607017 /nfs/dbraw/zinc/60/70/17/419607017.db2.gz JLSKFTZUHMYSKO-RYUDHWBXSA-N 2 1 292.387 -0.415 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC000662438580 419607350 /nfs/dbraw/zinc/60/73/50/419607350.db2.gz XULYSNWNEMFWLG-RWMBFGLXSA-N 2 1 296.415 -0.183 20 0 CBADMP NC(=O)Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nn1 ZINC000647545716 419607572 /nfs/dbraw/zinc/60/75/72/419607572.db2.gz JLSKFTZUHMYSKO-VXGBXAGGSA-N 2 1 292.387 -0.415 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000662437960 419607898 /nfs/dbraw/zinc/60/78/98/419607898.db2.gz KSSBVXFDNPJFAC-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[NH+](C)C[C@H](CO)NC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647535938 419608354 /nfs/dbraw/zinc/60/83/54/419608354.db2.gz KBSZLXLWQGDRTC-CVEARBPZSA-N 2 1 295.427 -0.009 20 0 CBADMP CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000647568564 419610238 /nfs/dbraw/zinc/61/02/38/419610238.db2.gz OKYKOMUBQUHPKO-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000662462107 419613403 /nfs/dbraw/zinc/61/34/03/419613403.db2.gz GVXPULUFUSIWQT-KGLIPLIRSA-N 2 1 298.431 -0.493 20 0 CBADMP COC[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC[NH2+]C1 ZINC000310865515 419619038 /nfs/dbraw/zinc/61/90/38/419619038.db2.gz RKWBPIXIEBYFJT-DGCLKSJQSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000647594964 419619988 /nfs/dbraw/zinc/61/99/88/419619988.db2.gz BFNXUASTMRCRFD-GARJFASQSA-N 2 1 284.404 -0.173 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000647595161 419620407 /nfs/dbraw/zinc/62/04/07/419620407.db2.gz QXFWTSHKBWNOKP-GMXVVIOVSA-N 2 1 296.415 -0.171 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)COC1(C)C[NH2+]C1 ZINC000310625106 419620551 /nfs/dbraw/zinc/62/05/51/419620551.db2.gz COAUYAUCJIYDEU-UHFFFAOYSA-N 2 1 252.318 -0.314 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000662497456 419620840 /nfs/dbraw/zinc/62/08/40/419620840.db2.gz JNOQLNWOBVLWOE-KOLCDFICSA-N 2 1 278.360 -0.551 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000647597728 419620971 /nfs/dbraw/zinc/62/09/71/419620971.db2.gz KBNWLWRHXLNOFD-GARJFASQSA-N 2 1 270.377 -0.561 20 0 CBADMP CC[N@H+]1CCCN(C[C@@H](O)C[NH+](C)CCOC)CC1 ZINC000311543401 419621471 /nfs/dbraw/zinc/62/14/71/419621471.db2.gz HJWDDQYIWMVVAD-AWEZNQCLSA-N 2 1 273.421 -0.047 20 0 CBADMP CC[NH+]1CCCN(C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000311543401 419621479 /nfs/dbraw/zinc/62/14/79/419621479.db2.gz HJWDDQYIWMVVAD-AWEZNQCLSA-N 2 1 273.421 -0.047 20 0 CBADMP CC[NH+]1CCCN(C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000311543401 419621489 /nfs/dbraw/zinc/62/14/89/419621489.db2.gz HJWDDQYIWMVVAD-AWEZNQCLSA-N 2 1 273.421 -0.047 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662497683 419624393 /nfs/dbraw/zinc/62/43/93/419624393.db2.gz JCOYNKJNEJRVDK-GFCCVEGCSA-N 2 1 294.403 -0.056 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)O1 ZINC000662514016 419626898 /nfs/dbraw/zinc/62/68/98/419626898.db2.gz JHQHJSXLPKNEAP-FDYHWXHSSA-N 2 1 267.373 -0.084 20 0 CBADMP Cn1cnnc1[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000315032711 419626986 /nfs/dbraw/zinc/62/69/86/419626986.db2.gz GZLHIHSDTZYKPT-LBPRGKRZSA-N 2 1 292.387 -0.226 20 0 CBADMP Cn1cnnc1[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000315032711 419626998 /nfs/dbraw/zinc/62/69/98/419626998.db2.gz GZLHIHSDTZYKPT-LBPRGKRZSA-N 2 1 292.387 -0.226 20 0 CBADMP Cn1cnnc1[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000315032709 419627221 /nfs/dbraw/zinc/62/72/21/419627221.db2.gz GZLHIHSDTZYKPT-GFCCVEGCSA-N 2 1 292.387 -0.226 20 0 CBADMP Cn1cnnc1[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000315032709 419627228 /nfs/dbraw/zinc/62/72/28/419627228.db2.gz GZLHIHSDTZYKPT-GFCCVEGCSA-N 2 1 292.387 -0.226 20 0 CBADMP COC[C@]1(C(=O)NCCC[NH+]2CCN(C)CC2)CC[NH2+]C1 ZINC000315066810 419628469 /nfs/dbraw/zinc/62/84/69/419628469.db2.gz APQJALFJTYFBRG-HNNXBMFYSA-N 2 1 298.431 -0.634 20 0 CBADMP COC[C@@]1(C(=O)NCCC[NH+]2CCN(C)CC2)CC[NH2+]C1 ZINC000315066820 419628776 /nfs/dbraw/zinc/62/87/76/419628776.db2.gz APQJALFJTYFBRG-OAHLLOKOSA-N 2 1 298.431 -0.634 20 0 CBADMP O=C([C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000647824831 419663243 /nfs/dbraw/zinc/66/32/43/419663243.db2.gz YYHCZJUOFSVXLE-KGLIPLIRSA-N 3 1 280.416 -0.260 20 0 CBADMP O=C([C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000647824831 419663247 /nfs/dbraw/zinc/66/32/47/419663247.db2.gz YYHCZJUOFSVXLE-KGLIPLIRSA-N 2 1 280.416 -0.260 20 0 CBADMP O=C([C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000647824831 419663259 /nfs/dbraw/zinc/66/32/59/419663259.db2.gz YYHCZJUOFSVXLE-KGLIPLIRSA-N 2 1 280.416 -0.260 20 0 CBADMP C[C@@H](CN1CCOCC1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647836138 419665130 /nfs/dbraw/zinc/66/51/30/419665130.db2.gz AOHJEGTZMNQDAF-AWEZNQCLSA-N 2 1 270.421 -0.456 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835181 419665178 /nfs/dbraw/zinc/66/51/78/419665178.db2.gz PZWZLIUNLJFFSM-KGLIPLIRSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835181 419665185 /nfs/dbraw/zinc/66/51/85/419665185.db2.gz PZWZLIUNLJFFSM-KGLIPLIRSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@H](CN1CCOCC1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000647828801 419665311 /nfs/dbraw/zinc/66/53/11/419665311.db2.gz ZEMCULXNSKNOJQ-ZIAGYGMSSA-N 2 1 298.431 -0.506 20 0 CBADMP Cn1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1=O ZINC000647828565 419666319 /nfs/dbraw/zinc/66/63/19/419666319.db2.gz CTFTYOIYBVGXMR-ZDUSSCGKSA-N 2 1 292.383 -0.328 20 0 CBADMP Cn1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1=O ZINC000647828564 419666421 /nfs/dbraw/zinc/66/64/21/419666421.db2.gz CTFTYOIYBVGXMR-CYBMUJFWSA-N 2 1 292.383 -0.328 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647836723 419667089 /nfs/dbraw/zinc/66/70/89/419667089.db2.gz APQQYNNTDAJDHZ-LBPRGKRZSA-N 3 1 254.378 -0.650 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000647836723 419667100 /nfs/dbraw/zinc/66/71/00/419667100.db2.gz APQQYNNTDAJDHZ-LBPRGKRZSA-N 2 1 254.378 -0.650 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000647836723 419667106 /nfs/dbraw/zinc/66/71/06/419667106.db2.gz APQQYNNTDAJDHZ-LBPRGKRZSA-N 2 1 254.378 -0.650 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655481 419670769 /nfs/dbraw/zinc/67/07/69/419670769.db2.gz IKDBEALTPOHJNX-NEPJUHHUSA-N 2 1 271.361 -0.717 20 0 CBADMP O=C(C[C@H]1CC[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655203 419671832 /nfs/dbraw/zinc/67/18/32/419671832.db2.gz HGVWWGORLUXOKO-OLZOCXBDSA-N 2 1 267.373 -0.081 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000662665556 419672432 /nfs/dbraw/zinc/67/24/32/419672432.db2.gz LTMJGDPJAMVOMZ-IHRRRGAJSA-N 2 1 297.399 -0.327 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662662101 419674878 /nfs/dbraw/zinc/67/48/78/419674878.db2.gz ZHTRIPDFOQEYJL-WOPDTQHZSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000647865213 419675680 /nfs/dbraw/zinc/67/56/80/419675680.db2.gz BQALMWXLEUPBAY-MQYQWHSLSA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000647865213 419675689 /nfs/dbraw/zinc/67/56/89/419675689.db2.gz BQALMWXLEUPBAY-MQYQWHSLSA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000647865214 419676556 /nfs/dbraw/zinc/67/65/56/419676556.db2.gz BQALMWXLEUPBAY-YIYPIFLZSA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000647865214 419676560 /nfs/dbraw/zinc/67/65/60/419676560.db2.gz BQALMWXLEUPBAY-YIYPIFLZSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH2+]CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000662679567 419676843 /nfs/dbraw/zinc/67/68/43/419676843.db2.gz QYUPANGRBJPKJK-UHFFFAOYSA-N 2 1 270.377 -0.735 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662672747 419677478 /nfs/dbraw/zinc/67/74/78/419677478.db2.gz CWYUWNFOKPKPAE-OLZOCXBDSA-N 2 1 285.388 -0.469 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662669222 419677957 /nfs/dbraw/zinc/67/79/57/419677957.db2.gz CAVCUYLLVKOLGQ-RYUDHWBXSA-N 2 1 271.361 -0.859 20 0 CBADMP C[C@H](C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)N1CC[NH+](C)CC1 ZINC000647877248 419684471 /nfs/dbraw/zinc/68/44/71/419684471.db2.gz MCNCOIDOFPMGQZ-YNEHKIRRSA-N 2 1 284.404 -0.803 20 0 CBADMP NC(=O)[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647883325 419684689 /nfs/dbraw/zinc/68/46/89/419684689.db2.gz FHTBJRMJOUOCTL-GFCCVEGCSA-N 2 1 255.362 -0.048 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662699514 419688207 /nfs/dbraw/zinc/68/82/07/419688207.db2.gz BOPSGZGWUWUPPN-WOPDTQHZSA-N 2 1 255.362 -0.192 20 0 CBADMP C(C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000647891564 419688821 /nfs/dbraw/zinc/68/88/21/419688821.db2.gz RPXBWLKWNVKFCS-KGLIPLIRSA-N 2 1 269.389 -0.229 20 0 CBADMP C(C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000647891564 419688827 /nfs/dbraw/zinc/68/88/27/419688827.db2.gz RPXBWLKWNVKFCS-KGLIPLIRSA-N 2 1 269.389 -0.229 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1(O)C[NH2+]C1 ZINC000662695945 419690409 /nfs/dbraw/zinc/69/04/09/419690409.db2.gz RAJQPQKWWCKURH-GHMZBOCLSA-N 2 1 255.362 -0.443 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000662702318 419693139 /nfs/dbraw/zinc/69/31/39/419693139.db2.gz YLGKGTXOFYARTK-UPJWGTAASA-N 2 1 285.388 -0.565 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+])C1CC1 ZINC000662710369 419693538 /nfs/dbraw/zinc/69/35/38/419693538.db2.gz HRGDJPARVVMNAK-NEPJUHHUSA-N 2 1 255.362 -0.049 20 0 CBADMP [NH3+]CCOCC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000662708524 419694099 /nfs/dbraw/zinc/69/40/99/419694099.db2.gz TWIINQIJRIWWFB-CHWSQXEVSA-N 2 1 297.399 -0.279 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662705812 419695478 /nfs/dbraw/zinc/69/54/78/419695478.db2.gz QUSLDYJRPYLVNA-SRVKXCTJSA-N 2 1 282.388 -0.573 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662702999 419695723 /nfs/dbraw/zinc/69/57/23/419695723.db2.gz GCLZKQZCAAEKSI-WDEREUQCSA-N 2 1 259.350 -0.955 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000647973981 419702221 /nfs/dbraw/zinc/70/22/21/419702221.db2.gz OCYIPJRHQQXLPS-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP O=C(CC[N@H+]1CC[C@H](n2cncn2)C1)N1CC[NH2+]CC1 ZINC000647989609 419704402 /nfs/dbraw/zinc/70/44/02/419704402.db2.gz LTNUAYGATKNKCK-LBPRGKRZSA-N 2 1 278.360 -0.653 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662735086 419705092 /nfs/dbraw/zinc/70/50/92/419705092.db2.gz LFYZTLLKLHYCFM-LLVKDONJSA-N 2 1 255.362 -0.299 20 0 CBADMP COC[C@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000647989903 419705410 /nfs/dbraw/zinc/70/54/10/419705410.db2.gz CHVJCGAHKFKBAG-QWHCGFSZSA-N 2 1 257.378 -0.373 20 0 CBADMP COC[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000647989903 419705415 /nfs/dbraw/zinc/70/54/15/419705415.db2.gz CHVJCGAHKFKBAG-QWHCGFSZSA-N 2 1 257.378 -0.373 20 0 CBADMP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662743712 419707885 /nfs/dbraw/zinc/70/78/85/419707885.db2.gz LCUKEGBJSOIEFU-UONOGXRCSA-N 2 1 299.415 -0.081 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1O ZINC000647994563 419708318 /nfs/dbraw/zinc/70/83/18/419708318.db2.gz QEYODDOSRMKHIG-UBHSHLNASA-N 2 1 296.415 -0.213 20 0 CBADMP C[C@H](CNC(=O)CC1([NH3+])CC1)CN1CC[NH+](C)CC1 ZINC000662755968 419709739 /nfs/dbraw/zinc/70/97/39/419709739.db2.gz FHNUXYILCGUYMG-GFCCVEGCSA-N 2 1 268.405 -0.133 20 0 CBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2CCO[C@H]2C[NH3+])C[C@H](C)O1 ZINC000662793778 419725234 /nfs/dbraw/zinc/72/52/34/419725234.db2.gz ZMJLQKCZJDUWHQ-CRWXNKLISA-N 2 1 299.415 -0.082 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2CCO[C@H]2C[NH3+])C[C@H](C)O1 ZINC000662793778 419725242 /nfs/dbraw/zinc/72/52/42/419725242.db2.gz ZMJLQKCZJDUWHQ-CRWXNKLISA-N 2 1 299.415 -0.082 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662939875 419786307 /nfs/dbraw/zinc/78/63/07/419786307.db2.gz QFDXCSNUSVLRBK-CYBMUJFWSA-N 2 1 298.431 -0.016 20 0 CBADMP CCC[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[N@@H+]1CCOC ZINC000662825186 419739748 /nfs/dbraw/zinc/73/97/48/419739748.db2.gz FFCYINHDLKCNMM-GFCCVEGCSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[N@H+]1CCOC ZINC000662825186 419739758 /nfs/dbraw/zinc/73/97/58/419739758.db2.gz FFCYINHDLKCNMM-GFCCVEGCSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662832000 419740097 /nfs/dbraw/zinc/74/00/97/419740097.db2.gz HXQCCOXSOZSYJL-RGDJUOJXSA-N 2 1 299.415 -0.036 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662832000 419740101 /nfs/dbraw/zinc/74/01/01/419740101.db2.gz HXQCCOXSOZSYJL-RGDJUOJXSA-N 2 1 299.415 -0.036 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH+](C)CC1 ZINC000648124126 419740537 /nfs/dbraw/zinc/74/05/37/419740537.db2.gz RPJPYPBFNNYERT-MCIONIFRSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662832002 419741404 /nfs/dbraw/zinc/74/14/04/419741404.db2.gz HXQCCOXSOZSYJL-RKQHYHRCSA-N 2 1 299.415 -0.036 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662832002 419741412 /nfs/dbraw/zinc/74/14/12/419741412.db2.gz HXQCCOXSOZSYJL-RKQHYHRCSA-N 2 1 299.415 -0.036 20 0 CBADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C1(O)C[NH2+]C1 ZINC000662835054 419743654 /nfs/dbraw/zinc/74/36/54/419743654.db2.gz KIEHYOFOYSQJOI-QWRGUYRKSA-N 2 1 253.346 -0.546 20 0 CBADMP [NH3+]C1(CC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000662870647 419756806 /nfs/dbraw/zinc/75/68/06/419756806.db2.gz JVQQNUOTVNLZNL-NSHDSACASA-N 2 1 253.346 -0.199 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000662943916 419787023 /nfs/dbraw/zinc/78/70/23/419787023.db2.gz DSGVXVMYNKZUFR-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)COCC[NH3+])C1 ZINC000648157934 419762466 /nfs/dbraw/zinc/76/24/66/419762466.db2.gz VWFZFMIENRFEGQ-VXGBXAGGSA-N 2 1 255.362 -0.096 20 0 CBADMP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662905620 419765475 /nfs/dbraw/zinc/76/54/75/419765475.db2.gz FIWSMMYNEQAPBX-QWHCGFSZSA-N 2 1 280.416 -0.119 20 0 CBADMP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662906548 419765648 /nfs/dbraw/zinc/76/56/48/419765648.db2.gz NNAODNZCZZCMQN-VXGBXAGGSA-N 2 1 266.389 -0.510 20 0 CBADMP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000662908381 419766296 /nfs/dbraw/zinc/76/62/96/419766296.db2.gz UEXAMQDSUOOARM-GRYCIOLGSA-N 2 1 252.362 -0.770 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@H]1CCC[NH2+]CC1 ZINC000662908659 419767501 /nfs/dbraw/zinc/76/75/01/419767501.db2.gz VRONVOBKXYQVID-KBPBESRZSA-N 2 1 280.416 -0.118 20 0 CBADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000648173971 419768288 /nfs/dbraw/zinc/76/82/88/419768288.db2.gz LBGOUNGBRIQGEX-ITGUQSILSA-N 2 1 289.383 -0.030 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1CCC[NH2+]CC1 ZINC000662908663 419769119 /nfs/dbraw/zinc/76/91/19/419769119.db2.gz VRONVOBKXYQVID-UONOGXRCSA-N 2 1 280.416 -0.118 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000662926549 419778694 /nfs/dbraw/zinc/77/86/94/419778694.db2.gz PTWQBGPYBPHDLW-LBPRGKRZSA-N 2 1 284.404 -0.406 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000662929464 419780795 /nfs/dbraw/zinc/78/07/95/419780795.db2.gz AYZXQRFODAVWKT-LBPRGKRZSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[NH3+])C[C@@H]1C ZINC000662935905 419784221 /nfs/dbraw/zinc/78/42/21/419784221.db2.gz BGYZYJXGRRXQTP-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[NH3+])C[C@@H]1C ZINC000662935905 419784225 /nfs/dbraw/zinc/78/42/25/419784225.db2.gz BGYZYJXGRRXQTP-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP [NH3+]CC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663005876 419809229 /nfs/dbraw/zinc/80/92/29/419809229.db2.gz YZHCMKPKKYPJBE-LBPRGKRZSA-N 2 1 282.388 -0.701 20 0 CBADMP C[C@@H](C(=O)N[C@]1(C)CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000663013922 419809375 /nfs/dbraw/zinc/80/93/75/419809375.db2.gz QWKIBVXVTPCHHA-WCQYABFASA-N 2 1 254.378 -0.510 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)C1=O ZINC000663221584 419830701 /nfs/dbraw/zinc/83/07/01/419830701.db2.gz PRECFBCLGDBTOY-AVGNSLFASA-N 2 1 295.383 -0.356 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000649274629 419859155 /nfs/dbraw/zinc/85/91/55/419859155.db2.gz SGSYVVRVMKZRNV-UONOGXRCSA-N 2 1 298.431 -0.411 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663495652 419842274 /nfs/dbraw/zinc/84/22/74/419842274.db2.gz PAGFPBJZPPPAOP-MBNYWOFBSA-N 3 1 266.389 -0.617 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663495652 419842280 /nfs/dbraw/zinc/84/22/80/419842280.db2.gz PAGFPBJZPPPAOP-MBNYWOFBSA-N 2 1 266.389 -0.617 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663489592 419843413 /nfs/dbraw/zinc/84/34/13/419843413.db2.gz HYHPHUZOHMYKHM-LLVKDONJSA-N 2 1 253.346 -0.329 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1O ZINC000663681316 419855118 /nfs/dbraw/zinc/85/51/18/419855118.db2.gz JRIKHPRROZJRSY-XUXIUFHCSA-N 2 1 296.415 -0.071 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H]1O ZINC000663718184 419856725 /nfs/dbraw/zinc/85/67/25/419856725.db2.gz ZMHXQTQYWBKDEK-MQYQWHSLSA-N 2 1 296.415 -0.071 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000662939272 419788400 /nfs/dbraw/zinc/78/84/00/419788400.db2.gz NJXDQZUWPKDKOV-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[C@@H]1CNCCN1C(=O)C(=O)N(C)Cc1c[nH]cn1 ZINC000662953566 419791902 /nfs/dbraw/zinc/79/19/02/419791902.db2.gz MMHGBBGCKBIITO-GFCCVEGCSA-N 2 1 293.371 -0.031 20 0 CBADMP CN(Cc1cnc[nH]1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662951221 419793027 /nfs/dbraw/zinc/79/30/27/419793027.db2.gz JGXSSAWYEYJBCW-MNOVXSKESA-N 2 1 291.355 -0.279 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cnc[nH]2)[C@H](C)C[NH2+]1 ZINC000662954173 419793062 /nfs/dbraw/zinc/79/30/62/419793062.db2.gz MGYZZBWSJZOCRU-NXEZZACHSA-N 2 1 279.344 -0.423 20 0 CBADMP OCC[N@H+](CCN1CCOCC1)C[C@H]1CCC[NH2+]C1 ZINC000346847443 419795341 /nfs/dbraw/zinc/79/53/41/419795341.db2.gz MNOZIRQQGXZRIA-AWEZNQCLSA-N 2 1 271.405 -0.388 20 0 CBADMP OCC[N@@H+](CCN1CCOCC1)C[C@H]1CCC[NH2+]C1 ZINC000346847443 419795344 /nfs/dbraw/zinc/79/53/44/419795344.db2.gz MNOZIRQQGXZRIA-AWEZNQCLSA-N 2 1 271.405 -0.388 20 0 CBADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000347690057 419799094 /nfs/dbraw/zinc/79/90/94/419799094.db2.gz MFBWEKQIVZMHRX-PHIMTYICSA-N 2 1 270.377 -0.560 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)COCC[NH3+] ZINC000649301171 419870311 /nfs/dbraw/zinc/87/03/11/419870311.db2.gz JTEZPAUCWJIKNR-JTQLQIEISA-N 2 1 254.334 -0.081 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C[NH+]1CCOCC1 ZINC000649312324 419872616 /nfs/dbraw/zinc/87/26/16/419872616.db2.gz HPQPDSIVWRXOJE-LOWDOPEQSA-N 2 1 267.373 -0.179 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649314151 419877308 /nfs/dbraw/zinc/87/73/08/419877308.db2.gz OYGDFJJTMCCFOP-JTQLQIEISA-N 2 1 279.331 -0.074 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649313236 419877819 /nfs/dbraw/zinc/87/78/19/419877819.db2.gz QODAQBBWXNGFSC-NDBYEHHHSA-N 2 1 294.399 -0.845 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649313153 419879528 /nfs/dbraw/zinc/87/95/28/419879528.db2.gz DYFWNRYLEZNBPT-LOWDOPEQSA-N 2 1 294.399 -0.560 20 0 CBADMP O=C([C@H]1CCC[NH2+]1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649321129 419882756 /nfs/dbraw/zinc/88/27/56/419882756.db2.gz MMLYOPMBGFGOBR-FRRDWIJNSA-N 2 1 267.373 -0.204 20 0 CBADMP [NH3+]C1(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCC1 ZINC000649321427 419883511 /nfs/dbraw/zinc/88/35/11/419883511.db2.gz XLAZPVFXTVPDSK-NWDGAFQWSA-N 2 1 267.373 -0.075 20 0 CBADMP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649321211 419884155 /nfs/dbraw/zinc/88/41/55/419884155.db2.gz OSIUHMYBAYSDTO-DGTMBMJNSA-N 2 1 279.384 -0.206 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649323715 419887532 /nfs/dbraw/zinc/88/75/32/419887532.db2.gz SPTTVGXXNRUICW-WYUUTHIRSA-N 2 1 253.346 -0.711 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649330378 419891256 /nfs/dbraw/zinc/89/12/56/419891256.db2.gz WZNGMIXNESEEKV-RTXFEEFZSA-N 2 1 294.399 -0.594 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000666920291 544650511 /nfs/dbraw/zinc/65/05/11/544650511.db2.gz REJUJLOUUVLRID-MELADBBJSA-N 2 1 296.415 -0.069 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000666920291 544650514 /nfs/dbraw/zinc/65/05/14/544650514.db2.gz REJUJLOUUVLRID-MELADBBJSA-N 2 1 296.415 -0.069 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000666920291 544650518 /nfs/dbraw/zinc/65/05/18/544650518.db2.gz REJUJLOUUVLRID-MELADBBJSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1nccn1C ZINC000667246410 544657535 /nfs/dbraw/zinc/65/75/35/544657535.db2.gz HFGNKDLWTJIYLB-CMPLNLGQSA-N 2 1 293.371 -0.059 20 0 CBADMP C[C@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1nccn1C ZINC000667246410 544657541 /nfs/dbraw/zinc/65/75/41/544657541.db2.gz HFGNKDLWTJIYLB-CMPLNLGQSA-N 2 1 293.371 -0.059 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649352913 419903314 /nfs/dbraw/zinc/90/33/14/419903314.db2.gz UFRFGFQNYKSSQZ-KKOKHZNYSA-N 2 1 252.362 -0.901 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649352901 419905299 /nfs/dbraw/zinc/90/52/99/419905299.db2.gz SVJWFGUWFOEEAU-GHMZBOCLSA-N 2 1 290.358 -0.407 20 0 CBADMP C(CN1CCOCC1)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000649419576 419909272 /nfs/dbraw/zinc/90/92/72/419909272.db2.gz WLNVLIVKJZXJHQ-OAHLLOKOSA-N 2 1 282.432 -0.312 20 0 CBADMP CC[NH+](CC)CCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358691422 419911557 /nfs/dbraw/zinc/91/15/57/419911557.db2.gz YTFZSQIKGIRNGK-ZDUSSCGKSA-N 2 1 272.393 -0.306 20 0 CBADMP C[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C1=CC[N@@H+](C)CC1 ZINC000664630154 419911812 /nfs/dbraw/zinc/91/18/12/419911812.db2.gz QFVSAYOAWQBAEU-XBFCOCLRSA-N 2 1 296.415 -0.047 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669452005 544749051 /nfs/dbraw/zinc/74/90/51/544749051.db2.gz NSHMUDYZHVKHDK-OLZOCXBDSA-N 2 1 284.404 -0.042 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000669402977 544749356 /nfs/dbraw/zinc/74/93/56/544749356.db2.gz CNKDWAGIZNOXLQ-ZIAGYGMSSA-N 2 1 295.431 -0.230 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000669491259 544750565 /nfs/dbraw/zinc/75/05/65/544750565.db2.gz RXIUNHQLHXGDPN-ZDUSSCGKSA-N 2 1 294.399 -0.146 20 0 CBADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000669690425 544758929 /nfs/dbraw/zinc/75/89/29/544758929.db2.gz JBQIMWZXJDBGDG-GASCZTMLSA-N 2 1 285.432 -0.170 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000671419197 544810305 /nfs/dbraw/zinc/81/03/05/544810305.db2.gz XLQXPNIRRPIPSQ-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000671419197 544810310 /nfs/dbraw/zinc/81/03/10/544810310.db2.gz XLQXPNIRRPIPSQ-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000671419197 544810311 /nfs/dbraw/zinc/81/03/11/544810311.db2.gz XLQXPNIRRPIPSQ-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCN1CCN(C[C@H]2CCC[N@H+]2C)CC1=O ZINC000649684954 419925048 /nfs/dbraw/zinc/92/50/48/419925048.db2.gz IYJYBJZCTBMQRO-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP Cn1c[nH+]cc1CCN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685117 419927093 /nfs/dbraw/zinc/92/70/93/419927093.db2.gz OTEAXLUJDCXWET-UHFFFAOYSA-N 2 1 279.388 -0.332 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])C1 ZINC000359249584 419952142 /nfs/dbraw/zinc/95/21/42/419952142.db2.gz VHYNORYNYMIBPW-UPJWGTAASA-N 2 1 285.388 -0.328 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])C1 ZINC000359249584 419952146 /nfs/dbraw/zinc/95/21/46/419952146.db2.gz VHYNORYNYMIBPW-UPJWGTAASA-N 2 1 285.388 -0.328 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650781279 419966744 /nfs/dbraw/zinc/96/67/44/419966744.db2.gz WZWQUNVMOGZDMB-DGCLKSJQSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650781279 419966748 /nfs/dbraw/zinc/96/67/48/419966748.db2.gz WZWQUNVMOGZDMB-DGCLKSJQSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000652464804 420067997 /nfs/dbraw/zinc/06/79/97/420067997.db2.gz CUXPJZNDXGVBFL-SRVKXCTJSA-N 2 1 272.393 -0.045 20 0 CBADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000652464804 420068000 /nfs/dbraw/zinc/06/80/00/420068000.db2.gz CUXPJZNDXGVBFL-SRVKXCTJSA-N 2 1 272.393 -0.045 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672308627 544851749 /nfs/dbraw/zinc/85/17/49/544851749.db2.gz VPQKTOKFEBLUJB-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000364188033 420032698 /nfs/dbraw/zinc/03/26/98/420032698.db2.gz JAXDQDRAMUSWSZ-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000364188033 420032704 /nfs/dbraw/zinc/03/27/04/420032704.db2.gz JAXDQDRAMUSWSZ-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN(CC[NH+](C)C)CC2)C1 ZINC000364340856 420033665 /nfs/dbraw/zinc/03/36/65/420033665.db2.gz REABUVGQSZVZGF-AWEZNQCLSA-N 2 1 298.431 -0.587 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN(CC[NH+](C)C)CC2)C1 ZINC000364340856 420033668 /nfs/dbraw/zinc/03/36/68/420033668.db2.gz REABUVGQSZVZGF-AWEZNQCLSA-N 2 1 298.431 -0.587 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(CC[NH+](C)C)CC2)C1 ZINC000364340859 420034212 /nfs/dbraw/zinc/03/42/12/420034212.db2.gz REABUVGQSZVZGF-CQSZACIVSA-N 2 1 298.431 -0.587 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCN(CC[NH+](C)C)CC2)C1 ZINC000364340859 420034217 /nfs/dbraw/zinc/03/42/17/420034217.db2.gz REABUVGQSZVZGF-CQSZACIVSA-N 2 1 298.431 -0.587 20 0 CBADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000652341752 420057744 /nfs/dbraw/zinc/05/77/44/420057744.db2.gz MVJKYOWUDKXZHX-WDEREUQCSA-N 2 1 297.321 -0.043 20 0 CBADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000652341752 420057746 /nfs/dbraw/zinc/05/77/46/420057746.db2.gz MVJKYOWUDKXZHX-WDEREUQCSA-N 2 1 297.321 -0.043 20 0 CBADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)NC(N)=O)CC1 ZINC000365400744 420061955 /nfs/dbraw/zinc/06/19/55/420061955.db2.gz AOMSNFBXCBEHHD-JTQLQIEISA-N 2 1 256.350 -0.013 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000366932202 420095862 /nfs/dbraw/zinc/09/58/62/420095862.db2.gz JRUIZSBYVSCMMF-VOAKCMCISA-N 2 1 267.373 -0.443 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000367391290 420105377 /nfs/dbraw/zinc/10/53/77/420105377.db2.gz AVNAPKZQKYWARM-QMMMGPOBSA-N 2 1 251.277 -0.712 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)CC[N@H+]1C ZINC000672594001 544856594 /nfs/dbraw/zinc/85/65/94/544856594.db2.gz AZSYCCHIVPGHBQ-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)CC[NH+]1C ZINC000672594001 544856596 /nfs/dbraw/zinc/85/65/96/544856596.db2.gz AZSYCCHIVPGHBQ-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)CC[NH+]1C ZINC000672594001 544856599 /nfs/dbraw/zinc/85/65/99/544856599.db2.gz AZSYCCHIVPGHBQ-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110426 420117397 /nfs/dbraw/zinc/11/73/97/420117397.db2.gz IJZJZSFNFBWFBL-JLNYLFASSA-N 2 1 279.384 -0.035 20 0 CBADMP C[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@H+]1C ZINC000653119803 420118445 /nfs/dbraw/zinc/11/84/45/420118445.db2.gz WWNLOMZPAOWVRQ-FMSGJZPZSA-N 2 1 267.373 -0.179 20 0 CBADMP CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000653117130 420118829 /nfs/dbraw/zinc/11/88/29/420118829.db2.gz AMXHAPOYZXQDAN-OLZOCXBDSA-N 2 1 268.405 -0.040 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653122035 420119101 /nfs/dbraw/zinc/11/91/01/420119101.db2.gz JLAJDPTWYOWANA-JSGCOSHPSA-N 2 1 285.388 -0.693 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000653121983 420120442 /nfs/dbraw/zinc/12/04/42/420120442.db2.gz HYTOAUBXCLZZLJ-RYUDHWBXSA-N 2 1 256.394 -0.277 20 0 CBADMP O=C(NCC1([NH+]2CCOCC2)CCCC1)C1C[NH2+]C1 ZINC000368247882 420127856 /nfs/dbraw/zinc/12/78/56/420127856.db2.gz YJYHVWQVTPFBTL-UHFFFAOYSA-N 2 1 267.373 -0.033 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000653221409 420128430 /nfs/dbraw/zinc/12/84/30/420128430.db2.gz VZLGOPDRKKJFSL-LLVKDONJSA-N 2 1 255.362 -0.048 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000653221409 420128435 /nfs/dbraw/zinc/12/84/35/420128435.db2.gz VZLGOPDRKKJFSL-LLVKDONJSA-N 2 1 255.362 -0.048 20 0 CBADMP CCO[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)C[C@H]1C[NH3+] ZINC000653243845 420130100 /nfs/dbraw/zinc/13/01/00/420130100.db2.gz PBXBLZQZLHGZPQ-OPRDCNLKSA-N 2 1 259.375 -0.529 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000653285116 420138487 /nfs/dbraw/zinc/13/84/87/420138487.db2.gz DFNKTIYDEQQAKA-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP [NH3+]CC1(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000652676643 420070836 /nfs/dbraw/zinc/07/08/36/420070836.db2.gz DDYUXIGEDMSVSS-NSHDSACASA-N 2 1 294.399 -0.416 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)C1 ZINC000652706097 420074763 /nfs/dbraw/zinc/07/47/63/420074763.db2.gz VIFFBTINNVJELQ-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672754327 544859396 /nfs/dbraw/zinc/85/93/96/544859396.db2.gz ADWFWNLHCVUPNW-QWHCGFSZSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672754327 544859397 /nfs/dbraw/zinc/85/93/97/544859397.db2.gz ADWFWNLHCVUPNW-QWHCGFSZSA-N 2 1 284.404 -0.211 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000652705885 420075504 /nfs/dbraw/zinc/07/55/04/420075504.db2.gz QGVNKTZXZUPEBL-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652735081 420079955 /nfs/dbraw/zinc/07/99/55/420079955.db2.gz BKPPXGXBOJRTML-UHFFFAOYSA-N 2 1 284.404 -0.439 20 0 CBADMP C[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000370779510 420186714 /nfs/dbraw/zinc/18/67/14/420186714.db2.gz KQRYZEAIPKNVEQ-DGCLKSJQSA-N 2 1 273.352 -0.228 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000370814132 420187106 /nfs/dbraw/zinc/18/71/06/420187106.db2.gz HSWPZUMJGDYHEL-SECBINFHSA-N 2 1 256.350 -0.643 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654662539 420189531 /nfs/dbraw/zinc/18/95/31/420189531.db2.gz SKOAYQZNZUYYIR-BETUJISGSA-N 2 1 286.420 -0.060 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000672961783 544864013 /nfs/dbraw/zinc/86/40/13/544864013.db2.gz NWKUEIQEERBWIF-SRVKXCTJSA-N 2 1 272.393 -0.045 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000672961783 544864019 /nfs/dbraw/zinc/86/40/19/544864019.db2.gz NWKUEIQEERBWIF-SRVKXCTJSA-N 2 1 272.393 -0.045 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](NC(=O)NC)C1 ZINC000653618379 420153303 /nfs/dbraw/zinc/15/33/03/420153303.db2.gz DKDXKKRJBHQUKP-MNOVXSKESA-N 2 1 258.366 -0.698 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000653663790 420154702 /nfs/dbraw/zinc/15/47/02/420154702.db2.gz KAMLTAXHXFWGKZ-MNOVXSKESA-N 2 1 257.378 -0.054 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000653663791 420155267 /nfs/dbraw/zinc/15/52/67/420155267.db2.gz KAMLTAXHXFWGKZ-QWRGUYRKSA-N 2 1 257.378 -0.054 20 0 CBADMP C[NH+](C)CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369340705 420158207 /nfs/dbraw/zinc/15/82/07/420158207.db2.gz ADIAAIZMMRIOGM-ZDUSSCGKSA-N 2 1 268.405 -0.214 20 0 CBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[N@@H+](C)CC2)CC1=O ZINC000369936764 420169202 /nfs/dbraw/zinc/16/92/02/420169202.db2.gz NCFUHXKKFWOFNX-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654438442 420178668 /nfs/dbraw/zinc/17/86/68/420178668.db2.gz DMPRTLXYRNDFDK-MJBXVCDLSA-N 2 1 297.447 -0.128 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000654460824 420181072 /nfs/dbraw/zinc/18/10/72/420181072.db2.gz AZHQMRXVKMASBD-ZOBORPQBSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000654460824 420181077 /nfs/dbraw/zinc/18/10/77/420181077.db2.gz AZHQMRXVKMASBD-ZOBORPQBSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000654460824 420181084 /nfs/dbraw/zinc/18/10/84/420181084.db2.gz AZHQMRXVKMASBD-ZOBORPQBSA-N 2 1 296.415 -0.071 20 0 CBADMP C[NH+]1CCN(C(=O)Cn2cc([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000404645491 420223461 /nfs/dbraw/zinc/22/34/61/420223461.db2.gz OBDKLMXVUZSLFT-LBPRGKRZSA-N 2 1 292.387 -0.481 20 0 CBADMP C[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)[C@H]1CC[NH3+] ZINC000404288416 420225052 /nfs/dbraw/zinc/22/50/52/420225052.db2.gz JGHCQQHNETZERJ-QWRGUYRKSA-N 2 1 268.361 -0.013 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407234008 420229285 /nfs/dbraw/zinc/22/92/85/420229285.db2.gz AOEKBVQKNZTREA-MGPQQGTHSA-N 2 1 280.416 -0.121 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000655247083 420232882 /nfs/dbraw/zinc/23/28/82/420232882.db2.gz RSOGKQJIAKSWNG-GRYCIOLGSA-N 2 1 255.362 -0.227 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000655247083 420232887 /nfs/dbraw/zinc/23/28/87/420232887.db2.gz RSOGKQJIAKSWNG-GRYCIOLGSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655244180 420233913 /nfs/dbraw/zinc/23/39/13/420233913.db2.gz NRZOHJYHPIFDSJ-IGQOVBAYSA-N 2 1 299.415 -0.069 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655244180 420233919 /nfs/dbraw/zinc/23/39/19/420233919.db2.gz NRZOHJYHPIFDSJ-IGQOVBAYSA-N 2 1 299.415 -0.069 20 0 CBADMP C[NH+](C)[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)CC1 ZINC000408380968 420234355 /nfs/dbraw/zinc/23/43/55/420234355.db2.gz FPZQXHNZJPJHDG-NSHDSACASA-N 2 1 268.361 -0.046 20 0 CBADMP C[NH+](C)[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)CC1 ZINC000408380968 420234360 /nfs/dbraw/zinc/23/43/60/420234360.db2.gz FPZQXHNZJPJHDG-NSHDSACASA-N 2 1 268.361 -0.046 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000655295027 420237897 /nfs/dbraw/zinc/23/78/97/420237897.db2.gz PCAVJSQCNWJJFY-XDQVBPFNSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000655295027 420237899 /nfs/dbraw/zinc/23/78/99/420237899.db2.gz PCAVJSQCNWJJFY-XDQVBPFNSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000655295027 420237901 /nfs/dbraw/zinc/23/79/01/420237901.db2.gz PCAVJSQCNWJJFY-XDQVBPFNSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418594161 420241405 /nfs/dbraw/zinc/24/14/05/420241405.db2.gz WFGOQHMFCSTJNV-YNEHKIRRSA-N 2 1 284.404 -0.036 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419107309 420242925 /nfs/dbraw/zinc/24/29/25/420242925.db2.gz PMJYXMAPYXKBRD-QWRGUYRKSA-N 2 1 282.388 -0.417 20 0 CBADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000418951526 420244281 /nfs/dbraw/zinc/24/42/81/420244281.db2.gz UKBIJYPTOSXRLS-SECBINFHSA-N 2 1 294.346 -0.457 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000419098836 420244379 /nfs/dbraw/zinc/24/43/79/420244379.db2.gz OVBFVTUDWJZNJE-UHFFFAOYSA-N 2 1 293.371 -0.356 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419501825 420244797 /nfs/dbraw/zinc/24/47/97/420244797.db2.gz CDJSCNYDSPKMDG-FRRDWIJNSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000419543216 420244844 /nfs/dbraw/zinc/24/48/44/420244844.db2.gz GAVMAUSIXHUXIL-WOPDTQHZSA-N 2 1 284.404 -0.301 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@@H+]1C ZINC000419855543 420245295 /nfs/dbraw/zinc/24/52/95/420245295.db2.gz CXYRWOCFLGWKAW-CHWSQXEVSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@H+]1C ZINC000419855543 420245301 /nfs/dbraw/zinc/24/53/01/420245301.db2.gz CXYRWOCFLGWKAW-CHWSQXEVSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000419337537 420245640 /nfs/dbraw/zinc/24/56/40/420245640.db2.gz QUCJRAXGKRYHHR-NQBHXWOUSA-N 2 1 296.415 -0.301 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419408899 420245655 /nfs/dbraw/zinc/24/56/55/420245655.db2.gz MKVIFXNCBDHEDL-LBPRGKRZSA-N 2 1 284.404 -0.440 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419846162 420245997 /nfs/dbraw/zinc/24/59/97/420245997.db2.gz RGSBQXHZLDOJKL-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000419590819 420246190 /nfs/dbraw/zinc/24/61/90/420246190.db2.gz QLTOZZWVBUPBAL-QWRGUYRKSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419959309 420247549 /nfs/dbraw/zinc/24/75/49/420247549.db2.gz XDTMDKWZAITTAA-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419962051 420247950 /nfs/dbraw/zinc/24/79/50/420247950.db2.gz UUDCCMUJNYIGCF-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420028509 420248034 /nfs/dbraw/zinc/24/80/34/420248034.db2.gz HHHAIDAHGFLMAO-STQMWFEESA-N 2 1 296.415 -0.219 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000655449779 420250163 /nfs/dbraw/zinc/25/01/63/420250163.db2.gz OLJXQXDUBBBDIZ-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H](O)CNc1cc(NC[C@H]2C[NH2+]CCN2C)nc[nH+]1 ZINC000420275615 420251164 /nfs/dbraw/zinc/25/11/64/420251164.db2.gz OGXLVBVTADAEHH-WDEREUQCSA-N 2 1 280.376 -0.415 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000422891014 420254504 /nfs/dbraw/zinc/25/45/04/420254504.db2.gz UJOJDUJXWUVCEB-AGIUHOORSA-N 2 1 268.405 -0.086 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487525 420254679 /nfs/dbraw/zinc/25/46/79/420254679.db2.gz GUAUJFZQGUKNCM-WUHRBBMRSA-N 2 1 287.404 -0.036 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487525 420254682 /nfs/dbraw/zinc/25/46/82/420254682.db2.gz GUAUJFZQGUKNCM-WUHRBBMRSA-N 2 1 287.404 -0.036 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000423367348 420255584 /nfs/dbraw/zinc/25/55/84/420255584.db2.gz AFIPTHYJQKQGGT-OLZOCXBDSA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000423367348 420255588 /nfs/dbraw/zinc/25/55/88/420255588.db2.gz AFIPTHYJQKQGGT-OLZOCXBDSA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000423390070 420255764 /nfs/dbraw/zinc/25/57/64/420255764.db2.gz VRAQYGLXVIDGGV-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000423390070 420255769 /nfs/dbraw/zinc/25/57/69/420255769.db2.gz VRAQYGLXVIDGGV-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487573 420255858 /nfs/dbraw/zinc/25/58/58/420255858.db2.gz IBAMNDRHQFJKCE-IGQOVBAYSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487573 420255860 /nfs/dbraw/zinc/25/58/60/420255860.db2.gz IBAMNDRHQFJKCE-IGQOVBAYSA-N 2 1 299.415 -0.021 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422971381 420256158 /nfs/dbraw/zinc/25/61/58/420256158.db2.gz IOAYHBUHGHRFJQ-RYUDHWBXSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CC[NH2+]C ZINC000423555208 420257022 /nfs/dbraw/zinc/25/70/22/420257022.db2.gz LXWQEXLMJMDWMW-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H]1OCCN[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423851561 420258955 /nfs/dbraw/zinc/25/89/55/420258955.db2.gz ROBSAEBRNURTKF-PWSUYJOCSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423851561 420258963 /nfs/dbraw/zinc/25/89/63/420258963.db2.gz ROBSAEBRNURTKF-PWSUYJOCSA-N 2 1 255.362 -0.084 20 0 CBADMP CCCCNC(=O)CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430621206 420271825 /nfs/dbraw/zinc/27/18/25/420271825.db2.gz CHOIZLIUNODKSI-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP C[N@@H+](CCC(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC000430609924 420272332 /nfs/dbraw/zinc/27/23/32/420272332.db2.gz JEFHCNDVMCGAEW-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP C[NH+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655910578 420276767 /nfs/dbraw/zinc/27/67/67/420276767.db2.gz YTDIPZPQSMQRGG-SSDOTTSWSA-N 2 1 254.256 -0.167 20 0 CBADMP O=C(NCCC[NH2+]C1CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655960854 420282741 /nfs/dbraw/zinc/28/27/41/420282741.db2.gz AJAHMIMVGZFERY-QWHCGFSZSA-N 2 1 282.388 -0.411 20 0 CBADMP CCCC[C@@H](C[NH3+])NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963901 420283016 /nfs/dbraw/zinc/28/30/16/420283016.db2.gz UDTDIVGNWSNRKB-RWMBFGLXSA-N 2 1 284.404 -0.036 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655968911 420284239 /nfs/dbraw/zinc/28/42/39/420284239.db2.gz AWRCOBSCEDGSDN-QNWHQSFQSA-N 2 1 282.388 -0.426 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC000655967022 420284575 /nfs/dbraw/zinc/28/45/75/420284575.db2.gz KRMQVCHBISJGBI-FVCCEPFGSA-N 2 1 282.388 -0.413 20 0 CBADMP CC1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[NH2+]C1 ZINC000399206731 420218930 /nfs/dbraw/zinc/21/89/30/420218930.db2.gz AZAGEKKWZQGPFZ-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](Cn2cc(C[C@H]([NH3+])CO)nn2)C1 ZINC000656448992 420310201 /nfs/dbraw/zinc/31/02/01/420310201.db2.gz TTWFBIOJIUWNQI-JSGCOSHPSA-N 2 1 297.403 -0.503 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000516766131 420363228 /nfs/dbraw/zinc/36/32/28/420363228.db2.gz DBWREUBDAAQTPM-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000516766125 420364220 /nfs/dbraw/zinc/36/42/20/420364220.db2.gz DBWREUBDAAQTPM-AGIUHOORSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+]1CCN(c2ncc(C[NH2+]C/C=C/CO)cn2)CC1 ZINC000657592849 420356807 /nfs/dbraw/zinc/35/68/07/420356807.db2.gz MUVBMSMBFSGTIA-NSCUHMNNSA-N 2 1 277.372 -0.134 20 0 CBADMP CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656023667 420293390 /nfs/dbraw/zinc/29/33/90/420293390.db2.gz COSKDWWFTXFBNM-VXGBXAGGSA-N 2 1 296.415 -0.027 20 0 CBADMP CC(C)([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656023666 420293470 /nfs/dbraw/zinc/29/34/70/420293470.db2.gz COSKDWWFTXFBNM-RYUDHWBXSA-N 2 1 296.415 -0.027 20 0 CBADMP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656022664 420293528 /nfs/dbraw/zinc/29/35/28/420293528.db2.gz JEXRCVIYZZYBIS-NWDGAFQWSA-N 2 1 280.372 -0.793 20 0 CBADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656022666 420293633 /nfs/dbraw/zinc/29/36/33/420293633.db2.gz JEXRCVIYZZYBIS-VXGBXAGGSA-N 2 1 280.372 -0.793 20 0 CBADMP CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656023663 420294115 /nfs/dbraw/zinc/29/41/15/420294115.db2.gz COSKDWWFTXFBNM-NEPJUHHUSA-N 2 1 296.415 -0.027 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)CN1CC([C@H]2CCOC2)C1 ZINC000656151710 420300166 /nfs/dbraw/zinc/30/01/66/420300166.db2.gz BZNMQFMPOLCRCN-GXTWGEPZSA-N 2 1 272.389 -0.106 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC([C@H]2CCOC2)C1 ZINC000656151710 420300172 /nfs/dbraw/zinc/30/01/72/420300172.db2.gz BZNMQFMPOLCRCN-GXTWGEPZSA-N 2 1 272.389 -0.106 20 0 CBADMP COCC[N@H+](C)C[C@H](O)CN1CC([C@@H]2CCOC2)C1 ZINC000656151712 420300428 /nfs/dbraw/zinc/30/04/28/420300428.db2.gz BZNMQFMPOLCRCN-OCCSQVGLSA-N 2 1 272.389 -0.106 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC([C@@H]2CCOC2)C1 ZINC000656151712 420300435 /nfs/dbraw/zinc/30/04/35/420300435.db2.gz BZNMQFMPOLCRCN-OCCSQVGLSA-N 2 1 272.389 -0.106 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)[N@H+]1C ZINC000519698085 420385304 /nfs/dbraw/zinc/38/53/04/420385304.db2.gz JQULAYPEHQAMTO-MPZDIEGVSA-N 2 1 294.399 -0.785 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)[N@@H+]1C ZINC000519698085 420385310 /nfs/dbraw/zinc/38/53/10/420385310.db2.gz JQULAYPEHQAMTO-MPZDIEGVSA-N 2 1 294.399 -0.785 20 0 CBADMP CCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000658808009 420388172 /nfs/dbraw/zinc/38/81/72/420388172.db2.gz SZXAGKSZHVKTJD-GFCCVEGCSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH2+]CCOC ZINC000519755332 420388329 /nfs/dbraw/zinc/38/83/29/420388329.db2.gz AXHJVHDOXJHGKP-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCO)O1 ZINC000527554468 420396527 /nfs/dbraw/zinc/39/65/27/420396527.db2.gz VRWZJUSPJFPAGM-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCO)O1 ZINC000527554468 420396533 /nfs/dbraw/zinc/39/65/33/420396533.db2.gz VRWZJUSPJFPAGM-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)O1 ZINC000527554468 420396537 /nfs/dbraw/zinc/39/65/37/420396537.db2.gz VRWZJUSPJFPAGM-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCO)O1 ZINC000527554468 420396542 /nfs/dbraw/zinc/39/65/42/420396542.db2.gz VRWZJUSPJFPAGM-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+](C)C ZINC000674246205 544898692 /nfs/dbraw/zinc/89/86/92/544898692.db2.gz GJTNZOIVKWWAOR-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+](C)C ZINC000674287728 544900156 /nfs/dbraw/zinc/90/01/56/544900156.db2.gz ZPUKMBUOEYOUHX-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000516927841 420366021 /nfs/dbraw/zinc/36/60/21/420366021.db2.gz JNWHXJMKGUGTAW-ZDUSSCGKSA-N 2 1 289.445 -0.209 20 0 CBADMP CCC[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000516927841 420366026 /nfs/dbraw/zinc/36/60/26/420366026.db2.gz JNWHXJMKGUGTAW-ZDUSSCGKSA-N 2 1 289.445 -0.209 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000673667516 544883003 /nfs/dbraw/zinc/88/30/03/544883003.db2.gz ZWGLKPSKXRDRNP-QWHCGFSZSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000673667516 544883008 /nfs/dbraw/zinc/88/30/08/544883008.db2.gz ZWGLKPSKXRDRNP-QWHCGFSZSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000673667516 544883010 /nfs/dbraw/zinc/88/30/10/544883010.db2.gz ZWGLKPSKXRDRNP-QWHCGFSZSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000673667516 544883014 /nfs/dbraw/zinc/88/30/14/544883014.db2.gz ZWGLKPSKXRDRNP-QWHCGFSZSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000673663249 544883311 /nfs/dbraw/zinc/88/33/11/544883311.db2.gz XIGALJDIIJVCNQ-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000673663249 544883314 /nfs/dbraw/zinc/88/33/14/544883314.db2.gz XIGALJDIIJVCNQ-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000673663249 544883319 /nfs/dbraw/zinc/88/33/19/544883319.db2.gz XIGALJDIIJVCNQ-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000673663249 544883324 /nfs/dbraw/zinc/88/33/24/544883324.db2.gz XIGALJDIIJVCNQ-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CN1CC[NH+](C)CC1 ZINC000675146126 544928591 /nfs/dbraw/zinc/92/85/91/544928591.db2.gz GAKWBAMLJUSEFB-JSGCOSHPSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CN1CC[NH+](C)CC1 ZINC000675146126 544928595 /nfs/dbraw/zinc/92/85/95/544928595.db2.gz GAKWBAMLJUSEFB-JSGCOSHPSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@H](NC(=O)N1CC2CC1(C[NH3+])C2)[C@H]1C[N@H+](C)CCO1 ZINC000659470303 420421410 /nfs/dbraw/zinc/42/14/10/420421410.db2.gz ACWYKNURSMZIET-WDBLDGLGSA-N 2 1 282.388 -0.162 20 0 CBADMP C[C@H](NC(=O)N1CC2CC1(C[NH3+])C2)[C@H]1C[N@@H+](C)CCO1 ZINC000659470303 420421413 /nfs/dbraw/zinc/42/14/13/420421413.db2.gz ACWYKNURSMZIET-WDBLDGLGSA-N 2 1 282.388 -0.162 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NCC[N@@H+](C)CCCOC ZINC000659458991 420421570 /nfs/dbraw/zinc/42/15/70/420421570.db2.gz BLMVWPURVJCIEO-NSHDSACASA-N 2 1 260.382 -0.138 20 0 CBADMP C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@H]1C[N@H+](C)CCO1 ZINC000659471278 420421868 /nfs/dbraw/zinc/42/18/68/420421868.db2.gz RYDQDIBDSPPNPC-GARJFASQSA-N 2 1 256.350 -0.633 20 0 CBADMP C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@H]1C[N@@H+](C)CCO1 ZINC000659471278 420421871 /nfs/dbraw/zinc/42/18/71/420421871.db2.gz RYDQDIBDSPPNPC-GARJFASQSA-N 2 1 256.350 -0.633 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000659459039 420421891 /nfs/dbraw/zinc/42/18/91/420421891.db2.gz YBPHTFPHLXQIDN-NWDGAFQWSA-N 2 1 272.393 -0.138 20 0 CBADMP C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@H]1C[N@H+](C)CCO1 ZINC000659471280 420422184 /nfs/dbraw/zinc/42/21/84/420422184.db2.gz RYDQDIBDSPPNPC-OUAUKWLOSA-N 2 1 256.350 -0.633 20 0 CBADMP C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@H]1C[N@@H+](C)CCO1 ZINC000659471280 420422185 /nfs/dbraw/zinc/42/21/85/420422185.db2.gz RYDQDIBDSPPNPC-OUAUKWLOSA-N 2 1 256.350 -0.633 20 0 CBADMP C[NH+](C)C[C@H]1CCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000133762946 230172739 /nfs/dbraw/zinc/17/27/39/230172739.db2.gz QFVYCYMCZMMZRW-CYBMUJFWSA-N 2 1 268.405 -0.356 20 0 CBADMP [NH3+]CCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659508292 420425997 /nfs/dbraw/zinc/42/59/97/420425997.db2.gz TXMHZDUWTDYVJO-VXGBXAGGSA-N 2 1 282.388 -0.112 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000679351965 545027383 /nfs/dbraw/zinc/02/73/83/545027383.db2.gz FZPWHFSUAKAZEP-ZIAGYGMSSA-N 2 1 280.416 -0.214 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000679351965 545027386 /nfs/dbraw/zinc/02/73/86/545027386.db2.gz FZPWHFSUAKAZEP-ZIAGYGMSSA-N 2 1 280.416 -0.214 20 0 CBADMP CN1CCN(c2nccnc2N2CC[NH+](C)CC2)CC1 ZINC000679389929 545028114 /nfs/dbraw/zinc/02/81/14/545028114.db2.gz LISWLNFDCZMRRZ-UHFFFAOYSA-N 2 1 276.388 -0.020 20 0 CBADMP CCNC(=O)CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000679635712 545031006 /nfs/dbraw/zinc/03/10/06/545031006.db2.gz HOUDWIHYPVLCOE-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CCNC(=O)CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000679635712 545031008 /nfs/dbraw/zinc/03/10/08/545031008.db2.gz HOUDWIHYPVLCOE-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000659750975 420467180 /nfs/dbraw/zinc/46/71/80/420467180.db2.gz ROROBLLDJDMKED-YNEHKIRRSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000659750510 420467193 /nfs/dbraw/zinc/46/71/93/420467193.db2.gz OOCZEVOVWYBDBJ-QWHCGFSZSA-N 2 1 298.431 -0.195 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000659750513 420467584 /nfs/dbraw/zinc/46/75/84/420467584.db2.gz OOCZEVOVWYBDBJ-STQMWFEESA-N 2 1 298.431 -0.195 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000659750971 420467708 /nfs/dbraw/zinc/46/77/08/420467708.db2.gz ROROBLLDJDMKED-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000659756362 420469351 /nfs/dbraw/zinc/46/93/51/420469351.db2.gz QWDBZSJAGTWYKO-XQQFMLRXSA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000683914870 545068713 /nfs/dbraw/zinc/06/87/13/545068713.db2.gz YRCYEURXQDPDHW-OCCSQVGLSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000683914870 545068714 /nfs/dbraw/zinc/06/87/14/545068714.db2.gz YRCYEURXQDPDHW-OCCSQVGLSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000681788669 545051248 /nfs/dbraw/zinc/05/12/48/545051248.db2.gz JDKWYWMEVVRIGR-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000681788669 545051250 /nfs/dbraw/zinc/05/12/50/545051250.db2.gz JDKWYWMEVVRIGR-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP C[NH+](C)CCOCCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000682615069 545059084 /nfs/dbraw/zinc/05/90/84/545059084.db2.gz YNZQTRRPAROCHG-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000659642073 420442683 /nfs/dbraw/zinc/44/26/83/420442683.db2.gz JCANQHDGGBWKRW-RYUDHWBXSA-N 2 1 272.393 -0.260 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659680795 420447851 /nfs/dbraw/zinc/44/78/51/420447851.db2.gz LGUSZYKCAFWJGZ-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000659681261 420447892 /nfs/dbraw/zinc/44/78/92/420447892.db2.gz SCRZXPOPZZNZOZ-RWMBFGLXSA-N 2 1 298.431 -0.053 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000659681363 420448096 /nfs/dbraw/zinc/44/80/96/420448096.db2.gz GVXVEPRNCOBZOH-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000659685243 420448729 /nfs/dbraw/zinc/44/87/29/420448729.db2.gz PMOPDCAOTWIHBN-UHFFFAOYSA-N 2 1 270.377 -0.608 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659691891 420450413 /nfs/dbraw/zinc/45/04/13/420450413.db2.gz NUYFQZCUJFNXNQ-GHMZBOCLSA-N 2 1 297.334 -0.795 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659693869 420450922 /nfs/dbraw/zinc/45/09/22/420450922.db2.gz CIXVRSNGCIIINA-JQWIXIFHSA-N 2 1 296.415 -0.219 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000659701823 420451702 /nfs/dbraw/zinc/45/17/02/420451702.db2.gz JUPGWOXHVVEIAE-WDEREUQCSA-N 2 1 282.388 -0.523 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[N@@H+](C)C1CC1 ZINC000659701929 420452568 /nfs/dbraw/zinc/45/25/68/420452568.db2.gz KIKPGYBZHCNGJZ-LLVKDONJSA-N 2 1 296.415 -0.027 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000659706295 420452791 /nfs/dbraw/zinc/45/27/91/420452791.db2.gz KRSCXAWXWYLFDL-DGCLKSJQSA-N 2 1 296.415 -0.156 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000659706294 420452837 /nfs/dbraw/zinc/45/28/37/420452837.db2.gz KRSCXAWXWYLFDL-AAEUAGOBSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[N@@H+](C)C1CC1 ZINC000659702889 420452896 /nfs/dbraw/zinc/45/28/96/420452896.db2.gz SJCJIFGXHTZGHO-RWWNRMGGSA-N 2 1 294.399 -0.465 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000659708223 420453677 /nfs/dbraw/zinc/45/36/77/420453677.db2.gz PYDWPSJYBLWANE-VXGBXAGGSA-N 2 1 298.431 -0.053 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000659708221 420454234 /nfs/dbraw/zinc/45/42/34/420454234.db2.gz PYDWPSJYBLWANE-NWDGAFQWSA-N 2 1 298.431 -0.053 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000659711330 420455184 /nfs/dbraw/zinc/45/51/84/420455184.db2.gz ZQEIFNFGFHFDNQ-QJPTWQEYSA-N 2 1 282.388 -0.547 20 0 CBADMP Cc1cc(NC(=O)CC[NH2+]C[C@H](O)C[NH+]2CCCC2)no1 ZINC000572038837 420456391 /nfs/dbraw/zinc/45/63/91/420456391.db2.gz KEOJEPLYCMZJNM-LBPRGKRZSA-N 2 1 296.371 0.358 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659715015 420456989 /nfs/dbraw/zinc/45/69/89/420456989.db2.gz ZVIXWMZTNCEZNZ-GFCCVEGCSA-N 2 1 282.388 -0.545 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000659718360 420457723 /nfs/dbraw/zinc/45/77/23/420457723.db2.gz PRVREBXYMASPTD-VXGBXAGGSA-N 2 1 282.388 -0.560 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000659718024 420457931 /nfs/dbraw/zinc/45/79/31/420457931.db2.gz LKECKIRAJIJQLN-RYUDHWBXSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659716262 420458113 /nfs/dbraw/zinc/45/81/13/420458113.db2.gz VVHACMRSBFGWAL-RYUDHWBXSA-N 2 1 296.415 -0.027 20 0 CBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000659721766 420459515 /nfs/dbraw/zinc/45/95/15/420459515.db2.gz HWVTUFWCAUBRLC-SECBINFHSA-N 2 1 292.330 -0.703 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000659721766 420459518 /nfs/dbraw/zinc/45/95/18/420459518.db2.gz HWVTUFWCAUBRLC-SECBINFHSA-N 2 1 292.330 -0.703 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000659725436 420459893 /nfs/dbraw/zinc/45/98/93/420459893.db2.gz XAPMPGKYEQSSHE-LLVKDONJSA-N 2 1 296.415 -0.027 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000659726289 420460258 /nfs/dbraw/zinc/46/02/58/420460258.db2.gz IXKCTUYCXQEEAO-YNEHKIRRSA-N 2 1 294.399 -0.402 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000659726259 420460474 /nfs/dbraw/zinc/46/04/74/420460474.db2.gz IQABSBFBGSKMLD-XQQFMLRXSA-N 2 1 296.415 -0.156 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659738963 420462933 /nfs/dbraw/zinc/46/29/33/420462933.db2.gz BNBXDLIRBXREPB-IQLKVPPVSA-N 2 1 280.372 -0.935 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000659738862 420463773 /nfs/dbraw/zinc/46/37/73/420463773.db2.gz JGSBJANWGPKUDG-SWLSCSKDSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000659739382 420464159 /nfs/dbraw/zinc/46/41/59/420464159.db2.gz SGCJDVWXSQFTCS-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000659739255 420464283 /nfs/dbraw/zinc/46/42/83/420464283.db2.gz PEASEHIVTXDEFC-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000659739381 420464482 /nfs/dbraw/zinc/46/44/82/420464482.db2.gz SGCJDVWXSQFTCS-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000659739253 420464538 /nfs/dbraw/zinc/46/45/38/420464538.db2.gz PEASEHIVTXDEFC-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000659739300 420465329 /nfs/dbraw/zinc/46/53/29/420465329.db2.gz QLBPHKAIAZTFRO-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000659750177 420466872 /nfs/dbraw/zinc/46/68/72/420466872.db2.gz MYRPHHTZCWSAFT-LBPRGKRZSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659750077 420467108 /nfs/dbraw/zinc/46/71/08/420467108.db2.gz MKLRGLRVHNAHRO-QWRGUYRKSA-N 2 1 270.377 -0.689 20 0 CBADMP C[NH+](C)CCn1ccc(NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000591450825 420479712 /nfs/dbraw/zinc/47/97/12/420479712.db2.gz UPFQPINBSGJZIB-NSHDSACASA-N 2 1 265.361 0.335 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000423779443 276032092 /nfs/dbraw/zinc/03/20/92/276032092.db2.gz UZPVDVJJEBHLFV-NEPJUHHUSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351533806 276074098 /nfs/dbraw/zinc/07/40/98/276074098.db2.gz IZLNIPIQYBTBHM-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CSC[NH2+]3)C2)CC1 ZINC000515651712 276200289 /nfs/dbraw/zinc/20/02/89/276200289.db2.gz LSJDTUUKAVQCGI-QWHCGFSZSA-N 2 1 298.456 -0.113 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000376453087 276391812 /nfs/dbraw/zinc/39/18/12/276391812.db2.gz BNIPBFZJIUYSKI-XQQFMLRXSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000376453087 276391814 /nfs/dbraw/zinc/39/18/14/276391814.db2.gz BNIPBFZJIUYSKI-XQQFMLRXSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+](C[C@H](O)CN1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000685569553 545082135 /nfs/dbraw/zinc/08/21/35/545082135.db2.gz VLZFNRXNVFKTCS-CABCVRRESA-N 2 1 283.416 -0.152 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000685569553 545082136 /nfs/dbraw/zinc/08/21/36/545082136.db2.gz VLZFNRXNVFKTCS-CABCVRRESA-N 2 1 283.416 -0.152 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419701258 277024141 /nfs/dbraw/zinc/02/41/41/277024141.db2.gz ZABLFLLYBJYWFJ-LLVKDONJSA-N 2 1 282.388 -0.545 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262300695 277035336 /nfs/dbraw/zinc/03/53/36/277035336.db2.gz XJFDWYXBOVRIDW-LBPRGKRZSA-N 2 1 275.418 0.000 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)C1 ZINC000442782996 277044035 /nfs/dbraw/zinc/04/40/35/277044035.db2.gz QXNOZDHNRUQLRT-IACUBPJLSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)C1 ZINC000442782996 277044037 /nfs/dbraw/zinc/04/40/37/277044037.db2.gz QXNOZDHNRUQLRT-IACUBPJLSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCC[C@H]2C(N)=O)CC1 ZINC000338303824 277089351 /nfs/dbraw/zinc/08/93/51/277089351.db2.gz OBGKUHHFZZMJLL-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)C[NH2+]CC3CC3)[C@@H]2C1 ZINC000423934976 277150714 /nfs/dbraw/zinc/15/07/14/277150714.db2.gz XPSBTRBVGIQYEF-OLZOCXBDSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC000427472897 277158500 /nfs/dbraw/zinc/15/85/00/277158500.db2.gz SUJGKOZEPBYRLN-GXTWGEPZSA-N 2 1 267.373 -0.204 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1 ZINC000427472897 277158501 /nfs/dbraw/zinc/15/85/01/277158501.db2.gz SUJGKOZEPBYRLN-GXTWGEPZSA-N 2 1 267.373 -0.204 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)C1 ZINC000427472897 277158502 /nfs/dbraw/zinc/15/85/02/277158502.db2.gz SUJGKOZEPBYRLN-GXTWGEPZSA-N 2 1 267.373 -0.204 20 0 CBADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000494943392 277159222 /nfs/dbraw/zinc/15/92/22/277159222.db2.gz WFZOCLNGILFCPU-GXFFZTMASA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000494943392 277159223 /nfs/dbraw/zinc/15/92/23/277159223.db2.gz WFZOCLNGILFCPU-GXFFZTMASA-N 2 1 255.362 -0.300 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418362985 277282011 /nfs/dbraw/zinc/28/20/11/277282011.db2.gz BQBSKUGAAORVBK-STQMWFEESA-N 2 1 286.420 -0.012 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)C1 ZINC000423379389 277300390 /nfs/dbraw/zinc/30/03/90/277300390.db2.gz LVCDSFIFOIYZLC-QWHCGFSZSA-N 2 1 296.415 -0.395 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)C1 ZINC000423379389 277300391 /nfs/dbraw/zinc/30/03/91/277300391.db2.gz LVCDSFIFOIYZLC-QWHCGFSZSA-N 2 1 296.415 -0.395 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000419411509 277300650 /nfs/dbraw/zinc/30/06/50/277300650.db2.gz PWQFNLNLEIKKGS-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422639356 277319223 /nfs/dbraw/zinc/31/92/23/277319223.db2.gz SODJLVVADLHCLJ-UTUOFQBUSA-N 2 1 285.388 -0.029 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422639356 277319225 /nfs/dbraw/zinc/31/92/25/277319225.db2.gz SODJLVVADLHCLJ-UTUOFQBUSA-N 2 1 285.388 -0.029 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000342753071 277319939 /nfs/dbraw/zinc/31/99/39/277319939.db2.gz PBGMFXZGLAUFOG-UWVGGRQHSA-N 2 1 257.334 -0.523 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCC[N@H+]1C ZINC000419566032 278083703 /nfs/dbraw/zinc/08/37/03/278083703.db2.gz ZMPXEBOAGQBGNR-AGIUHOORSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261616804 278139900 /nfs/dbraw/zinc/13/99/00/278139900.db2.gz CWCIBUQHNQBEQG-TYNCELHUSA-N 2 1 296.415 -0.231 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261616804 278139902 /nfs/dbraw/zinc/13/99/02/278139902.db2.gz CWCIBUQHNQBEQG-TYNCELHUSA-N 2 1 296.415 -0.231 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419959311 278365465 /nfs/dbraw/zinc/36/54/65/278365465.db2.gz XDTMDKWZAITTAA-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000424189331 278517495 /nfs/dbraw/zinc/51/74/95/278517495.db2.gz KMCWSJWWZJXFAX-VGMNWLOBSA-N 2 1 263.288 -0.523 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000342594530 288087337 /nfs/dbraw/zinc/08/73/37/288087337.db2.gz ZPVNOQGDKZOKNA-UPJWGTAASA-N 2 1 268.405 -0.454 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000342594530 288087338 /nfs/dbraw/zinc/08/73/38/288087338.db2.gz ZPVNOQGDKZOKNA-UPJWGTAASA-N 2 1 268.405 -0.454 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000342594530 288087339 /nfs/dbraw/zinc/08/73/39/288087339.db2.gz ZPVNOQGDKZOKNA-UPJWGTAASA-N 2 1 268.405 -0.454 20 0 CBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424143211 279068059 /nfs/dbraw/zinc/06/80/59/279068059.db2.gz ZKRPGKYZXRPHDD-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424143211 279068060 /nfs/dbraw/zinc/06/80/60/279068060.db2.gz ZKRPGKYZXRPHDD-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)[NH3+])C(C)C ZINC000420065188 279190818 /nfs/dbraw/zinc/19/08/18/279190818.db2.gz XFVGQUAMXYSYNO-UHFFFAOYSA-N 2 1 272.393 -0.314 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH2+]C)C1CC1 ZINC000419529390 279191254 /nfs/dbraw/zinc/19/12/54/279191254.db2.gz XNARMHLGNZRBQG-LLVKDONJSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419586306 279268350 /nfs/dbraw/zinc/26/83/50/279268350.db2.gz MTCCJHYHFBRRMK-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351522900 279297202 /nfs/dbraw/zinc/29/72/02/279297202.db2.gz MMIPCGXYWPYNTL-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419019486 279310416 /nfs/dbraw/zinc/31/04/16/279310416.db2.gz DQHXIFPXDJSODL-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000423438370 279357746 /nfs/dbraw/zinc/35/77/46/279357746.db2.gz UYCJGPTUWSFYAS-ZDUSSCGKSA-N 2 1 282.432 -0.014 20 0 CBADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418202456 279380384 /nfs/dbraw/zinc/38/03/84/279380384.db2.gz UGZAKOCVHLNFCU-QWHCGFSZSA-N 2 1 285.436 -0.082 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000429156725 279389128 /nfs/dbraw/zinc/38/91/28/279389128.db2.gz RWSXDRHBSCOFLA-TUAOUCFPSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000429156725 279389129 /nfs/dbraw/zinc/38/91/29/279389129.db2.gz RWSXDRHBSCOFLA-TUAOUCFPSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H](C[NH3+])C[C@H]2C)C1 ZINC000261684458 279390460 /nfs/dbraw/zinc/39/04/60/279390460.db2.gz IBBSPZCWTKDQOG-WOPDTQHZSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H](C[NH3+])C[C@H]2C)C1 ZINC000261684458 279390462 /nfs/dbraw/zinc/39/04/62/279390462.db2.gz IBBSPZCWTKDQOG-WOPDTQHZSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000195271965 279390475 /nfs/dbraw/zinc/39/04/75/279390475.db2.gz ZEFKRLJZBPITBQ-TUAOUCFPSA-N 2 1 253.346 -0.615 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000195271965 279390477 /nfs/dbraw/zinc/39/04/77/279390477.db2.gz ZEFKRLJZBPITBQ-TUAOUCFPSA-N 2 1 253.346 -0.615 20 0 CBADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2COCC[NH2+]2)C[C@@H](C)O1 ZINC000237502243 288159778 /nfs/dbraw/zinc/15/97/78/288159778.db2.gz ZJENAGSTGLUPDH-MCIONIFRSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C[N@H+]1C1CC1 ZINC000188272299 280006039 /nfs/dbraw/zinc/00/60/39/280006039.db2.gz NQPLSGXMZDNHIN-JBLDHEPKSA-N 2 1 253.346 -0.284 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351558007 280097723 /nfs/dbraw/zinc/09/77/23/280097723.db2.gz RFLSHULCVOGXRE-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000424196756 280104309 /nfs/dbraw/zinc/10/43/09/280104309.db2.gz VSGUUCGJKILRPP-AGIUHOORSA-N 2 1 267.373 -0.177 20 0 CBADMP O=C([C@H]1COCC[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000343644067 280144771 /nfs/dbraw/zinc/14/47/71/280144771.db2.gz QEPFFCUYHWTTJH-YPMHNXCESA-N 2 1 253.346 -0.423 20 0 CBADMP CC[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000423379207 280345581 /nfs/dbraw/zinc/34/55/81/280345581.db2.gz GKYXGWSYDBLUJA-NWDGAFQWSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000349008835 280348661 /nfs/dbraw/zinc/34/86/61/280348661.db2.gz WTOQIFOCFNMWGY-QWHCGFSZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000246554882 280373730 /nfs/dbraw/zinc/37/37/30/280373730.db2.gz UCPVAFZCKXCHFA-YRGRVCCFSA-N 2 1 287.379 -0.008 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000246554882 280373734 /nfs/dbraw/zinc/37/37/34/280373734.db2.gz UCPVAFZCKXCHFA-YRGRVCCFSA-N 2 1 287.379 -0.008 20 0 CBADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000333866431 280993686 /nfs/dbraw/zinc/99/36/86/280993686.db2.gz TUXYHNBOMXENJW-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000332234096 288300264 /nfs/dbraw/zinc/30/02/64/288300264.db2.gz NAOXMLQFHYXYFQ-IJLUTSLNSA-N 2 1 280.372 -0.759 20 0 CBADMP CC[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[N@H+]1C[C@H](C)O ZINC000446365580 281141909 /nfs/dbraw/zinc/14/19/09/281141909.db2.gz ZQDIGYUFGXQDJA-AVGNSLFASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000333830324 289036974 /nfs/dbraw/zinc/03/69/74/289036974.db2.gz MLSIMJOHJKOLAE-JHJVBQTASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NCCN2CC[NH2+]CC2)CCC[N@H+]1C ZINC000418003872 289055204 /nfs/dbraw/zinc/05/52/04/289055204.db2.gz NLZLGGOJOBLHDO-CHWSQXEVSA-N 2 1 283.420 -0.327 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000410734412 289126779 /nfs/dbraw/zinc/12/67/79/289126779.db2.gz YKMODOLDQURGNY-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@]1(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)CC[NH2+]C1 ZINC000261921199 289164949 /nfs/dbraw/zinc/16/49/49/289164949.db2.gz BPZVMAZFTORMCX-CHWSQXEVSA-N 2 1 266.345 -0.340 20 0 CBADMP C[C@@]1(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)CC[NH2+]C1 ZINC000261921199 289164952 /nfs/dbraw/zinc/16/49/52/289164952.db2.gz BPZVMAZFTORMCX-CHWSQXEVSA-N 2 1 266.345 -0.340 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430662302 289276557 /nfs/dbraw/zinc/27/65/57/289276557.db2.gz HLZOHCOZQJBHGU-UPJWGTAASA-N 2 1 296.415 -0.231 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430662302 289276558 /nfs/dbraw/zinc/27/65/58/289276558.db2.gz HLZOHCOZQJBHGU-UPJWGTAASA-N 2 1 296.415 -0.231 20 0 CBADMP C[C@H](CNC(=O)N1CC[NH2+][C@@H](C)C1)C[NH+]1CCOCC1 ZINC000417726252 289651042 /nfs/dbraw/zinc/65/10/42/289651042.db2.gz MLLQODGVVRXTKX-OLZOCXBDSA-N 2 1 284.404 -0.042 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)C[NH+]1CCOCC1 ZINC000188142384 289682985 /nfs/dbraw/zinc/68/29/85/289682985.db2.gz GODJWZRXFJPBPH-VXGBXAGGSA-N 2 1 271.361 -0.941 20 0 CBADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2COC[C@@H]2O)CC1 ZINC000361293836 290084846 /nfs/dbraw/zinc/08/48/46/290084846.db2.gz AQLJPSWFSMFTMK-YUTCNCBUSA-N 2 1 272.389 -0.229 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@@H]1C ZINC000246707546 290109602 /nfs/dbraw/zinc/10/96/02/290109602.db2.gz WSLDXNHBOOPXBC-GVXVVHGQSA-N 2 1 273.352 -0.399 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@@H]1C ZINC000246707546 290109604 /nfs/dbraw/zinc/10/96/04/290109604.db2.gz WSLDXNHBOOPXBC-GVXVVHGQSA-N 2 1 273.352 -0.399 20 0 CBADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCCS(N)(=O)=O)C2)C1 ZINC000336707172 290187393 /nfs/dbraw/zinc/18/73/93/290187393.db2.gz LRWOZKDWOWYLBU-LLVKDONJSA-N 2 1 261.391 -0.307 20 0 CBADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCS(N)(=O)=O)C2)C1 ZINC000336707172 290187394 /nfs/dbraw/zinc/18/73/94/290187394.db2.gz LRWOZKDWOWYLBU-LLVKDONJSA-N 2 1 261.391 -0.307 20 0 CBADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCS(N)(=O)=O)C2)C1 ZINC000336707172 290187395 /nfs/dbraw/zinc/18/73/95/290187395.db2.gz LRWOZKDWOWYLBU-LLVKDONJSA-N 2 1 261.391 -0.307 20 0 CBADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCS(N)(=O)=O)C2)C1 ZINC000336707172 290187396 /nfs/dbraw/zinc/18/73/96/290187396.db2.gz LRWOZKDWOWYLBU-LLVKDONJSA-N 2 1 261.391 -0.307 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000368570732 295050513 /nfs/dbraw/zinc/05/05/13/295050513.db2.gz YXDRDIHUZCGBIB-NWDGAFQWSA-N 2 1 282.388 -0.334 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2([NH3+])CCCC2)C1 ZINC000430895091 295107797 /nfs/dbraw/zinc/10/77/97/295107797.db2.gz RZNLDJIHJPAKLN-GFCCVEGCSA-N 2 1 296.415 -0.039 20 0 CBADMP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000331367811 295244622 /nfs/dbraw/zinc/24/46/22/295244622.db2.gz BQHWIDZUYWIBFL-YPMHNXCESA-N 2 1 294.399 -0.321 20 0 CBADMP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331682988 295252153 /nfs/dbraw/zinc/25/21/53/295252153.db2.gz UJIWPUCHGMWWNV-RWMBFGLXSA-N 2 1 294.399 -0.321 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)O1 ZINC000374519082 295274666 /nfs/dbraw/zinc/27/46/66/295274666.db2.gz IWZGXMMTSFMZKA-RFGFWPKPSA-N 2 1 297.399 -0.450 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000249133107 295306699 /nfs/dbraw/zinc/30/66/99/295306699.db2.gz MPBLOKBGVVDRGF-FRRDWIJNSA-N 2 1 294.399 -0.463 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3COCC[NH2+]3)C[C@@H]21 ZINC000342716656 295309101 /nfs/dbraw/zinc/30/91/01/295309101.db2.gz DFVLLDLUBIAJLX-WRWGMCAJSA-N 2 1 253.346 -0.439 20 0 CBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000419736163 295317553 /nfs/dbraw/zinc/31/75/53/295317553.db2.gz RMIMVEHMPKNEFM-DGCLKSJQSA-N 2 1 294.399 -0.321 20 0 CBADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000332189980 295339294 /nfs/dbraw/zinc/33/92/94/295339294.db2.gz UWSOUSQGKQNCJT-RYUDHWBXSA-N 2 1 280.372 -0.757 20 0 CBADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000332189980 295339295 /nfs/dbraw/zinc/33/92/95/295339295.db2.gz UWSOUSQGKQNCJT-RYUDHWBXSA-N 2 1 280.372 -0.757 20 0 CBADMP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000419736162 295339313 /nfs/dbraw/zinc/33/93/13/295339313.db2.gz RMIMVEHMPKNEFM-AAEUAGOBSA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000333294651 297274954 /nfs/dbraw/zinc/27/49/54/297274954.db2.gz IDSAWHMVLODELS-NQBHXWOUSA-N 2 1 282.388 -0.019 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000362388240 300224028 /nfs/dbraw/zinc/22/40/28/300224028.db2.gz FVBXYCUYRCTSFR-UONOGXRCSA-N 2 1 282.432 -0.110 20 0 CBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH3+] ZINC000418346898 300244945 /nfs/dbraw/zinc/24/49/45/300244945.db2.gz IELDPYNQPYAAOT-NSHDSACASA-N 2 1 272.393 -0.178 20 0 CBADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCN1CC[NH2+]CC1 ZINC000333870190 300313469 /nfs/dbraw/zinc/31/34/69/300313469.db2.gz UNIZXWZSXYSMCN-UONOGXRCSA-N 2 1 295.431 -0.230 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000418292096 303368205 /nfs/dbraw/zinc/36/82/05/303368205.db2.gz XGERYOYSIJZKJF-UHFFFAOYSA-N 2 1 279.335 -0.825 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000567876060 327928890 /nfs/dbraw/zinc/92/88/90/327928890.db2.gz OBSWRRIVRVIMEI-CHWSQXEVSA-N 2 1 268.357 -0.095 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000563271474 328005514 /nfs/dbraw/zinc/00/55/14/328005514.db2.gz TUFUIRZAVGHAOR-DZGCQCFKSA-N 3 1 287.448 -0.019 20 0 CBADMP CNC[C@@](C)(O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000563271474 328005515 /nfs/dbraw/zinc/00/55/15/328005515.db2.gz TUFUIRZAVGHAOR-DZGCQCFKSA-N 2 1 287.448 -0.019 20 0 CBADMP CNC[C@@](C)(O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000563271474 328005516 /nfs/dbraw/zinc/00/55/16/328005516.db2.gz TUFUIRZAVGHAOR-DZGCQCFKSA-N 2 1 287.448 -0.019 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000563584134 328074755 /nfs/dbraw/zinc/07/47/55/328074755.db2.gz KMQFOYAZZMRZEQ-CYBMUJFWSA-N 2 1 282.388 -0.074 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000563597505 328076100 /nfs/dbraw/zinc/07/61/00/328076100.db2.gz XSKWOPKYIXYZCX-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000563597505 328076101 /nfs/dbraw/zinc/07/61/01/328076101.db2.gz XSKWOPKYIXYZCX-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000563597505 328076103 /nfs/dbraw/zinc/07/61/03/328076103.db2.gz XSKWOPKYIXYZCX-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000563639900 328079644 /nfs/dbraw/zinc/07/96/44/328079644.db2.gz LFOMYGDLSMCVNX-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@H](C)CN1C ZINC000571209024 328093319 /nfs/dbraw/zinc/09/33/19/328093319.db2.gz HTVSZISEYMXIRP-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1C[N@H+](C)[C@H](C)CN1CCC(=O)N1CC[NH2+]CC1 ZINC000571209024 328093320 /nfs/dbraw/zinc/09/33/20/328093320.db2.gz HTVSZISEYMXIRP-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCC(=O)N1CC[NH2+]CC1 ZINC000571209024 328093321 /nfs/dbraw/zinc/09/33/21/328093321.db2.gz HTVSZISEYMXIRP-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000582486212 329096628 /nfs/dbraw/zinc/09/66/28/329096628.db2.gz HSGHXSKKBOQHCO-BETUJISGSA-N 3 1 266.389 -0.698 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000582486212 329096630 /nfs/dbraw/zinc/09/66/30/329096630.db2.gz HSGHXSKKBOQHCO-BETUJISGSA-N 3 1 266.389 -0.698 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC000582724938 329131012 /nfs/dbraw/zinc/13/10/12/329131012.db2.gz ZHPHMCUNGWJXNG-KOLCDFICSA-N 2 1 253.350 -0.205 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])C[N@H+]1C1CC1 ZINC000583095545 329315355 /nfs/dbraw/zinc/31/53/55/329315355.db2.gz NCCHQMVRPJEWFV-MNOVXSKESA-N 2 1 282.388 -0.465 20 0 CBADMP CC[NH+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000583133404 329319183 /nfs/dbraw/zinc/31/91/83/329319183.db2.gz VJTLYYVVLDOSLF-LBPRGKRZSA-N 2 1 269.393 -0.763 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)[N@H+]1CCC[C@H](C)C1 ZINC000557297413 327000853 /nfs/dbraw/zinc/00/08/53/327000853.db2.gz JYDPISBQVKBBOT-WDEREUQCSA-N 2 1 282.388 -0.689 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000569336391 327029802 /nfs/dbraw/zinc/02/98/02/327029802.db2.gz FWXRRUWGLJJNCD-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000576941066 327053245 /nfs/dbraw/zinc/05/32/45/327053245.db2.gz TWGXWLBYLWCJQX-TZMCWYRMSA-N 2 1 267.373 -0.176 20 0 CBADMP CCC[C@H]1C(=O)NCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000584173338 327057577 /nfs/dbraw/zinc/05/75/77/327057577.db2.gz ULDBRSSDBHVKIY-LBPRGKRZSA-N 2 1 254.378 -0.508 20 0 CBADMP CCC[C@H]1C(=O)NCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000584173338 327057578 /nfs/dbraw/zinc/05/75/78/327057578.db2.gz ULDBRSSDBHVKIY-LBPRGKRZSA-N 2 1 254.378 -0.508 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000584181226 327061100 /nfs/dbraw/zinc/06/11/00/327061100.db2.gz RYPLNNOLDXLIME-STQMWFEESA-N 2 1 287.404 -0.664 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000584181226 327061101 /nfs/dbraw/zinc/06/11/01/327061101.db2.gz RYPLNNOLDXLIME-STQMWFEESA-N 2 1 287.404 -0.664 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000584181226 327061103 /nfs/dbraw/zinc/06/11/03/327061103.db2.gz RYPLNNOLDXLIME-STQMWFEESA-N 2 1 287.404 -0.664 20 0 CBADMP CO[C@H]1CCN(C(=O)CC(F)(F)C[NH3+])[C@H](C[NH3+])C1 ZINC000584238935 327094328 /nfs/dbraw/zinc/09/43/28/327094328.db2.gz HSRHDSPRFYUNRU-IUCAKERBSA-N 2 1 265.304 -0.065 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000569341982 327098810 /nfs/dbraw/zinc/09/88/10/327098810.db2.gz DHLWYFDWLIVVRE-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000569341982 327098812 /nfs/dbraw/zinc/09/88/12/327098812.db2.gz DHLWYFDWLIVVRE-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCO)C[C@@H]1C ZINC000584239862 327112243 /nfs/dbraw/zinc/11/22/43/327112243.db2.gz OQJCAMFIEIEHJY-QWHCGFSZSA-N 2 1 259.394 -0.703 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](CCO)C[C@@H]1C ZINC000584239862 327112245 /nfs/dbraw/zinc/11/22/45/327112245.db2.gz OQJCAMFIEIEHJY-QWHCGFSZSA-N 2 1 259.394 -0.703 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+](CCO)C[C@@H]1C ZINC000584239862 327112246 /nfs/dbraw/zinc/11/22/46/327112246.db2.gz OQJCAMFIEIEHJY-QWHCGFSZSA-N 2 1 259.394 -0.703 20 0 CBADMP Cc1n[nH]c(C)c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000573221008 327128270 /nfs/dbraw/zinc/12/82/70/327128270.db2.gz WVOZMNLFKSHQIP-ZYHUDNBSSA-N 2 1 263.345 -0.230 20 0 CBADMP Cc1n[nH]c(C)c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000573221008 327128272 /nfs/dbraw/zinc/12/82/72/327128272.db2.gz WVOZMNLFKSHQIP-ZYHUDNBSSA-N 2 1 263.345 -0.230 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C2([NH3+])CCC2)CC1 ZINC000569357422 327162249 /nfs/dbraw/zinc/16/22/49/327162249.db2.gz KNPWMCSJAKSBBS-UHFFFAOYSA-N 2 1 296.415 -0.025 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000564656658 327198196 /nfs/dbraw/zinc/19/81/96/327198196.db2.gz WADZXGXVSFCODZ-JOYOIKCWSA-N 2 1 275.324 -0.573 20 0 CBADMP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000584294253 327224596 /nfs/dbraw/zinc/22/45/96/327224596.db2.gz KSOHRYQZUQZQMX-MGPQQGTHSA-N 2 1 298.431 -0.637 20 0 CBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCN1 ZINC000566230350 327248615 /nfs/dbraw/zinc/24/86/15/327248615.db2.gz HKUHWRCKJCNLGX-VXGBXAGGSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCN1 ZINC000566230350 327248617 /nfs/dbraw/zinc/24/86/17/327248617.db2.gz HKUHWRCKJCNLGX-VXGBXAGGSA-N 2 1 254.378 -0.523 20 0 CBADMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000566242154 327256259 /nfs/dbraw/zinc/25/62/59/327256259.db2.gz GHENHMDMCOJWTH-OAHLLOKOSA-N 3 1 280.416 -0.116 20 0 CBADMP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCNCC1 ZINC000566242154 327256261 /nfs/dbraw/zinc/25/62/61/327256261.db2.gz GHENHMDMCOJWTH-OAHLLOKOSA-N 2 1 280.416 -0.116 20 0 CBADMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCNCC1 ZINC000566242154 327256262 /nfs/dbraw/zinc/25/62/62/327256262.db2.gz GHENHMDMCOJWTH-OAHLLOKOSA-N 2 1 280.416 -0.116 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000574072582 327287855 /nfs/dbraw/zinc/28/78/55/327287855.db2.gz XWNOZMAPBLJHNK-KKOKHZNYSA-N 2 1 253.346 -0.569 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000583371390 327329589 /nfs/dbraw/zinc/32/95/89/327329589.db2.gz FFMYNEWWWVFIDM-AWEZNQCLSA-N 2 1 297.447 -0.077 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000574530249 327343689 /nfs/dbraw/zinc/34/36/89/327343689.db2.gz VNBFKYYIYYLDTE-VXGBXAGGSA-N 2 1 293.433 -0.701 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000584349875 328730707 /nfs/dbraw/zinc/73/07/07/328730707.db2.gz XJBMAWCCAMILIZ-JHJVBQTASA-N 2 1 285.388 -0.280 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@H]([NH3+])C(C)C)c1cnn(C)c1 ZINC000583692063 328982411 /nfs/dbraw/zinc/98/24/11/328982411.db2.gz CGXLBEPASOFNTJ-WDEREUQCSA-N 2 1 253.350 -0.220 20 0 CBADMP CC(C)C(=O)NCC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000393139538 329081208 /nfs/dbraw/zinc/08/12/08/329081208.db2.gz CPKZVHASXGPTAM-GFCCVEGCSA-N 2 1 257.378 -0.197 20 0 CBADMP CC(C)C(=O)NCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000393139538 329081209 /nfs/dbraw/zinc/08/12/09/329081209.db2.gz CPKZVHASXGPTAM-GFCCVEGCSA-N 2 1 257.378 -0.197 20 0 CBADMP CC(C)C(=O)NCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000393139538 329081211 /nfs/dbraw/zinc/08/12/11/329081211.db2.gz CPKZVHASXGPTAM-GFCCVEGCSA-N 2 1 257.378 -0.197 20 0 CBADMP CN1CCN(C(=O)CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000582486212 329096627 /nfs/dbraw/zinc/09/66/27/329096627.db2.gz HSGHXSKKBOQHCO-BETUJISGSA-N 2 1 266.389 -0.698 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000393967021 329097886 /nfs/dbraw/zinc/09/78/86/329097886.db2.gz RGEYJLCNIBOBEM-NEPJUHHUSA-N 2 1 262.394 -0.078 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000393967021 329097887 /nfs/dbraw/zinc/09/78/87/329097887.db2.gz RGEYJLCNIBOBEM-NEPJUHHUSA-N 2 1 262.394 -0.078 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000582846647 329279433 /nfs/dbraw/zinc/27/94/33/329279433.db2.gz XSMADJHWGKYVTP-UONOGXRCSA-N 2 1 290.367 -0.067 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000582846648 329279452 /nfs/dbraw/zinc/27/94/52/329279452.db2.gz XSMADJHWGKYVTP-ZIAGYGMSSA-N 2 1 290.367 -0.067 20 0 CBADMP C[C@@H](CNC(=O)C1([NH3+])CCC1)CN1CC[NH+](C)CC1 ZINC000582961713 329290317 /nfs/dbraw/zinc/29/03/17/329290317.db2.gz AGLUHZFKJJGPMW-LBPRGKRZSA-N 2 1 268.405 -0.133 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000583095628 329315373 /nfs/dbraw/zinc/31/53/73/329315373.db2.gz PPYTUBRHGMBISM-LLVKDONJSA-N 2 1 296.371 -0.194 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000583198177 329360176 /nfs/dbraw/zinc/36/01/76/329360176.db2.gz NKOQZNIXUSDPET-YNEHKIRRSA-N 2 1 294.399 -0.641 20 0 CBADMP C[C@@H](NC(=O)[C@H](C)[NH+]1CC(C)C1)C(=O)NCC[NH+](C)C ZINC000584539235 329518704 /nfs/dbraw/zinc/51/87/04/329518704.db2.gz MZDMRTSQEJRSID-NEPJUHHUSA-N 2 1 284.404 -0.491 20 0 CBADMP CC(C)[NH2+]CCC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000575865886 335125481 /nfs/dbraw/zinc/12/54/81/335125481.db2.gz YSWKHXLAMHSRAT-GFCCVEGCSA-N 2 1 284.404 -0.170 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000572527801 333185453 /nfs/dbraw/zinc/18/54/53/333185453.db2.gz NFYDWSQUEUSBLF-HIFRSBDPSA-N 2 1 280.416 -0.118 20 0 CBADMP C[N@@H+](C[C@@H](O)CN[C@@H](CO)C[NH+]1CCCCC1)C1CC1 ZINC000575988185 335138828 /nfs/dbraw/zinc/13/88/28/335138828.db2.gz AIPGDFRWJDEULA-HIFRSBDPSA-N 2 1 285.432 -0.122 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000576015750 335141894 /nfs/dbraw/zinc/14/18/94/335141894.db2.gz ZVXFXHTYCRCONL-UHFFFAOYSA-N 2 1 298.431 -0.050 20 0 CBADMP C[C@@H](C(=O)N1CCC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000576040439 335144373 /nfs/dbraw/zinc/14/43/73/335144373.db2.gz FYHLOPNGJYUFEW-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000576120807 335157490 /nfs/dbraw/zinc/15/74/90/335157490.db2.gz QLBSQKYZFYHCFO-AWEZNQCLSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000576120807 335157492 /nfs/dbraw/zinc/15/74/92/335157492.db2.gz QLBSQKYZFYHCFO-AWEZNQCLSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000576120807 335157494 /nfs/dbraw/zinc/15/74/94/335157494.db2.gz QLBSQKYZFYHCFO-AWEZNQCLSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729836 335165194 /nfs/dbraw/zinc/16/51/94/335165194.db2.gz RGASLPNTBIKNEB-LBPRGKRZSA-N 2 1 256.394 -0.180 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000311528328 334224411 /nfs/dbraw/zinc/22/44/11/334224411.db2.gz FBTJSQCRWBLHRO-MJBXVCDLSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000311528328 334224412 /nfs/dbraw/zinc/22/44/12/334224412.db2.gz FBTJSQCRWBLHRO-MJBXVCDLSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000311528328 334224413 /nfs/dbraw/zinc/22/44/13/334224413.db2.gz FBTJSQCRWBLHRO-MJBXVCDLSA-N 2 1 273.421 -0.050 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000572532737 334352653 /nfs/dbraw/zinc/35/26/53/334352653.db2.gz BUPMVPPZRFOHOF-NWDGAFQWSA-N 2 1 293.433 -0.782 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000572532737 334352655 /nfs/dbraw/zinc/35/26/55/334352655.db2.gz BUPMVPPZRFOHOF-NWDGAFQWSA-N 2 1 293.433 -0.782 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)CC[C@@H]21 ZINC000567573506 334359866 /nfs/dbraw/zinc/35/98/66/334359866.db2.gz ILHJUACESYKJNS-JQWIXIFHSA-N 2 1 280.372 -0.983 20 0 CBADMP C[NH2+][C@@H](C(=O)NCC1([NH3+])CCC1)c1cnn(C)c1 ZINC000564932100 334528676 /nfs/dbraw/zinc/52/86/76/334528676.db2.gz UJRUTXNZCSNPQB-SNVBAGLBSA-N 2 1 251.334 -0.322 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000564949351 334529905 /nfs/dbraw/zinc/52/99/05/334529905.db2.gz HRYXBAVLPJNCFK-ZIAGYGMSSA-N 2 1 290.367 -0.067 20 0 CBADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC000565960061 334612582 /nfs/dbraw/zinc/61/25/82/334612582.db2.gz XIGPUBALPUDKHI-AVGNSLFASA-N 2 1 291.351 -0.688 20 0 CBADMP O=C([C@@H]1CSC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000566859291 334667323 /nfs/dbraw/zinc/66/73/23/334667323.db2.gz RSTOYAOGOMPEEY-QWRGUYRKSA-N 2 1 270.402 -0.845 20 0 CBADMP O=C(COC1C[NH2+]C1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000567822678 334764875 /nfs/dbraw/zinc/76/48/75/334764875.db2.gz JPTNZYXYLJMMEE-KBPBESRZSA-N 2 1 297.399 -0.266 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000568231007 334806562 /nfs/dbraw/zinc/80/65/62/334806562.db2.gz JJWPHXJDIBBPNN-QWRGUYRKSA-N 2 1 268.361 -0.983 20 0 CBADMP [NH3+]CCCn1cc(C(=O)NCC[NH+]2CCSCC2)nn1 ZINC000568506759 334827725 /nfs/dbraw/zinc/82/77/25/334827725.db2.gz MTBVSMRGYDSFTA-UHFFFAOYSA-N 2 1 298.416 -0.595 20 0 CBADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000573091119 334907439 /nfs/dbraw/zinc/90/74/39/334907439.db2.gz VSVNLTJWHZVMDK-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000576574363 335220227 /nfs/dbraw/zinc/22/02/27/335220227.db2.gz CMNPOKWMINEIMY-HUUCEWRRSA-N 2 1 285.432 -0.047 20 0 CBADMP C[NH2+][C@H](C)C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000576716854 335239600 /nfs/dbraw/zinc/23/96/00/335239600.db2.gz XLOFFZLJCQERKT-LLVKDONJSA-N 2 1 292.387 -0.201 20 0 CBADMP CCOC[C@@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000580564165 335287091 /nfs/dbraw/zinc/28/70/91/335287091.db2.gz MSJIPLMEOGOXRI-ZDUSSCGKSA-N 2 1 260.378 -0.180 20 0 CBADMP CCOC[C@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000580564163 335287197 /nfs/dbraw/zinc/28/71/97/335287197.db2.gz MSJIPLMEOGOXRI-CYBMUJFWSA-N 2 1 260.378 -0.180 20 0 CBADMP C[N@@H+](C[C@H](O)CNCCC[NH+]1CCC(O)CC1)C1CC1 ZINC000577493175 335358999 /nfs/dbraw/zinc/35/89/99/335358999.db2.gz WIZXFAHCGPLDQX-OAHLLOKOSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000577513854 335363305 /nfs/dbraw/zinc/36/33/05/335363305.db2.gz ZXPDGZLWODSUMP-STQMWFEESA-N 2 1 268.357 -0.095 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000577725975 335392713 /nfs/dbraw/zinc/39/27/13/335392713.db2.gz GUBJSLCMDJGHFT-NSHDSACASA-N 2 1 280.376 -0.159 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000577751526 335397587 /nfs/dbraw/zinc/39/75/87/335397587.db2.gz JIZWKRPQLUUPGZ-QJPTWQEYSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)C[NH+]1CCOCC1 ZINC000578326505 335610660 /nfs/dbraw/zinc/61/06/60/335610660.db2.gz YWETXXIXYKMKCF-BZPMIXESSA-N 2 1 267.373 -0.177 20 0 CBADMP CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000578638554 335657105 /nfs/dbraw/zinc/65/71/05/335657105.db2.gz LKYZTIREAQNZNL-RNJOBUHISA-N 2 1 267.373 -0.097 20 0 CBADMP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000581370788 336063315 /nfs/dbraw/zinc/06/33/15/336063315.db2.gz CAJKPVQUFOSCER-FZMZJTMJSA-N 2 1 292.383 -0.285 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000581370980 336063335 /nfs/dbraw/zinc/06/33/35/336063335.db2.gz JVJYXNPWQOYNLG-TUAOUCFPSA-N 2 1 277.372 -0.109 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000581546943 336099909 /nfs/dbraw/zinc/09/99/09/336099909.db2.gz PKVWJPWLTAEYCI-QWRGUYRKSA-N 2 1 260.382 -0.274 20 0 CBADMP CS(=O)(=O)NCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000581608496 336111677 /nfs/dbraw/zinc/11/16/77/336111677.db2.gz OWBSSZHIMQGYAL-NEPJUHHUSA-N 2 1 275.418 -0.143 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CCC(=O)N1CCOCC1)C1CC1 ZINC000383811841 336118179 /nfs/dbraw/zinc/11/81/79/336118179.db2.gz FJBSOSWIHZZGJO-CYBMUJFWSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CCC(=O)N1CCOCC1)C1CC1 ZINC000383811841 336118181 /nfs/dbraw/zinc/11/81/81/336118181.db2.gz FJBSOSWIHZZGJO-CYBMUJFWSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+](CCN1C(=O)NC(C)(C)C1=O)C1CC([NH3+])C1 ZINC000384801420 336131545 /nfs/dbraw/zinc/13/15/45/336131545.db2.gz YDZVGXQJKOTVCX-UHFFFAOYSA-N 2 1 254.334 -0.262 20 0 CBADMP C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C1CC([NH3+])C1 ZINC000384801420 336131546 /nfs/dbraw/zinc/13/15/46/336131546.db2.gz YDZVGXQJKOTVCX-UHFFFAOYSA-N 2 1 254.334 -0.262 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+]C1(CO)CCCC1 ZINC000385202763 336142000 /nfs/dbraw/zinc/14/20/00/336142000.db2.gz UQXQZHLYOYANMV-GFCCVEGCSA-N 2 1 260.378 -0.180 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1(CO)CCCC1 ZINC000385202763 336142001 /nfs/dbraw/zinc/14/20/01/336142001.db2.gz UQXQZHLYOYANMV-GFCCVEGCSA-N 2 1 260.378 -0.180 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)C1CC1 ZINC000581777855 336146006 /nfs/dbraw/zinc/14/60/06/336146006.db2.gz FXFGIWWZJHHWAG-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH2+][C@H](C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000581894548 336162179 /nfs/dbraw/zinc/16/21/79/336162179.db2.gz WQZQUFBYUNDWSF-ZJUUUORDSA-N 2 1 256.350 -0.950 20 0 CBADMP CCCCNC(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000581895966 336162488 /nfs/dbraw/zinc/16/24/88/336162488.db2.gz VBKVOPFGUQFZFZ-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP CCCCNC(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000581895966 336162489 /nfs/dbraw/zinc/16/24/89/336162489.db2.gz VBKVOPFGUQFZFZ-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000159048783 521707094 /nfs/dbraw/zinc/70/70/94/521707094.db2.gz WWXWTLJPWWNZPM-JSGCOSHPSA-N 2 1 267.373 -0.081 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000159048783 521707096 /nfs/dbraw/zinc/70/70/96/521707096.db2.gz WWXWTLJPWWNZPM-JSGCOSHPSA-N 2 1 267.373 -0.081 20 0 CBADMP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+](C2CC2)CC1 ZINC000367162119 534595465 /nfs/dbraw/zinc/59/54/65/534595465.db2.gz XPTLZFKJECQMDL-AWEZNQCLSA-N 2 1 278.400 -0.317 20 0 CBADMP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC[NH+](C2CC2)CC1 ZINC000367162119 534595471 /nfs/dbraw/zinc/59/54/71/534595471.db2.gz XPTLZFKJECQMDL-AWEZNQCLSA-N 2 1 278.400 -0.317 20 0 CBADMP COC[C@H](CO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000353150116 522684444 /nfs/dbraw/zinc/68/44/44/522684444.db2.gz INJWKPYMMVLNKS-ZDUSSCGKSA-N 2 1 295.387 -0.675 20 0 CBADMP CS(=O)(=O)CC[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000843073211 583199800 /nfs/dbraw/zinc/19/98/00/583199800.db2.gz OMQFLVXAWHVKAT-GFCCVEGCSA-N 2 1 278.418 -0.143 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000725898990 582135983 /nfs/dbraw/zinc/13/59/83/582135983.db2.gz ZADKEIQRJMXAFK-UONOGXRCSA-N 2 1 297.399 -0.312 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000725898990 582135984 /nfs/dbraw/zinc/13/59/84/582135984.db2.gz ZADKEIQRJMXAFK-UONOGXRCSA-N 2 1 297.399 -0.312 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000731879317 582154921 /nfs/dbraw/zinc/15/49/21/582154921.db2.gz WVBNHVJMXYXMGB-ZIAGYGMSSA-N 2 1 296.415 -0.787 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000731879317 582154923 /nfs/dbraw/zinc/15/49/23/582154923.db2.gz WVBNHVJMXYXMGB-ZIAGYGMSSA-N 2 1 296.415 -0.787 20 0 CBADMP CN1CC[N@H+](C)C[C@@H]1CNC(=S)NCCC[NH+](C)C ZINC000731948427 582155886 /nfs/dbraw/zinc/15/58/86/582155886.db2.gz ZGMQYVJUJPPQDB-LBPRGKRZSA-N 2 1 287.477 -0.352 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=S)NCCC[NH+](C)C ZINC000731948427 582155888 /nfs/dbraw/zinc/15/58/88/582155888.db2.gz ZGMQYVJUJPPQDB-LBPRGKRZSA-N 2 1 287.477 -0.352 20 0 CBADMP C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC000732061643 582156059 /nfs/dbraw/zinc/15/60/59/582156059.db2.gz KOOULHCCZJSZSI-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC000732061643 582156060 /nfs/dbraw/zinc/15/60/60/582156060.db2.gz KOOULHCCZJSZSI-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP COCCC[N@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC000741727174 582270677 /nfs/dbraw/zinc/27/06/77/582270677.db2.gz NMCPUHKBMQFCES-UHFFFAOYSA-N 2 1 287.404 -0.207 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC000741727174 582270678 /nfs/dbraw/zinc/27/06/78/582270678.db2.gz NMCPUHKBMQFCES-UHFFFAOYSA-N 2 1 287.404 -0.207 20 0 CBADMP O=C(NCC[NH+]1CCC1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000752666714 582295456 /nfs/dbraw/zinc/29/54/56/582295456.db2.gz IWDMVSYMUOSEII-STQMWFEESA-N 2 1 282.388 -0.146 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](CO)C2CC2)CC1 ZINC000763072209 582319464 /nfs/dbraw/zinc/31/94/64/582319464.db2.gz UCTHGUPUNFDRIN-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+](C)CCNC(=S)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000782402810 582368747 /nfs/dbraw/zinc/36/87/47/582368747.db2.gz YLTNFJATOPVYOQ-PHIMTYICSA-N 2 1 256.419 -0.084 20 0 CBADMP C[C@H]1CCC[N@@H+]1CCNC(=O)CN1CC[NH+](C)CC1 ZINC000783918034 582373072 /nfs/dbraw/zinc/37/30/72/582373072.db2.gz CGWNNUUAEWUDMG-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)CN1CC[NH+](C)CC1 ZINC000783918034 582373073 /nfs/dbraw/zinc/37/30/73/582373073.db2.gz CGWNNUUAEWUDMG-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CNC(=O)[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000788487576 582386211 /nfs/dbraw/zinc/38/62/11/582386211.db2.gz CGJNQWXFARONGB-GFCCVEGCSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+]1CCC(C[NH+]2CCN(S(C)(=O)=O)CC2)CC1 ZINC000788475990 582386224 /nfs/dbraw/zinc/38/62/24/582386224.db2.gz KTQCKROAEZUTSG-UHFFFAOYSA-N 2 1 275.418 -0.095 20 0 CBADMP O=C1C[C@@]2(CC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)CN1 ZINC000789355427 582388232 /nfs/dbraw/zinc/38/82/32/582388232.db2.gz RQNYQFXZWXMSPQ-JSGCOSHPSA-N 2 1 267.373 -0.345 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C[C@@H](O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000800377149 582422563 /nfs/dbraw/zinc/42/25/63/582422563.db2.gz MYKVLANHVYWGJX-KKUMJFAQSA-N 2 1 285.432 -0.170 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](CO)C2CC2)CC1 ZINC000801539131 582424514 /nfs/dbraw/zinc/42/45/14/582424514.db2.gz BOQZGXUOSTXEKX-GFCCVEGCSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)NC ZINC000801512447 582424525 /nfs/dbraw/zinc/42/45/25/582424525.db2.gz VOUUQUFGPGTYLV-UHFFFAOYSA-N 2 1 270.377 -0.782 20 0 CBADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)NC ZINC000801512447 582424526 /nfs/dbraw/zinc/42/45/26/582424526.db2.gz VOUUQUFGPGTYLV-UHFFFAOYSA-N 2 1 270.377 -0.782 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC000801547318 582424618 /nfs/dbraw/zinc/42/46/18/582424618.db2.gz NIVSCTKGCNNSQU-OCCSQVGLSA-N 2 1 267.373 -0.535 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC000801547318 582424619 /nfs/dbraw/zinc/42/46/19/582424619.db2.gz NIVSCTKGCNNSQU-OCCSQVGLSA-N 2 1 267.373 -0.535 20 0 CBADMP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cnn(C)n2)CC1 ZINC000815115935 582460772 /nfs/dbraw/zinc/46/07/72/582460772.db2.gz RUMPMNORHOAFJM-GFCCVEGCSA-N 2 1 266.393 -0.069 20 0 CBADMP NC(=O)NC(=O)CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000818985932 582524294 /nfs/dbraw/zinc/52/42/94/582524294.db2.gz AIBBOFICRPZSNJ-ZJUUUORDSA-N 2 1 270.333 -0.976 20 0 CBADMP NC(=O)NC(=O)CC[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000818985932 582524295 /nfs/dbraw/zinc/52/42/95/582524295.db2.gz AIBBOFICRPZSNJ-ZJUUUORDSA-N 2 1 270.333 -0.976 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)C2CC2)C1 ZINC000819004022 582524692 /nfs/dbraw/zinc/52/46/92/582524692.db2.gz JOLWILOZCLXSOD-STQMWFEESA-N 2 1 269.389 -0.066 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000822933320 582653404 /nfs/dbraw/zinc/65/34/04/582653404.db2.gz DFPCRHYJEANQIW-STQMWFEESA-N 2 1 267.373 -0.250 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000822933317 582653486 /nfs/dbraw/zinc/65/34/86/582653486.db2.gz DFPCRHYJEANQIW-CHWSQXEVSA-N 2 1 267.373 -0.250 20 0 CBADMP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C[NH+]1CCCC1 ZINC000823683217 582677249 /nfs/dbraw/zinc/67/72/49/582677249.db2.gz RMNXIXACVMMQDX-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C[NH+]1CCCC1 ZINC000823683217 582677251 /nfs/dbraw/zinc/67/72/51/582677251.db2.gz RMNXIXACVMMQDX-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1CC[NH+](C)CC1 ZINC000825297560 582731740 /nfs/dbraw/zinc/73/17/40/582731740.db2.gz AGMFVNOAVLOXBF-UHFFFAOYSA-N 2 1 296.415 -0.439 20 0 CBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]21 ZINC000827309798 582810656 /nfs/dbraw/zinc/81/06/56/582810656.db2.gz HYXKTFJUWQSRSR-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]21 ZINC000827309798 582810658 /nfs/dbraw/zinc/81/06/58/582810658.db2.gz HYXKTFJUWQSRSR-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]21 ZINC000827309798 582810659 /nfs/dbraw/zinc/81/06/59/582810659.db2.gz HYXKTFJUWQSRSR-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]21 ZINC000827309798 582810660 /nfs/dbraw/zinc/81/06/60/582810660.db2.gz HYXKTFJUWQSRSR-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000827577198 582824588 /nfs/dbraw/zinc/82/45/88/582824588.db2.gz FKWMBRRZKGERKP-JSGCOSHPSA-N 2 1 285.388 -0.674 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000827577198 582824590 /nfs/dbraw/zinc/82/45/90/582824590.db2.gz FKWMBRRZKGERKP-JSGCOSHPSA-N 2 1 285.388 -0.674 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000828357944 582853863 /nfs/dbraw/zinc/85/38/63/582853863.db2.gz GNDDQCOUVSGZIK-STQMWFEESA-N 2 1 296.415 -0.183 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000829287019 582884785 /nfs/dbraw/zinc/88/47/85/582884785.db2.gz NOKYWPLWKSOWSK-PWSUYJOCSA-N 2 1 258.341 -0.950 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@@H]3[NH3+])C2)CC1 ZINC000829484718 582888205 /nfs/dbraw/zinc/88/82/05/582888205.db2.gz WSNQWRCLQJMKFR-RTXFEEFZSA-N 2 1 266.389 -0.382 20 0 CBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3C[C@@H]3[NH3+])C2)CC1 ZINC000829484718 582888208 /nfs/dbraw/zinc/88/82/08/582888208.db2.gz WSNQWRCLQJMKFR-RTXFEEFZSA-N 2 1 266.389 -0.382 20 0 CBADMP CCO[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C[NH+](C)C ZINC000831746551 583000605 /nfs/dbraw/zinc/00/06/05/583000605.db2.gz YJFBWJVTKCRBSH-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CCO[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C[NH+](C)C ZINC000831746551 583000606 /nfs/dbraw/zinc/00/06/06/583000606.db2.gz YJFBWJVTKCRBSH-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CCO[C@H](CNC(=O)CC[NH+]1CCOCC1)C[NH+](C)C ZINC000831751602 583001292 /nfs/dbraw/zinc/00/12/92/583001292.db2.gz NWFKUARPGVQXPY-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000831971510 583009404 /nfs/dbraw/zinc/00/94/04/583009404.db2.gz ZRMNJJDTCVFGQO-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831971334 583009487 /nfs/dbraw/zinc/00/94/87/583009487.db2.gz VJMODBRMISEUCI-MNOVXSKESA-N 2 1 271.361 -0.133 20 0 CBADMP O=C(NCC[N@@H+]1CCCOCC1)[C@@]1(F)CC[NH2+]C1 ZINC000832002428 583010338 /nfs/dbraw/zinc/01/03/38/583010338.db2.gz LGWRDIUZJJUWRI-GFCCVEGCSA-N 2 1 259.325 -0.474 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@@]1(F)CC[NH2+]C1 ZINC000832002428 583010340 /nfs/dbraw/zinc/01/03/40/583010340.db2.gz LGWRDIUZJJUWRI-GFCCVEGCSA-N 2 1 259.325 -0.474 20 0 CBADMP [NH3+][C@H](CC(=O)NCC[N@H+]1CCCOCC1)C1CC1 ZINC000832002584 583010398 /nfs/dbraw/zinc/01/03/98/583010398.db2.gz PUYXZMCANCHBRX-GFCCVEGCSA-N 2 1 255.362 -0.048 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CCCC[N@H+]1CCO ZINC000833559457 583073539 /nfs/dbraw/zinc/07/35/39/583073539.db2.gz PQERGOZOAAWGEL-CQSZACIVSA-N 2 1 299.415 -0.328 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000833559457 583073542 /nfs/dbraw/zinc/07/35/42/583073542.db2.gz PQERGOZOAAWGEL-CQSZACIVSA-N 2 1 299.415 -0.328 20 0 CBADMP [NH3+]CCCCCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000834536408 583130496 /nfs/dbraw/zinc/13/04/96/583130496.db2.gz ADXYIQYUSZCRRL-CYBMUJFWSA-N 2 1 296.415 -0.072 20 0 CBADMP C[NH+](C)CCNC(=S)NC[C@@H]1CCC[N@H+]1CCCO ZINC000840778908 583167568 /nfs/dbraw/zinc/16/75/68/583167568.db2.gz HFKHLVGTURBFPM-LBPRGKRZSA-N 2 1 288.461 -0.141 20 0 CBADMP CN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CC([NH3+])C1 ZINC000841790483 583173985 /nfs/dbraw/zinc/17/39/85/583173985.db2.gz XIBNWFVLYXLXEN-PYNQCMFNSA-N 2 1 282.388 -0.019 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000841789757 583174031 /nfs/dbraw/zinc/17/40/31/583174031.db2.gz QMHPBRZLJZUHGS-QJPTWQEYSA-N 2 1 270.377 -0.114 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N[C@@H]1CCC[NH2+]C1 ZINC000841790755 583174420 /nfs/dbraw/zinc/17/44/20/583174420.db2.gz JDIBMNFFJJBZMD-AGIUHOORSA-N 2 1 282.388 -0.099 20 0 CBADMP C[C@H]1CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH2+]1 ZINC000841790812 583174541 /nfs/dbraw/zinc/17/45/41/583174541.db2.gz KLELBMHZCDBKRP-XQQFMLRXSA-N 2 1 282.388 -0.147 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H]1CCC[NH2+]C1 ZINC000841790758 583174567 /nfs/dbraw/zinc/17/45/67/583174567.db2.gz JDIBMNFFJJBZMD-JHJVBQTASA-N 2 1 282.388 -0.099 20 0 CBADMP O=C([C@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1)N1CC[NH2+]CC1 ZINC000843347856 583211345 /nfs/dbraw/zinc/21/13/45/583211345.db2.gz WSHKETOGNOTASS-NWDGAFQWSA-N 2 1 281.356 -0.554 20 0 CBADMP O=C([C@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1)N1CC[NH2+]CC1 ZINC000843347856 583211347 /nfs/dbraw/zinc/21/13/47/583211347.db2.gz WSHKETOGNOTASS-NWDGAFQWSA-N 2 1 281.356 -0.554 20 0 CBADMP O=C([C@@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1)N1CC[NH2+]CC1 ZINC000843347860 583211389 /nfs/dbraw/zinc/21/13/89/583211389.db2.gz WSHKETOGNOTASS-VXGBXAGGSA-N 2 1 281.356 -0.554 20 0 CBADMP O=C([C@@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1)N1CC[NH2+]CC1 ZINC000843347860 583211391 /nfs/dbraw/zinc/21/13/91/583211391.db2.gz WSHKETOGNOTASS-VXGBXAGGSA-N 2 1 281.356 -0.554 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCN1CCOC1=O ZINC000843377325 583213785 /nfs/dbraw/zinc/21/37/85/583213785.db2.gz TVIVFEWFGNOSRN-GFCCVEGCSA-N 2 1 298.387 -0.242 20 0 CBADMP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000843481540 583226288 /nfs/dbraw/zinc/22/62/88/583226288.db2.gz XTOPVHCEGCBVGW-NXEZZACHSA-N 2 1 277.315 -0.180 20 0 CBADMP O=C(CO[C@H]1CCC[NH2+]C1)NCC[N@H+]1CCCOCC1 ZINC000843495751 583229234 /nfs/dbraw/zinc/22/92/34/583229234.db2.gz QHTOVCSNPQRTMU-ZDUSSCGKSA-N 2 1 285.388 -0.407 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000844167595 583255584 /nfs/dbraw/zinc/25/55/84/583255584.db2.gz LCCNACTYHHZXTK-LBPRGKRZSA-N 2 1 255.362 -0.096 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[NH2+]CC)CC1 ZINC000844170144 583256124 /nfs/dbraw/zinc/25/61/24/583256124.db2.gz HASILHVMVMNEIJ-UHFFFAOYSA-N 2 1 284.404 -0.297 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844170952 583256276 /nfs/dbraw/zinc/25/62/76/583256276.db2.gz OCLZFJLSQLSWJL-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000844179002 583257971 /nfs/dbraw/zinc/25/79/71/583257971.db2.gz CLHONJJPYASAEF-BFHYXJOUSA-N 2 1 297.399 -0.266 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844181276 583258397 /nfs/dbraw/zinc/25/83/97/583258397.db2.gz WYNYVKGFQBZHGF-KVSVUVNWSA-N 2 1 265.357 -0.569 20 0 CBADMP O=C(N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@]1(F)CC[NH2+]C1 ZINC000844182136 583258463 /nfs/dbraw/zinc/25/84/63/583258463.db2.gz FMIALMBXTSZQJK-BZPMIXESSA-N 2 1 285.363 -0.254 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844182474 583259072 /nfs/dbraw/zinc/25/90/72/583259072.db2.gz GFYFADISQGTBBR-QWHCGFSZSA-N 2 1 285.388 -0.408 20 0 CBADMP CN(C)C(=O)[C@H]1C[N@@H+](CCCCCC[NH3+])CCN1 ZINC000846220306 583356057 /nfs/dbraw/zinc/35/60/57/583356057.db2.gz FLKNDXFHEWJVAT-GFCCVEGCSA-N 2 1 256.394 -0.133 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000846345568 583359161 /nfs/dbraw/zinc/35/91/61/583359161.db2.gz YRDWGDSIOAZGGN-NSHDSACASA-N 2 1 272.393 -0.456 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000846716614 583385681 /nfs/dbraw/zinc/38/56/81/583385681.db2.gz DFCVWIHDOANTRO-NWDGAFQWSA-N 2 1 256.394 -0.134 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848616412 583453299 /nfs/dbraw/zinc/45/32/99/583453299.db2.gz MGZDBLJRZGDTRB-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1CN(C(=[NH2+])NCCC[NH+]2CCOCC2)CCO1 ZINC000848980395 583463571 /nfs/dbraw/zinc/46/35/71/583463571.db2.gz HYDLWFLFORZGCX-GFCCVEGCSA-N 2 1 270.377 -0.046 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N(C)C ZINC000848982049 583464083 /nfs/dbraw/zinc/46/40/83/583464083.db2.gz OPQSFWQKFCDQRI-SNVBAGLBSA-N 2 1 255.366 -0.327 20 0 CBADMP COCCNC(=[NH2+])NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000848999345 583465429 /nfs/dbraw/zinc/46/54/29/583465429.db2.gz XSFMLFYENHXHDZ-LLVKDONJSA-N 2 1 285.392 -0.666 20 0 CBADMP CC(C)(O)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849020059 583468906 /nfs/dbraw/zinc/46/89/06/583468906.db2.gz AFTRSERYFRZNJN-UHFFFAOYSA-N 2 1 272.393 -0.016 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCC(F)F ZINC000849026087 583469214 /nfs/dbraw/zinc/46/92/14/583469214.db2.gz UIHFGOCYVSERCP-VIFPVBQESA-N 2 1 291.346 -0.034 20 0 CBADMP Cn1ncc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000849027636 583469532 /nfs/dbraw/zinc/46/95/32/583469532.db2.gz MXAOEYKHHUCJCS-UHFFFAOYSA-N 2 1 281.364 -0.849 20 0 CBADMP C[C@@]1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCC(=O)N1 ZINC000849039324 583470713 /nfs/dbraw/zinc/47/07/13/583470713.db2.gz SHLYPKURUHERLU-AWEZNQCLSA-N 2 1 297.403 -0.509 20 0 CBADMP Cn1cnc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000849040287 583470999 /nfs/dbraw/zinc/47/09/99/583470999.db2.gz RCQIBLBKUFTDBZ-UHFFFAOYSA-N 2 1 294.403 -0.201 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)Cn1ccnn1 ZINC000849041095 583471032 /nfs/dbraw/zinc/47/10/32/583471032.db2.gz KCOHRHVVZKFSDW-NEPJUHHUSA-N 2 1 295.391 -0.763 20 0 CBADMP C[NH+](C)C1(CNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000849043796 583471498 /nfs/dbraw/zinc/47/14/98/583471498.db2.gz VJYDYJOPKGXGOB-UHFFFAOYSA-N 2 1 283.420 -0.083 20 0 CBADMP C[NH+](C)CCn1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000849136559 583472200 /nfs/dbraw/zinc/47/22/00/583472200.db2.gz JRINXILWHNLTKK-LBPRGKRZSA-N 2 1 253.350 -0.204 20 0 CBADMP C[NH+](C)CCn1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000849136559 583472203 /nfs/dbraw/zinc/47/22/03/583472203.db2.gz JRINXILWHNLTKK-LBPRGKRZSA-N 2 1 253.350 -0.204 20 0 CBADMP O=C1OCCN1C1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000852761264 583552255 /nfs/dbraw/zinc/55/22/55/583552255.db2.gz SXZAAPVPSPTXOS-GFCCVEGCSA-N 2 1 269.345 -0.109 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)=NO1 ZINC000852854483 583561238 /nfs/dbraw/zinc/56/12/38/583561238.db2.gz HYPVGVZUUVGNMJ-NEPJUHHUSA-N 2 1 296.371 -0.587 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)C2=NO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000852857218 583561754 /nfs/dbraw/zinc/56/17/54/583561754.db2.gz MKENERINELXXBC-TUAOUCFPSA-N 2 1 298.387 -0.295 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852860133 583562115 /nfs/dbraw/zinc/56/21/15/583562115.db2.gz KXMRKYBHEFZYPE-ZJUUUORDSA-N 2 1 254.334 -0.452 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852859035 583562139 /nfs/dbraw/zinc/56/21/39/583562139.db2.gz MQIRMTKGZHLWHF-JTQLQIEISA-N 2 1 265.317 -0.199 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)=NO1 ZINC000852860811 583562461 /nfs/dbraw/zinc/56/24/61/583562461.db2.gz VIPZMWOWCWOIDQ-ONGXEEELSA-N 2 1 266.345 -0.310 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)=NO1 ZINC000852860809 583562626 /nfs/dbraw/zinc/56/26/26/583562626.db2.gz VIPZMWOWCWOIDQ-KOLCDFICSA-N 2 1 266.345 -0.310 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)=NO1 ZINC000852863121 583563272 /nfs/dbraw/zinc/56/32/72/583563272.db2.gz QPLCMYYMZFSRKK-WPRPVWTQSA-N 2 1 252.318 -0.557 20 0 CBADMP C[C@@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)C[NH+]1CCOCC1 ZINC000852863400 583563298 /nfs/dbraw/zinc/56/32/98/583563298.db2.gz NEZSMPXBUBNISC-WDEREUQCSA-N 2 1 284.360 -0.826 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852870544 583564793 /nfs/dbraw/zinc/56/47/93/583564793.db2.gz VQSKBMJETDQGPO-QWRGUYRKSA-N 2 1 268.361 -0.110 20 0 CBADMP CC(C)OCC[NH+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852871042 583565055 /nfs/dbraw/zinc/56/50/55/583565055.db2.gz UFWBAYKBXUBETI-GFCCVEGCSA-N 2 1 298.387 -0.341 20 0 CBADMP CC(C)OCC[NH+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852871043 583565104 /nfs/dbraw/zinc/56/51/04/583565104.db2.gz UFWBAYKBXUBETI-LBPRGKRZSA-N 2 1 298.387 -0.341 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852872889 583565491 /nfs/dbraw/zinc/56/54/91/583565491.db2.gz SPCAHNNRFPLOOO-UBHAPETDSA-N 2 1 266.345 -0.311 20 0 CBADMP C[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000852898327 583572074 /nfs/dbraw/zinc/57/20/74/583572074.db2.gz YNUNFQHFTBSHQV-YFKTTZPYSA-N 2 1 298.387 -0.296 20 0 CBADMP C[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000852898327 583572075 /nfs/dbraw/zinc/57/20/75/583572075.db2.gz YNUNFQHFTBSHQV-YFKTTZPYSA-N 2 1 298.387 -0.296 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000857109748 583665199 /nfs/dbraw/zinc/66/51/99/583665199.db2.gz NJYXUWRWIUABEF-RYUDHWBXSA-N 2 1 272.393 -0.130 20 0 CBADMP CCN(CC[NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861572680 583771115 /nfs/dbraw/zinc/77/11/15/583771115.db2.gz WOSYGROAOWBZCK-NEPJUHHUSA-N 2 1 270.377 -0.160 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861574833 583771286 /nfs/dbraw/zinc/77/12/86/583771286.db2.gz ZAXZNNXLVFMLGE-UMSGYPCISA-N 2 1 282.388 -0.101 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861573128 583771304 /nfs/dbraw/zinc/77/13/04/583771304.db2.gz BENFFTURIZGBHI-SRVKXCTJSA-N 2 1 270.377 -0.162 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861592907 583771911 /nfs/dbraw/zinc/77/19/11/583771911.db2.gz WLSOPSXNIMZCDB-LLVKDONJSA-N 2 1 260.382 -0.057 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000861753204 583784198 /nfs/dbraw/zinc/78/41/98/583784198.db2.gz VEGTXKJRNMVEOT-GARJFASQSA-N 2 1 282.388 -0.467 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861752669 583784263 /nfs/dbraw/zinc/78/42/63/583784263.db2.gz IOKFALXQMRPRGU-SECBINFHSA-N 2 1 267.333 -0.887 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000861767048 583785347 /nfs/dbraw/zinc/78/53/47/583785347.db2.gz MPQYIBFLBXJJQX-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861779782 583786105 /nfs/dbraw/zinc/78/61/05/583786105.db2.gz CVHZGTKIZMSQSW-LBPRGKRZSA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000863750304 583852406 /nfs/dbraw/zinc/85/24/06/583852406.db2.gz LYIWVEWCSJYQKN-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863773785 583855986 /nfs/dbraw/zinc/85/59/86/583855986.db2.gz HTCUAVPKAKAMTG-NSHDSACASA-N 2 1 270.377 -0.655 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)CC[N@@H+]1C ZINC000864672758 583886389 /nfs/dbraw/zinc/88/63/89/583886389.db2.gz XPDRXZZXRGZTOW-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)CC[N@H+]1C ZINC000864672758 583886391 /nfs/dbraw/zinc/88/63/91/583886391.db2.gz XPDRXZZXRGZTOW-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)(O)C[N@@H+]1CC[C@H](Nc2cc[nH+]cc2C(N)=O)C1 ZINC000865998382 583914226 /nfs/dbraw/zinc/91/42/26/583914226.db2.gz FGTCXBXDINUZQQ-JTQLQIEISA-N 2 1 278.356 -0.141 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](Nc2cc[nH+]cc2C(N)=O)C1 ZINC000865998382 583914227 /nfs/dbraw/zinc/91/42/27/583914227.db2.gz FGTCXBXDINUZQQ-JTQLQIEISA-N 2 1 278.356 -0.141 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)/C=C/CN1CCOCC1 ZINC000866074856 583915542 /nfs/dbraw/zinc/91/55/42/583915542.db2.gz HOLMGVUSAZHFIS-HWKANZROSA-N 2 1 299.415 -0.041 20 0 CBADMP CNC(=O)NC[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000866685171 583926991 /nfs/dbraw/zinc/92/69/91/583926991.db2.gz CPPQMKZKSREFFB-LLVKDONJSA-N 2 1 258.366 -0.255 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000866709154 583928008 /nfs/dbraw/zinc/92/80/08/583928008.db2.gz QNOATRIRAPONGB-ZOBORPQBSA-N 3 1 294.399 -0.147 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000866709154 583928009 /nfs/dbraw/zinc/92/80/09/583928009.db2.gz QNOATRIRAPONGB-ZOBORPQBSA-N 3 1 294.399 -0.147 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000866711471 583928011 /nfs/dbraw/zinc/92/80/11/583928011.db2.gz LIUCQOIXWBJLGE-ZOBORPQBSA-N 3 1 294.399 -0.147 20 0 CBADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709514 583928125 /nfs/dbraw/zinc/92/81/25/583928125.db2.gz RQHVJOBRGHILPU-UTUOFQBUSA-N 2 1 296.371 -0.622 20 0 CBADMP CC(C)NC(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709514 583928126 /nfs/dbraw/zinc/92/81/26/583928126.db2.gz RQHVJOBRGHILPU-UTUOFQBUSA-N 2 1 296.371 -0.622 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000866770079 583932081 /nfs/dbraw/zinc/93/20/81/583932081.db2.gz UEPMQCVDIARVDE-VIFPVBQESA-N 2 1 285.360 -0.145 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868395137 583977399 /nfs/dbraw/zinc/97/73/99/583977399.db2.gz HBDOOLURMLLEIX-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CCC1(C)C ZINC000868404785 583977814 /nfs/dbraw/zinc/97/78/14/583977814.db2.gz GHVXKDPEXALZQC-LLVKDONJSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](O)c1c[nH]cn1 ZINC000869236588 583995992 /nfs/dbraw/zinc/99/59/92/583995992.db2.gz CTIKXVYICWCGDW-WCQYABFASA-N 2 1 297.403 -0.169 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](O)c1c[nH]cn1 ZINC000869236588 583995993 /nfs/dbraw/zinc/99/59/93/583995993.db2.gz CTIKXVYICWCGDW-WCQYABFASA-N 2 1 297.403 -0.169 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000869780620 584004417 /nfs/dbraw/zinc/00/44/17/584004417.db2.gz MQPFFHCYPRERCY-QWHCGFSZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000869780620 584004420 /nfs/dbraw/zinc/00/44/20/584004420.db2.gz MQPFFHCYPRERCY-QWHCGFSZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000869780620 584004422 /nfs/dbraw/zinc/00/44/22/584004422.db2.gz MQPFFHCYPRERCY-QWHCGFSZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000869780620 584004424 /nfs/dbraw/zinc/00/44/24/584004424.db2.gz MQPFFHCYPRERCY-QWHCGFSZSA-N 2 1 299.415 -0.332 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870983869 584024406 /nfs/dbraw/zinc/02/44/06/584024406.db2.gz YWMUKAXCIQTAEZ-OUAUKWLOSA-N 2 1 269.345 -0.571 20 0 CBADMP COCCN(C)C(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000871604111 584043408 /nfs/dbraw/zinc/04/34/08/584043408.db2.gz TYLURUQGOMXNEC-ZDUSSCGKSA-N 2 1 285.436 -0.028 20 0 CBADMP CC(C)(O)C[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000872198897 584049658 /nfs/dbraw/zinc/04/96/58/584049658.db2.gz BVSFSZGJRMOGHF-RWMBFGLXSA-N 2 1 272.389 -0.039 20 0 CBADMP CC(C)(O)C[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000872198897 584049659 /nfs/dbraw/zinc/04/96/59/584049659.db2.gz BVSFSZGJRMOGHF-RWMBFGLXSA-N 2 1 272.389 -0.039 20 0 CBADMP CC(C)(O)C[C@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000872213352 584050578 /nfs/dbraw/zinc/05/05/78/584050578.db2.gz LGFGKWIOHDBRJE-ZDUSSCGKSA-N 2 1 274.405 -0.055 20 0 CBADMP C[C@H](O)[C@@H](O)CNC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000872225380 584051221 /nfs/dbraw/zinc/05/12/21/584051221.db2.gz JGJXZXPJOWIDJH-QEJZJMRPSA-N 2 1 282.384 -0.189 20 0 CBADMP COC(=O)C1CC([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000872228085 584051369 /nfs/dbraw/zinc/05/13/69/584051369.db2.gz WMVGVAYVTVYOMO-MCIGGMRASA-N 2 1 256.346 -0.016 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@]12COC(=O)N1CCOC2)C1CC1 ZINC000872229439 584051676 /nfs/dbraw/zinc/05/16/76/584051676.db2.gz QTZITQJNXDXPLP-OCCSQVGLSA-N 2 1 299.371 -0.748 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@]12COC(=O)N1CCOC2)C1CC1 ZINC000872229439 584051677 /nfs/dbraw/zinc/05/16/77/584051677.db2.gz QTZITQJNXDXPLP-OCCSQVGLSA-N 2 1 299.371 -0.748 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)CS(N)(=O)=O)C1CC1 ZINC000872234240 584052111 /nfs/dbraw/zinc/05/21/11/584052111.db2.gz MOTCASNTZMAYEF-LLVKDONJSA-N 2 1 293.433 -0.654 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)CS(N)(=O)=O)C1CC1 ZINC000872234240 584052113 /nfs/dbraw/zinc/05/21/13/584052113.db2.gz MOTCASNTZMAYEF-LLVKDONJSA-N 2 1 293.433 -0.654 20 0 CBADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000873262647 584069450 /nfs/dbraw/zinc/06/94/50/584069450.db2.gz OBGRJTCANGFLPZ-GHMZBOCLSA-N 2 1 293.433 -0.342 20 0 CBADMP CN1CC[NH+](CCCNC(=O)C[NH+]2CCCC2)CC1 ZINC000873833585 584074378 /nfs/dbraw/zinc/07/43/78/584074378.db2.gz QBXNEQPKLRWUFW-UHFFFAOYSA-N 2 1 268.405 -0.164 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876722405 584140754 /nfs/dbraw/zinc/14/07/54/584140754.db2.gz UDORECPXMIUVFQ-NEPJUHHUSA-N 2 1 296.415 -0.360 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876722406 584140762 /nfs/dbraw/zinc/14/07/62/584140762.db2.gz UDORECPXMIUVFQ-NWDGAFQWSA-N 2 1 296.415 -0.360 20 0 CBADMP COC[C@@]1(C(=O)NCC[N@H+]2CCCC[C@H]2C)C[NH2+]CCO1 ZINC000876722631 584140783 /nfs/dbraw/zinc/14/07/83/584140783.db2.gz AJLXYBULVMRABT-UKRRQHHQSA-N 2 1 299.415 -0.018 20 0 CBADMP COC[C@]1(C(=O)NCC[N@H+]2CCC[C@H](C)C2)C[NH2+]CCO1 ZINC000876723176 584140884 /nfs/dbraw/zinc/14/08/84/584140884.db2.gz ORPMLUUUWVUIDE-ZFWWWQNUSA-N 2 1 299.415 -0.161 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876723624 584140995 /nfs/dbraw/zinc/14/09/95/584140995.db2.gz VTCZNYDSAALUKR-NEPJUHHUSA-N 2 1 256.394 -0.134 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876723140 584141068 /nfs/dbraw/zinc/14/10/68/584141068.db2.gz OEBOXYMGYJGPMN-NSHDSACASA-N 2 1 253.350 -0.413 20 0 CBADMP COC[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[NH2+]CCO1 ZINC000876729552 584141308 /nfs/dbraw/zinc/14/13/08/584141308.db2.gz QOGQBKKKGJVWTF-IPYPFGDCSA-N 2 1 297.399 -0.266 20 0 CBADMP [NH3+]C[C@]1(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCCOC1 ZINC000876743776 584141971 /nfs/dbraw/zinc/14/19/71/584141971.db2.gz IMKIHGQROBSONG-VNHYZAJKSA-N 2 1 297.399 -0.279 20 0 CBADMP C[C@@H](CNC(=O)c1c(C[NH3+])cnn1C)C[NH+]1CCOCC1 ZINC000876747279 584142111 /nfs/dbraw/zinc/14/21/11/584142111.db2.gz ZSLDNQLILIIWJZ-NSHDSACASA-N 2 1 295.387 -0.423 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@]1(COC)C[NH2+]CCO1)C(C)C ZINC000876750051 584142250 /nfs/dbraw/zinc/14/22/50/584142250.db2.gz SLSPOBDYKPMBNM-AWEZNQCLSA-N 2 1 287.404 -0.162 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876754149 584142872 /nfs/dbraw/zinc/14/28/72/584142872.db2.gz CBDRGYSGLBQMBL-GRYCIOLGSA-N 2 1 273.352 -0.229 20 0 CBADMP COC[C@]1(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[NH2+]CCO1 ZINC000876772851 584143819 /nfs/dbraw/zinc/14/38/19/584143819.db2.gz SMCNNMQYGIUJML-GUTXKFCHSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@]1(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C[NH2+]CCO1 ZINC000876783358 584144180 /nfs/dbraw/zinc/14/41/80/584144180.db2.gz ZXXZEFLWXCXCRU-LNSITVRQSA-N 2 1 297.399 -0.410 20 0 CBADMP COC[C@]1(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C[NH2+]CCO1 ZINC000876783357 584144210 /nfs/dbraw/zinc/14/42/10/584144210.db2.gz ZXXZEFLWXCXCRU-KYOSRNDESA-N 2 1 297.399 -0.410 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876784050 584144651 /nfs/dbraw/zinc/14/46/51/584144651.db2.gz VPACREMOVNBGPB-IJLUTSLNSA-N 2 1 268.405 -0.278 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000876838222 584148456 /nfs/dbraw/zinc/14/84/56/584148456.db2.gz KBPFWCSUDRQVIE-STQMWFEESA-N 2 1 277.372 -0.557 20 0 CBADMP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000876854881 584150169 /nfs/dbraw/zinc/15/01/69/584150169.db2.gz XHAXLDHYZBQLBY-XHNCKOQMSA-N 2 1 265.279 -0.001 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000876884678 584153048 /nfs/dbraw/zinc/15/30/48/584153048.db2.gz RONNFFCTRZKIAH-WOPDTQHZSA-N 2 1 256.394 -0.326 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000876885254 584153155 /nfs/dbraw/zinc/15/31/55/584153155.db2.gz KNAFNLSOYJOJIO-AVGNSLFASA-N 2 1 268.405 -0.182 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC[C@@H]21 ZINC000877251114 584172946 /nfs/dbraw/zinc/17/29/46/584172946.db2.gz YOSYHDGZOOWJQG-FIQHERPVSA-N 2 1 253.346 -0.345 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC2(CCOC)CC[NH2+]CC2)C1 ZINC000877268178 584174084 /nfs/dbraw/zinc/17/40/84/584174084.db2.gz TUQKSTCMNBBGFK-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC2(CCOC)CC[NH2+]CC2)C1 ZINC000877268178 584174087 /nfs/dbraw/zinc/17/40/87/584174087.db2.gz TUQKSTCMNBBGFK-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CSC[NH2+]1 ZINC000877331927 584178803 /nfs/dbraw/zinc/17/88/03/584178803.db2.gz SUIVFRTXVXYHTF-MNOVXSKESA-N 2 1 285.413 -0.076 20 0 CBADMP COC[C@]1(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)C[NH2+]CCO1 ZINC000877451450 584182211 /nfs/dbraw/zinc/18/22/11/584182211.db2.gz MLQXUMHYSUDQCY-GUTXKFCHSA-N 2 1 297.399 -0.314 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000877451592 584182244 /nfs/dbraw/zinc/18/22/44/584182244.db2.gz RTMCRSAWKQRAKN-SDDRHHMPSA-N 2 1 283.372 -0.038 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877450821 584182289 /nfs/dbraw/zinc/18/22/89/584182289.db2.gz GDUALWWLFOFSFZ-JLNYLFASSA-N 2 1 279.384 -0.083 20 0 CBADMP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878052600 584191544 /nfs/dbraw/zinc/19/15/44/584191544.db2.gz NKJWXTZPJVOJCY-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000878084264 584192269 /nfs/dbraw/zinc/19/22/69/584192269.db2.gz QCSXXDOVEZFUGS-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000878084264 584192272 /nfs/dbraw/zinc/19/22/72/584192272.db2.gz QCSXXDOVEZFUGS-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@]1(CO)CCOC1 ZINC000878397992 584202025 /nfs/dbraw/zinc/20/20/25/584202025.db2.gz XMENDAGRSYMOET-CQSZACIVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@]1(CO)CCOC1 ZINC000878397992 584202026 /nfs/dbraw/zinc/20/20/26/584202026.db2.gz XMENDAGRSYMOET-CQSZACIVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@H](CO)[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H](C)O ZINC000878486857 584205204 /nfs/dbraw/zinc/20/52/04/584205204.db2.gz ISNZMIKXXBVVDQ-NEPJUHHUSA-N 2 1 287.404 -0.740 20 0 CBADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)CC1(CO)CC1 ZINC000878482371 584205379 /nfs/dbraw/zinc/20/53/79/584205379.db2.gz PKURHURQNNIAQV-UHFFFAOYSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@@H+](CCCCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000878495904 584205958 /nfs/dbraw/zinc/20/59/58/584205958.db2.gz XCZOXRRSPPWDLU-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)C(C)(C)C2)CC1 ZINC000878532633 584206999 /nfs/dbraw/zinc/20/69/99/584206999.db2.gz UYHHHAXMWRUTFK-LBPRGKRZSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000878543558 584207544 /nfs/dbraw/zinc/20/75/44/584207544.db2.gz GALTXAPYOYIFKD-CQSZACIVSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1C[C@H](O)C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878691076 584213974 /nfs/dbraw/zinc/21/39/74/584213974.db2.gz JXXKDPDXWVDZCT-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP CON(C)C(=O)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865583 584219303 /nfs/dbraw/zinc/21/93/03/584219303.db2.gz KYMMIFWTLLTSAR-ZDUSSCGKSA-N 2 1 273.377 -0.215 20 0 CBADMP CON(C)C(=O)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865583 584219305 /nfs/dbraw/zinc/21/93/05/584219305.db2.gz KYMMIFWTLLTSAR-ZDUSSCGKSA-N 2 1 273.377 -0.215 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000879068019 584225930 /nfs/dbraw/zinc/22/59/30/584225930.db2.gz ZTZRUXQLKHFOER-ZYHUDNBSSA-N 2 1 281.356 -0.698 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000879068019 584225932 /nfs/dbraw/zinc/22/59/32/584225932.db2.gz ZTZRUXQLKHFOER-ZYHUDNBSSA-N 2 1 281.356 -0.698 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000879354977 584232962 /nfs/dbraw/zinc/23/29/62/584232962.db2.gz UHYICPWIRYKVRA-CQSZACIVSA-N 2 1 298.431 -0.851 20 0 CBADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)NC(N)=O)CC[C@H]21 ZINC000879568778 584240701 /nfs/dbraw/zinc/24/07/01/584240701.db2.gz CZURLEUTUFJWSX-VHSXEESVSA-N 2 1 254.334 -0.403 20 0 CBADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)NC(N)=O)CC[C@H]21 ZINC000879568778 584240703 /nfs/dbraw/zinc/24/07/03/584240703.db2.gz CZURLEUTUFJWSX-VHSXEESVSA-N 2 1 254.334 -0.403 20 0 CBADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)NC(N)=O)CC[C@H]21 ZINC000879568778 584240704 /nfs/dbraw/zinc/24/07/04/584240704.db2.gz CZURLEUTUFJWSX-VHSXEESVSA-N 2 1 254.334 -0.403 20 0 CBADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)NC(N)=O)CC[C@H]21 ZINC000879568778 584240706 /nfs/dbraw/zinc/24/07/06/584240706.db2.gz CZURLEUTUFJWSX-VHSXEESVSA-N 2 1 254.334 -0.403 20 0 CBADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879568779 584240788 /nfs/dbraw/zinc/24/07/88/584240788.db2.gz CZURLEUTUFJWSX-ZJUUUORDSA-N 2 1 254.334 -0.403 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879568779 584240790 /nfs/dbraw/zinc/24/07/90/584240790.db2.gz CZURLEUTUFJWSX-ZJUUUORDSA-N 2 1 254.334 -0.403 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879568779 584240791 /nfs/dbraw/zinc/24/07/91/584240791.db2.gz CZURLEUTUFJWSX-ZJUUUORDSA-N 2 1 254.334 -0.403 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879568779 584240793 /nfs/dbraw/zinc/24/07/93/584240793.db2.gz CZURLEUTUFJWSX-ZJUUUORDSA-N 2 1 254.334 -0.403 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580327 584241706 /nfs/dbraw/zinc/24/17/06/584241706.db2.gz SNQXOZQYBLCZPE-KKUMJFAQSA-N 2 1 285.432 -0.049 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580327 584241707 /nfs/dbraw/zinc/24/17/07/584241707.db2.gz SNQXOZQYBLCZPE-KKUMJFAQSA-N 2 1 285.432 -0.049 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580327 584241708 /nfs/dbraw/zinc/24/17/08/584241708.db2.gz SNQXOZQYBLCZPE-KKUMJFAQSA-N 2 1 285.432 -0.049 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579416 584241849 /nfs/dbraw/zinc/24/18/49/584241849.db2.gz LGLYXSZHWVMLQH-MNOVXSKESA-N 2 1 250.350 -0.221 20 0 CBADMP Cn1nnnc1CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579416 584241851 /nfs/dbraw/zinc/24/18/51/584241851.db2.gz LGLYXSZHWVMLQH-MNOVXSKESA-N 2 1 250.350 -0.221 20 0 CBADMP Cn1nnnc1CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579416 584241852 /nfs/dbraw/zinc/24/18/52/584241852.db2.gz LGLYXSZHWVMLQH-MNOVXSKESA-N 2 1 250.350 -0.221 20 0 CBADMP Cn1nnnc1CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579416 584241855 /nfs/dbraw/zinc/24/18/55/584241855.db2.gz LGLYXSZHWVMLQH-MNOVXSKESA-N 2 1 250.350 -0.221 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000879998619 584259382 /nfs/dbraw/zinc/25/93/82/584259382.db2.gz WQBVNCFQACJXJZ-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000879998619 584259383 /nfs/dbraw/zinc/25/93/83/584259383.db2.gz WQBVNCFQACJXJZ-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC000880072648 584261034 /nfs/dbraw/zinc/26/10/34/584261034.db2.gz GAIIZVWWLLXNKQ-BFHYXJOUSA-N 2 1 271.405 -0.560 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880072648 584261035 /nfs/dbraw/zinc/26/10/35/584261035.db2.gz GAIIZVWWLLXNKQ-BFHYXJOUSA-N 2 1 271.405 -0.560 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880072648 584261037 /nfs/dbraw/zinc/26/10/37/584261037.db2.gz GAIIZVWWLLXNKQ-BFHYXJOUSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@@H]1CC[C@H](CO)[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000880439654 584274315 /nfs/dbraw/zinc/27/43/15/584274315.db2.gz HDAWHORWSQAKTI-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CC[C@H](CO)[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000880439654 584274317 /nfs/dbraw/zinc/27/43/17/584274317.db2.gz HDAWHORWSQAKTI-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+](C)CCOC ZINC000883298790 584339398 /nfs/dbraw/zinc/33/93/98/584339398.db2.gz CDYVFMJAMAEBCI-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000883385213 584340924 /nfs/dbraw/zinc/34/09/24/584340924.db2.gz HKVGQAHLHJASKJ-STQMWFEESA-N 2 1 283.420 -0.374 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000883385213 584340926 /nfs/dbraw/zinc/34/09/26/584340926.db2.gz HKVGQAHLHJASKJ-STQMWFEESA-N 2 1 283.420 -0.374 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000883385213 584340928 /nfs/dbraw/zinc/34/09/28/584340928.db2.gz HKVGQAHLHJASKJ-STQMWFEESA-N 2 1 283.420 -0.374 20 0 CBADMP c1nnnn1CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000883429378 584342008 /nfs/dbraw/zinc/34/20/08/584342008.db2.gz TVISYXPPQNLZCJ-NEPJUHHUSA-N 2 1 250.350 -0.005 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCn3cnnn3)C2)C1 ZINC000883434724 584342343 /nfs/dbraw/zinc/34/23/43/584342343.db2.gz ZMFCTHUOAMFCOY-JHJVBQTASA-N 2 1 280.376 -0.109 20 0 CBADMP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)CCO1 ZINC000883442954 584342976 /nfs/dbraw/zinc/34/29/76/584342976.db2.gz WQCFVKQIYVBCIZ-GMTAPVOTSA-N 2 1 255.362 -0.051 20 0 CBADMP O=C(CC[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21)N1CC[NH2+]CC1 ZINC000883462221 584343160 /nfs/dbraw/zinc/34/31/60/584343160.db2.gz MILOLRGFBQZWEU-TZMCWYRMSA-N 2 1 294.399 -0.591 20 0 CBADMP O=C(CC[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21)N1CC[NH2+]CC1 ZINC000883462218 584343235 /nfs/dbraw/zinc/34/32/35/584343235.db2.gz MILOLRGFBQZWEU-GXTWGEPZSA-N 2 1 294.399 -0.591 20 0 CBADMP COCC[N@H+](C)CCCNC(=O)c1ncoc1C[NH3+] ZINC000884192753 584365022 /nfs/dbraw/zinc/36/50/22/584365022.db2.gz NNXHIGKFYFUNQW-UHFFFAOYSA-N 2 1 270.333 -0.169 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)c1ncoc1C[NH3+] ZINC000884192753 584365023 /nfs/dbraw/zinc/36/50/23/584365023.db2.gz NNXHIGKFYFUNQW-UHFFFAOYSA-N 2 1 270.333 -0.169 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884213780 584367600 /nfs/dbraw/zinc/36/76/00/584367600.db2.gz KYMQEHSBEPGVRM-RYUDHWBXSA-N 2 1 255.362 -0.049 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884213779 584367855 /nfs/dbraw/zinc/36/78/55/584367855.db2.gz KYMQEHSBEPGVRM-NWDGAFQWSA-N 2 1 255.362 -0.049 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000884224911 584368557 /nfs/dbraw/zinc/36/85/57/584368557.db2.gz CGWJTEWWZPJDGE-ZDUSSCGKSA-N 2 1 287.404 -0.081 20 0 CBADMP C[NH+]1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884240963 584369421 /nfs/dbraw/zinc/36/94/21/584369421.db2.gz KHVOBZMIXFUTIF-UHFFFAOYSA-N 2 1 289.383 -0.121 20 0 CBADMP [NH3+][C@@H](CC1CC1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000884252294 584370483 /nfs/dbraw/zinc/37/04/83/584370483.db2.gz GMENPGQVWXHANF-STQMWFEESA-N 2 1 294.399 -0.463 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000884290385 584372449 /nfs/dbraw/zinc/37/24/49/584372449.db2.gz ZKARTHPMPAVKMQ-YUMQZZPRSA-N 2 1 251.277 -0.584 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000884358193 584376116 /nfs/dbraw/zinc/37/61/16/584376116.db2.gz MEHBJATUVKTVAY-GARJFASQSA-N 2 1 255.362 -0.051 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000884358193 584376118 /nfs/dbraw/zinc/37/61/18/584376118.db2.gz MEHBJATUVKTVAY-GARJFASQSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@H](C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C)N1CC[NH+](C)CC1 ZINC000884360385 584376451 /nfs/dbraw/zinc/37/64/51/584376451.db2.gz ZHQNGDLUKWETQG-IJLUTSLNSA-N 2 1 268.405 -0.136 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884508506 584385779 /nfs/dbraw/zinc/38/57/79/584385779.db2.gz GTVCNCAIOURJCP-CMPLNLGQSA-N 2 1 293.371 -0.354 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884545555 584387260 /nfs/dbraw/zinc/38/72/60/584387260.db2.gz LJLQRXDLVNDGNZ-MWLCHTKSSA-N 2 1 279.344 -0.744 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884545250 584387269 /nfs/dbraw/zinc/38/72/69/584387269.db2.gz BWZXWPFMGYSGTH-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884546015 584387291 /nfs/dbraw/zinc/38/72/91/584387291.db2.gz YZCZHNLMINXHBU-ZYHUDNBSSA-N 2 1 293.371 -0.639 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884545488 584387300 /nfs/dbraw/zinc/38/73/00/584387300.db2.gz JCPORPKGBJSIPH-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884554373 584387812 /nfs/dbraw/zinc/38/78/12/584387812.db2.gz RYJLYVWCCRENMC-UZWSLXQKSA-N 2 1 294.399 -0.467 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[N@H+]1C1CC1 ZINC000884553968 584387879 /nfs/dbraw/zinc/38/78/79/584387879.db2.gz KWAAOBOMLXGWPR-BLFANLJRSA-N 2 1 292.383 -0.700 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884576641 584388777 /nfs/dbraw/zinc/38/87/77/584388777.db2.gz MKZPWZXJJISLSS-AVGNSLFASA-N 2 1 294.399 -0.593 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000884601612 584389753 /nfs/dbraw/zinc/38/97/53/584389753.db2.gz QLSYFGWKBBEAEF-TXEJJXNPSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000884623725 584391353 /nfs/dbraw/zinc/39/13/53/584391353.db2.gz MPSYAHJJNMSTPV-GMXVVIOVSA-N 2 1 294.399 -0.299 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884626197 584391655 /nfs/dbraw/zinc/39/16/55/584391655.db2.gz DFZVXOCAHGITHX-VOAKCMCISA-N 2 1 292.383 -0.698 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884626891 584391691 /nfs/dbraw/zinc/39/16/91/584391691.db2.gz YNKLDJFLNVMEBF-RWMBFGLXSA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000884631558 584392199 /nfs/dbraw/zinc/39/21/99/584392199.db2.gz OFOGQMHFXNIJRJ-KGYLQXTDSA-N 2 1 294.399 -0.465 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884669806 584393684 /nfs/dbraw/zinc/39/36/84/584393684.db2.gz HMPKVGKZKOUYMF-RVMXOQNASA-N 2 1 292.383 -0.698 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCCC[NH3+])CCC1(C)C ZINC000884673374 584394229 /nfs/dbraw/zinc/39/42/29/584394229.db2.gz VKUQMNMWLXONTN-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCC1(C)C ZINC000884673817 584394512 /nfs/dbraw/zinc/39/45/12/584394512.db2.gz GUTGIVKNSJKALU-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1(C)C ZINC000884674912 584394676 /nfs/dbraw/zinc/39/46/76/584394676.db2.gz LXEOOKVGPDIIDR-UHFFFAOYSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1(C)C ZINC000884674912 584394677 /nfs/dbraw/zinc/39/46/77/584394677.db2.gz LXEOOKVGPDIIDR-UHFFFAOYSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884675906 584394962 /nfs/dbraw/zinc/39/49/62/584394962.db2.gz UUFYRBNNSDYYGT-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC[C@H]21 ZINC000884678755 584395447 /nfs/dbraw/zinc/39/54/47/584395447.db2.gz LSWZRDMAHKWYQD-JHJVBQTASA-N 2 1 294.399 -0.608 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1(C)C ZINC000884679003 584395551 /nfs/dbraw/zinc/39/55/51/584395551.db2.gz RVLCIBYKKRYDIO-LLVKDONJSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1(C)C ZINC000884679003 584395553 /nfs/dbraw/zinc/39/55/53/584395553.db2.gz RVLCIBYKKRYDIO-LLVKDONJSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884684778 584395949 /nfs/dbraw/zinc/39/59/49/584395949.db2.gz PIFSZRLJVUXVOL-AXFHLTTASA-N 2 1 268.361 -0.998 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884687662 584396608 /nfs/dbraw/zinc/39/66/08/584396608.db2.gz DHKYVGDPTSKUJT-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC[C@H]21 ZINC000884687945 584396639 /nfs/dbraw/zinc/39/66/39/584396639.db2.gz NWEJECDKXDLMAR-FRRDWIJNSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884697982 584398373 /nfs/dbraw/zinc/39/83/73/584398373.db2.gz HWACFZFNNQXQHB-WOPDTQHZSA-N 2 1 282.388 -0.750 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884701587 584398598 /nfs/dbraw/zinc/39/85/98/584398598.db2.gz KZMMLFYKIGGDOZ-JHJVBQTASA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884705318 584399670 /nfs/dbraw/zinc/39/96/70/584399670.db2.gz PFJVQKYSFISWNM-DCAQKATOSA-N 2 1 268.361 -0.998 20 0 CBADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884729662 584401289 /nfs/dbraw/zinc/40/12/89/584401289.db2.gz SSPYNLUMSOPGQS-MNOVXSKESA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884729662 584401292 /nfs/dbraw/zinc/40/12/92/584401292.db2.gz SSPYNLUMSOPGQS-MNOVXSKESA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884739269 584401561 /nfs/dbraw/zinc/40/15/61/584401561.db2.gz IMKBZYXRGKHUEF-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885196306 584409680 /nfs/dbraw/zinc/40/96/80/584409680.db2.gz AXNVLTCFRYDMID-UHFFFAOYSA-N 2 1 284.404 -0.217 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CC[C@H]([N@H+](C)CC(=O)NC)CC1 ZINC000886389341 584438725 /nfs/dbraw/zinc/43/87/25/584438725.db2.gz FSEZAOOPGAQHAX-HAQNSBGRSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000886968577 584452508 /nfs/dbraw/zinc/45/25/08/584452508.db2.gz IWXXXFYHGBLTMC-ZETCQYMHSA-N 2 1 272.271 -0.901 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000886965198 584452640 /nfs/dbraw/zinc/45/26/40/584452640.db2.gz SAQWIRHIOFQTCG-UHFFFAOYSA-N 2 1 293.371 -0.227 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000886967332 584452657 /nfs/dbraw/zinc/45/26/57/584452657.db2.gz XSYFRIIAQZTWFE-QMMMGPOBSA-N 2 1 286.298 -0.511 20 0 CBADMP CC[C@H](C)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(N)=O ZINC000887057610 584459262 /nfs/dbraw/zinc/45/92/62/584459262.db2.gz ODVFCDMXRQCMMZ-AAEUAGOBSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000887087979 584463037 /nfs/dbraw/zinc/46/30/37/584463037.db2.gz GQIGUDFCOOTZRA-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000889754859 584535616 /nfs/dbraw/zinc/53/56/16/584535616.db2.gz GQKSZMVKNXMDJU-BFHYXJOUSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000889754859 584535618 /nfs/dbraw/zinc/53/56/18/584535618.db2.gz GQKSZMVKNXMDJU-BFHYXJOUSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000889754859 584535620 /nfs/dbraw/zinc/53/56/20/584535620.db2.gz GQKSZMVKNXMDJU-BFHYXJOUSA-N 2 1 281.400 -0.004 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000890059460 584540106 /nfs/dbraw/zinc/54/01/06/584540106.db2.gz IBQZWXRALFDVIM-CHWSQXEVSA-N 2 1 284.404 -0.211 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000890059460 584540108 /nfs/dbraw/zinc/54/01/08/584540108.db2.gz IBQZWXRALFDVIM-CHWSQXEVSA-N 2 1 284.404 -0.211 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000890059460 584540111 /nfs/dbraw/zinc/54/01/11/584540111.db2.gz IBQZWXRALFDVIM-CHWSQXEVSA-N 2 1 284.404 -0.211 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000890059460 584540114 /nfs/dbraw/zinc/54/01/14/584540114.db2.gz IBQZWXRALFDVIM-CHWSQXEVSA-N 2 1 284.404 -0.211 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000890070399 584541194 /nfs/dbraw/zinc/54/11/94/584541194.db2.gz YBYGDVUPRIWDIU-GFCCVEGCSA-N 2 1 284.404 -0.164 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000891514652 584583505 /nfs/dbraw/zinc/58/35/05/584583505.db2.gz WDVKOUHNKADCON-JHJVBQTASA-N 2 1 282.388 -0.018 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891514441 584583663 /nfs/dbraw/zinc/58/36/63/584583663.db2.gz RPIGAMCKRASOHN-RQJABVFESA-N 2 1 294.399 -0.005 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCC(C)(C)[NH3+] ZINC000891540796 584584752 /nfs/dbraw/zinc/58/47/52/584584752.db2.gz XQTHAMUPOGBXEG-NSHDSACASA-N 2 1 271.409 -0.341 20 0 CBADMP C[C@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)CN1CC[NH+](C)CC1 ZINC000891604060 584587812 /nfs/dbraw/zinc/58/78/12/584587812.db2.gz VPOQODCVCPGIIV-RDBSUJKOSA-N 2 1 295.431 -0.374 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)n1C ZINC000891653626 584589343 /nfs/dbraw/zinc/58/93/43/584589343.db2.gz GHUHQPYUKDHUMM-UWVGGRQHSA-N 2 1 278.360 -0.258 20 0 CBADMP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000891697446 584590179 /nfs/dbraw/zinc/59/01/79/584590179.db2.gz DCUNQEVRELDASQ-WYUUTHIRSA-N 2 1 270.377 -0.258 20 0 CBADMP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000891697446 584590181 /nfs/dbraw/zinc/59/01/81/584590181.db2.gz DCUNQEVRELDASQ-WYUUTHIRSA-N 2 1 270.377 -0.258 20 0 CBADMP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000892063165 584602842 /nfs/dbraw/zinc/60/28/42/584602842.db2.gz XQBXHNPIZRFOKG-VIFPVBQESA-N 2 1 294.346 -0.275 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000892063165 584602843 /nfs/dbraw/zinc/60/28/43/584602843.db2.gz XQBXHNPIZRFOKG-VIFPVBQESA-N 2 1 294.346 -0.275 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N2C3CCC2(C[NH3+])CC3)C1 ZINC000892464033 584617026 /nfs/dbraw/zinc/61/70/26/584617026.db2.gz ZSPOVWNTEFXLSR-UXUKBGGZSA-N 2 1 282.388 -0.282 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H](C)C1 ZINC000892570536 584619321 /nfs/dbraw/zinc/61/93/21/584619321.db2.gz PWIRSMWGCQYAPT-FDYHWXHSSA-N 2 1 284.404 -0.180 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCCC(C)(C)[NH3+] ZINC000892854965 584628555 /nfs/dbraw/zinc/62/85/55/584628555.db2.gz PWTMPXCFZUDAHU-UHFFFAOYSA-N 2 1 260.382 -0.273 20 0 CBADMP C[NH+](C)CCOCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000894368214 584656742 /nfs/dbraw/zinc/65/67/42/584656742.db2.gz XYAUSQQATHNNHJ-BETUJISGSA-N 2 1 284.404 -0.232 20 0 CBADMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](CC(N)=O)C2)CC1 ZINC000895653103 584683876 /nfs/dbraw/zinc/68/38/76/584683876.db2.gz RMJJTHKUQMUDCA-LBPRGKRZSA-N 2 1 255.362 -0.096 20 0 CBADMP C[N@@H+](CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)C1CC1 ZINC000895873768 584688767 /nfs/dbraw/zinc/68/87/67/584688767.db2.gz KVCWIECYSLXTCV-CYBMUJFWSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895883391 584688909 /nfs/dbraw/zinc/68/89/09/584688909.db2.gz DRSSEIYJNOUVPL-OLZOCXBDSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895883393 584689191 /nfs/dbraw/zinc/68/91/91/584689191.db2.gz DRSSEIYJNOUVPL-QWHCGFSZSA-N 2 1 267.373 -0.083 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896096961 584692125 /nfs/dbraw/zinc/69/21/25/584692125.db2.gz MMIDOKMICKGHRA-CYBMUJFWSA-N 2 1 285.388 -0.599 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896096927 584692199 /nfs/dbraw/zinc/69/21/99/584692199.db2.gz LAJUCNZRFXPJML-UHFFFAOYSA-N 2 1 299.415 -0.208 20 0 CBADMP C[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896537445 584701492 /nfs/dbraw/zinc/70/14/92/584701492.db2.gz YWJCKPBIDFYJAG-NEPJUHHUSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000897446648 584716732 /nfs/dbraw/zinc/71/67/32/584716732.db2.gz XKQWRCQWCSQIFF-JSGCOSHPSA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@H]1CC[NH+](CCNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000897446648 584716733 /nfs/dbraw/zinc/71/67/33/584716733.db2.gz XKQWRCQWCSQIFF-JSGCOSHPSA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@H]1CC[NH+](CCNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000897446648 584716735 /nfs/dbraw/zinc/71/67/35/584716735.db2.gz XKQWRCQWCSQIFF-JSGCOSHPSA-N 2 1 284.404 -0.306 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCC[NH+]1CC[C@@H](C)C1 ZINC000897448560 584716808 /nfs/dbraw/zinc/71/68/08/584716808.db2.gz XFKYIGVQPRCMMJ-CYBMUJFWSA-N 2 1 286.420 -0.058 20 0 CBADMP CC[NH+](CCO)CCNC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000897448560 584716809 /nfs/dbraw/zinc/71/68/09/584716809.db2.gz XFKYIGVQPRCMMJ-CYBMUJFWSA-N 2 1 286.420 -0.058 20 0 CBADMP CC[NH+](CCO)CCNC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000897448560 584716811 /nfs/dbraw/zinc/71/68/11/584716811.db2.gz XFKYIGVQPRCMMJ-CYBMUJFWSA-N 2 1 286.420 -0.058 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000897469297 584717516 /nfs/dbraw/zinc/71/75/16/584717516.db2.gz HULKKQUEWUFJSH-STQMWFEESA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@H]1CC[NH+](CCNC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000897469297 584717518 /nfs/dbraw/zinc/71/75/18/584717518.db2.gz HULKKQUEWUFJSH-STQMWFEESA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@H]1CC[NH+](CCNC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000897469297 584717520 /nfs/dbraw/zinc/71/75/20/584717520.db2.gz HULKKQUEWUFJSH-STQMWFEESA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000897495091 584718295 /nfs/dbraw/zinc/71/82/95/584718295.db2.gz SMNDTNYIUGEBTO-JSGCOSHPSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1CCC[NH+]1CCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000897495091 584718296 /nfs/dbraw/zinc/71/82/96/584718296.db2.gz SMNDTNYIUGEBTO-JSGCOSHPSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1CCC[NH+]1CCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000897495091 584718297 /nfs/dbraw/zinc/71/82/97/584718297.db2.gz SMNDTNYIUGEBTO-JSGCOSHPSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+]1CC)C1CC1 ZINC000897631575 584721573 /nfs/dbraw/zinc/72/15/73/584721573.db2.gz AMBUXGVUKIGWCR-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+]1CC)C1CC1 ZINC000897631575 584721575 /nfs/dbraw/zinc/72/15/75/584721575.db2.gz AMBUXGVUKIGWCR-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1CC)C1CC1 ZINC000897631575 584721577 /nfs/dbraw/zinc/72/15/77/584721577.db2.gz AMBUXGVUKIGWCR-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1CC)C1CC1 ZINC000897631575 584721579 /nfs/dbraw/zinc/72/15/79/584721579.db2.gz AMBUXGVUKIGWCR-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000897649258 584721893 /nfs/dbraw/zinc/72/18/93/584721893.db2.gz QBXDCALGFHATHE-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000897649258 584721895 /nfs/dbraw/zinc/72/18/95/584721895.db2.gz QBXDCALGFHATHE-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000897649258 584721897 /nfs/dbraw/zinc/72/18/97/584721897.db2.gz QBXDCALGFHATHE-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000897649258 584721898 /nfs/dbraw/zinc/72/18/98/584721898.db2.gz QBXDCALGFHATHE-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000899737337 584777771 /nfs/dbraw/zinc/77/77/71/584777771.db2.gz HOYKNTGXMDYIFZ-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000899737337 584777773 /nfs/dbraw/zinc/77/77/73/584777773.db2.gz HOYKNTGXMDYIFZ-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](CCO)CCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000899737337 584777774 /nfs/dbraw/zinc/77/77/74/584777774.db2.gz HOYKNTGXMDYIFZ-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP CN(C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)C1CC[NH+](C)CC1 ZINC000899909163 584784108 /nfs/dbraw/zinc/78/41/08/584784108.db2.gz LUQMKUYFDMYPQN-OCCSQVGLSA-N 2 1 269.389 -0.006 20 0 CBADMP C[N@H+]1CCCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000899934350 584785685 /nfs/dbraw/zinc/78/56/85/584785685.db2.gz CPBAMPWYFMVDKE-ZDUSSCGKSA-N 2 1 267.373 -0.129 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900010249 584788858 /nfs/dbraw/zinc/78/88/58/584788858.db2.gz VPGBTXXKBSBLOG-DZGCQCFKSA-N 2 1 298.431 -0.853 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCCC1 ZINC000900010764 584788943 /nfs/dbraw/zinc/78/89/43/584788943.db2.gz BWPAECDJTJACAR-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCCC1 ZINC000900010764 584788945 /nfs/dbraw/zinc/78/89/45/584788945.db2.gz BWPAECDJTJACAR-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C)C1CC1 ZINC000900367882 584800657 /nfs/dbraw/zinc/80/06/57/584800657.db2.gz XPIFSPCPLQDFSU-DGCLKSJQSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+](CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)C1CC1 ZINC000900367882 584800659 /nfs/dbraw/zinc/80/06/59/584800659.db2.gz XPIFSPCPLQDFSU-DGCLKSJQSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+](CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)C1CC1 ZINC000900367882 584800661 /nfs/dbraw/zinc/80/06/61/584800661.db2.gz XPIFSPCPLQDFSU-DGCLKSJQSA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC1CC[NH+](C)CC1 ZINC000900486081 584807410 /nfs/dbraw/zinc/80/74/10/584807410.db2.gz WVIKYXRTYZVIDW-GXTWGEPZSA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000900516390 584809281 /nfs/dbraw/zinc/80/92/81/584809281.db2.gz BUWRBSFERQMWKF-DGCLKSJQSA-N 2 1 273.377 -0.864 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900516390 584809282 /nfs/dbraw/zinc/80/92/82/584809282.db2.gz BUWRBSFERQMWKF-DGCLKSJQSA-N 2 1 273.377 -0.864 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900516390 584809285 /nfs/dbraw/zinc/80/92/85/584809285.db2.gz BUWRBSFERQMWKF-DGCLKSJQSA-N 2 1 273.377 -0.864 20 0 CBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000900578828 584813345 /nfs/dbraw/zinc/81/33/45/584813345.db2.gz OCJRTMPXHFGQCC-NFAWXSAZSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000900578828 584813347 /nfs/dbraw/zinc/81/33/47/584813347.db2.gz OCJRTMPXHFGQCC-NFAWXSAZSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900578828 584813348 /nfs/dbraw/zinc/81/33/48/584813348.db2.gz OCJRTMPXHFGQCC-NFAWXSAZSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900578828 584813350 /nfs/dbraw/zinc/81/33/50/584813350.db2.gz OCJRTMPXHFGQCC-NFAWXSAZSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900624325 584816841 /nfs/dbraw/zinc/81/68/41/584816841.db2.gz PLDPVAJJFZPOCW-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP CC[N@H+]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000900634114 584817906 /nfs/dbraw/zinc/81/79/06/584817906.db2.gz SCNAYAIYPDCAKL-JSGCOSHPSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[NH+]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900634114 584817908 /nfs/dbraw/zinc/81/79/08/584817908.db2.gz SCNAYAIYPDCAKL-JSGCOSHPSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[NH+]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900634114 584817910 /nfs/dbraw/zinc/81/79/10/584817910.db2.gz SCNAYAIYPDCAKL-JSGCOSHPSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900685770 584821546 /nfs/dbraw/zinc/82/15/46/584821546.db2.gz HNTJDQIALJYZNL-UHFFFAOYSA-N 2 1 294.399 -0.638 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900686613 584821631 /nfs/dbraw/zinc/82/16/31/584821631.db2.gz NOUSHMPGQMUGLI-DZGCQCFKSA-N 2 1 298.431 -0.805 20 0 CBADMP C[NH+](C)CCCCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900691481 584822130 /nfs/dbraw/zinc/82/21/30/584822130.db2.gz YPHLVBZPYXDFBJ-WCQYABFASA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900694387 584822461 /nfs/dbraw/zinc/82/24/61/584822461.db2.gz HVXOBQDBGSBOIX-NQBHXWOUSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000900698533 584822950 /nfs/dbraw/zinc/82/29/50/584822950.db2.gz HJTGFUOHKYGCBJ-DGCLKSJQSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900698533 584822951 /nfs/dbraw/zinc/82/29/51/584822951.db2.gz HJTGFUOHKYGCBJ-DGCLKSJQSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900698533 584822952 /nfs/dbraw/zinc/82/29/52/584822952.db2.gz HJTGFUOHKYGCBJ-DGCLKSJQSA-N 2 1 257.378 -0.102 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CCOCC1 ZINC000900714497 584824160 /nfs/dbraw/zinc/82/41/60/584824160.db2.gz SPEXOMVXWPJIQL-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[C@H]1CCC[N@@H+](C)C1 ZINC000900833385 584829689 /nfs/dbraw/zinc/82/96/89/584829689.db2.gz WBVMLGAYHORAJX-SCRDCRAPSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)[C@H]1CCC[NH+](C)C1 ZINC000900833385 584829691 /nfs/dbraw/zinc/82/96/91/584829691.db2.gz WBVMLGAYHORAJX-SCRDCRAPSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[C@H]1CCC[NH+](C)C1 ZINC000900833385 584829693 /nfs/dbraw/zinc/82/96/93/584829693.db2.gz WBVMLGAYHORAJX-SCRDCRAPSA-N 2 1 269.389 -0.006 20 0 CBADMP COC1CC[NH+](CCNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900980531 584836420 /nfs/dbraw/zinc/83/64/20/584836420.db2.gz MGLDESSHCCRSPB-DOMZBBRYSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC1=CC[NH+](C)CC1 ZINC000901329287 584861251 /nfs/dbraw/zinc/86/12/51/584861251.db2.gz FUZKSHPLWADTLQ-OCCSQVGLSA-N 2 1 267.373 -0.180 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000901329287 584861252 /nfs/dbraw/zinc/86/12/52/584861252.db2.gz FUZKSHPLWADTLQ-OCCSQVGLSA-N 2 1 267.373 -0.180 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000901329287 584861254 /nfs/dbraw/zinc/86/12/54/584861254.db2.gz FUZKSHPLWADTLQ-OCCSQVGLSA-N 2 1 267.373 -0.180 20 0 CBADMP O=C([C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1)N1CCNCC1 ZINC000903420914 584890139 /nfs/dbraw/zinc/89/01/39/584890139.db2.gz GEBQKYXDCJSUEC-UONOGXRCSA-N 3 1 280.416 -0.118 20 0 CBADMP CC(=O)NC[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903438673 584890217 /nfs/dbraw/zinc/89/02/17/584890217.db2.gz YQAJAIBYXFEWBC-AGIUHOORSA-N 2 1 255.362 -0.049 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439978 584890291 /nfs/dbraw/zinc/89/02/91/584890291.db2.gz SAOKCGKSNGFNJJ-GRYCIOLGSA-N 2 1 275.418 -0.145 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439978 584890292 /nfs/dbraw/zinc/89/02/92/584890292.db2.gz SAOKCGKSNGFNJJ-GRYCIOLGSA-N 2 1 275.418 -0.145 20 0 CBADMP CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903436742 584890298 /nfs/dbraw/zinc/89/02/98/584890298.db2.gz BBSSTJPNNAMPBT-WOPDTQHZSA-N 2 1 275.418 -0.145 20 0 CBADMP CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903436742 584890299 /nfs/dbraw/zinc/89/02/99/584890299.db2.gz BBSSTJPNNAMPBT-WOPDTQHZSA-N 2 1 275.418 -0.145 20 0 CBADMP O=C1C[NH2+]CCN1[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903449608 584890447 /nfs/dbraw/zinc/89/04/47/584890447.db2.gz VPTHOZHHZHPSBT-CHWSQXEVSA-N 2 1 266.389 -0.365 20 0 CBADMP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)N3CCNCC3)CC2)C1 ZINC000903464117 584890838 /nfs/dbraw/zinc/89/08/38/584890838.db2.gz AIOKLVSDXXICPV-UONOGXRCSA-N 2 1 295.431 -0.243 20 0 CBADMP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470541 584890929 /nfs/dbraw/zinc/89/09/29/584890929.db2.gz NLFBIFDBEQOFCS-SNVBAGLBSA-N 2 1 261.391 -0.200 20 0 CBADMP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903485237 584891253 /nfs/dbraw/zinc/89/12/53/584891253.db2.gz KUVLUHQNRVTILT-SECBINFHSA-N 2 1 254.334 -0.164 20 0 CBADMP CCCNC(=O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491052 584891582 /nfs/dbraw/zinc/89/15/82/584891582.db2.gz SWEGUEDKGOMINY-WDMOLILDSA-N 2 1 283.372 -0.275 20 0 CBADMP C[NH2+]CCC[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493540 584891841 /nfs/dbraw/zinc/89/18/41/584891841.db2.gz UPKYFHQZSXGFLB-LOWVWBTDSA-N 3 1 255.362 -0.192 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000903569132 584893506 /nfs/dbraw/zinc/89/35/06/584893506.db2.gz DICXVQHOULTTKW-MGCOHNPYSA-N 2 1 261.391 -0.263 20 0 CBADMP O=S1(=O)C[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]2C1 ZINC000903707875 584895198 /nfs/dbraw/zinc/89/51/98/584895198.db2.gz UILMXZBHAQPIEX-TXEJJXNPSA-N 2 1 258.387 -0.038 20 0 CBADMP COCC(COC)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000903713164 584895404 /nfs/dbraw/zinc/89/54/04/584895404.db2.gz GPNQMTZIVPEITH-CYBMUJFWSA-N 2 1 299.415 -0.208 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000903712868 584895415 /nfs/dbraw/zinc/89/54/15/584895415.db2.gz AUAMGEKXEWPWSJ-RWMBFGLXSA-N 2 1 297.399 -0.028 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)Cc1[nH]nc2c1COCC2 ZINC000903717056 584895593 /nfs/dbraw/zinc/89/55/93/584895593.db2.gz YJCMJMZVDFUUHI-UHFFFAOYSA-N 2 1 279.388 -0.181 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1[nH]nc2c1COCC2 ZINC000903717056 584895594 /nfs/dbraw/zinc/89/55/94/584895594.db2.gz YJCMJMZVDFUUHI-UHFFFAOYSA-N 2 1 279.388 -0.181 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903719777 584895756 /nfs/dbraw/zinc/89/57/56/584895756.db2.gz VSGKZHIXSCILCW-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722195 584895778 /nfs/dbraw/zinc/89/57/78/584895778.db2.gz IMHYYABVBOXKKQ-WCQYABFASA-N 2 1 255.362 -0.177 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722195 584895779 /nfs/dbraw/zinc/89/57/79/584895779.db2.gz IMHYYABVBOXKKQ-WCQYABFASA-N 2 1 255.362 -0.177 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722321 584895808 /nfs/dbraw/zinc/89/58/08/584895808.db2.gz KOZOOFVPZUHTKV-OBJOEFQTSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[N@H+](CC(=O)NC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903724994 584896037 /nfs/dbraw/zinc/89/60/37/584896037.db2.gz UGJLDCJEHJDFJU-WCQYABFASA-N 2 1 255.362 -0.177 20 0 CBADMP CN(C)C(=O)[C@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCN1 ZINC000903756338 584897575 /nfs/dbraw/zinc/89/75/75/584897575.db2.gz QHPFVAVTOMHBNL-QWHCGFSZSA-N 2 1 268.405 -0.262 20 0 CBADMP CN(C)C(=O)[C@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCN1 ZINC000903756338 584897576 /nfs/dbraw/zinc/89/75/76/584897576.db2.gz QHPFVAVTOMHBNL-QWHCGFSZSA-N 2 1 268.405 -0.262 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCCO1 ZINC000903760034 584897778 /nfs/dbraw/zinc/89/77/78/584897778.db2.gz FGCDHMMMKQDGSY-MJBXVCDLSA-N 3 1 269.389 -0.195 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCCO1 ZINC000903760034 584897779 /nfs/dbraw/zinc/89/77/79/584897779.db2.gz FGCDHMMMKQDGSY-MJBXVCDLSA-N 3 1 269.389 -0.195 20 0 CBADMP CN1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCC1=O ZINC000903765449 584897948 /nfs/dbraw/zinc/89/79/48/584897948.db2.gz HIPILMLHGNAKBE-JSGCOSHPSA-N 2 1 267.373 -0.081 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903770833 584898367 /nfs/dbraw/zinc/89/83/67/584898367.db2.gz ZDFLBTPQJDSCNK-ZIAGYGMSSA-N 3 1 271.405 -0.077 20 0 CBADMP NC(=O)C[C@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903775181 584899042 /nfs/dbraw/zinc/89/90/42/584899042.db2.gz ILVLSEAPMXBREU-STQMWFEESA-N 2 1 297.399 -0.279 20 0 CBADMP NC(=O)C[C@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903775181 584899044 /nfs/dbraw/zinc/89/90/44/584899044.db2.gz ILVLSEAPMXBREU-STQMWFEESA-N 2 1 297.399 -0.279 20 0 CBADMP NS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903788182 584899726 /nfs/dbraw/zinc/89/97/26/584899726.db2.gz DSRZAIKSGUIJPZ-NWDGAFQWSA-N 2 1 275.418 -0.014 20 0 CBADMP COCC[C@@H]1C[NH2+]CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000903837292 584901556 /nfs/dbraw/zinc/90/15/56/584901556.db2.gz HROAGXBDBZJCMQ-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP COCCOC[C@H](O)C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903864185 584902586 /nfs/dbraw/zinc/90/25/86/584902586.db2.gz SVWNGCCOGYMJNM-XQQFMLRXSA-N 2 1 258.362 -0.177 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903864185 584902587 /nfs/dbraw/zinc/90/25/87/584902587.db2.gz SVWNGCCOGYMJNM-XQQFMLRXSA-N 2 1 258.362 -0.177 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@]12CC[NH2+]C2 ZINC000903870610 584902801 /nfs/dbraw/zinc/90/28/01/584902801.db2.gz ODBLBPIQHSUAIZ-KGLIPLIRSA-N 2 1 271.405 -0.247 20 0 CBADMP CNC(=O)[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903903963 584904450 /nfs/dbraw/zinc/90/44/50/584904450.db2.gz YTRIQKXCJICPFE-PSEXLTFBSA-N 2 1 267.373 -0.036 20 0 CBADMP CC1(C)C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1N ZINC000903986690 584905422 /nfs/dbraw/zinc/90/54/22/584905422.db2.gz PLTDWWGQWRBYOM-VXGBXAGGSA-N 2 1 268.405 -0.147 20 0 CBADMP CC1(C)C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1N ZINC000903986690 584905423 /nfs/dbraw/zinc/90/54/23/584905423.db2.gz PLTDWWGQWRBYOM-VXGBXAGGSA-N 2 1 268.405 -0.147 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000969170534 614091403 /nfs/dbraw/zinc/09/14/03/614091403.db2.gz SMLKQORXJZNFIA-CHWSQXEVSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000961581733 614365672 /nfs/dbraw/zinc/36/56/72/614365672.db2.gz MXRVAOWJPVNVRH-RFQIPJPRSA-N 2 1 297.399 -0.866 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000961581733 614365675 /nfs/dbraw/zinc/36/56/75/614365675.db2.gz MXRVAOWJPVNVRH-RFQIPJPRSA-N 2 1 297.399 -0.866 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000961581733 614365678 /nfs/dbraw/zinc/36/56/78/614365678.db2.gz MXRVAOWJPVNVRH-RFQIPJPRSA-N 2 1 297.399 -0.866 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000961581733 614365679 /nfs/dbraw/zinc/36/56/79/614365679.db2.gz MXRVAOWJPVNVRH-RFQIPJPRSA-N 2 1 297.399 -0.866 20 0 CBADMP CCN(C(=O)C12CC[NH+](CC1)C2)C1C[NH+](C[C@@H](C)O)C1 ZINC000957280587 614564627 /nfs/dbraw/zinc/56/46/27/614564627.db2.gz LKWLOPAMBVTDGU-GFCCVEGCSA-N 2 1 281.400 -0.004 20 0 CBADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CCCO)C1 ZINC000957385324 614676716 /nfs/dbraw/zinc/67/67/16/614676716.db2.gz HYKMKIGNOVLTBQ-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCCO)C1 ZINC000957385324 614676719 /nfs/dbraw/zinc/67/67/19/614676719.db2.gz HYKMKIGNOVLTBQ-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP CCC[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958593876 614789939 /nfs/dbraw/zinc/78/99/39/614789939.db2.gz CGESKZWMTZWKPY-CHWSQXEVSA-N 2 1 281.400 -0.099 20 0 CBADMP CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958593879 614802742 /nfs/dbraw/zinc/80/27/42/614802742.db2.gz CGESKZWMTZWKPY-STQMWFEESA-N 2 1 281.400 -0.099 20 0 CBADMP CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941666281 615087425 /nfs/dbraw/zinc/08/74/25/615087425.db2.gz SUYPDPRJAUQVJJ-CYBMUJFWSA-N 2 1 280.416 -0.214 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCO)C2)C1 ZINC000980454684 615169732 /nfs/dbraw/zinc/16/97/32/615169732.db2.gz WMPXKBGCNHPVOX-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCO)C2)C1 ZINC000980454684 615169736 /nfs/dbraw/zinc/16/97/36/615169736.db2.gz WMPXKBGCNHPVOX-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCO)C2)C1 ZINC000980454684 615169737 /nfs/dbraw/zinc/16/97/37/615169737.db2.gz WMPXKBGCNHPVOX-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)C1 ZINC000980454684 615169739 /nfs/dbraw/zinc/16/97/39/615169739.db2.gz WMPXKBGCNHPVOX-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2C[NH+](CCO)C2)C1 ZINC000970905167 615171183 /nfs/dbraw/zinc/17/11/83/615171183.db2.gz ULZZWKHYJRWDCJ-WCQYABFASA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2C[NH+](CCO)C2)C1 ZINC000970905167 615171185 /nfs/dbraw/zinc/17/11/85/615171185.db2.gz ULZZWKHYJRWDCJ-WCQYABFASA-N 2 1 285.388 -0.864 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000972353739 615373602 /nfs/dbraw/zinc/37/36/02/615373602.db2.gz HSRPNQMUPWNQIQ-MNOVXSKESA-N 2 1 270.377 -0.655 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000972353739 615373606 /nfs/dbraw/zinc/37/36/06/615373606.db2.gz HSRPNQMUPWNQIQ-MNOVXSKESA-N 2 1 270.377 -0.655 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1)[NH+](C)C ZINC000969988844 615374857 /nfs/dbraw/zinc/37/48/57/615374857.db2.gz GCMOXRLAIPYQIA-NEPJUHHUSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961284362 615439395 /nfs/dbraw/zinc/43/93/95/615439395.db2.gz TTYAAEUDFPKJBY-FYXRNUCBSA-N 2 1 291.395 -0.084 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961284362 615439397 /nfs/dbraw/zinc/43/93/97/615439397.db2.gz TTYAAEUDFPKJBY-FYXRNUCBSA-N 2 1 291.395 -0.084 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961284362 615439398 /nfs/dbraw/zinc/43/93/98/615439398.db2.gz TTYAAEUDFPKJBY-FYXRNUCBSA-N 2 1 291.395 -0.084 20 0 CBADMP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC000969629786 615537888 /nfs/dbraw/zinc/53/78/88/615537888.db2.gz HRUNTHPBDYYDTD-UPJWGTAASA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC000968921737 615538004 /nfs/dbraw/zinc/53/80/04/615538004.db2.gz HTRBUNFFBFXGMD-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC000968909978 615991526 /nfs/dbraw/zinc/99/15/26/615991526.db2.gz VZTYODKJIZQUKV-CHWSQXEVSA-N 2 1 297.378 -0.027 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971551867 616055734 /nfs/dbraw/zinc/05/57/34/616055734.db2.gz KZTUUZXHGHRREQ-QWHCGFSZSA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971551867 616055735 /nfs/dbraw/zinc/05/57/35/616055735.db2.gz KZTUUZXHGHRREQ-QWHCGFSZSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC1 ZINC000958373479 616167002 /nfs/dbraw/zinc/16/70/02/616167002.db2.gz FVRRIWAIORPRAT-ZIAGYGMSSA-N 2 1 299.415 -0.881 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000969595023 616192187 /nfs/dbraw/zinc/19/21/87/616192187.db2.gz JRZATZYEZZHPTA-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC000963632618 616192721 /nfs/dbraw/zinc/19/27/21/616192721.db2.gz UMDWZOCXRMQWHA-VDZFAJSBSA-N 2 1 294.399 -0.417 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[NH+](CCO)CCO2 ZINC000972295176 616210416 /nfs/dbraw/zinc/21/04/16/616210416.db2.gz RHUWMIKAUYJIPW-DZGCQCFKSA-N 2 1 297.399 -0.624 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[NH+](CCO)CCO2 ZINC000972295176 616210417 /nfs/dbraw/zinc/21/04/17/616210417.db2.gz RHUWMIKAUYJIPW-DZGCQCFKSA-N 2 1 297.399 -0.624 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972295176 616210418 /nfs/dbraw/zinc/21/04/18/616210418.db2.gz RHUWMIKAUYJIPW-DZGCQCFKSA-N 2 1 297.399 -0.624 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972295176 616210419 /nfs/dbraw/zinc/21/04/19/616210419.db2.gz RHUWMIKAUYJIPW-DZGCQCFKSA-N 2 1 297.399 -0.624 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCC[NH+](CCO)C3)C1 ZINC000981689458 616251045 /nfs/dbraw/zinc/25/10/45/616251045.db2.gz XVACSMZIUOSKSZ-CYBMUJFWSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCC[NH+](CCO)C3)C1 ZINC000981689458 616251046 /nfs/dbraw/zinc/25/10/46/616251046.db2.gz XVACSMZIUOSKSZ-CYBMUJFWSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CCC[N@H+](CCO)C3)C1 ZINC000981689458 616251047 /nfs/dbraw/zinc/25/10/47/616251047.db2.gz XVACSMZIUOSKSZ-CYBMUJFWSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](CCO)C3)C1 ZINC000981689458 616251048 /nfs/dbraw/zinc/25/10/48/616251048.db2.gz XVACSMZIUOSKSZ-CYBMUJFWSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCO)C3)C1 ZINC000963652816 616258625 /nfs/dbraw/zinc/25/86/25/616258625.db2.gz IDKCNAPQINCRHA-WRSKWOSUSA-N 2 1 297.399 -0.674 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCO)C3)C1 ZINC000963652816 616258626 /nfs/dbraw/zinc/25/86/26/616258626.db2.gz IDKCNAPQINCRHA-WRSKWOSUSA-N 2 1 297.399 -0.674 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCO)C1 ZINC000968796083 616258952 /nfs/dbraw/zinc/25/89/52/616258952.db2.gz FHABISJNPIFYBE-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCO)C1 ZINC000968796083 616258953 /nfs/dbraw/zinc/25/89/53/616258953.db2.gz FHABISJNPIFYBE-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CCO)C1 ZINC000968796083 616258954 /nfs/dbraw/zinc/25/89/54/616258954.db2.gz FHABISJNPIFYBE-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CCO)C1 ZINC000968796083 616258955 /nfs/dbraw/zinc/25/89/55/616258955.db2.gz FHABISJNPIFYBE-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940648273 616260096 /nfs/dbraw/zinc/26/00/96/616260096.db2.gz YQPNIIKUPSMXFP-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940648273 616260097 /nfs/dbraw/zinc/26/00/97/616260097.db2.gz YQPNIIKUPSMXFP-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCO)CC2(C)C)C1 ZINC000940648273 616260098 /nfs/dbraw/zinc/26/00/98/616260098.db2.gz YQPNIIKUPSMXFP-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCO)CC2(C)C)C1 ZINC000940648273 616260099 /nfs/dbraw/zinc/26/00/99/616260099.db2.gz YQPNIIKUPSMXFP-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000972730778 616268992 /nfs/dbraw/zinc/26/89/92/616268992.db2.gz AMSAYYAFGQLWIK-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000972730778 616268993 /nfs/dbraw/zinc/26/89/93/616268993.db2.gz AMSAYYAFGQLWIK-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972730778 616268994 /nfs/dbraw/zinc/26/89/94/616268994.db2.gz AMSAYYAFGQLWIK-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972730778 616268995 /nfs/dbraw/zinc/26/89/95/616268995.db2.gz AMSAYYAFGQLWIK-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000972733792 616269074 /nfs/dbraw/zinc/26/90/74/616269074.db2.gz RZIBBHDTALQNHU-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972733792 616269075 /nfs/dbraw/zinc/26/90/75/616269075.db2.gz RZIBBHDTALQNHU-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972733792 616269076 /nfs/dbraw/zinc/26/90/76/616269076.db2.gz RZIBBHDTALQNHU-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980390207 616362145 /nfs/dbraw/zinc/36/21/45/616362145.db2.gz GAZIKMIFXNZVQT-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+](CCO)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980390207 616362151 /nfs/dbraw/zinc/36/21/51/616362151.db2.gz GAZIKMIFXNZVQT-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+](CCO)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980390207 616362155 /nfs/dbraw/zinc/36/21/55/616362155.db2.gz GAZIKMIFXNZVQT-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970713002 616362654 /nfs/dbraw/zinc/36/26/54/616362654.db2.gz VALSGQGURFOGMX-NWDGAFQWSA-N 2 1 292.387 -0.543 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948039941 616623066 /nfs/dbraw/zinc/62/30/66/616623066.db2.gz LQVAJVGXWXROQT-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977589283 616629792 /nfs/dbraw/zinc/62/97/92/616629792.db2.gz QAYIZTSLTKGBKM-VXGBXAGGSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977589283 616629793 /nfs/dbraw/zinc/62/97/93/616629793.db2.gz QAYIZTSLTKGBKM-VXGBXAGGSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977589283 616629796 /nfs/dbraw/zinc/62/97/96/616629796.db2.gz QAYIZTSLTKGBKM-VXGBXAGGSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977589283 616629797 /nfs/dbraw/zinc/62/97/97/616629797.db2.gz QAYIZTSLTKGBKM-VXGBXAGGSA-N 2 1 296.415 -0.489 20 0 CBADMP CC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378252 658245888 /nfs/dbraw/zinc/24/58/88/658245888.db2.gz TVHSRMOIEJOWSL-BFHYXJOUSA-N 2 1 296.415 -0.023 20 0 CBADMP CN1C[C@@H]2[C@@H](CCC[N@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)C1=O ZINC000923375581 658246746 /nfs/dbraw/zinc/24/67/46/658246746.db2.gz BFJGGSCZZXKXSA-JHJVBQTASA-N 2 1 279.384 -0.083 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC2(CC[NH2+]2)CC1 ZINC000923379862 658246897 /nfs/dbraw/zinc/24/68/97/658246897.db2.gz ANRRCAMHSLVXSC-CYBMUJFWSA-N 2 1 271.405 -0.247 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H](O)COC[C@H]2CCCO2)CCCO1 ZINC000923377803 658247370 /nfs/dbraw/zinc/24/73/70/658247370.db2.gz CBZUHAFDIOFYJR-MGPQQGTHSA-N 2 1 288.388 -0.408 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)CCCO1 ZINC000923377803 658247383 /nfs/dbraw/zinc/24/73/83/658247383.db2.gz CBZUHAFDIOFYJR-MGPQQGTHSA-N 2 1 288.388 -0.408 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000923379237 658247686 /nfs/dbraw/zinc/24/76/86/658247686.db2.gz ZVPQNXOCKKHCJM-XQQFMLRXSA-N 2 1 270.373 -0.306 20 0 CBADMP CCCCCNC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459376 658288179 /nfs/dbraw/zinc/28/81/79/658288179.db2.gz HDNGDEKYUCSYQL-UHFFFAOYSA-N 2 1 256.394 -0.212 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923486318 658304447 /nfs/dbraw/zinc/30/44/47/658304447.db2.gz PJIGHCYWJGTTOV-AGIUHOORSA-N 2 1 296.415 -0.231 20 0 CBADMP C[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)CC[C@H]1C[NH3+] ZINC000923488404 658304848 /nfs/dbraw/zinc/30/48/48/658304848.db2.gz FLMRTBXMZROAJU-MNOVXSKESA-N 2 1 263.407 -0.206 20 0 CBADMP C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923623570 658357173 /nfs/dbraw/zinc/35/71/73/658357173.db2.gz BCHCOEUDPBXQBD-GFCCVEGCSA-N 2 1 287.429 -0.048 20 0 CBADMP CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923639040 658368049 /nfs/dbraw/zinc/36/80/49/658368049.db2.gz WHUFWAMZGUPORT-LLVKDONJSA-N 2 1 276.406 -0.790 20 0 CBADMP O=S(=O)([C@@H]1CCC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000923636904 658368668 /nfs/dbraw/zinc/36/86/68/658368668.db2.gz TVVZNFGHEAOJIV-GRYCIOLGSA-N 2 1 273.402 -0.106 20 0 CBADMP CCC[C@H]1C[NH2+]CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923639042 658369525 /nfs/dbraw/zinc/36/95/25/658369525.db2.gz WHUFWAMZGUPORT-NSHDSACASA-N 2 1 276.406 -0.790 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NCC[N@@H+](C)CCO)cn1 ZINC000925004518 658741984 /nfs/dbraw/zinc/74/19/84/658741984.db2.gz HWQRVXIQWOGIDG-UHFFFAOYSA-N 2 1 283.376 -0.901 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+](C)CCO ZINC000925007506 658743680 /nfs/dbraw/zinc/74/36/80/658743680.db2.gz QEOMYEMFNZFURC-TXEJJXNPSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)CCO ZINC000925007506 658743743 /nfs/dbraw/zinc/74/37/43/658743743.db2.gz QEOMYEMFNZFURC-TXEJJXNPSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+](C)CCO ZINC000925007506 658743829 /nfs/dbraw/zinc/74/38/29/658743829.db2.gz QEOMYEMFNZFURC-TXEJJXNPSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@H+]1CC[C@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925320970 658824940 /nfs/dbraw/zinc/82/49/40/658824940.db2.gz IGDGVEIGBIUPAM-UWVGGRQHSA-N 2 1 254.334 -0.437 20 0 CBADMP C[C@H]1[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)CC[N@H+]1C ZINC000925326623 658826329 /nfs/dbraw/zinc/82/63/29/658826329.db2.gz YWXHLEUVENVWNV-NWDGAFQWSA-N 2 1 284.404 -0.165 20 0 CBADMP CC[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000925788882 658871952 /nfs/dbraw/zinc/87/19/52/658871952.db2.gz CWBYLKXCRKXYDB-XQQFMLRXSA-N 2 1 289.445 -0.117 20 0 CBADMP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000928448369 659023180 /nfs/dbraw/zinc/02/31/80/659023180.db2.gz NVUJOAMOXMJZQW-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1[C@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000928453593 659026155 /nfs/dbraw/zinc/02/61/55/659026155.db2.gz YBXNGTURJUOPJR-VXGBXAGGSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@@H]1[C@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000928453593 659026162 /nfs/dbraw/zinc/02/61/62/659026162.db2.gz YBXNGTURJUOPJR-VXGBXAGGSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000928452419 659026588 /nfs/dbraw/zinc/02/65/88/659026588.db2.gz YKKDDCRTFXWATP-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000928452419 659026593 /nfs/dbraw/zinc/02/65/93/659026593.db2.gz YKKDDCRTFXWATP-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1C ZINC000928449328 659026789 /nfs/dbraw/zinc/02/67/89/659026789.db2.gz QCDDMKNDAWHFOK-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2C)cn1 ZINC000928553284 659036147 /nfs/dbraw/zinc/03/61/47/659036147.db2.gz MNCQPEJCATUBLA-LBPRGKRZSA-N 2 1 265.361 -0.121 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CC[N@H+]2C)cn1 ZINC000928553284 659036152 /nfs/dbraw/zinc/03/61/52/659036152.db2.gz MNCQPEJCATUBLA-LBPRGKRZSA-N 2 1 265.361 -0.121 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000928551126 659036228 /nfs/dbraw/zinc/03/62/28/659036228.db2.gz LDUIUUSRLUSBKY-NEPJUHHUSA-N 2 1 253.346 -0.473 20 0 CBADMP C[NH+]1CCC(OCC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000929159514 659095321 /nfs/dbraw/zinc/09/53/21/659095321.db2.gz UFLSFKVSWPWEED-UHFFFAOYSA-N 2 1 299.415 -0.064 20 0 CBADMP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000929194501 659098622 /nfs/dbraw/zinc/09/86/22/659098622.db2.gz AVEAGOGBAZHJLW-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000929194501 659098630 /nfs/dbraw/zinc/09/86/30/659098630.db2.gz AVEAGOGBAZHJLW-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)C[NH+]1CCCC1 ZINC000929565171 659141084 /nfs/dbraw/zinc/14/10/84/659141084.db2.gz QCGSURJYUVFZED-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C[NH+]1CCCC1 ZINC000929565171 659141088 /nfs/dbraw/zinc/14/10/88/659141088.db2.gz QCGSURJYUVFZED-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000929866893 659183134 /nfs/dbraw/zinc/18/31/34/659183134.db2.gz JDMXNYOZXWUQSE-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000929866893 659183140 /nfs/dbraw/zinc/18/31/40/659183140.db2.gz JDMXNYOZXWUQSE-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000929866893 659183145 /nfs/dbraw/zinc/18/31/45/659183145.db2.gz JDMXNYOZXWUQSE-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000929866893 659183146 /nfs/dbraw/zinc/18/31/46/659183146.db2.gz JDMXNYOZXWUQSE-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC1(C)CNC(=O)[C@@H]1[NH2+]CCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931652752 659503744 /nfs/dbraw/zinc/50/37/44/659503744.db2.gz IZCVCPMMKYDUNK-QWRGUYRKSA-N 2 1 296.415 -0.395 20 0 CBADMP C[N@@H+]1CC[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]2C1 ZINC000931438561 659460464 /nfs/dbraw/zinc/46/04/64/659460464.db2.gz KHXBWMCWNRIARS-MNOVXSKESA-N 2 1 261.391 -0.581 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]2C1 ZINC000931438561 659460476 /nfs/dbraw/zinc/46/04/76/659460476.db2.gz KHXBWMCWNRIARS-MNOVXSKESA-N 2 1 261.391 -0.581 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2C1 ZINC000931438561 659460494 /nfs/dbraw/zinc/46/04/94/659460494.db2.gz KHXBWMCWNRIARS-MNOVXSKESA-N 2 1 261.391 -0.581 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2C1 ZINC000931438561 659460501 /nfs/dbraw/zinc/46/05/01/659460501.db2.gz KHXBWMCWNRIARS-MNOVXSKESA-N 2 1 261.391 -0.581 20 0 CBADMP C[C@@H]1NC(=O)N(CC[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1=O ZINC000931441244 659461366 /nfs/dbraw/zinc/46/13/66/659461366.db2.gz FMQNVVUENKPVKH-SDDRHHMPSA-N 2 1 280.372 -0.190 20 0 CBADMP C[C@@H]1NC(=O)N(CC[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)C1=O ZINC000931441244 659461394 /nfs/dbraw/zinc/46/13/94/659461394.db2.gz FMQNVVUENKPVKH-SDDRHHMPSA-N 2 1 280.372 -0.190 20 0 CBADMP C[C@@H]1NC(=O)N(CC[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)C1=O ZINC000931441244 659461412 /nfs/dbraw/zinc/46/14/12/659461412.db2.gz FMQNVVUENKPVKH-SDDRHHMPSA-N 2 1 280.372 -0.190 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1=O ZINC000931441699 659463567 /nfs/dbraw/zinc/46/35/67/659463567.db2.gz NJYMVHHBVYNDIR-NWDGAFQWSA-N 2 1 280.372 -0.236 20 0 CBADMP CN1CC(=O)N(CC[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)C1=O ZINC000931441699 659463587 /nfs/dbraw/zinc/46/35/87/659463587.db2.gz NJYMVHHBVYNDIR-NWDGAFQWSA-N 2 1 280.372 -0.236 20 0 CBADMP CN1CC(=O)N(CC[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)C1=O ZINC000931441699 659463605 /nfs/dbraw/zinc/46/36/05/659463605.db2.gz NJYMVHHBVYNDIR-NWDGAFQWSA-N 2 1 280.372 -0.236 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@@H]2C1 ZINC000931440884 659466122 /nfs/dbraw/zinc/46/61/22/659466122.db2.gz ZECOIKHBOLJIBJ-OLZOCXBDSA-N 2 1 287.429 -0.095 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2C1 ZINC000931440884 659466131 /nfs/dbraw/zinc/46/61/31/659466131.db2.gz ZECOIKHBOLJIBJ-OLZOCXBDSA-N 2 1 287.429 -0.095 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2C1 ZINC000931440884 659466138 /nfs/dbraw/zinc/46/61/38/659466138.db2.gz ZECOIKHBOLJIBJ-OLZOCXBDSA-N 2 1 287.429 -0.095 20 0 CBADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)CCO1 ZINC000931488375 659470233 /nfs/dbraw/zinc/47/02/33/659470233.db2.gz QNLFLNDIUUCIBT-CYBMUJFWSA-N 2 1 299.415 -0.378 20 0 CBADMP C#CCNC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957083 656023046 /nfs/dbraw/zinc/02/30/46/656023046.db2.gz GVTYCPFVVDAUDA-UHFFFAOYSA-N 2 1 279.384 -0.220 20 0 CBADMP CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000053245837 656025487 /nfs/dbraw/zinc/02/54/87/656025487.db2.gz YEXPJTSDPDXBOG-NSHDSACASA-N 2 1 276.406 -0.838 20 0 CBADMP CNC(=O)[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298865 656026497 /nfs/dbraw/zinc/02/64/97/656026497.db2.gz CPKIUKPQGPNBGZ-LLVKDONJSA-N 2 1 268.361 -0.981 20 0 CBADMP CNC(NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)=[NH+]C ZINC000066246643 656036358 /nfs/dbraw/zinc/03/63/58/656036358.db2.gz DILXSWKESQTFFN-LLVKDONJSA-N 2 1 269.393 -0.276 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H](O)C(F)(F)F ZINC000068890089 656038312 /nfs/dbraw/zinc/03/83/12/656038312.db2.gz ADMCRDAURWEBMQ-SECBINFHSA-N 2 1 255.284 -0.253 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H](O)C(F)(F)F ZINC000068890089 656038313 /nfs/dbraw/zinc/03/83/13/656038313.db2.gz ADMCRDAURWEBMQ-SECBINFHSA-N 2 1 255.284 -0.253 20 0 CBADMP C[N@@H+](CC[C@H]1CCCO1)CC(=O)N1CC[NH2+]CC1 ZINC000087266378 656052020 /nfs/dbraw/zinc/05/20/20/656052020.db2.gz AHRAJEZBNQRTCL-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CC[NH2+]CC1 ZINC000091668590 656058697 /nfs/dbraw/zinc/05/86/97/656058697.db2.gz OCCUYDGQRPMBBO-STQMWFEESA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668052 656059266 /nfs/dbraw/zinc/05/92/66/656059266.db2.gz YGXYLVYDNANMPE-YNEHKIRRSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@]1(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000091668128 656059271 /nfs/dbraw/zinc/05/92/71/656059271.db2.gz CBQORJXYPGISQS-DYEKYZERSA-N 2 1 267.373 -0.035 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000092631710 656059796 /nfs/dbraw/zinc/05/97/96/656059796.db2.gz IRRQLUKEKCWWCD-LLVKDONJSA-N 2 1 276.406 -0.838 20 0 CBADMP O=C(N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[C@@]1(F)CC[NH2+]C1 ZINC000186701292 656095416 /nfs/dbraw/zinc/09/54/16/656095416.db2.gz JYMADVHNQNGXPO-BXUZGUMPSA-N 2 1 298.362 -0.889 20 0 CBADMP COC(=O)N[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000228270629 656109670 /nfs/dbraw/zinc/10/96/70/656109670.db2.gz KZXGXDOPMNOZFF-NSHDSACASA-N 2 1 284.360 -0.761 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCC[NH2+]1 ZINC000252713708 656123990 /nfs/dbraw/zinc/12/39/90/656123990.db2.gz PZKHANZTGZKQJC-SDDRHHMPSA-N 2 1 253.346 -0.282 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261602797 656125344 /nfs/dbraw/zinc/12/53/44/656125344.db2.gz QNUBYWUDULDECB-SNVBAGLBSA-N 2 1 268.361 -0.094 20 0 CBADMP CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000262198050 656129509 /nfs/dbraw/zinc/12/95/09/656129509.db2.gz ZRNQZFOEESPOHL-LLVKDONJSA-N 2 1 270.377 -0.558 20 0 CBADMP CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000262198050 656129511 /nfs/dbraw/zinc/12/95/11/656129511.db2.gz ZRNQZFOEESPOHL-LLVKDONJSA-N 2 1 270.377 -0.558 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)C1CC[NH2+]CC1 ZINC000311033682 656144854 /nfs/dbraw/zinc/14/48/54/656144854.db2.gz NTULXYAHKDYRJN-CYBMUJFWSA-N 2 1 259.394 -0.391 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)CN1CCOC[C@@H](C)C1 ZINC000311120970 656144898 /nfs/dbraw/zinc/14/48/98/656144898.db2.gz OQIBBYBSFDFQJC-QWHCGFSZSA-N 2 1 260.378 -0.106 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCOC[C@@H](C)C1 ZINC000311120970 656144901 /nfs/dbraw/zinc/14/49/01/656144901.db2.gz OQIBBYBSFDFQJC-QWHCGFSZSA-N 2 1 260.378 -0.106 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000311169813 656145706 /nfs/dbraw/zinc/14/57/06/656145706.db2.gz RZFYWDUEFOTBCM-RWMBFGLXSA-N 2 1 259.394 -0.405 20 0 CBADMP C[NH2+]C[C@H]1CCCCN1C[C@H](O)C[N@@H+](C)CCOC ZINC000311456049 656145655 /nfs/dbraw/zinc/14/56/55/656145655.db2.gz KOJATYKQGUZXOB-ZIAGYGMSSA-N 2 1 273.421 -0.001 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000311601515 656145675 /nfs/dbraw/zinc/14/56/75/656145675.db2.gz TUBGZBZJSDGWAF-KGLIPLIRSA-N 2 1 271.405 -0.389 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000311588348 656145710 /nfs/dbraw/zinc/14/57/10/656145710.db2.gz QINKEVULVIWIOO-MJBXVCDLSA-N 2 1 271.405 -0.533 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000311588348 656145713 /nfs/dbraw/zinc/14/57/13/656145713.db2.gz QINKEVULVIWIOO-MJBXVCDLSA-N 2 1 271.405 -0.533 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000311588348 656145715 /nfs/dbraw/zinc/14/57/15/656145715.db2.gz QINKEVULVIWIOO-MJBXVCDLSA-N 2 1 271.405 -0.533 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000311601511 656145846 /nfs/dbraw/zinc/14/58/46/656145846.db2.gz TUBGZBZJSDGWAF-KBPBESRZSA-N 2 1 271.405 -0.389 20 0 CBADMP COCCOCCOCC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313356820 656147613 /nfs/dbraw/zinc/14/76/13/656147613.db2.gz SDERGNNDZFRSPL-CYBMUJFWSA-N 2 1 276.377 -0.284 20 0 CBADMP COCCOCCOCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313356820 656147614 /nfs/dbraw/zinc/14/76/14/656147614.db2.gz SDERGNNDZFRSPL-CYBMUJFWSA-N 2 1 276.377 -0.284 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000313080215 656147664 /nfs/dbraw/zinc/14/76/64/656147664.db2.gz LGGDWXKNUBOUCX-XQLPTFJDSA-N 2 1 285.432 -0.015 20 0 CBADMP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000313080215 656147665 /nfs/dbraw/zinc/14/76/65/656147665.db2.gz LGGDWXKNUBOUCX-XQLPTFJDSA-N 2 1 285.432 -0.015 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000313080215 656147667 /nfs/dbraw/zinc/14/76/67/656147667.db2.gz LGGDWXKNUBOUCX-XQLPTFJDSA-N 2 1 285.432 -0.015 20 0 CBADMP C[C@H]1OCC[NH2+][C@H]1C(=O)NCCCN1CCOCC1 ZINC000328355981 656148781 /nfs/dbraw/zinc/14/87/81/656148781.db2.gz OEOGVKDZIAHHOG-VXGBXAGGSA-N 2 1 271.361 -0.798 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000702387094 656180676 /nfs/dbraw/zinc/18/06/76/656180676.db2.gz JWMKFNICNHFMLU-LBPRGKRZSA-N 2 1 272.393 -0.944 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000702424650 656181387 /nfs/dbraw/zinc/18/13/87/656181387.db2.gz ZCTOAGALRHJOFH-QJPTWQEYSA-N 2 1 254.378 -0.382 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000703153698 656183008 /nfs/dbraw/zinc/18/30/08/656183008.db2.gz RCPYMTQHLFWJIF-YFKTTZPYSA-N 2 1 269.345 -0.918 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000703153694 656183126 /nfs/dbraw/zinc/18/31/26/656183126.db2.gz RCPYMTQHLFWJIF-QCNOEVLYSA-N 2 1 269.345 -0.918 20 0 CBADMP [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000703612566 656183573 /nfs/dbraw/zinc/18/35/73/656183573.db2.gz VXHVRVIMJTWQQZ-KXNHARMFSA-N 2 1 253.346 -0.297 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH2+]C[C@H]1C(C)C ZINC000704595586 656184315 /nfs/dbraw/zinc/18/43/15/656184315.db2.gz NKFKHOFVCWNYRW-KBPBESRZSA-N 2 1 273.421 -0.145 20 0 CBADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)[C@H]1OC ZINC000705673500 656186882 /nfs/dbraw/zinc/18/68/82/656186882.db2.gz QLVZKHOJJZZIOS-LOWDOPEQSA-N 2 1 258.362 -0.165 20 0 CBADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)[C@H]1OC ZINC000705673500 656186883 /nfs/dbraw/zinc/18/68/83/656186883.db2.gz QLVZKHOJJZZIOS-LOWDOPEQSA-N 2 1 258.362 -0.165 20 0 CBADMP OCC[NH2+][C@@H]1CCCN(CCC[NH+]2CCOCC2)C1 ZINC000708580268 656194201 /nfs/dbraw/zinc/19/42/01/656194201.db2.gz ZRCZQZPGHMEWGV-CQSZACIVSA-N 2 1 271.405 -0.245 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCOCC1)C2 ZINC000709856523 656196417 /nfs/dbraw/zinc/19/64/17/656196417.db2.gz VUDDUNZODVLOEV-SRVKXCTJSA-N 2 1 253.346 -0.343 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCOCC1)C2 ZINC000709856523 656196418 /nfs/dbraw/zinc/19/64/18/656196418.db2.gz VUDDUNZODVLOEV-SRVKXCTJSA-N 2 1 253.346 -0.343 20 0 CBADMP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000710128307 656197152 /nfs/dbraw/zinc/19/71/52/656197152.db2.gz PEUSHDNCMFPIRT-GRYCIOLGSA-N 2 1 267.373 -0.036 20 0 CBADMP COC[C@]1(C(=O)NCC[N@@H+](C)C2CC2)C[NH2+]CCO1 ZINC000710755341 656200462 /nfs/dbraw/zinc/20/04/62/656200462.db2.gz NPDAMIWYTBTGAM-ZDUSSCGKSA-N 2 1 271.361 -0.798 20 0 CBADMP COC[C@@]1(C(=O)N[C@H]2CCC[N@@H+](C)C2)C[NH2+]CCO1 ZINC000710755550 656200539 /nfs/dbraw/zinc/20/05/39/656200539.db2.gz PTZIWTJKWSDPRE-WCQYABFASA-N 2 1 271.361 -0.798 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710829888 656204566 /nfs/dbraw/zinc/20/45/66/656204566.db2.gz PTVVVHRTIWKERA-TZMCWYRMSA-N 2 1 287.404 -0.162 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CCC1(C)C ZINC000712671410 656211128 /nfs/dbraw/zinc/21/11/28/656211128.db2.gz BCROPBJQQXMIPU-UHFFFAOYSA-N 2 1 282.388 -0.639 20 0 CBADMP CCn1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)nn1 ZINC000714443933 656216178 /nfs/dbraw/zinc/21/61/78/656216178.db2.gz ASHVJEHQENLEBT-NSHDSACASA-N 2 1 280.376 -0.415 20 0 CBADMP CCn1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)nn1 ZINC000714443933 656216180 /nfs/dbraw/zinc/21/61/80/656216180.db2.gz ASHVJEHQENLEBT-NSHDSACASA-N 2 1 280.376 -0.415 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715032528 656218089 /nfs/dbraw/zinc/21/80/89/656218089.db2.gz DJVINRWSYPGKAR-ILXRZTDVSA-N 2 1 285.432 -0.001 20 0 CBADMP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1(F)F ZINC000715094850 656218656 /nfs/dbraw/zinc/21/86/56/656218656.db2.gz PFLNIGNLIJXKGM-LMLFDSFASA-N 2 1 289.326 -0.194 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)C12CC[NH+](CC1)C2 ZINC000715878786 656220861 /nfs/dbraw/zinc/22/08/61/656220861.db2.gz YNMFSPLDSGERSP-UHFFFAOYSA-N 2 1 255.362 -0.535 20 0 CBADMP O=C(N1CCC[N@H+](CCO)CC1)C12CC[NH+](CC1)C2 ZINC000715843711 656221036 /nfs/dbraw/zinc/22/10/36/656221036.db2.gz TUGLXCJIHKCLTE-UHFFFAOYSA-N 2 1 267.373 -0.391 20 0 CBADMP Cn1ncc(C[NH3+])c1C(=O)NCC[N@@H+](C)C1CC1 ZINC000719192375 656235098 /nfs/dbraw/zinc/23/50/98/656235098.db2.gz NFRUYKJFHIYXMP-UHFFFAOYSA-N 2 1 251.334 -0.297 20 0 CBADMP C[NH+](C)CCNC(=S)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000780224319 656240844 /nfs/dbraw/zinc/24/08/44/656240844.db2.gz CERGQOQEXQKMOK-UHFFFAOYSA-N 2 1 288.461 -0.189 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000884640336 656253482 /nfs/dbraw/zinc/25/34/82/656253482.db2.gz BHWRDCRPRRDDRE-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CCCC1 ZINC000884640417 656253670 /nfs/dbraw/zinc/25/36/70/656253670.db2.gz DWUQBQZDTUMDOF-AAEUAGOBSA-N 2 1 294.399 -0.450 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000884687020 656253933 /nfs/dbraw/zinc/25/39/33/656253933.db2.gz FLRWLDKUYDQDBU-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000884787516 656255217 /nfs/dbraw/zinc/25/52/17/656255217.db2.gz UWNSOVKUIHZVLR-SRVKXCTJSA-N 2 1 282.388 -0.465 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895713970 656282866 /nfs/dbraw/zinc/28/28/66/656282866.db2.gz XOIMMLHEIKLFQU-AWEZNQCLSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000897440082 656292932 /nfs/dbraw/zinc/29/29/32/656292932.db2.gz MPVLAQMGVMJNLH-DGCLKSJQSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000897440083 656293157 /nfs/dbraw/zinc/29/31/57/656293157.db2.gz MPVLAQMGVMJNLH-WCQYABFASA-N 2 1 257.378 -0.101 20 0 CBADMP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CC([NH+]2CCCC2)C1 ZINC000898608255 656300708 /nfs/dbraw/zinc/30/07/08/656300708.db2.gz MXMYJYGNYRNTGD-CQSZACIVSA-N 2 1 278.400 -0.317 20 0 CBADMP C[C@@H]1CC[N@H+](CCNC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900913727 656313968 /nfs/dbraw/zinc/31/39/68/656313968.db2.gz ZBSIAFNSMZPZIM-DYEKYZERSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900913727 656313972 /nfs/dbraw/zinc/31/39/72/656313972.db2.gz ZBSIAFNSMZPZIM-DYEKYZERSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900913727 656313975 /nfs/dbraw/zinc/31/39/75/656313975.db2.gz ZBSIAFNSMZPZIM-DYEKYZERSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900913727 656313980 /nfs/dbraw/zinc/31/39/80/656313980.db2.gz ZBSIAFNSMZPZIM-DYEKYZERSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000903754976 656322564 /nfs/dbraw/zinc/32/25/64/656322564.db2.gz WQONUQRYDBPDGK-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904301465 656324298 /nfs/dbraw/zinc/32/42/98/656324298.db2.gz IRTRUGZEGFAKSH-SDDRHHMPSA-N 2 1 275.418 -0.015 20 0 CBADMP CCS(=O)(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904307215 656324456 /nfs/dbraw/zinc/32/44/56/656324456.db2.gz LQQTXACWFVIKIC-PHIMTYICSA-N 2 1 261.391 -0.309 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904380405 656325718 /nfs/dbraw/zinc/32/57/18/656325718.db2.gz BRSJIPAJAUUYDX-UTUOFQBUSA-N 2 1 275.418 -0.015 20 0 CBADMP [NH3+]CC1(O)CCN(Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC000904372707 656326226 /nfs/dbraw/zinc/32/62/26/656326226.db2.gz HEESCSYOQNDACF-UHFFFAOYSA-N 2 1 294.399 -0.025 20 0 CBADMP C[C@]1(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)CC[NH2+]C1 ZINC000904428610 656326507 /nfs/dbraw/zinc/32/65/07/656326507.db2.gz NANRDNKZZCZAAI-QWRGUYRKSA-N 2 1 261.391 -0.404 20 0 CBADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC[NH2+]1 ZINC000904429182 656326562 /nfs/dbraw/zinc/32/65/62/656326562.db2.gz YRUDBTYWHKEEDO-IJLUTSLNSA-N 2 1 275.418 -0.015 20 0 CBADMP C[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C[NH3+] ZINC000904410970 656326945 /nfs/dbraw/zinc/32/69/45/656326945.db2.gz ICHZMQGPEFZYDV-WDEREUQCSA-N 2 1 280.372 -0.499 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)C[C@]2(C)C1 ZINC000904959754 656330538 /nfs/dbraw/zinc/33/05/38/656330538.db2.gz MAXPMVKAVNAKAA-XUJVJEKNSA-N 2 1 294.399 -0.654 20 0 CBADMP COCC[N@@H+](C)CCC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905036740 656335807 /nfs/dbraw/zinc/33/58/07/656335807.db2.gz UKVDOZSKMKGWAM-ZDUSSCGKSA-N 2 1 290.404 -0.553 20 0 CBADMP [NH3+]C1CC[NH+](CCc2cn(C3=NOCC3)nn2)CC1 ZINC000905062886 656336317 /nfs/dbraw/zinc/33/63/17/656336317.db2.gz WIWOKCFIWIAHHM-UHFFFAOYSA-N 2 1 264.333 -0.174 20 0 CBADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1(O)CCOCC1 ZINC000905060958 656336503 /nfs/dbraw/zinc/33/65/03/656336503.db2.gz ZMVJSXYIAMQCIF-JSGCOSHPSA-N 2 1 284.400 -0.037 20 0 CBADMP O[C@H](CNC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1(O)CCC1 ZINC000905077321 656337169 /nfs/dbraw/zinc/33/71/69/656337169.db2.gz XCYGHMHPYRQTFW-RWMBFGLXSA-N 2 1 270.373 -0.285 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NCC(C)(C)[NH+](C)C)C1 ZINC000905221982 656346179 /nfs/dbraw/zinc/34/61/79/656346179.db2.gz HYDIGQXOVSJTRT-UHFFFAOYSA-N 2 1 270.421 -0.064 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905352479 656352731 /nfs/dbraw/zinc/35/27/31/656352731.db2.gz DHXLSGKMHBWSSJ-RYUDHWBXSA-N 2 1 260.378 -0.398 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)C[C@@H]1CCCO1)C1CC1 ZINC000905460522 656357948 /nfs/dbraw/zinc/35/79/48/656357948.db2.gz MCUWNQOYAULUHA-BNOWGMLFSA-N 2 1 272.389 -0.039 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)C[C@@H]1CCCO1)C1CC1 ZINC000905460522 656357950 /nfs/dbraw/zinc/35/79/50/656357950.db2.gz MCUWNQOYAULUHA-BNOWGMLFSA-N 2 1 272.389 -0.039 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000905494590 656360016 /nfs/dbraw/zinc/36/00/16/656360016.db2.gz YPXPUKVHZDQWTJ-ADEWGFFLSA-N 2 1 256.346 -0.160 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000905494590 656360018 /nfs/dbraw/zinc/36/00/18/656360018.db2.gz YPXPUKVHZDQWTJ-ADEWGFFLSA-N 2 1 256.346 -0.160 20 0 CBADMP Cn1nnc2c1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000905631926 656364255 /nfs/dbraw/zinc/36/42/55/656364255.db2.gz CRCZSMQOOMTXIF-CMPLNLGQSA-N 2 1 279.388 -0.283 20 0 CBADMP Cn1nnc2c1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000905631926 656364258 /nfs/dbraw/zinc/36/42/58/656364258.db2.gz CRCZSMQOOMTXIF-CMPLNLGQSA-N 2 1 279.388 -0.283 20 0 CBADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC[C@@H](O)CO ZINC000905710107 656366609 /nfs/dbraw/zinc/36/66/09/656366609.db2.gz SXXTYZZDUCYMFE-UONOGXRCSA-N 2 1 268.357 -0.578 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000906622110 656394613 /nfs/dbraw/zinc/39/46/13/656394613.db2.gz OWEOEYDCQNQNQO-ZDUSSCGKSA-N 2 1 282.432 -0.062 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000906622110 656394615 /nfs/dbraw/zinc/39/46/15/656394615.db2.gz OWEOEYDCQNQNQO-ZDUSSCGKSA-N 2 1 282.432 -0.062 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000906622110 656394619 /nfs/dbraw/zinc/39/46/19/656394619.db2.gz OWEOEYDCQNQNQO-ZDUSSCGKSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996300194 656406875 /nfs/dbraw/zinc/40/68/75/656406875.db2.gz KDLDJBBHLFQFHG-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1)C(N)=O ZINC000996667033 656451920 /nfs/dbraw/zinc/45/19/20/656451920.db2.gz VYUQCQQMGJWPAP-NSHDSACASA-N 2 1 296.415 -0.075 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CCC([NH2+]CCO)CC1 ZINC000997094363 656466184 /nfs/dbraw/zinc/46/61/84/656466184.db2.gz QNTRWNJVEVSVTG-UHFFFAOYSA-N 2 1 285.388 -0.718 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997310851 656472473 /nfs/dbraw/zinc/47/24/73/656472473.db2.gz VNBCSVYBWOUHNN-UHFFFAOYSA-N 2 1 279.344 -0.743 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997301020 656472765 /nfs/dbraw/zinc/47/27/65/656472765.db2.gz ZSKYULNRRMQZMR-JTQLQIEISA-N 2 1 268.361 -0.996 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]C[C@H](C)O)CC2)C1 ZINC000997337893 656473204 /nfs/dbraw/zinc/47/32/04/656473204.db2.gz WWMCPXVXEBLETB-GXTWGEPZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]C[C@H](C)O)CC2)C1 ZINC000997337893 656473208 /nfs/dbraw/zinc/47/32/08/656473208.db2.gz WWMCPXVXEBLETB-GXTWGEPZSA-N 2 1 299.415 -0.332 20 0 CBADMP Cn1cncc1CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000907309002 656485782 /nfs/dbraw/zinc/48/57/82/656485782.db2.gz YIPOBFBYAGAOSP-WCQYABFASA-N 2 1 266.345 -0.466 20 0 CBADMP Cn1cncc1CCNC(=O)[C@@]1(C)C[C@H](O)CN1C ZINC000907309002 656485783 /nfs/dbraw/zinc/48/57/83/656485783.db2.gz YIPOBFBYAGAOSP-WCQYABFASA-N 2 1 266.345 -0.466 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000907386531 656498395 /nfs/dbraw/zinc/49/83/95/656498395.db2.gz DXVRHEICTUGIQQ-ZIAGYGMSSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000907386531 656498401 /nfs/dbraw/zinc/49/84/01/656498401.db2.gz DXVRHEICTUGIQQ-ZIAGYGMSSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000907386531 656498402 /nfs/dbraw/zinc/49/84/02/656498402.db2.gz DXVRHEICTUGIQQ-ZIAGYGMSSA-N 2 1 285.388 -0.984 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000907386528 656498452 /nfs/dbraw/zinc/49/84/52/656498452.db2.gz DXVRHEICTUGIQQ-KBPBESRZSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000907386528 656498454 /nfs/dbraw/zinc/49/84/54/656498454.db2.gz DXVRHEICTUGIQQ-KBPBESRZSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000907386528 656498458 /nfs/dbraw/zinc/49/84/58/656498458.db2.gz DXVRHEICTUGIQQ-KBPBESRZSA-N 2 1 285.388 -0.984 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]CCO)C1 ZINC000998535728 656544594 /nfs/dbraw/zinc/54/45/94/656544594.db2.gz PMDSVNFCMHKTHL-HTAVTVPLSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CCO)C2)CC[N@H+]1C ZINC000998792033 656586582 /nfs/dbraw/zinc/58/65/82/656586582.db2.gz QZOHDJMXPJJZGW-IKWCTNDRSA-N 2 1 269.389 -0.102 20 0 CBADMP CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998823600 656587221 /nfs/dbraw/zinc/58/72/21/656587221.db2.gz JEJIBZHGYSCNIF-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998823600 656587235 /nfs/dbraw/zinc/58/72/35/656587235.db2.gz JEJIBZHGYSCNIF-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NCC[NH+]2CC=CCC2)C1 ZINC000907884593 656603258 /nfs/dbraw/zinc/60/32/58/656603258.db2.gz BUGSUBIFSDARCA-UHFFFAOYSA-N 2 1 280.416 -0.142 20 0 CBADMP CN(C(=O)c1cc(C[NH+](C)C)on1)C1CC([NH2+]CCO)C1 ZINC000999024241 656603451 /nfs/dbraw/zinc/60/34/51/656603451.db2.gz OMYYALAXVCZVEI-UHFFFAOYSA-N 2 1 296.371 -0.079 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC000999208232 656617105 /nfs/dbraw/zinc/61/71/05/656617105.db2.gz MFGQHECDKVWOHI-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CCO)C2)C1 ZINC000999292727 656620034 /nfs/dbraw/zinc/62/00/34/656620034.db2.gz FOECDBHKSCEAFK-RUXDESIVSA-N 2 1 299.415 -0.333 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CCO)C2)C1 ZINC000999292727 656620037 /nfs/dbraw/zinc/62/00/37/656620037.db2.gz FOECDBHKSCEAFK-RUXDESIVSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC000999293948 656620267 /nfs/dbraw/zinc/62/02/67/656620267.db2.gz NYWBFUONPANVNI-ZSVAQUKISA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]CCO)C2)C1 ZINC000999408418 656628775 /nfs/dbraw/zinc/62/87/75/656628775.db2.gz KLXJSBVJRFUFOC-PNESKVBLSA-N 2 1 269.389 -0.101 20 0 CBADMP CCN1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)[C@H](C)C1 ZINC000908136248 656651835 /nfs/dbraw/zinc/65/18/35/656651835.db2.gz BKDVZRCFDJORJH-DYEKYZERSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908196717 656662870 /nfs/dbraw/zinc/66/28/70/656662870.db2.gz ZEWIIRLUZBAYSP-AAEUAGOBSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000908200274 656665821 /nfs/dbraw/zinc/66/58/21/656665821.db2.gz IDPLPMYGCNGFJO-WDEREUQCSA-N 2 1 257.378 -0.102 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000908346339 656710131 /nfs/dbraw/zinc/71/01/31/656710131.db2.gz GBSZXQQCJFJCMP-MNXVOIDGSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000908346339 656710143 /nfs/dbraw/zinc/71/01/43/656710143.db2.gz GBSZXQQCJFJCMP-MNXVOIDGSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000908346339 656710158 /nfs/dbraw/zinc/71/01/58/656710158.db2.gz GBSZXQQCJFJCMP-MNXVOIDGSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000908363562 656712093 /nfs/dbraw/zinc/71/20/93/656712093.db2.gz RCLLAUXHDGSHCC-CFVMTHIKSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)C2)C1 ZINC000908363562 656712097 /nfs/dbraw/zinc/71/20/97/656712097.db2.gz RCLLAUXHDGSHCC-CFVMTHIKSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)C2)C1 ZINC000908363562 656712103 /nfs/dbraw/zinc/71/21/03/656712103.db2.gz RCLLAUXHDGSHCC-CFVMTHIKSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCO)CC1 ZINC001000517331 656732360 /nfs/dbraw/zinc/73/23/60/656732360.db2.gz GMWXYZHVYLZERN-ZDUSSCGKSA-N 2 1 267.373 -0.179 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCO)CC1 ZINC001000517331 656732368 /nfs/dbraw/zinc/73/23/68/656732368.db2.gz GMWXYZHVYLZERN-ZDUSSCGKSA-N 2 1 267.373 -0.179 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001000517331 656732379 /nfs/dbraw/zinc/73/23/79/656732379.db2.gz GMWXYZHVYLZERN-ZDUSSCGKSA-N 2 1 267.373 -0.179 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](CC(N)=O)CC2)CC[N@@H+]1C ZINC001000702616 656759967 /nfs/dbraw/zinc/75/99/67/656759967.db2.gz VNKDAAJWUFSNEA-DGCLKSJQSA-N 2 1 294.399 -0.440 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](CC(N)=O)CC2)CC[N@H+]1C ZINC001000702616 656759973 /nfs/dbraw/zinc/75/99/73/656759973.db2.gz VNKDAAJWUFSNEA-DGCLKSJQSA-N 2 1 294.399 -0.440 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)CC[NH+]1C ZINC001000702616 656759978 /nfs/dbraw/zinc/75/99/78/656759978.db2.gz VNKDAAJWUFSNEA-DGCLKSJQSA-N 2 1 294.399 -0.440 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)CC[NH+]1C ZINC001000702616 656759983 /nfs/dbraw/zinc/75/99/83/656759983.db2.gz VNKDAAJWUFSNEA-DGCLKSJQSA-N 2 1 294.399 -0.440 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000979779 656779882 /nfs/dbraw/zinc/77/98/82/656779882.db2.gz TVTZBUUWNOAAKV-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000979779 656779874 /nfs/dbraw/zinc/77/98/74/656779874.db2.gz TVTZBUUWNOAAKV-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000909144909 656782052 /nfs/dbraw/zinc/78/20/52/656782052.db2.gz AOXLTHZMNIREMW-WDNDVIMCSA-N 2 1 280.416 -0.502 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001001007436 656785030 /nfs/dbraw/zinc/78/50/30/656785030.db2.gz KMYIJFGCAWWGRX-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC(C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)CC1 ZINC001001116875 656800104 /nfs/dbraw/zinc/80/01/04/656800104.db2.gz MMQWPIWDEYASHG-UHFFFAOYSA-N 2 1 294.399 -0.438 20 0 CBADMP C[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)CC1 ZINC001001116875 656800107 /nfs/dbraw/zinc/80/01/07/656800107.db2.gz MMQWPIWDEYASHG-UHFFFAOYSA-N 2 1 294.399 -0.438 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001001153883 656800988 /nfs/dbraw/zinc/80/09/88/656800988.db2.gz XYBDTBYRCWCENG-AAEUAGOBSA-N 2 1 294.399 -0.582 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001001153883 656800990 /nfs/dbraw/zinc/80/09/90/656800990.db2.gz XYBDTBYRCWCENG-AAEUAGOBSA-N 2 1 294.399 -0.582 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001001153883 656800992 /nfs/dbraw/zinc/80/09/92/656800992.db2.gz XYBDTBYRCWCENG-AAEUAGOBSA-N 2 1 294.399 -0.582 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001001153883 656800995 /nfs/dbraw/zinc/80/09/95/656800995.db2.gz XYBDTBYRCWCENG-AAEUAGOBSA-N 2 1 294.399 -0.582 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909313730 656806036 /nfs/dbraw/zinc/80/60/36/656806036.db2.gz SZZHESSUYWDRET-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909313730 656806038 /nfs/dbraw/zinc/80/60/38/656806038.db2.gz SZZHESSUYWDRET-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[NH+](C)C1(C(=O)NCC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000909316335 656806361 /nfs/dbraw/zinc/80/63/61/656806361.db2.gz VGXSHNJXMICIKY-UHFFFAOYSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2=CC[NH+](CCO)CC2)C1 ZINC001001463257 656811543 /nfs/dbraw/zinc/81/15/43/656811543.db2.gz RFROCUUCRMRLEL-CQSZACIVSA-N 2 1 297.399 -0.552 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2=CC[NH+](CCO)CC2)C1 ZINC001001463257 656811545 /nfs/dbraw/zinc/81/15/45/656811545.db2.gz RFROCUUCRMRLEL-CQSZACIVSA-N 2 1 297.399 -0.552 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC2=CC[N@H+](CCO)CC2)C1 ZINC001001463257 656811547 /nfs/dbraw/zinc/81/15/47/656811547.db2.gz RFROCUUCRMRLEL-CQSZACIVSA-N 2 1 297.399 -0.552 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC2=CC[N@@H+](CCO)CC2)C1 ZINC001001463257 656811552 /nfs/dbraw/zinc/81/15/52/656811552.db2.gz RFROCUUCRMRLEL-CQSZACIVSA-N 2 1 297.399 -0.552 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](CCO)CC2)O1 ZINC001001533282 656813282 /nfs/dbraw/zinc/81/32/82/656813282.db2.gz PSJFILPOBQMAKG-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](CCO)CC2)O1 ZINC001001533282 656813287 /nfs/dbraw/zinc/81/32/87/656813287.db2.gz PSJFILPOBQMAKG-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001001831989 656821667 /nfs/dbraw/zinc/82/16/67/656821667.db2.gz BTUMFTNVJFWOTH-AAEUAGOBSA-N 2 1 296.415 -0.502 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001002122119 656826647 /nfs/dbraw/zinc/82/66/47/656826647.db2.gz ZJTUMDWWGRCRFJ-GFCCVEGCSA-N 2 1 282.388 -0.748 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC001002127603 656827062 /nfs/dbraw/zinc/82/70/62/656827062.db2.gz TWNIZKFZAWGTEF-ZDUSSCGKSA-N 2 1 269.389 -0.241 20 0 CBADMP C[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002536637 656836471 /nfs/dbraw/zinc/83/64/71/656836471.db2.gz UODATDPLNIKDTD-AAEUAGOBSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002536637 656836472 /nfs/dbraw/zinc/83/64/72/656836472.db2.gz UODATDPLNIKDTD-AAEUAGOBSA-N 2 1 285.388 -0.722 20 0 CBADMP NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002832310 656841677 /nfs/dbraw/zinc/84/16/77/656841677.db2.gz LSMCSVGOLQAVQK-CYBMUJFWSA-N 2 1 294.399 -0.606 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)CC[N@@H+]1C ZINC001002852506 656842972 /nfs/dbraw/zinc/84/29/72/656842972.db2.gz QOIZYODIOIKSGU-ZYHUDNBSSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)CC[N@H+]1C ZINC001002852506 656842976 /nfs/dbraw/zinc/84/29/76/656842976.db2.gz QOIZYODIOIKSGU-ZYHUDNBSSA-N 2 1 282.388 -0.608 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](CCO)CC1 ZINC001003319087 656855292 /nfs/dbraw/zinc/85/52/92/656855292.db2.gz QZPOBNJKHIMUQD-UHFFFAOYSA-N 2 1 266.345 -0.236 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001003483574 656859846 /nfs/dbraw/zinc/85/98/46/656859846.db2.gz TZYIBDJDKZTZCT-AWEZNQCLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001003483574 656859849 /nfs/dbraw/zinc/85/98/49/656859849.db2.gz TZYIBDJDKZTZCT-AWEZNQCLSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCO)CC1 ZINC001003636857 656866021 /nfs/dbraw/zinc/86/60/21/656866021.db2.gz XNWWQBPDEZFVPP-WCQYABFASA-N 2 1 269.389 -0.243 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001004140935 656881462 /nfs/dbraw/zinc/88/14/62/656881462.db2.gz ALZWCQHUXCYWQR-SNVBAGLBSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001004140935 656881464 /nfs/dbraw/zinc/88/14/64/656881464.db2.gz ALZWCQHUXCYWQR-SNVBAGLBSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001004140934 656881772 /nfs/dbraw/zinc/88/17/72/656881772.db2.gz ALZWCQHUXCYWQR-JTQLQIEISA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001004140934 656881775 /nfs/dbraw/zinc/88/17/75/656881775.db2.gz ALZWCQHUXCYWQR-JTQLQIEISA-N 2 1 268.361 -0.996 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004150323 656881889 /nfs/dbraw/zinc/88/18/89/656881889.db2.gz RAXFJIZNDWSXAK-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC001004184052 656882182 /nfs/dbraw/zinc/88/21/82/656882182.db2.gz BXEPALMATYEOGV-JSGCOSHPSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC001004184052 656882185 /nfs/dbraw/zinc/88/21/85/656882185.db2.gz BXEPALMATYEOGV-JSGCOSHPSA-N 2 1 299.415 -0.332 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CCN1CC)[C@H]1CC[N@@H+](C)C1 ZINC000910735901 656887497 /nfs/dbraw/zinc/88/74/97/656887497.db2.gz GWIHLOUZHGBJPL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1CC)[C@H]1CC[N@H+](C)C1 ZINC000910735901 656887501 /nfs/dbraw/zinc/88/75/01/656887501.db2.gz GWIHLOUZHGBJPL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1CC)[C@H]1CC[N@@H+](C)C1 ZINC000910735901 656887504 /nfs/dbraw/zinc/88/75/04/656887504.db2.gz GWIHLOUZHGBJPL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1CC)[C@H]1CC[NH+](C)C1 ZINC000910735901 656887509 /nfs/dbraw/zinc/88/75/09/656887509.db2.gz GWIHLOUZHGBJPL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000910930280 656905619 /nfs/dbraw/zinc/90/56/19/656905619.db2.gz IEHCIJBFJFMJRM-JQWIXIFHSA-N 2 1 255.362 -0.348 20 0 CBADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CC(N)=O)CC1 ZINC001005591874 656915409 /nfs/dbraw/zinc/91/54/09/656915409.db2.gz INPKFVXQSBGGOY-ZDUSSCGKSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CC(N)=O)CC1 ZINC001005591874 656915416 /nfs/dbraw/zinc/91/54/16/656915416.db2.gz INPKFVXQSBGGOY-ZDUSSCGKSA-N 2 1 296.415 -0.121 20 0 CBADMP 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 656928001 /nfs/dbraw/zinc/92/80/01/656928001.db2.gz IXSCHEDDZWFYIR-KIJLLGNVSA-N 2 1 294.399 -0.406 20 0 CBADMP C[N@@H+](CCCCNC(=O)C(=O)NCC1([NH3+])CC1)C1CC1 ZINC000911019494 656932511 /nfs/dbraw/zinc/93/25/11/656932511.db2.gz SXEUZSIMLQBEFD-UHFFFAOYSA-N 2 1 282.388 -0.416 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911030105 656934389 /nfs/dbraw/zinc/93/43/89/656934389.db2.gz QJKPJTBZGVUCNZ-NEPJUHHUSA-N 2 1 296.415 -0.170 20 0 CBADMP CC1(C)CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000911072238 656939256 /nfs/dbraw/zinc/93/92/56/656939256.db2.gz HOUCSAIRBNKHKT-CMPLNLGQSA-N 2 1 294.399 -0.465 20 0 CBADMP 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 656939660 /nfs/dbraw/zinc/93/96/60/656939660.db2.gz JOWCRMSFDBCMEV-VCDKRKBESA-N 2 1 292.383 -0.652 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001006399481 656946179 /nfs/dbraw/zinc/94/61/79/656946179.db2.gz KYDOMCLRVGGFHK-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006399481 656946186 /nfs/dbraw/zinc/94/61/86/656946186.db2.gz KYDOMCLRVGGFHK-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911097436 656946546 /nfs/dbraw/zinc/94/65/46/656946546.db2.gz QCTKLUYERJTKCP-ZYHUDNBSSA-N 2 1 293.371 -0.578 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC[NH+](CCO)CC2)C1 ZINC001006437999 656947182 /nfs/dbraw/zinc/94/71/82/656947182.db2.gz TWWAKDICZHAZMO-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC[NH+](CCO)CC2)C1 ZINC001006437999 656947190 /nfs/dbraw/zinc/94/71/90/656947190.db2.gz TWWAKDICZHAZMO-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911146266 656962600 /nfs/dbraw/zinc/96/26/00/656962600.db2.gz KPLYQPQGKRBALP-ONGXEEELSA-N 2 1 280.372 -0.807 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000911147764 656962696 /nfs/dbraw/zinc/96/26/96/656962696.db2.gz JYODDGWPFAQSSV-YDHLFZDLSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911144705 656964053 /nfs/dbraw/zinc/96/40/53/656964053.db2.gz CXYDVNBEOXTAGB-GVXVVHGQSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911146263 656964096 /nfs/dbraw/zinc/96/40/96/656964096.db2.gz KPLYQPQGKRBALP-GXSJLCMTSA-N 2 1 280.372 -0.807 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000911148333 656964950 /nfs/dbraw/zinc/96/49/50/656964950.db2.gz XCNQRUSZVAXGCK-DDHJBXDOSA-N 2 1 294.399 -0.419 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000911148335 656965544 /nfs/dbraw/zinc/96/55/44/656965544.db2.gz XCNQRUSZVAXGCK-KKOKHZNYSA-N 2 1 294.399 -0.419 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)C1CC1 ZINC000911186742 656975740 /nfs/dbraw/zinc/97/57/40/656975740.db2.gz LSMMPAFSZAODFK-LBPRGKRZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000911187357 656975770 /nfs/dbraw/zinc/97/57/70/656975770.db2.gz OHCKBDQHZPGIEY-ZYHUDNBSSA-N 2 1 282.388 -0.689 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)C1CC1 ZINC000911186740 656976387 /nfs/dbraw/zinc/97/63/87/656976387.db2.gz LSMMPAFSZAODFK-GFCCVEGCSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911188251 656977703 /nfs/dbraw/zinc/97/77/03/656977703.db2.gz SHDFKHRSJOGJKC-SNVBAGLBSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)[N@@H+](C)C1CC1 ZINC000911204424 656985188 /nfs/dbraw/zinc/98/51/88/656985188.db2.gz COGYEQDFEJRYAL-PWSUYJOCSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC000911217368 656988830 /nfs/dbraw/zinc/98/88/30/656988830.db2.gz BGALRUYXKXKOSR-NQBHXWOUSA-N 2 1 294.399 -0.441 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000911268717 657003447 /nfs/dbraw/zinc/00/34/47/657003447.db2.gz FGFZNSHDQWCMAN-LPWJVIDDSA-N 2 1 294.399 -0.547 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000911268658 657003581 /nfs/dbraw/zinc/00/35/81/657003581.db2.gz ZAHSAPRNZBJROC-JMSVASOKSA-N 2 1 294.399 -0.735 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000911269958 657003998 /nfs/dbraw/zinc/00/39/98/657003998.db2.gz DTOFGLSEFQUQFU-ABAIWWIYSA-N 2 1 294.399 -0.735 20 0 CBADMP Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[nH+]c1 ZINC000911275535 657007087 /nfs/dbraw/zinc/00/70/87/657007087.db2.gz XDSQNBJMHAMYIY-NSHDSACASA-N 2 1 291.355 -0.604 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)C[C@]2(C)C1 ZINC000911280979 657008673 /nfs/dbraw/zinc/00/86/73/657008673.db2.gz CHAMRIDOGPZLDY-JMSVASOKSA-N 2 1 294.399 -0.735 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000911282185 657008896 /nfs/dbraw/zinc/00/88/96/657008896.db2.gz NOLNPAJCUJSMAC-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000911282185 657008901 /nfs/dbraw/zinc/00/89/01/657008901.db2.gz NOLNPAJCUJSMAC-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911296260 657013450 /nfs/dbraw/zinc/01/34/50/657013450.db2.gz KXKPBKKKBZSZLU-JTQLQIEISA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911296702 657013992 /nfs/dbraw/zinc/01/39/92/657013992.db2.gz ZUOSUPCKPXDNNP-LLVKDONJSA-N 2 1 284.404 -0.455 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000911336810 657022344 /nfs/dbraw/zinc/02/23/44/657022344.db2.gz NVQJXNYLAWCCCC-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911338298 657022612 /nfs/dbraw/zinc/02/26/12/657022612.db2.gz IXDWIYKJWOTRIV-COPLHBTASA-N 2 1 282.388 -0.879 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000911338093 657022848 /nfs/dbraw/zinc/02/28/48/657022848.db2.gz XTBDIICQPRWXJC-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911337340 657023017 /nfs/dbraw/zinc/02/30/17/657023017.db2.gz RCBILZITSGNKSP-MROQNXINSA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000911365134 657027794 /nfs/dbraw/zinc/02/77/94/657027794.db2.gz BUISMGMEMZESPA-IJLUTSLNSA-N 2 1 282.388 -0.737 20 0 CBADMP 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 657029030 /nfs/dbraw/zinc/02/90/30/657029030.db2.gz LFOICIHBLWUYMY-YVECIDJPSA-N 2 1 296.415 -0.348 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000911373867 657029764 /nfs/dbraw/zinc/02/97/64/657029764.db2.gz BOIOFKZIUQQOHW-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911373853 657030198 /nfs/dbraw/zinc/03/01/98/657030198.db2.gz BERLVBWQJXRYBE-JHJVBQTASA-N 2 1 296.415 -0.348 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000911382489 657033073 /nfs/dbraw/zinc/03/30/73/657033073.db2.gz MWTRPRCHCKQZQS-WOPDTQHZSA-N 2 1 282.388 -0.832 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000911382742 657033142 /nfs/dbraw/zinc/03/31/42/657033142.db2.gz OJPVDCWYZMBTKS-AGIUHOORSA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001008278248 657036200 /nfs/dbraw/zinc/03/62/00/657036200.db2.gz BZAWTKNMVYJBPQ-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001008278248 657036204 /nfs/dbraw/zinc/03/62/04/657036204.db2.gz BZAWTKNMVYJBPQ-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001008278248 657036207 /nfs/dbraw/zinc/03/62/07/657036207.db2.gz BZAWTKNMVYJBPQ-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001008278248 657036213 /nfs/dbraw/zinc/03/62/13/657036213.db2.gz BZAWTKNMVYJBPQ-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000911493007 657055498 /nfs/dbraw/zinc/05/54/98/657055498.db2.gz IYTZVNRVFPUNQX-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503179 657057536 /nfs/dbraw/zinc/05/75/36/657057536.db2.gz MLRKPPHCIQIQIM-RYUDHWBXSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)C[C@H]1C ZINC000911506332 657060675 /nfs/dbraw/zinc/06/06/75/657060675.db2.gz ZQDRYWMPIOZSCZ-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000911531313 657068462 /nfs/dbraw/zinc/06/84/62/657068462.db2.gz GYPHICIGGIVCDL-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1(C)C ZINC000911535347 657069837 /nfs/dbraw/zinc/06/98/37/657069837.db2.gz QFVGSSKFNZVVEI-NSHDSACASA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1(C)C ZINC000911535347 657069845 /nfs/dbraw/zinc/06/98/45/657069845.db2.gz QFVGSSKFNZVVEI-NSHDSACASA-N 2 1 296.415 -0.347 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911533045 657070104 /nfs/dbraw/zinc/07/01/04/657070104.db2.gz MQPNIRDUUMVCQD-UHFFFAOYSA-N 2 1 284.404 -0.358 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911531990 657070303 /nfs/dbraw/zinc/07/03/03/657070303.db2.gz IFUMAPWVMICVJQ-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911536802 657071435 /nfs/dbraw/zinc/07/14/35/657071435.db2.gz BHKCJGJSHZKGCX-WUHRBBMRSA-N 2 1 294.399 -0.404 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1(C)C ZINC000911546381 657075031 /nfs/dbraw/zinc/07/50/31/657075031.db2.gz QNIJRRQCVUGASZ-QJPTWQEYSA-N 2 1 294.399 -0.452 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1(C)C ZINC000911546381 657075038 /nfs/dbraw/zinc/07/50/38/657075038.db2.gz QNIJRRQCVUGASZ-QJPTWQEYSA-N 2 1 294.399 -0.452 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911557564 657076838 /nfs/dbraw/zinc/07/68/38/657076838.db2.gz OSCKUIUTTJGXSK-HAQNSBGRSA-N 2 1 282.388 -0.606 20 0 CBADMP [NH3+]Cc1ncc(C(=O)NCCCN2CC[NH2+]CC2)s1 ZINC000911629126 657088431 /nfs/dbraw/zinc/08/84/31/657088431.db2.gz FMWAIINWGGKKPH-UHFFFAOYSA-N 2 1 283.401 -0.373 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])CC2 ZINC000911875209 657152946 /nfs/dbraw/zinc/15/29/46/657152946.db2.gz LQWKAGHYDKTTAD-OCCSQVGLSA-N 2 1 291.399 -0.145 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCO)C1 ZINC001010383340 657172416 /nfs/dbraw/zinc/17/24/16/657172416.db2.gz UUUVNYMQOCRMBZ-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001010383340 657172424 /nfs/dbraw/zinc/17/24/24/657172424.db2.gz UUUVNYMQOCRMBZ-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001010383340 657172431 /nfs/dbraw/zinc/17/24/31/657172431.db2.gz UUUVNYMQOCRMBZ-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCC(N)=O ZINC000912303967 657228272 /nfs/dbraw/zinc/22/82/72/657228272.db2.gz NNJXLOZHBRCEKL-NSHDSACASA-N 2 1 272.393 -0.360 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCC(N)=O ZINC000912303967 657228281 /nfs/dbraw/zinc/22/82/81/657228281.db2.gz NNJXLOZHBRCEKL-NSHDSACASA-N 2 1 272.393 -0.360 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000912607135 657296335 /nfs/dbraw/zinc/29/63/35/657296335.db2.gz BVWCWTADCVRSPK-GFCCVEGCSA-N 2 1 289.445 -0.194 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000912607135 657296338 /nfs/dbraw/zinc/29/63/38/657296338.db2.gz BVWCWTADCVRSPK-GFCCVEGCSA-N 2 1 289.445 -0.194 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000912607135 657296342 /nfs/dbraw/zinc/29/63/42/657296342.db2.gz BVWCWTADCVRSPK-GFCCVEGCSA-N 2 1 289.445 -0.194 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1CCCC[NH+]1C ZINC000912606629 657296695 /nfs/dbraw/zinc/29/66/95/657296695.db2.gz UTRPXKXWTCYPQX-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000912606629 657296699 /nfs/dbraw/zinc/29/66/99/657296699.db2.gz UTRPXKXWTCYPQX-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000912606629 657296703 /nfs/dbraw/zinc/29/67/03/657296703.db2.gz UTRPXKXWTCYPQX-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[NH+]1CCN(CC(=O)N(C)CC[N@@H+](C)CCO)CC1 ZINC000912606842 657296854 /nfs/dbraw/zinc/29/68/54/657296854.db2.gz YPHXFAMZYYQHIE-UHFFFAOYSA-N 2 1 286.420 -0.994 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C)C[C@H]2CO)CC[N@H+]1C ZINC000912735630 657317871 /nfs/dbraw/zinc/31/78/71/657317871.db2.gz CBBCIPVOYYXNOA-RWMBFGLXSA-N 2 1 269.389 -0.148 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)C[C@H]2CO)CC[N@@H+]1C ZINC000912735630 657317879 /nfs/dbraw/zinc/31/78/79/657317879.db2.gz CBBCIPVOYYXNOA-RWMBFGLXSA-N 2 1 269.389 -0.148 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)C[C@H]2CO)CC[N@H+]1C ZINC000912735630 657317881 /nfs/dbraw/zinc/31/78/81/657317881.db2.gz CBBCIPVOYYXNOA-RWMBFGLXSA-N 2 1 269.389 -0.148 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2CO)CC[NH+]1C ZINC000912735630 657317888 /nfs/dbraw/zinc/31/78/88/657317888.db2.gz CBBCIPVOYYXNOA-RWMBFGLXSA-N 2 1 269.389 -0.148 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2CO)CC[NH+]1C ZINC000912735630 657317894 /nfs/dbraw/zinc/31/78/94/657317894.db2.gz CBBCIPVOYYXNOA-RWMBFGLXSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)C[C@H]2CO)CC[N@@H+]1C ZINC000912736123 657318946 /nfs/dbraw/zinc/31/89/46/657318946.db2.gz NVEYLSXEYZANIN-GRYCIOLGSA-N 2 1 255.362 -0.539 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)C[C@H]2CO)CC[N@H+]1C ZINC000912736123 657318952 /nfs/dbraw/zinc/31/89/52/657318952.db2.gz NVEYLSXEYZANIN-GRYCIOLGSA-N 2 1 255.362 -0.539 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[N@H+](C)C[C@H]2CO)CC[NH+]1C ZINC000912736123 657318960 /nfs/dbraw/zinc/31/89/60/657318960.db2.gz NVEYLSXEYZANIN-GRYCIOLGSA-N 2 1 255.362 -0.539 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2CO)CC[NH+]1C ZINC000912736123 657318967 /nfs/dbraw/zinc/31/89/67/657318967.db2.gz NVEYLSXEYZANIN-GRYCIOLGSA-N 2 1 255.362 -0.539 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912904233 657357373 /nfs/dbraw/zinc/35/73/73/657357373.db2.gz SJWNFLBULVDAOI-SCRDCRAPSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001014476157 657362649 /nfs/dbraw/zinc/36/26/49/657362649.db2.gz OYTBJCBOCXSGLO-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N(C)C)C2)CC[N@H+]1C ZINC001014476157 657362654 /nfs/dbraw/zinc/36/26/54/657362654.db2.gz OYTBJCBOCXSGLO-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C2)CC[NH+]1C ZINC001014476157 657362660 /nfs/dbraw/zinc/36/26/60/657362660.db2.gz OYTBJCBOCXSGLO-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)CC[NH+]1C ZINC001014476157 657362666 /nfs/dbraw/zinc/36/26/66/657362666.db2.gz OYTBJCBOCXSGLO-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001014722344 657379438 /nfs/dbraw/zinc/37/94/38/657379438.db2.gz MFZWHKWKAOFHSG-NWDGAFQWSA-N 2 1 278.356 -0.057 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCO)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001014722344 657379445 /nfs/dbraw/zinc/37/94/45/657379445.db2.gz MFZWHKWKAOFHSG-NWDGAFQWSA-N 2 1 278.356 -0.057 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)C12CCC[NH+](CCC1)C2 ZINC000913178481 657394242 /nfs/dbraw/zinc/39/42/42/657394242.db2.gz GMMCAGMWWVEOHK-HNNXBMFYSA-N 2 1 297.399 -0.671 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000913178994 657394545 /nfs/dbraw/zinc/39/45/45/657394545.db2.gz LLQYNEZETUZHSI-NFAWXSAZSA-N 2 1 297.399 -0.530 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000913178994 657394549 /nfs/dbraw/zinc/39/45/49/657394549.db2.gz LLQYNEZETUZHSI-NFAWXSAZSA-N 2 1 297.399 -0.530 20 0 CBADMP CC[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)[NH+](CC)CC ZINC000913189215 657416012 /nfs/dbraw/zinc/41/60/12/657416012.db2.gz SDNNSOYAXOPCRK-TZMCWYRMSA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)[NH+]1CCCCCC1 ZINC000913189378 657416701 /nfs/dbraw/zinc/41/67/01/657416701.db2.gz VQSHKWUSSQSDJD-UKRRQHHQSA-N 2 1 299.415 -0.282 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001015290443 657429241 /nfs/dbraw/zinc/42/92/41/657429241.db2.gz OHIWDGYURBXEQW-NSHDSACASA-N 2 1 252.318 -0.626 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001015290443 657429260 /nfs/dbraw/zinc/42/92/60/657429260.db2.gz OHIWDGYURBXEQW-NSHDSACASA-N 2 1 252.318 -0.626 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001015322551 657431433 /nfs/dbraw/zinc/43/14/33/657431433.db2.gz CRIGDYYAARQIJZ-DNCHLWJUSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(N[C@@H]1CC[NH+](CCO)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001015322551 657431452 /nfs/dbraw/zinc/43/14/52/657431452.db2.gz CRIGDYYAARQIJZ-DNCHLWJUSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(N[C@@H]1CC[NH+](CCO)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001015322551 657431470 /nfs/dbraw/zinc/43/14/70/657431470.db2.gz CRIGDYYAARQIJZ-DNCHLWJUSA-N 2 1 295.383 -0.968 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001015599580 657473692 /nfs/dbraw/zinc/47/36/92/657473692.db2.gz QZRZDKSTDMDIGA-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001015599580 657473705 /nfs/dbraw/zinc/47/37/05/657473705.db2.gz QZRZDKSTDMDIGA-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001015599580 657473715 /nfs/dbraw/zinc/47/37/15/657473715.db2.gz QZRZDKSTDMDIGA-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001015599580 657473721 /nfs/dbraw/zinc/47/37/21/657473721.db2.gz QZRZDKSTDMDIGA-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015654536 657504705 /nfs/dbraw/zinc/50/47/05/657504705.db2.gz YVQJSLWBCCWULP-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015654534 657504923 /nfs/dbraw/zinc/50/49/23/657504923.db2.gz YVQJSLWBCCWULP-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015650999 657506200 /nfs/dbraw/zinc/50/62/00/657506200.db2.gz AHJYYCAQULWWEL-JQWIXIFHSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015650999 657506208 /nfs/dbraw/zinc/50/62/08/657506208.db2.gz AHJYYCAQULWWEL-JQWIXIFHSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001015705086 657523592 /nfs/dbraw/zinc/52/35/92/657523592.db2.gz HTVMGUMVEPIJGZ-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001015705086 657523597 /nfs/dbraw/zinc/52/35/97/657523597.db2.gz HTVMGUMVEPIJGZ-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001015705086 657523600 /nfs/dbraw/zinc/52/36/00/657523600.db2.gz HTVMGUMVEPIJGZ-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC23CC[NH+](CC2)C3)CC1 ZINC000913631451 657571726 /nfs/dbraw/zinc/57/17/26/657571726.db2.gz WIKLBNDQIWKDIB-UHFFFAOYSA-N 2 1 280.416 -0.022 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000913759588 657603201 /nfs/dbraw/zinc/60/32/01/657603201.db2.gz QHPWTGFPTKIBRF-CXTNEJHOSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)CC[C@@H]21 ZINC000913759588 657603214 /nfs/dbraw/zinc/60/32/14/657603214.db2.gz QHPWTGFPTKIBRF-CXTNEJHOSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)CC[C@@H]21 ZINC000913759588 657603221 /nfs/dbraw/zinc/60/32/21/657603221.db2.gz QHPWTGFPTKIBRF-CXTNEJHOSA-N 2 1 281.400 -0.006 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001015997669 657628248 /nfs/dbraw/zinc/62/82/48/657628248.db2.gz FRXVQVASELTKPX-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@H+](CCO)C2)C1 ZINC001015997669 657628261 /nfs/dbraw/zinc/62/82/61/657628261.db2.gz FRXVQVASELTKPX-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001015997669 657628268 /nfs/dbraw/zinc/62/82/68/657628268.db2.gz FRXVQVASELTKPX-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCCO)C1 ZINC001016263227 657674899 /nfs/dbraw/zinc/67/48/99/657674899.db2.gz WJCRXVVOYLPKGE-LBPRGKRZSA-N 2 1 255.362 -0.345 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001016543375 657717595 /nfs/dbraw/zinc/71/75/95/657717595.db2.gz PDVPHEXHVJIIQT-NEPJUHHUSA-N 2 1 294.399 -0.463 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC23CC[NH+](CCO)CC3)C1 ZINC001016968820 657743917 /nfs/dbraw/zinc/74/39/17/657743917.db2.gz HSISBEPJELFIPK-QWHCGFSZSA-N 2 1 281.400 -0.099 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000916332814 657771027 /nfs/dbraw/zinc/77/10/27/657771027.db2.gz ZKIGGXVOFBWXDG-VXGBXAGGSA-N 2 1 272.393 -0.044 20 0 CBADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000916332814 657771039 /nfs/dbraw/zinc/77/10/39/657771039.db2.gz ZKIGGXVOFBWXDG-VXGBXAGGSA-N 2 1 272.393 -0.044 20 0 CBADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000916332814 657771054 /nfs/dbraw/zinc/77/10/54/657771054.db2.gz ZKIGGXVOFBWXDG-VXGBXAGGSA-N 2 1 272.393 -0.044 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1([NH+](C)C)CC1 ZINC000917959634 657822573 /nfs/dbraw/zinc/82/25/73/657822573.db2.gz IIXOWOFQRIQFQC-GFCCVEGCSA-N 2 1 283.420 -0.374 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001018626702 657827507 /nfs/dbraw/zinc/82/75/07/657827507.db2.gz BFKSMUKNHWTEAL-RYUDHWBXSA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001018626702 657827508 /nfs/dbraw/zinc/82/75/08/657827508.db2.gz BFKSMUKNHWTEAL-RYUDHWBXSA-N 2 1 292.387 -0.400 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001018629021 657828664 /nfs/dbraw/zinc/82/86/64/657828664.db2.gz XMOJCXGVLXEDRB-QWHCGFSZSA-N 2 1 294.399 -0.497 20 0 CBADMP CC(C)[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001018664596 657836455 /nfs/dbraw/zinc/83/64/55/657836455.db2.gz GDZIYWKOCGVBNN-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001018664596 657836457 /nfs/dbraw/zinc/83/64/57/657836457.db2.gz GDZIYWKOCGVBNN-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)CC[N@H+]1C ZINC001018867132 657850965 /nfs/dbraw/zinc/85/09/65/657850965.db2.gz HZWBODGWRQKHDB-GRYCIOLGSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001019258676 657877070 /nfs/dbraw/zinc/87/70/70/657877070.db2.gz MDACAZGGPPBLMV-WOPDTQHZSA-N 2 1 282.388 -0.465 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019285737 657880145 /nfs/dbraw/zinc/88/01/45/657880145.db2.gz WILFOCYKBUHHLX-STQMWFEESA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019285737 657880146 /nfs/dbraw/zinc/88/01/46/657880146.db2.gz WILFOCYKBUHHLX-STQMWFEESA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCF)C2)C1 ZINC001019800369 657943357 /nfs/dbraw/zinc/94/33/57/657943357.db2.gz HHMKUEHKHBRCOS-NWDGAFQWSA-N 2 1 273.352 -0.133 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCF)C2)C1 ZINC001019800369 657943367 /nfs/dbraw/zinc/94/33/67/657943367.db2.gz HHMKUEHKHBRCOS-NWDGAFQWSA-N 2 1 273.352 -0.133 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001020029221 657990835 /nfs/dbraw/zinc/99/08/35/657990835.db2.gz YIASNRMYFQTLLX-BJDJZHNGSA-N 2 1 255.362 -0.302 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001020028907 657991413 /nfs/dbraw/zinc/99/14/13/657991413.db2.gz NVQHFIYDRUVWJG-GWOFURMSSA-N 2 1 268.361 -0.809 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCOC3)C2)C1 ZINC001020046009 657996973 /nfs/dbraw/zinc/99/69/73/657996973.db2.gz RHBQQPNASNDPMM-SYQHCUMBSA-N 2 1 297.399 -0.410 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCOC3)C2)C1 ZINC001020046009 657996990 /nfs/dbraw/zinc/99/69/90/657996990.db2.gz RHBQQPNASNDPMM-SYQHCUMBSA-N 2 1 297.399 -0.410 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000922164564 658014531 /nfs/dbraw/zinc/01/45/31/658014531.db2.gz WDXBNQQWAGSTSC-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP 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 658022512 /nfs/dbraw/zinc/02/25/12/658022512.db2.gz RLFCDRZKYGTHGM-LZQZFOIKSA-N 2 1 282.388 -0.563 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001020214420 658028471 /nfs/dbraw/zinc/02/84/71/658028471.db2.gz SNNYANZNADZLNS-ZDEQEGDKSA-N 2 1 296.415 -0.029 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020301116 658034791 /nfs/dbraw/zinc/03/47/91/658034791.db2.gz PQZHVYBWOURILT-CYDGBPFRSA-N 2 1 294.399 -0.404 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020301119 658036043 /nfs/dbraw/zinc/03/60/43/658036043.db2.gz PQZHVYBWOURILT-ZDEQEGDKSA-N 2 1 294.399 -0.404 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020397993 658046667 /nfs/dbraw/zinc/04/66/67/658046667.db2.gz MXCJWVUEHLTQRN-XYPYZODXSA-N 2 1 252.318 -0.579 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020586420 658075542 /nfs/dbraw/zinc/07/55/42/658075542.db2.gz NYHUSIFMLVDZPA-GMTAPVOTSA-N 2 1 268.361 -0.807 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020590304 658075976 /nfs/dbraw/zinc/07/59/76/658075976.db2.gz RRFGRQKQTAFYMZ-BJDJZHNGSA-N 2 1 255.362 -0.587 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001020590099 658076146 /nfs/dbraw/zinc/07/61/46/658076146.db2.gz MBXMKESTYLXVPD-CYDGBPFRSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001020589141 658076528 /nfs/dbraw/zinc/07/65/28/658076528.db2.gz XTMUOYFIAFKVPT-ZDEQEGDKSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001020589073 658077050 /nfs/dbraw/zinc/07/70/50/658077050.db2.gz WFBQWJIXQBHJQS-USZNOCQGSA-N 2 1 282.388 -0.561 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001020927674 658113386 /nfs/dbraw/zinc/11/33/86/658113386.db2.gz OBJMAIPRRJPRPR-FDYHWXHSSA-N 2 1 294.399 -0.547 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001020928338 658119862 /nfs/dbraw/zinc/11/98/62/658119862.db2.gz CMZLSADQFOBLER-FDYHWXHSSA-N 2 1 296.415 -0.171 20 0 CBADMP C[NH+](C)C1(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000922986163 658119986 /nfs/dbraw/zinc/11/99/86/658119986.db2.gz CWRRCZGVTFSGJQ-GFCCVEGCSA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+](C)C1(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000922986163 658120013 /nfs/dbraw/zinc/12/00/13/658120013.db2.gz CWRRCZGVTFSGJQ-GFCCVEGCSA-N 2 1 282.388 -0.459 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001021043564 658135480 /nfs/dbraw/zinc/13/54/80/658135480.db2.gz CGLUCNZFXSIBJV-GWOFURMSSA-N 2 1 268.361 -0.951 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001021044768 658137751 /nfs/dbraw/zinc/13/77/51/658137751.db2.gz SZASUUBNTYJYKE-FIQHERPVSA-N 2 1 282.388 -0.561 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1)C(N)=O ZINC001021053169 658139303 /nfs/dbraw/zinc/13/93/03/658139303.db2.gz KJIOWRJVIWRYHO-IJLUTSLNSA-N 2 1 293.371 -0.308 20 0 CBADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000923282498 658189071 /nfs/dbraw/zinc/18/90/71/658189071.db2.gz UXVFFVFHWVKPDB-RWMBFGLXSA-N 2 1 258.362 -0.177 20 0 CBADMP CCOCCOCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000923281764 658190308 /nfs/dbraw/zinc/19/03/08/658190308.db2.gz PGDNMWMJUMDCPZ-ZDUSSCGKSA-N 2 1 287.404 -0.174 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923280638 658191470 /nfs/dbraw/zinc/19/14/70/658191470.db2.gz IJMKSVDOMCJDSF-LBPRGKRZSA-N 3 1 268.405 -0.085 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923280638 658191491 /nfs/dbraw/zinc/19/14/91/658191491.db2.gz IJMKSVDOMCJDSF-LBPRGKRZSA-N 2 1 268.405 -0.085 20 0 CBADMP CCOC[C@@H](O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283949 658192045 /nfs/dbraw/zinc/19/20/45/658192045.db2.gz ZPNXPXOORKFDMM-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP CC(C)OCC[C@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000923286237 658195466 /nfs/dbraw/zinc/19/54/66/658195466.db2.gz LPCMYGQVYHLOGS-AWEZNQCLSA-N 2 1 273.421 -0.001 20 0 CBADMP CC(=O)N[C@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923302770 658197940 /nfs/dbraw/zinc/19/79/40/658197940.db2.gz CPBMKXBIKWDZKV-QWHCGFSZSA-N 2 1 267.373 -0.035 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923298851 658198293 /nfs/dbraw/zinc/19/82/93/658198293.db2.gz GGJWKRYPOPFYHJ-QWHCGFSZSA-N 2 1 261.410 -0.112 20 0 CBADMP CNC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303454 658199792 /nfs/dbraw/zinc/19/97/92/658199792.db2.gz NFOOXKWWDGYYJK-NWDGAFQWSA-N 2 1 267.373 -0.035 20 0 CBADMP CC(C)NC(=O)C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301647 658200606 /nfs/dbraw/zinc/20/06/06/658200606.db2.gz JJICUWMWOORBLT-LLVKDONJSA-N 2 1 255.362 -0.179 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301647 658200614 /nfs/dbraw/zinc/20/06/14/658200614.db2.gz JJICUWMWOORBLT-LLVKDONJSA-N 2 1 255.362 -0.179 20 0 CBADMP CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923311494 658201878 /nfs/dbraw/zinc/20/18/78/658201878.db2.gz NXKLZUOVHKQVOQ-NEPJUHHUSA-N 2 1 267.373 -0.179 20 0 CBADMP CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923311494 658201916 /nfs/dbraw/zinc/20/19/16/658201916.db2.gz NXKLZUOVHKQVOQ-NEPJUHHUSA-N 2 1 267.373 -0.179 20 0 CBADMP CCC[N@H+](CC(=O)NC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923310127 658203324 /nfs/dbraw/zinc/20/33/24/658203324.db2.gz RVVMIHCCHQPWIX-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP CC(C)OCCOC[C@@H](O)C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923308482 658203481 /nfs/dbraw/zinc/20/34/81/658203481.db2.gz JUTSGFQJACVGDU-XUXIUFHCSA-N 2 1 290.404 -0.429 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C ZINC000923322374 658212130 /nfs/dbraw/zinc/21/21/30/658212130.db2.gz KRGJGRANZFEFDV-IHRRRGAJSA-N 2 1 283.416 -0.248 20 0 CBADMP C[C@H](O)CN1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C ZINC000923322374 658212168 /nfs/dbraw/zinc/21/21/68/658212168.db2.gz KRGJGRANZFEFDV-IHRRRGAJSA-N 2 1 283.416 -0.248 20 0 CBADMP C[C@H](O)CN1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C ZINC000923322374 658212192 /nfs/dbraw/zinc/21/21/92/658212192.db2.gz KRGJGRANZFEFDV-IHRRRGAJSA-N 2 1 283.416 -0.248 20 0 CBADMP c1cnn(C[C@@H]2C[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CCO2)c1 ZINC000923323026 658212511 /nfs/dbraw/zinc/21/25/11/658212511.db2.gz OYKWDKIBDPZPFW-KGLIPLIRSA-N 2 1 292.383 -0.038 20 0 CBADMP c1cnn(C[C@@H]2C[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CCO2)c1 ZINC000923323026 658212524 /nfs/dbraw/zinc/21/25/24/658212524.db2.gz OYKWDKIBDPZPFW-KGLIPLIRSA-N 2 1 292.383 -0.038 20 0 CBADMP CCC[C@H]1C[NH2+]CCN1C[C@H](O)C[N@@H+](C)CCOC ZINC000923330409 658214288 /nfs/dbraw/zinc/21/42/88/658214288.db2.gz DWBVVLJGTHLBMR-UONOGXRCSA-N 2 1 273.421 -0.001 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923328748 658216585 /nfs/dbraw/zinc/21/65/85/658216585.db2.gz CETSYZCBGMKNCA-ZIAGYGMSSA-N 2 1 271.405 -0.248 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000923331387 658218187 /nfs/dbraw/zinc/21/81/87/658218187.db2.gz GIAFYNZVGNJQEQ-SDDRHHMPSA-N 2 1 280.372 -0.060 20 0 CBADMP CN1CC(=O)N(CC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)C1=O ZINC000923335913 658219970 /nfs/dbraw/zinc/21/99/70/658219970.db2.gz SBMHTTXQWGLBLV-LLVKDONJSA-N 2 1 268.361 -0.046 20 0 CBADMP O[C@@H](Cn1cccn1)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923359007 658227642 /nfs/dbraw/zinc/22/76/42/658227642.db2.gz NVMRXHCORWOFSW-YNEHKIRRSA-N 2 1 250.346 -0.072 20 0 CBADMP C[N@@H+](C[C@@H](O)COC1CCOCC1)C1CC([NH3+])C1 ZINC000923360524 658227903 /nfs/dbraw/zinc/22/79/03/658227903.db2.gz CETHJSDXNWQWNM-HTAVTVPLSA-N 2 1 258.362 -0.036 20 0 CBADMP CN1CC(=O)N(CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000923365297 658235965 /nfs/dbraw/zinc/23/59/65/658235965.db2.gz DUOWUDVHGIHDFT-CQSZACIVSA-N 2 1 280.372 -0.044 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000923365297 658235986 /nfs/dbraw/zinc/23/59/86/658235986.db2.gz DUOWUDVHGIHDFT-CQSZACIVSA-N 2 1 280.372 -0.044 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H](C)O1 ZINC000923388612 658251038 /nfs/dbraw/zinc/25/10/38/658251038.db2.gz SNYIQMQXRWLRMI-SRVKXCTJSA-N 2 1 284.356 -0.373 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H](C)O1 ZINC000923388612 658251060 /nfs/dbraw/zinc/25/10/60/658251060.db2.gz SNYIQMQXRWLRMI-SRVKXCTJSA-N 2 1 284.356 -0.373 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@H]1CC[NH2+]C12CCC2 ZINC000923399386 658253042 /nfs/dbraw/zinc/25/30/42/658253042.db2.gz PCFXOSJJSJSYRX-OLZOCXBDSA-N 2 1 271.405 -0.200 20 0 CBADMP O=C1OCCN1[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923392404 658255157 /nfs/dbraw/zinc/25/51/57/658255157.db2.gz RIPIOIYHROMDIA-VXGBXAGGSA-N 2 1 281.356 -0.109 20 0 CBADMP CNC(=O)[C@]1(COC)CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923395323 658255290 /nfs/dbraw/zinc/25/52/90/658255290.db2.gz RNGXKDLMYVWBRC-SWLSCSKDSA-N 2 1 297.399 -0.408 20 0 CBADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000923401298 658257593 /nfs/dbraw/zinc/25/75/93/658257593.db2.gz URPFATJIIXQTRJ-AXFHLTTASA-N 2 1 253.346 -0.439 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CCC[C@H]([NH2+]CCO)C2)CC1 ZINC000923407508 658265431 /nfs/dbraw/zinc/26/54/31/658265431.db2.gz YOOXFENLWCKEDT-AWEZNQCLSA-N 2 1 298.431 -0.803 20 0 CBADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC000923428755 658273317 /nfs/dbraw/zinc/27/33/17/658273317.db2.gz ZFVSNYAIVYGZPA-RWMBFGLXSA-N 2 1 250.346 -0.215 20 0 CBADMP CCOC[C@H](O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923427180 658273620 /nfs/dbraw/zinc/27/36/20/658273620.db2.gz ACEQWVGTDSAHJJ-SFTQSGBHSA-N 2 1 286.372 -0.404 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)C[C@H]1CC[NH3+] ZINC000923428163 658274778 /nfs/dbraw/zinc/27/47/78/658274778.db2.gz GJMWHVHLBMCBCN-GHMZBOCLSA-N 2 1 268.361 -0.203 20 0 CBADMP CC(C)CNC(=O)NC(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462840 658291400 /nfs/dbraw/zinc/29/14/00/658291400.db2.gz BIQBBQGEJZATIB-LBPRGKRZSA-N 2 1 299.419 -0.649 20 0 CBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)Nc1ccc(O)cc1 ZINC000923463385 658292136 /nfs/dbraw/zinc/29/21/36/658292136.db2.gz GKSLICZMJMKRBK-UHFFFAOYSA-N 2 1 278.356 -0.175 20 0 CBADMP C[C@@H](C(=O)N1CCCCC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923459647 658293476 /nfs/dbraw/zinc/29/34/76/658293476.db2.gz JVWZWJACFGAPQK-ZDUSSCGKSA-N 2 1 268.405 -0.118 20 0 CBADMP CC(C)N1CCC[C@@H](N2CC[NH2+]CC[NH2+]CC2)C1=O ZINC000923462550 658293604 /nfs/dbraw/zinc/29/36/04/658293604.db2.gz KPHKYLWQRZAOJM-CYBMUJFWSA-N 2 1 268.405 -0.119 20 0 CBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCc1ccccc1 ZINC000923466389 658297477 /nfs/dbraw/zinc/29/74/77/658297477.db2.gz XQQHKOZUPGQXFX-UHFFFAOYSA-N 2 1 276.384 -0.202 20 0 CBADMP CCN(CC)C(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465178 658298412 /nfs/dbraw/zinc/29/84/12/658298412.db2.gz WINPFIFDJQFQST-GFCCVEGCSA-N 2 1 256.394 -0.262 20 0 CBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCC(F)(F)F ZINC000923465868 658298511 /nfs/dbraw/zinc/29/85/11/658298511.db2.gz FIRLPPFKTFZKMS-UHFFFAOYSA-N 2 1 268.283 -0.840 20 0 CBADMP COCCCNC(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923463850 658299277 /nfs/dbraw/zinc/29/92/77/658299277.db2.gz HOHCAARGBNPJJQ-LBPRGKRZSA-N 2 1 272.393 -0.978 20 0 CBADMP CC[C@@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923464329 658299322 /nfs/dbraw/zinc/29/93/22/658299322.db2.gz MYQHZCUTRNZBMM-NEPJUHHUSA-N 2 1 256.394 -0.216 20 0 CBADMP C[C@@H]1C[N@H+](CCN2CCC[C@]([NH3+])(CO)C2)CCO1 ZINC000923475172 658300562 /nfs/dbraw/zinc/30/05/62/658300562.db2.gz OCYANURGIUQDIU-CHWSQXEVSA-N 2 1 257.378 -0.507 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2CCC[C@]([NH3+])(CO)C2)CCO1 ZINC000923475172 658300579 /nfs/dbraw/zinc/30/05/79/658300579.db2.gz OCYANURGIUQDIU-CHWSQXEVSA-N 2 1 257.378 -0.507 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)N1CCC[C@]([NH3+])(CO)C1 ZINC000923474379 658300834 /nfs/dbraw/zinc/30/08/34/658300834.db2.gz HESSOWGRHPZXFH-QWHCGFSZSA-N 2 1 257.378 -0.507 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000923479340 658302481 /nfs/dbraw/zinc/30/24/81/658302481.db2.gz WHKROVYZWYHIAR-UKRRQHHQSA-N 2 1 298.431 -0.675 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923482291 658303389 /nfs/dbraw/zinc/30/33/89/658303389.db2.gz YGNCOEYFXMMMDC-VXGBXAGGSA-N 2 1 283.372 -0.179 20 0 CBADMP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498684 658306280 /nfs/dbraw/zinc/30/62/80/658306280.db2.gz JBJUPRDMGFCQOL-OLZOCXBDSA-N 2 1 298.431 -0.112 20 0 CBADMP C[C@H]1C[N@H+](Cc2nc(N)nc(N(C)C)n2)CC[C@@H]1C[NH3+] ZINC000923496190 658306405 /nfs/dbraw/zinc/30/64/05/658306405.db2.gz GNXRCNULPFDWCA-VHSXEESVSA-N 2 1 279.392 -0.064 20 0 CBADMP C[C@H]1C[N@@H+](Cc2nc(N)nc(N(C)C)n2)CC[C@@H]1C[NH3+] ZINC000923496190 658306419 /nfs/dbraw/zinc/30/64/19/658306419.db2.gz GNXRCNULPFDWCA-VHSXEESVSA-N 2 1 279.392 -0.064 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500595 658309574 /nfs/dbraw/zinc/30/95/74/658309574.db2.gz WCWBBHPVMHKWMS-MNOVXSKESA-N 2 1 271.361 -0.418 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923503462 658309616 /nfs/dbraw/zinc/30/96/16/658309616.db2.gz IUWCJDSCKHZBIO-JSGCOSHPSA-N 2 1 296.415 -0.406 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515961 658313140 /nfs/dbraw/zinc/31/31/40/658313140.db2.gz PATJJKKVENYBTK-YNEHKIRRSA-N 2 1 258.362 -0.448 20 0 CBADMP O=S1(=O)NC[C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCN21 ZINC000923550412 658318196 /nfs/dbraw/zinc/31/81/96/658318196.db2.gz XMLUHYUBMBRGAZ-NEPJUHHUSA-N 2 1 288.417 -0.790 20 0 CBADMP C[C@@H](CNS(=O)(=O)C1C[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000923589852 658341513 /nfs/dbraw/zinc/34/15/13/658341513.db2.gz MTCXKONPWYDWTQ-MNOVXSKESA-N 2 1 275.418 -0.002 20 0 CBADMP C[C@@H]1C[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000923627249 658361213 /nfs/dbraw/zinc/36/12/13/658361213.db2.gz YXXIMZKEETZNAW-GHMZBOCLSA-N 2 1 288.417 -0.649 20 0 CBADMP O=S(=O)(C1C[NH2+]C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000923627395 658361538 /nfs/dbraw/zinc/36/15/38/658361538.db2.gz RMSBXPMXWIIENL-UHFFFAOYSA-N 2 1 289.401 -0.915 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923627669 658361802 /nfs/dbraw/zinc/36/18/02/658361802.db2.gz LCWUNNFKAGDHHZ-ZYHUDNBSSA-N 2 1 288.417 -0.791 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923630366 658362432 /nfs/dbraw/zinc/36/24/32/658362432.db2.gz XCWIYMLFLSZXKK-ZYHUDNBSSA-N 2 1 273.402 -0.296 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923628067 658363357 /nfs/dbraw/zinc/36/33/57/658363357.db2.gz NYDRPENCFHHHMV-KWQFWETISA-N 2 1 259.375 -0.640 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923628066 658365197 /nfs/dbraw/zinc/36/51/97/658365197.db2.gz NYDRPENCFHHHMV-KCJUWKMLSA-N 2 1 259.375 -0.640 20 0 CBADMP Cc1ccc(NCCNS(=O)(=O)N2CC[NH2+]CC2)[nH+]c1 ZINC000923735383 658426645 /nfs/dbraw/zinc/42/66/45/658426645.db2.gz XIFHXLPSSVFBDD-UHFFFAOYSA-N 2 1 299.400 -0.458 20 0 CBADMP C[C@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)[N@@H+](C)C1CC1 ZINC000924582188 658613426 /nfs/dbraw/zinc/61/34/26/658613426.db2.gz JBUVLFYQRNHPEN-MWLCHTKSSA-N 2 1 268.361 -0.049 20 0 CBADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCNS(C)(=O)=O ZINC000924597986 658620756 /nfs/dbraw/zinc/62/07/56/658620756.db2.gz AYTVEGCQZJUMED-FOSCPWQOSA-N 2 1 275.418 -0.145 20 0 CBADMP C[C@@H]1C[C@@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)CC[N@H+]1C ZINC000924628511 658625950 /nfs/dbraw/zinc/62/59/50/658625950.db2.gz JPCFTXMBLWUVCS-OUAUKWLOSA-N 2 1 268.361 -0.049 20 0 CBADMP CC1(C)CNC(=O)[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000924966726 658675293 /nfs/dbraw/zinc/67/52/93/658675293.db2.gz UILHZXWVSHNGRA-VXGBXAGGSA-N 2 1 296.415 -0.312 20 0 CBADMP CC1(C)CNC(=O)[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000924966726 658675299 /nfs/dbraw/zinc/67/52/99/658675299.db2.gz UILHZXWVSHNGRA-VXGBXAGGSA-N 2 1 296.415 -0.312 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1C ZINC000924978077 658684225 /nfs/dbraw/zinc/68/42/25/658684225.db2.gz INWXIHNHSLMWQN-QWRGUYRKSA-N 2 1 252.318 -0.627 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C ZINC000924978077 658684232 /nfs/dbraw/zinc/68/42/32/658684232.db2.gz INWXIHNHSLMWQN-QWRGUYRKSA-N 2 1 252.318 -0.627 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2C)CCC1 ZINC000924979017 658686438 /nfs/dbraw/zinc/68/64/38/658686438.db2.gz CXRUXWZYADYUFH-QWRGUYRKSA-N 2 1 255.362 -0.348 20 0 CBADMP NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC000961140113 658815272 /nfs/dbraw/zinc/81/52/72/658815272.db2.gz CNRRGHUOMNNFBZ-IMRBUKKESA-N 2 1 299.334 -0.520 20 0 CBADMP NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC000961140113 658815277 /nfs/dbraw/zinc/81/52/77/658815277.db2.gz CNRRGHUOMNNFBZ-IMRBUKKESA-N 2 1 299.334 -0.520 20 0 CBADMP COCC[N@@H+](C)CCCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000925286127 658816606 /nfs/dbraw/zinc/81/66/06/658816606.db2.gz HCOPQMBYQMSODJ-LLVKDONJSA-N 2 1 286.376 -0.563 20 0 CBADMP C[NH+](C)C[C@@H]1NC(=O)N([C@H]2CCC[N@@H+](C)C2)C1=O ZINC000925298808 658818525 /nfs/dbraw/zinc/81/85/25/658818525.db2.gz PWJFDYMOUDLOOE-UWVGGRQHSA-N 2 1 254.334 -0.437 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000925331421 658828082 /nfs/dbraw/zinc/82/80/82/658828082.db2.gz JNYFYEIYXHHBIL-NEPJUHHUSA-N 2 1 272.393 -0.308 20 0 CBADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925331421 658828088 /nfs/dbraw/zinc/82/80/88/658828088.db2.gz JNYFYEIYXHHBIL-NEPJUHHUSA-N 2 1 272.393 -0.308 20 0 CBADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000925331421 658828091 /nfs/dbraw/zinc/82/80/91/658828091.db2.gz JNYFYEIYXHHBIL-NEPJUHHUSA-N 2 1 272.393 -0.308 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961666379 658830556 /nfs/dbraw/zinc/83/05/56/658830556.db2.gz WGUSIMFNYASSRG-XEZLXBQYSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961666379 658830559 /nfs/dbraw/zinc/83/05/59/658830559.db2.gz WGUSIMFNYASSRG-XEZLXBQYSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@H+]1C ZINC000925346776 658832043 /nfs/dbraw/zinc/83/20/43/658832043.db2.gz VTQBGVDFIAZQQN-WOPDTQHZSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000925346776 658832044 /nfs/dbraw/zinc/83/20/44/658832044.db2.gz VTQBGVDFIAZQQN-WOPDTQHZSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000925346776 658832046 /nfs/dbraw/zinc/83/20/46/658832046.db2.gz VTQBGVDFIAZQQN-WOPDTQHZSA-N 2 1 270.377 -0.555 20 0 CBADMP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925409490 658839142 /nfs/dbraw/zinc/83/91/42/658839142.db2.gz VYADXFBSAKEWPV-LBPRGKRZSA-N 2 1 272.393 -0.090 20 0 CBADMP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925424824 658847513 /nfs/dbraw/zinc/84/75/13/658847513.db2.gz OFCVDIHUBHRFTC-FRRDWIJNSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC[C@@H]1CC[NH+]1C ZINC000925424824 658847516 /nfs/dbraw/zinc/84/75/16/658847516.db2.gz OFCVDIHUBHRFTC-FRRDWIJNSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@@H]1CC[NH+]1C ZINC000925424824 658847522 /nfs/dbraw/zinc/84/75/22/658847522.db2.gz OFCVDIHUBHRFTC-FRRDWIJNSA-N 2 1 284.404 -0.213 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962296907 658850559 /nfs/dbraw/zinc/85/05/59/658850559.db2.gz JSLLLUBWQGKMIT-ITGUQSILSA-N 2 1 279.384 -0.489 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+](C)C1 ZINC000925432458 658851921 /nfs/dbraw/zinc/85/19/21/658851921.db2.gz SPLAIBYBIIFOQA-NWDGAFQWSA-N 2 1 298.387 -0.563 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+](C)C1 ZINC000925432458 658851926 /nfs/dbraw/zinc/85/19/26/658851926.db2.gz SPLAIBYBIIFOQA-NWDGAFQWSA-N 2 1 298.387 -0.563 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C)CC[NH+](C)C1 ZINC000925432458 658851935 /nfs/dbraw/zinc/85/19/35/658851935.db2.gz SPLAIBYBIIFOQA-NWDGAFQWSA-N 2 1 298.387 -0.563 20 0 CBADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1CC[N@H+]1C ZINC000925433821 658854253 /nfs/dbraw/zinc/85/42/53/658854253.db2.gz XMOZAUYMGNZQSK-NWDGAFQWSA-N 2 1 297.403 -0.548 20 0 CBADMP C[C@@H](CN[C@@H]1C[NH2+]CCOC1)C[NH+]1CCOCC1 ZINC000925508978 658856512 /nfs/dbraw/zinc/85/65/12/658856512.db2.gz KSJRMZPAPFLMEP-QWHCGFSZSA-N 2 1 257.378 -0.467 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000962572241 658858070 /nfs/dbraw/zinc/85/80/70/658858070.db2.gz GRUMCYQDBRMSPN-PJXYFTJBSA-N 2 1 264.329 -0.770 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000962572241 658858075 /nfs/dbraw/zinc/85/80/75/658858075.db2.gz GRUMCYQDBRMSPN-PJXYFTJBSA-N 2 1 264.329 -0.770 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000925541621 658858266 /nfs/dbraw/zinc/85/82/66/658858266.db2.gz COQZAYGHIIBZEE-WDEREUQCSA-N 2 1 255.362 -0.001 20 0 CBADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000925543002 658858490 /nfs/dbraw/zinc/85/84/90/658858490.db2.gz JWTXCPAGRXZXLZ-JTQLQIEISA-N 2 1 255.362 -0.001 20 0 CBADMP CC(=O)N1CCN(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925547232 658859654 /nfs/dbraw/zinc/85/96/54/658859654.db2.gz MOAXWARCGPUSEC-GVRJEKJASA-N 2 1 292.427 -0.264 20 0 CBADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CNCCOC1 ZINC000925609850 658862503 /nfs/dbraw/zinc/86/25/03/658862503.db2.gz WMRBJNVJLOLOQY-ZIAGYGMSSA-N 2 1 271.405 -0.199 20 0 CBADMP OC[C@H]1CCC[N@@H+]1CCCCN[C@@H]1C[NH2+]CCOC1 ZINC000925609850 658862504 /nfs/dbraw/zinc/86/25/04/658862504.db2.gz WMRBJNVJLOLOQY-ZIAGYGMSSA-N 2 1 271.405 -0.199 20 0 CBADMP OC[C@H]1CCC[N@H+]1CCCCN[C@@H]1C[NH2+]CCOC1 ZINC000925609850 658862506 /nfs/dbraw/zinc/86/25/06/658862506.db2.gz WMRBJNVJLOLOQY-ZIAGYGMSSA-N 2 1 271.405 -0.199 20 0 CBADMP CC[NH+](CC)CCOCC[NH2+][C@@H]1CNCCOC1 ZINC000925647664 658863933 /nfs/dbraw/zinc/86/39/33/658863933.db2.gz DYQCWCWESQZWOJ-CYBMUJFWSA-N 2 1 259.394 -0.077 20 0 CBADMP O[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)Cn1ccnn1 ZINC000925686158 658866064 /nfs/dbraw/zinc/86/60/64/658866064.db2.gz QDHOZLJAQAWPMH-JSAZDUPASA-N 2 1 263.345 -0.775 20 0 CBADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000926171832 658888049 /nfs/dbraw/zinc/88/80/49/658888049.db2.gz AUXOKELJUHNCNK-QWHCGFSZSA-N 2 1 270.373 -0.019 20 0 CBADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000926171832 658888050 /nfs/dbraw/zinc/88/80/50/658888050.db2.gz AUXOKELJUHNCNK-QWHCGFSZSA-N 2 1 270.373 -0.019 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000926295993 658890980 /nfs/dbraw/zinc/89/09/80/658890980.db2.gz SPMFFYYFCOQTQE-ZDUSSCGKSA-N 2 1 296.415 -0.262 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH3+] ZINC000926331638 658893221 /nfs/dbraw/zinc/89/32/21/658893221.db2.gz HKOAHRTZHFPTLM-IJLUTSLNSA-N 2 1 282.388 -0.798 20 0 CBADMP 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 658895456 /nfs/dbraw/zinc/89/54/56/658895456.db2.gz PSNCRSNCFRDBQO-FVCCEPFGSA-N 2 1 296.415 -0.267 20 0 CBADMP 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 658895800 /nfs/dbraw/zinc/89/58/00/658895800.db2.gz KYWYUHYIOTYPAS-YVECIDJPSA-N 2 1 296.415 -0.409 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926384048 658897546 /nfs/dbraw/zinc/89/75/46/658897546.db2.gz YRSWSCMHEBCLIU-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP 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 658899374 /nfs/dbraw/zinc/89/93/74/658899374.db2.gz MRJISWLZUSOCMM-LPWJVIDDSA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)CN1CCCC1 ZINC000968652141 658937525 /nfs/dbraw/zinc/93/75/25/658937525.db2.gz PIBBTNZJPHCRGG-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968652141 658937535 /nfs/dbraw/zinc/93/75/35/658937535.db2.gz PIBBTNZJPHCRGG-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CCCN1C)C1CN(CC(=O)N(C)C)C1 ZINC000969411710 658989260 /nfs/dbraw/zinc/98/92/60/658989260.db2.gz OOXCAPUCWMKCNW-AAEUAGOBSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CCO)C1 ZINC000969700958 659011114 /nfs/dbraw/zinc/01/11/14/659011114.db2.gz RVIVAYQBOMLECZ-NQBHXWOUSA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CCO)C1 ZINC000969944231 659025635 /nfs/dbraw/zinc/02/56/35/659025635.db2.gz KXTYXJOCLGMECE-NQBHXWOUSA-N 2 1 285.388 -0.866 20 0 CBADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CCO)C1 ZINC000969944231 659025645 /nfs/dbraw/zinc/02/56/45/659025645.db2.gz KXTYXJOCLGMECE-NQBHXWOUSA-N 2 1 285.388 -0.866 20 0 CBADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](CCO)C1 ZINC000969968407 659027486 /nfs/dbraw/zinc/02/74/86/659027486.db2.gz ITQPJKBACNFLPY-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+](C)CCn1nccc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928557112 659040665 /nfs/dbraw/zinc/04/06/65/659040665.db2.gz ZYYPYWJHYTXEMX-LLVKDONJSA-N 2 1 265.361 -0.121 20 0 CBADMP C[NH+](C)CCn1nccc1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928557112 659040670 /nfs/dbraw/zinc/04/06/70/659040670.db2.gz ZYYPYWJHYTXEMX-LLVKDONJSA-N 2 1 265.361 -0.121 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCCO)C1 ZINC000970879108 659073718 /nfs/dbraw/zinc/07/37/18/659073718.db2.gz RQQVOBRXLXOSHF-NWDGAFQWSA-N 2 1 269.389 -0.243 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971540078 659093898 /nfs/dbraw/zinc/09/38/98/659093898.db2.gz CEBNOKZVSVJSHI-KBPBESRZSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000971686657 659096016 /nfs/dbraw/zinc/09/60/16/659096016.db2.gz DFZTVTWQBNBXNQ-DGCLKSJQSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971686657 659096022 /nfs/dbraw/zinc/09/60/22/659096022.db2.gz DFZTVTWQBNBXNQ-DGCLKSJQSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971686657 659096029 /nfs/dbraw/zinc/09/60/29/659096029.db2.gz DFZTVTWQBNBXNQ-DGCLKSJQSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000929167632 659097357 /nfs/dbraw/zinc/09/73/57/659097357.db2.gz DECIJUJBCZBKKS-CYBMUJFWSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000929167632 659097364 /nfs/dbraw/zinc/09/73/64/659097364.db2.gz DECIJUJBCZBKKS-CYBMUJFWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000929244121 659107494 /nfs/dbraw/zinc/10/74/94/659107494.db2.gz IZRGHEPPBQABGG-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000929244121 659107497 /nfs/dbraw/zinc/10/74/97/659107497.db2.gz IZRGHEPPBQABGG-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH+](C)CCO)C1 ZINC000972333878 659116438 /nfs/dbraw/zinc/11/64/38/659116438.db2.gz YGMNYGBAJOSLDS-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000972333878 659116442 /nfs/dbraw/zinc/11/64/42/659116442.db2.gz YGMNYGBAJOSLDS-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000972333878 659116444 /nfs/dbraw/zinc/11/64/44/659116444.db2.gz YGMNYGBAJOSLDS-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@H+](CCO)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972551383 659120010 /nfs/dbraw/zinc/12/00/10/659120010.db2.gz IHBDGTVXCAMJRU-ZDUSSCGKSA-N 2 1 285.388 -0.766 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972551383 659120012 /nfs/dbraw/zinc/12/00/12/659120012.db2.gz IHBDGTVXCAMJRU-ZDUSSCGKSA-N 2 1 285.388 -0.766 20 0 CBADMP C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972552862 659120395 /nfs/dbraw/zinc/12/03/95/659120395.db2.gz UUTSDKIECSBRMO-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972552862 659120398 /nfs/dbraw/zinc/12/03/98/659120398.db2.gz UUTSDKIECSBRMO-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000929508111 659134022 /nfs/dbraw/zinc/13/40/22/659134022.db2.gz AWOLABPUXJWGSO-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000929508111 659134026 /nfs/dbraw/zinc/13/40/26/659134026.db2.gz AWOLABPUXJWGSO-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000929508111 659134029 /nfs/dbraw/zinc/13/40/29/659134029.db2.gz AWOLABPUXJWGSO-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000929508111 659134033 /nfs/dbraw/zinc/13/40/33/659134033.db2.gz AWOLABPUXJWGSO-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000929509064 659134149 /nfs/dbraw/zinc/13/41/49/659134149.db2.gz YMNXDXHHXXWIGE-RWMBFGLXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000929509064 659134152 /nfs/dbraw/zinc/13/41/52/659134152.db2.gz YMNXDXHHXXWIGE-RWMBFGLXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000929509064 659134155 /nfs/dbraw/zinc/13/41/55/659134155.db2.gz YMNXDXHHXXWIGE-RWMBFGLXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000929509064 659134156 /nfs/dbraw/zinc/13/41/56/659134156.db2.gz YMNXDXHHXXWIGE-RWMBFGLXSA-N 2 1 294.399 -0.450 20 0 CBADMP CO[C@@H]1CC[NH+]([C@H](C)CNC(=O)C[N@H+]2CC[C@@H](OC)C2)C1 ZINC000929791041 659171956 /nfs/dbraw/zinc/17/19/56/659171956.db2.gz AENMHUGCYHMADK-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H]1CC[NH+]([C@H](C)CNC(=O)C[N@@H+]2CC[C@@H](OC)C2)C1 ZINC000929791041 659171958 /nfs/dbraw/zinc/17/19/58/659171958.db2.gz AENMHUGCYHMADK-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H]1CC[NH+](CC(=O)NC[C@@H](C)[N@@H+]2CC[C@@H](OC)C2)C1 ZINC000929791041 659171959 /nfs/dbraw/zinc/17/19/59/659171959.db2.gz AENMHUGCYHMADK-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H]1CC[NH+](CC(=O)NC[C@@H](C)[N@H+]2CC[C@@H](OC)C2)C1 ZINC000929791041 659171962 /nfs/dbraw/zinc/17/19/62/659171962.db2.gz AENMHUGCYHMADK-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC2(C)C)O1 ZINC000974750016 659172887 /nfs/dbraw/zinc/17/28/87/659172887.db2.gz HFNQXCCSOYUEGP-JHJVBQTASA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC2(C)C)O1 ZINC000974750016 659172891 /nfs/dbraw/zinc/17/28/91/659172891.db2.gz HFNQXCCSOYUEGP-JHJVBQTASA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCO)CC2(C)C)O1 ZINC000974750016 659172893 /nfs/dbraw/zinc/17/28/93/659172893.db2.gz HFNQXCCSOYUEGP-JHJVBQTASA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)O1 ZINC000974750016 659172895 /nfs/dbraw/zinc/17/28/95/659172895.db2.gz HFNQXCCSOYUEGP-JHJVBQTASA-N 2 1 299.415 -0.476 20 0 CBADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000929929753 659185649 /nfs/dbraw/zinc/18/56/49/659185649.db2.gz QZSDZEYLIFEDCJ-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000929929753 659185657 /nfs/dbraw/zinc/18/56/57/659185657.db2.gz QZSDZEYLIFEDCJ-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000929929753 659185668 /nfs/dbraw/zinc/18/56/68/659185668.db2.gz QZSDZEYLIFEDCJ-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000929929753 659185682 /nfs/dbraw/zinc/18/56/82/659185682.db2.gz QZSDZEYLIFEDCJ-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000929956870 659186683 /nfs/dbraw/zinc/18/66/83/659186683.db2.gz WACLRHJXJZTHAP-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000929956870 659186686 /nfs/dbraw/zinc/18/66/86/659186686.db2.gz WACLRHJXJZTHAP-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000929956870 659186691 /nfs/dbraw/zinc/18/66/91/659186691.db2.gz WACLRHJXJZTHAP-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000929956870 659186697 /nfs/dbraw/zinc/18/66/97/659186697.db2.gz WACLRHJXJZTHAP-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[NH+](C)C1CC1 ZINC000929957227 659187316 /nfs/dbraw/zinc/18/73/16/659187316.db2.gz OYSPTNHAPSXPJJ-JQWIXIFHSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[NH+](C)C1CC1 ZINC000929957227 659187326 /nfs/dbraw/zinc/18/73/26/659187326.db2.gz OYSPTNHAPSXPJJ-JQWIXIFHSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)[N@H+](C)C1CC1 ZINC000929957227 659187331 /nfs/dbraw/zinc/18/73/31/659187331.db2.gz OYSPTNHAPSXPJJ-JQWIXIFHSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)[N@@H+](C)C1CC1 ZINC000929957227 659187337 /nfs/dbraw/zinc/18/73/37/659187337.db2.gz OYSPTNHAPSXPJJ-JQWIXIFHSA-N 2 1 282.388 -0.594 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000929992918 659193079 /nfs/dbraw/zinc/19/30/79/659193079.db2.gz YHGODSXLWNWSBZ-STQMWFEESA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000929992918 659193092 /nfs/dbraw/zinc/19/30/92/659193092.db2.gz YHGODSXLWNWSBZ-STQMWFEESA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000929992918 659193109 /nfs/dbraw/zinc/19/31/09/659193109.db2.gz YHGODSXLWNWSBZ-STQMWFEESA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000929992918 659193121 /nfs/dbraw/zinc/19/31/21/659193121.db2.gz YHGODSXLWNWSBZ-STQMWFEESA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978961583 659234242 /nfs/dbraw/zinc/23/42/42/659234242.db2.gz OCZMZEUIGQQOTC-XDQVBPFNSA-N 2 1 293.411 -0.243 20 0 CBADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000930205600 659234461 /nfs/dbraw/zinc/23/44/61/659234461.db2.gz CPFJEQFHQATULR-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000930205600 659234472 /nfs/dbraw/zinc/23/44/72/659234472.db2.gz CPFJEQFHQATULR-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000930205602 659235566 /nfs/dbraw/zinc/23/55/66/659235566.db2.gz CPFJEQFHQATULR-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000930205602 659235578 /nfs/dbraw/zinc/23/55/78/659235578.db2.gz CPFJEQFHQATULR-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405185 659271908 /nfs/dbraw/zinc/27/19/08/659271908.db2.gz GYNSZPIBYGGMGJ-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000981525793 659321471 /nfs/dbraw/zinc/32/14/71/659321471.db2.gz ZTKCFELOFPOGOE-NWDGAFQWSA-N 2 1 293.371 -0.306 20 0 CBADMP CN(C)C(=O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000930715197 659327532 /nfs/dbraw/zinc/32/75/32/659327532.db2.gz GCQUHQZTPIWLHV-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C)C(=O)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000930715199 659327583 /nfs/dbraw/zinc/32/75/83/659327583.db2.gz GCQUHQZTPIWLHV-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+](CCCCNC(=O)C(=O)NC[C@H]1CC[NH+]1C)C1CC1 ZINC000930807239 659342329 /nfs/dbraw/zinc/34/23/29/659342329.db2.gz MULFAHLVSWLISL-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+](CCCCNC(=O)C(=O)NC[C@H]1CC[NH+]1C)C1CC1 ZINC000930807239 659342336 /nfs/dbraw/zinc/34/23/36/659342336.db2.gz MULFAHLVSWLISL-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C1CC1 ZINC000930807239 659342341 /nfs/dbraw/zinc/34/23/41/659342341.db2.gz MULFAHLVSWLISL-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)C1CC1 ZINC000930807239 659342346 /nfs/dbraw/zinc/34/23/46/659342346.db2.gz MULFAHLVSWLISL-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931018260 659373501 /nfs/dbraw/zinc/37/35/01/659373501.db2.gz LRIZUWGQCREIKU-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931018260 659373509 /nfs/dbraw/zinc/37/35/09/659373509.db2.gz LRIZUWGQCREIKU-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931018260 659373517 /nfs/dbraw/zinc/37/35/17/659373517.db2.gz LRIZUWGQCREIKU-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931018260 659373524 /nfs/dbraw/zinc/37/35/24/659373524.db2.gz LRIZUWGQCREIKU-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC000985120641 659374029 /nfs/dbraw/zinc/37/40/29/659374029.db2.gz WOBYIJTWFKLVPW-CYDGBPFRSA-N 2 1 294.399 -0.689 20 0 CBADMP C[C@H](O)[C@@H](O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000931076407 659382917 /nfs/dbraw/zinc/38/29/17/659382917.db2.gz RBUMOGLITKCSGF-XQQFMLRXSA-N 2 1 260.378 -0.229 20 0 CBADMP C[C@H](O)[C@@H](O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000931076407 659382923 /nfs/dbraw/zinc/38/29/23/659382923.db2.gz RBUMOGLITKCSGF-XQQFMLRXSA-N 2 1 260.378 -0.229 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC000985653895 659395187 /nfs/dbraw/zinc/39/51/87/659395187.db2.gz NADWUZHAGLLCEH-AAEUAGOBSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC000985653895 659395193 /nfs/dbraw/zinc/39/51/93/659395193.db2.gz NADWUZHAGLLCEH-AAEUAGOBSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC000985653895 659395198 /nfs/dbraw/zinc/39/51/98/659395198.db2.gz NADWUZHAGLLCEH-AAEUAGOBSA-N 2 1 296.415 -0.408 20 0 CBADMP C[N@@H+](CC(N)=O)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000985792600 659399093 /nfs/dbraw/zinc/39/90/93/659399093.db2.gz NOHVNQKJIIAVEB-UHFFFAOYSA-N 2 1 282.388 -0.510 20 0 CBADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931874885 659536591 /nfs/dbraw/zinc/53/65/91/659536591.db2.gz MEPOZBOPAWJFEC-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931874885 659536602 /nfs/dbraw/zinc/53/66/02/659536602.db2.gz MEPOZBOPAWJFEC-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931874885 659536618 /nfs/dbraw/zinc/53/66/18/659536618.db2.gz MEPOZBOPAWJFEC-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931874885 659536628 /nfs/dbraw/zinc/53/66/28/659536628.db2.gz MEPOZBOPAWJFEC-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000931874748 659537194 /nfs/dbraw/zinc/53/71/94/659537194.db2.gz POTKUUYAXZGFDH-STQMWFEESA-N 2 1 294.399 -0.498 20 0 CBADMP CN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000931874748 659537199 /nfs/dbraw/zinc/53/71/99/659537199.db2.gz POTKUUYAXZGFDH-STQMWFEESA-N 2 1 294.399 -0.498 20 0 CBADMP CN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[C@H]1CC[NH+](C2CC2)C1 ZINC000931874748 659537201 /nfs/dbraw/zinc/53/72/01/659537201.db2.gz POTKUUYAXZGFDH-STQMWFEESA-N 2 1 294.399 -0.498 20 0 CBADMP CN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[C@H]1CC[NH+](C2CC2)C1 ZINC000931874748 659537207 /nfs/dbraw/zinc/53/72/07/659537207.db2.gz POTKUUYAXZGFDH-STQMWFEESA-N 2 1 294.399 -0.498 20 0 CBADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931877310 659539395 /nfs/dbraw/zinc/53/93/95/659539395.db2.gz FQQMKHRNOGCOFM-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931877310 659539402 /nfs/dbraw/zinc/53/94/02/659539402.db2.gz FQQMKHRNOGCOFM-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931877310 659539405 /nfs/dbraw/zinc/53/94/05/659539405.db2.gz FQQMKHRNOGCOFM-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931877310 659539406 /nfs/dbraw/zinc/53/94/06/659539406.db2.gz FQQMKHRNOGCOFM-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931880181 659542715 /nfs/dbraw/zinc/54/27/15/659542715.db2.gz VVGPZRVPZKKNKL-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931880181 659542724 /nfs/dbraw/zinc/54/27/24/659542724.db2.gz VVGPZRVPZKKNKL-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)CC1 ZINC000931883074 659550511 /nfs/dbraw/zinc/55/05/11/659550511.db2.gz QEDIYAQRVJCBNZ-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)CC1 ZINC000931883074 659550525 /nfs/dbraw/zinc/55/05/25/659550525.db2.gz QEDIYAQRVJCBNZ-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP CC[NH+]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000931883074 659550533 /nfs/dbraw/zinc/55/05/33/659550533.db2.gz QEDIYAQRVJCBNZ-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP CC[NH+]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000931883074 659550542 /nfs/dbraw/zinc/55/05/42/659550542.db2.gz QEDIYAQRVJCBNZ-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931888071 659556295 /nfs/dbraw/zinc/55/62/95/659556295.db2.gz ZFAKJZKMTYIVRD-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931888071 659556297 /nfs/dbraw/zinc/55/62/97/659556297.db2.gz ZFAKJZKMTYIVRD-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931888071 659556311 /nfs/dbraw/zinc/55/63/11/659556311.db2.gz ZFAKJZKMTYIVRD-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931888071 659556319 /nfs/dbraw/zinc/55/63/19/659556319.db2.gz ZFAKJZKMTYIVRD-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC000989177075 659574398 /nfs/dbraw/zinc/57/43/98/659574398.db2.gz MBSJGUROOJKOIG-MWLCHTKSSA-N 2 1 279.344 -0.744 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989660950 659606395 /nfs/dbraw/zinc/60/63/95/659606395.db2.gz CYXXSWVTFIUYMG-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989660950 659606401 /nfs/dbraw/zinc/60/64/01/659606401.db2.gz CYXXSWVTFIUYMG-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989660950 659606407 /nfs/dbraw/zinc/60/64/07/659606407.db2.gz CYXXSWVTFIUYMG-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989660950 659606411 /nfs/dbraw/zinc/60/64/11/659606411.db2.gz CYXXSWVTFIUYMG-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CCO)C[C@@H]1C ZINC000989800063 659615386 /nfs/dbraw/zinc/61/53/86/659615386.db2.gz PMYUORRTNQWPIP-CMPLNLGQSA-N 2 1 266.345 -0.237 20 0 CBADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)C[C@]3(O)CCOC3)C[C@]2(C)C1 ZINC000933735298 659735063 /nfs/dbraw/zinc/73/50/63/659735063.db2.gz VCMKYLLNTYKFNL-APIJFGDWSA-N 2 1 284.400 -0.228 20 0 CBADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)C[C@]3(O)CCOC3)C[C@]2(C)C1 ZINC000933735298 659735068 /nfs/dbraw/zinc/73/50/68/659735068.db2.gz VCMKYLLNTYKFNL-APIJFGDWSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)C[C@]3(O)CCOC3)C[C@]2(C)C1 ZINC000933735298 659735074 /nfs/dbraw/zinc/73/50/74/659735074.db2.gz VCMKYLLNTYKFNL-APIJFGDWSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)C[C@]3(O)CCOC3)C[C@]2(C)C1 ZINC000933735298 659735082 /nfs/dbraw/zinc/73/50/82/659735082.db2.gz VCMKYLLNTYKFNL-APIJFGDWSA-N 2 1 284.400 -0.228 20 0 CBADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)C[C@]3(O)CCOC3)C[C@]2(C)C1 ZINC000933735302 659735628 /nfs/dbraw/zinc/73/56/28/659735628.db2.gz VCMKYLLNTYKFNL-CBBWQLFWSA-N 2 1 284.400 -0.228 20 0 CBADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)C[C@]3(O)CCOC3)C[C@]2(C)C1 ZINC000933735302 659735633 /nfs/dbraw/zinc/73/56/33/659735633.db2.gz VCMKYLLNTYKFNL-CBBWQLFWSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)C[C@]3(O)CCOC3)C[C@]2(C)C1 ZINC000933735302 659735636 /nfs/dbraw/zinc/73/56/36/659735636.db2.gz VCMKYLLNTYKFNL-CBBWQLFWSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)C[C@]3(O)CCOC3)C[C@]2(C)C1 ZINC000933735302 659735641 /nfs/dbraw/zinc/73/56/41/659735641.db2.gz VCMKYLLNTYKFNL-CBBWQLFWSA-N 2 1 284.400 -0.228 20 0 CBADMP CC[N@H+](CCC(=O)NC)CCC(=O)N1CC[NH+](C)CC1 ZINC000933862523 659744120 /nfs/dbraw/zinc/74/41/20/659744120.db2.gz JAIZELLNIYMHOI-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CC[N@@H+](CCC(=O)NC)CCC(=O)N1CC[NH+](C)CC1 ZINC000933862523 659744131 /nfs/dbraw/zinc/74/41/31/659744131.db2.gz JAIZELLNIYMHOI-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000990508403 659752519 /nfs/dbraw/zinc/75/25/19/659752519.db2.gz MCOJCINPWYMNAE-STQMWFEESA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000990508403 659752523 /nfs/dbraw/zinc/75/25/23/659752523.db2.gz MCOJCINPWYMNAE-STQMWFEESA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000990508403 659752533 /nfs/dbraw/zinc/75/25/33/659752533.db2.gz MCOJCINPWYMNAE-STQMWFEESA-N 2 1 294.399 -0.498 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CC[C@H]2[C@H]1CCC[NH+]2CCO)C1CC1 ZINC000934270748 659799619 /nfs/dbraw/zinc/79/96/19/659799619.db2.gz YCEAUCWLESNTIC-XHSDSOJGSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+](C[C@H](O)CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)C1CC1 ZINC000934270748 659799630 /nfs/dbraw/zinc/79/96/30/659799630.db2.gz YCEAUCWLESNTIC-XHSDSOJGSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+](C[C@H](O)CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO)C1CC1 ZINC000934270748 659799643 /nfs/dbraw/zinc/79/96/43/659799643.db2.gz YCEAUCWLESNTIC-XHSDSOJGSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000991725358 659843253 /nfs/dbraw/zinc/84/32/53/659843253.db2.gz ZHNSLHGAOXATBL-VXGBXAGGSA-N 2 1 294.399 -0.783 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000991725358 659843254 /nfs/dbraw/zinc/84/32/54/659843254.db2.gz ZHNSLHGAOXATBL-VXGBXAGGSA-N 2 1 294.399 -0.783 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991725358 659843257 /nfs/dbraw/zinc/84/32/57/659843257.db2.gz ZHNSLHGAOXATBL-VXGBXAGGSA-N 2 1 294.399 -0.783 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000935980292 659849148 /nfs/dbraw/zinc/84/91/48/659849148.db2.gz HHSVJOFOHAQMCO-RYUDHWBXSA-N 2 1 257.378 -0.102 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC(N)=O ZINC000939136681 659883881 /nfs/dbraw/zinc/88/38/81/659883881.db2.gz BIXCBZYXSJPTDY-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943206 659939258 /nfs/dbraw/zinc/93/92/58/659939258.db2.gz GDQWEZFVIWMPGZ-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943206 659939259 /nfs/dbraw/zinc/93/92/59/659939259.db2.gz GDQWEZFVIWMPGZ-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(N)=O ZINC000948038771 659963999 /nfs/dbraw/zinc/96/39/99/659963999.db2.gz BIXNFVZNRXOCGQ-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(N)=O ZINC000948038771 659964001 /nfs/dbraw/zinc/96/40/01/659964001.db2.gz BIXNFVZNRXOCGQ-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@@H+]1CCO[C@H]2CN(c3ncnc4c3C[NH2+]C4)C[C@H]21 ZINC001164669708 719384262 /nfs/dbraw/zinc/38/42/62/719384262.db2.gz UYZLGKBIMFHYAW-NEPJUHHUSA-N 2 1 261.329 -0.401 20 0 CBADMP C[N@H+]1CCO[C@H]2CN(c3ncnc4c3C[NH2+]C4)C[C@H]21 ZINC001164669708 719384265 /nfs/dbraw/zinc/38/42/65/719384265.db2.gz UYZLGKBIMFHYAW-NEPJUHHUSA-N 2 1 261.329 -0.401 20 0 CBADMP C[N@H+]1CCO[C@@H]2CN(c3ncc4c(n3)C[NH2+]C4)C[C@@H]21 ZINC001164669300 719392529 /nfs/dbraw/zinc/39/25/29/719392529.db2.gz UQWDXODHOLNGHW-NWDGAFQWSA-N 2 1 261.329 -0.401 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC001076569055 805581621 /nfs/dbraw/zinc/58/16/21/805581621.db2.gz ICJOFLJVXXKJLU-BFHYXJOUSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC001076569055 805581624 /nfs/dbraw/zinc/58/16/24/805581624.db2.gz ICJOFLJVXXKJLU-BFHYXJOUSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC001076569055 805581628 /nfs/dbraw/zinc/58/16/28/805581628.db2.gz ICJOFLJVXXKJLU-BFHYXJOUSA-N 2 1 281.400 -0.147 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001076588727 805584036 /nfs/dbraw/zinc/58/40/36/805584036.db2.gz CSXIQUWPPOLMRE-MJBXVCDLSA-N 2 1 297.399 -0.768 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001076588727 805584041 /nfs/dbraw/zinc/58/40/41/805584041.db2.gz CSXIQUWPPOLMRE-MJBXVCDLSA-N 2 1 297.399 -0.768 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001076588727 805584044 /nfs/dbraw/zinc/58/40/44/805584044.db2.gz CSXIQUWPPOLMRE-MJBXVCDLSA-N 2 1 297.399 -0.768 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001076588727 805584049 /nfs/dbraw/zinc/58/40/49/805584049.db2.gz CSXIQUWPPOLMRE-MJBXVCDLSA-N 2 1 297.399 -0.768 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[C@H](C)[NH3+])CC1 ZINC000037608005 790319959 /nfs/dbraw/zinc/31/99/59/790319959.db2.gz BWLNFRBDLUEFES-VIFPVBQESA-N 2 1 256.350 -0.950 20 0 CBADMP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076805693 805628265 /nfs/dbraw/zinc/62/82/65/805628265.db2.gz QPXZTPKDPSDEJG-JHJVBQTASA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076805693 805628272 /nfs/dbraw/zinc/62/82/72/805628272.db2.gz QPXZTPKDPSDEJG-JHJVBQTASA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001076805693 805628279 /nfs/dbraw/zinc/62/82/79/805628279.db2.gz QPXZTPKDPSDEJG-JHJVBQTASA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076805693 805628284 /nfs/dbraw/zinc/62/82/84/805628284.db2.gz QPXZTPKDPSDEJG-JHJVBQTASA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000044413010 790326054 /nfs/dbraw/zinc/32/60/54/790326054.db2.gz NRWSYUATUOTAFC-GHMZBOCLSA-N 2 1 268.361 -0.996 20 0 CBADMP C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000076399882 790357883 /nfs/dbraw/zinc/35/78/83/790357883.db2.gz QAQNMALPWCISNT-AWEZNQCLSA-N 2 1 268.405 -0.702 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)CCC[NH3+])CC1 ZINC000082257103 790363061 /nfs/dbraw/zinc/36/30/61/790363061.db2.gz REKDNHOJECVVNW-UHFFFAOYSA-N 2 1 256.394 -0.131 20 0 CBADMP O=C(NC[C@@H]1CCC[N@H+](CCO)C1)[C@@H]1CCC[NH2+]1 ZINC000135409871 790393068 /nfs/dbraw/zinc/39/30/68/790393068.db2.gz MJUPGOUCSKPQAS-RYUDHWBXSA-N 2 1 255.362 -0.441 20 0 CBADMP COC[C@@H](C)OC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000234843353 790443575 /nfs/dbraw/zinc/44/35/75/790443575.db2.gz WGEDLTNXDPNGPQ-FVCCEPFGSA-N 2 1 258.362 -0.450 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000300259392 790468593 /nfs/dbraw/zinc/46/85/93/790468593.db2.gz JWDYJDHLHQMLLI-JHJVBQTASA-N 2 1 260.378 -0.073 20 0 CBADMP c1ncn(CC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000310899688 790476899 /nfs/dbraw/zinc/47/68/99/790476899.db2.gz MOBSCHSQZVDUGH-GFCCVEGCSA-N 2 1 250.350 -0.742 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000379434430 790511361 /nfs/dbraw/zinc/51/13/61/790511361.db2.gz LDLSPWXRHMKVHO-AVGNSLFASA-N 2 1 259.394 -0.392 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000382268166 790525190 /nfs/dbraw/zinc/52/51/90/790525190.db2.gz DFBAZZONCNFALP-MELADBBJSA-N 2 1 271.405 -0.391 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000385414247 790542715 /nfs/dbraw/zinc/54/27/15/790542715.db2.gz UGFMNPZIRBQHJF-VXGBXAGGSA-N 2 1 254.378 -0.524 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000386199113 790545947 /nfs/dbraw/zinc/54/59/47/790545947.db2.gz WFCPRMREPHVBPR-QWHCGFSZSA-N 2 1 259.394 -0.404 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000386199113 790545954 /nfs/dbraw/zinc/54/59/54/790545954.db2.gz WFCPRMREPHVBPR-QWHCGFSZSA-N 2 1 259.394 -0.404 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000386199113 790545965 /nfs/dbraw/zinc/54/59/65/790545965.db2.gz WFCPRMREPHVBPR-QWHCGFSZSA-N 2 1 259.394 -0.404 20 0 CBADMP COC1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH2+]CC1 ZINC000386056979 790546328 /nfs/dbraw/zinc/54/63/28/790546328.db2.gz GMDSBRVWBGDCRN-CHWSQXEVSA-N 2 1 297.399 -0.266 20 0 CBADMP C[NH2+][C@@H]1CCCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000386061926 790546432 /nfs/dbraw/zinc/54/64/32/790546432.db2.gz DQOBIUIXHMUMJI-OLZOCXBDSA-N 2 1 259.394 -0.391 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000386343916 790547354 /nfs/dbraw/zinc/54/73/54/790547354.db2.gz LZCINABJRGQPDU-XQQFMLRXSA-N 2 1 259.394 -0.392 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000386527126 790547660 /nfs/dbraw/zinc/54/76/60/790547660.db2.gz OMLBLBQPDNBNAQ-UPJWGTAASA-N 2 1 258.362 -0.306 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000386334318 790547865 /nfs/dbraw/zinc/54/78/65/790547865.db2.gz QJJNJWNDWOHBHF-LBPRGKRZSA-N 2 1 255.362 -0.535 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000386334318 790547871 /nfs/dbraw/zinc/54/78/71/790547871.db2.gz QJJNJWNDWOHBHF-LBPRGKRZSA-N 2 1 255.362 -0.535 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC000386334318 790547876 /nfs/dbraw/zinc/54/78/76/790547876.db2.gz QJJNJWNDWOHBHF-LBPRGKRZSA-N 2 1 255.362 -0.535 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000386527125 790548712 /nfs/dbraw/zinc/54/87/12/790548712.db2.gz OMLBLBQPDNBNAQ-JHJVBQTASA-N 2 1 258.362 -0.306 20 0 CBADMP [NH3+][C@H](CC(F)F)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000388339982 790555676 /nfs/dbraw/zinc/55/56/76/790555676.db2.gz WRQZBCRFJZLZQM-IVZWLZJFSA-N 2 1 277.315 -0.052 20 0 CBADMP COC[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000387009183 790551808 /nfs/dbraw/zinc/55/18/08/790551808.db2.gz XTWPGUNWOFBBKU-GUTXKFCHSA-N 2 1 297.399 -0.408 20 0 CBADMP OCCOC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000387154978 790551826 /nfs/dbraw/zinc/55/18/26/790551826.db2.gz WRWAYZCWROUVHI-ZDUSSCGKSA-N 2 1 272.389 -0.084 20 0 CBADMP CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000388248078 790555908 /nfs/dbraw/zinc/55/59/08/790555908.db2.gz GTTGJJUULFNZOV-RYUDHWBXSA-N 2 1 291.417 -0.669 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000388376048 790556764 /nfs/dbraw/zinc/55/67/64/790556764.db2.gz QMFZUAWSZYMWPX-RDBSUJKOSA-N 2 1 271.405 -0.248 20 0 CBADMP C[NH2+]C[C@@H]1CCCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000388696429 790557448 /nfs/dbraw/zinc/55/74/48/790557448.db2.gz FBXKLOBDWYRPJZ-UONOGXRCSA-N 2 1 273.421 -0.143 20 0 CBADMP C[NH2+]C1(C(=O)NCCC[NH+]2CCN(C)CC2)CCC1 ZINC000388652364 790557859 /nfs/dbraw/zinc/55/78/59/790557859.db2.gz ZQJBFTFCFFGUJQ-UHFFFAOYSA-N 2 1 268.405 -0.118 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000388673182 790559501 /nfs/dbraw/zinc/55/95/01/790559501.db2.gz CXMZZMLKCLEPAY-RDBSUJKOSA-N 2 1 273.421 -0.015 20 0 CBADMP C[NH2+]C[C@@H]1CCCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000388695367 790559745 /nfs/dbraw/zinc/55/97/45/790559745.db2.gz FBXKLOBDWYRPJZ-KBPBESRZSA-N 2 1 273.421 -0.143 20 0 CBADMP COCCOC[C@@H](O)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392880035 790568715 /nfs/dbraw/zinc/56/87/15/790568715.db2.gz ROBYKDQRAFDVKQ-ZDUSSCGKSA-N 2 1 258.362 -0.138 20 0 CBADMP CCCN(C[C@H](O)C[N@@H+](C)CCOC)[C@H]1CC[NH2+]C1 ZINC000394062035 790577110 /nfs/dbraw/zinc/57/71/10/790577110.db2.gz AMRVCHWNJNNZQU-UONOGXRCSA-N 2 1 273.421 -0.001 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)C3C[NH2+]C3)CC[C@@H]21 ZINC000405163644 790616375 /nfs/dbraw/zinc/61/63/75/790616375.db2.gz ZYZSPHHFQORBLW-PWSUYJOCSA-N 2 1 273.402 -0.296 20 0 CBADMP CN(C)S(=O)(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405449839 790618333 /nfs/dbraw/zinc/61/83/33/790618333.db2.gz XKPYHPLNRWQZQX-NXEZZACHSA-N 2 1 261.391 -0.263 20 0 CBADMP COC(=O)N(C)CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000690772395 790671477 /nfs/dbraw/zinc/67/14/77/790671477.db2.gz WVRMCIDSVHSHLP-UHFFFAOYSA-N 2 1 258.366 -0.478 20 0 CBADMP C[C@]1(CO)C[C@H](O)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000698176793 790696235 /nfs/dbraw/zinc/69/62/35/790696235.db2.gz AOCODDUHDWRBCA-YNEHKIRRSA-N 2 1 258.362 -0.739 20 0 CBADMP C[C@]1(CO)C[C@H](O)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000698176793 790696238 /nfs/dbraw/zinc/69/62/38/790696238.db2.gz AOCODDUHDWRBCA-YNEHKIRRSA-N 2 1 258.362 -0.739 20 0 CBADMP C[C@]1(CO)C[C@@H](O)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000698176780 790696692 /nfs/dbraw/zinc/69/66/92/790696692.db2.gz AOCODDUHDWRBCA-FRRDWIJNSA-N 2 1 258.362 -0.739 20 0 CBADMP C[C@]1(CO)C[C@@H](O)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000698176780 790696696 /nfs/dbraw/zinc/69/66/96/790696696.db2.gz AOCODDUHDWRBCA-FRRDWIJNSA-N 2 1 258.362 -0.739 20 0 CBADMP C[N@@H+](CCNC(=O)C[C@@H](O)C[NH3+])Cc1ccccc1 ZINC000705599633 790724894 /nfs/dbraw/zinc/72/48/94/790724894.db2.gz DVVJLNCHUUCYLZ-CYBMUJFWSA-N 2 1 265.357 -0.056 20 0 CBADMP CN1CC[NH+](CCCNC(=O)CCC2C[NH2+]C2)CC1 ZINC000709419616 790737235 /nfs/dbraw/zinc/73/72/35/790737235.db2.gz BTHLMGPPAQHTDV-UHFFFAOYSA-N 2 1 268.405 -0.260 20 0 CBADMP O[C@H](CN1CCOCC1)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000714976505 790751130 /nfs/dbraw/zinc/75/11/30/790751130.db2.gz WAPCERSMSTUPHV-RRFJBIMHSA-N 2 1 283.416 -0.247 20 0 CBADMP O[C@H](CN1CCOCC1)C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000714976505 790751140 /nfs/dbraw/zinc/75/11/40/790751140.db2.gz WAPCERSMSTUPHV-RRFJBIMHSA-N 2 1 283.416 -0.247 20 0 CBADMP COC[C@H](C)OC[C@@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720646098 790770029 /nfs/dbraw/zinc/77/00/29/790770029.db2.gz IMCRAKOBFODJLM-XDQVBPFNSA-N 2 1 272.389 -0.060 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720830462 790772261 /nfs/dbraw/zinc/77/22/61/790772261.db2.gz MRPJHPCNGZVQAI-HTQZYQBOSA-N 2 1 296.293 -0.099 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720830462 790772264 /nfs/dbraw/zinc/77/22/64/790772264.db2.gz MRPJHPCNGZVQAI-HTQZYQBOSA-N 2 1 296.293 -0.099 20 0 CBADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CN1CC[NH2+]CC1 ZINC000720892995 790772549 /nfs/dbraw/zinc/77/25/49/790772549.db2.gz ABCSAGLBUUDWTH-STQMWFEESA-N 2 1 266.389 -0.413 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000720830995 790773049 /nfs/dbraw/zinc/77/30/49/790773049.db2.gz URRXMHDVRWSSAK-RYUDHWBXSA-N 2 1 259.394 -0.405 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720904875 790774982 /nfs/dbraw/zinc/77/49/82/790774982.db2.gz XMABXWJOFKHCOQ-TUAOUCFPSA-N 2 1 254.378 -0.430 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CC[NH3+] ZINC000723887133 790803039 /nfs/dbraw/zinc/80/30/39/790803039.db2.gz QXAVPRJPUHKTDJ-VXGBXAGGSA-N 2 1 255.362 -0.238 20 0 CBADMP C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)O[C@H]1CCOC1 ZINC000724930052 790813582 /nfs/dbraw/zinc/81/35/82/790813582.db2.gz GDUZYRVBJFXIHL-KGLIPLIRSA-N 2 1 269.389 -0.229 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CCCO1 ZINC000724591489 790807844 /nfs/dbraw/zinc/80/78/44/790807844.db2.gz PFKLLMUHUGTJEG-RVMXOQNASA-N 2 1 256.346 -0.160 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CCCO1 ZINC000724591489 790807855 /nfs/dbraw/zinc/80/78/55/790807855.db2.gz PFKLLMUHUGTJEG-RVMXOQNASA-N 2 1 256.346 -0.160 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000822123735 790831973 /nfs/dbraw/zinc/83/19/73/790831973.db2.gz CEASEBKHDYZLKG-LBPRGKRZSA-N 2 1 254.378 -0.508 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000828752930 790894890 /nfs/dbraw/zinc/89/48/90/790894890.db2.gz ROFZMYZNULJECN-GZBFAFLISA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000828752930 790894901 /nfs/dbraw/zinc/89/49/01/790894901.db2.gz ROFZMYZNULJECN-GZBFAFLISA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000828752930 790894914 /nfs/dbraw/zinc/89/49/14/790894914.db2.gz ROFZMYZNULJECN-GZBFAFLISA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000828752930 790894927 /nfs/dbraw/zinc/89/49/27/790894927.db2.gz ROFZMYZNULJECN-GZBFAFLISA-N 2 1 299.415 -0.596 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)C[C@H]1CC[NH+](C)C1 ZINC000912598124 790915130 /nfs/dbraw/zinc/91/51/30/790915130.db2.gz BVZJAYGYYDTKMD-GFCCVEGCSA-N 2 1 257.378 -0.289 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000912598124 790915138 /nfs/dbraw/zinc/91/51/38/790915138.db2.gz BVZJAYGYYDTKMD-GFCCVEGCSA-N 2 1 257.378 -0.289 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000912598124 790915144 /nfs/dbraw/zinc/91/51/44/790915144.db2.gz BVZJAYGYYDTKMD-GFCCVEGCSA-N 2 1 257.378 -0.289 20 0 CBADMP C[NH+](C)C1CC(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000908011202 790912735 /nfs/dbraw/zinc/91/27/35/790912735.db2.gz COEVPMVXBFWLHK-KMFOADKKSA-N 2 1 255.362 -0.350 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001021906426 790968244 /nfs/dbraw/zinc/96/82/44/790968244.db2.gz NVQHFIYDRUVWJG-UKKRHICBSA-N 2 1 268.361 -0.809 20 0 CBADMP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001021904766 790969662 /nfs/dbraw/zinc/96/96/62/790969662.db2.gz CLDPZTYMWPRUDL-YVECIDJPSA-N 2 1 294.399 -0.452 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCOC3)C2)C1 ZINC001021928529 790972089 /nfs/dbraw/zinc/97/20/89/790972089.db2.gz RHBQQPNASNDPMM-YIYPIFLZSA-N 2 1 297.399 -0.410 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCOC3)C2)C1 ZINC001021928529 790972100 /nfs/dbraw/zinc/97/21/00/790972100.db2.gz RHBQQPNASNDPMM-YIYPIFLZSA-N 2 1 297.399 -0.410 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCOC3)C2)C1 ZINC001021928527 790972131 /nfs/dbraw/zinc/97/21/31/790972131.db2.gz RHBQQPNASNDPMM-MQYQWHSLSA-N 2 1 297.399 -0.410 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCOC3)C2)C1 ZINC001021928527 790972141 /nfs/dbraw/zinc/97/21/41/790972141.db2.gz RHBQQPNASNDPMM-MQYQWHSLSA-N 2 1 297.399 -0.410 20 0 CBADMP 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 790991127 /nfs/dbraw/zinc/99/11/27/790991127.db2.gz KCLDKVUBBFUTQL-LBELIVKGSA-N 2 1 294.399 -0.548 20 0 CBADMP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001022275869 791002321 /nfs/dbraw/zinc/00/23/21/791002321.db2.gz UDJUGEOBXPGZKF-WISYIIOYSA-N 2 1 255.362 -0.038 20 0 CBADMP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001022275869 791002332 /nfs/dbraw/zinc/00/23/32/791002332.db2.gz UDJUGEOBXPGZKF-WISYIIOYSA-N 2 1 255.362 -0.038 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001022593120 791029141 /nfs/dbraw/zinc/02/91/41/791029141.db2.gz IHSUQOZZMOVWST-FQUUOJAGSA-N 2 1 299.415 -0.287 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001022593120 791029153 /nfs/dbraw/zinc/02/91/53/791029153.db2.gz IHSUQOZZMOVWST-FQUUOJAGSA-N 2 1 299.415 -0.287 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)C(N)=O ZINC001022712254 791040380 /nfs/dbraw/zinc/04/03/80/791040380.db2.gz NNWHXSVFUYXVPQ-KXNHARMFSA-N 2 1 282.388 -0.419 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CCCF)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077007590 805670746 /nfs/dbraw/zinc/67/07/46/805670746.db2.gz TWSIUIJEODEWAE-BFHYXJOUSA-N 2 1 299.390 -0.151 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077007527 805672132 /nfs/dbraw/zinc/67/21/32/805672132.db2.gz QFHXJYWJNASPOP-RRFJBIMHSA-N 2 1 293.411 -0.101 20 0 CBADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077091135 805683860 /nfs/dbraw/zinc/68/38/60/805683860.db2.gz NKFGKOPQCXPNQJ-FRRDWIJNSA-N 2 1 285.388 -0.986 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077091135 805683865 /nfs/dbraw/zinc/68/38/65/805683865.db2.gz NKFGKOPQCXPNQJ-FRRDWIJNSA-N 2 1 285.388 -0.986 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077091135 805683869 /nfs/dbraw/zinc/68/38/69/805683869.db2.gz NKFGKOPQCXPNQJ-FRRDWIJNSA-N 2 1 285.388 -0.986 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077091135 805683874 /nfs/dbraw/zinc/68/38/74/805683874.db2.gz NKFGKOPQCXPNQJ-FRRDWIJNSA-N 2 1 285.388 -0.986 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299157 805716687 /nfs/dbraw/zinc/71/66/87/805716687.db2.gz RSTHAAJOSFECOT-CHWSQXEVSA-N 2 1 297.399 -0.842 20 0 CBADMP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299157 805716693 /nfs/dbraw/zinc/71/66/93/805716693.db2.gz RSTHAAJOSFECOT-CHWSQXEVSA-N 2 1 297.399 -0.842 20 0 CBADMP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077394779 805724678 /nfs/dbraw/zinc/72/46/78/805724678.db2.gz CYNHOBQZFODSRC-YNEHKIRRSA-N 2 1 296.371 -0.612 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077394779 805724687 /nfs/dbraw/zinc/72/46/87/805724687.db2.gz CYNHOBQZFODSRC-YNEHKIRRSA-N 2 1 296.371 -0.612 20 0 CBADMP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077583925 805750328 /nfs/dbraw/zinc/75/03/28/805750328.db2.gz UGQLCWXACXGKOS-IACUBPJLSA-N 2 1 292.383 -0.065 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077583925 805750338 /nfs/dbraw/zinc/75/03/38/805750338.db2.gz UGQLCWXACXGKOS-IACUBPJLSA-N 2 1 292.383 -0.065 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618252 805757436 /nfs/dbraw/zinc/75/74/36/805757436.db2.gz CZEOVENHFKDSST-MRVWCRGKSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001077676733 805767905 /nfs/dbraw/zinc/76/79/05/805767905.db2.gz HIOARCNKMKHRGV-YNEHKIRRSA-N 2 1 287.379 -0.008 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001077676733 805767912 /nfs/dbraw/zinc/76/79/12/805767912.db2.gz HIOARCNKMKHRGV-YNEHKIRRSA-N 2 1 287.379 -0.008 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001077676733 805767918 /nfs/dbraw/zinc/76/79/18/805767918.db2.gz HIOARCNKMKHRGV-YNEHKIRRSA-N 2 1 287.379 -0.008 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCF)C[C@H]2O)C1 ZINC001077679075 805767466 /nfs/dbraw/zinc/76/74/66/805767466.db2.gz GLBJDYACMKOKGF-JHJVBQTASA-N 2 1 287.379 -0.151 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)C1 ZINC001077679075 805767468 /nfs/dbraw/zinc/76/74/68/805767468.db2.gz GLBJDYACMKOKGF-JHJVBQTASA-N 2 1 287.379 -0.151 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)C1 ZINC001077679075 805767471 /nfs/dbraw/zinc/76/74/71/805767471.db2.gz GLBJDYACMKOKGF-JHJVBQTASA-N 2 1 287.379 -0.151 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147886367 814925307 /nfs/dbraw/zinc/92/53/07/814925307.db2.gz VKAIJXOEBOXIJZ-MNOVXSKESA-N 2 1 270.377 -0.832 20 0 CBADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC1 ZINC001077778961 805783782 /nfs/dbraw/zinc/78/37/82/805783782.db2.gz ACZVYOGZUUUQLJ-ZIAGYGMSSA-N 2 1 299.415 -0.738 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012822 805824125 /nfs/dbraw/zinc/82/41/25/805824125.db2.gz CFJISMAYZBTAMP-YNEHKIRRSA-N 2 1 297.399 -0.722 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012821 805822814 /nfs/dbraw/zinc/82/28/14/805822814.db2.gz CFJISMAYZBTAMP-JHJVBQTASA-N 2 1 297.399 -0.722 20 0 CBADMP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001078206254 805856784 /nfs/dbraw/zinc/85/67/84/805856784.db2.gz VFHCKJCJUOJYLQ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001078206254 805856795 /nfs/dbraw/zinc/85/67/95/805856795.db2.gz VFHCKJCJUOJYLQ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001078206254 805856804 /nfs/dbraw/zinc/85/68/04/805856804.db2.gz VFHCKJCJUOJYLQ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001078206254 805856814 /nfs/dbraw/zinc/85/68/14/805856814.db2.gz VFHCKJCJUOJYLQ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2O)C1 ZINC001078206013 805857227 /nfs/dbraw/zinc/85/72/27/805857227.db2.gz LWIDXHIADSWEHI-JHJVBQTASA-N 2 1 285.388 -0.723 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2O)C1 ZINC001078206013 805857234 /nfs/dbraw/zinc/85/72/34/805857234.db2.gz LWIDXHIADSWEHI-JHJVBQTASA-N 2 1 285.388 -0.723 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2O)C1 ZINC001078206013 805857242 /nfs/dbraw/zinc/85/72/42/805857242.db2.gz LWIDXHIADSWEHI-JHJVBQTASA-N 2 1 285.388 -0.723 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2O)C1 ZINC001078206013 805857252 /nfs/dbraw/zinc/85/72/52/805857252.db2.gz LWIDXHIADSWEHI-JHJVBQTASA-N 2 1 285.388 -0.723 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)nn1 ZINC001147977898 814928032 /nfs/dbraw/zinc/92/80/32/814928032.db2.gz ZIFFDTZZQVEIMD-UHFFFAOYSA-N 2 1 278.360 -0.883 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2C)C1 ZINC001080976570 806020473 /nfs/dbraw/zinc/02/04/73/806020473.db2.gz AWAUKNJSLABYJC-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2C)C1 ZINC001080976570 806020485 /nfs/dbraw/zinc/02/04/85/806020485.db2.gz AWAUKNJSLABYJC-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2C)C1 ZINC001080976570 806020491 /nfs/dbraw/zinc/02/04/91/806020491.db2.gz AWAUKNJSLABYJC-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2C)C1 ZINC001080976570 806020500 /nfs/dbraw/zinc/02/05/00/806020500.db2.gz AWAUKNJSLABYJC-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081446090 806083105 /nfs/dbraw/zinc/08/31/05/806083105.db2.gz OVLWFULEPQTXHK-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081446090 806083113 /nfs/dbraw/zinc/08/31/13/806083113.db2.gz OVLWFULEPQTXHK-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081446090 806083122 /nfs/dbraw/zinc/08/31/22/806083122.db2.gz OVLWFULEPQTXHK-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081446090 806083128 /nfs/dbraw/zinc/08/31/28/806083128.db2.gz OVLWFULEPQTXHK-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1OC ZINC001081766795 806121628 /nfs/dbraw/zinc/12/16/28/806121628.db2.gz DKDXCQNDTMCILY-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1OC ZINC001081766795 806121633 /nfs/dbraw/zinc/12/16/33/806121633.db2.gz DKDXCQNDTMCILY-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC ZINC001081766795 806121637 /nfs/dbraw/zinc/12/16/37/806121637.db2.gz DKDXCQNDTMCILY-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001081766795 806121642 /nfs/dbraw/zinc/12/16/42/806121642.db2.gz DKDXCQNDTMCILY-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)nn1 ZINC001147995084 814929017 /nfs/dbraw/zinc/92/90/17/814929017.db2.gz YGKPCRKLBOFQLB-UHFFFAOYSA-N 2 1 292.387 -0.400 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001082057881 806143372 /nfs/dbraw/zinc/14/33/72/806143372.db2.gz HLKSPPFRKGJIBS-MGPQQGTHSA-N 2 1 299.415 -0.069 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001082057881 806143375 /nfs/dbraw/zinc/14/33/75/806143375.db2.gz HLKSPPFRKGJIBS-MGPQQGTHSA-N 2 1 299.415 -0.069 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001082057881 806143378 /nfs/dbraw/zinc/14/33/78/806143378.db2.gz HLKSPPFRKGJIBS-MGPQQGTHSA-N 2 1 299.415 -0.069 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001082057881 806143382 /nfs/dbraw/zinc/14/33/82/806143382.db2.gz HLKSPPFRKGJIBS-MGPQQGTHSA-N 2 1 299.415 -0.069 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133691 806148208 /nfs/dbraw/zinc/14/82/08/806148208.db2.gz MPSNJKMXAOEARE-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCN1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082133871 806149354 /nfs/dbraw/zinc/14/93/54/806149354.db2.gz UANGGCVCVLLVAR-BFHYXJOUSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082133871 806149358 /nfs/dbraw/zinc/14/93/58/806149358.db2.gz UANGGCVCVLLVAR-BFHYXJOUSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082133871 806149365 /nfs/dbraw/zinc/14/93/65/806149365.db2.gz UANGGCVCVLLVAR-BFHYXJOUSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082133871 806149377 /nfs/dbraw/zinc/14/93/77/806149377.db2.gz UANGGCVCVLLVAR-BFHYXJOUSA-N 2 1 299.415 -0.068 20 0 CBADMP COCCN1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082132686 806149405 /nfs/dbraw/zinc/14/94/05/806149405.db2.gz NIAATVVDKFZUMG-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082132686 806149409 /nfs/dbraw/zinc/14/94/09/806149409.db2.gz NIAATVVDKFZUMG-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082132686 806149414 /nfs/dbraw/zinc/14/94/14/806149414.db2.gz NIAATVVDKFZUMG-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082132686 806149426 /nfs/dbraw/zinc/14/94/26/806149426.db2.gz NIAATVVDKFZUMG-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369058 806169656 /nfs/dbraw/zinc/16/96/56/806169656.db2.gz WSFAIIZZPKHAEO-YNEHKIRRSA-N 2 1 285.388 -0.600 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082369058 806169664 /nfs/dbraw/zinc/16/96/64/806169664.db2.gz WSFAIIZZPKHAEO-YNEHKIRRSA-N 2 1 285.388 -0.600 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082369058 806169670 /nfs/dbraw/zinc/16/96/70/806169670.db2.gz WSFAIIZZPKHAEO-YNEHKIRRSA-N 2 1 285.388 -0.600 20 0 CBADMP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082372073 806170252 /nfs/dbraw/zinc/17/02/52/806170252.db2.gz RGVJINPAJLNDNF-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082372073 806170256 /nfs/dbraw/zinc/17/02/56/806170256.db2.gz RGVJINPAJLNDNF-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370049 806171558 /nfs/dbraw/zinc/17/15/58/806171558.db2.gz PUJUXPXNUTYRFW-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370049 806171563 /nfs/dbraw/zinc/17/15/63/806171563.db2.gz PUJUXPXNUTYRFW-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082448502 806179032 /nfs/dbraw/zinc/17/90/32/806179032.db2.gz SWNAXCZHNVLHDB-GMTAPVOTSA-N 2 1 268.361 -0.998 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCO ZINC001082921128 806198248 /nfs/dbraw/zinc/19/82/48/806198248.db2.gz XUGAVDQFLJIRSX-GRYCIOLGSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1cnon1 ZINC001082921028 806198552 /nfs/dbraw/zinc/19/85/52/806198552.db2.gz RBXAQSWVMZHJMD-NTZNESFSSA-N 2 1 293.371 -0.042 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1cnon1 ZINC001082921028 806198556 /nfs/dbraw/zinc/19/85/56/806198556.db2.gz RBXAQSWVMZHJMD-NTZNESFSSA-N 2 1 293.371 -0.042 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)C1 ZINC001083192555 806235480 /nfs/dbraw/zinc/23/54/80/806235480.db2.gz GLWQDNHNTGOKCR-HZSPNIEDSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)C1 ZINC001083192555 806235488 /nfs/dbraw/zinc/23/54/88/806235488.db2.gz GLWQDNHNTGOKCR-HZSPNIEDSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1 ZINC001083192555 806235494 /nfs/dbraw/zinc/23/54/94/806235494.db2.gz GLWQDNHNTGOKCR-HZSPNIEDSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1 ZINC001083192555 806235504 /nfs/dbraw/zinc/23/55/04/806235504.db2.gz GLWQDNHNTGOKCR-HZSPNIEDSA-N 2 1 297.399 -0.768 20 0 CBADMP CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001083224505 806239533 /nfs/dbraw/zinc/23/95/33/806239533.db2.gz BWCYOMUZIBZQNB-UONOGXRCSA-N 2 1 297.399 -0.360 20 0 CBADMP CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001083224505 806239545 /nfs/dbraw/zinc/23/95/45/806239545.db2.gz BWCYOMUZIBZQNB-UONOGXRCSA-N 2 1 297.399 -0.360 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)C1 ZINC001083248217 806241249 /nfs/dbraw/zinc/24/12/49/806241249.db2.gz WXSICRNKASCKOI-MELADBBJSA-N 2 1 297.399 -0.768 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)C1 ZINC001083248217 806241255 /nfs/dbraw/zinc/24/12/55/806241255.db2.gz WXSICRNKASCKOI-MELADBBJSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1 ZINC001083248217 806241260 /nfs/dbraw/zinc/24/12/60/806241260.db2.gz WXSICRNKASCKOI-MELADBBJSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1 ZINC001083248217 806241268 /nfs/dbraw/zinc/24/12/68/806241268.db2.gz WXSICRNKASCKOI-MELADBBJSA-N 2 1 297.399 -0.768 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@@H]2O)C1 ZINC001083385254 806296912 /nfs/dbraw/zinc/29/69/12/806296912.db2.gz IOZXPBRCDRRWMG-HZSPNIEDSA-N 2 1 297.399 -0.722 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@@H]2O)C1 ZINC001083385254 806296919 /nfs/dbraw/zinc/29/69/19/806296919.db2.gz IOZXPBRCDRRWMG-HZSPNIEDSA-N 2 1 297.399 -0.722 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2O)C1 ZINC001083385254 806296926 /nfs/dbraw/zinc/29/69/26/806296926.db2.gz IOZXPBRCDRRWMG-HZSPNIEDSA-N 2 1 297.399 -0.722 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2O)C1 ZINC001083385254 806296927 /nfs/dbraw/zinc/29/69/27/806296927.db2.gz IOZXPBRCDRRWMG-HZSPNIEDSA-N 2 1 297.399 -0.722 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083465809 806335871 /nfs/dbraw/zinc/33/58/71/806335871.db2.gz TWSIUIJEODEWAE-MJBXVCDLSA-N 2 1 299.390 -0.151 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465910 806337515 /nfs/dbraw/zinc/33/75/15/806337515.db2.gz XTRNWJILSURUJN-MJBXVCDLSA-N 2 1 297.399 -0.864 20 0 CBADMP CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565090 806369463 /nfs/dbraw/zinc/36/94/63/806369463.db2.gz AILKIBIWEJNFQI-YIYPIFLZSA-N 2 1 299.415 -0.333 20 0 CBADMP CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565090 806369438 /nfs/dbraw/zinc/36/94/38/806369438.db2.gz AILKIBIWEJNFQI-YIYPIFLZSA-N 2 1 299.415 -0.333 20 0 CBADMP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565090 806369447 /nfs/dbraw/zinc/36/94/47/806369447.db2.gz AILKIBIWEJNFQI-YIYPIFLZSA-N 2 1 299.415 -0.333 20 0 CBADMP CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565090 806369456 /nfs/dbraw/zinc/36/94/56/806369456.db2.gz AILKIBIWEJNFQI-YIYPIFLZSA-N 2 1 299.415 -0.333 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601858 806382702 /nfs/dbraw/zinc/38/27/02/806382702.db2.gz REQCJGFODGQUHI-OLZOCXBDSA-N 2 1 297.399 -0.578 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601858 806382707 /nfs/dbraw/zinc/38/27/07/806382707.db2.gz REQCJGFODGQUHI-OLZOCXBDSA-N 2 1 297.399 -0.578 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083696176 806404134 /nfs/dbraw/zinc/40/41/34/806404134.db2.gz NBZVYMMRGRZOCZ-OLZOCXBDSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083696176 806404137 /nfs/dbraw/zinc/40/41/37/806404137.db2.gz NBZVYMMRGRZOCZ-OLZOCXBDSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750121 806421448 /nfs/dbraw/zinc/42/14/48/806421448.db2.gz GVQXSFCGMFPURG-BNOWGMLFSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2O)C1 ZINC001083780677 806431114 /nfs/dbraw/zinc/43/11/14/806431114.db2.gz GLBJDYACMKOKGF-XQQFMLRXSA-N 2 1 287.379 -0.151 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2O)C1 ZINC001083780677 806431118 /nfs/dbraw/zinc/43/11/18/806431118.db2.gz GLBJDYACMKOKGF-XQQFMLRXSA-N 2 1 287.379 -0.151 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)C1 ZINC001083780677 806431122 /nfs/dbraw/zinc/43/11/22/806431122.db2.gz GLBJDYACMKOKGF-XQQFMLRXSA-N 2 1 287.379 -0.151 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058399 806484204 /nfs/dbraw/zinc/48/42/04/806484204.db2.gz ZBYHZFJJWYLOOB-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058399 806484207 /nfs/dbraw/zinc/48/42/07/806484207.db2.gz ZBYHZFJJWYLOOB-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(C)C)C[C@@H]2O)C1 ZINC001084079152 806486170 /nfs/dbraw/zinc/48/61/70/806486170.db2.gz YCGOLIADWFYVMV-HZSPNIEDSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(C)C)C[C@@H]2O)C1 ZINC001084079152 806486175 /nfs/dbraw/zinc/48/61/75/806486175.db2.gz YCGOLIADWFYVMV-HZSPNIEDSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC(C)C)C[C@@H]2O)C1 ZINC001084079152 806486179 /nfs/dbraw/zinc/48/61/79/806486179.db2.gz YCGOLIADWFYVMV-HZSPNIEDSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(C)C)C[C@@H]2O)C1 ZINC001084079152 806486184 /nfs/dbraw/zinc/48/61/84/806486184.db2.gz YCGOLIADWFYVMV-HZSPNIEDSA-N 2 1 299.415 -0.476 20 0 CBADMP CNC(=O)C[N@@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148161297 814931587 /nfs/dbraw/zinc/93/15/87/814931587.db2.gz RYXCJBFWUGZGGQ-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CNC(=O)C[N@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148161297 814931588 /nfs/dbraw/zinc/93/15/88/814931588.db2.gz RYXCJBFWUGZGGQ-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCCO)C[C@H]32)C1 ZINC001084831390 806538130 /nfs/dbraw/zinc/53/81/30/806538130.db2.gz JPRODHKNQKUYPO-MGPQQGTHSA-N 2 1 281.400 -0.147 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCO)[C@H]2C1 ZINC001084905730 806542118 /nfs/dbraw/zinc/54/21/18/806542118.db2.gz KNXIXCZULOHCNE-RDBSUJKOSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001084905730 806542122 /nfs/dbraw/zinc/54/21/22/806542122.db2.gz KNXIXCZULOHCNE-RDBSUJKOSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001084905730 806542124 /nfs/dbraw/zinc/54/21/24/806542124.db2.gz KNXIXCZULOHCNE-RDBSUJKOSA-N 2 1 281.400 -0.004 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1)[NH+](C)C ZINC001085035352 806545562 /nfs/dbraw/zinc/54/55/62/806545562.db2.gz RXPXRCNGVKHFOH-AGIUHOORSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1)[NH+](C)C ZINC001085035352 806545570 /nfs/dbraw/zinc/54/55/70/806545570.db2.gz RXPXRCNGVKHFOH-AGIUHOORSA-N 2 1 296.415 -0.265 20 0 CBADMP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@H]1CCC[NH+]1C ZINC001085519851 806570112 /nfs/dbraw/zinc/57/01/12/806570112.db2.gz ZAZANMJTLOJFTI-VXGBXAGGSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@H]1CCC[NH+]1C ZINC001085519851 806570123 /nfs/dbraw/zinc/57/01/23/806570123.db2.gz ZAZANMJTLOJFTI-VXGBXAGGSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001085519851 806570132 /nfs/dbraw/zinc/57/01/32/806570132.db2.gz ZAZANMJTLOJFTI-VXGBXAGGSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001085519851 806570142 /nfs/dbraw/zinc/57/01/42/806570142.db2.gz ZAZANMJTLOJFTI-VXGBXAGGSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCCO)C(=O)C12CC[NH+](CC1)C2 ZINC001085928005 806622363 /nfs/dbraw/zinc/62/23/63/806622363.db2.gz LQMGMHPGIWWTRU-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927760 806622668 /nfs/dbraw/zinc/62/26/68/806622668.db2.gz GILXMTVTSOOURI-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)C12CC[NH+](CC1)C2 ZINC001085928006 806623409 /nfs/dbraw/zinc/62/34/09/806623409.db2.gz LQMGMHPGIWWTRU-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086047351 806639070 /nfs/dbraw/zinc/63/90/70/806639070.db2.gz NLDVMKVOWUBUIO-TUAOUCFPSA-N 2 1 255.362 -0.443 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001086047067 806639124 /nfs/dbraw/zinc/63/91/24/806639124.db2.gz CSFVMNXUUGOETQ-NNYUYHANSA-N 2 1 282.388 -0.561 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001086047521 806639623 /nfs/dbraw/zinc/63/96/23/806639623.db2.gz TTYQTFBAADPRSV-RNJOBUHISA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086052506 806640861 /nfs/dbraw/zinc/64/08/61/806640861.db2.gz MQKNFSISLPDFFQ-RVMXOQNASA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086052506 806640864 /nfs/dbraw/zinc/64/08/64/806640864.db2.gz MQKNFSISLPDFFQ-RVMXOQNASA-N 2 1 285.388 -0.818 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001022976638 798870689 /nfs/dbraw/zinc/87/06/89/798870689.db2.gz CMZLSADQFOBLER-NDBYEHHHSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001023086670 798879775 /nfs/dbraw/zinc/87/97/75/798879775.db2.gz SZASUUBNTYJYKE-YFKTTZPYSA-N 2 1 282.388 -0.561 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001023084273 798880379 /nfs/dbraw/zinc/88/03/79/798880379.db2.gz MGFXMIQPCDJXIH-UTUOFQBUSA-N 2 1 292.387 -0.496 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023084273 798880384 /nfs/dbraw/zinc/88/03/84/798880384.db2.gz MGFXMIQPCDJXIH-UTUOFQBUSA-N 2 1 292.387 -0.496 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001023090452 798881707 /nfs/dbraw/zinc/88/17/07/798881707.db2.gz PUVYQPCYVDGFGW-PHIMTYICSA-N 2 1 279.344 -0.098 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCO)C1 ZINC001023275158 798897333 /nfs/dbraw/zinc/89/73/33/798897333.db2.gz HJBLTKPQEYEYSV-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001023275158 798897337 /nfs/dbraw/zinc/89/73/37/798897337.db2.gz HJBLTKPQEYEYSV-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001023275158 798897340 /nfs/dbraw/zinc/89/73/40/798897340.db2.gz HJBLTKPQEYEYSV-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001023273506 798898485 /nfs/dbraw/zinc/89/84/85/798898485.db2.gz NGXIYPWMBVMBTR-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001023273506 798898489 /nfs/dbraw/zinc/89/84/89/798898489.db2.gz NGXIYPWMBVMBTR-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001023273506 798898494 /nfs/dbraw/zinc/89/84/94/798898494.db2.gz NGXIYPWMBVMBTR-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001023273506 798898498 /nfs/dbraw/zinc/89/84/98/798898498.db2.gz NGXIYPWMBVMBTR-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001023569841 798913254 /nfs/dbraw/zinc/91/32/54/798913254.db2.gz ULQFHHRESWEVPV-LBPRGKRZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001023569841 798913259 /nfs/dbraw/zinc/91/32/59/798913259.db2.gz ULQFHHRESWEVPV-LBPRGKRZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001023747010 798920170 /nfs/dbraw/zinc/92/01/70/798920170.db2.gz XZESKNYMUJNFHP-RYUDHWBXSA-N 2 1 282.388 -0.748 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001023747010 798920175 /nfs/dbraw/zinc/92/01/75/798920175.db2.gz XZESKNYMUJNFHP-RYUDHWBXSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001023747010 798920179 /nfs/dbraw/zinc/92/01/79/798920179.db2.gz XZESKNYMUJNFHP-RYUDHWBXSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001023747010 798920186 /nfs/dbraw/zinc/92/01/86/798920186.db2.gz XZESKNYMUJNFHP-RYUDHWBXSA-N 2 1 282.388 -0.748 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023744101 798920356 /nfs/dbraw/zinc/92/03/56/798920356.db2.gz INKWJDCYODRQPL-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023744101 798920352 /nfs/dbraw/zinc/92/03/52/798920352.db2.gz INKWJDCYODRQPL-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023744101 798920361 /nfs/dbraw/zinc/92/03/61/798920361.db2.gz INKWJDCYODRQPL-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP O=C(NC[C@@H]1CCC[N@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001023703166 798920386 /nfs/dbraw/zinc/92/03/86/798920386.db2.gz BSQHEUQWRRXIOC-ZDUSSCGKSA-N 2 1 281.400 -0.097 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCCO)C1 ZINC001024376150 798934201 /nfs/dbraw/zinc/93/42/01/798934201.db2.gz ZLPSDPVUQIVJNS-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCCO)C1 ZINC001024376150 798934204 /nfs/dbraw/zinc/93/42/04/798934204.db2.gz ZLPSDPVUQIVJNS-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCCO)C1 ZINC001024376150 798934206 /nfs/dbraw/zinc/93/42/06/798934206.db2.gz ZLPSDPVUQIVJNS-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCCO)C1 ZINC001024376150 798934208 /nfs/dbraw/zinc/93/42/08/798934208.db2.gz ZLPSDPVUQIVJNS-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001025707988 798971006 /nfs/dbraw/zinc/97/10/06/798971006.db2.gz HDAHCSFMGKEUDG-HHHUOAJASA-N 2 1 280.372 -0.999 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001025707988 798971011 /nfs/dbraw/zinc/97/10/11/798971011.db2.gz HDAHCSFMGKEUDG-HHHUOAJASA-N 2 1 280.372 -0.999 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001025707988 798971014 /nfs/dbraw/zinc/97/10/14/798971014.db2.gz HDAHCSFMGKEUDG-HHHUOAJASA-N 2 1 280.372 -0.999 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001025707988 798971018 /nfs/dbraw/zinc/97/10/18/798971018.db2.gz HDAHCSFMGKEUDG-HHHUOAJASA-N 2 1 280.372 -0.999 20 0 CBADMP 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 798971127 /nfs/dbraw/zinc/97/11/27/798971127.db2.gz IBCZPPDLIUJKAD-OBPIAQAESA-N 2 1 294.399 -0.609 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001025707994 798971130 /nfs/dbraw/zinc/97/11/30/798971130.db2.gz IBCZPPDLIUJKAD-OBPIAQAESA-N 2 1 294.399 -0.609 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001025707994 798971133 /nfs/dbraw/zinc/97/11/33/798971133.db2.gz IBCZPPDLIUJKAD-OBPIAQAESA-N 2 1 294.399 -0.609 20 0 CBADMP 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 798972541 /nfs/dbraw/zinc/97/25/41/798972541.db2.gz FCKCCKMHBQAIPP-MLGHIDQZSA-N 2 1 292.383 -0.985 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025707969 798972546 /nfs/dbraw/zinc/97/25/46/798972546.db2.gz FCKCCKMHBQAIPP-MLGHIDQZSA-N 2 1 292.383 -0.985 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025707969 798972548 /nfs/dbraw/zinc/97/25/48/798972548.db2.gz FCKCCKMHBQAIPP-MLGHIDQZSA-N 2 1 292.383 -0.985 20 0 CBADMP 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 798977104 /nfs/dbraw/zinc/97/71/04/798977104.db2.gz OKIZDJQWQJOAGE-GMDXDWKASA-N 2 1 281.400 -0.246 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001025794041 798977106 /nfs/dbraw/zinc/97/71/06/798977106.db2.gz OKIZDJQWQJOAGE-GMDXDWKASA-N 2 1 281.400 -0.246 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001025794041 798977110 /nfs/dbraw/zinc/97/71/10/798977110.db2.gz OKIZDJQWQJOAGE-GMDXDWKASA-N 2 1 281.400 -0.246 20 0 CBADMP 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 798987832 /nfs/dbraw/zinc/98/78/32/798987832.db2.gz HPAVQEROUWGCCG-QSLWVIQJSA-N 2 1 281.400 -0.387 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001026045550 798987834 /nfs/dbraw/zinc/98/78/34/798987834.db2.gz HPAVQEROUWGCCG-QSLWVIQJSA-N 2 1 281.400 -0.387 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001026045550 798987835 /nfs/dbraw/zinc/98/78/35/798987835.db2.gz HPAVQEROUWGCCG-QSLWVIQJSA-N 2 1 281.400 -0.387 20 0 CBADMP 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 798991004 /nfs/dbraw/zinc/99/10/04/798991004.db2.gz OCHNKNBVPZUHJJ-JZRPKSSGSA-N 2 1 267.373 -0.635 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001026145830 798991008 /nfs/dbraw/zinc/99/10/08/798991008.db2.gz OCHNKNBVPZUHJJ-JZRPKSSGSA-N 2 1 267.373 -0.635 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001026145830 798991015 /nfs/dbraw/zinc/99/10/15/798991015.db2.gz OCHNKNBVPZUHJJ-JZRPKSSGSA-N 2 1 267.373 -0.635 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026464655 799005836 /nfs/dbraw/zinc/00/58/36/799005836.db2.gz PFVBFNCUZHUBDL-MCIGGMRASA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026561359 799009672 /nfs/dbraw/zinc/00/96/72/799009672.db2.gz XTPCSNUPTBLJEG-HIFPTAJRSA-N 2 1 296.415 -0.027 20 0 CBADMP CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001026749283 799020716 /nfs/dbraw/zinc/02/07/16/799020716.db2.gz DXHJVFGQHKZGHU-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001026749283 799020719 /nfs/dbraw/zinc/02/07/19/799020719.db2.gz DXHJVFGQHKZGHU-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027333837 799040786 /nfs/dbraw/zinc/04/07/86/799040786.db2.gz DDUUODAMEVUEGR-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001027333837 799040791 /nfs/dbraw/zinc/04/07/91/799040791.db2.gz DDUUODAMEVUEGR-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001027333837 799040798 /nfs/dbraw/zinc/04/07/98/799040798.db2.gz DDUUODAMEVUEGR-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027346483 799042262 /nfs/dbraw/zinc/04/22/62/799042262.db2.gz IDKLPFHXAOVGTB-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027346483 799042268 /nfs/dbraw/zinc/04/22/68/799042268.db2.gz IDKLPFHXAOVGTB-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001027346483 799042277 /nfs/dbraw/zinc/04/22/77/799042277.db2.gz IDKLPFHXAOVGTB-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001027346483 799042281 /nfs/dbraw/zinc/04/22/81/799042281.db2.gz IDKLPFHXAOVGTB-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CC(N)=O)C2)CC[N@@H+]1C ZINC001027416310 799047126 /nfs/dbraw/zinc/04/71/26/799047126.db2.gz DRDSRVOORLOJRP-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CC(N)=O)C2)CC[N@H+]1C ZINC001027416310 799047132 /nfs/dbraw/zinc/04/71/32/799047132.db2.gz DRDSRVOORLOJRP-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC001027416310 799047136 /nfs/dbraw/zinc/04/71/36/799047136.db2.gz DRDSRVOORLOJRP-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC001027416310 799047142 /nfs/dbraw/zinc/04/71/42/799047142.db2.gz DRDSRVOORLOJRP-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1)C1CC1 ZINC001027443782 799049153 /nfs/dbraw/zinc/04/91/53/799049153.db2.gz OBQJOCFBNLPGHG-GXTWGEPZSA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1)C1CC1 ZINC001027443782 799049160 /nfs/dbraw/zinc/04/91/60/799049160.db2.gz OBQJOCFBNLPGHG-GXTWGEPZSA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1)C1CC1 ZINC001027443784 799049186 /nfs/dbraw/zinc/04/91/86/799049186.db2.gz OBQJOCFBNLPGHG-OCCSQVGLSA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1)C1CC1 ZINC001027443784 799049190 /nfs/dbraw/zinc/04/91/90/799049190.db2.gz OBQJOCFBNLPGHG-OCCSQVGLSA-N 2 1 296.415 -0.265 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027465446 799050927 /nfs/dbraw/zinc/05/09/27/799050927.db2.gz OAMTWBCKXSKZTF-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027465446 799050928 /nfs/dbraw/zinc/05/09/28/799050928.db2.gz OAMTWBCKXSKZTF-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001027465446 799050931 /nfs/dbraw/zinc/05/09/31/799050931.db2.gz OAMTWBCKXSKZTF-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001027465446 799050932 /nfs/dbraw/zinc/05/09/32/799050932.db2.gz OAMTWBCKXSKZTF-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+](C)CC(N)=O)C2)C1 ZINC001027575757 799057768 /nfs/dbraw/zinc/05/77/68/799057768.db2.gz DJNNBMLFUDIMRO-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH+](C)CC(N)=O)C2)C1 ZINC001027575757 799057778 /nfs/dbraw/zinc/05/77/78/799057778.db2.gz DJNNBMLFUDIMRO-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)C1 ZINC001027575757 799057784 /nfs/dbraw/zinc/05/77/84/799057784.db2.gz DJNNBMLFUDIMRO-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC001027575757 799057790 /nfs/dbraw/zinc/05/77/90/799057790.db2.gz DJNNBMLFUDIMRO-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027650985 799062189 /nfs/dbraw/zinc/06/21/89/799062189.db2.gz HJRORIKOXPAEAA-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027652324 799062697 /nfs/dbraw/zinc/06/26/97/799062697.db2.gz QCOFHVRPDJKSLF-GFCCVEGCSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027652324 799062700 /nfs/dbraw/zinc/06/27/00/799062700.db2.gz QCOFHVRPDJKSLF-GFCCVEGCSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680919 799065809 /nfs/dbraw/zinc/06/58/09/799065809.db2.gz LZRSJKAPGUBVPB-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027680919 799065810 /nfs/dbraw/zinc/06/58/10/799065810.db2.gz LZRSJKAPGUBVPB-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027680919 799065813 /nfs/dbraw/zinc/06/58/13/799065813.db2.gz LZRSJKAPGUBVPB-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP O=C(NC[C@@H]1CCC[N@@H+]1CCO)[C@H]1C[NH+]2CCC1CC2 ZINC001027885359 799094652 /nfs/dbraw/zinc/09/46/52/799094652.db2.gz DCCVZKDMBVWOHU-KBPBESRZSA-N 2 1 281.400 -0.099 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCO)C1 ZINC001028094407 799109379 /nfs/dbraw/zinc/10/93/79/799109379.db2.gz YWPYXWJJVABCCP-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCO)C1 ZINC001028094407 799109382 /nfs/dbraw/zinc/10/93/82/799109382.db2.gz YWPYXWJJVABCCP-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCO)C1 ZINC001028094407 799109385 /nfs/dbraw/zinc/10/93/85/799109385.db2.gz YWPYXWJJVABCCP-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028263802 799120203 /nfs/dbraw/zinc/12/02/03/799120203.db2.gz XFLVKTXYMFPVOS-LBPRGKRZSA-N 2 1 294.399 -0.591 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028263802 799120205 /nfs/dbraw/zinc/12/02/05/799120205.db2.gz XFLVKTXYMFPVOS-LBPRGKRZSA-N 2 1 294.399 -0.591 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCO)C1 ZINC001028445357 799137981 /nfs/dbraw/zinc/13/79/81/799137981.db2.gz ODKGKQQRPOXGHR-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCO)C1 ZINC001028445357 799137983 /nfs/dbraw/zinc/13/79/83/799137983.db2.gz ODKGKQQRPOXGHR-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001028445357 799137986 /nfs/dbraw/zinc/13/79/86/799137986.db2.gz ODKGKQQRPOXGHR-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCCO)C1 ZINC001028445356 799138432 /nfs/dbraw/zinc/13/84/32/799138432.db2.gz ODKGKQQRPOXGHR-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCCO)C1 ZINC001028445356 799138435 /nfs/dbraw/zinc/13/84/35/799138435.db2.gz ODKGKQQRPOXGHR-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001028445356 799138438 /nfs/dbraw/zinc/13/84/38/799138438.db2.gz ODKGKQQRPOXGHR-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP COCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461189 799139818 /nfs/dbraw/zinc/13/98/18/799139818.db2.gz LYJDPIHNGSWCCT-QWHCGFSZSA-N 2 1 285.388 -0.599 20 0 CBADMP COCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461189 799139821 /nfs/dbraw/zinc/13/98/21/799139821.db2.gz LYJDPIHNGSWCCT-QWHCGFSZSA-N 2 1 285.388 -0.599 20 0 CBADMP COCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028461189 799139827 /nfs/dbraw/zinc/13/98/27/799139827.db2.gz LYJDPIHNGSWCCT-QWHCGFSZSA-N 2 1 285.388 -0.599 20 0 CBADMP COCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028461189 799139832 /nfs/dbraw/zinc/13/98/32/799139832.db2.gz LYJDPIHNGSWCCT-QWHCGFSZSA-N 2 1 285.388 -0.599 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001028580504 799153631 /nfs/dbraw/zinc/15/36/31/799153631.db2.gz XITGEFHQCHCYTP-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001028580504 799153638 /nfs/dbraw/zinc/15/36/38/799153638.db2.gz XITGEFHQCHCYTP-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028580504 799153640 /nfs/dbraw/zinc/15/36/40/799153640.db2.gz XITGEFHQCHCYTP-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001028635954 799155806 /nfs/dbraw/zinc/15/58/06/799155806.db2.gz HYTFXFLAJAMMCN-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001028635954 799155808 /nfs/dbraw/zinc/15/58/08/799155808.db2.gz HYTFXFLAJAMMCN-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028635954 799155811 /nfs/dbraw/zinc/15/58/11/799155811.db2.gz HYTFXFLAJAMMCN-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)O1 ZINC001028629200 799155836 /nfs/dbraw/zinc/15/58/36/799155836.db2.gz HAOIICGDHUROQC-FRRDWIJNSA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)O1 ZINC001028629200 799155838 /nfs/dbraw/zinc/15/58/38/799155838.db2.gz HAOIICGDHUROQC-FRRDWIJNSA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](CCO)C2)O1 ZINC001028629200 799155842 /nfs/dbraw/zinc/15/58/42/799155842.db2.gz HAOIICGDHUROQC-FRRDWIJNSA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)O1 ZINC001028629200 799155846 /nfs/dbraw/zinc/15/58/46/799155846.db2.gz HAOIICGDHUROQC-FRRDWIJNSA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001028635951 799156299 /nfs/dbraw/zinc/15/62/99/799156299.db2.gz HYTFXFLAJAMMCN-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001028635951 799156302 /nfs/dbraw/zinc/15/63/02/799156302.db2.gz HYTFXFLAJAMMCN-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028635951 799156305 /nfs/dbraw/zinc/15/63/05/799156305.db2.gz HYTFXFLAJAMMCN-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCO)C1 ZINC001028637527 799156624 /nfs/dbraw/zinc/15/66/24/799156624.db2.gz XTXPOSDBPYMIFF-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001028637527 799156627 /nfs/dbraw/zinc/15/66/27/799156627.db2.gz XTXPOSDBPYMIFF-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001028637527 799156629 /nfs/dbraw/zinc/15/66/29/799156629.db2.gz XTXPOSDBPYMIFF-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001028931760 799181234 /nfs/dbraw/zinc/18/12/34/799181234.db2.gz XLLJNPOYYFYMKH-LBPRGKRZSA-N 2 1 267.373 -0.487 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028931414 799181494 /nfs/dbraw/zinc/18/14/94/799181494.db2.gz QEFGLHARROQYSC-NEPJUHHUSA-N 2 1 294.399 -0.606 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028986145 799184580 /nfs/dbraw/zinc/18/45/80/799184580.db2.gz PVRLRXNTBCCEIR-CHWSQXEVSA-N 2 1 296.415 -0.536 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028986145 799184583 /nfs/dbraw/zinc/18/45/83/799184583.db2.gz PVRLRXNTBCCEIR-CHWSQXEVSA-N 2 1 296.415 -0.536 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028986145 799184586 /nfs/dbraw/zinc/18/45/86/799184586.db2.gz PVRLRXNTBCCEIR-CHWSQXEVSA-N 2 1 296.415 -0.536 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001028996297 799186244 /nfs/dbraw/zinc/18/62/44/799186244.db2.gz DCWLXVXFZYOILF-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001028996297 799186247 /nfs/dbraw/zinc/18/62/47/799186247.db2.gz DCWLXVXFZYOILF-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001028996297 799186250 /nfs/dbraw/zinc/18/62/50/799186250.db2.gz DCWLXVXFZYOILF-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001028996297 799186252 /nfs/dbraw/zinc/18/62/52/799186252.db2.gz DCWLXVXFZYOILF-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO)[NH+](C)C ZINC001029356385 799196357 /nfs/dbraw/zinc/19/63/57/799196357.db2.gz LSXRGDGPCLAZDG-FRRDWIJNSA-N 2 1 269.389 -0.006 20 0 CBADMP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)[NH+](C)C ZINC001029356385 799196363 /nfs/dbraw/zinc/19/63/63/799196363.db2.gz LSXRGDGPCLAZDG-FRRDWIJNSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001029474746 799200371 /nfs/dbraw/zinc/20/03/71/799200371.db2.gz IATCDMFPDLSSHI-IGQOVBAYSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029474746 799200373 /nfs/dbraw/zinc/20/03/73/799200373.db2.gz IATCDMFPDLSSHI-IGQOVBAYSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029474746 799200375 /nfs/dbraw/zinc/20/03/75/799200375.db2.gz IATCDMFPDLSSHI-IGQOVBAYSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029473845 799200471 /nfs/dbraw/zinc/20/04/71/799200471.db2.gz VYLLWZVONPYSSA-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001029473845 799200475 /nfs/dbraw/zinc/20/04/75/799200475.db2.gz VYLLWZVONPYSSA-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001029473845 799200476 /nfs/dbraw/zinc/20/04/76/799200476.db2.gz VYLLWZVONPYSSA-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001029474748 799200804 /nfs/dbraw/zinc/20/08/04/799200804.db2.gz IATCDMFPDLSSHI-YIYPIFLZSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029474748 799200809 /nfs/dbraw/zinc/20/08/09/799200809.db2.gz IATCDMFPDLSSHI-YIYPIFLZSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029474748 799200814 /nfs/dbraw/zinc/20/08/14/799200814.db2.gz IATCDMFPDLSSHI-YIYPIFLZSA-N 2 1 281.400 -0.148 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCCO)C1 ZINC001029584023 799202954 /nfs/dbraw/zinc/20/29/54/799202954.db2.gz MKEXNDKBEBTIQU-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCCO)C1 ZINC001029584023 799202956 /nfs/dbraw/zinc/20/29/56/799202956.db2.gz MKEXNDKBEBTIQU-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)C1 ZINC001029584023 799202961 /nfs/dbraw/zinc/20/29/61/799202961.db2.gz MKEXNDKBEBTIQU-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001030020087 799211768 /nfs/dbraw/zinc/21/17/68/799211768.db2.gz MPFQBBZGMMSYSE-SDDRHHMPSA-N 2 1 282.388 -0.465 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031578300 799512736 /nfs/dbraw/zinc/51/27/36/799512736.db2.gz WHHNWGWPSDITNG-LBPRGKRZSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031584617 799513799 /nfs/dbraw/zinc/51/37/99/799513799.db2.gz GZIHIQLZBWFVOC-VXGBXAGGSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031584617 799513805 /nfs/dbraw/zinc/51/38/05/799513805.db2.gz GZIHIQLZBWFVOC-VXGBXAGGSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCn2cncn2)C1 ZINC001031585033 799513818 /nfs/dbraw/zinc/51/38/18/799513818.db2.gz OJVWLHLAHDMWFW-CYBMUJFWSA-N 2 1 292.387 -0.580 20 0 CBADMP O=C(NCC1C[NH+](CCO)C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031669642 799530453 /nfs/dbraw/zinc/53/04/53/799530453.db2.gz PUPTZKFESMMGAT-ZIAGYGMSSA-N 2 1 281.400 -0.099 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031688246 799533129 /nfs/dbraw/zinc/53/31/29/799533129.db2.gz BGEFXVMLQLSOLD-ZIAGYGMSSA-N 2 1 297.399 -0.456 20 0 CBADMP CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031688948 799533812 /nfs/dbraw/zinc/53/38/12/799533812.db2.gz OILBZQODFMZULL-OLZOCXBDSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031772412 799541834 /nfs/dbraw/zinc/54/18/34/799541834.db2.gz TXBAEHQQDNNABB-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1C[NH+](CCO)C1)CC2 ZINC001031931543 799564289 /nfs/dbraw/zinc/56/42/89/799564289.db2.gz KOVZGHPVFPRWTK-ZDUSSCGKSA-N 2 1 292.383 -0.206 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1C[NH+](CCO)C1)C2 ZINC001031977708 799568862 /nfs/dbraw/zinc/56/88/62/799568862.db2.gz HCXCGDLHNCKYKP-ZDUSSCGKSA-N 2 1 292.383 -0.206 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)C1 ZINC001032183012 799590530 /nfs/dbraw/zinc/59/05/30/799590530.db2.gz XMBAWEVAXWHHKJ-CHWSQXEVSA-N 2 1 294.399 -0.735 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)C1 ZINC001032183012 799590532 /nfs/dbraw/zinc/59/05/32/799590532.db2.gz XMBAWEVAXWHHKJ-CHWSQXEVSA-N 2 1 294.399 -0.735 20 0 CBADMP C[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186025 799590857 /nfs/dbraw/zinc/59/08/57/799590857.db2.gz GLQXCKKAIBONRT-CMPLNLGQSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186029 799590941 /nfs/dbraw/zinc/59/09/41/799590941.db2.gz GLQXCKKAIBONRT-ZYHUDNBSSA-N 2 1 255.362 -0.633 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CCCO)C2)C1 ZINC001032185831 799591048 /nfs/dbraw/zinc/59/10/48/799591048.db2.gz CWHYALKDGPPXBG-LBPRGKRZSA-N 2 1 255.362 -0.632 20 0 CBADMP CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001032197252 799591859 /nfs/dbraw/zinc/59/18/59/799591859.db2.gz HAPYPARBGGAGRB-LBPRGKRZSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001032197252 799591862 /nfs/dbraw/zinc/59/18/62/799591862.db2.gz HAPYPARBGGAGRB-LBPRGKRZSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCCO)C2)C1 ZINC001032197579 799592031 /nfs/dbraw/zinc/59/20/31/799592031.db2.gz OUCUAPHWWGIYRX-CYBMUJFWSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCCO)C2)C1 ZINC001032197579 799592032 /nfs/dbraw/zinc/59/20/32/799592032.db2.gz OUCUAPHWWGIYRX-CYBMUJFWSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@H](C)O)C2)C1 ZINC001032202308 799594085 /nfs/dbraw/zinc/59/40/85/799594085.db2.gz QMLLOILXXMKUAN-WCQYABFASA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@H](C)O)C2)C1 ZINC001032202308 799594088 /nfs/dbraw/zinc/59/40/88/799594088.db2.gz QMLLOILXXMKUAN-WCQYABFASA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO ZINC001032315183 799610270 /nfs/dbraw/zinc/61/02/70/799610270.db2.gz DQNMGPQTIJSIMS-SRVKXCTJSA-N 2 1 253.346 -0.642 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO ZINC001032315183 799610272 /nfs/dbraw/zinc/61/02/72/799610272.db2.gz DQNMGPQTIJSIMS-SRVKXCTJSA-N 2 1 253.346 -0.642 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032315183 799610274 /nfs/dbraw/zinc/61/02/74/799610274.db2.gz DQNMGPQTIJSIMS-SRVKXCTJSA-N 2 1 253.346 -0.642 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032315183 799610275 /nfs/dbraw/zinc/61/02/75/799610275.db2.gz DQNMGPQTIJSIMS-SRVKXCTJSA-N 2 1 253.346 -0.642 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032628261 799651637 /nfs/dbraw/zinc/65/16/37/799651637.db2.gz VGHFAOYJOPPGCZ-AGIUHOORSA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032628261 799651638 /nfs/dbraw/zinc/65/16/38/799651638.db2.gz VGHFAOYJOPPGCZ-AGIUHOORSA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)C1 ZINC001032628261 799651641 /nfs/dbraw/zinc/65/16/41/799651641.db2.gz VGHFAOYJOPPGCZ-AGIUHOORSA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)C1 ZINC001032628261 799651643 /nfs/dbraw/zinc/65/16/43/799651643.db2.gz VGHFAOYJOPPGCZ-AGIUHOORSA-N 2 1 267.373 -0.394 20 0 CBADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](C)O)[NH+](C)C ZINC001032634218 799651815 /nfs/dbraw/zinc/65/18/15/799651815.db2.gz GTZCHYATENYBRW-CYDGBPFRSA-N 2 1 269.389 -0.008 20 0 CBADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](C)O)[NH+](C)C ZINC001032634218 799651818 /nfs/dbraw/zinc/65/18/18/799651818.db2.gz GTZCHYATENYBRW-CYDGBPFRSA-N 2 1 269.389 -0.008 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCO)C2)O1 ZINC001033183832 799724736 /nfs/dbraw/zinc/72/47/36/799724736.db2.gz GBZAITCGMQEHKD-JHJVBQTASA-N 2 1 285.388 -0.770 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCO)C2)O1 ZINC001033183832 799724723 /nfs/dbraw/zinc/72/47/23/799724723.db2.gz GBZAITCGMQEHKD-JHJVBQTASA-N 2 1 285.388 -0.770 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCO)C2)O1 ZINC001033183832 799724728 /nfs/dbraw/zinc/72/47/28/799724728.db2.gz GBZAITCGMQEHKD-JHJVBQTASA-N 2 1 285.388 -0.770 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCO)C2)O1 ZINC001033183832 799724730 /nfs/dbraw/zinc/72/47/30/799724730.db2.gz GBZAITCGMQEHKD-JHJVBQTASA-N 2 1 285.388 -0.770 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033382175 799749470 /nfs/dbraw/zinc/74/94/70/799749470.db2.gz AHTMAXNAJQLQIN-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033382175 799749478 /nfs/dbraw/zinc/74/94/78/799749478.db2.gz AHTMAXNAJQLQIN-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391188 799750448 /nfs/dbraw/zinc/75/04/48/799750448.db2.gz OIKFASSCVTUYEA-AAEUAGOBSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391188 799750452 /nfs/dbraw/zinc/75/04/52/799750452.db2.gz OIKFASSCVTUYEA-AAEUAGOBSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CCO)C1 ZINC001033421674 799752194 /nfs/dbraw/zinc/75/21/94/799752194.db2.gz DJYPTKQPXZRKJI-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](CCO)C1 ZINC001033421674 799752198 /nfs/dbraw/zinc/75/21/98/799752198.db2.gz DJYPTKQPXZRKJI-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033421674 799752201 /nfs/dbraw/zinc/75/22/01/799752201.db2.gz DJYPTKQPXZRKJI-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033581345 799769472 /nfs/dbraw/zinc/76/94/72/799769472.db2.gz JPZQXEVFIYFCIC-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033581345 799769475 /nfs/dbraw/zinc/76/94/75/799769475.db2.gz JPZQXEVFIYFCIC-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033581345 799769481 /nfs/dbraw/zinc/76/94/81/799769481.db2.gz JPZQXEVFIYFCIC-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033581345 799769484 /nfs/dbraw/zinc/76/94/84/799769484.db2.gz JPZQXEVFIYFCIC-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033580416 799770231 /nfs/dbraw/zinc/77/02/31/799770231.db2.gz DQQCMGAGGHFRKB-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033580416 799770233 /nfs/dbraw/zinc/77/02/33/799770233.db2.gz DQQCMGAGGHFRKB-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033580416 799770237 /nfs/dbraw/zinc/77/02/37/799770237.db2.gz DQQCMGAGGHFRKB-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033580416 799770240 /nfs/dbraw/zinc/77/02/40/799770240.db2.gz DQQCMGAGGHFRKB-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033660059 799777668 /nfs/dbraw/zinc/77/76/68/799777668.db2.gz HCQDLXUZGJEKII-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCCO)C1 ZINC001033660059 799777672 /nfs/dbraw/zinc/77/76/72/799777672.db2.gz HCQDLXUZGJEKII-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCCO)C1 ZINC001033660059 799777674 /nfs/dbraw/zinc/77/76/74/799777674.db2.gz HCQDLXUZGJEKII-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CCO)C1 ZINC001034014817 799805761 /nfs/dbraw/zinc/80/57/61/799805761.db2.gz DRPRWWRVNXOEHD-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001034040933 799806828 /nfs/dbraw/zinc/80/68/28/799806828.db2.gz ZZRPYVGNHBZLTL-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001034040933 799806832 /nfs/dbraw/zinc/80/68/32/799806832.db2.gz ZZRPYVGNHBZLTL-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001034040933 799806838 /nfs/dbraw/zinc/80/68/38/799806838.db2.gz ZZRPYVGNHBZLTL-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001034040933 799806847 /nfs/dbraw/zinc/80/68/47/799806847.db2.gz ZZRPYVGNHBZLTL-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034524946 799843048 /nfs/dbraw/zinc/84/30/48/799843048.db2.gz JGBMDXKNFXTWTN-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034524946 799843056 /nfs/dbraw/zinc/84/30/56/799843056.db2.gz JGBMDXKNFXTWTN-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034524946 799843062 /nfs/dbraw/zinc/84/30/62/799843062.db2.gz JGBMDXKNFXTWTN-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034524946 799843067 /nfs/dbraw/zinc/84/30/67/799843067.db2.gz JGBMDXKNFXTWTN-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCO)C2)C1 ZINC001034531060 799846477 /nfs/dbraw/zinc/84/64/77/799846477.db2.gz CXEUPZPBPAYYFW-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCO)C2)C1 ZINC001034531060 799846481 /nfs/dbraw/zinc/84/64/81/799846481.db2.gz CXEUPZPBPAYYFW-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCO)C2)C1 ZINC001034531060 799846488 /nfs/dbraw/zinc/84/64/88/799846488.db2.gz CXEUPZPBPAYYFW-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)C1 ZINC001034531060 799846493 /nfs/dbraw/zinc/84/64/93/799846493.db2.gz CXEUPZPBPAYYFW-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034612052 799848199 /nfs/dbraw/zinc/84/81/99/799848199.db2.gz PFVBFNCUZHUBDL-SRVKXCTJSA-N 2 1 282.388 -0.417 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034612047 799848470 /nfs/dbraw/zinc/84/84/70/799848470.db2.gz PFVBFNCUZHUBDL-IJLUTSLNSA-N 2 1 282.388 -0.417 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)C1 ZINC001034617534 799848629 /nfs/dbraw/zinc/84/86/29/799848629.db2.gz QTSZTIQAEAXJIF-AVGNSLFASA-N 2 1 285.388 -0.674 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)C1 ZINC001034617534 799848633 /nfs/dbraw/zinc/84/86/33/799848633.db2.gz QTSZTIQAEAXJIF-AVGNSLFASA-N 2 1 285.388 -0.674 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001034617349 799848677 /nfs/dbraw/zinc/84/86/77/799848677.db2.gz OZXSPDXXRQTGRS-SYQHCUMBSA-N 2 1 299.415 -0.285 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001034617349 799848686 /nfs/dbraw/zinc/84/86/86/799848686.db2.gz OZXSPDXXRQTGRS-SYQHCUMBSA-N 2 1 299.415 -0.285 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)C1 ZINC001034775486 799855579 /nfs/dbraw/zinc/85/55/79/799855579.db2.gz ASFCWWCAQFUVIG-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001034793403 799856479 /nfs/dbraw/zinc/85/64/79/799856479.db2.gz ZMCCAIGTRRWRFN-YVECIDJPSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001035014634 799864129 /nfs/dbraw/zinc/86/41/29/799864129.db2.gz ZQPYBAWJKMSZHF-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001035325495 799891889 /nfs/dbraw/zinc/89/18/89/799891889.db2.gz BDPGCHRDWHZFBB-STQMWFEESA-N 2 1 285.388 -0.458 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001035325495 799891897 /nfs/dbraw/zinc/89/18/97/799891897.db2.gz BDPGCHRDWHZFBB-STQMWFEESA-N 2 1 285.388 -0.458 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)CC1 ZINC001035499386 799934444 /nfs/dbraw/zinc/93/44/44/799934444.db2.gz FSUITEBYWNHXFF-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)CC1 ZINC001035499386 799934446 /nfs/dbraw/zinc/93/44/46/799934446.db2.gz FSUITEBYWNHXFF-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC3(C[NH+](CCO)C3)CC2)C1 ZINC001035853499 799965220 /nfs/dbraw/zinc/96/52/20/799965220.db2.gz XYGOFPRDWDZJAZ-CYBMUJFWSA-N 2 1 281.400 -0.145 20 0 CBADMP O=C(N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1)C12CC[NH+](CC1)C2 ZINC001036871692 800013838 /nfs/dbraw/zinc/01/38/38/800013838.db2.gz OSXJLBZJOWNLPR-KGLIPLIRSA-N 2 1 293.411 -0.003 20 0 CBADMP CN1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC2CC2)C1 ZINC001038138308 800061706 /nfs/dbraw/zinc/06/17/06/800061706.db2.gz VFEILFMVRAMKCS-CHWSQXEVSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CC2CC2)C1 ZINC001038138308 800061713 /nfs/dbraw/zinc/06/17/13/800061713.db2.gz VFEILFMVRAMKCS-CHWSQXEVSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CC2CC2)C1 ZINC001038138308 800061718 /nfs/dbraw/zinc/06/17/18/800061718.db2.gz VFEILFMVRAMKCS-CHWSQXEVSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC2CC2)C1 ZINC001038138308 800061730 /nfs/dbraw/zinc/06/17/30/800061730.db2.gz VFEILFMVRAMKCS-CHWSQXEVSA-N 2 1 267.373 -0.083 20 0 CBADMP CC(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001038144193 800063454 /nfs/dbraw/zinc/06/34/54/800063454.db2.gz WUVRPLWAGAJOQW-VXGBXAGGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038144193 800063462 /nfs/dbraw/zinc/06/34/62/800063462.db2.gz WUVRPLWAGAJOQW-VXGBXAGGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038144193 800063467 /nfs/dbraw/zinc/06/34/67/800063467.db2.gz WUVRPLWAGAJOQW-VXGBXAGGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038144193 800063485 /nfs/dbraw/zinc/06/34/85/800063485.db2.gz WUVRPLWAGAJOQW-VXGBXAGGSA-N 2 1 255.362 -0.084 20 0 CBADMP O=C(NC[C@@H]1CC[N@@H+]1CCCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001038247543 800086515 /nfs/dbraw/zinc/08/65/15/800086515.db2.gz INQYVIWDNYZRCA-UONOGXRCSA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)CC[N@H+]1C ZINC001038267519 800090769 /nfs/dbraw/zinc/09/07/69/800090769.db2.gz BOEDIWKONDZKHU-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCO)CC[NH+]1C ZINC001038267519 800090772 /nfs/dbraw/zinc/09/07/72/800090772.db2.gz BOEDIWKONDZKHU-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCCO)CC[NH+]1C ZINC001038267519 800090780 /nfs/dbraw/zinc/09/07/80/800090780.db2.gz BOEDIWKONDZKHU-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001038628109 801229793 /nfs/dbraw/zinc/22/97/93/801229793.db2.gz NDPJRFBTIHLCPY-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCO)C1 ZINC001038628109 801229799 /nfs/dbraw/zinc/22/97/99/801229799.db2.gz NDPJRFBTIHLCPY-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCCO)C1 ZINC001038628109 801229804 /nfs/dbraw/zinc/22/98/04/801229804.db2.gz NDPJRFBTIHLCPY-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038927686 801268736 /nfs/dbraw/zinc/26/87/36/801268736.db2.gz YZLJESFJMGGPST-NWDGAFQWSA-N 2 1 267.373 -0.347 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@]3(CC[NH+](CCO)C3)C2)C1 ZINC001041830387 801421516 /nfs/dbraw/zinc/42/15/16/801421516.db2.gz GWWBJALIKLKBKN-ZFWWWQNUSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@]3(CC[N@H+](CCO)C3)C2)C1 ZINC001041830387 801421519 /nfs/dbraw/zinc/42/15/19/801421519.db2.gz GWWBJALIKLKBKN-ZFWWWQNUSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CCO)C3)C2)C1 ZINC001041830387 801421522 /nfs/dbraw/zinc/42/15/22/801421522.db2.gz GWWBJALIKLKBKN-ZFWWWQNUSA-N 2 1 281.400 -0.145 20 0 CBADMP O=C(N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001042314805 801458496 /nfs/dbraw/zinc/45/84/96/801458496.db2.gz WUCOCKPWTAMDPL-ZIAGYGMSSA-N 2 1 293.411 -0.003 20 0 CBADMP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044188579 801627957 /nfs/dbraw/zinc/62/79/57/801627957.db2.gz LROQXQHPMROWLA-NEPJUHHUSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044188579 801627960 /nfs/dbraw/zinc/62/79/60/801627960.db2.gz LROQXQHPMROWLA-NEPJUHHUSA-N 2 1 269.389 -0.148 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001044865836 801673574 /nfs/dbraw/zinc/67/35/74/801673574.db2.gz REOGUYPWWRYNAJ-CMPLNLGQSA-N 2 1 293.371 -0.354 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001045557668 801704056 /nfs/dbraw/zinc/70/40/56/801704056.db2.gz RJPPXZHJQYFKEJ-NWDGAFQWSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001045557668 801704061 /nfs/dbraw/zinc/70/40/61/801704061.db2.gz RJPPXZHJQYFKEJ-NWDGAFQWSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001045557669 801704623 /nfs/dbraw/zinc/70/46/23/801704623.db2.gz RJPPXZHJQYFKEJ-RYUDHWBXSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001045557669 801704625 /nfs/dbraw/zinc/70/46/25/801704625.db2.gz RJPPXZHJQYFKEJ-RYUDHWBXSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@]1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+](CCO)C1 ZINC001046317038 801751887 /nfs/dbraw/zinc/75/18/87/801751887.db2.gz DSMPDBBVEWFALZ-DZGCQCFKSA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001046330288 801753689 /nfs/dbraw/zinc/75/36/89/801753689.db2.gz YNZVHPVZFSPUEO-JTNHKYCSSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001046330288 801753692 /nfs/dbraw/zinc/75/36/92/801753692.db2.gz YNZVHPVZFSPUEO-JTNHKYCSSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001046330288 801753696 /nfs/dbraw/zinc/75/36/96/801753696.db2.gz YNZVHPVZFSPUEO-JTNHKYCSSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001046330288 801753699 /nfs/dbraw/zinc/75/36/99/801753699.db2.gz YNZVHPVZFSPUEO-JTNHKYCSSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046589281 801777514 /nfs/dbraw/zinc/77/75/14/801777514.db2.gz ZIMSNYYBPNREFI-XHDPSFHLSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046589281 801777521 /nfs/dbraw/zinc/77/75/21/801777521.db2.gz ZIMSNYYBPNREFI-XHDPSFHLSA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046831060 801796466 /nfs/dbraw/zinc/79/64/66/801796466.db2.gz FDKUUCQMFBEXRK-SMDDNHRTSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046831060 801796470 /nfs/dbraw/zinc/79/64/70/801796470.db2.gz FDKUUCQMFBEXRK-SMDDNHRTSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046831060 801796478 /nfs/dbraw/zinc/79/64/78/801796478.db2.gz FDKUUCQMFBEXRK-SMDDNHRTSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046831060 801796483 /nfs/dbraw/zinc/79/64/83/801796483.db2.gz FDKUUCQMFBEXRK-SMDDNHRTSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046839966 801798323 /nfs/dbraw/zinc/79/83/23/801798323.db2.gz VIHAQWZHGMHEHA-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCCO)C2)C1 ZINC001046839966 801798326 /nfs/dbraw/zinc/79/83/26/801798326.db2.gz VIHAQWZHGMHEHA-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCO)C2)C1 ZINC001046839966 801798329 /nfs/dbraw/zinc/79/83/29/801798329.db2.gz VIHAQWZHGMHEHA-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2C[NH+](CCO)C[C@@H]2O)CC[N@H+]1C ZINC001047500458 801887457 /nfs/dbraw/zinc/88/74/57/801887457.db2.gz DGVIHGSQXPFEHZ-XUXIUFHCSA-N 2 1 299.415 -0.788 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)CC[NH+]1C ZINC001047500458 801887462 /nfs/dbraw/zinc/88/74/62/801887462.db2.gz DGVIHGSQXPFEHZ-XUXIUFHCSA-N 2 1 299.415 -0.788 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)CC[NH+]1C ZINC001047500458 801887468 /nfs/dbraw/zinc/88/74/68/801887468.db2.gz DGVIHGSQXPFEHZ-XUXIUFHCSA-N 2 1 299.415 -0.788 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511590 801890660 /nfs/dbraw/zinc/89/06/60/801890660.db2.gz KTEGWPILRGEULN-XBFCOCLRSA-N 2 1 299.415 -0.788 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001047528883 801895591 /nfs/dbraw/zinc/89/55/91/801895591.db2.gz GPPZADVSVABVMK-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047544487 801899132 /nfs/dbraw/zinc/89/91/32/801899132.db2.gz BKRLIQMVHDQBPE-RYUDHWBXSA-N 2 1 284.335 -0.185 20 0 CBADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047597828 801907357 /nfs/dbraw/zinc/90/73/57/801907357.db2.gz HQFUPCUVOJIFAZ-IHRRRGAJSA-N 2 1 299.415 -0.786 20 0 CBADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047597828 801907364 /nfs/dbraw/zinc/90/73/64/801907364.db2.gz HQFUPCUVOJIFAZ-IHRRRGAJSA-N 2 1 299.415 -0.786 20 0 CBADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047597828 801907368 /nfs/dbraw/zinc/90/73/68/801907368.db2.gz HQFUPCUVOJIFAZ-IHRRRGAJSA-N 2 1 299.415 -0.786 20 0 CBADMP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047629210 801914641 /nfs/dbraw/zinc/91/46/41/801914641.db2.gz SZQTVKBVPQMOKR-AGIUHOORSA-N 2 1 285.388 -0.912 20 0 CBADMP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047629210 801914619 /nfs/dbraw/zinc/91/46/19/801914619.db2.gz SZQTVKBVPQMOKR-AGIUHOORSA-N 2 1 285.388 -0.912 20 0 CBADMP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001047629210 801914636 /nfs/dbraw/zinc/91/46/36/801914636.db2.gz SZQTVKBVPQMOKR-AGIUHOORSA-N 2 1 285.388 -0.912 20 0 CBADMP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047629211 801916271 /nfs/dbraw/zinc/91/62/71/801916271.db2.gz SZQTVKBVPQMOKR-AVGNSLFASA-N 2 1 285.388 -0.912 20 0 CBADMP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001047629211 801916274 /nfs/dbraw/zinc/91/62/74/801916274.db2.gz SZQTVKBVPQMOKR-AVGNSLFASA-N 2 1 285.388 -0.912 20 0 CBADMP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047629211 801916278 /nfs/dbraw/zinc/91/62/78/801916278.db2.gz SZQTVKBVPQMOKR-AVGNSLFASA-N 2 1 285.388 -0.912 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001048723971 801955549 /nfs/dbraw/zinc/95/55/49/801955549.db2.gz RQWBKBMSRJVMKM-FRRDWIJNSA-N 2 1 267.373 -0.537 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048723971 801955552 /nfs/dbraw/zinc/95/55/52/801955552.db2.gz RQWBKBMSRJVMKM-FRRDWIJNSA-N 2 1 267.373 -0.537 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048723971 801955557 /nfs/dbraw/zinc/95/55/57/801955557.db2.gz RQWBKBMSRJVMKM-FRRDWIJNSA-N 2 1 267.373 -0.537 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723776 801956565 /nfs/dbraw/zinc/95/65/65/801956565.db2.gz PFTFTUARYJIHPM-NDBYEHHHSA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048723776 801956571 /nfs/dbraw/zinc/95/65/71/801956571.db2.gz PFTFTUARYJIHPM-NDBYEHHHSA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048723776 801956574 /nfs/dbraw/zinc/95/65/74/801956574.db2.gz PFTFTUARYJIHPM-NDBYEHHHSA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048738805 801962057 /nfs/dbraw/zinc/96/20/57/801962057.db2.gz DSHVBTQEADYXCZ-YIYPIFLZSA-N 2 1 297.399 -0.912 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048738805 801962062 /nfs/dbraw/zinc/96/20/62/801962062.db2.gz DSHVBTQEADYXCZ-YIYPIFLZSA-N 2 1 297.399 -0.912 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048738805 801962071 /nfs/dbraw/zinc/96/20/71/801962071.db2.gz DSHVBTQEADYXCZ-YIYPIFLZSA-N 2 1 297.399 -0.912 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048738805 801962074 /nfs/dbraw/zinc/96/20/74/801962074.db2.gz DSHVBTQEADYXCZ-YIYPIFLZSA-N 2 1 297.399 -0.912 20 0 CBADMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1)C1CCC1 ZINC001048864760 801976790 /nfs/dbraw/zinc/97/67/90/801976790.db2.gz OQBHYDRUCZNVDY-BETUJISGSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)C1CCC1 ZINC001048864760 801976794 /nfs/dbraw/zinc/97/67/94/801976794.db2.gz OQBHYDRUCZNVDY-BETUJISGSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)C1CCC1 ZINC001048864760 801976797 /nfs/dbraw/zinc/97/67/97/801976797.db2.gz OQBHYDRUCZNVDY-BETUJISGSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049173987 802003981 /nfs/dbraw/zinc/00/39/81/802003981.db2.gz JYOIWSAGAVXCLC-MCIONIFRSA-N 2 1 293.411 -0.147 20 0 CBADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049214889 802009418 /nfs/dbraw/zinc/00/94/18/802009418.db2.gz AIJNWQUFBNTABD-BETUJISGSA-N 2 1 267.373 -0.535 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049215482 802009888 /nfs/dbraw/zinc/00/98/88/802009888.db2.gz WKZRKMUXWCRHJA-RWMBFGLXSA-N 2 1 294.399 -0.654 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(N)=O)[NH+](C)C ZINC001049549358 802026710 /nfs/dbraw/zinc/02/67/10/802026710.db2.gz HQLUJLPAEGHLHN-AGIUHOORSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(N)=O)[NH+](C)C ZINC001049549358 802026716 /nfs/dbraw/zinc/02/67/16/802026716.db2.gz HQLUJLPAEGHLHN-AGIUHOORSA-N 2 1 296.415 -0.123 20 0 CBADMP O=C(N1CCC[C@H]2C[N@H+](CCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001050184449 802055417 /nfs/dbraw/zinc/05/54/17/802055417.db2.gz GMLCUFONDGFAQX-UONOGXRCSA-N 2 1 293.411 -0.003 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001050203254 802057172 /nfs/dbraw/zinc/05/71/72/802057172.db2.gz ZDSYKXMTUWLAIB-YNEHKIRRSA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001050203254 802057175 /nfs/dbraw/zinc/05/71/75/802057175.db2.gz ZDSYKXMTUWLAIB-YNEHKIRRSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001050203254 802057180 /nfs/dbraw/zinc/05/71/80/802057180.db2.gz ZDSYKXMTUWLAIB-YNEHKIRRSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001050203254 802057187 /nfs/dbraw/zinc/05/71/87/802057187.db2.gz ZDSYKXMTUWLAIB-YNEHKIRRSA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001050462756 802064553 /nfs/dbraw/zinc/06/45/53/802064553.db2.gz ZCFINGOOKLDMSY-GFCCVEGCSA-N 2 1 294.399 -0.510 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051931470 802172480 /nfs/dbraw/zinc/17/24/80/802172480.db2.gz BLPREJWZTUQMNW-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCO1 ZINC001051939230 802174373 /nfs/dbraw/zinc/17/43/73/802174373.db2.gz YDJHIXJABQCVHZ-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001051939230 802174377 /nfs/dbraw/zinc/17/43/77/802174377.db2.gz YDJHIXJABQCVHZ-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052276133 802191429 /nfs/dbraw/zinc/19/14/29/802191429.db2.gz XVAXXVPVJQTZBR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052276133 802191435 /nfs/dbraw/zinc/19/14/35/802191435.db2.gz XVAXXVPVJQTZBR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001052276133 802191440 /nfs/dbraw/zinc/19/14/40/802191440.db2.gz XVAXXVPVJQTZBR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001052276133 802191444 /nfs/dbraw/zinc/19/14/44/802191444.db2.gz XVAXXVPVJQTZBR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC001052677309 802212166 /nfs/dbraw/zinc/21/21/66/802212166.db2.gz PDNNKSOGJHSMQP-CYBMUJFWSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052868737 802223653 /nfs/dbraw/zinc/22/36/53/802223653.db2.gz XNJKLJSEYDFGKD-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)C1 ZINC001052868737 802223658 /nfs/dbraw/zinc/22/36/58/802223658.db2.gz XNJKLJSEYDFGKD-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC001052868737 802223660 /nfs/dbraw/zinc/22/36/60/802223660.db2.gz XNJKLJSEYDFGKD-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052934329 802224399 /nfs/dbraw/zinc/22/43/99/802224399.db2.gz IYANZOXPQSOXHS-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052934337 802225148 /nfs/dbraw/zinc/22/51/48/802225148.db2.gz IYANZOXPQSOXHS-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CCO)CC2)C1 ZINC001052934288 802225265 /nfs/dbraw/zinc/22/52/65/802225265.db2.gz ISNIOZHKSBYXDK-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CCO)CC2)C1 ZINC001052934288 802225273 /nfs/dbraw/zinc/22/52/73/802225273.db2.gz ISNIOZHKSBYXDK-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)C1 ZINC001052934288 802225278 /nfs/dbraw/zinc/22/52/78/802225278.db2.gz ISNIOZHKSBYXDK-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001054296980 802333006 /nfs/dbraw/zinc/33/30/06/802333006.db2.gz ZVMHWDAPSPBQDS-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(N)=O ZINC001054736538 802367188 /nfs/dbraw/zinc/36/71/88/802367188.db2.gz KJMURTVEGBWHCL-CMPLNLGQSA-N 2 1 282.388 -0.608 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@H]([NH2+]CCO)C1 ZINC001054907585 802378180 /nfs/dbraw/zinc/37/81/80/802378180.db2.gz YQHVAPZXESLNHT-CMPLNLGQSA-N 2 1 266.345 -0.380 20 0 CBADMP CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055479710 802396425 /nfs/dbraw/zinc/39/64/25/802396425.db2.gz DGYVZUYNVUHAAO-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210509 814934154 /nfs/dbraw/zinc/93/41/54/814934154.db2.gz PNHFPAKNOXFUQY-LLVKDONJSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001118044089 812465591 /nfs/dbraw/zinc/46/55/91/812465591.db2.gz AQDUNCYRAYESGN-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CCC[NH2+]C1 ZINC001121930809 813091121 /nfs/dbraw/zinc/09/11/21/813091121.db2.gz UMEXOJWWDMDCAC-SDDRHHMPSA-N 2 1 252.362 -0.757 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001121931488 813091540 /nfs/dbraw/zinc/09/15/40/813091540.db2.gz AMSJMYGMJDUEMP-SECBINFHSA-N 2 1 251.277 -0.799 20 0 CBADMP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC(F)(F)C[NH3+] ZINC001122015788 813105102 /nfs/dbraw/zinc/10/51/02/813105102.db2.gz SWBQLVSELZJQDF-BDAKNGLRSA-N 2 1 262.304 -0.915 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC(F)(F)C[NH3+] ZINC001122015788 813105104 /nfs/dbraw/zinc/10/51/04/813105104.db2.gz SWBQLVSELZJQDF-BDAKNGLRSA-N 2 1 262.304 -0.915 20 0 CBADMP C[NH2+]C1CC(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001122449042 813167364 /nfs/dbraw/zinc/16/73/64/813167364.db2.gz RGVDADCHSCQIEQ-IKWCTNDRSA-N 2 1 268.405 -0.265 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C(N)=O ZINC001129329530 813837507 /nfs/dbraw/zinc/83/75/07/813837507.db2.gz YDNFHLSTJVEPSX-CHWSQXEVSA-N 2 1 298.431 -0.066 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCO)C1 ZINC001129329167 813837782 /nfs/dbraw/zinc/83/77/82/813837782.db2.gz WKSAJUZITRZCGC-GFCCVEGCSA-N 2 1 257.378 -0.338 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001129341802 813838417 /nfs/dbraw/zinc/83/84/17/813838417.db2.gz ZQMUBAHYZPVPAB-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)CC[NH+](C)C)nn1 ZINC001133291020 814237739 /nfs/dbraw/zinc/23/77/39/814237739.db2.gz IDACEZCTVIPBCN-UHFFFAOYSA-N 2 1 268.365 -0.545 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)nn1 ZINC001133845378 814304126 /nfs/dbraw/zinc/30/41/26/814304126.db2.gz DEGRNXRQFZAUHM-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@@H](C)C2)nn1 ZINC001133845378 814304132 /nfs/dbraw/zinc/30/41/32/814304132.db2.gz DEGRNXRQFZAUHM-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cnnn2C)C1 ZINC001133842224 814304654 /nfs/dbraw/zinc/30/46/54/814304654.db2.gz HLIZWBHDXIXQFI-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001133845423 814305953 /nfs/dbraw/zinc/30/59/53/814305953.db2.gz FMHVXEFPVKJZFV-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[C@@H](C(=O)NCC[NH2+]Cc1nccn1C)[NH+](C)C ZINC001133982449 814333926 /nfs/dbraw/zinc/33/39/26/814333926.db2.gz AJPOKTTYJMYYDR-NSHDSACASA-N 2 1 267.377 -0.034 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001148578962 814950478 /nfs/dbraw/zinc/95/04/78/814950478.db2.gz XWWQXGWHZUANLL-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001148573747 814950551 /nfs/dbraw/zinc/95/05/51/814950551.db2.gz YDNAKNIRGSJQOR-LLVKDONJSA-N 2 1 298.387 -0.771 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001148577867 814951408 /nfs/dbraw/zinc/95/14/08/814951408.db2.gz HEHPSFZCISNLTP-LLVKDONJSA-N 2 1 272.393 -0.312 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148604248 814953276 /nfs/dbraw/zinc/95/32/76/814953276.db2.gz BLRQDTAROVJMSE-CYBMUJFWSA-N 2 1 299.415 -0.520 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001148638779 814954236 /nfs/dbraw/zinc/95/42/36/814954236.db2.gz RICHPSSDHXPZDA-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001148638779 814954239 /nfs/dbraw/zinc/95/42/39/814954239.db2.gz RICHPSSDHXPZDA-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001148642446 814954316 /nfs/dbraw/zinc/95/43/16/814954316.db2.gz JFGLOQWTLJNJBS-UHFFFAOYSA-N 2 1 284.404 -0.440 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001148642030 814954586 /nfs/dbraw/zinc/95/45/86/814954586.db2.gz CDJYYEHLZAWISL-GFCCVEGCSA-N 2 1 294.403 -0.187 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001148642876 814954622 /nfs/dbraw/zinc/95/46/22/814954622.db2.gz OYXXSORCVYYVOB-UHFFFAOYSA-N 2 1 285.392 -0.941 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001148638820 814954662 /nfs/dbraw/zinc/95/46/62/814954662.db2.gz TVQBLWTWKYQMJS-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001148638820 814954669 /nfs/dbraw/zinc/95/46/69/814954669.db2.gz TVQBLWTWKYQMJS-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001148636090 814954740 /nfs/dbraw/zinc/95/47/40/814954740.db2.gz RQNZJMRJRCNQCK-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001148636090 814954745 /nfs/dbraw/zinc/95/47/45/814954745.db2.gz RQNZJMRJRCNQCK-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001148638466 814955124 /nfs/dbraw/zinc/95/51/24/814955124.db2.gz IDUUHYLZCFKHOT-UHFFFAOYSA-N 2 1 272.393 -0.441 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC(C)C ZINC001148643407 814955258 /nfs/dbraw/zinc/95/52/58/814955258.db2.gz YWLMSJUNCMAWCW-UHFFFAOYSA-N 2 1 286.420 -0.194 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001148839194 814958896 /nfs/dbraw/zinc/95/88/96/814958896.db2.gz LBBAOFCMCSGSEP-UHFFFAOYSA-N 2 1 282.388 -0.654 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001148839194 814958902 /nfs/dbraw/zinc/95/89/02/814958902.db2.gz LBBAOFCMCSGSEP-UHFFFAOYSA-N 2 1 282.388 -0.654 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001148839194 814958908 /nfs/dbraw/zinc/95/89/08/814958908.db2.gz LBBAOFCMCSGSEP-UHFFFAOYSA-N 2 1 282.388 -0.654 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001148839194 814958920 /nfs/dbraw/zinc/95/89/20/814958920.db2.gz LBBAOFCMCSGSEP-UHFFFAOYSA-N 2 1 282.388 -0.654 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@H](C)C(N)=O)C2 ZINC001148838627 814959354 /nfs/dbraw/zinc/95/93/54/814959354.db2.gz CSZIQMOLBTUWEB-GFCCVEGCSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(N)=O)C2 ZINC001148838627 814959359 /nfs/dbraw/zinc/95/93/59/814959359.db2.gz CSZIQMOLBTUWEB-GFCCVEGCSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(N)=O)C2 ZINC001148838627 814959363 /nfs/dbraw/zinc/95/93/63/814959363.db2.gz CSZIQMOLBTUWEB-GFCCVEGCSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)N1CC[NH+](C)CC1 ZINC001321769142 803811405 /nfs/dbraw/zinc/81/14/05/803811405.db2.gz RBURLISVMFCALU-CHWSQXEVSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)N1CC[NH+](C)CC1 ZINC001321769142 803811413 /nfs/dbraw/zinc/81/14/13/803811413.db2.gz RBURLISVMFCALU-CHWSQXEVSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)N1CC[NH+](C)CC1 ZINC001321769144 803812484 /nfs/dbraw/zinc/81/24/84/803812484.db2.gz RBURLISVMFCALU-QWHCGFSZSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)N1CC[NH+](C)CC1 ZINC001321769144 803812493 /nfs/dbraw/zinc/81/24/93/803812493.db2.gz RBURLISVMFCALU-QWHCGFSZSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H](C[NH2+]CCOC1CCC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001321812336 803819401 /nfs/dbraw/zinc/81/94/01/803819401.db2.gz QMZZJYPBIZQOOU-GXTWGEPZSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@@H](C[NH2+]CCOC1CCC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001321812336 803819412 /nfs/dbraw/zinc/81/94/12/803819412.db2.gz QMZZJYPBIZQOOU-GXTWGEPZSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@@H](C[NH2+]CCN1CCCC1=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001322074223 803856755 /nfs/dbraw/zinc/85/67/55/803856755.db2.gz YUJRDAGNUDFMMD-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCOCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001322132491 803866633 /nfs/dbraw/zinc/86/66/33/803866633.db2.gz ANIYOHACYXLRKW-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CCOCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001322132491 803866641 /nfs/dbraw/zinc/86/66/41/803866641.db2.gz ANIYOHACYXLRKW-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CCOCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001322132491 803866650 /nfs/dbraw/zinc/86/66/50/803866650.db2.gz ANIYOHACYXLRKW-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CCOCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001322132491 803866658 /nfs/dbraw/zinc/86/66/58/803866658.db2.gz ANIYOHACYXLRKW-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001323301698 804006900 /nfs/dbraw/zinc/00/69/00/804006900.db2.gz JTTNSYRZWGDLKQ-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001323301698 804006908 /nfs/dbraw/zinc/00/69/08/804006908.db2.gz JTTNSYRZWGDLKQ-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2CCO)C1 ZINC001323301698 804006918 /nfs/dbraw/zinc/00/69/18/804006918.db2.gz JTTNSYRZWGDLKQ-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2CCO)C1 ZINC001323301698 804006928 /nfs/dbraw/zinc/00/69/28/804006928.db2.gz JTTNSYRZWGDLKQ-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001323301693 804007461 /nfs/dbraw/zinc/00/74/61/804007461.db2.gz JTTNSYRZWGDLKQ-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001323301693 804007469 /nfs/dbraw/zinc/00/74/69/804007469.db2.gz JTTNSYRZWGDLKQ-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2CCO)C1 ZINC001323301693 804007475 /nfs/dbraw/zinc/00/74/75/804007475.db2.gz JTTNSYRZWGDLKQ-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2CCO)C1 ZINC001323301693 804007484 /nfs/dbraw/zinc/00/74/84/804007484.db2.gz JTTNSYRZWGDLKQ-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001324005937 804094930 /nfs/dbraw/zinc/09/49/30/804094930.db2.gz MNLPWIGYYJYZQN-NSHDSACASA-N 2 1 257.378 -0.148 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001324005937 804094940 /nfs/dbraw/zinc/09/49/40/804094940.db2.gz MNLPWIGYYJYZQN-NSHDSACASA-N 2 1 257.378 -0.148 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001325380779 804281287 /nfs/dbraw/zinc/28/12/87/804281287.db2.gz PDYVPASBGOGZIM-STQMWFEESA-N 2 1 294.399 -0.449 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001325378058 804281520 /nfs/dbraw/zinc/28/15/20/804281520.db2.gz CYKSACISXBCQSH-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001325733386 804310162 /nfs/dbraw/zinc/31/01/62/804310162.db2.gz FXMPOCGMKRGCQN-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC001325745594 804311514 /nfs/dbraw/zinc/31/15/14/804311514.db2.gz KRMWZDBTKIRYPK-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001325747974 804311694 /nfs/dbraw/zinc/31/16/94/804311694.db2.gz ZDDAVBURISDRJU-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1)C1CC1 ZINC001149842513 815011871 /nfs/dbraw/zinc/01/18/71/815011871.db2.gz VUFQXHWGMDAFGU-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150193479 815020888 /nfs/dbraw/zinc/02/08/88/815020888.db2.gz OKFYBKPCZVCOHV-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150461851 815030904 /nfs/dbraw/zinc/03/09/04/815030904.db2.gz KHXYGKSGEWOWEP-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP CC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150461851 815030910 /nfs/dbraw/zinc/03/09/10/815030910.db2.gz KHXYGKSGEWOWEP-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715404 815040177 /nfs/dbraw/zinc/04/01/77/815040177.db2.gz KJJFPRPHBNAXFQ-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150715359 815041618 /nfs/dbraw/zinc/04/16/18/815041618.db2.gz JURVOJTZYRDNRK-ZDUSSCGKSA-N 2 1 285.388 -0.718 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CCO)CCCO1 ZINC001150796625 815044003 /nfs/dbraw/zinc/04/40/03/815044003.db2.gz WPDFYJJZDFWJNV-ZDUSSCGKSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001150796625 815044008 /nfs/dbraw/zinc/04/40/08/815044008.db2.gz WPDFYJJZDFWJNV-ZDUSSCGKSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150796625 815044014 /nfs/dbraw/zinc/04/40/14/815044014.db2.gz WPDFYJJZDFWJNV-ZDUSSCGKSA-N 2 1 287.404 -0.474 20 0 CBADMP CCCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049195 815052703 /nfs/dbraw/zinc/05/27/03/815052703.db2.gz JVPPGWJPVGSREX-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP CCCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049195 815052710 /nfs/dbraw/zinc/05/27/10/815052710.db2.gz JVPPGWJPVGSREX-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP Cn1nccc1CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151058284 815053883 /nfs/dbraw/zinc/05/38/83/815053883.db2.gz YWNUSKOXHYXWKD-GFCCVEGCSA-N 2 1 279.388 -0.380 20 0 CBADMP Cn1cncc1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049444 815054834 /nfs/dbraw/zinc/05/48/34/815054834.db2.gz OZFIBAPQYUDEID-NSHDSACASA-N 2 1 265.361 -0.422 20 0 CBADMP CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151066982 815056896 /nfs/dbraw/zinc/05/68/96/815056896.db2.gz ZSBNTDRVTZLSGF-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151049590 815055465 /nfs/dbraw/zinc/05/54/65/815055465.db2.gz SVIPCKPVHSWZAV-CYBMUJFWSA-N 2 1 294.403 -0.448 20 0 CBADMP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049393 815055598 /nfs/dbraw/zinc/05/55/98/815055598.db2.gz NAHKKPCDXMBXOC-LBPRGKRZSA-N 2 1 284.404 -0.440 20 0 CBADMP Cc1nccnc1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065728 815055978 /nfs/dbraw/zinc/05/59/78/815055978.db2.gz NKAFEMIDOOLISP-LBPRGKRZSA-N 2 1 277.372 -0.057 20 0 CBADMP CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001151066153 815056083 /nfs/dbraw/zinc/05/60/83/815056083.db2.gz RBQQVDHDBHKDIP-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001151072938 815056551 /nfs/dbraw/zinc/05/65/51/815056551.db2.gz ATSXJPXGJKEMTE-MNOVXSKESA-N 2 1 282.388 -0.689 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151066977 815057088 /nfs/dbraw/zinc/05/70/88/815057088.db2.gz ZQEPMEGNYCHMHR-GFCCVEGCSA-N 2 1 284.404 -0.584 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001151072939 815057640 /nfs/dbraw/zinc/05/76/40/815057640.db2.gz ATSXJPXGJKEMTE-QWRGUYRKSA-N 2 1 282.388 -0.689 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCOC[C@H]2CCCO2)C1 ZINC001151066740 815057871 /nfs/dbraw/zinc/05/78/71/815057871.db2.gz YIASEECULRFDDV-ZIAGYGMSSA-N 2 1 299.415 -0.161 20 0 CBADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073057 815058152 /nfs/dbraw/zinc/05/81/52/815058152.db2.gz FLOXZFMYCDHRLO-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073936 815059506 /nfs/dbraw/zinc/05/95/06/815059506.db2.gz SSPBUMNAFYIFML-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151098159 815060308 /nfs/dbraw/zinc/06/03/08/815060308.db2.gz WALRYWHAUFKKFO-UHFFFAOYSA-N 2 1 266.349 -0.883 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CCc1ccnn1C ZINC001151114444 815062618 /nfs/dbraw/zinc/06/26/18/815062618.db2.gz LYEJTNIXMGWLAX-UHFFFAOYSA-N 2 1 290.371 -0.126 20 0 CBADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147563 815063525 /nfs/dbraw/zinc/06/35/25/815063525.db2.gz RFMNUWIVMDAUBL-NSHDSACASA-N 2 1 295.387 -0.188 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147575 815063671 /nfs/dbraw/zinc/06/36/71/815063671.db2.gz RITDMNVENQTSGN-UHFFFAOYSA-N 2 1 291.359 -0.291 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1ccnn1C ZINC001151147421 815064366 /nfs/dbraw/zinc/06/43/66/815064366.db2.gz MXHJPWABYPGQQV-UHFFFAOYSA-N 2 1 276.344 -0.169 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001151146994 815064426 /nfs/dbraw/zinc/06/44/26/815064426.db2.gz CGFSJLAXSXWZGQ-UHFFFAOYSA-N 2 1 277.332 -0.774 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072544341 805311829 /nfs/dbraw/zinc/31/18/29/805311829.db2.gz JPBIDVSSUHEPHR-RYUDHWBXSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001072544341 805311837 /nfs/dbraw/zinc/31/18/37/805311837.db2.gz JPBIDVSSUHEPHR-RYUDHWBXSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001072544341 805311847 /nfs/dbraw/zinc/31/18/47/805311847.db2.gz JPBIDVSSUHEPHR-RYUDHWBXSA-N 2 1 294.399 -0.511 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CCC1 ZINC001072811792 805337865 /nfs/dbraw/zinc/33/78/65/805337865.db2.gz HIKUOJRRIMAUIU-UHFFFAOYSA-N 2 1 294.399 -0.510 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CCC1 ZINC001072811792 805337873 /nfs/dbraw/zinc/33/78/73/805337873.db2.gz HIKUOJRRIMAUIU-UHFFFAOYSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCCO)C3)C1 ZINC001073425672 805367731 /nfs/dbraw/zinc/36/77/31/805367731.db2.gz DIUKDQXXDSZVFL-CYBMUJFWSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCCO)C3)C1 ZINC001073425672 805367742 /nfs/dbraw/zinc/36/77/42/805367742.db2.gz DIUKDQXXDSZVFL-CYBMUJFWSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCCO)C3)C1 ZINC001073425672 805367748 /nfs/dbraw/zinc/36/77/48/805367748.db2.gz DIUKDQXXDSZVFL-CYBMUJFWSA-N 2 1 281.400 -0.145 20 0 CBADMP NC(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073429785 805368982 /nfs/dbraw/zinc/36/89/82/805368982.db2.gz UWKFDNHLRFDNEG-UHFFFAOYSA-N 2 1 280.372 -0.898 20 0 CBADMP NC(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073429785 805368992 /nfs/dbraw/zinc/36/89/92/805368992.db2.gz UWKFDNHLRFDNEG-UHFFFAOYSA-N 2 1 280.372 -0.898 20 0 CBADMP CNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073429667 805369907 /nfs/dbraw/zinc/36/99/07/805369907.db2.gz NEDDPPZSSGWQRC-UHFFFAOYSA-N 2 1 294.399 -0.638 20 0 CBADMP CNC(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073429667 805369921 /nfs/dbraw/zinc/36/99/21/805369921.db2.gz NEDDPPZSSGWQRC-UHFFFAOYSA-N 2 1 294.399 -0.638 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073430246 805370329 /nfs/dbraw/zinc/37/03/29/805370329.db2.gz AWWLSPNLRHXLBB-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCCO)CCCO1 ZINC001073554180 805388228 /nfs/dbraw/zinc/38/82/28/805388228.db2.gz DNQRSMHQTWZIAZ-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCCO)CCCO1 ZINC001073554180 805388236 /nfs/dbraw/zinc/38/82/36/805388236.db2.gz DNQRSMHQTWZIAZ-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001073554180 805388243 /nfs/dbraw/zinc/38/82/43/805388243.db2.gz DNQRSMHQTWZIAZ-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCCO)CCCO1 ZINC001073554181 805388928 /nfs/dbraw/zinc/38/89/28/805388928.db2.gz DNQRSMHQTWZIAZ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001073554181 805388938 /nfs/dbraw/zinc/38/89/38/805388938.db2.gz DNQRSMHQTWZIAZ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001073554181 805388948 /nfs/dbraw/zinc/38/89/48/805388948.db2.gz DNQRSMHQTWZIAZ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)C1 ZINC001073892022 805424709 /nfs/dbraw/zinc/42/47/09/805424709.db2.gz WTGSQZHUWWLQGE-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCCO2)C1 ZINC001073892022 805424715 /nfs/dbraw/zinc/42/47/15/805424715.db2.gz WTGSQZHUWWLQGE-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073892022 805424720 /nfs/dbraw/zinc/42/47/20/805424720.db2.gz WTGSQZHUWWLQGE-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C)C(N)=O ZINC001074809245 805473541 /nfs/dbraw/zinc/47/35/41/805473541.db2.gz ARCJVIAWRHLNTK-VOAKCMCISA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001075111493 805482835 /nfs/dbraw/zinc/48/28/35/805482835.db2.gz KTLKQRHEEZVVQK-IHRRRGAJSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001075108824 805483412 /nfs/dbraw/zinc/48/34/12/805483412.db2.gz PNILIKKGSDLAOY-TUAOUCFPSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[C@@H](C[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1)OC ZINC001151737440 815087615 /nfs/dbraw/zinc/08/76/15/815087615.db2.gz DBPPSULSRLZJQD-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@@H](C[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)OC ZINC001151737440 815087621 /nfs/dbraw/zinc/08/76/21/815087621.db2.gz DBPPSULSRLZJQD-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCOC)C1 ZINC001151737350 815087941 /nfs/dbraw/zinc/08/79/41/815087941.db2.gz BXNSTYCFWADNBW-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCOC)C1 ZINC001151737350 815087948 /nfs/dbraw/zinc/08/79/48/815087948.db2.gz BXNSTYCFWADNBW-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCF)C1 ZINC001151748053 815088940 /nfs/dbraw/zinc/08/89/40/815088940.db2.gz COOGGSFRILOLCB-NSHDSACASA-N 2 1 261.341 -0.228 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCF)C1 ZINC001151748053 815088945 /nfs/dbraw/zinc/08/89/45/815088945.db2.gz COOGGSFRILOLCB-NSHDSACASA-N 2 1 261.341 -0.228 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCCOC2)C1 ZINC001151748371 815090310 /nfs/dbraw/zinc/09/03/10/815090310.db2.gz DREHSHYRYRSPGX-KBPBESRZSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCCOC2)C1 ZINC001151748371 815090316 /nfs/dbraw/zinc/09/03/16/815090316.db2.gz DREHSHYRYRSPGX-KBPBESRZSA-N 2 1 299.415 -0.161 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152138135 815106391 /nfs/dbraw/zinc/10/63/91/815106391.db2.gz SGJUTCVHSLKHDP-PHIMTYICSA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]CCCO ZINC001152145349 815106888 /nfs/dbraw/zinc/10/68/88/815106888.db2.gz BAXAVYDTWCVRQN-TXEJJXNPSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001152138170 815106990 /nfs/dbraw/zinc/10/69/90/815106990.db2.gz TYLXCNHNDDIMIP-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152223765 815111432 /nfs/dbraw/zinc/11/14/32/815111432.db2.gz OELNLRQCGUNBAS-UHFFFAOYSA-N 2 1 294.403 -0.103 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001152432906 815120612 /nfs/dbraw/zinc/12/06/12/815120612.db2.gz QBGDIPLDRZOQKU-UHFFFAOYSA-N 2 1 284.404 -0.441 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152439637 815120733 /nfs/dbraw/zinc/12/07/33/815120733.db2.gz QDVUUMWAXIXYPH-UHFFFAOYSA-N 2 1 282.392 -0.156 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152426851 815120984 /nfs/dbraw/zinc/12/09/84/815120984.db2.gz ORWLFNSJOKDOJN-UHFFFAOYSA-N 2 1 272.393 -0.441 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152432577 815121380 /nfs/dbraw/zinc/12/13/80/815121380.db2.gz LNEPYZGTMJVCII-SNVBAGLBSA-N 2 1 258.366 -0.833 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001152446425 815122621 /nfs/dbraw/zinc/12/26/21/815122621.db2.gz YMYMBPFHEHMXAZ-UHFFFAOYSA-N 2 1 298.387 -0.819 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001152457710 815124112 /nfs/dbraw/zinc/12/41/12/815124112.db2.gz HJEAQAGHTKOJCG-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001152457708 815124269 /nfs/dbraw/zinc/12/42/69/815124269.db2.gz HJEAQAGHTKOJCG-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001152458022 815124317 /nfs/dbraw/zinc/12/43/17/815124317.db2.gz KTYIVQPKKDLNTB-VXGBXAGGSA-N 2 1 257.378 -0.053 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCOCCO ZINC001152459141 815124438 /nfs/dbraw/zinc/12/44/38/815124438.db2.gz ZSRHLVSQCVHPDY-CYBMUJFWSA-N 2 1 287.404 -0.425 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001152457712 815124645 /nfs/dbraw/zinc/12/46/45/815124645.db2.gz HJEAQAGHTKOJCG-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154034031 815195072 /nfs/dbraw/zinc/19/50/72/815195072.db2.gz TXVDUWATNJXFMT-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154034031 815195074 /nfs/dbraw/zinc/19/50/74/815195074.db2.gz TXVDUWATNJXFMT-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154034031 815195078 /nfs/dbraw/zinc/19/50/78/815195078.db2.gz TXVDUWATNJXFMT-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154034031 815195082 /nfs/dbraw/zinc/19/50/82/815195082.db2.gz TXVDUWATNJXFMT-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CS(=O)(=O)CCNc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001154926524 815250223 /nfs/dbraw/zinc/25/02/23/815250223.db2.gz DFVJKVLLEXIQCD-UHFFFAOYSA-N 2 1 299.400 -0.139 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255743 815273207 /nfs/dbraw/zinc/27/32/07/815273207.db2.gz ZISZVKLGDJFEHR-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255743 815273213 /nfs/dbraw/zinc/27/32/13/815273213.db2.gz ZISZVKLGDJFEHR-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155255743 815273218 /nfs/dbraw/zinc/27/32/18/815273218.db2.gz ZISZVKLGDJFEHR-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155255743 815273220 /nfs/dbraw/zinc/27/32/20/815273220.db2.gz ZISZVKLGDJFEHR-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP c1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)nc(N2CCOCC2)[nH+]1 ZINC001155543772 815291389 /nfs/dbraw/zinc/29/13/89/815291389.db2.gz RLGWMUXZLWCBMF-BXUZGUMPSA-N 2 1 291.355 -0.144 20 0 CBADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1COC[NH2+]1 ZINC001160628903 815645638 /nfs/dbraw/zinc/64/56/38/815645638.db2.gz IMGIVGZIWFOUFG-ZDUSSCGKSA-N 3 1 286.420 -0.336 20 0 CBADMP CCn1ncnc1C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155789923 815312017 /nfs/dbraw/zinc/31/20/17/815312017.db2.gz HXUCIPQSQJRDTB-GFCCVEGCSA-N 2 1 294.403 -0.012 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001155795582 815312634 /nfs/dbraw/zinc/31/26/34/815312634.db2.gz JADRKGRZPWXMPU-LBPRGKRZSA-N 2 1 273.377 -0.815 20 0 CBADMP CCn1nncc1C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155791019 815313778 /nfs/dbraw/zinc/31/37/78/815313778.db2.gz QSBPTHUPVLSGJY-ZDUSSCGKSA-N 2 1 294.403 -0.012 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001155813575 815314595 /nfs/dbraw/zinc/31/45/95/815314595.db2.gz SKDURGPDSYNYRR-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001155814096 815314954 /nfs/dbraw/zinc/31/49/54/815314954.db2.gz VGAVKFFHUSWQJJ-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001155813578 815315684 /nfs/dbraw/zinc/31/56/84/815315684.db2.gz SKDURGPDSYNYRR-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H]2CCOC2)C1 ZINC001156126125 815338347 /nfs/dbraw/zinc/33/83/47/815338347.db2.gz RSPLPGYYQFCWFS-CHWSQXEVSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H]2CCOC2)C1 ZINC001156126125 815338353 /nfs/dbraw/zinc/33/83/53/815338353.db2.gz RSPLPGYYQFCWFS-CHWSQXEVSA-N 2 1 285.388 -0.551 20 0 CBADMP CC(C)OCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156125124 815338559 /nfs/dbraw/zinc/33/85/59/815338559.db2.gz IGVQJAPIQUVFHG-ZDUSSCGKSA-N 2 1 287.404 -0.162 20 0 CBADMP CC(C)OCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156125124 815338565 /nfs/dbraw/zinc/33/85/65/815338565.db2.gz IGVQJAPIQUVFHG-ZDUSSCGKSA-N 2 1 287.404 -0.162 20 0 CBADMP COC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156125993 815339392 /nfs/dbraw/zinc/33/93/92/815339392.db2.gz QZGCQGPIULWNOU-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP COC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156125993 815339399 /nfs/dbraw/zinc/33/93/99/815339399.db2.gz QZGCQGPIULWNOU-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP CO[C@H](C)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144238 815340075 /nfs/dbraw/zinc/34/00/75/815340075.db2.gz CFEDTLCOBVSRPD-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP CO[C@H](C)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144238 815340082 /nfs/dbraw/zinc/34/00/82/815340082.db2.gz CFEDTLCOBVSRPD-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP Cn1ccc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001156145780 815341509 /nfs/dbraw/zinc/34/15/09/815341509.db2.gz PZAFOMYFMAOCIC-CYBMUJFWSA-N 2 1 295.387 -0.653 20 0 CBADMP Cn1ccc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001156145780 815341515 /nfs/dbraw/zinc/34/15/15/815341515.db2.gz PZAFOMYFMAOCIC-CYBMUJFWSA-N 2 1 295.387 -0.653 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001086090204 810241004 /nfs/dbraw/zinc/24/10/04/810241004.db2.gz MOXJYQXVWGYNMS-WISYIIOYSA-N 2 1 282.388 -0.704 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001086122480 810243363 /nfs/dbraw/zinc/24/33/63/810243363.db2.gz MUIDTEIIVKIPCB-NDBYEHHHSA-N 2 1 296.415 -0.171 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001086177398 810247339 /nfs/dbraw/zinc/24/73/39/810247339.db2.gz SIAVEGXDZGIIHR-HZSPNIEDSA-N 2 1 299.415 -0.428 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001086177399 810247700 /nfs/dbraw/zinc/24/77/00/810247700.db2.gz SIAVEGXDZGIIHR-MJBXVCDLSA-N 2 1 299.415 -0.428 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001086324555 810260809 /nfs/dbraw/zinc/26/08/09/810260809.db2.gz CSFVMNXUUGOETQ-KKOKHZNYSA-N 2 1 282.388 -0.561 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086381629 810265889 /nfs/dbraw/zinc/26/58/89/810265889.db2.gz CCIDLGKOQQTFEC-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@@H+](CCO)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156373967 815356613 /nfs/dbraw/zinc/35/66/13/815356613.db2.gz HDVUKLMWWMSZAH-GFCCVEGCSA-N 2 1 275.393 -0.617 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086550857 810278387 /nfs/dbraw/zinc/27/83/87/810278387.db2.gz YCDKMSRSIHUXDH-ZDEQEGDKSA-N 2 1 294.399 -0.689 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001086552040 810278402 /nfs/dbraw/zinc/27/84/02/810278402.db2.gz UDKAAJGLMQKUMG-IJLUTSLNSA-N 2 1 255.362 -0.585 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086551865 810279310 /nfs/dbraw/zinc/27/93/10/810279310.db2.gz OCUYRVLWDUCHTA-CYDGBPFRSA-N 2 1 269.389 -0.197 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001086556354 810280056 /nfs/dbraw/zinc/28/00/56/810280056.db2.gz SQTFVEYEPFGCKR-AAVRWANBSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001086556354 810280062 /nfs/dbraw/zinc/28/00/62/810280062.db2.gz SQTFVEYEPFGCKR-AAVRWANBSA-N 2 1 299.415 -0.428 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCO)C2)C1 ZINC001086665930 810281876 /nfs/dbraw/zinc/28/18/76/810281876.db2.gz UCRLMSCECKDBIC-YNEHKIRRSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCO)C2)C1 ZINC001086665930 810281881 /nfs/dbraw/zinc/28/18/81/810281881.db2.gz UCRLMSCECKDBIC-YNEHKIRRSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086875511 810288314 /nfs/dbraw/zinc/28/83/14/810288314.db2.gz VSYVGTDIBSOHDA-SDDRHHMPSA-N 2 1 282.388 -0.702 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1OCC ZINC001087038320 810288904 /nfs/dbraw/zinc/28/89/04/810288904.db2.gz ADZLVHKTZRLHNA-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1OCC ZINC001087038320 810288911 /nfs/dbraw/zinc/28/89/11/810288911.db2.gz ADZLVHKTZRLHNA-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CCO ZINC001087622450 810301103 /nfs/dbraw/zinc/30/11/03/810301103.db2.gz NBZCJZPALAXAKI-XJFOESAGSA-N 2 1 299.415 -0.333 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CCO ZINC001087622450 810301111 /nfs/dbraw/zinc/30/11/11/810301111.db2.gz NBZCJZPALAXAKI-XJFOESAGSA-N 2 1 299.415 -0.333 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CCO ZINC001087622450 810301119 /nfs/dbraw/zinc/30/11/19/810301119.db2.gz NBZCJZPALAXAKI-XJFOESAGSA-N 2 1 299.415 -0.333 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CCO ZINC001087622450 810301127 /nfs/dbraw/zinc/30/11/27/810301127.db2.gz NBZCJZPALAXAKI-XJFOESAGSA-N 2 1 299.415 -0.333 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC ZINC001087827922 810307893 /nfs/dbraw/zinc/30/78/93/810307893.db2.gz RDMJVMSIXHUDKR-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC ZINC001087827922 810307897 /nfs/dbraw/zinc/30/78/97/810307897.db2.gz RDMJVMSIXHUDKR-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC ZINC001087827922 810307906 /nfs/dbraw/zinc/30/79/06/810307906.db2.gz RDMJVMSIXHUDKR-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC ZINC001087827922 810307912 /nfs/dbraw/zinc/30/79/12/810307912.db2.gz RDMJVMSIXHUDKR-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCO)CC[C@@H]3C2)C1 ZINC001087920448 810312854 /nfs/dbraw/zinc/31/28/54/810312854.db2.gz POSZDPUDLUBBPM-HZSPNIEDSA-N 2 1 297.399 -0.910 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCO)CC[C@@H]3C2)C1 ZINC001087920448 810312861 /nfs/dbraw/zinc/31/28/61/810312861.db2.gz POSZDPUDLUBBPM-HZSPNIEDSA-N 2 1 297.399 -0.910 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCO)CC[C@@H]3C2)C1 ZINC001087920448 810312867 /nfs/dbraw/zinc/31/28/67/810312867.db2.gz POSZDPUDLUBBPM-HZSPNIEDSA-N 2 1 297.399 -0.910 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)C1 ZINC001087920448 810312870 /nfs/dbraw/zinc/31/28/70/810312870.db2.gz POSZDPUDLUBBPM-HZSPNIEDSA-N 2 1 297.399 -0.910 20 0 CBADMP O=C(N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001088172312 810323788 /nfs/dbraw/zinc/32/37/88/810323788.db2.gz FWMORVUJOGXXDI-KGLIPLIRSA-N 2 1 293.411 -0.145 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCO)C2)C1 ZINC001088287947 810325379 /nfs/dbraw/zinc/32/53/79/810325379.db2.gz IQCCNQFNCGSWHJ-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCO)C2)C1 ZINC001088287947 810325385 /nfs/dbraw/zinc/32/53/85/810325385.db2.gz IQCCNQFNCGSWHJ-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCO ZINC001088493795 810334098 /nfs/dbraw/zinc/33/40/98/810334098.db2.gz YVCGDNFJULHVQS-WOPDTQHZSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CCO ZINC001088493795 810334106 /nfs/dbraw/zinc/33/41/06/810334106.db2.gz YVCGDNFJULHVQS-WOPDTQHZSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCO ZINC001088493795 810334114 /nfs/dbraw/zinc/33/41/14/810334114.db2.gz YVCGDNFJULHVQS-WOPDTQHZSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CCO ZINC001088493795 810334122 /nfs/dbraw/zinc/33/41/22/810334122.db2.gz YVCGDNFJULHVQS-WOPDTQHZSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CCCO ZINC001088658492 810348667 /nfs/dbraw/zinc/34/86/67/810348667.db2.gz DKRXJNVOLVMTQA-YIYPIFLZSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CCCO ZINC001088658492 810348677 /nfs/dbraw/zinc/34/86/77/810348677.db2.gz DKRXJNVOLVMTQA-YIYPIFLZSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CCCO ZINC001088658492 810348683 /nfs/dbraw/zinc/34/86/83/810348683.db2.gz DKRXJNVOLVMTQA-YIYPIFLZSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CCCO ZINC001088658492 810348689 /nfs/dbraw/zinc/34/86/89/810348689.db2.gz DKRXJNVOLVMTQA-YIYPIFLZSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC(N)=O ZINC001088898895 810366741 /nfs/dbraw/zinc/36/67/41/810366741.db2.gz AHDADQAJGSKCJQ-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC(N)=O ZINC001088898895 810366743 /nfs/dbraw/zinc/36/67/43/810366743.db2.gz AHDADQAJGSKCJQ-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP COC(=O)C1(Nc2ncnc3c2C[NH2+]C3)CC[NH2+]CC1 ZINC001156528448 815364433 /nfs/dbraw/zinc/36/44/33/815364433.db2.gz AREUHBMDTLJVNC-UHFFFAOYSA-N 2 1 277.328 -0.213 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCO ZINC001088984346 810371509 /nfs/dbraw/zinc/37/15/09/810371509.db2.gz VTWLLVOFTBBJBA-NEPJUHHUSA-N 2 1 267.373 -0.347 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N(C)C ZINC001089037504 810373756 /nfs/dbraw/zinc/37/37/56/810373756.db2.gz HGZLAQZLVGYKBZ-AGIUHOORSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N(C)C ZINC001089037504 810373760 /nfs/dbraw/zinc/37/37/60/810373760.db2.gz HGZLAQZLVGYKBZ-AGIUHOORSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N(C)C ZINC001089037504 810373767 /nfs/dbraw/zinc/37/37/67/810373767.db2.gz HGZLAQZLVGYKBZ-AGIUHOORSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N(C)C ZINC001089037504 810373778 /nfs/dbraw/zinc/37/37/78/810373778.db2.gz HGZLAQZLVGYKBZ-AGIUHOORSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O)[NH+]1CCCC1 ZINC001090490661 810508671 /nfs/dbraw/zinc/50/86/71/810508671.db2.gz SUCYSZXOGQHFNB-CHWSQXEVSA-N 2 1 299.415 -0.596 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](CCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090731766 810559014 /nfs/dbraw/zinc/55/90/14/810559014.db2.gz WBTSLNAMDGFONH-RYUDHWBXSA-N 2 1 285.363 -0.397 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090731766 810559020 /nfs/dbraw/zinc/55/90/20/810559020.db2.gz WBTSLNAMDGFONH-RYUDHWBXSA-N 2 1 285.363 -0.397 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090731123 810559276 /nfs/dbraw/zinc/55/92/76/810559276.db2.gz PQWLWTMOTVIYOB-OLZOCXBDSA-N 2 1 297.399 -0.984 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090817849 810573347 /nfs/dbraw/zinc/57/33/47/810573347.db2.gz SWWPYCMBKLOCHL-OLZOCXBDSA-N 2 1 287.379 -0.007 20 0 CBADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091780512 810615351 /nfs/dbraw/zinc/61/53/51/810615351.db2.gz NTFFTOYXJDJKQK-JMSVASOKSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093134158 810645293 /nfs/dbraw/zinc/64/52/93/810645293.db2.gz WLAGFYBPJNXTBU-CHWSQXEVSA-N 2 1 281.400 -0.241 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093193979 810647708 /nfs/dbraw/zinc/64/77/08/810647708.db2.gz SCMVNIUMTWSWPJ-JHJVBQTASA-N 2 1 296.415 -0.632 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093193979 810647710 /nfs/dbraw/zinc/64/77/10/810647710.db2.gz SCMVNIUMTWSWPJ-JHJVBQTASA-N 2 1 296.415 -0.632 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093193979 810647715 /nfs/dbraw/zinc/64/77/15/810647715.db2.gz SCMVNIUMTWSWPJ-JHJVBQTASA-N 2 1 296.415 -0.632 20 0 CBADMP CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001093343897 810651913 /nfs/dbraw/zinc/65/19/13/810651913.db2.gz WDKKTFJIMHXFHK-NSHDSACASA-N 2 1 292.387 -0.277 20 0 CBADMP CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2=O)C1 ZINC001094713590 810726430 /nfs/dbraw/zinc/72/64/30/810726430.db2.gz DIPYLPXJDRCVDM-YPMHNXCESA-N 2 1 294.399 -0.498 20 0 CBADMP CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2=O)C1 ZINC001094713590 810726438 /nfs/dbraw/zinc/72/64/38/810726438.db2.gz DIPYLPXJDRCVDM-YPMHNXCESA-N 2 1 294.399 -0.498 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCO ZINC001095234232 810745072 /nfs/dbraw/zinc/74/50/72/810745072.db2.gz MJPZJBHMWMMHCF-VOAKCMCISA-N 2 1 267.373 -0.206 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCO ZINC001095234232 810745077 /nfs/dbraw/zinc/74/50/77/810745077.db2.gz MJPZJBHMWMMHCF-VOAKCMCISA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001095234232 810745081 /nfs/dbraw/zinc/74/50/81/810745081.db2.gz MJPZJBHMWMMHCF-VOAKCMCISA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001095234232 810745087 /nfs/dbraw/zinc/74/50/87/810745087.db2.gz MJPZJBHMWMMHCF-VOAKCMCISA-N 2 1 267.373 -0.206 20 0 CBADMP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157013022 815398951 /nfs/dbraw/zinc/39/89/51/815398951.db2.gz DVRGWWJOIFQKER-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157013022 815398957 /nfs/dbraw/zinc/39/89/57/815398957.db2.gz DVRGWWJOIFQKER-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCO)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001157013022 815398964 /nfs/dbraw/zinc/39/89/64/815398964.db2.gz DVRGWWJOIFQKER-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCO)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001157013022 815398969 /nfs/dbraw/zinc/39/89/69/815398969.db2.gz DVRGWWJOIFQKER-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157013023 815399411 /nfs/dbraw/zinc/39/94/11/815399411.db2.gz DVRGWWJOIFQKER-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157013023 815399418 /nfs/dbraw/zinc/39/94/18/815399418.db2.gz DVRGWWJOIFQKER-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCO)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001157013023 815399425 /nfs/dbraw/zinc/39/94/25/815399425.db2.gz DVRGWWJOIFQKER-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCO)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001157013023 815399432 /nfs/dbraw/zinc/39/94/32/815399432.db2.gz DVRGWWJOIFQKER-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971096 810980528 /nfs/dbraw/zinc/98/05/28/810980528.db2.gz AMCFVGODDGYRRH-NWDGAFQWSA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974665 810981724 /nfs/dbraw/zinc/98/17/24/810981724.db2.gz SWPZEHSYOKTJCH-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974667 810981824 /nfs/dbraw/zinc/98/18/24/810981824.db2.gz SWPZEHSYOKTJCH-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099973700 810982608 /nfs/dbraw/zinc/98/26/08/810982608.db2.gz HOBKHGPQEDHFFO-VXGBXAGGSA-N 2 1 275.368 -0.151 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099973700 810982618 /nfs/dbraw/zinc/98/26/18/810982618.db2.gz HOBKHGPQEDHFFO-VXGBXAGGSA-N 2 1 275.368 -0.151 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099973613 810982771 /nfs/dbraw/zinc/98/27/71/810982771.db2.gz GGXNJOUVKHVCJF-CHWSQXEVSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099988091 810986170 /nfs/dbraw/zinc/98/61/70/810986170.db2.gz CATISHKSJKPTTB-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037337 810998102 /nfs/dbraw/zinc/99/81/02/810998102.db2.gz XSFJCRJOLJPADI-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037337 810998107 /nfs/dbraw/zinc/99/81/07/810998107.db2.gz XSFJCRJOLJPADI-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100050098 811005744 /nfs/dbraw/zinc/00/57/44/811005744.db2.gz BXHCDUGSJCXVQN-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050095 811006172 /nfs/dbraw/zinc/00/61/72/811006172.db2.gz BXHCDUGSJCXVQN-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC)C[C@@H]1O ZINC001100064199 811010083 /nfs/dbraw/zinc/01/00/83/811010083.db2.gz JUMSQCIIPUXPBH-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC)C[C@@H]1O ZINC001100064199 811010089 /nfs/dbraw/zinc/01/00/89/811010089.db2.gz JUMSQCIIPUXPBH-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC)C[C@@H]1O ZINC001100064199 811010094 /nfs/dbraw/zinc/01/00/94/811010094.db2.gz JUMSQCIIPUXPBH-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC)C[C@@H]1O ZINC001100064197 811010389 /nfs/dbraw/zinc/01/03/89/811010389.db2.gz JUMSQCIIPUXPBH-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC)C[C@@H]1O ZINC001100064197 811010395 /nfs/dbraw/zinc/01/03/95/811010395.db2.gz JUMSQCIIPUXPBH-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC)C[C@@H]1O ZINC001100064197 811010400 /nfs/dbraw/zinc/01/04/00/811010400.db2.gz JUMSQCIIPUXPBH-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCO)C[C@H]1O ZINC001100067454 811010656 /nfs/dbraw/zinc/01/06/56/811010656.db2.gz RRZZLQOURMOEBX-QWHCGFSZSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100067454 811010665 /nfs/dbraw/zinc/01/06/65/811010665.db2.gz RRZZLQOURMOEBX-QWHCGFSZSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100067454 811010674 /nfs/dbraw/zinc/01/06/74/811010674.db2.gz RRZZLQOURMOEBX-QWHCGFSZSA-N 2 1 287.404 -0.738 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100077243 811014048 /nfs/dbraw/zinc/01/40/48/811014048.db2.gz ZIRWYRLZZKQGAO-QWHCGFSZSA-N 2 1 287.404 -0.738 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001100077019 811015789 /nfs/dbraw/zinc/01/57/89/811015789.db2.gz WQQVYLZZPDMSGV-UONOGXRCSA-N 2 1 299.415 -0.474 20 0 CBADMP CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001100185550 811034125 /nfs/dbraw/zinc/03/41/25/811034125.db2.gz FKPASAPQMJGLIH-BPCQOVAHSA-N 2 1 296.415 -0.299 20 0 CBADMP COCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001100211857 811038168 /nfs/dbraw/zinc/03/81/68/811038168.db2.gz DFYHYAYJSRKVSR-WXRRBKDZSA-N 2 1 285.388 -0.552 20 0 CBADMP COCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001100211857 811038179 /nfs/dbraw/zinc/03/81/79/811038179.db2.gz DFYHYAYJSRKVSR-WXRRBKDZSA-N 2 1 285.388 -0.552 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100676862 811071923 /nfs/dbraw/zinc/07/19/23/811071923.db2.gz UNYRYNOAFCUSJS-VOMCLLRMSA-N 2 1 282.388 -0.560 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CCCO)C2)C1 ZINC001100981038 811089269 /nfs/dbraw/zinc/08/92/69/811089269.db2.gz RVTGRBNTYCNXCB-CPCZMJQVSA-N 2 1 269.389 -0.195 20 0 CBADMP CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001100981066 811089368 /nfs/dbraw/zinc/08/93/68/811089368.db2.gz UDFIRFWAKBPLML-CPCZMJQVSA-N 2 1 296.415 -0.441 20 0 CBADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001101432776 811103537 /nfs/dbraw/zinc/10/35/37/811103537.db2.gz ZOMUFTKNDJKUQO-HIFRSBDPSA-N 2 1 299.415 -0.663 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351460 811103670 /nfs/dbraw/zinc/10/36/70/811103670.db2.gz GMHBSODSJDUAEP-JMSVASOKSA-N 2 1 296.415 -0.408 20 0 CBADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001103550491 811183251 /nfs/dbraw/zinc/18/32/51/811183251.db2.gz SJRZJBQILSNHNS-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103719034 811185102 /nfs/dbraw/zinc/18/51/02/811185102.db2.gz ODZHCPABTTVROU-UPJWGTAASA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103719034 811185109 /nfs/dbraw/zinc/18/51/09/811185109.db2.gz ODZHCPABTTVROU-UPJWGTAASA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103719034 811185113 /nfs/dbraw/zinc/18/51/13/811185113.db2.gz ODZHCPABTTVROU-UPJWGTAASA-N 2 1 296.415 -0.502 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104872407 811212965 /nfs/dbraw/zinc/21/29/65/811212965.db2.gz GIDCUJPFAIBSIN-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104938044 811213560 /nfs/dbraw/zinc/21/35/60/811213560.db2.gz NLRVYQSACWAYTI-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP CCOC(=O)c1cn[nH]c1CNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001157439286 815433768 /nfs/dbraw/zinc/43/37/68/815433768.db2.gz COFSMALXJPNAMY-VIFPVBQESA-N 2 1 283.332 -0.731 20 0 CBADMP CC[NH+]1CC(n2cc(CNC(=O)CC[NH+](C)C)nn2)C1 ZINC001107202492 811334190 /nfs/dbraw/zinc/33/41/90/811334190.db2.gz INXREZJXWYGRQW-UHFFFAOYSA-N 2 1 280.376 -0.277 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157521389 815440872 /nfs/dbraw/zinc/44/08/72/815440872.db2.gz HHHIMKBHNPZSJK-LURJTMIESA-N 2 1 292.265 -0.685 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108395284 811443136 /nfs/dbraw/zinc/44/31/36/811443136.db2.gz QONCMXOEZAJSRP-JSGCOSHPSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108395284 811443143 /nfs/dbraw/zinc/44/31/43/811443143.db2.gz QONCMXOEZAJSRP-JSGCOSHPSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)C1 ZINC001108395284 811443146 /nfs/dbraw/zinc/44/31/46/811443146.db2.gz QONCMXOEZAJSRP-JSGCOSHPSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)C1 ZINC001108395284 811443152 /nfs/dbraw/zinc/44/31/52/811443152.db2.gz QONCMXOEZAJSRP-JSGCOSHPSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)C1 ZINC001108395288 811444300 /nfs/dbraw/zinc/44/43/00/811444300.db2.gz QONCMXOEZAJSRP-TZMCWYRMSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108395288 811444291 /nfs/dbraw/zinc/44/42/91/811444291.db2.gz QONCMXOEZAJSRP-TZMCWYRMSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108395288 811444296 /nfs/dbraw/zinc/44/42/96/811444296.db2.gz QONCMXOEZAJSRP-TZMCWYRMSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)C1 ZINC001108395288 811444304 /nfs/dbraw/zinc/44/43/04/811444304.db2.gz QONCMXOEZAJSRP-TZMCWYRMSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[NH+]1CC(N2C[C@H](NC(=O)CCC[NH+](C)C)CC2=O)C1 ZINC001108566113 811459654 /nfs/dbraw/zinc/45/96/54/811459654.db2.gz DVBXRILGYCDNEP-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1Cc2cncnc2C1 ZINC001157708764 815455449 /nfs/dbraw/zinc/45/54/49/815455449.db2.gz ZRZUVLKEYRIVGL-UHFFFAOYSA-N 2 1 261.329 -0.340 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC ZINC001109927268 811504536 /nfs/dbraw/zinc/50/45/36/811504536.db2.gz ZJRZVBNGQMDIKG-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC ZINC001109927268 811504544 /nfs/dbraw/zinc/50/45/44/811504544.db2.gz ZJRZVBNGQMDIKG-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001109927268 811504549 /nfs/dbraw/zinc/50/45/49/811504549.db2.gz ZJRZVBNGQMDIKG-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001109927268 811504558 /nfs/dbraw/zinc/50/45/58/811504558.db2.gz ZJRZVBNGQMDIKG-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(N)=O ZINC001109865262 811504884 /nfs/dbraw/zinc/50/48/84/811504884.db2.gz MIZFPDYKEYECCN-NDBYEHHHSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(N)=O ZINC001109865262 811504892 /nfs/dbraw/zinc/50/48/92/811504892.db2.gz MIZFPDYKEYECCN-NDBYEHHHSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(N)=O ZINC001109928012 811505015 /nfs/dbraw/zinc/50/50/15/811505015.db2.gz CLXOGSWDLFXJDX-NDBYEHHHSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(N)=O ZINC001109928012 811505019 /nfs/dbraw/zinc/50/50/19/811505019.db2.gz CLXOGSWDLFXJDX-NDBYEHHHSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(N)=O ZINC001109928012 811505023 /nfs/dbraw/zinc/50/50/23/811505023.db2.gz CLXOGSWDLFXJDX-NDBYEHHHSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(N)=O ZINC001109928012 811505026 /nfs/dbraw/zinc/50/50/26/811505026.db2.gz CLXOGSWDLFXJDX-NDBYEHHHSA-N 2 1 296.415 -0.077 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001111281164 811543928 /nfs/dbraw/zinc/54/39/28/811543928.db2.gz HPMVCDPHHCPLHX-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC001157730813 815459493 /nfs/dbraw/zinc/45/94/93/815459493.db2.gz PLCHXSABUUALTN-AAEUAGOBSA-N 2 1 283.351 -0.041 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001157745236 815461395 /nfs/dbraw/zinc/46/13/95/815461395.db2.gz MWMLRFMPUNPTCK-SCVCMEIPSA-N 2 1 258.341 -0.645 20 0 CBADMP COC[C@@H](O)C[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001113292427 811628374 /nfs/dbraw/zinc/62/83/74/811628374.db2.gz ZKFZTMZXOLJTPC-AWEZNQCLSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC001113499291 811643635 /nfs/dbraw/zinc/64/36/35/811643635.db2.gz SAKDCSXMLMBGRR-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC001113499291 811643638 /nfs/dbraw/zinc/64/36/38/811643638.db2.gz SAKDCSXMLMBGRR-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC001113499292 811644403 /nfs/dbraw/zinc/64/44/03/811644403.db2.gz SAKDCSXMLMBGRR-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC001113499292 811644407 /nfs/dbraw/zinc/64/44/07/811644407.db2.gz SAKDCSXMLMBGRR-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP COC[C@H](O)C[NH+]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001113538363 811644798 /nfs/dbraw/zinc/64/47/98/811644798.db2.gz KVHOUPDOFYLTAK-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@H](O)C[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113538363 811644802 /nfs/dbraw/zinc/64/48/02/811644802.db2.gz KVHOUPDOFYLTAK-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113545567 811647360 /nfs/dbraw/zinc/64/73/60/811647360.db2.gz WCDSETDBJCGMPD-GFCCVEGCSA-N 2 1 273.377 -0.910 20 0 CBADMP O=C(CCC[NH+]1CCCC1)N1CC[NH+](CCO)CC1 ZINC001113679105 811653235 /nfs/dbraw/zinc/65/32/35/811653235.db2.gz CAABBRKRAOQIDS-UHFFFAOYSA-N 2 1 269.389 -0.001 20 0 CBADMP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157842418 815471067 /nfs/dbraw/zinc/47/10/67/815471067.db2.gz LHBYEIUXWIDOGR-NEPJUHHUSA-N 3 1 268.405 -0.086 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114405133 811747497 /nfs/dbraw/zinc/74/74/97/811747497.db2.gz NQGVENAIXHZTHY-WYUUTHIRSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114405133 811747501 /nfs/dbraw/zinc/74/75/01/811747501.db2.gz NQGVENAIXHZTHY-WYUUTHIRSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H]1CC[C@@H](CO)CN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157854427 815472151 /nfs/dbraw/zinc/47/21/51/815472151.db2.gz DALSSQZRNLHJLQ-NWDGAFQWSA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@@H]1CC[C@H](CO)CN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157854426 815472297 /nfs/dbraw/zinc/47/22/97/815472297.db2.gz DALSSQZRNLHJLQ-NEPJUHHUSA-N 2 1 269.389 -0.053 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157887346 815476558 /nfs/dbraw/zinc/47/65/58/815476558.db2.gz SQOCRCVMLLNFRN-GFCCVEGCSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@]1(O)CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C[C@@H]1F ZINC001157889524 815476956 /nfs/dbraw/zinc/47/69/56/815476956.db2.gz KGRSUWMKUWIJIH-WCQYABFASA-N 2 1 273.352 -0.351 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001157877566 815477170 /nfs/dbraw/zinc/47/71/70/815477170.db2.gz INJVDIHQJIQAOP-CSMHCCOUSA-N 2 1 269.267 -0.708 20 0 CBADMP O=C(N1CCc2nc[nH]c2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157922770 815483016 /nfs/dbraw/zinc/48/30/16/815483016.db2.gz XKFPOXCHWSVREZ-QMTHXVAHSA-N 2 1 275.356 -0.507 20 0 CBADMP CC(C)(C)N(C[C@@H](O)CO)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001158015640 815499380 /nfs/dbraw/zinc/49/93/80/815499380.db2.gz UKCWDYXUHVTZSG-GFCCVEGCSA-N 2 1 287.404 -0.692 20 0 CBADMP NC(=O)CCNc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001158106806 815505584 /nfs/dbraw/zinc/50/55/84/815505584.db2.gz FKQSFMNLXSMXSK-UHFFFAOYSA-N 2 1 264.333 -0.309 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750198 812156672 /nfs/dbraw/zinc/15/66/72/812156672.db2.gz CPNWYOSVIJMIQJ-CIQGVGRVSA-N 2 1 269.389 -0.245 20 0 CBADMP Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)n1 ZINC001114773863 812158962 /nfs/dbraw/zinc/15/89/62/812158962.db2.gz DCTYCSLWQXIZGO-NHAGDIPZSA-N 2 1 291.399 -0.082 20 0 CBADMP Cn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)n1 ZINC001114773863 812158967 /nfs/dbraw/zinc/15/89/67/812158967.db2.gz DCTYCSLWQXIZGO-NHAGDIPZSA-N 2 1 291.399 -0.082 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[NH+](C)C ZINC001114853917 812164255 /nfs/dbraw/zinc/16/42/55/812164255.db2.gz HXSGVCSUYMFMIX-QNWHQSFQSA-N 2 1 269.389 -0.245 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114980834 812171063 /nfs/dbraw/zinc/17/10/63/812171063.db2.gz ZUDOOOBPPAFQNE-NHAGDIPZSA-N 2 1 297.399 -0.863 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114980834 812171069 /nfs/dbraw/zinc/17/10/69/812171069.db2.gz ZUDOOOBPPAFQNE-NHAGDIPZSA-N 2 1 297.399 -0.863 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126709 812180600 /nfs/dbraw/zinc/18/06/00/812180600.db2.gz SLTGPVRXRJDPGN-IMRBUKKESA-N 2 1 285.388 -0.743 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001115161805 812183532 /nfs/dbraw/zinc/18/35/32/812183532.db2.gz NBNQADBZFYJMGF-PJXYFTJBSA-N 2 1 255.362 -0.633 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115161805 812183537 /nfs/dbraw/zinc/18/35/37/812183537.db2.gz NBNQADBZFYJMGF-PJXYFTJBSA-N 2 1 255.362 -0.633 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115161805 812183544 /nfs/dbraw/zinc/18/35/44/812183544.db2.gz NBNQADBZFYJMGF-PJXYFTJBSA-N 2 1 255.362 -0.633 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCO)CCCCC2)C1 ZINC001115462093 812196575 /nfs/dbraw/zinc/19/65/75/812196575.db2.gz RBZUUXUYKLKCNJ-CYBMUJFWSA-N 2 1 299.415 -0.282 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCO)CCCCC2)C1 ZINC001115462093 812196582 /nfs/dbraw/zinc/19/65/82/812196582.db2.gz RBZUUXUYKLKCNJ-CYBMUJFWSA-N 2 1 299.415 -0.282 20 0 CBADMP N[C@@H]1C[C@]2(C(=O)N3CC4CC3(C[NH3+])C4)CC[C@H]1[NH2+]2 ZINC001158185735 815510727 /nfs/dbraw/zinc/51/07/27/815510727.db2.gz BVCNCLDPFYIILH-LOJHMKGZSA-N 2 1 250.346 -0.842 20 0 CBADMP CC1(C)C[NH2+][C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CO1 ZINC001158215216 815514687 /nfs/dbraw/zinc/51/46/87/815514687.db2.gz LAGOQVCMXRFSEC-GARJFASQSA-N 2 1 253.346 -0.284 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001158215871 815514938 /nfs/dbraw/zinc/51/49/38/815514938.db2.gz SCVQFFFBCXKXTQ-SDDRHHMPSA-N 2 1 281.356 -0.556 20 0 CBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)N2C[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC001158305960 815519283 /nfs/dbraw/zinc/51/92/83/815519283.db2.gz MZCDTXSVIWMUCF-XQQFMLRXSA-N 2 1 280.416 -0.121 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001158319593 815519654 /nfs/dbraw/zinc/51/96/54/815519654.db2.gz JJLXXFALQBBDJQ-STQMWFEESA-N 2 1 288.351 -0.298 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001158336817 815520139 /nfs/dbraw/zinc/52/01/39/815520139.db2.gz AXQSBUXTQFSAJP-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001158381167 815523159 /nfs/dbraw/zinc/52/31/59/815523159.db2.gz ZDHBGNVXUMDMSN-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CC2)CC[N@H+]1C ZINC001158420471 815527414 /nfs/dbraw/zinc/52/74/14/815527414.db2.gz FNOFBBUQMSQCHC-DGCLKSJQSA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001118037189 812463814 /nfs/dbraw/zinc/46/38/14/812463814.db2.gz ATLIBSSKVNOIJR-DMDPSCGWSA-N 2 1 296.415 -0.301 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158422732 815527834 /nfs/dbraw/zinc/52/78/34/815527834.db2.gz LFTRZHKZSLASLX-IVZWLZJFSA-N 2 1 255.318 -0.770 20 0 CBADMP c1cc(N2CC[N@@H+]3CC[C@@H]3C2)nnc1N1CC[NH2+]CC1 ZINC001158422659 815528435 /nfs/dbraw/zinc/52/84/35/815528435.db2.gz DFXZFQJQAYZJBR-GFCCVEGCSA-N 2 1 274.372 -0.220 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)CC[NH3+])CC1 ZINC001118198740 812492461 /nfs/dbraw/zinc/49/24/61/812492461.db2.gz YOFUHKBGDORJIK-UHFFFAOYSA-N 2 1 256.350 -0.996 20 0 CBADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001118198870 812493144 /nfs/dbraw/zinc/49/31/44/812493144.db2.gz XCFKAGPOZMXEKD-LBPRGKRZSA-N 3 1 254.378 -0.521 20 0 CBADMP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N2CCNCC2)C1 ZINC001118198870 812493148 /nfs/dbraw/zinc/49/31/48/812493148.db2.gz XCFKAGPOZMXEKD-LBPRGKRZSA-N 2 1 254.378 -0.521 20 0 CBADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N2CCNCC2)C1 ZINC001118198870 812493155 /nfs/dbraw/zinc/49/31/55/812493155.db2.gz XCFKAGPOZMXEKD-LBPRGKRZSA-N 2 1 254.378 -0.521 20 0 CBADMP COCCN1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC001118222750 812498983 /nfs/dbraw/zinc/49/89/83/812498983.db2.gz GAVBAGHUMLOSSL-UHFFFAOYSA-N 2 1 256.394 -0.844 20 0 CBADMP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC001118222873 812499132 /nfs/dbraw/zinc/49/91/32/812499132.db2.gz JJZSCSINMREURT-NSHDSACASA-N 2 1 265.361 -0.341 20 0 CBADMP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001118222873 812499141 /nfs/dbraw/zinc/49/91/41/812499141.db2.gz JJZSCSINMREURT-NSHDSACASA-N 2 1 265.361 -0.341 20 0 CBADMP C(C[N@H+]1CCOC2(CCOCC2)C1)N1CC[NH2+]CC1 ZINC001118251165 812507992 /nfs/dbraw/zinc/50/79/92/812507992.db2.gz JRFJDZKTWSFOLN-UHFFFAOYSA-N 2 1 269.389 -0.227 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(CC(=O)N2CC[NH2+]CC2)C[C@H]1C ZINC001118264122 812511565 /nfs/dbraw/zinc/51/15/65/812511565.db2.gz TTYRZWPETUNOTR-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[N@H+]1C[C@H](C)N(CC(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC001118264125 812512119 /nfs/dbraw/zinc/51/21/19/812512119.db2.gz TTYRZWPETUNOTR-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CCC[NH3+] ZINC001118270201 812513886 /nfs/dbraw/zinc/51/38/86/812513886.db2.gz XYKYKLHLNNIPHT-JTQLQIEISA-N 2 1 251.334 -0.368 20 0 CBADMP C[NH+]1CCC(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC001118271102 812514443 /nfs/dbraw/zinc/51/44/43/812514443.db2.gz IKTHTFJJXPOBGR-CYBMUJFWSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CCC(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC001118271102 812514448 /nfs/dbraw/zinc/51/44/48/812514448.db2.gz IKTHTFJJXPOBGR-CYBMUJFWSA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001118276664 812517174 /nfs/dbraw/zinc/51/71/74/812517174.db2.gz AVQATIXTIIQYGD-FRRDWIJNSA-N 3 1 268.405 -0.005 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@H](N)CC[NH+](C)C)CC[N@H+]1C ZINC001118337469 812534896 /nfs/dbraw/zinc/53/48/96/812534896.db2.gz NYVLODUUWCJIPH-GRYCIOLGSA-N 2 1 256.394 -0.136 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)N1CCC(O)(C[NH3+])CC1 ZINC001118343235 812535670 /nfs/dbraw/zinc/53/56/70/812535670.db2.gz AYGKKJAVXQPBJP-UHFFFAOYSA-N 2 1 251.277 -0.717 20 0 CBADMP CN(CCC[NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001118482111 812554120 /nfs/dbraw/zinc/55/41/20/812554120.db2.gz IVEHTDCPBIVBDN-LLVKDONJSA-N 2 1 257.382 -0.778 20 0 CBADMP C[NH2+]C[C@@](C)(O)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118505416 812561426 /nfs/dbraw/zinc/56/14/26/812561426.db2.gz FANJEEBKIZOBOL-QWHCGFSZSA-N 2 1 257.378 -0.637 20 0 CBADMP O=C(NCCC[NH2+]CCCO)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158505343 815536758 /nfs/dbraw/zinc/53/67/58/815536758.db2.gz BEOIBDWLONIOHF-STQMWFEESA-N 2 1 285.388 -0.672 20 0 CBADMP O=C(NCCC[NH2+]CCCO)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158505342 815536818 /nfs/dbraw/zinc/53/68/18/815536818.db2.gz BEOIBDWLONIOHF-QWHCGFSZSA-N 2 1 285.388 -0.672 20 0 CBADMP CN1CCC[C@@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)C1=O ZINC001118507149 812563914 /nfs/dbraw/zinc/56/39/14/812563914.db2.gz VVUWZIOWNIPWNR-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567166 815538079 /nfs/dbraw/zinc/53/80/79/815538079.db2.gz FKTJUIFUYOTHIC-MVWJERBFSA-N 2 1 295.362 -0.185 20 0 CBADMP [NH3+]CCCNCC(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158577809 815539653 /nfs/dbraw/zinc/53/96/53/815539653.db2.gz JFYIZWOOHWLUAL-GHMZBOCLSA-N 2 1 272.368 -0.540 20 0 CBADMP COCCN1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001158603599 815540304 /nfs/dbraw/zinc/54/03/04/815540304.db2.gz HHVYRCXGQWRCGU-UHFFFAOYSA-N 2 1 284.404 -0.881 20 0 CBADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001158626120 815541014 /nfs/dbraw/zinc/54/10/14/815541014.db2.gz DXSBWHOPBCQSSQ-SFTQSGBHSA-N 2 1 266.389 -0.511 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001158626120 815541017 /nfs/dbraw/zinc/54/10/17/815541017.db2.gz DXSBWHOPBCQSSQ-SFTQSGBHSA-N 2 1 266.389 -0.511 20 0 CBADMP COC(=O)[C@]12CC[NH2+][C@H]1CN(c1cc[nH+]c(N)n1)CC2 ZINC001158634830 815542155 /nfs/dbraw/zinc/54/21/55/815542155.db2.gz HEUWDQVTGURCMX-ZANVPECISA-N 2 1 277.328 -0.210 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001118871602 812648627 /nfs/dbraw/zinc/64/86/27/812648627.db2.gz MHKDWSNWPTUKCJ-UTUOFQBUSA-N 2 1 282.388 -0.737 20 0 CBADMP C[N@@H+](C1CN(c2cc(C[NH3+])ncn2)C1)[C@H]1CCOC1 ZINC001158730888 815544732 /nfs/dbraw/zinc/54/47/32/815544732.db2.gz BYFDGQQKYHWDTB-NSHDSACASA-N 2 1 263.345 -0.155 20 0 CBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001158784792 815547110 /nfs/dbraw/zinc/54/71/10/815547110.db2.gz TVOGNSCRDJDTMV-OLZOCXBDSA-N 2 1 267.373 -0.129 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001158784792 815547115 /nfs/dbraw/zinc/54/71/15/815547115.db2.gz TVOGNSCRDJDTMV-OLZOCXBDSA-N 2 1 267.373 -0.129 20 0 CBADMP C[NH2+][C@H](C)Cc1noc([C@@H](C)N2CC[NH2+]CC2=O)n1 ZINC001119062934 812703487 /nfs/dbraw/zinc/70/34/87/812703487.db2.gz SEYFRODRMHBCTO-RKDXNWHRSA-N 2 1 267.333 -0.287 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001119294891 812744013 /nfs/dbraw/zinc/74/40/13/812744013.db2.gz MOJAVNDVVMAOCV-WDEREUQCSA-N 2 1 282.388 -0.560 20 0 CBADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H](C)C[NH3+])CC2 ZINC001158890640 815550527 /nfs/dbraw/zinc/55/05/27/815550527.db2.gz JMDFIJIDEZKLFS-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC001119312400 812752367 /nfs/dbraw/zinc/75/23/67/812752367.db2.gz HCGDLEMXAFXAGV-SMDDNHRTSA-N 2 1 267.373 -0.347 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC001119312400 812752374 /nfs/dbraw/zinc/75/23/74/812752374.db2.gz HCGDLEMXAFXAGV-SMDDNHRTSA-N 2 1 267.373 -0.347 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119359399 812764882 /nfs/dbraw/zinc/76/48/82/812764882.db2.gz KRINIKNHUAMXSH-HAQNSBGRSA-N 2 1 284.404 -0.312 20 0 CBADMP CC(C)([NH3+])CCNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001119370933 812770120 /nfs/dbraw/zinc/77/01/20/812770120.db2.gz MFVVCCXNHLBMJB-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC001119410342 812776703 /nfs/dbraw/zinc/77/67/03/812776703.db2.gz XQQBMLPTTBLDMT-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001119413844 812777039 /nfs/dbraw/zinc/77/70/39/812777039.db2.gz XLXMCDATWLEXTQ-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP COCc1[nH]nc2c1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001159091863 815558896 /nfs/dbraw/zinc/55/88/96/815558896.db2.gz VNAKSCMMKAZBTH-VIFPVBQESA-N 2 1 299.400 -0.583 20 0 CBADMP O[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C[C@@]1(O)CCOC1 ZINC001119662040 812861361 /nfs/dbraw/zinc/86/13/61/812861361.db2.gz LSRQPZSNMOLANO-RNJOBUHISA-N 2 1 256.346 -0.960 20 0 CBADMP O[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C[C@@]1(O)CCOC1 ZINC001119662040 812861368 /nfs/dbraw/zinc/86/13/68/812861368.db2.gz LSRQPZSNMOLANO-RNJOBUHISA-N 2 1 256.346 -0.960 20 0 CBADMP O[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C[C@]1(O)CCOC1 ZINC001119662041 812861983 /nfs/dbraw/zinc/86/19/83/812861983.db2.gz LSRQPZSNMOLANO-ZDEQEGDKSA-N 2 1 256.346 -0.960 20 0 CBADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2COC[NH2+]2)C1 ZINC001159134821 815560828 /nfs/dbraw/zinc/56/08/28/815560828.db2.gz PVQLSNCFYRNNMT-RYUDHWBXSA-N 2 1 293.371 -0.651 20 0 CBADMP C[NH2+]CCC[NH+]1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001120362238 812952878 /nfs/dbraw/zinc/95/28/78/812952878.db2.gz IZBNYUPAGGYYEX-UWVGGRQHSA-N 2 1 258.318 -0.510 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)NC[C@H]3CCC[NH2+]3)cc2C[NH2+]1 ZINC001120451433 812968893 /nfs/dbraw/zinc/96/88/93/812968893.db2.gz CNJHCEDCDQOGLW-NXEZZACHSA-N 2 1 263.345 -0.143 20 0 CBADMP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291205 815567047 /nfs/dbraw/zinc/56/70/47/815567047.db2.gz MHDRQSBEVSQLOJ-CYBMUJFWSA-N 3 1 280.416 -0.003 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001120523621 812982496 /nfs/dbraw/zinc/98/24/96/812982496.db2.gz KQHIYVPTQIUHTG-SRVKXCTJSA-N 2 1 294.399 -0.560 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001120528654 812983113 /nfs/dbraw/zinc/98/31/13/812983113.db2.gz SCYMRGIZKNRTHO-GFCCVEGCSA-N 2 1 298.431 -0.194 20 0 CBADMP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291170 815567673 /nfs/dbraw/zinc/56/76/73/815567673.db2.gz LUYKSIQJRLBVPM-STQMWFEESA-N 2 1 278.400 -0.523 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291303 815567816 /nfs/dbraw/zinc/56/78/16/815567816.db2.gz MWKGELBVJIYLBG-GFCCVEGCSA-N 2 1 267.373 -0.360 20 0 CBADMP O=C(NCCCCC[NH+]1CCNCC1)N1CC[NH2+]CC1 ZINC001120564423 812991186 /nfs/dbraw/zinc/99/11/86/812991186.db2.gz HELWCQDFZDGYCJ-UHFFFAOYSA-N 2 1 283.420 -0.323 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001120563174 812991755 /nfs/dbraw/zinc/99/17/55/812991755.db2.gz MZYUBLOVJMMPOM-UONOGXRCSA-N 2 1 296.415 -0.040 20 0 CBADMP [NH3+]CCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001120626767 813002036 /nfs/dbraw/zinc/00/20/36/813002036.db2.gz STXTXQSNVNVKLO-UWVGGRQHSA-N 2 1 258.391 -0.176 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001159334328 815570086 /nfs/dbraw/zinc/57/00/86/815570086.db2.gz CJIDGRTVRMFSAV-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH+](C)CCN1CCN(c2cc[nH+]c(N)n2)CC1=O ZINC001120861944 813026204 /nfs/dbraw/zinc/02/62/04/813026204.db2.gz LURLOAJSWSZOHC-UHFFFAOYSA-N 2 1 264.333 -0.731 20 0 CBADMP O=C(C[NH+]1CCC(CO)CC1)NC[C@@H]1CCCC[NH2+]1 ZINC001121810586 813077971 /nfs/dbraw/zinc/07/79/71/813077971.db2.gz LGXQCTKEKVALTF-ZDUSSCGKSA-N 2 1 269.389 -0.051 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1[NH2+]CC12CCOCC2)C1CC1 ZINC001121828181 813078160 /nfs/dbraw/zinc/07/81/60/813078160.db2.gz CVMUFHZMSWEHOX-LBPRGKRZSA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1[NH2+]CC12CCOCC2)C1CC1 ZINC001121828180 813078209 /nfs/dbraw/zinc/07/82/09/813078209.db2.gz CVMUFHZMSWEHOX-GFCCVEGCSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC[NH2+]1 ZINC001121896535 813085643 /nfs/dbraw/zinc/08/56/43/813085643.db2.gz INEOSWXDIPMXHN-WOPDTQHZSA-N 2 1 252.362 -0.805 20 0 CBADMP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCC[NH+]1CCOCC1 ZINC001121897831 813085992 /nfs/dbraw/zinc/08/59/92/813085992.db2.gz PKCNLLXZNPEXMW-VXGBXAGGSA-N 2 1 273.377 -0.959 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH2+]CCN1C ZINC001121917314 813089436 /nfs/dbraw/zinc/08/94/36/813089436.db2.gz QYDDWUICTVCPRN-CHWSQXEVSA-N 2 1 268.405 -0.119 20 0 CBADMP C[N@@H+](CCNC(=O)CNCC[NH3+])Cc1ccc(F)cc1 ZINC001121925967 813089976 /nfs/dbraw/zinc/08/99/76/813089976.db2.gz HKKOLNNXGVLCSN-UHFFFAOYSA-N 2 1 282.363 -0.078 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC001121998262 813103157 /nfs/dbraw/zinc/10/31/57/813103157.db2.gz UOCNNMWUUXQOTA-SCRDCRAPSA-N 2 1 267.373 -0.177 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001121997826 813103182 /nfs/dbraw/zinc/10/31/82/813103182.db2.gz ZLUIGIOKZSQUTL-ZDUSSCGKSA-N 2 1 266.345 -0.188 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCN1C ZINC001122005760 813104090 /nfs/dbraw/zinc/10/40/90/813104090.db2.gz SUVQBEGJOFDMJD-WXHSDQCUSA-N 2 1 266.389 -0.511 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC2CC1(C[NH3+])C2 ZINC001122067718 813112088 /nfs/dbraw/zinc/11/20/88/813112088.db2.gz APWSWOSQVPMVFQ-KTEZZQQRSA-N 2 1 264.373 -0.676 20 0 CBADMP C[NH+](C)[C@@H](C(=O)NC[C@@H](O)C[NH3+])c1ccccc1 ZINC001122073575 813112755 /nfs/dbraw/zinc/11/27/55/813112755.db2.gz QEJWYMKQCOAXJO-NWDGAFQWSA-N 2 1 251.330 -0.275 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001122076761 813114290 /nfs/dbraw/zinc/11/42/90/813114290.db2.gz FJGRHVYYDVJSGD-WOPDTQHZSA-N 2 1 255.362 -0.444 20 0 CBADMP Cn1cnc(/C=C/C(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC001122157062 813125551 /nfs/dbraw/zinc/12/55/51/813125551.db2.gz GMFNWHDNRPUQAD-NSCUHMNNSA-N 2 1 277.372 -0.027 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001122167037 813127390 /nfs/dbraw/zinc/12/73/90/813127390.db2.gz SOERXKOQGDLNRA-HUBLWGQQSA-N 2 1 294.399 -0.558 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCCC[C@@H]1C[NH3+] ZINC001122191045 813130399 /nfs/dbraw/zinc/13/03/99/813130399.db2.gz IFJCNKVFBHLYFH-XQQFMLRXSA-N 2 1 266.389 -0.286 20 0 CBADMP [NH3+][C@@H](CC(=O)NCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC001122240362 813137591 /nfs/dbraw/zinc/13/75/91/813137591.db2.gz VUZISSCNKPMMKT-LBPRGKRZSA-N 3 1 254.378 -0.347 20 0 CBADMP COCCCOCCC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122238278 813137615 /nfs/dbraw/zinc/13/76/15/813137615.db2.gz CNADKRDUYANGPK-UHFFFAOYSA-N 2 1 287.404 -0.031 20 0 CBADMP C[C@@H](C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)N1CC[NH+](C)CC1 ZINC001122244939 813137785 /nfs/dbraw/zinc/13/77/85/813137785.db2.gz BFLJOXGOXUEWCQ-NWDGAFQWSA-N 2 1 268.405 -0.182 20 0 CBADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCCCC[NH+]1CCNCC1 ZINC001122278500 813140087 /nfs/dbraw/zinc/14/00/87/813140087.db2.gz WOJSFFUCFSNADA-ZIAGYGMSSA-N 2 1 298.431 -0.458 20 0 CBADMP COC[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001122333430 813147971 /nfs/dbraw/zinc/14/79/71/813147971.db2.gz ZAZVMWQYWHBIRK-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC001122362532 813153506 /nfs/dbraw/zinc/15/35/06/813153506.db2.gz CYIYIPXDHDEVDF-GHMZBOCLSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC001122362532 813153511 /nfs/dbraw/zinc/15/35/11/813153511.db2.gz CYIYIPXDHDEVDF-GHMZBOCLSA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@]1(C(=O)Nc2cc3n(n2)CC[NH2+]C3)C[C@@H](O)C[NH2+]1 ZINC001122376083 813155947 /nfs/dbraw/zinc/15/59/47/813155947.db2.gz VYGAJOCAKCYASM-BXKDBHETSA-N 2 1 265.317 -0.962 20 0 CBADMP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCN(C)CC[N@H+](C)CC2)C1 ZINC001122376769 813156081 /nfs/dbraw/zinc/15/60/81/813156081.db2.gz FOBMGZFYAZQYAL-HIFRSBDPSA-N 2 1 298.431 -0.541 20 0 CBADMP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCN(C)CC[N@@H+](C)CC2)C1 ZINC001122376769 813156083 /nfs/dbraw/zinc/15/60/83/813156083.db2.gz FOBMGZFYAZQYAL-HIFRSBDPSA-N 2 1 298.431 -0.541 20 0 CBADMP COc1cc(N[C@H]([NH3+])CCC[NH3+])nc(S(C)(=O)=O)n1 ZINC001159786057 815594477 /nfs/dbraw/zinc/59/44/77/815594477.db2.gz VPWSOTMXJWBWOB-ZETCQYMHSA-N 2 1 289.361 -0.676 20 0 CBADMP C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)[C@H]1C[N@@H+](C)CCN1C ZINC001122447756 813165545 /nfs/dbraw/zinc/16/55/45/813165545.db2.gz HZYPOPWYNFXXEW-CYZMBNFOSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1C[N@@H+](C)CCN1C ZINC001122540550 813174235 /nfs/dbraw/zinc/17/42/35/813174235.db2.gz FKGGQJCSDHYVGN-DYEKYZERSA-N 2 1 268.405 -0.121 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@H]3COCC[NH2+]3)[C@H]2C1 ZINC001122571617 813176590 /nfs/dbraw/zinc/17/65/90/813176590.db2.gz BDEHJCMHBUVZMH-CYDGBPFRSA-N 2 1 267.373 -0.179 20 0 CBADMP N[C@H](CCC[NH3+])Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC001159787091 815596521 /nfs/dbraw/zinc/59/65/21/815596521.db2.gz RCHZEVDFPKIGBA-LBPRGKRZSA-N 2 1 264.377 -0.073 20 0 CBADMP N[C@H](CCC[NH3+])Nc1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001159786523 815596929 /nfs/dbraw/zinc/59/69/29/815596929.db2.gz CPYZKXAEWPYZPL-LBPRGKRZSA-N 2 1 292.387 -0.437 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001159838719 815600559 /nfs/dbraw/zinc/60/05/59/815600559.db2.gz OLYDIFIGDWHDGC-QWHCGFSZSA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001123658654 813257630 /nfs/dbraw/zinc/25/76/30/813257630.db2.gz RPBYQGYOTHHJLD-FRRDWIJNSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC(C[NH+](C)C)C1 ZINC001123893187 813288533 /nfs/dbraw/zinc/28/85/33/813288533.db2.gz JUSDLPGXWGRLJP-AAEUAGOBSA-N 2 1 266.389 -0.605 20 0 CBADMP CC[C@@H](C(=O)N1CCN(C2C[NH+](C)C2)CC1)[NH+](C)C ZINC001124021555 813390402 /nfs/dbraw/zinc/39/04/02/813390402.db2.gz VHKLCRIXWCWQKF-ZDUSSCGKSA-N 2 1 268.405 -0.215 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)cc1=O ZINC001124836261 813486262 /nfs/dbraw/zinc/48/62/62/813486262.db2.gz DUWFICGWSGQIPP-ZDUSSCGKSA-N 2 1 292.383 -0.315 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001124835486 813486683 /nfs/dbraw/zinc/48/66/83/813486683.db2.gz AETYNKAHKLQNQD-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001124867093 813488970 /nfs/dbraw/zinc/48/89/70/813488970.db2.gz RUGUWZLTCQPBSR-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001124866355 813489530 /nfs/dbraw/zinc/48/95/30/813489530.db2.gz AUTGFAHBZNKTQE-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001124867094 813490120 /nfs/dbraw/zinc/49/01/20/813490120.db2.gz RUGUWZLTCQPBSR-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001124866770 813490205 /nfs/dbraw/zinc/49/02/05/813490205.db2.gz KNGWCORGEPCMNN-GHMZBOCLSA-N 2 1 268.361 -0.983 20 0 CBADMP CCCC[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001124867406 813491262 /nfs/dbraw/zinc/49/12/62/813491262.db2.gz VNEKPCAUIWAKHI-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001124867679 813491481 /nfs/dbraw/zinc/49/14/81/813491481.db2.gz XWEZQOXXTGTCHA-CHWSQXEVSA-N 2 1 295.387 -0.956 20 0 CBADMP COc1nccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001124873016 813491668 /nfs/dbraw/zinc/49/16/68/813491668.db2.gz RJKPBKCDTWESJD-GFCCVEGCSA-N 2 1 293.371 -0.215 20 0 CBADMP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124872795 813491851 /nfs/dbraw/zinc/49/18/51/813491851.db2.gz MZDGGOUUNIEAJD-LBPRGKRZSA-N 2 1 294.403 -0.094 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124873304 813493470 /nfs/dbraw/zinc/49/34/70/813493470.db2.gz WEVQTAPVOGMHKL-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001124878817 813494485 /nfs/dbraw/zinc/49/44/85/813494485.db2.gz OWJVSUCACOJRKF-VHSXEESVSA-N 2 1 256.350 -0.950 20 0 CBADMP CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001124878402 813495297 /nfs/dbraw/zinc/49/52/97/813495297.db2.gz LQWRHIVEWMCQAQ-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CCCCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125207857 813530963 /nfs/dbraw/zinc/53/09/63/813530963.db2.gz ADQWNTSHOMIDFL-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP CCCCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125207857 813530967 /nfs/dbraw/zinc/53/09/67/813530967.db2.gz ADQWNTSHOMIDFL-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC2CCC2)C1 ZINC001125219783 813532844 /nfs/dbraw/zinc/53/28/44/813532844.db2.gz BOVHKAAOIZSWBG-GFCCVEGCSA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC2CCC2)C1 ZINC001125219783 813532846 /nfs/dbraw/zinc/53/28/46/813532846.db2.gz BOVHKAAOIZSWBG-GFCCVEGCSA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@H]2CCCO2)C1 ZINC001125222244 813535246 /nfs/dbraw/zinc/53/52/46/813535246.db2.gz UMRGDECKXUHCQH-CHWSQXEVSA-N 2 1 285.388 -0.408 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@H]2CCCO2)C1 ZINC001125222244 813535251 /nfs/dbraw/zinc/53/52/51/813535251.db2.gz UMRGDECKXUHCQH-CHWSQXEVSA-N 2 1 285.388 -0.408 20 0 CBADMP CC[C@H](F)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220894 813535916 /nfs/dbraw/zinc/53/59/16/813535916.db2.gz MDAAQEWQZXBYLE-QWRGUYRKSA-N 2 1 261.341 -0.229 20 0 CBADMP CC[C@H](F)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220894 813535922 /nfs/dbraw/zinc/53/59/22/813535922.db2.gz MDAAQEWQZXBYLE-QWRGUYRKSA-N 2 1 261.341 -0.229 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C/C=C/Cl)C1 ZINC001125226415 813538077 /nfs/dbraw/zinc/53/80/77/813538077.db2.gz BCFVHCJLPAHQMA-VMZHVLLKSA-N 2 1 261.753 -0.225 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C/C=C/Cl)C1 ZINC001125226415 813538084 /nfs/dbraw/zinc/53/80/84/813538084.db2.gz BCFVHCJLPAHQMA-VMZHVLLKSA-N 2 1 261.753 -0.225 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCOC2)C1 ZINC001125226630 813538992 /nfs/dbraw/zinc/53/89/92/813538992.db2.gz FIVZLHLEIDDAOQ-VXGBXAGGSA-N 2 1 271.361 -0.941 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCOC2)C1 ZINC001125226630 813538995 /nfs/dbraw/zinc/53/89/95/813538995.db2.gz FIVZLHLEIDDAOQ-VXGBXAGGSA-N 2 1 271.361 -0.941 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066246 813709236 /nfs/dbraw/zinc/70/92/36/813709236.db2.gz KFFDZFSMPSRZFT-GFCCVEGCSA-N 2 1 284.404 -0.299 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001127065692 813710536 /nfs/dbraw/zinc/71/05/36/813710536.db2.gz CYFYNZKEYOEJEU-NSHDSACASA-N 2 1 295.391 -0.711 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001127065692 813710539 /nfs/dbraw/zinc/71/05/39/813710539.db2.gz CYFYNZKEYOEJEU-NSHDSACASA-N 2 1 295.391 -0.711 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001127066064 813710577 /nfs/dbraw/zinc/71/05/77/813710577.db2.gz IRTPCDPPISIXNZ-LBPRGKRZSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001127066064 813710580 /nfs/dbraw/zinc/71/05/80/813710580.db2.gz IRTPCDPPISIXNZ-LBPRGKRZSA-N 2 1 294.403 -0.106 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256007 813721377 /nfs/dbraw/zinc/72/13/77/813721377.db2.gz LVIOJKBCDOUZHS-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP O=C(NCC[NH2+]CCOCCO)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256765 813722479 /nfs/dbraw/zinc/72/24/79/813722479.db2.gz RQAGTIAANCGMEU-KBPBESRZSA-N 2 1 299.415 -0.425 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@@H](C)O)CC[N@H+]1C ZINC001127701887 813741603 /nfs/dbraw/zinc/74/16/03/813741603.db2.gz ZQBAMWQLVKQDNZ-GRYCIOLGSA-N 2 1 257.378 -0.197 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)CC[N@H+]1C ZINC001127695058 813741824 /nfs/dbraw/zinc/74/18/24/813741824.db2.gz ANPJVBJLUGFOJO-SDDRHHMPSA-N 2 1 282.388 -0.689 20 0 CBADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]CC(N)=O ZINC001127685065 813741928 /nfs/dbraw/zinc/74/19/28/813741928.db2.gz AVIMKLUYTKHDIH-JTQLQIEISA-N 2 1 281.360 -0.412 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2ccnn2C)CC[N@H+]1C ZINC001127685535 813742273 /nfs/dbraw/zinc/74/22/73/813742273.db2.gz RPNVWMBLRDSMSH-DGCLKSJQSA-N 2 1 279.388 -0.034 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)CC)CC[N@H+]1C ZINC001127691050 813742462 /nfs/dbraw/zinc/74/24/62/813742462.db2.gz ZFPZCMQLMWWRKW-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP O=C(NCC[NH2+]CC1CC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127778832 813747730 /nfs/dbraw/zinc/74/77/30/813747730.db2.gz GTCFMTFIMOLDTN-CHWSQXEVSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(NCC[NH2+]CCCF)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779923 813748171 /nfs/dbraw/zinc/74/81/71/813748171.db2.gz SXQWHARXLPWCRX-NEPJUHHUSA-N 2 1 273.352 -0.085 20 0 CBADMP CCOCCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127784765 813748354 /nfs/dbraw/zinc/74/83/54/813748354.db2.gz BDOCGKPHKPDWOC-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP O=C(NCC[NH2+]Cc1ccon1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779247 813749380 /nfs/dbraw/zinc/74/93/80/813749380.db2.gz KBCRVQXEQAYYMN-CHWSQXEVSA-N 2 1 294.355 -0.256 20 0 CBADMP O=C(NCC[NH2+]Cc1ccon1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779247 813749386 /nfs/dbraw/zinc/74/93/86/813749386.db2.gz KBCRVQXEQAYYMN-CHWSQXEVSA-N 2 1 294.355 -0.256 20 0 CBADMP O=C(NCC[NH2+]CCF)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779566 813749498 /nfs/dbraw/zinc/74/94/98/813749498.db2.gz OEWKQWQIMHKBSL-WDEREUQCSA-N 2 1 259.325 -0.475 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001128778733 813796816 /nfs/dbraw/zinc/79/68/16/813796816.db2.gz LEJYNUOOCHKRDO-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001128783478 813799935 /nfs/dbraw/zinc/79/99/35/813799935.db2.gz HRDISQHGZFQRJI-ZDUSSCGKSA-N 2 1 294.403 -0.142 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COC ZINC001128778741 813800146 /nfs/dbraw/zinc/80/01/46/813800146.db2.gz LFRUWOYJTMBWHG-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001129328231 813836717 /nfs/dbraw/zinc/83/67/17/813836717.db2.gz NKMZSZAVRIFZBF-NWDGAFQWSA-N 2 1 284.404 -0.456 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328403 813836880 /nfs/dbraw/zinc/83/68/80/813836880.db2.gz PIFOSJAMUOFQHN-LBPRGKRZSA-N 2 1 284.404 -0.584 20 0 CBADMP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364620 813839335 /nfs/dbraw/zinc/83/93/35/813839335.db2.gz YOALWYKYQMTHEQ-GXTWGEPZSA-N 2 1 299.415 -0.284 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129416687 813839353 /nfs/dbraw/zinc/83/93/53/813839353.db2.gz IMCWBFAKFDJGJN-LLVKDONJSA-N 2 1 293.371 -0.398 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129386557 813839658 /nfs/dbraw/zinc/83/96/58/813839658.db2.gz NHSCKTHHMLRSML-ZDUSSCGKSA-N 2 1 297.403 -0.444 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129416142 813840649 /nfs/dbraw/zinc/84/06/49/813840649.db2.gz DUVBMRMZYXICQN-NWDGAFQWSA-N 2 1 296.371 -0.526 20 0 CBADMP CC[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129384907 813840806 /nfs/dbraw/zinc/84/08/06/813840806.db2.gz AUCYIAMPYWVCGB-LLVKDONJSA-N 2 1 253.350 -0.461 20 0 CBADMP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129423291 813841598 /nfs/dbraw/zinc/84/15/98/813841598.db2.gz RRIRLKQNMPPKAF-GHMZBOCLSA-N 2 1 266.345 -0.153 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435572 813841770 /nfs/dbraw/zinc/84/17/70/813841770.db2.gz HNBFBKAFKMIMEK-LBPRGKRZSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21)C(N)=O ZINC001129417843 813842308 /nfs/dbraw/zinc/84/23/08/813842308.db2.gz QJPQJXUPKIBFTN-UWVGGRQHSA-N 2 1 279.344 -0.660 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(N)=O ZINC001129418855 813842344 /nfs/dbraw/zinc/84/23/44/813842344.db2.gz XLEKFRNPOUZAIO-DGCLKSJQSA-N 2 1 296.415 -0.027 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001129435121 813842567 /nfs/dbraw/zinc/84/25/67/813842567.db2.gz BIDWLBAGXPFICV-ZDUSSCGKSA-N 2 1 279.388 -0.034 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001129422725 813843399 /nfs/dbraw/zinc/84/33/99/813843399.db2.gz LHNSRPVMRUNBDN-NEPJUHHUSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)c1nnnn1C ZINC001129444787 813844971 /nfs/dbraw/zinc/84/49/71/813844971.db2.gz XXAYHVDJBGGGNK-KOLCDFICSA-N 2 1 295.391 -0.683 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)c1nncn1C ZINC001129444372 813845198 /nfs/dbraw/zinc/84/51/98/813845198.db2.gz SICGMKNAYFTETR-ZYHUDNBSSA-N 2 1 294.403 -0.078 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001129535401 813849316 /nfs/dbraw/zinc/84/93/16/813849316.db2.gz PWLJXPODUIHGGN-LLVKDONJSA-N 2 1 270.377 -0.560 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129532065 813849428 /nfs/dbraw/zinc/84/94/28/813849428.db2.gz PPCVHJYRYIRNIQ-UHFFFAOYSA-N 2 1 294.403 -0.012 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129532103 813849886 /nfs/dbraw/zinc/84/98/86/813849886.db2.gz RFNOZPFIVCPBBE-SNVBAGLBSA-N 2 1 270.377 -0.689 20 0 CBADMP CN1CCC[C@H]([NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001129532357 813850226 /nfs/dbraw/zinc/85/02/26/813850226.db2.gz YZSKYYARGRGPKM-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129532102 813850848 /nfs/dbraw/zinc/85/08/48/813850848.db2.gz RFNOZPFIVCPBBE-JTQLQIEISA-N 2 1 270.377 -0.689 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001129842033 813870017 /nfs/dbraw/zinc/87/00/17/813870017.db2.gz RZAZYBZEOXHFHO-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001129842034 813871194 /nfs/dbraw/zinc/87/11/94/813871194.db2.gz RZAZYBZEOXHFHO-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129841020 813871662 /nfs/dbraw/zinc/87/16/62/813871662.db2.gz LLTHKXAPHFHRHB-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCn2cccn2)O1 ZINC001130182624 813913048 /nfs/dbraw/zinc/91/30/48/813913048.db2.gz PVUASQXWHZLZGT-CHWSQXEVSA-N 2 1 295.387 -0.692 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCn2cccn2)O1 ZINC001130182624 813913054 /nfs/dbraw/zinc/91/30/54/813913054.db2.gz PVUASQXWHZLZGT-CHWSQXEVSA-N 2 1 295.387 -0.692 20 0 CBADMP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182421 813913838 /nfs/dbraw/zinc/91/38/38/813913838.db2.gz GYKCDAAYTZKAIK-QJPTWQEYSA-N 2 1 273.377 -0.554 20 0 CBADMP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182421 813913850 /nfs/dbraw/zinc/91/38/50/813913850.db2.gz GYKCDAAYTZKAIK-QJPTWQEYSA-N 2 1 273.377 -0.554 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H]2CCCOC2)O1 ZINC001130180522 813914818 /nfs/dbraw/zinc/91/48/18/813914818.db2.gz REDVQOLMXNRLHK-MGPQQGTHSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H]2CCCOC2)O1 ZINC001130180522 813914823 /nfs/dbraw/zinc/91/48/23/813914823.db2.gz REDVQOLMXNRLHK-MGPQQGTHSA-N 2 1 299.415 -0.162 20 0 CBADMP O=C(NCC[NH2+]CCOCCO)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130189103 813916554 /nfs/dbraw/zinc/91/65/54/813916554.db2.gz NFLHAQZOQIMVGX-KGLIPLIRSA-N 2 1 299.415 -0.282 20 0 CBADMP Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130296724 813921699 /nfs/dbraw/zinc/92/16/99/813921699.db2.gz BNIRVNZYSNWKSA-LBPRGKRZSA-N 2 1 280.376 -0.495 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130296659 813921849 /nfs/dbraw/zinc/92/18/49/813921849.db2.gz AFSDNQZWSHMQDP-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CN1CCC[C@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC001130300875 813924944 /nfs/dbraw/zinc/92/49/44/813924944.db2.gz WUPZLSXFSBDBJV-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001130304022 813925214 /nfs/dbraw/zinc/92/52/14/813925214.db2.gz QLWZOJSXTNWFQR-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)NC1CC1 ZINC001130306059 813927757 /nfs/dbraw/zinc/92/77/57/813927757.db2.gz QIHYFHRLLCCUFN-DGCLKSJQSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC)C(N)=O ZINC001130427596 813938111 /nfs/dbraw/zinc/93/81/11/813938111.db2.gz NVWWZSNYKPBROI-SNVBAGLBSA-N 2 1 272.393 -0.314 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001130421814 813938785 /nfs/dbraw/zinc/93/87/85/813938785.db2.gz KBZDBKQVXZGKNE-SNVBAGLBSA-N 2 1 270.377 -0.689 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001130421767 813939057 /nfs/dbraw/zinc/93/90/57/813939057.db2.gz IVZWUWYXFZGSTF-VIFPVBQESA-N 2 1 258.366 -0.704 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001131377430 814026148 /nfs/dbraw/zinc/02/61/48/814026148.db2.gz QVDGDNRKNRJXKC-UHFFFAOYSA-N 2 1 295.387 -0.188 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001131387734 814026633 /nfs/dbraw/zinc/02/66/33/814026633.db2.gz ZBPDBCNOVOTQLL-GFCCVEGCSA-N 2 1 266.345 -0.066 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001131380188 814028169 /nfs/dbraw/zinc/02/81/69/814028169.db2.gz FXRTVNFXIDBRGX-UHFFFAOYSA-N 2 1 293.371 -0.482 20 0 CBADMP COC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131522136 814036961 /nfs/dbraw/zinc/03/69/61/814036961.db2.gz UFYDBWWEADTXPN-SDFYHXNISA-N 2 1 297.399 -0.410 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525784 814037404 /nfs/dbraw/zinc/03/74/04/814037404.db2.gz KCXSKIZFGHEACB-OWYJLGKBSA-N 2 1 297.399 -0.408 20 0 CBADMP CO[C@H](C)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520232 814038319 /nfs/dbraw/zinc/03/83/19/814038319.db2.gz VOGAGUHAPIEIMD-KLNSDEMFSA-N 2 1 297.399 -0.410 20 0 CBADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1CCO ZINC001132279407 814120489 /nfs/dbraw/zinc/12/04/89/814120489.db2.gz WSQBZLGGYDHRGA-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132273365 814120589 /nfs/dbraw/zinc/12/05/89/814120589.db2.gz FMVAJGNFOXTZII-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132273365 814120595 /nfs/dbraw/zinc/12/05/95/814120595.db2.gz FMVAJGNFOXTZII-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132280275 814120645 /nfs/dbraw/zinc/12/06/45/814120645.db2.gz FVTAYRVOYMJAFQ-UHFFFAOYSA-N 2 1 294.403 -0.105 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001132283661 814120754 /nfs/dbraw/zinc/12/07/54/814120754.db2.gz BQRXJEUKODOBQB-UHFFFAOYSA-N 2 1 294.403 -0.105 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132848831 814193441 /nfs/dbraw/zinc/19/34/41/814193441.db2.gz TVBNYVDBRSDTJG-CYBMUJFWSA-N 2 1 287.404 -0.162 20 0 CBADMP COC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132852120 814194027 /nfs/dbraw/zinc/19/40/27/814194027.db2.gz HZVONGIUVUXJTR-QWHCGFSZSA-N 2 1 287.404 -0.164 20 0 CBADMP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886684 814196974 /nfs/dbraw/zinc/19/69/74/814196974.db2.gz REYZWUPCUQDBIU-TUAOUCFPSA-N 2 1 257.378 -0.197 20 0 CBADMP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886682 814197308 /nfs/dbraw/zinc/19/73/08/814197308.db2.gz REYZWUPCUQDBIU-SRVKXCTJSA-N 2 1 257.378 -0.197 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)nn1 ZINC001132992564 814204364 /nfs/dbraw/zinc/20/43/64/814204364.db2.gz CAVOHYRHHTWTMH-UHFFFAOYSA-N 2 1 280.376 -0.637 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[NH2+]C[C@@H](C)O)CC2 ZINC001133004492 814208993 /nfs/dbraw/zinc/20/89/93/814208993.db2.gz BEZNBXIBSPCPRN-PWSUYJOCSA-N 2 1 280.372 -0.159 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1nnnn1C ZINC001133819422 814299652 /nfs/dbraw/zinc/29/96/52/814299652.db2.gz BNQDGILIIYYCIA-WDEREUQCSA-N 2 1 295.391 -0.539 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)c1nnnn1C ZINC001133819422 814299662 /nfs/dbraw/zinc/29/96/62/814299662.db2.gz BNQDGILIIYYCIA-WDEREUQCSA-N 2 1 295.391 -0.539 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001133819524 814300085 /nfs/dbraw/zinc/30/00/85/814300085.db2.gz FHYRYXUXEOUJDG-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)C(=O)N(C)C ZINC001133824092 814301441 /nfs/dbraw/zinc/30/14/41/814301441.db2.gz XMSHUMGTPLAAGO-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133833904 814301466 /nfs/dbraw/zinc/30/14/66/814301466.db2.gz JGGMHRZCUBLNQP-GFCCVEGCSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)C(=O)N(C)C ZINC001133824090 814302992 /nfs/dbraw/zinc/30/29/92/814302992.db2.gz XMSHUMGTPLAAGO-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001133905478 814321537 /nfs/dbraw/zinc/32/15/37/814321537.db2.gz BJLGJYZBZAOKGP-SNVBAGLBSA-N 2 1 272.393 -0.456 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cn(C)nn2)C1 ZINC001133846285 814306285 /nfs/dbraw/zinc/30/62/85/814306285.db2.gz XXBFGIDBMMJPMY-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cn(C)nn2)C1 ZINC001133846285 814306293 /nfs/dbraw/zinc/30/62/93/814306293.db2.gz XXBFGIDBMMJPMY-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001133845513 814306387 /nfs/dbraw/zinc/30/63/87/814306387.db2.gz HPYNFSAJQJATOG-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NC1CC1 ZINC001133849639 814306453 /nfs/dbraw/zinc/30/64/53/814306453.db2.gz BDEMDBSMUUICQZ-RYUDHWBXSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845575 814306715 /nfs/dbraw/zinc/30/67/15/814306715.db2.gz IWSYTKNKRRBIPI-MNOVXSKESA-N 2 1 270.377 -0.832 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845956 814307040 /nfs/dbraw/zinc/30/70/40/814307040.db2.gz QMFKTSRWTIYAFE-RYUDHWBXSA-N 2 1 273.377 -0.959 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001133846037 814307688 /nfs/dbraw/zinc/30/76/88/814307688.db2.gz SEMVUIUGNBIVAK-NSHDSACASA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001133850374 814308063 /nfs/dbraw/zinc/30/80/63/814308063.db2.gz LOSWSKMPENXIKV-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001133849731 814308435 /nfs/dbraw/zinc/30/84/35/814308435.db2.gz COWYZOGESBBCIU-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133846154 814308749 /nfs/dbraw/zinc/30/87/49/814308749.db2.gz VBYAPRJMSRRICS-LLVKDONJSA-N 2 1 270.377 -0.830 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863840 814310017 /nfs/dbraw/zinc/31/00/17/814310017.db2.gz PZJGWEGRBQMANO-NWDGAFQWSA-N 2 1 257.378 -0.074 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001133863493 814312078 /nfs/dbraw/zinc/31/20/78/814312078.db2.gz MRVHSAVTDBIKSM-CMPLNLGQSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001133863493 814312088 /nfs/dbraw/zinc/31/20/88/814312088.db2.gz MRVHSAVTDBIKSM-CMPLNLGQSA-N 2 1 280.376 -0.781 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133869578 814314520 /nfs/dbraw/zinc/31/45/20/814314520.db2.gz HCXPXUZABBYLJB-RYUDHWBXSA-N 2 1 294.403 -0.299 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869578 814314528 /nfs/dbraw/zinc/31/45/28/814314528.db2.gz HCXPXUZABBYLJB-RYUDHWBXSA-N 2 1 294.403 -0.299 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133867275 814314714 /nfs/dbraw/zinc/31/47/14/814314714.db2.gz TUYMDENOYXLFAR-NWDGAFQWSA-N 2 1 257.378 -0.074 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)[nH]1 ZINC001133864070 814315706 /nfs/dbraw/zinc/31/57/06/814315706.db2.gz USPGYDZFEDRGNX-GXSJLCMTSA-N 2 1 280.376 -0.483 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)[nH]1 ZINC001133864070 814315713 /nfs/dbraw/zinc/31/57/13/814315713.db2.gz USPGYDZFEDRGNX-GXSJLCMTSA-N 2 1 280.376 -0.483 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001133869275 814316026 /nfs/dbraw/zinc/31/60/26/814316026.db2.gz CHUOIIVBGGMZSS-WCQYABFASA-N 2 1 294.403 -0.299 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001133869275 814316037 /nfs/dbraw/zinc/31/60/37/814316037.db2.gz CHUOIIVBGGMZSS-WCQYABFASA-N 2 1 294.403 -0.299 20 0 CBADMP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133870429 814317513 /nfs/dbraw/zinc/31/75/13/814317513.db2.gz SZBSYMFYEQRGKZ-STQMWFEESA-N 2 1 298.431 -0.194 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133870146 814318861 /nfs/dbraw/zinc/31/88/61/814318861.db2.gz QPZPZCMCTCWMRG-RYUDHWBXSA-N 2 1 284.404 -0.586 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001133870436 814319036 /nfs/dbraw/zinc/31/90/36/814319036.db2.gz UAEMDSDSHKPZQQ-PWSUYJOCSA-N 2 1 280.376 -0.781 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133894041 814319562 /nfs/dbraw/zinc/31/95/62/814319562.db2.gz UHVWUQPZHBUELA-UHFFFAOYSA-N 2 1 284.404 -0.440 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1)C(N)=O ZINC001133896649 814319868 /nfs/dbraw/zinc/31/98/68/814319868.db2.gz MSZSTNCMESZTDN-NSHDSACASA-N 2 1 284.404 -0.312 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896292 814320366 /nfs/dbraw/zinc/32/03/66/814320366.db2.gz HDVFWFMYHKUZRQ-GFCCVEGCSA-N 2 1 287.404 -0.569 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]CCCO)C1 ZINC001133896291 814321033 /nfs/dbraw/zinc/32/10/33/814321033.db2.gz HAMORJNGZOJMTK-UHFFFAOYSA-N 2 1 257.378 -0.194 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133899824 814321169 /nfs/dbraw/zinc/32/11/69/814321169.db2.gz ZILZTIYJHWTIAL-UHFFFAOYSA-N 2 1 286.420 -0.242 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001133908051 814322717 /nfs/dbraw/zinc/32/27/17/814322717.db2.gz FRINXHMAAMUDOS-LLVKDONJSA-N 2 1 286.420 -0.066 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+]CCOCCO ZINC001134570054 814397908 /nfs/dbraw/zinc/39/79/08/814397908.db2.gz HNBGENGZBPQNCX-UHFFFAOYSA-N 2 1 298.387 -0.279 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001134762557 814410564 /nfs/dbraw/zinc/41/05/64/814410564.db2.gz BUXKPYIBODBRGN-NEPJUHHUSA-N 2 1 284.404 -0.171 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134759534 814411839 /nfs/dbraw/zinc/41/18/39/814411839.db2.gz SARPXLFWESWGAM-GFCCVEGCSA-N 2 1 284.404 -0.299 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135028152 814431310 /nfs/dbraw/zinc/43/13/10/814431310.db2.gz CGRNJUKDTUHEAN-WDEREUQCSA-N 2 1 295.387 -0.190 20 0 CBADMP C[N@@H+](CC(=O)N1CCC[NH+](C)CC1)[C@@H]1CCC[C@H]1O ZINC001135305875 814459954 /nfs/dbraw/zinc/45/99/54/814459954.db2.gz AHRHDTVKHDXFAZ-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CC(=O)N1CCC[N@H+](C)CC1)[C@@H]1CCC[C@H]1O ZINC001135305875 814459958 /nfs/dbraw/zinc/45/99/58/814459958.db2.gz AHRHDTVKHDXFAZ-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CC(=O)N1CCC[N@@H+](C)CC1)[C@@H]1CCC[C@H]1O ZINC001135305875 814459965 /nfs/dbraw/zinc/45/99/65/814459965.db2.gz AHRHDTVKHDXFAZ-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135305338 814460943 /nfs/dbraw/zinc/46/09/43/814460943.db2.gz RLUPGTFVWPQESL-LLVKDONJSA-N 2 1 295.387 -0.188 20 0 CBADMP COC[C@H](C)[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135341380 814465523 /nfs/dbraw/zinc/46/55/23/814465523.db2.gz UIHUOQXLJUDIJU-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP CCOCC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135341396 814465622 /nfs/dbraw/zinc/46/56/22/814465622.db2.gz UXEFTJBURLIOLH-UHFFFAOYSA-N 2 1 273.377 -0.549 20 0 CBADMP Cn1nnnc1C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159993341 815605707 /nfs/dbraw/zinc/60/57/07/815605707.db2.gz YVIFQIFWVPUEKY-UHFFFAOYSA-N 2 1 295.391 -0.710 20 0 CBADMP C[N@@H+](CC(=O)NCCC[NH2+]CC(=O)N1CCC1)C1CCC1 ZINC001159992052 815606179 /nfs/dbraw/zinc/60/61/79/815606179.db2.gz GMVGPSZGNNJJDJ-UHFFFAOYSA-N 2 1 296.415 -0.201 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]C[C@H]1CCCCO1 ZINC001135352908 814468923 /nfs/dbraw/zinc/46/89/23/814468923.db2.gz ZCXFWCVLLOFCCU-CQSZACIVSA-N 2 1 299.415 -0.016 20 0 CBADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1COCC[NH2+]1 ZINC001159930036 815606298 /nfs/dbraw/zinc/60/62/98/815606298.db2.gz PJCGKKBSWDZEKE-MELADBBJSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)CC[NH+](C)C ZINC001135373583 814469952 /nfs/dbraw/zinc/46/99/52/814469952.db2.gz XDIHPYVOACMEBS-QWRGUYRKSA-N 2 1 297.407 -0.465 20 0 CBADMP CC[C@H]([NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001160003479 815607346 /nfs/dbraw/zinc/60/73/46/815607346.db2.gz QAJHACGRJDLCSD-LBPRGKRZSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001135510772 814479809 /nfs/dbraw/zinc/47/98/09/814479809.db2.gz FJAGBARKRHZJLE-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP O=C([C@H]1[NH2+]CC[C@H]1O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155073 815610869 /nfs/dbraw/zinc/61/08/69/815610869.db2.gz DMSBXFZLQJASQQ-RQJABVFESA-N 2 1 295.383 -0.969 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CC(N)=O ZINC001160274505 815614041 /nfs/dbraw/zinc/61/40/41/815614041.db2.gz USMCPWOUDFSJKF-LLVKDONJSA-N 2 1 270.377 -0.558 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001135861224 814532228 /nfs/dbraw/zinc/53/22/28/814532228.db2.gz OBLZZGXGQIITKE-RYUDHWBXSA-N 2 1 286.420 -0.053 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135892262 814534371 /nfs/dbraw/zinc/53/43/71/814534371.db2.gz CCOWSHLNPNIEOP-UHFFFAOYSA-N 2 1 288.311 -0.928 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001135975734 814542946 /nfs/dbraw/zinc/54/29/46/814542946.db2.gz BNZQDOZMPZJZEG-NEPJUHHUSA-N 2 1 286.420 -0.053 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)C1 ZINC001141196281 814649069 /nfs/dbraw/zinc/64/90/69/814649069.db2.gz AENNBQJTCPXGEC-FRRDWIJNSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)C1 ZINC001141196281 814649072 /nfs/dbraw/zinc/64/90/72/814649072.db2.gz AENNBQJTCPXGEC-FRRDWIJNSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)C1 ZINC001141196281 814649076 /nfs/dbraw/zinc/64/90/76/814649076.db2.gz AENNBQJTCPXGEC-FRRDWIJNSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)C1 ZINC001141196281 814649080 /nfs/dbraw/zinc/64/90/80/814649080.db2.gz AENNBQJTCPXGEC-FRRDWIJNSA-N 2 1 267.373 -0.130 20 0 CBADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001142634932 814726841 /nfs/dbraw/zinc/72/68/41/814726841.db2.gz CSUSAZLTMYEBPC-NSHDSACASA-N 3 1 267.377 -0.068 20 0 CBADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001142634931 814727719 /nfs/dbraw/zinc/72/77/19/814727719.db2.gz CSUSAZLTMYEBPC-LLVKDONJSA-N 3 1 267.377 -0.068 20 0 CBADMP CN1CC[NH+](CCC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC001143231980 814765218 /nfs/dbraw/zinc/76/52/18/814765218.db2.gz YBPXFDINPFEJLE-OKILXGFUSA-N 2 1 280.416 -0.356 20 0 CBADMP C[N@H+]1C[C@H]2CN(C(=O)CCN3CC[NH+](C)CC3)C[C@H]2C1 ZINC001143231980 814765219 /nfs/dbraw/zinc/76/52/19/814765219.db2.gz YBPXFDINPFEJLE-OKILXGFUSA-N 2 1 280.416 -0.356 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)CCN3CC[NH+](C)CC3)C[C@H]2C1 ZINC001143231980 814765220 /nfs/dbraw/zinc/76/52/20/814765220.db2.gz YBPXFDINPFEJLE-OKILXGFUSA-N 2 1 280.416 -0.356 20 0 CBADMP CN(CC(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2)C(N)=[NH2+] ZINC001144132051 814773311 /nfs/dbraw/zinc/77/33/11/814773311.db2.gz CFNCUMIHDSKOQS-TXEJJXNPSA-N 2 1 295.387 -0.867 20 0 CBADMP CN(CC(=O)N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1)C(N)=[NH2+] ZINC001144136929 814773342 /nfs/dbraw/zinc/77/33/42/814773342.db2.gz MRIQUGULJVDFGD-NXEZZACHSA-N 2 1 253.350 -0.636 20 0 CBADMP CN(CC(=O)NCc1[nH+]cn2ccccc12)C(N)=[NH2+] ZINC001144142384 814773538 /nfs/dbraw/zinc/77/35/38/814773538.db2.gz KMMSVPPUNXZWEF-UHFFFAOYSA-N 2 1 260.301 -0.224 20 0 CBADMP CN(CC(=O)NCC[C@H]1CCC[N@@H+](C)C1)C(N)=[NH2+] ZINC001144144259 814773757 /nfs/dbraw/zinc/77/37/57/814773757.db2.gz VVZAWDNEEXZFHA-SNVBAGLBSA-N 2 1 255.366 -0.340 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333356 814837523 /nfs/dbraw/zinc/83/75/23/814837523.db2.gz NXZQBJDQSXSADK-MNOVXSKESA-N 2 1 295.387 -0.190 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001146333039 814837685 /nfs/dbraw/zinc/83/76/85/814837685.db2.gz LVYQFDSGOSFLAD-UWVGGRQHSA-N 2 1 281.360 -0.450 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146595036 814841368 /nfs/dbraw/zinc/84/13/68/814841368.db2.gz WORPSIKWQBGMCP-NEPJUHHUSA-N 2 1 286.420 -0.055 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001146719921 814844880 /nfs/dbraw/zinc/84/48/80/814844880.db2.gz WNXZPCOTNOAPDR-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001146719921 814844887 /nfs/dbraw/zinc/84/48/87/814844887.db2.gz WNXZPCOTNOAPDR-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001146719999 814845777 /nfs/dbraw/zinc/84/57/77/814845777.db2.gz ZZDVIJLPDRXHGN-UHFFFAOYSA-N 2 1 286.420 -0.099 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001146719215 814846043 /nfs/dbraw/zinc/84/60/43/814846043.db2.gz LBKHMKBRWYRSJD-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842441 814919676 /nfs/dbraw/zinc/91/96/76/814919676.db2.gz XTZXBZVCXMJNLR-UHFFFAOYSA-N 2 1 298.391 -0.918 20 0 CBADMP Cc1cc(C[NH2+]CCNC(=O)COCC[NH+](C)C)nn1C ZINC001147848862 814920482 /nfs/dbraw/zinc/92/04/82/814920482.db2.gz XTQPCRLZMZJDBM-UHFFFAOYSA-N 2 1 297.403 -0.487 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878221 814922343 /nfs/dbraw/zinc/92/23/43/814922343.db2.gz VKYXNELTLASSHE-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001147885600 814922487 /nfs/dbraw/zinc/92/24/87/814922487.db2.gz NNIWJDMKODKDDN-ZDUSSCGKSA-N 2 1 279.388 -0.069 20 0 CBADMP [NH3+]C[C@@H](O)CC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160490344 815627887 /nfs/dbraw/zinc/62/78/87/815627887.db2.gz NBMLFQVDDHRIOB-AWEZNQCLSA-N 2 1 292.383 -0.522 20 0 CBADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN(C2CCOCC2)CC1 ZINC001160490967 815630112 /nfs/dbraw/zinc/63/01/12/815630112.db2.gz OAKSEJDFCPHXSQ-AWEZNQCLSA-N 2 1 298.431 -0.234 20 0 CBADMP NC(=O)c1cncc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160511522 815631351 /nfs/dbraw/zinc/63/13/51/815631351.db2.gz OBOSASZOXXILIB-ZDUSSCGKSA-N 2 1 276.344 -0.590 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)[C@]3(N)CC[NH2+]C3)CC2)c1 ZINC001160602842 815644314 /nfs/dbraw/zinc/64/43/14/815644314.db2.gz RZVJWICKAJPTOZ-HNNXBMFYSA-N 2 1 289.383 -0.271 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)c1 ZINC001160601906 815644362 /nfs/dbraw/zinc/64/43/62/815644362.db2.gz GLNMVUOEVQBMOL-STQMWFEESA-N 2 1 290.367 -0.239 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH2+]C[C@H]3F)C[C@H]2C1 ZINC001160703342 815660428 /nfs/dbraw/zinc/66/04/28/815660428.db2.gz BRKZPZGJCIYWSJ-WRWGMCAJSA-N 2 1 255.337 -0.046 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH2+]C[C@H]3F)C[C@H]2C1 ZINC001160703341 815660643 /nfs/dbraw/zinc/66/06/43/815660643.db2.gz BRKZPZGJCIYWSJ-WHOHXGKFSA-N 2 1 255.337 -0.046 20 0 CBADMP Cn1cnnc1C1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001160705020 815661718 /nfs/dbraw/zinc/66/17/18/815661718.db2.gz KOAOJEIORITLOQ-JTQLQIEISA-N 2 1 266.349 -0.803 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCc2nccn2CC1 ZINC001160760711 815668740 /nfs/dbraw/zinc/66/87/40/815668740.db2.gz PPAMLESBGGOLEQ-UHFFFAOYSA-N 2 1 277.372 -0.391 20 0 CBADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001160826402 815675242 /nfs/dbraw/zinc/67/52/42/815675242.db2.gz YLQOOQCHZPZLOK-AWEZNQCLSA-N 2 1 290.371 -0.997 20 0 CBADMP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160850667 815681425 /nfs/dbraw/zinc/68/14/25/815681425.db2.gz FEXPWNWKLJWXCT-YNEHKIRRSA-N 2 1 287.404 -0.164 20 0 CBADMP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160850667 815681429 /nfs/dbraw/zinc/68/14/29/815681429.db2.gz FEXPWNWKLJWXCT-YNEHKIRRSA-N 2 1 287.404 -0.164 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915819 815687485 /nfs/dbraw/zinc/68/74/85/815687485.db2.gz NPHKKYJXMIXAGT-NSHDSACASA-N 2 1 287.327 -0.926 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967016 815691948 /nfs/dbraw/zinc/69/19/48/815691948.db2.gz IJMCDPJEEFLYFT-CBAPKCEASA-N 2 1 273.287 -0.526 20 0 CBADMP [NH3+]C/C=C/CNc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001160983263 815693087 /nfs/dbraw/zinc/69/30/87/815693087.db2.gz WLTXABXCQVHYTG-OWOJBTEDSA-N 2 1 290.371 -0.157 20 0 CBADMP O=C([C@@H]1[NH2+]CCS1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999795 815693174 /nfs/dbraw/zinc/69/31/74/815693174.db2.gz KVYBCNHVMQPFGN-VHSXEESVSA-N 2 1 271.386 -0.636 20 0 CBADMP O=C([C@@H]1CSC[NH2+]1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999529 815693502 /nfs/dbraw/zinc/69/35/02/815693502.db2.gz GVAVBBFECMMHIW-UWVGGRQHSA-N 2 1 271.386 -0.636 20 0 CBADMP Cn1ncc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001161040804 815702835 /nfs/dbraw/zinc/70/28/35/815702835.db2.gz CTYGNDULAHWDNT-ZDUSSCGKSA-N 2 1 294.403 -0.105 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001161041078 815703749 /nfs/dbraw/zinc/70/37/49/815703749.db2.gz FJDKEZZDDGYIOU-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001161050496 815706041 /nfs/dbraw/zinc/70/60/41/815706041.db2.gz NRWPQQMWJMAABX-NWDGAFQWSA-N 2 1 299.419 -0.297 20 0 CBADMP CN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)C1(C)CC[NH2+]CC1 ZINC001161072872 815707498 /nfs/dbraw/zinc/70/74/98/815707498.db2.gz HUPVOTCYZRSSPY-ZDUSSCGKSA-N 2 1 297.447 -0.663 20 0 CBADMP CN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161065416 815707505 /nfs/dbraw/zinc/70/75/05/815707505.db2.gz RRRGPZCDVZTDCB-MCIONIFRSA-N 2 1 297.447 -0.535 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C[C@H]21 ZINC001161081015 815708588 /nfs/dbraw/zinc/70/85/88/815708588.db2.gz CEFSPSSNKWBEOE-HVNMYJMUSA-N 2 1 278.400 -0.239 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C[C@H]21 ZINC001161081416 815710230 /nfs/dbraw/zinc/71/02/30/815710230.db2.gz JOIWSQSUSRNVCF-DDHJBXDOSA-N 2 1 253.346 -0.881 20 0 CBADMP CC(=O)N1CCC[C@H](N(C)C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001161130113 815716982 /nfs/dbraw/zinc/71/69/82/815716982.db2.gz KDAICIBVUBNOIB-AWEZNQCLSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]([NH3+])CC[NH3+])C1 ZINC001161130584 815718758 /nfs/dbraw/zinc/71/87/58/815718758.db2.gz MARIGOHSQXHQDW-QWRGUYRKSA-N 2 1 256.350 -0.868 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001161229827 815729653 /nfs/dbraw/zinc/72/96/53/815729653.db2.gz XGKKZFYVZQNILJ-GUBZILKMSA-N 2 1 257.334 -0.524 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])COC(C)=O)C[C@H]2C1 ZINC001161176311 815726467 /nfs/dbraw/zinc/72/64/67/815726467.db2.gz SSQSLYJPKBDSBS-XQQFMLRXSA-N 2 1 283.372 -0.323 20 0 CBADMP CC(C)(O)CC[NH+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001161176963 815726551 /nfs/dbraw/zinc/72/65/51/815726551.db2.gz YBVQXROOWIVSLM-VXGBXAGGSA-N 2 1 285.388 -0.986 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@]3(N)CC[NH2+]C3)C[C@H]2C1 ZINC001161176266 815726573 /nfs/dbraw/zinc/72/65/73/815726573.db2.gz RPPKPDLUZAHIFK-SCRDCRAPSA-N 2 1 266.389 -0.523 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N2CCC(C3CC[NH2+]CC3)CC2)C1 ZINC001161207940 815727621 /nfs/dbraw/zinc/72/76/21/815727621.db2.gz FHHWFBFZEJWGQI-KGLIPLIRSA-N 2 1 280.416 -0.086 20 0 CBADMP CN(C(=O)c1cnc(C[NH3+])s1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221922 815730631 /nfs/dbraw/zinc/73/06/31/815730631.db2.gz QZDUWYJBJPBKQD-MTBHXBHISA-N 2 1 252.343 -0.108 20 0 CBADMP CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC001161338335 815744745 /nfs/dbraw/zinc/74/47/45/815744745.db2.gz DWSPZGCUUZTECL-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP CCN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC001161342142 815746450 /nfs/dbraw/zinc/74/64/50/815746450.db2.gz ZJDZYRCEAGZQEY-KBPBESRZSA-N 2 1 297.447 -0.663 20 0 CBADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3COCC[NH2+]3)C2)CC1 ZINC001161381664 815749161 /nfs/dbraw/zinc/74/91/61/815749161.db2.gz YUROKFYXXRQNSI-UONOGXRCSA-N 3 1 296.415 -0.611 20 0 CBADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3COCC[NH2+]3)C2)CC1 ZINC001161381660 815749271 /nfs/dbraw/zinc/74/92/71/815749271.db2.gz YUROKFYXXRQNSI-KBPBESRZSA-N 3 1 296.415 -0.611 20 0 CBADMP N[C@@H]1C[C@]2(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC[C@H]1[NH2+]2 ZINC001161412429 815751998 /nfs/dbraw/zinc/75/19/98/815751998.db2.gz KGSFZIPCGGQUNC-DZXXBYIOSA-N 2 1 264.373 -0.596 20 0 CBADMP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161422076 815753858 /nfs/dbraw/zinc/75/38/58/815753858.db2.gz ZFRYWAIUGHNZNN-OLZOCXBDSA-N 3 1 278.400 -0.223 20 0 CBADMP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN2CC[C@@H]2C1 ZINC001161422076 815753864 /nfs/dbraw/zinc/75/38/64/815753864.db2.gz ZFRYWAIUGHNZNN-OLZOCXBDSA-N 2 1 278.400 -0.223 20 0 CBADMP O=C(N1CC[N@H+]2CC[C@H]2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161421222 815754504 /nfs/dbraw/zinc/75/45/04/815754504.db2.gz OZDPCQKNLNGUAF-MBNYWOFBSA-N 3 1 264.373 -0.898 20 0 CBADMP O=C(N1CCN2CC[C@H]2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161421222 815754508 /nfs/dbraw/zinc/75/45/08/815754508.db2.gz OZDPCQKNLNGUAF-MBNYWOFBSA-N 2 1 264.373 -0.898 20 0 CBADMP O=C(CNC1CC[NH2+]CC1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161421952 815754741 /nfs/dbraw/zinc/75/47/41/815754741.db2.gz YSNDRMFTEVRXNC-GFCCVEGCSA-N 2 1 252.362 -0.756 20 0 CBADMP C[NH+](C)CCN(C(=O)[C@@]1(C)COCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161444657 815755987 /nfs/dbraw/zinc/75/59/87/815755987.db2.gz JRXOPNGBHURWLP-DZGCQCFKSA-N 3 1 298.431 -0.493 20 0 CBADMP NC[C@H]([NH3+])c1ccc(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)cc1 ZINC001161507282 815764855 /nfs/dbraw/zinc/76/48/55/815764855.db2.gz RTSILXDTIOTKRU-STQMWFEESA-N 2 1 290.367 -0.555 20 0 CBADMP CC[NH+](CC)CC(=O)NCCC1=CC[N@H+](CC(N)=O)CC1 ZINC001161504433 815764985 /nfs/dbraw/zinc/76/49/85/815764985.db2.gz LKMWLCGFLTWQJD-UHFFFAOYSA-N 2 1 296.415 -0.048 20 0 CBADMP CC[NH+](CC)CC(=O)NCCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001161504433 815764986 /nfs/dbraw/zinc/76/49/86/815764986.db2.gz LKMWLCGFLTWQJD-UHFFFAOYSA-N 2 1 296.415 -0.048 20 0 CBADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCNC2(CC2)C1 ZINC001161545552 815769059 /nfs/dbraw/zinc/76/90/59/815769059.db2.gz XEUHFSHPFWWCFS-NSHDSACASA-N 2 1 254.378 -0.332 20 0 CBADMP COC(=O)c1cnc2c(c1)CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001161573238 815773354 /nfs/dbraw/zinc/77/33/54/815773354.db2.gz BDYXZYFRYFWHOS-NSHDSACASA-N 2 1 292.339 -0.571 20 0 CBADMP [NH3+]C1CCN(c2cc[nH+]c(NC(CO)CO)n2)CC1 ZINC001161747187 815782497 /nfs/dbraw/zinc/78/24/97/815782497.db2.gz AEGNLVFQIONGIX-UHFFFAOYSA-N 2 1 267.333 -0.831 20 0 CBADMP [NH3+]C1CCN(c2cc[nH+]c(NC[C@@H]3CNC(=O)O3)n2)CC1 ZINC001163018845 815854161 /nfs/dbraw/zinc/85/41/61/815854161.db2.gz KHPWSWFOQINOST-SNVBAGLBSA-N 2 1 292.343 -0.076 20 0 CBADMP COC(=O)c1c[nH+]ccc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163108019 815859343 /nfs/dbraw/zinc/85/93/43/815859343.db2.gz KAXUPYVPCBIEGD-GIPNMCIBSA-N 2 1 277.324 -0.064 20 0 CBADMP COC(=O)c1c[nH+]ccc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163147342 815862919 /nfs/dbraw/zinc/86/29/19/815862919.db2.gz PJBYIGFBZBKOFS-YUSALJHKSA-N 2 1 263.297 -0.311 20 0 CBADMP Cc1[nH+]ccn1-c1cncc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001163240432 815871612 /nfs/dbraw/zinc/87/16/12/815871612.db2.gz KFDOQXHFSSAGFR-IINYFYTJSA-N 2 1 299.338 -0.039 20 0 CBADMP Cc1[nH+]ccn1-c1ccc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)nn1 ZINC001163243698 815872899 /nfs/dbraw/zinc/87/28/99/815872899.db2.gz WCROYDDDOAJSJM-IINYFYTJSA-N 2 1 299.338 -0.039 20 0 CBADMP COC(=O)c1c[nH+]ccc1N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163253355 815874393 /nfs/dbraw/zinc/87/43/93/815874393.db2.gz LEVSITVAXBSUAV-GWCFXTLKSA-N 2 1 276.296 -0.720 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001292999256 816496602 /nfs/dbraw/zinc/49/66/02/816496602.db2.gz ZJIWXCINUXXRLF-GFCCVEGCSA-N 2 1 294.399 -0.591 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001293334551 816516312 /nfs/dbraw/zinc/51/63/12/816516312.db2.gz WGTDFBAFJWMEMY-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001293334552 816516575 /nfs/dbraw/zinc/51/65/75/816516575.db2.gz WGTDFBAFJWMEMY-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP C[NH+](C)CCC(=O)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001298412546 816681244 /nfs/dbraw/zinc/68/12/44/816681244.db2.gz HHWQBPVUOBOIKL-IHVVCDCBSA-N 2 1 296.415 -0.322 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCCO)CC2)CC[N@@H+]1C ZINC001313444609 816867219 /nfs/dbraw/zinc/86/72/19/816867219.db2.gz GCFXENVTEJYNOQ-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCCO)CC2)CC[N@H+]1C ZINC001313444609 816867224 /nfs/dbraw/zinc/86/72/24/816867224.db2.gz GCFXENVTEJYNOQ-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001316623481 816871976 /nfs/dbraw/zinc/87/19/76/816871976.db2.gz HVUGUXAWTWLAMD-MELADBBJSA-N 2 1 299.415 -0.569 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001316831015 816887029 /nfs/dbraw/zinc/88/70/29/816887029.db2.gz WASYENJVYMVGFK-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@@H+](CCCNC(=O)CC1CC[NH+](C)CC1)CC(N)=O ZINC001316854961 816892132 /nfs/dbraw/zinc/89/21/32/816892132.db2.gz PWMMTEFLHQOLGX-UHFFFAOYSA-N 2 1 284.404 -0.358 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)[C@@H]2CCNC2=O)C1 ZINC001316851438 816892562 /nfs/dbraw/zinc/89/25/62/816892562.db2.gz WSEIBLQCLCJCEW-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001316851438 816892572 /nfs/dbraw/zinc/89/25/72/816892572.db2.gz WSEIBLQCLCJCEW-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001316851438 816892581 /nfs/dbraw/zinc/89/25/81/816892581.db2.gz WSEIBLQCLCJCEW-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CC(N)=O)C1CC1 ZINC001316922687 816901951 /nfs/dbraw/zinc/90/19/51/816901951.db2.gz VOEFMPBLYLNGHT-GFCCVEGCSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](CC(N)=O)C1CC1 ZINC001316922687 816901956 /nfs/dbraw/zinc/90/19/56/816901956.db2.gz VOEFMPBLYLNGHT-GFCCVEGCSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](CC(N)=O)C1CC1 ZINC001316922687 816901957 /nfs/dbraw/zinc/90/19/57/816901957.db2.gz VOEFMPBLYLNGHT-GFCCVEGCSA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]CCO)C2CC2)C1 ZINC001317035299 816922878 /nfs/dbraw/zinc/92/28/78/816922878.db2.gz SSSIAXZBPPNJIP-NEPJUHHUSA-N 2 1 255.362 -0.585 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001317072186 816928094 /nfs/dbraw/zinc/92/80/94/816928094.db2.gz FFISQKFVUUGFPU-AVGNSLFASA-N 2 1 285.388 -0.674 20 0 CBADMP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317107770 816932761 /nfs/dbraw/zinc/93/27/61/816932761.db2.gz QOYCONHOWBLWAB-FRRDWIJNSA-N 2 1 285.388 -0.410 20 0 CBADMP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317107770 816932766 /nfs/dbraw/zinc/93/27/66/816932766.db2.gz QOYCONHOWBLWAB-FRRDWIJNSA-N 2 1 285.388 -0.410 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCO ZINC001317246671 816949139 /nfs/dbraw/zinc/94/91/39/816949139.db2.gz WYMJZVPIVIFUBY-RYUDHWBXSA-N 2 1 257.378 -0.053 20 0 CBADMP CCCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317290379 816960039 /nfs/dbraw/zinc/96/00/39/816960039.db2.gz ONZABFQCPICTFY-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CCCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317290376 816960564 /nfs/dbraw/zinc/96/05/64/816960564.db2.gz ONZABFQCPICTFY-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+](CCCO)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317485315 816995469 /nfs/dbraw/zinc/99/54/69/816995469.db2.gz SRURHKDUZLVFKU-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](CCCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317485315 816995473 /nfs/dbraw/zinc/99/54/73/816995473.db2.gz SRURHKDUZLVFKU-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](CCCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001317485315 816995477 /nfs/dbraw/zinc/99/54/77/816995477.db2.gz SRURHKDUZLVFKU-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+]2CCO)C1 ZINC001317511452 817000707 /nfs/dbraw/zinc/00/07/07/817000707.db2.gz ASXKXQBYCJCJFN-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CCC[N@@H+]2CCO)C1 ZINC001317511452 817000718 /nfs/dbraw/zinc/00/07/18/817000718.db2.gz ASXKXQBYCJCJFN-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CCC[N@H+]2CCO)C1 ZINC001317511452 817000726 /nfs/dbraw/zinc/00/07/26/817000726.db2.gz ASXKXQBYCJCJFN-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP CCn1ncnc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001317574432 817018045 /nfs/dbraw/zinc/01/80/45/817018045.db2.gz WWHMATRWTKAJQW-LBPRGKRZSA-N 2 1 294.403 -0.060 20 0 CBADMP CCn1ncnc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001317574432 817018055 /nfs/dbraw/zinc/01/80/55/817018055.db2.gz WWHMATRWTKAJQW-LBPRGKRZSA-N 2 1 294.403 -0.060 20 0 CBADMP COCCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001318241698 817089959 /nfs/dbraw/zinc/08/99/59/817089959.db2.gz ZQLIKDIRYMZESS-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001318241698 817089967 /nfs/dbraw/zinc/08/99/67/817089967.db2.gz ZQLIKDIRYMZESS-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001318241698 817089972 /nfs/dbraw/zinc/08/99/72/817089972.db2.gz ZQLIKDIRYMZESS-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001318407841 817105819 /nfs/dbraw/zinc/10/58/19/817105819.db2.gz UIMRFUNHXVJLEB-GFCCVEGCSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CCO ZINC001318595932 817125795 /nfs/dbraw/zinc/12/57/95/817125795.db2.gz RLMUIHSWARWAIM-NEPJUHHUSA-N 2 1 257.378 -0.195 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)C[NH2+]CCCO)C1 ZINC001319281212 817185015 /nfs/dbraw/zinc/18/50/15/817185015.db2.gz GKWGHMWXQPBIKC-CHWSQXEVSA-N 2 1 287.404 -0.569 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)C[NH2+]CCCO)C1 ZINC001319281212 817185023 /nfs/dbraw/zinc/18/50/23/817185023.db2.gz GKWGHMWXQPBIKC-CHWSQXEVSA-N 2 1 287.404 -0.569 20 0 CBADMP CC(C)C[C@@H](C[NH2+]CCO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001319603104 817224073 /nfs/dbraw/zinc/22/40/73/817224073.db2.gz CISVBWBHXSXRCI-QWHCGFSZSA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)C[C@@H](C[NH2+]CCO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001319603104 817224079 /nfs/dbraw/zinc/22/40/79/817224079.db2.gz CISVBWBHXSXRCI-QWHCGFSZSA-N 2 1 287.404 -0.570 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]CC(C)C ZINC001320251005 817305956 /nfs/dbraw/zinc/30/59/56/817305956.db2.gz VTZFLTUPOXOWSG-GFCCVEGCSA-N 2 1 268.361 -0.086 20 0 CBADMP CCN(CC[NH2+]CC(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001320892039 817407695 /nfs/dbraw/zinc/40/76/95/817407695.db2.gz XMJXDWXNFLZYRN-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CCN(CC[NH2+]CC(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001320892038 817408499 /nfs/dbraw/zinc/40/84/99/817408499.db2.gz XMJXDWXNFLZYRN-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001320921539 817411372 /nfs/dbraw/zinc/41/13/72/817411372.db2.gz MYHXLYYLSHXWDG-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001321119713 817444809 /nfs/dbraw/zinc/44/48/09/817444809.db2.gz BTRCRANVUDNQGC-XMXMHJJKSA-N 2 1 282.388 -0.394 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)C(N)=O ZINC001321418825 817497475 /nfs/dbraw/zinc/49/74/75/817497475.db2.gz JVEWGQKLGVUQOS-AGFGORMFSA-N 2 1 296.415 -0.003 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188964210 823727019 /nfs/dbraw/zinc/72/70/19/823727019.db2.gz ZVYCJQJVEGYORD-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188964210 823727026 /nfs/dbraw/zinc/72/70/26/823727026.db2.gz ZVYCJQJVEGYORD-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CCCOC[C@H](O)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246017384 825621803 /nfs/dbraw/zinc/62/18/03/825621803.db2.gz ASRQSIVUSLYFOD-OLZOCXBDSA-N 2 1 260.378 -0.050 20 0 CBADMP C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001163822085 819854923 /nfs/dbraw/zinc/85/49/23/819854923.db2.gz RTASLVNNKIDFAS-NEPJUHHUSA-N 2 1 296.415 -0.170 20 0 CBADMP [NH3+]CCN(CCO)c1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001163829812 819855995 /nfs/dbraw/zinc/85/59/95/819855995.db2.gz DMRVHCPUPUUGHE-UHFFFAOYSA-N 3 1 280.376 -0.839 20 0 CBADMP C[NH+]1CCN(c2nccnc2N2CC[C@H]([NH3+])C2)CC1 ZINC001164281247 819896833 /nfs/dbraw/zinc/89/68/33/819896833.db2.gz WJGUGUSIDNZQOU-NSHDSACASA-N 2 1 262.361 -0.234 20 0 CBADMP O=C(CNc1nc(N2CC[NH2+]CC2)cc[nH+]1)N1CCCC1 ZINC001164570340 819930413 /nfs/dbraw/zinc/93/04/13/819930413.db2.gz JOKIKOFGOAVMLH-UHFFFAOYSA-N 2 1 290.371 -0.080 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001164574387 819931176 /nfs/dbraw/zinc/93/11/76/819931176.db2.gz JRYZSWVRIWQREQ-SRVKXCTJSA-N 2 1 284.404 -0.314 20 0 CBADMP NC(=O)[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)CC[NH2+]1 ZINC001165072906 819935497 /nfs/dbraw/zinc/93/54/97/819935497.db2.gz SSCDXZCGZSJBGA-ZDUSSCGKSA-N 2 1 289.383 -0.059 20 0 CBADMP C[N@@H+]1C[C@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)C[C@H]2C1 ZINC001165154216 819941851 /nfs/dbraw/zinc/94/18/51/819941851.db2.gz YWTIEXVUGUTITK-BETUJISGSA-N 2 1 288.399 -0.116 20 0 CBADMP Nc1cc(N2CC(=O)NC3(CC[NH2+]CC3)C2)nc[nH+]1 ZINC001165255156 819944253 /nfs/dbraw/zinc/94/42/53/819944253.db2.gz ODBGROKCLRHZNQ-UHFFFAOYSA-N 2 1 262.317 -0.883 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001166634251 820008343 /nfs/dbraw/zinc/00/83/43/820008343.db2.gz RPGZESQLJPBDIT-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166627178 820009809 /nfs/dbraw/zinc/00/98/09/820009809.db2.gz RNHLNXKYTXYUTC-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CCCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166667563 820014561 /nfs/dbraw/zinc/01/45/61/820014561.db2.gz DJOGMNDPKUDXNW-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001166668250 820015193 /nfs/dbraw/zinc/01/51/93/820015193.db2.gz WUYYAYAWYMBJOT-VXGBXAGGSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2cn(C)nn2)C1 ZINC001166677324 820015221 /nfs/dbraw/zinc/01/52/21/820015221.db2.gz HSFNGBCLHREKHL-GFCCVEGCSA-N 2 1 294.403 -0.247 20 0 CBADMP CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166692818 820015516 /nfs/dbraw/zinc/01/55/16/820015516.db2.gz QEUHINLTEVVJSU-OLZOCXBDSA-N 2 1 298.431 -0.194 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1cnon1 ZINC001166692879 820015915 /nfs/dbraw/zinc/01/59/15/820015915.db2.gz QXXHIEMIHYLVGO-CMPLNLGQSA-N 2 1 281.360 -0.137 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001166678936 820016075 /nfs/dbraw/zinc/01/60/75/820016075.db2.gz ZLIFDQHHMYFQLQ-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001166695098 820016593 /nfs/dbraw/zinc/01/65/93/820016593.db2.gz ZYOYZVAZUVXZLJ-CHWSQXEVSA-N 2 1 287.404 -0.711 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166694028 820017286 /nfs/dbraw/zinc/01/72/86/820017286.db2.gz UUCZZXJBZVLHPS-MNOVXSKESA-N 2 1 270.377 -0.974 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCC[NH2+]CC(N)=O)C2 ZINC001166699872 820017359 /nfs/dbraw/zinc/01/73/59/820017359.db2.gz YGINWPZWYOFYCI-NSHDSACASA-N 2 1 293.371 -0.665 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nncn1C ZINC001166708101 820018152 /nfs/dbraw/zinc/01/81/52/820018152.db2.gz MCELQZBJRSAYND-NEPJUHHUSA-N 2 1 294.403 -0.391 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001166715144 820019269 /nfs/dbraw/zinc/01/92/69/820019269.db2.gz SMVMADNZJDLUJE-YPMHNXCESA-N 2 1 294.403 -0.391 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCC[NH2+]CCO)C2 ZINC001166706837 820019562 /nfs/dbraw/zinc/01/95/62/820019562.db2.gz ANUNDUYRDPSQMA-GFCCVEGCSA-N 2 1 280.372 -0.158 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001166708670 820019916 /nfs/dbraw/zinc/01/99/16/820019916.db2.gz VXGRULXDCHNNSC-YPMHNXCESA-N 2 1 296.415 -0.441 20 0 CBADMP NC(=O)[C@@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)CC[NH2+]1 ZINC001166723399 820021683 /nfs/dbraw/zinc/02/16/83/820021683.db2.gz BVCRDEDOFHZCFD-VIFPVBQESA-N 2 1 296.762 -0.961 20 0 CBADMP C[N@@H+](CC(=O)NCCC[NH2+][C@H]1CCNC1=O)CC(C)(C)C ZINC001166744526 820034979 /nfs/dbraw/zinc/03/49/79/820034979.db2.gz YMMBKTYXHYLDDL-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP COC(=O)C1([NH3+])CCN(c2cc(C3C[NH2+]C3)ncn2)CC1 ZINC001166800768 820037854 /nfs/dbraw/zinc/03/78/54/820037854.db2.gz LQFZKUMHBGASHK-UHFFFAOYSA-N 2 1 291.355 -0.366 20 0 CBADMP CN1C[C@@H](Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)CCC1=O ZINC001167234528 820077310 /nfs/dbraw/zinc/07/73/10/820077310.db2.gz CFVNOTNYJYJGJP-NSHDSACASA-N 2 1 290.371 -0.081 20 0 CBADMP O=C1CC[C@H](Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)C(=O)N1 ZINC001167555654 820102716 /nfs/dbraw/zinc/10/27/16/820102716.db2.gz LVSLEMYDEMMJKC-VIFPVBQESA-N 2 1 290.327 -0.897 20 0 CBADMP C[C@H]1C[C@H]([NH2+]CCC[NH+](CCO)CCO)CCO1 ZINC001168072430 820143943 /nfs/dbraw/zinc/14/39/43/820143943.db2.gz QMOHZZLHCUMXEJ-QWHCGFSZSA-N 2 1 260.378 -0.180 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCO[C@H](C)C1 ZINC001168081653 820144337 /nfs/dbraw/zinc/14/43/37/820144337.db2.gz YWDMAYVCBWIEPV-VWYCJHECSA-N 2 1 286.376 -0.052 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001168363593 820159016 /nfs/dbraw/zinc/15/90/16/820159016.db2.gz LIAWNHCCUYPGJZ-NSHDSACASA-N 2 1 295.387 -0.059 20 0 CBADMP COCC[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168416955 820161797 /nfs/dbraw/zinc/16/17/97/820161797.db2.gz JKWRPENCJIQWIG-UHFFFAOYSA-N 2 1 273.377 -0.549 20 0 CBADMP [NH3+]Cc1ncn(-c2c[nH+]ccc2N2CCOCC2)n1 ZINC001168753518 820173945 /nfs/dbraw/zinc/17/39/45/820173945.db2.gz DCPYDFAUGPQYOX-UHFFFAOYSA-N 2 1 260.301 -0.042 20 0 CBADMP [NH3+]Cc1ncn(-c2ccnc(N3CCC([NH3+])CC3)n2)n1 ZINC001168749899 820174670 /nfs/dbraw/zinc/17/46/70/820174670.db2.gz HSQRLEOHCXSWJQ-UHFFFAOYSA-N 2 1 274.332 -0.557 20 0 CBADMP [NH3+]Cc1ncn(-c2ccc([C@@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)n1 ZINC001168754471 820174792 /nfs/dbraw/zinc/17/47/92/820174792.db2.gz SOQDLQMXCHQTMN-LBPRGKRZSA-N 2 1 298.350 -0.123 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C2 ZINC001169109475 820208454 /nfs/dbraw/zinc/20/84/54/820208454.db2.gz IZIXYQFJPFSEHD-CNDDSTCGSA-N 3 1 286.380 -0.251 20 0 CBADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCCN(CC[NH3+])N(O)N=O)C2 ZINC001169109475 820208460 /nfs/dbraw/zinc/20/84/60/820208460.db2.gz IZIXYQFJPFSEHD-CNDDSTCGSA-N 2 1 286.380 -0.251 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCCN(CC[NH3+])N(O)N=O)C2 ZINC001169109475 820208467 /nfs/dbraw/zinc/20/84/67/820208467.db2.gz IZIXYQFJPFSEHD-CNDDSTCGSA-N 2 1 286.380 -0.251 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CC(=O)NC1=O)C2 ZINC001169108051 820209339 /nfs/dbraw/zinc/20/93/39/820209339.db2.gz NNTWQKDBGSEOMR-CHWFTXMASA-N 2 1 251.330 -0.136 20 0 CBADMP O=C1CO[C@H](CNc2[nH+]cccc2N2CC[NH2+]CC2)CN1 ZINC001169271542 820219564 /nfs/dbraw/zinc/21/95/64/820219564.db2.gz PSXNKKLYNQXFEM-NSHDSACASA-N 2 1 291.355 -0.582 20 0 CBADMP CC(=O)N1CC[C@H]([NH2+]CCN2CCC[N@H+](C)CC2)C1 ZINC001169507524 820249522 /nfs/dbraw/zinc/24/95/22/820249522.db2.gz TYBLVAWQCYTHLI-AWEZNQCLSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169809981 820265961 /nfs/dbraw/zinc/26/59/61/820265961.db2.gz MVOGBFXMXIPQIM-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001170210683 820279867 /nfs/dbraw/zinc/27/98/67/820279867.db2.gz GMODZXJBJUENMQ-NSHDSACASA-N 2 1 298.387 -0.771 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001170211106 820280683 /nfs/dbraw/zinc/28/06/83/820280683.db2.gz JQFBNBKHYZNACK-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001170211500 820281129 /nfs/dbraw/zinc/28/11/29/820281129.db2.gz NZLKAGVMRNLKIR-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001170222536 820282165 /nfs/dbraw/zinc/28/21/65/820282165.db2.gz MMUQQEHXCZPIEF-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP C[C@@H](Nc1nc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001170557515 820306736 /nfs/dbraw/zinc/30/67/36/820306736.db2.gz CKBWQPWMNAQMSS-NEPJUHHUSA-N 3 1 292.387 -0.325 20 0 CBADMP OCC[NH+](CCO)CCC[NH2+][C@H]1CCCOCC1 ZINC001170777231 820319634 /nfs/dbraw/zinc/31/96/34/820319634.db2.gz XHQVTGDIUMFBMS-ZDUSSCGKSA-N 2 1 260.378 -0.178 20 0 CBADMP C[NH+]1CCN(c2nccnc2N[C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001170776603 820319802 /nfs/dbraw/zinc/31/98/02/820319802.db2.gz HEEOQCAMEASSFB-NWDGAFQWSA-N 2 1 292.387 -0.779 20 0 CBADMP CS(=O)(=O)c1cnc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001170899078 820334381 /nfs/dbraw/zinc/33/43/81/820334381.db2.gz WXAYFUXXFAOWLR-QMMMGPOBSA-N 2 1 259.335 -0.684 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171218749 820350364 /nfs/dbraw/zinc/35/03/64/820350364.db2.gz SNMZYULHDZBPCN-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CN1CC[C@@H]([NH2+]CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001171227057 820350644 /nfs/dbraw/zinc/35/06/44/820350644.db2.gz MERXTDKAHNRVCA-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@H]([NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001171227028 820350663 /nfs/dbraw/zinc/35/06/63/820350663.db2.gz LVJNEEUXJNYTDH-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP Cn1nnnc1C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171218612 820352442 /nfs/dbraw/zinc/35/24/42/820352442.db2.gz QHPFHCZAZFYVCD-NSHDSACASA-N 2 1 295.391 -0.852 20 0 CBADMP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C[C@@H](O)C[NH3+])CC1=O ZINC001171679325 820367078 /nfs/dbraw/zinc/36/70/78/820367078.db2.gz KCYFEOLJADSDPP-IUCAKERBSA-N 2 1 273.333 -0.568 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NCC ZINC001171724998 820369359 /nfs/dbraw/zinc/36/93/59/820369359.db2.gz CJDCQBCBJAXFLS-UHFFFAOYSA-N 2 1 286.420 -0.050 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001171762350 820369413 /nfs/dbraw/zinc/36/94/13/820369413.db2.gz AGXQMYADKPYHQQ-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CCOCCO ZINC001171725462 820370451 /nfs/dbraw/zinc/37/04/51/820370451.db2.gz LNVWHMIIBMDWGA-UHFFFAOYSA-N 2 1 289.420 -0.177 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001171762373 820370538 /nfs/dbraw/zinc/37/05/38/820370538.db2.gz BMNWSFDREINHIS-UHFFFAOYSA-N 2 1 282.392 -0.284 20 0 CBADMP COCCC[NH+]1CCC([NH2+][C@H]2CNC(=O)C2)CC1 ZINC001172246501 820391881 /nfs/dbraw/zinc/39/18/81/820391881.db2.gz KRGLGBTYHXFKMP-GFCCVEGCSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CC[C@@H](NCCC[NH+](CCO)CCO)C1 ZINC001173350510 820400335 /nfs/dbraw/zinc/40/03/35/820400335.db2.gz PFJPURIZXVFOHV-CYBMUJFWSA-N 2 1 259.394 -0.653 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176072311 820437863 /nfs/dbraw/zinc/43/78/63/820437863.db2.gz PEQCQQAFYNFDAC-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1)c1nnnn1C ZINC001176058615 820437877 /nfs/dbraw/zinc/43/78/77/820437877.db2.gz YYHVWDJDBIIIDU-MNOVXSKESA-N 2 1 295.391 -0.681 20 0 CBADMP Cn1cncc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176071837 820438390 /nfs/dbraw/zinc/43/83/90/820438390.db2.gz IZEABAHREKXRGN-GFCCVEGCSA-N 2 1 279.388 -0.032 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001176072351 820438669 /nfs/dbraw/zinc/43/86/69/820438669.db2.gz QHUUTZZJJQCSNC-NSHDSACASA-N 2 1 291.417 -0.921 20 0 CBADMP CCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176071604 820438729 /nfs/dbraw/zinc/43/87/29/820438729.db2.gz GQSIGTKYCVLIOV-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H]2CCOC2)C1 ZINC001176635653 820453372 /nfs/dbraw/zinc/45/33/72/820453372.db2.gz DPBUFVDDZFEYAF-KGLIPLIRSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H]2CCOC2)C1 ZINC001176635653 820453376 /nfs/dbraw/zinc/45/33/76/820453376.db2.gz DPBUFVDDZFEYAF-KGLIPLIRSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H](C)O)C1 ZINC001176644060 820455334 /nfs/dbraw/zinc/45/53/34/820455334.db2.gz KTKVAVFUKDBJRU-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H](C)O)C1 ZINC001176644060 820455340 /nfs/dbraw/zinc/45/53/40/820455340.db2.gz KTKVAVFUKDBJRU-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]CC(N)=O ZINC001176845137 820466786 /nfs/dbraw/zinc/46/67/86/820466786.db2.gz PTNWUUNSJKOVLJ-PHIMTYICSA-N 2 1 270.377 -0.560 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001176980851 820485318 /nfs/dbraw/zinc/48/53/18/820485318.db2.gz SMVHUMPPAMTWMY-UHFFFAOYSA-N 2 1 283.380 -0.854 20 0 CBADMP COCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177087269 820492666 /nfs/dbraw/zinc/49/26/66/820492666.db2.gz DFZKYSCECXXKEC-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177087269 820492671 /nfs/dbraw/zinc/49/26/71/820492671.db2.gz DFZKYSCECXXKEC-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+]1CCN(CC(=O)N(c2ncccn2)C2C[NH2+]C2)CC1 ZINC001178950617 820608538 /nfs/dbraw/zinc/60/85/38/820608538.db2.gz WFNARVYANBZPHU-UHFFFAOYSA-N 2 1 290.371 -0.971 20 0 CBADMP C[NH+](C)C[C@@H]1COCCN1C(=O)CN1CC[NH+](C)CC1 ZINC001178950256 820608658 /nfs/dbraw/zinc/60/86/58/820608658.db2.gz PBIOOOWVAQHVQJ-CYBMUJFWSA-N 2 1 284.404 -0.977 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001179337299 820625041 /nfs/dbraw/zinc/62/50/41/820625041.db2.gz MCGAIYRIFYOJMI-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C ZINC001179861186 820643173 /nfs/dbraw/zinc/64/31/73/820643173.db2.gz OWMDCJCQDHNSJC-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001179979149 820647287 /nfs/dbraw/zinc/64/72/87/820647287.db2.gz RUFAAQYLRIYMLR-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124240 820650501 /nfs/dbraw/zinc/65/05/01/820650501.db2.gz GMSIVRYMPDBUFK-XQQFMLRXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180124608 820650851 /nfs/dbraw/zinc/65/08/51/820650851.db2.gz KPJSOVAEOUGOMR-XQQFMLRXSA-N 2 1 296.415 -0.395 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCOC)[C@@H]2C)C1 ZINC001180182983 820653286 /nfs/dbraw/zinc/65/32/86/820653286.db2.gz XXTCDELBCOMGGH-MELADBBJSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCOC)[C@@H]2C)C1 ZINC001180182983 820653292 /nfs/dbraw/zinc/65/32/92/820653292.db2.gz XXTCDELBCOMGGH-MELADBBJSA-N 2 1 299.415 -0.068 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001189923640 823789708 /nfs/dbraw/zinc/78/97/08/823789708.db2.gz UUSIOFFTOCKLQO-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473056 820922300 /nfs/dbraw/zinc/92/23/00/820922300.db2.gz NRONAPNZQCLWPX-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001182553458 820928224 /nfs/dbraw/zinc/92/82/24/820928224.db2.gz BCXYOBMTUOEKNC-NSHDSACASA-N 2 1 289.401 -0.392 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001189923640 823789693 /nfs/dbraw/zinc/78/96/93/823789693.db2.gz UUSIOFFTOCKLQO-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001189923640 823789700 /nfs/dbraw/zinc/78/97/00/823789700.db2.gz UUSIOFFTOCKLQO-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001183647433 821012376 /nfs/dbraw/zinc/01/23/76/821012376.db2.gz HRMLDZSJYQDNSX-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249419 821111314 /nfs/dbraw/zinc/11/13/14/821111314.db2.gz WYBMGMVATHKVLD-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001185258704 821113778 /nfs/dbraw/zinc/11/37/78/821113778.db2.gz YORVMJGJXPKJES-VNHYZAJKSA-N 2 1 280.416 -0.358 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC001185261773 821114919 /nfs/dbraw/zinc/11/49/19/821114919.db2.gz HMWHMMGOJZJPDW-RYUDHWBXSA-N 2 1 254.378 -0.557 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001185261773 821114924 /nfs/dbraw/zinc/11/49/24/821114924.db2.gz HMWHMMGOJZJPDW-RYUDHWBXSA-N 2 1 254.378 -0.557 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001185261773 821114930 /nfs/dbraw/zinc/11/49/30/821114930.db2.gz HMWHMMGOJZJPDW-RYUDHWBXSA-N 2 1 254.378 -0.557 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC([NH+](C)[C@H]2CCOC2)C1 ZINC001185258420 821115445 /nfs/dbraw/zinc/11/54/45/821115445.db2.gz SPJOEIMQPFANSN-JSGCOSHPSA-N 2 1 296.415 -0.836 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001185258420 821115454 /nfs/dbraw/zinc/11/54/54/821115454.db2.gz SPJOEIMQPFANSN-JSGCOSHPSA-N 2 1 296.415 -0.836 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001185258420 821115460 /nfs/dbraw/zinc/11/54/60/821115460.db2.gz SPJOEIMQPFANSN-JSGCOSHPSA-N 2 1 296.415 -0.836 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)NCC[C@@H]1CCC[NH+]1C ZINC001185262389 821117578 /nfs/dbraw/zinc/11/75/78/821117578.db2.gz NKWZUDFSSTWHCG-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)NCC[C@@H]1CCC[N@@H+]1C ZINC001185262389 821117583 /nfs/dbraw/zinc/11/75/83/821117583.db2.gz NKWZUDFSSTWHCG-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001185262389 821117588 /nfs/dbraw/zinc/11/75/88/821117588.db2.gz NKWZUDFSSTWHCG-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)c1nnnn1C ZINC001185408231 821128945 /nfs/dbraw/zinc/12/89/45/821128945.db2.gz OWRLJWDTGVAIKY-WDEREUQCSA-N 2 1 295.391 -0.587 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185546819 821135359 /nfs/dbraw/zinc/13/53/59/821135359.db2.gz DNJHDUSQFYOHRA-STQMWFEESA-N 2 1 298.431 -0.112 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185659314 821138518 /nfs/dbraw/zinc/13/85/18/821138518.db2.gz GVMMOZGLSAARPR-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCN(C(=O)C[N@@H+]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC001186037299 821153414 /nfs/dbraw/zinc/15/34/14/821153414.db2.gz HACARZKASJAVJS-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP COCCN(C(=O)C[N@H+]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC001186037299 821153419 /nfs/dbraw/zinc/15/34/19/821153419.db2.gz HACARZKASJAVJS-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](O)C3)C[C@H]21 ZINC001186044245 821155407 /nfs/dbraw/zinc/15/54/07/821155407.db2.gz DUDSLJNNMXDXEJ-JHJVBQTASA-N 2 1 267.373 -0.394 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](O)C3)C[C@H]21 ZINC001186044245 821155412 /nfs/dbraw/zinc/15/54/12/821155412.db2.gz DUDSLJNNMXDXEJ-JHJVBQTASA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C[C@H]21 ZINC001186044245 821155417 /nfs/dbraw/zinc/15/54/17/821155417.db2.gz DUDSLJNNMXDXEJ-JHJVBQTASA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C[C@H]21 ZINC001186044245 821155422 /nfs/dbraw/zinc/15/54/22/821155422.db2.gz DUDSLJNNMXDXEJ-JHJVBQTASA-N 2 1 267.373 -0.394 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186044911 821156486 /nfs/dbraw/zinc/15/64/86/821156486.db2.gz MUBSHZZXXUKEGX-LBPRGKRZSA-N 2 1 255.362 -0.393 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186044911 821156492 /nfs/dbraw/zinc/15/64/92/821156492.db2.gz MUBSHZZXXUKEGX-LBPRGKRZSA-N 2 1 255.362 -0.393 20 0 CBADMP C[NH+](C)CCCCCNC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186047661 821158678 /nfs/dbraw/zinc/15/86/78/821158678.db2.gz AYBJOWIOPUQFLG-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+](C)CCCCCNC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186047661 821158687 /nfs/dbraw/zinc/15/86/87/821158687.db2.gz AYBJOWIOPUQFLG-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001186046012 821160370 /nfs/dbraw/zinc/16/03/70/821160370.db2.gz YDQFVAXXYKVDMM-LBPRGKRZSA-N 2 1 269.389 -0.004 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC001186046012 821160375 /nfs/dbraw/zinc/16/03/75/821160375.db2.gz YDQFVAXXYKVDMM-LBPRGKRZSA-N 2 1 269.389 -0.004 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)n2ccc(C[NH3+])cc2=N)C1 ZINC001186116206 821172462 /nfs/dbraw/zinc/17/24/62/821172462.db2.gz UWCNHXXKBFDPST-NSHDSACASA-N 2 1 292.339 -0.439 20 0 CBADMP COCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186355644 821180919 /nfs/dbraw/zinc/18/09/19/821180919.db2.gz LCNRISJRKFSEJC-CYBMUJFWSA-N 2 1 285.388 -0.454 20 0 CBADMP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1)C(N)=O ZINC001186834889 821200885 /nfs/dbraw/zinc/20/08/85/821200885.db2.gz VOTSNEPXYFEPHN-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187106567 821212528 /nfs/dbraw/zinc/21/25/28/821212528.db2.gz KBAPQUQVEHKIGT-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187106096 821213324 /nfs/dbraw/zinc/21/33/24/821213324.db2.gz BFIHCTXDWLXBGL-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+]C[C@@H]2CCOC2)C1 ZINC001279900969 828341950 /nfs/dbraw/zinc/34/19/50/828341950.db2.gz BAZBWZOREAGLSL-KBPBESRZSA-N 2 1 299.415 -0.615 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001187291141 822264136 /nfs/dbraw/zinc/26/41/36/822264136.db2.gz KCZMQAGDNXQERQ-SNVBAGLBSA-N 2 1 256.350 -0.996 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001187323017 822267603 /nfs/dbraw/zinc/26/76/03/822267603.db2.gz UBCCBMUEGPVZGZ-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001187825691 822297797 /nfs/dbraw/zinc/29/77/97/822297797.db2.gz RJFXPBNUOCFVNY-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCOC)C2)C1 ZINC001187982050 822312913 /nfs/dbraw/zinc/31/29/13/822312913.db2.gz DOGPWZWIVBBOKU-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCOC)C2)C1 ZINC001187982050 822312924 /nfs/dbraw/zinc/31/29/24/822312924.db2.gz DOGPWZWIVBBOKU-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001188002870 822315311 /nfs/dbraw/zinc/31/53/11/822315311.db2.gz XYMLGVIBJJHCOO-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001188002870 822315323 /nfs/dbraw/zinc/31/53/23/822315323.db2.gz XYMLGVIBJJHCOO-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)[NH2+]CCO ZINC001282141510 828436420 /nfs/dbraw/zinc/43/64/20/828436420.db2.gz OKLXOUARIZVQEK-QWRGUYRKSA-N 2 1 257.378 -0.054 20 0 CBADMP C[C@@H]([NH2+]CCO)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001282141509 828436569 /nfs/dbraw/zinc/43/65/69/828436569.db2.gz OKLXOUARIZVQEK-MNOVXSKESA-N 2 1 257.378 -0.054 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)CCO ZINC001282460826 828449222 /nfs/dbraw/zinc/44/92/22/828449222.db2.gz HAOXKYKMJWPGBS-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)CCO ZINC001282460826 828449225 /nfs/dbraw/zinc/44/92/25/828449225.db2.gz HAOXKYKMJWPGBS-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)CCO ZINC001282460826 828449228 /nfs/dbraw/zinc/44/92/28/828449228.db2.gz HAOXKYKMJWPGBS-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CCC[NH2+][C@H](CO)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001283822833 828553250 /nfs/dbraw/zinc/55/32/50/828553250.db2.gz CWSRTUAZGDJUBQ-JSGCOSHPSA-N 2 1 269.389 -0.051 20 0 CBADMP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283827945 828554557 /nfs/dbraw/zinc/55/45/57/828554557.db2.gz VRGWYHJNMHPHOD-NWDGAFQWSA-N 2 1 257.378 -0.339 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054556 823731876 /nfs/dbraw/zinc/73/18/76/823731876.db2.gz FWHWQPAYCWCMAI-YNEHKIRRSA-N 2 1 296.415 -0.265 20 0 CBADMP C[N@H+](CCCO)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517492 823763683 /nfs/dbraw/zinc/76/36/83/823763683.db2.gz SIZITOSMRASYPR-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP C[N@@H+](CCCO)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517492 823763689 /nfs/dbraw/zinc/76/36/89/823763689.db2.gz SIZITOSMRASYPR-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCCO)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189517492 823763693 /nfs/dbraw/zinc/76/36/93/823763693.db2.gz SIZITOSMRASYPR-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCCO)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189517492 823763697 /nfs/dbraw/zinc/76/36/97/823763697.db2.gz SIZITOSMRASYPR-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190777457 823848336 /nfs/dbraw/zinc/84/83/36/823848336.db2.gz USSZCHQMAAAUAK-OCCSQVGLSA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190777457 823848341 /nfs/dbraw/zinc/84/83/41/823848341.db2.gz USSZCHQMAAAUAK-OCCSQVGLSA-N 2 1 298.431 -0.149 20 0 CBADMP COCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001190900521 823858074 /nfs/dbraw/zinc/85/80/74/823858074.db2.gz QNMJMEYBTBZRDY-HZSPNIEDSA-N 2 1 299.415 -0.115 20 0 CBADMP COCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190900521 823858081 /nfs/dbraw/zinc/85/80/81/823858081.db2.gz QNMJMEYBTBZRDY-HZSPNIEDSA-N 2 1 299.415 -0.115 20 0 CBADMP COCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190900521 823858087 /nfs/dbraw/zinc/85/80/87/823858087.db2.gz QNMJMEYBTBZRDY-HZSPNIEDSA-N 2 1 299.415 -0.115 20 0 CBADMP COCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190900521 823858090 /nfs/dbraw/zinc/85/80/90/823858090.db2.gz QNMJMEYBTBZRDY-HZSPNIEDSA-N 2 1 299.415 -0.115 20 0 CBADMP COCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190900521 823858096 /nfs/dbraw/zinc/85/80/96/823858096.db2.gz QNMJMEYBTBZRDY-HZSPNIEDSA-N 2 1 299.415 -0.115 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191728482 823919765 /nfs/dbraw/zinc/91/97/65/823919765.db2.gz ZLGGOPJJKIVEHO-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@@H](O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191728482 823919772 /nfs/dbraw/zinc/91/97/72/823919772.db2.gz ZLGGOPJJKIVEHO-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@@H](O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191728482 823919780 /nfs/dbraw/zinc/91/97/80/823919780.db2.gz ZLGGOPJJKIVEHO-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001192038867 823944253 /nfs/dbraw/zinc/94/42/53/823944253.db2.gz TXJOJLABAFQZOL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001192151682 823953693 /nfs/dbraw/zinc/95/36/93/823953693.db2.gz BQUYGPYBMBYZHK-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192172158 823956428 /nfs/dbraw/zinc/95/64/28/823956428.db2.gz ZQWXMYDOERPPOT-RYUDHWBXSA-N 2 1 257.378 -0.148 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170352 823956858 /nfs/dbraw/zinc/95/68/58/823956858.db2.gz JLSUILWDJZVUPD-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001192387748 823963944 /nfs/dbraw/zinc/96/39/44/823963944.db2.gz YQVFVGMBGIQCQI-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N(C)C)C1 ZINC001192961424 823993866 /nfs/dbraw/zinc/99/38/66/823993866.db2.gz YCUSOMAMORSOAJ-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001284468890 828599598 /nfs/dbraw/zinc/59/95/98/828599598.db2.gz OZOOZMNIDHNNTP-STQMWFEESA-N 2 1 269.389 -0.243 20 0 CBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC)C[C@H]1O ZINC001193455982 824028850 /nfs/dbraw/zinc/02/88/50/824028850.db2.gz JPKAQWXXYAMAFE-QJPTWQEYSA-N 2 1 275.368 -0.153 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@@H]2CCNC2=O)C1 ZINC001193630155 824040993 /nfs/dbraw/zinc/04/09/93/824040993.db2.gz GBBHGRSCPSPHGL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001193630155 824040995 /nfs/dbraw/zinc/04/09/95/824040995.db2.gz GBBHGRSCPSPHGL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001193630155 824040998 /nfs/dbraw/zinc/04/09/98/824040998.db2.gz GBBHGRSCPSPHGL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774324 824045140 /nfs/dbraw/zinc/04/51/40/824045140.db2.gz MEGWZZNEZKICLH-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193804613 824046697 /nfs/dbraw/zinc/04/66/97/824046697.db2.gz BLNSXVJGZIXZGU-CHWSQXEVSA-N 2 1 285.388 -0.722 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193804613 824046700 /nfs/dbraw/zinc/04/67/00/824046700.db2.gz BLNSXVJGZIXZGU-CHWSQXEVSA-N 2 1 285.388 -0.722 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193804613 824046706 /nfs/dbraw/zinc/04/67/06/824046706.db2.gz BLNSXVJGZIXZGU-CHWSQXEVSA-N 2 1 285.388 -0.722 20 0 CBADMP CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194002608 824055582 /nfs/dbraw/zinc/05/55/82/824055582.db2.gz VLBRPWMWLNSUFW-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002608 824055585 /nfs/dbraw/zinc/05/55/85/824055585.db2.gz VLBRPWMWLNSUFW-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002608 824055593 /nfs/dbraw/zinc/05/55/93/824055593.db2.gz VLBRPWMWLNSUFW-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002608 824055605 /nfs/dbraw/zinc/05/56/05/824055605.db2.gz VLBRPWMWLNSUFW-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194002608 824055612 /nfs/dbraw/zinc/05/56/12/824055612.db2.gz VLBRPWMWLNSUFW-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194026579 824056088 /nfs/dbraw/zinc/05/60/88/824056088.db2.gz GPMQWLLQKIBGDW-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194026579 824056094 /nfs/dbraw/zinc/05/60/94/824056094.db2.gz GPMQWLLQKIBGDW-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP C[N@@H+](CCCO)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194011069 824056823 /nfs/dbraw/zinc/05/68/23/824056823.db2.gz OAZSRXFEJOOZMW-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCCO)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194011069 824056830 /nfs/dbraw/zinc/05/68/30/824056830.db2.gz OAZSRXFEJOOZMW-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCCO)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194011069 824056838 /nfs/dbraw/zinc/05/68/38/824056838.db2.gz OAZSRXFEJOOZMW-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CCCO)C2)C1 ZINC001194153292 824061875 /nfs/dbraw/zinc/06/18/75/824061875.db2.gz CGUFGUREJBYJOT-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CCCO)C2)C1 ZINC001194153292 824061878 /nfs/dbraw/zinc/06/18/78/824061878.db2.gz CGUFGUREJBYJOT-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCCO)C2)C1 ZINC001194153292 824061884 /nfs/dbraw/zinc/06/18/84/824061884.db2.gz CGUFGUREJBYJOT-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCO)C2)C1 ZINC001194153292 824061889 /nfs/dbraw/zinc/06/18/89/824061889.db2.gz CGUFGUREJBYJOT-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708196 824129339 /nfs/dbraw/zinc/12/93/39/824129339.db2.gz HRUYYUGHLRCKBZ-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860203 824135509 /nfs/dbraw/zinc/13/55/09/824135509.db2.gz TZEXBGFUPKRZPY-JHJVBQTASA-N 2 1 287.404 -0.740 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001195860313 824135759 /nfs/dbraw/zinc/13/57/59/824135759.db2.gz VJFPIXXYJGCHRA-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O ZINC001195859984 824135827 /nfs/dbraw/zinc/13/58/27/824135827.db2.gz QLOLOAJPRWEAPX-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871976 824135871 /nfs/dbraw/zinc/13/58/71/824135871.db2.gz VKSWVZZOPXJYFV-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)[NH+](CC)CC ZINC001196129083 824148569 /nfs/dbraw/zinc/14/85/69/824148569.db2.gz HTQBTYYEHPYXKK-FRRDWIJNSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[NH+](CC)CC ZINC001196129083 824148573 /nfs/dbraw/zinc/14/85/73/824148573.db2.gz HTQBTYYEHPYXKK-FRRDWIJNSA-N 2 1 287.404 -0.740 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001196169097 824150885 /nfs/dbraw/zinc/15/08/85/824150885.db2.gz OFJCDCZMBZYBND-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001196169097 824150887 /nfs/dbraw/zinc/15/08/87/824150887.db2.gz OFJCDCZMBZYBND-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001196169097 824150889 /nfs/dbraw/zinc/15/08/89/824150889.db2.gz OFJCDCZMBZYBND-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001196169801 824151035 /nfs/dbraw/zinc/15/10/35/824151035.db2.gz ZWWROBAOFIDKQY-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001196169801 824151038 /nfs/dbraw/zinc/15/10/38/824151038.db2.gz ZWWROBAOFIDKQY-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[N@@H+](CCOCCO)CC1 ZINC001197044541 824176551 /nfs/dbraw/zinc/17/65/51/824176551.db2.gz SVJRSIIXEIUOKX-UHFFFAOYSA-N 2 1 287.404 -0.519 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)COC)C[C@H]1O ZINC001197493317 824193677 /nfs/dbraw/zinc/19/36/77/824193677.db2.gz IDRQJXIOGRBCGJ-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@H]1O ZINC001197493317 824193679 /nfs/dbraw/zinc/19/36/79/824193679.db2.gz IDRQJXIOGRBCGJ-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@H]1O ZINC001197493317 824193683 /nfs/dbraw/zinc/19/36/83/824193683.db2.gz IDRQJXIOGRBCGJ-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCCN([C@@H]2CCNC2=O)CC1 ZINC001197705651 824198484 /nfs/dbraw/zinc/19/84/84/824198484.db2.gz CADNWXXAVXLFSK-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001197705651 824198489 /nfs/dbraw/zinc/19/84/89/824198489.db2.gz CADNWXXAVXLFSK-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001197705651 824198492 /nfs/dbraw/zinc/19/84/92/824198492.db2.gz CADNWXXAVXLFSK-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001197705651 824198495 /nfs/dbraw/zinc/19/84/95/824198495.db2.gz CADNWXXAVXLFSK-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001197705651 824198500 /nfs/dbraw/zinc/19/85/00/824198500.db2.gz CADNWXXAVXLFSK-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197948043 824209566 /nfs/dbraw/zinc/20/95/66/824209566.db2.gz DOYOSURYVMOCSI-JHJVBQTASA-N 2 1 287.404 -0.740 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197948045 824210763 /nfs/dbraw/zinc/21/07/63/824210763.db2.gz DOYOSURYVMOCSI-YNEHKIRRSA-N 2 1 287.404 -0.740 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001198098215 824218170 /nfs/dbraw/zinc/21/81/70/824218170.db2.gz RMVXQWVNRSMYDI-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198744768 824237721 /nfs/dbraw/zinc/23/77/21/824237721.db2.gz ZQDGWUJQTHBWCV-ZIAGYGMSSA-N 2 1 299.415 -0.594 20 0 CBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001199057972 824247231 /nfs/dbraw/zinc/24/72/31/824247231.db2.gz YTTLANMQDPLSKK-CHWSQXEVSA-N 2 1 285.388 -0.984 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199095894 824247742 /nfs/dbraw/zinc/24/77/42/824247742.db2.gz MNHNLLYXFCWOJS-JHJVBQTASA-N 2 1 287.404 -0.477 20 0 CBADMP COC[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199095894 824247749 /nfs/dbraw/zinc/24/77/49/824247749.db2.gz MNHNLLYXFCWOJS-JHJVBQTASA-N 2 1 287.404 -0.477 20 0 CBADMP COC[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199095894 824247757 /nfs/dbraw/zinc/24/77/57/824247757.db2.gz MNHNLLYXFCWOJS-JHJVBQTASA-N 2 1 287.404 -0.477 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199103660 824248892 /nfs/dbraw/zinc/24/88/92/824248892.db2.gz BJUDGWVJQJPZRK-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199103660 824248881 /nfs/dbraw/zinc/24/88/81/824248881.db2.gz BJUDGWVJQJPZRK-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199103660 824248885 /nfs/dbraw/zinc/24/88/85/824248885.db2.gz BJUDGWVJQJPZRK-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001199104635 824249736 /nfs/dbraw/zinc/24/97/36/824249736.db2.gz PVULCFHTXKGPGU-VXGBXAGGSA-N 2 1 275.368 -0.153 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001199104635 824249743 /nfs/dbraw/zinc/24/97/43/824249743.db2.gz PVULCFHTXKGPGU-VXGBXAGGSA-N 2 1 275.368 -0.153 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001199104635 824249748 /nfs/dbraw/zinc/24/97/48/824249748.db2.gz PVULCFHTXKGPGU-VXGBXAGGSA-N 2 1 275.368 -0.153 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CC2)C[C@H]1O ZINC001199103740 824250123 /nfs/dbraw/zinc/25/01/23/824250123.db2.gz CGQHPEOMFFLAMR-CHWSQXEVSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001199103740 824250130 /nfs/dbraw/zinc/25/01/30/824250130.db2.gz CGQHPEOMFFLAMR-CHWSQXEVSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001199103740 824250132 /nfs/dbraw/zinc/25/01/32/824250132.db2.gz CGQHPEOMFFLAMR-CHWSQXEVSA-N 2 1 269.389 -0.102 20 0 CBADMP COC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199943253 824297620 /nfs/dbraw/zinc/29/76/20/824297620.db2.gz GOZBNXMDGKIWSA-OCCSQVGLSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943253 824297628 /nfs/dbraw/zinc/29/76/28/824297628.db2.gz GOZBNXMDGKIWSA-OCCSQVGLSA-N 2 1 299.415 -0.068 20 0 CBADMP CNC(=O)CC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001200377127 824317484 /nfs/dbraw/zinc/31/74/84/824317484.db2.gz ISDCWBGAIFCYAC-UHFFFAOYSA-N 2 1 292.387 -0.546 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)CC[N@H+]1C ZINC001200546382 824321591 /nfs/dbraw/zinc/32/15/91/824321591.db2.gz CQXVBIGSSCLFRW-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001202070244 824341803 /nfs/dbraw/zinc/34/18/03/824341803.db2.gz SFJZNQNINJPWOF-CYBMUJFWSA-N 2 1 296.371 -0.609 20 0 CBADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cn(CC(N)=O)nn2)C1 ZINC001202750510 824351449 /nfs/dbraw/zinc/35/14/49/824351449.db2.gz UFPOMWVQAAKZGF-LLVKDONJSA-N 2 1 280.376 -0.415 20 0 CBADMP CN(C)CC(=O)N[C@@H]1CCCN(CC(=O)N(C)C)C1 ZINC001203022445 824358052 /nfs/dbraw/zinc/35/80/52/824358052.db2.gz YKHPSNCRHWRPCE-LLVKDONJSA-N 2 1 270.377 -0.783 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCCO)CC2)C1 ZINC001203814851 824362939 /nfs/dbraw/zinc/36/29/39/824362939.db2.gz IZKMSAUYHVDZST-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCCO)CC2)C1 ZINC001203814851 824362941 /nfs/dbraw/zinc/36/29/41/824362941.db2.gz IZKMSAUYHVDZST-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@@H+](CCN2CCOCC2)CC1 ZINC001205211451 824375720 /nfs/dbraw/zinc/37/57/20/824375720.db2.gz UUSOVRUBGSEJMG-ZDUSSCGKSA-N 2 1 257.378 -0.506 20 0 CBADMP N[C@H]1NC(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)=CS1 ZINC001205209385 824376012 /nfs/dbraw/zinc/37/60/12/824376012.db2.gz IZGJCKSZKYJHRQ-WDEREUQCSA-N 2 1 258.391 -0.418 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(=O)[nH]n2)CC1 ZINC001205242206 824376515 /nfs/dbraw/zinc/37/65/15/824376515.db2.gz XSBIEKDLFPOQIT-GFCCVEGCSA-N 2 1 252.318 -0.142 20 0 CBADMP COC(=O)c1cnc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cn1 ZINC001205231589 824376817 /nfs/dbraw/zinc/37/68/17/824376817.db2.gz ZZSKEBRYQBFQTD-CQSZACIVSA-N 2 1 294.355 -0.061 20 0 CBADMP [NH3+]C[C@@]1(O)CCCCN(Cc2cn3c(n2)C[NH2+]CC3)C1 ZINC001205671333 824381194 /nfs/dbraw/zinc/38/11/94/824381194.db2.gz AFDNYXQALNPOCD-AWEZNQCLSA-N 2 1 279.388 -0.338 20 0 CBADMP [NH3+]C[C@@]1(O)CCCCN(Cc2cnc3n2CC[NH2+]C3)C1 ZINC001205735030 824384053 /nfs/dbraw/zinc/38/40/53/824384053.db2.gz JCBYPOKGSRLOJX-AWEZNQCLSA-N 2 1 279.388 -0.338 20 0 CBADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205953452 824390119 /nfs/dbraw/zinc/39/01/19/824390119.db2.gz ZTMGTXOLRQMTPC-RKDXNWHRSA-N 2 1 254.290 -0.910 20 0 CBADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205953452 824390121 /nfs/dbraw/zinc/39/01/21/824390121.db2.gz ZTMGTXOLRQMTPC-RKDXNWHRSA-N 2 1 254.290 -0.910 20 0 CBADMP C[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CCC[C@@H]1C[NH3+] ZINC001206012756 824392033 /nfs/dbraw/zinc/39/20/33/824392033.db2.gz NLNAIGZITNQOOI-VXGBXAGGSA-N 2 1 294.399 -0.109 20 0 CBADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1CN1CC[C@@H](O)[C@H]([NH3+])C1 ZINC001206082106 824392215 /nfs/dbraw/zinc/39/22/15/824392215.db2.gz SVISCHTWQSYWDG-LNFKQOIKSA-N 2 1 263.332 -0.129 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001206274575 824396414 /nfs/dbraw/zinc/39/64/14/824396414.db2.gz JTOJYKUQTYDZKL-LBPRGKRZSA-N 2 1 296.415 -0.358 20 0 CBADMP CS(=O)(=O)Nc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206480639 824400772 /nfs/dbraw/zinc/40/07/72/824400772.db2.gz GOFOATLDAONOHZ-WCQYABFASA-N 2 1 299.396 -0.191 20 0 CBADMP CC(=O)N1CCC(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001206512130 824401831 /nfs/dbraw/zinc/40/18/31/824401831.db2.gz JEJNPIWJXHCQJN-STQMWFEESA-N 2 1 255.362 -0.504 20 0 CBADMP C[C@H]1CNCC(F)(F)[C@H]1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206511807 824401985 /nfs/dbraw/zinc/40/19/85/824401985.db2.gz CCNQUQABKPVGPQ-NAKRPEOUSA-N 2 1 263.332 -0.271 20 0 CBADMP Cn1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC001206633086 824404522 /nfs/dbraw/zinc/40/45/22/824404522.db2.gz SQZZUZJSPWIFEC-NSHDSACASA-N 2 1 280.372 -0.355 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001206928685 824412658 /nfs/dbraw/zinc/41/26/58/824412658.db2.gz FGKGSKXZHBIRRE-LBPRGKRZSA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001206929213 824413179 /nfs/dbraw/zinc/41/31/79/824413179.db2.gz ZOHFIRSQJIVRAT-AAEUAGOBSA-N 2 1 296.415 -0.360 20 0 CBADMP CC(=O)NCc1nnc2n1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207437428 824427780 /nfs/dbraw/zinc/42/77/80/824427780.db2.gz WUSFBWWJKDSCRP-UHFFFAOYSA-N 2 1 292.387 -0.271 20 0 CBADMP CC(=O)NCc1nnc2n1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207437428 824427782 /nfs/dbraw/zinc/42/77/82/824427782.db2.gz WUSFBWWJKDSCRP-UHFFFAOYSA-N 2 1 292.387 -0.271 20 0 CBADMP CNC(=O)CN1CCO[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001207435835 824427794 /nfs/dbraw/zinc/42/77/94/824427794.db2.gz XCYZHSVOPZOGBL-KGLIPLIRSA-N 2 1 296.415 -0.883 20 0 CBADMP CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207437115 824427846 /nfs/dbraw/zinc/42/78/46/824427846.db2.gz OWSJXSZNMLMZHH-HNNXBMFYSA-N 2 1 294.399 -0.591 20 0 CBADMP C[NH+]1CCC(CC[N@H+]2CCO[C@H](C(N)=O)C2)CC1 ZINC001207486291 824428894 /nfs/dbraw/zinc/42/88/94/824428894.db2.gz FVISDDUKWBCHAF-LBPRGKRZSA-N 2 1 255.362 -0.096 20 0 CBADMP COCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207734073 824436084 /nfs/dbraw/zinc/43/60/84/824436084.db2.gz CHQNNUAATIQTFI-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207734073 824436087 /nfs/dbraw/zinc/43/60/87/824436087.db2.gz CHQNNUAATIQTFI-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+]1CCC(C)(C[NH+]2CC(N3CCNC(=O)C3)C2)CC1 ZINC001208112903 824446466 /nfs/dbraw/zinc/44/64/66/824446466.db2.gz BUPSTGVVYVBEPX-UHFFFAOYSA-N 2 1 280.416 -0.166 20 0 CBADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001208307002 824451166 /nfs/dbraw/zinc/45/11/66/824451166.db2.gz SLXVBEBYAVCAGZ-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP COC[C@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001208307002 824451168 /nfs/dbraw/zinc/45/11/68/824451168.db2.gz SLXVBEBYAVCAGZ-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP COC[C@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001208307002 824451171 /nfs/dbraw/zinc/45/11/71/824451171.db2.gz SLXVBEBYAVCAGZ-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495913 824454536 /nfs/dbraw/zinc/45/45/36/824454536.db2.gz CJMYLCIEUSCNKO-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495965 824455362 /nfs/dbraw/zinc/45/53/62/824455362.db2.gz FDVJJURINQCWOY-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+]1CCC(C[N@H+]2CCO[C@H](C(N)=O)C2)CC1 ZINC001208597697 824456679 /nfs/dbraw/zinc/45/66/79/824456679.db2.gz KXJYVUKVVVAXHF-LBPRGKRZSA-N 2 1 255.362 -0.096 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001208992957 824461118 /nfs/dbraw/zinc/46/11/18/824461118.db2.gz FCCUDBWCQZPXNX-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC)C[C@H]1C ZINC001210528947 824479947 /nfs/dbraw/zinc/47/99/47/824479947.db2.gz OECQDNGPJLATLX-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC)C[C@H]1C ZINC001210528947 824479949 /nfs/dbraw/zinc/47/99/49/824479949.db2.gz OECQDNGPJLATLX-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1C ZINC001210528947 824479953 /nfs/dbraw/zinc/47/99/53/824479953.db2.gz OECQDNGPJLATLX-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1C ZINC001210528947 824479958 /nfs/dbraw/zinc/47/99/58/824479958.db2.gz OECQDNGPJLATLX-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001210514556 824480060 /nfs/dbraw/zinc/48/00/60/824480060.db2.gz XZNFAAWYINWBQH-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001210514556 824480062 /nfs/dbraw/zinc/48/00/62/824480062.db2.gz XZNFAAWYINWBQH-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001210514556 824480065 /nfs/dbraw/zinc/48/00/65/824480065.db2.gz XZNFAAWYINWBQH-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001210514556 824480066 /nfs/dbraw/zinc/48/00/66/824480066.db2.gz XZNFAAWYINWBQH-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728874 824514286 /nfs/dbraw/zinc/51/42/86/824514286.db2.gz XONKXLNSMBVILB-ZIAGYGMSSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863728 824516341 /nfs/dbraw/zinc/51/63/41/824516341.db2.gz QZTHLXFUJMOXAH-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCOCCO ZINC001214335663 824528365 /nfs/dbraw/zinc/52/83/65/824528365.db2.gz FMDISISHKZFSFS-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214389408 824530912 /nfs/dbraw/zinc/53/09/12/824530912.db2.gz XMOHXGYVCUMVMQ-MCIONIFRSA-N 2 1 299.415 -0.210 20 0 CBADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214389408 824530915 /nfs/dbraw/zinc/53/09/15/824530915.db2.gz XMOHXGYVCUMVMQ-MCIONIFRSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001214997926 824537773 /nfs/dbraw/zinc/53/77/73/824537773.db2.gz OLQDXFPZQVVTQA-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001215316664 824539435 /nfs/dbraw/zinc/53/94/35/824539435.db2.gz IEGVSXAUEWBFTE-XJFOESAGSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ncnn1C ZINC001215456347 824542244 /nfs/dbraw/zinc/54/22/44/824542244.db2.gz RZFTVIAEPKHNOZ-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOC)C2)C1 ZINC001216801525 824549470 /nfs/dbraw/zinc/54/94/70/824549470.db2.gz NMICJCWESKBXBR-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOC)C2)C1 ZINC001216801525 824549474 /nfs/dbraw/zinc/54/94/74/824549474.db2.gz NMICJCWESKBXBR-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP C[C@@H]1C[N@@H+](CCc2nnc([C@H]3C[NH2+]CCN3)o2)C[C@H](C)O1 ZINC001217701525 824558973 /nfs/dbraw/zinc/55/89/73/824558973.db2.gz SEBIURIWXPAPMU-GRYCIOLGSA-N 2 1 295.387 -0.045 20 0 CBADMP C[C@@H]1C[N@H+](CCc2nnc([C@H]3C[NH2+]CCN3)o2)C[C@H](C)O1 ZINC001217701525 824558977 /nfs/dbraw/zinc/55/89/77/824558977.db2.gz SEBIURIWXPAPMU-GRYCIOLGSA-N 2 1 295.387 -0.045 20 0 CBADMP CCOC(=O)c1nc[nH]c1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218559775 824591638 /nfs/dbraw/zinc/59/16/38/824591638.db2.gz PWXMFXCDFXCOLV-ZETCQYMHSA-N 2 1 269.305 -0.409 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600819 824602415 /nfs/dbraw/zinc/60/24/15/824602415.db2.gz PFNONBSRFGSGHU-HZSPNIEDSA-N 2 1 299.415 -0.115 20 0 CBADMP Nc1cn(C(=O)[C@@H](N)CSCC[NH3+])ccc1=[NH2+] ZINC001218694214 824622705 /nfs/dbraw/zinc/62/27/05/824622705.db2.gz UHTNDISUHJHPNC-VIFPVBQESA-N 2 1 255.347 -0.791 20 0 CBADMP [NH3+]Cc1cncc(NC(=O)[C@H]([NH3+])Cc2c[nH]cn2)c1 ZINC001218704366 824625860 /nfs/dbraw/zinc/62/58/60/824625860.db2.gz PMAFMLUVXMVXKT-LLVKDONJSA-N 2 1 260.301 -0.228 20 0 CBADMP [NH3+]CCC[NH2+]CC(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218711588 824627147 /nfs/dbraw/zinc/62/71/47/824627147.db2.gz LEECJKHVUORDFW-VIFPVBQESA-N 3 1 267.333 -0.024 20 0 CBADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)[C@@H]1C[NH2+]CCN1 ZINC001218743320 824632053 /nfs/dbraw/zinc/63/20/53/824632053.db2.gz PXKVVPBTMLMCNL-NSHDSACASA-N 2 1 272.312 -0.233 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](C)O)C[C@@H]21 ZINC001218918936 824647612 /nfs/dbraw/zinc/64/76/12/824647612.db2.gz KNTJAOZXUKPPDO-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]21 ZINC001218918936 824647618 /nfs/dbraw/zinc/64/76/18/824647618.db2.gz KNTJAOZXUKPPDO-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]21 ZINC001218918936 824647624 /nfs/dbraw/zinc/64/76/24/824647624.db2.gz KNTJAOZXUKPPDO-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP [NH3+]CCC[NH2+]CC(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]c2=O ZINC001218990715 824652611 /nfs/dbraw/zinc/65/26/11/824652611.db2.gz LDEJBEBUXCTISG-UHFFFAOYSA-N 2 1 291.311 -0.082 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001219119470 824665212 /nfs/dbraw/zinc/66/52/12/824665212.db2.gz ZIJYXAXXXRUYFM-FZMZJTMJSA-N 2 1 289.383 -0.276 20 0 CBADMP CC[NH+](CC)CCNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001219555593 824727050 /nfs/dbraw/zinc/72/70/50/824727050.db2.gz HTJWSCJHAVBJER-CYBMUJFWSA-N 2 1 285.436 -0.805 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)c2cnn3c2C[NH2+]CC3)C[NH2+]1 ZINC001219592030 824737727 /nfs/dbraw/zinc/73/77/27/824737727.db2.gz GKNIOYYAGUTEPW-UWVGGRQHSA-N 2 1 263.345 -0.143 20 0 CBADMP C[C@@H]([NH3+])c1ncc(C(=O)N(CC[NH3+])S(C)(=O)=O)s1 ZINC001219595837 824739694 /nfs/dbraw/zinc/73/96/94/824739694.db2.gz SCKMMDUUYVOSEF-ZCFIWIBFSA-N 2 1 292.386 -0.477 20 0 CBADMP O=C(NCc1cnc[nH]1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219606828 824853150 /nfs/dbraw/zinc/85/31/50/824853150.db2.gz UKYNDISUAAXNSD-LLVKDONJSA-N 2 1 263.345 -0.100 20 0 CBADMP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1COCC[NH2+]1 ZINC001219610089 824855035 /nfs/dbraw/zinc/85/50/35/824855035.db2.gz KWCIKXFAUMJOFV-CBAPKCEASA-N 2 1 267.251 -0.615 20 0 CBADMP C[N@H+]1CCC[C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219622215 824861170 /nfs/dbraw/zinc/86/11/70/824861170.db2.gz PYHYZHQREUTINL-GMXVVIOVSA-N 2 1 273.352 -0.493 20 0 CBADMP [NH3+]Cc1ncc(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)s1 ZINC001219624524 824864001 /nfs/dbraw/zinc/86/40/01/824864001.db2.gz MVGAKICALCPOBJ-GZMMTYOYSA-N 2 1 288.348 -0.606 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001219640608 824867552 /nfs/dbraw/zinc/86/75/52/824867552.db2.gz AUDQBSDNOMBHEQ-NWDGAFQWSA-N 3 1 268.405 -0.310 20 0 CBADMP C[C@H]1C[NH2+]C[C@H](CNC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001219640610 824867929 /nfs/dbraw/zinc/86/79/29/824867929.db2.gz AUDQBSDNOMBHEQ-VXGBXAGGSA-N 3 1 268.405 -0.310 20 0 CBADMP C[C@H]1C[NH2+]C[C@@H](CNC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001219640607 824867958 /nfs/dbraw/zinc/86/79/58/824867958.db2.gz AUDQBSDNOMBHEQ-NEPJUHHUSA-N 3 1 268.405 -0.310 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001219649181 824872856 /nfs/dbraw/zinc/87/28/56/824872856.db2.gz GGNLELFUGVKCMI-RWMBFGLXSA-N 2 1 268.405 -0.406 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH2+]C[C@@H](C)C2)C1 ZINC001219650495 824873588 /nfs/dbraw/zinc/87/35/88/824873588.db2.gz ORRVTDXWKZVNBU-AVGNSLFASA-N 2 1 297.399 -0.157 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH2+]C[C@@H](C)C2)C1 ZINC001219650495 824873597 /nfs/dbraw/zinc/87/35/97/824873597.db2.gz ORRVTDXWKZVNBU-AVGNSLFASA-N 2 1 297.399 -0.157 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@]2(C)COCC[NH2+]2)C1 ZINC001219651445 824874498 /nfs/dbraw/zinc/87/44/98/824874498.db2.gz VTEHVKGJPOUSEN-GVXVVHGQSA-N 2 1 255.362 -0.273 20 0 CBADMP C[C@H]([NH3+])c1ncc(C(=O)NCCC2(O)C[NH2+]C2)s1 ZINC001219696241 824881830 /nfs/dbraw/zinc/88/18/30/824881830.db2.gz DPKTWGFOIGOKMH-ZETCQYMHSA-N 2 1 270.358 -0.383 20 0 CBADMP [NH3+]Cc1ncc(C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)s1 ZINC001219738873 824888611 /nfs/dbraw/zinc/88/86/11/824888611.db2.gz AVNWOUSUPSKHIJ-QMMMGPOBSA-N 2 1 282.369 -0.290 20 0 CBADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219764323 824889421 /nfs/dbraw/zinc/88/94/21/824889421.db2.gz DBIFLFAUDLSCFV-VOAKCMCISA-N 2 1 284.379 -0.514 20 0 CBADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219764323 824889425 /nfs/dbraw/zinc/88/94/25/824889425.db2.gz DBIFLFAUDLSCFV-VOAKCMCISA-N 2 1 284.379 -0.514 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219768562 824891549 /nfs/dbraw/zinc/89/15/49/824891549.db2.gz NOWHGWBMKCWTFR-CABZTGNLSA-N 2 1 275.324 -0.525 20 0 CBADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1noc2c1CNCC2 ZINC001219809725 824896868 /nfs/dbraw/zinc/89/68/68/824896868.db2.gz RQGQGARKLNTZSD-NSHDSACASA-N 2 1 295.387 -0.347 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)C1CCC1 ZINC001219814037 824898058 /nfs/dbraw/zinc/89/80/58/824898058.db2.gz POYVOEJBOVAXPX-OLZOCXBDSA-N 2 1 287.379 -0.008 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001219818805 824898568 /nfs/dbraw/zinc/89/85/68/824898568.db2.gz OABZPJNMLROWBP-MQYQWHSLSA-N 2 1 274.368 -0.105 20 0 CBADMP O=C(N[C@H]1CNCc2ccsc21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219823092 824899043 /nfs/dbraw/zinc/89/90/43/824899043.db2.gz KJSGHTSKRIMRHB-QWRGUYRKSA-N 2 1 292.408 -0.182 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219829761 824899652 /nfs/dbraw/zinc/89/96/52/824899652.db2.gz DFJNOJGFCBMJFT-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219829761 824899657 /nfs/dbraw/zinc/89/96/57/824899657.db2.gz DFJNOJGFCBMJFT-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219829761 824899661 /nfs/dbraw/zinc/89/96/61/824899661.db2.gz DFJNOJGFCBMJFT-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP [NH3+]Cc1ncc(C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)s1 ZINC001219851688 824903102 /nfs/dbraw/zinc/90/31/02/824903102.db2.gz AWAQIXOETUKQQZ-LPEHRKFASA-N 2 1 296.396 -0.044 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC)C[C@@H]1O ZINC001219903210 824912055 /nfs/dbraw/zinc/91/20/55/824912055.db2.gz VLSNTXSUQFBIHS-MNOVXSKESA-N 2 1 257.378 -0.102 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC)C[C@@H]1O ZINC001219903210 824912058 /nfs/dbraw/zinc/91/20/58/824912058.db2.gz VLSNTXSUQFBIHS-MNOVXSKESA-N 2 1 257.378 -0.102 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1O ZINC001219903210 824912060 /nfs/dbraw/zinc/91/20/60/824912060.db2.gz VLSNTXSUQFBIHS-MNOVXSKESA-N 2 1 257.378 -0.102 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001219978968 824929175 /nfs/dbraw/zinc/92/91/75/824929175.db2.gz WWSYWMRMYBHSCV-VNHYZAJKSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2C[NH2+]C[C@@H]2N)C1 ZINC001219980702 824929271 /nfs/dbraw/zinc/92/92/71/824929271.db2.gz NHGAJWMLTHXIJR-WOPDTQHZSA-N 3 1 254.378 -0.619 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001219980890 824930037 /nfs/dbraw/zinc/93/00/37/824930037.db2.gz QKCLIFGQTYXLOD-ZOBORPQBSA-N 3 1 280.416 -0.216 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220022200 824936572 /nfs/dbraw/zinc/93/65/72/824936572.db2.gz BUERDJIQAJLIFY-ZDUSSCGKSA-N 3 1 292.383 -0.581 20 0 CBADMP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@@H]2COC[NH2+]2)COC1 ZINC001220020438 824936757 /nfs/dbraw/zinc/93/67/57/824936757.db2.gz IJYJCJWKQMIBFX-ZDUSSCGKSA-N 2 1 291.351 -0.311 20 0 CBADMP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001220044874 824941811 /nfs/dbraw/zinc/94/18/11/824941811.db2.gz CMDZOBQISKFRBX-JTQLQIEISA-N 2 1 260.301 -0.640 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220062227 824947208 /nfs/dbraw/zinc/94/72/08/824947208.db2.gz QUNQKTRADRBZBK-FRRDWIJNSA-N 2 1 269.389 -0.053 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220071827 824951025 /nfs/dbraw/zinc/95/10/25/824951025.db2.gz TVZRWYJMMKZCIQ-SMDDNHRTSA-N 2 1 275.356 -0.460 20 0 CBADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CCCC1 ZINC001220078539 824951545 /nfs/dbraw/zinc/95/15/45/824951545.db2.gz USSVZVRVOXAXQQ-OLZOCXBDSA-N 2 1 299.415 -0.596 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220071340 824951582 /nfs/dbraw/zinc/95/15/82/824951582.db2.gz BKVJUJYJDLPXAB-ONGXEEELSA-N 2 1 250.302 -0.689 20 0 CBADMP N=C(NC(=O)C[NH2+]C1CC[NH2+]CC1)SCC[NH3+] ZINC001220106307 824957013 /nfs/dbraw/zinc/95/70/13/824957013.db2.gz IMGJELYKYYPWEB-UHFFFAOYSA-N 3 1 259.379 -0.929 20 0 CBADMP N=C(NC(=O)C[NH2+]C1CC[NH2+]CC1)c1nccs1 ZINC001220154734 824970729 /nfs/dbraw/zinc/97/07/29/824970729.db2.gz YETRVBSHDMLKMS-UHFFFAOYSA-N 2 1 267.358 -0.074 20 0 CBADMP C[C@H]([NH3+])c1ncc(C(=O)NC2(C[NH3+])COC2)s1 ZINC001220157123 824972492 /nfs/dbraw/zinc/97/24/92/824972492.db2.gz XHUJYQXAROZBMP-LURJTMIESA-N 2 1 256.331 -0.380 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163034 824974882 /nfs/dbraw/zinc/97/48/82/824974882.db2.gz OEUKAQCJROGMAW-MDZLAQPJSA-N 3 1 254.378 -0.299 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220159411 824974900 /nfs/dbraw/zinc/97/49/00/824974900.db2.gz OHZBQYBWQLWESH-LBPRGKRZSA-N 3 1 254.378 -0.478 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC1(c2cccnn2)CC1 ZINC001220210250 824987898 /nfs/dbraw/zinc/98/78/98/824987898.db2.gz WIYKIWZAYYAKNB-UHFFFAOYSA-N 2 1 275.356 -0.077 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220251801 824996181 /nfs/dbraw/zinc/99/61/81/824996181.db2.gz FYTNKMJKHXIOCQ-CHWSQXEVSA-N 3 1 268.405 -0.086 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220252266 824996237 /nfs/dbraw/zinc/99/62/37/824996237.db2.gz UDWCYASKTATQHN-BZPMIXESSA-N 2 1 266.389 -0.462 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NCC[C@@H]1CCC[N@@H+]1C ZINC001220252132 824996472 /nfs/dbraw/zinc/99/64/72/824996472.db2.gz OUUQAFKUZOKBHI-QWRGUYRKSA-N 2 1 271.361 -0.133 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001220252132 824996476 /nfs/dbraw/zinc/99/64/76/824996476.db2.gz OUUQAFKUZOKBHI-QWRGUYRKSA-N 2 1 271.361 -0.133 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220252024 824996993 /nfs/dbraw/zinc/99/69/93/824996993.db2.gz LUJJLOLOERRUMP-RYUDHWBXSA-N 3 1 266.389 -0.604 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220252268 824997089 /nfs/dbraw/zinc/99/70/89/824997089.db2.gz UDWCYASKTATQHN-SCRDCRAPSA-N 2 1 266.389 -0.462 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@@H]1CCc2n[nH]cc2C1 ZINC001220260690 824997244 /nfs/dbraw/zinc/99/72/44/824997244.db2.gz DJYWEIQHTYXUOC-GFCCVEGCSA-N 2 1 277.372 -0.275 20 0 CBADMP [NH3+]CCN(C(=O)[C@@H]([NH3+])Cc1c[nH]cn1)c1cccnc1 ZINC001220261094 824997536 /nfs/dbraw/zinc/99/75/36/824997536.db2.gz QLWUZANTIVOTQN-LBPRGKRZSA-N 2 1 274.328 -0.334 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220254780 824997731 /nfs/dbraw/zinc/99/77/31/824997731.db2.gz XCADZZGCSDDFKE-QWRGUYRKSA-N 3 1 274.434 -0.394 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001220277143 825002968 /nfs/dbraw/zinc/00/29/68/825002968.db2.gz SBJVWQCHIQPGCN-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)OC ZINC001220276497 825003615 /nfs/dbraw/zinc/00/36/15/825003615.db2.gz COYHRSFTUSQZRA-XQQFMLRXSA-N 2 1 287.404 -0.476 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001220277147 825003893 /nfs/dbraw/zinc/00/38/93/825003893.db2.gz SHXIGJUMKYYDFK-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220290080 825007987 /nfs/dbraw/zinc/00/79/87/825007987.db2.gz MNKHOPYQMGRXTO-FRRDWIJNSA-N 2 1 287.404 -0.620 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)CNC2CC[NH2+]CC2)CC1 ZINC001220304221 825009704 /nfs/dbraw/zinc/00/97/04/825009704.db2.gz USYCWFBMZMIBLV-UHFFFAOYSA-N 2 1 297.447 -0.918 20 0 CBADMP C[N@@H+]1CCCN(CCNC(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001220304221 825009716 /nfs/dbraw/zinc/00/97/16/825009716.db2.gz USYCWFBMZMIBLV-UHFFFAOYSA-N 3 1 297.447 -0.918 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001220304221 825009723 /nfs/dbraw/zinc/00/97/23/825009723.db2.gz USYCWFBMZMIBLV-UHFFFAOYSA-N 3 1 297.447 -0.918 20 0 CBADMP O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1COCC[NH2+]1 ZINC001220319684 825013351 /nfs/dbraw/zinc/01/33/51/825013351.db2.gz IIKSXKSAVCNYMX-NTZNESFSSA-N 2 1 269.345 -0.998 20 0 CBADMP Cn1cc(Br)c(CNC(=O)[C@@H]([NH3+])CC[NH3+])n1 ZINC001220335343 825017010 /nfs/dbraw/zinc/01/70/10/825017010.db2.gz LJXCHTCRMZJHGK-ZETCQYMHSA-N 2 1 290.165 -0.525 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355395 825019394 /nfs/dbraw/zinc/01/93/94/825019394.db2.gz OFJCDCZMBZYBND-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355395 825019402 /nfs/dbraw/zinc/01/94/02/825019402.db2.gz OFJCDCZMBZYBND-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355395 825019403 /nfs/dbraw/zinc/01/94/03/825019403.db2.gz OFJCDCZMBZYBND-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCC(C)(C)NC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220386461 825026499 /nfs/dbraw/zinc/02/64/99/825026499.db2.gz UZHURKAWABZYCX-ZDUSSCGKSA-N 2 1 299.463 -0.417 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394999 825028496 /nfs/dbraw/zinc/02/84/96/825028496.db2.gz RCBPEVJEKILMGA-NSHDSACASA-N 2 1 283.372 -0.131 20 0 CBADMP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1ccc2[nH]nnc2c1 ZINC001220424804 825035966 /nfs/dbraw/zinc/03/59/66/825035966.db2.gz VBVUHZQRQAZYTR-VIFPVBQESA-N 2 1 262.317 -0.360 20 0 CBADMP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1ccc2nn[nH]c2c1 ZINC001220424804 825035975 /nfs/dbraw/zinc/03/59/75/825035975.db2.gz VBVUHZQRQAZYTR-VIFPVBQESA-N 2 1 262.317 -0.360 20 0 CBADMP O=C(NC1CC[NH+](CCF)CC1)[C@@H]1C[NH2+]CCN1 ZINC001220435157 825038819 /nfs/dbraw/zinc/03/88/19/825038819.db2.gz AJQVYJZTVSXFJG-NSHDSACASA-N 2 1 258.341 -0.902 20 0 CBADMP N[C@]1(C(=O)NC2CC[NH+](CCF)CC2)CC[NH2+]C1 ZINC001220436347 825039957 /nfs/dbraw/zinc/03/99/57/825039957.db2.gz TWAGDJWDLTVIBX-GFCCVEGCSA-N 2 1 258.341 -0.773 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NCC1([NH3+])CCCC1 ZINC001220494611 825050684 /nfs/dbraw/zinc/05/06/84/825050684.db2.gz PISNCBSIJNIJKK-SNVBAGLBSA-N 2 1 251.334 -0.333 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220553729 825060149 /nfs/dbraw/zinc/06/01/49/825060149.db2.gz QLXDHMGUZKRXFM-KGLIPLIRSA-N 2 1 297.399 -0.720 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001220553729 825060157 /nfs/dbraw/zinc/06/01/57/825060157.db2.gz QLXDHMGUZKRXFM-KGLIPLIRSA-N 2 1 297.399 -0.720 20 0 CBADMP N=C(NC(=O)[C@@H]([NH3+])CC[NH3+])c1cccnc1Cl ZINC001220661336 825082083 /nfs/dbraw/zinc/08/20/83/825082083.db2.gz XYUQFLOZFMUSJA-ZETCQYMHSA-N 2 1 255.709 -0.147 20 0 CBADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764279 825099123 /nfs/dbraw/zinc/09/91/23/825099123.db2.gz FQIYBJQMNYDVEK-KGLIPLIRSA-N 2 1 299.415 -0.308 20 0 CBADMP O=C(NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1COC[NH2+]1 ZINC001220785935 825100923 /nfs/dbraw/zinc/10/09/23/825100923.db2.gz HAXZDAZZHGDRLI-FRRDWIJNSA-N 2 1 276.340 -0.206 20 0 CBADMP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1COC[NH2+]1 ZINC001220785934 825101118 /nfs/dbraw/zinc/10/11/18/825101118.db2.gz HAXZDAZZHGDRLI-AVGNSLFASA-N 2 1 276.340 -0.206 20 0 CBADMP [NH3+][C@@]12CC[C@@](NC(=O)C[N@@H+]3CC[C@@H](O)C3)(C1)CCC2 ZINC001220779725 825101421 /nfs/dbraw/zinc/10/14/21/825101421.db2.gz YIHYUEHVBWMDCU-KWCYVHTRSA-N 2 1 267.373 -0.027 20 0 CBADMP [NH3+][C@@]12CC[C@@](NC(=O)C[N@H+]3CC[C@@H](O)C3)(C1)CCC2 ZINC001220779725 825101424 /nfs/dbraw/zinc/10/14/24/825101424.db2.gz YIHYUEHVBWMDCU-KWCYVHTRSA-N 2 1 267.373 -0.027 20 0 CBADMP [NH3+]CCCNCC(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220791086 825102771 /nfs/dbraw/zinc/10/27/71/825102771.db2.gz WTQNMOOSVXHCNT-UKRRQHHQSA-N 2 1 291.399 -0.213 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@@H]1COC[NH2+]1 ZINC001220799578 825103422 /nfs/dbraw/zinc/10/34/22/825103422.db2.gz CVIREEGSIWBTJK-PRJMDXOYSA-N 2 1 267.251 -0.411 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C1 ZINC001220806043 825104156 /nfs/dbraw/zinc/10/41/56/825104156.db2.gz XEXRLXJMJRDRRX-JBDRJPRFSA-N 2 1 280.294 -0.668 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220802255 825104161 /nfs/dbraw/zinc/10/41/61/825104161.db2.gz UJQPRFIGSIIPPA-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220816942 825105791 /nfs/dbraw/zinc/10/57/91/825105791.db2.gz IHMAZKWOOMEXQE-OLZOCXBDSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CCF)C[C@@H]1O ZINC001220829529 825108310 /nfs/dbraw/zinc/10/83/10/825108310.db2.gz WEYUKTZSWRAFCR-MNOVXSKESA-N 2 1 261.341 -0.541 20 0 CBADMP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001220857794 825113409 /nfs/dbraw/zinc/11/34/09/825113409.db2.gz RYMYIXJRRSNEHN-ZJUUUORDSA-N 2 1 253.350 -0.231 20 0 CBADMP O=C(N[C@H]1CC[N@H+](Cc2cccnc2)C1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220914821 825123604 /nfs/dbraw/zinc/12/36/04/825123604.db2.gz BMVZWOOJJMTZCJ-MJBXVCDLSA-N 2 1 290.367 -0.648 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](Cc2cccnc2)C1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220914821 825123608 /nfs/dbraw/zinc/12/36/08/825123608.db2.gz BMVZWOOJJMTZCJ-MJBXVCDLSA-N 2 1 290.367 -0.648 20 0 CBADMP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001220914879 825124275 /nfs/dbraw/zinc/12/42/75/825124275.db2.gz DKYXNNXCYPQHKT-IHRRRGAJSA-N 2 1 289.383 -0.681 20 0 CBADMP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001220914879 825124279 /nfs/dbraw/zinc/12/42/79/825124279.db2.gz DKYXNNXCYPQHKT-IHRRRGAJSA-N 2 1 289.383 -0.681 20 0 CBADMP NC[C@H]([NH3+])c1ccc(C(=O)NCCO[C@@H]2CC[NH2+]C2)cc1 ZINC001220939826 825127922 /nfs/dbraw/zinc/12/79/22/825127922.db2.gz XNRRWBYINGBTNM-KGLIPLIRSA-N 2 1 292.383 -0.247 20 0 CBADMP COc1ccc(CNC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)nc1OC ZINC001220955294 825128730 /nfs/dbraw/zinc/12/87/30/825128730.db2.gz HSEIPBUJEHHCQU-SCZZXKLOSA-N 2 1 280.328 -0.596 20 0 CBADMP O=C(CN1CC[NH2+]CC1)NCc1[nH+]cn2ccccc12 ZINC001221008525 825135904 /nfs/dbraw/zinc/13/59/04/825135904.db2.gz VUJWKSJJZKXHGW-UHFFFAOYSA-N 2 1 273.340 -0.144 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073084 825142248 /nfs/dbraw/zinc/14/22/48/825142248.db2.gz FSJOJYAYIBUNMF-MCIONIFRSA-N 2 1 299.415 -0.596 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O ZINC001221093545 825144043 /nfs/dbraw/zinc/14/40/43/825144043.db2.gz PVULCFHTXKGPGU-NEPJUHHUSA-N 2 1 275.368 -0.153 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001221093545 825144045 /nfs/dbraw/zinc/14/40/45/825144045.db2.gz PVULCFHTXKGPGU-NEPJUHHUSA-N 2 1 275.368 -0.153 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001221093545 825144046 /nfs/dbraw/zinc/14/40/46/825144046.db2.gz PVULCFHTXKGPGU-NEPJUHHUSA-N 2 1 275.368 -0.153 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221083439 825144077 /nfs/dbraw/zinc/14/40/77/825144077.db2.gz LOGLQDNBJCPPFM-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221083439 825144079 /nfs/dbraw/zinc/14/40/79/825144079.db2.gz LOGLQDNBJCPPFM-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221083439 825144081 /nfs/dbraw/zinc/14/40/81/825144081.db2.gz LOGLQDNBJCPPFM-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCc1ccnn1CCF ZINC001221106464 825145006 /nfs/dbraw/zinc/14/50/06/825145006.db2.gz ZZEQDWALTCNORQ-UHFFFAOYSA-N 2 1 283.351 -0.190 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114249 825145256 /nfs/dbraw/zinc/14/52/56/825145256.db2.gz SIOKXSNGGONBMN-LBPRGKRZSA-N 3 1 291.399 -0.505 20 0 CBADMP COCCC1([NH3+])CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC001221133910 825146694 /nfs/dbraw/zinc/14/66/94/825146694.db2.gz BMDHAYRYNVCMJY-NSHDSACASA-N 2 1 271.361 -0.669 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCC1(c2ccncc2)CCOCC1 ZINC001221174454 825150609 /nfs/dbraw/zinc/15/06/09/825150609.db2.gz CSJUACVKYBPTLJ-ZDUSSCGKSA-N 2 1 292.383 -0.078 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001221240848 825157797 /nfs/dbraw/zinc/15/77/97/825157797.db2.gz FRNCQKQIRCTLDG-MFKMUULPSA-N 2 1 285.392 -0.637 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001221241112 825158046 /nfs/dbraw/zinc/15/80/46/825158046.db2.gz OGIPMIOMROYORU-SWLSCSKDSA-N 2 1 296.415 -0.073 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@@H]1CCOC[C@@H]1F ZINC001221243381 825160466 /nfs/dbraw/zinc/16/04/66/825160466.db2.gz IEFILXRWMQXJBP-WDEREUQCSA-N 2 1 259.325 -0.429 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001221243218 825160735 /nfs/dbraw/zinc/16/07/35/825160735.db2.gz GSCYXKQRJXXHEF-SMDDNHRTSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221254885 825161645 /nfs/dbraw/zinc/16/16/45/825161645.db2.gz YQUAVAINTHZHHO-RYUDHWBXSA-N 3 1 256.394 -0.229 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCCNC(=O)c1cccs1 ZINC001221309805 825169558 /nfs/dbraw/zinc/16/95/58/825169558.db2.gz WECPYMLZAYHPDW-QMMMGPOBSA-N 2 1 270.358 -0.730 20 0 CBADMP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H](O)C[NH3+] ZINC001221357676 825175824 /nfs/dbraw/zinc/17/58/24/825175824.db2.gz QHRRGVDBJQEUES-VXGBXAGGSA-N 2 1 287.404 -0.441 20 0 CBADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H](O)C[NH3+] ZINC001221357673 825175953 /nfs/dbraw/zinc/17/59/53/825175953.db2.gz QHRRGVDBJQEUES-NEPJUHHUSA-N 2 1 287.404 -0.441 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001221391506 825180585 /nfs/dbraw/zinc/18/05/85/825180585.db2.gz XJRXSJDCHJIFAA-NSHDSACASA-N 4 1 286.424 -0.493 20 0 CBADMP NC1=CC=C(C2CCN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)CC2)[NH2+]C1 ZINC001221391707 825180655 /nfs/dbraw/zinc/18/06/55/825180655.db2.gz FUGXRXXZYWZAQF-OCCSQVGLSA-N 2 1 291.399 -0.756 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2N)[C@H](C)C1 ZINC001221409529 825186158 /nfs/dbraw/zinc/18/61/58/825186158.db2.gz OSQYEBRINRIXBZ-VOAKCMCISA-N 2 1 268.405 -0.232 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791233 825194761 /nfs/dbraw/zinc/19/47/61/825194761.db2.gz CAEULVABHQXKSQ-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791233 825194766 /nfs/dbraw/zinc/19/47/66/825194766.db2.gz CAEULVABHQXKSQ-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP C([C@@H]1CNCCO1)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222086234 825199791 /nfs/dbraw/zinc/19/97/91/825199791.db2.gz UMQKREDDIRQJPT-LBPRGKRZSA-N 2 1 254.378 -0.998 20 0 CBADMP C([C@@H]1C[NH2+]CCO1)N1CCNC2(CC[NH2+]CC2)C1 ZINC001222086234 825199793 /nfs/dbraw/zinc/19/97/93/825199793.db2.gz UMQKREDDIRQJPT-LBPRGKRZSA-N 2 1 254.378 -0.998 20 0 CBADMP O=C1CC[C@@H](C[N@H+]2CCNC3(CC[NH2+]CC3)C2)N1 ZINC001222085934 825199882 /nfs/dbraw/zinc/19/98/82/825199882.db2.gz PNQAKMRHIMLHND-NSHDSACASA-N 2 1 252.362 -0.708 20 0 CBADMP Nc1ncc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cn1 ZINC001222091307 825200983 /nfs/dbraw/zinc/20/09/83/825200983.db2.gz PVXBHSPVERGRRM-UHFFFAOYSA-N 2 1 262.361 -0.414 20 0 CBADMP Cn1c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cccc1=O ZINC001222514784 825214991 /nfs/dbraw/zinc/21/49/91/825214991.db2.gz FCWAGDGCKAXJTH-KBPBESRZSA-N 2 1 276.384 -0.089 20 0 CBADMP Cc1nonc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222515498 825215031 /nfs/dbraw/zinc/21/50/31/825215031.db2.gz SWDPQHHAFFMKSY-JQWIXIFHSA-N 2 1 251.334 -0.096 20 0 CBADMP CC[N@@H+]1CC[C@H](OCC(=O)N2CC[NH+](C)CC2)C1 ZINC001222536684 825215091 /nfs/dbraw/zinc/21/50/91/825215091.db2.gz CNIMESCKJDATDC-LBPRGKRZSA-N 2 1 255.362 -0.129 20 0 CBADMP CC[N@H+]1CC[C@H](OCC(=O)N2CC[NH+](C)CC2)C1 ZINC001222536684 825215099 /nfs/dbraw/zinc/21/50/99/825215099.db2.gz CNIMESCKJDATDC-LBPRGKRZSA-N 2 1 255.362 -0.129 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@H]4C[NH2+]CC[C@H]43)[C@@H](O)[C@@H]2O1 ZINC001222615338 825218858 /nfs/dbraw/zinc/21/88/58/825218858.db2.gz NZFOKHUVVNNSLS-IIEFLBBWSA-N 2 1 298.383 -0.093 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)[C@@H](O)[C@@H]2O1 ZINC001222615338 825218864 /nfs/dbraw/zinc/21/88/64/825218864.db2.gz NZFOKHUVVNNSLS-IIEFLBBWSA-N 2 1 298.383 -0.093 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001225577839 825259464 /nfs/dbraw/zinc/25/94/64/825259464.db2.gz LDQYTVCLMRFLRL-UHFFFAOYSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH+](C)CCCCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001230090942 825341570 /nfs/dbraw/zinc/34/15/70/825341570.db2.gz RAFNKCMOWJZPHA-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP CN(C[C@H]1CC[N@@H+]1CCOCCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001231217924 825397694 /nfs/dbraw/zinc/39/76/94/825397694.db2.gz SURFFJPHVNNMRH-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001231217924 825397702 /nfs/dbraw/zinc/39/77/02/825397702.db2.gz SURFFJPHVNNMRH-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCOCCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001231217924 825397712 /nfs/dbraw/zinc/39/77/12/825397712.db2.gz SURFFJPHVNNMRH-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCOCCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001231217924 825397724 /nfs/dbraw/zinc/39/77/24/825397724.db2.gz SURFFJPHVNNMRH-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cn(C)c(=O)n(C)c3=O)C[C@@H]2C1 ZINC001231770940 825415534 /nfs/dbraw/zinc/41/55/34/825415534.db2.gz ARCOSTATYBPFMY-TXEJJXNPSA-N 2 1 292.383 -0.533 20 0 CBADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cn(C)c(=O)n(C)c3=O)C[C@@H]2C1 ZINC001231770940 825415538 /nfs/dbraw/zinc/41/55/38/825415538.db2.gz ARCOSTATYBPFMY-TXEJJXNPSA-N 2 1 292.383 -0.533 20 0 CBADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cn(C)c(=O)n(C)c3=O)C[C@@H]2C1 ZINC001231770940 825415539 /nfs/dbraw/zinc/41/55/39/825415539.db2.gz ARCOSTATYBPFMY-TXEJJXNPSA-N 2 1 292.383 -0.533 20 0 CBADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cn(C)c(=O)n(C)c3=O)C[C@@H]2C1 ZINC001231770940 825415543 /nfs/dbraw/zinc/41/55/43/825415543.db2.gz ARCOSTATYBPFMY-TXEJJXNPSA-N 2 1 292.383 -0.533 20 0 CBADMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)C[C@H](O)CO ZINC001232366259 825419482 /nfs/dbraw/zinc/41/94/82/825419482.db2.gz YEZWOSNBCJLIPY-AWEZNQCLSA-N 2 1 294.399 -0.382 20 0 CBADMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)C[C@@H](O)CO ZINC001232366260 825419666 /nfs/dbraw/zinc/41/96/66/825419666.db2.gz YEZWOSNBCJLIPY-CQSZACIVSA-N 2 1 294.399 -0.382 20 0 CBADMP O=c1[nH]cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(=O)[nH]1 ZINC001234989748 825479699 /nfs/dbraw/zinc/47/96/99/825479699.db2.gz QZOGMHNALAGXQK-GFCCVEGCSA-N 2 1 265.317 -0.975 20 0 CBADMP Cc1[nH]c(=O)[nH]c(=O)c1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234983190 825479764 /nfs/dbraw/zinc/47/97/64/825479764.db2.gz UEFDWQXUIWOTAZ-ZDUSSCGKSA-N 2 1 279.344 -0.666 20 0 CBADMP N[C@@H]1NC(CN2CC[NH2+]C[C@]23CC[NH2+]C3)=CS1 ZINC001234982014 825479796 /nfs/dbraw/zinc/47/97/96/825479796.db2.gz QXTWPZSIQCVPLG-GHMZBOCLSA-N 2 1 255.391 -0.956 20 0 CBADMP c1c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)nc2n1CCNC2 ZINC001234979365 825480532 /nfs/dbraw/zinc/48/05/32/825480532.db2.gz CRSJGQCIUUAIBA-CQSZACIVSA-N 2 1 276.388 -0.876 20 0 CBADMP OCc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)o1 ZINC001234988107 825480650 /nfs/dbraw/zinc/48/06/50/825480650.db2.gz QEINFULWEPRMOA-CYBMUJFWSA-N 2 1 251.330 -0.091 20 0 CBADMP CC1(C)OC[C@H](CN2CC[NH2+]C[C@@]23CC[NH2+]C3)O1 ZINC001234981622 825480797 /nfs/dbraw/zinc/48/07/97/825480797.db2.gz PAUOIPJPGXXPKU-AAEUAGOBSA-N 2 1 255.362 -0.225 20 0 CBADMP COC(=O)c1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)[nH]1 ZINC001234987937 825481059 /nfs/dbraw/zinc/48/10/59/825481059.db2.gz JLILINUTWXJBPH-CQSZACIVSA-N 2 1 278.356 -0.061 20 0 CBADMP c1nc2n(c1CN1CC[NH2+]C[C@@]13CC[NH2+]C3)CCNC2 ZINC001234992687 825482576 /nfs/dbraw/zinc/48/25/76/825482576.db2.gz KQEQRFGDEXJWPU-AWEZNQCLSA-N 2 1 276.388 -0.876 20 0 CBADMP Nc1ncnc(Cl)c1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234991112 825482747 /nfs/dbraw/zinc/48/27/47/825482747.db2.gz VXKNXKBFRVMPLK-GFCCVEGCSA-N 2 1 282.779 -0.151 20 0 CBADMP COC(=O)c1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)nn1C ZINC001234992720 825482804 /nfs/dbraw/zinc/48/28/04/825482804.db2.gz SNNFUVJPJUKJPP-CQSZACIVSA-N 2 1 293.371 -0.656 20 0 CBADMP C(C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1)[C@@H]1C[NH2+]CCO1 ZINC001235054199 825485360 /nfs/dbraw/zinc/48/53/60/825485360.db2.gz VEGOULSFCXMUOO-OLZOCXBDSA-N 3 1 254.378 -0.998 20 0 CBADMP C(C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1)[C@@H]1C[NH2+]CCO1 ZINC001235054199 825485364 /nfs/dbraw/zinc/48/53/64/825485364.db2.gz VEGOULSFCXMUOO-OLZOCXBDSA-N 3 1 254.378 -0.998 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235186765 825488679 /nfs/dbraw/zinc/48/86/79/825488679.db2.gz KUYGNVKKIXTYMU-XNJGVTPASA-N 2 1 298.383 -0.235 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235186765 825488685 /nfs/dbraw/zinc/48/86/85/825488685.db2.gz KUYGNVKKIXTYMU-XNJGVTPASA-N 2 1 298.383 -0.235 20 0 CBADMP OCCCCC[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235870077 825516293 /nfs/dbraw/zinc/51/62/93/825516293.db2.gz NHYNRDXCJMDJFK-UHFFFAOYSA-N 2 1 258.410 -0.767 20 0 CBADMP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235356238 825493921 /nfs/dbraw/zinc/49/39/21/825493921.db2.gz VVZKHTIUONGEQL-QWHCGFSZSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235356238 825493927 /nfs/dbraw/zinc/49/39/27/825493927.db2.gz VVZKHTIUONGEQL-QWHCGFSZSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C[C@H]1CCN1CCO)C(=O)C[N@@H+](C)C1CCC1 ZINC001235390624 825494108 /nfs/dbraw/zinc/49/41/08/825494108.db2.gz ANWQHZIGLPHSTR-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCO)C(=O)C[NH+](C)C1CCC1 ZINC001235390624 825494120 /nfs/dbraw/zinc/49/41/20/825494120.db2.gz ANWQHZIGLPHSTR-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001235390624 825494124 /nfs/dbraw/zinc/49/41/24/825494124.db2.gz ANWQHZIGLPHSTR-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCO)C(=O)C[N@@H+](C)C1CCC1 ZINC001235390624 825494126 /nfs/dbraw/zinc/49/41/26/825494126.db2.gz ANWQHZIGLPHSTR-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@H+](CCC[NH3+])C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235435234 825497111 /nfs/dbraw/zinc/49/71/11/825497111.db2.gz DLNRMDDYSDAREW-VLEAKVRGSA-N 2 1 260.334 -0.496 20 0 CBADMP C[N@@H+](CCC[NH3+])C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235435234 825497117 /nfs/dbraw/zinc/49/71/17/825497117.db2.gz DLNRMDDYSDAREW-VLEAKVRGSA-N 2 1 260.334 -0.496 20 0 CBADMP Cn1cc(C[C@H]2[C@H]([NH+]3CCOCC3)CCN2CC[NH3+])cn1 ZINC001235494732 825498395 /nfs/dbraw/zinc/49/83/95/825498395.db2.gz NIMAENCZQXNGOA-CABCVRRESA-N 2 1 293.415 -0.304 20 0 CBADMP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](CCCC[NH3+])C2 ZINC001235517773 825499434 /nfs/dbraw/zinc/49/94/34/825499434.db2.gz GUJNATISOUKMLE-DGCLKSJQSA-N 2 1 255.362 -0.048 20 0 CBADMP [NH3+]CCN1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001235516488 825499608 /nfs/dbraw/zinc/49/96/08/825499608.db2.gz JKZHEGWLQYFQFO-NWDGAFQWSA-N 2 1 263.345 -0.427 20 0 CBADMP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC001235542319 825501527 /nfs/dbraw/zinc/50/15/27/825501527.db2.gz QFSNHFRWUOHQNY-BZPMIXESSA-N 2 1 285.388 -0.613 20 0 CBADMP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC001235542319 825501530 /nfs/dbraw/zinc/50/15/30/825501530.db2.gz QFSNHFRWUOHQNY-BZPMIXESSA-N 2 1 285.388 -0.613 20 0 CBADMP C[C@@H]([NH3+])CN1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001235546776 825502466 /nfs/dbraw/zinc/50/24/66/825502466.db2.gz MKRJRXMMOUSMNB-MGPQQGTHSA-N 2 1 298.431 -0.556 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](CCCO)CC[C@@H]2C1 ZINC001235548120 825502482 /nfs/dbraw/zinc/50/24/82/825502482.db2.gz VJOUYJCIEJVNJR-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](CCCO)CC[C@@H]2C1 ZINC001235548120 825502485 /nfs/dbraw/zinc/50/24/85/825502485.db2.gz VJOUYJCIEJVNJR-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001235548120 825502488 /nfs/dbraw/zinc/50/24/88/825502488.db2.gz VJOUYJCIEJVNJR-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001235548120 825502490 /nfs/dbraw/zinc/50/24/90/825502490.db2.gz VJOUYJCIEJVNJR-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP CSCCC[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235864923 825515217 /nfs/dbraw/zinc/51/52/17/825515217.db2.gz KVNMISFRSDHANS-UHFFFAOYSA-N 2 1 260.451 -0.176 20 0 CBADMP CCC1(C[NH+]2CCNCC[NH2+]CCNCC2)COC1 ZINC001235864078 825515935 /nfs/dbraw/zinc/51/59/35/825515935.db2.gz BSYGYWVNKHWLRZ-UHFFFAOYSA-N 2 1 270.421 -0.503 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](CCCC[NH3+])CCC1=O ZINC001235962911 825518225 /nfs/dbraw/zinc/51/82/25/825518225.db2.gz QNCJUFWVXXIPNM-UHFFFAOYSA-N 3 1 256.394 -0.179 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C2 ZINC001236023525 825519801 /nfs/dbraw/zinc/51/98/01/825519801.db2.gz PBWTWAVNHRKROJ-ZAZJYDDPSA-N 2 1 295.383 -0.595 20 0 CBADMP CC1(C)NC[C@@H](C[N@@H+]2CCC[C@H](N3CC([NH3+])C3)C2)O1 ZINC001236073420 825522321 /nfs/dbraw/zinc/52/23/21/825522321.db2.gz MYLASWTUYBOVKF-STQMWFEESA-N 2 1 268.405 -0.182 20 0 CBADMP CC1(C)NC[C@@H](C[N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)O1 ZINC001236073420 825522323 /nfs/dbraw/zinc/52/23/23/825522323.db2.gz MYLASWTUYBOVKF-STQMWFEESA-N 2 1 268.405 -0.182 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cn2c(n1)C[NH2+]CC2 ZINC001236198013 825524316 /nfs/dbraw/zinc/52/43/16/825524316.db2.gz UPUSHDSXFSUGNV-KOLCDFICSA-N 2 1 279.344 -0.939 20 0 CBADMP [NH3+]CCCCC[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310222 825527069 /nfs/dbraw/zinc/52/70/69/825527069.db2.gz VSLDDHOSDCODGK-UHFFFAOYSA-N 4 1 273.425 -0.769 20 0 CBADMP [NH3+]CCCCC[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310222 825527071 /nfs/dbraw/zinc/52/70/71/825527071.db2.gz VSLDDHOSDCODGK-UHFFFAOYSA-N 4 1 273.425 -0.769 20 0 CBADMP CC1(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC[NH2+]CC1 ZINC001236307641 825527175 /nfs/dbraw/zinc/52/71/75/825527175.db2.gz CVKGXNIAMPUDFG-UHFFFAOYSA-N 4 1 299.463 -0.508 20 0 CBADMP CC1(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC[NH2+]CC1 ZINC001236307641 825527179 /nfs/dbraw/zinc/52/71/79/825527179.db2.gz CVKGXNIAMPUDFG-UHFFFAOYSA-N 4 1 299.463 -0.508 20 0 CBADMP COC(=O)[C@@H]1CN(Cc2c[nH+]c(C)n2C)C[C@H]1[NH3+] ZINC001236344091 825527862 /nfs/dbraw/zinc/52/78/62/825527862.db2.gz MWTQJZQVCZFACD-GHMZBOCLSA-N 2 1 252.318 -0.339 20 0 CBADMP COC(=O)[C@@H]1CN(C[C@H]2CCC[N@@H+](C)C2)C[C@H]1[NH3+] ZINC001236345824 825528057 /nfs/dbraw/zinc/52/80/57/825528057.db2.gz VBQYUYONAQIRTB-QJPTWQEYSA-N 2 1 255.362 -0.240 20 0 CBADMP COC(=O)[C@H]1CN(CC(C)(C)[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC001236344570 825528299 /nfs/dbraw/zinc/52/82/99/825528299.db2.gz RLPORHOMIBWCDF-NWDGAFQWSA-N 2 1 285.388 -0.471 20 0 CBADMP COC(=O)[C@@H]1CN(C[C@H]2CCC[N@@H+](C)C2)C[C@@H]1[NH3+] ZINC001236345825 825528539 /nfs/dbraw/zinc/52/85/39/825528539.db2.gz VBQYUYONAQIRTB-TUAOUCFPSA-N 2 1 255.362 -0.240 20 0 CBADMP CC[C@@H]([NH3+])CNC(=S)NCCC[NH+]1CCOCC1 ZINC001239381372 825601231 /nfs/dbraw/zinc/60/12/31/825601231.db2.gz WBAAKOCHRKKUJE-LLVKDONJSA-N 2 1 274.434 -0.090 20 0 CBADMP O[C@H](C[NH2+][C@@H]1CCNC[C@H]1F)CC1(O)CC[NH2+]CC1 ZINC001245973968 825616901 /nfs/dbraw/zinc/61/69/01/825616901.db2.gz LUEBLPSZMYWXAK-QJPTWQEYSA-N 2 1 275.368 -0.859 20 0 CBADMP COC[C@@H](O)CNC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245987393 825617916 /nfs/dbraw/zinc/61/79/16/825617916.db2.gz RUIKOGCVQFSLHB-RYUDHWBXSA-N 2 1 257.378 -0.543 20 0 CBADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1C[NH2+]CCC1=O ZINC001245996045 825619317 /nfs/dbraw/zinc/61/93/17/825619317.db2.gz PVIKTLZEVDZSNO-KCQAQPDRSA-N 2 1 277.368 -0.562 20 0 CBADMP CCOC(=O)[C@H](N)C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246008163 825621095 /nfs/dbraw/zinc/62/10/95/825621095.db2.gz ORNXQZCRZHSGIZ-BFHYXJOUSA-N 2 1 295.383 -0.603 20 0 CBADMP [NH3+][C@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC001246018971 825622001 /nfs/dbraw/zinc/62/20/01/825622001.db2.gz ZYFZUFLXSRCNFP-STQMWFEESA-N 2 1 257.378 -0.507 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCC[C@H]1C[NH3+] ZINC001246024187 825624113 /nfs/dbraw/zinc/62/41/13/825624113.db2.gz QVSOKAQNDXXIAA-QLFBSQMISA-N 2 1 285.432 -0.014 20 0 CBADMP CCCOC[C@@H](O)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246023068 825624550 /nfs/dbraw/zinc/62/45/50/825624550.db2.gz LHLGTMBTSHTUGA-IHRRRGAJSA-N 2 1 271.405 -0.200 20 0 CBADMP CCCOC[C@@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246023068 825624552 /nfs/dbraw/zinc/62/45/52/825624552.db2.gz LHLGTMBTSHTUGA-IHRRRGAJSA-N 2 1 271.405 -0.200 20 0 CBADMP CCCOC[C@@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246023068 825624556 /nfs/dbraw/zinc/62/45/56/825624556.db2.gz LHLGTMBTSHTUGA-IHRRRGAJSA-N 2 1 271.405 -0.200 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)CC[C@H]1F ZINC001246025568 825626180 /nfs/dbraw/zinc/62/61/80/825626180.db2.gz CIVPYHWSCLPGHP-YNEHKIRRSA-N 2 1 275.368 -0.559 20 0 CBADMP O[C@@H](COCc1ccco1)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246026420 825626631 /nfs/dbraw/zinc/62/66/31/825626631.db2.gz NHILSXXOLCHMGS-HIFRSBDPSA-N 2 1 295.383 -0.206 20 0 CBADMP O[C@@H](COCc1ccco1)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246026420 825626636 /nfs/dbraw/zinc/62/66/36/825626636.db2.gz NHILSXXOLCHMGS-HIFRSBDPSA-N 2 1 295.383 -0.206 20 0 CBADMP N[C@@H]1C[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CCC1(F)F ZINC001246031070 825627135 /nfs/dbraw/zinc/62/71/35/825627135.db2.gz HMAQDZRSCWVCHV-WDEREUQCSA-N 2 1 293.358 -0.480 20 0 CBADMP N[C@@H]1C[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CCC1(F)F ZINC001246031070 825627139 /nfs/dbraw/zinc/62/71/39/825627139.db2.gz HMAQDZRSCWVCHV-WDEREUQCSA-N 2 1 293.358 -0.480 20 0 CBADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246032108 825627594 /nfs/dbraw/zinc/62/75/94/825627594.db2.gz JAGXBSJJFLEVTD-ZIAGYGMSSA-N 3 1 285.432 -0.087 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)CN1 ZINC001246083671 825633856 /nfs/dbraw/zinc/63/38/56/825633856.db2.gz VSADDCYWEQWPHQ-RYUDHWBXSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H](C)C2)CN1 ZINC001246099116 825636305 /nfs/dbraw/zinc/63/63/05/825636305.db2.gz LNDWBQQIGVQIDT-NOOOWODRSA-N 2 1 255.362 -0.275 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@@H](N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[NH2+]1 ZINC001246135159 825638643 /nfs/dbraw/zinc/63/86/43/825638643.db2.gz QZSCXRNUTZHHRM-SKENRDBWSA-N 2 1 283.372 -0.754 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@]23CCCO[C@@H]2CC[NH2+]C3)CN1 ZINC001246152100 825642325 /nfs/dbraw/zinc/64/23/25/825642325.db2.gz OPJOGGVJICFCFN-COMQUAJESA-N 2 1 297.399 -0.362 20 0 CBADMP COC(=O)[C@@H]1C[C@H](n2cnc(C)c2CC[NH3+])C[NH2+]1 ZINC001246181149 825645835 /nfs/dbraw/zinc/64/58/35/825645835.db2.gz YROMJBNZNINBFG-UWVGGRQHSA-N 2 1 252.318 -0.231 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)CN1 ZINC001246182814 825647061 /nfs/dbraw/zinc/64/70/61/825647061.db2.gz AAEABULWUNIFQB-WOPDTQHZSA-N 2 1 255.362 -0.036 20 0 CBADMP Cc1ncc(C[NH3+])c(=N)n1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246191784 825648025 /nfs/dbraw/zinc/64/80/25/825648025.db2.gz QAXGJPSKWJATSC-NSHDSACASA-N 2 1 262.361 -0.604 20 0 CBADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246201395 825649338 /nfs/dbraw/zinc/64/93/38/825649338.db2.gz PFWVOVMJAJAZPQ-XQQFMLRXSA-N 3 1 296.415 -0.789 20 0 CBADMP CCOC(=O)CNC(=O)C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246211025 825651213 /nfs/dbraw/zinc/65/12/13/825651213.db2.gz ICLCXPFAPIWMGF-UWVGGRQHSA-N 2 1 257.334 -0.604 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246215352 825651616 /nfs/dbraw/zinc/65/16/16/825651616.db2.gz SPIYJIXRQHAVNE-AXFHLTTASA-N 3 1 285.392 -0.479 20 0 CBADMP C[N@H+]1CCCN(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246241600 825655039 /nfs/dbraw/zinc/65/50/39/825655039.db2.gz STPGKCHLEIMRGN-CQSZACIVSA-N 3 1 281.448 -0.693 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](n2cc3c(n2)CC[C@H]([NH3+])C3)C[NH2+]1 ZINC001246237537 825655308 /nfs/dbraw/zinc/65/53/08/825655308.db2.gz PCWLSHZPVPJHEW-UMNHJUIQSA-N 2 1 264.329 -0.225 20 0 CBADMP COC(=O)[C@@H]1C[C@H](NCCC[N@H+](C)CCC[NH3+])CN1 ZINC001246285768 825659115 /nfs/dbraw/zinc/65/91/15/825659115.db2.gz VWEIVSINWRAPRM-RYUDHWBXSA-N 2 1 272.393 -0.850 20 0 CBADMP COC(=O)[C@@H]1C[C@H](NCCC[N@@H+](C)CCC[NH3+])CN1 ZINC001246285768 825659120 /nfs/dbraw/zinc/65/91/20/825659120.db2.gz VWEIVSINWRAPRM-RYUDHWBXSA-N 2 1 272.393 -0.850 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N(CCC[NH3+])CCC[NH+](C)C)C[NH2+]1 ZINC001246276957 825659698 /nfs/dbraw/zinc/65/96/98/825659698.db2.gz FSFZTTYQUROVEB-OLZOCXBDSA-N 3 1 286.420 -0.508 20 0 CBADMP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001246299477 825661680 /nfs/dbraw/zinc/66/16/80/825661680.db2.gz KZHXPJOXKTUWRC-PPWQZUPISA-N 3 1 283.416 -0.200 20 0 CBADMP CCOC(=O)N1CCC([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246299209 825661902 /nfs/dbraw/zinc/66/19/02/825661902.db2.gz KIBKVTQPYKSVPP-ZYHUDNBSSA-N 2 1 271.361 -0.223 20 0 CBADMP CS(=O)(=O)C1CCC([NH2+][C@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246306791 825663669 /nfs/dbraw/zinc/66/36/69/825663669.db2.gz LMXFUYHMYXPESD-YYJSSNLHSA-N 2 1 276.402 -0.488 20 0 CBADMP [NH3+]C[C@@]1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CN2CCC1CC2 ZINC001246322601 825664291 /nfs/dbraw/zinc/66/42/91/825664291.db2.gz BEBBMPFIJASXPJ-UKRRQHHQSA-N 2 1 279.432 -0.907 20 0 CBADMP [NH3+]C[C@]1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CN2CCC1CC2 ZINC001246322600 825664317 /nfs/dbraw/zinc/66/43/17/825664317.db2.gz BEBBMPFIJASXPJ-HIFRSBDPSA-N 2 1 279.432 -0.907 20 0 CBADMP C[C@@H]1CC[C@@H]([NH2+]CCCN2CCS(=O)(=O)CC2)C[NH2+]1 ZINC001246331413 825665981 /nfs/dbraw/zinc/66/59/81/825665981.db2.gz BINYGUSZTKILPY-CHWSQXEVSA-N 2 1 289.445 -0.163 20 0 CBADMP COC(=O)[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001246332065 825666041 /nfs/dbraw/zinc/66/60/41/825666041.db2.gz YPALHVOTFRRFIJ-STQMWFEESA-N 3 1 296.415 -0.789 20 0 CBADMP O=C1C[NH2+]CCN1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246349152 825667637 /nfs/dbraw/zinc/66/76/37/825667637.db2.gz BARKLIWQZMIKHA-FOSCPWQOSA-N 3 1 252.362 -0.709 20 0 CBADMP [NH3+]CCN(CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(O)N=O ZINC001246349200 825667921 /nfs/dbraw/zinc/66/79/21/825667921.db2.gz HHEDQWJIVKHTDP-ZACCUICWSA-N 2 1 272.353 -0.593 20 0 CBADMP COCCC1([NH2+][C@H]2CN[C@H](C(=O)OC)C2)CC[NH2+]CC1 ZINC001246389126 825670516 /nfs/dbraw/zinc/67/05/16/825670516.db2.gz IOYFOHVJNRIJHF-NEPJUHHUSA-N 2 1 285.388 -0.362 20 0 CBADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246401500 825670793 /nfs/dbraw/zinc/67/07/93/825670793.db2.gz LYKRIEVJTJXEBH-MNOVXSKESA-N 3 1 271.361 -0.623 20 0 CBADMP COC(=O)c1ccc(C[NH3+])n1[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246412042 825671386 /nfs/dbraw/zinc/67/13/86/825671386.db2.gz SBMCFVHJZNXFKI-ZJUUUORDSA-N 2 1 281.312 -0.191 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CC23C[NH2+]C3)CCN1 ZINC001246443053 825672376 /nfs/dbraw/zinc/67/23/76/825672376.db2.gz FPPIVPYWEWJPKP-OUAUKWLOSA-N 2 1 253.346 -0.378 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC23C[NH2+]C3)CN1 ZINC001246442303 825672928 /nfs/dbraw/zinc/67/29/28/825672928.db2.gz CVZCRNYCUCLMJK-DCAQKATOSA-N 2 1 253.346 -0.378 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](NCCC[NH2+]CCC[NH3+])CN1 ZINC001246453413 825674086 /nfs/dbraw/zinc/67/40/86/825674086.db2.gz NULWZIAUAZFPEZ-GXTWGEPZSA-N 2 1 286.420 -0.412 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]CCC[NH2+]CCCC[NH3+])CN1 ZINC001246457672 825674634 /nfs/dbraw/zinc/67/46/34/825674634.db2.gz PZEQDDVORWNOCT-RYUDHWBXSA-N 3 1 272.393 -0.802 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC23CC3)CN1 ZINC001246473783 825675718 /nfs/dbraw/zinc/67/57/18/825675718.db2.gz NIGCFPOOQYCPRN-VWYCJHECSA-N 2 1 253.346 -0.378 20 0 CBADMP COC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246524560 825679800 /nfs/dbraw/zinc/67/98/00/825679800.db2.gz GVIBWNACRMBHKQ-VXGBXAGGSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1C[C@H](n2cc[nH+]c2CCC[NH3+])CN1 ZINC001246522485 825680024 /nfs/dbraw/zinc/68/00/24/825680024.db2.gz CWDJYRXEFXGBSG-UWVGGRQHSA-N 2 1 252.318 -0.150 20 0 CBADMP [NH3+]CC[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246528589 825681312 /nfs/dbraw/zinc/68/13/12/825681312.db2.gz AJNOMPVVCHAYPY-NEPJUHHUSA-N 3 1 254.378 -0.870 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N2C[C@@H](F)[C@@H]([NH3+])C2)C[NH2+]1 ZINC001246527099 825681656 /nfs/dbraw/zinc/68/16/56/825681656.db2.gz SIAYSOIBAIVCDJ-MWGHHZFTSA-N 2 1 259.325 -0.349 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246544744 825682980 /nfs/dbraw/zinc/68/29/80/825682980.db2.gz SLVZVVUNDJHASJ-VNHYZAJKSA-N 2 1 299.415 -0.154 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246542364 825683011 /nfs/dbraw/zinc/68/30/11/825683011.db2.gz JWRDBNPKSSBNMP-WZRBSPASSA-N 2 1 271.361 -0.934 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246546280 825683063 /nfs/dbraw/zinc/68/30/63/825683063.db2.gz ZDSXCCXXGCTMQT-TZMCWYRMSA-N 3 1 268.405 -0.744 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CCN1 ZINC001246544374 825683525 /nfs/dbraw/zinc/68/35/25/825683525.db2.gz RESXEMLZLZOVRB-OBJOEFQTSA-N 2 1 285.388 -0.544 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CCN1 ZINC001246538347 825683550 /nfs/dbraw/zinc/68/35/50/825683550.db2.gz BAGUEIRQIVBOMK-USZNOCQGSA-N 2 1 255.362 -0.193 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246555062 825684587 /nfs/dbraw/zinc/68/45/87/825684587.db2.gz BFNUUDNBWRXZRN-GHMZBOCLSA-N 3 1 274.359 -0.004 20 0 CBADMP [NH3+]C[C@@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246555062 825684594 /nfs/dbraw/zinc/68/45/94/825684594.db2.gz BFNUUDNBWRXZRN-GHMZBOCLSA-N 2 1 274.359 -0.004 20 0 CBADMP COC(=O)[C@H]1CCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246554420 825684753 /nfs/dbraw/zinc/68/47/53/825684753.db2.gz WOYZUGRNFMNWDO-WDEREUQCSA-N 2 1 253.346 -0.282 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@H](C)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246548338 825684995 /nfs/dbraw/zinc/68/49/95/825684995.db2.gz GENWKUUEPDLRLX-RHYQMDGZSA-N 2 1 255.362 -0.193 20 0 CBADMP COC(=O)[C@@]1(F)CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246548558 825685146 /nfs/dbraw/zinc/68/51/46/825685146.db2.gz IZOCEUWXAORKHV-GXFFZTMASA-N 2 1 271.336 -0.333 20 0 CBADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2C[C@@H]([NH3+])[C@H](O)C2)C[NH2+]1 ZINC001246561008 825685717 /nfs/dbraw/zinc/68/57/17/825685717.db2.gz WZPCHOCXZGIOGZ-CHWFTXMASA-N 2 1 271.361 -0.938 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@H](N2C[C@@H](C)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246566639 825686210 /nfs/dbraw/zinc/68/62/10/825686210.db2.gz HWTKVQNDZNKCCL-XZUYRWCXSA-N 2 1 255.362 -0.051 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@@H](N2C[C@@H](C)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246566637 825686428 /nfs/dbraw/zinc/68/64/28/825686428.db2.gz HWTKVQNDZNKCCL-UZWSLXQKSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246565208 825686463 /nfs/dbraw/zinc/68/64/63/825686463.db2.gz YLHLVUOKESFUGK-HIFRSBDPSA-N 2 1 299.415 -0.201 20 0 CBADMP [NH3+][C@@H]1CC[N@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1O ZINC001246560068 825686529 /nfs/dbraw/zinc/68/65/29/825686529.db2.gz RPQLTKVEHIIWEJ-CEUNDQEZSA-N 3 1 269.389 -0.319 20 0 CBADMP [NH3+][C@@H]1CCN(C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1O ZINC001246560068 825686532 /nfs/dbraw/zinc/68/65/32/825686532.db2.gz RPQLTKVEHIIWEJ-CEUNDQEZSA-N 2 1 269.389 -0.319 20 0 CBADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCC[C@@H](n3ncnn3)C2)C[C@H]1O ZINC001246567477 825687839 /nfs/dbraw/zinc/68/78/39/825687839.db2.gz KXRFCOWPLZFHHE-IRCOFANPSA-N 2 1 266.349 -0.449 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC[C@@H](C[NH3+])[C@H]2C)C[NH2+]1 ZINC001246567331 825688022 /nfs/dbraw/zinc/68/80/22/825688022.db2.gz XISZLVPKJCOVPS-RHYQMDGZSA-N 2 1 255.362 -0.051 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCN(C3CC3)C(=O)C2)C[C@@H]1O ZINC001246578976 825688897 /nfs/dbraw/zinc/68/88/97/825688897.db2.gz DJGUMKBAACKLMI-DLOVCJGASA-N 2 1 253.346 -0.609 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCCC3(C2)OCCO3)C[C@H]1O ZINC001246579364 825689600 /nfs/dbraw/zinc/68/96/00/825689600.db2.gz IVBRGOJGVBYKQL-QJPTWQEYSA-N 2 1 256.346 -0.077 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@H](C[NH3+])CC[C@@H]2C)C[NH2+]1 ZINC001246588936 825690497 /nfs/dbraw/zinc/69/04/97/825690497.db2.gz BRVWOZJQXMVRCC-BJDJZHNGSA-N 2 1 255.362 -0.051 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCC[C@@H](n3ncnn3)C2)C[C@@H]1O ZINC001246585210 825690585 /nfs/dbraw/zinc/69/05/85/825690585.db2.gz OVOADNQPNRZOBA-YFKTTZPYSA-N 2 1 266.349 -0.592 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCC[C@@H](n3ncnn3)C2)C[C@H]1O ZINC001246580769 825690786 /nfs/dbraw/zinc/69/07/86/825690786.db2.gz OVOADNQPNRZOBA-IRCOFANPSA-N 2 1 266.349 -0.592 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@@H](N2CC(C)(C[NH3+])C2)C[NH2+]1 ZINC001246591047 825692485 /nfs/dbraw/zinc/69/24/85/825692485.db2.gz VFQGLFFQKAXUPS-MFKMUULPSA-N 2 1 255.362 -0.049 20 0 CBADMP COC[C@@H]1CNCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246590939 825692678 /nfs/dbraw/zinc/69/26/78/825692678.db2.gz BGBMHLPZRMNCJU-RYUDHWBXSA-N 2 1 254.378 -0.999 20 0 CBADMP COC[C@@H]1CNCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246590939 825692681 /nfs/dbraw/zinc/69/26/81/825692681.db2.gz BGBMHLPZRMNCJU-RYUDHWBXSA-N 2 1 254.378 -0.999 20 0 CBADMP COC(=O)[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246595506 825692693 /nfs/dbraw/zinc/69/26/93/825692693.db2.gz SYRKRZMYIJFTQL-GHMZBOCLSA-N 2 1 253.346 -0.425 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@]3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246599213 825694383 /nfs/dbraw/zinc/69/43/83/825694383.db2.gz BDQULJWEMFRGEE-OBJOEFQTSA-N 2 1 267.373 -0.035 20 0 CBADMP CC(=O)N1CC[C@@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246617542 825695280 /nfs/dbraw/zinc/69/52/80/825695280.db2.gz GXFNIGBYAUJWDM-RDBSUJKOSA-N 2 1 266.389 -0.367 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCOC3(CC[NH2+]CC3)C1)CCN2 ZINC001246608701 825695473 /nfs/dbraw/zinc/69/54/73/825695473.db2.gz YEJCCHXBYLMCLB-CYBMUJFWSA-N 3 1 280.416 -0.465 20 0 CBADMP C1C[C@@]2(CCC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)[NH2+]1 ZINC001246614315 825695536 /nfs/dbraw/zinc/69/55/36/825695536.db2.gz RNKSAFXCYZBCQX-QWHCGFSZSA-N 3 1 250.390 -0.092 20 0 CBADMP C1C[C@@]2(CCC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)[NH2+]1 ZINC001246614315 825695538 /nfs/dbraw/zinc/69/55/38/825695538.db2.gz RNKSAFXCYZBCQX-QWHCGFSZSA-N 3 1 250.390 -0.092 20 0 CBADMP CCOC(=O)N1CC[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001246621273 825696445 /nfs/dbraw/zinc/69/64/45/825696445.db2.gz CCIQQNYPDZMRIE-GXTWGEPZSA-N 2 1 282.388 -0.146 20 0 CBADMP C1C[C@]2(C[NH2+]1)C[NH2+]CCN2C1CCC2(CC1)C[NH2+]CCO2 ZINC001246622100 825696548 /nfs/dbraw/zinc/69/65/48/825696548.db2.gz GFPATONDGMPQEU-PCKAHOCUSA-N 3 1 294.443 -0.075 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1CC[NH2+]C[C@]13CC[NH2+]C3)CCO2 ZINC001246623722 825696838 /nfs/dbraw/zinc/69/68/38/825696838.db2.gz KJBOSDFTVRUDSV-QWHCGFSZSA-N 3 1 266.389 -0.855 20 0 CBADMP CCOC(=O)N1CC[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001246621274 825697053 /nfs/dbraw/zinc/69/70/53/825697053.db2.gz CCIQQNYPDZMRIE-JSGCOSHPSA-N 2 1 282.388 -0.146 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CN1 ZINC001246620975 825697372 /nfs/dbraw/zinc/69/73/72/825697372.db2.gz CBEDXYFUJIYDOC-USZNOCQGSA-N 2 1 253.346 -0.569 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246631396 825698283 /nfs/dbraw/zinc/69/82/83/825698283.db2.gz SJMCFDQSTSEISG-QNWHQSFQSA-N 2 1 267.373 -0.036 20 0 CBADMP CCN1CC[C@@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1=O ZINC001246642036 825700414 /nfs/dbraw/zinc/70/04/14/825700414.db2.gz LCVOYXUAKVNUCP-OCCSQVGLSA-N 2 1 266.389 -0.365 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC23CC[NH2+]CC3)C[NH2+]1 ZINC001246644832 825700562 /nfs/dbraw/zinc/70/05/62/825700562.db2.gz YHNAEMKGFUDGEE-MNOVXSKESA-N 2 1 253.346 -0.282 20 0 CBADMP C1[NH2+]CC12C[C@H](N1CCN[C@@]3(CC[NH2+]C3)C1)CCO2 ZINC001246640722 825701232 /nfs/dbraw/zinc/70/12/32/825701232.db2.gz GVFCALYIRYPYMW-CHWSQXEVSA-N 2 1 266.389 -0.855 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CCO2 ZINC001246640722 825701229 /nfs/dbraw/zinc/70/12/29/825701229.db2.gz GVFCALYIRYPYMW-CHWSQXEVSA-N 3 1 266.389 -0.855 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH+]2CC3(C2)CC[NH2+]CC3)CN1 ZINC001246641218 825701373 /nfs/dbraw/zinc/70/13/73/825701373.db2.gz WSNJFRJUBIPNMQ-MNOVXSKESA-N 2 1 253.346 -0.425 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246641218 825701378 /nfs/dbraw/zinc/70/13/78/825701378.db2.gz WSNJFRJUBIPNMQ-MNOVXSKESA-N 2 1 253.346 -0.425 20 0 CBADMP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CCN1 ZINC001246641607 825701502 /nfs/dbraw/zinc/70/15/02/825701502.db2.gz JRMSGKOHBACCSW-KCQAQPDRSA-N 2 1 296.415 -0.693 20 0 CBADMP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CCN1 ZINC001246641607 825701507 /nfs/dbraw/zinc/70/15/07/825701507.db2.gz JRMSGKOHBACCSW-KCQAQPDRSA-N 2 1 296.415 -0.693 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CCN1 ZINC001246641896 825701537 /nfs/dbraw/zinc/70/15/37/825701537.db2.gz JRMSGKOHBACCSW-VNHYZAJKSA-N 2 1 296.415 -0.693 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CCN1 ZINC001246641896 825701541 /nfs/dbraw/zinc/70/15/41/825701541.db2.gz JRMSGKOHBACCSW-VNHYZAJKSA-N 2 1 296.415 -0.693 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCC[C@@]3(CNCCO3)C1)CCN2 ZINC001246645110 825702034 /nfs/dbraw/zinc/70/20/34/825702034.db2.gz BCJBQUJMCVRFJS-DZGCQCFKSA-N 2 1 280.416 -0.465 20 0 CBADMP CC(=O)N1CCC[C@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246646155 825702098 /nfs/dbraw/zinc/70/20/98/825702098.db2.gz WRXJNKCPZPSAED-KBPBESRZSA-N 2 1 266.389 -0.365 20 0 CBADMP CC(=O)N1CCC[C@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246646155 825702104 /nfs/dbraw/zinc/70/21/04/825702104.db2.gz WRXJNKCPZPSAED-KBPBESRZSA-N 2 1 266.389 -0.365 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@@H+]1CCC[C@]13CC[NH2+]C3)CCN2 ZINC001246651695 825702326 /nfs/dbraw/zinc/70/23/26/825702326.db2.gz YJVJGIMBZYJZLT-TZMCWYRMSA-N 3 1 250.390 -0.092 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCC[C@]13CC[NH2+]C3)CCN2 ZINC001246651695 825702328 /nfs/dbraw/zinc/70/23/28/825702328.db2.gz YJVJGIMBZYJZLT-TZMCWYRMSA-N 3 1 250.390 -0.092 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CN1 ZINC001246647233 825702587 /nfs/dbraw/zinc/70/25/87/825702587.db2.gz JDWQOBUEAHEVPA-XQHKEYJVSA-N 2 1 267.373 -0.179 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CN1 ZINC001246647233 825702593 /nfs/dbraw/zinc/70/25/93/825702593.db2.gz JDWQOBUEAHEVPA-XQHKEYJVSA-N 2 1 267.373 -0.179 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)CN1 ZINC001246670861 825705218 /nfs/dbraw/zinc/70/52/18/825705218.db2.gz GEGYDWMJVGNTDQ-RHYQMDGZSA-N 2 1 253.346 -0.426 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)CN1 ZINC001246670861 825705220 /nfs/dbraw/zinc/70/52/20/825705220.db2.gz GEGYDWMJVGNTDQ-RHYQMDGZSA-N 2 1 253.346 -0.426 20 0 CBADMP COC(=O)[C@H]1C[C@@H](N2CC[NH2+][C@H](C(C)C)C2)C[NH2+]1 ZINC001246685136 825705891 /nfs/dbraw/zinc/70/58/91/825705891.db2.gz IJXPUIOBCQAEPL-UTUOFQBUSA-N 2 1 255.362 -0.180 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)CN1 ZINC001246678607 825706110 /nfs/dbraw/zinc/70/61/10/825706110.db2.gz OOSMKCJXMPCONW-RYUDHWBXSA-N 2 1 255.362 -0.179 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C3C[NH2+]C3)C2)CN1 ZINC001246681003 825706940 /nfs/dbraw/zinc/70/69/40/825706940.db2.gz ZABFCWGYAYHADQ-RTXFEEFZSA-N 2 1 267.373 -0.179 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)C[NH2+]1 ZINC001246694431 825707529 /nfs/dbraw/zinc/70/75/29/825707529.db2.gz RIMBVBUCIUNWNL-ZJQBRPOHSA-N 2 1 285.363 -0.087 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246697485 825708236 /nfs/dbraw/zinc/70/82/36/825708236.db2.gz ARIIIPCJNCXUDA-RDBSUJKOSA-N 3 1 264.417 -0.036 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246697485 825708241 /nfs/dbraw/zinc/70/82/41/825708241.db2.gz ARIIIPCJNCXUDA-RDBSUJKOSA-N 3 1 264.417 -0.036 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246697485 825708245 /nfs/dbraw/zinc/70/82/45/825708245.db2.gz ARIIIPCJNCXUDA-RDBSUJKOSA-N 3 1 264.417 -0.036 20 0 CBADMP CCOC(=O)[C@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246817315 825715334 /nfs/dbraw/zinc/71/53/34/825715334.db2.gz RDFLQHQBVCYUAW-NWDGAFQWSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)C[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246817446 825715374 /nfs/dbraw/zinc/71/53/74/825715374.db2.gz KVENWNAOMKHGHD-RYUDHWBXSA-N 2 1 283.372 -0.656 20 0 CBADMP C[N@H+](C1CN([C@@H]2CCNC3(C[NH2+]C3)C2)C1)[C@H]1CCOC1 ZINC001246820809 825715776 /nfs/dbraw/zinc/71/57/76/825715776.db2.gz QITMQBFVSDUILR-OLZOCXBDSA-N 2 1 280.416 -0.515 20 0 CBADMP C[N@@H+](C1CN([C@@H]2CCNC3(C[NH2+]C3)C2)C1)[C@H]1CCOC1 ZINC001246820809 825715781 /nfs/dbraw/zinc/71/57/81/825715781.db2.gz QITMQBFVSDUILR-OLZOCXBDSA-N 2 1 280.416 -0.515 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH2+]CCNCC[NH2+]CC1)C2 ZINC001246820100 825716750 /nfs/dbraw/zinc/71/67/50/825716750.db2.gz JJRMIKRQHUHGQJ-MUJYYYPQSA-N 3 1 295.475 -0.304 20 0 CBADMP C[N@H+]1CCC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246820045 825716775 /nfs/dbraw/zinc/71/67/75/825716775.db2.gz JDEIDTPBLQNNBB-HNNXBMFYSA-N 3 1 283.464 -0.445 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246843192 825720163 /nfs/dbraw/zinc/72/01/63/825720163.db2.gz BHGRKXCNLPHCLQ-RYUDHWBXSA-N 2 1 266.389 -0.367 20 0 CBADMP C[N@@H+](C1CCS(=O)(=O)CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246844141 825720430 /nfs/dbraw/zinc/72/04/30/825720430.db2.gz GNGBGFUZGOXGTG-GFCCVEGCSA-N 2 1 287.429 -0.411 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CN1 ZINC001246840606 825720653 /nfs/dbraw/zinc/72/06/53/825720653.db2.gz IYRXSVFOBCDZMF-RNJOBUHISA-N 2 1 267.373 -0.227 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CN1 ZINC001246840606 825720660 /nfs/dbraw/zinc/72/06/60/825720660.db2.gz IYRXSVFOBCDZMF-RNJOBUHISA-N 2 1 267.373 -0.227 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CN1 ZINC001246840606 825720667 /nfs/dbraw/zinc/72/06/67/825720667.db2.gz IYRXSVFOBCDZMF-RNJOBUHISA-N 2 1 267.373 -0.227 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CN1 ZINC001246847130 825721198 /nfs/dbraw/zinc/72/11/98/825721198.db2.gz PODYKZGPZZZIAY-USZNOCQGSA-N 2 1 253.346 -0.569 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CN1 ZINC001246847129 825721476 /nfs/dbraw/zinc/72/14/76/825721476.db2.gz PODYKZGPZZZIAY-RHYQMDGZSA-N 2 1 253.346 -0.569 20 0 CBADMP C[N@@H+](CCC1OCCO1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246840616 825721533 /nfs/dbraw/zinc/72/15/33/825721533.db2.gz OMSSCEBKSLIYCW-NSHDSACASA-N 2 1 255.362 -0.225 20 0 CBADMP CCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)[C@@H]1CCC[NH2+]C1 ZINC001246854620 825722194 /nfs/dbraw/zinc/72/21/94/825722194.db2.gz POKPIDOLNUVYBX-UTUOFQBUSA-N 2 1 255.362 -0.036 20 0 CBADMP CCN([C@@H]1C[NH2+][C@@H](C(=O)OC)C1)[C@@H]1CCC[NH2+]C1 ZINC001246854609 825722388 /nfs/dbraw/zinc/72/23/88/825722388.db2.gz POKPIDOLNUVYBX-GRYCIOLGSA-N 2 1 255.362 -0.036 20 0 CBADMP CCN([C@H]1C[NH2+][C@@H](C(=O)OC)C1)[C@H]1CCC[NH2+]C1 ZINC001246854613 825722589 /nfs/dbraw/zinc/72/25/89/825722589.db2.gz POKPIDOLNUVYBX-QJPTWQEYSA-N 2 1 255.362 -0.036 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@H]3COC[C@@H](C1)N3)CCN2 ZINC001246852832 825722619 /nfs/dbraw/zinc/72/26/19/825722619.db2.gz KSIXNCFUBDILAA-YNEHKIRRSA-N 2 1 266.389 -0.857 20 0 CBADMP CC(=O)N1CCC[C@@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246858804 825723066 /nfs/dbraw/zinc/72/30/66/825723066.db2.gz IHBXOGPNRJCLBR-RBKKPWLPSA-N 2 1 267.373 -0.097 20 0 CBADMP COC(=O)[C@@H]([NH3+])C1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246865239 825723953 /nfs/dbraw/zinc/72/39/53/825723953.db2.gz SHZXTOJJSFIXDF-OLZOCXBDSA-N 3 1 296.415 -0.707 20 0 CBADMP CC(=O)N1CC[C@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246858882 825724264 /nfs/dbraw/zinc/72/42/64/825724264.db2.gz IYEOYOCYAMJBDG-FXJUQPSGSA-N 2 1 253.346 -0.487 20 0 CBADMP C[NH2+]C[C@H]1CC[N@@H+]([C@H]2CC[C@@H](C(=O)OC)NC2)C1 ZINC001246866001 825725164 /nfs/dbraw/zinc/72/51/64/825725164.db2.gz XSMXZJLKWWYYED-WOPDTQHZSA-N 2 1 255.362 -0.179 20 0 CBADMP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CC[C@@H](C(=O)OC)NC2)C1 ZINC001246866001 825725165 /nfs/dbraw/zinc/72/51/65/825725165.db2.gz XSMXZJLKWWYYED-WOPDTQHZSA-N 2 1 255.362 -0.179 20 0 CBADMP [NH3+]CC1CN([C@H]2CCC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246868267 825725222 /nfs/dbraw/zinc/72/52/22/825725222.db2.gz BAEQGKJGARHHKZ-GJZGRUSLSA-N 3 1 293.459 -0.565 20 0 CBADMP [NH3+]CC1CN([C@@H]2CCC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246868271 825725584 /nfs/dbraw/zinc/72/55/84/825725584.db2.gz BAEQGKJGARHHKZ-HUUCEWRRSA-N 3 1 293.459 -0.565 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@H]3CC[C@@H](C2)[NH2+]C3)C[NH2+]1 ZINC001246870618 825725636 /nfs/dbraw/zinc/72/56/36/825725636.db2.gz YTEIXMIIVPXNLR-BJDJZHNGSA-N 2 1 253.346 -0.426 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C(=O)OC)NC2)C1 ZINC001246865997 825725652 /nfs/dbraw/zinc/72/56/52/825725652.db2.gz XSMXZJLKWWYYED-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C(=O)OC)NC2)C1 ZINC001246865997 825725655 /nfs/dbraw/zinc/72/56/55/825725655.db2.gz XSMXZJLKWWYYED-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246869923 825725675 /nfs/dbraw/zinc/72/56/75/825725675.db2.gz JDMKKJYLYAFRPR-KBPBESRZSA-N 2 1 298.431 -0.493 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC3(C2)CC[NH+](C)CC3)C[NH2+]1 ZINC001246869184 825726124 /nfs/dbraw/zinc/72/61/24/825726124.db2.gz FRMFERZAZTVAQQ-RYUDHWBXSA-N 2 1 267.373 -0.083 20 0 CBADMP CCC[C@H]1CN([C@H]2C[NH2+][C@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246903350 825728952 /nfs/dbraw/zinc/72/89/52/825728952.db2.gz PMHZZMZIXOVCSM-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC[NH2+]CCC2)CN1 ZINC001246906550 825729713 /nfs/dbraw/zinc/72/97/13/825729713.db2.gz RFTICJSCRJVYIX-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246921485 825731538 /nfs/dbraw/zinc/73/15/38/825731538.db2.gz SGLIDYIGMULZJT-MRBYEJRBSA-N 2 1 253.346 -0.426 20 0 CBADMP COC(=O)[C@H](N)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246920822 825731847 /nfs/dbraw/zinc/73/18/47/825731847.db2.gz JYWCWGAXHUWITI-CMPLNLGQSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@H](N)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246920822 825731852 /nfs/dbraw/zinc/73/18/52/825731852.db2.gz JYWCWGAXHUWITI-CMPLNLGQSA-N 2 1 255.362 -0.049 20 0 CBADMP COC[C@H]1COCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246914466 825732039 /nfs/dbraw/zinc/73/20/39/825732039.db2.gz LIPHPUPCGDDOSB-RYUDHWBXSA-N 2 1 255.362 -0.572 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N(CCOC)[C@H]2CC[NH2+]C2)C[NH2+]1 ZINC001246930073 825732586 /nfs/dbraw/zinc/73/25/86/825732586.db2.gz SSCPLWDWSQFQSV-KCQAQPDRSA-N 2 1 299.415 -0.020 20 0 CBADMP COC(=O)[C@H](N)[C@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246928433 825732833 /nfs/dbraw/zinc/73/28/33/825732833.db2.gz ZMFLZWWFOSUJGY-RWMBFGLXSA-N 2 1 296.415 -0.707 20 0 CBADMP OC[C@@H]1CCn2nccc2C[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246939987 825735231 /nfs/dbraw/zinc/73/52/31/825735231.db2.gz HXLQUNQRDXKHMB-OCCSQVGLSA-N 2 1 291.399 -0.456 20 0 CBADMP Cn1cnc2c1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246947580 825736330 /nfs/dbraw/zinc/73/63/30/825736330.db2.gz ZYBXXQMBLOQKGM-NSHDSACASA-N 2 1 261.373 -0.128 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CN1 ZINC001246972383 825736833 /nfs/dbraw/zinc/73/68/33/825736833.db2.gz DQBYMEHLUWVCRZ-NWBUJAPZSA-N 2 1 267.373 -0.051 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CN1 ZINC001246978200 825737584 /nfs/dbraw/zinc/73/75/84/825737584.db2.gz VCQNZQYKMCBJDI-NGDQXYMTSA-N 2 1 253.346 -0.441 20 0 CBADMP [NH3+]C1CCN([C@H]2CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)CC1 ZINC001246978365 825738304 /nfs/dbraw/zinc/73/83/04/825738304.db2.gz SBXHAKNISKNBFM-GJZGRUSLSA-N 3 1 293.459 -0.422 20 0 CBADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246981109 825739495 /nfs/dbraw/zinc/73/94/95/825739495.db2.gz UTNHMDPVHHXQBL-MJBXVCDLSA-N 3 1 264.417 -0.036 20 0 CBADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246981109 825739500 /nfs/dbraw/zinc/73/95/00/825739500.db2.gz UTNHMDPVHHXQBL-MJBXVCDLSA-N 3 1 264.417 -0.036 20 0 CBADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246981109 825739504 /nfs/dbraw/zinc/73/95/04/825739504.db2.gz UTNHMDPVHHXQBL-MJBXVCDLSA-N 3 1 264.417 -0.036 20 0 CBADMP CCN1C[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246981109 825739510 /nfs/dbraw/zinc/73/95/10/825739510.db2.gz UTNHMDPVHHXQBL-MJBXVCDLSA-N 2 1 264.417 -0.036 20 0 CBADMP CCN1C[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246981109 825739513 /nfs/dbraw/zinc/73/95/13/825739513.db2.gz UTNHMDPVHHXQBL-MJBXVCDLSA-N 2 1 264.417 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2C(F)(F)F)C[NH2+]1 ZINC001246986701 825739831 /nfs/dbraw/zinc/73/98/31/825739831.db2.gz GABZEWWPGHLEAU-VGMNWLOBSA-N 2 1 281.278 -0.274 20 0 CBADMP FC(F)(F)[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246993716 825740362 /nfs/dbraw/zinc/74/03/62/825740362.db2.gz UCUFGSFANPHZEB-NXEZZACHSA-N 2 1 278.322 -0.084 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC[C@](C)(C[NH3+])C2)C[NH2+]1 ZINC001247001114 825740524 /nfs/dbraw/zinc/74/05/24/825740524.db2.gz JAPRJEXQSMDGTR-NTZNESFSSA-N 2 1 255.362 -0.049 20 0 CBADMP FC(F)(F)[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246993725 825740601 /nfs/dbraw/zinc/74/06/01/825740601.db2.gz UCUFGSFANPHZEB-UWVGGRQHSA-N 2 1 278.322 -0.084 20 0 CBADMP O=C1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]2CCCN12 ZINC001246993618 825740799 /nfs/dbraw/zinc/74/07/99/825740799.db2.gz OOPNJFIFTBQNLH-QWHCGFSZSA-N 2 1 278.400 -0.223 20 0 CBADMP CO[C@H]1C[NH2+]C[C@@H]1N(C)[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246993308 825741001 /nfs/dbraw/zinc/74/10/01/825741001.db2.gz ZRAOIBWHKYFOLI-CYDGBPFRSA-N 2 1 299.415 -0.023 20 0 CBADMP COC(=O)[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12CC2 ZINC001246991869 825741143 /nfs/dbraw/zinc/74/11/43/825741143.db2.gz DAHIXLXDCGOTCD-VXGBXAGGSA-N 2 1 279.384 -0.035 20 0 CBADMP CC[N@@H+]([C@@H](C)C(=O)OC)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246990723 825741164 /nfs/dbraw/zinc/74/11/64/825741164.db2.gz XVOLNELKKFSQNO-QWRGUYRKSA-N 2 1 255.362 -0.036 20 0 CBADMP OCC[NH+](CCO)CCC[NH2+]C[C@@H](O)C(F)(F)F ZINC001250987058 825755463 /nfs/dbraw/zinc/75/54/63/825755463.db2.gz FJMNZMKBIUXLQZ-SECBINFHSA-N 2 1 274.283 -0.824 20 0 CBADMP C[NH+](C)C1(C)CN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001251018872 825763744 /nfs/dbraw/zinc/76/37/44/825763744.db2.gz NDQSQWHHWOZBLE-LBPRGKRZSA-N 2 1 257.378 -0.685 20 0 CBADMP CCC[N@H+]1C[C@@H]2C[NH+](C[C@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251024303 825765046 /nfs/dbraw/zinc/76/50/46/825765046.db2.gz OMRHVZWZOGJZPI-OWCLPIDISA-N 2 1 297.443 -0.047 20 0 CBADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251024303 825765048 /nfs/dbraw/zinc/76/50/48/825765048.db2.gz OMRHVZWZOGJZPI-OWCLPIDISA-N 2 1 297.443 -0.047 20 0 CBADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251024303 825765050 /nfs/dbraw/zinc/76/50/50/825765050.db2.gz OMRHVZWZOGJZPI-OWCLPIDISA-N 2 1 297.443 -0.047 20 0 CBADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251024303 825765053 /nfs/dbraw/zinc/76/50/53/825765053.db2.gz OMRHVZWZOGJZPI-OWCLPIDISA-N 2 1 297.443 -0.047 20 0 CBADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC001251035067 825767368 /nfs/dbraw/zinc/76/73/68/825767368.db2.gz DRZFBPUWOXFNPL-KGLIPLIRSA-N 2 1 271.405 -0.247 20 0 CBADMP CN(C)CC(=O)N[C@@H]1CCC[N@@H+](CC(C)(C)O)C1 ZINC001252356924 825835637 /nfs/dbraw/zinc/83/56/37/825835637.db2.gz NMZSIFBWAIWOHU-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC001252356924 825835644 /nfs/dbraw/zinc/83/56/44/825835644.db2.gz NMZSIFBWAIWOHU-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC(C)(C)O)C1 ZINC001252356924 825835652 /nfs/dbraw/zinc/83/56/52/825835652.db2.gz NMZSIFBWAIWOHU-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP CN1CC[NH+](Cc2cccc(C[NH2+]C[C@H](O)CO)c2)CC1 ZINC001252069980 825827685 /nfs/dbraw/zinc/82/76/85/825827685.db2.gz HTRITPUQTFGPBR-INIZCTEOSA-N 2 1 293.411 -0.123 20 0 CBADMP COC(=O)[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001252406137 825838187 /nfs/dbraw/zinc/83/81/87/825838187.db2.gz VNXGTGWYFFIVGO-LBPRGKRZSA-N 2 1 265.313 -0.263 20 0 CBADMP CCC[N@H+]1C[C@@H]2C[NH+](C[C@H](O)C(=O)OC)C[C@@H]2C1 ZINC001252423136 825851535 /nfs/dbraw/zinc/85/15/35/825851535.db2.gz OXEGMOJRNRASIM-TUAOUCFPSA-N 2 1 256.346 -0.206 20 0 CBADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)C(=O)OC)C[C@@H]2C1 ZINC001252423136 825851538 /nfs/dbraw/zinc/85/15/38/825851538.db2.gz OXEGMOJRNRASIM-TUAOUCFPSA-N 2 1 256.346 -0.206 20 0 CBADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)C(=O)OC)C[C@@H]2C1 ZINC001252423136 825851541 /nfs/dbraw/zinc/85/15/41/825851541.db2.gz OXEGMOJRNRASIM-TUAOUCFPSA-N 2 1 256.346 -0.206 20 0 CBADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@H](O)C(=O)OC)C[C@@H]2C1 ZINC001252423136 825851544 /nfs/dbraw/zinc/85/15/44/825851544.db2.gz OXEGMOJRNRASIM-TUAOUCFPSA-N 2 1 256.346 -0.206 20 0 CBADMP CCC[NH+]1C[C@@H]2C[NH+](C[C@@H](O)C(=O)OC)C[C@H]2C1 ZINC001252423135 825851856 /nfs/dbraw/zinc/85/18/56/825851856.db2.gz OXEGMOJRNRASIM-IJLUTSLNSA-N 2 1 256.346 -0.206 20 0 CBADMP CCN(CC)C[C@H](O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC001253209124 825905449 /nfs/dbraw/zinc/90/54/49/825905449.db2.gz XWLVLVQTHHTHPY-OAHLLOKOSA-N 2 1 287.448 -0.017 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCN1CCOCC1 ZINC001253383738 825910750 /nfs/dbraw/zinc/91/07/50/825910750.db2.gz JFYSQENYYUBYOQ-LBPRGKRZSA-N 2 1 259.394 -0.343 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CCN(C2COC2)C1 ZINC001253405157 825913806 /nfs/dbraw/zinc/91/38/06/825913806.db2.gz QSFYUKVKETWGFC-AAEUAGOBSA-N 2 1 271.405 -0.202 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1CNC(=O)C1(C)C ZINC001253412269 825914968 /nfs/dbraw/zinc/91/49/68/825914968.db2.gz DMFUBADUZVIYMI-VHSXEESVSA-N 2 1 257.378 -0.150 20 0 CBADMP C[N@H+]1CCC[C@@H]([NH2+]CCN2C(=O)C=CC2=O)CC1 ZINC001254503700 825963914 /nfs/dbraw/zinc/96/39/14/825963914.db2.gz OXCZIIZYUOQMTI-LLVKDONJSA-N 2 1 251.330 -0.015 20 0 CBADMP C[N@H+]1CCC[C@H](NCCC[NH+](CCO)CCO)CC1 ZINC001254499163 825964661 /nfs/dbraw/zinc/96/46/61/825964661.db2.gz BLOZOSALWOVAHA-AWEZNQCLSA-N 2 1 273.421 -0.263 20 0 CBADMP C[N@H+]1CCC[C@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)CC1 ZINC001254513648 825964945 /nfs/dbraw/zinc/96/49/45/825964945.db2.gz FHDONBOGYFJRCM-RYUDHWBXSA-N 2 1 265.361 -0.105 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254511241 825966197 /nfs/dbraw/zinc/96/61/97/825966197.db2.gz XKTIEBBPKBJFOA-QWRGUYRKSA-N 2 1 271.361 -0.262 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254511241 825966200 /nfs/dbraw/zinc/96/62/00/825966200.db2.gz XKTIEBBPKBJFOA-QWRGUYRKSA-N 2 1 271.361 -0.262 20 0 CBADMP C[N@H+]1CC[C@H](n2cncc2CCNC(=O)CC[NH3+])C1 ZINC001255424336 825983066 /nfs/dbraw/zinc/98/30/66/825983066.db2.gz UQFXOMCUZLNNJF-LBPRGKRZSA-N 2 1 265.361 -0.233 20 0 CBADMP CN1CCC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001255472097 825983797 /nfs/dbraw/zinc/98/37/97/825983797.db2.gz NQGWHGOKJDFLKA-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CCC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001255472098 825984346 /nfs/dbraw/zinc/98/43/46/825984346.db2.gz NQGWHGOKJDFLKA-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001256324775 826011353 /nfs/dbraw/zinc/01/13/53/826011353.db2.gz UHSKQNIQWGNEJW-VXGBXAGGSA-N 2 1 296.371 -0.445 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001256324772 826011455 /nfs/dbraw/zinc/01/14/55/826011455.db2.gz UHSKQNIQWGNEJW-NWDGAFQWSA-N 2 1 296.371 -0.445 20 0 CBADMP OC[C@@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)C[C@@H]1O ZINC001256690050 826029744 /nfs/dbraw/zinc/02/97/44/826029744.db2.gz FNFORCSPABLXTA-PPWQZUPISA-N 2 1 284.400 -0.085 20 0 CBADMP NC(=O)[C@@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)CCO1 ZINC001256699477 826030387 /nfs/dbraw/zinc/03/03/87/826030387.db2.gz ZLKPRBTZGUIPNS-RUXDESIVSA-N 2 1 297.399 -0.184 20 0 CBADMP CC(C)C[NH+]1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001258009016 826054340 /nfs/dbraw/zinc/05/43/40/826054340.db2.gz NPFQUAUFSQRNSA-MELADBBJSA-N 2 1 282.436 -0.901 20 0 CBADMP COC(=O)CC[C@@H](C)[NH2+]CCC[NH+](CCO)CCO ZINC001258347253 826061416 /nfs/dbraw/zinc/06/14/16/826061416.db2.gz IVRYSEVGTJPXNT-GFCCVEGCSA-N 2 1 276.377 -0.406 20 0 CBADMP CCC[NH+]1CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001258769706 826070223 /nfs/dbraw/zinc/07/02/23/826070223.db2.gz COZOAQLTNDRYEK-UHFFFAOYSA-N 3 1 288.396 -0.001 20 0 CBADMP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001261436046 826511951 /nfs/dbraw/zinc/51/19/51/826511951.db2.gz NWOOGWXZXJUKFL-OWCLPIDISA-N 3 1 296.459 -0.189 20 0 CBADMP C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001261457479 826515711 /nfs/dbraw/zinc/51/57/11/826515711.db2.gz LHYQELOTGIFXAP-MNOVXSKESA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001261457479 826515714 /nfs/dbraw/zinc/51/57/14/826515714.db2.gz LHYQELOTGIFXAP-MNOVXSKESA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@]1(C[NH+]2CCC(S(N)(=O)=O)CC2)CC[NH2+]C1 ZINC001261483223 826522030 /nfs/dbraw/zinc/52/20/30/826522030.db2.gz MLVJSZAJZOUBHU-NSHDSACASA-N 2 1 261.391 -0.261 20 0 CBADMP C[C@H](C(=O)NC1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC001261490621 826522993 /nfs/dbraw/zinc/52/29/93/826522993.db2.gz ZFGDKFAIVRVUKB-LLVKDONJSA-N 2 1 254.378 -0.510 20 0 CBADMP C[C@@H](C(=O)NC1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC001261490622 826523641 /nfs/dbraw/zinc/52/36/41/826523641.db2.gz ZFGDKFAIVRVUKB-NSHDSACASA-N 2 1 254.378 -0.510 20 0 CBADMP CC[NH+]1CCN(CCCCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC001261502576 826527574 /nfs/dbraw/zinc/52/75/74/826527574.db2.gz QXRIZHXIAVLSJE-CYBMUJFWSA-N 2 1 268.405 -0.118 20 0 CBADMP [NH3+]CCC1CC[NH+](CC(=O)N2CCNCC2)CC1 ZINC001261515246 826530602 /nfs/dbraw/zinc/53/06/02/826530602.db2.gz AKXDTLYDNRXXQJ-UHFFFAOYSA-N 2 1 254.378 -0.521 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001261530425 826534820 /nfs/dbraw/zinc/53/48/20/826534820.db2.gz DCPNAJMLPDABLV-WCQYABFASA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001262062718 826629436 /nfs/dbraw/zinc/62/94/36/826629436.db2.gz FYVPJNWLTDWEBU-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[N@H+]1C ZINC001262062095 826629466 /nfs/dbraw/zinc/62/94/66/826629466.db2.gz RIMFKFVBIUBFQL-SDDRHHMPSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001262071360 826631847 /nfs/dbraw/zinc/63/18/47/826631847.db2.gz XTNFFGMNGZFWIL-SDDRHHMPSA-N 2 1 282.388 -0.608 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001262072912 826632707 /nfs/dbraw/zinc/63/27/07/826632707.db2.gz CBOPQFGMHKADBD-FRRDWIJNSA-N 2 1 296.415 -0.219 20 0 CBADMP NS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001262194997 826657048 /nfs/dbraw/zinc/65/70/48/826657048.db2.gz KUEFJQOLYPJUBE-GHMZBOCLSA-N 2 1 261.391 -0.404 20 0 CBADMP C([C@H]1CC2(C[NH2+]C2)CO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001262195398 826657179 /nfs/dbraw/zinc/65/71/79/826657179.db2.gz ZFFXGEXMOJFHOG-UONOGXRCSA-N 2 1 280.416 -0.656 20 0 CBADMP NS(=O)(=O)C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001262194998 826657409 /nfs/dbraw/zinc/65/74/09/826657409.db2.gz KUEFJQOLYPJUBE-MNOVXSKESA-N 2 1 261.391 -0.404 20 0 CBADMP CC(=O)NC[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001262195217 826657513 /nfs/dbraw/zinc/65/75/13/826657513.db2.gz TWOVJCNOKDYLSA-VOAKCMCISA-N 2 1 255.362 -0.315 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC001262201884 826661060 /nfs/dbraw/zinc/66/10/60/826661060.db2.gz IUKMWTCLYOBDHD-HBNTYKKESA-N 2 1 261.391 -0.768 20 0 CBADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccnc(N)n1 ZINC001262699607 826724034 /nfs/dbraw/zinc/72/40/34/826724034.db2.gz GCCVBMWPBMRDNG-UWVGGRQHSA-N 2 1 251.334 -0.050 20 0 CBADMP CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001263062200 826731884 /nfs/dbraw/zinc/73/18/84/826731884.db2.gz NLOZMBNMQWRVPF-RYUDHWBXSA-N 2 1 254.378 -0.510 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001263096252 826736276 /nfs/dbraw/zinc/73/62/76/826736276.db2.gz LVLYXFSEZIBUQD-SNVBAGLBSA-N 2 1 261.366 -0.831 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001263102643 826737915 /nfs/dbraw/zinc/73/79/15/826737915.db2.gz ATIAIFXDXLIASQ-INTQDDNPSA-N 2 1 255.362 -0.317 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001263102642 826738001 /nfs/dbraw/zinc/73/80/01/826738001.db2.gz ATIAIFXDXLIASQ-FBIMIBRVSA-N 2 1 255.362 -0.317 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001263102917 826738359 /nfs/dbraw/zinc/73/83/59/826738359.db2.gz INNBKRFMHKIXPH-GFCCVEGCSA-N 2 1 286.420 -0.772 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)CNCC[NH3+])C1 ZINC001263102501 826738394 /nfs/dbraw/zinc/73/83/94/826738394.db2.gz WPPNVDQQZLTUBE-GFCCVEGCSA-N 2 1 256.394 -0.275 20 0 CBADMP C[NH+]1CCC(OCC(=O)NCC(F)(F)C[NH3+])CC1 ZINC001263105585 826739582 /nfs/dbraw/zinc/73/95/82/826739582.db2.gz SOBQZGRNVBCEIH-UHFFFAOYSA-N 2 1 265.304 -0.193 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263161011 826746107 /nfs/dbraw/zinc/74/61/07/826746107.db2.gz UCIVQSRGQQJNFH-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263161012 826746320 /nfs/dbraw/zinc/74/63/20/826746320.db2.gz UCIVQSRGQQJNFH-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001263210935 826754249 /nfs/dbraw/zinc/75/42/49/826754249.db2.gz YXKWHFLQUCDCHZ-CYBMUJFWSA-N 2 1 268.405 -0.119 20 0 CBADMP O=C(NCCCCCN1CC[NH2+]CC1)[C@H]1CSC[NH2+]1 ZINC001263207852 826754302 /nfs/dbraw/zinc/75/43/02/826754302.db2.gz SJYYNJWINJBYHV-GFCCVEGCSA-N 2 1 286.445 -0.159 20 0 CBADMP CN1CCN(C(=O)CCC2C[NH2+]C2)CC[N@@H+](C)CC1 ZINC001263245727 826757517 /nfs/dbraw/zinc/75/75/17/826757517.db2.gz SCXDJRHBOYWVPK-UHFFFAOYSA-N 2 1 268.405 -0.308 20 0 CBADMP CN1CCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC[N@@H+](C)CC1 ZINC001263245681 826757745 /nfs/dbraw/zinc/75/77/45/826757745.db2.gz QVEKZMNYQKUFRO-HZSPNIEDSA-N 2 1 280.416 -0.452 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH3+])CC(O)C1 ZINC001263274777 826761065 /nfs/dbraw/zinc/76/10/65/826761065.db2.gz LAHILPYXYZRFSR-XSRFYTQQSA-N 2 1 255.362 -0.313 20 0 CBADMP C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1C[N@@H+](C)CCN1C ZINC001263305680 826762903 /nfs/dbraw/zinc/76/29/03/826762903.db2.gz DJAFQULWRFMZBP-IEECTRCBSA-N 2 1 266.389 -0.798 20 0 CBADMP C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CN(C)CCN1C ZINC001263305680 826762907 /nfs/dbraw/zinc/76/29/07/826762907.db2.gz DJAFQULWRFMZBP-IEECTRCBSA-N 2 1 266.389 -0.798 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001263324623 826763908 /nfs/dbraw/zinc/76/39/08/826763908.db2.gz YLWPWGPTMDRMID-GRYCIOLGSA-N 2 1 264.373 -0.757 20 0 CBADMP C[C@H](O)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001264973562 826822513 /nfs/dbraw/zinc/82/25/13/826822513.db2.gz BWEOYVUKCNQUTM-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001264973562 826822526 /nfs/dbraw/zinc/82/25/26/826822526.db2.gz BWEOYVUKCNQUTM-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](O)C[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001264973562 826822536 /nfs/dbraw/zinc/82/25/36/826822536.db2.gz BWEOYVUKCNQUTM-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](O)C[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001264973562 826822549 /nfs/dbraw/zinc/82/25/49/826822549.db2.gz BWEOYVUKCNQUTM-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001264970293 826823407 /nfs/dbraw/zinc/82/34/07/826823407.db2.gz ATGZXQOZUBGFMF-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@H](O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001264970293 826823417 /nfs/dbraw/zinc/82/34/17/826823417.db2.gz ATGZXQOZUBGFMF-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@H](O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001264970293 826823429 /nfs/dbraw/zinc/82/34/29/826823429.db2.gz ATGZXQOZUBGFMF-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001264970296 826823884 /nfs/dbraw/zinc/82/38/84/826823884.db2.gz ATGZXQOZUBGFMF-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001264970296 826823897 /nfs/dbraw/zinc/82/38/97/826823897.db2.gz ATGZXQOZUBGFMF-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001264970296 826823910 /nfs/dbraw/zinc/82/39/10/826823910.db2.gz ATGZXQOZUBGFMF-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001264970294 826823975 /nfs/dbraw/zinc/82/39/75/826823975.db2.gz ATGZXQOZUBGFMF-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@H](O)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001264970294 826823988 /nfs/dbraw/zinc/82/39/88/826823988.db2.gz ATGZXQOZUBGFMF-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@H](O)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001264970294 826823996 /nfs/dbraw/zinc/82/39/96/826823996.db2.gz ATGZXQOZUBGFMF-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC(N)=O ZINC001265000701 826829181 /nfs/dbraw/zinc/82/91/81/826829181.db2.gz BFWPLKYWTRPTLQ-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)CC(N)=O ZINC001265000701 826829190 /nfs/dbraw/zinc/82/91/90/826829190.db2.gz BFWPLKYWTRPTLQ-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)CC(N)=O ZINC001265000701 826829195 /nfs/dbraw/zinc/82/91/95/826829195.db2.gz BFWPLKYWTRPTLQ-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)CC(N)=O ZINC001265001046 826829415 /nfs/dbraw/zinc/82/94/15/826829415.db2.gz MSOKPUAIOMQOEZ-UHFFFAOYSA-N 2 1 296.415 -0.214 20 0 CBADMP CNC(=O)C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001265156315 826852775 /nfs/dbraw/zinc/85/27/75/826852775.db2.gz VMRLIVUIOJBLOK-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001265156315 826852785 /nfs/dbraw/zinc/85/27/85/826852785.db2.gz VMRLIVUIOJBLOK-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001265156315 826852795 /nfs/dbraw/zinc/85/27/95/826852795.db2.gz VMRLIVUIOJBLOK-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP COCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265308436 826879128 /nfs/dbraw/zinc/87/91/28/826879128.db2.gz SJOXIRBBRCVSAJ-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP COCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265308436 826879139 /nfs/dbraw/zinc/87/91/39/826879139.db2.gz SJOXIRBBRCVSAJ-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001265318989 826882372 /nfs/dbraw/zinc/88/23/72/826882372.db2.gz GPESSXUWNXXOST-NWDGAFQWSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@H](C)O)C1 ZINC001265318989 826882383 /nfs/dbraw/zinc/88/23/83/826882383.db2.gz GPESSXUWNXXOST-NWDGAFQWSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@H](C)O)C1 ZINC001265318989 826882394 /nfs/dbraw/zinc/88/23/94/826882394.db2.gz GPESSXUWNXXOST-NWDGAFQWSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001265349563 826883916 /nfs/dbraw/zinc/88/39/16/826883916.db2.gz FLPYMTRAQNMQEZ-RYUDHWBXSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001265349563 826883926 /nfs/dbraw/zinc/88/39/26/826883926.db2.gz FLPYMTRAQNMQEZ-RYUDHWBXSA-N 2 1 255.362 -0.179 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCOCCO)C2)C1 ZINC001265507196 826899634 /nfs/dbraw/zinc/89/96/34/826899634.db2.gz HDAAPGUUDWQMEU-AVGNSLFASA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCOCCO)C2)C1 ZINC001265507200 826900697 /nfs/dbraw/zinc/90/06/97/826900697.db2.gz HDAAPGUUDWQMEU-JHJVBQTASA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001265551752 826903291 /nfs/dbraw/zinc/90/32/91/826903291.db2.gz KKXWALSSABCASZ-GRYCIOLGSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CCOCCO ZINC001265790662 826919364 /nfs/dbraw/zinc/91/93/64/826919364.db2.gz QERYOEPHVCIKEQ-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)[nH]1 ZINC001265818531 826924169 /nfs/dbraw/zinc/92/41/69/826924169.db2.gz MELPNSZCESIZRE-VIFPVBQESA-N 2 1 268.365 -0.341 20 0 CBADMP Cc1nnc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)[nH]1 ZINC001265818530 826924273 /nfs/dbraw/zinc/92/42/73/826924273.db2.gz MELPNSZCESIZRE-SECBINFHSA-N 2 1 268.365 -0.341 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001265849394 826928685 /nfs/dbraw/zinc/92/86/85/826928685.db2.gz WOFMXJFWYLUFKW-NXEZZACHSA-N 2 1 258.366 -0.704 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001265852563 826930862 /nfs/dbraw/zinc/93/08/62/826930862.db2.gz FVYHGDLXTFBUIH-NXEZZACHSA-N 2 1 258.366 -0.704 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001265971753 826944196 /nfs/dbraw/zinc/94/41/96/826944196.db2.gz ZFJCYDBLXGVTHF-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001265971753 826944199 /nfs/dbraw/zinc/94/41/99/826944199.db2.gz ZFJCYDBLXGVTHF-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001265971753 826944204 /nfs/dbraw/zinc/94/42/04/826944204.db2.gz ZFJCYDBLXGVTHF-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP CC[N@@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001266042916 826949020 /nfs/dbraw/zinc/94/90/20/826949020.db2.gz PUIHCEHGDQYIJJ-CYBMUJFWSA-N 2 1 296.415 -0.358 20 0 CBADMP CC[N@H+](CCCNC(=O)Cn1c[nH+]cc1C)CC(N)=O ZINC001266062756 826950502 /nfs/dbraw/zinc/95/05/02/826950502.db2.gz RLAIHNVGIPCKND-UHFFFAOYSA-N 2 1 281.360 -0.495 20 0 CBADMP CC[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)CC(N)=O ZINC001266062756 826950508 /nfs/dbraw/zinc/95/05/08/826950508.db2.gz RLAIHNVGIPCKND-UHFFFAOYSA-N 2 1 281.360 -0.495 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266174776 826958497 /nfs/dbraw/zinc/95/84/97/826958497.db2.gz UFFSNIBRHRHEPC-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001266174776 826958494 /nfs/dbraw/zinc/95/84/94/826958494.db2.gz UFFSNIBRHRHEPC-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001266174776 826958495 /nfs/dbraw/zinc/95/84/95/826958495.db2.gz UFFSNIBRHRHEPC-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001266174778 826958635 /nfs/dbraw/zinc/95/86/35/826958635.db2.gz UFFSNIBRHRHEPC-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001266174778 826958639 /nfs/dbraw/zinc/95/86/39/826958639.db2.gz UFFSNIBRHRHEPC-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266174778 826958644 /nfs/dbraw/zinc/95/86/44/826958644.db2.gz UFFSNIBRHRHEPC-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC001266237428 826962428 /nfs/dbraw/zinc/96/24/28/826962428.db2.gz VUZROXDGJUAOCJ-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCO)C1)[NH+](C)C ZINC001266534170 827017099 /nfs/dbraw/zinc/01/70/99/827017099.db2.gz WIUFCGFWSLBTSN-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001266706662 827056374 /nfs/dbraw/zinc/05/63/74/827056374.db2.gz YOCIKIIQROXMQL-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001266735034 827061770 /nfs/dbraw/zinc/06/17/70/827061770.db2.gz GCOALWGVBKTHLS-TXEJJXNPSA-N 2 1 257.378 -0.054 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC001266853814 827073877 /nfs/dbraw/zinc/07/38/77/827073877.db2.gz UJTCURXVYUIZSF-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP 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 827079463 /nfs/dbraw/zinc/07/94/63/827079463.db2.gz UJVNNDZSASAFGX-KIJLLGNVSA-N 2 1 269.389 -0.246 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267072427 827112786 /nfs/dbraw/zinc/11/27/86/827112786.db2.gz ZRRCUSCRSWCSSD-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]CCOC)C1 ZINC001267106273 827113963 /nfs/dbraw/zinc/11/39/63/827113963.db2.gz TVGBDSLPAXIVGM-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]CCOC)C1 ZINC001267106273 827113964 /nfs/dbraw/zinc/11/39/64/827113964.db2.gz TVGBDSLPAXIVGM-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001267135658 827117066 /nfs/dbraw/zinc/11/70/66/827117066.db2.gz LNKQRQBSEGTOOK-SECBINFHSA-N 2 1 267.333 -0.839 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCCO ZINC001267159501 827118852 /nfs/dbraw/zinc/11/88/52/827118852.db2.gz ZBYGTMGXAQCISK-NEPJUHHUSA-N 2 1 257.378 -0.195 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@@H](C)O ZINC001267238983 827134661 /nfs/dbraw/zinc/13/46/61/827134661.db2.gz WLNWCSHTDVEJHG-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C[C@@H](C)O ZINC001267238983 827134667 /nfs/dbraw/zinc/13/46/67/827134667.db2.gz WLNWCSHTDVEJHG-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C[C@@H](C)O ZINC001267238983 827134672 /nfs/dbraw/zinc/13/46/72/827134672.db2.gz WLNWCSHTDVEJHG-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267375226 827162032 /nfs/dbraw/zinc/16/20/32/827162032.db2.gz ZXTCUBICCTXGMV-IJLUTSLNSA-N 2 1 257.378 -0.245 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+]CCn1cncn1 ZINC001267403285 827166450 /nfs/dbraw/zinc/16/64/50/827166450.db2.gz ZKBIOQWWKAJUGH-UHFFFAOYSA-N 2 1 291.359 -0.469 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]C[C@@H](C)O)C1 ZINC001267471977 827175190 /nfs/dbraw/zinc/17/51/90/827175190.db2.gz YPBSWITUVCNANI-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]C[C@@H](C)O)C1 ZINC001267471977 827175191 /nfs/dbraw/zinc/17/51/91/827175191.db2.gz YPBSWITUVCNANI-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOCCO ZINC001267716502 827204648 /nfs/dbraw/zinc/20/46/48/827204648.db2.gz LWCJOUWRQXFVFU-KBPBESRZSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOCCO ZINC001267716502 827204657 /nfs/dbraw/zinc/20/46/57/827204657.db2.gz LWCJOUWRQXFVFU-KBPBESRZSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOCCO ZINC001267716502 827204666 /nfs/dbraw/zinc/20/46/66/827204666.db2.gz LWCJOUWRQXFVFU-KBPBESRZSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOCCO ZINC001267716502 827204673 /nfs/dbraw/zinc/20/46/73/827204673.db2.gz LWCJOUWRQXFVFU-KBPBESRZSA-N 2 1 299.415 -0.379 20 0 CBADMP COCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267758453 827215866 /nfs/dbraw/zinc/21/58/66/827215866.db2.gz BOIFCUANGOHZQI-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267758453 827215875 /nfs/dbraw/zinc/21/58/75/827215875.db2.gz BOIFCUANGOHZQI-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001267758453 827215883 /nfs/dbraw/zinc/21/58/83/827215883.db2.gz BOIFCUANGOHZQI-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001267758453 827215892 /nfs/dbraw/zinc/21/58/92/827215892.db2.gz BOIFCUANGOHZQI-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001267776609 827217524 /nfs/dbraw/zinc/21/75/24/827217524.db2.gz LPXSMLAHWZPJBA-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267776609 827217532 /nfs/dbraw/zinc/21/75/32/827217532.db2.gz LPXSMLAHWZPJBA-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@](C)(C[NH2+]CCO)C2CC2)C1 ZINC001267864458 827229785 /nfs/dbraw/zinc/22/97/85/827229785.db2.gz DVQMJUUUZNUIDZ-DZGCQCFKSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@](C)(C[NH2+]CCO)C2CC2)C1 ZINC001267864458 827229791 /nfs/dbraw/zinc/22/97/91/827229791.db2.gz DVQMJUUUZNUIDZ-DZGCQCFKSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001267899709 827231466 /nfs/dbraw/zinc/23/14/66/827231466.db2.gz OFYCFEJXZLZOTJ-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H](C[NH2+]CCn1cncn1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268099577 827258059 /nfs/dbraw/zinc/25/80/59/827258059.db2.gz GKWYXHLDIUELEM-STQMWFEESA-N 2 1 294.403 -0.334 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCCF ZINC001268297772 827282000 /nfs/dbraw/zinc/28/20/00/827282000.db2.gz LCLAFMZLYSMGNJ-MNOVXSKESA-N 2 1 261.341 -0.493 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCOC2CCC2)C1 ZINC001268336515 827309969 /nfs/dbraw/zinc/30/99/69/827309969.db2.gz UOWSGZUGWPTKID-OLZOCXBDSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H](CC[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001268349372 827313159 /nfs/dbraw/zinc/31/31/59/827313159.db2.gz JRDNQKAHNVUYKU-AAEUAGOBSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](CC[NH2+]Cc1cnnn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268349374 827313678 /nfs/dbraw/zinc/31/36/78/827313678.db2.gz JRDNQKAHNVUYKU-WCQYABFASA-N 2 1 294.403 -0.106 20 0 CBADMP CCN(C)C(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268423207 827324468 /nfs/dbraw/zinc/32/44/68/827324468.db2.gz KNPAZWRVRZSETP-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCN(CC[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268497265 827342935 /nfs/dbraw/zinc/34/29/35/827342935.db2.gz JAFREBAPDURKIQ-GFCCVEGCSA-N 2 1 294.403 -0.295 20 0 CBADMP CCN(CC[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268497265 827342945 /nfs/dbraw/zinc/34/29/45/827342945.db2.gz JAFREBAPDURKIQ-GFCCVEGCSA-N 2 1 294.403 -0.295 20 0 CBADMP CCN(CC[NH2+]Cc1cn(C)nn1)C(=O)C[NH+]1CCCC1 ZINC001268498840 827343338 /nfs/dbraw/zinc/34/33/38/827343338.db2.gz XGVOASWMSLMAEU-UHFFFAOYSA-N 2 1 294.403 -0.151 20 0 CBADMP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268574007 827366520 /nfs/dbraw/zinc/36/65/20/827366520.db2.gz HZTTZLWCBRFOBF-QMAVJUDZSA-N 2 1 282.388 -0.569 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+]CCO)C1 ZINC001268590903 827372633 /nfs/dbraw/zinc/37/26/33/827372633.db2.gz KRKLVGFRYYTPHU-JDGPPOGSSA-N 2 1 255.362 -0.418 20 0 CBADMP Cc1nnc(C[NH2+]CC=CCNC(=O)CC[NH+](C)C)[nH]1 ZINC001268585943 827374091 /nfs/dbraw/zinc/37/40/91/827374091.db2.gz CBEITAHBOBXSTN-PLNGDYQASA-N 2 1 280.376 -0.173 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC/C=C\C[NH2+]CCO)C1 ZINC001268590902 827374163 /nfs/dbraw/zinc/37/41/63/827374163.db2.gz KRKLVGFRYYTPHU-DLGQBQFBSA-N 2 1 255.362 -0.418 20 0 CBADMP CC(C)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268628213 827382758 /nfs/dbraw/zinc/38/27/58/827382758.db2.gz ZQYOZJIMMIQQEH-MUBLQREKSA-N 2 1 296.415 -0.275 20 0 CBADMP C[C@@H](C[NH2+]CCO)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268700902 827406400 /nfs/dbraw/zinc/40/64/00/827406400.db2.gz MCOZDAJSMLGONY-SRVKXCTJSA-N 2 1 257.378 -0.197 20 0 CBADMP COCCC[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268786214 827422215 /nfs/dbraw/zinc/42/22/15/827422215.db2.gz NLZFCVSVMOALHM-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP COCCC[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268786214 827422217 /nfs/dbraw/zinc/42/22/17/827422217.db2.gz NLZFCVSVMOALHM-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CN(CCC[NH2+]CC(N)=O)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001268800581 827423554 /nfs/dbraw/zinc/42/35/54/827423554.db2.gz PGEYDMWODLVRBH-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268946370 827442825 /nfs/dbraw/zinc/44/28/25/827442825.db2.gz NNPIKUUWTQMWFE-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@@H](C)O)C1 ZINC001269078208 827461389 /nfs/dbraw/zinc/46/13/89/827461389.db2.gz CHTQKWCQDKRSGE-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001269278394 827487785 /nfs/dbraw/zinc/48/77/85/827487785.db2.gz IECCTEAWNIEKRQ-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@H+]2CCCO)CC1 ZINC001269278555 827487827 /nfs/dbraw/zinc/48/78/27/827487827.db2.gz KUTANOGIKYPKFQ-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCOCCO)CC1 ZINC001269469757 827512815 /nfs/dbraw/zinc/51/28/15/827512815.db2.gz XPNUNEQXXWOMCJ-GFCCVEGCSA-N 2 1 285.388 -0.672 20 0 CBADMP CC[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CCO ZINC001269472129 827513293 /nfs/dbraw/zinc/51/32/93/827513293.db2.gz VSULKBZFCOMGKC-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CCO)CC2)C1 ZINC001269489410 827514424 /nfs/dbraw/zinc/51/44/24/827514424.db2.gz PFYBOMKHHBDCNX-LLVKDONJSA-N 2 1 255.362 -0.441 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001269522871 827516239 /nfs/dbraw/zinc/51/62/39/827516239.db2.gz UJUIITYNTJVKHT-NWDGAFQWSA-N 2 1 269.389 -0.053 20 0 CBADMP CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](CCO)C1)[NH+](C)C ZINC001270599754 827581633 /nfs/dbraw/zinc/58/16/33/827581633.db2.gz MSVZRXLPJIVCKW-DGCLKSJQSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](C[NH2+]CCO)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001271100271 827622773 /nfs/dbraw/zinc/62/27/73/827622773.db2.gz GUJFDMFEXPQEBR-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001271192398 827676698 /nfs/dbraw/zinc/67/66/98/827676698.db2.gz LUZZNEFIKSFKLO-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001271222732 827678435 /nfs/dbraw/zinc/67/84/35/827678435.db2.gz FDECBKALLADVSO-CYBMUJFWSA-N 2 1 280.416 -0.356 20 0 CBADMP CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001271996211 827748871 /nfs/dbraw/zinc/74/88/71/827748871.db2.gz JOBQJUVZWZOJBS-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001271996211 827748860 /nfs/dbraw/zinc/74/88/60/827748860.db2.gz JOBQJUVZWZOJBS-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001271996211 827748866 /nfs/dbraw/zinc/74/88/66/827748866.db2.gz JOBQJUVZWZOJBS-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001272273047 827775979 /nfs/dbraw/zinc/77/59/79/827775979.db2.gz FBCYZKYWONGWLO-FIQHERPVSA-N 2 1 253.346 -0.786 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001272273047 827775985 /nfs/dbraw/zinc/77/59/85/827775985.db2.gz FBCYZKYWONGWLO-FIQHERPVSA-N 2 1 253.346 -0.786 20 0 CBADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)[C@@H]2C1 ZINC001272273047 827775988 /nfs/dbraw/zinc/77/59/88/827775988.db2.gz FBCYZKYWONGWLO-FIQHERPVSA-N 2 1 253.346 -0.786 20 0 CBADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)[C@@H]2C1 ZINC001272273047 827775998 /nfs/dbraw/zinc/77/59/98/827775998.db2.gz FBCYZKYWONGWLO-FIQHERPVSA-N 2 1 253.346 -0.786 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C ZINC001272273568 827776425 /nfs/dbraw/zinc/77/64/25/827776425.db2.gz QSAWKQFRYSFWMC-BJDJZHNGSA-N 2 1 253.346 -0.644 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C ZINC001272273568 827776430 /nfs/dbraw/zinc/77/64/30/827776430.db2.gz QSAWKQFRYSFWMC-BJDJZHNGSA-N 2 1 253.346 -0.644 20 0 CBADMP C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C ZINC001272273568 827776439 /nfs/dbraw/zinc/77/64/39/827776439.db2.gz QSAWKQFRYSFWMC-BJDJZHNGSA-N 2 1 253.346 -0.644 20 0 CBADMP C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)C[N@H+]1C ZINC001272273568 827776445 /nfs/dbraw/zinc/77/64/45/827776445.db2.gz QSAWKQFRYSFWMC-BJDJZHNGSA-N 2 1 253.346 -0.644 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCOC1CCC1 ZINC001272381903 827790074 /nfs/dbraw/zinc/79/00/74/827790074.db2.gz XZVOEIJTOQZWEJ-JSGCOSHPSA-N 2 1 299.415 -0.284 20 0 CBADMP CCC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001272558750 827820280 /nfs/dbraw/zinc/82/02/80/827820280.db2.gz BFNCCDFCDPNMDX-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001272555621 827821277 /nfs/dbraw/zinc/82/12/77/827821277.db2.gz OLYDAYVUPVPOMX-XQQFMLRXSA-N 2 1 266.389 -0.463 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001272555621 827821287 /nfs/dbraw/zinc/82/12/87/827821287.db2.gz OLYDAYVUPVPOMX-XQQFMLRXSA-N 2 1 266.389 -0.463 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001272555621 827821297 /nfs/dbraw/zinc/82/12/97/827821297.db2.gz OLYDAYVUPVPOMX-XQQFMLRXSA-N 2 1 266.389 -0.463 20 0 CBADMP C[C@@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001272689158 827834379 /nfs/dbraw/zinc/83/43/79/827834379.db2.gz YCFIXOLRRNDOCH-WDEREUQCSA-N 2 1 295.391 -0.711 20 0 CBADMP C[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](O)C3)C2)C1 ZINC001273068804 827860099 /nfs/dbraw/zinc/86/00/99/827860099.db2.gz CAKCPPJRGAWNTH-LLVKDONJSA-N 2 1 253.346 -0.783 20 0 CBADMP C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC001273068804 827860103 /nfs/dbraw/zinc/86/01/03/827860103.db2.gz CAKCPPJRGAWNTH-LLVKDONJSA-N 2 1 253.346 -0.783 20 0 CBADMP C[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)C1 ZINC001273068804 827860108 /nfs/dbraw/zinc/86/01/08/827860108.db2.gz CAKCPPJRGAWNTH-LLVKDONJSA-N 2 1 253.346 -0.783 20 0 CBADMP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273175970 827871789 /nfs/dbraw/zinc/87/17/89/827871789.db2.gz NLJXVRCDOCCIJG-QWRGUYRKSA-N 2 1 270.377 -0.832 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)C[NH+]1CCC1 ZINC001273367119 827894569 /nfs/dbraw/zinc/89/45/69/827894569.db2.gz OPAIEHBDFDWTHX-BETUJISGSA-N 2 1 266.389 -0.461 20 0 CBADMP C[NH+](C)CCN1CCC12CN(C(=O)C[NH+]1CCC1)C2 ZINC001273367530 827895212 /nfs/dbraw/zinc/89/52/12/827895212.db2.gz UQYHZCFBPAGHLF-UHFFFAOYSA-N 2 1 266.389 -0.460 20 0 CBADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](C)C2 ZINC001273516782 827906566 /nfs/dbraw/zinc/90/65/66/827906566.db2.gz FOBFOCGSIFQRAP-ZDUSSCGKSA-N 2 1 255.362 -0.271 20 0 CBADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](C)C2 ZINC001273516780 827906853 /nfs/dbraw/zinc/90/68/53/827906853.db2.gz FOBFOCGSIFQRAP-CYBMUJFWSA-N 2 1 255.362 -0.271 20 0 CBADMP CCN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001273652927 827915534 /nfs/dbraw/zinc/91/55/34/827915534.db2.gz JTAWHRYRRIVJJF-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP CC(=O)NCC[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273999483 827950783 /nfs/dbraw/zinc/95/07/83/827950783.db2.gz LHQGMNFVUJYUFD-OAHLLOKOSA-N 2 1 296.415 -0.392 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001274047835 827955597 /nfs/dbraw/zinc/95/55/97/827955597.db2.gz UFBDSKQIIHGNCU-JHJVBQTASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274047910 827955663 /nfs/dbraw/zinc/95/56/63/827955663.db2.gz VNFSWHPOMZBZRE-GXTWGEPZSA-N 2 1 285.388 -0.768 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001274072877 827965245 /nfs/dbraw/zinc/96/52/45/827965245.db2.gz IGIAURFXZDUUJC-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CNC(=O)C[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001274498643 827995248 /nfs/dbraw/zinc/99/52/48/827995248.db2.gz PNKSMYBZLBFHOO-VSQXVHSFSA-N 2 1 282.388 -0.664 20 0 CBADMP CNC(=O)C[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001274498640 827995442 /nfs/dbraw/zinc/99/54/42/827995442.db2.gz PNKSMYBZLBFHOO-AAOUONPWSA-N 2 1 282.388 -0.664 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CCCO)C1 ZINC001274579173 828003295 /nfs/dbraw/zinc/00/32/95/828003295.db2.gz RIUITQDCPPVVOR-ZZKXABKFSA-N 2 1 255.362 -0.418 20 0 CBADMP C[C@@H](C[NH2+]CCCO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001275406614 828084854 /nfs/dbraw/zinc/08/48/54/828084854.db2.gz OUBCKAIFMJHUIP-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C)CC3)[C@H]2C1 ZINC001275047260 828051370 /nfs/dbraw/zinc/05/13/70/828051370.db2.gz RZNUBROYJUQPOI-STQMWFEESA-N 2 1 280.416 -0.310 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCO)C1 ZINC001275054343 828051431 /nfs/dbraw/zinc/05/14/31/828051431.db2.gz OVAVFJIWLXWVGQ-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@@H+]2C[C@@H]1CCOC1 ZINC001275170884 828062004 /nfs/dbraw/zinc/06/20/04/828062004.db2.gz FLNDTKPEZWATEY-SOUVJXGZSA-N 2 1 283.416 -0.031 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@H+]2C[C@@H]1CCOC1 ZINC001275170884 828062014 /nfs/dbraw/zinc/06/20/14/828062014.db2.gz FLNDTKPEZWATEY-SOUVJXGZSA-N 2 1 283.416 -0.031 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](C[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001275188192 828063958 /nfs/dbraw/zinc/06/39/58/828063958.db2.gz NDRNAUXDEXMHBM-MELADBBJSA-N 2 1 280.416 -0.167 20 0 CBADMP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CN(CC[NH+](C)C)C2 ZINC001275199891 828068428 /nfs/dbraw/zinc/06/84/28/828068428.db2.gz WTGVWYZQMFGSRK-BETUJISGSA-N 2 1 268.405 -0.215 20 0 CBADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CN(CC[NH+](C)C)C2 ZINC001275199891 828068437 /nfs/dbraw/zinc/06/84/37/828068437.db2.gz WTGVWYZQMFGSRK-BETUJISGSA-N 2 1 268.405 -0.215 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC(C[NH2+]CCCO)C2)C1 ZINC001275324404 828079406 /nfs/dbraw/zinc/07/94/06/828079406.db2.gz WBYXHKAOAFEYLT-RUXDESIVSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC(C[NH2+]CCCO)C2)C1 ZINC001275324404 828079413 /nfs/dbraw/zinc/07/94/13/828079413.db2.gz WBYXHKAOAFEYLT-RUXDESIVSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001275623681 828104547 /nfs/dbraw/zinc/10/45/47/828104547.db2.gz YJXOXWWNIVMGDA-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](C[NH+](C)CCO)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001275623681 828104548 /nfs/dbraw/zinc/10/45/48/828104548.db2.gz YJXOXWWNIVMGDA-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](C[NH+](C)CCO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001275623681 828104550 /nfs/dbraw/zinc/10/45/50/828104550.db2.gz YJXOXWWNIVMGDA-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)CCCO ZINC001275793855 828115619 /nfs/dbraw/zinc/11/56/19/828115619.db2.gz WFPIITALIVBKSO-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)CCCO ZINC001275793855 828115621 /nfs/dbraw/zinc/11/56/21/828115621.db2.gz WFPIITALIVBKSO-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)CCCO ZINC001275793855 828115624 /nfs/dbraw/zinc/11/56/24/828115624.db2.gz WFPIITALIVBKSO-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)CC(N)=O ZINC001275969390 828125937 /nfs/dbraw/zinc/12/59/37/828125937.db2.gz CAISLQZINQDRGA-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001275969390 828125939 /nfs/dbraw/zinc/12/59/39/828125939.db2.gz CAISLQZINQDRGA-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001275969390 828125941 /nfs/dbraw/zinc/12/59/41/828125941.db2.gz CAISLQZINQDRGA-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)CC(N)=O ZINC001275969390 828125943 /nfs/dbraw/zinc/12/59/43/828125943.db2.gz CAISLQZINQDRGA-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O ZINC001275969390 828125947 /nfs/dbraw/zinc/12/59/47/828125947.db2.gz CAISLQZINQDRGA-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001276076411 828133199 /nfs/dbraw/zinc/13/31/99/828133199.db2.gz OWPFJQVPMZYZTC-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCCC[C@@H](C[NH2+]CCO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001276249677 828139453 /nfs/dbraw/zinc/13/94/53/828139453.db2.gz GXCCFOHIVJLUJH-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP CCCC[C@@H](C[NH2+]CCO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001276249677 828139457 /nfs/dbraw/zinc/13/94/57/828139457.db2.gz GXCCFOHIVJLUJH-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP C[NH+](C)CCN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001276463184 828147095 /nfs/dbraw/zinc/14/70/95/828147095.db2.gz DENHLCFHJOIAKP-STQMWFEESA-N 2 1 280.416 -0.310 20 0 CBADMP CN(C)CC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001276463184 828147097 /nfs/dbraw/zinc/14/70/97/828147097.db2.gz DENHLCFHJOIAKP-STQMWFEESA-N 2 1 280.416 -0.310 20 0 CBADMP CN(C)CC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001276463184 828147101 /nfs/dbraw/zinc/14/71/01/828147101.db2.gz DENHLCFHJOIAKP-STQMWFEESA-N 2 1 280.416 -0.310 20 0 CBADMP COC(=O)[C@@H](C)C[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001276523283 828148190 /nfs/dbraw/zinc/14/81/90/828148190.db2.gz MGYXZAGIAGTKJI-MELADBBJSA-N 2 1 299.415 -0.258 20 0 CBADMP COC(=O)[C@@H](C)C[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001276523283 828148192 /nfs/dbraw/zinc/14/81/92/828148192.db2.gz MGYXZAGIAGTKJI-MELADBBJSA-N 2 1 299.415 -0.258 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001276642613 828153863 /nfs/dbraw/zinc/15/38/63/828153863.db2.gz QJLIERVXXITBNN-WDEREUQCSA-N 2 1 268.361 -0.950 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001276963921 828168874 /nfs/dbraw/zinc/16/88/74/828168874.db2.gz NVEUVJZVNIPFIW-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001276963921 828168866 /nfs/dbraw/zinc/16/88/66/828168866.db2.gz NVEUVJZVNIPFIW-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1CCCO ZINC001276963921 828168860 /nfs/dbraw/zinc/16/88/60/828168860.db2.gz NVEUVJZVNIPFIW-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CCOCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001277252590 828180934 /nfs/dbraw/zinc/18/09/34/828180934.db2.gz LQSJHPXQAVQGNW-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP CCOCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001277252590 828180935 /nfs/dbraw/zinc/18/09/35/828180935.db2.gz LQSJHPXQAVQGNW-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001277299120 828182020 /nfs/dbraw/zinc/18/20/20/828182020.db2.gz MJNACKCGTNLZPG-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP CCOCC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277859567 828214737 /nfs/dbraw/zinc/21/47/37/828214737.db2.gz ZOGYPFLKCPHZPN-KBPBESRZSA-N 2 1 271.405 -0.031 20 0 CBADMP COC(=O)CC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277872697 828215693 /nfs/dbraw/zinc/21/56/93/828215693.db2.gz YGKCDERARSDAAQ-STQMWFEESA-N 2 1 285.388 -0.504 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277959940 828222755 /nfs/dbraw/zinc/22/27/55/828222755.db2.gz DETKVXCQMXFOPY-RWMBFGLXSA-N 2 1 257.378 -0.686 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277961036 828223698 /nfs/dbraw/zinc/22/36/98/828223698.db2.gz PZJDDUXAZNFNES-XQQFMLRXSA-N 2 1 257.378 -0.686 20 0 CBADMP CCNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001278027922 828231706 /nfs/dbraw/zinc/23/17/06/828231706.db2.gz YDKXBHVYNRJILI-VXGBXAGGSA-N 2 1 294.399 -0.735 20 0 CBADMP CCNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001278027922 828231708 /nfs/dbraw/zinc/23/17/08/828231708.db2.gz YDKXBHVYNRJILI-VXGBXAGGSA-N 2 1 294.399 -0.735 20 0 CBADMP CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001278077312 828241907 /nfs/dbraw/zinc/24/19/07/828241907.db2.gz IFWIYAYRYQOYGZ-VXGBXAGGSA-N 2 1 257.378 -0.054 20 0 CBADMP COCCC[NH2+][C@@H](CO)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001278186287 828256784 /nfs/dbraw/zinc/25/67/84/828256784.db2.gz BZRSDJFGDYGKRT-HIFRSBDPSA-N 2 1 299.415 -0.425 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1=CC[N@H+](CCO)CC1 ZINC001279601060 828331135 /nfs/dbraw/zinc/33/11/35/828331135.db2.gz WXCDAWDLCONCFB-UHFFFAOYSA-N 2 1 278.356 -0.068 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001279601060 828331144 /nfs/dbraw/zinc/33/11/44/828331144.db2.gz WXCDAWDLCONCFB-UHFFFAOYSA-N 2 1 278.356 -0.068 20 0 CBADMP NC(=O)CC[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC001326583391 885073968 /nfs/dbraw/zinc/07/39/68/885073968.db2.gz IIXOJGZSTWVBQI-CYBMUJFWSA-N 2 1 268.405 -0.131 20 0 CBADMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC001327087007 885252151 /nfs/dbraw/zinc/25/21/51/885252151.db2.gz JHFOJGSWKDZRRQ-LBPRGKRZSA-N 2 1 282.388 -0.604 20 0 CBADMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC001327087007 885252161 /nfs/dbraw/zinc/25/21/61/885252161.db2.gz JHFOJGSWKDZRRQ-LBPRGKRZSA-N 2 1 282.388 -0.604 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCO)CCOCC1 ZINC001327621836 885431338 /nfs/dbraw/zinc/43/13/38/885431338.db2.gz LSDKJSCWSIRADL-GFCCVEGCSA-N 2 1 285.388 -0.672 20 0 CBADMP OC[C@H]1CCC[N@@H+]1Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001327786263 885478033 /nfs/dbraw/zinc/47/80/33/885478033.db2.gz RCQGGXIFDIBAOP-NWDGAFQWSA-N 2 1 251.334 -0.231 20 0 CBADMP OC[C@H]1CCC[N@H+]1Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001327786263 885478038 /nfs/dbraw/zinc/47/80/38/885478038.db2.gz RCQGGXIFDIBAOP-NWDGAFQWSA-N 2 1 251.334 -0.231 20 0 CBADMP CC[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCOC1 ZINC001328490105 885705695 /nfs/dbraw/zinc/70/56/95/885705695.db2.gz IBGHVDMRDSHOAQ-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](C[NH3+])C2)C1 ZINC001329429064 886064484 /nfs/dbraw/zinc/06/44/84/886064484.db2.gz YOFFLTMRUBWRMM-NEPJUHHUSA-N 2 1 254.378 -0.536 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC001329702335 886181865 /nfs/dbraw/zinc/18/18/65/886181865.db2.gz PABXPKCQKWQBTI-QWRGUYRKSA-N 3 1 280.338 -0.039 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC001329702335 886181869 /nfs/dbraw/zinc/18/18/69/886181869.db2.gz PABXPKCQKWQBTI-QWRGUYRKSA-N 3 1 280.338 -0.039 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001330024515 886332587 /nfs/dbraw/zinc/33/25/87/886332587.db2.gz RFTDWLJVOICEBO-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001331320781 886777243 /nfs/dbraw/zinc/77/72/43/886777243.db2.gz XSALKNAFPOVKLP-GARJFASQSA-N 2 1 282.388 -0.419 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001331637481 886877359 /nfs/dbraw/zinc/87/73/59/886877359.db2.gz OENFOWRDSREVMJ-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001331637481 886877372 /nfs/dbraw/zinc/87/73/72/886877372.db2.gz OENFOWRDSREVMJ-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001331687036 886907506 /nfs/dbraw/zinc/90/75/06/886907506.db2.gz YLCVLFIYOHCPRE-OLZOCXBDSA-N 2 1 269.389 -0.053 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CCC1 ZINC001331687037 886907800 /nfs/dbraw/zinc/90/78/00/886907800.db2.gz YLCVLFIYOHCPRE-QWHCGFSZSA-N 2 1 269.389 -0.053 20 0 CBADMP NS(=O)(=O)C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001332334568 887207837 /nfs/dbraw/zinc/20/78/37/887207837.db2.gz MJUASWFFBWMHCB-NSHDSACASA-N 2 1 261.391 -0.404 20 0 CBADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCOC12CCOCC2 ZINC001332391870 887254034 /nfs/dbraw/zinc/25/40/34/887254034.db2.gz WCFLGLZTUYQXCK-NWDGAFQWSA-N 2 1 258.362 -0.163 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001333000130 887498840 /nfs/dbraw/zinc/49/88/40/887498840.db2.gz LUHIQZNJCRMAFU-YUSALJHKSA-N 2 1 266.345 -0.215 20 0 CBADMP CC[N@H+]1CCC[C@@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC001333636403 887728045 /nfs/dbraw/zinc/72/80/45/887728045.db2.gz QXVUAYVJUSGPDM-WDEREUQCSA-N 2 1 268.361 -0.062 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCCC[NH3+])CC[C@H]21 ZINC001333957524 887817614 /nfs/dbraw/zinc/81/76/14/887817614.db2.gz CEJQQJUZVYRTOM-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+](C)CC1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC001334154225 887878048 /nfs/dbraw/zinc/87/80/48/887878048.db2.gz JRONXNQZGOHHHE-YPMHNXCESA-N 2 1 255.362 -0.539 20 0 CBADMP NS(=O)(=O)C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC001334337781 887924898 /nfs/dbraw/zinc/92/48/98/887924898.db2.gz KQJGHNUULPXFIX-WDEREUQCSA-N 2 1 261.391 -0.404 20 0 CBADMP COC[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001334339065 887928494 /nfs/dbraw/zinc/92/84/94/887928494.db2.gz VCZDQALRPMXXBI-NEPJUHHUSA-N 2 1 256.346 -0.288 20 0 CBADMP COC[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001334339065 887928498 /nfs/dbraw/zinc/92/84/98/887928498.db2.gz VCZDQALRPMXXBI-NEPJUHHUSA-N 2 1 256.346 -0.288 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N(C)[C@@H]3CC[NH2+]C3)cc2C[NH2+]1 ZINC001336688594 888844971 /nfs/dbraw/zinc/84/49/71/888844971.db2.gz ZXNSVBCQHVMXRU-NXEZZACHSA-N 2 1 263.345 -0.191 20 0 CBADMP CCN1C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1=O ZINC001336778146 888877808 /nfs/dbraw/zinc/87/78/08/888877808.db2.gz FOKLBVDEJBVBJD-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP CCN1C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC001336778146 888877820 /nfs/dbraw/zinc/87/78/20/888877820.db2.gz FOKLBVDEJBVBJD-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP CN(CC[NH3+])C(=O)NCCCCC[NH+]1CCNCC1 ZINC001336981284 888939401 /nfs/dbraw/zinc/93/94/01/888939401.db2.gz NOQDIYRQZYSTML-UHFFFAOYSA-N 2 1 271.409 -0.338 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001337455356 889013895 /nfs/dbraw/zinc/01/38/95/889013895.db2.gz KRINIKNHUAMXSH-TXEJJXNPSA-N 2 1 284.404 -0.312 20 0 CBADMP C[NH+]1CCC([NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC001337856320 889090044 /nfs/dbraw/zinc/09/00/44/889090044.db2.gz UWGVYIXVWJSVLG-QWHCGFSZSA-N 2 1 258.362 -0.427 20 0 CBADMP [NH3+]C[C@@H](NC(=O)C[NH+]1CCC(CO)CC1)C1CC1 ZINC001339859824 889332792 /nfs/dbraw/zinc/33/27/92/889332792.db2.gz YBFPDBBFBOIZFH-GFCCVEGCSA-N 2 1 255.362 -0.456 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001340891621 889506023 /nfs/dbraw/zinc/50/60/23/889506023.db2.gz BAGNPTIOYPLEKM-DJIHRAIXSA-N 2 1 269.389 -0.198 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC[N@H+]1C ZINC001341369426 889582862 /nfs/dbraw/zinc/58/28/62/889582862.db2.gz SFFOPDRJHZSCDW-GMTAPVOTSA-N 2 1 253.346 -0.426 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)N1CC[NH+](C)CC1 ZINC001341648640 889639206 /nfs/dbraw/zinc/63/92/06/889639206.db2.gz WJWKJBWBCHVRLA-AGIUHOORSA-N 2 1 268.405 -0.406 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001341763554 889660802 /nfs/dbraw/zinc/66/08/02/889660802.db2.gz FERKXJMUGONKQX-GRYCIOLGSA-N 2 1 254.378 -0.511 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[N@H+]1C ZINC001341856290 889675617 /nfs/dbraw/zinc/67/56/17/889675617.db2.gz BMFBCOPVMUGVIA-NQBHXWOUSA-N 2 1 255.362 -0.361 20 0 CBADMP CC1(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C[NH2+]C1 ZINC001341924383 889683110 /nfs/dbraw/zinc/68/31/10/889683110.db2.gz RYMJLPJEYBKWQT-NEPJUHHUSA-N 2 1 267.373 -0.347 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001341940426 889686609 /nfs/dbraw/zinc/68/66/09/889686609.db2.gz IPKJESGEDZVFGU-GRYCIOLGSA-N 2 1 256.394 -0.265 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[NH2+]CC23CC3)C1 ZINC001342099512 889711121 /nfs/dbraw/zinc/71/11/21/889711121.db2.gz MVFKDRPHNPXVRB-MNOVXSKESA-N 2 1 253.346 -0.425 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[NH2+]CC23CC3)C1 ZINC001342099512 889711137 /nfs/dbraw/zinc/71/11/37/889711137.db2.gz MVFKDRPHNPXVRB-MNOVXSKESA-N 2 1 253.346 -0.425 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001443842248 912282182 /nfs/dbraw/zinc/28/21/82/912282182.db2.gz JVVWFBQMLCZYKU-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001443842248 912282189 /nfs/dbraw/zinc/28/21/89/912282189.db2.gz JVVWFBQMLCZYKU-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001443842248 912282200 /nfs/dbraw/zinc/28/22/00/912282200.db2.gz JVVWFBQMLCZYKU-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001443842248 912282205 /nfs/dbraw/zinc/28/22/05/912282205.db2.gz JVVWFBQMLCZYKU-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001443836308 912286895 /nfs/dbraw/zinc/28/68/95/912286895.db2.gz KWTFDWXZUFHPHG-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001443836308 912286910 /nfs/dbraw/zinc/28/69/10/912286910.db2.gz KWTFDWXZUFHPHG-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001443836308 912286927 /nfs/dbraw/zinc/28/69/27/912286927.db2.gz KWTFDWXZUFHPHG-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001443836308 912286946 /nfs/dbraw/zinc/28/69/46/912286946.db2.gz KWTFDWXZUFHPHG-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]C)CC[N@H+]1C ZINC001342267079 889743639 /nfs/dbraw/zinc/74/36/39/889743639.db2.gz OAJPHINRPDMTKY-GRYCIOLGSA-N 2 1 257.378 -0.245 20 0 CBADMP CC[C@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+]CC(=O)N(C)C ZINC001443962658 912311258 /nfs/dbraw/zinc/31/12/58/912311258.db2.gz QZQKLXJTINOONR-GFCCVEGCSA-N 2 1 295.387 -0.236 20 0 CBADMP C[C@H]1[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)CC[N@H+]1C ZINC001342569260 889792742 /nfs/dbraw/zinc/79/27/42/889792742.db2.gz IQYGXKNCZSVHSQ-UWVGGRQHSA-N 2 1 266.349 -0.551 20 0 CBADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@H](C)C(=O)NC ZINC001444030972 912331452 /nfs/dbraw/zinc/33/14/52/912331452.db2.gz DFKADQKWWBNFJK-ZYHUDNBSSA-N 2 1 295.387 -0.190 20 0 CBADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC001343024750 889859718 /nfs/dbraw/zinc/85/97/18/889859718.db2.gz FIWYWLQIMVUUKK-KCJUWKMLSA-N 2 1 267.308 -0.128 20 0 CBADMP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001343036930 889859974 /nfs/dbraw/zinc/85/99/74/889859974.db2.gz ISQMARFVRWDJAK-JHJVBQTASA-N 2 1 268.405 -0.136 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC001343055397 889862327 /nfs/dbraw/zinc/86/23/27/889862327.db2.gz OFFHABOOWWZRNK-SNVBAGLBSA-N 2 1 268.361 -0.062 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001343391023 889898224 /nfs/dbraw/zinc/89/82/24/889898224.db2.gz CLEXFHWVDRFSLZ-CQSZACIVSA-N 2 1 287.404 -0.425 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001343394436 889899403 /nfs/dbraw/zinc/89/94/03/889899403.db2.gz ZEMBQFDNPNOUBB-DGCLKSJQSA-N 2 1 255.362 -0.441 20 0 CBADMP [NH3+]C[C@@H](O)CC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC001343407624 889902038 /nfs/dbraw/zinc/90/20/38/889902038.db2.gz HHLIGCIHVCVDEH-ZDUSSCGKSA-N 2 1 263.341 -0.172 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1(C[NH3+])CC(O)C1 ZINC001343444825 889909788 /nfs/dbraw/zinc/90/97/88/889909788.db2.gz MPIAQUSYSQWZNV-PIKCZWBCSA-N 2 1 267.373 -0.315 20 0 CBADMP C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001343581617 889936391 /nfs/dbraw/zinc/93/63/91/889936391.db2.gz CPMIKFJCWBRHLM-AGIUHOORSA-N 2 1 268.405 -0.264 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001444363993 912433809 /nfs/dbraw/zinc/43/38/09/912433809.db2.gz MNZNUTDVNFKQCE-SNVBAGLBSA-N 2 1 281.360 -0.721 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC001444501378 912456308 /nfs/dbraw/zinc/45/63/08/912456308.db2.gz OBIJNAPKSNCJNX-CHWSQXEVSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001444501378 912456318 /nfs/dbraw/zinc/45/63/18/912456318.db2.gz OBIJNAPKSNCJNX-CHWSQXEVSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001444717452 912497622 /nfs/dbraw/zinc/49/76/22/912497622.db2.gz HRENLEFYXHKFND-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001444763069 912503889 /nfs/dbraw/zinc/50/38/89/912503889.db2.gz WHQRATQPUGRXEY-QWHCGFSZSA-N 2 1 298.431 -0.066 20 0 CBADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC001345185509 890108353 /nfs/dbraw/zinc/10/83/53/890108353.db2.gz WKUWYLIFRSRGQG-CHWSQXEVSA-N 2 1 269.345 -0.316 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001445026740 912543221 /nfs/dbraw/zinc/54/32/21/912543221.db2.gz LYRTUCUQPRKIJK-LBPRGKRZSA-N 2 1 284.404 -0.441 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001445026740 912543229 /nfs/dbraw/zinc/54/32/29/912543229.db2.gz LYRTUCUQPRKIJK-LBPRGKRZSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001445060486 912549649 /nfs/dbraw/zinc/54/96/49/912549649.db2.gz CADKCBLVODNMSK-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001445060486 912549662 /nfs/dbraw/zinc/54/96/62/912549662.db2.gz CADKCBLVODNMSK-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445060486 912549676 /nfs/dbraw/zinc/54/96/76/912549676.db2.gz CADKCBLVODNMSK-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001445060486 912549691 /nfs/dbraw/zinc/54/96/91/912549691.db2.gz CADKCBLVODNMSK-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001445151622 912582026 /nfs/dbraw/zinc/58/20/26/912582026.db2.gz JCUUBTVSBBVFIU-OLZOCXBDSA-N 2 1 295.387 -0.919 20 0 CBADMP C[N@@H+]1CCN(C(=O)CCSCCC[NH3+])[C@H](CO)C1 ZINC001346227560 890244205 /nfs/dbraw/zinc/24/42/05/890244205.db2.gz BIYSXILTJCUTAW-NSHDSACASA-N 2 1 275.418 -0.407 20 0 CBADMP C[N@H+]1CCN(C(=O)CCSCCC[NH3+])[C@H](CO)C1 ZINC001346227560 890244222 /nfs/dbraw/zinc/24/42/22/890244222.db2.gz BIYSXILTJCUTAW-NSHDSACASA-N 2 1 275.418 -0.407 20 0 CBADMP C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CN(C)CCN1C ZINC001346228791 890244276 /nfs/dbraw/zinc/24/42/76/890244276.db2.gz MEZGFYYOSILBMF-NNYUYHANSA-N 2 1 254.378 -0.526 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1)[NH+](C)C ZINC001445256256 912616370 /nfs/dbraw/zinc/61/63/70/912616370.db2.gz ALVZFUAXUNWRIE-STQMWFEESA-N 2 1 298.387 -0.173 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)C[N@@H+](C)C(C)C ZINC001445335945 912636745 /nfs/dbraw/zinc/63/67/45/912636745.db2.gz WBCMIYOFPWRYCQ-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001445479750 912671855 /nfs/dbraw/zinc/67/18/55/912671855.db2.gz GHWWHGCJESRXPS-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001445480740 912676221 /nfs/dbraw/zinc/67/62/21/912676221.db2.gz JJGMZPZAEUJPOY-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001445527699 912687990 /nfs/dbraw/zinc/68/79/90/912687990.db2.gz GJLQCXFVSVPFHV-JQWIXIFHSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001445564147 912700465 /nfs/dbraw/zinc/70/04/65/912700465.db2.gz GQNGVZFRXYWQNT-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001445564147 912700474 /nfs/dbraw/zinc/70/04/74/912700474.db2.gz GQNGVZFRXYWQNT-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445650421 912724178 /nfs/dbraw/zinc/72/41/78/912724178.db2.gz VWCXAJFXCOKBEW-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[C@H]([NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)C(N)=O ZINC001445655345 912729956 /nfs/dbraw/zinc/72/99/56/912729956.db2.gz KABDDUUQZLDKBH-QWRGUYRKSA-N 2 1 272.393 -0.315 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001445661021 912729416 /nfs/dbraw/zinc/72/94/16/912729416.db2.gz YUJZOLREJRQPKJ-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001445871167 912774075 /nfs/dbraw/zinc/77/40/75/912774075.db2.gz OPSNZLMDISLBIW-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001445871167 912774082 /nfs/dbraw/zinc/77/40/82/912774082.db2.gz OPSNZLMDISLBIW-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445871167 912774090 /nfs/dbraw/zinc/77/40/90/912774090.db2.gz OPSNZLMDISLBIW-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445871167 912774101 /nfs/dbraw/zinc/77/41/01/912774101.db2.gz OPSNZLMDISLBIW-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP Cn1cnnc1C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001445971370 912792719 /nfs/dbraw/zinc/79/27/19/912792719.db2.gz RNPXIMYJFBKRDV-LBPRGKRZSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@@H]([NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CC1)C(N)=O ZINC001446227256 912844434 /nfs/dbraw/zinc/84/44/34/912844434.db2.gz RZPNFSLELDINDX-LLVKDONJSA-N 2 1 293.371 -0.306 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001446229843 912845681 /nfs/dbraw/zinc/84/56/81/912845681.db2.gz DHSSFQCYEYEJFK-RYUDHWBXSA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCO)C1 ZINC001091100401 884647843 /nfs/dbraw/zinc/64/78/43/884647843.db2.gz SAUNOEVAHDKUAE-BPCQOVAHSA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CC(=O)N(C)C)CC2)C1 ZINC001446250052 912848954 /nfs/dbraw/zinc/84/89/54/912848954.db2.gz OFBXGAGLZOMDSI-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001188146143 884721367 /nfs/dbraw/zinc/72/13/67/884721367.db2.gz WAAWEDRMWJNNLF-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001188145964 884721771 /nfs/dbraw/zinc/72/17/71/884721771.db2.gz TXZVFMBLBBCWRW-VXGBXAGGSA-N 2 1 282.388 -0.594 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001446299307 912858737 /nfs/dbraw/zinc/85/87/37/912858737.db2.gz OPCROUUFBGNMMI-LLVKDONJSA-N 2 1 282.388 -0.547 20 0 CBADMP CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001206464531 884758277 /nfs/dbraw/zinc/75/82/77/884758277.db2.gz PWVFTHPAVSFCHQ-FRRDWIJNSA-N 2 1 255.362 -0.504 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315629 884762128 /nfs/dbraw/zinc/76/21/28/884762128.db2.gz UOPUEALMHLJIRT-JHJVBQTASA-N 2 1 287.404 -0.618 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001210810675 884766042 /nfs/dbraw/zinc/76/60/42/884766042.db2.gz CKOIEHINGFSTPD-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1C ZINC001211370112 884773125 /nfs/dbraw/zinc/77/31/25/884773125.db2.gz XTWFFJQHPCOYPL-CHWSQXEVSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1C ZINC001211370112 884773140 /nfs/dbraw/zinc/77/31/40/884773140.db2.gz XTWFFJQHPCOYPL-CHWSQXEVSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C ZINC001211370112 884773151 /nfs/dbraw/zinc/77/31/51/884773151.db2.gz XTWFFJQHPCOYPL-CHWSQXEVSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C ZINC001211370112 884773158 /nfs/dbraw/zinc/77/31/58/884773158.db2.gz XTWFFJQHPCOYPL-CHWSQXEVSA-N 2 1 298.431 -0.149 20 0 CBADMP COCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374622 884778471 /nfs/dbraw/zinc/77/84/71/884778471.db2.gz ODMCUFGAOXVPMW-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1[NH2+]CC[C@H]1O ZINC001219795550 884792080 /nfs/dbraw/zinc/79/20/80/884792080.db2.gz CNMLUOHWBNRIBN-KGLIPLIRSA-N 2 1 296.415 -0.958 20 0 CBADMP [NH3+]Cc1nc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC001326085133 884901443 /nfs/dbraw/zinc/90/14/43/884901443.db2.gz XQBXUCBQNFNXFU-OCAPTIKFSA-N 2 1 252.343 -0.107 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1 ZINC001326352729 885001502 /nfs/dbraw/zinc/00/15/02/885001502.db2.gz JSCOPFDUAVSJFC-VHSXEESVSA-N 2 1 263.345 -0.080 20 0 CBADMP C[C@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC[C@@H]1[NH3+] ZINC001326370405 885009057 /nfs/dbraw/zinc/00/90/57/885009057.db2.gz VHTLMTVTTHMTBR-WPRPVWTQSA-N 2 1 263.345 -0.135 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001326407430 885021570 /nfs/dbraw/zinc/02/15/70/885021570.db2.gz CXMQRBTUSOHKMF-WDNDVIMCSA-N 2 1 280.416 -0.404 20 0 CBADMP CCOCCN1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC001326420722 885025053 /nfs/dbraw/zinc/02/50/53/885025053.db2.gz IQCLPZQSJCZFHB-UHFFFAOYSA-N 2 1 270.421 -0.454 20 0 CBADMP C[NH2+]C[C@@](C)(O)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001326487306 885046719 /nfs/dbraw/zinc/04/67/19/885046719.db2.gz LLQMYIJLCNXCEJ-LSDHHAIUSA-N 2 1 284.448 -0.331 20 0 CBADMP COC(=O)C1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001326595029 885078332 /nfs/dbraw/zinc/07/83/32/885078332.db2.gz GCGPZPLAPIUCRY-UHFFFAOYSA-N 2 1 269.345 -0.697 20 0 CBADMP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1 ZINC001326596795 885082219 /nfs/dbraw/zinc/08/22/19/885082219.db2.gz NWCRZZFUWUEBDI-GDBMZVCRSA-N 3 1 296.459 -0.165 20 0 CBADMP C[C@@H]([NH2+]C[C@@H](O)CN1CCN(C)CC1)C1=CC[N@H+](C)CC1 ZINC001326596795 885082234 /nfs/dbraw/zinc/08/22/34/885082234.db2.gz NWCRZZFUWUEBDI-GDBMZVCRSA-N 2 1 296.459 -0.165 20 0 CBADMP C[C@@H]([NH2+]C[C@@H](O)CN1CCN(C)CC1)C1=CC[N@@H+](C)CC1 ZINC001326596795 885082249 /nfs/dbraw/zinc/08/22/49/885082249.db2.gz NWCRZZFUWUEBDI-GDBMZVCRSA-N 2 1 296.459 -0.165 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCO)C1 ZINC001326773773 885138431 /nfs/dbraw/zinc/13/84/31/885138431.db2.gz JXSYLJSHPUEDNU-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCO)C1 ZINC001326773773 885138439 /nfs/dbraw/zinc/13/84/39/885138439.db2.gz JXSYLJSHPUEDNU-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCCO)C1 ZINC001326959890 885203647 /nfs/dbraw/zinc/20/36/47/885203647.db2.gz YWHCPCYTEGRORR-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001326988878 885213269 /nfs/dbraw/zinc/21/32/69/885213269.db2.gz DSRONJZLCIGGJS-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001446577267 912910743 /nfs/dbraw/zinc/91/07/43/912910743.db2.gz WWGKDYLJCWZMGU-SMDDNHRTSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001446581248 912912392 /nfs/dbraw/zinc/91/23/92/912912392.db2.gz WHEAGKFKGFPBKB-IUODEOHRSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH2+][C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC001327059348 885239946 /nfs/dbraw/zinc/23/99/46/885239946.db2.gz JVPSIBNFPGKAHZ-ZYHUDNBSSA-N 2 1 265.361 -0.204 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001327064021 885240477 /nfs/dbraw/zinc/24/04/77/885240477.db2.gz LIMONUBBQPQTHM-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001446630387 912914714 /nfs/dbraw/zinc/91/47/14/912914714.db2.gz XAIWFHDLONHWLD-AWEZNQCLSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[NH+]1CCN(CCCCNC(=O)COCC[NH3+])CC1 ZINC001327195405 885282451 /nfs/dbraw/zinc/28/24/51/885282451.db2.gz DNUACEOKYJENBF-UHFFFAOYSA-N 2 1 286.420 -0.504 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])CC[N@H+]1C ZINC001327501062 885379337 /nfs/dbraw/zinc/37/93/37/885379337.db2.gz RRGLJXNUAKAYMQ-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001327522041 885391505 /nfs/dbraw/zinc/39/15/05/885391505.db2.gz YTDHRVPEZXBYDC-WOPDTQHZSA-N 2 1 296.415 -0.158 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C[C@H]3C[NH2+]CCO3)CC2)C1 ZINC001327562200 885406984 /nfs/dbraw/zinc/40/69/84/885406984.db2.gz JXFBYLVKPPUMJK-HUUCEWRRSA-N 2 1 282.432 -0.313 20 0 CBADMP C[NH2+][C@H](C(=O)NCC12CC(C1)C[NH2+]2)c1cnn(C)c1 ZINC001327601842 885426689 /nfs/dbraw/zinc/42/66/89/885426689.db2.gz QJOFPEBMMLARHI-QDYJBQRPSA-N 2 1 263.345 -0.451 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001327841802 885496533 /nfs/dbraw/zinc/49/65/33/885496533.db2.gz ZRZGPWIARZOZFA-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001327856262 885502593 /nfs/dbraw/zinc/50/25/93/885502593.db2.gz PULAFBFPUZZTCN-NSHDSACASA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@H]2C[NH3+])CC[N@H+]1C ZINC001328454285 885693927 /nfs/dbraw/zinc/69/39/27/885693927.db2.gz DXAWABSEIGFXCO-WYUUTHIRSA-N 2 1 255.362 -0.051 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001446912407 912979378 /nfs/dbraw/zinc/97/93/78/912979378.db2.gz NFBXSMSPVFDTHX-STQMWFEESA-N 2 1 297.399 -0.863 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001446912407 912979389 /nfs/dbraw/zinc/97/93/89/912979389.db2.gz NFBXSMSPVFDTHX-STQMWFEESA-N 2 1 297.399 -0.863 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001446942047 912983224 /nfs/dbraw/zinc/98/32/24/912983224.db2.gz ODTRGIAACPYKLY-NEPJUHHUSA-N 2 1 284.404 -0.502 20 0 CBADMP C[N@H+](CCOCC[NH3+])C[C@@H]1CCS(=O)(=O)C1 ZINC001329206453 885967809 /nfs/dbraw/zinc/96/78/09/885967809.db2.gz KMCMFIKBVXWCKA-JTQLQIEISA-N 2 1 250.364 -0.672 20 0 CBADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCS(=O)(=O)C1 ZINC001329206453 885967816 /nfs/dbraw/zinc/96/78/16/885967816.db2.gz KMCMFIKBVXWCKA-JTQLQIEISA-N 2 1 250.364 -0.672 20 0 CBADMP CC(C)[C@H]1CN(CC(=O)N2CC[NH2+]CC2)CC[N@H+]1C ZINC001329377421 886038286 /nfs/dbraw/zinc/03/82/86/886038286.db2.gz ZFEIHMUVMFDTQT-CYBMUJFWSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)N1CC[NH2+]CC1 ZINC001329497863 886096539 /nfs/dbraw/zinc/09/65/39/886096539.db2.gz AAEHZBAUTDLCJD-RYUDHWBXSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@H]1CN(CC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC001329500229 886097170 /nfs/dbraw/zinc/09/71/70/886097170.db2.gz ZWOLLBXXGHGYBJ-LSDHHAIUSA-N 2 1 282.432 -0.313 20 0 CBADMP COC(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001329497953 886097700 /nfs/dbraw/zinc/09/77/00/886097700.db2.gz AMNZGZIERGQAJL-LLVKDONJSA-N 2 1 269.345 -0.554 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(N)=O ZINC001447051965 913010011 /nfs/dbraw/zinc/01/00/11/913010011.db2.gz ZONCHFLSWYEBCE-OLZOCXBDSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(N)=O ZINC001447051965 913010030 /nfs/dbraw/zinc/01/00/30/913010030.db2.gz ZONCHFLSWYEBCE-OLZOCXBDSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001447051965 913010046 /nfs/dbraw/zinc/01/00/46/913010046.db2.gz ZONCHFLSWYEBCE-OLZOCXBDSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001447051965 913010065 /nfs/dbraw/zinc/01/00/65/913010065.db2.gz ZONCHFLSWYEBCE-OLZOCXBDSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CC(N)=O ZINC001329612862 886144447 /nfs/dbraw/zinc/14/44/47/886144447.db2.gz ILXKQQWSFRYTQP-JTQLQIEISA-N 2 1 256.350 -0.996 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC001329675970 886169451 /nfs/dbraw/zinc/16/94/51/886169451.db2.gz UEIXLPVMGZZYKP-QWHCGFSZSA-N 2 1 257.378 -0.195 20 0 CBADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(C)CCC[NH3+] ZINC001329822788 886225454 /nfs/dbraw/zinc/22/54/54/886225454.db2.gz SHCYNVXPCQPZHZ-UHFFFAOYSA-N 2 1 295.387 -0.105 20 0 CBADMP C[C@@H](O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001447327542 913055772 /nfs/dbraw/zinc/05/57/72/913055772.db2.gz WRZBEHVJJCDSNB-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001447327542 913055788 /nfs/dbraw/zinc/05/57/88/913055788.db2.gz WRZBEHVJJCDSNB-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@@H](O)C[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001447327542 913055804 /nfs/dbraw/zinc/05/58/04/913055804.db2.gz WRZBEHVJJCDSNB-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@@H](O)C[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001447327542 913055819 /nfs/dbraw/zinc/05/58/19/913055819.db2.gz WRZBEHVJJCDSNB-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC001330859972 886601672 /nfs/dbraw/zinc/60/16/72/886601672.db2.gz MNAYQBNRLOXFPF-WCQYABFASA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@H]([NH3+])CC(=O)NCCCCN1CC[NH+](C)CC1 ZINC001331043143 886657065 /nfs/dbraw/zinc/65/70/65/886657065.db2.gz TYRBCUUJUPZPON-LBPRGKRZSA-N 2 1 256.394 -0.133 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC001331168074 886707917 /nfs/dbraw/zinc/70/79/17/886707917.db2.gz ZKEROQYBFUAJJO-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001331319909 886773961 /nfs/dbraw/zinc/77/39/61/886773961.db2.gz QOJDJLYCGYZPMP-HBNTYKKESA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCF ZINC001331408006 886797251 /nfs/dbraw/zinc/79/72/51/886797251.db2.gz BWTWRWWZRBDEBE-GHMZBOCLSA-N 2 1 261.341 -0.277 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCF ZINC001331408006 886797264 /nfs/dbraw/zinc/79/72/64/886797264.db2.gz BWTWRWWZRBDEBE-GHMZBOCLSA-N 2 1 261.341 -0.277 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCF ZINC001331408214 886797590 /nfs/dbraw/zinc/79/75/90/886797590.db2.gz BWTWRWWZRBDEBE-QWRGUYRKSA-N 2 1 261.341 -0.277 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCF ZINC001331408214 886797603 /nfs/dbraw/zinc/79/76/03/886797603.db2.gz BWTWRWWZRBDEBE-QWRGUYRKSA-N 2 1 261.341 -0.277 20 0 CBADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]CCO ZINC001331468987 886814060 /nfs/dbraw/zinc/81/40/60/886814060.db2.gz FZSMHJCEKYDTII-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CCO ZINC001331617135 886868810 /nfs/dbraw/zinc/86/88/10/886868810.db2.gz SGGSMCCKENQGPR-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001331639045 886880979 /nfs/dbraw/zinc/88/09/79/886880979.db2.gz PJPFUGICQSNBIZ-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001331639045 886880994 /nfs/dbraw/zinc/88/09/94/886880994.db2.gz PJPFUGICQSNBIZ-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP CCN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC001331705661 886921572 /nfs/dbraw/zinc/92/15/72/886921572.db2.gz HGMXZSBDEHNANK-YNEHKIRRSA-N 2 1 294.399 -0.641 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)C12CCC[NH+]1CCC2 ZINC001331780925 886975720 /nfs/dbraw/zinc/97/57/20/886975720.db2.gz SDKDIFMVLNGUBK-LBPRGKRZSA-N 2 1 267.373 -0.202 20 0 CBADMP COCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001331834145 887003836 /nfs/dbraw/zinc/00/38/36/887003836.db2.gz DVCPFRJDEMVLJD-RYUDHWBXSA-N 2 1 273.377 -0.959 20 0 CBADMP CCOCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001331834405 887006565 /nfs/dbraw/zinc/00/65/65/887006565.db2.gz HLZGUPIAHHYLJS-NEPJUHHUSA-N 2 1 273.377 -0.959 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001331957583 887060884 /nfs/dbraw/zinc/06/08/84/887060884.db2.gz LXTUIEHKBRAHNE-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+](C)CCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001332022881 887089280 /nfs/dbraw/zinc/08/92/80/887089280.db2.gz RJJNILOEIBCCEZ-UHFFFAOYSA-N 3 1 266.393 -0.195 20 0 CBADMP [NH3+]CCOCC[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001332280073 887180734 /nfs/dbraw/zinc/18/07/34/887180734.db2.gz ZCKNHRZDLHEHRA-WDEREUQCSA-N 2 1 262.375 -0.672 20 0 CBADMP [NH3+]CCOCC[N@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001332280073 887180739 /nfs/dbraw/zinc/18/07/39/887180739.db2.gz ZCKNHRZDLHEHRA-WDEREUQCSA-N 2 1 262.375 -0.672 20 0 CBADMP [NH3+]CCOCC[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001332280071 887181402 /nfs/dbraw/zinc/18/14/02/887181402.db2.gz ZCKNHRZDLHEHRA-QWRGUYRKSA-N 2 1 262.375 -0.672 20 0 CBADMP [NH3+]CCOCC[N@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001332280071 887181412 /nfs/dbraw/zinc/18/14/12/887181412.db2.gz ZCKNHRZDLHEHRA-QWRGUYRKSA-N 2 1 262.375 -0.672 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001332293106 887186014 /nfs/dbraw/zinc/18/60/14/887186014.db2.gz WQOBBBRVZCKDLN-MELADBBJSA-N 2 1 280.416 -0.262 20 0 CBADMP CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001332399944 887261122 /nfs/dbraw/zinc/26/11/22/887261122.db2.gz FWOHVQOAMFACRD-OPRDCNLKSA-N 2 1 262.375 -0.749 20 0 CBADMP CC(C)=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001332487252 887312544 /nfs/dbraw/zinc/31/25/44/887312544.db2.gz GBFKZHKKIIXIQW-KBPBESRZSA-N 2 1 299.415 -0.308 20 0 CBADMP CC(C)=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001332487252 887312554 /nfs/dbraw/zinc/31/25/54/887312554.db2.gz GBFKZHKKIIXIQW-KBPBESRZSA-N 2 1 299.415 -0.308 20 0 CBADMP CCNC(=O)C[NH2+]CC1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001447822846 913134806 /nfs/dbraw/zinc/13/48/06/913134806.db2.gz KJGMBXYSTHUFSL-UHFFFAOYSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001332546585 887348302 /nfs/dbraw/zinc/34/83/02/887348302.db2.gz IUHAZSXKUHUQIE-NSHDSACASA-N 2 1 254.334 -0.380 20 0 CBADMP COCC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001332567313 887358519 /nfs/dbraw/zinc/35/85/19/887358519.db2.gz UOKQGRLDRLXOMJ-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](N3C(=O)N[C@@H](CO)C3=O)C2)CC1 ZINC001332846899 887449460 /nfs/dbraw/zinc/44/94/60/887449460.db2.gz APMNUKHBMNLEJQ-RYUDHWBXSA-N 2 1 296.371 -0.932 20 0 CBADMP C[NH+]1CCC(N2CC[C@H](N3C(=O)N[C@@H](CO)C3=O)C2)CC1 ZINC001332846899 887449471 /nfs/dbraw/zinc/44/94/71/887449471.db2.gz APMNUKHBMNLEJQ-RYUDHWBXSA-N 2 1 296.371 -0.932 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001447870286 913149939 /nfs/dbraw/zinc/14/99/39/913149939.db2.gz BWONUESQGSDQQM-MNOVXSKESA-N 2 1 281.360 -0.580 20 0 CBADMP OC[C@H]1C=CCN1CC1(C[N@H+]2CC=C[C@@H]2CO)COC1 ZINC001333084304 887520447 /nfs/dbraw/zinc/52/04/47/887520447.db2.gz KDUWDDHQCVCNFF-ZIAGYGMSSA-N 2 1 280.368 -0.532 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCCC[NH3+])CC[C@H]21 ZINC001333957516 887818492 /nfs/dbraw/zinc/81/84/92/887818492.db2.gz CEJQQJUZVYRTOM-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001333959295 887821338 /nfs/dbraw/zinc/82/13/38/887821338.db2.gz MSJYKAGOUODFSI-XQQFMLRXSA-N 2 1 294.399 -0.560 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC001334231426 887899774 /nfs/dbraw/zinc/89/97/74/887899774.db2.gz SZEMSQIONJKPRD-OUAUKWLOSA-N 2 1 256.350 -0.911 20 0 CBADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC001334536639 888258391 /nfs/dbraw/zinc/25/83/91/888258391.db2.gz UCYQYFJNFSDJAN-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC001334536639 888258403 /nfs/dbraw/zinc/25/84/03/888258403.db2.gz UCYQYFJNFSDJAN-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCNCC[NH2+]CC1 ZINC001334763968 888318237 /nfs/dbraw/zinc/31/82/37/888318237.db2.gz VCNPSFISGOUCJY-KBPBESRZSA-N 2 1 268.405 -0.750 20 0 CBADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001334774229 888319287 /nfs/dbraw/zinc/31/92/87/888319287.db2.gz GVFUYCXBVPMWDQ-STQMWFEESA-N 3 1 268.405 -0.146 20 0 CBADMP CCCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001448145011 913233787 /nfs/dbraw/zinc/23/37/87/913233787.db2.gz GOASLHFQECWZJW-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001448145011 913233808 /nfs/dbraw/zinc/23/38/08/913233808.db2.gz GOASLHFQECWZJW-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001448145011 913233823 /nfs/dbraw/zinc/23/38/23/913233823.db2.gz GOASLHFQECWZJW-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001448145011 913233839 /nfs/dbraw/zinc/23/38/39/913233839.db2.gz GOASLHFQECWZJW-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)CC(N)=O ZINC001448149111 913242418 /nfs/dbraw/zinc/24/24/18/913242418.db2.gz VQBWQWGWWOFFNI-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)CC(N)=O ZINC001448149111 913242427 /nfs/dbraw/zinc/24/24/27/913242427.db2.gz VQBWQWGWWOFFNI-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001335180449 888434080 /nfs/dbraw/zinc/43/40/80/888434080.db2.gz HCOVASJELDSHPF-VXGBXAGGSA-N 3 1 254.378 -0.665 20 0 CBADMP C[C@@H]1C[N@H+](CC(=O)N2CCNCC2)CC[C@@H]1C[NH3+] ZINC001335180449 888434083 /nfs/dbraw/zinc/43/40/83/888434083.db2.gz HCOVASJELDSHPF-VXGBXAGGSA-N 2 1 254.378 -0.665 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCNCC2)CC[C@@H]1C[NH3+] ZINC001335180449 888434088 /nfs/dbraw/zinc/43/40/88/888434088.db2.gz HCOVASJELDSHPF-VXGBXAGGSA-N 2 1 254.378 -0.665 20 0 CBADMP c1ncn([C@H]2CC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC001335190599 888438139 /nfs/dbraw/zinc/43/81/39/888438139.db2.gz TUPDHLNFQQMFDY-NWDGAFQWSA-N 2 1 263.345 -0.097 20 0 CBADMP C[C@@](Cn1cccn1)([NH2+]C[C@H]1CC[NH2+]C1)C(N)=O ZINC001335271352 888478720 /nfs/dbraw/zinc/47/87/20/888478720.db2.gz DNXICMPLKXQPOU-JQWIXIFHSA-N 2 1 251.334 -0.674 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001335275523 888479461 /nfs/dbraw/zinc/47/94/61/888479461.db2.gz FHQGCYPIGCTDOI-LLVKDONJSA-N 2 1 280.372 -0.709 20 0 CBADMP C[C@@H](O)[C@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC001335593647 888575500 /nfs/dbraw/zinc/57/55/00/888575500.db2.gz IRGASRBYRBQSJJ-CHWSQXEVSA-N 2 1 259.394 -0.703 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001335623320 888584859 /nfs/dbraw/zinc/58/48/59/888584859.db2.gz YYDPUQYTGNXOPR-WRWGMCAJSA-N 2 1 268.361 -0.945 20 0 CBADMP C[NH+](C)CCN1CCC(C[NH2+]CCC(N)=O)CC1 ZINC001335940655 888657003 /nfs/dbraw/zinc/65/70/03/888657003.db2.gz DPBRNCWTMHIFTD-UHFFFAOYSA-N 2 1 256.394 -0.275 20 0 CBADMP C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001336014199 888675184 /nfs/dbraw/zinc/67/51/84/888675184.db2.gz FDTYWYNZYXVIKN-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001336014199 888675190 /nfs/dbraw/zinc/67/51/90/888675190.db2.gz FDTYWYNZYXVIKN-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1[C@H](NC(=O)C[NH+]2CCC(CO)CC2)CC[N@@H+]1C ZINC001336108884 888693982 /nfs/dbraw/zinc/69/39/82/888693982.db2.gz YRTGBHHQPJOQFC-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1[C@H](NC(=O)C[NH+]2CCC(CO)CC2)CC[N@H+]1C ZINC001336108884 888693988 /nfs/dbraw/zinc/69/39/88/888693988.db2.gz YRTGBHHQPJOQFC-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001336682380 888842987 /nfs/dbraw/zinc/84/29/87/888842987.db2.gz BRJXRPNZJHJELY-AVGNSLFASA-N 2 1 296.415 -0.360 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001336682382 888844077 /nfs/dbraw/zinc/84/40/77/888844077.db2.gz BRJXRPNZJHJELY-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001336682768 888845623 /nfs/dbraw/zinc/84/56/23/888845623.db2.gz FTQBQJUOFCIJNA-HAQNSBGRSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC001337359406 888997271 /nfs/dbraw/zinc/99/72/71/888997271.db2.gz VJWBEZWKJGIDTD-FIQHERPVSA-N 2 1 282.388 -0.561 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC001337404088 889002380 /nfs/dbraw/zinc/00/23/80/889002380.db2.gz SITFKVHTSIZNCX-PHIMTYICSA-N 2 1 280.372 -0.840 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC001338353631 889146387 /nfs/dbraw/zinc/14/63/87/889146387.db2.gz QKGWNABKZIDTDE-QWRGUYRKSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCNCC[NH2+]CC1 ZINC001338660136 889188728 /nfs/dbraw/zinc/18/87/28/889188728.db2.gz LCGHTNFABYAWFF-LBPRGKRZSA-N 2 1 269.393 -0.715 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@H]1CCC[NH2+]1 ZINC001339716159 889313510 /nfs/dbraw/zinc/31/35/10/889313510.db2.gz STTMCFPJQWCTSW-WOPDTQHZSA-N 2 1 252.362 -0.757 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001339722869 889314337 /nfs/dbraw/zinc/31/43/37/889314337.db2.gz GBGYGRANQHWHMB-FRRDWIJNSA-N 2 1 266.389 -0.415 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001339716104 889314567 /nfs/dbraw/zinc/31/45/67/889314567.db2.gz RZLZVMUULCMPSR-RWMBFGLXSA-N 2 1 266.389 -0.557 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1CCC([NH3+])CC1 ZINC001339846356 889329298 /nfs/dbraw/zinc/32/92/98/889329298.db2.gz XTWXJZZSLYVCTK-WTIISPKJSA-N 2 1 266.389 -0.239 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1CCC([NH3+])CC1 ZINC001339846355 889331427 /nfs/dbraw/zinc/33/14/27/889331427.db2.gz XTWXJZZSLYVCTK-IKWCTNDRSA-N 2 1 266.389 -0.239 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001340091649 889382672 /nfs/dbraw/zinc/38/26/72/889382672.db2.gz WUTAXXPTXRBFBP-KXNHARMFSA-N 2 1 257.378 -0.198 20 0 CBADMP C[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](O)C[NH2+]1 ZINC001340189918 889404516 /nfs/dbraw/zinc/40/45/16/889404516.db2.gz GAOQOCCVZHOOEG-SUZMYJTESA-N 2 1 253.346 -0.548 20 0 CBADMP C[C@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@@H](O)C[NH2+]1 ZINC001340189919 889405113 /nfs/dbraw/zinc/40/51/13/889405113.db2.gz GAOQOCCVZHOOEG-UFGOTCBOSA-N 2 1 253.346 -0.548 20 0 CBADMP [NH3+]CC1(C(=O)N2CC[NH+](C3CCC3)CC2)CC(O)C1 ZINC001340222380 889411722 /nfs/dbraw/zinc/41/17/22/889411722.db2.gz KSRXKDMXCIBLIR-UHFFFAOYSA-N 2 1 267.373 -0.217 20 0 CBADMP [NH3+]CCNCC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC001340281279 889417652 /nfs/dbraw/zinc/41/76/52/889417652.db2.gz FJQJJLUTFYCYSZ-GFCCVEGCSA-N 2 1 263.345 -0.897 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C)c1cnn(C)c1 ZINC001340366045 889428610 /nfs/dbraw/zinc/42/86/10/889428610.db2.gz YURWUDWHXRJRHC-VWYCJHECSA-N 2 1 265.361 -0.077 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC001340468297 889435845 /nfs/dbraw/zinc/43/58/45/889435845.db2.gz CREMTNKLQFGLHU-VXGBXAGGSA-N 2 1 264.329 -0.736 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH2+]CC1(C)C ZINC001340482915 889439063 /nfs/dbraw/zinc/43/90/63/889439063.db2.gz DIPJPFGDKJNOFN-NEPJUHHUSA-N 2 1 266.389 -0.415 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001340526280 889442784 /nfs/dbraw/zinc/44/27/84/889442784.db2.gz BUMJTAJDTIFADD-CYBMUJFWSA-N 2 1 299.415 -0.161 20 0 CBADMP O=C(NCC[C@@H]1CSCC[NH2+]1)[C@H]1CSC[NH2+]1 ZINC001340525005 889442958 /nfs/dbraw/zinc/44/29/58/889442958.db2.gz BTKXHHOWWQPDCA-RKDXNWHRSA-N 2 1 261.416 -0.140 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001340597585 889452195 /nfs/dbraw/zinc/45/21/95/889452195.db2.gz YVWHBZJNGPFKNW-GRYCIOLGSA-N 2 1 255.362 -0.171 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N(C)CCOCC[NH3+])cc2C[NH2+]1 ZINC001340718740 889471059 /nfs/dbraw/zinc/47/10/59/889471059.db2.gz NRHALTIDSKOYRJ-SNVBAGLBSA-N 2 1 281.360 -0.578 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001340773662 889484903 /nfs/dbraw/zinc/48/49/03/889484903.db2.gz INWDZEFVIWUJRA-OCCSQVGLSA-N 2 1 267.373 -0.223 20 0 CBADMP C[C@@H](CNC(=O)CNCC[NH3+])[N@H+]1CCCC[C@H]1C ZINC001340807077 889490238 /nfs/dbraw/zinc/49/02/38/889490238.db2.gz GGCOTDJDROAWBY-NEPJUHHUSA-N 2 1 256.394 -0.086 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001340820319 889490813 /nfs/dbraw/zinc/49/08/13/889490813.db2.gz CTVAWQOCHMGHMV-SGMGOOAPSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)C1 ZINC001340821808 889492080 /nfs/dbraw/zinc/49/20/80/889492080.db2.gz CMWDKMRMGYDLOR-GHMZBOCLSA-N 2 1 257.378 -0.069 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001340825266 889492628 /nfs/dbraw/zinc/49/26/28/889492628.db2.gz WXTMDARGRYQKIG-AAEUAGOBSA-N 2 1 255.362 -0.299 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001340852582 889497663 /nfs/dbraw/zinc/49/76/63/889497663.db2.gz IBHDZRPGJFATSS-DRZSPHRISA-N 2 1 269.389 -0.197 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001340891623 889506403 /nfs/dbraw/zinc/50/64/03/889506403.db2.gz BAGNPTIOYPLEKM-DNIRFERGSA-N 2 1 269.389 -0.198 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001340891625 889507830 /nfs/dbraw/zinc/50/78/30/889507830.db2.gz BAGNPTIOYPLEKM-UKJIMTQDSA-N 2 1 269.389 -0.198 20 0 CBADMP CNC(=O)CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001340940756 889517047 /nfs/dbraw/zinc/51/70/47/889517047.db2.gz VHWHCNBFDFOTPL-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CC[NH2+]C[C@H]1CO ZINC001340953923 889522047 /nfs/dbraw/zinc/52/20/47/889522047.db2.gz PHQUZPTTZXIYCT-AGIUHOORSA-N 2 1 267.373 -0.204 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CNCC[NH3+])C1 ZINC001340987621 889527337 /nfs/dbraw/zinc/52/73/37/889527337.db2.gz XISCRMDEFUGZFX-NWDGAFQWSA-N 2 1 254.378 -0.523 20 0 CBADMP C[NH2+]CCCC(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001341028255 889533271 /nfs/dbraw/zinc/53/32/71/889533271.db2.gz MKWLEQWIBHOPFL-AWEZNQCLSA-N 2 1 277.372 -0.017 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC001341243728 889565991 /nfs/dbraw/zinc/56/59/91/889565991.db2.gz KABLGVWUSBJMSU-AGIUHOORSA-N 2 1 266.389 -0.367 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001341243643 889566413 /nfs/dbraw/zinc/56/64/13/889566413.db2.gz IOEYXPSZSNFECI-XQQFMLRXSA-N 2 1 266.389 -0.415 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001341419712 889591809 /nfs/dbraw/zinc/59/18/09/889591809.db2.gz QXTMJSBZTNOFQU-FZMZJTMJSA-N 2 1 269.389 -0.053 20 0 CBADMP C[NH2+]CCOCCNC(=O)c1nc(C[NH3+])sc1C ZINC001341457351 889600811 /nfs/dbraw/zinc/60/08/11/889600811.db2.gz HJPVNHATHUJVCU-UHFFFAOYSA-N 2 1 272.374 -0.124 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001341465250 889601892 /nfs/dbraw/zinc/60/18/92/889601892.db2.gz KHRAIWCWQCCZJU-WOPDTQHZSA-N 2 1 266.389 -0.511 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)[C@@H](C)[C@@H](O)C[NH2+]C)CC1 ZINC001341645117 889640302 /nfs/dbraw/zinc/64/03/02/889640302.db2.gz KJIQMMAZUJOPJM-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001341688772 889649939 /nfs/dbraw/zinc/64/99/39/889649939.db2.gz LCVMEWQUXRGUQA-FVCCEPFGSA-N 2 1 264.373 -0.805 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001341776510 889659958 /nfs/dbraw/zinc/65/99/58/889659958.db2.gz POUPFYXOWAWMJK-WCQYABFASA-N 2 1 255.362 -0.348 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341776511 889660769 /nfs/dbraw/zinc/66/07/69/889660769.db2.gz POUPFYXOWAWMJK-YPMHNXCESA-N 2 1 255.362 -0.348 20 0 CBADMP Cc1cccc(NCCNC(=O)CNCC[NH3+])[nH+]1 ZINC001342123822 889714683 /nfs/dbraw/zinc/71/46/83/889714683.db2.gz HLKLZDWDYJKBCC-UHFFFAOYSA-N 2 1 251.334 -0.534 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001342128472 889716942 /nfs/dbraw/zinc/71/69/42/889716942.db2.gz NHISPPDBEWILQP-CYBMUJFWSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001342128474 889718310 /nfs/dbraw/zinc/71/83/10/889718310.db2.gz NHISPPDBEWILQP-ZDUSSCGKSA-N 2 1 268.405 -0.167 20 0 CBADMP 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 889719298 /nfs/dbraw/zinc/71/92/98/889719298.db2.gz KLPSHCPAYNFIQU-ZUDIRPEPSA-N 2 1 267.373 -0.444 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001448776447 913375781 /nfs/dbraw/zinc/37/57/81/913375781.db2.gz DCAGIBCZJARFES-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001448776447 913375798 /nfs/dbraw/zinc/37/57/98/913375798.db2.gz DCAGIBCZJARFES-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP CN(C(=O)CNCC[NH3+])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001342238280 889736293 /nfs/dbraw/zinc/73/62/93/889736293.db2.gz YEMNQMVHNXNDOD-CQSZACIVSA-N 2 1 297.447 -0.838 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001342414199 889769728 /nfs/dbraw/zinc/76/97/28/889769728.db2.gz CSSLRLVGLGOIKX-DDHJBXDOSA-N 2 1 252.362 -0.901 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001342414208 889770765 /nfs/dbraw/zinc/77/07/65/889770765.db2.gz CSSLRLVGLGOIKX-WRWGMCAJSA-N 2 1 252.362 -0.901 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]C[C@@H]2CO)C1 ZINC001342441111 889775034 /nfs/dbraw/zinc/77/50/34/889775034.db2.gz ULXAIZSMKUBBIA-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH2+]CCC(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001342645942 889807086 /nfs/dbraw/zinc/80/70/86/889807086.db2.gz TUTGMRSTXOUEQA-ZDUSSCGKSA-N 2 1 263.345 -0.408 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001342868180 889839859 /nfs/dbraw/zinc/83/98/59/889839859.db2.gz DJEINWPLUTZKGN-DMDPSCGWSA-N 2 1 255.362 -0.240 20 0 CBADMP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001342915350 889845201 /nfs/dbraw/zinc/84/52/01/889845201.db2.gz WOXGTJHVMZLJDX-NWDGAFQWSA-N 2 1 256.394 -0.325 20 0 CBADMP CN1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[N@@H+](C)CC1 ZINC001343024651 889857461 /nfs/dbraw/zinc/85/74/61/889857461.db2.gz DGCRLDNZSFRRTF-QWRGUYRKSA-N 2 1 290.358 -0.468 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001343024470 889858861 /nfs/dbraw/zinc/85/88/61/889858861.db2.gz ASDXYVGGVLFCFJ-GFCCVEGCSA-N 2 1 272.393 -0.944 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC001343039485 889859204 /nfs/dbraw/zinc/85/92/04/889859204.db2.gz YKQBIABFPIXTRR-FRRDWIJNSA-N 2 1 266.389 -0.510 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001343088547 889867195 /nfs/dbraw/zinc/86/71/95/889867195.db2.gz XOJBBKCXLOFNEQ-KKOKHZNYSA-N 2 1 252.362 -0.772 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001343191215 889877432 /nfs/dbraw/zinc/87/74/32/889877432.db2.gz LVSSMLLJIJJVTG-SCRDCRAPSA-N 2 1 267.373 -0.177 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC001343440042 889910807 /nfs/dbraw/zinc/91/08/07/889910807.db2.gz VECHPBTVFHQNQD-UTUOFQBUSA-N 2 1 257.378 -0.339 20 0 CBADMP CC[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001343489035 889922854 /nfs/dbraw/zinc/92/28/54/889922854.db2.gz IWUQSTXEMCZBRW-QJPTWQEYSA-N 2 1 256.394 -0.265 20 0 CBADMP C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](C)CCN1C ZINC001343492025 889923406 /nfs/dbraw/zinc/92/34/06/889923406.db2.gz UTSIWRXHKLHHCB-AVGNSLFASA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001343492025 889923418 /nfs/dbraw/zinc/92/34/18/889923418.db2.gz UTSIWRXHKLHHCB-AVGNSLFASA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)[C@@H]1CN(C)CC[N@H+]1C ZINC001343492025 889923423 /nfs/dbraw/zinc/92/34/23/889923423.db2.gz UTSIWRXHKLHHCB-AVGNSLFASA-N 2 1 268.405 -0.121 20 0 CBADMP CC[NH2+]CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001343566104 889931162 /nfs/dbraw/zinc/93/11/62/889931162.db2.gz FBBGLGKRGRFCEY-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H](NC(=O)CC1(C[NH3+])CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001343582134 889934333 /nfs/dbraw/zinc/93/43/33/889934333.db2.gz ISRQLIKHBSDCGQ-VXGBXAGGSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H](NC(=O)CC1(C[NH3+])CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001343582134 889934353 /nfs/dbraw/zinc/93/43/53/889934353.db2.gz ISRQLIKHBSDCGQ-VXGBXAGGSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H](NC(=O)CC1(C[NH3+])CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001343582134 889934362 /nfs/dbraw/zinc/93/43/62/889934362.db2.gz ISRQLIKHBSDCGQ-VXGBXAGGSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001343581617 889936363 /nfs/dbraw/zinc/93/63/63/889936363.db2.gz CPMIKFJCWBRHLM-AGIUHOORSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001343581617 889936382 /nfs/dbraw/zinc/93/63/82/889936382.db2.gz CPMIKFJCWBRHLM-AGIUHOORSA-N 2 1 268.405 -0.264 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001344128461 890005951 /nfs/dbraw/zinc/00/59/51/890005951.db2.gz QCZOMSIHBOWBOP-MROQNXINSA-N 2 1 294.399 -0.702 20 0 CBADMP O=C(NC[C@H]1COCCN1)[C@@H]1NCCc2occc21 ZINC001344356182 890016407 /nfs/dbraw/zinc/01/64/07/890016407.db2.gz BGBSUCCUGBJGIM-JOYOIKCWSA-N 2 1 265.313 -0.429 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001344374761 890018841 /nfs/dbraw/zinc/01/88/41/890018841.db2.gz QEGZSDPWGNVRBX-RYUDHWBXSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001344747984 890058758 /nfs/dbraw/zinc/05/87/58/890058758.db2.gz PQWFKWZMRPBKSZ-IJLUTSLNSA-N 2 1 266.389 -0.430 20 0 CBADMP [NH3+]CCNCC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001344778096 890063605 /nfs/dbraw/zinc/06/36/05/890063605.db2.gz PKMQXRZWRGINNG-QWRGUYRKSA-N 2 1 272.418 -0.769 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC[C@@H](C)[NH2+]C)C1CC1 ZINC001345180940 890108665 /nfs/dbraw/zinc/10/86/65/890108665.db2.gz TYPDGSMKVXRXEK-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP CN1CCN(C(=O)[C@H]([NH3+])CC(F)F)CC[N@H+](C)CC1 ZINC001345453337 890129028 /nfs/dbraw/zinc/12/90/28/890129028.db2.gz ISVRXAZDOACXJS-SNVBAGLBSA-N 2 1 278.347 -0.325 20 0 CBADMP CN1CCN(C(=O)[C@H]([NH3+])CC(F)F)CC[N@@H+](C)CC1 ZINC001345453337 890129031 /nfs/dbraw/zinc/12/90/31/890129031.db2.gz ISVRXAZDOACXJS-SNVBAGLBSA-N 2 1 278.347 -0.325 20 0 CBADMP CN1CCN(C(=O)C[NH2+]CC2CC2)CC[N@H+](C)CC1 ZINC001345454256 890131961 /nfs/dbraw/zinc/13/19/61/890131961.db2.gz TYBHGWWUNIUYIB-UHFFFAOYSA-N 2 1 268.405 -0.308 20 0 CBADMP CN1CCN(C(=O)C[NH2+]CC2CC2)CC[N@@H+](C)CC1 ZINC001345454256 890131968 /nfs/dbraw/zinc/13/19/68/890131968.db2.gz TYBHGWWUNIUYIB-UHFFFAOYSA-N 2 1 268.405 -0.308 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC(C)(C)[NH+](C)C ZINC001345527876 890138509 /nfs/dbraw/zinc/13/85/09/890138509.db2.gz XRSSYLDUDANKFU-NEPJUHHUSA-N 2 1 268.405 -0.169 20 0 CBADMP O=C(c1n[nH]c2c1C[NH2+]CC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001345856058 890172776 /nfs/dbraw/zinc/17/27/76/890172776.db2.gz OSPXTDMPTYLVCR-DTORHVGOSA-N 2 1 261.329 -0.653 20 0 CBADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001345955145 890185680 /nfs/dbraw/zinc/18/56/80/890185680.db2.gz CGJLIMSAEUUAKS-OCCSQVGLSA-N 3 1 268.405 -0.146 20 0 CBADMP CC(C)[C@H]([NH3+])CCN(C)CC(=O)N1CCNCC1 ZINC001346017147 890195573 /nfs/dbraw/zinc/19/55/73/890195573.db2.gz KNACRTUOLQAXHO-GFCCVEGCSA-N 3 1 256.394 -0.277 20 0 CBADMP C[C@@H](NC(=O)C12CC(C1)C[NH2+]2)[C@@H]1C[N@@H+](C)CCN1C ZINC001346229678 890248273 /nfs/dbraw/zinc/24/82/73/890248273.db2.gz WFXIZHMNSNQWAX-JJMZSNKZSA-N 2 1 266.389 -0.511 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001346264354 890253357 /nfs/dbraw/zinc/25/33/57/890253357.db2.gz OGWXEQGPWBYPMO-UHFFFAOYSA-N 2 1 280.376 -0.604 20 0 CBADMP C[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)CN1CC[NH+](C)CC1 ZINC001346333136 890270299 /nfs/dbraw/zinc/27/02/99/890270299.db2.gz PGGIIHMNGUWGGE-KBPBESRZSA-N 2 1 299.463 -0.735 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@]3(C)C[NH2+]CCO3)[C@@H]2C1 ZINC001346384817 890281866 /nfs/dbraw/zinc/28/18/66/890281866.db2.gz GJRRFIBMIQXLIM-OPDFLTKYSA-N 2 1 267.373 -0.179 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001346538347 890318188 /nfs/dbraw/zinc/31/81/88/890318188.db2.gz PVBUGAGWENBQMU-GHMZBOCLSA-N 2 1 258.366 -0.792 20 0 CBADMP CC[NH+](CC)CC(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448884994 913439054 /nfs/dbraw/zinc/43/90/54/913439054.db2.gz ORWXHUTWSJFTAO-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1CCC[NH+](C)C1 ZINC001347603819 890486135 /nfs/dbraw/zinc/48/61/35/890486135.db2.gz RZHTWIXLLQQNJG-AGIUHOORSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001347603819 890486143 /nfs/dbraw/zinc/48/61/43/890486143.db2.gz RZHTWIXLLQQNJG-AGIUHOORSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001347603819 890486149 /nfs/dbraw/zinc/48/61/49/890486149.db2.gz RZHTWIXLLQQNJG-AGIUHOORSA-N 2 1 266.389 -0.415 20 0 CBADMP NC(=O)C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC001348448123 890627647 /nfs/dbraw/zinc/62/76/47/890627647.db2.gz WEIYTKPYSFQSKI-WDEREUQCSA-N 2 1 269.345 -0.916 20 0 CBADMP NC(=O)C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC001348448123 890627654 /nfs/dbraw/zinc/62/76/54/890627654.db2.gz WEIYTKPYSFQSKI-WDEREUQCSA-N 2 1 269.345 -0.916 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001348593692 890658434 /nfs/dbraw/zinc/65/84/34/890658434.db2.gz QJTBTBPMSWRBIJ-WCQYABFASA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001449025686 913483832 /nfs/dbraw/zinc/48/38/32/913483832.db2.gz VDHANNKDAAGATP-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP CN(CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)CC[NH+](C)C ZINC001449007084 913485392 /nfs/dbraw/zinc/48/53/92/913485392.db2.gz SBUMPJONOMXBCZ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@@H+](CC(=O)NCCNC(=O)[C@H]1CCC[NH+]1C)C1CCC1 ZINC001349200951 890776572 /nfs/dbraw/zinc/77/65/72/890776572.db2.gz NYZULSSSJPFZIG-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CC(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C)C1CCC1 ZINC001349200951 890776584 /nfs/dbraw/zinc/77/65/84/890776584.db2.gz NYZULSSSJPFZIG-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CC(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C)C1CCC1 ZINC001349200951 890776600 /nfs/dbraw/zinc/77/66/00/890776600.db2.gz NYZULSSSJPFZIG-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC(N)=O)[C@H]1C ZINC001449043580 913486665 /nfs/dbraw/zinc/48/66/65/913486665.db2.gz GTBJPSQYUXHIGI-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC(N)=O)[C@H]1C ZINC001449043580 913486673 /nfs/dbraw/zinc/48/66/73/913486673.db2.gz GTBJPSQYUXHIGI-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC001449043580 913486683 /nfs/dbraw/zinc/48/66/83/913486683.db2.gz GTBJPSQYUXHIGI-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC001449043580 913486692 /nfs/dbraw/zinc/48/66/92/913486692.db2.gz GTBJPSQYUXHIGI-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C/C(=C\C(=O)NC[C@@H]1CC[N@@H+]1C)C(=O)NC[C@@H]1CC[NH+]1C ZINC001349300576 890790755 /nfs/dbraw/zinc/79/07/55/890790755.db2.gz SFUHHJILIQHDMH-DPGNGVPNSA-N 2 1 294.399 -0.427 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC001349457911 890818081 /nfs/dbraw/zinc/81/80/81/890818081.db2.gz KOQYIPWMQOBKCO-JTQLQIEISA-N 2 1 266.349 -0.692 20 0 CBADMP C[NH2+]CCOCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001349607569 890846010 /nfs/dbraw/zinc/84/60/10/890846010.db2.gz CIOQYFYICDXLKR-NXEZZACHSA-N 2 1 252.318 -0.135 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC001350031946 890925785 /nfs/dbraw/zinc/92/57/85/890925785.db2.gz NCPDIJVKFYLCGD-ZDEQEGDKSA-N 2 1 294.399 -0.417 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001350058841 890931312 /nfs/dbraw/zinc/93/13/12/890931312.db2.gz VCDTUCSUVQORRR-GRYCIOLGSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC[NH+]1CCOCC1 ZINC001350794290 891043432 /nfs/dbraw/zinc/04/34/32/891043432.db2.gz PLGBYMJHCDVKIO-KGLIPLIRSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC[NH+]1CCOCC1 ZINC001350794290 891043448 /nfs/dbraw/zinc/04/34/48/891043448.db2.gz PLGBYMJHCDVKIO-KGLIPLIRSA-N 2 1 296.415 -0.787 20 0 CBADMP CN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CC[NH+](C)C ZINC001351509364 891147075 /nfs/dbraw/zinc/14/70/75/891147075.db2.gz GOVOCTVZNLGYKA-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CCC[NH+](C)C ZINC001351731681 891177374 /nfs/dbraw/zinc/17/73/74/891177374.db2.gz NDNNGORECGWPLF-CHWSQXEVSA-N 2 1 268.405 -0.215 20 0 CBADMP CC[NH+](CC)CC(=O)NCCC[NH+]1CCN(C(C)=O)CC1 ZINC001352660185 891280577 /nfs/dbraw/zinc/28/05/77/891280577.db2.gz UJLCODDPPDSHKR-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC001352803126 891299541 /nfs/dbraw/zinc/29/95/41/891299541.db2.gz MCDYDHMLFOSDCU-GFCCVEGCSA-N 2 1 269.345 -0.316 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001353121683 891362785 /nfs/dbraw/zinc/36/27/85/891362785.db2.gz KIJGMQHXNWYHSU-GMTAPVOTSA-N 2 1 280.372 -0.807 20 0 CBADMP C[N@@H+](CCCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC001353261438 891386690 /nfs/dbraw/zinc/38/66/90/891386690.db2.gz SMJNJTDUBRBEMO-AAEUAGOBSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1C ZINC001353258230 891388276 /nfs/dbraw/zinc/38/82/76/891388276.db2.gz AVQNPPWVPQPWRE-USZNOCQGSA-N 2 1 280.372 -0.842 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC[C@H]21 ZINC001353325379 891404980 /nfs/dbraw/zinc/40/49/80/891404980.db2.gz XINJRWFNCRCOOM-FDYHWXHSSA-N 2 1 294.399 -0.608 20 0 CBADMP [NH3+]CCCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001353423970 891424681 /nfs/dbraw/zinc/42/46/81/891424681.db2.gz FWZKTWYDVOPSMY-OLZOCXBDSA-N 2 1 284.404 -0.034 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001353481785 891433030 /nfs/dbraw/zinc/43/30/30/891433030.db2.gz HSVLZPRLJYVOEM-CHWSQXEVSA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@H]([NH3+])C1(C(=O)NCC(F)(F)C[NH3+])CCOCC1 ZINC001353613049 891453304 /nfs/dbraw/zinc/45/33/04/891453304.db2.gz JZPADZUCLJCSFA-QMMMGPOBSA-N 2 1 265.304 -0.159 20 0 CBADMP COCC[NH2+]CC(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001354893293 891628923 /nfs/dbraw/zinc/62/89/23/891628923.db2.gz KOWWCSCQFONDRB-CQSZACIVSA-N 2 1 293.371 -0.781 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cnn(C)c1 ZINC001355499104 891684791 /nfs/dbraw/zinc/68/47/91/891684791.db2.gz VPXPYNLLSFIDLT-WRWGMCAJSA-N 2 1 263.345 -0.310 20 0 CBADMP C[C@@H](NC(=O)C(C)(C)C[NH3+])[C@@H]1C[N@@H+](C)CCN1C ZINC001356253700 891743166 /nfs/dbraw/zinc/74/31/66/891743166.db2.gz ORWWZLZUXORCBM-MNOVXSKESA-N 2 1 256.394 -0.278 20 0 CBADMP C[C@@H](NC(=O)CC[NH2+]C1CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001356252699 891744334 /nfs/dbraw/zinc/74/43/34/891744334.db2.gz JRQRAANKDDEGDX-YPMHNXCESA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@@H](NC(=O)CC[NH2+]C1CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001356252699 891744348 /nfs/dbraw/zinc/74/43/48/891744348.db2.gz JRQRAANKDDEGDX-YPMHNXCESA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@@H](NC(=O)CC[NH2+]C1CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001356252699 891744355 /nfs/dbraw/zinc/74/43/55/891744355.db2.gz JRQRAANKDDEGDX-YPMHNXCESA-N 2 1 268.405 -0.121 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001356438502 891760640 /nfs/dbraw/zinc/76/06/40/891760640.db2.gz PPDPVMREUWOLFL-CYDGBPFRSA-N 2 1 294.399 -0.417 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)CC1 ZINC001357151567 891855042 /nfs/dbraw/zinc/85/50/42/891855042.db2.gz VTPRBDXSPRJZBV-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP C[C@H]1C[C@H](NC(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1C ZINC001357241680 891860575 /nfs/dbraw/zinc/86/05/75/891860575.db2.gz JYFCOFRZEDMAPB-QWHCGFSZSA-N 2 1 283.420 -0.327 20 0 CBADMP O=C(C[NH+]1CCC(CO)CC1)NCC[NH+]1CCCC1 ZINC001357338541 891871019 /nfs/dbraw/zinc/87/10/19/891871019.db2.gz YLLFNQZASNKQSE-UHFFFAOYSA-N 2 1 269.389 -0.097 20 0 CBADMP [NH3+]CC1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC(O)C1 ZINC001357361035 891872319 /nfs/dbraw/zinc/87/23/19/891872319.db2.gz BJSBYRASTFIWSG-JKDOVBDQSA-N 2 1 267.373 -0.313 20 0 CBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])CO ZINC001357375774 891879581 /nfs/dbraw/zinc/87/95/81/891879581.db2.gz KOSBBUIQAZMRDV-WRWGMCAJSA-N 2 1 257.378 -0.211 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)C1 ZINC001357396542 891884411 /nfs/dbraw/zinc/88/44/11/891884411.db2.gz JSLOKSSFFZIITH-OFTGVCEQSA-N 2 1 267.373 -0.193 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@H]([NH3+])CO)C2(CCCCC2)C1 ZINC001357428656 891889066 /nfs/dbraw/zinc/88/90/66/891889066.db2.gz QNJNYKJTHHCVBL-LLVKDONJSA-N 2 1 255.362 -0.217 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001357429227 891890058 /nfs/dbraw/zinc/89/00/58/891890058.db2.gz YBSCJYALATWFNV-ZBOXLXRLSA-N 2 1 255.362 -0.456 20 0 CBADMP C[NH2+]CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001357433892 891894617 /nfs/dbraw/zinc/89/46/17/891894617.db2.gz HUVPIDHTSIXCSE-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP [NH3+][C@H](CO)C(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC001357463177 891896223 /nfs/dbraw/zinc/89/62/23/891896223.db2.gz KUSDKAFDDGFEJZ-NEPJUHHUSA-N 2 1 267.304 -0.382 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC001357642732 891922946 /nfs/dbraw/zinc/92/29/46/891922946.db2.gz IMTGCBVFXAMIEP-WYUUTHIRSA-N 2 1 266.389 -0.383 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001357642729 891924111 /nfs/dbraw/zinc/92/41/11/891924111.db2.gz IMTGCBVFXAMIEP-DDHJBXDOSA-N 2 1 266.389 -0.383 20 0 CBADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001358239045 891981865 /nfs/dbraw/zinc/98/18/65/891981865.db2.gz WCMXJFWCGRNVJF-ZWNOBZJWSA-N 2 1 266.345 -0.100 20 0 CBADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001358239043 891982613 /nfs/dbraw/zinc/98/26/13/891982613.db2.gz WCMXJFWCGRNVJF-MFKMUULPSA-N 2 1 266.345 -0.100 20 0 CBADMP [NH3+]CCCC(=O)NCCCCC[NH+]1CCNCC1 ZINC001358212862 891983068 /nfs/dbraw/zinc/98/30/68/891983068.db2.gz GYFVTAIXOMOMDP-UHFFFAOYSA-N 2 1 256.394 -0.083 20 0 CBADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001358239041 891983182 /nfs/dbraw/zinc/98/31/82/891983182.db2.gz WCMXJFWCGRNVJF-GWCFXTLKSA-N 2 1 266.345 -0.100 20 0 CBADMP CN1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[N@@H+](C)CC1 ZINC001358445211 892007566 /nfs/dbraw/zinc/00/75/66/892007566.db2.gz XHICPSXMMULABY-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001362282753 892564750 /nfs/dbraw/zinc/56/47/50/892564750.db2.gz GIXZZAGOTUGLCY-CHWSQXEVSA-N 2 1 286.395 -0.218 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001362282753 892564763 /nfs/dbraw/zinc/56/47/63/892564763.db2.gz GIXZZAGOTUGLCY-CHWSQXEVSA-N 2 1 286.395 -0.218 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001362282753 892564771 /nfs/dbraw/zinc/56/47/71/892564771.db2.gz GIXZZAGOTUGLCY-CHWSQXEVSA-N 2 1 286.395 -0.218 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001450439279 913695879 /nfs/dbraw/zinc/69/58/79/913695879.db2.gz FLJOPGILLNHEJM-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CC[NH+](C)C)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001362778978 893020268 /nfs/dbraw/zinc/02/02/68/893020268.db2.gz UTPDRESWHJDSLU-YPMHNXCESA-N 2 1 273.377 -0.959 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001363032553 893283559 /nfs/dbraw/zinc/28/35/59/893283559.db2.gz XTMYWVRSMSJWAU-STQMWFEESA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001363032553 893283575 /nfs/dbraw/zinc/28/35/75/893283575.db2.gz XTMYWVRSMSJWAU-STQMWFEESA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001363032553 893283590 /nfs/dbraw/zinc/28/35/90/893283590.db2.gz XTMYWVRSMSJWAU-STQMWFEESA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001363032553 893283547 /nfs/dbraw/zinc/28/35/47/893283547.db2.gz XTMYWVRSMSJWAU-STQMWFEESA-N 2 1 287.379 -0.055 20 0 CBADMP O[C@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C1CC1 ZINC001363224698 893475973 /nfs/dbraw/zinc/47/59/73/893475973.db2.gz FMERYQWAXCTDNO-CQSZACIVSA-N 2 1 284.400 -0.084 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001363489962 893731224 /nfs/dbraw/zinc/73/12/24/893731224.db2.gz KVUISDMNDXHYSN-HIFRSBDPSA-N 2 1 297.399 -0.579 20 0 CBADMP Cn1cncc1CC[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001363849626 894058233 /nfs/dbraw/zinc/05/82/33/894058233.db2.gz VYMJISVONWAXDR-AWEZNQCLSA-N 2 1 280.372 -0.659 20 0 CBADMP Cn1cncc1CCN1CCN2CCOC[C@@]2(CO)C1 ZINC001363849626 894058249 /nfs/dbraw/zinc/05/82/49/894058249.db2.gz VYMJISVONWAXDR-AWEZNQCLSA-N 2 1 280.372 -0.659 20 0 CBADMP Cn1cncc1CC[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001363849629 894059233 /nfs/dbraw/zinc/05/92/33/894059233.db2.gz VYMJISVONWAXDR-CQSZACIVSA-N 2 1 280.372 -0.659 20 0 CBADMP Cn1cncc1CCN1CCN2CCOC[C@]2(CO)C1 ZINC001363849629 894059248 /nfs/dbraw/zinc/05/92/48/894059248.db2.gz VYMJISVONWAXDR-CQSZACIVSA-N 2 1 280.372 -0.659 20 0 CBADMP CC(C)[C@@H]1CN(S(=O)(=O)N2CCN(C)CC2)CCN1 ZINC001364025126 894153823 /nfs/dbraw/zinc/15/38/23/894153823.db2.gz AKSYWNNZJONSCQ-LBPRGKRZSA-N 2 1 290.433 -0.592 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)C(C)(C)O)CC2)C1 ZINC001364361396 894361763 /nfs/dbraw/zinc/36/17/63/894361763.db2.gz ZKSMWKYWJSJCBF-KGLIPLIRSA-N 2 1 285.432 -0.170 20 0 CBADMP Cc1[nH+]ccn1CCC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001364452515 894433013 /nfs/dbraw/zinc/43/30/13/894433013.db2.gz QGUVDKNEUIVKPV-QWRGUYRKSA-N 2 1 279.344 -0.900 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001365121652 894768862 /nfs/dbraw/zinc/76/88/62/894768862.db2.gz LXMIMFNODUEYAH-UMVBOHGHSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@@H]1COCCN1CC[N@@H+]1CCN(CCO)C[C@H]1C ZINC001365308727 894889163 /nfs/dbraw/zinc/88/91/63/894889163.db2.gz FRMMBWUEBGTPBD-ZIAGYGMSSA-N 2 1 271.405 -0.295 20 0 CBADMP C[C@@H]1COCCN1CC[N@H+]1CCN(CCO)C[C@H]1C ZINC001365308727 894889181 /nfs/dbraw/zinc/88/91/81/894889181.db2.gz FRMMBWUEBGTPBD-ZIAGYGMSSA-N 2 1 271.405 -0.295 20 0 CBADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)C(C)(C)O)CCO2 ZINC001365318465 894896040 /nfs/dbraw/zinc/89/60/40/894896040.db2.gz QYLKEMKQRFIBLO-GFCCVEGCSA-N 2 1 272.389 -0.085 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCCN(CC(=O)NC)CC1 ZINC001365331503 894909599 /nfs/dbraw/zinc/90/95/99/894909599.db2.gz FNDNYQMLDXKJGJ-CYBMUJFWSA-N 2 1 286.420 -0.947 20 0 CBADMP CC[N@H+](C)C[C@@H](O)CN1CCC[NH+](CC(=O)NC)CC1 ZINC001365331503 894909608 /nfs/dbraw/zinc/90/96/08/894909608.db2.gz FNDNYQMLDXKJGJ-CYBMUJFWSA-N 2 1 286.420 -0.947 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[NH+](CC(=O)NC)CC1 ZINC001365331503 894909622 /nfs/dbraw/zinc/90/96/22/894909622.db2.gz FNDNYQMLDXKJGJ-CYBMUJFWSA-N 2 1 286.420 -0.947 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CCC[N@H+](CC(=O)NC)CC1 ZINC001365331503 894909634 /nfs/dbraw/zinc/90/96/34/894909634.db2.gz FNDNYQMLDXKJGJ-CYBMUJFWSA-N 2 1 286.420 -0.947 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CCC[N@@H+](CC(=O)NC)CC1 ZINC001365331503 894909644 /nfs/dbraw/zinc/90/96/44/894909644.db2.gz FNDNYQMLDXKJGJ-CYBMUJFWSA-N 2 1 286.420 -0.947 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC001365864241 895134113 /nfs/dbraw/zinc/13/41/13/895134113.db2.gz DUXHZTQEKCAHDR-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CCO ZINC001365864241 895134122 /nfs/dbraw/zinc/13/41/22/895134122.db2.gz DUXHZTQEKCAHDR-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001365909031 895139638 /nfs/dbraw/zinc/13/96/38/895139638.db2.gz JDODGVYBSYCODZ-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001365909031 895139641 /nfs/dbraw/zinc/13/96/41/895139641.db2.gz JDODGVYBSYCODZ-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001365909031 895139646 /nfs/dbraw/zinc/13/96/46/895139646.db2.gz JDODGVYBSYCODZ-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001365909031 895139649 /nfs/dbraw/zinc/13/96/49/895139649.db2.gz JDODGVYBSYCODZ-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)C1CC[NH+](CC(N)=O)CC1)[NH+](C)C ZINC001365934365 895146320 /nfs/dbraw/zinc/14/63/20/895146320.db2.gz WXUPMJMDKSIVDC-AWEZNQCLSA-N 2 1 298.431 -0.019 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001366089975 895188643 /nfs/dbraw/zinc/18/86/43/895188643.db2.gz BVBCKSRXKLGERM-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001366097346 895189142 /nfs/dbraw/zinc/18/91/42/895189142.db2.gz GVMMOZGLSAARPR-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001366103042 895191236 /nfs/dbraw/zinc/19/12/36/895191236.db2.gz PPPHRKVYRISSBO-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001366103892 895191355 /nfs/dbraw/zinc/19/13/55/895191355.db2.gz LVISIOZQWJBTMN-NSHDSACASA-N 2 1 295.391 -0.759 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001366103892 895191358 /nfs/dbraw/zinc/19/13/58/895191358.db2.gz LVISIOZQWJBTMN-NSHDSACASA-N 2 1 295.391 -0.759 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366104458 895191957 /nfs/dbraw/zinc/19/19/57/895191957.db2.gz KBAPQUQVEHKIGT-IHRRRGAJSA-N 2 1 299.415 -0.474 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001366118512 895197818 /nfs/dbraw/zinc/19/78/18/895197818.db2.gz OMTOOIOQHUZYHY-IJLUTSLNSA-N 2 1 282.388 -0.547 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001366123226 895198260 /nfs/dbraw/zinc/19/82/60/895198260.db2.gz CFITZYRGJAGQBV-AVGNSLFASA-N 2 1 296.415 -0.156 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366131074 895200790 /nfs/dbraw/zinc/20/07/90/895200790.db2.gz GCRDZPKAOJQRLE-XUXIUFHCSA-N 2 1 299.415 -0.428 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001366142436 895204562 /nfs/dbraw/zinc/20/45/62/895204562.db2.gz OJEVYYPYTVRDQS-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001366182051 895216245 /nfs/dbraw/zinc/21/62/45/895216245.db2.gz ANQXNIXFOOAZQH-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001366259937 895239934 /nfs/dbraw/zinc/23/99/34/895239934.db2.gz BHOGALJMQLDUFB-RYUDHWBXSA-N 2 1 284.404 -0.301 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001366324286 895274135 /nfs/dbraw/zinc/27/41/35/895274135.db2.gz PPLZQAWKSHWKCH-DGCLKSJQSA-N 2 1 296.419 -0.004 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ncnn1C ZINC001366332228 895279291 /nfs/dbraw/zinc/27/92/91/895279291.db2.gz JCYADEHBPMRMGY-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ncnn1C ZINC001366332228 895279302 /nfs/dbraw/zinc/27/93/02/895279302.db2.gz JCYADEHBPMRMGY-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001366347397 895291852 /nfs/dbraw/zinc/29/18/52/895291852.db2.gz QMEFAJFOMRGLCB-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001366411618 895312703 /nfs/dbraw/zinc/31/27/03/895312703.db2.gz MHLNQLZIFMOLIP-NEPJUHHUSA-N 2 1 282.388 -0.748 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001366416834 895317130 /nfs/dbraw/zinc/31/71/30/895317130.db2.gz VBXQCUGHWZCPFX-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nnn(C)n1 ZINC001366508451 895340903 /nfs/dbraw/zinc/34/09/03/895340903.db2.gz LLLKRKRKSLXIPZ-GHMZBOCLSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnn(C)n1 ZINC001366508451 895340917 /nfs/dbraw/zinc/34/09/17/895340917.db2.gz LLLKRKRKSLXIPZ-GHMZBOCLSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)[C@@H]2CCNC2=O)C1 ZINC001366565742 895379893 /nfs/dbraw/zinc/37/98/93/895379893.db2.gz LMCWEKOFOQDWHY-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)[C@@H]2CCNC2=O)C1 ZINC001366565742 895379908 /nfs/dbraw/zinc/37/99/08/895379908.db2.gz LMCWEKOFOQDWHY-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001366565742 895379924 /nfs/dbraw/zinc/37/99/24/895379924.db2.gz LMCWEKOFOQDWHY-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001366565742 895379941 /nfs/dbraw/zinc/37/99/41/895379941.db2.gz LMCWEKOFOQDWHY-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCN(C)C1=O ZINC001366602634 895405116 /nfs/dbraw/zinc/40/51/16/895405116.db2.gz HFUGQMVIUMULBE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCN(C)C1=O ZINC001366602634 895405119 /nfs/dbraw/zinc/40/51/19/895405119.db2.gz HFUGQMVIUMULBE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(C)C1=O ZINC001366602634 895405121 /nfs/dbraw/zinc/40/51/21/895405121.db2.gz HFUGQMVIUMULBE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC ZINC001366602178 895405377 /nfs/dbraw/zinc/40/53/77/895405377.db2.gz ARNQLWUMYKYJLX-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC ZINC001366602178 895405378 /nfs/dbraw/zinc/40/53/78/895405378.db2.gz ARNQLWUMYKYJLX-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)NC ZINC001366602178 895405383 /nfs/dbraw/zinc/40/53/83/895405383.db2.gz ARNQLWUMYKYJLX-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)NC ZINC001366602178 895405385 /nfs/dbraw/zinc/40/53/85/895405385.db2.gz ARNQLWUMYKYJLX-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCNC1=O ZINC001366613809 895409554 /nfs/dbraw/zinc/40/95/54/895409554.db2.gz JJGITZXGDQMXCR-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCNC1=O ZINC001366613809 895409560 /nfs/dbraw/zinc/40/95/60/895409560.db2.gz JJGITZXGDQMXCR-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCNC1=O ZINC001366613809 895409571 /nfs/dbraw/zinc/40/95/71/895409571.db2.gz JJGITZXGDQMXCR-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)C(N)=O ZINC001366633147 895416918 /nfs/dbraw/zinc/41/69/18/895416918.db2.gz ZLGCUJBKIIYPJL-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)C(N)=O ZINC001366633147 895416923 /nfs/dbraw/zinc/41/69/23/895416923.db2.gz ZLGCUJBKIIYPJL-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP CCNC(=O)C[N@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001366630254 895417074 /nfs/dbraw/zinc/41/70/74/895417074.db2.gz UIBHNXINJPMELT-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[N@@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001366630254 895417079 /nfs/dbraw/zinc/41/70/79/895417079.db2.gz UIBHNXINJPMELT-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001366630254 895417085 /nfs/dbraw/zinc/41/70/85/895417085.db2.gz UIBHNXINJPMELT-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+](CC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001366630254 895417088 /nfs/dbraw/zinc/41/70/88/895417088.db2.gz UIBHNXINJPMELT-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(N)=O ZINC001366638350 895417231 /nfs/dbraw/zinc/41/72/31/895417231.db2.gz LRYHVGZNZBGSEP-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(N)=O ZINC001366638350 895417237 /nfs/dbraw/zinc/41/72/37/895417237.db2.gz LRYHVGZNZBGSEP-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)CC(N)=O ZINC001366638350 895417239 /nfs/dbraw/zinc/41/72/39/895417239.db2.gz LRYHVGZNZBGSEP-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CC(N)=O ZINC001366638350 895417241 /nfs/dbraw/zinc/41/72/41/895417241.db2.gz LRYHVGZNZBGSEP-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCCN1CC(=O)N(C)C ZINC001366671050 895425002 /nfs/dbraw/zinc/42/50/02/895425002.db2.gz BGMDUOHAXKRCNC-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC(=O)N(C)C ZINC001366671050 895425004 /nfs/dbraw/zinc/42/50/04/895425004.db2.gz BGMDUOHAXKRCNC-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC(=O)N(C)C ZINC001366671050 895425007 /nfs/dbraw/zinc/42/50/07/895425007.db2.gz BGMDUOHAXKRCNC-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC001366671050 895425010 /nfs/dbraw/zinc/42/50/10/895425010.db2.gz BGMDUOHAXKRCNC-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP COC[C@H](C)[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001366732671 895442822 /nfs/dbraw/zinc/44/28/22/895442822.db2.gz MCBIONMPHNFIOU-GXTWGEPZSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@H](C)[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001366732671 895442830 /nfs/dbraw/zinc/44/28/30/895442830.db2.gz MCBIONMPHNFIOU-GXTWGEPZSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@H](C)[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001366732671 895442836 /nfs/dbraw/zinc/44/28/36/895442836.db2.gz MCBIONMPHNFIOU-GXTWGEPZSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@H](C)[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001366732671 895442843 /nfs/dbraw/zinc/44/28/43/895442843.db2.gz MCBIONMPHNFIOU-GXTWGEPZSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@@H](C)[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001366732689 895444903 /nfs/dbraw/zinc/44/49/03/895444903.db2.gz MCBIONMPHNFIOU-OCCSQVGLSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001366732689 895444910 /nfs/dbraw/zinc/44/49/10/895444910.db2.gz MCBIONMPHNFIOU-OCCSQVGLSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@@H](C)[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001366732689 895444913 /nfs/dbraw/zinc/44/49/13/895444913.db2.gz MCBIONMPHNFIOU-OCCSQVGLSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@@H](C)[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001366732689 895444919 /nfs/dbraw/zinc/44/49/19/895444919.db2.gz MCBIONMPHNFIOU-OCCSQVGLSA-N 2 1 299.415 -0.068 20 0 CBADMP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001366768218 895453341 /nfs/dbraw/zinc/45/33/41/895453341.db2.gz NNRYQILQRMZXLV-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@H]([NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001366772518 895456872 /nfs/dbraw/zinc/45/68/72/895456872.db2.gz BYWYXLVZTTULAW-NSHDSACASA-N 2 1 281.360 -0.497 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[C@H]2CC[NH+](CCO)C2)C1 ZINC001366824442 895466617 /nfs/dbraw/zinc/46/66/17/895466617.db2.gz QZTZAKXSYSUNIO-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[C@H]2CC[NH+](CCO)C2)C1 ZINC001366824442 895466626 /nfs/dbraw/zinc/46/66/26/895466626.db2.gz QZTZAKXSYSUNIO-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCC[C@H]2CC[N@H+](CCO)C2)C1 ZINC001366824442 895466632 /nfs/dbraw/zinc/46/66/32/895466632.db2.gz QZTZAKXSYSUNIO-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCC[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001366824442 895466639 /nfs/dbraw/zinc/46/66/39/895466639.db2.gz QZTZAKXSYSUNIO-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001366832943 895467516 /nfs/dbraw/zinc/46/75/16/895467516.db2.gz HXJBNWHVAAANJY-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366893275 895481675 /nfs/dbraw/zinc/48/16/75/895481675.db2.gz GEJKIWLFCAFERZ-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001366893275 895481679 /nfs/dbraw/zinc/48/16/79/895481679.db2.gz GEJKIWLFCAFERZ-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001366893275 895481684 /nfs/dbraw/zinc/48/16/84/895481684.db2.gz GEJKIWLFCAFERZ-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001366980827 895512062 /nfs/dbraw/zinc/51/20/62/895512062.db2.gz GCXBKQDGUXOYQF-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001366980827 895512070 /nfs/dbraw/zinc/51/20/70/895512070.db2.gz GCXBKQDGUXOYQF-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP COC[C@H](O)C[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001366990614 895516365 /nfs/dbraw/zinc/51/63/65/895516365.db2.gz HXIVZFGOSDOLFK-CYBMUJFWSA-N 2 1 287.404 -0.618 20 0 CBADMP COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001366993140 895521496 /nfs/dbraw/zinc/52/14/96/895521496.db2.gz LRMGRFCQWGJPAH-IGQOVBAYSA-N 2 1 297.399 -0.627 20 0 CBADMP COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001366993140 895521509 /nfs/dbraw/zinc/52/15/09/895521509.db2.gz LRMGRFCQWGJPAH-IGQOVBAYSA-N 2 1 297.399 -0.627 20 0 CBADMP COC[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001366993140 895521521 /nfs/dbraw/zinc/52/15/21/895521521.db2.gz LRMGRFCQWGJPAH-IGQOVBAYSA-N 2 1 297.399 -0.627 20 0 CBADMP COC[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001366993140 895521533 /nfs/dbraw/zinc/52/15/33/895521533.db2.gz LRMGRFCQWGJPAH-IGQOVBAYSA-N 2 1 297.399 -0.627 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001367010248 895527203 /nfs/dbraw/zinc/52/72/03/895527203.db2.gz KHOFOUSWXBWILK-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001367010248 895527213 /nfs/dbraw/zinc/52/72/13/895527213.db2.gz KHOFOUSWXBWILK-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCn2cncn2)C1)[NH+](C)C ZINC001367018248 895530901 /nfs/dbraw/zinc/53/09/01/895530901.db2.gz IFTZHSOOTULFSF-STQMWFEESA-N 2 1 294.403 -0.191 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1)[NH+](C)C ZINC001367018248 895530912 /nfs/dbraw/zinc/53/09/12/895530912.db2.gz IFTZHSOOTULFSF-STQMWFEESA-N 2 1 294.403 -0.191 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCn2cncn2)C1)[NH+](C)C ZINC001367018244 895532043 /nfs/dbraw/zinc/53/20/43/895532043.db2.gz IFTZHSOOTULFSF-QWHCGFSZSA-N 2 1 294.403 -0.191 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1)[NH+](C)C ZINC001367018244 895532051 /nfs/dbraw/zinc/53/20/51/895532051.db2.gz IFTZHSOOTULFSF-QWHCGFSZSA-N 2 1 294.403 -0.191 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001367032450 895537727 /nfs/dbraw/zinc/53/77/27/895537727.db2.gz KOUJDUOEHKVSMZ-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC001367036609 895542806 /nfs/dbraw/zinc/54/28/06/895542806.db2.gz YNECIKNISBMMCX-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)COC)C1 ZINC001367036609 895542820 /nfs/dbraw/zinc/54/28/20/895542820.db2.gz YNECIKNISBMMCX-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001367036609 895542836 /nfs/dbraw/zinc/54/28/36/895542836.db2.gz YNECIKNISBMMCX-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001367045221 895548452 /nfs/dbraw/zinc/54/84/52/895548452.db2.gz DDXYUTQXZLWMLO-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001367045221 895548456 /nfs/dbraw/zinc/54/84/56/895548456.db2.gz DDXYUTQXZLWMLO-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H](CNC(=O)CC[N@@H+](C)CC)[NH2+][C@@H]1CCNC1=O ZINC001367145553 895576077 /nfs/dbraw/zinc/57/60/77/895576077.db2.gz VCAGCCXKEQYYDS-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001367217608 895583318 /nfs/dbraw/zinc/58/33/18/895583318.db2.gz RVTXOCLYUXMLEG-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001367222081 895587187 /nfs/dbraw/zinc/58/71/87/895587187.db2.gz UZOLHHTZCGOBAB-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367240906 895592903 /nfs/dbraw/zinc/59/29/03/895592903.db2.gz NQNKFWNIWUVETO-YNEHKIRRSA-N 2 1 298.431 -0.195 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001367242894 895593579 /nfs/dbraw/zinc/59/35/79/895593579.db2.gz XXRFZDXRVDKZAG-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)NC1CC1 ZINC001367281278 895601242 /nfs/dbraw/zinc/60/12/42/895601242.db2.gz AYORWSIKBKVYGR-VXGBXAGGSA-N 2 1 296.415 -0.441 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001367368183 895624641 /nfs/dbraw/zinc/62/46/41/895624641.db2.gz FRHMFLKYUBHVJE-NSHDSACASA-N 2 1 295.387 -0.284 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001367537076 895656442 /nfs/dbraw/zinc/65/64/42/895656442.db2.gz YSZFGFVVYVCOST-GFCCVEGCSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001367537076 895656446 /nfs/dbraw/zinc/65/64/46/895656446.db2.gz YSZFGFVVYVCOST-GFCCVEGCSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(C)on1)[NH+](C)C ZINC001367591709 895688625 /nfs/dbraw/zinc/68/86/25/895688625.db2.gz CMRHGIRZVBTSGP-QWHCGFSZSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)oc1C ZINC001367601145 895694197 /nfs/dbraw/zinc/69/41/97/895694197.db2.gz LQYGVFJHFLEZJK-GFCCVEGCSA-N 2 1 298.387 -0.190 20 0 CBADMP C[C@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)c1ncccn1 ZINC001367607256 895698003 /nfs/dbraw/zinc/69/80/03/895698003.db2.gz XJCPZPNFKHVRJO-NWDGAFQWSA-N 2 1 295.387 -0.444 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001367677654 895738525 /nfs/dbraw/zinc/73/85/25/895738525.db2.gz XAZFGOHKVBOAOJ-SNVBAGLBSA-N 2 1 270.377 -0.689 20 0 CBADMP CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367681864 895743497 /nfs/dbraw/zinc/74/34/97/895743497.db2.gz AZULSTDOUIMRQY-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001367714517 895759564 /nfs/dbraw/zinc/75/95/64/895759564.db2.gz JFQXHAZMVKGBMK-GHMZBOCLSA-N 2 1 272.393 -0.445 20 0 CBADMP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001367740144 895782192 /nfs/dbraw/zinc/78/21/92/895782192.db2.gz JCYRSFPIVVQQLK-WDEREUQCSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CCC[NH+](C)C ZINC001367755718 895791445 /nfs/dbraw/zinc/79/14/45/895791445.db2.gz XNLWOHLTEZXJEZ-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367770363 895802409 /nfs/dbraw/zinc/80/24/09/895802409.db2.gz GYDNKZGAQIHHJY-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367770363 895802426 /nfs/dbraw/zinc/80/24/26/895802426.db2.gz GYDNKZGAQIHHJY-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367770529 895802833 /nfs/dbraw/zinc/80/28/33/895802833.db2.gz CVZANOHFJFVYDT-QWRGUYRKSA-N 2 1 270.377 -0.879 20 0 CBADMP CC[C@H](C(N)=O)N(C)C[C@H](C)NC(=O)CCn1ccnc1 ZINC001367820919 895823606 /nfs/dbraw/zinc/82/36/06/895823606.db2.gz OMYULBNUWWYIKS-NWDGAFQWSA-N 2 1 295.387 -0.026 20 0 CBADMP C[C@H](C[N@@H+](C)C[C@H](C)O)NC(=O)CC[NH+]1CCOCC1 ZINC001367840839 895828132 /nfs/dbraw/zinc/82/81/32/895828132.db2.gz ZSNVHCVGFWYFCP-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](C[N@H+](C)C[C@H](C)O)NC(=O)CC[NH+]1CCOCC1 ZINC001367840839 895828144 /nfs/dbraw/zinc/82/81/44/895828144.db2.gz ZSNVHCVGFWYFCP-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367907284 895851122 /nfs/dbraw/zinc/85/11/22/895851122.db2.gz MDDBUPAXCPCNKV-RYUDHWBXSA-N 2 1 282.388 -0.560 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001367926905 895853222 /nfs/dbraw/zinc/85/32/22/895853222.db2.gz WDAYDEKXSYTCRM-VXGBXAGGSA-N 2 1 282.388 -0.832 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1)C(=O)N(C)C ZINC001367993912 895882223 /nfs/dbraw/zinc/88/22/23/895882223.db2.gz XETPRPIJVQPCGW-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001368036335 895896869 /nfs/dbraw/zinc/89/68/69/895896869.db2.gz PXEXJFGYBSGMQI-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC(=O)NC)C1 ZINC001368178134 895930977 /nfs/dbraw/zinc/93/09/77/895930977.db2.gz MDCJPEFLEQAJGF-CQSZACIVSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](CC(=O)NC)C1 ZINC001368178134 895930983 /nfs/dbraw/zinc/93/09/83/895930983.db2.gz MDCJPEFLEQAJGF-CQSZACIVSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC)C1 ZINC001368178134 895930995 /nfs/dbraw/zinc/93/09/95/895930995.db2.gz MDCJPEFLEQAJGF-CQSZACIVSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001368172065 895930923 /nfs/dbraw/zinc/93/09/23/895930923.db2.gz FYVLQJAVCWISHS-RISCZKNCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001368172065 895930932 /nfs/dbraw/zinc/93/09/32/895930932.db2.gz FYVLQJAVCWISHS-RISCZKNCSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC(=O)NC)C1 ZINC001368178134 895930969 /nfs/dbraw/zinc/93/09/69/895930969.db2.gz MDCJPEFLEQAJGF-CQSZACIVSA-N 2 1 284.404 -0.345 20 0 CBADMP O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)C12CCC[NH+]1CCC2 ZINC001368261402 895947752 /nfs/dbraw/zinc/94/77/52/895947752.db2.gz NUBAUQIVCGWTOU-AWEZNQCLSA-N 2 1 297.399 -0.840 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001368291411 895965379 /nfs/dbraw/zinc/96/53/79/895965379.db2.gz VIDMMNORZBQWGG-CQSZACIVSA-N 2 1 296.371 -0.873 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001368291411 895965385 /nfs/dbraw/zinc/96/53/85/895965385.db2.gz VIDMMNORZBQWGG-CQSZACIVSA-N 2 1 296.371 -0.873 20 0 CBADMP C[NH+](C)CCC(=O)N1CCO[C@H](C[NH2+]Cc2ccon2)C1 ZINC001368504820 896021308 /nfs/dbraw/zinc/02/13/08/896021308.db2.gz KXARZASWSNJVDK-CYBMUJFWSA-N 2 1 296.371 -0.057 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001368499227 896021635 /nfs/dbraw/zinc/02/16/35/896021635.db2.gz QWKXCPHZDIGZMC-XJFOESAGSA-N 2 1 299.415 -0.428 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001368548485 896035100 /nfs/dbraw/zinc/03/51/00/896035100.db2.gz GJBXRQADVMIASH-XUXIUFHCSA-N 2 1 299.415 -0.164 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001368548485 896035110 /nfs/dbraw/zinc/03/51/10/896035110.db2.gz GJBXRQADVMIASH-XUXIUFHCSA-N 2 1 299.415 -0.164 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)CC[N@H+]1C ZINC001368649402 896050527 /nfs/dbraw/zinc/05/05/27/896050527.db2.gz GLLVTUHVAJPOHE-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+][C@H]1CCN(C)C1=O ZINC001368728046 896066446 /nfs/dbraw/zinc/06/64/46/896066446.db2.gz GWNRTWRQTLKDHM-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CC(C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001368820935 896091375 /nfs/dbraw/zinc/09/13/75/896091375.db2.gz AQVMRVRYVIQWIF-HIFPTAJRSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001368975353 896127398 /nfs/dbraw/zinc/12/73/98/896127398.db2.gz SVXXVSOYMFNKJH-RYUDHWBXSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001368975353 896127405 /nfs/dbraw/zinc/12/74/05/896127405.db2.gz SVXXVSOYMFNKJH-RYUDHWBXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)CC(=O)N(C)C ZINC001369001766 896131374 /nfs/dbraw/zinc/13/13/74/896131374.db2.gz RXJJIKPYSVIONV-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)CC(=O)N(C)C ZINC001369001766 896131383 /nfs/dbraw/zinc/13/13/83/896131383.db2.gz RXJJIKPYSVIONV-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC001369001766 896131390 /nfs/dbraw/zinc/13/13/90/896131390.db2.gz RXJJIKPYSVIONV-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001369001766 896131397 /nfs/dbraw/zinc/13/13/97/896131397.db2.gz RXJJIKPYSVIONV-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001368988252 896133085 /nfs/dbraw/zinc/13/30/85/896133085.db2.gz QVNQFCKHOYUUJG-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001368988252 896133090 /nfs/dbraw/zinc/13/30/90/896133090.db2.gz QVNQFCKHOYUUJG-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001368988252 896133091 /nfs/dbraw/zinc/13/30/91/896133091.db2.gz QVNQFCKHOYUUJG-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001369011264 896137085 /nfs/dbraw/zinc/13/70/85/896137085.db2.gz VUKWGBPJWUBNRG-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001369011264 896137091 /nfs/dbraw/zinc/13/70/91/896137091.db2.gz VUKWGBPJWUBNRG-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)C[NH+]1CCCC1 ZINC001452808262 914036989 /nfs/dbraw/zinc/03/69/89/914036989.db2.gz SEQCNTUENIFTLG-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001369127875 896159095 /nfs/dbraw/zinc/15/90/95/896159095.db2.gz XTKIEYXXIHRXOZ-LBPRGKRZSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001369127875 896159102 /nfs/dbraw/zinc/15/91/02/896159102.db2.gz XTKIEYXXIHRXOZ-LBPRGKRZSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001369127875 896159111 /nfs/dbraw/zinc/15/91/11/896159111.db2.gz XTKIEYXXIHRXOZ-LBPRGKRZSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001369127875 896159120 /nfs/dbraw/zinc/15/91/20/896159120.db2.gz XTKIEYXXIHRXOZ-LBPRGKRZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001369307561 896195539 /nfs/dbraw/zinc/19/55/39/896195539.db2.gz HTVYYJFRSQLLPU-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001369335091 896223398 /nfs/dbraw/zinc/22/33/98/896223398.db2.gz MHGGESOLBPNITM-VXGBXAGGSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001369335091 896223408 /nfs/dbraw/zinc/22/34/08/896223408.db2.gz MHGGESOLBPNITM-VXGBXAGGSA-N 2 1 294.403 -0.154 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cccnc1 ZINC001369356982 896237499 /nfs/dbraw/zinc/23/74/99/896237499.db2.gz YEJLBEDWEOJKQC-ZIAGYGMSSA-N 2 1 292.383 -0.258 20 0 CBADMP COCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001369518423 896306257 /nfs/dbraw/zinc/30/62/57/896306257.db2.gz ZAAIGKQZCDKJBC-ZDUSSCGKSA-N 2 1 298.387 -0.411 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001369518423 896306269 /nfs/dbraw/zinc/30/62/69/896306269.db2.gz ZAAIGKQZCDKJBC-ZDUSSCGKSA-N 2 1 298.387 -0.411 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C(=O)CC[NH+](C)C ZINC001369836470 896349281 /nfs/dbraw/zinc/34/92/81/896349281.db2.gz HGLQWFGMGFOBJJ-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001369843932 896351007 /nfs/dbraw/zinc/35/10/07/896351007.db2.gz NIDGTAOFNNIFRV-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001369866810 896354268 /nfs/dbraw/zinc/35/42/68/896354268.db2.gz BXUODSYRNGDTFJ-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCN1CC[NH+](CCCO)CC1 ZINC001369915591 896359239 /nfs/dbraw/zinc/35/92/39/896359239.db2.gz LUQMPJUOMKMTMN-CQSZACIVSA-N 2 1 298.431 -0.803 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001370018039 896394682 /nfs/dbraw/zinc/39/46/82/896394682.db2.gz OBRYIRUMTKWJTN-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001370548997 896440162 /nfs/dbraw/zinc/44/01/62/896440162.db2.gz RKFGEVLAOZVFJE-IJLUTSLNSA-N 2 1 282.388 -0.547 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001370613348 896446338 /nfs/dbraw/zinc/44/63/38/896446338.db2.gz FVHDZKUUAJHLRO-WUHRBBMRSA-N 2 1 285.388 -0.411 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001370613348 896446345 /nfs/dbraw/zinc/44/63/45/896446345.db2.gz FVHDZKUUAJHLRO-WUHRBBMRSA-N 2 1 285.388 -0.411 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001370703246 896483665 /nfs/dbraw/zinc/48/36/65/896483665.db2.gz LMGISJJEIWVFNN-PHIMTYICSA-N 2 1 295.391 -0.711 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001370703246 896483666 /nfs/dbraw/zinc/48/36/66/896483666.db2.gz LMGISJJEIWVFNN-PHIMTYICSA-N 2 1 295.391 -0.711 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001370732622 896490558 /nfs/dbraw/zinc/49/05/58/896490558.db2.gz MNQVZXYUVSGPFA-PHIMTYICSA-N 2 1 270.377 -0.691 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001370927205 896519833 /nfs/dbraw/zinc/51/98/33/896519833.db2.gz HAWYNZMVIPFHQI-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001371138717 896554868 /nfs/dbraw/zinc/55/48/68/896554868.db2.gz IRZALBCASIIOBF-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001371138771 896557481 /nfs/dbraw/zinc/55/74/81/896557481.db2.gz JHMOFLIJBPWGKP-CMPLNLGQSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCn1cncn1 ZINC001371192666 896573263 /nfs/dbraw/zinc/57/32/63/896573263.db2.gz XORTWGMOLIIPKA-JHJVBQTASA-N 2 1 294.403 -0.287 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001371411380 896604493 /nfs/dbraw/zinc/60/44/93/896604493.db2.gz UXRCJFUPCYXVNF-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001371426850 896609187 /nfs/dbraw/zinc/60/91/87/896609187.db2.gz KXFBHMRSKYOKGP-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001371426850 896609197 /nfs/dbraw/zinc/60/91/97/896609197.db2.gz KXFBHMRSKYOKGP-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001371682411 896650457 /nfs/dbraw/zinc/65/04/57/896650457.db2.gz BBYXCKYMYBWETR-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001371682411 896650462 /nfs/dbraw/zinc/65/04/62/896650462.db2.gz BBYXCKYMYBWETR-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCNC1=O ZINC001371968697 896697214 /nfs/dbraw/zinc/69/72/14/896697214.db2.gz IPCGWRRRLNGPIV-STQMWFEESA-N 2 1 294.399 -0.735 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCNC1=O ZINC001371968697 896697221 /nfs/dbraw/zinc/69/72/21/896697221.db2.gz IPCGWRRRLNGPIV-STQMWFEESA-N 2 1 294.399 -0.735 20 0 CBADMP C[NH+](CC(=O)NCC[N@H+](C)CCn1cncn1)C1CCC1 ZINC001372000402 896704522 /nfs/dbraw/zinc/70/45/22/896704522.db2.gz UWYZYYCJXPZSLP-UHFFFAOYSA-N 2 1 294.403 -0.190 20 0 CBADMP C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)CCn1cncn1 ZINC001372000402 896704535 /nfs/dbraw/zinc/70/45/35/896704535.db2.gz UWYZYYCJXPZSLP-UHFFFAOYSA-N 2 1 294.403 -0.190 20 0 CBADMP C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)CCn1cncn1 ZINC001372000402 896704544 /nfs/dbraw/zinc/70/45/44/896704544.db2.gz UWYZYYCJXPZSLP-UHFFFAOYSA-N 2 1 294.403 -0.190 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001372006073 896705065 /nfs/dbraw/zinc/70/50/65/896705065.db2.gz KKBXOLNWHMFWPW-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001372010000 896705795 /nfs/dbraw/zinc/70/57/95/896705795.db2.gz VNVXHRZTLZNKEV-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001372010000 896705802 /nfs/dbraw/zinc/70/58/02/896705802.db2.gz VNVXHRZTLZNKEV-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001372010000 896705811 /nfs/dbraw/zinc/70/58/11/896705811.db2.gz VNVXHRZTLZNKEV-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCn1cccn1 ZINC001372223632 896749666 /nfs/dbraw/zinc/74/96/66/896749666.db2.gz ZUQFRYGPNMVEOP-ZDUSSCGKSA-N 2 1 279.388 -0.117 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CCn1cccn1 ZINC001372223632 896749673 /nfs/dbraw/zinc/74/96/73/896749673.db2.gz ZUQFRYGPNMVEOP-ZDUSSCGKSA-N 2 1 279.388 -0.117 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCn1cccn1 ZINC001372223632 896749677 /nfs/dbraw/zinc/74/96/77/896749677.db2.gz ZUQFRYGPNMVEOP-ZDUSSCGKSA-N 2 1 279.388 -0.117 20 0 CBADMP CCN(C)C(=O)CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001372216470 896749872 /nfs/dbraw/zinc/74/98/72/896749872.db2.gz CGRADVHOYVJXST-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)CCn1cncn1 ZINC001372248277 896756162 /nfs/dbraw/zinc/75/61/62/896756162.db2.gz SRAFXKQPDQAAMG-UHFFFAOYSA-N 2 1 282.392 -0.334 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)CCn1cncn1 ZINC001372248277 896756170 /nfs/dbraw/zinc/75/61/70/896756170.db2.gz SRAFXKQPDQAAMG-UHFFFAOYSA-N 2 1 282.392 -0.334 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)CCn1cncn1 ZINC001372248277 896756179 /nfs/dbraw/zinc/75/61/79/896756179.db2.gz SRAFXKQPDQAAMG-UHFFFAOYSA-N 2 1 282.392 -0.334 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H](C)C(=O)NC ZINC001372397884 896781882 /nfs/dbraw/zinc/78/18/82/896781882.db2.gz QVXIRYSEVQLCHO-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H](C)C(=O)NC ZINC001372397884 896781894 /nfs/dbraw/zinc/78/18/94/896781894.db2.gz QVXIRYSEVQLCHO-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@@H](C)C(=O)NC ZINC001372397884 896781906 /nfs/dbraw/zinc/78/19/06/896781906.db2.gz QVXIRYSEVQLCHO-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@@H](C)C(=O)NC ZINC001372397884 896781917 /nfs/dbraw/zinc/78/19/17/896781917.db2.gz QVXIRYSEVQLCHO-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+]1CC(N)=O)C1CCC1 ZINC001372519582 896798162 /nfs/dbraw/zinc/79/81/62/896798162.db2.gz DYBRUZROAFAANW-LBPRGKRZSA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+]1CC(N)=O)C1CCC1 ZINC001372519582 896798169 /nfs/dbraw/zinc/79/81/69/896798169.db2.gz DYBRUZROAFAANW-LBPRGKRZSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O)C1CCC1 ZINC001372519582 896798178 /nfs/dbraw/zinc/79/81/78/896798178.db2.gz DYBRUZROAFAANW-LBPRGKRZSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O)C1CCC1 ZINC001372519582 896798186 /nfs/dbraw/zinc/79/81/86/896798186.db2.gz DYBRUZROAFAANW-LBPRGKRZSA-N 2 1 282.388 -0.463 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC)[NH+](C)C ZINC001372574287 896812438 /nfs/dbraw/zinc/81/24/38/896812438.db2.gz ZUOBJOLAOSDFMS-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC)[NH+](C)C ZINC001372574287 896812453 /nfs/dbraw/zinc/81/24/53/896812453.db2.gz ZUOBJOLAOSDFMS-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001372633403 896830655 /nfs/dbraw/zinc/83/06/55/896830655.db2.gz PPJNPAXBIMFKNU-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001372633403 896830673 /nfs/dbraw/zinc/83/06/73/896830673.db2.gz PPJNPAXBIMFKNU-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001372633403 896830691 /nfs/dbraw/zinc/83/06/91/896830691.db2.gz PPJNPAXBIMFKNU-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001372648304 896831841 /nfs/dbraw/zinc/83/18/41/896831841.db2.gz KCTCPSUMHRITPZ-QWRGUYRKSA-N 2 1 293.371 -0.475 20 0 CBADMP CNC(=O)[C@H](C)N1CC[C@@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001372648304 896831855 /nfs/dbraw/zinc/83/18/55/896831855.db2.gz KCTCPSUMHRITPZ-QWRGUYRKSA-N 2 1 293.371 -0.475 20 0 CBADMP CN1CCCC[C@@H]1C(=O)NCCN(CC(N)=O)C1CC1 ZINC001372828712 896878179 /nfs/dbraw/zinc/87/81/79/896878179.db2.gz AJFLBPUYAQXKCX-GFCCVEGCSA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCN(CC(N)=O)C1CC1 ZINC001372828712 896878171 /nfs/dbraw/zinc/87/81/71/896878171.db2.gz AJFLBPUYAQXKCX-GFCCVEGCSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H](O)C[N@H+](CCNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001372884143 896894651 /nfs/dbraw/zinc/89/46/51/896894651.db2.gz JYHPDYMFZSZVHY-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H](O)C[N@@H+](CCNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001372884143 896894667 /nfs/dbraw/zinc/89/46/67/896894667.db2.gz JYHPDYMFZSZVHY-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001372938953 896907697 /nfs/dbraw/zinc/90/76/97/896907697.db2.gz IYKQPVHGBNAXKG-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC)CC[N@H+]1C ZINC001372942199 896908478 /nfs/dbraw/zinc/90/84/78/896908478.db2.gz PZNZUTFAMOMVAH-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001372945009 896910004 /nfs/dbraw/zinc/91/00/04/896910004.db2.gz JNRCJRRGRMREKP-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001372950312 896913824 /nfs/dbraw/zinc/91/38/24/896913824.db2.gz MAUJPKFBIKCNCE-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC001373289593 896968901 /nfs/dbraw/zinc/96/89/01/896968901.db2.gz INTRJHYSDRAKBV-LBPRGKRZSA-N 2 1 296.415 -0.406 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@H]2CCNC2=O)C1 ZINC001373383010 896989273 /nfs/dbraw/zinc/98/92/73/896989273.db2.gz QVELECNETHZMPE-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@H]2CCNC2=O)C1 ZINC001373383010 896989281 /nfs/dbraw/zinc/98/92/81/896989281.db2.gz QVELECNETHZMPE-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001373383010 896989290 /nfs/dbraw/zinc/98/92/90/896989290.db2.gz QVELECNETHZMPE-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001373383010 896989295 /nfs/dbraw/zinc/98/92/95/896989295.db2.gz QVELECNETHZMPE-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1C[NH+](CCn2cncn2)C1 ZINC001373547812 897049660 /nfs/dbraw/zinc/04/96/60/897049660.db2.gz YTIMSKBEQJFZQY-UHFFFAOYSA-N 2 1 294.403 -0.332 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001373601931 897067080 /nfs/dbraw/zinc/06/70/80/897067080.db2.gz VAXDTIZQUQOCQA-LBPRGKRZSA-N 2 1 297.403 -0.846 20 0 CBADMP CC[NH+](CC)CC(=O)N(C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001373606667 897068509 /nfs/dbraw/zinc/06/85/09/897068509.db2.gz ZAOSEBRHOPHCBY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001373608264 897068959 /nfs/dbraw/zinc/06/89/59/897068959.db2.gz HFRHDPQTKWMJLZ-QWHCGFSZSA-N 2 1 297.399 -0.720 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001373612843 897071010 /nfs/dbraw/zinc/07/10/10/897071010.db2.gz AEMQUZWYCUVXNN-STQMWFEESA-N 2 1 296.371 -0.611 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001373612843 897071024 /nfs/dbraw/zinc/07/10/24/897071024.db2.gz AEMQUZWYCUVXNN-STQMWFEESA-N 2 1 296.371 -0.611 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001373630985 897079628 /nfs/dbraw/zinc/07/96/28/897079628.db2.gz PXEWQWIHAZRAJD-OCCSQVGLSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001373630985 897079641 /nfs/dbraw/zinc/07/96/41/897079641.db2.gz PXEWQWIHAZRAJD-OCCSQVGLSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001373630985 897079649 /nfs/dbraw/zinc/07/96/49/897079649.db2.gz PXEWQWIHAZRAJD-OCCSQVGLSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001373637876 897084401 /nfs/dbraw/zinc/08/44/01/897084401.db2.gz OBRYIRUMTKWJTN-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001373637970 897084778 /nfs/dbraw/zinc/08/47/78/897084778.db2.gz AHQROSRZVOYKSP-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001373637970 897084784 /nfs/dbraw/zinc/08/47/84/897084784.db2.gz AHQROSRZVOYKSP-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001373639540 897085402 /nfs/dbraw/zinc/08/54/02/897085402.db2.gz BHXCBUMBVUMLIY-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001373639540 897085416 /nfs/dbraw/zinc/08/54/16/897085416.db2.gz BHXCBUMBVUMLIY-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(N)=O ZINC001373757939 897116819 /nfs/dbraw/zinc/11/68/19/897116819.db2.gz KQBYPKNRELEPCG-JTQLQIEISA-N 2 1 270.377 -0.560 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001373896750 897134573 /nfs/dbraw/zinc/13/45/73/897134573.db2.gz JOCYMSYIBLYSEV-XHDPSFHLSA-N 2 1 296.415 -0.312 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001373914462 897137255 /nfs/dbraw/zinc/13/72/55/897137255.db2.gz FTXARVICRSZMDV-AVGNSLFASA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001374534228 897257548 /nfs/dbraw/zinc/25/75/48/897257548.db2.gz NVVZNXJPNSUBSD-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001374534228 897257563 /nfs/dbraw/zinc/25/75/63/897257563.db2.gz NVVZNXJPNSUBSD-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001374593680 897292282 /nfs/dbraw/zinc/29/22/82/897292282.db2.gz ZCEZOOVXSVZILM-QWHCGFSZSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001374593671 897293687 /nfs/dbraw/zinc/29/36/87/897293687.db2.gz ZCEZOOVXSVZILM-CHWSQXEVSA-N 2 1 296.371 -0.356 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001374610192 897309003 /nfs/dbraw/zinc/30/90/03/897309003.db2.gz YWRQEJZAMBGNAR-CYBMUJFWSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001374610192 897309019 /nfs/dbraw/zinc/30/90/19/897309019.db2.gz YWRQEJZAMBGNAR-CYBMUJFWSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001374610192 897309031 /nfs/dbraw/zinc/30/90/31/897309031.db2.gz YWRQEJZAMBGNAR-CYBMUJFWSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001374637187 897320641 /nfs/dbraw/zinc/32/06/41/897320641.db2.gz NTOJJECCGIASOY-WCQYABFASA-N 2 1 280.372 -0.159 20 0 CBADMP CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001374660368 897333246 /nfs/dbraw/zinc/33/32/46/897333246.db2.gz XXHZUGHWMRUWPN-YPMHNXCESA-N 2 1 280.372 -0.159 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001374739000 897367279 /nfs/dbraw/zinc/36/72/79/897367279.db2.gz UDHIZCWVAHASRD-GRYCIOLGSA-N 2 1 273.377 -0.818 20 0 CBADMP CCN(CC[NH2+][C@@H](C)c1nnnn1C)C(=O)CC[NH+](C)C ZINC001374747547 897371850 /nfs/dbraw/zinc/37/18/50/897371850.db2.gz BVJJKZRYUXGJND-NSHDSACASA-N 2 1 297.407 -0.339 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001374905240 897427422 /nfs/dbraw/zinc/42/74/22/897427422.db2.gz POZPLWCPOFIPAP-WCQYABFASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001374905240 897427434 /nfs/dbraw/zinc/42/74/34/897427434.db2.gz POZPLWCPOFIPAP-WCQYABFASA-N 2 1 294.403 -0.106 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001374918059 897430668 /nfs/dbraw/zinc/43/06/68/897430668.db2.gz JEKUMCVPZRMTFD-JTQLQIEISA-N 2 1 281.360 -0.578 20 0 CBADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001375058822 897468926 /nfs/dbraw/zinc/46/89/26/897468926.db2.gz XRIXXRSXFQAKEG-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001375058822 897468933 /nfs/dbraw/zinc/46/89/33/897468933.db2.gz XRIXXRSXFQAKEG-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001375074804 897473311 /nfs/dbraw/zinc/47/33/11/897473311.db2.gz RPCPLRLYORFSFO-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001375074804 897473318 /nfs/dbraw/zinc/47/33/18/897473318.db2.gz RPCPLRLYORFSFO-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001375096953 897475913 /nfs/dbraw/zinc/47/59/13/897475913.db2.gz VPGCESVYDYOQEW-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001375096953 897475924 /nfs/dbraw/zinc/47/59/24/897475924.db2.gz VPGCESVYDYOQEW-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001375098162 897477349 /nfs/dbraw/zinc/47/73/49/897477349.db2.gz ILCOBMBXXYHKPB-MNOVXSKESA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001375098162 897477356 /nfs/dbraw/zinc/47/73/56/897477356.db2.gz ILCOBMBXXYHKPB-MNOVXSKESA-N 2 1 272.393 -0.491 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC(=O)N(C)C ZINC001375145561 897482141 /nfs/dbraw/zinc/48/21/41/897482141.db2.gz CNSPLMJAQVFDCH-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC(=O)N(C)C ZINC001375145561 897482147 /nfs/dbraw/zinc/48/21/47/897482147.db2.gz CNSPLMJAQVFDCH-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001375145561 897482153 /nfs/dbraw/zinc/48/21/53/897482153.db2.gz CNSPLMJAQVFDCH-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001375145561 897482164 /nfs/dbraw/zinc/48/21/64/897482164.db2.gz CNSPLMJAQVFDCH-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CCCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001375153383 897489839 /nfs/dbraw/zinc/48/98/39/897489839.db2.gz DYHCCAAUCCRJAB-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001375153383 897489852 /nfs/dbraw/zinc/48/98/52/897489852.db2.gz DYHCCAAUCCRJAB-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001375153383 897489862 /nfs/dbraw/zinc/48/98/62/897489862.db2.gz DYHCCAAUCCRJAB-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001375153383 897489871 /nfs/dbraw/zinc/48/98/71/897489871.db2.gz DYHCCAAUCCRJAB-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001375540855 897562286 /nfs/dbraw/zinc/56/22/86/897562286.db2.gz HQJDWVLEDAJRRV-JHJVBQTASA-N 2 1 296.415 -0.441 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001375547633 897563434 /nfs/dbraw/zinc/56/34/34/897563434.db2.gz LLDMMSSZMYWGEA-LBPRGKRZSA-N 2 1 296.415 -0.027 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001375769282 897606935 /nfs/dbraw/zinc/60/69/35/897606935.db2.gz XPRSKYWHJNPCKI-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCOCC1 ZINC001375982583 897627053 /nfs/dbraw/zinc/62/70/53/897627053.db2.gz KOYAOJPEZKCYOC-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCOCC1 ZINC001375982583 897627060 /nfs/dbraw/zinc/62/70/60/897627060.db2.gz KOYAOJPEZKCYOC-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376076752 897647382 /nfs/dbraw/zinc/64/73/82/897647382.db2.gz XGTKYILKSIIYRG-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376076752 897647393 /nfs/dbraw/zinc/64/73/93/897647393.db2.gz XGTKYILKSIIYRG-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCN2CC[NH+](CCCO)CC2)C1 ZINC001376104516 897654353 /nfs/dbraw/zinc/65/43/53/897654353.db2.gz NODHYIDVYRRBOO-CQSZACIVSA-N 2 1 298.431 -0.946 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376135869 897669018 /nfs/dbraw/zinc/66/90/18/897669018.db2.gz RWRGCVBBHJJRFI-OLZOCXBDSA-N 2 1 299.415 -0.332 20 0 CBADMP CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001376156568 897675545 /nfs/dbraw/zinc/67/55/45/897675545.db2.gz VHUVAKHEVHSNAT-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001376156568 897675553 /nfs/dbraw/zinc/67/55/53/897675553.db2.gz VHUVAKHEVHSNAT-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCn2ccnc2)C1 ZINC001376150960 897677245 /nfs/dbraw/zinc/67/72/45/897677245.db2.gz VSXQJNSUNYFCPV-STQMWFEESA-N 2 1 296.371 -0.529 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001376303144 897706244 /nfs/dbraw/zinc/70/62/44/897706244.db2.gz KUPODVDXRHLOTJ-TUAOUCFPSA-N 2 1 282.388 -0.608 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376408382 897727029 /nfs/dbraw/zinc/72/70/29/897727029.db2.gz NMPWSYZSBYJULB-SRVKXCTJSA-N 2 1 282.388 -0.689 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001376445247 897735839 /nfs/dbraw/zinc/73/58/39/897735839.db2.gz VRTCODXNRZTBTM-NDBYEHHHSA-N 2 1 285.388 -0.411 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001376445247 897735846 /nfs/dbraw/zinc/73/58/46/897735846.db2.gz VRTCODXNRZTBTM-NDBYEHHHSA-N 2 1 285.388 -0.411 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001376470629 897749386 /nfs/dbraw/zinc/74/93/86/897749386.db2.gz SZTSKTRCXFVJMW-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)[NH+](C)C ZINC001376470028 897749459 /nfs/dbraw/zinc/74/94/59/897749459.db2.gz QBPDOMAZQZGBRO-OUAUKWLOSA-N 2 1 295.391 -0.713 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001376469497 897750642 /nfs/dbraw/zinc/75/06/42/897750642.db2.gz NBGZWIOLINDHFG-NDBYEHHHSA-N 2 1 296.415 -0.158 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001376491889 897756298 /nfs/dbraw/zinc/75/62/98/897756298.db2.gz NSCGDHZJLBMEQO-UTUOFQBUSA-N 2 1 284.404 -0.301 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001376495164 897758848 /nfs/dbraw/zinc/75/88/48/897758848.db2.gz RKFGEVLAOZVFJE-TUAOUCFPSA-N 2 1 282.388 -0.547 20 0 CBADMP CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376503685 897760483 /nfs/dbraw/zinc/76/04/83/897760483.db2.gz RZJUGWOETVIYBM-UPJWGTAASA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001376504738 897763297 /nfs/dbraw/zinc/76/32/97/897763297.db2.gz SMQODEUTUZOWGC-MPZDIEGVSA-N 2 1 296.415 -0.158 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001376546713 897774143 /nfs/dbraw/zinc/77/41/43/897774143.db2.gz YWISOWLSOXRQTG-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001376546713 897774150 /nfs/dbraw/zinc/77/41/50/897774150.db2.gz YWISOWLSOXRQTG-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376609655 897782992 /nfs/dbraw/zinc/78/29/92/897782992.db2.gz LRUNNKWCQXGZLI-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376609658 897783502 /nfs/dbraw/zinc/78/35/02/897783502.db2.gz LRUNNKWCQXGZLI-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001376788614 897847106 /nfs/dbraw/zinc/84/71/06/897847106.db2.gz CTIXSHFHPZSDGZ-AGIUHOORSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001376811553 897853095 /nfs/dbraw/zinc/85/30/95/897853095.db2.gz VNFNLRBAOOOCGX-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001376803982 897853261 /nfs/dbraw/zinc/85/32/61/897853261.db2.gz SYJKVWLMCYTLTO-VXGBXAGGSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001376851526 897867550 /nfs/dbraw/zinc/86/75/50/897867550.db2.gz DKNLWXJTRBCBFQ-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001376851526 897867556 /nfs/dbraw/zinc/86/75/56/897867556.db2.gz DKNLWXJTRBCBFQ-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001376851619 897868102 /nfs/dbraw/zinc/86/81/02/897868102.db2.gz DRBREARTLIRACS-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001376845918 897868667 /nfs/dbraw/zinc/86/86/67/897868667.db2.gz GJECBSXDXWOZSV-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001376845918 897868676 /nfs/dbraw/zinc/86/86/76/897868676.db2.gz GJECBSXDXWOZSV-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376882179 897878608 /nfs/dbraw/zinc/87/86/08/897878608.db2.gz NOCJYDKIOHDYDD-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnn(C)n1 ZINC001376886018 897879267 /nfs/dbraw/zinc/87/92/67/897879267.db2.gz SCIFTZZMRPMGMH-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001376903229 897887173 /nfs/dbraw/zinc/88/71/73/897887173.db2.gz XMSAVXPEGUIDQQ-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376933615 897894756 /nfs/dbraw/zinc/89/47/56/897894756.db2.gz WBPRMHRCQIOZKO-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001376960604 897900617 /nfs/dbraw/zinc/90/06/17/897900617.db2.gz GNFPERJIAMVVAE-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001376960604 897900625 /nfs/dbraw/zinc/90/06/25/897900625.db2.gz GNFPERJIAMVVAE-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376960604 897900629 /nfs/dbraw/zinc/90/06/29/897900629.db2.gz GNFPERJIAMVVAE-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001376960602 897902163 /nfs/dbraw/zinc/90/21/63/897902163.db2.gz GNFPERJIAMVVAE-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376960602 897902172 /nfs/dbraw/zinc/90/21/72/897902172.db2.gz GNFPERJIAMVVAE-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376960602 897902184 /nfs/dbraw/zinc/90/21/84/897902184.db2.gz GNFPERJIAMVVAE-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001376971436 897903701 /nfs/dbraw/zinc/90/37/01/897903701.db2.gz KPOXJMAUFMCRCJ-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001377009428 897912512 /nfs/dbraw/zinc/91/25/12/897912512.db2.gz FEAJCDRTZGMLQT-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001377171780 897960049 /nfs/dbraw/zinc/96/00/49/897960049.db2.gz CDZWQTWTKWKVKN-RYUDHWBXSA-N 2 1 286.420 -0.116 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001377171780 897960060 /nfs/dbraw/zinc/96/00/60/897960060.db2.gz CDZWQTWTKWKVKN-RYUDHWBXSA-N 2 1 286.420 -0.116 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCCNC1=O ZINC001377231622 897977371 /nfs/dbraw/zinc/97/73/71/897977371.db2.gz UJXVKXMAGSTSSK-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCCNC1=O ZINC001377231622 897977374 /nfs/dbraw/zinc/97/73/74/897977374.db2.gz UJXVKXMAGSTSSK-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CCCNC1=O ZINC001377231622 897977382 /nfs/dbraw/zinc/97/73/82/897977382.db2.gz UJXVKXMAGSTSSK-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CCCNC1=O ZINC001377231622 897977387 /nfs/dbraw/zinc/97/73/87/897977387.db2.gz UJXVKXMAGSTSSK-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001377260128 897989980 /nfs/dbraw/zinc/98/99/80/897989980.db2.gz HYHWPLHJMINSEY-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001377260128 897989983 /nfs/dbraw/zinc/98/99/83/897989983.db2.gz HYHWPLHJMINSEY-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377260128 897989985 /nfs/dbraw/zinc/98/99/85/897989985.db2.gz HYHWPLHJMINSEY-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377260128 897989987 /nfs/dbraw/zinc/98/99/87/897989987.db2.gz HYHWPLHJMINSEY-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP CN1CCC[C@H]([N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001377261340 897990254 /nfs/dbraw/zinc/99/02/54/897990254.db2.gz OETFMAJLTPEOLV-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CCC[C@H]([N@@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001377261340 897990261 /nfs/dbraw/zinc/99/02/61/897990261.db2.gz OETFMAJLTPEOLV-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CCC[C@H]([NH+](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001377261340 897990268 /nfs/dbraw/zinc/99/02/68/897990268.db2.gz OETFMAJLTPEOLV-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CCC[C@H]([NH+](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001377261340 897990275 /nfs/dbraw/zinc/99/02/75/897990275.db2.gz OETFMAJLTPEOLV-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)C[C@H](C)OC)C1 ZINC001377264248 897993824 /nfs/dbraw/zinc/99/38/24/897993824.db2.gz AOSUECZLKSBXPQ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)C[C@H](C)OC)C1 ZINC001377264248 897993833 /nfs/dbraw/zinc/99/38/33/897993833.db2.gz AOSUECZLKSBXPQ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)C[C@H](C)OC)C1 ZINC001377264248 897993837 /nfs/dbraw/zinc/99/38/37/897993837.db2.gz AOSUECZLKSBXPQ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)C[C@H](C)OC)C1 ZINC001377264248 897993844 /nfs/dbraw/zinc/99/38/44/897993844.db2.gz AOSUECZLKSBXPQ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001377268042 897995284 /nfs/dbraw/zinc/99/52/84/897995284.db2.gz ZUHAWOSZRYWJNH-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001377268042 897995291 /nfs/dbraw/zinc/99/52/91/897995291.db2.gz ZUHAWOSZRYWJNH-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](C)[C@@H](CC)C(N)=O)[NH+](C)C ZINC001377295877 898004511 /nfs/dbraw/zinc/00/45/11/898004511.db2.gz GFBZKYNTZCPMPW-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@@H](CC)C(N)=O)[NH+](C)C ZINC001377295877 898004521 /nfs/dbraw/zinc/00/45/21/898004521.db2.gz GFBZKYNTZCPMPW-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCNC1=O ZINC001377306460 898007938 /nfs/dbraw/zinc/00/79/38/898007938.db2.gz VETNABDRXSBMBD-LLVKDONJSA-N 2 1 280.372 -0.981 20 0 CBADMP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCNC1=O ZINC001377306460 898007949 /nfs/dbraw/zinc/00/79/49/898007949.db2.gz VETNABDRXSBMBD-LLVKDONJSA-N 2 1 280.372 -0.981 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001377316502 898011085 /nfs/dbraw/zinc/01/10/85/898011085.db2.gz CFJGFOIIBABAII-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001377316502 898011096 /nfs/dbraw/zinc/01/10/96/898011096.db2.gz CFJGFOIIBABAII-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCN(CCNC(=O)Cn1ccnc1)[C@H]1CCCNC1=O ZINC001377387148 898032863 /nfs/dbraw/zinc/03/28/63/898032863.db2.gz XNCRPZKAKLZSMQ-LBPRGKRZSA-N 2 1 293.371 -0.400 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001377395823 898034924 /nfs/dbraw/zinc/03/49/24/898034924.db2.gz DSRSVFHLPHSIOL-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001377395823 898034937 /nfs/dbraw/zinc/03/49/37/898034937.db2.gz DSRSVFHLPHSIOL-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001377395823 898034950 /nfs/dbraw/zinc/03/49/50/898034950.db2.gz DSRSVFHLPHSIOL-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001377395823 898034964 /nfs/dbraw/zinc/03/49/64/898034964.db2.gz DSRSVFHLPHSIOL-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](CCNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]CC(N)=O ZINC001377451847 898053284 /nfs/dbraw/zinc/05/32/84/898053284.db2.gz BKLRJCWGEXVJDH-VIFPVBQESA-N 2 1 297.359 -0.681 20 0 CBADMP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CC(N)=O ZINC001377498497 898065351 /nfs/dbraw/zinc/06/53/51/898065351.db2.gz SFMIXGHRTDPDSS-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CC(N)=O ZINC001377498497 898065364 /nfs/dbraw/zinc/06/53/64/898065364.db2.gz SFMIXGHRTDPDSS-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)CC(N)=O ZINC001377498497 898065382 /nfs/dbraw/zinc/06/53/82/898065382.db2.gz SFMIXGHRTDPDSS-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)CC(N)=O ZINC001377498497 898065397 /nfs/dbraw/zinc/06/53/97/898065397.db2.gz SFMIXGHRTDPDSS-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CO[C@H](C)C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001377519028 898074362 /nfs/dbraw/zinc/07/43/62/898074362.db2.gz SLASPDYUMMDVLR-OCCSQVGLSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@H](C)C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001377519028 898074370 /nfs/dbraw/zinc/07/43/70/898074370.db2.gz SLASPDYUMMDVLR-OCCSQVGLSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@H](C)C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001377519028 898074376 /nfs/dbraw/zinc/07/43/76/898074376.db2.gz SLASPDYUMMDVLR-OCCSQVGLSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@H](C)C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001377519028 898074382 /nfs/dbraw/zinc/07/43/82/898074382.db2.gz SLASPDYUMMDVLR-OCCSQVGLSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001377543061 898081956 /nfs/dbraw/zinc/08/19/56/898081956.db2.gz CWSMQBWCZIKXNB-CHWSQXEVSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001377543061 898081966 /nfs/dbraw/zinc/08/19/66/898081966.db2.gz CWSMQBWCZIKXNB-CHWSQXEVSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(N)=O)[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001377543061 898081973 /nfs/dbraw/zinc/08/19/73/898081973.db2.gz CWSMQBWCZIKXNB-CHWSQXEVSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(N)=O)[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001377543061 898081979 /nfs/dbraw/zinc/08/19/79/898081979.db2.gz CWSMQBWCZIKXNB-CHWSQXEVSA-N 2 1 296.415 -0.075 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001377574572 898090446 /nfs/dbraw/zinc/09/04/46/898090446.db2.gz CKACOYLQLBDBDH-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+][C@@H]2CCNC2=O)CC[N@H+]1C ZINC001377577062 898094273 /nfs/dbraw/zinc/09/42/73/898094273.db2.gz CXATWVQZGGXYNU-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H]1CCN(CC)C1=O ZINC001377587540 898099851 /nfs/dbraw/zinc/09/98/51/898099851.db2.gz DINPGBSWZWSPLG-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001377597079 898101210 /nfs/dbraw/zinc/10/12/10/898101210.db2.gz JGBYHVFAXOYJSW-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP COC[C@@H](O)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001377712308 898121416 /nfs/dbraw/zinc/12/14/16/898121416.db2.gz KYXUTOSLOJWWES-CLRIEMFWSA-N 2 1 299.415 -0.428 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001377715535 898121853 /nfs/dbraw/zinc/12/18/53/898121853.db2.gz AIKNBGCCRMWKJN-RYUDHWBXSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001377715535 898121855 /nfs/dbraw/zinc/12/18/55/898121855.db2.gz AIKNBGCCRMWKJN-RYUDHWBXSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001377715535 898121857 /nfs/dbraw/zinc/12/18/57/898121857.db2.gz AIKNBGCCRMWKJN-RYUDHWBXSA-N 2 1 282.388 -0.748 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001377715462 898122301 /nfs/dbraw/zinc/12/23/01/898122301.db2.gz AIKNBGCCRMWKJN-NEPJUHHUSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001377715462 898122312 /nfs/dbraw/zinc/12/23/12/898122312.db2.gz AIKNBGCCRMWKJN-NEPJUHHUSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001377715462 898122318 /nfs/dbraw/zinc/12/23/18/898122318.db2.gz AIKNBGCCRMWKJN-NEPJUHHUSA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001377849109 898145830 /nfs/dbraw/zinc/14/58/30/898145830.db2.gz MPJUVBWWOAGGGL-MNOVXSKESA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001377849111 898147731 /nfs/dbraw/zinc/14/77/31/898147731.db2.gz MPJUVBWWOAGGGL-QWRGUYRKSA-N 2 1 282.392 -0.250 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001377993444 898193790 /nfs/dbraw/zinc/19/37/90/898193790.db2.gz ABUZWIAJEPGCBG-JSGCOSHPSA-N 2 1 299.415 -0.617 20 0 CBADMP CC(C)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378168268 898257147 /nfs/dbraw/zinc/25/71/47/898257147.db2.gz YDORHTWBBKJYJI-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378168268 898257160 /nfs/dbraw/zinc/25/71/60/898257160.db2.gz YDORHTWBBKJYJI-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC ZINC001378241180 898287397 /nfs/dbraw/zinc/28/73/97/898287397.db2.gz FPXHUKKBSGVEOB-QWRGUYRKSA-N 2 1 270.377 -0.689 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001378347317 898320939 /nfs/dbraw/zinc/32/09/39/898320939.db2.gz UOPNILUZHQEDTB-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001378347317 898320957 /nfs/dbraw/zinc/32/09/57/898320957.db2.gz UOPNILUZHQEDTB-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378360603 898323569 /nfs/dbraw/zinc/32/35/69/898323569.db2.gz YDBHVJNKEYSLJK-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001378512303 898340161 /nfs/dbraw/zinc/34/01/61/898340161.db2.gz MMKBOWOFMIGPPW-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001378513825 898342324 /nfs/dbraw/zinc/34/23/24/898342324.db2.gz RVTXOCLYUXMLEG-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)NC ZINC001378569909 898355690 /nfs/dbraw/zinc/35/56/90/898355690.db2.gz UWLRLFBGOHVDSI-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001378561292 898356662 /nfs/dbraw/zinc/35/66/62/898356662.db2.gz QKDLIMVAAYGGSL-QWRGUYRKSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1nnn(C)n1)[NH+](C)C ZINC001378580142 898359870 /nfs/dbraw/zinc/35/98/70/898359870.db2.gz NNRDWGHYECWOBH-WDEREUQCSA-N 2 1 297.407 -0.608 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001378580081 898360873 /nfs/dbraw/zinc/36/08/73/898360873.db2.gz VNRDAXGPOUTJME-YPMHNXCESA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001378580081 898360890 /nfs/dbraw/zinc/36/08/90/898360890.db2.gz VNRDAXGPOUTJME-YPMHNXCESA-N 2 1 296.415 -0.347 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001378595872 898361820 /nfs/dbraw/zinc/36/18/20/898361820.db2.gz ZRHOFDOHOKJPQJ-RWMBFGLXSA-N 2 1 287.404 -0.570 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001378595869 898361944 /nfs/dbraw/zinc/36/19/44/898361944.db2.gz ZRHOFDOHOKJPQJ-FRRDWIJNSA-N 2 1 287.404 -0.570 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]CC(N)=O ZINC001378609845 898365548 /nfs/dbraw/zinc/36/55/48/898365548.db2.gz CRGZPMCRLGMWNJ-QWRGUYRKSA-N 2 1 270.377 -0.845 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001378780246 898408531 /nfs/dbraw/zinc/40/85/31/898408531.db2.gz AMSQXCRUEWRKCG-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001378889026 898427998 /nfs/dbraw/zinc/42/79/98/898427998.db2.gz AVMIUABDMXDEKW-JOCQHMNTSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001379036402 898447793 /nfs/dbraw/zinc/44/77/93/898447793.db2.gz VQRFFFIMRIYTRB-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379036402 898447801 /nfs/dbraw/zinc/44/78/01/898447801.db2.gz VQRFFFIMRIYTRB-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379036402 898447807 /nfs/dbraw/zinc/44/78/07/898447807.db2.gz VQRFFFIMRIYTRB-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001379036402 898447779 /nfs/dbraw/zinc/44/77/79/898447779.db2.gz VQRFFFIMRIYTRB-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001379100256 898464785 /nfs/dbraw/zinc/46/47/85/898464785.db2.gz GBMWYBVNEBYXLF-GHMZBOCLSA-N 2 1 295.391 -0.759 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001379100256 898464787 /nfs/dbraw/zinc/46/47/87/898464787.db2.gz GBMWYBVNEBYXLF-GHMZBOCLSA-N 2 1 295.391 -0.759 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)[C@@H]2CCNC2=O)C1 ZINC001379100842 898466368 /nfs/dbraw/zinc/46/63/68/898466368.db2.gz UAXGCARXSUSCLG-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)[C@@H]2CCNC2=O)C1 ZINC001379100842 898466374 /nfs/dbraw/zinc/46/63/74/898466374.db2.gz UAXGCARXSUSCLG-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001379100842 898466382 /nfs/dbraw/zinc/46/63/82/898466382.db2.gz UAXGCARXSUSCLG-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001379100842 898466387 /nfs/dbraw/zinc/46/63/87/898466387.db2.gz UAXGCARXSUSCLG-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001379132079 898473627 /nfs/dbraw/zinc/47/36/27/898473627.db2.gz NUERQIUGRCQYKP-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001379132079 898473633 /nfs/dbraw/zinc/47/36/33/898473633.db2.gz NUERQIUGRCQYKP-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@H](CC[NH+]2CC(N)=O)C1 ZINC001379147235 898474466 /nfs/dbraw/zinc/47/44/66/898474466.db2.gz HPDRFYCSXBIMNU-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(N)=O)C1 ZINC001379147235 898474472 /nfs/dbraw/zinc/47/44/72/898474472.db2.gz HPDRFYCSXBIMNU-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(N)=O)C1 ZINC001379147235 898474476 /nfs/dbraw/zinc/47/44/76/898474476.db2.gz HPDRFYCSXBIMNU-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001379191105 898497266 /nfs/dbraw/zinc/49/72/66/898497266.db2.gz PADIWMOWPJNEIH-MWLCHTKSSA-N 2 1 281.360 -0.498 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnns1 ZINC001379188148 898498036 /nfs/dbraw/zinc/49/80/36/898498036.db2.gz LTAZRMPABZGEAU-ONGXEEELSA-N 2 1 299.400 -0.801 20 0 CBADMP COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001379223466 898511805 /nfs/dbraw/zinc/51/18/05/898511805.db2.gz BOVVIETUJMTEQK-ZYHUDNBSSA-N 2 1 284.360 -0.707 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccn2)C1 ZINC001379290166 898539394 /nfs/dbraw/zinc/53/93/94/898539394.db2.gz QYPWVNGQZPBEIM-JSGCOSHPSA-N 2 1 292.383 -0.400 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001379325714 898552035 /nfs/dbraw/zinc/55/20/35/898552035.db2.gz LHFINHKHKIYTHV-PWSUYJOCSA-N 2 1 293.371 -0.483 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001379325702 898552518 /nfs/dbraw/zinc/55/25/18/898552518.db2.gz LHFINHKHKIYTHV-CMPLNLGQSA-N 2 1 293.371 -0.483 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1cnnn1C ZINC001379390155 898598360 /nfs/dbraw/zinc/59/83/60/898598360.db2.gz ZKNMZFGQRRUDRF-SNVBAGLBSA-N 2 1 291.359 -0.385 20 0 CBADMP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379447260 898618924 /nfs/dbraw/zinc/61/89/24/898618924.db2.gz GCFREBSDZQGEID-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CCn1cc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001379461858 898621072 /nfs/dbraw/zinc/62/10/72/898621072.db2.gz UOKOEQFGGGHLSE-NEPJUHHUSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1cc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001379461858 898621082 /nfs/dbraw/zinc/62/10/82/898621082.db2.gz UOKOEQFGGGHLSE-NEPJUHHUSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1cc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001379461858 898621085 /nfs/dbraw/zinc/62/10/85/898621085.db2.gz UOKOEQFGGGHLSE-NEPJUHHUSA-N 2 1 294.403 -0.156 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]C[C@@H](C)O ZINC001379479313 898632424 /nfs/dbraw/zinc/63/24/24/898632424.db2.gz BXRLTSCHYBZIOP-VXGBXAGGSA-N 2 1 298.387 -0.546 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001379518829 898654568 /nfs/dbraw/zinc/65/45/68/898654568.db2.gz JTSWRCHHAKXHSI-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccns2)C1 ZINC001379529601 898657216 /nfs/dbraw/zinc/65/72/16/898657216.db2.gz QLFCKZKBPUJANK-QWRGUYRKSA-N 2 1 298.412 -0.339 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccns2)C1 ZINC001379529601 898657222 /nfs/dbraw/zinc/65/72/22/898657222.db2.gz QLFCKZKBPUJANK-QWRGUYRKSA-N 2 1 298.412 -0.339 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001379554262 898666459 /nfs/dbraw/zinc/66/64/59/898666459.db2.gz IHYGRFNMYYJKDP-JTQLQIEISA-N 2 1 281.360 -0.414 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001379565494 898668339 /nfs/dbraw/zinc/66/83/39/898668339.db2.gz GEESQMIWQZQEEB-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001379592245 898677846 /nfs/dbraw/zinc/67/78/46/898677846.db2.gz BNXUXUYUKONTBE-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2 ZINC001379641001 898690715 /nfs/dbraw/zinc/69/07/15/898690715.db2.gz XGXLBYJADHWBJW-FZMZJTMJSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2 ZINC001379641001 898690718 /nfs/dbraw/zinc/69/07/18/898690718.db2.gz XGXLBYJADHWBJW-FZMZJTMJSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001379694490 898703199 /nfs/dbraw/zinc/70/31/99/898703199.db2.gz JCIHVTJRCOMUOM-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001379694490 898703205 /nfs/dbraw/zinc/70/32/05/898703205.db2.gz JCIHVTJRCOMUOM-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC(=O)N1CCC1 ZINC001379807570 898736097 /nfs/dbraw/zinc/73/60/97/898736097.db2.gz YPOSOJVCHADZGZ-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N1CCC1 ZINC001379807570 898736102 /nfs/dbraw/zinc/73/61/02/898736102.db2.gz YPOSOJVCHADZGZ-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC(=O)N1CCC1 ZINC001379807570 898736109 /nfs/dbraw/zinc/73/61/09/898736109.db2.gz YPOSOJVCHADZGZ-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC(=O)N1CCC1 ZINC001379807570 898736117 /nfs/dbraw/zinc/73/61/17/898736117.db2.gz YPOSOJVCHADZGZ-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP Cn1ncnc1C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001379890958 898756052 /nfs/dbraw/zinc/75/60/52/898756052.db2.gz GBQPMDDDUGQWDM-LBPRGKRZSA-N 2 1 294.403 -0.249 20 0 CBADMP CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380174883 898828442 /nfs/dbraw/zinc/82/84/42/898828442.db2.gz HIMSUCIIDKOKLC-PNESKVBLSA-N 2 1 296.415 -0.395 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001380375761 898869028 /nfs/dbraw/zinc/86/90/28/898869028.db2.gz GIVWKEBBLLVKDU-FZMZJTMJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001380375761 898869045 /nfs/dbraw/zinc/86/90/45/898869045.db2.gz GIVWKEBBLLVKDU-FZMZJTMJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001380375761 898869051 /nfs/dbraw/zinc/86/90/51/898869051.db2.gz GIVWKEBBLLVKDU-FZMZJTMJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001380375761 898869066 /nfs/dbraw/zinc/86/90/66/898869066.db2.gz GIVWKEBBLLVKDU-FZMZJTMJSA-N 2 1 284.404 -0.217 20 0 CBADMP O=C(NC[C@@]1(O)CC[N@H+](CCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001380531472 898888742 /nfs/dbraw/zinc/88/87/42/898888742.db2.gz GFZYNEHGPSLTOU-ZFWWWQNUSA-N 2 1 299.390 -0.149 20 0 CBADMP O=C(NC[C@@]1(O)CC[N@@H+](CCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001380531472 898888749 /nfs/dbraw/zinc/88/87/49/898888749.db2.gz GFZYNEHGPSLTOU-ZFWWWQNUSA-N 2 1 299.390 -0.149 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001380557643 898896785 /nfs/dbraw/zinc/89/67/85/898896785.db2.gz VLHVOVKBFUSCHV-OAHLLOKOSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001380562283 898900899 /nfs/dbraw/zinc/90/08/99/898900899.db2.gz BTYVIQIIELEIER-DOMZBBRYSA-N 2 1 297.399 -0.984 20 0 CBADMP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1)[NH+](C)C ZINC001380566557 898903685 /nfs/dbraw/zinc/90/36/85/898903685.db2.gz QLJFDXGFUYTPFY-JSGCOSHPSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001380565854 898903752 /nfs/dbraw/zinc/90/37/52/898903752.db2.gz JOFJTQGTQBRTFH-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001380565854 898903759 /nfs/dbraw/zinc/90/37/59/898903759.db2.gz JOFJTQGTQBRTFH-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001380565854 898903766 /nfs/dbraw/zinc/90/37/66/898903766.db2.gz JOFJTQGTQBRTFH-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001380565854 898903775 /nfs/dbraw/zinc/90/37/75/898903775.db2.gz JOFJTQGTQBRTFH-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1)[NH+](C)C ZINC001380566564 898904368 /nfs/dbraw/zinc/90/43/68/898904368.db2.gz QLJFDXGFUYTPFY-TZMCWYRMSA-N 2 1 287.404 -0.738 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+]CCO)CC1 ZINC001380711582 898936938 /nfs/dbraw/zinc/93/69/38/898936938.db2.gz ITNKKOLSKOMMOG-AWEZNQCLSA-N 2 1 298.431 -0.757 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(N)=O ZINC001380757839 898945627 /nfs/dbraw/zinc/94/56/27/898945627.db2.gz NNFAASODMPHRHW-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(N)=O ZINC001380757839 898945632 /nfs/dbraw/zinc/94/56/32/898945632.db2.gz NNFAASODMPHRHW-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001380757839 898945644 /nfs/dbraw/zinc/94/56/44/898945644.db2.gz NNFAASODMPHRHW-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001380757839 898945650 /nfs/dbraw/zinc/94/56/50/898945650.db2.gz NNFAASODMPHRHW-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001380908163 898971102 /nfs/dbraw/zinc/97/11/02/898971102.db2.gz CEZFCPROHULDAO-STQMWFEESA-N 2 1 296.371 -0.611 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001380970690 898980822 /nfs/dbraw/zinc/98/08/22/898980822.db2.gz LCDNVVNDRKICDY-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001381148119 899006663 /nfs/dbraw/zinc/00/66/63/899006663.db2.gz WIZIBBSSFCPXAH-LBPRGKRZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001381148119 899006678 /nfs/dbraw/zinc/00/66/78/899006678.db2.gz WIZIBBSSFCPXAH-LBPRGKRZSA-N 2 1 285.388 -0.720 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001381223724 899012447 /nfs/dbraw/zinc/01/24/47/899012447.db2.gz QZULRXURJTWHMW-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001381202186 899012731 /nfs/dbraw/zinc/01/27/31/899012731.db2.gz TVSPTSWBKHSZJY-GXSJLCMTSA-N 2 1 281.360 -0.450 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)[C@H]1CCNC1=O ZINC001381535956 899081078 /nfs/dbraw/zinc/08/10/78/899081078.db2.gz NOAGRJATTDETRF-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)[C@H]1CCNC1=O ZINC001381535956 899081097 /nfs/dbraw/zinc/08/10/97/899081097.db2.gz NOAGRJATTDETRF-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)[C@H]1CCNC1=O ZINC001381535956 899081114 /nfs/dbraw/zinc/08/11/14/899081114.db2.gz NOAGRJATTDETRF-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001381564680 899082060 /nfs/dbraw/zinc/08/20/60/899082060.db2.gz LRLJCCCNDDMQAD-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)NC1CC1 ZINC001381623573 899095885 /nfs/dbraw/zinc/09/58/85/899095885.db2.gz VLBAWBFBHSGGFB-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)NC1CC1 ZINC001381623573 899095900 /nfs/dbraw/zinc/09/59/00/899095900.db2.gz VLBAWBFBHSGGFB-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)NC1CC1 ZINC001381623573 899095920 /nfs/dbraw/zinc/09/59/20/899095920.db2.gz VLBAWBFBHSGGFB-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)NC1CC1 ZINC001381623573 899095937 /nfs/dbraw/zinc/09/59/37/899095937.db2.gz VLBAWBFBHSGGFB-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CCn1cncn1 ZINC001381624920 899097936 /nfs/dbraw/zinc/09/79/36/899097936.db2.gz YSXFVAKJBDJLJI-QWHCGFSZSA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CCn1cncn1 ZINC001381624920 899097943 /nfs/dbraw/zinc/09/79/43/899097943.db2.gz YSXFVAKJBDJLJI-QWHCGFSZSA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CCn1cncn1 ZINC001381624920 899097960 /nfs/dbraw/zinc/09/79/60/899097960.db2.gz YSXFVAKJBDJLJI-QWHCGFSZSA-N 2 1 294.403 -0.334 20 0 CBADMP 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 899130785 /nfs/dbraw/zinc/13/07/85/899130785.db2.gz YCSGYFRTSLOGRR-NRWUCQMLSA-N 2 1 296.415 -0.648 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001381916710 899131556 /nfs/dbraw/zinc/13/15/56/899131556.db2.gz AJDUOYYKMRTWQB-CNDDSTCGSA-N 2 1 282.388 -0.893 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001381916710 899131560 /nfs/dbraw/zinc/13/15/60/899131560.db2.gz AJDUOYYKMRTWQB-CNDDSTCGSA-N 2 1 282.388 -0.893 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001381916710 899131563 /nfs/dbraw/zinc/13/15/63/899131563.db2.gz AJDUOYYKMRTWQB-CNDDSTCGSA-N 2 1 282.388 -0.893 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001382121052 899159654 /nfs/dbraw/zinc/15/96/54/899159654.db2.gz MELPWHRHMMQFDO-WCQYABFASA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001382121052 899159668 /nfs/dbraw/zinc/15/96/68/899159668.db2.gz MELPWHRHMMQFDO-WCQYABFASA-N 2 1 294.403 -0.154 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001382163053 899166584 /nfs/dbraw/zinc/16/65/84/899166584.db2.gz VSIUZESNFQTXFV-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CO[C@@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001382408497 899283318 /nfs/dbraw/zinc/28/33/18/899283318.db2.gz ORYCNSHSHZWLBV-STQMWFEESA-N 2 1 298.387 -0.365 20 0 CBADMP CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)C[NH+]1CCCC1 ZINC001455392479 914355968 /nfs/dbraw/zinc/35/59/68/914355968.db2.gz RNMMUQGXMXTPCS-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)C[NH+]1CCCC1 ZINC001386888258 899726814 /nfs/dbraw/zinc/72/68/14/899726814.db2.gz HLTGMEWYCRZTPO-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001387034284 899748840 /nfs/dbraw/zinc/74/88/40/899748840.db2.gz ZCVBAVKZSOGOJW-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](C)CC(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001387034284 899748849 /nfs/dbraw/zinc/74/88/49/899748849.db2.gz ZCVBAVKZSOGOJW-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](C)CC(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001387034284 899748858 /nfs/dbraw/zinc/74/88/58/899748858.db2.gz ZCVBAVKZSOGOJW-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CCC[NH+](C)C ZINC001387750606 899823308 /nfs/dbraw/zinc/82/33/08/899823308.db2.gz HRGKHFDOVLDSAA-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001387816529 899834924 /nfs/dbraw/zinc/83/49/24/899834924.db2.gz YZSRJRNMCQEVEV-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001388649165 899894731 /nfs/dbraw/zinc/89/47/31/899894731.db2.gz JXUIZCZXWIIKBE-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001388649165 899894742 /nfs/dbraw/zinc/89/47/42/899894742.db2.gz JXUIZCZXWIIKBE-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001388649161 899896404 /nfs/dbraw/zinc/89/64/04/899896404.db2.gz JXUIZCZXWIIKBE-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001388649161 899896412 /nfs/dbraw/zinc/89/64/12/899896412.db2.gz JXUIZCZXWIIKBE-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001388709799 899903630 /nfs/dbraw/zinc/90/36/30/899903630.db2.gz YZXAVUYYRUGDCG-SYQHCUMBSA-N 2 1 299.415 -0.164 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001388709799 899903634 /nfs/dbraw/zinc/90/36/34/899903634.db2.gz YZXAVUYYRUGDCG-SYQHCUMBSA-N 2 1 299.415 -0.164 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001388719419 899905406 /nfs/dbraw/zinc/90/54/06/899905406.db2.gz HCEPDVSDOBZNAZ-XYPYZODXSA-N 2 1 282.388 -0.560 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001388804463 899912212 /nfs/dbraw/zinc/91/22/12/899912212.db2.gz LXQQMNGRCHFXOJ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001388804463 899912219 /nfs/dbraw/zinc/91/22/19/899912219.db2.gz LXQQMNGRCHFXOJ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001389198959 899968471 /nfs/dbraw/zinc/96/84/71/899968471.db2.gz ZXYLXGPDIZJFSL-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CN(C(=O)C1([NH+](C)C)CCC1)C1CC[NH+](CC(N)=O)CC1 ZINC001389330876 899993689 /nfs/dbraw/zinc/99/36/89/899993689.db2.gz DEEOTHIFWFDHKB-UHFFFAOYSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001389422841 900012101 /nfs/dbraw/zinc/01/21/01/900012101.db2.gz LRQNDCXUYOTZFS-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001389469857 900021045 /nfs/dbraw/zinc/02/10/45/900021045.db2.gz QLXBKKJEKKWABO-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001389492812 900030229 /nfs/dbraw/zinc/03/02/29/900030229.db2.gz AOTCYPIJJIOLNW-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001389492812 900030238 /nfs/dbraw/zinc/03/02/38/900030238.db2.gz AOTCYPIJJIOLNW-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001389492812 900030246 /nfs/dbraw/zinc/03/02/46/900030246.db2.gz AOTCYPIJJIOLNW-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001389492812 900030251 /nfs/dbraw/zinc/03/02/51/900030251.db2.gz AOTCYPIJJIOLNW-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001389806908 900076864 /nfs/dbraw/zinc/07/68/64/900076864.db2.gz ZOECJNRNVMDXOL-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001389910450 900090864 /nfs/dbraw/zinc/09/08/64/900090864.db2.gz GDYHBLKBBSRTGJ-YUSALJHKSA-N 2 1 293.371 -0.437 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001389905936 900090912 /nfs/dbraw/zinc/09/09/12/900090912.db2.gz LCORCVYAQLILSO-SRVKXCTJSA-N 2 1 282.388 -0.548 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]21 ZINC001389949764 900098418 /nfs/dbraw/zinc/09/84/18/900098418.db2.gz JALKOAZRMQKAPP-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001390015250 900103688 /nfs/dbraw/zinc/10/36/88/900103688.db2.gz RDFJHVCFKDOZIM-PHIMTYICSA-N 2 1 279.344 -0.826 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001390010706 900103715 /nfs/dbraw/zinc/10/37/15/900103715.db2.gz GWHMUWYFLILHIH-KKOKHZNYSA-N 2 1 282.388 -0.691 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001390014337 900104320 /nfs/dbraw/zinc/10/43/20/900104320.db2.gz OWHYLFABFHHBES-XQQFMLRXSA-N 2 1 296.371 -0.564 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001390070221 900111136 /nfs/dbraw/zinc/11/11/36/900111136.db2.gz UAAYDWYRAPUACY-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001390070221 900111139 /nfs/dbraw/zinc/11/11/39/900111139.db2.gz UAAYDWYRAPUACY-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001390322235 900139294 /nfs/dbraw/zinc/13/92/94/900139294.db2.gz WIDVPGQAZHOWEM-CMPLNLGQSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001390322235 900139297 /nfs/dbraw/zinc/13/92/97/900139297.db2.gz WIDVPGQAZHOWEM-CMPLNLGQSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)[NH2+]CCO ZINC001390473187 900171005 /nfs/dbraw/zinc/17/10/05/900171005.db2.gz CSQJCXLQTFWZLY-NSHDSACASA-N 2 1 296.371 -0.029 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001390487719 900173275 /nfs/dbraw/zinc/17/32/75/900173275.db2.gz XYQVZBFCKFMWHY-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001390487719 900173281 /nfs/dbraw/zinc/17/32/81/900173281.db2.gz XYQVZBFCKFMWHY-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](C)[NH2+]CCO)C2 ZINC001390482890 900174008 /nfs/dbraw/zinc/17/40/08/900174008.db2.gz OIWUEDPYIXHUPP-JQWIXIFHSA-N 2 1 280.372 -0.159 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1nncn1C)[NH+](C)C ZINC001390507331 900176034 /nfs/dbraw/zinc/17/60/34/900176034.db2.gz JLPWAAPVBMIIHX-YPMHNXCESA-N 2 1 296.419 -0.004 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1nncn1C)[NH+](C)C ZINC001390507326 900176453 /nfs/dbraw/zinc/17/64/53/900176453.db2.gz JLPWAAPVBMIIHX-AAEUAGOBSA-N 2 1 296.419 -0.004 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001390517537 900179371 /nfs/dbraw/zinc/17/93/71/900179371.db2.gz YXLBWFRQAZVAOK-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCn1ncc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001390516882 900180854 /nfs/dbraw/zinc/18/08/54/900180854.db2.gz DZIASMGQZZITAW-NWDGAFQWSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001390516882 900180858 /nfs/dbraw/zinc/18/08/58/900180858.db2.gz DZIASMGQZZITAW-NWDGAFQWSA-N 2 1 294.403 -0.156 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001390523507 900184504 /nfs/dbraw/zinc/18/45/04/900184504.db2.gz UJWRUQYTUVMWAL-ONGXEEELSA-N 2 1 279.344 -0.826 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001390535299 900184759 /nfs/dbraw/zinc/18/47/59/900184759.db2.gz DGKKPPNMPQYYPX-RYUDHWBXSA-N 2 1 286.420 -0.102 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001390647558 900202574 /nfs/dbraw/zinc/20/25/74/900202574.db2.gz QDIKXOFROYSHCV-WCQYABFASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001390646971 900203512 /nfs/dbraw/zinc/20/35/12/900203512.db2.gz OBYGMKVZFCELHH-OLZOCXBDSA-N 2 1 294.403 -0.143 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001390720740 900214267 /nfs/dbraw/zinc/21/42/67/900214267.db2.gz ZPJWFDYNXIFRKU-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001390813343 900255230 /nfs/dbraw/zinc/25/52/30/900255230.db2.gz SHKRZPNGSACVNQ-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001390813343 900255240 /nfs/dbraw/zinc/25/52/40/900255240.db2.gz SHKRZPNGSACVNQ-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP C[NH+](C)CC1(C(=O)NCC[N@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC001390815038 900257035 /nfs/dbraw/zinc/25/70/35/900257035.db2.gz YTIAYARRMNYXAR-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC001390815038 900257043 /nfs/dbraw/zinc/25/70/43/900257043.db2.gz YTIAYARRMNYXAR-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001390844479 900266623 /nfs/dbraw/zinc/26/66/23/900266623.db2.gz KTYDYIUEYJRHLG-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001390844479 900266638 /nfs/dbraw/zinc/26/66/38/900266638.db2.gz KTYDYIUEYJRHLG-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCNC1=O ZINC001390844479 900266655 /nfs/dbraw/zinc/26/66/55/900266655.db2.gz KTYDYIUEYJRHLG-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC001390844479 900266667 /nfs/dbraw/zinc/26/66/67/900266667.db2.gz KTYDYIUEYJRHLG-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@@H+](CCNC(=O)CCC[NH+](C)C)[C@H]1CCNC1=O ZINC001390952965 900287013 /nfs/dbraw/zinc/28/70/13/900287013.db2.gz GUZZEMBBMDPWGI-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](CC)CC(=O)N1CCC1)[NH+](C)C ZINC001391010941 900291864 /nfs/dbraw/zinc/29/18/64/900291864.db2.gz RSSJNDKRGFRJBK-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](CC)CC(=O)N1CCC1)[NH+](C)C ZINC001391010941 900291869 /nfs/dbraw/zinc/29/18/69/900291869.db2.gz RSSJNDKRGFRJBK-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001391100707 900307618 /nfs/dbraw/zinc/30/76/18/900307618.db2.gz VVCVQHUTAFMJNO-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001391101769 900307745 /nfs/dbraw/zinc/30/77/45/900307745.db2.gz OUKFVVJHNHDNLO-VXGBXAGGSA-N 2 1 293.371 -0.497 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001391101769 900307760 /nfs/dbraw/zinc/30/77/60/900307760.db2.gz OUKFVVJHNHDNLO-VXGBXAGGSA-N 2 1 293.371 -0.497 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001391112599 900315223 /nfs/dbraw/zinc/31/52/23/900315223.db2.gz CLOWTMCFHSYYNA-LBPRGKRZSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001391112599 900315234 /nfs/dbraw/zinc/31/52/34/900315234.db2.gz CLOWTMCFHSYYNA-LBPRGKRZSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001391112599 900315246 /nfs/dbraw/zinc/31/52/46/900315246.db2.gz CLOWTMCFHSYYNA-LBPRGKRZSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+]([C@@H](C)C(N)=O)C1CC1)[NH+](C)C ZINC001391201857 900333540 /nfs/dbraw/zinc/33/35/40/900333540.db2.gz UHUMNCJJOVEOOE-JQWIXIFHSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@@H]([NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001391226464 900342084 /nfs/dbraw/zinc/34/20/84/900342084.db2.gz IOTRFVHKRQKVKA-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001391222916 900343734 /nfs/dbraw/zinc/34/37/34/900343734.db2.gz VGEQDDLSFYOORY-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001391334838 900354688 /nfs/dbraw/zinc/35/46/88/900354688.db2.gz LZSJFYFHVFJFAZ-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001391334838 900354700 /nfs/dbraw/zinc/35/47/00/900354700.db2.gz LZSJFYFHVFJFAZ-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001391334838 900354715 /nfs/dbraw/zinc/35/47/15/900354715.db2.gz LZSJFYFHVFJFAZ-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[N@H+](CCO)C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001391355327 900362613 /nfs/dbraw/zinc/36/26/13/900362613.db2.gz PCUAWETUGZVILI-AWEZNQCLSA-N 2 1 299.415 -0.519 20 0 CBADMP C[N@@H+](CCO)C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001391355327 900362624 /nfs/dbraw/zinc/36/26/24/900362624.db2.gz PCUAWETUGZVILI-AWEZNQCLSA-N 2 1 299.415 -0.519 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH+](C)CCO)C2)C1 ZINC001391360820 900362928 /nfs/dbraw/zinc/36/29/28/900362928.db2.gz UUDHGIYMXOSDKT-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH+](C)CCO)C2)C1 ZINC001391360820 900362942 /nfs/dbraw/zinc/36/29/42/900362942.db2.gz UUDHGIYMXOSDKT-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H](C[N@H+](C)CCO)C2)C1 ZINC001391360820 900362956 /nfs/dbraw/zinc/36/29/56/900362956.db2.gz UUDHGIYMXOSDKT-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H](C[N@@H+](C)CCO)C2)C1 ZINC001391360820 900362965 /nfs/dbraw/zinc/36/29/65/900362965.db2.gz UUDHGIYMXOSDKT-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@@H]2CCNC2=O)C1 ZINC001391402343 900364183 /nfs/dbraw/zinc/36/41/83/900364183.db2.gz JMTITNUSBNFYPO-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@@H]2CCNC2=O)C1 ZINC001391402343 900364194 /nfs/dbraw/zinc/36/41/94/900364194.db2.gz JMTITNUSBNFYPO-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001391402343 900364203 /nfs/dbraw/zinc/36/42/03/900364203.db2.gz JMTITNUSBNFYPO-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001391402343 900364218 /nfs/dbraw/zinc/36/42/18/900364218.db2.gz JMTITNUSBNFYPO-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@H]2CCNC2=O)C1 ZINC001391402347 900365471 /nfs/dbraw/zinc/36/54/71/900365471.db2.gz JMTITNUSBNFYPO-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@H]2CCNC2=O)C1 ZINC001391402347 900365475 /nfs/dbraw/zinc/36/54/75/900365475.db2.gz JMTITNUSBNFYPO-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001391402347 900365486 /nfs/dbraw/zinc/36/54/86/900365486.db2.gz JMTITNUSBNFYPO-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001391402347 900365501 /nfs/dbraw/zinc/36/55/01/900365501.db2.gz JMTITNUSBNFYPO-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](C(=O)NCC1C[NH+]([C@@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001391503852 900397301 /nfs/dbraw/zinc/39/73/01/900397301.db2.gz GGFGMWIJQMVNFT-AAEUAGOBSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001391562529 900407858 /nfs/dbraw/zinc/40/78/58/900407858.db2.gz XSGSZNMRFHLEJP-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001391562529 900407862 /nfs/dbraw/zinc/40/78/62/900407862.db2.gz XSGSZNMRFHLEJP-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001391622732 900423128 /nfs/dbraw/zinc/42/31/28/900423128.db2.gz NUDLYJCWJRXJRV-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391649233 900426289 /nfs/dbraw/zinc/42/62/89/900426289.db2.gz MCKXDLWVEZDMJT-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001391649233 900426274 /nfs/dbraw/zinc/42/62/74/900426274.db2.gz MCKXDLWVEZDMJT-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391649233 900426278 /nfs/dbraw/zinc/42/62/78/900426278.db2.gz MCKXDLWVEZDMJT-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391649233 900426282 /nfs/dbraw/zinc/42/62/82/900426282.db2.gz MCKXDLWVEZDMJT-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001391668301 900428172 /nfs/dbraw/zinc/42/81/72/900428172.db2.gz VRAPPFXXMVCZLS-YPMHNXCESA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cn(C)nn1 ZINC001391722846 900439078 /nfs/dbraw/zinc/43/90/78/900439078.db2.gz NLLIZSSLAJJXJE-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001391922233 900463346 /nfs/dbraw/zinc/46/33/46/900463346.db2.gz SFTSOUMJDLKNPP-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001391958894 900474023 /nfs/dbraw/zinc/47/40/23/900474023.db2.gz FLQVAPUVNQOANE-NSHDSACASA-N 2 1 297.407 -0.608 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001392048213 900499146 /nfs/dbraw/zinc/49/91/46/900499146.db2.gz GTMXULFWWXNSDJ-MNOVXSKESA-N 2 1 295.391 -0.759 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001392048213 900499149 /nfs/dbraw/zinc/49/91/49/900499149.db2.gz GTMXULFWWXNSDJ-MNOVXSKESA-N 2 1 295.391 -0.759 20 0 CBADMP C[C@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392133218 900519136 /nfs/dbraw/zinc/51/91/36/900519136.db2.gz MAYAOCYNNVIQFK-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001392136809 900520586 /nfs/dbraw/zinc/52/05/86/900520586.db2.gz WDNBCKCKLAYPAU-MNOVXSKESA-N 2 1 295.387 -0.237 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C[NH2+]CC(N)=O)CC(C)C ZINC001392155400 900524592 /nfs/dbraw/zinc/52/45/92/900524592.db2.gz CIWSTEFXLRRDTI-LBPRGKRZSA-N 2 1 295.387 -0.203 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392174669 900526754 /nfs/dbraw/zinc/52/67/54/900526754.db2.gz XYTBWPUSEIVCGV-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001392183594 900530853 /nfs/dbraw/zinc/53/08/53/900530853.db2.gz RGESINHTOSPUCC-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CCN(C)[C@@H]2CCNC2=O)CC[N@H+]1C ZINC001392277347 900551431 /nfs/dbraw/zinc/55/14/31/900551431.db2.gz CEDBBWKTAYAYHE-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)[C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001392277347 900551440 /nfs/dbraw/zinc/55/14/40/900551440.db2.gz CEDBBWKTAYAYHE-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)[C@@H]2CCNC2=O)CC[N@H+]1C ZINC001392277347 900551448 /nfs/dbraw/zinc/55/14/48/900551448.db2.gz CEDBBWKTAYAYHE-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)[C@@H]2CCNC2=O)CC[NH+]1C ZINC001392277347 900551459 /nfs/dbraw/zinc/55/14/59/900551459.db2.gz CEDBBWKTAYAYHE-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H]2CCNC2=O)CC[NH+]1C ZINC001392277347 900551472 /nfs/dbraw/zinc/55/14/72/900551472.db2.gz CEDBBWKTAYAYHE-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001392348345 900573419 /nfs/dbraw/zinc/57/34/19/900573419.db2.gz YBCNSXRVXHTVRX-WCQYABFASA-N 2 1 296.415 -0.170 20 0 CBADMP Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001392388983 900597943 /nfs/dbraw/zinc/59/79/43/900597943.db2.gz HWWZNBGSIVKETN-NWDGAFQWSA-N 2 1 296.371 -0.356 20 0 CBADMP CC[NH2+]C[C@H](O)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001392409827 900608062 /nfs/dbraw/zinc/60/80/62/900608062.db2.gz LYOYDWPWYUWCQS-ZDUSSCGKSA-N 2 1 289.339 -0.033 20 0 CBADMP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001392464556 900625634 /nfs/dbraw/zinc/62/56/34/900625634.db2.gz GJLQCXFVSVPFHV-PWSUYJOCSA-N 2 1 280.376 -0.496 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001392480553 900634739 /nfs/dbraw/zinc/63/47/39/900634739.db2.gz OSXWTMFSQHWNDS-NEPJUHHUSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)CC[NH+](C)C ZINC001392503994 900638156 /nfs/dbraw/zinc/63/81/56/900638156.db2.gz FZGOOAQYMSIMIB-NXEZZACHSA-N 2 1 283.380 -0.683 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001392499129 900638768 /nfs/dbraw/zinc/63/87/68/900638768.db2.gz XULXHWLAOYDDBK-ZYHUDNBSSA-N 2 1 295.387 -0.237 20 0 CBADMP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001392506217 900641104 /nfs/dbraw/zinc/64/11/04/900641104.db2.gz RZMLGRRXCOJKNG-VWYCJHECSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001392507783 900642011 /nfs/dbraw/zinc/64/20/11/900642011.db2.gz ZXPSPXRNLLYGGT-AGIUHOORSA-N 2 1 298.431 -0.101 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001392579491 900667848 /nfs/dbraw/zinc/66/78/48/900667848.db2.gz FOCODCNXQAPDBH-CMPLNLGQSA-N 2 1 293.371 -0.483 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001392598974 900674090 /nfs/dbraw/zinc/67/40/90/900674090.db2.gz UPWXGCZKJQHYND-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001392610188 900679131 /nfs/dbraw/zinc/67/91/31/900679131.db2.gz JJGMZPZAEUJPOY-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001392694164 900705471 /nfs/dbraw/zinc/70/54/71/900705471.db2.gz WOAHBMXJCUGASB-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001392694164 900705473 /nfs/dbraw/zinc/70/54/73/900705473.db2.gz WOAHBMXJCUGASB-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001392694164 900705478 /nfs/dbraw/zinc/70/54/78/900705478.db2.gz WOAHBMXJCUGASB-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001392694164 900705484 /nfs/dbraw/zinc/70/54/84/900705484.db2.gz WOAHBMXJCUGASB-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001392791119 900727598 /nfs/dbraw/zinc/72/75/98/900727598.db2.gz DKNBVYBPNCMZID-AAEUAGOBSA-N 2 1 296.415 -0.441 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392806519 900728745 /nfs/dbraw/zinc/72/87/45/900728745.db2.gz XUFNZLIHKSTZEK-DGCLKSJQSA-N 2 1 296.415 -0.441 20 0 CBADMP C[NH+](C)CCC(=O)NC1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001456403022 914471944 /nfs/dbraw/zinc/47/19/44/914471944.db2.gz LRQNDCXUYOTZFS-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C[C@H](O)COC)[NH+](C)C ZINC001392854192 900742698 /nfs/dbraw/zinc/74/26/98/900742698.db2.gz UQBVQNLQAMWNKU-AVGNSLFASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C[C@H](O)COC)[NH+](C)C ZINC001392854192 900742706 /nfs/dbraw/zinc/74/27/06/900742706.db2.gz UQBVQNLQAMWNKU-AVGNSLFASA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001392992178 900772603 /nfs/dbraw/zinc/77/26/03/900772603.db2.gz OYTAIRCPCDEFJV-SWLSCSKDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(N)=O ZINC001393053233 900786956 /nfs/dbraw/zinc/78/69/56/900786956.db2.gz LNECXPOSRHJAEF-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001393084496 900790176 /nfs/dbraw/zinc/79/01/76/900790176.db2.gz ZDXAOSHTCGCEQX-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001393084496 900790187 /nfs/dbraw/zinc/79/01/87/900790187.db2.gz ZDXAOSHTCGCEQX-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393084496 900790194 /nfs/dbraw/zinc/79/01/94/900790194.db2.gz ZDXAOSHTCGCEQX-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001393105066 900792656 /nfs/dbraw/zinc/79/26/56/900792656.db2.gz FUWWCVZEOVHIKE-GXTWGEPZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001393213413 900802816 /nfs/dbraw/zinc/80/28/16/900802816.db2.gz PWDBKVLKTFTPHT-LBPRGKRZSA-N 2 1 285.388 -0.408 20 0 CBADMP CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001393213413 900802821 /nfs/dbraw/zinc/80/28/21/900802821.db2.gz PWDBKVLKTFTPHT-LBPRGKRZSA-N 2 1 285.388 -0.408 20 0 CBADMP CC1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)CC1 ZINC001393268024 900821783 /nfs/dbraw/zinc/82/17/83/900821783.db2.gz IPPJPMIVNMDCOU-HNNXBMFYSA-N 2 1 299.415 -0.736 20 0 CBADMP O=C(NCC1(O)C[NH+](CC2CC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001393313560 900837498 /nfs/dbraw/zinc/83/74/98/900837498.db2.gz DIPKNTOQMQSKNO-CQSZACIVSA-N 2 1 293.411 -0.099 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001393393560 900851853 /nfs/dbraw/zinc/85/18/53/900851853.db2.gz HJHZWNVPWSAUQN-OLZOCXBDSA-N 2 1 298.431 -0.243 20 0 CBADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001393535158 900871937 /nfs/dbraw/zinc/87/19/37/900871937.db2.gz WAGTYEXWVRMNEH-QWHCGFSZSA-N 2 1 299.415 -0.284 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001393845632 900916916 /nfs/dbraw/zinc/91/69/16/900916916.db2.gz XOWVOTDPDVWHFM-UHFFFAOYSA-N 2 1 296.371 -0.873 20 0 CBADMP CN(CC(N)=O)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001393881350 900920652 /nfs/dbraw/zinc/92/06/52/900920652.db2.gz GEDXBKXQZRBMFL-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001393881350 900920662 /nfs/dbraw/zinc/92/06/62/900920662.db2.gz GEDXBKXQZRBMFL-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001393881350 900920673 /nfs/dbraw/zinc/92/06/73/900920673.db2.gz GEDXBKXQZRBMFL-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001393881350 900920682 /nfs/dbraw/zinc/92/06/82/900920682.db2.gz GEDXBKXQZRBMFL-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001393881350 900920690 /nfs/dbraw/zinc/92/06/90/900920690.db2.gz GEDXBKXQZRBMFL-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)CC(N)=O ZINC001394098541 900970852 /nfs/dbraw/zinc/97/08/52/900970852.db2.gz AQPVXKRZNNRHCW-JTQLQIEISA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@@H+](C)CC(N)=O ZINC001394098541 900970865 /nfs/dbraw/zinc/97/08/65/900970865.db2.gz AQPVXKRZNNRHCW-JTQLQIEISA-N 2 1 270.377 -0.750 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394453557 901027162 /nfs/dbraw/zinc/02/71/62/901027162.db2.gz QIDBTXQDOOSQIQ-VXGBXAGGSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(N)=O ZINC001394496368 901039773 /nfs/dbraw/zinc/03/97/73/901039773.db2.gz PUOHKWQXXNKYJS-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[NH2+][C@H](CO)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001394603340 901083974 /nfs/dbraw/zinc/08/39/74/901083974.db2.gz KCSIBNMZVYTNMQ-JTQLQIEISA-N 2 1 284.360 -0.175 20 0 CBADMP Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001394656012 901108135 /nfs/dbraw/zinc/10/81/35/901108135.db2.gz XNITXMKZDLZQCO-CYBMUJFWSA-N 2 1 296.371 -0.354 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccccn2)C1 ZINC001394654348 901110329 /nfs/dbraw/zinc/11/03/29/901110329.db2.gz FKIUMNQUXVWDOM-TZMCWYRMSA-N 2 1 292.383 -0.400 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccccn2)C1 ZINC001394654348 901110333 /nfs/dbraw/zinc/11/03/33/901110333.db2.gz FKIUMNQUXVWDOM-TZMCWYRMSA-N 2 1 292.383 -0.400 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC)C[C@@H]1C ZINC001394667391 901115515 /nfs/dbraw/zinc/11/55/15/901115515.db2.gz IWTSBNLKEDZAPF-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC)C[C@@H]1C ZINC001394667388 901116422 /nfs/dbraw/zinc/11/64/22/901116422.db2.gz IWTSBNLKEDZAPF-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCC[N@@H+]1CCO ZINC001394701443 901122282 /nfs/dbraw/zinc/12/22/82/901122282.db2.gz CFYXRHJRAWXESO-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCC[N@H+]1CCO ZINC001394701443 901122288 /nfs/dbraw/zinc/12/22/88/901122288.db2.gz CFYXRHJRAWXESO-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001394731838 901132771 /nfs/dbraw/zinc/13/27/71/901132771.db2.gz BSBQPBJKOCTFOT-NWDGAFQWSA-N 2 1 273.377 -0.866 20 0 CBADMP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001394731838 901132783 /nfs/dbraw/zinc/13/27/83/901132783.db2.gz BSBQPBJKOCTFOT-NWDGAFQWSA-N 2 1 273.377 -0.866 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001394792070 901158223 /nfs/dbraw/zinc/15/82/23/901158223.db2.gz MQEWQOWUTGHZFA-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP COCC[N@@H+](CCO)CCNC(=O)C1CC[NH+](C)CC1 ZINC001394836276 901162514 /nfs/dbraw/zinc/16/25/14/901162514.db2.gz HEYUKUJJEISJRN-UHFFFAOYSA-N 2 1 287.404 -0.615 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001395172938 901185110 /nfs/dbraw/zinc/18/51/10/901185110.db2.gz SWGMRDHQCIVXCE-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001397611209 901438885 /nfs/dbraw/zinc/43/88/85/901438885.db2.gz HGDHAVFDEIGIOA-MPZDIEGVSA-N 2 1 296.415 -0.171 20 0 CBADMP CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)CC[NH+](C)C ZINC001397981531 901485106 /nfs/dbraw/zinc/48/51/06/901485106.db2.gz IMYPZYFDNLAHOS-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CCNC(=O)CC[NH+](C)C ZINC001398030889 901494727 /nfs/dbraw/zinc/49/47/27/901494727.db2.gz VHDWMJUZBDECJS-UHFFFAOYSA-N 2 1 295.387 -0.282 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001398243662 901512462 /nfs/dbraw/zinc/51/24/62/901512462.db2.gz XPCKJOWUYHKLHO-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001398243662 901512473 /nfs/dbraw/zinc/51/24/73/901512473.db2.gz XPCKJOWUYHKLHO-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001398301569 901521770 /nfs/dbraw/zinc/52/17/70/901521770.db2.gz RRAYCLZCYWLMBO-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001398301569 901521775 /nfs/dbraw/zinc/52/17/75/901521775.db2.gz RRAYCLZCYWLMBO-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001398301569 901521784 /nfs/dbraw/zinc/52/17/84/901521784.db2.gz RRAYCLZCYWLMBO-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001398301569 901521790 /nfs/dbraw/zinc/52/17/90/901521790.db2.gz RRAYCLZCYWLMBO-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001398341042 901526245 /nfs/dbraw/zinc/52/62/45/901526245.db2.gz USLXXLYBUIUARJ-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001398341042 901526253 /nfs/dbraw/zinc/52/62/53/901526253.db2.gz USLXXLYBUIUARJ-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001398450031 901542181 /nfs/dbraw/zinc/54/21/81/901542181.db2.gz KRJMXJYAUDKUGS-OLZOCXBDSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001398535155 901549540 /nfs/dbraw/zinc/54/95/40/901549540.db2.gz XXZLJPJVGMRWFY-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001398553941 901558156 /nfs/dbraw/zinc/55/81/56/901558156.db2.gz LIFGBAARVDOOHS-SRVKXCTJSA-N 2 1 282.388 -0.689 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001398559947 901562668 /nfs/dbraw/zinc/56/26/68/901562668.db2.gz BVFFOGYXVOEMIJ-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001398610205 901573617 /nfs/dbraw/zinc/57/36/17/901573617.db2.gz IHLNAXFVGJWFLX-RNJOBUHISA-N 2 1 285.388 -0.675 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001398765048 901602663 /nfs/dbraw/zinc/60/26/63/901602663.db2.gz QZXXWGSQVCJJIQ-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001399110335 901664662 /nfs/dbraw/zinc/66/46/62/901664662.db2.gz REENIFHFROENLF-YPMHNXCESA-N 2 1 296.419 -0.004 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001399117236 901669657 /nfs/dbraw/zinc/66/96/57/901669657.db2.gz VOCFIXZLOGVLMW-SNVBAGLBSA-N 2 1 283.380 -0.854 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001399117236 901669666 /nfs/dbraw/zinc/66/96/66/901669666.db2.gz VOCFIXZLOGVLMW-SNVBAGLBSA-N 2 1 283.380 -0.854 20 0 CBADMP Cc1nonc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399127095 901672946 /nfs/dbraw/zinc/67/29/46/901672946.db2.gz WAWGRMGWGZRTLL-MWLCHTKSSA-N 2 1 281.360 -0.076 20 0 CBADMP Cc1nonc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399127095 901672956 /nfs/dbraw/zinc/67/29/56/901672956.db2.gz WAWGRMGWGZRTLL-MWLCHTKSSA-N 2 1 281.360 -0.076 20 0 CBADMP C[N@H+](CCCO)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001399296582 901691586 /nfs/dbraw/zinc/69/15/86/901691586.db2.gz LFJIMOZLFVKNLF-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@@H+](CCCO)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001399296582 901691592 /nfs/dbraw/zinc/69/15/92/901691592.db2.gz LFJIMOZLFVKNLF-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCCO)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001399296582 901691599 /nfs/dbraw/zinc/69/15/99/901691599.db2.gz LFJIMOZLFVKNLF-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCCO)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001399296582 901691609 /nfs/dbraw/zinc/69/16/09/901691609.db2.gz LFJIMOZLFVKNLF-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001399286767 901691844 /nfs/dbraw/zinc/69/18/44/901691844.db2.gz ISAOCJXEDDMIHL-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001399324052 901700581 /nfs/dbraw/zinc/70/05/81/901700581.db2.gz QNJXJYZVANPRSH-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCCNC1=O ZINC001399435623 901717231 /nfs/dbraw/zinc/71/72/31/901717231.db2.gz JIIWJAKDHFSHJP-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCCNC1=O ZINC001399435623 901717241 /nfs/dbraw/zinc/71/72/41/901717241.db2.gz JIIWJAKDHFSHJP-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCCNC1=O ZINC001399435623 901717249 /nfs/dbraw/zinc/71/72/49/901717249.db2.gz JIIWJAKDHFSHJP-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCCNC1=O ZINC001399435623 901717259 /nfs/dbraw/zinc/71/72/59/901717259.db2.gz JIIWJAKDHFSHJP-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)C1 ZINC001457420113 914560061 /nfs/dbraw/zinc/56/00/61/914560061.db2.gz ZRTKVQVJZPGFSY-MJBXVCDLSA-N 2 1 280.416 -0.073 20 0 CBADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C1 ZINC001457420113 914560069 /nfs/dbraw/zinc/56/00/69/914560069.db2.gz ZRTKVQVJZPGFSY-MJBXVCDLSA-N 2 1 280.416 -0.073 20 0 CBADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001457420113 914560079 /nfs/dbraw/zinc/56/00/79/914560079.db2.gz ZRTKVQVJZPGFSY-MJBXVCDLSA-N 2 1 280.416 -0.073 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC001399817834 901810040 /nfs/dbraw/zinc/81/00/40/901810040.db2.gz AJICEPAABAJSOQ-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001399921918 901837023 /nfs/dbraw/zinc/83/70/23/901837023.db2.gz CNIQRFXZADKOSB-ZDUSSCGKSA-N 2 1 294.403 -0.332 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1nncn1C ZINC001400043602 901861493 /nfs/dbraw/zinc/86/14/93/901861493.db2.gz SEFLVRRRUNOTAT-NSHDSACASA-N 2 1 282.392 -0.124 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001400043105 901862382 /nfs/dbraw/zinc/86/23/82/901862382.db2.gz YJEKXXCBUREDJS-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001400043105 901862394 /nfs/dbraw/zinc/86/23/94/901862394.db2.gz YJEKXXCBUREDJS-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001400043105 901862405 /nfs/dbraw/zinc/86/24/05/901862405.db2.gz YJEKXXCBUREDJS-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001400043105 901862413 /nfs/dbraw/zinc/86/24/13/901862413.db2.gz YJEKXXCBUREDJS-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001400054872 901865666 /nfs/dbraw/zinc/86/56/66/901865666.db2.gz MQBNKGNCQHGIHH-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001400084584 901875425 /nfs/dbraw/zinc/87/54/25/901875425.db2.gz VDTOGNMSWHOKSG-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001400160238 901889104 /nfs/dbraw/zinc/88/91/04/901889104.db2.gz WUTRKWOZCFVPBM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001400160238 901889107 /nfs/dbraw/zinc/88/91/07/901889107.db2.gz WUTRKWOZCFVPBM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CN1CCC[C@@H]([NH+]2CC(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001400528405 901959577 /nfs/dbraw/zinc/95/95/77/901959577.db2.gz RAOPXPDOLPPMQG-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001400624510 901979576 /nfs/dbraw/zinc/97/95/76/901979576.db2.gz LFSHYOYTASJLQY-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001400624510 901979558 /nfs/dbraw/zinc/97/95/58/901979558.db2.gz LFSHYOYTASJLQY-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001400624510 901979568 /nfs/dbraw/zinc/97/95/68/901979568.db2.gz LFSHYOYTASJLQY-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001400624510 901979583 /nfs/dbraw/zinc/97/95/83/901979583.db2.gz LFSHYOYTASJLQY-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001400627113 901983677 /nfs/dbraw/zinc/98/36/77/901983677.db2.gz WMXWDCQCMIVEHF-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001400627113 901983686 /nfs/dbraw/zinc/98/36/86/901983686.db2.gz WMXWDCQCMIVEHF-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001400627113 901983691 /nfs/dbraw/zinc/98/36/91/901983691.db2.gz WMXWDCQCMIVEHF-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001400627113 901983696 /nfs/dbraw/zinc/98/36/96/901983696.db2.gz WMXWDCQCMIVEHF-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001400659948 901991339 /nfs/dbraw/zinc/99/13/39/901991339.db2.gz VNDMTRYKEDKMFA-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001400659948 901991346 /nfs/dbraw/zinc/99/13/46/901991346.db2.gz VNDMTRYKEDKMFA-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001400659948 901991354 /nfs/dbraw/zinc/99/13/54/901991354.db2.gz VNDMTRYKEDKMFA-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001400659948 901991369 /nfs/dbraw/zinc/99/13/69/901991369.db2.gz VNDMTRYKEDKMFA-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001401106552 902056220 /nfs/dbraw/zinc/05/62/20/902056220.db2.gz JFVRBZPIZSQXBS-NWDGAFQWSA-N 2 1 284.404 -0.314 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001401117836 902058131 /nfs/dbraw/zinc/05/81/31/902058131.db2.gz WZTWQVLBPFSMLN-RYUDHWBXSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001401117827 902058220 /nfs/dbraw/zinc/05/82/20/902058220.db2.gz WZTWQVLBPFSMLN-NEPJUHHUSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001401141351 902064437 /nfs/dbraw/zinc/06/44/37/902064437.db2.gz WXXWGYMESDAMNI-NEPJUHHUSA-N 2 1 284.404 -0.584 20 0 CBADMP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001401226074 902086192 /nfs/dbraw/zinc/08/61/92/902086192.db2.gz RWRCYWYRLMIKHA-JQWIXIFHSA-N 2 1 295.387 -0.108 20 0 CBADMP C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001401221343 902088333 /nfs/dbraw/zinc/08/83/33/902088333.db2.gz OVXPNKKHUFRPLM-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001401220578 902088520 /nfs/dbraw/zinc/08/85/20/902088520.db2.gz NBCCSNTWXRQFQW-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401260797 902095209 /nfs/dbraw/zinc/09/52/09/902095209.db2.gz OUJYSCAMRNEULI-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401260797 902095221 /nfs/dbraw/zinc/09/52/21/902095221.db2.gz OUJYSCAMRNEULI-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001401258180 902096804 /nfs/dbraw/zinc/09/68/04/902096804.db2.gz KZLBDJBXOLJZBF-CMPLNLGQSA-N 2 1 295.387 -0.108 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cscn1 ZINC001401513476 902153659 /nfs/dbraw/zinc/15/36/59/902153659.db2.gz YNJCOWHNJSZQTK-RYUDHWBXSA-N 2 1 298.412 -0.196 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cscn1 ZINC001401513476 902153669 /nfs/dbraw/zinc/15/36/69/902153669.db2.gz YNJCOWHNJSZQTK-RYUDHWBXSA-N 2 1 298.412 -0.196 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccn1 ZINC001401556550 902165072 /nfs/dbraw/zinc/16/50/72/902165072.db2.gz MNVOYFTWEWSUMK-UONOGXRCSA-N 2 1 292.383 -0.258 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001401589205 902179753 /nfs/dbraw/zinc/17/97/53/902179753.db2.gz PRTDIUQNYVSPEU-CYBMUJFWSA-N 2 1 297.403 -0.673 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001401611946 902189986 /nfs/dbraw/zinc/18/99/86/902189986.db2.gz UKVIBKHASWMSKE-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC ZINC001401626012 902199437 /nfs/dbraw/zinc/19/94/37/902199437.db2.gz DTHDQNMGRBZSII-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001401658765 902213637 /nfs/dbraw/zinc/21/36/37/902213637.db2.gz GETLPKIUDLAUIO-ZYHUDNBSSA-N 2 1 297.407 -0.609 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001401669481 902216389 /nfs/dbraw/zinc/21/63/89/902216389.db2.gz KOZFSXVRGFSWQB-RISCZKNCSA-N 2 1 292.383 -0.131 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001401761044 902260316 /nfs/dbraw/zinc/26/03/16/902260316.db2.gz XZPULDNUUCHVJQ-QJPTWQEYSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001401761044 902260333 /nfs/dbraw/zinc/26/03/33/902260333.db2.gz XZPULDNUUCHVJQ-QJPTWQEYSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001401761044 902260344 /nfs/dbraw/zinc/26/03/44/902260344.db2.gz XZPULDNUUCHVJQ-QJPTWQEYSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001401761044 902260354 /nfs/dbraw/zinc/26/03/54/902260354.db2.gz XZPULDNUUCHVJQ-QJPTWQEYSA-N 2 1 284.404 -0.491 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401777362 902264663 /nfs/dbraw/zinc/26/46/63/902264663.db2.gz TURYHVQYUPETCR-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401777362 902264675 /nfs/dbraw/zinc/26/46/75/902264675.db2.gz TURYHVQYUPETCR-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001401775590 902265316 /nfs/dbraw/zinc/26/53/16/902265316.db2.gz DBQHMZIBUGDNLG-ZYHUDNBSSA-N 2 1 272.393 -0.506 20 0 CBADMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001401775590 902265326 /nfs/dbraw/zinc/26/53/26/902265326.db2.gz DBQHMZIBUGDNLG-ZYHUDNBSSA-N 2 1 272.393 -0.506 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001401773341 902268909 /nfs/dbraw/zinc/26/89/09/902268909.db2.gz COGCRDBKFQVFOE-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001401773341 902268922 /nfs/dbraw/zinc/26/89/22/902268922.db2.gz COGCRDBKFQVFOE-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401773341 902268931 /nfs/dbraw/zinc/26/89/31/902268931.db2.gz COGCRDBKFQVFOE-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401773341 902268937 /nfs/dbraw/zinc/26/89/37/902268937.db2.gz COGCRDBKFQVFOE-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001401786202 902271273 /nfs/dbraw/zinc/27/12/73/902271273.db2.gz OCMXCGYLDFNILL-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001401786202 902271284 /nfs/dbraw/zinc/27/12/84/902271284.db2.gz OCMXCGYLDFNILL-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001401793102 902278603 /nfs/dbraw/zinc/27/86/03/902278603.db2.gz BDFJSURNRBLESD-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001401793102 902278617 /nfs/dbraw/zinc/27/86/17/902278617.db2.gz BDFJSURNRBLESD-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401793102 902278632 /nfs/dbraw/zinc/27/86/32/902278632.db2.gz BDFJSURNRBLESD-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001401793102 902278645 /nfs/dbraw/zinc/27/86/45/902278645.db2.gz BDFJSURNRBLESD-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001401961818 902325247 /nfs/dbraw/zinc/32/52/47/902325247.db2.gz SDEMRYQWLNSEHU-NSHDSACASA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001402062500 902346148 /nfs/dbraw/zinc/34/61/48/902346148.db2.gz UEEQZLAOKHVABO-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001402118647 902361613 /nfs/dbraw/zinc/36/16/13/902361613.db2.gz FSBNVSIWCXSJGR-DOMZBBRYSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001402118647 902361622 /nfs/dbraw/zinc/36/16/22/902361622.db2.gz FSBNVSIWCXSJGR-DOMZBBRYSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001402118647 902361632 /nfs/dbraw/zinc/36/16/32/902361632.db2.gz FSBNVSIWCXSJGR-DOMZBBRYSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001402118647 902361641 /nfs/dbraw/zinc/36/16/41/902361641.db2.gz FSBNVSIWCXSJGR-DOMZBBRYSA-N 2 1 296.415 -0.203 20 0 CBADMP CN1CCC[C@H]([N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001402177900 902378613 /nfs/dbraw/zinc/37/86/13/902378613.db2.gz CKGOAIFJRDDWCS-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001402231147 902384792 /nfs/dbraw/zinc/38/47/92/902384792.db2.gz MEJAQTOOBQDSAA-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001402231147 902384806 /nfs/dbraw/zinc/38/48/06/902384806.db2.gz MEJAQTOOBQDSAA-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001402231147 902384820 /nfs/dbraw/zinc/38/48/20/902384820.db2.gz MEJAQTOOBQDSAA-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001402231147 902384831 /nfs/dbraw/zinc/38/48/31/902384831.db2.gz MEJAQTOOBQDSAA-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001402231173 902385171 /nfs/dbraw/zinc/38/51/71/902385171.db2.gz MEJAQTOOBQDSAA-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001402231173 902385188 /nfs/dbraw/zinc/38/51/88/902385188.db2.gz MEJAQTOOBQDSAA-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001402231173 902385200 /nfs/dbraw/zinc/38/52/00/902385200.db2.gz MEJAQTOOBQDSAA-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001402231173 902385210 /nfs/dbraw/zinc/38/52/10/902385210.db2.gz MEJAQTOOBQDSAA-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP O=C(CC[NH+]1CCCCC1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001402299854 902415212 /nfs/dbraw/zinc/41/52/12/902415212.db2.gz AEJZXFIOEMFIGF-OAHLLOKOSA-N 2 1 299.415 -0.592 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001402298110 902416571 /nfs/dbraw/zinc/41/65/71/902416571.db2.gz UHUNGFGXISVWCE-AWEZNQCLSA-N 2 1 285.388 -0.718 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001402457495 902456154 /nfs/dbraw/zinc/45/61/54/902456154.db2.gz NKGJKJGSNLQFMT-DZGCQCFKSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001402457495 902456166 /nfs/dbraw/zinc/45/61/66/902456166.db2.gz NKGJKJGSNLQFMT-DZGCQCFKSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001402457495 902456177 /nfs/dbraw/zinc/45/61/77/902456177.db2.gz NKGJKJGSNLQFMT-DZGCQCFKSA-N 2 1 299.415 -0.736 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001402453748 902457479 /nfs/dbraw/zinc/45/74/79/902457479.db2.gz INACXBONUSBTGP-AWEZNQCLSA-N 2 1 296.371 -0.873 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001402453748 902457487 /nfs/dbraw/zinc/45/74/87/902457487.db2.gz INACXBONUSBTGP-AWEZNQCLSA-N 2 1 296.371 -0.873 20 0 CBADMP CC[C@@H](C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)OC ZINC001402490357 902463758 /nfs/dbraw/zinc/46/37/58/902463758.db2.gz FAHRPPBWGMMLEN-XDQVBPFNSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[C@@H](C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)OC ZINC001402490357 902463762 /nfs/dbraw/zinc/46/37/62/902463762.db2.gz FAHRPPBWGMMLEN-XDQVBPFNSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[C@@H](C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)OC ZINC001402490381 902464450 /nfs/dbraw/zinc/46/44/50/902464450.db2.gz FAHRPPBWGMMLEN-XUXIUFHCSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[C@@H](C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)OC ZINC001402490381 902464462 /nfs/dbraw/zinc/46/44/62/902464462.db2.gz FAHRPPBWGMMLEN-XUXIUFHCSA-N 2 1 299.415 -0.021 20 0 CBADMP 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 902477311 /nfs/dbraw/zinc/47/73/11/902477311.db2.gz ZHMVXDSUQRGLBT-CYDGBPFRSA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH+](C)[C@@H](C)C(N)=O ZINC001402682502 902500687 /nfs/dbraw/zinc/50/06/87/902500687.db2.gz RJDKLMSDMQJBPW-LBPRGKRZSA-N 2 1 286.420 -0.019 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CCC[N@H+](C)[C@@H](C)C(N)=O ZINC001402682502 902500696 /nfs/dbraw/zinc/50/06/96/902500696.db2.gz RJDKLMSDMQJBPW-LBPRGKRZSA-N 2 1 286.420 -0.019 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001402682502 902500707 /nfs/dbraw/zinc/50/07/07/902500707.db2.gz RJDKLMSDMQJBPW-LBPRGKRZSA-N 2 1 286.420 -0.019 20 0 CBADMP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+](CC(N)=O)C1)C1CCC1 ZINC001402669351 902502033 /nfs/dbraw/zinc/50/20/33/902502033.db2.gz UPBBUGSWFDYZGX-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+](CC(N)=O)C1)C1CCC1 ZINC001402669351 902502046 /nfs/dbraw/zinc/50/20/46/902502046.db2.gz UPBBUGSWFDYZGX-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1)C1CCC1 ZINC001402669351 902502057 /nfs/dbraw/zinc/50/20/57/902502057.db2.gz UPBBUGSWFDYZGX-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1)C1CCC1 ZINC001402669351 902502064 /nfs/dbraw/zinc/50/20/64/902502064.db2.gz UPBBUGSWFDYZGX-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001402702635 902504147 /nfs/dbraw/zinc/50/41/47/902504147.db2.gz VEFWOUNECMCMDQ-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001402723192 902507656 /nfs/dbraw/zinc/50/76/56/902507656.db2.gz UAOVDMIRORARBY-HNNXBMFYSA-N 2 1 296.415 -0.262 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001402713815 902508748 /nfs/dbraw/zinc/50/87/48/902508748.db2.gz HSBMRIVTWCZGSQ-NEPJUHHUSA-N 2 1 282.388 -0.748 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001402725344 902509625 /nfs/dbraw/zinc/50/96/25/902509625.db2.gz RTEIRTOMIKKZSD-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP CC[N@H+](CC(N)=O)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001402882290 902551682 /nfs/dbraw/zinc/55/16/82/902551682.db2.gz GJYZIPFWTBTZKF-UHFFFAOYSA-N 2 1 298.431 -0.016 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001402888782 902551702 /nfs/dbraw/zinc/55/17/02/902551702.db2.gz OUQPJZISVWWMGK-NWDGAFQWSA-N 2 1 284.404 -0.301 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001402908707 902559618 /nfs/dbraw/zinc/55/96/18/902559618.db2.gz QAFWVZOAQHTZTR-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cnn(C)n1 ZINC001403011215 902589277 /nfs/dbraw/zinc/58/92/77/902589277.db2.gz WCWFYZGJOJEOJA-NSHDSACASA-N 2 1 294.403 -0.249 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1nncn1C ZINC001403074371 902608055 /nfs/dbraw/zinc/60/80/55/902608055.db2.gz IQEAMOKRGSKOEG-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1nncn1C ZINC001403074371 902608060 /nfs/dbraw/zinc/60/80/60/902608060.db2.gz IQEAMOKRGSKOEG-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)[C@H](C)C(N)=O ZINC001403166443 902633958 /nfs/dbraw/zinc/63/39/58/902633958.db2.gz KHAIULCBJPWYHI-GHMZBOCLSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@@H+](C)[C@H](C)C(N)=O ZINC001403166443 902633963 /nfs/dbraw/zinc/63/39/63/902633963.db2.gz KHAIULCBJPWYHI-GHMZBOCLSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001403196370 902643816 /nfs/dbraw/zinc/64/38/16/902643816.db2.gz HAJCHVFCCAABOK-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001403196370 902643822 /nfs/dbraw/zinc/64/38/22/902643822.db2.gz HAJCHVFCCAABOK-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)NC(=O)CN(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403209801 902646703 /nfs/dbraw/zinc/64/67/03/902646703.db2.gz ZOGNCMGPWNOVNI-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001403209801 902646713 /nfs/dbraw/zinc/64/67/13/902646713.db2.gz ZOGNCMGPWNOVNI-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001403209801 902646721 /nfs/dbraw/zinc/64/67/21/902646721.db2.gz ZOGNCMGPWNOVNI-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403209801 902646735 /nfs/dbraw/zinc/64/67/35/902646735.db2.gz ZOGNCMGPWNOVNI-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403209801 902646749 /nfs/dbraw/zinc/64/67/49/902646749.db2.gz ZOGNCMGPWNOVNI-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001403224564 902653566 /nfs/dbraw/zinc/65/35/66/902653566.db2.gz PAWOXRQYMKODFK-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001403245283 902660269 /nfs/dbraw/zinc/66/02/69/902660269.db2.gz PGEUSIFTCZZBQJ-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001403282956 902661535 /nfs/dbraw/zinc/66/15/35/902661535.db2.gz VDSUHFIVUJWVNU-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001403455417 902694987 /nfs/dbraw/zinc/69/49/87/902694987.db2.gz QWRSIYXBWCGZRW-HAQNSBGRSA-N 2 1 293.371 -0.578 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CCC([N@@H+](C)CC(N)=O)CC2)CC1 ZINC001403488837 902699324 /nfs/dbraw/zinc/69/93/24/902699324.db2.gz QCAGQVYTBPKVRT-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001403588307 902742644 /nfs/dbraw/zinc/74/26/44/902742644.db2.gz VTBQVDXBYHEMDW-WCQYABFASA-N 2 1 298.387 -0.365 20 0 CBADMP C[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001403595588 902742993 /nfs/dbraw/zinc/74/29/93/902742993.db2.gz UCNHRCCESRFLKR-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001403595588 902743001 /nfs/dbraw/zinc/74/30/01/902743001.db2.gz UCNHRCCESRFLKR-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCNC1=O ZINC001403595588 902743012 /nfs/dbraw/zinc/74/30/12/902743012.db2.gz UCNHRCCESRFLKR-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)[C@H]1CCNC1=O ZINC001403595588 902743020 /nfs/dbraw/zinc/74/30/20/902743020.db2.gz UCNHRCCESRFLKR-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@@H+](C)CCN1CCCC1=O ZINC001403655499 902781605 /nfs/dbraw/zinc/78/16/05/902781605.db2.gz BLMDRAJJBMPBBM-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]CCO ZINC001403708198 902815607 /nfs/dbraw/zinc/81/56/07/902815607.db2.gz YRCDJBCKQFKEDY-NSHDSACASA-N 2 1 284.360 -0.935 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001403751952 902836724 /nfs/dbraw/zinc/83/67/24/902836724.db2.gz NNBQQKMOHHFAIR-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001403762592 902844970 /nfs/dbraw/zinc/84/49/70/902844970.db2.gz STEWMPWPSQSCSV-LBPRGKRZSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001403762592 902844978 /nfs/dbraw/zinc/84/49/78/902844978.db2.gz STEWMPWPSQSCSV-LBPRGKRZSA-N 2 1 298.387 -0.110 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001403782686 902848609 /nfs/dbraw/zinc/84/86/09/902848609.db2.gz PSORZNHCYJHRQV-ZYHUDNBSSA-N 2 1 293.371 -0.483 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001403782681 902849871 /nfs/dbraw/zinc/84/98/71/902849871.db2.gz PSORZNHCYJHRQV-PWSUYJOCSA-N 2 1 293.371 -0.483 20 0 CBADMP CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CC(N)=O)CC2)[NH+](C)C ZINC001403823324 902861233 /nfs/dbraw/zinc/86/12/33/902861233.db2.gz PXKJNEJSLQZVSS-LALPHHSUSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2)[NH+](C)C ZINC001403823324 902861244 /nfs/dbraw/zinc/86/12/44/902861244.db2.gz PXKJNEJSLQZVSS-LALPHHSUSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+](CCCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001403846191 902872367 /nfs/dbraw/zinc/87/23/67/902872367.db2.gz RYNYPVQTYKZPAM-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@@H+](CCCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001403846191 902872385 /nfs/dbraw/zinc/87/23/85/902872385.db2.gz RYNYPVQTYKZPAM-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[NH+](CCCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001403846191 902872392 /nfs/dbraw/zinc/87/23/92/902872392.db2.gz RYNYPVQTYKZPAM-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[NH+](CCCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001403846191 902872406 /nfs/dbraw/zinc/87/24/06/902872406.db2.gz RYNYPVQTYKZPAM-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](CC)[C@@H](C)C(N)=O)[NH+](C)C ZINC001403867580 902881199 /nfs/dbraw/zinc/88/11/99/902881199.db2.gz NLDZIZWFRSYWRL-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](CC)[C@@H](C)C(N)=O)[NH+](C)C ZINC001403867580 902881216 /nfs/dbraw/zinc/88/12/16/902881216.db2.gz NLDZIZWFRSYWRL-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](CC)[C@H](C)C(=O)NC)[NH+](C)C ZINC001403869194 902884089 /nfs/dbraw/zinc/88/40/89/902884089.db2.gz QMIAREKQALCPIE-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](CC)[C@H](C)C(=O)NC)[NH+](C)C ZINC001403869194 902884096 /nfs/dbraw/zinc/88/40/96/902884096.db2.gz QMIAREKQALCPIE-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CO[C@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001403883373 902891708 /nfs/dbraw/zinc/89/17/08/902891708.db2.gz QDGSNCBAHIZFKJ-DGCLKSJQSA-N 2 1 298.387 -0.365 20 0 CBADMP CC[N@H+](CCNC(=O)CC[NH+](C)C)CC(=O)N1CCCC1 ZINC001403910444 902903834 /nfs/dbraw/zinc/90/38/34/902903834.db2.gz UOQBZJBMGYIPBC-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)CC(=O)N1CCCC1 ZINC001403910444 902903843 /nfs/dbraw/zinc/90/38/43/902903843.db2.gz UOQBZJBMGYIPBC-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP C[NH+]1CCC(OCC(=O)NC[C@@H]2CCC[N@H+]2CCO)CC1 ZINC001404001567 902920471 /nfs/dbraw/zinc/92/04/71/902920471.db2.gz FUMQLEMGZFPUNI-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001404012233 902923991 /nfs/dbraw/zinc/92/39/91/902923991.db2.gz BPXMXNAXYJNBOS-PNESKVBLSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001404023170 902926700 /nfs/dbraw/zinc/92/67/00/902926700.db2.gz ZTPKRFOFERRWCG-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001404023170 902926705 /nfs/dbraw/zinc/92/67/05/902926705.db2.gz ZTPKRFOFERRWCG-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001404098293 902939224 /nfs/dbraw/zinc/93/92/24/902939224.db2.gz ZPVIOOOCCKCUGC-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001404098293 902939235 /nfs/dbraw/zinc/93/92/35/902939235.db2.gz ZPVIOOOCCKCUGC-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404098293 902939250 /nfs/dbraw/zinc/93/92/50/902939250.db2.gz ZPVIOOOCCKCUGC-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001458796893 914678142 /nfs/dbraw/zinc/67/81/42/914678142.db2.gz NKQMWVGXNXOSFA-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001404263207 902959791 /nfs/dbraw/zinc/95/97/91/902959791.db2.gz NKBJKBPAWHSEJQ-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001404263207 902959797 /nfs/dbraw/zinc/95/97/97/902959797.db2.gz NKBJKBPAWHSEJQ-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H]([NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)C(N)=O ZINC001404338679 902979072 /nfs/dbraw/zinc/97/90/72/902979072.db2.gz ZVARSZHCITYXKT-LLVKDONJSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H]1CCCNC1=O ZINC001404432222 902985145 /nfs/dbraw/zinc/98/51/45/902985145.db2.gz DJXBTKDOOYEFPG-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001404668546 903013627 /nfs/dbraw/zinc/01/36/27/903013627.db2.gz GPLASANYOMURPE-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001404668546 903013641 /nfs/dbraw/zinc/01/36/41/903013641.db2.gz GPLASANYOMURPE-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001458793511 914677724 /nfs/dbraw/zinc/67/77/24/914677724.db2.gz DZXQXKRGXKNJMB-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](O)COC ZINC001404979175 903065272 /nfs/dbraw/zinc/06/52/72/903065272.db2.gz LNSPBHMXUKGYEO-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)COC ZINC001404979175 903065286 /nfs/dbraw/zinc/06/52/86/903065286.db2.gz LNSPBHMXUKGYEO-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)COC ZINC001404979175 903065295 /nfs/dbraw/zinc/06/52/95/903065295.db2.gz LNSPBHMXUKGYEO-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001405031560 903074066 /nfs/dbraw/zinc/07/40/66/903074066.db2.gz RQSPSFSXMGGMBK-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001405031560 903074078 /nfs/dbraw/zinc/07/40/78/903074078.db2.gz RQSPSFSXMGGMBK-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001405040477 903076631 /nfs/dbraw/zinc/07/66/31/903076631.db2.gz TXXZDPSMPLJGOU-ZDUSSCGKSA-N 2 1 285.388 -0.718 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@H+](CCCO)C1 ZINC001405040477 903076638 /nfs/dbraw/zinc/07/66/38/903076638.db2.gz TXXZDPSMPLJGOU-ZDUSSCGKSA-N 2 1 285.388 -0.718 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001405124411 903089235 /nfs/dbraw/zinc/08/92/35/903089235.db2.gz NTAKJWXYOCPOJT-WCQYABFASA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001405124411 903089249 /nfs/dbraw/zinc/08/92/49/903089249.db2.gz NTAKJWXYOCPOJT-WCQYABFASA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001405124411 903089270 /nfs/dbraw/zinc/08/92/70/903089270.db2.gz NTAKJWXYOCPOJT-WCQYABFASA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001405124411 903089284 /nfs/dbraw/zinc/08/92/84/903089284.db2.gz NTAKJWXYOCPOJT-WCQYABFASA-N 2 1 296.415 -0.123 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001405130125 903091260 /nfs/dbraw/zinc/09/12/60/903091260.db2.gz VTAKWVAPLXXIRZ-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001405130125 903091274 /nfs/dbraw/zinc/09/12/74/903091274.db2.gz VTAKWVAPLXXIRZ-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001405159784 903093798 /nfs/dbraw/zinc/09/37/98/903093798.db2.gz UFEQFUVJJYPTRP-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001405159784 903093813 /nfs/dbraw/zinc/09/38/13/903093813.db2.gz UFEQFUVJJYPTRP-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001405159784 903093825 /nfs/dbraw/zinc/09/38/25/903093825.db2.gz UFEQFUVJJYPTRP-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001405159784 903093845 /nfs/dbraw/zinc/09/38/45/903093845.db2.gz UFEQFUVJJYPTRP-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001405357021 903154149 /nfs/dbraw/zinc/15/41/49/903154149.db2.gz ZKBOQTYZLZFPDN-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405748867 903213772 /nfs/dbraw/zinc/21/37/72/903213772.db2.gz ZFYOLHCPYXKREW-QWHCGFSZSA-N 2 1 298.431 -0.194 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405745748 903213883 /nfs/dbraw/zinc/21/38/83/903213883.db2.gz UZBFPPKJIDAUDJ-GHMZBOCLSA-N 2 1 270.377 -0.974 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001405792764 903221262 /nfs/dbraw/zinc/22/12/62/903221262.db2.gz RAPMBVUEORJVGX-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC001405876341 903242621 /nfs/dbraw/zinc/24/26/21/903242621.db2.gz NUEKCTNRMSUWKF-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CCC[NH+]1C ZINC001406131258 903276585 /nfs/dbraw/zinc/27/65/85/903276585.db2.gz ZLDARMLZUSYOOR-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CCC[NH+]1C ZINC001406131258 903276596 /nfs/dbraw/zinc/27/65/96/903276596.db2.gz ZLDARMLZUSYOOR-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001406131258 903276612 /nfs/dbraw/zinc/27/66/12/903276612.db2.gz ZLDARMLZUSYOOR-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001406131258 903276626 /nfs/dbraw/zinc/27/66/26/903276626.db2.gz ZLDARMLZUSYOOR-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H]1CCCNC1=O ZINC001406154086 903280887 /nfs/dbraw/zinc/28/08/87/903280887.db2.gz NNMGMUVAOOMFDZ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H]1CCCNC1=O ZINC001406154086 903280894 /nfs/dbraw/zinc/28/08/94/903280894.db2.gz NNMGMUVAOOMFDZ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@@H]1CCCNC1=O ZINC001406154086 903280902 /nfs/dbraw/zinc/28/09/02/903280902.db2.gz NNMGMUVAOOMFDZ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001406154086 903280908 /nfs/dbraw/zinc/28/09/08/903280908.db2.gz NNMGMUVAOOMFDZ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)C[NH+]1CCCC1 ZINC001406165306 903285188 /nfs/dbraw/zinc/28/51/88/903285188.db2.gz NKWNAZXTHZUAAV-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)C[NH+]1CCCC1 ZINC001406165306 903285198 /nfs/dbraw/zinc/28/51/98/903285198.db2.gz NKWNAZXTHZUAAV-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001406216070 903304502 /nfs/dbraw/zinc/30/45/02/903304502.db2.gz ZOMOBAITNDTHPC-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1)[NH+](C)C ZINC001406260053 903331516 /nfs/dbraw/zinc/33/15/16/903331516.db2.gz LISATOWTAITQMX-RYUDHWBXSA-N 2 1 284.360 -0.419 20 0 CBADMP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)CCc1cnc[nH]1 ZINC001406293062 903344188 /nfs/dbraw/zinc/34/41/88/903344188.db2.gz BBUYVNJTNVMMIK-PWSUYJOCSA-N 2 1 293.371 -0.285 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001406321405 903354353 /nfs/dbraw/zinc/35/43/53/903354353.db2.gz DXGYYYPRFBCQLQ-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406358323 903374105 /nfs/dbraw/zinc/37/41/05/903374105.db2.gz GIPRLYJTTNWEOA-NQBHXWOUSA-N 2 1 296.415 -0.301 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001406373009 903380171 /nfs/dbraw/zinc/38/01/71/903380171.db2.gz GXUYOWHHPOCKOC-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001406387839 903387544 /nfs/dbraw/zinc/38/75/44/903387544.db2.gz UBPJBWMYGXFZQQ-GRYCIOLGSA-N 2 1 284.404 -0.348 20 0 CBADMP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001406481947 903414013 /nfs/dbraw/zinc/41/40/13/903414013.db2.gz NGYAMTDDOYZFBU-WCQYABFASA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001406510389 903423421 /nfs/dbraw/zinc/42/34/21/903423421.db2.gz DDFYNTYKQKGRNF-AVGNSLFASA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001406648841 903457275 /nfs/dbraw/zinc/45/72/75/903457275.db2.gz AZYAPKUAVFHCLN-LBPRGKRZSA-N 2 1 299.419 -0.600 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001406812755 903483269 /nfs/dbraw/zinc/48/32/69/903483269.db2.gz DAAAXWPPLKSEHB-YPMHNXCESA-N 2 1 298.431 -0.055 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1)C(N)=O ZINC001406957679 903516116 /nfs/dbraw/zinc/51/61/16/903516116.db2.gz KZVFGDQCDMRJCZ-WDEREUQCSA-N 2 1 282.388 -0.560 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1)C(N)=O ZINC001406957662 903517809 /nfs/dbraw/zinc/51/78/09/903517809.db2.gz KZVFGDQCDMRJCZ-GHMZBOCLSA-N 2 1 282.388 -0.560 20 0 CBADMP Cn1nncc1C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001406954962 903517943 /nfs/dbraw/zinc/51/79/43/903517943.db2.gz NRKSQSXIEXFOCM-GFCCVEGCSA-N 2 1 292.387 -0.352 20 0 CBADMP CO[C@H](C)C[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001406976753 903520024 /nfs/dbraw/zinc/52/00/24/903520024.db2.gz JUAUEKUEZWATDY-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001406986721 903525801 /nfs/dbraw/zinc/52/58/01/903525801.db2.gz JVHMKGWWXYERKL-NEPJUHHUSA-N 2 1 294.399 -0.545 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001406986726 903526412 /nfs/dbraw/zinc/52/64/12/903526412.db2.gz JVHMKGWWXYERKL-NWDGAFQWSA-N 2 1 294.399 -0.545 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001407159316 903554051 /nfs/dbraw/zinc/55/40/51/903554051.db2.gz BELGTNHVYOUXLX-UMVBOHGHSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001407159316 903554076 /nfs/dbraw/zinc/55/40/76/903554076.db2.gz BELGTNHVYOUXLX-UMVBOHGHSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001407159316 903554086 /nfs/dbraw/zinc/55/40/86/903554086.db2.gz BELGTNHVYOUXLX-UMVBOHGHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001407272912 903559859 /nfs/dbraw/zinc/55/98/59/903559859.db2.gz WVPJNIVDAACXCV-LBPRGKRZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001407347246 903576288 /nfs/dbraw/zinc/57/62/88/903576288.db2.gz MJTSHZVWWCUTQU-WFASDCNBSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](O)C[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001407347246 903576297 /nfs/dbraw/zinc/57/62/97/903576297.db2.gz MJTSHZVWWCUTQU-WFASDCNBSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](O)C[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001407347246 903576307 /nfs/dbraw/zinc/57/63/07/903576307.db2.gz MJTSHZVWWCUTQU-WFASDCNBSA-N 2 1 299.415 -0.596 20 0 CBADMP CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001407360235 903578531 /nfs/dbraw/zinc/57/85/31/903578531.db2.gz WRQYDSXVCMVCRP-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001407360235 903578541 /nfs/dbraw/zinc/57/85/41/903578541.db2.gz WRQYDSXVCMVCRP-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001407360235 903578553 /nfs/dbraw/zinc/57/85/53/903578553.db2.gz WRQYDSXVCMVCRP-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001407360235 903578569 /nfs/dbraw/zinc/57/85/69/903578569.db2.gz WRQYDSXVCMVCRP-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001407360230 903579609 /nfs/dbraw/zinc/57/96/09/903579609.db2.gz WRQYDSXVCMVCRP-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001407360230 903579616 /nfs/dbraw/zinc/57/96/16/903579616.db2.gz WRQYDSXVCMVCRP-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001407360230 903579621 /nfs/dbraw/zinc/57/96/21/903579621.db2.gz WRQYDSXVCMVCRP-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001407360230 903579629 /nfs/dbraw/zinc/57/96/29/903579629.db2.gz WRQYDSXVCMVCRP-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001407369873 903582988 /nfs/dbraw/zinc/58/29/88/903582988.db2.gz SOKJFGVKNHSBEF-SWLSCSKDSA-N 2 1 299.415 -0.738 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H]1CCOC1 ZINC001407767079 903655746 /nfs/dbraw/zinc/65/57/46/903655746.db2.gz YQZOYFVKINZUEA-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1COCC[N@H+]1C[C@@H]1CCOC1 ZINC001407767079 903655758 /nfs/dbraw/zinc/65/57/58/903655758.db2.gz YQZOYFVKINZUEA-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP Cn1nnnc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001407809635 903662657 /nfs/dbraw/zinc/66/26/57/903662657.db2.gz YWAVDGAAFAWPGN-UHFFFAOYSA-N 2 1 295.391 -0.710 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001407883412 903675474 /nfs/dbraw/zinc/67/54/74/903675474.db2.gz YJPLCEHCZNXQBD-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001407883412 903675484 /nfs/dbraw/zinc/67/54/84/903675484.db2.gz YJPLCEHCZNXQBD-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001407883412 903675496 /nfs/dbraw/zinc/67/54/96/903675496.db2.gz YJPLCEHCZNXQBD-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP COCC[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001407905898 903680334 /nfs/dbraw/zinc/68/03/34/903680334.db2.gz KYUDVHDZSCJONY-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP COCC[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001407905898 903680340 /nfs/dbraw/zinc/68/03/40/903680340.db2.gz KYUDVHDZSCJONY-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP COCC[NH+](C)CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001407905898 903680348 /nfs/dbraw/zinc/68/03/48/903680348.db2.gz KYUDVHDZSCJONY-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP COCC[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001407905898 903680353 /nfs/dbraw/zinc/68/03/53/903680353.db2.gz KYUDVHDZSCJONY-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001408303490 903749581 /nfs/dbraw/zinc/74/95/81/903749581.db2.gz RVGLLLPVGOGVES-RWMBFGLXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001408334972 903751123 /nfs/dbraw/zinc/75/11/23/903751123.db2.gz HQGIDCFVCDPGJG-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001408334972 903751137 /nfs/dbraw/zinc/75/11/37/903751137.db2.gz HQGIDCFVCDPGJG-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)CC[NH+](C)C ZINC001408336246 903751542 /nfs/dbraw/zinc/75/15/42/903751542.db2.gz SCNOSDLXTOZBJT-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001409413858 903897057 /nfs/dbraw/zinc/89/70/57/903897057.db2.gz YDRFXUQPELRPBW-NWDGAFQWSA-N 2 1 295.387 -0.190 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001409519519 903913520 /nfs/dbraw/zinc/91/35/20/903913520.db2.gz QPDHUXNCQZDQOF-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001409519519 903913535 /nfs/dbraw/zinc/91/35/35/903913535.db2.gz QPDHUXNCQZDQOF-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001409519519 903913545 /nfs/dbraw/zinc/91/35/45/903913545.db2.gz QPDHUXNCQZDQOF-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001409519519 903913557 /nfs/dbraw/zinc/91/35/57/903913557.db2.gz QPDHUXNCQZDQOF-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001409507428 903914057 /nfs/dbraw/zinc/91/40/57/903914057.db2.gz KNCNDMFJIUWRFB-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001409507428 903914069 /nfs/dbraw/zinc/91/40/69/903914069.db2.gz KNCNDMFJIUWRFB-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001409507428 903914076 /nfs/dbraw/zinc/91/40/76/903914076.db2.gz KNCNDMFJIUWRFB-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001409507428 903914087 /nfs/dbraw/zinc/91/40/87/903914087.db2.gz KNCNDMFJIUWRFB-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)CCn1cncn1 ZINC001409535816 903916221 /nfs/dbraw/zinc/91/62/21/903916221.db2.gz ZQBGWNUEVLRTQI-OLZOCXBDSA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)CCn1cncn1 ZINC001409535816 903916232 /nfs/dbraw/zinc/91/62/32/903916232.db2.gz ZQBGWNUEVLRTQI-OLZOCXBDSA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)CCn1cncn1 ZINC001409535816 903916245 /nfs/dbraw/zinc/91/62/45/903916245.db2.gz ZQBGWNUEVLRTQI-OLZOCXBDSA-N 2 1 294.403 -0.191 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001409682740 903956967 /nfs/dbraw/zinc/95/69/67/903956967.db2.gz NSXIIRMMQDXZTG-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)NC(=O)C[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001409947211 903986431 /nfs/dbraw/zinc/98/64/31/903986431.db2.gz QMKYKSRSBDBQFP-LBPRGKRZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC1(C)C[N@H+](CCO)C[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001410028442 903995292 /nfs/dbraw/zinc/99/52/92/903995292.db2.gz PPHXNVYELFULAK-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001410028442 903995302 /nfs/dbraw/zinc/99/53/02/903995302.db2.gz PPHXNVYELFULAK-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP CN(C)C(=O)[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001460234367 914774650 /nfs/dbraw/zinc/77/46/50/914774650.db2.gz ARXOZZYLNLJDIA-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP CN(C)C(=O)[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001460234367 914774655 /nfs/dbraw/zinc/77/46/55/914774655.db2.gz ARXOZZYLNLJDIA-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001410233702 904050313 /nfs/dbraw/zinc/05/03/13/904050313.db2.gz YBCFVFRUDQDXTN-AVGNSLFASA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001410340238 904075768 /nfs/dbraw/zinc/07/57/68/904075768.db2.gz HBPGJABLLKMRDZ-AAEUAGOBSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001410340238 904075782 /nfs/dbraw/zinc/07/57/82/904075782.db2.gz HBPGJABLLKMRDZ-AAEUAGOBSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001410477709 904104514 /nfs/dbraw/zinc/10/45/14/904104514.db2.gz BLIUYLUCDCUFHP-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001410477696 904105039 /nfs/dbraw/zinc/10/50/39/904105039.db2.gz BLIUYLUCDCUFHP-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001410588635 904138541 /nfs/dbraw/zinc/13/85/41/904138541.db2.gz XAACJNVSIBKYMM-STQMWFEESA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001410588635 904138550 /nfs/dbraw/zinc/13/85/50/904138550.db2.gz XAACJNVSIBKYMM-STQMWFEESA-N 2 1 287.404 -0.570 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCO)C1 ZINC001410718830 904168806 /nfs/dbraw/zinc/16/88/06/904168806.db2.gz BVCHELNAUKYPRJ-CHWSQXEVSA-N 2 1 287.404 -0.833 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001411042741 904228175 /nfs/dbraw/zinc/22/81/75/904228175.db2.gz LXWUMPZKAAEDQH-DGCLKSJQSA-N 2 1 287.404 -0.740 20 0 CBADMP COCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@@H](C)O ZINC001411213298 904263878 /nfs/dbraw/zinc/26/38/78/904263878.db2.gz FOUNOMRFKVDCTH-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C[C@@H](C)O ZINC001411213298 904263893 /nfs/dbraw/zinc/26/38/93/904263893.db2.gz FOUNOMRFKVDCTH-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C[C@@H](C)O ZINC001411213298 904263908 /nfs/dbraw/zinc/26/39/08/904263908.db2.gz FOUNOMRFKVDCTH-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[N@@H+](CCO)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001411223051 904268000 /nfs/dbraw/zinc/26/80/00/904268000.db2.gz HGFFPXKIZIJJBS-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP COCC[NH+](CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001411223051 904268012 /nfs/dbraw/zinc/26/80/12/904268012.db2.gz HGFFPXKIZIJJBS-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP COCC[NH+](CCO)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001411223051 904268022 /nfs/dbraw/zinc/26/80/22/904268022.db2.gz HGFFPXKIZIJJBS-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]CC(=O)N(C)C)C1 ZINC001411247846 904274556 /nfs/dbraw/zinc/27/45/56/904274556.db2.gz GERWWRJSXMGAFA-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)CC1 ZINC001460967335 914841599 /nfs/dbraw/zinc/84/15/99/914841599.db2.gz QWOZVNRCUZBNLB-UONOGXRCSA-N 2 1 299.415 -0.927 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](CO)[C@@H](CCO)C2)CC1 ZINC001460967335 914841619 /nfs/dbraw/zinc/84/16/19/914841619.db2.gz QWOZVNRCUZBNLB-UONOGXRCSA-N 2 1 299.415 -0.927 20 0 CBADMP COC(=O)[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CC[NH+](C)C1 ZINC001413004279 904860183 /nfs/dbraw/zinc/86/01/83/904860183.db2.gz APQFDUJFLMMJTC-GXTWGEPZSA-N 2 1 299.415 -0.522 20 0 CBADMP CC(C)(O)[C@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001413029842 904878042 /nfs/dbraw/zinc/87/80/42/904878042.db2.gz GWHYNGSZFACIBF-QWHCGFSZSA-N 2 1 272.389 -0.351 20 0 CBADMP CC(C)(O)[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001413029842 904878023 /nfs/dbraw/zinc/87/80/23/904878023.db2.gz GWHYNGSZFACIBF-QWHCGFSZSA-N 2 1 272.389 -0.351 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001413327257 905020608 /nfs/dbraw/zinc/02/06/08/905020608.db2.gz PBZLDPOEZAINDB-CHWSQXEVSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001413327257 905020626 /nfs/dbraw/zinc/02/06/26/905020626.db2.gz PBZLDPOEZAINDB-CHWSQXEVSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001413327257 905020642 /nfs/dbraw/zinc/02/06/42/905020642.db2.gz PBZLDPOEZAINDB-CHWSQXEVSA-N 2 1 287.404 -0.786 20 0 CBADMP C[NH+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001415997744 905691348 /nfs/dbraw/zinc/69/13/48/905691348.db2.gz WQQHSECJURALEC-LLVKDONJSA-N 2 1 282.388 -0.783 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001417021518 905853133 /nfs/dbraw/zinc/85/31/33/905853133.db2.gz LWNSIUYPLIFHKO-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CCc2cnc[nH]2)C1)C(N)=O ZINC001417789477 906050138 /nfs/dbraw/zinc/05/01/38/906050138.db2.gz ALAAZBSDPJKFEK-CKYFFXLPSA-N 2 1 293.371 -0.300 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001417794364 906053655 /nfs/dbraw/zinc/05/36/55/906053655.db2.gz MBMHNPVNCFMZLC-MGPQQGTHSA-N 2 1 299.415 -0.426 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001417801796 906058440 /nfs/dbraw/zinc/05/84/40/906058440.db2.gz MYZXMVODZXHSHG-FDYHWXHSSA-N 2 1 296.415 -0.443 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001417936346 906116038 /nfs/dbraw/zinc/11/60/38/906116038.db2.gz ZDPGXRJZOCLYBM-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001417936346 906116046 /nfs/dbraw/zinc/11/60/46/906116046.db2.gz ZDPGXRJZOCLYBM-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001417936346 906116053 /nfs/dbraw/zinc/11/60/53/906116053.db2.gz ZDPGXRJZOCLYBM-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001417936346 906116062 /nfs/dbraw/zinc/11/60/62/906116062.db2.gz ZDPGXRJZOCLYBM-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001417944810 906120269 /nfs/dbraw/zinc/12/02/69/906120269.db2.gz KZMRWQPPHYVHQN-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001417944810 906120278 /nfs/dbraw/zinc/12/02/78/906120278.db2.gz KZMRWQPPHYVHQN-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001418059027 906155321 /nfs/dbraw/zinc/15/53/21/906155321.db2.gz ROIKXCXXXQNSQQ-DHGKCCLASA-N 2 1 299.415 -0.429 20 0 CBADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001418225548 906221869 /nfs/dbraw/zinc/22/18/69/906221869.db2.gz ANHJMHJSMPFUDO-GHMZBOCLSA-N 2 1 295.387 -0.024 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001418232306 906226730 /nfs/dbraw/zinc/22/67/30/906226730.db2.gz CVUJDOVDCVLOSZ-UWVGGRQHSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001418244498 906235491 /nfs/dbraw/zinc/23/54/91/906235491.db2.gz YQAMERCNXZWLNO-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP CCn1cc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001418260992 906241651 /nfs/dbraw/zinc/24/16/51/906241651.db2.gz JNBLHROJXKHEMG-WCQYABFASA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1cc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001418260992 906241669 /nfs/dbraw/zinc/24/16/69/906241669.db2.gz JNBLHROJXKHEMG-WCQYABFASA-N 2 1 294.403 -0.014 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1nncn1C)[NH+](C)C ZINC001418296102 906268256 /nfs/dbraw/zinc/26/82/56/906268256.db2.gz AVVGTYMRAPOIGH-QWRGUYRKSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001418315697 906278377 /nfs/dbraw/zinc/27/83/77/906278377.db2.gz JWVWEKNPZOBSJS-MNOVXSKESA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001418315697 906278394 /nfs/dbraw/zinc/27/83/94/906278394.db2.gz JWVWEKNPZOBSJS-MNOVXSKESA-N 2 1 280.376 -0.639 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001418317380 906278829 /nfs/dbraw/zinc/27/88/29/906278829.db2.gz NAHHPXMNJWUDNG-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC(N)=O)C1 ZINC001418378879 906299458 /nfs/dbraw/zinc/29/94/58/906299458.db2.gz ZUPHJJHPSKCLIB-LBPRGKRZSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC(N)=O)C1 ZINC001418378879 906299468 /nfs/dbraw/zinc/29/94/68/906299468.db2.gz ZUPHJJHPSKCLIB-LBPRGKRZSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001418378879 906299482 /nfs/dbraw/zinc/29/94/82/906299482.db2.gz ZUPHJJHPSKCLIB-LBPRGKRZSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001418378879 906299502 /nfs/dbraw/zinc/29/95/02/906299502.db2.gz ZUPHJJHPSKCLIB-LBPRGKRZSA-N 2 1 284.404 -0.265 20 0 CBADMP CCCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418433586 906317996 /nfs/dbraw/zinc/31/79/96/906317996.db2.gz SGMYJJBAWCXWIF-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](C(N)=O)N(C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001418471964 906353120 /nfs/dbraw/zinc/35/31/20/906353120.db2.gz XEJZOYBURRURAH-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001418471964 906353132 /nfs/dbraw/zinc/35/31/32/906353132.db2.gz XEJZOYBURRURAH-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001418471964 906353142 /nfs/dbraw/zinc/35/31/42/906353142.db2.gz XEJZOYBURRURAH-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001418471964 906353156 /nfs/dbraw/zinc/35/31/56/906353156.db2.gz XEJZOYBURRURAH-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001418471964 906353166 /nfs/dbraw/zinc/35/31/66/906353166.db2.gz XEJZOYBURRURAH-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[N@H+](C)[C@H]1CCCNC1=O ZINC001418495616 906371675 /nfs/dbraw/zinc/37/16/75/906371675.db2.gz OJLVFTHWALMMMM-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001418495616 906371686 /nfs/dbraw/zinc/37/16/86/906371686.db2.gz OJLVFTHWALMMMM-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001418511919 906374914 /nfs/dbraw/zinc/37/49/14/906374914.db2.gz JPLUHHUDAHSTAP-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001418511919 906374919 /nfs/dbraw/zinc/37/49/19/906374919.db2.gz JPLUHHUDAHSTAP-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP CCC[N@H+](C)CCC(=O)NCC[NH+](C)[C@H]1CCN(C)C1=O ZINC001418517431 906382786 /nfs/dbraw/zinc/38/27/86/906382786.db2.gz WFILTDZNEPWRPJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@H]1CCN(C)C1=O ZINC001418517431 906382807 /nfs/dbraw/zinc/38/28/07/906382807.db2.gz WFILTDZNEPWRPJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001418517431 906382823 /nfs/dbraw/zinc/38/28/23/906382823.db2.gz WFILTDZNEPWRPJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001418517431 906382838 /nfs/dbraw/zinc/38/28/38/906382838.db2.gz WFILTDZNEPWRPJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@H](O)COC ZINC001418538487 906399137 /nfs/dbraw/zinc/39/91/37/906399137.db2.gz DPXURAFTLZUJQH-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C[C@H](O)COC ZINC001418538487 906399148 /nfs/dbraw/zinc/39/91/48/906399148.db2.gz DPXURAFTLZUJQH-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C[C@H](O)COC ZINC001418538487 906399166 /nfs/dbraw/zinc/39/91/66/906399166.db2.gz DPXURAFTLZUJQH-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001418701568 906449532 /nfs/dbraw/zinc/44/95/32/906449532.db2.gz KBIRWIPMIZSFRM-YVECIDJPSA-N 2 1 296.415 -0.314 20 0 CBADMP CN(C)C(=O)C[N@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001418780708 906470900 /nfs/dbraw/zinc/47/09/00/906470900.db2.gz VLVRKSBPCDRUKB-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C)C(=O)C[N@@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001418780708 906470909 /nfs/dbraw/zinc/47/09/09/906470909.db2.gz VLVRKSBPCDRUKB-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC(N)=O ZINC001418802644 906475550 /nfs/dbraw/zinc/47/55/50/906475550.db2.gz FEAZMWNGQZBCQL-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC(N)=O ZINC001418802644 906475556 /nfs/dbraw/zinc/47/55/56/906475556.db2.gz FEAZMWNGQZBCQL-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001418813214 906484564 /nfs/dbraw/zinc/48/45/64/906484564.db2.gz VAALKZVFFKBJQC-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001418813217 906485507 /nfs/dbraw/zinc/48/55/07/906485507.db2.gz VAALKZVFFKBJQC-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001418825924 906488177 /nfs/dbraw/zinc/48/81/77/906488177.db2.gz IKJBGMBRCPQHTR-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418906693 906510513 /nfs/dbraw/zinc/51/05/13/906510513.db2.gz VSSMLDDIYFEEDY-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001418942356 906522753 /nfs/dbraw/zinc/52/27/53/906522753.db2.gz LSCPNNKEHIBXQU-GFCCVEGCSA-N 2 1 282.388 -0.652 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001418955387 906530344 /nfs/dbraw/zinc/53/03/44/906530344.db2.gz YGHOIEUUCPIGPB-CYBMUJFWSA-N 2 1 285.388 -0.718 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001418955387 906530357 /nfs/dbraw/zinc/53/03/57/906530357.db2.gz YGHOIEUUCPIGPB-CYBMUJFWSA-N 2 1 285.388 -0.718 20 0 CBADMP CCN(C)C(=O)CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001419037113 906569838 /nfs/dbraw/zinc/56/98/38/906569838.db2.gz FCCSASZCWFJQSP-CYBMUJFWSA-N 2 1 296.415 -0.536 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001419135110 906606150 /nfs/dbraw/zinc/60/61/50/906606150.db2.gz FVQYTSOZTCVWKS-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001419135110 906606160 /nfs/dbraw/zinc/60/61/60/906606160.db2.gz FVQYTSOZTCVWKS-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001419135110 906606169 /nfs/dbraw/zinc/60/61/69/906606169.db2.gz FVQYTSOZTCVWKS-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001419135110 906606180 /nfs/dbraw/zinc/60/61/80/906606180.db2.gz FVQYTSOZTCVWKS-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001419149458 906616792 /nfs/dbraw/zinc/61/67/92/906616792.db2.gz SIPLIQMIUAGPSX-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001419149458 906616798 /nfs/dbraw/zinc/61/67/98/906616798.db2.gz SIPLIQMIUAGPSX-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001419189089 906634955 /nfs/dbraw/zinc/63/49/55/906634955.db2.gz JWEBSWMEDYXYFS-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001419189089 906634962 /nfs/dbraw/zinc/63/49/62/906634962.db2.gz JWEBSWMEDYXYFS-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001419189089 906634971 /nfs/dbraw/zinc/63/49/71/906634971.db2.gz JWEBSWMEDYXYFS-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001419189089 906634979 /nfs/dbraw/zinc/63/49/79/906634979.db2.gz JWEBSWMEDYXYFS-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP CC[C@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+][C@H](C)C(=O)NC ZINC001419224609 906639997 /nfs/dbraw/zinc/63/99/97/906639997.db2.gz VKXPTKUDQLURIZ-VXGBXAGGSA-N 2 1 295.387 -0.190 20 0 CBADMP CC[C@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+][C@@H](CC)C(N)=O ZINC001419218944 906641504 /nfs/dbraw/zinc/64/15/04/906641504.db2.gz ORBMNHWXKZUJDU-NEPJUHHUSA-N 2 1 295.387 -0.060 20 0 CBADMP C[N@H+](CCO)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001419323982 906663480 /nfs/dbraw/zinc/66/34/80/906663480.db2.gz UTRKNOZHIZZJLH-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP C[N@@H+](CCO)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001419323982 906663488 /nfs/dbraw/zinc/66/34/88/906663488.db2.gz UTRKNOZHIZZJLH-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCO)C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001419323982 906663492 /nfs/dbraw/zinc/66/34/92/906663492.db2.gz UTRKNOZHIZZJLH-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCO)C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001419323982 906663500 /nfs/dbraw/zinc/66/35/00/906663500.db2.gz UTRKNOZHIZZJLH-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001419315272 906663519 /nfs/dbraw/zinc/66/35/19/906663519.db2.gz AKQKONQKDQFKOU-YPMHNXCESA-N 2 1 298.431 -0.055 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001419414995 906683173 /nfs/dbraw/zinc/68/31/73/906683173.db2.gz XHNUSVMJLVKEHP-IJLUTSLNSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)[NH+](C)C ZINC001419427409 906685473 /nfs/dbraw/zinc/68/54/73/906685473.db2.gz QBPDOMAZQZGBRO-GMTAPVOTSA-N 2 1 295.391 -0.713 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001419434030 906686085 /nfs/dbraw/zinc/68/60/85/906686085.db2.gz BKRLBJLWKUQQHN-HAQNSBGRSA-N 2 1 294.403 -0.106 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001419490981 906704343 /nfs/dbraw/zinc/70/43/43/906704343.db2.gz JJROFXPLUNOACY-RWMBFGLXSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419572621 906730785 /nfs/dbraw/zinc/73/07/85/906730785.db2.gz XDKUOQRXDNRYNO-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419572621 906730798 /nfs/dbraw/zinc/73/07/98/906730798.db2.gz XDKUOQRXDNRYNO-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001419708787 906778737 /nfs/dbraw/zinc/77/87/37/906778737.db2.gz KGRLTABZCZLHRY-QWRGUYRKSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001419708787 906778754 /nfs/dbraw/zinc/77/87/54/906778754.db2.gz KGRLTABZCZLHRY-QWRGUYRKSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001419782136 906814463 /nfs/dbraw/zinc/81/44/63/906814463.db2.gz XVKPSWILIFYUPG-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001419902628 906850976 /nfs/dbraw/zinc/85/09/76/906850976.db2.gz ONHURLQBDFNSMP-NWDGAFQWSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001419904781 906853887 /nfs/dbraw/zinc/85/38/87/906853887.db2.gz QIXKUZLEPKARTD-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001420005449 906893385 /nfs/dbraw/zinc/89/33/85/906893385.db2.gz GQCRRDVADIUDFP-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001420012671 906893556 /nfs/dbraw/zinc/89/35/56/906893556.db2.gz KXNFTSAIGZHRIJ-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001420004797 906894733 /nfs/dbraw/zinc/89/47/33/906894733.db2.gz HKDBSEAXNWKBIK-UHFFFAOYSA-N 2 1 298.431 -0.193 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001420004797 906894743 /nfs/dbraw/zinc/89/47/43/906894743.db2.gz HKDBSEAXNWKBIK-UHFFFAOYSA-N 2 1 298.431 -0.193 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC001420009542 906895587 /nfs/dbraw/zinc/89/55/87/906895587.db2.gz CHLJAIBMJLDTAK-KGLIPLIRSA-N 2 1 299.415 -0.282 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC(=O)NC)C1 ZINC001420042499 906905822 /nfs/dbraw/zinc/90/58/22/906905822.db2.gz QESGCKSVKVIKQF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC(=O)NC)C1 ZINC001420042499 906905831 /nfs/dbraw/zinc/90/58/31/906905831.db2.gz QESGCKSVKVIKQF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NC)C1 ZINC001420042499 906905837 /nfs/dbraw/zinc/90/58/37/906905837.db2.gz QESGCKSVKVIKQF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NC)C1 ZINC001420042499 906905848 /nfs/dbraw/zinc/90/58/48/906905848.db2.gz QESGCKSVKVIKQF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001420049726 906911694 /nfs/dbraw/zinc/91/16/94/906911694.db2.gz KWFDGDJAULMPFB-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001420049726 906911703 /nfs/dbraw/zinc/91/17/03/906911703.db2.gz KWFDGDJAULMPFB-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001420119036 906952640 /nfs/dbraw/zinc/95/26/40/906952640.db2.gz ZKYRBNKNYHBIIP-OLZOCXBDSA-N 2 1 295.387 -0.919 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001420122472 906958746 /nfs/dbraw/zinc/95/87/46/906958746.db2.gz HNICUGZYFRQFJE-AGIUHOORSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCC2)C1 ZINC001420208009 907020511 /nfs/dbraw/zinc/02/05/11/907020511.db2.gz BDHQFVQFSLSXKY-UONOGXRCSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCC2)C1 ZINC001420208009 907020532 /nfs/dbraw/zinc/02/05/32/907020532.db2.gz BDHQFVQFSLSXKY-UONOGXRCSA-N 2 1 299.415 -0.426 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)Cn1c[nH+]cc1C ZINC001420237456 907035975 /nfs/dbraw/zinc/03/59/75/907035975.db2.gz DPNUHPRWTKXJIX-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001420241557 907036804 /nfs/dbraw/zinc/03/68/04/907036804.db2.gz IFQZOLOFRCPNDE-MNOVXSKESA-N 2 1 295.387 -0.190 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(CC)CC[NH2+][C@@H]1CCNC1=O ZINC001420246114 907041497 /nfs/dbraw/zinc/04/14/97/907041497.db2.gz RJKPGEHPQUZXMV-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420247318 907045099 /nfs/dbraw/zinc/04/50/99/907045099.db2.gz DPHJQUZPMFWUPJ-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CN1CC[C@@H]([N@H+](C)CCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001420281874 907065725 /nfs/dbraw/zinc/06/57/25/907065725.db2.gz JUESTMBBEMIDHI-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001420281874 907065741 /nfs/dbraw/zinc/06/57/41/907065741.db2.gz JUESTMBBEMIDHI-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@H]([N@H+](C)CCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001420281879 907066631 /nfs/dbraw/zinc/06/66/31/907066631.db2.gz JUESTMBBEMIDHI-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001420281879 907066645 /nfs/dbraw/zinc/06/66/45/907066645.db2.gz JUESTMBBEMIDHI-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001420294032 907079377 /nfs/dbraw/zinc/07/93/77/907079377.db2.gz VREDCRNWFNNVAC-OUAUKWLOSA-N 2 1 270.377 -0.704 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001420313801 907088711 /nfs/dbraw/zinc/08/87/11/907088711.db2.gz PCBXNAONWUEWPR-NEPJUHHUSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001420313801 907088724 /nfs/dbraw/zinc/08/87/24/907088724.db2.gz PCBXNAONWUEWPR-NEPJUHHUSA-N 2 1 294.403 -0.106 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(C)C ZINC001420319202 907095794 /nfs/dbraw/zinc/09/57/94/907095794.db2.gz GTWIIDBZLCBFQK-LLVKDONJSA-N 2 1 295.387 -0.190 20 0 CBADMP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001420326117 907102927 /nfs/dbraw/zinc/10/29/27/907102927.db2.gz XFESPMYBEUFISX-MROQNXINSA-N 2 1 296.415 -0.301 20 0 CBADMP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001420342717 907106829 /nfs/dbraw/zinc/10/68/29/907106829.db2.gz JCYRSFPIVVQQLK-MNOVXSKESA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCN(C)CC(N)=O ZINC001420349781 907115488 /nfs/dbraw/zinc/11/54/88/907115488.db2.gz LEFXZWXAVBQBDP-PHIMTYICSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@@H](C)OC ZINC001420379178 907126483 /nfs/dbraw/zinc/12/64/83/907126483.db2.gz IPOZEUIPFSKPEL-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@@H](C)OC ZINC001420379178 907126491 /nfs/dbraw/zinc/12/64/91/907126491.db2.gz IPOZEUIPFSKPEL-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C[C@@H](C)OC ZINC001420379178 907126499 /nfs/dbraw/zinc/12/64/99/907126499.db2.gz IPOZEUIPFSKPEL-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@@H](C)OC ZINC001420379178 907126507 /nfs/dbraw/zinc/12/65/07/907126507.db2.gz IPOZEUIPFSKPEL-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420373249 907128822 /nfs/dbraw/zinc/12/88/22/907128822.db2.gz RPAJYBXCROECGX-MNOVXSKESA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420373249 907128825 /nfs/dbraw/zinc/12/88/25/907128825.db2.gz RPAJYBXCROECGX-MNOVXSKESA-N 2 1 280.376 -0.639 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@@H]1CCOC1 ZINC001420378692 907129487 /nfs/dbraw/zinc/12/94/87/907129487.db2.gz GJKVHDJPIMLMSN-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@@H]1CCOC1 ZINC001420378692 907129505 /nfs/dbraw/zinc/12/95/05/907129505.db2.gz GJKVHDJPIMLMSN-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C[C@@H]1CCOC1 ZINC001420378692 907129521 /nfs/dbraw/zinc/12/95/21/907129521.db2.gz GJKVHDJPIMLMSN-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C[C@@H]1CCOC1 ZINC001420378692 907129529 /nfs/dbraw/zinc/12/95/29/907129529.db2.gz GJKVHDJPIMLMSN-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)[C@H](C)C(N)=O ZINC001420403484 907146818 /nfs/dbraw/zinc/14/68/18/907146818.db2.gz SYNUVZOHQFVCEF-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)[C@H](C)C(N)=O ZINC001420403484 907146828 /nfs/dbraw/zinc/14/68/28/907146828.db2.gz SYNUVZOHQFVCEF-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1CCNC1=O ZINC001420438976 907159592 /nfs/dbraw/zinc/15/95/92/907159592.db2.gz XNAQBYJBMZWDCO-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC ZINC001420437600 907160649 /nfs/dbraw/zinc/16/06/49/907160649.db2.gz MMRXSRKGVQQBBL-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC ZINC001420437600 907160653 /nfs/dbraw/zinc/16/06/53/907160653.db2.gz MMRXSRKGVQQBBL-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C)C(=O)NC ZINC001420437600 907160657 /nfs/dbraw/zinc/16/06/57/907160657.db2.gz MMRXSRKGVQQBBL-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC ZINC001420437600 907160661 /nfs/dbraw/zinc/16/06/61/907160661.db2.gz MMRXSRKGVQQBBL-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001420448428 907164194 /nfs/dbraw/zinc/16/41/94/907164194.db2.gz MNKLDRSXOFAMIS-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001420448428 907164208 /nfs/dbraw/zinc/16/42/08/907164208.db2.gz MNKLDRSXOFAMIS-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420448428 907164220 /nfs/dbraw/zinc/16/42/20/907164220.db2.gz MNKLDRSXOFAMIS-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420448428 907164229 /nfs/dbraw/zinc/16/42/29/907164229.db2.gz MNKLDRSXOFAMIS-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001420474813 907179687 /nfs/dbraw/zinc/17/96/87/907179687.db2.gz HUKMFBCQHZGJQX-JTQLQIEISA-N 2 1 281.360 -0.449 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001420503192 907187220 /nfs/dbraw/zinc/18/72/20/907187220.db2.gz OXFLCHMSDVWUBB-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001420503192 907187236 /nfs/dbraw/zinc/18/72/36/907187236.db2.gz OXFLCHMSDVWUBB-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420509644 907188787 /nfs/dbraw/zinc/18/87/87/907188787.db2.gz DVOLZKQCBDFTFW-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001420561664 907207260 /nfs/dbraw/zinc/20/72/60/907207260.db2.gz OFNBEHYZGVZJAE-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001420561664 907207275 /nfs/dbraw/zinc/20/72/75/907207275.db2.gz OFNBEHYZGVZJAE-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001420561664 907207291 /nfs/dbraw/zinc/20/72/91/907207291.db2.gz OFNBEHYZGVZJAE-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001420711474 907273353 /nfs/dbraw/zinc/27/33/53/907273353.db2.gz CRYMZRVGUKEBFW-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001420937957 907366066 /nfs/dbraw/zinc/36/60/66/907366066.db2.gz GKIBGBNJELZMEP-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001420962626 907369046 /nfs/dbraw/zinc/36/90/46/907369046.db2.gz SLDTXMRCYUNSAA-LLVKDONJSA-N 2 1 291.355 -0.682 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CCO)CCC1 ZINC001502026007 921319104 /nfs/dbraw/zinc/31/91/04/921319104.db2.gz KIFRVWRKYLZGHN-UHFFFAOYSA-N 2 1 266.345 -0.188 20 0 CBADMP COC[C@@H](C)[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001420985671 907380236 /nfs/dbraw/zinc/38/02/36/907380236.db2.gz YFCGENZZNDDQDR-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP COC[C@H](O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001420996023 907386631 /nfs/dbraw/zinc/38/66/31/907386631.db2.gz SICBUZMRAARPLC-CHWSQXEVSA-N 2 1 299.415 -0.426 20 0 CBADMP CNC(=O)CN1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001421003540 907386692 /nfs/dbraw/zinc/38/66/92/907386692.db2.gz UBTLGLSVRAJDSD-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421125689 907437802 /nfs/dbraw/zinc/43/78/02/907437802.db2.gz LJZFTDHPRSWRNN-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001421232808 907471759 /nfs/dbraw/zinc/47/17/59/907471759.db2.gz BHXCBUMBVUMLIY-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001421232808 907471771 /nfs/dbraw/zinc/47/17/71/907471771.db2.gz BHXCBUMBVUMLIY-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@]1(CNC(=O)Cn2ccnc2)CCC[N@H+](CC(N)=O)C1 ZINC001421291330 907482938 /nfs/dbraw/zinc/48/29/38/907482938.db2.gz CLKZPWFVLSELHZ-CQSZACIVSA-N 2 1 293.371 -0.413 20 0 CBADMP C[C@]1(CNC(=O)Cn2ccnc2)CCC[N@@H+](CC(N)=O)C1 ZINC001421291330 907482946 /nfs/dbraw/zinc/48/29/46/907482946.db2.gz CLKZPWFVLSELHZ-CQSZACIVSA-N 2 1 293.371 -0.413 20 0 CBADMP CN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001421333761 907496361 /nfs/dbraw/zinc/49/63/61/907496361.db2.gz DRKZMKIQTLSTQE-CYBMUJFWSA-N 2 1 296.415 -0.120 20 0 CBADMP CN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001421333761 907496371 /nfs/dbraw/zinc/49/63/71/907496371.db2.gz DRKZMKIQTLSTQE-CYBMUJFWSA-N 2 1 296.415 -0.120 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001421374339 907508883 /nfs/dbraw/zinc/50/88/83/907508883.db2.gz RGSPLOKOYNSHBG-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001421374339 907508892 /nfs/dbraw/zinc/50/88/92/907508892.db2.gz RGSPLOKOYNSHBG-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001421383773 907516177 /nfs/dbraw/zinc/51/61/77/907516177.db2.gz CSIYGLRZSDPOKZ-TZMCWYRMSA-N 2 1 287.404 -0.740 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+](C[C@@H](C)O)C1 ZINC001421383773 907516194 /nfs/dbraw/zinc/51/61/94/907516194.db2.gz CSIYGLRZSDPOKZ-TZMCWYRMSA-N 2 1 287.404 -0.740 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](C[C@@H](C)O)C1 ZINC001421383773 907516206 /nfs/dbraw/zinc/51/62/06/907516206.db2.gz CSIYGLRZSDPOKZ-TZMCWYRMSA-N 2 1 287.404 -0.740 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](CC3CC3)C2)C1 ZINC001421383980 907517042 /nfs/dbraw/zinc/51/70/42/907517042.db2.gz DIEMDDOPPRQIKZ-ZFWWWQNUSA-N 2 1 281.400 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CC3CC3)C2)C1 ZINC001421383980 907517059 /nfs/dbraw/zinc/51/70/59/907517059.db2.gz DIEMDDOPPRQIKZ-ZFWWWQNUSA-N 2 1 281.400 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC3CC3)C2)C1 ZINC001421383980 907517072 /nfs/dbraw/zinc/51/70/72/907517072.db2.gz DIEMDDOPPRQIKZ-ZFWWWQNUSA-N 2 1 281.400 -0.099 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[NH2+]CC(N)=O ZINC001421421360 907537343 /nfs/dbraw/zinc/53/73/43/907537343.db2.gz NQGJKXUUHPHUJA-NEPJUHHUSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001421448810 907551534 /nfs/dbraw/zinc/55/15/34/907551534.db2.gz HVTDYXOBHSCCEC-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@@H](C)C(=O)NC ZINC001421503459 907568970 /nfs/dbraw/zinc/56/89/70/907568970.db2.gz UFBXMCLWYWHJAI-RYUDHWBXSA-N 2 1 286.420 -0.055 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001421531712 907577477 /nfs/dbraw/zinc/57/74/77/907577477.db2.gz XKTYJLOBQWOIJK-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001421571160 907580786 /nfs/dbraw/zinc/58/07/86/907580786.db2.gz CVFDDEMUYYJSQC-BETUJISGSA-N 2 1 296.415 -0.537 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001421571160 907580795 /nfs/dbraw/zinc/58/07/95/907580795.db2.gz CVFDDEMUYYJSQC-BETUJISGSA-N 2 1 296.415 -0.537 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001421571160 907580807 /nfs/dbraw/zinc/58/08/07/907580807.db2.gz CVFDDEMUYYJSQC-BETUJISGSA-N 2 1 296.415 -0.537 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001421574548 907585424 /nfs/dbraw/zinc/58/54/24/907585424.db2.gz PZHGCQZPWDFGLM-TXEJJXNPSA-N 2 1 282.388 -0.798 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001421574548 907585439 /nfs/dbraw/zinc/58/54/39/907585439.db2.gz PZHGCQZPWDFGLM-TXEJJXNPSA-N 2 1 282.388 -0.798 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001421574548 907585453 /nfs/dbraw/zinc/58/54/53/907585453.db2.gz PZHGCQZPWDFGLM-TXEJJXNPSA-N 2 1 282.388 -0.798 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001421631842 907593727 /nfs/dbraw/zinc/59/37/27/907593727.db2.gz BANVVEQXGJVYCA-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cnnn1C ZINC001421673291 907608673 /nfs/dbraw/zinc/60/86/73/907608673.db2.gz GQDOWGFIZDMAGL-YPMHNXCESA-N 2 1 294.403 -0.249 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H]1CN(CCCO)CCO1)C1CCC1 ZINC001421813510 907654128 /nfs/dbraw/zinc/65/41/28/907654128.db2.gz YNHXDXVHZAXADU-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001421847920 907656451 /nfs/dbraw/zinc/65/64/51/907656451.db2.gz SUINRGKJWMJCJN-LBPRGKRZSA-N 2 1 296.415 -0.025 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001421915168 907678934 /nfs/dbraw/zinc/67/89/34/907678934.db2.gz VWICLBLZWACQQH-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001421947620 907685840 /nfs/dbraw/zinc/68/58/40/907685840.db2.gz VFSSHAANCIEVRB-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001421947624 907685882 /nfs/dbraw/zinc/68/58/82/907685882.db2.gz VFSSHAANCIEVRB-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[N@@H+](CC(=O)N1CCC[C@](CO)([NH2+]CCO)C1)C1CCC1 ZINC001421974449 907694034 /nfs/dbraw/zinc/69/40/34/907694034.db2.gz STUASSAPPXMSRW-HNNXBMFYSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)C[NH+]1CCCC1 ZINC001421981821 907698299 /nfs/dbraw/zinc/69/82/99/907698299.db2.gz BRBOELGYHJZXDU-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001421985213 907698343 /nfs/dbraw/zinc/69/83/43/907698343.db2.gz DYIRPZGKMVJWIA-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421992767 907698546 /nfs/dbraw/zinc/69/85/46/907698546.db2.gz PRUFCXUCQJOOBD-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421996820 907699832 /nfs/dbraw/zinc/69/98/32/907699832.db2.gz XESDDAMMNAXMIG-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](O)C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001422040959 907705767 /nfs/dbraw/zinc/70/57/67/907705767.db2.gz GHLDVEKYIRJWCF-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](O)C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001422040959 907705774 /nfs/dbraw/zinc/70/57/74/907705774.db2.gz GHLDVEKYIRJWCF-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]([NH2+]CC(N)=O)C(C)C ZINC001422104209 907717287 /nfs/dbraw/zinc/71/72/87/907717287.db2.gz JJKWAJMACNFVAZ-LLVKDONJSA-N 2 1 281.360 -0.593 20 0 CBADMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001422111506 907720164 /nfs/dbraw/zinc/72/01/64/907720164.db2.gz XOSXMDZWSCYPMH-NEPJUHHUSA-N 2 1 284.404 -0.456 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001422198831 907743052 /nfs/dbraw/zinc/74/30/52/907743052.db2.gz LNBGGDXUWQDUTO-XQQFMLRXSA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001422198831 907743063 /nfs/dbraw/zinc/74/30/63/907743063.db2.gz LNBGGDXUWQDUTO-XQQFMLRXSA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001422198831 907743069 /nfs/dbraw/zinc/74/30/69/907743069.db2.gz LNBGGDXUWQDUTO-XQQFMLRXSA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001422198831 907743080 /nfs/dbraw/zinc/74/30/80/907743080.db2.gz LNBGGDXUWQDUTO-XQQFMLRXSA-N 2 1 298.431 -0.019 20 0 CBADMP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001422254917 907761349 /nfs/dbraw/zinc/76/13/49/907761349.db2.gz IJIWHOQBSWGWOT-MCIGGMRASA-N 2 1 282.388 -0.689 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NC ZINC001422419942 907849306 /nfs/dbraw/zinc/84/93/06/907849306.db2.gz OSBOAIBZHJACPO-WDEREUQCSA-N 2 1 272.393 -0.443 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001422416215 907849884 /nfs/dbraw/zinc/84/98/84/907849884.db2.gz LZIHPUYUMHESEW-GFCCVEGCSA-N 2 1 284.360 -0.419 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001422416215 907849900 /nfs/dbraw/zinc/84/99/00/907849900.db2.gz LZIHPUYUMHESEW-GFCCVEGCSA-N 2 1 284.360 -0.419 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001422436821 907856215 /nfs/dbraw/zinc/85/62/15/907856215.db2.gz KEUSATFENWAUOO-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001422503905 907897151 /nfs/dbraw/zinc/89/71/51/907897151.db2.gz DEVZRRQAFUHEAV-NXEZZACHSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@H](C[NH2+][C@H](C)C(=O)NC1CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001422536510 907915027 /nfs/dbraw/zinc/91/50/27/907915027.db2.gz UPQLFUJWIWRAQN-NQBHXWOUSA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001422557077 907928017 /nfs/dbraw/zinc/92/80/17/907928017.db2.gz AFKIJKYFLGEDGX-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP CCN1CC[C@@H]([N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001422574743 907932181 /nfs/dbraw/zinc/93/21/81/907932181.db2.gz ZKPDWCLRPUAJDA-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H]([NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C(N)=O ZINC001422617395 907944594 /nfs/dbraw/zinc/94/45/94/907944594.db2.gz KABDDUUQZLDKBH-MNOVXSKESA-N 2 1 272.393 -0.315 20 0 CBADMP CC(C)CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422616481 907944833 /nfs/dbraw/zinc/94/48/33/907944833.db2.gz OVGGQJSAIZZPCN-OLZOCXBDSA-N 2 1 298.431 -0.195 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001422629883 907954349 /nfs/dbraw/zinc/95/43/49/907954349.db2.gz HMOUAQVMXPNZLQ-RYUDHWBXSA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001422629883 907954360 /nfs/dbraw/zinc/95/43/60/907954360.db2.gz HMOUAQVMXPNZLQ-RYUDHWBXSA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1nncc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001422635022 907959209 /nfs/dbraw/zinc/95/92/09/907959209.db2.gz ZVBXLLAVQZGODW-AAEUAGOBSA-N 2 1 294.403 -0.014 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001422694679 907977303 /nfs/dbraw/zinc/97/73/03/907977303.db2.gz BZQMGENUGSHMQY-TUAOUCFPSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001422827435 908025924 /nfs/dbraw/zinc/02/59/24/908025924.db2.gz IKOQFOMKNAXBAS-LPWJVIDDSA-N 2 1 294.399 -0.750 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CCC1 ZINC001422829441 908029747 /nfs/dbraw/zinc/02/97/47/908029747.db2.gz HWFOQXSVQLHXRW-XYYAHUGASA-N 2 1 281.400 -0.243 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCO)C1 ZINC001422846043 908033969 /nfs/dbraw/zinc/03/39/69/908033969.db2.gz AYFPNZHECRCLLY-QWHCGFSZSA-N 2 1 296.371 -0.611 20 0 CBADMP CCNC(=O)CN(C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001422866561 908038568 /nfs/dbraw/zinc/03/85/68/908038568.db2.gz IZFLKHUUAMUODU-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001422866561 908038592 /nfs/dbraw/zinc/03/85/92/908038592.db2.gz IZFLKHUUAMUODU-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001422866561 908038607 /nfs/dbraw/zinc/03/86/07/908038607.db2.gz IZFLKHUUAMUODU-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001422866561 908038622 /nfs/dbraw/zinc/03/86/22/908038622.db2.gz IZFLKHUUAMUODU-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001422889661 908049901 /nfs/dbraw/zinc/04/99/01/908049901.db2.gz VJJWAPNLYDFYTE-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001422925344 908059440 /nfs/dbraw/zinc/05/94/40/908059440.db2.gz ABUBEXBZLTUZHS-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001422925344 908059449 /nfs/dbraw/zinc/05/94/49/908059449.db2.gz ABUBEXBZLTUZHS-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001423039959 908081782 /nfs/dbraw/zinc/08/17/82/908081782.db2.gz GXJWDXCSKRTQHL-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001423115867 908113959 /nfs/dbraw/zinc/11/39/59/908113959.db2.gz PBVIRJJWUPUIOK-LBPRGKRZSA-N 2 1 297.403 -0.846 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001423115867 908113975 /nfs/dbraw/zinc/11/39/75/908113975.db2.gz PBVIRJJWUPUIOK-LBPRGKRZSA-N 2 1 297.403 -0.846 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001423115661 908114937 /nfs/dbraw/zinc/11/49/37/908114937.db2.gz PPKZJOIMDVMVET-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001423115661 908114944 /nfs/dbraw/zinc/11/49/44/908114944.db2.gz PPKZJOIMDVMVET-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001423115661 908114953 /nfs/dbraw/zinc/11/49/53/908114953.db2.gz PPKZJOIMDVMVET-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001423115661 908114962 /nfs/dbraw/zinc/11/49/62/908114962.db2.gz PPKZJOIMDVMVET-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001423171891 908124968 /nfs/dbraw/zinc/12/49/68/908124968.db2.gz VKPBCOCDXANVJT-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001423259930 908178850 /nfs/dbraw/zinc/17/88/50/908178850.db2.gz QDCRZOMJYLTGPW-LBPRGKRZSA-N 2 1 295.387 -0.697 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001423260229 908179254 /nfs/dbraw/zinc/17/92/54/908179254.db2.gz RHHAALUIHZPJBG-SECBINFHSA-N 2 1 287.389 -0.944 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC(=O)N(C)C)CC1 ZINC001423287774 908191451 /nfs/dbraw/zinc/19/14/51/908191451.db2.gz FAZITZVDYNNFAZ-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(N)=O)C2 ZINC001423356576 908212754 /nfs/dbraw/zinc/21/27/54/908212754.db2.gz ZQNOSQZULZWGDQ-HNNXBMFYSA-N 2 1 296.415 -0.262 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC001423356576 908212768 /nfs/dbraw/zinc/21/27/68/908212768.db2.gz ZQNOSQZULZWGDQ-HNNXBMFYSA-N 2 1 296.415 -0.262 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001423481722 908250791 /nfs/dbraw/zinc/25/07/91/908250791.db2.gz MFQXVQDJTSMDHI-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423532212 908275457 /nfs/dbraw/zinc/27/54/57/908275457.db2.gz JHZLMQNWAVFXMM-CYBMUJFWSA-N 2 1 299.415 -0.520 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001423586447 908284997 /nfs/dbraw/zinc/28/49/97/908284997.db2.gz NWTXZFJQEWQGGN-BXUZGUMPSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001423586447 908285015 /nfs/dbraw/zinc/28/50/15/908285015.db2.gz NWTXZFJQEWQGGN-BXUZGUMPSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001423586447 908285033 /nfs/dbraw/zinc/28/50/33/908285033.db2.gz NWTXZFJQEWQGGN-BXUZGUMPSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001423586447 908285045 /nfs/dbraw/zinc/28/50/45/908285045.db2.gz NWTXZFJQEWQGGN-BXUZGUMPSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001423592100 908289409 /nfs/dbraw/zinc/28/94/09/908289409.db2.gz JICLSXRFLGFEKR-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@@H](C)O ZINC001423641218 908299779 /nfs/dbraw/zinc/29/97/79/908299779.db2.gz LAWQJEKCFMELJD-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP COCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@@H](C)O ZINC001423641218 908299796 /nfs/dbraw/zinc/29/97/96/908299796.db2.gz LAWQJEKCFMELJD-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP COCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@@H](C)O ZINC001423641218 908299811 /nfs/dbraw/zinc/29/98/11/908299811.db2.gz LAWQJEKCFMELJD-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001423997520 908379793 /nfs/dbraw/zinc/37/97/93/908379793.db2.gz MLVLLARYUFLWCL-UPJWGTAASA-N 2 1 296.415 -0.409 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001423997520 908379808 /nfs/dbraw/zinc/37/98/08/908379808.db2.gz MLVLLARYUFLWCL-UPJWGTAASA-N 2 1 296.415 -0.409 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001423997520 908379824 /nfs/dbraw/zinc/37/98/24/908379824.db2.gz MLVLLARYUFLWCL-UPJWGTAASA-N 2 1 296.415 -0.409 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001424019731 908386079 /nfs/dbraw/zinc/38/60/79/908386079.db2.gz JTLYJDGZKLSKAB-AWEZNQCLSA-N 2 1 296.371 -0.873 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001424019731 908386092 /nfs/dbraw/zinc/38/60/92/908386092.db2.gz JTLYJDGZKLSKAB-AWEZNQCLSA-N 2 1 296.371 -0.873 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)CC1 ZINC001424011091 908388535 /nfs/dbraw/zinc/38/85/35/908388535.db2.gz RASVAJSOBBQURH-OAHLLOKOSA-N 2 1 299.415 -0.736 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001424214397 908424243 /nfs/dbraw/zinc/42/42/43/908424243.db2.gz IPLMJDJNPJPGGX-LBPRGKRZSA-N 2 1 285.388 -0.672 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001424214397 908424248 /nfs/dbraw/zinc/42/42/48/908424248.db2.gz IPLMJDJNPJPGGX-LBPRGKRZSA-N 2 1 285.388 -0.672 20 0 CBADMP CN(CCC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCC[NH+]1C ZINC001424309118 908442030 /nfs/dbraw/zinc/44/20/30/908442030.db2.gz NDBMJTCHEYCSPJ-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CN(CCC[NH+](C)CC(N)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001424309118 908442037 /nfs/dbraw/zinc/44/20/37/908442037.db2.gz NDBMJTCHEYCSPJ-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CN(CCC[NH+](C)CC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001424309118 908442052 /nfs/dbraw/zinc/44/20/52/908442052.db2.gz NDBMJTCHEYCSPJ-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CC(C)[C@H](C(=O)N(C)CCC[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001424306521 908442120 /nfs/dbraw/zinc/44/21/20/908442120.db2.gz NBAJQMWUWGFLHS-CYBMUJFWSA-N 2 1 286.420 -0.162 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001424492014 908463668 /nfs/dbraw/zinc/46/36/68/908463668.db2.gz UMHIVWDNADBXQP-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001424615137 908479559 /nfs/dbraw/zinc/47/95/59/908479559.db2.gz HDTHTJLWARXTKV-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001424717765 908489022 /nfs/dbraw/zinc/48/90/22/908489022.db2.gz WWCCTTCQGIFIGQ-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001424717765 908489028 /nfs/dbraw/zinc/48/90/28/908489028.db2.gz WWCCTTCQGIFIGQ-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001424702534 908489379 /nfs/dbraw/zinc/48/93/79/908489379.db2.gz JYWQLRUWQXPSPG-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001424702534 908489390 /nfs/dbraw/zinc/48/93/90/908489390.db2.gz JYWQLRUWQXPSPG-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)[C@H](C)C(N)=O ZINC001425009057 908547219 /nfs/dbraw/zinc/54/72/19/908547219.db2.gz ZQWKAISWJBDSCD-GHMZBOCLSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@@H+](C)[C@H](C)C(N)=O ZINC001425009057 908547228 /nfs/dbraw/zinc/54/72/28/908547228.db2.gz ZQWKAISWJBDSCD-GHMZBOCLSA-N 2 1 284.404 -0.362 20 0 CBADMP COC[C@H](O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001425246342 908590396 /nfs/dbraw/zinc/59/03/96/908590396.db2.gz UZARUBVOLWZEBD-MRVWCRGKSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@H](NC(=O)CC[NH+]1CCOCC1)C1C[NH+](CCO)C1 ZINC001425251236 908594191 /nfs/dbraw/zinc/59/41/91/908594191.db2.gz IMYSRHLSCVMQOF-LBPRGKRZSA-N 2 1 285.388 -0.863 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001425412670 908639915 /nfs/dbraw/zinc/63/99/15/908639915.db2.gz AFHSNOFGPPGBIZ-AVGNSLFASA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001425573469 908676621 /nfs/dbraw/zinc/67/66/21/908676621.db2.gz HBIYWXFVCDQLTH-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001425678038 908689638 /nfs/dbraw/zinc/68/96/38/908689638.db2.gz CWJCBGMSHVHZTI-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC1CC[NH+](C)CC1 ZINC001426474207 908872114 /nfs/dbraw/zinc/87/21/14/908872114.db2.gz MDENRMDOUHKLNK-LBPRGKRZSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC1CC[NH+](C)CC1 ZINC001426474207 908872130 /nfs/dbraw/zinc/87/21/30/908872130.db2.gz MDENRMDOUHKLNK-LBPRGKRZSA-N 2 1 284.404 -0.211 20 0 CBADMP CC[C@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001429382191 909235647 /nfs/dbraw/zinc/23/56/47/909235647.db2.gz GHMZWRRSHDORQN-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001505845121 921485191 /nfs/dbraw/zinc/48/51/91/921485191.db2.gz ABMUMAFPRYINOU-GFCCVEGCSA-N 2 1 298.431 -0.112 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O ZINC001505824596 921481141 /nfs/dbraw/zinc/48/11/41/921481141.db2.gz VXFISISFBJXDJQ-UHFFFAOYSA-N 2 1 295.387 -0.249 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001505921791 921501491 /nfs/dbraw/zinc/50/14/91/921501491.db2.gz ACTWABBFDSUDPL-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001505921791 921501497 /nfs/dbraw/zinc/50/14/97/921501497.db2.gz ACTWABBFDSUDPL-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001505921791 921501504 /nfs/dbraw/zinc/50/15/04/921501504.db2.gz ACTWABBFDSUDPL-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001505921791 921501508 /nfs/dbraw/zinc/50/15/08/921501508.db2.gz ACTWABBFDSUDPL-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001432244075 909597554 /nfs/dbraw/zinc/59/75/54/909597554.db2.gz PTPUXFPPFYXFFA-DGCLKSJQSA-N 2 1 296.415 -0.395 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+](C)CCCO)C1 ZINC001506060832 921532116 /nfs/dbraw/zinc/53/21/16/921532116.db2.gz JNVZAISVWHXFBK-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+](C)CCCO)C1 ZINC001506060832 921532122 /nfs/dbraw/zinc/53/21/22/921532122.db2.gz JNVZAISVWHXFBK-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCCO)C1 ZINC001506060832 921532132 /nfs/dbraw/zinc/53/21/32/921532132.db2.gz JNVZAISVWHXFBK-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCCO)C1 ZINC001506060832 921532145 /nfs/dbraw/zinc/53/21/45/921532145.db2.gz JNVZAISVWHXFBK-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001506056532 921532750 /nfs/dbraw/zinc/53/27/50/921532750.db2.gz IWKBEVKYOMIWMV-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001506056532 921532758 /nfs/dbraw/zinc/53/27/58/921532758.db2.gz IWKBEVKYOMIWMV-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CO[C@H](C)CN1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001506141535 921554381 /nfs/dbraw/zinc/55/43/81/921554381.db2.gz YFKYFHAJQJKYDN-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP Nc1nc(N)[nH+]c(N2CCC([NH2+]C3CCOCC3)CC2)n1 ZINC001434450720 910191416 /nfs/dbraw/zinc/19/14/16/910191416.db2.gz VEFVADUGWCIXEZ-UHFFFAOYSA-N 2 1 293.375 -0.227 20 0 CBADMP Cn1cncc1CCC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001434473906 910211939 /nfs/dbraw/zinc/21/19/39/910211939.db2.gz RCWMLOMFIQVJRU-CHWSQXEVSA-N 2 1 278.356 -0.058 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1CC ZINC001436447060 910443511 /nfs/dbraw/zinc/44/35/11/910443511.db2.gz SADSZWRVDCRNQM-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1CC ZINC001436447060 910443475 /nfs/dbraw/zinc/44/34/75/910443475.db2.gz SADSZWRVDCRNQM-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1CC ZINC001436447060 910443499 /nfs/dbraw/zinc/44/34/99/910443499.db2.gz SADSZWRVDCRNQM-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1CC ZINC001436447060 910443526 /nfs/dbraw/zinc/44/35/26/910443526.db2.gz SADSZWRVDCRNQM-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001436487061 910450644 /nfs/dbraw/zinc/45/06/44/910450644.db2.gz AWDCYMWCPVJBTK-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001436487061 910450653 /nfs/dbraw/zinc/45/06/53/910450653.db2.gz AWDCYMWCPVJBTK-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001436676139 910460587 /nfs/dbraw/zinc/46/05/87/910460587.db2.gz XPIPAYLGEBQMQM-NSHDSACASA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436729791 910479243 /nfs/dbraw/zinc/47/92/43/910479243.db2.gz FOTVIVMGSGYSEM-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436729791 910479254 /nfs/dbraw/zinc/47/92/54/910479254.db2.gz FOTVIVMGSGYSEM-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001436925883 910508323 /nfs/dbraw/zinc/50/83/23/910508323.db2.gz JWKNVBVJLZHRGK-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001436977262 910523421 /nfs/dbraw/zinc/52/34/21/910523421.db2.gz KBIFQOFHJUZOAA-TXEJJXNPSA-N 2 1 284.404 -0.301 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001437006837 910526069 /nfs/dbraw/zinc/52/60/69/910526069.db2.gz JZCNLMIKUNWXBW-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001437006837 910526084 /nfs/dbraw/zinc/52/60/84/910526084.db2.gz JZCNLMIKUNWXBW-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001437006837 910526096 /nfs/dbraw/zinc/52/60/96/910526096.db2.gz JZCNLMIKUNWXBW-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001437006837 910526107 /nfs/dbraw/zinc/52/61/07/910526107.db2.gz JZCNLMIKUNWXBW-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCN1CCNC1=O ZINC001437191620 910579218 /nfs/dbraw/zinc/57/92/18/910579218.db2.gz XJAKUPKUYOSPBB-NWDGAFQWSA-N 2 1 297.403 -0.800 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccnn1C ZINC001437258404 910600796 /nfs/dbraw/zinc/60/07/96/910600796.db2.gz HHGCCHIVJQWGHF-NEPJUHHUSA-N 2 1 279.388 -0.034 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001437421444 910631197 /nfs/dbraw/zinc/63/11/97/910631197.db2.gz IWQJHUWVQGEHRU-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001437422082 910631739 /nfs/dbraw/zinc/63/17/39/910631739.db2.gz LMWSBAPKZNPUQD-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@H](C[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1)OC ZINC001437447941 910644472 /nfs/dbraw/zinc/64/44/72/910644472.db2.gz IEJRROJEDURRIJ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[C@H](C[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1)OC ZINC001437447941 910644476 /nfs/dbraw/zinc/64/44/76/910644476.db2.gz IEJRROJEDURRIJ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[C@H](C[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1)OC ZINC001437447941 910644484 /nfs/dbraw/zinc/64/44/84/910644484.db2.gz IEJRROJEDURRIJ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[C@H](C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1)OC ZINC001437447941 910644488 /nfs/dbraw/zinc/64/44/88/910644488.db2.gz IEJRROJEDURRIJ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001437508497 910664854 /nfs/dbraw/zinc/66/48/54/910664854.db2.gz MPKWMNCCENALPV-SRVKXCTJSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001437508497 910664869 /nfs/dbraw/zinc/66/48/69/910664869.db2.gz MPKWMNCCENALPV-SRVKXCTJSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001437508497 910664877 /nfs/dbraw/zinc/66/48/77/910664877.db2.gz MPKWMNCCENALPV-SRVKXCTJSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001437508497 910664894 /nfs/dbraw/zinc/66/48/94/910664894.db2.gz MPKWMNCCENALPV-SRVKXCTJSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@@H](C)O ZINC001437592986 910692621 /nfs/dbraw/zinc/69/26/21/910692621.db2.gz UOXXSCXUFDTTCS-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@@H](C)O ZINC001437592986 910692636 /nfs/dbraw/zinc/69/26/36/910692636.db2.gz UOXXSCXUFDTTCS-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C[C@@H](C)O ZINC001437592986 910692649 /nfs/dbraw/zinc/69/26/49/910692649.db2.gz UOXXSCXUFDTTCS-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@@H](C)O ZINC001437592986 910692664 /nfs/dbraw/zinc/69/26/64/910692664.db2.gz UOXXSCXUFDTTCS-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](C)C(N)=O ZINC001437618766 910703004 /nfs/dbraw/zinc/70/30/04/910703004.db2.gz IBEPMRXSANHOHI-NWDGAFQWSA-N 2 1 286.420 -0.116 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](C)C(N)=O ZINC001437618766 910703023 /nfs/dbraw/zinc/70/30/23/910703023.db2.gz IBEPMRXSANHOHI-NWDGAFQWSA-N 2 1 286.420 -0.116 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NCC ZINC001437768025 910738818 /nfs/dbraw/zinc/73/88/18/910738818.db2.gz MTARUCVANSXRQM-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NCC ZINC001437768025 910738833 /nfs/dbraw/zinc/73/88/33/910738833.db2.gz MTARUCVANSXRQM-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NCC ZINC001437768025 910738846 /nfs/dbraw/zinc/73/88/46/910738846.db2.gz MTARUCVANSXRQM-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NCC ZINC001437768025 910738856 /nfs/dbraw/zinc/73/88/56/910738856.db2.gz MTARUCVANSXRQM-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@H](C(N)=O)[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001437803956 910749338 /nfs/dbraw/zinc/74/93/38/910749338.db2.gz OHHIZPFTOXEASX-ZYHUDNBSSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001437803956 910749351 /nfs/dbraw/zinc/74/93/51/910749351.db2.gz OHHIZPFTOXEASX-ZYHUDNBSSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001437803956 910749366 /nfs/dbraw/zinc/74/93/66/910749366.db2.gz OHHIZPFTOXEASX-ZYHUDNBSSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001437803956 910749387 /nfs/dbraw/zinc/74/93/87/910749387.db2.gz OHHIZPFTOXEASX-ZYHUDNBSSA-N 2 1 282.388 -0.465 20 0 CBADMP C[NH+](CC(=O)N1CC[C@H](C[N@H+](C)CC(N)=O)C1)C1CCC1 ZINC001437976875 910781673 /nfs/dbraw/zinc/78/16/73/910781673.db2.gz NAMINDLSWDRIFB-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001437976875 910781690 /nfs/dbraw/zinc/78/16/90/910781690.db2.gz NAMINDLSWDRIFB-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001437976875 910781694 /nfs/dbraw/zinc/78/16/94/910781694.db2.gz NAMINDLSWDRIFB-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001437952040 910786016 /nfs/dbraw/zinc/78/60/16/910786016.db2.gz YYWZOIYQJDZDMF-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001437952040 910786031 /nfs/dbraw/zinc/78/60/31/910786031.db2.gz YYWZOIYQJDZDMF-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001437952040 910786042 /nfs/dbraw/zinc/78/60/42/910786042.db2.gz YYWZOIYQJDZDMF-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001437983773 910786270 /nfs/dbraw/zinc/78/62/70/910786270.db2.gz ANTJUYSGVRBHKA-LBPRGKRZSA-N 2 1 284.404 -0.406 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001438209715 910845026 /nfs/dbraw/zinc/84/50/26/910845026.db2.gz OKNOCWXPLOUQIV-TUAOUCFPSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001438209715 910845048 /nfs/dbraw/zinc/84/50/48/910845048.db2.gz OKNOCWXPLOUQIV-TUAOUCFPSA-N 2 1 284.404 -0.348 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001438245277 910850689 /nfs/dbraw/zinc/85/06/89/910850689.db2.gz UPNONHLKJIQWCA-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001438245273 910853166 /nfs/dbraw/zinc/85/31/66/910853166.db2.gz UPNONHLKJIQWCA-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001438269066 910858729 /nfs/dbraw/zinc/85/87/29/910858729.db2.gz SOKBGLVEFPCWOZ-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001438269066 910858742 /nfs/dbraw/zinc/85/87/42/910858742.db2.gz SOKBGLVEFPCWOZ-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001438292644 910866581 /nfs/dbraw/zinc/86/65/81/910866581.db2.gz YRJCIFSLOKJYSF-AAEUAGOBSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001438292644 910866589 /nfs/dbraw/zinc/86/65/89/910866589.db2.gz YRJCIFSLOKJYSF-AAEUAGOBSA-N 2 1 294.403 -0.106 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001438718511 910962667 /nfs/dbraw/zinc/96/26/67/910962667.db2.gz YHVVGDIHMOHSHC-NEPJUHHUSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001438718513 910964502 /nfs/dbraw/zinc/96/45/02/910964502.db2.gz YHVVGDIHMOHSHC-NWDGAFQWSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001438718517 910964746 /nfs/dbraw/zinc/96/47/46/910964746.db2.gz YHVVGDIHMOHSHC-RYUDHWBXSA-N 2 1 286.420 -0.102 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001438935251 911005318 /nfs/dbraw/zinc/00/53/18/911005318.db2.gz BMPFGOLJTZRCLO-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001438935251 911005332 /nfs/dbraw/zinc/00/53/32/911005332.db2.gz BMPFGOLJTZRCLO-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001439017462 911056109 /nfs/dbraw/zinc/05/61/09/911056109.db2.gz GBRJYNVOXSVMHV-RYUDHWBXSA-N 2 1 289.420 -0.588 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nncs2)C1 ZINC001439048033 911072567 /nfs/dbraw/zinc/07/25/67/911072567.db2.gz TWEMELHJNUZBMF-VHSXEESVSA-N 2 1 299.400 -0.944 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nncs2)C1 ZINC001439048033 911072583 /nfs/dbraw/zinc/07/25/83/911072583.db2.gz TWEMELHJNUZBMF-VHSXEESVSA-N 2 1 299.400 -0.944 20 0 CBADMP CC[C@@H]([NH2+]CCN(CC)C(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001439078718 911089288 /nfs/dbraw/zinc/08/92/88/911089288.db2.gz OFCNJGMQRLUBFB-GFCCVEGCSA-N 2 1 295.387 -0.106 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001506885053 921632958 /nfs/dbraw/zinc/63/29/58/921632958.db2.gz JFDQVKBIFKIUPB-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001439152332 911118363 /nfs/dbraw/zinc/11/83/63/911118363.db2.gz HWVDFQQKUYJVNP-VXGBXAGGSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001439220125 911144502 /nfs/dbraw/zinc/14/45/02/911144502.db2.gz GGAAAMLQIXVMBT-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001439244052 911153363 /nfs/dbraw/zinc/15/33/63/911153363.db2.gz QRNKTDMSQMOQHL-AVGNSLFASA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001439269221 911159067 /nfs/dbraw/zinc/15/90/67/911159067.db2.gz RHKPEDXRRMQGTE-NSHDSACASA-N 2 1 292.387 -0.495 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001506901723 921640360 /nfs/dbraw/zinc/64/03/60/921640360.db2.gz GZFQRIUPRJPLLK-AVGNSLFASA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H](C[N@@H+](C)CCO)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001439329077 911181719 /nfs/dbraw/zinc/18/17/19/911181719.db2.gz SIMPVOBSSRWUDR-LBPRGKRZSA-N 2 1 297.403 -0.513 20 0 CBADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001439376643 911193201 /nfs/dbraw/zinc/19/32/01/911193201.db2.gz AVBFQDAEHURKMM-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001439376643 911193206 /nfs/dbraw/zinc/19/32/06/911193206.db2.gz AVBFQDAEHURKMM-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001439404141 911206193 /nfs/dbraw/zinc/20/61/93/911206193.db2.gz FPBSZXPIPIFWKX-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001439404141 911206217 /nfs/dbraw/zinc/20/62/17/911206217.db2.gz FPBSZXPIPIFWKX-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001439638612 911264505 /nfs/dbraw/zinc/26/45/05/911264505.db2.gz XVRXLHLBSHYGIJ-GHMZBOCLSA-N 2 1 280.372 -0.793 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001439889411 911304486 /nfs/dbraw/zinc/30/44/86/911304486.db2.gz LPCRNCXLXJPSMO-HNNXBMFYSA-N 2 1 296.415 -0.216 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001439872615 911305697 /nfs/dbraw/zinc/30/56/97/911305697.db2.gz MZTRUICWHDOPTQ-SWLSCSKDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001439872615 911305717 /nfs/dbraw/zinc/30/57/17/911305717.db2.gz MZTRUICWHDOPTQ-SWLSCSKDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001439872615 911305738 /nfs/dbraw/zinc/30/57/38/911305738.db2.gz MZTRUICWHDOPTQ-SWLSCSKDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001439872615 911305758 /nfs/dbraw/zinc/30/57/58/911305758.db2.gz MZTRUICWHDOPTQ-SWLSCSKDSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001439905155 911312848 /nfs/dbraw/zinc/31/28/48/911312848.db2.gz WWGKDYLJCWZMGU-BXUZGUMPSA-N 2 1 282.388 -0.606 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001439991646 911330567 /nfs/dbraw/zinc/33/05/67/911330567.db2.gz QULLJQVZJVOYJV-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+](CC(=O)NC[C@@]1(O)CC[NH+](CCF)C1)C1CCC1 ZINC001439992585 911334567 /nfs/dbraw/zinc/33/45/67/911334567.db2.gz UHVKZOFKKPOANS-AWEZNQCLSA-N 2 1 287.379 -0.007 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@]1(O)CC[NH+](CCF)C1)C1CCC1 ZINC001439992585 911334581 /nfs/dbraw/zinc/33/45/81/911334581.db2.gz UHVKZOFKKPOANS-AWEZNQCLSA-N 2 1 287.379 -0.007 20 0 CBADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@H+](CCF)C1)C1CCC1 ZINC001439992585 911334602 /nfs/dbraw/zinc/33/46/02/911334602.db2.gz UHVKZOFKKPOANS-AWEZNQCLSA-N 2 1 287.379 -0.007 20 0 CBADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1)C1CCC1 ZINC001439992585 911334621 /nfs/dbraw/zinc/33/46/21/911334621.db2.gz UHVKZOFKKPOANS-AWEZNQCLSA-N 2 1 287.379 -0.007 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@]2(O)CC[NH+](CCF)C2)C1 ZINC001440010170 911341774 /nfs/dbraw/zinc/34/17/74/911341774.db2.gz GHRFNYSXFYQIEG-TZMCWYRMSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CC[NH+](CCF)C2)C1 ZINC001440010170 911341780 /nfs/dbraw/zinc/34/17/80/911341780.db2.gz GHRFNYSXFYQIEG-TZMCWYRMSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@H+](CCF)C2)C1 ZINC001440010170 911341801 /nfs/dbraw/zinc/34/18/01/911341801.db2.gz GHRFNYSXFYQIEG-TZMCWYRMSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)C1 ZINC001440010170 911341822 /nfs/dbraw/zinc/34/18/22/911341822.db2.gz GHRFNYSXFYQIEG-TZMCWYRMSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NC[C@]2(O)CC[NH+](CCF)C2)C1 ZINC001440010161 911343528 /nfs/dbraw/zinc/34/35/28/911343528.db2.gz GHRFNYSXFYQIEG-GXTWGEPZSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CC[NH+](CCF)C2)C1 ZINC001440010161 911343548 /nfs/dbraw/zinc/34/35/48/911343548.db2.gz GHRFNYSXFYQIEG-GXTWGEPZSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@H+](CCF)C2)C1 ZINC001440010161 911343571 /nfs/dbraw/zinc/34/35/71/911343571.db2.gz GHRFNYSXFYQIEG-GXTWGEPZSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)C1 ZINC001440010161 911343590 /nfs/dbraw/zinc/34/35/90/911343590.db2.gz GHRFNYSXFYQIEG-GXTWGEPZSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](CC3CC3)C2)CC[N@@H+]1C ZINC001440057666 911368640 /nfs/dbraw/zinc/36/86/40/911368640.db2.gz RGOZLMKXHZYRER-DGCLKSJQSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](CC3CC3)C2)CC[N@H+]1C ZINC001440057666 911368658 /nfs/dbraw/zinc/36/86/58/911368658.db2.gz RGOZLMKXHZYRER-DGCLKSJQSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001440374920 911441211 /nfs/dbraw/zinc/44/12/11/911441211.db2.gz LBGIJHHLJQGUML-GXTWGEPZSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001440408004 911447672 /nfs/dbraw/zinc/44/76/72/911447672.db2.gz SNIGVGRPDXRRJG-YNEHKIRRSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001440466594 911457958 /nfs/dbraw/zinc/45/79/58/911457958.db2.gz DHDQKPAZRHWZGZ-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001440561110 911470188 /nfs/dbraw/zinc/47/01/88/911470188.db2.gz SPSIHRLJAUDREP-HNNXBMFYSA-N 2 1 299.415 -0.328 20 0 CBADMP C[C@H](O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001440578974 911475675 /nfs/dbraw/zinc/47/56/75/911475675.db2.gz XOMOCODSBFVSGR-QWHCGFSZSA-N 2 1 299.415 -0.426 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001441005371 911579544 /nfs/dbraw/zinc/57/95/44/911579544.db2.gz AQLDCQFFBIVUHX-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001441005371 911579564 /nfs/dbraw/zinc/57/95/64/911579564.db2.gz AQLDCQFFBIVUHX-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441005371 911579582 /nfs/dbraw/zinc/57/95/82/911579582.db2.gz AQLDCQFFBIVUHX-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441005371 911579599 /nfs/dbraw/zinc/57/95/99/911579599.db2.gz AQLDCQFFBIVUHX-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001441283482 911639191 /nfs/dbraw/zinc/63/91/91/911639191.db2.gz OUIWMPVZMAMOBI-XDQVBPFNSA-N 2 1 299.415 -0.761 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001441435419 911668650 /nfs/dbraw/zinc/66/86/50/911668650.db2.gz GWHMUWYFLILHIH-BJDJZHNGSA-N 2 1 282.388 -0.691 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001441435428 911669066 /nfs/dbraw/zinc/66/90/66/911669066.db2.gz GWHMUWYFLILHIH-USZNOCQGSA-N 2 1 282.388 -0.691 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001441533898 911697890 /nfs/dbraw/zinc/69/78/90/911697890.db2.gz ZQUVMHZUEWQULK-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001441657965 911726840 /nfs/dbraw/zinc/72/68/40/911726840.db2.gz YOWBYRQADMFNJC-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1)C1CCC1 ZINC001441716808 911762418 /nfs/dbraw/zinc/76/24/18/911762418.db2.gz SYBFUPHDFNLJMC-QWHCGFSZSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCCO)C1 ZINC001507158397 921692730 /nfs/dbraw/zinc/69/27/30/921692730.db2.gz ANFODUGBBNORHU-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCCO)C1 ZINC001507158397 921692737 /nfs/dbraw/zinc/69/27/37/921692737.db2.gz ANFODUGBBNORHU-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccnn1C ZINC001441788961 911807006 /nfs/dbraw/zinc/80/70/06/911807006.db2.gz NQIZCEWLEXADAO-YPMHNXCESA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccnn1C ZINC001441788961 911807009 /nfs/dbraw/zinc/80/70/09/911807009.db2.gz NQIZCEWLEXADAO-YPMHNXCESA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccnn1C ZINC001441788811 911808889 /nfs/dbraw/zinc/80/88/89/911808889.db2.gz NQIZCEWLEXADAO-DGCLKSJQSA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccnn1C ZINC001441788811 911808896 /nfs/dbraw/zinc/80/88/96/911808896.db2.gz NQIZCEWLEXADAO-DGCLKSJQSA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCCO ZINC001507154455 921692956 /nfs/dbraw/zinc/69/29/56/921692956.db2.gz NUDGEGIVWSRWEJ-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NC)C[C@@H]1C ZINC001441857744 911835841 /nfs/dbraw/zinc/83/58/41/911835841.db2.gz GNJLPVYEQMBXSV-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CC(N)=O)CC2 ZINC001441869537 911838904 /nfs/dbraw/zinc/83/89/04/911838904.db2.gz PTXMBQJJAUQGSX-SWLSCSKDSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CC(N)=O)CC2 ZINC001441869537 911838911 /nfs/dbraw/zinc/83/89/11/911838911.db2.gz PTXMBQJJAUQGSX-SWLSCSKDSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2 ZINC001441869537 911838922 /nfs/dbraw/zinc/83/89/22/911838922.db2.gz PTXMBQJJAUQGSX-SWLSCSKDSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2 ZINC001441869537 911838927 /nfs/dbraw/zinc/83/89/27/911838927.db2.gz PTXMBQJJAUQGSX-SWLSCSKDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC(N)=O ZINC001441904398 911849776 /nfs/dbraw/zinc/84/97/76/911849776.db2.gz PYOPOUSDZCTWRX-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1CC(N)=O ZINC001441904398 911849784 /nfs/dbraw/zinc/84/97/84/911849784.db2.gz PYOPOUSDZCTWRX-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](O)C[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001441980786 911882672 /nfs/dbraw/zinc/88/26/72/911882672.db2.gz AOFFADWHROMHQG-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CCn1cncn1 ZINC001442066698 911915617 /nfs/dbraw/zinc/91/56/17/911915617.db2.gz OCTOGSWBKSMWIH-LBPRGKRZSA-N 2 1 282.392 -0.287 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001442063381 911916992 /nfs/dbraw/zinc/91/69/92/911916992.db2.gz KMZPGTVYJHAZQD-LLVKDONJSA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001442063381 911917009 /nfs/dbraw/zinc/91/70/09/911917009.db2.gz KMZPGTVYJHAZQD-LLVKDONJSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001442146396 911936901 /nfs/dbraw/zinc/93/69/01/911936901.db2.gz BUYCVWIFOQHODU-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001442150467 911938956 /nfs/dbraw/zinc/93/89/56/911938956.db2.gz SHGJXAHVMGCBDM-XQQFMLRXSA-N 2 1 296.415 -0.360 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001442281569 911963951 /nfs/dbraw/zinc/96/39/51/911963951.db2.gz BLNRGHJMZOZMNK-PWSUYJOCSA-N 2 1 295.387 -0.190 20 0 CBADMP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)CC(=O)NC ZINC001442682714 912078259 /nfs/dbraw/zinc/07/82/59/912078259.db2.gz UBNGCHVFFNNYID-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)CC(=O)NC ZINC001442682714 912078277 /nfs/dbraw/zinc/07/82/77/912078277.db2.gz UBNGCHVFFNNYID-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)C(=O)N(C)C ZINC001442746065 912095622 /nfs/dbraw/zinc/09/56/22/912095622.db2.gz RFUXMTIKKZDUOW-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)C(=O)N(C)C ZINC001442746065 912095642 /nfs/dbraw/zinc/09/56/42/912095642.db2.gz RFUXMTIKKZDUOW-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)N(C)C ZINC001442746065 912095662 /nfs/dbraw/zinc/09/56/62/912095662.db2.gz RFUXMTIKKZDUOW-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)N(C)C ZINC001442746065 912095683 /nfs/dbraw/zinc/09/56/83/912095683.db2.gz RFUXMTIKKZDUOW-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(N)=O)[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001443036805 912141551 /nfs/dbraw/zinc/14/15/51/912141551.db2.gz UNRGRCVPKQTNLM-LLVKDONJSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001443036805 912141566 /nfs/dbraw/zinc/14/15/66/912141566.db2.gz UNRGRCVPKQTNLM-LLVKDONJSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001443076191 912146730 /nfs/dbraw/zinc/14/67/30/912146730.db2.gz XMSWKTWXZBITFY-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001443076191 912146745 /nfs/dbraw/zinc/14/67/45/912146745.db2.gz XMSWKTWXZBITFY-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC[N@H+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001443076191 912146769 /nfs/dbraw/zinc/14/67/69/912146769.db2.gz XMSWKTWXZBITFY-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC[N@@H+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001443076191 912146785 /nfs/dbraw/zinc/14/67/85/912146785.db2.gz XMSWKTWXZBITFY-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001443073882 912148942 /nfs/dbraw/zinc/14/89/42/912148942.db2.gz AWYLFWZOFNCOHP-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001443090027 912150352 /nfs/dbraw/zinc/15/03/52/912150352.db2.gz IOIPROSBISUOCF-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001443099107 912156477 /nfs/dbraw/zinc/15/64/77/912156477.db2.gz KPMMNLJPYSASNN-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001443099101 912158079 /nfs/dbraw/zinc/15/80/79/912158079.db2.gz KPMMNLJPYSASNN-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H](C)C(N)=O)C1 ZINC001443450507 912197722 /nfs/dbraw/zinc/19/77/22/912197722.db2.gz HVYLLUZUPBIFGJ-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H](C)C(N)=O)C1 ZINC001443450507 912197728 /nfs/dbraw/zinc/19/77/28/912197728.db2.gz HVYLLUZUPBIFGJ-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001443450507 912197736 /nfs/dbraw/zinc/19/77/36/912197736.db2.gz HVYLLUZUPBIFGJ-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001443450507 912197743 /nfs/dbraw/zinc/19/77/43/912197743.db2.gz HVYLLUZUPBIFGJ-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001468765762 915328126 /nfs/dbraw/zinc/32/81/26/915328126.db2.gz JQFDWEVWDFTGMI-ZIAGYGMSSA-N 2 1 297.447 -0.032 20 0 CBADMP C[N@H+](CC(=O)N1CC([NH2+]C2COC2)C1)[C@@H]1CCC[C@H]1O ZINC001472157702 915702875 /nfs/dbraw/zinc/70/28/75/915702875.db2.gz QJXYJMVMSZDREI-CHWSQXEVSA-N 2 1 283.372 -0.969 20 0 CBADMP C[N@@H+](CC(=O)N1CC([NH2+]C2COC2)C1)[C@@H]1CCC[C@H]1O ZINC001472157702 915702888 /nfs/dbraw/zinc/70/28/88/915702888.db2.gz QJXYJMVMSZDREI-CHWSQXEVSA-N 2 1 283.372 -0.969 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC001472626946 915755867 /nfs/dbraw/zinc/75/58/67/915755867.db2.gz OGZJDKKTZCLYJJ-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC001472626946 915755881 /nfs/dbraw/zinc/75/58/81/915755881.db2.gz OGZJDKKTZCLYJJ-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC001472626946 915755890 /nfs/dbraw/zinc/75/58/90/915755890.db2.gz OGZJDKKTZCLYJJ-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP Nc1nc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)nc(N)[nH+]1 ZINC001472896000 915779386 /nfs/dbraw/zinc/77/93/86/915779386.db2.gz PXEIRFNXNNICGM-IUCAKERBSA-N 2 1 279.348 -0.929 20 0 CBADMP O=C1C[C@H](C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)CN1 ZINC001473657961 915848201 /nfs/dbraw/zinc/84/82/01/915848201.db2.gz CIAMQQXRZQGQMK-WCQYABFASA-N 2 1 267.373 -0.347 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H]2C[NH+](C)CC[C@@H]2C1 ZINC001473703337 915848732 /nfs/dbraw/zinc/84/87/32/915848732.db2.gz IUEYMKMPRLMNSW-QLFBSQMISA-N 3 1 285.432 -0.191 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001473703337 915848745 /nfs/dbraw/zinc/84/87/45/915848745.db2.gz IUEYMKMPRLMNSW-QLFBSQMISA-N 3 1 285.432 -0.191 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001473703337 915848762 /nfs/dbraw/zinc/84/87/62/915848762.db2.gz IUEYMKMPRLMNSW-QLFBSQMISA-N 3 1 285.432 -0.191 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001473703337 915848778 /nfs/dbraw/zinc/84/87/78/915848778.db2.gz IUEYMKMPRLMNSW-QLFBSQMISA-N 2 1 285.432 -0.191 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001473703337 915848792 /nfs/dbraw/zinc/84/87/92/915848792.db2.gz IUEYMKMPRLMNSW-QLFBSQMISA-N 2 1 285.432 -0.191 20 0 CBADMP COCCN(C)C[C@@H](O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001473703337 915848807 /nfs/dbraw/zinc/84/88/07/915848807.db2.gz IUEYMKMPRLMNSW-QLFBSQMISA-N 2 1 285.432 -0.191 20 0 CBADMP COCCN(C)C[C@@H](O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001473703337 915848815 /nfs/dbraw/zinc/84/88/15/915848815.db2.gz IUEYMKMPRLMNSW-QLFBSQMISA-N 2 1 285.432 -0.191 20 0 CBADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC001473722261 915849116 /nfs/dbraw/zinc/84/91/16/915849116.db2.gz OSPXTIJXBDZWBT-CABCVRRESA-N 2 1 285.432 -0.170 20 0 CBADMP COC(=O)[C@@](C)(O)CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473841795 915867813 /nfs/dbraw/zinc/86/78/13/915867813.db2.gz CKVNYGRSJURPLC-WXHSDQCUSA-N 2 1 256.346 -0.206 20 0 CBADMP COC(=O)[C@@](C)(O)C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473841795 915867855 /nfs/dbraw/zinc/86/78/55/915867855.db2.gz CKVNYGRSJURPLC-WXHSDQCUSA-N 2 1 256.346 -0.206 20 0 CBADMP COC(=O)[C@@](C)(O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473841795 915867871 /nfs/dbraw/zinc/86/78/71/915867871.db2.gz CKVNYGRSJURPLC-WXHSDQCUSA-N 2 1 256.346 -0.206 20 0 CBADMP CCn1nncc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001473985330 915881336 /nfs/dbraw/zinc/88/13/36/915881336.db2.gz PNFWHSKNGSUYCL-UHFFFAOYSA-N 2 1 280.376 -0.448 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001479272582 916104700 /nfs/dbraw/zinc/10/47/00/916104700.db2.gz WSYMGFYMMHYHDV-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001479770707 916170008 /nfs/dbraw/zinc/17/00/08/916170008.db2.gz IGFLRQXKUCURIW-LBPRGKRZSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+](C)CCCC(=O)NCCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001479792918 916181854 /nfs/dbraw/zinc/18/18/54/916181854.db2.gz IBOBDQBHXVTAKH-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH+](C)CC(N)=O ZINC001479815821 916183657 /nfs/dbraw/zinc/18/36/57/916183657.db2.gz OBSZCFVMRVKJBQ-UHFFFAOYSA-N 2 1 258.366 -0.750 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCC[N@H+](C)CC(N)=O ZINC001479815821 916183667 /nfs/dbraw/zinc/18/36/67/916183667.db2.gz OBSZCFVMRVKJBQ-UHFFFAOYSA-N 2 1 258.366 -0.750 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCC[N@@H+](C)CC(N)=O ZINC001479815821 916183677 /nfs/dbraw/zinc/18/36/77/916183677.db2.gz OBSZCFVMRVKJBQ-UHFFFAOYSA-N 2 1 258.366 -0.750 20 0 CBADMP CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001479811907 916187768 /nfs/dbraw/zinc/18/77/68/916187768.db2.gz COJBZCCUCJSIFH-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CCNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001479811907 916187779 /nfs/dbraw/zinc/18/77/79/916187779.db2.gz COJBZCCUCJSIFH-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CCNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001479811907 916187785 /nfs/dbraw/zinc/18/77/85/916187785.db2.gz COJBZCCUCJSIFH-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CN(C)C(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001480009684 916259206 /nfs/dbraw/zinc/25/92/06/916259206.db2.gz ZHWOSQLQZVRXLH-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001480047350 916271124 /nfs/dbraw/zinc/27/11/24/916271124.db2.gz RBRNOOBIQTZBFL-DGCLKSJQSA-N 2 1 269.389 -0.195 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480061296 916275943 /nfs/dbraw/zinc/27/59/43/916275943.db2.gz HDGNYMBNSXRBRM-RYUDHWBXSA-N 2 1 282.388 -0.832 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001480085700 916284003 /nfs/dbraw/zinc/28/40/03/916284003.db2.gz SPDBJJCCVPMACH-CYBMUJFWSA-N 2 1 298.431 -0.016 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCO)C1 ZINC001480119531 916291396 /nfs/dbraw/zinc/29/13/96/916291396.db2.gz PREBAUMPIRVQOJ-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1)C(N)=O ZINC001480173859 916319417 /nfs/dbraw/zinc/31/94/17/916319417.db2.gz OQFQEEWSOKGNKD-SRVKXCTJSA-N 2 1 284.404 -0.173 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CCCO)C2)C1 ZINC001480280234 916351203 /nfs/dbraw/zinc/35/12/03/916351203.db2.gz ZXPZCAGUWXAMJY-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CCCO)C2)C1 ZINC001480280234 916351222 /nfs/dbraw/zinc/35/12/22/916351222.db2.gz ZXPZCAGUWXAMJY-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001480300861 916352192 /nfs/dbraw/zinc/35/21/92/916352192.db2.gz QYIDRCBEPXDAFT-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001480301987 916353802 /nfs/dbraw/zinc/35/38/02/916353802.db2.gz DBLDJSGHNCETDZ-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP 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 916372283 /nfs/dbraw/zinc/37/22/83/916372283.db2.gz LFZXWDKMODXUIR-FPYNETTCSA-N 2 1 296.415 -0.363 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001480410391 916375515 /nfs/dbraw/zinc/37/55/15/916375515.db2.gz HYLRNKSMZFKLCE-UHFFFAOYSA-N 2 1 284.404 -0.170 20 0 CBADMP CCOCCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001480437383 916401743 /nfs/dbraw/zinc/40/17/43/916401743.db2.gz BMBUCQRSQMXCDG-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001480437383 916401752 /nfs/dbraw/zinc/40/17/52/916401752.db2.gz BMBUCQRSQMXCDG-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001480502705 916444172 /nfs/dbraw/zinc/44/41/72/916444172.db2.gz KQCWETLHRVKWDV-JTQLQIEISA-N 2 1 281.360 -0.578 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1nncn1C ZINC001480536946 916459689 /nfs/dbraw/zinc/45/96/89/916459689.db2.gz KUORDRZOAQELCH-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1nncn1C ZINC001480536946 916459704 /nfs/dbraw/zinc/45/97/04/916459704.db2.gz KUORDRZOAQELCH-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001480566947 916479593 /nfs/dbraw/zinc/47/95/93/916479593.db2.gz XNMLNROQTSCUHP-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001480576663 916483579 /nfs/dbraw/zinc/48/35/79/916483579.db2.gz KAPUAKUXFCDRHE-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001480576664 916484878 /nfs/dbraw/zinc/48/48/78/916484878.db2.gz KAPUAKUXFCDRHE-MNOVXSKESA-N 2 1 270.377 -0.689 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480590138 916488489 /nfs/dbraw/zinc/48/84/89/916488489.db2.gz HIMCPAZCVNLVDV-VXGBXAGGSA-N 2 1 284.404 -0.443 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001480597541 916488941 /nfs/dbraw/zinc/48/89/41/916488941.db2.gz QVZHWZJQPJPTJT-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP COCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001480638639 916507139 /nfs/dbraw/zinc/50/71/39/916507139.db2.gz MTRLXMHPTJRKCY-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP COCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001480638639 916507152 /nfs/dbraw/zinc/50/71/52/916507152.db2.gz MTRLXMHPTJRKCY-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001480754190 916529416 /nfs/dbraw/zinc/52/94/16/916529416.db2.gz QZBLUHHRZZOQNN-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP CC(C)OCC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001480852386 916576155 /nfs/dbraw/zinc/57/61/55/916576155.db2.gz ZFBZRBBZRAFFRX-CYBMUJFWSA-N 2 1 287.404 -0.210 20 0 CBADMP CC(C)OCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001480852386 916576168 /nfs/dbraw/zinc/57/61/68/916576168.db2.gz ZFBZRBBZRAFFRX-CYBMUJFWSA-N 2 1 287.404 -0.210 20 0 CBADMP CC(C)OCC[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001480852386 916576183 /nfs/dbraw/zinc/57/61/83/916576183.db2.gz ZFBZRBBZRAFFRX-CYBMUJFWSA-N 2 1 287.404 -0.210 20 0 CBADMP CC(C)OCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001480852386 916576194 /nfs/dbraw/zinc/57/61/94/916576194.db2.gz ZFBZRBBZRAFFRX-CYBMUJFWSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001480905281 916620807 /nfs/dbraw/zinc/62/08/07/916620807.db2.gz QRQQYDRSOGAAHS-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001480905281 916620817 /nfs/dbraw/zinc/62/08/17/916620817.db2.gz QRQQYDRSOGAAHS-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP Cn1cc(C[N@H+](C)CCNC(=O)CC[NH+](C)C)cn1 ZINC001480908188 916622230 /nfs/dbraw/zinc/62/22/30/916622230.db2.gz PUFMBSSVTMNSCD-UHFFFAOYSA-N 2 1 267.377 -0.080 20 0 CBADMP Cn1cc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)cn1 ZINC001480908188 916622242 /nfs/dbraw/zinc/62/22/42/916622242.db2.gz PUFMBSSVTMNSCD-UHFFFAOYSA-N 2 1 267.377 -0.080 20 0 CBADMP C[C@H](O)C[N@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001480925971 916637799 /nfs/dbraw/zinc/63/77/99/916637799.db2.gz LXFQZFIQFMWNCP-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001480925971 916637813 /nfs/dbraw/zinc/63/78/13/916637813.db2.gz LXFQZFIQFMWNCP-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480946851 916649365 /nfs/dbraw/zinc/64/93/65/916649365.db2.gz WZMHZWWYNYHHLO-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480946851 916649378 /nfs/dbraw/zinc/64/93/78/916649378.db2.gz WZMHZWWYNYHHLO-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480946851 916649391 /nfs/dbraw/zinc/64/93/91/916649391.db2.gz WZMHZWWYNYHHLO-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480946851 916649402 /nfs/dbraw/zinc/64/94/02/916649402.db2.gz WZMHZWWYNYHHLO-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480946314 916650553 /nfs/dbraw/zinc/65/05/53/916650553.db2.gz MYEACVSTKWANBF-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480946314 916650561 /nfs/dbraw/zinc/65/05/61/916650561.db2.gz MYEACVSTKWANBF-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480946314 916650570 /nfs/dbraw/zinc/65/05/70/916650570.db2.gz MYEACVSTKWANBF-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480946314 916650579 /nfs/dbraw/zinc/65/05/79/916650579.db2.gz MYEACVSTKWANBF-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)[C@H](C)COC)C1 ZINC001480948964 916650616 /nfs/dbraw/zinc/65/06/16/916650616.db2.gz FOLRDJZZRFTSES-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)[C@H](C)COC)C1 ZINC001480948964 916650632 /nfs/dbraw/zinc/65/06/32/916650632.db2.gz FOLRDJZZRFTSES-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)[C@H](C)COC)C1 ZINC001480948964 916650644 /nfs/dbraw/zinc/65/06/44/916650644.db2.gz FOLRDJZZRFTSES-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)[C@H](C)COC)C1 ZINC001480948964 916650659 /nfs/dbraw/zinc/65/06/59/916650659.db2.gz FOLRDJZZRFTSES-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H](C)C(N)=O ZINC001480983329 916669418 /nfs/dbraw/zinc/66/94/18/916669418.db2.gz XFFURKDREYXXTE-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H](C)C(N)=O ZINC001480983329 916669431 /nfs/dbraw/zinc/66/94/31/916669431.db2.gz XFFURKDREYXXTE-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[C@H](C)C(N)=O ZINC001480983329 916669440 /nfs/dbraw/zinc/66/94/40/916669440.db2.gz XFFURKDREYXXTE-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[C@H](C)C(N)=O ZINC001480983329 916669447 /nfs/dbraw/zinc/66/94/47/916669447.db2.gz XFFURKDREYXXTE-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CCCO)CCNC(=O)C[NH+]1CCCC1 ZINC001481016147 916684680 /nfs/dbraw/zinc/68/46/80/916684680.db2.gz CSSMSDYDGZRNBD-UHFFFAOYSA-N 2 1 257.378 -0.097 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](CC)[C@H]1CCNC1=O ZINC001481012900 916687026 /nfs/dbraw/zinc/68/70/26/916687026.db2.gz DTAQWYIWEOEWRN-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@H+](CC)[C@H]1CCNC1=O ZINC001481012900 916687032 /nfs/dbraw/zinc/68/70/32/916687032.db2.gz DTAQWYIWEOEWRN-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](CC)[C@H]1CCNC1=O ZINC001481012900 916687037 /nfs/dbraw/zinc/68/70/37/916687037.db2.gz DTAQWYIWEOEWRN-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCCNC1=O ZINC001481056547 916698780 /nfs/dbraw/zinc/69/87/80/916698780.db2.gz QYKLISBMYRJWQY-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001481122430 916725395 /nfs/dbraw/zinc/72/53/95/916725395.db2.gz ANZISYKISOLRJC-KBPBESRZSA-N 2 1 299.415 -0.615 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001481127410 916731793 /nfs/dbraw/zinc/73/17/93/916731793.db2.gz VDRLKZMQWATGBS-VXGBXAGGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001481127410 916731807 /nfs/dbraw/zinc/73/18/07/916731807.db2.gz VDRLKZMQWATGBS-VXGBXAGGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001481127410 916731817 /nfs/dbraw/zinc/73/18/17/916731817.db2.gz VDRLKZMQWATGBS-VXGBXAGGSA-N 2 1 284.404 -0.362 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC ZINC001481153815 916734018 /nfs/dbraw/zinc/73/40/18/916734018.db2.gz MYWUEBSNWKYDBN-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC ZINC001481153815 916734031 /nfs/dbraw/zinc/73/40/31/916734031.db2.gz MYWUEBSNWKYDBN-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NC ZINC001481153815 916734040 /nfs/dbraw/zinc/73/40/40/916734040.db2.gz MYWUEBSNWKYDBN-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NC ZINC001481153815 916734049 /nfs/dbraw/zinc/73/40/49/916734049.db2.gz MYWUEBSNWKYDBN-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCO ZINC001481229717 916776344 /nfs/dbraw/zinc/77/63/44/916776344.db2.gz XSCMQAYVIFFCKC-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001481228879 916776450 /nfs/dbraw/zinc/77/64/50/916776450.db2.gz KOEZPEGLHRNECM-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001481257762 916791346 /nfs/dbraw/zinc/79/13/46/916791346.db2.gz QIZIVOOSWMILPZ-UHFFFAOYSA-N 2 1 295.387 -0.282 20 0 CBADMP CN(CC[NH2+]Cc1cn(C)nn1)C(=O)C1CC[NH+](C)CC1 ZINC001481277005 916802196 /nfs/dbraw/zinc/80/21/96/916802196.db2.gz JGMZMHWELBCNKV-UHFFFAOYSA-N 2 1 294.403 -0.295 20 0 CBADMP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481314675 916812594 /nfs/dbraw/zinc/81/25/94/916812594.db2.gz JWIIVPQJYFEZNS-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481314239 916812751 /nfs/dbraw/zinc/81/27/51/916812751.db2.gz BWSSQLSJABGERV-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CN(CC[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481315267 916816836 /nfs/dbraw/zinc/81/68/36/916816836.db2.gz UKZGWUMCLZRWNO-LLVKDONJSA-N 2 1 280.376 -0.685 20 0 CBADMP CN(CC[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481315267 916816855 /nfs/dbraw/zinc/81/68/55/916816855.db2.gz UKZGWUMCLZRWNO-LLVKDONJSA-N 2 1 280.376 -0.685 20 0 CBADMP O=C(NCC[C@H]1CC[N@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001481455537 916837144 /nfs/dbraw/zinc/83/71/44/916837144.db2.gz AQCYMAFHLFJBFK-ZDUSSCGKSA-N 2 1 281.400 -0.097 20 0 CBADMP C[NH+](C)CCC(=O)NCC1C[NH+](CCNC(=O)C2CC2)C1 ZINC001481642118 916925457 /nfs/dbraw/zinc/92/54/57/916925457.db2.gz BHLDCWGIWILXCC-UHFFFAOYSA-N 2 1 296.415 -0.488 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOCCO ZINC001481676472 916942340 /nfs/dbraw/zinc/94/23/40/916942340.db2.gz HCERIQJHVPGMCD-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOCCO ZINC001481676472 916942348 /nfs/dbraw/zinc/94/23/48/916942348.db2.gz HCERIQJHVPGMCD-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001481812526 916994949 /nfs/dbraw/zinc/99/49/49/916994949.db2.gz OCYXNBSBHKHRIC-FRRDWIJNSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@H]1CCNC1=O ZINC001481877999 917013921 /nfs/dbraw/zinc/01/39/21/917013921.db2.gz GIHMVORNOFXTJN-RYUDHWBXSA-N 2 1 293.371 -0.436 20 0 CBADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@H]1CCNC1=O ZINC001481877997 917014170 /nfs/dbraw/zinc/01/41/70/917014170.db2.gz GIHMVORNOFXTJN-NEPJUHHUSA-N 2 1 293.371 -0.436 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001482155157 917065963 /nfs/dbraw/zinc/06/59/63/917065963.db2.gz CSMOBSWJULPFOK-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001482173495 917074651 /nfs/dbraw/zinc/07/46/51/917074651.db2.gz MMTAKQWTCUDDCB-NSHDSACASA-N 2 1 297.407 -0.608 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001482173495 917074665 /nfs/dbraw/zinc/07/46/65/917074665.db2.gz MMTAKQWTCUDDCB-NSHDSACASA-N 2 1 297.407 -0.608 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001482173331 917075068 /nfs/dbraw/zinc/07/50/68/917075068.db2.gz JPPGBYADTLXFTF-SNVBAGLBSA-N 2 1 258.366 -0.846 20 0 CBADMP C[C@H](C[NH2+]CCn1cncn1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001482318880 917126665 /nfs/dbraw/zinc/12/66/65/917126665.db2.gz HKTZNIGMPOTZGA-CHWSQXEVSA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001482341926 917131963 /nfs/dbraw/zinc/13/19/63/917131963.db2.gz HNJMZKVDVVZSKX-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](C[NH2+]C[C@H](C)O)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001482341924 917132601 /nfs/dbraw/zinc/13/26/01/917132601.db2.gz HNJMZKVDVVZSKX-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CN(CC[N@@H+](C)CCCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001482648954 917195904 /nfs/dbraw/zinc/19/59/04/917195904.db2.gz CJSPBMYFTHJGLS-GFCCVEGCSA-N 2 1 257.378 -0.289 20 0 CBADMP CN(CC[NH+](C)CCCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482648954 917195913 /nfs/dbraw/zinc/19/59/13/917195913.db2.gz CJSPBMYFTHJGLS-GFCCVEGCSA-N 2 1 257.378 -0.289 20 0 CBADMP CN(CC[NH+](C)CCCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482648954 917195922 /nfs/dbraw/zinc/19/59/22/917195922.db2.gz CJSPBMYFTHJGLS-GFCCVEGCSA-N 2 1 257.378 -0.289 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CC(N)=O)C1 ZINC001482667638 917200204 /nfs/dbraw/zinc/20/02/04/917200204.db2.gz TWVCOVXSZFDQHD-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(N)=O)C1 ZINC001482667638 917200215 /nfs/dbraw/zinc/20/02/15/917200215.db2.gz TWVCOVXSZFDQHD-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(N)=O)C1 ZINC001482667638 917200228 /nfs/dbraw/zinc/20/02/28/917200228.db2.gz TWVCOVXSZFDQHD-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP COCC[NH2+]C[C@@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482765692 917263062 /nfs/dbraw/zinc/26/30/62/917263062.db2.gz BBECGSWKGGAVLM-VXGBXAGGSA-N 2 1 273.377 -0.959 20 0 CBADMP COCC[NH2+]C[C@@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482765687 917265174 /nfs/dbraw/zinc/26/51/74/917265174.db2.gz BBECGSWKGGAVLM-NWDGAFQWSA-N 2 1 273.377 -0.959 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCCO ZINC001482800642 917289776 /nfs/dbraw/zinc/28/97/76/917289776.db2.gz XDGWXTOLPICOBQ-CHWSQXEVSA-N 2 1 287.404 -0.690 20 0 CBADMP CCN(CC[NH2+]C[C@@H](O)COC)C(=O)[C@H]1CCC[N@H+]1C ZINC001482941970 917346826 /nfs/dbraw/zinc/34/68/26/917346826.db2.gz DGDHTCVITOJGOT-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482993428 917362666 /nfs/dbraw/zinc/36/26/66/917362666.db2.gz RUDAXFDXLKBIRZ-OEFFGFFESA-N 2 1 285.388 -0.386 20 0 CBADMP COC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482993428 917362677 /nfs/dbraw/zinc/36/26/77/917362677.db2.gz RUDAXFDXLKBIRZ-OEFFGFFESA-N 2 1 285.388 -0.386 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+][C@H]2CCNC2=O)CC[N@H+]1C ZINC001483008203 917373273 /nfs/dbraw/zinc/37/32/73/917373273.db2.gz HUEHQWBGDZRGNW-ISVJBFRGSA-N 2 1 294.399 -0.523 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001483009898 917374301 /nfs/dbraw/zinc/37/43/01/917374301.db2.gz IHCITGPGLFJDLJ-VSQXVHSFSA-N 2 1 282.388 -0.394 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+]CCOC)C1 ZINC001483094968 917408235 /nfs/dbraw/zinc/40/82/35/917408235.db2.gz IJTUJGDWRFDAPD-ZFDPJTLLSA-N 2 1 285.388 -0.385 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+]CCOC)C1 ZINC001483094968 917408239 /nfs/dbraw/zinc/40/82/39/917408239.db2.gz IJTUJGDWRFDAPD-ZFDPJTLLSA-N 2 1 285.388 -0.385 20 0 CBADMP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001483137226 917429627 /nfs/dbraw/zinc/42/96/27/917429627.db2.gz NIJXKWLKXJYYIJ-ZYHUDNBSSA-N 2 1 284.404 -0.171 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001483149872 917437692 /nfs/dbraw/zinc/43/76/92/917437692.db2.gz KPDKAKKSAMASDW-KOLCDFICSA-N 2 1 279.344 -0.826 20 0 CBADMP C[C@H](C[NH2+]CCn1cncn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001483166371 917450043 /nfs/dbraw/zinc/45/00/43/917450043.db2.gz GUIHWJUTEDBHDP-CHWSQXEVSA-N 2 1 294.403 -0.286 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483354550 917543673 /nfs/dbraw/zinc/54/36/73/917543673.db2.gz WOAHBMXJCUGASB-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483354550 917543682 /nfs/dbraw/zinc/54/36/82/917543682.db2.gz WOAHBMXJCUGASB-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483354550 917543692 /nfs/dbraw/zinc/54/36/92/917543692.db2.gz WOAHBMXJCUGASB-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001483354550 917543705 /nfs/dbraw/zinc/54/37/05/917543705.db2.gz WOAHBMXJCUGASB-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[N@@H+](C)CCn1cncn1)NC(=O)C[NH+]1CCCC1 ZINC001483420171 917558395 /nfs/dbraw/zinc/55/83/95/917558395.db2.gz MCXHUOBSECGZMM-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001483420944 917559677 /nfs/dbraw/zinc/55/96/77/917559677.db2.gz MZRDPWDCEOZCRQ-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H]1CCN(C)C1=O ZINC001483420944 917559692 /nfs/dbraw/zinc/55/96/92/917559692.db2.gz MZRDPWDCEOZCRQ-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H]1CCN(C)C1=O ZINC001483420944 917559708 /nfs/dbraw/zinc/55/97/08/917559708.db2.gz MZRDPWDCEOZCRQ-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCCO)C2CC2)C1 ZINC001483604898 917603894 /nfs/dbraw/zinc/60/38/94/917603894.db2.gz AGFKMWHADLMXEW-CHWSQXEVSA-N 2 1 269.389 -0.195 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001483605029 917604185 /nfs/dbraw/zinc/60/41/85/917604185.db2.gz CHYJPMJQNBNWMP-LBPRGKRZSA-N 2 1 293.371 -0.578 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1C[C@H](C)O ZINC001483665017 917630163 /nfs/dbraw/zinc/63/01/63/917630163.db2.gz WKNZIEOOXBBATP-NWDGAFQWSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1C[C@H](C)O ZINC001483665017 917630175 /nfs/dbraw/zinc/63/01/75/917630175.db2.gz WKNZIEOOXBBATP-NWDGAFQWSA-N 2 1 266.345 -0.237 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+]2CCOCCO)C1 ZINC001483695163 917639346 /nfs/dbraw/zinc/63/93/46/917639346.db2.gz PGBDUKUQTQXCPQ-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+]2CCOCCO)C1 ZINC001483695163 917639356 /nfs/dbraw/zinc/63/93/56/917639356.db2.gz PGBDUKUQTQXCPQ-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CC[N@@H+]2CCOCCO)C1 ZINC001483695163 917639363 /nfs/dbraw/zinc/63/93/63/917639363.db2.gz PGBDUKUQTQXCPQ-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CC[N@H+]2CCOCCO)C1 ZINC001483695163 917639373 /nfs/dbraw/zinc/63/93/73/917639373.db2.gz PGBDUKUQTQXCPQ-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+]2CCOCCO)C1 ZINC001483695161 917639579 /nfs/dbraw/zinc/63/95/79/917639579.db2.gz PGBDUKUQTQXCPQ-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+]2CCOCCO)C1 ZINC001483695161 917639594 /nfs/dbraw/zinc/63/95/94/917639594.db2.gz PGBDUKUQTQXCPQ-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CC[N@@H+]2CCOCCO)C1 ZINC001483695161 917639604 /nfs/dbraw/zinc/63/96/04/917639604.db2.gz PGBDUKUQTQXCPQ-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CC[N@H+]2CCOCCO)C1 ZINC001483695161 917639616 /nfs/dbraw/zinc/63/96/16/917639616.db2.gz PGBDUKUQTQXCPQ-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CCOCCO)C1 ZINC001483702540 917645426 /nfs/dbraw/zinc/64/54/26/917645426.db2.gz PWRPWIMOKRSWPG-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CCOCCO)C1 ZINC001483702540 917645435 /nfs/dbraw/zinc/64/54/35/917645435.db2.gz PWRPWIMOKRSWPG-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCOCCO)C1 ZINC001483702540 917645445 /nfs/dbraw/zinc/64/54/45/917645445.db2.gz PWRPWIMOKRSWPG-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CCOCCO)C1 ZINC001483702540 917645451 /nfs/dbraw/zinc/64/54/51/917645451.db2.gz PWRPWIMOKRSWPG-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001483721863 917658222 /nfs/dbraw/zinc/65/82/22/917658222.db2.gz LRNSWEZUKPWVKR-RYUDHWBXSA-N 2 1 285.388 -0.674 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1([NH2+]CCO)CC1)CC2 ZINC001483762920 917673047 /nfs/dbraw/zinc/67/30/47/917673047.db2.gz PQCJLVACIUMDKJ-LBPRGKRZSA-N 2 1 292.383 -0.015 20 0 CBADMP COCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001483758740 917674039 /nfs/dbraw/zinc/67/40/39/917674039.db2.gz LVATUYSIMSGOHK-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001483777274 917676357 /nfs/dbraw/zinc/67/63/57/917676357.db2.gz DPIZDYXFYYYJSK-UHFFFAOYSA-N 2 1 255.362 -0.033 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001483795557 917684207 /nfs/dbraw/zinc/68/42/07/917684207.db2.gz WYSOQSSPOQROCD-NSHDSACASA-N 2 1 284.404 -0.301 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001483951861 917712555 /nfs/dbraw/zinc/71/25/55/917712555.db2.gz MNZFEJQVSFNLTF-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001484049089 917724284 /nfs/dbraw/zinc/72/42/84/917724284.db2.gz ZAGJWGHCJSHBMO-WFASDCNBSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001484049089 917724294 /nfs/dbraw/zinc/72/42/94/917724294.db2.gz ZAGJWGHCJSHBMO-WFASDCNBSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001484049089 917724309 /nfs/dbraw/zinc/72/43/09/917724309.db2.gz ZAGJWGHCJSHBMO-WFASDCNBSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001484049089 917724318 /nfs/dbraw/zinc/72/43/18/917724318.db2.gz ZAGJWGHCJSHBMO-WFASDCNBSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@@H+](CCOCCO)C1 ZINC001484070707 917729390 /nfs/dbraw/zinc/72/93/90/917729390.db2.gz IJAWJFDIKVEPCE-HNNXBMFYSA-N 2 1 299.415 -0.328 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[N@H+](CCO)C1 ZINC001484052198 917732251 /nfs/dbraw/zinc/73/22/51/917732251.db2.gz GOIIHKFHBXEIRC-ZDUSSCGKSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001484052198 917732262 /nfs/dbraw/zinc/73/22/62/917732262.db2.gz GOIIHKFHBXEIRC-ZDUSSCGKSA-N 2 1 266.345 -0.236 20 0 CBADMP C[C@]1(NC(=O)CC[NH+]2CCOCC2)CC[N@H+](CCO)C1 ZINC001484066135 917733743 /nfs/dbraw/zinc/73/37/43/917733743.db2.gz VCSDMZGLIRHFNV-AWEZNQCLSA-N 2 1 285.388 -0.718 20 0 CBADMP C[C@]1(NC(=O)CC[NH+]2CCOCC2)CC[N@@H+](CCO)C1 ZINC001484066135 917733754 /nfs/dbraw/zinc/73/37/54/917733754.db2.gz VCSDMZGLIRHFNV-AWEZNQCLSA-N 2 1 285.388 -0.718 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCO)C2)C1 ZINC001484124623 917746019 /nfs/dbraw/zinc/74/60/19/917746019.db2.gz IVLCESOCQOCQGS-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCO)C2)C1 ZINC001484124623 917746029 /nfs/dbraw/zinc/74/60/29/917746029.db2.gz IVLCESOCQOCQGS-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001484238772 917783146 /nfs/dbraw/zinc/78/31/46/917783146.db2.gz LVKXDQJQDGYCDN-CQSZACIVSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC)C1)[NH+](C)C ZINC001484248085 917789961 /nfs/dbraw/zinc/78/99/61/917789961.db2.gz ZNSDAURTEIOIOF-YPMHNXCESA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001484472702 917859221 /nfs/dbraw/zinc/85/92/21/917859221.db2.gz IKWWZAMUUZGXIS-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001484472702 917859234 /nfs/dbraw/zinc/85/92/34/917859234.db2.gz IKWWZAMUUZGXIS-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CO[C@@H](C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001484478151 917864084 /nfs/dbraw/zinc/86/40/84/917864084.db2.gz HYKUYXHMHLKVSC-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CO[C@H](C)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001484478148 917866028 /nfs/dbraw/zinc/86/60/28/917866028.db2.gz HYKUYXHMHLKVSC-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001484499318 917880131 /nfs/dbraw/zinc/88/01/31/917880131.db2.gz BCWFHNDFQYEGLL-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP COCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC001484671489 917916280 /nfs/dbraw/zinc/91/62/80/917916280.db2.gz PEAFYFWCAUEFAA-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CN(CCC[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001484765659 917935379 /nfs/dbraw/zinc/93/53/79/917935379.db2.gz MTWKWBJFVQEWDP-GFCCVEGCSA-N 2 1 284.404 -0.406 20 0 CBADMP CN(CCC[NH+](C)CC(N)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001484765659 917935397 /nfs/dbraw/zinc/93/53/97/917935397.db2.gz MTWKWBJFVQEWDP-GFCCVEGCSA-N 2 1 284.404 -0.406 20 0 CBADMP CN(CCC[NH+](C)CC(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001484765659 917935420 /nfs/dbraw/zinc/93/54/20/917935420.db2.gz MTWKWBJFVQEWDP-GFCCVEGCSA-N 2 1 284.404 -0.406 20 0 CBADMP CCC1([NH2+]CC(N)=O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001484814780 917940746 /nfs/dbraw/zinc/94/07/46/917940746.db2.gz QIOFHGOQGWMWPT-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001484902002 917961768 /nfs/dbraw/zinc/96/17/68/917961768.db2.gz NACXGQCKWLEJHR-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001484996913 917977373 /nfs/dbraw/zinc/97/73/73/917977373.db2.gz DCVWTZTZSPHXGS-SDDRHHMPSA-N 2 1 257.378 -0.054 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CC(=O)NC ZINC001485075597 917985155 /nfs/dbraw/zinc/98/51/55/917985155.db2.gz DFWPFOZCOTWSOJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CC(=O)NC ZINC001485075597 917985168 /nfs/dbraw/zinc/98/51/68/917985168.db2.gz DFWPFOZCOTWSOJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=O)NC ZINC001485075597 917985172 /nfs/dbraw/zinc/98/51/72/917985172.db2.gz DFWPFOZCOTWSOJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=O)NC ZINC001485075597 917985188 /nfs/dbraw/zinc/98/51/88/917985188.db2.gz DFWPFOZCOTWSOJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001485076941 917985911 /nfs/dbraw/zinc/98/59/11/917985911.db2.gz PXRFINPYOPDKMH-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001485076941 917985922 /nfs/dbraw/zinc/98/59/22/917985922.db2.gz PXRFINPYOPDKMH-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC1CC(C[NH2+][C@H](C)C(N)=O)C1 ZINC001485109734 917997210 /nfs/dbraw/zinc/99/72/10/917997210.db2.gz GATFCBVBIJNGAR-OIKLOGQESA-N 2 1 293.371 -0.450 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001485345898 918085882 /nfs/dbraw/zinc/08/58/82/918085882.db2.gz QELDKOMWWPJDOJ-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001485345898 918085902 /nfs/dbraw/zinc/08/59/02/918085902.db2.gz QELDKOMWWPJDOJ-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001485389616 918106252 /nfs/dbraw/zinc/10/62/52/918106252.db2.gz UPEMRXXDAUIBBY-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001485389616 918106264 /nfs/dbraw/zinc/10/62/64/918106264.db2.gz UPEMRXXDAUIBBY-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001485389616 918106275 /nfs/dbraw/zinc/10/62/75/918106275.db2.gz UPEMRXXDAUIBBY-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001485389616 918106284 /nfs/dbraw/zinc/10/62/84/918106284.db2.gz UPEMRXXDAUIBBY-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCO)C1 ZINC001485531766 918139920 /nfs/dbraw/zinc/13/99/20/918139920.db2.gz BMRAWAFFISUXBB-VXGBXAGGSA-N 2 1 269.389 -0.243 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001485703179 918169775 /nfs/dbraw/zinc/16/97/75/918169775.db2.gz RTTCFCCQSMSESF-SRVKXCTJSA-N 2 1 284.404 -0.314 20 0 CBADMP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001485739723 918177046 /nfs/dbraw/zinc/17/70/46/918177046.db2.gz YWTMZIZNDXMTND-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001485881291 918218025 /nfs/dbraw/zinc/21/80/25/918218025.db2.gz FGZMIMIBSCKCLO-QWRGUYRKSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1cn(C)nn1 ZINC001485956610 918238952 /nfs/dbraw/zinc/23/89/52/918238952.db2.gz YQLQYBIPSXLNFN-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001485955289 918242119 /nfs/dbraw/zinc/24/21/19/918242119.db2.gz JGVHGINYTLXEQY-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001486203614 918381240 /nfs/dbraw/zinc/38/12/40/918381240.db2.gz ZVYKPWOEWSIDGA-RYUDHWBXSA-N 2 1 296.415 -0.170 20 0 CBADMP C[NH+](C)CCCCC(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001486519052 918480611 /nfs/dbraw/zinc/48/06/11/918480611.db2.gz FGWOYPVALDCPND-UHFFFAOYSA-N 2 1 296.415 -0.048 20 0 CBADMP C[NH+](C)CCCCC(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001486519052 918480621 /nfs/dbraw/zinc/48/06/21/918480621.db2.gz FGWOYPVALDCPND-UHFFFAOYSA-N 2 1 296.415 -0.048 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001486514603 918480640 /nfs/dbraw/zinc/48/06/40/918480640.db2.gz ARCOFDKXHQNQKL-UHFFFAOYSA-N 2 1 296.415 -0.225 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001486514603 918480647 /nfs/dbraw/zinc/48/06/47/918480647.db2.gz ARCOFDKXHQNQKL-UHFFFAOYSA-N 2 1 296.415 -0.225 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001488772723 918764391 /nfs/dbraw/zinc/76/43/91/918764391.db2.gz MAWPCUJPWCTPFA-UPJWGTAASA-N 2 1 269.389 -0.195 20 0 CBADMP C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001488857947 918775282 /nfs/dbraw/zinc/77/52/82/918775282.db2.gz GKVNFDSWIVJUQP-RNJOBUHISA-N 2 1 296.415 -0.314 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCNC1=O ZINC001490214279 918868940 /nfs/dbraw/zinc/86/89/40/918868940.db2.gz QWSPSRNVZOBPSH-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC001490214279 918868953 /nfs/dbraw/zinc/86/89/53/918868953.db2.gz QWSPSRNVZOBPSH-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CCNC1=O ZINC001490214279 918868962 /nfs/dbraw/zinc/86/89/62/918868962.db2.gz QWSPSRNVZOBPSH-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001490558239 918935280 /nfs/dbraw/zinc/93/52/80/918935280.db2.gz CYJIASYYASYEOV-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001490558239 918935296 /nfs/dbraw/zinc/93/52/96/918935296.db2.gz CYJIASYYASYEOV-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001490577437 918941703 /nfs/dbraw/zinc/94/17/03/918941703.db2.gz NZXCMDQDPUQNTI-CYBMUJFWSA-N 2 1 296.371 -0.609 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001490577437 918941716 /nfs/dbraw/zinc/94/17/16/918941716.db2.gz NZXCMDQDPUQNTI-CYBMUJFWSA-N 2 1 296.371 -0.609 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001490836703 918975159 /nfs/dbraw/zinc/97/51/59/918975159.db2.gz XVXLSZJCAOVHPQ-GRYCIOLGSA-N 2 1 282.388 -0.594 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001491079758 919024373 /nfs/dbraw/zinc/02/43/73/919024373.db2.gz GANUUIKJTSZJKQ-UTUOFQBUSA-N 2 1 284.404 -0.302 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001491073061 919025105 /nfs/dbraw/zinc/02/51/05/919025105.db2.gz DGINCWAWZSBZQK-GRYCIOLGSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[C@H](C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC001491335583 919117578 /nfs/dbraw/zinc/11/75/78/919117578.db2.gz NFNMJRZEKXMPNY-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC1CCOCC1 ZINC001491419973 919149701 /nfs/dbraw/zinc/14/97/01/919149701.db2.gz AOZLGXLHBFSFKR-JSGCOSHPSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC1CCOCC1 ZINC001491419973 919149709 /nfs/dbraw/zinc/14/97/09/919149709.db2.gz AOZLGXLHBFSFKR-JSGCOSHPSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC1CCOCC1 ZINC001491419971 919150269 /nfs/dbraw/zinc/15/02/69/919150269.db2.gz AOZLGXLHBFSFKR-GXTWGEPZSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC1CCOCC1 ZINC001491419971 919150274 /nfs/dbraw/zinc/15/02/74/919150274.db2.gz AOZLGXLHBFSFKR-GXTWGEPZSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1nnnn1C ZINC001491570201 919212303 /nfs/dbraw/zinc/21/23/03/919212303.db2.gz YZTYCOBKOOHPMZ-ZJUUUORDSA-N 2 1 283.380 -0.683 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1nnnn1C ZINC001491578349 919214151 /nfs/dbraw/zinc/21/41/51/919214151.db2.gz CTKMURYTFFTJHF-GHMZBOCLSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1nnnn1C ZINC001491578349 919214161 /nfs/dbraw/zinc/21/41/61/919214161.db2.gz CTKMURYTFFTJHF-GHMZBOCLSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1nnnn1C ZINC001491578352 919217145 /nfs/dbraw/zinc/21/71/45/919217145.db2.gz CTKMURYTFFTJHF-WDEREUQCSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1nnnn1C ZINC001491578352 919217153 /nfs/dbraw/zinc/21/71/53/919217153.db2.gz CTKMURYTFFTJHF-WDEREUQCSA-N 2 1 295.391 -0.854 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001491611817 919225707 /nfs/dbraw/zinc/22/57/07/919225707.db2.gz QSCSVQCZUAHCLM-LLVKDONJSA-N 2 1 295.387 -0.188 20 0 CBADMP C[NH+](C)CCCC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001491710756 919261791 /nfs/dbraw/zinc/26/17/91/919261791.db2.gz ACPIJPZTZXNWJV-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001491849114 919290335 /nfs/dbraw/zinc/29/03/35/919290335.db2.gz DKRSMINBQSECIW-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001491856338 919292501 /nfs/dbraw/zinc/29/25/01/919292501.db2.gz LTGUZAVCIGVFAM-CMPLNLGQSA-N 2 1 293.371 -0.497 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001491965030 919303140 /nfs/dbraw/zinc/30/31/40/919303140.db2.gz FHPMJFHJKMLHNU-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001491965030 919303155 /nfs/dbraw/zinc/30/31/55/919303155.db2.gz FHPMJFHJKMLHNU-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001491965030 919303170 /nfs/dbraw/zinc/30/31/70/919303170.db2.gz FHPMJFHJKMLHNU-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001491965030 919303183 /nfs/dbraw/zinc/30/31/83/919303183.db2.gz FHPMJFHJKMLHNU-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001492128411 919326193 /nfs/dbraw/zinc/32/61/93/919326193.db2.gz SSGALYXSDVCAHA-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CN1CCO[C@@H](C(=O)NCC[N@@H+](C)C[C@@H]2CCCOC2)C1 ZINC001492220158 919361586 /nfs/dbraw/zinc/36/15/86/919361586.db2.gz DNMQWMAYDZGJGN-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@@H]1CCCOC1 ZINC001492220158 919361601 /nfs/dbraw/zinc/36/16/01/919361601.db2.gz DNMQWMAYDZGJGN-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@@H]1CCCOC1 ZINC001492220158 919361617 /nfs/dbraw/zinc/36/16/17/919361617.db2.gz DNMQWMAYDZGJGN-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C[C@@H]1CCCOC1 ZINC001492220158 919361630 /nfs/dbraw/zinc/36/16/30/919361630.db2.gz DNMQWMAYDZGJGN-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C[C@@H]1CCCOC1 ZINC001492220158 919361646 /nfs/dbraw/zinc/36/16/46/919361646.db2.gz DNMQWMAYDZGJGN-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP Cn1cc(C[N@H+](C)CCNC(=O)[C@@H]2CN(C)CCO2)cn1 ZINC001492221314 919363556 /nfs/dbraw/zinc/36/35/56/919363556.db2.gz SVUZCIAHCPVPKN-ZDUSSCGKSA-N 2 1 295.387 -0.701 20 0 CBADMP Cn1cc(C[N@@H+](C)CCNC(=O)[C@@H]2CN(C)CCO2)cn1 ZINC001492221314 919363571 /nfs/dbraw/zinc/36/35/71/919363571.db2.gz SVUZCIAHCPVPKN-ZDUSSCGKSA-N 2 1 295.387 -0.701 20 0 CBADMP C[N@@H+](CCCO)CCNC(=O)[C@H]1CCn2cncc2C1 ZINC001492309457 919387804 /nfs/dbraw/zinc/38/78/04/919387804.db2.gz TWUGAMLEHUUUID-LBPRGKRZSA-N 2 1 280.372 -0.124 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001492420421 919412185 /nfs/dbraw/zinc/41/21/85/919412185.db2.gz ARKOBUPUIKOQSG-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001492420421 919412192 /nfs/dbraw/zinc/41/21/92/919412192.db2.gz ARKOBUPUIKOQSG-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001492420421 919412202 /nfs/dbraw/zinc/41/22/02/919412202.db2.gz ARKOBUPUIKOQSG-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001492420421 919412208 /nfs/dbraw/zinc/41/22/08/919412208.db2.gz ARKOBUPUIKOQSG-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001492420423 919414147 /nfs/dbraw/zinc/41/41/47/919414147.db2.gz ARKOBUPUIKOQSG-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001492420423 919414154 /nfs/dbraw/zinc/41/41/54/919414154.db2.gz ARKOBUPUIKOQSG-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001492420423 919414158 /nfs/dbraw/zinc/41/41/58/919414158.db2.gz ARKOBUPUIKOQSG-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001492420423 919414167 /nfs/dbraw/zinc/41/41/67/919414167.db2.gz ARKOBUPUIKOQSG-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001492423012 919416349 /nfs/dbraw/zinc/41/63/49/919416349.db2.gz KZFXWUJEJQSMMS-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001492423012 919416366 /nfs/dbraw/zinc/41/63/66/919416366.db2.gz KZFXWUJEJQSMMS-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001492423012 919416377 /nfs/dbraw/zinc/41/63/77/919416377.db2.gz KZFXWUJEJQSMMS-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001492423012 919416388 /nfs/dbraw/zinc/41/63/88/919416388.db2.gz KZFXWUJEJQSMMS-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001493128391 919482219 /nfs/dbraw/zinc/48/22/19/919482219.db2.gz LVJADCCVRFSNKG-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001493128391 919482225 /nfs/dbraw/zinc/48/22/25/919482225.db2.gz LVJADCCVRFSNKG-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001493236931 919508337 /nfs/dbraw/zinc/50/83/37/919508337.db2.gz OCQVLQCIEOERMP-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001493236931 919508353 /nfs/dbraw/zinc/50/83/53/919508353.db2.gz OCQVLQCIEOERMP-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001493236931 919508369 /nfs/dbraw/zinc/50/83/69/919508369.db2.gz OCQVLQCIEOERMP-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493235092 919509202 /nfs/dbraw/zinc/50/92/02/919509202.db2.gz VDJUWDKZBMXNJO-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001493235663 919509487 /nfs/dbraw/zinc/50/94/87/919509487.db2.gz XELLTGPBQUAROO-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C[C@@H](C)O)C2CC2)C1 ZINC001493448227 919547292 /nfs/dbraw/zinc/54/72/92/919547292.db2.gz FGCISHPWMGYNMX-OCCSQVGLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C[C@@H](C)O)C2CC2)C1 ZINC001493448227 919547306 /nfs/dbraw/zinc/54/73/06/919547306.db2.gz FGCISHPWMGYNMX-OCCSQVGLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C[C@@H](C)O)C2CC2)C1 ZINC001493448227 919547319 /nfs/dbraw/zinc/54/73/19/919547319.db2.gz FGCISHPWMGYNMX-OCCSQVGLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C[C@@H](C)O)C2CC2)C1 ZINC001493448227 919547329 /nfs/dbraw/zinc/54/73/29/919547329.db2.gz FGCISHPWMGYNMX-OCCSQVGLSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(CC[NH2+]C[C@@H]1CCCOC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001493508611 919564698 /nfs/dbraw/zinc/56/46/98/919564698.db2.gz PYPASYLSVRVRHY-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CC[NH2+]C[C@@H]1CCCOC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001493508611 919564707 /nfs/dbraw/zinc/56/47/07/919564707.db2.gz PYPASYLSVRVRHY-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CC[NH2+]C[C@H]1CCCOC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001493508621 919565428 /nfs/dbraw/zinc/56/54/28/919565428.db2.gz PYPASYLSVRVRHY-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CC[NH2+]C[C@H]1CCCOC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001493508621 919565444 /nfs/dbraw/zinc/56/54/44/919565444.db2.gz PYPASYLSVRVRHY-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@H]1CCCN(C)C1=O ZINC001493754212 919617567 /nfs/dbraw/zinc/61/75/67/919617567.db2.gz ZNDIDZKQFGWAAT-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C ZINC001493807239 919625864 /nfs/dbraw/zinc/62/58/64/919625864.db2.gz XYBCFCUPVKONDB-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001494141530 919663826 /nfs/dbraw/zinc/66/38/26/919663826.db2.gz NFKKJLKFPXUDDG-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001494141530 919663839 /nfs/dbraw/zinc/66/38/39/919663839.db2.gz NFKKJLKFPXUDDG-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001494141530 919663850 /nfs/dbraw/zinc/66/38/50/919663850.db2.gz NFKKJLKFPXUDDG-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CCOCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001494534384 919723318 /nfs/dbraw/zinc/72/33/18/919723318.db2.gz MYOAGPRWXGBSRX-CYBMUJFWSA-N 2 1 285.388 -0.599 20 0 CBADMP CCOCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001494534384 919723323 /nfs/dbraw/zinc/72/33/23/919723323.db2.gz MYOAGPRWXGBSRX-CYBMUJFWSA-N 2 1 285.388 -0.599 20 0 CBADMP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOCCO ZINC001494676103 919769731 /nfs/dbraw/zinc/76/97/31/919769731.db2.gz UEAKEZOOISFORQ-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOCCO ZINC001494676103 919769742 /nfs/dbraw/zinc/76/97/42/919769742.db2.gz UEAKEZOOISFORQ-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOCCO ZINC001494676103 919769750 /nfs/dbraw/zinc/76/97/50/919769750.db2.gz UEAKEZOOISFORQ-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOCCO ZINC001494676103 919769762 /nfs/dbraw/zinc/76/97/62/919769762.db2.gz UEAKEZOOISFORQ-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CCO)C1 ZINC001494856190 919801446 /nfs/dbraw/zinc/80/14/46/919801446.db2.gz LVAIITHFDLCWAR-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](CCO)C1 ZINC001494856190 919801455 /nfs/dbraw/zinc/80/14/55/919801455.db2.gz LVAIITHFDLCWAR-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001494856190 919801461 /nfs/dbraw/zinc/80/14/61/919801461.db2.gz LVAIITHFDLCWAR-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001494849140 919804719 /nfs/dbraw/zinc/80/47/19/919804719.db2.gz WMIWBKCUASFHQT-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001494862967 919809386 /nfs/dbraw/zinc/80/93/86/919809386.db2.gz JVCLQMQFDAZTQW-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001494862967 919809402 /nfs/dbraw/zinc/80/94/02/919809402.db2.gz JVCLQMQFDAZTQW-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001494862967 919809412 /nfs/dbraw/zinc/80/94/12/919809412.db2.gz JVCLQMQFDAZTQW-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001494862967 919809433 /nfs/dbraw/zinc/80/94/33/919809433.db2.gz JVCLQMQFDAZTQW-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1nnnn1C ZINC001495052050 919852608 /nfs/dbraw/zinc/85/26/08/919852608.db2.gz YBMGLSJSGPANPT-WDEREUQCSA-N 2 1 297.407 -0.293 20 0 CBADMP CCCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001495106981 919865947 /nfs/dbraw/zinc/86/59/47/919865947.db2.gz JKCQABIWGSYFIW-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001495541576 919901049 /nfs/dbraw/zinc/90/10/49/919901049.db2.gz ZPJPSYRRGZMGFS-ZDUSSCGKSA-N 2 1 296.415 -0.358 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001495706372 919931428 /nfs/dbraw/zinc/93/14/28/919931428.db2.gz PRVDYELMMUUJKW-KOLCDFICSA-N 2 1 281.360 -0.593 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)N1CCC1 ZINC001495809740 919948466 /nfs/dbraw/zinc/94/84/66/919948466.db2.gz TVJMWNLOKWQROC-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)CCc1cnc[nH]1 ZINC001496077423 920023887 /nfs/dbraw/zinc/02/38/87/920023887.db2.gz DOQNRORRSAUJAV-SECBINFHSA-N 2 1 267.333 -0.736 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496230031 920049290 /nfs/dbraw/zinc/04/92/90/920049290.db2.gz PDNOTGXLQKYUGU-MNOVXSKESA-N 2 1 295.391 -0.902 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496230031 920049304 /nfs/dbraw/zinc/04/93/04/920049304.db2.gz PDNOTGXLQKYUGU-MNOVXSKESA-N 2 1 295.391 -0.902 20 0 CBADMP CC/C=C\CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001496963030 920181579 /nfs/dbraw/zinc/18/15/79/920181579.db2.gz ZIAJYUSAULRIHL-MRYXHSKJSA-N 2 1 299.415 -0.260 20 0 CBADMP CC/C=C\CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001496963030 920181592 /nfs/dbraw/zinc/18/15/92/920181592.db2.gz ZIAJYUSAULRIHL-MRYXHSKJSA-N 2 1 299.415 -0.260 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCCF ZINC001497001009 920201590 /nfs/dbraw/zinc/20/15/90/920201590.db2.gz GJBHQUBZTQXGLD-RYUDHWBXSA-N 2 1 275.368 -0.103 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]CC1CC1 ZINC001497108942 920249688 /nfs/dbraw/zinc/24/96/88/920249688.db2.gz BYEOFOLEEGXBKD-GFCCVEGCSA-N 2 1 266.345 -0.332 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC2CC2)C1 ZINC001497113224 920251982 /nfs/dbraw/zinc/25/19/82/920251982.db2.gz IEZLIQPHDAEBPR-NWDGAFQWSA-N 2 1 255.362 -0.585 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001497119342 920252902 /nfs/dbraw/zinc/25/29/02/920252902.db2.gz UNGRJJSPZVAMKF-STQMWFEESA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001497119342 920252917 /nfs/dbraw/zinc/25/29/17/920252917.db2.gz UNGRJJSPZVAMKF-STQMWFEESA-N 2 1 285.388 -0.816 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001497362799 920294182 /nfs/dbraw/zinc/29/41/82/920294182.db2.gz VBGFSZBKDKSEHU-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CCN(CC[NH2+]C[C@@H](O)COC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497495295 920313684 /nfs/dbraw/zinc/31/36/84/920313684.db2.gz CKQPVDHICSBTOS-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP CNC(=O)C[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001497600586 920349488 /nfs/dbraw/zinc/34/94/88/920349488.db2.gz KNKBVKXIWOVAAY-DHCBQETCSA-N 2 1 296.415 -0.131 20 0 CBADMP CNC(=O)C[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001497600589 920349940 /nfs/dbraw/zinc/34/99/40/920349940.db2.gz KNKBVKXIWOVAAY-SCOBNMCVSA-N 2 1 296.415 -0.131 20 0 CBADMP CN1CC[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001497651287 920364417 /nfs/dbraw/zinc/36/44/17/920364417.db2.gz WAWPHQPNJLREKR-FGTRRKKMSA-N 2 1 294.399 -0.427 20 0 CBADMP CCOCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001497798209 920388620 /nfs/dbraw/zinc/38/86/20/920388620.db2.gz ASQCHTYBSJKKGF-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001497798209 920388631 /nfs/dbraw/zinc/38/86/31/920388631.db2.gz ASQCHTYBSJKKGF-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CNCc1nncn1C ZINC001497992911 920432806 /nfs/dbraw/zinc/43/28/06/920432806.db2.gz ISJZUPTYTSATDK-LLVKDONJSA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1nncn1C ZINC001497992911 920432819 /nfs/dbraw/zinc/43/28/19/920432819.db2.gz ISJZUPTYTSATDK-LLVKDONJSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498045313 920458303 /nfs/dbraw/zinc/45/83/03/920458303.db2.gz OVRWQXVYEDWDQA-DMDPSCGWSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001498045313 920458307 /nfs/dbraw/zinc/45/83/07/920458307.db2.gz OVRWQXVYEDWDQA-DMDPSCGWSA-N 2 1 294.403 -0.250 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001498064090 920468201 /nfs/dbraw/zinc/46/82/01/920468201.db2.gz GXUYOWHHPOCKOC-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CCn1ncc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001498104452 920483040 /nfs/dbraw/zinc/48/30/40/920483040.db2.gz DAMGXILOVNWBBJ-NSHDSACASA-N 2 1 282.392 -0.156 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001498118633 920489389 /nfs/dbraw/zinc/48/93/89/920489389.db2.gz UHQYKRKMHNWMST-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001498393355 920572963 /nfs/dbraw/zinc/57/29/63/920572963.db2.gz IRGSUIKDKREXIJ-VHSXEESVSA-N 2 1 258.366 -0.752 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001498393355 920572979 /nfs/dbraw/zinc/57/29/79/920572979.db2.gz IRGSUIKDKREXIJ-VHSXEESVSA-N 2 1 258.366 -0.752 20 0 CBADMP C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CC[NH+](C)C ZINC001498393353 920573129 /nfs/dbraw/zinc/57/31/29/920573129.db2.gz IRGSUIKDKREXIJ-UWVGGRQHSA-N 2 1 258.366 -0.752 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CC[NH+](C)C ZINC001498393353 920573139 /nfs/dbraw/zinc/57/31/39/920573139.db2.gz IRGSUIKDKREXIJ-UWVGGRQHSA-N 2 1 258.366 -0.752 20 0 CBADMP C[NH+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001498390343 920574348 /nfs/dbraw/zinc/57/43/48/920574348.db2.gz HDPFQHQMUGCVPM-LBPRGKRZSA-N 2 1 282.388 -0.641 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC(NC(=O)CC[N@H+](C)CC)C1 ZINC001498414548 920579717 /nfs/dbraw/zinc/57/97/17/920579717.db2.gz YRAWRMXRCQCAKS-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NC1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001498414548 920579731 /nfs/dbraw/zinc/57/97/31/920579731.db2.gz YRAWRMXRCQCAKS-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NC1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001498414548 920579742 /nfs/dbraw/zinc/57/97/42/920579742.db2.gz YRAWRMXRCQCAKS-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001498568823 920608423 /nfs/dbraw/zinc/60/84/23/920608423.db2.gz ZYMWRBQGQRRMTF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001498655971 920624118 /nfs/dbraw/zinc/62/41/18/920624118.db2.gz XPIJQSUMFAOFTD-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001499230591 920726096 /nfs/dbraw/zinc/72/60/96/920726096.db2.gz ABVWNKXXXHDHMH-UTUOFQBUSA-N 2 1 294.399 -0.547 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@H](C)COC)CC2)C1 ZINC001499454975 920750284 /nfs/dbraw/zinc/75/02/84/920750284.db2.gz CCHCRTDTDZWBDT-OLZOCXBDSA-N 2 1 299.415 -0.020 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@H](C)COC)CC2)C1 ZINC001499454975 920750297 /nfs/dbraw/zinc/75/02/97/920750297.db2.gz CCHCRTDTDZWBDT-OLZOCXBDSA-N 2 1 299.415 -0.020 20 0 CBADMP C[NH+]1CCC(OCC(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)CC1 ZINC001500272288 920823223 /nfs/dbraw/zinc/82/32/23/920823223.db2.gz MKNIYDWSPLPKRH-HNNXBMFYSA-N 2 1 299.415 -0.330 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@H+](CCO)C1 ZINC001500288720 920825079 /nfs/dbraw/zinc/82/50/79/920825079.db2.gz BYMNNTALLUZBQJ-CYBMUJFWSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001500288720 920825088 /nfs/dbraw/zinc/82/50/88/920825088.db2.gz BYMNNTALLUZBQJ-CYBMUJFWSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@H+](CCO)C1 ZINC001500288721 920826569 /nfs/dbraw/zinc/82/65/69/920826569.db2.gz BYMNNTALLUZBQJ-ZDUSSCGKSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001500288721 920826578 /nfs/dbraw/zinc/82/65/78/920826578.db2.gz BYMNNTALLUZBQJ-ZDUSSCGKSA-N 2 1 266.345 -0.236 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500762826 920877745 /nfs/dbraw/zinc/87/77/45/920877745.db2.gz PVOFMOQZDBHNLY-JSGCOSHPSA-N 2 1 285.388 -0.984 20 0 CBADMP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001501051086 920939321 /nfs/dbraw/zinc/93/93/21/920939321.db2.gz RHAZTOSBRLUQJQ-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCF ZINC001501481863 921027292 /nfs/dbraw/zinc/02/72/92/921027292.db2.gz IYHMNHJYAGXUHY-LLVKDONJSA-N 2 1 261.341 -0.539 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001507329478 921811381 /nfs/dbraw/zinc/81/13/81/921811381.db2.gz VJRIBPMYMHBIAI-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001507329474 921812721 /nfs/dbraw/zinc/81/27/21/921812721.db2.gz VJRIBPMYMHBIAI-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C1CC([NH2+]CCO)C1 ZINC001508145724 921916732 /nfs/dbraw/zinc/91/67/32/921916732.db2.gz QHZGDGBKYBGEIT-UHFFFAOYSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001508228879 921921059 /nfs/dbraw/zinc/92/10/59/921921059.db2.gz JCQNUASPBQIRMX-UHFFFAOYSA-N 2 1 282.388 -0.440 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001508228879 921921067 /nfs/dbraw/zinc/92/10/67/921921067.db2.gz JCQNUASPBQIRMX-UHFFFAOYSA-N 2 1 282.388 -0.440 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001508228879 921921077 /nfs/dbraw/zinc/92/10/77/921921077.db2.gz JCQNUASPBQIRMX-UHFFFAOYSA-N 2 1 282.388 -0.440 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001508228879 921921086 /nfs/dbraw/zinc/92/10/86/921921086.db2.gz JCQNUASPBQIRMX-UHFFFAOYSA-N 2 1 282.388 -0.440 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@H](CO)C1 ZINC001515357589 922230453 /nfs/dbraw/zinc/23/04/53/922230453.db2.gz HAGPPAAVYRERFX-DCAQKATOSA-N 2 1 255.362 -0.505 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@H](CO)C1 ZINC001515357589 922230472 /nfs/dbraw/zinc/23/04/72/922230472.db2.gz HAGPPAAVYRERFX-DCAQKATOSA-N 2 1 255.362 -0.505 20 0 CBADMP C[C@@H](NC(=O)C1([NH3+])CCC1)[C@H]1C[N@@H+](C)CCN1C ZINC001515357822 922232634 /nfs/dbraw/zinc/23/26/34/922232634.db2.gz ITFUSTHCNNSMOY-GHMZBOCLSA-N 2 1 254.378 -0.382 20 0 CBADMP C[N@H+](CCNc1cc[nH+]c(N)n1)CCOCCO ZINC001515969194 922247154 /nfs/dbraw/zinc/24/71/54/922247154.db2.gz OSPFUYJFQXLJDS-UHFFFAOYSA-N 2 1 255.322 -0.589 20 0 CBADMP C[N@@H+](CCNc1cc[nH+]c(N)n1)CCOCCO ZINC001515969194 922247169 /nfs/dbraw/zinc/24/71/69/922247169.db2.gz OSPFUYJFQXLJDS-UHFFFAOYSA-N 2 1 255.322 -0.589 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC12CC[NH+](CC1)C2 ZINC001520374333 922307117 /nfs/dbraw/zinc/30/71/17/922307117.db2.gz TULNLCYHXURNQA-NWDGAFQWSA-N 2 1 264.373 -0.661 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)CC[N@H+]1C ZINC001520694930 922317969 /nfs/dbraw/zinc/31/79/69/922317969.db2.gz LNVDCQCCKLVTMP-LPWJVIDDSA-N 2 1 266.389 -0.417 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC[NH+]1C ZINC001520694930 922317982 /nfs/dbraw/zinc/31/79/82/922317982.db2.gz LNVDCQCCKLVTMP-LPWJVIDDSA-N 2 1 266.389 -0.417 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC[NH+]1C ZINC001520694930 922317993 /nfs/dbraw/zinc/31/79/93/922317993.db2.gz LNVDCQCCKLVTMP-LPWJVIDDSA-N 2 1 266.389 -0.417 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C[C@H](O)C[NH3+])C1 ZINC001521482884 922361816 /nfs/dbraw/zinc/36/18/16/922361816.db2.gz XMRBAADROCWCLI-NEPJUHHUSA-N 2 1 257.378 -0.210 20 0 CBADMP C[C@@]1(C(=O)N2CC[NH+](C3CCC3)CC2)C[C@H](O)C[NH2+]1 ZINC001521482050 922362071 /nfs/dbraw/zinc/36/20/71/922362071.db2.gz CSFPYJIHZVOXHH-JSGCOSHPSA-N 2 1 267.373 -0.204 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001521495799 922362186 /nfs/dbraw/zinc/36/21/86/922362186.db2.gz LGEXKXQHKQMIPC-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001521526668 922364751 /nfs/dbraw/zinc/36/47/51/922364751.db2.gz FTVKEDYBMCTYML-IJLUTSLNSA-N 2 1 252.362 -0.676 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1([NH+](C)C)CC1 ZINC001521666488 922373833 /nfs/dbraw/zinc/37/38/33/922373833.db2.gz LNTAYWRLASASPP-RYUDHWBXSA-N 2 1 266.389 -0.415 20 0 CBADMP C[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001521707125 922378955 /nfs/dbraw/zinc/37/89/55/922378955.db2.gz ZTICIOWKOXWGRZ-NEPJUHHUSA-N 2 1 254.378 -0.557 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)C1 ZINC001522310281 922407015 /nfs/dbraw/zinc/40/70/15/922407015.db2.gz AQHHYKATYKENFD-GXFFZTMASA-N 2 1 266.345 -0.676 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001522696611 922505088 /nfs/dbraw/zinc/50/50/88/922505088.db2.gz DOEVVMPCXAQINQ-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001522696611 922505101 /nfs/dbraw/zinc/50/51/01/922505101.db2.gz DOEVVMPCXAQINQ-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001522696611 922505116 /nfs/dbraw/zinc/50/51/16/922505116.db2.gz DOEVVMPCXAQINQ-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@H](C(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001522765411 922516894 /nfs/dbraw/zinc/51/68/94/922516894.db2.gz TWMCCMGJXKFTQJ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCCNC(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001522793391 922523323 /nfs/dbraw/zinc/52/33/23/922523323.db2.gz AOJSWXMBCLBTGO-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001523475512 922595915 /nfs/dbraw/zinc/59/59/15/922595915.db2.gz XHJJUWQIGYWYDA-WPRPVWTQSA-N 2 1 267.333 -0.859 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H](CO)C1 ZINC001524029560 922613077 /nfs/dbraw/zinc/61/30/77/922613077.db2.gz PESLBHZFCWTKTN-TUAOUCFPSA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H](CO)C1 ZINC001524029560 922613085 /nfs/dbraw/zinc/61/30/85/922613085.db2.gz PESLBHZFCWTKTN-TUAOUCFPSA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@@H+]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)[C@@H](CO)C1 ZINC001524029237 922613262 /nfs/dbraw/zinc/61/32/62/922613262.db2.gz KLSYGQSUPCZOCY-MBHSVXNSSA-N 2 1 267.373 -0.347 20 0 CBADMP C[N@H+]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)[C@@H](CO)C1 ZINC001524029237 922613273 /nfs/dbraw/zinc/61/32/73/922613273.db2.gz KLSYGQSUPCZOCY-MBHSVXNSSA-N 2 1 267.373 -0.347 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)[C@@H]1C[N@@H+](C)CCN1C ZINC001524029769 922615412 /nfs/dbraw/zinc/61/54/12/922615412.db2.gz SJNIMEAECGBJBG-QNWJLWSRSA-N 2 1 266.389 -0.655 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001530448844 922939306 /nfs/dbraw/zinc/93/93/06/922939306.db2.gz OMLOQAMHKQULAL-GFCCVEGCSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001530448844 922939316 /nfs/dbraw/zinc/93/93/16/922939316.db2.gz OMLOQAMHKQULAL-GFCCVEGCSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001530448844 922939328 /nfs/dbraw/zinc/93/93/28/922939328.db2.gz OMLOQAMHKQULAL-GFCCVEGCSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001548547971 923370987 /nfs/dbraw/zinc/37/09/87/923370987.db2.gz LSWREQPMQCBHSH-OLZOCXBDSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001548547977 923371957 /nfs/dbraw/zinc/37/19/57/923371957.db2.gz LSWREQPMQCBHSH-STQMWFEESA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001548547966 923372506 /nfs/dbraw/zinc/37/25/06/923372506.db2.gz LSWREQPMQCBHSH-CHWSQXEVSA-N 2 1 268.405 -0.119 20 0 CBADMP [NH3+]C[C@@H](O)CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC001548553726 923374517 /nfs/dbraw/zinc/37/45/17/923374517.db2.gz OEVGXTWUDPQTEW-OLZOCXBDSA-N 2 1 285.388 -0.591 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC[N@H+]1C ZINC001548552181 923376816 /nfs/dbraw/zinc/37/68/16/923376816.db2.gz FAFWTXCRGUGVAU-OPDFLTKYSA-N 2 1 267.373 -0.036 20 0 CBADMP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC001548559593 923382901 /nfs/dbraw/zinc/38/29/01/923382901.db2.gz XZQTUISQGDPAKF-ZIAGYGMSSA-N 2 1 289.383 -0.542 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001548558384 923384663 /nfs/dbraw/zinc/38/46/63/923384663.db2.gz IOMAYFDJSUEYKW-OAHLLOKOSA-N 2 1 299.415 -0.328 20 0 CBADMP O=C(NCC[C@H]1CSCC[NH2+]1)[C@H]1COCC[NH2+]1 ZINC001548562446 923386629 /nfs/dbraw/zinc/38/66/29/923386629.db2.gz DAOCUBXTKWWNBY-VHSXEESVSA-N 2 1 259.375 -0.814 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548635606 923414551 /nfs/dbraw/zinc/41/45/51/923414551.db2.gz HQMRYXDKDCMWNO-DGCLKSJQSA-N 2 1 277.372 -0.304 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001548635606 923414558 /nfs/dbraw/zinc/41/45/58/923414558.db2.gz HQMRYXDKDCMWNO-DGCLKSJQSA-N 2 1 277.372 -0.304 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC001548630669 923416556 /nfs/dbraw/zinc/41/65/56/923416556.db2.gz JZEVPQCFOVIBFF-IPYPFGDCSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001548630669 923416566 /nfs/dbraw/zinc/41/65/66/923416566.db2.gz JZEVPQCFOVIBFF-IPYPFGDCSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001548630669 923416573 /nfs/dbraw/zinc/41/65/73/923416573.db2.gz JZEVPQCFOVIBFF-IPYPFGDCSA-N 2 1 292.427 -0.025 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548635608 923416802 /nfs/dbraw/zinc/41/68/02/923416802.db2.gz HQMRYXDKDCMWNO-YPMHNXCESA-N 2 1 277.372 -0.304 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001548635608 923416811 /nfs/dbraw/zinc/41/68/11/923416811.db2.gz HQMRYXDKDCMWNO-YPMHNXCESA-N 2 1 277.372 -0.304 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC001548630670 923417405 /nfs/dbraw/zinc/41/74/05/923417405.db2.gz JZEVPQCFOVIBFF-NFAWXSAZSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001548630670 923417417 /nfs/dbraw/zinc/41/74/17/923417417.db2.gz JZEVPQCFOVIBFF-NFAWXSAZSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001548630670 923417427 /nfs/dbraw/zinc/41/74/27/923417427.db2.gz JZEVPQCFOVIBFF-NFAWXSAZSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001548640575 923423151 /nfs/dbraw/zinc/42/31/51/923423151.db2.gz WXIHGWSBIYRIIX-RDBSUJKOSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001548645012 923428495 /nfs/dbraw/zinc/42/84/95/923428495.db2.gz WXZLFTWFTXQPKL-TZMCWYRMSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC001548644738 923429111 /nfs/dbraw/zinc/42/91/11/923429111.db2.gz WBINMDPLKRTHTN-BPLDGKMQSA-N 2 1 292.427 -0.073 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CCCOCC1 ZINC001548689893 923452043 /nfs/dbraw/zinc/45/20/43/923452043.db2.gz IUWLKYYCRYPZMM-UONOGXRCSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@@H+]1CCCOCC1 ZINC001548689893 923452056 /nfs/dbraw/zinc/45/20/56/923452056.db2.gz IUWLKYYCRYPZMM-UONOGXRCSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@H+]1CCCOCC1 ZINC001548689893 923452067 /nfs/dbraw/zinc/45/20/67/923452067.db2.gz IUWLKYYCRYPZMM-UONOGXRCSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC001548708149 923462758 /nfs/dbraw/zinc/46/27/58/923462758.db2.gz JWXNQMBYFNLPBB-YIYPIFLZSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC001548708149 923462765 /nfs/dbraw/zinc/46/27/65/923462765.db2.gz JWXNQMBYFNLPBB-YIYPIFLZSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC001548708149 923462777 /nfs/dbraw/zinc/46/27/77/923462777.db2.gz JWXNQMBYFNLPBB-YIYPIFLZSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC001548708148 923464669 /nfs/dbraw/zinc/46/46/69/923464669.db2.gz JWXNQMBYFNLPBB-XJFOESAGSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001548708148 923464681 /nfs/dbraw/zinc/46/46/81/923464681.db2.gz JWXNQMBYFNLPBB-XJFOESAGSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001548708148 923464693 /nfs/dbraw/zinc/46/46/93/923464693.db2.gz JWXNQMBYFNLPBB-XJFOESAGSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC001548708150 923464775 /nfs/dbraw/zinc/46/47/75/923464775.db2.gz JWXNQMBYFNLPBB-ZOBORPQBSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001548708150 923464789 /nfs/dbraw/zinc/46/47/89/923464789.db2.gz JWXNQMBYFNLPBB-ZOBORPQBSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001548708150 923464802 /nfs/dbraw/zinc/46/48/02/923464802.db2.gz JWXNQMBYFNLPBB-ZOBORPQBSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC001548716611 923468956 /nfs/dbraw/zinc/46/89/56/923468956.db2.gz VTORLDQXYUTPDD-FQUUOJAGSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001548716611 923468963 /nfs/dbraw/zinc/46/89/63/923468963.db2.gz VTORLDQXYUTPDD-FQUUOJAGSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001548716611 923468971 /nfs/dbraw/zinc/46/89/71/923468971.db2.gz VTORLDQXYUTPDD-FQUUOJAGSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC001548716612 923469036 /nfs/dbraw/zinc/46/90/36/923469036.db2.gz VTORLDQXYUTPDD-IGQOVBAYSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001548716612 923469045 /nfs/dbraw/zinc/46/90/45/923469045.db2.gz VTORLDQXYUTPDD-IGQOVBAYSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001548716612 923469056 /nfs/dbraw/zinc/46/90/56/923469056.db2.gz VTORLDQXYUTPDD-IGQOVBAYSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC001548723059 923477158 /nfs/dbraw/zinc/47/71/58/923477158.db2.gz CJYQABMLLZXVLI-BARDWOONSA-N 2 1 292.427 -0.073 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC001548723059 923477164 /nfs/dbraw/zinc/47/71/64/923477164.db2.gz CJYQABMLLZXVLI-BARDWOONSA-N 2 1 292.427 -0.073 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC001549043663 923528900 /nfs/dbraw/zinc/52/89/00/923528900.db2.gz QAFVHOSITSKHPU-RYUDHWBXSA-N 2 1 293.371 -0.729 20 0 CBADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001549044059 923529620 /nfs/dbraw/zinc/52/96/20/923529620.db2.gz XAKATJFBLAUGBG-ZIAGYGMSSA-N 3 1 280.416 -0.260 20 0 CBADMP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC001549044059 923529633 /nfs/dbraw/zinc/52/96/33/923529633.db2.gz XAKATJFBLAUGBG-ZIAGYGMSSA-N 2 1 280.416 -0.260 20 0 CBADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC001549044059 923529644 /nfs/dbraw/zinc/52/96/44/923529644.db2.gz XAKATJFBLAUGBG-ZIAGYGMSSA-N 2 1 280.416 -0.260 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC001549043664 923530840 /nfs/dbraw/zinc/53/08/40/923530840.db2.gz QAFVHOSITSKHPU-VXGBXAGGSA-N 2 1 293.371 -0.729 20 0 CBADMP [NH3+]Cc1nc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cs1 ZINC001549044258 923531914 /nfs/dbraw/zinc/53/19/14/923531914.db2.gz HURNGPOAYZPOBV-JTQLQIEISA-N 2 1 295.412 -0.279 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC001549045223 923540491 /nfs/dbraw/zinc/54/04/91/923540491.db2.gz ORSAIVRSGAQQKF-RYUDHWBXSA-N 2 1 277.372 -0.107 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549049179 923546843 /nfs/dbraw/zinc/54/68/43/923546843.db2.gz CQSYCMVNWGZPNT-RYDUCSDGSA-N 2 1 293.371 -0.950 20 0 CBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)[C@@H]2C1 ZINC001549126034 923560148 /nfs/dbraw/zinc/56/01/48/923560148.db2.gz YYNUKXUYABSXMS-CXTNEJHOSA-N 2 1 295.383 -0.846 20 0 CBADMP CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H]1CC[N@@H+](C)C1 ZINC001549211094 923569522 /nfs/dbraw/zinc/56/95/22/923569522.db2.gz TYTYDBMYBDJQGU-RYUDHWBXSA-N 2 1 270.377 -0.290 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1OCC[C@H]1C[NH3+] ZINC001549292541 923580718 /nfs/dbraw/zinc/58/07/18/923580718.db2.gz BVGBHFOYPMEBKI-SDDRHHMPSA-N 2 1 293.371 -0.743 20 0 CBADMP C[NH2+]CC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549290324 923581420 /nfs/dbraw/zinc/58/14/20/923581420.db2.gz LJOXLKXADYTONF-NEPJUHHUSA-N 2 1 267.373 -0.035 20 0 CBADMP CO[C@@H]1C[C@@H](C(=O)NC2CC(N3CCOCC3)C2)[N@@H+](C)C1 ZINC001549624178 923617762 /nfs/dbraw/zinc/61/77/62/923617762.db2.gz PDPDXQXCCHXDID-PQAZSJQKSA-N 2 1 297.399 -0.315 20 0 CBADMP CO[C@@H]1C[C@@H](C(=O)NC2CC(N3CCOCC3)C2)N(C)C1 ZINC001549624178 923617768 /nfs/dbraw/zinc/61/77/68/923617768.db2.gz PDPDXQXCCHXDID-PQAZSJQKSA-N 2 1 297.399 -0.315 20 0 CBADMP O=C(NCc1cnn2c1C[NH2+]CC2)[C@@H]1CCC[NH2+]CC1 ZINC001549722973 923631054 /nfs/dbraw/zinc/63/10/54/923631054.db2.gz ZGJIJGLDDFUIEP-LLVKDONJSA-N 2 1 277.372 -0.008 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549741495 923638824 /nfs/dbraw/zinc/63/88/24/923638824.db2.gz ZMQMFJSHKQBOBR-RYUDHWBXSA-N 2 1 288.355 -0.122 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549741189 923639789 /nfs/dbraw/zinc/63/97/89/923639789.db2.gz YAOWJPJSUVXJRO-RYUDHWBXSA-N 2 1 288.355 -0.122 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3C[NH3+])CC[C@@H]21 ZINC001549883664 923644822 /nfs/dbraw/zinc/64/48/22/923644822.db2.gz VROGXJJOFUOARI-FVCCEPFGSA-N 2 1 267.373 -0.097 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC[C@H]21 ZINC001549883207 923645133 /nfs/dbraw/zinc/64/51/33/923645133.db2.gz JWZADYYIIRYYDU-BHPKHCPMSA-N 2 1 279.384 -0.225 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001550059642 923657471 /nfs/dbraw/zinc/65/74/71/923657471.db2.gz FKPWKVISNZXZTE-VXGBXAGGSA-N 2 1 264.329 -0.219 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CCC1C[NH2+]C1 ZINC001550059107 923657539 /nfs/dbraw/zinc/65/75/39/923657539.db2.gz AFWKOABJJDDZAC-GFCCVEGCSA-N 2 1 277.372 -0.107 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC001550060555 923664225 /nfs/dbraw/zinc/66/42/25/923664225.db2.gz LACCMGQZJFZBOL-GRYCIOLGSA-N 2 1 295.362 -0.159 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC001550060558 923664557 /nfs/dbraw/zinc/66/45/57/923664557.db2.gz LACCMGQZJFZBOL-SDDRHHMPSA-N 2 1 295.362 -0.159 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC001550095244 923678183 /nfs/dbraw/zinc/67/81/83/923678183.db2.gz HRRZWJNLPGJFDQ-DGCLKSJQSA-N 2 1 292.387 -0.148 20 0 CBADMP CO[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC001550103706 923683625 /nfs/dbraw/zinc/68/36/25/923683625.db2.gz HAGXLVGWXYMOSL-VOAKCMCISA-N 2 1 267.373 -0.084 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)CC3([NH3+])CC3)C2)CC1 ZINC001550117393 923689574 /nfs/dbraw/zinc/68/95/74/923689574.db2.gz ZRLTUWXMCLMBQE-GFCCVEGCSA-N 2 1 266.389 -0.284 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[C@@]34CC[NH2+]C4)C2)CC1 ZINC001550117101 923690472 /nfs/dbraw/zinc/69/04/72/923690472.db2.gz UZFLPTXNJQRROJ-IIAWOOMASA-N 2 1 292.427 -0.166 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001550122406 923695296 /nfs/dbraw/zinc/69/52/96/923695296.db2.gz GDUALWWLFOFSFZ-RMRHIDDWSA-N 2 1 279.384 -0.083 20 0 CBADMP O=C([C@H]1COCC[NH2+]1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001550236037 923714698 /nfs/dbraw/zinc/71/46/98/923714698.db2.gz IONKBUGNBOZSPI-TZMCWYRMSA-N 2 1 267.373 -0.033 20 0 CBADMP CN1CCN(CC(=O)N2C[C@@H]3CC[N@@H+](C)C[C@H]3C2)CC1 ZINC001550320528 923716414 /nfs/dbraw/zinc/71/64/14/923716414.db2.gz HDLRAZAQIMKFTC-KBPBESRZSA-N 2 1 280.416 -0.356 20 0 CBADMP C[NH+]1CCN(CC(=O)N2C[C@@H]3CC[N@H+](C)C[C@H]3C2)CC1 ZINC001550320528 923716427 /nfs/dbraw/zinc/71/64/27/923716427.db2.gz HDLRAZAQIMKFTC-KBPBESRZSA-N 2 1 280.416 -0.356 20 0 CBADMP C[NH+]1CCN(CC(=O)N2C[C@@H]3CC[N@@H+](C)C[C@H]3C2)CC1 ZINC001550320528 923716433 /nfs/dbraw/zinc/71/64/33/923716433.db2.gz HDLRAZAQIMKFTC-KBPBESRZSA-N 2 1 280.416 -0.356 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550286627 923716967 /nfs/dbraw/zinc/71/69/67/923716967.db2.gz VKAULQIGOXSCEJ-GSPSYOTPSA-N 2 1 296.415 -0.117 20 0 CBADMP [NH3+][C@H]1C[C@@H]([N@H+]2CC[C@@H](CN3CCCC3=O)C2)[C@@H](O)C1 ZINC001550437273 923731550 /nfs/dbraw/zinc/73/15/50/923731550.db2.gz VSCCWHRVVNAGJN-XQHKEYJVSA-N 2 1 267.373 -0.219 20 0 CBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)[C@@H]2C1 ZINC001550717942 923737254 /nfs/dbraw/zinc/73/72/54/923737254.db2.gz BVSNQOLFTKLQOR-BJJPWKGXSA-N 2 1 295.383 -0.563 20 0 CBADMP O[C@@H]1C[C@@H]2CN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC[N@H+]2C1 ZINC001550704225 923739115 /nfs/dbraw/zinc/73/91/15/923739115.db2.gz YRCDLDJUKWCDCM-APIJFGDWSA-N 2 1 281.400 -0.494 20 0 CBADMP O=C1CC[C@H](NC[C@@H]2C[C@@H](F)C[NH2+]2)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550914527 923754084 /nfs/dbraw/zinc/75/40/84/923754084.db2.gz VLDADWNKLPDPQL-UKTARXLSSA-N 2 1 298.406 -0.077 20 0 CBADMP C[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001551397076 923772644 /nfs/dbraw/zinc/77/26/44/923772644.db2.gz ZOCVJIZIMQUCQV-MNOVXSKESA-N 2 1 253.346 -0.425 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551586868 923805335 /nfs/dbraw/zinc/80/53/35/923805335.db2.gz ITIZFKMOIVAEII-KTEZZQQRSA-N 2 1 282.388 -0.114 20 0 CBADMP C[C@H](NC(=O)NC1CC2(C[C@@H]2[NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC001551577362 923805813 /nfs/dbraw/zinc/80/58/13/923805813.db2.gz AUTOSODZYHKWFC-BLMOIABJSA-N 2 1 282.388 -0.116 20 0 CBADMP C[C@H](NC(=O)NC1CC2(C[C@@H]2[NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001551577362 923805820 /nfs/dbraw/zinc/80/58/20/923805820.db2.gz AUTOSODZYHKWFC-BLMOIABJSA-N 2 1 282.388 -0.116 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552199741 923856768 /nfs/dbraw/zinc/85/67/68/923856768.db2.gz HVHSCWDJLLEJJZ-YRGRVCCFSA-N 2 1 267.373 -0.320 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552201110 923858089 /nfs/dbraw/zinc/85/80/89/923858089.db2.gz RKGZKOFWNKHRGY-BZPMIXESSA-N 2 1 267.373 -0.320 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552200970 923858217 /nfs/dbraw/zinc/85/82/17/923858217.db2.gz IUYYYTWCIDDARZ-GZBFAFLISA-N 2 1 279.384 -0.177 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552201588 923859383 /nfs/dbraw/zinc/85/93/83/923859383.db2.gz SMXKZEBLJVXSQX-SGMGOOAPSA-N 2 1 283.372 -0.941 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552200749 923859460 /nfs/dbraw/zinc/85/94/60/923859460.db2.gz VWDBVSWILWJWDD-NTZNESFSSA-N 2 1 253.346 -0.567 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552205897 923867771 /nfs/dbraw/zinc/86/77/71/923867771.db2.gz SVXKQVCYUFPBKA-BZPMIXESSA-N 2 1 267.373 -0.177 20 0 CBADMP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CC[N@@H+](C)C1 ZINC001552216681 923870538 /nfs/dbraw/zinc/87/05/38/923870538.db2.gz WMNKEEGSLXPIHM-GHMZBOCLSA-N 2 1 278.360 -0.411 20 0 CBADMP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CC[N@@H+](C)C1 ZINC001552216683 923871659 /nfs/dbraw/zinc/87/16/59/923871659.db2.gz WMNKEEGSLXPIHM-MNOVXSKESA-N 2 1 278.360 -0.411 20 0 CBADMP C[N@@H+]1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1(C)C ZINC001552280389 923879266 /nfs/dbraw/zinc/87/92/66/923879266.db2.gz ARNHPSRDJMPXQD-LLVKDONJSA-N 2 1 292.387 -0.021 20 0 CBADMP C[N@H+]1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1(C)C ZINC001552280389 923879275 /nfs/dbraw/zinc/87/92/75/923879275.db2.gz ARNHPSRDJMPXQD-LLVKDONJSA-N 2 1 292.387 -0.021 20 0 CBADMP N[C@H]1CN(C(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001552282738 923879513 /nfs/dbraw/zinc/87/95/13/923879513.db2.gz NQGDHEACEAOZAI-KKOKHZNYSA-N 2 1 252.362 -0.881 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC001552434358 923904061 /nfs/dbraw/zinc/90/40/61/923904061.db2.gz LXVMNQRENMSUNL-LLVKDONJSA-N 2 1 292.387 -0.116 20 0 CBADMP CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C[C@H]21 ZINC001552719712 923915251 /nfs/dbraw/zinc/91/52/51/923915251.db2.gz YZNHDCBQTHMLKR-BFHYXJOUSA-N 2 1 295.383 -0.561 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001552955959 923927375 /nfs/dbraw/zinc/92/73/75/923927375.db2.gz QFIIIAXEEIMFEZ-CHWSQXEVSA-N 2 1 283.420 -0.245 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC001552973599 923931297 /nfs/dbraw/zinc/93/12/97/923931297.db2.gz RDKPTSIENXTOQC-YEKKKDRXSA-N 3 1 278.400 -0.239 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2C[C@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC001552978169 923932594 /nfs/dbraw/zinc/93/25/94/923932594.db2.gz OSMGEDUEWXFXNU-CHWSQXEVSA-N 2 1 280.416 -0.500 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC001553026065 923935238 /nfs/dbraw/zinc/93/52/38/923935238.db2.gz LMTMDNYEAJJBNJ-NEPJUHHUSA-N 2 1 257.378 -0.590 20 0 CBADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001553301852 923946492 /nfs/dbraw/zinc/94/64/92/923946492.db2.gz LSDCGDZWRUUICB-XUXIUFHCSA-N 2 1 251.374 -0.094 20 0 CBADMP Cn1nc2n(c1=O)CC[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001553317094 923949189 /nfs/dbraw/zinc/94/91/89/923949189.db2.gz WIVBXLVQNUDSNC-YOGCLGLASA-N 2 1 277.372 -0.072 20 0 CBADMP Cn1nc2n(c1=O)CC[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001553317094 923949199 /nfs/dbraw/zinc/94/91/99/923949199.db2.gz WIVBXLVQNUDSNC-YOGCLGLASA-N 2 1 277.372 -0.072 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)CC1 ZINC001553346239 923950112 /nfs/dbraw/zinc/95/01/12/923950112.db2.gz ZWFDUBBQNUJBMX-HIFRSBDPSA-N 2 1 294.399 -0.782 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)CC1 ZINC001553346239 923950119 /nfs/dbraw/zinc/95/01/19/923950119.db2.gz ZWFDUBBQNUJBMX-HIFRSBDPSA-N 2 1 294.399 -0.782 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)NCC3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553350764 923953324 /nfs/dbraw/zinc/95/33/24/923953324.db2.gz VKTFOWBHCHHUKA-UKRRQHHQSA-N 3 1 280.416 -0.357 20 0 CBADMP CN1CC[C@@]2(C(=O)NCC3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553350764 923953333 /nfs/dbraw/zinc/95/33/33/923953333.db2.gz VKTFOWBHCHHUKA-UKRRQHHQSA-N 2 1 280.416 -0.357 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CC[C@H]([NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553347513 923953433 /nfs/dbraw/zinc/95/34/33/923953433.db2.gz GMVSPRCFLHPEAO-MDZLAQPJSA-N 3 1 252.362 -0.913 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CC[C@H]([NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553347513 923953440 /nfs/dbraw/zinc/95/34/40/923953440.db2.gz GMVSPRCFLHPEAO-MDZLAQPJSA-N 3 1 252.362 -0.913 20 0 CBADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553350050 923953574 /nfs/dbraw/zinc/95/35/74/923953574.db2.gz RNEQJJSWGYNUSA-TZMCWYRMSA-N 3 1 266.389 -0.650 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)N3CCC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553350050 923953578 /nfs/dbraw/zinc/95/35/78/923953578.db2.gz RNEQJJSWGYNUSA-TZMCWYRMSA-N 3 1 266.389 -0.650 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC[C@H]3CCCC[NH2+]3)C[NH2+]C[C@@H]2C1 ZINC001553352006 923954081 /nfs/dbraw/zinc/95/40/81/923954081.db2.gz LWTCJUQQKIMZEY-NFAWXSAZSA-N 3 1 280.416 -0.214 20 0 CBADMP CN1CC[C@]2(C(=O)NC[C@H]3CCCC[NH2+]3)C[NH2+]C[C@@H]2C1 ZINC001553352006 923954090 /nfs/dbraw/zinc/95/40/90/923954090.db2.gz LWTCJUQQKIMZEY-NFAWXSAZSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@H]3CCC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553353675 923956483 /nfs/dbraw/zinc/95/64/83/923956483.db2.gz XTTGRRWSAUFMID-OBJOEFQTSA-N 3 1 266.389 -0.604 20 0 CBADMP CN1CC[C@]2(C(=O)N[C@H]3CCC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553353675 923956494 /nfs/dbraw/zinc/95/64/94/923956494.db2.gz XTTGRRWSAUFMID-OBJOEFQTSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC[C@H]3CCC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553355187 923956953 /nfs/dbraw/zinc/95/69/53/923956953.db2.gz UMIBBDMDYBGQGY-YDHLFZDLSA-N 3 1 280.416 -0.357 20 0 CBADMP CN1CC[C@]2(C(=O)NC[C@H]3CCC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553355187 923956968 /nfs/dbraw/zinc/95/69/68/923956968.db2.gz UMIBBDMDYBGQGY-YDHLFZDLSA-N 2 1 280.416 -0.357 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@H]3CC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553355159 923957093 /nfs/dbraw/zinc/95/70/93/923957093.db2.gz UHPYSPGMKIGAQP-GVXVVHGQSA-N 3 1 252.362 -0.994 20 0 CBADMP CN1CC[C@]2(C(=O)N[C@H]3CC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553355159 923957103 /nfs/dbraw/zinc/95/71/03/923957103.db2.gz UHPYSPGMKIGAQP-GVXVVHGQSA-N 2 1 252.362 -0.994 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)CC[NH2+]1 ZINC001553353523 923957145 /nfs/dbraw/zinc/95/71/45/923957145.db2.gz GAPFUADVAKGKSG-DYEKYZERSA-N 3 1 266.389 -0.652 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)CC[NH2+]1 ZINC001553353523 923957156 /nfs/dbraw/zinc/95/71/56/923957156.db2.gz GAPFUADVAKGKSG-DYEKYZERSA-N 3 1 266.389 -0.652 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[NH2+]C[C@H]2C1 ZINC001553354465 923957643 /nfs/dbraw/zinc/95/76/43/923957643.db2.gz PSQICVDTOMMYKP-LLWQXYEOSA-N 3 1 292.427 -0.073 20 0 CBADMP CN1CC[C@@]2(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[NH2+]C[C@H]2C1 ZINC001553354465 923957662 /nfs/dbraw/zinc/95/76/62/923957662.db2.gz PSQICVDTOMMYKP-LLWQXYEOSA-N 2 1 292.427 -0.073 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CC[C@@H](C[NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553355923 923958418 /nfs/dbraw/zinc/95/84/18/923958418.db2.gz PWDZEZMZEDJWND-OBJOEFQTSA-N 3 1 266.389 -0.665 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CC[C@@H](C[NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553355923 923958427 /nfs/dbraw/zinc/95/84/27/923958427.db2.gz PWDZEZMZEDJWND-OBJOEFQTSA-N 3 1 266.389 -0.665 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)CCO1 ZINC001553358644 923960024 /nfs/dbraw/zinc/96/00/24/923960024.db2.gz JDWZGFPIOVSXFQ-PWNZVWSESA-N 3 1 296.415 -0.898 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)CCO1 ZINC001553358644 923960033 /nfs/dbraw/zinc/96/00/33/923960033.db2.gz JDWZGFPIOVSXFQ-PWNZVWSESA-N 3 1 296.415 -0.898 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])C[NH2+]C[C@@H]2C1 ZINC001553357753 923961004 /nfs/dbraw/zinc/96/10/04/923961004.db2.gz MPENAWWBHHGSBC-JLNYLFASSA-N 3 1 280.416 -0.229 20 0 CBADMP CN1CC[C@]2(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])C[NH2+]C[C@@H]2C1 ZINC001553357753 923961014 /nfs/dbraw/zinc/96/10/14/923961014.db2.gz MPENAWWBHHGSBC-JLNYLFASSA-N 2 1 280.416 -0.229 20 0 CBADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCC(C(N)=O)CC3)C[NH2+]C[C@@H]2C1 ZINC001553363053 923965703 /nfs/dbraw/zinc/96/57/03/923965703.db2.gz DWSGQFXDYQAFQG-IUODEOHRSA-N 2 1 294.399 -0.748 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)N3CCC(C(N)=O)CC3)C[NH2+]C[C@@H]2C1 ZINC001553363053 923965716 /nfs/dbraw/zinc/96/57/16/923965716.db2.gz DWSGQFXDYQAFQG-IUODEOHRSA-N 2 1 294.399 -0.748 20 0 CBADMP COCCN(C)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553384511 923968244 /nfs/dbraw/zinc/96/82/44/923968244.db2.gz LVWPWKSEXCUKNN-YPMHNXCESA-N 2 1 255.362 -0.368 20 0 CBADMP COCCN(C)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553384511 923968261 /nfs/dbraw/zinc/96/82/61/923968261.db2.gz LVWPWKSEXCUKNN-YPMHNXCESA-N 2 1 255.362 -0.368 20 0 CBADMP Cn1cc(NC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)ccc1=O ZINC001553395793 923968723 /nfs/dbraw/zinc/96/87/23/923968723.db2.gz WMYYASKKBZUYQT-ABAIWWIYSA-N 2 1 290.367 -0.135 20 0 CBADMP C[C@H](O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553387498 923968916 /nfs/dbraw/zinc/96/89/16/923968916.db2.gz XICCRPANWLZLDP-LOWVWBTDSA-N 2 1 255.362 -0.585 20 0 CBADMP CCNC(=O)[C@H](C)NC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553397869 923972556 /nfs/dbraw/zinc/97/25/56/923972556.db2.gz OTZKRYSLKQWICO-WDMOLILDSA-N 2 1 282.388 -0.832 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[C@@H](O)C3)C[NH2+]C[C@@H]2C1 ZINC001553403057 923975442 /nfs/dbraw/zinc/97/54/42/923975442.db2.gz YOXZYMMDCOPWTD-BHPKHCPMSA-N 2 1 281.400 -0.053 20 0 CBADMP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC001553404609 923977646 /nfs/dbraw/zinc/97/76/46/923977646.db2.gz AWUSKIYRIQOWQR-RNJOBUHISA-N 2 1 265.357 -0.188 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553404276 923977773 /nfs/dbraw/zinc/97/77/73/923977773.db2.gz DEDALIQIZDETBZ-SDDRHHMPSA-N 2 1 253.346 -0.330 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553407114 923979540 /nfs/dbraw/zinc/97/95/40/923979540.db2.gz GUHNONVEMYDCFU-NOOOWODRSA-N 2 1 253.346 -0.284 20 0 CBADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553409568 923983199 /nfs/dbraw/zinc/98/31/99/923983199.db2.gz LZSAAZKXRBQSKQ-RFQIPJPRSA-N 2 1 297.399 -0.579 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553412791 923987976 /nfs/dbraw/zinc/98/79/76/923987976.db2.gz OPHFLRHBZOOPJY-XEZLXBQYSA-N 2 1 265.357 -0.141 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC[N@H+]1C ZINC001553429288 923995409 /nfs/dbraw/zinc/99/54/09/923995409.db2.gz JYVXALIUESVIDK-PZWNZHSQSA-N 2 1 253.346 -0.285 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001553446857 924001306 /nfs/dbraw/zinc/00/13/06/924001306.db2.gz DWENTGSMKVTKJY-YRGRVCCFSA-N 2 1 281.404 -0.635 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001553498336 924012093 /nfs/dbraw/zinc/01/20/93/924012093.db2.gz TXRVQEFKUGCGBD-FRRDWIJNSA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553500772 924013228 /nfs/dbraw/zinc/01/32/28/924013228.db2.gz GZSACTSGUOPQSM-RVMXOQNASA-N 2 1 284.404 -0.037 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553501561 924016798 /nfs/dbraw/zinc/01/67/98/924016798.db2.gz GFCYVPDNCSSOGX-BFHYXJOUSA-N 2 1 296.415 -0.021 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553511679 924020356 /nfs/dbraw/zinc/02/03/56/924020356.db2.gz DJPCUFIVPWYOJE-SECBINFHSA-N 2 1 292.330 -0.352 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553510563 924020786 /nfs/dbraw/zinc/02/07/86/924020786.db2.gz QNVRVKACHWPFPS-XQQFMLRXSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001553527100 924026015 /nfs/dbraw/zinc/02/60/15/924026015.db2.gz JJXZOFVSMIBBPY-XJFOESAGSA-N 2 1 296.415 -0.165 20 0 CBADMP [NH3+]C1CC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001553559076 924032747 /nfs/dbraw/zinc/03/27/47/924032747.db2.gz UZXUOKBMCMZDSG-FIYWTHMPSA-N 2 1 282.388 -0.283 20 0 CBADMP C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001553648532 924035855 /nfs/dbraw/zinc/03/58/55/924035855.db2.gz LPWRMUNSDNHXBB-VXGBXAGGSA-N 2 1 267.373 -0.347 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001558549171 924181344 /nfs/dbraw/zinc/18/13/44/924181344.db2.gz NVMVDAWJJBCNHC-LLVKDONJSA-N 2 1 264.329 -0.219 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000337567405 214160397 /nfs/dbraw/zinc/16/03/97/214160397.db2.gz PLRKLIACWHGIDC-YPMHNXCESA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000337567405 214160401 /nfs/dbraw/zinc/16/04/01/214160401.db2.gz PLRKLIACWHGIDC-YPMHNXCESA-N 2 1 273.377 -0.864 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)NCC[NH+]1CCC1 ZINC000337667745 214206382 /nfs/dbraw/zinc/20/63/82/214206382.db2.gz VLIRYPFFAMEVDM-UHFFFAOYSA-N 2 1 272.393 -0.040 20 0 CBADMP CC[C@@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+](C)C ZINC000125184051 187173568 /nfs/dbraw/zinc/17/35/68/187173568.db2.gz JOQZPKMAQMQGIA-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000337710183 282129780 /nfs/dbraw/zinc/12/97/80/282129780.db2.gz BEOHJOMJRVQVSE-RISCZKNCSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000337826562 214276645 /nfs/dbraw/zinc/27/66/45/214276645.db2.gz QUBZSDVAPVQMRJ-OCCSQVGLSA-N 2 1 299.415 -0.033 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000337834393 214279956 /nfs/dbraw/zinc/27/99/56/214279956.db2.gz CMFKEVADWXVMSL-GHMZBOCLSA-N 2 1 268.361 -0.806 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)/C=C\C[NH+](C)C)CC1 ZINC000491852434 230330621 /nfs/dbraw/zinc/33/06/21/230330621.db2.gz SXXPSNUGKZBORS-WAYWQWQTSA-N 2 1 296.415 -0.227 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C=C/C[NH+](C)C ZINC000491844736 230330682 /nfs/dbraw/zinc/33/06/82/230330682.db2.gz IWWMLLAFZIUOAH-FYJFLYSWSA-N 2 1 254.378 -0.534 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000493990097 230340459 /nfs/dbraw/zinc/34/04/59/230340459.db2.gz BBQFLRGFUGJYQX-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP CC(C)[C@@H](CO)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338292260 214501419 /nfs/dbraw/zinc/50/14/19/214501419.db2.gz RRRKVDICADLZET-GFCCVEGCSA-N 2 1 257.378 -0.243 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000126467710 187242598 /nfs/dbraw/zinc/24/25/98/187242598.db2.gz YEUSJNZYOABPKX-MDZLAQPJSA-N 2 1 284.404 -0.315 20 0 CBADMP C[NH+](C)CC(=O)N1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351388363 219094513 /nfs/dbraw/zinc/09/45/13/219094513.db2.gz QYEZDTRBEMRQPO-AWEZNQCLSA-N 2 1 298.431 -0.853 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000040808751 529770975 /nfs/dbraw/zinc/77/09/75/529770975.db2.gz GNTQRJNDLRSESO-ZDUSSCGKSA-N 2 1 268.405 -0.260 20 0 CBADMP C[NH+](C)CC(=O)N1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351388368 219095789 /nfs/dbraw/zinc/09/57/89/219095789.db2.gz QYEZDTRBEMRQPO-CQSZACIVSA-N 2 1 298.431 -0.853 20 0 CBADMP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000355802055 529800941 /nfs/dbraw/zinc/80/09/41/529800941.db2.gz HKTNHFYWLRGXKS-BXUZGUMPSA-N 2 1 278.356 -0.057 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000355802055 529800943 /nfs/dbraw/zinc/80/09/43/529800943.db2.gz HKTNHFYWLRGXKS-BXUZGUMPSA-N 2 1 278.356 -0.057 20 0 CBADMP COC[C@H](O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000126883845 187268159 /nfs/dbraw/zinc/26/81/59/187268159.db2.gz DNBJEUOMVXXSTI-CYBMUJFWSA-N 2 1 260.378 -0.228 20 0 CBADMP COC[C@H](O)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000126883845 187268161 /nfs/dbraw/zinc/26/81/61/187268161.db2.gz DNBJEUOMVXXSTI-CYBMUJFWSA-N 2 1 260.378 -0.228 20 0 CBADMP C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000355802061 529809547 /nfs/dbraw/zinc/80/95/47/529809547.db2.gz HKTNHFYWLRGXKS-RISCZKNCSA-N 2 1 278.356 -0.057 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000355802061 529809548 /nfs/dbraw/zinc/80/95/48/529809548.db2.gz HKTNHFYWLRGXKS-RISCZKNCSA-N 2 1 278.356 -0.057 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000351515875 219111325 /nfs/dbraw/zinc/11/13/25/219111325.db2.gz DCZACLWHIQSAAY-JQWIXIFHSA-N 2 1 280.372 -0.793 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351535225 219117793 /nfs/dbraw/zinc/11/77/93/219117793.db2.gz DPBKMQWNIJGLFZ-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351541010 219120049 /nfs/dbraw/zinc/12/00/49/219120049.db2.gz PAJYJBXDJROKBG-QWHCGFSZSA-N 2 1 296.415 -0.297 20 0 CBADMP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000351545324 219120404 /nfs/dbraw/zinc/12/04/04/219120404.db2.gz WSHBHHHGCKVNER-QWHCGFSZSA-N 2 1 294.399 -0.450 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351554676 219124650 /nfs/dbraw/zinc/12/46/50/219124650.db2.gz DHZKPCDLPCJJRO-LLVKDONJSA-N 2 1 279.344 -0.824 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000351556826 219125534 /nfs/dbraw/zinc/12/55/34/219125534.db2.gz HNAWCGKZSBPABA-WOPDTQHZSA-N 2 1 282.388 -0.547 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351567716 219128726 /nfs/dbraw/zinc/12/87/26/219128726.db2.gz MKFJVZLTLHRFRX-GHMZBOCLSA-N 2 1 268.361 -0.935 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[N@@H+]1C ZINC000421006249 282345612 /nfs/dbraw/zinc/34/56/12/282345612.db2.gz PVAATAHFLQSWOG-ZDUSSCGKSA-N 2 1 268.405 -0.214 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[N@H+]1C ZINC000421006249 282345615 /nfs/dbraw/zinc/34/56/15/282345615.db2.gz PVAATAHFLQSWOG-ZDUSSCGKSA-N 2 1 268.405 -0.214 20 0 CBADMP C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000367148951 530050280 /nfs/dbraw/zinc/05/02/80/530050280.db2.gz OUKQXCSPNCODNJ-CYBMUJFWSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000367215230 530066742 /nfs/dbraw/zinc/06/67/42/530066742.db2.gz ZHDWDBWUROOGSY-CHWSQXEVSA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000367215230 530066743 /nfs/dbraw/zinc/06/67/43/530066743.db2.gz ZHDWDBWUROOGSY-CHWSQXEVSA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494706143 530067310 /nfs/dbraw/zinc/06/73/10/530067310.db2.gz DETWBLNXTFQOCQ-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[C@@H](CO)[N@H+]1CCCN(C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000351630069 219154069 /nfs/dbraw/zinc/15/40/69/219154069.db2.gz QVCDQKZTOCZTPT-DZGCQCFKSA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@@H](CO)[NH+]1CCCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351630069 219154072 /nfs/dbraw/zinc/15/40/72/219154072.db2.gz QVCDQKZTOCZTPT-DZGCQCFKSA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@@H](CO)[NH+]1CCCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351630069 219154073 /nfs/dbraw/zinc/15/40/73/219154073.db2.gz QVCDQKZTOCZTPT-DZGCQCFKSA-N 2 1 285.432 -0.170 20 0 CBADMP C[N@H+](C[C@H](O)C[NH+](CCO)C1CCOCC1)C1CC1 ZINC000351633095 219156059 /nfs/dbraw/zinc/15/60/59/219156059.db2.gz YJFBQYCYFBJQPQ-AWEZNQCLSA-N 2 1 272.389 -0.085 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH+](CCO)C1CCOCC1)C1CC1 ZINC000351633095 219156060 /nfs/dbraw/zinc/15/60/60/219156060.db2.gz YJFBQYCYFBJQPQ-AWEZNQCLSA-N 2 1 272.389 -0.085 20 0 CBADMP C[NH+](C[C@H](O)C[N@H+](CCO)C1CCOCC1)C1CC1 ZINC000351633095 219156063 /nfs/dbraw/zinc/15/60/63/219156063.db2.gz YJFBQYCYFBJQPQ-AWEZNQCLSA-N 2 1 272.389 -0.085 20 0 CBADMP C[NH+](C[C@H](O)C[N@@H+](CCO)C1CCOCC1)C1CC1 ZINC000351633095 219156064 /nfs/dbraw/zinc/15/60/64/219156064.db2.gz YJFBQYCYFBJQPQ-AWEZNQCLSA-N 2 1 272.389 -0.085 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000339297062 215076330 /nfs/dbraw/zinc/07/63/30/215076330.db2.gz MYRRUSNJAKCRAH-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000339297062 215076333 /nfs/dbraw/zinc/07/63/33/215076333.db2.gz MYRRUSNJAKCRAH-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000351851298 219225765 /nfs/dbraw/zinc/22/57/65/219225765.db2.gz LHZJBARXDWJEAM-SGMGOOAPSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000339634259 215281551 /nfs/dbraw/zinc/28/15/51/215281551.db2.gz PRFSDLFGQGPTHQ-LLVKDONJSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)CC[N@@H+]1C ZINC000090720889 180032388 /nfs/dbraw/zinc/03/23/88/180032388.db2.gz CMYGRDZUZCWEMF-ZYHUDNBSSA-N 2 1 280.372 -0.344 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)CC[N@H+]1C ZINC000090720889 180032389 /nfs/dbraw/zinc/03/23/89/180032389.db2.gz CMYGRDZUZCWEMF-ZYHUDNBSSA-N 2 1 280.372 -0.344 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091311805 180132621 /nfs/dbraw/zinc/13/26/21/180132621.db2.gz INKXOSMPRAJILO-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP CC[N@@H+](CCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C)C(C)C ZINC000352086571 219314885 /nfs/dbraw/zinc/31/48/85/219314885.db2.gz FBQQFEGBWIALLW-CYBMUJFWSA-N 2 1 286.420 -0.068 20 0 CBADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CSC[NH2+]1 ZINC000091668353 180224436 /nfs/dbraw/zinc/22/44/36/180224436.db2.gz MSORSRHWEHLVFB-MXWKQRLJSA-N 2 1 271.386 -0.372 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CSC[NH2+]1 ZINC000091668353 180224438 /nfs/dbraw/zinc/22/44/38/180224438.db2.gz MSORSRHWEHLVFB-MXWKQRLJSA-N 2 1 271.386 -0.372 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000130347572 282709147 /nfs/dbraw/zinc/70/91/47/282709147.db2.gz XLCRONHHJGDVSP-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000036231643 351389318 /nfs/dbraw/zinc/38/93/18/351389318.db2.gz CCBBRFJZXBCURF-ZDUSSCGKSA-N 2 1 269.389 -0.097 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000037020383 351397102 /nfs/dbraw/zinc/39/71/02/351397102.db2.gz JRKUZTGTVRURBY-GFCCVEGCSA-N 2 1 282.388 -0.545 20 0 CBADMP CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000037620036 351399136 /nfs/dbraw/zinc/39/91/36/351399136.db2.gz GMNJDXLBBPUYCH-LBPRGKRZSA-N 2 1 284.404 -0.170 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)CC[NH2+]C(C)C)CC1 ZINC000037618613 351399838 /nfs/dbraw/zinc/39/98/38/351399838.db2.gz QYYRSAPRDQKIOV-UHFFFAOYSA-N 2 1 284.404 -0.299 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000037622916 351399855 /nfs/dbraw/zinc/39/98/55/351399855.db2.gz XLNUHPQTIYBALG-UHFFFAOYSA-N 2 1 290.367 -0.594 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000044726690 351446630 /nfs/dbraw/zinc/44/66/30/351446630.db2.gz IYQLPXNSKBSZSV-ADEWGFFLSA-N 2 1 253.346 -0.284 20 0 CBADMP C[N@H+](CCOCC(F)(F)F)CC(=O)N1CC[NH2+]CC1 ZINC000049311728 351489650 /nfs/dbraw/zinc/48/96/50/351489650.db2.gz PJRQVMQDDZGCAG-UHFFFAOYSA-N 2 1 283.294 -0.071 20 0 CBADMP C[N@@H+](CCOCC(F)(F)F)CC(=O)N1CC[NH2+]CC1 ZINC000049311728 351489653 /nfs/dbraw/zinc/48/96/53/351489653.db2.gz PJRQVMQDDZGCAG-UHFFFAOYSA-N 2 1 283.294 -0.071 20 0 CBADMP Cn1cc(C[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)cn1 ZINC000053299135 351526905 /nfs/dbraw/zinc/52/69/05/351526905.db2.gz NUJFEOSJJWFJHZ-UHFFFAOYSA-N 2 1 265.361 -0.326 20 0 CBADMP C[C@]1(C(=O)NCCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000062890210 351577063 /nfs/dbraw/zinc/57/70/63/351577063.db2.gz IAOQMXQCCFNVMK-ZDUSSCGKSA-N 2 1 255.362 -0.176 20 0 CBADMP CC(C)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179643 351580577 /nfs/dbraw/zinc/58/05/77/351580577.db2.gz VVTRQUJTVTXVIF-LLVKDONJSA-N 2 1 270.377 -0.702 20 0 CBADMP CC(C)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179642 351580676 /nfs/dbraw/zinc/58/06/76/351580676.db2.gz VVTRQUJTVTXVIF-NSHDSACASA-N 2 1 270.377 -0.702 20 0 CBADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150752 351643396 /nfs/dbraw/zinc/64/33/96/351643396.db2.gz AZESZBMWLSPVJD-LLVKDONJSA-N 2 1 285.392 -0.942 20 0 CBADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150752 351643398 /nfs/dbraw/zinc/64/33/98/351643398.db2.gz AZESZBMWLSPVJD-LLVKDONJSA-N 2 1 285.392 -0.942 20 0 CBADMP C[N@@H+](CCNC(=O)CNC(=O)C[NH3+])C1CCCC1 ZINC000071378715 351644787 /nfs/dbraw/zinc/64/47/87/351644787.db2.gz VZAVZRNZJFDYCF-UHFFFAOYSA-N 2 1 256.350 -0.948 20 0 CBADMP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000068807733 351621771 /nfs/dbraw/zinc/62/17/71/351621771.db2.gz ZISLPHYSBAHTAN-NWDGAFQWSA-N 2 1 256.394 -0.134 20 0 CBADMP COCC[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000081255940 351704099 /nfs/dbraw/zinc/70/40/99/351704099.db2.gz ILJAHKSFMSDCEB-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000081255940 351704100 /nfs/dbraw/zinc/70/41/00/351704100.db2.gz ILJAHKSFMSDCEB-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081255940 351704101 /nfs/dbraw/zinc/70/41/01/351704101.db2.gz ILJAHKSFMSDCEB-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081255940 351704103 /nfs/dbraw/zinc/70/41/03/351704103.db2.gz ILJAHKSFMSDCEB-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000081315371 351704115 /nfs/dbraw/zinc/70/41/15/351704115.db2.gz WYAAIEIRQAXLOR-GFCCVEGCSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000081315371 351704117 /nfs/dbraw/zinc/70/41/17/351704117.db2.gz WYAAIEIRQAXLOR-GFCCVEGCSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000081292173 351704606 /nfs/dbraw/zinc/70/46/06/351704606.db2.gz JMEBNCONMPILBD-CYBMUJFWSA-N 2 1 280.416 -0.023 20 0 CBADMP O=C([C@H]1COCC[NH2+]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000088371009 351724409 /nfs/dbraw/zinc/72/44/09/351724409.db2.gz CSHAGRNEQXWVIM-CQSZACIVSA-N 2 1 297.399 -0.454 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000091301475 351743220 /nfs/dbraw/zinc/74/32/20/351743220.db2.gz FLWFLLXKCMAQCY-CYBMUJFWSA-N 2 1 285.388 -0.454 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH+](C2CC2)CC1 ZINC000091301485 351743341 /nfs/dbraw/zinc/74/33/41/351743341.db2.gz RFUNRDCLSSGKPP-LBPRGKRZSA-N 2 1 253.346 -0.329 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000091311236 351743837 /nfs/dbraw/zinc/74/38/37/351743837.db2.gz WQWKYKUUBAFXGT-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000092137571 351748609 /nfs/dbraw/zinc/74/86/09/351748609.db2.gz ORVOPKSZSDOTDX-QJPTWQEYSA-N 2 1 255.362 -0.179 20 0 CBADMP CNC(=O)NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072893 351763430 /nfs/dbraw/zinc/76/34/30/351763430.db2.gz MSPRWPQIFJYDDE-UHFFFAOYSA-N 2 1 272.349 -0.728 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)O1 ZINC000094573152 351764081 /nfs/dbraw/zinc/76/40/81/351764081.db2.gz XRTGPLKHNBNGAT-RNJOBUHISA-N 2 1 283.372 -0.528 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)O1 ZINC000094573149 351764495 /nfs/dbraw/zinc/76/44/95/351764495.db2.gz XRTGPLKHNBNGAT-LPWJVIDDSA-N 2 1 283.372 -0.528 20 0 CBADMP C[N@@H+](CCC(=O)NC(N)=O)C[C@H]1CCC[NH+](C)C1 ZINC000118843683 351830189 /nfs/dbraw/zinc/83/01/89/351830189.db2.gz JPDKQVQZNOGCSB-JTQLQIEISA-N 2 1 256.350 -0.155 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000111695849 351805819 /nfs/dbraw/zinc/80/58/19/351805819.db2.gz CSONEIHTUJYBQY-KXUCPTDWSA-N 2 1 256.350 -0.110 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000111695849 351805821 /nfs/dbraw/zinc/80/58/21/351805821.db2.gz CSONEIHTUJYBQY-KXUCPTDWSA-N 2 1 256.350 -0.110 20 0 CBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125310225 351858510 /nfs/dbraw/zinc/85/85/10/351858510.db2.gz LRIIRHYWEBACQO-AXFHLTTASA-N 2 1 268.361 -0.109 20 0 CBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125310225 351858515 /nfs/dbraw/zinc/85/85/15/351858515.db2.gz LRIIRHYWEBACQO-AXFHLTTASA-N 2 1 268.361 -0.109 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000126302014 351858854 /nfs/dbraw/zinc/85/88/54/351858854.db2.gz RCHBVXQYBHNAIX-AAEUAGOBSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]CCCNS(C)(=O)=O)CC[N@H+]1C ZINC000121134856 351846500 /nfs/dbraw/zinc/84/65/00/351846500.db2.gz YPGJLLLGANMWEN-GHMZBOCLSA-N 2 1 263.407 -0.002 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129088910 351868794 /nfs/dbraw/zinc/86/87/94/351868794.db2.gz YLGIWJNKFAVBKD-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP CN(C)C(=O)CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129574403 351871910 /nfs/dbraw/zinc/87/19/10/351871910.db2.gz WRTVAEAFYBINPV-LBPRGKRZSA-N 2 1 255.362 -0.271 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])CC)CC1 ZINC000130345920 351878967 /nfs/dbraw/zinc/87/89/67/351878967.db2.gz KRCPCNOBBVSIKO-GFCCVEGCSA-N 2 1 284.404 -0.170 20 0 CBADMP CNC(=O)CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000131459814 351886545 /nfs/dbraw/zinc/88/65/45/351886545.db2.gz NVBCHHHDGHVALP-UHFFFAOYSA-N 2 1 256.394 -0.308 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000131762722 351888620 /nfs/dbraw/zinc/88/86/20/351888620.db2.gz PRZOKYDPGAKIFI-UWVGGRQHSA-N 2 1 268.361 -0.014 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000133631703 351901393 /nfs/dbraw/zinc/90/13/93/351901393.db2.gz ZIOYTLQMVWUTDU-VWYCJHECSA-N 2 1 268.361 -0.144 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000171202284 352009485 /nfs/dbraw/zinc/00/94/85/352009485.db2.gz ALQDHCOQMZPTRQ-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[NH+](C)CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000171202284 352009486 /nfs/dbraw/zinc/00/94/86/352009486.db2.gz ALQDHCOQMZPTRQ-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[NH+](C)CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000171202284 352009489 /nfs/dbraw/zinc/00/94/89/352009489.db2.gz ALQDHCOQMZPTRQ-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000157308805 351955481 /nfs/dbraw/zinc/95/54/81/351955481.db2.gz XLYYMNIGQORCQE-STQMWFEESA-N 2 1 268.405 -0.038 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@]1(F)CC[NH2+]C1 ZINC000163385318 351981880 /nfs/dbraw/zinc/98/18/80/351981880.db2.gz HIZWWDCEYVDYOT-LBPRGKRZSA-N 2 1 259.325 -0.474 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000166749417 351987574 /nfs/dbraw/zinc/98/75/74/351987574.db2.gz RQWIZHPXMBVTAE-STQMWFEESA-N 2 1 294.399 -0.639 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1CCOC ZINC000168069023 351991889 /nfs/dbraw/zinc/99/18/89/351991889.db2.gz CTAJANWOJYTRGA-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[N@H+]1CCOC ZINC000168069023 351991890 /nfs/dbraw/zinc/99/18/90/351991890.db2.gz CTAJANWOJYTRGA-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000174292341 352045540 /nfs/dbraw/zinc/04/55/40/352045540.db2.gz TXRDDKSAULZMRA-ZDUSSCGKSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000174292341 352045545 /nfs/dbraw/zinc/04/55/45/352045545.db2.gz TXRDDKSAULZMRA-ZDUSSCGKSA-N 2 1 285.388 -0.456 20 0 CBADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000174352186 352046051 /nfs/dbraw/zinc/04/60/51/352046051.db2.gz NTUDPMBFFTWZHX-LBPRGKRZSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000174352186 352046055 /nfs/dbraw/zinc/04/60/55/352046055.db2.gz NTUDPMBFFTWZHX-LBPRGKRZSA-N 2 1 255.362 -0.130 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCNS(C)(=O)=O ZINC000174729912 352051339 /nfs/dbraw/zinc/05/13/39/352051339.db2.gz FUVIGDICYNDTMD-UHFFFAOYSA-N 2 1 292.449 -0.895 20 0 CBADMP C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000172797734 352031458 /nfs/dbraw/zinc/03/14/58/352031458.db2.gz UBAFLIVJNUZJPH-GFCCVEGCSA-N 2 1 255.362 -0.130 20 0 CBADMP C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000172797734 352031459 /nfs/dbraw/zinc/03/14/59/352031459.db2.gz UBAFLIVJNUZJPH-GFCCVEGCSA-N 2 1 255.362 -0.130 20 0 CBADMP O=C(C[NH2+]CC1CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186610643 352128906 /nfs/dbraw/zinc/12/89/06/352128906.db2.gz KVQNTTWUXYIODX-ZDUSSCGKSA-N 2 1 294.399 -0.591 20 0 CBADMP [NH3+]CCCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186704144 352129951 /nfs/dbraw/zinc/12/99/51/352129951.db2.gz CIHOUBULQOHQFE-NSHDSACASA-N 2 1 268.361 -0.852 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000178700273 352081793 /nfs/dbraw/zinc/08/17/93/352081793.db2.gz IKBOFTFYPSWYQE-LBPRGKRZSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000178815909 352083884 /nfs/dbraw/zinc/08/38/84/352083884.db2.gz OSZVBGURYGBIQJ-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C[N@H+]1C1CC1 ZINC000178867398 352085036 /nfs/dbraw/zinc/08/50/36/352085036.db2.gz NQPLSGXMZDNHIN-UMNHJUIQSA-N 2 1 253.346 -0.284 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)CC[NH3+])CC2)C1 ZINC000178885610 352085964 /nfs/dbraw/zinc/08/59/64/352085964.db2.gz ISGZYNXBIIRPDS-AWEZNQCLSA-N 2 1 298.431 -0.411 20 0 CBADMP CC(=O)NC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000178973795 352087072 /nfs/dbraw/zinc/08/70/72/352087072.db2.gz JFKQGWZFYMNPEY-CYBMUJFWSA-N 2 1 255.362 -0.177 20 0 CBADMP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)[C@H]2CCC[NH2+]C2)cn1 ZINC000181391048 352099178 /nfs/dbraw/zinc/09/91/78/352099178.db2.gz NXRHXZBZQUSNHM-AAEUAGOBSA-N 2 1 277.372 -0.107 20 0 CBADMP C[C@@H](O)CC[N@@H+](C)CC(O)CN(C)CC[C@H](C)O ZINC000181801025 352100829 /nfs/dbraw/zinc/10/08/29/352100829.db2.gz OIYFBXKVYGPGBN-FUNVUKJBSA-N 2 1 262.394 -0.247 20 0 CBADMP C[C@@H](O)CC[N@H+](C)CC(O)CN(C)CC[C@H](C)O ZINC000181801025 352100832 /nfs/dbraw/zinc/10/08/32/352100832.db2.gz OIYFBXKVYGPGBN-FUNVUKJBSA-N 2 1 262.394 -0.247 20 0 CBADMP CC[C@@]1(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000184154719 352112425 /nfs/dbraw/zinc/11/24/25/352112425.db2.gz GIDZUUNNWVLQTP-HNNXBMFYSA-N 2 1 296.415 -0.201 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188687569 352156466 /nfs/dbraw/zinc/15/64/66/352156466.db2.gz YWUQACRFBMWWHY-WDEREUQCSA-N 2 1 259.325 -0.475 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188750920 352158643 /nfs/dbraw/zinc/15/86/43/352158643.db2.gz SYMMFZWJRIUCTC-UHFFFAOYSA-N 2 1 281.360 -0.637 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188914124 352160917 /nfs/dbraw/zinc/16/09/17/352160917.db2.gz KZKABVCWEKYMKP-QWHCGFSZSA-N 2 1 286.395 -0.218 20 0 CBADMP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000188235069 352149369 /nfs/dbraw/zinc/14/93/69/352149369.db2.gz OSZVBGURYGBIQJ-SDDRHHMPSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000219037463 352237223 /nfs/dbraw/zinc/23/72/23/352237223.db2.gz GGZIFNSWEUSEJZ-JQWIXIFHSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000219037463 352237225 /nfs/dbraw/zinc/23/72/25/352237225.db2.gz GGZIFNSWEUSEJZ-JQWIXIFHSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000219992686 352237962 /nfs/dbraw/zinc/23/79/62/352237962.db2.gz OMUNCHJUYCRJHR-GHMZBOCLSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC2(C)CC[NH2+]CC2)C1 ZINC000193395307 352205650 /nfs/dbraw/zinc/20/56/50/352205650.db2.gz IYKVJYLASJFLSW-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC2(C)CC[NH2+]CC2)C1 ZINC000193395307 352205652 /nfs/dbraw/zinc/20/56/52/352205652.db2.gz IYKVJYLASJFLSW-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP CC(C)[NH+](CCO)CC(O)C[N@@H+](CCO)C(C)C ZINC000194428821 352215540 /nfs/dbraw/zinc/21/55/40/352215540.db2.gz BWXKWZPYKHGTLI-UHFFFAOYSA-N 2 1 262.394 -0.247 20 0 CBADMP CC(C)[NH+](CCO)CC(O)C[N@H+](CCO)C(C)C ZINC000194428821 352215543 /nfs/dbraw/zinc/21/55/43/352215543.db2.gz BWXKWZPYKHGTLI-UHFFFAOYSA-N 2 1 262.394 -0.247 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000227373487 352257386 /nfs/dbraw/zinc/25/73/86/352257386.db2.gz XFTWGCZRGYWHIY-QWHCGFSZSA-N 2 1 286.420 -0.652 20 0 CBADMP C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000230993200 352275388 /nfs/dbraw/zinc/27/53/88/352275388.db2.gz WAOUFUBRRHESBC-WDEREUQCSA-N 2 1 263.407 -0.050 20 0 CBADMP C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000230993200 352275391 /nfs/dbraw/zinc/27/53/91/352275391.db2.gz WAOUFUBRRHESBC-WDEREUQCSA-N 2 1 263.407 -0.050 20 0 CBADMP NC(=O)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000224967219 352246243 /nfs/dbraw/zinc/24/62/43/352246243.db2.gz YITWCIJNTTYLMD-STQMWFEESA-N 2 1 290.367 -0.420 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000224967219 352246249 /nfs/dbraw/zinc/24/62/49/352246249.db2.gz YITWCIJNTTYLMD-STQMWFEESA-N 2 1 290.367 -0.420 20 0 CBADMP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000225525068 352248694 /nfs/dbraw/zinc/24/86/94/352248694.db2.gz FUUOQJCWWUHUNX-UTUOFQBUSA-N 2 1 253.346 -0.594 20 0 CBADMP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000225525068 352248697 /nfs/dbraw/zinc/24/86/97/352248697.db2.gz FUUOQJCWWUHUNX-UTUOFQBUSA-N 2 1 253.346 -0.594 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000226401569 352251969 /nfs/dbraw/zinc/25/19/69/352251969.db2.gz ZBESIQJPVBKHHH-NSHDSACASA-N 2 1 292.387 -0.021 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000226401569 352251972 /nfs/dbraw/zinc/25/19/72/352251972.db2.gz ZBESIQJPVBKHHH-NSHDSACASA-N 2 1 292.387 -0.021 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CCOCC2)CC[N@H+]1C ZINC000226876904 352254821 /nfs/dbraw/zinc/25/48/21/352254821.db2.gz ZWPSUAYSIDXIRF-MGPQQGTHSA-N 2 1 271.405 -0.248 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@H](C)C[NH2+]C)CC1 ZINC000236844878 352294645 /nfs/dbraw/zinc/29/46/45/352294645.db2.gz QLKKLDLBMTZGBD-CYBMUJFWSA-N 2 1 270.421 -0.014 20 0 CBADMP CCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000236919969 352295985 /nfs/dbraw/zinc/29/59/85/352295985.db2.gz KJZOXAWUTFKZMR-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000236897556 352296389 /nfs/dbraw/zinc/29/63/89/352296389.db2.gz WEFZXESHTKJMCE-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000236897556 352296390 /nfs/dbraw/zinc/29/63/90/352296390.db2.gz WEFZXESHTKJMCE-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000237137895 352299582 /nfs/dbraw/zinc/29/95/82/352299582.db2.gz TVKALNYNSVJGJU-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000237438164 352304909 /nfs/dbraw/zinc/30/49/09/352304909.db2.gz PUFLNCRNTCXOCU-VXGBXAGGSA-N 2 1 255.362 -0.320 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000245470147 352321525 /nfs/dbraw/zinc/32/15/25/352321525.db2.gz WADJWNJHTLPUNL-UONOGXRCSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000245470147 352321526 /nfs/dbraw/zinc/32/15/26/352321526.db2.gz WADJWNJHTLPUNL-UONOGXRCSA-N 2 1 297.399 -0.314 20 0 CBADMP C[N@H+]1CCCC[C@H]1CN1CCN([C@H]2CCNC2=O)CC1 ZINC000245693282 352323984 /nfs/dbraw/zinc/32/39/84/352323984.db2.gz QLBSIMUOBZSIIG-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000246578384 352334841 /nfs/dbraw/zinc/33/48/41/352334841.db2.gz VMDGDPCTWPSFFT-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC(=O)N1CCN(C)CC1 ZINC000248838488 352355956 /nfs/dbraw/zinc/35/59/56/352355956.db2.gz OOWYXJXPGLCYGW-CLLJXQQHSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H]([NH3+])CC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261890619 352399615 /nfs/dbraw/zinc/39/96/15/352399615.db2.gz WIKQNCHFUACPFJ-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000250650847 352373189 /nfs/dbraw/zinc/37/31/89/352373189.db2.gz WQWKYKUUBAFXGT-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000250422684 352373450 /nfs/dbraw/zinc/37/34/50/352373450.db2.gz ZRRMCZBIYWIJON-JHJVBQTASA-N 2 1 268.405 -0.134 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1C[NH2+]CCO1 ZINC000250860710 352374022 /nfs/dbraw/zinc/37/40/22/352374022.db2.gz QDOWETVYWAKBNI-UTUOFQBUSA-N 2 1 253.346 -0.282 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1C[NH2+]CCO1 ZINC000251539918 352375399 /nfs/dbraw/zinc/37/53/99/352375399.db2.gz YETBHOUKOSETNZ-GRYCIOLGSA-N 2 1 253.346 -0.282 20 0 CBADMP CC[C@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000261889504 352400152 /nfs/dbraw/zinc/40/01/52/352400152.db2.gz SZCFQRKZRINUKW-GRYCIOLGSA-N 2 1 255.362 -0.097 20 0 CBADMP COCC[NH2+]CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252580275 352378559 /nfs/dbraw/zinc/37/85/59/352378559.db2.gz PVWUTDIOXWLWKL-RYUDHWBXSA-N 2 1 271.361 -0.798 20 0 CBADMP COCC[NH2+]CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252580274 352378609 /nfs/dbraw/zinc/37/86/09/352378609.db2.gz PVWUTDIOXWLWKL-NWDGAFQWSA-N 2 1 271.361 -0.798 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252696485 352379920 /nfs/dbraw/zinc/37/99/20/352379920.db2.gz APPVBTIZIOCFRW-KXUCPTDWSA-N 2 1 256.350 -0.110 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252696485 352379923 /nfs/dbraw/zinc/37/99/23/352379923.db2.gz APPVBTIZIOCFRW-KXUCPTDWSA-N 2 1 256.350 -0.110 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252874641 352380711 /nfs/dbraw/zinc/38/07/11/352380711.db2.gz VIABQYBIVJRXRH-GUBZILKMSA-N 2 1 254.334 -0.499 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252874641 352380715 /nfs/dbraw/zinc/38/07/15/352380715.db2.gz VIABQYBIVJRXRH-GUBZILKMSA-N 2 1 254.334 -0.499 20 0 CBADMP O=C1CCC(=O)N1CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261561881 352388207 /nfs/dbraw/zinc/38/82/07/352388207.db2.gz GEBYUUNNZBZOSY-MNOVXSKESA-N 2 1 251.330 -0.323 20 0 CBADMP O=C1CCC(=O)N1CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261561881 352388208 /nfs/dbraw/zinc/38/82/08/352388208.db2.gz GEBYUUNNZBZOSY-MNOVXSKESA-N 2 1 251.330 -0.323 20 0 CBADMP COC1(C(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH2+]CC1 ZINC000261577402 352389009 /nfs/dbraw/zinc/38/90/09/352389009.db2.gz OGWHWFOGKCBKMN-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000261726767 352394034 /nfs/dbraw/zinc/39/40/34/352394034.db2.gz JSBZFBVBWPILAB-CYBMUJFWSA-N 2 1 255.362 -0.094 20 0 CBADMP COCC[C@]1(C(=O)N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000261708666 352394255 /nfs/dbraw/zinc/39/42/55/352394255.db2.gz UXWGESHFKRVGBH-CYBMUJFWSA-N 2 1 255.362 -0.223 20 0 CBADMP C[C@@]1(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)CC[NH2+]C1 ZINC000261921203 352400961 /nfs/dbraw/zinc/40/09/61/352400961.db2.gz BPZVMAZFTORMCX-OLZOCXBDSA-N 2 1 266.345 -0.340 20 0 CBADMP C[C@@]1(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)CC[NH2+]C1 ZINC000261921203 352400963 /nfs/dbraw/zinc/40/09/63/352400963.db2.gz BPZVMAZFTORMCX-OLZOCXBDSA-N 2 1 266.345 -0.340 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261781620 352396685 /nfs/dbraw/zinc/39/66/85/352396685.db2.gz BHTFLJBZEOPMMH-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261928312 352400973 /nfs/dbraw/zinc/40/09/73/352400973.db2.gz LEHIMKPTKIJTCN-RYUDHWBXSA-N 2 1 275.418 0.000 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261928312 352400976 /nfs/dbraw/zinc/40/09/76/352400976.db2.gz LEHIMKPTKIJTCN-RYUDHWBXSA-N 2 1 275.418 0.000 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(C)(C)C[NH3+] ZINC000262254498 352412174 /nfs/dbraw/zinc/41/21/74/352412174.db2.gz XDELTFJVKSXKAS-UHFFFAOYSA-N 3 1 256.394 -0.275 20 0 CBADMP C[N@H+](CCC(=O)N1CCNCC1)CC(C)(C)C[NH3+] ZINC000262254498 352412177 /nfs/dbraw/zinc/41/21/77/352412177.db2.gz XDELTFJVKSXKAS-UHFFFAOYSA-N 2 1 256.394 -0.275 20 0 CBADMP C[N@@H+](CCC(=O)N1CCNCC1)CC(C)(C)C[NH3+] ZINC000262254498 352412179 /nfs/dbraw/zinc/41/21/79/352412179.db2.gz XDELTFJVKSXKAS-UHFFFAOYSA-N 2 1 256.394 -0.275 20 0 CBADMP C[C@@H](CS(C)(=O)=O)[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000262270098 352413332 /nfs/dbraw/zinc/41/33/32/352413332.db2.gz YIDGZLKYRSPEAD-NSHDSACASA-N 2 1 291.417 -0.827 20 0 CBADMP C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000262270098 352413334 /nfs/dbraw/zinc/41/33/34/352413334.db2.gz YIDGZLKYRSPEAD-NSHDSACASA-N 2 1 291.417 -0.827 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000262329514 352416475 /nfs/dbraw/zinc/41/64/75/352416475.db2.gz DMMZHWDIJRYLPC-ZDUSSCGKSA-N 2 1 296.415 -0.262 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000262329514 352416476 /nfs/dbraw/zinc/41/64/76/352416476.db2.gz DMMZHWDIJRYLPC-ZDUSSCGKSA-N 2 1 296.415 -0.262 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262333615 352416600 /nfs/dbraw/zinc/41/66/00/352416600.db2.gz FGZUWXUUKMYBHF-JHJVBQTASA-N 2 1 269.389 -0.197 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@@H+]1CCOC ZINC000262342596 352417138 /nfs/dbraw/zinc/41/71/38/352417138.db2.gz GIFJVUQPPXMUKY-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@H+]1CCOC ZINC000262342596 352417141 /nfs/dbraw/zinc/41/71/41/352417141.db2.gz GIFJVUQPPXMUKY-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000262585031 352427191 /nfs/dbraw/zinc/42/71/91/352427191.db2.gz NXRJKARKVNYDKV-TUAOUCFPSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000262585031 352427197 /nfs/dbraw/zinc/42/71/97/352427197.db2.gz NXRJKARKVNYDKV-TUAOUCFPSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000262949916 352436336 /nfs/dbraw/zinc/43/63/36/352436336.db2.gz VIWHBDVWUAYHNR-UTUOFQBUSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000262949916 352436337 /nfs/dbraw/zinc/43/63/37/352436337.db2.gz VIWHBDVWUAYHNR-UTUOFQBUSA-N 2 1 255.362 -0.036 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000263226934 352439884 /nfs/dbraw/zinc/43/98/84/352439884.db2.gz GSWMGCNXKOQNCA-JSGCOSHPSA-N 2 1 298.431 -0.066 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262056403 352405588 /nfs/dbraw/zinc/40/55/88/352405588.db2.gz QREKNBBPMXQKQP-RYUDHWBXSA-N 2 1 275.418 0.000 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262056403 352405591 /nfs/dbraw/zinc/40/55/91/352405591.db2.gz QREKNBBPMXQKQP-RYUDHWBXSA-N 2 1 275.418 0.000 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262056402 352405657 /nfs/dbraw/zinc/40/56/57/352405657.db2.gz QREKNBBPMXQKQP-NWDGAFQWSA-N 2 1 275.418 0.000 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262056402 352405659 /nfs/dbraw/zinc/40/56/59/352405659.db2.gz QREKNBBPMXQKQP-NWDGAFQWSA-N 2 1 275.418 0.000 20 0 CBADMP CC(C)C(=O)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262097176 352406813 /nfs/dbraw/zinc/40/68/13/352406813.db2.gz LWAPMLNHZVXWLG-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000269238240 352464250 /nfs/dbraw/zinc/46/42/50/352464250.db2.gz OQUKJGLDWOUVPE-LLVKDONJSA-N 2 1 252.318 -0.314 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]([NH3+])CC(N)=O)Cc1ccc(F)cc1 ZINC000269696103 352479749 /nfs/dbraw/zinc/47/97/49/352479749.db2.gz LECORTSWUAWYKR-LBPRGKRZSA-N 2 1 296.346 -0.424 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(N)=O)Cc1ccc(F)cc1 ZINC000269696103 352479751 /nfs/dbraw/zinc/47/97/51/352479751.db2.gz LECORTSWUAWYKR-LBPRGKRZSA-N 2 1 296.346 -0.424 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000269926316 352483929 /nfs/dbraw/zinc/48/39/29/352483929.db2.gz STQHOVUEWSDAME-CYBMUJFWSA-N 2 1 283.376 -0.197 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000290036456 352671681 /nfs/dbraw/zinc/67/16/81/352671681.db2.gz SFDCQDNKMXINFW-KOLCDFICSA-N 2 1 254.334 -0.082 20 0 CBADMP C[N@H+](CCC(N)=O)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000289722343 352667480 /nfs/dbraw/zinc/66/74/80/352667480.db2.gz PKBGZERKTOIDDK-UHFFFAOYSA-N 2 1 292.387 -0.464 20 0 CBADMP C[N@@H+](CCC(N)=O)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000289722343 352667482 /nfs/dbraw/zinc/66/74/82/352667482.db2.gz PKBGZERKTOIDDK-UHFFFAOYSA-N 2 1 292.387 -0.464 20 0 CBADMP NS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299555743 352725196 /nfs/dbraw/zinc/72/51/96/352725196.db2.gz MFANUZZMAQTJFJ-UHFFFAOYSA-N 2 1 299.400 -0.613 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000300698103 352734373 /nfs/dbraw/zinc/73/43/73/352734373.db2.gz ULQBURJLSDKKHO-GRYCIOLGSA-N 2 1 255.362 -0.097 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)Cn1cc([C@H]([NH3+])C(C)C)nn1 ZINC000312676943 352775719 /nfs/dbraw/zinc/77/57/19/352775719.db2.gz CJAMOGOUJJZOJR-WCQYABFASA-N 2 1 285.392 -0.127 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000310401122 352759236 /nfs/dbraw/zinc/75/92/36/352759236.db2.gz UNCBBFZNYRMQTD-QMMMGPOBSA-N 2 1 253.293 -0.337 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[NH+](C)CC1 ZINC000310961260 352764243 /nfs/dbraw/zinc/76/42/43/352764243.db2.gz AQQNZHZRSUGJHV-ZDUSSCGKSA-N 2 1 259.394 -0.437 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CCC[N@H+](C)CC1 ZINC000310961260 352764245 /nfs/dbraw/zinc/76/42/45/352764245.db2.gz AQQNZHZRSUGJHV-ZDUSSCGKSA-N 2 1 259.394 -0.437 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CCC[N@@H+](C)CC1 ZINC000310961260 352764246 /nfs/dbraw/zinc/76/42/46/352764246.db2.gz AQQNZHZRSUGJHV-ZDUSSCGKSA-N 2 1 259.394 -0.437 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)Cn1cc(CCC[NH3+])nn1 ZINC000310923126 352764342 /nfs/dbraw/zinc/76/43/42/352764342.db2.gz CTPUNHAXLFPXJR-GFCCVEGCSA-N 2 1 255.366 -0.130 20 0 CBADMP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH2+]C1 ZINC000311767613 352770048 /nfs/dbraw/zinc/77/00/48/352770048.db2.gz VQPLVQPZDAGIBF-RISCZKNCSA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@@H+](C[C@@H](O)Cn1cc(C[NH2+]C2CC2)nn1)C1CC1 ZINC000312101709 352773255 /nfs/dbraw/zinc/77/32/55/352773255.db2.gz HXXBJUZJOVJQCF-CYBMUJFWSA-N 2 1 265.361 -0.015 20 0 CBADMP CC[N@@H+](CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000311997964 352773360 /nfs/dbraw/zinc/77/33/60/352773360.db2.gz PQEYYYOUSKFHIH-LBPRGKRZSA-N 2 1 291.417 -0.622 20 0 CBADMP Cn1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(=O)n(C)c1=O ZINC000314818410 352780233 /nfs/dbraw/zinc/78/02/33/352780233.db2.gz VVTUJSFLWHJCDG-TXEJJXNPSA-N 2 1 292.383 -0.485 20 0 CBADMP CC1CC[NH+](CC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000573919181 334977121 /nfs/dbraw/zinc/97/71/21/334977121.db2.gz CDEQKKSFKLHDCU-UHFFFAOYSA-N 2 1 282.388 -0.734 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[N@H+]1C1CC1 ZINC000331388203 352911297 /nfs/dbraw/zinc/91/12/97/352911297.db2.gz LOWDFFROQGDGNG-UTUOFQBUSA-N 2 1 294.399 -0.452 20 0 CBADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332082507 352934862 /nfs/dbraw/zinc/93/48/62/352934862.db2.gz BABVXQONUWTHLU-RWMBFGLXSA-N 2 1 294.399 -0.463 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000331503649 352919967 /nfs/dbraw/zinc/91/99/67/352919967.db2.gz SLOUMKIVZZUBGI-STQMWFEESA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC[NH2+]1 ZINC000332072915 352933726 /nfs/dbraw/zinc/93/37/26/352933726.db2.gz VMSPQGRKRBVGKP-AGIUHOORSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000332638943 352971583 /nfs/dbraw/zinc/97/15/83/352971583.db2.gz KYLZXTYENVFJSF-CHWSQXEVSA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000332638945 352971887 /nfs/dbraw/zinc/97/18/87/352971887.db2.gz KYLZXTYENVFJSF-OLZOCXBDSA-N 2 1 294.399 -0.497 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC[NH2+]1 ZINC000332650721 352972792 /nfs/dbraw/zinc/97/27/92/352972792.db2.gz UKLIQOVLAVTZOR-AGIUHOORSA-N 2 1 294.399 -0.498 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332736339 352981374 /nfs/dbraw/zinc/98/13/74/352981374.db2.gz VKKKELPEMIIELE-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332736339 352981377 /nfs/dbraw/zinc/98/13/77/352981377.db2.gz VKKKELPEMIIELE-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000332202558 352939303 /nfs/dbraw/zinc/93/93/03/352939303.db2.gz XTOOFBFXEYLCCF-STQMWFEESA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000332202558 352939305 /nfs/dbraw/zinc/93/93/05/352939305.db2.gz XTOOFBFXEYLCCF-STQMWFEESA-N 2 1 294.399 -0.497 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC1([NH3+])CCC1 ZINC000332454048 352953110 /nfs/dbraw/zinc/95/31/10/352953110.db2.gz HABDHFXHAJJJHW-LLVKDONJSA-N 2 1 270.377 -0.424 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC1([NH3+])CCC1 ZINC000332454048 352953114 /nfs/dbraw/zinc/95/31/14/352953114.db2.gz HABDHFXHAJJJHW-LLVKDONJSA-N 2 1 270.377 -0.424 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000333138443 353000022 /nfs/dbraw/zinc/00/00/22/353000022.db2.gz CRABTDIBMDSFMG-AAEUAGOBSA-N 2 1 294.399 -0.147 20 0 CBADMP O=C(NC[C@H]1C[NH2+]CCO1)N1CC[NH+](C2CC2)CC1 ZINC000333596626 353004529 /nfs/dbraw/zinc/00/45/29/353004529.db2.gz VXGXROLFRIPJCH-GFCCVEGCSA-N 2 1 268.361 -0.536 20 0 CBADMP CC[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000333644199 353006438 /nfs/dbraw/zinc/00/64/38/353006438.db2.gz IUIQTTKNKKMHTP-GFCCVEGCSA-N 2 1 270.377 -0.288 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)NCC[N@H+]1CCCOCC1 ZINC000333677056 353008077 /nfs/dbraw/zinc/00/80/77/353008077.db2.gz ZCAAKFBJXUKRMH-GFCCVEGCSA-N 2 1 270.377 -0.288 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)NCC[N@H+]1CCCOCC1 ZINC000333677057 353008133 /nfs/dbraw/zinc/00/81/33/353008133.db2.gz ZCAAKFBJXUKRMH-LBPRGKRZSA-N 2 1 270.377 -0.288 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333747033 353009362 /nfs/dbraw/zinc/00/93/62/353009362.db2.gz YMILSNOQXHOBPX-RYUDHWBXSA-N 2 1 270.377 -0.554 20 0 CBADMP O=C(NCCN1CC[NH2+]CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000333814279 353011995 /nfs/dbraw/zinc/01/19/95/353011995.db2.gz JXDMWVZWDXIOQT-ZDUSSCGKSA-N 2 1 281.404 -0.619 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1C ZINC000333863365 353012489 /nfs/dbraw/zinc/01/24/89/353012489.db2.gz SOQKDACGWOHYAN-NDBYEHHHSA-N 2 1 282.388 -0.434 20 0 CBADMP COCC[N@H+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1C ZINC000333863365 353012492 /nfs/dbraw/zinc/01/24/92/353012492.db2.gz SOQKDACGWOHYAN-NDBYEHHHSA-N 2 1 282.388 -0.434 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCN1CC[NH2+]CC1 ZINC000333857890 353012520 /nfs/dbraw/zinc/01/25/20/353012520.db2.gz RJEUOUNQGHNSBZ-AWEZNQCLSA-N 2 1 297.447 -0.125 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000333944533 353014401 /nfs/dbraw/zinc/01/44/01/353014401.db2.gz SAMNUGJBPCSENR-LBPRGKRZSA-N 2 1 297.403 -0.798 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333949257 353014470 /nfs/dbraw/zinc/01/44/70/353014470.db2.gz XCDORWGQNQCLDR-ZIAGYGMSSA-N 2 1 295.431 -0.230 20 0 CBADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000336820190 353060038 /nfs/dbraw/zinc/06/00/38/353060038.db2.gz CAZLKVAURFUXKX-CQSZACIVSA-N 2 1 282.388 -0.184 20 0 CBADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000336820190 353060040 /nfs/dbraw/zinc/06/00/40/353060040.db2.gz CAZLKVAURFUXKX-CQSZACIVSA-N 2 1 282.388 -0.184 20 0 CBADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)NC(N)=O ZINC000337222714 353079853 /nfs/dbraw/zinc/07/98/53/353079853.db2.gz FTOGNTBTDRJOLS-UHFFFAOYSA-N 2 1 256.350 -0.011 20 0 CBADMP C[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)[NH+](C)C ZINC000338027696 353085649 /nfs/dbraw/zinc/08/56/49/353085649.db2.gz AMYBJQHQCFUVRH-NEPJUHHUSA-N 2 1 256.394 -0.311 20 0 CBADMP CC(C)[N@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338234279 353090634 /nfs/dbraw/zinc/09/06/34/353090634.db2.gz MTIWSBDBOGBAJC-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP CC(C)[N@@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338234279 353090637 /nfs/dbraw/zinc/09/06/37/353090637.db2.gz MTIWSBDBOGBAJC-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP CNC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338239981 353091066 /nfs/dbraw/zinc/09/10/66/353091066.db2.gz SLRJODSWWCNBGV-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CNC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338239981 353091068 /nfs/dbraw/zinc/09/10/68/353091068.db2.gz SLRJODSWWCNBGV-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(C)(O)CC2)CC1 ZINC000338290884 353093761 /nfs/dbraw/zinc/09/37/61/353093761.db2.gz WKTQTYQLUAOALS-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@](C)(O)C2)CC1 ZINC000338311555 353095061 /nfs/dbraw/zinc/09/50/61/353095061.db2.gz FSVWZYSHXDTMSN-CYBMUJFWSA-N 2 1 255.362 -0.393 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@](C)(O)C2)CC1 ZINC000338311555 353095063 /nfs/dbraw/zinc/09/50/63/353095063.db2.gz FSVWZYSHXDTMSN-CYBMUJFWSA-N 2 1 255.362 -0.393 20 0 CBADMP CC[N@H+](CCCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338321594 353095426 /nfs/dbraw/zinc/09/54/26/353095426.db2.gz TYQCGGAFOXQVFM-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP CC[N@@H+](CCCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338321594 353095429 /nfs/dbraw/zinc/09/54/29/353095429.db2.gz TYQCGGAFOXQVFM-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP COCC[C@]1([NH2+]CCC(=O)N2CC[NH+](C)CC2)CCOC1 ZINC000338349494 353097869 /nfs/dbraw/zinc/09/78/69/353097869.db2.gz NQJTWIGVAPDOLC-HNNXBMFYSA-N 2 1 299.415 -0.064 20 0 CBADMP C[N@H+](CCCCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338353721 353097887 /nfs/dbraw/zinc/09/78/87/353097887.db2.gz XJXPFJACWIDQFF-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP C[N@@H+](CCCCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338353721 353097888 /nfs/dbraw/zinc/09/78/88/353097888.db2.gz XJXPFJACWIDQFF-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP COCC[C@@]1([NH2+]CCC(=O)N2CC[NH+](C)CC2)CCOC1 ZINC000338349496 353097984 /nfs/dbraw/zinc/09/79/84/353097984.db2.gz NQJTWIGVAPDOLC-OAHLLOKOSA-N 2 1 299.415 -0.064 20 0 CBADMP COCCO[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338389920 353100378 /nfs/dbraw/zinc/10/03/78/353100378.db2.gz SHBZPMZRVCABPR-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP COCCO[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338389920 353100379 /nfs/dbraw/zinc/10/03/79/353100379.db2.gz SHBZPMZRVCABPR-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP CO[C@@H]1C[NH+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1OC ZINC000338385916 353100398 /nfs/dbraw/zinc/10/03/98/353100398.db2.gz QKYADHGHAYGYAO-CHWSQXEVSA-N 2 1 285.388 -0.504 20 0 CBADMP COCCO[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338389921 353100525 /nfs/dbraw/zinc/10/05/25/353100525.db2.gz SHBZPMZRVCABPR-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP COCCO[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338389921 353100527 /nfs/dbraw/zinc/10/05/27/353100527.db2.gz SHBZPMZRVCABPR-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000339582170 353135549 /nfs/dbraw/zinc/13/55/49/353135549.db2.gz OZIXAFDUAFEPNI-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H]([NH3+])CC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000340184495 353154910 /nfs/dbraw/zinc/15/49/10/353154910.db2.gz MIECAGGNDWXRKE-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](CNC(=O)C[C@H](C)[NH3+])CN1CC[NH+](C)CC1 ZINC000340185248 353155011 /nfs/dbraw/zinc/15/50/11/353155011.db2.gz JTDXMVVMVCYYHJ-NEPJUHHUSA-N 2 1 256.394 -0.277 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000340953056 353193971 /nfs/dbraw/zinc/19/39/71/353193971.db2.gz JEZZSXWJHPPRLK-CHWSQXEVSA-N 2 1 270.421 -0.065 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000340961623 353194985 /nfs/dbraw/zinc/19/49/85/353194985.db2.gz RPSGTXQFEJIORJ-AWEZNQCLSA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000340690706 353182842 /nfs/dbraw/zinc/18/28/42/353182842.db2.gz QMXPPYYIYXKUCV-ZDUSSCGKSA-N 2 1 268.405 -0.214 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000342765444 353231685 /nfs/dbraw/zinc/23/16/85/353231685.db2.gz OJZPACZCIJZMMJ-TUAOUCFPSA-N 2 1 283.372 -0.038 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]([NH3+])CCC(=O)OC)C1CC1 ZINC000342767008 353231755 /nfs/dbraw/zinc/23/17/55/353231755.db2.gz ZQDVKAPTYHUQCO-LLVKDONJSA-N 2 1 271.361 -0.133 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC[NH+](C)C ZINC000342665307 353226533 /nfs/dbraw/zinc/22/65/33/353226533.db2.gz LSAVOVJGGDLSPC-NSHDSACASA-N 2 1 257.382 -0.907 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000342693783 353228298 /nfs/dbraw/zinc/22/82/98/353228298.db2.gz NAWVZFJEXKQEFY-LBPRGKRZSA-N 2 1 283.372 -0.179 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000342695932 353228316 /nfs/dbraw/zinc/22/83/16/353228316.db2.gz GXMHMZMXYLDZHK-WDEREUQCSA-N 2 1 287.360 -0.896 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000342693983 353228322 /nfs/dbraw/zinc/22/83/22/353228322.db2.gz FSBZPOVVGUZNMC-RYUDHWBXSA-N 2 1 282.388 -0.558 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3COCC[NH2+]3)C[C@H]21 ZINC000342716650 353229145 /nfs/dbraw/zinc/22/91/45/353229145.db2.gz DFVLLDLUBIAJLX-KKOKHZNYSA-N 2 1 253.346 -0.439 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000342737576 353230451 /nfs/dbraw/zinc/23/04/51/353230451.db2.gz NFOWFCRIUUCEMM-VHSXEESVSA-N 2 1 257.334 -0.571 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000342737576 353230454 /nfs/dbraw/zinc/23/04/54/353230454.db2.gz NFOWFCRIUUCEMM-VHSXEESVSA-N 2 1 257.334 -0.571 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343485579 353274839 /nfs/dbraw/zinc/27/48/39/353274839.db2.gz RXSLIGMSBSCBTC-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP CN(C(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1CCC[N@@H+](C)C1 ZINC000343557768 353278688 /nfs/dbraw/zinc/27/86/88/353278688.db2.gz ZZVRFRYRCYFXBS-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCC[NH+](C)C1 ZINC000343557768 353278691 /nfs/dbraw/zinc/27/86/91/353278691.db2.gz ZZVRFRYRCYFXBS-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C(=O)[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1CCC[NH+](C)C1 ZINC000343557768 353278692 /nfs/dbraw/zinc/27/86/92/353278692.db2.gz ZZVRFRYRCYFXBS-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343260450 353262141 /nfs/dbraw/zinc/26/21/41/353262141.db2.gz JKQURACCIKHWPC-AWEZNQCLSA-N 2 1 280.416 -0.070 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343588988 353280447 /nfs/dbraw/zinc/28/04/47/353280447.db2.gz SGFZSNABGRVCQP-ZIAGYGMSSA-N 2 1 296.415 -0.787 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343588988 353280448 /nfs/dbraw/zinc/28/04/48/353280448.db2.gz SGFZSNABGRVCQP-ZIAGYGMSSA-N 2 1 296.415 -0.787 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343588988 353280449 /nfs/dbraw/zinc/28/04/49/353280449.db2.gz SGFZSNABGRVCQP-ZIAGYGMSSA-N 2 1 296.415 -0.787 20 0 CBADMP CS(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155825878 188229846 /nfs/dbraw/zinc/22/98/46/188229846.db2.gz GZMNBZKZCKGHRC-WDEREUQCSA-N 2 1 261.391 -0.248 20 0 CBADMP CS(=O)(=O)NCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155825878 188229847 /nfs/dbraw/zinc/22/98/47/188229847.db2.gz GZMNBZKZCKGHRC-WDEREUQCSA-N 2 1 261.391 -0.248 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343573314 353279719 /nfs/dbraw/zinc/27/97/19/353279719.db2.gz YSEMAKSBPYCNCS-CHWSQXEVSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343573314 353279721 /nfs/dbraw/zinc/27/97/21/353279721.db2.gz YSEMAKSBPYCNCS-CHWSQXEVSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343573314 353279723 /nfs/dbraw/zinc/27/97/23/353279723.db2.gz YSEMAKSBPYCNCS-CHWSQXEVSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343573314 353279724 /nfs/dbraw/zinc/27/97/24/353279724.db2.gz YSEMAKSBPYCNCS-CHWSQXEVSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)[C@H](C)[NH3+] ZINC000156752561 188280002 /nfs/dbraw/zinc/28/00/02/188280002.db2.gz NOZYZSMMIIIDEG-NEPJUHHUSA-N 2 1 256.394 -0.277 20 0 CBADMP C[NH+](C)CCNC1CC[NH+](CCN2CCOCC2)CC1 ZINC000348340145 353420337 /nfs/dbraw/zinc/42/03/37/353420337.db2.gz XIZYKJWCIRNJJR-UHFFFAOYSA-N 2 1 284.448 -0.066 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000252651561 137690630 /nfs/dbraw/zinc/69/06/30/137690630.db2.gz RIQXKSFLRDPSNG-AVGNSLFASA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000348987146 353443377 /nfs/dbraw/zinc/44/33/77/353443377.db2.gz DZVUHIHLNWOIAN-OCCSQVGLSA-N 2 1 297.399 -0.456 20 0 CBADMP C[C@H]1C[C@H](NC(=O)CCOC2C[NH2+]C2)CC[N@H+]1C ZINC000348988513 353443460 /nfs/dbraw/zinc/44/34/60/353443460.db2.gz HXODRRVWEKSSTK-WDEREUQCSA-N 2 1 255.362 -0.036 20 0 CBADMP CN1CC[NH+](CCCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349006152 353444596 /nfs/dbraw/zinc/44/45/96/353444596.db2.gz SYLLJGFPGPHHOG-UHFFFAOYSA-N 2 1 284.404 -0.881 20 0 CBADMP C[C@H](CNC(=O)CCOC1C[NH2+]C1)[N@@H+](C)C1CC1 ZINC000349030832 353445410 /nfs/dbraw/zinc/44/54/10/353445410.db2.gz SZKZATMUJJOARM-SNVBAGLBSA-N 2 1 255.362 -0.036 20 0 CBADMP CC(C)[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000349119406 353450012 /nfs/dbraw/zinc/45/00/12/353450012.db2.gz PQKACNRINOHEQM-AWEZNQCLSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(=O)N1CC[NH2+]C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000349194171 353451178 /nfs/dbraw/zinc/45/11/78/353451178.db2.gz CKACWTVJQKGBPT-GFCCVEGCSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000349530019 353454593 /nfs/dbraw/zinc/45/45/93/353454593.db2.gz ZYIJPIFPMKSLJZ-GFCCVEGCSA-N 2 1 284.404 -0.211 20 0 CBADMP CC(C)CN(CC(N)=O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351287998 353474847 /nfs/dbraw/zinc/47/48/47/353474847.db2.gz KSMYAPDAAMRJET-GFCCVEGCSA-N 2 1 257.378 -0.115 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351498367 353476054 /nfs/dbraw/zinc/47/60/54/353476054.db2.gz VPDXEWUFPDXSGL-HBNTYKKESA-N 2 1 261.391 -0.405 20 0 CBADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351653444 353476633 /nfs/dbraw/zinc/47/66/33/353476633.db2.gz VRQHNKKYLXQYPB-UPJWGTAASA-N 2 1 269.389 -0.054 20 0 CBADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351653444 353476636 /nfs/dbraw/zinc/47/66/36/353476636.db2.gz VRQHNKKYLXQYPB-UPJWGTAASA-N 2 1 269.389 -0.054 20 0 CBADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353245649 353530171 /nfs/dbraw/zinc/53/01/71/353530171.db2.gz OUPUCRUXTPEZAR-QWRGUYRKSA-N 2 1 270.377 -0.717 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353245649 353530175 /nfs/dbraw/zinc/53/01/75/353530175.db2.gz OUPUCRUXTPEZAR-QWRGUYRKSA-N 2 1 270.377 -0.717 20 0 CBADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353244746 353530213 /nfs/dbraw/zinc/53/02/13/353530213.db2.gz OUPUCRUXTPEZAR-MNOVXSKESA-N 2 1 270.377 -0.717 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353244746 353530215 /nfs/dbraw/zinc/53/02/15/353530215.db2.gz OUPUCRUXTPEZAR-MNOVXSKESA-N 2 1 270.377 -0.717 20 0 CBADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353244745 353530340 /nfs/dbraw/zinc/53/03/40/353530340.db2.gz OUPUCRUXTPEZAR-GHMZBOCLSA-N 2 1 270.377 -0.717 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353244745 353530342 /nfs/dbraw/zinc/53/03/42/353530342.db2.gz OUPUCRUXTPEZAR-GHMZBOCLSA-N 2 1 270.377 -0.717 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@H](C[NH3+])OC)C[C@H]1C ZINC000353427896 353532400 /nfs/dbraw/zinc/53/24/00/353532400.db2.gz LZKGBMAZNWQWDU-MNOVXSKESA-N 2 1 259.350 -0.861 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@H](C[NH3+])OC)C[C@H]1C ZINC000353427896 353532403 /nfs/dbraw/zinc/53/24/03/353532403.db2.gz LZKGBMAZNWQWDU-MNOVXSKESA-N 2 1 259.350 -0.861 20 0 CBADMP C[NH+](CCOCC[N@H+](C)C1CC(O)C1)C1CC(O)C1 ZINC000353488125 353532690 /nfs/dbraw/zinc/53/26/90/353532690.db2.gz NUDDUASSDDWHBA-UHFFFAOYSA-N 2 1 272.389 -0.087 20 0 CBADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353498877 353533082 /nfs/dbraw/zinc/53/30/82/353533082.db2.gz CVEWSGJEKHEFMJ-IJLUTSLNSA-N 2 1 284.404 -0.327 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354706261 353579677 /nfs/dbraw/zinc/57/96/77/353579677.db2.gz KGEBKWNJQLYTEF-QWHCGFSZSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000355142125 353587715 /nfs/dbraw/zinc/58/77/15/353587715.db2.gz WCDDUTZCIQSKGL-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000355168674 353588756 /nfs/dbraw/zinc/58/87/56/353588756.db2.gz UKDVDWUAFZYMGC-UONOGXRCSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000355168674 353588760 /nfs/dbraw/zinc/58/87/60/353588760.db2.gz UKDVDWUAFZYMGC-UONOGXRCSA-N 2 1 299.415 -0.597 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCN1CC[NH+](C)CC1 ZINC000355475171 353591883 /nfs/dbraw/zinc/59/18/83/353591883.db2.gz RTCWZNOVZMTRID-UHFFFAOYSA-N 2 1 256.394 -0.308 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(=O)n(C)c1=O ZINC000357110588 353601325 /nfs/dbraw/zinc/60/13/25/353601325.db2.gz ZVPACDWUJROFBP-GHMZBOCLSA-N 2 1 278.356 -0.875 20 0 CBADMP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000358097975 353626080 /nfs/dbraw/zinc/62/60/80/353626080.db2.gz OCVSPERBLQYKOO-KGLIPLIRSA-N 2 1 280.416 -0.214 20 0 CBADMP CN(C)C(=O)N1CCC([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358160266 353630136 /nfs/dbraw/zinc/63/01/36/353630136.db2.gz KFIMXHWRYVYCAM-CQSZACIVSA-N 2 1 284.404 -0.211 20 0 CBADMP CN(C)C(=O)N1CCC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358160266 353630138 /nfs/dbraw/zinc/63/01/38/353630138.db2.gz KFIMXHWRYVYCAM-CQSZACIVSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357932600 353615605 /nfs/dbraw/zinc/61/56/05/353615605.db2.gz QKMZOZNJYHMRAW-KLHWPWHYSA-N 2 1 253.346 -0.692 20 0 CBADMP CC[NH+](CC)CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000358015501 353619738 /nfs/dbraw/zinc/61/97/38/353619738.db2.gz QFTOLOALQLWXLR-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363478488 353669862 /nfs/dbraw/zinc/66/98/62/353669862.db2.gz LUKNLUZCCZPGJB-UONOGXRCSA-N 2 1 280.416 -0.025 20 0 CBADMP O=C([C@H]1COCC[NH2+]1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364564625 353672260 /nfs/dbraw/zinc/67/22/60/353672260.db2.gz UUQGXVCFDQVSOQ-GFCCVEGCSA-N 2 1 267.373 -0.033 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000365105207 353672656 /nfs/dbraw/zinc/67/26/56/353672656.db2.gz NKEJSYXJZBKSRJ-MGAJPHDKSA-N 2 1 267.373 -0.038 20 0 CBADMP C[NH2+]CCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000367649338 353682951 /nfs/dbraw/zinc/68/29/51/353682951.db2.gz RYOYHNSWUMJWKU-LLVKDONJSA-N 2 1 268.361 -0.981 20 0 CBADMP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)C1C[NH2+]C1 ZINC000367831409 353683668 /nfs/dbraw/zinc/68/36/68/353683668.db2.gz LDAMMTBOWWIFMX-VXGBXAGGSA-N 2 1 253.346 -0.425 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)C1C[NH2+]C1 ZINC000367831409 353683670 /nfs/dbraw/zinc/68/36/70/353683670.db2.gz LDAMMTBOWWIFMX-VXGBXAGGSA-N 2 1 253.346 -0.425 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371226880 353697757 /nfs/dbraw/zinc/69/77/57/353697757.db2.gz CVXWSILFMOREEI-STQMWFEESA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCN1CCC2)C1CC1 ZINC000371249783 353699361 /nfs/dbraw/zinc/69/93/61/353699361.db2.gz OHEMBHBTAFSVLK-CYBMUJFWSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C1CC1 ZINC000371249783 353699366 /nfs/dbraw/zinc/69/93/66/353699366.db2.gz OHEMBHBTAFSVLK-CYBMUJFWSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C1CC1 ZINC000371249783 353699368 /nfs/dbraw/zinc/69/93/68/353699368.db2.gz OHEMBHBTAFSVLK-CYBMUJFWSA-N 2 1 266.389 -0.413 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C1CC1 ZINC000371249784 353699399 /nfs/dbraw/zinc/69/93/99/353699399.db2.gz OHEMBHBTAFSVLK-ZDUSSCGKSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CC1 ZINC000371249784 353699403 /nfs/dbraw/zinc/69/94/03/353699403.db2.gz OHEMBHBTAFSVLK-ZDUSSCGKSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C1CC1 ZINC000371249784 353699406 /nfs/dbraw/zinc/69/94/06/353699406.db2.gz OHEMBHBTAFSVLK-ZDUSSCGKSA-N 2 1 266.389 -0.413 20 0 CBADMP CC1(C[NH+]2CCOCC2)CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000371425799 353701417 /nfs/dbraw/zinc/70/14/17/353701417.db2.gz NGFAEICOLYELFH-UHFFFAOYSA-N 2 1 298.387 -0.384 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000371490338 353702232 /nfs/dbraw/zinc/70/22/32/353702232.db2.gz DSBUOAWZQJBYHU-UWVGGRQHSA-N 2 1 279.344 -0.060 20 0 CBADMP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC[NH+](CC2CC2)CC1 ZINC000372355992 353715478 /nfs/dbraw/zinc/71/54/78/353715478.db2.gz KFLSLEQERNLPFG-HNNXBMFYSA-N 2 1 292.427 -0.070 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000372424563 353717246 /nfs/dbraw/zinc/71/72/46/353717246.db2.gz DZUNEDUUDFOFFQ-JSGCOSHPSA-N 2 1 267.373 -0.223 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000372505869 353717680 /nfs/dbraw/zinc/71/76/80/353717680.db2.gz NEJOWYJTWXIPQL-SGMGOOAPSA-N 2 1 267.373 -0.177 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC(O)(C3CC3)C2)CC1 ZINC000372689560 353720987 /nfs/dbraw/zinc/72/09/87/353720987.db2.gz DWIKGKZOCGKZSA-GFCCVEGCSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@@H+]1CC[C@H]2CCN(CC(=O)N3CC[NH+](C)CC3)C[C@H]21 ZINC000375030494 353752757 /nfs/dbraw/zinc/75/27/57/353752757.db2.gz KZPJONBGKWHFBE-UONOGXRCSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(CC(=O)N3CC[NH+](C)CC3)C[C@H]21 ZINC000375030494 353752759 /nfs/dbraw/zinc/75/27/59/353752759.db2.gz KZPJONBGKWHFBE-UONOGXRCSA-N 2 1 280.416 -0.214 20 0 CBADMP C[C@H](C[NH3+])C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000375833454 353768135 /nfs/dbraw/zinc/76/81/35/353768135.db2.gz ICYKSWDUGIZZHD-CHWSQXEVSA-N 2 1 268.405 -0.180 20 0 CBADMP CNS(=O)(=O)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000375898839 353768874 /nfs/dbraw/zinc/76/88/74/353768874.db2.gz YHWOPFJODBXKKK-TUAOUCFPSA-N 2 1 275.418 -0.002 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000375898839 353768879 /nfs/dbraw/zinc/76/88/79/353768879.db2.gz YHWOPFJODBXKKK-TUAOUCFPSA-N 2 1 275.418 -0.002 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000378207875 353780222 /nfs/dbraw/zinc/78/02/22/353780222.db2.gz SQEURUSZXQEPMA-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402819546 353804735 /nfs/dbraw/zinc/80/47/35/353804735.db2.gz ALHQRIKTPBKLRH-AUTRQRHGSA-N 2 1 254.334 -0.369 20 0 CBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402819546 353804738 /nfs/dbraw/zinc/80/47/38/353804738.db2.gz ALHQRIKTPBKLRH-AUTRQRHGSA-N 2 1 254.334 -0.369 20 0 CBADMP CCO[C@@H]1C[N@@H+](CCC(=O)NC(=O)NC)C[C@H]1C[NH3+] ZINC000405530503 353807951 /nfs/dbraw/zinc/80/79/51/353807951.db2.gz MLMMJNGRVXDDOC-NXEZZACHSA-N 2 1 272.349 -0.872 20 0 CBADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000385364197 353787594 /nfs/dbraw/zinc/78/75/94/353787594.db2.gz LGPFKYOJZXUXCF-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C)C[C@H]1CCC[NH+]1C ZINC000388891486 353790261 /nfs/dbraw/zinc/79/02/61/353790261.db2.gz FWFWMVPSIDCIQY-KGLIPLIRSA-N 2 1 273.421 -0.049 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN(C)C[C@H]1CCC[N@@H+]1C ZINC000388891486 353790264 /nfs/dbraw/zinc/79/02/64/353790264.db2.gz FWFWMVPSIDCIQY-KGLIPLIRSA-N 2 1 273.421 -0.049 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN(C)C[C@H]1CCC[N@H+]1C ZINC000388891486 353790266 /nfs/dbraw/zinc/79/02/66/353790266.db2.gz FWFWMVPSIDCIQY-KGLIPLIRSA-N 2 1 273.421 -0.049 20 0 CBADMP COC[C@]1(C(=O)NCC[N@@H+]2CC=CCC2)CC[NH2+]C1 ZINC000392965140 353792835 /nfs/dbraw/zinc/79/28/35/353792835.db2.gz RMHSGTHOCJEUNY-AWEZNQCLSA-N 2 1 267.373 -0.009 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000410993825 353939456 /nfs/dbraw/zinc/93/94/56/353939456.db2.gz ZEHJRRRHHTUVLX-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000410993826 353939637 /nfs/dbraw/zinc/93/96/37/353939637.db2.gz ZEHJRRRHHTUVLX-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCC[NH2+]1 ZINC000416784891 353972793 /nfs/dbraw/zinc/97/27/93/353972793.db2.gz AJCNMBWALXLRQS-LBPRGKRZSA-N 2 1 270.377 -0.240 20 0 CBADMP C[C@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000416789640 353973208 /nfs/dbraw/zinc/97/32/08/353973208.db2.gz KQJNLIMTRZCMDD-LBPRGKRZSA-N 2 1 270.377 -0.288 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)C[NH3+])C1 ZINC000416873441 353973835 /nfs/dbraw/zinc/97/38/35/353973835.db2.gz RQJAFCACVOQUMI-VXGBXAGGSA-N 2 1 272.393 -0.010 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417085971 353975687 /nfs/dbraw/zinc/97/56/87/353975687.db2.gz BYWHJZXJQWUKOS-GFCCVEGCSA-N 2 1 272.393 -0.009 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C(=O)NCC[N@@H+](C)CCOC ZINC000417437398 353977336 /nfs/dbraw/zinc/97/73/36/353977336.db2.gz HFSTUINYHKTXOK-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)NCC[N@@H+](C)CCOC ZINC000417443366 353977930 /nfs/dbraw/zinc/97/79/30/353977930.db2.gz YAUNYTXDVUQOGQ-LLVKDONJSA-N 2 1 260.382 -0.138 20 0 CBADMP C[NH2+][C@H]1CCCN(C(=O)NCC[N@@H+](C)CCOC)C1 ZINC000417442504 353978044 /nfs/dbraw/zinc/97/80/44/353978044.db2.gz UVTYUNDVVGJTCS-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417612923 353980761 /nfs/dbraw/zinc/98/07/61/353980761.db2.gz RULIHWQWHJOWEE-ZDUSSCGKSA-N 2 1 285.436 -0.079 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)N(CC[NH3+])CCO ZINC000417616333 353980910 /nfs/dbraw/zinc/98/09/10/353980910.db2.gz YQTOKFGSAXKISK-UHFFFAOYSA-N 2 1 260.382 -0.319 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000417705482 353981093 /nfs/dbraw/zinc/98/10/93/353981093.db2.gz LYQYSYHJHPYFGE-VXGBXAGGSA-N 2 1 270.377 -0.160 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000417705544 353981142 /nfs/dbraw/zinc/98/11/42/353981142.db2.gz MENNLUPTSOQUDS-NWDGAFQWSA-N 2 1 272.393 -0.010 20 0 CBADMP COCC[NH2+]CCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000417629685 353981190 /nfs/dbraw/zinc/98/11/90/353981190.db2.gz SQYNNLAEKMUUMW-UHFFFAOYSA-N 2 1 258.366 -0.384 20 0 CBADMP CC[NH2+]CCNC(=O)NCC[NH+]1CCSCC1 ZINC000417614843 353981295 /nfs/dbraw/zinc/98/12/95/353981295.db2.gz VYPBTOCFYYBJAU-UHFFFAOYSA-N 2 1 260.407 -0.056 20 0 CBADMP C[C@@H](CNC(=O)N[C@@H](C)CC[NH3+])C[NH+]1CCOCC1 ZINC000417736346 353981905 /nfs/dbraw/zinc/98/19/05/353981905.db2.gz WXLTYLDJVFLVRM-RYUDHWBXSA-N 2 1 272.393 -0.009 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000417715910 353982032 /nfs/dbraw/zinc/98/20/32/353982032.db2.gz TWYJNSPOWSIAJT-NWDGAFQWSA-N 2 1 270.377 -0.256 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000417708046 353982296 /nfs/dbraw/zinc/98/22/96/353982296.db2.gz OABWALLSQQSSGL-RYUDHWBXSA-N 2 1 272.393 -0.138 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)NCC[N@@H+](C)CCCOC)C1 ZINC000417741317 353983004 /nfs/dbraw/zinc/98/30/04/353983004.db2.gz ADBRFQRGZXGBHK-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH2+]CC1 ZINC000417754914 353983120 /nfs/dbraw/zinc/98/31/20/353983120.db2.gz QHTRIKICLSQAJR-UHFFFAOYSA-N 2 1 258.366 -0.431 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417756111 353983233 /nfs/dbraw/zinc/98/32/33/353983233.db2.gz RRTPJHFQSAAGCY-LBPRGKRZSA-N 2 1 272.393 -0.009 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CCO[C@H](C[NH3+])C2)CCC[N@H+]1C ZINC000417993286 353985260 /nfs/dbraw/zinc/98/52/60/353985260.db2.gz AKBFWVQZFMSHAN-UTUOFQBUSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@H]1[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)CCC[N@H+]1C ZINC000418004227 353986704 /nfs/dbraw/zinc/98/67/04/353986704.db2.gz NXXKFBZJTCJNET-NWDGAFQWSA-N 2 1 282.388 -0.147 20 0 CBADMP C[NH2+]CCCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000418279150 353990494 /nfs/dbraw/zinc/99/04/94/353990494.db2.gz OIOANZOTWSVTLL-RYUDHWBXSA-N 2 1 272.393 -0.308 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H](C)C[NH2+]C ZINC000418351907 353993753 /nfs/dbraw/zinc/99/37/53/353993753.db2.gz BPCGQYQIEJCJBO-LLVKDONJSA-N 2 1 260.382 -0.545 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418335657 353993759 /nfs/dbraw/zinc/99/37/59/353993759.db2.gz HIBUIRZMIRXZBU-MRVPVSSYSA-N 2 1 250.293 -0.121 20 0 CBADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)N[C@H]1CCC[NH2+]C1 ZINC000418375631 353994613 /nfs/dbraw/zinc/99/46/13/353994613.db2.gz FAKVZIGYDUETQM-QWHCGFSZSA-N 2 1 284.404 -0.116 20 0 CBADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC[C@@H]1CCC[NH2+]1 ZINC000418361135 353995189 /nfs/dbraw/zinc/99/51/89/353995189.db2.gz GSYFTMBIIBOQQC-QWHCGFSZSA-N 2 1 284.404 -0.116 20 0 CBADMP COCC[NH+]1CCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000418463218 353997858 /nfs/dbraw/zinc/99/78/58/353997858.db2.gz CSRYFRVGTUAVLP-LLVKDONJSA-N 2 1 258.366 -0.445 20 0 CBADMP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000418424173 353996504 /nfs/dbraw/zinc/99/65/04/353996504.db2.gz GMVDICQPUOXXAU-YPMHNXCESA-N 2 1 272.393 -0.274 20 0 CBADMP C[NH+](C)C1(CNC(=O)C(=O)NCC(F)(F)C[NH3+])CCC1 ZINC000419248153 354041586 /nfs/dbraw/zinc/04/15/86/354041586.db2.gz XWDNASRRPRNGFQ-UHFFFAOYSA-N 2 1 292.330 -0.703 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418549444 354002015 /nfs/dbraw/zinc/00/20/15/354002015.db2.gz KSNKRIMIRMTVNB-RYUDHWBXSA-N 2 1 272.393 -0.402 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418533640 354002272 /nfs/dbraw/zinc/00/22/72/354002272.db2.gz DOMMZPJIPMPISC-AWEZNQCLSA-N 2 1 286.420 -0.011 20 0 CBADMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418665798 354004874 /nfs/dbraw/zinc/00/48/74/354004874.db2.gz CUSCQYIRLLLGIW-NDBYEHHHSA-N 2 1 282.388 -0.650 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000418739090 354005780 /nfs/dbraw/zinc/00/57/80/354005780.db2.gz YCUTZOVGXPGMCQ-TUAOUCFPSA-N 2 1 272.393 -0.180 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000418734390 354005885 /nfs/dbraw/zinc/00/58/85/354005885.db2.gz RYVUTCLEKYWUCU-NWDGAFQWSA-N 2 1 272.393 -0.130 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000418732226 354006023 /nfs/dbraw/zinc/00/60/23/354006023.db2.gz QNMVVBPTVSQDLR-NEPJUHHUSA-N 2 1 272.393 -0.130 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418781566 354008795 /nfs/dbraw/zinc/00/87/95/354008795.db2.gz CRPFISFTUZMPBD-BFHYXJOUSA-N 2 1 298.431 -0.012 20 0 CBADMP 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 354016271 /nfs/dbraw/zinc/01/62/71/354016271.db2.gz CISKPIMCISBIKW-FVCCEPFGSA-N 2 1 296.415 -0.206 20 0 CBADMP 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 354017771 /nfs/dbraw/zinc/01/77/71/354017771.db2.gz GOFXENTYPJTYEU-FDYHWXHSSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000418972170 354018231 /nfs/dbraw/zinc/01/82/31/354018231.db2.gz YHAUDGGSHAXLCI-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP 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 354023997 /nfs/dbraw/zinc/02/39/97/354023997.db2.gz CVUSIUXPAPZSSG-RNJOBUHISA-N 2 1 298.431 -0.068 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419080736 354027245 /nfs/dbraw/zinc/02/72/45/354027245.db2.gz QFMCJNRPRWOAQE-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419144916 354032142 /nfs/dbraw/zinc/03/21/42/354032142.db2.gz HBHXSOYONVZTNY-QMMMGPOBSA-N 2 1 280.319 -0.847 20 0 CBADMP [NH3+]CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000419183820 354035489 /nfs/dbraw/zinc/03/54/89/354035489.db2.gz MSQRODQPMIXVSI-ZDUSSCGKSA-N 2 1 296.415 -0.025 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000419217698 354037348 /nfs/dbraw/zinc/03/73/48/354037348.db2.gz DVQOBHQAKUBDLD-GFCCVEGCSA-N 2 1 282.388 -0.521 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419282288 354043474 /nfs/dbraw/zinc/04/34/74/354043474.db2.gz HTQXLPSDGZOVAN-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000419222940 354037814 /nfs/dbraw/zinc/03/78/14/354037814.db2.gz LMTCTEBJFABPIR-CHWSQXEVSA-N 2 1 294.399 -0.440 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCC[N@H+]1C ZINC000419558483 354061518 /nfs/dbraw/zinc/06/15/18/354061518.db2.gz NYIRUFVBHFUSLC-JLLWLGSASA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419560490 354061664 /nfs/dbraw/zinc/06/16/64/354061664.db2.gz RAPAMRCJJAYMMO-NDBYEHHHSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000419557094 354061870 /nfs/dbraw/zinc/06/18/70/354061870.db2.gz LUKMAYHZFYDTOM-ZDEQEGDKSA-N 2 1 296.415 -0.158 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000419561055 354061923 /nfs/dbraw/zinc/06/19/23/354061923.db2.gz RWHXITCQIKSEQM-TUAOUCFPSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)CCC[N@H+]1C ZINC000419564095 354062452 /nfs/dbraw/zinc/06/24/52/354062452.db2.gz WZEUMCBEOKUEOW-AAEUAGOBSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[N@@H+](C)C1CC1 ZINC000419591449 354065054 /nfs/dbraw/zinc/06/50/54/354065054.db2.gz RCXHDZXANKAGIQ-UTUOFQBUSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419700070 354071551 /nfs/dbraw/zinc/07/15/51/354071551.db2.gz WYRNGJCJLRTULO-RYUDHWBXSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419740886 354074668 /nfs/dbraw/zinc/07/46/68/354074668.db2.gz YOJGDECMYQFKOX-AAEUAGOBSA-N 2 1 296.415 -0.027 20 0 CBADMP CCC[N@H+](CC)CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419764374 354075606 /nfs/dbraw/zinc/07/56/06/354075606.db2.gz PDPZRGBYBBETLL-UHFFFAOYSA-N 2 1 294.346 -0.455 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419764374 354075607 /nfs/dbraw/zinc/07/56/07/354075607.db2.gz PDPZRGBYBBETLL-UHFFFAOYSA-N 2 1 294.346 -0.455 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419759796 354075631 /nfs/dbraw/zinc/07/56/31/354075631.db2.gz HRUZRHBBGSPTMA-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419780240 354077603 /nfs/dbraw/zinc/07/76/03/354077603.db2.gz QNOYFHMEDJRNOE-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000419774932 354077724 /nfs/dbraw/zinc/07/77/24/354077724.db2.gz KFJUJMKZZCOGEN-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419821059 354080579 /nfs/dbraw/zinc/08/05/79/354080579.db2.gz KRSAFZTVZRQSIB-JHJVBQTASA-N 2 1 296.415 -0.156 20 0 CBADMP [NH3+]CCCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000419831853 354081431 /nfs/dbraw/zinc/08/14/31/354081431.db2.gz MMPZXPUBNZTVSU-UHFFFAOYSA-N 2 1 268.361 -0.994 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419838006 354082491 /nfs/dbraw/zinc/08/24/91/354082491.db2.gz DUSYNTNSJNCURI-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC[NH2+]C ZINC000419841612 354083150 /nfs/dbraw/zinc/08/31/50/354083150.db2.gz GLFTWSPKIVCHPB-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419847375 354083737 /nfs/dbraw/zinc/08/37/37/354083737.db2.gz SZRQLIDZZRKOGY-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000419846514 354083998 /nfs/dbraw/zinc/08/39/98/354083998.db2.gz QBDSWSHBWFEGTC-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419292337 354044302 /nfs/dbraw/zinc/04/43/02/354044302.db2.gz YHAYUKWCMREOAV-GFCCVEGCSA-N 2 1 284.404 -0.312 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419292141 354044500 /nfs/dbraw/zinc/04/45/00/354044500.db2.gz XUMUJDULCSZXJS-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419293048 354044645 /nfs/dbraw/zinc/04/46/45/354044645.db2.gz ZYNPJDUQGDLYRH-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419291214 354044810 /nfs/dbraw/zinc/04/48/10/354044810.db2.gz WPEZEFCBEPOSDZ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[N@H+]1C1CC1 ZINC000419316669 354045776 /nfs/dbraw/zinc/04/57/76/354045776.db2.gz LOWDFFROQGDGNG-QJPTWQEYSA-N 2 1 294.399 -0.452 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000419341351 354046816 /nfs/dbraw/zinc/04/68/16/354046816.db2.gz YLVLSVPHWYSYLU-WCQYABFASA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000419324315 354046989 /nfs/dbraw/zinc/04/69/89/354046989.db2.gz VNKLEOXSVJOLCF-WOPDTQHZSA-N 2 1 294.399 -0.323 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000419322406 354047028 /nfs/dbraw/zinc/04/70/28/354047028.db2.gz SIBHVNDBHQGFJC-WDEREUQCSA-N 2 1 282.388 -0.547 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000419336950 354047322 /nfs/dbraw/zinc/04/73/22/354047322.db2.gz QCJIISMOYBNSNX-DMDPSCGWSA-N 2 1 296.415 -0.443 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419333154 354047334 /nfs/dbraw/zinc/04/73/34/354047334.db2.gz LKWCSMAVMQFUDA-NQBHXWOUSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419333991 354047504 /nfs/dbraw/zinc/04/75/04/354047504.db2.gz MWLNWFQDTVTLSQ-JIMOISOXSA-N 2 1 294.399 -0.561 20 0 CBADMP [NH3+]CCNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419393609 354050344 /nfs/dbraw/zinc/05/03/44/354050344.db2.gz NIUOYUBXLPTETC-UHFFFAOYSA-N 2 1 290.367 -0.764 20 0 CBADMP [NH3+]CCNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419393609 354050345 /nfs/dbraw/zinc/05/03/45/354050345.db2.gz NIUOYUBXLPTETC-UHFFFAOYSA-N 2 1 290.367 -0.764 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419414709 354052283 /nfs/dbraw/zinc/05/22/83/354052283.db2.gz UHVHOPVOHVVDJF-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCC[NH3+])C1 ZINC000419410954 354052326 /nfs/dbraw/zinc/05/23/26/354052326.db2.gz PFYJULKTKWFRGK-NSHDSACASA-N 2 1 270.377 -0.701 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000419410141 354052611 /nfs/dbraw/zinc/05/26/11/354052611.db2.gz OGJWYVLAHMURLR-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419409624 354052788 /nfs/dbraw/zinc/05/27/88/354052788.db2.gz NFRYIYQMUVTYNY-STQMWFEESA-N 2 1 298.431 -0.194 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000419417656 354053029 /nfs/dbraw/zinc/05/30/29/354053029.db2.gz XKNJNTNCHILCGJ-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419415205 354053574 /nfs/dbraw/zinc/05/35/74/354053574.db2.gz UWVHNXZSZYVUNN-RYUDHWBXSA-N 2 1 284.404 -0.455 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419417176 354053849 /nfs/dbraw/zinc/05/38/49/354053849.db2.gz WZGYEXWAIDQEFB-OLZOCXBDSA-N 2 1 296.415 -0.297 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000419476179 354055551 /nfs/dbraw/zinc/05/55/51/354055551.db2.gz FYBPTUZPHLJFJI-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH2+]CC1)C1CC1 ZINC000419508845 354056228 /nfs/dbraw/zinc/05/62/28/354056228.db2.gz DHXWOVAFDATXHY-UHFFFAOYSA-N 2 1 268.361 -0.981 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000419509236 354057097 /nfs/dbraw/zinc/05/70/97/354057097.db2.gz DUJCXFJBDXRRJE-TXEJJXNPSA-N 2 1 294.399 -0.735 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419509202 354057548 /nfs/dbraw/zinc/05/75/48/354057548.db2.gz DODHTFQDFQOLKK-WDEREUQCSA-N 2 1 272.393 -0.456 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000419519086 354057749 /nfs/dbraw/zinc/05/77/49/354057749.db2.gz FOKHISIYAZSAQY-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419529435 354058204 /nfs/dbraw/zinc/05/82/04/354058204.db2.gz XTBIXCFVZGZPEH-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419526142 354058403 /nfs/dbraw/zinc/05/84/03/354058403.db2.gz SOLLZZAGGNCAIG-UWVGGRQHSA-N 2 1 258.366 -0.704 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419526353 354058648 /nfs/dbraw/zinc/05/86/48/354058648.db2.gz STNRKFGXZFICAX-AGIUHOORSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000419526168 354058677 /nfs/dbraw/zinc/05/86/77/354058677.db2.gz SRRRSLZZUVMEHV-NSHDSACASA-N 2 1 272.393 -0.441 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419530421 354058682 /nfs/dbraw/zinc/05/86/82/354058682.db2.gz ZHUNOYIBVWGHDM-MNOVXSKESA-N 2 1 270.377 -0.689 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C1CC1 ZINC000419530301 354058707 /nfs/dbraw/zinc/05/87/07/354058707.db2.gz YVDPWPQQAZDPIC-LBPRGKRZSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419528034 354058718 /nfs/dbraw/zinc/05/87/18/354058718.db2.gz VUDDCPRTFHDCJV-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419524563 354058723 /nfs/dbraw/zinc/05/87/23/354058723.db2.gz QFQDXTIHNAUWMR-PWSUYJOCSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC[NH2+]1 ZINC000419544330 354060342 /nfs/dbraw/zinc/06/03/42/354060342.db2.gz HLCGVNRNEZOEBJ-IJLUTSLNSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)CCC[N@H+]1C ZINC000419560741 354061082 /nfs/dbraw/zinc/06/10/82/354061082.db2.gz RODYEQDMKWAUSG-MNOVXSKESA-N 2 1 268.361 -0.983 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[N@H+]1C ZINC000419556633 354061161 /nfs/dbraw/zinc/06/11/61/354061161.db2.gz KWTYMLIQUNYINT-WUHRBBMRSA-N 2 1 294.399 -0.737 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)CCC[N@H+]1C ZINC000419560739 354061216 /nfs/dbraw/zinc/06/12/16/354061216.db2.gz RODYEQDMKWAUSG-GHMZBOCLSA-N 2 1 268.361 -0.983 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[NH2+]C)C[C@@H]1C ZINC000419882420 354089182 /nfs/dbraw/zinc/08/91/82/354089182.db2.gz XPTLZMCRZIQHMY-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[NH2+]C)C[C@@H]1C ZINC000419882420 354089184 /nfs/dbraw/zinc/08/91/84/354089184.db2.gz XPTLZMCRZIQHMY-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000419889919 354089506 /nfs/dbraw/zinc/08/95/06/354089506.db2.gz LJLINIRBUYMCOA-UHFFFAOYSA-N 2 1 282.388 -0.734 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419883834 354089627 /nfs/dbraw/zinc/08/96/27/354089627.db2.gz FADSLASLKPYDKN-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419889806 354089958 /nfs/dbraw/zinc/08/99/58/354089958.db2.gz SDMBBSMPNJRBFJ-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000419895090 354090653 /nfs/dbraw/zinc/09/06/53/354090653.db2.gz ONZJIDUCKWPQGK-CHWSQXEVSA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000419895090 354090655 /nfs/dbraw/zinc/09/06/55/354090655.db2.gz ONZJIDUCKWPQGK-CHWSQXEVSA-N 2 1 296.415 -0.489 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419903785 354091642 /nfs/dbraw/zinc/09/16/42/354091642.db2.gz WXCUZGAQQNSYMT-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000419909975 354092801 /nfs/dbraw/zinc/09/28/01/354092801.db2.gz NIIYJXOMOIRHDO-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000419909975 354092803 /nfs/dbraw/zinc/09/28/03/354092803.db2.gz NIIYJXOMOIRHDO-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000419927455 354094059 /nfs/dbraw/zinc/09/40/59/354094059.db2.gz CSHWODFTCOHOHS-XQQFMLRXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)C[NH3+])C[C@@H]1C ZINC000419944735 354095390 /nfs/dbraw/zinc/09/53/90/354095390.db2.gz BKBZGFVQOAIVGH-WOPDTQHZSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)C[NH3+])C[C@@H]1C ZINC000419944735 354095393 /nfs/dbraw/zinc/09/53/93/354095393.db2.gz BKBZGFVQOAIVGH-WOPDTQHZSA-N 2 1 284.404 -0.362 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000419949435 354096133 /nfs/dbraw/zinc/09/61/33/354096133.db2.gz LGFSHFDELOCKSA-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419953555 354096600 /nfs/dbraw/zinc/09/66/00/354096600.db2.gz PVXQWFIHTXCIAN-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000419970809 354098074 /nfs/dbraw/zinc/09/80/74/354098074.db2.gz CMICMZVWODRWCP-LBPRGKRZSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC[N@@H+]1C ZINC000419963336 354098165 /nfs/dbraw/zinc/09/81/65/354098165.db2.gz VXNDHNCGWDQUPX-RYUDHWBXSA-N 2 1 284.404 -0.504 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC[N@H+]1C ZINC000419963336 354098168 /nfs/dbraw/zinc/09/81/68/354098168.db2.gz VXNDHNCGWDQUPX-RYUDHWBXSA-N 2 1 284.404 -0.504 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000419981320 354099318 /nfs/dbraw/zinc/09/93/18/354099318.db2.gz RZYNBWMXIPIIMP-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)CC[NH3+])C(C)C ZINC000419989745 354099963 /nfs/dbraw/zinc/09/99/63/354099963.db2.gz JHPABIQHIOZKPE-LLVKDONJSA-N 2 1 272.393 -0.314 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000420015837 354102172 /nfs/dbraw/zinc/10/21/72/354102172.db2.gz MHQHGVJDOMAUOG-CHWSQXEVSA-N 2 1 298.431 -0.116 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000420015837 354102174 /nfs/dbraw/zinc/10/21/74/354102174.db2.gz MHQHGVJDOMAUOG-CHWSQXEVSA-N 2 1 298.431 -0.116 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@H](C)C[NH3+])C[C@@H]1C ZINC000420017798 354102969 /nfs/dbraw/zinc/10/29/69/354102969.db2.gz WTWUXPCTURTZFX-OUAUKWLOSA-N 2 1 270.377 -0.609 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@H](C)C[NH3+])C[C@@H]1C ZINC000420017798 354102972 /nfs/dbraw/zinc/10/29/72/354102972.db2.gz WTWUXPCTURTZFX-OUAUKWLOSA-N 2 1 270.377 -0.609 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000420021107 354103343 /nfs/dbraw/zinc/10/33/43/354103343.db2.gz UALRVIBLLUNRPC-RYUDHWBXSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000420034683 354103804 /nfs/dbraw/zinc/10/38/04/354103804.db2.gz XUUOQITVLQLBSH-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420031016 354104122 /nfs/dbraw/zinc/10/41/22/354104122.db2.gz GVIOZSWGYJIYPB-CHWSQXEVSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420031016 354104125 /nfs/dbraw/zinc/10/41/25/354104125.db2.gz GVIOZSWGYJIYPB-CHWSQXEVSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C(C)C ZINC000420065386 354107241 /nfs/dbraw/zinc/10/72/41/354107241.db2.gz PQTTYEFGKVSDCO-LBPRGKRZSA-N 2 1 284.404 -0.314 20 0 CBADMP C[NH2+][C@@H]1CCCN(CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000420288404 354121705 /nfs/dbraw/zinc/12/17/05/354121705.db2.gz GZCKHWALNVUHEC-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420284749 354121883 /nfs/dbraw/zinc/12/18/83/354121883.db2.gz DKKUADWVMFJJDT-MNOVXSKESA-N 2 1 271.361 -0.275 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420284749 354121884 /nfs/dbraw/zinc/12/18/84/354121884.db2.gz DKKUADWVMFJJDT-MNOVXSKESA-N 2 1 271.361 -0.275 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420318659 354122958 /nfs/dbraw/zinc/12/29/58/354122958.db2.gz OIGQRNQZLKYFTD-QWRGUYRKSA-N 2 1 263.407 -0.015 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000420317410 354123173 /nfs/dbraw/zinc/12/31/73/354123173.db2.gz ONBUOIRLPYBTQM-LLVKDONJSA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000420317410 354123175 /nfs/dbraw/zinc/12/31/75/354123175.db2.gz ONBUOIRLPYBTQM-LLVKDONJSA-N 2 1 271.361 -0.323 20 0 CBADMP COCCN1CC[N@H+](CC[C@@H]2CC[NH2+]C2)CC1=O ZINC000420362073 354125572 /nfs/dbraw/zinc/12/55/72/354125572.db2.gz ADWLFGIIAXBNJV-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP COCCN1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1=O ZINC000420362073 354125576 /nfs/dbraw/zinc/12/55/76/354125576.db2.gz ADWLFGIIAXBNJV-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000420354600 354125766 /nfs/dbraw/zinc/12/57/66/354125766.db2.gz OWSIXGYNTTXMFZ-XQQFMLRXSA-N 2 1 268.405 -0.040 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)CC[NH3+])C1 ZINC000420375345 354126662 /nfs/dbraw/zinc/12/66/62/354126662.db2.gz IWXJIPCTICYBQR-ZDUSSCGKSA-N 2 1 286.420 -0.650 20 0 CBADMP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000420401253 354127140 /nfs/dbraw/zinc/12/71/40/354127140.db2.gz IYZZJEXGNPKTHO-CHWSQXEVSA-N 3 1 268.405 -0.275 20 0 CBADMP C[C@@H]1CC[N@H+](CCC(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC000420401253 354127145 /nfs/dbraw/zinc/12/71/45/354127145.db2.gz IYZZJEXGNPKTHO-CHWSQXEVSA-N 2 1 268.405 -0.275 20 0 CBADMP C[C@@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC000420401253 354127150 /nfs/dbraw/zinc/12/71/50/354127150.db2.gz IYZZJEXGNPKTHO-CHWSQXEVSA-N 2 1 268.405 -0.275 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C[C@H](C)[NH2+]1 ZINC000423247221 354166121 /nfs/dbraw/zinc/16/61/21/354166121.db2.gz QHXIJRDDUFIWAP-FRRDWIJNSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423247957 354167374 /nfs/dbraw/zinc/16/73/74/354167374.db2.gz QXQIBZDMTUUPIA-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000423274292 354167473 /nfs/dbraw/zinc/16/74/73/354167473.db2.gz LUDWZGQOPGYTJY-GFCCVEGCSA-N 2 1 280.372 -0.887 20 0 CBADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000423333573 354169102 /nfs/dbraw/zinc/16/91/02/354169102.db2.gz RXRBEJMBTIDBJH-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000423340286 354169368 /nfs/dbraw/zinc/16/93/68/354169368.db2.gz VWBVCUYXVFDVPD-MNOVXSKESA-N 2 1 271.361 -0.275 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000423340286 354169371 /nfs/dbraw/zinc/16/93/71/354169371.db2.gz VWBVCUYXVFDVPD-MNOVXSKESA-N 2 1 271.361 -0.275 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)C1 ZINC000423352481 354171708 /nfs/dbraw/zinc/17/17/08/354171708.db2.gz AYPYYSSLJYDKKS-OLZOCXBDSA-N 2 1 296.415 -0.395 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)C1 ZINC000423352481 354171710 /nfs/dbraw/zinc/17/17/10/354171710.db2.gz AYPYYSSLJYDKKS-OLZOCXBDSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000423363879 354172283 /nfs/dbraw/zinc/17/22/83/354172283.db2.gz CBGFGJIRJUXNMT-UPJWGTAASA-N 2 1 296.415 -0.170 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@@H]1C ZINC000423380229 354173193 /nfs/dbraw/zinc/17/31/93/354173193.db2.gz HDQQMIBLTDNZDQ-NSHDSACASA-N 2 1 255.362 -0.225 20 0 CBADMP COCC[N@H+]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@@H]1C ZINC000423380229 354173198 /nfs/dbraw/zinc/17/31/98/354173198.db2.gz HDQQMIBLTDNZDQ-NSHDSACASA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)C[C@@H]1C ZINC000423387485 354173374 /nfs/dbraw/zinc/17/33/74/354173374.db2.gz MYLMRMZCPWTCDE-RWMBFGLXSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)C[C@@H]1C ZINC000423387485 354173377 /nfs/dbraw/zinc/17/33/77/354173377.db2.gz MYLMRMZCPWTCDE-RWMBFGLXSA-N 2 1 296.415 -0.252 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420905325 354137634 /nfs/dbraw/zinc/13/76/34/354137634.db2.gz QZYZGCYGMXPNOJ-OKILXGFUSA-N 2 1 281.400 -0.003 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423432967 354176745 /nfs/dbraw/zinc/17/67/45/354176745.db2.gz BWLCMORTELBRCA-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000423439903 354176869 /nfs/dbraw/zinc/17/68/69/354176869.db2.gz WSXHOEUMXHLPDY-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000422041627 354142643 /nfs/dbraw/zinc/14/26/43/354142643.db2.gz UPDFTNUDOSLJKB-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000422041627 354142645 /nfs/dbraw/zinc/14/26/45/354142645.db2.gz UPDFTNUDOSLJKB-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000422041627 354142647 /nfs/dbraw/zinc/14/26/47/354142647.db2.gz UPDFTNUDOSLJKB-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000422041627 354142649 /nfs/dbraw/zinc/14/26/49/354142649.db2.gz UPDFTNUDOSLJKB-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP C[C@H](NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000422709501 354151145 /nfs/dbraw/zinc/15/11/45/354151145.db2.gz DRVCTDHIQRDSBT-QWHCGFSZSA-N 2 1 268.405 -0.119 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422714155 354152016 /nfs/dbraw/zinc/15/20/16/354152016.db2.gz KSJCYBFJVSZBKM-STQMWFEESA-N 3 1 268.405 -0.133 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000422733750 354152342 /nfs/dbraw/zinc/15/23/42/354152342.db2.gz RNNHECXAUSYUCF-VXGBXAGGSA-N 2 1 255.362 -0.036 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000422733750 354152345 /nfs/dbraw/zinc/15/23/45/354152345.db2.gz RNNHECXAUSYUCF-VXGBXAGGSA-N 2 1 255.362 -0.036 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422971379 354158815 /nfs/dbraw/zinc/15/88/15/354158815.db2.gz IOAYHBUHGHRFJQ-NEPJUHHUSA-N 2 1 284.404 -0.362 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000422977057 354159353 /nfs/dbraw/zinc/15/93/53/354159353.db2.gz WBCOCFUORWVVNV-VXGBXAGGSA-N 2 1 282.388 -0.608 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423123414 354162780 /nfs/dbraw/zinc/16/27/80/354162780.db2.gz MPZXVGILFGMORS-GFCCVEGCSA-N 2 1 282.388 -0.782 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423624953 354185896 /nfs/dbraw/zinc/18/58/96/354185896.db2.gz QKMKVVSKKMEWLM-ZDUSSCGKSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000423625000 354185973 /nfs/dbraw/zinc/18/59/73/354185973.db2.gz CIWNPKANEDCIMF-NDBYEHHHSA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000423625000 354185974 /nfs/dbraw/zinc/18/59/74/354185974.db2.gz CIWNPKANEDCIMF-NDBYEHHHSA-N 2 1 296.415 -0.267 20 0 CBADMP COC[C@]1(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CCC[NH2+]1 ZINC000423631037 354186912 /nfs/dbraw/zinc/18/69/12/354186912.db2.gz FXRDPANTZKEEAY-UKRRQHHQSA-N 2 1 299.415 -0.020 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423629408 354187015 /nfs/dbraw/zinc/18/70/15/354187015.db2.gz KOGONZXGKSJTOH-NSHDSACASA-N 2 1 268.361 -0.901 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000423635115 354187643 /nfs/dbraw/zinc/18/76/43/354187643.db2.gz RHEUWFFEFVVBOR-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000423635112 354187653 /nfs/dbraw/zinc/18/76/53/354187653.db2.gz RHEUWFFEFVVBOR-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC[NH2+]1 ZINC000423673661 354191353 /nfs/dbraw/zinc/19/13/53/354191353.db2.gz GERLXOCMQBMGNP-SWLSCSKDSA-N 2 1 294.399 -0.639 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423718712 354193866 /nfs/dbraw/zinc/19/38/66/354193866.db2.gz DIDWLVTWTZSOTR-GFCCVEGCSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423729361 354195013 /nfs/dbraw/zinc/19/50/13/354195013.db2.gz WWHSIZPFQZGKOT-NSHDSACASA-N 2 1 270.377 -0.655 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000423748353 354197604 /nfs/dbraw/zinc/19/76/04/354197604.db2.gz UHFKHTOXRRENTE-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000423795418 354200343 /nfs/dbraw/zinc/20/03/43/354200343.db2.gz KNMQJHMQZTXIOK-CYBMUJFWSA-N 2 1 299.415 -0.208 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000423787241 354200433 /nfs/dbraw/zinc/20/04/33/354200433.db2.gz BXXZNBNHXBSGPV-LBPRGKRZSA-N 2 1 287.404 -0.223 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000423861932 354202318 /nfs/dbraw/zinc/20/23/18/354202318.db2.gz RCAXYNQYJOVJLY-NWDGAFQWSA-N 2 1 285.388 -0.062 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000423861932 354202322 /nfs/dbraw/zinc/20/23/22/354202322.db2.gz RCAXYNQYJOVJLY-NWDGAFQWSA-N 2 1 285.388 -0.062 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424129053 354209913 /nfs/dbraw/zinc/20/99/13/354209913.db2.gz FYWYXBUUNXUXMH-NEPJUHHUSA-N 2 1 292.387 -0.116 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000424169478 354214480 /nfs/dbraw/zinc/21/44/80/354214480.db2.gz JOKJWSAZBWUDSZ-KKOKHZNYSA-N 2 1 255.362 -0.003 20 0 CBADMP O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1COCC[NH2+]1 ZINC000424188459 354216755 /nfs/dbraw/zinc/21/67/55/354216755.db2.gz LJDIEOFUKCITIH-ZDUSSCGKSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H]1C[NH2+]CCN1C ZINC000423500852 354178539 /nfs/dbraw/zinc/17/85/39/354178539.db2.gz DBCVWDJQUYZWJU-KWCYVHTRSA-N 2 1 252.406 -0.038 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000430896938 354250560 /nfs/dbraw/zinc/25/05/60/354250560.db2.gz JLMOHWMCGIYOSV-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP C[NH2+]C[C@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000430968124 354251440 /nfs/dbraw/zinc/25/14/40/354251440.db2.gz XBIXKAHXSSFKIU-LLVKDONJSA-N 2 1 263.407 -0.191 20 0 CBADMP C[NH2+]C[C@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000430968124 354251443 /nfs/dbraw/zinc/25/14/43/354251443.db2.gz XBIXKAHXSSFKIU-LLVKDONJSA-N 2 1 263.407 -0.191 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435624979 354255352 /nfs/dbraw/zinc/25/53/52/354255352.db2.gz ZBVQZZPKZFWRCQ-NSHDSACASA-N 2 1 263.407 0.000 20 0 CBADMP C[C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)[N@@H+]1CCCC[C@H]1C ZINC000438884243 354256578 /nfs/dbraw/zinc/25/65/78/354256578.db2.gz RHMPKDJMXUJTBW-OUAUKWLOSA-N 2 1 270.377 -0.432 20 0 CBADMP C[C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)[N@H+]1CCCC[C@H]1C ZINC000438884243 354256581 /nfs/dbraw/zinc/25/65/81/354256581.db2.gz RHMPKDJMXUJTBW-OUAUKWLOSA-N 2 1 270.377 -0.432 20 0 CBADMP C[C@@H](CC(N)=O)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442888620 354259271 /nfs/dbraw/zinc/25/92/71/354259271.db2.gz GTJNMHQFJQRIBS-NSHDSACASA-N 2 1 256.394 -0.134 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1coc(C[NH3+])c1 ZINC000444177844 354263110 /nfs/dbraw/zinc/26/31/10/354263110.db2.gz UGPFLDFCMOFVLA-GFCCVEGCSA-N 2 1 294.355 -0.192 20 0 CBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446365389 354286690 /nfs/dbraw/zinc/28/66/90/354286690.db2.gz XLJHJMHLUVYHLZ-GRYCIOLGSA-N 2 1 273.352 -0.087 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444269047 354267471 /nfs/dbraw/zinc/26/74/71/354267471.db2.gz OXMZVCIHAWMQCY-UKRRQHHQSA-N 2 1 280.416 -0.260 20 0 CBADMP CCC[NH2+][C@@H](C)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000449152669 354318233 /nfs/dbraw/zinc/31/82/33/354318233.db2.gz ACSUTGLZGAUTJH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000449398025 354319505 /nfs/dbraw/zinc/31/95/05/354319505.db2.gz SMCPHUPHSKYWMX-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000449398023 354319873 /nfs/dbraw/zinc/31/98/73/354319873.db2.gz SMCPHUPHSKYWMX-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C2([NH3+])CCC2)C[C@@H]1C ZINC000449349559 354320176 /nfs/dbraw/zinc/32/01/76/354320176.db2.gz QUDUABGPTUHNCF-QWRGUYRKSA-N 2 1 255.362 -0.219 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C2([NH3+])CCC2)C[C@@H]1C ZINC000449349559 354320179 /nfs/dbraw/zinc/32/01/79/354320179.db2.gz QUDUABGPTUHNCF-QWRGUYRKSA-N 2 1 255.362 -0.219 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000452366027 354349536 /nfs/dbraw/zinc/34/95/36/354349536.db2.gz OGICGYCBVJNGPI-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000452366027 354349539 /nfs/dbraw/zinc/34/95/39/354349539.db2.gz OGICGYCBVJNGPI-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000452366027 354349541 /nfs/dbraw/zinc/34/95/41/354349541.db2.gz OGICGYCBVJNGPI-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC000452366027 354349545 /nfs/dbraw/zinc/34/95/45/354349545.db2.gz OGICGYCBVJNGPI-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000452366024 354349587 /nfs/dbraw/zinc/34/95/87/354349587.db2.gz OGICGYCBVJNGPI-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000452366024 354349589 /nfs/dbraw/zinc/34/95/89/354349589.db2.gz OGICGYCBVJNGPI-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000452366024 354349592 /nfs/dbraw/zinc/34/95/92/354349592.db2.gz OGICGYCBVJNGPI-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000452366024 354349595 /nfs/dbraw/zinc/34/95/95/354349595.db2.gz OGICGYCBVJNGPI-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000452382881 354349916 /nfs/dbraw/zinc/34/99/16/354349916.db2.gz NKZRQSSHPFAAJG-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000452382881 354349920 /nfs/dbraw/zinc/34/99/20/354349920.db2.gz NKZRQSSHPFAAJG-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000452382881 354349923 /nfs/dbraw/zinc/34/99/23/354349923.db2.gz NKZRQSSHPFAAJG-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000452382881 354349926 /nfs/dbraw/zinc/34/99/26/354349926.db2.gz NKZRQSSHPFAAJG-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)C[NH3+])C[C@@H]1C ZINC000423900959 291026736 /nfs/dbraw/zinc/02/67/36/291026736.db2.gz SKJFPDQBAYDEAG-QWRGUYRKSA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)C[NH3+])C[C@@H]1C ZINC000423900959 291026737 /nfs/dbraw/zinc/02/67/37/291026737.db2.gz SKJFPDQBAYDEAG-QWRGUYRKSA-N 2 1 271.361 -0.323 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000458750937 354379550 /nfs/dbraw/zinc/37/95/50/354379550.db2.gz GCNBPBUSDCKYIU-NWDGAFQWSA-N 2 1 272.393 -0.356 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000458750937 354379552 /nfs/dbraw/zinc/37/95/52/354379552.db2.gz GCNBPBUSDCKYIU-NWDGAFQWSA-N 2 1 272.393 -0.356 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000458750942 354379593 /nfs/dbraw/zinc/37/95/93/354379593.db2.gz GCNBPBUSDCKYIU-RYUDHWBXSA-N 2 1 272.393 -0.356 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000458750942 354379595 /nfs/dbraw/zinc/37/95/95/354379595.db2.gz GCNBPBUSDCKYIU-RYUDHWBXSA-N 2 1 272.393 -0.356 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000460084601 354397937 /nfs/dbraw/zinc/39/79/37/354397937.db2.gz VKOBDVFZHWMQHC-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP C[NH+](C)CCOCCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000471633558 354400561 /nfs/dbraw/zinc/40/05/61/354400561.db2.gz BROAIZSJPVQMAI-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000487130845 354411843 /nfs/dbraw/zinc/41/18/43/354411843.db2.gz PXEVKZQZKULQJG-AWEZNQCLSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000487190242 354412948 /nfs/dbraw/zinc/41/29/48/354412948.db2.gz QXDUTYVQOIOGOG-RYUDHWBXSA-N 2 1 257.378 -0.386 20 0 CBADMP CC[NH+](CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000487190242 354412949 /nfs/dbraw/zinc/41/29/49/354412949.db2.gz QXDUTYVQOIOGOG-RYUDHWBXSA-N 2 1 257.378 -0.386 20 0 CBADMP CC[NH+](CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000487190242 354412950 /nfs/dbraw/zinc/41/29/50/354412950.db2.gz QXDUTYVQOIOGOG-RYUDHWBXSA-N 2 1 257.378 -0.386 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000487190244 354412968 /nfs/dbraw/zinc/41/29/68/354412968.db2.gz QXDUTYVQOIOGOG-VXGBXAGGSA-N 2 1 257.378 -0.386 20 0 CBADMP CC[NH+](CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487190244 354412969 /nfs/dbraw/zinc/41/29/69/354412969.db2.gz QXDUTYVQOIOGOG-VXGBXAGGSA-N 2 1 257.378 -0.386 20 0 CBADMP CC[NH+](CCO)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000487190244 354412970 /nfs/dbraw/zinc/41/29/70/354412970.db2.gz QXDUTYVQOIOGOG-VXGBXAGGSA-N 2 1 257.378 -0.386 20 0 CBADMP C[C@@H]1[C@H](CO)CC[NH+]1C[C@@H](O)C[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488743432 354426863 /nfs/dbraw/zinc/42/68/63/354426863.db2.gz IGNLASADOKKTGM-AICCOOGYSA-N 2 1 286.416 -0.247 20 0 CBADMP C[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H](O)C[NH+]1CC[C@@H](CO)[C@@H]1C ZINC000488743432 354426868 /nfs/dbraw/zinc/42/68/68/354426868.db2.gz IGNLASADOKKTGM-AICCOOGYSA-N 2 1 286.416 -0.247 20 0 CBADMP C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](O)C[NH+]1CC[C@@H](CO)[C@@H]1C ZINC000488743432 354426873 /nfs/dbraw/zinc/42/68/73/354426873.db2.gz IGNLASADOKKTGM-AICCOOGYSA-N 2 1 286.416 -0.247 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000491904848 354462788 /nfs/dbraw/zinc/46/27/88/354462788.db2.gz LAMZGWBBHOAXLP-QMAVJUDZSA-N 2 1 255.362 -0.059 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)OC ZINC000496284884 354540089 /nfs/dbraw/zinc/54/00/89/354540089.db2.gz QIPLDZSIXLYSIP-JTQLQIEISA-N 2 1 271.365 -0.059 20 0 CBADMP C[C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])CN1CC[NH+](C)CC1 ZINC000493945105 354494775 /nfs/dbraw/zinc/49/47/75/354494775.db2.gz NQIKPRPWUPNDNR-JHJVBQTASA-N 2 1 270.421 -0.031 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000519531913 354561568 /nfs/dbraw/zinc/56/15/68/354561568.db2.gz JYBAZBKCWZMVNT-YPMHNXCESA-N 2 1 296.415 -0.299 20 0 CBADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000529303626 354583670 /nfs/dbraw/zinc/58/36/70/354583670.db2.gz ABLLDCWSJKSOIM-WDEREUQCSA-N 2 1 268.361 -0.489 20 0 CBADMP O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000529303621 354583735 /nfs/dbraw/zinc/58/37/35/354583735.db2.gz ABLLDCWSJKSOIM-QWRGUYRKSA-N 2 1 268.361 -0.489 20 0 CBADMP C[N@@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000546570971 354652142 /nfs/dbraw/zinc/65/21/42/354652142.db2.gz DZNSFEMRSYKVBD-HNNXBMFYSA-N 2 1 292.383 -0.055 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000546570971 354652143 /nfs/dbraw/zinc/65/21/43/354652143.db2.gz DZNSFEMRSYKVBD-HNNXBMFYSA-N 2 1 292.383 -0.055 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)C[N@H+]1C1CC1 ZINC000547298840 354657789 /nfs/dbraw/zinc/65/77/89/354657789.db2.gz UIQAAZQWMFXYEH-TYNCELHUSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)C[NH+]1C1CC1 ZINC000547298840 354657790 /nfs/dbraw/zinc/65/77/90/354657790.db2.gz UIQAAZQWMFXYEH-TYNCELHUSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C[NH+]1C1CC1 ZINC000547298840 354657792 /nfs/dbraw/zinc/65/77/92/354657792.db2.gz UIQAAZQWMFXYEH-TYNCELHUSA-N 2 1 296.415 -0.023 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000537567798 354610240 /nfs/dbraw/zinc/61/02/40/354610240.db2.gz YPAAMQCFTRONAG-ILXRZTDVSA-N 2 1 285.432 -0.049 20 0 CBADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CC1)C(=O)NCC[NH+](C)C ZINC000556901334 354683551 /nfs/dbraw/zinc/68/35/51/354683551.db2.gz MMNRTAUUZIGFHU-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+](CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+])C1CC1 ZINC000557144676 354685240 /nfs/dbraw/zinc/68/52/40/354685240.db2.gz MXUNGPASBOHCEM-ZDUSSCGKSA-N 2 1 283.420 -0.245 20 0 CBADMP CNC(=O)CN1CCC([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000562986756 354690736 /nfs/dbraw/zinc/69/07/36/354690736.db2.gz BUYRTOWVGJUQGY-AWEZNQCLSA-N 2 1 298.431 -0.759 20 0 CBADMP CNC(=O)CN1CCC([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000562986756 354690738 /nfs/dbraw/zinc/69/07/38/354690738.db2.gz BUYRTOWVGJUQGY-AWEZNQCLSA-N 2 1 298.431 -0.759 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCc2nnnn2CC1)C1CC1 ZINC000563008129 354691342 /nfs/dbraw/zinc/69/13/42/354691342.db2.gz SCEOIKWQAJPKLS-CMPLNLGQSA-N 2 1 280.376 -0.577 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCc2nnnn2CC1)C1CC1 ZINC000563008129 354691347 /nfs/dbraw/zinc/69/13/47/354691347.db2.gz SCEOIKWQAJPKLS-CMPLNLGQSA-N 2 1 280.376 -0.577 20 0 CBADMP CC1(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[NH2+]C1 ZINC000563048672 354693635 /nfs/dbraw/zinc/69/36/35/354693635.db2.gz XLKOAZGWYBPJGG-NSHDSACASA-N 2 1 282.388 -0.701 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)CN1CC[NH+](C)CC1 ZINC000563077513 354694552 /nfs/dbraw/zinc/69/45/52/354694552.db2.gz IFCOPMKZNINIDW-HZSPNIEDSA-N 2 1 282.432 -0.016 20 0 CBADMP C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000563150805 354700201 /nfs/dbraw/zinc/70/02/01/354700201.db2.gz RGILZGJEQBFYSV-AWEZNQCLSA-N 3 1 252.406 -0.033 20 0 CBADMP C(CN1CC[NH2+]CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563150805 354700203 /nfs/dbraw/zinc/70/02/03/354700203.db2.gz RGILZGJEQBFYSV-AWEZNQCLSA-N 2 1 252.406 -0.033 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)CC2 ZINC000563248457 354704613 /nfs/dbraw/zinc/70/46/13/354704613.db2.gz BXYJEZIVNITMEV-WFASDCNBSA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)CC2 ZINC000563248457 354704615 /nfs/dbraw/zinc/70/46/15/354704615.db2.gz BXYJEZIVNITMEV-WFASDCNBSA-N 2 1 292.383 -0.063 20 0 CBADMP [NH3+]CCCCn1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)nn1 ZINC000563806741 354705167 /nfs/dbraw/zinc/70/51/67/354705167.db2.gz CJLNHUHQNSHBOY-NSHDSACASA-N 2 1 292.387 -0.017 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H](C)[N@H+]1CCO ZINC000563866513 354706956 /nfs/dbraw/zinc/70/69/56/354706956.db2.gz JDMQROQZUZJEBD-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H](C)[N@@H+]1CCO ZINC000563866513 354706959 /nfs/dbraw/zinc/70/69/59/354706959.db2.gz JDMQROQZUZJEBD-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H](C)[NH+]1CCO ZINC000563866513 354706963 /nfs/dbraw/zinc/70/69/63/354706963.db2.gz JDMQROQZUZJEBD-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H](C)[NH+]1CCO ZINC000563866513 354706965 /nfs/dbraw/zinc/70/69/65/354706965.db2.gz JDMQROQZUZJEBD-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000563899629 354708232 /nfs/dbraw/zinc/70/82/32/354708232.db2.gz FAGXPKQZIOXZJA-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000564456795 354712782 /nfs/dbraw/zinc/71/27/82/354712782.db2.gz ORYCOFVIUXDVGQ-VXGBXAGGSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@]1(F)CNCC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000564453413 354712886 /nfs/dbraw/zinc/71/28/86/354712886.db2.gz NFOTXZIWXKNCOP-JSGCOSHPSA-N 2 1 286.395 -0.183 20 0 CBADMP C[C@]1(F)CNCC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000564453413 354712888 /nfs/dbraw/zinc/71/28/88/354712888.db2.gz NFOTXZIWXKNCOP-JSGCOSHPSA-N 2 1 286.395 -0.183 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000564798907 354717394 /nfs/dbraw/zinc/71/73/94/354717394.db2.gz AANAKAMOGZWTLE-UWVGGRQHSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@]1(C[NH3+])CC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000564986295 354723450 /nfs/dbraw/zinc/72/34/50/354723450.db2.gz LSLFEWXRXDUHFA-CYBMUJFWSA-N 2 1 254.378 -0.521 20 0 CBADMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000564986295 354723453 /nfs/dbraw/zinc/72/34/53/354723453.db2.gz LSLFEWXRXDUHFA-CYBMUJFWSA-N 2 1 254.378 -0.521 20 0 CBADMP C[C@@]1(C[NH3+])CC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000564986296 354723706 /nfs/dbraw/zinc/72/37/06/354723706.db2.gz LSLFEWXRXDUHFA-ZDUSSCGKSA-N 2 1 254.378 -0.521 20 0 CBADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000564986296 354723709 /nfs/dbraw/zinc/72/37/09/354723709.db2.gz LSLFEWXRXDUHFA-ZDUSSCGKSA-N 2 1 254.378 -0.521 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CCc1cnccn1 ZINC000564988372 354724400 /nfs/dbraw/zinc/72/44/00/354724400.db2.gz CIZZAHHXTIKZIT-UHFFFAOYSA-N 2 1 277.372 -0.227 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C2CC2)C1 ZINC000565038995 354726424 /nfs/dbraw/zinc/72/64/24/354726424.db2.gz YDELJXMKFAIGFD-LBPRGKRZSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C2CC2)C1 ZINC000565038995 354726425 /nfs/dbraw/zinc/72/64/25/354726425.db2.gz YDELJXMKFAIGFD-LBPRGKRZSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)C1CCOCC1 ZINC000565154925 354728881 /nfs/dbraw/zinc/72/88/81/354728881.db2.gz CVRIETZLRHMXEA-KBPBESRZSA-N 2 1 290.404 -0.697 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)C1CCOCC1 ZINC000565154925 354728882 /nfs/dbraw/zinc/72/88/82/354728882.db2.gz CVRIETZLRHMXEA-KBPBESRZSA-N 2 1 290.404 -0.697 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](CO)[C@H]1CCOC1)C1CC1 ZINC000565833476 354746512 /nfs/dbraw/zinc/74/65/12/354746512.db2.gz FRYNCFLUJQKTSJ-SGMGOOAPSA-N 2 1 272.389 -0.324 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](CO)[C@H]1CCOC1)C1CC1 ZINC000565833476 354746515 /nfs/dbraw/zinc/74/65/15/354746515.db2.gz FRYNCFLUJQKTSJ-SGMGOOAPSA-N 2 1 272.389 -0.324 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)C1CC[NH2+]CC1 ZINC000566196567 354756929 /nfs/dbraw/zinc/75/69/29/354756929.db2.gz NLGUGALQORUHMS-UHFFFAOYSA-N 2 1 255.362 -0.176 20 0 CBADMP CNC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000566417919 354764904 /nfs/dbraw/zinc/76/49/04/354764904.db2.gz WAQYRWZGABHTLF-JSGCOSHPSA-N 2 1 287.404 -0.617 20 0 CBADMP CNC(=O)[C@@]1(C)CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000566417919 354764906 /nfs/dbraw/zinc/76/49/06/354764906.db2.gz WAQYRWZGABHTLF-JSGCOSHPSA-N 2 1 287.404 -0.617 20 0 CBADMP CNC(=O)[C@@]1(C)CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000566417919 354764910 /nfs/dbraw/zinc/76/49/10/354764910.db2.gz WAQYRWZGABHTLF-JSGCOSHPSA-N 2 1 287.404 -0.617 20 0 CBADMP CNC(=O)[C@@]1(C)CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000566417919 354764913 /nfs/dbraw/zinc/76/49/13/354764913.db2.gz WAQYRWZGABHTLF-JSGCOSHPSA-N 2 1 287.404 -0.617 20 0 CBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccco1 ZINC000566507608 354769747 /nfs/dbraw/zinc/76/97/47/354769747.db2.gz JCLJJTKCCZHLLN-QWRGUYRKSA-N 2 1 294.355 -0.523 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000566513036 354770954 /nfs/dbraw/zinc/77/09/54/354770954.db2.gz RUUCOIJOHTVNJN-RYUDHWBXSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[NH+](C)CC1 ZINC000566562352 354771107 /nfs/dbraw/zinc/77/11/07/354771107.db2.gz JSYTXPZNNPLUEB-MELADBBJSA-N 2 1 280.416 -0.025 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000566680223 354772698 /nfs/dbraw/zinc/77/26/98/354772698.db2.gz BAIZTFZSJSXPRM-CYBMUJFWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CCCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000566679364 354772976 /nfs/dbraw/zinc/77/29/76/354772976.db2.gz UTQHKVBWADCTLN-LBPRGKRZSA-N 2 1 292.387 -0.192 20 0 CBADMP C[N@H+]1CCCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000566679362 354772983 /nfs/dbraw/zinc/77/29/83/354772983.db2.gz UTQHKVBWADCTLN-GFCCVEGCSA-N 2 1 292.387 -0.192 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000566918455 354777187 /nfs/dbraw/zinc/77/71/87/354777187.db2.gz WACMEYFRCCYIRF-YPMHNXCESA-N 2 1 255.362 -0.177 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[NH2+]C1CC1 ZINC000567231602 354783323 /nfs/dbraw/zinc/78/33/23/354783323.db2.gz HOILWAVZRJROED-NSHDSACASA-N 2 1 268.361 -0.806 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000565254982 354734769 /nfs/dbraw/zinc/73/47/69/354734769.db2.gz RMBYZJKCFIVKNP-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N(C)CCC[NH3+] ZINC000565254668 354734777 /nfs/dbraw/zinc/73/47/77/354734777.db2.gz OITJWOWJSSYWDR-UHFFFAOYSA-N 2 1 260.382 -0.055 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000565301057 354735351 /nfs/dbraw/zinc/73/53/51/354735351.db2.gz KKCJLCFUFQPCPF-NSHDSACASA-N 2 1 296.415 -0.204 20 0 CBADMP CCN(C)C[C@H](O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000565429712 354738129 /nfs/dbraw/zinc/73/81/29/354738129.db2.gz HKTFLJFSKHWXJC-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP CCN(C)C[C@H](O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000565429712 354738132 /nfs/dbraw/zinc/73/81/32/354738132.db2.gz HKTFLJFSKHWXJC-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC000565429712 354738135 /nfs/dbraw/zinc/73/81/35/354738135.db2.gz HKTFLJFSKHWXJC-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC000565429712 354738138 /nfs/dbraw/zinc/73/81/38/354738138.db2.gz HKTFLJFSKHWXJC-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000565429712 354738140 /nfs/dbraw/zinc/73/81/40/354738140.db2.gz HKTFLJFSKHWXJC-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000565429712 354738143 /nfs/dbraw/zinc/73/81/43/354738143.db2.gz HKTFLJFSKHWXJC-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)COC1C[NH2+]C1 ZINC000567811714 354797930 /nfs/dbraw/zinc/79/79/30/354797930.db2.gz BFJNDFKLWXMOJZ-CMPLNLGQSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@H](C[NH3+])C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000567846476 354800987 /nfs/dbraw/zinc/80/09/87/354800987.db2.gz CVSIBTSOVNZDHU-PNESKVBLSA-N 2 1 268.405 -0.086 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC[C@@H]3CCCO3)CCN2C1=O ZINC000568782809 354833102 /nfs/dbraw/zinc/83/31/02/354833102.db2.gz FFUMFAWWNLWTIM-SDDRHHMPSA-N 2 1 253.346 -0.201 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000567876062 354802735 /nfs/dbraw/zinc/80/27/35/354802735.db2.gz OBSWRRIVRVIMEI-QWHCGFSZSA-N 2 1 268.357 -0.095 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000567889425 354803725 /nfs/dbraw/zinc/80/37/25/354803725.db2.gz WXXZVPUEZKIVAN-PHIMTYICSA-N 2 1 261.391 -0.533 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000567889425 354803726 /nfs/dbraw/zinc/80/37/26/354803726.db2.gz WXXZVPUEZKIVAN-PHIMTYICSA-N 2 1 261.391 -0.533 20 0 CBADMP CC[C@H](CO)[NH+]1CCN(C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000568165675 354812221 /nfs/dbraw/zinc/81/22/21/354812221.db2.gz UHUNZDKEUAUYRM-KGLIPLIRSA-N 2 1 273.421 -0.313 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000568181146 354814652 /nfs/dbraw/zinc/81/46/52/354814652.db2.gz LXBCISCMXYWZGI-MCIONIFRSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000568181146 354814655 /nfs/dbraw/zinc/81/46/55/354814655.db2.gz LXBCISCMXYWZGI-MCIONIFRSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000568181146 354814656 /nfs/dbraw/zinc/81/46/56/354814656.db2.gz LXBCISCMXYWZGI-MCIONIFRSA-N 2 1 273.421 -0.314 20 0 CBADMP Cc1ccccc1[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000568265780 354819107 /nfs/dbraw/zinc/81/91/07/354819107.db2.gz NQRROIVXGLFMIO-AWEZNQCLSA-N 2 1 290.367 -0.457 20 0 CBADMP C[C@@H]1[C@H](C)[NH2+]CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000568271042 354820161 /nfs/dbraw/zinc/82/01/61/354820161.db2.gz TWERVASSCXGKBS-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000568389415 354822034 /nfs/dbraw/zinc/82/20/34/354822034.db2.gz IMSNPQPVWFWHBB-CMPLNLGQSA-N 2 1 255.362 -0.036 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000568381535 354822469 /nfs/dbraw/zinc/82/24/69/354822469.db2.gz TXBYWVHJCGCHBY-NEPJUHHUSA-N 2 1 277.372 -0.107 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000568750017 354830497 /nfs/dbraw/zinc/83/04/97/354830497.db2.gz RNHXUNLXXQPTME-MCIONIFRSA-N 3 1 280.416 -0.275 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1CC[NH2+]1 ZINC000568746144 354830509 /nfs/dbraw/zinc/83/05/09/354830509.db2.gz NBUVLYVBCZLSDD-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567772274 354796450 /nfs/dbraw/zinc/79/64/50/354796450.db2.gz NAFAXKFRDHRYJK-RYUDHWBXSA-N 2 1 292.387 -0.146 20 0 CBADMP C[NH2+][C@@H](C(=O)NCCNc1cc[nH+]cc1)c1cnn(C)c1 ZINC000567786813 354797261 /nfs/dbraw/zinc/79/72/61/354797261.db2.gz JGGAXPILGBFQEX-CYBMUJFWSA-N 2 1 288.355 -0.274 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)NCCCN1CC[NH2+]CC1 ZINC000569133842 354838951 /nfs/dbraw/zinc/83/89/51/354838951.db2.gz QHWBIUFCLOWETG-UHFFFAOYSA-N 2 1 264.320 -0.618 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000571778521 354879802 /nfs/dbraw/zinc/87/98/02/354879802.db2.gz MKWXPCDPBYTUOH-JQWIXIFHSA-N 2 1 282.388 -0.608 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@]2(COC)CC[NH2+]C2)C1 ZINC000569218299 354840189 /nfs/dbraw/zinc/84/01/89/354840189.db2.gz YSMZFDXCTUMHEE-JSGCOSHPSA-N 2 1 285.388 -0.551 20 0 CBADMP CCOC[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000569960523 354850884 /nfs/dbraw/zinc/85/08/84/354850884.db2.gz KQPQTRHSJJFPGF-STQMWFEESA-N 2 1 287.404 -0.439 20 0 CBADMP CN(C)C(=O)CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000569972789 354851351 /nfs/dbraw/zinc/85/13/51/354851351.db2.gz VYBFEOISCAETEY-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000569969937 354851392 /nfs/dbraw/zinc/85/13/92/354851392.db2.gz NZXMAEYTCUYBSG-WCQYABFASA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H](C(=O)N1CC[NH2+][C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000570046304 354852422 /nfs/dbraw/zinc/85/24/22/354852422.db2.gz NXUHDNRMIKZZGZ-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@H](C(=O)NCCC[NH2+]C1CC1)N1CC[NH+](C)CC1 ZINC000570399995 354861187 /nfs/dbraw/zinc/86/11/87/354861187.db2.gz XYHGVVSAJNGKTJ-GFCCVEGCSA-N 2 1 268.405 -0.119 20 0 CBADMP Cc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000570437791 354862204 /nfs/dbraw/zinc/86/22/04/354862204.db2.gz CASAUAQIHQCGSW-WCQYABFASA-N 2 1 279.388 -0.054 20 0 CBADMP Cc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000570437791 354862205 /nfs/dbraw/zinc/86/22/05/354862205.db2.gz CASAUAQIHQCGSW-WCQYABFASA-N 2 1 279.388 -0.054 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000570461776 354862917 /nfs/dbraw/zinc/86/29/17/354862917.db2.gz UUGAXUANRCKYEM-QWHCGFSZSA-N 2 1 299.415 -0.284 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000570461776 354862920 /nfs/dbraw/zinc/86/29/20/354862920.db2.gz UUGAXUANRCKYEM-QWHCGFSZSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000572501809 354893569 /nfs/dbraw/zinc/89/35/69/354893569.db2.gz VCRULVLIINLLKD-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NCC[N@H+]1CCCOCC1 ZINC000572958984 354900654 /nfs/dbraw/zinc/90/06/54/354900654.db2.gz VXEDVBPVZIFHNA-NSHDSACASA-N 2 1 259.350 -0.811 20 0 CBADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000573091112 354904887 /nfs/dbraw/zinc/90/48/87/354904887.db2.gz VSVNLTJWHZVMDK-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000573241966 354907590 /nfs/dbraw/zinc/90/75/90/354907590.db2.gz WJBHHSXGTKWGGD-VXGBXAGGSA-N 2 1 296.415 -0.170 20 0 CBADMP CN1CC[C@H]([N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)C1=O ZINC000571802533 354881184 /nfs/dbraw/zinc/88/11/84/354881184.db2.gz WFBBNXPDXHCVHA-NEPJUHHUSA-N 2 1 280.372 -0.887 20 0 CBADMP CN1CC[C@H]([N@H+]2CCC[C@@H](N3CCNCC3=O)C2)C1=O ZINC000571802533 354881188 /nfs/dbraw/zinc/88/11/88/354881188.db2.gz WFBBNXPDXHCVHA-NEPJUHHUSA-N 2 1 280.372 -0.887 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000571882588 354882163 /nfs/dbraw/zinc/88/21/63/354882163.db2.gz LMOLADRPHLGOBV-NWDGAFQWSA-N 2 1 255.362 -0.048 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000573743667 354921007 /nfs/dbraw/zinc/92/10/07/354921007.db2.gz XJQWQXRIPOZEAQ-WDEREUQCSA-N 2 1 256.350 -0.632 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCc3cccnc3)CCN2C1=O ZINC000573863609 354924336 /nfs/dbraw/zinc/92/43/36/354924336.db2.gz UYHPDDFDKZSTCI-STQMWFEESA-N 2 1 260.341 -0.132 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCc3cccnc3)CCN2C1=O ZINC000573863609 354924338 /nfs/dbraw/zinc/92/43/38/354924338.db2.gz UYHPDDFDKZSTCI-STQMWFEESA-N 2 1 260.341 -0.132 20 0 CBADMP CSCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000578190844 354941080 /nfs/dbraw/zinc/94/10/80/354941080.db2.gz CLZAFCSPYGVDND-NSHDSACASA-N 2 1 275.418 -0.095 20 0 CBADMP CSCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000578190844 354941082 /nfs/dbraw/zinc/94/10/82/354941082.db2.gz CLZAFCSPYGVDND-NSHDSACASA-N 2 1 275.418 -0.095 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000578196518 354941120 /nfs/dbraw/zinc/94/11/20/354941120.db2.gz LEKIKHVWVDDFIV-CQSZACIVSA-N 2 1 297.447 -0.966 20 0 CBADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)C1=CC[N@@H+](C)CC1 ZINC000578670476 354953040 /nfs/dbraw/zinc/95/30/40/354953040.db2.gz ARZVQZJFTMOBER-PWSUYJOCSA-N 2 1 280.372 -0.769 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000578895493 354958423 /nfs/dbraw/zinc/95/84/23/354958423.db2.gz UBURYKFXWLGHDY-CQSZACIVSA-N 2 1 298.431 -0.491 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)[C@@H]2C1 ZINC000579105935 354962047 /nfs/dbraw/zinc/96/20/47/354962047.db2.gz KEBFAMPCMXKVPV-JHJVBQTASA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579122740 354963338 /nfs/dbraw/zinc/96/33/38/354963338.db2.gz KTXVMFDBACACNZ-OLZOCXBDSA-N 2 1 268.405 -0.180 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000579122740 354963339 /nfs/dbraw/zinc/96/33/39/354963339.db2.gz KTXVMFDBACACNZ-OLZOCXBDSA-N 3 1 268.405 -0.180 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000579122740 354963341 /nfs/dbraw/zinc/96/33/41/354963341.db2.gz KTXVMFDBACACNZ-OLZOCXBDSA-N 3 1 268.405 -0.180 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](C[C@@H]3CCSC3)CCN2C1=O ZINC000579259611 354967487 /nfs/dbraw/zinc/96/74/87/354967487.db2.gz XWULAFZTZYYHPO-GARJFASQSA-N 2 1 255.387 -0.017 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000579371768 354969340 /nfs/dbraw/zinc/96/93/40/354969340.db2.gz XFDWSFJIRJTYGJ-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000579474794 354971380 /nfs/dbraw/zinc/97/13/80/354971380.db2.gz OCUFXJGLPCQNLE-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000579588115 354973402 /nfs/dbraw/zinc/97/34/02/354973402.db2.gz XUQPTAZNOFXOQX-ZJUUUORDSA-N 2 1 257.334 -0.523 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000579588115 354973405 /nfs/dbraw/zinc/97/34/05/354973405.db2.gz XUQPTAZNOFXOQX-ZJUUUORDSA-N 2 1 257.334 -0.523 20 0 CBADMP CC(CCN1CCNC(=O)C1)CC[N@H+]1CCNC(=O)C1 ZINC000580166151 354989126 /nfs/dbraw/zinc/98/91/26/354989126.db2.gz SCOQNDYOACWXPX-UHFFFAOYSA-N 2 1 282.388 -0.734 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000580784324 354999071 /nfs/dbraw/zinc/99/90/71/354999071.db2.gz UPDKSAVMQGVKKM-CQSZACIVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000580836055 355000216 /nfs/dbraw/zinc/00/02/16/355000216.db2.gz UPPDAFCPECIEQW-PHIMTYICSA-N 2 1 268.361 -0.996 20 0 CBADMP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CC[NH2+]CC1 ZINC000580892737 355001011 /nfs/dbraw/zinc/00/10/11/355001011.db2.gz KDBKMAHAHGSPRX-OKILXGFUSA-N 3 1 252.406 -0.177 20 0 CBADMP C[C@H](Cn1cncn1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000584524836 355030705 /nfs/dbraw/zinc/03/07/05/355030705.db2.gz KPTDSRDFIRKUGD-ZYHUDNBSSA-N 2 1 253.350 -0.289 20 0 CBADMP C[C@H](Cn1cncn1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000584524836 355030706 /nfs/dbraw/zinc/03/07/06/355030706.db2.gz KPTDSRDFIRKUGD-ZYHUDNBSSA-N 2 1 253.350 -0.289 20 0 CBADMP CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@H](C[NH3+])C1 ZINC000584519393 355030810 /nfs/dbraw/zinc/03/08/10/355030810.db2.gz HMVKFYNNQVCAMP-DGCLKSJQSA-N 2 1 281.404 -0.493 20 0 CBADMP C[C@@H](Cn1cncn1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000584524833 355031093 /nfs/dbraw/zinc/03/10/93/355031093.db2.gz KPTDSRDFIRKUGD-CMPLNLGQSA-N 2 1 253.350 -0.289 20 0 CBADMP C[C@@H](Cn1cncn1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000584524833 355031098 /nfs/dbraw/zinc/03/10/98/355031098.db2.gz KPTDSRDFIRKUGD-CMPLNLGQSA-N 2 1 253.350 -0.289 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000584839034 355040127 /nfs/dbraw/zinc/04/01/27/355040127.db2.gz CRJLGLYRHLDWHY-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCN2C1=O ZINC000584851598 355040611 /nfs/dbraw/zinc/04/06/11/355040611.db2.gz XLAHJKXFIBCTDB-OLZOCXBDSA-N 3 1 266.389 -0.380 20 0 CBADMP 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 283069832 /nfs/dbraw/zinc/06/98/32/283069832.db2.gz UUDOSSXXRBETFT-BNDIWNMDSA-N 2 1 264.373 -0.060 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000581200993 355004221 /nfs/dbraw/zinc/00/42/21/355004221.db2.gz UMQQDTUAHSQGRT-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000581200993 355004224 /nfs/dbraw/zinc/00/42/24/355004224.db2.gz UMQQDTUAHSQGRT-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H](C)C[C@H](C)[NH3+])c1cnn(C)c1 ZINC000581251911 355004716 /nfs/dbraw/zinc/00/47/16/355004716.db2.gz FAGKNCZQBMNFMS-NGZCFLSTSA-N 2 1 253.350 -0.077 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000582073158 355007479 /nfs/dbraw/zinc/00/74/79/355007479.db2.gz UXJICUOTBMHAJY-CHWSQXEVSA-N 2 1 296.415 -0.168 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)CCN2C1=O ZINC000582073661 355007684 /nfs/dbraw/zinc/00/76/84/355007684.db2.gz LWDZHJZZJBPDQW-QJPTWQEYSA-N 2 1 253.346 -0.343 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[NH2+]CC1 ZINC000582122884 355008547 /nfs/dbraw/zinc/00/85/47/355008547.db2.gz KRLZOUQIJWUOQW-UHFFFAOYSA-N 2 1 257.334 -0.697 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[NH2+]CC1 ZINC000582122884 355008549 /nfs/dbraw/zinc/00/85/49/355008549.db2.gz KRLZOUQIJWUOQW-UHFFFAOYSA-N 2 1 257.334 -0.697 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000582350474 355014881 /nfs/dbraw/zinc/01/48/81/355014881.db2.gz FBIMBNVEMSXPSZ-VXGBXAGGSA-N 2 1 294.399 -0.450 20 0 CBADMP COC[C@@](C)(O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000583495418 355018039 /nfs/dbraw/zinc/01/80/39/355018039.db2.gz DJLQNVDCKFJQKA-STQMWFEESA-N 2 1 260.378 -0.181 20 0 CBADMP COC[C@@](C)(O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000583495418 355018040 /nfs/dbraw/zinc/01/80/40/355018040.db2.gz DJLQNVDCKFJQKA-STQMWFEESA-N 2 1 260.378 -0.181 20 0 CBADMP C[C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)N1CC[NH+](C)CC1 ZINC000586754178 355052261 /nfs/dbraw/zinc/05/22/61/355052261.db2.gz WIGHRQCWZQTJNR-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)N1CC[NH+](C)CC1 ZINC000586754178 355052263 /nfs/dbraw/zinc/05/22/63/355052263.db2.gz WIGHRQCWZQTJNR-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H](C)[NH3+])[C@H](C)C1 ZINC000591361321 355094637 /nfs/dbraw/zinc/09/46/37/355094637.db2.gz UCMXCQDGSIVYHY-GHMZBOCLSA-N 2 1 286.376 -0.388 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H](C)[NH3+])[C@H](C)C1 ZINC000591361321 355094639 /nfs/dbraw/zinc/09/46/39/355094639.db2.gz UCMXCQDGSIVYHY-GHMZBOCLSA-N 2 1 286.376 -0.388 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000592135924 355133003 /nfs/dbraw/zinc/13/30/03/355133003.db2.gz YKNUGSXOLJMUBO-RYUDHWBXSA-N 2 1 283.372 -0.133 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000594186033 355237793 /nfs/dbraw/zinc/23/77/93/355237793.db2.gz IANHWVXDQHAVNQ-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593730164 355217185 /nfs/dbraw/zinc/21/71/85/355217185.db2.gz LALFQCSLTFHZSK-UTUOFQBUSA-N 2 1 298.387 -0.197 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593730161 355217248 /nfs/dbraw/zinc/21/72/48/355217248.db2.gz LALFQCSLTFHZSK-QJPTWQEYSA-N 2 1 298.387 -0.197 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736264 355217393 /nfs/dbraw/zinc/21/73/93/355217393.db2.gz KTTAACBPRXQHBR-SRVKXCTJSA-N 2 1 298.387 -0.340 20 0 CBADMP COCC(C)(C)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594739786 355259512 /nfs/dbraw/zinc/25/95/12/355259512.db2.gz VEYLPKGODFFZFS-GHMZBOCLSA-N 2 1 255.362 -0.097 20 0 CBADMP Cn1cc(CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000594875073 355265668 /nfs/dbraw/zinc/26/56/68/355265668.db2.gz QIODAJWAKSRNTB-NEPJUHHUSA-N 2 1 263.345 -0.794 20 0 CBADMP Cn1cc(CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000594875073 355265670 /nfs/dbraw/zinc/26/56/70/355265670.db2.gz QIODAJWAKSRNTB-NEPJUHHUSA-N 2 1 263.345 -0.794 20 0 CBADMP Cn1cc(CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000594875074 355266022 /nfs/dbraw/zinc/26/60/22/355266022.db2.gz QIODAJWAKSRNTB-NWDGAFQWSA-N 2 1 263.345 -0.794 20 0 CBADMP Cn1cc(CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000594875074 355266025 /nfs/dbraw/zinc/26/60/25/355266025.db2.gz QIODAJWAKSRNTB-NWDGAFQWSA-N 2 1 263.345 -0.794 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594885732 355268193 /nfs/dbraw/zinc/26/81/93/355268193.db2.gz HMJKDVSWWDUIJT-IJLUTSLNSA-N 2 1 280.372 -0.759 20 0 CBADMP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000595663448 355299628 /nfs/dbraw/zinc/29/96/28/355299628.db2.gz KLBAUSJRXRHCBB-WCQYABFASA-N 2 1 299.371 -0.929 20 0 CBADMP COC(=O)CCN1CCC[C@@H]([N@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000595892805 355314294 /nfs/dbraw/zinc/31/42/94/355314294.db2.gz NYXAMXNCFOEBTD-NWDGAFQWSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1=O ZINC000595894631 355315233 /nfs/dbraw/zinc/31/52/33/355315233.db2.gz VBBAWMCLLLDIDT-UTUOFQBUSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1=O ZINC000595894631 355315238 /nfs/dbraw/zinc/31/52/38/355315238.db2.gz VBBAWMCLLLDIDT-UTUOFQBUSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CC[NH2+]CC2)C1 ZINC000595904553 355317611 /nfs/dbraw/zinc/31/76/11/355317611.db2.gz FTZJSZBEVUWXQU-TXEJJXNPSA-N 2 1 283.372 -0.308 20 0 CBADMP COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000595905606 355317814 /nfs/dbraw/zinc/31/78/14/355317814.db2.gz WAIRMEDGDNILOA-CQSZACIVSA-N 2 1 285.388 -0.454 20 0 CBADMP COC[C@@]1(C(=O)OC)CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000595905606 355317815 /nfs/dbraw/zinc/31/78/15/355317815.db2.gz WAIRMEDGDNILOA-CQSZACIVSA-N 2 1 285.388 -0.454 20 0 CBADMP CCn1cc(CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000598682058 355450035 /nfs/dbraw/zinc/45/00/35/355450035.db2.gz LCXVMTPCMAJKHY-OLZOCXBDSA-N 2 1 277.372 -0.311 20 0 CBADMP CCn1cc(CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000598682058 355450036 /nfs/dbraw/zinc/45/00/36/355450036.db2.gz LCXVMTPCMAJKHY-OLZOCXBDSA-N 2 1 277.372 -0.311 20 0 CBADMP COC(=O)CCCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000600712034 355562060 /nfs/dbraw/zinc/56/20/60/355562060.db2.gz VOHYPKMXEHGLLO-WDEREUQCSA-N 2 1 269.345 -0.427 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@H+](C[C@H]3CCCCO3)CCN2C1=O ZINC000601326935 355586788 /nfs/dbraw/zinc/58/67/88/355586788.db2.gz XXHYOUDGBFITRT-QJPTWQEYSA-N 2 1 253.346 -0.201 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](C[C@H]3CCCCO3)CCN2C1=O ZINC000601326935 355586791 /nfs/dbraw/zinc/58/67/91/355586791.db2.gz XXHYOUDGBFITRT-QJPTWQEYSA-N 2 1 253.346 -0.201 20 0 CBADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CCOCC[NH3+] ZINC000600737422 355564289 /nfs/dbraw/zinc/56/42/89/355564289.db2.gz VGZQAWDEIWJEBX-SNVBAGLBSA-N 2 1 288.392 -0.094 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[N@H+](CC3=CCCOC3)CCN2C1=O ZINC000600767687 355565934 /nfs/dbraw/zinc/56/59/34/355565934.db2.gz CDRDNMCCFWAVOZ-RYUDHWBXSA-N 2 1 251.330 -0.423 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CC3=CCCOC3)CCN2C1=O ZINC000600767687 355565938 /nfs/dbraw/zinc/56/59/38/355565938.db2.gz CDRDNMCCFWAVOZ-RYUDHWBXSA-N 2 1 251.330 -0.423 20 0 CBADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CC3=CCCOC3)CCN2C1=O ZINC000600767685 355566062 /nfs/dbraw/zinc/56/60/62/355566062.db2.gz CDRDNMCCFWAVOZ-NEPJUHHUSA-N 2 1 251.330 -0.423 20 0 CBADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC3=CCCOC3)CCN2C1=O ZINC000600767685 355566064 /nfs/dbraw/zinc/56/60/64/355566064.db2.gz CDRDNMCCFWAVOZ-NEPJUHHUSA-N 2 1 251.330 -0.423 20 0 CBADMP C[NH+]1CCC(CNC(=O)CN2CC[NH+](C)CC2)CC1 ZINC000600985029 355573002 /nfs/dbraw/zinc/57/30/02/355573002.db2.gz CGBXJWNSIUXOQD-UHFFFAOYSA-N 2 1 268.405 -0.308 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000601006507 355575553 /nfs/dbraw/zinc/57/55/53/355575553.db2.gz BSSYFFJHCDDHCA-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000601006507 355575555 /nfs/dbraw/zinc/57/55/55/355575555.db2.gz BSSYFFJHCDDHCA-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP COCC[N@@H+]1CCC[C@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000601005485 355575856 /nfs/dbraw/zinc/57/58/56/355575856.db2.gz SATPCTOOVDHTAP-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP COCC[N@H+]1CCC[C@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000601005485 355575862 /nfs/dbraw/zinc/57/58/62/355575862.db2.gz SATPCTOOVDHTAP-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP COCC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000601005486 355576273 /nfs/dbraw/zinc/57/62/73/355576273.db2.gz SATPCTOOVDHTAP-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP COCC[N@H+]1CCC[C@@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000601005486 355576276 /nfs/dbraw/zinc/57/62/76/355576276.db2.gz SATPCTOOVDHTAP-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+](C)C1 ZINC000602164643 355636270 /nfs/dbraw/zinc/63/62/70/355636270.db2.gz VZCOGJVIEKJJHX-CHWSQXEVSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+](C)C1 ZINC000602164643 355636274 /nfs/dbraw/zinc/63/62/74/355636274.db2.gz VZCOGJVIEKJJHX-CHWSQXEVSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+](C)C1 ZINC000602164643 355636275 /nfs/dbraw/zinc/63/62/75/355636275.db2.gz VZCOGJVIEKJJHX-CHWSQXEVSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+](C)C1 ZINC000602164644 355637327 /nfs/dbraw/zinc/63/73/27/355637327.db2.gz VZCOGJVIEKJJHX-OLZOCXBDSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+](C)C1 ZINC000602164644 355637329 /nfs/dbraw/zinc/63/73/29/355637329.db2.gz VZCOGJVIEKJJHX-OLZOCXBDSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+](C)C1 ZINC000602164644 355637331 /nfs/dbraw/zinc/63/73/31/355637331.db2.gz VZCOGJVIEKJJHX-OLZOCXBDSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)CCNC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000603432390 355715391 /nfs/dbraw/zinc/71/53/91/355715391.db2.gz HYJFBROMZIZUFH-IUCAKERBSA-N 2 1 257.334 -0.619 20 0 CBADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000603435757 355716138 /nfs/dbraw/zinc/71/61/38/355716138.db2.gz ZDMMKFSUOYKGQF-RKDXNWHRSA-N 2 1 254.334 -0.310 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H](C)O)CC1 ZINC000607754914 355748248 /nfs/dbraw/zinc/74/82/48/355748248.db2.gz FFOYYBJCZBMLNG-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000612864143 355853241 /nfs/dbraw/zinc/85/32/41/355853241.db2.gz JGKZXNDCTGGRJZ-CQSZACIVSA-N 2 1 297.403 -0.798 20 0 CBADMP C[C@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000612887600 355854762 /nfs/dbraw/zinc/85/47/62/355854762.db2.gz QREZKGDAPIXEDN-UKRRQHHQSA-N 2 1 297.447 -0.079 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000612979700 355858773 /nfs/dbraw/zinc/85/87/73/355858773.db2.gz IYHUHPFGBZTFOO-BXUZGUMPSA-N 2 1 282.388 -0.506 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612989063 355859214 /nfs/dbraw/zinc/85/92/14/355859214.db2.gz HAXUNWXZAIOWOI-QWHCGFSZSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+](C)C[C@@H](CO)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000614841334 355988128 /nfs/dbraw/zinc/98/81/28/355988128.db2.gz DZBRDXATOBXDOK-LBPRGKRZSA-N 2 1 289.339 -0.080 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614847671 355989493 /nfs/dbraw/zinc/98/94/93/355989493.db2.gz NEGJIBLJBKEUPU-GRYCIOLGSA-N 2 1 257.378 -0.102 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)CC2 ZINC000614848047 355990448 /nfs/dbraw/zinc/99/04/48/355990448.db2.gz OILMYBADMMCCPO-VXGBXAGGSA-N 2 1 280.372 -0.207 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000614506870 355965837 /nfs/dbraw/zinc/96/58/37/355965837.db2.gz JYAWMFGTFXCUGL-CHWSQXEVSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614506870 355965839 /nfs/dbraw/zinc/96/58/39/355965839.db2.gz JYAWMFGTFXCUGL-CHWSQXEVSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614506870 355965842 /nfs/dbraw/zinc/96/58/42/355965842.db2.gz JYAWMFGTFXCUGL-CHWSQXEVSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000614507499 355965960 /nfs/dbraw/zinc/96/59/60/355965960.db2.gz POKLTUSIXIRHSJ-AWEZNQCLSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)CC[N@H+]1C ZINC000614514886 355967488 /nfs/dbraw/zinc/96/74/88/355967488.db2.gz QKODNHNUHLSRCE-MGPQQGTHSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1C ZINC000614514886 355967492 /nfs/dbraw/zinc/96/74/92/355967492.db2.gz QKODNHNUHLSRCE-MGPQQGTHSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC[NH+]1C ZINC000614514886 355967496 /nfs/dbraw/zinc/96/74/96/355967496.db2.gz QKODNHNUHLSRCE-MGPQQGTHSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000615307071 356020353 /nfs/dbraw/zinc/02/03/53/356020353.db2.gz CRVXOXHITCGQLE-CHWSQXEVSA-N 2 1 268.405 -0.215 20 0 CBADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000615313284 356020934 /nfs/dbraw/zinc/02/09/34/356020934.db2.gz HXGVKIMLBSDVCE-MGPQQGTHSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1([NH+](C)C)CC1 ZINC000616478044 356092884 /nfs/dbraw/zinc/09/28/84/356092884.db2.gz JKOKBHIEEVZFFE-LLVKDONJSA-N 2 1 282.388 -0.341 20 0 CBADMP CN(CCC[NH+](C)C)CCNC(=O)CN1CC[NH+](C)CC1 ZINC000617766297 356156427 /nfs/dbraw/zinc/15/64/27/356156427.db2.gz FNUDDKCOYRAJKM-UHFFFAOYSA-N 2 1 299.463 -0.767 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(NC(N)=O)CC1 ZINC000617506245 356139771 /nfs/dbraw/zinc/13/97/71/356139771.db2.gz GWHWDPINMOWWRV-NSHDSACASA-N 2 1 299.419 -0.425 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(NC(N)=O)CC1 ZINC000617506245 356139775 /nfs/dbraw/zinc/13/97/75/356139775.db2.gz GWHWDPINMOWWRV-NSHDSACASA-N 2 1 299.419 -0.425 20 0 CBADMP COC[C@@](C)(O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506696 356139860 /nfs/dbraw/zinc/13/98/60/356139860.db2.gz WLTPAERYEPKDSY-GXTWGEPZSA-N 2 1 289.420 -0.228 20 0 CBADMP COC[C@@](C)(O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506696 356139862 /nfs/dbraw/zinc/13/98/62/356139862.db2.gz WLTPAERYEPKDSY-GXTWGEPZSA-N 2 1 289.420 -0.228 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000619898074 356230801 /nfs/dbraw/zinc/23/08/01/356230801.db2.gz QFRSMCCAHRWQOY-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000619898074 356230806 /nfs/dbraw/zinc/23/08/06/356230806.db2.gz QFRSMCCAHRWQOY-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000619898074 356230811 /nfs/dbraw/zinc/23/08/11/356230811.db2.gz QFRSMCCAHRWQOY-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@H](C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)N1CC[NH+](C)CC1 ZINC000621698806 356281322 /nfs/dbraw/zinc/28/13/22/356281322.db2.gz GGDJMGZFEVFLOC-UMVBOHGHSA-N 2 1 280.416 -0.038 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CC(N)=O)C1 ZINC000621295291 356267066 /nfs/dbraw/zinc/26/70/66/356267066.db2.gz CYDDITNLXUKMQK-NWDGAFQWSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CC(N)=O)C1 ZINC000621295291 356267068 /nfs/dbraw/zinc/26/70/68/356267068.db2.gz CYDDITNLXUKMQK-NWDGAFQWSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000621295291 356267069 /nfs/dbraw/zinc/26/70/69/356267069.db2.gz CYDDITNLXUKMQK-NWDGAFQWSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000621295291 356267072 /nfs/dbraw/zinc/26/70/72/356267072.db2.gz CYDDITNLXUKMQK-NWDGAFQWSA-N 2 1 257.378 -0.115 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000620478632 356244562 /nfs/dbraw/zinc/24/45/62/356244562.db2.gz ZRTXEJCCZGZDBF-JSGCOSHPSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000620478632 356244566 /nfs/dbraw/zinc/24/45/66/356244566.db2.gz ZRTXEJCCZGZDBF-JSGCOSHPSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000620478632 356244570 /nfs/dbraw/zinc/24/45/70/356244570.db2.gz ZRTXEJCCZGZDBF-JSGCOSHPSA-N 2 1 281.400 -0.004 20 0 CBADMP CCn1cc(CC[N@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000621774005 356283778 /nfs/dbraw/zinc/28/37/78/356283778.db2.gz IBNNQPNKWMYLLA-UHFFFAOYSA-N 2 1 279.388 -0.191 20 0 CBADMP CCn1cc(CC[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000621774005 356283780 /nfs/dbraw/zinc/28/37/80/356283780.db2.gz IBNNQPNKWMYLLA-UHFFFAOYSA-N 2 1 279.388 -0.191 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)C1CC1 ZINC000621839030 356289107 /nfs/dbraw/zinc/28/91/07/356289107.db2.gz MWLGLXLBHQYBGL-IAQYHMDHSA-N 2 1 294.399 -0.463 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623503151 356366648 /nfs/dbraw/zinc/36/66/48/356366648.db2.gz NQQJTOKIRZZYPN-JTQLQIEISA-N 2 1 263.407 -0.002 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503151 356366652 /nfs/dbraw/zinc/36/66/52/356366652.db2.gz NQQJTOKIRZZYPN-JTQLQIEISA-N 2 1 263.407 -0.002 20 0 CBADMP CCCC[NH+]1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000623868793 356380688 /nfs/dbraw/zinc/38/06/88/356380688.db2.gz HORFBACBUMWCSA-UHFFFAOYSA-N 2 1 265.365 -0.205 20 0 CBADMP C[C@H]1C[C@H](N(C)c2nc(N)[nH+]c(N)n2)CC[N@H+]1C ZINC000623991985 356386292 /nfs/dbraw/zinc/38/62/92/356386292.db2.gz YIDAIAWDPFAGMB-JGVFFNPUSA-N 2 1 251.338 -0.384 20 0 CBADMP C[C@@H]1C[C@H](N(C)c2nc(N)[nH+]c(N)n2)CC[N@H+]1C ZINC000623991984 356386714 /nfs/dbraw/zinc/38/67/14/356386714.db2.gz YIDAIAWDPFAGMB-HTQZYQBOSA-N 2 1 251.338 -0.384 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1nc(N)[nH+]c(N)n1 ZINC000624024286 356390980 /nfs/dbraw/zinc/39/09/80/356390980.db2.gz CENMGEMHCIFOAI-SFYZADRCSA-N 2 1 251.338 -0.527 20 0 CBADMP C[N@H+]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)[C@@H]1c1ccccc1 ZINC000624068515 356395454 /nfs/dbraw/zinc/39/54/54/356395454.db2.gz YFNVIPVUUAHFAC-QWRGUYRKSA-N 2 1 285.355 -0.024 20 0 CBADMP C[C@H](CCNc1nc(N)nc(N)[nH+]1)[NH+]1CCCCC1 ZINC000624099549 356397039 /nfs/dbraw/zinc/39/70/39/356397039.db2.gz VENDWHXSUQTFPI-SECBINFHSA-N 2 1 265.365 -0.205 20 0 CBADMP Nc1nc(N)[nH+]c(NCC2CC[NH+](CC3CC3)CC2)n1 ZINC000624411191 356421114 /nfs/dbraw/zinc/42/11/14/356421114.db2.gz YRYMQTNNFIBYRW-UHFFFAOYSA-N 2 1 277.376 -0.347 20 0 CBADMP CCC[N@H+]1CCC[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000624217779 356404711 /nfs/dbraw/zinc/40/47/11/356404711.db2.gz IGMWGCNFFZGMCV-QMMMGPOBSA-N 2 1 251.338 -0.595 20 0 CBADMP C[N@H+]1CCC[C@]2(CCN(c3nc(N)[nH+]c(N)n3)C2)C1 ZINC000624245436 356406174 /nfs/dbraw/zinc/40/61/74/356406174.db2.gz DFOCBZXKKNZBNT-LBPRGKRZSA-N 2 1 263.349 -0.381 20 0 CBADMP 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 356504229 /nfs/dbraw/zinc/50/42/29/356504229.db2.gz OCGKAPPHKSXJLU-KVVVAFMNSA-N 2 1 296.415 -0.232 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC[NH+]1CCOCC1 ZINC000626918285 356556496 /nfs/dbraw/zinc/55/64/96/356556496.db2.gz XEAMINZHWFZPPJ-NWDGAFQWSA-N 2 1 270.377 -0.242 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000626979252 356562468 /nfs/dbraw/zinc/56/24/68/356562468.db2.gz VBJVUWPNXDXZGK-OLZOCXBDSA-N 2 1 295.431 -0.184 20 0 CBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000626979252 356562471 /nfs/dbraw/zinc/56/24/71/356562471.db2.gz VBJVUWPNXDXZGK-OLZOCXBDSA-N 2 1 295.431 -0.184 20 0 CBADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000626929460 356557218 /nfs/dbraw/zinc/55/72/18/356557218.db2.gz NIQDJYXIHVLPNH-KGLIPLIRSA-N 2 1 297.447 -0.081 20 0 CBADMP CCN(CC[NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000626934301 356557227 /nfs/dbraw/zinc/55/72/27/356557227.db2.gz XAYKAFWNOODJRF-UHFFFAOYSA-N 2 1 285.392 -0.859 20 0 CBADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000626938003 356558136 /nfs/dbraw/zinc/55/81/36/356558136.db2.gz LROOCKNYRXVPRU-UPJWGTAASA-N 2 1 282.388 -0.099 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)NCCOCCC[NH3+] ZINC000626950231 356558609 /nfs/dbraw/zinc/55/86/09/356558609.db2.gz NIAQDXRICWTMDL-NSHDSACASA-N 2 1 258.366 -0.255 20 0 CBADMP CN(CCOCC[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000626978904 356562610 /nfs/dbraw/zinc/56/26/10/356562610.db2.gz MQDDCRMJXWEOOO-LLVKDONJSA-N 2 1 270.377 -0.160 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[NH2+]1 ZINC000626974626 356561725 /nfs/dbraw/zinc/56/17/25/356561725.db2.gz JPGIGVNINXNPEN-AGIUHOORSA-N 2 1 283.420 -0.328 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626973290 356562014 /nfs/dbraw/zinc/56/20/14/356562014.db2.gz XBICIWMYYDRUMQ-VXGBXAGGSA-N 2 1 269.393 -0.717 20 0 CBADMP C[C@@H](NC(=O)NCCOCCC[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000627004084 356566106 /nfs/dbraw/zinc/56/61/06/356566106.db2.gz ZNUSOCFIZSVNNJ-VXGBXAGGSA-N 2 1 288.392 -0.630 20 0 CBADMP C[C@@H](NC(=O)NCCOCCC[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000627004084 356566109 /nfs/dbraw/zinc/56/61/09/356566109.db2.gz ZNUSOCFIZSVNNJ-VXGBXAGGSA-N 2 1 288.392 -0.630 20 0 CBADMP CCN(CC[NH3+])C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000626982505 356563718 /nfs/dbraw/zinc/56/37/18/356563718.db2.gz JGJURBLPHNCTIH-NSHDSACASA-N 2 1 258.366 -0.303 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CC[NH2+]C2)n1C ZINC000626994249 356564250 /nfs/dbraw/zinc/56/42/50/356564250.db2.gz ALYUIZFVULGTHC-SECBINFHSA-N 2 1 266.349 -0.353 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C)CCO1 ZINC000627134717 356587820 /nfs/dbraw/zinc/58/78/20/356587820.db2.gz AYULDCRHBKZQEE-IJLUTSLNSA-N 2 1 270.377 -0.162 20 0 CBADMP C[NH2+]CCOCCNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000627171075 356593343 /nfs/dbraw/zinc/59/33/43/356593343.db2.gz PVXYDKJMFCAYRZ-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@@H]1CCC[NH2+]1 ZINC000627073739 356574738 /nfs/dbraw/zinc/57/47/38/356574738.db2.gz KNTUPWUZWYRIFK-QWRGUYRKSA-N 2 1 256.350 -0.896 20 0 CBADMP CC(C)C[C@@H](C[NH3+])NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627081824 356577318 /nfs/dbraw/zinc/57/73/18/356577318.db2.gz ZEVJENCDOAQGPG-NWDGAFQWSA-N 2 1 272.393 -0.274 20 0 CBADMP CC(C)C[C@@H](C[NH3+])NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627081826 356577669 /nfs/dbraw/zinc/57/76/69/356577669.db2.gz ZEVJENCDOAQGPG-RYUDHWBXSA-N 2 1 272.393 -0.274 20 0 CBADMP C[C@@]1(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)CCC[NH2+]C1 ZINC000627084096 356578295 /nfs/dbraw/zinc/57/82/95/356578295.db2.gz OFRQPXKLVOSCRB-TZMCWYRMSA-N 2 1 284.404 -0.258 20 0 CBADMP [NH3+]C1(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)CCC1 ZINC000627083836 356578333 /nfs/dbraw/zinc/57/83/33/356578333.db2.gz MMIIFFNKMMZAES-SNVBAGLBSA-N 2 1 256.350 -0.766 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627086156 356578806 /nfs/dbraw/zinc/57/88/06/356578806.db2.gz IXTMLCSLJPGBHR-UTUOFQBUSA-N 2 1 270.377 -0.650 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627086150 356579192 /nfs/dbraw/zinc/57/91/92/356579192.db2.gz IXTMLCSLJPGBHR-GRYCIOLGSA-N 2 1 270.377 -0.650 20 0 CBADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627086152 356579311 /nfs/dbraw/zinc/57/93/11/356579311.db2.gz IXTMLCSLJPGBHR-QJPTWQEYSA-N 2 1 270.377 -0.650 20 0 CBADMP [NH3+][C@@H]1CCC[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000627087413 356580164 /nfs/dbraw/zinc/58/01/64/356580164.db2.gz JMKHLAFQSNDUKZ-GRYCIOLGSA-N 2 1 270.377 -0.378 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC[NH2+]1 ZINC000627088779 356580670 /nfs/dbraw/zinc/58/06/70/356580670.db2.gz IONBDHMCXBJASR-UTUOFQBUSA-N 2 1 270.377 -0.507 20 0 CBADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627090731 356581712 /nfs/dbraw/zinc/58/17/12/356581712.db2.gz YNHGWCXNBGDKGN-SRVKXCTJSA-N 2 1 270.377 -0.650 20 0 CBADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627090732 356581726 /nfs/dbraw/zinc/58/17/26/356581726.db2.gz YNHGWCXNBGDKGN-TUAOUCFPSA-N 2 1 270.377 -0.650 20 0 CBADMP C[NH2+]CCOCCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000627174461 356594457 /nfs/dbraw/zinc/59/44/57/356594457.db2.gz OQQCZNXWCJAOML-OLZOCXBDSA-N 2 1 284.404 -0.042 20 0 CBADMP O=C(NCCC[C@H]1CCC[NH2+]1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627100993 356582729 /nfs/dbraw/zinc/58/27/29/356582729.db2.gz VLZOLXZREXPQKH-CHWSQXEVSA-N 2 1 284.404 -0.116 20 0 CBADMP C[C@H](CCC[NH3+])NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627096632 356583027 /nfs/dbraw/zinc/58/30/27/356583027.db2.gz XPWMIVYSSOCIIG-MNOVXSKESA-N 2 1 258.366 -0.520 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000627104046 356583820 /nfs/dbraw/zinc/58/38/20/356583820.db2.gz QKXCZDUUJSVUIS-WDEREUQCSA-N 2 1 256.350 -0.632 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627104905 356584054 /nfs/dbraw/zinc/58/40/54/356584054.db2.gz PVDZKIGAWHAZGF-AXFHLTTASA-N 2 1 258.366 -0.522 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000627107355 356584613 /nfs/dbraw/zinc/58/46/13/356584613.db2.gz XRAAFQPRLAOADS-SYQHCUMBSA-N 2 1 296.415 -0.260 20 0 CBADMP C[NH2+]CCOCCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000627174460 356594506 /nfs/dbraw/zinc/59/45/06/356594506.db2.gz OQQCZNXWCJAOML-CHWSQXEVSA-N 2 1 284.404 -0.042 20 0 CBADMP [NH3+]CC1(CCNC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000627109846 356585507 /nfs/dbraw/zinc/58/55/07/356585507.db2.gz OPMGDEHUNACTFI-LLVKDONJSA-N 2 1 270.377 -0.519 20 0 CBADMP CC(C)[C@H]([NH3+])CCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627115488 356585897 /nfs/dbraw/zinc/58/58/97/356585897.db2.gz AEACPCXGPQXQRA-NWDGAFQWSA-N 2 1 272.393 -0.274 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1CC12CC[NH2+]CC2 ZINC000627119694 356586603 /nfs/dbraw/zinc/58/66/03/356586603.db2.gz SXVOTCGBUXIRJT-RYUDHWBXSA-N 2 1 282.388 -0.506 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000627118197 356587083 /nfs/dbraw/zinc/58/70/83/356587083.db2.gz ULWZVTKKWRZMGL-JTQLQIEISA-N 2 1 294.359 -0.466 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000627118198 356587102 /nfs/dbraw/zinc/58/71/02/356587102.db2.gz ULWZVTKKWRZMGL-SNVBAGLBSA-N 2 1 294.359 -0.466 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000627226035 356610057 /nfs/dbraw/zinc/61/00/57/356610057.db2.gz FHCTWZZUVXLIQV-QWRGUYRKSA-N 2 1 256.350 -0.550 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000627225706 356610087 /nfs/dbraw/zinc/61/00/87/356610087.db2.gz AYULDCRHBKZQEE-SRVKXCTJSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000627244917 356610927 /nfs/dbraw/zinc/61/09/27/356610927.db2.gz ABFVGRIMIGKOLF-RWMBFGLXSA-N 2 1 284.404 -0.117 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000627244918 356611481 /nfs/dbraw/zinc/61/14/81/356611481.db2.gz ABFVGRIMIGKOLF-YNEHKIRRSA-N 2 1 284.404 -0.117 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000627258202 356615934 /nfs/dbraw/zinc/61/59/34/356615934.db2.gz WOVVWYZDGLJZIQ-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627258202 356615936 /nfs/dbraw/zinc/61/59/36/356615936.db2.gz WOVVWYZDGLJZIQ-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627258202 356615939 /nfs/dbraw/zinc/61/59/39/356615939.db2.gz WOVVWYZDGLJZIQ-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C[NH2+]1 ZINC000627205205 356604465 /nfs/dbraw/zinc/60/44/65/356604465.db2.gz NXFOXALNHJQOJS-WZRBSPASSA-N 2 1 270.377 -0.507 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C[NH2+]1 ZINC000627205204 356604609 /nfs/dbraw/zinc/60/46/09/356604609.db2.gz NXFOXALNHJQOJS-NTZNESFSSA-N 2 1 270.377 -0.507 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000627357243 356631400 /nfs/dbraw/zinc/63/14/00/356631400.db2.gz BCVFBOJNWOQCTP-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627268903 356617427 /nfs/dbraw/zinc/61/74/27/356617427.db2.gz JTKMXIVNCGLSCK-STQMWFEESA-N 2 1 278.356 -0.141 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627268903 356617429 /nfs/dbraw/zinc/61/74/29/356617429.db2.gz JTKMXIVNCGLSCK-STQMWFEESA-N 2 1 278.356 -0.141 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627308444 356624384 /nfs/dbraw/zinc/62/43/84/356624384.db2.gz PTTKCVVWCHWARS-NWDGAFQWSA-N 2 1 282.388 -0.687 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000627425237 356644489 /nfs/dbraw/zinc/64/44/89/356644489.db2.gz IZEVYQFQXKHYLK-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)C1 ZINC000627428497 356645340 /nfs/dbraw/zinc/64/53/40/356645340.db2.gz HJURYDLFIBJUDE-RWMBFGLXSA-N 2 1 296.415 -0.156 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627428963 356645610 /nfs/dbraw/zinc/64/56/10/356645610.db2.gz TWGPGXVXDZJOKC-UPJWGTAASA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000627456258 356649310 /nfs/dbraw/zinc/64/93/10/356649310.db2.gz GKCZGVQEEIWTGJ-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000627398678 356638957 /nfs/dbraw/zinc/63/89/57/356638957.db2.gz TWANVDXTVMUFGA-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000627398423 356639158 /nfs/dbraw/zinc/63/91/58/356639158.db2.gz MRSFTPDYVWVCDQ-LOWDOPEQSA-N 2 1 294.399 -0.404 20 0 CBADMP CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000627504736 356660236 /nfs/dbraw/zinc/66/02/36/356660236.db2.gz DEDVPFKRDWOZGN-PWSUYJOCSA-N 2 1 280.372 -0.840 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000627506552 356660935 /nfs/dbraw/zinc/66/09/35/356660935.db2.gz XJWQUXCLWKGXEE-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627505998 356661027 /nfs/dbraw/zinc/66/10/27/356661027.db2.gz SUBMGMAXRFXPMC-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627506370 356661124 /nfs/dbraw/zinc/66/11/24/356661124.db2.gz MTKFULFAUVMJCB-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000627506829 356661600 /nfs/dbraw/zinc/66/16/00/356661600.db2.gz LFILEQYNFVCRDR-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627507064 356661604 /nfs/dbraw/zinc/66/16/04/356661604.db2.gz YTNMZAPUTJPFDV-VXGBXAGGSA-N 2 1 282.388 -0.687 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000627506698 356661733 /nfs/dbraw/zinc/66/17/33/356661733.db2.gz FGEWMKMBLKGORG-LLVKDONJSA-N 2 1 280.372 -0.839 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000627500030 356658324 /nfs/dbraw/zinc/65/83/24/356658324.db2.gz KQRKDVDCENTZCP-CYZMBNFOSA-N 2 1 294.399 -0.452 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627502969 356658860 /nfs/dbraw/zinc/65/88/60/356658860.db2.gz VIIIUZPWMSCTBS-RWMBFGLXSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627501427 356658898 /nfs/dbraw/zinc/65/88/98/356658898.db2.gz KAACZHMROPQGJV-XQQFMLRXSA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627501427 356658901 /nfs/dbraw/zinc/65/89/01/356658901.db2.gz KAACZHMROPQGJV-XQQFMLRXSA-N 2 1 296.415 -0.348 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000627983635 356682647 /nfs/dbraw/zinc/68/26/47/356682647.db2.gz BZFNQTWHRPUBEH-UHFFFAOYSA-N 2 1 293.371 -0.576 20 0 CBADMP C[NH+](C)C1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000628585146 356714368 /nfs/dbraw/zinc/71/43/68/356714368.db2.gz SLDMDOVNWJCVCM-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000629170727 356751006 /nfs/dbraw/zinc/75/10/06/356751006.db2.gz XPCAMGQHDSMFMO-OLZOCXBDSA-N 2 1 267.373 -0.204 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000629170727 356751010 /nfs/dbraw/zinc/75/10/10/356751010.db2.gz XPCAMGQHDSMFMO-OLZOCXBDSA-N 2 1 267.373 -0.204 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000629170727 356751013 /nfs/dbraw/zinc/75/10/13/356751013.db2.gz XPCAMGQHDSMFMO-OLZOCXBDSA-N 2 1 267.373 -0.204 20 0 CBADMP CCNC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629568061 356780317 /nfs/dbraw/zinc/78/03/17/356780317.db2.gz IJNMPUKWIQNDPU-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP CCS(=O)(=O)NCC[N@H+](C)CCOCC[NH2+]C ZINC000629570262 356780433 /nfs/dbraw/zinc/78/04/33/356780433.db2.gz BMRQTZMRZYSOAB-UHFFFAOYSA-N 2 1 267.395 -0.907 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+](C)CCOCC[NH2+]C ZINC000629570262 356780434 /nfs/dbraw/zinc/78/04/34/356780434.db2.gz BMRQTZMRZYSOAB-UHFFFAOYSA-N 2 1 267.395 -0.907 20 0 CBADMP C[NH+]1CCN(c2ncc(CN[C@@H]3CC[NH2+]C3)cn2)CC1 ZINC000629409198 356772738 /nfs/dbraw/zinc/77/27/38/356772738.db2.gz BRRXMINNAKDJFG-CYBMUJFWSA-N 2 1 276.388 -0.320 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000629512167 356774650 /nfs/dbraw/zinc/77/46/50/356774650.db2.gz BKLNIQPWLYAJDQ-SRVKXCTJSA-N 2 1 254.378 -0.204 20 0 CBADMP Cn1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000629652098 356788903 /nfs/dbraw/zinc/78/89/03/356788903.db2.gz VZJGMJFUKDXJRS-UHFFFAOYSA-N 2 1 250.346 -0.111 20 0 CBADMP Cn1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000629652098 356788906 /nfs/dbraw/zinc/78/89/06/356788906.db2.gz VZJGMJFUKDXJRS-UHFFFAOYSA-N 2 1 250.346 -0.111 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000629797184 356794670 /nfs/dbraw/zinc/79/46/70/356794670.db2.gz AWVNGKJAIWOZBX-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000629797184 356794672 /nfs/dbraw/zinc/79/46/72/356794672.db2.gz AWVNGKJAIWOZBX-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000629797958 356795024 /nfs/dbraw/zinc/79/50/24/356795024.db2.gz GXJZCILIDCGINO-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000629798845 356795299 /nfs/dbraw/zinc/79/52/99/356795299.db2.gz LSQHJNDNRLSSBN-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000629801883 356796129 /nfs/dbraw/zinc/79/61/29/356796129.db2.gz DAXXVQFKUNMTSS-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000629811121 356798002 /nfs/dbraw/zinc/79/80/02/356798002.db2.gz BQVVXXHUQNHMHJ-PHIMTYICSA-N 2 1 270.377 -0.655 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000629811121 356798003 /nfs/dbraw/zinc/79/80/03/356798003.db2.gz BQVVXXHUQNHMHJ-PHIMTYICSA-N 2 1 270.377 -0.655 20 0 CBADMP C[NH+]1CCC(C(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000629913533 356806022 /nfs/dbraw/zinc/80/60/22/356806022.db2.gz FNTAZWAYVALWDQ-LBPRGKRZSA-N 2 1 255.362 -0.489 20 0 CBADMP CC1CC[NH+](CC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000629914473 356807202 /nfs/dbraw/zinc/80/72/02/356807202.db2.gz VLOIHVOZMSOWLT-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000629916839 356808125 /nfs/dbraw/zinc/80/81/25/356808125.db2.gz XPCAMGQHDSMFMO-STQMWFEESA-N 2 1 267.373 -0.204 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000629916839 356808126 /nfs/dbraw/zinc/80/81/26/356808126.db2.gz XPCAMGQHDSMFMO-STQMWFEESA-N 2 1 267.373 -0.204 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000629916839 356808127 /nfs/dbraw/zinc/80/81/27/356808127.db2.gz XPCAMGQHDSMFMO-STQMWFEESA-N 2 1 267.373 -0.204 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000629916838 356808280 /nfs/dbraw/zinc/80/82/80/356808280.db2.gz XPCAMGQHDSMFMO-QWHCGFSZSA-N 2 1 267.373 -0.204 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000629916838 356808281 /nfs/dbraw/zinc/80/82/81/356808281.db2.gz XPCAMGQHDSMFMO-QWHCGFSZSA-N 2 1 267.373 -0.204 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000629916838 356808282 /nfs/dbraw/zinc/80/82/82/356808282.db2.gz XPCAMGQHDSMFMO-QWHCGFSZSA-N 2 1 267.373 -0.204 20 0 CBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[N@@H+](C)C1CCC1 ZINC000630018899 356818295 /nfs/dbraw/zinc/81/82/95/356818295.db2.gz LBHWUKAAOUGYLH-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP Cn1cc(N2CCC[C@H]([N@H+](C)CCOCC[NH3+])C2=O)cn1 ZINC000629576513 356781739 /nfs/dbraw/zinc/78/17/39/356781739.db2.gz ADQJSLXCIIIKBE-ZDUSSCGKSA-N 2 1 295.387 -0.177 20 0 CBADMP Cn1cc(N2CCC[C@H]([N@@H+](C)CCOCC[NH3+])C2=O)cn1 ZINC000629576513 356781742 /nfs/dbraw/zinc/78/17/42/356781742.db2.gz ADQJSLXCIIIKBE-ZDUSSCGKSA-N 2 1 295.387 -0.177 20 0 CBADMP OCCC[N@H+]1CCC[C@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000629583879 356784066 /nfs/dbraw/zinc/78/40/66/356784066.db2.gz JWDBIXKBPHEVSM-GJZGRUSLSA-N 2 1 285.432 -0.121 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000629595370 356785054 /nfs/dbraw/zinc/78/50/54/356785054.db2.gz NMAYHKQFCKAGLH-VXGBXAGGSA-N 2 1 275.418 -0.143 20 0 CBADMP COC[C@H]([NH3+])Cc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000630593169 356853504 /nfs/dbraw/zinc/85/35/04/356853504.db2.gz IGSXHKQADGMSFE-SECBINFHSA-N 2 1 263.301 -0.329 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631821156 356908891 /nfs/dbraw/zinc/90/88/91/356908891.db2.gz QJDMEDXJEDLFEO-VXGBXAGGSA-N 2 1 292.387 -0.448 20 0 CBADMP COCCCS(=O)(=O)NCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839604 356911219 /nfs/dbraw/zinc/91/12/19/356911219.db2.gz IGPCIJSIZCALIB-VXGBXAGGSA-N 2 1 293.433 -0.531 20 0 CBADMP COCCCS(=O)(=O)NCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839604 356911223 /nfs/dbraw/zinc/91/12/23/356911223.db2.gz IGPCIJSIZCALIB-VXGBXAGGSA-N 2 1 293.433 -0.531 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000631849488 356912008 /nfs/dbraw/zinc/91/20/08/356912008.db2.gz LCUINSSLNDLHAA-AVGNSLFASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1CN(S(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000631904375 356919486 /nfs/dbraw/zinc/91/94/86/356919486.db2.gz LVLGLQOJPWJSAP-QWRGUYRKSA-N 2 1 290.433 -0.403 20 0 CBADMP C[C@@H]1CN(S(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000631904374 356919717 /nfs/dbraw/zinc/91/97/17/356919717.db2.gz LVLGLQOJPWJSAP-PHIMTYICSA-N 2 1 290.433 -0.403 20 0 CBADMP CN([C@@H]1CC[NH2+]C1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631904414 356920170 /nfs/dbraw/zinc/92/01/70/356920170.db2.gz MUZKRIVFHZAJIO-SNVBAGLBSA-N 2 1 261.391 -0.296 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000631930072 356925452 /nfs/dbraw/zinc/92/54/52/356925452.db2.gz WIBVFJCAJPQQRN-JTQLQIEISA-N 2 1 277.390 -0.930 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000631936723 356927769 /nfs/dbraw/zinc/92/77/69/356927769.db2.gz KBDBIZFDFJFEKP-NWDGAFQWSA-N 2 1 291.417 -0.669 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000631938348 356928757 /nfs/dbraw/zinc/92/87/57/356928757.db2.gz BEBDRGHKAOZOMG-UWVGGRQHSA-N 2 1 279.381 -0.300 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000632214010 356960720 /nfs/dbraw/zinc/96/07/20/356960720.db2.gz PNZGOESYUARBCZ-LBPRGKRZSA-N 2 1 291.417 -0.933 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000632214010 356960722 /nfs/dbraw/zinc/96/07/22/356960722.db2.gz PNZGOESYUARBCZ-LBPRGKRZSA-N 2 1 291.417 -0.933 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000632431082 356987924 /nfs/dbraw/zinc/98/79/24/356987924.db2.gz RAOYISBPVGENAL-LLVKDONJSA-N 2 1 263.407 -0.191 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633086763 357041591 /nfs/dbraw/zinc/04/15/91/357041591.db2.gz ZSTYHSOOFNWJIK-STQMWFEESA-N 2 1 294.399 -0.498 20 0 CBADMP 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 357044655 /nfs/dbraw/zinc/04/46/55/357044655.db2.gz UVGCQVCAZJKCBK-VOAKCMCISA-N 2 1 294.399 -0.500 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)[C@H]2C1 ZINC000633099980 357045159 /nfs/dbraw/zinc/04/51/59/357045159.db2.gz MJZAAZGIZRMSGH-VOAKCMCISA-N 2 1 292.383 -0.888 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633099265 357045529 /nfs/dbraw/zinc/04/55/29/357045529.db2.gz SQAWOOFKDQCARC-TXEJJXNPSA-N 2 1 294.399 -0.498 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000633116145 357049426 /nfs/dbraw/zinc/04/94/26/357049426.db2.gz PKDYICXVHCHUHJ-STQMWFEESA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000633116144 357049457 /nfs/dbraw/zinc/04/94/57/357049457.db2.gz PKDYICXVHCHUHJ-QWHCGFSZSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000633116215 357049674 /nfs/dbraw/zinc/04/96/74/357049674.db2.gz QHAPBYMWDKJZES-AVGNSLFASA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000633148283 357052691 /nfs/dbraw/zinc/05/26/91/357052691.db2.gz UNAXUDOONSPSEF-RYUDHWBXSA-N 2 1 294.399 -0.369 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@@H+]1C ZINC000633578897 357073651 /nfs/dbraw/zinc/07/36/51/357073651.db2.gz VIYSDVUVXFBCJQ-HZSPNIEDSA-N 2 1 281.400 -0.006 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@H+]1C ZINC000633578897 357073654 /nfs/dbraw/zinc/07/36/54/357073654.db2.gz VIYSDVUVXFBCJQ-HZSPNIEDSA-N 2 1 281.400 -0.006 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000633578897 357073656 /nfs/dbraw/zinc/07/36/56/357073656.db2.gz VIYSDVUVXFBCJQ-HZSPNIEDSA-N 2 1 281.400 -0.006 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000633578897 357073658 /nfs/dbraw/zinc/07/36/58/357073658.db2.gz VIYSDVUVXFBCJQ-HZSPNIEDSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634270502 357113939 /nfs/dbraw/zinc/11/39/39/357113939.db2.gz NNIYSCDMHUCATI-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634270502 357113943 /nfs/dbraw/zinc/11/39/43/357113943.db2.gz NNIYSCDMHUCATI-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634270507 357114058 /nfs/dbraw/zinc/11/40/58/357114058.db2.gz NNIYSCDMHUCATI-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634270507 357114061 /nfs/dbraw/zinc/11/40/61/357114061.db2.gz NNIYSCDMHUCATI-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@]1(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC[NH2+]C1 ZINC000634999461 357142208 /nfs/dbraw/zinc/14/22/08/357142208.db2.gz UYSXVDRIGIXKQP-MCIONIFRSA-N 2 1 265.357 -0.029 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635546995 357174010 /nfs/dbraw/zinc/17/40/10/357174010.db2.gz DNXRJGNFIWJFIL-CHWSQXEVSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635546995 357174012 /nfs/dbraw/zinc/17/40/12/357174012.db2.gz DNXRJGNFIWJFIL-CHWSQXEVSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635546995 357174016 /nfs/dbraw/zinc/17/40/16/357174016.db2.gz DNXRJGNFIWJFIL-CHWSQXEVSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+](C)C ZINC000635544370 357174294 /nfs/dbraw/zinc/17/42/94/357174294.db2.gz QENLETIWGKFJIB-LLVKDONJSA-N 2 1 284.404 -0.395 20 0 CBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000634533720 357122878 /nfs/dbraw/zinc/12/28/78/357122878.db2.gz NRBPZZGKCRHERX-FRRDWIJNSA-N 2 1 295.383 -0.356 20 0 CBADMP C[C@@](O)(C[C@@H](O)C[NH2+]C1CC[NH+](CCO)CC1)C1CC1 ZINC000634645561 357124953 /nfs/dbraw/zinc/12/49/53/357124953.db2.gz OXVBKZKYKKTSSE-HUUCEWRRSA-N 2 1 286.416 -0.055 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634718578 357128670 /nfs/dbraw/zinc/12/86/70/357128670.db2.gz FTDJVJNERIJMNO-YNEHKIRRSA-N 2 1 260.378 -0.590 20 0 CBADMP NC(=O)[C@H](O)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721194 357129368 /nfs/dbraw/zinc/12/93/68/357129368.db2.gz VADIOTJWJGNSGR-HIFRSBDPSA-N 2 1 293.367 -0.941 20 0 CBADMP NC(=O)[C@H](O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721194 357129369 /nfs/dbraw/zinc/12/93/69/357129369.db2.gz VADIOTJWJGNSGR-HIFRSBDPSA-N 2 1 293.367 -0.941 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635728415 357197735 /nfs/dbraw/zinc/19/77/35/357197735.db2.gz XDZUPBDWPXIQNC-WCQYABFASA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCO ZINC000635823518 357213692 /nfs/dbraw/zinc/21/36/92/357213692.db2.gz OYAXEYRYUBLSOM-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CCO ZINC000635823518 357213693 /nfs/dbraw/zinc/21/36/93/357213693.db2.gz OYAXEYRYUBLSOM-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CCO ZINC000635823518 357213694 /nfs/dbraw/zinc/21/36/94/357213694.db2.gz OYAXEYRYUBLSOM-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCO ZINC000635823518 357213696 /nfs/dbraw/zinc/21/36/96/357213696.db2.gz OYAXEYRYUBLSOM-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000635900877 357228082 /nfs/dbraw/zinc/22/80/82/357228082.db2.gz YOLDYDSPPXVUOH-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000635900877 357228084 /nfs/dbraw/zinc/22/80/84/357228084.db2.gz YOLDYDSPPXVUOH-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000635900877 357228086 /nfs/dbraw/zinc/22/80/86/357228086.db2.gz YOLDYDSPPXVUOH-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000635928430 357234683 /nfs/dbraw/zinc/23/46/83/357234683.db2.gz GHXHJHYGGWPXIK-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)C1 ZINC000635928430 357234687 /nfs/dbraw/zinc/23/46/87/357234687.db2.gz GHXHJHYGGWPXIK-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)C1 ZINC000635928430 357234692 /nfs/dbraw/zinc/23/46/92/357234692.db2.gz GHXHJHYGGWPXIK-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000636581247 357290715 /nfs/dbraw/zinc/29/07/15/357290715.db2.gz XBNPICRBJDGWTR-GXTWGEPZSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000636581247 357290719 /nfs/dbraw/zinc/29/07/19/357290719.db2.gz XBNPICRBJDGWTR-GXTWGEPZSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000636581247 357290721 /nfs/dbraw/zinc/29/07/21/357290721.db2.gz XBNPICRBJDGWTR-GXTWGEPZSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000636596611 357292024 /nfs/dbraw/zinc/29/20/24/357292024.db2.gz SUSISALAZONIJA-RDBSUJKOSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000636596611 357292027 /nfs/dbraw/zinc/29/20/27/357292027.db2.gz SUSISALAZONIJA-RDBSUJKOSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000636596611 357292031 /nfs/dbraw/zinc/29/20/31/357292031.db2.gz SUSISALAZONIJA-RDBSUJKOSA-N 2 1 296.415 -0.021 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636624529 357294242 /nfs/dbraw/zinc/29/42/42/357294242.db2.gz VWGRJRAUZTUXGJ-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000636624529 357294243 /nfs/dbraw/zinc/29/42/43/357294243.db2.gz VWGRJRAUZTUXGJ-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000636624529 357294245 /nfs/dbraw/zinc/29/42/45/357294245.db2.gz VWGRJRAUZTUXGJ-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+](C)C1CC1 ZINC000636732863 357298715 /nfs/dbraw/zinc/29/87/15/357298715.db2.gz YBKKNINLVKVGOD-WCQYABFASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H](CNC(=O)NCC[NH+]1CC[C@@H](O)C1)[N@H+](C)C1CC1 ZINC000636732863 357298717 /nfs/dbraw/zinc/29/87/17/357298717.db2.gz YBKKNINLVKVGOD-WCQYABFASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H](CNC(=O)NCC[NH+]1CC[C@@H](O)C1)[N@@H+](C)C1CC1 ZINC000636732863 357298720 /nfs/dbraw/zinc/29/87/20/357298720.db2.gz YBKKNINLVKVGOD-WCQYABFASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@H+]1C ZINC000636844696 357306495 /nfs/dbraw/zinc/30/64/95/357306495.db2.gz KYQFEQASYFSJQW-UPJWGTAASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000636844696 357306500 /nfs/dbraw/zinc/30/65/00/357306500.db2.gz KYQFEQASYFSJQW-UPJWGTAASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000636844696 357306506 /nfs/dbraw/zinc/30/65/06/357306506.db2.gz KYQFEQASYFSJQW-UPJWGTAASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1)[NH+](C)C ZINC000636009220 357249008 /nfs/dbraw/zinc/24/90/08/357249008.db2.gz XVDROPJENCJXGE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1)[NH+](C)C ZINC000636009222 357249130 /nfs/dbraw/zinc/24/91/30/357249130.db2.gz XVDROPJENCJXGE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1=O ZINC000636121387 357264229 /nfs/dbraw/zinc/26/42/29/357264229.db2.gz VDJGYRKHQWAZTC-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(C)CCNC1=O ZINC000636160288 357268426 /nfs/dbraw/zinc/26/84/26/357268426.db2.gz CRWDPQICWMDHSQ-SWLSCSKDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(C)CCNC1=O ZINC000636160288 357268428 /nfs/dbraw/zinc/26/84/28/357268428.db2.gz CRWDPQICWMDHSQ-SWLSCSKDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH+](C)CC1(C(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000636286411 357276593 /nfs/dbraw/zinc/27/65/93/357276593.db2.gz BQPHXBMLUOUJAL-LLVKDONJSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636287646 357276714 /nfs/dbraw/zinc/27/67/14/357276714.db2.gz KORUXUYCCISLCK-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000636287646 357276715 /nfs/dbraw/zinc/27/67/15/357276715.db2.gz KORUXUYCCISLCK-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000636287646 357276718 /nfs/dbraw/zinc/27/67/18/357276718.db2.gz KORUXUYCCISLCK-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000636291438 357277674 /nfs/dbraw/zinc/27/76/74/357277674.db2.gz KORUXUYCCISLCK-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000636291438 357277676 /nfs/dbraw/zinc/27/76/76/357277676.db2.gz KORUXUYCCISLCK-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000636291438 357277678 /nfs/dbraw/zinc/27/76/78/357277678.db2.gz KORUXUYCCISLCK-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636290963 357278022 /nfs/dbraw/zinc/27/80/22/357278022.db2.gz FLEBYIIYWMRGJI-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000637818890 357370814 /nfs/dbraw/zinc/37/08/14/357370814.db2.gz KAOZBBARWNQTKT-LBPRGKRZSA-N 2 1 293.371 -0.495 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000637821519 357371551 /nfs/dbraw/zinc/37/15/51/357371551.db2.gz SMQXCWGMLVIAET-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000637823850 357371586 /nfs/dbraw/zinc/37/15/86/357371586.db2.gz JCFVNUCLIFKVDG-QWHCGFSZSA-N 2 1 282.388 -0.146 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000637836343 357373582 /nfs/dbraw/zinc/37/35/82/357373582.db2.gz ZDRWFACZJCXASG-GRYCIOLGSA-N 2 1 255.362 -0.227 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000637836343 357373588 /nfs/dbraw/zinc/37/35/88/357373588.db2.gz ZDRWFACZJCXASG-GRYCIOLGSA-N 2 1 255.362 -0.227 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000637836346 357373909 /nfs/dbraw/zinc/37/39/09/357373909.db2.gz ZDRWFACZJCXASG-WOPDTQHZSA-N 2 1 255.362 -0.227 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000637836346 357373913 /nfs/dbraw/zinc/37/39/13/357373913.db2.gz ZDRWFACZJCXASG-WOPDTQHZSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000636923821 357312554 /nfs/dbraw/zinc/31/25/54/357312554.db2.gz ZUEWBNAACWXYMG-BNOWGMLFSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636923821 357312559 /nfs/dbraw/zinc/31/25/59/357312559.db2.gz ZUEWBNAACWXYMG-BNOWGMLFSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636923821 357312566 /nfs/dbraw/zinc/31/25/66/357312566.db2.gz ZUEWBNAACWXYMG-BNOWGMLFSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000636923890 357312801 /nfs/dbraw/zinc/31/28/01/357312801.db2.gz ZUEWBNAACWXYMG-XBFCOCLRSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636923890 357312805 /nfs/dbraw/zinc/31/28/05/357312805.db2.gz ZUEWBNAACWXYMG-XBFCOCLRSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636923890 357312809 /nfs/dbraw/zinc/31/28/09/357312809.db2.gz ZUEWBNAACWXYMG-XBFCOCLRSA-N 2 1 296.415 -0.165 20 0 CBADMP C[NH+](C)C1(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)CCC1 ZINC000637069584 357320263 /nfs/dbraw/zinc/32/02/63/357320263.db2.gz CXCYEYGZBUJTOT-GFCCVEGCSA-N 2 1 284.404 -0.164 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1CCc2[nH]cnc2C1 ZINC000637157301 357326915 /nfs/dbraw/zinc/32/69/15/357326915.db2.gz SNPIRDBTCNZAHV-QWRGUYRKSA-N 2 1 293.371 -0.367 20 0 CBADMP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CCc2nc[nH]c2C1 ZINC000637157301 357326917 /nfs/dbraw/zinc/32/69/17/357326917.db2.gz SNPIRDBTCNZAHV-QWRGUYRKSA-N 2 1 293.371 -0.367 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1CCc2nc[nH]c2C1 ZINC000637157301 357326920 /nfs/dbraw/zinc/32/69/20/357326920.db2.gz SNPIRDBTCNZAHV-QWRGUYRKSA-N 2 1 293.371 -0.367 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000637530375 357356363 /nfs/dbraw/zinc/35/63/63/357356363.db2.gz BOVFDMBWNQGKKC-SRVKXCTJSA-N 2 1 270.377 -0.603 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCOCCOC)C1 ZINC000637801426 357366669 /nfs/dbraw/zinc/36/66/69/357366669.db2.gz KBIKHXCRKZLZCO-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCCC[NH3+] ZINC000637801603 357367036 /nfs/dbraw/zinc/36/70/36/357367036.db2.gz HUGPPDFRSXAEJD-CYBMUJFWSA-N 2 1 264.373 -0.089 20 0 CBADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NCCC[NH3+] ZINC000637801603 357367040 /nfs/dbraw/zinc/36/70/40/357367040.db2.gz HUGPPDFRSXAEJD-CYBMUJFWSA-N 2 1 264.373 -0.089 20 0 CBADMP CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000637809229 357367822 /nfs/dbraw/zinc/36/78/22/357367822.db2.gz NJZFPHWJKDBXNH-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1C ZINC000637811507 357368332 /nfs/dbraw/zinc/36/83/32/357368332.db2.gz PHYALKSDYFQZGK-QWHCGFSZSA-N 2 1 268.405 -0.262 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000637811494 357368781 /nfs/dbraw/zinc/36/87/81/357368781.db2.gz MFKOGCVFGJJSNJ-ZIAGYGMSSA-N 2 1 276.384 -0.076 20 0 CBADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000637811494 357368784 /nfs/dbraw/zinc/36/87/84/357368784.db2.gz MFKOGCVFGJJSNJ-ZIAGYGMSSA-N 2 1 276.384 -0.076 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000638254669 357443959 /nfs/dbraw/zinc/44/39/59/357443959.db2.gz VWBGJIVIIAKVBY-WCFLWFBJSA-N 2 1 273.352 -0.087 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)CN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000638058286 357407687 /nfs/dbraw/zinc/40/76/87/357407687.db2.gz AFADCAVWFGUUSN-OKILXGFUSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@]1(C(=O)NCC[NH+]2CCSCC2)C[NH2+]CCO1 ZINC000638069138 357410174 /nfs/dbraw/zinc/41/01/74/357410174.db2.gz MZXCOXDAFRUGOF-GFCCVEGCSA-N 2 1 273.402 -0.470 20 0 CBADMP C[C@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000638083506 357413752 /nfs/dbraw/zinc/41/37/52/357413752.db2.gz FWNHIVBYFJMFPO-GXFFZTMASA-N 2 1 253.346 -0.282 20 0 CBADMP C[C@@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)C[NH+]1CCOCC1 ZINC000638089804 357414286 /nfs/dbraw/zinc/41/42/86/357414286.db2.gz DNNFBTKDDSSBPJ-DZGCQCFKSA-N 2 1 299.415 -0.174 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638091429 357414404 /nfs/dbraw/zinc/41/44/04/357414404.db2.gz NYNBEGGFEUUGLN-ZDUSSCGKSA-N 2 1 273.377 -0.564 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638090927 357414773 /nfs/dbraw/zinc/41/47/73/357414773.db2.gz IWSNMZIWECFPPD-YPMHNXCESA-N 2 1 273.377 -0.552 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638239859 357442528 /nfs/dbraw/zinc/44/25/28/357442528.db2.gz DYXGYYXBQKVFLF-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638099403 357417007 /nfs/dbraw/zinc/41/70/07/357417007.db2.gz HMGGKMJYTNZFCA-YPMHNXCESA-N 2 1 271.361 -0.798 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638102797 357418063 /nfs/dbraw/zinc/41/80/63/357418063.db2.gz WUJBCYMRRKQDGF-GXTWGEPZSA-N 2 1 285.388 -0.421 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638102067 357418163 /nfs/dbraw/zinc/41/81/63/357418163.db2.gz XJVZOWRBISDELL-UKRRQHHQSA-N 2 1 299.415 -0.031 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638137726 357424299 /nfs/dbraw/zinc/42/42/99/357424299.db2.gz MRJWGFSDARVIJS-UHFFFAOYSA-N 2 1 297.447 -0.965 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638136827 357424430 /nfs/dbraw/zinc/42/44/30/357424430.db2.gz BNJFVHAUEHVUGM-MELADBBJSA-N 2 1 298.431 -0.508 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000638134942 357424484 /nfs/dbraw/zinc/42/44/84/357424484.db2.gz QNPMKKGYQCDZSC-NWDGAFQWSA-N 2 1 266.389 -0.367 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638137099 357424502 /nfs/dbraw/zinc/42/45/02/357424502.db2.gz RKMNIZGNQWYUKG-HNNXBMFYSA-N 2 1 298.431 -0.504 20 0 CBADMP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000638169886 357430458 /nfs/dbraw/zinc/43/04/58/357430458.db2.gz MXUORNVDHWLAOU-YPMHNXCESA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+](C)C ZINC000638173821 357431490 /nfs/dbraw/zinc/43/14/90/357431490.db2.gz KXGISKPFQGOHTK-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N[C@H]2CCC[NH2+]CC2)O1 ZINC000638191248 357432983 /nfs/dbraw/zinc/43/29/83/357432983.db2.gz XCRAHRJGGOKQQA-WOPDTQHZSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N[C@H]2CCC[NH2+]CC2)O1 ZINC000638191248 357432989 /nfs/dbraw/zinc/43/29/89/357432989.db2.gz XCRAHRJGGOKQQA-WOPDTQHZSA-N 2 1 255.362 -0.036 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638213778 357435428 /nfs/dbraw/zinc/43/54/28/357435428.db2.gz IXRQRIIILWWFDH-OKILXGFUSA-N 2 1 299.415 -0.351 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000638222536 357436333 /nfs/dbraw/zinc/43/63/33/357436333.db2.gz OARBFOCUGOZFAW-WDEREUQCSA-N 2 1 265.361 -0.109 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)O1 ZINC000638226403 357436933 /nfs/dbraw/zinc/43/69/33/357436933.db2.gz GDLWZGGTVMVILE-HZSPNIEDSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)O1 ZINC000638226403 357436937 /nfs/dbraw/zinc/43/69/37/357436937.db2.gz GDLWZGGTVMVILE-HZSPNIEDSA-N 2 1 296.415 -0.788 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000638226724 357437149 /nfs/dbraw/zinc/43/71/49/357437149.db2.gz IOHZXJVFOIEZOL-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000637866878 357379386 /nfs/dbraw/zinc/37/93/86/357379386.db2.gz QSKQRXYOPQDATK-GHMZBOCLSA-N 2 1 252.318 -0.234 20 0 CBADMP CN1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](C[NH3+])C1 ZINC000637865936 357379420 /nfs/dbraw/zinc/37/94/20/357379420.db2.gz GNWXCLUWLDPWMJ-RYUDHWBXSA-N 2 1 254.378 -0.428 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000637868575 357380032 /nfs/dbraw/zinc/38/00/32/357380032.db2.gz XYHSOZGWECSIBP-KOLCDFICSA-N 2 1 252.318 -0.234 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCO1 ZINC000637867156 357380160 /nfs/dbraw/zinc/38/01/60/357380160.db2.gz RXPCDJSAIVJYOF-RNJOBUHISA-N 2 1 283.372 -0.576 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCO1 ZINC000637867154 357380592 /nfs/dbraw/zinc/38/05/92/357380592.db2.gz RXPCDJSAIVJYOF-CYDGBPFRSA-N 2 1 283.372 -0.576 20 0 CBADMP CO[C@]1(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCOC1 ZINC000638571633 357495422 /nfs/dbraw/zinc/49/54/22/357495422.db2.gz NQDBEFVAQUYFAN-HIFRSBDPSA-N 2 1 299.415 -0.031 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638571387 357495680 /nfs/dbraw/zinc/49/56/80/357495680.db2.gz PQRSZMWJFKLSGD-QWHCGFSZSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@]1(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)C[NH2+]CCO1 ZINC000638253465 357444333 /nfs/dbraw/zinc/44/43/33/357444333.db2.gz NZCKOMGJVKLYSI-VXGBXAGGSA-N 2 1 259.325 -0.475 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000638263435 357445909 /nfs/dbraw/zinc/44/59/09/357445909.db2.gz BTWAOMRRVWJYQM-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638276457 357447975 /nfs/dbraw/zinc/44/79/75/357447975.db2.gz YBCVYOYLLPPUAX-AWEZNQCLSA-N 2 1 285.388 -0.454 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638276459 357448599 /nfs/dbraw/zinc/44/85/99/357448599.db2.gz YBCVYOYLLPPUAX-CQSZACIVSA-N 2 1 285.388 -0.454 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CN1CC[NH2+]CC1 ZINC000638284449 357451266 /nfs/dbraw/zinc/45/12/66/357451266.db2.gz GVHVRICKZLAEKM-QWHCGFSZSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@]1(C(=O)NCC[N@@H+]2CCCOCC2)C[NH2+]CCO1 ZINC000638294698 357453059 /nfs/dbraw/zinc/45/30/59/357453059.db2.gz QLALWBZCGMTXNT-CYBMUJFWSA-N 2 1 271.361 -0.797 20 0 CBADMP C[C@]1(C(=O)NCC[N@H+]2CCCOCC2)C[NH2+]CCO1 ZINC000638294698 357453064 /nfs/dbraw/zinc/45/30/64/357453064.db2.gz QLALWBZCGMTXNT-CYBMUJFWSA-N 2 1 271.361 -0.797 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000638343939 357460290 /nfs/dbraw/zinc/46/02/90/357460290.db2.gz PZSNTONNZGADTM-RYUDHWBXSA-N 2 1 255.362 -0.096 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638368268 357463569 /nfs/dbraw/zinc/46/35/69/357463569.db2.gz UNGGOLZUTSTRGV-HNNXBMFYSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000638439250 357477624 /nfs/dbraw/zinc/47/76/24/357477624.db2.gz DGRSSXKJDLNFEV-NSHDSACASA-N 2 1 253.346 -0.471 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000638494887 357485779 /nfs/dbraw/zinc/48/57/79/357485779.db2.gz BZTAQJQKDAVSOM-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000638644785 357515515 /nfs/dbraw/zinc/51/55/15/357515515.db2.gz SAAUAVILQHLMLN-WOPDTQHZSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000638644785 357515519 /nfs/dbraw/zinc/51/55/19/357515519.db2.gz SAAUAVILQHLMLN-WOPDTQHZSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[NH+](C)CC1 ZINC000638914982 357542766 /nfs/dbraw/zinc/54/27/66/357542766.db2.gz GOFUVMMZTVBZOR-WOPDTQHZSA-N 2 1 252.362 -0.805 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638926113 357544564 /nfs/dbraw/zinc/54/45/64/357544564.db2.gz VPWUIUKWZRMNOZ-GRYCIOLGSA-N 2 1 253.346 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638926113 357544569 /nfs/dbraw/zinc/54/45/69/357544569.db2.gz VPWUIUKWZRMNOZ-GRYCIOLGSA-N 2 1 253.346 -0.330 20 0 CBADMP O=C(Cc1nnc[nH]1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983218 357548651 /nfs/dbraw/zinc/54/86/51/357548651.db2.gz DCDWKDQMKLXFEB-UHFFFAOYSA-N 2 1 287.327 -0.210 20 0 CBADMP CO[C@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000639049578 357555745 /nfs/dbraw/zinc/55/57/45/357555745.db2.gz VHQVUXNDQBJIEP-JHJVBQTASA-N 2 1 258.362 -0.306 20 0 CBADMP CO[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000639049578 357555746 /nfs/dbraw/zinc/55/57/46/357555746.db2.gz VHQVUXNDQBJIEP-JHJVBQTASA-N 2 1 258.362 -0.306 20 0 CBADMP COC[C@@H](CO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639123424 357558229 /nfs/dbraw/zinc/55/82/29/357558229.db2.gz AMDLJJMHNCZQPU-GFCCVEGCSA-N 2 1 260.378 -0.181 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000639164343 357560791 /nfs/dbraw/zinc/56/07/91/357560791.db2.gz NSLPZIXGSRBKCK-MNOVXSKESA-N 2 1 278.422 -0.545 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000639164343 357560793 /nfs/dbraw/zinc/56/07/93/357560793.db2.gz NSLPZIXGSRBKCK-MNOVXSKESA-N 2 1 278.422 -0.545 20 0 CBADMP CN1C(=O)CC[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1=O ZINC000639278352 357565253 /nfs/dbraw/zinc/56/52/53/357565253.db2.gz IAZGGJSVMFJNJK-LBPRGKRZSA-N 2 1 297.399 -0.041 20 0 CBADMP CN(C)C(=O)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766930 357597667 /nfs/dbraw/zinc/59/76/67/357597667.db2.gz PSVSHOJJWDGGBN-ZDUSSCGKSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000640350217 357650290 /nfs/dbraw/zinc/65/02/90/357650290.db2.gz LMKSNJKELZYGRD-LLVKDONJSA-N 2 1 272.393 -0.178 20 0 CBADMP C[C@H](CC[N@H+]1C[C@@H]2C[C@]2(O)C1)[NH+]1C[C@H]2C[C@@]2(O)C1 ZINC000640481974 357656532 /nfs/dbraw/zinc/65/65/32/357656532.db2.gz OMGMRNCSMJLWMC-XHJNMGKDSA-N 2 1 252.358 -0.102 20 0 CBADMP C[C@H](CC[NH+]1C[C@@H]2C[C@]2(O)C1)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640481974 357656535 /nfs/dbraw/zinc/65/65/35/357656535.db2.gz OMGMRNCSMJLWMC-XHJNMGKDSA-N 2 1 252.358 -0.102 20 0 CBADMP C[C@H](CC[NH+]1C[C@@H]2C[C@]2(O)C1)[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640481974 357656538 /nfs/dbraw/zinc/65/65/38/357656538.db2.gz OMGMRNCSMJLWMC-XHJNMGKDSA-N 2 1 252.358 -0.102 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)n2cc(C[NH2+]C)nn2)CC1 ZINC000640830197 357666018 /nfs/dbraw/zinc/66/60/18/357666018.db2.gz HSSANKIAHSZIMU-NSHDSACASA-N 2 1 280.376 -0.277 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000641493515 357713257 /nfs/dbraw/zinc/71/32/57/357713257.db2.gz NUXIRXXJYMJLSA-MNOVXSKESA-N 2 1 272.393 -0.180 20 0 CBADMP COCC[N@H+](C)C[C@H](O)Cn1cc(C[NH+]2CCCC2)nn1 ZINC000641221861 357681285 /nfs/dbraw/zinc/68/12/85/357681285.db2.gz JMKZQHWUYXFMRW-AWEZNQCLSA-N 2 1 297.403 -0.187 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)Cn1cc(C[NH+]2CCCC2)nn1 ZINC000641221861 357681293 /nfs/dbraw/zinc/68/12/93/357681293.db2.gz JMKZQHWUYXFMRW-AWEZNQCLSA-N 2 1 297.403 -0.187 20 0 CBADMP CC[N@@H+](C)C[C@H](O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641223486 357682614 /nfs/dbraw/zinc/68/26/14/357682614.db2.gz RCVJVSMPTXDLGW-YPMHNXCESA-N 2 1 267.377 -0.257 20 0 CBADMP NS(=O)(=O)CCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000641799616 357743211 /nfs/dbraw/zinc/74/32/11/357743211.db2.gz OGYKREKGFBIXMC-NSHDSACASA-N 2 1 261.391 -0.260 20 0 CBADMP NS(=O)(=O)CCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000641799616 357743215 /nfs/dbraw/zinc/74/32/15/357743215.db2.gz OGYKREKGFBIXMC-NSHDSACASA-N 2 1 261.391 -0.260 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641807733 357743960 /nfs/dbraw/zinc/74/39/60/357743960.db2.gz RLTPTPUDCIWHPM-DRZSPHRISA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)N(C)C ZINC000641803036 357744013 /nfs/dbraw/zinc/74/40/13/357744013.db2.gz CJYAQRDQDAPLLP-AEJSXWLSSA-N 2 1 270.377 -0.705 20 0 CBADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000641803750 357744074 /nfs/dbraw/zinc/74/40/74/357744074.db2.gz HAAGPYVTCLMWPE-QWRGUYRKSA-N 2 1 282.388 -0.560 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641807735 357744100 /nfs/dbraw/zinc/74/41/00/357744100.db2.gz RLTPTPUDCIWHPM-WCFLWFBJSA-N 2 1 296.415 -0.219 20 0 CBADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NCCCN1CCCC1=O ZINC000641803144 357744232 /nfs/dbraw/zinc/74/42/32/357744232.db2.gz AKSPFPVPAFFPLL-VXGBXAGGSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1(C)C ZINC000641824012 357745495 /nfs/dbraw/zinc/74/54/95/357745495.db2.gz CMSFUNSGAHNWIV-UHFFFAOYSA-N 2 1 282.388 -0.639 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1(C)C ZINC000641824012 357745497 /nfs/dbraw/zinc/74/54/97/357745497.db2.gz CMSFUNSGAHNWIV-UHFFFAOYSA-N 2 1 282.388 -0.639 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000641824194 357745807 /nfs/dbraw/zinc/74/58/07/357745807.db2.gz FEEOZDMDIODPAU-NSHDSACASA-N 2 1 282.388 -0.641 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000641824194 357745812 /nfs/dbraw/zinc/74/58/12/357745812.db2.gz FEEOZDMDIODPAU-NSHDSACASA-N 2 1 282.388 -0.641 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1(C)C ZINC000641825697 357746566 /nfs/dbraw/zinc/74/65/66/357746566.db2.gz WHXMEHNUWHOTEP-UHFFFAOYSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1(C)C ZINC000641825697 357746568 /nfs/dbraw/zinc/74/65/68/357746568.db2.gz WHXMEHNUWHOTEP-UHFFFAOYSA-N 2 1 282.388 -0.511 20 0 CBADMP 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 357753155 /nfs/dbraw/zinc/75/31/55/357753155.db2.gz GHRZFRIDMJURJN-RNJOBUHISA-N 2 1 298.431 -0.068 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)C1CC1 ZINC000642403968 357754315 /nfs/dbraw/zinc/75/43/15/357754315.db2.gz NXWRAQGXFANTLK-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000642535629 357756140 /nfs/dbraw/zinc/75/61/40/357756140.db2.gz UCNWQYOJWQIRJY-RYUDHWBXSA-N 2 1 294.399 -0.402 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000642718199 357759502 /nfs/dbraw/zinc/75/95/02/357759502.db2.gz SYTYYAOASWUPIH-QJPTWQEYSA-N 2 1 294.399 -0.404 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642755912 357761097 /nfs/dbraw/zinc/76/10/97/357761097.db2.gz ZHHNZGSIPYTWFM-ZJUUUORDSA-N 2 1 258.366 -0.704 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000642785800 357761826 /nfs/dbraw/zinc/76/18/26/357761826.db2.gz LLHHEJDQVQMKNJ-STQMWFEESA-N 2 1 294.399 -0.463 20 0 CBADMP [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000642785649 357762046 /nfs/dbraw/zinc/76/20/46/357762046.db2.gz AXYPCGJEWJNUGQ-OLZOCXBDSA-N 2 1 294.399 -0.560 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785657 357762207 /nfs/dbraw/zinc/76/22/07/357762207.db2.gz BWYCHDRDYUOSHP-OLZOCXBDSA-N 2 1 294.399 -0.545 20 0 CBADMP O=C(NCC[NH2+]C1CC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785634 357762294 /nfs/dbraw/zinc/76/22/94/357762294.db2.gz ALMHKEZSHVJXPW-CYBMUJFWSA-N 2 1 294.399 -0.545 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785655 357762380 /nfs/dbraw/zinc/76/23/80/357762380.db2.gz BGZYXDYABOVZHF-YPMHNXCESA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000642800812 357763703 /nfs/dbraw/zinc/76/37/03/357763703.db2.gz OOKGXXVJOAVJPG-JQWIXIFHSA-N 2 1 282.388 -0.417 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000642887378 357764577 /nfs/dbraw/zinc/76/45/77/357764577.db2.gz PHAFHSAZWCHIBY-NEPJUHHUSA-N 2 1 294.399 -0.273 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642904364 357766214 /nfs/dbraw/zinc/76/62/14/357766214.db2.gz UOABEOLSMRBNNC-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000642909547 357767245 /nfs/dbraw/zinc/76/72/45/357767245.db2.gz PABJKDWAGRQQRB-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000642909369 357767540 /nfs/dbraw/zinc/76/75/40/357767540.db2.gz LMZPSTXATZKJSE-SRVKXCTJSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000642910662 357768261 /nfs/dbraw/zinc/76/82/61/357768261.db2.gz LADJIXJXVABHEY-LLVKDONJSA-N 2 1 270.377 -0.750 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918158 357769461 /nfs/dbraw/zinc/76/94/61/357769461.db2.gz OYDKMTMGDBKMGL-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP O=C(NCC[NH2+]C1CC1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000642919024 357770232 /nfs/dbraw/zinc/77/02/32/357770232.db2.gz LHVUPMIEZCNQBX-UHFFFAOYSA-N 2 1 294.399 -0.449 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)[C@@H]2C1 ZINC000642919382 357770471 /nfs/dbraw/zinc/77/04/71/357770471.db2.gz YQVHLXGCAPKKDN-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000642920738 357771044 /nfs/dbraw/zinc/77/10/44/357771044.db2.gz VUWFYHXQCXPJFW-GFCCVEGCSA-N 2 1 284.404 -0.299 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000642948197 357772742 /nfs/dbraw/zinc/77/27/42/357772742.db2.gz NVHKJKCFRWOQIY-AGIUHOORSA-N 2 1 296.415 -0.219 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000642969729 357773304 /nfs/dbraw/zinc/77/33/04/357773304.db2.gz SCFSDMUMWLMUIU-CHWSQXEVSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000642956704 357773613 /nfs/dbraw/zinc/77/36/13/357773613.db2.gz NHJZNAJNCJZBJE-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000643460785 357783168 /nfs/dbraw/zinc/78/31/68/357783168.db2.gz BFDBJDHCDWLGNV-QWRGUYRKSA-N 2 1 263.407 -0.145 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000643471883 357784120 /nfs/dbraw/zinc/78/41/20/357784120.db2.gz NWWQRSBXMHBTND-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070574871 283315844 /nfs/dbraw/zinc/31/58/44/283315844.db2.gz USOZQFFPVRXWKG-VXGBXAGGSA-N 2 1 296.415 -0.170 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000346266744 283321434 /nfs/dbraw/zinc/32/14/34/283321434.db2.gz BAKPLTHJXVAQEP-AGIUHOORSA-N 2 1 296.415 -0.040 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000331558433 283352454 /nfs/dbraw/zinc/35/24/54/283352454.db2.gz GGBQXIYAIMVTRU-SNVBAGLBSA-N 2 1 268.361 -0.094 20 0 CBADMP C[C@H]1C[C@H]([NH2+]CCCNS(C)(=O)=O)CC[N@H+]1C ZINC000121135010 291146019 /nfs/dbraw/zinc/14/60/19/291146019.db2.gz YPGJLLLGANMWEN-WDEREUQCSA-N 2 1 263.407 -0.002 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174723250 283361855 /nfs/dbraw/zinc/36/18/55/283361855.db2.gz KBXUDBJXSLGPMI-LBPRGKRZSA-N 2 1 299.419 -0.600 20 0 CBADMP CNC(=O)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000338283617 283385941 /nfs/dbraw/zinc/38/59/41/283385941.db2.gz RHAKJNOUXZZSAP-ZDUSSCGKSA-N 2 1 284.404 -0.489 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000341620869 216039408 /nfs/dbraw/zinc/03/94/08/216039408.db2.gz VBJLKYQQGBLHKZ-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000333572513 291210474 /nfs/dbraw/zinc/21/04/74/291210474.db2.gz MPKXMAADPVNQQI-USZNOCQGSA-N 2 1 255.362 -0.193 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[NH+](C)C ZINC000341850158 216125517 /nfs/dbraw/zinc/12/55/17/216125517.db2.gz GEYQQYLKFCXBOI-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496109954 283542883 /nfs/dbraw/zinc/54/28/83/283542883.db2.gz YVACGUGUIJGLRA-MNOVXSKESA-N 2 1 291.392 -0.616 20 0 CBADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C(=O)N(C)C ZINC000342077443 216210224 /nfs/dbraw/zinc/21/02/24/216210224.db2.gz BVDVBUICVDTEMN-RVMXOQNASA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C(=O)N(C)C ZINC000342077443 216210227 /nfs/dbraw/zinc/21/02/27/216210227.db2.gz BVDVBUICVDTEMN-RVMXOQNASA-N 2 1 296.415 -0.362 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000342089829 216214300 /nfs/dbraw/zinc/21/43/00/216214300.db2.gz BMKOJMBXSZPKNL-QJPTWQEYSA-N 2 1 280.372 -0.996 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000342089829 216214302 /nfs/dbraw/zinc/21/43/02/216214302.db2.gz BMKOJMBXSZPKNL-QJPTWQEYSA-N 2 1 280.372 -0.996 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC[N@H+]1C ZINC000419556953 291284869 /nfs/dbraw/zinc/28/48/69/291284869.db2.gz LMMUGOPPUVRJKR-RNJOBUHISA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCC[N@H+]1C ZINC000419541707 291284746 /nfs/dbraw/zinc/28/47/46/291284746.db2.gz DGBOCSHDVORLBW-TUAOUCFPSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCC[N@H+]1C ZINC000419542363 291307406 /nfs/dbraw/zinc/30/74/06/291307406.db2.gz FJPSPHNNGNKUFQ-SDDRHHMPSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000342982920 216621411 /nfs/dbraw/zinc/62/14/11/216621411.db2.gz IBOXPNPHCPFSTL-NQBHXWOUSA-N 2 1 257.378 -0.387 20 0 CBADMP C[C@]1(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)CC[NH2+]C1 ZINC000261921209 291380504 /nfs/dbraw/zinc/38/05/04/291380504.db2.gz BPZVMAZFTORMCX-STQMWFEESA-N 2 1 266.345 -0.340 20 0 CBADMP C[C@]1(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)CC[NH2+]C1 ZINC000261921209 291380506 /nfs/dbraw/zinc/38/05/06/291380506.db2.gz BPZVMAZFTORMCX-STQMWFEESA-N 2 1 266.345 -0.340 20 0 CBADMP CCC[NH2+][C@@H](C)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000574159778 334996892 /nfs/dbraw/zinc/99/68/92/334996892.db2.gz RVYRTUHSBWJNCR-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000574262261 335004796 /nfs/dbraw/zinc/00/47/96/335004796.db2.gz PVPQYGDROOZENN-CQSZACIVSA-N 2 1 295.431 -0.159 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC[N@@H+](C)C1 ZINC000413891932 284113965 /nfs/dbraw/zinc/11/39/65/284113965.db2.gz HOIWEYHDBVUOGL-JHJVBQTASA-N 2 1 297.399 -0.253 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC[NH+](C)C1 ZINC000413891932 284113969 /nfs/dbraw/zinc/11/39/69/284113969.db2.gz HOIWEYHDBVUOGL-JHJVBQTASA-N 2 1 297.399 -0.253 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC[NH+](C)C1 ZINC000413891932 284113973 /nfs/dbraw/zinc/11/39/73/284113973.db2.gz HOIWEYHDBVUOGL-JHJVBQTASA-N 2 1 297.399 -0.253 20 0 CBADMP C[C@@H](CS(C)(=O)=O)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000330700074 203132398 /nfs/dbraw/zinc/13/23/98/203132398.db2.gz IACFGQJDRYQSBG-NSHDSACASA-N 2 1 291.417 -0.827 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000330768936 203211392 /nfs/dbraw/zinc/21/13/92/203211392.db2.gz SXDRIWNTOANRFH-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000364213350 296138226 /nfs/dbraw/zinc/13/82/26/296138226.db2.gz IDQQCUMGICUNAB-RFQIPJPRSA-N 2 1 279.384 -0.083 20 0 CBADMP O=C([C@H]1COCC[NH2+]1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000358890862 296139063 /nfs/dbraw/zinc/13/90/63/296139063.db2.gz ZMVHBHURQGOFDR-GFCCVEGCSA-N 2 1 267.373 -0.033 20 0 CBADMP 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 296147755 /nfs/dbraw/zinc/14/77/55/296147755.db2.gz JUKACSPMMWDUIQ-QNSTZXKLSA-N 2 1 279.384 -0.348 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000331970147 204346649 /nfs/dbraw/zinc/34/66/49/204346649.db2.gz LICYAWLXRDOTAJ-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000344492241 217209501 /nfs/dbraw/zinc/20/95/01/217209501.db2.gz RVDGPJIOPJWFJT-YPMHNXCESA-N 2 1 285.388 -0.674 20 0 CBADMP CC[C@@]1(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCC[NH2+]1 ZINC000122159887 372791461 /nfs/dbraw/zinc/79/14/61/372791461.db2.gz FUUSCTCJMWCLAO-OCCSQVGLSA-N 2 1 268.405 -0.119 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000068807582 372766654 /nfs/dbraw/zinc/76/66/54/372766654.db2.gz OSDRIHLIJDDXQM-GXTWGEPZSA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000333167388 205085850 /nfs/dbraw/zinc/08/58/50/205085850.db2.gz HOOVBYUBHLVNOO-WXHSDQCUSA-N 2 1 282.388 -0.243 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000333167385 205086773 /nfs/dbraw/zinc/08/67/73/205086773.db2.gz HOOVBYUBHLVNOO-RTXFEEFZSA-N 2 1 282.388 -0.243 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](C3CC3)C2)O1 ZINC000094570982 372776149 /nfs/dbraw/zinc/77/61/49/372776149.db2.gz FGSSYTLYDMBKHK-WCQGTBRESA-N 2 1 253.346 -0.154 20 0 CBADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000353443037 220086172 /nfs/dbraw/zinc/08/61/72/220086172.db2.gz BXDNTHXWUOUPBI-MCIONIFRSA-N 2 1 282.432 -0.018 20 0 CBADMP CC[C@@]1(C(=O)NC2CC[NH+](CC(=O)NC)CC2)CCC[NH2+]1 ZINC000128826400 372797204 /nfs/dbraw/zinc/79/72/04/372797204.db2.gz AHKZEHYGFPYFQR-HNNXBMFYSA-N 2 1 296.415 -0.155 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000353451058 220090964 /nfs/dbraw/zinc/09/09/64/220090964.db2.gz PIQNYZMCYZFAEQ-MNOVXSKESA-N 2 1 259.350 -0.955 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178969788 372840120 /nfs/dbraw/zinc/84/01/20/372840120.db2.gz KZSKMDQPTWUQPI-GFCCVEGCSA-N 2 1 254.378 -0.557 20 0 CBADMP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[N@H+]2CCC[C@H]2C1 ZINC000188763958 372851326 /nfs/dbraw/zinc/85/13/26/372851326.db2.gz JXLWRTBSTHCFGE-JTQLQIEISA-N 2 1 275.356 -0.024 20 0 CBADMP CC[C@H]1CN(C(=O)[C@@H]2COCCN2)CC[N@H+]1CCOC ZINC000168054272 372827036 /nfs/dbraw/zinc/82/70/36/372827036.db2.gz DLBVRLDOCDXZOG-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252862423 372897946 /nfs/dbraw/zinc/89/79/46/372897946.db2.gz OAWKNFXXHJIQST-XWLWVQCSSA-N 2 1 268.361 -0.110 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000344684622 217274219 /nfs/dbraw/zinc/27/42/19/217274219.db2.gz WBNZSXHEPNUPCQ-AAEUAGOBSA-N 2 1 289.445 -0.148 20 0 CBADMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353505749 220124130 /nfs/dbraw/zinc/12/41/30/220124130.db2.gz YPHRGEDQSOSUQI-NXEZZACHSA-N 2 1 256.350 -0.820 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353505749 220124131 /nfs/dbraw/zinc/12/41/31/220124131.db2.gz YPHRGEDQSOSUQI-NXEZZACHSA-N 2 1 256.350 -0.820 20 0 CBADMP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353505750 220124255 /nfs/dbraw/zinc/12/42/55/220124255.db2.gz YPHRGEDQSOSUQI-UWVGGRQHSA-N 2 1 256.350 -0.820 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353505750 220124258 /nfs/dbraw/zinc/12/42/58/220124258.db2.gz YPHRGEDQSOSUQI-UWVGGRQHSA-N 2 1 256.350 -0.820 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)C[N@H+]1C1CC1 ZINC000333367108 205259153 /nfs/dbraw/zinc/25/91/53/205259153.db2.gz LXVWWDMXXANOPV-MDZLAQPJSA-N 2 1 282.388 -0.101 20 0 CBADMP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353501761 220120626 /nfs/dbraw/zinc/12/06/26/220120626.db2.gz NGECSCFSPJUVLD-UWVGGRQHSA-N 2 1 256.350 -0.963 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353501761 220120629 /nfs/dbraw/zinc/12/06/29/220120629.db2.gz NGECSCFSPJUVLD-UWVGGRQHSA-N 2 1 256.350 -0.963 20 0 CBADMP CC1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353505718 220122594 /nfs/dbraw/zinc/12/25/94/220122594.db2.gz XYCIHQNZCYKBJJ-LBPRGKRZSA-N 2 1 284.404 -0.183 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000333399265 205287964 /nfs/dbraw/zinc/28/79/64/205287964.db2.gz PSXLHODEYUNWFB-NEPJUHHUSA-N 2 1 270.377 -0.242 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)Cn1cc(CN(C)CCC[NH3+])nn1 ZINC000328184067 372972658 /nfs/dbraw/zinc/97/26/58/372972658.db2.gz ODFMTDGOMOXVPC-CQSZACIVSA-N 2 1 298.435 -0.240 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333476699 205354646 /nfs/dbraw/zinc/35/46/46/205354646.db2.gz BMRZUIUFYXPGLZ-NEPJUHHUSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333476699 205354649 /nfs/dbraw/zinc/35/46/49/205354649.db2.gz BMRZUIUFYXPGLZ-NEPJUHHUSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@@H](O)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)CO ZINC000338357740 373030696 /nfs/dbraw/zinc/03/06/96/373030696.db2.gz LDEZOZZBFJWBSU-CHWSQXEVSA-N 2 1 287.404 -0.786 20 0 CBADMP C[C@@H](O)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)CO ZINC000338357740 373030698 /nfs/dbraw/zinc/03/06/98/373030698.db2.gz LDEZOZZBFJWBSU-CHWSQXEVSA-N 2 1 287.404 -0.786 20 0 CBADMP C[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000335301725 373019069 /nfs/dbraw/zinc/01/90/69/373019069.db2.gz YYFSVYZMMVGROL-VIFPVBQESA-N 2 1 262.304 -0.059 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000353538627 220143586 /nfs/dbraw/zinc/14/35/86/220143586.db2.gz XTSHZHQMVJFYTA-RWMBFGLXSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000346648990 373067158 /nfs/dbraw/zinc/06/71/58/373067158.db2.gz GIBSPJTZIBINHW-NXEZZACHSA-N 2 1 266.345 -0.747 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353535360 220145417 /nfs/dbraw/zinc/14/54/17/220145417.db2.gz VVQSLMDPVRLGBT-GRYCIOLGSA-N 2 1 273.377 -0.424 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000342375000 373046894 /nfs/dbraw/zinc/04/68/94/373046894.db2.gz OFICRJFOHLLHPJ-RYUDHWBXSA-N 2 1 257.378 -0.122 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000342375000 373046897 /nfs/dbraw/zinc/04/68/97/373046897.db2.gz OFICRJFOHLLHPJ-RYUDHWBXSA-N 2 1 257.378 -0.122 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000342375000 373046906 /nfs/dbraw/zinc/04/69/06/373046906.db2.gz OFICRJFOHLLHPJ-RYUDHWBXSA-N 2 1 257.378 -0.122 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)C[NH3+] ZINC000347661682 373073714 /nfs/dbraw/zinc/07/37/14/373073714.db2.gz JVHIPRNEJYFFQS-MNOVXSKESA-N 2 1 268.361 -0.854 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000353553273 220154153 /nfs/dbraw/zinc/15/41/53/220154153.db2.gz QURMMSWGPDIBEB-RYUDHWBXSA-N 2 1 272.393 -0.044 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000351855829 373099300 /nfs/dbraw/zinc/09/93/00/373099300.db2.gz UANYRTXTSOGWMP-MNOVXSKESA-N 2 1 263.407 -0.063 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000351863415 373099780 /nfs/dbraw/zinc/09/97/80/373099780.db2.gz TWTCJNDRCDMQLR-SRVKXCTJSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000351863415 373099789 /nfs/dbraw/zinc/09/97/89/373099789.db2.gz TWTCJNDRCDMQLR-SRVKXCTJSA-N 2 1 296.415 -0.219 20 0 CBADMP [NH3+]CCC[N@@H+](CC(=O)N1CCNC(=O)C1)CC1CCCC1 ZINC000352519285 373105783 /nfs/dbraw/zinc/10/57/83/373105783.db2.gz NITUNHLLWXUPOU-UHFFFAOYSA-N 2 1 296.415 -0.214 20 0 CBADMP [NH3+]CCC[N@H+](CC(=O)N1CCNC(=O)C1)CC1CCCC1 ZINC000352519285 373105786 /nfs/dbraw/zinc/10/57/86/373105786.db2.gz NITUNHLLWXUPOU-UHFFFAOYSA-N 2 1 296.415 -0.214 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000353462840 373113629 /nfs/dbraw/zinc/11/36/29/373113629.db2.gz UAVLIZMTMIBKND-VXGBXAGGSA-N 2 1 273.377 -0.567 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)[NH+]1CCC(C)CC1 ZINC000353564233 220159084 /nfs/dbraw/zinc/15/90/84/220159084.db2.gz PBSOXKOWYMIFGV-QWRGUYRKSA-N 2 1 270.377 -0.574 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1COC[C@@H]1O ZINC000361329380 373276581 /nfs/dbraw/zinc/27/65/81/373276581.db2.gz ZXGYYUXFXMRSSW-STQMWFEESA-N 2 1 257.378 -0.685 20 0 CBADMP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000360895860 373245062 /nfs/dbraw/zinc/24/50/62/373245062.db2.gz BPPHJEZQYGCXPV-AWEZNQCLSA-N 2 1 298.431 -0.541 20 0 CBADMP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000360895860 373245068 /nfs/dbraw/zinc/24/50/68/373245068.db2.gz BPPHJEZQYGCXPV-AWEZNQCLSA-N 2 1 298.431 -0.541 20 0 CBADMP C[C@H](CC(N)=O)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000361107398 373264068 /nfs/dbraw/zinc/26/40/68/373264068.db2.gz HZTCCMLVPYOICK-SNVBAGLBSA-N 2 1 256.350 -0.996 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2([NH3+])CC2)C1 ZINC000353596358 220182172 /nfs/dbraw/zinc/18/21/72/220182172.db2.gz IRXLJVVIPOQSPW-SNVBAGLBSA-N 2 1 268.361 -0.819 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000353599584 220183511 /nfs/dbraw/zinc/18/35/11/220183511.db2.gz TZEMAHHVMPEYAQ-NWDGAFQWSA-N 2 1 284.404 -0.327 20 0 CBADMP NS(=O)(=O)c1ccc(OCC[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050248769 220194287 /nfs/dbraw/zinc/19/42/87/220194287.db2.gz AXLZZJLGWSNXKD-NSHDSACASA-N 2 1 299.396 -0.007 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)/C=C\C[NH+](C)C)CC[N@@H+](C)C1 ZINC000493236639 284397988 /nfs/dbraw/zinc/39/79/88/284397988.db2.gz HKLWVVKPVOCIFY-FJOGCWAESA-N 2 1 283.372 -0.333 20 0 CBADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353640613 220212190 /nfs/dbraw/zinc/21/21/90/220212190.db2.gz BGYOUONUNVGVTC-VHSXEESVSA-N 2 1 256.350 -0.820 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353640613 220212196 /nfs/dbraw/zinc/21/21/96/220212196.db2.gz BGYOUONUNVGVTC-VHSXEESVSA-N 2 1 256.350 -0.820 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417442905 373628018 /nfs/dbraw/zinc/62/80/18/373628018.db2.gz WONWVULAMULHEQ-CHWSQXEVSA-N 2 1 284.404 -0.185 20 0 CBADMP COCC[N@H+](C)CCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000417441991 373628800 /nfs/dbraw/zinc/62/88/00/373628800.db2.gz SBCSVNHQHSYZFJ-CYBMUJFWSA-N 2 1 290.383 -0.092 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000417441991 373628805 /nfs/dbraw/zinc/62/88/05/373628805.db2.gz SBCSVNHQHSYZFJ-CYBMUJFWSA-N 2 1 290.383 -0.092 20 0 CBADMP CC[N@@H+](CCNC(=O)NC[C@@H]1C[NH2+]CCN1C)C1CC1 ZINC000417432866 373629325 /nfs/dbraw/zinc/62/93/25/373629325.db2.gz UIWSFRJDBNRHGR-ZDUSSCGKSA-N 2 1 283.420 -0.327 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417095903 373629521 /nfs/dbraw/zinc/62/95/21/373629521.db2.gz UYLUQMRRBMWKID-LLVKDONJSA-N 2 1 258.366 -0.384 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000418477219 373632031 /nfs/dbraw/zinc/63/20/31/373632031.db2.gz UTCTZIKPGKHJBN-TUAOUCFPSA-N 2 1 272.393 -0.322 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419029679 373635559 /nfs/dbraw/zinc/63/55/59/373635559.db2.gz RTXLPUFYMNGGJM-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC[N@H+]1C ZINC000419556952 373640348 /nfs/dbraw/zinc/64/03/48/373640348.db2.gz LMMUGOPPUVRJKR-NDBYEHHHSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC[NH2+]1 ZINC000419691141 373640772 /nfs/dbraw/zinc/64/07/72/373640772.db2.gz DKJRHQVOUYPRQF-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C(C)C ZINC000419837425 373640981 /nfs/dbraw/zinc/64/09/81/373640981.db2.gz CUROXTMHNDWDTL-GFCCVEGCSA-N 2 1 284.404 -0.299 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@@H+]1C ZINC000419855544 373641231 /nfs/dbraw/zinc/64/12/31/373641231.db2.gz CXYRWOCFLGWKAW-OLZOCXBDSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@H+]1C ZINC000419855544 373641236 /nfs/dbraw/zinc/64/12/36/373641236.db2.gz CXYRWOCFLGWKAW-OLZOCXBDSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419894464 373643218 /nfs/dbraw/zinc/64/32/18/373643218.db2.gz RDZYQBKIOUEPAZ-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419894464 373643223 /nfs/dbraw/zinc/64/32/23/373643223.db2.gz RDZYQBKIOUEPAZ-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC[N@@H+]1C ZINC000423392083 373658481 /nfs/dbraw/zinc/65/84/81/373658481.db2.gz XJKQJGDWERMODE-AVGNSLFASA-N 2 1 296.415 -0.409 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC[N@H+]1C ZINC000423392083 373658490 /nfs/dbraw/zinc/65/84/90/373658490.db2.gz XJKQJGDWERMODE-AVGNSLFASA-N 2 1 296.415 -0.409 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420026134 373646710 /nfs/dbraw/zinc/64/67/10/373646710.db2.gz ZRHLFWRHPJIBNN-TUAOUCFPSA-N 2 1 282.388 -0.465 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423364357 373655488 /nfs/dbraw/zinc/65/54/88/373655488.db2.gz VPZKOGQHHDMEHX-QWHCGFSZSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423364357 373655495 /nfs/dbraw/zinc/65/54/95/373655495.db2.gz VPZKOGQHHDMEHX-QWHCGFSZSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000423779451 373663106 /nfs/dbraw/zinc/66/31/06/373663106.db2.gz UZPVDVJJEBHLFV-VXGBXAGGSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@H+]1C[C@H](C)O ZINC000424141126 373664567 /nfs/dbraw/zinc/66/45/67/373664567.db2.gz GVHAJDFXMWUEGJ-YFKTTZPYSA-N 2 1 255.362 -0.363 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424143432 373665645 /nfs/dbraw/zinc/66/56/45/373665645.db2.gz JQWOGWNVCSWAQR-NEPJUHHUSA-N 2 1 292.387 -0.021 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424143432 373665659 /nfs/dbraw/zinc/66/56/59/373665659.db2.gz JQWOGWNVCSWAQR-NEPJUHHUSA-N 2 1 292.387 -0.021 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000424184178 373665801 /nfs/dbraw/zinc/66/58/01/373665801.db2.gz XFCGFDWDLYHNRE-GRYCIOLGSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000493990096 373736865 /nfs/dbraw/zinc/73/68/65/373736865.db2.gz BBQFLRGFUGJYQX-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000514663410 373759360 /nfs/dbraw/zinc/75/93/60/373759360.db2.gz QKSRCDUMKHLDLN-GFCCVEGCSA-N 2 1 297.403 -0.846 20 0 CBADMP CNS(=O)(=O)NC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000519825805 373825724 /nfs/dbraw/zinc/82/57/24/373825724.db2.gz KZZUQTNIYHDKCM-LBPRGKRZSA-N 2 1 290.433 -0.496 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000515302453 373782326 /nfs/dbraw/zinc/78/23/26/373782326.db2.gz UXBBQYFJWQVWBS-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H]1[NH3+] ZINC000515346293 373783116 /nfs/dbraw/zinc/78/31/16/373783116.db2.gz BDCGGWVTSXHPIP-WCQYABFASA-N 2 1 294.399 -0.654 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)Cn1ccnc1 ZINC000515403144 373787502 /nfs/dbraw/zinc/78/75/02/373787502.db2.gz LDFGBKJCQSQPIR-UHFFFAOYSA-N 2 1 254.334 -0.032 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000515619018 373792007 /nfs/dbraw/zinc/79/20/07/373792007.db2.gz FHORZGOSUVJNMO-MCIONIFRSA-N 2 1 295.431 -0.184 20 0 CBADMP C[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CC(C)C1 ZINC000521456873 373843446 /nfs/dbraw/zinc/84/34/46/373843446.db2.gz IKQQZTYUEQWSTR-OLZOCXBDSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H]1C[N@@H+](C)CCN1C[C@H](O)C[NH+](C)CCOC ZINC000521642447 373849457 /nfs/dbraw/zinc/84/94/57/373849457.db2.gz ZIDUCFAZMMSIBL-UONOGXRCSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[C@H]1C[NH+](C)CCN1C[C@H](O)C[N@H+](C)CCOC ZINC000521642447 373849464 /nfs/dbraw/zinc/84/94/64/373849464.db2.gz ZIDUCFAZMMSIBL-UONOGXRCSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[C@H]1C[NH+](C)CCN1C[C@H](O)C[N@@H+](C)CCOC ZINC000521642447 373849469 /nfs/dbraw/zinc/84/94/69/373849469.db2.gz ZIDUCFAZMMSIBL-UONOGXRCSA-N 2 1 273.421 -0.049 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000522138411 373861765 /nfs/dbraw/zinc/86/17/65/373861765.db2.gz FNCGCBVNXHTEDG-NWDGAFQWSA-N 2 1 254.378 -0.700 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000522138411 373861772 /nfs/dbraw/zinc/86/17/72/373861772.db2.gz FNCGCBVNXHTEDG-NWDGAFQWSA-N 2 1 254.378 -0.700 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000522138411 373861778 /nfs/dbraw/zinc/86/17/78/373861778.db2.gz FNCGCBVNXHTEDG-NWDGAFQWSA-N 2 1 254.378 -0.700 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000522138410 373862992 /nfs/dbraw/zinc/86/29/92/373862992.db2.gz FNCGCBVNXHTEDG-NEPJUHHUSA-N 2 1 254.378 -0.700 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000522138410 373862998 /nfs/dbraw/zinc/86/29/98/373862998.db2.gz FNCGCBVNXHTEDG-NEPJUHHUSA-N 2 1 254.378 -0.700 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000522138410 373863003 /nfs/dbraw/zinc/86/30/03/373863003.db2.gz FNCGCBVNXHTEDG-NEPJUHHUSA-N 2 1 254.378 -0.700 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N1CC[NH+](C)CC1 ZINC000522265190 373867086 /nfs/dbraw/zinc/86/70/86/373867086.db2.gz LHEKIAZQPLVZJH-CHWSQXEVSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N1CC[NH+](C)CC1 ZINC000522265192 373868103 /nfs/dbraw/zinc/86/81/03/373868103.db2.gz LHEKIAZQPLVZJH-QWHCGFSZSA-N 2 1 268.405 -0.310 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC000528560271 373960165 /nfs/dbraw/zinc/96/01/65/373960165.db2.gz KZWWDSYQCNGOCP-UHFFFAOYSA-N 2 1 279.388 -0.055 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529297379 374000099 /nfs/dbraw/zinc/00/00/99/374000099.db2.gz DPHAKALIWXRIJC-QWRGUYRKSA-N 2 1 256.350 -0.632 20 0 CBADMP CC[NH+]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529371957 374013231 /nfs/dbraw/zinc/01/32/31/374013231.db2.gz HROMAWOYYLSPFZ-LLVKDONJSA-N 2 1 256.350 -0.678 20 0 CBADMP CC[N@H+]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529376812 374017067 /nfs/dbraw/zinc/01/70/67/374017067.db2.gz OOBQUIJTEBZNFG-GFCCVEGCSA-N 2 1 270.377 -0.288 20 0 CBADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353670119 220244119 /nfs/dbraw/zinc/24/41/19/220244119.db2.gz YLDXZXKNZYWLNP-GHMZBOCLSA-N 2 1 270.377 -0.430 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353670119 220244122 /nfs/dbraw/zinc/24/41/22/220244122.db2.gz YLDXZXKNZYWLNP-GHMZBOCLSA-N 2 1 270.377 -0.430 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529378562 374019320 /nfs/dbraw/zinc/01/93/20/374019320.db2.gz IYQPSEMANKPNEA-QWHCGFSZSA-N 2 1 284.404 -0.042 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529378665 374019391 /nfs/dbraw/zinc/01/93/91/374019391.db2.gz XTOFVPOBJAIINS-OLZOCXBDSA-N 2 1 284.404 -0.042 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529378560 374019651 /nfs/dbraw/zinc/01/96/51/374019651.db2.gz IYQPSEMANKPNEA-CHWSQXEVSA-N 2 1 284.404 -0.042 20 0 CBADMP CCOC[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000530230899 374068471 /nfs/dbraw/zinc/06/84/71/374068471.db2.gz DHMBBBCGFGZQKA-ZDUSSCGKSA-N 2 1 257.378 -0.371 20 0 CBADMP CCOC[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000530230899 374068480 /nfs/dbraw/zinc/06/84/80/374068480.db2.gz DHMBBBCGFGZQKA-ZDUSSCGKSA-N 2 1 257.378 -0.371 20 0 CBADMP CCOC[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000530231425 374069874 /nfs/dbraw/zinc/06/98/74/374069874.db2.gz HQZJALFJPZKHMM-ZDUSSCGKSA-N 2 1 285.388 -0.454 20 0 CBADMP CCOC[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000530231425 374069877 /nfs/dbraw/zinc/06/98/77/374069877.db2.gz HQZJALFJPZKHMM-ZDUSSCGKSA-N 2 1 285.388 -0.454 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000531054009 374113818 /nfs/dbraw/zinc/11/38/18/374113818.db2.gz MMORZXUXUXZYPC-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000531054009 374113829 /nfs/dbraw/zinc/11/38/29/374113829.db2.gz MMORZXUXUXZYPC-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000531054009 374113837 /nfs/dbraw/zinc/11/38/37/374113837.db2.gz MMORZXUXUXZYPC-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000531054009 374113845 /nfs/dbraw/zinc/11/38/45/374113845.db2.gz MMORZXUXUXZYPC-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000531054008 374114735 /nfs/dbraw/zinc/11/47/35/374114735.db2.gz MMORZXUXUXZYPC-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000531054008 374114744 /nfs/dbraw/zinc/11/47/44/374114744.db2.gz MMORZXUXUXZYPC-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000531054008 374114755 /nfs/dbraw/zinc/11/47/55/374114755.db2.gz MMORZXUXUXZYPC-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000531054008 374114765 /nfs/dbraw/zinc/11/47/65/374114765.db2.gz MMORZXUXUXZYPC-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000532128734 374160142 /nfs/dbraw/zinc/16/01/42/374160142.db2.gz ZZBCMEOKRMTWNI-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000532128734 374160146 /nfs/dbraw/zinc/16/01/46/374160146.db2.gz ZZBCMEOKRMTWNI-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCO ZINC000548313336 374193159 /nfs/dbraw/zinc/19/31/59/374193159.db2.gz FETNUSXSIUVVIA-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCO ZINC000548313336 374193165 /nfs/dbraw/zinc/19/31/65/374193165.db2.gz FETNUSXSIUVVIA-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CCO ZINC000548313336 374193171 /nfs/dbraw/zinc/19/31/71/374193171.db2.gz FETNUSXSIUVVIA-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CCO ZINC000548313336 374193177 /nfs/dbraw/zinc/19/31/77/374193177.db2.gz FETNUSXSIUVVIA-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCO ZINC000548313336 374193182 /nfs/dbraw/zinc/19/31/82/374193182.db2.gz FETNUSXSIUVVIA-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CO)C2CCOCC2)CC1 ZINC000548914234 374222632 /nfs/dbraw/zinc/22/26/32/374222632.db2.gz BXAMIOUZGOTYJC-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1CCNC(=O)[C@@H]1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000554946417 374285191 /nfs/dbraw/zinc/28/51/91/374285191.db2.gz JDWJDBGZQYKUKM-YUSALJHKSA-N 2 1 255.362 -0.444 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000571658934 374336005 /nfs/dbraw/zinc/33/60/05/374336005.db2.gz XJWQUXCLWKGXEE-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000584478412 374374561 /nfs/dbraw/zinc/37/45/61/374374561.db2.gz RJOLEOLFPYXGRF-UPJWGTAASA-N 2 1 260.378 -0.324 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000584478412 374374567 /nfs/dbraw/zinc/37/45/67/374374567.db2.gz RJOLEOLFPYXGRF-UPJWGTAASA-N 2 1 260.378 -0.324 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC[C@@H]21 ZINC000584470993 374374616 /nfs/dbraw/zinc/37/46/16/374374616.db2.gz SERKJCKZHUJQAI-RVMXOQNASA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC000583762167 374366712 /nfs/dbraw/zinc/36/67/12/374366712.db2.gz MFMBVXZLMMGTNQ-RYUDHWBXSA-N 2 1 269.389 -0.148 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])C[C@@H]21 ZINC000577947009 374346622 /nfs/dbraw/zinc/34/66/22/374346622.db2.gz XURWOKMRMPBMKI-AGIUHOORSA-N 2 1 294.399 -0.511 20 0 CBADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)N(C)CC(=O)OC)C1 ZINC000577953374 374346980 /nfs/dbraw/zinc/34/69/80/374346980.db2.gz LEMCQAATLKBRPU-LBPRGKRZSA-N 2 1 285.388 -0.061 20 0 CBADMP C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000578051314 374350628 /nfs/dbraw/zinc/35/06/28/374350628.db2.gz MDHAVEFYLSMQSO-JQWIXIFHSA-N 2 1 270.377 -0.243 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCOC3)[C@@H]2C1 ZINC000643794222 374422317 /nfs/dbraw/zinc/42/23/17/374422317.db2.gz LXTKIYZONQWVEL-FRRDWIJNSA-N 2 1 267.373 -0.225 20 0 CBADMP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[NH2+]C[C@H]1C(F)F ZINC000644124480 374490845 /nfs/dbraw/zinc/49/08/45/374490845.db2.gz MYHXULBTHKQMPA-UWVGGRQHSA-N 2 1 277.315 -0.180 20 0 CBADMP CC[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000644539498 374590770 /nfs/dbraw/zinc/59/07/70/374590770.db2.gz TTWXZYSGTGNPRR-NWDGAFQWSA-N 2 1 257.378 -0.066 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000644543655 374593221 /nfs/dbraw/zinc/59/32/21/374593221.db2.gz GYHQDYDJHUUCTB-WYUUTHIRSA-N 2 1 253.346 -0.426 20 0 CBADMP CCNC(=O)N1CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000644595249 374600936 /nfs/dbraw/zinc/60/09/36/374600936.db2.gz IZZJOLBSQAMZLL-YPMHNXCESA-N 2 1 284.404 -0.165 20 0 CBADMP CCNC(=O)N1CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644595249 374600940 /nfs/dbraw/zinc/60/09/40/374600940.db2.gz IZZJOLBSQAMZLL-YPMHNXCESA-N 2 1 284.404 -0.165 20 0 CBADMP CCNC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000644595246 374601258 /nfs/dbraw/zinc/60/12/58/374601258.db2.gz IZZJOLBSQAMZLL-DGCLKSJQSA-N 2 1 284.404 -0.165 20 0 CBADMP CCNC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644595246 374601265 /nfs/dbraw/zinc/60/12/65/374601265.db2.gz IZZJOLBSQAMZLL-DGCLKSJQSA-N 2 1 284.404 -0.165 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000645685042 374692524 /nfs/dbraw/zinc/69/25/24/374692524.db2.gz RJOPFPOOMSQYQN-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)COCC[NH3+])CC1 ZINC000646190300 374752926 /nfs/dbraw/zinc/75/29/26/374752926.db2.gz LCVGSXSNOBMWTC-ZDUSSCGKSA-N 2 1 286.420 -0.649 20 0 CBADMP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000646208008 374755404 /nfs/dbraw/zinc/75/54/04/374755404.db2.gz PHUDZXJBDZYGDD-PWSUYJOCSA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)COCC[NH3+])CC1 ZINC000645950418 374717981 /nfs/dbraw/zinc/71/79/81/374717981.db2.gz PGHZDJBMUBKLIP-AWEZNQCLSA-N 2 1 298.431 -0.410 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)CC[NH3+])C2)CC1 ZINC000645978016 374721486 /nfs/dbraw/zinc/72/14/86/374721486.db2.gz QTBWPHKZIQLKKB-NSHDSACASA-N 2 1 254.378 -0.380 20 0 CBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)CC[NH3+])C2)CC1 ZINC000645978016 374721493 /nfs/dbraw/zinc/72/14/93/374721493.db2.gz QTBWPHKZIQLKKB-NSHDSACASA-N 2 1 254.378 -0.380 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000646003212 374724482 /nfs/dbraw/zinc/72/44/82/374724482.db2.gz WMWYLRVVLIOESH-KGLIPLIRSA-N 2 1 298.431 -0.411 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3(C)C[NH2+]C3)CC2)C1 ZINC000646003172 374725507 /nfs/dbraw/zinc/72/55/07/374725507.db2.gz VJBCJPLTQABADF-CYBMUJFWSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H](C)[NH3+] ZINC000646009358 374727140 /nfs/dbraw/zinc/72/71/40/374727140.db2.gz DXNQQVNRCCRSIR-RDBSUJKOSA-N 2 1 298.431 -0.508 20 0 CBADMP CC(C)([NH3+])CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009328 374727555 /nfs/dbraw/zinc/72/75/55/374727555.db2.gz BAKOZKTURDWBPX-ZDUSSCGKSA-N 2 1 298.431 -0.364 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000646077551 374739359 /nfs/dbraw/zinc/73/93/59/374739359.db2.gz WTKZZIXMQNCYNR-NOOOWODRSA-N 2 1 255.362 -0.038 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCO3)[C@H]2C1 ZINC000646297699 374768604 /nfs/dbraw/zinc/76/86/04/374768604.db2.gz ZLDXBPAYSJFYPM-WOPDTQHZSA-N 2 1 253.346 -0.473 20 0 CBADMP C[C@]1(C(=O)NCC[N@H+]2CCCOCC2)CC[NH2+]C1 ZINC000646503561 374782894 /nfs/dbraw/zinc/78/28/94/374782894.db2.gz KUFXEMFQUHNMFD-ZDUSSCGKSA-N 2 1 255.362 -0.176 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CO1 ZINC000647179878 374890342 /nfs/dbraw/zinc/89/03/42/374890342.db2.gz UPFJATFKOUGFQU-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CO1 ZINC000647179881 374890511 /nfs/dbraw/zinc/89/05/11/374890511.db2.gz UPFJATFKOUGFQU-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)[C@@H]2C1 ZINC000646918526 374841770 /nfs/dbraw/zinc/84/17/70/374841770.db2.gz YIOFQLCOINWEDO-BFHYXJOUSA-N 2 1 278.400 -0.461 20 0 CBADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)[C@@H]2C1 ZINC000646918526 374841772 /nfs/dbraw/zinc/84/17/72/374841772.db2.gz YIOFQLCOINWEDO-BFHYXJOUSA-N 2 1 278.400 -0.461 20 0 CBADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)[C@@H]2C1 ZINC000646918526 374841774 /nfs/dbraw/zinc/84/17/74/374841774.db2.gz YIOFQLCOINWEDO-BFHYXJOUSA-N 2 1 278.400 -0.461 20 0 CBADMP CC[NH+]1CCN(CC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000646917852 374842030 /nfs/dbraw/zinc/84/20/30/374842030.db2.gz ITTREFAHDGBQML-ZIAGYGMSSA-N 2 1 280.416 -0.214 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000574569736 335030379 /nfs/dbraw/zinc/03/03/79/335030379.db2.gz ZVNIFKQMBDFPKH-JBLDHEPKSA-N 2 1 258.366 -0.522 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000574573103 335030792 /nfs/dbraw/zinc/03/07/92/335030792.db2.gz QJVZFZWHNJUBLS-NWDGAFQWSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)N1CCNCC1 ZINC000574573103 335030793 /nfs/dbraw/zinc/03/07/93/335030793.db2.gz QJVZFZWHNJUBLS-NWDGAFQWSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)N1CCNCC1 ZINC000574573103 335030794 /nfs/dbraw/zinc/03/07/94/335030794.db2.gz QJVZFZWHNJUBLS-NWDGAFQWSA-N 2 1 254.378 -0.523 20 0 CBADMP C[NH2+][C@H](C(=O)NCC[N@H+](C)C1CC1)c1cnn(C)c1 ZINC000262336435 190053426 /nfs/dbraw/zinc/05/34/26/190053426.db2.gz HJPSEGAGHRLMJG-LBPRGKRZSA-N 2 1 265.361 -0.109 20 0 CBADMP C[NH2+][C@H](C(=O)NCC[N@@H+](C)C1CC1)c1cnn(C)c1 ZINC000262336435 190053427 /nfs/dbraw/zinc/05/34/27/190053427.db2.gz HJPSEGAGHRLMJG-LBPRGKRZSA-N 2 1 265.361 -0.109 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)C1 ZINC000356399504 248244020 /nfs/dbraw/zinc/24/40/20/248244020.db2.gz ZSUYQWABYXPAFM-SRVKXCTJSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)C1 ZINC000356399504 248244023 /nfs/dbraw/zinc/24/40/23/248244023.db2.gz ZSUYQWABYXPAFM-SRVKXCTJSA-N 2 1 255.362 -0.084 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357065292 248317553 /nfs/dbraw/zinc/31/75/53/248317553.db2.gz ADNGHOWAZCOAPA-WDEREUQCSA-N 2 1 261.391 -0.533 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357065292 248317556 /nfs/dbraw/zinc/31/75/56/248317556.db2.gz ADNGHOWAZCOAPA-WDEREUQCSA-N 2 1 261.391 -0.533 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000357243078 248336983 /nfs/dbraw/zinc/33/69/83/248336983.db2.gz PYLFDCUVCVZTLT-RYUDHWBXSA-N 2 1 271.361 -0.798 20 0 CBADMP CC(C)[C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000357194377 248331872 /nfs/dbraw/zinc/33/18/72/248331872.db2.gz WDMQASBGNJKNNT-KGLIPLIRSA-N 2 1 299.415 -0.162 20 0 CBADMP CC(C)[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000357194375 248332115 /nfs/dbraw/zinc/33/21/15/248332115.db2.gz WDMQASBGNJKNNT-KBPBESRZSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000357250294 248339070 /nfs/dbraw/zinc/33/90/70/248339070.db2.gz UAYXKZZMCMEXAW-WZRBSPASSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000357250277 248340923 /nfs/dbraw/zinc/34/09/23/248340923.db2.gz UAYXKZZMCMEXAW-MDZLAQPJSA-N 2 1 267.373 -0.036 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(COC)CCC[NH2+]2)C1 ZINC000357268909 248342545 /nfs/dbraw/zinc/34/25/45/248342545.db2.gz HHPRQKNHCKQUPJ-OCCSQVGLSA-N 2 1 285.388 -0.408 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@]2(COC)CCC[NH2+]2)C1 ZINC000357268909 248342550 /nfs/dbraw/zinc/34/25/50/248342550.db2.gz HHPRQKNHCKQUPJ-OCCSQVGLSA-N 2 1 285.388 -0.408 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000357723723 248398335 /nfs/dbraw/zinc/39/83/35/248398335.db2.gz ATOUYMSWVYODGG-CQSZACIVSA-N 2 1 284.404 -0.162 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000358139389 248454846 /nfs/dbraw/zinc/45/48/46/248454846.db2.gz RNKKZJGMCUTBJO-CHWSQXEVSA-N 2 1 284.404 -0.802 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000357107554 295234970 /nfs/dbraw/zinc/23/49/70/295234970.db2.gz RWUFWKCXFKQDRM-ZDUSSCGKSA-N 2 1 257.378 -0.242 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000574661209 335038203 /nfs/dbraw/zinc/03/82/03/335038203.db2.gz OZAHFCWKFSLBAL-WCQYABFASA-N 2 1 257.378 -0.243 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000574680996 335039119 /nfs/dbraw/zinc/03/91/19/335039119.db2.gz WPKQHVCGTASUHM-OLZOCXBDSA-N 2 1 283.420 -0.374 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC(C)(C)[NH3+])CC1 ZINC000346979701 218076941 /nfs/dbraw/zinc/07/69/41/218076941.db2.gz LQKGXTMBOCICJC-GFCCVEGCSA-N 2 1 268.405 -0.038 20 0 CBADMP C[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@@H]1[NH3+] ZINC000347057382 218107595 /nfs/dbraw/zinc/10/75/95/218107595.db2.gz VYUDCKMYQNKYSP-ONGXEEELSA-N 2 1 266.345 -0.747 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCOCC1 ZINC000353694334 220262393 /nfs/dbraw/zinc/26/23/93/220262393.db2.gz CYEUILZJSDCNKO-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCOCC1 ZINC000353694334 220262396 /nfs/dbraw/zinc/26/23/96/220262396.db2.gz CYEUILZJSDCNKO-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000353694334 220262398 /nfs/dbraw/zinc/26/23/98/220262398.db2.gz CYEUILZJSDCNKO-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000353694334 220262399 /nfs/dbraw/zinc/26/23/99/220262399.db2.gz CYEUILZJSDCNKO-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CCC[N@H+]1C ZINC000347767402 218349898 /nfs/dbraw/zinc/34/98/98/218349898.db2.gz UTOCKTPUKKLIFT-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000347797415 218361945 /nfs/dbraw/zinc/36/19/45/218361945.db2.gz ZGBAYUJZJROPBD-ZDUSSCGKSA-N 2 1 287.404 -0.615 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000353711554 220272062 /nfs/dbraw/zinc/27/20/62/220272062.db2.gz PRLPOFAQPGOSMV-RYUDHWBXSA-N 2 1 282.388 -0.477 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000353711556 220273622 /nfs/dbraw/zinc/27/36/22/220273622.db2.gz PRLPOFAQPGOSMV-VXGBXAGGSA-N 2 1 282.388 -0.477 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000574754760 335044778 /nfs/dbraw/zinc/04/47/78/335044778.db2.gz KOXRYROTHDZONF-LLVKDONJSA-N 2 1 269.345 -0.355 20 0 CBADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)NC(N)=O)CC[N@@H+]1C ZINC000123985964 207370952 /nfs/dbraw/zinc/37/09/52/207370952.db2.gz CMHXXQOECAUJGD-UWVGGRQHSA-N 2 1 256.350 -0.014 20 0 CBADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)NC(N)=O)CC[N@H+]1C ZINC000123985964 207370955 /nfs/dbraw/zinc/37/09/55/207370955.db2.gz CMHXXQOECAUJGD-UWVGGRQHSA-N 2 1 256.350 -0.014 20 0 CBADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)NC(N)=O)CC[NH+]1C ZINC000123985964 207370960 /nfs/dbraw/zinc/37/09/60/207370960.db2.gz CMHXXQOECAUJGD-UWVGGRQHSA-N 2 1 256.350 -0.014 20 0 CBADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)NC(N)=O)CC[NH+]1C ZINC000123985964 207370964 /nfs/dbraw/zinc/37/09/64/207370964.db2.gz CMHXXQOECAUJGD-UWVGGRQHSA-N 2 1 256.350 -0.014 20 0 CBADMP C[N@H+](CCN1C(=O)CNC1=O)C[C@H]1CCC[NH+](C)C1 ZINC000152390423 207379976 /nfs/dbraw/zinc/37/99/76/207379976.db2.gz XFLHPMNAMSJLHB-NSHDSACASA-N 2 1 268.361 -0.188 20 0 CBADMP C[N@@H+](CCN1C(=O)CNC1=O)C[C@H]1CCC[NH+](C)C1 ZINC000152390423 207379982 /nfs/dbraw/zinc/37/99/82/207379982.db2.gz XFLHPMNAMSJLHB-NSHDSACASA-N 2 1 268.361 -0.188 20 0 CBADMP C[NH+](CCN1C(=O)CNC1=O)C[C@H]1CCC[N@H+](C)C1 ZINC000152390423 207379986 /nfs/dbraw/zinc/37/99/86/207379986.db2.gz XFLHPMNAMSJLHB-NSHDSACASA-N 2 1 268.361 -0.188 20 0 CBADMP C[NH+](CCN1C(=O)CNC1=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000152390423 207379993 /nfs/dbraw/zinc/37/99/93/207379993.db2.gz XFLHPMNAMSJLHB-NSHDSACASA-N 2 1 268.361 -0.188 20 0 CBADMP CC[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000163369238 207396176 /nfs/dbraw/zinc/39/61/76/207396176.db2.gz RPFNDLZKUFTMAX-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000164470719 207398578 /nfs/dbraw/zinc/39/85/78/207398578.db2.gz PHSZVBHBWUWDOR-CYBMUJFWSA-N 2 1 285.388 -0.454 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000515618945 285022081 /nfs/dbraw/zinc/02/20/81/285022081.db2.gz AAFXDRCDURVJGJ-VXGBXAGGSA-N 2 1 270.377 -0.160 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000342719939 532985516 /nfs/dbraw/zinc/98/55/16/532985516.db2.gz YHPJWPHQBMHZJX-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C[C@H](C[NH3+])OC ZINC000262823022 285031961 /nfs/dbraw/zinc/03/19/61/285031961.db2.gz GZZHSGBVDVILDM-NWDGAFQWSA-N 2 1 273.377 -0.423 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423380275 285037382 /nfs/dbraw/zinc/03/73/82/285037382.db2.gz NPXFPLFVNWZJLD-DYEKYZERSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCOCC1 ZINC000428038837 208077282 /nfs/dbraw/zinc/07/72/82/208077282.db2.gz ZNOLXHVXYDJCDC-QWHCGFSZSA-N 2 1 267.373 -0.081 20 0 CBADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCOCC1 ZINC000428038837 208077289 /nfs/dbraw/zinc/07/72/89/208077289.db2.gz ZNOLXHVXYDJCDC-QWHCGFSZSA-N 2 1 267.373 -0.081 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000428503755 208089992 /nfs/dbraw/zinc/08/99/92/208089992.db2.gz PVEWMFGVZWCYNP-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000430555331 208165063 /nfs/dbraw/zinc/16/50/63/208165063.db2.gz OXRKDAWRUWFRIH-CYBMUJFWSA-N 2 1 268.361 -0.453 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)COC2C[NH2+]C2)n1C ZINC000430729158 208175038 /nfs/dbraw/zinc/17/50/38/208175038.db2.gz FRAGIIJFQCLMAT-UHFFFAOYSA-N 2 1 267.333 -0.909 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000430556683 208166184 /nfs/dbraw/zinc/16/61/84/208166184.db2.gz ZFOUIZVXBQZJDM-GFCCVEGCSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000430556683 208166188 /nfs/dbraw/zinc/16/61/88/208166188.db2.gz ZFOUIZVXBQZJDM-GFCCVEGCSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000430618833 208167911 /nfs/dbraw/zinc/16/79/11/208167911.db2.gz XIPVAAKUSIATQU-GXTWGEPZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000430618833 208167916 /nfs/dbraw/zinc/16/79/16/208167916.db2.gz XIPVAAKUSIATQU-GXTWGEPZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000430618835 208168287 /nfs/dbraw/zinc/16/82/87/208168287.db2.gz XIPVAAKUSIATQU-OCCSQVGLSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000430618835 208168291 /nfs/dbraw/zinc/16/82/91/208168291.db2.gz XIPVAAKUSIATQU-OCCSQVGLSA-N 2 1 296.415 -0.264 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000430622078 208169047 /nfs/dbraw/zinc/16/90/47/208169047.db2.gz DMQCSQWMOUIJQV-SNVBAGLBSA-N 2 1 252.318 -0.039 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000430622078 208169051 /nfs/dbraw/zinc/16/90/51/208169051.db2.gz DMQCSQWMOUIJQV-SNVBAGLBSA-N 2 1 252.318 -0.039 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430695811 208171070 /nfs/dbraw/zinc/17/10/70/208171070.db2.gz AHFAMLAYAHZUPG-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP O=C(COC1C[NH2+]C1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000430673482 208172728 /nfs/dbraw/zinc/17/27/28/208172728.db2.gz CYAFUPLPVQTLTK-NEPJUHHUSA-N 2 1 253.346 -0.282 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000430683925 208172928 /nfs/dbraw/zinc/17/29/28/208172928.db2.gz LLOKIKYFBNBXCM-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000430710415 208173333 /nfs/dbraw/zinc/17/33/33/208173333.db2.gz AMZOCTDKQGEPDD-CHWSQXEVSA-N 2 1 285.388 -0.408 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000430724351 208176356 /nfs/dbraw/zinc/17/63/56/208176356.db2.gz VGEVMCNSCYBNEG-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000430717231 208176656 /nfs/dbraw/zinc/17/66/56/208176656.db2.gz YHZHBIZRNQZHLN-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[NH2+]CC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000178867450 285076468 /nfs/dbraw/zinc/07/64/68/285076468.db2.gz MSWFDDKMJSKANP-MNOVXSKESA-N 2 1 255.362 -0.036 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000430794315 208180646 /nfs/dbraw/zinc/18/06/46/208180646.db2.gz POHFUHZEZNTRSY-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH2+]CCCC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000430784099 208182104 /nfs/dbraw/zinc/18/21/04/208182104.db2.gz AEGSLZFBDDZIPT-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CC(C)OCC[NH+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000430791567 208182242 /nfs/dbraw/zinc/18/22/42/208182242.db2.gz NBJSEFXGRFLBBL-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH2+]CC(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000430794403 208182892 /nfs/dbraw/zinc/18/28/92/208182892.db2.gz AIUSQPFIHJDSFW-UHFFFAOYSA-N 2 1 278.360 -0.589 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000430803253 208184844 /nfs/dbraw/zinc/18/48/44/208184844.db2.gz ROKJEMBHFKGGRR-LBPRGKRZSA-N 2 1 282.388 -0.782 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000430882888 208187080 /nfs/dbraw/zinc/18/70/80/208187080.db2.gz AMQDAQDCVXHRCZ-CHWSQXEVSA-N 2 1 296.415 -0.168 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1(C[NH3+])CCCC1 ZINC000430890082 208187993 /nfs/dbraw/zinc/18/79/93/208187993.db2.gz OYLURSJKTQKZFN-LBPRGKRZSA-N 2 1 296.415 -0.039 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430891754 208188401 /nfs/dbraw/zinc/18/84/01/208188401.db2.gz WZVJEGFBPVXTEU-NWDGAFQWSA-N 2 1 284.404 -0.455 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[NH3+] ZINC000430877083 208188459 /nfs/dbraw/zinc/18/84/59/208188459.db2.gz IONDKRYXXYANOP-JTQLQIEISA-N 2 1 256.350 -0.996 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430905117 208189208 /nfs/dbraw/zinc/18/92/08/208189208.db2.gz WTRGCUGZXPEUPC-STQMWFEESA-N 2 1 285.388 -0.408 20 0 CBADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430947344 208193903 /nfs/dbraw/zinc/19/39/03/208193903.db2.gz DIIIEGUSLQOWDY-GRYCIOLGSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430947344 208193908 /nfs/dbraw/zinc/19/39/08/208193908.db2.gz DIIIEGUSLQOWDY-GRYCIOLGSA-N 2 1 255.362 -0.049 20 0 CBADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000430957844 208194159 /nfs/dbraw/zinc/19/41/59/208194159.db2.gz VENDSEWLYLPFJA-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP C[NH2+]CC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000431059379 208201512 /nfs/dbraw/zinc/20/15/12/208201512.db2.gz CAICYWIZKPZIKY-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1C[N@H+](CCCNC(=O)[C@H]2C[NH+](C)CCO2)CCCO1 ZINC000432549308 208228507 /nfs/dbraw/zinc/22/85/07/208228507.db2.gz JEZLQMGWQKWMRU-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H]1C[N@@H+](CCCNC(=O)[C@H]2C[NH+](C)CCO2)CCCO1 ZINC000432549308 208228515 /nfs/dbraw/zinc/22/85/15/208228515.db2.gz JEZLQMGWQKWMRU-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H]1C[NH+](CCCNC(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC000432549308 208228523 /nfs/dbraw/zinc/22/85/23/208228523.db2.gz JEZLQMGWQKWMRU-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H]1C[NH+](CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC000432549308 208228530 /nfs/dbraw/zinc/22/85/30/208228530.db2.gz JEZLQMGWQKWMRU-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000433396351 208245146 /nfs/dbraw/zinc/24/51/46/208245146.db2.gz WEQJTZIIMNGDMY-GFCCVEGCSA-N 2 1 292.387 -0.020 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433395901 208245556 /nfs/dbraw/zinc/24/55/56/208245556.db2.gz ULTQGOWYEIGGLN-NWDGAFQWSA-N 2 1 292.387 -0.021 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433395901 208245561 /nfs/dbraw/zinc/24/55/61/208245561.db2.gz ULTQGOWYEIGGLN-NWDGAFQWSA-N 2 1 292.387 -0.021 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC000438523918 208310465 /nfs/dbraw/zinc/31/04/65/208310465.db2.gz PSOBZSRNWZDVEJ-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC000438523918 208310472 /nfs/dbraw/zinc/31/04/72/208310472.db2.gz PSOBZSRNWZDVEJ-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+](CC(=O)NCCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000442710043 208361301 /nfs/dbraw/zinc/36/13/01/208361301.db2.gz PHPLRNMFNMVXLR-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@@H+](CC(=O)NCCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000442710043 208361307 /nfs/dbraw/zinc/36/13/07/208361307.db2.gz PHPLRNMFNMVXLR-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000442757398 208365070 /nfs/dbraw/zinc/36/50/70/208365070.db2.gz GQQZGSITUCUOLP-MBNYWOFBSA-N 2 1 296.415 -0.265 20 0 CBADMP Cn1nncc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441367670 208350222 /nfs/dbraw/zinc/35/02/22/208350222.db2.gz IMBOEXYDMZBXOR-UHFFFAOYSA-N 2 1 266.393 -0.069 20 0 CBADMP CC[N@H+](CCC[NH+](C)C)Cc1cn(C)c(=O)n(C)c1=O ZINC000289187996 197258123 /nfs/dbraw/zinc/25/81/23/197258123.db2.gz BCKBAMRNOHWVFZ-UHFFFAOYSA-N 2 1 282.388 -0.142 20 0 CBADMP CC[N@@H+](CCC[NH+](C)C)Cc1cn(C)c(=O)n(C)c1=O ZINC000289187996 197258125 /nfs/dbraw/zinc/25/81/25/197258125.db2.gz BCKBAMRNOHWVFZ-UHFFFAOYSA-N 2 1 282.388 -0.142 20 0 CBADMP COCC[C@]1(C(=O)NCCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000370768128 285183051 /nfs/dbraw/zinc/18/30/51/285183051.db2.gz YIQWUUGGGTWDEG-OAHLLOKOSA-N 2 1 299.415 -0.159 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419576784 285202734 /nfs/dbraw/zinc/20/27/34/285202734.db2.gz CHEVZSIFOQPHFU-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC(=O)NC ZINC000355976446 285242988 /nfs/dbraw/zinc/24/29/88/285242988.db2.gz AODSKXUNYVSGEZ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)C[NH3+])CC1=O ZINC000347659304 285254119 /nfs/dbraw/zinc/25/41/19/285254119.db2.gz UVXSUNUSQHYTGD-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@H](C)C[NH3+])CC1=O ZINC000470478330 285284998 /nfs/dbraw/zinc/28/49/98/285284998.db2.gz UVXSUNUSQHYTGD-UPJWGTAASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000655159633 413029082 /nfs/dbraw/zinc/02/90/82/413029082.db2.gz JTRBMXIRMNTOQJ-QWHCGFSZSA-N 2 1 296.415 -0.093 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)CC[NH3+])CC1 ZINC000431025065 285317946 /nfs/dbraw/zinc/31/79/46/285317946.db2.gz XIZAESOXPQWKJY-LBPRGKRZSA-N 2 1 256.394 -0.275 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H](C[NH3+])OC)CC1 ZINC000353511748 285318690 /nfs/dbraw/zinc/31/86/90/285318690.db2.gz KHZKBZJNKPISAT-STQMWFEESA-N 2 1 286.420 -0.650 20 0 CBADMP COC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220875187 285384029 /nfs/dbraw/zinc/38/40/29/285384029.db2.gz DSJYMMLNBUEAAN-SRVKXCTJSA-N 2 1 255.362 -0.097 20 0 CBADMP COC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000367534797 285384635 /nfs/dbraw/zinc/38/46/35/285384635.db2.gz YLQAJTDSGRLJJG-RNJOBUHISA-N 2 1 267.373 -0.097 20 0 CBADMP COC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000367534795 285384800 /nfs/dbraw/zinc/38/48/00/285384800.db2.gz YLQAJTDSGRLJJG-CYDGBPFRSA-N 2 1 267.373 -0.097 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000377571214 285595215 /nfs/dbraw/zinc/59/52/15/285595215.db2.gz IYIXMPANLYKECN-SFYZADRCSA-N 2 1 251.277 -0.584 20 0 CBADMP Cn1ccnc1CN1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000575124120 335069587 /nfs/dbraw/zinc/06/95/87/335069587.db2.gz OUJJMXADIPQGDJ-UHFFFAOYSA-N 2 1 292.431 -0.557 20 0 CBADMP O=C([C@@H]1CCCC[NH2+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186720367 304318289 /nfs/dbraw/zinc/31/82/89/304318289.db2.gz NPFZZLCTYMZJIF-OLZOCXBDSA-N 2 1 294.399 -0.449 20 0 CBADMP COC1(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000166599002 292094369 /nfs/dbraw/zinc/09/43/69/292094369.db2.gz LIXZEVVHEMLFQE-ZDUSSCGKSA-N 2 1 299.415 -0.161 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417755674 292337116 /nfs/dbraw/zinc/33/71/16/292337116.db2.gz QYNNMGPXBHPKLL-NSHDSACASA-N 2 1 260.382 -0.009 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417760045 292337325 /nfs/dbraw/zinc/33/73/25/292337325.db2.gz XDKYOOPHYNLPPY-QWRGUYRKSA-N 2 1 260.382 -0.010 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000262036729 304455891 /nfs/dbraw/zinc/45/58/91/304455891.db2.gz SVRMSPQHVSIIBK-QWHCGFSZSA-N 2 1 276.340 -0.457 20 0 CBADMP CN(C(=O)CC[NH3+])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901342 414060232 /nfs/dbraw/zinc/06/02/32/414060232.db2.gz VOUNVZDXUSPTTH-CYBMUJFWSA-N 2 1 268.405 -0.038 20 0 CBADMP CN(C(=O)CC[NH3+])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901342 414060239 /nfs/dbraw/zinc/06/02/39/414060239.db2.gz VOUNVZDXUSPTTH-CYBMUJFWSA-N 2 1 268.405 -0.038 20 0 CBADMP C[C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)C[NH+]1CCCCC1 ZINC000038042320 174045486 /nfs/dbraw/zinc/04/54/86/174045486.db2.gz METGZMXFLIJFEL-WDEREUQCSA-N 2 1 270.377 -0.573 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000040636021 174361440 /nfs/dbraw/zinc/36/14/40/174361440.db2.gz IOAZRAOBAQGUQS-QWHCGFSZSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351541008 287349489 /nfs/dbraw/zinc/34/94/89/287349489.db2.gz PAJYJBXDJROKBG-OLZOCXBDSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCOC)C2)C1 ZINC000073439136 544423715 /nfs/dbraw/zinc/42/37/15/544423715.db2.gz SLWMYVNOGHEFMU-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCOC)C2)C1 ZINC000073439136 544423719 /nfs/dbraw/zinc/42/37/19/544423719.db2.gz SLWMYVNOGHEFMU-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](CCOC)C2)C1 ZINC000073439136 544423723 /nfs/dbraw/zinc/42/37/23/544423723.db2.gz SLWMYVNOGHEFMU-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCOC)C2)C1 ZINC000073439136 544423727 /nfs/dbraw/zinc/42/37/27/544423727.db2.gz SLWMYVNOGHEFMU-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000089698358 544435966 /nfs/dbraw/zinc/43/59/66/544435966.db2.gz RQSPLUHOFSFKCT-UHFFFAOYSA-N 2 1 252.322 -0.986 20 0 CBADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000092955649 544440521 /nfs/dbraw/zinc/44/05/21/544440521.db2.gz GTEJOTJXJKMDJJ-CHWSQXEVSA-N 2 1 268.405 -0.262 20 0 CBADMP [NH3+]CCOCC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000093231317 544443067 /nfs/dbraw/zinc/44/30/67/544443067.db2.gz MAQURRUEFZIKEL-LBPRGKRZSA-N 2 1 271.361 -0.715 20 0 CBADMP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000094442491 544444203 /nfs/dbraw/zinc/44/42/03/544444203.db2.gz AGGXFFKBBLKXCU-ZDUSSCGKSA-N 2 1 294.399 -0.495 20 0 CBADMP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000094442491 544444208 /nfs/dbraw/zinc/44/42/08/544444208.db2.gz AGGXFFKBBLKXCU-ZDUSSCGKSA-N 2 1 294.399 -0.495 20 0 CBADMP CC1(OCC(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[NH2+]C1 ZINC000098061721 544447046 /nfs/dbraw/zinc/44/70/46/544447046.db2.gz IUOBBOLKZMLANT-JTQLQIEISA-N 2 1 253.346 -0.282 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)COCC[NH3+])CC[C@H]21 ZINC000227334084 544494428 /nfs/dbraw/zinc/49/44/28/544494428.db2.gz XYPSQKZXBJHBHO-NWDGAFQWSA-N 2 1 255.362 -0.096 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)COCC[NH3+])CC[C@H]21 ZINC000227334079 544494692 /nfs/dbraw/zinc/49/46/92/544494692.db2.gz XYPSQKZXBJHBHO-VXGBXAGGSA-N 2 1 255.362 -0.096 20 0 CBADMP C[NH+]1CCN(C(=O)CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000157972468 544473284 /nfs/dbraw/zinc/47/32/84/544473284.db2.gz ZOYDAKCJYGVFOE-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCN(C(=O)CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000157972468 544473288 /nfs/dbraw/zinc/47/32/88/544473288.db2.gz ZOYDAKCJYGVFOE-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000232115386 544501544 /nfs/dbraw/zinc/50/15/44/544501544.db2.gz RGEAUFYFVUIBMK-QWHCGFSZSA-N 2 1 285.388 -0.327 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCC[NH2+]C2CC2)CC1 ZINC000236874253 544508693 /nfs/dbraw/zinc/50/86/93/544508693.db2.gz UFGBAOXDWDRAMV-UHFFFAOYSA-N 2 1 268.405 -0.118 20 0 CBADMP CC[C@H]1C[N@H+](CC(=O)N2CCN(C(C)=O)CC2)CC[C@H]1[NH3+] ZINC000251681819 544514824 /nfs/dbraw/zinc/51/48/24/544514824.db2.gz HZDCWDPDWCJKJW-UONOGXRCSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@H]1C[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)CC[C@H]1[NH3+] ZINC000251681819 544514828 /nfs/dbraw/zinc/51/48/28/544514828.db2.gz HZDCWDPDWCJKJW-UONOGXRCSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(CO)CCOCC1 ZINC000310882871 544529930 /nfs/dbraw/zinc/52/99/30/544529930.db2.gz OAAGBTOQLTXSQW-LBPRGKRZSA-N 2 1 260.378 -0.181 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(CO)CCOCC1 ZINC000310882871 544529935 /nfs/dbraw/zinc/52/99/35/544529935.db2.gz OAAGBTOQLTXSQW-LBPRGKRZSA-N 2 1 260.378 -0.181 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322398056 544531015 /nfs/dbraw/zinc/53/10/15/544531015.db2.gz SXPLUAKLRZCQBJ-CMGMYYOESA-N 2 1 296.415 -0.173 20 0 CBADMP C[N@H+]1CC[C@]2(C1)CCCN(CC(=O)N1CCNC1=O)C2 ZINC000660653744 419420514 /nfs/dbraw/zinc/42/05/14/419420514.db2.gz VPNNATIEAWBWQW-AWEZNQCLSA-N 2 1 280.372 -0.044 20 0 CBADMP CN1CCN(C(=O)C[N@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000661715960 419522947 /nfs/dbraw/zinc/52/29/47/419522947.db2.gz QTFJLJNECGGEGO-WCQYABFASA-N 2 1 253.346 -0.783 20 0 CBADMP CN1CCN(C(=O)CN2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000661715960 419522952 /nfs/dbraw/zinc/52/29/52/419522952.db2.gz QTFJLJNECGGEGO-WCQYABFASA-N 2 1 253.346 -0.783 20 0 CBADMP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394370600 544578567 /nfs/dbraw/zinc/57/85/67/544578567.db2.gz CLXALWMEFATYLM-VXGBXAGGSA-N 2 1 268.405 -0.134 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000661826821 419532396 /nfs/dbraw/zinc/53/23/96/419532396.db2.gz KGTYWDFGCRFUOR-UPJWGTAASA-N 2 1 272.389 -0.181 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000661826821 419532398 /nfs/dbraw/zinc/53/23/98/419532398.db2.gz KGTYWDFGCRFUOR-UPJWGTAASA-N 2 1 272.389 -0.181 20 0 CBADMP Nc1cc(Cn2cc(CN3CC[NH2+]CC3)nn2)cc[nH+]1 ZINC000641068259 419547518 /nfs/dbraw/zinc/54/75/18/419547518.db2.gz MDUICHJXHSTOIQ-UHFFFAOYSA-N 2 1 273.344 -0.291 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394370643 544578736 /nfs/dbraw/zinc/57/87/36/544578736.db2.gz DHYRFSUFMQSAQR-NWDGAFQWSA-N 2 1 254.378 -0.652 20 0 CBADMP C[N@H+](CCc1nnn(C(C)(C)C)n1)CCN1CC[NH2+]CC1 ZINC000662244682 419556617 /nfs/dbraw/zinc/55/66/17/419556617.db2.gz FJMZHWSLGBEZOY-UHFFFAOYSA-N 2 1 295.435 -0.192 20 0 CBADMP CCC[N@H+](CC(=O)NC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253168 419560944 /nfs/dbraw/zinc/56/09/44/419560944.db2.gz RYAFXNPUOKOZJJ-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254252 419561932 /nfs/dbraw/zinc/56/19/32/419561932.db2.gz GLBUXZSAHOPLHB-WDEREUQCSA-N 2 1 289.401 -0.869 20 0 CBADMP CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254250 419563415 /nfs/dbraw/zinc/56/34/15/419563415.db2.gz GLBUXZSAHOPLHB-MNOVXSKESA-N 2 1 289.401 -0.869 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000220094007 419563940 /nfs/dbraw/zinc/56/39/40/419563940.db2.gz HSLLMLKKMMQICB-SNVBAGLBSA-N 2 1 268.365 -0.303 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000389613270 544577858 /nfs/dbraw/zinc/57/78/58/544577858.db2.gz YNRUBYQIPSTECZ-YPMHNXCESA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H]1CC[C@H](C[N@H+](C)CC(=O)N2CC[NH2+]CC2)O1 ZINC000129372360 419497653 /nfs/dbraw/zinc/49/76/53/419497653.db2.gz ORKKRAYMQCMGCZ-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1CC[C@H](C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)O1 ZINC000129372360 419497662 /nfs/dbraw/zinc/49/76/62/419497662.db2.gz ORKKRAYMQCMGCZ-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394370642 544579058 /nfs/dbraw/zinc/57/90/58/544579058.db2.gz DHYRFSUFMQSAQR-NEPJUHHUSA-N 2 1 254.378 -0.652 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H]1COCCO1 ZINC000661612270 419507557 /nfs/dbraw/zinc/50/75/57/419507557.db2.gz PMOVDCMQPHZODQ-CYBMUJFWSA-N 2 1 285.388 -0.502 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H]1COCCO1 ZINC000661612270 419507569 /nfs/dbraw/zinc/50/75/69/419507569.db2.gz PMOVDCMQPHZODQ-CYBMUJFWSA-N 2 1 285.388 -0.502 20 0 CBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394374198 544579097 /nfs/dbraw/zinc/57/90/97/544579097.db2.gz RXUHDJJUNFUHNP-XQQFMLRXSA-N 2 1 268.405 -0.134 20 0 CBADMP c1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc(N2CCOCC2)[nH+]1 ZINC000634810388 419511719 /nfs/dbraw/zinc/51/17/19/419511719.db2.gz WGANXUVHLBXFEX-IAZYJMLFSA-N 2 1 261.329 -0.057 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000381240303 544573617 /nfs/dbraw/zinc/57/36/17/544573617.db2.gz KGNBFWJNDXPSPY-JHJVBQTASA-N 2 1 260.378 -0.060 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000381240303 544573622 /nfs/dbraw/zinc/57/36/22/544573622.db2.gz KGNBFWJNDXPSPY-JHJVBQTASA-N 2 1 260.378 -0.060 20 0 CBADMP [NH3+][C@@H](CC(F)F)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394376553 544579516 /nfs/dbraw/zinc/57/95/16/544579516.db2.gz UBTJTQGDEDNRTC-UWVGGRQHSA-N 2 1 276.331 -0.525 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C[N@H+]1C1CC1 ZINC000662539653 419634953 /nfs/dbraw/zinc/63/49/53/419634953.db2.gz GWAOCUOFAWPTBB-VHSXEESVSA-N 2 1 278.360 -0.408 20 0 CBADMP C[NH2+]CCCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394378748 544579933 /nfs/dbraw/zinc/57/99/33/544579933.db2.gz BFRHDVXGCBRCTC-LBPRGKRZSA-N 2 1 254.378 -0.508 20 0 CBADMP [NH3+][C@@H]1CCO[C@H]1C1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662273282 419570472 /nfs/dbraw/zinc/57/04/72/419570472.db2.gz LCBINJGKOUXFRE-MCIONIFRSA-N 2 1 269.389 -0.197 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000236724347 419570840 /nfs/dbraw/zinc/57/08/40/419570840.db2.gz YSBGUCZUNGHGNU-STQMWFEESA-N 2 1 296.415 -0.265 20 0 CBADMP CCO[C@@H]1C[N@@H+]([C@@H]2CCN(CC)C2=O)C[C@H]1C[NH3+] ZINC000662285295 419571345 /nfs/dbraw/zinc/57/13/45/419571345.db2.gz IXQFEMMNDYICOZ-IJLUTSLNSA-N 2 1 255.362 -0.097 20 0 CBADMP CCO[C@@H]1C[N@H+]([C@@H]2CCN(CC)C2=O)C[C@H]1C[NH3+] ZINC000662285295 419571352 /nfs/dbraw/zinc/57/13/52/419571352.db2.gz IXQFEMMNDYICOZ-IJLUTSLNSA-N 2 1 255.362 -0.097 20 0 CBADMP NS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662277818 419573083 /nfs/dbraw/zinc/57/30/83/419573083.db2.gz UMWCFVGHIQNVMM-GHMZBOCLSA-N 2 1 289.401 -0.740 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000236724380 419574112 /nfs/dbraw/zinc/57/41/12/419574112.db2.gz YSBGUCZUNGHGNU-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP NS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662277820 419574465 /nfs/dbraw/zinc/57/44/65/419574465.db2.gz UMWCFVGHIQNVMM-MNOVXSKESA-N 2 1 289.401 -0.740 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1([NH3+])CC1 ZINC000237017209 419577519 /nfs/dbraw/zinc/57/75/19/419577519.db2.gz UFJGGCNCAYXMQG-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237091844 419577838 /nfs/dbraw/zinc/57/78/38/419577838.db2.gz VXDJXGBUGGQLBO-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP CCO[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C[NH3+] ZINC000662287424 419577950 /nfs/dbraw/zinc/57/79/50/419577950.db2.gz ZTXMATJMTOEBOB-JHJVBQTASA-N 3 1 269.389 -0.197 20 0 CBADMP CCO[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C[NH3+] ZINC000662287424 419577960 /nfs/dbraw/zinc/57/79/60/419577960.db2.gz ZTXMATJMTOEBOB-JHJVBQTASA-N 2 1 269.389 -0.197 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(C)(C)[NH3+] ZINC000237027260 419578179 /nfs/dbraw/zinc/57/81/79/419578179.db2.gz WNFVVICUYHNVHQ-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC[NH2+]C1 ZINC000394396599 544581373 /nfs/dbraw/zinc/58/13/73/544581373.db2.gz BPTBZFSFQHZWFA-HIFRSBDPSA-N 2 1 296.415 -0.881 20 0 CBADMP O=C(CC1CC[NH2+]CC1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394385177 544581924 /nfs/dbraw/zinc/58/19/24/544581924.db2.gz LAZKWLOWBIQKMG-CQSZACIVSA-N 2 1 280.416 -0.118 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000394382413 544582010 /nfs/dbraw/zinc/58/20/10/544582010.db2.gz WFVXCQPNVSUYDC-KGLIPLIRSA-N 2 1 292.427 -0.118 20 0 CBADMP O=C(CC[N@@H+]1CCc2nccnc2C1)N1CC[NH2+]CC1 ZINC000662317773 419585767 /nfs/dbraw/zinc/58/57/67/419585767.db2.gz SDNHFENFEPXUAD-UHFFFAOYSA-N 2 1 275.356 -0.343 20 0 CBADMP O=C(CC[N@H+]1CCc2nccnc2C1)N1CC[NH2+]CC1 ZINC000662317773 419585770 /nfs/dbraw/zinc/58/57/70/419585770.db2.gz SDNHFENFEPXUAD-UHFFFAOYSA-N 2 1 275.356 -0.343 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H]2COC[C@H]2C1)N1CC[NH2+]CC1 ZINC000662317501 419585793 /nfs/dbraw/zinc/58/57/93/419585793.db2.gz QIJYUBAUMNKXLU-CHWSQXEVSA-N 2 1 267.373 -0.223 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C[NH2+]C2CC2)C1 ZINC000237909379 419586257 /nfs/dbraw/zinc/58/62/57/419586257.db2.gz WZDOTUXYYGMGBG-LLVKDONJSA-N 2 1 282.388 -0.558 20 0 CBADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000662326839 419587161 /nfs/dbraw/zinc/58/71/61/419587161.db2.gz DKJTWILYKVLRHX-OAHLLOKOSA-N 3 1 284.448 -0.066 20 0 CBADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000662326839 419587164 /nfs/dbraw/zinc/58/71/64/419587164.db2.gz DKJTWILYKVLRHX-OAHLLOKOSA-N 3 1 284.448 -0.066 20 0 CBADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000245468729 419590679 /nfs/dbraw/zinc/59/06/79/419590679.db2.gz UDZSOGDYCWMDCY-RYUDHWBXSA-N 2 1 255.362 -0.273 20 0 CBADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000245468729 419590687 /nfs/dbraw/zinc/59/06/87/419590687.db2.gz UDZSOGDYCWMDCY-RYUDHWBXSA-N 2 1 255.362 -0.273 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC2(C[NH3+])CC2)C1 ZINC000647489190 419591709 /nfs/dbraw/zinc/59/17/09/419591709.db2.gz VZGRHFVUDKVEMP-NSHDSACASA-N 3 1 254.378 -0.488 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCCN(CC2(C[NH3+])CC2)C1 ZINC000647489190 419591719 /nfs/dbraw/zinc/59/17/19/419591719.db2.gz VZGRHFVUDKVEMP-NSHDSACASA-N 2 1 254.378 -0.488 20 0 CBADMP CO[C@]1(CO)CCCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000401706107 544585973 /nfs/dbraw/zinc/58/59/73/544585973.db2.gz DRAYDUWQJRNSEG-UONOGXRCSA-N 2 1 272.389 -0.085 20 0 CBADMP CO[C@]1(CO)CCC[N@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000401706107 544585975 /nfs/dbraw/zinc/58/59/75/544585975.db2.gz DRAYDUWQJRNSEG-UONOGXRCSA-N 2 1 272.389 -0.085 20 0 CBADMP COCCn1cc(C[N@H+](C)CCN2CC[NH2+]CC2)cn1 ZINC000647492944 419593984 /nfs/dbraw/zinc/59/39/84/419593984.db2.gz JYCVMJWCWJCTHU-UHFFFAOYSA-N 2 1 281.404 -0.134 20 0 CBADMP COCCn1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)cn1 ZINC000647492944 419593991 /nfs/dbraw/zinc/59/39/91/419593991.db2.gz JYCVMJWCWJCTHU-UHFFFAOYSA-N 2 1 281.404 -0.134 20 0 CBADMP Nc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000647489669 419594399 /nfs/dbraw/zinc/59/43/99/419594399.db2.gz WMPKLHTWZGWKKV-GFCCVEGCSA-N 2 1 277.372 -0.049 20 0 CBADMP CO[C@]1(CO)CCC[N@@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000401706107 544585978 /nfs/dbraw/zinc/58/59/78/544585978.db2.gz DRAYDUWQJRNSEG-UONOGXRCSA-N 2 1 272.389 -0.085 20 0 CBADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)COCC1CC1 ZINC000647517367 419599120 /nfs/dbraw/zinc/59/91/20/419599120.db2.gz HOFDEBAVYPERHU-KBPBESRZSA-N 2 1 272.389 -0.180 20 0 CBADMP CCS(=O)(=O)NCCC[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000647549237 419605680 /nfs/dbraw/zinc/60/56/80/419605680.db2.gz ORCMOFVLPNGPJP-MNOVXSKESA-N 2 1 263.407 -0.097 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000647542306 419606236 /nfs/dbraw/zinc/60/62/36/419606236.db2.gz OGUBTHNPDAYHLJ-HZSPNIEDSA-N 3 1 280.416 -0.133 20 0 CBADMP CC1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C[NH2+]C1 ZINC000399457334 544584425 /nfs/dbraw/zinc/58/44/25/544584425.db2.gz ISLBFXNHHUYGOZ-LLVKDONJSA-N 2 1 252.362 -0.898 20 0 CBADMP CO[C@@]1(CO)CCCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000401706102 544585039 /nfs/dbraw/zinc/58/50/39/544585039.db2.gz DRAYDUWQJRNSEG-KBPBESRZSA-N 2 1 272.389 -0.085 20 0 CBADMP CO[C@@]1(CO)CCC[N@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000401706102 544585040 /nfs/dbraw/zinc/58/50/40/544585040.db2.gz DRAYDUWQJRNSEG-KBPBESRZSA-N 2 1 272.389 -0.085 20 0 CBADMP CO[C@@]1(CO)CCC[N@@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000401706102 544585042 /nfs/dbraw/zinc/58/50/42/544585042.db2.gz DRAYDUWQJRNSEG-KBPBESRZSA-N 2 1 272.389 -0.085 20 0 CBADMP CC(C)[NH2+]CC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000662480364 419618239 /nfs/dbraw/zinc/61/82/39/419618239.db2.gz RQPDFIALLKUBCV-CYBMUJFWSA-N 2 1 270.421 -0.016 20 0 CBADMP CC(C)[NH2+]CC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000662501225 419627478 /nfs/dbraw/zinc/62/74/78/419627478.db2.gz BTANVXWZWBKYHK-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP C[N@H+](CCOC[C@H]1CCCO1)CC(=O)N1CC[NH2+]CC1 ZINC000647824131 419661210 /nfs/dbraw/zinc/66/12/10/419661210.db2.gz SBURBZVUERTDIP-CYBMUJFWSA-N 2 1 285.388 -0.454 20 0 CBADMP C[N@@H+](CCOC[C@H]1CCCO1)CC(=O)N1CC[NH2+]CC1 ZINC000647824131 419661215 /nfs/dbraw/zinc/66/12/15/419661215.db2.gz SBURBZVUERTDIP-CYBMUJFWSA-N 2 1 285.388 -0.454 20 0 CBADMP O=C([C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1)N1CC[NH2+]CC1 ZINC000647825637 419662463 /nfs/dbraw/zinc/66/24/63/419662463.db2.gz ZUMVUPSRDIZCNU-RYUDHWBXSA-N 2 1 280.372 -0.981 20 0 CBADMP C[C@H](C[N@H+](C)CCN1CC[NH2+]CC1)CS(C)(=O)=O ZINC000647835977 419665375 /nfs/dbraw/zinc/66/53/75/419665375.db2.gz XEDLNNAWKWSNIX-GFCCVEGCSA-N 2 1 277.434 -0.496 20 0 CBADMP C[C@H](C[N@@H+](C)CCN1CC[NH2+]CC1)CS(C)(=O)=O ZINC000647835977 419665379 /nfs/dbraw/zinc/66/53/79/419665379.db2.gz XEDLNNAWKWSNIX-GFCCVEGCSA-N 2 1 277.434 -0.496 20 0 CBADMP C[C@@H](C(=O)N1CC[NH2+]CC1(C)C)N1CC[NH+](C)CC1 ZINC000647841277 419670122 /nfs/dbraw/zinc/67/01/22/419670122.db2.gz FVOKFIIWRCNILD-LBPRGKRZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000405315781 544589524 /nfs/dbraw/zinc/58/95/24/544589524.db2.gz PHIONECIWIBYGH-LJISPDSOSA-N 2 1 283.416 -0.154 20 0 CBADMP C[C@@H]1C[N@H+](CCN2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000405315781 544589526 /nfs/dbraw/zinc/58/95/26/544589526.db2.gz PHIONECIWIBYGH-LJISPDSOSA-N 2 1 283.416 -0.154 20 0 CBADMP C[C@@H]1C[NH+](CCN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000405315781 544589528 /nfs/dbraw/zinc/58/95/28/544589528.db2.gz PHIONECIWIBYGH-LJISPDSOSA-N 2 1 283.416 -0.154 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CCC[NH3+])CC1 ZINC000647849068 419670380 /nfs/dbraw/zinc/67/03/80/419670380.db2.gz GVLKIEJIUFBLML-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)CCC[NH3+])CC1 ZINC000647849068 419670384 /nfs/dbraw/zinc/67/03/84/419670384.db2.gz GVLKIEJIUFBLML-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP C[C@@H]1C[NH+](CCN2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000405315781 544589533 /nfs/dbraw/zinc/58/95/33/544589533.db2.gz PHIONECIWIBYGH-LJISPDSOSA-N 2 1 283.416 -0.154 20 0 CBADMP O=C(C[C@H]1CC[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655200 419671500 /nfs/dbraw/zinc/67/15/00/419671500.db2.gz HGVWWGORLUXOKO-CHWSQXEVSA-N 2 1 267.373 -0.081 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000647865212 419676157 /nfs/dbraw/zinc/67/61/57/419676157.db2.gz BQALMWXLEUPBAY-IGQOVBAYSA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000647865212 419676161 /nfs/dbraw/zinc/67/61/61/419676161.db2.gz BQALMWXLEUPBAY-IGQOVBAYSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000662673550 419676323 /nfs/dbraw/zinc/67/63/23/419676323.db2.gz MWNFMAGMUVMTCL-IHRRRGAJSA-N 2 1 299.415 -0.177 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647865572 419676328 /nfs/dbraw/zinc/67/63/28/419676328.db2.gz NSOJCHWGOCSLET-FRRDWIJNSA-N 2 1 257.378 -0.245 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662668260 419677557 /nfs/dbraw/zinc/67/75/57/419677557.db2.gz JWBIHQFKVJKPGU-HZSPNIEDSA-N 2 1 299.415 -0.177 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662672749 419678252 /nfs/dbraw/zinc/67/82/52/419678252.db2.gz CWYUWNFOKPKPAE-STQMWFEESA-N 2 1 285.388 -0.469 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000662672418 419678732 /nfs/dbraw/zinc/67/87/32/419678732.db2.gz ZEBCOJREEPVWDV-XJFOESAGSA-N 2 1 299.415 -0.034 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662668268 419679367 /nfs/dbraw/zinc/67/93/67/419679367.db2.gz JWBIHQFKVJKPGU-RDBSUJKOSA-N 2 1 299.415 -0.177 20 0 CBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662679597 419679582 /nfs/dbraw/zinc/67/95/82/419679582.db2.gz ARFAGALUCCBCFJ-TXEJJXNPSA-N 2 1 269.389 -0.195 20 0 CBADMP C[C@H](CNC(=O)C1(O)C[NH2+]C1)[N@H+]1CCC[C@H](C)C1 ZINC000662679990 419681755 /nfs/dbraw/zinc/68/17/55/419681755.db2.gz RBSPMDBFURRPBD-WDEREUQCSA-N 2 1 255.362 -0.443 20 0 CBADMP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000662679988 419682851 /nfs/dbraw/zinc/68/28/51/419682851.db2.gz RBSPMDBFURRPBD-MNOVXSKESA-N 2 1 255.362 -0.443 20 0 CBADMP O=C(NC1CC1)[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000647879557 419683329 /nfs/dbraw/zinc/68/33/29/419683329.db2.gz NYEQFQKDIKZMJK-CYBMUJFWSA-N 2 1 266.389 -0.365 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC000647878396 419685190 /nfs/dbraw/zinc/68/51/90/419685190.db2.gz BRCSQBPYAAWBHZ-KKOKHZNYSA-N 2 1 255.362 -0.099 20 0 CBADMP CC[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647934359 419691898 /nfs/dbraw/zinc/69/18/98/419691898.db2.gz BVUPBMJUMPHNEJ-CHWSQXEVSA-N 3 1 268.405 -0.133 20 0 CBADMP CC[C@@H]1C[N@H+](CCC(=O)N2CCNCC2)CC[C@H]1[NH3+] ZINC000647934359 419691905 /nfs/dbraw/zinc/69/19/05/419691905.db2.gz BVUPBMJUMPHNEJ-CHWSQXEVSA-N 2 1 268.405 -0.133 20 0 CBADMP CC[C@@H]1C[N@@H+](CCC(=O)N2CCNCC2)CC[C@H]1[NH3+] ZINC000647934359 419691909 /nfs/dbraw/zinc/69/19/09/419691909.db2.gz BVUPBMJUMPHNEJ-CHWSQXEVSA-N 2 1 268.405 -0.133 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000662703599 419692614 /nfs/dbraw/zinc/69/26/14/419692614.db2.gz MLJABGLQGOVIAW-OBJOEFQTSA-N 2 1 267.373 -0.177 20 0 CBADMP O=C(N1CCC[N@H+](C2CCCC2)CC1)C1(O)C[NH2+]C1 ZINC000662705404 419693907 /nfs/dbraw/zinc/69/39/07/419693907.db2.gz NXOZGBLMMRWTGF-UHFFFAOYSA-N 2 1 267.373 -0.202 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000662704232 419694284 /nfs/dbraw/zinc/69/42/84/419694284.db2.gz XAQUPDSBKHADQU-RYUDHWBXSA-N 2 1 256.394 -0.134 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662704036 419695038 /nfs/dbraw/zinc/69/50/38/419695038.db2.gz SBLHZOQEYYNUGE-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])C1CC1 ZINC000662710372 419695132 /nfs/dbraw/zinc/69/51/32/419695132.db2.gz HRGDJPARVVMNAK-VXGBXAGGSA-N 2 1 255.362 -0.049 20 0 CBADMP C[NH2+]CCN(C)C(=O)NCC[NH+]1CCSCC1 ZINC000417607369 544591254 /nfs/dbraw/zinc/59/12/54/544591254.db2.gz GOCXSATVYDLNKN-UHFFFAOYSA-N 2 1 260.407 -0.104 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662713329 419696848 /nfs/dbraw/zinc/69/68/48/419696848.db2.gz YWKWCKUUKIZZFT-UPJWGTAASA-N 2 1 285.388 -0.423 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000662719493 419698577 /nfs/dbraw/zinc/69/85/77/419698577.db2.gz DFYIUVHJIPFPES-AGIUHOORSA-N 2 1 267.373 -0.049 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662721162 419701228 /nfs/dbraw/zinc/70/12/28/419701228.db2.gz KNVFCPZPOLVEPU-QJPTWQEYSA-N 2 1 271.361 -0.813 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000647973982 419702192 /nfs/dbraw/zinc/70/21/92/419702192.db2.gz OCYIPJRHQQXLPS-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662721163 419704302 /nfs/dbraw/zinc/70/43/02/419704302.db2.gz KNVFCPZPOLVEPU-SDDRHHMPSA-N 2 1 271.361 -0.813 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])n1C ZINC000662730133 419708074 /nfs/dbraw/zinc/70/80/74/419708074.db2.gz SDGPTACFDHABEB-QWRGUYRKSA-N 2 1 281.360 -0.534 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662759436 419711192 /nfs/dbraw/zinc/71/11/92/419711192.db2.gz WPKAPSYQGFXCRE-JOCQHMNTSA-N 2 1 268.405 -0.133 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000331411189 419659164 /nfs/dbraw/zinc/65/91/64/419659164.db2.gz RMJBHYPPFAPQHO-NTZNESFSSA-N 2 1 294.399 -0.594 20 0 CBADMP Cc1[nH+]ccn1CCCN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662799761 419729243 /nfs/dbraw/zinc/72/92/43/419729243.db2.gz LZOCVDZZMMSLMG-UHFFFAOYSA-N 2 1 252.318 -0.626 20 0 CBADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000662796862 419731495 /nfs/dbraw/zinc/73/14/95/419731495.db2.gz CUILZYIYVHYQQN-VXGBXAGGSA-N 2 1 271.361 -0.811 20 0 CBADMP CC(C)([NH3+])CCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000648110891 419736835 /nfs/dbraw/zinc/73/68/35/419736835.db2.gz YJXKBMKACJYEIX-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662821867 419737290 /nfs/dbraw/zinc/73/72/90/419737290.db2.gz IPPQDIZSDOPLGY-UHFFFAOYSA-N 2 1 280.376 -0.207 20 0 CBADMP C[C@@H](C(=O)N(C)CC(C)(C)[NH3+])N1CC[NH+](C)CC1 ZINC000662845357 419742879 /nfs/dbraw/zinc/74/28/79/419742879.db2.gz OUMDHKSTFWDKCG-NSHDSACASA-N 2 1 256.394 -0.182 20 0 CBADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C1(O)C[NH2+]C1 ZINC000662878382 419760604 /nfs/dbraw/zinc/76/06/04/419760604.db2.gz RVLMQJAFEJEFKM-NSHDSACASA-N 2 1 267.373 -0.156 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1(O)C[NH2+]C1 ZINC000662878381 419761305 /nfs/dbraw/zinc/76/13/05/419761305.db2.gz RVLMQJAFEJEFKM-LLVKDONJSA-N 2 1 267.373 -0.156 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662906369 419769163 /nfs/dbraw/zinc/76/91/63/419769163.db2.gz IYBLOSGWAOPJHW-NWDGAFQWSA-N 2 1 254.378 -0.510 20 0 CBADMP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662907396 419769883 /nfs/dbraw/zinc/76/98/83/419769883.db2.gz UNYXBKAVLXRRRC-KBPBESRZSA-N 2 1 296.415 -0.739 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662924325 419777213 /nfs/dbraw/zinc/77/72/13/419777213.db2.gz WQMJXCMHQFKWNA-UHFFFAOYSA-N 2 1 270.377 -0.652 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])[C@H](C)C1 ZINC000662937012 419784015 /nfs/dbraw/zinc/78/40/15/419784015.db2.gz DPSCKWQXICWPMY-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[NH3+])C[C@H]1C ZINC000662935908 419784163 /nfs/dbraw/zinc/78/41/63/419784163.db2.gz BGYZYJXGRRXQTP-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[NH3+])C[C@H]1C ZINC000662935908 419784170 /nfs/dbraw/zinc/78/41/70/419784170.db2.gz BGYZYJXGRRXQTP-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CCC[NH3+] ZINC000662935962 419784745 /nfs/dbraw/zinc/78/47/45/419784745.db2.gz BUZGMIUZNVTUNY-GFCCVEGCSA-N 2 1 284.404 -0.408 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CCC[NH3+] ZINC000662935962 419784749 /nfs/dbraw/zinc/78/47/49/419784749.db2.gz BUZGMIUZNVTUNY-GFCCVEGCSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)N1CC[NH+](C)CC1 ZINC000662985479 419805364 /nfs/dbraw/zinc/80/53/64/419805364.db2.gz VIIZUDNKIAXEGW-ZJUUUORDSA-N 2 1 296.337 -0.030 20 0 CBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1ccn[nH]1 ZINC000531357991 544603037 /nfs/dbraw/zinc/60/30/37/544603037.db2.gz SJFGLNLCGIJGFT-UHFFFAOYSA-N 2 1 267.377 -0.096 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000353296847 419835162 /nfs/dbraw/zinc/83/51/62/419835162.db2.gz ZBLWXUZPAZDKTO-CQSZACIVSA-N 2 1 295.387 0.038 20 0 CBADMP CN(CC1C[NH+](C)C1)C(=O)NCCC[NH+]1CCOCC1 ZINC000663404821 419837943 /nfs/dbraw/zinc/83/79/43/419837943.db2.gz MOBVIKLYSLSVHZ-UHFFFAOYSA-N 2 1 284.404 -0.088 20 0 CBADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000353469014 419838735 /nfs/dbraw/zinc/83/87/35/419838735.db2.gz FQQLJAVICRETRX-OUAUKWLOSA-N 2 1 270.377 -0.574 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000353469014 419838739 /nfs/dbraw/zinc/83/87/39/419838739.db2.gz FQQLJAVICRETRX-OUAUKWLOSA-N 2 1 270.377 -0.574 20 0 CBADMP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353760697 419841004 /nfs/dbraw/zinc/84/10/04/419841004.db2.gz RPZOEQLOVBCKHC-QWRGUYRKSA-N 2 1 270.377 -0.574 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353760697 419841025 /nfs/dbraw/zinc/84/10/25/419841025.db2.gz RPZOEQLOVBCKHC-QWRGUYRKSA-N 2 1 270.377 -0.574 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1O ZINC000663681309 419854346 /nfs/dbraw/zinc/85/43/46/419854346.db2.gz JRIKHPRROZJRSY-MQYQWHSLSA-N 2 1 296.415 -0.071 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649271295 419857390 /nfs/dbraw/zinc/85/73/90/419857390.db2.gz DYXSSSSIZSIFED-UHFFFAOYSA-N 2 1 256.394 -0.310 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC[N@H+]1C ZINC000648731329 419797152 /nfs/dbraw/zinc/79/71/52/419797152.db2.gz PVGFTBWQRCFEKA-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649313154 419877402 /nfs/dbraw/zinc/87/74/02/419877402.db2.gz DYFWNRYLEZNBPT-LPWJVIDDSA-N 2 1 294.399 -0.560 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000649318773 419880116 /nfs/dbraw/zinc/88/01/16/419880116.db2.gz KNZLUQAQDSMGGF-LBPRGKRZSA-N 2 1 285.388 -0.408 20 0 CBADMP CCN(C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@@H+](C)C1 ZINC000664082232 419880748 /nfs/dbraw/zinc/88/07/48/419880748.db2.gz AFOBDJWCPVODPX-KGLIPLIRSA-N 2 1 297.447 -0.032 20 0 CBADMP CCN(C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@@H]1CC[NH+](C)C1 ZINC000664082232 419880756 /nfs/dbraw/zinc/88/07/56/419880756.db2.gz AFOBDJWCPVODPX-KGLIPLIRSA-N 2 1 297.447 -0.032 20 0 CBADMP CCN(C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CC[NH+](C)C1 ZINC000664082232 419880764 /nfs/dbraw/zinc/88/07/64/419880764.db2.gz AFOBDJWCPVODPX-KGLIPLIRSA-N 2 1 297.447 -0.032 20 0 CBADMP O=C([C@H]1CC[NH2+]1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649321148 419884657 /nfs/dbraw/zinc/88/46/57/419884657.db2.gz MZNQJRMKXAGALN-GRYCIOLGSA-N 2 1 253.346 -0.594 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649323567 419887481 /nfs/dbraw/zinc/88/74/81/419887481.db2.gz CRTRZUWDAFHRJP-KKOKHZNYSA-N 2 1 253.346 -0.426 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000649334114 419894606 /nfs/dbraw/zinc/89/46/06/419894606.db2.gz KXOKPDMZWHAFNB-RZFFKMDDSA-N 2 1 292.427 -0.264 20 0 CBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000649334114 419894609 /nfs/dbraw/zinc/89/46/09/419894609.db2.gz KXOKPDMZWHAFNB-RZFFKMDDSA-N 2 1 292.427 -0.264 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000358119595 419895311 /nfs/dbraw/zinc/89/53/11/419895311.db2.gz OTUMBMNBRRBMEU-QWHCGFSZSA-N 2 1 257.378 -0.637 20 0 CBADMP COCC[N@H+]1CC[C@H](NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000358119595 419895318 /nfs/dbraw/zinc/89/53/18/419895318.db2.gz OTUMBMNBRRBMEU-QWHCGFSZSA-N 2 1 257.378 -0.637 20 0 CBADMP COCC[NH+]1CC[C@H](NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000358119595 419895321 /nfs/dbraw/zinc/89/53/21/419895321.db2.gz OTUMBMNBRRBMEU-QWHCGFSZSA-N 2 1 257.378 -0.637 20 0 CBADMP COCC[NH+]1CC[C@H](NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000358119595 419895327 /nfs/dbraw/zinc/89/53/27/419895327.db2.gz OTUMBMNBRRBMEU-QWHCGFSZSA-N 2 1 257.378 -0.637 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649340088 419895498 /nfs/dbraw/zinc/89/54/98/419895498.db2.gz AIYQBPCKRVZBIG-GDNZZTSVSA-N 2 1 255.362 -0.464 20 0 CBADMP CC(=O)N1CC[C@]([NH3+])(C(=O)NCC[N@H+]2CC[C@H](C)C2)C1 ZINC000649341937 419895781 /nfs/dbraw/zinc/89/57/81/419895781.db2.gz AYTFFVBIDSNNNT-SMDDNHRTSA-N 2 1 282.388 -0.606 20 0 CBADMP CC(=O)N1CC[C@]([NH3+])(C(=O)NCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000649341937 419895786 /nfs/dbraw/zinc/89/57/86/419895786.db2.gz AYTFFVBIDSNNNT-SMDDNHRTSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000639049284 544611359 /nfs/dbraw/zinc/61/13/59/544611359.db2.gz MQSFMEGOKLNIOP-CYBMUJFWSA-N 2 1 299.396 -0.510 20 0 CBADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000639049284 544611366 /nfs/dbraw/zinc/61/13/66/544611366.db2.gz MQSFMEGOKLNIOP-CYBMUJFWSA-N 2 1 299.396 -0.510 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC(CO)C1 ZINC000665761797 544615219 /nfs/dbraw/zinc/61/52/19/544615219.db2.gz QIQURWMDZMVNSK-LBPRGKRZSA-N 2 1 286.420 -0.108 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC(CO)C1 ZINC000665761797 544615221 /nfs/dbraw/zinc/61/52/21/544615221.db2.gz QIQURWMDZMVNSK-LBPRGKRZSA-N 2 1 286.420 -0.108 20 0 CBADMP CC(C)[C@H](CNC(=O)COC1(C)C[NH2+]C1)[NH+]1CCOCC1 ZINC000649284810 419860489 /nfs/dbraw/zinc/86/04/89/419860489.db2.gz AYQMIWVLLZSGDN-ZDUSSCGKSA-N 2 1 299.415 -0.162 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649280790 419861160 /nfs/dbraw/zinc/86/11/60/419861160.db2.gz LUWHDKAIUAXDEC-IGQOVBAYSA-N 2 1 281.400 -0.075 20 0 CBADMP O=C(CCOC1C[NH2+]C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000649278974 419862205 /nfs/dbraw/zinc/86/22/05/419862205.db2.gz PGXLCMCKVKYLSO-ZDUSSCGKSA-N 2 1 297.399 -0.312 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000666923991 544649605 /nfs/dbraw/zinc/64/96/05/544649605.db2.gz WJUDCGLLQYRVDM-OCCSQVGLSA-N 2 1 284.404 -0.164 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000666923991 544649609 /nfs/dbraw/zinc/64/96/09/544649609.db2.gz WJUDCGLLQYRVDM-OCCSQVGLSA-N 2 1 284.404 -0.164 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000666923991 544649614 /nfs/dbraw/zinc/64/96/14/544649614.db2.gz WJUDCGLLQYRVDM-OCCSQVGLSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000649348785 419899737 /nfs/dbraw/zinc/89/97/37/419899737.db2.gz UXUNGFSHQRYPKX-JQWIXIFHSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)CN1CC[NH+](C)CC1 ZINC000649351415 419902961 /nfs/dbraw/zinc/90/29/61/419902961.db2.gz VXLZXDSCYFGDKO-IGQOVBAYSA-N 2 1 280.416 -0.549 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664407376 419903456 /nfs/dbraw/zinc/90/34/56/419903456.db2.gz WWWNXLMGHGDXQE-ZZVYKPCYSA-N 2 1 296.415 -0.215 20 0 CBADMP CC[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358658901 419909736 /nfs/dbraw/zinc/90/97/36/419909736.db2.gz GJZHRQJYZAMGQD-AWEZNQCLSA-N 2 1 284.404 -0.164 20 0 CBADMP C(CN1CCOCC1)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000649419575 419910185 /nfs/dbraw/zinc/91/01/85/419910185.db2.gz WLNVLIVKJZXJHQ-HNNXBMFYSA-N 2 1 282.432 -0.312 20 0 CBADMP C[N@@H+](CCCN1CCOCC1)CCN1CC[NH2+]CC1 ZINC000649409633 419910743 /nfs/dbraw/zinc/91/07/43/419910743.db2.gz GIXWZQXNXUFWCB-UHFFFAOYSA-N 2 1 270.421 -0.454 20 0 CBADMP CC[NH+]1CCC(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358658902 419910869 /nfs/dbraw/zinc/91/08/69/419910869.db2.gz GJZHRQJYZAMGQD-CQSZACIVSA-N 2 1 284.404 -0.164 20 0 CBADMP CC(C)[C@@H](CNC(=O)NC[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000669021328 544734069 /nfs/dbraw/zinc/73/40/69/544734069.db2.gz QNTFEJYWNUKLAB-NWDGAFQWSA-N 2 1 272.393 -0.010 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669452006 544749234 /nfs/dbraw/zinc/74/92/34/544749234.db2.gz NSHMUDYZHVKHDK-QWHCGFSZSA-N 2 1 284.404 -0.042 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000669403220 544749696 /nfs/dbraw/zinc/74/96/96/544749696.db2.gz OZAHQYUSQNQPEQ-GRYCIOLGSA-N 2 1 252.362 -0.059 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)[NH3+] ZINC000669473250 544750319 /nfs/dbraw/zinc/75/03/19/544750319.db2.gz ZHEZNXVQDQJWFG-QWRGUYRKSA-N 2 1 258.366 -0.256 20 0 CBADMP C[C@H](C(=O)NCCC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000358805457 419921844 /nfs/dbraw/zinc/92/18/44/419921844.db2.gz XBQRBVXOQVWVBH-GFCCVEGCSA-N 2 1 256.394 -0.310 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NCC[NH2+]C2CC2)C1 ZINC000669491558 544751017 /nfs/dbraw/zinc/75/10/17/544751017.db2.gz ZXUSXOQNMWSGNT-LBPRGKRZSA-N 2 1 270.377 -0.242 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC[N@@H+](C)C2CC2)CCO1 ZINC000669477829 544751242 /nfs/dbraw/zinc/75/12/42/544751242.db2.gz JJUHUQNKOHUPSE-JQWIXIFHSA-N 2 1 270.377 -0.162 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000669927726 544768653 /nfs/dbraw/zinc/76/86/53/544768653.db2.gz HSGHXSKKBOQHCO-STQMWFEESA-N 3 1 266.389 -0.698 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000671816899 544834101 /nfs/dbraw/zinc/83/41/01/544834101.db2.gz MVZFOTYIYUZPMS-RYUDHWBXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000671816899 544834106 /nfs/dbraw/zinc/83/41/06/544834106.db2.gz MVZFOTYIYUZPMS-RYUDHWBXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000671816899 544834111 /nfs/dbraw/zinc/83/41/11/544834111.db2.gz MVZFOTYIYUZPMS-RYUDHWBXSA-N 2 1 294.399 -0.450 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2COC)CC1 ZINC000649759948 419929839 /nfs/dbraw/zinc/92/98/39/419929839.db2.gz APLYNXGRIOOKTF-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2COC)CC1 ZINC000649759948 419929846 /nfs/dbraw/zinc/92/98/46/419929846.db2.gz APLYNXGRIOOKTF-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000671419196 544810849 /nfs/dbraw/zinc/81/08/49/544810849.db2.gz XLQXPNIRRPIPSQ-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000671419196 544810851 /nfs/dbraw/zinc/81/08/51/544810851.db2.gz XLQXPNIRRPIPSQ-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000671419196 544810852 /nfs/dbraw/zinc/81/08/52/544810852.db2.gz XLQXPNIRRPIPSQ-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000665152927 419934367 /nfs/dbraw/zinc/93/43/67/419934367.db2.gz BGUWMZIAUDNRMT-WOPDTQHZSA-N 2 1 270.377 -0.603 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000670473212 544794741 /nfs/dbraw/zinc/79/47/41/544794741.db2.gz PZXFSLBGIIRKHX-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000671820986 544836130 /nfs/dbraw/zinc/83/61/30/544836130.db2.gz XSMFTIVSBHJKFB-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)C[NH+](C)C)C2 ZINC000672262298 544844264 /nfs/dbraw/zinc/84/42/64/544844264.db2.gz KCROMRCWRBZUST-YHWZYXNKSA-N 2 1 296.415 -0.252 20 0 CBADMP CC1(C)NC(=O)N(CCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000359310557 419959585 /nfs/dbraw/zinc/95/95/85/419959585.db2.gz QQCWXKWPOUIWIO-QWRGUYRKSA-N 2 1 280.372 -0.142 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651098818 419984284 /nfs/dbraw/zinc/98/42/84/419984284.db2.gz IAXGNXKBCMOCAQ-CMPLNLGQSA-N 2 1 270.377 -0.603 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651098818 419984288 /nfs/dbraw/zinc/98/42/88/419984288.db2.gz IAXGNXKBCMOCAQ-CMPLNLGQSA-N 2 1 270.377 -0.603 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000360108670 420003479 /nfs/dbraw/zinc/00/34/79/420003479.db2.gz ADUHKTMGEOQGOI-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000360108670 420003482 /nfs/dbraw/zinc/00/34/82/420003482.db2.gz ADUHKTMGEOQGOI-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000360108670 420003484 /nfs/dbraw/zinc/00/34/84/420003484.db2.gz ADUHKTMGEOQGOI-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCOC)C1 ZINC000360108670 420003488 /nfs/dbraw/zinc/00/34/88/420003488.db2.gz ADUHKTMGEOQGOI-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000360108675 420003682 /nfs/dbraw/zinc/00/36/82/420003682.db2.gz ADUHKTMGEOQGOI-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000360108675 420003685 /nfs/dbraw/zinc/00/36/85/420003685.db2.gz ADUHKTMGEOQGOI-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000360108675 420003689 /nfs/dbraw/zinc/00/36/89/420003689.db2.gz ADUHKTMGEOQGOI-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000360108675 420003691 /nfs/dbraw/zinc/00/36/91/420003691.db2.gz ADUHKTMGEOQGOI-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364142243 420029544 /nfs/dbraw/zinc/02/95/44/420029544.db2.gz KFNNCEDZDGCCCV-GXTWGEPZSA-N 2 1 267.373 -0.176 20 0 CBADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000652341749 420057256 /nfs/dbraw/zinc/05/72/56/420057256.db2.gz MVJKYOWUDKXZHX-GHMZBOCLSA-N 2 1 297.321 -0.043 20 0 CBADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000652341749 420057258 /nfs/dbraw/zinc/05/72/58/420057258.db2.gz MVJKYOWUDKXZHX-GHMZBOCLSA-N 2 1 297.321 -0.043 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000652336924 420057458 /nfs/dbraw/zinc/05/74/58/420057458.db2.gz OWCJWSHWYNZXRR-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](N(C)Cc2noc(C)n2)C1 ZINC000652339336 420057649 /nfs/dbraw/zinc/05/76/49/420057649.db2.gz OAAQUWSVSOYTGD-OCCSQVGLSA-N 2 1 297.403 -0.145 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](N(C)Cc2noc(C)n2)C1 ZINC000652339336 420057652 /nfs/dbraw/zinc/05/76/52/420057652.db2.gz OAAQUWSVSOYTGD-OCCSQVGLSA-N 2 1 297.403 -0.145 20 0 CBADMP C[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1CC[NH3+] ZINC000652354223 420058899 /nfs/dbraw/zinc/05/88/99/420058899.db2.gz PTNNITLHPSWTKV-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1CC[NH3+] ZINC000652354223 420058901 /nfs/dbraw/zinc/05/89/01/420058901.db2.gz PTNNITLHPSWTKV-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP CCO[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652356760 420059483 /nfs/dbraw/zinc/05/94/83/420059483.db2.gz GDTFLQBMELYDNI-VXGBXAGGSA-N 2 1 293.433 -0.437 20 0 CBADMP CCO[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652356760 420059487 /nfs/dbraw/zinc/05/94/87/420059487.db2.gz GDTFLQBMELYDNI-VXGBXAGGSA-N 2 1 293.433 -0.437 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365329912 420061662 /nfs/dbraw/zinc/06/16/62/420061662.db2.gz JNGOSWBUICJCFQ-QNWHQSFQSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000365331959 420062216 /nfs/dbraw/zinc/06/22/16/420062216.db2.gz QMWHDPZHPWWJMK-QNWHQSFQSA-N 2 1 299.415 -0.287 20 0 CBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000365331959 420062222 /nfs/dbraw/zinc/06/22/22/420062222.db2.gz QMWHDPZHPWWJMK-QNWHQSFQSA-N 2 1 299.415 -0.287 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652889355 420096015 /nfs/dbraw/zinc/09/60/15/420096015.db2.gz PVDDBEMNFKBHMX-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652889355 420096021 /nfs/dbraw/zinc/09/60/21/420096021.db2.gz PVDDBEMNFKBHMX-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@H](n3cncn3)C2)CC1 ZINC000367306690 420103705 /nfs/dbraw/zinc/10/37/05/420103705.db2.gz ZPDJXZALXSFROY-ZDUSSCGKSA-N 2 1 292.387 -0.311 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](n3cncn3)C2)CC1 ZINC000367306690 420103711 /nfs/dbraw/zinc/10/37/11/420103711.db2.gz ZPDJXZALXSFROY-ZDUSSCGKSA-N 2 1 292.387 -0.311 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)CC(F)(F)C[NH3+])CCO1 ZINC000653055595 420112071 /nfs/dbraw/zinc/11/20/71/420112071.db2.gz HUYDXUBUHVOYNU-HTQZYQBOSA-N 2 1 251.277 -0.455 20 0 CBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)CC[NH2+]C)CC2)C1 ZINC000367645317 420113437 /nfs/dbraw/zinc/11/34/37/420113437.db2.gz YMHLYRIGMBAMFL-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)CC[NH2+]C)CC2)C1 ZINC000367645317 420113440 /nfs/dbraw/zinc/11/34/40/420113440.db2.gz YMHLYRIGMBAMFL-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000653105756 420115920 /nfs/dbraw/zinc/11/59/20/420115920.db2.gz IOVMZCTZOZGLFZ-UONOGXRCSA-N 2 1 298.431 -0.411 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653110386 420116142 /nfs/dbraw/zinc/11/61/42/420116142.db2.gz GQMJODHPDIPOPW-GVXVVHGQSA-N 2 1 253.346 -0.710 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110427 420116632 /nfs/dbraw/zinc/11/66/32/420116632.db2.gz IJZJZSFNFBWFBL-XFMPKHEZSA-N 2 1 279.384 -0.035 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000653112614 420117175 /nfs/dbraw/zinc/11/71/75/420117175.db2.gz DEDAAPZDFMJJSX-PWSUYJOCSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)C[NH+]1CCOCC1 ZINC000653114536 420118719 /nfs/dbraw/zinc/11/87/19/420118719.db2.gz LWABTVTTWJOPDN-YDHLFZDLSA-N 2 1 297.399 -0.693 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[N@H+]1C1CC1 ZINC000653123749 420118813 /nfs/dbraw/zinc/11/88/13/420118813.db2.gz GAVLWSYINNVWLP-OHTBPHCPSA-N 2 1 279.384 -0.036 20 0 CBADMP C[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000653114764 420118992 /nfs/dbraw/zinc/11/89/92/420118992.db2.gz WCDJVUIZGMBRAX-CHWSQXEVSA-N 2 1 286.420 -0.650 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653123668 420119153 /nfs/dbraw/zinc/11/91/53/420119153.db2.gz DASQMPGYHLQMAI-MEDZGJRSSA-N 2 1 279.384 -0.179 20 0 CBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)C[C@H]1C[NH3+] ZINC000653243844 420130256 /nfs/dbraw/zinc/13/02/56/420130256.db2.gz PBXBLZQZLHGZPQ-KXUCPTDWSA-N 2 1 259.375 -0.529 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000368571910 420137276 /nfs/dbraw/zinc/13/72/76/420137276.db2.gz IAKYFLPJFQYLOC-CQSZACIVSA-N 2 1 296.415 -0.785 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000368571910 420137281 /nfs/dbraw/zinc/13/72/81/420137281.db2.gz IAKYFLPJFQYLOC-CQSZACIVSA-N 2 1 296.415 -0.785 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000652706293 420075387 /nfs/dbraw/zinc/07/53/87/420075387.db2.gz ZQGWNQURGGEXPZ-GFCCVEGCSA-N 2 1 286.420 -0.114 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)C1 ZINC000652706098 420076294 /nfs/dbraw/zinc/07/62/94/420076294.db2.gz VIFFBTINNVJELQ-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652714392 420077660 /nfs/dbraw/zinc/07/76/60/420077660.db2.gz JZDDRXZNNLVCJK-NSHDSACASA-N 2 1 282.388 -0.558 20 0 CBADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H](C)[NH3+])CC2)C1 ZINC000370780613 420187770 /nfs/dbraw/zinc/18/77/70/420187770.db2.gz UMVTYAHHNBBZAG-OLZOCXBDSA-N 2 1 284.404 -0.802 20 0 CBADMP CC[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H](C)[NH3+])CC2)C1 ZINC000370780613 420187774 /nfs/dbraw/zinc/18/77/74/420187774.db2.gz UMVTYAHHNBBZAG-OLZOCXBDSA-N 2 1 284.404 -0.802 20 0 CBADMP C[NH+](C)CC(C)(C)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000654657292 420189950 /nfs/dbraw/zinc/18/99/50/420189950.db2.gz IICOAFDSFIACOU-GFCCVEGCSA-N 2 1 268.405 -0.167 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000389716217 420205803 /nfs/dbraw/zinc/20/58/03/420205803.db2.gz JEMQJTMDWCESNO-GFCCVEGCSA-N 2 1 254.378 -0.508 20 0 CBADMP [NH2+]=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCOCC1 ZINC000369018280 420148567 /nfs/dbraw/zinc/14/85/67/420148567.db2.gz WXFRUCXNSUGBBS-RYUDHWBXSA-N 2 1 268.361 -0.294 20 0 CBADMP CC(C)[NH2+]CCN1CCO[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000369134840 420151968 /nfs/dbraw/zinc/15/19/68/420151968.db2.gz QEEPQWMSRIVUFX-HNNXBMFYSA-N 2 1 284.448 -0.067 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@]1(C)CO ZINC000653617700 420153203 /nfs/dbraw/zinc/15/32/03/420153203.db2.gz WNOQSTZKPPDHBG-QWHCGFSZSA-N 2 1 260.378 -0.228 20 0 CBADMP O=C1CNC(=O)N1CCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369600043 420163037 /nfs/dbraw/zinc/16/30/37/420163037.db2.gz NRZXLXTUWGROSE-JHJVBQTASA-N 2 1 292.383 -0.046 20 0 CBADMP O=C1CNC(=O)N1CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369600043 420163041 /nfs/dbraw/zinc/16/30/41/420163041.db2.gz NRZXLXTUWGROSE-JHJVBQTASA-N 2 1 292.383 -0.046 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369600043 420163046 /nfs/dbraw/zinc/16/30/46/420163046.db2.gz NRZXLXTUWGROSE-JHJVBQTASA-N 2 1 292.383 -0.046 20 0 CBADMP O=C1CNC(=O)N1CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369600043 420163051 /nfs/dbraw/zinc/16/30/51/420163051.db2.gz NRZXLXTUWGROSE-JHJVBQTASA-N 2 1 292.383 -0.046 20 0 CBADMP O=C1CNC(=O)N1CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369600043 420163058 /nfs/dbraw/zinc/16/30/58/420163058.db2.gz NRZXLXTUWGROSE-JHJVBQTASA-N 2 1 292.383 -0.046 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000369680572 420163436 /nfs/dbraw/zinc/16/34/36/420163436.db2.gz UKJUGWHDRBAVCM-GFCCVEGCSA-N 2 1 295.387 0.104 20 0 CBADMP CC[N@@H+](CCNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000654420276 420177431 /nfs/dbraw/zinc/17/74/31/420177431.db2.gz XPFZEGPMVDHZEA-UONOGXRCSA-N 2 1 296.415 -0.069 20 0 CBADMP CC[NH+](CCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000654420276 420177435 /nfs/dbraw/zinc/17/74/35/420177435.db2.gz XPFZEGPMVDHZEA-UONOGXRCSA-N 2 1 296.415 -0.069 20 0 CBADMP CC[NH+](CCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000654420276 420177439 /nfs/dbraw/zinc/17/74/39/420177439.db2.gz XPFZEGPMVDHZEA-UONOGXRCSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH+]1CCN(C(=O)Cn2cc(C3CC[NH2+]CC3)nn2)CC1 ZINC000404925692 420227429 /nfs/dbraw/zinc/22/74/29/420227429.db2.gz JNMLHWIMJZLXIQ-UHFFFAOYSA-N 2 1 292.387 -0.481 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418578840 420241488 /nfs/dbraw/zinc/24/14/88/420241488.db2.gz JLNRSEJWEDNMAG-JHJVBQTASA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418578840 420241493 /nfs/dbraw/zinc/24/14/93/420241493.db2.gz JLNRSEJWEDNMAG-JHJVBQTASA-N 2 1 284.404 -0.036 20 0 CBADMP CC(C)[C@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C ZINC000655296543 420241414 /nfs/dbraw/zinc/24/14/14/420241414.db2.gz PACUAGYEDTUZSQ-YNEHKIRRSA-N 2 1 269.389 -0.150 20 0 CBADMP CC[NH2+]CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000418319556 420242099 /nfs/dbraw/zinc/24/20/99/420242099.db2.gz BVTJQMSTDYRHPO-NWDGAFQWSA-N 2 1 272.393 -0.308 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418578841 420242339 /nfs/dbraw/zinc/24/23/39/420242339.db2.gz JLNRSEJWEDNMAG-UPJWGTAASA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418578841 420242343 /nfs/dbraw/zinc/24/23/43/420242343.db2.gz JLNRSEJWEDNMAG-UPJWGTAASA-N 2 1 284.404 -0.036 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419103008 420243541 /nfs/dbraw/zinc/24/35/41/420243541.db2.gz LKFOQLDKJSHOTC-NSHDSACASA-N 2 1 270.377 -0.704 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419415110 420244876 /nfs/dbraw/zinc/24/48/76/420244876.db2.gz UQTXLHHMLUVXMV-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419862998 420245689 /nfs/dbraw/zinc/24/56/89/420245689.db2.gz DKQFJGKVXBEIEF-JHJVBQTASA-N 2 1 296.415 -0.027 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419526953 420245853 /nfs/dbraw/zinc/24/58/53/420245853.db2.gz ULWZHARJWQWGHU-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419719340 420246649 /nfs/dbraw/zinc/24/66/49/420246649.db2.gz CJNNCAFWTPWJOZ-CMPLNLGQSA-N 2 1 282.388 -0.417 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000419987127 420247458 /nfs/dbraw/zinc/24/74/58/420247458.db2.gz CYJXUGFZEPWYOE-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419903779 420247619 /nfs/dbraw/zinc/24/76/19/420247619.db2.gz WXCUZGAQQNSYMT-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420058723 420248349 /nfs/dbraw/zinc/24/83/49/420248349.db2.gz OMBBQJGQQBEJME-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)([NH3+])CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000420194188 420248683 /nfs/dbraw/zinc/24/86/83/420248683.db2.gz DVVVMKUUHUJKPF-UHFFFAOYSA-N 2 1 251.334 0.462 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000420152076 420250265 /nfs/dbraw/zinc/25/02/65/420250265.db2.gz DBPSANRCCPNSGI-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000420152076 420250270 /nfs/dbraw/zinc/25/02/70/420250270.db2.gz DBPSANRCCPNSGI-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000655448842 420250397 /nfs/dbraw/zinc/25/03/97/420250397.db2.gz ZLFLNIMCUHWQSQ-NWDGAFQWSA-N 2 1 268.405 -0.121 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000655448842 420250401 /nfs/dbraw/zinc/25/04/01/420250401.db2.gz ZLFLNIMCUHWQSQ-NWDGAFQWSA-N 2 1 268.405 -0.121 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000420270078 420251200 /nfs/dbraw/zinc/25/12/00/420251200.db2.gz JHIYADBRBZMIBT-SNVBAGLBSA-N 2 1 288.359 -0.440 20 0 CBADMP C[C@@H](CNC(=O)COC1(C)C[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487388 420254437 /nfs/dbraw/zinc/25/44/37/420254437.db2.gz DSLIPQWDKHTPMM-RWMBFGLXSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@@H](CNC(=O)COC1(C)C[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487388 420254441 /nfs/dbraw/zinc/25/44/41/420254441.db2.gz DSLIPQWDKHTPMM-RWMBFGLXSA-N 2 1 299.415 -0.021 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487522 420254549 /nfs/dbraw/zinc/25/45/49/420254549.db2.gz GUAUJFZQGUKNCM-FVCCEPFGSA-N 2 1 287.404 -0.036 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487522 420254553 /nfs/dbraw/zinc/25/45/53/420254553.db2.gz GUAUJFZQGUKNCM-FVCCEPFGSA-N 2 1 287.404 -0.036 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000423379968 420255813 /nfs/dbraw/zinc/25/58/13/420255813.db2.gz MJQAZPIPGHZVNA-NEPJUHHUSA-N 2 1 282.388 -0.655 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000423379968 420255814 /nfs/dbraw/zinc/25/58/14/420255814.db2.gz MJQAZPIPGHZVNA-NEPJUHHUSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487572 420255811 /nfs/dbraw/zinc/25/58/11/420255811.db2.gz IBAMNDRHQFJKCE-FQUUOJAGSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487572 420255816 /nfs/dbraw/zinc/25/58/16/420255816.db2.gz IBAMNDRHQFJKCE-FQUUOJAGSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487574 420255825 /nfs/dbraw/zinc/25/58/25/420255825.db2.gz IBAMNDRHQFJKCE-MQYQWHSLSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487574 420255827 /nfs/dbraw/zinc/25/58/27/420255827.db2.gz IBAMNDRHQFJKCE-MQYQWHSLSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@H](CNC(=O)CCOC1C[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487569 420255875 /nfs/dbraw/zinc/25/58/75/420255875.db2.gz HWXYZYWWPOJJQH-UPJWGTAASA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@H](CNC(=O)CCOC1C[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487569 420255877 /nfs/dbraw/zinc/25/58/77/420255877.db2.gz HWXYZYWWPOJJQH-UPJWGTAASA-N 2 1 299.415 -0.021 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000423386818 420256170 /nfs/dbraw/zinc/25/61/70/420256170.db2.gz JQUGGGQGOYSQHL-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH2+]C)C[C@H]1C ZINC000423386594 420256366 /nfs/dbraw/zinc/25/63/66/420256366.db2.gz LZIBZXMJFOJCJM-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH2+]C)C[C@H]1C ZINC000423386594 420256368 /nfs/dbraw/zinc/25/63/68/420256368.db2.gz LZIBZXMJFOJCJM-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423727205 420257379 /nfs/dbraw/zinc/25/73/79/420257379.db2.gz QTANVGSASGFHMH-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000430614985 420271884 /nfs/dbraw/zinc/27/18/84/420271884.db2.gz AQDKDEFCYPKCFB-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H]1CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC[N@@H+]1CCO ZINC000655924900 420278714 /nfs/dbraw/zinc/27/87/14/420278714.db2.gz SLYCPCCEYQJMLT-IUCAKERBSA-N 2 1 298.309 -0.416 20 0 CBADMP C[C@H]1CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC[N@H+]1CCO ZINC000655924900 420278720 /nfs/dbraw/zinc/27/87/20/420278720.db2.gz SLYCPCCEYQJMLT-IUCAKERBSA-N 2 1 298.309 -0.416 20 0 CBADMP C[C@@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000655962065 420282330 /nfs/dbraw/zinc/28/23/30/420282330.db2.gz HTEWWMNSZYINCM-ZOBORPQBSA-N 2 1 296.415 -0.165 20 0 CBADMP [NH3+]C[C@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C(F)(F)F ZINC000655933085 420282493 /nfs/dbraw/zinc/28/24/93/420282493.db2.gz GGWIPETYPRTDFX-YIZRAAEISA-N 2 1 296.293 -0.664 20 0 CBADMP C[C@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000655962063 420282514 /nfs/dbraw/zinc/28/25/14/420282514.db2.gz HTEWWMNSZYINCM-XDQVBPFNSA-N 2 1 296.415 -0.165 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000656342840 420308626 /nfs/dbraw/zinc/30/86/26/420308626.db2.gz FULZJGUNMIEDTH-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2C[C@@H]3COC[C@]3(C)C2)C1=O ZINC000656477941 420311987 /nfs/dbraw/zinc/31/19/87/420311987.db2.gz ODRYBYAFCNFPMM-XUJVJEKNSA-N 2 1 295.383 -0.356 20 0 CBADMP O=C1NC[C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCN2C1=O ZINC000516770652 420363085 /nfs/dbraw/zinc/36/30/85/420363085.db2.gz FWPMWCSGJPOCBR-GFCCVEGCSA-N 2 1 280.372 -0.981 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673518553 544875166 /nfs/dbraw/zinc/87/51/66/544875166.db2.gz CKBPJZIITTXMSU-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CN1CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCC1=O ZINC000656790775 420322137 /nfs/dbraw/zinc/32/21/37/420322137.db2.gz AELMQZWUFPPSFT-LBPRGKRZSA-N 2 1 282.388 -0.652 20 0 CBADMP Cn1cc(C[NH2+]CC2([NH3+])CCCC2)c(=O)n(C)c1=O ZINC000656788639 420322572 /nfs/dbraw/zinc/32/25/72/420322572.db2.gz WBZHWQDRZIKHOB-UHFFFAOYSA-N 2 1 266.345 -0.555 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656021606 420292714 /nfs/dbraw/zinc/29/27/14/420292714.db2.gz CYGZRVHKSIRYHT-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656021998 420293679 /nfs/dbraw/zinc/29/36/79/420293679.db2.gz RHBDHGWGYHAGJZ-QJPTWQEYSA-N 2 1 282.388 -0.417 20 0 CBADMP O=C(NCC1C[NH2+]C1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656022964 420293832 /nfs/dbraw/zinc/29/38/32/420293832.db2.gz PUSDIRLGGXFYLB-QWHCGFSZSA-N 2 1 294.399 -0.545 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656022114 420294023 /nfs/dbraw/zinc/29/40/23/420294023.db2.gz BYNNOMFIQOONJA-AGIUHOORSA-N 2 1 296.415 -0.027 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656028059 420295430 /nfs/dbraw/zinc/29/54/30/420295430.db2.gz IBGQHDGKBNBTEI-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP CC[C@@H]1CN(C[C@](C)(O)C[NH2+]C)CC[N@H+]1CCOC ZINC000517034841 420370503 /nfs/dbraw/zinc/37/05/03/420370503.db2.gz ABNLJXLBERWQRO-ZIAGYGMSSA-N 2 1 273.421 -0.001 20 0 CBADMP CC[C@H]1CN(C[C@](C)(O)C[NH2+]C)CC[N@H+]1CCOC ZINC000517034840 420370815 /nfs/dbraw/zinc/37/08/15/420370815.db2.gz ABNLJXLBERWQRO-UONOGXRCSA-N 2 1 273.421 -0.001 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000520251429 420390733 /nfs/dbraw/zinc/39/07/33/420390733.db2.gz CMNVGIQNENPMBD-AWEZNQCLSA-N 2 1 278.356 -0.236 20 0 CBADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[NH+](C)C ZINC000674246206 544898867 /nfs/dbraw/zinc/89/88/67/544898867.db2.gz GJTNZOIVKWWAOR-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000674289936 544902792 /nfs/dbraw/zinc/90/27/92/544902792.db2.gz WVRSLHBJYZRLNR-NSHDSACASA-N 2 1 270.377 -0.783 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000516865281 420365530 /nfs/dbraw/zinc/36/55/30/420365530.db2.gz YNSCCOZLNBLEFH-NEPJUHHUSA-N 2 1 292.387 -0.194 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000516865281 420365532 /nfs/dbraw/zinc/36/55/32/420365532.db2.gz YNSCCOZLNBLEFH-NEPJUHHUSA-N 2 1 292.387 -0.194 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCC(OC)CC2)C1 ZINC000674324541 544904610 /nfs/dbraw/zinc/90/46/10/544904610.db2.gz FHNNAOHDESWRPD-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCC(OC)CC2)C1 ZINC000674324541 544904613 /nfs/dbraw/zinc/90/46/13/544904613.db2.gz FHNNAOHDESWRPD-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+]1CC[C@@H](CNC(=O)CN2CC[NH+](C)CC2)C1 ZINC000673645176 544882469 /nfs/dbraw/zinc/88/24/69/544882469.db2.gz WKWFCQKKMXKIJI-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)CN2CC[NH+](C)CC2)C1 ZINC000673645176 544882474 /nfs/dbraw/zinc/88/24/74/544882474.db2.gz WKWFCQKKMXKIJI-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP C[NH+](C)C(C)(C)CNC(=O)CN1CC[NH+](C)CC1 ZINC000673631214 544882543 /nfs/dbraw/zinc/88/25/43/544882543.db2.gz SLOHJQGHIIXMAC-UHFFFAOYSA-N 2 1 256.394 -0.310 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCOC)C2)C1 ZINC000673662640 544883557 /nfs/dbraw/zinc/88/35/57/544883557.db2.gz SLWMYVNOGHEFMU-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCOC)C2)C1 ZINC000673662640 544883561 /nfs/dbraw/zinc/88/35/61/544883561.db2.gz SLWMYVNOGHEFMU-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](CCOC)C2)C1 ZINC000673662640 544883566 /nfs/dbraw/zinc/88/35/66/544883566.db2.gz SLWMYVNOGHEFMU-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](CCOC)C2)C1 ZINC000673662640 544883570 /nfs/dbraw/zinc/88/35/70/544883570.db2.gz SLWMYVNOGHEFMU-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)CN2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000674689004 544912206 /nfs/dbraw/zinc/91/22/06/544912206.db2.gz GNYBQBYYEDICQB-QWHCGFSZSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)CN2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000674689004 544912209 /nfs/dbraw/zinc/91/22/09/544912209.db2.gz GNYBQBYYEDICQB-QWHCGFSZSA-N 2 1 280.416 -0.025 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000677887000 544989757 /nfs/dbraw/zinc/98/97/57/544989757.db2.gz YQHPPPOHHBBJGM-GJZGRUSLSA-N 2 1 292.427 -0.023 20 0 CBADMP O=C(N[C@H]1CC[NH+](CC2CC2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677887000 544989760 /nfs/dbraw/zinc/98/97/60/544989760.db2.gz YQHPPPOHHBBJGM-GJZGRUSLSA-N 2 1 292.427 -0.023 20 0 CBADMP O=C(N[C@H]1CC[NH+](CC2CC2)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677887000 544989765 /nfs/dbraw/zinc/98/97/65/544989765.db2.gz YQHPPPOHHBBJGM-GJZGRUSLSA-N 2 1 292.427 -0.023 20 0 CBADMP [NH3+][C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[C@H]1F ZINC000659423719 420418986 /nfs/dbraw/zinc/41/89/86/420418986.db2.gz MYHRGHHOXDYJKK-VXGBXAGGSA-N 2 1 288.367 -0.211 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659449140 420419804 /nfs/dbraw/zinc/41/98/04/420419804.db2.gz SNQMAKAIEQXXDV-GHMZBOCLSA-N 2 1 276.356 -0.355 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659448851 420420433 /nfs/dbraw/zinc/42/04/33/420420433.db2.gz JVNJRVGIUXHBGO-UHFFFAOYSA-N 2 1 260.382 -0.057 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659448929 420420818 /nfs/dbraw/zinc/42/08/18/420420818.db2.gz NOURKEHOSRZZLB-UHFFFAOYSA-N 2 1 270.377 -0.384 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000659461151 420422226 /nfs/dbraw/zinc/42/22/26/420422226.db2.gz XFHRJMXYRRKUNF-CHWSQXEVSA-N 2 1 285.436 -0.223 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000659461152 420422314 /nfs/dbraw/zinc/42/23/14/420422314.db2.gz XFHRJMXYRRKUNF-OLZOCXBDSA-N 2 1 285.436 -0.223 20 0 CBADMP C[NH+](C)C[C@@H]1CCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000133763156 230172264 /nfs/dbraw/zinc/17/22/64/230172264.db2.gz QFVYCYMCZMMZRW-ZDUSSCGKSA-N 2 1 268.405 -0.356 20 0 CBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1C[NH2+]CCO1 ZINC000251017833 230190734 /nfs/dbraw/zinc/19/07/34/230190734.db2.gz DNSGQYWHXRDMLB-ZYHUDNBSSA-N 2 1 253.346 -0.425 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000677868609 544986496 /nfs/dbraw/zinc/98/64/96/544986496.db2.gz JDGFAUPQIFTGJC-STQMWFEESA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000677868609 544986500 /nfs/dbraw/zinc/98/65/00/544986500.db2.gz JDGFAUPQIFTGJC-STQMWFEESA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000677868609 544986504 /nfs/dbraw/zinc/98/65/04/544986504.db2.gz JDGFAUPQIFTGJC-STQMWFEESA-N 2 1 266.389 -0.413 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000681112577 545043806 /nfs/dbraw/zinc/04/38/06/545043806.db2.gz DXMKHGILPDTUCS-GFCCVEGCSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000681112577 545043808 /nfs/dbraw/zinc/04/38/08/545043808.db2.gz DXMKHGILPDTUCS-GFCCVEGCSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000681112577 545043810 /nfs/dbraw/zinc/04/38/10/545043810.db2.gz DXMKHGILPDTUCS-GFCCVEGCSA-N 2 1 272.393 -0.306 20 0 CBADMP [NH3+]C1(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCC1 ZINC000659575281 420435128 /nfs/dbraw/zinc/43/51/28/420435128.db2.gz LCQYBRPRCRPYDF-NWDGAFQWSA-N 2 1 282.388 -0.282 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659608456 420437111 /nfs/dbraw/zinc/43/71/11/420437111.db2.gz DDKPIUVIICQNFF-VXGBXAGGSA-N 2 1 270.377 -0.160 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000356903333 230241472 /nfs/dbraw/zinc/24/14/72/230241472.db2.gz MWLQHPMIILNMEF-RWMBFGLXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000356903333 230241476 /nfs/dbraw/zinc/24/14/76/230241476.db2.gz MWLQHPMIILNMEF-RWMBFGLXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000356903333 230241479 /nfs/dbraw/zinc/24/14/79/230241479.db2.gz MWLQHPMIILNMEF-RWMBFGLXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000356903333 230241485 /nfs/dbraw/zinc/24/14/85/230241485.db2.gz MWLQHPMIILNMEF-RWMBFGLXSA-N 2 1 269.389 -0.006 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000376747522 230260944 /nfs/dbraw/zinc/26/09/44/230260944.db2.gz HRRBGLABEJYTFU-ZDUSSCGKSA-N 2 1 287.404 -0.210 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000376747522 230260948 /nfs/dbraw/zinc/26/09/48/230260948.db2.gz HRRBGLABEJYTFU-ZDUSSCGKSA-N 2 1 287.404 -0.210 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000376747522 230260954 /nfs/dbraw/zinc/26/09/54/230260954.db2.gz HRRBGLABEJYTFU-ZDUSSCGKSA-N 2 1 287.404 -0.210 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659531896 420429623 /nfs/dbraw/zinc/42/96/23/420429623.db2.gz GDMLJDNEYBXICK-RNFRBKRXSA-N 2 1 254.256 -0.339 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659552930 420433437 /nfs/dbraw/zinc/43/34/37/420433437.db2.gz GWEUOEOVIFGOPE-NWDGAFQWSA-N 2 1 270.377 -0.242 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000680834142 545040780 /nfs/dbraw/zinc/04/07/80/545040780.db2.gz BJKJNZPJAMNHAZ-HIFRSBDPSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000680834142 545040782 /nfs/dbraw/zinc/04/07/82/545040782.db2.gz BJKJNZPJAMNHAZ-HIFRSBDPSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000680834142 545040783 /nfs/dbraw/zinc/04/07/83/545040783.db2.gz BJKJNZPJAMNHAZ-HIFRSBDPSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000659750952 420467265 /nfs/dbraw/zinc/46/72/65/420467265.db2.gz DZMKUYFXGOESDO-SRVKXCTJSA-N 2 1 282.388 -0.737 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000659750874 420467601 /nfs/dbraw/zinc/46/76/01/420467601.db2.gz ICRMADRHVHDEBX-JTQLQIEISA-N 2 1 270.377 -0.737 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000659758219 420469025 /nfs/dbraw/zinc/46/90/25/420469025.db2.gz ZLIBDDLRCFCPGV-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000659756857 420469041 /nfs/dbraw/zinc/46/90/41/420469041.db2.gz VPQPOTNXTZZUCY-RYUDHWBXSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000659756857 420469042 /nfs/dbraw/zinc/46/90/42/420469042.db2.gz VPQPOTNXTZZUCY-RYUDHWBXSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000659758027 420469239 /nfs/dbraw/zinc/46/92/39/420469239.db2.gz XFRSDHXQRUNLSL-WOPDTQHZSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000683914859 545068778 /nfs/dbraw/zinc/06/87/78/545068778.db2.gz YRCYEURXQDPDHW-GXTWGEPZSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000683914859 545068779 /nfs/dbraw/zinc/06/87/79/545068779.db2.gz YRCYEURXQDPDHW-GXTWGEPZSA-N 2 1 285.388 -0.768 20 0 CBADMP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000659613922 420437582 /nfs/dbraw/zinc/43/75/82/420437582.db2.gz OEEXBBBJHQBDJS-OWYJLGKBSA-N 2 1 296.415 -0.116 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659608452 420437913 /nfs/dbraw/zinc/43/79/13/420437913.db2.gz DDKPIUVIICQNFF-NWDGAFQWSA-N 2 1 270.377 -0.160 20 0 CBADMP C[NH+]1CCN(CC(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000684502004 545075336 /nfs/dbraw/zinc/07/53/36/545075336.db2.gz FCYOVNJJNJAKDI-UHFFFAOYSA-N 2 1 266.389 -0.388 20 0 CBADMP C[NH+]1CCN(CC(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC000684502004 545075337 /nfs/dbraw/zinc/07/53/37/545075337.db2.gz FCYOVNJJNJAKDI-UHFFFAOYSA-N 2 1 266.389 -0.388 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)/C=C/C[NH+](C)C)CC1 ZINC000491852425 230331535 /nfs/dbraw/zinc/33/15/35/230331535.db2.gz SXXPSNUGKZBORS-AATRIKPKSA-N 2 1 296.415 -0.227 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C=C\C[NH+](C)C ZINC000491844734 230331675 /nfs/dbraw/zinc/33/16/75/230331675.db2.gz IWWMLLAFZIUOAH-FJOGCWAESA-N 2 1 254.378 -0.534 20 0 CBADMP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000659622360 420438346 /nfs/dbraw/zinc/43/83/46/420438346.db2.gz PGENFWHOPAEIDB-YPMHNXCESA-N 2 1 272.393 -0.274 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+](CCOC)CC1 ZINC000659640978 420442170 /nfs/dbraw/zinc/44/21/70/420442170.db2.gz ZSPLIJUXQGIQDY-LLVKDONJSA-N 2 1 258.366 -0.432 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000659673166 420446282 /nfs/dbraw/zinc/44/62/82/420446282.db2.gz HSSBGZUUSYDBMP-QWRGUYRKSA-N 2 1 296.371 -0.277 20 0 CBADMP Cc1cc(NC(=O)CC[NH2+]C[C@H](O)C[NH+](C)C)no1 ZINC000567111098 420447110 /nfs/dbraw/zinc/44/71/10/420447110.db2.gz IFLZJONEFPNCOI-JTQLQIEISA-N 2 1 270.333 -0.176 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@H+]1C ZINC000659679537 420447423 /nfs/dbraw/zinc/44/74/23/420447423.db2.gz ZIPXYXFALHABKP-DILZAHMFSA-N 2 1 294.399 -0.465 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000659681362 420447735 /nfs/dbraw/zinc/44/77/35/420447735.db2.gz GVXVEPRNCOBZOH-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCCC1 ZINC000659686775 420449145 /nfs/dbraw/zinc/44/91/45/420449145.db2.gz JNLXSXVLSVQFIY-LLVKDONJSA-N 2 1 294.399 -0.273 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCn1cc[nH+]c1C ZINC000659690623 420450041 /nfs/dbraw/zinc/45/00/41/420450041.db2.gz PGZXKNLMSCROPZ-JTQLQIEISA-N 2 1 281.360 -0.578 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659691097 420450168 /nfs/dbraw/zinc/45/01/68/420450168.db2.gz HLUHKMZTYLQTQQ-NSHDSACASA-N 2 1 272.393 -0.441 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000659692727 420450191 /nfs/dbraw/zinc/45/01/91/420450191.db2.gz WKMUXIUFZCPOEH-SECBINFHSA-N 2 1 267.333 -0.968 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000659694214 420451328 /nfs/dbraw/zinc/45/13/28/420451328.db2.gz RTVJNSHKLSVEEQ-GHMZBOCLSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659703297 420453031 /nfs/dbraw/zinc/45/30/31/420453031.db2.gz YEAMTFHOYXOERZ-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000659709263 420453748 /nfs/dbraw/zinc/45/37/48/420453748.db2.gz GMMMKCZGUFOFAE-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH2+]C)C1 ZINC000659709884 420454033 /nfs/dbraw/zinc/45/40/33/420454033.db2.gz JSNYCECDROQUON-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH3+])C1 ZINC000659709658 420454066 /nfs/dbraw/zinc/45/40/66/420454066.db2.gz JRBFHMPKDJNZTD-VIFPVBQESA-N 2 1 256.350 -0.950 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000659712818 420455796 /nfs/dbraw/zinc/45/57/96/420455796.db2.gz MFDQWWMGQUTPPL-RYUDHWBXSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659715531 420456691 /nfs/dbraw/zinc/45/66/91/420456691.db2.gz PTMXBUJDMUQOJJ-VHSXEESVSA-N 2 1 270.377 -0.561 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000659715383 420456733 /nfs/dbraw/zinc/45/67/33/420456733.db2.gz SYXVVRUBYCZENQ-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH2+]CC)C1 ZINC000659714799 420456771 /nfs/dbraw/zinc/45/67/71/420456771.db2.gz WBCYKJVCSNKVMC-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000659715456 420456897 /nfs/dbraw/zinc/45/68/97/420456897.db2.gz PFQCAWYSQVBCPG-NXEZZACHSA-N 2 1 256.350 -0.950 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000659718359 420457993 /nfs/dbraw/zinc/45/79/93/420457993.db2.gz PRVREBXYMASPTD-RYUDHWBXSA-N 2 1 282.388 -0.560 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000659722125 420458988 /nfs/dbraw/zinc/45/89/88/420458988.db2.gz MQSKRJJUHFAKIM-UPJWGTAASA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000659720269 420459219 /nfs/dbraw/zinc/45/92/19/420459219.db2.gz RXRZQZUPIIPKMH-NEPJUHHUSA-N 2 1 296.415 -0.171 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000659724743 420459981 /nfs/dbraw/zinc/45/99/81/420459981.db2.gz QPQXXXVFQWANSS-AGIUHOORSA-N 2 1 296.415 -0.170 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000659726231 420460021 /nfs/dbraw/zinc/46/00/21/420460021.db2.gz BJEWHXKHJWXZFK-LBPRGKRZSA-N 2 1 286.420 -0.195 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000659729693 420461306 /nfs/dbraw/zinc/46/13/06/420461306.db2.gz TUMCILMMKIHNCS-WOPDTQHZSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659732482 420462437 /nfs/dbraw/zinc/46/24/37/420462437.db2.gz OMJKJZMWVNEKLM-LBPRGKRZSA-N 2 1 296.415 -0.025 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000659738277 420462979 /nfs/dbraw/zinc/46/29/79/420462979.db2.gz DGKIDVFMPMNNHF-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000659738223 420463526 /nfs/dbraw/zinc/46/35/26/420463526.db2.gz BZJKEEPYVWTTQR-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000659738542 420463868 /nfs/dbraw/zinc/46/38/68/420463868.db2.gz FWTAQEUIFCPSFP-LBPRGKRZSA-N 2 1 282.388 -0.463 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)C1 ZINC000659739724 420464513 /nfs/dbraw/zinc/46/45/13/420464513.db2.gz YLNMZRMSJVWCAE-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742034 420464567 /nfs/dbraw/zinc/46/45/67/420464567.db2.gz YOCUITYMVZVBHU-MQYJIDSJSA-N 2 1 294.399 -0.593 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000659739613 420464722 /nfs/dbraw/zinc/46/47/22/420464722.db2.gz XUDSXONZICERBV-CYBMUJFWSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)C1 ZINC000659739721 420465355 /nfs/dbraw/zinc/46/53/55/420465355.db2.gz YLNMZRMSJVWCAE-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCN2CCOC[C@H]2C1 ZINC000660274438 420488007 /nfs/dbraw/zinc/48/80/07/420488007.db2.gz RUNNVJHEEJVBJC-ZIAGYGMSSA-N 2 1 271.405 -0.296 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(C(N)=O)C1 ZINC000660460864 420491418 /nfs/dbraw/zinc/49/14/18/420491418.db2.gz JFPIPROIHFLPHV-DGCLKSJQSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000660460864 420491420 /nfs/dbraw/zinc/49/14/20/420491420.db2.gz JFPIPROIHFLPHV-DGCLKSJQSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000660460864 420491422 /nfs/dbraw/zinc/49/14/22/420491422.db2.gz JFPIPROIHFLPHV-DGCLKSJQSA-N 2 1 257.378 -0.115 20 0 CBADMP Cc1nn(C)c(C)c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000517759533 260241825 /nfs/dbraw/zinc/24/18/25/260241825.db2.gz OWVXAOKVWJRIGQ-YPMHNXCESA-N 2 1 277.372 -0.219 20 0 CBADMP Cc1nn(C)c(C)c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000517759533 260241826 /nfs/dbraw/zinc/24/18/26/260241826.db2.gz OWVXAOKVWJRIGQ-YPMHNXCESA-N 2 1 277.372 -0.219 20 0 CBADMP CC[NH+]1CCC(C[NH2+]C[C@H](O)CN2CCN(C)CC2)CC1 ZINC000517922054 260318916 /nfs/dbraw/zinc/31/89/16/260318916.db2.gz DGLHYWIANWXXGG-INIZCTEOSA-N 2 1 298.475 -0.084 20 0 CBADMP [NH3+]Cc1nc(C(=O)NCCCN2CC[NH2+]CC2)cs1 ZINC000517932687 260320356 /nfs/dbraw/zinc/32/03/56/260320356.db2.gz UDQKSUGSKJEUNX-UHFFFAOYSA-N 2 1 283.401 -0.373 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000518023478 260335785 /nfs/dbraw/zinc/33/57/85/260335785.db2.gz PSOBAPPEJXSPFB-UXIGCNINSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000518023478 260335787 /nfs/dbraw/zinc/33/57/87/260335787.db2.gz PSOBAPPEJXSPFB-UXIGCNINSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000518023478 260335790 /nfs/dbraw/zinc/33/57/90/260335790.db2.gz PSOBAPPEJXSPFB-UXIGCNINSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000518023479 260336065 /nfs/dbraw/zinc/33/60/65/260336065.db2.gz PSOBAPPEJXSPFB-ZLDLUXBVSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000518023479 260336066 /nfs/dbraw/zinc/33/60/66/260336066.db2.gz PSOBAPPEJXSPFB-ZLDLUXBVSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000518023479 260336067 /nfs/dbraw/zinc/33/60/67/260336067.db2.gz PSOBAPPEJXSPFB-ZLDLUXBVSA-N 2 1 296.415 -0.165 20 0 CBADMP CC[N@@H+](CCNC(=O)NCC(=O)N1CC[NH2+]CC1)C(C)C ZINC000518343792 260380671 /nfs/dbraw/zinc/38/06/71/260380671.db2.gz CAYQPYVHXLBRSR-UHFFFAOYSA-N 2 1 299.419 -0.552 20 0 CBADMP C[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000519117893 265323176 /nfs/dbraw/zinc/32/31/76/265323176.db2.gz JNPPVSMIYOVFQJ-NSHDSACASA-N 2 1 297.403 -0.800 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[NH+](CCCC(=O)NC)CC1 ZINC000519290154 265386874 /nfs/dbraw/zinc/38/68/74/265386874.db2.gz GTIYZQKUCRMMJV-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000520409786 265805376 /nfs/dbraw/zinc/80/53/76/265805376.db2.gz XBLQHNUVIRWIML-QJPTWQEYSA-N 2 1 256.394 -0.136 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CC[NH3+] ZINC000237027649 269579662 /nfs/dbraw/zinc/57/96/62/269579662.db2.gz PWALROUMSREKRN-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP C[N@@H+]1CCN(C(=O)CNC(=O)C[NH3+])[C@H](c2ccccc2)C1 ZINC000312842653 269583837 /nfs/dbraw/zinc/58/38/37/269583837.db2.gz HQOXCYXBWPRCQF-ZDUSSCGKSA-N 2 1 290.367 -0.423 20 0 CBADMP C[N@H+]1CCN(C(=O)CNC(=O)C[NH3+])[C@H](c2ccccc2)C1 ZINC000312842653 269583838 /nfs/dbraw/zinc/58/38/38/269583838.db2.gz HQOXCYXBWPRCQF-ZDUSSCGKSA-N 2 1 290.367 -0.423 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000430614982 269590336 /nfs/dbraw/zinc/59/03/36/269590336.db2.gz AQDKDEFCYPKCFB-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000419852357 276029485 /nfs/dbraw/zinc/02/94/85/276029485.db2.gz QIYSUKSNJFXENJ-CYBMUJFWSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH2+]CC2)CC[N@H+]1C ZINC000419852357 276029486 /nfs/dbraw/zinc/02/94/86/276029486.db2.gz QIYSUKSNJFXENJ-CYBMUJFWSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC[N@@H+]1C ZINC000420058944 276029775 /nfs/dbraw/zinc/02/97/75/276029775.db2.gz JHRXDOMHZKKQPB-CHWSQXEVSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC[N@H+]1C ZINC000420058944 276029776 /nfs/dbraw/zinc/02/97/76/276029776.db2.gz JHRXDOMHZKKQPB-CHWSQXEVSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[NH+](CC)CC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000340965076 276094268 /nfs/dbraw/zinc/09/42/68/276094268.db2.gz WKJQGAXCUFHKQP-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000343287754 276170949 /nfs/dbraw/zinc/17/09/49/276170949.db2.gz BLBNJUWMLUQRFT-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343287754 276170950 /nfs/dbraw/zinc/17/09/50/276170950.db2.gz BLBNJUWMLUQRFT-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343287754 276170951 /nfs/dbraw/zinc/17/09/51/276170951.db2.gz BLBNJUWMLUQRFT-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000423611649 276307198 /nfs/dbraw/zinc/30/71/98/276307198.db2.gz SLRQSQKBLBUBOY-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](CC(N)=O)C1)C1CC1 ZINC000685585271 545081737 /nfs/dbraw/zinc/08/17/37/545081737.db2.gz DYLUBOSPDYAKFE-CMPLNLGQSA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](CC(N)=O)C1)C1CC1 ZINC000685585271 545081739 /nfs/dbraw/zinc/08/17/39/545081739.db2.gz DYLUBOSPDYAKFE-CMPLNLGQSA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](CC(N)=O)C1)C1CC1 ZINC000685585271 545081741 /nfs/dbraw/zinc/08/17/41/545081741.db2.gz DYLUBOSPDYAKFE-CMPLNLGQSA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](CC(N)=O)C1)C1CC1 ZINC000685585271 545081742 /nfs/dbraw/zinc/08/17/42/545081742.db2.gz DYLUBOSPDYAKFE-CMPLNLGQSA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](CC(N)=O)C1)C1CC1 ZINC000685585273 545082147 /nfs/dbraw/zinc/08/21/47/545082147.db2.gz DYLUBOSPDYAKFE-PWSUYJOCSA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](CC(N)=O)C1)C1CC1 ZINC000685585273 545082148 /nfs/dbraw/zinc/08/21/48/545082148.db2.gz DYLUBOSPDYAKFE-PWSUYJOCSA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](CC(N)=O)C1)C1CC1 ZINC000685585273 545082149 /nfs/dbraw/zinc/08/21/49/545082149.db2.gz DYLUBOSPDYAKFE-PWSUYJOCSA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](CC(N)=O)C1)C1CC1 ZINC000685585273 545082150 /nfs/dbraw/zinc/08/21/50/545082150.db2.gz DYLUBOSPDYAKFE-PWSUYJOCSA-N 2 1 255.362 -0.361 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074217 277004530 /nfs/dbraw/zinc/00/45/30/277004530.db2.gz SARHKQMKJTWZIQ-VHSXEESVSA-N 2 1 256.350 -0.109 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000351864816 277044297 /nfs/dbraw/zinc/04/42/97/277044297.db2.gz ZLBMXUYPIYJBSB-FPMFFAJLSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000351864816 277044298 /nfs/dbraw/zinc/04/42/98/277044298.db2.gz ZLBMXUYPIYJBSB-FPMFFAJLSA-N 2 1 296.415 -0.217 20 0 CBADMP COC1(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)CCOCC1 ZINC000428879605 277187880 /nfs/dbraw/zinc/18/78/80/277187880.db2.gz HURDRNFIFUNFMM-GFCCVEGCSA-N 2 1 258.362 -0.162 20 0 CBADMP COC1(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)CCOCC1 ZINC000428879605 277187881 /nfs/dbraw/zinc/18/78/81/277187881.db2.gz HURDRNFIFUNFMM-GFCCVEGCSA-N 2 1 258.362 -0.162 20 0 CBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000246184944 277221426 /nfs/dbraw/zinc/22/14/26/277221426.db2.gz NPULZTVKUVVVIF-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000246184944 277221427 /nfs/dbraw/zinc/22/14/27/277221427.db2.gz NPULZTVKUVVVIF-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000246184944 277221428 /nfs/dbraw/zinc/22/14/28/277221428.db2.gz NPULZTVKUVVVIF-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000246184944 277221429 /nfs/dbraw/zinc/22/14/29/277221429.db2.gz NPULZTVKUVVVIF-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430901672 277222551 /nfs/dbraw/zinc/22/25/51/277222551.db2.gz VXDJXGBUGGQLBO-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000111695848 277236989 /nfs/dbraw/zinc/23/69/89/277236989.db2.gz CSONEIHTUJYBQY-LPEHRKFASA-N 2 1 256.350 -0.110 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000111695848 277236991 /nfs/dbraw/zinc/23/69/91/277236991.db2.gz CSONEIHTUJYBQY-LPEHRKFASA-N 2 1 256.350 -0.110 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000419328891 277266966 /nfs/dbraw/zinc/26/69/66/277266966.db2.gz FYJIQZSHCQGXRJ-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000419584462 277295448 /nfs/dbraw/zinc/29/54/48/277295448.db2.gz KVBOVYXNCDLOQH-GHMZBOCLSA-N 2 1 282.388 -0.594 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000342766826 277319822 /nfs/dbraw/zinc/31/98/22/277319822.db2.gz XVVGIOYSMOAVKB-NEPJUHHUSA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000342766826 277319824 /nfs/dbraw/zinc/31/98/24/277319824.db2.gz XVVGIOYSMOAVKB-NEPJUHHUSA-N 2 1 283.372 -0.036 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1 ZINC000419846312 277399747 /nfs/dbraw/zinc/39/97/47/277399747.db2.gz HAUFFMULNIPECP-UHFFFAOYSA-N 2 1 296.415 -0.345 20 0 CBADMP CC1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C[NH2+]C1 ZINC000423536158 278172551 /nfs/dbraw/zinc/17/25/51/278172551.db2.gz GVJARYFMUVAUMY-NSHDSACASA-N 2 1 280.372 -0.981 20 0 CBADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000430729293 278222202 /nfs/dbraw/zinc/22/22/02/278222202.db2.gz GGKNDMNJTLIYPF-WDEREUQCSA-N 2 1 255.362 -0.131 20 0 CBADMP C[C@@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000357181142 278243287 /nfs/dbraw/zinc/24/32/87/278243287.db2.gz WTMLSHTXOQVDHO-UWVGGRQHSA-N 2 1 256.350 -0.963 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000070174642 278313597 /nfs/dbraw/zinc/31/35/97/278313597.db2.gz AIFNRFYWCUKROI-GHMZBOCLSA-N 2 1 280.372 -0.357 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000070174642 278313601 /nfs/dbraw/zinc/31/36/01/278313601.db2.gz AIFNRFYWCUKROI-GHMZBOCLSA-N 2 1 280.372 -0.357 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000355486576 278365379 /nfs/dbraw/zinc/36/53/79/278365379.db2.gz QJZZFJXWVXYIEI-UONOGXRCSA-N 2 1 297.447 -0.032 20 0 CBADMP C[C@H]1CC[NH+](C)CCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000355486576 278365381 /nfs/dbraw/zinc/36/53/81/278365381.db2.gz QJZZFJXWVXYIEI-UONOGXRCSA-N 2 1 297.447 -0.032 20 0 CBADMP C[C@H]1CC[NH+](C)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000355486576 278365382 /nfs/dbraw/zinc/36/53/82/278365382.db2.gz QJZZFJXWVXYIEI-UONOGXRCSA-N 2 1 297.447 -0.032 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)C[NH2+]C)CC1 ZINC000236845134 278831966 /nfs/dbraw/zinc/83/19/66/278831966.db2.gz BAPADFREQJUPKD-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000459859926 278885441 /nfs/dbraw/zinc/88/54/41/278885441.db2.gz GDJFEYRESRYHGO-UHFFFAOYSA-N 2 1 298.431 -0.193 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1CC1 ZINC000419509226 279189466 /nfs/dbraw/zinc/18/94/66/279189466.db2.gz DSWXUXDWXSPSCA-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)C1CC1 ZINC000419526086 279190182 /nfs/dbraw/zinc/19/01/82/279190182.db2.gz SDYQILIWVPZLAT-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419593079 279268399 /nfs/dbraw/zinc/26/83/99/279268399.db2.gz SNFPWNKUGGDGOI-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419578452 279279190 /nfs/dbraw/zinc/27/91/90/279279190.db2.gz DTVJKOJXDFRNBD-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351522901 279297257 /nfs/dbraw/zinc/29/72/57/279297257.db2.gz MMIPCGXYWPYNTL-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420040320 279307091 /nfs/dbraw/zinc/30/70/91/279307091.db2.gz OXQSWGLBEXBZFI-NEPJUHHUSA-N 2 1 282.388 -0.560 20 0 CBADMP CCN1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@H](C)C1=O ZINC000414743808 279360301 /nfs/dbraw/zinc/36/03/01/279360301.db2.gz PAVZEAOSJUNLBS-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN1CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@H](C)C1=O ZINC000414743808 279360303 /nfs/dbraw/zinc/36/03/03/279360303.db2.gz PAVZEAOSJUNLBS-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000353380802 279388977 /nfs/dbraw/zinc/38/89/77/279388977.db2.gz DHCVDXNCJODITB-UPJWGTAASA-N 2 1 267.373 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000353380802 279388979 /nfs/dbraw/zinc/38/89/79/279388979.db2.gz DHCVDXNCJODITB-UPJWGTAASA-N 2 1 267.373 -0.225 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000357284419 279389342 /nfs/dbraw/zinc/38/93/42/279389342.db2.gz HUEHFRBZHHMZGU-KBPBESRZSA-N 2 1 296.415 -0.787 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000357284419 279389345 /nfs/dbraw/zinc/38/93/45/279389345.db2.gz HUEHFRBZHHMZGU-KBPBESRZSA-N 2 1 296.415 -0.787 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000193638728 279391574 /nfs/dbraw/zinc/39/15/74/279391574.db2.gz XFRFUMFYBFHMGI-UTUOFQBUSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000193638728 279391576 /nfs/dbraw/zinc/39/15/76/279391576.db2.gz XFRFUMFYBFHMGI-UTUOFQBUSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000370774480 288130943 /nfs/dbraw/zinc/13/09/43/288130943.db2.gz ROICQMRQQYKBCG-JLLWLGSASA-N 2 1 253.346 -0.426 20 0 CBADMP C[C@@H]1C[N@H+](CCCCNC(=O)COC2C[NH2+]C2)C[C@H](C)O1 ZINC000430718660 288158627 /nfs/dbraw/zinc/15/86/27/288158627.db2.gz YACQFOBWHWDBLX-BETUJISGSA-N 2 1 299.415 -0.020 20 0 CBADMP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365326973 280150780 /nfs/dbraw/zinc/15/07/80/280150780.db2.gz OLYGNUTZLPHTOM-SDDRHHMPSA-N 2 1 285.413 -0.641 20 0 CBADMP CC(C)[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000430764926 280241500 /nfs/dbraw/zinc/24/15/00/280241500.db2.gz UQECUHTTXLXUSA-KBPBESRZSA-N 2 1 299.415 -0.162 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000418376219 280285572 /nfs/dbraw/zinc/28/55/72/280285572.db2.gz FWLGXGVZLRTWFT-VXGBXAGGSA-N 2 1 299.419 -0.391 20 0 CBADMP CC[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[N@H+]1C[C@@H](C)O ZINC000168008925 280351533 /nfs/dbraw/zinc/35/15/33/280351533.db2.gz IUNGYQVFXQQRRO-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP 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 280360934 /nfs/dbraw/zinc/36/09/34/280360934.db2.gz PZCMQSRJJSAYKU-MEBFFEOJSA-N 2 1 296.415 -0.309 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000094459835 288303665 /nfs/dbraw/zinc/30/36/65/288303665.db2.gz WJLMKNXWCWQJID-UTUOFQBUSA-N 2 1 253.346 -0.330 20 0 CBADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000343554018 288879791 /nfs/dbraw/zinc/87/97/91/288879791.db2.gz VOBHDOQTCOVGJP-OUCADQQQSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)CCC[N@H+]1C ZINC000347799529 289049255 /nfs/dbraw/zinc/04/92/55/289049255.db2.gz ZMQZNFKKIQWYMJ-FRRDWIJNSA-N 2 1 296.415 -0.252 20 0 CBADMP CN(CCC[N@@H+](C)CCNS(C)(=O)=O)CC[NH+](C)C ZINC000344024457 289132222 /nfs/dbraw/zinc/13/22/22/289132222.db2.gz INEYFTORRJPMFX-UHFFFAOYSA-N 2 1 294.465 -0.649 20 0 CBADMP C[C@@]1(C(N)=O)CC[NH+](CCC[N@@H+]2CC[C@@](C)(C(N)=O)C2)C1 ZINC000361565849 289156308 /nfs/dbraw/zinc/15/63/08/289156308.db2.gz QQKXXULVEQLPSU-HUUCEWRRSA-N 2 1 296.415 -0.229 20 0 CBADMP C[C@@]1(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CC[NH2+]C1 ZINC000262022147 289163587 /nfs/dbraw/zinc/16/35/87/289163587.db2.gz NGBIEJKNFOHLFN-VXGBXAGGSA-N 2 1 275.418 -0.014 20 0 CBADMP C[C@@]1(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CC[NH2+]C1 ZINC000262022147 289163590 /nfs/dbraw/zinc/16/35/90/289163590.db2.gz NGBIEJKNFOHLFN-VXGBXAGGSA-N 2 1 275.418 -0.014 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430662301 289271300 /nfs/dbraw/zinc/27/13/00/289271300.db2.gz HLZOHCOZQJBHGU-JHJVBQTASA-N 2 1 296.415 -0.231 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430662301 289271303 /nfs/dbraw/zinc/27/13/03/289271303.db2.gz HLZOHCOZQJBHGU-JHJVBQTASA-N 2 1 296.415 -0.231 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC(=O)NC(N)=O ZINC000441259806 289334006 /nfs/dbraw/zinc/33/40/06/289334006.db2.gz MCEDVZAQMWCUFP-WOPDTQHZSA-N 2 1 298.387 -0.245 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000430724000 290093103 /nfs/dbraw/zinc/09/31/03/290093103.db2.gz UNWGGNOJHHXRSO-AVGNSLFASA-N 2 1 285.388 -0.722 20 0 CBADMP 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 290101049 /nfs/dbraw/zinc/10/10/49/290101049.db2.gz RVVHYBKWCYAFQR-JZRPKSSGSA-N 2 1 282.388 -0.699 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@H]1C ZINC000246707557 290110088 /nfs/dbraw/zinc/11/00/88/290110088.db2.gz WSLDXNHBOOPXBC-MDZLAQPJSA-N 2 1 273.352 -0.399 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@H]1C ZINC000246707557 290110090 /nfs/dbraw/zinc/11/00/90/290110090.db2.gz WSLDXNHBOOPXBC-MDZLAQPJSA-N 2 1 273.352 -0.399 20 0 CBADMP COC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000361814169 293020252 /nfs/dbraw/zinc/02/02/52/293020252.db2.gz NAYOPHSKVSKEQY-TUAOUCFPSA-N 2 1 270.377 -0.002 20 0 CBADMP COC[C@H]([NH3+])C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353801202 293117168 /nfs/dbraw/zinc/11/71/68/293117168.db2.gz ZZUIHBFDLKWLHD-TUAOUCFPSA-N 2 1 273.377 -0.424 20 0 CBADMP C[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)[NH2+]1 ZINC000514727414 296994888 /nfs/dbraw/zinc/99/48/88/296994888.db2.gz XCAVHDLKKXFCHR-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000337882528 295108012 /nfs/dbraw/zinc/10/80/12/295108012.db2.gz SNSUOXKTSBQSTR-VXGBXAGGSA-N 2 1 282.388 -0.558 20 0 CBADMP NC(=O)[C@@]1(O)CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000367484437 295140431 /nfs/dbraw/zinc/14/04/31/295140431.db2.gz RSQWWXWWEVICOK-CYBMUJFWSA-N 2 1 255.362 -0.216 20 0 CBADMP NC(=O)[C@@]1(O)CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000367484437 295140432 /nfs/dbraw/zinc/14/04/32/295140432.db2.gz RSQWWXWWEVICOK-CYBMUJFWSA-N 2 1 255.362 -0.216 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000374402523 295217156 /nfs/dbraw/zinc/21/71/56/295217156.db2.gz NFBYJZYUCWAWAO-LBPRGKRZSA-N 2 1 294.330 -0.627 20 0 CBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000332189978 295317595 /nfs/dbraw/zinc/31/75/95/295317595.db2.gz UWSOUSQGKQNCJT-NEPJUHHUSA-N 2 1 280.372 -0.757 20 0 CBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000332189978 295317599 /nfs/dbraw/zinc/31/75/99/295317599.db2.gz UWSOUSQGKQNCJT-NEPJUHHUSA-N 2 1 280.372 -0.757 20 0 CBADMP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000249136495 295321622 /nfs/dbraw/zinc/32/16/22/295321622.db2.gz OCODMUHDANEYRI-YNEHKIRRSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCS(=O)(=O)N(C)C ZINC000442789650 297398190 /nfs/dbraw/zinc/39/81/90/297398190.db2.gz KAGYHFWESJNGTD-GHMZBOCLSA-N 2 1 263.407 -0.063 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000343553987 297582637 /nfs/dbraw/zinc/58/26/37/297582637.db2.gz VOBHDOQTCOVGJP-OBJOEFQTSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC(F)(F)C[NH3+] ZINC000418514890 300003102 /nfs/dbraw/zinc/00/31/02/300003102.db2.gz PGOMMJBMUFEPES-JGVFFNPUSA-N 2 1 250.293 -0.122 20 0 CBADMP C[C@H]1C[N@@H+](CCOCCO)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343919652 300263212 /nfs/dbraw/zinc/26/32/12/300263212.db2.gz GYMFJOBZTQPKJL-GJZGRUSLSA-N 2 1 285.432 -0.047 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228474800 303268856 /nfs/dbraw/zinc/26/88/56/303268856.db2.gz YWAPKDCRXBNIAW-IVZWLZJFSA-N 2 1 254.334 -0.369 20 0 CBADMP [NH3+][C@@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CCC1 ZINC000333324921 303446219 /nfs/dbraw/zinc/44/62/19/303446219.db2.gz VCAGRARYLXYLHL-TZMCWYRMSA-N 2 1 294.399 -0.463 20 0 CBADMP O=C(COC1C[NH2+]C1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000570800444 327620651 /nfs/dbraw/zinc/62/06/51/327620651.db2.gz MNFBJWWAMKQZMQ-ZDUSSCGKSA-N 2 1 276.340 -0.457 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000565361800 327930890 /nfs/dbraw/zinc/93/08/90/327930890.db2.gz CXZPSLSRBXLSGX-UWVGGRQHSA-N 2 1 257.334 -0.523 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000563271479 328005558 /nfs/dbraw/zinc/00/55/58/328005558.db2.gz TUFUIRZAVGHAOR-UKRRQHHQSA-N 3 1 287.448 -0.019 20 0 CBADMP CNC[C@@](C)(O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000563271479 328005559 /nfs/dbraw/zinc/00/55/59/328005559.db2.gz TUFUIRZAVGHAOR-UKRRQHHQSA-N 2 1 287.448 -0.019 20 0 CBADMP CNC[C@@](C)(O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000563271479 328005560 /nfs/dbraw/zinc/00/55/60/328005560.db2.gz TUFUIRZAVGHAOR-UKRRQHHQSA-N 2 1 287.448 -0.019 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000567368497 328061018 /nfs/dbraw/zinc/06/10/18/328061018.db2.gz XXDYZSUZTSCZJL-RWMBFGLXSA-N 3 1 266.389 -0.380 20 0 CBADMP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NCC[NH+](C)C ZINC000563403868 328062915 /nfs/dbraw/zinc/06/29/15/328062915.db2.gz PMJSCKKTOXWHES-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563454515 328067645 /nfs/dbraw/zinc/06/76/45/328067645.db2.gz LYQNXIBSKKWOQV-LBPRGKRZSA-N 2 1 293.371 -0.434 20 0 CBADMP NC(=O)C[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000563622017 328077976 /nfs/dbraw/zinc/07/79/76/328077976.db2.gz CGJJCKDGVJPWSU-LBPRGKRZSA-N 2 1 254.378 -0.379 20 0 CBADMP CC[N@H+]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000571149407 328088271 /nfs/dbraw/zinc/08/82/71/328088271.db2.gz CNOJWGXTSVTNHZ-UHFFFAOYSA-N 2 1 297.403 -0.845 20 0 CBADMP CC[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000571213369 328092439 /nfs/dbraw/zinc/09/24/39/328092439.db2.gz DITGFYOCWMXGIU-SNVBAGLBSA-N 2 1 256.350 -0.996 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000571404620 328119563 /nfs/dbraw/zinc/11/95/63/328119563.db2.gz ZCCGLLOIBRGGMX-QWHCGFSZSA-N 2 1 256.321 -0.101 20 0 CBADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CCO1 ZINC000571523314 328131462 /nfs/dbraw/zinc/13/14/62/328131462.db2.gz VBDXWVURXUUGBN-KBPBESRZSA-N 2 1 297.399 -0.184 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000571626409 328143071 /nfs/dbraw/zinc/14/30/71/328143071.db2.gz VUCFMVWXHZBAMP-CHWSQXEVSA-N 2 1 281.404 -0.620 20 0 CBADMP CS(=O)(=O)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000583029013 329304625 /nfs/dbraw/zinc/30/46/25/329304625.db2.gz ZFQSTMHNPAQXLM-PSIUFMSWSA-N 2 1 273.402 -0.107 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)C[C@H]21 ZINC000583084311 329312026 /nfs/dbraw/zinc/31/20/26/329312026.db2.gz LXOPWGPBSRQXJH-MGPQQGTHSA-N 3 1 252.406 -0.049 20 0 CBADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000583089729 329314169 /nfs/dbraw/zinc/31/41/69/329314169.db2.gz XVZBGUADPGKNQG-LBPRGKRZSA-N 2 1 293.433 -0.782 20 0 CBADMP C[C@@H]1NCC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@H]1C ZINC000565833625 327031117 /nfs/dbraw/zinc/03/11/17/327031117.db2.gz MIEMMYRUVMLBOO-AVGNSLFASA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1NCC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@H]1C ZINC000565833625 327031118 /nfs/dbraw/zinc/03/11/18/327031118.db2.gz MIEMMYRUVMLBOO-AVGNSLFASA-N 2 1 268.405 -0.134 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000584171451 327056801 /nfs/dbraw/zinc/05/68/01/327056801.db2.gz ZNISAEAZUDFUMD-NSHDSACASA-N 2 1 280.376 -0.302 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000564448288 327089167 /nfs/dbraw/zinc/08/91/67/327089167.db2.gz LHZHNCWLIPWLJA-RYUDHWBXSA-N 2 1 282.388 -0.430 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCO)C[C@H]1C ZINC000584239860 327112205 /nfs/dbraw/zinc/11/22/05/327112205.db2.gz OQJCAMFIEIEHJY-CHWSQXEVSA-N 2 1 259.394 -0.703 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](CCO)C[C@H]1C ZINC000584239860 327112207 /nfs/dbraw/zinc/11/22/07/327112207.db2.gz OQJCAMFIEIEHJY-CHWSQXEVSA-N 2 1 259.394 -0.703 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+](CCO)C[C@H]1C ZINC000584239860 327112209 /nfs/dbraw/zinc/11/22/09/327112209.db2.gz OQJCAMFIEIEHJY-CHWSQXEVSA-N 2 1 259.394 -0.703 20 0 CBADMP COCC[N@H+](C)CCNC(=O)CC(F)(F)C[NH3+] ZINC000569468656 327182265 /nfs/dbraw/zinc/18/22/65/327182265.db2.gz PLORHLHYRRUYJX-UHFFFAOYSA-N 2 1 253.293 -0.335 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)CC(F)(F)C[NH3+] ZINC000569468656 327182267 /nfs/dbraw/zinc/18/22/67/327182267.db2.gz PLORHLHYRRUYJX-UHFFFAOYSA-N 2 1 253.293 -0.335 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000569482935 327184139 /nfs/dbraw/zinc/18/41/39/327184139.db2.gz ADNXLFQBGSMVBE-CYBMUJFWSA-N 2 1 273.352 -0.085 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000572599645 327191732 /nfs/dbraw/zinc/19/17/32/327191732.db2.gz HSMDMUKSRFRVEY-BQBZGAKWSA-N 2 1 298.368 -0.212 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000564666625 327257216 /nfs/dbraw/zinc/25/72/16/327257216.db2.gz OEFKNHKCGNPRCM-MGPQQGTHSA-N 2 1 290.404 -0.697 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000564666625 327257218 /nfs/dbraw/zinc/25/72/18/327257218.db2.gz OEFKNHKCGNPRCM-MGPQQGTHSA-N 2 1 290.404 -0.697 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000574072584 327287906 /nfs/dbraw/zinc/28/79/06/327287906.db2.gz XWNOZMAPBLJHNK-RHYQMDGZSA-N 2 1 253.346 -0.569 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)CC2(C[NH3+])CC2)CC1 ZINC000578072737 327298312 /nfs/dbraw/zinc/29/83/12/327298312.db2.gz MPJNSMCRRIIVLV-UHFFFAOYSA-N 2 1 282.388 -0.604 20 0 CBADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)Cn1cccn1 ZINC000564975251 327301343 /nfs/dbraw/zinc/30/13/43/327301343.db2.gz HVQAGTOIWSJALJ-ZIAGYGMSSA-N 2 1 282.388 -0.320 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000564978455 327310788 /nfs/dbraw/zinc/31/07/88/327310788.db2.gz DNQVREGHPJCWEI-GMXVVIOVSA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C(=O)NCC[NH+](C)C ZINC000560564218 327325007 /nfs/dbraw/zinc/32/50/07/327325007.db2.gz TZKSZDBPYTVNCF-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])[N@@H+](C)C1CC1 ZINC000574413095 327330972 /nfs/dbraw/zinc/33/09/72/327330972.db2.gz HMFVQAZEESKRQR-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000583392470 327339919 /nfs/dbraw/zinc/33/99/19/327339919.db2.gz HNJYZUJTCXALGT-NSHDSACASA-N 2 1 265.361 -0.109 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](CS(N)(=O)=O)C1 ZINC000574530247 327343730 /nfs/dbraw/zinc/34/37/30/327343730.db2.gz VNBFKYYIYYLDTE-NWDGAFQWSA-N 2 1 293.433 -0.701 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2C[C@H](O)C2(C)C)CC1 ZINC000574543546 327344853 /nfs/dbraw/zinc/34/48/53/327344853.db2.gz VMQNMEMFSZRLEY-RYUDHWBXSA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N(C)CCC[NH3+])C1 ZINC000579378136 327365201 /nfs/dbraw/zinc/36/52/01/327365201.db2.gz NOWOJDCFUJVTRD-NSHDSACASA-N 2 1 258.366 -0.303 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000579473886 327378300 /nfs/dbraw/zinc/37/83/00/327378300.db2.gz RDIMSPROZDOTIJ-ZDUSSCGKSA-N 3 1 268.405 -0.227 20 0 CBADMP CC(C)OC[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000566674173 327436833 /nfs/dbraw/zinc/43/68/33/327436833.db2.gz UEQDUAYPMKFNGS-CYBMUJFWSA-N 2 1 287.404 -0.474 20 0 CBADMP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000569811548 327548819 /nfs/dbraw/zinc/54/88/19/327548819.db2.gz DICYHBHXFVGDQG-TUAOUCFPSA-N 2 1 280.372 -0.854 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000570451610 327592660 /nfs/dbraw/zinc/59/26/60/327592660.db2.gz VMYQNXGOHARSFO-NEPJUHHUSA-N 2 1 256.394 -0.406 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000584349874 328730714 /nfs/dbraw/zinc/73/07/14/328730714.db2.gz XJBMAWCCAMILIZ-FRRDWIJNSA-N 2 1 285.388 -0.280 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C(C)(C)C ZINC000393967022 329097974 /nfs/dbraw/zinc/09/79/74/329097974.db2.gz RGEYJLCNIBOBEM-NWDGAFQWSA-N 2 1 262.394 -0.078 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C(C)(C)C ZINC000393967022 329097975 /nfs/dbraw/zinc/09/79/75/329097975.db2.gz RGEYJLCNIBOBEM-NWDGAFQWSA-N 2 1 262.394 -0.078 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000582546610 329105169 /nfs/dbraw/zinc/10/51/69/329105169.db2.gz ALPKXXHOHUBQSR-TXEJJXNPSA-N 2 1 283.372 -0.403 20 0 CBADMP COC[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000582541873 329109025 /nfs/dbraw/zinc/10/90/25/329109025.db2.gz RARVEHNJWUFEQT-VXGBXAGGSA-N 2 1 273.377 -0.829 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2([NH3+])CCC2)C1 ZINC000582723091 329130606 /nfs/dbraw/zinc/13/06/06/329130606.db2.gz XBZVVSXDTFZPBB-NSHDSACASA-N 2 1 282.388 -0.429 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000582733568 329133476 /nfs/dbraw/zinc/13/34/76/329133476.db2.gz HBJBPIXRUOAHDV-CHWSQXEVSA-N 2 1 259.394 -0.439 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000583141072 329321034 /nfs/dbraw/zinc/32/10/34/329321034.db2.gz VMLMQRNUWBLPCL-NEPJUHHUSA-N 2 1 297.399 -0.062 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CCSC[C@H]1CCO ZINC000583211867 329368170 /nfs/dbraw/zinc/36/81/70/329368170.db2.gz GCBIJTDGRCXREW-OLZOCXBDSA-N 2 1 292.445 -0.275 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000399400759 329452558 /nfs/dbraw/zinc/45/25/58/329452558.db2.gz AMDSSTXCFFAQBP-RISCZKNCSA-N 2 1 298.431 -0.068 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000584469885 329493215 /nfs/dbraw/zinc/49/32/15/329493215.db2.gz BBIOTNCSLCTWKI-WDEREUQCSA-N 2 1 272.320 -0.265 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](CCCN2CCOCC2)CCCO1 ZINC000572410379 330064495 /nfs/dbraw/zinc/06/44/95/330064495.db2.gz YHCNWGMBXUNHJO-CYBMUJFWSA-N 2 1 257.378 -0.242 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000574988123 330120166 /nfs/dbraw/zinc/12/01/66/330120166.db2.gz KFWWBSJGXWHYKK-JTQLQIEISA-N 2 1 251.286 -0.026 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000572510860 330841374 /nfs/dbraw/zinc/84/13/74/330841374.db2.gz YGHZMNKNKIDXHM-UHFFFAOYSA-N 2 1 268.361 -0.900 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH2+]CC1 ZINC000575733337 335109985 /nfs/dbraw/zinc/10/99/85/335109985.db2.gz YJNGHDQOPARQJK-GFCCVEGCSA-N 2 1 270.377 -0.288 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000575763501 335113574 /nfs/dbraw/zinc/11/35/74/335113574.db2.gz VYUIRUOMNXIYRL-RYUDHWBXSA-N 2 1 270.377 -0.242 20 0 CBADMP C[C@@H](C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000575803777 335116965 /nfs/dbraw/zinc/11/69/65/335116965.db2.gz FUUSXAVUFAQHOS-AGIUHOORSA-N 2 1 268.405 -0.169 20 0 CBADMP C[N@@H+](C[C@@H](O)CN[C@H](CO)C[NH+]1CCCCC1)C1CC1 ZINC000575988187 335138866 /nfs/dbraw/zinc/13/88/66/335138866.db2.gz AIPGDFRWJDEULA-ZFWWWQNUSA-N 2 1 285.432 -0.122 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000576015627 335141798 /nfs/dbraw/zinc/14/17/98/335141798.db2.gz DPJGKNAGLPKHKB-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000576135632 335159569 /nfs/dbraw/zinc/15/95/69/335159569.db2.gz CSEPYOZRBMXCMM-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC1CC1 ZINC000174720727 335164788 /nfs/dbraw/zinc/16/47/88/335164788.db2.gz QPWLWFSCHKWVDC-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC1CC1 ZINC000174720727 335164789 /nfs/dbraw/zinc/16/47/89/335164789.db2.gz QPWLWFSCHKWVDC-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000564325994 334103704 /nfs/dbraw/zinc/10/37/04/334103704.db2.gz DDLFWPSAWAYWRW-LLVKDONJSA-N 2 1 255.362 -0.048 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000576278746 335181684 /nfs/dbraw/zinc/18/16/84/335181684.db2.gz UQJYCQPELGQEJW-DGCLKSJQSA-N 2 1 282.388 -0.608 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000311528322 334224301 /nfs/dbraw/zinc/22/43/01/334224301.db2.gz FBTJSQCRWBLHRO-HZSPNIEDSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000311528322 334224302 /nfs/dbraw/zinc/22/43/02/334224302.db2.gz FBTJSQCRWBLHRO-HZSPNIEDSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000311528322 334224303 /nfs/dbraw/zinc/22/43/03/334224303.db2.gz FBTJSQCRWBLHRO-HZSPNIEDSA-N 2 1 273.421 -0.050 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000250597381 334346777 /nfs/dbraw/zinc/34/67/77/334346777.db2.gz JBXUQKHZQSYAQT-JHJVBQTASA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+]1CC(C)C1 ZINC000553198090 334368287 /nfs/dbraw/zinc/36/82/87/334368287.db2.gz QDWYZAQFLVVGNL-WCQYABFASA-N 2 1 257.378 -0.245 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC[NH+](CCO)CC1 ZINC000555808313 334489589 /nfs/dbraw/zinc/48/95/89/334489589.db2.gz JIPOPFKSFBBXFG-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP NC(=O)NC(=O)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000566106826 334623624 /nfs/dbraw/zinc/62/36/24/334623624.db2.gz AGUYRUIMSGYUGP-UHFFFAOYSA-N 2 1 254.334 -0.212 20 0 CBADMP C[C@@H](C(=O)N[C@@H](C[NH3+])C1CC1)N1CC[NH+](C)CC1 ZINC000566246910 334638558 /nfs/dbraw/zinc/63/85/58/334638558.db2.gz RJQWECAPUMAOKM-JQWIXIFHSA-N 2 1 254.378 -0.524 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000566406523 334646552 /nfs/dbraw/zinc/64/65/52/334646552.db2.gz LKXNSZZWUNCDCL-QMMMGPOBSA-N 2 1 251.277 -0.535 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000566559786 334655384 /nfs/dbraw/zinc/65/53/84/334655384.db2.gz XIENKTBMLFBCFP-RYUDHWBXSA-N 2 1 283.372 -0.036 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)c1cnn(C)c1 ZINC000567842185 334767249 /nfs/dbraw/zinc/76/72/49/334767249.db2.gz CJUGOZLAABJYJD-JLLWLGSASA-N 2 1 265.361 -0.063 20 0 CBADMP Cc1ccc([C@H]([NH3+])C(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000567883652 334771589 /nfs/dbraw/zinc/77/15/89/334771589.db2.gz CXDVPNFKVLFIGM-AWEZNQCLSA-N 2 1 290.367 -0.457 20 0 CBADMP C[C@@H]1C[NH2+]CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000567891259 334772451 /nfs/dbraw/zinc/77/24/51/334772451.db2.gz SWJGABYOGZKJOU-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576359432 335194405 /nfs/dbraw/zinc/19/44/05/335194405.db2.gz AZUGUBBFICACJQ-JHJVBQTASA-N 2 1 294.399 -0.369 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000576465643 335207406 /nfs/dbraw/zinc/20/74/06/335207406.db2.gz HXKLLYRCQBSJAR-CMPLNLGQSA-N 2 1 259.325 -0.475 20 0 CBADMP CN(C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1)[C@@H]1CC[NH2+]C1 ZINC000576753823 335243347 /nfs/dbraw/zinc/24/33/47/335243347.db2.gz ZKRLGBZGAHFYKA-VHSXEESVSA-N 2 1 263.345 -0.080 20 0 CBADMP CCC[C@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@@H+]1CCOC ZINC000576758444 335244357 /nfs/dbraw/zinc/24/43/57/335244357.db2.gz QRKSOARPOHEPCV-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[C@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@H+]1CCOC ZINC000576758444 335244358 /nfs/dbraw/zinc/24/43/58/335244358.db2.gz QRKSOARPOHEPCV-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)[C@H]1CCCOC1)C1CC1 ZINC000576992345 335274958 /nfs/dbraw/zinc/27/49/58/335274958.db2.gz JXKANTCHGAVKTQ-IACUBPJLSA-N 2 1 272.389 -0.181 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)[C@H]1CCCOC1)C1CC1 ZINC000576992345 335274959 /nfs/dbraw/zinc/27/49/59/335274959.db2.gz JXKANTCHGAVKTQ-IACUBPJLSA-N 2 1 272.389 -0.181 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000581071353 335300579 /nfs/dbraw/zinc/30/05/79/335300579.db2.gz DKMILAZLVMXGPS-QWHCGFSZSA-N 2 1 268.405 -0.262 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000580631762 335306941 /nfs/dbraw/zinc/30/69/41/335306941.db2.gz HLMNKOTUEFGFLH-GFCCVEGCSA-N 2 1 299.419 -0.552 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000577270576 335332603 /nfs/dbraw/zinc/33/26/03/335332603.db2.gz NEFKJEMIQRAJBL-RTXFEEFZSA-N 2 1 294.399 -0.465 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000577389752 335341078 /nfs/dbraw/zinc/34/10/78/335341078.db2.gz PVWKDLOMJHQJLD-UHFFFAOYSA-N 2 1 272.393 -0.358 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000577513850 335363356 /nfs/dbraw/zinc/36/33/56/335363356.db2.gz ZXPDGZLWODSUMP-CHWSQXEVSA-N 2 1 268.357 -0.095 20 0 CBADMP O=C1CCCN1[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000577634115 335383372 /nfs/dbraw/zinc/38/33/72/335383372.db2.gz CXIPZYDXKBGXNZ-CQSZACIVSA-N 2 1 280.416 -0.022 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(CC(N)=O)C(C)C ZINC000577699840 335390187 /nfs/dbraw/zinc/39/01/87/335390187.db2.gz QJZMFLXMEYALKZ-NSHDSACASA-N 2 1 261.366 -0.879 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000581061071 336002029 /nfs/dbraw/zinc/00/20/29/336002029.db2.gz FKUMGDXYBANNLH-NNYUYHANSA-N 2 1 252.362 -0.012 20 0 CBADMP C[C@H]1OCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000380600201 336003518 /nfs/dbraw/zinc/00/35/18/336003518.db2.gz ZXQWUECQIWZBHI-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC2CC2)CC1 ZINC000380604503 336004259 /nfs/dbraw/zinc/00/42/59/336004259.db2.gz FOGFWZLKLDNICT-HNNXBMFYSA-N 2 1 285.432 -0.047 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000581130091 336012568 /nfs/dbraw/zinc/01/25/68/336012568.db2.gz GWRHZZJVYPRHCQ-NWDGAFQWSA-N 2 1 255.362 -0.096 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000581130091 336012570 /nfs/dbraw/zinc/01/25/70/336012570.db2.gz GWRHZZJVYPRHCQ-NWDGAFQWSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000581200991 336024172 /nfs/dbraw/zinc/02/41/72/336024172.db2.gz UMQQDTUAHSQGRT-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000581200991 336024173 /nfs/dbraw/zinc/02/41/73/336024173.db2.gz UMQQDTUAHSQGRT-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CC1(N2CCOCC2)CC1)C1CC1 ZINC000581424939 336075068 /nfs/dbraw/zinc/07/50/68/336075068.db2.gz OXUNJYXOOWGDCR-CQSZACIVSA-N 2 1 283.416 -0.104 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(N2CCOCC2)CC1)C1CC1 ZINC000581424939 336075069 /nfs/dbraw/zinc/07/50/69/336075069.db2.gz OXUNJYXOOWGDCR-CQSZACIVSA-N 2 1 283.416 -0.104 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@H]([NH3+])C1CC1)c1cnn(C)c1 ZINC000581488083 336088027 /nfs/dbraw/zinc/08/80/27/336088027.db2.gz LIVMIPJPZDFUQS-QWRGUYRKSA-N 2 1 251.334 -0.466 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@@H]([NH3+])C1CC1)c1cnn(C)c1 ZINC000581488082 336088232 /nfs/dbraw/zinc/08/82/32/336088232.db2.gz LIVMIPJPZDFUQS-MNOVXSKESA-N 2 1 251.334 -0.466 20 0 CBADMP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000382974058 336100496 /nfs/dbraw/zinc/10/04/96/336100496.db2.gz SAPZSLYSBCIZPI-GFCCVEGCSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000581605548 336111108 /nfs/dbraw/zinc/11/11/08/336111108.db2.gz KPKLFAVAJZMLOY-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)c1cnn(C)c1 ZINC000581666162 336120816 /nfs/dbraw/zinc/12/08/16/336120816.db2.gz DLBKXZHMDISPRQ-WDEREUQCSA-N 2 1 251.334 -0.451 20 0 CBADMP CN1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCC1=O ZINC000386050856 336165646 /nfs/dbraw/zinc/16/56/46/336165646.db2.gz BWHYNPTUQHQMGM-CMPLNLGQSA-N 2 1 255.362 -0.348 20 0 CBADMP CN1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCC1=O ZINC000386050856 336165648 /nfs/dbraw/zinc/16/56/48/336165648.db2.gz BWHYNPTUQHQMGM-CMPLNLGQSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000581941563 336173254 /nfs/dbraw/zinc/17/32/54/336173254.db2.gz QVLMMZAENITPPY-ZYHUDNBSSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000354694749 533891613 /nfs/dbraw/zinc/89/16/13/533891613.db2.gz QTPKLFYMSIERBI-AAEUAGOBSA-N 2 1 296.415 -0.156 20 0 CBADMP CCS(=O)(=O)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420298675 517744286 /nfs/dbraw/zinc/74/42/86/517744286.db2.gz FPEUTJWWHIQVRE-GFCCVEGCSA-N 2 1 275.418 -0.047 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H](C)C[NH3+])CC1 ZINC000357234546 535705217 /nfs/dbraw/zinc/70/52/17/535705217.db2.gz AYHOHZSPBSORAF-QWHCGFSZSA-N 2 1 270.421 -0.029 20 0 CBADMP C[NH+](C)CCN(C(=O)[C@H]1C[N@H+]2CCN1CCC2)C1CC1 ZINC000356290740 535845845 /nfs/dbraw/zinc/84/58/45/535845845.db2.gz DERJFSTZCBOPDJ-CQSZACIVSA-N 2 1 280.416 -0.071 20 0 CBADMP CC(C)C(=O)NCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000104155988 582113170 /nfs/dbraw/zinc/11/31/70/582113170.db2.gz VDTVVSFSRCLCHC-UHFFFAOYSA-N 2 1 299.419 -0.615 20 0 CBADMP [NH3+][C@H](CC(=O)NCCC[NH+]1CCOCC1)C1CC1 ZINC000123585475 582119284 /nfs/dbraw/zinc/11/92/84/582119284.db2.gz DRXHFGKECZLUEV-GFCCVEGCSA-N 2 1 255.362 -0.048 20 0 CBADMP COCCOC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300285037 582130433 /nfs/dbraw/zinc/13/04/33/582130433.db2.gz QTGMGXDSPWMVEG-BFHYXJOUSA-N 2 1 288.388 -0.537 20 0 CBADMP COCCOC[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300285037 582130434 /nfs/dbraw/zinc/13/04/34/582130434.db2.gz QTGMGXDSPWMVEG-BFHYXJOUSA-N 2 1 288.388 -0.537 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000725898989 582135923 /nfs/dbraw/zinc/13/59/23/582135923.db2.gz ZADKEIQRJMXAFK-KGLIPLIRSA-N 2 1 297.399 -0.312 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000725898989 582135924 /nfs/dbraw/zinc/13/59/24/582135924.db2.gz ZADKEIQRJMXAFK-KGLIPLIRSA-N 2 1 297.399 -0.312 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000729529206 582146897 /nfs/dbraw/zinc/14/68/97/582146897.db2.gz NELNDSSBZZSGNL-YNEHKIRRSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000729529206 582146898 /nfs/dbraw/zinc/14/68/98/582146898.db2.gz NELNDSSBZZSGNL-YNEHKIRRSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000729529206 582146900 /nfs/dbraw/zinc/14/69/00/582146900.db2.gz NELNDSSBZZSGNL-YNEHKIRRSA-N 2 1 267.373 -0.083 20 0 CBADMP CN1C(=O)C(=O)N(C[NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000738072079 582259141 /nfs/dbraw/zinc/25/91/41/582259141.db2.gz ZSNPBUADZVNLOH-UHFFFAOYSA-N 2 1 282.344 -0.362 20 0 CBADMP CC[NH+](C/C=C\C[N@H+](CC)CC(=O)NC)CC(=O)NC ZINC000741787519 582271009 /nfs/dbraw/zinc/27/10/09/582271009.db2.gz QYQBKNRUPGVQPK-FPLPWBNLSA-N 2 1 284.404 -0.322 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)CC[NH+]1CCOCC1 ZINC000752480576 582295093 /nfs/dbraw/zinc/29/50/93/582295093.db2.gz YKSCIUPQZLRJBV-ZDUSSCGKSA-N 2 1 273.377 -0.863 20 0 CBADMP C[NH+](C)CCCCC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000762715436 582318024 /nfs/dbraw/zinc/31/80/24/582318024.db2.gz HEQPWHFSYLNZOW-CYBMUJFWSA-N 2 1 257.378 -0.099 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1C ZINC000768849006 582334737 /nfs/dbraw/zinc/33/47/37/582334737.db2.gz ZWYDHRACLDFSFY-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1C ZINC000768849006 582334738 /nfs/dbraw/zinc/33/47/38/582334738.db2.gz ZWYDHRACLDFSFY-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@H](CCO)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000779403378 582361058 /nfs/dbraw/zinc/36/10/58/582361058.db2.gz HACPOJSZBDWMPP-ZIAGYGMSSA-N 2 1 271.405 -0.247 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC3(C2)OCCO3)CC1 ZINC000779477161 582361350 /nfs/dbraw/zinc/36/13/50/582361350.db2.gz XJFDJBUTFQQFLK-UHFFFAOYSA-N 2 1 297.399 -0.011 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC3(C2)OCCO3)CC1 ZINC000779477161 582361351 /nfs/dbraw/zinc/36/13/51/582361351.db2.gz XJFDJBUTFQQFLK-UHFFFAOYSA-N 2 1 297.399 -0.011 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2cn(C)nn2)C1 ZINC000779653930 582362339 /nfs/dbraw/zinc/36/23/39/582362339.db2.gz XYUIHVCYXXAVHX-NSHDSACASA-N 2 1 282.348 -0.077 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2cn(C)nn2)C1 ZINC000779653930 582362340 /nfs/dbraw/zinc/36/23/40/582362340.db2.gz XYUIHVCYXXAVHX-NSHDSACASA-N 2 1 282.348 -0.077 20 0 CBADMP C[NH+](C)CCNC(=S)NCC[N@H+]1CCCOCC1 ZINC000782210901 582367888 /nfs/dbraw/zinc/36/78/88/582367888.db2.gz VZLKSXABVDDSQN-UHFFFAOYSA-N 2 1 274.434 -0.266 20 0 CBADMP COCCC[N@H+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000782580672 582369328 /nfs/dbraw/zinc/36/93/28/582369328.db2.gz ZLRHFTGXGPTBNZ-ZDUSSCGKSA-N 2 1 260.378 -0.226 20 0 CBADMP COCCC[N@@H+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000782580672 582369329 /nfs/dbraw/zinc/36/93/29/582369329.db2.gz ZLRHFTGXGPTBNZ-ZDUSSCGKSA-N 2 1 260.378 -0.226 20 0 CBADMP CNC(=O)[C@]1(C)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000797525456 582413693 /nfs/dbraw/zinc/41/36/93/582413693.db2.gz MXWHMTAICZMQMM-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000801547316 582424639 /nfs/dbraw/zinc/42/46/39/582424639.db2.gz NIVSCTKGCNNSQU-GXTWGEPZSA-N 2 1 267.373 -0.535 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000801547316 582424640 /nfs/dbraw/zinc/42/46/40/582424640.db2.gz NIVSCTKGCNNSQU-GXTWGEPZSA-N 2 1 267.373 -0.535 20 0 CBADMP C[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000808220681 582442384 /nfs/dbraw/zinc/44/23/84/582442384.db2.gz AGRKXBYMHWVKAL-ZIAGYGMSSA-N 2 1 298.431 -0.805 20 0 CBADMP CN(CCC[N@@H+](C)[C@H]1CCC(=O)NC1=O)CC[NH+](C)C ZINC000808781765 582444521 /nfs/dbraw/zinc/44/45/21/582444521.db2.gz OYNVIZIXHYOEMB-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cnn(C)n2)CC1 ZINC000815115936 582460664 /nfs/dbraw/zinc/46/06/64/582460664.db2.gz RUMPMNORHOAFJM-LBPRGKRZSA-N 2 1 266.393 -0.069 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)CN1CC[NH+](C)CC1 ZINC000815124230 582461105 /nfs/dbraw/zinc/46/11/05/582461105.db2.gz YZEXLVVDFZOIRX-GFCCVEGCSA-N 2 1 266.393 -0.212 20 0 CBADMP Cn1ncc(C[NH2+]CCCN2CCC[N@H+](C)CC2)n1 ZINC000815123681 582461138 /nfs/dbraw/zinc/46/11/38/582461138.db2.gz LJCUYLFAGPMCJL-UHFFFAOYSA-N 2 1 266.393 -0.068 20 0 CBADMP Cn1ncc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)n1 ZINC000815123681 582461139 /nfs/dbraw/zinc/46/11/39/582461139.db2.gz LJCUYLFAGPMCJL-UHFFFAOYSA-N 2 1 266.393 -0.068 20 0 CBADMP CON(C)C(=O)CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000818987197 582524202 /nfs/dbraw/zinc/52/42/02/582524202.db2.gz UTCKGWQWUYYCAN-VXGBXAGGSA-N 2 1 271.361 -0.151 20 0 CBADMP CON(C)C(=O)CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000818987197 582524204 /nfs/dbraw/zinc/52/42/04/582524204.db2.gz UTCKGWQWUYYCAN-VXGBXAGGSA-N 2 1 271.361 -0.151 20 0 CBADMP NC(=O)NC(=O)CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000819061317 582525462 /nfs/dbraw/zinc/52/54/62/582525462.db2.gz KQXAIKQJPZGJNV-LBPRGKRZSA-N 2 1 298.387 -0.196 20 0 CBADMP NC(=O)NC(=O)CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000819061315 582525507 /nfs/dbraw/zinc/52/55/07/582525507.db2.gz KQXAIKQJPZGJNV-GFCCVEGCSA-N 2 1 298.387 -0.196 20 0 CBADMP O[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000819078748 582526067 /nfs/dbraw/zinc/52/60/67/582526067.db2.gz YUBNHDQJSXZNBF-HUUCEWRRSA-N 2 1 283.416 -0.247 20 0 CBADMP COC(OC)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000824400494 582696191 /nfs/dbraw/zinc/69/61/91/582696191.db2.gz AYVZKOOYHYYQLD-NSHDSACASA-N 2 1 275.393 -0.007 20 0 CBADMP COC(OC)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000824400494 582696193 /nfs/dbraw/zinc/69/61/93/582696193.db2.gz AYVZKOOYHYYQLD-NSHDSACASA-N 2 1 275.393 -0.007 20 0 CBADMP C[N@@H+]1CC[C@H]2CN(C(=O)CN3CC[NH+](C)CC3)CC[C@H]21 ZINC000827313328 582811055 /nfs/dbraw/zinc/81/10/55/582811055.db2.gz ZKUYFTDPIBSSRY-UONOGXRCSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)CN3CC[NH+](C)CC3)CC[C@H]21 ZINC000827313328 582811058 /nfs/dbraw/zinc/81/10/58/582811058.db2.gz ZKUYFTDPIBSSRY-UONOGXRCSA-N 2 1 280.416 -0.214 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@]1(F)CC[NH2+]C1 ZINC000827936228 582836205 /nfs/dbraw/zinc/83/62/05/582836205.db2.gz GZXVLWHOIDRKSM-NQBHXWOUSA-N 2 1 271.336 -0.333 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000827936146 582836247 /nfs/dbraw/zinc/83/62/47/582836247.db2.gz FPENSSYOQOXLJD-GUIRCDHDSA-N 2 1 279.384 -0.035 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@]1(F)CC[NH2+]C1 ZINC000827936227 582836325 /nfs/dbraw/zinc/83/63/25/582836325.db2.gz GZXVLWHOIDRKSM-LOWVWBTDSA-N 2 1 271.336 -0.333 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000829287020 582884683 /nfs/dbraw/zinc/88/46/83/582884683.db2.gz NOKYWPLWKSOWSK-ZYHUDNBSSA-N 2 1 258.341 -0.950 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CCO ZINC000829749128 582897412 /nfs/dbraw/zinc/89/74/12/582897412.db2.gz DAWCYJZIXUKABF-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CCO ZINC000829749128 582897414 /nfs/dbraw/zinc/89/74/14/582897414.db2.gz DAWCYJZIXUKABF-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CCO ZINC000829749128 582897417 /nfs/dbraw/zinc/89/74/17/582897417.db2.gz DAWCYJZIXUKABF-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@]1(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000831031361 582950809 /nfs/dbraw/zinc/95/08/09/582950809.db2.gz OJTOBBMSBKNHAB-BZPMIXESSA-N 2 1 282.388 -0.099 20 0 CBADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000834569695 583131814 /nfs/dbraw/zinc/13/18/14/583131814.db2.gz TWNUJRKDOMFFEL-OAHLLOKOSA-N 2 1 299.415 -0.376 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000838818481 583153467 /nfs/dbraw/zinc/15/34/67/583153467.db2.gz HGUGQMFGHQXSMC-CQSZACIVSA-N 2 1 281.400 -0.003 20 0 CBADMP CN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC([NH3+])C1 ZINC000841790482 583174084 /nfs/dbraw/zinc/17/40/84/583174084.db2.gz XIBNWFVLYXLXEN-POOIEITISA-N 2 1 282.388 -0.019 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H]1CCC[NH2+]C1 ZINC000841790760 583174662 /nfs/dbraw/zinc/17/46/62/583174662.db2.gz JDIBMNFFJJBZMD-UPJWGTAASA-N 2 1 282.388 -0.099 20 0 CBADMP C[N@@H+](CC(=O)N1CCNC(=O)C1)C1CCC([NH3+])CC1 ZINC000843353503 583211768 /nfs/dbraw/zinc/21/17/68/583211768.db2.gz AIVRAKIXQJDAJG-UHFFFAOYSA-N 2 1 268.361 -0.854 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364424 583212627 /nfs/dbraw/zinc/21/26/27/583212627.db2.gz BMHVRQOVWSYBBV-UHFFFAOYSA-N 2 1 283.372 -0.259 20 0 CBADMP COC(=O)CC[N@@H+](CCN1CC[NH2+]CC1)C1CCOCC1 ZINC000843389081 583214723 /nfs/dbraw/zinc/21/47/23/583214723.db2.gz PRKDEYUWEKYAJZ-UHFFFAOYSA-N 2 1 299.415 -0.064 20 0 CBADMP CC[NH2+]CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000843460780 583222196 /nfs/dbraw/zinc/22/21/96/583222196.db2.gz DEZOAVVRIHQQPW-LLVKDONJSA-N 2 1 268.361 -0.981 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000843484849 583227369 /nfs/dbraw/zinc/22/73/69/583227369.db2.gz DUIQVNWQKGCFAC-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP COCC[NH+]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844167606 583255671 /nfs/dbraw/zinc/25/56/71/583255671.db2.gz LMTOIUDVRDOXSQ-ZDUSSCGKSA-N 2 1 285.388 -0.454 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844168892 583255831 /nfs/dbraw/zinc/25/58/31/583255831.db2.gz CVAAMCLLAKLJMI-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844170946 583256266 /nfs/dbraw/zinc/25/62/66/583256266.db2.gz OCLZFJLSQLSWJL-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)C[NH+]1CCOCC1 ZINC000844179799 583257632 /nfs/dbraw/zinc/25/76/32/583257632.db2.gz ZIRHNRBZDUFEEH-KBPBESRZSA-N 2 1 299.415 -0.161 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844192254 583259934 /nfs/dbraw/zinc/25/99/34/583259934.db2.gz WFTWBQWMKHJPQQ-QWHCGFSZSA-N 2 1 284.404 -0.883 20 0 CBADMP CN(C)c1cc[nH+]c(N2CCN(CC[NH+](C)C)C(=O)C2)n1 ZINC000845632773 583332126 /nfs/dbraw/zinc/33/21/26/583332126.db2.gz BDFYJEWZRRPZCJ-UHFFFAOYSA-N 2 1 292.387 -0.247 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000846678662 583382504 /nfs/dbraw/zinc/38/25/04/583382504.db2.gz NBTVQWQYHBQFKA-IUCAKERBSA-N 2 1 264.320 -0.669 20 0 CBADMP C[N@H+]1CCC[C@@H](CN[C@@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000846701397 583384875 /nfs/dbraw/zinc/38/48/75/583384875.db2.gz FQGXWTPZJKCWSO-NWDGAFQWSA-N 2 1 283.372 -0.572 20 0 CBADMP [NH3+]CCCCCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848603922 583451407 /nfs/dbraw/zinc/45/14/07/583451407.db2.gz CDGMRESSBDCUBZ-QWHCGFSZSA-N 2 1 284.404 -0.034 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848614796 583452933 /nfs/dbraw/zinc/45/29/33/583452933.db2.gz XPQLARDNMVUCMF-SDDRHHMPSA-N 2 1 282.388 -0.417 20 0 CBADMP C[NH+]1CCC(NC(=S)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000848650558 583453664 /nfs/dbraw/zinc/45/36/64/583453664.db2.gz PENIJEJUALRNBL-QWHCGFSZSA-N 2 1 298.456 -0.294 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCOCC1 ZINC000848980716 583463856 /nfs/dbraw/zinc/46/38/56/583463856.db2.gz LAWPRVCYLVPJQS-CYBMUJFWSA-N 2 1 283.420 -0.083 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)N(C)C ZINC000848982048 583463980 /nfs/dbraw/zinc/46/39/80/583463980.db2.gz OPQSFWQKFCDQRI-JTQLQIEISA-N 2 1 255.366 -0.327 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])N2CCC2)CC1 ZINC000848986372 583464441 /nfs/dbraw/zinc/46/44/41/583464441.db2.gz JWZHDIUXVQLXDM-UHFFFAOYSA-N 2 1 253.350 -0.619 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=[NH2+])NC2CC2)C1 ZINC000848999187 583465406 /nfs/dbraw/zinc/46/54/06/583465406.db2.gz ATTVPCMWNXZCOI-JTQLQIEISA-N 2 1 267.377 -0.150 20 0 CBADMP CCNC(=[NH2+])NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000849000429 583465816 /nfs/dbraw/zinc/46/58/16/583465816.db2.gz SSTWWABIQIJPSR-JTQLQIEISA-N 2 1 255.366 -0.292 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1(O)CCC1 ZINC000849005240 583466785 /nfs/dbraw/zinc/46/67/85/583466785.db2.gz GZHGIEVINBLGRH-UHFFFAOYSA-N 2 1 270.377 -0.262 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(CO)COC1 ZINC000849014217 583468184 /nfs/dbraw/zinc/46/81/84/583468184.db2.gz OZTOIHAWZYYLTA-NSHDSACASA-N 2 1 270.377 -0.406 20 0 CBADMP Cn1nncc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849028233 583469547 /nfs/dbraw/zinc/46/95/47/583469547.db2.gz MCVNSBHXUFALFO-UHFFFAOYSA-N 2 1 281.364 -0.849 20 0 CBADMP CN(C)CC[N@H+](C)CCCNC(=[NH2+])N1CCOCC1 ZINC000849028147 583469589 /nfs/dbraw/zinc/46/95/89/583469589.db2.gz GKWOESIYECNGSO-UHFFFAOYSA-N 2 1 271.409 -0.274 20 0 CBADMP CN(C)CC[N@@H+](C)CCCNC(=[NH2+])N1CCOCC1 ZINC000849028147 583469591 /nfs/dbraw/zinc/46/95/91/583469591.db2.gz GKWOESIYECNGSO-UHFFFAOYSA-N 2 1 271.409 -0.274 20 0 CBADMP COC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+]1CCCO ZINC000849033851 583469840 /nfs/dbraw/zinc/46/98/40/583469840.db2.gz CBMVBQSZCNVLDR-NWDGAFQWSA-N 2 1 272.393 -0.018 20 0 CBADMP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1CCCO)N1CCOCC1 ZINC000849034576 583469980 /nfs/dbraw/zinc/46/99/80/583469980.db2.gz YYPIIGCYWFLRRA-LBPRGKRZSA-N 2 1 270.377 -0.310 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CNC(=O)C1 ZINC000849041475 583471448 /nfs/dbraw/zinc/47/14/48/583471448.db2.gz GMXSGOBONMJEEO-WDEREUQCSA-N 2 1 267.377 -0.279 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@](C)(CO)OC ZINC000849048491 583471936 /nfs/dbraw/zinc/47/19/36/583471936.db2.gz IBLPEEWBORERPV-DGCLKSJQSA-N 2 1 272.393 -0.018 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@](C)(CO)OC ZINC000849048495 583472043 /nfs/dbraw/zinc/47/20/43/583472043.db2.gz IBLPEEWBORERPV-YPMHNXCESA-N 2 1 272.393 -0.018 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000851689937 583522197 /nfs/dbraw/zinc/52/21/97/583522197.db2.gz WBOJNFKCXVXUJD-RYUDHWBXSA-N 2 1 296.415 -0.027 20 0 CBADMP O[C@H](CN1CCC([N@H+]2CC[C@H](O)C2)CC1)C[NH+]1CCCC1 ZINC000852710295 583550910 /nfs/dbraw/zinc/55/09/10/583550910.db2.gz NGVVGWNXYXCUIH-HOTGVXAUSA-N 2 1 297.443 -0.026 20 0 CBADMP COC(=O)[C@]1(F)CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000852753765 583551987 /nfs/dbraw/zinc/55/19/87/583551987.db2.gz RMUOIDCGWRQBFU-LBPRGKRZSA-N 2 1 259.325 -0.521 20 0 CBADMP COC(=O)[C@]1(F)CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000852753765 583551989 /nfs/dbraw/zinc/55/19/89/583551989.db2.gz RMUOIDCGWRQBFU-LBPRGKRZSA-N 2 1 259.325 -0.521 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(NC(=O)OC)CC1 ZINC000852761346 583552267 /nfs/dbraw/zinc/55/22/67/583552267.db2.gz KZZXJGPMJCMACL-GFCCVEGCSA-N 2 1 259.350 -0.223 20 0 CBADMP [NH3+]C[C@H]1CC(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)=NO1 ZINC000852854486 583561060 /nfs/dbraw/zinc/56/10/60/583561060.db2.gz HYPVGVZUUVGNMJ-VXGBXAGGSA-N 2 1 296.371 -0.587 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852856289 583561457 /nfs/dbraw/zinc/56/14/57/583561457.db2.gz YBPBSOYJZBRNNP-RYUDHWBXSA-N 2 1 298.387 -0.437 20 0 CBADMP CC(C)[C@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000852857316 583561712 /nfs/dbraw/zinc/56/17/12/583561712.db2.gz PDQWJUIUZTXKMQ-YPMHNXCESA-N 2 1 298.387 -0.437 20 0 CBADMP CC(C)[C@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000852857313 583561894 /nfs/dbraw/zinc/56/18/94/583561894.db2.gz PDQWJUIUZTXKMQ-AAEUAGOBSA-N 2 1 298.387 -0.437 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852858945 583562126 /nfs/dbraw/zinc/56/21/26/583562126.db2.gz MMTXOAZTMZJFRW-UHFFFAOYSA-N 2 1 294.399 -0.424 20 0 CBADMP [NH3+]C[C@H]1CC(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)=NO1 ZINC000852860808 583562556 /nfs/dbraw/zinc/56/25/56/583562556.db2.gz VIPZMWOWCWOIDQ-GXSJLCMTSA-N 2 1 266.345 -0.310 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852860628 583562587 /nfs/dbraw/zinc/56/25/87/583562587.db2.gz TUPNWJWOZSSAMT-MNOVXSKESA-N 2 1 268.361 -0.110 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)=NO1 ZINC000852864321 583563642 /nfs/dbraw/zinc/56/36/42/583563642.db2.gz SAGGFTDLMNKIMD-OUAUKWLOSA-N 2 1 282.344 -0.931 20 0 CBADMP CC[N@@H+](CCNC(=O)C1=NO[C@H](C[NH3+])C1)C1CC1 ZINC000852864645 583563764 /nfs/dbraw/zinc/56/37/64/583563764.db2.gz CMCADLUVTSBKBV-JTQLQIEISA-N 2 1 254.334 -0.310 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852865148 583564109 /nfs/dbraw/zinc/56/41/09/583564109.db2.gz SLMFQYRLPVWQME-MNOVXSKESA-N 2 1 284.360 -0.683 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)C2=NO[C@@H](C[NH3+])C2)n1C ZINC000852867917 583564780 /nfs/dbraw/zinc/56/47/80/583564780.db2.gz HHISPVCVSDBADK-SECBINFHSA-N 2 1 280.332 -0.794 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852871067 583565040 /nfs/dbraw/zinc/56/50/40/583565040.db2.gz UTKVJOVKFOMGOK-SNVBAGLBSA-N 2 1 272.349 -0.826 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852870791 583565121 /nfs/dbraw/zinc/56/51/21/583565121.db2.gz YEIWPSDZRNOVNG-NXEZZACHSA-N 2 1 254.334 -0.452 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1COC(=O)N1 ZINC000855347089 583636581 /nfs/dbraw/zinc/63/65/81/583636581.db2.gz SNINPTSKNKSLLG-WDEREUQCSA-N 2 1 286.376 -0.517 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1COC(=O)N1 ZINC000855347089 583636582 /nfs/dbraw/zinc/63/65/82/583636582.db2.gz SNINPTSKNKSLLG-WDEREUQCSA-N 2 1 286.376 -0.517 20 0 CBADMP C[C@H](CNC(=O)NCC[C@H](C)[NH3+])CN1CC[NH+](C)CC1 ZINC000857102604 583664446 /nfs/dbraw/zinc/66/44/46/583664446.db2.gz FARUIEBEWQRNTI-OLZOCXBDSA-N 2 1 285.436 -0.094 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859959631 583735088 /nfs/dbraw/zinc/73/50/88/583735088.db2.gz QJDPSPIICKABHL-GRYCIOLGSA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859959631 583735090 /nfs/dbraw/zinc/73/50/90/583735090.db2.gz QJDPSPIICKABHL-GRYCIOLGSA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860165182 583740604 /nfs/dbraw/zinc/74/06/04/583740604.db2.gz SSIKCAQYANNWSH-VXGBXAGGSA-N 2 1 281.356 -0.745 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860165182 583740606 /nfs/dbraw/zinc/74/06/06/583740606.db2.gz SSIKCAQYANNWSH-VXGBXAGGSA-N 2 1 281.356 -0.745 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861557432 583770617 /nfs/dbraw/zinc/77/06/17/583770617.db2.gz YLFFMMCAMOXLBA-LLVKDONJSA-N 2 1 260.382 -0.057 20 0 CBADMP CCN(CC[NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861572686 583771131 /nfs/dbraw/zinc/77/11/31/583771131.db2.gz WOSYGROAOWBZCK-VXGBXAGGSA-N 2 1 270.377 -0.160 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861574837 583771261 /nfs/dbraw/zinc/77/12/61/583771261.db2.gz ZAXZNNXLVFMLGE-ZDEQEGDKSA-N 2 1 282.388 -0.101 20 0 CBADMP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861574848 583771334 /nfs/dbraw/zinc/77/13/34/583771334.db2.gz ZBTZDCKSLPNYPC-JHJVBQTASA-N 2 1 298.387 -0.863 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861585188 583771702 /nfs/dbraw/zinc/77/17/02/583771702.db2.gz BLBSBKCEBDVONF-QWRGUYRKSA-N 2 1 258.366 -0.304 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000861592579 583771941 /nfs/dbraw/zinc/77/19/41/583771941.db2.gz NRUBCQVILHDEJF-CHWSQXEVSA-N 2 1 285.436 -0.142 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000861737164 583782508 /nfs/dbraw/zinc/78/25/08/583782508.db2.gz VYMGUXCRDVUKJG-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000861752269 583784037 /nfs/dbraw/zinc/78/40/37/583784037.db2.gz DJBAVYSBCBSIOP-JFGNBEQYSA-N 2 1 282.388 -0.609 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861763205 583785139 /nfs/dbraw/zinc/78/51/39/583785139.db2.gz LXLDNYQPSCWSSZ-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861786716 583786614 /nfs/dbraw/zinc/78/66/14/583786614.db2.gz OSRARINWWITZBA-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[NH+](C)C1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCC1 ZINC000862647660 583813497 /nfs/dbraw/zinc/81/34/97/583813497.db2.gz UAMVTUVBGKRUKU-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863753258 583852766 /nfs/dbraw/zinc/85/27/66/583852766.db2.gz PSBSAQYMWWIXNA-GFCCVEGCSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863763857 583854768 /nfs/dbraw/zinc/85/47/68/583854768.db2.gz KSAINMVXEQAKLO-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863765703 583855023 /nfs/dbraw/zinc/85/50/23/583855023.db2.gz SHSDFKJYBXXDOP-LLVKDONJSA-N 2 1 295.387 -0.154 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000863768406 583855248 /nfs/dbraw/zinc/85/52/48/583855248.db2.gz OJZKDUIPBMBNLY-YNEHKIRRSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000863774100 583856003 /nfs/dbraw/zinc/85/60/03/583856003.db2.gz PLUFLMGEBXFUFJ-FZMZJTMJSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000864068184 583869384 /nfs/dbraw/zinc/86/93/84/583869384.db2.gz OHTJEBKREYRUOY-OCCSQVGLSA-N 2 1 267.373 -0.252 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000864068184 583869385 /nfs/dbraw/zinc/86/93/85/583869385.db2.gz OHTJEBKREYRUOY-OCCSQVGLSA-N 2 1 267.373 -0.252 20 0 CBADMP CN1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C(C)(C)C1=O ZINC000864096508 583873876 /nfs/dbraw/zinc/87/38/76/583873876.db2.gz BQMIXCGMENFYCP-LLVKDONJSA-N 2 1 267.373 -0.083 20 0 CBADMP CN1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C(C)(C)C1=O ZINC000864096508 583873877 /nfs/dbraw/zinc/87/38/77/583873877.db2.gz BQMIXCGMENFYCP-LLVKDONJSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000864454518 583882487 /nfs/dbraw/zinc/88/24/87/583882487.db2.gz YXGHNCWTGUTSJT-QWRGUYRKSA-N 2 1 267.377 -0.327 20 0 CBADMP C[NH+]1CCC([NH2+]CC(C)(C)CS(N)(=O)=O)CC1 ZINC000865815282 583910531 /nfs/dbraw/zinc/91/05/31/583910531.db2.gz UDVNBGWKPQARBG-UHFFFAOYSA-N 2 1 263.407 -0.015 20 0 CBADMP Cn1nnnc1CC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000866661445 583926222 /nfs/dbraw/zinc/92/62/22/583926222.db2.gz JAILXYDMNZSTOX-UHFFFAOYSA-N 2 1 250.350 -0.031 20 0 CBADMP Cn1nnnc1CC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000866661445 583926223 /nfs/dbraw/zinc/92/62/23/583926223.db2.gz JAILXYDMNZSTOX-UHFFFAOYSA-N 2 1 250.350 -0.031 20 0 CBADMP C[N@H+]1CC[C@H]2CN(CCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703361 583927725 /nfs/dbraw/zinc/92/77/25/583927725.db2.gz HQKXUDYBSKBANM-KBPBESRZSA-N 2 1 252.406 -0.082 20 0 CBADMP CN(C)C(=O)CC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712143 583928021 /nfs/dbraw/zinc/92/80/21/583928021.db2.gz RFDJAYZEHGUHKZ-UTUOFQBUSA-N 2 1 296.371 -0.668 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000866709621 583928055 /nfs/dbraw/zinc/92/80/55/583928055.db2.gz SRQCRXPFLNUWJM-QNWHQSFQSA-N 3 1 280.372 -0.537 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000866709621 583928056 /nfs/dbraw/zinc/92/80/56/583928056.db2.gz SRQCRXPFLNUWJM-QNWHQSFQSA-N 3 1 280.372 -0.537 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000866708170 583928133 /nfs/dbraw/zinc/92/81/33/583928133.db2.gz DCDWEKNLFHJSSB-QNWHQSFQSA-N 2 1 281.356 -0.110 20 0 CBADMP COC[C@H](C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714121 583928380 /nfs/dbraw/zinc/92/83/80/583928380.db2.gz GSBMBKKKSVJEMM-YFKTTZPYSA-N 2 1 269.345 -0.112 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)[C@@H]12 ZINC000866717907 583928570 /nfs/dbraw/zinc/92/85/70/583928570.db2.gz TZTTZYAGNZOKRU-JHJVBQTASA-N 2 1 267.373 -0.035 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000866717886 583928678 /nfs/dbraw/zinc/92/86/78/583928678.db2.gz SMKTXHIDEJCCTJ-WDEREUQCSA-N 2 1 250.350 -0.174 20 0 CBADMP Cn1nnnc1CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000866717886 583928680 /nfs/dbraw/zinc/92/86/80/583928680.db2.gz SMKTXHIDEJCCTJ-WDEREUQCSA-N 2 1 250.350 -0.174 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868385514 583976516 /nfs/dbraw/zinc/97/65/16/583976516.db2.gz SZXDDSJLMHUIMT-UPJWGTAASA-N 2 1 294.399 -0.641 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868385512 583976557 /nfs/dbraw/zinc/97/65/57/583976557.db2.gz SZXDDSJLMHUIMT-FRRDWIJNSA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000868387149 583976636 /nfs/dbraw/zinc/97/66/36/583976636.db2.gz PXWCOQAAFOBMBG-TUAOUCFPSA-N 2 1 280.372 -0.901 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CCC1(C)C ZINC000868404827 583977727 /nfs/dbraw/zinc/97/77/27/583977727.db2.gz GQGKTNFKUHEZLZ-UHFFFAOYSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000868407585 583978161 /nfs/dbraw/zinc/97/81/61/583978161.db2.gz YCLQGJHTLFKBIP-NSHDSACASA-N 2 1 284.404 -0.265 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000869780077 584004290 /nfs/dbraw/zinc/00/42/90/584004290.db2.gz CTOLHTKKOWMCOE-RYUDHWBXSA-N 2 1 285.388 -0.722 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000869780077 584004292 /nfs/dbraw/zinc/00/42/92/584004292.db2.gz CTOLHTKKOWMCOE-RYUDHWBXSA-N 2 1 285.388 -0.722 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000869780077 584004293 /nfs/dbraw/zinc/00/42/93/584004293.db2.gz CTOLHTKKOWMCOE-RYUDHWBXSA-N 2 1 285.388 -0.722 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000869780077 584004295 /nfs/dbraw/zinc/00/42/95/584004295.db2.gz CTOLHTKKOWMCOE-RYUDHWBXSA-N 2 1 285.388 -0.722 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC[C@H]21 ZINC000870981754 584023824 /nfs/dbraw/zinc/02/38/24/584023824.db2.gz JWZADYYIIRYYDU-XPCVCDNBSA-N 2 1 279.384 -0.225 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000870980635 584023829 /nfs/dbraw/zinc/02/38/29/584023829.db2.gz AAHUJWKTDVPIIU-UTUOFQBUSA-N 2 1 253.346 -0.473 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000870981243 584023845 /nfs/dbraw/zinc/02/38/45/584023845.db2.gz GTMYURWLSKUALF-AGIUHOORSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000870980636 584023989 /nfs/dbraw/zinc/02/39/89/584023989.db2.gz AAHUJWKTDVPIIU-WOPDTQHZSA-N 2 1 253.346 -0.473 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870983867 584024504 /nfs/dbraw/zinc/02/45/04/584024504.db2.gz YWMUKAXCIQTAEZ-GARJFASQSA-N 2 1 269.345 -0.571 20 0 CBADMP COCCN(C)C(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000871603254 584043437 /nfs/dbraw/zinc/04/34/37/584043437.db2.gz LTMIERVYEKVFSP-UHFFFAOYSA-N 2 1 285.392 -0.747 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154177 584048312 /nfs/dbraw/zinc/04/83/12/584048312.db2.gz QERVUHPJSYMBEK-SMDDNHRTSA-N 2 1 283.372 -0.451 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC000872201688 584049861 /nfs/dbraw/zinc/04/98/61/584049861.db2.gz HLWYOLDSGBSPJR-GFCCVEGCSA-N 2 1 287.404 -0.738 20 0 CBADMP CC(C)(O)C[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000872213452 584050405 /nfs/dbraw/zinc/05/04/05/584050405.db2.gz OPSMTAULQJZSIR-STQMWFEESA-N 2 1 274.405 -0.055 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000872218197 584050716 /nfs/dbraw/zinc/05/07/16/584050716.db2.gz KWYNXQXCOABEKD-KBPBESRZSA-N 2 1 285.432 -0.122 20 0 CBADMP C[C@]1(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]C1 ZINC000872257788 584052367 /nfs/dbraw/zinc/05/23/67/584052367.db2.gz XACNRVNHNVQJMT-CXTNEJHOSA-N 3 1 294.399 -0.147 20 0 CBADMP C[C@]1(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]C1 ZINC000872257788 584052369 /nfs/dbraw/zinc/05/23/69/584052369.db2.gz XACNRVNHNVQJMT-CXTNEJHOSA-N 3 1 294.399 -0.147 20 0 CBADMP C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)[C@@H]1CCC[NH2+]1 ZINC000873249398 584069241 /nfs/dbraw/zinc/06/92/41/584069241.db2.gz NCZXUZUMCQQXBU-NTZNESFSSA-N 2 1 269.345 -0.062 20 0 CBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCC[NH+]1CCOCC1)C2 ZINC000874430791 584083900 /nfs/dbraw/zinc/08/39/00/584083900.db2.gz NTZZYTCVAUGFBC-DZGCQCFKSA-N 2 1 296.415 -0.040 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876722407 584140623 /nfs/dbraw/zinc/14/06/23/584140623.db2.gz UDORECPXMIUVFQ-RYUDHWBXSA-N 2 1 296.415 -0.360 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000876722438 584140683 /nfs/dbraw/zinc/14/06/83/584140683.db2.gz UTVURQDXJKWJKM-JOCQHMNTSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876722408 584140726 /nfs/dbraw/zinc/14/07/26/584140726.db2.gz UDORECPXMIUVFQ-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP COC[C@]1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C[NH2+]CCO1 ZINC000876729551 584141284 /nfs/dbraw/zinc/14/12/84/584141284.db2.gz QOGQBKKKGJVWTF-GUTXKFCHSA-N 2 1 297.399 -0.266 20 0 CBADMP COC[C@]1(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)C[NH2+]CCO1 ZINC000876733791 584141751 /nfs/dbraw/zinc/14/17/51/584141751.db2.gz HRUWFLMWDXHMLY-ZFWWWQNUSA-N 2 1 299.415 -0.162 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876747222 584141977 /nfs/dbraw/zinc/14/19/77/584141977.db2.gz YMUQIAVHFUKIQS-AWEZNQCLSA-N 2 1 287.404 -0.161 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876745070 584142083 /nfs/dbraw/zinc/14/20/83/584142083.db2.gz YPZOFERSIFZYSP-LPWJVIDDSA-N 2 1 285.363 -0.087 20 0 CBADMP [NH3+]C[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCCOC1 ZINC000876743771 584142148 /nfs/dbraw/zinc/14/21/48/584142148.db2.gz IMKIHGQROBSONG-GZBFAFLISA-N 2 1 297.399 -0.279 20 0 CBADMP CN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000876753384 584142415 /nfs/dbraw/zinc/14/24/15/584142415.db2.gz DXLJTXVXMUZNAN-RYUDHWBXSA-N 2 1 254.378 -0.430 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000876753959 584142483 /nfs/dbraw/zinc/14/24/83/584142483.db2.gz LESJVCNOCZGXBH-NEPJUHHUSA-N 2 1 254.378 -0.524 20 0 CBADMP COC[C@]1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[NH2+]CCO1 ZINC000876754040 584142899 /nfs/dbraw/zinc/14/28/99/584142899.db2.gz LVRYDKNEOCHPHB-ZFWWWQNUSA-N 2 1 297.399 -0.408 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000876756829 584142918 /nfs/dbraw/zinc/14/29/18/584142918.db2.gz ZNNCDBSTBABCSN-GUBZILKMSA-N 2 1 277.315 -0.337 20 0 CBADMP COC[C@@]1(C(=O)NCC[N@@H+](C)C2CCCC2)C[NH2+]CCO1 ZINC000876756186 584142937 /nfs/dbraw/zinc/14/29/37/584142937.db2.gz QAZKEJVOTCXJKL-OAHLLOKOSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000876775098 584143871 /nfs/dbraw/zinc/14/38/71/584143871.db2.gz OHPQCTZGUCXBFO-HIFRSBDPSA-N 2 1 299.415 -0.208 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876841855 584148498 /nfs/dbraw/zinc/14/84/98/584148498.db2.gz DMCBFIAIKKDXMC-GUBZILKMSA-N 2 1 299.325 -0.267 20 0 CBADMP O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000876848514 584149434 /nfs/dbraw/zinc/14/94/34/584149434.db2.gz SQSSHCNYXYXQSV-DHCBQETCSA-N 2 1 267.373 -0.321 20 0 CBADMP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000876848517 584149518 /nfs/dbraw/zinc/14/95/18/584149518.db2.gz SQSSHCNYXYXQSV-SCOBNMCVSA-N 2 1 267.373 -0.321 20 0 CBADMP O=C(NCC[N@@H+]1CCCOCC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876891141 584153574 /nfs/dbraw/zinc/15/35/74/584153574.db2.gz RCMPDZYBGWGPIM-VXGBXAGGSA-N 2 1 273.352 -0.228 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876891141 584153576 /nfs/dbraw/zinc/15/35/76/584153576.db2.gz RCMPDZYBGWGPIM-VXGBXAGGSA-N 2 1 273.352 -0.228 20 0 CBADMP C[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876953159 584157853 /nfs/dbraw/zinc/15/78/53/584157853.db2.gz ZOTXMRUGUOBKRN-NDBYEHHHSA-N 2 1 286.420 -0.511 20 0 CBADMP C[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876953159 584157855 /nfs/dbraw/zinc/15/78/55/584157855.db2.gz ZOTXMRUGUOBKRN-NDBYEHHHSA-N 2 1 286.420 -0.511 20 0 CBADMP COC[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH2+]CCO1 ZINC000876968494 584158859 /nfs/dbraw/zinc/15/88/59/584158859.db2.gz QQRCQOFZBZNXPD-VYHDIPPYSA-N 2 1 297.399 -0.267 20 0 CBADMP COC[C@]1(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C[NH2+]CCO1 ZINC000877250107 584172500 /nfs/dbraw/zinc/17/25/00/584172500.db2.gz NJFWPZMJSWBRJS-GUTXKFCHSA-N 2 1 297.399 -0.456 20 0 CBADMP C[C@H](C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)N1CC[NH+](C)CC1 ZINC000877373773 584179957 /nfs/dbraw/zinc/17/99/57/584179957.db2.gz IOYACWTWARAODK-VNHYZAJKSA-N 2 1 280.416 -0.310 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c(=O)n(C)c1=O ZINC000877743657 584185124 /nfs/dbraw/zinc/18/51/24/584185124.db2.gz LQSHUIASJRPHHT-YPMHNXCESA-N 2 1 292.383 -0.390 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c(=O)n(C)c1=O ZINC000877743657 584185126 /nfs/dbraw/zinc/18/51/26/584185126.db2.gz LQSHUIASJRPHHT-YPMHNXCESA-N 2 1 292.383 -0.390 20 0 CBADMP Cn1cc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(=O)n(C)c1=O ZINC000877743657 584185127 /nfs/dbraw/zinc/18/51/27/584185127.db2.gz LQSHUIASJRPHHT-YPMHNXCESA-N 2 1 292.383 -0.390 20 0 CBADMP Cn1cc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c(=O)n(C)c1=O ZINC000877743657 584185129 /nfs/dbraw/zinc/18/51/29/584185129.db2.gz LQSHUIASJRPHHT-YPMHNXCESA-N 2 1 292.383 -0.390 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c(=O)n(C)c1=O ZINC000877743646 584185256 /nfs/dbraw/zinc/18/52/56/584185256.db2.gz LQSHUIASJRPHHT-AAEUAGOBSA-N 2 1 292.383 -0.390 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c(=O)n(C)c1=O ZINC000877743646 584185259 /nfs/dbraw/zinc/18/52/59/584185259.db2.gz LQSHUIASJRPHHT-AAEUAGOBSA-N 2 1 292.383 -0.390 20 0 CBADMP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(=O)n(C)c1=O ZINC000877743646 584185261 /nfs/dbraw/zinc/18/52/61/584185261.db2.gz LQSHUIASJRPHHT-AAEUAGOBSA-N 2 1 292.383 -0.390 20 0 CBADMP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(=O)n(C)c1=O ZINC000877743646 584185262 /nfs/dbraw/zinc/18/52/62/584185262.db2.gz LQSHUIASJRPHHT-AAEUAGOBSA-N 2 1 292.383 -0.390 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+](CCO)C2CC2)CC1 ZINC000877961120 584188851 /nfs/dbraw/zinc/18/88/51/584188851.db2.gz FSGLFOYZKUJPHH-UHFFFAOYSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+](CCO)C2CC2)CC1 ZINC000877961120 584188854 /nfs/dbraw/zinc/18/88/54/584188854.db2.gz FSGLFOYZKUJPHH-UHFFFAOYSA-N 2 1 255.362 -0.347 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000877975270 584189410 /nfs/dbraw/zinc/18/94/10/584189410.db2.gz IJZQTCZCZBKLIO-NSHDSACASA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000877975270 584189411 /nfs/dbraw/zinc/18/94/11/584189411.db2.gz IJZQTCZCZBKLIO-NSHDSACASA-N 2 1 283.372 -0.308 20 0 CBADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)CC(C)(CO)CO ZINC000878202747 584196568 /nfs/dbraw/zinc/19/65/68/584196568.db2.gz XFJGBQCWTBMCMP-UHFFFAOYSA-N 2 1 287.404 -0.881 20 0 CBADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)CC(C)(CO)CO ZINC000878202747 584196571 /nfs/dbraw/zinc/19/65/71/584196571.db2.gz XFJGBQCWTBMCMP-UHFFFAOYSA-N 2 1 287.404 -0.881 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H]1O ZINC000878336460 584200744 /nfs/dbraw/zinc/20/07/44/584200744.db2.gz YCOVFWQREFTFOS-ZYHUDNBSSA-N 2 1 255.362 -0.491 20 0 CBADMP CN(CCC[N@@H+](C)CCn1cnnn1)CC[NH+](C)C ZINC000878623372 584210899 /nfs/dbraw/zinc/21/08/99/584210899.db2.gz LNTHXMWAAVZENW-UHFFFAOYSA-N 2 1 269.397 -0.512 20 0 CBADMP COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)NC3CC[NH+](C)CC3)C[C@@H]21 ZINC000878641265 584211419 /nfs/dbraw/zinc/21/14/19/584211419.db2.gz RSPNSRVZKARZTQ-IMRBUKKESA-N 2 1 295.383 -0.452 20 0 CBADMP COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)NC3CC[NH+](C)CC3)C[C@@H]21 ZINC000878641265 584211422 /nfs/dbraw/zinc/21/14/22/584211422.db2.gz RSPNSRVZKARZTQ-IMRBUKKESA-N 2 1 295.383 -0.452 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)CC1 ZINC000878670514 584212978 /nfs/dbraw/zinc/21/29/78/584212978.db2.gz XVQUFNZBRITAAG-ZDUSSCGKSA-N 2 1 291.342 -0.101 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](O)(C(F)F)C2)CC1 ZINC000878670514 584212979 /nfs/dbraw/zinc/21/29/79/584212979.db2.gz XVQUFNZBRITAAG-ZDUSSCGKSA-N 2 1 291.342 -0.101 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000878770123 584216584 /nfs/dbraw/zinc/21/65/84/584216584.db2.gz UDEWUOPHRKBMTC-UHFFFAOYSA-N 2 1 280.376 -0.451 20 0 CBADMP Cn1nnnc1CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000878770123 584216587 /nfs/dbraw/zinc/21/65/87/584216587.db2.gz UDEWUOPHRKBMTC-UHFFFAOYSA-N 2 1 280.376 -0.451 20 0 CBADMP C[NH+](C)CCC[C@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000879001183 584223360 /nfs/dbraw/zinc/22/33/60/584223360.db2.gz RUGIHEKFTBIJEJ-LBPRGKRZSA-N 2 1 268.365 -0.284 20 0 CBADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000879001183 584223362 /nfs/dbraw/zinc/22/33/62/584223362.db2.gz RUGIHEKFTBIJEJ-LBPRGKRZSA-N 2 1 268.365 -0.284 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000879998384 584258992 /nfs/dbraw/zinc/25/89/92/584258992.db2.gz RKFTYVHNAXLEIE-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000879998383 584259040 /nfs/dbraw/zinc/25/90/40/584259040.db2.gz RKFTYVHNAXLEIE-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP OC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC[NH+]1CCOCC1 ZINC000880069804 584260607 /nfs/dbraw/zinc/26/06/07/584260607.db2.gz YYQTXIVWEXJUEB-LSDHHAIUSA-N 2 1 283.416 -0.150 20 0 CBADMP OC[C@H]1C[N@H+]2CCC[C@H]2CN1CCC[NH+]1CCOCC1 ZINC000880069804 584260609 /nfs/dbraw/zinc/26/06/09/584260609.db2.gz YYQTXIVWEXJUEB-LSDHHAIUSA-N 2 1 283.416 -0.150 20 0 CBADMP C[N@@H+](C[C@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1CO)C1CC1 ZINC000880072971 584261041 /nfs/dbraw/zinc/26/10/41/584261041.db2.gz NSVRYYCVYOMQLH-ZNMIVQPWSA-N 2 1 283.416 -0.418 20 0 CBADMP C[NH+](C[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)C1CC1 ZINC000880072971 584261042 /nfs/dbraw/zinc/26/10/42/584261042.db2.gz NSVRYYCVYOMQLH-ZNMIVQPWSA-N 2 1 283.416 -0.418 20 0 CBADMP C[NH+](C[C@H](O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)C1CC1 ZINC000880072971 584261044 /nfs/dbraw/zinc/26/10/44/584261044.db2.gz NSVRYYCVYOMQLH-ZNMIVQPWSA-N 2 1 283.416 -0.418 20 0 CBADMP CO[C@H]1COCC[C@H]1[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000880433670 584273594 /nfs/dbraw/zinc/27/35/94/584273594.db2.gz ZBPIKOMIEULZCD-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP CO[C@H]1COCC[C@H]1[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000880433670 584273596 /nfs/dbraw/zinc/27/35/96/584273596.db2.gz ZBPIKOMIEULZCD-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000883385212 584340881 /nfs/dbraw/zinc/34/08/81/584340881.db2.gz HKVGQAHLHJASKJ-QWHCGFSZSA-N 2 1 283.420 -0.374 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000883385212 584340884 /nfs/dbraw/zinc/34/08/84/584340884.db2.gz HKVGQAHLHJASKJ-QWHCGFSZSA-N 2 1 283.420 -0.374 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000883385212 584340886 /nfs/dbraw/zinc/34/08/86/584340886.db2.gz HKVGQAHLHJASKJ-QWHCGFSZSA-N 2 1 283.420 -0.374 20 0 CBADMP NS(=O)(=O)CCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000883428342 584341672 /nfs/dbraw/zinc/34/16/72/584341672.db2.gz RKMUPLUVTOALFK-NSHDSACASA-N 2 1 261.391 -0.260 20 0 CBADMP NS(=O)(=O)CCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000883428342 584341673 /nfs/dbraw/zinc/34/16/73/584341673.db2.gz RKMUPLUVTOALFK-NSHDSACASA-N 2 1 261.391 -0.260 20 0 CBADMP O=C1C[NH2+]CCN1[C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883424749 584341709 /nfs/dbraw/zinc/34/17/09/584341709.db2.gz CFKMCGLXYKSMBY-RWMBFGLXSA-N 2 1 284.379 -0.417 20 0 CBADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CCC2(CCOCC2)O1 ZINC000883430001 584341954 /nfs/dbraw/zinc/34/19/54/584341954.db2.gz LEBKCWGOEWTIDH-NEPJUHHUSA-N 2 1 258.362 -0.034 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CCC2(CCOCC2)O1 ZINC000883430001 584341957 /nfs/dbraw/zinc/34/19/57/584341957.db2.gz LEBKCWGOEWTIDH-NEPJUHHUSA-N 2 1 258.362 -0.034 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](CCc2cn[nH]c2)C1 ZINC000883439222 584342429 /nfs/dbraw/zinc/34/24/29/584342429.db2.gz LZVPVXDQLILFDM-RWMBFGLXSA-N 2 1 291.355 -0.181 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000883640057 584345801 /nfs/dbraw/zinc/34/58/01/584345801.db2.gz FPTMRXRUABPTQY-UHFFFAOYSA-N 2 1 270.377 -0.783 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000883640057 584345803 /nfs/dbraw/zinc/34/58/03/584345803.db2.gz FPTMRXRUABPTQY-UHFFFAOYSA-N 2 1 270.377 -0.783 20 0 CBADMP COCC[C@H]([NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000884183465 584364718 /nfs/dbraw/zinc/36/47/18/584364718.db2.gz NQWMSRWIKWIZDI-QWHCGFSZSA-N 2 1 287.404 -0.177 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884183078 584364765 /nfs/dbraw/zinc/36/47/65/584364765.db2.gz BUHAHGASMWLCQU-FRRDWIJNSA-N 2 1 287.404 -0.034 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000884188162 584364781 /nfs/dbraw/zinc/36/47/81/584364781.db2.gz ARYSKXSFWOPVFH-GFCCVEGCSA-N 2 1 296.415 -0.488 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000884182729 584364785 /nfs/dbraw/zinc/36/47/85/584364785.db2.gz RFSJKQRSLLOJAA-UTUOFQBUSA-N 2 1 287.404 -0.036 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000884191240 584365315 /nfs/dbraw/zinc/36/53/15/584365315.db2.gz YUHMJRSRQPPGGO-GFCCVEGCSA-N 2 1 296.415 -0.441 20 0 CBADMP COCC[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000884206307 584366769 /nfs/dbraw/zinc/36/67/69/584366769.db2.gz RKWHKOJGIXNPNB-NEPJUHHUSA-N 2 1 273.377 -0.565 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000884211402 584367137 /nfs/dbraw/zinc/36/71/37/584367137.db2.gz CKBNYJWOYPPYRP-SRVKXCTJSA-N 2 1 271.361 -0.982 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000884236095 584369302 /nfs/dbraw/zinc/36/93/02/584369302.db2.gz MJCVZEWXDGSMRX-STQMWFEESA-N 2 1 284.404 -0.802 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884312556 584373704 /nfs/dbraw/zinc/37/37/04/584373704.db2.gz IYEDIIWXGREGJJ-XQQFMLRXSA-N 2 1 287.404 -0.082 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884312556 584373706 /nfs/dbraw/zinc/37/37/06/584373706.db2.gz IYEDIIWXGREGJJ-XQQFMLRXSA-N 2 1 287.404 -0.082 20 0 CBADMP CC1(C)C[NH2+]C[C@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000884431626 584381223 /nfs/dbraw/zinc/38/12/23/584381223.db2.gz ZJZMTZVZADHLRS-RYUDHWBXSA-N 2 1 296.415 -0.312 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884508509 584385759 /nfs/dbraw/zinc/38/57/59/584385759.db2.gz GTVCNCAIOURJCP-ZYHUDNBSSA-N 2 1 293.371 -0.354 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884545553 584387337 /nfs/dbraw/zinc/38/73/37/584387337.db2.gz LJLQRXDLVNDGNZ-GXSJLCMTSA-N 2 1 279.344 -0.744 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884545860 584387368 /nfs/dbraw/zinc/38/73/68/584387368.db2.gz UQUNRDDSEITFFI-TXEJJXNPSA-N 2 1 291.355 -0.729 20 0 CBADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000884623728 584391425 /nfs/dbraw/zinc/39/14/25/584391425.db2.gz MPSYAHJJNMSTPV-NTZNESFSSA-N 2 1 294.399 -0.299 20 0 CBADMP CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884626856 584391782 /nfs/dbraw/zinc/39/17/82/584391782.db2.gz XIJUPJJOLVKGPO-NWDGAFQWSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884627597 584391959 /nfs/dbraw/zinc/39/19/59/584391959.db2.gz VQTAUMLGGQSTDF-GRYCIOLGSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884627600 584392003 /nfs/dbraw/zinc/39/20/03/584392003.db2.gz VQTAUMLGGQSTDF-WOPDTQHZSA-N 2 1 294.399 -0.465 20 0 CBADMP CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000884631379 584392225 /nfs/dbraw/zinc/39/22/25/584392225.db2.gz IGPXXPGLBRZDFP-LBPRGKRZSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000884631561 584392304 /nfs/dbraw/zinc/39/23/04/584392304.db2.gz OFOGQMHFXNIJRJ-WXHSDQCUSA-N 2 1 294.399 -0.465 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884669808 584393674 /nfs/dbraw/zinc/39/36/74/584393674.db2.gz HMPKVGKZKOUYMF-ZDEQEGDKSA-N 2 1 292.383 -0.698 20 0 CBADMP CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000884669692 584393698 /nfs/dbraw/zinc/39/36/98/584393698.db2.gz DFHUGBXOAHSSKL-NEPJUHHUSA-N 2 1 296.415 -0.027 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1(C)C ZINC000884674645 584394609 /nfs/dbraw/zinc/39/46/09/584394609.db2.gz BRBWFLQLKHDAAD-UHFFFAOYSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1(C)C ZINC000884674645 584394612 /nfs/dbraw/zinc/39/46/12/584394612.db2.gz BRBWFLQLKHDAAD-UHFFFAOYSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC[C@H]21 ZINC000884678754 584395329 /nfs/dbraw/zinc/39/53/29/584395329.db2.gz LSWZRDMAHKWYQD-FRRDWIJNSA-N 2 1 294.399 -0.608 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1(C)C ZINC000884678823 584395352 /nfs/dbraw/zinc/39/53/52/584395352.db2.gz NLCHYJFNUCWVBY-JTQLQIEISA-N 2 1 268.361 -0.983 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1(C)C ZINC000884678823 584395355 /nfs/dbraw/zinc/39/53/55/584395355.db2.gz NLCHYJFNUCWVBY-JTQLQIEISA-N 2 1 268.361 -0.983 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CCC1(C)C ZINC000884693295 584398025 /nfs/dbraw/zinc/39/80/25/584398025.db2.gz TYLNWVCRJFSXHW-UHFFFAOYSA-N 2 1 268.361 -0.983 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000884704127 584398914 /nfs/dbraw/zinc/39/89/14/584398914.db2.gz VPHFMMXXNTYLTK-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884704333 584398976 /nfs/dbraw/zinc/39/89/76/584398976.db2.gz BHZLXHMDGOFMJV-SECBINFHSA-N 2 1 256.350 -0.998 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884704333 584398978 /nfs/dbraw/zinc/39/89/78/584398978.db2.gz BHZLXHMDGOFMJV-SECBINFHSA-N 2 1 256.350 -0.998 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCC1(C)C ZINC000884707070 584399661 /nfs/dbraw/zinc/39/96/61/584399661.db2.gz XENQYIWUMICLCO-LBPRGKRZSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884716955 584400132 /nfs/dbraw/zinc/40/01/32/584400132.db2.gz OAPUENGPPIYPJG-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884716955 584400134 /nfs/dbraw/zinc/40/01/34/584400134.db2.gz OAPUENGPPIYPJG-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1(C)C ZINC000884724057 584400794 /nfs/dbraw/zinc/40/07/94/584400794.db2.gz HNTOXPQRQLILAW-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1(C)C ZINC000884724057 584400797 /nfs/dbraw/zinc/40/07/97/584400797.db2.gz HNTOXPQRQLILAW-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000884796249 584402453 /nfs/dbraw/zinc/40/24/53/584402453.db2.gz FCHZQGDAYSJEMF-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC000885195567 584409632 /nfs/dbraw/zinc/40/96/32/584409632.db2.gz NBLCQNFIPCOFGN-SNVBAGLBSA-N 2 1 270.377 -0.560 20 0 CBADMP CN(C(=O)C(=O)NCCC(C)(C)[NH3+])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000885203880 584410080 /nfs/dbraw/zinc/41/00/80/584410080.db2.gz CUTLQMRQJPWENL-GFCCVEGCSA-N 2 1 296.415 -0.075 20 0 CBADMP CN(C(=O)C(=O)NCCC(C)(C)[NH3+])[C@H]1CC[N@H+](C2CC2)C1 ZINC000885203881 584410170 /nfs/dbraw/zinc/41/01/70/584410170.db2.gz CUTLQMRQJPWENL-LBPRGKRZSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)[C@H]1CC[C@H]([N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000886389504 584438776 /nfs/dbraw/zinc/43/87/76/584438776.db2.gz LZDSWGDDYHTXSK-BJDJZHNGSA-N 2 1 284.404 -0.091 20 0 CBADMP CCN(C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000887070109 584461505 /nfs/dbraw/zinc/46/15/05/584461505.db2.gz FYXIVERWDALHSD-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000887070109 584461507 /nfs/dbraw/zinc/46/15/07/584461507.db2.gz FYXIVERWDALHSD-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)[NH+](C)C ZINC000889744163 584534780 /nfs/dbraw/zinc/53/47/80/584534780.db2.gz KPDBETSABZAPMX-YNEHKIRRSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[NH+](C)C ZINC000889744162 584534844 /nfs/dbraw/zinc/53/48/44/584534844.db2.gz KPDBETSABZAPMX-XQQFMLRXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[NH+](C)CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889768708 584536233 /nfs/dbraw/zinc/53/62/33/584536233.db2.gz GYIULPCZENSDSU-NEPJUHHUSA-N 2 1 255.362 -0.394 20 0 CBADMP C[NH+](C)CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889768708 584536235 /nfs/dbraw/zinc/53/62/35/584536235.db2.gz GYIULPCZENSDSU-NEPJUHHUSA-N 2 1 255.362 -0.394 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000890070400 584541097 /nfs/dbraw/zinc/54/10/97/584541097.db2.gz YBYGDVUPRIWDIU-LBPRGKRZSA-N 2 1 284.404 -0.164 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891492800 584582612 /nfs/dbraw/zinc/58/26/12/584582612.db2.gz JGALZLNACHFPME-MNOVXSKESA-N 2 1 258.366 -0.304 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891514663 584583573 /nfs/dbraw/zinc/58/35/73/584583573.db2.gz WHBHULFDAZLOSX-ZDEQEGDKSA-N 2 1 280.372 -0.395 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891514662 584583587 /nfs/dbraw/zinc/58/35/87/584583587.db2.gz WHBHULFDAZLOSX-RNJOBUHISA-N 2 1 280.372 -0.395 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000891539464 584584624 /nfs/dbraw/zinc/58/46/24/584584624.db2.gz BBCJKILVYSKGBY-RWMBFGLXSA-N 2 1 283.420 -0.199 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000891539463 584584639 /nfs/dbraw/zinc/58/46/39/584584639.db2.gz BBCJKILVYSKGBY-JHJVBQTASA-N 2 1 283.420 -0.199 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891539445 584584694 /nfs/dbraw/zinc/58/46/94/584584694.db2.gz ARPQQDPCBZYARR-UMVBOHGHSA-N 2 1 295.431 -0.184 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000891540821 584584767 /nfs/dbraw/zinc/58/47/67/584584767.db2.gz YGHYMONSHMQNOW-OWYJLGKBSA-N 2 1 295.431 -0.103 20 0 CBADMP CCN(C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CC[NH2+]C1 ZINC000891540390 584584818 /nfs/dbraw/zinc/58/48/18/584584818.db2.gz QALNIDLXVSHAOV-CHWSQXEVSA-N 2 1 283.420 -0.374 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000891575066 584586481 /nfs/dbraw/zinc/58/64/81/584586481.db2.gz DFCBQLHOFUVMQB-TUAOUCFPSA-N 2 1 270.377 -0.256 20 0 CBADMP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[N@H+](C)CCO1 ZINC000891699007 584590310 /nfs/dbraw/zinc/59/03/10/584590310.db2.gz XHVWWCBYJPBWQK-WUHRBBMRSA-N 2 1 282.388 -0.149 20 0 CBADMP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[N@@H+](C)CCO1 ZINC000891699007 584590313 /nfs/dbraw/zinc/59/03/13/584590313.db2.gz XHVWWCBYJPBWQK-WUHRBBMRSA-N 2 1 282.388 -0.149 20 0 CBADMP NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2CO)CC1 ZINC000891936067 584594575 /nfs/dbraw/zinc/59/45/75/584594575.db2.gz UWGRWTNHEWDORO-UHFFFAOYSA-N 2 1 264.329 -0.429 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000892004245 584598640 /nfs/dbraw/zinc/59/86/40/584598640.db2.gz CDTSUDFYXACZSO-RYUDHWBXSA-N 2 1 284.404 -0.117 20 0 CBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC(F)(F)C[NH3+])C2 ZINC000892065197 584602779 /nfs/dbraw/zinc/60/27/79/584602779.db2.gz NKITZDJUDJBJCB-WCBMZHEXSA-N 2 1 262.304 -0.169 20 0 CBADMP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)[C@H](C)[NH3+] ZINC000892140977 584605815 /nfs/dbraw/zinc/60/58/15/584605815.db2.gz GIEOHUNKTKKGPZ-AXFHLTTASA-N 2 1 272.393 -0.134 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000892551913 584618286 /nfs/dbraw/zinc/61/82/86/584618286.db2.gz PPYAKCJKUXUMEN-XQQFMLRXSA-N 2 1 284.404 -0.130 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000892567068 584619279 /nfs/dbraw/zinc/61/92/79/584619279.db2.gz PPYAKCJKUXUMEN-AVGNSLFASA-N 2 1 284.404 -0.130 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000892855827 584628533 /nfs/dbraw/zinc/62/85/33/584628533.db2.gz WDYUJUIDAIPRAY-GFCCVEGCSA-N 2 1 258.366 -0.520 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[C@@H]1C[NH+](C)CCO1 ZINC000893764243 584645144 /nfs/dbraw/zinc/64/51/44/584645144.db2.gz LIHUPMXSMKNMKW-FQUUOJAGSA-N 2 1 296.415 -0.092 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[C@@H]1C[NH+](C)CCO1 ZINC000893764243 584645146 /nfs/dbraw/zinc/64/51/46/584645146.db2.gz LIHUPMXSMKNMKW-FQUUOJAGSA-N 2 1 296.415 -0.092 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000893764243 584645149 /nfs/dbraw/zinc/64/51/49/584645149.db2.gz LIHUPMXSMKNMKW-FQUUOJAGSA-N 2 1 296.415 -0.092 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000893764243 584645152 /nfs/dbraw/zinc/64/51/52/584645152.db2.gz LIHUPMXSMKNMKW-FQUUOJAGSA-N 2 1 296.415 -0.092 20 0 CBADMP C[NH+](C)CCOCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000894366650 584656766 /nfs/dbraw/zinc/65/67/66/584656766.db2.gz MVQCWXXZNLCBRK-QWHCGFSZSA-N 2 1 284.404 -0.090 20 0 CBADMP C[N@H+]1C[C@@]2(C)CN(c3nc(N)[nH+]c(N)n3)C[C@@]2(C)C1 ZINC000894802631 584664532 /nfs/dbraw/zinc/66/45/32/584664532.db2.gz QYENHUGZECNHGC-TXEJJXNPSA-N 2 1 263.349 -0.186 20 0 CBADMP C[NH+](C)CC[C@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000895324028 584675909 /nfs/dbraw/zinc/67/59/09/584675909.db2.gz CPRMZTXRZQNXDB-QMMMGPOBSA-N 2 1 251.338 -0.186 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896096962 584692266 /nfs/dbraw/zinc/69/22/66/584692266.db2.gz MMIDOKMICKGHRA-ZDUSSCGKSA-N 2 1 285.388 -0.599 20 0 CBADMP C[NH+]1CCC(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)CC1 ZINC000897274947 584711085 /nfs/dbraw/zinc/71/10/85/584711085.db2.gz AMHYJWIKIYGBGL-LBPRGKRZSA-N 2 1 288.417 -0.838 20 0 CBADMP COCC[NH+](CCOC)C1CN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000898250110 584733322 /nfs/dbraw/zinc/73/33/22/584733322.db2.gz KAMXRSNUBKPSSH-LBPRGKRZSA-N 2 1 287.404 -0.258 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899224864 584753715 /nfs/dbraw/zinc/75/37/15/584753715.db2.gz VLZQPZMPWMFBBN-OLZOCXBDSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CCC[NH+](C)CC2)C1 ZINC000899936331 584785977 /nfs/dbraw/zinc/78/59/77/584785977.db2.gz ZEZXZJTXYSFQLV-CQSZACIVSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CCC[N@H+](C)CC2)C1 ZINC000899936331 584785978 /nfs/dbraw/zinc/78/59/78/584785978.db2.gz ZEZXZJTXYSFQLV-CQSZACIVSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000899936331 584785980 /nfs/dbraw/zinc/78/59/80/584785980.db2.gz ZEZXZJTXYSFQLV-CQSZACIVSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+](C)C(C)(C)CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000899963064 584786983 /nfs/dbraw/zinc/78/69/83/584786983.db2.gz BCBZWMFATIEYAB-MFKMUULPSA-N 2 1 257.378 -0.102 20 0 CBADMP COCC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900383744 584801495 /nfs/dbraw/zinc/80/14/95/584801495.db2.gz XLDMWXXUQGAFQK-UKRRQHHQSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)CCn1ccc(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)n1 ZINC000900443481 584804669 /nfs/dbraw/zinc/80/46/69/584804669.db2.gz UTHWMSWTGNVWSC-RISCZKNCSA-N 2 1 295.387 -0.162 20 0 CBADMP C[NH+](C)CCn1ccc(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)n1 ZINC000900443481 584804670 /nfs/dbraw/zinc/80/46/70/584804670.db2.gz UTHWMSWTGNVWSC-RISCZKNCSA-N 2 1 295.387 -0.162 20 0 CBADMP COCCN(CC[NH+](C)C)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900587332 584813901 /nfs/dbraw/zinc/81/39/01/584813901.db2.gz NJLRTKZPIFMNAE-JSGCOSHPSA-N 2 1 287.404 -0.522 20 0 CBADMP COCCN(CC[NH+](C)C)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900587334 584813931 /nfs/dbraw/zinc/81/39/31/584813931.db2.gz NJLRTKZPIFMNAE-TZMCWYRMSA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900602780 584814989 /nfs/dbraw/zinc/81/49/89/584814989.db2.gz KFSRWPKGXSKGDW-DZGCQCFKSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900602780 584814990 /nfs/dbraw/zinc/81/49/90/584814990.db2.gz KFSRWPKGXSKGDW-DZGCQCFKSA-N 2 1 299.415 -0.642 20 0 CBADMP C[NH+](C)CCCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900691480 584822172 /nfs/dbraw/zinc/82/21/72/584822172.db2.gz YPHLVBZPYXDFBJ-DGCLKSJQSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCCCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900691482 584822220 /nfs/dbraw/zinc/82/22/20/584822220.db2.gz YPHLVBZPYXDFBJ-YPMHNXCESA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000900698532 584823024 /nfs/dbraw/zinc/82/30/24/584823024.db2.gz HJTGFUOHKYGCBJ-AAEUAGOBSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900698532 584823026 /nfs/dbraw/zinc/82/30/26/584823026.db2.gz HJTGFUOHKYGCBJ-AAEUAGOBSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900698532 584823028 /nfs/dbraw/zinc/82/30/28/584823028.db2.gz HJTGFUOHKYGCBJ-AAEUAGOBSA-N 2 1 257.378 -0.102 20 0 CBADMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1C[N@@H+](C)CCN1C ZINC000900802287 584827737 /nfs/dbraw/zinc/82/77/37/584827737.db2.gz DOAILMUNZBDGRF-OLZOCXBDSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1C[N@@H+](C)CCN1C ZINC000900812006 584828324 /nfs/dbraw/zinc/82/83/24/584828324.db2.gz QLMNFFWWMRCTNS-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000901184250 584853881 /nfs/dbraw/zinc/85/38/81/584853881.db2.gz CLRRFUCZIOVZPC-KBPBESRZSA-N 2 1 287.404 -0.738 20 0 CBADMP C[NH+](C)CCn1nccc1C(=O)NCC[NH+]1CCC1 ZINC000901181678 584853952 /nfs/dbraw/zinc/85/39/52/584853952.db2.gz VNIHSDLZLRBKDW-UHFFFAOYSA-N 2 1 265.361 -0.120 20 0 CBADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](CCO)CCN2CCOCC2)C1 ZINC000903442701 584890525 /nfs/dbraw/zinc/89/05/25/584890525.db2.gz ZBABPGAXNNTYRL-UONOGXRCSA-N 2 1 271.405 -0.260 20 0 CBADMP CON1CC[C@@H]([N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000903458851 584890655 /nfs/dbraw/zinc/89/06/55/584890655.db2.gz LRUOIGFYRPRNLE-NWDGAFQWSA-N 2 1 294.359 -0.464 20 0 CBADMP CON1CC[C@@H]([N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000903458851 584890656 /nfs/dbraw/zinc/89/06/56/584890656.db2.gz LRUOIGFYRPRNLE-NWDGAFQWSA-N 2 1 294.359 -0.464 20 0 CBADMP CON1CC[C@H]([N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000903458850 584890679 /nfs/dbraw/zinc/89/06/79/584890679.db2.gz LRUOIGFYRPRNLE-NEPJUHHUSA-N 2 1 294.359 -0.464 20 0 CBADMP CON1CC[C@H]([N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000903458850 584890680 /nfs/dbraw/zinc/89/06/80/584890680.db2.gz LRUOIGFYRPRNLE-NEPJUHHUSA-N 2 1 294.359 -0.464 20 0 CBADMP CON1CC[C@@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000903453758 584890722 /nfs/dbraw/zinc/89/07/22/584890722.db2.gz KOETXWFKINXVJG-VXGBXAGGSA-N 2 1 268.361 -0.872 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903476294 584891085 /nfs/dbraw/zinc/89/10/85/584891085.db2.gz TZHSBRLZZOWEPS-HTOAHKCRSA-N 3 1 294.399 -0.291 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903476294 584891087 /nfs/dbraw/zinc/89/10/87/584891087.db2.gz TZHSBRLZZOWEPS-HTOAHKCRSA-N 3 1 294.399 -0.291 20 0 CBADMP CNC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903476097 584891179 /nfs/dbraw/zinc/89/11/79/584891179.db2.gz NLIAOTPNTNOHBN-WOPDTQHZSA-N 2 1 270.377 -0.256 20 0 CBADMP CNC(=O)NC[C@H]1COCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903476097 584891180 /nfs/dbraw/zinc/89/11/80/584891180.db2.gz NLIAOTPNTNOHBN-WOPDTQHZSA-N 2 1 270.377 -0.256 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2 ZINC000903491891 584891632 /nfs/dbraw/zinc/89/16/32/584891632.db2.gz FNHWSHILRCHDTN-ZOWXZIJZSA-N 2 1 295.383 -0.275 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)N(C)C1CC1)C2 ZINC000903492928 584891690 /nfs/dbraw/zinc/89/16/90/584891690.db2.gz LSELCXPSVBLTGF-RWSFTLGLSA-N 2 1 295.383 -0.181 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000903490628 584891737 /nfs/dbraw/zinc/89/17/37/584891737.db2.gz AONVLEARFHKLQA-CZXHOFHRSA-N 3 1 267.373 -0.192 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ncnn1C)C2 ZINC000903493200 584891856 /nfs/dbraw/zinc/89/18/56/584891856.db2.gz OYKSTZBVLALOKL-CWSCBRNRSA-N 2 1 279.344 -0.473 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ncnn1C)C2 ZINC000903493200 584891857 /nfs/dbraw/zinc/89/18/57/584891857.db2.gz OYKSTZBVLALOKL-CWSCBRNRSA-N 2 1 279.344 -0.473 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H]1CNCCO1)C2 ZINC000903495108 584891919 /nfs/dbraw/zinc/89/19/19/584891919.db2.gz VOMCOCBNICOQOM-SFTQSGBHSA-N 2 1 283.372 -0.813 20 0 CBADMP CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496464 584892034 /nfs/dbraw/zinc/89/20/34/584892034.db2.gz ORBAYHDODSUJPH-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000903550490 584892890 /nfs/dbraw/zinc/89/28/90/584892890.db2.gz GZFLFUNPNCTWDM-JTQLQIEISA-N 2 1 275.418 -0.002 20 0 CBADMP CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562807 584893343 /nfs/dbraw/zinc/89/33/43/584893343.db2.gz VBWYTYDTMWVSTE-TXEJJXNPSA-N 2 1 273.402 -0.153 20 0 CBADMP CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562807 584893344 /nfs/dbraw/zinc/89/33/44/584893344.db2.gz VBWYTYDTMWVSTE-TXEJJXNPSA-N 2 1 273.402 -0.153 20 0 CBADMP COCCCNC(=O)C[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718131 584895546 /nfs/dbraw/zinc/89/55/46/584895546.db2.gz HFPQVJPQAYLVQC-UKRRQHHQSA-N 2 1 299.415 -0.161 20 0 CBADMP COCCCNC(=O)C[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718131 584895548 /nfs/dbraw/zinc/89/55/48/584895548.db2.gz HFPQVJPQAYLVQC-UKRRQHHQSA-N 2 1 299.415 -0.161 20 0 CBADMP CN(C)C(=O)C[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718341 584895572 /nfs/dbraw/zinc/89/55/72/584895572.db2.gz KYRBWVUVKFEAAP-AAEUAGOBSA-N 2 1 255.362 -0.225 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718341 584895574 /nfs/dbraw/zinc/89/55/74/584895574.db2.gz KYRBWVUVKFEAAP-AAEUAGOBSA-N 2 1 255.362 -0.225 20 0 CBADMP CC(=O)N1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903716670 584895604 /nfs/dbraw/zinc/89/56/04/584895604.db2.gz BNJSFUAOQDFMOP-UONOGXRCSA-N 2 1 267.373 -0.081 20 0 CBADMP COCCCNC(=O)C[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718129 584895627 /nfs/dbraw/zinc/89/56/27/584895627.db2.gz HFPQVJPQAYLVQC-DZGCQCFKSA-N 2 1 299.415 -0.161 20 0 CBADMP COCCCNC(=O)C[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718129 584895629 /nfs/dbraw/zinc/89/56/29/584895629.db2.gz HFPQVJPQAYLVQC-DZGCQCFKSA-N 2 1 299.415 -0.161 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722322 584895835 /nfs/dbraw/zinc/89/58/35/584895835.db2.gz KOZOOFVPZUHTKV-SGMGOOAPSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C1NC[C@@H]2C[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCN12 ZINC000903733304 584896443 /nfs/dbraw/zinc/89/64/43/584896443.db2.gz JTNYEVFWMVHQKB-OLZOCXBDSA-N 2 1 294.399 -0.146 20 0 CBADMP O=C1NC[C@@H]2C[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCN12 ZINC000903733304 584896444 /nfs/dbraw/zinc/89/64/44/584896444.db2.gz JTNYEVFWMVHQKB-OLZOCXBDSA-N 2 1 294.399 -0.146 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000903750806 584897346 /nfs/dbraw/zinc/89/73/46/584897346.db2.gz UINGSERWLWPGKC-AGIUHOORSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000903750808 584897423 /nfs/dbraw/zinc/89/74/23/584897423.db2.gz UINGSERWLWPGKC-FRRDWIJNSA-N 2 1 296.415 -0.123 20 0 CBADMP CN(C)C(=O)NCC[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903756053 584897569 /nfs/dbraw/zinc/89/75/69/584897569.db2.gz ONZTXJRYPPOGSI-OCCSQVGLSA-N 2 1 284.404 -0.042 20 0 CBADMP O[C@@H]1C[C@H]2CN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC[N@H+]2C1 ZINC000903767515 584898031 /nfs/dbraw/zinc/89/80/31/584898031.db2.gz GQTWUGJCSYCXMU-ZNMIVQPWSA-N 2 1 295.427 -0.104 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903768042 584898049 /nfs/dbraw/zinc/89/80/49/584898049.db2.gz PWBUHZQDMXIZJI-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP CN1CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCC1=O ZINC000903765451 584898089 /nfs/dbraw/zinc/89/80/89/584898089.db2.gz HIPILMLHGNAKBE-TZMCWYRMSA-N 2 1 267.373 -0.081 20 0 CBADMP C[N@@H+](CCOCC[NH3+])C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903769919 584898387 /nfs/dbraw/zinc/89/83/87/584898387.db2.gz RLPIBRBRIZVEDV-CHWSQXEVSA-N 3 1 257.378 -0.338 20 0 CBADMP O=C1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCCN1 ZINC000903782284 584899446 /nfs/dbraw/zinc/89/94/46/584899446.db2.gz JAZMJLBNPGHANY-GFCCVEGCSA-N 2 1 267.373 -0.033 20 0 CBADMP O=C1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCCN1 ZINC000903782284 584899448 /nfs/dbraw/zinc/89/94/48/584899448.db2.gz JAZMJLBNPGHANY-GFCCVEGCSA-N 2 1 267.373 -0.033 20 0 CBADMP C[C@H]1C[N@@H+](CCN2CCCS2(=O)=O)CC[C@H]1C[NH3+] ZINC000903788161 584899673 /nfs/dbraw/zinc/89/96/73/584899673.db2.gz CZCPNLGTPUJFST-RYUDHWBXSA-N 2 1 275.418 -0.061 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C[C@H](C)[N@H+]1C ZINC000903792524 584900156 /nfs/dbraw/zinc/90/01/56/584900156.db2.gz MLSYTJHKGUNOJX-TUAOUCFPSA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C[C@H](C)[N@@H+]1C ZINC000903792524 584900158 /nfs/dbraw/zinc/90/01/58/584900158.db2.gz MLSYTJHKGUNOJX-TUAOUCFPSA-N 2 1 296.415 -0.267 20 0 CBADMP C[N@H+](CCC(=O)N1CCOCC1)C1(C[NH3+])CCOCC1 ZINC000903807593 584900406 /nfs/dbraw/zinc/90/04/06/584900406.db2.gz KDTSWVDJFHNQER-UHFFFAOYSA-N 2 1 285.388 -0.325 20 0 CBADMP C[N@@H+](CCC(=O)N1CCOCC1)C1(C[NH3+])CCOCC1 ZINC000903807593 584900408 /nfs/dbraw/zinc/90/04/08/584900408.db2.gz KDTSWVDJFHNQER-UHFFFAOYSA-N 2 1 285.388 -0.325 20 0 CBADMP CC[N@@H+](CCC(=O)NC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903825973 584900938 /nfs/dbraw/zinc/90/09/38/584900938.db2.gz GRFPKJGILASJNS-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000903827220 584901009 /nfs/dbraw/zinc/90/10/09/584901009.db2.gz QRFKQRHQNGWJMH-UHTWSYAYSA-N 2 1 255.362 -0.456 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H](O)[C@@H](F)C1)N1CC[NH2+]CC1 ZINC000903840962 584901695 /nfs/dbraw/zinc/90/16/95/584901695.db2.gz VDBXPBCLRKIYEP-WDEREUQCSA-N 2 1 259.325 -0.787 20 0 CBADMP O=C(CC[N@@H+]1CC[C@@H](O)[C@@H](F)C1)N1CC[NH2+]CC1 ZINC000903840962 584901696 /nfs/dbraw/zinc/90/16/96/584901696.db2.gz VDBXPBCLRKIYEP-WDEREUQCSA-N 2 1 259.325 -0.787 20 0 CBADMP OCC[NH+]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903874300 584902900 /nfs/dbraw/zinc/90/29/00/584902900.db2.gz XODPNFBSHBGGOF-CYBMUJFWSA-N 2 1 294.403 -0.688 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903872763 584902929 /nfs/dbraw/zinc/90/29/29/584902929.db2.gz BVZOZOIWAXHQQY-VXGBXAGGSA-N 2 1 292.387 -0.100 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903872763 584902930 /nfs/dbraw/zinc/90/29/30/584902930.db2.gz BVZOZOIWAXHQQY-VXGBXAGGSA-N 2 1 292.387 -0.100 20 0 CBADMP C[C@H]1C(=O)NCCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903875667 584903171 /nfs/dbraw/zinc/90/31/71/584903171.db2.gz SQSVCLNPOOCPGL-SCRDCRAPSA-N 2 1 267.373 -0.035 20 0 CBADMP COC[C@H]1C[NH2+]CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000903880694 584903682 /nfs/dbraw/zinc/90/36/82/584903682.db2.gz MDZDNKUTBSREGG-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP COC[C@@H]1C[NH2+]CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000903880695 584903723 /nfs/dbraw/zinc/90/37/23/584903723.db2.gz MDZDNKUTBSREGG-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP CC[C@H]1C(=O)NCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903883741 584903816 /nfs/dbraw/zinc/90/38/16/584903816.db2.gz YYWBRDKKNQGORC-RYUDHWBXSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C1NC(=O)N2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]12 ZINC000903902608 584904255 /nfs/dbraw/zinc/90/42/55/584904255.db2.gz KQULGBNLIYKTPJ-FGNRJIRKSA-N 2 1 278.356 -0.247 20 0 CBADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)CCOCCO)cnn1C ZINC000903911175 584904614 /nfs/dbraw/zinc/90/46/14/584904614.db2.gz YCVRSLYXBJXYFT-ZDUSSCGKSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@H](C[NH3+])C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903919654 584904797 /nfs/dbraw/zinc/90/47/97/584904797.db2.gz PEVVCYSQXJDFKV-MNOVXSKESA-N 3 1 252.366 -0.113 20 0 CBADMP C[C@]12C[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@@]1(C)C(=O)NC2=O ZINC000903935682 584904917 /nfs/dbraw/zinc/90/49/17/584904917.db2.gz SFYRZDCPRBVFAS-CQFDHEJISA-N 2 1 275.299 -0.047 20 0 CBADMP C[C@]12C[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@@]1(C)C(=O)NC2=O ZINC000903935682 584904919 /nfs/dbraw/zinc/90/49/19/584904919.db2.gz SFYRZDCPRBVFAS-CQFDHEJISA-N 2 1 275.299 -0.047 20 0 CBADMP CC(=O)NCC[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903932940 584904944 /nfs/dbraw/zinc/90/49/44/584904944.db2.gz XRYZMIKMIULGJU-ZDUSSCGKSA-N 2 1 281.404 -0.086 20 0 CBADMP CC1(C)C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H]1N ZINC000903986689 584905432 /nfs/dbraw/zinc/90/54/32/584905432.db2.gz PLTDWWGQWRBYOM-RYUDHWBXSA-N 2 1 268.405 -0.147 20 0 CBADMP CC1(C)C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H]1N ZINC000903986689 584905433 /nfs/dbraw/zinc/90/54/33/584905433.db2.gz PLTDWWGQWRBYOM-RYUDHWBXSA-N 2 1 268.405 -0.147 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@]13C[C@@H]1C[NH2+]C3)C2 ZINC000903977090 584905445 /nfs/dbraw/zinc/90/54/45/584905445.db2.gz ISVFPVIEMPKMLS-HPYVJYLESA-N 3 1 279.384 -0.192 20 0 CBADMP CC(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000972265296 614188940 /nfs/dbraw/zinc/18/89/40/614188940.db2.gz MAAYIBFHNXQXOZ-WCQYABFASA-N 2 1 284.404 -0.409 20 0 CBADMP CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000972265296 614188941 /nfs/dbraw/zinc/18/89/41/614188941.db2.gz MAAYIBFHNXQXOZ-WCQYABFASA-N 2 1 284.404 -0.409 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)CC(N)=O)C1 ZINC000971640371 614660626 /nfs/dbraw/zinc/66/06/26/614660626.db2.gz FHJZRKOAWNUVNQ-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000977497182 614664361 /nfs/dbraw/zinc/66/43/61/614664361.db2.gz KMLUZGQCWJNANV-GFCCVEGCSA-N 2 1 281.400 -0.099 20 0 CBADMP CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000968304633 614895757 /nfs/dbraw/zinc/89/57/57/614895757.db2.gz YTJRLRJBQVCIBX-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000968304633 614895760 /nfs/dbraw/zinc/89/57/60/614895760.db2.gz YTJRLRJBQVCIBX-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971266897 614910658 /nfs/dbraw/zinc/91/06/58/614910658.db2.gz KJMJUXZMNJFUQU-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971266897 614910659 /nfs/dbraw/zinc/91/06/59/614910659.db2.gz KJMJUXZMNJFUQU-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971266897 614910661 /nfs/dbraw/zinc/91/06/61/614910661.db2.gz KJMJUXZMNJFUQU-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971266897 614910663 /nfs/dbraw/zinc/91/06/63/614910663.db2.gz KJMJUXZMNJFUQU-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941344436 615087306 /nfs/dbraw/zinc/08/73/06/615087306.db2.gz INEDDSFCPZKLCT-AWEZNQCLSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969441293 615089346 /nfs/dbraw/zinc/08/93/46/615089346.db2.gz JMWLKEPTHGDIJI-PWSUYJOCSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969441293 615089348 /nfs/dbraw/zinc/08/93/48/615089348.db2.gz JMWLKEPTHGDIJI-PWSUYJOCSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC000979403035 615129615 /nfs/dbraw/zinc/12/96/15/615129615.db2.gz ACPXERJZZXNNGC-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCF)C2)C1 ZINC000970765203 615169544 /nfs/dbraw/zinc/16/95/44/615169544.db2.gz HHMKUEHKHBRCOS-VXGBXAGGSA-N 2 1 273.352 -0.133 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCF)C2)C1 ZINC000970765203 615169545 /nfs/dbraw/zinc/16/95/45/615169545.db2.gz HHMKUEHKHBRCOS-VXGBXAGGSA-N 2 1 273.352 -0.133 20 0 CBADMP CCN1CCO[C@H](C(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)C1 ZINC000977614516 615184486 /nfs/dbraw/zinc/18/44/86/615184486.db2.gz LKURXRMLKNJWDY-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[NH+](CCO)CC2(C)C)C1 ZINC000977614516 615184487 /nfs/dbraw/zinc/18/44/87/615184487.db2.gz LKURXRMLKNJWDY-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[N@H+](CCO)CC2(C)C)C1 ZINC000977614516 615184491 /nfs/dbraw/zinc/18/44/91/615184491.db2.gz LKURXRMLKNJWDY-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)C1 ZINC000977614516 615184493 /nfs/dbraw/zinc/18/44/93/615184493.db2.gz LKURXRMLKNJWDY-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOC)C[C@H]32)C1 ZINC000962659099 615184587 /nfs/dbraw/zinc/18/45/87/615184587.db2.gz ANKHSFIYLKQMOO-RFQIPJPRSA-N 2 1 297.399 -0.600 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOC)C[C@H]32)C1 ZINC000962659099 615184589 /nfs/dbraw/zinc/18/45/89/615184589.db2.gz ANKHSFIYLKQMOO-RFQIPJPRSA-N 2 1 297.399 -0.600 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCOC)C[C@H]32)C1 ZINC000962659099 615184591 /nfs/dbraw/zinc/18/45/91/615184591.db2.gz ANKHSFIYLKQMOO-RFQIPJPRSA-N 2 1 297.399 -0.600 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOC)C[C@H]32)C1 ZINC000962659099 615184593 /nfs/dbraw/zinc/18/45/93/615184593.db2.gz ANKHSFIYLKQMOO-RFQIPJPRSA-N 2 1 297.399 -0.600 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958593917 615366924 /nfs/dbraw/zinc/36/69/24/615366924.db2.gz CZLWPCQSINYIOL-NWDGAFQWSA-N 2 1 267.373 -0.489 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375260 615368212 /nfs/dbraw/zinc/36/82/12/615368212.db2.gz SIUFCUZUHQAGSQ-QWHCGFSZSA-N 2 1 269.389 -0.243 20 0 CBADMP CC[C@@H](C(=O)N1CCN(C2C[NH+](CCO)C2)CC1)[NH+](C)C ZINC000941570828 615371042 /nfs/dbraw/zinc/37/10/42/615371042.db2.gz CZVAWHOFBMCEHV-AWEZNQCLSA-N 2 1 298.431 -0.853 20 0 CBADMP CC[C@H](C(=O)N1CCC[N@@H+](CCO)CC1)[NH+](C)C ZINC000981439835 615600710 /nfs/dbraw/zinc/60/07/10/615600710.db2.gz KDJKVLPEOOYAFC-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1)C(N)=O ZINC000969356763 615822772 /nfs/dbraw/zinc/82/27/72/615822772.db2.gz NJVAXIKJWCMHJI-NEPJUHHUSA-N 2 1 293.371 -0.354 20 0 CBADMP C[NH+](CCO)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000971801272 616111042 /nfs/dbraw/zinc/11/10/42/616111042.db2.gz OVAOQSNXTDLKPQ-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@@H+]([C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)[C@@H]1CCNC1=O ZINC000980406594 616115035 /nfs/dbraw/zinc/11/50/35/616115035.db2.gz QSYJELHBEACQHG-CHWSQXEVSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@@H+]([C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)[C@H]1CCNC1=O ZINC000980406595 616117677 /nfs/dbraw/zinc/11/76/77/616117677.db2.gz QSYJELHBEACQHG-OLZOCXBDSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972233954 616166632 /nfs/dbraw/zinc/16/66/32/616166632.db2.gz DKXDROUGRIFGHL-LBPRGKRZSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972233954 616166633 /nfs/dbraw/zinc/16/66/33/616166633.db2.gz DKXDROUGRIFGHL-LBPRGKRZSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972235976 616166680 /nfs/dbraw/zinc/16/66/80/616166680.db2.gz UJGYUPDAEJPPLL-ZDUSSCGKSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972633653 616175014 /nfs/dbraw/zinc/17/50/14/616175014.db2.gz BCBKAOMYBAHJLN-CYBMUJFWSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969097400 616179573 /nfs/dbraw/zinc/17/95/73/616179573.db2.gz BSXFJCRUOXRNCZ-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](CCCO)CC1 ZINC000980839783 616191585 /nfs/dbraw/zinc/19/15/85/616191585.db2.gz NCLZRYCCWXBCJA-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](CCCO)CC1 ZINC000980839783 616191586 /nfs/dbraw/zinc/19/15/86/616191586.db2.gz NCLZRYCCWXBCJA-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](CCCO)CC1 ZINC000980839783 616191587 /nfs/dbraw/zinc/19/15/87/616191587.db2.gz NCLZRYCCWXBCJA-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000967924028 616192298 /nfs/dbraw/zinc/19/22/98/616192298.db2.gz FBOSQGLOJDKJGI-DGCLKSJQSA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC000967924028 616192299 /nfs/dbraw/zinc/19/22/99/616192299.db2.gz FBOSQGLOJDKJGI-DGCLKSJQSA-N 2 1 292.387 -0.400 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC000971715008 616195308 /nfs/dbraw/zinc/19/53/08/616195308.db2.gz CILPBKFVCWPDKD-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC000971715008 616195309 /nfs/dbraw/zinc/19/53/09/616195309.db2.gz CILPBKFVCWPDKD-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000971715008 616195310 /nfs/dbraw/zinc/19/53/10/616195310.db2.gz CILPBKFVCWPDKD-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000971715008 616195311 /nfs/dbraw/zinc/19/53/11/616195311.db2.gz CILPBKFVCWPDKD-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC([NH2+]CC(N)=O)CC1 ZINC000964377234 616263886 /nfs/dbraw/zinc/26/38/86/616263886.db2.gz DBBIQYWWZUFCFG-PNESKVBLSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CC(N)=O)C3)C1 ZINC000965912693 616265832 /nfs/dbraw/zinc/26/58/32/616265832.db2.gz QOMDWIFGLXPQQW-VQZBUAOQSA-N 2 1 294.399 -0.560 20 0 CBADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCC([NH2+]CC(N)=O)CC1 ZINC000964377233 616353212 /nfs/dbraw/zinc/35/32/12/616353212.db2.gz DBBIQYWWZUFCFG-HIFPTAJRSA-N 2 1 296.415 -0.217 20 0 CBADMP Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970712572 616362952 /nfs/dbraw/zinc/36/29/52/616362952.db2.gz QJERUYLZAHAPEQ-NWDGAFQWSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970712572 616362955 /nfs/dbraw/zinc/36/29/55/616362955.db2.gz QJERUYLZAHAPEQ-NWDGAFQWSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000970712587 616362996 /nfs/dbraw/zinc/36/29/96/616362996.db2.gz QPWSYAMPFXPZAC-NWDGAFQWSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000970712587 616362999 /nfs/dbraw/zinc/36/29/99/616362999.db2.gz QPWSYAMPFXPZAC-NWDGAFQWSA-N 2 1 292.387 -0.543 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000979078219 616373198 /nfs/dbraw/zinc/37/31/98/616373198.db2.gz DHOURQRCNYOCCJ-ZDEQEGDKSA-N 2 1 267.373 -0.776 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000979078219 616373201 /nfs/dbraw/zinc/37/32/01/616373201.db2.gz DHOURQRCNYOCCJ-ZDEQEGDKSA-N 2 1 267.373 -0.776 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000979078219 616373204 /nfs/dbraw/zinc/37/32/04/616373204.db2.gz DHOURQRCNYOCCJ-ZDEQEGDKSA-N 2 1 267.373 -0.776 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[NH+](CCO)CC2(C)C)C1 ZINC000977604304 616379668 /nfs/dbraw/zinc/37/96/68/616379668.db2.gz VSWIQHXXAMCDGO-RYUDHWBXSA-N 2 1 269.389 -0.243 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000970481226 616389484 /nfs/dbraw/zinc/38/94/84/616389484.db2.gz AILXINFTNUHZHE-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000960525742 616468778 /nfs/dbraw/zinc/46/87/78/616468778.db2.gz KWVIDLXWSBLJSO-RGDJUOJXSA-N 2 1 297.399 -0.602 20 0 CBADMP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960525742 616468781 /nfs/dbraw/zinc/46/87/81/616468781.db2.gz KWVIDLXWSBLJSO-RGDJUOJXSA-N 2 1 297.399 -0.602 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960525742 616468785 /nfs/dbraw/zinc/46/87/85/616468785.db2.gz KWVIDLXWSBLJSO-RGDJUOJXSA-N 2 1 297.399 -0.602 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960525742 616468787 /nfs/dbraw/zinc/46/87/87/616468787.db2.gz KWVIDLXWSBLJSO-RGDJUOJXSA-N 2 1 297.399 -0.602 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960525742 616468789 /nfs/dbraw/zinc/46/87/89/616468789.db2.gz KWVIDLXWSBLJSO-RGDJUOJXSA-N 2 1 297.399 -0.602 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977589280 616635801 /nfs/dbraw/zinc/63/58/01/616635801.db2.gz QAYIZTSLTKGBKM-RYUDHWBXSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977589280 616635803 /nfs/dbraw/zinc/63/58/03/616635803.db2.gz QAYIZTSLTKGBKM-RYUDHWBXSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977589280 616635806 /nfs/dbraw/zinc/63/58/06/616635806.db2.gz QAYIZTSLTKGBKM-RYUDHWBXSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977589280 616635809 /nfs/dbraw/zinc/63/58/09/616635809.db2.gz QAYIZTSLTKGBKM-RYUDHWBXSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC000961771775 616641667 /nfs/dbraw/zinc/64/16/67/616641667.db2.gz LUPMSQKRXJWXCG-FJJYHAOUSA-N 2 1 294.399 -0.737 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC000961771775 616641669 /nfs/dbraw/zinc/64/16/69/616641669.db2.gz LUPMSQKRXJWXCG-FJJYHAOUSA-N 2 1 294.399 -0.737 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000961771775 616641671 /nfs/dbraw/zinc/64/16/71/616641671.db2.gz LUPMSQKRXJWXCG-FJJYHAOUSA-N 2 1 294.399 -0.737 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC000961771775 616641676 /nfs/dbraw/zinc/64/16/76/616641676.db2.gz LUPMSQKRXJWXCG-FJJYHAOUSA-N 2 1 294.399 -0.737 20 0 CBADMP C[N@H+](CCOCC[NH3+])CC(C)(C)S(C)(=O)=O ZINC000713978959 656214676 /nfs/dbraw/zinc/21/46/76/656214676.db2.gz PKHPADJSPYFPNO-UHFFFAOYSA-N 2 1 252.380 -0.283 20 0 CBADMP C[N@@H+](CCOCC[NH3+])CC(C)(C)S(C)(=O)=O ZINC000713978959 656214681 /nfs/dbraw/zinc/21/46/81/656214681.db2.gz PKHPADJSPYFPNO-UHFFFAOYSA-N 2 1 252.380 -0.283 20 0 CBADMP O=S(=O)(N1CC[NH2+]CC1)N1CC[NH2+]CCC12CCC2 ZINC000923674445 658395320 /nfs/dbraw/zinc/39/53/20/658395320.db2.gz MYJOJSRLLRILCM-UHFFFAOYSA-N 2 1 288.417 -0.646 20 0 CBADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923384386 658245715 /nfs/dbraw/zinc/24/57/15/658245715.db2.gz GQXJPMUWZMOTBW-FTYOSLGDSA-N 2 1 295.305 -0.163 20 0 CBADMP COC[C@H](O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000923379236 658245791 /nfs/dbraw/zinc/24/57/91/658245791.db2.gz ZVPQNXOCKKHCJM-UPJWGTAASA-N 2 1 270.373 -0.306 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923378545 658246514 /nfs/dbraw/zinc/24/65/14/658246514.db2.gz FCNKTRAPRBTVOL-KBPBESRZSA-N 2 1 271.405 -0.247 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000923380678 658247046 /nfs/dbraw/zinc/24/70/46/658247046.db2.gz BJGSZQHXUPEFDV-JHJVBQTASA-N 2 1 259.394 -0.215 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)COC[C@H]2CCCO2)CCCO1 ZINC000923377798 658247884 /nfs/dbraw/zinc/24/78/84/658247884.db2.gz CBZUHAFDIOFYJR-BFHYXJOUSA-N 2 1 288.388 -0.408 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H](O)COC[C@H]2CCCO2)CCCO1 ZINC000923377798 658247889 /nfs/dbraw/zinc/24/78/89/658247889.db2.gz CBZUHAFDIOFYJR-BFHYXJOUSA-N 2 1 288.388 -0.408 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923456710 658286618 /nfs/dbraw/zinc/28/66/18/658286618.db2.gz FBMSMYCMGNUYTJ-MELADBBJSA-N 2 1 271.405 -0.391 20 0 CBADMP C[C@H](C(=O)NCC(F)(F)F)N1CC[NH2+]CC[NH2+]CC1 ZINC000923459391 658287089 /nfs/dbraw/zinc/28/70/89/658287089.db2.gz HTSPRQWVXIUAJW-SECBINFHSA-N 2 1 282.310 -0.452 20 0 CBADMP NS(=O)(=O)C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000923531090 658315599 /nfs/dbraw/zinc/31/55/99/658315599.db2.gz NTHFJFJRWKSOKQ-RYUDHWBXSA-N 2 1 275.418 -0.014 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923622876 658356933 /nfs/dbraw/zinc/35/69/33/658356933.db2.gz SUZIVCHUGRTHTM-NSHDSACASA-N 2 1 275.418 -0.048 20 0 CBADMP CC[NH+]1CCN(CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000928448373 659022901 /nfs/dbraw/zinc/02/29/01/659022901.db2.gz NVUJOAMOXMJZQW-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[N@@H+]2C)n1 ZINC000928551839 659035591 /nfs/dbraw/zinc/03/55/91/659035591.db2.gz FGDZMSJLXWRWRE-LLVKDONJSA-N 2 1 265.361 -0.121 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[N@H+]2C)n1 ZINC000928551839 659035600 /nfs/dbraw/zinc/03/56/00/659035600.db2.gz FGDZMSJLXWRWRE-LLVKDONJSA-N 2 1 265.361 -0.121 20 0 CBADMP C[C@@H](O)[C@@H](O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000930501426 659298047 /nfs/dbraw/zinc/29/80/47/659298047.db2.gz BJAPFOMASGCFIW-OLZOCXBDSA-N 2 1 261.410 -0.457 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440658 659461074 /nfs/dbraw/zinc/46/10/74/659461074.db2.gz ZWZOBYJYQVLROJ-NWDGAFQWSA-N 2 1 275.418 -0.191 20 0 CBADMP CNS(=O)(=O)CCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440658 659461093 /nfs/dbraw/zinc/46/10/93/659461093.db2.gz ZWZOBYJYQVLROJ-NWDGAFQWSA-N 2 1 275.418 -0.191 20 0 CBADMP CNS(=O)(=O)CCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440658 659461124 /nfs/dbraw/zinc/46/11/24/659461124.db2.gz ZWZOBYJYQVLROJ-NWDGAFQWSA-N 2 1 275.418 -0.191 20 0 CBADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000931486258 659470178 /nfs/dbraw/zinc/47/01/78/659470178.db2.gz AEDBBCHUULLSMH-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)(C)[NH2+]CCC(=O)N1CC[NH+](CCO)CC1 ZINC000037633210 656002843 /nfs/dbraw/zinc/00/28/43/656002843.db2.gz NDHNSWAXNKAJLK-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H](CNS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000044539447 656010653 /nfs/dbraw/zinc/01/06/53/656010653.db2.gz LJQNRMURISXMPR-NSHDSACASA-N 2 1 276.406 -0.932 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCCO1 ZINC000066244933 656036098 /nfs/dbraw/zinc/03/60/98/656036098.db2.gz BWDTZDGQPVURPY-LBPRGKRZSA-N 2 1 270.377 -0.208 20 0 CBADMP CN(C)C(=O)CN1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000121178463 656066641 /nfs/dbraw/zinc/06/66/41/656066641.db2.gz TUVCCZBCEZLJOK-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP COCCOCCOCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000126570232 656068164 /nfs/dbraw/zinc/06/81/64/656068164.db2.gz VPAWEAGXDWZUJB-BETUJISGSA-N 2 1 258.362 -0.183 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@@H]1C[NH3+] ZINC000167773888 656081443 /nfs/dbraw/zinc/08/14/43/656081443.db2.gz GRRGDZWRPRWWPP-RYUDHWBXSA-N 2 1 255.362 -0.238 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1C[NH3+] ZINC000167773888 656081444 /nfs/dbraw/zinc/08/14/44/656081444.db2.gz GRRGDZWRPRWWPP-RYUDHWBXSA-N 2 1 255.362 -0.238 20 0 CBADMP C[NH+](C)CC(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000234243182 656114165 /nfs/dbraw/zinc/11/41/65/656114165.db2.gz GNEMCGSKAQLULS-UHFFFAOYSA-N 2 1 264.329 -0.125 20 0 CBADMP CC(C)(C[NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252545948 656123324 /nfs/dbraw/zinc/12/33/24/656123324.db2.gz JYSICTHSVXUPOG-QWRGUYRKSA-N 2 1 255.362 -0.049 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539407 656123447 /nfs/dbraw/zinc/12/34/47/656123447.db2.gz BNXRJKWPXBCNNV-QJPTWQEYSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@H]1C[NH3+] ZINC000253206817 656123924 /nfs/dbraw/zinc/12/39/24/656123924.db2.gz GRRGDZWRPRWWPP-NWDGAFQWSA-N 2 1 255.362 -0.238 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C[NH3+] ZINC000253206817 656123927 /nfs/dbraw/zinc/12/39/27/656123927.db2.gz GRRGDZWRPRWWPP-NWDGAFQWSA-N 2 1 255.362 -0.238 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000306081371 656142029 /nfs/dbraw/zinc/14/20/29/656142029.db2.gz IIFONGNEVZBLHM-OLZOCXBDSA-N 2 1 258.362 -0.304 20 0 CBADMP COCCOC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000306081373 656142103 /nfs/dbraw/zinc/14/21/03/656142103.db2.gz IIFONGNEVZBLHM-STQMWFEESA-N 2 1 258.362 -0.304 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000311017290 656145144 /nfs/dbraw/zinc/14/51/44/656145144.db2.gz YIHNKVVFPRTZRV-SECBINFHSA-N 2 1 269.374 -0.175 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000311017290 656145147 /nfs/dbraw/zinc/14/51/47/656145147.db2.gz YIHNKVVFPRTZRV-SECBINFHSA-N 2 1 269.374 -0.175 20 0 CBADMP NC(=O)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000310975304 656145170 /nfs/dbraw/zinc/14/51/70/656145170.db2.gz SCLMDYLHRNYTQQ-GFCCVEGCSA-N 2 1 255.362 -0.360 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000311586923 656145761 /nfs/dbraw/zinc/14/57/61/656145761.db2.gz YYGFMHDEBHOFGD-BFHYXJOUSA-N 2 1 272.389 -0.106 20 0 CBADMP COCCOC[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000311586923 656145762 /nfs/dbraw/zinc/14/57/62/656145762.db2.gz YYGFMHDEBHOFGD-BFHYXJOUSA-N 2 1 272.389 -0.106 20 0 CBADMP COCCOC[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000311586923 656145764 /nfs/dbraw/zinc/14/57/64/656145764.db2.gz YYGFMHDEBHOFGD-BFHYXJOUSA-N 2 1 272.389 -0.106 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000311752068 656146287 /nfs/dbraw/zinc/14/62/87/656146287.db2.gz VBYIZVACTFDCOD-MCIONIFRSA-N 2 1 273.421 -0.015 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000311752068 656146290 /nfs/dbraw/zinc/14/62/90/656146290.db2.gz VBYIZVACTFDCOD-MCIONIFRSA-N 2 1 273.421 -0.015 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000311752068 656146294 /nfs/dbraw/zinc/14/62/94/656146294.db2.gz VBYIZVACTFDCOD-MCIONIFRSA-N 2 1 273.421 -0.015 20 0 CBADMP C[N@@H+](C[C@H](O)CNC[C@H]1C[NH+]2CCC[C@H]2CO1)C1CC1 ZINC000312321604 656146770 /nfs/dbraw/zinc/14/67/70/656146770.db2.gz GKBHVJZZSIUBBK-ZNMIVQPWSA-N 2 1 283.416 -0.106 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000312321604 656146773 /nfs/dbraw/zinc/14/67/73/656146773.db2.gz GKBHVJZZSIUBBK-ZNMIVQPWSA-N 2 1 283.416 -0.106 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000312321604 656146776 /nfs/dbraw/zinc/14/67/76/656146776.db2.gz GKBHVJZZSIUBBK-ZNMIVQPWSA-N 2 1 283.416 -0.106 20 0 CBADMP C[N@@H+](C[C@H](O)CNC[C@H]1C[NH+]2CCC[C@@H]2CO1)C1CC1 ZINC000312321600 656146882 /nfs/dbraw/zinc/14/68/82/656146882.db2.gz GKBHVJZZSIUBBK-KFWWJZLASA-N 2 1 283.416 -0.106 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000312321600 656146883 /nfs/dbraw/zinc/14/68/83/656146883.db2.gz GKBHVJZZSIUBBK-KFWWJZLASA-N 2 1 283.416 -0.106 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000312321600 656146884 /nfs/dbraw/zinc/14/68/84/656146884.db2.gz GKBHVJZZSIUBBK-KFWWJZLASA-N 2 1 283.416 -0.106 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702335938 656180109 /nfs/dbraw/zinc/18/01/09/656180109.db2.gz BQGCKGWLLNNLJX-SOUVJXGZSA-N 2 1 285.432 -0.191 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702335938 656180111 /nfs/dbraw/zinc/18/01/11/656180111.db2.gz BQGCKGWLLNNLJX-SOUVJXGZSA-N 2 1 285.432 -0.191 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702335938 656180112 /nfs/dbraw/zinc/18/01/12/656180112.db2.gz BQGCKGWLLNNLJX-SOUVJXGZSA-N 2 1 285.432 -0.191 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000702348545 656180118 /nfs/dbraw/zinc/18/01/18/656180118.db2.gz CPJWSAGXHARJIQ-MNOVXSKESA-N 2 1 256.394 -0.136 20 0 CBADMP CS(=O)(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000703166981 656182923 /nfs/dbraw/zinc/18/29/23/656182923.db2.gz KACSOCHRFDVCFB-NEPJUHHUSA-N 2 1 275.418 0.000 20 0 CBADMP CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000703166981 656182926 /nfs/dbraw/zinc/18/29/26/656182926.db2.gz KACSOCHRFDVCFB-NEPJUHHUSA-N 2 1 275.418 0.000 20 0 CBADMP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000703612599 656183448 /nfs/dbraw/zinc/18/34/48/656183448.db2.gz VXHVRVIMJTWQQZ-WRWGMCAJSA-N 2 1 253.346 -0.297 20 0 CBADMP C[C@]1(CO)C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@]1(C)CO ZINC000704410405 656184430 /nfs/dbraw/zinc/18/44/30/656184430.db2.gz BFHIWNATFRCZOM-KFWWJZLASA-N 2 1 286.416 -0.244 20 0 CBADMP C[C@]1(CO)C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@]1(C)CO ZINC000704410405 656184431 /nfs/dbraw/zinc/18/44/31/656184431.db2.gz BFHIWNATFRCZOM-KFWWJZLASA-N 2 1 286.416 -0.244 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H](N)C[NH+](C)C ZINC000705179165 656185040 /nfs/dbraw/zinc/18/50/40/656185040.db2.gz SXSCPSPPMFXVGX-NEPJUHHUSA-N 2 1 256.394 -0.325 20 0 CBADMP CCO[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)[C@H]1OC ZINC000705673506 656187250 /nfs/dbraw/zinc/18/72/50/656187250.db2.gz QLVZKHOJJZZIOS-UMSGYPCISA-N 2 1 258.362 -0.165 20 0 CBADMP CCO[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)[C@H]1OC ZINC000705673506 656187255 /nfs/dbraw/zinc/18/72/55/656187255.db2.gz QLVZKHOJJZZIOS-UMSGYPCISA-N 2 1 258.362 -0.165 20 0 CBADMP C[NH+](C)CC1(O)CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000710572024 656198616 /nfs/dbraw/zinc/19/86/16/656198616.db2.gz YJFXWEMKVCQQDO-CQSZACIVSA-N 2 1 285.432 -0.170 20 0 CBADMP CN(C[C@@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1)C1CC1 ZINC000710572024 656198619 /nfs/dbraw/zinc/19/86/19/656198619.db2.gz YJFXWEMKVCQQDO-CQSZACIVSA-N 2 1 285.432 -0.170 20 0 CBADMP COC[C@]1(C(=O)NCCn2cc[nH+]c2C)C[NH2+]CCO1 ZINC000710724182 656200109 /nfs/dbraw/zinc/20/01/09/656200109.db2.gz HZGGJPXPNNNVMX-ZDUSSCGKSA-N 2 1 282.344 -0.687 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710784761 656201777 /nfs/dbraw/zinc/20/17/77/656201777.db2.gz TUFAFQNKBOBBGS-TZMCWYRMSA-N 2 1 285.388 -0.408 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711396129 656208352 /nfs/dbraw/zinc/20/83/52/656208352.db2.gz RXBODCQEJFINND-LLVKDONJSA-N 2 1 257.378 -0.074 20 0 CBADMP C[N@H+]1CCN(C(=O)CN2CC[NH2+]CC2)CCC1(C)C ZINC000712683999 656211572 /nfs/dbraw/zinc/21/15/72/656211572.db2.gz IYGLFRGKSFXVEO-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715032532 656218131 /nfs/dbraw/zinc/21/81/31/656218131.db2.gz DJVINRWSYPGKAR-QLFBSQMISA-N 2 1 285.432 -0.001 20 0 CBADMP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1(F)F ZINC000715094852 656218742 /nfs/dbraw/zinc/21/87/42/656218742.db2.gz PFLNIGNLIJXKGM-UKKRHICBSA-N 2 1 289.326 -0.194 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000884640337 656253688 /nfs/dbraw/zinc/25/36/88/656253688.db2.gz BHWRDCRPRRDDRE-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884720373 656254505 /nfs/dbraw/zinc/25/45/05/656254505.db2.gz MBBQMVCAOHHDGU-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884720373 656254508 /nfs/dbraw/zinc/25/45/08/656254508.db2.gz MBBQMVCAOHHDGU-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884720372 656254694 /nfs/dbraw/zinc/25/46/94/656254694.db2.gz MBBQMVCAOHHDGU-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884720372 656254696 /nfs/dbraw/zinc/25/46/96/656254696.db2.gz MBBQMVCAOHHDGU-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(CC)[C@H]2CC[NH2+]C2)C1 ZINC000884787052 656255299 /nfs/dbraw/zinc/25/52/99/656255299.db2.gz FJDHHAAOQPWVPU-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C[NH2+]1 ZINC000884817119 656255978 /nfs/dbraw/zinc/25/59/78/656255978.db2.gz JSJNBYNNFSPWFL-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C[NH2+]1 ZINC000884817119 656255979 /nfs/dbraw/zinc/25/59/79/656255979.db2.gz JSJNBYNNFSPWFL-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884797755 656255986 /nfs/dbraw/zinc/25/59/86/656255986.db2.gz XAEHUHAMVBTOOI-SDDRHHMPSA-N 2 1 282.388 -0.737 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000890066197 656269892 /nfs/dbraw/zinc/26/98/92/656269892.db2.gz QFZXSDFJIOATAI-YPMHNXCESA-N 2 1 272.393 -0.308 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000897764839 656294770 /nfs/dbraw/zinc/29/47/70/656294770.db2.gz PXTKDCGEILYRSD-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](C(N)=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506614 656322030 /nfs/dbraw/zinc/32/20/30/656322030.db2.gz CBKVIUNJQCOAEM-WCFLWFBJSA-N 2 1 266.389 -0.239 20 0 CBADMP CNC(=O)[C@@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903755246 656322384 /nfs/dbraw/zinc/32/23/84/656322384.db2.gz DEASRNISLMJFIX-STQMWFEESA-N 2 1 297.399 -0.408 20 0 CBADMP CNC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903755246 656322389 /nfs/dbraw/zinc/32/23/89/656322389.db2.gz DEASRNISLMJFIX-STQMWFEESA-N 2 1 297.399 -0.408 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000903754975 656322505 /nfs/dbraw/zinc/32/25/05/656322505.db2.gz WQONUQRYDBPDGK-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP COC(=O)C[N@H+](CCN1CCOCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320954 656324080 /nfs/dbraw/zinc/32/40/80/656324080.db2.gz ROIMOQZLNOWJNI-BETUJISGSA-N 2 1 285.388 -0.469 20 0 CBADMP COC(=O)C[N@@H+](CCN1CCOCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320954 656324085 /nfs/dbraw/zinc/32/40/85/656324085.db2.gz ROIMOQZLNOWJNI-BETUJISGSA-N 2 1 285.388 -0.469 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904302930 656324526 /nfs/dbraw/zinc/32/45/26/656324526.db2.gz ZYJSBMWDMVETMY-KXUCPTDWSA-N 2 1 255.318 -0.913 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904302930 656324527 /nfs/dbraw/zinc/32/45/27/656324527.db2.gz ZYJSBMWDMVETMY-KXUCPTDWSA-N 2 1 255.318 -0.913 20 0 CBADMP C[C@]1(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)CCC[NH2+]C1 ZINC000904367866 656325288 /nfs/dbraw/zinc/32/52/88/656325288.db2.gz FMWRTAJAVSNXQS-OBJOEFQTSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@]1(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)CCC[NH2+]C1 ZINC000904367866 656325291 /nfs/dbraw/zinc/32/52/91/656325291.db2.gz FMWRTAJAVSNXQS-OBJOEFQTSA-N 2 1 267.373 -0.035 20 0 CBADMP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@H]2CNOC2)cnn1C ZINC000904423612 656326482 /nfs/dbraw/zinc/32/64/82/656326482.db2.gz DXJCARLMXXDXSO-JQWIXIFHSA-N 2 1 253.350 -0.661 20 0 CBADMP C[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@H]1C[NH3+] ZINC000904410969 656326922 /nfs/dbraw/zinc/32/69/22/656326922.db2.gz ICHZMQGPEFZYDV-QWRGUYRKSA-N 2 1 280.372 -0.499 20 0 CBADMP C[C@]1(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904428427 656326959 /nfs/dbraw/zinc/32/69/59/656326959.db2.gz KHOSHKMZCQKZEO-RYUDHWBXSA-N 2 1 275.418 -0.014 20 0 CBADMP C[NH+]1CCN(c2ncc(C[NH2+]CCCON)cn2)CC1 ZINC000904455731 656327703 /nfs/dbraw/zinc/32/77/03/656327703.db2.gz AOUXSBVFUDLHQS-UHFFFAOYSA-N 2 1 280.376 -0.402 20 0 CBADMP CC[N@@H+](CCC(=O)NC)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904470640 656328669 /nfs/dbraw/zinc/32/86/69/656328669.db2.gz ZYKUTFKFTDBQSH-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000904959590 656330694 /nfs/dbraw/zinc/33/06/94/656330694.db2.gz RQRXNJSOUPHZKA-JUFZMCDQSA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC[NH2+]1 ZINC000904962422 656331316 /nfs/dbraw/zinc/33/13/16/656331316.db2.gz COBKLJWRQDHVCB-SLEUVZQESA-N 2 1 294.399 -0.783 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NCCC[NH+](C)C)C1 ZINC000905051201 656335567 /nfs/dbraw/zinc/33/55/67/656335567.db2.gz VDPPCAUOOMKZEZ-UHFFFAOYSA-N 2 1 256.394 -0.452 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)C2(O)CCCC2)CC1 ZINC000905113185 656339948 /nfs/dbraw/zinc/33/99/48/656339948.db2.gz ZKILBNYETLHSEB-CYBMUJFWSA-N 2 1 299.415 -0.594 20 0 CBADMP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000905342464 656350540 /nfs/dbraw/zinc/35/05/40/656350540.db2.gz AHWPSFHQGTZRTM-JTQLQIEISA-N 2 1 297.371 -0.097 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000905355056 656352344 /nfs/dbraw/zinc/35/23/44/656352344.db2.gz RJEUECDWNVTWIL-MELADBBJSA-N 2 1 268.357 -0.359 20 0 CBADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000905465534 656358677 /nfs/dbraw/zinc/35/86/77/656358677.db2.gz MFIUUFZDHWZWPU-YHUYYLMFSA-N 2 1 294.395 -0.047 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000905465534 656358681 /nfs/dbraw/zinc/35/86/81/656358681.db2.gz MFIUUFZDHWZWPU-YHUYYLMFSA-N 2 1 294.395 -0.047 20 0 CBADMP CCO[C@H](C[NH2+]CCC(=O)N(C)OC)C[NH+](C)C ZINC000905578596 656362716 /nfs/dbraw/zinc/36/27/16/656362716.db2.gz FGGIFTKJUWWBSM-LLVKDONJSA-N 2 1 261.366 -0.047 20 0 CBADMP Cn1nnnc1CCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000905684598 656365432 /nfs/dbraw/zinc/36/54/32/656365432.db2.gz ZGCRIWLYICIWCL-LLVKDONJSA-N 2 1 268.365 -0.813 20 0 CBADMP Cn1nnnc1CCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000905684598 656365435 /nfs/dbraw/zinc/36/54/35/656365435.db2.gz ZGCRIWLYICIWCL-LLVKDONJSA-N 2 1 268.365 -0.813 20 0 CBADMP O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]CCO)CC1 ZINC000996619632 656447298 /nfs/dbraw/zinc/44/72/98/656447298.db2.gz JCUPSFNNIBPOKO-ZIAGYGMSSA-N 2 1 297.399 -0.578 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996647860 656448352 /nfs/dbraw/zinc/44/83/52/656448352.db2.gz QKBUVFIQFRVKLA-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996647860 656448353 /nfs/dbraw/zinc/44/83/53/656448353.db2.gz QKBUVFIQFRVKLA-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997012802 656463178 /nfs/dbraw/zinc/46/31/78/656463178.db2.gz YJSLSBPKFGUCLA-JQWIXIFHSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](CCO)CC1 ZINC000996991118 656463233 /nfs/dbraw/zinc/46/32/33/656463233.db2.gz IYYNEMNPABZKNO-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCO)CC1 ZINC000996991118 656463236 /nfs/dbraw/zinc/46/32/36/656463236.db2.gz IYYNEMNPABZKNO-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997012785 656463901 /nfs/dbraw/zinc/46/39/01/656463901.db2.gz YJSLSBPKFGUCLA-CMPLNLGQSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@H]([NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC000997179915 656469196 /nfs/dbraw/zinc/46/91/96/656469196.db2.gz MBSOYBTWWYTDQO-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]([NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC000997179912 656469378 /nfs/dbraw/zinc/46/93/78/656469378.db2.gz MBSOYBTWWYTDQO-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997299518 656471809 /nfs/dbraw/zinc/47/18/09/656471809.db2.gz OTVWKGGLTYDZEQ-RYUDHWBXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC000997297382 656471865 /nfs/dbraw/zinc/47/18/65/656471865.db2.gz FRGDVZUDEUSHOZ-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]C[C@@H](C)O)CC2)C1 ZINC000997337906 656473411 /nfs/dbraw/zinc/47/34/11/656473411.db2.gz WWMCPXVXEBLETB-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]C[C@@H](C)O)CC2)C1 ZINC000997337906 656473414 /nfs/dbraw/zinc/47/34/14/656473414.db2.gz WWMCPXVXEBLETB-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]C[C@H](C)O)CC2)C1 ZINC000997337898 656473426 /nfs/dbraw/zinc/47/34/26/656473426.db2.gz WWMCPXVXEBLETB-JSGCOSHPSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]C[C@H](C)O)CC2)C1 ZINC000997337898 656473428 /nfs/dbraw/zinc/47/34/28/656473428.db2.gz WWMCPXVXEBLETB-JSGCOSHPSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)c1ccnn1CC[NH+](C)C ZINC000907440218 656505731 /nfs/dbraw/zinc/50/57/31/656505731.db2.gz DMWCTNFZCIIWRD-UHFFFAOYSA-N 2 1 297.403 -0.511 20 0 CBADMP C[C@H]1CN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC[N@@H+]1CCO ZINC000907542274 656523138 /nfs/dbraw/zinc/52/31/38/656523138.db2.gz BLVWLGXJLWULJN-DZGCQCFKSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@H]1CN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC[N@H+]1CCO ZINC000907542274 656523140 /nfs/dbraw/zinc/52/31/40/656523140.db2.gz BLVWLGXJLWULJN-DZGCQCFKSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@H]1CN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC[NH+]1CCO ZINC000907542274 656523142 /nfs/dbraw/zinc/52/31/42/656523142.db2.gz BLVWLGXJLWULJN-DZGCQCFKSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@H]1CN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC[NH+]1CCO ZINC000907542274 656523143 /nfs/dbraw/zinc/52/31/43/656523143.db2.gz BLVWLGXJLWULJN-DZGCQCFKSA-N 2 1 299.415 -0.642 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]CC(N)=O)C1 ZINC000998550679 656546316 /nfs/dbraw/zinc/54/63/16/656546316.db2.gz OJEGEANOZGXDLC-VQXHTEKXSA-N 2 1 268.361 -0.855 20 0 CBADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000907780440 656572839 /nfs/dbraw/zinc/57/28/39/656572839.db2.gz FBBLMYUKFVSGLG-VHDGCEQUSA-N 2 1 299.415 -0.643 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000998764732 656580928 /nfs/dbraw/zinc/58/09/28/656580928.db2.gz UJXBLHVEPWYKKX-WXRRBKDZSA-N 2 1 296.415 -0.077 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000907805512 656581493 /nfs/dbraw/zinc/58/14/93/656581493.db2.gz SDYDBWALBHZWSZ-KZVDOYCCSA-N 2 1 267.373 -0.539 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)C[C@H]2C1 ZINC000907805512 656581502 /nfs/dbraw/zinc/58/15/02/656581502.db2.gz SDYDBWALBHZWSZ-KZVDOYCCSA-N 2 1 267.373 -0.539 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)C[C@H]2C1 ZINC000907805512 656581511 /nfs/dbraw/zinc/58/15/11/656581511.db2.gz SDYDBWALBHZWSZ-KZVDOYCCSA-N 2 1 267.373 -0.539 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)C[C@H]2C1 ZINC000907804796 656581580 /nfs/dbraw/zinc/58/15/80/656581580.db2.gz JLWXYZTUYIZMKH-SCRDCRAPSA-N 2 1 279.384 -0.273 20 0 CBADMP CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998823599 656587669 /nfs/dbraw/zinc/58/76/69/656587669.db2.gz JEJIBZHGYSCNIF-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998823599 656587676 /nfs/dbraw/zinc/58/76/76/656587676.db2.gz JEJIBZHGYSCNIF-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998823598 656588972 /nfs/dbraw/zinc/58/89/72/656588972.db2.gz JEJIBZHGYSCNIF-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998823598 656588984 /nfs/dbraw/zinc/58/89/84/656588984.db2.gz JEJIBZHGYSCNIF-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999146466 656612511 /nfs/dbraw/zinc/61/25/11/656612511.db2.gz WJGGGTFIWSTEDC-OLZOCXBDSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC000999363342 656625109 /nfs/dbraw/zinc/62/51/09/656625109.db2.gz GONBEHBKPXPBNT-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000999404453 656628061 /nfs/dbraw/zinc/62/80/61/656628061.db2.gz WROLMDSUMVKQAB-VOMCLLRMSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]CCO)C2)C1 ZINC000999408415 656628730 /nfs/dbraw/zinc/62/87/30/656628730.db2.gz KLXJSBVJRFUFOC-HIFPTAJRSA-N 2 1 269.389 -0.101 20 0 CBADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]CC(N)=O)C1 ZINC000999690409 656644988 /nfs/dbraw/zinc/64/49/88/656644988.db2.gz XVYKRODUAVISRY-VOMCLLRMSA-N 2 1 282.388 -0.608 20 0 CBADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]CC(N)=O)C1 ZINC000999690406 656646593 /nfs/dbraw/zinc/64/65/93/656646593.db2.gz XVYKRODUAVISRY-UNXYVOJBSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000908119167 656650141 /nfs/dbraw/zinc/65/01/41/656650141.db2.gz PRTLUCXWILNHJO-NFAWXSAZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000908119167 656650150 /nfs/dbraw/zinc/65/01/50/656650150.db2.gz PRTLUCXWILNHJO-NFAWXSAZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000908119170 656650632 /nfs/dbraw/zinc/65/06/32/656650632.db2.gz PRTLUCXWILNHJO-UMVBOHGHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000908119170 656650637 /nfs/dbraw/zinc/65/06/37/656650637.db2.gz PRTLUCXWILNHJO-UMVBOHGHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCc2cncn2C1 ZINC000908134089 656652433 /nfs/dbraw/zinc/65/24/33/656652433.db2.gz MYSWJPWYRQEDLP-MPKXVKKWSA-N 2 1 278.356 -0.231 20 0 CBADMP CN1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCc2cncn2C1 ZINC000908134089 656652439 /nfs/dbraw/zinc/65/24/39/656652439.db2.gz MYSWJPWYRQEDLP-MPKXVKKWSA-N 2 1 278.356 -0.231 20 0 CBADMP CCN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)[C@@H](C)C1 ZINC000908136250 656653350 /nfs/dbraw/zinc/65/33/50/656653350.db2.gz BKDVZRCFDJORJH-SCRDCRAPSA-N 2 1 269.389 -0.006 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000908200585 656665646 /nfs/dbraw/zinc/66/56/46/656665646.db2.gz JSJDWLLVTVFQOS-UPJWGTAASA-N 2 1 269.389 -0.006 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908202714 656667530 /nfs/dbraw/zinc/66/75/30/656667530.db2.gz JWBKJUSLSYXJNL-LBPRGKRZSA-N 2 1 266.345 -0.236 20 0 CBADMP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000908205304 656670283 /nfs/dbraw/zinc/67/02/83/656670283.db2.gz NLMJLKQMVJKQAL-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000908204392 656670766 /nfs/dbraw/zinc/67/07/66/656670766.db2.gz VFABHNIWLMLRQX-QVHKTLOISA-N 2 1 297.399 -0.891 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908204392 656670774 /nfs/dbraw/zinc/67/07/74/656670774.db2.gz VFABHNIWLMLRQX-QVHKTLOISA-N 2 1 297.399 -0.891 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000908204392 656670785 /nfs/dbraw/zinc/67/07/85/656670785.db2.gz VFABHNIWLMLRQX-QVHKTLOISA-N 2 1 297.399 -0.891 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000192529 656701782 /nfs/dbraw/zinc/70/17/82/656701782.db2.gz MQTAMDZHEFJYFT-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)C[NH+](C)C ZINC000908345356 656707512 /nfs/dbraw/zinc/70/75/12/656707512.db2.gz DFHLJXXBIDUFTL-LBPRGKRZSA-N 2 1 270.421 -0.206 20 0 CBADMP C[N@H+]1C[C@@H]2CCN(C(=O)C[C@]3(O)CCC[NH+](C)C3)[C@@H]2C1 ZINC000908346424 656711279 /nfs/dbraw/zinc/71/12/79/656711279.db2.gz GYCMTEIAERWNLZ-GZBFAFLISA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1C[C@@H]2CCN(C(=O)C[C@]3(O)CCC[N@H+](C)C3)[C@@H]2C1 ZINC000908346424 656711287 /nfs/dbraw/zinc/71/12/87/656711287.db2.gz GYCMTEIAERWNLZ-GZBFAFLISA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1C[C@@H]2CCN(C(=O)C[C@]3(O)CCC[N@@H+](C)C3)[C@@H]2C1 ZINC000908346424 656711294 /nfs/dbraw/zinc/71/12/94/656711294.db2.gz GYCMTEIAERWNLZ-GZBFAFLISA-N 2 1 281.400 -0.004 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001000458761 656717906 /nfs/dbraw/zinc/71/79/06/656717906.db2.gz BMJMINXINOGKRF-ZDUSSCGKSA-N 2 1 285.388 -0.718 20 0 CBADMP C[C@H](O)C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000547563 656734825 /nfs/dbraw/zinc/73/48/25/656734825.db2.gz PIYROGBDYSJNTH-GXTWGEPZSA-N 2 1 297.399 -0.554 20 0 CBADMP C[C@H](O)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000547563 656734836 /nfs/dbraw/zinc/73/48/36/656734836.db2.gz PIYROGBDYSJNTH-GXTWGEPZSA-N 2 1 297.399 -0.554 20 0 CBADMP C[C@H](O)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001000547563 656734848 /nfs/dbraw/zinc/73/48/48/656734848.db2.gz PIYROGBDYSJNTH-GXTWGEPZSA-N 2 1 297.399 -0.554 20 0 CBADMP C[C@H](O)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001000547563 656734853 /nfs/dbraw/zinc/73/48/53/656734853.db2.gz PIYROGBDYSJNTH-GXTWGEPZSA-N 2 1 297.399 -0.554 20 0 CBADMP C[C@@H](O)C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000547852 656735996 /nfs/dbraw/zinc/73/59/96/656735996.db2.gz PIYROGBDYSJNTH-TZMCWYRMSA-N 2 1 297.399 -0.554 20 0 CBADMP C[C@@H](O)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000547852 656736004 /nfs/dbraw/zinc/73/60/04/656736004.db2.gz PIYROGBDYSJNTH-TZMCWYRMSA-N 2 1 297.399 -0.554 20 0 CBADMP C[C@@H](O)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001000547852 656736007 /nfs/dbraw/zinc/73/60/07/656736007.db2.gz PIYROGBDYSJNTH-TZMCWYRMSA-N 2 1 297.399 -0.554 20 0 CBADMP C[C@@H](O)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001000547852 656736013 /nfs/dbraw/zinc/73/60/13/656736013.db2.gz PIYROGBDYSJNTH-TZMCWYRMSA-N 2 1 297.399 -0.554 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000979781 656780230 /nfs/dbraw/zinc/78/02/30/656780230.db2.gz TVTZBUUWNOAAKV-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000979781 656780234 /nfs/dbraw/zinc/78/02/34/656780234.db2.gz TVTZBUUWNOAAKV-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001001831992 656822420 /nfs/dbraw/zinc/82/24/20/656822420.db2.gz BTUMFTNVJFWOTH-WCQYABFASA-N 2 1 296.415 -0.502 20 0 CBADMP CNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002119679 656827168 /nfs/dbraw/zinc/82/71/68/656827168.db2.gz CSBYFBHBYODKEJ-ZDUSSCGKSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001002476093 656835380 /nfs/dbraw/zinc/83/53/80/656835380.db2.gz PPARLLIWVNOIQO-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002536644 656836537 /nfs/dbraw/zinc/83/65/37/656836537.db2.gz UODATDPLNIKDTD-YPMHNXCESA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002536644 656836539 /nfs/dbraw/zinc/83/65/39/656836539.db2.gz UODATDPLNIKDTD-YPMHNXCESA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCCO)CC2)O1 ZINC001003140769 656849346 /nfs/dbraw/zinc/84/93/46/656849346.db2.gz VMLATOPPALDTOI-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCCO)CC2)O1 ZINC001003140769 656849349 /nfs/dbraw/zinc/84/93/49/656849349.db2.gz VMLATOPPALDTOI-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001003637238 656865612 /nfs/dbraw/zinc/86/56/12/656865612.db2.gz ZKIBDVZHLOELIO-ZYHUDNBSSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001003637238 656865617 /nfs/dbraw/zinc/86/56/17/656865617.db2.gz ZKIBDVZHLOELIO-ZYHUDNBSSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001003625635 656866072 /nfs/dbraw/zinc/86/60/72/656866072.db2.gz HXJHZIVQKYDZSK-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001003625635 656866073 /nfs/dbraw/zinc/86/60/73/656866073.db2.gz HXJHZIVQKYDZSK-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001003627820 656866195 /nfs/dbraw/zinc/86/61/95/656866195.db2.gz ITYVVWPYLCTRAM-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001003627820 656866199 /nfs/dbraw/zinc/86/61/99/656866199.db2.gz ITYVVWPYLCTRAM-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000910553571 656874242 /nfs/dbraw/zinc/87/42/42/656874242.db2.gz IBSRYJCHIUTASV-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000910553571 656874245 /nfs/dbraw/zinc/87/42/45/656874245.db2.gz IBSRYJCHIUTASV-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCCO)CC2)C1 ZINC001004180281 656882713 /nfs/dbraw/zinc/88/27/13/656882713.db2.gz YSRMBMWCTXWIDB-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCCO)CC2)C1 ZINC001004180281 656882717 /nfs/dbraw/zinc/88/27/17/656882717.db2.gz YSRMBMWCTXWIDB-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CCN1CC)[C@@H]1CC[N@@H+](C)C1 ZINC000910735899 656887038 /nfs/dbraw/zinc/88/70/38/656887038.db2.gz GWIHLOUZHGBJPL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1CC)[C@@H]1CC[N@H+](C)C1 ZINC000910735899 656887039 /nfs/dbraw/zinc/88/70/39/656887039.db2.gz GWIHLOUZHGBJPL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1CC)[C@@H]1CC[N@@H+](C)C1 ZINC000910735899 656887040 /nfs/dbraw/zinc/88/70/40/656887040.db2.gz GWIHLOUZHGBJPL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1CC)[C@@H]1CC[NH+](C)C1 ZINC000910735899 656887047 /nfs/dbraw/zinc/88/70/47/656887047.db2.gz GWIHLOUZHGBJPL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000910731185 656887781 /nfs/dbraw/zinc/88/77/81/656887781.db2.gz UTQHVIOMWRSOHI-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000910731185 656887783 /nfs/dbraw/zinc/88/77/83/656887783.db2.gz UTQHVIOMWRSOHI-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000910731185 656887785 /nfs/dbraw/zinc/88/77/85/656887785.db2.gz UTQHVIOMWRSOHI-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000910731185 656887787 /nfs/dbraw/zinc/88/77/87/656887787.db2.gz UTQHVIOMWRSOHI-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](O)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001005209067 656896035 /nfs/dbraw/zinc/89/60/35/656896035.db2.gz KCYDSIAWVJMTOO-JSGCOSHPSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@H](O)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001005209067 656896040 /nfs/dbraw/zinc/89/60/40/656896040.db2.gz KCYDSIAWVJMTOO-JSGCOSHPSA-N 2 1 299.415 -0.379 20 0 CBADMP COCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001005209580 656896331 /nfs/dbraw/zinc/89/63/31/656896331.db2.gz LXRTXMFJXQUJGJ-CQSZACIVSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001005209580 656896332 /nfs/dbraw/zinc/89/63/32/656896332.db2.gz LXRTXMFJXQUJGJ-CQSZACIVSA-N 2 1 299.415 -0.114 20 0 CBADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C[N@@H+]1CCO ZINC000910931123 656903590 /nfs/dbraw/zinc/90/35/90/656903590.db2.gz NQIZTEQMSCDRCF-OLZOCXBDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C[N@H+]1CCO ZINC000910931123 656903602 /nfs/dbraw/zinc/90/36/02/656903602.db2.gz NQIZTEQMSCDRCF-OLZOCXBDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000911009592 656928056 /nfs/dbraw/zinc/92/80/56/656928056.db2.gz SUIWTBMGUASAAQ-WISYIIOYSA-N 2 1 282.388 -0.691 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC[N@H+]1C ZINC000911007403 656928534 /nfs/dbraw/zinc/92/85/34/656928534.db2.gz JPWMHDPFOGYYNQ-GRYCIOLGSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC[N@H+]1C ZINC000911007409 656928559 /nfs/dbraw/zinc/92/85/59/656928559.db2.gz JPWMHDPFOGYYNQ-WOPDTQHZSA-N 2 1 296.415 -0.219 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)C1CC1 ZINC000911059397 656937966 /nfs/dbraw/zinc/93/79/66/656937966.db2.gz GRGHTSZKRXMVED-HNNXBMFYSA-N 2 1 294.399 -0.449 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+])C1CC1 ZINC000911061425 656938509 /nfs/dbraw/zinc/93/85/09/656938509.db2.gz REZZJYXUWMWFQF-NHYWBVRUSA-N 2 1 294.399 -0.463 20 0 CBADMP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000911073491 656940761 /nfs/dbraw/zinc/94/07/61/656940761.db2.gz SSZQFRYQJDZCSF-PWSUYJOCSA-N 2 1 294.399 -0.547 20 0 CBADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000911074090 656941003 /nfs/dbraw/zinc/94/10/03/656941003.db2.gz YYRWWPJJGJXJIJ-RYUDHWBXSA-N 2 1 294.399 -0.463 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911136587 656961930 /nfs/dbraw/zinc/96/19/30/656961930.db2.gz AMKHOFFXFZUIOY-NSHDSACASA-N 2 1 293.371 -0.497 20 0 CBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911146720 656963729 /nfs/dbraw/zinc/96/37/29/656963729.db2.gz MZKDOZOUTTZUQW-WFFHOREQSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911160356 656966715 /nfs/dbraw/zinc/96/67/15/656966715.db2.gz BVGBHFYBNDOFCV-JHJVBQTASA-N 2 1 296.415 -0.312 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911185676 656976083 /nfs/dbraw/zinc/97/60/83/656976083.db2.gz BLSVEEDBZFKYLT-FVCCEPFGSA-N 2 1 296.415 -0.158 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911187724 656976276 /nfs/dbraw/zinc/97/62/76/656976276.db2.gz PERNCIVRHZOMEX-RYUDHWBXSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911186394 656976360 /nfs/dbraw/zinc/97/63/60/656976360.db2.gz IWBQOZPQTWZMEG-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000911188262 656977318 /nfs/dbraw/zinc/97/73/18/656977318.db2.gz SPPWUWHFJQWSQE-CYZMBNFOSA-N 2 1 294.399 -0.404 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000911199135 656981797 /nfs/dbraw/zinc/98/17/97/656981797.db2.gz AGVIQZNYINAMED-OBJOEFQTSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000911199135 656981802 /nfs/dbraw/zinc/98/18/02/656981802.db2.gz AGVIQZNYINAMED-OBJOEFQTSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000911199135 656981809 /nfs/dbraw/zinc/98/18/09/656981809.db2.gz AGVIQZNYINAMED-OBJOEFQTSA-N 2 1 269.389 -0.006 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCO)C1 ZINC001006926874 656982392 /nfs/dbraw/zinc/98/23/92/656982392.db2.gz OAGIEVOGQVOWBK-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001006926874 656982401 /nfs/dbraw/zinc/98/24/01/656982401.db2.gz OAGIEVOGQVOWBK-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001006926874 656982413 /nfs/dbraw/zinc/98/24/13/656982413.db2.gz OAGIEVOGQVOWBK-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[N@@H+](C)C1CC1 ZINC000911205535 656984825 /nfs/dbraw/zinc/98/48/25/656984825.db2.gz NBSLYMCVIBCVEN-DCAQKATOSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[N@@H+](C)C1CC1 ZINC000911204819 656985672 /nfs/dbraw/zinc/98/56/72/656985672.db2.gz HUNOZZPKTBXKFQ-YRRQLQLVSA-N 2 1 294.399 -0.406 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000911215677 656986107 /nfs/dbraw/zinc/98/61/07/656986107.db2.gz RCQOBBBORPEXRO-RWMBFGLXSA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000911214440 656987430 /nfs/dbraw/zinc/98/74/30/656987430.db2.gz FBPPAIFQESVKAR-YVECIDJPSA-N 2 1 294.399 -0.547 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911212478 656987774 /nfs/dbraw/zinc/98/77/74/656987774.db2.gz ZPOBOMRKMYMDNK-LLVKDONJSA-N 2 1 282.388 -0.416 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000911215449 656988041 /nfs/dbraw/zinc/98/80/41/656988041.db2.gz QGDKIQOFWKWVSW-NEPJUHHUSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000911218857 656990159 /nfs/dbraw/zinc/99/01/59/656990159.db2.gz LTFYEDSWWQETJH-NQBHXWOUSA-N 2 1 294.399 -0.523 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000911224194 656991364 /nfs/dbraw/zinc/99/13/64/656991364.db2.gz VHHXEUOZLXDSHL-AVGNSLFASA-N 2 1 294.399 -0.560 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000911274747 657006582 /nfs/dbraw/zinc/00/65/82/657006582.db2.gz ROXNREYNFVHLNZ-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000911274747 657006588 /nfs/dbraw/zinc/00/65/88/657006588.db2.gz ROXNREYNFVHLNZ-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP O=C(N[C@@H]1CCC[N@H+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001007349258 657006624 /nfs/dbraw/zinc/00/66/24/657006624.db2.gz MFMVPHVINZRKPC-ZIAGYGMSSA-N 2 1 281.400 -0.099 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000911291498 657012577 /nfs/dbraw/zinc/01/25/77/657012577.db2.gz KYJABJUBEIKISZ-STQMWFEESA-N 2 1 298.431 -0.114 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000911291498 657012581 /nfs/dbraw/zinc/01/25/81/657012581.db2.gz KYJABJUBEIKISZ-STQMWFEESA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911296324 657013098 /nfs/dbraw/zinc/01/30/98/657013098.db2.gz LNTZKCNAEVZYRA-NSHDSACASA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911298424 657014501 /nfs/dbraw/zinc/01/45/01/657014501.db2.gz TXIMLQJGUZWVAM-UHIISALHSA-N 2 1 282.388 -0.750 20 0 CBADMP 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 657018570 /nfs/dbraw/zinc/01/85/70/657018570.db2.gz OBJRLRRCOUHFIJ-OZTPJHRESA-N 2 1 296.415 -0.362 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911338123 657022673 /nfs/dbraw/zinc/02/26/73/657022673.db2.gz YEJIBDFDMGGFTG-FRRDWIJNSA-N 2 1 296.415 -0.170 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000911337800 657022696 /nfs/dbraw/zinc/02/26/96/657022696.db2.gz WVLKSEJFWXIIFY-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000911336807 657022829 /nfs/dbraw/zinc/02/28/29/657022829.db2.gz NVQJXNYLAWCCCC-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000911337802 657022955 /nfs/dbraw/zinc/02/29/55/657022955.db2.gz WVLKSEJFWXIIFY-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000911367247 657027824 /nfs/dbraw/zinc/02/78/24/657027824.db2.gz MSXRWBGKBJUICT-XQHKEYJVSA-N 2 1 294.399 -0.737 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000911367248 657027939 /nfs/dbraw/zinc/02/79/39/657027939.db2.gz MSXRWBGKBJUICT-YVECIDJPSA-N 2 1 294.399 -0.737 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911370057 657028579 /nfs/dbraw/zinc/02/85/79/657028579.db2.gz MVZCHUKDJGVRKA-CHWSQXEVSA-N 2 1 296.415 -0.489 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000911370003 657029177 /nfs/dbraw/zinc/02/91/77/657029177.db2.gz KQIQQARRJADCDZ-YVECIDJPSA-N 2 1 296.415 -0.348 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000911370003 657029186 /nfs/dbraw/zinc/02/91/86/657029186.db2.gz KQIQQARRJADCDZ-YVECIDJPSA-N 2 1 296.415 -0.348 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911370117 657029969 /nfs/dbraw/zinc/02/99/69/657029969.db2.gz PENAEYIJPCKGGJ-FRRDWIJNSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C(=O)C(=O)NCC1([NH3+])CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000911501224 657056678 /nfs/dbraw/zinc/05/66/78/657056678.db2.gz AMGUZNCJFGYORP-LLVKDONJSA-N 2 1 280.372 -0.711 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911506092 657059279 /nfs/dbraw/zinc/05/92/79/657059279.db2.gz KONSYBZDMLLHKS-LLVKDONJSA-N 2 1 282.388 -0.558 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911506418 657060711 /nfs/dbraw/zinc/06/07/11/657060711.db2.gz NIHAMJAOWKJMCS-UHFFFAOYSA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001009197190 657068914 /nfs/dbraw/zinc/06/89/14/657068914.db2.gz BGMZYZFPLSDBEM-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001009197190 657068918 /nfs/dbraw/zinc/06/89/18/657068918.db2.gz BGMZYZFPLSDBEM-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001009197190 657068924 /nfs/dbraw/zinc/06/89/24/657068924.db2.gz BGMZYZFPLSDBEM-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911534075 657069537 /nfs/dbraw/zinc/06/95/37/657069537.db2.gz RQKGIRLSWWWUHA-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000911532421 657069860 /nfs/dbraw/zinc/06/98/60/657069860.db2.gz LIPHXFRYBIXDKY-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911531987 657070422 /nfs/dbraw/zinc/07/04/22/657070422.db2.gz IFUMAPWVMICVJQ-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001009535914 657077989 /nfs/dbraw/zinc/07/79/89/657077989.db2.gz HWDJOKLJRJCDAZ-GFCCVEGCSA-N 2 1 255.362 -0.345 20 0 CBADMP Cc1sc(C[NH3+])nc1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911774339 657126132 /nfs/dbraw/zinc/12/61/32/657126132.db2.gz JZVWLVRVQPVDOS-UHFFFAOYSA-N 2 1 297.428 -0.113 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000911829744 657141781 /nfs/dbraw/zinc/14/17/81/657141781.db2.gz UTFXTRYPVYIDKZ-XFMPKHEZSA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000911829744 657141799 /nfs/dbraw/zinc/14/17/99/657141799.db2.gz UTFXTRYPVYIDKZ-XFMPKHEZSA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000911829744 657141809 /nfs/dbraw/zinc/14/18/09/657141809.db2.gz UTFXTRYPVYIDKZ-XFMPKHEZSA-N 2 1 281.400 -0.148 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000911829738 657142217 /nfs/dbraw/zinc/14/22/17/657142217.db2.gz UTFXTRYPVYIDKZ-JLNYLFASSA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000911829738 657142222 /nfs/dbraw/zinc/14/22/22/657142222.db2.gz UTFXTRYPVYIDKZ-JLNYLFASSA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000911829738 657142228 /nfs/dbraw/zinc/14/22/28/657142228.db2.gz UTFXTRYPVYIDKZ-JLNYLFASSA-N 2 1 281.400 -0.148 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911879025 657153647 /nfs/dbraw/zinc/15/36/47/657153647.db2.gz KIEWCFSUFUFMJP-CHWSQXEVSA-N 2 1 268.405 -0.040 20 0 CBADMP O=C(N1CC([N@@H+]2CC[C@@H](O)C2)C1)C12CC[NH+](CC1)C2 ZINC000911903860 657163050 /nfs/dbraw/zinc/16/30/50/657163050.db2.gz FOCLXCVFLCGFDR-GFCCVEGCSA-N 2 1 265.357 -0.640 20 0 CBADMP O=C(N1CC([N@H+]2CC[C@@H](O)C2)C1)C12CC[NH+](CC1)C2 ZINC000911903860 657163056 /nfs/dbraw/zinc/16/30/56/657163056.db2.gz FOCLXCVFLCGFDR-GFCCVEGCSA-N 2 1 265.357 -0.640 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCO)C1 ZINC001010383338 657170283 /nfs/dbraw/zinc/17/02/83/657170283.db2.gz UUUVNYMQOCRMBZ-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001010383338 657170291 /nfs/dbraw/zinc/17/02/91/657170291.db2.gz UUUVNYMQOCRMBZ-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001010383338 657170297 /nfs/dbraw/zinc/17/02/97/657170297.db2.gz UUUVNYMQOCRMBZ-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N(CCO)C2CC[NH+](C)CC2)C1 ZINC000911939267 657171476 /nfs/dbraw/zinc/17/14/76/657171476.db2.gz TVHSRDWKFYJRKU-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010429291 657185765 /nfs/dbraw/zinc/18/57/65/657185765.db2.gz UFCVLSFHPVDOOY-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010429291 657185770 /nfs/dbraw/zinc/18/57/70/657185770.db2.gz UFCVLSFHPVDOOY-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010429291 657185774 /nfs/dbraw/zinc/18/57/74/657185774.db2.gz UFCVLSFHPVDOOY-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010429291 657185779 /nfs/dbraw/zinc/18/57/79/657185779.db2.gz UFCVLSFHPVDOOY-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000912053684 657187808 /nfs/dbraw/zinc/18/78/08/657187808.db2.gz CYJCADLGFDJISZ-GZBFAFLISA-N 2 1 297.399 -0.889 20 0 CBADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000912053684 657187812 /nfs/dbraw/zinc/18/78/12/657187812.db2.gz CYJCADLGFDJISZ-GZBFAFLISA-N 2 1 297.399 -0.889 20 0 CBADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000912053684 657187815 /nfs/dbraw/zinc/18/78/15/657187815.db2.gz CYJCADLGFDJISZ-GZBFAFLISA-N 2 1 297.399 -0.889 20 0 CBADMP C[C@H](CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)[NH+](C)C ZINC000912387241 657247632 /nfs/dbraw/zinc/24/76/32/657247632.db2.gz AUJAONHPLOXKEO-NTZNESFSSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)CCO)[NH+](C)C ZINC000912606676 657296194 /nfs/dbraw/zinc/29/61/94/657296194.db2.gz JXTCEAYWJSABIN-GFCCVEGCSA-N 2 1 259.394 -0.045 20 0 CBADMP CN(CC1C[NH+](C)C1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000912452835 657266201 /nfs/dbraw/zinc/26/62/01/657266201.db2.gz AZTKSSUHPPFRFU-WCQYABFASA-N 2 1 255.362 -0.539 20 0 CBADMP CN(CC1C[NH+](C)C1)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000912452833 657266922 /nfs/dbraw/zinc/26/69/22/657266922.db2.gz AZTKSSUHPPFRFU-AAEUAGOBSA-N 2 1 255.362 -0.539 20 0 CBADMP C[C@@H](C(=O)N(C)CC[N@H+](C)CCO)N1CC[NH+](C)CC1 ZINC000912607026 657296147 /nfs/dbraw/zinc/29/61/47/657296147.db2.gz OQAGTUFHPLHSRW-ZDUSSCGKSA-N 2 1 286.420 -0.995 20 0 CBADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)CCO)N1CC[NH+](C)CC1 ZINC000912607026 657296150 /nfs/dbraw/zinc/29/61/50/657296150.db2.gz OQAGTUFHPLHSRW-ZDUSSCGKSA-N 2 1 286.420 -0.995 20 0 CBADMP CC[NH+](CC(=O)N(C)CC[N@@H+](C)CCO)C1CC1 ZINC000912606505 657296374 /nfs/dbraw/zinc/29/63/74/657296374.db2.gz DZZSRCIUGFZQQE-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[N@@H+](CC(=O)N(C)CC[NH+](C)CCO)C1CC1 ZINC000912606505 657296366 /nfs/dbraw/zinc/29/63/66/657296366.db2.gz DZZSRCIUGFZQQE-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[NH+](CC(=O)N(C)CC[N@H+](C)CCO)C1CC1 ZINC000912606505 657296368 /nfs/dbraw/zinc/29/63/68/657296368.db2.gz DZZSRCIUGFZQQE-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+](C)C[C@H]2CO)C1 ZINC000912736837 657323076 /nfs/dbraw/zinc/32/30/76/657323076.db2.gz ZDBPMOREPWDLCU-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH+](C)C[C@H]2CO)C1 ZINC000912736837 657323083 /nfs/dbraw/zinc/32/30/83/657323083.db2.gz ZDBPMOREPWDLCU-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC[N@H+](C)C[C@H]2CO)C1 ZINC000912736837 657323091 /nfs/dbraw/zinc/32/30/91/657323091.db2.gz ZDBPMOREPWDLCU-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC[N@@H+](C)C[C@H]2CO)C1 ZINC000912736837 657323093 /nfs/dbraw/zinc/32/30/93/657323093.db2.gz ZDBPMOREPWDLCU-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC[NH2+]1 ZINC000912766053 657341057 /nfs/dbraw/zinc/34/10/57/657341057.db2.gz OVKQGWYMBJBTNN-MBNYWOFBSA-N 2 1 269.389 -0.102 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001014460751 657361042 /nfs/dbraw/zinc/36/10/42/657361042.db2.gz YUOPHQHFXIMYFM-CHWSQXEVSA-N 2 1 267.373 -0.489 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001014722342 657380185 /nfs/dbraw/zinc/38/01/85/657380185.db2.gz MFZWHKWKAOFHSG-NEPJUHHUSA-N 2 1 278.356 -0.057 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001014722342 657380192 /nfs/dbraw/zinc/38/01/92/657380192.db2.gz MFZWHKWKAOFHSG-NEPJUHHUSA-N 2 1 278.356 -0.057 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCO)C1)C12CCC[NH+]1CCC2 ZINC001015091029 657405908 /nfs/dbraw/zinc/40/59/08/657405908.db2.gz SWDQYKOUNDFQAQ-LBPRGKRZSA-N 2 1 267.373 -0.202 20 0 CBADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913189305 657416726 /nfs/dbraw/zinc/41/67/26/657416726.db2.gz UQSIKRRWVYWRIU-YRGRVCCFSA-N 2 1 285.388 -0.674 20 0 CBADMP O=C(CCCC[NH+]1CCCC1)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913189912 657417490 /nfs/dbraw/zinc/41/74/90/657417490.db2.gz GQSCIVIWWJCASC-OAHLLOKOSA-N 2 1 299.415 -0.280 20 0 CBADMP CN1C[C@@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000913334580 657441764 /nfs/dbraw/zinc/44/17/64/657441764.db2.gz NXOHCGYJHBWGDO-GMXVVIOVSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000913334580 657441771 /nfs/dbraw/zinc/44/17/71/657441771.db2.gz NXOHCGYJHBWGDO-GMXVVIOVSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000913334580 657441773 /nfs/dbraw/zinc/44/17/73/657441773.db2.gz NXOHCGYJHBWGDO-GMXVVIOVSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1CCC[C@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000913334580 657441785 /nfs/dbraw/zinc/44/17/85/657441785.db2.gz NXOHCGYJHBWGDO-GMXVVIOVSA-N 2 1 255.362 -0.348 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001015599577 657473506 /nfs/dbraw/zinc/47/35/06/657473506.db2.gz QZRZDKSTDMDIGA-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001015599577 657473515 /nfs/dbraw/zinc/47/35/15/657473515.db2.gz QZRZDKSTDMDIGA-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001015599577 657473523 /nfs/dbraw/zinc/47/35/23/657473523.db2.gz QZRZDKSTDMDIGA-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001015599577 657473530 /nfs/dbraw/zinc/47/35/30/657473530.db2.gz QZRZDKSTDMDIGA-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015654537 657505596 /nfs/dbraw/zinc/50/55/96/657505596.db2.gz YVQJSLWBCCWULP-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCO)C1)C2 ZINC001015707113 657525206 /nfs/dbraw/zinc/52/52/06/657525206.db2.gz ZXVMWDFZWGMRME-OLZOCXBDSA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCO)C1)C2 ZINC001015707113 657525217 /nfs/dbraw/zinc/52/52/17/657525217.db2.gz ZXVMWDFZWGMRME-OLZOCXBDSA-N 2 1 292.383 -0.063 20 0 CBADMP C[NH+]1CCC(CC(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC000913546011 657525678 /nfs/dbraw/zinc/52/56/78/657525678.db2.gz FMCPPYCHCDPBER-CYBMUJFWSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CCC(CC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC000913546011 657525685 /nfs/dbraw/zinc/52/56/85/657525685.db2.gz FMCPPYCHCDPBER-CYBMUJFWSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796780 657549747 /nfs/dbraw/zinc/54/97/47/657549747.db2.gz QSPMOPSDCDBNIC-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796780 657549763 /nfs/dbraw/zinc/54/97/63/657549763.db2.gz QSPMOPSDCDBNIC-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796778 657552053 /nfs/dbraw/zinc/55/20/53/657552053.db2.gz QSPMOPSDCDBNIC-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796778 657552060 /nfs/dbraw/zinc/55/20/60/657552060.db2.gz QSPMOPSDCDBNIC-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP O=C(NC12CC[NH+](CC1)C2)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000913635890 657572433 /nfs/dbraw/zinc/57/24/33/657572433.db2.gz RSVJFFLPDILUPW-RYUDHWBXSA-N 2 1 265.357 -0.186 20 0 CBADMP C[NH+](C)CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000913676026 657580587 /nfs/dbraw/zinc/58/05/87/657580587.db2.gz KIZCCBPDGGTXJA-GFCCVEGCSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000913679928 657581803 /nfs/dbraw/zinc/58/18/03/657581803.db2.gz WYZAAKYHFRYGCX-CYBMUJFWSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000913679928 657581807 /nfs/dbraw/zinc/58/18/07/657581807.db2.gz WYZAAKYHFRYGCX-CYBMUJFWSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001015997668 657626075 /nfs/dbraw/zinc/62/60/75/657626075.db2.gz FRXVQVASELTKPX-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001015997668 657626088 /nfs/dbraw/zinc/62/60/88/657626088.db2.gz FRXVQVASELTKPX-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001015997668 657626096 /nfs/dbraw/zinc/62/60/96/657626096.db2.gz FRXVQVASELTKPX-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001016001054 657627954 /nfs/dbraw/zinc/62/79/54/657627954.db2.gz HPQBHHSAOFGHBS-VXGBXAGGSA-N 2 1 292.383 -0.839 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001016001054 657627960 /nfs/dbraw/zinc/62/79/60/657627960.db2.gz HPQBHHSAOFGHBS-VXGBXAGGSA-N 2 1 292.383 -0.839 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003587 657627989 /nfs/dbraw/zinc/62/79/89/657627989.db2.gz KMFJBJLFBIXNNB-NEPJUHHUSA-N 2 1 294.399 -0.593 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003587 657628001 /nfs/dbraw/zinc/62/80/01/657628001.db2.gz KMFJBJLFBIXNNB-NEPJUHHUSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004498 657631159 /nfs/dbraw/zinc/63/11/59/657631159.db2.gz XYOLBWXPZXXQMH-VXGBXAGGSA-N 2 1 267.373 -0.347 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001016248618 657669500 /nfs/dbraw/zinc/66/95/00/657669500.db2.gz CFCGTRKGSIRNQJ-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001016248618 657669510 /nfs/dbraw/zinc/66/95/10/657669510.db2.gz CFCGTRKGSIRNQJ-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001016248618 657669521 /nfs/dbraw/zinc/66/95/21/657669521.db2.gz CFCGTRKGSIRNQJ-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001016302503 657687720 /nfs/dbraw/zinc/68/77/20/657687720.db2.gz MURKYILAYAHKTE-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001016302503 657687735 /nfs/dbraw/zinc/68/77/35/657687735.db2.gz MURKYILAYAHKTE-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001016302503 657687744 /nfs/dbraw/zinc/68/77/44/657687744.db2.gz MURKYILAYAHKTE-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001016302503 657687753 /nfs/dbraw/zinc/68/77/53/657687753.db2.gz MURKYILAYAHKTE-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[C@H](CO)[NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000915875447 657754937 /nfs/dbraw/zinc/75/49/37/657754937.db2.gz KGCJLISQNISEPI-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001018264774 657798833 /nfs/dbraw/zinc/79/88/33/657798833.db2.gz AMQKVEWFMDKJSY-RFQIPJPRSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001018264774 657798840 /nfs/dbraw/zinc/79/88/40/657798840.db2.gz AMQKVEWFMDKJSY-RFQIPJPRSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001018264774 657798846 /nfs/dbraw/zinc/79/88/46/657798846.db2.gz AMQKVEWFMDKJSY-RFQIPJPRSA-N 2 1 281.400 -0.006 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)NC1CC[NH+](CCO)CC1 ZINC000917836033 657818733 /nfs/dbraw/zinc/81/87/33/657818733.db2.gz AMSDYABEIAVIBV-LBPRGKRZSA-N 2 1 270.377 -0.554 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1)[NH+](C)C ZINC001019032451 657858878 /nfs/dbraw/zinc/85/88/78/657858878.db2.gz XVRMBJGCDGMJGK-WCQYABFASA-N 2 1 294.403 -0.154 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019044803 657859905 /nfs/dbraw/zinc/85/99/05/657859905.db2.gz ZDMSREYFUUCWSS-QWRGUYRKSA-N 2 1 268.361 -0.854 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001019153405 657866372 /nfs/dbraw/zinc/86/63/72/657866372.db2.gz XNZTZMABZDZHOF-QWRGUYRKSA-N 2 1 279.344 -0.744 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)CC[N@H+]1C ZINC001019288755 657880024 /nfs/dbraw/zinc/88/00/24/657880024.db2.gz BUYCFDMHMCWANF-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)C(N)=O ZINC001019386169 657891260 /nfs/dbraw/zinc/89/12/60/657891260.db2.gz GLDUHHDBPRNEJY-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001019800345 657942769 /nfs/dbraw/zinc/94/27/69/657942769.db2.gz GJKBCWGOWSQZBD-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001019800345 657942787 /nfs/dbraw/zinc/94/27/87/657942787.db2.gz GJKBCWGOWSQZBD-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019820294 657948530 /nfs/dbraw/zinc/94/85/30/657948530.db2.gz DSSSJUXUEHRUHE-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001020025554 657986729 /nfs/dbraw/zinc/98/67/29/657986729.db2.gz SQMFZLOPCDCSBW-DCAQKATOSA-N 2 1 293.375 -0.959 20 0 CBADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001020025554 657986738 /nfs/dbraw/zinc/98/67/38/657986738.db2.gz SQMFZLOPCDCSBW-DCAQKATOSA-N 2 1 293.375 -0.959 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020026109 657987282 /nfs/dbraw/zinc/98/72/82/657987282.db2.gz HMPQZVSCATUYRI-BJDJZHNGSA-N 2 1 280.372 -0.794 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001020029224 657989700 /nfs/dbraw/zinc/98/97/00/657989700.db2.gz YIASNRMYFQTLLX-KKOKHZNYSA-N 2 1 255.362 -0.302 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001020029222 657991978 /nfs/dbraw/zinc/99/19/78/657991978.db2.gz YIASNRMYFQTLLX-DDHJBXDOSA-N 2 1 255.362 -0.302 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001020150987 658018823 /nfs/dbraw/zinc/01/88/23/658018823.db2.gz GSIYGAMVCAMHEP-LPWJVIDDSA-N 2 1 294.399 -0.417 20 0 CBADMP 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 658022401 /nfs/dbraw/zinc/02/24/01/658022401.db2.gz CHFQVVCOSIWJCY-PJSNJIKXSA-N 2 1 296.415 -0.173 20 0 CBADMP 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 658022691 /nfs/dbraw/zinc/02/26/91/658022691.db2.gz NXYKGGLUUJVEER-VEGXAWMVSA-N 2 1 296.415 -0.173 20 0 CBADMP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001020178873 658025160 /nfs/dbraw/zinc/02/51/60/658025160.db2.gz HQMVDZHXBSNZFF-LPWJVIDDSA-N 2 1 283.372 -0.921 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020214139 658026953 /nfs/dbraw/zinc/02/69/53/658026953.db2.gz JTWZBLWVSHGZBT-IJLUTSLNSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001020297243 658034505 /nfs/dbraw/zinc/03/45/05/658034505.db2.gz DIVPEINEQVVBNN-DDHJBXDOSA-N 2 1 282.388 -0.419 20 0 CBADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001020287132 658035262 /nfs/dbraw/zinc/03/52/62/658035262.db2.gz UDJUGEOBXPGZKF-DDHJBXDOSA-N 2 1 255.362 -0.038 20 0 CBADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001020287132 658035263 /nfs/dbraw/zinc/03/52/63/658035263.db2.gz UDJUGEOBXPGZKF-DDHJBXDOSA-N 2 1 255.362 -0.038 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001020297245 658035389 /nfs/dbraw/zinc/03/53/89/658035389.db2.gz DIVPEINEQVVBNN-KKOKHZNYSA-N 2 1 282.388 -0.419 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001020288431 658035686 /nfs/dbraw/zinc/03/56/86/658035686.db2.gz ANVGSNPIDCSWSI-LPWJVIDDSA-N 2 1 294.399 -0.275 20 0 CBADMP 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 658061824 /nfs/dbraw/zinc/06/18/24/658061824.db2.gz FZCKOORZZIMCKC-PPCPHDFISA-N 2 1 296.415 -0.173 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020591303 658076298 /nfs/dbraw/zinc/07/62/98/658076298.db2.gz KGAPJKMELSVMTL-XYPYZODXSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001020928339 658118062 /nfs/dbraw/zinc/11/80/62/658118062.db2.gz CMZLSADQFOBLER-LPWJVIDDSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001020928337 658118953 /nfs/dbraw/zinc/11/89/53/658118953.db2.gz CMZLSADQFOBLER-CYDGBPFRSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001020929277 658119345 /nfs/dbraw/zinc/11/93/45/658119345.db2.gz VYCJSWIYMWPGRM-RNJOBUHISA-N 2 1 269.389 -0.054 20 0 CBADMP O=C(N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1)C12CC[NH+](CC1)C2 ZINC001020933579 658120211 /nfs/dbraw/zinc/12/02/11/658120211.db2.gz JUFDYRKLPDHVAB-XYPYZODXSA-N 2 1 291.355 -0.098 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001021044766 658137551 /nfs/dbraw/zinc/13/75/51/658137551.db2.gz SZASUUBNTYJYKE-BJDJZHNGSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001021043565 658137999 /nfs/dbraw/zinc/13/79/99/658137999.db2.gz CGLUCNZFXSIBJV-LMLFDSFASA-N 2 1 268.361 -0.951 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001021053661 658140792 /nfs/dbraw/zinc/14/07/92/658140792.db2.gz TYPDOAVMPMRQCT-SRVKXCTJSA-N 2 1 291.355 -0.683 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)O)C1 ZINC001021053486 658141558 /nfs/dbraw/zinc/14/15/58/658141558.db2.gz PPXIJKIQARJVKO-DLOVCJGASA-N 2 1 266.345 -0.191 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001021096432 658151761 /nfs/dbraw/zinc/15/17/61/658151761.db2.gz SUAAEHKRKUYAQA-SRVKXCTJSA-N 2 1 282.388 -0.417 20 0 CBADMP CSC[C@@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000923282214 658188778 /nfs/dbraw/zinc/18/87/78/658188778.db2.gz STXVNWBAUYAFMP-QWRGUYRKSA-N 2 1 275.418 -0.503 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923279860 658189840 /nfs/dbraw/zinc/18/98/40/658189840.db2.gz CKVXPPFFOCGNNK-QWHCGFSZSA-N 2 1 295.387 -0.969 20 0 CBADMP CSC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000923282212 658191755 /nfs/dbraw/zinc/19/17/55/658191755.db2.gz STXVNWBAUYAFMP-GHMZBOCLSA-N 2 1 275.418 -0.503 20 0 CBADMP CN1CC(=O)N(CC[N@@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000923281976 658192230 /nfs/dbraw/zinc/19/22/30/658192230.db2.gz SJBALWRZEISSPT-SNVBAGLBSA-N 2 1 254.334 -0.449 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000923281976 658192253 /nfs/dbraw/zinc/19/22/53/658192253.db2.gz SJBALWRZEISSPT-SNVBAGLBSA-N 2 1 254.334 -0.449 20 0 CBADMP CN(C)C(=O)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923303223 658198124 /nfs/dbraw/zinc/19/81/24/658198124.db2.gz AMWURTVOAXTPHQ-GFCCVEGCSA-N 2 1 282.388 -0.336 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923298849 658200494 /nfs/dbraw/zinc/20/04/94/658200494.db2.gz GGJWKRYPOPFYHJ-OLZOCXBDSA-N 2 1 261.410 -0.112 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](Cn3cncn3)C2)C1 ZINC000923321318 658207692 /nfs/dbraw/zinc/20/76/92/658207692.db2.gz FESUFZBDQAHSOI-VOAKCMCISA-N 2 1 265.361 -0.159 20 0 CBADMP CCC[C@H]1C[NH2+]CCN1C[C@@H](O)C[N@@H+](C)CCOC ZINC000923330407 658215955 /nfs/dbraw/zinc/21/59/55/658215955.db2.gz DWBVVLJGTHLBMR-KBPBESRZSA-N 2 1 273.421 -0.001 20 0 CBADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]12 ZINC000923333113 658217014 /nfs/dbraw/zinc/21/70/14/658217014.db2.gz OUBZTHVFRJNKEI-FVCCEPFGSA-N 2 1 250.346 -0.087 20 0 CBADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@H]12 ZINC000923333110 658218761 /nfs/dbraw/zinc/21/87/61/658218761.db2.gz OUBZTHVFRJNKEI-FDYHWXHSSA-N 2 1 250.346 -0.087 20 0 CBADMP O[C@@H](COC[C@@H]1CCCO1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000923349279 658223350 /nfs/dbraw/zinc/22/33/50/658223350.db2.gz UPQCRRPCPRZPKQ-RQJABVFESA-N 2 1 270.373 -0.306 20 0 CBADMP CN1CC(=O)N(CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000923365295 658233479 /nfs/dbraw/zinc/23/34/79/658233479.db2.gz DUOWUDVHGIHDFT-AWEZNQCLSA-N 2 1 280.372 -0.044 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000923365295 658233500 /nfs/dbraw/zinc/23/35/00/658233500.db2.gz DUOWUDVHGIHDFT-AWEZNQCLSA-N 2 1 280.372 -0.044 20 0 CBADMP CCOCC[C@H](O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923367634 658234874 /nfs/dbraw/zinc/23/48/74/658234874.db2.gz VUPYBLJLIJMZHC-KBPBESRZSA-N 2 1 271.405 -0.247 20 0 CBADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923366869 658236459 /nfs/dbraw/zinc/23/64/59/658236459.db2.gz PNTLBARECPOOHL-GJZGRUSLSA-N 2 1 285.432 -0.001 20 0 CBADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCN1C(=O)CN(C)C1=O ZINC000923369962 658242688 /nfs/dbraw/zinc/24/26/88/658242688.db2.gz NTEKJXNXYDCVIL-CKYFFXLPSA-N 2 1 268.361 -0.144 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H](C)O1 ZINC000923388614 658249181 /nfs/dbraw/zinc/24/91/81/658249181.db2.gz SNYIQMQXRWLRMI-TUAOUCFPSA-N 2 1 284.356 -0.373 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H](C)O1 ZINC000923388614 658249212 /nfs/dbraw/zinc/24/92/12/658249212.db2.gz SNYIQMQXRWLRMI-TUAOUCFPSA-N 2 1 284.356 -0.373 20 0 CBADMP OCC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923399985 658254357 /nfs/dbraw/zinc/25/43/57/658254357.db2.gz VMYQMJZIVAJNLV-GFCCVEGCSA-N 2 1 279.388 -0.009 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC2CC1(C[NH3+])C2 ZINC000923392320 658255946 /nfs/dbraw/zinc/25/59/46/658255946.db2.gz VJYGOSMAZHYBAR-CPCZMJQVSA-N 2 1 257.378 -0.651 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H](C)O1 ZINC000923402036 658259883 /nfs/dbraw/zinc/25/98/83/658259883.db2.gz SNYIQMQXRWLRMI-WOPDTQHZSA-N 2 1 284.356 -0.373 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H](C)O1 ZINC000923402036 658259902 /nfs/dbraw/zinc/25/99/02/658259902.db2.gz SNYIQMQXRWLRMI-WOPDTQHZSA-N 2 1 284.356 -0.373 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923400838 658260465 /nfs/dbraw/zinc/26/04/65/658260465.db2.gz FSTIRUVTSPJUHM-RYUDHWBXSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000923406668 658266101 /nfs/dbraw/zinc/26/61/01/658266101.db2.gz ZKCYWVVNCGLFKH-RYUDHWBXSA-N 2 1 297.403 -0.671 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000923406668 658266115 /nfs/dbraw/zinc/26/61/15/658266115.db2.gz ZKCYWVVNCGLFKH-RYUDHWBXSA-N 2 1 297.403 -0.671 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000923406668 658266140 /nfs/dbraw/zinc/26/61/40/658266140.db2.gz ZKCYWVVNCGLFKH-RYUDHWBXSA-N 2 1 297.403 -0.671 20 0 CBADMP CCOC[C@@H](O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413166 658270355 /nfs/dbraw/zinc/27/03/55/658270355.db2.gz DVOSFYXTXAXWDU-XQHKEYJVSA-N 2 1 299.371 -0.749 20 0 CBADMP CC[C@H](O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923415015 658270849 /nfs/dbraw/zinc/27/08/49/658270849.db2.gz PIZFZGPIIGDQNV-YFKTTZPYSA-N 2 1 269.345 -0.376 20 0 CBADMP COC[C@H](O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923427956 658273184 /nfs/dbraw/zinc/27/31/84/658273184.db2.gz FSLNSRARIOQXNJ-WGBDABJCSA-N 2 1 272.345 -0.794 20 0 CBADMP O=C1NCC[C@@H]2CCC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)[C@@H]12 ZINC000923426211 658275024 /nfs/dbraw/zinc/27/50/24/658275024.db2.gz LSJCVHPCCNSARE-RWMBFGLXSA-N 2 1 279.384 -0.035 20 0 CBADMP c1nnn2c1C[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)CCC2 ZINC000923425354 658275176 /nfs/dbraw/zinc/27/51/76/658275176.db2.gz KYRBIUNMPSUQGA-GFCCVEGCSA-N 2 1 263.345 -0.138 20 0 CBADMP c1nnn2c1C[N@@H+](C[C@H]1CC3(C[NH2+]C3)CO1)CCC2 ZINC000923425354 658275183 /nfs/dbraw/zinc/27/51/83/658275183.db2.gz KYRBIUNMPSUQGA-GFCCVEGCSA-N 2 1 263.345 -0.138 20 0 CBADMP COC[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923431353 658276489 /nfs/dbraw/zinc/27/64/89/658276489.db2.gz POEMEJUUKJQJOA-ZNMIVQPWSA-N 2 1 283.416 -0.106 20 0 CBADMP COC[C@@H](O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000923431353 658276501 /nfs/dbraw/zinc/27/65/01/658276501.db2.gz POEMEJUUKJQJOA-ZNMIVQPWSA-N 2 1 283.416 -0.106 20 0 CBADMP COC[C@@H](O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000923431353 658276511 /nfs/dbraw/zinc/27/65/11/658276511.db2.gz POEMEJUUKJQJOA-ZNMIVQPWSA-N 2 1 283.416 -0.106 20 0 CBADMP NC(=O)[C@H](c1ccccc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923463445 658289748 /nfs/dbraw/zinc/28/97/48/658289748.db2.gz HBLQKNXDWDGKKQ-ZDUSSCGKSA-N 2 1 262.357 -0.292 20 0 CBADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCNCC[NH2+]CC1 ZINC000923462320 658289823 /nfs/dbraw/zinc/28/98/23/658289823.db2.gz IOLNUNUIWAAELA-HOTGVXAUSA-N 2 1 292.427 -0.588 20 0 CBADMP C[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923460764 658291777 /nfs/dbraw/zinc/29/17/77/658291777.db2.gz UYWWXAGBWBAFAF-CYBMUJFWSA-N 2 1 268.405 -0.260 20 0 CBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCc1cccs1 ZINC000923466743 658297086 /nfs/dbraw/zinc/29/70/86/658297086.db2.gz WOJJLNTZXFXKNX-UHFFFAOYSA-N 2 1 282.413 -0.141 20 0 CBADMP C[C@H](C(=O)NC(C)(C)C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465147 658297672 /nfs/dbraw/zinc/29/76/72/658297672.db2.gz VFZMMEGCRGLWOD-LLVKDONJSA-N 2 1 256.394 -0.216 20 0 CBADMP Cc1cc(NC(=O)CN2CC[NH2+]CC[NH2+]CC2)no1 ZINC000923466301 658298087 /nfs/dbraw/zinc/29/80/87/658298087.db2.gz MLJJRNUIIBEUJJ-UHFFFAOYSA-N 2 1 267.333 -0.584 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000923479651 658302806 /nfs/dbraw/zinc/30/28/06/658302806.db2.gz RKPAXHOZAFTIDY-JTQLQIEISA-N 2 1 254.334 -0.449 20 0 CBADMP CCCC[N@@H+](C)CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923609446 658348512 /nfs/dbraw/zinc/34/85/12/658348512.db2.gz ALJRGFFJLXLLRR-UHFFFAOYSA-N 2 1 278.422 -0.542 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495561 658307154 /nfs/dbraw/zinc/30/71/54/658307154.db2.gz CHXIGJRBVJXYLO-MNOVXSKESA-N 2 1 263.407 -0.158 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495562 658306501 /nfs/dbraw/zinc/30/65/01/658306501.db2.gz CHXIGJRBVJXYLO-QWRGUYRKSA-N 2 1 263.407 -0.158 20 0 CBADMP C[C@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)CC[C@H]1C[NH3+] ZINC000923494605 658306637 /nfs/dbraw/zinc/30/66/37/658306637.db2.gz ZASSGMXTZAJSHV-QWRGUYRKSA-N 2 1 268.361 -0.203 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491492 658306857 /nfs/dbraw/zinc/30/68/57/658306857.db2.gz IERXAUYEFCFYLF-MCIONIFRSA-N 2 1 273.421 -0.158 20 0 CBADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000923491342 658307557 /nfs/dbraw/zinc/30/75/57/658307557.db2.gz IHPGEFWGYFFJCL-CYBMUJFWSA-N 2 1 296.415 -0.214 20 0 CBADMP C[C@@H](NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1)C(=O)N(C)C ZINC000923493635 658307689 /nfs/dbraw/zinc/30/76/89/658307689.db2.gz UJDNWMDKFLTBCP-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498682 658308025 /nfs/dbraw/zinc/30/80/25/658308025.db2.gz JBJUPRDMGFCQOL-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503963 658309266 /nfs/dbraw/zinc/30/92/66/658309266.db2.gz MYENMLZMRLGOGK-NXEZZACHSA-N 2 1 256.350 -0.251 20 0 CBADMP C[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)CC[C@H]1C[NH3+] ZINC000923502566 658310109 /nfs/dbraw/zinc/31/01/09/658310109.db2.gz BVZDGFFXRICLHJ-UWVGGRQHSA-N 2 1 268.361 -0.109 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502933 658310983 /nfs/dbraw/zinc/31/09/83/658310983.db2.gz FCULKTXZZHEACX-UTLUCORTSA-N 2 1 256.350 -0.253 20 0 CBADMP [NH3+]CCCCCCC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000923549503 658319449 /nfs/dbraw/zinc/31/94/49/658319449.db2.gz KGVQBNSHSRAJEP-GFCCVEGCSA-N 2 1 290.433 -0.270 20 0 CBADMP C[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000923568209 658332236 /nfs/dbraw/zinc/33/22/36/658332236.db2.gz FTIIFJCRNCZLJX-OUAUKWLOSA-N 2 1 261.391 -0.250 20 0 CBADMP CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)C1C[NH2+]C1 ZINC000923610187 658348669 /nfs/dbraw/zinc/34/86/69/658348669.db2.gz NBAFLMPZPJORAC-JTQLQIEISA-N 2 1 259.375 -0.544 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)C1C[NH2+]C1 ZINC000923608545 658349371 /nfs/dbraw/zinc/34/93/71/658349371.db2.gz UDXPPLOZAJRTDM-SNVBAGLBSA-N 2 1 261.391 -0.248 20 0 CBADMP Cc1[nH+]ccn1CCCN(C)S(=O)(=O)C1C[NH2+]C1 ZINC000923630339 658363457 /nfs/dbraw/zinc/36/34/57/658363457.db2.gz VVSYCOLJHMNTBK-UHFFFAOYSA-N 2 1 272.374 -0.185 20 0 CBADMP O=S(=O)(C1C[NH2+]C1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000923648853 658374209 /nfs/dbraw/zinc/37/42/09/658374209.db2.gz VUFLWAXWVUKYOQ-CYBMUJFWSA-N 2 1 281.381 -0.066 20 0 CBADMP CC(C)[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000923665880 658389307 /nfs/dbraw/zinc/38/93/07/658389307.db2.gz HUBHEWBUKWKXEB-GFCCVEGCSA-N 2 1 290.433 -0.592 20 0 CBADMP O=S(=O)(N1CC[NH2+]CC1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923668885 658389799 /nfs/dbraw/zinc/38/97/99/658389799.db2.gz OKJNBOQYHYIQKA-VXGBXAGGSA-N 2 1 288.417 -0.790 20 0 CBADMP O=C(NC[C@H]1C[N@@H+](CCF)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC000958215337 658593357 /nfs/dbraw/zinc/59/33/57/658593357.db2.gz VZGCFFMMOWTWCM-STQMWFEESA-N 2 1 299.390 -0.007 20 0 CBADMP O=C(NC[C@H]1C[N@H+](CCF)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC000958215337 658593389 /nfs/dbraw/zinc/59/33/89/658593389.db2.gz VZGCFFMMOWTWCM-STQMWFEESA-N 2 1 299.390 -0.007 20 0 CBADMP C[C@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)C[NH+]1CCOCC1 ZINC000924555737 658613840 /nfs/dbraw/zinc/61/38/40/658613840.db2.gz JIZLWVSDZPCNNY-NWDGAFQWSA-N 2 1 298.387 -0.563 20 0 CBADMP CN(CCC[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2)S(C)(=O)=O ZINC000924654563 658627148 /nfs/dbraw/zinc/62/71/48/658627148.db2.gz ULYKDAPPLFGHMD-NWDGAFQWSA-N 2 1 275.418 -0.048 20 0 CBADMP CN(CCC[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2)S(C)(=O)=O ZINC000924654563 658627154 /nfs/dbraw/zinc/62/71/54/658627154.db2.gz ULYKDAPPLFGHMD-NWDGAFQWSA-N 2 1 275.418 -0.048 20 0 CBADMP C[NH+](C)C[C@H]1NC(=O)N([C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000924886765 658652978 /nfs/dbraw/zinc/65/29/78/658652978.db2.gz PCFNAIGFERYPAU-WDEREUQCSA-N 2 1 266.345 -0.295 20 0 CBADMP O=C(NC[C@H]1C[N@@H+](CCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958592464 658669990 /nfs/dbraw/zinc/66/99/90/658669990.db2.gz QBBUSIMDUHYIEI-RYUDHWBXSA-N 2 1 285.363 -0.539 20 0 CBADMP O=C(NC[C@H]1C[N@H+](CCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958592464 658669995 /nfs/dbraw/zinc/66/99/95/658669995.db2.gz QBBUSIMDUHYIEI-RYUDHWBXSA-N 2 1 285.363 -0.539 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000924975174 658677805 /nfs/dbraw/zinc/67/78/05/658677805.db2.gz RJZKYMUUAYRSQR-QWRGUYRKSA-N 2 1 253.346 -0.737 20 0 CBADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2C)cn1 ZINC000924981394 658688321 /nfs/dbraw/zinc/68/83/21/658688321.db2.gz NCZJAKMQTDNLQB-KGLIPLIRSA-N 2 1 292.383 -0.062 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@H+]1C)CC2 ZINC000924982696 658688787 /nfs/dbraw/zinc/68/87/87/658688787.db2.gz XNORAIBDYXCGEX-BNOWGMLFSA-N 2 1 292.383 -0.065 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1C)CC2 ZINC000924982696 658688807 /nfs/dbraw/zinc/68/88/07/658688807.db2.gz XNORAIBDYXCGEX-BNOWGMLFSA-N 2 1 292.383 -0.065 20 0 CBADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C(=O)NCC1(C)C ZINC000924990693 658706881 /nfs/dbraw/zinc/70/68/81/658706881.db2.gz HJGVXWRTSHNGSX-RYUDHWBXSA-N 2 1 268.405 -0.264 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC000960531302 658805125 /nfs/dbraw/zinc/80/51/25/658805125.db2.gz ZBKKPPDLCGNFBZ-WDNDVIMCSA-N 2 1 293.411 -0.099 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000925332155 658827559 /nfs/dbraw/zinc/82/75/59/658827559.db2.gz NJTJCBQGLZOGKU-NTZNESFSSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000925332155 658827560 /nfs/dbraw/zinc/82/75/60/658827560.db2.gz NJTJCBQGLZOGKU-NTZNESFSSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000925332155 658827564 /nfs/dbraw/zinc/82/75/64/658827564.db2.gz NJTJCBQGLZOGKU-NTZNESFSSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](CCO)C[C@H]2C)CC[N@@H+]1C ZINC000925340302 658829854 /nfs/dbraw/zinc/82/98/54/658829854.db2.gz JIQYHBPPAPUSJO-UPJWGTAASA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](CCO)C[C@H]2C)CC[N@H+]1C ZINC000925340302 658829856 /nfs/dbraw/zinc/82/98/56/658829856.db2.gz JIQYHBPPAPUSJO-UPJWGTAASA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CC[N@H+](CCO)C[C@H]2C)CC[NH+]1C ZINC000925340302 658829859 /nfs/dbraw/zinc/82/98/59/658829859.db2.gz JIQYHBPPAPUSJO-UPJWGTAASA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CC[N@@H+](CCO)C[C@H]2C)CC[NH+]1C ZINC000925340302 658829861 /nfs/dbraw/zinc/82/98/61/658829861.db2.gz JIQYHBPPAPUSJO-UPJWGTAASA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961666987 658830436 /nfs/dbraw/zinc/83/04/36/658830436.db2.gz YNFHLQHAZSJUOQ-ZZVYKPCYSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925344072 658830783 /nfs/dbraw/zinc/83/07/83/658830783.db2.gz PABWGOFMCMUELS-AVGNSLFASA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000925344072 658830784 /nfs/dbraw/zinc/83/07/84/658830784.db2.gz PABWGOFMCMUELS-AVGNSLFASA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000925346770 658832756 /nfs/dbraw/zinc/83/27/56/658832756.db2.gz VTQBGVDFIAZQQN-IJLUTSLNSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000925346770 658832759 /nfs/dbraw/zinc/83/27/59/658832759.db2.gz VTQBGVDFIAZQQN-IJLUTSLNSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000925346770 658832762 /nfs/dbraw/zinc/83/27/62/658832762.db2.gz VTQBGVDFIAZQQN-IJLUTSLNSA-N 2 1 270.377 -0.555 20 0 CBADMP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)CCO1 ZINC000925405353 658837757 /nfs/dbraw/zinc/83/77/57/658837757.db2.gz FWGVVLRSUXKEJJ-NWDGAFQWSA-N 2 1 270.377 -0.338 20 0 CBADMP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925409489 658839218 /nfs/dbraw/zinc/83/92/18/658839218.db2.gz VYADXFBSAKEWPV-GFCCVEGCSA-N 2 1 272.393 -0.090 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000925408048 658840288 /nfs/dbraw/zinc/84/02/88/658840288.db2.gz NXXDHTFCCVREIX-HZSPNIEDSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962294827 658850497 /nfs/dbraw/zinc/85/04/97/658850497.db2.gz DYADVNLAXLTJJW-WUHRBBMRSA-N 2 1 279.384 -0.491 20 0 CBADMP C[NH+]1CCN(C(=O)CCN[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925489208 658856397 /nfs/dbraw/zinc/85/63/97/658856397.db2.gz JFTLJCFIPHXWAF-GFCCVEGCSA-N 2 1 268.405 -0.119 20 0 CBADMP C[NH+]1CCN(C(=O)CCN[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925489210 658857112 /nfs/dbraw/zinc/85/71/12/658857112.db2.gz JFTLJCFIPHXWAF-LBPRGKRZSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@H](CN[C@H]1C[NH2+]CCOC1)C[NH+]1CCOCC1 ZINC000925508977 658857254 /nfs/dbraw/zinc/85/72/54/658857254.db2.gz KSJRMZPAPFLMEP-OLZOCXBDSA-N 2 1 257.378 -0.467 20 0 CBADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000925541618 658857844 /nfs/dbraw/zinc/85/78/44/658857844.db2.gz COQZAYGHIIBZEE-MNOVXSKESA-N 2 1 255.362 -0.001 20 0 CBADMP CN1CC[NH+](CCCCN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925546517 658858509 /nfs/dbraw/zinc/85/85/09/658858509.db2.gz ODPVLGHVXQJPQS-CQSZACIVSA-N 2 1 270.421 -0.408 20 0 CBADMP C[NH+]1CCN(C(=O)CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925615316 658861674 /nfs/dbraw/zinc/86/16/74/658861674.db2.gz FXQXZHVSGPJOCG-SZWZKDINSA-N 2 1 278.400 -0.654 20 0 CBADMP C[NH+]1CCN(C(=O)CN[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925618537 658863519 /nfs/dbraw/zinc/86/35/19/658863519.db2.gz WNRPUWYBYGAGKQ-GFCCVEGCSA-N 2 1 266.389 -0.365 20 0 CBADMP CC1(C)C[C@@H]([NH2+]CC(=O)N2CCNCC2)C[C@@H]([NH3+])C1 ZINC000925694523 658866003 /nfs/dbraw/zinc/86/60/03/658866003.db2.gz UWNSWRLRFCDYGJ-NEPJUHHUSA-N 2 1 268.405 -0.086 20 0 CBADMP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)Cn1ccnn1 ZINC000925686781 658866220 /nfs/dbraw/zinc/86/62/20/658866220.db2.gz WHKHJICGCBDABY-RYUDHWBXSA-N 2 1 265.361 -0.097 20 0 CBADMP COC(=O)CCNC(=O)CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925717091 658867122 /nfs/dbraw/zinc/86/71/22/658867122.db2.gz IMLARBUGGLEWCM-YMYJPDDMSA-N 2 1 295.383 -0.358 20 0 CBADMP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925720144 658867706 /nfs/dbraw/zinc/86/77/06/658867706.db2.gz XBLPWCVXKYGKPA-GHMZBOCLSA-N 2 1 271.361 -0.214 20 0 CBADMP C[C@@H](N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1C[NH2+]C1 ZINC000925771418 658870510 /nfs/dbraw/zinc/87/05/10/658870510.db2.gz YBNGRWSRIPDJER-GDBMZVCRSA-N 2 1 296.459 -0.020 20 0 CBADMP C[C@@H](N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1C[NH2+]C1 ZINC000925771418 658870514 /nfs/dbraw/zinc/87/05/14/658870514.db2.gz YBNGRWSRIPDJER-GDBMZVCRSA-N 2 1 296.459 -0.020 20 0 CBADMP C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)C1C[NH2+]C1 ZINC000925774144 658871138 /nfs/dbraw/zinc/87/11/38/658871138.db2.gz KSLBUCJCAIGMML-VIFPVBQESA-N 2 1 261.391 -0.392 20 0 CBADMP O=C1NCCN1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925777968 658871210 /nfs/dbraw/zinc/87/12/10/658871210.db2.gz SAAHIDUMVRTTMB-KKJSVHSVSA-N 2 1 250.346 -0.402 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000926352873 658896008 /nfs/dbraw/zinc/89/60/08/658896008.db2.gz QEMWFRRVUFQKRK-FRRDWIJNSA-N 2 1 296.415 -0.408 20 0 CBADMP 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 658896042 /nfs/dbraw/zinc/89/60/42/658896042.db2.gz KYWYUHYIOTYPAS-XQHKEYJVSA-N 2 1 296.415 -0.409 20 0 CBADMP C[C@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)CN1CCCC1 ZINC000968652140 658938236 /nfs/dbraw/zinc/93/82/36/658938236.db2.gz PIBBTNZJPHCRGG-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000968652140 658938249 /nfs/dbraw/zinc/93/82/49/658938249.db2.gz PIBBTNZJPHCRGG-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)Cn1ccnc1 ZINC000968702674 658939490 /nfs/dbraw/zinc/93/94/90/658939490.db2.gz OFNLLQLANKKJMT-NWDGAFQWSA-N 2 1 266.345 -0.298 20 0 CBADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC000968922345 658945503 /nfs/dbraw/zinc/94/55/03/658945503.db2.gz YKEVJMFWOZWUTC-WDEREUQCSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@H+]1C ZINC000928441910 659020903 /nfs/dbraw/zinc/02/09/03/659020903.db2.gz PXQRHDWAZWZOEQ-FRRDWIJNSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1C ZINC000928441910 659020906 /nfs/dbraw/zinc/02/09/06/659020906.db2.gz PXQRHDWAZWZOEQ-FRRDWIJNSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC[NH+]1C ZINC000928441910 659020915 /nfs/dbraw/zinc/02/09/15/659020915.db2.gz PXQRHDWAZWZOEQ-FRRDWIJNSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)C(N)=O ZINC000969964582 659027601 /nfs/dbraw/zinc/02/76/01/659027601.db2.gz GLDUHHDBPRNEJY-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000928555153 659038952 /nfs/dbraw/zinc/03/89/52/659038952.db2.gz LUSGGFIETCCJFD-VXGBXAGGSA-N 2 1 252.362 -0.803 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000928555153 659038954 /nfs/dbraw/zinc/03/89/54/659038954.db2.gz LUSGGFIETCCJFD-VXGBXAGGSA-N 2 1 252.362 -0.803 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000928555153 659038961 /nfs/dbraw/zinc/03/89/61/659038961.db2.gz LUSGGFIETCCJFD-VXGBXAGGSA-N 2 1 252.362 -0.803 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000928555152 659039554 /nfs/dbraw/zinc/03/95/54/659039554.db2.gz LUSGGFIETCCJFD-RYUDHWBXSA-N 2 1 252.362 -0.803 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000928555152 659039560 /nfs/dbraw/zinc/03/95/60/659039560.db2.gz LUSGGFIETCCJFD-RYUDHWBXSA-N 2 1 252.362 -0.803 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000928555152 659039568 /nfs/dbraw/zinc/03/95/68/659039568.db2.gz LUSGGFIETCCJFD-RYUDHWBXSA-N 2 1 252.362 -0.803 20 0 CBADMP CC[NH+]1CCN(CC(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000928562491 659046420 /nfs/dbraw/zinc/04/64/20/659046420.db2.gz GRGVPSVQYWBHDK-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2C)CC1=O ZINC000928562307 659046598 /nfs/dbraw/zinc/04/65/98/659046598.db2.gz HVEVKEGJGRIUNB-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000970724819 659069665 /nfs/dbraw/zinc/06/96/65/659069665.db2.gz VNIZWNAVMCQWQH-NEPJUHHUSA-N 2 1 291.355 -0.729 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CCO)C2)CC[N@H+]1C ZINC000971561593 659094412 /nfs/dbraw/zinc/09/44/12/659094412.db2.gz XVTPWNREVHCNTG-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CCO)C2)CC[NH+]1C ZINC000971561593 659094415 /nfs/dbraw/zinc/09/44/15/659094415.db2.gz XVTPWNREVHCNTG-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)CC[NH+]1C ZINC000971561593 659094420 /nfs/dbraw/zinc/09/44/20/659094420.db2.gz XVTPWNREVHCNTG-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CCO)C2)CC[N@H+]1C ZINC000971561594 659094464 /nfs/dbraw/zinc/09/44/64/659094464.db2.gz XVTPWNREVHCNTG-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCO)C2)CC[NH+]1C ZINC000971561594 659094468 /nfs/dbraw/zinc/09/44/68/659094468.db2.gz XVTPWNREVHCNTG-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)CC[NH+]1C ZINC000971561594 659094470 /nfs/dbraw/zinc/09/44/70/659094470.db2.gz XVTPWNREVHCNTG-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971801276 659098790 /nfs/dbraw/zinc/09/87/90/659098790.db2.gz OVAOQSNXTDLKPQ-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000971801276 659098794 /nfs/dbraw/zinc/09/87/94/659098794.db2.gz OVAOQSNXTDLKPQ-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000971801276 659098799 /nfs/dbraw/zinc/09/87/99/659098799.db2.gz OVAOQSNXTDLKPQ-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H](O)CO)CC1 ZINC000929426982 659124117 /nfs/dbraw/zinc/12/41/17/659124117.db2.gz PNRWLRBTPOKIII-KFWWJZLASA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972734899 659127055 /nfs/dbraw/zinc/12/70/55/659127055.db2.gz HCYCXWIRAVZMIC-RYUDHWBXSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@](C)(O)C1)[NH+]1CC[C@](C)(O)C1 ZINC000929790264 659172011 /nfs/dbraw/zinc/17/20/11/659172011.db2.gz WJCYNGQBGMRUFO-SNPRPXQTSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@](C)(O)C1)[NH+]1CC[C@](C)(O)C1 ZINC000929790264 659172014 /nfs/dbraw/zinc/17/20/14/659172014.db2.gz WJCYNGQBGMRUFO-SNPRPXQTSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@](C)(O)C1)[N@@H+]1CC[C@](C)(O)C1 ZINC000929790264 659172016 /nfs/dbraw/zinc/17/20/16/659172016.db2.gz WJCYNGQBGMRUFO-SNPRPXQTSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@](C)(O)C1)[N@H+]1CC[C@](C)(O)C1 ZINC000929790264 659172019 /nfs/dbraw/zinc/17/20/19/659172019.db2.gz WJCYNGQBGMRUFO-SNPRPXQTSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[NH+](C)C1CC1 ZINC000929957226 659186791 /nfs/dbraw/zinc/18/67/91/659186791.db2.gz OYSPTNHAPSXPJJ-CMPLNLGQSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)[NH+](C)C1CC1 ZINC000929957226 659186795 /nfs/dbraw/zinc/18/67/95/659186795.db2.gz OYSPTNHAPSXPJJ-CMPLNLGQSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1C)[N@H+](C)C1CC1 ZINC000929957226 659186798 /nfs/dbraw/zinc/18/67/98/659186798.db2.gz OYSPTNHAPSXPJJ-CMPLNLGQSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1C)[N@@H+](C)C1CC1 ZINC000929957226 659186801 /nfs/dbraw/zinc/18/68/01/659186801.db2.gz OYSPTNHAPSXPJJ-CMPLNLGQSA-N 2 1 282.388 -0.594 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2C[C@H](O)CO ZINC000930059408 659200900 /nfs/dbraw/zinc/20/09/00/659200900.db2.gz CLHGNRTZPAETPE-VOAKCMCISA-N 2 1 258.362 -0.477 20 0 CBADMP C[C@@H](CNC(=O)CN1C[C@@H](C)[C@H](O)C1)[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000930161279 659228883 /nfs/dbraw/zinc/22/88/83/659228883.db2.gz IJBYSFFTWKVEAK-MBJXGIAVSA-N 2 1 299.415 -0.884 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](O)C1)[NH+]1C[C@H](C)[C@H](O)C1 ZINC000930161279 659228907 /nfs/dbraw/zinc/22/89/07/659228907.db2.gz IJBYSFFTWKVEAK-MBJXGIAVSA-N 2 1 299.415 -0.884 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1C[C@@H](C)[C@H](O)C1)[NH+]1C[C@H](C)[C@H](O)C1 ZINC000930161279 659228924 /nfs/dbraw/zinc/22/89/24/659228924.db2.gz IJBYSFFTWKVEAK-MBJXGIAVSA-N 2 1 299.415 -0.884 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1C[C@@H](C)[C@H](O)C1)[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000930161279 659228941 /nfs/dbraw/zinc/22/89/41/659228941.db2.gz IJBYSFFTWKVEAK-MBJXGIAVSA-N 2 1 299.415 -0.884 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1C[C@@H](C)[C@H](O)C1)[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000930161279 659228960 /nfs/dbraw/zinc/22/89/60/659228960.db2.gz IJBYSFFTWKVEAK-MBJXGIAVSA-N 2 1 299.415 -0.884 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000980406283 659267907 /nfs/dbraw/zinc/26/79/07/659267907.db2.gz BOSNBPVEVBMFEE-GFCCVEGCSA-N 2 1 266.345 -0.283 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000980406283 659267930 /nfs/dbraw/zinc/26/79/30/659267930.db2.gz BOSNBPVEVBMFEE-GFCCVEGCSA-N 2 1 266.345 -0.283 20 0 CBADMP C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980404864 659269543 /nfs/dbraw/zinc/26/95/43/659269543.db2.gz DNCYDZHMDZXTPD-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CNC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000930748676 659336284 /nfs/dbraw/zinc/33/62/84/659336284.db2.gz ZCWWIHVUNMUGLN-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H](O)C[N@@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982220938 659344064 /nfs/dbraw/zinc/34/40/64/659344064.db2.gz CHXJBGJQYUCHDQ-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP C[C@H](O)C[N@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982220938 659344072 /nfs/dbraw/zinc/34/40/72/659344072.db2.gz CHXJBGJQYUCHDQ-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000930829537 659346291 /nfs/dbraw/zinc/34/62/91/659346291.db2.gz WVIUVQVSMDKSRI-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000930829537 659346298 /nfs/dbraw/zinc/34/62/98/659346298.db2.gz WVIUVQVSMDKSRI-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000930829537 659346304 /nfs/dbraw/zinc/34/63/04/659346304.db2.gz WVIUVQVSMDKSRI-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000930829537 659346312 /nfs/dbraw/zinc/34/63/12/659346312.db2.gz WVIUVQVSMDKSRI-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)C2(O)CCC2)C1 ZINC000930902673 659361935 /nfs/dbraw/zinc/36/19/35/659361935.db2.gz DQUQSDWZXGBFNW-QWHCGFSZSA-N 2 1 272.389 -0.349 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)C2(O)CCC2)C1 ZINC000930902673 659361940 /nfs/dbraw/zinc/36/19/40/659361940.db2.gz DQUQSDWZXGBFNW-QWHCGFSZSA-N 2 1 272.389 -0.349 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)C2(O)CCC2)C1 ZINC000930902675 659362707 /nfs/dbraw/zinc/36/27/07/659362707.db2.gz DQUQSDWZXGBFNW-STQMWFEESA-N 2 1 272.389 -0.349 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)C2(O)CCC2)C1 ZINC000930902675 659362720 /nfs/dbraw/zinc/36/27/20/659362720.db2.gz DQUQSDWZXGBFNW-STQMWFEESA-N 2 1 272.389 -0.349 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000985333117 659379592 /nfs/dbraw/zinc/37/95/92/659379592.db2.gz XRQRAZPYGFDRCC-YPMHNXCESA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000985333117 659379599 /nfs/dbraw/zinc/37/95/99/659379599.db2.gz XRQRAZPYGFDRCC-YPMHNXCESA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000985333117 659379604 /nfs/dbraw/zinc/37/96/04/659379604.db2.gz XRQRAZPYGFDRCC-YPMHNXCESA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000985790059 659399400 /nfs/dbraw/zinc/39/94/00/659399400.db2.gz OSXDRPBEADCOFF-LBPRGKRZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000985794193 659401576 /nfs/dbraw/zinc/40/15/76/659401576.db2.gz ZROWHIOJNKJPAK-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000985794193 659401594 /nfs/dbraw/zinc/40/15/94/659401594.db2.gz ZROWHIOJNKJPAK-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985794193 659401620 /nfs/dbraw/zinc/40/16/20/659401620.db2.gz ZROWHIOJNKJPAK-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H]1C ZINC000986572407 659458503 /nfs/dbraw/zinc/45/85/03/659458503.db2.gz IYLMYMMBPGJBPJ-WDEREUQCSA-N 2 1 279.344 -0.744 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CCO)[C@H]1C ZINC000986576222 659461252 /nfs/dbraw/zinc/46/12/52/659461252.db2.gz RVFWKSOEOUXYMH-VXGBXAGGSA-N 2 1 266.345 -0.237 20 0 CBADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)C[C@@]3(O)CCOC3)CC[C@H]21 ZINC000931545846 659483461 /nfs/dbraw/zinc/48/34/61/659483461.db2.gz HHZCPTVMKYPLJW-TUVASFSCSA-N 2 1 284.400 -0.085 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)C[C@@]3(O)CCOC3)CC[C@H]21 ZINC000931545846 659483473 /nfs/dbraw/zinc/48/34/73/659483473.db2.gz HHZCPTVMKYPLJW-TUVASFSCSA-N 2 1 284.400 -0.085 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)C[C@@]3(O)CCOC3)CC[C@H]21 ZINC000931545846 659483493 /nfs/dbraw/zinc/48/34/93/659483493.db2.gz HHZCPTVMKYPLJW-TUVASFSCSA-N 2 1 284.400 -0.085 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)C[C@@]3(O)CCOC3)CC[C@H]21 ZINC000931545846 659483505 /nfs/dbraw/zinc/48/35/05/659483505.db2.gz HHZCPTVMKYPLJW-TUVASFSCSA-N 2 1 284.400 -0.085 20 0 CBADMP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000986959313 659485631 /nfs/dbraw/zinc/48/56/31/659485631.db2.gz PBSNYPYSXSMDIV-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931874640 659533831 /nfs/dbraw/zinc/53/38/31/659533831.db2.gz MNKSPSQTHFREHO-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931874640 659533845 /nfs/dbraw/zinc/53/38/45/659533845.db2.gz MNKSPSQTHFREHO-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C)C(C)C ZINC000931875905 659537861 /nfs/dbraw/zinc/53/78/61/659537861.db2.gz UIWBODKHHHQVNJ-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C)C(C)C ZINC000931875905 659537867 /nfs/dbraw/zinc/53/78/67/659537867.db2.gz UIWBODKHHHQVNJ-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C(C)C ZINC000931875905 659537871 /nfs/dbraw/zinc/53/78/71/659537871.db2.gz UIWBODKHHHQVNJ-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)C(C)C ZINC000931875905 659537875 /nfs/dbraw/zinc/53/78/75/659537875.db2.gz UIWBODKHHHQVNJ-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC1 ZINC000931879711 659538486 /nfs/dbraw/zinc/53/84/86/659538486.db2.gz NCHUWCNHHFDNAL-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC1 ZINC000931879711 659538489 /nfs/dbraw/zinc/53/84/89/659538489.db2.gz NCHUWCNHHFDNAL-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000931879711 659538492 /nfs/dbraw/zinc/53/84/92/659538492.db2.gz NCHUWCNHHFDNAL-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000931879711 659538499 /nfs/dbraw/zinc/53/84/99/659538499.db2.gz NCHUWCNHHFDNAL-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931878690 659539641 /nfs/dbraw/zinc/53/96/41/659539641.db2.gz JZZAMBBKQIIDOB-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931878690 659539644 /nfs/dbraw/zinc/53/96/44/659539644.db2.gz JZZAMBBKQIIDOB-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931878690 659539647 /nfs/dbraw/zinc/53/96/47/659539647.db2.gz JZZAMBBKQIIDOB-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931878690 659539652 /nfs/dbraw/zinc/53/96/52/659539652.db2.gz JZZAMBBKQIIDOB-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931880197 659541008 /nfs/dbraw/zinc/54/10/08/659541008.db2.gz VVGPZRVPZKKNKL-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931880197 659541014 /nfs/dbraw/zinc/54/10/14/659541014.db2.gz VVGPZRVPZKKNKL-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+]1C ZINC000931880007 659541194 /nfs/dbraw/zinc/54/11/94/659541194.db2.gz ZIQVHAWOWRZDQG-FRRDWIJNSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+]1C ZINC000931880007 659541197 /nfs/dbraw/zinc/54/11/97/659541197.db2.gz ZIQVHAWOWRZDQG-FRRDWIJNSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+]1C ZINC000931880007 659541203 /nfs/dbraw/zinc/54/12/03/659541203.db2.gz ZIQVHAWOWRZDQG-FRRDWIJNSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC[NH+]1C ZINC000931880007 659541207 /nfs/dbraw/zinc/54/12/07/659541207.db2.gz ZIQVHAWOWRZDQG-FRRDWIJNSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931882061 659546367 /nfs/dbraw/zinc/54/63/67/659546367.db2.gz ZEDWCJXHCRNDKM-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931882061 659546385 /nfs/dbraw/zinc/54/63/85/659546385.db2.gz ZEDWCJXHCRNDKM-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931882061 659546406 /nfs/dbraw/zinc/54/64/06/659546406.db2.gz ZEDWCJXHCRNDKM-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931882061 659546428 /nfs/dbraw/zinc/54/64/28/659546428.db2.gz ZEDWCJXHCRNDKM-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931883815 659549040 /nfs/dbraw/zinc/54/90/40/659549040.db2.gz UTSVTUAPXAEUSA-LLVKDONJSA-N 2 1 270.377 -0.783 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931883815 659549052 /nfs/dbraw/zinc/54/90/52/659549052.db2.gz UTSVTUAPXAEUSA-LLVKDONJSA-N 2 1 270.377 -0.783 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000931888814 659554498 /nfs/dbraw/zinc/55/44/98/659554498.db2.gz SOSUDYJKNHGQQT-YNEHKIRRSA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000931888814 659554506 /nfs/dbraw/zinc/55/45/06/659554506.db2.gz SOSUDYJKNHGQQT-YNEHKIRRSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931888814 659554524 /nfs/dbraw/zinc/55/45/24/659554524.db2.gz SOSUDYJKNHGQQT-YNEHKIRRSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931888814 659554534 /nfs/dbraw/zinc/55/45/34/659554534.db2.gz SOSUDYJKNHGQQT-YNEHKIRRSA-N 2 1 294.399 -0.641 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931888073 659554720 /nfs/dbraw/zinc/55/47/20/659554720.db2.gz ZFAKJZKMTYIVRD-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931888073 659554730 /nfs/dbraw/zinc/55/47/30/659554730.db2.gz ZFAKJZKMTYIVRD-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931888073 659554733 /nfs/dbraw/zinc/55/47/33/659554733.db2.gz ZFAKJZKMTYIVRD-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931888073 659554738 /nfs/dbraw/zinc/55/47/38/659554738.db2.gz ZFAKJZKMTYIVRD-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000931888129 659555676 /nfs/dbraw/zinc/55/56/76/659555676.db2.gz ALJNUWDPUJRSDR-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000931888129 659555682 /nfs/dbraw/zinc/55/56/82/659555682.db2.gz ALJNUWDPUJRSDR-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000931888129 659555690 /nfs/dbraw/zinc/55/56/90/659555690.db2.gz ALJNUWDPUJRSDR-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000931888129 659555696 /nfs/dbraw/zinc/55/56/96/659555696.db2.gz ALJNUWDPUJRSDR-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000931888811 659556184 /nfs/dbraw/zinc/55/61/84/659556184.db2.gz SOSUDYJKNHGQQT-JHJVBQTASA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000931888811 659556190 /nfs/dbraw/zinc/55/61/90/659556190.db2.gz SOSUDYJKNHGQQT-JHJVBQTASA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931888811 659556202 /nfs/dbraw/zinc/55/62/02/659556202.db2.gz SOSUDYJKNHGQQT-JHJVBQTASA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000931888811 659556213 /nfs/dbraw/zinc/55/62/13/659556213.db2.gz SOSUDYJKNHGQQT-JHJVBQTASA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000931889001 659556544 /nfs/dbraw/zinc/55/65/44/659556544.db2.gz AWENXCGMFGPKRJ-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000931889001 659556546 /nfs/dbraw/zinc/55/65/46/659556546.db2.gz AWENXCGMFGPKRJ-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000931889001 659556547 /nfs/dbraw/zinc/55/65/47/659556547.db2.gz AWENXCGMFGPKRJ-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000931889001 659556548 /nfs/dbraw/zinc/55/65/48/659556548.db2.gz AWENXCGMFGPKRJ-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988968282 659564359 /nfs/dbraw/zinc/56/43/59/659564359.db2.gz RRKZAQDWBWXVCD-MNOVXSKESA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989661023 659605973 /nfs/dbraw/zinc/60/59/73/659605973.db2.gz FNLXIHSVAFQPJY-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989661023 659605976 /nfs/dbraw/zinc/60/59/76/659605976.db2.gz FNLXIHSVAFQPJY-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989661023 659605981 /nfs/dbraw/zinc/60/59/81/659605981.db2.gz FNLXIHSVAFQPJY-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989661026 659606547 /nfs/dbraw/zinc/60/65/47/659606547.db2.gz FNLXIHSVAFQPJY-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989661026 659606552 /nfs/dbraw/zinc/60/65/52/659606552.db2.gz FNLXIHSVAFQPJY-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989661026 659606556 /nfs/dbraw/zinc/60/65/56/659606556.db2.gz FNLXIHSVAFQPJY-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](O)C[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989669677 659606871 /nfs/dbraw/zinc/60/68/71/659606871.db2.gz GJJKZRQJWGMKIO-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](C[C@H](C)O)CC2)C1 ZINC000989707469 659609230 /nfs/dbraw/zinc/60/92/30/659609230.db2.gz DRZPWNROULAHJC-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](C[C@H](C)O)CC2)C1 ZINC000989707469 659609241 /nfs/dbraw/zinc/60/92/41/659609241.db2.gz DRZPWNROULAHJC-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](C[C@H](C)O)CC2)C1 ZINC000989707469 659609258 /nfs/dbraw/zinc/60/92/58/659609258.db2.gz DRZPWNROULAHJC-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](C[C@H](C)O)CC2)C1 ZINC000989707469 659609261 /nfs/dbraw/zinc/60/92/61/659609261.db2.gz DRZPWNROULAHJC-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](C[C@@H](C)O)CC2)C1 ZINC000989707468 659610075 /nfs/dbraw/zinc/61/00/75/659610075.db2.gz DRZPWNROULAHJC-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](C[C@@H](C)O)CC2)C1 ZINC000989707468 659610078 /nfs/dbraw/zinc/61/00/78/659610078.db2.gz DRZPWNROULAHJC-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](C[C@@H](C)O)CC2)C1 ZINC000989707468 659610083 /nfs/dbraw/zinc/61/00/83/659610083.db2.gz DRZPWNROULAHJC-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](C[C@@H](C)O)CC2)C1 ZINC000989707468 659610087 /nfs/dbraw/zinc/61/00/87/659610087.db2.gz DRZPWNROULAHJC-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@@H]1N(CC(N)=O)CC2 ZINC000990025276 659645713 /nfs/dbraw/zinc/64/57/13/659645713.db2.gz IFFLUSMQYFPZOF-XUJVJEKNSA-N 2 1 294.399 -0.321 20 0 CBADMP CN1CCC[C@@H]1C(=O)N[C@]12CCC[C@@H]1N(CC(N)=O)CC2 ZINC000990025276 659645720 /nfs/dbraw/zinc/64/57/20/659645720.db2.gz IFFLUSMQYFPZOF-XUJVJEKNSA-N 2 1 294.399 -0.321 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2C2OCCO2)CC1 ZINC000933899834 659749285 /nfs/dbraw/zinc/74/92/85/659749285.db2.gz RABJYKOBIPBXRN-CYBMUJFWSA-N 2 1 297.399 -0.012 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2C2OCCO2)CC1 ZINC000933899834 659749291 /nfs/dbraw/zinc/74/92/91/659749291.db2.gz RABJYKOBIPBXRN-CYBMUJFWSA-N 2 1 297.399 -0.012 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCN(C)CC[NH+](C)CC1 ZINC000933991977 659754750 /nfs/dbraw/zinc/75/47/50/659754750.db2.gz KPBJRDZMOYSWLL-HNNXBMFYSA-N 2 1 286.464 -0.133 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CCN(C)CC[N@H+](C)CC1 ZINC000933991977 659754757 /nfs/dbraw/zinc/75/47/57/659754757.db2.gz KPBJRDZMOYSWLL-HNNXBMFYSA-N 2 1 286.464 -0.133 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CCN(C)CC[N@@H+](C)CC1 ZINC000933991977 659754763 /nfs/dbraw/zinc/75/47/63/659754763.db2.gz KPBJRDZMOYSWLL-HNNXBMFYSA-N 2 1 286.464 -0.133 20 0 CBADMP C[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000990569042 659761552 /nfs/dbraw/zinc/76/15/52/659761552.db2.gz DJLXUBGDUMKBKE-AAEUAGOBSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000990569042 659761560 /nfs/dbraw/zinc/76/15/60/659761560.db2.gz DJLXUBGDUMKBKE-AAEUAGOBSA-N 2 1 285.388 -0.722 20 0 CBADMP OCC[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H](O)C[NH+]1CCCC1 ZINC000934257053 659791428 /nfs/dbraw/zinc/79/14/28/659791428.db2.gz GAAMHZSHLJZISI-ARFHVFGLSA-N 2 1 297.443 -0.026 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000991725339 659843374 /nfs/dbraw/zinc/84/33/74/659843374.db2.gz ZHNSLHGAOXATBL-NEPJUHHUSA-N 2 1 294.399 -0.783 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000991725339 659843377 /nfs/dbraw/zinc/84/33/77/659843377.db2.gz ZHNSLHGAOXATBL-NEPJUHHUSA-N 2 1 294.399 -0.783 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991725339 659843378 /nfs/dbraw/zinc/84/33/78/659843378.db2.gz ZHNSLHGAOXATBL-NEPJUHHUSA-N 2 1 294.399 -0.783 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CC(N)=O)CC3)C1 ZINC000992474932 659857522 /nfs/dbraw/zinc/85/75/22/659857522.db2.gz IXTVQSCQDUFVLR-SLEUVZQESA-N 2 1 294.399 -0.463 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CC(N)=O)CC3)C1 ZINC000992474932 659857523 /nfs/dbraw/zinc/85/75/23/659857523.db2.gz IXTVQSCQDUFVLR-SLEUVZQESA-N 2 1 294.399 -0.463 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)C1 ZINC000992474932 659857524 /nfs/dbraw/zinc/85/75/24/659857524.db2.gz IXTVQSCQDUFVLR-SLEUVZQESA-N 2 1 294.399 -0.463 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)C1 ZINC000992474932 659857525 /nfs/dbraw/zinc/85/75/25/659857525.db2.gz IXTVQSCQDUFVLR-SLEUVZQESA-N 2 1 294.399 -0.463 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000995552351 659902734 /nfs/dbraw/zinc/90/27/34/659902734.db2.gz QOHWLTSJGBTSQE-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996046140 659921925 /nfs/dbraw/zinc/92/19/25/659921925.db2.gz ZTFCBGTWGIFGKG-LLVKDONJSA-N 2 1 293.371 -0.497 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943214 659938976 /nfs/dbraw/zinc/93/89/76/659938976.db2.gz GDQWEZFVIWMPGZ-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943214 659938977 /nfs/dbraw/zinc/93/89/77/659938977.db2.gz GDQWEZFVIWMPGZ-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(N)=O ZINC000948038770 659964292 /nfs/dbraw/zinc/96/42/92/659964292.db2.gz BIXNFVZNRXOCGQ-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(N)=O ZINC000948038770 659964295 /nfs/dbraw/zinc/96/42/95/659964295.db2.gz BIXNFVZNRXOCGQ-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)Cn2ccnc2)CC[N@@H+]1CC(N)=O ZINC000948089293 659965469 /nfs/dbraw/zinc/96/54/69/659965469.db2.gz BUJWBNNHYXSZHI-QWRGUYRKSA-N 2 1 279.344 -0.663 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)Cn2ccnc2)CC[N@H+]1CC(N)=O ZINC000948089293 659965472 /nfs/dbraw/zinc/96/54/72/659965472.db2.gz BUJWBNNHYXSZHI-QWRGUYRKSA-N 2 1 279.344 -0.663 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)Cn2ccnc2)CC[N@H+]1CCO ZINC000948090247 659965556 /nfs/dbraw/zinc/96/55/56/659965556.db2.gz HNDBSDZIFQDBRW-RYUDHWBXSA-N 2 1 266.345 -0.156 20 0 CBADMP C[NH+]1CCN(c2nccc(N3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)n2)CC1 ZINC001164439925 718986790 /nfs/dbraw/zinc/98/67/90/718986790.db2.gz HMUWAMSUMOAWPS-PJXYFTJBSA-N 2 1 274.372 -0.378 20 0 CBADMP C[N@H+]1CCO[C@H]2CN(c3ncc4c(n3)C[NH2+]C4)C[C@H]21 ZINC001164669298 719392883 /nfs/dbraw/zinc/39/28/83/719392883.db2.gz UQWDXODHOLNGHW-NEPJUHHUSA-N 2 1 261.329 -0.401 20 0 CBADMP C[N@H+]1CCO[C@@H]2CN(c3cc(C4C[NH2+]C4)ncn3)C[C@@H]21 ZINC001164667088 719490102 /nfs/dbraw/zinc/49/01/02/719490102.db2.gz ISSWOHCDZNXEAV-QWHCGFSZSA-N 2 1 275.356 -0.317 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076567678 805580958 /nfs/dbraw/zinc/58/09/58/805580958.db2.gz FBSUTPJPVKMBRO-YNEHKIRRSA-N 2 1 294.399 -0.783 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076567678 805580963 /nfs/dbraw/zinc/58/09/63/805580963.db2.gz FBSUTPJPVKMBRO-YNEHKIRRSA-N 2 1 294.399 -0.783 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076567678 805580970 /nfs/dbraw/zinc/58/09/70/805580970.db2.gz FBSUTPJPVKMBRO-YNEHKIRRSA-N 2 1 294.399 -0.783 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076567678 805580980 /nfs/dbraw/zinc/58/09/80/805580980.db2.gz FBSUTPJPVKMBRO-YNEHKIRRSA-N 2 1 294.399 -0.783 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001076588004 805583487 /nfs/dbraw/zinc/58/34/87/805583487.db2.gz IGFLFHUJFIKPPS-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001147892091 814924142 /nfs/dbraw/zinc/92/41/42/814924142.db2.gz HZGNUPPDQHWEGP-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000048946392 790334215 /nfs/dbraw/zinc/33/42/15/790334215.db2.gz IAKSRUHOJIAZOQ-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC000063527834 790341955 /nfs/dbraw/zinc/34/19/55/790341955.db2.gz DHOSVYISPRAYQU-LBPRGKRZSA-N 2 1 293.371 -0.740 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091311240 790371671 /nfs/dbraw/zinc/37/16/71/790371671.db2.gz AHRWEYQNEFIIBO-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000172750147 790413765 /nfs/dbraw/zinc/41/37/65/790413765.db2.gz YXLIRYMHXMFMIA-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000172750147 790413771 /nfs/dbraw/zinc/41/37/71/790413771.db2.gz YXLIRYMHXMFMIA-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000250551614 790449401 /nfs/dbraw/zinc/44/94/01/790449401.db2.gz AHRWEYQNEFIIBO-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000250551612 790449501 /nfs/dbraw/zinc/44/95/01/790449501.db2.gz AHRWEYQNEFIIBO-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP C[NH2+][C@H](C(=O)NCC[NH+]1CCCC1)c1cnn(C)c1 ZINC000262495618 790453267 /nfs/dbraw/zinc/45/32/67/790453267.db2.gz IDTQKLHOPLZGAZ-LBPRGKRZSA-N 2 1 265.361 -0.107 20 0 CBADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000381001087 790515798 /nfs/dbraw/zinc/51/57/98/790515798.db2.gz LBRHXEBMBMITPP-HUUCEWRRSA-N 3 1 282.432 -0.577 20 0 CBADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000381001087 790515812 /nfs/dbraw/zinc/51/58/12/790515812.db2.gz LBRHXEBMBMITPP-HUUCEWRRSA-N 3 1 282.432 -0.577 20 0 CBADMP O[C@H](CN1CCCC1)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000381001087 790515826 /nfs/dbraw/zinc/51/58/26/790515826.db2.gz LBRHXEBMBMITPP-HUUCEWRRSA-N 2 1 282.432 -0.577 20 0 CBADMP O[C@H](CN1CCCC1)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000381001087 790515836 /nfs/dbraw/zinc/51/58/36/790515836.db2.gz LBRHXEBMBMITPP-HUUCEWRRSA-N 2 1 282.432 -0.577 20 0 CBADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000381001086 790516627 /nfs/dbraw/zinc/51/66/27/790516627.db2.gz LBRHXEBMBMITPP-GJZGRUSLSA-N 3 1 282.432 -0.577 20 0 CBADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000381001086 790516637 /nfs/dbraw/zinc/51/66/37/790516637.db2.gz LBRHXEBMBMITPP-GJZGRUSLSA-N 3 1 282.432 -0.577 20 0 CBADMP O[C@@H](CN1CCCC1)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000381001086 790516652 /nfs/dbraw/zinc/51/66/52/790516652.db2.gz LBRHXEBMBMITPP-GJZGRUSLSA-N 2 1 282.432 -0.577 20 0 CBADMP O[C@@H](CN1CCCC1)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000381001086 790516663 /nfs/dbraw/zinc/51/66/63/790516663.db2.gz LBRHXEBMBMITPP-GJZGRUSLSA-N 2 1 282.432 -0.577 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C[C@H](O)C[N@@H+](C)CCOC ZINC000381340203 790518961 /nfs/dbraw/zinc/51/89/61/790518961.db2.gz KJTSVJQOXIBTSX-QWHCGFSZSA-N 2 1 259.394 -0.391 20 0 CBADMP 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 790517769 /nfs/dbraw/zinc/51/77/69/790517769.db2.gz BWWXRXAWVXXHHE-UJOWSUJOSA-N 2 1 264.417 -0.182 20 0 CBADMP C[NH2+]C1CCN(C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000385251258 790540669 /nfs/dbraw/zinc/54/06/69/790540669.db2.gz QYQVJUJGQGTKJA-ZDUSSCGKSA-N 2 1 259.394 -0.391 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000386169629 790545304 /nfs/dbraw/zinc/54/53/04/790545304.db2.gz CXEPAYXEZHTMIF-KBPBESRZSA-N 2 1 298.431 -0.770 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000386169629 790545311 /nfs/dbraw/zinc/54/53/11/790545311.db2.gz CXEPAYXEZHTMIF-KBPBESRZSA-N 2 1 298.431 -0.770 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000386169629 790545319 /nfs/dbraw/zinc/54/53/19/790545319.db2.gz CXEPAYXEZHTMIF-KBPBESRZSA-N 2 1 298.431 -0.770 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000386169629 790545325 /nfs/dbraw/zinc/54/53/25/790545325.db2.gz CXEPAYXEZHTMIF-KBPBESRZSA-N 2 1 298.431 -0.770 20 0 CBADMP C[NH2+][C@@H]1CCCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000386061923 790546663 /nfs/dbraw/zinc/54/66/63/790546663.db2.gz DQOBIUIXHMUMJI-CHWSQXEVSA-N 2 1 259.394 -0.391 20 0 CBADMP [NH3+][C@H](CC(F)F)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000388339985 790554959 /nfs/dbraw/zinc/55/49/59/790554959.db2.gz WRQZBCRFJZLZQM-LPEHRKFASA-N 2 1 277.315 -0.052 20 0 CBADMP COC[C@]1(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000387009187 790552007 /nfs/dbraw/zinc/55/20/07/790552007.db2.gz XTWPGUNWOFBBKU-IPYPFGDCSA-N 2 1 297.399 -0.408 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000388673178 790559934 /nfs/dbraw/zinc/55/99/34/790559934.db2.gz CXMZZMLKCLEPAY-IHRRRGAJSA-N 2 1 273.421 -0.015 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]([NH+](C)C)[C@H]1C ZINC000389242277 790560338 /nfs/dbraw/zinc/56/03/38/790560338.db2.gz BTAYFZDMKDOORN-RDBSUJKOSA-N 2 1 273.421 -0.050 20 0 CBADMP CNC(=O)C[NH+]1CCC(N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000392800527 790567866 /nfs/dbraw/zinc/56/78/66/790567866.db2.gz QBUSYNYCYFURIA-LTDJIEQWSA-N 2 1 292.427 -0.217 20 0 CBADMP C[NH2+]C[C@H]1CCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000394077091 790576644 /nfs/dbraw/zinc/57/66/44/790576644.db2.gz CERBTPCEUXCQPT-CHWSQXEVSA-N 2 1 259.394 -0.533 20 0 CBADMP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394393515 790577206 /nfs/dbraw/zinc/57/72/06/790577206.db2.gz ZKGGVFWFIHGNCU-YPMHNXCESA-N 2 1 266.389 -0.367 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCN2CCOC2=O)C1 ZINC000403184926 790611976 /nfs/dbraw/zinc/61/19/76/790611976.db2.gz RRVBKQIITJNSKI-NSHDSACASA-N 2 1 284.360 -0.775 20 0 CBADMP CCO[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@H]1C[NH3+] ZINC000405520701 790618297 /nfs/dbraw/zinc/61/82/97/790618297.db2.gz IZSOJEHTEIOHFC-FRRDWIJNSA-N 2 1 276.377 -0.694 20 0 CBADMP [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000693575441 790682244 /nfs/dbraw/zinc/68/22/44/790682244.db2.gz VXHVRVIMJTWQQZ-FIQHERPVSA-N 2 1 253.346 -0.297 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000695077030 790687556 /nfs/dbraw/zinc/68/75/56/790687556.db2.gz MYWZTHQMUBOGHN-GHMZBOCLSA-N 2 1 261.391 -0.309 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000695077030 790687561 /nfs/dbraw/zinc/68/75/61/790687561.db2.gz MYWZTHQMUBOGHN-GHMZBOCLSA-N 2 1 261.391 -0.309 20 0 CBADMP C[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1C[NH3+] ZINC000695129191 790687054 /nfs/dbraw/zinc/68/70/54/790687054.db2.gz GYJLQTZCOAFVPA-NEPJUHHUSA-N 2 1 275.418 -0.061 20 0 CBADMP C[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1C[NH3+] ZINC000695129191 790687057 /nfs/dbraw/zinc/68/70/57/790687057.db2.gz GYJLQTZCOAFVPA-NEPJUHHUSA-N 2 1 275.418 -0.061 20 0 CBADMP C[C@]1(CO)C[C@H](O)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000698176788 790696388 /nfs/dbraw/zinc/69/63/88/790696388.db2.gz AOCODDUHDWRBCA-RWMBFGLXSA-N 2 1 258.362 -0.739 20 0 CBADMP C[C@]1(CO)C[C@H](O)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000698176788 790696394 /nfs/dbraw/zinc/69/63/94/790696394.db2.gz AOCODDUHDWRBCA-RWMBFGLXSA-N 2 1 258.362 -0.739 20 0 CBADMP C[C@@H](C[NH3+])C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000701653180 790719410 /nfs/dbraw/zinc/71/94/10/790719410.db2.gz DQJCIUSKFKIYMB-JTQLQIEISA-N 2 1 263.407 -0.063 20 0 CBADMP C[N@@H+](C[C@@H](O)CNC[C@@]1(O)CC[NH+](C)C1)C1CC1 ZINC000702561639 790721443 /nfs/dbraw/zinc/72/14/43/790721443.db2.gz JHVGNCRZEOECGV-STQMWFEESA-N 2 1 257.378 -0.902 20 0 CBADMP C[NH+](C[C@@H](O)CNC[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000702561639 790721446 /nfs/dbraw/zinc/72/14/46/790721446.db2.gz JHVGNCRZEOECGV-STQMWFEESA-N 2 1 257.378 -0.902 20 0 CBADMP C[NH+](C[C@@H](O)CNC[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000702561639 790721450 /nfs/dbraw/zinc/72/14/50/790721450.db2.gz JHVGNCRZEOECGV-STQMWFEESA-N 2 1 257.378 -0.902 20 0 CBADMP CC(C)COC[C@H](O)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702571151 790722054 /nfs/dbraw/zinc/72/20/54/790722054.db2.gz WLMXCYYAYJWYRA-OLZOCXBDSA-N 2 1 260.378 -0.324 20 0 CBADMP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000711246696 790744415 /nfs/dbraw/zinc/74/44/15/790744415.db2.gz AMCKYJJQLPVUTD-OLZOCXBDSA-N 2 1 280.416 -0.262 20 0 CBADMP C[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@H]1CC[NH3+] ZINC000723902324 790802245 /nfs/dbraw/zinc/80/22/45/790802245.db2.gz VGSPXOYTLMWVCT-GHMZBOCLSA-N 2 1 263.407 -0.206 20 0 CBADMP COC[C@H](C)OC[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723844230 790802518 /nfs/dbraw/zinc/80/25/18/790802518.db2.gz LRUFLFYXMKNFLH-XQHKEYJVSA-N 2 1 260.378 -0.075 20 0 CBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723886908 790802575 /nfs/dbraw/zinc/80/25/75/790802575.db2.gz NUHIWGFFTXWHEZ-NXEZZACHSA-N 2 1 256.350 -0.251 20 0 CBADMP CN(C)c1nc(N)nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000723678438 790803067 /nfs/dbraw/zinc/80/30/67/790803067.db2.gz QJFPUXWHTPKWFG-VIFPVBQESA-N 2 1 265.365 -0.310 20 0 CBADMP CN(C)c1nc(N)nc(C[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000723678438 790803080 /nfs/dbraw/zinc/80/30/80/790803080.db2.gz QJFPUXWHTPKWFG-VIFPVBQESA-N 2 1 265.365 -0.310 20 0 CBADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000724152661 790805249 /nfs/dbraw/zinc/80/52/49/790805249.db2.gz MKAQSXGLIJWZFY-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724599515 790806940 /nfs/dbraw/zinc/80/69/40/790806940.db2.gz LBDKWDIBKOMJFH-RWMBFGLXSA-N 2 1 258.362 -0.042 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724599509 790807378 /nfs/dbraw/zinc/80/73/78/790807378.db2.gz LBDKWDIBKOMJFH-AGIUHOORSA-N 2 1 258.362 -0.042 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000823828940 790854689 /nfs/dbraw/zinc/85/46/89/790854689.db2.gz ODHUJTMJQYVMRT-WDEREUQCSA-N 2 1 268.361 -0.284 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000823828940 790854702 /nfs/dbraw/zinc/85/47/02/790854702.db2.gz ODHUJTMJQYVMRT-WDEREUQCSA-N 2 1 268.361 -0.284 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000823828940 790854715 /nfs/dbraw/zinc/85/47/15/790854715.db2.gz ODHUJTMJQYVMRT-WDEREUQCSA-N 2 1 268.361 -0.284 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000828636244 790882245 /nfs/dbraw/zinc/88/22/45/790882245.db2.gz NXOHCGYJHBWGDO-NQBHXWOUSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000828636244 790882260 /nfs/dbraw/zinc/88/22/60/790882260.db2.gz NXOHCGYJHBWGDO-NQBHXWOUSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000828636244 790882271 /nfs/dbraw/zinc/88/22/71/790882271.db2.gz NXOHCGYJHBWGDO-NQBHXWOUSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000828636244 790882278 /nfs/dbraw/zinc/88/22/78/790882278.db2.gz NXOHCGYJHBWGDO-NQBHXWOUSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000828636243 790882338 /nfs/dbraw/zinc/88/23/38/790882338.db2.gz NXOHCGYJHBWGDO-MDZLAQPJSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000828636243 790882353 /nfs/dbraw/zinc/88/23/53/790882353.db2.gz NXOHCGYJHBWGDO-MDZLAQPJSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000828636243 790882362 /nfs/dbraw/zinc/88/23/62/790882362.db2.gz NXOHCGYJHBWGDO-MDZLAQPJSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000828636243 790882371 /nfs/dbraw/zinc/88/23/71/790882371.db2.gz NXOHCGYJHBWGDO-MDZLAQPJSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000828636246 790882530 /nfs/dbraw/zinc/88/25/30/790882530.db2.gz NXOHCGYJHBWGDO-WZRBSPASSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000828636246 790882540 /nfs/dbraw/zinc/88/25/40/790882540.db2.gz NXOHCGYJHBWGDO-WZRBSPASSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000828636246 790882551 /nfs/dbraw/zinc/88/25/51/790882551.db2.gz NXOHCGYJHBWGDO-WZRBSPASSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000828636246 790882562 /nfs/dbraw/zinc/88/25/62/790882562.db2.gz NXOHCGYJHBWGDO-WZRBSPASSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000890062391 790908283 /nfs/dbraw/zinc/90/82/83/790908283.db2.gz SMLRJFPHXDFCIE-STQMWFEESA-N 2 1 284.404 -0.211 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000890062391 790908293 /nfs/dbraw/zinc/90/82/93/790908293.db2.gz SMLRJFPHXDFCIE-STQMWFEESA-N 2 1 284.404 -0.211 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CC[N@H+](C)CCO ZINC000912598035 790914280 /nfs/dbraw/zinc/91/42/80/790914280.db2.gz BHBZTECKDXAOFS-UHFFFAOYSA-N 2 1 254.334 -0.426 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CC[N@@H+](C)CCO ZINC000912598035 790914290 /nfs/dbraw/zinc/91/42/90/790914290.db2.gz BHBZTECKDXAOFS-UHFFFAOYSA-N 2 1 254.334 -0.426 20 0 CBADMP CN(CCC[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2)S(C)(=O)=O ZINC000924654564 790926012 /nfs/dbraw/zinc/92/60/12/790926012.db2.gz ULYKDAPPLFGHMD-RYUDHWBXSA-N 2 1 275.418 -0.048 20 0 CBADMP CN(CCC[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2)S(C)(=O)=O ZINC000924654564 790926016 /nfs/dbraw/zinc/92/60/16/790926016.db2.gz ULYKDAPPLFGHMD-RYUDHWBXSA-N 2 1 275.418 -0.048 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001021896451 790965655 /nfs/dbraw/zinc/96/56/55/790965655.db2.gz ZUCGNRIHGFBDDS-TUAOUCFPSA-N 2 1 292.387 -0.354 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001021897562 790967252 /nfs/dbraw/zinc/96/72/52/790967252.db2.gz MRFUCULHEOQVPX-RNJOBUHISA-N 2 1 294.399 -0.404 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001021897564 790967281 /nfs/dbraw/zinc/96/72/81/790967281.db2.gz MRFUCULHEOQVPX-YVECIDJPSA-N 2 1 294.399 -0.404 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001021906641 790968444 /nfs/dbraw/zinc/96/84/44/790968444.db2.gz UCFOSCJQYJIXHC-KXNHARMFSA-N 2 1 282.388 -0.419 20 0 CBADMP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC001021904640 790969603 /nfs/dbraw/zinc/96/96/03/790969603.db2.gz BDZOFGSZWNFJPA-GRYCIOLGSA-N 2 1 292.387 -0.056 20 0 CBADMP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001021928742 790971277 /nfs/dbraw/zinc/97/12/77/790971277.db2.gz SCABDOHHCAVWDZ-GRYCIOLGSA-N 2 1 255.362 -0.038 20 0 CBADMP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001021928742 790971282 /nfs/dbraw/zinc/97/12/82/790971282.db2.gz SCABDOHHCAVWDZ-GRYCIOLGSA-N 2 1 255.362 -0.038 20 0 CBADMP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001021929562 790973218 /nfs/dbraw/zinc/97/32/18/790973218.db2.gz NPNQRLUWKSDMQQ-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001021929562 790973226 /nfs/dbraw/zinc/97/32/26/790973226.db2.gz NPNQRLUWKSDMQQ-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022292693 791002503 /nfs/dbraw/zinc/00/25/03/791002503.db2.gz PQZHVYBWOURILT-XQHKEYJVSA-N 2 1 294.399 -0.404 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022293941 791002586 /nfs/dbraw/zinc/00/25/86/791002586.db2.gz XTDKVLJFNOWJNS-GRYCIOLGSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001022341828 791007364 /nfs/dbraw/zinc/00/73/64/791007364.db2.gz OFHNGYHZRANANB-GARJFASQSA-N 2 1 296.371 -0.033 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022437603 791014019 /nfs/dbraw/zinc/01/40/19/791014019.db2.gz SJNBUTWXNXHNAN-GRYCIOLGSA-N 2 1 291.355 -0.683 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1)C(N)=O ZINC001022436252 791014060 /nfs/dbraw/zinc/01/40/60/791014060.db2.gz JAPVQLKNEUWHIU-GRYCIOLGSA-N 2 1 293.371 -0.308 20 0 CBADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022440122 791015105 /nfs/dbraw/zinc/01/51/05/791015105.db2.gz IKTJNLSZKYRWGU-TXEJJXNPSA-N 2 1 292.383 -0.009 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001022593126 791028398 /nfs/dbraw/zinc/02/83/98/791028398.db2.gz IHSUQOZZMOVWST-YIYPIFLZSA-N 2 1 299.415 -0.287 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001022593126 791028411 /nfs/dbraw/zinc/02/84/11/791028411.db2.gz IHSUQOZZMOVWST-YIYPIFLZSA-N 2 1 299.415 -0.287 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001022596018 791029836 /nfs/dbraw/zinc/02/98/36/791029836.db2.gz FQLXBXARMRKDLK-FIQHERPVSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001022716485 791042435 /nfs/dbraw/zinc/04/24/35/791042435.db2.gz XTMUOYFIAFKVPT-RVMXOQNASA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022712261 791040703 /nfs/dbraw/zinc/04/07/03/791040703.db2.gz NYHUSIFMLVDZPA-GARJFASQSA-N 2 1 268.361 -0.807 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)C(N)=O ZINC001022712252 791041908 /nfs/dbraw/zinc/04/19/08/791041908.db2.gz NNWHXSVFUYXVPQ-FIQHERPVSA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022712761 791042023 /nfs/dbraw/zinc/04/20/23/791042023.db2.gz ZDWGBZMWXGMFFY-WUHRBBMRSA-N 2 1 294.399 -0.404 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001076987145 805669405 /nfs/dbraw/zinc/66/94/05/805669405.db2.gz DNEOUVJFJAZPMV-MGPQQGTHSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001076987145 805669408 /nfs/dbraw/zinc/66/94/08/805669408.db2.gz DNEOUVJFJAZPMV-MGPQQGTHSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001076987145 805669412 /nfs/dbraw/zinc/66/94/12/805669412.db2.gz DNEOUVJFJAZPMV-MGPQQGTHSA-N 2 1 299.415 -0.597 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077004303 805670602 /nfs/dbraw/zinc/67/06/02/805670602.db2.gz XTRNWJILSURUJN-MGPQQGTHSA-N 2 1 297.399 -0.864 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014160 805673472 /nfs/dbraw/zinc/67/34/72/805673472.db2.gz GMTVSBKJPGUEHC-CHWSQXEVSA-N 2 1 295.387 -0.761 20 0 CBADMP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077222360 805701847 /nfs/dbraw/zinc/70/18/47/805701847.db2.gz HVLSSYDJKQFMMC-AAVRWANBSA-N 2 1 299.415 -0.477 20 0 CBADMP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077222360 805701852 /nfs/dbraw/zinc/70/18/52/805701852.db2.gz HVLSSYDJKQFMMC-AAVRWANBSA-N 2 1 299.415 -0.477 20 0 CBADMP CC(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001077222360 805701858 /nfs/dbraw/zinc/70/18/58/805701858.db2.gz HVLSSYDJKQFMMC-AAVRWANBSA-N 2 1 299.415 -0.477 20 0 CBADMP CC(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001077222360 805701864 /nfs/dbraw/zinc/70/18/64/805701864.db2.gz HVLSSYDJKQFMMC-AAVRWANBSA-N 2 1 299.415 -0.477 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)c1nncn1C ZINC001147886285 814924439 /nfs/dbraw/zinc/92/44/39/814924439.db2.gz SZMXOYIYNRHZBZ-RYUDHWBXSA-N 2 1 294.403 -0.076 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1nncn1C ZINC001147886285 814924441 /nfs/dbraw/zinc/92/44/41/814924441.db2.gz SZMXOYIYNRHZBZ-RYUDHWBXSA-N 2 1 294.403 -0.076 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)COCC[NH+](C)C)nn1 ZINC001147891561 814924718 /nfs/dbraw/zinc/92/47/18/814924718.db2.gz CRTMIJCSJKDRTA-UHFFFAOYSA-N 2 1 298.391 -0.918 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675199 805764247 /nfs/dbraw/zinc/76/42/47/805764247.db2.gz FDCFXRPEPBAKAA-QJPTWQEYSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001077675199 805764251 /nfs/dbraw/zinc/76/42/51/805764251.db2.gz FDCFXRPEPBAKAA-QJPTWQEYSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001077675199 805764256 /nfs/dbraw/zinc/76/42/56/805764256.db2.gz FDCFXRPEPBAKAA-QJPTWQEYSA-N 2 1 255.362 -0.348 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077680512 805768889 /nfs/dbraw/zinc/76/88/89/805768889.db2.gz KOYAXWFXTYOIGW-JHJVBQTASA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001077680512 805768893 /nfs/dbraw/zinc/76/88/93/805768893.db2.gz KOYAXWFXTYOIGW-JHJVBQTASA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001077680512 805768896 /nfs/dbraw/zinc/76/88/96/805768896.db2.gz KOYAXWFXTYOIGW-JHJVBQTASA-N 2 1 269.389 -0.102 20 0 CBADMP CN1CC[C@H]([NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001147892968 814925339 /nfs/dbraw/zinc/92/53/39/814925339.db2.gz MMZJAJAZYMJEGG-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078006663 805823450 /nfs/dbraw/zinc/82/34/50/805823450.db2.gz AWHFZBJTGNEHEZ-QJPTWQEYSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078006663 805823458 /nfs/dbraw/zinc/82/34/58/805823458.db2.gz AWHFZBJTGNEHEZ-QJPTWQEYSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078006663 805823468 /nfs/dbraw/zinc/82/34/68/805823468.db2.gz AWHFZBJTGNEHEZ-QJPTWQEYSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012047 805823507 /nfs/dbraw/zinc/82/35/07/805823507.db2.gz SMFKOZPFTOZWQT-GHMZBOCLSA-N 2 1 253.346 -0.737 20 0 CBADMP C[C@@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011707 805824504 /nfs/dbraw/zinc/82/45/04/805824504.db2.gz CPDJPPICVSDLAS-JHJVBQTASA-N 2 1 299.390 -0.008 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CCCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013115 805822202 /nfs/dbraw/zinc/82/22/02/805822202.db2.gz RRFJZOFIAYVZFV-VXGBXAGGSA-N 2 1 285.363 -0.397 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001078179174 805853511 /nfs/dbraw/zinc/85/35/11/805853511.db2.gz WZXCRCXQCYRWHB-CHWSQXEVSA-N 2 1 267.373 -0.347 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001078179174 805853519 /nfs/dbraw/zinc/85/35/19/805853519.db2.gz WZXCRCXQCYRWHB-CHWSQXEVSA-N 2 1 267.373 -0.347 20 0 CBADMP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079527740 805922474 /nfs/dbraw/zinc/92/24/74/805922474.db2.gz CQJKFPXZOWFVIO-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079527740 805922481 /nfs/dbraw/zinc/92/24/81/805922481.db2.gz CQJKFPXZOWFVIO-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079527740 805922489 /nfs/dbraw/zinc/92/24/89/805922489.db2.gz CQJKFPXZOWFVIO-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079527740 805922493 /nfs/dbraw/zinc/92/24/93/805922493.db2.gz CQJKFPXZOWFVIO-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001147900682 814926691 /nfs/dbraw/zinc/92/66/91/814926691.db2.gz UIULCHPYVGBVPP-NWDGAFQWSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079965423 805953712 /nfs/dbraw/zinc/95/37/12/805953712.db2.gz IQLYPORHJWUYFZ-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079965423 805953720 /nfs/dbraw/zinc/95/37/20/805953720.db2.gz IQLYPORHJWUYFZ-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001079965423 805953725 /nfs/dbraw/zinc/95/37/25/805953725.db2.gz IQLYPORHJWUYFZ-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001079965423 805953733 /nfs/dbraw/zinc/95/37/33/805953733.db2.gz IQLYPORHJWUYFZ-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001147971279 814927875 /nfs/dbraw/zinc/92/78/75/814927875.db2.gz ZAQCTLFWAIQCMX-UHFFFAOYSA-N 2 1 277.372 -0.278 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080781238 806009240 /nfs/dbraw/zinc/00/92/40/806009240.db2.gz SLPMHDFNRQLXJX-GRYCIOLGSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080781238 806009254 /nfs/dbraw/zinc/00/92/54/806009254.db2.gz SLPMHDFNRQLXJX-GRYCIOLGSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080781238 806009262 /nfs/dbraw/zinc/00/92/62/806009262.db2.gz SLPMHDFNRQLXJX-GRYCIOLGSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080781238 806009273 /nfs/dbraw/zinc/00/92/73/806009273.db2.gz SLPMHDFNRQLXJX-GRYCIOLGSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080940040 806017960 /nfs/dbraw/zinc/01/79/60/806017960.db2.gz VBPIHGIIFILKAS-IJLUTSLNSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080940040 806017971 /nfs/dbraw/zinc/01/79/71/806017971.db2.gz VBPIHGIIFILKAS-IJLUTSLNSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080940040 806017977 /nfs/dbraw/zinc/01/79/77/806017977.db2.gz VBPIHGIIFILKAS-IJLUTSLNSA-N 2 1 255.362 -0.633 20 0 CBADMP CO[C@@H]1C[N@H+](CC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481907 806088933 /nfs/dbraw/zinc/08/89/33/806088933.db2.gz ZYFGBAMHWHKUHO-MCIONIFRSA-N 2 1 299.415 -0.212 20 0 CBADMP CO[C@@H]1C[N@@H+](CC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481907 806088942 /nfs/dbraw/zinc/08/89/42/806088942.db2.gz ZYFGBAMHWHKUHO-MCIONIFRSA-N 2 1 299.415 -0.212 20 0 CBADMP CO[C@@H]1C[NH+](CC(C)C)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481907 806088951 /nfs/dbraw/zinc/08/89/51/806088951.db2.gz ZYFGBAMHWHKUHO-MCIONIFRSA-N 2 1 299.415 -0.212 20 0 CBADMP CO[C@@H]1C[NH+](CC(C)C)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481907 806088959 /nfs/dbraw/zinc/08/89/59/806088959.db2.gz ZYFGBAMHWHKUHO-MCIONIFRSA-N 2 1 299.415 -0.212 20 0 CBADMP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001081659239 806112820 /nfs/dbraw/zinc/11/28/20/806112820.db2.gz SKJBIZOZILWFHI-MGPQQGTHSA-N 2 1 299.415 -0.333 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001081659239 806112823 /nfs/dbraw/zinc/11/28/23/806112823.db2.gz SKJBIZOZILWFHI-MGPQQGTHSA-N 2 1 299.415 -0.333 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001081659239 806112826 /nfs/dbraw/zinc/11/28/26/806112826.db2.gz SKJBIZOZILWFHI-MGPQQGTHSA-N 2 1 299.415 -0.333 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001081659239 806112830 /nfs/dbraw/zinc/11/28/30/806112830.db2.gz SKJBIZOZILWFHI-MGPQQGTHSA-N 2 1 299.415 -0.333 20 0 CBADMP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082020023 806138816 /nfs/dbraw/zinc/13/88/16/806138816.db2.gz YYVSDHICQADBIH-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082020023 806138822 /nfs/dbraw/zinc/13/88/22/806138822.db2.gz YYVSDHICQADBIH-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066472 806142540 /nfs/dbraw/zinc/14/25/40/806142540.db2.gz TYAPFGCCGVDSEN-IGQOVBAYSA-N 2 1 299.415 -0.476 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001082066472 806142548 /nfs/dbraw/zinc/14/25/48/806142548.db2.gz TYAPFGCCGVDSEN-IGQOVBAYSA-N 2 1 299.415 -0.476 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001082066472 806142555 /nfs/dbraw/zinc/14/25/55/806142555.db2.gz TYAPFGCCGVDSEN-IGQOVBAYSA-N 2 1 299.415 -0.476 20 0 CBADMP COCCN1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082133872 806148559 /nfs/dbraw/zinc/14/85/59/806148559.db2.gz UANGGCVCVLLVAR-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082133872 806148565 /nfs/dbraw/zinc/14/85/65/806148565.db2.gz UANGGCVCVLLVAR-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082133872 806148571 /nfs/dbraw/zinc/14/85/71/806148571.db2.gz UANGGCVCVLLVAR-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082133872 806148585 /nfs/dbraw/zinc/14/85/85/806148585.db2.gz UANGGCVCVLLVAR-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CCO ZINC001082596637 806186387 /nfs/dbraw/zinc/18/63/87/806186387.db2.gz TZJYPDCWIBURGL-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274761 806245757 /nfs/dbraw/zinc/24/57/57/806245757.db2.gz YPHYEVYZMNHDRD-MELADBBJSA-N 2 1 297.399 -0.504 20 0 CBADMP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083274761 806245761 /nfs/dbraw/zinc/24/57/61/806245761.db2.gz YPHYEVYZMNHDRD-MELADBBJSA-N 2 1 297.399 -0.504 20 0 CBADMP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083274761 806245765 /nfs/dbraw/zinc/24/57/65/806245765.db2.gz YPHYEVYZMNHDRD-MELADBBJSA-N 2 1 297.399 -0.504 20 0 CBADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385640 806296312 /nfs/dbraw/zinc/29/63/12/806296312.db2.gz UIAXSTITFZBZRY-RDBSUJKOSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385640 806296315 /nfs/dbraw/zinc/29/63/15/806296315.db2.gz UIAXSTITFZBZRY-RDBSUJKOSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385640 806296323 /nfs/dbraw/zinc/29/63/23/806296323.db2.gz UIAXSTITFZBZRY-RDBSUJKOSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385640 806296329 /nfs/dbraw/zinc/29/63/29/806296329.db2.gz UIAXSTITFZBZRY-RDBSUJKOSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083455478 806331707 /nfs/dbraw/zinc/33/17/07/806331707.db2.gz FLTGABRNVFTNQV-UPJWGTAASA-N 2 1 285.388 -0.987 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083455478 806331717 /nfs/dbraw/zinc/33/17/17/806331717.db2.gz FLTGABRNVFTNQV-UPJWGTAASA-N 2 1 285.388 -0.987 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083455478 806331727 /nfs/dbraw/zinc/33/17/27/806331727.db2.gz FLTGABRNVFTNQV-UPJWGTAASA-N 2 1 285.388 -0.987 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083455478 806331736 /nfs/dbraw/zinc/33/17/36/806331736.db2.gz FLTGABRNVFTNQV-UPJWGTAASA-N 2 1 285.388 -0.987 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466478 806335458 /nfs/dbraw/zinc/33/54/58/806335458.db2.gz WCUYXAPYEKDIJA-MCIONIFRSA-N 2 1 281.400 -0.102 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001083668977 806395732 /nfs/dbraw/zinc/39/57/32/806395732.db2.gz OKRUENNVOQOLAK-HZSPNIEDSA-N 2 1 297.399 -0.986 20 0 CBADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001083668977 806395740 /nfs/dbraw/zinc/39/57/40/806395740.db2.gz OKRUENNVOQOLAK-HZSPNIEDSA-N 2 1 297.399 -0.986 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083719813 806414510 /nfs/dbraw/zinc/41/45/10/806414510.db2.gz XOCMOTYQGYFKDO-MJBXVCDLSA-N 2 1 299.415 -0.738 20 0 CBADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001083719813 806414515 /nfs/dbraw/zinc/41/45/15/806414515.db2.gz XOCMOTYQGYFKDO-MJBXVCDLSA-N 2 1 299.415 -0.738 20 0 CBADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001083719813 806414518 /nfs/dbraw/zinc/41/45/18/806414518.db2.gz XOCMOTYQGYFKDO-MJBXVCDLSA-N 2 1 299.415 -0.738 20 0 CBADMP CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723261 806415114 /nfs/dbraw/zinc/41/51/14/806415114.db2.gz BDFGFASWHCTDMM-RDBSUJKOSA-N 2 1 299.415 -0.335 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723261 806415130 /nfs/dbraw/zinc/41/51/30/806415130.db2.gz BDFGFASWHCTDMM-RDBSUJKOSA-N 2 1 299.415 -0.335 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723261 806415136 /nfs/dbraw/zinc/41/51/36/806415136.db2.gz BDFGFASWHCTDMM-RDBSUJKOSA-N 2 1 299.415 -0.335 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723261 806415142 /nfs/dbraw/zinc/41/51/42/806415142.db2.gz BDFGFASWHCTDMM-RDBSUJKOSA-N 2 1 299.415 -0.335 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781661 806432354 /nfs/dbraw/zinc/43/23/54/806432354.db2.gz QLMIEYRONKHGIZ-XQQFMLRXSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781661 806432357 /nfs/dbraw/zinc/43/23/57/806432357.db2.gz QLMIEYRONKHGIZ-XQQFMLRXSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781661 806432362 /nfs/dbraw/zinc/43/23/62/806432362.db2.gz QLMIEYRONKHGIZ-XQQFMLRXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781515 806432490 /nfs/dbraw/zinc/43/24/90/806432490.db2.gz KOYAXWFXTYOIGW-UPJWGTAASA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781515 806432493 /nfs/dbraw/zinc/43/24/93/806432493.db2.gz KOYAXWFXTYOIGW-UPJWGTAASA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781515 806432495 /nfs/dbraw/zinc/43/24/95/806432495.db2.gz KOYAXWFXTYOIGW-UPJWGTAASA-N 2 1 269.389 -0.102 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954650 806468222 /nfs/dbraw/zinc/46/82/22/806468222.db2.gz AWHFZBJTGNEHEZ-UTUOFQBUSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083954650 806468225 /nfs/dbraw/zinc/46/82/25/806468225.db2.gz AWHFZBJTGNEHEZ-UTUOFQBUSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083954650 806468229 /nfs/dbraw/zinc/46/82/29/806468229.db2.gz AWHFZBJTGNEHEZ-UTUOFQBUSA-N 2 1 255.362 -0.491 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958065 806469723 /nfs/dbraw/zinc/46/97/23/806469723.db2.gz XKLIIXOKFXVCMW-NEPJUHHUSA-N 2 1 267.373 -0.347 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958709 806470121 /nfs/dbraw/zinc/47/01/21/806470121.db2.gz RRFJZOFIAYVZFV-NEPJUHHUSA-N 2 1 285.363 -0.397 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@@H]2O)C1 ZINC001084053567 806481506 /nfs/dbraw/zinc/48/15/06/806481506.db2.gz CBRCKVONMKBQGQ-MCIONIFRSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2O)C1 ZINC001084053567 806481513 /nfs/dbraw/zinc/48/15/13/806481513.db2.gz CBRCKVONMKBQGQ-MCIONIFRSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2O)C1 ZINC001084053567 806481519 /nfs/dbraw/zinc/48/15/19/806481519.db2.gz CBRCKVONMKBQGQ-MCIONIFRSA-N 2 1 281.400 -0.101 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001084057679 806483204 /nfs/dbraw/zinc/48/32/04/806483204.db2.gz WZXCRCXQCYRWHB-OLZOCXBDSA-N 2 1 267.373 -0.347 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001084057679 806483210 /nfs/dbraw/zinc/48/32/10/806483210.db2.gz WZXCRCXQCYRWHB-OLZOCXBDSA-N 2 1 267.373 -0.347 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001084058160 806484269 /nfs/dbraw/zinc/48/42/69/806484269.db2.gz NCKBIJDKKAOPKC-MJBXVCDLSA-N 2 1 297.399 -0.720 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001084058160 806484270 /nfs/dbraw/zinc/48/42/70/806484270.db2.gz NCKBIJDKKAOPKC-MJBXVCDLSA-N 2 1 297.399 -0.720 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001084057513 806484881 /nfs/dbraw/zinc/48/48/81/806484881.db2.gz NNYQJXGTYNGZTH-NEPJUHHUSA-N 2 1 273.352 -0.397 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001084057513 806484888 /nfs/dbraw/zinc/48/48/88/806484888.db2.gz NNYQJXGTYNGZTH-NEPJUHHUSA-N 2 1 273.352 -0.397 20 0 CBADMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21)C1CCC1 ZINC001084409942 806517137 /nfs/dbraw/zinc/51/71/37/806517137.db2.gz PTVKVLGCBIJONB-TZMCWYRMSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21)C1CCC1 ZINC001084409942 806517141 /nfs/dbraw/zinc/51/71/41/806517141.db2.gz PTVKVLGCBIJONB-TZMCWYRMSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21)C1CCC1 ZINC001084409942 806517145 /nfs/dbraw/zinc/51/71/45/806517145.db2.gz PTVKVLGCBIJONB-TZMCWYRMSA-N 2 1 281.400 -0.004 20 0 CBADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21)[NH+](C)C ZINC001084668221 806531113 /nfs/dbraw/zinc/53/11/13/806531113.db2.gz NGGWZQNZHJSUQB-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084775627 806534471 /nfs/dbraw/zinc/53/44/71/806534471.db2.gz OIROAKRHAORQFJ-MGPQQGTHSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@H+](CCO)C[C@H]32)C1 ZINC001084775627 806534477 /nfs/dbraw/zinc/53/44/77/806534477.db2.gz OIROAKRHAORQFJ-MGPQQGTHSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)C1 ZINC001084775627 806534480 /nfs/dbraw/zinc/53/44/80/806534480.db2.gz OIROAKRHAORQFJ-MGPQQGTHSA-N 2 1 281.400 -0.147 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084775626 806535168 /nfs/dbraw/zinc/53/51/68/806535168.db2.gz OIROAKRHAORQFJ-BFHYXJOUSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@H+](CCO)C[C@H]32)C1 ZINC001084775626 806535171 /nfs/dbraw/zinc/53/51/71/806535171.db2.gz OIROAKRHAORQFJ-BFHYXJOUSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)C1 ZINC001084775626 806535174 /nfs/dbraw/zinc/53/51/74/806535174.db2.gz OIROAKRHAORQFJ-BFHYXJOUSA-N 2 1 281.400 -0.147 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1)[NH+](C)C ZINC001084970729 806542852 /nfs/dbraw/zinc/54/28/52/806542852.db2.gz RXPXRCNGVKHFOH-UPJWGTAASA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1)[NH+](C)C ZINC001084970729 806542860 /nfs/dbraw/zinc/54/28/60/806542860.db2.gz RXPXRCNGVKHFOH-UPJWGTAASA-N 2 1 296.415 -0.265 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085393796 806554603 /nfs/dbraw/zinc/55/46/03/806554603.db2.gz KTNZVSGTDLOGQK-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCO)C1 ZINC001085429370 806555371 /nfs/dbraw/zinc/55/53/71/806555371.db2.gz PJLZNCMXWKLTSK-MCIONIFRSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCO)C1 ZINC001085429370 806555374 /nfs/dbraw/zinc/55/53/74/806555374.db2.gz PJLZNCMXWKLTSK-MCIONIFRSA-N 2 1 299.415 -0.284 20 0 CBADMP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001085519848 806570059 /nfs/dbraw/zinc/57/00/59/806570059.db2.gz ZAZANMJTLOJFTI-NEPJUHHUSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001085519848 806570063 /nfs/dbraw/zinc/57/00/63/806570063.db2.gz ZAZANMJTLOJFTI-NEPJUHHUSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001085519848 806570071 /nfs/dbraw/zinc/57/00/71/806570071.db2.gz ZAZANMJTLOJFTI-NEPJUHHUSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001085519848 806570079 /nfs/dbraw/zinc/57/00/79/806570079.db2.gz ZAZANMJTLOJFTI-NEPJUHHUSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@H]1CCCC[NH+]1C ZINC001085673462 806591759 /nfs/dbraw/zinc/59/17/59/806591759.db2.gz XZZQPZWZWRLJMD-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@H]1CCCC[NH+]1C ZINC001085673462 806591763 /nfs/dbraw/zinc/59/17/63/806591763.db2.gz XZZQPZWZWRLJMD-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001085673462 806591767 /nfs/dbraw/zinc/59/17/67/806591767.db2.gz XZZQPZWZWRLJMD-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCO)C(=O)[C@H]1CCCC[N@H+]1C ZINC001085673462 806591772 /nfs/dbraw/zinc/59/17/72/806591772.db2.gz XZZQPZWZWRLJMD-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCO)O1 ZINC001085667971 806591981 /nfs/dbraw/zinc/59/19/81/806591981.db2.gz SDSAGFIRJKDWPF-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCO)O1 ZINC001085667971 806591987 /nfs/dbraw/zinc/59/19/87/806591987.db2.gz SDSAGFIRJKDWPF-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCCO)O1 ZINC001085667971 806591993 /nfs/dbraw/zinc/59/19/93/806591993.db2.gz SDSAGFIRJKDWPF-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCCO)O1 ZINC001085667971 806591999 /nfs/dbraw/zinc/59/19/99/806591999.db2.gz SDSAGFIRJKDWPF-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCO)O1 ZINC001085667970 806592652 /nfs/dbraw/zinc/59/26/52/806592652.db2.gz SDSAGFIRJKDWPF-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCO)O1 ZINC001085667970 806592659 /nfs/dbraw/zinc/59/26/59/806592659.db2.gz SDSAGFIRJKDWPF-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCO)O1 ZINC001085667970 806592666 /nfs/dbraw/zinc/59/26/66/806592666.db2.gz SDSAGFIRJKDWPF-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCCO)O1 ZINC001085667970 806592675 /nfs/dbraw/zinc/59/26/75/806592675.db2.gz SDSAGFIRJKDWPF-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927758 806622652 /nfs/dbraw/zinc/62/26/52/806622652.db2.gz GILXMTVTSOOURI-OLZOCXBDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927757 806623638 /nfs/dbraw/zinc/62/36/38/806623638.db2.gz GILXMTVTSOOURI-CHWSQXEVSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086046431 806638839 /nfs/dbraw/zinc/63/88/39/806638839.db2.gz YIWBXRAGOLWRLZ-OUAUKWLOSA-N 2 1 268.361 -0.950 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086046200 806638897 /nfs/dbraw/zinc/63/88/97/806638897.db2.gz OSUSFVLHSVLQRC-XQHKEYJVSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023086451 798879592 /nfs/dbraw/zinc/87/95/92/798879592.db2.gz MEJJGVAIJFVQHX-WHOHXGKFSA-N 2 1 255.362 -0.444 20 0 CBADMP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001023086300 798880070 /nfs/dbraw/zinc/88/00/70/798880070.db2.gz HJJZAOXJEHXOTB-UTUOFQBUSA-N 2 1 292.387 -0.198 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCF)C2)C1 ZINC001023115520 798884187 /nfs/dbraw/zinc/88/41/87/798884187.db2.gz NQAVCJWNINNANK-GRYCIOLGSA-N 2 1 273.352 -0.087 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCF)C2)C1 ZINC001023115520 798884191 /nfs/dbraw/zinc/88/41/91/798884191.db2.gz NQAVCJWNINNANK-GRYCIOLGSA-N 2 1 273.352 -0.087 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+](CCO)C2)C1 ZINC001023292158 798898662 /nfs/dbraw/zinc/89/86/62/798898662.db2.gz QNDANFDXLTUBDZ-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+](CCO)C2)C1 ZINC001023292158 798898664 /nfs/dbraw/zinc/89/86/64/798898664.db2.gz QNDANFDXLTUBDZ-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001023292158 798898668 /nfs/dbraw/zinc/89/86/68/798898668.db2.gz QNDANFDXLTUBDZ-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001023292158 798898670 /nfs/dbraw/zinc/89/86/70/798898670.db2.gz QNDANFDXLTUBDZ-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+](CCO)C2)C1 ZINC001023757447 798921394 /nfs/dbraw/zinc/92/13/94/798921394.db2.gz GQLOELQDAULTOL-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+](CCO)C2)C1 ZINC001023757447 798921398 /nfs/dbraw/zinc/92/13/98/798921398.db2.gz GQLOELQDAULTOL-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001023757447 798921401 /nfs/dbraw/zinc/92/14/01/798921401.db2.gz GQLOELQDAULTOL-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001023757447 798921406 /nfs/dbraw/zinc/92/14/06/798921406.db2.gz GQLOELQDAULTOL-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+](CCO)C2)C1 ZINC001023757449 798921428 /nfs/dbraw/zinc/92/14/28/798921428.db2.gz GQLOELQDAULTOL-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+](CCO)C2)C1 ZINC001023757449 798921432 /nfs/dbraw/zinc/92/14/32/798921432.db2.gz GQLOELQDAULTOL-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001023757449 798921435 /nfs/dbraw/zinc/92/14/35/798921435.db2.gz GQLOELQDAULTOL-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001023757449 798921437 /nfs/dbraw/zinc/92/14/37/798921437.db2.gz GQLOELQDAULTOL-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001025707987 798971292 /nfs/dbraw/zinc/97/12/92/798971292.db2.gz HDAHCSFMGKEUDG-GCHJQGSQSA-N 2 1 280.372 -0.999 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001025707987 798971295 /nfs/dbraw/zinc/97/12/95/798971295.db2.gz HDAHCSFMGKEUDG-GCHJQGSQSA-N 2 1 280.372 -0.999 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001025707987 798971298 /nfs/dbraw/zinc/97/12/98/798971298.db2.gz HDAHCSFMGKEUDG-GCHJQGSQSA-N 2 1 280.372 -0.999 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001025707987 798971302 /nfs/dbraw/zinc/97/13/02/798971302.db2.gz HDAHCSFMGKEUDG-GCHJQGSQSA-N 2 1 280.372 -0.999 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001025708337 798971821 /nfs/dbraw/zinc/97/18/21/798971821.db2.gz PGOZZTKUSNBVOX-LBELIVKGSA-N 2 1 294.399 -0.739 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001025708337 798971826 /nfs/dbraw/zinc/97/18/26/798971826.db2.gz PGOZZTKUSNBVOX-LBELIVKGSA-N 2 1 294.399 -0.739 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001025708337 798971832 /nfs/dbraw/zinc/97/18/32/798971832.db2.gz PGOZZTKUSNBVOX-LBELIVKGSA-N 2 1 294.399 -0.739 20 0 CBADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025799045 798976367 /nfs/dbraw/zinc/97/63/67/798976367.db2.gz QLHFHQFOPFVXOK-PDWCTOEPSA-N 2 1 279.384 -0.084 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025799045 798976371 /nfs/dbraw/zinc/97/63/71/798976371.db2.gz QLHFHQFOPFVXOK-PDWCTOEPSA-N 2 1 279.384 -0.084 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025799045 798976375 /nfs/dbraw/zinc/97/63/75/798976375.db2.gz QLHFHQFOPFVXOK-PDWCTOEPSA-N 2 1 279.384 -0.084 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001025820340 798978556 /nfs/dbraw/zinc/97/85/56/798978556.db2.gz OBNCYJOSAOJYNU-RGDJUOJXSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001025820340 798978560 /nfs/dbraw/zinc/97/85/60/798978560.db2.gz OBNCYJOSAOJYNU-RGDJUOJXSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC001025820340 798978562 /nfs/dbraw/zinc/97/85/62/798978562.db2.gz OBNCYJOSAOJYNU-RGDJUOJXSA-N 2 1 281.400 -0.102 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001026044229 798987847 /nfs/dbraw/zinc/98/78/47/798987847.db2.gz MBJXVMGBKSBLJX-QSLWVIQJSA-N 2 1 281.400 -0.123 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001026044229 798987848 /nfs/dbraw/zinc/98/78/48/798987848.db2.gz MBJXVMGBKSBLJX-QSLWVIQJSA-N 2 1 281.400 -0.123 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001026044229 798987850 /nfs/dbraw/zinc/98/78/50/798987850.db2.gz MBJXVMGBKSBLJX-QSLWVIQJSA-N 2 1 281.400 -0.123 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001026040911 798987930 /nfs/dbraw/zinc/98/79/30/798987930.db2.gz ZGTPSHQKUONGTE-JYKNGBAOSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001026040911 798987934 /nfs/dbraw/zinc/98/79/34/798987934.db2.gz ZGTPSHQKUONGTE-JYKNGBAOSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC001026040911 798987938 /nfs/dbraw/zinc/98/79/38/798987938.db2.gz ZGTPSHQKUONGTE-JYKNGBAOSA-N 2 1 281.400 -0.102 20 0 CBADMP 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 798990873 /nfs/dbraw/zinc/99/08/73/798990873.db2.gz GEQXNRFIRTXHFY-GGAZOKNXSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001026140329 798990878 /nfs/dbraw/zinc/99/08/78/798990878.db2.gz GEQXNRFIRTXHFY-GGAZOKNXSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001026140329 798990883 /nfs/dbraw/zinc/99/08/83/798990883.db2.gz GEQXNRFIRTXHFY-GGAZOKNXSA-N 2 1 281.400 -0.245 20 0 CBADMP 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 798992869 /nfs/dbraw/zinc/99/28/69/798992869.db2.gz FNBCLCWPVSVQQN-NYEGDDQHSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001026148920 798992871 /nfs/dbraw/zinc/99/28/71/798992871.db2.gz FNBCLCWPVSVQQN-NYEGDDQHSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001026148920 798992874 /nfs/dbraw/zinc/99/28/74/798992874.db2.gz FNBCLCWPVSVQQN-NYEGDDQHSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681581 799064210 /nfs/dbraw/zinc/06/42/10/799064210.db2.gz YKFWNMMIMXGUCH-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680780 799065705 /nfs/dbraw/zinc/06/57/05/799065705.db2.gz JIAQLHQOOFUSRS-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680780 799065713 /nfs/dbraw/zinc/06/57/13/799065713.db2.gz JIAQLHQOOFUSRS-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027680780 799065718 /nfs/dbraw/zinc/06/57/18/799065718.db2.gz JIAQLHQOOFUSRS-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027680780 799065722 /nfs/dbraw/zinc/06/57/22/799065722.db2.gz JIAQLHQOOFUSRS-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC001027806231 799082556 /nfs/dbraw/zinc/08/25/56/799082556.db2.gz FMBYHBQHBIMQLL-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC001027806231 799082565 /nfs/dbraw/zinc/08/25/65/799082565.db2.gz FMBYHBQHBIMQLL-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001027806231 799082573 /nfs/dbraw/zinc/08/25/73/799082573.db2.gz FMBYHBQHBIMQLL-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC001027806231 799082581 /nfs/dbraw/zinc/08/25/81/799082581.db2.gz FMBYHBQHBIMQLL-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)CC[N@@H+]1C ZINC001027893509 799094585 /nfs/dbraw/zinc/09/45/85/799094585.db2.gz YBOBKSFUZQMJQS-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)CC[N@H+]1C ZINC001027893509 799094592 /nfs/dbraw/zinc/09/45/92/799094592.db2.gz YBOBKSFUZQMJQS-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)CC[NH+]1C ZINC001027893509 799094599 /nfs/dbraw/zinc/09/45/99/799094599.db2.gz YBOBKSFUZQMJQS-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)CC[NH+]1C ZINC001027893509 799094606 /nfs/dbraw/zinc/09/46/06/799094606.db2.gz YBOBKSFUZQMJQS-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP CCN1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCO)C1 ZINC001028327709 799122324 /nfs/dbraw/zinc/12/23/24/799122324.db2.gz BQFLBIDQVDGQJQ-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001028327709 799122330 /nfs/dbraw/zinc/12/23/30/799122330.db2.gz BQFLBIDQVDGQJQ-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001028327709 799122333 /nfs/dbraw/zinc/12/23/33/799122333.db2.gz BQFLBIDQVDGQJQ-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCO)C1 ZINC001028327709 799122337 /nfs/dbraw/zinc/12/23/37/799122337.db2.gz BQFLBIDQVDGQJQ-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001028580502 799152950 /nfs/dbraw/zinc/15/29/50/799152950.db2.gz XITGEFHQCHCYTP-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001028580502 799152954 /nfs/dbraw/zinc/15/29/54/799152954.db2.gz XITGEFHQCHCYTP-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028580502 799152955 /nfs/dbraw/zinc/15/29/55/799152955.db2.gz XITGEFHQCHCYTP-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001028635694 799155987 /nfs/dbraw/zinc/15/59/87/799155987.db2.gz DWDFUUDQMBWSDZ-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001028635694 799155990 /nfs/dbraw/zinc/15/59/90/799155990.db2.gz DWDFUUDQMBWSDZ-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001028635694 799155995 /nfs/dbraw/zinc/15/59/95/799155995.db2.gz DWDFUUDQMBWSDZ-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCO)C1 ZINC001028637529 799156145 /nfs/dbraw/zinc/15/61/45/799156145.db2.gz XTXPOSDBPYMIFF-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001028637529 799156147 /nfs/dbraw/zinc/15/61/47/799156147.db2.gz XTXPOSDBPYMIFF-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001028637529 799156151 /nfs/dbraw/zinc/15/61/51/799156151.db2.gz XTXPOSDBPYMIFF-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001028781288 799169839 /nfs/dbraw/zinc/16/98/39/799169839.db2.gz TXYDOHDDKUFAII-GFCCVEGCSA-N 2 1 269.389 -0.241 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028985259 799184356 /nfs/dbraw/zinc/18/43/56/799184356.db2.gz JYCMPVOMXPFYFP-RYUDHWBXSA-N 2 1 282.388 -0.878 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028985259 799184359 /nfs/dbraw/zinc/18/43/59/799184359.db2.gz JYCMPVOMXPFYFP-RYUDHWBXSA-N 2 1 282.388 -0.878 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028985259 799184362 /nfs/dbraw/zinc/18/43/62/799184362.db2.gz JYCMPVOMXPFYFP-RYUDHWBXSA-N 2 1 282.388 -0.878 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)C1 ZINC001028987209 799184662 /nfs/dbraw/zinc/18/46/62/799184662.db2.gz WBWCSMLXDWRYKN-VXGBXAGGSA-N 2 1 255.362 -0.632 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+](CCO)C2)C1 ZINC001028987209 799184667 /nfs/dbraw/zinc/18/46/67/799184667.db2.gz WBWCSMLXDWRYKN-VXGBXAGGSA-N 2 1 255.362 -0.632 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001028987209 799184670 /nfs/dbraw/zinc/18/46/70/799184670.db2.gz WBWCSMLXDWRYKN-VXGBXAGGSA-N 2 1 255.362 -0.632 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCCO)C2)C1 ZINC001028997793 799185924 /nfs/dbraw/zinc/18/59/24/799185924.db2.gz ZVIFTCKQTNYNEM-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCCO)C2)C1 ZINC001028997793 799185927 /nfs/dbraw/zinc/18/59/27/799185927.db2.gz ZVIFTCKQTNYNEM-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001028997793 799185930 /nfs/dbraw/zinc/18/59/30/799185930.db2.gz ZVIFTCKQTNYNEM-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001028997793 799185934 /nfs/dbraw/zinc/18/59/34/799185934.db2.gz ZVIFTCKQTNYNEM-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001028997794 799186170 /nfs/dbraw/zinc/18/61/70/799186170.db2.gz ZVIFTCKQTNYNEM-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001028997794 799186173 /nfs/dbraw/zinc/18/61/73/799186173.db2.gz ZVIFTCKQTNYNEM-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001028997794 799186176 /nfs/dbraw/zinc/18/61/76/799186176.db2.gz ZVIFTCKQTNYNEM-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001028997794 799186179 /nfs/dbraw/zinc/18/61/79/799186179.db2.gz ZVIFTCKQTNYNEM-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001030161043 799251447 /nfs/dbraw/zinc/25/14/47/799251447.db2.gz IZTXEAZWLUZEOT-WCQYABFASA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001030161043 799251448 /nfs/dbraw/zinc/25/14/48/799251448.db2.gz IZTXEAZWLUZEOT-WCQYABFASA-N 2 1 267.373 -0.083 20 0 CBADMP CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031593324 799514983 /nfs/dbraw/zinc/51/49/83/799514983.db2.gz DAMZRPRZYXIXGM-GFCCVEGCSA-N 2 1 255.362 -0.225 20 0 CBADMP CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031593324 799514986 /nfs/dbraw/zinc/51/49/86/799514986.db2.gz DAMZRPRZYXIXGM-GFCCVEGCSA-N 2 1 255.362 -0.225 20 0 CBADMP CO[C@H](C)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031596876 799517402 /nfs/dbraw/zinc/51/74/02/799517402.db2.gz RFFOKXBNPQAAFZ-DGCLKSJQSA-N 2 1 285.388 -0.600 20 0 CBADMP CO[C@H](C)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031596876 799517404 /nfs/dbraw/zinc/51/74/04/799517404.db2.gz RFFOKXBNPQAAFZ-DGCLKSJQSA-N 2 1 285.388 -0.600 20 0 CBADMP C[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681657 799531410 /nfs/dbraw/zinc/53/14/10/799531410.db2.gz DFJGYDNOAXJXOY-DMDPSCGWSA-N 2 1 269.389 -0.245 20 0 CBADMP CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031688949 799533193 /nfs/dbraw/zinc/53/31/93/799533193.db2.gz OILBZQODFMZULL-QWHCGFSZSA-N 2 1 267.373 -0.083 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031763903 799542203 /nfs/dbraw/zinc/54/22/03/799542203.db2.gz MZSSJVZFBXJTSK-DGCLKSJQSA-N 2 1 285.388 -0.600 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031763903 799542206 /nfs/dbraw/zinc/54/22/06/799542206.db2.gz MZSSJVZFBXJTSK-DGCLKSJQSA-N 2 1 285.388 -0.600 20 0 CBADMP CO[C@H](C)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765105 799543024 /nfs/dbraw/zinc/54/30/24/799543024.db2.gz AMVAQEHAQJNWGW-YRGRVCCFSA-N 2 1 299.415 -0.212 20 0 CBADMP CO[C@H](C)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765105 799543027 /nfs/dbraw/zinc/54/30/27/799543027.db2.gz AMVAQEHAQJNWGW-YRGRVCCFSA-N 2 1 299.415 -0.212 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130015 799584315 /nfs/dbraw/zinc/58/43/15/799584315.db2.gz DICIYZOMRNNLKQ-NSHDSACASA-N 2 1 294.399 -0.735 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032185698 799591083 /nfs/dbraw/zinc/59/10/83/799591083.db2.gz BGTBZBAKADCDAW-DGCLKSJQSA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032185698 799591084 /nfs/dbraw/zinc/59/10/84/799591084.db2.gz BGTBZBAKADCDAW-DGCLKSJQSA-N 2 1 296.415 -0.537 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H](C)COC)C2)C1 ZINC001032197494 799592063 /nfs/dbraw/zinc/59/20/63/799592063.db2.gz LOJKQDKQFZPYEU-TZMCWYRMSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H](C)COC)C2)C1 ZINC001032197494 799592067 /nfs/dbraw/zinc/59/20/67/799592067.db2.gz LOJKQDKQFZPYEU-TZMCWYRMSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCCO)C2)C1 ZINC001032197580 799592407 /nfs/dbraw/zinc/59/24/07/799592407.db2.gz OUCUAPHWWGIYRX-ZDUSSCGKSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCCO)C2)C1 ZINC001032197580 799592411 /nfs/dbraw/zinc/59/24/11/799592411.db2.gz OUCUAPHWWGIYRX-ZDUSSCGKSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@@H](C)COC)C2)C1 ZINC001032197492 799592843 /nfs/dbraw/zinc/59/28/43/799592843.db2.gz LOJKQDKQFZPYEU-JSGCOSHPSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@@H](C)COC)C2)C1 ZINC001032197492 799592847 /nfs/dbraw/zinc/59/28/47/799592847.db2.gz LOJKQDKQFZPYEU-JSGCOSHPSA-N 2 1 299.415 -0.210 20 0 CBADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032406279 799624912 /nfs/dbraw/zinc/62/49/12/799624912.db2.gz WQXJPJDHWFREPM-MELADBBJSA-N 2 1 279.384 -0.394 20 0 CBADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032406279 799624916 /nfs/dbraw/zinc/62/49/16/799624916.db2.gz WQXJPJDHWFREPM-MELADBBJSA-N 2 1 279.384 -0.394 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032732240 799661594 /nfs/dbraw/zinc/66/15/94/799661594.db2.gz ZEFNXDVMDMOFDR-AVGNSLFASA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)C1 ZINC001032732240 799661597 /nfs/dbraw/zinc/66/15/97/799661597.db2.gz ZEFNXDVMDMOFDR-AVGNSLFASA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)C1 ZINC001032732240 799661600 /nfs/dbraw/zinc/66/16/00/799661600.db2.gz ZEFNXDVMDMOFDR-AVGNSLFASA-N 2 1 267.373 -0.394 20 0 CBADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032783870 799667289 /nfs/dbraw/zinc/66/72/89/799667289.db2.gz WWFAOGIRUIDOMS-RWMBFGLXSA-N 2 1 292.383 -0.744 20 0 CBADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032783870 799667293 /nfs/dbraw/zinc/66/72/93/799667293.db2.gz WWFAOGIRUIDOMS-RWMBFGLXSA-N 2 1 292.383 -0.744 20 0 CBADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCO)C1 ZINC001032959107 799697168 /nfs/dbraw/zinc/69/71/68/799697168.db2.gz CZJBMTMLEJKZSJ-NWDGAFQWSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCO)C1 ZINC001032959107 799697171 /nfs/dbraw/zinc/69/71/71/799697171.db2.gz CZJBMTMLEJKZSJ-NWDGAFQWSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCO)C1 ZINC001032959107 799697174 /nfs/dbraw/zinc/69/71/74/799697174.db2.gz CZJBMTMLEJKZSJ-NWDGAFQWSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033083120 799715449 /nfs/dbraw/zinc/71/54/49/799715449.db2.gz VUAOCKAVBKKHAM-KGLIPLIRSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](CCO)C2)C1 ZINC001033416313 799751717 /nfs/dbraw/zinc/75/17/17/799751717.db2.gz OZEBGCQVXYOYFV-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CCO)C2)C1 ZINC001033416313 799751721 /nfs/dbraw/zinc/75/17/21/799751721.db2.gz OZEBGCQVXYOYFV-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001033416313 799751725 /nfs/dbraw/zinc/75/17/25/799751725.db2.gz OZEBGCQVXYOYFV-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033593849 799769595 /nfs/dbraw/zinc/76/95/95/799769595.db2.gz NAGHWUFKSWNNKE-GFCCVEGCSA-N 2 1 267.373 -0.393 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033659701 799777506 /nfs/dbraw/zinc/77/75/06/799777506.db2.gz FLYPRICLOFEJQZ-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033659701 799777508 /nfs/dbraw/zinc/77/75/08/799777508.db2.gz FLYPRICLOFEJQZ-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033659701 799777512 /nfs/dbraw/zinc/77/75/12/799777512.db2.gz FLYPRICLOFEJQZ-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033659701 799777515 /nfs/dbraw/zinc/77/75/15/799777515.db2.gz FLYPRICLOFEJQZ-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](CCOC)C2)C1 ZINC001033672359 799778791 /nfs/dbraw/zinc/77/87/91/799778791.db2.gz ORAOHOFUGXKBRT-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](CCOC)C2)C1 ZINC001033672359 799778794 /nfs/dbraw/zinc/77/87/94/799778794.db2.gz ORAOHOFUGXKBRT-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCOC)C2)C1 ZINC001033672359 799778798 /nfs/dbraw/zinc/77/87/98/799778798.db2.gz ORAOHOFUGXKBRT-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC001033672359 799778804 /nfs/dbraw/zinc/77/88/04/799778804.db2.gz ORAOHOFUGXKBRT-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033659703 799778873 /nfs/dbraw/zinc/77/88/73/799778873.db2.gz FLYPRICLOFEJQZ-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033659703 799778875 /nfs/dbraw/zinc/77/88/75/799778875.db2.gz FLYPRICLOFEJQZ-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033659703 799778878 /nfs/dbraw/zinc/77/88/78/799778878.db2.gz FLYPRICLOFEJQZ-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033659703 799778879 /nfs/dbraw/zinc/77/88/79/799778879.db2.gz FLYPRICLOFEJQZ-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCOC)C2)C1 ZINC001033672362 799781260 /nfs/dbraw/zinc/78/12/60/799781260.db2.gz ORAOHOFUGXKBRT-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCOC)C2)C1 ZINC001033672362 799781263 /nfs/dbraw/zinc/78/12/63/799781263.db2.gz ORAOHOFUGXKBRT-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC001033672362 799781268 /nfs/dbraw/zinc/78/12/68/799781268.db2.gz ORAOHOFUGXKBRT-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC001033672362 799781272 /nfs/dbraw/zinc/78/12/72/799781272.db2.gz ORAOHOFUGXKBRT-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033777285 799789474 /nfs/dbraw/zinc/78/94/74/799789474.db2.gz UOOUPPPKBOZTPE-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCO)C1 ZINC001033777285 799789478 /nfs/dbraw/zinc/78/94/78/799789478.db2.gz UOOUPPPKBOZTPE-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCO)C1 ZINC001033777285 799789482 /nfs/dbraw/zinc/78/94/82/799789482.db2.gz UOOUPPPKBOZTPE-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001034040567 799807187 /nfs/dbraw/zinc/80/71/87/799807187.db2.gz VNLDUTZGIXDFTA-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCO)C1 ZINC001034040567 799807195 /nfs/dbraw/zinc/80/71/95/799807195.db2.gz VNLDUTZGIXDFTA-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCO)C1 ZINC001034040567 799807201 /nfs/dbraw/zinc/80/72/01/799807201.db2.gz VNLDUTZGIXDFTA-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@H]1CC[N@H+](CCO)C1 ZINC001034047312 799809449 /nfs/dbraw/zinc/80/94/49/799809449.db2.gz GCSOACAOWDOSGP-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@H]1CC[N@@H+](CCO)C1 ZINC001034047312 799809458 /nfs/dbraw/zinc/80/94/58/799809458.db2.gz GCSOACAOWDOSGP-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@H]1CC[NH+](CCO)C1 ZINC001034047312 799809464 /nfs/dbraw/zinc/80/94/64/799809464.db2.gz GCSOACAOWDOSGP-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@H]1CC[NH+](CCO)C1 ZINC001034047312 799809471 /nfs/dbraw/zinc/80/94/71/799809471.db2.gz GCSOACAOWDOSGP-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)CC1 ZINC001034379177 799836229 /nfs/dbraw/zinc/83/62/29/799836229.db2.gz BUEDQTLXTKGTDW-ZDUSSCGKSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)CC1 ZINC001034379177 799836235 /nfs/dbraw/zinc/83/62/35/799836235.db2.gz BUEDQTLXTKGTDW-ZDUSSCGKSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034524945 799842798 /nfs/dbraw/zinc/84/27/98/799842798.db2.gz JGBMDXKNFXTWTN-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034524945 799842808 /nfs/dbraw/zinc/84/28/08/799842808.db2.gz JGBMDXKNFXTWTN-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034524945 799842817 /nfs/dbraw/zinc/84/28/17/799842817.db2.gz JGBMDXKNFXTWTN-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034524945 799842823 /nfs/dbraw/zinc/84/28/23/799842823.db2.gz JGBMDXKNFXTWTN-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001034606927 799848730 /nfs/dbraw/zinc/84/87/30/799848730.db2.gz IBCUXNKNAJUYAF-LPWJVIDDSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)C1 ZINC001034734698 799854066 /nfs/dbraw/zinc/85/40/66/799854066.db2.gz VOCYYHSOGQOHFW-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034739190 799854864 /nfs/dbraw/zinc/85/48/64/799854864.db2.gz YUMPTMVPAOUUDM-ZDEQEGDKSA-N 2 1 296.415 -0.314 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001035325493 799890843 /nfs/dbraw/zinc/89/08/43/799890843.db2.gz BDPGCHRDWHZFBB-OLZOCXBDSA-N 2 1 285.388 -0.458 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001035325493 799890856 /nfs/dbraw/zinc/89/08/56/799890856.db2.gz BDPGCHRDWHZFBB-OLZOCXBDSA-N 2 1 285.388 -0.458 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCO2)C1 ZINC001035613369 799952966 /nfs/dbraw/zinc/95/29/66/799952966.db2.gz IZGCISCFGLBLBW-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCO2)C1 ZINC001035613369 799952972 /nfs/dbraw/zinc/95/29/72/799952972.db2.gz IZGCISCFGLBLBW-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)C1 ZINC001035613369 799952977 /nfs/dbraw/zinc/95/29/77/799952977.db2.gz IZGCISCFGLBLBW-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)C1 ZINC001035613369 799952983 /nfs/dbraw/zinc/95/29/83/799952983.db2.gz IZGCISCFGLBLBW-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP O=C(N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1)C12CC[NH+](CC1)C2 ZINC001036871694 800011353 /nfs/dbraw/zinc/01/13/53/800011353.db2.gz OSXJLBZJOWNLPR-ZIAGYGMSSA-N 2 1 293.411 -0.003 20 0 CBADMP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001038134125 800059729 /nfs/dbraw/zinc/05/97/29/800059729.db2.gz DYQMZZSZBNSYQB-NEPJUHHUSA-N 2 1 271.361 -0.846 20 0 CBADMP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001038134125 800059738 /nfs/dbraw/zinc/05/97/38/800059738.db2.gz DYQMZZSZBNSYQB-NEPJUHHUSA-N 2 1 271.361 -0.846 20 0 CBADMP COCC[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038918912 801265752 /nfs/dbraw/zinc/26/57/52/801265752.db2.gz FWJVQJJNXDUURQ-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP COCC[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038918912 801265749 /nfs/dbraw/zinc/26/57/49/801265749.db2.gz FWJVQJJNXDUURQ-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038927685 801268058 /nfs/dbraw/zinc/26/80/58/801268058.db2.gz YZLJESFJMGGPST-NEPJUHHUSA-N 2 1 267.373 -0.347 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCn2cncn2)C1 ZINC001039026524 801279877 /nfs/dbraw/zinc/27/98/77/801279877.db2.gz GSEBZAJHFMRIPA-CHWSQXEVSA-N 2 1 292.387 -0.580 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCn2cncn2)C1 ZINC001039026524 801279879 /nfs/dbraw/zinc/27/98/79/801279879.db2.gz GSEBZAJHFMRIPA-CHWSQXEVSA-N 2 1 292.387 -0.580 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)C1 ZINC001039026524 801279882 /nfs/dbraw/zinc/27/98/82/801279882.db2.gz GSEBZAJHFMRIPA-CHWSQXEVSA-N 2 1 292.387 -0.580 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)C1 ZINC001039026524 801279884 /nfs/dbraw/zinc/27/98/84/801279884.db2.gz GSEBZAJHFMRIPA-CHWSQXEVSA-N 2 1 292.387 -0.580 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001039028792 801282218 /nfs/dbraw/zinc/28/22/18/801282218.db2.gz QWVKBLXLJKWCNL-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCO)C1 ZINC001039028792 801282220 /nfs/dbraw/zinc/28/22/20/801282220.db2.gz QWVKBLXLJKWCNL-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCCO)C1 ZINC001039028792 801282222 /nfs/dbraw/zinc/28/22/22/801282222.db2.gz QWVKBLXLJKWCNL-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@]3(CC[NH+](CC(N)=O)C3)C2)C1 ZINC001041829572 801422310 /nfs/dbraw/zinc/42/23/10/801422310.db2.gz YBIHLWYNQIPNMA-WFASDCNBSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@]3(CC[N@H+](CC(N)=O)C3)C2)C1 ZINC001041829572 801422317 /nfs/dbraw/zinc/42/23/17/801422317.db2.gz YBIHLWYNQIPNMA-WFASDCNBSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)C1 ZINC001041829572 801422322 /nfs/dbraw/zinc/42/23/22/801422322.db2.gz YBIHLWYNQIPNMA-WFASDCNBSA-N 2 1 294.399 -0.652 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041832981 801422803 /nfs/dbraw/zinc/42/28/03/801422803.db2.gz JQDDFHGEXUUJON-HNNXBMFYSA-N 2 1 281.400 -0.001 20 0 CBADMP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001042731702 801515263 /nfs/dbraw/zinc/51/52/63/801515263.db2.gz QJCLVORTFNKHDY-RISCZKNCSA-N 2 1 281.400 -0.148 20 0 CBADMP CN(C(=O)C1CC[NH+](C)CC1)C1C[NH+](CCCO)C1 ZINC001043739926 801589182 /nfs/dbraw/zinc/58/91/82/801589182.db2.gz ZDCYGVGERRXYGY-UHFFFAOYSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](O)C[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044188581 801627905 /nfs/dbraw/zinc/62/79/05/801627905.db2.gz LROQXQHPMROWLA-RYUDHWBXSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](O)C[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044188581 801627909 /nfs/dbraw/zinc/62/79/09/801627909.db2.gz LROQXQHPMROWLA-RYUDHWBXSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001044780618 801669432 /nfs/dbraw/zinc/66/94/32/801669432.db2.gz QLTPSYTZHACARL-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001045389081 801694319 /nfs/dbraw/zinc/69/43/19/801694319.db2.gz FUIQDUQQXQEXMW-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2(C)CC[NH+](CCO)CC2)C1 ZINC001045640220 801707782 /nfs/dbraw/zinc/70/77/82/801707782.db2.gz IYWHCSCMUCONHQ-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC2(C)CC[NH+](CCO)CC2)C1 ZINC001045643656 801707974 /nfs/dbraw/zinc/70/79/74/801707974.db2.gz PKEGCFMPHQGTMQ-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC2(C)CC[NH+](CCO)CC2)C1 ZINC001045643656 801707976 /nfs/dbraw/zinc/70/79/76/801707976.db2.gz PKEGCFMPHQGTMQ-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@]1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+](CC(N)=O)C1 ZINC001046323072 801752353 /nfs/dbraw/zinc/75/23/53/801752353.db2.gz GFHRLSNTANEWFK-IUODEOHRSA-N 2 1 294.399 -0.606 20 0 CBADMP C[C@@]1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+](CC(N)=O)C1 ZINC001046323072 801752359 /nfs/dbraw/zinc/75/23/59/801752359.db2.gz GFHRLSNTANEWFK-IUODEOHRSA-N 2 1 294.399 -0.606 20 0 CBADMP C[C@]1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+](CC(N)=O)C1 ZINC001046323071 801752898 /nfs/dbraw/zinc/75/28/98/801752898.db2.gz GFHRLSNTANEWFK-DOMZBBRYSA-N 2 1 294.399 -0.606 20 0 CBADMP C[C@]1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+](CC(N)=O)C1 ZINC001046323071 801752905 /nfs/dbraw/zinc/75/29/05/801752905.db2.gz GFHRLSNTANEWFK-DOMZBBRYSA-N 2 1 294.399 -0.606 20 0 CBADMP COCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046414145 801759177 /nfs/dbraw/zinc/75/91/77/801759177.db2.gz FSWBXKQWEZUICW-UMVBOHGHSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046414145 801759187 /nfs/dbraw/zinc/75/91/87/801759187.db2.gz FSWBXKQWEZUICW-UMVBOHGHSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046414145 801759194 /nfs/dbraw/zinc/75/91/94/801759194.db2.gz FSWBXKQWEZUICW-UMVBOHGHSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046414145 801759199 /nfs/dbraw/zinc/75/91/99/801759199.db2.gz FSWBXKQWEZUICW-UMVBOHGHSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001046569660 801775550 /nfs/dbraw/zinc/77/55/50/801775550.db2.gz KVBSBORASBZXHB-SLEUVZQESA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001046569660 801775556 /nfs/dbraw/zinc/77/55/56/801775556.db2.gz KVBSBORASBZXHB-SLEUVZQESA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001046569660 801775559 /nfs/dbraw/zinc/77/55/59/801775559.db2.gz KVBSBORASBZXHB-SLEUVZQESA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001046569660 801775562 /nfs/dbraw/zinc/77/55/62/801775562.db2.gz KVBSBORASBZXHB-SLEUVZQESA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046772902 801793448 /nfs/dbraw/zinc/79/34/48/801793448.db2.gz CAXAMNJGVPVZEQ-CQSZACIVSA-N 2 1 294.399 -0.591 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046772902 801793454 /nfs/dbraw/zinc/79/34/54/801793454.db2.gz CAXAMNJGVPVZEQ-CQSZACIVSA-N 2 1 294.399 -0.591 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046830947 801795864 /nfs/dbraw/zinc/79/58/64/801795864.db2.gz CCXQKSCMKPPLCD-WFASDCNBSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046830947 801795871 /nfs/dbraw/zinc/79/58/71/801795871.db2.gz CCXQKSCMKPPLCD-WFASDCNBSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046830947 801795874 /nfs/dbraw/zinc/79/58/74/801795874.db2.gz CCXQKSCMKPPLCD-WFASDCNBSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046830947 801795879 /nfs/dbraw/zinc/79/58/79/801795879.db2.gz CCXQKSCMKPPLCD-WFASDCNBSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)C1 ZINC001046838126 801796388 /nfs/dbraw/zinc/79/63/88/801796388.db2.gz FITKYEZFIWRJBD-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@H+](CCO)C2)C1 ZINC001046838126 801796391 /nfs/dbraw/zinc/79/63/91/801796391.db2.gz FITKYEZFIWRJBD-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)C1 ZINC001046838126 801796396 /nfs/dbraw/zinc/79/63/96/801796396.db2.gz FITKYEZFIWRJBD-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046846312 801797082 /nfs/dbraw/zinc/79/70/82/801797082.db2.gz SRLOPDSOXSGBIJ-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046846312 801797084 /nfs/dbraw/zinc/79/70/84/801797084.db2.gz SRLOPDSOXSGBIJ-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@H+](CCCO)C2)C1 ZINC001046846312 801797088 /nfs/dbraw/zinc/79/70/88/801797088.db2.gz SRLOPDSOXSGBIJ-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCCO)C2)C1 ZINC001046846312 801797090 /nfs/dbraw/zinc/79/70/90/801797090.db2.gz SRLOPDSOXSGBIJ-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047324353 801834461 /nfs/dbraw/zinc/83/44/61/801834461.db2.gz PXXKGBHHYOJCOA-AGIUHOORSA-N 2 1 269.389 -0.008 20 0 CBADMP CC(C)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001047324353 801834468 /nfs/dbraw/zinc/83/44/68/801834468.db2.gz PXXKGBHHYOJCOA-AGIUHOORSA-N 2 1 269.389 -0.008 20 0 CBADMP CC(C)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047324353 801834475 /nfs/dbraw/zinc/83/44/75/801834475.db2.gz PXXKGBHHYOJCOA-AGIUHOORSA-N 2 1 269.389 -0.008 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001047459158 801876889 /nfs/dbraw/zinc/87/68/89/801876889.db2.gz NGWSUQXMUWBWGY-AVGNSLFASA-N 2 1 296.371 -0.924 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001047459158 801876902 /nfs/dbraw/zinc/87/69/02/801876902.db2.gz NGWSUQXMUWBWGY-AVGNSLFASA-N 2 1 296.371 -0.924 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047545034 801896946 /nfs/dbraw/zinc/89/69/46/801896946.db2.gz NWYRSMQELHGQOW-DRZSPHRISA-N 2 1 296.371 -0.509 20 0 CBADMP CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047545742 801898853 /nfs/dbraw/zinc/89/88/53/801898853.db2.gz WNXXSMIXUQWAIF-STQMWFEESA-N 2 1 278.356 -0.134 20 0 CBADMP CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001047634085 801915196 /nfs/dbraw/zinc/91/51/96/801915196.db2.gz VOPMDIAFRGZLAB-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001047634085 801915201 /nfs/dbraw/zinc/91/52/01/801915201.db2.gz VOPMDIAFRGZLAB-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001047634085 801915207 /nfs/dbraw/zinc/91/52/07/801915207.db2.gz VOPMDIAFRGZLAB-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001047634085 801915212 /nfs/dbraw/zinc/91/52/12/801915212.db2.gz VOPMDIAFRGZLAB-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2C[NH+](C(C)C)C[C@@H]2O)C1 ZINC001047634180 801915337 /nfs/dbraw/zinc/91/53/37/801915337.db2.gz YHRMOGSEYJGYLX-MELADBBJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2C[NH+](C(C)C)C[C@@H]2O)C1 ZINC001047634180 801915339 /nfs/dbraw/zinc/91/53/39/801915339.db2.gz YHRMOGSEYJGYLX-MELADBBJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2C[N@@H+](C(C)C)C[C@@H]2O)C1 ZINC001047634180 801915343 /nfs/dbraw/zinc/91/53/43/801915343.db2.gz YHRMOGSEYJGYLX-MELADBBJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2C[N@H+](C(C)C)C[C@@H]2O)C1 ZINC001047634180 801915347 /nfs/dbraw/zinc/91/53/47/801915347.db2.gz YHRMOGSEYJGYLX-MELADBBJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001047632860 801915837 /nfs/dbraw/zinc/91/58/37/801915837.db2.gz CCZOBLGMLWCEDE-AVGNSLFASA-N 2 1 285.388 -0.770 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001047632860 801915840 /nfs/dbraw/zinc/91/58/40/801915840.db2.gz CCZOBLGMLWCEDE-AVGNSLFASA-N 2 1 285.388 -0.770 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001047632860 801915844 /nfs/dbraw/zinc/91/58/44/801915844.db2.gz CCZOBLGMLWCEDE-AVGNSLFASA-N 2 1 285.388 -0.770 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001047632860 801915850 /nfs/dbraw/zinc/91/58/50/801915850.db2.gz CCZOBLGMLWCEDE-AVGNSLFASA-N 2 1 285.388 -0.770 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723777 801955492 /nfs/dbraw/zinc/95/54/92/801955492.db2.gz PFTFTUARYJIHPM-RVMXOQNASA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048723777 801955495 /nfs/dbraw/zinc/95/54/95/801955495.db2.gz PFTFTUARYJIHPM-RVMXOQNASA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048723777 801955500 /nfs/dbraw/zinc/95/55/00/801955500.db2.gz PFTFTUARYJIHPM-RVMXOQNASA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723485 801956403 /nfs/dbraw/zinc/95/64/03/801956403.db2.gz FZPVOKDXDGRLPC-IGQOVBAYSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048723485 801956409 /nfs/dbraw/zinc/95/64/09/801956409.db2.gz FZPVOKDXDGRLPC-IGQOVBAYSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048723485 801956414 /nfs/dbraw/zinc/95/64/14/801956414.db2.gz FZPVOKDXDGRLPC-IGQOVBAYSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723778 801956457 /nfs/dbraw/zinc/95/64/57/801956457.db2.gz PFTFTUARYJIHPM-WUHRBBMRSA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048723778 801956461 /nfs/dbraw/zinc/95/64/61/801956461.db2.gz PFTFTUARYJIHPM-WUHRBBMRSA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048723778 801956468 /nfs/dbraw/zinc/95/64/68/801956468.db2.gz PFTFTUARYJIHPM-WUHRBBMRSA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)O1 ZINC001048889934 801978675 /nfs/dbraw/zinc/97/86/75/801978675.db2.gz CCRFNGOSIDXAOZ-YIYPIFLZSA-N 2 1 297.399 -0.912 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)O1 ZINC001048889934 801978677 /nfs/dbraw/zinc/97/86/77/801978677.db2.gz CCRFNGOSIDXAOZ-YIYPIFLZSA-N 2 1 297.399 -0.912 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)O1 ZINC001048889934 801978679 /nfs/dbraw/zinc/97/86/79/801978679.db2.gz CCRFNGOSIDXAOZ-YIYPIFLZSA-N 2 1 297.399 -0.912 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)O1 ZINC001048889934 801978681 /nfs/dbraw/zinc/97/86/81/801978681.db2.gz CCRFNGOSIDXAOZ-YIYPIFLZSA-N 2 1 297.399 -0.912 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001049059289 801994457 /nfs/dbraw/zinc/99/44/57/801994457.db2.gz PTBUJLQYGJOYJD-MELADBBJSA-N 2 1 281.400 -0.289 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)C1 ZINC001049059289 801994465 /nfs/dbraw/zinc/99/44/65/801994465.db2.gz PTBUJLQYGJOYJD-MELADBBJSA-N 2 1 281.400 -0.289 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1 ZINC001049059289 801994473 /nfs/dbraw/zinc/99/44/73/801994473.db2.gz PTBUJLQYGJOYJD-MELADBBJSA-N 2 1 281.400 -0.289 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049059485 801994905 /nfs/dbraw/zinc/99/49/05/801994905.db2.gz RHPCUZJGIKGWNY-RWMBFGLXSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049059485 801994908 /nfs/dbraw/zinc/99/49/08/801994908.db2.gz RHPCUZJGIKGWNY-RWMBFGLXSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049059485 801994910 /nfs/dbraw/zinc/99/49/10/801994910.db2.gz RHPCUZJGIKGWNY-RWMBFGLXSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001049060087 801995479 /nfs/dbraw/zinc/99/54/79/801995479.db2.gz MYWTZEUFCJFOTM-MQYQWHSLSA-N 2 1 281.400 -0.433 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049060087 801995482 /nfs/dbraw/zinc/99/54/82/801995482.db2.gz MYWTZEUFCJFOTM-MQYQWHSLSA-N 2 1 281.400 -0.433 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049060087 801995486 /nfs/dbraw/zinc/99/54/86/801995486.db2.gz MYWTZEUFCJFOTM-MQYQWHSLSA-N 2 1 281.400 -0.433 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)C[C@@H]2C1 ZINC001049059959 801995926 /nfs/dbraw/zinc/99/59/26/801995926.db2.gz KJGNYFZFRLCATC-XQLPTFJDSA-N 2 1 295.427 -0.043 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049059959 801995929 /nfs/dbraw/zinc/99/59/29/801995929.db2.gz KJGNYFZFRLCATC-XQLPTFJDSA-N 2 1 295.427 -0.043 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001049059959 801995932 /nfs/dbraw/zinc/99/59/32/801995932.db2.gz KJGNYFZFRLCATC-XQLPTFJDSA-N 2 1 295.427 -0.043 20 0 CBADMP 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 801996392 /nfs/dbraw/zinc/99/63/92/801996392.db2.gz KJHJDMWNRKINCD-WUHRBBMRSA-N 2 1 294.399 -0.940 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001049059963 801996397 /nfs/dbraw/zinc/99/63/97/801996397.db2.gz KJHJDMWNRKINCD-WUHRBBMRSA-N 2 1 294.399 -0.940 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049059963 801996399 /nfs/dbraw/zinc/99/63/99/801996399.db2.gz KJHJDMWNRKINCD-WUHRBBMRSA-N 2 1 294.399 -0.940 20 0 CBADMP O=C(N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001049174215 802003598 /nfs/dbraw/zinc/00/35/98/802003598.db2.gz OTBSUDFXRHQKGN-OKILXGFUSA-N 2 1 293.411 -0.145 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049215018 802007183 /nfs/dbraw/zinc/00/71/83/802007183.db2.gz GHULTLJNMUSHGF-BETUJISGSA-N 2 1 294.399 -0.782 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCCO)C[C@@H]3C2)C1 ZINC001049215233 802008279 /nfs/dbraw/zinc/00/82/79/802008279.db2.gz PLXWSQDODNMDBQ-MCIONIFRSA-N 2 1 281.400 -0.289 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCCO)C[C@@H]3C2)C1 ZINC001049215233 802008288 /nfs/dbraw/zinc/00/82/88/802008288.db2.gz PLXWSQDODNMDBQ-MCIONIFRSA-N 2 1 281.400 -0.289 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)C1 ZINC001049215233 802008298 /nfs/dbraw/zinc/00/82/98/802008298.db2.gz PLXWSQDODNMDBQ-MCIONIFRSA-N 2 1 281.400 -0.289 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049216081 802009196 /nfs/dbraw/zinc/00/91/96/802009196.db2.gz SDGLNKYUQLJKBO-OKILXGFUSA-N 2 1 292.383 -0.036 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001049216081 802009203 /nfs/dbraw/zinc/00/92/03/802009203.db2.gz SDGLNKYUQLJKBO-OKILXGFUSA-N 2 1 292.383 -0.036 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(N)=O)[NH+](C)C ZINC001049549361 802026457 /nfs/dbraw/zinc/02/64/57/802026457.db2.gz HQLUJLPAEGHLHN-FRRDWIJNSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(N)=O)[NH+](C)C ZINC001049549361 802026466 /nfs/dbraw/zinc/02/64/66/802026466.db2.gz HQLUJLPAEGHLHN-FRRDWIJNSA-N 2 1 296.415 -0.123 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCO)C1 ZINC001049894679 802043180 /nfs/dbraw/zinc/04/31/80/802043180.db2.gz GTHUSVWLGFQWDV-IHRRRGAJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCO)C1 ZINC001049894679 802043186 /nfs/dbraw/zinc/04/31/86/802043186.db2.gz GTHUSVWLGFQWDV-IHRRRGAJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCO)C1 ZINC001049894679 802043193 /nfs/dbraw/zinc/04/31/93/802043193.db2.gz GTHUSVWLGFQWDV-IHRRRGAJSA-N 2 1 281.400 -0.004 20 0 CBADMP CC(C)[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001051869597 802170009 /nfs/dbraw/zinc/17/00/09/802170009.db2.gz UHZWGBXRFFGTIV-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052255210 802188425 /nfs/dbraw/zinc/18/84/25/802188425.db2.gz XNTPUSAEEASOMV-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052255210 802188431 /nfs/dbraw/zinc/18/84/31/802188431.db2.gz XNTPUSAEEASOMV-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052255210 802188434 /nfs/dbraw/zinc/18/84/34/802188434.db2.gz XNTPUSAEEASOMV-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001052931962 802224897 /nfs/dbraw/zinc/22/48/97/802224897.db2.gz DZQGKPCTOKHMCC-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001052931962 802224904 /nfs/dbraw/zinc/22/49/04/802224904.db2.gz DZQGKPCTOKHMCC-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052931962 802224907 /nfs/dbraw/zinc/22/49/07/802224907.db2.gz DZQGKPCTOKHMCC-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001052931961 802225109 /nfs/dbraw/zinc/22/51/09/802225109.db2.gz DZQGKPCTOKHMCC-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001052931961 802225113 /nfs/dbraw/zinc/22/51/13/802225113.db2.gz DZQGKPCTOKHMCC-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052931961 802225119 /nfs/dbraw/zinc/22/51/19/802225119.db2.gz DZQGKPCTOKHMCC-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(N)=O ZINC001054736543 802367359 /nfs/dbraw/zinc/36/73/59/802367359.db2.gz KJMURTVEGBWHCL-ZYHUDNBSSA-N 2 1 282.388 -0.608 20 0 CBADMP CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148209851 814934559 /nfs/dbraw/zinc/93/45/59/814934559.db2.gz CEHIHSRIODFPRI-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CCNC(=O)C[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148209851 814934565 /nfs/dbraw/zinc/93/45/65/814934565.db2.gz CEHIHSRIODFPRI-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC)C[C@H]1O ZINC001100082433 811015969 /nfs/dbraw/zinc/01/59/69/811015969.db2.gz BQPXPGREPCRVAY-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC)C[C@H]1O ZINC001100082433 811015972 /nfs/dbraw/zinc/01/59/72/811015972.db2.gz BQPXPGREPCRVAY-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC)C[C@H]1O ZINC001100082433 811015979 /nfs/dbraw/zinc/01/59/79/811015979.db2.gz BQPXPGREPCRVAY-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP O=C(Cc1cnc[nH]1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001119569597 812812277 /nfs/dbraw/zinc/81/22/77/812812277.db2.gz OOSFNZYPWYBYSQ-NWDGAFQWSA-N 2 1 264.329 -0.380 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CCC[NH2+]C1 ZINC001121930808 813091588 /nfs/dbraw/zinc/09/15/88/813091588.db2.gz UMEXOJWWDMDCAC-GRYCIOLGSA-N 2 1 252.362 -0.757 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]C ZINC001122101148 813118253 /nfs/dbraw/zinc/11/82/53/813118253.db2.gz XOUQEXPWTVVGTI-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](NC(=O)CC(C)(C)[NH3+])[C@H]1C[N@@H+](C)CCN1C ZINC001122449127 813166536 /nfs/dbraw/zinc/16/65/36/813166536.db2.gz SSMAVCBPGSEKHR-WDEREUQCSA-N 2 1 256.394 -0.136 20 0 CBADMP C[C@H](NC(=O)CC(C)(C)[NH3+])[C@H]1CN(C)CC[N@@H+]1C ZINC001122449127 813166543 /nfs/dbraw/zinc/16/65/43/813166543.db2.gz SSMAVCBPGSEKHR-WDEREUQCSA-N 2 1 256.394 -0.136 20 0 CBADMP C[C@H](NC(=O)CC(C)(C)[NH3+])[C@H]1CN(C)CC[N@H+]1C ZINC001122449127 813166546 /nfs/dbraw/zinc/16/65/46/813166546.db2.gz SSMAVCBPGSEKHR-WDEREUQCSA-N 2 1 256.394 -0.136 20 0 CBADMP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCN1C ZINC001122450056 813166940 /nfs/dbraw/zinc/16/69/40/813166940.db2.gz ZJENEJCEQIUVGS-WCFLWFBJSA-N 2 1 266.389 -0.216 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1C[NH2+]CC12CC2)N1CC[NH+](C)CC1 ZINC001122499781 813172149 /nfs/dbraw/zinc/17/21/49/813172149.db2.gz ZXTDNYDZDIDBDQ-NWDGAFQWSA-N 2 1 266.389 -0.510 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C1 ZINC001129328229 813837555 /nfs/dbraw/zinc/83/75/55/813837555.db2.gz NKMZSZAVRIFZBF-NEPJUHHUSA-N 2 1 284.404 -0.456 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129341444 813837632 /nfs/dbraw/zinc/83/76/32/813837632.db2.gz UYKVESMVKCDVNG-ZDUSSCGKSA-N 2 1 298.431 -0.194 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129352030 813837837 /nfs/dbraw/zinc/83/78/37/813837837.db2.gz TZUCWYGMPFJIJX-UHFFFAOYSA-N 2 1 280.376 -0.495 20 0 CBADMP C[NH+](C)CCC(=O)NCC[NH2+]Cc1nnc2n1CCCC2 ZINC001133294470 814237692 /nfs/dbraw/zinc/23/76/92/814237692.db2.gz KEOOGVRUEYPTFB-UHFFFAOYSA-N 2 1 294.403 -0.228 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294330 814237986 /nfs/dbraw/zinc/23/79/86/814237986.db2.gz CWNDBBKYKYROCK-UHFFFAOYSA-N 2 1 268.365 -0.545 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001133842437 814305658 /nfs/dbraw/zinc/30/56/58/814305658.db2.gz PYPRKEUSSFPJQT-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@H](C)C2)n1 ZINC001133842437 814305667 /nfs/dbraw/zinc/30/56/67/814305667.db2.gz PYPRKEUSSFPJQT-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CCS(C)(=O)=O ZINC001142536993 814717456 /nfs/dbraw/zinc/71/74/56/814717456.db2.gz XQMYJWGCTMVDFQ-UHFFFAOYSA-N 2 1 292.405 -0.515 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)CCCC[NH+](C)C)n1 ZINC001148359719 814939770 /nfs/dbraw/zinc/93/97/70/814939770.db2.gz ABDNLNJBRNFHHP-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@H+](CC(=O)NC)C2 ZINC001148462467 814945955 /nfs/dbraw/zinc/94/59/55/814945955.db2.gz ABPHWMBMVZYUTF-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC)C2 ZINC001148462467 814945963 /nfs/dbraw/zinc/94/59/63/814945963.db2.gz ABPHWMBMVZYUTF-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC(=O)NC)C2 ZINC001148542678 814949375 /nfs/dbraw/zinc/94/93/75/814949375.db2.gz JYVRIQMJHODCCY-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC(=O)NC)C2 ZINC001148542678 814949378 /nfs/dbraw/zinc/94/93/78/814949378.db2.gz JYVRIQMJHODCCY-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CC(=O)NC)C2 ZINC001148542678 814949383 /nfs/dbraw/zinc/94/93/83/814949383.db2.gz JYVRIQMJHODCCY-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC)C2 ZINC001148542678 814949386 /nfs/dbraw/zinc/94/93/86/814949386.db2.gz JYVRIQMJHODCCY-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148570814 814950494 /nfs/dbraw/zinc/95/04/94/814950494.db2.gz MYSVJYDAHJAKFV-UHFFFAOYSA-N 2 1 286.420 -0.050 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cncn1C ZINC001148638705 814953808 /nfs/dbraw/zinc/95/38/08/814953808.db2.gz ODZIDVMOPUZUBX-UHFFFAOYSA-N 2 1 267.377 -0.032 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001148638376 814953824 /nfs/dbraw/zinc/95/38/24/814953824.db2.gz GLIPNSSDLKCCSI-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001148638066 814954364 /nfs/dbraw/zinc/95/43/64/814954364.db2.gz AJJPKEIOFQWQOC-UHFFFAOYSA-N 2 1 286.420 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCn1cncn1 ZINC001148643242 814954875 /nfs/dbraw/zinc/95/48/75/814954875.db2.gz WARVXGZQFUOHNV-UHFFFAOYSA-N 2 1 268.365 -0.674 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001148642663 814954899 /nfs/dbraw/zinc/95/48/99/814954899.db2.gz JURDEVGDILQSRI-NSHDSACASA-N 2 1 282.392 -0.076 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001148642663 814954904 /nfs/dbraw/zinc/95/49/04/814954904.db2.gz JURDEVGDILQSRI-NSHDSACASA-N 2 1 282.392 -0.076 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001148638710 814955366 /nfs/dbraw/zinc/95/53/66/814955366.db2.gz OIJHFFJOESGKGN-UHFFFAOYSA-N 2 1 270.377 -0.734 20 0 CBADMP C[C@@H](C[NH2+]CCOCCO)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001321899247 803835525 /nfs/dbraw/zinc/83/55/25/803835525.db2.gz XSKIQYHFHZGVJB-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP CCOCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001322132496 803864799 /nfs/dbraw/zinc/86/47/99/803864799.db2.gz ANIYOHACYXLRKW-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CCOCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001322132496 803864805 /nfs/dbraw/zinc/86/48/05/803864805.db2.gz ANIYOHACYXLRKW-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CCOCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001322132496 803864811 /nfs/dbraw/zinc/86/48/11/803864811.db2.gz ANIYOHACYXLRKW-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CCOCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001322132496 803864815 /nfs/dbraw/zinc/86/48/15/803864815.db2.gz ANIYOHACYXLRKW-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CN(CCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001322442451 803897526 /nfs/dbraw/zinc/89/75/26/803897526.db2.gz LZBLRZAGRYWCLI-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O ZINC001322796802 803940114 /nfs/dbraw/zinc/94/01/14/803940114.db2.gz QTWXTIMMWCMEQP-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP O=C(NCC[NH2+]CCCO)[C@@]12CC[N@@H+](C1)CCC2 ZINC001149238543 814978825 /nfs/dbraw/zinc/97/88/25/814978825.db2.gz BCUSEXJFRHDDEA-ZDUSSCGKSA-N 2 1 255.362 -0.440 20 0 CBADMP C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001322830922 803945234 /nfs/dbraw/zinc/94/52/34/803945234.db2.gz FOTLAKFJLSDEID-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[NH+](CCCC[N@H+](C)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC001323168363 803983003 /nfs/dbraw/zinc/98/30/03/803983003.db2.gz HHNWFUOFWNNGBP-TXEJJXNPSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCCC[N@H+](C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC001323168363 803983008 /nfs/dbraw/zinc/98/30/08/803983008.db2.gz HHNWFUOFWNNGBP-TXEJJXNPSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCCC[N@@H+](C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC001323168363 803983014 /nfs/dbraw/zinc/98/30/14/803983014.db2.gz HHNWFUOFWNNGBP-TXEJJXNPSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@@H+]2CCO)CCC1 ZINC001323246287 803995922 /nfs/dbraw/zinc/99/59/22/803995922.db2.gz LPPFQCQLSKBBJU-LLVKDONJSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@H+]2CCO)CCC1 ZINC001323246287 803995925 /nfs/dbraw/zinc/99/59/25/803995925.db2.gz LPPFQCQLSKBBJU-LLVKDONJSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001323407156 804023279 /nfs/dbraw/zinc/02/32/79/804023279.db2.gz ULSGHZVMHRRXKN-UWVGGRQHSA-N 2 1 268.361 -0.807 20 0 CBADMP C[C@@H](C(=O)NC1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001323428367 804026114 /nfs/dbraw/zinc/02/61/14/804026114.db2.gz NQEVWTKULKZUAB-LBPRGKRZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H](O)C[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001323969480 804089638 /nfs/dbraw/zinc/08/96/38/804089638.db2.gz BUYJYDBPRLTELD-LLVKDONJSA-N 2 1 257.378 -0.148 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001324005936 804095571 /nfs/dbraw/zinc/09/55/71/804095571.db2.gz MNLPWIGYYJYZQN-LLVKDONJSA-N 2 1 257.378 -0.148 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001324005936 804095583 /nfs/dbraw/zinc/09/55/83/804095583.db2.gz MNLPWIGYYJYZQN-LLVKDONJSA-N 2 1 257.378 -0.148 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](CCOCCO)C1 ZINC001324649333 804184803 /nfs/dbraw/zinc/18/48/03/804184803.db2.gz YFDJHUPXMHCOLY-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H]1C[NH+](CCO)CCCO1)C1CCC1 ZINC001149854165 815011259 /nfs/dbraw/zinc/01/12/59/815011259.db2.gz GYFVFPYGVPMFFO-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](CC(=O)NC[C@H]1C[N@H+](CCO)CCCO1)C1CCC1 ZINC001149854165 815011264 /nfs/dbraw/zinc/01/12/64/815011264.db2.gz GYFVFPYGVPMFFO-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](CC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1)C1CCC1 ZINC001149854165 815011269 /nfs/dbraw/zinc/01/12/69/815011269.db2.gz GYFVFPYGVPMFFO-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1)[NH+](C)C ZINC001149886508 815013658 /nfs/dbraw/zinc/01/36/58/815013658.db2.gz AIULVNDIZCGEHS-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[C@H](C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1)[NH+](C)C ZINC001149886509 815013686 /nfs/dbraw/zinc/01/36/86/815013686.db2.gz AIULVNDIZCGEHS-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240291 815022029 /nfs/dbraw/zinc/02/20/29/815022029.db2.gz DWTLDNYJXSVJNQ-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP COCC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240290 815021889 /nfs/dbraw/zinc/02/18/89/815021889.db2.gz DWTLDNYJXSVJNQ-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241558 815021511 /nfs/dbraw/zinc/02/15/11/815021511.db2.gz PXVKVFPSFYTLQK-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001150240965 815021537 /nfs/dbraw/zinc/02/15/37/815021537.db2.gz KFQOBPNOJVQUPE-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048484 815052278 /nfs/dbraw/zinc/05/22/78/815052278.db2.gz BOVKNYZEHGLWDJ-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001151049172 815052307 /nfs/dbraw/zinc/05/23/07/815052307.db2.gz JGXFIVPFQIVJIY-GFCCVEGCSA-N 2 1 282.388 -0.734 20 0 CBADMP Cn1nccc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049246 815053389 /nfs/dbraw/zinc/05/33/89/815053389.db2.gz LGIPNBYRAVTIAA-LLVKDONJSA-N 2 1 265.361 -0.422 20 0 CBADMP COc1nccc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151049810 815053665 /nfs/dbraw/zinc/05/36/65/815053665.db2.gz ZKKUBEKCFMKLMI-LLVKDONJSA-N 2 1 293.371 -0.357 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049573 815053969 /nfs/dbraw/zinc/05/39/69/815053969.db2.gz SIOOHACNTJNGBD-LLVKDONJSA-N 2 1 280.376 -0.545 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049573 815053976 /nfs/dbraw/zinc/05/39/76/815053976.db2.gz SIOOHACNTJNGBD-LLVKDONJSA-N 2 1 280.376 -0.545 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097128 805171474 /nfs/dbraw/zinc/17/14/74/805171474.db2.gz CZKZALQBXNECGO-XQQFMLRXSA-N 2 1 292.387 -0.409 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097128 805171476 /nfs/dbraw/zinc/17/14/76/805171476.db2.gz CZKZALQBXNECGO-XQQFMLRXSA-N 2 1 292.387 -0.409 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097128 805171479 /nfs/dbraw/zinc/17/14/79/805171479.db2.gz CZKZALQBXNECGO-XQQFMLRXSA-N 2 1 292.387 -0.409 20 0 CBADMP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151055991 815054361 /nfs/dbraw/zinc/05/43/61/815054361.db2.gz JTBPRGYJUWFOCC-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001151064412 815054638 /nfs/dbraw/zinc/05/46/38/815054638.db2.gz BHUVSUHDSBEVDM-ONGXEEELSA-N 2 1 280.376 -0.168 20 0 CBADMP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001151064412 815054643 /nfs/dbraw/zinc/05/46/43/815054643.db2.gz BHUVSUHDSBEVDM-ONGXEEELSA-N 2 1 280.376 -0.168 20 0 CBADMP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001151064410 815055225 /nfs/dbraw/zinc/05/52/25/815055225.db2.gz BHUVSUHDSBEVDM-MWLCHTKSSA-N 2 1 280.376 -0.168 20 0 CBADMP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001151064410 815055231 /nfs/dbraw/zinc/05/52/31/815055231.db2.gz BHUVSUHDSBEVDM-MWLCHTKSSA-N 2 1 280.376 -0.168 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001151065994 815056224 /nfs/dbraw/zinc/05/62/24/815056224.db2.gz PDCKWZBEDGVYHW-QWHCGFSZSA-N 2 1 296.415 -0.440 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001151065217 815056665 /nfs/dbraw/zinc/05/66/65/815056665.db2.gz IMNWRGSEQCJGFY-NEPJUHHUSA-N 2 1 292.387 -0.577 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)c1nncn1C ZINC001151065490 815057590 /nfs/dbraw/zinc/05/75/90/815057590.db2.gz KGSLNTCVZJUEIH-MNOVXSKESA-N 2 1 280.376 -0.466 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1nncn1C ZINC001151065490 815057594 /nfs/dbraw/zinc/05/75/94/815057594.db2.gz KGSLNTCVZJUEIH-MNOVXSKESA-N 2 1 280.376 -0.466 20 0 CBADMP CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151066981 815057978 /nfs/dbraw/zinc/05/79/78/815057978.db2.gz ZSBNTDRVTZLSGF-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151074197 815058474 /nfs/dbraw/zinc/05/84/74/815058474.db2.gz XDXCWWHIQGYGOL-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151074372 815058851 /nfs/dbraw/zinc/05/88/51/815058851.db2.gz XDXCWWHIQGYGOL-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001151121586 815063326 /nfs/dbraw/zinc/06/33/26/815063326.db2.gz INGFHRXJDORFQU-LLVKDONJSA-N 2 1 279.344 -0.872 20 0 CBADMP CO[C@H](C)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151115356 815061992 /nfs/dbraw/zinc/06/19/92/815061992.db2.gz WCDAHMIFFNTBKQ-SNVBAGLBSA-N 2 1 254.334 -0.068 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)NCC(C)C ZINC001151122251 815063385 /nfs/dbraw/zinc/06/33/85/815063385.db2.gz PJWPIEGLVQKEIM-UHFFFAOYSA-N 2 1 295.387 -0.330 20 0 CBADMP COC[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151122848 815064024 /nfs/dbraw/zinc/06/40/24/815064024.db2.gz VWNSNHLKPAPFGL-JTQLQIEISA-N 2 1 254.334 -0.068 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147006 815064276 /nfs/dbraw/zinc/06/42/76/815064276.db2.gz CXXJXVXPGUBXJM-UHFFFAOYSA-N 2 1 295.387 -0.234 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072553613 805310210 /nfs/dbraw/zinc/31/02/10/805310210.db2.gz FNPIJBNKDPBSET-LLVKDONJSA-N 2 1 280.372 -0.900 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072553613 805310219 /nfs/dbraw/zinc/31/02/19/805310219.db2.gz FNPIJBNKDPBSET-LLVKDONJSA-N 2 1 280.372 -0.900 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001072553613 805310230 /nfs/dbraw/zinc/31/02/30/805310230.db2.gz FNPIJBNKDPBSET-LLVKDONJSA-N 2 1 280.372 -0.900 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001072553613 805310241 /nfs/dbraw/zinc/31/02/41/805310241.db2.gz FNPIJBNKDPBSET-LLVKDONJSA-N 2 1 280.372 -0.900 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2)C1CC1 ZINC001072814377 805337411 /nfs/dbraw/zinc/33/74/11/805337411.db2.gz BWAULOULTQYJRT-CYBMUJFWSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2)C1CC1 ZINC001072814377 805337423 /nfs/dbraw/zinc/33/74/23/805337423.db2.gz BWAULOULTQYJRT-CYBMUJFWSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CC1 ZINC001072941374 805350347 /nfs/dbraw/zinc/35/03/47/805350347.db2.gz MTYIBVYENVLBNJ-UHFFFAOYSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CC1 ZINC001072941374 805350354 /nfs/dbraw/zinc/35/03/54/805350354.db2.gz MTYIBVYENVLBNJ-UHFFFAOYSA-N 2 1 294.399 -0.652 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072981415 805352763 /nfs/dbraw/zinc/35/27/63/805352763.db2.gz HJERFDILSRUUIC-NEPJUHHUSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072981415 805352774 /nfs/dbraw/zinc/35/27/74/805352774.db2.gz HJERFDILSRUUIC-NEPJUHHUSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001072981415 805352785 /nfs/dbraw/zinc/35/27/85/805352785.db2.gz HJERFDILSRUUIC-NEPJUHHUSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001072981415 805352793 /nfs/dbraw/zinc/35/27/93/805352793.db2.gz HJERFDILSRUUIC-NEPJUHHUSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001072983336 805354243 /nfs/dbraw/zinc/35/42/43/805354243.db2.gz SCVCBVKIFXVLCR-CYBMUJFWSA-N 2 1 281.400 -0.145 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC3(C2)CC[N@H+](CCO)C3)C1 ZINC001072983336 805354247 /nfs/dbraw/zinc/35/42/47/805354247.db2.gz SCVCBVKIFXVLCR-CYBMUJFWSA-N 2 1 281.400 -0.145 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1 ZINC001072983336 805354256 /nfs/dbraw/zinc/35/42/56/805354256.db2.gz SCVCBVKIFXVLCR-CYBMUJFWSA-N 2 1 281.400 -0.145 20 0 CBADMP CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073426020 805369823 /nfs/dbraw/zinc/36/98/23/805369823.db2.gz OEFQFDPCEGKEDJ-GFCCVEGCSA-N 2 1 294.399 -0.782 20 0 CBADMP CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073426020 805369833 /nfs/dbraw/zinc/36/98/33/805369833.db2.gz OEFQFDPCEGKEDJ-GFCCVEGCSA-N 2 1 294.399 -0.782 20 0 CBADMP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001073426020 805369841 /nfs/dbraw/zinc/36/98/41/805369841.db2.gz OEFQFDPCEGKEDJ-GFCCVEGCSA-N 2 1 294.399 -0.782 20 0 CBADMP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426020 805369851 /nfs/dbraw/zinc/36/98/51/805369851.db2.gz OEFQFDPCEGKEDJ-GFCCVEGCSA-N 2 1 294.399 -0.782 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073426152 805370408 /nfs/dbraw/zinc/37/04/08/805370408.db2.gz RYPIFXNTSVSDRA-CHWSQXEVSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001073426152 805370418 /nfs/dbraw/zinc/37/04/18/805370418.db2.gz RYPIFXNTSVSDRA-CHWSQXEVSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426152 805370427 /nfs/dbraw/zinc/37/04/27/805370427.db2.gz RYPIFXNTSVSDRA-CHWSQXEVSA-N 2 1 281.400 -0.147 20 0 CBADMP COCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073554390 805389273 /nfs/dbraw/zinc/38/92/73/805389273.db2.gz GZYQJKFWNVQMSQ-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001073554390 805389282 /nfs/dbraw/zinc/38/92/82/805389282.db2.gz GZYQJKFWNVQMSQ-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001073554390 805389291 /nfs/dbraw/zinc/38/92/91/805389291.db2.gz GZYQJKFWNVQMSQ-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCCO1 ZINC001073661659 805403348 /nfs/dbraw/zinc/40/33/48/805403348.db2.gz BLSNOCINWVQCAG-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001073661659 805403354 /nfs/dbraw/zinc/40/33/54/805403354.db2.gz BLSNOCINWVQCAG-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001073661659 805403359 /nfs/dbraw/zinc/40/33/59/805403359.db2.gz BLSNOCINWVQCAG-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)CC1 ZINC001073755935 805413673 /nfs/dbraw/zinc/41/36/73/805413673.db2.gz NYQRBYBEBLXERE-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC)CCCO2)C1 ZINC001073896561 805423611 /nfs/dbraw/zinc/42/36/11/805423611.db2.gz VGGVJNZMFPRSCR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC)CCCO2)C1 ZINC001073896561 805423613 /nfs/dbraw/zinc/42/36/13/805423613.db2.gz VGGVJNZMFPRSCR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC)CCCO2)C1 ZINC001073896561 805423614 /nfs/dbraw/zinc/42/36/14/805423614.db2.gz VGGVJNZMFPRSCR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC)CCCO2)C1 ZINC001073896561 805423616 /nfs/dbraw/zinc/42/36/16/805423616.db2.gz VGGVJNZMFPRSCR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCO)[C@@H]2C)C1 ZINC001074829639 805475034 /nfs/dbraw/zinc/47/50/34/805475034.db2.gz IBVKVMPRQQPPEJ-IHRRRGAJSA-N 2 1 299.415 -0.333 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCO)[C@@H]2C)C1 ZINC001074829639 805475035 /nfs/dbraw/zinc/47/50/35/805475035.db2.gz IBVKVMPRQQPPEJ-IHRRRGAJSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)CC[N@H+]1C ZINC001075809024 805533747 /nfs/dbraw/zinc/53/37/47/805533747.db2.gz OMLQHNFHNUNRRH-XJFOESAGSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)CC[NH+]1C ZINC001075809024 805533752 /nfs/dbraw/zinc/53/37/52/805533752.db2.gz OMLQHNFHNUNRRH-XJFOESAGSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)CC[NH+]1C ZINC001075809024 805533758 /nfs/dbraw/zinc/53/37/58/805533758.db2.gz OMLQHNFHNUNRRH-XJFOESAGSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(N)=O)C[C@H]32)CC[N@@H+]1C ZINC001075809087 805534454 /nfs/dbraw/zinc/53/44/54/805534454.db2.gz RZPBEBWBJORAJW-YVECIDJPSA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(N)=O)C[C@H]32)CC[N@H+]1C ZINC001075809087 805534463 /nfs/dbraw/zinc/53/44/63/805534463.db2.gz RZPBEBWBJORAJW-YVECIDJPSA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC[NH+]1C ZINC001075809087 805534465 /nfs/dbraw/zinc/53/44/65/805534465.db2.gz RZPBEBWBJORAJW-YVECIDJPSA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC[NH+]1C ZINC001075809087 805534472 /nfs/dbraw/zinc/53/44/72/805534472.db2.gz RZPBEBWBJORAJW-YVECIDJPSA-N 2 1 294.399 -0.655 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]21)C1CCC1 ZINC001075886062 805538828 /nfs/dbraw/zinc/53/88/28/805538828.db2.gz AAQPCWTUDVKTMU-GXTWGEPZSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21)C1CCC1 ZINC001075886062 805538834 /nfs/dbraw/zinc/53/88/34/805538834.db2.gz AAQPCWTUDVKTMU-GXTWGEPZSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21)C1CCC1 ZINC001075886062 805538839 /nfs/dbraw/zinc/53/88/39/805538839.db2.gz AAQPCWTUDVKTMU-GXTWGEPZSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC001076206164 805560591 /nfs/dbraw/zinc/56/05/91/805560591.db2.gz BTAXNYUVFCMWDR-QWHCGFSZSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC001076206164 805560593 /nfs/dbraw/zinc/56/05/93/805560593.db2.gz BTAXNYUVFCMWDR-QWHCGFSZSA-N 2 1 294.399 -0.654 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCCOC)C1 ZINC001151739821 815089934 /nfs/dbraw/zinc/08/99/34/815089934.db2.gz NUGFYBLPMLOCFK-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCCOC)C1 ZINC001151739821 815089941 /nfs/dbraw/zinc/08/99/41/815089941.db2.gz NUGFYBLPMLOCFK-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCCCO2)C1 ZINC001151740954 815090122 /nfs/dbraw/zinc/09/01/22/815090122.db2.gz ZYHMFXHIBQDSGT-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCCCO2)C1 ZINC001151740954 815090128 /nfs/dbraw/zinc/09/01/28/815090128.db2.gz ZYHMFXHIBQDSGT-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCCOC2)C1 ZINC001151748372 815090336 /nfs/dbraw/zinc/09/03/36/815090336.db2.gz DREHSHYRYRSPGX-KGLIPLIRSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCCOC2)C1 ZINC001151748372 815090341 /nfs/dbraw/zinc/09/03/41/815090341.db2.gz DREHSHYRYRSPGX-KGLIPLIRSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCC[C@H](C)O)C1 ZINC001151740456 815090899 /nfs/dbraw/zinc/09/08/99/815090899.db2.gz TYRUOEZHJDPBAI-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCC[C@H](C)O)C1 ZINC001151740456 815090905 /nfs/dbraw/zinc/09/09/05/815090905.db2.gz TYRUOEZHJDPBAI-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cnn(C)c2)C1 ZINC001151749195 815092616 /nfs/dbraw/zinc/09/26/16/815092616.db2.gz RGLAGJGBMPKFEQ-ZDUSSCGKSA-N 2 1 295.387 -0.653 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cnn(C)c2)C1 ZINC001151749195 815092620 /nfs/dbraw/zinc/09/26/20/815092620.db2.gz RGLAGJGBMPKFEQ-ZDUSSCGKSA-N 2 1 295.387 -0.653 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001152145679 815107851 /nfs/dbraw/zinc/10/78/51/815107851.db2.gz DPTRFBLZBZBWGC-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001152145679 815107855 /nfs/dbraw/zinc/10/78/55/815107855.db2.gz DPTRFBLZBZBWGC-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152224388 815110557 /nfs/dbraw/zinc/11/05/57/815110557.db2.gz WDVIGTKDCGISJI-UHFFFAOYSA-N 2 1 294.403 -0.103 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001152439303 815121009 /nfs/dbraw/zinc/12/10/09/815121009.db2.gz HSFHLEZHTMKASE-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CCn1cncn1 ZINC001152431690 815121354 /nfs/dbraw/zinc/12/13/54/815121354.db2.gz AEEPNPWUXWRNMX-UHFFFAOYSA-N 2 1 268.365 -0.676 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001152451786 815123058 /nfs/dbraw/zinc/12/30/58/815123058.db2.gz HHVRCQYQYUTULB-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152445874 815123389 /nfs/dbraw/zinc/12/33/89/815123389.db2.gz QAPXITCDBREOEE-LBPRGKRZSA-N 2 1 286.420 -0.053 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC)C(N)=O ZINC001152458353 815124742 /nfs/dbraw/zinc/12/47/42/815124742.db2.gz NYTKJMXGZBHREO-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(N)=O ZINC001152528827 815129533 /nfs/dbraw/zinc/12/95/33/815129533.db2.gz LVMLZBDGGAZXTI-DGCLKSJQSA-N 2 1 292.383 -0.131 20 0 CBADMP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152557140 815130010 /nfs/dbraw/zinc/13/00/10/815130010.db2.gz RRJKAXGMHWJLSO-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152557140 815130014 /nfs/dbraw/zinc/13/00/14/815130014.db2.gz RRJKAXGMHWJLSO-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](CCO)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152557140 815130016 /nfs/dbraw/zinc/13/00/16/815130016.db2.gz RRJKAXGMHWJLSO-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](CCO)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152557140 815130019 /nfs/dbraw/zinc/13/00/19/815130019.db2.gz RRJKAXGMHWJLSO-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP C[N@H+](CC(=O)NCC[NH2+]CC(N)=O)Cc1ccccc1 ZINC001153320728 815158364 /nfs/dbraw/zinc/15/83/64/815158364.db2.gz PHYFPQLKAMGIIM-UHFFFAOYSA-N 2 1 278.356 -0.691 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+]CC(N)=O)Cc1ccccc1 ZINC001153320728 815158367 /nfs/dbraw/zinc/15/83/67/815158367.db2.gz PHYFPQLKAMGIIM-UHFFFAOYSA-N 2 1 278.356 -0.691 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930188 815189261 /nfs/dbraw/zinc/18/92/61/815189261.db2.gz JIPCGDSHNNEZLA-YPMHNXCESA-N 2 1 286.420 -0.116 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930188 815189266 /nfs/dbraw/zinc/18/92/66/815189266.db2.gz JIPCGDSHNNEZLA-YPMHNXCESA-N 2 1 286.420 -0.116 20 0 CBADMP NC(=O)C1(Nc2nc(N3CCC([NH3+])CC3)cc[nH+]2)CC1 ZINC001155089497 815262753 /nfs/dbraw/zinc/26/27/53/815262753.db2.gz IIJJLZVWVGNTIJ-UHFFFAOYSA-N 2 1 276.344 -0.166 20 0 CBADMP NC(=O)c1cncc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155374000 815279106 /nfs/dbraw/zinc/27/91/06/815279106.db2.gz VLLNJEFTORHCQT-NSHDSACASA-N 2 1 290.371 -0.565 20 0 CBADMP [NH3+]Cc1cc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)ncn1 ZINC001155373453 815279766 /nfs/dbraw/zinc/27/97/66/815279766.db2.gz QYCLALRCCSFCPD-CYBMUJFWSA-N 3 1 276.388 -0.205 20 0 CBADMP Cn1ncc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001155789620 815311345 /nfs/dbraw/zinc/31/13/45/815311345.db2.gz FTAFSSGXZYLTNO-GFCCVEGCSA-N 2 1 280.376 -0.495 20 0 CBADMP Cn1ncnc1C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155790805 815312297 /nfs/dbraw/zinc/31/22/97/815312297.db2.gz NTBVPBCUARNYSO-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP CCn1cc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001155811798 815314435 /nfs/dbraw/zinc/31/44/35/815314435.db2.gz JPXMFBKYOPWYMO-ZDUSSCGKSA-N 2 1 294.403 -0.012 20 0 CBADMP Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001155811361 815314557 /nfs/dbraw/zinc/31/45/57/815314557.db2.gz HTNHZUAYNPTCCT-NSHDSACASA-N 2 1 280.376 -0.197 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001155822604 815315437 /nfs/dbraw/zinc/31/54/37/815315437.db2.gz VSFYOQZCAQTTKW-DGCLKSJQSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001155810516 815315639 /nfs/dbraw/zinc/31/56/39/815315639.db2.gz CIXSTIGIYLEPJI-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156125172 815338855 /nfs/dbraw/zinc/33/88/55/815338855.db2.gz KGVLPDMUBVTIQN-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156125172 815338861 /nfs/dbraw/zinc/33/88/61/815338861.db2.gz KGVLPDMUBVTIQN-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H]2CCCCO2)C1 ZINC001156125943 815338911 /nfs/dbraw/zinc/33/89/11/815338911.db2.gz QVOJGZRGMBPZNG-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H]2CCCCO2)C1 ZINC001156125943 815338918 /nfs/dbraw/zinc/33/89/18/815338918.db2.gz QVOJGZRGMBPZNG-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC2CCOCC2)C1 ZINC001156126335 815338942 /nfs/dbraw/zinc/33/89/42/815338942.db2.gz VVOPKZRPUDUUSL-CQSZACIVSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC2CCOCC2)C1 ZINC001156126335 815338949 /nfs/dbraw/zinc/33/89/49/815338949.db2.gz VVOPKZRPUDUUSL-CQSZACIVSA-N 2 1 299.415 -0.161 20 0 CBADMP COCCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156125603 815339180 /nfs/dbraw/zinc/33/91/80/815339180.db2.gz OSSXMEHZCYSTOO-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP COCCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156125603 815339187 /nfs/dbraw/zinc/33/91/87/815339187.db2.gz OSSXMEHZCYSTOO-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP Cc1ncoc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156152688 815339705 /nfs/dbraw/zinc/33/97/05/815339705.db2.gz WHJWQWDKMUKJLK-CYBMUJFWSA-N 2 1 296.371 -0.090 20 0 CBADMP Cc1ncoc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156152688 815339713 /nfs/dbraw/zinc/33/97/13/815339713.db2.gz WHJWQWDKMUKJLK-CYBMUJFWSA-N 2 1 296.371 -0.090 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC2CC2)C1 ZINC001156145891 815339794 /nfs/dbraw/zinc/33/97/94/815339794.db2.gz QKDHQPPBIUYDAQ-GFCCVEGCSA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC2CC2)C1 ZINC001156145891 815339801 /nfs/dbraw/zinc/33/98/01/815339801.db2.gz QKDHQPPBIUYDAQ-GFCCVEGCSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@H](O)CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156146296 815340139 /nfs/dbraw/zinc/34/01/39/815340139.db2.gz VJXDRJSBFBFWIC-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@H](O)CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156146296 815340144 /nfs/dbraw/zinc/34/01/44/815340144.db2.gz VJXDRJSBFBFWIC-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[C@H](C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)OC ZINC001156152209 815341566 /nfs/dbraw/zinc/34/15/66/815341566.db2.gz HUPONAGQUIJCLF-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@H](C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)OC ZINC001156152209 815341573 /nfs/dbraw/zinc/34/15/73/815341573.db2.gz HUPONAGQUIJCLF-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086101953 810241511 /nfs/dbraw/zinc/24/15/11/810241511.db2.gz CCIDLGKOQQTFEC-FRRDWIJNSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001086277132 810254838 /nfs/dbraw/zinc/25/48/38/810254838.db2.gz SQTFVEYEPFGCKR-IGQOVBAYSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001086277132 810254844 /nfs/dbraw/zinc/25/48/44/810254844.db2.gz SQTFVEYEPFGCKR-IGQOVBAYSA-N 2 1 299.415 -0.428 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086364967 810265662 /nfs/dbraw/zinc/26/56/62/810265662.db2.gz ZPZSEYZDXXCHPW-JHJVBQTASA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086478503 810274211 /nfs/dbraw/zinc/27/42/11/810274211.db2.gz QYMJANLNGVYRSQ-FIQHERPVSA-N 2 1 282.388 -0.846 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086478501 810274340 /nfs/dbraw/zinc/27/43/40/810274340.db2.gz QYMJANLNGVYRSQ-BJDJZHNGSA-N 2 1 282.388 -0.846 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001086552240 810279358 /nfs/dbraw/zinc/27/93/58/810279358.db2.gz ZLMNRZXPYOJWNS-YFKTTZPYSA-N 2 1 282.388 -0.704 20 0 CBADMP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001086543393 810279504 /nfs/dbraw/zinc/27/95/04/810279504.db2.gz VXTAZVICYHJYAC-YDHLFZDLSA-N 2 1 281.400 -0.051 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001086556357 810280324 /nfs/dbraw/zinc/28/03/24/810280324.db2.gz SQTFVEYEPFGCKR-XUXIUFHCSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001086556357 810280328 /nfs/dbraw/zinc/28/03/28/810280328.db2.gz SQTFVEYEPFGCKR-XUXIUFHCSA-N 2 1 299.415 -0.428 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCO)C2)O1 ZINC001086731482 810284833 /nfs/dbraw/zinc/28/48/33/810284833.db2.gz NGIZXFFTJPNWCV-XJFOESAGSA-N 2 1 299.415 -0.428 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCO)C2)O1 ZINC001086731482 810284836 /nfs/dbraw/zinc/28/48/36/810284836.db2.gz NGIZXFFTJPNWCV-XJFOESAGSA-N 2 1 299.415 -0.428 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088042716 810317336 /nfs/dbraw/zinc/31/73/36/810317336.db2.gz FOAPZMKLEGDGFO-KGLIPLIRSA-N 2 1 292.383 -0.036 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088042716 810317342 /nfs/dbraw/zinc/31/73/42/810317342.db2.gz FOAPZMKLEGDGFO-KGLIPLIRSA-N 2 1 292.383 -0.036 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088201951 810323691 /nfs/dbraw/zinc/32/36/91/810323691.db2.gz CPKVXILMXMVKRK-KGLIPLIRSA-N 2 1 292.383 -0.036 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088201951 810323696 /nfs/dbraw/zinc/32/36/96/810323696.db2.gz CPKVXILMXMVKRK-KGLIPLIRSA-N 2 1 292.383 -0.036 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CCO)[C@@H]2C)CC[NH+]1C ZINC001088577285 810344417 /nfs/dbraw/zinc/34/44/17/810344417.db2.gz KSGWWJULVFUCLO-LPWJVIDDSA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCO)[C@@H]2C)CC[N@@H+]1C ZINC001088577285 810344421 /nfs/dbraw/zinc/34/44/21/810344421.db2.gz KSGWWJULVFUCLO-LPWJVIDDSA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCO)[C@@H]2C)CC[N@H+]1C ZINC001088577285 810344426 /nfs/dbraw/zinc/34/44/26/810344426.db2.gz KSGWWJULVFUCLO-LPWJVIDDSA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(N)=O ZINC001088980560 810372067 /nfs/dbraw/zinc/37/20/67/810372067.db2.gz LIAQRMZHPPIAQD-UTUOFQBUSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(N)=O ZINC001088980560 810372074 /nfs/dbraw/zinc/37/20/74/810372074.db2.gz LIAQRMZHPPIAQD-UTUOFQBUSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(N)=O ZINC001088980560 810372079 /nfs/dbraw/zinc/37/20/79/810372079.db2.gz LIAQRMZHPPIAQD-UTUOFQBUSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(N)=O ZINC001088980560 810372085 /nfs/dbraw/zinc/37/20/85/810372085.db2.gz LIAQRMZHPPIAQD-UTUOFQBUSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N(C)C ZINC001089037505 810373137 /nfs/dbraw/zinc/37/31/37/810373137.db2.gz HGZLAQZLVGYKBZ-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N(C)C ZINC001089037505 810373143 /nfs/dbraw/zinc/37/31/43/810373143.db2.gz HGZLAQZLVGYKBZ-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N(C)C ZINC001089037505 810373152 /nfs/dbraw/zinc/37/31/52/810373152.db2.gz HGZLAQZLVGYKBZ-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N(C)C ZINC001089037505 810373159 /nfs/dbraw/zinc/37/31/59/810373159.db2.gz HGZLAQZLVGYKBZ-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001090390508 810487487 /nfs/dbraw/zinc/48/74/87/810487487.db2.gz HUDNCEYWCIRGPT-CHWSQXEVSA-N 2 1 297.399 -0.842 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001090390509 810488514 /nfs/dbraw/zinc/48/85/14/810488514.db2.gz HUDNCEYWCIRGPT-OLZOCXBDSA-N 2 1 297.399 -0.842 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090434402 810499183 /nfs/dbraw/zinc/49/91/83/810499183.db2.gz YSOSSKXIOKVBMO-CHWSQXEVSA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090434402 810499186 /nfs/dbraw/zinc/49/91/86/810499186.db2.gz YSOSSKXIOKVBMO-CHWSQXEVSA-N 2 1 296.371 -0.875 20 0 CBADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001090490663 810508536 /nfs/dbraw/zinc/50/85/36/810508536.db2.gz SUCYSZXOGQHFNB-OLZOCXBDSA-N 2 1 299.415 -0.596 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090536207 810517032 /nfs/dbraw/zinc/51/70/32/810517032.db2.gz BXXKSCOECGDUOO-STQMWFEESA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)CC1 ZINC001090539508 810519664 /nfs/dbraw/zinc/51/96/64/810519664.db2.gz YKLARNPZTKUAKN-ZIAGYGMSSA-N 2 1 299.415 -0.738 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090812226 810568846 /nfs/dbraw/zinc/56/88/46/810568846.db2.gz FXUSMVUSNYFALT-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090812225 810569250 /nfs/dbraw/zinc/56/92/50/810569250.db2.gz FXUSMVUSNYFALT-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808460 810570936 /nfs/dbraw/zinc/57/09/36/810570936.db2.gz LHERDACKEPWCFF-STQMWFEESA-N 2 1 296.371 -0.611 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808460 810570941 /nfs/dbraw/zinc/57/09/41/810570941.db2.gz LHERDACKEPWCFF-STQMWFEESA-N 2 1 296.371 -0.611 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001090957178 810582349 /nfs/dbraw/zinc/58/23/49/810582349.db2.gz YIWBXRAGOLWRLZ-VQXHTEKXSA-N 2 1 268.361 -0.950 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCF)C2)C1 ZINC001090970500 810583425 /nfs/dbraw/zinc/58/34/25/810583425.db2.gz BBBCKFBOLRNACE-HTAVTVPLSA-N 2 1 273.352 -0.229 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCF)C2)C1 ZINC001090970500 810583429 /nfs/dbraw/zinc/58/34/29/810583429.db2.gz BBBCKFBOLRNACE-HTAVTVPLSA-N 2 1 273.352 -0.229 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001091037536 810586781 /nfs/dbraw/zinc/58/67/81/810586781.db2.gz MOXJYQXVWGYNMS-HBIQZDMRSA-N 2 1 282.388 -0.704 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NCC2CC([NH2+]CCO)C2)no1 ZINC001091110900 810593500 /nfs/dbraw/zinc/59/35/00/810593500.db2.gz ZVNSALFUFPKSIS-UHFFFAOYSA-N 2 1 296.371 -0.174 20 0 CBADMP CC[NH+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890773 815388423 /nfs/dbraw/zinc/38/84/23/815388423.db2.gz SGVOIKVMLCLUHK-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCO)C[C@@]3(C)C2)C1 ZINC001091565380 810613172 /nfs/dbraw/zinc/61/31/72/810613172.db2.gz MVYXHOFNXNQHFJ-NFAWXSAZSA-N 2 1 297.399 -0.910 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCO)C[C@@]3(C)C2)C1 ZINC001091565380 810613174 /nfs/dbraw/zinc/61/31/74/810613174.db2.gz MVYXHOFNXNQHFJ-NFAWXSAZSA-N 2 1 297.399 -0.910 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CCO)C[C@@]3(C)C2)C1 ZINC001091565380 810613177 /nfs/dbraw/zinc/61/31/77/810613177.db2.gz MVYXHOFNXNQHFJ-NFAWXSAZSA-N 2 1 297.399 -0.910 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCO)C[C@@]3(C)C2)C1 ZINC001091565380 810613178 /nfs/dbraw/zinc/61/31/78/810613178.db2.gz MVYXHOFNXNQHFJ-NFAWXSAZSA-N 2 1 297.399 -0.910 20 0 CBADMP COCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092524205 810632650 /nfs/dbraw/zinc/63/26/50/810632650.db2.gz TUKCEXAKRATTJF-MGPQQGTHSA-N 2 1 299.415 -0.353 20 0 CBADMP COCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092524205 810632653 /nfs/dbraw/zinc/63/26/53/810632653.db2.gz TUKCEXAKRATTJF-MGPQQGTHSA-N 2 1 299.415 -0.353 20 0 CBADMP COCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092524205 810632656 /nfs/dbraw/zinc/63/26/56/810632656.db2.gz TUKCEXAKRATTJF-MGPQQGTHSA-N 2 1 299.415 -0.353 20 0 CBADMP COCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092524205 810632659 /nfs/dbraw/zinc/63/26/59/810632659.db2.gz TUKCEXAKRATTJF-MGPQQGTHSA-N 2 1 299.415 -0.353 20 0 CBADMP COCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092524201 810632795 /nfs/dbraw/zinc/63/27/95/810632795.db2.gz TUKCEXAKRATTJF-MCIONIFRSA-N 2 1 299.415 -0.353 20 0 CBADMP COCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092524201 810632798 /nfs/dbraw/zinc/63/27/98/810632798.db2.gz TUKCEXAKRATTJF-MCIONIFRSA-N 2 1 299.415 -0.353 20 0 CBADMP COCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092524201 810632803 /nfs/dbraw/zinc/63/28/03/810632803.db2.gz TUKCEXAKRATTJF-MCIONIFRSA-N 2 1 299.415 -0.353 20 0 CBADMP COCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092524201 810632807 /nfs/dbraw/zinc/63/28/07/810632807.db2.gz TUKCEXAKRATTJF-MCIONIFRSA-N 2 1 299.415 -0.353 20 0 CBADMP C[NH+]1CCN(c2nccc(-n3ccc(C[NH3+])cc3=N)n2)CC1 ZINC001156852864 815385068 /nfs/dbraw/zinc/38/50/68/815385068.db2.gz JDXWDESSWJWEBE-UHFFFAOYSA-N 2 1 299.382 -0.043 20 0 CBADMP CC[N@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890773 815388406 /nfs/dbraw/zinc/38/84/06/815388406.db2.gz SGVOIKVMLCLUHK-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890773 815388412 /nfs/dbraw/zinc/38/84/12/815388412.db2.gz SGVOIKVMLCLUHK-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[NH+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890773 815388418 /nfs/dbraw/zinc/38/84/18/815388418.db2.gz SGVOIKVMLCLUHK-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001096586364 810782042 /nfs/dbraw/zinc/78/20/42/810782042.db2.gz XTHRNXFXSHHULU-RFGFWPKPSA-N 2 1 297.399 -0.579 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001096586364 810782050 /nfs/dbraw/zinc/78/20/50/810782050.db2.gz XTHRNXFXSHHULU-RFGFWPKPSA-N 2 1 297.399 -0.579 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)C1 ZINC001096586364 810782055 /nfs/dbraw/zinc/78/20/55/810782055.db2.gz XTHRNXFXSHHULU-RFGFWPKPSA-N 2 1 297.399 -0.579 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1 ZINC001096586364 810782060 /nfs/dbraw/zinc/78/20/60/810782060.db2.gz XTHRNXFXSHHULU-RFGFWPKPSA-N 2 1 297.399 -0.579 20 0 CBADMP COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(C)CCO1)C2 ZINC001096914564 810790385 /nfs/dbraw/zinc/79/03/85/810790385.db2.gz YVFJWWYYKXVHIF-MQYQWHSLSA-N 2 1 297.399 -0.315 20 0 CBADMP CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001096880530 810790435 /nfs/dbraw/zinc/79/04/35/810790435.db2.gz MJPZJBHMWMMHCF-FVCCEPFGSA-N 2 1 267.373 -0.206 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCO ZINC001096880530 810790445 /nfs/dbraw/zinc/79/04/45/810790445.db2.gz MJPZJBHMWMMHCF-FVCCEPFGSA-N 2 1 267.373 -0.206 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCO ZINC001096880530 810790454 /nfs/dbraw/zinc/79/04/54/810790454.db2.gz MJPZJBHMWMMHCF-FVCCEPFGSA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001096880530 810790460 /nfs/dbraw/zinc/79/04/60/810790460.db2.gz MJPZJBHMWMMHCF-FVCCEPFGSA-N 2 1 267.373 -0.206 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH+](CCO)CCO)CC2)C1 ZINC001098560832 810851421 /nfs/dbraw/zinc/85/14/21/810851421.db2.gz CZEXXNBIZGNNQN-ZDUSSCGKSA-N 2 1 299.415 -0.784 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCO)C3)C1 ZINC001099161167 810865900 /nfs/dbraw/zinc/86/59/00/810865900.db2.gz ZBQSQQQHGJNOKI-IPYPFGDCSA-N 2 1 281.400 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCO)C3)C1 ZINC001099161167 810865907 /nfs/dbraw/zinc/86/59/07/810865907.db2.gz ZBQSQQQHGJNOKI-IPYPFGDCSA-N 2 1 281.400 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCO)C3)C1 ZINC001099161167 810865915 /nfs/dbraw/zinc/86/59/15/810865915.db2.gz ZBQSQQQHGJNOKI-IPYPFGDCSA-N 2 1 281.400 -0.099 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CCO)C[C@H]1O ZINC001099898428 810961720 /nfs/dbraw/zinc/96/17/20/810961720.db2.gz BGNJIANNVCMGFU-VXGBXAGGSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099898428 810961725 /nfs/dbraw/zinc/96/17/25/810961725.db2.gz BGNJIANNVCMGFU-VXGBXAGGSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099898428 810961730 /nfs/dbraw/zinc/96/17/30/810961730.db2.gz BGNJIANNVCMGFU-VXGBXAGGSA-N 2 1 287.404 -0.740 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971861 810982832 /nfs/dbraw/zinc/98/28/32/810982832.db2.gz NLHSUZXFDCNPNT-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986905 810985699 /nfs/dbraw/zinc/98/56/99/810985699.db2.gz REDPXZNCAPGSHP-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099988338 810986459 /nfs/dbraw/zinc/98/64/59/810986459.db2.gz HDUUTXDMSLKOIE-NWDGAFQWSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CC)C[C@H]1O ZINC001100041772 811000441 /nfs/dbraw/zinc/00/04/41/811000441.db2.gz NZAGXPXCCKCXSV-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100050097 811005550 /nfs/dbraw/zinc/00/55/50/811005550.db2.gz BXHCDUGSJCXVQN-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001100065184 811009967 /nfs/dbraw/zinc/00/99/67/811009967.db2.gz YUXLOQSJFAFOQD-VXGBXAGGSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCF)C[C@H]1O ZINC001100065184 811009951 /nfs/dbraw/zinc/00/99/51/811009951.db2.gz YUXLOQSJFAFOQD-VXGBXAGGSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCF)C[C@H]1O ZINC001100065184 811009955 /nfs/dbraw/zinc/00/99/55/811009955.db2.gz YUXLOQSJFAFOQD-VXGBXAGGSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001100065184 811009963 /nfs/dbraw/zinc/00/99/63/811009963.db2.gz YUXLOQSJFAFOQD-VXGBXAGGSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCOC)C[C@H]1O ZINC001100064169 811010154 /nfs/dbraw/zinc/01/01/54/811010154.db2.gz JHFNJXVKUQLXSW-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCOC)C[C@H]1O ZINC001100064169 811010160 /nfs/dbraw/zinc/01/01/60/811010160.db2.gz JHFNJXVKUQLXSW-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001100064169 811010166 /nfs/dbraw/zinc/01/01/66/811010166.db2.gz JHFNJXVKUQLXSW-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCOC)C[C@H]1O ZINC001100064171 811010472 /nfs/dbraw/zinc/01/04/72/811010472.db2.gz JHFNJXVKUQLXSW-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCOC)C[C@H]1O ZINC001100064171 811010476 /nfs/dbraw/zinc/01/04/76/811010476.db2.gz JHFNJXVKUQLXSW-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001100064171 811010480 /nfs/dbraw/zinc/01/04/80/811010480.db2.gz JHFNJXVKUQLXSW-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001100077020 811014268 /nfs/dbraw/zinc/01/42/68/811014268.db2.gz WQQVYLZZPDMSGV-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001100076354 811014535 /nfs/dbraw/zinc/01/45/35/811014535.db2.gz KCROOEZYSMDMOQ-NWDGAFQWSA-N 2 1 291.367 -0.915 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001100076354 811014540 /nfs/dbraw/zinc/01/45/40/811014540.db2.gz KCROOEZYSMDMOQ-NWDGAFQWSA-N 2 1 291.367 -0.915 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100077241 811015108 /nfs/dbraw/zinc/01/51/08/811015108.db2.gz ZIRWYRLZZKQGAO-CHWSQXEVSA-N 2 1 287.404 -0.738 20 0 CBADMP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001100185761 811034240 /nfs/dbraw/zinc/03/42/40/811034240.db2.gz NDYSOOIYFFKIEN-WXRRBKDZSA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCCO)C2)C1 ZINC001100212063 811038839 /nfs/dbraw/zinc/03/88/39/811038839.db2.gz LYIUUYQSORWKCS-BPCQOVAHSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCCO)C2)C1 ZINC001100212063 811038846 /nfs/dbraw/zinc/03/88/46/811038846.db2.gz LYIUUYQSORWKCS-BPCQOVAHSA-N 2 1 285.388 -0.816 20 0 CBADMP C[C@H]([NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001100410696 811056549 /nfs/dbraw/zinc/05/65/49/811056549.db2.gz ITPHIHPJOXGWTJ-UNXYVOJBSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001100458998 811058614 /nfs/dbraw/zinc/05/86/14/811058614.db2.gz PPKGQNBCGFIQQE-UHFFFAOYSA-N 2 1 298.431 -0.053 20 0 CBADMP Cn1nnnc1C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100636976 811069488 /nfs/dbraw/zinc/06/94/88/811069488.db2.gz USUJINVWAYUQND-UHFFFAOYSA-N 2 1 295.391 -0.854 20 0 CBADMP CNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001100678338 811071487 /nfs/dbraw/zinc/07/14/87/811071487.db2.gz HQJDWVLEDAJRRV-HIFPTAJRSA-N 2 1 296.415 -0.441 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001100827786 811080956 /nfs/dbraw/zinc/08/09/56/811080956.db2.gz UBMCPFZKJSEVPQ-VOMCLLRMSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001100829610 811081627 /nfs/dbraw/zinc/08/16/27/811081627.db2.gz CMTUPHCMXPKOPS-WXRRBKDZSA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001100896902 811084460 /nfs/dbraw/zinc/08/44/60/811084460.db2.gz QUZDNJQXUBRPNF-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100981103 811089065 /nfs/dbraw/zinc/08/90/65/811089065.db2.gz VRCABLAWNXJLEG-MOENNCHZSA-N 2 1 282.388 -0.832 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101350871 811104160 /nfs/dbraw/zinc/10/41/60/811104160.db2.gz IAIQXBAHWLBFAN-DOMZBBRYSA-N 2 1 296.415 -0.536 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102513941 811159485 /nfs/dbraw/zinc/15/94/85/811159485.db2.gz HDJBHAAGSGLBOB-JHJVBQTASA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102513941 811159492 /nfs/dbraw/zinc/15/94/92/811159492.db2.gz HDJBHAAGSGLBOB-JHJVBQTASA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102513941 811159500 /nfs/dbraw/zinc/15/95/00/811159500.db2.gz HDJBHAAGSGLBOB-JHJVBQTASA-N 2 1 296.415 -0.502 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001102579280 811160940 /nfs/dbraw/zinc/16/09/40/811160940.db2.gz QINVVCOASCASNR-DGCLKSJQSA-N 2 1 280.372 -0.132 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001102579280 811160946 /nfs/dbraw/zinc/16/09/46/811160946.db2.gz QINVVCOASCASNR-DGCLKSJQSA-N 2 1 280.372 -0.132 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1C ZINC001102600344 811161399 /nfs/dbraw/zinc/16/13/99/811161399.db2.gz AELQBXKFFWOZEA-JHJVBQTASA-N 2 1 298.431 -0.116 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001102600344 811161405 /nfs/dbraw/zinc/16/14/05/811161405.db2.gz AELQBXKFFWOZEA-JHJVBQTASA-N 2 1 298.431 -0.116 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001102600344 811161408 /nfs/dbraw/zinc/16/14/08/811161408.db2.gz AELQBXKFFWOZEA-JHJVBQTASA-N 2 1 298.431 -0.116 20 0 CBADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001103445149 811183366 /nfs/dbraw/zinc/18/33/66/811183366.db2.gz ZZGSFFLBOQJOSR-UPJWGTAASA-N 2 1 298.431 -0.114 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n[nH]1 ZINC001157439704 815433913 /nfs/dbraw/zinc/43/39/13/815433913.db2.gz MIYOOOYFIMKEMD-SNVBAGLBSA-N 3 1 279.348 -0.729 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCO ZINC001105945274 811281696 /nfs/dbraw/zinc/28/16/96/811281696.db2.gz RSPPWVLTTYQWDO-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP C[NH+]1CCN(C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC1 ZINC001157451032 815435401 /nfs/dbraw/zinc/43/54/01/815435401.db2.gz JJEXLXCXNXQGAY-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CC(N)=O ZINC001106323088 811303967 /nfs/dbraw/zinc/30/39/67/811303967.db2.gz XQOFHYXOBLNKPC-UPJWGTAASA-N 2 1 296.415 -0.360 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001106905706 811318474 /nfs/dbraw/zinc/31/84/74/811318474.db2.gz DNGHQVMQZOXXDM-CHWSQXEVSA-N 2 1 298.431 -0.242 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107038932 811322576 /nfs/dbraw/zinc/32/25/76/811322576.db2.gz HJHZWNVPWSAUQN-CHWSQXEVSA-N 2 1 298.431 -0.243 20 0 CBADMP COC(=O)N1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001157508750 815440244 /nfs/dbraw/zinc/44/02/44/815440244.db2.gz ZAIUGCUMDHOJGY-UHFFFAOYSA-N 2 1 284.360 -0.761 20 0 CBADMP [NH3+][C@H]1CN(C(=O)c2cnn3c2C[NH2+]CC3)C[C@H]1F ZINC001157559808 815445241 /nfs/dbraw/zinc/44/52/41/815445241.db2.gz KOFGLKDUALUFIA-BDAKNGLRSA-N 2 1 253.281 -0.893 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@]1(C)C[NH+](CCO)CCO1 ZINC001108325754 811439603 /nfs/dbraw/zinc/43/96/03/811439603.db2.gz USEVATWJQVIDQS-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@]1(C)C[NH+](CCO)CCO1 ZINC001108325754 811439605 /nfs/dbraw/zinc/43/96/05/811439605.db2.gz USEVATWJQVIDQS-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108325754 811439610 /nfs/dbraw/zinc/43/96/10/811439610.db2.gz USEVATWJQVIDQS-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108325754 811439612 /nfs/dbraw/zinc/43/96/12/811439612.db2.gz USEVATWJQVIDQS-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP COCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108394141 811443826 /nfs/dbraw/zinc/44/38/26/811443826.db2.gz FVMINDCZBSFFEV-ZFWWWQNUSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108394141 811443831 /nfs/dbraw/zinc/44/38/31/811443831.db2.gz FVMINDCZBSFFEV-ZFWWWQNUSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001108394141 811443834 /nfs/dbraw/zinc/44/38/34/811443834.db2.gz FVMINDCZBSFFEV-ZFWWWQNUSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001108394141 811443837 /nfs/dbraw/zinc/44/38/37/811443837.db2.gz FVMINDCZBSFFEV-ZFWWWQNUSA-N 2 1 299.415 -0.208 20 0 CBADMP C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109978988 811505677 /nfs/dbraw/zinc/50/56/77/811505677.db2.gz OFDRQHNCMSIRQO-MQYQWHSLSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(N)=O ZINC001110016617 811506297 /nfs/dbraw/zinc/50/62/97/811506297.db2.gz WRFUZMAEPFYKPC-RNJOBUHISA-N 2 1 296.415 -0.077 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(N)=O ZINC001110016617 811506300 /nfs/dbraw/zinc/50/63/00/811506300.db2.gz WRFUZMAEPFYKPC-RNJOBUHISA-N 2 1 296.415 -0.077 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(N)=O ZINC001110016617 811506304 /nfs/dbraw/zinc/50/63/04/811506304.db2.gz WRFUZMAEPFYKPC-RNJOBUHISA-N 2 1 296.415 -0.077 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(N)=O ZINC001110016617 811506310 /nfs/dbraw/zinc/50/63/10/811506310.db2.gz WRFUZMAEPFYKPC-RNJOBUHISA-N 2 1 296.415 -0.077 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(N)=O ZINC001110157153 811510439 /nfs/dbraw/zinc/51/04/39/811510439.db2.gz LHPYOPIURCSMCA-RNJOBUHISA-N 2 1 296.415 -0.078 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(N)=O ZINC001110157153 811510446 /nfs/dbraw/zinc/51/04/46/811510446.db2.gz LHPYOPIURCSMCA-RNJOBUHISA-N 2 1 296.415 -0.078 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(N)=O ZINC001110157153 811510451 /nfs/dbraw/zinc/51/04/51/811510451.db2.gz LHPYOPIURCSMCA-RNJOBUHISA-N 2 1 296.415 -0.078 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(N)=O ZINC001110157153 811510454 /nfs/dbraw/zinc/51/04/54/811510454.db2.gz LHPYOPIURCSMCA-RNJOBUHISA-N 2 1 296.415 -0.078 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCOCC(F)(F)C1 ZINC001157707926 815453736 /nfs/dbraw/zinc/45/37/36/815453736.db2.gz AOAGXHDPXCYIJE-UHFFFAOYSA-N 2 1 277.315 -0.178 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981648 811536186 /nfs/dbraw/zinc/53/61/86/811536186.db2.gz WOMWFZATZHXMJR-LPWJVIDDSA-N 2 1 296.415 -0.206 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981648 811536189 /nfs/dbraw/zinc/53/61/89/811536189.db2.gz WOMWFZATZHXMJR-LPWJVIDDSA-N 2 1 296.415 -0.206 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981647 811536438 /nfs/dbraw/zinc/53/64/38/811536438.db2.gz WOMWFZATZHXMJR-LOWDOPEQSA-N 2 1 296.415 -0.206 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981647 811536442 /nfs/dbraw/zinc/53/64/42/811536442.db2.gz WOMWFZATZHXMJR-LOWDOPEQSA-N 2 1 296.415 -0.206 20 0 CBADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)c1ccc([C@H]([NH3+])CN)cc1 ZINC001157720229 815456576 /nfs/dbraw/zinc/45/65/76/815456576.db2.gz DBAWKQPSJUEPRR-UONOGXRCSA-N 2 1 292.383 -0.295 20 0 CBADMP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC001157730814 815459454 /nfs/dbraw/zinc/45/94/54/815459454.db2.gz PLCHXSABUUALTN-DGCLKSJQSA-N 2 1 283.351 -0.041 20 0 CBADMP COC[C@@H](O)C[NH+]1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001113275431 811629306 /nfs/dbraw/zinc/62/93/06/811629306.db2.gz MPRAMSFQHGJYBK-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP COC[C@@H](O)C[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001113543913 811645422 /nfs/dbraw/zinc/64/54/22/811645422.db2.gz LPVCZXNIQYWDIN-ZDUSSCGKSA-N 2 1 297.399 -0.766 20 0 CBADMP COCCC[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113538210 811645874 /nfs/dbraw/zinc/64/58/74/811645874.db2.gz CCDRBFXYWOKICI-UHFFFAOYSA-N 2 1 287.404 -0.255 20 0 CBADMP COC[C@H](C)[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113545530 811647280 /nfs/dbraw/zinc/64/72/80/811647280.db2.gz UQPYATKPWCGSNW-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157755889 815463313 /nfs/dbraw/zinc/46/33/13/815463313.db2.gz UFRPEODYPZLVDG-OCCSQVGLSA-N 2 1 286.395 -0.088 20 0 CBADMP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCN2C)C[C@@H]1[NH3+] ZINC001157810385 815469332 /nfs/dbraw/zinc/46/93/32/815469332.db2.gz NBUJJKUFRXRUKR-WOPDTQHZSA-N 2 1 254.378 -0.572 20 0 CBADMP COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114091391 811716756 /nfs/dbraw/zinc/71/67/56/811716756.db2.gz VYUUKMLWLILZLD-RQJABVFESA-N 2 1 297.399 -0.600 20 0 CBADMP COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114091391 811716762 /nfs/dbraw/zinc/71/67/62/811716762.db2.gz VYUUKMLWLILZLD-RQJABVFESA-N 2 1 297.399 -0.600 20 0 CBADMP COCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001114091391 811716768 /nfs/dbraw/zinc/71/67/68/811716768.db2.gz VYUUKMLWLILZLD-RQJABVFESA-N 2 1 297.399 -0.600 20 0 CBADMP COCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001114091391 811716771 /nfs/dbraw/zinc/71/67/71/811716771.db2.gz VYUUKMLWLILZLD-RQJABVFESA-N 2 1 297.399 -0.600 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC001157810763 815469775 /nfs/dbraw/zinc/46/97/75/815469775.db2.gz URHJEDOWNZCOCL-WOPDTQHZSA-N 2 1 283.372 -0.323 20 0 CBADMP C[C@@H]1CCN(C(=O)c2cnn3c2C[NH2+]CC3)C[C@@H]1[NH3+] ZINC001157829545 815469945 /nfs/dbraw/zinc/46/99/45/815469945.db2.gz VNWULTJLXLCQJW-KOLCDFICSA-N 2 1 263.345 -0.204 20 0 CBADMP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001157844304 815470593 /nfs/dbraw/zinc/47/05/93/815470593.db2.gz VWXOMMRBBJAHRM-SCVCMEIPSA-N 2 1 265.361 -0.135 20 0 CBADMP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001157850335 815471963 /nfs/dbraw/zinc/47/19/63/815471963.db2.gz XXIBJIJQEIMVGP-BZPMIXESSA-N 2 1 297.447 -0.677 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001114439772 811749442 /nfs/dbraw/zinc/74/94/42/811749442.db2.gz NWNPQNBNDDIRGN-YGNMPJRFSA-N 2 1 282.388 -0.896 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001114439772 811749447 /nfs/dbraw/zinc/74/94/47/811749447.db2.gz NWNPQNBNDDIRGN-YGNMPJRFSA-N 2 1 282.388 -0.896 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114462845 811750043 /nfs/dbraw/zinc/75/00/43/811750043.db2.gz BKPBHEXSAPRISW-CZXHOFHRSA-N 2 1 296.415 -0.491 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114462845 811750050 /nfs/dbraw/zinc/75/00/50/811750050.db2.gz BKPBHEXSAPRISW-CZXHOFHRSA-N 2 1 296.415 -0.491 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@@H](O)[C@H](F)C1 ZINC001157854965 815473235 /nfs/dbraw/zinc/47/32/35/815473235.db2.gz KPDOFXJOTLNHPL-GHMZBOCLSA-N 2 1 259.325 -0.741 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001157887186 815476534 /nfs/dbraw/zinc/47/65/34/815476534.db2.gz SCKIZSVLVGQYSA-RYUDHWBXSA-N 2 1 284.404 -0.171 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001157887867 815477149 /nfs/dbraw/zinc/47/71/49/815477149.db2.gz ZGGHVSUPJYPAFX-LLVKDONJSA-N 2 1 270.377 -0.560 20 0 CBADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2nc[nH]c2C1 ZINC001157922557 815483248 /nfs/dbraw/zinc/48/32/48/815483248.db2.gz RBGIZNJBFWZGGD-NSHDSACASA-N 2 1 292.387 -0.955 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070149 815500118 /nfs/dbraw/zinc/50/01/18/815500118.db2.gz BYPFYEXHPYNNDR-NSHDSACASA-N 2 1 299.371 -0.752 20 0 CBADMP NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158036860 815500455 /nfs/dbraw/zinc/50/04/55/815500455.db2.gz FQNJDBXYOLAIFT-RYUDHWBXSA-N 2 1 282.388 -0.558 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070862 815500577 /nfs/dbraw/zinc/50/05/77/815500577.db2.gz PKSFBQDPRXOMML-UHFFFAOYSA-N 3 1 296.415 -0.691 20 0 CBADMP [NH3+][C@H](C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)c1ccccc1 ZINC001158091749 815504406 /nfs/dbraw/zinc/50/44/06/815504406.db2.gz HYTPAILEJOSKMH-ZFWWWQNUSA-N 2 1 288.351 -0.623 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114746454 812156332 /nfs/dbraw/zinc/15/63/32/812156332.db2.gz STRUQUZXQKTMDY-DCQANWLSSA-N 2 1 282.388 -0.752 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114746454 812156334 /nfs/dbraw/zinc/15/63/34/812156334.db2.gz STRUQUZXQKTMDY-DCQANWLSSA-N 2 1 282.388 -0.752 20 0 CBADMP Cn1nccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114773826 812158847 /nfs/dbraw/zinc/15/88/47/812158847.db2.gz CSDAPKWBCSCQRX-NHAGDIPZSA-N 2 1 291.399 -0.082 20 0 CBADMP Cn1nccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114773826 812158853 /nfs/dbraw/zinc/15/88/53/812158853.db2.gz CSDAPKWBCSCQRX-NHAGDIPZSA-N 2 1 291.399 -0.082 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778025 812159491 /nfs/dbraw/zinc/15/94/91/812159491.db2.gz DASQHGQDUZUKBD-XZUYRWCXSA-N 2 1 282.388 -0.752 20 0 CBADMP 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 812160103 /nfs/dbraw/zinc/16/01/03/812160103.db2.gz WGMAMGGMFBENRD-NMKXLXIOSA-N 2 1 296.415 -0.539 20 0 CBADMP C[N@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21)CC(C)(C)C ZINC001114839517 812162705 /nfs/dbraw/zinc/16/27/05/812162705.db2.gz CQNGSBRABWCVMK-YABSGUDNSA-N 2 1 296.415 -0.504 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21)CC(C)(C)C ZINC001114839517 812162710 /nfs/dbraw/zinc/16/27/10/812162710.db2.gz CQNGSBRABWCVMK-YABSGUDNSA-N 2 1 296.415 -0.504 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)CC(C)(C)C ZINC001114839517 812162714 /nfs/dbraw/zinc/16/27/14/812162714.db2.gz CQNGSBRABWCVMK-YABSGUDNSA-N 2 1 296.415 -0.504 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)CC(C)(C)C ZINC001114839517 812162720 /nfs/dbraw/zinc/16/27/20/812162720.db2.gz CQNGSBRABWCVMK-YABSGUDNSA-N 2 1 296.415 -0.504 20 0 CBADMP 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 812164332 /nfs/dbraw/zinc/16/43/32/812164332.db2.gz JUVFAJCFWBFBLH-PDWCTOEPSA-N 2 1 299.415 -0.620 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001114991842 812172357 /nfs/dbraw/zinc/17/23/57/812172357.db2.gz KGOMOHFITBFUEK-YABSGUDNSA-N 2 1 282.388 -0.879 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001114991842 812172360 /nfs/dbraw/zinc/17/23/60/812172360.db2.gz KGOMOHFITBFUEK-YABSGUDNSA-N 2 1 282.388 -0.879 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001114998707 812173512 /nfs/dbraw/zinc/17/35/12/812173512.db2.gz UWMKQPUZZZPERK-MEWQQHAOSA-N 2 1 282.388 -0.752 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001114998707 812173515 /nfs/dbraw/zinc/17/35/15/812173515.db2.gz UWMKQPUZZZPERK-MEWQQHAOSA-N 2 1 282.388 -0.752 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](O)COC)C[C@H]21 ZINC001115080704 812178006 /nfs/dbraw/zinc/17/80/06/812178006.db2.gz CPOYJYHLMKJEOR-CXTNEJHOSA-N 2 1 299.415 -0.618 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001115080704 812178009 /nfs/dbraw/zinc/17/80/09/812178009.db2.gz CPOYJYHLMKJEOR-CXTNEJHOSA-N 2 1 299.415 -0.618 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001115080704 812178016 /nfs/dbraw/zinc/17/80/16/812178016.db2.gz CPOYJYHLMKJEOR-CXTNEJHOSA-N 2 1 299.415 -0.618 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126407 812180223 /nfs/dbraw/zinc/18/02/23/812180223.db2.gz NGIJMCFHYZIRJQ-RMRHIDDWSA-N 2 1 299.415 -0.354 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115127058 812180400 /nfs/dbraw/zinc/18/04/00/812180400.db2.gz ZZYYNNWLXSTINH-RMRHIDDWSA-N 2 1 299.415 -0.354 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001115151607 812181303 /nfs/dbraw/zinc/18/13/03/812181303.db2.gz ISHJLICEHXRANZ-YABSGUDNSA-N 2 1 282.388 -0.750 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001115151607 812181311 /nfs/dbraw/zinc/18/13/11/812181311.db2.gz ISHJLICEHXRANZ-YABSGUDNSA-N 2 1 282.388 -0.750 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115151607 812181313 /nfs/dbraw/zinc/18/13/13/812181313.db2.gz ISHJLICEHXRANZ-YABSGUDNSA-N 2 1 282.388 -0.750 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115151607 812181319 /nfs/dbraw/zinc/18/13/19/812181319.db2.gz ISHJLICEHXRANZ-YABSGUDNSA-N 2 1 282.388 -0.750 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](O)COC)C[C@H]21 ZINC001115160042 812183302 /nfs/dbraw/zinc/18/33/02/812183302.db2.gz NYZBVGGNPULLQF-CXTNEJHOSA-N 2 1 299.415 -0.618 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001115160042 812183308 /nfs/dbraw/zinc/18/33/08/812183308.db2.gz NYZBVGGNPULLQF-CXTNEJHOSA-N 2 1 299.415 -0.618 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001115160042 812183315 /nfs/dbraw/zinc/18/33/15/812183315.db2.gz NYZBVGGNPULLQF-CXTNEJHOSA-N 2 1 299.415 -0.618 20 0 CBADMP 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 812183485 /nfs/dbraw/zinc/18/34/85/812183485.db2.gz CSYDOEODSPQMRQ-CZXHOFHRSA-N 2 1 296.415 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@H]21 ZINC001115161327 812183494 /nfs/dbraw/zinc/18/34/94/812183494.db2.gz CSYDOEODSPQMRQ-CZXHOFHRSA-N 2 1 296.415 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@H]21 ZINC001115161327 812183498 /nfs/dbraw/zinc/18/34/98/812183498.db2.gz CSYDOEODSPQMRQ-CZXHOFHRSA-N 2 1 296.415 -0.362 20 0 CBADMP COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241846 812187149 /nfs/dbraw/zinc/18/71/49/812187149.db2.gz PPUBVMSTCFDQOI-CXTNEJHOSA-N 2 1 297.399 -0.864 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001115300388 812189687 /nfs/dbraw/zinc/18/96/87/812189687.db2.gz QVCCDFVMJAQZCW-IMRBUKKESA-N 2 1 269.389 -0.245 20 0 CBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115292777 812189510 /nfs/dbraw/zinc/18/95/10/812189510.db2.gz VGQGFALCXPZJSR-NHAGDIPZSA-N 2 1 281.400 -0.099 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC001115300388 812189682 /nfs/dbraw/zinc/18/96/82/812189682.db2.gz QVCCDFVMJAQZCW-IMRBUKKESA-N 2 1 269.389 -0.245 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001115300388 812189693 /nfs/dbraw/zinc/18/96/93/812189693.db2.gz QVCCDFVMJAQZCW-IMRBUKKESA-N 2 1 269.389 -0.245 20 0 CBADMP 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 812190379 /nfs/dbraw/zinc/19/03/79/812190379.db2.gz PFAJCTCHGVEXND-CIQGVGRVSA-N 2 1 269.389 -0.246 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](C)O)C[C@H]21 ZINC001115304192 812190382 /nfs/dbraw/zinc/19/03/82/812190382.db2.gz PFAJCTCHGVEXND-CIQGVGRVSA-N 2 1 269.389 -0.246 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](C)O)C[C@H]21 ZINC001115304192 812190387 /nfs/dbraw/zinc/19/03/87/812190387.db2.gz PFAJCTCHGVEXND-CIQGVGRVSA-N 2 1 269.389 -0.246 20 0 CBADMP 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 812190430 /nfs/dbraw/zinc/19/04/30/812190430.db2.gz JOKPEBMNKZIZDF-JYAVWHMHSA-N 2 1 296.415 -0.539 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001115303766 812190437 /nfs/dbraw/zinc/19/04/37/812190437.db2.gz JOKPEBMNKZIZDF-JYAVWHMHSA-N 2 1 296.415 -0.539 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001115303766 812190440 /nfs/dbraw/zinc/19/04/40/812190440.db2.gz JOKPEBMNKZIZDF-JYAVWHMHSA-N 2 1 296.415 -0.539 20 0 CBADMP 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 812190557 /nfs/dbraw/zinc/19/05/57/812190557.db2.gz RUZZRBFOLKLZDP-CXTNEJHOSA-N 2 1 299.415 -0.620 20 0 CBADMP COC[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115304494 812190561 /nfs/dbraw/zinc/19/05/61/812190561.db2.gz RUZZRBFOLKLZDP-CXTNEJHOSA-N 2 1 299.415 -0.620 20 0 CBADMP COC[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115304494 812190564 /nfs/dbraw/zinc/19/05/64/812190564.db2.gz RUZZRBFOLKLZDP-CXTNEJHOSA-N 2 1 299.415 -0.620 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH+]1CC=CC1 ZINC001116186055 812228798 /nfs/dbraw/zinc/22/87/98/812228798.db2.gz JWVLFSFBIYYDTG-UHFFFAOYSA-N 2 1 253.346 -0.303 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)CC2 ZINC001158347128 815521374 /nfs/dbraw/zinc/52/13/74/815521374.db2.gz GGTAETWIGPZCLF-SKDRFNHKSA-N 2 1 264.329 -0.774 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)CC2 ZINC001158347125 815522234 /nfs/dbraw/zinc/52/22/34/815522234.db2.gz GGTAETWIGPZCLF-BXKDBHETSA-N 2 1 264.329 -0.774 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)CC[N@H+]1C ZINC001158403490 815526867 /nfs/dbraw/zinc/52/68/67/815526867.db2.gz IYILZGREXDBHFD-RWMBFGLXSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(N)=O)CC[N@H+]1C ZINC001158403213 815527180 /nfs/dbraw/zinc/52/71/80/815527180.db2.gz BGUVEDIYQJDUBI-SDDRHHMPSA-N 2 1 284.404 -0.314 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158404146 815527300 /nfs/dbraw/zinc/52/73/00/815527300.db2.gz QULQGEBHMAYDHR-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CCCCS(N)(=O)=O)C1CC1 ZINC001118089911 812469676 /nfs/dbraw/zinc/46/96/76/812469676.db2.gz BXWYFVWFFCCPEY-LLVKDONJSA-N 2 1 279.406 -0.900 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CCCCS(N)(=O)=O)C1CC1 ZINC001118089911 812469679 /nfs/dbraw/zinc/46/96/79/812469679.db2.gz BXWYFVWFFCCPEY-LLVKDONJSA-N 2 1 279.406 -0.900 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC001118140648 812478045 /nfs/dbraw/zinc/47/80/45/812478045.db2.gz GZGPUZCMCPHUFC-BDAKNGLRSA-N 2 1 251.334 -0.094 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC001118140659 812478109 /nfs/dbraw/zinc/47/81/09/812478109.db2.gz GZGPUZCMCPHUFC-RKDXNWHRSA-N 2 1 251.334 -0.094 20 0 CBADMP COCCOC[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC001118260647 812510012 /nfs/dbraw/zinc/51/00/12/812510012.db2.gz DNEPSUZUPFPBBX-AWEZNQCLSA-N 2 1 271.405 -0.124 20 0 CBADMP Cn1nc2c(cc1=O)C[N@H+](CCOCC[NH3+])CC2 ZINC001118261553 812511218 /nfs/dbraw/zinc/51/12/18/812511218.db2.gz XXLFBFJBTINNTG-UHFFFAOYSA-N 2 1 252.318 -0.886 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1cnn(C)c1 ZINC001118265426 812511533 /nfs/dbraw/zinc/51/15/33/812511533.db2.gz ZNHCCIRYAJLTAF-DLOVCJGASA-N 2 1 265.361 -0.076 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC001118282204 812518375 /nfs/dbraw/zinc/51/83/75/812518375.db2.gz VDXTVOQDEPBIKC-DYEKYZERSA-N 2 1 266.389 -0.652 20 0 CBADMP CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158505306 815536410 /nfs/dbraw/zinc/53/64/10/815536410.db2.gz AMCZZLGBXYNGOU-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158567170 815538519 /nfs/dbraw/zinc/53/85/19/815538519.db2.gz FKTJUIFUYOTHIC-ZMLRMANQSA-N 2 1 295.362 -0.185 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[C@H](C)[NH2+]C)C1 ZINC001118550367 812573625 /nfs/dbraw/zinc/57/36/25/812573625.db2.gz DZLSGSUCSMMRPE-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)C1 ZINC001158576607 815539359 /nfs/dbraw/zinc/53/93/59/815539359.db2.gz CCPJKOXRIMNRTF-MMWGEVLESA-N 2 1 270.352 -0.789 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001158626304 815540430 /nfs/dbraw/zinc/54/04/30/815540430.db2.gz JRHYXLRJGKLWSP-TUAOUCFPSA-N 3 1 266.389 -0.654 20 0 CBADMP C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001158626304 815540434 /nfs/dbraw/zinc/54/04/34/815540434.db2.gz JRHYXLRJGKLWSP-TUAOUCFPSA-N 2 1 266.389 -0.654 20 0 CBADMP COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1cc(N)[nH+]cn1)CC2 ZINC001158642341 815541800 /nfs/dbraw/zinc/54/18/00/815541800.db2.gz LURMCAXNPNYUMO-TVQRCGJNSA-N 2 1 277.328 -0.210 20 0 CBADMP COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1cc(N)[nH+]cn1)CC2 ZINC001158642340 815541976 /nfs/dbraw/zinc/54/19/76/815541976.db2.gz LURMCAXNPNYUMO-RNCFNFMXSA-N 2 1 277.328 -0.210 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001118861481 812644122 /nfs/dbraw/zinc/64/41/22/812644122.db2.gz JFPFILDFFPKVAM-GHMZBOCLSA-N 2 1 258.366 -0.650 20 0 CBADMP OC[C@H]1CCC[N@@H+]1Cc1cn(CC2C[NH2+]C2)nn1 ZINC001118917713 812661397 /nfs/dbraw/zinc/66/13/97/812661397.db2.gz NOCIBTARUVFFMY-GFCCVEGCSA-N 2 1 251.334 -0.546 20 0 CBADMP OC[C@H]1CCC[N@H+]1Cc1cn(CC2C[NH2+]C2)nn1 ZINC001118917713 812661404 /nfs/dbraw/zinc/66/14/04/812661404.db2.gz NOCIBTARUVFFMY-GFCCVEGCSA-N 2 1 251.334 -0.546 20 0 CBADMP CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001158789583 815546973 /nfs/dbraw/zinc/54/69/73/815546973.db2.gz DXTJAMJHMAIQPH-ZJUUUORDSA-N 2 1 296.375 -0.954 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC[C@H](C)[NH3+])C[C@@H]1C ZINC001119294721 812744202 /nfs/dbraw/zinc/74/42/02/812744202.db2.gz HMLZPRIWFRNZOZ-SRVKXCTJSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC[C@H](C)[NH3+])C[C@@H]1C ZINC001119294721 812744204 /nfs/dbraw/zinc/74/42/04/812744204.db2.gz HMLZPRIWFRNZOZ-SRVKXCTJSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[C@H](C)[NH3+])C[C@H]1C ZINC001119294719 812744592 /nfs/dbraw/zinc/74/45/92/812744592.db2.gz HMLZPRIWFRNZOZ-QJPTWQEYSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[C@H](C)[NH3+])C[C@H]1C ZINC001119294719 812744597 /nfs/dbraw/zinc/74/45/97/812744597.db2.gz HMLZPRIWFRNZOZ-QJPTWQEYSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](CNC(=O)CCC1C[NH2+]C1)N1CCN(C)CC1 ZINC001119296651 812745462 /nfs/dbraw/zinc/74/54/62/812745462.db2.gz YZROLNORTIIBCU-LBPRGKRZSA-N 2 1 268.405 -0.262 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC001119296526 812745637 /nfs/dbraw/zinc/74/56/37/812745637.db2.gz VBFRVVFQYRIXGJ-STQMWFEESA-N 2 1 286.395 -0.312 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001119351015 812762414 /nfs/dbraw/zinc/76/24/14/812762414.db2.gz OYMUNWIWVVEVPX-LBPRGKRZSA-N 2 1 286.420 -0.066 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119356634 812765517 /nfs/dbraw/zinc/76/55/17/812765517.db2.gz JPXIEQWJSNCXFM-UZWSLXQKSA-N 2 1 294.399 -0.561 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001119363408 812767849 /nfs/dbraw/zinc/76/78/49/812767849.db2.gz XZDUWVKCUKISOS-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC001119368163 812769220 /nfs/dbraw/zinc/76/92/20/812769220.db2.gz FVFOLKOHPMQUHF-ZDEQEGDKSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC001119368163 812769224 /nfs/dbraw/zinc/76/92/24/812769224.db2.gz FVFOLKOHPMQUHF-ZDEQEGDKSA-N 2 1 296.415 -0.219 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119370225 812769915 /nfs/dbraw/zinc/76/99/15/812769915.db2.gz IYQUYTLZOFZDGD-AVGNSLFASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC001119410341 812776596 /nfs/dbraw/zinc/77/65/96/812776596.db2.gz XQQBMLPTTBLDMT-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC001119410340 812777096 /nfs/dbraw/zinc/77/70/96/812777096.db2.gz XQQBMLPTTBLDMT-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001119426933 812782246 /nfs/dbraw/zinc/78/22/46/812782246.db2.gz BNFYFJKTIFEXGG-JOCQHMNTSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC001119501716 812794544 /nfs/dbraw/zinc/79/45/44/812794544.db2.gz DACXCDBPVIYXGY-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP COCc1n[nH]c2c1CN(C(=O)C[NH2+]C1CC[NH2+]CC1)C2 ZINC001159091914 815558685 /nfs/dbraw/zinc/55/86/85/815558685.db2.gz WZTYMRJWUKCNJE-UHFFFAOYSA-N 2 1 293.371 -0.260 20 0 CBADMP N[C@@H](C[NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001159136203 815560705 /nfs/dbraw/zinc/56/07/05/815560705.db2.gz PASSQEGYJPSVOE-MELADBBJSA-N 2 1 289.383 -0.457 20 0 CBADMP COCc1[nH]nc2c1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001159090608 815558248 /nfs/dbraw/zinc/55/82/48/815558248.db2.gz FZWOILMPXQOTJO-VIFPVBQESA-N 2 1 267.333 -0.536 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2C[NH2+]1 ZINC001120451765 812968977 /nfs/dbraw/zinc/96/89/77/812968977.db2.gz GSKZNKOWLQJZHZ-UWVGGRQHSA-N 2 1 263.345 -0.204 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2C[NH2+]1 ZINC001120451767 812968992 /nfs/dbraw/zinc/96/89/92/812968992.db2.gz GSKZNKOWLQJZHZ-ZJUUUORDSA-N 2 1 263.345 -0.204 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2C[NH2+]1 ZINC001120451439 812969152 /nfs/dbraw/zinc/96/91/52/812969152.db2.gz CNJHCEDCDQOGLW-ZJUUUORDSA-N 2 1 263.345 -0.143 20 0 CBADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001120480735 812972558 /nfs/dbraw/zinc/97/25/58/812972558.db2.gz BQTVFMYCCOXZMQ-LSDHHAIUSA-N 3 1 284.448 -0.474 20 0 CBADMP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291206 815567135 /nfs/dbraw/zinc/56/71/35/815567135.db2.gz MHDRQSBEVSQLOJ-ZDUSSCGKSA-N 3 1 280.416 -0.003 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001120528655 812983464 /nfs/dbraw/zinc/98/34/64/812983464.db2.gz SCYMRGIZKNRTHO-LBPRGKRZSA-N 2 1 298.431 -0.194 20 0 CBADMP [NH3+]CCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001120538496 812985462 /nfs/dbraw/zinc/98/54/62/812985462.db2.gz OKXXVWFSTDLVDH-GHMZBOCLSA-N 2 1 256.350 -0.814 20 0 CBADMP O=C(NCCCCC[NH+]1CCNCC1)NCC1C[NH2+]C1 ZINC001120542543 812987743 /nfs/dbraw/zinc/98/77/43/812987743.db2.gz NNHSZURXWBIQQY-UHFFFAOYSA-N 2 1 283.420 -0.420 20 0 CBADMP O=C([C@@H]1COC[NH2+]1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291344 815567956 /nfs/dbraw/zinc/56/79/56/815567956.db2.gz NQTJIKGOHOTMIC-LBPRGKRZSA-N 2 1 265.357 -0.123 20 0 CBADMP O=C([C@@H]1COC[NH2+]1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291344 815567961 /nfs/dbraw/zinc/56/79/61/815567961.db2.gz NQTJIKGOHOTMIC-LBPRGKRZSA-N 2 1 265.357 -0.123 20 0 CBADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001120573656 812994072 /nfs/dbraw/zinc/99/40/72/812994072.db2.gz HBBORCDIQGCFPR-CVEARBPZSA-N 2 1 298.475 -0.085 20 0 CBADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC001120573656 812994077 /nfs/dbraw/zinc/99/40/77/812994077.db2.gz HBBORCDIQGCFPR-CVEARBPZSA-N 2 1 298.475 -0.085 20 0 CBADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC001120573656 812994081 /nfs/dbraw/zinc/99/40/81/812994081.db2.gz HBBORCDIQGCFPR-CVEARBPZSA-N 2 1 298.475 -0.085 20 0 CBADMP [NH3+]CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001120625500 813002396 /nfs/dbraw/zinc/00/23/96/813002396.db2.gz JMOSPLLVZPSPAK-RYUDHWBXSA-N 2 1 270.377 -0.424 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001159335069 815570943 /nfs/dbraw/zinc/57/09/43/815570943.db2.gz QOZMMYYZMFHCLN-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP CCOC[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])Cc2cnn(C)c21 ZINC001159403599 815571540 /nfs/dbraw/zinc/57/15/40/815571540.db2.gz PZTKBDKEDBGYNK-NEPJUHHUSA-N 2 1 295.387 -0.442 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC001121809852 813075992 /nfs/dbraw/zinc/07/59/92/813075992.db2.gz ASBMRNSOYSDIPH-SCDSUCTJSA-N 2 1 266.389 -0.382 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001121891779 813084118 /nfs/dbraw/zinc/08/41/18/813084118.db2.gz BLFMFYMHTXVZCY-QJPTWQEYSA-N 2 1 252.362 -0.805 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001121891781 813085339 /nfs/dbraw/zinc/08/53/39/813085339.db2.gz BLFMFYMHTXVZCY-UTUOFQBUSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@@](C[NH3+])(NC(=O)C[NH+]1CCC(CO)CC1)C1CC1 ZINC001121898373 813085933 /nfs/dbraw/zinc/08/59/33/813085933.db2.gz XNTGSPLFWWLUCH-AWEZNQCLSA-N 2 1 269.389 -0.066 20 0 CBADMP [NH3+]CCNCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001121900141 813087132 /nfs/dbraw/zinc/08/71/32/813087132.db2.gz CJYSKMGAFHJCPH-AWEZNQCLSA-N 2 1 276.384 -0.075 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001121904005 813088001 /nfs/dbraw/zinc/08/80/01/813088001.db2.gz OQNSKUMYIHOTEF-LBPRGKRZSA-N 2 1 265.361 -0.399 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001121904004 813088692 /nfs/dbraw/zinc/08/86/92/813088692.db2.gz OQNSKUMYIHOTEF-GFCCVEGCSA-N 2 1 265.361 -0.399 20 0 CBADMP C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001122099694 813116649 /nfs/dbraw/zinc/11/66/49/813116649.db2.gz JEQYEBXXYIYPLI-TUAOUCFPSA-N 2 1 257.378 -0.102 20 0 CBADMP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001122002929 813102548 /nfs/dbraw/zinc/10/25/48/813102548.db2.gz MMZZOQKQWBROLY-CYBMUJFWSA-N 2 1 279.388 -0.008 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[N@@H+](C)C1CC1 ZINC001121996103 813103001 /nfs/dbraw/zinc/10/30/01/813103001.db2.gz BIULJRSGDYPGKF-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCn1cc[nH+]c1C ZINC001121996047 813103149 /nfs/dbraw/zinc/10/31/49/813103149.db2.gz BRODASPKHPOEDN-GXSJLCMTSA-N 2 1 254.334 -0.476 20 0 CBADMP COCC[NH2+]CCNC(=O)[C@@H]1[NH2+]CCc2occc21 ZINC001122010771 813104416 /nfs/dbraw/zinc/10/44/16/813104416.db2.gz YJQFMXQAMMWQAB-GFCCVEGCSA-N 2 1 267.329 -0.181 20 0 CBADMP Cc1[nH+]ccn1CCCN(C)C(=O)CNCC[NH3+] ZINC001122046900 813109042 /nfs/dbraw/zinc/10/90/42/813109042.db2.gz PWIWSPSCNSGWNV-UHFFFAOYSA-N 2 1 253.350 -0.412 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001122086103 813115156 /nfs/dbraw/zinc/11/51/56/813115156.db2.gz AHCJXTLDFKWBJK-LOWDOPEQSA-N 2 1 294.399 -0.417 20 0 CBADMP C[NH2+]CCOCCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001122089193 813115764 /nfs/dbraw/zinc/11/57/64/813115764.db2.gz RKUOSLANQLXDJE-SNVBAGLBSA-N 2 1 254.334 -0.060 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001122108121 813118875 /nfs/dbraw/zinc/11/88/75/813118875.db2.gz DFEYCORDJYCGNR-LBPRGKRZSA-N 2 1 263.301 -0.813 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH3+])CC(O)C3)CC[C@@H]21 ZINC001122108362 813118892 /nfs/dbraw/zinc/11/88/92/813118892.db2.gz PJZMHLAYVKDYRY-JJMZSNKZSA-N 2 1 267.373 -0.361 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001122108119 813119243 /nfs/dbraw/zinc/11/92/43/813119243.db2.gz DFEYCORDJYCGNR-GFCCVEGCSA-N 2 1 263.301 -0.813 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2C[NH2+]1 ZINC001122185485 813128607 /nfs/dbraw/zinc/12/86/07/813128607.db2.gz TZKZUOOTICCFPV-GUBZILKMSA-N 2 1 261.329 -0.439 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001122189244 813130585 /nfs/dbraw/zinc/13/05/85/813130585.db2.gz FIGPAKDLPYZSJC-GFCCVEGCSA-N 2 1 254.334 -0.676 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001122189245 813130632 /nfs/dbraw/zinc/13/06/32/813130632.db2.gz FIGPAKDLPYZSJC-LBPRGKRZSA-N 2 1 254.334 -0.676 20 0 CBADMP [NH3+][C@H]1C[C@H](C(=O)NCCCCC[NH+]2CCNCC2)C1 ZINC001122194566 813131827 /nfs/dbraw/zinc/13/18/27/813131827.db2.gz GXOAHPMFHNSGCO-JOCQHMNTSA-N 2 1 268.405 -0.085 20 0 CBADMP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001122205076 813133172 /nfs/dbraw/zinc/13/31/72/813133172.db2.gz BPWACVCBSSZXPP-GIPNMCIBSA-N 2 1 264.329 -0.175 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)c1cnn(C)c1 ZINC001122241523 813137796 /nfs/dbraw/zinc/13/77/96/813137796.db2.gz YXZINCJNXSARHJ-ADEWGFFLSA-N 2 1 265.361 -0.076 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC001122362535 813153205 /nfs/dbraw/zinc/15/32/05/813153205.db2.gz CYIYIPXDHDEVDF-WDEREUQCSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC001122362535 813153210 /nfs/dbraw/zinc/15/32/10/813153210.db2.gz CYIYIPXDHDEVDF-WDEREUQCSA-N 2 1 255.362 -0.179 20 0 CBADMP CN1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC[N@@H+](C)CC1 ZINC001122378589 813155803 /nfs/dbraw/zinc/15/58/03/813155803.db2.gz YSHAHWIEVKWEMW-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@H](CO)C1 ZINC001122447006 813165496 /nfs/dbraw/zinc/16/54/96/813165496.db2.gz ABSXRJOSLZRAQQ-NNYUYHANSA-N 2 1 253.346 -0.738 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@H](CO)C1 ZINC001122447006 813165499 /nfs/dbraw/zinc/16/54/99/813165499.db2.gz ABSXRJOSLZRAQQ-NNYUYHANSA-N 2 1 253.346 -0.738 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@@H]1C[N@@H+](C)CCN1C ZINC001122540556 813174715 /nfs/dbraw/zinc/17/47/15/813174715.db2.gz FSRPOXFZXQCZOH-AVGNSLFASA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@H]1C[N@@H+](C)CCN1C ZINC001122540558 813174885 /nfs/dbraw/zinc/17/48/85/813174885.db2.gz FSRPOXFZXQCZOH-RWMBFGLXSA-N 2 1 268.405 -0.121 20 0 CBADMP NS(=O)(=O)c1ccc(Cl)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159787697 815596033 /nfs/dbraw/zinc/59/60/33/815596033.db2.gz BQVZNYONWQDWKG-MRVPVSSYSA-N 2 1 293.780 -0.182 20 0 CBADMP C[NH+]1CCN(c2nccc(N[C@H]([NH3+])CCC[NH3+])n2)CC1 ZINC001159787910 815596348 /nfs/dbraw/zinc/59/63/48/815596348.db2.gz DROSBRHCKCOETF-NSHDSACASA-N 3 1 279.392 -0.336 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(N)=O)C1 ZINC001159838717 815599845 /nfs/dbraw/zinc/59/98/45/815599845.db2.gz OLYDIFIGDWHDGC-CHWSQXEVSA-N 2 1 298.431 -0.066 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159878001 815602727 /nfs/dbraw/zinc/60/27/27/815602727.db2.gz VAIUCMLUCAIOGK-CYBMUJFWSA-N 2 1 297.403 -0.444 20 0 CBADMP C[C@H](O)C[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159877098 815602913 /nfs/dbraw/zinc/60/29/13/815602913.db2.gz NIIOVKSAVXVJHI-STQMWFEESA-N 2 1 297.403 -0.710 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CCC[N@@H+](C)CC1 ZINC001123476490 813241611 /nfs/dbraw/zinc/24/16/11/813241611.db2.gz QHNJBMWAEZJGPE-CHWSQXEVSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CCCC1 ZINC001123482106 813243554 /nfs/dbraw/zinc/24/35/54/813243554.db2.gz KASZDJGJPOSRSS-CHWSQXEVSA-N 2 1 266.389 -0.413 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001123658655 813257470 /nfs/dbraw/zinc/25/74/70/813257470.db2.gz RPBYQGYOTHHJLD-JHJVBQTASA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CCC1 ZINC001123672377 813259710 /nfs/dbraw/zinc/25/97/10/813259710.db2.gz UUUXKNYDCVCSKW-RYUDHWBXSA-N 2 1 252.362 -0.803 20 0 CBADMP Cn1nccc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124837582 813485381 /nfs/dbraw/zinc/48/53/81/813485381.db2.gz OEBVBWPWSRIEOR-LBPRGKRZSA-N 2 1 265.361 -0.280 20 0 CBADMP Cn1cc(CC[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC001124866449 813489401 /nfs/dbraw/zinc/48/94/01/813489401.db2.gz CSCSKEZGJWFCKU-ZDUSSCGKSA-N 2 1 279.388 -0.237 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001124866515 813489687 /nfs/dbraw/zinc/48/96/87/813489687.db2.gz FBNZFDLPATZISJ-ZYHUDNBSSA-N 2 1 282.388 -0.547 20 0 CBADMP CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124866943 813489815 /nfs/dbraw/zinc/48/98/15/813489815.db2.gz NZZMIHBSHQCGCL-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001124866513 813489857 /nfs/dbraw/zinc/48/98/57/813489857.db2.gz FBNZFDLPATZISJ-JQWIXIFHSA-N 2 1 282.388 -0.547 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001124866581 813489975 /nfs/dbraw/zinc/48/99/75/813489975.db2.gz GKDIGTXLDWCGDV-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001124872590 813491563 /nfs/dbraw/zinc/49/15/63/813491563.db2.gz LGHJCHDOFDOMCY-LBPRGKRZSA-N 2 1 265.361 -0.280 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001124872590 813491565 /nfs/dbraw/zinc/49/15/65/813491565.db2.gz LGHJCHDOFDOMCY-LBPRGKRZSA-N 2 1 265.361 -0.280 20 0 CBADMP CCN(C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001124867671 813492743 /nfs/dbraw/zinc/49/27/43/813492743.db2.gz XNZVNKPPGAYWRF-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001124872487 813492775 /nfs/dbraw/zinc/49/27/75/813492775.db2.gz HPOMKRJJLQEVTA-LLVKDONJSA-N 2 1 268.361 -0.935 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001124873511 813493661 /nfs/dbraw/zinc/49/36/61/813493661.db2.gz WHJGZVPZVUPDRV-ZDUSSCGKSA-N 2 1 296.415 -0.155 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001124873582 813493822 /nfs/dbraw/zinc/49/38/22/813493822.db2.gz ZFHOTOCFYBLFLW-GHMZBOCLSA-N 2 1 268.361 -0.935 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001124879661 813494514 /nfs/dbraw/zinc/49/45/14/813494514.db2.gz YBBCGYMOVNHVOP-VXGBXAGGSA-N 2 1 292.387 -0.435 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)c1nncn1C ZINC001124877152 813494974 /nfs/dbraw/zinc/49/49/74/813494974.db2.gz CQVYTYAHOSTPQU-MNOVXSKESA-N 2 1 280.376 -0.324 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)c1nncn1C ZINC001124877152 813494979 /nfs/dbraw/zinc/49/49/79/813494979.db2.gz CQVYTYAHOSTPQU-MNOVXSKESA-N 2 1 280.376 -0.324 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125203448 813529689 /nfs/dbraw/zinc/52/96/89/813529689.db2.gz OCSVDUUZACHAIG-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125203448 813529695 /nfs/dbraw/zinc/52/96/95/813529695.db2.gz OCSVDUUZACHAIG-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP Cc1cncc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001125213334 813532089 /nfs/dbraw/zinc/53/20/89/813532089.db2.gz FGNUWZQQDCQIAZ-CQSZACIVSA-N 2 1 292.383 -0.074 20 0 CBADMP Cc1cncc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001125213334 813532091 /nfs/dbraw/zinc/53/20/91/813532091.db2.gz FGNUWZQQDCQIAZ-CQSZACIVSA-N 2 1 292.383 -0.074 20 0 CBADMP Cc1cccnc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125214321 813532104 /nfs/dbraw/zinc/53/21/04/813532104.db2.gz RFFBMRPCQLJPHX-AWEZNQCLSA-N 2 1 292.383 -0.074 20 0 CBADMP Cc1cccnc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125214321 813532108 /nfs/dbraw/zinc/53/21/08/813532108.db2.gz RFFBMRPCQLJPHX-AWEZNQCLSA-N 2 1 292.383 -0.074 20 0 CBADMP CCOC1CC(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001125220879 813534242 /nfs/dbraw/zinc/53/42/42/813534242.db2.gz LVHSBIRCDBEAPT-RUXDESIVSA-N 2 1 299.415 -0.162 20 0 CBADMP CCOC1CC(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001125220879 813534247 /nfs/dbraw/zinc/53/42/47/813534247.db2.gz LVHSBIRCDBEAPT-RUXDESIVSA-N 2 1 299.415 -0.162 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCOC2)C1 ZINC001125221155 813534948 /nfs/dbraw/zinc/53/49/48/813534948.db2.gz NRBMVAPMWHXCSD-OLZOCXBDSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCOC2)C1 ZINC001125221155 813534954 /nfs/dbraw/zinc/53/49/54/813534954.db2.gz NRBMVAPMWHXCSD-OLZOCXBDSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC001125220571 813535395 /nfs/dbraw/zinc/53/53/95/813535395.db2.gz JMBODSPLQNKCCV-OLZOCXBDSA-N 2 1 299.415 -0.162 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC001125220571 813535401 /nfs/dbraw/zinc/53/54/01/813535401.db2.gz JMBODSPLQNKCCV-OLZOCXBDSA-N 2 1 299.415 -0.162 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCCCO2)C1 ZINC001125221664 813535703 /nfs/dbraw/zinc/53/57/03/813535703.db2.gz RSYRDBGTSRKMRM-STQMWFEESA-N 2 1 285.388 -0.408 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCCCO2)C1 ZINC001125221664 813535706 /nfs/dbraw/zinc/53/57/06/813535706.db2.gz RSYRDBGTSRKMRM-STQMWFEESA-N 2 1 285.388 -0.408 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@H]2CCOC2)C1 ZINC001125221158 813535772 /nfs/dbraw/zinc/53/57/72/813535772.db2.gz NRBMVAPMWHXCSD-STQMWFEESA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@H]2CCOC2)C1 ZINC001125221158 813535777 /nfs/dbraw/zinc/53/57/77/813535777.db2.gz NRBMVAPMWHXCSD-STQMWFEESA-N 2 1 285.388 -0.551 20 0 CBADMP COCCCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125221494 813536982 /nfs/dbraw/zinc/53/69/82/813536982.db2.gz QQSOZTSAWJEQJJ-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP COCCCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125221494 813536988 /nfs/dbraw/zinc/53/69/88/813536988.db2.gz QQSOZTSAWJEQJJ-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001127065612 813708954 /nfs/dbraw/zinc/70/89/54/813708954.db2.gz CBWBVROMCWDALT-CYBMUJFWSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001127082502 813711042 /nfs/dbraw/zinc/71/10/42/813711042.db2.gz SHHBNHDEFGCWBW-RYUDHWBXSA-N 2 1 284.404 -0.171 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCO ZINC001127081729 813711313 /nfs/dbraw/zinc/71/13/13/813711313.db2.gz AEFQYGIHQUXSGJ-GFCCVEGCSA-N 2 1 257.378 -0.053 20 0 CBADMP O=C(NCC[NH2+]CCCO)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255359 813722218 /nfs/dbraw/zinc/72/22/18/813722218.db2.gz IWSWIMDFRVPNGC-STQMWFEESA-N 2 1 269.389 -0.051 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255595 813722330 /nfs/dbraw/zinc/72/23/30/813722330.db2.gz KDJOUYKQWZTEAQ-GHMZBOCLSA-N 2 1 268.361 -0.948 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127257350 813722357 /nfs/dbraw/zinc/72/23/57/813722357.db2.gz XVMPCHHYVNWZKY-CHWSQXEVSA-N 2 1 296.415 -0.297 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)nn1 ZINC001127481579 813734095 /nfs/dbraw/zinc/73/40/95/813734095.db2.gz UVUSHOSURNHTJA-ZDUSSCGKSA-N 2 1 292.387 -0.637 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nncn1C ZINC001127637867 813740211 /nfs/dbraw/zinc/74/02/11/813740211.db2.gz ADQDPGZFEDSIKW-IJLUTSLNSA-N 2 1 294.403 -0.078 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nncn1C ZINC001127637867 813740215 /nfs/dbraw/zinc/74/02/15/813740215.db2.gz ADQDPGZFEDSIKW-IJLUTSLNSA-N 2 1 294.403 -0.078 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nncn2C)CC[N@@H+]1C ZINC001127685038 813740633 /nfs/dbraw/zinc/74/06/33/813740633.db2.gz AAHFWVLLZNZNJH-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nncn2C)CC[N@H+]1C ZINC001127685038 813740639 /nfs/dbraw/zinc/74/06/39/813740639.db2.gz AAHFWVLLZNZNJH-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cncn2C)CC[N@H+]1C ZINC001127685216 813740684 /nfs/dbraw/zinc/74/06/84/813740684.db2.gz IONJBXVSWYJHGA-DGCLKSJQSA-N 2 1 279.388 -0.034 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001127690196 813741531 /nfs/dbraw/zinc/74/15/31/813741531.db2.gz GUGSWWMHDRQULK-WDEREUQCSA-N 2 1 270.377 -0.832 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)CC[N@H+]1C ZINC001127695784 813741644 /nfs/dbraw/zinc/74/16/44/813741644.db2.gz YCPOJQIYFHMHCZ-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127765278 813747591 /nfs/dbraw/zinc/74/75/91/813747591.db2.gz JNKXCBFSUUUJOS-OLZOCXBDSA-N 2 1 285.388 -0.408 20 0 CBADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001128773847 813797893 /nfs/dbraw/zinc/79/78/93/813797893.db2.gz GHTGOCQCMGCSDO-NSHDSACASA-N 2 1 295.391 -0.710 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001128773847 813797900 /nfs/dbraw/zinc/79/79/00/813797900.db2.gz GHTGOCQCMGCSDO-NSHDSACASA-N 2 1 295.391 -0.710 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC ZINC001128773533 813797955 /nfs/dbraw/zinc/79/79/55/813797955.db2.gz AQGJUGKGPBPDNN-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001128779751 813799060 /nfs/dbraw/zinc/79/90/60/813799060.db2.gz XOUBSLTWFUDZKT-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001128786131 813799142 /nfs/dbraw/zinc/79/91/42/813799142.db2.gz RTDFJCBUKPRIDG-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001128786798 813799669 /nfs/dbraw/zinc/79/96/69/813799669.db2.gz WDGTYMDBTTXYFR-NWDGAFQWSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364624 813839775 /nfs/dbraw/zinc/83/97/75/813839775.db2.gz YOALWYKYQMTHEQ-TZMCWYRMSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(N)=O ZINC001129418860 813841177 /nfs/dbraw/zinc/84/11/77/813841177.db2.gz XLEKFRNPOUZAIO-YPMHNXCESA-N 2 1 296.415 -0.027 20 0 CBADMP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129416863 813841833 /nfs/dbraw/zinc/84/18/33/813841833.db2.gz KJDIPJSCXMAZNF-MNOVXSKESA-N 2 1 291.355 -0.645 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@@H]1CCCc2[nH+]ccn21 ZINC001129429474 813842457 /nfs/dbraw/zinc/84/24/57/813842457.db2.gz GYUOQZOZMJQLEE-JTQLQIEISA-N 2 1 252.318 -0.541 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001129418987 813843644 /nfs/dbraw/zinc/84/36/44/813843644.db2.gz ZTGUHRZPLAITPK-OLZOCXBDSA-N 2 1 296.415 -0.156 20 0 CBADMP Cn1nncc1C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129526372 813851094 /nfs/dbraw/zinc/85/10/94/813851094.db2.gz DBXZERWPRRUMEP-UHFFFAOYSA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@@H](O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129840741 813869698 /nfs/dbraw/zinc/86/96/98/813869698.db2.gz IRDRVLIZPHXNHO-NEPJUHHUSA-N 2 1 257.378 -0.053 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129839581 813869720 /nfs/dbraw/zinc/86/97/20/813869720.db2.gz BZSLGZOYXBLVCA-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP Cn1nnnc1C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129849670 813871009 /nfs/dbraw/zinc/87/10/09/813871009.db2.gz PORNLGQJDWFBME-NSHDSACASA-N 2 1 295.391 -0.710 20 0 CBADMP Cn1nnnc1C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129849670 813871015 /nfs/dbraw/zinc/87/10/15/813871015.db2.gz PORNLGQJDWFBME-NSHDSACASA-N 2 1 295.391 -0.710 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)CC[C@H]2CCC[N@@H+]2C)n1 ZINC001129841517 813871130 /nfs/dbraw/zinc/87/11/30/813871130.db2.gz OHZJDUDVOOVFFF-CYBMUJFWSA-N 2 1 294.403 -0.105 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)CC[C@H]2CCC[N@H+]2C)n1 ZINC001129841517 813871138 /nfs/dbraw/zinc/87/11/38/813871138.db2.gz OHZJDUDVOOVFFF-CYBMUJFWSA-N 2 1 294.403 -0.105 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129839578 813871862 /nfs/dbraw/zinc/87/18/62/813871862.db2.gz BZSLGZOYXBLVCA-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP Cn1nncc1C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129855618 813872169 /nfs/dbraw/zinc/87/21/69/813872169.db2.gz HWMKRGVTOXIHDC-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001129947243 813882702 /nfs/dbraw/zinc/88/27/02/813882702.db2.gz QILGPNCEHCUTDY-LBPRGKRZSA-N 2 1 282.392 -0.393 20 0 CBADMP C[C@H](O)CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182458 813913298 /nfs/dbraw/zinc/91/32/98/813913298.db2.gz IYGAYTDSEYMOKC-YNEHKIRRSA-N 2 1 287.404 -0.428 20 0 CBADMP C[C@H](O)CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182458 813913301 /nfs/dbraw/zinc/91/33/01/813913301.db2.gz IYGAYTDSEYMOKC-YNEHKIRRSA-N 2 1 287.404 -0.428 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H]2CCCOC2)O1 ZINC001130180521 813913674 /nfs/dbraw/zinc/91/36/74/813913674.db2.gz REDVQOLMXNRLHK-HZSPNIEDSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H]2CCCOC2)O1 ZINC001130180521 813913682 /nfs/dbraw/zinc/91/36/82/813913682.db2.gz REDVQOLMXNRLHK-HZSPNIEDSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H]2CCCCO2)O1 ZINC001130182478 813914702 /nfs/dbraw/zinc/91/47/02/813914702.db2.gz JYDINQHFNWCJSK-MGPQQGTHSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H]2CCCCO2)O1 ZINC001130182478 813914710 /nfs/dbraw/zinc/91/47/10/813914710.db2.gz JYDINQHFNWCJSK-MGPQQGTHSA-N 2 1 299.415 -0.020 20 0 CBADMP CC[C@H](C(=O)NCC[NH2+]Cc1nncn1C)[NH+](C)C ZINC001130197051 813915828 /nfs/dbraw/zinc/91/58/28/813915828.db2.gz CDFOAZPMWDTYMJ-SNVBAGLBSA-N 2 1 268.365 -0.639 20 0 CBADMP CC[C@H](C(=O)NCC[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001130197780 813916200 /nfs/dbraw/zinc/91/62/00/813916200.db2.gz PCPGNILEDXRUBS-LLVKDONJSA-N 2 1 268.365 -0.639 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184359 813916740 /nfs/dbraw/zinc/91/67/40/813916740.db2.gz MYXRHMPZUYHEJA-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184359 813916745 /nfs/dbraw/zinc/91/67/45/813916745.db2.gz MYXRHMPZUYHEJA-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186286 813917011 /nfs/dbraw/zinc/91/70/11/813917011.db2.gz FCYCBGGTARPQLU-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[C@H](C(=O)NCC[NH2+][C@H](C)c1nncn1C)[NH+](C)C ZINC001130202885 813918075 /nfs/dbraw/zinc/91/80/75/813918075.db2.gz BCQIOZDXCWRYGL-GHMZBOCLSA-N 2 1 282.392 -0.078 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001130296881 813921904 /nfs/dbraw/zinc/92/19/04/813921904.db2.gz DDBDFASEZHBJCL-GHMZBOCLSA-N 2 1 268.361 -0.935 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001130300237 813923703 /nfs/dbraw/zinc/92/37/03/813923703.db2.gz KLLGFBIPEOMCSG-LBPRGKRZSA-N 2 1 297.403 -0.798 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130303424 813924990 /nfs/dbraw/zinc/92/49/90/813924990.db2.gz CDNVLQMKYAAOGG-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)N(C)C ZINC001130304011 813925090 /nfs/dbraw/zinc/92/50/90/813925090.db2.gz QJVJLCHGMYPKNU-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)N(C)C ZINC001130304012 813925159 /nfs/dbraw/zinc/92/51/59/813925159.db2.gz QJVJLCHGMYPKNU-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCOCCO ZINC001130299716 813925433 /nfs/dbraw/zinc/92/54/33/813925433.db2.gz BDAKIXUQAOQNLZ-GFCCVEGCSA-N 2 1 273.377 -0.815 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001130303742 813925651 /nfs/dbraw/zinc/92/56/51/813925651.db2.gz INMYTHAZGZSQPG-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001130297288 813925937 /nfs/dbraw/zinc/92/59/37/813925937.db2.gz KCRQKOXUMPBCOE-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)NC1CC1 ZINC001130306060 813926845 /nfs/dbraw/zinc/92/68/45/813926845.db2.gz QIHYFHRLLCCUFN-WCQYABFASA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CCOCCO ZINC001130424980 813938500 /nfs/dbraw/zinc/93/85/00/813938500.db2.gz JMWUOELPJUPXFX-UHFFFAOYSA-N 2 1 275.393 -0.569 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001130427894 813938576 /nfs/dbraw/zinc/93/85/76/813938576.db2.gz SRKAZNYRBPQMHR-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001130419076 813938956 /nfs/dbraw/zinc/93/89/56/813938956.db2.gz KGXFDAAGUPUDGM-UHFFFAOYSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001130419376 813939328 /nfs/dbraw/zinc/93/93/28/813939328.db2.gz XVFINHRPMKPUKD-UHFFFAOYSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001130419376 813939337 /nfs/dbraw/zinc/93/93/37/813939337.db2.gz XVFINHRPMKPUKD-UHFFFAOYSA-N 2 1 282.392 -0.249 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001130711431 813969052 /nfs/dbraw/zinc/96/90/52/813969052.db2.gz VEYBHTWCPZZYMO-LLVKDONJSA-N 2 1 270.377 -0.702 20 0 CBADMP CCCC[C@H]([NH2+]CCNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001131387353 814026658 /nfs/dbraw/zinc/02/66/58/814026658.db2.gz MMZYVXFWCWCQRV-LBPRGKRZSA-N 2 1 295.387 -0.059 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001131380758 814027463 /nfs/dbraw/zinc/02/74/63/814027463.db2.gz ZZYOLFJHCFGSOC-UHFFFAOYSA-N 2 1 279.344 -0.824 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001131380603 814027917 /nfs/dbraw/zinc/02/79/17/814027917.db2.gz SJKNAUDLQJMUEY-UHFFFAOYSA-N 2 1 290.371 -0.126 20 0 CBADMP CC(C)[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131522098 814036719 /nfs/dbraw/zinc/03/67/19/814036719.db2.gz SEULIIALEQEPML-LXVYMNJGSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC(=O)N(C)C ZINC001132273739 814120875 /nfs/dbraw/zinc/12/08/75/814120875.db2.gz JBMVLQWKDHWTBB-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC(=O)N(C)C ZINC001132273739 814120877 /nfs/dbraw/zinc/12/08/77/814120877.db2.gz JBMVLQWKDHWTBB-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C[N@@H+]1CCO ZINC001132358736 814135112 /nfs/dbraw/zinc/13/51/12/814135112.db2.gz GWBTWWUEFTWFSJ-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C[N@H+]1CCO ZINC001132358736 814135114 /nfs/dbraw/zinc/13/51/14/814135114.db2.gz GWBTWWUEFTWFSJ-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC(N)=O)C1 ZINC001132409830 814148441 /nfs/dbraw/zinc/14/84/41/814148441.db2.gz FSMZFWFWVCWKSI-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC(N)=O)C1 ZINC001132409830 814148447 /nfs/dbraw/zinc/14/84/47/814148447.db2.gz FSMZFWFWVCWKSI-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132409830 814148451 /nfs/dbraw/zinc/14/84/51/814148451.db2.gz FSMZFWFWVCWKSI-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132409830 814148454 /nfs/dbraw/zinc/14/84/54/814148454.db2.gz FSMZFWFWVCWKSI-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)COCC[NH+](C)C)C[N@H+]1CCO ZINC001132425608 814149677 /nfs/dbraw/zinc/14/96/77/814149677.db2.gz JTBNBUCGYSIRBQ-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCOC2)C1 ZINC001132848851 814194240 /nfs/dbraw/zinc/19/42/40/814194240.db2.gz UHDWIFPKDXDNGA-ZIAGYGMSSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)CC[N@H+]1C ZINC001132887019 814196752 /nfs/dbraw/zinc/19/67/52/814196752.db2.gz ZHNMDRBIEYYYCI-SDDRHHMPSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001132886132 814196890 /nfs/dbraw/zinc/19/68/90/814196890.db2.gz DBVYUBZTFDPEHO-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)CC[N@H+]1C ZINC001132887020 814197089 /nfs/dbraw/zinc/19/70/89/814197089.db2.gz ZHNMDRBIEYYYCI-SRVKXCTJSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2nncn2C)CC[N@@H+]1C ZINC001132885992 814197644 /nfs/dbraw/zinc/19/76/44/814197644.db2.gz ACDJDQMCDCGBCC-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2nncn2C)CC[N@H+]1C ZINC001132885992 814197651 /nfs/dbraw/zinc/19/76/51/814197651.db2.gz ACDJDQMCDCGBCC-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CCn2cncn2)CC[N@H+]1C ZINC001132893260 814199346 /nfs/dbraw/zinc/19/93/46/814199346.db2.gz MGBAYBRFWNEVMS-STQMWFEESA-N 2 1 294.403 -0.286 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001132893064 814199528 /nfs/dbraw/zinc/19/95/28/814199528.db2.gz JBHXDMFTQTZJJW-SDDRHHMPSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)c1nnnn1C ZINC001132993437 814207346 /nfs/dbraw/zinc/20/73/46/814207346.db2.gz UGBRSNCSICVLTE-SNVBAGLBSA-N 2 1 295.391 -0.681 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)CCC[NH+](C)C)nn1 ZINC001133040258 814211697 /nfs/dbraw/zinc/21/16/97/814211697.db2.gz IFZCZSDZNQNPKN-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001133040239 814211878 /nfs/dbraw/zinc/21/18/78/814211878.db2.gz HQWUGOHBHHAQMQ-UHFFFAOYSA-N 2 1 295.391 -0.444 20 0 CBADMP CCCn1nnnc1C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051700 814212691 /nfs/dbraw/zinc/21/26/91/814212691.db2.gz LQIFWDWACOGLCC-UHFFFAOYSA-N 2 1 297.407 -0.369 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133274337 814234510 /nfs/dbraw/zinc/23/45/10/814234510.db2.gz GMAVANNXTZIXJZ-OLZOCXBDSA-N 2 1 298.431 -0.112 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)n1 ZINC001133285669 814235252 /nfs/dbraw/zinc/23/52/52/814235252.db2.gz CJWDPPRUNOGCKT-UHFFFAOYSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)c1nnnn1C ZINC001133287292 814235428 /nfs/dbraw/zinc/23/54/28/814235428.db2.gz FYJRVWYYSHJJJD-SNVBAGLBSA-N 2 1 295.391 -0.681 20 0 CBADMP C[NH+](C)CCC(=O)NCC[NH2+]Cc1cc2n(n1)CCC2 ZINC001133287030 814235991 /nfs/dbraw/zinc/23/59/91/814235991.db2.gz CQNXEZATTNHILH-UHFFFAOYSA-N 2 1 279.388 -0.013 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133819369 814298995 /nfs/dbraw/zinc/29/89/95/814298995.db2.gz AAWHSSVDRPUVJH-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133819668 814299617 /nfs/dbraw/zinc/29/96/17/814299617.db2.gz KQLBHMTUGBCNND-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001133819523 814300370 /nfs/dbraw/zinc/30/03/70/814300370.db2.gz FHYRYXUXEOUJDG-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1nncn1C ZINC001133833654 814301949 /nfs/dbraw/zinc/30/19/49/814301949.db2.gz BMXNYTPTRBDTTJ-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1nncn1C ZINC001133833654 814301958 /nfs/dbraw/zinc/30/19/58/814301958.db2.gz BMXNYTPTRBDTTJ-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001133824004 814302076 /nfs/dbraw/zinc/30/20/76/814302076.db2.gz VQVRKXPADVTXBR-LBPRGKRZSA-N 2 1 297.403 -0.798 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001133823440 814302962 /nfs/dbraw/zinc/30/29/62/814302962.db2.gz GIKRTSOAQNOTAC-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001133823440 814302970 /nfs/dbraw/zinc/30/29/70/814302970.db2.gz GIKRTSOAQNOTAC-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133823404 814303182 /nfs/dbraw/zinc/30/31/82/814303182.db2.gz FNXQJOCZASAIJA-QWRGUYRKSA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001133823987 814303200 /nfs/dbraw/zinc/30/32/00/814303200.db2.gz VASRHQUWIALZRQ-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(N)=O ZINC001133845739 814307193 /nfs/dbraw/zinc/30/71/93/814307193.db2.gz MMYIZTWVTVPFGJ-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845577 814307855 /nfs/dbraw/zinc/30/78/55/814307855.db2.gz IWSYTKNKRRBIPI-WDEREUQCSA-N 2 1 270.377 -0.832 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849828 814308220 /nfs/dbraw/zinc/30/82/20/814308220.db2.gz FCXIJIQPLFXSLX-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CCCCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845431 814308654 /nfs/dbraw/zinc/30/86/54/814308654.db2.gz FTYDBSZQDPCZKM-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845521 814309101 /nfs/dbraw/zinc/30/91/01/814309101.db2.gz HYPYJDCHDSIMDY-LBPRGKRZSA-N 2 1 284.404 -0.440 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133863839 814310027 /nfs/dbraw/zinc/31/00/27/814310027.db2.gz PZJGWEGRBQMANO-NEPJUHHUSA-N 2 1 257.378 -0.074 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnns1 ZINC001133862293 814310053 /nfs/dbraw/zinc/31/00/53/814310053.db2.gz CAIFLTSHEQWWAF-ONGXEEELSA-N 2 1 283.401 -0.058 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnns1 ZINC001133862293 814310062 /nfs/dbraw/zinc/31/00/62/814310062.db2.gz CAIFLTSHEQWWAF-ONGXEEELSA-N 2 1 283.401 -0.058 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCC[NH2+]CCO)C1 ZINC001133856335 814310214 /nfs/dbraw/zinc/31/02/14/814310214.db2.gz CUMVEIIAIYEWHB-CYBMUJFWSA-N 2 1 275.368 -0.103 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cncn2C)C1 ZINC001133853694 814311831 /nfs/dbraw/zinc/31/18/31/814311831.db2.gz OTINUWSJHQTOSA-LBPRGKRZSA-N 2 1 279.388 -0.032 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2nccn2C)C1 ZINC001133853422 814312033 /nfs/dbraw/zinc/31/20/33/814312033.db2.gz IRKKKAYMIDMNTI-LBPRGKRZSA-N 2 1 279.388 -0.032 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2nccn2C)C1 ZINC001133853422 814312042 /nfs/dbraw/zinc/31/20/42/814312042.db2.gz IRKKKAYMIDMNTI-LBPRGKRZSA-N 2 1 279.388 -0.032 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCC[NH2+]CCO)C1 ZINC001133856336 814312135 /nfs/dbraw/zinc/31/21/35/814312135.db2.gz CUMVEIIAIYEWHB-ZDUSSCGKSA-N 2 1 275.368 -0.103 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001133862836 814312485 /nfs/dbraw/zinc/31/24/85/814312485.db2.gz GTTJWHZLJMLWBG-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001133868153 814312826 /nfs/dbraw/zinc/31/28/26/814312826.db2.gz ZXRVVEYEVVUKCJ-RYUDHWBXSA-N 2 1 282.388 -0.878 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001133865208 814312855 /nfs/dbraw/zinc/31/28/55/814312855.db2.gz AICDHWRQJCNJBU-WCQYABFASA-N 2 1 296.415 -0.584 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001133866301 814313163 /nfs/dbraw/zinc/31/31/63/814313163.db2.gz KKVRXAHKJOZQSA-QWRGUYRKSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001133866301 814313172 /nfs/dbraw/zinc/31/31/72/814313172.db2.gz KKVRXAHKJOZQSA-QWRGUYRKSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001133864017 814314045 /nfs/dbraw/zinc/31/40/45/814314045.db2.gz SWRQQFSCPFXDBB-JSGCOSHPSA-N 2 1 293.415 -0.134 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccnn1C ZINC001133866692 814314179 /nfs/dbraw/zinc/31/41/79/814314179.db2.gz NRUSULWCEQVJHR-WCQYABFASA-N 2 1 279.388 -0.176 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)[nH]1 ZINC001133864073 814314664 /nfs/dbraw/zinc/31/46/64/814314664.db2.gz USPGYDZFEDRGNX-ONGXEEELSA-N 2 1 280.376 -0.483 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)[nH]1 ZINC001133864073 814314672 /nfs/dbraw/zinc/31/46/72/814314672.db2.gz USPGYDZFEDRGNX-ONGXEEELSA-N 2 1 280.376 -0.483 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001133867397 814315563 /nfs/dbraw/zinc/31/55/63/814315563.db2.gz UAIWJPSFDXSCFM-AAEUAGOBSA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001133867400 814315801 /nfs/dbraw/zinc/31/58/01/814315801.db2.gz UAIWJPSFDXSCFM-YPMHNXCESA-N 2 1 296.415 -0.489 20 0 CBADMP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133870428 814317336 /nfs/dbraw/zinc/31/73/36/814317336.db2.gz SZBSYMFYEQRGKZ-QWHCGFSZSA-N 2 1 298.431 -0.194 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]CCOCCO)C1 ZINC001133896737 814320916 /nfs/dbraw/zinc/32/09/16/814320916.db2.gz QZCBSEBCTUOLRS-UHFFFAOYSA-N 2 1 287.404 -0.567 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001133893314 814321295 /nfs/dbraw/zinc/32/12/95/814321295.db2.gz CACJEJOVZCZNDZ-NSHDSACASA-N 2 1 282.388 -0.687 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134570567 814398147 /nfs/dbraw/zinc/39/81/47/814398147.db2.gz SYMAFXHPLIHDIF-UHFFFAOYSA-N 2 1 295.387 -0.152 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135028150 814431399 /nfs/dbraw/zinc/43/13/99/814431399.db2.gz CGRNJUKDTUHEAN-MNOVXSKESA-N 2 1 295.387 -0.190 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135096044 814437454 /nfs/dbraw/zinc/43/74/54/814437454.db2.gz ZIPHLPLUBKMENO-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001135307284 814461005 /nfs/dbraw/zinc/46/10/05/814461005.db2.gz UQMKPUQDNJUWFW-UHFFFAOYSA-N 2 1 295.387 -0.234 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+]CC(N)=O ZINC001135306997 814461063 /nfs/dbraw/zinc/46/10/63/814461063.db2.gz LESLXPJLSCUBDY-UHFFFAOYSA-N 2 1 267.333 -0.837 20 0 CBADMP CCOCCC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135341432 814465186 /nfs/dbraw/zinc/46/51/86/814465186.db2.gz WDPCRCFWBVTYGM-UHFFFAOYSA-N 2 1 287.404 -0.159 20 0 CBADMP C[N@@H+](CC(=O)NCCC[NH2+][C@H]1CCCNC1=O)C1CCC1 ZINC001159997019 815606009 /nfs/dbraw/zinc/60/60/09/815606009.db2.gz BFRKYHTYOKTPLE-ZDUSSCGKSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]Cc1nnn(C)n1 ZINC001135373580 814470879 /nfs/dbraw/zinc/47/08/79/814470879.db2.gz XDIHPYVOACMEBS-MNOVXSKESA-N 2 1 297.407 -0.465 20 0 CBADMP CC[C@@H]([NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001160003478 815607367 /nfs/dbraw/zinc/60/73/67/815607367.db2.gz QAJHACGRJDLCSD-GFCCVEGCSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nncn1C ZINC001135508678 814478681 /nfs/dbraw/zinc/47/86/81/814478681.db2.gz VTYFMETXPKWWGR-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP C[N@@H+](CC(=O)NCCC[NH2+]CCn1cncn1)C1CCC1 ZINC001160003347 815608272 /nfs/dbraw/zinc/60/82/72/815608272.db2.gz KJUYIJZXLWYYAL-UHFFFAOYSA-N 2 1 294.403 -0.142 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C[NH+](CC)CC)n1 ZINC001135511682 814481875 /nfs/dbraw/zinc/48/18/75/814481875.db2.gz YOSCKNBCWYHLCJ-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156510 815612415 /nfs/dbraw/zinc/61/24/15/815612415.db2.gz QQNVJVHVFNEPLF-HZSPNIEDSA-N 3 1 296.415 -0.626 20 0 CBADMP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001160156510 815612418 /nfs/dbraw/zinc/61/24/18/815612418.db2.gz QQNVJVHVFNEPLF-HZSPNIEDSA-N 2 1 296.415 -0.626 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001160274193 815613755 /nfs/dbraw/zinc/61/37/55/815613755.db2.gz QKVNYNUIBDXKCW-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@H](C[C@H](C)[NH2+]CCO)NC(=O)CC[NH+]1CCOCC1 ZINC001135692752 814511247 /nfs/dbraw/zinc/51/12/47/814511247.db2.gz QFHZRMBRTPVLJE-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@@H+]1CC[C@@H]1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001139828207 814627720 /nfs/dbraw/zinc/62/77/20/814627720.db2.gz PEZLNKGPEPBQAO-TZMCWYRMSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[N@H+]1CC[C@@H]1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001139828207 814627729 /nfs/dbraw/zinc/62/77/29/814627729.db2.gz PEZLNKGPEPBQAO-TZMCWYRMSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+]1CC(C(=O)NCCN2CCC[N@@H+](C)CC2)C1 ZINC001142600535 814723416 /nfs/dbraw/zinc/72/34/16/814723416.db2.gz ZRGFAFHSLOSRJE-UHFFFAOYSA-N 2 1 254.378 -0.698 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Cc2cnc[nH]2)C1 ZINC001142904920 814739109 /nfs/dbraw/zinc/73/91/09/814739109.db2.gz PKHAFARRVARINP-LLVKDONJSA-N 2 1 293.371 -0.344 20 0 CBADMP C[NH+]1CCN(c2nccc(N[C@@H]3C[NH2+]C[C@@H]3CO)n2)CC1 ZINC001159682609 815588873 /nfs/dbraw/zinc/58/88/73/815588873.db2.gz SJFSOJLBYSVZPR-VXGBXAGGSA-N 2 1 292.387 -0.779 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001146705462 814843350 /nfs/dbraw/zinc/84/33/50/814843350.db2.gz SDQBJBJIRATQDG-UHFFFAOYSA-N 2 1 285.392 -0.941 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001146705945 814844054 /nfs/dbraw/zinc/84/40/54/814844054.db2.gz ZQSXAOPAJMASQV-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001146705944 814844110 /nfs/dbraw/zinc/84/41/10/814844110.db2.gz ZQSXAOPAJMASQV-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001146711493 814844275 /nfs/dbraw/zinc/84/42/75/814844275.db2.gz TYBHDZLZRXRNBL-UHFFFAOYSA-N 2 1 293.433 -0.531 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001146711141 814844355 /nfs/dbraw/zinc/84/43/55/814844355.db2.gz PISQHVDZINEDKO-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001146711994 814845151 /nfs/dbraw/zinc/84/51/51/814845151.db2.gz YVOISSUJIKJLSM-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH2+]CC(N)=O)c1ccccc1 ZINC001147457571 814895628 /nfs/dbraw/zinc/89/56/28/814895628.db2.gz HHUHYDXPDCKASJ-CQSZACIVSA-N 2 1 292.383 -0.130 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001147877002 814920623 /nfs/dbraw/zinc/92/06/23/814920623.db2.gz BSBQNTUGSLWPMC-LLVKDONJSA-N 2 1 282.388 -0.687 20 0 CBADMP Cn1cncc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877909 814922870 /nfs/dbraw/zinc/92/28/70/814922870.db2.gz PKMHCGAZIOXTIK-LBPRGKRZSA-N 2 1 279.388 -0.032 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001147884916 814922879 /nfs/dbraw/zinc/92/28/79/814922879.db2.gz IBLAJVGBBSIKSE-LBPRGKRZSA-N 2 1 296.415 -0.440 20 0 CBADMP Cn1cncc1C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877908 814922948 /nfs/dbraw/zinc/92/29/48/814922948.db2.gz PKMHCGAZIOXTIK-GFCCVEGCSA-N 2 1 279.388 -0.032 20 0 CBADMP COC[C@H]1COCCC12CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001160059394 815608970 /nfs/dbraw/zinc/60/89/70/815608970.db2.gz PPGIHEJNPAMWII-STQMWFEESA-N 2 1 299.415 -0.046 20 0 CBADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001160454695 815623284 /nfs/dbraw/zinc/62/32/84/815623284.db2.gz QLPTYRFYFONPRI-NEPJUHHUSA-N 2 1 254.378 -0.524 20 0 CBADMP CNC(=O)c1ccc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)nn1 ZINC001160517056 815632543 /nfs/dbraw/zinc/63/25/43/815632543.db2.gz AQHRVPHBOLARMK-CQSZACIVSA-N 2 1 290.371 -0.329 20 0 CBADMP C[N@H+]1C[C@H](C(=O)N2CCC([NH3+])CC2)OC2(CC[NH2+]CC2)C1 ZINC001160511802 815633220 /nfs/dbraw/zinc/63/32/20/815633220.db2.gz VLIIFOIJIRRETE-CYBMUJFWSA-N 2 1 296.415 -0.611 20 0 CBADMP CN1C[C@H](C(=O)N2CCC([NH3+])CC2)OC2(CC[NH2+]CC2)C1 ZINC001160511802 815633225 /nfs/dbraw/zinc/63/32/25/815633225.db2.gz VLIIFOIJIRRETE-CYBMUJFWSA-N 2 1 296.415 -0.611 20 0 CBADMP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H](N)CCC[NH3+] ZINC001160539622 815634521 /nfs/dbraw/zinc/63/45/21/815634521.db2.gz YPPCIESEBKXPBS-VHSXEESVSA-N 2 1 278.360 -0.507 20 0 CBADMP CC(C)(C)N1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001160578329 815640114 /nfs/dbraw/zinc/64/01/14/815640114.db2.gz WCVRBSLKIJQIGX-NSHDSACASA-N 2 1 256.394 -0.005 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC[C@H](n2cncn2)C1 ZINC001160637097 815647963 /nfs/dbraw/zinc/64/79/63/815647963.db2.gz JWSYYWSXWKQIDB-ZDUSSCGKSA-N 2 1 292.387 -0.217 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160647466 815652248 /nfs/dbraw/zinc/65/22/48/815652248.db2.gz KNCFCMWGRNUKBS-AEJSXWLSSA-N 2 1 255.297 -0.823 20 0 CBADMP CN(Cc1ccon1)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160687661 815657707 /nfs/dbraw/zinc/65/77/07/815657707.db2.gz HNTDEDIHYQMPHF-UHFFFAOYSA-N 2 1 252.318 -0.025 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160688049 815657804 /nfs/dbraw/zinc/65/78/04/815657804.db2.gz MGBGKCIAJJAEPK-NSHDSACASA-N 2 1 274.434 -0.440 20 0 CBADMP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001160695105 815658327 /nfs/dbraw/zinc/65/83/27/815658327.db2.gz ILVLCHRSSJSJTF-SFTQSGBHSA-N 2 1 266.389 -0.334 20 0 CBADMP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001160694749 815659218 /nfs/dbraw/zinc/65/92/18/815659218.db2.gz DOAJBJCSLKLNNM-PWSUYJOCSA-N 2 1 265.361 -0.263 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160706027 815661828 /nfs/dbraw/zinc/66/18/28/815661828.db2.gz VKIJBPLTFMLCOK-NKWVEPMBSA-N 2 1 255.240 -0.548 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)C[C@H]2C1 ZINC001160704838 815661851 /nfs/dbraw/zinc/66/18/51/815661851.db2.gz ONIQQTKHFFZORO-XQQFMLRXSA-N 3 1 266.389 -0.667 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC001160725889 815665811 /nfs/dbraw/zinc/66/58/11/815665811.db2.gz GQLWVMJREOGFHS-NSHDSACASA-N 2 1 255.318 -0.817 20 0 CBADMP C[NH+](C)C[C@@H]1COCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160837221 815676478 /nfs/dbraw/zinc/67/64/78/815676478.db2.gz FLTFARAPONHUQU-CYBMUJFWSA-N 3 1 284.404 -0.883 20 0 CBADMP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001160840646 815678018 /nfs/dbraw/zinc/67/80/18/815678018.db2.gz YYWGCAPICFUDFG-NEPJUHHUSA-N 2 1 281.360 -0.932 20 0 CBADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(c2cnc[nH]2)CC1 ZINC001160845693 815678059 /nfs/dbraw/zinc/67/80/59/815678059.db2.gz FVBKKEJSLMFDFU-LBPRGKRZSA-N 2 1 289.383 -0.075 20 0 CBADMP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160866322 815681967 /nfs/dbraw/zinc/68/19/67/815681967.db2.gz AOUJFUXOCIAPMU-RYUDHWBXSA-N 2 1 282.388 -0.416 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(Oc2cnccn2)CC1 ZINC001160891001 815685933 /nfs/dbraw/zinc/68/59/33/815685933.db2.gz WMFGLLMYCFMZHS-NSHDSACASA-N 2 1 279.344 -0.478 20 0 CBADMP C[C@@H]1CN(C(=O)CCN2CC[NH+](C)CC2)CC[NH2+]1 ZINC001161014786 815694615 /nfs/dbraw/zinc/69/46/15/815694615.db2.gz OMQNTTHVHCTGLO-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001161016423 815696744 /nfs/dbraw/zinc/69/67/44/815696744.db2.gz ZLYXLXSKMBRVGO-OLZOCXBDSA-N 3 1 296.415 -0.741 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CN(C)CC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001161016423 815696747 /nfs/dbraw/zinc/69/67/47/815696747.db2.gz ZLYXLXSKMBRVGO-OLZOCXBDSA-N 2 1 296.415 -0.741 20 0 CBADMP COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001161029705 815699462 /nfs/dbraw/zinc/69/94/62/815699462.db2.gz PUMYMDBKTQLBBJ-QWHCGFSZSA-N 2 1 291.351 -0.211 20 0 CBADMP Cc1cnc(NCCN2CC[NH2+]CC2=O)nc1C1C[NH2+]C1 ZINC001161024609 815699654 /nfs/dbraw/zinc/69/96/54/815699654.db2.gz GEMIWWMYUFDQEP-UHFFFAOYSA-N 2 1 290.371 -0.684 20 0 CBADMP NC(=S)C1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001161030748 815700076 /nfs/dbraw/zinc/70/00/76/815700076.db2.gz HGOXNUHQKGBXDH-UHFFFAOYSA-N 2 1 284.429 -0.147 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001161050138 815702675 /nfs/dbraw/zinc/70/26/75/815702675.db2.gz LVFRXIBHBZTVHL-RFQIPJPRSA-N 2 1 280.416 -0.123 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC001161049908 815702820 /nfs/dbraw/zinc/70/28/20/815702820.db2.gz JHLHXCGAKBXPMA-IJLUTSLNSA-N 2 1 255.362 -0.350 20 0 CBADMP Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C)nn1 ZINC001161041770 815703271 /nfs/dbraw/zinc/70/32/71/815703271.db2.gz LPARZQKGQBJLSO-ZDUSSCGKSA-N 2 1 294.403 -0.105 20 0 CBADMP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161042066 815703920 /nfs/dbraw/zinc/70/39/20/815703920.db2.gz NKVFHMRVSAZLBP-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001161049227 815704427 /nfs/dbraw/zinc/70/44/27/815704427.db2.gz DHCIQKOMOFOTPQ-NWDGAFQWSA-N 3 1 256.394 -0.006 20 0 CBADMP CN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161065418 815707479 /nfs/dbraw/zinc/70/74/79/815707479.db2.gz RRRGPZCDVZTDCB-MGPQQGTHSA-N 2 1 297.447 -0.535 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C[C@H]21 ZINC001161081444 815709008 /nfs/dbraw/zinc/70/90/08/815709008.db2.gz KHXZYZJDSHXFKM-BHPKHCPMSA-N 2 1 278.400 -0.510 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001161081181 815709480 /nfs/dbraw/zinc/70/94/80/815709480.db2.gz GSGMIACSDDRRLE-SDDRHHMPSA-N 2 1 269.345 -0.571 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001161081181 815709484 /nfs/dbraw/zinc/70/94/84/815709484.db2.gz GSGMIACSDDRRLE-SDDRHHMPSA-N 2 1 269.345 -0.571 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]21 ZINC001161081141 815709886 /nfs/dbraw/zinc/70/98/86/815709886.db2.gz FVQMJSDBJACPQN-FRRDWIJNSA-N 3 1 268.405 -0.005 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]21 ZINC001161081142 815710070 /nfs/dbraw/zinc/71/00/70/815710070.db2.gz FVQMJSDBJACPQN-RWMBFGLXSA-N 3 1 268.405 -0.005 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@@H]21 ZINC001161081224 815710298 /nfs/dbraw/zinc/71/02/98/815710298.db2.gz HNKNBYPAOQJPMN-KNCOVGOOSA-N 3 1 292.427 -0.262 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C[C@@H]21 ZINC001161082411 815710747 /nfs/dbraw/zinc/71/07/47/815710747.db2.gz ORGMIPDSCRQSOY-UTUOFQBUSA-N 2 1 297.403 -0.685 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@H]21 ZINC001161083189 815710980 /nfs/dbraw/zinc/71/09/80/815710980.db2.gz RCKZHNCCSYYEPG-IJLUTSLNSA-N 3 1 254.378 -0.395 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])C[C@@H]21 ZINC001161082886 815711830 /nfs/dbraw/zinc/71/18/30/815711830.db2.gz QGXNEEUBIZHCJF-AVGNSLFASA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])C[C@H]21 ZINC001161082888 815711887 /nfs/dbraw/zinc/71/18/87/815711887.db2.gz QGXNEEUBIZHCJF-RWMBFGLXSA-N 2 1 294.399 -0.511 20 0 CBADMP CN(CCO)C(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001161107175 815716185 /nfs/dbraw/zinc/71/61/85/815716185.db2.gz BIFLPVYZMHZNPW-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@H]2C1 ZINC001161174781 815724750 /nfs/dbraw/zinc/72/47/50/815724750.db2.gz FKXZIMCNOBLJDG-XQHKEYJVSA-N 2 1 266.389 -0.524 20 0 CBADMP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@H]2C1 ZINC001161174781 815724758 /nfs/dbraw/zinc/72/47/58/815724758.db2.gz FKXZIMCNOBLJDG-XQHKEYJVSA-N 2 1 266.389 -0.524 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@H]2C1 ZINC001161174781 815724765 /nfs/dbraw/zinc/72/47/65/815724765.db2.gz FKXZIMCNOBLJDG-XQHKEYJVSA-N 2 1 266.389 -0.524 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@H]2C1 ZINC001161175282 815725094 /nfs/dbraw/zinc/72/50/94/815725094.db2.gz KEWCUYOHSACMRZ-XQQFMLRXSA-N 3 1 268.405 -0.147 20 0 CBADMP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@H]2C1 ZINC001161174777 815725255 /nfs/dbraw/zinc/72/52/55/815725255.db2.gz FKXZIMCNOBLJDG-LPWJVIDDSA-N 2 1 266.389 -0.524 20 0 CBADMP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH2+]3)C[C@H]2C1 ZINC001161176293 815726357 /nfs/dbraw/zinc/72/63/57/815726357.db2.gz SJEAZIAOGLRRAJ-XQQFMLRXSA-N 2 1 267.373 -0.225 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH2+]3)C[C@H]2C1 ZINC001161176293 815726360 /nfs/dbraw/zinc/72/63/60/815726360.db2.gz SJEAZIAOGLRRAJ-XQQFMLRXSA-N 2 1 267.373 -0.225 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@H]2C1 ZINC001161176389 815726394 /nfs/dbraw/zinc/72/63/94/815726394.db2.gz TZUHTJQEJDBNCX-RNJOBUHISA-N 2 1 267.373 -0.491 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(N)CC[NH2+]C3)C[C@H]2C1 ZINC001161176265 815726632 /nfs/dbraw/zinc/72/66/32/815726632.db2.gz RPPKPDLUZAHIFK-MBNYWOFBSA-N 2 1 266.389 -0.523 20 0 CBADMP C[C@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC001161229782 815729974 /nfs/dbraw/zinc/72/99/74/815729974.db2.gz VNOJGISEDYMPOH-QWRGUYRKSA-N 3 1 254.378 -0.463 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001161269943 815735797 /nfs/dbraw/zinc/73/57/97/815735797.db2.gz GAJQWFJMWXWPGX-CYBMUJFWSA-N 2 1 282.388 -0.545 20 0 CBADMP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2COC[NH2+]2)CC1 ZINC001161306589 815738447 /nfs/dbraw/zinc/73/84/47/815738447.db2.gz RSAVSAJRPOKQOW-LBPRGKRZSA-N 2 1 276.340 -0.015 20 0 CBADMP CCN(C(=O)c1nnn2c1C[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001161346000 815746345 /nfs/dbraw/zinc/74/63/45/815746345.db2.gz HVAFRUCQHXRKBT-SNVBAGLBSA-N 2 1 278.360 -0.405 20 0 CBADMP CC(C)N(C(=O)[C@H](N)CN1CCC([NH3+])CC1)[C@H]1CC[NH2+]C1 ZINC001161353738 815747319 /nfs/dbraw/zinc/74/73/19/815747319.db2.gz YPDYNRYLBVTEQC-UONOGXRCSA-N 2 1 297.447 -0.664 20 0 CBADMP Cn1cc(N)nc1C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161379747 815748302 /nfs/dbraw/zinc/74/83/02/815748302.db2.gz HPSNAEITMZXWDC-NSHDSACASA-N 2 1 292.387 -0.360 20 0 CBADMP N[C@H](C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1)C(F)(F)F ZINC001161377557 815748909 /nfs/dbraw/zinc/74/89/09/815748909.db2.gz HPXLRDRQVBNRAR-NXEZZACHSA-N 2 1 294.321 -0.100 20 0 CBADMP Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC001161385835 815749034 /nfs/dbraw/zinc/74/90/34/815749034.db2.gz CEQNTRLBUBGXIB-AGIUHOORSA-N 2 1 291.351 -0.050 20 0 CBADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3COCC[NH2+]3)C2)CC1 ZINC001161381662 815749170 /nfs/dbraw/zinc/74/91/70/815749170.db2.gz YUROKFYXXRQNSI-KGLIPLIRSA-N 3 1 296.415 -0.611 20 0 CBADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@@H]12 ZINC001161413845 815751285 /nfs/dbraw/zinc/75/12/85/815751285.db2.gz RKMHQPXEGSAFCY-RAIGVLPGSA-N 3 1 266.389 -0.476 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412040 815751599 /nfs/dbraw/zinc/75/15/99/815751599.db2.gz FKLXWOSKLZKZHL-GMNPVEAJSA-N 2 1 263.345 -0.525 20 0 CBADMP N[C@@H]1C[C@]2(C(=O)N3C[C@@H]4[C@H]([NH3+])CC[C@@H]4C3)CC[C@H]1[NH2+]2 ZINC001161412425 815751777 /nfs/dbraw/zinc/75/17/77/815751777.db2.gz KGSFZIPCGGQUNC-AIUQGNKQSA-N 2 1 264.373 -0.596 20 0 CBADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423753 815753562 /nfs/dbraw/zinc/75/35/62/815753562.db2.gz MDNFWGMPAOQKQX-STQMWFEESA-N 2 1 282.388 -0.463 20 0 CBADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423752 815753879 /nfs/dbraw/zinc/75/38/79/815753879.db2.gz MDNFWGMPAOQKQX-OLZOCXBDSA-N 2 1 282.388 -0.463 20 0 CBADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161424133 815754632 /nfs/dbraw/zinc/75/46/32/815754632.db2.gz ZHECVDQAIBQYDK-XQQFMLRXSA-N 2 1 296.415 -0.219 20 0 CBADMP [NH3+][C@@H](C(=O)N1CC[N@H+]2CC[C@H]2C1)C1CC[NH2+]CC1 ZINC001161424146 815755421 /nfs/dbraw/zinc/75/54/21/815755421.db2.gz ZQXMKGRRDNCSEX-NWDGAFQWSA-N 3 1 252.362 -0.770 20 0 CBADMP [NH3+][C@@H](C(=O)N1CCN2CC[C@H]2C1)C1CC[NH2+]CC1 ZINC001161424146 815755427 /nfs/dbraw/zinc/75/54/27/815755427.db2.gz ZQXMKGRRDNCSEX-NWDGAFQWSA-N 2 1 252.362 -0.770 20 0 CBADMP C[NH+](C)CCN(C(=O)CNCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161444470 815755758 /nfs/dbraw/zinc/75/57/58/815755758.db2.gz ILFDTIBAKDMWFS-ZDUSSCGKSA-N 3 1 285.436 -0.933 20 0 CBADMP C[C@]1(C[NH3+])CCCN(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001161489969 815761217 /nfs/dbraw/zinc/76/12/17/815761217.db2.gz SMZYQDBMRHYWFT-DGCLKSJQSA-N 2 1 265.361 -0.133 20 0 CBADMP CO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)(C)C)CCN2)C[C@@H]1[NH3+] ZINC001161493072 815761703 /nfs/dbraw/zinc/76/17/03/815761703.db2.gz BJAXLNSKGQKBBG-QJPTWQEYSA-N 2 1 284.404 -0.757 20 0 CBADMP C[N@@H+](C1CN(C(=O)[C@H]2CC[NH2+]C[C@@H]2F)C1)[C@H]1CCOC1 ZINC001161498609 815763530 /nfs/dbraw/zinc/76/35/30/815763530.db2.gz GMQSSKDQHSJJOM-DRZSPHRISA-N 2 1 285.363 -0.135 20 0 CBADMP C[N@@H+](C1CN(C(=O)[C@H]2CC[C@@H]2[NH3+])C1)[C@H]1CCOC1 ZINC001161500072 815763642 /nfs/dbraw/zinc/76/36/42/815763642.db2.gz UETGZKUNVSEGNZ-DLOVCJGASA-N 2 1 253.346 -0.345 20 0 CBADMP [NH3+][C@H](C(=O)N1C[C@H]([NH3+])C2(COC2)C1)c1ccsc1 ZINC001161498546 815763838 /nfs/dbraw/zinc/76/38/38/815763838.db2.gz AZPKQZGBGXEQSC-UWVGGRQHSA-N 2 1 267.354 -0.066 20 0 CBADMP C[N@@H+](C1CN(C(=O)[C@]2(C)CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC001161501044 815765020 /nfs/dbraw/zinc/76/50/20/815765020.db2.gz XEBAEQBZIDPNAT-SMDDNHRTSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NCCC[NH2+]CCCO)no1 ZINC001161552472 815770940 /nfs/dbraw/zinc/77/09/40/815770940.db2.gz RUECXJWBCPHNEM-UHFFFAOYSA-N 2 1 284.360 -0.172 20 0 CBADMP C[C@@H](O)C[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161552697 815771280 /nfs/dbraw/zinc/77/12/80/815771280.db2.gz SKTFPTUPJYDXDH-SNVBAGLBSA-N 2 1 284.360 -0.174 20 0 CBADMP CC(=O)NCCNc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001161654616 815776306 /nfs/dbraw/zinc/77/63/06/815776306.db2.gz QPTISDZKLPYBOZ-UHFFFAOYSA-N 2 1 278.360 -0.048 20 0 CBADMP c1nc(CNc2nc(N3CC[NH2+]CC3)cc[nH+]2)no1 ZINC001162277430 815809954 /nfs/dbraw/zinc/80/99/54/815809954.db2.gz RTLZCPPQBDZTGT-UHFFFAOYSA-N 2 1 261.289 -0.119 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001162606723 815836604 /nfs/dbraw/zinc/83/66/04/815836604.db2.gz VCCQOCBRYOLDBT-UHFFFAOYSA-N 2 1 291.359 -0.384 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001162605395 815837258 /nfs/dbraw/zinc/83/72/58/815837258.db2.gz AZXYRRGVIONPMY-GFCCVEGCSA-N 2 1 295.387 -0.236 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001162605346 815837792 /nfs/dbraw/zinc/83/77/92/815837792.db2.gz ACWIWVSGTMFINZ-NSHDSACASA-N 2 1 279.344 -0.824 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162606030 815837802 /nfs/dbraw/zinc/83/78/02/815837802.db2.gz LPEQNMJVENQKBR-UHFFFAOYSA-N 2 1 267.333 -0.967 20 0 CBADMP O=C(Cn1c[nH+]c2c1CCCC2)NCCC[NH2+]CCO ZINC001162679086 815839761 /nfs/dbraw/zinc/83/97/61/815839761.db2.gz MDISKPYZGVLOES-UHFFFAOYSA-N 2 1 280.372 -0.150 20 0 CBADMP [NH3+][C@H]1COC[C@H]1Nc1nc(Cl)nc2c1C[NH2+]C2 ZINC001162915005 815846836 /nfs/dbraw/zinc/84/68/36/815846836.db2.gz ZUJFBNBLRHMWQY-POYBYMJQSA-N 2 1 255.709 -0.129 20 0 CBADMP [NH3+]C1CCN(c2cc[nH+]c(NC[C@H]3CNC(=O)O3)n2)CC1 ZINC001163018844 815853842 /nfs/dbraw/zinc/85/38/42/815853842.db2.gz KHPWSWFOQINOST-JTQLQIEISA-N 2 1 292.343 -0.076 20 0 CBADMP Cc1[nH+]ccn1-c1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)ncn1 ZINC001163234929 815866826 /nfs/dbraw/zinc/86/68/26/815866826.db2.gz CLLAZJNAYYOSNC-HZMBPMFUSA-N 2 1 299.338 -0.039 20 0 CBADMP C[NH2+]CCN(C)c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001163722114 815897539 /nfs/dbraw/zinc/89/75/39/815897539.db2.gz AXKSPCRNJDCXIC-UHFFFAOYSA-N 2 1 264.377 -0.116 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCNC(=O)CCC[NH+](C)C)C1 ZINC001293072325 816500557 /nfs/dbraw/zinc/50/05/57/816500557.db2.gz XZZABBYSALLUCV-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CN(CCOCC[N@@H+](C)CCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001316767626 816878305 /nfs/dbraw/zinc/87/83/05/816878305.db2.gz UAPUGZGKIVAJOP-ZDUSSCGKSA-N 2 1 287.404 -0.663 20 0 CBADMP CN(CCOCC[NH+](C)CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001316767626 816878312 /nfs/dbraw/zinc/87/83/12/816878312.db2.gz UAPUGZGKIVAJOP-ZDUSSCGKSA-N 2 1 287.404 -0.663 20 0 CBADMP CN(CCOCC[NH+](C)CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001316767626 816878319 /nfs/dbraw/zinc/87/83/19/816878319.db2.gz UAPUGZGKIVAJOP-ZDUSSCGKSA-N 2 1 287.404 -0.663 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001316791515 816879325 /nfs/dbraw/zinc/87/93/25/816879325.db2.gz PZNFMLJTSUXKFT-UTUOFQBUSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(N)=O ZINC001316886689 816896883 /nfs/dbraw/zinc/89/68/83/816896883.db2.gz HQKOXAIAUCMDJB-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)CC(N)=O ZINC001316886689 816896886 /nfs/dbraw/zinc/89/68/86/816896886.db2.gz HQKOXAIAUCMDJB-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)CC(N)=O ZINC001316886689 816896897 /nfs/dbraw/zinc/89/68/97/816896897.db2.gz HQKOXAIAUCMDJB-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH2+]CCO)C2)C1 ZINC001317161150 816937203 /nfs/dbraw/zinc/93/72/03/816937203.db2.gz AIAZCGSPTCEJOO-CHWSQXEVSA-N 2 1 269.389 -0.241 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCO ZINC001317393166 816971140 /nfs/dbraw/zinc/97/11/40/816971140.db2.gz NHWKTVKUEVFUOA-IJLUTSLNSA-N 2 1 257.378 -0.197 20 0 CBADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CCO ZINC001317407957 816974205 /nfs/dbraw/zinc/97/42/05/816974205.db2.gz ZUTXBIZZPSODCL-VXGBXAGGSA-N 2 1 257.378 -0.195 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+](CCCO)C2CC2)C1 ZINC001317562370 817009919 /nfs/dbraw/zinc/00/99/19/817009919.db2.gz ZXLPNORLZCLKPG-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC[N@H+](CCCO)C2CC2)C1 ZINC001317562370 817009926 /nfs/dbraw/zinc/00/99/26/817009926.db2.gz ZXLPNORLZCLKPG-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC[N@@H+](CCCO)C2CC2)C1 ZINC001317562370 817009932 /nfs/dbraw/zinc/00/99/32/817009932.db2.gz ZXLPNORLZCLKPG-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001317574594 817017323 /nfs/dbraw/zinc/01/73/23/817017323.db2.gz ZCLUQMMPYBMXHH-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CN(CC[NH2+]CC[C@H]1CCCO1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001317578273 817018348 /nfs/dbraw/zinc/01/83/48/817018348.db2.gz JLCLWKSSVVZXDG-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CN(CC[NH2+]CC[C@H]1CCCO1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001317578273 817018352 /nfs/dbraw/zinc/01/83/52/817018352.db2.gz JLCLWKSSVVZXDG-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCn1ncnc1C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317660239 817040330 /nfs/dbraw/zinc/04/03/30/817040330.db2.gz BCHNPVNOVABQMS-LBPRGKRZSA-N 2 1 294.403 -0.202 20 0 CBADMP CCn1ncnc1C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317660239 817040338 /nfs/dbraw/zinc/04/03/38/817040338.db2.gz BCHNPVNOVABQMS-LBPRGKRZSA-N 2 1 294.403 -0.202 20 0 CBADMP COCCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001318241699 817089639 /nfs/dbraw/zinc/08/96/39/817089639.db2.gz ZQLIKDIRYMZESS-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001318241699 817089647 /nfs/dbraw/zinc/08/96/47/817089647.db2.gz ZQLIKDIRYMZESS-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001318241699 817089659 /nfs/dbraw/zinc/08/96/59/817089659.db2.gz ZQLIKDIRYMZESS-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001318845916 817143566 /nfs/dbraw/zinc/14/35/66/817143566.db2.gz VVKWTNTXAPRNJH-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@H+]1C ZINC001318845916 817143568 /nfs/dbraw/zinc/14/35/68/817143568.db2.gz VVKWTNTXAPRNJH-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)C[NH2+]CCCO)C1 ZINC001319281214 817184899 /nfs/dbraw/zinc/18/48/99/817184899.db2.gz GKWGHMWXQPBIKC-QWHCGFSZSA-N 2 1 287.404 -0.569 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)C[NH2+]CCCO)C1 ZINC001319281214 817184907 /nfs/dbraw/zinc/18/49/07/817184907.db2.gz GKWGHMWXQPBIKC-QWHCGFSZSA-N 2 1 287.404 -0.569 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCO ZINC001319956960 817259334 /nfs/dbraw/zinc/25/93/34/817259334.db2.gz HAYIPCDGOIDZRT-NEPJUHHUSA-N 2 1 257.378 -0.339 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001320199363 817288692 /nfs/dbraw/zinc/28/86/92/817288692.db2.gz BMYSPEXWDJQMJX-STQMWFEESA-N 2 1 269.389 -0.053 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1CCC1 ZINC001320199357 817288963 /nfs/dbraw/zinc/28/89/63/817288963.db2.gz BMYSPEXWDJQMJX-OLZOCXBDSA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@H](CC[NH2+]CC(N)=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001320550978 817354579 /nfs/dbraw/zinc/35/45/79/817354579.db2.gz YREVUFCEYBBIRA-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001321119710 817444851 /nfs/dbraw/zinc/44/48/51/817444851.db2.gz BTRCRANVUDNQGC-DFPOMNKCSA-N 2 1 282.388 -0.394 20 0 CBADMP COCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001321393691 817494598 /nfs/dbraw/zinc/49/45/98/817494598.db2.gz UJTJGDCEFMKREE-MVZIDQBPSA-N 2 1 255.362 -0.154 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188956430 823726440 /nfs/dbraw/zinc/72/64/40/823726440.db2.gz JLEQJOYMRZQVDO-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188956430 823726445 /nfs/dbraw/zinc/72/64/45/823726445.db2.gz JLEQJOYMRZQVDO-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CCO)C1 ZINC001193278922 824017650 /nfs/dbraw/zinc/01/76/50/824017650.db2.gz LILYLRWHTPUMBA-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC001193278922 824017655 /nfs/dbraw/zinc/01/76/55/824017655.db2.gz LILYLRWHTPUMBA-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001193278922 824017659 /nfs/dbraw/zinc/01/76/59/824017659.db2.gz LILYLRWHTPUMBA-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001163822088 819855118 /nfs/dbraw/zinc/85/51/18/819855118.db2.gz RTASLVNNKIDFAS-VXGBXAGGSA-N 2 1 296.415 -0.170 20 0 CBADMP COCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163939696 819871053 /nfs/dbraw/zinc/87/10/53/819871053.db2.gz DSIUAVWXRJRNLZ-ZDUSSCGKSA-N 2 1 299.415 -0.161 20 0 CBADMP COCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163939696 819871064 /nfs/dbraw/zinc/87/10/64/819871064.db2.gz DSIUAVWXRJRNLZ-ZDUSSCGKSA-N 2 1 299.415 -0.161 20 0 CBADMP [NH3+]C1CCN(c2cc[nH+]c(N3CCCNC(=O)C3)n2)CC1 ZINC001164279327 819897090 /nfs/dbraw/zinc/89/70/90/819897090.db2.gz JOGLLXAJLGYJBF-UHFFFAOYSA-N 2 1 290.371 -0.270 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCO)C1 ZINC001164536692 819922978 /nfs/dbraw/zinc/92/29/78/819922978.db2.gz WEVPKHLPUCRQOZ-GFCCVEGCSA-N 2 1 273.377 -0.816 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCCO)C1 ZINC001164535979 819923100 /nfs/dbraw/zinc/92/31/00/819923100.db2.gz IXDOKHMGBQFNQN-CYBMUJFWSA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)CC[N@H+]1C ZINC001164582729 819931510 /nfs/dbraw/zinc/93/15/10/819931510.db2.gz ODTHCLPHHGNDIX-VXGBXAGGSA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)CC[N@H+]1C ZINC001164574764 819931759 /nfs/dbraw/zinc/93/17/59/819931759.db2.gz ZFOOKNLWYJCKGA-RWMBFGLXSA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH+]1CCN(c2nccc(N3C[C@@H]([NH3+])[C@H](F)C3)n2)CC1 ZINC001165118247 819939906 /nfs/dbraw/zinc/93/99/06/819939906.db2.gz RURLFHOUOIDGQS-GHMZBOCLSA-N 2 1 280.351 -0.286 20 0 CBADMP C[NH+]1CCN(c2nccc(N3C[C@@H]4[NH2+]C[C@H]4C3)n2)CC1 ZINC001165195148 819942610 /nfs/dbraw/zinc/94/26/10/819942610.db2.gz UNUUDAGRJKEJTE-RYUDHWBXSA-N 2 1 274.372 -0.364 20 0 CBADMP Nc1cc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)nc[nH+]1 ZINC001165344987 819957469 /nfs/dbraw/zinc/95/74/69/819957469.db2.gz HBDCBMFHHUDLAS-ZDUSSCGKSA-N 2 1 279.344 -0.356 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001166633677 820008178 /nfs/dbraw/zinc/00/81/78/820008178.db2.gz JIYMUSPCSDDUFO-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001166627459 820008495 /nfs/dbraw/zinc/00/84/95/820008495.db2.gz WBLRTPNJDPSHSD-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP C[C@H](O)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166626608 820009171 /nfs/dbraw/zinc/00/91/71/820009171.db2.gz HRTSWBGPILZDMA-RYUDHWBXSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001166626988 820010254 /nfs/dbraw/zinc/01/02/54/820010254.db2.gz NMBJXBYWAKESAD-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166678456 820017211 /nfs/dbraw/zinc/01/72/11/820017211.db2.gz VOBFFLPUJUYUHJ-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001166694019 820017380 /nfs/dbraw/zinc/01/73/80/820017380.db2.gz UNHMXORFNSQKJM-YPMHNXCESA-N 2 1 294.403 -0.391 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001166709434 820018285 /nfs/dbraw/zinc/01/82/85/820018285.db2.gz ZSDFDRXFKIMRLY-QWRGUYRKSA-N 2 1 295.391 -0.996 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1ncnn1C ZINC001166708444 820018324 /nfs/dbraw/zinc/01/83/24/820018324.db2.gz QPSPHJJGKGGXMY-VXGBXAGGSA-N 2 1 294.403 -0.391 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001166715141 820018446 /nfs/dbraw/zinc/01/84/46/820018446.db2.gz SMVMADNZJDLUJE-AAEUAGOBSA-N 2 1 294.403 -0.391 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001166708640 820018535 /nfs/dbraw/zinc/01/85/35/820018535.db2.gz VLMIJRITPMPCQC-DGCLKSJQSA-N 2 1 294.403 -0.391 20 0 CBADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CCO[C@@H](C[NH3+])C3)c12 ZINC001166940986 820050014 /nfs/dbraw/zinc/05/00/14/820050014.db2.gz VSQNSPAGWUASQC-QMMMGPOBSA-N 2 1 291.311 -0.092 20 0 CBADMP CN(c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2)C1C[NH2+]C1 ZINC001166978581 820059746 /nfs/dbraw/zinc/05/97/46/820059746.db2.gz SZSNWGJEQPSBBY-UHFFFAOYSA-N 2 1 290.371 -0.676 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001167348214 820083883 /nfs/dbraw/zinc/08/38/83/820083883.db2.gz RYQXZRXVGLIFJR-UHFFFAOYSA-N 2 1 286.343 -0.990 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001167471355 820092319 /nfs/dbraw/zinc/09/23/19/820092319.db2.gz GJQGXVNHROUAHH-LLVKDONJSA-N 2 1 295.387 -0.024 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001167627186 820108448 /nfs/dbraw/zinc/10/84/48/820108448.db2.gz LFGMWRPXSUNHIM-GFCCVEGCSA-N 2 1 284.404 -0.170 20 0 CBADMP COCC[N@@H+](C)Cc1ccnc(-n2nnc(CC[NH3+])n2)c1 ZINC001167790137 820117322 /nfs/dbraw/zinc/11/73/22/820117322.db2.gz DWAXBFOYCTUILW-UHFFFAOYSA-N 2 1 291.359 -0.363 20 0 CBADMP Cc1[nH+]ccn1-c1ccc(-n2nnc(CC[NH3+])n2)nn1 ZINC001167789977 820118112 /nfs/dbraw/zinc/11/81/12/820118112.db2.gz AYKDIUAHIHLOFQ-UHFFFAOYSA-N 2 1 271.288 -0.552 20 0 CBADMP CS(=O)(=O)c1cnc(NC(=[NH2+])NCCCC[NH3+])nc1 ZINC001167880404 820125222 /nfs/dbraw/zinc/12/52/22/820125222.db2.gz LOQWFDWMXSWUQF-UHFFFAOYSA-N 2 1 286.361 -0.445 20 0 CBADMP OCC(CO)(CO)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001167927819 820130867 /nfs/dbraw/zinc/13/08/67/820130867.db2.gz BWJNQXJIIJKIOJ-UHFFFAOYSA-N 2 1 292.339 -0.851 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCO[C@@H](C)C1 ZINC001168081645 820144099 /nfs/dbraw/zinc/14/40/99/820144099.db2.gz YWDMAYVCBWIEPV-DCAQKATOSA-N 2 1 286.376 -0.052 20 0 CBADMP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168135990 820145504 /nfs/dbraw/zinc/14/55/04/820145504.db2.gz DNYOXYSOQGAIQH-GFCCVEGCSA-N 2 1 296.415 -0.440 20 0 CBADMP C[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001168139278 820146131 /nfs/dbraw/zinc/14/61/31/820146131.db2.gz ZLFJERQWSXLASQ-NWDGAFQWSA-N 2 1 296.415 -0.312 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001168363592 820159455 /nfs/dbraw/zinc/15/94/55/820159455.db2.gz LIAWNHCCUYPGJZ-LLVKDONJSA-N 2 1 295.387 -0.059 20 0 CBADMP O=C(CCCC[NH+]1CCOCC1)NCCC[NH2+]CCO ZINC001168383159 820160738 /nfs/dbraw/zinc/16/07/38/820160738.db2.gz GCAFJRQEWZNMDD-UHFFFAOYSA-N 2 1 287.404 -0.423 20 0 CBADMP C[C@@H](O)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417594 820162177 /nfs/dbraw/zinc/16/21/77/820162177.db2.gz VJCJVNYNQIXMNA-GFCCVEGCSA-N 2 1 273.377 -0.815 20 0 CBADMP [NH3+]Cc1nc(=O)[nH]n1-c1ncccc1N1CC[NH2+]CC1 ZINC001168756759 820176813 /nfs/dbraw/zinc/17/68/13/820176813.db2.gz VKTPSCDXVBVPQU-UHFFFAOYSA-N 2 1 275.316 -0.764 20 0 CBADMP [NH3+]Cc1ncn(-c2ccc(C(=O)N3CC[NH2+]CC3)cc2)n1 ZINC001168757441 820178722 /nfs/dbraw/zinc/17/87/22/820178722.db2.gz WOQOTHXMNGYOEX-UHFFFAOYSA-N 2 1 286.339 -0.229 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169114989 820208286 /nfs/dbraw/zinc/20/82/86/820208286.db2.gz FZKNLBFIEBQCAJ-YFKTTZPYSA-N 2 1 283.372 -0.121 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169114989 820208290 /nfs/dbraw/zinc/20/82/90/820208290.db2.gz FZKNLBFIEBQCAJ-YFKTTZPYSA-N 2 1 283.372 -0.121 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCN(CC[NH3+])CC2)CO1 ZINC001169320198 820230019 /nfs/dbraw/zinc/23/00/19/820230019.db2.gz JBMFONRWLRHLSB-STQMWFEESA-N 2 1 285.388 -0.327 20 0 CBADMP CC(=O)N1CC[C@H]([NH+]2CCN(CCC[NH3+])CC2)C1 ZINC001169507127 820249378 /nfs/dbraw/zinc/24/93/78/820249378.db2.gz OPLAWMFLVWHJOD-ZDUSSCGKSA-N 2 1 254.378 -0.426 20 0 CBADMP CC(=O)N1CC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001169506246 820249434 /nfs/dbraw/zinc/24/94/34/820249434.db2.gz DQIVVKITGDSRBW-CYBMUJFWSA-N 2 1 282.388 -0.639 20 0 CBADMP CNC(=O)[C@H](C)Nc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001169979622 820271464 /nfs/dbraw/zinc/27/14/64/820271464.db2.gz GLEUCSJWNKQHHT-VIFPVBQESA-N 2 1 264.333 -0.567 20 0 CBADMP C[C@H](CCCC[NH2+]CCO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169991260 820272733 /nfs/dbraw/zinc/27/27/33/820272733.db2.gz MLMQPPMHBYFIAZ-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@H](CCCC[NH2+]CCO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169991260 820272738 /nfs/dbraw/zinc/27/27/38/820272738.db2.gz MLMQPPMHBYFIAZ-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP C[NH+]1CCN(c2ncc(NC[C@@H]3COCC[NH2+]3)cn2)CC1 ZINC001170042801 820276533 /nfs/dbraw/zinc/27/65/33/820276533.db2.gz DXILHFNCXNDXGT-CYBMUJFWSA-N 2 1 292.387 -0.371 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001170211937 820279728 /nfs/dbraw/zinc/27/97/28/820279728.db2.gz SDZLSBQEVUNCIQ-UHFFFAOYSA-N 2 1 293.433 -0.531 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001170211082 820280631 /nfs/dbraw/zinc/28/06/31/820280631.db2.gz IOEVVZLHRAQYNM-UHFFFAOYSA-N 2 1 298.391 -0.954 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001170222466 820282859 /nfs/dbraw/zinc/28/28/59/820282859.db2.gz KIPHJOWTERTLKF-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CN(C)c1nc(NCCOCCOCC[NH3+])cc[nH+]1 ZINC001170505033 820297902 /nfs/dbraw/zinc/29/79/02/820297902.db2.gz JHDGYHGQJIDWPD-UHFFFAOYSA-N 2 1 269.349 -0.054 20 0 CBADMP CC(=O)N[C@H]1C[C@H](Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC001170576606 820307520 /nfs/dbraw/zinc/30/75/20/820307520.db2.gz PXDWLJFIXJVGRY-HAQNSBGRSA-N 2 1 290.371 -0.035 20 0 CBADMP OCC[NH+](CCO)CCC[NH2+][C@@H]1CCCOCC1 ZINC001170777230 820319702 /nfs/dbraw/zinc/31/97/02/820319702.db2.gz XHQVTGDIUMFBMS-CYBMUJFWSA-N 2 1 260.378 -0.178 20 0 CBADMP C[NH+]1CCN(c2nccnc2N[C@@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001170776605 820319846 /nfs/dbraw/zinc/31/98/46/820319846.db2.gz HEEOQCAMEASSFB-VXGBXAGGSA-N 2 1 292.387 -0.779 20 0 CBADMP COC(=O)[C@@H]([NH3+])Cc1ccc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC001170778332 820320775 /nfs/dbraw/zinc/32/07/75/820320775.db2.gz LINWQFWWEXESIC-KWCYVHTRSA-N 2 1 293.367 -0.278 20 0 CBADMP C[NH+]1CCN(c2ncc(N[C@H]3C[NH2+]C[C@H]3CO)cn2)CC1 ZINC001170777877 820320926 /nfs/dbraw/zinc/32/09/26/820320926.db2.gz FLIDEKXUODEMKT-AAEUAGOBSA-N 2 1 292.387 -0.779 20 0 CBADMP Cc1[nH+]ccn1-c1ccc(N[C@H]2C[NH2+]C[C@H]2CO)nn1 ZINC001170779784 820322188 /nfs/dbraw/zinc/32/21/88/820322188.db2.gz QXHRRBGCEJUFHI-QWRGUYRKSA-N 2 1 274.328 -0.037 20 0 CBADMP N[C@H](CCC[NH3+])Nc1ccc2c(n1)OCC[NH2+]C2 ZINC001170897396 820332880 /nfs/dbraw/zinc/33/28/80/820332880.db2.gz GROHLLWQKMLPFU-JTQLQIEISA-N 2 1 251.334 -0.001 20 0 CBADMP N[C@@H](CCC[NH3+])Nc1ccc2c(n1)OCC[NH2+]C2 ZINC001170897397 820333541 /nfs/dbraw/zinc/33/35/41/820333541.db2.gz GROHLLWQKMLPFU-SNVBAGLBSA-N 2 1 251.334 -0.001 20 0 CBADMP Cc1cnc(S(C)(=O)=O)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170898055 820334142 /nfs/dbraw/zinc/33/41/42/820334142.db2.gz KXYYFVMZKMYNAI-MRVPVSSYSA-N 2 1 273.362 -0.376 20 0 CBADMP N[C@@H](CCC[NH3+])Nc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001170899153 820335573 /nfs/dbraw/zinc/33/55/73/820335573.db2.gz IAGHUQUTCXMRPR-GHMZBOCLSA-N 2 1 266.349 -0.347 20 0 CBADMP N[C@@H](CCC[NH3+])Nc1ncccc1N1CC[NH2+]CC1 ZINC001170898883 820335641 /nfs/dbraw/zinc/33/56/41/820335641.db2.gz RCYKJDQWZPRUMO-GFCCVEGCSA-N 2 1 264.377 -0.073 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001171226950 820350305 /nfs/dbraw/zinc/35/03/05/820350305.db2.gz KVHMJIQBAGCVBS-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP CC[C@@H]([NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001171227033 820352172 /nfs/dbraw/zinc/35/21/72/820352172.db2.gz LVJNEEUXJNYTDH-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001171762995 820371176 /nfs/dbraw/zinc/37/11/76/820371176.db2.gz PMLADUVWOZVMFB-JTQLQIEISA-N 2 1 258.366 -0.702 20 0 CBADMP C[NH+]1C(C)(C)CC([NH2+]C(CO)(CO)CO)CC1(C)C ZINC001171621563 820363964 /nfs/dbraw/zinc/36/39/64/820363964.db2.gz MVODEOLNAKZAEU-UHFFFAOYSA-N 2 1 274.405 -0.057 20 0 CBADMP C[NH+]1C(C)(C)CC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1(C)C ZINC001171630081 820366422 /nfs/dbraw/zinc/36/64/22/820366422.db2.gz HWJDWEHHUJRDSF-AVGNSLFASA-N 2 1 296.463 -0.370 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001171726037 820369835 /nfs/dbraw/zinc/36/98/35/820369835.db2.gz UUNIWMOGXIXBRY-LLVKDONJSA-N 2 1 272.393 -0.312 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1nncn1C ZINC001171757670 820370781 /nfs/dbraw/zinc/37/07/81/820370781.db2.gz MMUBKOVBTLNFGT-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001171763273 820370901 /nfs/dbraw/zinc/37/09/01/820370901.db2.gz WYUMQVFNTMCPPD-NSHDSACASA-N 2 1 297.407 -0.291 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O ZINC001171816640 820371585 /nfs/dbraw/zinc/37/15/85/820371585.db2.gz LAMYTZGYCYOLBO-NSHDSACASA-N 2 1 295.387 -0.059 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCC[NH+](CCO)CCO)CC1=O ZINC001172024274 820378524 /nfs/dbraw/zinc/37/85/24/820378524.db2.gz WJKIUPSFLKXUDM-CYBMUJFWSA-N 2 1 287.404 -0.736 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118897 820381988 /nfs/dbraw/zinc/38/19/88/820381988.db2.gz UEHRVQJUPIFIOM-ZSBIGDGJSA-N 2 1 283.372 -0.120 20 0 CBADMP OCC[NH+](CCO)CCC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172229261 820391194 /nfs/dbraw/zinc/39/11/94/820391194.db2.gz UJTLCHXVZABXJO-AGUYFDCRSA-N 2 1 270.373 -0.261 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176072200 820438847 /nfs/dbraw/zinc/43/88/47/820438847.db2.gz MTRCHFYVNZOHKP-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP Cc1noc(C[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001176071665 820438865 /nfs/dbraw/zinc/43/88/65/820438865.db2.gz HONBTZZPTGBZKE-NSHDSACASA-N 2 1 281.360 -0.074 20 0 CBADMP Cc1noc(C[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001176071665 820438869 /nfs/dbraw/zinc/43/88/69/820438869.db2.gz HONBTZZPTGBZKE-NSHDSACASA-N 2 1 281.360 -0.074 20 0 CBADMP Cn1ccnc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176070938 820438877 /nfs/dbraw/zinc/43/88/77/820438877.db2.gz ACVZULNZKFGRKX-GFCCVEGCSA-N 2 1 279.388 -0.032 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001176096353 820439892 /nfs/dbraw/zinc/43/98/92/820439892.db2.gz RBPJQHFQOKIJIN-RYUDHWBXSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H](C)COC)C1 ZINC001176636426 820455292 /nfs/dbraw/zinc/45/52/92/820455292.db2.gz OOCWLXGUAIKVNP-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H](C)COC)C1 ZINC001176636426 820455298 /nfs/dbraw/zinc/45/52/98/820455298.db2.gz OOCWLXGUAIKVNP-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001176972357 820484887 /nfs/dbraw/zinc/48/48/87/820484887.db2.gz XWFLWIATMXWCQH-UHFFFAOYSA-N 2 1 293.433 -0.533 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176972403 820485294 /nfs/dbraw/zinc/48/52/94/820485294.db2.gz ZQEKNIMPSMDVEV-UHFFFAOYSA-N 2 1 272.393 -0.441 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001176971503 820485606 /nfs/dbraw/zinc/48/56/06/820485606.db2.gz AJBDGZTZMQRKRP-GFCCVEGCSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001176986455 820486680 /nfs/dbraw/zinc/48/66/80/820486680.db2.gz OTWZNONLQJDHDP-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177629788 820530483 /nfs/dbraw/zinc/53/04/83/820530483.db2.gz WEWIVPQIXYOXDX-ZDUSSCGKSA-N 2 1 281.356 -0.058 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177629788 820530489 /nfs/dbraw/zinc/53/04/89/820530489.db2.gz WEWIVPQIXYOXDX-ZDUSSCGKSA-N 2 1 281.356 -0.058 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCCCCC[NH2+]CCO)C1 ZINC001178107657 820563554 /nfs/dbraw/zinc/56/35/54/820563554.db2.gz VDGMSNFBHCLQLT-ZDUSSCGKSA-N 2 1 287.404 -0.425 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCCCCC[NH2+]CCO)C1 ZINC001178107657 820563560 /nfs/dbraw/zinc/56/35/60/820563560.db2.gz VDGMSNFBHCLQLT-ZDUSSCGKSA-N 2 1 287.404 -0.425 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001178360911 820578954 /nfs/dbraw/zinc/57/89/54/820578954.db2.gz SKGZEGCRJAJVQJ-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)C[C@H]1COCCN1C(=O)CN1CC[NH+](C)CC1 ZINC001178950257 820607987 /nfs/dbraw/zinc/60/79/87/820607987.db2.gz PBIOOOWVAQHVQJ-ZDUSSCGKSA-N 2 1 284.404 -0.977 20 0 CBADMP C[NH+](C)C1(C)CN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC001178950538 820608043 /nfs/dbraw/zinc/60/80/43/820608043.db2.gz UMMJRRXBMAMZHW-UHFFFAOYSA-N 2 1 254.378 -0.604 20 0 CBADMP C[NH+]1CCN(CC(=O)Nc2cccnc2C[NH3+])CC1 ZINC001178953674 820610860 /nfs/dbraw/zinc/61/08/60/820610860.db2.gz MKJVZWWVGATWCO-UHFFFAOYSA-N 2 1 263.345 -0.274 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001179008747 820613596 /nfs/dbraw/zinc/61/35/96/820613596.db2.gz RBNSJCCMPWMOMM-RYUDHWBXSA-N 2 1 267.373 -0.083 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001179534381 820632237 /nfs/dbraw/zinc/63/22/37/820632237.db2.gz JWQBHCFAGGDWSF-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001179856687 820644160 /nfs/dbraw/zinc/64/41/60/820644160.db2.gz HHWGKLDHFHDIJR-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C ZINC001179852149 820644199 /nfs/dbraw/zinc/64/41/99/820644199.db2.gz AQCFIFAVAVDEKK-SRVKXCTJSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180138865 820652520 /nfs/dbraw/zinc/65/25/20/820652520.db2.gz PQGWZZVPOKAYAY-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180222507 820654870 /nfs/dbraw/zinc/65/48/70/820654870.db2.gz PIDPGKPXOXRUIG-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP C[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])N1CCCC1 ZINC001180583500 820695726 /nfs/dbraw/zinc/69/57/26/820695726.db2.gz CYQRQNUTBJZSHO-SNVBAGLBSA-N 2 1 255.366 -0.068 20 0 CBADMP C[N@@H+](CC(=O)N(CC[NH3+])S(C)(=O)=O)C1CCCC1 ZINC001180624372 820702187 /nfs/dbraw/zinc/70/21/87/820702187.db2.gz BGWJXCWLNLIPNV-UHFFFAOYSA-N 2 1 277.390 -0.392 20 0 CBADMP C[C@@H]1[C@H]2CC[N@H+]1C[C@@H](NC(=O)[C@H]1CN(C)CCO1)C2 ZINC001180763897 820724269 /nfs/dbraw/zinc/72/42/69/820724269.db2.gz OXEWKWYZOXAZEC-MROQNXINSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1[C@H]2CC[N@@H+]1C[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001180763897 820724273 /nfs/dbraw/zinc/72/42/73/820724273.db2.gz OXEWKWYZOXAZEC-MROQNXINSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1[C@H]2CC[N@H+]1C[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001180763897 820724277 /nfs/dbraw/zinc/72/42/77/820724277.db2.gz OXEWKWYZOXAZEC-MROQNXINSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1[C@H]2CC[NH+]1C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001180763897 820724283 /nfs/dbraw/zinc/72/42/83/820724283.db2.gz OXEWKWYZOXAZEC-MROQNXINSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1[C@H]2CC[NH+]1C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001180763897 820724289 /nfs/dbraw/zinc/72/42/89/820724289.db2.gz OXEWKWYZOXAZEC-MROQNXINSA-N 2 1 267.373 -0.084 20 0 CBADMP O=C(NCC[NH+]1CC2(COC2)C1)C12CC[NH+](CC1)CC2 ZINC001181551366 820796758 /nfs/dbraw/zinc/79/67/58/820796758.db2.gz AEMDEXPDKSKWRQ-UHFFFAOYSA-N 2 1 279.384 -0.079 20 0 CBADMP COCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181821746 820833857 /nfs/dbraw/zinc/83/38/57/820833857.db2.gz FJEXKOPUITYUQT-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP COCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181821746 820833876 /nfs/dbraw/zinc/83/38/76/820833876.db2.gz FJEXKOPUITYUQT-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181822843 820834366 /nfs/dbraw/zinc/83/43/66/820834366.db2.gz VCSKMFHTHDWCGU-VXGBXAGGSA-N 2 1 271.361 -0.846 20 0 CBADMP COCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181822843 820834372 /nfs/dbraw/zinc/83/43/72/820834372.db2.gz VCSKMFHTHDWCGU-VXGBXAGGSA-N 2 1 271.361 -0.846 20 0 CBADMP COCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181821745 820834529 /nfs/dbraw/zinc/83/45/29/820834529.db2.gz FJEXKOPUITYUQT-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP COCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181821745 820834546 /nfs/dbraw/zinc/83/45/46/820834546.db2.gz FJEXKOPUITYUQT-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP C[NH+]1CCC(O)(C(=O)N2CC[N@H+]3CC[C@H]3C2)CC1 ZINC001182032695 820855033 /nfs/dbraw/zinc/85/50/33/820855033.db2.gz ILOFRSQLIVLQGU-NSHDSACASA-N 2 1 253.346 -0.640 20 0 CBADMP [NH3+]CC1(NC(=O)[C@@H]2CCC[N@H+]2CC2CC2)COC1 ZINC001182559659 820927852 /nfs/dbraw/zinc/92/78/52/820927852.db2.gz VLTLFQGDSGDNKY-NSHDSACASA-N 2 1 253.346 -0.295 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001182559472 820928300 /nfs/dbraw/zinc/92/83/00/820928300.db2.gz NWUNCJJNKNGWTJ-LBPRGKRZSA-N 2 1 255.362 -0.441 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC)C2)CC[N@H+]1C ZINC001182693123 820937515 /nfs/dbraw/zinc/93/75/15/820937515.db2.gz SNGWXAYFFAHZQN-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001183228401 820982927 /nfs/dbraw/zinc/98/29/27/820982927.db2.gz HJYVNVHNYMJBFL-IUODEOHRSA-N 2 1 298.431 -0.112 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001183509471 820996847 /nfs/dbraw/zinc/99/68/47/820996847.db2.gz HXWBHSDLQHQRBX-IUODEOHRSA-N 2 1 298.431 -0.114 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001183647049 821012749 /nfs/dbraw/zinc/01/27/49/821012749.db2.gz BVBCKSRXKLGERM-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1C[N@H+](C)CCN1C ZINC001185262578 821116542 /nfs/dbraw/zinc/11/65/42/821116542.db2.gz OBIQGOJMFRSNSI-LLVKDONJSA-N 2 1 278.360 -0.984 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)n1ccc(C[NH3+])cc1=N ZINC001185264855 821120013 /nfs/dbraw/zinc/12/00/13/821120013.db2.gz ZZFCIXSUKNKNLF-LLVKDONJSA-N 2 1 263.345 -0.688 20 0 CBADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)c1nnnn1C ZINC001185408230 821128274 /nfs/dbraw/zinc/12/82/74/821128274.db2.gz OWRLJWDTGVAIKY-GHMZBOCLSA-N 2 1 295.391 -0.587 20 0 CBADMP CCn1ncc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001185407831 821129456 /nfs/dbraw/zinc/12/94/56/821129456.db2.gz FBSLOVIEKJOJOJ-GFCCVEGCSA-N 2 1 294.403 -0.060 20 0 CBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](O)C3)C[C@@H]21 ZINC001186044247 821155786 /nfs/dbraw/zinc/15/57/86/821155786.db2.gz DUDSLJNNMXDXEJ-UPJWGTAASA-N 2 1 267.373 -0.394 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](O)C3)C[C@@H]21 ZINC001186044247 821155795 /nfs/dbraw/zinc/15/57/95/821155795.db2.gz DUDSLJNNMXDXEJ-UPJWGTAASA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C[C@@H]21 ZINC001186044247 821155804 /nfs/dbraw/zinc/15/58/04/821155804.db2.gz DUDSLJNNMXDXEJ-UPJWGTAASA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C[C@@H]21 ZINC001186044247 821155810 /nfs/dbraw/zinc/15/58/10/821155810.db2.gz DUDSLJNNMXDXEJ-UPJWGTAASA-N 2 1 267.373 -0.394 20 0 CBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](O)C3)C[C@H]21 ZINC001186044244 821157062 /nfs/dbraw/zinc/15/70/62/821157062.db2.gz DUDSLJNNMXDXEJ-FRRDWIJNSA-N 2 1 267.373 -0.394 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](O)C3)C[C@H]21 ZINC001186044244 821157065 /nfs/dbraw/zinc/15/70/65/821157065.db2.gz DUDSLJNNMXDXEJ-FRRDWIJNSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C[C@H]21 ZINC001186044244 821157068 /nfs/dbraw/zinc/15/70/68/821157068.db2.gz DUDSLJNNMXDXEJ-FRRDWIJNSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](O)C3)C[C@H]21 ZINC001186044244 821157072 /nfs/dbraw/zinc/15/70/72/821157072.db2.gz DUDSLJNNMXDXEJ-FRRDWIJNSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+](C)CCCCCNC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186047660 821159955 /nfs/dbraw/zinc/15/99/55/821159955.db2.gz AYBJOWIOPUQFLG-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+](C)CCCCCNC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186047660 821159962 /nfs/dbraw/zinc/15/99/62/821159962.db2.gz AYBJOWIOPUQFLG-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001186046011 821160304 /nfs/dbraw/zinc/16/03/04/821160304.db2.gz YDQFVAXXYKVDMM-GFCCVEGCSA-N 2 1 269.389 -0.004 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001186046011 821160307 /nfs/dbraw/zinc/16/03/07/821160307.db2.gz YDQFVAXXYKVDMM-GFCCVEGCSA-N 2 1 269.389 -0.004 20 0 CBADMP O=C(C[N@H+]1CC[C@@H](O)C1)NCC12CC[NH+](CC1)CC2 ZINC001186054458 821163184 /nfs/dbraw/zinc/16/31/84/821163184.db2.gz DXCFTVODLLPZHP-GFCCVEGCSA-N 2 1 267.373 -0.345 20 0 CBADMP O=C(C[N@@H+]1CC[C@@H](O)C1)NCC12CC[NH+](CC1)CC2 ZINC001186054458 821163194 /nfs/dbraw/zinc/16/31/94/821163194.db2.gz DXCFTVODLLPZHP-GFCCVEGCSA-N 2 1 267.373 -0.345 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186056544 821165805 /nfs/dbraw/zinc/16/58/05/821165805.db2.gz FSCZICVMZICDCN-LLVKDONJSA-N 3 1 285.392 -0.883 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186056544 821165808 /nfs/dbraw/zinc/16/58/08/821165808.db2.gz FSCZICVMZICDCN-LLVKDONJSA-N 3 1 285.392 -0.883 20 0 CBADMP C[N@@H+]1CCC[C@@](C)(NC(=O)C[NH+]2CC[C@H](O)C2)C1 ZINC001186058938 821167175 /nfs/dbraw/zinc/16/71/75/821167175.db2.gz YGOPTPDKKBRFQH-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)C[NH+]2CC[C@H](O)C2)C1 ZINC001186058938 821167179 /nfs/dbraw/zinc/16/71/79/821167179.db2.gz YGOPTPDKKBRFQH-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@](C)(NC(=O)C[N@@H+]2CC[C@H](O)C2)C1 ZINC001186058938 821167183 /nfs/dbraw/zinc/16/71/83/821167183.db2.gz YGOPTPDKKBRFQH-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@](C)(NC(=O)C[N@H+]2CC[C@H](O)C2)C1 ZINC001186058938 821167186 /nfs/dbraw/zinc/16/71/86/821167186.db2.gz YGOPTPDKKBRFQH-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001186369648 821181103 /nfs/dbraw/zinc/18/11/03/821181103.db2.gz FWJDHGVJCLOZDE-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001186824804 821199558 /nfs/dbraw/zinc/19/95/58/821199558.db2.gz MLDXFJKQFHIGOP-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001187084069 821211648 /nfs/dbraw/zinc/21/16/48/821211648.db2.gz XGBBXHBTIBFWKK-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP COCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001279746300 828337139 /nfs/dbraw/zinc/33/71/39/828337139.db2.gz KNOMOKOZIQBDFG-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP COCC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001280658558 828370005 /nfs/dbraw/zinc/37/00/05/828370005.db2.gz DTEKJVSAAQLDPM-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001187322666 822267108 /nfs/dbraw/zinc/26/71/08/822267108.db2.gz RBFQWTWXCCDJTA-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001187322700 822267456 /nfs/dbraw/zinc/26/74/56/822267456.db2.gz SPXGDFAPJSFXHS-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001187825690 822297705 /nfs/dbraw/zinc/29/77/05/822297705.db2.gz RJFXPBNUOCFVNY-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187826352 822299230 /nfs/dbraw/zinc/29/92/30/822299230.db2.gz XZMPPCAULNNGMO-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CCO)CCOCC2)C1 ZINC001281280445 828412274 /nfs/dbraw/zinc/41/22/74/828412274.db2.gz QLPLAOPYZYGPBG-ZDUSSCGKSA-N 2 1 299.415 -0.425 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187843150 822300678 /nfs/dbraw/zinc/30/06/78/822300678.db2.gz VPIFEVWJODNIDK-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCOC)C2)C1 ZINC001187982159 822313091 /nfs/dbraw/zinc/31/30/91/822313091.db2.gz GNRRXFSSHQMTBI-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCOC)C2)C1 ZINC001187982159 822313098 /nfs/dbraw/zinc/31/30/98/822313098.db2.gz GNRRXFSSHQMTBI-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)CCOCCO ZINC001282363714 828442141 /nfs/dbraw/zinc/44/21/41/828442141.db2.gz DPBWXRLKPRHBCC-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)CCOCCO ZINC001282363714 828442149 /nfs/dbraw/zinc/44/21/49/828442149.db2.gz DPBWXRLKPRHBCC-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)CCOCCO ZINC001282363714 828442153 /nfs/dbraw/zinc/44/21/53/828442153.db2.gz DPBWXRLKPRHBCC-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001283065922 828493923 /nfs/dbraw/zinc/49/39/23/828493923.db2.gz HYSAFKYUHLTKRK-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001283065922 828493927 /nfs/dbraw/zinc/49/39/27/828493927.db2.gz HYSAFKYUHLTKRK-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001283065922 828493931 /nfs/dbraw/zinc/49/39/31/828493931.db2.gz HYSAFKYUHLTKRK-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001283189570 828505115 /nfs/dbraw/zinc/50/51/15/828505115.db2.gz AHJUFJBTYOCVPW-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]C(C)C ZINC001283781484 828547350 /nfs/dbraw/zinc/54/73/50/828547350.db2.gz DZNZXBHLOJWLEV-NSHDSACASA-N 2 1 254.334 -0.333 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)CC1 ZINC001188971599 823728397 /nfs/dbraw/zinc/72/83/97/823728397.db2.gz XROCROGFZZHOER-QWHCGFSZSA-N 2 1 281.400 -0.147 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390917 823752814 /nfs/dbraw/zinc/75/28/14/823752814.db2.gz UEZREQJVZFWIEX-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390917 823752818 /nfs/dbraw/zinc/75/28/18/823752818.db2.gz UEZREQJVZFWIEX-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189390917 823752820 /nfs/dbraw/zinc/75/28/20/823752820.db2.gz UEZREQJVZFWIEX-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189390917 823752825 /nfs/dbraw/zinc/75/28/25/823752825.db2.gz UEZREQJVZFWIEX-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP C[N@@H+](CCCO)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189401325 823753452 /nfs/dbraw/zinc/75/34/52/823753452.db2.gz VBRQEJXOXRVJBA-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCCO)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189401325 823753459 /nfs/dbraw/zinc/75/34/59/823753459.db2.gz VBRQEJXOXRVJBA-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCCO)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189401325 823753466 /nfs/dbraw/zinc/75/34/66/823753466.db2.gz VBRQEJXOXRVJBA-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390919 823754086 /nfs/dbraw/zinc/75/40/86/823754086.db2.gz UEZREQJVZFWIEX-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390919 823754092 /nfs/dbraw/zinc/75/40/92/823754092.db2.gz UEZREQJVZFWIEX-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189390919 823754099 /nfs/dbraw/zinc/75/40/99/823754099.db2.gz UEZREQJVZFWIEX-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189390919 823754104 /nfs/dbraw/zinc/75/41/04/823754104.db2.gz UEZREQJVZFWIEX-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP COCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517247 823764468 /nfs/dbraw/zinc/76/44/68/823764468.db2.gz OTNCRIXYOKGMPD-STQMWFEESA-N 2 1 285.388 -0.504 20 0 CBADMP COCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517247 823764473 /nfs/dbraw/zinc/76/44/73/823764473.db2.gz OTNCRIXYOKGMPD-STQMWFEESA-N 2 1 285.388 -0.504 20 0 CBADMP COCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189517247 823764477 /nfs/dbraw/zinc/76/44/77/823764477.db2.gz OTNCRIXYOKGMPD-STQMWFEESA-N 2 1 285.388 -0.504 20 0 CBADMP COCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189517247 823764481 /nfs/dbraw/zinc/76/44/81/823764481.db2.gz OTNCRIXYOKGMPD-STQMWFEESA-N 2 1 285.388 -0.504 20 0 CBADMP COCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189516574 823764841 /nfs/dbraw/zinc/76/48/41/823764841.db2.gz IOWXXJGUWKGNBH-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189516574 823764845 /nfs/dbraw/zinc/76/48/45/823764845.db2.gz IOWXXJGUWKGNBH-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189516574 823764848 /nfs/dbraw/zinc/76/48/48/823764848.db2.gz IOWXXJGUWKGNBH-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189516574 823764852 /nfs/dbraw/zinc/76/48/52/823764852.db2.gz IOWXXJGUWKGNBH-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189517490 823765085 /nfs/dbraw/zinc/76/50/85/823765085.db2.gz SIZITOSMRASYPR-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP C[N@H+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517490 823765054 /nfs/dbraw/zinc/76/50/54/823765054.db2.gz SIZITOSMRASYPR-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517490 823765064 /nfs/dbraw/zinc/76/50/64/823765064.db2.gz SIZITOSMRASYPR-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189517490 823765077 /nfs/dbraw/zinc/76/50/77/823765077.db2.gz SIZITOSMRASYPR-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238028 823807703 /nfs/dbraw/zinc/80/77/03/823807703.db2.gz HZVJQGBPXYJMDE-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238028 823807709 /nfs/dbraw/zinc/80/77/09/823807709.db2.gz HZVJQGBPXYJMDE-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190238028 823807718 /nfs/dbraw/zinc/80/77/18/823807718.db2.gz HZVJQGBPXYJMDE-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190238028 823807721 /nfs/dbraw/zinc/80/77/21/823807721.db2.gz HZVJQGBPXYJMDE-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001190371407 823812483 /nfs/dbraw/zinc/81/24/83/823812483.db2.gz UKSSXADXHJPOMY-QWHCGFSZSA-N 2 1 269.389 -0.148 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001190371407 823812490 /nfs/dbraw/zinc/81/24/90/823812490.db2.gz UKSSXADXHJPOMY-QWHCGFSZSA-N 2 1 269.389 -0.148 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001190371407 823812502 /nfs/dbraw/zinc/81/25/02/823812502.db2.gz UKSSXADXHJPOMY-QWHCGFSZSA-N 2 1 269.389 -0.148 20 0 CBADMP COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191728471 823918667 /nfs/dbraw/zinc/91/86/67/823918667.db2.gz ZLGGOPJJKIVEHO-BFHYXJOUSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@H](O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191728471 823918673 /nfs/dbraw/zinc/91/86/73/823918673.db2.gz ZLGGOPJJKIVEHO-BFHYXJOUSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@H](O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191728471 823918676 /nfs/dbraw/zinc/91/86/76/823918676.db2.gz ZLGGOPJJKIVEHO-BFHYXJOUSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192029247 823941020 /nfs/dbraw/zinc/94/10/20/823941020.db2.gz IZVVEBFMLUOFFH-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045308 823943243 /nfs/dbraw/zinc/94/32/43/823943243.db2.gz CATPIJYSUKQHCK-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001192038871 823944131 /nfs/dbraw/zinc/94/41/31/823944131.db2.gz TXJOJLABAFQZOL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001192169885 823952817 /nfs/dbraw/zinc/95/28/17/823952817.db2.gz FDZLKOIMUYMHTB-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170781 823955988 /nfs/dbraw/zinc/95/59/88/823955988.db2.gz QPUGSAXSNYMRRV-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192172159 823955694 /nfs/dbraw/zinc/95/56/94/823955694.db2.gz ZQWXMYDOERPPOT-VXGBXAGGSA-N 2 1 257.378 -0.148 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC(=O)N(C)C)C1)[NH+](C)C ZINC001192385027 823963330 /nfs/dbraw/zinc/96/33/30/823963330.db2.gz CJGJVUVJRPNOMF-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N(C)C)C1)[NH+](C)C ZINC001192385027 823963334 /nfs/dbraw/zinc/96/33/34/823963334.db2.gz CJGJVUVJRPNOMF-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+]CCCF ZINC001284467479 828599786 /nfs/dbraw/zinc/59/97/86/828599786.db2.gz JENLHMJIYXYFMY-GFCCVEGCSA-N 2 1 286.351 -0.040 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570725 824035217 /nfs/dbraw/zinc/03/52/17/824035217.db2.gz LBPDLNPDGSYVRH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570725 824035219 /nfs/dbraw/zinc/03/52/19/824035219.db2.gz LBPDLNPDGSYVRH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001193600935 824037439 /nfs/dbraw/zinc/03/74/39/824037439.db2.gz OVOQJJHPSDEJJS-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001193600935 824037423 /nfs/dbraw/zinc/03/74/23/824037423.db2.gz OVOQJJHPSDEJJS-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001193600935 824037432 /nfs/dbraw/zinc/03/74/32/824037432.db2.gz OVOQJJHPSDEJJS-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001193600935 824037443 /nfs/dbraw/zinc/03/74/43/824037443.db2.gz OVOQJJHPSDEJJS-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC(=O)NC)C1 ZINC001193600498 824037703 /nfs/dbraw/zinc/03/77/03/824037703.db2.gz DZVJBJTUBWYACV-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC(=O)NC)C1 ZINC001193600498 824037707 /nfs/dbraw/zinc/03/77/07/824037707.db2.gz DZVJBJTUBWYACV-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC)C1 ZINC001193600498 824037710 /nfs/dbraw/zinc/03/77/10/824037710.db2.gz DZVJBJTUBWYACV-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC)C1 ZINC001193600498 824037712 /nfs/dbraw/zinc/03/77/12/824037712.db2.gz DZVJBJTUBWYACV-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001193640856 824041643 /nfs/dbraw/zinc/04/16/43/824041643.db2.gz FSLKDOIYXUNQKW-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC001193630774 824042393 /nfs/dbraw/zinc/04/23/93/824042393.db2.gz NOHQGOILUFNESW-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC001193630774 824042394 /nfs/dbraw/zinc/04/23/94/824042394.db2.gz NOHQGOILUFNESW-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001193630774 824042400 /nfs/dbraw/zinc/04/24/00/824042400.db2.gz NOHQGOILUFNESW-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001193630774 824042404 /nfs/dbraw/zinc/04/24/04/824042404.db2.gz NOHQGOILUFNESW-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765604 824045346 /nfs/dbraw/zinc/04/53/46/824045346.db2.gz DMLQGVBEMMXEQH-JHJVBQTASA-N 2 1 299.415 -0.333 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193792120 824046809 /nfs/dbraw/zinc/04/68/09/824046809.db2.gz XXCXJBFDNSVUDB-JHJVBQTASA-N 2 1 269.389 -0.104 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193804953 824046945 /nfs/dbraw/zinc/04/69/45/824046945.db2.gz GUDIHVCHBGQSRH-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193804953 824046949 /nfs/dbraw/zinc/04/69/49/824046949.db2.gz GUDIHVCHBGQSRH-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193804953 824046955 /nfs/dbraw/zinc/04/69/55/824046955.db2.gz GUDIHVCHBGQSRH-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193828105 824047856 /nfs/dbraw/zinc/04/78/56/824047856.db2.gz KWRBWOVMRMTUAL-IACUBPJLSA-N 2 1 299.415 -0.333 20 0 CBADMP COC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193828105 824047860 /nfs/dbraw/zinc/04/78/60/824047860.db2.gz KWRBWOVMRMTUAL-IACUBPJLSA-N 2 1 299.415 -0.333 20 0 CBADMP COC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193828105 824047866 /nfs/dbraw/zinc/04/78/66/824047866.db2.gz KWRBWOVMRMTUAL-IACUBPJLSA-N 2 1 299.415 -0.333 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039199 824055895 /nfs/dbraw/zinc/05/58/95/824055895.db2.gz LJXQLUOZTPYNNN-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229087 824065443 /nfs/dbraw/zinc/06/54/43/824065443.db2.gz UTQRXDOXFJIJQN-CYBMUJFWSA-N 2 1 296.415 -0.120 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229087 824065450 /nfs/dbraw/zinc/06/54/50/824065450.db2.gz UTQRXDOXFJIJQN-CYBMUJFWSA-N 2 1 296.415 -0.120 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@@H]2CCNC2=O)C1 ZINC001194283482 824068248 /nfs/dbraw/zinc/06/82/48/824068248.db2.gz CBCIAMLWGNBDSZ-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001194283482 824068252 /nfs/dbraw/zinc/06/82/52/824068252.db2.gz CBCIAMLWGNBDSZ-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001194283482 824068257 /nfs/dbraw/zinc/06/82/57/824068257.db2.gz CBCIAMLWGNBDSZ-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCOCCO)CC1 ZINC001195268910 824107841 /nfs/dbraw/zinc/10/78/41/824107841.db2.gz VSTFCJWRSDDTOT-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCOCCO)CC1 ZINC001195268910 824107848 /nfs/dbraw/zinc/10/78/48/824107848.db2.gz VSTFCJWRSDDTOT-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCOCCO)CC1 ZINC001195268910 824107854 /nfs/dbraw/zinc/10/78/54/824107854.db2.gz VSTFCJWRSDDTOT-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCOCCO)CC1 ZINC001195268910 824107858 /nfs/dbraw/zinc/10/78/58/824107858.db2.gz VSTFCJWRSDDTOT-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP CNC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC001195307550 824110662 /nfs/dbraw/zinc/11/06/62/824110662.db2.gz SEPKILABHXDXHY-PWSUYJOCSA-N 2 1 255.362 -0.491 20 0 CBADMP CNC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC001195307550 824110664 /nfs/dbraw/zinc/11/06/64/824110664.db2.gz SEPKILABHXDXHY-PWSUYJOCSA-N 2 1 255.362 -0.491 20 0 CBADMP CNC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC001195307550 824110671 /nfs/dbraw/zinc/11/06/71/824110671.db2.gz SEPKILABHXDXHY-PWSUYJOCSA-N 2 1 255.362 -0.491 20 0 CBADMP CNC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC001195307550 824110674 /nfs/dbraw/zinc/11/06/74/824110674.db2.gz SEPKILABHXDXHY-PWSUYJOCSA-N 2 1 255.362 -0.491 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001195707963 824128288 /nfs/dbraw/zinc/12/82/88/824128288.db2.gz BSUBFOAENMEGTR-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001196169353 824150808 /nfs/dbraw/zinc/15/08/08/824150808.db2.gz RGIKMIJJIOCBSZ-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001196169353 824150809 /nfs/dbraw/zinc/15/08/09/824150809.db2.gz RGIKMIJJIOCBSZ-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001196169353 824150812 /nfs/dbraw/zinc/15/08/12/824150812.db2.gz RGIKMIJJIOCBSZ-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001196169353 824150813 /nfs/dbraw/zinc/15/08/13/824150813.db2.gz RGIKMIJJIOCBSZ-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O)[NH+](C)C ZINC001196267595 824155704 /nfs/dbraw/zinc/15/57/04/824155704.db2.gz DJRAFIHBRAWUSO-GRYCIOLGSA-N 2 1 275.368 -0.153 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196953699 824173291 /nfs/dbraw/zinc/17/32/91/824173291.db2.gz HQGRHAFQKYEXII-CHWSQXEVSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953699 824173293 /nfs/dbraw/zinc/17/32/93/824173293.db2.gz HQGRHAFQKYEXII-CHWSQXEVSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001197058075 824176465 /nfs/dbraw/zinc/17/64/65/824176465.db2.gz NALCYTQPTGYDDI-VXGBXAGGSA-N 2 1 275.368 -0.151 20 0 CBADMP CN1CC[C@H]([N@@H+]2CCCN(C(=O)CC[NH+](C)C)CC2)C1=O ZINC001197049455 824177477 /nfs/dbraw/zinc/17/74/77/824177477.db2.gz QVHNTWKXCZPKBT-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP CN1CC[C@H]([N@H+]2CCCN(C(=O)CC[NH+](C)C)CC2)C1=O ZINC001197049455 824177480 /nfs/dbraw/zinc/17/74/80/824177480.db2.gz QVHNTWKXCZPKBT-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@H]1O ZINC001197493432 824194548 /nfs/dbraw/zinc/19/45/48/824194548.db2.gz MTPHTQVAMFLGMG-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001197493432 824194551 /nfs/dbraw/zinc/19/45/51/824194551.db2.gz MTPHTQVAMFLGMG-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001197493432 824194555 /nfs/dbraw/zinc/19/45/55/824194555.db2.gz MTPHTQVAMFLGMG-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001197784622 824202231 /nfs/dbraw/zinc/20/22/31/824202231.db2.gz ZFZUTIWACCAKEV-VXGBXAGGSA-N 2 1 291.367 -0.915 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001197825209 824203759 /nfs/dbraw/zinc/20/37/59/824203759.db2.gz BDVSIUAZPWBTOV-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](O)C[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832005 824204385 /nfs/dbraw/zinc/20/43/85/824204385.db2.gz GTTZPUZIUCMDRB-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCCN(CC(=O)NC)CC1 ZINC001197907361 824209165 /nfs/dbraw/zinc/20/91/65/824209165.db2.gz CLNOXYLWHCRDQX-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCCN(CC(=O)N(C)C)CC1 ZINC001197913868 824209615 /nfs/dbraw/zinc/20/96/15/824209615.db2.gz HCXJSTLHUWSANV-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CC2)C[C@H]1O ZINC001198020214 824213878 /nfs/dbraw/zinc/21/38/78/824213878.db2.gz IRSJCFBXORXALT-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001198020214 824213882 /nfs/dbraw/zinc/21/38/82/824213882.db2.gz IRSJCFBXORXALT-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001198020214 824213888 /nfs/dbraw/zinc/21/38/88/824213888.db2.gz IRSJCFBXORXALT-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@H]1O ZINC001198048709 824217599 /nfs/dbraw/zinc/21/75/99/824217599.db2.gz YYJRBMNCIMLDCB-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001198048709 824217605 /nfs/dbraw/zinc/21/76/05/824217605.db2.gz YYJRBMNCIMLDCB-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001198048709 824217613 /nfs/dbraw/zinc/21/76/13/824217613.db2.gz YYJRBMNCIMLDCB-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198097400 824218910 /nfs/dbraw/zinc/21/89/10/824218910.db2.gz ACDNCQCWLOTEJV-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001198097400 824218917 /nfs/dbraw/zinc/21/89/17/824218917.db2.gz ACDNCQCWLOTEJV-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001198097400 824218926 /nfs/dbraw/zinc/21/89/26/824218926.db2.gz ACDNCQCWLOTEJV-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198661484 824236149 /nfs/dbraw/zinc/23/61/49/824236149.db2.gz GGJHHGWKHGZFAO-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198661484 824236151 /nfs/dbraw/zinc/23/61/51/824236151.db2.gz GGJHHGWKHGZFAO-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198661484 824236157 /nfs/dbraw/zinc/23/61/57/824236157.db2.gz GGJHHGWKHGZFAO-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199787737 824287763 /nfs/dbraw/zinc/28/77/63/824287763.db2.gz DAGJCOSOJGTXRQ-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199788751 824289331 /nfs/dbraw/zinc/28/93/31/824289331.db2.gz YZSSBQPCNQZIQV-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284960562 828636421 /nfs/dbraw/zinc/63/64/21/828636421.db2.gz VPEYSYHTPQXCCJ-LBPRGKRZSA-N 2 1 296.415 -0.179 20 0 CBADMP O=C(CCc1cnc[nH]1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200652867 824323909 /nfs/dbraw/zinc/32/39/09/824323909.db2.gz ARUHHCJOTGVTQS-ZDUSSCGKSA-N 2 1 296.371 -0.458 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284960562 828636425 /nfs/dbraw/zinc/63/64/25/828636425.db2.gz VPEYSYHTPQXCCJ-LBPRGKRZSA-N 2 1 296.415 -0.179 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001201862910 824337336 /nfs/dbraw/zinc/33/73/36/824337336.db2.gz ICJOHSKZKMYREQ-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001202056668 824340451 /nfs/dbraw/zinc/34/04/51/824340451.db2.gz ARWRACBIIMJUOE-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001202070247 824341548 /nfs/dbraw/zinc/34/15/48/824341548.db2.gz SFJZNQNINJPWOF-ZDUSSCGKSA-N 2 1 296.371 -0.609 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1=CC[N@H+](CCO)CC1 ZINC001284986495 828638584 /nfs/dbraw/zinc/63/85/84/828638584.db2.gz PZFFTCNCYOCGAP-UHFFFAOYSA-N 2 1 278.356 -0.068 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001284986495 828638591 /nfs/dbraw/zinc/63/85/91/828638591.db2.gz PZFFTCNCYOCGAP-UHFFFAOYSA-N 2 1 278.356 -0.068 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CCC([NH2+]CCCO)CC1 ZINC001202954868 824356031 /nfs/dbraw/zinc/35/60/31/824356031.db2.gz VGOWJGRJQRBVFY-UHFFFAOYSA-N 2 1 299.415 -0.328 20 0 CBADMP CNC(=O)C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203337995 824361684 /nfs/dbraw/zinc/36/16/84/824361684.db2.gz ZNSLZDYNGCRARM-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCCO)CC2)C1 ZINC001203814849 824362973 /nfs/dbraw/zinc/36/29/73/824362973.db2.gz IZKMSAUYHVDZST-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCCO)CC2)C1 ZINC001203814849 824362977 /nfs/dbraw/zinc/36/29/77/824362977.db2.gz IZKMSAUYHVDZST-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CCCO)CC2)C1 ZINC001204875684 824371930 /nfs/dbraw/zinc/37/19/30/824371930.db2.gz AMFDEPUGRFECSO-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CCCO)CC2)C1 ZINC001204875684 824371936 /nfs/dbraw/zinc/37/19/36/824371936.db2.gz AMFDEPUGRFECSO-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP CC1(C)NC[C@@H](C[N@H+]2CCC[C@](O)(C[NH3+])CC2)O1 ZINC001205209782 824375237 /nfs/dbraw/zinc/37/52/37/824375237.db2.gz LECJQIVPYKVYER-WCQYABFASA-N 2 1 257.378 -0.113 20 0 CBADMP CC1(C)[NH2+]C[C@@H](CN2CCC[C@](O)(C[NH3+])CC2)O1 ZINC001205209782 824375243 /nfs/dbraw/zinc/37/52/43/824375243.db2.gz LECJQIVPYKVYER-WCQYABFASA-N 2 1 257.378 -0.113 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@@H+](CC2C(=O)N=CNC2=O)CC1 ZINC001205230702 824376537 /nfs/dbraw/zinc/37/65/37/824376537.db2.gz UEEJWSXARNDIEI-LBPRGKRZSA-N 2 1 268.317 -0.437 20 0 CBADMP Nc1cnc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cn1 ZINC001205247165 824376948 /nfs/dbraw/zinc/37/69/48/824376948.db2.gz CCASATIZZHVWHL-LBPRGKRZSA-N 2 1 251.334 -0.266 20 0 CBADMP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205945678 824390791 /nfs/dbraw/zinc/39/07/91/824390791.db2.gz BQWUTGXRYPEXEE-CUOATXAZSA-N 2 1 293.367 -0.501 20 0 CBADMP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205945678 824390796 /nfs/dbraw/zinc/39/07/96/824390796.db2.gz BQWUTGXRYPEXEE-CUOATXAZSA-N 2 1 293.367 -0.501 20 0 CBADMP C[C@H]1CNCC(F)(F)[C@H]1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946056 824390861 /nfs/dbraw/zinc/39/08/61/824390861.db2.gz HUFOBWRHLKVROA-UKKRHICBSA-N 2 1 263.332 -0.129 20 0 CBADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1CN1CC[C@@H](O)[C@H]([NH3+])C1 ZINC001206082107 824392926 /nfs/dbraw/zinc/39/29/26/824392926.db2.gz SVISCHTWQSYWDG-UKKRHICBSA-N 2 1 263.332 -0.129 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(=O)n(C)c1=O ZINC001206184102 824394252 /nfs/dbraw/zinc/39/42/52/824394252.db2.gz HPRSFUPEACKBAL-GHMZBOCLSA-N 2 1 284.335 -0.655 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206281078 824396548 /nfs/dbraw/zinc/39/65/48/824396548.db2.gz AFRLOGKZNGZZCO-AAEUAGOBSA-N 2 1 296.415 -0.502 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(N3CC[NH2+]CC3)c2)C[C@H]1O ZINC001206469516 824400751 /nfs/dbraw/zinc/40/07/51/824400751.db2.gz QSYONGFMOSXXPB-GOEBONIOSA-N 3 1 290.411 -0.152 20 0 CBADMP [NH3+]C[C@H]1CN(Cc2cccc(N3CC[NH2+]CC3)c2)C[C@H]1O ZINC001206469516 824400753 /nfs/dbraw/zinc/40/07/53/824400753.db2.gz QSYONGFMOSXXPB-GOEBONIOSA-N 2 1 290.411 -0.152 20 0 CBADMP NC(=O)COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206518632 824401389 /nfs/dbraw/zinc/40/13/89/824401389.db2.gz AYMXNJGMXBBPJW-AAEUAGOBSA-N 2 1 279.340 -0.698 20 0 CBADMP NC(=O)COc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206518632 824401393 /nfs/dbraw/zinc/40/13/93/824401393.db2.gz AYMXNJGMXBBPJW-AAEUAGOBSA-N 2 1 279.340 -0.698 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(N3CC[NH2+]CC3)c2)C[C@@H]1O ZINC001206525464 824401688 /nfs/dbraw/zinc/40/16/88/824401688.db2.gz QSYONGFMOSXXPB-HOCLYGCPSA-N 3 1 290.411 -0.152 20 0 CBADMP [NH3+]C[C@H]1CN(Cc2cccc(N3CC[NH2+]CC3)c2)C[C@@H]1O ZINC001206525464 824401691 /nfs/dbraw/zinc/40/16/91/824401691.db2.gz QSYONGFMOSXXPB-HOCLYGCPSA-N 2 1 290.411 -0.152 20 0 CBADMP O=C1COC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN12 ZINC001207439648 824427568 /nfs/dbraw/zinc/42/75/68/824427568.db2.gz XAUOPOIJAZWWFJ-LBPRGKRZSA-N 2 1 253.346 -0.471 20 0 CBADMP C[NH+]1CCC(CC[N@H+]2CCO[C@@H](C(N)=O)C2)CC1 ZINC001207486286 824428966 /nfs/dbraw/zinc/42/89/66/824428966.db2.gz FVISDDUKWBCHAF-GFCCVEGCSA-N 2 1 255.362 -0.096 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207688010 824433807 /nfs/dbraw/zinc/43/38/07/824433807.db2.gz KYECMCRLBMCKKT-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C)[NH+](C)C ZINC001207698111 824435128 /nfs/dbraw/zinc/43/51/28/824435128.db2.gz SOHRDBLFNKCXEV-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C)[NH+](C)C ZINC001207698111 824435131 /nfs/dbraw/zinc/43/51/31/824435131.db2.gz SOHRDBLFNKCXEV-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NC)C[C@H]1C ZINC001207757848 824437748 /nfs/dbraw/zinc/43/77/48/824437748.db2.gz OCTOKOOJZQHCPE-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NC)C[C@H]1C ZINC001207757848 824437752 /nfs/dbraw/zinc/43/77/52/824437752.db2.gz OCTOKOOJZQHCPE-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C ZINC001207757848 824437754 /nfs/dbraw/zinc/43/77/54/824437754.db2.gz OCTOKOOJZQHCPE-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C ZINC001207757848 824437757 /nfs/dbraw/zinc/43/77/57/824437757.db2.gz OCTOKOOJZQHCPE-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001208423429 824451998 /nfs/dbraw/zinc/45/19/98/824451998.db2.gz KCVBPWNELJYJMF-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208444491 824453349 /nfs/dbraw/zinc/45/33/49/824453349.db2.gz DBJHGOVVEYRTIP-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208444491 824453355 /nfs/dbraw/zinc/45/33/55/824453355.db2.gz DBJHGOVVEYRTIP-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208494351 824454635 /nfs/dbraw/zinc/45/46/35/824454635.db2.gz QSNMFBNJQAIGMH-IJLUTSLNSA-N 2 1 257.378 -0.245 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496386 824455430 /nfs/dbraw/zinc/45/54/30/824455430.db2.gz RIXIZLGHTVICOJ-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C)[NH+](C)C ZINC001208699767 824456170 /nfs/dbraw/zinc/45/61/70/824456170.db2.gz SOHRDBLFNKCXEV-UPJWGTAASA-N 2 1 298.431 -0.149 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C)[NH+](C)C ZINC001208699767 824456172 /nfs/dbraw/zinc/45/61/72/824456172.db2.gz SOHRDBLFNKCXEV-UPJWGTAASA-N 2 1 298.431 -0.149 20 0 CBADMP COC(=O)[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001208724010 824457918 /nfs/dbraw/zinc/45/79/18/824457918.db2.gz BIHDOVOHLMGJAA-VXGBXAGGSA-N 2 1 285.388 -0.062 20 0 CBADMP COC(=O)[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001208724010 824457923 /nfs/dbraw/zinc/45/79/23/824457923.db2.gz BIHDOVOHLMGJAA-VXGBXAGGSA-N 2 1 285.388 -0.062 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209418479 824471364 /nfs/dbraw/zinc/47/13/64/824471364.db2.gz DIEIWYCCXHZNBK-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP Nc1ncnc2nn(-c3cc[nH+]c(N4CC[NH2+]CC4)c3)cc21 ZINC001210261996 824478382 /nfs/dbraw/zinc/47/83/82/824478382.db2.gz MNJKQFBANKWTQT-UHFFFAOYSA-N 2 1 296.338 -0.016 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346198 824511209 /nfs/dbraw/zinc/51/12/09/824511209.db2.gz BDTQYQLSWRRVGH-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001213598214 824513629 /nfs/dbraw/zinc/51/36/29/824513629.db2.gz COLQGEMUDHCHRB-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214335648 824528047 /nfs/dbraw/zinc/52/80/47/824528047.db2.gz FGOYQPNFTCZKKR-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214344206 824529991 /nfs/dbraw/zinc/52/99/91/824529991.db2.gz OGHGZCJKDAMNFV-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCCO ZINC001214389142 824530500 /nfs/dbraw/zinc/53/05/00/824530500.db2.gz QJDAJZOEJVDVRA-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCCO ZINC001214389142 824530503 /nfs/dbraw/zinc/53/05/03/824530503.db2.gz QJDAJZOEJVDVRA-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCOCCO ZINC001216749995 824549426 /nfs/dbraw/zinc/54/94/26/824549426.db2.gz KQVKBBVXMDDLNR-HZSPNIEDSA-N 2 1 299.415 -0.617 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001216851643 824550948 /nfs/dbraw/zinc/55/09/48/824550948.db2.gz DKRZZWINOWWERK-IJLUTSLNSA-N 2 1 284.404 -0.363 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001216851661 824551133 /nfs/dbraw/zinc/55/11/33/824551133.db2.gz FOCLYFCDLLBQPX-FRRDWIJNSA-N 2 1 296.415 -0.348 20 0 CBADMP C[C@@H]1C[NH+](CCc2nnc(CNCC[NH3+])o2)C[C@@H](C)O1 ZINC001217729298 824561098 /nfs/dbraw/zinc/56/10/98/824561098.db2.gz HTHCOFLSIHWTTO-GHMZBOCLSA-N 2 1 283.376 -0.230 20 0 CBADMP C(O[C@@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217802529 824561927 /nfs/dbraw/zinc/56/19/27/824561927.db2.gz AGDMENBZIJFBER-KHMAMNHCSA-N 2 1 281.400 -0.184 20 0 CBADMP C(O[C@@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217802529 824561935 /nfs/dbraw/zinc/56/19/35/824561935.db2.gz AGDMENBZIJFBER-KHMAMNHCSA-N 2 1 281.400 -0.184 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)CC1 ZINC001218550800 824588206 /nfs/dbraw/zinc/58/82/06/824588206.db2.gz OOYMRMVEJFMIQW-QWHCGFSZSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)CC1 ZINC001218550800 824588213 /nfs/dbraw/zinc/58/82/13/824588213.db2.gz OOYMRMVEJFMIQW-QWHCGFSZSA-N 2 1 297.399 -0.768 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640164 824612936 /nfs/dbraw/zinc/61/29/36/824612936.db2.gz KFAIHEJSJZRVJU-NSHDSACASA-N 2 1 275.316 -0.741 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640325 824612957 /nfs/dbraw/zinc/61/29/57/824612957.db2.gz IEFGHOZPHWYMET-JTQLQIEISA-N 2 1 281.316 -0.754 20 0 CBADMP Cc1nc2nc[nH]c2c(NC(=O)[C@H]([NH3+])CCC[NH3+])n1 ZINC001218699323 824623929 /nfs/dbraw/zinc/62/39/29/824623929.db2.gz HRRIKROHHILNDG-SSDOTTSWSA-N 2 1 263.305 -0.334 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218709699 824626017 /nfs/dbraw/zinc/62/60/17/824626017.db2.gz BNEGNFVZJYLYCT-DTWKUNHWSA-N 2 1 282.300 -0.072 20 0 CBADMP [NH3+]CCC[NH2+]CC(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218711587 824627795 /nfs/dbraw/zinc/62/77/95/824627795.db2.gz LEECJKHVUORDFW-SECBINFHSA-N 3 1 267.333 -0.024 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21 ZINC001218905321 824645530 /nfs/dbraw/zinc/64/55/30/824645530.db2.gz RDSYWTYQFJDHMW-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001218905321 824645538 /nfs/dbraw/zinc/64/55/38/824645538.db2.gz RDSYWTYQFJDHMW-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001218905321 824645542 /nfs/dbraw/zinc/64/55/42/824645542.db2.gz RDSYWTYQFJDHMW-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@H](C)O)C[C@@H]21 ZINC001218918940 824646686 /nfs/dbraw/zinc/64/66/86/824646686.db2.gz KNTJAOZXUKPPDO-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]21 ZINC001218918940 824646692 /nfs/dbraw/zinc/64/66/92/824646692.db2.gz KNTJAOZXUKPPDO-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]21 ZINC001218918940 824646697 /nfs/dbraw/zinc/64/66/97/824646697.db2.gz KNTJAOZXUKPPDO-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1COC[NH2+]1 ZINC001219117013 824664374 /nfs/dbraw/zinc/66/43/74/824664374.db2.gz VPKDUFUMCJKXEZ-ZDUSSCGKSA-N 2 1 276.340 -0.019 20 0 CBADMP COC(=O)c1ccc(N)c(NC(=O)C[NH2+]CCC[NH3+])c1 ZINC001219146746 824669589 /nfs/dbraw/zinc/66/95/89/824669589.db2.gz IEKRFSUWRSKETG-UHFFFAOYSA-N 2 1 280.328 -0.068 20 0 CBADMP CC[NH+](CC)CCNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001219555594 824728189 /nfs/dbraw/zinc/72/81/89/824728189.db2.gz HTJWSCJHAVBJER-ZDUSSCGKSA-N 2 1 285.436 -0.805 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2c[nH]cn2)C[NH2+]1 ZINC001219579651 824734116 /nfs/dbraw/zinc/73/41/16/824734116.db2.gz CGFOEJUQSLQBAH-ATZCPNFKSA-N 2 1 251.334 -0.464 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCN2C)C[NH2+]1 ZINC001219586844 824735975 /nfs/dbraw/zinc/73/59/75/824735975.db2.gz GSTIGURDDSJGNS-SRVKXCTJSA-N 2 1 254.378 -0.511 20 0 CBADMP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001219595809 824739110 /nfs/dbraw/zinc/73/91/10/824739110.db2.gz QZZCCANLMJECSO-GFCCVEGCSA-N 2 1 297.380 -0.552 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219608090 824852127 /nfs/dbraw/zinc/85/21/27/824852127.db2.gz OOMGWLOMNBQYDF-WCBMZHEXSA-N 2 1 291.277 -0.310 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610614 824854393 /nfs/dbraw/zinc/85/43/93/824854393.db2.gz POBQJEYHPNUSHS-XPUUQOCRSA-N 3 1 254.256 -0.927 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219609908 824855120 /nfs/dbraw/zinc/85/51/20/824855120.db2.gz HUKYUOULZHTUBI-NSHDSACASA-N 3 1 294.321 -0.261 20 0 CBADMP [NH3+][C@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1cccnc1 ZINC001219616389 824855983 /nfs/dbraw/zinc/85/59/83/824855983.db2.gz ZQRQIWIDAGBHOT-GMXVVIOVSA-N 2 1 282.319 -0.740 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219620299 824862232 /nfs/dbraw/zinc/86/22/32/824862232.db2.gz ZJPJPZXUBGGSGY-MBNYWOFBSA-N 2 1 287.379 -0.105 20 0 CBADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1coc2c1C[NH2+]C2 ZINC001219628143 824865660 /nfs/dbraw/zinc/86/56/60/824865660.db2.gz RITBEMXAVDIOEB-WCQYABFASA-N 2 1 283.303 -0.325 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219641082 824869635 /nfs/dbraw/zinc/86/96/35/824869635.db2.gz DZYQRQKHFFTEJD-VWYCJHECSA-N 2 1 271.361 -0.371 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)CCN2CC[NH+](C)CC2)C1 ZINC001219641606 824869750 /nfs/dbraw/zinc/86/97/50/824869750.db2.gz JIIRFYUZFORWTB-UONOGXRCSA-N 2 1 282.432 -0.014 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219641080 824870466 /nfs/dbraw/zinc/87/04/66/824870466.db2.gz DZYQRQKHFFTEJD-DCAQKATOSA-N 2 1 271.361 -0.371 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2cc3n(n2)CC[NH2+]C3)C1 ZINC001219662026 824874346 /nfs/dbraw/zinc/87/43/46/824874346.db2.gz IRHAISLKSZQBPA-WDEREUQCSA-N 2 1 277.372 -0.038 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219658330 824874561 /nfs/dbraw/zinc/87/45/61/824874561.db2.gz JOUGSGDOCDYJBD-SYQHCUMBSA-N 2 1 299.415 -0.476 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219658330 824874565 /nfs/dbraw/zinc/87/45/65/824874565.db2.gz JOUGSGDOCDYJBD-SYQHCUMBSA-N 2 1 299.415 -0.476 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219658330 824874573 /nfs/dbraw/zinc/87/45/73/824874573.db2.gz JOUGSGDOCDYJBD-SYQHCUMBSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2cnn3c2C[NH2+]CC3)C1 ZINC001219662621 824874660 /nfs/dbraw/zinc/87/46/60/824874660.db2.gz KAMPEPFOQLMALA-QWRGUYRKSA-N 2 1 277.372 -0.038 20 0 CBADMP C[C@H]1C[NH2+]C[C@H](CNC(=O)c2cc3n(n2)CC[NH2+]C3)C1 ZINC001219662023 824875019 /nfs/dbraw/zinc/87/50/19/824875019.db2.gz IRHAISLKSZQBPA-GHMZBOCLSA-N 2 1 277.372 -0.038 20 0 CBADMP C[C@H]1C[NH2+]C[C@@H](CNC(=O)c2c3c(nn2C)C[NH2+]C3)C1 ZINC001219667034 824876345 /nfs/dbraw/zinc/87/63/45/824876345.db2.gz SMMULCACKMHETG-ZJUUUORDSA-N 2 1 277.372 -0.001 20 0 CBADMP CCOC(=O)CCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219691851 824879714 /nfs/dbraw/zinc/87/97/14/824879714.db2.gz XOYUOISKDAEFPX-UHFFFAOYSA-N 2 1 257.334 -0.603 20 0 CBADMP [NH3+]Cc1ncc(C(=O)NCCC2(O)C[NH2+]C2)s1 ZINC001219696171 824881204 /nfs/dbraw/zinc/88/12/04/824881204.db2.gz AVUCPSYKCNUDAC-UHFFFAOYSA-N 2 1 256.331 -0.944 20 0 CBADMP [NH3+][C@H](C(=O)NCCC1(O)C[NH2+]C1)c1ccsc1 ZINC001219694844 824882030 /nfs/dbraw/zinc/88/20/30/824882030.db2.gz NIDHZRZWVYKTPQ-VIFPVBQESA-N 2 1 255.343 -0.412 20 0 CBADMP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)C1 ZINC001219764349 824890552 /nfs/dbraw/zinc/89/05/52/824890552.db2.gz DLVQPLQWJUVGEQ-MQYQWHSLSA-N 2 1 280.416 -0.216 20 0 CBADMP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)C1 ZINC001219764349 824890555 /nfs/dbraw/zinc/89/05/55/824890555.db2.gz DLVQPLQWJUVGEQ-MQYQWHSLSA-N 2 1 280.416 -0.216 20 0 CBADMP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1COCC[NH2+]1 ZINC001219743639 824890670 /nfs/dbraw/zinc/89/06/70/824890670.db2.gz ILCMDCPZZNJOAO-NEPJUHHUSA-N 2 1 283.372 -0.608 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@]1(F)CCC[NH2+]C1 ZINC001219767776 824892219 /nfs/dbraw/zinc/89/22/19/824892219.db2.gz DWTAWVKKIRHQMX-ZDUSSCGKSA-N 3 1 272.368 -0.464 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC2CC3(C2)CC[NH2+]CC3)C1 ZINC001219774951 824893479 /nfs/dbraw/zinc/89/34/79/824893479.db2.gz GCGKNSBUEXIIHW-LBPRGKRZSA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC2CC3(C2)CC[NH2+]CC3)C1 ZINC001219774951 824893483 /nfs/dbraw/zinc/89/34/83/824893483.db2.gz GCGKNSBUEXIIHW-LBPRGKRZSA-N 2 1 267.373 -0.035 20 0 CBADMP C[NH+]1CCN(CC(=O)NC2CC3(C2)CC[NH2+]CC3)CC1 ZINC001219773114 824893978 /nfs/dbraw/zinc/89/39/78/824893978.db2.gz LTGXFEAPZLTNSP-UHFFFAOYSA-N 2 1 280.416 -0.118 20 0 CBADMP O=C(NC1CC2(C1)CC[NH2+]CC2)c1nnn2c1C[NH2+]CC2 ZINC001219782960 824894356 /nfs/dbraw/zinc/89/43/56/824894356.db2.gz NZGIFTSVXCVRNB-UHFFFAOYSA-N 2 1 290.371 -0.357 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805930 824894833 /nfs/dbraw/zinc/89/48/33/824894833.db2.gz WODLUIBFCFJSSW-FRRDWIJNSA-N 2 1 269.389 -0.102 20 0 CBADMP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798922 824895407 /nfs/dbraw/zinc/89/54/07/824895407.db2.gz YHXNPVRIOMZAKT-UPJWGTAASA-N 2 1 299.415 -0.333 20 0 CBADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)C1CC1 ZINC001219804174 824896524 /nfs/dbraw/zinc/89/65/24/824896524.db2.gz OODROBASSLDQDX-AGIUHOORSA-N 2 1 287.379 -0.153 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816115 824897526 /nfs/dbraw/zinc/89/75/26/824897526.db2.gz ZGSFWZKDXDCVFC-NEPJUHHUSA-N 2 1 255.362 -0.348 20 0 CBADMP [NH3+][C@H](C(=O)NCc1noc2c1CNCC2)C1CC[NH2+]CC1 ZINC001219811101 824898297 /nfs/dbraw/zinc/89/82/97/824898297.db2.gz KACDQXFPPLBUBS-ZDUSSCGKSA-N 2 1 293.371 -0.737 20 0 CBADMP CCOC(=O)CC(=N)NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219882816 824909304 /nfs/dbraw/zinc/90/93/04/824909304.db2.gz OCQFZANECUWYPW-UHFFFAOYSA-N 2 1 270.333 -0.625 20 0 CBADMP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001219891121 824910410 /nfs/dbraw/zinc/91/04/10/824910410.db2.gz OKKRRDGQWUPFCK-FZMZJTMJSA-N 2 1 280.372 -0.935 20 0 CBADMP C[C@@H]([NH3+])c1ncc(C(=O)NCC[NH2+]CCO)s1 ZINC001219919070 824915063 /nfs/dbraw/zinc/91/50/63/824915063.db2.gz WMIBRQMLDFJSLL-SSDOTTSWSA-N 2 1 258.347 -0.526 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219934972 824916126 /nfs/dbraw/zinc/91/61/26/824916126.db2.gz WDEGQGXJBJQHRQ-WCQYABFASA-N 2 1 263.345 -0.741 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219934970 824917147 /nfs/dbraw/zinc/91/71/47/824917147.db2.gz WDEGQGXJBJQHRQ-AAEUAGOBSA-N 2 1 263.345 -0.741 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2C[NH2+]C[C@@H]2N)C1 ZINC001219980701 824930112 /nfs/dbraw/zinc/93/01/12/824930112.db2.gz NHGAJWMLTHXIJR-SRVKXCTJSA-N 3 1 254.378 -0.619 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219978986 824930125 /nfs/dbraw/zinc/93/01/25/824930125.db2.gz XHLAGFXOHDLHRD-STQMWFEESA-N 3 1 280.416 -0.357 20 0 CBADMP N=c1cc(C[NH3+])ncn1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220020195 824937063 /nfs/dbraw/zinc/93/70/63/824937063.db2.gz AJRHGIGEQBXDNY-LLVKDONJSA-N 2 1 290.371 -0.664 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)n1c(C)ncc(C[NH3+])c1=N ZINC001220043286 824942212 /nfs/dbraw/zinc/94/22/12/824942212.db2.gz MJWAARAPMBZUKG-VIFPVBQESA-N 2 1 281.316 -0.950 20 0 CBADMP N=c1cc(C[NH3+])ccn1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220045318 824943993 /nfs/dbraw/zinc/94/39/93/824943993.db2.gz VQIZULURNYFZJW-GFCCVEGCSA-N 2 1 289.383 -0.059 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220069518 824948427 /nfs/dbraw/zinc/94/84/27/824948427.db2.gz BUAXRLLOXMKDGW-JTQLQIEISA-N 3 1 251.334 -0.345 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001220069683 824949226 /nfs/dbraw/zinc/94/92/26/824949226.db2.gz IRHKKTBOSUZNFR-LBPRGKRZSA-N 2 1 288.355 -0.108 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001220071339 824950892 /nfs/dbraw/zinc/95/08/92/824950892.db2.gz BKVJUJYJDLPXAB-KOLCDFICSA-N 2 1 250.302 -0.689 20 0 CBADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]([NH3+])CC(F)F ZINC001220103384 824954452 /nfs/dbraw/zinc/95/44/52/824954452.db2.gz QFAYSIWRYXSOFD-LURJTMIESA-N 3 1 251.281 -0.570 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001220157065 824973691 /nfs/dbraw/zinc/97/36/91/824973691.db2.gz WDBYCDDSQLRLDB-GVXVVHGQSA-N 2 1 252.362 -0.852 20 0 CBADMP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237367 824990559 /nfs/dbraw/zinc/99/05/59/824990559.db2.gz UTTTZWRGNLCLJX-XQQFMLRXSA-N 2 1 287.404 -0.476 20 0 CBADMP C[NH+](C)CC(C)(C)CNC(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001220254081 824995878 /nfs/dbraw/zinc/99/58/78/824995878.db2.gz JDMWXCKOWSLOEV-LLVKDONJSA-N 2 1 267.377 -0.017 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001220271888 825002058 /nfs/dbraw/zinc/00/20/58/825002058.db2.gz LFAIWKYBIZCDFP-MNOVXSKESA-N 2 1 261.341 -0.541 20 0 CBADMP Cn1cc(CCNC(=O)C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001220276856 825004355 /nfs/dbraw/zinc/00/43/55/825004355.db2.gz SJOJYSUZXCLXDN-UHFFFAOYSA-N 2 1 265.361 -0.580 20 0 CBADMP CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277357 825006050 /nfs/dbraw/zinc/00/60/50/825006050.db2.gz XUZNFKQZQAEAMD-UTUOFQBUSA-N 2 1 275.368 -0.153 20 0 CBADMP CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277357 825006040 /nfs/dbraw/zinc/00/60/40/825006040.db2.gz XUZNFKQZQAEAMD-UTUOFQBUSA-N 2 1 275.368 -0.153 20 0 CBADMP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@@H](CO)Cc1cnc[nH]1 ZINC001220291431 825007346 /nfs/dbraw/zinc/00/73/46/825007346.db2.gz UCRZBIBMEZMSEC-CMPLNLGQSA-N 2 1 283.376 -0.724 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001220306813 825008997 /nfs/dbraw/zinc/00/89/97/825008997.db2.gz OXWHHHNOERDTFC-STQMWFEESA-N 2 1 286.395 -0.312 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC001220306451 825009846 /nfs/dbraw/zinc/00/98/46/825009846.db2.gz KPJNNQHDMQHKQZ-ZDUSSCGKSA-N 2 1 284.404 -0.881 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)C2CC[NH2+]CC2)CC1 ZINC001220303911 825010439 /nfs/dbraw/zinc/01/04/39/825010439.db2.gz ISZCJWNGOIYITB-UHFFFAOYSA-N 2 1 268.405 -0.260 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001220303724 825010882 /nfs/dbraw/zinc/01/08/82/825010882.db2.gz AUJSVKZQBGXWCN-ZDUSSCGKSA-N 3 1 285.436 -0.804 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001220304144 825010975 /nfs/dbraw/zinc/01/09/75/825010975.db2.gz QZNILOFVCJVJFN-ITGUQSILSA-N 2 1 266.389 -0.795 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[NH+](CC)CC ZINC001220344746 825019323 /nfs/dbraw/zinc/01/93/23/825019323.db2.gz HTQBTYYEHPYXKK-UPJWGTAASA-N 2 1 287.404 -0.740 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[NH+](CC)CC ZINC001220344746 825019325 /nfs/dbraw/zinc/01/93/25/825019325.db2.gz HTQBTYYEHPYXKK-UPJWGTAASA-N 2 1 287.404 -0.740 20 0 CBADMP CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220352042 825020109 /nfs/dbraw/zinc/02/01/09/825020109.db2.gz RGIKMIJJIOCBSZ-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220352042 825020115 /nfs/dbraw/zinc/02/01/15/825020115.db2.gz RGIKMIJJIOCBSZ-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220352042 825020121 /nfs/dbraw/zinc/02/01/21/825020121.db2.gz RGIKMIJJIOCBSZ-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220352042 825020128 /nfs/dbraw/zinc/02/01/28/825020128.db2.gz RGIKMIJJIOCBSZ-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)CCC(C)(C)NC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220386460 825027167 /nfs/dbraw/zinc/02/71/67/825027167.db2.gz UZHURKAWABZYCX-CYBMUJFWSA-N 2 1 299.463 -0.417 20 0 CBADMP O=C(NCc1ccc2[nH]nnc2c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220426591 825037259 /nfs/dbraw/zinc/03/72/59/825037259.db2.gz KFTIWLDHFZDMOH-JTQLQIEISA-N 2 1 286.339 -0.617 20 0 CBADMP Cn1cncc1C[C@H]([NH3+])C(=O)NC1CC[NH+](CCF)CC1 ZINC001220436386 825038764 /nfs/dbraw/zinc/03/87/64/825038764.db2.gz VKXYPWQRQLZIEK-ZDUSSCGKSA-N 2 1 297.378 -0.160 20 0 CBADMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC[C@@H]1COCCN1 ZINC001220431866 825039973 /nfs/dbraw/zinc/03/99/73/825039973.db2.gz RUYRPXNBBCUIAV-OLZOCXBDSA-N 2 1 286.420 -0.413 20 0 CBADMP O=C(NC1CC[NH+](CCF)CC1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220436261 825040202 /nfs/dbraw/zinc/04/02/02/825040202.db2.gz SSWVOYXJRCTQHZ-RISCZKNCSA-N 2 1 284.379 -0.512 20 0 CBADMP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1COCC[NH2+]1 ZINC001220680596 825083844 /nfs/dbraw/zinc/08/38/44/825083844.db2.gz JSGLOTWGHGUYBH-QCNOEVLYSA-N 2 1 253.346 -0.236 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220682869 825083920 /nfs/dbraw/zinc/08/39/20/825083920.db2.gz FFGIJOITXFCDAT-OLZOCXBDSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)(F)c1ncncc1CNC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220674024 825084932 /nfs/dbraw/zinc/08/49/32/825084932.db2.gz QKELQYLCIBIVHV-VIFPVBQESA-N 2 1 269.324 -0.027 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)C[C@@H](O)C[NH3+])C2 ZINC001220716619 825093943 /nfs/dbraw/zinc/09/39/43/825093943.db2.gz MHLFKELRNYRLRC-WISYIIOYSA-N 2 1 255.362 -0.172 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755821 825095762 /nfs/dbraw/zinc/09/57/62/825095762.db2.gz XJADOBWUHPGUSF-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755821 825095770 /nfs/dbraw/zinc/09/57/70/825095770.db2.gz XJADOBWUHPGUSF-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755821 825095773 /nfs/dbraw/zinc/09/57/73/825095773.db2.gz XJADOBWUHPGUSF-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220768613 825098499 /nfs/dbraw/zinc/09/84/99/825098499.db2.gz VJEYJZZKWAFLRG-OLZOCXBDSA-N 2 1 285.388 -0.864 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001220779520 825100847 /nfs/dbraw/zinc/10/08/47/825100847.db2.gz USMJXAZETSCQBI-DJIHRAIXSA-N 2 1 252.362 -0.404 20 0 CBADMP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1COCC[NH2+]1 ZINC001220791430 825102128 /nfs/dbraw/zinc/10/21/28/825102128.db2.gz YBFNAPITYGJEIM-MELADBBJSA-N 2 1 290.367 -0.163 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@@H]1COC[NH2+]1 ZINC001220799576 825103439 /nfs/dbraw/zinc/10/34/39/825103439.db2.gz CVIREEGSIWBTJK-CSMHCCOUSA-N 2 1 267.251 -0.411 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)C1 ZINC001220806042 825104080 /nfs/dbraw/zinc/10/40/80/825104080.db2.gz XEXRLXJMJRDRRX-HXFLIBJXSA-N 2 1 280.294 -0.668 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C1 ZINC001220806047 825104251 /nfs/dbraw/zinc/10/42/51/825104251.db2.gz XEXRLXJMJRDRRX-XAVMHZPKSA-N 2 1 280.294 -0.668 20 0 CBADMP COc1cc(CNC(=O)[C@@H]([NH3+])CC[NH3+])cc(OC)c1O ZINC001220812777 825105572 /nfs/dbraw/zinc/10/55/72/825105572.db2.gz RGWBEESOVXVGCE-VIFPVBQESA-N 2 1 283.328 -0.298 20 0 CBADMP [NH3+][C@@H](Cc1ccsc1)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220872219 825116788 /nfs/dbraw/zinc/11/67/88/825116788.db2.gz OUSLOSSPIPBAKQ-NSHDSACASA-N 2 1 296.396 -0.834 20 0 CBADMP CC(C)(C)[C@H]([NH3+])CC(=O)NCCN1CC[NH2+]CC1=O ZINC001220875255 825118133 /nfs/dbraw/zinc/11/81/33/825118133.db2.gz ZPEPPMYLZQEORL-SNVBAGLBSA-N 2 1 270.377 -0.702 20 0 CBADMP CC[C@]1(C(=O)NCCN2CC[NH2+]CC2=O)CCC[NH2+]C1 ZINC001220874168 825118316 /nfs/dbraw/zinc/11/83/16/825118316.db2.gz BQESTPPMFVZWKL-AWEZNQCLSA-N 2 1 282.388 -0.686 20 0 CBADMP [NH3+]Cc1ccccc1C(=O)NCCN1CC[NH2+]CC1=O ZINC001220875937 825118553 /nfs/dbraw/zinc/11/85/53/825118553.db2.gz BTJUJRMJEIBZDO-UHFFFAOYSA-N 2 1 276.340 -0.693 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930610 825124306 /nfs/dbraw/zinc/12/43/06/825124306.db2.gz SDUAMIKQEUKNFV-NHCYSSNCSA-N 3 1 270.377 -0.840 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001220929863 825124528 /nfs/dbraw/zinc/12/45/28/825124528.db2.gz HZELUBPSDFQRHQ-UZWSLXQKSA-N 2 1 282.388 -0.827 20 0 CBADMP [NH3+]Cc1ncc(C(=O)NCCO[C@@H]2CC[NH2+]C2)s1 ZINC001220936867 825127534 /nfs/dbraw/zinc/12/75/34/825127534.db2.gz JPPDEYXYERWSAF-MRVPVSSYSA-N 2 1 270.358 -0.290 20 0 CBADMP CC1(C)C[C@@H](CNC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CCO1 ZINC001220952786 825128789 /nfs/dbraw/zinc/12/87/89/825128789.db2.gz CZMUYOIUEOUXDN-AXFHLTTASA-N 2 1 255.362 -0.003 20 0 CBADMP COCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978348 825131808 /nfs/dbraw/zinc/13/18/08/825131808.db2.gz YRRLOAWPXSNOEO-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP COCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978348 825131811 /nfs/dbraw/zinc/13/18/11/825131811.db2.gz YRRLOAWPXSNOEO-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220994626 825133539 /nfs/dbraw/zinc/13/35/39/825133539.db2.gz ZQDGWUJQTHBWCV-KGLIPLIRSA-N 2 1 299.415 -0.594 20 0 CBADMP O=C(NCc1[nH+]cn2ccccc12)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221008706 825135638 /nfs/dbraw/zinc/13/56/38/825135638.db2.gz YHTFOVSBSJIGNB-NSHDSACASA-N 3 1 285.351 -0.241 20 0 CBADMP O=C(NCc1[nH+]cn2ccccc12)[C@H]1C[NH2+]C[C@@H]1O ZINC001221007873 825135830 /nfs/dbraw/zinc/13/58/30/825135830.db2.gz GNAUVSJNPLLYID-CABZTGNLSA-N 2 1 260.297 -0.469 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1cn(CC2CC2)cn1 ZINC001221023870 825138663 /nfs/dbraw/zinc/13/86/63/825138663.db2.gz UHAKZPDTYGHBRJ-NSHDSACASA-N 2 1 251.334 -0.415 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221083021 825141461 /nfs/dbraw/zinc/14/14/61/825141461.db2.gz BJUDGWVJQJPZRK-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP Cc1nccnc1CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001221104214 825142965 /nfs/dbraw/zinc/14/29/65/825142965.db2.gz ZRFDXHZUWIZGFN-UHFFFAOYSA-N 2 1 263.345 -0.257 20 0 CBADMP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091385 825143225 /nfs/dbraw/zinc/14/32/25/825143225.db2.gz MNHNLLYXFCWOJS-XQQFMLRXSA-N 2 1 287.404 -0.477 20 0 CBADMP COC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091385 825143228 /nfs/dbraw/zinc/14/32/28/825143228.db2.gz MNHNLLYXFCWOJS-XQQFMLRXSA-N 2 1 287.404 -0.477 20 0 CBADMP COC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091385 825143232 /nfs/dbraw/zinc/14/32/32/825143232.db2.gz MNHNLLYXFCWOJS-XQQFMLRXSA-N 2 1 287.404 -0.477 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001221093114 825143379 /nfs/dbraw/zinc/14/33/79/825143379.db2.gz CGQHPEOMFFLAMR-OLZOCXBDSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001221093114 825143381 /nfs/dbraw/zinc/14/33/81/825143381.db2.gz CGQHPEOMFFLAMR-OLZOCXBDSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001221093114 825143385 /nfs/dbraw/zinc/14/33/85/825143385.db2.gz CGQHPEOMFFLAMR-OLZOCXBDSA-N 2 1 269.389 -0.102 20 0 CBADMP COC(=O)[C@@](C)(NC(=O)[C@@H]([NH3+])CC[NH3+])C(F)(F)F ZINC001221219271 825157067 /nfs/dbraw/zinc/15/70/67/825157067.db2.gz RLVPTCQVCYICHG-YLWLKBPMSA-N 2 1 271.239 -0.727 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001221241084 825157774 /nfs/dbraw/zinc/15/77/74/825157774.db2.gz NIOATFLQSLAXKD-UBHSHLNASA-N 2 1 266.389 -0.462 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001221240948 825158110 /nfs/dbraw/zinc/15/81/10/825158110.db2.gz IKQIBHOADLKQBF-CMPLNLGQSA-N 2 1 257.334 -0.523 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N[C@]1(C)CCC[N@H+](C)C1 ZINC001221240948 825158112 /nfs/dbraw/zinc/15/81/12/825158112.db2.gz IKQIBHOADLKQBF-CMPLNLGQSA-N 2 1 257.334 -0.523 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)CNC2CC[NH2+]CC2)C1 ZINC001221241486 825158665 /nfs/dbraw/zinc/15/86/65/825158665.db2.gz WIASMIFXOJSNQY-AWEZNQCLSA-N 2 1 268.405 -0.072 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001221241089 825159186 /nfs/dbraw/zinc/15/91/86/825159186.db2.gz NJWJLPNQMVSITE-DGCLKSJQSA-N 2 1 265.361 -0.120 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N[C@@]1(C)CCC[N@H+](C)C1 ZINC001221241186 825159328 /nfs/dbraw/zinc/15/93/28/825159328.db2.gz QCVDPHGTGALXJJ-GWCFXTLKSA-N 2 1 271.361 -0.133 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001221241186 825159333 /nfs/dbraw/zinc/15/93/33/825159333.db2.gz QCVDPHGTGALXJJ-GWCFXTLKSA-N 2 1 271.361 -0.133 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC001221243529 825160260 /nfs/dbraw/zinc/16/02/60/825160260.db2.gz KAGADXUKTAGTPE-YPMHNXCESA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1C[C@@H](C(=O)NCCCCCO)OC2(CC[NH2+]CC2)C1 ZINC001221281275 825167154 /nfs/dbraw/zinc/16/71/54/825167154.db2.gz AMAGWWBYJUZGAQ-ZDUSSCGKSA-N 2 1 299.415 -0.282 20 0 CBADMP C[N@H+]1C[C@@H](C(=O)NCCCC[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001221344830 825175360 /nfs/dbraw/zinc/17/53/60/825175360.db2.gz FSSXTBICBBZNFR-LBPRGKRZSA-N 3 1 284.404 -0.706 20 0 CBADMP CN1C[C@@H](C(=O)NCCCC[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001221344830 825175362 /nfs/dbraw/zinc/17/53/62/825175362.db2.gz FSSXTBICBBZNFR-LBPRGKRZSA-N 2 1 284.404 -0.706 20 0 CBADMP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)CNCC[NH3+] ZINC001221357807 825175754 /nfs/dbraw/zinc/17/57/54/825175754.db2.gz KGWQWZUEHSJYMU-GFCCVEGCSA-N 2 1 286.420 -0.602 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)[C@@H](C)C1 ZINC001221405898 825183868 /nfs/dbraw/zinc/18/38/68/825183868.db2.gz CKYDREAEFBBDMV-RNJOBUHISA-N 2 1 268.405 -0.089 20 0 CBADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)[C@@H](C)C1 ZINC001221405898 825183871 /nfs/dbraw/zinc/18/38/71/825183871.db2.gz CKYDREAEFBBDMV-RNJOBUHISA-N 2 1 268.405 -0.089 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)[C@@H](C)C1 ZINC001221405898 825183873 /nfs/dbraw/zinc/18/38/73/825183873.db2.gz CKYDREAEFBBDMV-RNJOBUHISA-N 2 1 268.405 -0.089 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2O)[C@H](C)C1 ZINC001221407040 825184232 /nfs/dbraw/zinc/18/42/32/825184232.db2.gz KHAMJDQXTBAMMF-FVCCEPFGSA-N 2 1 269.389 -0.198 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCN2)[C@H](C)C1 ZINC001221406252 825184448 /nfs/dbraw/zinc/18/44/48/825184448.db2.gz DXNUNHIQGIFHGE-UPJWGTAASA-N 2 1 268.405 -0.217 20 0 CBADMP Cc1nc(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n[nH]1 ZINC001221409909 825185161 /nfs/dbraw/zinc/18/51/61/825185161.db2.gz VOAIHWFTWXUAMM-JTQLQIEISA-N 2 1 252.322 -0.944 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@@H](O)C[NH3+])[C@H](C)C1 ZINC001221409970 825185539 /nfs/dbraw/zinc/18/55/39/825185539.db2.gz WCZYOOXANZLJFY-UTUOFQBUSA-N 2 1 257.378 -0.069 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CC[C@@H]2O)[C@H](C)C1 ZINC001221408460 825185990 /nfs/dbraw/zinc/18/59/90/825185990.db2.gz JMJWVYIMDYSTJI-VOAKCMCISA-N 2 1 269.389 -0.056 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CNCC[NH3+])[C@H](C)C1 ZINC001221410611 825186079 /nfs/dbraw/zinc/18/60/79/825186079.db2.gz SMDIDDDPHRDLOE-VXGBXAGGSA-N 2 1 256.394 -0.230 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221411872 825187731 /nfs/dbraw/zinc/18/77/31/825187731.db2.gz YHLRHSLWWABMMY-STQMWFEESA-N 2 1 277.372 -0.216 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791339 825193647 /nfs/dbraw/zinc/19/36/47/825193647.db2.gz HGEMBKWJJXDHQQ-YNEHKIRRSA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791339 825193651 /nfs/dbraw/zinc/19/36/51/825193651.db2.gz HGEMBKWJJXDHQQ-YNEHKIRRSA-N 2 1 296.415 -0.395 20 0 CBADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NC)C[C@H]21 ZINC001221919634 825197779 /nfs/dbraw/zinc/19/77/79/825197779.db2.gz ZERPZIXILLQJNY-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NC)C[C@H]21 ZINC001221919634 825197783 /nfs/dbraw/zinc/19/77/83/825197783.db2.gz ZERPZIXILLQJNY-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC)C[C@H]21 ZINC001221919634 825197789 /nfs/dbraw/zinc/19/77/89/825197789.db2.gz ZERPZIXILLQJNY-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]21 ZINC001221919634 825197793 /nfs/dbraw/zinc/19/77/93/825197793.db2.gz ZERPZIXILLQJNY-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP Nc1[nH]cc(CN2CCNC3(CC[NH2+]CC3)C2)[nH+]1 ZINC001222109545 825200788 /nfs/dbraw/zinc/20/07/88/825200788.db2.gz KLAGKKLQJSEBQG-UHFFFAOYSA-N 2 1 250.350 -0.481 20 0 CBADMP COC(=O)[C@@H](C)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491569 825211783 /nfs/dbraw/zinc/21/17/83/825211783.db2.gz FAPIROCAQVOJRA-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP N[C@@H]1NC(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)=CS1 ZINC001222491699 825211909 /nfs/dbraw/zinc/21/19/09/825211909.db2.gz HADYYNOJUSJGNJ-SDDRHHMPSA-N 2 1 269.418 -0.568 20 0 CBADMP C([C@@H]1C[NH2+]CCO1)N1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492514 825213357 /nfs/dbraw/zinc/21/33/57/825213357.db2.gz ZANBROPZWWBHQR-AVGNSLFASA-N 3 1 254.378 -0.999 20 0 CBADMP O=C1NCC[C@]12C[N@@H+](CCCCCO)CC21C[NH2+]C1 ZINC001222520857 825214607 /nfs/dbraw/zinc/21/46/07/825214607.db2.gz LWGQXMYGWNGCSN-AWEZNQCLSA-N 2 1 267.373 -0.440 20 0 CBADMP C[NH+]1CCN(C(=O)CO[C@H]2CCC[N@H+](C)C2)CC1 ZINC001222536953 825215314 /nfs/dbraw/zinc/21/53/14/825215314.db2.gz KXYBHMBKVTYVEC-LBPRGKRZSA-N 2 1 255.362 -0.129 20 0 CBADMP C[NH+]1CCN(C(=O)CO[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001222536953 825215320 /nfs/dbraw/zinc/21/53/20/825215320.db2.gz KXYBHMBKVTYVEC-LBPRGKRZSA-N 2 1 255.362 -0.129 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCO)C1 ZINC001225525692 825259298 /nfs/dbraw/zinc/25/92/98/825259298.db2.gz TUNCNGBSPJIQOT-MGPQQGTHSA-N 2 1 299.415 -0.284 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCO)C1 ZINC001225525692 825259303 /nfs/dbraw/zinc/25/93/03/825259303.db2.gz TUNCNGBSPJIQOT-MGPQQGTHSA-N 2 1 299.415 -0.284 20 0 CBADMP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1cnc[nH]1 ZINC001226678979 825285175 /nfs/dbraw/zinc/28/51/75/825285175.db2.gz BYPWILBFCMBHGU-VXGBXAGGSA-N 2 1 293.371 -0.155 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)C1CCC1 ZINC001226831032 825289412 /nfs/dbraw/zinc/28/94/12/825289412.db2.gz MFUJDJGGJGHXGW-CHWSQXEVSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227797311 825308081 /nfs/dbraw/zinc/30/80/81/825308081.db2.gz HAJLVZOTSOZYJY-GXFFZTMASA-N 2 1 296.415 -0.219 20 0 CBADMP CC[C@H](C(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1)[NH+](C)C ZINC001227979469 825311396 /nfs/dbraw/zinc/31/13/96/825311396.db2.gz HOQUYCLLCUAJDH-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001228054456 825312141 /nfs/dbraw/zinc/31/21/41/825312141.db2.gz QRWQBYAIAQSOSU-UHFFFAOYSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001228054456 825312147 /nfs/dbraw/zinc/31/21/47/825312147.db2.gz QRWQBYAIAQSOSU-UHFFFAOYSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)CCCC(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001228889303 825324065 /nfs/dbraw/zinc/32/40/65/825324065.db2.gz YJORHIHWOJTQHN-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229000037 825325910 /nfs/dbraw/zinc/32/59/10/825325910.db2.gz XHVPTVQBJXMFTJ-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@H+](C)CCC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001229895509 825338955 /nfs/dbraw/zinc/33/89/55/825338955.db2.gz LMGZEHCIUCHDCP-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001229895509 825338958 /nfs/dbraw/zinc/33/89/58/825338958.db2.gz LMGZEHCIUCHDCP-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](CCO)CC1 ZINC001229909516 825339514 /nfs/dbraw/zinc/33/95/14/825339514.db2.gz XZCBHGHLCSFDQT-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230262770 825344749 /nfs/dbraw/zinc/34/47/49/825344749.db2.gz RGRYDFLIWINSAN-OCCSQVGLSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1c[nH]c(=O)[nH]c1=O ZINC001231703194 825412843 /nfs/dbraw/zinc/41/28/43/825412843.db2.gz QRSRKFIDJHLLTO-UHFFFAOYSA-N 2 1 281.360 -0.433 20 0 CBADMP Cc1nnc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)s1 ZINC001234986662 825479927 /nfs/dbraw/zinc/47/99/27/825479927.db2.gz DYWVOHKVVWYDAB-LLVKDONJSA-N 2 1 253.375 -0.016 20 0 CBADMP c1c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)nc2n1CCOC2 ZINC001234987596 825480126 /nfs/dbraw/zinc/48/01/26/825480126.db2.gz HPBHRXDVOCHTJJ-AWEZNQCLSA-N 2 1 277.372 -0.449 20 0 CBADMP CSc1ncc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(N)n1 ZINC001234986610 825480456 /nfs/dbraw/zinc/48/04/56/825480456.db2.gz KSSHYFRWFINYHJ-CYBMUJFWSA-N 2 1 294.428 -0.082 20 0 CBADMP COC(=O)c1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)[nH]1 ZINC001234987933 825480685 /nfs/dbraw/zinc/48/06/85/825480685.db2.gz JLILINUTWXJBPH-AWEZNQCLSA-N 2 1 278.356 -0.061 20 0 CBADMP CC1(C)[NH2+]C[C@@H](CN2CC[NH2+]C[C@@]23CC[NH2+]C3)O1 ZINC001234981892 825481154 /nfs/dbraw/zinc/48/11/54/825481154.db2.gz PTYOICGIPBOAPV-AAEUAGOBSA-N 3 1 254.378 -0.652 20 0 CBADMP CSc1ncc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(N)n1 ZINC001234986620 825481244 /nfs/dbraw/zinc/48/12/44/825481244.db2.gz KSSHYFRWFINYHJ-ZDUSSCGKSA-N 2 1 294.428 -0.082 20 0 CBADMP c1ccn2nc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)nc2c1 ZINC001234987922 825481273 /nfs/dbraw/zinc/48/12/73/825481273.db2.gz HVAWZKRGHHDEKB-CQSZACIVSA-N 2 1 272.356 -0.133 20 0 CBADMP CCOC(=O)c1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)[nH]n1 ZINC001234990793 825481278 /nfs/dbraw/zinc/48/12/78/825481278.db2.gz OADYYQJKMGZLOK-AWEZNQCLSA-N 2 1 293.371 -0.276 20 0 CBADMP CNc1nccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)n1 ZINC001234991063 825482148 /nfs/dbraw/zinc/48/21/48/825482148.db2.gz VVDPNLZEWRBAFB-ZDUSSCGKSA-N 2 1 262.361 -0.344 20 0 CBADMP C[NH+]1CCC(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001235056325 825485082 /nfs/dbraw/zinc/48/50/82/825485082.db2.gz XSZFEYJYZIPFDR-CQSZACIVSA-N 3 1 252.406 -0.035 20 0 CBADMP C[NH+]1CCC(CN2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001235056325 825485086 /nfs/dbraw/zinc/48/50/86/825485086.db2.gz XSZFEYJYZIPFDR-CQSZACIVSA-N 2 1 252.406 -0.035 20 0 CBADMP c1nc2n(c1CN1CCN[C@]3(CC[NH2+]C3)C1)CC[NH2+]C2 ZINC001235059962 825485123 /nfs/dbraw/zinc/48/51/23/825485123.db2.gz DFQANDKWFMEFLV-AWEZNQCLSA-N 2 1 276.388 -0.876 20 0 CBADMP CC(C)(C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC001235055604 825485485 /nfs/dbraw/zinc/48/54/85/825485485.db2.gz TXAUFBTZEVBGRF-OAHLLOKOSA-N 2 1 282.432 -0.266 20 0 CBADMP CC(C)(C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC001235055604 825485490 /nfs/dbraw/zinc/48/54/90/825485490.db2.gz TXAUFBTZEVBGRF-OAHLLOKOSA-N 2 1 282.432 -0.266 20 0 CBADMP CCOC(=O)[C@H]1C[C@@H]2C[N@@H+](CCCC[NH3+])C[C@@H]2N1 ZINC001235267203 825491207 /nfs/dbraw/zinc/49/12/07/825491207.db2.gz GVTTUKZIADBREG-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C[C@H](C)[NH3+])C2 ZINC001235337420 825494934 /nfs/dbraw/zinc/49/49/34/825494934.db2.gz MEUAEXQEYREEHG-XJGUIPMBSA-N 3 1 267.373 -0.336 20 0 CBADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(C[C@H](C)[NH3+])C2 ZINC001235337420 825494941 /nfs/dbraw/zinc/49/49/41/825494941.db2.gz MEUAEXQEYREEHG-XJGUIPMBSA-N 2 1 267.373 -0.336 20 0 CBADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C[C@H](C)N)C2 ZINC001235337420 825494945 /nfs/dbraw/zinc/49/49/45/825494945.db2.gz MEUAEXQEYREEHG-XJGUIPMBSA-N 2 1 267.373 -0.336 20 0 CBADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C[C@H](C)N)C2 ZINC001235337420 825494949 /nfs/dbraw/zinc/49/49/49/825494949.db2.gz MEUAEXQEYREEHG-XJGUIPMBSA-N 2 1 267.373 -0.336 20 0 CBADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1CN1CC[NH2+]C[C@@H]1CO ZINC001235443364 825495465 /nfs/dbraw/zinc/49/54/65/825495465.db2.gz MZYLKTATQRDGQP-MXWKQRLJSA-N 2 1 263.332 -0.257 20 0 CBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C[C@@H](C)[NH3+])C2)C1 ZINC001235521897 825500758 /nfs/dbraw/zinc/50/07/58/825500758.db2.gz XFKVFRIVPHUTLE-UKRRQHHQSA-N 2 1 298.431 -0.506 20 0 CBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C[C@@H](C)[NH3+])C2)C1 ZINC001235521897 825500763 /nfs/dbraw/zinc/50/07/63/825500763.db2.gz XFKVFRIVPHUTLE-UKRRQHHQSA-N 2 1 298.431 -0.506 20 0 CBADMP CC(=O)N1CCOC[C@@]2(C[N@@H+](CCCC[NH3+])CCO2)C1 ZINC001235543161 825501017 /nfs/dbraw/zinc/50/10/17/825501017.db2.gz UUUOZDRRYKJTIF-CQSZACIVSA-N 2 1 285.388 -0.325 20 0 CBADMP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001235596507 825507035 /nfs/dbraw/zinc/50/70/35/825507035.db2.gz KDNDVDSDLICEDU-LOWDOPEQSA-N 2 1 283.372 -0.308 20 0 CBADMP C[C@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001235596507 825507039 /nfs/dbraw/zinc/50/70/39/825507039.db2.gz KDNDVDSDLICEDU-LOWDOPEQSA-N 2 1 283.372 -0.308 20 0 CBADMP COCCN1C[C@@H]2C[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C[C@@H]2C1=O ZINC001235599418 825507097 /nfs/dbraw/zinc/50/70/97/825507097.db2.gz ZVHZRSFBBMAHGU-AVGNSLFASA-N 2 1 297.399 -0.253 20 0 CBADMP COCCN1C[C@@H]2C[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C[C@@H]2C1=O ZINC001235599418 825507098 /nfs/dbraw/zinc/50/70/98/825507098.db2.gz ZVHZRSFBBMAHGU-AVGNSLFASA-N 2 1 297.399 -0.253 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])[C@@H](O)[C@@H]2O1 ZINC001235958293 825517840 /nfs/dbraw/zinc/51/78/40/825517840.db2.gz CTNXAQIEZUFASW-LHWOPQQMSA-N 2 1 298.383 -0.107 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])[C@@H](O)[C@@H]2O1 ZINC001235958293 825517843 /nfs/dbraw/zinc/51/78/43/825517843.db2.gz CTNXAQIEZUFASW-LHWOPQQMSA-N 2 1 298.383 -0.107 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](CCCO)C[C@H]1C2 ZINC001236023705 825520278 /nfs/dbraw/zinc/52/02/78/825520278.db2.gz UCPAGJOEWIUADG-CZXHOFHRSA-N 2 1 268.357 -0.301 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CC2(C)CC[NH2+]CC2)C[C@@H]1N ZINC001236340013 825526909 /nfs/dbraw/zinc/52/69/09/825526909.db2.gz GWULVILKTCXGEO-MNOVXSKESA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@@H]1CN(CC2(C)CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001236340013 825526915 /nfs/dbraw/zinc/52/69/15/825526915.db2.gz GWULVILKTCXGEO-MNOVXSKESA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@H]1CN(CC(C)(C)[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC001236344571 825528006 /nfs/dbraw/zinc/52/80/06/825528006.db2.gz RLPORHOMIBWCDF-RYUDHWBXSA-N 2 1 285.388 -0.471 20 0 CBADMP COC(=O)[C@H]1CN(Cc2c[nH+]c(C)n2C)C[C@H]1[NH3+] ZINC001236344095 825528390 /nfs/dbraw/zinc/52/83/90/825528390.db2.gz MWTQJZQVCZFACD-WDEREUQCSA-N 2 1 252.318 -0.339 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]1N ZINC001236343984 825528423 /nfs/dbraw/zinc/52/84/23/825528423.db2.gz QPNMAKOZCOEJCB-NEPJUHHUSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@@H]1CN(CCC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001236343984 825528425 /nfs/dbraw/zinc/52/84/25/825528425.db2.gz QPNMAKOZCOEJCB-NEPJUHHUSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@@H]1N ZINC001236346206 825529677 /nfs/dbraw/zinc/52/96/77/825529677.db2.gz YFQUHCDSPWGMJI-RYUDHWBXSA-N 2 1 255.362 -0.240 20 0 CBADMP COC(=O)[C@H]1CN(CC2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC001236346206 825529680 /nfs/dbraw/zinc/52/96/80/825529680.db2.gz YFQUHCDSPWGMJI-RYUDHWBXSA-N 2 1 255.362 -0.240 20 0 CBADMP NCC[N@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236400503 825532478 /nfs/dbraw/zinc/53/24/78/825532478.db2.gz XKSCTHYYAWRIQW-UHFFFAOYSA-N 2 1 270.421 -0.421 20 0 CBADMP NCC[N@@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236400503 825532482 /nfs/dbraw/zinc/53/24/82/825532482.db2.gz XKSCTHYYAWRIQW-UHFFFAOYSA-N 2 1 270.421 -0.421 20 0 CBADMP COC(=O)[C@H]1CN(Cc2[nH]c(C)[nH+]c2C)C[C@@H]1[NH3+] ZINC001236363166 825532528 /nfs/dbraw/zinc/53/25/28/825532528.db2.gz ZPSFLMOTOJFNMF-UWVGGRQHSA-N 2 1 252.318 -0.041 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@](C)(C[NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001236604203 825533929 /nfs/dbraw/zinc/53/39/29/825533929.db2.gz JIDDHEBASGWUBU-XJBAAKRRSA-N 2 1 286.372 -0.106 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@](C)(C[NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001236604203 825533931 /nfs/dbraw/zinc/53/39/31/825533931.db2.gz JIDDHEBASGWUBU-XJBAAKRRSA-N 2 1 286.372 -0.106 20 0 CBADMP CCOC(=O)[C@H]1C[N@@H+](CCCO)CCC12C[NH2+]C2 ZINC001237409182 825535452 /nfs/dbraw/zinc/53/54/52/825535452.db2.gz GMOGWQPOBXGCDD-LLVKDONJSA-N 2 1 256.346 -0.157 20 0 CBADMP [NH3+]CCS(=O)(=O)NCc1[nH+]cn2ccccc12 ZINC001238827901 825565071 /nfs/dbraw/zinc/56/50/71/825565071.db2.gz KOFKLCJJVBFYIK-UHFFFAOYSA-N 2 1 254.315 -0.288 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NS(=O)(=O)CC[NH3+])[C@@H](C)C1 ZINC001238912355 825570706 /nfs/dbraw/zinc/57/07/06/825570706.db2.gz LIGHDRDUGLOLTO-QWRGUYRKSA-N 2 1 263.407 -0.017 20 0 CBADMP [NH3+][C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCC1(F)F ZINC001238982401 825580722 /nfs/dbraw/zinc/58/07/22/825580722.db2.gz DVTAFTFQQHCSJC-JTQLQIEISA-N 2 1 297.371 -0.016 20 0 CBADMP Cc1ccc2c([nH+]1)N(C)CCN(S(=O)(=O)CC[NH3+])C2 ZINC001239078310 825585449 /nfs/dbraw/zinc/58/54/49/825585449.db2.gz UKDDHJZIUFKXBH-UHFFFAOYSA-N 2 1 284.385 -0.070 20 0 CBADMP C[N@H+]1CC[C@H]2CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@H]21 ZINC001239101790 825587627 /nfs/dbraw/zinc/58/76/27/825587627.db2.gz TZTJIHLDPYASHM-QWHCGFSZSA-N 2 1 287.429 -0.048 20 0 CBADMP C[N@@H+](C1CC1)C1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001239114159 825589948 /nfs/dbraw/zinc/58/99/48/825589948.db2.gz UPCDKZNKFJMGFP-UHFFFAOYSA-N 2 1 261.391 -0.167 20 0 CBADMP CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001239117148 825589994 /nfs/dbraw/zinc/58/99/94/825589994.db2.gz KEXQVVXXHLPEMR-GHMZBOCLSA-N 2 1 261.391 -0.248 20 0 CBADMP S=C(NCCC[NH+]1CCOCC1)N1C[C@H]2C[NH2+]C[C@@H]21 ZINC001239452223 825604873 /nfs/dbraw/zinc/60/48/73/825604873.db2.gz OCQNJYPERQKGDG-NEPJUHHUSA-N 2 1 284.429 -0.513 20 0 CBADMP [NH3+]C1(C[NH2+]C[C@H](O)CN2CCOCC2)CCCC1 ZINC001245971678 825616483 /nfs/dbraw/zinc/61/64/83/825616483.db2.gz BOWAYSDFXOZVOJ-LBPRGKRZSA-N 2 1 257.378 -0.459 20 0 CBADMP CCCOC[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C(=O)OCC ZINC001245982472 825616813 /nfs/dbraw/zinc/61/68/13/825616813.db2.gz PJIYXLQMFPAVMJ-UPJWGTAASA-N 2 1 288.388 -0.095 20 0 CBADMP CCCOC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001245982469 825616951 /nfs/dbraw/zinc/61/69/51/825616951.db2.gz PJIYXLQMFPAVMJ-FRRDWIJNSA-N 2 1 288.388 -0.095 20 0 CBADMP OCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC23C[NH2+]C3)cc1 ZINC001246011950 825620455 /nfs/dbraw/zinc/62/04/55/825620455.db2.gz ZYWHFUOEMWWYQJ-UKRRQHHQSA-N 2 1 292.379 -0.087 20 0 CBADMP CCN(CC)C[C@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246010732 825620874 /nfs/dbraw/zinc/62/08/74/825620874.db2.gz ZMPZJSYJCXLGJX-NEPJUHHUSA-N 2 1 274.409 -0.738 20 0 CBADMP COc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246020227 825621985 /nfs/dbraw/zinc/62/19/85/825621985.db2.gz ILEMZAKCOOYNGW-YNEHKIRRSA-N 2 1 296.367 -0.314 20 0 CBADMP COc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246020227 825621991 /nfs/dbraw/zinc/62/19/91/825621991.db2.gz ILEMZAKCOOYNGW-YNEHKIRRSA-N 2 1 296.367 -0.314 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@@H+](CC2(O)CC[NH2+]CC2)CC1 ZINC001246020432 825622234 /nfs/dbraw/zinc/62/22/34/825622234.db2.gz LJNMUWGRJGJBAV-GFCCVEGCSA-N 3 1 257.378 -0.723 20 0 CBADMP [NH3+]CCCC[C@H]([NH2+]C[C@]1(O)CC[NH2+]C1)C(=O)N1CCCC1 ZINC001246018974 825622714 /nfs/dbraw/zinc/62/27/14/825622714.db2.gz HXKANQVRNXWANN-ZFWWWQNUSA-N 3 1 298.431 -0.580 20 0 CBADMP CC(C)OC[C@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021283 825623489 /nfs/dbraw/zinc/62/34/89/825623489.db2.gz FJJOWOCHLGYUEH-RDBSUJKOSA-N 2 1 271.405 -0.202 20 0 CBADMP CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246023027 825623828 /nfs/dbraw/zinc/62/38/28/825623828.db2.gz RTCQXVLQFRWTFM-FZMZJTMJSA-N 2 1 288.388 -0.135 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@@H+](CC2(O)CCOCC2)CC1 ZINC001246024388 825624077 /nfs/dbraw/zinc/62/40/77/825624077.db2.gz VHLHFEMURZZVED-GFCCVEGCSA-N 2 1 258.362 -0.296 20 0 CBADMP CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246023156 825624638 /nfs/dbraw/zinc/62/46/38/825624638.db2.gz OQEDGBVJTHEFIU-FZMZJTMJSA-N 2 1 288.388 -0.135 20 0 CBADMP CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246023156 825624641 /nfs/dbraw/zinc/62/46/41/825624641.db2.gz OQEDGBVJTHEFIU-FZMZJTMJSA-N 2 1 288.388 -0.135 20 0 CBADMP CCCOC[C@@H](O)C[N@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246027889 825626046 /nfs/dbraw/zinc/62/60/46/825626046.db2.gz YPHNIOSPBPOEIH-WFASDCNBSA-N 2 1 297.399 -0.815 20 0 CBADMP O[C@H](COCc1ccco1)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246026434 825626224 /nfs/dbraw/zinc/62/62/24/825626224.db2.gz NHILSXXOLCHMGS-ZFWWWQNUSA-N 2 1 295.383 -0.206 20 0 CBADMP O[C@H](COCc1ccco1)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246026434 825626227 /nfs/dbraw/zinc/62/62/27/825626227.db2.gz NHILSXXOLCHMGS-ZFWWWQNUSA-N 2 1 295.383 -0.206 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246025201 825626327 /nfs/dbraw/zinc/62/63/27/825626327.db2.gz GORLHAZNUPQKSD-OCCSQVGLSA-N 3 1 270.421 -0.627 20 0 CBADMP O[C@@]1(CN2CCNC[C@]3(CCCC[NH2+]3)C2)CC[NH2+]C1 ZINC001246030331 825627116 /nfs/dbraw/zinc/62/71/16/825627116.db2.gz RTANJPZJOYXTCU-KGLIPLIRSA-N 2 1 268.405 -0.872 20 0 CBADMP O[C@H](COCc1ccco1)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246028996 825628127 /nfs/dbraw/zinc/62/81/27/825628127.db2.gz OGEURKYZQJOVJR-ZFWWWQNUSA-N 2 1 295.383 -0.206 20 0 CBADMP N[C@@H]1C[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CCC1(F)F ZINC001246031067 825628285 /nfs/dbraw/zinc/62/82/85/825628285.db2.gz HMAQDZRSCWVCHV-GHMZBOCLSA-N 2 1 293.358 -0.480 20 0 CBADMP N[C@@H]1C[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CCC1(F)F ZINC001246031067 825628289 /nfs/dbraw/zinc/62/82/89/825628289.db2.gz HMAQDZRSCWVCHV-GHMZBOCLSA-N 2 1 293.358 -0.480 20 0 CBADMP CCOC(=O)C[C@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246035198 825628669 /nfs/dbraw/zinc/62/86/69/825628669.db2.gz ZWOXWTHBMLJQBN-LBPRGKRZSA-N 2 1 285.388 -0.672 20 0 CBADMP CCCOC[C@@H](O)C[NH+]1CCC([C@H]([NH3+])C(=O)OC)CC1 ZINC001246047967 825628821 /nfs/dbraw/zinc/62/88/21/825628821.db2.gz GAVJGUZNJYWYAC-STQMWFEESA-N 2 1 288.388 -0.014 20 0 CBADMP CCOC(=O)C[C@H](O)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246048668 825628922 /nfs/dbraw/zinc/62/89/22/825628922.db2.gz ZRIVUFINFLMCLL-NUVITONLSA-N 2 1 272.345 -0.794 20 0 CBADMP CCOC(=O)C[C@H](O)C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246048668 825628925 /nfs/dbraw/zinc/62/89/25/825628925.db2.gz ZRIVUFINFLMCLL-NUVITONLSA-N 2 1 272.345 -0.794 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246034552 825629345 /nfs/dbraw/zinc/62/93/45/825629345.db2.gz XNRKLGHWKICQJW-CYBMUJFWSA-N 3 1 284.448 -0.237 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246034552 825629349 /nfs/dbraw/zinc/62/93/49/825629349.db2.gz XNRKLGHWKICQJW-CYBMUJFWSA-N 3 1 284.448 -0.237 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)CN1 ZINC001246083670 825633948 /nfs/dbraw/zinc/63/39/48/825633948.db2.gz VSADDCYWEQWPHQ-NEPJUHHUSA-N 2 1 255.362 -0.036 20 0 CBADMP FC1(F)CCNC[C@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246089699 825634357 /nfs/dbraw/zinc/63/43/57/825634357.db2.gz RYHVRGVYQKGHBU-QWRGUYRKSA-N 2 1 274.359 -0.085 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](C)[NH2+]C2)CN1 ZINC001246094589 825634380 /nfs/dbraw/zinc/63/43/80/825634380.db2.gz ISBJBMBXWNZQLU-WHOHXGKFSA-N 2 1 255.362 -0.132 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCNCC2)CN1 ZINC001246089772 825634843 /nfs/dbraw/zinc/63/48/43/825634843.db2.gz SNNRDOSEDKRQJG-STQMWFEESA-N 2 1 284.404 -0.835 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@H]2C)CN1 ZINC001246108533 825635945 /nfs/dbraw/zinc/63/59/45/825635945.db2.gz BVXTVCOOYSWQIR-RHYQMDGZSA-N 2 1 255.362 -0.275 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+][C@@H]2C)CN1 ZINC001246111958 825636111 /nfs/dbraw/zinc/63/61/11/825636111.db2.gz PSZAAHPPQSATQE-NOOOWODRSA-N 2 1 255.362 -0.132 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[NH2+]C2)CN1 ZINC001246115905 825637544 /nfs/dbraw/zinc/63/75/44/825637544.db2.gz CUHHPOLVHKOHMP-TUAOUCFPSA-N 2 1 255.362 -0.131 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[NH2+]C2)CN1 ZINC001246115984 825637935 /nfs/dbraw/zinc/63/79/35/825637935.db2.gz CUHHPOLVHKOHMP-WOPDTQHZSA-N 2 1 255.362 -0.131 20 0 CBADMP C1[NH2+]CC12C[C@@H](N[C@@]13CCC[C@@H]1[NH2+]CC3)CCN2 ZINC001246134797 825638602 /nfs/dbraw/zinc/63/86/02/825638602.db2.gz OFJBHJWAUPKDAS-SGMGOOAPSA-N 2 1 250.390 -0.045 20 0 CBADMP C1[NH2+]CC12C[C@H](N[C@@]13CCC[C@@H]1[NH2+]CC3)CCN2 ZINC001246134796 825639109 /nfs/dbraw/zinc/63/91/09/825639109.db2.gz OFJBHJWAUPKDAS-MBNYWOFBSA-N 2 1 250.390 -0.045 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2COCCC23C[NH2+]C3)CN1 ZINC001246137644 825639488 /nfs/dbraw/zinc/63/94/88/825639488.db2.gz JRRAVXKOKOQQQF-GRYCIOLGSA-N 2 1 283.372 -0.752 20 0 CBADMP C1[NH2+]CC12C[C@H](N[C@@H]1COCCC13C[NH2+]C3)CCN2 ZINC001246138447 825640592 /nfs/dbraw/zinc/64/05/92/825640592.db2.gz MLVMEAUSOYLFFR-VXGBXAGGSA-N 2 1 266.389 -0.952 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CN1 ZINC001246149918 825642069 /nfs/dbraw/zinc/64/20/69/825642069.db2.gz QYQVYLUWLWJZAV-JYKNGBAOSA-N 2 1 297.399 -0.506 20 0 CBADMP COC(=O)[C@@H]([NH3+])Cc1cncn1[C@@H]1CCC[NH2+]C1 ZINC001246153327 825642358 /nfs/dbraw/zinc/64/23/58/825642358.db2.gz QHJUSUSQFMUOLP-KOLCDFICSA-N 2 1 252.318 -0.150 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1 ZINC001246155948 825643579 /nfs/dbraw/zinc/64/35/79/825643579.db2.gz HPYWXBLETLFCBI-IIRVCBMXSA-N 2 1 253.346 -0.238 20 0 CBADMP F[C@]1(CN[C@H]2CCNC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246180150 825645773 /nfs/dbraw/zinc/64/57/73/825645773.db2.gz PZQIJEBNDSWYIC-NWDGAFQWSA-N 2 1 256.369 -0.238 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CN1 ZINC001246183982 825647200 /nfs/dbraw/zinc/64/72/00/825647200.db2.gz YDEZPKHIRCLZLA-TUAOUCFPSA-N 2 1 255.362 -0.179 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CN1 ZINC001246183982 825647203 /nfs/dbraw/zinc/64/72/03/825647203.db2.gz YDEZPKHIRCLZLA-TUAOUCFPSA-N 2 1 255.362 -0.179 20 0 CBADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246201396 825649914 /nfs/dbraw/zinc/64/99/14/825649914.db2.gz PFWVOVMJAJAZPQ-YNEHKIRRSA-N 3 1 296.415 -0.789 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246212410 825650800 /nfs/dbraw/zinc/65/08/00/825650800.db2.gz LYXYXCNDCFJPQG-AXFHLTTASA-N 3 1 285.392 -0.479 20 0 CBADMP OCC[NH+]1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246231957 825654490 /nfs/dbraw/zinc/65/44/90/825654490.db2.gz VPUOFNVWGOUDAQ-CYBMUJFWSA-N 3 1 268.405 -0.873 20 0 CBADMP OCC[NH+]1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246231958 825654717 /nfs/dbraw/zinc/65/47/17/825654717.db2.gz VPUOFNVWGOUDAQ-ZDUSSCGKSA-N 3 1 268.405 -0.873 20 0 CBADMP Cc1nc(CC[NH3+])nn1[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246245874 825655010 /nfs/dbraw/zinc/65/50/10/825655010.db2.gz UFTUYBKFEGBZBF-SNVBAGLBSA-N 2 1 250.350 -0.646 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CCC[N@@H+](C)CC2)CN1 ZINC001246238071 825655732 /nfs/dbraw/zinc/65/57/32/825655732.db2.gz CZTCDVUPRJXYEO-KBPBESRZSA-N 2 1 298.431 -0.493 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N(CCC[NH3+])CCC[NH+](C)C)C[NH2+]1 ZINC001246276958 825659576 /nfs/dbraw/zinc/65/95/76/825659576.db2.gz FSFZTTYQUROVEB-STQMWFEESA-N 3 1 286.420 -0.508 20 0 CBADMP Oc1ccc(C[C@H]([NH2+]C2CC[NH2+]CC2)C(O)O)cc1 ZINC001246304820 825661631 /nfs/dbraw/zinc/66/16/31/825661631.db2.gz IIXMXQLBCHEHQD-ZDUSSCGKSA-N 2 1 266.341 -0.044 20 0 CBADMP CS(=O)(=O)C1CCC([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246306770 825663205 /nfs/dbraw/zinc/66/32/05/825663205.db2.gz LMXFUYHMYXPESD-HBIQZDMRSA-N 2 1 276.402 -0.488 20 0 CBADMP COC(=O)CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246312551 825663268 /nfs/dbraw/zinc/66/32/68/825663268.db2.gz SMTFOMABMXRWJZ-ULKQDVFKSA-N 2 1 255.318 -0.852 20 0 CBADMP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001246305649 825663693 /nfs/dbraw/zinc/66/36/93/825663693.db2.gz JKDQWKXZMBASGB-SDDRHHMPSA-N 2 1 256.346 -0.158 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246406669 825671646 /nfs/dbraw/zinc/67/16/46/825671646.db2.gz NNNNBFWFGSKAMZ-GUBZILKMSA-N 2 1 257.334 -0.606 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246406676 825671854 /nfs/dbraw/zinc/67/18/54/825671854.db2.gz NNNNBFWFGSKAMZ-UTLUCORTSA-N 2 1 257.334 -0.606 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246445153 825673513 /nfs/dbraw/zinc/67/35/13/825673513.db2.gz MYIJZGGVKIRXIG-QWRGUYRKSA-N 2 1 253.346 -0.425 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC23CC3)CN1 ZINC001246473775 825676205 /nfs/dbraw/zinc/67/62/05/825676205.db2.gz NIGCFPOOQYCPRN-OUAUKWLOSA-N 2 1 253.346 -0.378 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2F)C[NH2+]1 ZINC001246483378 825676269 /nfs/dbraw/zinc/67/62/69/825676269.db2.gz SYOLDLIJMIOLOS-LSCVPOLPSA-N 2 1 273.352 -0.040 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246514096 825678388 /nfs/dbraw/zinc/67/83/88/825678388.db2.gz YZVMDALLBWVSHD-TUAOUCFPSA-N 3 1 256.394 -0.040 20 0 CBADMP [NH3+]CC[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246528590 825682002 /nfs/dbraw/zinc/68/20/02/825682002.db2.gz AJNOMPVVCHAYPY-NWDGAFQWSA-N 3 1 254.378 -0.870 20 0 CBADMP C[NH2+]C[C@H]1CCCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)C1 ZINC001246547750 825683244 /nfs/dbraw/zinc/68/32/44/825683244.db2.gz FZMHUFVHNGIQRM-UTUOFQBUSA-N 2 1 255.362 -0.179 20 0 CBADMP CO[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1OC ZINC001246553774 825685214 /nfs/dbraw/zinc/68/52/14/825685214.db2.gz UOIBYLXYCORYFC-SDDRHHMPSA-N 2 1 255.362 -0.574 20 0 CBADMP COC(=O)[C@H]1C[C@@H](N2CCC(F)(F)[C@H](C[NH3+])C2)C[NH2+]1 ZINC001246565835 825685510 /nfs/dbraw/zinc/68/55/10/825685510.db2.gz ZSTKCJZFXLNEGP-OPRDCNLKSA-N 2 1 277.315 -0.194 20 0 CBADMP CC(=O)N1CC[C@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246561687 825685638 /nfs/dbraw/zinc/68/56/38/825685638.db2.gz SBMZZRKOOPRETC-STQMWFEESA-N 2 1 255.362 -0.217 20 0 CBADMP CC(=O)N1CC[C@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246561687 825685640 /nfs/dbraw/zinc/68/56/40/825685640.db2.gz SBMZZRKOOPRETC-STQMWFEESA-N 2 1 255.362 -0.217 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CCN1 ZINC001246559036 825685910 /nfs/dbraw/zinc/68/59/10/825685910.db2.gz NPZTYSKSADEVIZ-WISYIIOYSA-N 2 1 271.361 -0.936 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CCN1 ZINC001246559036 825685916 /nfs/dbraw/zinc/68/59/16/825685916.db2.gz NPZTYSKSADEVIZ-WISYIIOYSA-N 2 1 271.361 -0.936 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246565212 825686291 /nfs/dbraw/zinc/68/62/91/825686291.db2.gz YLHLVUOKESFUGK-UKRRQHHQSA-N 2 1 299.415 -0.201 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)CCN1 ZINC001246562520 825686825 /nfs/dbraw/zinc/68/68/25/825686825.db2.gz STAFYXHHUWIFLU-OBJOEFQTSA-N 2 1 285.388 -0.544 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2CC[C@@H](F)[C@@H]([NH3+])CC2)C[NH2+]1 ZINC001246568597 825687469 /nfs/dbraw/zinc/68/74/69/825687469.db2.gz AHRKEUQNISUQHZ-ZRUFSTJUSA-N 2 1 259.325 -0.349 20 0 CBADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCN(C3CC3)C(=O)C2)C[C@H]1O ZINC001246568994 825687606 /nfs/dbraw/zinc/68/76/06/825687606.db2.gz PFVAJTHCYPLBRK-IJLUTSLNSA-N 2 1 253.346 -0.466 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCN[C@@H](C(F)(F)F)C2)C[C@H]1O ZINC001246578636 825688684 /nfs/dbraw/zinc/68/86/84/825688684.db2.gz GWDRFIFFBDSFBG-AXTSPUMRSA-N 2 1 267.295 -0.079 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCN[C@H](C(F)(F)F)C2)C[C@H]1O ZINC001246578640 825689137 /nfs/dbraw/zinc/68/91/37/825689137.db2.gz GWDRFIFFBDSFBG-QEYWKRMJSA-N 2 1 267.295 -0.079 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCCC3(C2)OCCO3)C[C@H]1O ZINC001246579365 825689301 /nfs/dbraw/zinc/68/93/01/825689301.db2.gz IVBRGOJGVBYKQL-SDDRHHMPSA-N 2 1 256.346 -0.077 20 0 CBADMP COC(=O)C1CCC([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246578651 825689658 /nfs/dbraw/zinc/68/96/58/825689658.db2.gz GWODAWRIBKAYHL-ADPBJBESSA-N 2 1 256.346 -0.030 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCN[C@@H](C(F)(F)F)C2)C[C@@H]1O ZINC001246582539 825690507 /nfs/dbraw/zinc/69/05/07/825690507.db2.gz GWDRFIFFBDSFBG-QCLAVDOMSA-N 2 1 267.295 -0.079 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCN3C(=O)CC[C@@H]3C2)C[C@@H]1O ZINC001246583173 825690537 /nfs/dbraw/zinc/69/05/37/825690537.db2.gz ILHKFOFJUJUYTE-YFKTTZPYSA-N 2 1 253.346 -0.609 20 0 CBADMP CCN(CC)C(=O)C[C@@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246586196 825691142 /nfs/dbraw/zinc/69/11/42/825691142.db2.gz RMOLEUWBMQXPBJ-WOPDTQHZSA-N 2 1 257.378 -0.115 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@@H](C[NH3+])CC[C@@H]2C)C[NH2+]1 ZINC001246588938 825692136 /nfs/dbraw/zinc/69/21/36/825692136.db2.gz BRVWOZJQXMVRCC-USZNOCQGSA-N 2 1 255.362 -0.051 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCN3CCOC[C@@H]3C1)CCN2 ZINC001246595642 825692576 /nfs/dbraw/zinc/69/25/76/825692576.db2.gz OYKKWYUVXUJSQB-STQMWFEESA-N 2 1 266.389 -0.903 20 0 CBADMP C[C@]1(CO)CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1O ZINC001246589379 825692883 /nfs/dbraw/zinc/69/28/83/825692883.db2.gz CSSVMCZBHLVMLW-YNEHKIRRSA-N 2 1 269.389 -0.854 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCOC3(CC[NH2+]CC3)C2)CN1 ZINC001246603765 825694179 /nfs/dbraw/zinc/69/41/79/825694179.db2.gz MEYMNQRIZUAABC-OLZOCXBDSA-N 2 1 297.399 -0.266 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCOC3(CC[NH2+]CC3)C2)CN1 ZINC001246603765 825694183 /nfs/dbraw/zinc/69/41/83/825694183.db2.gz MEYMNQRIZUAABC-OLZOCXBDSA-N 2 1 297.399 -0.266 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC[C@@]3(CC[NH2+]3)C2)C[NH2+]1 ZINC001246615978 825695517 /nfs/dbraw/zinc/69/55/17/825695517.db2.gz YZINPPVOVZGPJS-GMXVVIOVSA-N 2 1 253.346 -0.282 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCOC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246609129 825695714 /nfs/dbraw/zinc/69/57/14/825695714.db2.gz ZSUNNYARDOJFAN-NEPJUHHUSA-N 2 1 283.372 -0.656 20 0 CBADMP C1C[C@]2(C[NH2+]1)C[NH2+]CCN2[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246625255 825696732 /nfs/dbraw/zinc/69/67/32/825696732.db2.gz QFELOTOAVPKQLW-CRWXNKLISA-N 3 1 250.390 -0.093 20 0 CBADMP O=C1CC[C@@H]2C[C@@H](N3CC[NH2+]C[C@]34CC[NH2+]C4)CCN12 ZINC001246623654 825697039 /nfs/dbraw/zinc/69/70/39/825697039.db2.gz BEKVFMANBQXHKQ-VNHYZAJKSA-N 2 1 278.400 -0.223 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1 ZINC001246623565 825697281 /nfs/dbraw/zinc/69/72/81/825697281.db2.gz AKGZSALFGSGWLA-XQHKEYJVSA-N 2 1 267.373 -0.179 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246622299 825697396 /nfs/dbraw/zinc/69/73/96/825697396.db2.gz HBLCYTCWMZQACS-ZFWWWQNUSA-N 2 1 296.415 -0.739 20 0 CBADMP C1[NH2+]CC12C[C@H](N1CCNC[C@]3(CCCC[NH2+]3)C1)CCN2 ZINC001246631887 825698400 /nfs/dbraw/zinc/69/84/00/825698400.db2.gz UTLVAMGJLMLGMB-HUUCEWRRSA-N 2 1 293.459 -0.502 20 0 CBADMP C1[NH2+]CC12C[C@H](N1CCNC[C@@]3(CCCC[NH2+]3)C1)CCN2 ZINC001246631884 825698445 /nfs/dbraw/zinc/69/84/45/825698445.db2.gz UTLVAMGJLMLGMB-CABCVRRESA-N 2 1 293.459 -0.502 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@@]3(CC[NH2+]C3)C1)CCN2 ZINC001246629691 825698521 /nfs/dbraw/zinc/69/85/21/825698521.db2.gz HHPOZHQIEWBHLZ-QWHCGFSZSA-N 3 1 250.390 -0.234 20 0 CBADMP [NH3+]CC1(F)CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC001246629836 825698631 /nfs/dbraw/zinc/69/86/31/825698631.db2.gz QBAGYSJIEQYRCR-VIFPVBQESA-N 2 1 250.339 -0.064 20 0 CBADMP c1nnn([C@@H]2CCC[C@@H](N3CC[NH2+]C[C@@]34CC[NH2+]C4)C2)n1 ZINC001246632675 825699490 /nfs/dbraw/zinc/69/94/90/825699490.db2.gz WLPXAFZOXOXIFC-MCIONIFRSA-N 2 1 291.403 -0.206 20 0 CBADMP C1[NH2+]CC12CC[C@@H]([N@H+]1CCN[C@]3(CC[NH2+]C3)C1)C2 ZINC001246641469 825700635 /nfs/dbraw/zinc/70/06/35/825700635.db2.gz IIWRWDBWRBYZEY-OCCSQVGLSA-N 3 1 250.390 -0.234 20 0 CBADMP CC(=O)N1CCC[C@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246646172 825702202 /nfs/dbraw/zinc/70/22/02/825702202.db2.gz WRXJNKCPZPSAED-UONOGXRCSA-N 2 1 266.389 -0.365 20 0 CBADMP CC(=O)N1CCC[C@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246646172 825702205 /nfs/dbraw/zinc/70/22/05/825702205.db2.gz WRXJNKCPZPSAED-UONOGXRCSA-N 2 1 266.389 -0.365 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCOC[C@@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246645373 825702954 /nfs/dbraw/zinc/70/29/54/825702954.db2.gz KOSVQMLBVASUNC-HUUCEWRRSA-N 3 1 294.443 -0.218 20 0 CBADMP C1[NH2+]CC12C[C@H](N1CCOC[C@@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246645373 825702957 /nfs/dbraw/zinc/70/29/57/825702957.db2.gz KOSVQMLBVASUNC-HUUCEWRRSA-N 2 1 294.443 -0.218 20 0 CBADMP CCOC(=O)[C@H]1C[C@@H]2C[N@H+](C3CC[NH2+]CC3)C[C@@H]2N1 ZINC001246659399 825703836 /nfs/dbraw/zinc/70/38/36/825703836.db2.gz DKAINCNKDPMFJM-RTXFEEFZSA-N 2 1 267.373 -0.036 20 0 CBADMP OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246662030 825704107 /nfs/dbraw/zinc/70/41/07/825704107.db2.gz VGTCZIKUTNKBRM-FQUUOJAGSA-N 2 1 281.400 -0.448 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCN2 ZINC001246663958 825705412 /nfs/dbraw/zinc/70/54/12/825705412.db2.gz CZVGFPIHUDYZDI-UPJWGTAASA-N 3 1 250.390 -0.378 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCN2 ZINC001246663958 825705416 /nfs/dbraw/zinc/70/54/16/825705416.db2.gz CZVGFPIHUDYZDI-UPJWGTAASA-N 3 1 250.390 -0.378 20 0 CBADMP C1[NH2+]CC1[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246678946 825706946 /nfs/dbraw/zinc/70/69/46/825706946.db2.gz OSSCIACOTOONED-DGCLKSJQSA-N 3 1 250.390 -0.378 20 0 CBADMP CNC(=O)CN1CCO[C@H]2C[N@H+]([C@H]3CC[NH2+][C@H](C)C3)C[C@H]21 ZINC001246730390 825707330 /nfs/dbraw/zinc/70/73/30/825707330.db2.gz KGBNYCFEIWTTDZ-RQJABVFESA-N 2 1 296.415 -0.742 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+](C)C2CC[NH2+]CC2)CN1 ZINC001246696510 825707591 /nfs/dbraw/zinc/70/75/91/825707591.db2.gz RZKSULXPUDWKRQ-RYUDHWBXSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](C)C2CC[NH2+]CC2)CN1 ZINC001246696510 825707593 /nfs/dbraw/zinc/70/75/93/825707593.db2.gz RZKSULXPUDWKRQ-RYUDHWBXSA-N 2 1 255.362 -0.036 20 0 CBADMP CC(=O)N1CC(=O)NC[C@]12CC[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246760011 825709170 /nfs/dbraw/zinc/70/91/70/825709170.db2.gz NVYFVBZWVUQSOS-ZLDLUXBVSA-N 2 1 294.399 -0.450 20 0 CBADMP CC(=O)N1CC(=O)NC[C@]12CC[N@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246760011 825709172 /nfs/dbraw/zinc/70/91/72/825709172.db2.gz NVYFVBZWVUQSOS-ZLDLUXBVSA-N 2 1 294.399 -0.450 20 0 CBADMP CC(=O)N1CC(=O)NC[C@]12CC[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246760002 825709244 /nfs/dbraw/zinc/70/92/44/825709244.db2.gz NVYFVBZWVUQSOS-KYOSRNDESA-N 2 1 294.399 -0.450 20 0 CBADMP CC(=O)N1CC(=O)NC[C@]12CC[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246760002 825709250 /nfs/dbraw/zinc/70/92/50/825709250.db2.gz NVYFVBZWVUQSOS-KYOSRNDESA-N 2 1 294.399 -0.450 20 0 CBADMP CCN1CCO[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246756779 825709590 /nfs/dbraw/zinc/70/95/90/825709590.db2.gz XRUMTVWPFVAVBN-RRFJBIMHSA-N 2 1 294.443 -0.267 20 0 CBADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246756779 825709594 /nfs/dbraw/zinc/70/95/94/825709594.db2.gz XRUMTVWPFVAVBN-RRFJBIMHSA-N 3 1 294.443 -0.267 20 0 CBADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246756779 825709598 /nfs/dbraw/zinc/70/95/98/825709598.db2.gz XRUMTVWPFVAVBN-RRFJBIMHSA-N 3 1 294.443 -0.267 20 0 CBADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246756779 825709600 /nfs/dbraw/zinc/70/96/00/825709600.db2.gz XRUMTVWPFVAVBN-RRFJBIMHSA-N 3 1 294.443 -0.267 20 0 CBADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246756779 825709605 /nfs/dbraw/zinc/70/96/05/825709605.db2.gz XRUMTVWPFVAVBN-RRFJBIMHSA-N 3 1 294.443 -0.267 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](C[NH3+])C2)CN1 ZINC001246779695 825710519 /nfs/dbraw/zinc/71/05/19/825710519.db2.gz IOJSCPRYMSYADB-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP CC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246786838 825710590 /nfs/dbraw/zinc/71/05/90/825710590.db2.gz ARMRKOXZYYDGGD-QWHCGFSZSA-N 2 1 266.389 -0.319 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@H](N3CCOCC3)C1)CCN2 ZINC001246795831 825712010 /nfs/dbraw/zinc/71/20/10/825712010.db2.gz KKEJWKWFVZASBK-KGLIPLIRSA-N 2 1 280.416 -0.513 20 0 CBADMP CCOC(=O)[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246817314 825714933 /nfs/dbraw/zinc/71/49/33/825714933.db2.gz RDFLQHQBVCYUAW-NEPJUHHUSA-N 2 1 267.373 -0.035 20 0 CBADMP C1[C@@H]2C[C@@H](N3CC[NH2+]CCNCC[NH2+]CC3)C[C@H]12 ZINC001246820608 825716279 /nfs/dbraw/zinc/71/62/79/825716279.db2.gz KEMNNIVLBGEQDH-BTTYYORXSA-N 2 1 252.406 -0.131 20 0 CBADMP C1[NH2+]CC12CC[C@@H](N1CC[NH2+]CCNCC[NH2+]CC1)C2 ZINC001246819709 825716417 /nfs/dbraw/zinc/71/64/17/825716417.db2.gz HUTFILYYQBAYQU-CQSZACIVSA-N 3 1 281.448 -0.787 20 0 CBADMP C1[NH2+]C[C@H]2C[C@@H](N3CC[NH2+]CCNCC[NH2+]CC3)C[C@@H]12 ZINC001246824534 825717547 /nfs/dbraw/zinc/71/75/47/825717547.db2.gz YQVOZGTYUDSVNO-QDMKHBRRSA-N 3 1 281.448 -0.931 20 0 CBADMP C[C@@H]1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CCO1 ZINC001246822894 825718107 /nfs/dbraw/zinc/71/81/07/825718107.db2.gz TVUJURUXNQIBNU-ZIAGYGMSSA-N 2 1 270.421 -0.362 20 0 CBADMP CN(C1C[NH2+]C1)[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246831314 825719551 /nfs/dbraw/zinc/71/95/51/825719551.db2.gz CKIYUIPHKCWHDS-ONGXEEELSA-N 2 1 255.362 -0.038 20 0 CBADMP C[N@@H+](C1CCS(=O)(=O)CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246844171 825720403 /nfs/dbraw/zinc/72/04/03/825720403.db2.gz GNGBGFUZGOXGTG-LBPRGKRZSA-N 2 1 287.429 -0.411 20 0 CBADMP C[N@@H+](CCN1CC[NH+](C)CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246851660 825721040 /nfs/dbraw/zinc/72/10/40/825721040.db2.gz ZNDRJFJJGZQOIL-AWEZNQCLSA-N 3 1 281.448 -0.740 20 0 CBADMP CN1CCN(CC[N@H+](C)[C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246851660 825721044 /nfs/dbraw/zinc/72/10/44/825721044.db2.gz ZNDRJFJJGZQOIL-AWEZNQCLSA-N 2 1 281.448 -0.740 20 0 CBADMP CN1CCN(CC[N@@H+](C)[C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246851660 825721054 /nfs/dbraw/zinc/72/10/54/825721054.db2.gz ZNDRJFJJGZQOIL-AWEZNQCLSA-N 2 1 281.448 -0.740 20 0 CBADMP CC(=O)N1CCC[C@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246858806 825722701 /nfs/dbraw/zinc/72/27/01/825722701.db2.gz IHBXOGPNRJCLBR-WJLOJVBCSA-N 2 1 267.373 -0.097 20 0 CBADMP CC(=O)N1CC[C@@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246858880 825723147 /nfs/dbraw/zinc/72/31/47/825723147.db2.gz IYEOYOCYAMJBDG-DAAZQVBGSA-N 2 1 253.346 -0.487 20 0 CBADMP CCN1CC[C@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1=O ZINC001246859217 825724433 /nfs/dbraw/zinc/72/44/33/825724433.db2.gz KEFXCJPPWLKOQZ-JACPFSORSA-N 2 1 267.373 -0.097 20 0 CBADMP CCN1CC[C@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1=O ZINC001246859217 825724437 /nfs/dbraw/zinc/72/44/37/825724437.db2.gz KEFXCJPPWLKOQZ-JACPFSORSA-N 2 1 267.373 -0.097 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CCN1 ZINC001246862252 825724645 /nfs/dbraw/zinc/72/46/45/825724645.db2.gz QNFPYPGIGSAWGL-SRRSOLGSSA-N 2 1 253.346 -0.297 20 0 CBADMP CC(=O)N1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1C ZINC001246887178 825727382 /nfs/dbraw/zinc/72/73/82/825727382.db2.gz JQYXWCFVVGUOAE-AAEUAGOBSA-N 2 1 266.389 -0.367 20 0 CBADMP CCC[C@H]1CN([C@@H]2C[NH2+][C@@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246903348 825729183 /nfs/dbraw/zinc/72/91/83/825729183.db2.gz PMHZZMZIXOVCSM-SDDRHHMPSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCCO1 ZINC001246912081 825730372 /nfs/dbraw/zinc/73/03/72/825730372.db2.gz QGDDKBWBSXKCHC-RYUDHWBXSA-N 2 1 283.372 -0.656 20 0 CBADMP CC(=O)N(C)[C@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246920224 825731091 /nfs/dbraw/zinc/73/10/91/825731091.db2.gz DCJWEIYOWHVNGN-OLZOCXBDSA-N 2 1 266.389 -0.367 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@@H]3C[NH2+]C[C@H]32)C[NH2+]1 ZINC001246921481 825731785 /nfs/dbraw/zinc/73/17/85/825731785.db2.gz SGLIDYIGMULZJT-MEWQQHAOSA-N 2 1 253.346 -0.426 20 0 CBADMP COC(=O)[C@@H]1CN([C@H]2CCC[N@@H+](C)CC2)C[C@H]1[NH3+] ZINC001246928883 825732448 /nfs/dbraw/zinc/73/24/48/825732448.db2.gz BFSSARMLGSAPFT-QJPTWQEYSA-N 2 1 255.362 -0.097 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CN1 ZINC001246929855 825733166 /nfs/dbraw/zinc/73/31/66/825733166.db2.gz HLGJXIFZKAZSMQ-RNJOBUHISA-N 2 1 267.373 -0.179 20 0 CBADMP COC(=O)[C@H]1C[N@H+](C)CCN1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246945141 825735808 /nfs/dbraw/zinc/73/58/08/825735808.db2.gz JVQYOOVNHHMOKO-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](C)CCN1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246945141 825735814 /nfs/dbraw/zinc/73/58/14/825735814.db2.gz JVQYOOVNHHMOKO-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C)CCN1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246945150 825736102 /nfs/dbraw/zinc/73/61/02/825736102.db2.gz JVQYOOVNHHMOKO-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C)CCN1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246945150 825736107 /nfs/dbraw/zinc/73/61/07/825736107.db2.gz JVQYOOVNHHMOKO-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N(C(C)C)[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC001246957477 825736466 /nfs/dbraw/zinc/73/64/66/825736466.db2.gz ANTVVSZPFVWXJN-UTUOFQBUSA-N 2 1 255.362 -0.038 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[NH2+]1 ZINC001246947917 825736479 /nfs/dbraw/zinc/73/64/79/825736479.db2.gz MVEOYXSBMPJPEY-VXUPGSCNSA-N 2 1 267.373 -0.180 20 0 CBADMP COC(=O)C[C@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246965411 825736868 /nfs/dbraw/zinc/73/68/68/825736868.db2.gz HUVXRXISEUKXQB-NEPJUHHUSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CN1 ZINC001246972388 825736978 /nfs/dbraw/zinc/73/69/78/825736978.db2.gz DQBYMEHLUWVCRZ-YYHQMBLXSA-N 2 1 267.373 -0.051 20 0 CBADMP CCNC(=O)[C@@H]1CCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246979551 825737668 /nfs/dbraw/zinc/73/76/68/825737668.db2.gz ZIERYPZJVFYPGI-RYUDHWBXSA-N 2 1 266.389 -0.319 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@](C)(C[NH3+])C2)CN1 ZINC001246967336 825738281 /nfs/dbraw/zinc/73/82/81/825738281.db2.gz NSXGLLAHICFOEJ-GVXVVHGQSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@](C)(C[NH3+])C2)CN1 ZINC001246967336 825738277 /nfs/dbraw/zinc/73/82/77/825738277.db2.gz NSXGLLAHICFOEJ-GVXVVHGQSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@H]1C[C@H](N(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246985865 825739284 /nfs/dbraw/zinc/73/92/84/825739284.db2.gz LEODHSUPEVRXJT-MELADBBJSA-N 3 1 298.431 -0.495 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N(C)[C@H]2C[NH2+]C[C@@H]2OC)C[NH2+]1 ZINC001246987403 825739619 /nfs/dbraw/zinc/73/96/19/825739619.db2.gz GSDKJWPMBOWCTM-OWTLIXCDSA-N 2 1 285.388 -0.411 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@]3(C1)CNCCO3)CCN2 ZINC001246990643 825739983 /nfs/dbraw/zinc/73/99/83/825739983.db2.gz XAYUKFGOTBRJQB-GXTWGEPZSA-N 2 1 266.389 -0.855 20 0 CBADMP CC(C)(O)C[NH+]1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001247000882 825740114 /nfs/dbraw/zinc/74/01/14/825740114.db2.gz XIEZUXTXWBJLMZ-ZDUSSCGKSA-N 2 1 282.432 -0.531 20 0 CBADMP CC(C)(O)C[NH+]1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001247000873 825741072 /nfs/dbraw/zinc/74/10/72/825741072.db2.gz XIEZUXTXWBJLMZ-CYBMUJFWSA-N 2 1 282.432 -0.531 20 0 CBADMP COC(=O)[C@]1(C)CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001247001854 825741910 /nfs/dbraw/zinc/74/19/10/825741910.db2.gz MBBOISBJLAMGQG-DGCLKSJQSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[NH+]1C[C@@H]2C[NH+](C[C@H](O)CN3CCOCC3)C[C@H]2C1 ZINC001251024465 825765765 /nfs/dbraw/zinc/76/57/65/825765765.db2.gz SVFOKFFNZBOMQJ-RBSFLKMASA-N 2 1 283.416 -0.437 20 0 CBADMP O[C@@H](C[NH2+]CCCc1[nH]cc[nH+]1)CN1CCOCC1 ZINC001251049263 825771835 /nfs/dbraw/zinc/77/18/35/825771835.db2.gz VKGCGMPSXKGXNF-LBPRGKRZSA-N 2 1 268.361 -0.375 20 0 CBADMP OC[C@@H](O)C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001252057858 825818645 /nfs/dbraw/zinc/81/86/45/825818645.db2.gz QBRDZALVNAQHDG-AWEZNQCLSA-N 2 1 294.399 -0.310 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](CC(C)(C)O)CCC1=O ZINC001252356417 825835073 /nfs/dbraw/zinc/83/50/73/825835073.db2.gz LRNLAFHIMQPETI-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP COC(=O)[C@@H](O)C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001252417964 825845517 /nfs/dbraw/zinc/84/55/17/825845517.db2.gz OTQJWOWRVUIPPX-JTQLQIEISA-N 2 1 285.344 -0.350 20 0 CBADMP COC(=O)[C@@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001252419962 825847675 /nfs/dbraw/zinc/84/76/75/825847675.db2.gz FVXKTQBWDGDCMU-ZDUSSCGKSA-N 2 1 285.388 -0.768 20 0 CBADMP COC(=O)[C@@H](O)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001252420236 825848697 /nfs/dbraw/zinc/84/86/97/825848697.db2.gz LJKBIZWQSMGRFT-LBPRGKRZSA-N 2 1 273.377 -0.910 20 0 CBADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)C(=O)OC)CC1 ZINC001252444079 825863000 /nfs/dbraw/zinc/86/30/00/825863000.db2.gz JITHYMBUBIDZQS-LLVKDONJSA-N 2 1 260.334 -0.779 20 0 CBADMP C[N@H+]1CCCN(CC[NH2+]CC2(O)CCOCC2)CC1 ZINC001252974154 825897683 /nfs/dbraw/zinc/89/76/83/825897683.db2.gz RNBGMTCCWVJDIG-UHFFFAOYSA-N 2 1 271.405 -0.245 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[NH2+]CCN1CC2(COC2)C1 ZINC001253210851 825907229 /nfs/dbraw/zinc/90/72/29/825907229.db2.gz PFZMNPHFVXMQOR-ZDUSSCGKSA-N 2 1 271.405 -0.389 20 0 CBADMP CN1CCO[C@@H](C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253405720 825913176 /nfs/dbraw/zinc/91/31/76/825913176.db2.gz LWURSUDMEXOFLT-RYUDHWBXSA-N 2 1 259.394 -0.344 20 0 CBADMP CC(C)(C)OC[C@@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001253473260 825916029 /nfs/dbraw/zinc/91/60/29/825916029.db2.gz DIKFNLCHIYACIU-ZDUSSCGKSA-N 2 1 292.420 -0.571 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCOC2)CC1 ZINC001254365035 825958295 /nfs/dbraw/zinc/95/82/95/825958295.db2.gz DJJCAUQRZVDRTA-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP [NH3+]C[C@H](O)C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256578186 826025231 /nfs/dbraw/zinc/02/52/31/826025231.db2.gz BQEAGKIYZXTKJB-AWEZNQCLSA-N 2 1 264.373 -0.045 20 0 CBADMP C[N@@H+](C[C@@H](O)CO)C1CCC([NH+]2CCOCC2)CC1 ZINC001256691016 826029275 /nfs/dbraw/zinc/02/92/75/826029275.db2.gz LUIJWKGXLNCISH-JXQTWKCFSA-N 2 1 272.389 -0.085 20 0 CBADMP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256682517 826030573 /nfs/dbraw/zinc/03/05/73/826030573.db2.gz KAZAZKIPVOKHED-IYXRBSQSSA-N 3 1 299.415 -0.033 20 0 CBADMP NC[C@@H](O)C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256676605 826030596 /nfs/dbraw/zinc/03/05/96/826030596.db2.gz FOBHFBFGIHPNTK-WXRRBKDZSA-N 2 1 257.378 -0.461 20 0 CBADMP COC(=O)CC[C@H](C)[NH2+]CCC[NH+](CCO)CCO ZINC001258347254 826061854 /nfs/dbraw/zinc/06/18/54/826061854.db2.gz IVRYSEVGTJPXNT-LBPRGKRZSA-N 2 1 276.377 -0.406 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)c1cnn(C)c1 ZINC001261500495 826526620 /nfs/dbraw/zinc/52/66/20/826526620.db2.gz UNDQYRGYWYCQEB-NEPJUHHUSA-N 2 1 265.361 -0.109 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1cnn(C)c1 ZINC001261500495 826526623 /nfs/dbraw/zinc/52/66/23/826526623.db2.gz UNDQYRGYWYCQEB-NEPJUHHUSA-N 2 1 265.361 -0.109 20 0 CBADMP C(N[C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1COCC[NH2+]1 ZINC001261836719 826594844 /nfs/dbraw/zinc/59/48/44/826594844.db2.gz JVAHOQCDSYBCCZ-XUXIUFHCSA-N 2 1 269.389 -0.279 20 0 CBADMP C[N@H+]1CC[C@H]2CN(CC(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC001261853370 826598992 /nfs/dbraw/zinc/59/89/92/826598992.db2.gz FPQPQVUEHNITMG-QWHCGFSZSA-N 2 1 266.389 -0.556 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001262034646 826627076 /nfs/dbraw/zinc/62/70/76/826627076.db2.gz KJVYIAFDEVPPMZ-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001262034647 826627155 /nfs/dbraw/zinc/62/71/55/826627155.db2.gz KJVYIAFDEVPPMZ-SDDRHHMPSA-N 2 1 284.404 -0.362 20 0 CBADMP C[N@@H+](CCCCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC001262063363 826629428 /nfs/dbraw/zinc/62/94/28/826629428.db2.gz XLOYVWRSCGFHKW-HAQNSBGRSA-N 2 1 296.415 -0.170 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001262068805 826631014 /nfs/dbraw/zinc/63/10/14/826631014.db2.gz LPIQZDWOOPLOOG-YNEHKIRRSA-N 2 1 296.415 -0.489 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262073467 826632591 /nfs/dbraw/zinc/63/25/91/826632591.db2.gz SIXDERXRTGXFGT-GRYCIOLGSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001262171847 826648022 /nfs/dbraw/zinc/64/80/22/826648022.db2.gz IWJAPYNGGBVMLW-GFCCVEGCSA-N 2 1 266.389 -0.604 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC001262201883 826661215 /nfs/dbraw/zinc/66/12/15/826661215.db2.gz IUKMWTCLYOBDHD-GMTAPVOTSA-N 2 1 261.391 -0.768 20 0 CBADMP 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 826705576 /nfs/dbraw/zinc/70/55/76/826705576.db2.gz RVFYVEDWFPYHLW-FJJYHAOUSA-N 2 1 294.399 -0.750 20 0 CBADMP C[N@@H+]1CC=C(C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC001262567107 826710155 /nfs/dbraw/zinc/71/01/55/826710155.db2.gz JBXDSSCZHTVRSP-ZIAGYGMSSA-N 2 1 270.373 -0.260 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CCn1cnccc1=O)C1CC1 ZINC001262576326 826711593 /nfs/dbraw/zinc/71/15/93/826711593.db2.gz NKWDCRZMPZOSDO-GFCCVEGCSA-N 2 1 266.345 -0.712 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CCn1cnccc1=O)C1CC1 ZINC001262576326 826711594 /nfs/dbraw/zinc/71/15/94/826711594.db2.gz NKWDCRZMPZOSDO-GFCCVEGCSA-N 2 1 266.345 -0.712 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001263061811 826731269 /nfs/dbraw/zinc/73/12/69/826731269.db2.gz BZPJKAQGEGNZNL-UTUOFQBUSA-N 2 1 252.362 -0.805 20 0 CBADMP CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001263062199 826731459 /nfs/dbraw/zinc/73/14/59/826731459.db2.gz NLOZMBNMQWRVPF-NWDGAFQWSA-N 2 1 254.378 -0.510 20 0 CBADMP [NH3+][C@H](Cc1ccccn1)C(=O)NCCC[NH+]1CCOCC1 ZINC001263092474 826735084 /nfs/dbraw/zinc/73/50/84/826735084.db2.gz UOAGGYGBGIZVDM-CQSZACIVSA-N 2 1 292.383 -0.210 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001263096697 826736398 /nfs/dbraw/zinc/73/63/98/826736398.db2.gz ZFXRVSSRRJKXNT-UHFFFAOYSA-N 2 1 273.377 -0.829 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)CNCC[NH3+])C1 ZINC001263100250 826736674 /nfs/dbraw/zinc/73/66/74/826736674.db2.gz JFEBOYXENMMFMX-LBPRGKRZSA-N 2 1 256.394 -0.371 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[C@@H]1C[NH3+])CN1CC[NH+](C)CC1 ZINC001263103177 826737840 /nfs/dbraw/zinc/73/78/40/826737840.db2.gz RJHSPWYTUAECSI-JHJVBQTASA-N 2 1 268.405 -0.419 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCSCCC[NH3+] ZINC001263103877 826737971 /nfs/dbraw/zinc/73/79/71/826737971.db2.gz PIEPROKFBORMTL-GFCCVEGCSA-N 2 1 288.461 -0.180 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CCN2C)C[N@H+]1C1CC1 ZINC001263103422 826738670 /nfs/dbraw/zinc/73/86/70/826738670.db2.gz YRSNUVMDKNAONG-NTZNESFSSA-N 2 1 266.389 -0.369 20 0 CBADMP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)[C@H]1C ZINC001263107317 826739631 /nfs/dbraw/zinc/73/96/31/826739631.db2.gz TYHFBGUQAIYWJT-CYDGBPFRSA-N 2 1 266.389 -0.417 20 0 CBADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001263107318 826739752 /nfs/dbraw/zinc/73/97/52/826739752.db2.gz TYHFBGUQAIYWJT-RVMXOQNASA-N 2 1 266.389 -0.417 20 0 CBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CNCC[NH3+] ZINC001263116943 826741761 /nfs/dbraw/zinc/74/17/61/826741761.db2.gz MUWOOHPHUSZQSG-UHFFFAOYSA-N 2 1 286.420 -0.649 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC3(C[NH2+]C3)CC2)C1 ZINC001263151741 826744601 /nfs/dbraw/zinc/74/46/01/826744601.db2.gz KJPRSARBTZCFHJ-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC3(C[NH2+]C3)CC2)C1 ZINC001263151741 826744603 /nfs/dbraw/zinc/74/46/03/826744603.db2.gz KJPRSARBTZCFHJ-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP [NH3+]CCNCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001263153419 826745020 /nfs/dbraw/zinc/74/50/20/826745020.db2.gz LZDNTTOSIDFUSB-NEPJUHHUSA-N 2 1 254.378 -0.332 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC001263203043 826752658 /nfs/dbraw/zinc/75/26/58/826752658.db2.gz RQVRKWORDQOWAW-BBBLOLIVSA-N 2 1 257.334 -0.524 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)CNCC[NH3+] ZINC001263231784 826756001 /nfs/dbraw/zinc/75/60/01/826756001.db2.gz QRHZLVWPXQQIPS-GFCCVEGCSA-N 2 1 256.394 -0.277 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NCCNc1ccc(C)c[nH+]1 ZINC001263224746 826756250 /nfs/dbraw/zinc/75/62/50/826756250.db2.gz UYGBNPJANKORPK-JTQLQIEISA-N 2 1 252.318 -0.108 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001263821501 826781149 /nfs/dbraw/zinc/78/11/49/826781149.db2.gz UAQWOGSROHHREA-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCOCCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001263821501 826781158 /nfs/dbraw/zinc/78/11/58/826781158.db2.gz UAQWOGSROHHREA-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCOCCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001263821501 826781166 /nfs/dbraw/zinc/78/11/66/826781166.db2.gz UAQWOGSROHHREA-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001263821504 826781337 /nfs/dbraw/zinc/78/13/37/826781337.db2.gz UAQWOGSROHHREA-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCOCCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001263821504 826781344 /nfs/dbraw/zinc/78/13/44/826781344.db2.gz UAQWOGSROHHREA-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCOCCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001263821504 826781350 /nfs/dbraw/zinc/78/13/50/826781350.db2.gz UAQWOGSROHHREA-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP C[C@@H]1CN2CCN1C[C@H]2C(=O)NCc1cncn1C ZINC001263858093 826786193 /nfs/dbraw/zinc/78/61/93/826786193.db2.gz VXJQUJMKHFSKJW-PWSUYJOCSA-N 2 1 263.345 -0.575 20 0 CBADMP CN(CCOCC[N@@H+](C)CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001264111709 826799113 /nfs/dbraw/zinc/79/91/13/826799113.db2.gz VSXSZKAWTREMIE-UHFFFAOYSA-N 2 1 299.415 -0.519 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001264970398 826822164 /nfs/dbraw/zinc/82/21/64/826822164.db2.gz MBMQJGNZFMLFBE-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001264970398 826822176 /nfs/dbraw/zinc/82/21/76/826822176.db2.gz MBMQJGNZFMLFBE-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001264970398 826822187 /nfs/dbraw/zinc/82/21/87/826822187.db2.gz MBMQJGNZFMLFBE-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CC(N)=O ZINC001264986300 826830511 /nfs/dbraw/zinc/83/05/11/826830511.db2.gz GGPKNQRVRZLROF-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](C)CC(N)=O ZINC001264986300 826830527 /nfs/dbraw/zinc/83/05/27/826830527.db2.gz GGPKNQRVRZLROF-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](C)CC(N)=O ZINC001264986300 826830538 /nfs/dbraw/zinc/83/05/38/826830538.db2.gz GGPKNQRVRZLROF-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)CCC(=O)NCCC[N@@H+](C)CC(=O)N1CCCC1 ZINC001265030762 826839551 /nfs/dbraw/zinc/83/95/51/826839551.db2.gz ICOYRPQMZQCROO-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001265276246 826871691 /nfs/dbraw/zinc/87/16/91/826871691.db2.gz AXVHNZBZGNJADM-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001265276246 826871703 /nfs/dbraw/zinc/87/17/03/826871703.db2.gz AXVHNZBZGNJADM-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265276246 826871714 /nfs/dbraw/zinc/87/17/14/826871714.db2.gz AXVHNZBZGNJADM-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265276246 826871730 /nfs/dbraw/zinc/87/17/30/826871730.db2.gz AXVHNZBZGNJADM-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCOCCO)C1)[NH+](C)C ZINC001265312049 826878350 /nfs/dbraw/zinc/87/83/50/826878350.db2.gz GGPWXMSCGPJFCX-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001265349564 826883814 /nfs/dbraw/zinc/88/38/14/826883814.db2.gz FLPYMTRAQNMQEZ-VXGBXAGGSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001265349564 826883832 /nfs/dbraw/zinc/88/38/32/826883832.db2.gz FLPYMTRAQNMQEZ-VXGBXAGGSA-N 2 1 255.362 -0.179 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCO)C1CC1 ZINC001265350753 826884501 /nfs/dbraw/zinc/88/45/01/826884501.db2.gz XCQKCPXNNGHJLS-NWDGAFQWSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCO)C2)C1 ZINC001265507052 826899894 /nfs/dbraw/zinc/89/98/94/826899894.db2.gz DQPVIVXZUBNKHQ-SRVKXCTJSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001265569844 826905536 /nfs/dbraw/zinc/90/55/36/826905536.db2.gz HDAAPGUUDWQMEU-UPJWGTAASA-N 2 1 285.388 -0.816 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001265922804 826938029 /nfs/dbraw/zinc/93/80/29/826938029.db2.gz HWFZNPUVIXEUAK-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001265922804 826938037 /nfs/dbraw/zinc/93/80/37/826938037.db2.gz HWFZNPUVIXEUAK-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001265922804 826938042 /nfs/dbraw/zinc/93/80/42/826938042.db2.gz HWFZNPUVIXEUAK-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH+](C)CCC(=O)NCCC[C@H]1CCC[N@H+]1CC(N)=O ZINC001266231252 826961310 /nfs/dbraw/zinc/96/13/10/826961310.db2.gz DLNXVHVUWNQGNA-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266339657 826985703 /nfs/dbraw/zinc/98/57/03/826985703.db2.gz VDRNWOAAGZRYBJ-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCOC)C2)C1 ZINC001266358189 826990174 /nfs/dbraw/zinc/99/01/74/826990174.db2.gz AKLZAIIVWYSKOW-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCOC)C2)C1 ZINC001266358189 826990171 /nfs/dbraw/zinc/99/01/71/826990171.db2.gz AKLZAIIVWYSKOW-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCOC)C2)C1 ZINC001266358189 826990172 /nfs/dbraw/zinc/99/01/72/826990172.db2.gz AKLZAIIVWYSKOW-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCCOC)C2)C1 ZINC001266358189 826990173 /nfs/dbraw/zinc/99/01/73/826990173.db2.gz AKLZAIIVWYSKOW-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001266401864 826995613 /nfs/dbraw/zinc/99/56/13/826995613.db2.gz UGZYTTYKSVDLOX-STQMWFEESA-N 2 1 285.388 -0.552 20 0 CBADMP COCC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001266401864 826995620 /nfs/dbraw/zinc/99/56/20/826995620.db2.gz UGZYTTYKSVDLOX-STQMWFEESA-N 2 1 285.388 -0.552 20 0 CBADMP CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@@H](C)O ZINC001266427888 826998174 /nfs/dbraw/zinc/99/81/74/826998174.db2.gz DTVVEMIXNJZUGE-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCO)C1)[NH+](C)C ZINC001266534169 827017343 /nfs/dbraw/zinc/01/73/43/827017343.db2.gz WIUFCGFWSLBTSN-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP COCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266565777 827023711 /nfs/dbraw/zinc/02/37/11/827023711.db2.gz NQCVJXPBIQRNDI-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]CCCO ZINC001266949892 827094579 /nfs/dbraw/zinc/09/45/79/827094579.db2.gz RRSANQRJYKEHGI-SNVBAGLBSA-N 2 1 284.360 -0.174 20 0 CBADMP CNC(=O)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266979253 827101812 /nfs/dbraw/zinc/10/18/12/827101812.db2.gz AWTBBKWHKSBXSI-NSHDSACASA-N 2 1 270.377 -0.878 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CCCO ZINC001266984507 827102830 /nfs/dbraw/zinc/10/28/30/827102830.db2.gz BYFJRXJGIJRNTL-NEPJUHHUSA-N 2 1 257.378 -0.195 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]CCO)C2)C1 ZINC001267065395 827111712 /nfs/dbraw/zinc/11/17/12/827111712.db2.gz TXYPYZLEXSTGTB-QWHCGFSZSA-N 2 1 269.389 -0.241 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC(=O)NC ZINC001267116781 827114030 /nfs/dbraw/zinc/11/40/30/827114030.db2.gz HKMIUAFXZANJQH-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CCO ZINC001267140316 827116982 /nfs/dbraw/zinc/11/69/82/827116982.db2.gz OEVNRQZLCNHXIM-NEPJUHHUSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@H](O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267225943 827134068 /nfs/dbraw/zinc/13/40/68/827134068.db2.gz IOHNYXQMYTXBMB-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267225943 827134073 /nfs/dbraw/zinc/13/40/73/827134073.db2.gz IOHNYXQMYTXBMB-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267225943 827134064 /nfs/dbraw/zinc/13/40/64/827134064.db2.gz IOHNYXQMYTXBMB-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@H](C)O ZINC001267238985 827134781 /nfs/dbraw/zinc/13/47/81/827134781.db2.gz WLNWCSHTDVEJHG-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C[C@H](C)O ZINC001267238985 827134784 /nfs/dbraw/zinc/13/47/84/827134784.db2.gz WLNWCSHTDVEJHG-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C[C@H](C)O ZINC001267238985 827134786 /nfs/dbraw/zinc/13/47/86/827134786.db2.gz WLNWCSHTDVEJHG-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001267275214 827141389 /nfs/dbraw/zinc/14/13/89/827141389.db2.gz UZCPANLFJXKKBB-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(N)=O ZINC001267372491 827160678 /nfs/dbraw/zinc/16/06/78/827160678.db2.gz RZRNEUDLPVEYPR-NSHDSACASA-N 2 1 270.377 -0.608 20 0 CBADMP CN(CC[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267391544 827164765 /nfs/dbraw/zinc/16/47/65/827164765.db2.gz LIBJEJKAIJBUBT-ZDUSSCGKSA-N 2 1 294.403 -0.153 20 0 CBADMP CN(CC[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001267391544 827164774 /nfs/dbraw/zinc/16/47/74/827164774.db2.gz LIBJEJKAIJBUBT-ZDUSSCGKSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001267451556 827172293 /nfs/dbraw/zinc/17/22/93/827172293.db2.gz IHKGMSHRMXRIIU-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CN(CC[NH2+]CCOCCO)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001267463574 827175645 /nfs/dbraw/zinc/17/56/45/827175645.db2.gz WPNMRMXBJDAHEL-HNNXBMFYSA-N 2 1 299.415 -0.471 20 0 CBADMP C[NH+](C)CCC(=O)NC1C[NH+](CCCO[C@@H]2CCOC2)C1 ZINC001267659030 827192586 /nfs/dbraw/zinc/19/25/86/827192586.db2.gz OEQQIPPNRFUESF-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](C)CCC(=O)NC1C[NH+](CCCO[C@H]2CCOC2)C1 ZINC001267659028 827192647 /nfs/dbraw/zinc/19/26/47/827192647.db2.gz OEQQIPPNRFUESF-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]CC(N)=O ZINC001267828791 827227656 /nfs/dbraw/zinc/22/76/56/827227656.db2.gz GYTZHMNQSUVRFB-JTQLQIEISA-N 2 1 267.333 -0.839 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@](C)(C[NH2+]CCO)C2CC2)C1 ZINC001267864461 827230309 /nfs/dbraw/zinc/23/03/09/827230309.db2.gz DVQMJUUUZNUIDZ-ZFWWWQNUSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@](C)(C[NH2+]CCO)C2CC2)C1 ZINC001267864461 827230314 /nfs/dbraw/zinc/23/03/14/827230314.db2.gz DVQMJUUUZNUIDZ-ZFWWWQNUSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)CCO)C1 ZINC001268250290 827271333 /nfs/dbraw/zinc/27/13/33/827271333.db2.gz AMKYENVZMWPCBQ-LBPRGKRZSA-N 2 1 257.378 -0.289 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)CCO)C1 ZINC001268250290 827271341 /nfs/dbraw/zinc/27/13/41/827271341.db2.gz AMKYENVZMWPCBQ-LBPRGKRZSA-N 2 1 257.378 -0.289 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)CCO)C1 ZINC001268250290 827271349 /nfs/dbraw/zinc/27/13/49/827271349.db2.gz AMKYENVZMWPCBQ-LBPRGKRZSA-N 2 1 257.378 -0.289 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCC2CC2)C1 ZINC001268296325 827281374 /nfs/dbraw/zinc/28/13/74/827281374.db2.gz GOAUALWKQGZGGB-QWHCGFSZSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCC2CC2)C1 ZINC001268296325 827281379 /nfs/dbraw/zinc/28/13/79/827281379.db2.gz GOAUALWKQGZGGB-QWHCGFSZSA-N 2 1 285.388 -0.816 20 0 CBADMP COCCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268298277 827282778 /nfs/dbraw/zinc/28/27/78/827282778.db2.gz MONHWNZAHUSMTK-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]CCF ZINC001268313308 827294130 /nfs/dbraw/zinc/29/41/30/827294130.db2.gz CBQCVVCUGPIQQS-JTQLQIEISA-N 2 1 258.297 -0.772 20 0 CBADMP CC(C)[NH2+]C[C@@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268322153 827299643 /nfs/dbraw/zinc/29/96/43/827299643.db2.gz PNKZRUFXISQBOH-VXGBXAGGSA-N 2 1 257.378 -0.197 20 0 CBADMP C[C@@H](CC[NH2+]CCn1cncn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001268350307 827312222 /nfs/dbraw/zinc/31/22/22/827312222.db2.gz OOAHMOPHZRBGQZ-STQMWFEESA-N 2 1 294.403 -0.143 20 0 CBADMP CCN(C)C(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268423211 827325468 /nfs/dbraw/zinc/32/54/68/827325468.db2.gz KNPAZWRVRZSETP-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268543686 827360508 /nfs/dbraw/zinc/36/05/08/827360508.db2.gz XRIZNTZJKYKTDC-SNSPGFKJSA-N 2 1 299.415 -0.404 20 0 CBADMP CNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268557076 827364354 /nfs/dbraw/zinc/36/43/54/827364354.db2.gz SMSQJGCQNTVEHE-RXNFCKPNSA-N 2 1 282.388 -0.521 20 0 CBADMP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001268584264 827371983 /nfs/dbraw/zinc/37/19/83/827371983.db2.gz XXVPNBFHXFDAEZ-PMSGKRBCSA-N 2 1 296.415 -0.148 20 0 CBADMP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001268625276 827383484 /nfs/dbraw/zinc/38/34/84/827383484.db2.gz MEBOSDAOHXALJR-AAAGKOELSA-N 2 1 296.415 -0.323 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]CCOC)C1 ZINC001268674962 827400331 /nfs/dbraw/zinc/40/03/31/827400331.db2.gz PEGIQIFWBJZSQE-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]CCOC)C1 ZINC001268674962 827400333 /nfs/dbraw/zinc/40/03/33/827400333.db2.gz PEGIQIFWBJZSQE-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001268758133 827418338 /nfs/dbraw/zinc/41/83/38/827418338.db2.gz BCQCIBFUMDXCKQ-SNVBAGLBSA-N 2 1 258.366 -0.752 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001268758133 827418343 /nfs/dbraw/zinc/41/83/43/827418343.db2.gz BCQCIBFUMDXCKQ-SNVBAGLBSA-N 2 1 258.366 -0.752 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC(N)=O ZINC001268758133 827418346 /nfs/dbraw/zinc/41/83/46/827418346.db2.gz BCQCIBFUMDXCKQ-SNVBAGLBSA-N 2 1 258.366 -0.752 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)CC(N)=O ZINC001268758133 827418353 /nfs/dbraw/zinc/41/83/53/827418353.db2.gz BCQCIBFUMDXCKQ-SNVBAGLBSA-N 2 1 258.366 -0.752 20 0 CBADMP CN(CCC[NH2+]CCO)C(=O)[C@H]1CCCC[N@H+]1C ZINC001268800877 827423468 /nfs/dbraw/zinc/42/34/68/827423468.db2.gz AQFXKPCTDBNTRC-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001269332291 827494501 /nfs/dbraw/zinc/49/45/01/827494501.db2.gz PSDNFKVCLYPBOT-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CC[N@@H+]2CCCO)C1 ZINC001269332291 827494506 /nfs/dbraw/zinc/49/45/06/827494506.db2.gz PSDNFKVCLYPBOT-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CC[N@H+]2CCCO)C1 ZINC001269332291 827494510 /nfs/dbraw/zinc/49/45/10/827494510.db2.gz PSDNFKVCLYPBOT-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CCO ZINC001269472130 827513086 /nfs/dbraw/zinc/51/30/86/827513086.db2.gz VSULKBZFCOMGKC-VXGBXAGGSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001269489299 827513969 /nfs/dbraw/zinc/51/39/69/827513969.db2.gz MFHZGDZFDQGEFF-NWDGAFQWSA-N 2 1 269.389 -0.053 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001270174661 827551526 /nfs/dbraw/zinc/55/15/26/827551526.db2.gz PGEQWDLKJUCDDR-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[N@@H+](C)CC(=O)N1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001271084167 827621061 /nfs/dbraw/zinc/62/10/61/827621061.db2.gz JSCXFOQTUAEQQD-OKILXGFUSA-N 2 1 298.431 -0.589 20 0 CBADMP C[C@@H](C[NH2+]CCO)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001271100270 827622242 /nfs/dbraw/zinc/62/22/42/827622242.db2.gz GUJFDMFEXPQEBR-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](C[NH2+]CCO)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001271172134 827671702 /nfs/dbraw/zinc/67/17/02/827671702.db2.gz WZFAZVGVVZXJFI-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP CCN1CC(O)(CNC(=O)CN2CCC(C)CC2)C1 ZINC001271374308 827696697 /nfs/dbraw/zinc/69/66/97/827696697.db2.gz IYRKUZTVGWAYET-UHFFFAOYSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCC2(CN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1 ZINC001271800770 827727155 /nfs/dbraw/zinc/72/71/55/827727155.db2.gz AAHUJONAURZOJG-UHFFFAOYSA-N 2 1 267.373 -0.393 20 0 CBADMP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001271943231 827738328 /nfs/dbraw/zinc/73/83/28/827738328.db2.gz WMNPIEUBODKEDM-HZSPNIEDSA-N 2 1 279.384 -0.130 20 0 CBADMP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001271943231 827738331 /nfs/dbraw/zinc/73/83/31/827738331.db2.gz WMNPIEUBODKEDM-HZSPNIEDSA-N 2 1 279.384 -0.130 20 0 CBADMP CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001271996212 827748458 /nfs/dbraw/zinc/74/84/58/827748458.db2.gz JOBQJUVZWZOJBS-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001271996212 827748463 /nfs/dbraw/zinc/74/84/63/827748463.db2.gz JOBQJUVZWZOJBS-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271996212 827748464 /nfs/dbraw/zinc/74/84/64/827748464.db2.gz JOBQJUVZWZOJBS-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001272196841 827769608 /nfs/dbraw/zinc/76/96/08/827769608.db2.gz PUBBFGMUASDPSO-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+]1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001272273158 827776397 /nfs/dbraw/zinc/77/63/97/827776397.db2.gz HYPPHMTZZPDEFD-RYUDHWBXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001272273158 827776402 /nfs/dbraw/zinc/77/64/02/827776402.db2.gz HYPPHMTZZPDEFD-RYUDHWBXSA-N 2 1 267.373 -0.394 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]CC1CC1 ZINC001272479442 827804547 /nfs/dbraw/zinc/80/45/47/827804547.db2.gz JYKVTWQVRLEHEQ-GFCCVEGCSA-N 2 1 266.345 -0.332 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCF ZINC001272496345 827807645 /nfs/dbraw/zinc/80/76/45/827807645.db2.gz NOZPUPOKZXWFFA-MNOVXSKESA-N 2 1 261.341 -0.493 20 0 CBADMP CCC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001272558751 827820404 /nfs/dbraw/zinc/82/04/04/827820404.db2.gz BFNCCDFCDPNMDX-VXGBXAGGSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001272688013 827834307 /nfs/dbraw/zinc/83/43/07/827834307.db2.gz FDAKPBGFCFDFIQ-AAEUAGOBSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001272689155 827834606 /nfs/dbraw/zinc/83/46/06/827834606.db2.gz YCFIXOLRRNDOCH-GHMZBOCLSA-N 2 1 295.391 -0.711 20 0 CBADMP CN1CC2(C[NH+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001272889875 827847784 /nfs/dbraw/zinc/84/77/84/827847784.db2.gz UVOPHZIGZPUJTF-UHFFFAOYSA-N 2 1 267.373 -0.129 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001273086056 827863072 /nfs/dbraw/zinc/86/30/72/827863072.db2.gz ZNGSIHGBBNWUGG-RWMBFGLXSA-N 2 1 295.383 -0.214 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001273086056 827863086 /nfs/dbraw/zinc/86/30/86/827863086.db2.gz ZNGSIHGBBNWUGG-RWMBFGLXSA-N 2 1 295.383 -0.214 20 0 CBADMP COC(=O)[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001273086056 827863100 /nfs/dbraw/zinc/86/31/00/827863100.db2.gz ZNGSIHGBBNWUGG-RWMBFGLXSA-N 2 1 295.383 -0.214 20 0 CBADMP COC(=O)[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001273086056 827863111 /nfs/dbraw/zinc/86/31/11/827863111.db2.gz ZNGSIHGBBNWUGG-RWMBFGLXSA-N 2 1 295.383 -0.214 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001273201321 827872690 /nfs/dbraw/zinc/87/26/90/827872690.db2.gz LKCHQUMPKFZIIT-NEPJUHHUSA-N 2 1 269.389 -0.053 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC1CC1 ZINC001273912203 827940705 /nfs/dbraw/zinc/94/07/05/827940705.db2.gz WYCRGVALIKPUGW-IBUXWKBASA-N 2 1 294.399 -0.379 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC1CC1 ZINC001273912207 827940778 /nfs/dbraw/zinc/94/07/78/827940778.db2.gz WYCRGVALIKPUGW-YWVDXFKGSA-N 2 1 294.399 -0.379 20 0 CBADMP CC(=O)NCC[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273999066 827951790 /nfs/dbraw/zinc/95/17/90/827951790.db2.gz HDMQXIHIIBPDOK-HNNXBMFYSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274047320 827956523 /nfs/dbraw/zinc/95/65/23/827956523.db2.gz OBXIGXXZAVSUOD-GXTWGEPZSA-N 2 1 269.389 -0.004 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]C[C@H](C)O ZINC001274611868 828012528 /nfs/dbraw/zinc/01/25/28/828012528.db2.gz XCNRJWUTTSXNRD-FYJFLYSWSA-N 2 1 257.378 -0.031 20 0 CBADMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@H](O)CO ZINC001274565755 828001729 /nfs/dbraw/zinc/00/17/29/828001729.db2.gz UEUCIBLXLNDMGV-ZFWWWQNUSA-N 2 1 299.415 -0.642 20 0 CBADMP CNC(=O)C[NH2+]C/C=C\CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001274609304 828011758 /nfs/dbraw/zinc/01/17/58/828011758.db2.gz JYUSMTFFKOYUGJ-SIDSAAMKSA-N 2 1 296.415 -0.133 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CCO ZINC001274741392 828026638 /nfs/dbraw/zinc/02/66/38/828026638.db2.gz OEVNRQZLCNHXIM-NWDGAFQWSA-N 2 1 257.378 -0.053 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001275039298 828050786 /nfs/dbraw/zinc/05/07/86/828050786.db2.gz RCHOBWICPSSDNM-NXEZZACHSA-N 2 1 258.366 -0.705 20 0 CBADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C)CC3)[C@H]2C1 ZINC001275044957 828052541 /nfs/dbraw/zinc/05/25/41/828052541.db2.gz IMIFYDAKVMRJFX-STQMWFEESA-N 2 1 297.399 -0.251 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](C[C@@H]3CCC(=O)N3)C[C@@H]21 ZINC001275188978 828063615 /nfs/dbraw/zinc/06/36/15/828063615.db2.gz RMEXECYRPCYHDS-IHRRRGAJSA-N 2 1 296.415 -0.788 20 0 CBADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC(=O)N1 ZINC001275187255 828065353 /nfs/dbraw/zinc/06/53/53/828065353.db2.gz HGPLYBSHVOLBRE-MCIONIFRSA-N 2 1 280.416 -0.025 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001275212695 828068862 /nfs/dbraw/zinc/06/88/62/828068862.db2.gz VSCKYYHFDAREPG-KGLIPLIRSA-N 2 1 279.388 -0.144 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001275212695 828068867 /nfs/dbraw/zinc/06/88/67/828068867.db2.gz VSCKYYHFDAREPG-KGLIPLIRSA-N 2 1 279.388 -0.144 20 0 CBADMP C[NH+](C)CCN1CC2(C1)C[NH+](CC1C(=O)N=CNC1=O)C2 ZINC001275273245 828074811 /nfs/dbraw/zinc/07/48/11/828074811.db2.gz LQIQECJLYUCYSO-UHFFFAOYSA-N 2 1 293.371 -0.433 20 0 CBADMP CN(CCC[NH2+]C[C@@H]1CCOC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001275930755 828124414 /nfs/dbraw/zinc/12/44/14/828124414.db2.gz QUPLXDJSTPIMLR-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CCC[NH2+]C[C@@H]1CCOC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001275930755 828124417 /nfs/dbraw/zinc/12/44/17/828124417.db2.gz QUPLXDJSTPIMLR-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CCCC[C@H](C[NH2+]CCO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001276249674 828139220 /nfs/dbraw/zinc/13/92/20/828139220.db2.gz GXCCFOHIVJLUJH-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP CCCC[C@H](C[NH2+]CCO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001276249674 828139215 /nfs/dbraw/zinc/13/92/15/828139215.db2.gz GXCCFOHIVJLUJH-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(C)c(=O)n(C)c1=O ZINC001276321324 828140962 /nfs/dbraw/zinc/14/09/62/828140962.db2.gz FVOGPFHJYUXKEN-YHWZYXNKSA-N 2 1 292.383 -0.201 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1C[NH+](CCO)C1 ZINC001276433736 828145968 /nfs/dbraw/zinc/14/59/68/828145968.db2.gz WICLIRPJFHVZHZ-NEPJUHHUSA-N 2 1 269.389 -0.243 20 0 CBADMP COCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001276821112 828162285 /nfs/dbraw/zinc/16/22/85/828162285.db2.gz FTDDDOXIPMATRK-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001276821112 828162287 /nfs/dbraw/zinc/16/22/87/828162287.db2.gz FTDDDOXIPMATRK-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001276821112 828162292 /nfs/dbraw/zinc/16/22/92/828162292.db2.gz FTDDDOXIPMATRK-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001276821112 828162298 /nfs/dbraw/zinc/16/22/98/828162298.db2.gz FTDDDOXIPMATRK-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H](O)CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001277028228 828172703 /nfs/dbraw/zinc/17/27/03/828172703.db2.gz QEXYLSXYCNUDCO-QWHCGFSZSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@H](O)CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001277028228 828172705 /nfs/dbraw/zinc/17/27/05/828172705.db2.gz QEXYLSXYCNUDCO-QWHCGFSZSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@H](O)CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001277028229 828173115 /nfs/dbraw/zinc/17/31/15/828173115.db2.gz QEXYLSXYCNUDCO-STQMWFEESA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@H](O)CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001277028229 828173120 /nfs/dbraw/zinc/17/31/20/828173120.db2.gz QEXYLSXYCNUDCO-STQMWFEESA-N 2 1 299.415 -0.284 20 0 CBADMP COCCCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001277028731 828173322 /nfs/dbraw/zinc/17/33/22/828173322.db2.gz YQSLENUUFWPEBF-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP COCCCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001277028731 828173327 /nfs/dbraw/zinc/17/33/27/828173327.db2.gz YQSLENUUFWPEBF-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@@H+]1CCC2(CN(CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001277631658 828200028 /nfs/dbraw/zinc/20/00/28/828200028.db2.gz JVCXJIWZPWCZRC-UHFFFAOYSA-N 2 1 266.389 -0.602 20 0 CBADMP C[N@H+]1CCC2(CN(CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001277631658 828200034 /nfs/dbraw/zinc/20/00/34/828200034.db2.gz JVCXJIWZPWCZRC-UHFFFAOYSA-N 2 1 266.389 -0.602 20 0 CBADMP CNC(=O)C(C)(C)[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277640303 828201142 /nfs/dbraw/zinc/20/11/42/828201142.db2.gz LIJCTHUCHNPOHV-STQMWFEESA-N 2 1 298.431 -0.542 20 0 CBADMP CNC(=O)C(C)(C)[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277640303 828201148 /nfs/dbraw/zinc/20/11/48/828201148.db2.gz LIJCTHUCHNPOHV-STQMWFEESA-N 2 1 298.431 -0.542 20 0 CBADMP CCOCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277858517 828214238 /nfs/dbraw/zinc/21/42/38/828214238.db2.gz RBHDAQKVBLFXTJ-OKILXGFUSA-N 2 1 271.405 -0.031 20 0 CBADMP COC(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001277864885 828215444 /nfs/dbraw/zinc/21/54/44/828215444.db2.gz NRRFEAJBQRWZKT-VXGBXAGGSA-N 2 1 295.383 -0.308 20 0 CBADMP C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001277960073 828223163 /nfs/dbraw/zinc/22/31/63/828223163.db2.gz YXRMUNKYJCAQOP-IJLUTSLNSA-N 2 1 267.373 -0.491 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC(C)(C)CO)C[C@@H]21 ZINC001277968556 828224308 /nfs/dbraw/zinc/22/43/08/828224308.db2.gz VXYLTQHHFQEOHF-KBPBESRZSA-N 2 1 285.432 -0.049 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001278013117 828230220 /nfs/dbraw/zinc/23/02/20/828230220.db2.gz KKSGGNFDQVGIPI-NWDGAFQWSA-N 2 1 254.378 -0.700 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001278032192 828232626 /nfs/dbraw/zinc/23/26/26/828232626.db2.gz JCVIKSKOGLDYQW-AVGNSLFASA-N 2 1 268.405 -0.040 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001278032085 828233187 /nfs/dbraw/zinc/23/31/87/828233187.db2.gz GPDCBENZOJUWDC-LLVKDONJSA-N 2 1 254.378 -0.571 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001278032579 828233248 /nfs/dbraw/zinc/23/32/48/828233248.db2.gz SWIUAYYCUUFJRS-XQQFMLRXSA-N 2 1 268.405 -0.040 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001278032579 828233254 /nfs/dbraw/zinc/23/32/54/828233254.db2.gz SWIUAYYCUUFJRS-XQQFMLRXSA-N 2 1 268.405 -0.040 20 0 CBADMP CN1CCO[C@H]2C[N@@H+](CCCN3CC[NH+](C)CC3)C[C@@H]21 ZINC001278116780 828249584 /nfs/dbraw/zinc/24/95/84/828249584.db2.gz HGUJAQJWAWSACU-GJZGRUSLSA-N 2 1 282.432 -0.361 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CCO)C2CCCC2)C1 ZINC001278227135 828260078 /nfs/dbraw/zinc/26/00/78/828260078.db2.gz XMWKQRZYQMDNOR-UONOGXRCSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CCO)C2CCCC2)C1 ZINC001278227135 828260084 /nfs/dbraw/zinc/26/00/84/828260084.db2.gz XMWKQRZYQMDNOR-UONOGXRCSA-N 2 1 299.415 -0.426 20 0 CBADMP C[NH+](C)CCN1CC2(C1)CN(C(=O)N1CC[NH+](C)CC1)C2 ZINC001278270544 828262945 /nfs/dbraw/zinc/26/29/45/828262945.db2.gz HTRAVHMRMVICNH-UHFFFAOYSA-N 2 1 295.431 -0.467 20 0 CBADMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1CCO ZINC001278520907 828272778 /nfs/dbraw/zinc/27/27/78/828272778.db2.gz KDHURKOMLAVZHO-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278765912 828283828 /nfs/dbraw/zinc/28/38/28/828283828.db2.gz FDMNTAQUILBHOB-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001278765912 828283833 /nfs/dbraw/zinc/28/38/33/828283833.db2.gz FDMNTAQUILBHOB-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001278765912 828283839 /nfs/dbraw/zinc/28/38/39/828283839.db2.gz FDMNTAQUILBHOB-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CC(N2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001348305762 890590730 /nfs/dbraw/zinc/59/07/30/890590730.db2.gz VQDCNIHSEQBPIC-UHFFFAOYSA-N 2 1 263.345 -0.659 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001350549928 891002053 /nfs/dbraw/zinc/00/20/53/891002053.db2.gz MLJNYLXQLBPVPF-UHFFFAOYSA-N 2 1 268.405 -0.214 20 0 CBADMP C[NH2+]CCN(C)C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC001326376056 885010540 /nfs/dbraw/zinc/01/05/40/885010540.db2.gz RSZLSCIWNFKLBB-SECBINFHSA-N 2 1 251.334 -0.222 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)NCCC[NH+]1CCOCC1 ZINC001326626630 885094932 /nfs/dbraw/zinc/09/49/32/885094932.db2.gz KUSPYDBBRWSFDH-LBPRGKRZSA-N 2 1 272.393 -0.896 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCO)CCOCC1 ZINC001327621839 885432788 /nfs/dbraw/zinc/43/27/88/885432788.db2.gz LSDKJSCWSIRADL-LBPRGKRZSA-N 2 1 285.388 -0.672 20 0 CBADMP COCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001331712370 886927230 /nfs/dbraw/zinc/92/72/30/886927230.db2.gz OBTQBULNFYFLGR-OLZOCXBDSA-N 2 1 287.404 -0.428 20 0 CBADMP CCOCC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001331834409 887006233 /nfs/dbraw/zinc/00/62/33/887006233.db2.gz HLZGUPIAHHYLJS-RYUDHWBXSA-N 2 1 273.377 -0.959 20 0 CBADMP [NH3+]C1CC[NH+](CCc2cn([C@@H]3CC[C@H]3O)nn2)CC1 ZINC001331857714 887015516 /nfs/dbraw/zinc/01/55/16/887015516.db2.gz OAPSDXUIXGPPNU-CHWSQXEVSA-N 2 1 265.361 -0.061 20 0 CBADMP C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1C[NH2+]C1 ZINC001332399589 887260397 /nfs/dbraw/zinc/26/03/97/887260397.db2.gz DRCOKHKHVFHPKL-JQWIXIFHSA-N 2 1 267.373 -0.131 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CCO)C(C)(C)C)C1 ZINC001332776441 887429082 /nfs/dbraw/zinc/42/90/82/887429082.db2.gz SXUFKPQMJGEITJ-NWDGAFQWSA-N 2 1 287.404 -0.570 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CCO)C(C)(C)C)C1 ZINC001332776441 887429090 /nfs/dbraw/zinc/42/90/90/887429090.db2.gz SXUFKPQMJGEITJ-NWDGAFQWSA-N 2 1 287.404 -0.570 20 0 CBADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)CO)CC2)C1 ZINC001334616751 888273278 /nfs/dbraw/zinc/27/32/78/888273278.db2.gz UUVPDXDKEHNLCD-CHWSQXEVSA-N 2 1 257.378 -0.949 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)CO)CC2)C1 ZINC001334616751 888273289 /nfs/dbraw/zinc/27/32/89/888273289.db2.gz UUVPDXDKEHNLCD-CHWSQXEVSA-N 2 1 257.378 -0.949 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001335202901 888442859 /nfs/dbraw/zinc/44/28/59/888442859.db2.gz SBFUQPWLCJTQRL-GHMZBOCLSA-N 2 1 257.382 -0.779 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC001336977999 888939537 /nfs/dbraw/zinc/93/95/37/888939537.db2.gz OGVKLAIIDBTALV-QWRGUYRKSA-N 2 1 259.350 -0.813 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337441605 889011010 /nfs/dbraw/zinc/01/10/10/889011010.db2.gz UKXZGWFKDBUEQN-SRVKXCTJSA-N 2 1 284.404 -0.314 20 0 CBADMP C[NH2+]CCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001338627709 889182902 /nfs/dbraw/zinc/18/29/02/889182902.db2.gz XBWFJFOTFWRJRW-RYUDHWBXSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[NH+]1CCC(CO)CC1 ZINC001340350806 889424213 /nfs/dbraw/zinc/42/42/13/889424213.db2.gz ZLERSEYWAILANS-AAEUAGOBSA-N 2 1 269.389 -0.053 20 0 CBADMP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001340839538 889495755 /nfs/dbraw/zinc/49/57/55/889495755.db2.gz TVBQGZSHZGSNIK-WDEREUQCSA-N 2 1 257.378 -0.245 20 0 CBADMP C[NH2+]C1CC(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC001340852575 889498062 /nfs/dbraw/zinc/49/80/62/889498062.db2.gz HZTNDLVSDVDMQV-CXQJBGSLSA-N 2 1 255.362 -0.179 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001340852584 889498300 /nfs/dbraw/zinc/49/83/00/889498300.db2.gz IBHDZRPGJFATSS-RTXFEEFZSA-N 2 1 269.389 -0.197 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1(C)C ZINC001340953475 889521892 /nfs/dbraw/zinc/52/18/92/889521892.db2.gz RTACSGKVPVVSQL-GWCFXTLKSA-N 2 1 255.362 -0.348 20 0 CBADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001341424699 889595067 /nfs/dbraw/zinc/59/50/67/889595067.db2.gz KAZGRTMZAWFFBQ-AXFHLTTASA-N 2 1 266.345 -0.155 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CC[NH+](C)CC1 ZINC001341419726 889596144 /nfs/dbraw/zinc/59/61/44/889596144.db2.gz RNTWTHMBNIIVNZ-WUHRBBMRSA-N 2 1 266.389 -0.369 20 0 CBADMP CN1CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC[N@H+](C)CC1 ZINC001341511929 889612292 /nfs/dbraw/zinc/61/22/92/889612292.db2.gz MOPKIMQFNAMGDI-OLZOCXBDSA-N 2 1 286.395 -0.360 20 0 CBADMP CN1CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC[N@@H+](C)CC1 ZINC001341511929 889612299 /nfs/dbraw/zinc/61/22/99/889612299.db2.gz MOPKIMQFNAMGDI-OLZOCXBDSA-N 2 1 286.395 -0.360 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001341620873 889634037 /nfs/dbraw/zinc/63/40/37/889634037.db2.gz ZUOBLAIJUINKLS-NTZNESFSSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]([NH3+])CO)Cc1ccc(F)cc1 ZINC001341620090 889634155 /nfs/dbraw/zinc/63/41/55/889634155.db2.gz SDEYDYNRFVXXSR-GFCCVEGCSA-N 2 1 269.320 -0.307 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CNCC[NH3+] ZINC001341614793 889634889 /nfs/dbraw/zinc/63/48/89/889634889.db2.gz RAKTYYTUSCOQBL-LBPRGKRZSA-N 2 1 256.394 -0.085 20 0 CBADMP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCCn1cc[nH+]c1C ZINC001341663098 889643492 /nfs/dbraw/zinc/64/34/92/889643492.db2.gz PPIAGNHGFHYZPR-CMPLNLGQSA-N 2 1 268.361 -0.086 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C1(C[NH3+])CC(O)C1 ZINC001341890562 889679679 /nfs/dbraw/zinc/67/96/79/889679679.db2.gz FHQNQAOACZZXQR-UHFFFAOYSA-N 2 1 255.362 -0.361 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001342075992 889708873 /nfs/dbraw/zinc/70/88/73/889708873.db2.gz AESIVBWNTXEELZ-JTQLQIEISA-N 2 1 250.302 -0.561 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001443810847 912278850 /nfs/dbraw/zinc/27/88/50/912278850.db2.gz GAUUZAGZEKJVFR-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001443810847 912278863 /nfs/dbraw/zinc/27/88/63/912278863.db2.gz GAUUZAGZEKJVFR-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001443834739 912285121 /nfs/dbraw/zinc/28/51/21/912285121.db2.gz AJUWDGFGFDPEQV-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001443834739 912285137 /nfs/dbraw/zinc/28/51/37/912285137.db2.gz AJUWDGFGFDPEQV-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001443834739 912285155 /nfs/dbraw/zinc/28/51/55/912285155.db2.gz AJUWDGFGFDPEQV-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001443834739 912285171 /nfs/dbraw/zinc/28/51/71/912285171.db2.gz AJUWDGFGFDPEQV-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001342176727 889725814 /nfs/dbraw/zinc/72/58/14/889725814.db2.gz URAZDRADWKENAI-FIQHERPVSA-N 2 1 253.346 -0.548 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N[C@@]3(C)CC[NH2+]C3)cc2C[NH2+]1 ZINC001342181474 889726623 /nfs/dbraw/zinc/72/66/23/889726623.db2.gz BTQMCGGZXFDPNN-ZANVPECISA-N 2 1 263.345 -0.143 20 0 CBADMP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1nnnn1C ZINC001444032339 912329025 /nfs/dbraw/zinc/32/90/25/912329025.db2.gz JHESHYMGBXVAEV-NSHDSACASA-N 2 1 297.407 -0.465 20 0 CBADMP CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]Cc1nnnn1C ZINC001444032339 912329049 /nfs/dbraw/zinc/32/90/49/912329049.db2.gz JHESHYMGBXVAEV-NSHDSACASA-N 2 1 297.407 -0.465 20 0 CBADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]CC(=O)NC ZINC001444044340 912332660 /nfs/dbraw/zinc/33/26/60/912332660.db2.gz SBXWZNJDMPLHDZ-LLVKDONJSA-N 2 1 281.360 -0.578 20 0 CBADMP C[C@H]([NH3+])CC(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001342641744 889807977 /nfs/dbraw/zinc/80/79/77/889807977.db2.gz IEIAOZPSZKEUBZ-TVQRCGJNSA-N 2 1 263.345 -0.280 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001444077340 912352042 /nfs/dbraw/zinc/35/20/42/912352042.db2.gz BFVQSXBOMBCNAD-UHFFFAOYSA-N 2 1 284.404 -0.168 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001342994125 889851430 /nfs/dbraw/zinc/85/14/30/889851430.db2.gz LUGYUBLNTBPOLH-OWTLIXCDSA-N 2 1 269.389 -0.387 20 0 CBADMP CC(C)c1[nH+]ccn1CCNC(=O)CNCC[NH3+] ZINC001343395640 889898723 /nfs/dbraw/zinc/89/87/23/889898723.db2.gz SSRGXWDZGUKTTL-UHFFFAOYSA-N 2 1 253.350 -0.329 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC001343440038 889908709 /nfs/dbraw/zinc/90/87/09/889908709.db2.gz VECHPBTVFHQNQD-SRVKXCTJSA-N 2 1 257.378 -0.339 20 0 CBADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C[C@H](O)C[NH3+])C1 ZINC001343445748 889909320 /nfs/dbraw/zinc/90/93/20/889909320.db2.gz XYKXACOEQJYVDV-OLZOCXBDSA-N 2 1 269.389 -0.114 20 0 CBADMP C[C@H]([NH3+])C1(C(=O)N2CC[NH+](C)CC2)CCOCC1 ZINC001343458438 889913134 /nfs/dbraw/zinc/91/31/34/889913134.db2.gz LAIPFGBTFSYEHV-NSHDSACASA-N 2 1 255.362 -0.096 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001444310346 912422001 /nfs/dbraw/zinc/42/20/01/912422001.db2.gz QLDRLXPFYPXMLM-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001444310344 912423104 /nfs/dbraw/zinc/42/31/04/912423104.db2.gz QLDRLXPFYPXMLM-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001444313119 912423548 /nfs/dbraw/zinc/42/35/48/912423548.db2.gz YDTIPZWMZKSQNH-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001444362600 912435878 /nfs/dbraw/zinc/43/58/78/912435878.db2.gz MESVIEOYCPAJEH-CMPLNLGQSA-N 2 1 295.387 -0.332 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001444429457 912447629 /nfs/dbraw/zinc/44/76/29/912447629.db2.gz CKUOPZFWTWDKNA-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001444639686 912485039 /nfs/dbraw/zinc/48/50/39/912485039.db2.gz UBBFOOGAHMHTQC-SNVBAGLBSA-N 2 1 281.360 -0.626 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1C[NH2+]CC1(C)C)N1CC[NH+](C)CC1 ZINC001345380941 890124164 /nfs/dbraw/zinc/12/41/64/890124164.db2.gz MIGKCDOSFRXBMZ-NWDGAFQWSA-N 2 1 268.405 -0.264 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@H]1CCCNC1=O ZINC001445088080 912558831 /nfs/dbraw/zinc/55/88/31/912558831.db2.gz SFCREBUTZYRYFY-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@H]1CCCNC1=O ZINC001445088080 912558840 /nfs/dbraw/zinc/55/88/40/912558840.db2.gz SFCREBUTZYRYFY-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@H]1CCCNC1=O ZINC001445088080 912558849 /nfs/dbraw/zinc/55/88/49/912558849.db2.gz SFCREBUTZYRYFY-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@H]1CCCNC1=O ZINC001445088080 912558859 /nfs/dbraw/zinc/55/88/59/912558859.db2.gz SFCREBUTZYRYFY-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(N)=O)C1 ZINC001445148412 912579873 /nfs/dbraw/zinc/57/98/73/912579873.db2.gz XFPWVHSOEHHOCH-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1CCOCC1 ZINC001445165886 912594947 /nfs/dbraw/zinc/59/49/47/912594947.db2.gz XUJLOFAVTIJHRT-KGLIPLIRSA-N 2 1 299.415 -0.426 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001445332747 912638046 /nfs/dbraw/zinc/63/80/46/912638046.db2.gz YQINNISRVVIZIM-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001445425629 912660520 /nfs/dbraw/zinc/66/05/20/912660520.db2.gz YMSVDKKVXOPRHC-WOPDTQHZSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445497729 912680652 /nfs/dbraw/zinc/68/06/52/912680652.db2.gz DUJWJUYEBPJRNJ-MNOVXSKESA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445497729 912680661 /nfs/dbraw/zinc/68/06/61/912680661.db2.gz DUJWJUYEBPJRNJ-MNOVXSKESA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001445535832 912692617 /nfs/dbraw/zinc/69/26/17/912692617.db2.gz VXYQDFIXLRNPIM-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001445564141 912701863 /nfs/dbraw/zinc/70/18/63/912701863.db2.gz GQNGVZFRXYWQNT-NWDGAFQWSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001445564141 912701876 /nfs/dbraw/zinc/70/18/76/912701876.db2.gz GQNGVZFRXYWQNT-NWDGAFQWSA-N 2 1 294.403 -0.106 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001445646102 912723254 /nfs/dbraw/zinc/72/32/54/912723254.db2.gz JDBIOKJVGFOLOC-YNEHKIRRSA-N 2 1 287.404 -0.570 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001446075405 912811442 /nfs/dbraw/zinc/81/14/42/912811442.db2.gz OZAIJEXFWXIOKC-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001446075405 912811462 /nfs/dbraw/zinc/81/14/62/912811462.db2.gz OZAIJEXFWXIOKC-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152426130 884676396 /nfs/dbraw/zinc/67/63/96/884676396.db2.gz DAXQCTCGFVEPJC-UHFFFAOYSA-N 2 1 275.393 -0.305 20 0 CBADMP CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176565791 884704119 /nfs/dbraw/zinc/70/41/19/884704119.db2.gz XHVZGVHOVWNKML-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001188158233 884722117 /nfs/dbraw/zinc/72/21/17/884722117.db2.gz ISGQVJBKYGKZDB-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](Cc2ccnc(N3CCOCC3)c2)C[C@H]1O ZINC001206463702 884758072 /nfs/dbraw/zinc/75/80/72/884758072.db2.gz BWPGDJUJLYHCLU-UONOGXRCSA-N 2 1 292.383 -0.330 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccnc(N3CCOCC3)c2)C[C@H]1O ZINC001206463702 884758083 /nfs/dbraw/zinc/75/80/83/884758083.db2.gz BWPGDJUJLYHCLU-UONOGXRCSA-N 2 1 292.383 -0.330 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001210811626 884766213 /nfs/dbraw/zinc/76/62/13/884766213.db2.gz PJRBIGIPNFENAS-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343693 884772728 /nfs/dbraw/zinc/77/27/28/884772728.db2.gz GWWCMWSCQPNZDZ-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343693 884772738 /nfs/dbraw/zinc/77/27/38/884772738.db2.gz GWWCMWSCQPNZDZ-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378537 884778816 /nfs/dbraw/zinc/77/88/16/884778816.db2.gz VLINCDDGZXPNPO-YNEHKIRRSA-N 2 1 287.404 -0.212 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)N1CC[NH+](C)CC1 ZINC001326276764 884970498 /nfs/dbraw/zinc/97/04/98/884970498.db2.gz WEZBVPYRHQKUQG-NEPJUHHUSA-N 2 1 254.378 -0.571 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1cnn(C)c1 ZINC001326287121 884971401 /nfs/dbraw/zinc/97/14/01/884971401.db2.gz IFQRZDJEXVZBJH-USWWRNFRSA-N 2 1 265.361 -0.063 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001326299666 884976711 /nfs/dbraw/zinc/97/67/11/884976711.db2.gz TXTGHVXYDFMMLS-MXWKQRLJSA-N 2 1 269.345 -0.380 20 0 CBADMP C[C@@H](C(=O)N[C@H]1CCC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC001326306189 884979021 /nfs/dbraw/zinc/97/90/21/884979021.db2.gz OCTOFUSIDWAVGP-STQMWFEESA-N 2 1 268.405 -0.119 20 0 CBADMP COCCOC[C@@H]1CC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001326308846 884981604 /nfs/dbraw/zinc/98/16/04/884981604.db2.gz FWBJIWUNGRWPCF-CYBMUJFWSA-N 2 1 285.388 -0.597 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC001326372342 885005996 /nfs/dbraw/zinc/00/59/96/885005996.db2.gz QUYZJKOFCIWSCI-MCIONIFRSA-N 2 1 280.416 -0.119 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC001326369128 885008590 /nfs/dbraw/zinc/00/85/90/885008590.db2.gz CHGVMGFAQRENEH-OLZOCXBDSA-N 2 1 268.405 -0.262 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)c1cnn(C)c1 ZINC001326393928 885014829 /nfs/dbraw/zinc/01/48/29/885014829.db2.gz IFTZTRLFAMUOOW-JQWIXIFHSA-N 2 1 265.361 -0.252 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)c1cnn(C)c1 ZINC001326393928 885014836 /nfs/dbraw/zinc/01/48/36/885014836.db2.gz IFTZTRLFAMUOOW-JQWIXIFHSA-N 2 1 265.361 -0.252 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CNC(=O)C[NH3+] ZINC001326409123 885021960 /nfs/dbraw/zinc/02/19/60/885021960.db2.gz UFJUVWGSKFJILC-VIFPVBQESA-N 2 1 267.333 -0.981 20 0 CBADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC[NH2+]CC1 ZINC001326568209 885067812 /nfs/dbraw/zinc/06/78/12/885067812.db2.gz WYUAAOFRHIWYTO-SNVBAGLBSA-N 2 1 263.345 -0.078 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001326988877 885214017 /nfs/dbraw/zinc/21/40/17/885214017.db2.gz DSRONJZLCIGGJS-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C1([NH3+])CC1 ZINC001327120898 885266317 /nfs/dbraw/zinc/26/63/17/885266317.db2.gz IBYBANVHOWNCEM-UHFFFAOYSA-N 2 1 254.378 -0.426 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001327471963 885366862 /nfs/dbraw/zinc/36/68/62/885366862.db2.gz PAHRZSDSFFWSOI-GRYCIOLGSA-N 2 1 280.372 -0.793 20 0 CBADMP CC[N@@H+](CCNC(=O)C1=NO[C@@H](C[NH3+])C1)C(C)C ZINC001327601152 885426820 /nfs/dbraw/zinc/42/68/20/885426820.db2.gz GZGURCZJSYKWQH-SNVBAGLBSA-N 2 1 256.350 -0.064 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)CCC1 ZINC001446758090 912937942 /nfs/dbraw/zinc/93/79/42/912937942.db2.gz MVRNWFKPGPGCSB-CQSZACIVSA-N 2 1 299.415 -0.594 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](C[C@@H](C)O)C1 ZINC001446788191 912950283 /nfs/dbraw/zinc/95/02/83/912950283.db2.gz BCERVYVKUKUPNS-OCCSQVGLSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001446788191 912950291 /nfs/dbraw/zinc/95/02/91/912950291.db2.gz BCERVYVKUKUPNS-OCCSQVGLSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001446788191 912950308 /nfs/dbraw/zinc/95/03/08/912950308.db2.gz BCERVYVKUKUPNS-OCCSQVGLSA-N 2 1 287.404 -0.738 20 0 CBADMP CCN(C(=O)C(=O)N(C)CC1C[NH+](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC001328282754 885621397 /nfs/dbraw/zinc/62/13/97/885621397.db2.gz PVHXDDGRKHGVNG-CYBMUJFWSA-N 2 1 296.415 -0.441 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC001328455021 885692663 /nfs/dbraw/zinc/69/26/63/885692663.db2.gz MVRAKQNSECWDJR-KBPBESRZSA-N 2 1 298.431 -0.506 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001328773640 885809036 /nfs/dbraw/zinc/80/90/36/885809036.db2.gz XAJINDRGHDJKPH-OLZOCXBDSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCS(=O)(=O)C1 ZINC001329206455 885968128 /nfs/dbraw/zinc/96/81/28/885968128.db2.gz KMCMFIKBVXWCKA-SNVBAGLBSA-N 2 1 250.364 -0.672 20 0 CBADMP C[N@H+](CCOCC[NH3+])C[C@H]1CCS(=O)(=O)C1 ZINC001329206455 885968116 /nfs/dbraw/zinc/96/81/16/885968116.db2.gz KMCMFIKBVXWCKA-SNVBAGLBSA-N 2 1 250.364 -0.672 20 0 CBADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC001329480963 886087999 /nfs/dbraw/zinc/08/79/99/886087999.db2.gz KTUZIIWFZGJFTK-TUAOUCFPSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H](C(=O)N1CCC(C[NH3+])CC1)N1CC[NH+](C)CC1 ZINC001329483266 886089553 /nfs/dbraw/zinc/08/95/53/886089553.db2.gz PXORGNIQJQVNGZ-LBPRGKRZSA-N 2 1 268.405 -0.180 20 0 CBADMP Cc1nc[nH]c1CC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001329626144 886150061 /nfs/dbraw/zinc/15/00/61/886150061.db2.gz LSTJCGXUEFKSQT-JTQLQIEISA-N 2 1 252.318 -0.557 20 0 CBADMP CCN1CC(CCO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001329695644 886179453 /nfs/dbraw/zinc/17/94/53/886179453.db2.gz ZMOIQWNVIPNDNF-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001329760473 886198600 /nfs/dbraw/zinc/19/86/00/886198600.db2.gz QQOPFOBQFYJOKC-AGIUHOORSA-N 2 1 268.405 -0.040 20 0 CBADMP COC[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001447061049 913017948 /nfs/dbraw/zinc/01/79/48/913017948.db2.gz VWYMDJTXPGIUKM-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP C[NH+](C/C=C\C[N@H+](C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC001329862246 886245287 /nfs/dbraw/zinc/24/52/87/886245287.db2.gz HUQGDDLZKDEXNE-OPVGQWETSA-N 2 1 280.372 -0.817 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](CCOCCO)C1 ZINC001330032631 886331380 /nfs/dbraw/zinc/33/13/80/886331380.db2.gz VDBXPSJWXKBSIF-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001330085552 886352902 /nfs/dbraw/zinc/35/29/02/886352902.db2.gz POFAENNZIZAKAZ-SDDRHHMPSA-N 2 1 255.362 -0.321 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001330085017 886353594 /nfs/dbraw/zinc/35/35/94/886353594.db2.gz KJLGBLONBKMJMD-SDDRHHMPSA-N 2 1 255.362 -0.321 20 0 CBADMP C[NH2+][C@H](C)CCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC001330365621 886428678 /nfs/dbraw/zinc/42/86/78/886428678.db2.gz MWEKOYZNXNDOGB-SNVBAGLBSA-N 2 1 263.407 -0.002 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC([NH3+])CC3)CC[C@@H]21 ZINC001330568314 886484141 /nfs/dbraw/zinc/48/41/41/886484141.db2.gz SLXFYEDYCWRUSF-YPMHNXCESA-N 2 1 294.399 -0.511 20 0 CBADMP CCOCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001330583207 886488189 /nfs/dbraw/zinc/48/81/89/886488189.db2.gz HXDFBGTVMOANRX-IHRRRGAJSA-N 2 1 299.415 -0.162 20 0 CBADMP CCOCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001330583207 886488195 /nfs/dbraw/zinc/48/81/95/886488195.db2.gz HXDFBGTVMOANRX-IHRRRGAJSA-N 2 1 299.415 -0.162 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC001330593025 886493399 /nfs/dbraw/zinc/49/33/99/886493399.db2.gz VXQTXPOJZSRBPA-LBPRGKRZSA-N 2 1 297.403 -0.766 20 0 CBADMP CN(CCOCC[NH3+])C(=O)c1csc(C[NH3+])n1 ZINC001330626152 886512685 /nfs/dbraw/zinc/51/26/85/886512685.db2.gz YCBZXZGCTZARDB-UHFFFAOYSA-N 2 1 258.347 -0.351 20 0 CBADMP C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)C1C[NH2+]C1 ZINC001330796428 886573997 /nfs/dbraw/zinc/57/39/97/886573997.db2.gz ZBALQHYPCLBZDI-GXFFZTMASA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC001330870594 886606818 /nfs/dbraw/zinc/60/68/18/886606818.db2.gz MLXYZVKGIPDGEO-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCC[NH2+][C@H](C)C(N)=O ZINC001330978190 886638730 /nfs/dbraw/zinc/63/87/30/886638730.db2.gz XEPWFKCVXQEDBJ-WDEREUQCSA-N 2 1 295.387 -0.060 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001331053158 886660680 /nfs/dbraw/zinc/66/06/80/886660680.db2.gz MNJGVRLINLGZHG-NSHDSACASA-N 2 1 252.318 -0.232 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001331319901 886774182 /nfs/dbraw/zinc/77/41/82/886774182.db2.gz QOJDJLYCGYZPMP-DCAQKATOSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC001331320852 886777459 /nfs/dbraw/zinc/77/74/59/886777459.db2.gz YULRMMAEDWTJIZ-QWRGUYRKSA-N 2 1 296.371 -0.148 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1(C)C ZINC001331373042 886786257 /nfs/dbraw/zinc/78/62/57/886786257.db2.gz AOOFXXPPZIXGMG-FZMZJTMJSA-N 2 1 267.373 -0.225 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1(C)C ZINC001331373042 886786268 /nfs/dbraw/zinc/78/62/68/886786268.db2.gz AOOFXXPPZIXGMG-FZMZJTMJSA-N 2 1 267.373 -0.225 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCF)C2)C1 ZINC001447473809 913084896 /nfs/dbraw/zinc/08/48/96/913084896.db2.gz MNCCWQDLJKOACO-GXTWGEPZSA-N 2 1 287.379 -0.149 20 0 CBADMP CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC001331573955 886852717 /nfs/dbraw/zinc/85/27/17/886852717.db2.gz HNLWIKRTEHWFHB-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001331687025 886907297 /nfs/dbraw/zinc/90/72/97/886907297.db2.gz YKPYEDUWHNFKOF-CHWSQXEVSA-N 2 1 285.388 -0.650 20 0 CBADMP CC(C)=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001331687025 886907306 /nfs/dbraw/zinc/90/73/06/886907306.db2.gz YKPYEDUWHNFKOF-CHWSQXEVSA-N 2 1 285.388 -0.650 20 0 CBADMP CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001331835167 887003789 /nfs/dbraw/zinc/00/37/89/887003789.db2.gz LFDNHMQTPONTGX-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ncnn1C ZINC001331898002 887035277 /nfs/dbraw/zinc/03/52/77/887035277.db2.gz NMUZXVWFDHBRSZ-LBPRGKRZSA-N 2 1 266.393 -0.069 20 0 CBADMP OCC[NH2+]C1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC001331917212 887045127 /nfs/dbraw/zinc/04/51/27/887045127.db2.gz VCQZHRXETHMSCV-GFCCVEGCSA-N 2 1 265.361 -0.188 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001331949067 887058167 /nfs/dbraw/zinc/05/81/67/887058167.db2.gz NXSGDXNJSNSJKK-VIFPVBQESA-N 2 1 256.350 -0.950 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001331948437 887058575 /nfs/dbraw/zinc/05/85/75/887058575.db2.gz LOXUNCCZFAIZSP-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCO)C[C@@H]1C ZINC001332051809 887093467 /nfs/dbraw/zinc/09/34/67/887093467.db2.gz UFVPSZZJPCTMJA-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001447776389 913122515 /nfs/dbraw/zinc/12/25/15/913122515.db2.gz PLEPRGCLMGQGOE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001447776389 913122524 /nfs/dbraw/zinc/12/25/24/913122524.db2.gz PLEPRGCLMGQGOE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001447776389 913122532 /nfs/dbraw/zinc/12/25/32/913122532.db2.gz PLEPRGCLMGQGOE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001447776389 913122549 /nfs/dbraw/zinc/12/25/49/913122549.db2.gz PLEPRGCLMGQGOE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC001332334614 887206875 /nfs/dbraw/zinc/20/68/75/887206875.db2.gz NTSVUHKQHBPWLX-RYUDHWBXSA-N 3 1 255.362 -0.586 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC001332334614 887206892 /nfs/dbraw/zinc/20/68/92/887206892.db2.gz NTSVUHKQHBPWLX-RYUDHWBXSA-N 3 1 255.362 -0.586 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001332331623 887207681 /nfs/dbraw/zinc/20/76/81/887207681.db2.gz KFHZRBBBTDEHTA-TXEJJXNPSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CC[C@H]([N@@H+](C)CC(N)=O)CC1 ZINC001332364483 887227401 /nfs/dbraw/zinc/22/74/01/887227401.db2.gz GRHGJVWZVGASMU-MGCOHNPYSA-N 2 1 256.350 -0.868 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001332390622 887248574 /nfs/dbraw/zinc/24/85/74/887248574.db2.gz HHIKNEYIMYODLE-XQQFMLRXSA-N 2 1 296.415 -0.075 20 0 CBADMP CN(C)C(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001447817267 913133652 /nfs/dbraw/zinc/13/36/52/913133652.db2.gz MNDULGAGVQMDSU-CPCZMJQVSA-N 2 1 296.415 -0.489 20 0 CBADMP 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 887347653 /nfs/dbraw/zinc/34/76/53/887347653.db2.gz MOHPTRICRKAZQW-KIJLLGNVSA-N 2 1 264.373 -0.060 20 0 CBADMP COCC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001332567308 887359462 /nfs/dbraw/zinc/35/94/62/887359462.db2.gz UOKQGRLDRLXOMJ-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP CN(C[C@H](O)C[NH2+]CCCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001332591162 887366505 /nfs/dbraw/zinc/36/65/05/887366505.db2.gz DNCOXEHERVCCAI-CHWSQXEVSA-N 2 1 287.404 -0.881 20 0 CBADMP CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1CCCCC[C@H]1N ZINC001332876255 887458879 /nfs/dbraw/zinc/45/88/79/887458879.db2.gz DWQKDNBXXTZBLC-GMTAPVOTSA-N 2 1 264.391 -0.359 20 0 CBADMP CN(C(=O)CC[NH+]1CCOCC1)C1CC([NH2+]CCCO)C1 ZINC001333128838 887537282 /nfs/dbraw/zinc/53/72/82/887537282.db2.gz MVFHELOEELKGPM-UHFFFAOYSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC001333161724 887546501 /nfs/dbraw/zinc/54/65/01/887546501.db2.gz RZBDVCXKLJQBBQ-FRRDWIJNSA-N 2 1 255.362 -0.633 20 0 CBADMP CN1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC[NH+](C)CC1 ZINC001333404952 887624832 /nfs/dbraw/zinc/62/48/32/887624832.db2.gz QBSQHJHWKWYIOO-HNNXBMFYSA-N 2 1 284.448 -0.379 20 0 CBADMP CN1CCN(C[C@@H](O)C[NH+](C)C2CC2)CC[N@H+](C)CC1 ZINC001333404952 887624838 /nfs/dbraw/zinc/62/48/38/887624838.db2.gz QBSQHJHWKWYIOO-HNNXBMFYSA-N 2 1 284.448 -0.379 20 0 CBADMP CN1CCN(C[C@@H](O)C[NH+](C)C2CC2)CC[N@@H+](C)CC1 ZINC001333404952 887624841 /nfs/dbraw/zinc/62/48/41/887624841.db2.gz QBSQHJHWKWYIOO-HNNXBMFYSA-N 2 1 284.448 -0.379 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001333421349 887630307 /nfs/dbraw/zinc/63/03/07/887630307.db2.gz GNIASRNIUJRBNX-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001333421349 887630311 /nfs/dbraw/zinc/63/03/11/887630311.db2.gz GNIASRNIUJRBNX-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP C[N@@H+](CCCO)C1CCN(C[C@@H]2CNC(=O)C2)CC1 ZINC001333582128 887703716 /nfs/dbraw/zinc/70/37/16/887703716.db2.gz JYBAMKFRNQOCGC-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC001333582128 887703747 /nfs/dbraw/zinc/70/37/47/887703747.db2.gz JYBAMKFRNQOCGC-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@H+]1CCC[C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC001333636402 887729944 /nfs/dbraw/zinc/72/99/44/887729944.db2.gz QXVUAYVJUSGPDM-QWRGUYRKSA-N 2 1 268.361 -0.062 20 0 CBADMP CN1CCN(C[C@H](O)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC001333656314 887738210 /nfs/dbraw/zinc/73/82/10/887738210.db2.gz OCJBIZYHUQMCDR-QLFBSQMISA-N 2 1 284.448 -0.476 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCCC[NH3+])CC[C@@H]21 ZINC001333957515 887819582 /nfs/dbraw/zinc/81/95/82/887819582.db2.gz CEJQQJUZVYRTOM-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001334139373 887875451 /nfs/dbraw/zinc/87/54/51/887875451.db2.gz LJZJTLVAAZYAON-ZDUSSCGKSA-N 2 1 266.389 -0.461 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001448013925 913190203 /nfs/dbraw/zinc/19/02/03/913190203.db2.gz HSLTZXYURCTZSB-QJPTWQEYSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001448013925 913190214 /nfs/dbraw/zinc/19/02/14/913190214.db2.gz HSLTZXYURCTZSB-QJPTWQEYSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001448013925 913190223 /nfs/dbraw/zinc/19/02/23/913190223.db2.gz HSLTZXYURCTZSB-QJPTWQEYSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001448013925 913190235 /nfs/dbraw/zinc/19/02/35/913190235.db2.gz HSLTZXYURCTZSB-QJPTWQEYSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001448086781 913217222 /nfs/dbraw/zinc/21/72/22/913217222.db2.gz OFRSYOSLQOWUGD-GHMZBOCLSA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001448086781 913217236 /nfs/dbraw/zinc/21/72/36/913217236.db2.gz OFRSYOSLQOWUGD-GHMZBOCLSA-N 2 1 272.393 -0.491 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC(=O)NC1CC1 ZINC001448093532 913215986 /nfs/dbraw/zinc/21/59/86/913215986.db2.gz YNONLSNWNDPEQL-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC(=O)NC1CC1 ZINC001448093532 913216000 /nfs/dbraw/zinc/21/60/00/913216000.db2.gz YNONLSNWNDPEQL-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCNCC[NH2+]CC1 ZINC001334763969 888317318 /nfs/dbraw/zinc/31/73/18/888317318.db2.gz VCNPSFISGOUCJY-KGLIPLIRSA-N 2 1 268.405 -0.750 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)CC[N@H+]1C ZINC001335207468 888449004 /nfs/dbraw/zinc/44/90/04/888449004.db2.gz RPHBVZTXSWNDNF-NXEZZACHSA-N 2 1 268.361 -0.807 20 0 CBADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC001335458630 888537915 /nfs/dbraw/zinc/53/79/15/888537915.db2.gz RNIRJIMKINGXPE-OLZOCXBDSA-N 2 1 251.330 -0.229 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC[C@@H](O)c2ccccn2)C1 ZINC001335458630 888537890 /nfs/dbraw/zinc/53/78/90/888537890.db2.gz RNIRJIMKINGXPE-OLZOCXBDSA-N 2 1 251.330 -0.229 20 0 CBADMP CN1CC[C@](O)(C[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC001335458630 888537899 /nfs/dbraw/zinc/53/78/99/888537899.db2.gz RNIRJIMKINGXPE-OLZOCXBDSA-N 2 1 251.330 -0.229 20 0 CBADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC001335458630 888537910 /nfs/dbraw/zinc/53/79/10/888537910.db2.gz RNIRJIMKINGXPE-OLZOCXBDSA-N 2 1 251.330 -0.229 20 0 CBADMP CN1CCN(C(=O)NCC2([NH+](C)C)CC2)CC[N@@H+](C)CC1 ZINC001335551041 888564740 /nfs/dbraw/zinc/56/47/40/888564740.db2.gz VFLZIJZZKLSRNR-UHFFFAOYSA-N 2 1 297.447 -0.031 20 0 CBADMP C[C@@H](O)[C@@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC001335593648 888575919 /nfs/dbraw/zinc/57/59/19/888575919.db2.gz IRGASRBYRBQSJJ-OLZOCXBDSA-N 2 1 259.394 -0.703 20 0 CBADMP C[C@H](O)[C@@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC001335593651 888577152 /nfs/dbraw/zinc/57/71/52/888577152.db2.gz IRGASRBYRBQSJJ-STQMWFEESA-N 2 1 259.394 -0.703 20 0 CBADMP C[N@@H+]1CC=C(CNC(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001335623818 888586800 /nfs/dbraw/zinc/58/68/00/888586800.db2.gz VDXKDLJBAFNBKB-UHFFFAOYSA-N 2 1 295.431 -0.029 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001335831335 888639543 /nfs/dbraw/zinc/63/95/43/888639543.db2.gz JSUGDNUDUIMLFX-JHJVBQTASA-N 2 1 294.399 -0.463 20 0 CBADMP CC(=O)N1CCN(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC001335934848 888658159 /nfs/dbraw/zinc/65/81/59/888658159.db2.gz SSPUOACLDMNDCO-OAHLLOKOSA-N 2 1 298.431 -0.803 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001336049817 888686089 /nfs/dbraw/zinc/68/60/89/888686089.db2.gz WRUXXDDSDGJFCT-HAQNSBGRSA-N 2 1 272.393 -0.009 20 0 CBADMP CN1CCO[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2C)C1 ZINC001336224432 888722202 /nfs/dbraw/zinc/72/22/02/888722202.db2.gz PFIXNYRTZHCPKT-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001336224432 888722211 /nfs/dbraw/zinc/72/22/11/888722211.db2.gz PFIXNYRTZHCPKT-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001336224432 888722219 /nfs/dbraw/zinc/72/22/19/888722219.db2.gz PFIXNYRTZHCPKT-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2C)C1 ZINC001336224432 888722235 /nfs/dbraw/zinc/72/22/35/888722235.db2.gz PFIXNYRTZHCPKT-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001448314756 913273508 /nfs/dbraw/zinc/27/35/08/913273508.db2.gz AADYFFWRAODLRP-VHSXEESVSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001448323631 913276982 /nfs/dbraw/zinc/27/69/82/913276982.db2.gz XZFYRXIKWLDHBJ-YPMHNXCESA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001448331660 913279719 /nfs/dbraw/zinc/27/97/19/913279719.db2.gz HWEVTWNJWXSSOY-VXGBXAGGSA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001448331660 913279736 /nfs/dbraw/zinc/27/97/36/913279736.db2.gz HWEVTWNJWXSSOY-VXGBXAGGSA-N 2 1 298.431 -0.102 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001336587461 888804705 /nfs/dbraw/zinc/80/47/05/888804705.db2.gz SDAYFRQSYQLLIH-SWLSCSKDSA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N(C)[C@@H]3CC[NH2+]C3)cc2C[NH2+]1 ZINC001336688598 888846064 /nfs/dbraw/zinc/84/60/64/888846064.db2.gz ZXNSVBCQHVMXRU-VHSXEESVSA-N 2 1 263.345 -0.191 20 0 CBADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC001336735521 888859868 /nfs/dbraw/zinc/85/98/68/888859868.db2.gz FRTNFWIYGSUIKF-VXGBXAGGSA-N 2 1 270.377 -0.303 20 0 CBADMP C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@H]1[NH3+] ZINC001336812362 888890193 /nfs/dbraw/zinc/89/01/93/888890193.db2.gz YLWQQTBZKWHXRB-GRYCIOLGSA-N 2 1 269.393 -0.779 20 0 CBADMP COCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001448382420 913290443 /nfs/dbraw/zinc/29/04/43/913290443.db2.gz FCUJLFJHFDJIES-HNNXBMFYSA-N 2 1 299.415 -0.112 20 0 CBADMP COCC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001448382420 913290463 /nfs/dbraw/zinc/29/04/63/913290463.db2.gz FCUJLFJHFDJIES-HNNXBMFYSA-N 2 1 299.415 -0.112 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC001336964486 888938379 /nfs/dbraw/zinc/93/83/79/888938379.db2.gz HCRDOWYGXZPJOB-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001336990775 888944641 /nfs/dbraw/zinc/94/46/41/888944641.db2.gz PBEJCDVIZUBVRC-SBFPOUOMSA-N 2 1 268.361 -0.755 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1(C)C ZINC001337015477 888948723 /nfs/dbraw/zinc/94/87/23/888948723.db2.gz DSDXQGQZLWCEQI-MNOVXSKESA-N 2 1 255.362 -0.097 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCNCC[NH2+]CC1 ZINC001337062656 888957446 /nfs/dbraw/zinc/95/74/46/888957446.db2.gz OWKOSXNBYGVFSG-CYBMUJFWSA-N 2 1 283.420 -0.325 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[NH+]2CCC1CC2 ZINC001337408129 889002309 /nfs/dbraw/zinc/00/23/09/889002309.db2.gz BTGQWKNIQLTGDX-ZDUSSCGKSA-N 2 1 267.373 -0.081 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001337485206 889019459 /nfs/dbraw/zinc/01/94/59/889019459.db2.gz KLHGPQHITOYJQG-GRYCIOLGSA-N 2 1 282.388 -0.560 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2 ZINC001448485181 913305647 /nfs/dbraw/zinc/30/56/47/913305647.db2.gz XVXMFOTWYPQXKZ-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC001448485181 913305665 /nfs/dbraw/zinc/30/56/65/913305665.db2.gz XVXMFOTWYPQXKZ-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001448517447 913313897 /nfs/dbraw/zinc/31/38/97/913313897.db2.gz QVXCROLPHWTBLD-AVGNSLFASA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001448522383 913313942 /nfs/dbraw/zinc/31/39/42/913313942.db2.gz VOMACEZNWHMYDH-RVMXOQNASA-N 2 1 296.415 -0.443 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001448504651 913314463 /nfs/dbraw/zinc/31/44/63/913314463.db2.gz VQXMRZJFEQYZGP-XYPYZODXSA-N 2 1 282.388 -0.560 20 0 CBADMP 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 913318805 /nfs/dbraw/zinc/31/88/05/913318805.db2.gz ZCRPWIFWINGSCE-RNJOBUHISA-N 2 1 296.415 -0.314 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001339069372 889235719 /nfs/dbraw/zinc/23/57/19/889235719.db2.gz MNUDEEHRFNFHMD-LBPRGKRZSA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001339716102 889314194 /nfs/dbraw/zinc/31/41/94/889314194.db2.gz RZLZVMUULCMPSR-AVGNSLFASA-N 2 1 266.389 -0.557 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H]1CCC[NH2+]1 ZINC001339716157 889315724 /nfs/dbraw/zinc/31/57/24/889315724.db2.gz STTMCFPJQWCTSW-IJLUTSLNSA-N 2 1 252.362 -0.757 20 0 CBADMP [NH3+][C@@H]1C[C@H](C(=O)NCCC[NH+]2CCOCC2)[C@H]2C[C@H]21 ZINC001340012173 889362192 /nfs/dbraw/zinc/36/21/92/889362192.db2.gz OJJIAYHJAWUYLL-QNWHQSFQSA-N 2 1 267.373 -0.192 20 0 CBADMP CC(C)c1[nH+]ccn1CCNC(=O)C[C@H](O)C[NH3+] ZINC001340044098 889369516 /nfs/dbraw/zinc/36/95/16/889369516.db2.gz GEUQCASNABJEPF-JTQLQIEISA-N 2 1 254.334 -0.168 20 0 CBADMP C[N@H+]1CCCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001340133355 889391415 /nfs/dbraw/zinc/39/14/15/889391415.db2.gz KGPQJGXAVSKBOE-CYBMUJFWSA-N 2 1 255.362 -0.345 20 0 CBADMP Cc1sc(C[NH3+])nc1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001340162704 889397638 /nfs/dbraw/zinc/39/76/38/889397638.db2.gz GLZHSJHPZAEKPA-MTBHXBHISA-N 2 1 252.343 -0.142 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CNCC[NH3+])C1 ZINC001340152523 889398524 /nfs/dbraw/zinc/39/85/24/889398524.db2.gz XLZJYLORWJIKJJ-LBPRGKRZSA-N 2 1 272.393 -0.992 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CNCC[NH3+] ZINC001340191262 889405266 /nfs/dbraw/zinc/40/52/66/889405266.db2.gz SCLIEFYSVYGQNQ-NEPJUHHUSA-N 2 1 256.394 -0.229 20 0 CBADMP [NH3+][C@H](CO)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001340287094 889419996 /nfs/dbraw/zinc/41/99/96/889419996.db2.gz LOJHWUNSVXXSNL-RAIGVLPGSA-N 2 1 267.373 -0.219 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH2+]CC1(C)C ZINC001340482921 889439736 /nfs/dbraw/zinc/43/97/36/889439736.db2.gz DIPJPFGDKJNOFN-VXGBXAGGSA-N 2 1 266.389 -0.415 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001340532187 889442379 /nfs/dbraw/zinc/44/23/79/889442379.db2.gz YDCCGXDHYGSTSO-CYBMUJFWSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@@H+](CCc1ccccc1)CC(=O)NC[C@@H](O)C[NH3+] ZINC001340754005 889479918 /nfs/dbraw/zinc/47/99/18/889479918.db2.gz JATUARRYAZFUHN-ZDUSSCGKSA-N 2 1 265.357 -0.403 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)C2(C[NH3+])CC(O)C2)C[C@H](C)O1 ZINC001340791651 889487467 /nfs/dbraw/zinc/48/74/67/889487467.db2.gz SFHHRZODUDTAIU-DOOHLRMFSA-N 2 1 299.415 -0.298 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340790475 889487653 /nfs/dbraw/zinc/48/76/53/889487653.db2.gz LBJJVKYRKIAVIG-JSGCOSHPSA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001340854263 889498335 /nfs/dbraw/zinc/49/83/35/889498335.db2.gz PYUNLROBVJKQBL-QNWHQSFQSA-N 2 1 267.373 -0.321 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[NH+]1CCC(CO)CC1 ZINC001340864368 889500241 /nfs/dbraw/zinc/50/02/41/889500241.db2.gz BEPAIANJMFXAHN-CMPLNLGQSA-N 2 1 255.362 -0.443 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001340882142 889503720 /nfs/dbraw/zinc/50/37/20/889503720.db2.gz VXMDRQPFLGDKOP-VXGBXAGGSA-N 2 1 254.378 -0.652 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N[C@@H]3CCC[NH2+]C3)cc2C[NH2+]1 ZINC001340915141 889513130 /nfs/dbraw/zinc/51/31/30/889513130.db2.gz DVINYBWDGZPLLR-NXEZZACHSA-N 2 1 263.345 -0.143 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1(C)C ZINC001340953475 889521883 /nfs/dbraw/zinc/52/18/83/889521883.db2.gz RTACSGKVPVVSQL-GWCFXTLKSA-N 2 1 255.362 -0.348 20 0 CBADMP [NH3+][C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)C[C@H]1C(F)(F)F ZINC001341056450 889536172 /nfs/dbraw/zinc/53/61/72/889536172.db2.gz JUYRVBYJPSMTDO-QYNIQEEDSA-N 2 1 269.292 -0.003 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1C[NH2+]CCN1C ZINC001341040060 889537419 /nfs/dbraw/zinc/53/74/19/889537419.db2.gz GEJWRFJOKBMJOR-GFCCVEGCSA-N 2 1 254.378 -0.557 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001341395421 889590513 /nfs/dbraw/zinc/59/05/13/889590513.db2.gz PYWQVKMEUCRPTQ-LBPRGKRZSA-N 2 1 256.394 -0.310 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001341395421 889590521 /nfs/dbraw/zinc/59/05/21/889590521.db2.gz PYWQVKMEUCRPTQ-LBPRGKRZSA-N 2 1 256.394 -0.310 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC(C)(C)CC[NH3+] ZINC001341129805 889546846 /nfs/dbraw/zinc/54/68/46/889546846.db2.gz LXQMXSLFGWHKDT-GHMZBOCLSA-N 2 1 254.378 -0.382 20 0 CBADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC001341425315 889595808 /nfs/dbraw/zinc/59/58/08/889595808.db2.gz PTVNESRKUAYNRC-AGIUHOORSA-N 2 1 263.341 -0.262 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[C@@H](O)C[NH2+]C ZINC001341514447 889612501 /nfs/dbraw/zinc/61/25/01/889612501.db2.gz GYICEEYUSRDESZ-TUAOUCFPSA-N 2 1 257.378 -0.197 20 0 CBADMP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001341517045 889613015 /nfs/dbraw/zinc/61/30/15/889613015.db2.gz QVFUZQZEZQSZQC-IJLUTSLNSA-N 2 1 255.362 -0.227 20 0 CBADMP [NH3+]CCN1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC001341587028 889628849 /nfs/dbraw/zinc/62/88/49/889628849.db2.gz SQDAZVSFWLDPCW-YPMHNXCESA-N 2 1 294.399 -0.463 20 0 CBADMP CC(C)(O)[C@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC001341598458 889631876 /nfs/dbraw/zinc/63/18/76/889631876.db2.gz HEQRIIAYPDYNMS-LLVKDONJSA-N 2 1 255.362 -0.219 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001341620871 889634663 /nfs/dbraw/zinc/63/46/63/889634663.db2.gz ZUOBLAIJUINKLS-NQBHXWOUSA-N 2 1 255.362 -0.443 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCCCn1cc[nH+]c1C ZINC001341662769 889641799 /nfs/dbraw/zinc/64/17/99/889641799.db2.gz NGCFINSBIZMPST-LLVKDONJSA-N 2 1 282.344 -0.022 20 0 CBADMP [NH3+]C[C@@H](O)CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC001341664680 889642265 /nfs/dbraw/zinc/64/22/65/889642265.db2.gz CYHQDFWYERDXGA-RYUDHWBXSA-N 2 1 264.329 -0.736 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001341660088 889642482 /nfs/dbraw/zinc/64/24/82/889642482.db2.gz RUKUDFBSAYEBQC-UPJWGTAASA-N 2 1 266.389 -0.367 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001341677635 889645003 /nfs/dbraw/zinc/64/50/03/889645003.db2.gz QVFMNCJKANXPNG-TZMCWYRMSA-N 2 1 269.389 -0.051 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341733047 889654120 /nfs/dbraw/zinc/65/41/20/889654120.db2.gz NTIZYLBQTVDNLG-SGESHTKJSA-N 2 1 267.373 -0.302 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001341733051 889654942 /nfs/dbraw/zinc/65/49/42/889654942.db2.gz NTIZYLBQTVDNLG-XVSYOHENSA-N 2 1 267.373 -0.302 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H]([NH3+])C1CC1 ZINC001341734512 889655510 /nfs/dbraw/zinc/65/55/10/889655510.db2.gz VQCFTDSXTKRHLM-USWWRNFRSA-N 2 1 252.362 -0.772 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001341748901 889657782 /nfs/dbraw/zinc/65/77/82/889657782.db2.gz UIZQHCPZHABKMC-XQHKEYJVSA-N 2 1 266.389 -0.430 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001341763556 889659873 /nfs/dbraw/zinc/65/98/73/889659873.db2.gz FERKXJMUGONKQX-UTUOFQBUSA-N 2 1 254.378 -0.511 20 0 CBADMP CC(C)([NH3+])C(=O)NCCCCC[NH+]1CCNCC1 ZINC001341821595 889668245 /nfs/dbraw/zinc/66/82/45/889668245.db2.gz BBHIGNXBOKWXMZ-UHFFFAOYSA-N 2 1 256.394 -0.085 20 0 CBADMP Cc1ccc(NCCNC(=O)CNCC[NH3+])[nH+]c1 ZINC001341963866 889688963 /nfs/dbraw/zinc/68/89/63/889688963.db2.gz GEBDIFQZVIHLLO-UHFFFAOYSA-N 2 1 251.334 -0.534 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001341983487 889695002 /nfs/dbraw/zinc/69/50/02/889695002.db2.gz OEGDBOAUXBOTPO-RNJOBUHISA-N 2 1 266.389 -0.382 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001342155525 889722504 /nfs/dbraw/zinc/72/25/04/889722504.db2.gz KFHFBAXPACSQFJ-LBPRGKRZSA-N 2 1 256.394 -0.452 20 0 CBADMP C[NH2+]C1CC(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC001342299427 889749222 /nfs/dbraw/zinc/74/92/22/889749222.db2.gz QWYBRRGVEOKOPF-MCIGGMRASA-N 2 1 282.388 -0.560 20 0 CBADMP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC[N@H+]1C ZINC001342305916 889749387 /nfs/dbraw/zinc/74/93/87/889749387.db2.gz CRZADSVGHAESQG-GHMZBOCLSA-N 2 1 257.378 -0.117 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001342391390 889766980 /nfs/dbraw/zinc/76/69/80/889766980.db2.gz FNUSLQGXAHCAHF-CYDGBPFRSA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001342414205 889771088 /nfs/dbraw/zinc/77/10/88/889771088.db2.gz CSSLRLVGLGOIKX-KXNHARMFSA-N 2 1 252.362 -0.901 20 0 CBADMP CCN(C(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C)[C@@H]1CC[NH2+]C1 ZINC001342476725 889781964 /nfs/dbraw/zinc/78/19/64/889781964.db2.gz VVUWXJAMOVUPOQ-XQQFMLRXSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@H]2[NH2+]CC23CCOCC3)CC[N@H+]1C ZINC001342649977 889809874 /nfs/dbraw/zinc/80/98/74/889809874.db2.gz QDCCAYNMGLEBCR-IJLUTSLNSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2[NH2+]CC23CCOCC3)CC[N@H+]1C ZINC001342649978 889811386 /nfs/dbraw/zinc/81/13/86/889811386.db2.gz QDCCAYNMGLEBCR-UTUOFQBUSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@@]1(C(=O)NCCCCC[NH+]2CCNCC2)C[C@H](O)C[NH2+]1 ZINC001342678230 889815163 /nfs/dbraw/zinc/81/51/63/889815163.db2.gz AKNIIUXPVKHJOA-ZFWWWQNUSA-N 2 1 298.431 -0.709 20 0 CBADMP O=C(C[NH2+]C1CC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001342695835 889818795 /nfs/dbraw/zinc/81/87/95/889818795.db2.gz KYCQKSNHXLXLFW-OLZOCXBDSA-N 2 1 267.373 -0.204 20 0 CBADMP C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC001342757670 889823658 /nfs/dbraw/zinc/82/36/58/889823658.db2.gz MNPICZSMPZQHEQ-IJLUTSLNSA-N 2 1 254.378 -0.572 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]([NH3+])C(C)(C)O)C[C@]2(C)C1 ZINC001342994803 889851208 /nfs/dbraw/zinc/85/12/08/889851208.db2.gz PTWOTOMUVJGFHZ-BREBYQMCSA-N 2 1 255.362 -0.505 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC([NH3+])CC1 ZINC001343019911 889855515 /nfs/dbraw/zinc/85/55/15/889855515.db2.gz HAYCLDNOARAZSE-ZYHUDNBSSA-N 2 1 252.362 -0.676 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC([NH3+])CC1 ZINC001343019907 889855842 /nfs/dbraw/zinc/85/58/42/889855842.db2.gz HAYCLDNOARAZSE-JQWIXIFHSA-N 2 1 252.362 -0.676 20 0 CBADMP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001343036937 889859934 /nfs/dbraw/zinc/85/99/34/889859934.db2.gz ISQMARFVRWDJAK-YNEHKIRRSA-N 2 1 268.405 -0.136 20 0 CBADMP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001343372516 889896465 /nfs/dbraw/zinc/89/64/65/889896465.db2.gz SRQYKXXKCXSPQY-ZYHUDNBSSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC001343372771 889896482 /nfs/dbraw/zinc/89/64/82/889896482.db2.gz XPJKKFCEJTWOKY-COMQUAJESA-N 2 1 299.415 -0.285 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001343373468 889896713 /nfs/dbraw/zinc/89/67/13/889896713.db2.gz DIYPUXBNDNEMGR-DGCLKSJQSA-N 2 1 266.345 -0.189 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC[NH2+]CC3)[C@H]2C1 ZINC001343592652 889939362 /nfs/dbraw/zinc/93/93/62/889939362.db2.gz PIBCLQWRCVQQLC-AVGNSLFASA-N 2 1 266.389 -0.652 20 0 CBADMP Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001448819135 913402532 /nfs/dbraw/zinc/40/25/32/913402532.db2.gz DUZXTHHCBPVDRG-DGCLKSJQSA-N 2 1 295.387 -0.919 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC(C)(C)[NH3+] ZINC001344548246 890040296 /nfs/dbraw/zinc/04/02/96/890040296.db2.gz MRZZORIOLHCULV-QWRGUYRKSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@H+]1C ZINC001344876496 890076496 /nfs/dbraw/zinc/07/64/96/890076496.db2.gz GERFNURHPZMPRT-XZUYRWCXSA-N 2 1 253.346 -0.569 20 0 CBADMP O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001345502936 890137884 /nfs/dbraw/zinc/13/78/84/890137884.db2.gz ZUWDRVIYSZIFQE-YNEHKIRRSA-N 2 1 267.373 -0.300 20 0 CBADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCC[NH3+])CC1 ZINC001345918397 890179228 /nfs/dbraw/zinc/17/92/28/890179228.db2.gz GQOSFCGFBISVKS-UHFFFAOYSA-N 2 1 265.361 -0.293 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N3CC[NH2+][C@@H](C)C3)cc2C[NH2+]1 ZINC001346057678 890207632 /nfs/dbraw/zinc/20/76/32/890207632.db2.gz QUYCVAPSSRXDJN-UWVGGRQHSA-N 2 1 263.345 -0.191 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+](C)C1CC1 ZINC001346309687 890263816 /nfs/dbraw/zinc/26/38/16/890263816.db2.gz ZPWRTFDTLJHFML-YPMHNXCESA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@H+](C)C1CC1 ZINC001346309687 890263831 /nfs/dbraw/zinc/26/38/31/890263831.db2.gz ZPWRTFDTLJHFML-YPMHNXCESA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@@H+](C)C1CC1 ZINC001346309687 890263846 /nfs/dbraw/zinc/26/38/46/890263846.db2.gz ZPWRTFDTLJHFML-YPMHNXCESA-N 2 1 266.389 -0.415 20 0 CBADMP 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 890304942 /nfs/dbraw/zinc/30/49/42/890304942.db2.gz UFVNOGOOIGWIAK-JLDUMIBSSA-N 2 1 264.373 -0.203 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CC[NH+](C)C ZINC001346611698 890333585 /nfs/dbraw/zinc/33/35/85/890333585.db2.gz LULZJFXQDBAESR-RYUDHWBXSA-N 2 1 254.378 -0.605 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001347174212 890425178 /nfs/dbraw/zinc/42/51/78/890425178.db2.gz BAWSYUDUKARHFX-YPMHNXCESA-N 2 1 255.362 -0.394 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H]1CCC[NH+]1C ZINC001347361486 890455160 /nfs/dbraw/zinc/45/51/60/890455160.db2.gz HAVCGDSYTGRITF-FRRDWIJNSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC001347361486 890455168 /nfs/dbraw/zinc/45/51/68/890455168.db2.gz HAVCGDSYTGRITF-FRRDWIJNSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@@H]1CCC[N@H+]1C ZINC001347361486 890455175 /nfs/dbraw/zinc/45/51/75/890455175.db2.gz HAVCGDSYTGRITF-FRRDWIJNSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC001348308655 890592475 /nfs/dbraw/zinc/59/24/75/890592475.db2.gz OUUVQCNOHDALLQ-HBNTYKKESA-N 2 1 268.361 -0.937 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001348836899 890708913 /nfs/dbraw/zinc/70/89/13/890708913.db2.gz HYLLHFODBWZHLW-FIQHERPVSA-N 2 1 280.372 -0.950 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC(N)=O)CC2 ZINC001449006637 913485287 /nfs/dbraw/zinc/48/52/87/913485287.db2.gz DLRWDFASJHGPAZ-SWLSCSKDSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC(N)=O)CC2 ZINC001449006637 913485294 /nfs/dbraw/zinc/48/52/94/913485294.db2.gz DLRWDFASJHGPAZ-SWLSCSKDSA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001348958822 890737868 /nfs/dbraw/zinc/73/78/68/890737868.db2.gz YOZVUZSJIMVIJM-GDBMZVCRSA-N 3 1 296.459 -0.331 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001449025695 913482815 /nfs/dbraw/zinc/48/28/15/913482815.db2.gz VDHANNKDAAGATP-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2 ZINC001449006637 913485302 /nfs/dbraw/zinc/48/53/02/913485302.db2.gz DLRWDFASJHGPAZ-SWLSCSKDSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2 ZINC001449006637 913485308 /nfs/dbraw/zinc/48/53/08/913485308.db2.gz DLRWDFASJHGPAZ-SWLSCSKDSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCNC(=O)C[NH+]2CCCC2)C1 ZINC001349029415 890748889 /nfs/dbraw/zinc/74/88/89/890748889.db2.gz OWSOXHVFLPUSAH-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCNC(=O)C[NH+]2CCCC2)C1 ZINC001349029413 890749254 /nfs/dbraw/zinc/74/92/54/890749254.db2.gz OWSOXHVFLPUSAH-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP C[NH2+][C@@H](C(=O)NCC1CC[NH2+]CC1)c1cnn(C)c1 ZINC001349370569 890803364 /nfs/dbraw/zinc/80/33/64/890803364.db2.gz DWMGEYFFVHNIGW-GFCCVEGCSA-N 2 1 265.361 -0.204 20 0 CBADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)nn1 ZINC001349399169 890807155 /nfs/dbraw/zinc/80/71/55/890807155.db2.gz YUIHCGOFOZBYLY-WCQYABFASA-N 3 1 264.377 -0.017 20 0 CBADMP [NH3+]Cc1cn([C@@H]2CCCN(C[C@H]3CC[NH2+]C3)C2)nn1 ZINC001349399169 890807167 /nfs/dbraw/zinc/80/71/67/890807167.db2.gz YUIHCGOFOZBYLY-WCQYABFASA-N 2 1 264.377 -0.017 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001349807118 890894101 /nfs/dbraw/zinc/89/41/01/890894101.db2.gz CIZOORQJVHRFNN-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC001350224169 890950201 /nfs/dbraw/zinc/95/02/01/890950201.db2.gz SZEMSQIONJKPRD-DCAQKATOSA-N 2 1 256.350 -0.911 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001350549928 891002039 /nfs/dbraw/zinc/00/20/39/891002039.db2.gz MLJNYLXQLBPVPF-UHFFFAOYSA-N 2 1 268.405 -0.214 20 0 CBADMP C[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001352802012 891299043 /nfs/dbraw/zinc/29/90/43/891299043.db2.gz DNHOHRNXTSWXAV-GFCCVEGCSA-N 2 1 258.362 -0.427 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC001352850792 891308329 /nfs/dbraw/zinc/30/83/29/891308329.db2.gz YDLKHMSCGHIIBB-BDAKNGLRSA-N 2 1 251.334 -0.094 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC001352862019 891314076 /nfs/dbraw/zinc/31/40/76/891314076.db2.gz LRCDQRIDPFUSIT-XQQFMLRXSA-N 2 1 268.405 -0.040 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)C1CC[NH2+]CC1 ZINC001352987083 891336893 /nfs/dbraw/zinc/33/68/93/891336893.db2.gz FOPKRHFHIDPNRH-WCQYABFASA-N 2 1 266.389 -0.415 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001353121576 891361393 /nfs/dbraw/zinc/36/13/93/891361393.db2.gz KIJGMQHXNWYHSU-DCAQKATOSA-N 2 1 280.372 -0.807 20 0 CBADMP 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 891381757 /nfs/dbraw/zinc/38/17/57/891381757.db2.gz GSPSUGYEMFZUHE-LPWJVIDDSA-N 2 1 294.399 -0.608 20 0 CBADMP C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001353271544 891391066 /nfs/dbraw/zinc/39/10/66/891391066.db2.gz BSLACEAFJLNBMR-KGLIPLIRSA-N 3 1 270.421 -0.864 20 0 CBADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC001353292085 891394836 /nfs/dbraw/zinc/39/48/36/891394836.db2.gz ICQLPNAMJPYYCU-NQBHXWOUSA-N 2 1 294.399 -0.394 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC001353299301 891396614 /nfs/dbraw/zinc/39/66/14/891396614.db2.gz NCPDIJVKFYLCGD-XQHKEYJVSA-N 2 1 294.399 -0.417 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001353449095 891428104 /nfs/dbraw/zinc/42/81/04/891428104.db2.gz ZNTDZQUJQPLBGF-WZRBSPASSA-N 2 1 255.362 -0.300 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001353449094 891428712 /nfs/dbraw/zinc/42/87/12/891428712.db2.gz ZNTDZQUJQPLBGF-NTZNESFSSA-N 2 1 255.362 -0.300 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC/C=C/C[NH3+])C1 ZINC001353489115 891433496 /nfs/dbraw/zinc/43/34/96/891433496.db2.gz NHEFKESWLNLZIF-UFFNRZRYSA-N 2 1 270.377 -0.354 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001353481788 891433680 /nfs/dbraw/zinc/43/36/80/891433680.db2.gz HSVLZPRLJYVOEM-STQMWFEESA-N 2 1 268.405 -0.262 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)NCC2([NH3+])CC2)CC1 ZINC001353501809 891436737 /nfs/dbraw/zinc/43/67/37/891436737.db2.gz KEMHJTYEZGKEKA-UHFFFAOYSA-N 2 1 270.377 -0.159 20 0 CBADMP [NH3+][C@H](CO)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC001353526610 891439194 /nfs/dbraw/zinc/43/91/94/891439194.db2.gz MVPHTRKLLKQMFY-GFCCVEGCSA-N 2 1 255.362 -0.217 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001353568955 891446323 /nfs/dbraw/zinc/44/63/23/891446323.db2.gz AFIDSIDGJAENGB-LKSINWNRSA-N 2 1 269.389 -0.114 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001353591803 891449689 /nfs/dbraw/zinc/44/96/89/891449689.db2.gz VTMOEGQFOQWNMM-BDAKNGLRSA-N 2 1 251.334 -0.301 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001353591805 891449722 /nfs/dbraw/zinc/44/97/22/891449722.db2.gz VTMOEGQFOQWNMM-IUCAKERBSA-N 2 1 251.334 -0.301 20 0 CBADMP C[C@@H](NC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2)[C@H](C)[NH3+] ZINC001353653876 891456272 /nfs/dbraw/zinc/45/62/72/891456272.db2.gz FWPJVASSXXCEOC-HRDYMLBCSA-N 2 1 251.334 -0.160 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001353760633 891471004 /nfs/dbraw/zinc/47/10/04/891471004.db2.gz MKEJWGCFWLPIAM-FRRDWIJNSA-N 2 1 267.373 -0.320 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC001354409160 891577813 /nfs/dbraw/zinc/57/78/13/891577813.db2.gz CGDGIHIBMFRJHI-RYUDHWBXSA-N 2 1 255.362 -0.036 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001354408955 891577933 /nfs/dbraw/zinc/57/79/33/891577933.db2.gz CGDGIHIBMFRJHI-NEPJUHHUSA-N 2 1 255.362 -0.036 20 0 CBADMP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001354524325 891589660 /nfs/dbraw/zinc/58/96/60/891589660.db2.gz VMEZXYCAXIGHTI-JHJVBQTASA-N 2 1 266.389 -0.557 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)c1cnn(C)c1 ZINC001354696681 891608023 /nfs/dbraw/zinc/60/80/23/891608023.db2.gz QWXBGZNWWYGQBY-JFGNBEQYSA-N 2 1 265.361 -0.348 20 0 CBADMP CN1CCN(C(=O)C23CC(C2)C[NH2+]3)CC[N@H+](C)CC1 ZINC001355441607 891678179 /nfs/dbraw/zinc/67/81/79/891678179.db2.gz MREABSRZKSZEDG-UHFFFAOYSA-N 2 1 266.389 -0.556 20 0 CBADMP CN1CCN(C(=O)C23CC(C2)C[NH2+]3)CC[N@@H+](C)CC1 ZINC001355441607 891678185 /nfs/dbraw/zinc/67/81/85/891678185.db2.gz MREABSRZKSZEDG-UHFFFAOYSA-N 2 1 266.389 -0.556 20 0 CBADMP C[C@@H](NC(=O)C(C)(C)C[NH3+])[C@H]1C[N@@H+](C)CCN1C ZINC001356253699 891744680 /nfs/dbraw/zinc/74/46/80/891744680.db2.gz ORWWZLZUXORCBM-GHMZBOCLSA-N 2 1 256.394 -0.278 20 0 CBADMP C[C@H](CNC(=O)C1(C[NH3+])CC(O)C1)[N@@H+](C)C1CC1 ZINC001357391914 891883306 /nfs/dbraw/zinc/88/33/06/891883306.db2.gz OFHKKJLWJAYKOE-CBZQXFMTSA-N 2 1 255.362 -0.315 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[N@H+]1C ZINC001357405577 891887462 /nfs/dbraw/zinc/88/74/62/891887462.db2.gz TXHODYTZFXBJAO-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)CNCC[NH3+])C1 ZINC001357427935 891890666 /nfs/dbraw/zinc/89/06/66/891890666.db2.gz HUGVECFUQXYJKJ-CYBMUJFWSA-N 2 1 268.405 -0.275 20 0 CBADMP [NH3+][C@H](CO)C(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC001357463178 891898108 /nfs/dbraw/zinc/89/81/08/891898108.db2.gz KUSDKAFDDGFEJZ-VXGBXAGGSA-N 2 1 267.304 -0.382 20 0 CBADMP C[C@H]([NH3+])CONC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001357872457 891944777 /nfs/dbraw/zinc/94/47/77/891944777.db2.gz BASJRJCYLRAONP-JGVFFNPUSA-N 2 1 253.306 -0.617 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001357925798 891947906 /nfs/dbraw/zinc/94/79/06/891947906.db2.gz UUCDZYBQXWEJGT-UPJWGTAASA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[C@H]([NH3+])C1 ZINC001358129837 891975098 /nfs/dbraw/zinc/97/50/98/891975098.db2.gz FTVKEDYBMCTYML-SRVKXCTJSA-N 2 1 252.362 -0.676 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC001358187267 891979792 /nfs/dbraw/zinc/97/97/92/891979792.db2.gz VXBNCOSVLIAKCP-UTUOFQBUSA-N 2 1 255.362 -0.036 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001362270129 892554228 /nfs/dbraw/zinc/55/42/28/892554228.db2.gz NZIWCVWHIYEYPX-YRGRVCCFSA-N 2 1 287.404 -0.740 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001362282772 892565447 /nfs/dbraw/zinc/56/54/47/892565447.db2.gz GIXZZAGOTUGLCY-QWHCGFSZSA-N 2 1 286.395 -0.218 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001362282772 892565464 /nfs/dbraw/zinc/56/54/64/892565464.db2.gz GIXZZAGOTUGLCY-QWHCGFSZSA-N 2 1 286.395 -0.218 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001362282772 892565480 /nfs/dbraw/zinc/56/54/80/892565480.db2.gz GIXZZAGOTUGLCY-QWHCGFSZSA-N 2 1 286.395 -0.218 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001450353339 913683783 /nfs/dbraw/zinc/68/37/83/913683783.db2.gz UCQKHLNDCOQDBS-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001362661985 892894168 /nfs/dbraw/zinc/89/41/68/892894168.db2.gz KTCHLPFMKASGLP-QWHCGFSZSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](F)C2)CC1 ZINC001362661985 892894179 /nfs/dbraw/zinc/89/41/79/892894179.db2.gz KTCHLPFMKASGLP-QWHCGFSZSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@@H](CC[NH+](C)C)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC001362739702 892983940 /nfs/dbraw/zinc/98/39/40/892983940.db2.gz FMFFDVOCJLQESK-ZDUSSCGKSA-N 2 1 298.431 -0.193 20 0 CBADMP C[C@H](C(=O)N1CC([NH2+][C@H]2CCOC2)C1)N1CC[NH+](C)CC1 ZINC001362991186 893240416 /nfs/dbraw/zinc/24/04/16/893240416.db2.gz LPWOXCBJLASTLZ-OLZOCXBDSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@@H](C(=O)N1CC([NH2+][C@H]2CCOC2)C1)N1CC[NH+](C)CC1 ZINC001362991188 893240760 /nfs/dbraw/zinc/24/07/60/893240760.db2.gz LPWOXCBJLASTLZ-STQMWFEESA-N 2 1 296.415 -0.788 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C[C@H](C)[NH2+]1 ZINC001363024415 893276616 /nfs/dbraw/zinc/27/66/16/893276616.db2.gz PROFPCRPAGOYIU-FQUUOJAGSA-N 2 1 280.416 -0.026 20 0 CBADMP CC[N@@H+]1CC[C@H]1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001363475545 893714798 /nfs/dbraw/zinc/71/47/98/893714798.db2.gz LPNLMKBTRAKOEZ-LBPRGKRZSA-N 2 1 282.388 -0.687 20 0 CBADMP CC[N@H+]1CC[C@H]1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001363475545 893714809 /nfs/dbraw/zinc/71/48/09/893714809.db2.gz LPNLMKBTRAKOEZ-LBPRGKRZSA-N 2 1 282.388 -0.687 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCN(C(=O)CC[N@H+]2CC[C@@H](F)C2)C1 ZINC001363677682 893908243 /nfs/dbraw/zinc/90/82/43/893908243.db2.gz OVVLLEMGGSGNCJ-OCCSQVGLSA-N 2 1 287.379 -0.055 20 0 CBADMP C[NH+](C)C[C@]1(O)CCN(C(=O)CC[N@H+]2CC[C@H](F)C2)C1 ZINC001363677676 893909311 /nfs/dbraw/zinc/90/93/11/893909311.db2.gz OVVLLEMGGSGNCJ-GXTWGEPZSA-N 2 1 287.379 -0.055 20 0 CBADMP O=C1C[C@@H](C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CN1 ZINC001363776064 893980819 /nfs/dbraw/zinc/98/08/19/893980819.db2.gz AYRAWYWRFYPIGY-CYBMUJFWSA-N 2 1 297.399 -0.718 20 0 CBADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CNC(=O)C3)CC2)C1 ZINC001363789379 893994835 /nfs/dbraw/zinc/99/48/35/893994835.db2.gz DBIYYHTWXMWISA-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001363839528 894046637 /nfs/dbraw/zinc/04/66/37/894046637.db2.gz GVUBGNOPOHQWLF-DOMZBBRYSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)CN(C)C(=O)CC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001363839528 894046650 /nfs/dbraw/zinc/04/66/50/894046650.db2.gz GVUBGNOPOHQWLF-DOMZBBRYSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)CN(C)C(=O)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001363839528 894046665 /nfs/dbraw/zinc/04/66/65/894046665.db2.gz GVUBGNOPOHQWLF-DOMZBBRYSA-N 2 1 297.399 -0.109 20 0 CBADMP CCc1nccn1CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001364060853 894169912 /nfs/dbraw/zinc/16/99/12/894169912.db2.gz TYYWBKJHWAEMAL-QWHCGFSZSA-N 2 1 291.399 -0.050 20 0 CBADMP CCc1[nH+]ccn1CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001364060853 894169925 /nfs/dbraw/zinc/16/99/25/894169925.db2.gz TYYWBKJHWAEMAL-QWHCGFSZSA-N 2 1 291.399 -0.050 20 0 CBADMP C[C@H](C(=O)N[C@@]12CC[N@@H+](C1)CCC2)N1CCN(C)CC1 ZINC001364523612 894475746 /nfs/dbraw/zinc/47/57/46/894475746.db2.gz AAQXPARCGLQWGY-HIFRSBDPSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@H](C(=O)N[C@@]12CC[N@@H+](C1)CCC2)N1CC[NH+](C)CC1 ZINC001364523612 894475777 /nfs/dbraw/zinc/47/57/77/894475777.db2.gz AAQXPARCGLQWGY-HIFRSBDPSA-N 2 1 280.416 -0.023 20 0 CBADMP COCC[N@H+](C)C[C@H](O)CN1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001364539977 894485948 /nfs/dbraw/zinc/48/59/48/894485948.db2.gz ZBENHMCUFHYUCR-IHRRRGAJSA-N 2 1 289.395 -0.347 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001364539977 894485963 /nfs/dbraw/zinc/48/59/63/894485963.db2.gz ZBENHMCUFHYUCR-IHRRRGAJSA-N 2 1 289.395 -0.347 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001364539977 894485978 /nfs/dbraw/zinc/48/59/78/894485978.db2.gz ZBENHMCUFHYUCR-IHRRRGAJSA-N 2 1 289.395 -0.347 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001364539977 894485990 /nfs/dbraw/zinc/48/59/90/894485990.db2.gz ZBENHMCUFHYUCR-IHRRRGAJSA-N 2 1 289.395 -0.347 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001365811592 895126623 /nfs/dbraw/zinc/12/66/23/895126623.db2.gz ITPHIHPJOXGWTJ-UTUOFQBUSA-N 2 1 296.415 -0.171 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001365835929 895130577 /nfs/dbraw/zinc/13/05/77/895130577.db2.gz CIBDJKWTOJHQAR-IJLUTSLNSA-N 2 1 282.388 -0.689 20 0 CBADMP CC(C)[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001365954472 895150130 /nfs/dbraw/zinc/15/01/30/895150130.db2.gz DGWFJXZXHLAHTG-AWEZNQCLSA-N 2 1 298.431 -0.541 20 0 CBADMP CC(C)[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001365954472 895150136 /nfs/dbraw/zinc/15/01/36/895150136.db2.gz DGWFJXZXHLAHTG-AWEZNQCLSA-N 2 1 298.431 -0.541 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001365992339 895167138 /nfs/dbraw/zinc/16/71/38/895167138.db2.gz GGGYWGAVXCJXMM-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001365992339 895167143 /nfs/dbraw/zinc/16/71/43/895167143.db2.gz GGGYWGAVXCJXMM-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001365992339 895167149 /nfs/dbraw/zinc/16/71/49/895167149.db2.gz GGGYWGAVXCJXMM-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001366056776 895182595 /nfs/dbraw/zinc/18/25/95/895182595.db2.gz RKTHEAQBYUSHAP-CYBMUJFWSA-N 2 1 285.388 -0.815 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001366097349 895188593 /nfs/dbraw/zinc/18/85/93/895188593.db2.gz GVMMOZGLSAARPR-MELADBBJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366104465 895190387 /nfs/dbraw/zinc/19/03/87/895190387.db2.gz KBAPQUQVEHKIGT-MELADBBJSA-N 2 1 299.415 -0.474 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001366116025 895197640 /nfs/dbraw/zinc/19/76/40/895197640.db2.gz VHBWGWQCBVCPMR-XYPYZODXSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001366133479 895200393 /nfs/dbraw/zinc/20/03/93/895200393.db2.gz CAISJCASCPUJDK-HAQNSBGRSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001366128594 895200923 /nfs/dbraw/zinc/20/09/23/895200923.db2.gz BDBZITWUONXDDC-HAQNSBGRSA-N 2 1 294.403 -0.108 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001366142897 895204297 /nfs/dbraw/zinc/20/42/97/895204297.db2.gz IFMYTUWLSCGZJG-YHWZYXNKSA-N 2 1 296.415 -0.077 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001366142897 895204311 /nfs/dbraw/zinc/20/43/11/895204311.db2.gz IFMYTUWLSCGZJG-YHWZYXNKSA-N 2 1 296.415 -0.077 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001366142897 895204322 /nfs/dbraw/zinc/20/43/22/895204322.db2.gz IFMYTUWLSCGZJG-YHWZYXNKSA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)N(C)C ZINC001366156003 895207858 /nfs/dbraw/zinc/20/78/58/895207858.db2.gz QZHBFAAIMDNIOB-WUHRBBMRSA-N 2 1 296.415 -0.206 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001366165333 895212802 /nfs/dbraw/zinc/21/28/02/895212802.db2.gz NSQPVGBBYIEMFO-RWMBFGLXSA-N 2 1 296.415 -0.301 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001366259940 895238943 /nfs/dbraw/zinc/23/89/43/895238943.db2.gz BHOGALJMQLDUFB-VXGBXAGGSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ncnn1C ZINC001366274109 895254139 /nfs/dbraw/zinc/25/41/39/895254139.db2.gz KZOPGOZNDJLUHN-QJPTWQEYSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ncnn1C ZINC001366274109 895254151 /nfs/dbraw/zinc/25/41/51/895254151.db2.gz KZOPGOZNDJLUHN-QJPTWQEYSA-N 2 1 294.403 -0.250 20 0 CBADMP CC[C@@H]([NH2+][C@H](C)CNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001366281499 895257788 /nfs/dbraw/zinc/25/77/88/895257788.db2.gz AWLROGLCHABJNL-ZYHUDNBSSA-N 2 1 284.404 -0.171 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001366291561 895263763 /nfs/dbraw/zinc/26/37/63/895263763.db2.gz QLPWOHYXYBEOSI-JQWIXIFHSA-N 2 1 297.407 -0.609 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)C1 ZINC001366320341 895275911 /nfs/dbraw/zinc/27/59/11/895275911.db2.gz ODLPPXCXBHHJSX-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001366334126 895280574 /nfs/dbraw/zinc/28/05/74/895280574.db2.gz LMZNPQONFNGCJB-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001366347407 895288722 /nfs/dbraw/zinc/28/87/22/895288722.db2.gz QMEFAJFOMRGLCB-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@H]([NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001366357664 895289020 /nfs/dbraw/zinc/28/90/20/895289020.db2.gz MFTHUDANQQWPHH-KOLCDFICSA-N 2 1 281.360 -0.450 20 0 CBADMP CCN(CC)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001366358125 895290087 /nfs/dbraw/zinc/29/00/87/895290087.db2.gz NDMVLYQSBKAZDL-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001366346524 895290569 /nfs/dbraw/zinc/29/05/69/895290569.db2.gz ULMVYQDYDRCSDH-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001366392214 895307501 /nfs/dbraw/zinc/30/75/01/895307501.db2.gz XNQYRHKVJBTUNO-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001366411980 895315834 /nfs/dbraw/zinc/31/58/34/895315834.db2.gz SCFJKZSFNCFXIP-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001366452767 895325806 /nfs/dbraw/zinc/32/58/06/895325806.db2.gz NNCKXXHOUXJCKL-DGCLKSJQSA-N 2 1 294.403 -0.106 20 0 CBADMP CN(CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC(N)=O ZINC001366535924 895363932 /nfs/dbraw/zinc/36/39/32/895363932.db2.gz IBRMRLUYROWXPM-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001366542189 895371390 /nfs/dbraw/zinc/37/13/90/895371390.db2.gz TYEIPJZPFNVYER-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001366542189 895371406 /nfs/dbraw/zinc/37/14/06/895371406.db2.gz TYEIPJZPFNVYER-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)[C@@H]2CCNC2=O)C1 ZINC001366565735 895383652 /nfs/dbraw/zinc/38/36/52/895383652.db2.gz LMCWEKOFOQDWHY-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)[C@@H]2CCNC2=O)C1 ZINC001366565735 895383672 /nfs/dbraw/zinc/38/36/72/895383672.db2.gz LMCWEKOFOQDWHY-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001366565735 895383691 /nfs/dbraw/zinc/38/36/91/895383691.db2.gz LMCWEKOFOQDWHY-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001366565735 895383709 /nfs/dbraw/zinc/38/37/09/895383709.db2.gz LMCWEKOFOQDWHY-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001366598604 895401491 /nfs/dbraw/zinc/40/14/91/895401491.db2.gz XFHMQJRFDYDAMI-NSHDSACASA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001366598604 895401504 /nfs/dbraw/zinc/40/15/04/895401504.db2.gz XFHMQJRFDYDAMI-NSHDSACASA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001366598604 895401509 /nfs/dbraw/zinc/40/15/09/895401509.db2.gz XFHMQJRFDYDAMI-NSHDSACASA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001366598604 895401516 /nfs/dbraw/zinc/40/15/16/895401516.db2.gz XFHMQJRFDYDAMI-NSHDSACASA-N 2 1 272.393 -0.362 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@@H](C)C(=O)NC ZINC001366628579 895413069 /nfs/dbraw/zinc/41/30/69/895413069.db2.gz MHCRNAZUWKITEY-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@@H](C)C(=O)NC ZINC001366628579 895413080 /nfs/dbraw/zinc/41/30/80/895413080.db2.gz MHCRNAZUWKITEY-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[C@@H](C)C(=O)NC ZINC001366628579 895413091 /nfs/dbraw/zinc/41/30/91/895413091.db2.gz MHCRNAZUWKITEY-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[C@@H](C)C(=O)NC ZINC001366628579 895413103 /nfs/dbraw/zinc/41/31/03/895413103.db2.gz MHCRNAZUWKITEY-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC(N)=O ZINC001366629607 895415088 /nfs/dbraw/zinc/41/50/88/895415088.db2.gz UOPCCDRTKGBXNO-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC(N)=O ZINC001366629607 895415090 /nfs/dbraw/zinc/41/50/90/895415090.db2.gz UOPCCDRTKGBXNO-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC(N)=O ZINC001366629607 895415091 /nfs/dbraw/zinc/41/50/91/895415091.db2.gz UOPCCDRTKGBXNO-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC(N)=O ZINC001366629607 895415094 /nfs/dbraw/zinc/41/50/94/895415094.db2.gz UOPCCDRTKGBXNO-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001366653802 895422366 /nfs/dbraw/zinc/42/23/66/895422366.db2.gz BLZBYWZDZWEOAS-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001366653806 895422554 /nfs/dbraw/zinc/42/25/54/895422554.db2.gz BLZBYWZDZWEOAS-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)Cn1ccnc1 ZINC001366674920 895426786 /nfs/dbraw/zinc/42/67/86/895426786.db2.gz GBBQYDHFCTVUBJ-MNOVXSKESA-N 2 1 279.344 -0.663 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001366688247 895431276 /nfs/dbraw/zinc/43/12/76/895431276.db2.gz IXFVGSUDUWHVQP-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001366741554 895442904 /nfs/dbraw/zinc/44/29/04/895442904.db2.gz HZLQHECHFUKSJG-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001366741554 895442911 /nfs/dbraw/zinc/44/29/11/895442911.db2.gz HZLQHECHFUKSJG-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001366741554 895442914 /nfs/dbraw/zinc/44/29/14/895442914.db2.gz HZLQHECHFUKSJG-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001366741554 895442919 /nfs/dbraw/zinc/44/29/19/895442919.db2.gz HZLQHECHFUKSJG-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP COC[C@H](C)[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001366732682 895445115 /nfs/dbraw/zinc/44/51/15/895445115.db2.gz MCBIONMPHNFIOU-JSGCOSHPSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@H](C)[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001366732682 895445119 /nfs/dbraw/zinc/44/51/19/895445119.db2.gz MCBIONMPHNFIOU-JSGCOSHPSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@H](C)[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001366732682 895445132 /nfs/dbraw/zinc/44/51/32/895445132.db2.gz MCBIONMPHNFIOU-JSGCOSHPSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@H](C)[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001366732682 895445136 /nfs/dbraw/zinc/44/51/36/895445136.db2.gz MCBIONMPHNFIOU-JSGCOSHPSA-N 2 1 299.415 -0.068 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)N(C)C ZINC001366782153 895460307 /nfs/dbraw/zinc/46/03/07/895460307.db2.gz ZOKUXUMEAZTWRZ-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001366776206 895460504 /nfs/dbraw/zinc/46/05/04/895460504.db2.gz RSQGVLXKCPVYHY-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001366836612 895466895 /nfs/dbraw/zinc/46/68/95/895466895.db2.gz GUDCNUDTBDKZLF-LBPRGKRZSA-N 2 1 293.371 -0.495 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001366836612 895466901 /nfs/dbraw/zinc/46/69/01/895466901.db2.gz GUDCNUDTBDKZLF-LBPRGKRZSA-N 2 1 293.371 -0.495 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001366851955 895469411 /nfs/dbraw/zinc/46/94/11/895469411.db2.gz IUXLUPCPAKZYFD-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001366876021 895477562 /nfs/dbraw/zinc/47/75/62/895477562.db2.gz XFAMDXYWGAHOLU-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001366876021 895477567 /nfs/dbraw/zinc/47/75/67/895477567.db2.gz XFAMDXYWGAHOLU-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001366876021 895477577 /nfs/dbraw/zinc/47/75/77/895477577.db2.gz XFAMDXYWGAHOLU-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP O=C(C[NH+]1CCCC1)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001366988272 895515355 /nfs/dbraw/zinc/51/53/55/895515355.db2.gz IGYZBIOXPHVRKG-CYBMUJFWSA-N 2 1 294.399 -0.591 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC1C[NH+]([C@H](C)C(=O)NC)C1 ZINC001366987647 895517334 /nfs/dbraw/zinc/51/73/34/895517334.db2.gz OHVBMCUULTVHSB-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@H](C)C(=O)NC)C1 ZINC001366987647 895517345 /nfs/dbraw/zinc/51/73/45/895517345.db2.gz OHVBMCUULTVHSB-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001366983882 895517490 /nfs/dbraw/zinc/51/74/90/895517490.db2.gz YRKSHGAHMZHHJP-NWDGAFQWSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001366983882 895517497 /nfs/dbraw/zinc/51/74/97/895517497.db2.gz YRKSHGAHMZHHJP-NWDGAFQWSA-N 2 1 296.415 -0.489 20 0 CBADMP COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001366993137 895520388 /nfs/dbraw/zinc/52/03/88/895520388.db2.gz LRMGRFCQWGJPAH-FQUUOJAGSA-N 2 1 297.399 -0.627 20 0 CBADMP COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001366993137 895520396 /nfs/dbraw/zinc/52/03/96/895520396.db2.gz LRMGRFCQWGJPAH-FQUUOJAGSA-N 2 1 297.399 -0.627 20 0 CBADMP COC[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001366993137 895520406 /nfs/dbraw/zinc/52/04/06/895520406.db2.gz LRMGRFCQWGJPAH-FQUUOJAGSA-N 2 1 297.399 -0.627 20 0 CBADMP COC[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001366993137 895520415 /nfs/dbraw/zinc/52/04/15/895520415.db2.gz LRMGRFCQWGJPAH-FQUUOJAGSA-N 2 1 297.399 -0.627 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001367015707 895529945 /nfs/dbraw/zinc/52/99/45/895529945.db2.gz MFYOKYLDULNQIP-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001367015707 895529961 /nfs/dbraw/zinc/52/99/61/895529961.db2.gz MFYOKYLDULNQIP-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001367037383 895543438 /nfs/dbraw/zinc/54/34/38/895543438.db2.gz DTAQAUKWEVAVBM-CYBMUJFWSA-N 2 1 294.403 -0.191 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001367037383 895543449 /nfs/dbraw/zinc/54/34/49/895543449.db2.gz DTAQAUKWEVAVBM-CYBMUJFWSA-N 2 1 294.403 -0.191 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001367037383 895543463 /nfs/dbraw/zinc/54/34/63/895543463.db2.gz DTAQAUKWEVAVBM-CYBMUJFWSA-N 2 1 294.403 -0.191 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001367034358 895543600 /nfs/dbraw/zinc/54/36/00/895543600.db2.gz AAJHKJZVKCYBKU-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001367034358 895543608 /nfs/dbraw/zinc/54/36/08/895543608.db2.gz AAJHKJZVKCYBKU-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001367034358 895543614 /nfs/dbraw/zinc/54/36/14/895543614.db2.gz AAJHKJZVKCYBKU-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001367060958 895554647 /nfs/dbraw/zinc/55/46/47/895554647.db2.gz HOOMAIYYJKQIKP-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001367060958 895554657 /nfs/dbraw/zinc/55/46/57/895554657.db2.gz HOOMAIYYJKQIKP-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001367060958 895554666 /nfs/dbraw/zinc/55/46/66/895554666.db2.gz HOOMAIYYJKQIKP-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001367060958 895554674 /nfs/dbraw/zinc/55/46/74/895554674.db2.gz HOOMAIYYJKQIKP-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001367077854 895555268 /nfs/dbraw/zinc/55/52/68/895555268.db2.gz RRTYQPRIDGSIQW-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001367077854 895555281 /nfs/dbraw/zinc/55/52/81/895555281.db2.gz RRTYQPRIDGSIQW-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001367065572 895555748 /nfs/dbraw/zinc/55/57/48/895555748.db2.gz RLVFEPHZSSMFQS-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001367065572 895555758 /nfs/dbraw/zinc/55/57/58/895555758.db2.gz RLVFEPHZSSMFQS-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001367065572 895555765 /nfs/dbraw/zinc/55/57/65/895555765.db2.gz RLVFEPHZSSMFQS-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001367065572 895555770 /nfs/dbraw/zinc/55/57/70/895555770.db2.gz RLVFEPHZSSMFQS-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+][C@H]1CCNC1=O ZINC001367110956 895565095 /nfs/dbraw/zinc/56/50/95/895565095.db2.gz HORQZMGJKWPJER-RYUDHWBXSA-N 2 1 293.371 -0.436 20 0 CBADMP CC[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001367128808 895570106 /nfs/dbraw/zinc/57/01/06/895570106.db2.gz RTXDFRZHGYOVAW-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001367140989 895574880 /nfs/dbraw/zinc/57/48/80/895574880.db2.gz OMORALKWSHWAAI-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001367221268 895584934 /nfs/dbraw/zinc/58/49/34/895584934.db2.gz POEXRXJSGSCQGN-GFCCVEGCSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1nnnn1C ZINC001367231400 895589479 /nfs/dbraw/zinc/58/94/79/895589479.db2.gz DYGZOFVUWRTPPJ-WDEREUQCSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1nnnn1C ZINC001367231397 895590160 /nfs/dbraw/zinc/59/01/60/895590160.db2.gz DYGZOFVUWRTPPJ-QWRGUYRKSA-N 2 1 295.391 -0.854 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367290012 895604303 /nfs/dbraw/zinc/60/43/03/895604303.db2.gz NQNGRDLYEHNAOQ-QWHCGFSZSA-N 2 1 298.431 -0.194 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001367486025 895642408 /nfs/dbraw/zinc/64/24/08/895642408.db2.gz NYBLDQFMTNGMKX-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001367491582 895644641 /nfs/dbraw/zinc/64/46/41/895644641.db2.gz WBEGQKUAUOIEOE-VXGBXAGGSA-N 2 1 284.404 -0.443 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001367491575 895644768 /nfs/dbraw/zinc/64/47/68/895644768.db2.gz WBEGQKUAUOIEOE-NWDGAFQWSA-N 2 1 284.404 -0.443 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)[C@H]1CCCNC1=O ZINC001367544276 895658381 /nfs/dbraw/zinc/65/83/81/895658381.db2.gz WHQCLMOKZSYBJH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)[C@H]1CCCNC1=O ZINC001367544276 895658391 /nfs/dbraw/zinc/65/83/91/895658391.db2.gz WHQCLMOKZSYBJH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)[C@H]1CCCNC1=O ZINC001367544276 895658396 /nfs/dbraw/zinc/65/83/96/895658396.db2.gz WHQCLMOKZSYBJH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)[C@H]1CCCNC1=O ZINC001367544276 895658404 /nfs/dbraw/zinc/65/84/04/895658404.db2.gz WHQCLMOKZSYBJH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001367545242 895658609 /nfs/dbraw/zinc/65/86/09/895658609.db2.gz INMHPUAAHHTEKA-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001367545242 895658613 /nfs/dbraw/zinc/65/86/13/895658613.db2.gz INMHPUAAHHTEKA-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367545242 895658617 /nfs/dbraw/zinc/65/86/17/895658617.db2.gz INMHPUAAHHTEKA-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367545242 895658623 /nfs/dbraw/zinc/65/86/23/895658623.db2.gz INMHPUAAHHTEKA-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)[C@@H]1CCCNC1=O ZINC001367544273 895658737 /nfs/dbraw/zinc/65/87/37/895658737.db2.gz WHQCLMOKZSYBJH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)[C@@H]1CCCNC1=O ZINC001367544273 895658741 /nfs/dbraw/zinc/65/87/41/895658741.db2.gz WHQCLMOKZSYBJH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)[C@@H]1CCCNC1=O ZINC001367544273 895658744 /nfs/dbraw/zinc/65/87/44/895658744.db2.gz WHQCLMOKZSYBJH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001367544273 895658748 /nfs/dbraw/zinc/65/87/48/895658748.db2.gz WHQCLMOKZSYBJH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)c1ncccn1 ZINC001367607260 895697888 /nfs/dbraw/zinc/69/78/88/895697888.db2.gz XJCPZPNFKHVRJO-VXGBXAGGSA-N 2 1 295.387 -0.444 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001367623300 895710906 /nfs/dbraw/zinc/71/09/06/895710906.db2.gz JFNHBIAMZXOBHM-ZYHUDNBSSA-N 2 1 282.344 -0.807 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001367623300 895710924 /nfs/dbraw/zinc/71/09/24/895710924.db2.gz JFNHBIAMZXOBHM-ZYHUDNBSSA-N 2 1 282.344 -0.807 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001367625277 895712274 /nfs/dbraw/zinc/71/22/74/895712274.db2.gz DPVCBYMYXYZGQC-STQMWFEESA-N 2 1 287.404 -0.570 20 0 CBADMP CO[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001367629501 895714324 /nfs/dbraw/zinc/71/43/24/895714324.db2.gz XAXGCPOAMXYSBH-CMPLNLGQSA-N 2 1 284.360 -0.707 20 0 CBADMP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001367645044 895721245 /nfs/dbraw/zinc/72/12/45/895721245.db2.gz RPRUPTQWXIPNSW-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001367714511 895757684 /nfs/dbraw/zinc/75/76/84/895757684.db2.gz ITHVBQDQCWUWCG-LLVKDONJSA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001367714511 895757697 /nfs/dbraw/zinc/75/76/97/895757697.db2.gz ITHVBQDQCWUWCG-LLVKDONJSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367708734 895760289 /nfs/dbraw/zinc/76/02/89/895760289.db2.gz ZRJJURWAAUNCPL-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)CCC[NH+](C)C ZINC001367752869 895792042 /nfs/dbraw/zinc/79/20/42/895792042.db2.gz HCOUHAFGLAWSJR-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367770365 895802003 /nfs/dbraw/zinc/80/20/03/895802003.db2.gz GYDNKZGAQIHHJY-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367770365 895802024 /nfs/dbraw/zinc/80/20/24/895802024.db2.gz GYDNKZGAQIHHJY-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP COC[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001367856762 895833625 /nfs/dbraw/zinc/83/36/25/895833625.db2.gz OPKDZBIYUASDAZ-YPMHNXCESA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001367856762 895833633 /nfs/dbraw/zinc/83/36/33/895833633.db2.gz OPKDZBIYUASDAZ-YPMHNXCESA-N 2 1 298.387 -0.365 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CN(C)[C@H]1CCNC1=O ZINC001367861359 895839514 /nfs/dbraw/zinc/83/95/14/895839514.db2.gz LJEVGRRTHSVZIU-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001367861359 895839534 /nfs/dbraw/zinc/83/95/34/895839534.db2.gz LJEVGRRTHSVZIU-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H]1CCNC1=O ZINC001367861359 895839542 /nfs/dbraw/zinc/83/95/42/895839542.db2.gz LJEVGRRTHSVZIU-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H]1CCNC1=O ZINC001367861359 895839553 /nfs/dbraw/zinc/83/95/53/895839553.db2.gz LJEVGRRTHSVZIU-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001367897851 895850472 /nfs/dbraw/zinc/85/04/72/895850472.db2.gz SZNLPAMKKVZPCF-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001367959839 895866932 /nfs/dbraw/zinc/86/69/32/895866932.db2.gz BFLPXVXEYHIUDC-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001367973772 895873182 /nfs/dbraw/zinc/87/31/82/895873182.db2.gz CGHROJVGSYRFKH-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001367973772 895873190 /nfs/dbraw/zinc/87/31/90/895873190.db2.gz CGHROJVGSYRFKH-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001367973772 895873196 /nfs/dbraw/zinc/87/31/96/895873196.db2.gz CGHROJVGSYRFKH-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001367973772 895873200 /nfs/dbraw/zinc/87/32/00/895873200.db2.gz CGHROJVGSYRFKH-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001368036358 895896973 /nfs/dbraw/zinc/89/69/73/895896973.db2.gz QFSQPWSSJRFFKG-MNOVXSKESA-N 2 1 280.372 -0.935 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001368064496 895900314 /nfs/dbraw/zinc/90/03/14/895900314.db2.gz NFFHVBXFUFMKIZ-OAHLLOKOSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001368172069 895929499 /nfs/dbraw/zinc/92/94/99/895929499.db2.gz FYVLQJAVCWISHS-SMDDNHRTSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001368172069 895929508 /nfs/dbraw/zinc/92/95/08/895929508.db2.gz FYVLQJAVCWISHS-SMDDNHRTSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](CC3CC3)C2)C1 ZINC001368244821 895939661 /nfs/dbraw/zinc/93/96/61/895939661.db2.gz FXYPYYDVJRNRRH-DZGCQCFKSA-N 2 1 297.399 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](CC3CC3)C2)C1 ZINC001368244821 895939673 /nfs/dbraw/zinc/93/96/73/895939673.db2.gz FXYPYYDVJRNRRH-DZGCQCFKSA-N 2 1 297.399 -0.720 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@H+](CC3CC3)C2)C1 ZINC001368244821 895939683 /nfs/dbraw/zinc/93/96/83/895939683.db2.gz FXYPYYDVJRNRRH-DZGCQCFKSA-N 2 1 297.399 -0.720 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CC3CC3)C2)C1 ZINC001368244821 895939694 /nfs/dbraw/zinc/93/96/94/895939694.db2.gz FXYPYYDVJRNRRH-DZGCQCFKSA-N 2 1 297.399 -0.720 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCCO)C1 ZINC001368244169 895940017 /nfs/dbraw/zinc/94/00/17/895940017.db2.gz IGIOXEPGUXMPEK-JSGCOSHPSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001368244169 895940029 /nfs/dbraw/zinc/94/00/29/895940029.db2.gz IGIOXEPGUXMPEK-JSGCOSHPSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001368244169 895940038 /nfs/dbraw/zinc/94/00/38/895940038.db2.gz IGIOXEPGUXMPEK-JSGCOSHPSA-N 2 1 285.388 -0.984 20 0 CBADMP CC(C)[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001368253489 895944439 /nfs/dbraw/zinc/94/44/39/895944439.db2.gz RAUSHFQEFUVVEP-GXTWGEPZSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001368253489 895944447 /nfs/dbraw/zinc/94/44/47/895944447.db2.gz RAUSHFQEFUVVEP-GXTWGEPZSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001368253489 895944456 /nfs/dbraw/zinc/94/44/56/895944456.db2.gz RAUSHFQEFUVVEP-GXTWGEPZSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001368253489 895944463 /nfs/dbraw/zinc/94/44/63/895944463.db2.gz RAUSHFQEFUVVEP-GXTWGEPZSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001368253489 895944470 /nfs/dbraw/zinc/94/44/70/895944470.db2.gz RAUSHFQEFUVVEP-GXTWGEPZSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001368253501 895945806 /nfs/dbraw/zinc/94/58/06/895945806.db2.gz RAUSHFQEFUVVEP-OCCSQVGLSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001368253501 895945790 /nfs/dbraw/zinc/94/57/90/895945790.db2.gz RAUSHFQEFUVVEP-OCCSQVGLSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001368253501 895945798 /nfs/dbraw/zinc/94/57/98/895945798.db2.gz RAUSHFQEFUVVEP-OCCSQVGLSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001368253501 895945813 /nfs/dbraw/zinc/94/58/13/895945813.db2.gz RAUSHFQEFUVVEP-OCCSQVGLSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001368253501 895945817 /nfs/dbraw/zinc/94/58/17/895945817.db2.gz RAUSHFQEFUVVEP-OCCSQVGLSA-N 2 1 285.388 -0.722 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001368262570 895949723 /nfs/dbraw/zinc/94/97/23/895949723.db2.gz PQKMMOFHHMKUIG-TZMCWYRMSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001368262570 895949725 /nfs/dbraw/zinc/94/97/25/895949725.db2.gz PQKMMOFHHMKUIG-TZMCWYRMSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001368262570 895949734 /nfs/dbraw/zinc/94/97/34/895949734.db2.gz PQKMMOFHHMKUIG-TZMCWYRMSA-N 2 1 285.388 -0.984 20 0 CBADMP O=C(NC[C@]1(O)CC[N@H+](CCO)C1)C12CCC[NH+]1CCC2 ZINC001368261406 895950287 /nfs/dbraw/zinc/95/02/87/895950287.db2.gz NUBAUQIVCGWTOU-CQSZACIVSA-N 2 1 297.399 -0.840 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001368395226 895998124 /nfs/dbraw/zinc/99/81/24/895998124.db2.gz BMDHNOAAPVEFSA-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001368395226 895998132 /nfs/dbraw/zinc/99/81/32/895998132.db2.gz BMDHNOAAPVEFSA-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001368535644 896028838 /nfs/dbraw/zinc/02/88/38/896028838.db2.gz NSRGFVBVPWERON-TXEJJXNPSA-N 2 1 284.404 -0.443 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001368570566 896038990 /nfs/dbraw/zinc/03/89/90/896038990.db2.gz IEQCQXRLVUWRJB-IJLUTSLNSA-N 2 1 293.371 -0.450 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)C1 ZINC001368656346 896056984 /nfs/dbraw/zinc/05/69/84/896056984.db2.gz OMJOFFDRFPCASV-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001368718583 896065261 /nfs/dbraw/zinc/06/52/61/896065261.db2.gz ULOCBWFHWYNNGB-RWMBFGLXSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001368748901 896076037 /nfs/dbraw/zinc/07/60/37/896076037.db2.gz MVHDSXPFNAOHNC-WDEREUQCSA-N 2 1 295.387 -0.190 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC)[C@@H]1C)[NH+](C)C ZINC001368783905 896078570 /nfs/dbraw/zinc/07/85/70/896078570.db2.gz FXMZIMDCIMCFSQ-WOPDTQHZSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)[C@@H]1C)[NH+](C)C ZINC001368783905 896078582 /nfs/dbraw/zinc/07/85/82/896078582.db2.gz FXMZIMDCIMCFSQ-WOPDTQHZSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC)[C@@H]1C)[NH+](C)C ZINC001368789131 896081383 /nfs/dbraw/zinc/08/13/83/896081383.db2.gz FXMZIMDCIMCFSQ-GRYCIOLGSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)[C@@H]1C)[NH+](C)C ZINC001368789131 896081397 /nfs/dbraw/zinc/08/13/97/896081397.db2.gz FXMZIMDCIMCFSQ-GRYCIOLGSA-N 2 1 284.404 -0.348 20 0 CBADMP CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001368818214 896088615 /nfs/dbraw/zinc/08/86/15/896088615.db2.gz XNQNQZCQHVNWTQ-BPCQOVAHSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[NH+](CC)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001452810328 914036216 /nfs/dbraw/zinc/03/62/16/914036216.db2.gz GZJLYMSALMGLMZ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001368988251 896131416 /nfs/dbraw/zinc/13/14/16/896131416.db2.gz QVNQFCKHOYUUJG-FRRDWIJNSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@@H](O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001368988251 896131424 /nfs/dbraw/zinc/13/14/24/896131424.db2.gz QVNQFCKHOYUUJG-FRRDWIJNSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@@H](O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001368988251 896131432 /nfs/dbraw/zinc/13/14/32/896131432.db2.gz QVNQFCKHOYUUJG-FRRDWIJNSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001369074990 896147876 /nfs/dbraw/zinc/14/78/76/896147876.db2.gz MSHCEZOALXQOTO-DGCLKSJQSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001369101129 896153539 /nfs/dbraw/zinc/15/35/39/896153539.db2.gz QJUMCRVGFJTFLY-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001369179644 896167266 /nfs/dbraw/zinc/16/72/66/896167266.db2.gz MGNUFJDFWLPVSZ-AVGNSLFASA-N 2 1 296.415 -0.441 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001369179648 896167784 /nfs/dbraw/zinc/16/77/84/896167784.db2.gz MGNUFJDFWLPVSZ-JHJVBQTASA-N 2 1 296.415 -0.441 20 0 CBADMP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001369263924 896185137 /nfs/dbraw/zinc/18/51/37/896185137.db2.gz QUMFUTRSSFZUSY-WDEREUQCSA-N 2 1 297.407 -0.513 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001369282240 896187250 /nfs/dbraw/zinc/18/72/50/896187250.db2.gz AKDLUOVGUMIPEA-NSHDSACASA-N 2 1 295.387 -0.072 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001369283458 896188398 /nfs/dbraw/zinc/18/83/98/896188398.db2.gz AWZVPHUBTQZMFO-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001369299850 896191268 /nfs/dbraw/zinc/19/12/68/896191268.db2.gz CGZFTDUUBCHLCR-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001452819624 914042381 /nfs/dbraw/zinc/04/23/81/914042381.db2.gz ZXYLXGPDIZJFSL-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001369307553 896196133 /nfs/dbraw/zinc/19/61/33/896196133.db2.gz HTVYYJFRSQLLPU-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369312473 896201142 /nfs/dbraw/zinc/20/11/42/896201142.db2.gz ZUXICFUHZNKASH-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001369516863 896309918 /nfs/dbraw/zinc/30/99/18/896309918.db2.gz TZOLOEOHCFUXGS-CHWSQXEVSA-N 2 1 287.404 -0.928 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369516863 896309932 /nfs/dbraw/zinc/30/99/32/896309932.db2.gz TZOLOEOHCFUXGS-CHWSQXEVSA-N 2 1 287.404 -0.928 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369516863 896309946 /nfs/dbraw/zinc/30/99/46/896309946.db2.gz TZOLOEOHCFUXGS-CHWSQXEVSA-N 2 1 287.404 -0.928 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001370058405 896398987 /nfs/dbraw/zinc/39/89/87/896398987.db2.gz DLQWSLAEHQHLFT-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001370058405 896399000 /nfs/dbraw/zinc/39/90/00/896399000.db2.gz DLQWSLAEHQHLFT-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001370230158 896413862 /nfs/dbraw/zinc/41/38/62/896413862.db2.gz VBIZRZXYQYGGKK-ZYHUDNBSSA-N 2 1 282.388 -0.702 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001370676714 896476253 /nfs/dbraw/zinc/47/62/53/896476253.db2.gz JQIFXXMFYXUROK-QNWHQSFQSA-N 2 1 296.415 -0.301 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001370716683 896487305 /nfs/dbraw/zinc/48/73/05/896487305.db2.gz YDOHJQZGWTVQRT-BETUJISGSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001370807566 896505646 /nfs/dbraw/zinc/50/56/46/896505646.db2.gz LXIBGFLCPYSIHN-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)NCc1nnnn1C ZINC001371235637 896581348 /nfs/dbraw/zinc/58/13/48/896581348.db2.gz JQEIHCCLXHBGKN-QWRGUYRKSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCCCN1C)NCc1nnnn1C ZINC001371235637 896581362 /nfs/dbraw/zinc/58/13/62/896581362.db2.gz JQEIHCCLXHBGKN-QWRGUYRKSA-N 2 1 295.391 -0.711 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001371321551 896591922 /nfs/dbraw/zinc/59/19/22/896591922.db2.gz RGASNZSQQNZGPB-MNOVXSKESA-N 2 1 270.377 -0.689 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001371408228 896606867 /nfs/dbraw/zinc/60/68/67/896606867.db2.gz NLRQSQGGPAWEJS-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001371408228 896606870 /nfs/dbraw/zinc/60/68/70/896606870.db2.gz NLRQSQGGPAWEJS-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001371526762 896629895 /nfs/dbraw/zinc/62/98/95/896629895.db2.gz CIYUITMNXBSUKI-NSHDSACASA-N 2 1 295.391 -0.758 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001371572971 896639594 /nfs/dbraw/zinc/63/95/94/896639594.db2.gz WZOJFUGEALSIBT-VXGBXAGGSA-N 2 1 293.371 -0.497 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001371612084 896644970 /nfs/dbraw/zinc/64/49/70/896644970.db2.gz FJQWSBNULUWPBR-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001371661510 896647067 /nfs/dbraw/zinc/64/70/67/896647067.db2.gz WONUTKZRMHGEQF-VXGBXAGGSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001371661231 896647280 /nfs/dbraw/zinc/64/72/80/896647280.db2.gz UXEAEEFSDSYQLM-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001371736281 896656733 /nfs/dbraw/zinc/65/67/33/896656733.db2.gz UTXRAQQIRGAVBI-YPMHNXCESA-N 2 1 294.403 -0.106 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCNC1=O ZINC001371968695 896697633 /nfs/dbraw/zinc/69/76/33/896697633.db2.gz IPCGWRRRLNGPIV-QWHCGFSZSA-N 2 1 294.399 -0.735 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCNC1=O ZINC001371968695 896697638 /nfs/dbraw/zinc/69/76/38/896697638.db2.gz IPCGWRRRLNGPIV-QWHCGFSZSA-N 2 1 294.399 -0.735 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001372028980 896711300 /nfs/dbraw/zinc/71/13/00/896711300.db2.gz MDLUYNYPDRPRMO-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001372028980 896711318 /nfs/dbraw/zinc/71/13/18/896711318.db2.gz MDLUYNYPDRPRMO-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC)[NH+](C)C ZINC001372108101 896726877 /nfs/dbraw/zinc/72/68/77/896726877.db2.gz LBROQSWYZIRTQV-MNOVXSKESA-N 2 1 272.393 -0.491 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC)[NH+](C)C ZINC001372108101 896726886 /nfs/dbraw/zinc/72/68/86/896726886.db2.gz LBROQSWYZIRTQV-MNOVXSKESA-N 2 1 272.393 -0.491 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001372104490 896729244 /nfs/dbraw/zinc/72/92/44/896729244.db2.gz UNAACWFTRLXLNS-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001372104490 896729257 /nfs/dbraw/zinc/72/92/57/896729257.db2.gz UNAACWFTRLXLNS-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001372104490 896729263 /nfs/dbraw/zinc/72/92/63/896729263.db2.gz UNAACWFTRLXLNS-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001372104490 896729271 /nfs/dbraw/zinc/72/92/71/896729271.db2.gz UNAACWFTRLXLNS-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP Cn1cc(CC[N@@H+](C)CCNC(=O)CC[NH+](C)C)cn1 ZINC001372146747 896735022 /nfs/dbraw/zinc/73/50/22/896735022.db2.gz AVAGBZZKHALLQB-UHFFFAOYSA-N 2 1 281.404 -0.038 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](C)[C@@H]1CCN(CC)C1=O)[NH+](C)C ZINC001372189986 896743259 /nfs/dbraw/zinc/74/32/59/896743259.db2.gz PPGYTVGHMBUJNT-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@@H]1CCN(CC)C1=O)[NH+](C)C ZINC001372189986 896743265 /nfs/dbraw/zinc/74/32/65/896743265.db2.gz PPGYTVGHMBUJNT-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC1CC1 ZINC001372478794 896789801 /nfs/dbraw/zinc/78/98/01/896789801.db2.gz ZWJRQXSEIYSTMA-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC1CC1 ZINC001372478794 896789809 /nfs/dbraw/zinc/78/98/09/896789809.db2.gz ZWJRQXSEIYSTMA-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NC1CC1 ZINC001372478794 896789816 /nfs/dbraw/zinc/78/98/16/896789816.db2.gz ZWJRQXSEIYSTMA-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NC1CC1 ZINC001372478794 896789826 /nfs/dbraw/zinc/78/98/26/896789826.db2.gz ZWJRQXSEIYSTMA-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC001372541603 896806532 /nfs/dbraw/zinc/80/65/32/896806532.db2.gz PGHDKNYYBWCIFM-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC001372541603 896806545 /nfs/dbraw/zinc/80/65/45/896806545.db2.gz PGHDKNYYBWCIFM-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC)[NH+](C)C ZINC001372574285 896813686 /nfs/dbraw/zinc/81/36/86/896813686.db2.gz ZUOBJOLAOSDFMS-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC)[NH+](C)C ZINC001372574285 896813704 /nfs/dbraw/zinc/81/37/04/896813704.db2.gz ZUOBJOLAOSDFMS-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@@H](C)C(N)=O ZINC001372573064 896814215 /nfs/dbraw/zinc/81/42/15/896814215.db2.gz FQBDMKMQKXXHQR-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@@H](C)C(N)=O ZINC001372573064 896814221 /nfs/dbraw/zinc/81/42/21/896814221.db2.gz FQBDMKMQKXXHQR-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001372573064 896814233 /nfs/dbraw/zinc/81/42/33/896814233.db2.gz FQBDMKMQKXXHQR-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001372573064 896814243 /nfs/dbraw/zinc/81/42/43/896814243.db2.gz FQBDMKMQKXXHQR-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001372624337 896825795 /nfs/dbraw/zinc/82/57/95/896825795.db2.gz JHCGETCOPGUVIT-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001372673715 896835176 /nfs/dbraw/zinc/83/51/76/896835176.db2.gz RIIXVDIYUNEIHO-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP COC[C@H](O)C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001372774815 896858798 /nfs/dbraw/zinc/85/87/98/896858798.db2.gz GBXLZFPAXNNBGK-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001372774815 896858803 /nfs/dbraw/zinc/85/88/03/896858803.db2.gz GBXLZFPAXNNBGK-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001372774815 896858817 /nfs/dbraw/zinc/85/88/17/896858817.db2.gz GBXLZFPAXNNBGK-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001372855917 896891491 /nfs/dbraw/zinc/89/14/91/896891491.db2.gz AXAZGDOWGYDXHL-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1nnnn1C)[NH+](C)C ZINC001372932331 896903338 /nfs/dbraw/zinc/90/33/38/896903338.db2.gz AIERTAWPSLZWCP-GHMZBOCLSA-N 2 1 297.407 -0.341 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(N)=O ZINC001372946259 896912540 /nfs/dbraw/zinc/91/25/40/896912540.db2.gz MCBAMLRDFIJLAF-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001372971156 896915384 /nfs/dbraw/zinc/91/53/84/896915384.db2.gz AJARGYXYTSXHHB-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC[C@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC001373289589 896966195 /nfs/dbraw/zinc/96/61/95/896966195.db2.gz INTRJHYSDRAKBV-GFCCVEGCSA-N 2 1 296.415 -0.406 20 0 CBADMP C[N@H+](CCCO)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001373280561 896967778 /nfs/dbraw/zinc/96/77/78/896967778.db2.gz QVURAUNGEINKSH-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP C[N@@H+](CCCO)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001373280561 896967780 /nfs/dbraw/zinc/96/77/80/896967780.db2.gz QVURAUNGEINKSH-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCCO)C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001373280561 896967790 /nfs/dbraw/zinc/96/77/90/896967790.db2.gz QVURAUNGEINKSH-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCCO)C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001373280561 896967792 /nfs/dbraw/zinc/96/77/92/896967792.db2.gz QVURAUNGEINKSH-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001373384099 896992023 /nfs/dbraw/zinc/99/20/23/896992023.db2.gz XPCKJOWUYHKLHO-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001373384099 896992035 /nfs/dbraw/zinc/99/20/35/896992035.db2.gz XPCKJOWUYHKLHO-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+](CC)CC(=O)NCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001373459069 897020552 /nfs/dbraw/zinc/02/05/52/897020552.db2.gz OAAKPZMDYGURLH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001373594030 897062249 /nfs/dbraw/zinc/06/22/49/897062249.db2.gz KBFSPFVTTRATMQ-YNEHKIRRSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001373594030 897062268 /nfs/dbraw/zinc/06/22/68/897062268.db2.gz KBFSPFVTTRATMQ-YNEHKIRRSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)CC)C1)[NH+](C)C ZINC001373613955 897068280 /nfs/dbraw/zinc/06/82/80/897068280.db2.gz UPWFOKQZDYXFOB-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)CC)C1)[NH+](C)C ZINC001373613955 897068296 /nfs/dbraw/zinc/06/82/96/897068296.db2.gz UPWFOKQZDYXFOB-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001373605458 897070565 /nfs/dbraw/zinc/07/05/65/897070565.db2.gz DMTMZXCVQBURBZ-OLZOCXBDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+](CC(=O)N[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001373629886 897079515 /nfs/dbraw/zinc/07/95/15/897079515.db2.gz BTAVQVGIEYZBGB-DGCLKSJQSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001373629886 897079527 /nfs/dbraw/zinc/07/95/27/897079527.db2.gz BTAVQVGIEYZBGB-DGCLKSJQSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001373629886 897079538 /nfs/dbraw/zinc/07/95/38/897079538.db2.gz BTAVQVGIEYZBGB-DGCLKSJQSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001373629886 897079548 /nfs/dbraw/zinc/07/95/48/897079548.db2.gz BTAVQVGIEYZBGB-DGCLKSJQSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001373896721 897133988 /nfs/dbraw/zinc/13/39/88/897133988.db2.gz JOCYMSYIBLYSEV-ABAIWWIYSA-N 2 1 296.415 -0.312 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001373896732 897135509 /nfs/dbraw/zinc/13/55/09/897135509.db2.gz JOCYMSYIBLYSEV-IAQYHMDHSA-N 2 1 296.415 -0.312 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001374271410 897202764 /nfs/dbraw/zinc/20/27/64/897202764.db2.gz NBWRIZAGAHNSJW-RWMBFGLXSA-N 2 1 287.404 -0.476 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001374530722 897246016 /nfs/dbraw/zinc/24/60/16/897246016.db2.gz QOUPPSGUUBTOMS-NSHDSACASA-N 2 1 270.377 -0.783 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001374530722 897246036 /nfs/dbraw/zinc/24/60/36/897246036.db2.gz QOUPPSGUUBTOMS-NSHDSACASA-N 2 1 270.377 -0.783 20 0 CBADMP CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374532361 897246754 /nfs/dbraw/zinc/24/67/54/897246754.db2.gz VTHBNKWNQDTLGO-UHFFFAOYSA-N 2 1 298.431 -0.193 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374532361 897246766 /nfs/dbraw/zinc/24/67/66/897246766.db2.gz VTHBNKWNQDTLGO-UHFFFAOYSA-N 2 1 298.431 -0.193 20 0 CBADMP CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001374660364 897334597 /nfs/dbraw/zinc/33/45/97/897334597.db2.gz XXHZUGHWMRUWPN-DGCLKSJQSA-N 2 1 280.372 -0.159 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nonc1C)[NH+](C)C ZINC001374670880 897339105 /nfs/dbraw/zinc/33/91/05/897339105.db2.gz NBWDPGVXEGSEPC-JQWIXIFHSA-N 2 1 299.375 -0.715 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccccn1 ZINC001374685915 897342124 /nfs/dbraw/zinc/34/21/24/897342124.db2.gz QKNBHNBZDZIWCE-CQSZACIVSA-N 2 1 294.399 -0.012 20 0 CBADMP C[NH+](C)CCC(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001374733004 897361265 /nfs/dbraw/zinc/36/12/65/897361265.db2.gz CMEXRYGWXHUXPH-GFCCVEGCSA-N 2 1 282.388 -0.641 20 0 CBADMP C[NH+](C)CCCC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001374749923 897370869 /nfs/dbraw/zinc/37/08/69/897370869.db2.gz ARBAQKWQKORDND-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001374774348 897382103 /nfs/dbraw/zinc/38/21/03/897382103.db2.gz GNUKMBMUQXHHCN-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001374774347 897383973 /nfs/dbraw/zinc/38/39/73/897383973.db2.gz GNUKMBMUQXHHCN-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374811303 897400629 /nfs/dbraw/zinc/40/06/29/897400629.db2.gz UHQYKRKMHNWMST-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001374827468 897404847 /nfs/dbraw/zinc/40/48/47/897404847.db2.gz IROGMQUWZCHFGS-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374842960 897407573 /nfs/dbraw/zinc/40/75/73/897407573.db2.gz QBRLNEREWCMRSR-IJLUTSLNSA-N 2 1 273.377 -0.960 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001375098159 897479648 /nfs/dbraw/zinc/47/96/48/897479648.db2.gz ILCOBMBXXYHKPB-GHMZBOCLSA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001375098159 897479654 /nfs/dbraw/zinc/47/96/54/897479654.db2.gz ILCOBMBXXYHKPB-GHMZBOCLSA-N 2 1 272.393 -0.491 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H]1CCN(C)C1=O ZINC001375144649 897483668 /nfs/dbraw/zinc/48/36/68/897483668.db2.gz BPAAXLUTBPZLOR-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC001375144649 897483676 /nfs/dbraw/zinc/48/36/76/897483676.db2.gz BPAAXLUTBPZLOR-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001375144649 897483681 /nfs/dbraw/zinc/48/36/81/897483681.db2.gz BPAAXLUTBPZLOR-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001375834745 897610033 /nfs/dbraw/zinc/61/00/33/897610033.db2.gz GWTMPECIIXWKSA-DOMZBBRYSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001375834745 897610042 /nfs/dbraw/zinc/61/00/42/897610042.db2.gz GWTMPECIIXWKSA-DOMZBBRYSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001375892105 897619045 /nfs/dbraw/zinc/61/90/45/897619045.db2.gz BJXIJLNUQPWFFB-OAHLLOKOSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001376076875 897648182 /nfs/dbraw/zinc/64/81/82/897648182.db2.gz YQNMZOYODORUCW-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001376076875 897648186 /nfs/dbraw/zinc/64/81/86/897648186.db2.gz YQNMZOYODORUCW-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001376152508 897674578 /nfs/dbraw/zinc/67/45/78/897674578.db2.gz NYHYTTXUERFQGT-LBPRGKRZSA-N 2 1 280.376 -0.580 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC001376154926 897675209 /nfs/dbraw/zinc/67/52/09/897675209.db2.gz QTYUWRSFBDIJIH-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376154973 897676361 /nfs/dbraw/zinc/67/63/61/897676361.db2.gz SDBFQGDHWJDHOG-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376154973 897676372 /nfs/dbraw/zinc/67/63/72/897676372.db2.gz SDBFQGDHWJDHOG-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001376153356 897676759 /nfs/dbraw/zinc/67/67/59/897676759.db2.gz DTAQAUKWEVAVBM-ZDUSSCGKSA-N 2 1 294.403 -0.191 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C[C@@H](C)O)C2)CC[N@H+]1C ZINC001376169792 897680830 /nfs/dbraw/zinc/68/08/30/897680830.db2.gz MWOFZRRAXUHCIG-FRRDWIJNSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]([NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001376276676 897702343 /nfs/dbraw/zinc/70/23/43/897702343.db2.gz KHKBJYAZCWIBEV-CMPLNLGQSA-N 2 1 284.404 -0.315 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1 ZINC001376340726 897714579 /nfs/dbraw/zinc/71/45/79/897714579.db2.gz MDPKDWMXAVKHJC-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001376341481 897717429 /nfs/dbraw/zinc/71/74/29/897717429.db2.gz QYNCYJPBOIXKRO-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376348586 897717674 /nfs/dbraw/zinc/71/76/74/897717674.db2.gz XZMPPCAULNNGMO-AVGNSLFASA-N 2 1 285.388 -0.864 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376370401 897719262 /nfs/dbraw/zinc/71/92/62/897719262.db2.gz XVFTVNZKTLNRRQ-IJLUTSLNSA-N 2 1 282.388 -0.594 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001376397493 897722673 /nfs/dbraw/zinc/72/26/73/897722673.db2.gz DGINCWAWZSBZQK-SRVKXCTJSA-N 2 1 284.404 -0.171 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376488492 897756392 /nfs/dbraw/zinc/75/63/92/897756392.db2.gz GCRDZPKAOJQRLE-FQUUOJAGSA-N 2 1 299.415 -0.428 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001376505593 897762064 /nfs/dbraw/zinc/76/20/64/897762064.db2.gz WQHKVTGUYJLORR-CQSZACIVSA-N 2 1 285.388 -0.982 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001376505593 897762079 /nfs/dbraw/zinc/76/20/79/897762079.db2.gz WQHKVTGUYJLORR-CQSZACIVSA-N 2 1 285.388 -0.982 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376557008 897778153 /nfs/dbraw/zinc/77/81/53/897778153.db2.gz LPXUZDZUXFJIJV-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001376631326 897788143 /nfs/dbraw/zinc/78/81/43/897788143.db2.gz WCOLXCGPWWEFKR-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001376684437 897799746 /nfs/dbraw/zinc/79/97/46/897799746.db2.gz IKAJBXVDCNQXRU-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H](O)C[NH2+][C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001376750689 897832906 /nfs/dbraw/zinc/83/29/06/897832906.db2.gz FWVOTEPNDJPVLY-NXEZZACHSA-N 2 1 284.360 -0.175 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001376767241 897838491 /nfs/dbraw/zinc/83/84/91/897838491.db2.gz UKXNDPTZEUEPCK-WCQYABFASA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@@H]([NH2+][C@@H](C)CNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001376773551 897839742 /nfs/dbraw/zinc/83/97/42/897839742.db2.gz FXOSNMMXNUWIKS-GXSJLCMTSA-N 2 1 281.360 -0.450 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CCn1cncn1 ZINC001376802121 897848226 /nfs/dbraw/zinc/84/82/26/897848226.db2.gz OXLCVKIHWBCWDD-CHWSQXEVSA-N 2 1 294.403 -0.286 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001376801026 897848699 /nfs/dbraw/zinc/84/86/99/897848699.db2.gz MHJPDMHLQDTLSC-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001376871090 897877499 /nfs/dbraw/zinc/87/74/99/897877499.db2.gz YHTIDESYZOZSJZ-JQWIXIFHSA-N 2 1 293.371 -0.483 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001376886959 897885560 /nfs/dbraw/zinc/88/55/60/897885560.db2.gz ZYPSHZSZRHGMRI-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC001376910464 897886978 /nfs/dbraw/zinc/88/69/78/897886978.db2.gz JFXZYEXCYFGGEK-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001376910464 897886983 /nfs/dbraw/zinc/88/69/83/897886983.db2.gz JFXZYEXCYFGGEK-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001376910464 897886988 /nfs/dbraw/zinc/88/69/88/897886988.db2.gz JFXZYEXCYFGGEK-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001376934082 897898198 /nfs/dbraw/zinc/89/81/98/897898198.db2.gz ISLWCMMRADNSKG-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001376967816 897905024 /nfs/dbraw/zinc/90/50/24/897905024.db2.gz WKCXNRSMVUACEC-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001376967816 897905030 /nfs/dbraw/zinc/90/50/30/897905030.db2.gz WKCXNRSMVUACEC-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001376967816 897905034 /nfs/dbraw/zinc/90/50/34/897905034.db2.gz WKCXNRSMVUACEC-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377020671 897913291 /nfs/dbraw/zinc/91/32/91/897913291.db2.gz REBBTEJXBAJDIV-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001377020671 897913255 /nfs/dbraw/zinc/91/32/55/897913255.db2.gz REBBTEJXBAJDIV-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001377020671 897913272 /nfs/dbraw/zinc/91/32/72/897913272.db2.gz REBBTEJXBAJDIV-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@@H](C)C(N)=O)CC[N@@H+]1C ZINC001377158874 897956247 /nfs/dbraw/zinc/95/62/47/897956247.db2.gz CTUHBCJJTYLNFG-SDDRHHMPSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@@H](C)C(N)=O)CC[N@H+]1C ZINC001377158874 897956254 /nfs/dbraw/zinc/95/62/54/897956254.db2.gz CTUHBCJJTYLNFG-SDDRHHMPSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O)CC[NH+]1C ZINC001377158874 897956271 /nfs/dbraw/zinc/95/62/71/897956271.db2.gz CTUHBCJJTYLNFG-SDDRHHMPSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O)CC[NH+]1C ZINC001377158874 897956282 /nfs/dbraw/zinc/95/62/82/897956282.db2.gz CTUHBCJJTYLNFG-SDDRHHMPSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](C)[C@H]1CCCNC1=O)[NH+](C)C ZINC001377179891 897958799 /nfs/dbraw/zinc/95/87/99/897958799.db2.gz FQIJAFKNVFWJRR-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O)[NH+](C)C ZINC001377179891 897958806 /nfs/dbraw/zinc/95/88/06/897958806.db2.gz FQIJAFKNVFWJRR-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O)[NH+](C)C ZINC001377179895 897962402 /nfs/dbraw/zinc/96/24/02/897962402.db2.gz FQIJAFKNVFWJRR-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O)[NH+](C)C ZINC001377179895 897962411 /nfs/dbraw/zinc/96/24/11/897962411.db2.gz FQIJAFKNVFWJRR-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCCNC1=O ZINC001377231623 897975848 /nfs/dbraw/zinc/97/58/48/897975848.db2.gz UJXVKXMAGSTSSK-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCCNC1=O ZINC001377231623 897975860 /nfs/dbraw/zinc/97/58/60/897975860.db2.gz UJXVKXMAGSTSSK-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCCNC1=O ZINC001377231623 897975870 /nfs/dbraw/zinc/97/58/70/897975870.db2.gz UJXVKXMAGSTSSK-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CCCNC1=O ZINC001377231623 897975880 /nfs/dbraw/zinc/97/58/80/897975880.db2.gz UJXVKXMAGSTSSK-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001377268050 897994057 /nfs/dbraw/zinc/99/40/57/897994057.db2.gz ZZSAHIDMPIFSJE-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001377268050 897994066 /nfs/dbraw/zinc/99/40/66/897994066.db2.gz ZZSAHIDMPIFSJE-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C[C@H](C)OC)C1 ZINC001377264245 897995041 /nfs/dbraw/zinc/99/50/41/897995041.db2.gz AOSUECZLKSBXPQ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C[C@H](C)OC)C1 ZINC001377264245 897995049 /nfs/dbraw/zinc/99/50/49/897995049.db2.gz AOSUECZLKSBXPQ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)C[C@H](C)OC)C1 ZINC001377264245 897995059 /nfs/dbraw/zinc/99/50/59/897995059.db2.gz AOSUECZLKSBXPQ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)C[C@H](C)OC)C1 ZINC001377264245 897995068 /nfs/dbraw/zinc/99/50/68/897995068.db2.gz AOSUECZLKSBXPQ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001377316500 898006297 /nfs/dbraw/zinc/00/62/97/898006297.db2.gz CFJGFOIIBABAII-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001377316500 898006315 /nfs/dbraw/zinc/00/63/15/898006315.db2.gz CFJGFOIIBABAII-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N(C)C ZINC001377310473 898007121 /nfs/dbraw/zinc/00/71/21/898007121.db2.gz DOZYFSZDHDVMSD-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N(C)C ZINC001377310473 898007135 /nfs/dbraw/zinc/00/71/35/898007135.db2.gz DOZYFSZDHDVMSD-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)N(C)C ZINC001377310473 898007144 /nfs/dbraw/zinc/00/71/44/898007144.db2.gz DOZYFSZDHDVMSD-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)N(C)C ZINC001377310473 898007157 /nfs/dbraw/zinc/00/71/57/898007157.db2.gz DOZYFSZDHDVMSD-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001377359052 898022332 /nfs/dbraw/zinc/02/23/32/898022332.db2.gz ZPYRCWFHLXLVDH-CHWSQXEVSA-N 2 1 299.415 -0.738 20 0 CBADMP C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001377359061 898022642 /nfs/dbraw/zinc/02/26/42/898022642.db2.gz ZPYRCWFHLXLVDH-STQMWFEESA-N 2 1 299.415 -0.738 20 0 CBADMP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(=O)NC ZINC001377502940 898072576 /nfs/dbraw/zinc/07/25/76/898072576.db2.gz ZAPLNDHCAFEUKX-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(=O)NC ZINC001377502940 898072586 /nfs/dbraw/zinc/07/25/86/898072586.db2.gz ZAPLNDHCAFEUKX-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377523478 898074408 /nfs/dbraw/zinc/07/44/08/898074408.db2.gz KKEMDBBDKQEASE-AVGNSLFASA-N 2 1 287.404 -0.570 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001377574568 898088498 /nfs/dbraw/zinc/08/84/98/898088498.db2.gz CKACOYLQLBDBDH-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H]1CCN(CC)C1=O ZINC001377587545 898097778 /nfs/dbraw/zinc/09/77/78/898097778.db2.gz DINPGBSWZWSPLG-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001377756303 898128380 /nfs/dbraw/zinc/12/83/80/898128380.db2.gz BARVEJBJFGOTJQ-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001377849105 898145587 /nfs/dbraw/zinc/14/55/87/898145587.db2.gz MPJUVBWWOAGGGL-GHMZBOCLSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001377911964 898167891 /nfs/dbraw/zinc/16/78/91/898167891.db2.gz ORHNFJLBBSYZTB-MNOVXSKESA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001377911959 898169387 /nfs/dbraw/zinc/16/93/87/898169387.db2.gz ORHNFJLBBSYZTB-GHMZBOCLSA-N 2 1 295.391 -0.711 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001454619846 914236394 /nfs/dbraw/zinc/23/63/94/914236394.db2.gz RQDBVRAFIYVLMA-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001378077468 898226445 /nfs/dbraw/zinc/22/64/45/898226445.db2.gz SAKOAPNQWXAIOI-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001378077468 898226458 /nfs/dbraw/zinc/22/64/58/898226458.db2.gz SAKOAPNQWXAIOI-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](CC)C(N)=O)C1 ZINC001378076778 898227734 /nfs/dbraw/zinc/22/77/34/898227734.db2.gz DFOMQLPNLKVXOS-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](CC)C(N)=O)C1 ZINC001378076778 898227751 /nfs/dbraw/zinc/22/77/51/898227751.db2.gz DFOMQLPNLKVXOS-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@@H](CC)C(N)=O)C1 ZINC001378076778 898227766 /nfs/dbraw/zinc/22/77/66/898227766.db2.gz DFOMQLPNLKVXOS-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@@H](CC)C(N)=O)C1 ZINC001378076778 898227781 /nfs/dbraw/zinc/22/77/81/898227781.db2.gz DFOMQLPNLKVXOS-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001378077471 898228079 /nfs/dbraw/zinc/22/80/79/898228079.db2.gz SAKOAPNQWXAIOI-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001378077471 898228095 /nfs/dbraw/zinc/22/80/95/898228095.db2.gz SAKOAPNQWXAIOI-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCN([C@H](C)C(=O)NC)C1 ZINC001378138001 898251024 /nfs/dbraw/zinc/25/10/24/898251024.db2.gz HQAGYZWVGMTOGM-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001378138001 898251037 /nfs/dbraw/zinc/25/10/37/898251037.db2.gz HQAGYZWVGMTOGM-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001378138001 898251053 /nfs/dbraw/zinc/25/10/53/898251053.db2.gz HQAGYZWVGMTOGM-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001378138001 898251067 /nfs/dbraw/zinc/25/10/67/898251067.db2.gz HQAGYZWVGMTOGM-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001378138001 898251083 /nfs/dbraw/zinc/25/10/83/898251083.db2.gz HQAGYZWVGMTOGM-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)CN(C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001378145361 898255065 /nfs/dbraw/zinc/25/50/65/898255065.db2.gz QOHGSEXIQQAAKQ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001378145361 898255081 /nfs/dbraw/zinc/25/50/81/898255081.db2.gz QOHGSEXIQQAAKQ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001378145361 898255097 /nfs/dbraw/zinc/25/50/97/898255097.db2.gz QOHGSEXIQQAAKQ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001378145361 898255126 /nfs/dbraw/zinc/25/51/26/898255126.db2.gz QOHGSEXIQQAAKQ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001378181047 898263369 /nfs/dbraw/zinc/26/33/69/898263369.db2.gz FRIXZJCNRWPNHM-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001378181047 898263382 /nfs/dbraw/zinc/26/33/82/898263382.db2.gz FRIXZJCNRWPNHM-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001378181047 898263395 /nfs/dbraw/zinc/26/33/95/898263395.db2.gz FRIXZJCNRWPNHM-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001378181047 898263407 /nfs/dbraw/zinc/26/34/07/898263407.db2.gz FRIXZJCNRWPNHM-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)[C@@H]1CCNC1=O ZINC001378195661 898271211 /nfs/dbraw/zinc/27/12/11/898271211.db2.gz YJANAFAXFZKNLJ-VXGBXAGGSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)C[NH+]1CCCC1 ZINC001454623553 914237764 /nfs/dbraw/zinc/23/77/64/914237764.db2.gz SEQCNTUENIFTLG-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001378221768 898280164 /nfs/dbraw/zinc/28/01/64/898280164.db2.gz RGXCPATWOFMZNL-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001378221768 898280178 /nfs/dbraw/zinc/28/01/78/898280178.db2.gz RGXCPATWOFMZNL-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]CCO ZINC001378270100 898300514 /nfs/dbraw/zinc/30/05/14/898300514.db2.gz RIPUVWSEVXPQDZ-JTQLQIEISA-N 2 1 284.360 -0.174 20 0 CBADMP CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@@H]1CCNC1=O ZINC001378333588 898315619 /nfs/dbraw/zinc/31/56/19/898315619.db2.gz DLEQXUWLBMDQON-NWDGAFQWSA-N 2 1 284.404 -0.301 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001378344215 898321397 /nfs/dbraw/zinc/32/13/97/898321397.db2.gz OZSWNOHVJOMSDZ-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC ZINC001378569927 898355992 /nfs/dbraw/zinc/35/59/92/898355992.db2.gz UWLRLFBGOHVDSI-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC ZINC001378569921 898356507 /nfs/dbraw/zinc/35/65/07/898356507.db2.gz UWLRLFBGOHVDSI-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001378561303 898356606 /nfs/dbraw/zinc/35/66/06/898356606.db2.gz QKDLIMVAAYGGSL-WDEREUQCSA-N 2 1 296.415 -0.362 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378646156 898378083 /nfs/dbraw/zinc/37/80/83/898378083.db2.gz MWPKZHSLJUBSLZ-RYUDHWBXSA-N 2 1 284.404 -0.584 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001378655517 898380431 /nfs/dbraw/zinc/38/04/31/898380431.db2.gz ZDFBSRUCBJBKIE-JTQLQIEISA-N 2 1 281.360 -0.721 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001378658530 898381053 /nfs/dbraw/zinc/38/10/53/898381053.db2.gz SLMLYCZZQHRFJB-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001378658530 898381066 /nfs/dbraw/zinc/38/10/66/898381066.db2.gz SLMLYCZZQHRFJB-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001378779559 898408468 /nfs/dbraw/zinc/40/84/68/898408468.db2.gz XCRZFOIIONZYGC-QWRGUYRKSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001378773918 898409951 /nfs/dbraw/zinc/40/99/51/898409951.db2.gz DBHXMUJRWJBGGQ-GHMZBOCLSA-N 2 1 297.407 -0.513 20 0 CBADMP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001378773919 898410539 /nfs/dbraw/zinc/41/05/39/898410539.db2.gz DBHXMUJRWJBGGQ-WDEREUQCSA-N 2 1 297.407 -0.513 20 0 CBADMP 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 898420700 /nfs/dbraw/zinc/42/07/00/898420700.db2.gz YAXAEGVXMFKPBN-FPYNETTCSA-N 2 1 296.415 -0.315 20 0 CBADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001378841683 898423687 /nfs/dbraw/zinc/42/36/87/898423687.db2.gz QHMJHKSYRRCBGW-ZDEQEGDKSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378858038 898424683 /nfs/dbraw/zinc/42/46/83/898424683.db2.gz ZVAYMDAZUJSNQZ-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001378861982 898427079 /nfs/dbraw/zinc/42/70/79/898427079.db2.gz VKEYQEKQGRLORY-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)C[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001378935628 898434837 /nfs/dbraw/zinc/43/48/37/898434837.db2.gz DQRDMGUNXLGSJW-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP COCC[N@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001379108872 898465321 /nfs/dbraw/zinc/46/53/21/898465321.db2.gz QKPIBWSOZFBERS-UHFFFAOYSA-N 2 1 287.404 -0.255 20 0 CBADMP COCC[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001379108872 898465330 /nfs/dbraw/zinc/46/53/30/898465330.db2.gz QKPIBWSOZFBERS-UHFFFAOYSA-N 2 1 287.404 -0.255 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379100301 898465966 /nfs/dbraw/zinc/46/59/66/898465966.db2.gz GGVFKSNGAVOXRQ-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)[C@@H]2CCNC2=O)C1 ZINC001379100856 898467173 /nfs/dbraw/zinc/46/71/73/898467173.db2.gz UAXGCARXSUSCLG-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)[C@@H]2CCNC2=O)C1 ZINC001379100856 898467184 /nfs/dbraw/zinc/46/71/84/898467184.db2.gz UAXGCARXSUSCLG-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001379100856 898467190 /nfs/dbraw/zinc/46/71/90/898467190.db2.gz UAXGCARXSUSCLG-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001379100856 898467203 /nfs/dbraw/zinc/46/72/03/898467203.db2.gz UAXGCARXSUSCLG-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001379134326 898472379 /nfs/dbraw/zinc/47/23/79/898472379.db2.gz JFCOEEBOPHQNMQ-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnns1 ZINC001379188134 898496686 /nfs/dbraw/zinc/49/66/86/898496686.db2.gz LTAZRMPABZGEAU-KOLCDFICSA-N 2 1 299.400 -0.801 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001379191099 898497758 /nfs/dbraw/zinc/49/77/58/898497758.db2.gz PADIWMOWPJNEIH-GXSJLCMTSA-N 2 1 281.360 -0.498 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001379325720 898552235 /nfs/dbraw/zinc/55/22/35/898552235.db2.gz LHFINHKHKIYTHV-ZYHUDNBSSA-N 2 1 293.371 -0.483 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001379332394 898554405 /nfs/dbraw/zinc/55/44/05/898554405.db2.gz ZXSVKZKVAWHDJO-ZJUUUORDSA-N 2 1 281.360 -0.498 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379358829 898573337 /nfs/dbraw/zinc/57/33/37/898573337.db2.gz ODPRBTXDAWMHMK-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001379389188 898598174 /nfs/dbraw/zinc/59/81/74/898598174.db2.gz USYRSSLCCFIOMX-LLVKDONJSA-N 2 1 293.371 -0.482 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]C(C)C)C1 ZINC001379523125 898654960 /nfs/dbraw/zinc/65/49/60/898654960.db2.gz AVHYKXGPCNHTJY-VXGBXAGGSA-N 2 1 273.377 -0.818 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]C(C)C)C1 ZINC001379523125 898654965 /nfs/dbraw/zinc/65/49/65/898654965.db2.gz AVHYKXGPCNHTJY-VXGBXAGGSA-N 2 1 273.377 -0.818 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001379518061 898655401 /nfs/dbraw/zinc/65/54/01/898655401.db2.gz YJRBRXCLGAINLB-WDEREUQCSA-N 2 1 284.404 -0.301 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@H]1C ZINC001379565485 898670429 /nfs/dbraw/zinc/67/04/29/898670429.db2.gz GEESQMIWQZQEEB-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCC[NH+]1C ZINC001379639826 898692044 /nfs/dbraw/zinc/69/20/44/898692044.db2.gz LLEUZPCSYKFCAP-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCC[NH+]1C ZINC001379639826 898692053 /nfs/dbraw/zinc/69/20/53/898692053.db2.gz LLEUZPCSYKFCAP-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001379639826 898692058 /nfs/dbraw/zinc/69/20/58/898692058.db2.gz LLEUZPCSYKFCAP-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001379639826 898692066 /nfs/dbraw/zinc/69/20/66/898692066.db2.gz LLEUZPCSYKFCAP-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379676149 898698287 /nfs/dbraw/zinc/69/82/87/898698287.db2.gz ZUICSXMDLNZCEH-DGCLKSJQSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379676149 898698294 /nfs/dbraw/zinc/69/82/94/898698294.db2.gz ZUICSXMDLNZCEH-DGCLKSJQSA-N 2 1 296.415 -0.489 20 0 CBADMP COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001379782261 898728885 /nfs/dbraw/zinc/72/88/85/898728885.db2.gz LCHNXDIPPKCWDQ-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CN(C[C@H](O)C[N@H+](C)CC1CC1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001379905755 898758023 /nfs/dbraw/zinc/75/80/23/898758023.db2.gz DVDPYVRMDWPRGY-KGLIPLIRSA-N 2 1 299.415 -0.522 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CC1CC1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001379905755 898758034 /nfs/dbraw/zinc/75/80/34/898758034.db2.gz DVDPYVRMDWPRGY-KGLIPLIRSA-N 2 1 299.415 -0.522 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CC1CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379905755 898758045 /nfs/dbraw/zinc/75/80/45/898758045.db2.gz DVDPYVRMDWPRGY-KGLIPLIRSA-N 2 1 299.415 -0.522 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CC1CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379905755 898758054 /nfs/dbraw/zinc/75/80/54/898758054.db2.gz DVDPYVRMDWPRGY-KGLIPLIRSA-N 2 1 299.415 -0.522 20 0 CBADMP CN(C[C@@H](O)C[N@H+](C)CC1CC1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001379905748 898760268 /nfs/dbraw/zinc/76/02/68/898760268.db2.gz DVDPYVRMDWPRGY-KBPBESRZSA-N 2 1 299.415 -0.522 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CC1CC1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001379905748 898760278 /nfs/dbraw/zinc/76/02/78/898760278.db2.gz DVDPYVRMDWPRGY-KBPBESRZSA-N 2 1 299.415 -0.522 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CC1CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379905748 898760286 /nfs/dbraw/zinc/76/02/86/898760286.db2.gz DVDPYVRMDWPRGY-KBPBESRZSA-N 2 1 299.415 -0.522 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CC1CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379905748 898760296 /nfs/dbraw/zinc/76/02/96/898760296.db2.gz DVDPYVRMDWPRGY-KBPBESRZSA-N 2 1 299.415 -0.522 20 0 CBADMP CN(C[C@H](O)C[N@H+](C)CC1CC1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001379905766 898761134 /nfs/dbraw/zinc/76/11/34/898761134.db2.gz DVDPYVRMDWPRGY-ZIAGYGMSSA-N 2 1 299.415 -0.522 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CC1CC1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001379905766 898761141 /nfs/dbraw/zinc/76/11/41/898761141.db2.gz DVDPYVRMDWPRGY-ZIAGYGMSSA-N 2 1 299.415 -0.522 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CC1CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379905766 898761155 /nfs/dbraw/zinc/76/11/55/898761155.db2.gz DVDPYVRMDWPRGY-ZIAGYGMSSA-N 2 1 299.415 -0.522 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CC1CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379905766 898761164 /nfs/dbraw/zinc/76/11/64/898761164.db2.gz DVDPYVRMDWPRGY-ZIAGYGMSSA-N 2 1 299.415 -0.522 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@H+](C)C[C@@H](C)O ZINC001379965480 898776148 /nfs/dbraw/zinc/77/61/48/898776148.db2.gz BYHUQIRGSQIRAG-CHWSQXEVSA-N 2 1 289.420 -0.542 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)C[C@@H](C)O ZINC001379965480 898776160 /nfs/dbraw/zinc/77/61/60/898776160.db2.gz BYHUQIRGSQIRAG-CHWSQXEVSA-N 2 1 289.420 -0.542 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)C[C@@H](C)O ZINC001379965480 898776172 /nfs/dbraw/zinc/77/61/72/898776172.db2.gz BYHUQIRGSQIRAG-CHWSQXEVSA-N 2 1 289.420 -0.542 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@H](C)O ZINC001379965502 898777689 /nfs/dbraw/zinc/77/76/89/898777689.db2.gz BYHUQIRGSQIRAG-STQMWFEESA-N 2 1 289.420 -0.542 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)C[C@H](C)O ZINC001379965502 898777696 /nfs/dbraw/zinc/77/76/96/898777696.db2.gz BYHUQIRGSQIRAG-STQMWFEESA-N 2 1 289.420 -0.542 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)C[C@H](C)O ZINC001379965502 898777702 /nfs/dbraw/zinc/77/77/02/898777702.db2.gz BYHUQIRGSQIRAG-STQMWFEESA-N 2 1 289.420 -0.542 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@@H](C)O ZINC001379965496 898778764 /nfs/dbraw/zinc/77/87/64/898778764.db2.gz BYHUQIRGSQIRAG-OLZOCXBDSA-N 2 1 289.420 -0.542 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)C[C@@H](C)O ZINC001379965496 898778769 /nfs/dbraw/zinc/77/87/69/898778769.db2.gz BYHUQIRGSQIRAG-OLZOCXBDSA-N 2 1 289.420 -0.542 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)C[C@@H](C)O ZINC001379965496 898778776 /nfs/dbraw/zinc/77/87/76/898778776.db2.gz BYHUQIRGSQIRAG-OLZOCXBDSA-N 2 1 289.420 -0.542 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C[C@@H](O)COC)[NH+](C)C ZINC001379984085 898780150 /nfs/dbraw/zinc/78/01/50/898780150.db2.gz UQBVQNLQAMWNKU-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1C[C@@H](O)COC)[NH+](C)C ZINC001379984085 898780154 /nfs/dbraw/zinc/78/01/54/898780154.db2.gz UQBVQNLQAMWNKU-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001380070892 898800358 /nfs/dbraw/zinc/80/03/58/898800358.db2.gz YDMVEKCGXMYNIB-GHMZBOCLSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380350096 898864400 /nfs/dbraw/zinc/86/44/00/898864400.db2.gz CREYYEZIRGNODQ-SWLSCSKDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001380400845 898874340 /nfs/dbraw/zinc/87/43/40/898874340.db2.gz VATFTWJHVJSKCQ-LALPHHSUSA-N 2 1 296.415 -0.360 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001380539433 898892164 /nfs/dbraw/zinc/89/21/64/898892164.db2.gz UMRLWPKGGPRNGG-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001380539433 898892175 /nfs/dbraw/zinc/89/21/75/898892175.db2.gz UMRLWPKGGPRNGG-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001380539433 898892186 /nfs/dbraw/zinc/89/21/86/898892186.db2.gz UMRLWPKGGPRNGG-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001380565859 898902144 /nfs/dbraw/zinc/90/21/44/898902144.db2.gz JOFJTQGTQBRTFH-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001380565859 898902155 /nfs/dbraw/zinc/90/21/55/898902155.db2.gz JOFJTQGTQBRTFH-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001380565859 898902166 /nfs/dbraw/zinc/90/21/66/898902166.db2.gz JOFJTQGTQBRTFH-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001380565859 898902175 /nfs/dbraw/zinc/90/21/75/898902175.db2.gz JOFJTQGTQBRTFH-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001380562285 898902211 /nfs/dbraw/zinc/90/22/11/898902211.db2.gz BTYVIQIIELEIER-SWLSCSKDSA-N 2 1 297.399 -0.984 20 0 CBADMP CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1)[NH+](C)C ZINC001380566555 898903559 /nfs/dbraw/zinc/90/35/59/898903559.db2.gz QLJFDXGFUYTPFY-GXTWGEPZSA-N 2 1 287.404 -0.738 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001380689477 898934121 /nfs/dbraw/zinc/93/41/21/898934121.db2.gz PSYWWPWNBJWWBQ-NWDGAFQWSA-N 2 1 284.404 -0.504 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1 ZINC001380789421 898949270 /nfs/dbraw/zinc/94/92/70/898949270.db2.gz IUTCGHLFUMOHTO-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001381097244 898995814 /nfs/dbraw/zinc/99/58/14/898995814.db2.gz PWZJLYBFDCTXFJ-YPMHNXCESA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001381097242 898996724 /nfs/dbraw/zinc/99/67/24/898996724.db2.gz PWZJLYBFDCTXFJ-AAEUAGOBSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[NH+]1CC[C@H]1C(=O)NCC[N@@H+](C)CCOCCO ZINC001455180787 914312113 /nfs/dbraw/zinc/31/21/13/914312113.db2.gz WXPHQQMJFJKAAG-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001381449125 899056364 /nfs/dbraw/zinc/05/63/64/899056364.db2.gz XYHRIGJBJUZEJF-QWRGUYRKSA-N 2 1 297.407 -0.465 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001381449125 899056379 /nfs/dbraw/zinc/05/63/79/899056379.db2.gz XYHRIGJBJUZEJF-QWRGUYRKSA-N 2 1 297.407 -0.465 20 0 CBADMP CC[N@@H+]1CC[C@H]1C(=O)NCC[NH+](C)CCOCCO ZINC001455180787 914312059 /nfs/dbraw/zinc/31/20/59/914312059.db2.gz WXPHQQMJFJKAAG-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@H+]1CC[C@H]1C(=O)NCC[NH+](C)CCOCCO ZINC001455180787 914312078 /nfs/dbraw/zinc/31/20/78/914312078.db2.gz WXPHQQMJFJKAAG-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP COCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001381509962 899072634 /nfs/dbraw/zinc/07/26/34/899072634.db2.gz TWTNBEDPHGVMSX-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001381509962 899072649 /nfs/dbraw/zinc/07/26/49/899072649.db2.gz TWTNBEDPHGVMSX-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001381509962 899072666 /nfs/dbraw/zinc/07/26/66/899072666.db2.gz TWTNBEDPHGVMSX-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001381509962 899072671 /nfs/dbraw/zinc/07/26/71/899072671.db2.gz TWTNBEDPHGVMSX-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001455186067 914311382 /nfs/dbraw/zinc/31/13/82/914311382.db2.gz ZDKSLZQQICRIRG-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001455186067 914311397 /nfs/dbraw/zinc/31/13/97/914311397.db2.gz ZDKSLZQQICRIRG-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001455186067 914311402 /nfs/dbraw/zinc/31/14/02/914311402.db2.gz ZDKSLZQQICRIRG-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+]1CC[C@H]1C(=O)NCC[N@H+](C)CCOCCO ZINC001455180787 914312096 /nfs/dbraw/zinc/31/20/96/914312096.db2.gz WXPHQQMJFJKAAG-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001381538580 899078109 /nfs/dbraw/zinc/07/81/09/899078109.db2.gz FSDYZGKWUZWAMP-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001381538580 899078120 /nfs/dbraw/zinc/07/81/20/899078120.db2.gz FSDYZGKWUZWAMP-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001381618509 899096561 /nfs/dbraw/zinc/09/65/61/899096561.db2.gz KEHSYLSSUJUKBK-QWRGUYRKSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001381618509 899096574 /nfs/dbraw/zinc/09/65/74/899096574.db2.gz KEHSYLSSUJUKBK-QWRGUYRKSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001381618509 899096583 /nfs/dbraw/zinc/09/65/83/899096583.db2.gz KEHSYLSSUJUKBK-QWRGUYRKSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001381618509 899096596 /nfs/dbraw/zinc/09/65/96/899096596.db2.gz KEHSYLSSUJUKBK-QWRGUYRKSA-N 2 1 270.377 -0.879 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H]1CCN(C)C1=O ZINC001381639192 899100919 /nfs/dbraw/zinc/10/09/19/899100919.db2.gz AFCIMPJPIVTUKL-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001381639192 899100925 /nfs/dbraw/zinc/10/09/25/899100925.db2.gz AFCIMPJPIVTUKL-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001381639192 899100928 /nfs/dbraw/zinc/10/09/28/899100928.db2.gz AFCIMPJPIVTUKL-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001381956332 899135977 /nfs/dbraw/zinc/13/59/77/899135977.db2.gz IRFQMAPSSYGZIT-ZDEQEGDKSA-N 2 1 296.415 -0.171 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001381976976 899138907 /nfs/dbraw/zinc/13/89/07/899138907.db2.gz VTOAQJQZMNBHGO-SRVKXCTJSA-N 2 1 282.388 -0.832 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001382102117 899155883 /nfs/dbraw/zinc/15/58/83/899155883.db2.gz OKJLRHPYGPMPIB-NSHDSACASA-N 2 1 295.387 -0.284 20 0 CBADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001382121608 899159966 /nfs/dbraw/zinc/15/99/66/899159966.db2.gz LYIYHNNNHYHYTE-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001382161896 899166349 /nfs/dbraw/zinc/16/63/49/899166349.db2.gz MLMDNKLSTCMCHI-LLVKDONJSA-N 2 1 295.387 -0.284 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382152727 899167494 /nfs/dbraw/zinc/16/74/94/899167494.db2.gz MJGOXMSHSJWTQN-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCC2CC2)C1 ZINC001382196796 899188965 /nfs/dbraw/zinc/18/89/65/899188965.db2.gz UDXQZQJXVOJQNM-STQMWFEESA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCC2CC2)C1 ZINC001382196796 899188977 /nfs/dbraw/zinc/18/89/77/899188977.db2.gz UDXQZQJXVOJQNM-STQMWFEESA-N 2 1 285.388 -0.816 20 0 CBADMP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001382217854 899198697 /nfs/dbraw/zinc/19/86/97/899198697.db2.gz SQTJRYRYMNAKTI-CHWSQXEVSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001382270576 899223445 /nfs/dbraw/zinc/22/34/45/899223445.db2.gz CTKABNLNNXMBOE-OLZOCXBDSA-N 2 1 296.371 -0.705 20 0 CBADMP Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382275350 899228847 /nfs/dbraw/zinc/22/88/47/899228847.db2.gz SLLIZAPAHLUNEP-RYUDHWBXSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001382275350 899228859 /nfs/dbraw/zinc/22/88/59/899228859.db2.gz SLLIZAPAHLUNEP-RYUDHWBXSA-N 2 1 296.371 -0.499 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001385209095 899555456 /nfs/dbraw/zinc/55/54/56/899555456.db2.gz RMCCKXCVMZOUFX-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001385270332 899560006 /nfs/dbraw/zinc/56/00/06/899560006.db2.gz ICLYCZBBOAXMFI-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CC[C@H](C(=O)N(C)CCNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC001386831515 899718016 /nfs/dbraw/zinc/71/80/16/899718016.db2.gz UKNTWIHAKJJHAE-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CC[NH+](C)C ZINC001387172812 899770756 /nfs/dbraw/zinc/77/07/56/899770756.db2.gz WNEPZQUHCJQUKR-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CC[NH+](C)C ZINC001387752827 899826585 /nfs/dbraw/zinc/82/65/85/899826585.db2.gz YEFYEKFVICOTQH-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP C[NH+](C)CCC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001387818889 899834108 /nfs/dbraw/zinc/83/41/08/899834108.db2.gz LXKXRSQYWMYYFM-NSHDSACASA-N 2 1 282.388 -0.783 20 0 CBADMP CCN(CCNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1C ZINC001388421782 899887529 /nfs/dbraw/zinc/88/75/29/899887529.db2.gz OWABDCVYUPFXIX-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001388645829 899894306 /nfs/dbraw/zinc/89/43/06/899894306.db2.gz IJWMSOHGLINYSF-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001388645829 899894311 /nfs/dbraw/zinc/89/43/11/899894311.db2.gz IJWMSOHGLINYSF-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001389348755 899996346 /nfs/dbraw/zinc/99/63/46/899996346.db2.gz ZMRAILOJMACZDZ-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001389348755 899996352 /nfs/dbraw/zinc/99/63/52/899996352.db2.gz ZMRAILOJMACZDZ-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001389442213 900016555 /nfs/dbraw/zinc/01/65/55/900016555.db2.gz ZDRIHBNRZPPGLR-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001389442213 900016562 /nfs/dbraw/zinc/01/65/62/900016562.db2.gz ZDRIHBNRZPPGLR-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001389442213 900016571 /nfs/dbraw/zinc/01/65/71/900016571.db2.gz ZDRIHBNRZPPGLR-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001389492806 900029999 /nfs/dbraw/zinc/02/99/99/900029999.db2.gz AOTCYPIJJIOLNW-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001389492806 900030014 /nfs/dbraw/zinc/03/00/14/900030014.db2.gz AOTCYPIJJIOLNW-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001389492806 900030025 /nfs/dbraw/zinc/03/00/25/900030025.db2.gz AOTCYPIJJIOLNW-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001389492806 900030036 /nfs/dbraw/zinc/03/00/36/900030036.db2.gz AOTCYPIJJIOLNW-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]([NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1)C(N)=O ZINC001389609929 900049503 /nfs/dbraw/zinc/04/95/03/900049503.db2.gz QPEFJANVTASXNH-GXFFZTMASA-N 2 1 296.415 -0.171 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]([NH2+][C@H](C)C(N)=O)C1CC1 ZINC001389694209 900059189 /nfs/dbraw/zinc/05/91/89/900059189.db2.gz QKSOSNSJCGTQEO-SKDRFNHKSA-N 2 1 293.371 -0.450 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001389821437 900077277 /nfs/dbraw/zinc/07/72/77/900077277.db2.gz SPXGDFAPJSFXHS-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001389835229 900080436 /nfs/dbraw/zinc/08/04/36/900080436.db2.gz IHLNAXFVGJWFLX-LPWJVIDDSA-N 2 1 285.388 -0.675 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001389854434 900086755 /nfs/dbraw/zinc/08/67/55/900086755.db2.gz AWBFQXGHHOLFDZ-LPWJVIDDSA-N 2 1 296.415 -0.029 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001389857515 900087141 /nfs/dbraw/zinc/08/71/41/900087141.db2.gz FNCOZKHPFBLCKE-OBJOEFQTSA-N 2 1 299.415 -0.285 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001389863994 900087185 /nfs/dbraw/zinc/08/71/85/900087185.db2.gz VBPHNNUVIIUWHG-NQBHXWOUSA-N 2 1 294.399 -0.404 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001389870873 900087570 /nfs/dbraw/zinc/08/75/70/900087570.db2.gz OJEVYYPYTVRDQS-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001389895937 900090350 /nfs/dbraw/zinc/09/03/50/900090350.db2.gz VRHWZAPQVSRVAL-AVGNSLFASA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21)[NH+](C)C ZINC001390242312 900126777 /nfs/dbraw/zinc/12/67/77/900126777.db2.gz BJEBPDMIYMULEM-PREPNJAASA-N 2 1 282.388 -0.753 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21)[NH+](C)C ZINC001390242312 900126781 /nfs/dbraw/zinc/12/67/81/900126781.db2.gz BJEBPDMIYMULEM-PREPNJAASA-N 2 1 282.388 -0.753 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001390411557 900155724 /nfs/dbraw/zinc/15/57/24/900155724.db2.gz XLRFFAFMLJERFG-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001390442885 900163084 /nfs/dbraw/zinc/16/30/84/900163084.db2.gz YUWHGCLXIIOMTK-ZYHUDNBSSA-N 2 1 295.387 -0.237 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC)C1 ZINC001390458531 900166413 /nfs/dbraw/zinc/16/64/13/900166413.db2.gz NJCXEPDOCGYDBS-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]C[C@@H]1CCOC1 ZINC001390493167 900177857 /nfs/dbraw/zinc/17/78/57/900177857.db2.gz LUOXQHOEHXRQTB-KGLIPLIRSA-N 2 1 299.415 -0.161 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001390517541 900180921 /nfs/dbraw/zinc/18/09/21/900180921.db2.gz YXLBWFRQAZVAOK-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001390523504 900181406 /nfs/dbraw/zinc/18/14/06/900181406.db2.gz UJWRUQYTUVMWAL-GXSJLCMTSA-N 2 1 279.344 -0.826 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001390523505 900183609 /nfs/dbraw/zinc/18/36/09/900183609.db2.gz UJWRUQYTUVMWAL-KOLCDFICSA-N 2 1 279.344 -0.826 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001390593227 900194485 /nfs/dbraw/zinc/19/44/85/900194485.db2.gz DYASIPIMDSRPJL-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001390595058 900194614 /nfs/dbraw/zinc/19/46/14/900194614.db2.gz QYHCEZSMJZYONW-NEPJUHHUSA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001390595104 900194687 /nfs/dbraw/zinc/19/46/87/900194687.db2.gz QYHCEZSMJZYONW-VXGBXAGGSA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001390647555 900202704 /nfs/dbraw/zinc/20/27/04/900202704.db2.gz QDIKXOFROYSHCV-DGCLKSJQSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001390714665 900216346 /nfs/dbraw/zinc/21/63/46/900216346.db2.gz MJPOBFLXOMPQTH-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)CCn1cncn1 ZINC001390793536 900243116 /nfs/dbraw/zinc/24/31/16/900243116.db2.gz ILEFQHVMWVZJNU-UHFFFAOYSA-N 2 1 291.359 -0.469 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)CCn1cncn1 ZINC001390793536 900243128 /nfs/dbraw/zinc/24/31/28/900243128.db2.gz ILEFQHVMWVZJNU-UHFFFAOYSA-N 2 1 291.359 -0.469 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@H+](C)[C@H]1CCCNC1=O ZINC001390808990 900248936 /nfs/dbraw/zinc/24/89/36/900248936.db2.gz FRNKSCAVZNPZNZ-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001390808990 900248950 /nfs/dbraw/zinc/24/89/50/900248950.db2.gz FRNKSCAVZNPZNZ-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP COC[C@H](C)[N@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001390832175 900260374 /nfs/dbraw/zinc/26/03/74/900260374.db2.gz RFBNOTVVRMEVPV-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP COC[C@H](C)[N@@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001390832175 900260384 /nfs/dbraw/zinc/26/03/84/900260384.db2.gz RFBNOTVVRMEVPV-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001390848119 900265346 /nfs/dbraw/zinc/26/53/46/900265346.db2.gz YSOZJDOGNKOBBF-LBPRGKRZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001390844486 900265678 /nfs/dbraw/zinc/26/56/78/900265678.db2.gz KTYDYIUEYJRHLG-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001390844486 900265688 /nfs/dbraw/zinc/26/56/88/900265688.db2.gz KTYDYIUEYJRHLG-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCNC1=O ZINC001390844486 900265697 /nfs/dbraw/zinc/26/56/97/900265697.db2.gz KTYDYIUEYJRHLG-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC001390844486 900265709 /nfs/dbraw/zinc/26/57/09/900265709.db2.gz KTYDYIUEYJRHLG-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001390844499 900266074 /nfs/dbraw/zinc/26/60/74/900266074.db2.gz KTYDYIUEYJRHLG-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001390844499 900266087 /nfs/dbraw/zinc/26/60/87/900266087.db2.gz KTYDYIUEYJRHLG-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCNC1=O ZINC001390844499 900266100 /nfs/dbraw/zinc/26/61/00/900266100.db2.gz KTYDYIUEYJRHLG-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC001390844499 900266116 /nfs/dbraw/zinc/26/61/16/900266116.db2.gz KTYDYIUEYJRHLG-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H](C)COC ZINC001390896775 900276472 /nfs/dbraw/zinc/27/64/72/900276472.db2.gz BJPQKDUTSMEQEW-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H](C)COC ZINC001390896775 900276485 /nfs/dbraw/zinc/27/64/85/900276485.db2.gz BJPQKDUTSMEQEW-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@@H](C)COC ZINC001390896775 900276501 /nfs/dbraw/zinc/27/65/01/900276501.db2.gz BJPQKDUTSMEQEW-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H](C)COC ZINC001390896775 900276516 /nfs/dbraw/zinc/27/65/16/900276516.db2.gz BJPQKDUTSMEQEW-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC(=O)NC ZINC001391002719 900294892 /nfs/dbraw/zinc/29/48/92/900294892.db2.gz CBUYOIOMSFHDKO-CYBMUJFWSA-N 2 1 286.420 -0.243 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC(=O)NC ZINC001391002719 900294907 /nfs/dbraw/zinc/29/49/07/900294907.db2.gz CBUYOIOMSFHDKO-CYBMUJFWSA-N 2 1 286.420 -0.243 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCN(C)C1=O ZINC001391022822 900295270 /nfs/dbraw/zinc/29/52/70/900295270.db2.gz MHQFOZKJUFUUBU-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(C)C1=O ZINC001391022822 900295274 /nfs/dbraw/zinc/29/52/74/900295274.db2.gz MHQFOZKJUFUUBU-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C)C1=O ZINC001391022822 900295292 /nfs/dbraw/zinc/29/52/92/900295292.db2.gz MHQFOZKJUFUUBU-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP Cn1nncc1C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391099298 900307804 /nfs/dbraw/zinc/30/78/04/900307804.db2.gz RDXCULUXUWEMEB-LBPRGKRZSA-N 2 1 294.403 -0.295 20 0 CBADMP Cn1nncc1C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391099298 900307818 /nfs/dbraw/zinc/30/78/18/900307818.db2.gz RDXCULUXUWEMEB-LBPRGKRZSA-N 2 1 294.403 -0.295 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391091087 900311034 /nfs/dbraw/zinc/31/10/34/900311034.db2.gz BSVOZQJBYYPTBM-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001391222195 900344355 /nfs/dbraw/zinc/34/43/55/900344355.db2.gz FDGJUTKEYYCPAA-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H](C[N@H+](C)CCO)C2)C1 ZINC001391360817 900359140 /nfs/dbraw/zinc/35/91/40/900359140.db2.gz UUDHGIYMXOSDKT-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH+](C)CCO)C2)C1 ZINC001391360817 900359116 /nfs/dbraw/zinc/35/91/16/900359116.db2.gz UUDHGIYMXOSDKT-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH+](C)CCO)C2)C1 ZINC001391360817 900359125 /nfs/dbraw/zinc/35/91/25/900359125.db2.gz UUDHGIYMXOSDKT-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)CCO)C2)C1 ZINC001391360817 900359155 /nfs/dbraw/zinc/35/91/55/900359155.db2.gz UUDHGIYMXOSDKT-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP CN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001391398401 900367718 /nfs/dbraw/zinc/36/77/18/900367718.db2.gz BRMLZEWONSFEAR-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001391398401 900367728 /nfs/dbraw/zinc/36/77/28/900367728.db2.gz BRMLZEWONSFEAR-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)N(C)C(=O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001391496359 900393130 /nfs/dbraw/zinc/39/31/30/900393130.db2.gz MWSUJBQIQMZVFM-UHFFFAOYSA-N 2 1 298.431 -0.147 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001391563582 900409110 /nfs/dbraw/zinc/40/91/10/900409110.db2.gz RNKYWSPMZMLAPU-RDBSUJKOSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001391563582 900409117 /nfs/dbraw/zinc/40/91/17/900409117.db2.gz RNKYWSPMZMLAPU-RDBSUJKOSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001391563582 900409123 /nfs/dbraw/zinc/40/91/23/900409123.db2.gz RNKYWSPMZMLAPU-RDBSUJKOSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001391561594 900409313 /nfs/dbraw/zinc/40/93/13/900409313.db2.gz PLISPEAGJWAABY-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001391561594 900409319 /nfs/dbraw/zinc/40/93/19/900409319.db2.gz PLISPEAGJWAABY-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001391590896 900412602 /nfs/dbraw/zinc/41/26/02/900412602.db2.gz BRODZRFFZHFDGE-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001391590896 900412607 /nfs/dbraw/zinc/41/26/07/900412607.db2.gz BRODZRFFZHFDGE-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001391590896 900412612 /nfs/dbraw/zinc/41/26/12/900412612.db2.gz BRODZRFFZHFDGE-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001391574722 900414969 /nfs/dbraw/zinc/41/49/69/900414969.db2.gz XBNJJPXRBZMPFR-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001391574722 900414978 /nfs/dbraw/zinc/41/49/78/900414978.db2.gz XBNJJPXRBZMPFR-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001391619865 900422126 /nfs/dbraw/zinc/42/21/26/900422126.db2.gz JOAXTPLBWSOQSM-GXTWGEPZSA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001391619865 900422133 /nfs/dbraw/zinc/42/21/33/900422133.db2.gz JOAXTPLBWSOQSM-GXTWGEPZSA-N 2 1 298.431 -0.149 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001391668294 900429561 /nfs/dbraw/zinc/42/95/61/900429561.db2.gz VRAPPFXXMVCZLS-DGCLKSJQSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001391697846 900435140 /nfs/dbraw/zinc/43/51/40/900435140.db2.gz WLEZCOFLMZHCNU-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]C[C@H](O)COC ZINC001391719254 900437600 /nfs/dbraw/zinc/43/76/00/900437600.db2.gz PXHCTYPVZQXGAM-RWMBFGLXSA-N 2 1 287.404 -0.428 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001391883456 900459583 /nfs/dbraw/zinc/45/95/83/900459583.db2.gz UXIKINMNWABVNK-QWRGUYRKSA-N 2 1 270.377 -0.832 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCC1)C(N)=O ZINC001392014073 900492395 /nfs/dbraw/zinc/49/23/95/900492395.db2.gz JEPDSQOIEIQEOD-NWDGAFQWSA-N 2 1 296.415 -0.027 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001392047013 900499260 /nfs/dbraw/zinc/49/92/60/900499260.db2.gz CQGLFAQZJJMYEU-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001392093679 900512376 /nfs/dbraw/zinc/51/23/76/900512376.db2.gz UDKDYGNTPFHTJW-WCQYABFASA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001392093679 900512385 /nfs/dbraw/zinc/51/23/85/900512385.db2.gz UDKDYGNTPFHTJW-WCQYABFASA-N 2 1 294.403 -0.154 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392132292 900521582 /nfs/dbraw/zinc/52/15/82/900521582.db2.gz LFJYZAFCFZNOOE-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392132304 900521857 /nfs/dbraw/zinc/52/18/57/900521857.db2.gz LFJYZAFCFZNOOE-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001392219073 900535679 /nfs/dbraw/zinc/53/56/79/900535679.db2.gz JMIIPAQGZVNGLF-JHJVBQTASA-N 2 1 298.431 -0.197 20 0 CBADMP CNC(=O)[C@@H](C)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392281013 900552535 /nfs/dbraw/zinc/55/25/35/900552535.db2.gz TYJLPHQXHFZVQM-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001392281013 900552541 /nfs/dbraw/zinc/55/25/41/900552541.db2.gz TYJLPHQXHFZVQM-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001392281013 900552549 /nfs/dbraw/zinc/55/25/49/900552549.db2.gz TYJLPHQXHFZVQM-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392281013 900552558 /nfs/dbraw/zinc/55/25/58/900552558.db2.gz TYJLPHQXHFZVQM-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392281013 900552565 /nfs/dbraw/zinc/55/25/65/900552565.db2.gz TYJLPHQXHFZVQM-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP CN(CCN(C)[C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392327744 900565011 /nfs/dbraw/zinc/56/50/11/900565011.db2.gz ULEQGRMERACSPK-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001392327744 900565014 /nfs/dbraw/zinc/56/50/14/900565014.db2.gz ULEQGRMERACSPK-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001392327744 900565024 /nfs/dbraw/zinc/56/50/24/900565024.db2.gz ULEQGRMERACSPK-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392327744 900565034 /nfs/dbraw/zinc/56/50/34/900565034.db2.gz ULEQGRMERACSPK-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392327744 900565042 /nfs/dbraw/zinc/56/50/42/900565042.db2.gz ULEQGRMERACSPK-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001392503357 900638365 /nfs/dbraw/zinc/63/83/65/900638365.db2.gz JUABXGDQHTUPSB-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392513907 900644133 /nfs/dbraw/zinc/64/41/33/900644133.db2.gz ZTGNQERHLHOSPP-GHMZBOCLSA-N 2 1 270.377 -0.832 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001392538726 900650280 /nfs/dbraw/zinc/65/02/80/900650280.db2.gz ZHPQKMWBZVOECF-LLVKDONJSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001392551939 900657545 /nfs/dbraw/zinc/65/75/45/900657545.db2.gz XKWZMLHLFKARDN-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392551943 900659129 /nfs/dbraw/zinc/65/91/29/900659129.db2.gz XKWZMLHLFKARDN-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP CC(C)CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392583006 900666352 /nfs/dbraw/zinc/66/63/52/900666352.db2.gz LUWAFASPOVEAKF-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001392616525 900678555 /nfs/dbraw/zinc/67/85/55/900678555.db2.gz HEOCXVIPSOAVRT-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001392690828 900701914 /nfs/dbraw/zinc/70/19/14/900701914.db2.gz XILHFOHFCISDCQ-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001392690828 900701927 /nfs/dbraw/zinc/70/19/27/900701927.db2.gz XILHFOHFCISDCQ-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001392730067 900715912 /nfs/dbraw/zinc/71/59/12/900715912.db2.gz YGGMNNZRPCJRMJ-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001392730067 900715919 /nfs/dbraw/zinc/71/59/19/900715919.db2.gz YGGMNNZRPCJRMJ-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392730067 900715924 /nfs/dbraw/zinc/71/59/24/900715924.db2.gz YGGMNNZRPCJRMJ-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392730067 900715932 /nfs/dbraw/zinc/71/59/32/900715932.db2.gz YGGMNNZRPCJRMJ-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392814338 900731851 /nfs/dbraw/zinc/73/18/51/900731851.db2.gz UOCDXZUUDIJODD-STQMWFEESA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(N)=O ZINC001393053228 900786701 /nfs/dbraw/zinc/78/67/01/900786701.db2.gz LNECXPOSRHJAEF-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001393050830 900787074 /nfs/dbraw/zinc/78/70/74/900787074.db2.gz BSVZEXHEMCBAGF-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001393055975 900787164 /nfs/dbraw/zinc/78/71/64/900787164.db2.gz QYSYQBWAPAYZGQ-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001393055966 900787376 /nfs/dbraw/zinc/78/73/76/900787376.db2.gz QYSYQBWAPAYZGQ-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CCCC2)C1 ZINC001393083290 900789635 /nfs/dbraw/zinc/78/96/35/900789635.db2.gz JGQNUIVOUUPVCD-CHWSQXEVSA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001393065669 900790024 /nfs/dbraw/zinc/79/00/24/900790024.db2.gz REBNIRUNSNHCEK-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001393065669 900790030 /nfs/dbraw/zinc/79/00/30/900790030.db2.gz REBNIRUNSNHCEK-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CCCC2)C1 ZINC001393083306 900790797 /nfs/dbraw/zinc/79/07/97/900790797.db2.gz JGQNUIVOUUPVCD-STQMWFEESA-N 2 1 296.415 -0.312 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](CCF)C1 ZINC001393267901 900821059 /nfs/dbraw/zinc/82/10/59/900821059.db2.gz HVUGOFLGBFQKKC-CYBMUJFWSA-N 2 1 275.368 -0.149 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](CCF)C1 ZINC001393267901 900821071 /nfs/dbraw/zinc/82/10/71/900821071.db2.gz HVUGOFLGBFQKKC-CYBMUJFWSA-N 2 1 275.368 -0.149 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001393267901 900821079 /nfs/dbraw/zinc/82/10/79/900821079.db2.gz HVUGOFLGBFQKKC-CYBMUJFWSA-N 2 1 275.368 -0.149 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001393267901 900821089 /nfs/dbraw/zinc/82/10/89/900821089.db2.gz HVUGOFLGBFQKKC-CYBMUJFWSA-N 2 1 275.368 -0.149 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001393279747 900824805 /nfs/dbraw/zinc/82/48/05/900824805.db2.gz FIEMNAKTTYCDSY-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001393279747 900824815 /nfs/dbraw/zinc/82/48/15/900824815.db2.gz FIEMNAKTTYCDSY-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001393279747 900824821 /nfs/dbraw/zinc/82/48/21/900824821.db2.gz FIEMNAKTTYCDSY-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001393393575 900852721 /nfs/dbraw/zinc/85/27/21/900852721.db2.gz HJHZWNVPWSAUQN-STQMWFEESA-N 2 1 298.431 -0.243 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001393518777 900868183 /nfs/dbraw/zinc/86/81/83/900868183.db2.gz MWYYYIDRGHFNNN-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC2(CO)CC[NH+](CCO)CC2)CC[N@H+]1C ZINC001393842384 900915467 /nfs/dbraw/zinc/91/54/67/900915467.db2.gz PBNXXWWEWMTATI-CHWSQXEVSA-N 2 1 299.415 -0.738 20 0 CBADMP CN(CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001393883500 900918885 /nfs/dbraw/zinc/91/88/85/900918885.db2.gz KNZLZXDAQROWQE-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001393883500 900918897 /nfs/dbraw/zinc/91/88/97/900918897.db2.gz KNZLZXDAQROWQE-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001393883500 900918907 /nfs/dbraw/zinc/91/89/07/900918907.db2.gz KNZLZXDAQROWQE-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001393883500 900918911 /nfs/dbraw/zinc/91/89/11/900918911.db2.gz KNZLZXDAQROWQE-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001393883500 900918922 /nfs/dbraw/zinc/91/89/22/900918922.db2.gz KNZLZXDAQROWQE-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)CC(N)=O ZINC001393880950 900920173 /nfs/dbraw/zinc/92/01/73/900920173.db2.gz FJKVHRQDIYJHIO-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)CC(N)=O ZINC001393880950 900920181 /nfs/dbraw/zinc/92/01/81/900920181.db2.gz FJKVHRQDIYJHIO-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)CC(N)=O ZINC001393880950 900920191 /nfs/dbraw/zinc/92/01/91/900920191.db2.gz FJKVHRQDIYJHIO-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O ZINC001393880950 900920203 /nfs/dbraw/zinc/92/02/03/900920203.db2.gz FJKVHRQDIYJHIO-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O ZINC001393880950 900920216 /nfs/dbraw/zinc/92/02/16/900920216.db2.gz FJKVHRQDIYJHIO-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP COCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001393871324 900921021 /nfs/dbraw/zinc/92/10/21/900921021.db2.gz LFVKWGYQFHQUOR-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP CN(CC(N)=O)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001393881360 900921445 /nfs/dbraw/zinc/92/14/45/900921445.db2.gz GEDXBKXQZRBMFL-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001393881360 900921458 /nfs/dbraw/zinc/92/14/58/900921458.db2.gz GEDXBKXQZRBMFL-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001393881360 900921472 /nfs/dbraw/zinc/92/14/72/900921472.db2.gz GEDXBKXQZRBMFL-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001393881360 900921482 /nfs/dbraw/zinc/92/14/82/900921482.db2.gz GEDXBKXQZRBMFL-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001393881360 900921495 /nfs/dbraw/zinc/92/14/95/900921495.db2.gz GEDXBKXQZRBMFL-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001394131746 900979550 /nfs/dbraw/zinc/97/95/50/900979550.db2.gz ZYPIISPSRXNAKR-YPMHNXCESA-N 2 1 286.420 -0.245 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001394131746 900979554 /nfs/dbraw/zinc/97/95/54/900979554.db2.gz ZYPIISPSRXNAKR-YPMHNXCESA-N 2 1 286.420 -0.245 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)[C@H]1CCCNC1=O ZINC001394139341 900983310 /nfs/dbraw/zinc/98/33/10/900983310.db2.gz WCKBKDCCNLVDPB-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001394255870 901002162 /nfs/dbraw/zinc/00/21/62/901002162.db2.gz VHBIFJAWWIBPBY-QWRGUYRKSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001394255856 901003869 /nfs/dbraw/zinc/00/38/69/901003869.db2.gz VHBIFJAWWIBPBY-GHMZBOCLSA-N 2 1 284.404 -0.491 20 0 CBADMP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ncnn1C ZINC001394522401 901044147 /nfs/dbraw/zinc/04/41/47/901044147.db2.gz TUADTGHKRWAVTM-LLVKDONJSA-N 2 1 282.392 -0.297 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001394563817 901054477 /nfs/dbraw/zinc/05/44/77/901054477.db2.gz CAVLPHHBBOBHOY-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CCO)CC(C)(C)C ZINC001394638312 901100804 /nfs/dbraw/zinc/10/08/04/901100804.db2.gz SOBPDTLNRZMQGG-NSHDSACASA-N 2 1 275.393 -0.977 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001397140651 901367799 /nfs/dbraw/zinc/36/77/99/901367799.db2.gz NSRGFVBVPWERON-HAQNSBGRSA-N 2 1 284.404 -0.443 20 0 CBADMP CN(C[C@@H]1CC[N@@H+]1CCn1cncn1)C(=O)CC[NH+](C)C ZINC001397542648 901426451 /nfs/dbraw/zinc/42/64/51/901426451.db2.gz GMKYBJPYYHGALG-ZDUSSCGKSA-N 2 1 294.403 -0.238 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCn1cncn1)C(=O)CC[NH+](C)C ZINC001397542648 901426456 /nfs/dbraw/zinc/42/64/56/901426456.db2.gz GMKYBJPYYHGALG-ZDUSSCGKSA-N 2 1 294.403 -0.238 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001397686579 901445827 /nfs/dbraw/zinc/44/58/27/901445827.db2.gz VRCABLAWNXJLEG-IJLUTSLNSA-N 2 1 282.388 -0.832 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001397654260 901445850 /nfs/dbraw/zinc/44/58/50/901445850.db2.gz VOBOYPBIHBOMEZ-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP CC[C@H](C(=O)N(C)C1CC[NH+](CC(N)=O)CC1)[NH+](C)C ZINC001398180518 901504222 /nfs/dbraw/zinc/50/42/22/901504222.db2.gz ASQZNTOABLYAKC-GFCCVEGCSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001398450033 901541567 /nfs/dbraw/zinc/54/15/67/901541567.db2.gz KRJMXJYAUDKUGS-QWHCGFSZSA-N 2 1 296.415 -0.170 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001398513713 901548234 /nfs/dbraw/zinc/54/82/34/901548234.db2.gz PVPYGUSKGBBIMY-QWHCGFSZSA-N 2 1 296.371 -0.611 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001398534866 901549358 /nfs/dbraw/zinc/54/93/58/901549358.db2.gz UKYCCNRXPLPVGZ-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001398537990 901552301 /nfs/dbraw/zinc/55/23/01/901552301.db2.gz VPIFEVWJODNIDK-QWHCGFSZSA-N 2 1 296.371 -0.611 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001398574891 901564904 /nfs/dbraw/zinc/56/49/04/901564904.db2.gz CFZKZDRHOBGPNC-JHJVBQTASA-N 2 1 294.399 -0.404 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC(NC(=O)C[NH+](C)C(C)C)C1 ZINC001398618595 901575636 /nfs/dbraw/zinc/57/56/36/901575636.db2.gz LUSMKWMEKQIGEW-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001398618595 901575648 /nfs/dbraw/zinc/57/56/48/901575648.db2.gz LUSMKWMEKQIGEW-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001398618595 901575657 /nfs/dbraw/zinc/57/56/57/901575657.db2.gz LUSMKWMEKQIGEW-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001398643533 901582404 /nfs/dbraw/zinc/58/24/04/901582404.db2.gz ONVMMMUJIDEKQK-MELADBBJSA-N 2 1 299.415 -0.020 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001398659959 901584200 /nfs/dbraw/zinc/58/42/00/901584200.db2.gz FQUYMVUADFILTQ-UTUOFQBUSA-N 2 1 282.388 -0.689 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)OC)C2)C1 ZINC001398668811 901588714 /nfs/dbraw/zinc/58/87/14/901588714.db2.gz SNDUYLQWTAMBTR-YIYPIFLZSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)OC)C2)C1 ZINC001398668811 901588723 /nfs/dbraw/zinc/58/87/23/901588723.db2.gz SNDUYLQWTAMBTR-YIYPIFLZSA-N 2 1 299.415 -0.021 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)CCC1 ZINC001398706730 901592639 /nfs/dbraw/zinc/59/26/39/901592639.db2.gz SXYCUPGNDKMZBI-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCC1 ZINC001398706730 901592649 /nfs/dbraw/zinc/59/26/49/901592649.db2.gz SXYCUPGNDKMZBI-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001398715705 901594132 /nfs/dbraw/zinc/59/41/32/901594132.db2.gz YWISOWLSOXRQTG-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001398715705 901594137 /nfs/dbraw/zinc/59/41/37/901594137.db2.gz YWISOWLSOXRQTG-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CC(N)=O ZINC001398781855 901603767 /nfs/dbraw/zinc/60/37/67/901603767.db2.gz ZPEJKYCGMMZZSM-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CC(N)=O ZINC001398781855 901603773 /nfs/dbraw/zinc/60/37/73/901603773.db2.gz ZPEJKYCGMMZZSM-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001398781855 901603778 /nfs/dbraw/zinc/60/37/78/901603778.db2.gz ZPEJKYCGMMZZSM-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001398781855 901603782 /nfs/dbraw/zinc/60/37/82/901603782.db2.gz ZPEJKYCGMMZZSM-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1cn(C)nn1 ZINC001399025951 901650651 /nfs/dbraw/zinc/65/06/51/901650651.db2.gz IMBQFQJAOHWNMH-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](C)[NH2+]CCO)CC2 ZINC001399026228 901651931 /nfs/dbraw/zinc/65/19/31/901651931.db2.gz HIZFAWOJTTXKNS-JQWIXIFHSA-N 2 1 280.372 -0.159 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](C)[NH2+]CCO)CC2 ZINC001399026234 901652394 /nfs/dbraw/zinc/65/23/94/901652394.db2.gz HIZFAWOJTTXKNS-PWSUYJOCSA-N 2 1 280.372 -0.159 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(N)=O)C2 ZINC001399039065 901653734 /nfs/dbraw/zinc/65/37/34/901653734.db2.gz UIANLPUWLLHXQS-KOLCDFICSA-N 2 1 293.371 -0.666 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399122306 901668642 /nfs/dbraw/zinc/66/86/42/901668642.db2.gz QXDWMCZAIOFNEP-MNOVXSKESA-N 2 1 270.377 -0.832 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCN1CCCC1=O ZINC001399112742 901669813 /nfs/dbraw/zinc/66/98/13/901669813.db2.gz LYOFWUDNFINIAV-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001399119292 901670664 /nfs/dbraw/zinc/67/06/64/901670664.db2.gz QBUBFKUFFXLRRR-CMPLNLGQSA-N 2 1 284.360 -0.707 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001399163377 901678646 /nfs/dbraw/zinc/67/86/46/901678646.db2.gz NQESKRPLJXJEDA-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001399294980 901690761 /nfs/dbraw/zinc/69/07/61/901690761.db2.gz URTDRVDJOIBUSD-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001399338508 901701649 /nfs/dbraw/zinc/70/16/49/901701649.db2.gz GTJYYMYQIOLGDJ-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)[C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001399490787 901735735 /nfs/dbraw/zinc/73/57/35/901735735.db2.gz XHOLYCQVQBNEJI-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)[C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001399490787 901735753 /nfs/dbraw/zinc/73/57/53/901735753.db2.gz XHOLYCQVQBNEJI-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)[C@H]2CCN(C)C2=O)CC[NH+]1C ZINC001399490787 901735768 /nfs/dbraw/zinc/73/57/68/901735768.db2.gz XHOLYCQVQBNEJI-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)[C@H]2CCN(C)C2=O)CC[NH+]1C ZINC001399490787 901735778 /nfs/dbraw/zinc/73/57/78/901735778.db2.gz XHOLYCQVQBNEJI-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001399489146 901735832 /nfs/dbraw/zinc/73/58/32/901735832.db2.gz SPFONAOKWPZVLR-CMPLNLGQSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001399489146 901735840 /nfs/dbraw/zinc/73/58/40/901735840.db2.gz SPFONAOKWPZVLR-CMPLNLGQSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001399675006 901769444 /nfs/dbraw/zinc/76/94/44/901769444.db2.gz YRBCYWMYZGIXDE-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001399675006 901769436 /nfs/dbraw/zinc/76/94/36/901769436.db2.gz YRBCYWMYZGIXDE-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CN(CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CC[NH+](C)C ZINC001399670659 901772109 /nfs/dbraw/zinc/77/21/09/901772109.db2.gz MAPDDXJGRBMIRE-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CC(=O)NC ZINC001399762024 901794418 /nfs/dbraw/zinc/79/44/18/901794418.db2.gz IKXKMSPLKRUQFV-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CC(=O)NC ZINC001399762024 901794436 /nfs/dbraw/zinc/79/44/36/901794436.db2.gz IKXKMSPLKRUQFV-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)CC(=O)NC ZINC001399762024 901794449 /nfs/dbraw/zinc/79/44/49/901794449.db2.gz IKXKMSPLKRUQFV-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)CC(=O)NC ZINC001399762024 901794467 /nfs/dbraw/zinc/79/44/67/901794467.db2.gz IKXKMSPLKRUQFV-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001399955129 901841324 /nfs/dbraw/zinc/84/13/24/901841324.db2.gz RXEDVQPKAZGPHA-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001399955129 901841328 /nfs/dbraw/zinc/84/13/28/901841328.db2.gz RXEDVQPKAZGPHA-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001399955129 901841331 /nfs/dbraw/zinc/84/13/31/901841331.db2.gz RXEDVQPKAZGPHA-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001400046569 901861669 /nfs/dbraw/zinc/86/16/69/901861669.db2.gz FQDNSXXVFQPWGF-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001400048366 901862213 /nfs/dbraw/zinc/86/22/13/901862213.db2.gz HKTFJPCNKSCABP-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001400075187 901874765 /nfs/dbraw/zinc/87/47/65/901874765.db2.gz ZJHOONUGQWCQEV-NSHDSACASA-N 2 1 286.420 -0.114 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)c1nnnn1C ZINC001400078865 901875121 /nfs/dbraw/zinc/87/51/21/901875121.db2.gz PJDWRYURGBMAGX-LLVKDONJSA-N 2 1 297.407 -0.339 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)c1nnnn1C ZINC001400078865 901875132 /nfs/dbraw/zinc/87/51/32/901875132.db2.gz PJDWRYURGBMAGX-LLVKDONJSA-N 2 1 297.407 -0.339 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001400500913 901956428 /nfs/dbraw/zinc/95/64/28/901956428.db2.gz KOIJVFXUGRFNMM-YPMHNXCESA-N 2 1 298.431 -0.245 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC1C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001400550101 901968843 /nfs/dbraw/zinc/96/88/43/901968843.db2.gz VYQODYLZVJJRGA-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001400550101 901968859 /nfs/dbraw/zinc/96/88/59/901968859.db2.gz VYQODYLZVJJRGA-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001400688969 901996457 /nfs/dbraw/zinc/99/64/57/901996457.db2.gz XMLFIYVDYDMNGQ-VXGBXAGGSA-N 2 1 282.388 -0.594 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001400688969 901996467 /nfs/dbraw/zinc/99/64/67/901996467.db2.gz XMLFIYVDYDMNGQ-VXGBXAGGSA-N 2 1 282.388 -0.594 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001400688969 901996481 /nfs/dbraw/zinc/99/64/81/901996481.db2.gz XMLFIYVDYDMNGQ-VXGBXAGGSA-N 2 1 282.388 -0.594 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001400688969 901996489 /nfs/dbraw/zinc/99/64/89/901996489.db2.gz XMLFIYVDYDMNGQ-VXGBXAGGSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+][C@@H](C)C(N)=O ZINC001400856276 902030632 /nfs/dbraw/zinc/03/06/32/902030632.db2.gz ZICPFJFEEYCGGR-QWRGUYRKSA-N 2 1 281.360 -0.450 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401009185 902039503 /nfs/dbraw/zinc/03/95/03/902039503.db2.gz MICPTJJRPWVNFQ-XHDPSFHLSA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401009183 902039621 /nfs/dbraw/zinc/03/96/21/902039621.db2.gz MICPTJJRPWVNFQ-NHYWBVRUSA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C[NH2+]CC(=O)N(C)C ZINC001401128593 902061082 /nfs/dbraw/zinc/06/10/82/902061082.db2.gz KZJFHBKXGFASHE-QWHCGFSZSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C[NH2+]CC(=O)N(C)C ZINC001401128595 902061706 /nfs/dbraw/zinc/06/17/06/902061706.db2.gz KZJFHBKXGFASHE-STQMWFEESA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]CC(N)=O ZINC001401131833 902061913 /nfs/dbraw/zinc/06/19/13/902061913.db2.gz IDSZVWSIMHVGRY-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001401220999 902089162 /nfs/dbraw/zinc/08/91/62/902089162.db2.gz OVXPNKKHUFRPLM-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001401265022 902097352 /nfs/dbraw/zinc/09/73/52/902097352.db2.gz YDQMNMPQDMEENQ-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H]1CCN(C)C1=O ZINC001401444108 902128620 /nfs/dbraw/zinc/12/86/20/902128620.db2.gz WSLXNMNNAWAELU-CYBMUJFWSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H]1CCN(C)C1=O ZINC001401444108 902128625 /nfs/dbraw/zinc/12/86/25/902128625.db2.gz WSLXNMNNAWAELU-CYBMUJFWSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001401444108 902128630 /nfs/dbraw/zinc/12/86/30/902128630.db2.gz WSLXNMNNAWAELU-CYBMUJFWSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001401444108 902128639 /nfs/dbraw/zinc/12/86/39/902128639.db2.gz WSLXNMNNAWAELU-CYBMUJFWSA-N 2 1 298.431 -0.053 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001401498889 902142719 /nfs/dbraw/zinc/14/27/19/902142719.db2.gz RYPLCXIUPZWCNX-RYUDHWBXSA-N 2 1 293.371 -0.449 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cscn1 ZINC001401513461 902151780 /nfs/dbraw/zinc/15/17/80/902151780.db2.gz YNJCOWHNJSZQTK-NWDGAFQWSA-N 2 1 298.412 -0.196 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cscn1 ZINC001401513461 902151789 /nfs/dbraw/zinc/15/17/89/902151789.db2.gz YNJCOWHNJSZQTK-NWDGAFQWSA-N 2 1 298.412 -0.196 20 0 CBADMP O=C(NC[C@@H](O)C[NH2+]Cc1ccon1)C12CC[NH+](CC1)C2 ZINC001401577539 902175681 /nfs/dbraw/zinc/17/56/81/902175681.db2.gz HDFLIJJYVMHBGS-LBPRGKRZSA-N 2 1 294.355 -0.663 20 0 CBADMP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C)co1 ZINC001401585131 902176756 /nfs/dbraw/zinc/17/67/56/902176756.db2.gz KNGYTWQBADVTPP-ZDUSSCGKSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C)co1 ZINC001401585131 902176759 /nfs/dbraw/zinc/17/67/59/902176759.db2.gz KNGYTWQBADVTPP-ZDUSSCGKSA-N 2 1 298.387 -0.110 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001401601870 902183091 /nfs/dbraw/zinc/18/30/91/902183091.db2.gz FGDMLEFLXRLQBU-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@H]([NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001401612744 902187843 /nfs/dbraw/zinc/18/78/43/902187843.db2.gz YRDKGRYBXGZTTO-JQWIXIFHSA-N 2 1 295.387 -0.060 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401610054 902188360 /nfs/dbraw/zinc/18/83/60/902188360.db2.gz MNEFEAQBKRWARV-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1cnnn1C ZINC001401663269 902211926 /nfs/dbraw/zinc/21/19/26/902211926.db2.gz ANHNUPBVCOJTIB-SNVBAGLBSA-N 2 1 291.359 -0.385 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001401695789 902235440 /nfs/dbraw/zinc/23/54/40/902235440.db2.gz VYEXKXSFBQTKGJ-WDEREUQCSA-N 2 1 270.377 -0.689 20 0 CBADMP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001401712878 902241618 /nfs/dbraw/zinc/24/16/18/902241618.db2.gz KDPYKSSQEJFVDC-WDEREUQCSA-N 2 1 282.392 -0.250 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001401762255 902264810 /nfs/dbraw/zinc/26/48/10/902264810.db2.gz PYWBSVKVVDHCRM-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001401762255 902264822 /nfs/dbraw/zinc/26/48/22/902264822.db2.gz PYWBSVKVVDHCRM-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001401779378 902272197 /nfs/dbraw/zinc/27/21/97/902272197.db2.gz MVDHFPXVLZGZJH-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001401779378 902272212 /nfs/dbraw/zinc/27/22/12/902272212.db2.gz MVDHFPXVLZGZJH-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001401779378 902272225 /nfs/dbraw/zinc/27/22/25/902272225.db2.gz MVDHFPXVLZGZJH-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001401779378 902272236 /nfs/dbraw/zinc/27/22/36/902272236.db2.gz MVDHFPXVLZGZJH-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[N@H+](C)CCO)NC(=O)CC[NH+]1CCOCC1 ZINC001401789885 902275170 /nfs/dbraw/zinc/27/51/70/902275170.db2.gz MQLNVXAJIURTDL-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP C[C@H](C[N@@H+](C)CCO)NC(=O)CC[NH+]1CCOCC1 ZINC001401789885 902275176 /nfs/dbraw/zinc/27/51/76/902275176.db2.gz MQLNVXAJIURTDL-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001401803861 902277184 /nfs/dbraw/zinc/27/71/84/902277184.db2.gz XWDGKYXABIGISY-YPMHNXCESA-N 2 1 286.420 -0.245 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001401803861 902277197 /nfs/dbraw/zinc/27/71/97/902277197.db2.gz XWDGKYXABIGISY-YPMHNXCESA-N 2 1 286.420 -0.245 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001401866501 902292903 /nfs/dbraw/zinc/29/29/03/902292903.db2.gz JMIPYFAUEVBCFP-GFCCVEGCSA-N 2 1 284.404 -0.443 20 0 CBADMP CO[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001401928025 902313940 /nfs/dbraw/zinc/31/39/40/902313940.db2.gz SCLXNTXPYQAWPQ-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CO[C@H](C)C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001401928025 902313953 /nfs/dbraw/zinc/31/39/53/902313953.db2.gz SCLXNTXPYQAWPQ-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CC2)CC[N@H+]1C ZINC001401948582 902322468 /nfs/dbraw/zinc/32/24/68/902322468.db2.gz OKARACYVLXNCAU-WDEREUQCSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC)CC1 ZINC001401989756 902332843 /nfs/dbraw/zinc/33/28/43/902332843.db2.gz YKNRYFCLHNAGIC-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001402059712 902347448 /nfs/dbraw/zinc/34/74/48/902347448.db2.gz MRNMCWIMMOYMOG-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402149378 902369870 /nfs/dbraw/zinc/36/98/70/902369870.db2.gz SNXJRFYBMKKUIA-BXUZGUMPSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402149378 902369878 /nfs/dbraw/zinc/36/98/78/902369878.db2.gz SNXJRFYBMKKUIA-BXUZGUMPSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402149384 902370299 /nfs/dbraw/zinc/37/02/99/902370299.db2.gz SNXJRFYBMKKUIA-SMDDNHRTSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402149384 902370312 /nfs/dbraw/zinc/37/03/12/902370312.db2.gz SNXJRFYBMKKUIA-SMDDNHRTSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001402231162 902386066 /nfs/dbraw/zinc/38/60/66/902386066.db2.gz MEJAQTOOBQDSAA-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001402231162 902386075 /nfs/dbraw/zinc/38/60/75/902386075.db2.gz MEJAQTOOBQDSAA-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001402231162 902386087 /nfs/dbraw/zinc/38/60/87/902386087.db2.gz MEJAQTOOBQDSAA-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001402231162 902386100 /nfs/dbraw/zinc/38/61/00/902386100.db2.gz MEJAQTOOBQDSAA-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)CC)C1 ZINC001402225594 902386606 /nfs/dbraw/zinc/38/66/06/902386606.db2.gz AWXORUKUFORRAM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)CC)C1 ZINC001402225594 902386617 /nfs/dbraw/zinc/38/66/17/902386617.db2.gz AWXORUKUFORRAM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)CC)C1 ZINC001402225594 902386623 /nfs/dbraw/zinc/38/66/23/902386623.db2.gz AWXORUKUFORRAM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)CC)C1 ZINC001402225594 902386631 /nfs/dbraw/zinc/38/66/31/902386631.db2.gz AWXORUKUFORRAM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001402231132 902387105 /nfs/dbraw/zinc/38/71/05/902387105.db2.gz MEJAQTOOBQDSAA-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001402231132 902387117 /nfs/dbraw/zinc/38/71/17/902387117.db2.gz MEJAQTOOBQDSAA-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001402231132 902387125 /nfs/dbraw/zinc/38/71/25/902387125.db2.gz MEJAQTOOBQDSAA-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001402231132 902387142 /nfs/dbraw/zinc/38/71/42/902387142.db2.gz MEJAQTOOBQDSAA-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CO[C@@H](C)C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001402257813 902395172 /nfs/dbraw/zinc/39/51/72/902395172.db2.gz BLOILUWEMIAQOI-JSGCOSHPSA-N 2 1 287.404 -0.474 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001402297331 902415286 /nfs/dbraw/zinc/41/52/86/902415286.db2.gz VPPWZWDADFYHPX-GXTWGEPZSA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001402297331 902415290 /nfs/dbraw/zinc/41/52/90/902415290.db2.gz VPPWZWDADFYHPX-GXTWGEPZSA-N 2 1 296.371 -0.875 20 0 CBADMP CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001402470606 902460033 /nfs/dbraw/zinc/46/00/33/902460033.db2.gz LTBNKWWLXZSEJF-HNNXBMFYSA-N 2 1 299.415 -0.328 20 0 CBADMP CC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001402470606 902460039 /nfs/dbraw/zinc/46/00/39/902460039.db2.gz LTBNKWWLXZSEJF-HNNXBMFYSA-N 2 1 299.415 -0.328 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCc2cnc[nH]2)C1)C(N)=O ZINC001402500711 902466461 /nfs/dbraw/zinc/46/64/61/902466461.db2.gz IRBQEKLLIOTBKI-IJLUTSLNSA-N 2 1 293.371 -0.157 20 0 CBADMP 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 902477471 /nfs/dbraw/zinc/47/74/71/902477471.db2.gz ZHMVXDSUQRGLBT-RNJOBUHISA-N 2 1 296.415 -0.348 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC001402622505 902494210 /nfs/dbraw/zinc/49/42/10/902494210.db2.gz LLVQQIPALPHZGO-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001402820116 902526513 /nfs/dbraw/zinc/52/65/13/902526513.db2.gz XKVKFRSERIUMGJ-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP Cc1ncoc1CN[C@@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001402865696 902542294 /nfs/dbraw/zinc/54/22/94/902542294.db2.gz LHEPCRQLSXFFCY-GXFFZTMASA-N 2 1 296.371 -0.092 20 0 CBADMP CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402949462 902572869 /nfs/dbraw/zinc/57/28/69/902572869.db2.gz MGNUFJDFWLPVSZ-OTTFEQOBSA-N 2 1 296.415 -0.441 20 0 CBADMP COC[C@@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001403070821 902607803 /nfs/dbraw/zinc/60/78/03/902607803.db2.gz PKZRSMNTDPSRBU-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001403070706 902609796 /nfs/dbraw/zinc/60/97/96/902609796.db2.gz VXQJPXNHEBZPNC-BPCQOVAHSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)CCCO ZINC001403107932 902615907 /nfs/dbraw/zinc/61/59/07/902615907.db2.gz FJPBBLMUMWDWJW-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)CCCO ZINC001403107932 902615912 /nfs/dbraw/zinc/61/59/12/902615912.db2.gz FJPBBLMUMWDWJW-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+](C)CCCO ZINC001403107932 902615921 /nfs/dbraw/zinc/61/59/21/902615921.db2.gz FJPBBLMUMWDWJW-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+](C)CCCO ZINC001403107932 902615926 /nfs/dbraw/zinc/61/59/26/902615926.db2.gz FJPBBLMUMWDWJW-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001403145703 902627857 /nfs/dbraw/zinc/62/78/57/902627857.db2.gz UWNQTCYEPRJWDK-KOLCDFICSA-N 2 1 280.376 -0.341 20 0 CBADMP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001403145703 902627861 /nfs/dbraw/zinc/62/78/61/902627861.db2.gz UWNQTCYEPRJWDK-KOLCDFICSA-N 2 1 280.376 -0.341 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001403163662 902635554 /nfs/dbraw/zinc/63/55/54/902635554.db2.gz SYKHDLUTJVENLX-GRYCIOLGSA-N 2 1 282.388 -0.737 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001403217500 902650575 /nfs/dbraw/zinc/65/05/75/902650575.db2.gz VQSWXDIXWMWPIR-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP Cn1cc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001403212077 902650856 /nfs/dbraw/zinc/65/08/56/902650856.db2.gz LNNROTXYRSTCBL-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001403383319 902681532 /nfs/dbraw/zinc/68/15/32/902681532.db2.gz NGIBSMAHEMTVIN-QWRGUYRKSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001403383319 902681545 /nfs/dbraw/zinc/68/15/45/902681545.db2.gz NGIBSMAHEMTVIN-QWRGUYRKSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001403446897 902693671 /nfs/dbraw/zinc/69/36/71/902693671.db2.gz QDUFBFWVIOLCFZ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403465554 902695132 /nfs/dbraw/zinc/69/51/32/902695132.db2.gz JJCOGTHLFGUANK-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001403532553 902715901 /nfs/dbraw/zinc/71/59/01/902715901.db2.gz URXBBJWIDPNTRE-YPMHNXCESA-N 2 1 294.403 -0.154 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCN(C)[C@H]1CCCNC1=O ZINC001403744619 902833810 /nfs/dbraw/zinc/83/38/10/902833810.db2.gz XCMJNCYRLUMTRE-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@H]1CCCNC1=O ZINC001403744619 902833820 /nfs/dbraw/zinc/83/38/20/902833820.db2.gz XCMJNCYRLUMTRE-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@H]1CCCNC1=O ZINC001403744619 902833822 /nfs/dbraw/zinc/83/38/22/902833822.db2.gz XCMJNCYRLUMTRE-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@H]1CCCNC1=O ZINC001403744619 902833832 /nfs/dbraw/zinc/83/38/32/902833832.db2.gz XCMJNCYRLUMTRE-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001403744619 902833842 /nfs/dbraw/zinc/83/38/42/902833842.db2.gz XCMJNCYRLUMTRE-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP Cc1ncc(C[NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)o1 ZINC001403758440 902837437 /nfs/dbraw/zinc/83/74/37/902837437.db2.gz VVWCYBOZVXNISF-LBPRGKRZSA-N 2 1 296.371 -0.354 20 0 CBADMP Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001403762578 902844142 /nfs/dbraw/zinc/84/41/42/902844142.db2.gz STEWMPWPSQSCSV-GFCCVEGCSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001403762578 902844158 /nfs/dbraw/zinc/84/41/58/902844158.db2.gz STEWMPWPSQSCSV-GFCCVEGCSA-N 2 1 298.387 -0.110 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@H](C)C(=O)NC ZINC001403763682 902845067 /nfs/dbraw/zinc/84/50/67/902845067.db2.gz RAFVUDRVTPHFCN-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@H](C)C(=O)NC ZINC001403763682 902845075 /nfs/dbraw/zinc/84/50/75/902845075.db2.gz RAFVUDRVTPHFCN-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC ZINC001403763682 902845080 /nfs/dbraw/zinc/84/50/80/902845080.db2.gz RAFVUDRVTPHFCN-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC ZINC001403763682 902845090 /nfs/dbraw/zinc/84/50/90/902845090.db2.gz RAFVUDRVTPHFCN-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001403822500 902861654 /nfs/dbraw/zinc/86/16/54/902861654.db2.gz FXAWTWALFRHUDL-OLZOCXBDSA-N 2 1 287.404 -0.618 20 0 CBADMP CC(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001403822500 902861666 /nfs/dbraw/zinc/86/16/66/902861666.db2.gz FXAWTWALFRHUDL-OLZOCXBDSA-N 2 1 287.404 -0.618 20 0 CBADMP CCN1CCO[C@H](C(=O)NCC[N@@H+](CC)C[C@H](C)O)C1 ZINC001403949914 902910776 /nfs/dbraw/zinc/91/07/76/902910776.db2.gz OMBYTDPTIFUDDQ-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)C[C@H](C)O ZINC001403949914 902910788 /nfs/dbraw/zinc/91/07/88/902910788.db2.gz OMBYTDPTIFUDDQ-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)C[C@H](C)O ZINC001403949914 902910802 /nfs/dbraw/zinc/91/08/02/902910802.db2.gz OMBYTDPTIFUDDQ-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C[C@H](C)O ZINC001403949914 902910815 /nfs/dbraw/zinc/91/08/15/902910815.db2.gz OMBYTDPTIFUDDQ-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C[C@H](C)O ZINC001403949914 902910825 /nfs/dbraw/zinc/91/08/25/902910825.db2.gz OMBYTDPTIFUDDQ-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001403993873 902921461 /nfs/dbraw/zinc/92/14/61/902921461.db2.gz VUROWZOXVYONIN-NWDGAFQWSA-N 2 1 298.431 -0.066 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001404014135 902925196 /nfs/dbraw/zinc/92/51/96/902925196.db2.gz GLGPDOLRDSIEIS-VOMCLLRMSA-N 2 1 284.404 -0.219 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC(=O)N(C)C ZINC001404030822 902928394 /nfs/dbraw/zinc/92/83/94/902928394.db2.gz ZIZSXKISMFOCFZ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC(=O)N(C)C ZINC001404030822 902928406 /nfs/dbraw/zinc/92/84/06/902928406.db2.gz ZIZSXKISMFOCFZ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC001404030822 902928414 /nfs/dbraw/zinc/92/84/14/902928414.db2.gz ZIZSXKISMFOCFZ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N(C)C ZINC001404030822 902928423 /nfs/dbraw/zinc/92/84/23/902928423.db2.gz ZIZSXKISMFOCFZ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC(=O)N(C)C ZINC001404030820 902929147 /nfs/dbraw/zinc/92/91/47/902929147.db2.gz ZIZSXKISMFOCFZ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC(=O)N(C)C ZINC001404030820 902929162 /nfs/dbraw/zinc/92/91/62/902929162.db2.gz ZIZSXKISMFOCFZ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC001404030820 902929174 /nfs/dbraw/zinc/92/91/74/902929174.db2.gz ZIZSXKISMFOCFZ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1CC(=O)N(C)C ZINC001404030820 902929189 /nfs/dbraw/zinc/92/91/89/902929189.db2.gz ZIZSXKISMFOCFZ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@@H]1CCNC1=O ZINC001404029231 902929693 /nfs/dbraw/zinc/92/96/93/902929693.db2.gz WUMIZWAYWBLWRJ-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@@H]1CCNC1=O ZINC001404029231 902929698 /nfs/dbraw/zinc/92/96/98/902929698.db2.gz WUMIZWAYWBLWRJ-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001404029231 902929703 /nfs/dbraw/zinc/92/97/03/902929703.db2.gz WUMIZWAYWBLWRJ-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001404029231 902929708 /nfs/dbraw/zinc/92/97/08/902929708.db2.gz WUMIZWAYWBLWRJ-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001404098286 902939058 /nfs/dbraw/zinc/93/90/58/902939058.db2.gz ZPVIOOOCCKCUGC-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001404098286 902939070 /nfs/dbraw/zinc/93/90/70/902939070.db2.gz ZPVIOOOCCKCUGC-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404098286 902939079 /nfs/dbraw/zinc/93/90/79/902939079.db2.gz ZPVIOOOCCKCUGC-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001404084530 902939169 /nfs/dbraw/zinc/93/91/69/902939169.db2.gz MMXIXMRMOZSLDH-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O ZINC001404432215 902984981 /nfs/dbraw/zinc/98/49/81/902984981.db2.gz DJXBTKDOOYEFPG-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001404714409 903015928 /nfs/dbraw/zinc/01/59/28/903015928.db2.gz XEWLDYYTNKMUJS-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001404714409 903015939 /nfs/dbraw/zinc/01/59/39/903015939.db2.gz XEWLDYYTNKMUJS-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001404927149 903057125 /nfs/dbraw/zinc/05/71/25/903057125.db2.gz YVUZUJUVGWZMEH-YPMHNXCESA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001404927149 903057135 /nfs/dbraw/zinc/05/71/35/903057135.db2.gz YVUZUJUVGWZMEH-YPMHNXCESA-N 2 1 296.415 -0.360 20 0 CBADMP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](O)COC ZINC001404981146 903067434 /nfs/dbraw/zinc/06/74/34/903067434.db2.gz SGXCRQZSBTYKFH-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](O)COC ZINC001404981146 903067443 /nfs/dbraw/zinc/06/74/43/903067443.db2.gz SGXCRQZSBTYKFH-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)COC ZINC001404981146 903067459 /nfs/dbraw/zinc/06/74/59/903067459.db2.gz SGXCRQZSBTYKFH-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)COC ZINC001404981146 903067473 /nfs/dbraw/zinc/06/74/73/903067473.db2.gz SGXCRQZSBTYKFH-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001405133729 903090651 /nfs/dbraw/zinc/09/06/51/903090651.db2.gz PNQFRWFHDFWQPJ-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001405133729 903090667 /nfs/dbraw/zinc/09/06/67/903090667.db2.gz PNQFRWFHDFWQPJ-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ncnn1C ZINC001405297008 903141299 /nfs/dbraw/zinc/14/12/99/903141299.db2.gz UNRUIQFTHSMMGI-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001405796075 903219849 /nfs/dbraw/zinc/21/98/49/903219849.db2.gz WOAFZJAIRYNIPC-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001405824515 903229016 /nfs/dbraw/zinc/22/90/16/903229016.db2.gz ZCXWPQUDUVZKCG-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001405836111 903231179 /nfs/dbraw/zinc/23/11/79/903231179.db2.gz MFZMCCCQHCSJAE-MWLCHTKSSA-N 2 1 281.360 -0.498 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001405853052 903235552 /nfs/dbraw/zinc/23/55/52/903235552.db2.gz VGZWNODPJAZRJD-WCQYABFASA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001405853052 903235561 /nfs/dbraw/zinc/23/55/61/903235561.db2.gz VGZWNODPJAZRJD-WCQYABFASA-N 2 1 294.403 -0.154 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC001405876338 903242295 /nfs/dbraw/zinc/24/22/95/903242295.db2.gz NUEKCTNRMSUWKF-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001405891529 903243966 /nfs/dbraw/zinc/24/39/66/903243966.db2.gz MZIDPPSZDDDFER-ZYHUDNBSSA-N 2 1 293.371 -0.483 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001405900134 903245813 /nfs/dbraw/zinc/24/58/13/903245813.db2.gz PADBCBOSEVWFAJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001406098912 903267763 /nfs/dbraw/zinc/26/77/63/903267763.db2.gz BZQLOLLHASPQGZ-YPMHNXCESA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001406098912 903267774 /nfs/dbraw/zinc/26/77/74/903267774.db2.gz BZQLOLLHASPQGZ-YPMHNXCESA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001406154804 903281881 /nfs/dbraw/zinc/28/18/81/903281881.db2.gz QOILXWZKBUNWLX-NWDGAFQWSA-N 2 1 286.420 -0.163 20 0 CBADMP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001406154804 903281894 /nfs/dbraw/zinc/28/18/94/903281894.db2.gz QOILXWZKBUNWLX-NWDGAFQWSA-N 2 1 286.420 -0.163 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001406263111 903330962 /nfs/dbraw/zinc/33/09/62/903330962.db2.gz CMJOVCAMGLTDCD-DGCLKSJQSA-N 2 1 296.371 -0.417 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001406263111 903330975 /nfs/dbraw/zinc/33/09/75/903330975.db2.gz CMJOVCAMGLTDCD-DGCLKSJQSA-N 2 1 296.371 -0.417 20 0 CBADMP Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406293337 903348218 /nfs/dbraw/zinc/34/82/18/903348218.db2.gz QDDPPWXQGYKVMB-YPMHNXCESA-N 2 1 296.371 -0.499 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccnn1C ZINC001406315868 903354065 /nfs/dbraw/zinc/35/40/65/903354065.db2.gz ZJBAYQUUPDRLCL-CYBMUJFWSA-N 2 1 297.403 -0.673 20 0 CBADMP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnnn1C)[NH+](C)C ZINC001406366677 903377194 /nfs/dbraw/zinc/37/71/94/903377194.db2.gz UVFAONBIWIHPBR-OUAUKWLOSA-N 2 1 297.407 -0.294 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406365106 903378400 /nfs/dbraw/zinc/37/84/00/903378400.db2.gz ZBTGYTHXDLZLSX-FVCCEPFGSA-N 2 1 287.404 -0.572 20 0 CBADMP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001406378341 903380379 /nfs/dbraw/zinc/38/03/79/903380379.db2.gz JCYRSFPIVVQQLK-GHMZBOCLSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@H](CNCc1cnn(C)n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001406382360 903382001 /nfs/dbraw/zinc/38/20/01/903382001.db2.gz POZPLWCPOFIPAP-YPMHNXCESA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001406382360 903382026 /nfs/dbraw/zinc/38/20/26/903382026.db2.gz POZPLWCPOFIPAP-YPMHNXCESA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001406398417 903389740 /nfs/dbraw/zinc/38/97/40/903389740.db2.gz GKFIHMXPSYQRJC-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001406486388 903414404 /nfs/dbraw/zinc/41/44/04/903414404.db2.gz PCBXNAONWUEWPR-NWDGAFQWSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001406486388 903414413 /nfs/dbraw/zinc/41/44/13/903414413.db2.gz PCBXNAONWUEWPR-NWDGAFQWSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnnn1C ZINC001406552094 903429125 /nfs/dbraw/zinc/42/91/25/903429125.db2.gz ZTEUVAOMFOAXOC-QWRGUYRKSA-N 2 1 297.407 -0.293 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnnn1C ZINC001406552094 903429136 /nfs/dbraw/zinc/42/91/36/903429136.db2.gz ZTEUVAOMFOAXOC-QWRGUYRKSA-N 2 1 297.407 -0.293 20 0 CBADMP C[C@@H](C[N@@H+](C)CCN1CCCC1=O)NC(=O)CC[NH+](C)C ZINC001406648710 903455736 /nfs/dbraw/zinc/45/57/36/903455736.db2.gz ANZINGKBNHFOFL-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@H]1CCNC1=O ZINC001406694127 903465608 /nfs/dbraw/zinc/46/56/08/903465608.db2.gz LLKHMXIOJAPTJN-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@H]1CCNC1=O ZINC001406694127 903465612 /nfs/dbraw/zinc/46/56/12/903465612.db2.gz LLKHMXIOJAPTJN-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001406694127 903465616 /nfs/dbraw/zinc/46/56/16/903465616.db2.gz LLKHMXIOJAPTJN-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001406694127 903465621 /nfs/dbraw/zinc/46/56/21/903465621.db2.gz LLKHMXIOJAPTJN-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+](C)CCOC)C1 ZINC001406714358 903469023 /nfs/dbraw/zinc/46/90/23/903469023.db2.gz WMXDWFDFWPJMRZ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+](C)CCOC)C1 ZINC001406714358 903469031 /nfs/dbraw/zinc/46/90/31/903469031.db2.gz WMXDWFDFWPJMRZ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)C[N@H+](C)CCOC)C1 ZINC001406714358 903469043 /nfs/dbraw/zinc/46/90/43/903469043.db2.gz WMXDWFDFWPJMRZ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)C[N@@H+](C)CCOC)C1 ZINC001406714358 903469054 /nfs/dbraw/zinc/46/90/54/903469054.db2.gz WMXDWFDFWPJMRZ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001406852137 903492409 /nfs/dbraw/zinc/49/24/09/903492409.db2.gz GVNJQWOCHZKUCN-KBPBESRZSA-N 2 1 299.415 -0.474 20 0 CBADMP Cn1cc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)nn1 ZINC001406951941 903518615 /nfs/dbraw/zinc/51/86/15/903518615.db2.gz GTKNSANZKWCDDS-UHFFFAOYSA-N 2 1 280.376 -0.495 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001407167353 903552705 /nfs/dbraw/zinc/55/27/05/903552705.db2.gz ZJZUHHBXGHQUOL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)CC1 ZINC001407362999 903579358 /nfs/dbraw/zinc/57/93/58/903579358.db2.gz KCHCVMHBKATTIX-AWEZNQCLSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)CC1 ZINC001407362999 903579355 /nfs/dbraw/zinc/57/93/55/903579355.db2.gz KCHCVMHBKATTIX-AWEZNQCLSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@]2(O)CC[N@H+](CCF)C2)CC1 ZINC001407363000 903580338 /nfs/dbraw/zinc/58/03/38/903580338.db2.gz KCHCVMHBKATTIX-CQSZACIVSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)CC1 ZINC001407363000 903580355 /nfs/dbraw/zinc/58/03/55/903580355.db2.gz KCHCVMHBKATTIX-CQSZACIVSA-N 2 1 287.379 -0.149 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001407365101 903581040 /nfs/dbraw/zinc/58/10/40/903581040.db2.gz NTVHUJJMCKVALU-CYBMUJFWSA-N 2 1 273.377 -0.863 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001407369871 903582544 /nfs/dbraw/zinc/58/25/44/903582544.db2.gz SOKJFGVKNHSBEF-IUODEOHRSA-N 2 1 299.415 -0.738 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCCF)C1 ZINC001407387568 903591246 /nfs/dbraw/zinc/59/12/46/903591246.db2.gz UUHIBLYMONARBO-TZMCWYRMSA-N 2 1 287.379 -0.007 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCCF)C1 ZINC001407387568 903591259 /nfs/dbraw/zinc/59/12/59/903591259.db2.gz UUHIBLYMONARBO-TZMCWYRMSA-N 2 1 287.379 -0.007 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001407387568 903591272 /nfs/dbraw/zinc/59/12/72/903591272.db2.gz UUHIBLYMONARBO-TZMCWYRMSA-N 2 1 287.379 -0.007 20 0 CBADMP CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001407645419 903638979 /nfs/dbraw/zinc/63/89/79/903638979.db2.gz UNMREAATASFEKK-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001407645419 903638984 /nfs/dbraw/zinc/63/89/84/903638984.db2.gz UNMREAATASFEKK-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@]2(CO)CCC[N@H+](CC)C2)C1 ZINC001407645419 903638988 /nfs/dbraw/zinc/63/89/88/903638988.db2.gz UNMREAATASFEKK-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CC)C2)C1 ZINC001407645419 903638992 /nfs/dbraw/zinc/63/89/92/903638992.db2.gz UNMREAATASFEKK-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001407823918 903665096 /nfs/dbraw/zinc/66/50/96/903665096.db2.gz HGEYPUIVRQQJJC-UHFFFAOYSA-N 2 1 270.377 -0.558 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001407883414 903674874 /nfs/dbraw/zinc/67/48/74/903674874.db2.gz YJPLCEHCZNXQBD-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001407883414 903674880 /nfs/dbraw/zinc/67/48/80/903674880.db2.gz YJPLCEHCZNXQBD-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001407883414 903674889 /nfs/dbraw/zinc/67/48/89/903674889.db2.gz YJPLCEHCZNXQBD-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001407948871 903678738 /nfs/dbraw/zinc/67/87/38/903678738.db2.gz RHAIOGQGTYUMLY-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP COCC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001407905899 903680977 /nfs/dbraw/zinc/68/09/77/903680977.db2.gz KYUDVHDZSCJONY-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP COCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001407905899 903680984 /nfs/dbraw/zinc/68/09/84/903680984.db2.gz KYUDVHDZSCJONY-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP COCC[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001407905899 903680993 /nfs/dbraw/zinc/68/09/93/903680993.db2.gz KYUDVHDZSCJONY-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP COCC[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001407905899 903681001 /nfs/dbraw/zinc/68/10/01/903681001.db2.gz KYUDVHDZSCJONY-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCC[NH+](C)CCO)C1 ZINC001407954566 903683664 /nfs/dbraw/zinc/68/36/64/903683664.db2.gz JEHAUIBUCABJIF-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CCC[NH+](C)CCO)C1 ZINC001407954566 903683674 /nfs/dbraw/zinc/68/36/74/903683674.db2.gz JEHAUIBUCABJIF-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)CCC[N@H+](C)CCO)C1 ZINC001407954566 903683681 /nfs/dbraw/zinc/68/36/81/903683681.db2.gz JEHAUIBUCABJIF-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)CCC[N@@H+](C)CCO)C1 ZINC001407954566 903683686 /nfs/dbraw/zinc/68/36/86/903683686.db2.gz JEHAUIBUCABJIF-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001408097485 903708183 /nfs/dbraw/zinc/70/81/83/903708183.db2.gz JDOYHPPWKSWNOC-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001408113110 903711812 /nfs/dbraw/zinc/71/18/12/903711812.db2.gz YOCHCBCNTNDGQE-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001408173101 903724114 /nfs/dbraw/zinc/72/41/14/903724114.db2.gz HERBWNLZRAVULX-XQQFMLRXSA-N 2 1 287.404 -0.428 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)CC[NH+](C)C ZINC001408336219 903751867 /nfs/dbraw/zinc/75/18/67/903751867.db2.gz SCNOSDLXTOZBJT-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH+](C)CCC(=O)NCC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001409176514 903864538 /nfs/dbraw/zinc/86/45/38/903864538.db2.gz CKDXHIJNRWGMNK-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@@H+](CC(=O)NC1CC(C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001409296291 903878595 /nfs/dbraw/zinc/87/85/95/903878595.db2.gz JHVIJYNXSHRSCE-UHFFFAOYSA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)[C@@H](C)C(N)=O ZINC001409568567 903928708 /nfs/dbraw/zinc/92/87/08/903928708.db2.gz QGZHAZIAODRNIJ-MNOVXSKESA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)[C@@H](C)C(N)=O ZINC001409568567 903928721 /nfs/dbraw/zinc/92/87/21/903928721.db2.gz QGZHAZIAODRNIJ-MNOVXSKESA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)[C@@H](C)C(N)=O ZINC001409568567 903928732 /nfs/dbraw/zinc/92/87/32/903928732.db2.gz QGZHAZIAODRNIJ-MNOVXSKESA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001409568567 903928742 /nfs/dbraw/zinc/92/87/42/903928742.db2.gz QGZHAZIAODRNIJ-MNOVXSKESA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)CC(N)=O ZINC001409634422 903942542 /nfs/dbraw/zinc/94/25/42/903942542.db2.gz TVWGAVURHFOKAQ-JTQLQIEISA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@@H+](C)CC(N)=O ZINC001409634422 903942556 /nfs/dbraw/zinc/94/25/56/903942556.db2.gz TVWGAVURHFOKAQ-JTQLQIEISA-N 2 1 270.377 -0.750 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001409651354 903952349 /nfs/dbraw/zinc/95/23/49/903952349.db2.gz SGCYWWVVFSXWLY-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001409651354 903952362 /nfs/dbraw/zinc/95/23/62/903952362.db2.gz SGCYWWVVFSXWLY-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001409682734 903957001 /nfs/dbraw/zinc/95/70/01/903957001.db2.gz NSXIIRMMQDXZTG-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001409905514 903982495 /nfs/dbraw/zinc/98/24/95/903982495.db2.gz GPEVXTFIPZFVSE-RYUDHWBXSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CC(N)=O)C2 ZINC001410173650 904034655 /nfs/dbraw/zinc/03/46/55/904034655.db2.gz UFFRBZUEIJDMQA-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CC(N)=O)C2 ZINC001410173650 904034658 /nfs/dbraw/zinc/03/46/58/904034658.db2.gz UFFRBZUEIJDMQA-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2 ZINC001410173650 904034669 /nfs/dbraw/zinc/03/46/69/904034669.db2.gz UFFRBZUEIJDMQA-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC001410173650 904034680 /nfs/dbraw/zinc/03/46/80/904034680.db2.gz UFFRBZUEIJDMQA-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001410205297 904045113 /nfs/dbraw/zinc/04/51/13/904045113.db2.gz FMPCAZCDKCVZGA-SRVKXCTJSA-N 2 1 293.371 -0.450 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001410205296 904046669 /nfs/dbraw/zinc/04/66/69/904046669.db2.gz FMPCAZCDKCVZGA-IJLUTSLNSA-N 2 1 293.371 -0.450 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410379544 904085038 /nfs/dbraw/zinc/08/50/38/904085038.db2.gz NDFUXYMQIKCIFP-QJPTWQEYSA-N 2 1 284.404 -0.491 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001410392349 904086787 /nfs/dbraw/zinc/08/67/87/904086787.db2.gz KBVBYNHFXBCFGB-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001410477701 904104624 /nfs/dbraw/zinc/10/46/24/904104624.db2.gz BLIUYLUCDCUFHP-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001410565775 904127793 /nfs/dbraw/zinc/12/77/93/904127793.db2.gz HJHGHIAANWVBIL-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001410565825 904128221 /nfs/dbraw/zinc/12/82/21/904128221.db2.gz HJHGHIAANWVBIL-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC2CCC2)C1 ZINC001410589193 904137489 /nfs/dbraw/zinc/13/74/89/904137489.db2.gz YAMOQECRUXKRBG-CHWSQXEVSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC2CCC2)C1 ZINC001410589193 904137495 /nfs/dbraw/zinc/13/74/95/904137495.db2.gz YAMOQECRUXKRBG-CHWSQXEVSA-N 2 1 285.388 -0.816 20 0 CBADMP CC(C)CC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001410588628 904138752 /nfs/dbraw/zinc/13/87/52/904138752.db2.gz XAACJNVSIBKYMM-QWHCGFSZSA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)CC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001410588628 904138757 /nfs/dbraw/zinc/13/87/57/904138757.db2.gz XAACJNVSIBKYMM-QWHCGFSZSA-N 2 1 287.404 -0.570 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](CO)[NH2+]CCO)C1 ZINC001410718844 904170143 /nfs/dbraw/zinc/17/01/43/904170143.db2.gz BVCHELNAUKYPRJ-QWHCGFSZSA-N 2 1 287.404 -0.833 20 0 CBADMP Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001410797724 904186413 /nfs/dbraw/zinc/18/64/13/904186413.db2.gz ZNZNSFZIPGBXAP-VXGBXAGGSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001410797724 904186421 /nfs/dbraw/zinc/18/64/21/904186421.db2.gz ZNZNSFZIPGBXAP-VXGBXAGGSA-N 2 1 296.371 -0.499 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC001410939677 904205992 /nfs/dbraw/zinc/20/59/92/904205992.db2.gz NSJXJRAJBFTGPD-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001412539227 904614467 /nfs/dbraw/zinc/61/44/67/904614467.db2.gz HKJMQMWHXXUPRA-JLLWLGSASA-N 2 1 293.371 -0.477 20 0 CBADMP CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001412539227 904614471 /nfs/dbraw/zinc/61/44/71/904614471.db2.gz HKJMQMWHXXUPRA-JLLWLGSASA-N 2 1 293.371 -0.477 20 0 CBADMP CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001412539227 904614477 /nfs/dbraw/zinc/61/44/77/904614477.db2.gz HKJMQMWHXXUPRA-JLLWLGSASA-N 2 1 293.371 -0.477 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC001412995180 904854653 /nfs/dbraw/zinc/85/46/53/904854653.db2.gz LCAHOJLSLWRLNU-OCCSQVGLSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC001412995180 904854663 /nfs/dbraw/zinc/85/46/63/904854663.db2.gz LCAHOJLSLWRLNU-OCCSQVGLSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001412995180 904854671 /nfs/dbraw/zinc/85/46/71/904854671.db2.gz LCAHOJLSLWRLNU-OCCSQVGLSA-N 2 1 271.405 -0.560 20 0 CBADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3C[C@@H](O)C3)cn2)CC1 ZINC001461583303 914861824 /nfs/dbraw/zinc/86/18/24/914861824.db2.gz YHCYFJIMNRKEGC-BETUJISGSA-N 2 1 277.372 -0.159 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)[C@H]1CCC[NH+]1C ZINC001415238347 905587349 /nfs/dbraw/zinc/58/73/49/905587349.db2.gz DTWIDCRVOCELCK-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001415238347 905587367 /nfs/dbraw/zinc/58/73/67/905587367.db2.gz DTWIDCRVOCELCK-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001415238347 905587386 /nfs/dbraw/zinc/58/73/86/905587386.db2.gz DTWIDCRVOCELCK-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001416821858 905809196 /nfs/dbraw/zinc/80/91/96/905809196.db2.gz PPGFRXMVTQUECU-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001416821858 905809208 /nfs/dbraw/zinc/80/92/08/905809208.db2.gz PPGFRXMVTQUECU-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001416821858 905809220 /nfs/dbraw/zinc/80/92/20/905809220.db2.gz PPGFRXMVTQUECU-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001417021515 905852630 /nfs/dbraw/zinc/85/26/30/905852630.db2.gz LWNSIUYPLIFHKO-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+](CC(=O)NCC1(O)CC[NH+](C)CC1)[C@@H]1CCC[C@H]1O ZINC001417652474 905961099 /nfs/dbraw/zinc/96/10/99/905961099.db2.gz VGMCXQHDUWNEIU-CHWSQXEVSA-N 2 1 299.415 -0.596 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001417776552 906047446 /nfs/dbraw/zinc/04/74/46/906047446.db2.gz VMNAHJMOTBQUQI-RWMBFGLXSA-N 2 1 298.431 -0.053 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001417810929 906057174 /nfs/dbraw/zinc/05/71/74/906057174.db2.gz DRNABRCYWLJANC-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001418007896 906134473 /nfs/dbraw/zinc/13/44/73/906134473.db2.gz BXGZWFFUCJGOAQ-JQWIXIFHSA-N 2 1 282.388 -0.702 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001418052656 906152464 /nfs/dbraw/zinc/15/24/64/906152464.db2.gz ZNVNVIKSIBZTIP-QWRGUYRKSA-N 2 1 270.377 -0.609 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001418058126 906155764 /nfs/dbraw/zinc/15/57/64/906155764.db2.gz MOHROVVGSWSLNX-FPYNETTCSA-N 2 1 296.415 -0.302 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)COC)C2)C1 ZINC001418110950 906172216 /nfs/dbraw/zinc/17/22/16/906172216.db2.gz FJIXALWOZCGHBD-IGQOVBAYSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)COC)C2)C1 ZINC001418110950 906172221 /nfs/dbraw/zinc/17/22/21/906172221.db2.gz FJIXALWOZCGHBD-IGQOVBAYSA-N 2 1 299.415 -0.021 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21)[NH+](C)C ZINC001418182235 906189407 /nfs/dbraw/zinc/18/94/07/906189407.db2.gz DDHASRBHEDECQA-YYHQMBLXSA-N 2 1 296.415 -0.507 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21)[NH+](C)C ZINC001418182235 906189418 /nfs/dbraw/zinc/18/94/18/906189418.db2.gz DDHASRBHEDECQA-YYHQMBLXSA-N 2 1 296.415 -0.507 20 0 CBADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001418225553 906225484 /nfs/dbraw/zinc/22/54/84/906225484.db2.gz ANHJMHJSMPFUDO-MNOVXSKESA-N 2 1 295.387 -0.024 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](C)[NH2+]CC(N)=O)CC2 ZINC001418270736 906246107 /nfs/dbraw/zinc/24/61/07/906246107.db2.gz OCKCJMSVWXJZCS-MWLCHTKSSA-N 2 1 293.371 -0.666 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001418284534 906257989 /nfs/dbraw/zinc/25/79/89/906257989.db2.gz OJJSNJFBCDJDDN-GHMZBOCLSA-N 2 1 295.387 -0.025 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001418296905 906270564 /nfs/dbraw/zinc/27/05/64/906270564.db2.gz CHTPHZGXSNRAGC-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001418352046 906296167 /nfs/dbraw/zinc/29/61/67/906296167.db2.gz GVTISDKOVSEWID-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001418356906 906297101 /nfs/dbraw/zinc/29/71/01/906297101.db2.gz NHRMPNUBNKOMPG-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418432250 906321457 /nfs/dbraw/zinc/32/14/57/906321457.db2.gz HZHGAFHSNQORND-WDEREUQCSA-N 2 1 270.377 -0.832 20 0 CBADMP CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@@H](O)COC ZINC001418570282 906413931 /nfs/dbraw/zinc/41/39/31/906413931.db2.gz JIPPUVCDGYWUNY-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001418638460 906432384 /nfs/dbraw/zinc/43/23/84/906432384.db2.gz JWNUYUSJZNSVMY-NSHDSACASA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001418638460 906432389 /nfs/dbraw/zinc/43/23/89/906432389.db2.gz JWNUYUSJZNSVMY-NSHDSACASA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001418638460 906432397 /nfs/dbraw/zinc/43/23/97/906432397.db2.gz JWNUYUSJZNSVMY-NSHDSACASA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001418638460 906432402 /nfs/dbraw/zinc/43/24/02/906432402.db2.gz JWNUYUSJZNSVMY-NSHDSACASA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@H](C)C(N)=O ZINC001418632730 906432831 /nfs/dbraw/zinc/43/28/31/906432831.db2.gz GCLOSKLRPZCVIR-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@H](C)C(N)=O ZINC001418632730 906432836 /nfs/dbraw/zinc/43/28/36/906432836.db2.gz GCLOSKLRPZCVIR-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001418632730 906432843 /nfs/dbraw/zinc/43/28/43/906432843.db2.gz GCLOSKLRPZCVIR-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001418632730 906432850 /nfs/dbraw/zinc/43/28/50/906432850.db2.gz GCLOSKLRPZCVIR-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001418646688 906437688 /nfs/dbraw/zinc/43/76/88/906437688.db2.gz MATFBGWYRMOCCN-FQUUOJAGSA-N 2 1 299.415 -0.570 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001418670607 906443784 /nfs/dbraw/zinc/44/37/84/906443784.db2.gz HAMKWKWIKSMPHY-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001418692124 906450811 /nfs/dbraw/zinc/45/08/11/906450811.db2.gz RNCDNGRZMSAGOT-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001418692124 906450821 /nfs/dbraw/zinc/45/08/21/906450821.db2.gz RNCDNGRZMSAGOT-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001418692124 906450836 /nfs/dbraw/zinc/45/08/36/906450836.db2.gz RNCDNGRZMSAGOT-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H](C)C(N)=O ZINC001418728031 906457835 /nfs/dbraw/zinc/45/78/35/906457835.db2.gz CKHPTIGQPFPFAV-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C)C(N)=O ZINC001418728031 906457844 /nfs/dbraw/zinc/45/78/44/906457844.db2.gz CKHPTIGQPFPFAV-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)C(N)=O ZINC001418728031 906457851 /nfs/dbraw/zinc/45/78/51/906457851.db2.gz CKHPTIGQPFPFAV-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001418821803 906490826 /nfs/dbraw/zinc/49/08/26/906490826.db2.gz MAUJPKFBIKCNCE-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001418836234 906495499 /nfs/dbraw/zinc/49/54/99/906495499.db2.gz YHLTXGKCENAMAZ-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=O)NC ZINC001418854670 906500083 /nfs/dbraw/zinc/50/00/83/906500083.db2.gz XJGLVBNUFGKJKK-BETUJISGSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001418942657 906523874 /nfs/dbraw/zinc/52/38/74/906523874.db2.gz VUGJSVXMRLKYIP-LBPRGKRZSA-N 2 1 296.415 -0.406 20 0 CBADMP CCCNC(=O)CN1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001419030746 906570816 /nfs/dbraw/zinc/57/08/16/906570816.db2.gz ZGYLBBCYOTZZAK-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CCCNC(=O)CN1CC(CNC(=O)[C@H]2CCCN2C)C1 ZINC001419030746 906570825 /nfs/dbraw/zinc/57/08/25/906570825.db2.gz ZGYLBBCYOTZZAK-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CCN1CCO[C@H](C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)C1 ZINC001419122468 906603167 /nfs/dbraw/zinc/60/31/67/906603167.db2.gz XHUQHTIRDPYPMT-MJBXVCDLSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001419122468 906603181 /nfs/dbraw/zinc/60/31/81/906603181.db2.gz XHUQHTIRDPYPMT-MJBXVCDLSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001419122468 906603190 /nfs/dbraw/zinc/60/31/90/906603190.db2.gz XHUQHTIRDPYPMT-MJBXVCDLSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)C1 ZINC001419122468 906603199 /nfs/dbraw/zinc/60/31/99/906603199.db2.gz XHUQHTIRDPYPMT-MJBXVCDLSA-N 2 1 297.399 -0.625 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001419174673 906623661 /nfs/dbraw/zinc/62/36/61/906623661.db2.gz PEYBIPURHQSMSE-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001419174673 906623679 /nfs/dbraw/zinc/62/36/79/906623679.db2.gz PEYBIPURHQSMSE-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001419173897 906624144 /nfs/dbraw/zinc/62/41/44/906624144.db2.gz LJKNPIZQYSKALB-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001419173897 906624154 /nfs/dbraw/zinc/62/41/54/906624154.db2.gz LJKNPIZQYSKALB-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001419173067 906626350 /nfs/dbraw/zinc/62/63/50/906626350.db2.gz DGLOVVDJVDCBNO-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001419173067 906626359 /nfs/dbraw/zinc/62/63/59/906626359.db2.gz DGLOVVDJVDCBNO-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001419173066 906626489 /nfs/dbraw/zinc/62/64/89/906626489.db2.gz DGLOVVDJVDCBNO-NWDGAFQWSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001419173066 906626502 /nfs/dbraw/zinc/62/65/02/906626502.db2.gz DGLOVVDJVDCBNO-NWDGAFQWSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001419223450 906641950 /nfs/dbraw/zinc/64/19/50/906641950.db2.gz QETUMDOQTATOBX-SRVKXCTJSA-N 2 1 284.404 -0.314 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001419315271 906661072 /nfs/dbraw/zinc/66/10/72/906661072.db2.gz AKQKONQKDQFKOU-WCQYABFASA-N 2 1 298.431 -0.055 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CCO)C2CC2)C1 ZINC001419315654 906663847 /nfs/dbraw/zinc/66/38/47/906663847.db2.gz BWYLTGBZXBRMTF-QWHCGFSZSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CCO)C2CC2)C1 ZINC001419315654 906663854 /nfs/dbraw/zinc/66/38/54/906663854.db2.gz BWYLTGBZXBRMTF-QWHCGFSZSA-N 2 1 285.388 -0.816 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001419384035 906673381 /nfs/dbraw/zinc/67/33/81/906673381.db2.gz UPNXZVHVMSNRTH-NSHDSACASA-N 2 1 279.344 -0.872 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001419380936 906673990 /nfs/dbraw/zinc/67/39/90/906673990.db2.gz VSNBZWUAFPNADA-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001419380936 906674005 /nfs/dbraw/zinc/67/40/05/906674005.db2.gz VSNBZWUAFPNADA-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001419412183 906683193 /nfs/dbraw/zinc/68/31/93/906683193.db2.gz JQIFXXMFYXUROK-FDYHWXHSSA-N 2 1 296.415 -0.301 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001419504217 906709697 /nfs/dbraw/zinc/70/96/97/906709697.db2.gz BUKJPBOCARLDRC-UTUOFQBUSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001419538276 906718358 /nfs/dbraw/zinc/71/83/58/906718358.db2.gz FPFORSKQNGXTHZ-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001419560234 906725693 /nfs/dbraw/zinc/72/56/93/906725693.db2.gz RFNJAZQLIJBVHY-LBPRGKRZSA-N 2 1 282.388 -0.604 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001419560234 906725703 /nfs/dbraw/zinc/72/57/03/906725703.db2.gz RFNJAZQLIJBVHY-LBPRGKRZSA-N 2 1 282.388 -0.604 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001419708794 906776651 /nfs/dbraw/zinc/77/66/51/906776651.db2.gz KGRLTABZCZLHRY-WDEREUQCSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001419708794 906776665 /nfs/dbraw/zinc/77/66/65/906776665.db2.gz KGRLTABZCZLHRY-WDEREUQCSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001419708778 906778369 /nfs/dbraw/zinc/77/83/69/906778369.db2.gz KGRLTABZCZLHRY-GHMZBOCLSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001419708778 906778383 /nfs/dbraw/zinc/77/83/83/906778383.db2.gz KGRLTABZCZLHRY-GHMZBOCLSA-N 2 1 280.376 -0.496 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001419747671 906800425 /nfs/dbraw/zinc/80/04/25/906800425.db2.gz NZRLMLXGQVBBSN-WCQYABFASA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001419747669 906801481 /nfs/dbraw/zinc/80/14/81/906801481.db2.gz NZRLMLXGQVBBSN-DGCLKSJQSA-N 2 1 298.387 -0.365 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001419766020 906807952 /nfs/dbraw/zinc/80/79/52/906807952.db2.gz MQWDPUZCDUKARN-QWRGUYRKSA-N 2 1 272.393 -0.363 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H]1CCCNC1=O ZINC001419778413 906810175 /nfs/dbraw/zinc/81/01/75/906810175.db2.gz PXRQAOKKQIPSBR-YPMHNXCESA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H]1CCCNC1=O ZINC001419778402 906812528 /nfs/dbraw/zinc/81/25/28/906812528.db2.gz PXRQAOKKQIPSBR-AAEUAGOBSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1nnnn1C ZINC001419782689 906815885 /nfs/dbraw/zinc/81/58/85/906815885.db2.gz ZSGWJAOTMPOFPV-JTQLQIEISA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1nnnn1C ZINC001419782689 906815898 /nfs/dbraw/zinc/81/58/98/906815898.db2.gz ZSGWJAOTMPOFPV-JTQLQIEISA-N 2 1 295.391 -0.711 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419799674 906816380 /nfs/dbraw/zinc/81/63/80/906816380.db2.gz RZRGOFZQHNVHCA-OLZOCXBDSA-N 2 1 298.431 -0.195 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001419787490 906816684 /nfs/dbraw/zinc/81/66/84/906816684.db2.gz HFNQDRINUFAYQK-GXSJLCMTSA-N 2 1 281.360 -0.580 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001419891712 906851834 /nfs/dbraw/zinc/85/18/34/906851834.db2.gz CNCWJDXDLWVVHP-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001419925264 906858058 /nfs/dbraw/zinc/85/80/58/906858058.db2.gz OQWYSAWTICYSEJ-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001419925264 906858072 /nfs/dbraw/zinc/85/80/72/906858072.db2.gz OQWYSAWTICYSEJ-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC ZINC001419928670 906860337 /nfs/dbraw/zinc/86/03/37/906860337.db2.gz AGAXGJBNXYMRFV-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001419955018 906871597 /nfs/dbraw/zinc/87/15/97/906871597.db2.gz ZLDARMLZUSYOOR-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001419955018 906871615 /nfs/dbraw/zinc/87/16/15/906871615.db2.gz ZLDARMLZUSYOOR-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001419955018 906871632 /nfs/dbraw/zinc/87/16/32/906871632.db2.gz ZLDARMLZUSYOOR-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001419955018 906871650 /nfs/dbraw/zinc/87/16/50/906871650.db2.gz ZLDARMLZUSYOOR-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP COC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001419963195 906877121 /nfs/dbraw/zinc/87/71/21/906877121.db2.gz XUXREMBTJJCSJQ-QWHCGFSZSA-N 2 1 287.404 -0.258 20 0 CBADMP COC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001419963195 906877135 /nfs/dbraw/zinc/87/71/35/906877135.db2.gz XUXREMBTJJCSJQ-QWHCGFSZSA-N 2 1 287.404 -0.258 20 0 CBADMP COC[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001419963195 906877145 /nfs/dbraw/zinc/87/71/45/906877145.db2.gz XUXREMBTJJCSJQ-QWHCGFSZSA-N 2 1 287.404 -0.258 20 0 CBADMP COC[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001419963195 906877151 /nfs/dbraw/zinc/87/71/51/906877151.db2.gz XUXREMBTJJCSJQ-QWHCGFSZSA-N 2 1 287.404 -0.258 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001420005471 906894639 /nfs/dbraw/zinc/89/46/39/906894639.db2.gz GQCRRDVADIUDFP-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001420006770 906897094 /nfs/dbraw/zinc/89/70/94/906897094.db2.gz MMONJKCIOHNIBT-LLVKDONJSA-N 2 1 272.393 -0.537 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001420006770 906897102 /nfs/dbraw/zinc/89/71/02/906897102.db2.gz MMONJKCIOHNIBT-LLVKDONJSA-N 2 1 272.393 -0.537 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001420013450 906897871 /nfs/dbraw/zinc/89/78/71/906897871.db2.gz PVWRTKKADMEPGC-QWRGUYRKSA-N 2 1 272.393 -0.409 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001420013450 906897857 /nfs/dbraw/zinc/89/78/57/906897857.db2.gz PVWRTKKADMEPGC-QWRGUYRKSA-N 2 1 272.393 -0.409 20 0 CBADMP C[C@H](CCNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]CCO ZINC001420089616 906930583 /nfs/dbraw/zinc/93/05/83/906930583.db2.gz BOYONRQHPFQAJW-SNVBAGLBSA-N 2 1 284.360 -0.174 20 0 CBADMP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001420169102 906984993 /nfs/dbraw/zinc/98/49/93/906984993.db2.gz JCUUBTVSBBVFIU-CHWSQXEVSA-N 2 1 295.387 -0.919 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001420246394 907043784 /nfs/dbraw/zinc/04/37/84/907043784.db2.gz OUSIXFAJKHNCQX-NEPJUHHUSA-N 2 1 284.404 -0.301 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001420270072 907059377 /nfs/dbraw/zinc/05/93/77/907059377.db2.gz BGCBNDBZECTSHE-VXGBXAGGSA-N 2 1 284.404 -0.301 20 0 CBADMP CCN1CC[C@H]([N@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001420288071 907073964 /nfs/dbraw/zinc/07/39/64/907073964.db2.gz BSPBWOTYAANHFF-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCN1CC[C@H]([N@@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001420288071 907073979 /nfs/dbraw/zinc/07/39/79/907073979.db2.gz BSPBWOTYAANHFF-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)CCN1CCNC1=O)[NH+](C)C ZINC001420302759 907086344 /nfs/dbraw/zinc/08/63/44/907086344.db2.gz ZQQQGDLXLIRRAS-LBPRGKRZSA-N 2 1 299.419 -0.600 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001420360167 907122479 /nfs/dbraw/zinc/12/24/79/907122479.db2.gz MFUDWVFWKLUQGK-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420373247 907129686 /nfs/dbraw/zinc/12/96/86/907129686.db2.gz RPAJYBXCROECGX-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420373247 907129696 /nfs/dbraw/zinc/12/96/96/907129696.db2.gz RPAJYBXCROECGX-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001420424044 907153417 /nfs/dbraw/zinc/15/34/17/907153417.db2.gz OSXWTMFSQHWNDS-RYUDHWBXSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001420433355 907160829 /nfs/dbraw/zinc/16/08/29/907160829.db2.gz JUABXGDQHTUPSB-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC ZINC001420437608 907160973 /nfs/dbraw/zinc/16/09/73/907160973.db2.gz MMRXSRKGVQQBBL-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC ZINC001420437608 907160985 /nfs/dbraw/zinc/16/09/85/907160985.db2.gz MMRXSRKGVQQBBL-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)NC ZINC001420437608 907160993 /nfs/dbraw/zinc/16/09/93/907160993.db2.gz MMRXSRKGVQQBBL-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC ZINC001420437608 907160996 /nfs/dbraw/zinc/16/09/96/907160996.db2.gz MMRXSRKGVQQBBL-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001420433133 907162176 /nfs/dbraw/zinc/16/21/76/907162176.db2.gz CRFPFJIIZZTQNG-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCNC1=O ZINC001420433133 907162188 /nfs/dbraw/zinc/16/21/88/907162188.db2.gz CRFPFJIIZZTQNG-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC001420433133 907162198 /nfs/dbraw/zinc/16/21/98/907162198.db2.gz CRFPFJIIZZTQNG-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)C[NH+]1CCCC1 ZINC001420509012 907187182 /nfs/dbraw/zinc/18/71/82/907187182.db2.gz BOAJCBZQNZTQRT-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ncnn1C ZINC001420515220 907193365 /nfs/dbraw/zinc/19/33/65/907193365.db2.gz FVARLFUXPDGILU-NSHDSACASA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ncnn1C ZINC001420515220 907193380 /nfs/dbraw/zinc/19/33/80/907193380.db2.gz FVARLFUXPDGILU-NSHDSACASA-N 2 1 282.392 -0.250 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001420562937 907215432 /nfs/dbraw/zinc/21/54/32/907215432.db2.gz IRBIRLXZIALESI-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001420562937 907215454 /nfs/dbraw/zinc/21/54/54/907215454.db2.gz IRBIRLXZIALESI-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001420562937 907215470 /nfs/dbraw/zinc/21/54/70/907215470.db2.gz IRBIRLXZIALESI-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP COC[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001420602364 907234351 /nfs/dbraw/zinc/23/43/51/907234351.db2.gz APTDCBOVISLTSJ-AAEUAGOBSA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001420602364 907234360 /nfs/dbraw/zinc/23/43/60/907234360.db2.gz APTDCBOVISLTSJ-AAEUAGOBSA-N 2 1 298.387 -0.365 20 0 CBADMP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(=O)NC ZINC001420623588 907243803 /nfs/dbraw/zinc/24/38/03/907243803.db2.gz XZQMVCRKFZXOIW-UHFFFAOYSA-N 2 1 296.415 -0.344 20 0 CBADMP CCC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(=O)NC ZINC001420623588 907243819 /nfs/dbraw/zinc/24/38/19/907243819.db2.gz XZQMVCRKFZXOIW-UHFFFAOYSA-N 2 1 296.415 -0.344 20 0 CBADMP C[C@H](C(N)=O)N(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001420663875 907263241 /nfs/dbraw/zinc/26/32/41/907263241.db2.gz MEKVOFHZBZLTDX-NQBHXWOUSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001420663875 907263256 /nfs/dbraw/zinc/26/32/56/907263256.db2.gz MEKVOFHZBZLTDX-NQBHXWOUSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001420663875 907263268 /nfs/dbraw/zinc/26/32/68/907263268.db2.gz MEKVOFHZBZLTDX-NQBHXWOUSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001420663875 907263280 /nfs/dbraw/zinc/26/32/80/907263280.db2.gz MEKVOFHZBZLTDX-NQBHXWOUSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001420663875 907263292 /nfs/dbraw/zinc/26/32/92/907263292.db2.gz MEKVOFHZBZLTDX-NQBHXWOUSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(N)=O)[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001420690607 907271158 /nfs/dbraw/zinc/27/11/58/907271158.db2.gz WJOQVSUXUABYRK-LLVKDONJSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001420690607 907271176 /nfs/dbraw/zinc/27/11/76/907271176.db2.gz WJOQVSUXUABYRK-LLVKDONJSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O ZINC001420738038 907287409 /nfs/dbraw/zinc/28/74/09/907287409.db2.gz CTFMNTGCJOIVLV-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@@H](NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001420774513 907300085 /nfs/dbraw/zinc/30/00/85/907300085.db2.gz FTFRQCYVPXYIBR-TZMCWYRMSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001420958291 907368853 /nfs/dbraw/zinc/36/88/53/907368853.db2.gz RLMMPISAAZHHAE-JTQLQIEISA-N 2 1 296.371 -0.031 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001420995143 907385547 /nfs/dbraw/zinc/38/55/47/907385547.db2.gz ODNCYMNRQSPAFF-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421125686 907439170 /nfs/dbraw/zinc/43/91/70/907439170.db2.gz LJZFTDHPRSWRNN-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421125687 907440429 /nfs/dbraw/zinc/44/04/29/907440429.db2.gz LJZFTDHPRSWRNN-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001421379370 907515047 /nfs/dbraw/zinc/51/50/47/907515047.db2.gz ILSWBVWGLYYEOG-YPMHNXCESA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001421379370 907515064 /nfs/dbraw/zinc/51/50/64/907515064.db2.gz ILSWBVWGLYYEOG-YPMHNXCESA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001421383770 907516944 /nfs/dbraw/zinc/51/69/44/907516944.db2.gz CSIYGLRZSDPOKZ-GXTWGEPZSA-N 2 1 287.404 -0.740 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+](C[C@H](C)O)C1 ZINC001421383770 907516948 /nfs/dbraw/zinc/51/69/48/907516948.db2.gz CSIYGLRZSDPOKZ-GXTWGEPZSA-N 2 1 287.404 -0.740 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](C[C@H](C)O)C1 ZINC001421383770 907516960 /nfs/dbraw/zinc/51/69/60/907516960.db2.gz CSIYGLRZSDPOKZ-GXTWGEPZSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnn(C)n1 ZINC001421446134 907550374 /nfs/dbraw/zinc/55/03/74/907550374.db2.gz XMMATSATDHQFOZ-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(C)C ZINC001421488714 907569939 /nfs/dbraw/zinc/56/99/39/907569939.db2.gz INLUGEGNBPTXBD-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001421517530 907571276 /nfs/dbraw/zinc/57/12/76/907571276.db2.gz AMTZHGFMZINESS-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001421517526 907573206 /nfs/dbraw/zinc/57/32/06/907573206.db2.gz AMTZHGFMZINESS-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC(N)=O)C2 ZINC001421515345 907573560 /nfs/dbraw/zinc/57/35/60/907573560.db2.gz KPTKQZUXMURQBK-XQQFMLRXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(N)=O)C2 ZINC001421515345 907573566 /nfs/dbraw/zinc/57/35/66/907573566.db2.gz KPTKQZUXMURQBK-XQQFMLRXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001421515345 907573576 /nfs/dbraw/zinc/57/35/76/907573576.db2.gz KPTKQZUXMURQBK-XQQFMLRXSA-N 2 1 296.415 -0.217 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001421551621 907579484 /nfs/dbraw/zinc/57/94/84/907579484.db2.gz VCXZTVQDSHOIJX-CMPLNLGQSA-N 2 1 293.371 -0.497 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)CC(=O)OC ZINC001421592448 907583221 /nfs/dbraw/zinc/58/32/21/907583221.db2.gz WEWMVRFHRDAAKW-LLVKDONJSA-N 2 1 276.377 -0.143 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)CC(=O)OC ZINC001421592448 907583226 /nfs/dbraw/zinc/58/32/26/907583226.db2.gz WEWMVRFHRDAAKW-LLVKDONJSA-N 2 1 276.377 -0.143 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cnnn1C ZINC001421673290 907606257 /nfs/dbraw/zinc/60/62/57/907606257.db2.gz GQDOWGFIZDMAGL-AAEUAGOBSA-N 2 1 294.403 -0.249 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001421751042 907632344 /nfs/dbraw/zinc/63/23/44/907632344.db2.gz SYLZUPSOQGLYTL-GFCCVEGCSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cnnn1C ZINC001421764192 907636141 /nfs/dbraw/zinc/63/61/41/907636141.db2.gz CZXURGVPPRIHEQ-NWDGAFQWSA-N 2 1 294.403 -0.391 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001421829522 907658084 /nfs/dbraw/zinc/65/80/84/907658084.db2.gz MMUCQWDKFKGEBA-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001421948278 907685168 /nfs/dbraw/zinc/68/51/68/907685168.db2.gz OSAINKZCQHDIEQ-LLVKDONJSA-N 2 1 295.387 -0.106 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001421979951 907694401 /nfs/dbraw/zinc/69/44/01/907694401.db2.gz HUSDLSNKUJAHRM-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP C[N@@H+](CC(=O)N1CCC[C@@](CO)([NH2+]CCO)C1)C1CCC1 ZINC001421974452 907696123 /nfs/dbraw/zinc/69/61/23/907696123.db2.gz STUASSAPPXMSRW-OAHLLOKOSA-N 2 1 299.415 -0.594 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001421993657 907697752 /nfs/dbraw/zinc/69/77/52/907697752.db2.gz MTFLMTYHISDPKP-LLVKDONJSA-N 2 1 295.387 -0.284 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421989647 907698149 /nfs/dbraw/zinc/69/81/49/907698149.db2.gz MESHZSYHLMAUSJ-MNOVXSKESA-N 2 1 270.377 -0.879 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421992754 907698262 /nfs/dbraw/zinc/69/82/62/907698262.db2.gz PRUFCXUCQJOOBD-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001421985210 907699677 /nfs/dbraw/zinc/69/96/77/907699677.db2.gz DYIRPZGKMVJWIA-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001422029817 907701176 /nfs/dbraw/zinc/70/11/76/907701176.db2.gz MJVHITCFRUOAQF-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422019752 907701382 /nfs/dbraw/zinc/70/13/82/907701382.db2.gz QRYXWTDIEPSFBU-NEPJUHHUSA-N 2 1 284.404 -0.456 20 0 CBADMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@H](C)C(N)=O ZINC001422135776 907725669 /nfs/dbraw/zinc/72/56/69/907725669.db2.gz NLVPYXFXVFFPFJ-VXGBXAGGSA-N 2 1 286.420 -0.069 20 0 CBADMP COC[C@H](O)C[N@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001422176248 907738896 /nfs/dbraw/zinc/73/88/96/907738896.db2.gz VUXMJZDGNSFZPP-CYBMUJFWSA-N 2 1 298.387 -0.411 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001422176248 907738911 /nfs/dbraw/zinc/73/89/11/907738911.db2.gz VUXMJZDGNSFZPP-CYBMUJFWSA-N 2 1 298.387 -0.411 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)CCC[NH+](C)C ZINC001422192787 907744827 /nfs/dbraw/zinc/74/48/27/907744827.db2.gz KHTDTVHTCYEQTA-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)CCC[NH+](C)C ZINC001422192787 907744835 /nfs/dbraw/zinc/74/48/35/907744835.db2.gz KHTDTVHTCYEQTA-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP Cc1oncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001422261445 907762004 /nfs/dbraw/zinc/76/20/04/907762004.db2.gz BMTIEOWIFIAXGJ-OLZOCXBDSA-N 2 1 296.371 -0.356 20 0 CBADMP CO[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001422334284 907808865 /nfs/dbraw/zinc/80/88/65/907808865.db2.gz RECOTODLAVMXIZ-RYUDHWBXSA-N 2 1 284.360 -0.707 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1nccn1C ZINC001422422537 907852288 /nfs/dbraw/zinc/85/22/88/907852288.db2.gz QGIREYLJFMCMDC-LBPRGKRZSA-N 2 1 297.403 -0.673 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1nccn1C ZINC001422422534 907853902 /nfs/dbraw/zinc/85/39/02/907853902.db2.gz QGIREYLJFMCMDC-GFCCVEGCSA-N 2 1 297.403 -0.673 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)Cn1c[nH+]cc1C ZINC001422436915 907859739 /nfs/dbraw/zinc/85/97/39/907859739.db2.gz BECCUEDFCIRWHS-NSHDSACASA-N 2 1 281.360 -0.497 20 0 CBADMP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001422473358 907878572 /nfs/dbraw/zinc/87/85/72/907878572.db2.gz YLESDNXQLHITKI-PWSUYJOCSA-N 2 1 282.388 -0.547 20 0 CBADMP CCC1([NH2+]CC(N)=O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001502483175 921360686 /nfs/dbraw/zinc/36/06/86/921360686.db2.gz QIOFHGOQGWMWPT-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)[N@@H+](C)CCO ZINC001422503846 907899377 /nfs/dbraw/zinc/89/93/77/907899377.db2.gz BFRMUVJKJXNJCB-LBPRGKRZSA-N 2 1 297.403 -0.513 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001422553256 907917558 /nfs/dbraw/zinc/91/75/58/907917558.db2.gz PROZPNCZAUFYQC-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001422553256 907917570 /nfs/dbraw/zinc/91/75/70/907917570.db2.gz PROZPNCZAUFYQC-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CCN1CC[C@H]([N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001422574778 907932959 /nfs/dbraw/zinc/93/29/59/907932959.db2.gz ZKPDWCLRPUAJDA-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CCn1cncn1 ZINC001422593299 907935565 /nfs/dbraw/zinc/93/55/65/907935565.db2.gz CACKDVIFPJJHJD-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422591562 907938326 /nfs/dbraw/zinc/93/83/26/907938326.db2.gz SBRIRLTTZIMWMP-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422591562 907938337 /nfs/dbraw/zinc/93/83/37/907938337.db2.gz SBRIRLTTZIMWMP-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](C)[N@@H+](C)CCO ZINC001422603941 907941858 /nfs/dbraw/zinc/94/18/58/907941858.db2.gz QRAHBHXOSZVZNP-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C1([NH+](C)C)CCC1 ZINC001422658469 907967402 /nfs/dbraw/zinc/96/74/02/907967402.db2.gz DAYHCGVDCUAYKD-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001422698187 907976470 /nfs/dbraw/zinc/97/64/70/907976470.db2.gz GJLQCXFVSVPFHV-CMPLNLGQSA-N 2 1 280.376 -0.496 20 0 CBADMP CNC(=O)CN1CC([C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001422758480 907996174 /nfs/dbraw/zinc/99/61/74/907996174.db2.gz XUHCMBDRIWPGJX-VXGBXAGGSA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001422813767 908020876 /nfs/dbraw/zinc/02/08/76/908020876.db2.gz VLPMLXLBSXUWBE-PWSUYJOCSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001422813767 908020892 /nfs/dbraw/zinc/02/08/92/908020892.db2.gz VLPMLXLBSXUWBE-PWSUYJOCSA-N 2 1 282.388 -0.750 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001422819330 908023490 /nfs/dbraw/zinc/02/34/90/908023490.db2.gz DBQHMZIBUGDNLG-JQWIXIFHSA-N 2 1 272.393 -0.506 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001422819330 908023509 /nfs/dbraw/zinc/02/35/09/908023509.db2.gz DBQHMZIBUGDNLG-JQWIXIFHSA-N 2 1 272.393 -0.506 20 0 CBADMP COC[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001422838910 908026028 /nfs/dbraw/zinc/02/60/28/908026028.db2.gz APTDCBOVISLTSJ-WCQYABFASA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001422838910 908026040 /nfs/dbraw/zinc/02/60/40/908026040.db2.gz APTDCBOVISLTSJ-WCQYABFASA-N 2 1 298.387 -0.365 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CC(N)=O)C2 ZINC001422871821 908041379 /nfs/dbraw/zinc/04/13/79/908041379.db2.gz HAAFNCBAGVFHLH-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CC(N)=O)C2 ZINC001422871821 908041394 /nfs/dbraw/zinc/04/13/94/908041394.db2.gz HAAFNCBAGVFHLH-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2 ZINC001422871821 908041406 /nfs/dbraw/zinc/04/14/06/908041406.db2.gz HAAFNCBAGVFHLH-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC001422871821 908041421 /nfs/dbraw/zinc/04/14/21/908041421.db2.gz HAAFNCBAGVFHLH-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001422884602 908045965 /nfs/dbraw/zinc/04/59/65/908045965.db2.gz KUVAQUAJMAQDSB-NSHDSACASA-N 2 1 272.393 -0.537 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001422884602 908045970 /nfs/dbraw/zinc/04/59/70/908045970.db2.gz KUVAQUAJMAQDSB-NSHDSACASA-N 2 1 272.393 -0.537 20 0 CBADMP CO[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001422888094 908046903 /nfs/dbraw/zinc/04/69/03/908046903.db2.gz GAXFWTHVZXCILO-XDQVBPFNSA-N 2 1 299.415 -0.164 20 0 CBADMP CO[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001422888094 908046917 /nfs/dbraw/zinc/04/69/17/908046917.db2.gz GAXFWTHVZXCILO-XDQVBPFNSA-N 2 1 299.415 -0.164 20 0 CBADMP CO[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001422888088 908049155 /nfs/dbraw/zinc/04/91/55/908049155.db2.gz GAXFWTHVZXCILO-SYQHCUMBSA-N 2 1 299.415 -0.164 20 0 CBADMP CO[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001422888088 908049165 /nfs/dbraw/zinc/04/91/65/908049165.db2.gz GAXFWTHVZXCILO-SYQHCUMBSA-N 2 1 299.415 -0.164 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001422906182 908052491 /nfs/dbraw/zinc/05/24/91/908052491.db2.gz MNDULGAGVQMDSU-AVGNSLFASA-N 2 1 296.415 -0.489 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001422995181 908075452 /nfs/dbraw/zinc/07/54/52/908075452.db2.gz BFMWVPJWFFWINU-LBPRGKRZSA-N 2 1 282.388 -0.560 20 0 CBADMP C[N@@H+](CC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001422995175 908075643 /nfs/dbraw/zinc/07/56/43/908075643.db2.gz BFMWVPJWFFWINU-GFCCVEGCSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001423039962 908085173 /nfs/dbraw/zinc/08/51/73/908085173.db2.gz GXJWDXCSKRTQHL-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001423169422 908124004 /nfs/dbraw/zinc/12/40/04/908124004.db2.gz QJYFZCRECISLGJ-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001423169422 908124015 /nfs/dbraw/zinc/12/40/15/908124015.db2.gz QJYFZCRECISLGJ-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001423169020 908125339 /nfs/dbraw/zinc/12/53/39/908125339.db2.gz HBSOAZYSPSPOTF-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP Cc1oncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001423188407 908141586 /nfs/dbraw/zinc/14/15/86/908141586.db2.gz HHOMIUBDAFCECQ-QWHCGFSZSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1oncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001423188407 908141589 /nfs/dbraw/zinc/14/15/89/908141589.db2.gz HHOMIUBDAFCECQ-QWHCGFSZSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001423259926 908178899 /nfs/dbraw/zinc/17/88/99/908178899.db2.gz QDCRZOMJYLTGPW-GFCCVEGCSA-N 2 1 295.387 -0.697 20 0 CBADMP C[NH+](C)[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCO)c1ccccc1 ZINC001423299806 908196205 /nfs/dbraw/zinc/19/62/05/908196205.db2.gz JSYDAGUXNHDNPR-UONOGXRCSA-N 2 1 295.383 -0.652 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001423307704 908198380 /nfs/dbraw/zinc/19/83/80/908198380.db2.gz QTZGONKBPYIOIH-KBPBESRZSA-N 2 1 299.415 -0.569 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001423409684 908221439 /nfs/dbraw/zinc/22/14/39/908221439.db2.gz YEXLZAJLJDWDTK-LLVKDONJSA-N 2 1 284.404 -0.362 20 0 CBADMP COC[C@H](O)C[NH+]1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001423418355 908226776 /nfs/dbraw/zinc/22/67/76/908226776.db2.gz LYXFMGMVTGJJGD-GFCCVEGCSA-N 2 1 273.377 -0.912 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CCCC1 ZINC001423515688 908264847 /nfs/dbraw/zinc/26/48/47/908264847.db2.gz OJECZWHCTXGJDN-QWHCGFSZSA-N 2 1 296.415 -0.170 20 0 CBADMP C[NH+](C)CCC(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001423513226 908267664 /nfs/dbraw/zinc/26/76/64/908267664.db2.gz UZHZHWHSTOHOPV-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP COCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H](C)O ZINC001423641225 908300064 /nfs/dbraw/zinc/30/00/64/908300064.db2.gz LAWQJEKCFMELJD-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP COCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@H](C)O ZINC001423641225 908300075 /nfs/dbraw/zinc/30/00/75/908300075.db2.gz LAWQJEKCFMELJD-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP COCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@H](C)O ZINC001423641225 908300092 /nfs/dbraw/zinc/30/00/92/908300092.db2.gz LAWQJEKCFMELJD-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001423682518 908305080 /nfs/dbraw/zinc/30/50/80/908305080.db2.gz NKOGFILNDKDUGJ-UHFFFAOYSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001423763341 908324248 /nfs/dbraw/zinc/32/42/48/908324248.db2.gz MOOOBFRVFASWJE-ZFWWWQNUSA-N 2 1 281.400 -0.099 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001423943605 908371340 /nfs/dbraw/zinc/37/13/40/908371340.db2.gz CWZGXHYVXUOGGB-OLZOCXBDSA-N 2 1 298.431 -0.242 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CCC[NH+](C)[C@H]1CCNC1=O ZINC001424330035 908443323 /nfs/dbraw/zinc/44/33/23/908443323.db2.gz HHOQOXCXBGGSMY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CCC[N@H+](C)[C@H]1CCNC1=O ZINC001424330035 908443329 /nfs/dbraw/zinc/44/33/29/908443329.db2.gz HHOQOXCXBGGSMY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CCC[N@@H+](C)[C@H]1CCNC1=O ZINC001424330035 908443338 /nfs/dbraw/zinc/44/33/38/908443338.db2.gz HHOQOXCXBGGSMY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](O)C[NH+]1CC2(C1)CC[C@H](CNC(=O)CC[NH+](C)C)O2 ZINC001424365499 908450757 /nfs/dbraw/zinc/45/07/57/908450757.db2.gz MYLGPKLOPRRUKF-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001424492011 908463115 /nfs/dbraw/zinc/46/31/15/908463115.db2.gz UMHIVWDNADBXQP-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCN(CC(N)=O)[C@H](C)C1 ZINC001424554570 908470212 /nfs/dbraw/zinc/47/02/12/908470212.db2.gz WHAUJRRRAKJACX-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@H](C)C1 ZINC001424554570 908470218 /nfs/dbraw/zinc/47/02/18/908470218.db2.gz WHAUJRRRAKJACX-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@H](C)C1 ZINC001424554570 908470224 /nfs/dbraw/zinc/47/02/24/908470224.db2.gz WHAUJRRRAKJACX-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC001424554570 908470226 /nfs/dbraw/zinc/47/02/26/908470226.db2.gz WHAUJRRRAKJACX-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CCN1CCCC1=O ZINC001425003873 908548297 /nfs/dbraw/zinc/54/82/97/908548297.db2.gz CAUKNWSRVJFFEP-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@H]1CCNC1=O ZINC001425009428 908553414 /nfs/dbraw/zinc/55/34/14/908553414.db2.gz JZXCSWIPCZCALF-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC(=O)N(C)C ZINC001425009622 908555329 /nfs/dbraw/zinc/55/53/29/908555329.db2.gz KUSVLBDYVYTGOM-NSHDSACASA-N 2 1 272.393 -0.537 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC(=O)N(C)C ZINC001425009622 908555337 /nfs/dbraw/zinc/55/53/37/908555337.db2.gz KUSVLBDYVYTGOM-NSHDSACASA-N 2 1 272.393 -0.537 20 0 CBADMP COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001425056155 908563355 /nfs/dbraw/zinc/56/33/55/908563355.db2.gz LJVYHACRPJJPLZ-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@@]2(C1)C[NH+](CCO)CCO2 ZINC001425275692 908604007 /nfs/dbraw/zinc/60/40/07/908604007.db2.gz BCJJWYVWEVMHKN-HNNXBMFYSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@]2(C1)C[NH+](CCO)CCO2 ZINC001425275692 908604018 /nfs/dbraw/zinc/60/40/18/908604018.db2.gz BCJJWYVWEVMHKN-HNNXBMFYSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC001425275692 908604026 /nfs/dbraw/zinc/60/40/26/908604026.db2.gz BCJJWYVWEVMHKN-HNNXBMFYSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC001425275692 908604034 /nfs/dbraw/zinc/60/40/34/908604034.db2.gz BCJJWYVWEVMHKN-HNNXBMFYSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001505455500 921425709 /nfs/dbraw/zinc/42/57/09/921425709.db2.gz BRPHGBXCSLWKOF-GFCCVEGCSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001505455500 921425713 /nfs/dbraw/zinc/42/57/13/921425713.db2.gz BRPHGBXCSLWKOF-GFCCVEGCSA-N 2 1 294.399 -0.510 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCO)C1 ZINC001505466071 921430118 /nfs/dbraw/zinc/43/01/18/921430118.db2.gz RQXBGJMSZVAKCR-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCO)C1 ZINC001505466071 921430127 /nfs/dbraw/zinc/43/01/27/921430127.db2.gz RQXBGJMSZVAKCR-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CCO)C1 ZINC001505466071 921430135 /nfs/dbraw/zinc/43/01/35/921430135.db2.gz RQXBGJMSZVAKCR-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CCO)C1 ZINC001505466071 921430147 /nfs/dbraw/zinc/43/01/47/921430147.db2.gz RQXBGJMSZVAKCR-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001425629427 908683526 /nfs/dbraw/zinc/68/35/26/908683526.db2.gz VXRMXFMQIAMBPT-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001425665168 908687700 /nfs/dbraw/zinc/68/77/00/908687700.db2.gz TUNZLJHCKSHAAT-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001425678049 908689295 /nfs/dbraw/zinc/68/92/95/908689295.db2.gz CWJCBGMSHVHZTI-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001425809353 908748814 /nfs/dbraw/zinc/74/88/14/908748814.db2.gz PLGMWXTZBPVPHO-NSHDSACASA-N 2 1 284.360 -0.499 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001425917566 908782401 /nfs/dbraw/zinc/78/24/01/908782401.db2.gz ONPLISFYZCBUSY-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001425917564 908783502 /nfs/dbraw/zinc/78/35/02/908783502.db2.gz ONPLISFYZCBUSY-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC1CC[NH+](C)CC1 ZINC001426474200 908872708 /nfs/dbraw/zinc/87/27/08/908872708.db2.gz MDENRMDOUHKLNK-GFCCVEGCSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC1CC[NH+](C)CC1 ZINC001426474200 908872726 /nfs/dbraw/zinc/87/27/26/908872726.db2.gz MDENRMDOUHKLNK-GFCCVEGCSA-N 2 1 284.404 -0.211 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NC ZINC001505725289 921472441 /nfs/dbraw/zinc/47/24/41/921472441.db2.gz RNTOWMALQHFJHH-QWRGUYRKSA-N 2 1 272.393 -0.443 20 0 CBADMP CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CC[NH+](C)C ZINC001429580637 909262464 /nfs/dbraw/zinc/26/24/64/909262464.db2.gz PQTCDOAEXIVQCL-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](CC)CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001430198720 909309925 /nfs/dbraw/zinc/30/99/25/909309925.db2.gz UHRVXXGIALBLTP-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001430206820 909310643 /nfs/dbraw/zinc/31/06/43/909310643.db2.gz DYCTXHDTWUUKTH-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001430774679 909388264 /nfs/dbraw/zinc/38/82/64/909388264.db2.gz DCWXBNMRFVDRNG-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001430774679 909388282 /nfs/dbraw/zinc/38/82/82/909388282.db2.gz DCWXBNMRFVDRNG-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001430774679 909388297 /nfs/dbraw/zinc/38/82/97/909388297.db2.gz DCWXBNMRFVDRNG-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CCC[NH+](C)C ZINC001431418800 909456632 /nfs/dbraw/zinc/45/66/32/909456632.db2.gz WWTIIMFQAPWLTG-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@@H+](C)CCO ZINC001505920457 921501462 /nfs/dbraw/zinc/50/14/62/921501462.db2.gz NAKHRJYNJICUCS-WCQYABFASA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@@H+](C)CCO ZINC001505920458 921502488 /nfs/dbraw/zinc/50/24/88/921502488.db2.gz NAKHRJYNJICUCS-YPMHNXCESA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001431867362 909547158 /nfs/dbraw/zinc/54/71/58/909547158.db2.gz JSRUGJFFWZAVFT-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)[C@@H](C)C(N)=O ZINC001505935321 921504978 /nfs/dbraw/zinc/50/49/78/921504978.db2.gz FNPSAPVMDBGWDN-MNOVXSKESA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001505935321 921504989 /nfs/dbraw/zinc/50/49/89/921504989.db2.gz FNPSAPVMDBGWDN-MNOVXSKESA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001505935323 921506206 /nfs/dbraw/zinc/50/62/06/921506206.db2.gz FNPSAPVMDBGWDN-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001505935323 921506214 /nfs/dbraw/zinc/50/62/14/921506214.db2.gz FNPSAPVMDBGWDN-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001505936247 921506766 /nfs/dbraw/zinc/50/67/66/921506766.db2.gz XRMSBMFVGPAVHY-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001432304755 909603613 /nfs/dbraw/zinc/60/36/13/909603613.db2.gz UUBOFBWRASRMBE-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001505991396 921520314 /nfs/dbraw/zinc/52/03/14/921520314.db2.gz RRFBOZJAFMYPIP-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)C[NH+]1CCCC1 ZINC001433544320 909763969 /nfs/dbraw/zinc/76/39/69/909763969.db2.gz ZOUMOEJNQDZANH-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CO[C@H](C)CN1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001506141534 921553175 /nfs/dbraw/zinc/55/31/75/921553175.db2.gz YFKYFHAJQJKYDN-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP Cn1cc([C@@H](CO)[NH2+]CC(=O)NC2CC[NH+](C)CC2)cn1 ZINC001434466107 910205583 /nfs/dbraw/zinc/20/55/83/910205583.db2.gz QORWPDFAYMHDSU-CYBMUJFWSA-N 2 1 295.387 -0.747 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001434481952 910221152 /nfs/dbraw/zinc/22/11/52/910221152.db2.gz OXZWGEPPHRLQJS-NEPJUHHUSA-N 2 1 275.418 -0.191 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001434481952 910221170 /nfs/dbraw/zinc/22/11/70/910221170.db2.gz OXZWGEPPHRLQJS-NEPJUHHUSA-N 2 1 275.418 -0.191 20 0 CBADMP CCS(=O)(=O)NCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001434481952 910221188 /nfs/dbraw/zinc/22/11/88/910221188.db2.gz OXZWGEPPHRLQJS-NEPJUHHUSA-N 2 1 275.418 -0.191 20 0 CBADMP CCS(=O)(=O)NCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001434481952 910221208 /nfs/dbraw/zinc/22/12/08/910221208.db2.gz OXZWGEPPHRLQJS-NEPJUHHUSA-N 2 1 275.418 -0.191 20 0 CBADMP CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)CC[NH+]1CCOCC1 ZINC001436323328 910423103 /nfs/dbraw/zinc/42/31/03/910423103.db2.gz PJEICBCRKPPXBK-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)CC[NH+]1CCOCC1 ZINC001436323328 910423114 /nfs/dbraw/zinc/42/31/14/910423114.db2.gz PJEICBCRKPPXBK-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001436398064 910438603 /nfs/dbraw/zinc/43/86/03/910438603.db2.gz UDFIRFWAKBPLML-JHJVBQTASA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436691306 910466428 /nfs/dbraw/zinc/46/64/28/910466428.db2.gz ZIQQVEOZVYFWBY-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436691306 910466438 /nfs/dbraw/zinc/46/64/38/910466438.db2.gz ZIQQVEOZVYFWBY-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436729796 910478678 /nfs/dbraw/zinc/47/86/78/910478678.db2.gz FOTVIVMGSGYSEM-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436729796 910478684 /nfs/dbraw/zinc/47/86/84/910478684.db2.gz FOTVIVMGSGYSEM-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001436825282 910492845 /nfs/dbraw/zinc/49/28/45/910492845.db2.gz HHANCZUJKPUTQZ-YPMHNXCESA-N 2 1 296.415 -0.441 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001436922694 910508646 /nfs/dbraw/zinc/50/86/46/910508646.db2.gz CQUWPGVKDIZOHG-IJLUTSLNSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001436917470 910509318 /nfs/dbraw/zinc/50/93/18/910509318.db2.gz YCYJHERVRZUHNP-JHJVBQTASA-N 2 1 285.388 -0.674 20 0 CBADMP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001436932853 910510459 /nfs/dbraw/zinc/51/04/59/910510459.db2.gz SAUKKXYFWWOINV-YOGCLGLASA-N 2 1 282.388 -0.465 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001436952643 910517268 /nfs/dbraw/zinc/51/72/68/910517268.db2.gz KOFOHGXGDFAHKP-TXEJJXNPSA-N 2 1 293.371 -0.436 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001436994226 910528563 /nfs/dbraw/zinc/52/85/63/910528563.db2.gz IDWYTHXZDLCCCI-GXTWGEPZSA-N 2 1 298.431 -0.114 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001436994226 910528579 /nfs/dbraw/zinc/52/85/79/910528579.db2.gz IDWYTHXZDLCCCI-GXTWGEPZSA-N 2 1 298.431 -0.114 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001437198390 910582235 /nfs/dbraw/zinc/58/22/35/910582235.db2.gz BNOXRYFTDUEKFX-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCS(C)(=O)=O ZINC001437260463 910603579 /nfs/dbraw/zinc/60/35/79/910603579.db2.gz LOSCPEWQQKRLRB-MNOVXSKESA-N 2 1 291.417 -0.923 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001437299065 910611009 /nfs/dbraw/zinc/61/10/09/910611009.db2.gz DXFAXDPWNZTEON-CHWSQXEVSA-N 2 1 296.415 -0.217 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001437326137 910612764 /nfs/dbraw/zinc/61/27/64/910612764.db2.gz NEOCPTGTNFVDFS-CHWSQXEVSA-N 2 1 296.415 -0.536 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001437312966 910613437 /nfs/dbraw/zinc/61/34/37/910613437.db2.gz JHUBISXLNYTFAE-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001437554697 910681865 /nfs/dbraw/zinc/68/18/65/910681865.db2.gz IZRLKSGYEIUCNC-WDEREUQCSA-N 2 1 272.393 -0.506 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001437554697 910681872 /nfs/dbraw/zinc/68/18/72/910681872.db2.gz IZRLKSGYEIUCNC-WDEREUQCSA-N 2 1 272.393 -0.506 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001437554695 910683556 /nfs/dbraw/zinc/68/35/56/910683556.db2.gz IZRLKSGYEIUCNC-MNOVXSKESA-N 2 1 272.393 -0.506 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001437554695 910683564 /nfs/dbraw/zinc/68/35/64/910683564.db2.gz IZRLKSGYEIUCNC-MNOVXSKESA-N 2 1 272.393 -0.506 20 0 CBADMP C[N@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@H]1CCNC1=O ZINC001437567449 910688050 /nfs/dbraw/zinc/68/80/50/910688050.db2.gz WTFINFKLYVFZAC-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@H]1CCNC1=O ZINC001437567449 910688064 /nfs/dbraw/zinc/68/80/64/910688064.db2.gz WTFINFKLYVFZAC-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@H](C)C(N)=O ZINC001437637688 910709829 /nfs/dbraw/zinc/70/98/29/910709829.db2.gz IIYDKCMCZUQZQY-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@H](C)C(N)=O ZINC001437637688 910709841 /nfs/dbraw/zinc/70/98/41/910709841.db2.gz IIYDKCMCZUQZQY-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C)C(N)=O ZINC001437637688 910709856 /nfs/dbraw/zinc/70/98/56/910709856.db2.gz IIYDKCMCZUQZQY-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H](C)C(N)=O ZINC001437637688 910709873 /nfs/dbraw/zinc/70/98/73/910709873.db2.gz IIYDKCMCZUQZQY-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CCC[N@H+]1CCCO ZINC001437677764 910723096 /nfs/dbraw/zinc/72/30/96/910723096.db2.gz GYCXYUQDYWJDIR-CQSZACIVSA-N 2 1 299.415 -0.328 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CCC[N@@H+]1CCCO ZINC001437677764 910723107 /nfs/dbraw/zinc/72/31/07/910723107.db2.gz GYCXYUQDYWJDIR-CQSZACIVSA-N 2 1 299.415 -0.328 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001437728799 910732478 /nfs/dbraw/zinc/73/24/78/910732478.db2.gz YYCNCKDOYWNLKC-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001437728799 910732492 /nfs/dbraw/zinc/73/24/92/910732492.db2.gz YYCNCKDOYWNLKC-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001437728799 910732500 /nfs/dbraw/zinc/73/25/00/910732500.db2.gz YYCNCKDOYWNLKC-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP C[NH+]1CCC(OCC(=O)NC[C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001437725149 910734314 /nfs/dbraw/zinc/73/43/14/910734314.db2.gz OLLLAKCCRNCVFK-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H](O)C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001437778731 910740854 /nfs/dbraw/zinc/74/08/54/910740854.db2.gz BEUHNNFWMZTXOR-DGCLKSJQSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H](O)C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001437778731 910740865 /nfs/dbraw/zinc/74/08/65/910740865.db2.gz BEUHNNFWMZTXOR-DGCLKSJQSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H](O)C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001437778731 910740874 /nfs/dbraw/zinc/74/08/74/910740874.db2.gz BEUHNNFWMZTXOR-DGCLKSJQSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H](O)C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001437778731 910740887 /nfs/dbraw/zinc/74/08/87/910740887.db2.gz BEUHNNFWMZTXOR-DGCLKSJQSA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NCC ZINC001437768027 910744229 /nfs/dbraw/zinc/74/42/29/910744229.db2.gz MTARUCVANSXRQM-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NCC ZINC001437768027 910744243 /nfs/dbraw/zinc/74/42/43/910744243.db2.gz MTARUCVANSXRQM-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NCC ZINC001437768027 910744258 /nfs/dbraw/zinc/74/42/58/910744258.db2.gz MTARUCVANSXRQM-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NCC ZINC001437768027 910744267 /nfs/dbraw/zinc/74/42/67/910744267.db2.gz MTARUCVANSXRQM-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+](CC(N)=O)C2CC2)C1 ZINC001437817568 910753943 /nfs/dbraw/zinc/75/39/43/910753943.db2.gz QZPXPOVYDIUOII-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH+](CC(N)=O)C2CC2)C1 ZINC001437817568 910753953 /nfs/dbraw/zinc/75/39/53/910753953.db2.gz QZPXPOVYDIUOII-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCC[N@H+](CC(N)=O)C2CC2)C1 ZINC001437817568 910753966 /nfs/dbraw/zinc/75/39/66/910753966.db2.gz QZPXPOVYDIUOII-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCC[N@@H+](CC(N)=O)C2CC2)C1 ZINC001437817568 910753979 /nfs/dbraw/zinc/75/39/79/910753979.db2.gz QZPXPOVYDIUOII-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+](C)CCCC(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001438133440 910826697 /nfs/dbraw/zinc/82/66/97/910826697.db2.gz JXZOMNBFWJGKSY-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](CCn2cncn2)C1 ZINC001438156301 910833178 /nfs/dbraw/zinc/83/31/78/910833178.db2.gz GTANIWXDAAPYQL-UHFFFAOYSA-N 2 1 294.403 -0.334 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001438193877 910842750 /nfs/dbraw/zinc/84/27/50/910842750.db2.gz HQAGYZWVGMTOGM-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001438193877 910842767 /nfs/dbraw/zinc/84/27/67/910842767.db2.gz HQAGYZWVGMTOGM-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001438193877 910842776 /nfs/dbraw/zinc/84/27/76/910842776.db2.gz HQAGYZWVGMTOGM-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001438193877 910842786 /nfs/dbraw/zinc/84/27/86/910842786.db2.gz HQAGYZWVGMTOGM-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001438381259 910887046 /nfs/dbraw/zinc/88/70/46/910887046.db2.gz WPHQUYFRSNXGCL-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nncn1C ZINC001438374670 910887508 /nfs/dbraw/zinc/88/75/08/910887508.db2.gz QQIMDVUYTIRLCN-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]CC(N)=O ZINC001438503341 910909347 /nfs/dbraw/zinc/90/93/47/910909347.db2.gz KPYVFIMFXLKQEN-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001438527501 910912323 /nfs/dbraw/zinc/91/23/23/910912323.db2.gz GHMLPCYEZHELQI-NEPJUHHUSA-N 2 1 284.404 -0.584 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001438527509 910914217 /nfs/dbraw/zinc/91/42/17/910914217.db2.gz GHMLPCYEZHELQI-VXGBXAGGSA-N 2 1 284.404 -0.584 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001438545774 910918253 /nfs/dbraw/zinc/91/82/53/910918253.db2.gz QWGRXTZDOJMJDG-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1 ZINC001438608069 910927203 /nfs/dbraw/zinc/92/72/03/910927203.db2.gz RKANYRRDDUXXQK-GFCCVEGCSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCC1)C(N)=O ZINC001438588101 910929800 /nfs/dbraw/zinc/92/98/00/910929800.db2.gz JEPDSQOIEIQEOD-RYUDHWBXSA-N 2 1 296.415 -0.027 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC ZINC001438703808 910957413 /nfs/dbraw/zinc/95/74/13/910957413.db2.gz ANMHDZAFVXSLCC-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC ZINC001438703807 910959588 /nfs/dbraw/zinc/95/95/88/910959588.db2.gz ANMHDZAFVXSLCC-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CN(CC[N@@H+](C)CCn1cncn1)C(=O)CC[NH+](C)C ZINC001438902942 910988034 /nfs/dbraw/zinc/98/80/34/910988034.db2.gz CGQLZZBRHXWEBM-UHFFFAOYSA-N 2 1 282.392 -0.380 20 0 CBADMP CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001438930859 910997354 /nfs/dbraw/zinc/99/73/54/910997354.db2.gz CFPPIJZQINMZJY-ZDUSSCGKSA-N 2 1 298.431 -0.193 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001438930859 910997372 /nfs/dbraw/zinc/99/73/72/910997372.db2.gz CFPPIJZQINMZJY-ZDUSSCGKSA-N 2 1 298.431 -0.193 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001438930859 910997388 /nfs/dbraw/zinc/99/73/88/910997388.db2.gz CFPPIJZQINMZJY-ZDUSSCGKSA-N 2 1 298.431 -0.193 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001438930859 910997399 /nfs/dbraw/zinc/99/73/99/910997399.db2.gz CFPPIJZQINMZJY-ZDUSSCGKSA-N 2 1 298.431 -0.193 20 0 CBADMP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1)[NH+](C)C ZINC001438996596 911049082 /nfs/dbraw/zinc/04/90/82/911049082.db2.gz GCNXOHRPNSGZKO-VXGBXAGGSA-N 2 1 295.387 -0.617 20 0 CBADMP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001439049784 911074040 /nfs/dbraw/zinc/07/40/40/911074040.db2.gz CNYVXHJXKPRHSB-GFCCVEGCSA-N 2 1 298.387 -0.110 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nncs2)C1 ZINC001439048031 911074328 /nfs/dbraw/zinc/07/43/28/911074328.db2.gz TWEMELHJNUZBMF-UWVGGRQHSA-N 2 1 299.400 -0.944 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nncs2)C1 ZINC001439048031 911074348 /nfs/dbraw/zinc/07/43/48/911074348.db2.gz TWEMELHJNUZBMF-UWVGGRQHSA-N 2 1 299.400 -0.944 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001439056779 911077381 /nfs/dbraw/zinc/07/73/81/911077381.db2.gz NYVKRRRAUPWJET-CHWSQXEVSA-N 2 1 296.371 -0.705 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001439056823 911079580 /nfs/dbraw/zinc/07/95/80/911079580.db2.gz NYVKRRRAUPWJET-STQMWFEESA-N 2 1 296.371 -0.705 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(C)C)C1 ZINC001439059510 911080951 /nfs/dbraw/zinc/08/09/51/911080951.db2.gz QIRMFFCIZYHCDK-CHWSQXEVSA-N 2 1 287.404 -0.570 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(C)C)C1 ZINC001439059510 911080970 /nfs/dbraw/zinc/08/09/70/911080970.db2.gz QIRMFFCIZYHCDK-CHWSQXEVSA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001439182964 911130521 /nfs/dbraw/zinc/13/05/21/911130521.db2.gz XCQXLYHNLBOLAA-NEPJUHHUSA-N 2 1 284.404 -0.301 20 0 CBADMP 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 921636193 /nfs/dbraw/zinc/63/61/93/921636193.db2.gz DZOAOAGCHOGZEC-FDYHWXHSSA-N 2 1 296.415 -0.314 20 0 CBADMP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001439223133 911148069 /nfs/dbraw/zinc/14/80/69/911148069.db2.gz QLSADQHGWJLBBB-JQWIXIFHSA-N 2 1 282.388 -0.547 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001506906123 921637966 /nfs/dbraw/zinc/63/79/66/921637966.db2.gz PCIRRHQQNORIMX-XYPYZODXSA-N 2 1 279.344 -0.839 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001439257283 911154243 /nfs/dbraw/zinc/15/42/43/911154243.db2.gz YYUXKXNTISXRDE-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP CC(C)CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439282897 911164304 /nfs/dbraw/zinc/16/43/04/911164304.db2.gz OVGGQJSAIZZPCN-STQMWFEESA-N 2 1 298.431 -0.195 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cnnn1C ZINC001439275038 911164936 /nfs/dbraw/zinc/16/49/36/911164936.db2.gz ODHFZJJYOQPQMH-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001506904156 921640234 /nfs/dbraw/zinc/64/02/34/921640234.db2.gz SVHOSZKHPORXQO-SRVKXCTJSA-N 2 1 284.404 -0.314 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439372095 911191188 /nfs/dbraw/zinc/19/11/88/911191188.db2.gz RCXGGYOEUARRGN-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439372095 911191210 /nfs/dbraw/zinc/19/12/10/911191210.db2.gz RCXGGYOEUARRGN-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001439480098 911216020 /nfs/dbraw/zinc/21/60/20/911216020.db2.gz XYYCIOKZHKQFBU-MGPQQGTHSA-N 2 1 299.415 -0.428 20 0 CBADMP CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001506944388 921645008 /nfs/dbraw/zinc/64/50/08/921645008.db2.gz ACQMZAFGJWQAEO-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001439613628 911257619 /nfs/dbraw/zinc/25/76/19/911257619.db2.gz SKXDHXBDSVMXSL-LLVKDONJSA-N 2 1 282.388 -0.416 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CCOC)C1 ZINC001440024436 911350592 /nfs/dbraw/zinc/35/05/92/911350592.db2.gz RIXWZQOFNQDUOQ-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](CCOC)C1 ZINC001440024436 911350616 /nfs/dbraw/zinc/35/06/16/911350616.db2.gz RIXWZQOFNQDUOQ-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCOC)C1 ZINC001440024436 911350638 /nfs/dbraw/zinc/35/06/38/911350638.db2.gz RIXWZQOFNQDUOQ-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP O=C(CCC[NH+]1CCCC1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001440019953 911350851 /nfs/dbraw/zinc/35/08/51/911350851.db2.gz QIMWVIMBDQRXOG-HNNXBMFYSA-N 2 1 299.415 -0.592 20 0 CBADMP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001440316137 911428107 /nfs/dbraw/zinc/42/81/07/911428107.db2.gz FWZZNZXTRBFZDF-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001440373744 911440168 /nfs/dbraw/zinc/44/01/68/911440168.db2.gz MMYALXWTQXDISC-JOCQHMNTSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001440466593 911455832 /nfs/dbraw/zinc/45/58/32/911455832.db2.gz DHDQKPAZRHWZGZ-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001440555390 911471741 /nfs/dbraw/zinc/47/17/41/911471741.db2.gz VEVXYKXXEOSWAC-CQSZACIVSA-N 2 1 296.371 -0.873 20 0 CBADMP CNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001440613022 911480371 /nfs/dbraw/zinc/48/03/71/911480371.db2.gz JHPCXVYJDZYEAK-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH2+]CC1(O)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001440637597 911486207 /nfs/dbraw/zinc/48/62/07/911486207.db2.gz UYACDPDLQHGCHY-UHFFFAOYSA-N 2 1 299.415 -0.328 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC(N)=O ZINC001440649826 911486316 /nfs/dbraw/zinc/48/63/16/911486316.db2.gz KSQDXKAJZMHGCK-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC(N)=O ZINC001440649826 911486325 /nfs/dbraw/zinc/48/63/25/911486325.db2.gz KSQDXKAJZMHGCK-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)CCC(=O)NC1(CO)CC[NH+](CCF)CC1 ZINC001440699474 911494611 /nfs/dbraw/zinc/49/46/11/911494611.db2.gz ZSSVHWBXVVQHKZ-UHFFFAOYSA-N 2 1 275.368 -0.149 20 0 CBADMP CNC(=O)C[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001440767077 911509306 /nfs/dbraw/zinc/50/93/06/911509306.db2.gz YBCFVFRUDQDXTN-HIFPTAJRSA-N 2 1 296.415 -0.441 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001440863474 911532417 /nfs/dbraw/zinc/53/24/17/911532417.db2.gz WCXGZBFDYWQQKF-WDEREUQCSA-N 2 1 272.393 -0.445 20 0 CBADMP C[C@H](CN(C)C(=O)c1cc(C[NH+](C)C)on1)[NH2+]CCO ZINC001507092414 921676447 /nfs/dbraw/zinc/67/64/47/921676447.db2.gz NMSNDBMAZVXECS-SNVBAGLBSA-N 2 1 284.360 -0.221 20 0 CBADMP CN(C)C(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001441248381 911630274 /nfs/dbraw/zinc/63/02/74/911630274.db2.gz AURWNADTJBHWLN-OLZOCXBDSA-N 2 1 296.415 -0.489 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](CC(=O)NC)CC1(C)C ZINC001441261863 911634143 /nfs/dbraw/zinc/63/41/43/911634143.db2.gz NFRPOXINZHNAMK-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[NH+](CC(=O)NC)CC1(C)C ZINC001441261863 911634151 /nfs/dbraw/zinc/63/41/51/911634151.db2.gz NFRPOXINZHNAMK-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1C[N@H+](CC(=O)NC)CC1(C)C ZINC001441261863 911634159 /nfs/dbraw/zinc/63/41/59/911634159.db2.gz NFRPOXINZHNAMK-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1C[N@@H+](CC(=O)NC)CC1(C)C ZINC001441261863 911634165 /nfs/dbraw/zinc/63/41/65/911634165.db2.gz NFRPOXINZHNAMK-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001441300163 911641313 /nfs/dbraw/zinc/64/13/13/911641313.db2.gz NPDPEVRQHJDYAI-NSHDSACASA-N 2 1 270.377 -0.704 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001441415234 911664797 /nfs/dbraw/zinc/66/47/97/911664797.db2.gz IERNTHLYKXZWSL-HAQNSBGRSA-N 2 1 294.403 -0.106 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001441415234 911664806 /nfs/dbraw/zinc/66/48/06/911664806.db2.gz IERNTHLYKXZWSL-HAQNSBGRSA-N 2 1 294.403 -0.106 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001441414210 911665311 /nfs/dbraw/zinc/66/53/11/911665311.db2.gz HZOSGIITOJKLJG-HAQNSBGRSA-N 2 1 284.404 -0.299 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001441435431 911669821 /nfs/dbraw/zinc/66/98/21/911669821.db2.gz GWHMUWYFLILHIH-WRWGMCAJSA-N 2 1 282.388 -0.691 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H](C[NH2+]CC(N)=O)C2CC2)CC[N@H+]1C ZINC001441451799 911673551 /nfs/dbraw/zinc/67/35/51/911673551.db2.gz YUOJKJPHOWTOHN-RAIGVLPGSA-N 2 1 296.415 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001441516232 911691831 /nfs/dbraw/zinc/69/18/31/911691831.db2.gz BKRLBJLWKUQQHN-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001441521029 911694037 /nfs/dbraw/zinc/69/40/37/911694037.db2.gz PKGJFYSUKNFWHA-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001441563817 911708298 /nfs/dbraw/zinc/70/82/98/911708298.db2.gz GTGGUNJNVJTNLL-GFCCVEGCSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001441563817 911708316 /nfs/dbraw/zinc/70/83/16/911708316.db2.gz GTGGUNJNVJTNLL-GFCCVEGCSA-N 2 1 296.415 -0.358 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001441613225 911718228 /nfs/dbraw/zinc/71/82/28/911718228.db2.gz CUQSWRKDESYHEF-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507126864 921686421 /nfs/dbraw/zinc/68/64/21/921686421.db2.gz OKKYEUATCINMCM-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001441657997 911724376 /nfs/dbraw/zinc/72/43/76/911724376.db2.gz MHPZMCRWHUBXST-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001441657997 911724387 /nfs/dbraw/zinc/72/43/87/911724387.db2.gz MHPZMCRWHUBXST-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001441657992 911726269 /nfs/dbraw/zinc/72/62/69/911726269.db2.gz MHPZMCRWHUBXST-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001441657992 911726278 /nfs/dbraw/zinc/72/62/78/911726278.db2.gz MHPZMCRWHUBXST-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](CO)[NH2+]CCF ZINC001441714366 911762722 /nfs/dbraw/zinc/76/27/22/911762722.db2.gz IHKJRXRILRSQGZ-NWDGAFQWSA-N 2 1 275.368 -0.103 20 0 CBADMP CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001441749062 911778599 /nfs/dbraw/zinc/77/85/99/911778599.db2.gz IFNUZOBXRXIEJK-NEPJUHHUSA-N 2 1 280.372 -0.159 20 0 CBADMP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ncnn1C ZINC001507152541 921692255 /nfs/dbraw/zinc/69/22/55/921692255.db2.gz CUUXVFZJFSUHCT-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CCN1CCCC1=O ZINC001441783753 911802271 /nfs/dbraw/zinc/80/22/71/911802271.db2.gz HMNIGZPGVMYTMF-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP Cc1nocc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441786371 911804354 /nfs/dbraw/zinc/80/43/54/911804354.db2.gz FFULIUKWGSGIMI-AAEUAGOBSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1nocc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441786371 911804362 /nfs/dbraw/zinc/80/43/62/911804362.db2.gz FFULIUKWGSGIMI-AAEUAGOBSA-N 2 1 296.371 -0.499 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001441829366 911827612 /nfs/dbraw/zinc/82/76/12/911827612.db2.gz GBFGTGSUHDJRCA-GHMZBOCLSA-N 2 1 270.377 -0.609 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001441857015 911833548 /nfs/dbraw/zinc/83/35/48/911833548.db2.gz RTZKIBOAIHBQOX-ZYHUDNBSSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cn(C)nn1 ZINC001441845147 911836815 /nfs/dbraw/zinc/83/68/15/911836815.db2.gz TUSFJYREIICNBZ-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC(N)=O ZINC001441904400 911849949 /nfs/dbraw/zinc/84/99/49/911849949.db2.gz PYOPOUSDZCTWRX-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1CC(N)=O ZINC001441904400 911849956 /nfs/dbraw/zinc/84/99/56/911849956.db2.gz PYOPOUSDZCTWRX-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CN(C[C@H](O)C[N@H+](C)CCF)C(=O)[C@@H]1CCC[NH+]1C ZINC001442060313 911914193 /nfs/dbraw/zinc/91/41/93/911914193.db2.gz UJGOWAKSCFDBMJ-NEPJUHHUSA-N 2 1 275.368 -0.199 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)[C@@H]1CCC[NH+]1C ZINC001442060313 911914213 /nfs/dbraw/zinc/91/42/13/911914213.db2.gz UJGOWAKSCFDBMJ-NEPJUHHUSA-N 2 1 275.368 -0.199 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCF)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001442060313 911914229 /nfs/dbraw/zinc/91/42/29/911914229.db2.gz UJGOWAKSCFDBMJ-NEPJUHHUSA-N 2 1 275.368 -0.199 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCF)C(=O)[C@@H]1CCC[N@H+]1C ZINC001442060313 911914245 /nfs/dbraw/zinc/91/42/45/911914245.db2.gz UJGOWAKSCFDBMJ-NEPJUHHUSA-N 2 1 275.368 -0.199 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001442119947 911933234 /nfs/dbraw/zinc/93/32/34/911933234.db2.gz KMDJGSCVJKMQQE-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001442194429 911949918 /nfs/dbraw/zinc/94/99/18/911949918.db2.gz CODZZRDFFAJQNE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001442194429 911949934 /nfs/dbraw/zinc/94/99/34/911949934.db2.gz CODZZRDFFAJQNE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001442194429 911949952 /nfs/dbraw/zinc/94/99/52/911949952.db2.gz CODZZRDFFAJQNE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001442194429 911949962 /nfs/dbraw/zinc/94/99/62/911949962.db2.gz CODZZRDFFAJQNE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001442248085 911957486 /nfs/dbraw/zinc/95/74/86/911957486.db2.gz MBMWIMVOWTWBLU-HIFPTAJRSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001442350239 911981806 /nfs/dbraw/zinc/98/18/06/911981806.db2.gz JPCNKFPGOYJUBY-YPMHNXCESA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001442431713 912013700 /nfs/dbraw/zinc/01/37/00/912013700.db2.gz OWWPENLQSLGZBI-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001442431713 912013708 /nfs/dbraw/zinc/01/37/08/912013708.db2.gz OWWPENLQSLGZBI-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001442431713 912013722 /nfs/dbraw/zinc/01/37/22/912013722.db2.gz OWWPENLQSLGZBI-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001442431713 912013726 /nfs/dbraw/zinc/01/37/26/912013726.db2.gz OWWPENLQSLGZBI-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC001442534437 912037046 /nfs/dbraw/zinc/03/70/46/912037046.db2.gz KIYASVCJCZTNGZ-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC001442534437 912037060 /nfs/dbraw/zinc/03/70/60/912037060.db2.gz KIYASVCJCZTNGZ-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCN(C)C1=O ZINC001442576939 912056307 /nfs/dbraw/zinc/05/63/07/912056307.db2.gz AVAVQMLMJUZNQL-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCN(C)C1=O ZINC001442576939 912056324 /nfs/dbraw/zinc/05/63/24/912056324.db2.gz AVAVQMLMJUZNQL-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001442576939 912056341 /nfs/dbraw/zinc/05/63/41/912056341.db2.gz AVAVQMLMJUZNQL-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001442576939 912056362 /nfs/dbraw/zinc/05/63/62/912056362.db2.gz AVAVQMLMJUZNQL-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)[C@H](C)C(=O)NC ZINC001442700737 912087966 /nfs/dbraw/zinc/08/79/66/912087966.db2.gz IWWHNOJJNGUVJI-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CC1)[C@H](C)C(=O)NC ZINC001442700737 912087975 /nfs/dbraw/zinc/08/79/75/912087975.db2.gz IWWHNOJJNGUVJI-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)CC(N)=O ZINC001442724507 912090848 /nfs/dbraw/zinc/09/08/48/912090848.db2.gz ZETBSMHEKAHROM-UHFFFAOYSA-N 2 1 286.420 -0.112 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)CC(N)=O ZINC001442724507 912090862 /nfs/dbraw/zinc/09/08/62/912090862.db2.gz ZETBSMHEKAHROM-UHFFFAOYSA-N 2 1 286.420 -0.112 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)CC(N)=O ZINC001442724507 912090878 /nfs/dbraw/zinc/09/08/78/912090878.db2.gz ZETBSMHEKAHROM-UHFFFAOYSA-N 2 1 286.420 -0.112 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC(N)=O ZINC001442724507 912090891 /nfs/dbraw/zinc/09/08/91/912090891.db2.gz ZETBSMHEKAHROM-UHFFFAOYSA-N 2 1 286.420 -0.112 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001442901230 912125030 /nfs/dbraw/zinc/12/50/30/912125030.db2.gz CVVQMEVSWAUYHF-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001442901230 912125045 /nfs/dbraw/zinc/12/50/45/912125045.db2.gz CVVQMEVSWAUYHF-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001442901230 912125059 /nfs/dbraw/zinc/12/50/59/912125059.db2.gz CVVQMEVSWAUYHF-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(=O)NC ZINC001442953450 912127573 /nfs/dbraw/zinc/12/75/73/912127573.db2.gz VKHVPOFEADJFPF-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(=O)NC ZINC001442953450 912127584 /nfs/dbraw/zinc/12/75/84/912127584.db2.gz VKHVPOFEADJFPF-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)CC(=O)NC ZINC001442953450 912127598 /nfs/dbraw/zinc/12/75/98/912127598.db2.gz VKHVPOFEADJFPF-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CC(=O)NC ZINC001442953450 912127614 /nfs/dbraw/zinc/12/76/14/912127614.db2.gz VKHVPOFEADJFPF-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001443090024 912151764 /nfs/dbraw/zinc/15/17/64/912151764.db2.gz IOIPROSBISUOCF-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001443106258 912155357 /nfs/dbraw/zinc/15/53/57/912155357.db2.gz WCYHAZPALPPPRE-NSHDSACASA-N 2 1 270.377 -0.737 20 0 CBADMP CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001443093688 912155797 /nfs/dbraw/zinc/15/57/97/912155797.db2.gz AWYLFWZOFNCOHP-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001443107866 912157097 /nfs/dbraw/zinc/15/70/97/912157097.db2.gz ZIMNCNABPGZJQE-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP COC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001443112564 912161571 /nfs/dbraw/zinc/16/15/71/912161571.db2.gz XFSABUUOJDCNFG-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP COC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001443112564 912161582 /nfs/dbraw/zinc/16/15/82/912161582.db2.gz XFSABUUOJDCNFG-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443249498 912174011 /nfs/dbraw/zinc/17/40/11/912174011.db2.gz RKVIHFIGLRAVEQ-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443330154 912182661 /nfs/dbraw/zinc/18/26/61/912182661.db2.gz MGEARGZUXANOLX-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443331563 912184767 /nfs/dbraw/zinc/18/47/67/912184767.db2.gz MGEARGZUXANOLX-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001443315007 912185564 /nfs/dbraw/zinc/18/55/64/912185564.db2.gz AUNFPVBRXNXVTE-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC001466683035 915142196 /nfs/dbraw/zinc/14/21/96/915142196.db2.gz NKXRDIXIPPMRGN-HNNXBMFYSA-N 2 1 292.383 -0.060 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NC[C@H](CO)[NH2+]CC2CC2)no1 ZINC001507212094 921748469 /nfs/dbraw/zinc/74/84/69/921748469.db2.gz RLHPSKWTFQXVGE-LLVKDONJSA-N 2 1 296.371 -0.174 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001507264686 921790980 /nfs/dbraw/zinc/79/09/80/921790980.db2.gz KXCFRPGTRFSIJN-VXGBXAGGSA-N 2 1 275.368 -0.103 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001472231387 915711190 /nfs/dbraw/zinc/71/11/90/915711190.db2.gz ABYMRKMZDBKABE-CQSZACIVSA-N 2 1 294.443 -0.062 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC=C(C)C)C1 ZINC001507266010 921796118 /nfs/dbraw/zinc/79/61/18/921796118.db2.gz WDEXZRVUFOOPFO-KGLIPLIRSA-N 2 1 299.415 -0.260 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC=C(C)C)C1 ZINC001507266010 921796126 /nfs/dbraw/zinc/79/61/26/921796126.db2.gz WDEXZRVUFOOPFO-KGLIPLIRSA-N 2 1 299.415 -0.260 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCC2CC2)C1 ZINC001507265350 921796286 /nfs/dbraw/zinc/79/62/86/921796286.db2.gz OZHVPHJVUGKOMG-KBPBESRZSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCC2CC2)C1 ZINC001507265350 921796298 /nfs/dbraw/zinc/79/62/98/921796298.db2.gz OZHVPHJVUGKOMG-KBPBESRZSA-N 2 1 299.415 -0.426 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473841778 915868939 /nfs/dbraw/zinc/86/89/39/915868939.db2.gz BQGCKGWLLNNLJX-KFWWJZLASA-N 2 1 285.432 -0.191 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473841778 915868952 /nfs/dbraw/zinc/86/89/52/915868952.db2.gz BQGCKGWLLNNLJX-KFWWJZLASA-N 2 1 285.432 -0.191 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473841778 915868965 /nfs/dbraw/zinc/86/89/65/915868965.db2.gz BQGCKGWLLNNLJX-KFWWJZLASA-N 2 1 285.432 -0.191 20 0 CBADMP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(C)nn2)CC1 ZINC001473931076 915878545 /nfs/dbraw/zinc/87/85/45/915878545.db2.gz CDWYOPASGAZWGU-GFCCVEGCSA-N 2 1 266.393 -0.069 20 0 CBADMP C[N@@H+](Cc1cn(CC(N)=O)nn1)CC1CC[NH+](C)CC1 ZINC001474336213 915888982 /nfs/dbraw/zinc/88/89/82/915888982.db2.gz VOVZXGOPGPFYPH-UHFFFAOYSA-N 2 1 280.376 -0.463 20 0 CBADMP C[N@H+](Cc1cn(CC(N)=O)nn1)CC1CC[NH+](C)CC1 ZINC001474336213 915888995 /nfs/dbraw/zinc/88/89/95/915888995.db2.gz VOVZXGOPGPFYPH-UHFFFAOYSA-N 2 1 280.376 -0.463 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479790356 916174397 /nfs/dbraw/zinc/17/43/97/916174397.db2.gz VUHIVNDWOFGUJX-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001479790356 916174412 /nfs/dbraw/zinc/17/44/12/916174412.db2.gz VUHIVNDWOFGUJX-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001479790356 916174423 /nfs/dbraw/zinc/17/44/23/916174423.db2.gz VUHIVNDWOFGUJX-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001479812206 916183520 /nfs/dbraw/zinc/18/35/20/916183520.db2.gz IBTOGYJGICRBDT-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@H+](CCCNC(=O)Cn1c[nH+]cc1C)[C@@H](C)C(N)=O ZINC001479850024 916197233 /nfs/dbraw/zinc/19/72/33/916197233.db2.gz RSNQZFXOBMKBOX-LBPRGKRZSA-N 2 1 295.387 -0.106 20 0 CBADMP CC[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)[C@@H](C)C(N)=O ZINC001479850024 916197239 /nfs/dbraw/zinc/19/72/39/916197239.db2.gz RSNQZFXOBMKBOX-LBPRGKRZSA-N 2 1 295.387 -0.106 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH+](CC(N)=O)C2CC2)C1 ZINC001479876750 916200416 /nfs/dbraw/zinc/20/04/16/916200416.db2.gz VCFPJCRYCFTRDV-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@H+](CC(N)=O)C2CC2)C1 ZINC001479876750 916200433 /nfs/dbraw/zinc/20/04/33/916200433.db2.gz VCFPJCRYCFTRDV-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@@H+](CC(N)=O)C2CC2)C1 ZINC001479876750 916200447 /nfs/dbraw/zinc/20/04/47/916200447.db2.gz VCFPJCRYCFTRDV-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]([NH2+]CC(=O)N(C)C)C1CC1 ZINC001480065950 916277699 /nfs/dbraw/zinc/27/76/99/916277699.db2.gz LKRYLPMSKBHSTM-ZDUSSCGKSA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480132488 916299249 /nfs/dbraw/zinc/29/92/49/916299249.db2.gz XHNUSVMJLVKEHP-SRVKXCTJSA-N 2 1 282.388 -0.547 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCCO)C2)C1 ZINC001480167516 916315807 /nfs/dbraw/zinc/31/58/07/916315807.db2.gz MOAFAYQPRSIKON-JHJVBQTASA-N 2 1 269.389 -0.053 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001480231193 916337791 /nfs/dbraw/zinc/33/77/91/916337791.db2.gz BVBHQZYKJATRIF-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001480233512 916339335 /nfs/dbraw/zinc/33/93/35/916339335.db2.gz DLSVITQEENYJRR-PHIMTYICSA-N 2 1 270.377 -0.689 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[NH2+]CCCO)C2)C1 ZINC001480280232 916350035 /nfs/dbraw/zinc/35/00/35/916350035.db2.gz ZXPZCAGUWXAMJY-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[NH2+]CCCO)C2)C1 ZINC001480280232 916350051 /nfs/dbraw/zinc/35/00/51/916350051.db2.gz ZXPZCAGUWXAMJY-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001480351019 916362533 /nfs/dbraw/zinc/36/25/33/916362533.db2.gz FPVZAGXLHIDBMP-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP CCOCCC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001480437384 916402983 /nfs/dbraw/zinc/40/29/83/916402983.db2.gz BMBUCQRSQMXCDG-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCCC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001480437384 916402992 /nfs/dbraw/zinc/40/29/92/916402992.db2.gz BMBUCQRSQMXCDG-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001480460869 916422902 /nfs/dbraw/zinc/42/29/02/916422902.db2.gz XZMPSCDYSZHWGN-MNOVXSKESA-N 2 1 270.377 -0.561 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480571560 916477490 /nfs/dbraw/zinc/47/74/90/916477490.db2.gz INXUFLMYFLYNLD-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480590823 916488101 /nfs/dbraw/zinc/48/81/01/916488101.db2.gz VNCDLSBHRXHIPJ-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001480597540 916489015 /nfs/dbraw/zinc/48/90/15/916489015.db2.gz QVZHWZJQPJPTJT-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@H](C[NH2+]CCO)C1)C1CCC1 ZINC001480647242 916510446 /nfs/dbraw/zinc/51/04/46/916510446.db2.gz BOCRLPPINWCWEW-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480741219 916524521 /nfs/dbraw/zinc/52/45/21/916524521.db2.gz MTYKMZNXMPGPGJ-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480741219 916524534 /nfs/dbraw/zinc/52/45/34/916524534.db2.gz MTYKMZNXMPGPGJ-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@H]1CCCCO1 ZINC001480851949 916574879 /nfs/dbraw/zinc/57/48/79/916574879.db2.gz MUMDEZGSJKPMIR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@H]1CCCCO1 ZINC001480851949 916574888 /nfs/dbraw/zinc/57/48/88/916574888.db2.gz MUMDEZGSJKPMIR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C[C@H]1CCCCO1 ZINC001480851949 916574898 /nfs/dbraw/zinc/57/48/98/916574898.db2.gz MUMDEZGSJKPMIR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C[C@H]1CCCCO1 ZINC001480851949 916574908 /nfs/dbraw/zinc/57/49/08/916574908.db2.gz MUMDEZGSJKPMIR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480865467 916593114 /nfs/dbraw/zinc/59/31/14/916593114.db2.gz HKRBHQIDZNEQAH-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480865467 916593129 /nfs/dbraw/zinc/59/31/29/916593129.db2.gz HKRBHQIDZNEQAH-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480865467 916593140 /nfs/dbraw/zinc/59/31/40/916593140.db2.gz HKRBHQIDZNEQAH-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480865467 916593155 /nfs/dbraw/zinc/59/31/55/916593155.db2.gz HKRBHQIDZNEQAH-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480934604 916642512 /nfs/dbraw/zinc/64/25/12/916642512.db2.gz BPHBYGNAKGTYRG-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480934604 916642521 /nfs/dbraw/zinc/64/25/21/916642521.db2.gz BPHBYGNAKGTYRG-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480934604 916642532 /nfs/dbraw/zinc/64/25/32/916642532.db2.gz BPHBYGNAKGTYRG-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001480934604 916642545 /nfs/dbraw/zinc/64/25/45/916642545.db2.gz BPHBYGNAKGTYRG-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CCCNC1=O ZINC001480935755 916643829 /nfs/dbraw/zinc/64/38/29/916643829.db2.gz RFLKVFJGSJCDET-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CCCNC1=O ZINC001480935755 916643837 /nfs/dbraw/zinc/64/38/37/916643837.db2.gz RFLKVFJGSJCDET-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCCNC1=O ZINC001480935755 916643845 /nfs/dbraw/zinc/64/38/45/916643845.db2.gz RFLKVFJGSJCDET-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCNC1=O ZINC001480935755 916643854 /nfs/dbraw/zinc/64/38/54/916643854.db2.gz RFLKVFJGSJCDET-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CCCNC1=O ZINC001480935757 916644031 /nfs/dbraw/zinc/64/40/31/916644031.db2.gz RFLKVFJGSJCDET-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CCCNC1=O ZINC001480935757 916644039 /nfs/dbraw/zinc/64/40/39/916644039.db2.gz RFLKVFJGSJCDET-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCNC1=O ZINC001480935757 916644046 /nfs/dbraw/zinc/64/40/46/916644046.db2.gz RFLKVFJGSJCDET-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCNC1=O ZINC001480935757 916644056 /nfs/dbraw/zinc/64/40/56/916644056.db2.gz RFLKVFJGSJCDET-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](CCNC(=O)CCC[NH+](C)C)[C@H]1CCN(C)C1=O ZINC001480995640 916673710 /nfs/dbraw/zinc/67/37/10/916673710.db2.gz AECXLDBKUAVDKX-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CC(=O)N(C)C ZINC001480999715 916678949 /nfs/dbraw/zinc/67/89/49/916678949.db2.gz BCTRLMXKYJUXSW-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CC(=O)N(C)C ZINC001480999715 916678957 /nfs/dbraw/zinc/67/89/57/916678957.db2.gz BCTRLMXKYJUXSW-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)CC(=O)N(C)C ZINC001480999715 916678971 /nfs/dbraw/zinc/67/89/71/916678971.db2.gz BCTRLMXKYJUXSW-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)CC(=O)N(C)C ZINC001480999715 916678986 /nfs/dbraw/zinc/67/89/86/916678986.db2.gz BCTRLMXKYJUXSW-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCNC(=O)C[N@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001481012298 916686654 /nfs/dbraw/zinc/68/66/54/916686654.db2.gz YADXVPAEFXCBJR-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[N@@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001481012298 916686659 /nfs/dbraw/zinc/68/66/59/916686659.db2.gz YADXVPAEFXCBJR-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+](CC)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001481012298 916686667 /nfs/dbraw/zinc/68/66/67/916686667.db2.gz YADXVPAEFXCBJR-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+](CC)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001481012298 916686673 /nfs/dbraw/zinc/68/66/73/916686673.db2.gz YADXVPAEFXCBJR-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001481044098 916697140 /nfs/dbraw/zinc/69/71/40/916697140.db2.gz JTLOAUVNLXTNHT-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001481044098 916697147 /nfs/dbraw/zinc/69/71/47/916697147.db2.gz JTLOAUVNLXTNHT-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001481044098 916697155 /nfs/dbraw/zinc/69/71/55/916697155.db2.gz JTLOAUVNLXTNHT-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001481044098 916697166 /nfs/dbraw/zinc/69/71/66/916697166.db2.gz JTLOAUVNLXTNHT-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H](C)C(N)=O ZINC001481132269 916731602 /nfs/dbraw/zinc/73/16/02/916731602.db2.gz JDRIPIDYHIZTKT-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C)C(N)=O ZINC001481132269 916731612 /nfs/dbraw/zinc/73/16/12/916731612.db2.gz JDRIPIDYHIZTKT-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@@H](C)C(N)=O ZINC001481132269 916731623 /nfs/dbraw/zinc/73/16/23/916731623.db2.gz JDRIPIDYHIZTKT-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001481162724 916741993 /nfs/dbraw/zinc/74/19/93/916741993.db2.gz OHHIZPFTOXEASX-JQWIXIFHSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001481162724 916742005 /nfs/dbraw/zinc/74/20/05/916742005.db2.gz OHHIZPFTOXEASX-JQWIXIFHSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001481162724 916742010 /nfs/dbraw/zinc/74/20/10/916742010.db2.gz OHHIZPFTOXEASX-JQWIXIFHSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001481162724 916742019 /nfs/dbraw/zinc/74/20/19/916742019.db2.gz OHHIZPFTOXEASX-JQWIXIFHSA-N 2 1 282.388 -0.465 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481315217 916815469 /nfs/dbraw/zinc/81/54/69/916815469.db2.gz SOQBBDCGRFKSSX-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481314241 916816370 /nfs/dbraw/zinc/81/63/70/916816370.db2.gz BWSSQLSJABGERV-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001481315306 916817510 /nfs/dbraw/zinc/81/75/10/916817510.db2.gz VSMNPCFRAJGGBO-NSHDSACASA-N 2 1 279.344 -0.872 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481478914 916844490 /nfs/dbraw/zinc/84/44/90/916844490.db2.gz CCYGVJAZCREZCT-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001481478914 916844505 /nfs/dbraw/zinc/84/45/05/916844505.db2.gz CCYGVJAZCREZCT-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001481478914 916844516 /nfs/dbraw/zinc/84/45/16/916844516.db2.gz CCYGVJAZCREZCT-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001481658578 916931836 /nfs/dbraw/zinc/93/18/36/916931836.db2.gz MVAISGVCHBWHCZ-LBPRGKRZSA-N 2 1 282.388 -0.606 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC(N)=O ZINC001481816506 916995464 /nfs/dbraw/zinc/99/54/64/916995464.db2.gz MGPHDLSIVOGONT-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nncn1C ZINC001481849648 917004088 /nfs/dbraw/zinc/00/40/88/917004088.db2.gz LJAWWGLWCSBIAK-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)CC ZINC001481874163 917011938 /nfs/dbraw/zinc/01/19/38/917011938.db2.gz FFLBWMOIZVXXJY-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC ZINC001481870490 917012375 /nfs/dbraw/zinc/01/23/75/917012375.db2.gz MYRLJZPCIDDRQM-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)[NH2+]CCCO ZINC001481882701 917017497 /nfs/dbraw/zinc/01/74/97/917017497.db2.gz PZSKBOGLXAFIGC-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)[NH2+]CCCO ZINC001481882701 917017504 /nfs/dbraw/zinc/01/75/04/917017504.db2.gz PZSKBOGLXAFIGC-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)[NH2+]CCCO ZINC001481882704 917018041 /nfs/dbraw/zinc/01/80/41/917018041.db2.gz PZSKBOGLXAFIGC-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)[NH2+]CCCO ZINC001481882704 917018056 /nfs/dbraw/zinc/01/80/56/917018056.db2.gz PZSKBOGLXAFIGC-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCOC)C1 ZINC001482066743 917036991 /nfs/dbraw/zinc/03/69/91/917036991.db2.gz JNHCNOIDOARQPC-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCOC)C1 ZINC001482066743 917037005 /nfs/dbraw/zinc/03/70/05/917037005.db2.gz JNHCNOIDOARQPC-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)N(C)C ZINC001482167047 917069225 /nfs/dbraw/zinc/06/92/25/917069225.db2.gz AEBVOIKNJBGWML-NWDGAFQWSA-N 2 1 284.404 -0.632 20 0 CBADMP COCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482169755 917069808 /nfs/dbraw/zinc/06/98/08/917069808.db2.gz VWOVLOFUHCPHBA-RYUDHWBXSA-N 2 1 257.378 -0.074 20 0 CBADMP COC[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482198928 917085716 /nfs/dbraw/zinc/08/57/16/917085716.db2.gz OHWDKCGWWJVWAS-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP COC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482198928 917085733 /nfs/dbraw/zinc/08/57/33/917085733.db2.gz OHWDKCGWWJVWAS-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001482649226 917196653 /nfs/dbraw/zinc/19/66/53/917196653.db2.gz IZCVKTRIDPNHOZ-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001482649226 917196668 /nfs/dbraw/zinc/19/66/68/917196668.db2.gz IZCVKTRIDPNHOZ-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482649226 917196693 /nfs/dbraw/zinc/19/66/93/917196693.db2.gz IZCVKTRIDPNHOZ-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482649226 917196706 /nfs/dbraw/zinc/19/67/06/917196706.db2.gz IZCVKTRIDPNHOZ-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CC(N)=O)C1 ZINC001482667640 917201150 /nfs/dbraw/zinc/20/11/50/917201150.db2.gz TWVCOVXSZFDQHD-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(N)=O)C1 ZINC001482667640 917201163 /nfs/dbraw/zinc/20/11/63/917201163.db2.gz TWVCOVXSZFDQHD-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(N)=O)C1 ZINC001482667640 917201172 /nfs/dbraw/zinc/20/11/72/917201172.db2.gz TWVCOVXSZFDQHD-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC2CCOCC2)C1 ZINC001482791462 917285735 /nfs/dbraw/zinc/28/57/35/917285735.db2.gz SHUVZOUHWNHZCD-UONOGXRCSA-N 2 1 299.415 -0.569 20 0 CBADMP CC(C)OCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482790674 917288612 /nfs/dbraw/zinc/28/86/12/917288612.db2.gz HKFPJXIIZAUVSP-CHWSQXEVSA-N 2 1 287.404 -0.570 20 0 CBADMP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482832302 917310214 /nfs/dbraw/zinc/31/02/14/917310214.db2.gz FNPHWWKDIQIUCX-IJLUTSLNSA-N 2 1 284.404 -0.443 20 0 CBADMP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482841194 917310480 /nfs/dbraw/zinc/31/04/80/917310480.db2.gz CRHDDICJTMRQIK-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001482875757 917319968 /nfs/dbraw/zinc/31/99/68/917319968.db2.gz ZALKRSBODDUDBQ-NSHDSACASA-N 2 1 286.420 -0.066 20 0 CBADMP C[C@@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482899304 917325537 /nfs/dbraw/zinc/32/55/37/917325537.db2.gz NRYFNCKPNZJYHY-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCCO ZINC001482990706 917361518 /nfs/dbraw/zinc/36/15/18/917361518.db2.gz GQYWSHZKWKTVDK-ZZKXABKFSA-N 2 1 255.362 -0.275 20 0 CBADMP COC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482993430 917366343 /nfs/dbraw/zinc/36/63/43/917366343.db2.gz RUDAXFDXLKBIRZ-WWKJKZQJSA-N 2 1 285.388 -0.386 20 0 CBADMP COC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482993430 917366356 /nfs/dbraw/zinc/36/63/56/917366356.db2.gz RUDAXFDXLKBIRZ-WWKJKZQJSA-N 2 1 285.388 -0.386 20 0 CBADMP Cn1cc(C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C)nn1 ZINC001483054984 917392781 /nfs/dbraw/zinc/39/27/81/917392781.db2.gz UMMYIAHGUBTWQA-PLNGDYQASA-N 2 1 280.376 -0.471 20 0 CBADMP C[C@H](C[NH2+]CCCF)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483117293 917416249 /nfs/dbraw/zinc/41/62/49/917416249.db2.gz AFUJTARGBMHFAD-GHMZBOCLSA-N 2 1 261.341 -0.229 20 0 CBADMP C[C@H](C[NH2+]CCCF)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483117293 917416259 /nfs/dbraw/zinc/41/62/59/917416259.db2.gz AFUJTARGBMHFAD-GHMZBOCLSA-N 2 1 261.341 -0.229 20 0 CBADMP C[C@H](C[NH2+]CCN1CCNC1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001483116053 917417764 /nfs/dbraw/zinc/41/77/64/917417764.db2.gz BDYHZLZRRREJEK-VXGBXAGGSA-N 2 1 297.403 -0.800 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001483137066 917431126 /nfs/dbraw/zinc/43/11/26/917431126.db2.gz JTSWRCHHAKXHSI-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001483149347 917436040 /nfs/dbraw/zinc/43/60/40/917436040.db2.gz FOCODCNXQAPDBH-PWSUYJOCSA-N 2 1 293.371 -0.483 20 0 CBADMP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001483157757 917437384 /nfs/dbraw/zinc/43/73/84/917437384.db2.gz YQPTWFSTHJZJNV-KXUCPTDWSA-N 2 1 256.350 -0.951 20 0 CBADMP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001483157758 917441004 /nfs/dbraw/zinc/44/10/04/917441004.db2.gz YQPTWFSTHJZJNV-OPRDCNLKSA-N 2 1 256.350 -0.951 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cnnn1C ZINC001483296380 917511042 /nfs/dbraw/zinc/51/10/42/917511042.db2.gz GTGUEUHRBBVDEK-NSHDSACASA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483340335 917540974 /nfs/dbraw/zinc/54/09/74/917540974.db2.gz ZRJAPJBQJIWXGC-WCQYABFASA-N 2 1 269.389 -0.243 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@@H]1CCN(C)C1=O ZINC001483405590 917555721 /nfs/dbraw/zinc/55/57/21/917555721.db2.gz ZAWPPPQTAAEKQN-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001483405590 917555732 /nfs/dbraw/zinc/55/57/32/917555732.db2.gz ZAWPPPQTAAEKQN-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001483405590 917555740 /nfs/dbraw/zinc/55/57/40/917555740.db2.gz ZAWPPPQTAAEKQN-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H]1CCN(C)C1=O ZINC001483420952 917560180 /nfs/dbraw/zinc/56/01/80/917560180.db2.gz MZRDPWDCEOZCRQ-STQMWFEESA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001483420952 917560165 /nfs/dbraw/zinc/56/01/65/917560165.db2.gz MZRDPWDCEOZCRQ-STQMWFEESA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H]1CCN(C)C1=O ZINC001483420952 917560174 /nfs/dbraw/zinc/56/01/74/917560174.db2.gz MZRDPWDCEOZCRQ-STQMWFEESA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001483420948 917560290 /nfs/dbraw/zinc/56/02/90/917560290.db2.gz MZRDPWDCEOZCRQ-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H]1CCN(C)C1=O ZINC001483420948 917560299 /nfs/dbraw/zinc/56/02/99/917560299.db2.gz MZRDPWDCEOZCRQ-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H]1CCN(C)C1=O ZINC001483420948 917560305 /nfs/dbraw/zinc/56/03/05/917560305.db2.gz MZRDPWDCEOZCRQ-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483466606 917572968 /nfs/dbraw/zinc/57/29/68/917572968.db2.gz MWEQQMBGSAIUIL-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCCO)C2CC2)C1 ZINC001483604901 917602278 /nfs/dbraw/zinc/60/22/78/917602278.db2.gz AGFKMWHADLMXEW-STQMWFEESA-N 2 1 269.389 -0.195 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1CCCO ZINC001483689396 917642834 /nfs/dbraw/zinc/64/28/34/917642834.db2.gz QHUBOOSXTKDUTI-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001483689396 917642841 /nfs/dbraw/zinc/64/28/41/917642841.db2.gz QHUBOOSXTKDUTI-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001483689396 917642851 /nfs/dbraw/zinc/64/28/51/917642851.db2.gz QHUBOOSXTKDUTI-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CCN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001483722095 917654477 /nfs/dbraw/zinc/65/44/77/917654477.db2.gz QENXJNSPKIWKJN-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001484059451 917729877 /nfs/dbraw/zinc/72/98/77/917729877.db2.gz RVKVGBSERURHKN-HNNXBMFYSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001484059451 917729884 /nfs/dbraw/zinc/72/98/84/917729884.db2.gz RVKVGBSERURHKN-HNNXBMFYSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001484065780 917733580 /nfs/dbraw/zinc/73/35/80/917733580.db2.gz ZJQZFWQALNOSTN-IUODEOHRSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001484065780 917733590 /nfs/dbraw/zinc/73/35/90/917733590.db2.gz ZJQZFWQALNOSTN-IUODEOHRSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001484065780 917733599 /nfs/dbraw/zinc/73/35/99/917733599.db2.gz ZJQZFWQALNOSTN-IUODEOHRSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001484065780 917733610 /nfs/dbraw/zinc/73/36/10/917733610.db2.gz ZJQZFWQALNOSTN-IUODEOHRSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC(=O)N(C)C)C1 ZINC001484067029 917733792 /nfs/dbraw/zinc/73/37/92/917733792.db2.gz GGBRKEDOARNYGH-HNNXBMFYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC(=O)N(C)C)C1 ZINC001484067029 917733797 /nfs/dbraw/zinc/73/37/97/917733797.db2.gz GGBRKEDOARNYGH-HNNXBMFYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](CC(=O)N(C)C)C1 ZINC001484067029 917733802 /nfs/dbraw/zinc/73/38/02/917733802.db2.gz GGBRKEDOARNYGH-HNNXBMFYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001484067029 917733806 /nfs/dbraw/zinc/73/38/06/917733806.db2.gz GGBRKEDOARNYGH-HNNXBMFYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCO)C2)CC[N@H+]1C ZINC001484235028 917777179 /nfs/dbraw/zinc/77/71/79/917777179.db2.gz FGNKRPZSMFFMCI-KCQAQPDRSA-N 2 1 299.415 -0.738 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CCO)C2)CC[NH+]1C ZINC001484235028 917777194 /nfs/dbraw/zinc/77/71/94/917777194.db2.gz FGNKRPZSMFFMCI-KCQAQPDRSA-N 2 1 299.415 -0.738 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001484235028 917777206 /nfs/dbraw/zinc/77/72/06/917777206.db2.gz FGNKRPZSMFFMCI-KCQAQPDRSA-N 2 1 299.415 -0.738 20 0 CBADMP CC(C)[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484252631 917792248 /nfs/dbraw/zinc/79/22/48/917792248.db2.gz VZWGYNABIOSQLZ-TZMCWYRMSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484252631 917792259 /nfs/dbraw/zinc/79/22/59/917792259.db2.gz VZWGYNABIOSQLZ-TZMCWYRMSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484252631 917792272 /nfs/dbraw/zinc/79/22/72/917792272.db2.gz VZWGYNABIOSQLZ-TZMCWYRMSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001484368144 917836436 /nfs/dbraw/zinc/83/64/36/917836436.db2.gz BUMLWMAWSPQTNM-RYUDHWBXSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001484443402 917855232 /nfs/dbraw/zinc/85/52/32/917855232.db2.gz GTGNLSUNBKLVSY-DZGCQCFKSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001484443402 917855244 /nfs/dbraw/zinc/85/52/44/917855244.db2.gz GTGNLSUNBKLVSY-DZGCQCFKSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001484443402 917855251 /nfs/dbraw/zinc/85/52/51/917855251.db2.gz GTGNLSUNBKLVSY-DZGCQCFKSA-N 2 1 299.415 -0.736 20 0 CBADMP C[N@@H+](CC(=O)N[C@]1(CO)CCC[NH+](CCO)C1)C1CCC1 ZINC001484437429 917857832 /nfs/dbraw/zinc/85/78/32/917857832.db2.gz HANWLDUDMXPMGN-OAHLLOKOSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+](CC(=O)N[C@]1(CO)CCC[N@H+](CCO)C1)C1CCC1 ZINC001484437429 917857848 /nfs/dbraw/zinc/85/78/48/917857848.db2.gz HANWLDUDMXPMGN-OAHLLOKOSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+](CC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1)C1CCC1 ZINC001484437429 917857862 /nfs/dbraw/zinc/85/78/62/917857862.db2.gz HANWLDUDMXPMGN-OAHLLOKOSA-N 2 1 299.415 -0.594 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001484581335 917885788 /nfs/dbraw/zinc/88/57/88/917885788.db2.gz ITTYFGBNHOPNNP-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP CO[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001484628245 917902495 /nfs/dbraw/zinc/90/24/95/917902495.db2.gz DQYYNKBZWFBREZ-CHWSQXEVSA-N 2 1 299.415 -0.020 20 0 CBADMP CO[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001484628245 917902516 /nfs/dbraw/zinc/90/25/16/917902516.db2.gz DQYYNKBZWFBREZ-CHWSQXEVSA-N 2 1 299.415 -0.020 20 0 CBADMP CO[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001484628246 917904920 /nfs/dbraw/zinc/90/49/20/917904920.db2.gz DQYYNKBZWFBREZ-OLZOCXBDSA-N 2 1 299.415 -0.020 20 0 CBADMP CO[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001484628246 917904932 /nfs/dbraw/zinc/90/49/32/917904932.db2.gz DQYYNKBZWFBREZ-OLZOCXBDSA-N 2 1 299.415 -0.020 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCCO)CCC2)C1 ZINC001484664026 917910783 /nfs/dbraw/zinc/91/07/83/917910783.db2.gz NSJUEGPQSGGLHW-ZDUSSCGKSA-N 2 1 299.415 -0.282 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCCO)CCC2)C1 ZINC001484664026 917910799 /nfs/dbraw/zinc/91/07/99/917910799.db2.gz NSJUEGPQSGGLHW-ZDUSSCGKSA-N 2 1 299.415 -0.282 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+]CCCO)CC2)C1 ZINC001484964538 917973399 /nfs/dbraw/zinc/97/33/99/917973399.db2.gz NIEKRDMZHYXYBZ-CYBMUJFWSA-N 2 1 299.415 -0.736 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC1CC(C[NH2+]CCCO)C1 ZINC001485105836 917999377 /nfs/dbraw/zinc/99/93/77/917999377.db2.gz ZVCPTCQAPFZZKN-UHFFFAOYSA-N 2 1 299.415 -0.425 20 0 CBADMP COCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485715518 918173547 /nfs/dbraw/zinc/17/35/47/918173547.db2.gz AQLWMNSVTXEQPF-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP COCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485715518 918173558 /nfs/dbraw/zinc/17/35/58/918173558.db2.gz AQLWMNSVTXEQPF-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001485739724 918176837 /nfs/dbraw/zinc/17/68/37/918176837.db2.gz YWTMZIZNDXMTND-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001485856920 918212271 /nfs/dbraw/zinc/21/22/71/918212271.db2.gz WAPVMJZQGKZGFW-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001485954936 918239562 /nfs/dbraw/zinc/23/95/62/918239562.db2.gz BIHIHTOILRBCPT-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC001485982700 918278151 /nfs/dbraw/zinc/27/81/51/918278151.db2.gz NPNJYBWSVVPMEL-OLZOCXBDSA-N 2 1 295.387 -0.919 20 0 CBADMP COCC[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486053285 918344562 /nfs/dbraw/zinc/34/45/62/918344562.db2.gz XUURCQGFTDLOKY-NEPJUHHUSA-N 2 1 273.377 -0.959 20 0 CBADMP CN(C[C@H](O)C[N@H+](C)CCF)C(=O)CC[NH+](C)C ZINC001486348220 918445268 /nfs/dbraw/zinc/44/52/68/918445268.db2.gz XOQCOXQUFIVWNI-LLVKDONJSA-N 2 1 263.357 -0.341 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)CC[NH+](C)C ZINC001486348220 918445279 /nfs/dbraw/zinc/44/52/79/918445279.db2.gz XOQCOXQUFIVWNI-LLVKDONJSA-N 2 1 263.357 -0.341 20 0 CBADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001486468011 918467452 /nfs/dbraw/zinc/46/74/52/918467452.db2.gz WYMUDROREFDOEU-UHFFFAOYSA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001486481618 918472799 /nfs/dbraw/zinc/47/27/99/918472799.db2.gz WBNUPGDLHGZXOV-UHFFFAOYSA-N 2 1 270.377 -0.608 20 0 CBADMP C[NH+](C)CC1(C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)CC1 ZINC001486513211 918479437 /nfs/dbraw/zinc/47/94/37/918479437.db2.gz GHZSRZIKRGPXTM-UHFFFAOYSA-N 2 1 294.399 -0.438 20 0 CBADMP C[NH+](C)CC1(C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)CC1 ZINC001486513211 918479445 /nfs/dbraw/zinc/47/94/45/918479445.db2.gz GHZSRZIKRGPXTM-UHFFFAOYSA-N 2 1 294.399 -0.438 20 0 CBADMP CN(C[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001488652679 918752069 /nfs/dbraw/zinc/75/20/69/918752069.db2.gz GTECKNIWQXSZTA-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001488652679 918752085 /nfs/dbraw/zinc/75/20/85/918752085.db2.gz GTECKNIWQXSZTA-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490234543 918869749 /nfs/dbraw/zinc/86/97/49/918869749.db2.gz ZGTCIKNXGOPMAA-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001490234543 918869769 /nfs/dbraw/zinc/86/97/69/918869769.db2.gz ZGTCIKNXGOPMAA-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001490234543 918869788 /nfs/dbraw/zinc/86/97/88/918869788.db2.gz ZGTCIKNXGOPMAA-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH+](C)[C@@H]1CCNC1=O ZINC001490270809 918881870 /nfs/dbraw/zinc/88/18/70/918881870.db2.gz JCUZOLDOAUHAJZ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NCCC[N@H+](C)[C@@H]1CCNC1=O ZINC001490270809 918881876 /nfs/dbraw/zinc/88/18/76/918881876.db2.gz JCUZOLDOAUHAJZ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NCCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001490270809 918881884 /nfs/dbraw/zinc/88/18/84/918881884.db2.gz JCUZOLDOAUHAJZ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001490279531 918881995 /nfs/dbraw/zinc/88/19/95/918881995.db2.gz IRXCDVLDSJAPRN-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCNC1=O ZINC001490279531 918881999 /nfs/dbraw/zinc/88/19/99/918881999.db2.gz IRXCDVLDSJAPRN-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC001490279531 918882009 /nfs/dbraw/zinc/88/20/09/918882009.db2.gz IRXCDVLDSJAPRN-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001490270476 918882400 /nfs/dbraw/zinc/88/24/00/918882400.db2.gz PVTZNALHPAQCEJ-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001490270476 918882409 /nfs/dbraw/zinc/88/24/09/918882409.db2.gz PVTZNALHPAQCEJ-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001490270476 918882415 /nfs/dbraw/zinc/88/24/15/918882415.db2.gz PVTZNALHPAQCEJ-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC ZINC001490358245 918897647 /nfs/dbraw/zinc/89/76/47/918897647.db2.gz WXCWTSSOKDJBHL-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)NC ZINC001490358245 918897663 /nfs/dbraw/zinc/89/76/63/918897663.db2.gz WXCWTSSOKDJBHL-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC ZINC001490358245 918897677 /nfs/dbraw/zinc/89/76/77/918897677.db2.gz WXCWTSSOKDJBHL-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001490394511 918901630 /nfs/dbraw/zinc/90/16/30/918901630.db2.gz XQGLHZWFOBCHIG-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCO)C1 ZINC001490570063 918942537 /nfs/dbraw/zinc/94/25/37/918942537.db2.gz PMMDKSPNCYYUBA-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001490570063 918942559 /nfs/dbraw/zinc/94/25/59/918942559.db2.gz PMMDKSPNCYYUBA-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001490570063 918942568 /nfs/dbraw/zinc/94/25/68/918942568.db2.gz PMMDKSPNCYYUBA-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCOCCO)C2)C1 ZINC001490576699 918944193 /nfs/dbraw/zinc/94/41/93/918944193.db2.gz BJKTUWJAQRQBCS-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCOCCO)C2)C1 ZINC001490576699 918944204 /nfs/dbraw/zinc/94/42/04/918944204.db2.gz BJKTUWJAQRQBCS-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)C1 ZINC001490576699 918944213 /nfs/dbraw/zinc/94/42/13/918944213.db2.gz BJKTUWJAQRQBCS-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)CC(N)=O)C1 ZINC001490775890 918970166 /nfs/dbraw/zinc/97/01/66/918970166.db2.gz JMXUUNNNAILJPX-CYBMUJFWSA-N 2 1 298.431 -0.016 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001490775890 918970176 /nfs/dbraw/zinc/97/01/76/918970176.db2.gz JMXUUNNNAILJPX-CYBMUJFWSA-N 2 1 298.431 -0.016 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001490775890 918970188 /nfs/dbraw/zinc/97/01/88/918970188.db2.gz JMXUUNNNAILJPX-CYBMUJFWSA-N 2 1 298.431 -0.016 20 0 CBADMP COCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001490917557 918991166 /nfs/dbraw/zinc/99/11/66/918991166.db2.gz WKVBAICFYFMSSM-IJLUTSLNSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001490939969 918992487 /nfs/dbraw/zinc/99/24/87/918992487.db2.gz CSUVULRIBLXLDR-DCAQKATOSA-N 2 1 270.377 -0.561 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001491073062 919024140 /nfs/dbraw/zinc/02/41/40/919024140.db2.gz DGINCWAWZSBZQK-TUAOUCFPSA-N 2 1 284.404 -0.171 20 0 CBADMP 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 919112665 /nfs/dbraw/zinc/11/26/65/919112665.db2.gz PFLJOHIYNKJBBE-FPYNETTCSA-N 2 1 294.399 -0.739 20 0 CBADMP 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 919112963 /nfs/dbraw/zinc/11/29/63/919112963.db2.gz PFLJOHIYNKJBBE-OBPIAQAESA-N 2 1 294.399 -0.739 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CCNC(=O)C1CC1 ZINC001491415868 919148220 /nfs/dbraw/zinc/14/82/20/919148220.db2.gz UWNZWCNDDJURHM-YPMHNXCESA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC ZINC001491474595 919179024 /nfs/dbraw/zinc/17/90/24/919179024.db2.gz VLTXPCNSRLEIAP-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC ZINC001491474599 919179374 /nfs/dbraw/zinc/17/93/74/919179374.db2.gz VLTXPCNSRLEIAP-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001491529406 919194621 /nfs/dbraw/zinc/19/46/21/919194621.db2.gz RASAPUWAPBSXFD-MWLCHTKSSA-N 2 1 279.344 -0.826 20 0 CBADMP C[C@@H]([NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001491570200 919210627 /nfs/dbraw/zinc/21/06/27/919210627.db2.gz YZTYCOBKOOHPMZ-VHSXEESVSA-N 2 1 283.380 -0.683 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1nnnn1C ZINC001491570198 919211134 /nfs/dbraw/zinc/21/11/34/919211134.db2.gz YZTYCOBKOOHPMZ-NXEZZACHSA-N 2 1 283.380 -0.683 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CCCO ZINC001491580962 919214810 /nfs/dbraw/zinc/21/48/10/919214810.db2.gz YBDUGJXLOVHMRL-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001491630074 919239588 /nfs/dbraw/zinc/23/95/88/919239588.db2.gz DSEMYEMTURVJFL-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccn(C)n1 ZINC001491674797 919250037 /nfs/dbraw/zinc/25/00/37/919250037.db2.gz WJEPSCDRSRMDJP-VXGBXAGGSA-N 2 1 279.388 -0.034 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccn(C)n1 ZINC001491674794 919250935 /nfs/dbraw/zinc/25/09/35/919250935.db2.gz WJEPSCDRSRMDJP-NEPJUHHUSA-N 2 1 279.388 -0.034 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC001491684567 919251059 /nfs/dbraw/zinc/25/10/59/919251059.db2.gz WOCUVFKYZPVXLV-RYUDHWBXSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001491672796 919252972 /nfs/dbraw/zinc/25/29/72/919252972.db2.gz JCKDACJDAOHRQJ-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001491773565 919270915 /nfs/dbraw/zinc/27/09/15/919270915.db2.gz VUWVGZVJFCABPF-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001491773565 919270924 /nfs/dbraw/zinc/27/09/24/919270924.db2.gz VUWVGZVJFCABPF-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001491858984 919292360 /nfs/dbraw/zinc/29/23/60/919292360.db2.gz NPOSGBHEBYCWEB-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001491856340 919292464 /nfs/dbraw/zinc/29/24/64/919292464.db2.gz LTGUZAVCIGVFAM-PWSUYJOCSA-N 2 1 293.371 -0.497 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)[C@H]2CCCNC2=O)C1 ZINC001492422982 919411680 /nfs/dbraw/zinc/41/16/80/919411680.db2.gz KODRYINYOYNGAS-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)[C@H]2CCCNC2=O)C1 ZINC001492422982 919411685 /nfs/dbraw/zinc/41/16/85/919411685.db2.gz KODRYINYOYNGAS-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001492422982 919411695 /nfs/dbraw/zinc/41/16/95/919411695.db2.gz KODRYINYOYNGAS-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)[C@H]2CCCNC2=O)C1 ZINC001492422982 919411703 /nfs/dbraw/zinc/41/17/03/919411703.db2.gz KODRYINYOYNGAS-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001492818030 919430982 /nfs/dbraw/zinc/43/09/82/919430982.db2.gz YKGCIZUZYUTWNL-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001492818030 919430990 /nfs/dbraw/zinc/43/09/90/919430990.db2.gz YKGCIZUZYUTWNL-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001492818030 919430995 /nfs/dbraw/zinc/43/09/95/919430995.db2.gz YKGCIZUZYUTWNL-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001492818030 919430999 /nfs/dbraw/zinc/43/09/99/919430999.db2.gz YKGCIZUZYUTWNL-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCn1cncn1 ZINC001492853292 919440431 /nfs/dbraw/zinc/44/04/31/919440431.db2.gz DIKCQOYDKNVGSN-LBPRGKRZSA-N 2 1 280.376 -0.722 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CCn1cncn1 ZINC001492853292 919440444 /nfs/dbraw/zinc/44/04/44/919440444.db2.gz DIKCQOYDKNVGSN-LBPRGKRZSA-N 2 1 280.376 -0.722 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCn1cncn1 ZINC001492853292 919440455 /nfs/dbraw/zinc/44/04/55/919440455.db2.gz DIKCQOYDKNVGSN-LBPRGKRZSA-N 2 1 280.376 -0.722 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NC1CC1 ZINC001493058761 919475846 /nfs/dbraw/zinc/47/58/46/919475846.db2.gz PZJZGDLWEXNZJO-UHFFFAOYSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NC1CC1 ZINC001493058761 919475851 /nfs/dbraw/zinc/47/58/51/919475851.db2.gz PZJZGDLWEXNZJO-UHFFFAOYSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001493252662 919507569 /nfs/dbraw/zinc/50/75/69/919507569.db2.gz OJEYWPWFUHSHKO-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001493252666 919508487 /nfs/dbraw/zinc/50/84/87/919508487.db2.gz OJEYWPWFUHSHKO-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493232150 919509971 /nfs/dbraw/zinc/50/99/71/919509971.db2.gz BYBWDQVMFFTHTB-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001493254699 919514332 /nfs/dbraw/zinc/51/43/32/919514332.db2.gz JFCWZHXKPIZVIG-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@H](O)C[N@@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001493408097 919539293 /nfs/dbraw/zinc/53/92/93/919539293.db2.gz VUTLBIPWPXSIID-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP CN(CC[NH2+]C[C@@H]1CCCOC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001493508617 919566486 /nfs/dbraw/zinc/56/64/86/919566486.db2.gz PYPASYLSVRVRHY-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CC[NH2+]C[C@@H]1CCCOC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001493508617 919566493 /nfs/dbraw/zinc/56/64/93/919566493.db2.gz PYPASYLSVRVRHY-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001493725845 919613588 /nfs/dbraw/zinc/61/35/88/919613588.db2.gz NSKCITFRCUMIJB-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001493754210 919617214 /nfs/dbraw/zinc/61/72/14/919617214.db2.gz ZNDIDZKQFGWAAT-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001493762109 919618071 /nfs/dbraw/zinc/61/80/71/919618071.db2.gz QAUYOPVAFSRHIB-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC(N)=O ZINC001493806722 919624003 /nfs/dbraw/zinc/62/40/03/919624003.db2.gz OACDTCXMAXMYLV-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC(N)=O ZINC001493806720 919624251 /nfs/dbraw/zinc/62/42/51/919624251.db2.gz OACDTCXMAXMYLV-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CC(C)[C@H](C(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001494048077 919651726 /nfs/dbraw/zinc/65/17/26/919651726.db2.gz MTDHLKBFSDLACI-GXTWGEPZSA-N 2 1 298.431 -0.114 20 0 CBADMP COCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001494122784 919657701 /nfs/dbraw/zinc/65/77/01/919657701.db2.gz RADQBHXAIWLRGU-ZIAGYGMSSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001494122784 919657709 /nfs/dbraw/zinc/65/77/09/919657709.db2.gz RADQBHXAIWLRGU-ZIAGYGMSSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001494122784 919657715 /nfs/dbraw/zinc/65/77/15/919657715.db2.gz RADQBHXAIWLRGU-ZIAGYGMSSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001494122784 919657722 /nfs/dbraw/zinc/65/77/22/919657722.db2.gz RADQBHXAIWLRGU-ZIAGYGMSSA-N 2 1 299.415 -0.256 20 0 CBADMP C[N@@H+](CCO)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001494170952 919665911 /nfs/dbraw/zinc/66/59/11/919665911.db2.gz GEXGBJNJNGXGIL-ZDUSSCGKSA-N 2 1 281.400 -0.145 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@H](C)C(N)=O)C1 ZINC001494170573 919666762 /nfs/dbraw/zinc/66/67/62/919666762.db2.gz DHELAZUIGQZYGK-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)C(N)=O)C1 ZINC001494170573 919666769 /nfs/dbraw/zinc/66/67/69/919666769.db2.gz DHELAZUIGQZYGK-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001494170573 919666778 /nfs/dbraw/zinc/66/67/78/919666778.db2.gz DHELAZUIGQZYGK-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CCOCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001494534385 919723203 /nfs/dbraw/zinc/72/32/03/919723203.db2.gz MYOAGPRWXGBSRX-ZDUSSCGKSA-N 2 1 285.388 -0.599 20 0 CBADMP CCOCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001494534385 919723209 /nfs/dbraw/zinc/72/32/09/919723209.db2.gz MYOAGPRWXGBSRX-ZDUSSCGKSA-N 2 1 285.388 -0.599 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001494722470 919779059 /nfs/dbraw/zinc/77/90/59/919779059.db2.gz NJJUQDHDBVWMQT-QWRGUYRKSA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001494722470 919779070 /nfs/dbraw/zinc/77/90/70/919779070.db2.gz NJJUQDHDBVWMQT-QWRGUYRKSA-N 2 1 268.361 -0.983 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CCO ZINC001495037040 919848661 /nfs/dbraw/zinc/84/86/61/919848661.db2.gz KZAXCZMUBXAEOI-RYUDHWBXSA-N 2 1 257.378 -0.053 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001495234927 919878697 /nfs/dbraw/zinc/87/86/97/919878697.db2.gz QYBIPGRGSWRSBJ-SMDDNHRTSA-N 2 1 282.388 -0.560 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001495817516 919951595 /nfs/dbraw/zinc/95/15/95/919951595.db2.gz ZPOUTEYBKXESCT-LBPRGKRZSA-N 2 1 296.419 -0.003 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001495813585 919953322 /nfs/dbraw/zinc/95/33/22/919953322.db2.gz NLVZTAABGNWHCW-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1 ZINC001495953433 919991633 /nfs/dbraw/zinc/99/16/33/919991633.db2.gz AYZNACRAGNOYHD-GFCCVEGCSA-N 2 1 296.415 -0.168 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001496055422 920020008 /nfs/dbraw/zinc/02/00/08/920020008.db2.gz LRGQXZGJZNCQDF-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[NH2+]C[C@@H](O)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001497053584 920230786 /nfs/dbraw/zinc/23/07/86/920230786.db2.gz JSUYFTGXEFTECM-LLVKDONJSA-N 2 1 296.371 -0.029 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001497119341 920254039 /nfs/dbraw/zinc/25/40/39/920254039.db2.gz UNGRJJSPZVAMKF-QWHCGFSZSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001497119341 920254053 /nfs/dbraw/zinc/25/40/53/920254053.db2.gz UNGRJJSPZVAMKF-QWHCGFSZSA-N 2 1 285.388 -0.816 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CC[NH2+][C@H](C)C(N)=O ZINC001497231782 920273692 /nfs/dbraw/zinc/27/36/92/920273692.db2.gz XDDKTSSMQCJGRY-GXSJLCMTSA-N 2 1 281.360 -0.450 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001497362798 920292818 /nfs/dbraw/zinc/29/28/18/920292818.db2.gz VBGFSZBKDKSEHU-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CCN(CC[NH2+]CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001497485463 920312450 /nfs/dbraw/zinc/31/24/50/920312450.db2.gz CWRZJEZVNVNQBN-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP C[C@H](O)CCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001497552836 920334812 /nfs/dbraw/zinc/33/48/12/920334812.db2.gz SJTQLINHYLMBOD-NMEQGOOXSA-N 2 1 299.415 -0.260 20 0 CBADMP C[C@H](O)CCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001497552836 920334822 /nfs/dbraw/zinc/33/48/22/920334822.db2.gz SJTQLINHYLMBOD-NMEQGOOXSA-N 2 1 299.415 -0.260 20 0 CBADMP CNC(=O)C[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001497600588 920350919 /nfs/dbraw/zinc/35/09/19/920350919.db2.gz KNKBVKXIWOVAAY-OOPCZODUSA-N 2 1 296.415 -0.131 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001497651653 920362909 /nfs/dbraw/zinc/36/29/09/920362909.db2.gz XRILXXVNWKLTCD-KBIXYVOKSA-N 2 1 282.388 -0.523 20 0 CBADMP CC[C@H]([NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001497729709 920378238 /nfs/dbraw/zinc/37/82/38/920378238.db2.gz HVDJULYCJVBXAJ-AIMRDXAKSA-N 2 1 296.415 -0.146 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001498051066 920461931 /nfs/dbraw/zinc/46/19/31/920461931.db2.gz MIRJODGGMWBGGT-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001498169189 920510021 /nfs/dbraw/zinc/51/00/21/920510021.db2.gz YHSLJESTCCNOCZ-QWRGUYRKSA-N 2 1 272.393 -0.443 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H]1CCNC1=O ZINC001498433628 920585758 /nfs/dbraw/zinc/58/57/58/920585758.db2.gz IRSOMIMAPUENBV-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H]1CCNC1=O ZINC001498433628 920585767 /nfs/dbraw/zinc/58/57/67/920585767.db2.gz IRSOMIMAPUENBV-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001498433628 920585774 /nfs/dbraw/zinc/58/57/74/920585774.db2.gz IRSOMIMAPUENBV-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001498433628 920585782 /nfs/dbraw/zinc/58/57/82/920585782.db2.gz IRSOMIMAPUENBV-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001498449931 920590048 /nfs/dbraw/zinc/59/00/48/920590048.db2.gz IWYXMAMHXLKUAR-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001498449931 920590060 /nfs/dbraw/zinc/59/00/60/920590060.db2.gz IWYXMAMHXLKUAR-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498449931 920590071 /nfs/dbraw/zinc/59/00/71/920590071.db2.gz IWYXMAMHXLKUAR-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001498449931 920590078 /nfs/dbraw/zinc/59/00/78/920590078.db2.gz IWYXMAMHXLKUAR-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)CCc1cnc[nH]1 ZINC001498558165 920608370 /nfs/dbraw/zinc/60/83/70/920608370.db2.gz CPBMTZVYIYTCJI-NSHDSACASA-N 2 1 295.387 -0.085 20 0 CBADMP C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001498549806 920608811 /nfs/dbraw/zinc/60/88/11/920608811.db2.gz JSOPGEJOLPVFFO-QJPTWQEYSA-N 2 1 284.404 -0.362 20 0 CBADMP C[NH+]1CCC(CC(=O)NC[C@H]2CC[N@H+]2CCO)CC1 ZINC001499073857 920692939 /nfs/dbraw/zinc/69/29/39/920692939.db2.gz INQVGGMLTBBDFN-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001499352052 920739407 /nfs/dbraw/zinc/73/94/07/920739407.db2.gz IZFDINMDWNKYDW-NEPJUHHUSA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@@H+](CC(=O)NCC1([NH2+]CC(N)=O)CC1)CC(C)(C)C ZINC001499351513 920739903 /nfs/dbraw/zinc/73/99/03/920739903.db2.gz CEHYBZFJSABNLX-UHFFFAOYSA-N 2 1 284.404 -0.312 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001499352057 920740226 /nfs/dbraw/zinc/74/02/26/920740226.db2.gz IZFDINMDWNKYDW-VXGBXAGGSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001499448933 920748034 /nfs/dbraw/zinc/74/80/34/920748034.db2.gz XMAZICCKNPBRJD-WDEREUQCSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001499454939 920748120 /nfs/dbraw/zinc/74/81/20/920748120.db2.gz BJKYINRDYSSJBF-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001499454939 920748130 /nfs/dbraw/zinc/74/81/30/920748130.db2.gz BJKYINRDYSSJBF-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001499448868 920749681 /nfs/dbraw/zinc/74/96/81/920749681.db2.gz VTVMJBVAEHWZES-UWVGGRQHSA-N 2 1 268.361 -0.950 20 0 CBADMP CCCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001499448013 920750330 /nfs/dbraw/zinc/75/03/30/920750330.db2.gz CXGPFVPXPGWITL-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001499619338 920756539 /nfs/dbraw/zinc/75/65/39/920756539.db2.gz LDEPYNLRYTZESE-HNNXBMFYSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001499619338 920756550 /nfs/dbraw/zinc/75/65/50/920756550.db2.gz LDEPYNLRYTZESE-HNNXBMFYSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001499619338 920756565 /nfs/dbraw/zinc/75/65/65/920756565.db2.gz LDEPYNLRYTZESE-HNNXBMFYSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001499926457 920784106 /nfs/dbraw/zinc/78/41/06/920784106.db2.gz JLTKOYGKSOOYRQ-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001500259053 920822529 /nfs/dbraw/zinc/82/25/29/920822529.db2.gz ZMZGJQPUVJFCCJ-SWLSCSKDSA-N 2 1 296.415 -0.203 20 0 CBADMP O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)C12CC[NH+](CC1)C2 ZINC001500750313 920875530 /nfs/dbraw/zinc/87/55/30/920875530.db2.gz BFEHUNXJWGIGDA-HNNXBMFYSA-N 2 1 297.399 -0.982 20 0 CBADMP CCOCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001500763242 920880039 /nfs/dbraw/zinc/88/00/39/920880039.db2.gz UCAIOBQLRONHEG-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP CCOCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001500763242 920880054 /nfs/dbraw/zinc/88/00/54/920880054.db2.gz UCAIOBQLRONHEG-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP CCOCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500763242 920880074 /nfs/dbraw/zinc/88/00/74/920880074.db2.gz UCAIOBQLRONHEG-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP CCC[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001500965155 920930400 /nfs/dbraw/zinc/93/04/00/920930400.db2.gz GHZACLZACGYFKU-UHFFFAOYSA-N 2 1 267.373 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001501084378 920946538 /nfs/dbraw/zinc/94/65/38/920946538.db2.gz UTIZQMUUFGZJMA-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(CCO)CC[NH2+]CCF)C1 ZINC001501492700 921029488 /nfs/dbraw/zinc/02/94/88/921029488.db2.gz JMXUNZXDYUTHRO-LBPRGKRZSA-N 2 1 275.368 -0.292 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCCO)C2)C1 ZINC001501551428 921037833 /nfs/dbraw/zinc/03/78/33/921037833.db2.gz BKJGWNLNMSPBIB-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCCO)C2)C1 ZINC001501551428 921037839 /nfs/dbraw/zinc/03/78/39/921037839.db2.gz BKJGWNLNMSPBIB-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001507329476 921812986 /nfs/dbraw/zinc/81/29/86/921812986.db2.gz VJRIBPMYMHBIAI-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001507601782 921877258 /nfs/dbraw/zinc/87/72/58/921877258.db2.gz BFCMICIYYYQLHD-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001507601782 921877267 /nfs/dbraw/zinc/87/72/67/921877267.db2.gz BFCMICIYYYQLHD-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001507601782 921877273 /nfs/dbraw/zinc/87/72/73/921877273.db2.gz BFCMICIYYYQLHD-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001507601782 921877286 /nfs/dbraw/zinc/87/72/86/921877286.db2.gz BFCMICIYYYQLHD-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP CC(C)N(CC[N@H+](C)[C@H](C)C(N)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001507862870 921901501 /nfs/dbraw/zinc/90/15/01/921901501.db2.gz MCYXVZFSNVRIBZ-CHWSQXEVSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)N(CC[N@@H+](C)[C@H](C)C(N)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001507862870 921901513 /nfs/dbraw/zinc/90/15/13/921901513.db2.gz MCYXVZFSNVRIBZ-CHWSQXEVSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)N(CC[NH+](C)[C@H](C)C(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507862870 921901527 /nfs/dbraw/zinc/90/15/27/921901527.db2.gz MCYXVZFSNVRIBZ-CHWSQXEVSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)N(CC[NH+](C)[C@H](C)C(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507862870 921901539 /nfs/dbraw/zinc/90/15/39/921901539.db2.gz MCYXVZFSNVRIBZ-CHWSQXEVSA-N 2 1 298.431 -0.019 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001514838205 922222075 /nfs/dbraw/zinc/22/20/75/922222075.db2.gz HWXSZYYCIYKNKY-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001515318443 922230940 /nfs/dbraw/zinc/23/09/40/922230940.db2.gz LSZNZNBAMPLOTM-QJPTWQEYSA-N 2 1 255.362 -0.219 20 0 CBADMP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001515319696 922233187 /nfs/dbraw/zinc/23/31/87/922233187.db2.gz XLVFXGKPVHQWRV-FDYHWXHSSA-N 2 1 267.373 -0.219 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(c2nccnc2C[NH3+])[C@@H](C)C1 ZINC001515658624 922240917 /nfs/dbraw/zinc/24/09/17/922240917.db2.gz JMWKTCBXPNGELL-WDEREUQCSA-N 2 1 265.361 -0.173 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C)C[NH+](C)C ZINC001520191656 922301607 /nfs/dbraw/zinc/30/16/07/922301607.db2.gz NMRKBDJNNXAMRH-JHJVBQTASA-N 2 1 268.405 -0.311 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C)[NH+](C)C ZINC001520328816 922304172 /nfs/dbraw/zinc/30/41/72/922304172.db2.gz KSPCGETVXBFBMQ-FRRDWIJNSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC12CC[NH+](CC1)C2 ZINC001520374335 922308001 /nfs/dbraw/zinc/30/80/01/922308001.db2.gz TULNLCYHXURNQA-VXGBXAGGSA-N 2 1 264.373 -0.661 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC12CC[NH+](CC1)C2 ZINC001520374332 922309270 /nfs/dbraw/zinc/30/92/70/922309270.db2.gz TULNLCYHXURNQA-NEPJUHHUSA-N 2 1 264.373 -0.661 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC[NH+](C)C ZINC001520729533 922317441 /nfs/dbraw/zinc/31/74/41/922317441.db2.gz SEEZPULOUWBGOU-VXGBXAGGSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)CC[N@H+]1C ZINC001520694931 922318395 /nfs/dbraw/zinc/31/83/95/922318395.db2.gz LNVDCQCCKLVTMP-UMSGYPCISA-N 2 1 266.389 -0.417 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC[NH+]1C ZINC001520694931 922318411 /nfs/dbraw/zinc/31/84/11/922318411.db2.gz LNVDCQCCKLVTMP-UMSGYPCISA-N 2 1 266.389 -0.417 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC[NH+]1C ZINC001520694931 922318426 /nfs/dbraw/zinc/31/84/26/922318426.db2.gz LNVDCQCCKLVTMP-UMSGYPCISA-N 2 1 266.389 -0.417 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1CC[NH2+]CC1 ZINC001521144922 922332032 /nfs/dbraw/zinc/33/20/32/922332032.db2.gz HFRNCQBXYKSRCC-PWSUYJOCSA-N 2 1 252.362 -0.757 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001521158353 922335624 /nfs/dbraw/zinc/33/56/24/922335624.db2.gz LQPDOOMFNFLBLQ-TUAOUCFPSA-N 2 1 254.378 -0.526 20 0 CBADMP C[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](O)C[NH2+]1 ZINC001521438170 922355635 /nfs/dbraw/zinc/35/56/35/922355635.db2.gz BPWDAJHVSUJABR-HKUMRIAESA-N 2 1 267.373 -0.158 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001521470915 922355827 /nfs/dbraw/zinc/35/58/27/922355827.db2.gz VKHNFPOHMVQXQZ-ZBOXLXRLSA-N 2 1 257.378 -0.067 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001521504428 922360023 /nfs/dbraw/zinc/36/00/23/922360023.db2.gz SHZBLTTVVBZXHF-UMSGYPCISA-N 2 1 266.389 -0.511 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001521526670 922367415 /nfs/dbraw/zinc/36/74/15/922367415.db2.gz FTVKEDYBMCTYML-TUAOUCFPSA-N 2 1 252.362 -0.676 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N3CCC[C@@H]3C[NH3+])cc2C[NH2+]1 ZINC001522494005 922427951 /nfs/dbraw/zinc/42/79/51/922427951.db2.gz CBOVADXLKBCHGW-NXEZZACHSA-N 2 1 263.345 -0.062 20 0 CBADMP C[NH+](C)CCC(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001522763099 922515989 /nfs/dbraw/zinc/51/59/89/922515989.db2.gz KLVSIGURWPQUKT-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[C@H](C(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001522765413 922517168 /nfs/dbraw/zinc/51/71/68/922517168.db2.gz TWMCCMGJXKFTQJ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)NCCCCC[NH+]1CCNCC1 ZINC001522933422 922547204 /nfs/dbraw/zinc/54/72/04/922547204.db2.gz ZKDSNMJNHZKNNN-CYBMUJFWSA-N 2 1 286.420 -0.458 20 0 CBADMP CC1(C)C[NH2+]C[C@H]1NC(=O)C[NH+]1CCC(CO)CC1 ZINC001523434975 922593212 /nfs/dbraw/zinc/59/32/12/922593212.db2.gz UOYYXQULZOTWPL-GFCCVEGCSA-N 2 1 269.389 -0.195 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])C[C@]2(C)C1 ZINC001523448552 922594948 /nfs/dbraw/zinc/59/49/48/922594948.db2.gz OCGQOTXDTDVTHX-CZXHOFHRSA-N 2 1 267.373 -0.240 20 0 CBADMP CN1CCN(C(=O)C2([NH3+])CCC2)CC[N@H+](C)CC1 ZINC001523482325 922596504 /nfs/dbraw/zinc/59/65/04/922596504.db2.gz NXCRBTBHLILZIV-UHFFFAOYSA-N 2 1 254.378 -0.426 20 0 CBADMP CN1CCN(C(=O)C2([NH3+])CCC2)CC[N@@H+](C)CC1 ZINC001523482325 922596519 /nfs/dbraw/zinc/59/65/19/922596519.db2.gz NXCRBTBHLILZIV-UHFFFAOYSA-N 2 1 254.378 -0.426 20 0 CBADMP C[NH2+]C[C@@H](O)[C@H](C)C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001523475511 922597040 /nfs/dbraw/zinc/59/70/40/922597040.db2.gz XHJJUWQIGYWYDA-WCBMZHEXSA-N 2 1 267.333 -0.859 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001523475510 922598382 /nfs/dbraw/zinc/59/83/82/922598382.db2.gz XHJJUWQIGYWYDA-SCZZXKLOSA-N 2 1 267.333 -0.859 20 0 CBADMP C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001524028840 922613137 /nfs/dbraw/zinc/61/31/37/922613137.db2.gz FHGJDZLZKYKNIC-WCFLWFBJSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@@H]1C[N@@H+](C)CCN1C ZINC001524028327 922613483 /nfs/dbraw/zinc/61/34/83/922613483.db2.gz ARCIGYJBRAMBST-QWQWKMKNSA-N 2 1 266.389 -0.513 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)[C@H]1C[N@@H+](C)CCN1C ZINC001524029766 922613917 /nfs/dbraw/zinc/61/39/17/922613917.db2.gz SJNIMEAECGBJBG-KSSYENDESA-N 2 1 266.389 -0.655 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001524028541 922614827 /nfs/dbraw/zinc/61/48/27/922614827.db2.gz CFKFMTFTWWYTQB-SRVKXCTJSA-N 2 1 256.394 -0.408 20 0 CBADMP C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001524028838 922615230 /nfs/dbraw/zinc/61/52/30/922615230.db2.gz FHGJDZLZKYKNIC-UHTWSYAYSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)C[NH+]1CCCC1 ZINC001526450876 922709133 /nfs/dbraw/zinc/70/91/33/922709133.db2.gz ZOUMOEJNQDZANH-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001534141332 923141173 /nfs/dbraw/zinc/14/11/73/923141173.db2.gz NNJLFLPEFKZTOU-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C[C@H](O)C[NH3+])C[C@H](C)O1 ZINC001548551046 923377112 /nfs/dbraw/zinc/37/71/12/923377112.db2.gz LROXOPRXOHQXAO-CRWXNKLISA-N 2 1 299.415 -0.204 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC001548559271 923383721 /nfs/dbraw/zinc/38/37/21/923383721.db2.gz ULJXERRZJGZCLV-YUTCNCBUSA-N 2 1 292.383 -0.229 20 0 CBADMP C[NH2+]C1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC1 ZINC001548558706 923384651 /nfs/dbraw/zinc/38/46/51/923384651.db2.gz ZMUYHCFGGWTLOJ-LBPRGKRZSA-N 2 1 294.399 -0.449 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC001548561357 923387851 /nfs/dbraw/zinc/38/78/51/923387851.db2.gz LPOOSWMTJUOLCR-UBHSHLNASA-N 2 1 292.383 -0.229 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CCCCC1 ZINC001548625878 923412339 /nfs/dbraw/zinc/41/23/39/923412339.db2.gz RJDUICWMPUWRFQ-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548623848 923412496 /nfs/dbraw/zinc/41/24/96/923412496.db2.gz HMGZMQMAAZYAST-ZIAGYGMSSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001548645010 923428459 /nfs/dbraw/zinc/42/84/59/923428459.db2.gz WXZLFTWFTXQPKL-JSGCOSHPSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CC[NH+](C)C1CC1 ZINC001548687842 923448228 /nfs/dbraw/zinc/44/82/28/923448228.db2.gz OWZFYXFDPQTMJS-JSGCOSHPSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)N(C)CC[N@H+](C)C1CC1 ZINC001548687842 923448245 /nfs/dbraw/zinc/44/82/45/923448245.db2.gz OWZFYXFDPQTMJS-JSGCOSHPSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC001548687842 923448259 /nfs/dbraw/zinc/44/82/59/923448259.db2.gz OWZFYXFDPQTMJS-JSGCOSHPSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CC[NH+](C)C1CC1 ZINC001548687844 923450506 /nfs/dbraw/zinc/45/05/06/923450506.db2.gz OWZFYXFDPQTMJS-TZMCWYRMSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N(C)CC[N@H+](C)C1CC1 ZINC001548687844 923450510 /nfs/dbraw/zinc/45/05/10/923450510.db2.gz OWZFYXFDPQTMJS-TZMCWYRMSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC001548687844 923450516 /nfs/dbraw/zinc/45/05/16/923450516.db2.gz OWZFYXFDPQTMJS-TZMCWYRMSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CCCOCC1 ZINC001548689891 923455079 /nfs/dbraw/zinc/45/50/79/923455079.db2.gz IUWLKYYCRYPZMM-KGLIPLIRSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@@H+]1CCCOCC1 ZINC001548689891 923455087 /nfs/dbraw/zinc/45/50/87/923455087.db2.gz IUWLKYYCRYPZMM-KGLIPLIRSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@H+]1CCCOCC1 ZINC001548689891 923455103 /nfs/dbraw/zinc/45/51/03/923455103.db2.gz IUWLKYYCRYPZMM-KGLIPLIRSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC001548695908 923459601 /nfs/dbraw/zinc/45/96/01/923459601.db2.gz VTQYILQGQIJLIP-IGQOVBAYSA-N 2 1 278.400 -0.605 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001548695908 923459614 /nfs/dbraw/zinc/45/96/14/923459614.db2.gz VTQYILQGQIJLIP-IGQOVBAYSA-N 2 1 278.400 -0.605 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001548695908 923459624 /nfs/dbraw/zinc/45/96/24/923459624.db2.gz VTQYILQGQIJLIP-IGQOVBAYSA-N 2 1 278.400 -0.605 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC001548699346 923459686 /nfs/dbraw/zinc/45/96/86/923459686.db2.gz CCUOJHAZYRHCSV-OLZOCXBDSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001548699346 923459691 /nfs/dbraw/zinc/45/96/91/923459691.db2.gz CCUOJHAZYRHCSV-OLZOCXBDSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001548699346 923459700 /nfs/dbraw/zinc/45/97/00/923459700.db2.gz CCUOJHAZYRHCSV-OLZOCXBDSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@](O)(C[NH+](C)C)C2)C1 ZINC001548750070 923494487 /nfs/dbraw/zinc/49/44/87/923494487.db2.gz MJBNSMAQOHNSDD-JSGCOSHPSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1C[N@H+](CCN2C[C@H]([NH3+])[C@H](c3cnn(C)c3)C2)CCO1 ZINC001548960970 923519471 /nfs/dbraw/zinc/51/94/71/923519471.db2.gz UKKWOKDMADTKSC-SNPRPXQTSA-N 2 1 293.415 -0.133 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2C[C@H]([NH3+])[C@H](c3cnn(C)c3)C2)CCO1 ZINC001548960970 923519483 /nfs/dbraw/zinc/51/94/83/923519483.db2.gz UKKWOKDMADTKSC-SNPRPXQTSA-N 2 1 293.415 -0.133 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C1CC[NH2+]CC1 ZINC001549044458 923529840 /nfs/dbraw/zinc/52/98/40/923529840.db2.gz ZTULHECPJLSEHL-GFCCVEGCSA-N 2 1 277.372 -0.107 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001549046044 923538145 /nfs/dbraw/zinc/53/81/45/923538145.db2.gz AHINIMJHPCQCCL-AXFHLTTASA-N 2 1 268.361 -0.963 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001549045421 923538199 /nfs/dbraw/zinc/53/81/99/923538199.db2.gz XQXHKDMSDAEDCJ-IUCAKERBSA-N 2 1 287.314 -0.125 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001549045420 923538783 /nfs/dbraw/zinc/53/87/83/923538783.db2.gz XQXHKDMSDAEDCJ-DTWKUNHWSA-N 2 1 287.314 -0.125 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC001549046942 923544690 /nfs/dbraw/zinc/54/46/90/923544690.db2.gz DVUQSVYBIXHHMB-QMMMGPOBSA-N 2 1 297.384 -0.249 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])[C@@H](c2ccccc2F)C1 ZINC001549050060 923549560 /nfs/dbraw/zinc/54/95/60/923549560.db2.gz LOCUHGCTJPENOA-ADEWGFFLSA-N 2 1 294.330 -0.719 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC001549075276 923554536 /nfs/dbraw/zinc/55/45/36/923554536.db2.gz QVIIULXRWQXPLA-CQSZACIVSA-N 2 1 298.431 -0.410 20 0 CBADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC001549114831 923556389 /nfs/dbraw/zinc/55/63/89/923556389.db2.gz BYXMLPZBSQEZTE-DZGCQCFKSA-N 3 1 280.416 -0.131 20 0 CBADMP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](CCC(=O)N1CCNCC1)C2 ZINC001549114831 923556403 /nfs/dbraw/zinc/55/64/03/923556403.db2.gz BYXMLPZBSQEZTE-DZGCQCFKSA-N 2 1 280.416 -0.131 20 0 CBADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](CCC(=O)N1CCNCC1)C2 ZINC001549114831 923556421 /nfs/dbraw/zinc/55/64/21/923556421.db2.gz BYXMLPZBSQEZTE-DZGCQCFKSA-N 2 1 280.416 -0.131 20 0 CBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)[C@H]2C1 ZINC001549126039 923559262 /nfs/dbraw/zinc/55/92/62/923559262.db2.gz YYNUKXUYABSXMS-OSFYFWSMSA-N 2 1 295.383 -0.846 20 0 CBADMP C[C@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC001549212003 923570360 /nfs/dbraw/zinc/57/03/60/923570360.db2.gz RSYXYIGICJEEPZ-SDFYHXNISA-N 2 1 296.415 -0.165 20 0 CBADMP CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CC[N@@H+](C)C1 ZINC001549211092 923571597 /nfs/dbraw/zinc/57/15/97/923571597.db2.gz TYTYDBMYBDJQGU-NEPJUHHUSA-N 2 1 270.377 -0.290 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549740303 923639117 /nfs/dbraw/zinc/63/91/17/923639117.db2.gz NZCXPOCLDYCKSR-ZPFDUUQYSA-N 2 1 293.371 -0.950 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@H]3C[NH3+])CC[C@@H]21 ZINC001549883665 923643910 /nfs/dbraw/zinc/64/39/10/923643910.db2.gz VROGXJJOFUOARI-QNWHQSFQSA-N 2 1 267.373 -0.097 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[C@H](C[NH3+])C1(F)F ZINC001550059592 923658038 /nfs/dbraw/zinc/65/80/38/923658038.db2.gz DMCBFIAIKKDXMC-LPEHRKFASA-N 2 1 299.325 -0.267 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550088254 923672844 /nfs/dbraw/zinc/67/28/44/923672844.db2.gz QOBUYQHFRZFWSR-GFCCVEGCSA-N 2 1 289.343 -0.366 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)c3cn(CC[NH3+])nn3)CC[C@H]21 ZINC001550104399 923684774 /nfs/dbraw/zinc/68/47/74/923684774.db2.gz MQWVEHJGJPESJH-ZYHUDNBSSA-N 2 1 278.360 -0.597 20 0 CBADMP [NH3+]CC12CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)(C1)C2 ZINC001550118202 923689855 /nfs/dbraw/zinc/68/98/55/923689855.db2.gz PXRSHIFWEVDWFD-UJLSLHKQSA-N 2 1 265.357 -0.153 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H](C(=O)NC23CC(C[NH3+])(C2)C3)O1 ZINC001550117930 923690513 /nfs/dbraw/zinc/69/05/13/923690513.db2.gz LCUCGVHOSSGKHM-YSARLGLZSA-N 2 1 253.346 -0.297 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H](C(=O)NC23CC(C[NH3+])(C2)C3)O1 ZINC001550117930 923690525 /nfs/dbraw/zinc/69/05/25/923690525.db2.gz LCUCGVHOSSGKHM-YSARLGLZSA-N 2 1 253.346 -0.297 20 0 CBADMP N[C@H]1CN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C[C@H]1[NH3+] ZINC001550267344 923713255 /nfs/dbraw/zinc/71/32/55/923713255.db2.gz UUOCKGXCXSFESH-MJBXVCDLSA-N 2 1 289.383 -0.447 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550285970 923716921 /nfs/dbraw/zinc/71/69/21/923716921.db2.gz QKRLQWSCRWMDIW-ZLMOABSSSA-N 2 1 296.415 -0.119 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001550290428 923717142 /nfs/dbraw/zinc/71/71/42/923717142.db2.gz GCNOYBHECGXUTI-VYHDIPPYSA-N 2 1 296.415 -0.117 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@H]1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550285969 923718198 /nfs/dbraw/zinc/71/81/98/923718198.db2.gz QKRLQWSCRWMDIW-YUSLTOFOSA-N 2 1 296.415 -0.119 20 0 CBADMP O[C@@H]1C[C@@H]2CN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC[N@H+]2C1 ZINC001550701606 923737441 /nfs/dbraw/zinc/73/74/41/923737441.db2.gz GQTWUGJCSYCXMU-RBSFLKMASA-N 2 1 295.427 -0.104 20 0 CBADMP O[C@@H]1C[C@@H]2CN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC[N@H+]2C1 ZINC001550704391 923737629 /nfs/dbraw/zinc/73/76/29/923737629.db2.gz YRCDLDJUKWCDCM-KBXIAJHMSA-N 2 1 281.400 -0.494 20 0 CBADMP O[C@@H]1C[C@@H]2CN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC[N@H+]2C1 ZINC001550704390 923738061 /nfs/dbraw/zinc/73/80/61/923738061.db2.gz YRCDLDJUKWCDCM-KBUPBQIOSA-N 2 1 281.400 -0.494 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)NC[C@H]3C[NH2+]CCCO3)C[C@]2(C)C1 ZINC001550730193 923741498 /nfs/dbraw/zinc/74/14/98/923741498.db2.gz FQJMBGFZBRVKQD-NFAWXSAZSA-N 2 1 296.415 -0.042 20 0 CBADMP C[N@H+]1[C@H](CO)C[C@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)C[C@H]21 ZINC001550744581 923743893 /nfs/dbraw/zinc/74/38/93/923743893.db2.gz PHRUCBJVRAJDBB-GOIIMFGCSA-N 2 1 294.399 -0.555 20 0 CBADMP C[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001551396834 923772438 /nfs/dbraw/zinc/77/24/38/923772438.db2.gz SQSVCLNPOOCPGL-DYEKYZERSA-N 2 1 267.373 -0.035 20 0 CBADMP CNC(=O)[C@@]12C[N@@H+](C[C@H]3C[NH2+]C[C@H]3C)C[C@H]1COCC2 ZINC001551411271 923779700 /nfs/dbraw/zinc/77/97/00/923779700.db2.gz SDMHVJBUTVFFOJ-CXTNEJHOSA-N 2 1 281.400 -0.074 20 0 CBADMP CNC(=O)[C@@]12C[N@H+]([C@H]3CC[NH2+]C3)C[C@H]1COCC2 ZINC001551413617 923781031 /nfs/dbraw/zinc/78/10/31/923781031.db2.gz XLMBYBDCBVQKKN-GVXVVHGQSA-N 2 1 253.346 -0.567 20 0 CBADMP COCC[NH+]1CCN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)CC1 ZINC001551580014 923805992 /nfs/dbraw/zinc/80/59/92/923805992.db2.gz FGRMETVVVNFYCR-MBHSVXNSSA-N 2 1 282.388 -0.160 20 0 CBADMP C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551618852 923808129 /nfs/dbraw/zinc/80/81/29/923808129.db2.gz YWVKTNYICNILDW-BOEZANNTSA-N 2 1 296.415 -0.037 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)C[C@H]1C ZINC001551590973 923808707 /nfs/dbraw/zinc/80/87/07/923808707.db2.gz OCNIXVGSARQDPO-CZAVRGAYSA-N 2 1 296.415 -0.037 20 0 CBADMP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[N@H+]2CCC[C@H]2C1 ZINC001552177197 923845879 /nfs/dbraw/zinc/84/58/79/923845879.db2.gz CQBIQSWGRWSMLP-NEPJUHHUSA-N 2 1 290.371 -0.267 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC001552199743 923855123 /nfs/dbraw/zinc/85/51/23/923855123.db2.gz IDNBQBLXFKLWIK-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552199480 923855500 /nfs/dbraw/zinc/85/55/00/923855500.db2.gz GIDMZPVOWSSIGD-TZMCWYRMSA-N 2 1 267.373 -0.225 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552199746 923855506 /nfs/dbraw/zinc/85/55/06/923855506.db2.gz IFZQUBOIUHXKAZ-YWPYICTPSA-N 2 1 279.384 -0.177 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552200240 923856399 /nfs/dbraw/zinc/85/63/99/923856399.db2.gz NQSWFYUJVZRXGH-RGCMKSIDSA-N 2 1 279.384 -0.035 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552200989 923857852 /nfs/dbraw/zinc/85/78/52/923857852.db2.gz YPBFQYQNAMEOLA-NQBHXWOUSA-N 2 1 253.346 -0.567 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC[N@H+]1C ZINC001552201755 923858178 /nfs/dbraw/zinc/85/81/78/923858178.db2.gz WWNLOMZPAOWVRQ-BYNQJWBRSA-N 2 1 267.373 -0.179 20 0 CBADMP O=C(N1CC[N@@H+]2CCCC[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201333 923860169 /nfs/dbraw/zinc/86/01/69/923860169.db2.gz LIJSHZFWFIYWGR-NFAWXSAZSA-N 2 1 279.384 -0.081 20 0 CBADMP O=C(N1CC[N@H+]2CCCC[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201333 923860185 /nfs/dbraw/zinc/86/01/85/923860185.db2.gz LIJSHZFWFIYWGR-NFAWXSAZSA-N 2 1 279.384 -0.081 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552203188 923866194 /nfs/dbraw/zinc/86/61/94/923866194.db2.gz DMWFHZIMPYELQQ-UKRRQHHQSA-N 2 1 297.399 -0.597 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552216271 923867835 /nfs/dbraw/zinc/86/78/35/923867835.db2.gz NGDDFSPOMQOYFV-BZPMIXESSA-N 2 1 267.373 -0.177 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552218213 923871805 /nfs/dbraw/zinc/87/18/05/923871805.db2.gz MLJABGLQGOVIAW-DYEKYZERSA-N 2 1 267.373 -0.177 20 0 CBADMP N[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H]1[NH3+] ZINC001552282532 923879028 /nfs/dbraw/zinc/87/90/28/923879028.db2.gz LEJVJIWFGKDUHH-YVWQXTAVSA-N 2 1 266.389 -0.363 20 0 CBADMP C[C@@H]1CN(C(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)CC[N@H+](C2CC2)C1 ZINC001552294076 923885829 /nfs/dbraw/zinc/88/58/29/923885829.db2.gz XRKKLXHSUMDKAR-WCFLWFBJSA-N 2 1 281.404 -0.507 20 0 CBADMP C[C@@H]1CN(C(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)CC[N@@H+](C2CC2)C1 ZINC001552294076 923885837 /nfs/dbraw/zinc/88/58/37/923885837.db2.gz XRKKLXHSUMDKAR-WCFLWFBJSA-N 2 1 281.404 -0.507 20 0 CBADMP C[C@@H]1CN(C(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)CC[N@H+](C2CC2)C1 ZINC001552294076 923885847 /nfs/dbraw/zinc/88/58/47/923885847.db2.gz XRKKLXHSUMDKAR-WCFLWFBJSA-N 2 1 281.404 -0.507 20 0 CBADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1C[NH3+] ZINC001552414443 923895214 /nfs/dbraw/zinc/89/52/14/923895214.db2.gz ZTXMATJMTOEBOB-RWMBFGLXSA-N 3 1 269.389 -0.197 20 0 CBADMP CCO[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1C[NH3+] ZINC001552414443 923895221 /nfs/dbraw/zinc/89/52/21/923895221.db2.gz ZTXMATJMTOEBOB-RWMBFGLXSA-N 2 1 269.389 -0.197 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CCCC[NH2+]C1 ZINC001552422034 923898956 /nfs/dbraw/zinc/89/89/56/923898956.db2.gz XXIXTWDONFQJDJ-STQMWFEESA-N 2 1 268.405 -0.262 20 0 CBADMP CN(C(=O)c1cnnn1C1CC[NH2+]CC1)[C@H]1CC[N@@H+](C)C1 ZINC001552441008 923909559 /nfs/dbraw/zinc/90/95/59/923909559.db2.gz SHWATRRFAVEORT-LBPRGKRZSA-N 2 1 292.387 -0.021 20 0 CBADMP CN1CC[NH+]([C@H]2CCN(C(=O)NC[C@H]3CCC[NH2+]3)C2)CC1 ZINC001552954904 923926488 /nfs/dbraw/zinc/92/64/88/923926488.db2.gz NESXYRNPLZVIPM-KGLIPLIRSA-N 2 1 295.431 -0.230 20 0 CBADMP N[C@H]1CN(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C[C@H]1[NH3+] ZINC001552961820 923927194 /nfs/dbraw/zinc/92/71/94/923927194.db2.gz WCTOITUXDACUPQ-MELADBBJSA-N 2 1 295.431 -0.212 20 0 CBADMP N[C@H]1CN(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001552960433 923927281 /nfs/dbraw/zinc/92/72/81/923927281.db2.gz MTFHDVXUIWSXBO-MELADBBJSA-N 2 1 295.431 -0.212 20 0 CBADMP N[C@H]1CN(C(=O)N2CC[NH2+]CCC23CCC3)C[C@H]1[NH3+] ZINC001552959891 923927445 /nfs/dbraw/zinc/92/74/45/923927445.db2.gz HEAPASDRDITVQL-PHIMTYICSA-N 2 1 267.377 -0.705 20 0 CBADMP CN1CC[NH+]([C@H]2CCN(C(=O)NCC3([NH3+])CCC3)C2)CC1 ZINC001552954626 923927961 /nfs/dbraw/zinc/92/79/61/923927961.db2.gz XLJQHEWUQFSJBT-ZDUSSCGKSA-N 2 1 295.431 -0.101 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001552979473 923930932 /nfs/dbraw/zinc/93/09/32/923930932.db2.gz ZGKATOJSHMSWRI-CQSZACIVSA-N 2 1 298.431 -0.947 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001552979473 923930949 /nfs/dbraw/zinc/93/09/49/923930949.db2.gz ZGKATOJSHMSWRI-CQSZACIVSA-N 2 1 298.431 -0.947 20 0 CBADMP C1C[C@H]([NH2+][C@H]2CNCCOC2)[C@H](C2CC[NH2+]CC2)O1 ZINC001553025218 923936262 /nfs/dbraw/zinc/93/62/62/923936262.db2.gz XIHHPTQBJWRNFJ-IHRRRGAJSA-N 2 1 269.389 -0.279 20 0 CBADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001553301847 923946793 /nfs/dbraw/zinc/94/67/93/923946793.db2.gz LSDCGDZWRUUICB-MQYQWHSLSA-N 2 1 251.374 -0.094 20 0 CBADMP NC(=O)C12CC(C1)C[N@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001553304129 923947637 /nfs/dbraw/zinc/94/76/37/923947637.db2.gz ARUPDIDZYBKZFP-HJGSJEJJSA-N 2 1 265.357 -0.295 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC([NH3+])CC3)C[NH2+]C[C@H]2C1 ZINC001553345826 923949791 /nfs/dbraw/zinc/94/97/91/923949791.db2.gz XRTJHHHMSCMREV-FZMZJTMJSA-N 3 1 266.389 -0.523 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CCC([NH3+])CC3)C[NH2+]C[C@H]2C1 ZINC001553345826 923949802 /nfs/dbraw/zinc/94/98/02/923949802.db2.gz XRTJHHHMSCMREV-FZMZJTMJSA-N 3 1 266.389 -0.523 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)CC1 ZINC001553346241 923950139 /nfs/dbraw/zinc/95/01/39/923950139.db2.gz ZWFDUBBQNUJBMX-UKRRQHHQSA-N 2 1 294.399 -0.782 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)CC1 ZINC001553346241 923950146 /nfs/dbraw/zinc/95/01/46/923950146.db2.gz ZWFDUBBQNUJBMX-UKRRQHHQSA-N 2 1 294.399 -0.782 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)C1 ZINC001553354400 923955816 /nfs/dbraw/zinc/95/58/16/923955816.db2.gz QVONYKFGETVGHS-GZBFAFLISA-N 3 1 280.416 -0.404 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)C1 ZINC001553354400 923955825 /nfs/dbraw/zinc/95/58/25/923955825.db2.gz QVONYKFGETVGHS-GZBFAFLISA-N 3 1 280.416 -0.404 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC[C@H]3CCC[NH2+]3)C[NH2+]C[C@@H]2C1 ZINC001553355453 923958356 /nfs/dbraw/zinc/95/83/56/923958356.db2.gz YCVRNRAZPYZOJC-BZPMIXESSA-N 3 1 266.389 -0.604 20 0 CBADMP CN1CC[C@]2(C(=O)NC[C@H]3CCC[NH2+]3)C[NH2+]C[C@@H]2C1 ZINC001553355453 923958363 /nfs/dbraw/zinc/95/83/63/923958363.db2.gz YCVRNRAZPYZOJC-BZPMIXESSA-N 2 1 266.389 -0.604 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)CC[C@H]1[NH3+] ZINC001553356678 923959673 /nfs/dbraw/zinc/95/96/73/923959673.db2.gz UIENCOURYIXOON-BHPKHCPMSA-N 3 1 280.416 -0.277 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)CC[C@H]1[NH3+] ZINC001553356678 923959680 /nfs/dbraw/zinc/95/96/80/923959680.db2.gz UIENCOURYIXOON-BHPKHCPMSA-N 3 1 280.416 -0.277 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)C1 ZINC001553355976 923960690 /nfs/dbraw/zinc/96/06/90/923960690.db2.gz QLJGOHGIPDRWHR-GZBFAFLISA-N 3 1 280.416 -0.262 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)C1 ZINC001553355976 923960704 /nfs/dbraw/zinc/96/07/04/923960704.db2.gz QLJGOHGIPDRWHR-GZBFAFLISA-N 3 1 280.416 -0.262 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)CCO1 ZINC001553358647 923961276 /nfs/dbraw/zinc/96/12/76/923961276.db2.gz JDWZGFPIOVSXFQ-SFDCQRBFSA-N 3 1 296.415 -0.898 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)CCO1 ZINC001553358647 923961286 /nfs/dbraw/zinc/96/12/86/923961286.db2.gz JDWZGFPIOVSXFQ-SFDCQRBFSA-N 3 1 296.415 -0.898 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)C[C@H](C)[NH2+]1 ZINC001553358709 923961790 /nfs/dbraw/zinc/96/17/90/923961790.db2.gz PPVYSEVXDXVHBL-XFMPKHEZSA-N 3 1 280.416 -0.264 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)C[C@H](C)[NH2+]1 ZINC001553358709 923961810 /nfs/dbraw/zinc/96/18/10/923961810.db2.gz PPVYSEVXDXVHBL-XFMPKHEZSA-N 3 1 280.416 -0.264 20 0 CBADMP CC(C)NC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553371067 923965219 /nfs/dbraw/zinc/96/52/19/923965219.db2.gz BBVKNAWBWSIURY-SMDDNHRTSA-N 2 1 282.388 -0.832 20 0 CBADMP Cn1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)n1 ZINC001553377378 923967848 /nfs/dbraw/zinc/96/78/48/923967848.db2.gz GDMIMHDJLYWFOO-GXFFZTMASA-N 2 1 263.345 -0.100 20 0 CBADMP Cn1nccc1NC(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553381931 923968817 /nfs/dbraw/zinc/96/88/17/923968817.db2.gz CAGYDFQYBBSSCV-GWCFXTLKSA-N 2 1 263.345 -0.100 20 0 CBADMP COCCN(C)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553384504 923969652 /nfs/dbraw/zinc/96/96/52/923969652.db2.gz LVWPWKSEXCUKNN-AAEUAGOBSA-N 2 1 255.362 -0.368 20 0 CBADMP COCCN(C)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553384504 923969670 /nfs/dbraw/zinc/96/96/70/923969670.db2.gz LVWPWKSEXCUKNN-AAEUAGOBSA-N 2 1 255.362 -0.368 20 0 CBADMP Cn1nccc1CNC(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553402125 923970783 /nfs/dbraw/zinc/97/07/83/923970783.db2.gz MFOSEFHTEDJSDG-BXUZGUMPSA-N 2 1 277.372 -0.422 20 0 CBADMP Cn1cc(CCNC(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)cn1 ZINC001553403425 923974557 /nfs/dbraw/zinc/97/45/57/923974557.db2.gz YWABFGDGPGKTEP-UKRRQHHQSA-N 2 1 291.399 -0.380 20 0 CBADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553409571 923983395 /nfs/dbraw/zinc/98/33/95/923983395.db2.gz LZSAAZKXRBQSKQ-XDQVBPFNSA-N 2 1 297.399 -0.579 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553412500 923987344 /nfs/dbraw/zinc/98/73/44/923987344.db2.gz USBZTRRHLMRGME-FVCCEPFGSA-N 2 1 267.373 -0.036 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553412786 923987592 /nfs/dbraw/zinc/98/75/92/923987592.db2.gz OPHFLRHBZOOPJY-LPTSXCQYSA-N 2 1 265.357 -0.141 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553415054 923990795 /nfs/dbraw/zinc/99/07/95/923990795.db2.gz YBRCRKRIOSGWMN-IHRRRGAJSA-N 2 1 297.399 -0.314 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC[N@H+]1C ZINC001553429287 923996712 /nfs/dbraw/zinc/99/67/12/923996712.db2.gz JYVXALIUESVIDK-LDMBFOFVSA-N 2 1 253.346 -0.285 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C1 ZINC001553457006 924004839 /nfs/dbraw/zinc/00/48/39/924004839.db2.gz PNEGKGABTZQWKJ-LPWJVIDDSA-N 2 1 282.388 -0.447 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2CC[C@@]2([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC001553462441 924005212 /nfs/dbraw/zinc/00/52/12/924005212.db2.gz HELYDBWWJWGOAV-CIQGVGRVSA-N 2 1 282.388 -0.162 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2CC[C@@]2([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC001553462441 924005230 /nfs/dbraw/zinc/00/52/30/924005230.db2.gz HELYDBWWJWGOAV-CIQGVGRVSA-N 2 1 282.388 -0.162 20 0 CBADMP [NH3+]C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)C1CC1 ZINC001553494653 924010166 /nfs/dbraw/zinc/01/01/66/924010166.db2.gz CINZDDWPDGQSQR-MJBXVCDLSA-N 2 1 296.415 -0.036 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001553498337 924013601 /nfs/dbraw/zinc/01/36/01/924013601.db2.gz TXRVQEFKUGCGBD-JHJVBQTASA-N 2 1 284.404 -0.036 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001553499397 924014356 /nfs/dbraw/zinc/01/43/56/924014356.db2.gz BCHDGNFCFQNKSG-YNEHKIRRSA-N 2 1 284.404 -0.036 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553501571 924016462 /nfs/dbraw/zinc/01/64/62/924016462.db2.gz GFCYVPDNCSSOGX-MELADBBJSA-N 2 1 296.415 -0.021 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553518267 924023624 /nfs/dbraw/zinc/02/36/24/924023624.db2.gz QLAYVXQDLPMEKX-VIFPVBQESA-N 2 1 292.330 -0.270 20 0 CBADMP [NH3+]C1(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC001553541300 924029081 /nfs/dbraw/zinc/02/90/81/924029081.db2.gz XGKSFUHFPKYDGW-RYUDHWBXSA-N 2 1 282.388 -0.282 20 0 CBADMP CC(C)(C)[NH2+]CCC(=O)N1CC([NH2+]C2COC2)C1 ZINC001558611723 924187153 /nfs/dbraw/zinc/18/71/53/924187153.db2.gz LGQLLXUDRKFOEP-UHFFFAOYSA-N 2 1 255.362 -0.036 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC000174722225 230180234 /nfs/dbraw/zinc/18/02/34/230180234.db2.gz NUQITXHQACPVFF-GFCCVEGCSA-N 2 1 285.388 -0.456 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC000174722225 230180241 /nfs/dbraw/zinc/18/02/41/230180241.db2.gz NUQITXHQACPVFF-GFCCVEGCSA-N 2 1 285.388 -0.456 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422097836 282088964 /nfs/dbraw/zinc/08/89/64/282088964.db2.gz JEYHFGGPRFMETG-GFCCVEGCSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCOCCO)CC1 ZINC000337483912 214110962 /nfs/dbraw/zinc/11/09/62/214110962.db2.gz GJUONOBMJXIQJB-UHFFFAOYSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCOCCO)CC1 ZINC000337483912 214110963 /nfs/dbraw/zinc/11/09/63/214110963.db2.gz GJUONOBMJXIQJB-UHFFFAOYSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000337413046 282129343 /nfs/dbraw/zinc/12/93/43/282129343.db2.gz ODIBBGVFLHVPFS-YPMHNXCESA-N 2 1 272.393 -0.308 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]21 ZINC000125345536 187180812 /nfs/dbraw/zinc/18/08/12/187180812.db2.gz VFIKDHMYUKCGPI-FRRDWIJNSA-N 2 1 267.373 -0.096 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000337790325 214264090 /nfs/dbraw/zinc/26/40/90/214264090.db2.gz BWJTUDUTFXYRQV-KGLIPLIRSA-N 2 1 298.431 -0.364 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000337710179 282142554 /nfs/dbraw/zinc/14/25/54/282142554.db2.gz BEOHJOMJRVQVSE-BXUZGUMPSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000338105416 214399167 /nfs/dbraw/zinc/39/91/67/214399167.db2.gz PRBUBDDKVOLNOS-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000338105416 214399172 /nfs/dbraw/zinc/39/91/72/214399172.db2.gz PRBUBDDKVOLNOS-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000126079132 187215461 /nfs/dbraw/zinc/21/54/61/187215461.db2.gz REXUZERBUHNVNF-LBPRGKRZSA-N 2 1 270.377 -0.750 20 0 CBADMP C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000351482759 219100113 /nfs/dbraw/zinc/10/01/13/219100113.db2.gz BQGPOUQWUMBSKW-ZDUSSCGKSA-N 2 1 285.388 -0.768 20 0 CBADMP C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000351482759 219100115 /nfs/dbraw/zinc/10/01/15/219100115.db2.gz BQGPOUQWUMBSKW-ZDUSSCGKSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000351482759 219100116 /nfs/dbraw/zinc/10/01/16/219100116.db2.gz BQGPOUQWUMBSKW-ZDUSSCGKSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000351482759 219100119 /nfs/dbraw/zinc/10/01/19/219100119.db2.gz BQGPOUQWUMBSKW-ZDUSSCGKSA-N 2 1 285.388 -0.768 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351475555 219101510 /nfs/dbraw/zinc/10/15/10/219101510.db2.gz IVPIPIHRMRAMNQ-NNYUYHANSA-N 2 1 298.387 -0.484 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351475555 219101511 /nfs/dbraw/zinc/10/15/11/219101511.db2.gz IVPIPIHRMRAMNQ-NNYUYHANSA-N 2 1 298.387 -0.484 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000351530231 219116094 /nfs/dbraw/zinc/11/60/94/219116094.db2.gz ADDWCXGSCBHURI-RWMBFGLXSA-N 2 1 294.399 -0.402 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000376923889 529902383 /nfs/dbraw/zinc/90/23/83/529902383.db2.gz UUNBIXFFSBIGAF-CQSZACIVSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000376923889 529902384 /nfs/dbraw/zinc/90/23/84/529902384.db2.gz UUNBIXFFSBIGAF-CQSZACIVSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000376923889 529902385 /nfs/dbraw/zinc/90/23/85/529902385.db2.gz UUNBIXFFSBIGAF-CQSZACIVSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C)c1cc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc[nH+]1 ZINC000351537402 219118613 /nfs/dbraw/zinc/11/86/13/219118613.db2.gz JAARXCOLUJXLOG-NSHDSACASA-N 2 1 291.355 -0.046 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351541025 219121452 /nfs/dbraw/zinc/12/14/52/219121452.db2.gz PBYZKGLSQSIKKZ-MNOVXSKESA-N 2 1 268.361 -0.983 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351541025 219121448 /nfs/dbraw/zinc/12/14/48/219121448.db2.gz PBYZKGLSQSIKKZ-MNOVXSKESA-N 2 1 268.361 -0.983 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351541026 219120855 /nfs/dbraw/zinc/12/08/55/219120855.db2.gz PBYZKGLSQSIKKZ-QWRGUYRKSA-N 2 1 268.361 -0.983 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351541026 219120857 /nfs/dbraw/zinc/12/08/57/219120857.db2.gz PBYZKGLSQSIKKZ-QWRGUYRKSA-N 2 1 268.361 -0.983 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000351553046 219124252 /nfs/dbraw/zinc/12/42/52/219124252.db2.gz CVLNMGYXGAAUHU-AVGNSLFASA-N 2 1 294.399 -0.402 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000351556825 219126122 /nfs/dbraw/zinc/12/61/22/219126122.db2.gz HNAWCGKZSBPABA-UTUOFQBUSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351561547 219126838 /nfs/dbraw/zinc/12/68/38/219126838.db2.gz YYMLBDXWDKHBEI-WXHSDQCUSA-N 2 1 294.399 -0.547 20 0 CBADMP C[NH2+]CC(=O)N1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000376586101 529956150 /nfs/dbraw/zinc/95/61/50/529956150.db2.gz JNZOUKLMFXKEQT-STQMWFEESA-N 2 1 284.404 -0.931 20 0 CBADMP C[NH2+]CC(=O)N1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000376586101 529956151 /nfs/dbraw/zinc/95/61/51/529956151.db2.gz JNZOUKLMFXKEQT-STQMWFEESA-N 2 1 284.404 -0.931 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351569028 219130933 /nfs/dbraw/zinc/13/09/33/219130933.db2.gz NJRXRJWRYGYHOY-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000407955785 290085635 /nfs/dbraw/zinc/08/56/35/290085635.db2.gz IVRMHTAQTBAFMR-LBPRGKRZSA-N 2 1 258.362 -0.474 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000338236290 530066886 /nfs/dbraw/zinc/06/68/86/530066886.db2.gz MRXXVESZVHLEMA-GFCCVEGCSA-N 2 1 255.362 -0.393 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000338236290 530066887 /nfs/dbraw/zinc/06/68/87/530066887.db2.gz MRXXVESZVHLEMA-GFCCVEGCSA-N 2 1 255.362 -0.393 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@@]2(C)C(N)=O)CC1 ZINC000366981266 530066932 /nfs/dbraw/zinc/06/69/32/530066932.db2.gz JWRJVNIBPZIHHZ-HNNXBMFYSA-N 2 1 296.415 -0.120 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@]2(C)C(N)=O)CC1 ZINC000366981266 530066933 /nfs/dbraw/zinc/06/69/33/530066933.db2.gz JWRJVNIBPZIHHZ-HNNXBMFYSA-N 2 1 296.415 -0.120 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)CC1 ZINC000377659242 530067073 /nfs/dbraw/zinc/06/70/73/530067073.db2.gz ZREKQRFCVJPWIF-QWHCGFSZSA-N 2 1 294.399 -0.782 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]3C(=O)NC[C@H]3C2)CC1 ZINC000377659242 530067074 /nfs/dbraw/zinc/06/70/74/530067074.db2.gz ZREKQRFCVJPWIF-QWHCGFSZSA-N 2 1 294.399 -0.782 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)n1C ZINC000573688909 334958225 /nfs/dbraw/zinc/95/82/25/334958225.db2.gz XMGXRKHQQDRRHH-RNCFNFMXSA-N 2 1 263.345 -0.146 20 0 CBADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1(CO)CCOCC1 ZINC000351649912 219162254 /nfs/dbraw/zinc/16/22/54/219162254.db2.gz NLOJBPPUHTYBMK-ZDUSSCGKSA-N 2 1 272.389 -0.085 20 0 CBADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1(CO)CCOCC1 ZINC000351649912 219162255 /nfs/dbraw/zinc/16/22/55/219162255.db2.gz NLOJBPPUHTYBMK-ZDUSSCGKSA-N 2 1 272.389 -0.085 20 0 CBADMP C[NH+](C[C@H](O)C[N@H+](C)C1(CO)CCOCC1)C1CC1 ZINC000351649912 219162258 /nfs/dbraw/zinc/16/22/58/219162258.db2.gz NLOJBPPUHTYBMK-ZDUSSCGKSA-N 2 1 272.389 -0.085 20 0 CBADMP C[NH+](C[C@H](O)C[N@@H+](C)C1(CO)CCOCC1)C1CC1 ZINC000351649912 219162260 /nfs/dbraw/zinc/16/22/60/219162260.db2.gz NLOJBPPUHTYBMK-ZDUSSCGKSA-N 2 1 272.389 -0.085 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000351850573 219224822 /nfs/dbraw/zinc/22/48/22/219224822.db2.gz JCVXODYTWZOPCI-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000351850573 219224823 /nfs/dbraw/zinc/22/48/23/219224823.db2.gz JCVXODYTWZOPCI-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000351853184 219226868 /nfs/dbraw/zinc/22/68/68/219226868.db2.gz OERWMTWVSIMAIB-NEPJUHHUSA-N 2 1 255.362 -0.096 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000091300380 180127670 /nfs/dbraw/zinc/12/76/70/180127670.db2.gz WFNRVPCCBONVLC-DGCLKSJQSA-N 2 1 267.373 -0.035 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000092135649 180332786 /nfs/dbraw/zinc/33/27/86/180332786.db2.gz WUECPPSNZMAXAD-GFCCVEGCSA-N 2 1 256.394 -0.404 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000092495878 180397349 /nfs/dbraw/zinc/39/73/49/180397349.db2.gz DTQZATMBTQNPDQ-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000092495878 180397352 /nfs/dbraw/zinc/39/73/52/180397352.db2.gz DTQZATMBTQNPDQ-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[NH+](C[C@@H](O)C[N@H+](CC)C[C@@H](C)O)C[C@H](C)O ZINC000352222626 219369668 /nfs/dbraw/zinc/36/96/68/219369668.db2.gz RQYIHNBEICAKRD-ITGUQSILSA-N 2 1 262.394 -0.247 20 0 CBADMP CC[NH+](C[C@@H](O)C[N@@H+](CC)C[C@@H](C)O)C[C@H](C)O ZINC000352222626 219369672 /nfs/dbraw/zinc/36/96/72/219369672.db2.gz RQYIHNBEICAKRD-ITGUQSILSA-N 2 1 262.394 -0.247 20 0 CBADMP CC[NH+](C[C@@H](C)O)C[C@H](O)C[N@H+](CC)C[C@H](C)O ZINC000352222626 219369675 /nfs/dbraw/zinc/36/96/75/219369675.db2.gz RQYIHNBEICAKRD-ITGUQSILSA-N 2 1 262.394 -0.247 20 0 CBADMP CC[NH+](C[C@@H](C)O)C[C@H](O)C[N@@H+](CC)C[C@H](C)O ZINC000352222626 219369676 /nfs/dbraw/zinc/36/96/76/219369676.db2.gz RQYIHNBEICAKRD-ITGUQSILSA-N 2 1 262.394 -0.247 20 0 CBADMP CC[NH+](CC(O)C[N@H+](CC)C[C@H](C)O)C[C@H](C)O ZINC000352222627 219370516 /nfs/dbraw/zinc/37/05/16/219370516.db2.gz RQYIHNBEICAKRD-RYUDHWBXSA-N 2 1 262.394 -0.247 20 0 CBADMP CC[NH+](CC(O)C[N@@H+](CC)C[C@H](C)O)C[C@H](C)O ZINC000352222627 219370517 /nfs/dbraw/zinc/37/05/17/219370517.db2.gz RQYIHNBEICAKRD-RYUDHWBXSA-N 2 1 262.394 -0.247 20 0 CBADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000037020402 351396369 /nfs/dbraw/zinc/39/63/69/351396369.db2.gz PRPJOHPXMXINJE-GXFFZTMASA-N 2 1 284.404 -0.314 20 0 CBADMP CCN(CC)C(=O)C[N@H+]1CCCN(CC[NH3+])CC1 ZINC000037039720 351396885 /nfs/dbraw/zinc/39/68/85/351396885.db2.gz UGNXVAICCQONFG-UHFFFAOYSA-N 2 1 256.394 -0.179 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000037020404 351397216 /nfs/dbraw/zinc/39/72/16/351397216.db2.gz MYOQODMOCZVZOZ-LBPRGKRZSA-N 2 1 284.404 -0.314 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000037628833 351401332 /nfs/dbraw/zinc/40/13/32/351401332.db2.gz YITWCIJNTTYLMD-CHWSQXEVSA-N 2 1 290.367 -0.420 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000037628833 351401336 /nfs/dbraw/zinc/40/13/36/351401336.db2.gz YITWCIJNTTYLMD-CHWSQXEVSA-N 2 1 290.367 -0.420 20 0 CBADMP CN1CC[NH+](CCCNC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042171270 351427887 /nfs/dbraw/zinc/42/78/87/351427887.db2.gz QACWFBDFBVSNPY-CYBMUJFWSA-N 2 1 268.405 -0.118 20 0 CBADMP O=C(C[C@@H]1CCC[NH2+]1)NCCC[NH+]1CCOCC1 ZINC000042165953 351428139 /nfs/dbraw/zinc/42/81/39/351428139.db2.gz XUWRNHBTUKFXMJ-LBPRGKRZSA-N 2 1 255.362 -0.033 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000037826882 351408566 /nfs/dbraw/zinc/40/85/66/351408566.db2.gz LZZQPCNWVYVSIA-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000037826840 351409379 /nfs/dbraw/zinc/40/93/79/351409379.db2.gz YROXGBQYBBVXIN-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000040622294 351417176 /nfs/dbraw/zinc/41/71/76/351417176.db2.gz QHNBHHZJPQNCMB-LBPRGKRZSA-N 2 1 294.399 -0.096 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000040622294 351417180 /nfs/dbraw/zinc/41/71/80/351417180.db2.gz QHNBHHZJPQNCMB-LBPRGKRZSA-N 2 1 294.399 -0.096 20 0 CBADMP CN1CC[NH+](CCCNC(=O)CC[NH2+]C2CC2)CC1 ZINC000040808863 351418861 /nfs/dbraw/zinc/41/88/61/351418861.db2.gz ZKRMSOTYDRMLRF-UHFFFAOYSA-N 2 1 268.405 -0.118 20 0 CBADMP CC1CC[NH+](CCCNC(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000040833033 351420903 /nfs/dbraw/zinc/42/09/03/351420903.db2.gz HDPWVZWOSAFQAG-LLVKDONJSA-N 2 1 270.377 -0.573 20 0 CBADMP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298909 351526049 /nfs/dbraw/zinc/52/60/49/351526049.db2.gz ZIUUGTDGOHTEBA-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000053298640 351526217 /nfs/dbraw/zinc/52/62/17/351526217.db2.gz LMIQMLFRUIBPIA-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000053298637 351526304 /nfs/dbraw/zinc/52/63/04/351526304.db2.gz LMIQMLFRUIBPIA-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@H](C)C[NH3+])N1CC[NH+](C)CC1 ZINC000054343517 351534743 /nfs/dbraw/zinc/53/47/43/351534743.db2.gz BHKSPPHDOARNDU-OLZOCXBDSA-N 2 1 270.421 -0.031 20 0 CBADMP C[N@H+](CCc1cccnc1)CC(=O)N1CC[NH2+]CC1 ZINC000063223638 351581695 /nfs/dbraw/zinc/58/16/95/351581695.db2.gz VEANQLDIOGQHTL-UHFFFAOYSA-N 2 1 262.357 -0.012 20 0 CBADMP C[N@@H+](CCc1cccnc1)CC(=O)N1CC[NH2+]CC1 ZINC000063223638 351581700 /nfs/dbraw/zinc/58/17/00/351581700.db2.gz VEANQLDIOGQHTL-UHFFFAOYSA-N 2 1 262.357 -0.012 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180392 351581961 /nfs/dbraw/zinc/58/19/61/351581961.db2.gz SRHYEMINTYZBQQ-QWRGUYRKSA-N 2 1 282.388 -0.560 20 0 CBADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000067186541 351607017 /nfs/dbraw/zinc/60/70/17/351607017.db2.gz YOCQNZSTPNKJOV-UHFFFAOYSA-N 2 1 282.388 -0.096 20 0 CBADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000067186541 351607020 /nfs/dbraw/zinc/60/70/20/351607020.db2.gz YOCQNZSTPNKJOV-UHFFFAOYSA-N 2 1 282.388 -0.096 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174614 351635701 /nfs/dbraw/zinc/63/57/01/351635701.db2.gz YVUAMQCMEJMXFQ-ZJUUUORDSA-N 2 1 256.350 -0.109 20 0 CBADMP COCCOCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000070481631 351640276 /nfs/dbraw/zinc/64/02/76/351640276.db2.gz VMCLWQXLSGUHPM-GFCCVEGCSA-N 2 1 273.377 -0.564 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150754 351642851 /nfs/dbraw/zinc/64/28/51/351642851.db2.gz AZESZBMWLSPVJD-NSHDSACASA-N 2 1 285.392 -0.942 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150754 351642857 /nfs/dbraw/zinc/64/28/57/351642857.db2.gz AZESZBMWLSPVJD-NSHDSACASA-N 2 1 285.392 -0.942 20 0 CBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000068807466 351621756 /nfs/dbraw/zinc/62/17/56/351621756.db2.gz GQXHIRJALSLZBH-SRVKXCTJSA-N 2 1 256.394 -0.278 20 0 CBADMP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000068805676 351622273 /nfs/dbraw/zinc/62/22/73/351622273.db2.gz USHLHZMWACQYFN-NWDGAFQWSA-N 2 1 256.394 -0.421 20 0 CBADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068807938 351623007 /nfs/dbraw/zinc/62/30/07/351623007.db2.gz GQXHIRJALSLZBH-QJPTWQEYSA-N 2 1 256.394 -0.278 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000081354703 351705712 /nfs/dbraw/zinc/70/57/12/351705712.db2.gz LDPBBYCIAFIXGV-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000081354703 351705716 /nfs/dbraw/zinc/70/57/16/351705716.db2.gz LDPBBYCIAFIXGV-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+](CCNC(=O)CN1CC[NH+](C)CC1)C1CC1 ZINC000111594579 351804108 /nfs/dbraw/zinc/80/41/08/351804108.db2.gz SXNASUXRGDYHEK-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[N@@H+](CCNC(=O)CN1CC[NH+](C)CC1)C1CC1 ZINC000111594579 351804112 /nfs/dbraw/zinc/80/41/12/351804112.db2.gz SXNASUXRGDYHEK-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000093770594 351761789 /nfs/dbraw/zinc/76/17/89/351761789.db2.gz QYVNTUMNQISSHX-GFCCVEGCSA-N 2 1 294.399 -0.142 20 0 CBADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000093770594 351761792 /nfs/dbraw/zinc/76/17/92/351761792.db2.gz QYVNTUMNQISSHX-GFCCVEGCSA-N 2 1 294.399 -0.142 20 0 CBADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000093770594 351761793 /nfs/dbraw/zinc/76/17/93/351761793.db2.gz QYVNTUMNQISSHX-GFCCVEGCSA-N 2 1 294.399 -0.142 20 0 CBADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000093770594 351761795 /nfs/dbraw/zinc/76/17/95/351761795.db2.gz QYVNTUMNQISSHX-GFCCVEGCSA-N 2 1 294.399 -0.142 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)O1 ZINC000094573150 351763942 /nfs/dbraw/zinc/76/39/42/351763942.db2.gz XRTGPLKHNBNGAT-LOWDOPEQSA-N 2 1 283.372 -0.528 20 0 CBADMP C[NH+](C)[C@H]1CCCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000111597662 351803843 /nfs/dbraw/zinc/80/38/43/351803843.db2.gz GRXJWUBTJCUGNK-ZDUSSCGKSA-N 2 1 268.405 -0.214 20 0 CBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000111599574 351803862 /nfs/dbraw/zinc/80/38/62/351803862.db2.gz YBSOOARAAQWQNO-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000111599574 351803864 /nfs/dbraw/zinc/80/38/64/351803864.db2.gz YBSOOARAAQWQNO-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP C[N@@H+](CCNC(=O)COC1CC[NH2+]CC1)C1CC1 ZINC000111758620 351805663 /nfs/dbraw/zinc/80/56/63/351805663.db2.gz BSAZWGJGNWPOEM-UHFFFAOYSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000111695978 351806049 /nfs/dbraw/zinc/80/60/49/351806049.db2.gz JSIAINWEHOGGSB-NEPJUHHUSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000111695978 351806051 /nfs/dbraw/zinc/80/60/51/351806051.db2.gz JSIAINWEHOGGSB-NEPJUHHUSA-N 2 1 255.362 -0.096 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000114076519 351816201 /nfs/dbraw/zinc/81/62/01/351816201.db2.gz ZBHBNIROCTXJMC-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CNC(=O)C[NH3+] ZINC000125244222 351856497 /nfs/dbraw/zinc/85/64/97/351856497.db2.gz AMORBOOZIAGFIA-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP C[N@H+]1CCN(C(=O)CNC(=O)C[NH3+])C2(CCCCC2)C1 ZINC000125249986 351856786 /nfs/dbraw/zinc/85/67/86/351856786.db2.gz DZOASZSSMDWQQH-UHFFFAOYSA-N 2 1 282.388 -0.462 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000120620234 351842687 /nfs/dbraw/zinc/84/26/87/351842687.db2.gz WBNZSXHEPNUPCQ-YPMHNXCESA-N 2 1 289.445 -0.148 20 0 CBADMP CC(C)[NH+](C/C=C/C[N@@H+](CC(N)=O)C(C)C)CC(N)=O ZINC000120769937 351843260 /nfs/dbraw/zinc/84/32/60/351843260.db2.gz KTTGLWPRCFMADC-AATRIKPKSA-N 2 1 284.404 -0.066 20 0 CBADMP CC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000130455098 351879114 /nfs/dbraw/zinc/87/91/14/351879114.db2.gz IACHLJUKXVNHCI-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NC(N)=O ZINC000136309283 351919814 /nfs/dbraw/zinc/91/98/14/351919814.db2.gz ZAWSTAHHYPUPGX-UHFFFAOYSA-N 2 1 253.306 -0.292 20 0 CBADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NC(N)=O ZINC000136309283 351919817 /nfs/dbraw/zinc/91/98/17/351919817.db2.gz ZAWSTAHHYPUPGX-UHFFFAOYSA-N 2 1 253.306 -0.292 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+](C)C ZINC000133652038 351900732 /nfs/dbraw/zinc/90/07/32/351900732.db2.gz WEZFSQUQLSMZCA-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000133631897 351900830 /nfs/dbraw/zinc/90/08/30/351900830.db2.gz ZIOYTLQMVWUTDU-GMTAPVOTSA-N 2 1 268.361 -0.144 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCCC[NH+]2CCC[C@@H]2CO)C1 ZINC000134148177 351904118 /nfs/dbraw/zinc/90/41/18/351904118.db2.gz KQYPBXVIXDVCBX-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCCC[NH+]2CCC[C@@H]2CO)C1 ZINC000134148177 351904123 /nfs/dbraw/zinc/90/41/23/351904123.db2.gz KQYPBXVIXDVCBX-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000134148177 351904126 /nfs/dbraw/zinc/90/41/26/351904126.db2.gz KQYPBXVIXDVCBX-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000134148177 351904130 /nfs/dbraw/zinc/90/41/30/351904130.db2.gz KQYPBXVIXDVCBX-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP O=C(CN1CC[NH2+]CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157780426 351958050 /nfs/dbraw/zinc/95/80/50/351958050.db2.gz XLLBQCFHNUCMPU-CHWSQXEVSA-N 2 1 266.389 -0.365 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC[N@@H+]1CCOC ZINC000168063256 351992070 /nfs/dbraw/zinc/99/20/70/351992070.db2.gz GIFJVUQPPXMUKY-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC[N@H+]1CCOC ZINC000168063256 351992073 /nfs/dbraw/zinc/99/20/73/351992073.db2.gz GIFJVUQPPXMUKY-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000168635114 351994256 /nfs/dbraw/zinc/99/42/56/351994256.db2.gz XCQPZCODZHDCCU-YPMHNXCESA-N 2 1 282.388 -0.654 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000168635114 351994257 /nfs/dbraw/zinc/99/42/57/351994257.db2.gz XCQPZCODZHDCCU-YPMHNXCESA-N 2 1 282.388 -0.654 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000168635008 351994344 /nfs/dbraw/zinc/99/43/44/351994344.db2.gz XCQPZCODZHDCCU-AAEUAGOBSA-N 2 1 282.388 -0.654 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000168635008 351994346 /nfs/dbraw/zinc/99/43/46/351994346.db2.gz XCQPZCODZHDCCU-AAEUAGOBSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000168939473 351995160 /nfs/dbraw/zinc/99/51/60/351995160.db2.gz JOZAUNRZPGKWFO-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000169232164 351996317 /nfs/dbraw/zinc/99/63/17/351996317.db2.gz MKXXFYUHRAJGQR-JTQLQIEISA-N 2 1 278.360 -0.462 20 0 CBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CC[NH2+]C1 ZINC000168942225 351996707 /nfs/dbraw/zinc/99/67/07/351996707.db2.gz QTNNCASXRBTBPJ-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP COCCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000174516082 352048140 /nfs/dbraw/zinc/04/81/40/352048140.db2.gz KZTUCZBSPQZCJS-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000174516082 352048144 /nfs/dbraw/zinc/04/81/44/352048144.db2.gz KZTUCZBSPQZCJS-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186682478 352130275 /nfs/dbraw/zinc/13/02/75/352130275.db2.gz XMLSDQAAKLYNEH-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186650809 352130435 /nfs/dbraw/zinc/13/04/35/352130435.db2.gz BVXBPBAMBNZGKT-RYUDHWBXSA-N 2 1 280.372 -0.839 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186720498 352130569 /nfs/dbraw/zinc/13/05/69/352130569.db2.gz UQJYCQPELGQEJW-AAEUAGOBSA-N 2 1 282.388 -0.608 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000178700506 352081914 /nfs/dbraw/zinc/08/19/14/352081914.db2.gz KGXVUNKJIJJYGC-LLVKDONJSA-N 2 1 268.361 -0.981 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000178881949 352084877 /nfs/dbraw/zinc/08/48/77/352084877.db2.gz WBLGPDHXLQNJKJ-QWHCGFSZSA-N 2 1 268.405 -0.119 20 0 CBADMP C[NH2+]CC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000178884861 352086012 /nfs/dbraw/zinc/08/60/12/352086012.db2.gz UHJYOLPKOIFXLH-CQSZACIVSA-N 2 1 298.431 -0.541 20 0 CBADMP CS(=O)(=O)N[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178974193 352086453 /nfs/dbraw/zinc/08/64/53/352086453.db2.gz JVMDNDDAGJQVBR-NSHDSACASA-N 2 1 261.391 -0.391 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC000179302269 352089159 /nfs/dbraw/zinc/08/91/59/352089159.db2.gz SZVQWAMPVOBHME-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP OC(CN1CCC[C@H](O)C1)C[N@H+]1CCC[C@H](O)C1 ZINC000181774454 352100954 /nfs/dbraw/zinc/10/09/54/352100954.db2.gz BYBYNOZGNMRJCA-RYUDHWBXSA-N 2 1 258.362 -0.739 20 0 CBADMP C[N@H+](CCCC(=O)NC(N)=O)CCCN1CC[NH+](C)CC1 ZINC000182950954 352105952 /nfs/dbraw/zinc/10/59/52/352105952.db2.gz DLQKKAKCEAMLOU-UHFFFAOYSA-N 2 1 299.419 -0.469 20 0 CBADMP CC[N@H+]1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)[C@H](C)C1 ZINC000185204563 352117412 /nfs/dbraw/zinc/11/74/12/352117412.db2.gz CKWFJERZPZGNTK-GHMZBOCLSA-N 2 1 268.361 -0.142 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188728711 352157605 /nfs/dbraw/zinc/15/76/05/352157605.db2.gz BETBISMNPVMOSK-UHFFFAOYSA-N 2 1 295.387 -0.247 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188754841 352158137 /nfs/dbraw/zinc/15/81/37/352158137.db2.gz HPPXSKQWICTMGB-QJPTWQEYSA-N 2 1 273.352 -0.087 20 0 CBADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000192095669 352195410 /nfs/dbraw/zinc/19/54/10/352195410.db2.gz XBWFLPRSSNFHNM-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000187901456 352144073 /nfs/dbraw/zinc/14/40/73/352144073.db2.gz MITVSFYBRJWCEX-RFQIPJPRSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)C1 ZINC000187912125 352144476 /nfs/dbraw/zinc/14/44/76/352144476.db2.gz DMKJWVPMZKCEAI-SDDRHHMPSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188251927 352149291 /nfs/dbraw/zinc/14/92/91/352149291.db2.gz VDUWZAITXTUFIP-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188251905 352149446 /nfs/dbraw/zinc/14/94/46/352149446.db2.gz VDUWZAITXTUFIP-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000219035877 352236638 /nfs/dbraw/zinc/23/66/38/352236638.db2.gz PJTLRAZBLGZQDK-YPMHNXCESA-N 2 1 286.420 -0.068 20 0 CBADMP C[C@@]1(O)CC[NH+](CC(O)C[N@H+]2CC[C@@](C)(O)C2)C1 ZINC000194603735 352217629 /nfs/dbraw/zinc/21/76/29/352217629.db2.gz KRDUYTLSYJUMED-CHWSQXEVSA-N 2 1 258.362 -0.739 20 0 CBADMP C[C@@]1(O)CC[NH+](CC(O)C[N@@H+]2CC[C@@](C)(O)C2)C1 ZINC000194603735 352217636 /nfs/dbraw/zinc/21/76/36/352217636.db2.gz KRDUYTLSYJUMED-CHWSQXEVSA-N 2 1 258.362 -0.739 20 0 CBADMP CN1CC[C@@H]([N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000227186939 352255396 /nfs/dbraw/zinc/25/53/96/352255396.db2.gz GBKRXNILBLYZMU-GHMZBOCLSA-N 2 1 268.361 -0.996 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000227578138 352258110 /nfs/dbraw/zinc/25/81/10/352258110.db2.gz BQVCSKYAONEGMD-JQWIXIFHSA-N 2 1 253.346 -0.282 20 0 CBADMP Cn1c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(=O)n(C)c1=O ZINC000228475702 352262279 /nfs/dbraw/zinc/26/22/79/352262279.db2.gz NTTFLMMHDFFPDQ-CYZMBNFOSA-N 2 1 292.383 -0.357 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000225353570 352246999 /nfs/dbraw/zinc/24/69/99/352246999.db2.gz FRAHEVFOKZCCHY-LBPRGKRZSA-N 2 1 254.378 -0.652 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000226399338 352252192 /nfs/dbraw/zinc/25/21/92/352252192.db2.gz GVWWYPDITMRWOW-JQWIXIFHSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CCOCC2)CC[N@H+]1C ZINC000226876892 352253995 /nfs/dbraw/zinc/25/39/95/352253995.db2.gz ZWPSUAYSIDXIRF-HZSPNIEDSA-N 2 1 271.405 -0.248 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NC(N)=O)[C@@H](C)C1 ZINC000245441259 352320744 /nfs/dbraw/zinc/32/07/44/352320744.db2.gz VHEJIWIAZNCXFO-VHSXEESVSA-N 2 1 256.350 -0.157 20 0 CBADMP CCC[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000236821063 352294151 /nfs/dbraw/zinc/29/41/51/352294151.db2.gz KJZOXAWUTFKZMR-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000236874860 352295070 /nfs/dbraw/zinc/29/50/70/352295070.db2.gz VDUWZAITXTUFIP-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH2+]CCNC(=O)CC[NH+]1CCN(CC)CC1 ZINC000236897096 352296098 /nfs/dbraw/zinc/29/60/98/352296098.db2.gz RBLBHVLLWYFHQQ-UHFFFAOYSA-N 2 1 256.394 -0.260 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C[NH2+]C1CC1 ZINC000237137676 352299819 /nfs/dbraw/zinc/29/98/19/352299819.db2.gz CMWPXBNQIRPYAE-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000237494278 352305753 /nfs/dbraw/zinc/30/57/53/352305753.db2.gz CBGTZIZJTKYZAC-UPJWGTAASA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@@H](CNC(=O)C[NH2+]C1CC1)CN1CC[NH+](C)CC1 ZINC000237545327 352307387 /nfs/dbraw/zinc/30/73/87/352307387.db2.gz SJLQPBFPJTYSKD-LBPRGKRZSA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000237666685 352308031 /nfs/dbraw/zinc/30/80/31/352308031.db2.gz ZJENAGSTGLUPDH-HZSPNIEDSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000237666685 352308033 /nfs/dbraw/zinc/30/80/33/352308033.db2.gz ZJENAGSTGLUPDH-HZSPNIEDSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000237666143 352308144 /nfs/dbraw/zinc/30/81/44/352308144.db2.gz PQFQCUAJTRAJDX-MJBXVCDLSA-N 2 1 299.415 -0.020 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237944041 352312253 /nfs/dbraw/zinc/31/22/53/352312253.db2.gz SWSZMBNTPJGPMA-CYBMUJFWSA-N 2 1 263.341 -0.038 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237944041 352312254 /nfs/dbraw/zinc/31/22/54/352312254.db2.gz SWSZMBNTPJGPMA-CYBMUJFWSA-N 2 1 263.341 -0.038 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC000245472502 352321782 /nfs/dbraw/zinc/32/17/82/352321782.db2.gz ZCUUJVFMRSFXIA-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000245472502 352321783 /nfs/dbraw/zinc/32/17/83/352321783.db2.gz ZCUUJVFMRSFXIA-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000245472502 352321787 /nfs/dbraw/zinc/32/17/87/352321787.db2.gz ZCUUJVFMRSFXIA-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000245472502 352321791 /nfs/dbraw/zinc/32/17/91/352321791.db2.gz ZCUUJVFMRSFXIA-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245472502 352321793 /nfs/dbraw/zinc/32/17/93/352321793.db2.gz ZCUUJVFMRSFXIA-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CN1CCO[C@H](C(=O)NCCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000245685080 352323898 /nfs/dbraw/zinc/32/38/98/352323898.db2.gz KQYPBXVIXDVCBX-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCCC[NH+]2CCC[C@H]2CO)C1 ZINC000245685080 352323901 /nfs/dbraw/zinc/32/39/01/352323901.db2.gz KQYPBXVIXDVCBX-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCCC[NH+]2CCC[C@H]2CO)C1 ZINC000245685080 352323903 /nfs/dbraw/zinc/32/39/03/352323903.db2.gz KQYPBXVIXDVCBX-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000245685080 352323907 /nfs/dbraw/zinc/32/39/07/352323907.db2.gz KQYPBXVIXDVCBX-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000245685080 352323910 /nfs/dbraw/zinc/32/39/10/352323910.db2.gz KQYPBXVIXDVCBX-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000246578391 352335369 /nfs/dbraw/zinc/33/53/69/352335369.db2.gz VMDGDPCTWPSFFT-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000249960376 352371320 /nfs/dbraw/zinc/37/13/20/352371320.db2.gz JNXYHLRRKWLJGX-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000249960376 352371322 /nfs/dbraw/zinc/37/13/22/352371322.db2.gz JNXYHLRRKWLJGX-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000250369163 352372008 /nfs/dbraw/zinc/37/20/08/352372008.db2.gz VISVJCYAWHDIRU-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250615009 352373214 /nfs/dbraw/zinc/37/32/14/352373214.db2.gz NQXSVKFKPMTYTN-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CCC[NH2+]C1 ZINC000250521524 352373305 /nfs/dbraw/zinc/37/33/05/352373305.db2.gz LITFGCKVBFJIQI-FRRDWIJNSA-N 2 1 267.373 -0.035 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000250487171 352373322 /nfs/dbraw/zinc/37/33/22/352373322.db2.gz FGTNFEODSVKDIQ-GRYCIOLGSA-N 2 1 255.362 -0.444 20 0 CBADMP CS(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250937216 352373950 /nfs/dbraw/zinc/37/39/50/352373950.db2.gz GZMNBZKZCKGHRC-MNOVXSKESA-N 2 1 261.391 -0.248 20 0 CBADMP CS(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250937216 352373953 /nfs/dbraw/zinc/37/39/53/352373953.db2.gz GZMNBZKZCKGHRC-MNOVXSKESA-N 2 1 261.391 -0.248 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251274902 352375287 /nfs/dbraw/zinc/37/52/87/352375287.db2.gz MFVXOXYAGAOFKL-RYUDHWBXSA-N 2 1 253.346 -0.329 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000252088818 352376606 /nfs/dbraw/zinc/37/66/06/352376606.db2.gz GWBFXRXSBHXNOC-IJLUTSLNSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000252088818 352376611 /nfs/dbraw/zinc/37/66/11/352376611.db2.gz GWBFXRXSBHXNOC-IJLUTSLNSA-N 2 1 255.362 -0.049 20 0 CBADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(=O)n(C)c1=O ZINC000252668401 352379602 /nfs/dbraw/zinc/37/96/02/352379602.db2.gz WJHLHLKLAVLUHW-OLZOCXBDSA-N 2 1 292.383 -0.200 20 0 CBADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(=O)n(C)c1=O ZINC000252668401 352379607 /nfs/dbraw/zinc/37/96/07/352379607.db2.gz WJHLHLKLAVLUHW-OLZOCXBDSA-N 2 1 292.383 -0.200 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261564297 352388013 /nfs/dbraw/zinc/38/80/13/352388013.db2.gz HEOGDLUAIKRJMX-UWVGGRQHSA-N 2 1 254.334 -0.627 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261564297 352388017 /nfs/dbraw/zinc/38/80/17/352388017.db2.gz HEOGDLUAIKRJMX-UWVGGRQHSA-N 2 1 254.334 -0.627 20 0 CBADMP Cn1c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc(=O)n(C)c1=O ZINC000261591880 352389868 /nfs/dbraw/zinc/38/98/68/352389868.db2.gz MDJUDEAFJCCWHI-ZDUSSCGKSA-N 2 1 266.345 -0.745 20 0 CBADMP Cn1c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc(=O)n(C)c1=O ZINC000261591880 352389871 /nfs/dbraw/zinc/38/98/71/352389871.db2.gz MDJUDEAFJCCWHI-ZDUSSCGKSA-N 2 1 266.345 -0.745 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000261594167 352390978 /nfs/dbraw/zinc/39/09/78/352390978.db2.gz ZQHYDFSTUDGUPY-NSHDSACASA-N 2 1 252.318 -0.314 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)C1 ZINC000261684454 352392569 /nfs/dbraw/zinc/39/25/69/352392569.db2.gz IBBSPZCWTKDQOG-TUAOUCFPSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)C1 ZINC000261684454 352392573 /nfs/dbraw/zinc/39/25/73/352392573.db2.gz IBBSPZCWTKDQOG-TUAOUCFPSA-N 2 1 255.362 -0.097 20 0 CBADMP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000261741088 352394886 /nfs/dbraw/zinc/39/48/86/352394886.db2.gz MCJKLZFMCVCANI-MNOVXSKESA-N 2 1 280.372 -0.142 20 0 CBADMP CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000261741088 352394889 /nfs/dbraw/zinc/39/48/89/352394889.db2.gz MCJKLZFMCVCANI-MNOVXSKESA-N 2 1 280.372 -0.142 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2(COC)CC[NH2+]CC2)C1 ZINC000261808912 352397670 /nfs/dbraw/zinc/39/76/70/352397670.db2.gz WPHRGXDXPOTRBR-CYBMUJFWSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2(COC)CC[NH2+]CC2)C1 ZINC000261808912 352397672 /nfs/dbraw/zinc/39/76/72/352397672.db2.gz WPHRGXDXPOTRBR-CYBMUJFWSA-N 2 1 299.415 -0.161 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)[NH3+])CC1 ZINC000261853675 352398480 /nfs/dbraw/zinc/39/84/80/352398480.db2.gz OZCVILYCSLJRBW-SNVBAGLBSA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000248894996 352357739 /nfs/dbraw/zinc/35/77/39/352357739.db2.gz XFRFUMFYBFHMGI-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000248894996 352357741 /nfs/dbraw/zinc/35/77/41/352357741.db2.gz XFRFUMFYBFHMGI-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000262185128 352408948 /nfs/dbraw/zinc/40/89/48/352408948.db2.gz ZIEBTMPBRORPRD-NEPJUHHUSA-N 2 1 273.377 -0.423 20 0 CBADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C3C[NH2+]C3)CC2)CCO1 ZINC000262207185 352409970 /nfs/dbraw/zinc/40/99/70/352409970.db2.gz IEIHGEFRUAFZQJ-LLVKDONJSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262313939 352415648 /nfs/dbraw/zinc/41/56/48/352415648.db2.gz BTHMZXBSOPMGRE-IJLUTSLNSA-N 2 1 255.362 -0.443 20 0 CBADMP CC[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[N@H+]1CCOC ZINC000262345094 352416978 /nfs/dbraw/zinc/41/69/78/352416978.db2.gz ILOWQKWQJWGTGF-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH2+]CCC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000262349137 352416992 /nfs/dbraw/zinc/41/69/92/352416992.db2.gz IUDJKYZJUZPHPZ-UHFFFAOYSA-N 2 1 270.377 -0.782 20 0 CBADMP CC[C@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[N@H+]1CCOC ZINC000262345091 352417087 /nfs/dbraw/zinc/41/70/87/352417087.db2.gz ILOWQKWQJWGTGF-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262367261 352418957 /nfs/dbraw/zinc/41/89/57/352418957.db2.gz JNGOSWBUICJCFQ-YVECIDJPSA-N 2 1 269.389 -0.054 20 0 CBADMP C[NH2+]CCC(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000262430488 352421516 /nfs/dbraw/zinc/42/15/16/352421516.db2.gz SZRCAEDXKBICDU-UHFFFAOYSA-N 2 1 292.387 -0.199 20 0 CBADMP C[C@H](C[NH3+])C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000262466158 352422559 /nfs/dbraw/zinc/42/25/59/352422559.db2.gz XUAGJXIIHYGCMP-LLVKDONJSA-N 2 1 292.387 -0.214 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)C[NH3+])CC1 ZINC000262473813 352423587 /nfs/dbraw/zinc/42/35/87/352423587.db2.gz YOSKGMPNFQKDRM-LLVKDONJSA-N 2 1 284.404 -0.312 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262545932 352425620 /nfs/dbraw/zinc/42/56/20/352425620.db2.gz SAOUNZIILVHDPW-JHJVBQTASA-N 2 1 285.388 -0.818 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH2+]C)CC1=O ZINC000262568146 352426587 /nfs/dbraw/zinc/42/65/87/352426587.db2.gz FPKRHJNHQXGFPT-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000262666037 352430022 /nfs/dbraw/zinc/43/00/22/352430022.db2.gz KFOKUUVXBBCRJN-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000262949918 352436866 /nfs/dbraw/zinc/43/68/66/352436866.db2.gz VIWHBDVWUAYHNR-WOPDTQHZSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000262949918 352436870 /nfs/dbraw/zinc/43/68/70/352436870.db2.gz VIWHBDVWUAYHNR-WOPDTQHZSA-N 2 1 255.362 -0.036 20 0 CBADMP O=C(CCN1CCN(C2CC2)C(=O)C1)N1CCNCC1 ZINC000262012853 352403404 /nfs/dbraw/zinc/40/34/04/352403404.db2.gz FOXGDTXYKIJMCW-UHFFFAOYSA-N 2 1 280.372 -0.885 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC000262039925 352404279 /nfs/dbraw/zinc/40/42/79/352404279.db2.gz HOKKVNFRGWJAKW-MGPQQGTHSA-N 3 1 280.416 -0.133 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)N3CCNCC3)C[C@H]21 ZINC000262039925 352404280 /nfs/dbraw/zinc/40/42/80/352404280.db2.gz HOKKVNFRGWJAKW-MGPQQGTHSA-N 2 1 280.416 -0.133 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)N3CCNCC3)C[C@H]21 ZINC000262039925 352404281 /nfs/dbraw/zinc/40/42/81/352404281.db2.gz HOKKVNFRGWJAKW-MGPQQGTHSA-N 2 1 280.416 -0.133 20 0 CBADMP CC[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@H+]1C[C@@H](C)O ZINC000262058140 352405199 /nfs/dbraw/zinc/40/51/99/352405199.db2.gz RLQCQFFGJIJNLH-RQJABVFESA-N 2 1 299.415 -0.204 20 0 CBADMP NC(=O)C[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262146687 352407902 /nfs/dbraw/zinc/40/79/02/352407902.db2.gz OYIKSQDIOONNAF-GFCCVEGCSA-N 2 1 282.388 -0.604 20 0 CBADMP CC[N@H+](CCO)CCNC(=O)NCCn1cc[nH+]c1C ZINC000274630596 352542572 /nfs/dbraw/zinc/54/25/72/352542572.db2.gz HXORDBYVQMMGSI-UHFFFAOYSA-N 2 1 283.376 -0.195 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCCn1cc[nH+]c1C ZINC000274630596 352542574 /nfs/dbraw/zinc/54/25/74/352542574.db2.gz HXORDBYVQMMGSI-UHFFFAOYSA-N 2 1 283.376 -0.195 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3n[nH]cc3C2)CC1 ZINC000283266288 352621136 /nfs/dbraw/zinc/62/11/36/352621136.db2.gz WJKSTZRRJKNUJT-UHFFFAOYSA-N 2 1 277.372 -0.068 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3n[nH]cc3C2)CC1 ZINC000283266288 352621139 /nfs/dbraw/zinc/62/11/39/352621139.db2.gz WJKSTZRRJKNUJT-UHFFFAOYSA-N 2 1 277.372 -0.068 20 0 CBADMP C[N@H+](CCO)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000303396468 352743857 /nfs/dbraw/zinc/74/38/57/352743857.db2.gz HXXHALKXKGWEKY-UHFFFAOYSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@@H+](CCO)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000303396468 352743861 /nfs/dbraw/zinc/74/38/61/352743861.db2.gz HXXHALKXKGWEKY-UHFFFAOYSA-N 2 1 255.362 -0.347 20 0 CBADMP CN(C)S(=O)(=O)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000310909925 352763092 /nfs/dbraw/zinc/76/30/92/352763092.db2.gz GXGPQUVOFGPSBD-TUAOUCFPSA-N 2 1 275.418 -0.063 20 0 CBADMP CN(C)S(=O)(=O)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000310909923 352763453 /nfs/dbraw/zinc/76/34/53/352763453.db2.gz GXGPQUVOFGPSBD-SRVKXCTJSA-N 2 1 275.418 -0.063 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)Cn1cc(CCC[NH3+])nn1 ZINC000310923127 352764372 /nfs/dbraw/zinc/76/43/72/352764372.db2.gz CTPUNHAXLFPXJR-LBPRGKRZSA-N 2 1 255.366 -0.130 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)Cn1cccn1 ZINC000311610470 352769570 /nfs/dbraw/zinc/76/95/70/352769570.db2.gz VLPNHBNUPDRKJD-QWHCGFSZSA-N 2 1 270.377 -0.200 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)Cn1cccn1 ZINC000311610470 352769571 /nfs/dbraw/zinc/76/95/71/352769571.db2.gz VLPNHBNUPDRKJD-QWHCGFSZSA-N 2 1 270.377 -0.200 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311769965 352770437 /nfs/dbraw/zinc/77/04/37/352770437.db2.gz XAPVTSTVHSXFGF-GARJFASQSA-N 2 1 268.361 -0.238 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000311800814 352770462 /nfs/dbraw/zinc/77/04/62/352770462.db2.gz ZOLLNMGFXUSHPA-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000311800814 352770463 /nfs/dbraw/zinc/77/04/63/352770463.db2.gz ZOLLNMGFXUSHPA-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000311800814 352770465 /nfs/dbraw/zinc/77/04/65/352770465.db2.gz ZOLLNMGFXUSHPA-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000311800814 352770466 /nfs/dbraw/zinc/77/04/66/352770466.db2.gz ZOLLNMGFXUSHPA-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP CN(C)c1nc(N)nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000314680377 352780131 /nfs/dbraw/zinc/78/01/31/352780131.db2.gz DRKWNLOQPPLPBJ-PHIMTYICSA-N 2 1 291.403 -0.049 20 0 CBADMP CN(C)c1nc(N)nc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000314680377 352780133 /nfs/dbraw/zinc/78/01/33/352780133.db2.gz DRKWNLOQPPLPBJ-PHIMTYICSA-N 2 1 291.403 -0.049 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCN[C@H](c3cccnc3)C2)C1 ZINC000328663668 352786479 /nfs/dbraw/zinc/78/64/79/352786479.db2.gz YCMNZKXMIGOOMA-KBPBESRZSA-N 2 1 290.367 -0.115 20 0 CBADMP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000331367810 352909539 /nfs/dbraw/zinc/90/95/39/352909539.db2.gz BQHWIDZUYWIBFL-WCQYABFASA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@H](C)[NH2+]1 ZINC000331378225 352910488 /nfs/dbraw/zinc/91/04/88/352910488.db2.gz HUPIOECCTTXLPZ-TUAOUCFPSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000331411185 352912473 /nfs/dbraw/zinc/91/24/73/352912473.db2.gz RMJBHYPPFAPQHO-MDZLAQPJSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[NH2+]1 ZINC000331452773 352916033 /nfs/dbraw/zinc/91/60/33/352916033.db2.gz ZKABQYJMYUFLFC-MNOVXSKESA-N 2 1 280.372 -0.840 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332620042 352970739 /nfs/dbraw/zinc/97/07/39/352970739.db2.gz TYUYAQRXEJTZLR-UPJWGTAASA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC[NH2+]1 ZINC000332650723 352972558 /nfs/dbraw/zinc/97/25/58/352972558.db2.gz UKLIQOVLAVTZOR-JHJVBQTASA-N 2 1 294.399 -0.498 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332664692 352973636 /nfs/dbraw/zinc/97/36/36/352973636.db2.gz XUWSSCXLJISSHB-NWDGAFQWSA-N 2 1 280.372 -0.887 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332664691 352973860 /nfs/dbraw/zinc/97/38/60/352973860.db2.gz XUWSSCXLJISSHB-NEPJUHHUSA-N 2 1 280.372 -0.887 20 0 CBADMP CC(C)([NH3+])CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332720074 352979545 /nfs/dbraw/zinc/97/95/45/352979545.db2.gz NZAQBKJEPSQWBI-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP CC(C)([NH3+])CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332720074 352979546 /nfs/dbraw/zinc/97/95/46/352979546.db2.gz NZAQBKJEPSQWBI-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000332196666 352939531 /nfs/dbraw/zinc/93/95/31/352939531.db2.gz CMZOTCSBBMUUSY-YNEHKIRRSA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000332192145 352939723 /nfs/dbraw/zinc/93/97/23/352939723.db2.gz BAZGVWYZZPZZPD-NWDGAFQWSA-N 2 1 280.372 -0.887 20 0 CBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000332229513 352940055 /nfs/dbraw/zinc/94/00/55/352940055.db2.gz LSTXPURSNWXAEZ-YNEHKIRRSA-N 2 1 294.399 -0.369 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000332247875 352941243 /nfs/dbraw/zinc/94/12/43/352941243.db2.gz AZYYSTDPVNIRRO-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000332259181 352941271 /nfs/dbraw/zinc/94/12/71/352941271.db2.gz ALCKEIIBPHADGL-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC[NH2+]1 ZINC000332306607 352943396 /nfs/dbraw/zinc/94/33/96/352943396.db2.gz WKPIXBINSAVPQP-UPJWGTAASA-N 2 1 294.399 -0.641 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000332379109 352947167 /nfs/dbraw/zinc/94/71/67/352947167.db2.gz XLMKFHYKAIEWBS-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000332578858 352968767 /nfs/dbraw/zinc/96/87/67/352968767.db2.gz AMSGJANYSAUXOS-YNEHKIRRSA-N 2 1 294.399 -0.369 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C[C@H](C)[NH2+]1 ZINC000332600820 352969904 /nfs/dbraw/zinc/96/99/04/352969904.db2.gz CWUCYMRHMJKYGK-FRRDWIJNSA-N 2 1 294.399 -0.498 20 0 CBADMP C[C@@H]1CN(C(=O)NCC(F)(F)C[NH3+])[C@H](C)C[NH2+]1 ZINC000335424356 353032899 /nfs/dbraw/zinc/03/28/99/353032899.db2.gz XVPXKECUJOFXAI-HTQZYQBOSA-N 2 1 250.293 -0.028 20 0 CBADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCC(F)(F)C[NH3+] ZINC000335423783 353033050 /nfs/dbraw/zinc/03/30/50/353033050.db2.gz UFOJSHJCKDUTJR-JGVFFNPUSA-N 2 1 250.293 -0.028 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[N@H+]1C1CC1 ZINC000333136892 352999989 /nfs/dbraw/zinc/99/99/89/352999989.db2.gz CMBWOBWILPHKJS-URBCHYCLSA-N 2 1 282.388 -0.414 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H]1CCC[NH+]1C ZINC000333706572 353008098 /nfs/dbraw/zinc/00/80/98/353008098.db2.gz FTMJFRKFZVLINW-STQMWFEESA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H]1CCC[NH+]1C ZINC000333706572 353008100 /nfs/dbraw/zinc/00/81/00/353008100.db2.gz FTMJFRKFZVLINW-STQMWFEESA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000333706572 353008103 /nfs/dbraw/zinc/00/81/03/353008103.db2.gz FTMJFRKFZVLINW-STQMWFEESA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000333706572 353008106 /nfs/dbraw/zinc/00/81/06/353008106.db2.gz FTMJFRKFZVLINW-STQMWFEESA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333744750 353009129 /nfs/dbraw/zinc/00/91/29/353009129.db2.gz YDALOVLBUHIAKN-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333744750 353009132 /nfs/dbraw/zinc/00/91/32/353009132.db2.gz YDALOVLBUHIAKN-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP 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 353012744 /nfs/dbraw/zinc/01/27/44/353012744.db2.gz RVVHYBKWCYAFQR-FHUSYTEZSA-N 2 1 282.388 -0.699 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000333891541 353013373 /nfs/dbraw/zinc/01/33/73/353013373.db2.gz YGMYIBXDODTUBO-AVGNSLFASA-N 2 1 284.404 -0.308 20 0 CBADMP C[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000333907697 353013413 /nfs/dbraw/zinc/01/34/13/353013413.db2.gz DCCPAGONMJBDKW-LBPRGKRZSA-N 2 1 297.403 -0.846 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000333912907 353013625 /nfs/dbraw/zinc/01/36/25/353013625.db2.gz FQPITZGTXBPKOS-RWMBFGLXSA-N 2 1 282.388 -0.099 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333891540 353013749 /nfs/dbraw/zinc/01/37/49/353013749.db2.gz YGMYIBXDODTUBO-AGIUHOORSA-N 2 1 284.404 -0.308 20 0 CBADMP COCC[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336812900 353058120 /nfs/dbraw/zinc/05/81/20/353058120.db2.gz BFLRTYKGGRXEAG-CQSZACIVSA-N 2 1 271.405 -0.295 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCn1cncn1 ZINC000336797428 353053749 /nfs/dbraw/zinc/05/37/49/353053749.db2.gz ACGCFOQZXZUNEC-UHFFFAOYSA-N 2 1 266.393 -0.153 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2CO)CC1 ZINC000338249691 353091419 /nfs/dbraw/zinc/09/14/19/353091419.db2.gz KBEYUFSPEFQIRJ-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2CO)CC1 ZINC000338249691 353091422 /nfs/dbraw/zinc/09/14/22/353091422.db2.gz KBEYUFSPEFQIRJ-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000338264145 353091843 /nfs/dbraw/zinc/09/18/43/353091843.db2.gz OFSZCZGVWARPKR-LLVKDONJSA-N 2 1 268.361 -0.900 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000338264145 353091844 /nfs/dbraw/zinc/09/18/44/353091844.db2.gz OFSZCZGVWARPKR-LLVKDONJSA-N 2 1 268.361 -0.900 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC000338283506 353093211 /nfs/dbraw/zinc/09/32/11/353093211.db2.gz QYLXGMYMHVJKBI-CQSZACIVSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC000338283506 353093213 /nfs/dbraw/zinc/09/32/13/353093213.db2.gz QYLXGMYMHVJKBI-CQSZACIVSA-N 2 1 269.389 -0.003 20 0 CBADMP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000338287094 353093360 /nfs/dbraw/zinc/09/33/60/353093360.db2.gz WQYSPMOHPIECBL-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000338287094 353093362 /nfs/dbraw/zinc/09/33/62/353093362.db2.gz WQYSPMOHPIECBL-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CCO[C@H]1COCC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338293043 353093388 /nfs/dbraw/zinc/09/33/88/353093388.db2.gz DSSUEVBRVPZJOU-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H](O)[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338293360 353093431 /nfs/dbraw/zinc/09/34/31/353093431.db2.gz YBXABIRLFZTIFA-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](O)[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338293360 353093433 /nfs/dbraw/zinc/09/34/33/353093433.db2.gz YBXABIRLFZTIFA-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000338287799 353093608 /nfs/dbraw/zinc/09/36/08/353093608.db2.gz WALIVBMZPXFKLR-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000338287799 353093611 /nfs/dbraw/zinc/09/36/11/353093611.db2.gz WALIVBMZPXFKLR-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000338287793 353093727 /nfs/dbraw/zinc/09/37/27/353093727.db2.gz WALIVBMZPXFKLR-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000338287793 353093728 /nfs/dbraw/zinc/09/37/28/353093728.db2.gz WALIVBMZPXFKLR-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](OCCO)C2)CC1 ZINC000338309131 353094323 /nfs/dbraw/zinc/09/43/23/353094323.db2.gz TZJVAEGZCTVLPK-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](OCCO)C2)CC1 ZINC000338309131 353094326 /nfs/dbraw/zinc/09/43/26/353094326.db2.gz TZJVAEGZCTVLPK-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP CO[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338305752 353094505 /nfs/dbraw/zinc/09/45/05/353094505.db2.gz JKXLBRNEQWWRHS-LBPRGKRZSA-N 2 1 255.362 -0.129 20 0 CBADMP CO[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338305752 353094506 /nfs/dbraw/zinc/09/45/06/353094506.db2.gz JKXLBRNEQWWRHS-LBPRGKRZSA-N 2 1 255.362 -0.129 20 0 CBADMP COCC[N@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338304042 353094619 /nfs/dbraw/zinc/09/46/19/353094619.db2.gz HTJVIGKYOYMLNY-UHFFFAOYSA-N 2 1 273.377 -0.909 20 0 CBADMP COCC[N@@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338304042 353094622 /nfs/dbraw/zinc/09/46/22/353094622.db2.gz HTJVIGKYOYMLNY-UHFFFAOYSA-N 2 1 273.377 -0.909 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+](CCO)C2CCC2)CC1 ZINC000338351635 353097914 /nfs/dbraw/zinc/09/79/14/353097914.db2.gz GDEZOCNUXZWICP-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCO)C2CCC2)CC1 ZINC000338351635 353097915 /nfs/dbraw/zinc/09/79/15/353097915.db2.gz GDEZOCNUXZWICP-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP C[C@@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338361353 353098679 /nfs/dbraw/zinc/09/86/79/353098679.db2.gz RROGNWOKNDIDNF-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1[C@@H](CO)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338361353 353098680 /nfs/dbraw/zinc/09/86/80/353098680.db2.gz RROGNWOKNDIDNF-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1CO ZINC000338362563 353098726 /nfs/dbraw/zinc/09/87/26/353098726.db2.gz PZLXTDAVHKFHEY-STQMWFEESA-N 2 1 269.389 -0.289 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1CO ZINC000338362563 353098728 /nfs/dbraw/zinc/09/87/28/353098728.db2.gz PZLXTDAVHKFHEY-STQMWFEESA-N 2 1 269.389 -0.289 20 0 CBADMP C[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H]1CO ZINC000338374552 353099565 /nfs/dbraw/zinc/09/95/65/353099565.db2.gz URWZNXDVZQFMIC-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H]1CO ZINC000338374552 353099568 /nfs/dbraw/zinc/09/95/68/353099568.db2.gz URWZNXDVZQFMIC-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000339582983 353135733 /nfs/dbraw/zinc/13/57/33/353135733.db2.gz PXKVHRWTEMKLHK-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000340117772 353151973 /nfs/dbraw/zinc/15/19/73/353151973.db2.gz FLDTWYINYGUPBD-YNEHKIRRSA-N 2 1 296.415 -0.183 20 0 CBADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000340271028 353161691 /nfs/dbraw/zinc/16/16/91/353161691.db2.gz JFXDMRQDAJZZHC-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000340271028 353161694 /nfs/dbraw/zinc/16/16/94/353161694.db2.gz JFXDMRQDAJZZHC-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000340700263 353182479 /nfs/dbraw/zinc/18/24/79/353182479.db2.gz LJBBZETYGGJNFC-KGLIPLIRSA-N 2 1 271.405 -0.389 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000341253654 353207531 /nfs/dbraw/zinc/20/75/31/353207531.db2.gz DDRBJEHDMDOIJJ-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000341253654 353207533 /nfs/dbraw/zinc/20/75/33/353207533.db2.gz DDRBJEHDMDOIJJ-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000341253654 353207534 /nfs/dbraw/zinc/20/75/34/353207534.db2.gz DDRBJEHDMDOIJJ-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000342763697 353232029 /nfs/dbraw/zinc/23/20/29/353232029.db2.gz DFZKKVSWAGEESN-JTQLQIEISA-N 2 1 257.334 -0.523 20 0 CBADMP C[NH+](C)CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000342658812 353226232 /nfs/dbraw/zinc/22/62/32/353226232.db2.gz CXZVTXVACHYBGF-UHFFFAOYSA-N 2 1 285.392 -0.989 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000342693979 353228274 /nfs/dbraw/zinc/22/82/74/353228274.db2.gz FSBZPOVVGUZNMC-NEPJUHHUSA-N 2 1 282.388 -0.558 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000342695930 353228337 /nfs/dbraw/zinc/22/83/37/353228337.db2.gz GXMHMZMXYLDZHK-MNOVXSKESA-N 2 1 287.360 -0.896 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000342712393 353229129 /nfs/dbraw/zinc/22/91/29/353229129.db2.gz RMGZCUDXKZUYQT-ONGXEEELSA-N 2 1 271.361 -0.134 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000342737524 353230436 /nfs/dbraw/zinc/23/04/36/353230436.db2.gz NBELAMNFBYISQP-RYUDHWBXSA-N 2 1 283.372 -0.038 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000342737527 353230719 /nfs/dbraw/zinc/23/07/19/353230719.db2.gz NBELAMNFBYISQP-VXGBXAGGSA-N 2 1 283.372 -0.038 20 0 CBADMP [NH3+]C[C@H](NC(=O)[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000155600288 188215560 /nfs/dbraw/zinc/21/55/60/188215560.db2.gz VVLMWMQBXBRSRN-NWDGAFQWSA-N 2 1 255.362 -0.001 20 0 CBADMP CN(C(=O)[C@H]1C[NH+]2CCN1CCC2)[C@@H]1CCC[N@@H+](C)C1 ZINC000343557773 353278568 /nfs/dbraw/zinc/27/85/68/353278568.db2.gz ZZVRFRYRCYFXBS-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C(=O)[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCC[NH+](C)C1 ZINC000343557773 353278571 /nfs/dbraw/zinc/27/85/71/353278571.db2.gz ZZVRFRYRCYFXBS-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C(=O)[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1CCC[NH+](C)C1 ZINC000343557773 353278574 /nfs/dbraw/zinc/27/85/74/353278574.db2.gz ZZVRFRYRCYFXBS-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343216973 353259987 /nfs/dbraw/zinc/25/99/87/353259987.db2.gz KPMNBUIQJURYCY-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343216973 353259989 /nfs/dbraw/zinc/25/99/89/353259989.db2.gz KPMNBUIQJURYCY-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343216973 353259990 /nfs/dbraw/zinc/25/99/90/353259990.db2.gz KPMNBUIQJURYCY-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343260451 353262146 /nfs/dbraw/zinc/26/21/46/353262146.db2.gz JKQURACCIKHWPC-CQSZACIVSA-N 2 1 280.416 -0.070 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)[NH+](C)C1CC1 ZINC000343287204 353264130 /nfs/dbraw/zinc/26/41/30/353264130.db2.gz NNGXLDLTRLHQPM-LLVKDONJSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCC[NH+](C)C1CC1)[N@H+](C)C1CC1 ZINC000343287204 353264134 /nfs/dbraw/zinc/26/41/34/353264134.db2.gz NNGXLDLTRLHQPM-LLVKDONJSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCC[NH+](C)C1CC1)[N@@H+](C)C1CC1 ZINC000343287204 353264136 /nfs/dbraw/zinc/26/41/36/353264136.db2.gz NNGXLDLTRLHQPM-LLVKDONJSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)CC[N@H+]1C ZINC000343298087 353265421 /nfs/dbraw/zinc/26/54/21/353265421.db2.gz NHJPMSDFJBRVFE-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC[NH+]1C ZINC000343298087 353265423 /nfs/dbraw/zinc/26/54/23/353265423.db2.gz NHJPMSDFJBRVFE-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC[NH+]1C ZINC000343298087 353265428 /nfs/dbraw/zinc/26/54/28/353265428.db2.gz NHJPMSDFJBRVFE-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP [NH3+]CC1CCC(CNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000343587635 353280106 /nfs/dbraw/zinc/28/01/06/353280106.db2.gz DKGSUHXWTWXJMH-MCIGGMRASA-N 2 1 255.362 -0.144 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343898870 353297165 /nfs/dbraw/zinc/29/71/65/353297165.db2.gz PNKSPPVNEXCVNI-VHDGCEQUSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343898870 353297168 /nfs/dbraw/zinc/29/71/68/353297168.db2.gz PNKSPPVNEXCVNI-VHDGCEQUSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343898870 353297171 /nfs/dbraw/zinc/29/71/71/353297171.db2.gz PNKSPPVNEXCVNI-VHDGCEQUSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000346227794 353367210 /nfs/dbraw/zinc/36/72/10/353367210.db2.gz QSMCKZONDSNIDT-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2C)CC1=O ZINC000346127919 353363026 /nfs/dbraw/zinc/36/30/26/353363026.db2.gz VTQSDMGEXLLGQD-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000346127246 353363103 /nfs/dbraw/zinc/36/31/03/353363103.db2.gz CGMOSYBVPSNCDG-RYUDHWBXSA-N 2 1 256.394 -0.311 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CC(F)F)C[C@@H]1C ZINC000345708648 353345093 /nfs/dbraw/zinc/34/50/93/353345093.db2.gz JNWHULMVYWAEHA-LPEHRKFASA-N 2 1 279.331 -0.118 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]([NH3+])CC(F)F)C[C@@H]1C ZINC000345708648 353345096 /nfs/dbraw/zinc/34/50/96/353345096.db2.gz JNWHULMVYWAEHA-LPEHRKFASA-N 2 1 279.331 -0.118 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000348918108 353441115 /nfs/dbraw/zinc/44/11/15/353441115.db2.gz KGVMNWKBXSWBQY-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000348918108 353441116 /nfs/dbraw/zinc/44/11/16/353441116.db2.gz KGVMNWKBXSWBQY-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000348918108 353441117 /nfs/dbraw/zinc/44/11/17/353441117.db2.gz KGVMNWKBXSWBQY-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)CCOC2C[NH2+]C2)C[C@H](C)O1 ZINC000349026326 353445588 /nfs/dbraw/zinc/44/55/88/353445588.db2.gz JZONVTSZNILPQH-BETUJISGSA-N 2 1 299.415 -0.020 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[NH+](CCO)CC1 ZINC000261927752 137702291 /nfs/dbraw/zinc/70/22/91/137702291.db2.gz ZQPQJNHLQFQPCK-NWDGAFQWSA-N 2 1 255.362 -0.360 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCOCC[NH+](C)C)C1 ZINC000349727492 353462346 /nfs/dbraw/zinc/46/23/46/353462346.db2.gz RYLGXUBMKWSTMM-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCOCC[NH+](C)C)C1 ZINC000349727492 353462348 /nfs/dbraw/zinc/46/23/48/353462348.db2.gz RYLGXUBMKWSTMM-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000349905749 353466833 /nfs/dbraw/zinc/46/68/33/353466833.db2.gz MNKSVFDUJDWQLG-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP CC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000349905749 353466835 /nfs/dbraw/zinc/46/68/35/353466835.db2.gz MNKSVFDUJDWQLG-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP CC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000349905749 353466836 /nfs/dbraw/zinc/46/68/36/353466836.db2.gz MNKSVFDUJDWQLG-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)[C@H]2C1 ZINC000352806323 353506439 /nfs/dbraw/zinc/50/64/39/353506439.db2.gz PZQQYHOXRYNGTF-ILXRZTDVSA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)[C@H]2C1 ZINC000352806323 353506440 /nfs/dbraw/zinc/50/64/40/353506440.db2.gz PZQQYHOXRYNGTF-ILXRZTDVSA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)[C@H]2C1 ZINC000352806323 353506441 /nfs/dbraw/zinc/50/64/41/353506441.db2.gz PZQQYHOXRYNGTF-ILXRZTDVSA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]([NH3+])CC(N)=O)cc1 ZINC000353083028 353520233 /nfs/dbraw/zinc/52/02/33/353520233.db2.gz CUTDJXSNRIOWMP-LBPRGKRZSA-N 2 1 278.356 -0.433 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[C@H]1O ZINC000352660316 353499787 /nfs/dbraw/zinc/49/97/87/353499787.db2.gz NGUUNHHMKZOSNQ-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[C@H]1O ZINC000352660316 353499790 /nfs/dbraw/zinc/49/97/90/353499790.db2.gz NGUUNHHMKZOSNQ-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CCN1CC[N@H+](C[C@H](O)CN2CCOCC2)[C@@H](C)C1 ZINC000352690869 353501993 /nfs/dbraw/zinc/50/19/93/353501993.db2.gz FWQFGCMRZDUBNY-UONOGXRCSA-N 2 1 271.405 -0.295 20 0 CBADMP CCN1CC[N@@H+](C[C@H](O)CN2CCOCC2)[C@@H](C)C1 ZINC000352690869 353501995 /nfs/dbraw/zinc/50/19/95/353501995.db2.gz FWQFGCMRZDUBNY-UONOGXRCSA-N 2 1 271.405 -0.295 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354679743 353577420 /nfs/dbraw/zinc/57/74/20/353577420.db2.gz RBGMLOBMXCPTAU-LBPRGKRZSA-N 2 1 293.371 -0.434 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000354709742 353579663 /nfs/dbraw/zinc/57/96/63/353579663.db2.gz KDDFOZVJNLYRRZ-JHJVBQTASA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000354709745 353579689 /nfs/dbraw/zinc/57/96/89/353579689.db2.gz KDDFOZVJNLYRRZ-UPJWGTAASA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354717209 353580247 /nfs/dbraw/zinc/58/02/47/353580247.db2.gz VIEXTUNESLADDZ-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354717209 353580250 /nfs/dbraw/zinc/58/02/50/353580250.db2.gz VIEXTUNESLADDZ-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000355142128 353587545 /nfs/dbraw/zinc/58/75/45/353587545.db2.gz WCDDUTZCIQSKGL-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)CN(C)C)[C@H]2C1 ZINC000355301054 353590999 /nfs/dbraw/zinc/59/09/99/353590999.db2.gz NVIYISVRVHAPTN-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@@H+]1CC[C@H]2OCCN(C(=O)C[NH+](C)C)[C@H]2C1 ZINC000355301054 353591000 /nfs/dbraw/zinc/59/10/00/353591000.db2.gz NVIYISVRVHAPTN-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(Cc1cnc(N2CC[NH+](C)CC2)nc1)C1C[NH2+]C1 ZINC000357038954 353600883 /nfs/dbraw/zinc/60/08/83/353600883.db2.gz AMQBDZZIIXTOTR-UHFFFAOYSA-N 2 1 276.388 -0.368 20 0 CBADMP CS(=O)(=O)N[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359222844 353652622 /nfs/dbraw/zinc/65/26/22/353652622.db2.gz QTZOCKQCABBPST-LBPRGKRZSA-N 2 1 275.418 0.000 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@]1(O)CC[NH+](C)C1)[C@@H]1CCSC1 ZINC000358060299 353623512 /nfs/dbraw/zinc/62/35/12/353623512.db2.gz FGCXDCONEDWDDA-YPMHNXCESA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCSC1 ZINC000358060299 353623515 /nfs/dbraw/zinc/62/35/15/353623515.db2.gz FGCXDCONEDWDDA-YPMHNXCESA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCSC1 ZINC000358060299 353623518 /nfs/dbraw/zinc/62/35/18/353623518.db2.gz FGCXDCONEDWDDA-YPMHNXCESA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000358097980 353626370 /nfs/dbraw/zinc/62/63/70/353626370.db2.gz OCVSPERBLQYKOO-ZIAGYGMSSA-N 2 1 280.416 -0.214 20 0 CBADMP COCC[NH+]1CCC(NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358249495 353633704 /nfs/dbraw/zinc/63/37/04/353633704.db2.gz KFROIRBJNYCUAZ-CQSZACIVSA-N 2 1 271.405 -0.247 20 0 CBADMP CS(=O)(=O)N[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359222843 353652231 /nfs/dbraw/zinc/65/22/31/353652231.db2.gz QTZOCKQCABBPST-GFCCVEGCSA-N 2 1 275.418 0.000 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357916918 353614176 /nfs/dbraw/zinc/61/41/76/353614176.db2.gz IGHLPHANNUMEDP-JLLWLGSASA-N 2 1 266.345 -0.333 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361081546 353659789 /nfs/dbraw/zinc/65/97/89/353659789.db2.gz RHURBCBZNVWXFD-RYDUCSDGSA-N 2 1 267.373 -0.132 20 0 CBADMP C[NH2+]CC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000361718162 353664100 /nfs/dbraw/zinc/66/41/00/353664100.db2.gz LWXVDGMDJZTSAC-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP O=C1CNCCN1[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000362677001 353667390 /nfs/dbraw/zinc/66/73/90/353667390.db2.gz WPOMUVAIULHBJR-KGLIPLIRSA-N 2 1 280.416 -0.118 20 0 CBADMP C[C@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)C1C[NH2+]C1 ZINC000365047194 353672702 /nfs/dbraw/zinc/67/27/02/353672702.db2.gz XRKWDQFXIXANFW-GXTWGEPZSA-N 2 1 296.415 -0.931 20 0 CBADMP C[C@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)C1C[NH2+]C1 ZINC000365047194 353672707 /nfs/dbraw/zinc/67/27/07/353672707.db2.gz XRKWDQFXIXANFW-GXTWGEPZSA-N 2 1 296.415 -0.931 20 0 CBADMP C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1C(=O)C1C[NH2+]C1 ZINC000365047194 353672711 /nfs/dbraw/zinc/67/27/11/353672711.db2.gz XRKWDQFXIXANFW-GXTWGEPZSA-N 2 1 296.415 -0.931 20 0 CBADMP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)C1C[NH2+]C1 ZINC000365047194 353672713 /nfs/dbraw/zinc/67/27/13/353672713.db2.gz XRKWDQFXIXANFW-GXTWGEPZSA-N 2 1 296.415 -0.931 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365105693 353672793 /nfs/dbraw/zinc/67/27/93/353672793.db2.gz QKMZOZNJYHMRAW-JTLRNRKASA-N 2 1 253.346 -0.692 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[N@H+]1C1CC1 ZINC000365313102 353673442 /nfs/dbraw/zinc/67/34/42/353673442.db2.gz AKAPOVFZMYPARN-PKZYVASSSA-N 2 1 253.346 -0.549 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000371226301 353697905 /nfs/dbraw/zinc/69/79/05/353697905.db2.gz QJUTWSUDWRUOBX-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000371226301 353697907 /nfs/dbraw/zinc/69/79/07/353697907.db2.gz QJUTWSUDWRUOBX-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000371226301 353697908 /nfs/dbraw/zinc/69/79/08/353697908.db2.gz QJUTWSUDWRUOBX-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000373688036 353734530 /nfs/dbraw/zinc/73/45/30/353734530.db2.gz LGVVKCMKWYGILF-AWEZNQCLSA-N 2 1 296.415 -0.785 20 0 CBADMP O=C(NCC[NH+]1CCCOCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000373688036 353734535 /nfs/dbraw/zinc/73/45/35/353734535.db2.gz LGVVKCMKWYGILF-AWEZNQCLSA-N 2 1 296.415 -0.785 20 0 CBADMP CC(C)([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372098180 353710378 /nfs/dbraw/zinc/71/03/78/353710378.db2.gz HIUFELJLEDFHEB-GHMZBOCLSA-N 2 1 255.362 -0.219 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3([NH3+])CC3)CC2)C1 ZINC000372099320 353710473 /nfs/dbraw/zinc/71/04/73/353710473.db2.gz SYOFMWSARARNFY-GFCCVEGCSA-N 2 1 266.389 -0.284 20 0 CBADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)C1 ZINC000372098831 353710800 /nfs/dbraw/zinc/71/08/00/353710800.db2.gz OCMHNCVGVUBKMU-UONOGXRCSA-N 2 1 296.415 -0.787 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)C1 ZINC000372098831 353710805 /nfs/dbraw/zinc/71/08/05/353710805.db2.gz OCMHNCVGVUBKMU-UONOGXRCSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370414 353715975 /nfs/dbraw/zinc/71/59/75/353715975.db2.gz RHZAOOBIHCVSNX-AAEUAGOBSA-N 2 1 268.405 -0.040 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370414 353715977 /nfs/dbraw/zinc/71/59/77/353715977.db2.gz RHZAOOBIHCVSNX-AAEUAGOBSA-N 2 1 268.405 -0.040 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000372424565 353717129 /nfs/dbraw/zinc/71/71/29/353717129.db2.gz DZUNEDUUDFOFFQ-TZMCWYRMSA-N 2 1 267.373 -0.223 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CNC(C)(C)C[NH+](C)C ZINC000308637226 260392827 /nfs/dbraw/zinc/39/28/27/260392827.db2.gz PPVQEPAGZMRWCK-LBPRGKRZSA-N 2 1 261.410 -0.145 20 0 CBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)CC[NH3+])CC2)C1 ZINC000375862977 353768852 /nfs/dbraw/zinc/76/88/52/353768852.db2.gz WKLYHGSUXCEXPQ-CYBMUJFWSA-N 2 1 284.404 -0.800 20 0 CBADMP CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)CC[NH3+])CC2)C1 ZINC000375862977 353768853 /nfs/dbraw/zinc/76/88/53/353768853.db2.gz WKLYHGSUXCEXPQ-CYBMUJFWSA-N 2 1 284.404 -0.800 20 0 CBADMP C[C@H](C[NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000375921807 353769792 /nfs/dbraw/zinc/76/97/92/353769792.db2.gz KQYYORPOJRCWBI-MNOVXSKESA-N 2 1 268.361 -0.996 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000375977985 353770720 /nfs/dbraw/zinc/77/07/20/353770720.db2.gz VKBWZYQPAFVEBW-YNEHKIRRSA-N 2 1 283.372 -0.968 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C[C@H]1C ZINC000376243755 353773313 /nfs/dbraw/zinc/77/33/13/353773313.db2.gz GUNFJXIMJSLEPT-OSFYFWSMSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C[C@H]1C ZINC000376243755 353773315 /nfs/dbraw/zinc/77/33/15/353773315.db2.gz GUNFJXIMJSLEPT-OSFYFWSMSA-N 2 1 281.400 -0.101 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3C[NH2+]C3)CC2)C1 ZINC000378638237 353781163 /nfs/dbraw/zinc/78/11/63/353781163.db2.gz APNRJCZJASBFBV-CYBMUJFWSA-N 2 1 266.389 -0.556 20 0 CBADMP Cn1c(C[N@H+](C)C2CC([NH3+])C2)cc(=O)n(C)c1=O ZINC000384756846 353786686 /nfs/dbraw/zinc/78/66/86/353786686.db2.gz PKACIBMJNUDQIE-UHFFFAOYSA-N 2 1 252.318 -0.995 20 0 CBADMP Cn1c(C[N@@H+](C)C2CC([NH3+])C2)cc(=O)n(C)c1=O ZINC000384756846 353786687 /nfs/dbraw/zinc/78/66/87/353786687.db2.gz PKACIBMJNUDQIE-UHFFFAOYSA-N 2 1 252.318 -0.995 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCCF)CC1 ZINC000402492429 353803763 /nfs/dbraw/zinc/80/37/63/353803763.db2.gz AUVKXAVVHGRTIK-CQSZACIVSA-N 2 1 291.411 -0.097 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](CCCF)CC1 ZINC000402492426 353804120 /nfs/dbraw/zinc/80/41/20/353804120.db2.gz AUVKXAVVHGRTIK-AWEZNQCLSA-N 2 1 291.411 -0.097 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404360829 353806710 /nfs/dbraw/zinc/80/67/10/353806710.db2.gz NVFFVCZVLBLRDV-ZJUUUORDSA-N 2 1 256.350 -0.109 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404360829 353806712 /nfs/dbraw/zinc/80/67/12/353806712.db2.gz NVFFVCZVLBLRDV-ZJUUUORDSA-N 2 1 256.350 -0.109 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000407980997 353816709 /nfs/dbraw/zinc/81/67/09/353816709.db2.gz QDWJAKBYRANDKQ-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP CO[C@H]1C[C@@H](C(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)[N@@H+](C)C1 ZINC000408056051 353839433 /nfs/dbraw/zinc/83/94/33/353839433.db2.gz CDJLJPDDZYZTJX-XUXIUFHCSA-N 2 1 299.415 -0.381 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CCCn1ccnn1)C1CC1 ZINC000386080875 353787769 /nfs/dbraw/zinc/78/77/69/353787769.db2.gz HCRIEPMXPAURMH-LBPRGKRZSA-N 2 1 253.350 -0.287 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCn1ccnn1)C1CC1 ZINC000386080875 353787771 /nfs/dbraw/zinc/78/77/71/353787771.db2.gz HCRIEPMXPAURMH-LBPRGKRZSA-N 2 1 253.350 -0.287 20 0 CBADMP CC(C)C(=O)NCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000393188599 353792370 /nfs/dbraw/zinc/79/23/70/353792370.db2.gz VTZURRPHQIHWLR-LBPRGKRZSA-N 2 1 257.378 -0.195 20 0 CBADMP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394375492 353793985 /nfs/dbraw/zinc/79/39/85/353793985.db2.gz OAWBAWRAKPKJHH-NEPJUHHUSA-N 2 1 286.445 -0.427 20 0 CBADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000418394628 353996717 /nfs/dbraw/zinc/99/67/17/353996717.db2.gz XZXYBNIDJCEECI-NEPJUHHUSA-N 2 1 284.404 -0.165 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)NCCC[NH+]1CCOCC1 ZINC000416789599 353972982 /nfs/dbraw/zinc/97/29/82/353972982.db2.gz KNYYPFBYSJXINL-LLVKDONJSA-N 2 1 258.366 -0.255 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000418398945 353996956 /nfs/dbraw/zinc/99/69/56/353996956.db2.gz WSVTYPFALHZBNJ-RYUDHWBXSA-N 2 1 272.393 -0.450 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000418398945 353996961 /nfs/dbraw/zinc/99/69/61/353996961.db2.gz WSVTYPFALHZBNJ-RYUDHWBXSA-N 2 1 272.393 -0.450 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417089041 353975503 /nfs/dbraw/zinc/97/55/03/353975503.db2.gz IPUAHQAGRBAQHE-OLZOCXBDSA-N 2 1 284.404 -0.042 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417446642 353977509 /nfs/dbraw/zinc/97/75/09/353977509.db2.gz MNTAHTGULPGTFZ-QWHCGFSZSA-N 2 1 285.436 -0.081 20 0 CBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000417570471 353979883 /nfs/dbraw/zinc/97/98/83/353979883.db2.gz RXFRDZYWIFEGHI-SNVBAGLBSA-N 2 1 294.346 -0.010 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000417570471 353979885 /nfs/dbraw/zinc/97/98/85/353979885.db2.gz RXFRDZYWIFEGHI-SNVBAGLBSA-N 2 1 294.346 -0.010 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000417699778 353981331 /nfs/dbraw/zinc/98/13/31/353981331.db2.gz GDHBQJBCNMCEIM-TUAOUCFPSA-N 2 1 270.377 -0.162 20 0 CBADMP C[NH2+]CCCNC(=O)NCC[NH+]1CCSCC1 ZINC000417611691 353981380 /nfs/dbraw/zinc/98/13/80/353981380.db2.gz PTTRVAOLPTYTRN-UHFFFAOYSA-N 2 1 260.407 -0.056 20 0 CBADMP C[C@@H](CNC(=O)N1CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC000417729459 353982221 /nfs/dbraw/zinc/98/22/21/353982221.db2.gz QCEWMPRHEHMZSC-LBPRGKRZSA-N 2 1 270.377 -0.431 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)CCC[N@H+]1C ZINC000417993287 353985707 /nfs/dbraw/zinc/98/57/07/353985707.db2.gz AKBFWVQZFMSHAN-WOPDTQHZSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCC[N@H+]1C ZINC000418011595 353986512 /nfs/dbraw/zinc/98/65/12/353986512.db2.gz XBRSGUVTBIJWPY-RHYQMDGZSA-N 2 1 270.377 -0.557 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)CCC[N@H+]1C ZINC000418004226 353986737 /nfs/dbraw/zinc/98/67/37/353986737.db2.gz NXXKFBZJTCJNET-NEPJUHHUSA-N 2 1 282.388 -0.147 20 0 CBADMP [NH3+]CCNC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418292895 353991253 /nfs/dbraw/zinc/99/12/53/353991253.db2.gz DVFRXZPMJPHVKI-KBPBESRZSA-N 2 1 292.383 -0.120 20 0 CBADMP CC[NH2+]CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000418319558 353993081 /nfs/dbraw/zinc/99/30/81/353993081.db2.gz BVTJQMSTDYRHPO-VXGBXAGGSA-N 2 1 272.393 -0.308 20 0 CBADMP C[NH2+]CCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000418326068 353993840 /nfs/dbraw/zinc/99/38/40/353993840.db2.gz KLZHVTGCZQMRTI-LLVKDONJSA-N 2 1 272.393 -0.308 20 0 CBADMP CC[NH2+]CCNC(=O)N1CC[NH+](CCOC)CC1 ZINC000418326176 353993875 /nfs/dbraw/zinc/99/38/75/353993875.db2.gz NPTRKDVWQDAKMS-UHFFFAOYSA-N 2 1 258.366 -0.431 20 0 CBADMP C[C@@H]1CN(C(=O)NCCC[NH3+])CC[N@H+]1CC(C)(C)O ZINC000418362892 353994595 /nfs/dbraw/zinc/99/45/95/353994595.db2.gz VFBVJQBUZDAJBZ-LLVKDONJSA-N 2 1 272.393 -0.178 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000418362977 353995080 /nfs/dbraw/zinc/99/50/80/353995080.db2.gz BOEKQIJLNJJNCP-STQMWFEESA-N 2 1 286.420 -0.012 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000418395414 353996476 /nfs/dbraw/zinc/99/64/76/353996476.db2.gz SOTJZZCQCHSKNF-AVGNSLFASA-N 2 1 286.420 -0.062 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C[NH+](C)C(C)C)CC[N@H+](C)C1 ZINC000413919625 353960433 /nfs/dbraw/zinc/96/04/33/353960433.db2.gz MUBMRSVNJNORJY-LBPRGKRZSA-N 2 1 285.388 -0.110 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C[NH+](C)C(C)C)CC[N@@H+](C)C1 ZINC000413919625 353960436 /nfs/dbraw/zinc/96/04/36/353960436.db2.gz MUBMRSVNJNORJY-LBPRGKRZSA-N 2 1 285.388 -0.110 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[NH+](C)C1 ZINC000413919625 353960437 /nfs/dbraw/zinc/96/04/37/353960437.db2.gz MUBMRSVNJNORJY-LBPRGKRZSA-N 2 1 285.388 -0.110 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[NH+](C)C1 ZINC000413919625 353960440 /nfs/dbraw/zinc/96/04/40/353960440.db2.gz MUBMRSVNJNORJY-LBPRGKRZSA-N 2 1 285.388 -0.110 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000418395416 353996549 /nfs/dbraw/zinc/99/65/49/353996549.db2.gz SOTJZZCQCHSKNF-XQQFMLRXSA-N 2 1 286.420 -0.062 20 0 CBADMP [NH3+]CC1(C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000414716338 353963004 /nfs/dbraw/zinc/96/30/04/353963004.db2.gz SIJGNEDWKYVASQ-GFCCVEGCSA-N 2 1 266.389 -0.379 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)[C@H](C)C1 ZINC000418495453 353998946 /nfs/dbraw/zinc/99/89/46/353998946.db2.gz GAOPEVYEHKDTFZ-NTZNESFSSA-N 2 1 284.404 -0.180 20 0 CBADMP COCC[NH2+]CCNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000418485151 353999454 /nfs/dbraw/zinc/99/94/54/353999454.db2.gz FBCNYQGYHLNRRU-UHFFFAOYSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418583170 354003620 /nfs/dbraw/zinc/00/36/20/354003620.db2.gz ATFJMGVNMUNINW-OLZOCXBDSA-N 2 1 284.404 -0.042 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000418614687 354003935 /nfs/dbraw/zinc/00/39/35/354003935.db2.gz GIMGLLWQKOLZOQ-JSGCOSHPSA-N 2 1 284.404 -0.130 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418781567 354009058 /nfs/dbraw/zinc/00/90/58/354009058.db2.gz CRPFISFTUZMPBD-HZSPNIEDSA-N 2 1 298.431 -0.012 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000419021374 354024303 /nfs/dbraw/zinc/02/43/03/354024303.db2.gz GZWPTELUEWBBJI-JHJVBQTASA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419024906 354024522 /nfs/dbraw/zinc/02/45/22/354024522.db2.gz LGUSZYKCAFWJGZ-JHJVBQTASA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419029770 354025098 /nfs/dbraw/zinc/02/50/98/354025098.db2.gz SCFZYEXOAMEPKC-GRYCIOLGSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419028416 354025372 /nfs/dbraw/zinc/02/53/72/354025372.db2.gz QHIRWTZKKBZAIB-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000419029783 354025425 /nfs/dbraw/zinc/02/54/25/354025425.db2.gz SCFZYEXOAMEPKC-WOPDTQHZSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000419029777 354025451 /nfs/dbraw/zinc/02/54/51/354025451.db2.gz SCFZYEXOAMEPKC-SRVKXCTJSA-N 2 1 284.404 -0.314 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000419034440 354026250 /nfs/dbraw/zinc/02/62/50/354026250.db2.gz ZNRKALYWULQLBQ-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419081218 354027147 /nfs/dbraw/zinc/02/71/47/354027147.db2.gz RHTSMVBRUXSKOQ-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000419107815 354028261 /nfs/dbraw/zinc/02/82/61/354028261.db2.gz QAFBHLHKIMBRNC-JTQLQIEISA-N 2 1 268.361 -0.935 20 0 CBADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419109426 354028548 /nfs/dbraw/zinc/02/85/48/354028548.db2.gz RHYINENKLYATCI-JQWIXIFHSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC[NH2+]1 ZINC000419109916 354028805 /nfs/dbraw/zinc/02/88/05/354028805.db2.gz RSCBTRIGOPDMJK-SNVBAGLBSA-N 2 1 268.361 -0.983 20 0 CBADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419132220 354030537 /nfs/dbraw/zinc/03/05/37/354030537.db2.gz DPEMLKLWWHDRMP-VXGBXAGGSA-N 2 1 296.415 -0.027 20 0 CBADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000419132219 354030553 /nfs/dbraw/zinc/03/05/53/354030553.db2.gz DPEMLKLWWHDRMP-RYUDHWBXSA-N 2 1 296.415 -0.027 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000419150218 354032502 /nfs/dbraw/zinc/03/25/02/354032502.db2.gz KYBUXMJTZXKWKP-QWHCGFSZSA-N 2 1 298.431 -0.066 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419278108 354043677 /nfs/dbraw/zinc/04/36/77/354043677.db2.gz AQDCNHCQADFUQO-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CCC[N@H+]1C ZINC000419554685 354061608 /nfs/dbraw/zinc/06/16/08/354061608.db2.gz ICLKTGHIIQVXRG-QJPTWQEYSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)C[C@H]1[NH3+] ZINC000419562749 354061789 /nfs/dbraw/zinc/06/17/89/354061789.db2.gz VOXPFMWFVHZRDN-DDHJBXDOSA-N 2 1 282.388 -0.609 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[N@@H+](C)C1CC1 ZINC000419575163 354062642 /nfs/dbraw/zinc/06/26/42/354062642.db2.gz ACGWSESQDLQRFI-LLVKDONJSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419583979 354063621 /nfs/dbraw/zinc/06/36/21/354063621.db2.gz KUJCEOURJARHRE-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419585202 354063918 /nfs/dbraw/zinc/06/39/18/354063918.db2.gz LSDGKCQJDZYOJD-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419582172 354063977 /nfs/dbraw/zinc/06/39/77/354063977.db2.gz JERYZAVKMHNHEY-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000419581506 354064268 /nfs/dbraw/zinc/06/42/68/354064268.db2.gz IIDNOYPUBZVXRR-VXGBXAGGSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000419594220 354064856 /nfs/dbraw/zinc/06/48/56/354064856.db2.gz UNRBEROGFKKYCA-MNOVXSKESA-N 2 1 282.388 -0.594 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000419586408 354065569 /nfs/dbraw/zinc/06/55/69/354065569.db2.gz MWIUAUHUNYADOT-PWSUYJOCSA-N 2 1 284.404 -0.315 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000419873629 354087927 /nfs/dbraw/zinc/08/79/27/354087927.db2.gz MWLYZQJQZGDTFX-TXEJJXNPSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419695039 354069961 /nfs/dbraw/zinc/06/99/61/354069961.db2.gz LVNRUMJCVKCJDA-UHFFFAOYSA-N 2 1 284.404 -0.297 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000419690132 354070376 /nfs/dbraw/zinc/07/03/76/354070376.db2.gz BLTDGJBFEAFCLM-NSHDSACASA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419692821 354070564 /nfs/dbraw/zinc/07/05/64/354070564.db2.gz HRDGNIYUTXTDGN-NWDGAFQWSA-N 2 1 296.415 -0.170 20 0 CBADMP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000419700615 354071148 /nfs/dbraw/zinc/07/11/48/354071148.db2.gz XUDSSVAZZRNEHG-NWDGAFQWSA-N 2 1 294.399 -0.321 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419735435 354073985 /nfs/dbraw/zinc/07/39/85/354073985.db2.gz QMNLGWPZFRJDFO-ZDUSSCGKSA-N 2 1 296.415 -0.155 20 0 CBADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N1CC[NH2+]CC1 ZINC000419740746 354074651 /nfs/dbraw/zinc/07/46/51/354074651.db2.gz XZVDDRCKEXDEAC-ZDUSSCGKSA-N 2 1 294.399 -0.449 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419764713 354075470 /nfs/dbraw/zinc/07/54/70/354075470.db2.gz PMAZRAVKGYDCFL-UHFFFAOYSA-N 2 1 270.377 -0.734 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419763507 354075552 /nfs/dbraw/zinc/07/55/52/354075552.db2.gz OCUHFSLUHZRBJE-GFCCVEGCSA-N 2 1 284.404 -0.312 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419763141 354075639 /nfs/dbraw/zinc/07/56/39/354075639.db2.gz NELBBMXMNPCDEY-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419767162 354076700 /nfs/dbraw/zinc/07/67/00/354076700.db2.gz SFKUNXFOISHMFM-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419775215 354077378 /nfs/dbraw/zinc/07/73/78/354077378.db2.gz KSJPGVHLBXIJCT-SNVBAGLBSA-N 2 1 270.377 -0.702 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH2+]CC1 ZINC000419805044 354079307 /nfs/dbraw/zinc/07/93/07/354079307.db2.gz BVDCQGMDQXBCQX-VXGBXAGGSA-N 2 1 280.372 -0.839 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[NH3+])C[C@@H]1C ZINC000419821684 354080283 /nfs/dbraw/zinc/08/02/83/354080283.db2.gz UPMOXEPCTJECDW-VHSXEESVSA-N 2 1 256.350 -0.998 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[NH3+])C[C@@H]1C ZINC000419821684 354080284 /nfs/dbraw/zinc/08/02/84/354080284.db2.gz UPMOXEPCTJECDW-VHSXEESVSA-N 2 1 256.350 -0.998 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[NH3+])CC2)c1 ZINC000419817416 354080352 /nfs/dbraw/zinc/08/03/52/354080352.db2.gz LUVKCSRSXJWVTL-UHFFFAOYSA-N 2 1 291.355 -0.886 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419830423 354081261 /nfs/dbraw/zinc/08/12/61/354081261.db2.gz QGUIEIMWNFQCHU-XQQFMLRXSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCC[NH3+] ZINC000419828344 354081421 /nfs/dbraw/zinc/08/14/21/354081421.db2.gz GKTRLBLNODXTBA-NSHDSACASA-N 2 1 270.377 -0.750 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCC[NH3+] ZINC000419828344 354081423 /nfs/dbraw/zinc/08/14/23/354081423.db2.gz GKTRLBLNODXTBA-NSHDSACASA-N 2 1 270.377 -0.750 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419836937 354082145 /nfs/dbraw/zinc/08/21/45/354082145.db2.gz YWEAEYMZXAXNAB-UHFFFAOYSA-N 2 1 270.377 -0.748 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000419845488 354083988 /nfs/dbraw/zinc/08/39/88/354083988.db2.gz NWPAATKJAGKZLW-LBPRGKRZSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000419845488 354083992 /nfs/dbraw/zinc/08/39/92/354083992.db2.gz NWPAATKJAGKZLW-LBPRGKRZSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C(C)C ZINC000419880203 354088652 /nfs/dbraw/zinc/08/86/52/354088652.db2.gz KLYGJOJOFDBIOZ-LLVKDONJSA-N 2 1 270.377 -0.689 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH2+]C)C[C@@H]1C ZINC000419849064 354084590 /nfs/dbraw/zinc/08/45/90/354084590.db2.gz WPVSMGWJUSWCCD-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH2+]C)C[C@@H]1C ZINC000419849064 354084592 /nfs/dbraw/zinc/08/45/92/354084592.db2.gz WPVSMGWJUSWCCD-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000419848199 354084867 /nfs/dbraw/zinc/08/48/67/354084867.db2.gz UDYFJOQDROTVRP-LBPRGKRZSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000419848199 354084870 /nfs/dbraw/zinc/08/48/70/354084870.db2.gz UDYFJOQDROTVRP-LBPRGKRZSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419860413 354086257 /nfs/dbraw/zinc/08/62/57/354086257.db2.gz KRPYOZMWDMVQRC-VXGBXAGGSA-N 2 1 282.388 -0.560 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419865020 354086602 /nfs/dbraw/zinc/08/66/02/354086602.db2.gz PBMCAAUHSKCSGW-WCQYABFASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000419883329 354088787 /nfs/dbraw/zinc/08/87/87/354088787.db2.gz MWJJPCOUFHHCEY-FRRDWIJNSA-N 2 1 296.415 -0.299 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419291212 354044239 /nfs/dbraw/zinc/04/42/39/354044239.db2.gz WPEZEFCBEPOSDZ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419287771 354044274 /nfs/dbraw/zinc/04/42/74/354044274.db2.gz QMOUAAWOQUODME-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419291806 354044283 /nfs/dbraw/zinc/04/42/83/354044283.db2.gz XOAJKPKKQNZXPB-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000419287258 354044476 /nfs/dbraw/zinc/04/44/76/354044476.db2.gz PQVRAXUCCYMKRJ-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419290429 354044552 /nfs/dbraw/zinc/04/45/52/354044552.db2.gz VNIAZCGFHKZXDX-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419290895 354044833 /nfs/dbraw/zinc/04/48/33/354044833.db2.gz WGXOLEORPIXQCJ-UHFFFAOYSA-N 2 1 296.415 -0.130 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419292756 354044852 /nfs/dbraw/zinc/04/48/52/354044852.db2.gz ZLGWKOJMEMPSLV-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419333993 354046894 /nfs/dbraw/zinc/04/68/94/354046894.db2.gz MWLNWFQDTVTLSQ-WQAKAFBOSA-N 2 1 294.399 -0.561 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000419337538 354046958 /nfs/dbraw/zinc/04/69/58/354046958.db2.gz QUCJRAXGKRYHHR-WZRBSPASSA-N 2 1 296.415 -0.301 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000419338388 354047569 /nfs/dbraw/zinc/04/75/69/354047569.db2.gz SJKQQXVSBRGNNX-ZYHUDNBSSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000419410009 354052810 /nfs/dbraw/zinc/05/28/10/354052810.db2.gz NWTALLJIIPRYNG-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419417253 354053064 /nfs/dbraw/zinc/05/30/64/354053064.db2.gz XCMZCOUHIIJMLQ-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419417167 354053494 /nfs/dbraw/zinc/05/34/94/354053494.db2.gz WYMYWCAGPIMEGW-FRRDWIJNSA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419415256 354053765 /nfs/dbraw/zinc/05/37/65/354053765.db2.gz VDHCPDYSCYPKCP-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419521551 354057074 /nfs/dbraw/zinc/05/70/74/354057074.db2.gz KDYTWPXTXIAZSM-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419519080 354057250 /nfs/dbraw/zinc/05/72/50/354057250.db2.gz FNTKZMJRCKBJOG-MNOVXSKESA-N 2 1 272.393 -0.314 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419519082 354057431 /nfs/dbraw/zinc/05/74/31/354057431.db2.gz FNTKZMJRCKBJOG-WDEREUQCSA-N 2 1 272.393 -0.314 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419509245 354057601 /nfs/dbraw/zinc/05/76/01/354057601.db2.gz DUZUEKHERFONKV-NEPJUHHUSA-N 2 1 286.420 -0.068 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000419509264 354057631 /nfs/dbraw/zinc/05/76/31/354057631.db2.gz DZRXJKKDVZGJMP-NEPJUHHUSA-N 2 1 286.420 -0.053 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419521224 354057663 /nfs/dbraw/zinc/05/76/63/354057663.db2.gz JOIFGMDZZXTFFX-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000419527549 354058567 /nfs/dbraw/zinc/05/85/67/354058567.db2.gz VJFBUZSWQSIFSJ-NSHDSACASA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C)C1CC1 ZINC000419526553 354058756 /nfs/dbraw/zinc/05/87/56/354058756.db2.gz UBXROEAKFXQKNI-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419530424 354059627 /nfs/dbraw/zinc/05/96/27/354059627.db2.gz ZHUNOYIBVWGHDM-WDEREUQCSA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CCC[N@@H+]1C ZINC000419541716 354059698 /nfs/dbraw/zinc/05/96/98/354059698.db2.gz DGUHMWBAFPDQSW-DTWKUNHWSA-N 2 1 292.330 -0.705 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CCC[N@H+]1C ZINC000419541716 354059699 /nfs/dbraw/zinc/05/96/99/354059699.db2.gz DGUHMWBAFPDQSW-DTWKUNHWSA-N 2 1 292.330 -0.705 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000419872314 354087672 /nfs/dbraw/zinc/08/76/72/354087672.db2.gz LHDQPMSDJZLWQO-LLVKDONJSA-N 2 1 270.377 -0.879 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000419872314 354087673 /nfs/dbraw/zinc/08/76/73/354087673.db2.gz LHDQPMSDJZLWQO-LLVKDONJSA-N 2 1 270.377 -0.879 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000419895092 354090855 /nfs/dbraw/zinc/09/08/55/354090855.db2.gz ONZJIDUCKWPQGK-OLZOCXBDSA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000419895092 354090861 /nfs/dbraw/zinc/09/08/61/354090861.db2.gz ONZJIDUCKWPQGK-OLZOCXBDSA-N 2 1 296.415 -0.489 20 0 CBADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000419904056 354091578 /nfs/dbraw/zinc/09/15/78/354091578.db2.gz NWRSSPYUTAHREZ-ZDUSSCGKSA-N 2 1 294.399 -0.591 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000419909107 354092580 /nfs/dbraw/zinc/09/25/80/354092580.db2.gz KNAZPZCEXHISIM-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000419913195 354093326 /nfs/dbraw/zinc/09/33/26/354093326.db2.gz YNFYXFVWADHZND-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000419911989 354093732 /nfs/dbraw/zinc/09/37/32/354093732.db2.gz VGKWFGDLAVFWFK-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000419936941 354094486 /nfs/dbraw/zinc/09/44/86/354094486.db2.gz MGWYUWKNUHQPNL-CHWSQXEVSA-N 2 1 294.399 -0.449 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000419945377 354095226 /nfs/dbraw/zinc/09/52/26/354095226.db2.gz JWOOOAVXJYOYPZ-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000419949436 354096622 /nfs/dbraw/zinc/09/66/22/354096622.db2.gz LGFSHFDELOCKSA-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000419969919 354098036 /nfs/dbraw/zinc/09/80/36/354098036.db2.gz ATJNSLXVASPUJG-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)C[C@H]1C ZINC000419974537 354099523 /nfs/dbraw/zinc/09/95/23/354099523.db2.gz JPQKQSZHYJZEFB-XQQFMLRXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)C[C@H]1C ZINC000419974537 354099529 /nfs/dbraw/zinc/09/95/29/354099529.db2.gz JPQKQSZHYJZEFB-XQQFMLRXSA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000419974543 354099588 /nfs/dbraw/zinc/09/95/88/354099588.db2.gz JPWBYUMABXRXNM-YNEHKIRRSA-N 2 1 298.431 -0.197 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000419991366 354100191 /nfs/dbraw/zinc/10/01/91/354100191.db2.gz IMVYDFASVQQJTQ-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000420008126 354101882 /nfs/dbraw/zinc/10/18/82/354101882.db2.gz BCYJIJRLUUIPQS-NSHDSACASA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000420011288 354102031 /nfs/dbraw/zinc/10/20/31/354102031.db2.gz YQJTXITZNLIWDO-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)C[NH3+])C[C@@H]1C ZINC000420017799 354103086 /nfs/dbraw/zinc/10/30/86/354103086.db2.gz WTWUXPCTURTZFX-VWYCJHECSA-N 2 1 270.377 -0.609 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)C[NH3+])C[C@@H]1C ZINC000420017799 354103089 /nfs/dbraw/zinc/10/30/89/354103089.db2.gz WTWUXPCTURTZFX-VWYCJHECSA-N 2 1 270.377 -0.609 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420018798 354103394 /nfs/dbraw/zinc/10/33/94/354103394.db2.gz QIISBIRBNNHBQY-QWRGUYRKSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420028507 354104334 /nfs/dbraw/zinc/10/43/34/354104334.db2.gz HHHAIDAHGFLMAO-OLZOCXBDSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C[C@H]1C ZINC000420054866 354106128 /nfs/dbraw/zinc/10/61/28/354106128.db2.gz FWFDEFPRIJZWPM-MDZLAQPJSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C[C@H]1C ZINC000420054866 354106129 /nfs/dbraw/zinc/10/61/29/354106129.db2.gz FWFDEFPRIJZWPM-MDZLAQPJSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000420173242 354116069 /nfs/dbraw/zinc/11/60/69/354116069.db2.gz QSXNCUOZAWAPHT-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CN1CCOCC1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000420292978 354121837 /nfs/dbraw/zinc/12/18/37/354121837.db2.gz MEOVXOBRTGUSHN-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP C[C@H](CN1CCOCC1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000420292978 354121839 /nfs/dbraw/zinc/12/18/39/354121839.db2.gz MEOVXOBRTGUSHN-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321575 354122246 /nfs/dbraw/zinc/12/22/46/354122246.db2.gz CXCCWKFAGZBLCU-OLZOCXBDSA-N 2 1 297.399 -0.013 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420317621 354122354 /nfs/dbraw/zinc/12/23/54/354122354.db2.gz ZQXVVDSGACSNAA-WDEREUQCSA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000420307276 354122581 /nfs/dbraw/zinc/12/25/81/354122581.db2.gz BVRCEBODVJAMPM-NSHDSACASA-N 2 1 271.361 -0.131 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000420307276 354122587 /nfs/dbraw/zinc/12/25/87/354122587.db2.gz BVRCEBODVJAMPM-NSHDSACASA-N 2 1 271.361 -0.131 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420313561 354123146 /nfs/dbraw/zinc/12/31/46/354123146.db2.gz UMKRLFHTOQTVSV-WDEREUQCSA-N 2 1 263.407 -0.015 20 0 CBADMP CC(C)C[C@H]1C(=O)NCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420353712 354125721 /nfs/dbraw/zinc/12/57/21/354125721.db2.gz BYFJJFRPTKRRPK-ZDUSSCGKSA-N 2 1 268.405 -0.262 20 0 CBADMP CC(C)C[C@H]1C(=O)NCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000420353712 354125724 /nfs/dbraw/zinc/12/57/24/354125724.db2.gz BYFJJFRPTKRRPK-ZDUSSCGKSA-N 2 1 268.405 -0.262 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420398976 354126928 /nfs/dbraw/zinc/12/69/28/354126928.db2.gz HHVQUHWDNLEHDG-NWDGAFQWSA-N 2 1 285.388 -0.075 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000420398094 354127062 /nfs/dbraw/zinc/12/70/62/354127062.db2.gz YKIRHEBQXMPCLJ-UONOGXRCSA-N 2 1 298.431 -0.411 20 0 CBADMP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000420401254 354127201 /nfs/dbraw/zinc/12/72/01/354127201.db2.gz IYZZJEXGNPKTHO-OLZOCXBDSA-N 3 1 268.405 -0.275 20 0 CBADMP C[C@@H]1CC[N@H+](CCC(=O)N2CCNCC2)C[C@@H]1C[NH3+] ZINC000420401254 354127202 /nfs/dbraw/zinc/12/72/02/354127202.db2.gz IYZZJEXGNPKTHO-OLZOCXBDSA-N 2 1 268.405 -0.275 20 0 CBADMP C[C@@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C[C@@H]1C[NH3+] ZINC000420401254 354127205 /nfs/dbraw/zinc/12/72/05/354127205.db2.gz IYZZJEXGNPKTHO-OLZOCXBDSA-N 2 1 268.405 -0.275 20 0 CBADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000423299762 354167905 /nfs/dbraw/zinc/16/79/05/354167905.db2.gz CHIVLQMAIRIPTA-GFCCVEGCSA-N 2 1 294.399 -0.367 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423345128 354170105 /nfs/dbraw/zinc/17/01/05/354170105.db2.gz OTEOSOCGHLTNIR-PWSUYJOCSA-N 2 1 255.387 -0.097 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000423390896 354174499 /nfs/dbraw/zinc/17/44/99/354174499.db2.gz WLGBYIFAFWIDRU-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000423390896 354174503 /nfs/dbraw/zinc/17/45/03/354174503.db2.gz WLGBYIFAFWIDRU-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@@H]1C ZINC000423391096 354174648 /nfs/dbraw/zinc/17/46/48/354174648.db2.gz PGSSWQZFENELHM-RWMBFGLXSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@@H]1C ZINC000423391096 354174651 /nfs/dbraw/zinc/17/46/51/354174651.db2.gz PGSSWQZFENELHM-RWMBFGLXSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](CNC(=O)C1(C)C[NH2+]C1)C[NH+]1CCOCC1 ZINC000423396804 354174726 /nfs/dbraw/zinc/17/47/26/354174726.db2.gz SPVHFOMAQJKLGA-LLVKDONJSA-N 2 1 255.362 -0.320 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@@H]1C ZINC000423394359 354174900 /nfs/dbraw/zinc/17/49/00/354174900.db2.gz RIHSUPAKWQKSOY-TUAOUCFPSA-N 2 1 282.388 -0.513 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@@H]1C ZINC000423394359 354174903 /nfs/dbraw/zinc/17/49/03/354174903.db2.gz RIHSUPAKWQKSOY-TUAOUCFPSA-N 2 1 282.388 -0.513 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC(C)(C)CC[NH3+] ZINC000422592116 354150490 /nfs/dbraw/zinc/15/04/90/354150490.db2.gz CWNFLZHXBBIKRK-UHFFFAOYSA-N 2 1 260.382 -0.009 20 0 CBADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000422561159 354150766 /nfs/dbraw/zinc/15/07/66/354150766.db2.gz JKLKQOUZNKWRFS-WOPDTQHZSA-N 2 1 294.399 -0.111 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000422776429 354154332 /nfs/dbraw/zinc/15/43/32/354154332.db2.gz ANPUQZQOJCUZLK-NWDGAFQWSA-N 2 1 255.362 -0.036 20 0 CBADMP COCC[N@H+](C)CCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422903548 354157374 /nfs/dbraw/zinc/15/73/74/354157374.db2.gz FPCLLCHNPNIDGE-KBPBESRZSA-N 2 1 271.405 -0.079 20 0 CBADMP COCC[N@@H+](C)CCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422903548 354157375 /nfs/dbraw/zinc/15/73/75/354157375.db2.gz FPCLLCHNPNIDGE-KBPBESRZSA-N 2 1 271.405 -0.079 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422967723 354158276 /nfs/dbraw/zinc/15/82/76/354158276.db2.gz CHNRPGCRAIEZDS-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000422976089 354158294 /nfs/dbraw/zinc/15/82/94/354158294.db2.gz UOEAJAOOHOKFST-VXGBXAGGSA-N 2 1 282.388 -0.608 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422967722 354158420 /nfs/dbraw/zinc/15/84/20/354158420.db2.gz CHNRPGCRAIEZDS-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000422977055 354159559 /nfs/dbraw/zinc/15/95/59/354159559.db2.gz WBCOCFUORWVVNV-RYUDHWBXSA-N 2 1 282.388 -0.608 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000422977053 354159650 /nfs/dbraw/zinc/15/96/50/354159650.db2.gz WBCOCFUORWVVNV-NWDGAFQWSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC000328677981 202005446 /nfs/dbraw/zinc/00/54/46/202005446.db2.gz MGWHDNVBUSWLNG-NSHDSACASA-N 2 1 268.361 -0.189 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC000328677981 202005448 /nfs/dbraw/zinc/00/54/48/202005448.db2.gz MGWHDNVBUSWLNG-NSHDSACASA-N 2 1 268.361 -0.189 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423014840 354160576 /nfs/dbraw/zinc/16/05/76/354160576.db2.gz PTPFLTPZDRIYSO-LBPRGKRZSA-N 2 1 282.388 -0.654 20 0 CBADMP COCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000423511224 354179018 /nfs/dbraw/zinc/17/90/18/354179018.db2.gz KCIXOXNKFQGHNX-GFCCVEGCSA-N 2 1 273.377 -0.552 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000423586708 354181879 /nfs/dbraw/zinc/18/18/79/354181879.db2.gz DXMRRHRFWHQIBI-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000423597430 354182279 /nfs/dbraw/zinc/18/22/79/354182279.db2.gz UCDRWUYNPZSSBN-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000423645388 354188539 /nfs/dbraw/zinc/18/85/39/354188539.db2.gz RECLNJMUPIJOOS-WFASDCNBSA-N 2 1 294.399 -0.639 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423646745 354188730 /nfs/dbraw/zinc/18/87/30/354188730.db2.gz MHUIXXSULGSTAD-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)[C@H](C)C[NH2+]1 ZINC000423652227 354189054 /nfs/dbraw/zinc/18/90/54/354189054.db2.gz NDEPQBBYVUVOTP-VXGBXAGGSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C1 ZINC000423666455 354190453 /nfs/dbraw/zinc/19/04/53/354190453.db2.gz LXGOAEMCSDPGPP-RNJOBUHISA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C1 ZINC000423666455 354190456 /nfs/dbraw/zinc/19/04/56/354190456.db2.gz LXGOAEMCSDPGPP-RNJOBUHISA-N 2 1 296.415 -0.267 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000423717023 354193790 /nfs/dbraw/zinc/19/37/90/354193790.db2.gz YYAANBNXVSDTSH-TXEJJXNPSA-N 2 1 284.404 -0.395 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000423717023 354193796 /nfs/dbraw/zinc/19/37/96/354193796.db2.gz YYAANBNXVSDTSH-TXEJJXNPSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC000423731815 354194825 /nfs/dbraw/zinc/19/48/25/354194825.db2.gz YNHMLNVMYLWGMT-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C1 ZINC000423729266 354195323 /nfs/dbraw/zinc/19/53/23/354195323.db2.gz UZEBNCUZLCLIOC-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423739963 354195895 /nfs/dbraw/zinc/19/58/95/354195895.db2.gz ITXVESUYILWWGU-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000423777581 354199476 /nfs/dbraw/zinc/19/94/76/354199476.db2.gz RTYVNNDOZMLRJM-OCCSQVGLSA-N 2 1 298.431 -0.116 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000423861934 354201490 /nfs/dbraw/zinc/20/14/90/354201490.db2.gz RCAXYNQYJOVJLY-VXGBXAGGSA-N 2 1 285.388 -0.062 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000423861934 354201493 /nfs/dbraw/zinc/20/14/93/354201493.db2.gz RCAXYNQYJOVJLY-VXGBXAGGSA-N 2 1 285.388 -0.062 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCC[NH3+])[C@@H](C)C1 ZINC000423857837 354201580 /nfs/dbraw/zinc/20/15/80/354201580.db2.gz BEYRGIRJZJACKD-NSHDSACASA-N 2 1 271.361 -0.179 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)CCC[NH3+])[C@@H](C)C1 ZINC000423857837 354201582 /nfs/dbraw/zinc/20/15/82/354201582.db2.gz BEYRGIRJZJACKD-NSHDSACASA-N 2 1 271.361 -0.179 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCC[NH3+])[C@H](C)C1 ZINC000423857836 354201907 /nfs/dbraw/zinc/20/19/07/354201907.db2.gz BEYRGIRJZJACKD-LLVKDONJSA-N 2 1 271.361 -0.179 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)CCC[NH3+])[C@H](C)C1 ZINC000423857836 354201908 /nfs/dbraw/zinc/20/19/08/354201908.db2.gz BEYRGIRJZJACKD-LLVKDONJSA-N 2 1 271.361 -0.179 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C[NH3+])OC)[C@H](C)C1 ZINC000423865123 354202826 /nfs/dbraw/zinc/20/28/26/354202826.db2.gz ZZAKDPJFUYXLSB-GHMZBOCLSA-N 2 1 287.360 -0.944 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C[NH3+])OC)[C@H](C)C1 ZINC000423865123 354202830 /nfs/dbraw/zinc/20/28/30/354202830.db2.gz ZZAKDPJFUYXLSB-GHMZBOCLSA-N 2 1 287.360 -0.944 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)C[NH3+])C[C@@H]1C ZINC000423900956 354203953 /nfs/dbraw/zinc/20/39/53/354203953.db2.gz SKJFPDQBAYDEAG-MNOVXSKESA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)C[NH3+])C[C@@H]1C ZINC000423900956 354203957 /nfs/dbraw/zinc/20/39/57/354203957.db2.gz SKJFPDQBAYDEAG-MNOVXSKESA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CC[NH3+])C[C@@H]1C ZINC000423886337 354203979 /nfs/dbraw/zinc/20/39/79/354203979.db2.gz FLDFYFZTXVRCBK-JTQLQIEISA-N 2 1 257.334 -0.569 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)CC[NH3+])C[C@@H]1C ZINC000423886337 354203981 /nfs/dbraw/zinc/20/39/81/354203981.db2.gz FLDFYFZTXVRCBK-JTQLQIEISA-N 2 1 257.334 -0.569 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CC[NH3+])C[C@H]1C ZINC000423886340 354204195 /nfs/dbraw/zinc/20/41/95/354204195.db2.gz FLDFYFZTXVRCBK-SNVBAGLBSA-N 2 1 257.334 -0.569 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)CC[NH3+])C[C@H]1C ZINC000423886340 354204197 /nfs/dbraw/zinc/20/41/97/354204197.db2.gz FLDFYFZTXVRCBK-SNVBAGLBSA-N 2 1 257.334 -0.569 20 0 CBADMP C[N@H+]1CC[C@H]2OCCN(C(=O)C[NH2+]CC3CC3)[C@@H]2C1 ZINC000423934975 354205480 /nfs/dbraw/zinc/20/54/80/354205480.db2.gz XPSBTRBVGIQYEF-CHWSQXEVSA-N 2 1 267.373 -0.083 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC000423975618 354205822 /nfs/dbraw/zinc/20/58/22/354205822.db2.gz LTQUNSVZWSJGFT-WOPDTQHZSA-N 2 1 255.362 -0.099 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC000423975618 354205827 /nfs/dbraw/zinc/20/58/27/354205827.db2.gz LTQUNSVZWSJGFT-WOPDTQHZSA-N 2 1 255.362 -0.099 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C[NH3+])C2CC2)C1 ZINC000423947865 354205913 /nfs/dbraw/zinc/20/59/13/354205913.db2.gz LFAMIRJKGIRFEY-RYUDHWBXSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C[NH3+])C2CC2)C1 ZINC000423947865 354205918 /nfs/dbraw/zinc/20/59/18/354205918.db2.gz LFAMIRJKGIRFEY-RYUDHWBXSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423998647 354207187 /nfs/dbraw/zinc/20/71/87/354207187.db2.gz ZXFGNAMOAIKHLA-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423998356 354207344 /nfs/dbraw/zinc/20/73/44/354207344.db2.gz ZKRGZNMZMABUOD-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423998644 354207348 /nfs/dbraw/zinc/20/73/48/354207348.db2.gz ZXFGNAMOAIKHLA-GRYCIOLGSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000424141123 354210551 /nfs/dbraw/zinc/21/05/51/354210551.db2.gz GVHAJDFXMWUEGJ-KXNHARMFSA-N 2 1 255.362 -0.363 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000424171097 354214340 /nfs/dbraw/zinc/21/43/40/354214340.db2.gz BUXSLJQVOXVKGN-CSMHCCOUSA-N 2 1 269.267 -0.241 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000424171101 354214472 /nfs/dbraw/zinc/21/44/72/354214472.db2.gz BUXSLJQVOXVKGN-PRJMDXOYSA-N 2 1 269.267 -0.241 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424179590 354215748 /nfs/dbraw/zinc/21/57/48/354215748.db2.gz ZCIIRHIOJDAGNQ-AXFHLTTASA-N 2 1 269.345 -0.571 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000424181810 354216867 /nfs/dbraw/zinc/21/68/67/354216867.db2.gz YIBLKIQMKBNJSB-LLVKDONJSA-N 2 1 259.325 -0.346 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423531673 354178444 /nfs/dbraw/zinc/17/84/44/354178444.db2.gz YKOMTKQMCDTPLQ-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[C@H]([NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000430800478 354250817 /nfs/dbraw/zinc/25/08/17/354250817.db2.gz RESYYQGGGOKQBJ-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000430949927 354251448 /nfs/dbraw/zinc/25/14/48/354251448.db2.gz FLQRWBIOLKNTLH-GXTWGEPZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000430949927 354251449 /nfs/dbraw/zinc/25/14/49/354251449.db2.gz FLQRWBIOLKNTLH-GXTWGEPZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000442804365 354259192 /nfs/dbraw/zinc/25/91/92/354259192.db2.gz ZCELLOYTPSILOG-UTUOFQBUSA-N 2 1 284.404 -0.184 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444262612 354266702 /nfs/dbraw/zinc/26/67/02/354266702.db2.gz BLDNGFXYIJWWJS-GFCCVEGCSA-N 2 1 254.378 -0.508 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000444165320 354262104 /nfs/dbraw/zinc/26/21/04/354262104.db2.gz GMDWGOFNCGRLMS-QJPTWQEYSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000444165320 354262105 /nfs/dbraw/zinc/26/21/05/354262105.db2.gz GMDWGOFNCGRLMS-QJPTWQEYSA-N 2 1 255.362 -0.348 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444174534 354263451 /nfs/dbraw/zinc/26/34/51/354263451.db2.gz HDDRIJNSMANZCX-TYNCELHUSA-N 2 1 294.399 -0.558 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000424218652 354220061 /nfs/dbraw/zinc/22/00/61/354220061.db2.gz VRONOMCRJPKSJC-VXGBXAGGSA-N 2 1 285.388 -0.722 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000424333705 354222650 /nfs/dbraw/zinc/22/26/50/354222650.db2.gz MMLARUCMTODXQL-UHFFFAOYSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+]2C[C@H](O)[C@@H](CC)C2)C[C@@H]1O ZINC000447298383 354295083 /nfs/dbraw/zinc/29/50/83/354295083.db2.gz GVLKIEJBSSIUIY-AICCOOGYSA-N 2 1 286.416 -0.247 20 0 CBADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+]2C[C@H](O)[C@@H](CC)C2)C[C@@H]1O ZINC000447298383 354295085 /nfs/dbraw/zinc/29/50/85/354295085.db2.gz GVLKIEJBSSIUIY-AICCOOGYSA-N 2 1 286.416 -0.247 20 0 CBADMP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2C[C@H](O)[C@@H](CC)C2)C[C@@H]1O ZINC000447298383 354295086 /nfs/dbraw/zinc/29/50/86/354295086.db2.gz GVLKIEJBSSIUIY-AICCOOGYSA-N 2 1 286.416 -0.247 20 0 CBADMP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2C[C@H](O)[C@@H](CC)C2)C[C@@H]1O ZINC000447298383 354295089 /nfs/dbraw/zinc/29/50/89/354295089.db2.gz GVLKIEJBSSIUIY-AICCOOGYSA-N 2 1 286.416 -0.247 20 0 CBADMP CC[C@@H]1C[NH+](CC(O)C[N@@H+]2C[C@H](O)[C@H](CC)C2)C[C@@H]1O ZINC000447298386 354295255 /nfs/dbraw/zinc/29/52/55/354295255.db2.gz GVLKIEJBSSIUIY-UXOAXIEHSA-N 2 1 286.416 -0.247 20 0 CBADMP CC[C@@H]1C[NH+](CC(O)C[N@H+]2C[C@H](O)[C@H](CC)C2)C[C@@H]1O ZINC000447298386 354295257 /nfs/dbraw/zinc/29/52/57/354295257.db2.gz GVLKIEJBSSIUIY-UXOAXIEHSA-N 2 1 286.416 -0.247 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000447435653 354298699 /nfs/dbraw/zinc/29/86/99/354298699.db2.gz QCJHSCTUCUNCJH-MNOVXSKESA-N 2 1 259.350 -0.813 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000444270667 354267289 /nfs/dbraw/zinc/26/72/89/354267289.db2.gz SCXDFFCEBVAWBF-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000444270667 354267290 /nfs/dbraw/zinc/26/72/90/354267290.db2.gz SCXDFFCEBVAWBF-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000444270666 354267699 /nfs/dbraw/zinc/26/76/99/354267699.db2.gz SCXDFFCEBVAWBF-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000444270666 354267703 /nfs/dbraw/zinc/26/77/03/354267703.db2.gz SCXDFFCEBVAWBF-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444269046 354267826 /nfs/dbraw/zinc/26/78/26/354267826.db2.gz OXMZVCIHAWMQCY-HIFRSBDPSA-N 2 1 280.416 -0.260 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000449574778 354321118 /nfs/dbraw/zinc/32/11/18/354321118.db2.gz YQIGWUBDWIIVJH-YPMHNXCESA-N 2 1 273.352 -0.085 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000452389569 354350710 /nfs/dbraw/zinc/35/07/10/354350710.db2.gz MPQFXAWMNPJLEJ-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000452389569 354350713 /nfs/dbraw/zinc/35/07/13/354350713.db2.gz MPQFXAWMNPJLEJ-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000452389569 354350716 /nfs/dbraw/zinc/35/07/16/354350716.db2.gz MPQFXAWMNPJLEJ-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000452389569 354350719 /nfs/dbraw/zinc/35/07/19/354350719.db2.gz MPQFXAWMNPJLEJ-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000457087960 354367446 /nfs/dbraw/zinc/36/74/46/354367446.db2.gz BLTQTBHOIQBIOD-FRRDWIJNSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000457087960 354367448 /nfs/dbraw/zinc/36/74/48/354367448.db2.gz BLTQTBHOIQBIOD-FRRDWIJNSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457087960 354367452 /nfs/dbraw/zinc/36/74/52/354367452.db2.gz BLTQTBHOIQBIOD-FRRDWIJNSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457087960 354367454 /nfs/dbraw/zinc/36/74/54/354367454.db2.gz BLTQTBHOIQBIOD-FRRDWIJNSA-N 2 1 269.389 -0.291 20 0 CBADMP C[NH+](C)CCOCCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000471633559 354400575 /nfs/dbraw/zinc/40/05/75/354400575.db2.gz BROAIZSJPVQMAI-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C[C@H](O)CN1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000487468598 354415688 /nfs/dbraw/zinc/41/56/88/354415688.db2.gz HANCIUPGOYEPOX-AGIUHOORSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000487468598 354415693 /nfs/dbraw/zinc/41/56/93/354415693.db2.gz HANCIUPGOYEPOX-AGIUHOORSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000487468598 354415696 /nfs/dbraw/zinc/41/56/96/354415696.db2.gz HANCIUPGOYEPOX-AGIUHOORSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1[C@H](CO)CC[NH+]1C[C@@H](O)C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488743435 354426921 /nfs/dbraw/zinc/42/69/21/354426921.db2.gz IGNLASADOKKTGM-AZOBVAEKSA-N 2 1 286.416 -0.247 20 0 CBADMP C[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H](O)C[NH+]1CC[C@H](CO)[C@@H]1C ZINC000488743435 354426924 /nfs/dbraw/zinc/42/69/24/354426924.db2.gz IGNLASADOKKTGM-AZOBVAEKSA-N 2 1 286.416 -0.247 20 0 CBADMP C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](O)C[NH+]1CC[C@H](CO)[C@@H]1C ZINC000488743435 354426926 /nfs/dbraw/zinc/42/69/26/354426926.db2.gz IGNLASADOKKTGM-AZOBVAEKSA-N 2 1 286.416 -0.247 20 0 CBADMP C[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])CN1CC[NH+](C)CC1 ZINC000493945103 354494762 /nfs/dbraw/zinc/49/47/62/354494762.db2.gz NQIKPRPWUPNDNR-AGIUHOORSA-N 2 1 270.421 -0.031 20 0 CBADMP C[C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](C)CC1 ZINC000519398328 354560859 /nfs/dbraw/zinc/56/08/59/354560859.db2.gz QYLGUFPHFMYWHS-UPJWGTAASA-N 2 1 266.389 -0.700 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529310101 354583479 /nfs/dbraw/zinc/58/34/79/354583479.db2.gz PAZMLBKAUZBNCQ-GHMZBOCLSA-N 2 1 256.350 -0.632 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529308978 354583833 /nfs/dbraw/zinc/58/38/33/354583833.db2.gz XIIWPVRNHUKBCT-CHWSQXEVSA-N 2 1 295.431 -0.184 20 0 CBADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C1CC1 ZINC000534266058 354596192 /nfs/dbraw/zinc/59/61/92/354596192.db2.gz GGRNFZVKNHOWTA-KBPBESRZSA-N 2 1 280.416 -0.167 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000547296321 354657044 /nfs/dbraw/zinc/65/70/44/354657044.db2.gz XIDABEJPAWDJOR-IPYPFGDCSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000547296321 354657047 /nfs/dbraw/zinc/65/70/47/354657047.db2.gz XIDABEJPAWDJOR-IPYPFGDCSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000547296321 354657051 /nfs/dbraw/zinc/65/70/51/354657051.db2.gz XIDABEJPAWDJOR-IPYPFGDCSA-N 2 1 296.415 -0.021 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000547296322 354657434 /nfs/dbraw/zinc/65/74/34/354657434.db2.gz XIDABEJPAWDJOR-NFAWXSAZSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000547296322 354657437 /nfs/dbraw/zinc/65/74/37/354657437.db2.gz XIDABEJPAWDJOR-NFAWXSAZSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000547296322 354657440 /nfs/dbraw/zinc/65/74/40/354657440.db2.gz XIDABEJPAWDJOR-NFAWXSAZSA-N 2 1 296.415 -0.021 20 0 CBADMP C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000537599268 354610912 /nfs/dbraw/zinc/61/09/12/354610912.db2.gz LRURAAHKWWWLND-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000537599268 354610913 /nfs/dbraw/zinc/61/09/13/354610913.db2.gz LRURAAHKWWWLND-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000537599268 354610914 /nfs/dbraw/zinc/61/09/14/354610914.db2.gz LRURAAHKWWWLND-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP CO[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000537619165 354611938 /nfs/dbraw/zinc/61/19/38/354611938.db2.gz YMFJHYCKZKIICC-NEPJUHHUSA-N 2 1 283.372 -0.214 20 0 CBADMP CO[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000537619165 354611941 /nfs/dbraw/zinc/61/19/41/354611941.db2.gz YMFJHYCKZKIICC-NEPJUHHUSA-N 2 1 283.372 -0.214 20 0 CBADMP CC[NH+](CC)CC(=O)NCC(=O)N1CC[NH+](CC)CC1 ZINC000557099719 354684975 /nfs/dbraw/zinc/68/49/75/354684975.db2.gz WNVBICFJYOIPGL-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)CN1CC[NH+](C)CC1 ZINC000563077521 354694605 /nfs/dbraw/zinc/69/46/05/354694605.db2.gz IFCOPMKZNINIDW-RDBSUJKOSA-N 2 1 282.432 -0.016 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000563166759 354700875 /nfs/dbraw/zinc/70/08/75/354700875.db2.gz SYKPDZDKFKTPHO-VXGBXAGGSA-N 2 1 256.394 -0.264 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000563198272 354702039 /nfs/dbraw/zinc/70/20/39/354702039.db2.gz NEOXQXSRUSPDGZ-VXGBXAGGSA-N 2 1 282.388 -0.687 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)CC2 ZINC000563248456 354704627 /nfs/dbraw/zinc/70/46/27/354704627.db2.gz BXYJEZIVNITMEV-SWLSCSKDSA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)CC2 ZINC000563248456 354704628 /nfs/dbraw/zinc/70/46/28/354704628.db2.gz BXYJEZIVNITMEV-SWLSCSKDSA-N 2 1 292.383 -0.063 20 0 CBADMP [NH3+]CCCCn1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)nn1 ZINC000563806740 354705175 /nfs/dbraw/zinc/70/51/75/354705175.db2.gz CJLNHUHQNSHBOY-LLVKDONJSA-N 2 1 292.387 -0.017 20 0 CBADMP CN(CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000564085248 354709792 /nfs/dbraw/zinc/70/97/92/354709792.db2.gz IULKLUKWXWTXLS-GFCCVEGCSA-N 3 1 254.378 -0.556 20 0 CBADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)N1CC[NH2+]CC1 ZINC000564988092 354724457 /nfs/dbraw/zinc/72/44/57/354724457.db2.gz FSEFRKLWZRPNNA-LBPRGKRZSA-N 3 1 254.378 -0.650 20 0 CBADMP C[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)N1CCNCC1 ZINC000564988092 354724462 /nfs/dbraw/zinc/72/44/62/354724462.db2.gz FSEFRKLWZRPNNA-LBPRGKRZSA-N 2 1 254.378 -0.650 20 0 CBADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)N1CCNCC1 ZINC000564988092 354724465 /nfs/dbraw/zinc/72/44/65/354724465.db2.gz FSEFRKLWZRPNNA-LBPRGKRZSA-N 2 1 254.378 -0.650 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000564989359 354724522 /nfs/dbraw/zinc/72/45/22/354724522.db2.gz MUISKBCAAAGCNT-VXGBXAGGSA-N 3 1 254.378 -0.523 20 0 CBADMP C[C@@H]1C[N@H+](CCC(=O)N2CCNCC2)CC[C@H]1[NH3+] ZINC000564989359 354724525 /nfs/dbraw/zinc/72/45/25/354724525.db2.gz MUISKBCAAAGCNT-VXGBXAGGSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CCNCC2)CC[C@H]1[NH3+] ZINC000564989359 354724530 /nfs/dbraw/zinc/72/45/30/354724530.db2.gz MUISKBCAAAGCNT-VXGBXAGGSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000564989221 354724608 /nfs/dbraw/zinc/72/46/08/354724608.db2.gz BYUNEPVPAYDTAU-CHWSQXEVSA-N 3 1 268.405 -0.133 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000564989221 354724612 /nfs/dbraw/zinc/72/46/12/354724612.db2.gz BYUNEPVPAYDTAU-CHWSQXEVSA-N 2 1 268.405 -0.133 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000564989221 354724617 /nfs/dbraw/zinc/72/46/17/354724617.db2.gz BYUNEPVPAYDTAU-CHWSQXEVSA-N 2 1 268.405 -0.133 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000564989873 354724994 /nfs/dbraw/zinc/72/49/94/354724994.db2.gz WABYEXPAIRKBOP-MNOVXSKESA-N 2 1 271.361 -0.323 20 0 CBADMP CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000564996660 354725660 /nfs/dbraw/zinc/72/56/60/354725660.db2.gz HNOPOOGGKDQIRK-VHSXEESVSA-N 2 1 251.334 -0.370 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000565240436 354734281 /nfs/dbraw/zinc/73/42/81/354734281.db2.gz WSNCHCDRXWKFML-GRYCIOLGSA-N 3 1 252.362 -0.770 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](CO)[C@@H]1CCOC1)C1CC1 ZINC000565833474 354746583 /nfs/dbraw/zinc/74/65/83/354746583.db2.gz FRYNCFLUJQKTSJ-MBNYWOFBSA-N 2 1 272.389 -0.324 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](CO)[C@@H]1CCOC1)C1CC1 ZINC000565833474 354746584 /nfs/dbraw/zinc/74/65/84/354746584.db2.gz FRYNCFLUJQKTSJ-MBNYWOFBSA-N 2 1 272.389 -0.324 20 0 CBADMP COCc1noc(CN2CC[NH+](CCOCC[NH3+])CC2)n1 ZINC000566010180 354750931 /nfs/dbraw/zinc/75/09/31/354750931.db2.gz CCPAXOSLJVWOAG-UHFFFAOYSA-N 2 1 299.375 -0.691 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC(=O)OC)C1 ZINC000566194104 354756216 /nfs/dbraw/zinc/75/62/16/354756216.db2.gz ZCBWLJIZMISIAR-UWVGGRQHSA-N 2 1 257.334 -0.665 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000566286677 354761885 /nfs/dbraw/zinc/76/18/85/354761885.db2.gz QUSLDYJRPYLVNA-UTUOFQBUSA-N 2 1 282.388 -0.573 20 0 CBADMP C[C@H](C(=O)N(C)C1(C[NH3+])CCC1)N1CC[NH+](C)CC1 ZINC000566974588 354778916 /nfs/dbraw/zinc/77/89/16/354778916.db2.gz BCMAWWOKUSHIIS-GFCCVEGCSA-N 2 1 268.405 -0.038 20 0 CBADMP C[C@@]1(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1 ZINC000567110363 354781564 /nfs/dbraw/zinc/78/15/64/354781564.db2.gz AROPHKQOHBZBJK-TZMCWYRMSA-N 3 1 268.405 -0.227 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000567353305 354785789 /nfs/dbraw/zinc/78/57/89/354785789.db2.gz LMSBPFJQGPIAFF-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000567504150 354789278 /nfs/dbraw/zinc/78/92/78/354789278.db2.gz CWEKQRBXXVNBPU-LLVKDONJSA-N 2 1 280.376 -0.302 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000565255774 354734754 /nfs/dbraw/zinc/73/47/54/354734754.db2.gz UPHVZUMVDOKGGB-GRYCIOLGSA-N 2 1 280.372 -0.983 20 0 CBADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000565599312 354742310 /nfs/dbraw/zinc/74/23/10/354742310.db2.gz YSTHXGJUQKBDCN-CYBMUJFWSA-N 3 1 268.405 -0.260 20 0 CBADMP C[C@@H](C[NH3+])C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000567846475 354800813 /nfs/dbraw/zinc/80/08/13/354800813.db2.gz CVSIBTSOVNZDHU-HIFPTAJRSA-N 2 1 268.405 -0.086 20 0 CBADMP Cn1cc(C[C@H](CO)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cn1 ZINC000567874707 354802630 /nfs/dbraw/zinc/80/26/30/354802630.db2.gz UKFPOTQQYDTIOQ-DZGCQCFKSA-N 2 1 296.415 -0.384 20 0 CBADMP Cn1cc(C[C@H](CO)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000567874707 354802632 /nfs/dbraw/zinc/80/26/32/354802632.db2.gz UKFPOTQQYDTIOQ-DZGCQCFKSA-N 2 1 296.415 -0.384 20 0 CBADMP C[N@@H+](C[C@H](O)CN[C@@H](CO)C[NH+]1CCCC1)C1CC1 ZINC000567874438 354802773 /nfs/dbraw/zinc/80/27/73/354802773.db2.gz NQLGCIYXCDVRNL-TZMCWYRMSA-N 2 1 271.405 -0.512 20 0 CBADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000567888433 354803431 /nfs/dbraw/zinc/80/34/31/354803431.db2.gz FOCOAWUZNPMTRW-CYBMUJFWSA-N 3 1 268.405 -0.131 20 0 CBADMP [NH3+]CC[C@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000567888433 354803434 /nfs/dbraw/zinc/80/34/34/354803434.db2.gz FOCOAWUZNPMTRW-CYBMUJFWSA-N 2 1 268.405 -0.131 20 0 CBADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000567888433 354803438 /nfs/dbraw/zinc/80/34/38/354803438.db2.gz FOCOAWUZNPMTRW-CYBMUJFWSA-N 2 1 268.405 -0.131 20 0 CBADMP C[C@@H](C(=O)NCCCN1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000567885479 354803474 /nfs/dbraw/zinc/80/34/74/354803474.db2.gz UPKXKUVELGOHKJ-AWEZNQCLSA-N 2 1 297.447 -0.966 20 0 CBADMP CC[C@@H](CO)[NH+]1CCN(C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000568165674 354812199 /nfs/dbraw/zinc/81/21/99/354812199.db2.gz UHUNZDKEUAUYRM-KBPBESRZSA-N 2 1 273.421 -0.313 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)C1CCOCC1 ZINC000568166733 354812335 /nfs/dbraw/zinc/81/23/35/354812335.db2.gz RPOZAGVCACTOOQ-OLZOCXBDSA-N 2 1 260.378 -0.324 20 0 CBADMP C[NH+]1CCN(C(=O)CN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)CC1 ZINC000568178501 354813401 /nfs/dbraw/zinc/81/34/01/354813401.db2.gz QLESDJDHDGANBE-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP C[NH+]1CCN(C(=O)CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)CC1 ZINC000568178501 354813403 /nfs/dbraw/zinc/81/34/03/354813403.db2.gz QLESDJDHDGANBE-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP C[NH2+][C@@H](C)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000568233459 354817003 /nfs/dbraw/zinc/81/70/03/354817003.db2.gz PIDGTSVNQDJVLN-LBPRGKRZSA-N 2 1 270.421 -0.016 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000568866257 354833789 /nfs/dbraw/zinc/83/37/89/354833789.db2.gz GLPVHJQWXWAMJU-VXGBXAGGSA-N 2 1 283.372 -0.451 20 0 CBADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000568270105 354819548 /nfs/dbraw/zinc/81/95/48/354819548.db2.gz PFQHLVFBZGLVKW-CYBMUJFWSA-N 2 1 268.405 -0.308 20 0 CBADMP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000568270105 354819551 /nfs/dbraw/zinc/81/95/51/354819551.db2.gz PFQHLVFBZGLVKW-CYBMUJFWSA-N 3 1 268.405 -0.308 20 0 CBADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000568270105 354819552 /nfs/dbraw/zinc/81/95/52/354819552.db2.gz PFQHLVFBZGLVKW-CYBMUJFWSA-N 3 1 268.405 -0.308 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000568866257 354833793 /nfs/dbraw/zinc/83/37/93/354833793.db2.gz GLPVHJQWXWAMJU-VXGBXAGGSA-N 2 1 283.372 -0.451 20 0 CBADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000568609401 354827413 /nfs/dbraw/zinc/82/74/13/354827413.db2.gz YPIAKEBOFPRJPJ-CHWSQXEVSA-N 2 1 283.420 -0.374 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H](N)CC(=O)OC)CC1 ZINC000568760082 354832042 /nfs/dbraw/zinc/83/20/42/354832042.db2.gz JQRPAJNGWDHXAC-NSHDSACASA-N 2 1 287.360 -0.943 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000568760082 354832049 /nfs/dbraw/zinc/83/20/49/354832049.db2.gz JQRPAJNGWDHXAC-NSHDSACASA-N 2 1 287.360 -0.943 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000568777410 354832555 /nfs/dbraw/zinc/83/25/55/354832555.db2.gz OSJKBRHWKKKPBU-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000568777410 354832558 /nfs/dbraw/zinc/83/25/58/354832558.db2.gz OSJKBRHWKKKPBU-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000568777410 354832561 /nfs/dbraw/zinc/83/25/61/354832561.db2.gz OSJKBRHWKKKPBU-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000568777410 354832565 /nfs/dbraw/zinc/83/25/65/354832565.db2.gz OSJKBRHWKKKPBU-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000567711016 354794401 /nfs/dbraw/zinc/79/44/01/354794401.db2.gz XNYPIWFSLKGQPA-UKRRQHHQSA-N 2 1 283.416 -0.081 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000567765526 354796520 /nfs/dbraw/zinc/79/65/20/354796520.db2.gz ZEYPWXIBHJJEDF-XQQFMLRXSA-N 2 1 296.415 -0.312 20 0 CBADMP CN(C[C@H](O)C[NH2+][C@H](CO)Cc1cnn(C)c1)C1CC1 ZINC000570803385 354869795 /nfs/dbraw/zinc/86/97/95/354869795.db2.gz QMPGCQHSECWZAI-GXTWGEPZSA-N 2 1 282.388 -0.632 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)NCC[NH+]2CCC2)n1 ZINC000570983609 354874831 /nfs/dbraw/zinc/87/48/31/354874831.db2.gz NZEGYMCDKGSIPS-UHFFFAOYSA-N 2 1 265.361 -0.120 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)CC[C@H]1[NH3+] ZINC000571047358 354875981 /nfs/dbraw/zinc/87/59/81/354875981.db2.gz VAFLOCMOXHSTNJ-CHWSQXEVSA-N 3 1 268.405 -0.180 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC[C@H]1[NH3+] ZINC000571047358 354875987 /nfs/dbraw/zinc/87/59/87/354875987.db2.gz VAFLOCMOXHSTNJ-CHWSQXEVSA-N 3 1 268.405 -0.180 20 0 CBADMP C[C@@]1(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)CC[NH2+]C1 ZINC000568984825 354836256 /nfs/dbraw/zinc/83/62/56/354836256.db2.gz XAVLUZBLZWJZBJ-GMXVVIOVSA-N 2 1 253.346 -0.425 20 0 CBADMP C[C@@]1(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)CC[NH2+]C1 ZINC000568984825 354836261 /nfs/dbraw/zinc/83/62/61/354836261.db2.gz XAVLUZBLZWJZBJ-GMXVVIOVSA-N 2 1 253.346 -0.425 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000569101589 354838323 /nfs/dbraw/zinc/83/83/23/354838323.db2.gz ZKSAKUJTCYOVKU-LSJOCFKGSA-N 2 1 269.345 -0.524 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000569101589 354838324 /nfs/dbraw/zinc/83/83/24/354838324.db2.gz ZKSAKUJTCYOVKU-LSJOCFKGSA-N 2 1 269.345 -0.524 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](CCOCC[NH3+])C1)S(C)(=O)=O ZINC000569811290 354847352 /nfs/dbraw/zinc/84/73/52/354847352.db2.gz QLTRMGHLFFDNJL-GFCCVEGCSA-N 2 1 293.433 -0.435 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000569844850 354848541 /nfs/dbraw/zinc/84/85/41/354848541.db2.gz BVAFHRZNSLBNNL-OLZOCXBDSA-N 2 1 296.415 -0.003 20 0 CBADMP C[NH2+]CCC[N@@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000570093521 354853574 /nfs/dbraw/zinc/85/35/74/354853574.db2.gz UGGYKICBWCUCGH-JTQLQIEISA-N 2 1 267.333 -0.079 20 0 CBADMP C[NH2+]CCC[N@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000570093521 354853576 /nfs/dbraw/zinc/85/35/76/354853576.db2.gz UGGYKICBWCUCGH-JTQLQIEISA-N 2 1 267.333 -0.079 20 0 CBADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000570147394 354855526 /nfs/dbraw/zinc/85/55/26/354855526.db2.gz XFBDFNOQEFRYBC-STQMWFEESA-N 2 1 285.436 -0.001 20 0 CBADMP O=C(CCOC1C[NH2+]C1)NCC[N@H+]1CCCOCC1 ZINC000570567875 354864809 /nfs/dbraw/zinc/86/48/09/354864809.db2.gz YQETUFORBNRXMW-UHFFFAOYSA-N 2 1 271.361 -0.797 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000572242020 354889023 /nfs/dbraw/zinc/88/90/23/354889023.db2.gz VGEVKUFFFJFEIK-PWSUYJOCSA-N 2 1 259.325 -0.475 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000572291230 354890324 /nfs/dbraw/zinc/89/03/24/354890324.db2.gz FKSGHEFBBHGBMT-ZJUUUORDSA-N 2 1 257.334 -0.665 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000572291230 354890328 /nfs/dbraw/zinc/89/03/28/354890328.db2.gz FKSGHEFBBHGBMT-ZJUUUORDSA-N 2 1 257.334 -0.665 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000572494541 354892514 /nfs/dbraw/zinc/89/25/14/354892514.db2.gz YQLYEMSPDLFIGK-UTUOFQBUSA-N 2 1 257.378 -0.067 20 0 CBADMP C[C@@H]1C[C@H](C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[NH2+]1 ZINC000572498226 354893057 /nfs/dbraw/zinc/89/30/57/354893057.db2.gz MJWSVLXZXXXQBK-FVCCEPFGSA-N 3 1 266.389 -0.382 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000573019245 354904137 /nfs/dbraw/zinc/90/41/37/354904137.db2.gz RHPSFBWVRGDSOY-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](COCCOC)C1 ZINC000573126259 354905600 /nfs/dbraw/zinc/90/56/00/354905600.db2.gz MOMTZZWQKLPUKI-CHWSQXEVSA-N 2 1 260.378 -0.058 20 0 CBADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000573248730 354909062 /nfs/dbraw/zinc/90/90/62/354909062.db2.gz GLHNWZBGPQKABF-UONOGXRCSA-N 3 1 252.406 -0.035 20 0 CBADMP C([C@H]1CCC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000573248730 354909067 /nfs/dbraw/zinc/90/90/67/354909067.db2.gz GLHNWZBGPQKABF-UONOGXRCSA-N 2 1 252.406 -0.035 20 0 CBADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000573248731 354909433 /nfs/dbraw/zinc/90/94/33/354909433.db2.gz GLHNWZBGPQKABF-ZIAGYGMSSA-N 3 1 252.406 -0.035 20 0 CBADMP C([C@@H]1CCC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000573248731 354909436 /nfs/dbraw/zinc/90/94/36/354909436.db2.gz GLHNWZBGPQKABF-ZIAGYGMSSA-N 2 1 252.406 -0.035 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000573594027 354915998 /nfs/dbraw/zinc/91/59/98/354915998.db2.gz IDQRLLBVILRGDO-CYBMUJFWSA-N 2 1 294.399 -0.367 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CCC(N)=O ZINC000571874835 354882199 /nfs/dbraw/zinc/88/21/99/354882199.db2.gz FOTIFSTZYBDGJF-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CCC(N)=O ZINC000571874835 354882201 /nfs/dbraw/zinc/88/22/01/354882201.db2.gz FOTIFSTZYBDGJF-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@]23CCNC3=O)CC1 ZINC000573711634 354919860 /nfs/dbraw/zinc/91/98/60/354919860.db2.gz UDRRKVRUCIUPKU-HNNXBMFYSA-N 2 1 294.399 -0.495 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@]23CCNC3=O)CC1 ZINC000573711634 354919863 /nfs/dbraw/zinc/91/98/63/354919863.db2.gz UDRRKVRUCIUPKU-HNNXBMFYSA-N 2 1 294.399 -0.495 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000573743666 354920974 /nfs/dbraw/zinc/92/09/74/354920974.db2.gz XJQWQXRIPOZEAQ-QWRGUYRKSA-N 2 1 256.350 -0.632 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000573864607 354923755 /nfs/dbraw/zinc/92/37/55/354923755.db2.gz RNMUARUDDYYJMU-GARJFASQSA-N 2 1 280.372 -0.794 20 0 CBADMP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)CN1CCOCC1 ZINC000574191823 354930575 /nfs/dbraw/zinc/93/05/75/354930575.db2.gz IXMPADNZMJENTL-ZFWWWQNUSA-N 2 1 285.432 -0.001 20 0 CBADMP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)CN1CCOCC1 ZINC000574191823 354930577 /nfs/dbraw/zinc/93/05/77/354930577.db2.gz IXMPADNZMJENTL-ZFWWWQNUSA-N 2 1 285.432 -0.001 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000578194407 354940584 /nfs/dbraw/zinc/94/05/84/354940584.db2.gz XXVPLWNOVLECCG-UTUOFQBUSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000578194407 354940589 /nfs/dbraw/zinc/94/05/89/354940589.db2.gz XXVPLWNOVLECCG-UTUOFQBUSA-N 2 1 283.372 -0.181 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000578227295 354941574 /nfs/dbraw/zinc/94/15/74/354941574.db2.gz VNJKIRRQWZLIGA-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)C[NH+]1CCOCC1 ZINC000578326506 354944254 /nfs/dbraw/zinc/94/42/54/354944254.db2.gz YWETXXIXYKMKCF-SCRDCRAPSA-N 2 1 267.373 -0.177 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000578357101 354945257 /nfs/dbraw/zinc/94/52/57/354945257.db2.gz VHVYZOGZHRHMPP-DTWKUNHWSA-N 2 1 265.304 -0.194 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000578357101 354945261 /nfs/dbraw/zinc/94/52/61/354945261.db2.gz VHVYZOGZHRHMPP-DTWKUNHWSA-N 2 1 265.304 -0.194 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)COC2C[NH2+]C2)C1 ZINC000578627949 354950473 /nfs/dbraw/zinc/95/04/73/354950473.db2.gz SRYNVPNWEBBSND-AAEUAGOBSA-N 2 1 267.373 -0.083 20 0 CBADMP CCN(C)C(=O)CC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000578771159 354954885 /nfs/dbraw/zinc/95/48/85/354954885.db2.gz VVIFCBMOQKLWGJ-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)[C@H]2C1 ZINC000579105936 354962200 /nfs/dbraw/zinc/96/22/00/354962200.db2.gz KEBFAMPCMXKVPV-UPJWGTAASA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@H]1[NH3+] ZINC000579109845 354962465 /nfs/dbraw/zinc/96/24/65/354962465.db2.gz RBEKXRRXEOJBCD-DGCLKSJQSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579122741 354963383 /nfs/dbraw/zinc/96/33/83/354963383.db2.gz KTXVMFDBACACNZ-QWHCGFSZSA-N 2 1 268.405 -0.180 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000579122741 354963385 /nfs/dbraw/zinc/96/33/85/354963385.db2.gz KTXVMFDBACACNZ-QWHCGFSZSA-N 3 1 268.405 -0.180 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000579122741 354963387 /nfs/dbraw/zinc/96/33/87/354963387.db2.gz KTXVMFDBACACNZ-QWHCGFSZSA-N 3 1 268.405 -0.180 20 0 CBADMP CCC[NH2+][C@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000579828682 354979990 /nfs/dbraw/zinc/97/99/90/354979990.db2.gz JOUBJVHBRUEQIN-NEPJUHHUSA-N 2 1 256.394 -0.264 20 0 CBADMP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000579828684 354980013 /nfs/dbraw/zinc/98/00/13/354980013.db2.gz JOUBJVHBRUEQIN-RYUDHWBXSA-N 2 1 256.394 -0.264 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000579838745 354980994 /nfs/dbraw/zinc/98/09/94/354980994.db2.gz VMFOQYRZBMFRSH-GFCCVEGCSA-N 2 1 282.388 -0.782 20 0 CBADMP C[N@@H+](CCNC(=O)c1cn(CCC[NH3+])nn1)C1CC1 ZINC000579946300 354982732 /nfs/dbraw/zinc/98/27/32/354982732.db2.gz HMSJANAKZDCELX-UHFFFAOYSA-N 2 1 266.349 -0.549 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000579942946 354983151 /nfs/dbraw/zinc/98/31/51/354983151.db2.gz XLNYSSGKZSFJSF-MNOVXSKESA-N 2 1 265.361 -0.252 20 0 CBADMP CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@H](C[NH3+])C1 ZINC000580299703 354991472 /nfs/dbraw/zinc/99/14/72/354991472.db2.gz DHRGMMDAFRKWAC-MCIONIFRSA-N 2 1 295.431 -0.103 20 0 CBADMP CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H](C[NH3+])C1 ZINC000580299704 354991814 /nfs/dbraw/zinc/99/18/14/354991814.db2.gz DHRGMMDAFRKWAC-MGPQQGTHSA-N 2 1 295.431 -0.103 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000580336381 354993693 /nfs/dbraw/zinc/99/36/93/354993693.db2.gz KIGBDXYPPWDZKH-NWDGAFQWSA-N 2 1 253.350 -0.115 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000580336381 354993696 /nfs/dbraw/zinc/99/36/96/354993696.db2.gz KIGBDXYPPWDZKH-NWDGAFQWSA-N 2 1 253.350 -0.115 20 0 CBADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000580413270 354995406 /nfs/dbraw/zinc/99/54/06/354995406.db2.gz AYWHJTRLRNQLEA-NEPJUHHUSA-N 2 1 270.377 -0.290 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000584466796 355029891 /nfs/dbraw/zinc/02/98/91/355029891.db2.gz LYSRTRHHYHKRMY-LLVKDONJSA-N 2 1 280.376 -0.159 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000584349876 355029990 /nfs/dbraw/zinc/02/99/90/355029990.db2.gz XJBMAWCCAMILIZ-RWMBFGLXSA-N 2 1 285.388 -0.280 20 0 CBADMP CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000584519395 355031377 /nfs/dbraw/zinc/03/13/77/355031377.db2.gz HMVKFYNNQVCAMP-YPMHNXCESA-N 2 1 281.404 -0.493 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CCC1(O)CCOCC1)C1CC1 ZINC000584586602 355032199 /nfs/dbraw/zinc/03/21/99/355032199.db2.gz LNQIERDXZHHOQO-CYBMUJFWSA-N 2 1 272.389 -0.037 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CCC1(O)CCOCC1)C1CC1 ZINC000584586602 355032200 /nfs/dbraw/zinc/03/22/00/355032200.db2.gz LNQIERDXZHHOQO-CYBMUJFWSA-N 2 1 272.389 -0.037 20 0 CBADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC(C)C1)C(=O)NCC[NH+](C)C ZINC000584539237 355032223 /nfs/dbraw/zinc/03/22/23/355032223.db2.gz MZDMRTSQEJRSID-RYUDHWBXSA-N 2 1 284.404 -0.491 20 0 CBADMP [NH3+]CC1(CC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000584587302 355032788 /nfs/dbraw/zinc/03/27/88/355032788.db2.gz BAMGOLZCKLGOST-UHFFFAOYSA-N 2 1 255.362 -0.046 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000584766094 355037133 /nfs/dbraw/zinc/03/71/33/355037133.db2.gz KDZIMXDRKMWMRM-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@@H](C)CN1 ZINC000582062567 355006628 /nfs/dbraw/zinc/00/66/28/355006628.db2.gz OWSSRWMQDUEHGG-FRRDWIJNSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@@H](C)CN1 ZINC000582062567 355006631 /nfs/dbraw/zinc/00/66/31/355006631.db2.gz OWSSRWMQDUEHGG-FRRDWIJNSA-N 2 1 268.405 -0.134 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000582073160 355007053 /nfs/dbraw/zinc/00/70/53/355007053.db2.gz UXJICUOTBMHAJY-QWHCGFSZSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000582410569 355015696 /nfs/dbraw/zinc/01/56/96/355015696.db2.gz ZBTGSDNSVBYFQR-WZRBSPASSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000582410567 355015754 /nfs/dbraw/zinc/01/57/54/355015754.db2.gz ZBTGSDNSVBYFQR-NQBHXWOUSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000583500314 355018187 /nfs/dbraw/zinc/01/81/87/355018187.db2.gz SZTNPFRYJUWVBV-AXFHLTTASA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000583565404 355020311 /nfs/dbraw/zinc/02/03/11/355020311.db2.gz KFCQDXKIJQYSLK-RYUDHWBXSA-N 3 1 254.378 -0.523 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000583565404 355020315 /nfs/dbraw/zinc/02/03/15/355020315.db2.gz KFCQDXKIJQYSLK-RYUDHWBXSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000583565404 355020320 /nfs/dbraw/zinc/02/03/20/355020320.db2.gz KFCQDXKIJQYSLK-RYUDHWBXSA-N 2 1 254.378 -0.523 20 0 CBADMP CCC[C@@H]1CN(C(=O)[C@H](C[NH3+])OC)CC[N@H+]1CCOC ZINC000583633820 355022060 /nfs/dbraw/zinc/02/20/60/355022060.db2.gz YCLKIDPREAJQFE-OLZOCXBDSA-N 2 1 287.404 -0.081 20 0 CBADMP CCC[C@H]1CN(C(=O)[C@@H](C[NH3+])OC)CC[N@H+]1CCOC ZINC000583633821 355022699 /nfs/dbraw/zinc/02/26/99/355022699.db2.gz YCLKIDPREAJQFE-QWHCGFSZSA-N 2 1 287.404 -0.081 20 0 CBADMP CSC[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000591734985 355112239 /nfs/dbraw/zinc/11/22/39/355112239.db2.gz FYAOQXGFEHITEZ-RYUDHWBXSA-N 2 1 289.445 -0.113 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C)C1 ZINC000592564477 355165414 /nfs/dbraw/zinc/16/54/14/355165414.db2.gz LYMFRDRKYPIASC-CIQGVGRVSA-N 2 1 295.383 -0.452 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C)C1 ZINC000592564477 355165418 /nfs/dbraw/zinc/16/54/18/355165418.db2.gz LYMFRDRKYPIASC-CIQGVGRVSA-N 2 1 295.383 -0.452 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)COCC[NH3+])C[C@@H]1C ZINC000592566018 355165472 /nfs/dbraw/zinc/16/54/72/355165472.db2.gz JCGPWKBMYCNXFP-NSHDSACASA-N 2 1 287.360 -0.943 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)COCC[NH3+])C[C@@H]1C ZINC000592566018 355165476 /nfs/dbraw/zinc/16/54/76/355165476.db2.gz JCGPWKBMYCNXFP-NSHDSACASA-N 2 1 287.360 -0.943 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000592040394 355127311 /nfs/dbraw/zinc/12/73/11/355127311.db2.gz DRKLADYIPGJMHZ-RYUDHWBXSA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000592070714 355128552 /nfs/dbraw/zinc/12/85/52/355128552.db2.gz PEWPEQORQXHJOO-JTQLQIEISA-N 2 1 283.332 -0.726 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000592135925 355133141 /nfs/dbraw/zinc/13/31/41/355133141.db2.gz YKNUGSXOLJMUBO-VXGBXAGGSA-N 2 1 283.372 -0.133 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000592285055 355146414 /nfs/dbraw/zinc/14/64/14/355146414.db2.gz YVYXEWLIIWJFKU-JTQLQIEISA-N 2 1 251.286 -0.026 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000592471535 355155361 /nfs/dbraw/zinc/15/53/61/355155361.db2.gz YDWADRDPFPONDJ-JTQLQIEISA-N 2 1 257.334 -0.712 20 0 CBADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472040 355155450 /nfs/dbraw/zinc/15/54/50/355155450.db2.gz FGSXEGDFLIJLPR-NSHDSACASA-N 2 1 297.403 -0.800 20 0 CBADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472040 355155453 /nfs/dbraw/zinc/15/54/53/355155453.db2.gz FGSXEGDFLIJLPR-NSHDSACASA-N 2 1 297.403 -0.800 20 0 CBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472038 355155585 /nfs/dbraw/zinc/15/55/85/355155585.db2.gz FGSXEGDFLIJLPR-LLVKDONJSA-N 2 1 297.403 -0.800 20 0 CBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472038 355155589 /nfs/dbraw/zinc/15/55/89/355155589.db2.gz FGSXEGDFLIJLPR-LLVKDONJSA-N 2 1 297.403 -0.800 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[NH+](C)C ZINC000592472225 355155654 /nfs/dbraw/zinc/15/56/54/355155654.db2.gz XZQFITAJCHELBK-CYBMUJFWSA-N 2 1 285.436 -0.127 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592489099 355157182 /nfs/dbraw/zinc/15/71/82/355157182.db2.gz GSEMNLKPMRNYEZ-LBPRGKRZSA-N 2 1 254.334 -0.353 20 0 CBADMP COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)nn1 ZINC000592495587 355158190 /nfs/dbraw/zinc/15/81/90/355158190.db2.gz MOQSKUGIENLOAR-WDEREUQCSA-N 2 1 279.344 -0.079 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[N@@H+](C)C(C)C ZINC000592962413 355187378 /nfs/dbraw/zinc/18/73/78/355187378.db2.gz FCNAMSGDFCDCLB-NSHDSACASA-N 2 1 271.361 -0.310 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594885731 355268248 /nfs/dbraw/zinc/26/82/48/355268248.db2.gz HMJKDVSWWDUIJT-GRYCIOLGSA-N 2 1 280.372 -0.759 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595862371 355312731 /nfs/dbraw/zinc/31/27/31/355312731.db2.gz BATFJUZUTYXRNG-GFCCVEGCSA-N 2 1 298.387 -0.637 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595862371 355312732 /nfs/dbraw/zinc/31/27/32/355312732.db2.gz BATFJUZUTYXRNG-GFCCVEGCSA-N 2 1 298.387 -0.637 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000595894977 355315387 /nfs/dbraw/zinc/31/53/87/355315387.db2.gz ZTEQTKJEGYCKPE-MNOVXSKESA-N 2 1 269.345 -0.569 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000595894977 355315392 /nfs/dbraw/zinc/31/53/92/355315392.db2.gz ZTEQTKJEGYCKPE-MNOVXSKESA-N 2 1 269.345 -0.569 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595938338 355321543 /nfs/dbraw/zinc/32/15/43/355321543.db2.gz OKBZPGDUMAZFHV-ZJUUUORDSA-N 2 1 271.361 -0.134 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595938338 355321546 /nfs/dbraw/zinc/32/15/46/355321546.db2.gz OKBZPGDUMAZFHV-ZJUUUORDSA-N 2 1 271.361 -0.134 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CC2([NH3+])CC2)[C@H](C)C1 ZINC000595957498 355328570 /nfs/dbraw/zinc/32/85/70/355328570.db2.gz VCMBBHZLGDWPFD-LLVKDONJSA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)CC2([NH3+])CC2)[C@H](C)C1 ZINC000595957498 355328573 /nfs/dbraw/zinc/32/85/73/355328573.db2.gz VCMBBHZLGDWPFD-LLVKDONJSA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000595957010 355328828 /nfs/dbraw/zinc/32/88/28/355328828.db2.gz SNOJICQFRHGDDV-LLVKDONJSA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420312010 291065466 /nfs/dbraw/zinc/06/54/66/291065466.db2.gz HNDHMEXANOBMEY-WDEREUQCSA-N 2 1 271.361 -0.323 20 0 CBADMP CCn1nccc1CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000598681564 355449946 /nfs/dbraw/zinc/44/99/46/355449946.db2.gz GXFQJRQJFXJBNZ-QWHCGFSZSA-N 2 1 277.372 -0.311 20 0 CBADMP CCn1nccc1CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000598681564 355449947 /nfs/dbraw/zinc/44/99/47/355449947.db2.gz GXFQJRQJFXJBNZ-QWHCGFSZSA-N 2 1 277.372 -0.311 20 0 CBADMP COC(=O)CCNC(=O)CC[NH2+]C1CC[NH+](C)CC1 ZINC000599009115 355459365 /nfs/dbraw/zinc/45/93/65/355459365.db2.gz RIQOZBLAYSJOET-UHFFFAOYSA-N 2 1 271.361 -0.260 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000601269995 355582652 /nfs/dbraw/zinc/58/26/52/355582652.db2.gz JERJPFGYESBDKR-STQMWFEESA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000601269995 355582654 /nfs/dbraw/zinc/58/26/54/355582654.db2.gz JERJPFGYESBDKR-STQMWFEESA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000601269995 355582657 /nfs/dbraw/zinc/58/26/57/355582657.db2.gz JERJPFGYESBDKR-STQMWFEESA-N 2 1 283.420 -0.374 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH2+]C ZINC000600729357 355563124 /nfs/dbraw/zinc/56/31/24/355563124.db2.gz FLRQPBZLNVFWHQ-JTQLQIEISA-N 2 1 274.365 -0.612 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000600737709 355563865 /nfs/dbraw/zinc/56/38/65/355563865.db2.gz WMVGVAYVTVYOMO-GRYCIOLGSA-N 2 1 256.346 -0.016 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000600970531 355572131 /nfs/dbraw/zinc/57/21/31/355572131.db2.gz YKISRMXCSDIPPI-LBPRGKRZSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000600970531 355572135 /nfs/dbraw/zinc/57/21/35/355572135.db2.gz YKISRMXCSDIPPI-LBPRGKRZSA-N 2 1 266.389 -0.413 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000601026910 355576832 /nfs/dbraw/zinc/57/68/32/355576832.db2.gz ZRPKEYGWJLKZQB-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000601026910 355576837 /nfs/dbraw/zinc/57/68/37/355576837.db2.gz ZRPKEYGWJLKZQB-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000601026910 355576842 /nfs/dbraw/zinc/57/68/42/355576842.db2.gz ZRPKEYGWJLKZQB-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000602751276 355670848 /nfs/dbraw/zinc/67/08/48/355670848.db2.gz XDPAJHJDMHWBLT-SNVBAGLBSA-N 2 1 271.361 -0.262 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000602751276 355670851 /nfs/dbraw/zinc/67/08/51/355670851.db2.gz XDPAJHJDMHWBLT-SNVBAGLBSA-N 2 1 271.361 -0.262 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000602501681 355654835 /nfs/dbraw/zinc/65/48/35/355654835.db2.gz DZAOSOVKBQJMFS-NTZNESFSSA-N 2 1 299.371 -0.802 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000602523697 355657262 /nfs/dbraw/zinc/65/72/62/355657262.db2.gz HMJKDVSWWDUIJT-SRVKXCTJSA-N 2 1 280.372 -0.759 20 0 CBADMP C[N@@H+](CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)CC(C)(C)C ZINC000602523805 355657310 /nfs/dbraw/zinc/65/73/10/355657310.db2.gz IGEGCZURTXTLRE-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[N@@H+](CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)CC(C)(C)C ZINC000602523799 355657656 /nfs/dbraw/zinc/65/76/56/355657656.db2.gz IGEGCZURTXTLRE-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[N@@H+](C)C1 ZINC000602165386 355636982 /nfs/dbraw/zinc/63/69/82/355636982.db2.gz ZXTTZOUDVPPMMO-LBPRGKRZSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)CCNC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603432392 355715450 /nfs/dbraw/zinc/71/54/50/355715450.db2.gz HYJFBROMZIZUFH-RKDXNWHRSA-N 2 1 257.334 -0.619 20 0 CBADMP COC(=O)CCN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000603434027 355716300 /nfs/dbraw/zinc/71/63/00/355716300.db2.gz OUEOCKNFBGROEK-GARJFASQSA-N 2 1 283.372 -0.134 20 0 CBADMP CCNC(=O)CN(C)CC(C)C[N@@H+](C)CC(=O)NCC ZINC000605576016 355735404 /nfs/dbraw/zinc/73/54/04/355735404.db2.gz VVJWOFHUNZMXKM-UHFFFAOYSA-N 2 1 286.420 -0.242 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000606371343 355739412 /nfs/dbraw/zinc/73/94/12/355739412.db2.gz MVZYJRXLTFKTSJ-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000606371343 355739415 /nfs/dbraw/zinc/73/94/15/355739415.db2.gz MVZYJRXLTFKTSJ-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[N@H+](CCCS(N)(=O)=O)C[C@H]1CCC[NH+](C)C1 ZINC000607358130 355747584 /nfs/dbraw/zinc/74/75/84/355747584.db2.gz AZKVFXMNGICZBT-NSHDSACASA-N 2 1 263.407 -0.061 20 0 CBADMP C[N@@H+](CCCS(N)(=O)=O)C[C@H]1CCC[NH+](C)C1 ZINC000607358130 355747588 /nfs/dbraw/zinc/74/75/88/355747588.db2.gz AZKVFXMNGICZBT-NSHDSACASA-N 2 1 263.407 -0.061 20 0 CBADMP C[NH+](CCCS(N)(=O)=O)C[C@H]1CCC[N@H+](C)C1 ZINC000607358130 355747593 /nfs/dbraw/zinc/74/75/93/355747593.db2.gz AZKVFXMNGICZBT-NSHDSACASA-N 2 1 263.407 -0.061 20 0 CBADMP C[NH+](CCCS(N)(=O)=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358130 355747595 /nfs/dbraw/zinc/74/75/95/355747595.db2.gz AZKVFXMNGICZBT-NSHDSACASA-N 2 1 263.407 -0.061 20 0 CBADMP COCCC[N@H+](C)CCNC(=O)CN1CC[NH+](C)CC1 ZINC000608447938 355760151 /nfs/dbraw/zinc/76/01/51/355760151.db2.gz CTPDUIXBDHPTCK-UHFFFAOYSA-N 2 1 286.420 -0.682 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)CN1CC[NH+](C)CC1 ZINC000608447938 355760154 /nfs/dbraw/zinc/76/01/54/355760154.db2.gz CTPDUIXBDHPTCK-UHFFFAOYSA-N 2 1 286.420 -0.682 20 0 CBADMP CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000604751985 355728891 /nfs/dbraw/zinc/72/88/91/355728891.db2.gz MMFDJQMKKFFHRL-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000604751985 355728896 /nfs/dbraw/zinc/72/88/96/355728896.db2.gz MMFDJQMKKFFHRL-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000604751985 355728899 /nfs/dbraw/zinc/72/88/99/355728899.db2.gz MMFDJQMKKFFHRL-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000604751985 355728902 /nfs/dbraw/zinc/72/89/02/355728902.db2.gz MMFDJQMKKFFHRL-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000612546193 355840389 /nfs/dbraw/zinc/84/03/89/355840389.db2.gz PSIWGSYJWQDVNR-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000612550941 355840502 /nfs/dbraw/zinc/84/05/02/355840502.db2.gz KENPVMRJSZBNOW-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000612550941 355840503 /nfs/dbraw/zinc/84/05/03/355840503.db2.gz KENPVMRJSZBNOW-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000612550941 355840504 /nfs/dbraw/zinc/84/05/04/355840504.db2.gz KENPVMRJSZBNOW-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000612550938 355840548 /nfs/dbraw/zinc/84/05/48/355840548.db2.gz KENPVMRJSZBNOW-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000612550938 355840550 /nfs/dbraw/zinc/84/05/50/355840550.db2.gz KENPVMRJSZBNOW-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000612550938 355840552 /nfs/dbraw/zinc/84/05/52/355840552.db2.gz KENPVMRJSZBNOW-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@]1(NC(=O)NCCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000612866428 355853100 /nfs/dbraw/zinc/85/31/00/355853100.db2.gz UBBLHLYEWRLINP-CYBMUJFWSA-N 2 1 270.377 -0.240 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612881189 355854894 /nfs/dbraw/zinc/85/48/94/355854894.db2.gz ZCWFOJLJXKIHHK-YPMHNXCESA-N 2 1 269.393 -0.717 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612979882 355858737 /nfs/dbraw/zinc/85/87/37/355858737.db2.gz KGQPABIKCCKETF-GFCCVEGCSA-N 2 1 284.404 -0.258 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000614068036 355933292 /nfs/dbraw/zinc/93/32/92/355933292.db2.gz KRVXDWUPKNUVAE-HIFRSBDPSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000614068036 355933295 /nfs/dbraw/zinc/93/32/95/355933295.db2.gz KRVXDWUPKNUVAE-HIFRSBDPSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000614068035 355933331 /nfs/dbraw/zinc/93/33/31/355933331.db2.gz KRVXDWUPKNUVAE-DZGCQCFKSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000614068035 355933333 /nfs/dbraw/zinc/93/33/33/355933333.db2.gz KRVXDWUPKNUVAE-DZGCQCFKSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000614065613 355933337 /nfs/dbraw/zinc/93/33/37/355933337.db2.gz QTVDELQSKGJEGS-GXTWGEPZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000614065614 355933340 /nfs/dbraw/zinc/93/33/40/355933340.db2.gz QTVDELQSKGJEGS-JSGCOSHPSA-N 2 1 269.389 -0.147 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614854791 355991912 /nfs/dbraw/zinc/99/19/12/355991912.db2.gz SJYICNHTJBHCSB-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000614506101 355965684 /nfs/dbraw/zinc/96/56/84/355965684.db2.gz VWOOLXIMVJWNIL-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000614506101 355965688 /nfs/dbraw/zinc/96/56/88/355965688.db2.gz VWOOLXIMVJWNIL-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000614506101 355965690 /nfs/dbraw/zinc/96/56/90/355965690.db2.gz VWOOLXIMVJWNIL-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000614514264 355968035 /nfs/dbraw/zinc/96/80/35/355968035.db2.gz KWLNETLBJYVREM-LBPRGKRZSA-N 2 1 266.389 -0.413 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000615146917 356012319 /nfs/dbraw/zinc/01/23/19/356012319.db2.gz XQQWGWSDFIZBRI-ZDUSSCGKSA-N 2 1 267.373 -0.129 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000615146917 356012323 /nfs/dbraw/zinc/01/23/23/356012323.db2.gz XQQWGWSDFIZBRI-ZDUSSCGKSA-N 2 1 267.373 -0.129 20 0 CBADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000615307077 356020346 /nfs/dbraw/zinc/02/03/46/356020346.db2.gz CRVXOXHITCGQLE-OLZOCXBDSA-N 2 1 268.405 -0.215 20 0 CBADMP CC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617503554 356139657 /nfs/dbraw/zinc/13/96/57/356139657.db2.gz OFTKDFAHZJTVQQ-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617503554 356139658 /nfs/dbraw/zinc/13/96/58/356139658.db2.gz OFTKDFAHZJTVQQ-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCN(C)C1=O ZINC000617507038 356139679 /nfs/dbraw/zinc/13/96/79/356139679.db2.gz GAIFGFSPTQFYIJ-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCN(C)C1=O ZINC000617507038 356139681 /nfs/dbraw/zinc/13/96/81/356139681.db2.gz GAIFGFSPTQFYIJ-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CNC(=O)C1CC1 ZINC000617504704 356139897 /nfs/dbraw/zinc/13/98/97/356139897.db2.gz GTKMRWKTKUGMAM-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CNC(=O)C1CC1 ZINC000617504704 356139900 /nfs/dbraw/zinc/13/99/00/356139900.db2.gz GTKMRWKTKUGMAM-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000619898072 356229892 /nfs/dbraw/zinc/22/98/92/356229892.db2.gz QFRSMCCAHRWQOY-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000619898072 356229893 /nfs/dbraw/zinc/22/98/93/356229893.db2.gz QFRSMCCAHRWQOY-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000619898072 356229894 /nfs/dbraw/zinc/22/98/94/356229894.db2.gz QFRSMCCAHRWQOY-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000618308377 356186831 /nfs/dbraw/zinc/18/68/31/356186831.db2.gz IIKZNVXYQBKSHO-CYBMUJFWSA-N 2 1 298.431 -0.193 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC[NH2+]1 ZINC000621155558 356257497 /nfs/dbraw/zinc/25/74/97/356257497.db2.gz HYSWUVLDEKWQEI-UONOGXRCSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621699004 356281694 /nfs/dbraw/zinc/28/16/94/356281694.db2.gz JXZAUKGLGMOAMX-BLFANLJRSA-N 2 1 253.346 -0.297 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000620482990 356244737 /nfs/dbraw/zinc/24/47/37/356244737.db2.gz WKUCQCRQXJVYGA-UONOGXRCSA-N 2 1 297.399 -0.625 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000620482990 356244740 /nfs/dbraw/zinc/24/47/40/356244740.db2.gz WKUCQCRQXJVYGA-UONOGXRCSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000620482990 356244743 /nfs/dbraw/zinc/24/47/43/356244743.db2.gz WKUCQCRQXJVYGA-UONOGXRCSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000620482990 356244746 /nfs/dbraw/zinc/24/47/46/356244746.db2.gz WKUCQCRQXJVYGA-UONOGXRCSA-N 2 1 297.399 -0.625 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000620482989 356244884 /nfs/dbraw/zinc/24/48/84/356244884.db2.gz WKUCQCRQXJVYGA-KGLIPLIRSA-N 2 1 297.399 -0.625 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000620482989 356244889 /nfs/dbraw/zinc/24/48/89/356244889.db2.gz WKUCQCRQXJVYGA-KGLIPLIRSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000620482989 356244893 /nfs/dbraw/zinc/24/48/93/356244893.db2.gz WKUCQCRQXJVYGA-KGLIPLIRSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000620482989 356244896 /nfs/dbraw/zinc/24/48/96/356244896.db2.gz WKUCQCRQXJVYGA-KGLIPLIRSA-N 2 1 297.399 -0.625 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)C1CC1 ZINC000621839032 356288945 /nfs/dbraw/zinc/28/89/45/356288945.db2.gz MWLGLXLBHQYBGL-XHDPSFHLSA-N 2 1 294.399 -0.463 20 0 CBADMP C[NH+](C)CC(C)(C)NC(=O)CN1CC[NH+](C)CC1 ZINC000622098981 356306360 /nfs/dbraw/zinc/30/63/60/356306360.db2.gz YXXSBQXWFDDYJW-UHFFFAOYSA-N 2 1 256.394 -0.310 20 0 CBADMP C[C@@H]1C[N@@H+](CCCNc2nc(N)[nH+]c(N)n2)CCCO1 ZINC000624158546 356399788 /nfs/dbraw/zinc/39/97/88/356399788.db2.gz DTQBZCNHPDCDIW-SECBINFHSA-N 2 1 281.364 -0.969 20 0 CBADMP CC(C)[NH+]1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000623810329 356377022 /nfs/dbraw/zinc/37/70/22/356377022.db2.gz TVISCYUHIABLLY-UHFFFAOYSA-N 2 1 251.338 -0.597 20 0 CBADMP C[C@@H](CNc1nc(N)[nH+]c(N)n1)[N@H+]1CCCC[C@@H]1C ZINC000623857271 356379375 /nfs/dbraw/zinc/37/93/75/356379375.db2.gz LKTGRIOELRAFHG-IUCAKERBSA-N 2 1 265.365 -0.207 20 0 CBADMP Nc1nc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)nc(N)[nH+]1 ZINC000623846250 356379601 /nfs/dbraw/zinc/37/96/01/356379601.db2.gz PYXGIYIQTBCRJU-JTQLQIEISA-N 2 1 293.375 -0.612 20 0 CBADMP CC(C)[N@H+]1CCC[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623907944 356381554 /nfs/dbraw/zinc/38/15/54/356381554.db2.gz JNQKDBLPIZVZGL-SECBINFHSA-N 2 1 265.365 -0.349 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623907944 356381556 /nfs/dbraw/zinc/38/15/56/356381556.db2.gz JNQKDBLPIZVZGL-SECBINFHSA-N 2 1 265.365 -0.349 20 0 CBADMP CC(C)[N@H+]1CCC[C@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623907944 356381557 /nfs/dbraw/zinc/38/15/57/356381557.db2.gz JNQKDBLPIZVZGL-SECBINFHSA-N 2 1 265.365 -0.349 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000623961099 356385280 /nfs/dbraw/zinc/38/52/80/356385280.db2.gz SKUCODIZRWINRG-QMMMGPOBSA-N 2 1 251.338 -0.595 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)c2nc(N)[nH+]c(N)n2)[C@H](C)C1 ZINC000623991414 356386231 /nfs/dbraw/zinc/38/62/31/356386231.db2.gz HCAOEBNALRBSSK-BDAKNGLRSA-N 2 1 265.365 -0.137 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)c2nc(N)[nH+]c(N)n2)[C@@H](C)C1 ZINC000623991415 356386312 /nfs/dbraw/zinc/38/63/12/356386312.db2.gz HCAOEBNALRBSSK-DTWKUNHWSA-N 2 1 265.365 -0.137 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624005567 356388339 /nfs/dbraw/zinc/38/83/39/356388339.db2.gz UZCKYJXWFAZLTK-VIFPVBQESA-N 2 1 265.365 -0.135 20 0 CBADMP CCC[N@H+](C)C[C@@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624005567 356388342 /nfs/dbraw/zinc/38/83/42/356388342.db2.gz UZCKYJXWFAZLTK-VIFPVBQESA-N 2 1 265.365 -0.135 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624005567 356388345 /nfs/dbraw/zinc/38/83/45/356388345.db2.gz UZCKYJXWFAZLTK-VIFPVBQESA-N 2 1 265.365 -0.135 20 0 CBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624011737 356389057 /nfs/dbraw/zinc/38/90/57/356389057.db2.gz HPYKJQVPLOCWPQ-JTQLQIEISA-N 2 1 277.376 -0.135 20 0 CBADMP C[N@H+](CC1CC1)C[C@@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624011737 356389058 /nfs/dbraw/zinc/38/90/58/356389058.db2.gz HPYKJQVPLOCWPQ-JTQLQIEISA-N 2 1 277.376 -0.135 20 0 CBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624011737 356389061 /nfs/dbraw/zinc/38/90/61/356389061.db2.gz HPYKJQVPLOCWPQ-JTQLQIEISA-N 2 1 277.376 -0.135 20 0 CBADMP CCCN(CCC[NH+](C)C)c1nc(N)nc(N)[nH+]1 ZINC000624150444 356399508 /nfs/dbraw/zinc/39/95/08/356399508.db2.gz IPZOGILVNVJVEN-UHFFFAOYSA-N 2 1 253.354 -0.135 20 0 CBADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(=O)n(C)c1=O ZINC000623656239 356370424 /nfs/dbraw/zinc/37/04/24/356370424.db2.gz PVCZGSRTCRFPPV-GFCCVEGCSA-N 2 1 294.399 -0.095 20 0 CBADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(=O)n(C)c1=O ZINC000623656239 356370428 /nfs/dbraw/zinc/37/04/28/356370428.db2.gz PVCZGSRTCRFPPV-GFCCVEGCSA-N 2 1 294.399 -0.095 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000624383996 356415786 /nfs/dbraw/zinc/41/57/86/356415786.db2.gz AKNOOFLXUNFTAK-SSDOTTSWSA-N 2 1 251.338 -0.597 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624384298 356416052 /nfs/dbraw/zinc/41/60/52/356416052.db2.gz MPMUYGXNIFRUCB-MRVPVSSYSA-N 2 1 265.365 -0.349 20 0 CBADMP CC(C)(C)[N@@H+]1CC[C@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624384298 356416056 /nfs/dbraw/zinc/41/60/56/356416056.db2.gz MPMUYGXNIFRUCB-MRVPVSSYSA-N 2 1 265.365 -0.349 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624384298 356416057 /nfs/dbraw/zinc/41/60/57/356416057.db2.gz MPMUYGXNIFRUCB-MRVPVSSYSA-N 2 1 265.365 -0.349 20 0 CBADMP Nc1nc(NC[C@H]2CC[N@H+]2C2CCCCC2)nc(N)[nH+]1 ZINC000624492296 356423544 /nfs/dbraw/zinc/42/35/44/356423544.db2.gz HAGXJZKXCNSKEX-SNVBAGLBSA-N 2 1 277.376 -0.062 20 0 CBADMP Nc1nc(N)[nH+]c(N2CCC(CO)([NH2+]CC3CC3)CC2)n1 ZINC000624266892 356408434 /nfs/dbraw/zinc/40/84/34/356408434.db2.gz XIUWJRGBKYUVNP-UHFFFAOYSA-N 2 1 293.375 -0.972 20 0 CBADMP CC[N@H+]1CCCN(c2nc(N)[nH+]c(N)n2)[C@@H](C)C1 ZINC000624273828 356409722 /nfs/dbraw/zinc/40/97/22/356409722.db2.gz KEBLZMCXGSADHW-QMMMGPOBSA-N 2 1 251.338 -0.383 20 0 CBADMP [NH3+]CCCOCCNC(=O)NCCC[NH+]1CCOCC1 ZINC000626917971 356556193 /nfs/dbraw/zinc/55/61/93/356556193.db2.gz REQBNLVXNFMLKY-UHFFFAOYSA-N 2 1 288.392 -0.627 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000626946074 356558494 /nfs/dbraw/zinc/55/84/94/356558494.db2.gz QZADBSQPQCLOJU-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000626946073 356558582 /nfs/dbraw/zinc/55/85/82/356558582.db2.gz QZADBSQPQCLOJU-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP CN(CCOCC[NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000626950442 356558740 /nfs/dbraw/zinc/55/87/40/356558740.db2.gz RFOZNJXWWLLGJH-LLVKDONJSA-N 2 1 258.366 -0.303 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCCOCCC[NH3+] ZINC000626950230 356558819 /nfs/dbraw/zinc/55/88/19/356558819.db2.gz NIAQDXRICWTMDL-LLVKDONJSA-N 2 1 258.366 -0.255 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626949573 356559310 /nfs/dbraw/zinc/55/93/10/356559310.db2.gz FLUMRIIMBANAAV-NSHDSACASA-N 2 1 270.377 -0.112 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626973354 356561509 /nfs/dbraw/zinc/56/15/09/356561509.db2.gz YNVFAXVBMBJTDI-RWMBFGLXSA-N 2 1 283.420 -0.328 20 0 CBADMP CN(CCOCC[NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000626977330 356561605 /nfs/dbraw/zinc/56/16/05/356561605.db2.gz YCDYNANWAAZYIF-UHFFFAOYSA-N 2 1 290.433 -0.348 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000626976484 356561667 /nfs/dbraw/zinc/56/16/67/356561667.db2.gz YQOQNCITDITSIT-UHFFFAOYSA-N 2 1 272.393 -0.042 20 0 CBADMP C[C@@H](NC(=O)N(C)CCOCC[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000627003928 356565689 /nfs/dbraw/zinc/56/56/89/356565689.db2.gz WZMDPLXFESSALI-NEPJUHHUSA-N 2 1 288.392 -0.678 20 0 CBADMP C[C@@H](NC(=O)N(C)CCOCC[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000627003928 356565694 /nfs/dbraw/zinc/56/56/94/356565694.db2.gz WZMDPLXFESSALI-NEPJUHHUSA-N 2 1 288.392 -0.678 20 0 CBADMP C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000627003979 356565920 /nfs/dbraw/zinc/56/59/20/356565920.db2.gz XRQNKJCIZCXPAK-QCNOEVLYSA-N 2 1 270.377 -0.245 20 0 CBADMP C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000627003979 356565925 /nfs/dbraw/zinc/56/59/25/356565925.db2.gz XRQNKJCIZCXPAK-QCNOEVLYSA-N 2 1 270.377 -0.245 20 0 CBADMP C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@H]1C[N@H+](C)CCO1 ZINC000627003617 356566135 /nfs/dbraw/zinc/56/61/35/356566135.db2.gz RYDQDIBDSPPNPC-GMTAPVOTSA-N 2 1 256.350 -0.633 20 0 CBADMP C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@H]1C[N@@H+](C)CCO1 ZINC000627003617 356566136 /nfs/dbraw/zinc/56/61/36/356566136.db2.gz RYDQDIBDSPPNPC-GMTAPVOTSA-N 2 1 256.350 -0.633 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)N[C@@H]1CC[NH2+]C1 ZINC000627045009 356570056 /nfs/dbraw/zinc/57/00/56/356570056.db2.gz SGTDOSMWDZWOBC-LLVKDONJSA-N 2 1 256.350 -0.630 20 0 CBADMP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000626982528 356563226 /nfs/dbraw/zinc/56/32/26/356563226.db2.gz KDODHRZXXWUNHT-LBPRGKRZSA-N 2 1 288.392 -0.758 20 0 CBADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000626983005 356563410 /nfs/dbraw/zinc/56/34/10/356563410.db2.gz YQDQVTSMUQRDEJ-CHWSQXEVSA-N 2 1 282.388 -0.242 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C)CCO1 ZINC000627134720 356587772 /nfs/dbraw/zinc/58/77/72/356587772.db2.gz AYULDCRHBKZQEE-TUAOUCFPSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C)CCO1 ZINC000627134718 356587791 /nfs/dbraw/zinc/58/77/91/356587791.db2.gz AYULDCRHBKZQEE-QJPTWQEYSA-N 2 1 270.377 -0.162 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000627135062 356587936 /nfs/dbraw/zinc/58/79/36/356587936.db2.gz MJIROZUILFDCIQ-NEPJUHHUSA-N 2 1 270.377 -0.160 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+](CC)CCO ZINC000627163506 356591894 /nfs/dbraw/zinc/59/18/94/356591894.db2.gz MOQOZFILRLHNIN-NWDGAFQWSA-N 2 1 272.393 -0.260 20 0 CBADMP C[C@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC000627070060 356573652 /nfs/dbraw/zinc/57/36/52/356573652.db2.gz URYLMNZAZLQEDD-YNEHKIRRSA-N 2 1 284.404 -0.260 20 0 CBADMP CC(C)[NH2+]CCCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627070704 356573837 /nfs/dbraw/zinc/57/38/37/356573837.db2.gz FLIWBJBPCLOLHQ-LBPRGKRZSA-N 2 1 272.393 -0.260 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@@H]1CCC[NH2+]1 ZINC000627073740 356574199 /nfs/dbraw/zinc/57/41/99/356574199.db2.gz KNTUPWUZWYRIFK-WDEREUQCSA-N 2 1 256.350 -0.896 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627076957 356575431 /nfs/dbraw/zinc/57/54/31/356575431.db2.gz NRASSESHDUUSNH-GHMZBOCLSA-N 2 1 258.366 -0.665 20 0 CBADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627079904 356576781 /nfs/dbraw/zinc/57/67/81/356576781.db2.gz XXWMQRMDIMYZPC-AVGNSLFASA-N 2 1 284.404 -0.130 20 0 CBADMP [NH3+][C@@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000627082570 356577280 /nfs/dbraw/zinc/57/72/80/356577280.db2.gz HJRIWKQEDKWRBA-QWRGUYRKSA-N 2 1 256.350 -0.911 20 0 CBADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627086153 356579116 /nfs/dbraw/zinc/57/91/16/356579116.db2.gz IXTMLCSLJPGBHR-SDDRHHMPSA-N 2 1 270.377 -0.650 20 0 CBADMP [NH3+][C@H]1CCC[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000627087420 356579587 /nfs/dbraw/zinc/57/95/87/356579587.db2.gz JMKHLAFQSNDUKZ-SRVKXCTJSA-N 2 1 270.377 -0.378 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCC1=CC[NH2+]CC1 ZINC000627087299 356580069 /nfs/dbraw/zinc/58/00/69/356580069.db2.gz HJJQALMNTSAEFG-LBPRGKRZSA-N 2 1 268.361 -0.728 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC[NH2+]1 ZINC000627088486 356580858 /nfs/dbraw/zinc/58/08/58/356580858.db2.gz IONBDHMCXBJASR-SDDRHHMPSA-N 2 1 270.377 -0.507 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC[NH2+]1 ZINC000627088483 356580906 /nfs/dbraw/zinc/58/09/06/356580906.db2.gz IONBDHMCXBJASR-GRYCIOLGSA-N 2 1 270.377 -0.507 20 0 CBADMP O=C(NCCC1=CC[NH2+]CC1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627090330 356581559 /nfs/dbraw/zinc/58/15/59/356581559.db2.gz SDTHJYKXPTYQBI-CYBMUJFWSA-N 2 1 282.388 -0.338 20 0 CBADMP C[C@@H](CCCC[NH3+])NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627093892 356582233 /nfs/dbraw/zinc/58/22/33/356582233.db2.gz VJRJIYCUROFCTR-RYUDHWBXSA-N 2 1 272.393 -0.130 20 0 CBADMP O=C(NCCC[C@H]1CCC[NH2+]1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627101337 356582924 /nfs/dbraw/zinc/58/29/24/356582924.db2.gz VLZOLXZREXPQKH-OLZOCXBDSA-N 2 1 284.404 -0.116 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000627243864 356611306 /nfs/dbraw/zinc/61/13/06/356611306.db2.gz XNXAZPOWXWPLRY-QNWHQSFQSA-N 2 1 284.404 -0.167 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000627246331 356611373 /nfs/dbraw/zinc/61/13/73/356611373.db2.gz REEYSJMVMOSWRD-GRYCIOLGSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000627246331 356611377 /nfs/dbraw/zinc/61/13/77/356611377.db2.gz REEYSJMVMOSWRD-GRYCIOLGSA-N 2 1 270.377 -0.555 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000627258909 356615585 /nfs/dbraw/zinc/61/55/85/356615585.db2.gz JGCZUHKBGAPBAY-RDBSUJKOSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000627258909 356615590 /nfs/dbraw/zinc/61/55/90/356615590.db2.gz JGCZUHKBGAPBAY-RDBSUJKOSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)C1 ZINC000627258909 356615595 /nfs/dbraw/zinc/61/55/95/356615595.db2.gz JGCZUHKBGAPBAY-RDBSUJKOSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)C1 ZINC000627258909 356615600 /nfs/dbraw/zinc/61/56/00/356615600.db2.gz JGCZUHKBGAPBAY-RDBSUJKOSA-N 2 1 297.399 -0.625 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000627259138 356615898 /nfs/dbraw/zinc/61/58/98/356615898.db2.gz NNMPTVDLKCZYEE-YNEHKIRRSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627259138 356615901 /nfs/dbraw/zinc/61/59/01/356615901.db2.gz NNMPTVDLKCZYEE-YNEHKIRRSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627259138 356615906 /nfs/dbraw/zinc/61/59/06/356615906.db2.gz NNMPTVDLKCZYEE-YNEHKIRRSA-N 2 1 267.373 -0.252 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627204243 356604657 /nfs/dbraw/zinc/60/46/57/356604657.db2.gz CFJNOVKVVVXLFM-NEPJUHHUSA-N 2 1 272.393 -0.260 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)N2CC[N@H+](CCO)C[C@@H]2C)C[NH2+]1 ZINC000627207227 356605022 /nfs/dbraw/zinc/60/50/22/356605022.db2.gz PQNQNGITJFTBLO-AGIUHOORSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)C[NH2+]1 ZINC000627207227 356605027 /nfs/dbraw/zinc/60/50/27/356605027.db2.gz PQNQNGITJFTBLO-AGIUHOORSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)N2CC[N@H+](CCO)C[C@@H]2C)C[NH2+]1 ZINC000627207229 356605308 /nfs/dbraw/zinc/60/53/08/356605308.db2.gz PQNQNGITJFTBLO-FRRDWIJNSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)C[NH2+]1 ZINC000627207229 356605310 /nfs/dbraw/zinc/60/53/10/356605310.db2.gz PQNQNGITJFTBLO-FRRDWIJNSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)N2CC[N@H+](CCO)C[C@H]2C)C[NH2+]1 ZINC000627207231 356605354 /nfs/dbraw/zinc/60/53/54/356605354.db2.gz PQNQNGITJFTBLO-JHJVBQTASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)N2CC[N@@H+](CCO)C[C@H]2C)C[NH2+]1 ZINC000627207231 356605356 /nfs/dbraw/zinc/60/53/56/356605356.db2.gz PQNQNGITJFTBLO-JHJVBQTASA-N 2 1 284.404 -0.165 20 0 CBADMP [NH3+]CCCOCCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000627213127 356606719 /nfs/dbraw/zinc/60/67/19/356606719.db2.gz FHMALQDNGNULFY-UHFFFAOYSA-N 2 1 270.377 -0.159 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000627365407 356633336 /nfs/dbraw/zinc/63/33/36/356633336.db2.gz NWLPAHHAHBCSAB-VXGBXAGGSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000627378675 356635041 /nfs/dbraw/zinc/63/50/41/356635041.db2.gz QWMOLVANNMJNOU-UMSGYPCISA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1=CC[N@@H+](C)CC1 ZINC000627376408 356635191 /nfs/dbraw/zinc/63/51/91/356635191.db2.gz ARZVQZJFTMOBER-CMPLNLGQSA-N 2 1 280.372 -0.769 20 0 CBADMP 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 356622592 /nfs/dbraw/zinc/62/25/92/356622592.db2.gz DZEJIAVPZJILGW-XQHKEYJVSA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000627307385 356623274 /nfs/dbraw/zinc/62/32/74/356623274.db2.gz IUUVRAWLAMUDRN-WCQYABFASA-N 2 1 296.415 -0.156 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627428962 356645205 /nfs/dbraw/zinc/64/52/05/356645205.db2.gz TWGPGXVXDZJOKC-AVGNSLFASA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000627457148 356649286 /nfs/dbraw/zinc/64/92/86/356649286.db2.gz LYKXHLBGDMHRSO-GRYCIOLGSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000627385443 356636165 /nfs/dbraw/zinc/63/61/65/356636165.db2.gz LEWWZWLRLFRIPV-WCQYABFASA-N 2 1 296.415 -0.156 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000627378971 356636342 /nfs/dbraw/zinc/63/63/42/356636342.db2.gz ZHRBWTVMSQSPEM-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627505997 356660830 /nfs/dbraw/zinc/66/08/30/356660830.db2.gz SUBMGMAXRFXPMC-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000627505379 356660842 /nfs/dbraw/zinc/66/08/42/356660842.db2.gz LJUNWYRFDXEUEU-XQQFMLRXSA-N 2 1 294.399 -0.593 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000627506139 356660917 /nfs/dbraw/zinc/66/09/17/356660917.db2.gz AMMKFCZXAFZRON-GFCCVEGCSA-N 2 1 280.372 -0.981 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627478476 356653931 /nfs/dbraw/zinc/65/39/31/356653931.db2.gz NKKLEVUOPMKCTN-FRRDWIJNSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[C@@H]1C ZINC000627502984 356658798 /nfs/dbraw/zinc/65/87/98/356658798.db2.gz VXXQBWXHWOAXFG-ZDEQEGDKSA-N 2 1 296.415 -0.206 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[C@@H]1C ZINC000627502984 356658801 /nfs/dbraw/zinc/65/88/01/356658801.db2.gz VXXQBWXHWOAXFG-ZDEQEGDKSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000627503459 356659657 /nfs/dbraw/zinc/65/96/57/356659657.db2.gz NJSDCRKEELQFQV-SDDRHHMPSA-N 2 1 296.415 -0.158 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627504266 356660096 /nfs/dbraw/zinc/66/00/96/356660096.db2.gz FYGOPRUOYFEYIN-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C[C@H]21 ZINC000627653366 356667436 /nfs/dbraw/zinc/66/74/36/356667436.db2.gz MPRMKSRZIXNXKZ-RQJABVFESA-N 2 1 278.400 -0.605 20 0 CBADMP COc1cncc(C[NH+]2CCC(O)(C[NH3+])CC2)n1 ZINC000629543079 356778340 /nfs/dbraw/zinc/77/83/40/356778340.db2.gz SIHHITLSOCPORJ-UHFFFAOYSA-N 2 1 252.318 -0.229 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000629572542 356781200 /nfs/dbraw/zinc/78/12/00/356781200.db2.gz WMWOJJIQFUZZJF-CYBMUJFWSA-N 2 1 259.394 -0.125 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)NCC(F)(F)F ZINC000629564749 356779653 /nfs/dbraw/zinc/77/96/53/356779653.db2.gz BIPPIFCRAVRJCJ-UHFFFAOYSA-N 2 1 271.283 -0.167 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)NCC(F)(F)F ZINC000629564749 356779656 /nfs/dbraw/zinc/77/96/56/356779656.db2.gz BIPPIFCRAVRJCJ-UHFFFAOYSA-N 2 1 271.283 -0.167 20 0 CBADMP C[NH+](C)Cc1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cn1 ZINC000629166761 356750043 /nfs/dbraw/zinc/75/00/43/356750043.db2.gz CTBLUJZAXHTUGO-CQSZACIVSA-N 2 1 292.383 -0.060 20 0 CBADMP C[N@H+](CCOC1CCOCC1)CC(=O)N1CC[NH2+]CC1 ZINC000629507360 356774819 /nfs/dbraw/zinc/77/48/19/356774819.db2.gz DIFVKAWLOQJNKA-UHFFFAOYSA-N 2 1 285.388 -0.454 20 0 CBADMP C[N@@H+](CCOC1CCOCC1)CC(=O)N1CC[NH2+]CC1 ZINC000629507360 356774822 /nfs/dbraw/zinc/77/48/22/356774822.db2.gz DIFVKAWLOQJNKA-UHFFFAOYSA-N 2 1 285.388 -0.454 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000629512183 356775815 /nfs/dbraw/zinc/77/58/15/356775815.db2.gz BKLNIQPWLYAJDQ-TUAOUCFPSA-N 2 1 254.378 -0.204 20 0 CBADMP Cn1cc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(=O)n(C)c1=O ZINC000629664421 356788757 /nfs/dbraw/zinc/78/87/57/356788757.db2.gz ILTSWSDKZNBIKG-GASCZTMLSA-N 2 1 292.383 -0.485 20 0 CBADMP Cn1cc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(=O)n(C)c1=O ZINC000629664421 356788760 /nfs/dbraw/zinc/78/87/60/356788760.db2.gz ILTSWSDKZNBIKG-GASCZTMLSA-N 2 1 292.383 -0.485 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000629802602 356796651 /nfs/dbraw/zinc/79/66/51/356796651.db2.gz VOWHWSMQTWLJFI-UHFFFAOYSA-N 2 1 295.387 -0.153 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(CC)CC[NH3+])CC1 ZINC000629812168 356798598 /nfs/dbraw/zinc/79/85/98/356798598.db2.gz NIAGCQPQNJIZST-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000629811682 356798690 /nfs/dbraw/zinc/79/86/90/356798690.db2.gz ILKVPXCSVJITNO-UHFFFAOYSA-N 2 1 270.377 -0.654 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH+]1CC[C@H](O)C1)[C@H]1CCSC1 ZINC000629914893 356806960 /nfs/dbraw/zinc/80/69/60/356806960.db2.gz LLWWJOFYMKRQSU-RYUDHWBXSA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH+](CC(=O)NCC[N@@H+]1CC[C@H](O)C1)[C@H]1CCSC1 ZINC000629914893 356806964 /nfs/dbraw/zinc/80/69/64/356806964.db2.gz LLWWJOFYMKRQSU-RYUDHWBXSA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH+](CC(=O)NCC[N@H+]1CC[C@H](O)C1)[C@H]1CCSC1 ZINC000629914893 356806967 /nfs/dbraw/zinc/80/69/67/356806967.db2.gz LLWWJOFYMKRQSU-RYUDHWBXSA-N 2 1 287.429 -0.394 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629917191 356807982 /nfs/dbraw/zinc/80/79/82/356807982.db2.gz OXGSERYWOANLSA-NSHDSACASA-N 2 1 252.318 -0.626 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629917191 356807986 /nfs/dbraw/zinc/80/79/86/356807986.db2.gz OXGSERYWOANLSA-NSHDSACASA-N 2 1 252.318 -0.626 20 0 CBADMP C[N@@H+](CC(=O)NC[C@]1(O)CC[NH+](C)C1)C1CCC1 ZINC000629981681 356813037 /nfs/dbraw/zinc/81/30/37/356813037.db2.gz NZNBXUHCSDGGNT-CYBMUJFWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC000629981681 356813039 /nfs/dbraw/zinc/81/30/39/356813039.db2.gz NZNBXUHCSDGGNT-CYBMUJFWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@@H+](C)C1)C1CCC1 ZINC000629981681 356813040 /nfs/dbraw/zinc/81/30/40/356813040.db2.gz NZNBXUHCSDGGNT-CYBMUJFWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@]1(O)CC[NH+](C)C1)C1CCC1 ZINC000629981683 356813232 /nfs/dbraw/zinc/81/32/32/356813232.db2.gz NZNBXUHCSDGGNT-ZDUSSCGKSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC000629981683 356813234 /nfs/dbraw/zinc/81/32/34/356813234.db2.gz NZNBXUHCSDGGNT-ZDUSSCGKSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)C1CCC1 ZINC000629981683 356813236 /nfs/dbraw/zinc/81/32/36/356813236.db2.gz NZNBXUHCSDGGNT-ZDUSSCGKSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH+]1CC[C@H](O)C1)C1CCC1 ZINC000630029178 356819829 /nfs/dbraw/zinc/81/98/29/356819829.db2.gz NQYMSOBBQLWWEC-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](CC(=O)NCC[N@@H+]1CC[C@H](O)C1)C1CCC1 ZINC000630029178 356819830 /nfs/dbraw/zinc/81/98/30/356819830.db2.gz NQYMSOBBQLWWEC-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](CC(=O)NCC[N@H+]1CC[C@H](O)C1)C1CCC1 ZINC000630029178 356819831 /nfs/dbraw/zinc/81/98/31/356819831.db2.gz NQYMSOBBQLWWEC-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CCOCC[NH3+] ZINC000629575493 356781525 /nfs/dbraw/zinc/78/15/25/356781525.db2.gz OAFLTQSRGKGYAW-VXGBXAGGSA-N 2 1 273.377 -0.423 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCOCC[NH3+] ZINC000629575484 356781833 /nfs/dbraw/zinc/78/18/33/356781833.db2.gz OAFLTQSRGKGYAW-NEPJUHHUSA-N 2 1 273.377 -0.423 20 0 CBADMP Cn1ccc(N2CCC[C@H]([N@H+](C)CCOCC[NH3+])C2=O)n1 ZINC000629579158 356782794 /nfs/dbraw/zinc/78/27/94/356782794.db2.gz ZMURETSWATVLAH-LBPRGKRZSA-N 2 1 295.387 -0.177 20 0 CBADMP Cn1ccc(N2CCC[C@H]([N@@H+](C)CCOCC[NH3+])C2=O)n1 ZINC000629579158 356782796 /nfs/dbraw/zinc/78/27/96/356782796.db2.gz ZMURETSWATVLAH-LBPRGKRZSA-N 2 1 295.387 -0.177 20 0 CBADMP O=C(CC[N@@H+]1CCO[C@@H](CCF)C1)N1CC[NH2+]CC1 ZINC000629581062 356782965 /nfs/dbraw/zinc/78/29/65/356782965.db2.gz LSACVUMOAORNJS-LBPRGKRZSA-N 2 1 273.352 -0.131 20 0 CBADMP O=C(CC[N@H+]1CCO[C@@H](CCF)C1)N1CC[NH2+]CC1 ZINC000629581062 356782969 /nfs/dbraw/zinc/78/29/69/356782969.db2.gz LSACVUMOAORNJS-LBPRGKRZSA-N 2 1 273.352 -0.131 20 0 CBADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000629592344 356783974 /nfs/dbraw/zinc/78/39/74/356783974.db2.gz ANYGKDLQZNZCNE-GASCZTMLSA-N 3 1 280.416 -0.260 20 0 CBADMP C[C@]12C[NH2+]C[C@@]1(C)CN(CCC(=O)N1CC[NH2+]CC1)C2 ZINC000629592344 356783978 /nfs/dbraw/zinc/78/39/78/356783978.db2.gz ANYGKDLQZNZCNE-GASCZTMLSA-N 2 1 280.416 -0.260 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)[C@H]1CCCO1)C1CC1 ZINC000629589920 356784304 /nfs/dbraw/zinc/78/43/04/356784304.db2.gz DJDOPCIQKHLMRP-JHJVBQTASA-N 2 1 258.362 -0.429 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)[C@H]1CCCO1)C1CC1 ZINC000629589920 356784307 /nfs/dbraw/zinc/78/43/07/356784307.db2.gz DJDOPCIQKHLMRP-JHJVBQTASA-N 2 1 258.362 -0.429 20 0 CBADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629594032 356784627 /nfs/dbraw/zinc/78/46/27/356784627.db2.gz JJDMPPZGHLEXEB-OLZOCXBDSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H](OC)C[C@@]2(C)C[NH3+])C1 ZINC000630371918 356840348 /nfs/dbraw/zinc/84/03/48/356840348.db2.gz CCHFIINOTICQHH-DYEKYZERSA-N 2 1 285.388 -0.328 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H](OC)C[C@@]2(C)C[NH3+])C1 ZINC000630371918 356840350 /nfs/dbraw/zinc/84/03/50/356840350.db2.gz CCHFIINOTICQHH-DYEKYZERSA-N 2 1 285.388 -0.328 20 0 CBADMP COC[C@@H]([NH3+])Cc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000630593173 356853978 /nfs/dbraw/zinc/85/39/78/356853978.db2.gz IGSXHKQADGMSFE-VIFPVBQESA-N 2 1 263.301 -0.329 20 0 CBADMP OC[C@H]1CCC[N@@H+]1Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630603721 356854514 /nfs/dbraw/zinc/85/45/14/356854514.db2.gz LAKXRSZMDLQGFZ-WCQYABFASA-N 2 1 265.361 -0.013 20 0 CBADMP OC[C@H]1CCC[N@H+]1Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630603721 356854519 /nfs/dbraw/zinc/85/45/19/356854519.db2.gz LAKXRSZMDLQGFZ-WCQYABFASA-N 2 1 265.361 -0.013 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000631840625 356910868 /nfs/dbraw/zinc/91/08/68/356910868.db2.gz DEKCJWCZNOYOCB-MBNYWOFBSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C[NH3+] ZINC000631840178 356910924 /nfs/dbraw/zinc/91/09/24/356910924.db2.gz QNURUDUEXNJESN-GHMZBOCLSA-N 2 1 263.407 -0.206 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000631902304 356918667 /nfs/dbraw/zinc/91/86/67/356918667.db2.gz HLNWIGLYHCQYOQ-SNVBAGLBSA-N 2 1 261.391 -0.309 20 0 CBADMP C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)C[C@@H](C)[NH2+]1 ZINC000631904402 356919425 /nfs/dbraw/zinc/91/94/25/356919425.db2.gz MNXKNUXLAAZXLA-GHMZBOCLSA-N 2 1 263.407 -0.050 20 0 CBADMP CN([C@H]1CC[NH2+]C1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631904413 356920663 /nfs/dbraw/zinc/92/06/63/356920663.db2.gz MUZKRIVFHZAJIO-JTQLQIEISA-N 2 1 261.391 -0.296 20 0 CBADMP C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631935064 356926962 /nfs/dbraw/zinc/92/69/62/356926962.db2.gz PKYCLAMACXAKKZ-MNOVXSKESA-N 2 1 275.418 -0.002 20 0 CBADMP CCC[C@H]1C[NH2+]CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631934071 356927444 /nfs/dbraw/zinc/92/74/44/356927444.db2.gz ZQJITRCUDARMBD-RYUDHWBXSA-N 2 1 291.417 -0.622 20 0 CBADMP CN(C1CC([NH3+])C1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631940163 356929893 /nfs/dbraw/zinc/92/98/93/356929893.db2.gz QGIXCZLFWYEOFL-UHFFFAOYSA-N 2 1 261.391 -0.168 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000631952534 356933209 /nfs/dbraw/zinc/93/32/09/356933209.db2.gz LIDUQMMEQJQNHA-UHFFFAOYSA-N 2 1 273.402 -0.248 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000631953988 356933915 /nfs/dbraw/zinc/93/39/15/356933915.db2.gz YKCACYOJORTYTM-JTQLQIEISA-N 2 1 261.391 -0.248 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631957881 356935165 /nfs/dbraw/zinc/93/51/65/356935165.db2.gz BXYVOMHDZZNYFQ-VHSXEESVSA-N 2 1 261.391 -0.250 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC000632286765 356968309 /nfs/dbraw/zinc/96/83/09/356968309.db2.gz LFMHXCFPXSUBQW-TXEJJXNPSA-N 2 1 287.429 -0.096 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC000632286765 356968313 /nfs/dbraw/zinc/96/83/13/356968313.db2.gz LFMHXCFPXSUBQW-TXEJJXNPSA-N 2 1 287.429 -0.096 20 0 CBADMP 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 357044674 /nfs/dbraw/zinc/04/46/74/357044674.db2.gz XLGHTZLCOAMJGT-MROQNXINSA-N 2 1 294.399 -0.642 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633103545 357046312 /nfs/dbraw/zinc/04/63/12/357046312.db2.gz PZCLUACPUKGMOF-AVGNSLFASA-N 2 1 294.399 -0.500 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000633116217 357049714 /nfs/dbraw/zinc/04/97/14/357049714.db2.gz QHAPBYMWDKJZES-XQQFMLRXSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000633117998 357050114 /nfs/dbraw/zinc/05/01/14/357050114.db2.gz HEBFYGFMVRZXEQ-WRWGMCAJSA-N 2 1 280.372 -0.903 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCC[NH+]1CCOCC1 ZINC000635526654 357172980 /nfs/dbraw/zinc/17/29/80/357172980.db2.gz UKFDOTBFNURCGD-NEPJUHHUSA-N 2 1 270.377 -0.160 20 0 CBADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000634533721 357123062 /nfs/dbraw/zinc/12/30/62/357123062.db2.gz NRBPZZGKCRHERX-XQQFMLRXSA-N 2 1 295.383 -0.356 20 0 CBADMP C[NH2+]C[C@@H](O)CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719887 357129224 /nfs/dbraw/zinc/12/92/24/357129224.db2.gz AXNGGKZWSARGQH-HZPDHXFCSA-N 2 1 293.411 -0.207 20 0 CBADMP C[C@@](O)(CO)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719840 357129452 /nfs/dbraw/zinc/12/94/52/357129452.db2.gz AIEJRTRGRALUPN-JKSUJKDBSA-N 2 1 294.395 -0.044 20 0 CBADMP C[C@@](O)(CO)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719840 357129454 /nfs/dbraw/zinc/12/94/54/357129454.db2.gz AIEJRTRGRALUPN-JKSUJKDBSA-N 2 1 294.395 -0.044 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@@H](CN[C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000634733897 357130930 /nfs/dbraw/zinc/13/09/30/357130930.db2.gz QSXXSZQSYGFLJZ-GUTXKFCHSA-N 2 1 280.416 -0.085 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635728443 357197491 /nfs/dbraw/zinc/19/74/91/357197491.db2.gz XRZFJLLYUSLBAP-DGCLKSJQSA-N 2 1 257.378 -0.243 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635802305 357209647 /nfs/dbraw/zinc/20/96/47/357209647.db2.gz SHNKMBYMTQKSRQ-OAHLLOKOSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000635801219 357210078 /nfs/dbraw/zinc/21/00/78/357210078.db2.gz HHLNZCGMWCJLMR-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000635801219 357210080 /nfs/dbraw/zinc/21/00/80/357210080.db2.gz HHLNZCGMWCJLMR-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000635801219 357210082 /nfs/dbraw/zinc/21/00/82/357210082.db2.gz HHLNZCGMWCJLMR-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000635928455 357235822 /nfs/dbraw/zinc/23/58/22/357235822.db2.gz GPFUKRFWVZOCBB-GRYCIOLGSA-N 2 1 255.362 -0.396 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635548430 357175865 /nfs/dbraw/zinc/17/58/65/357175865.db2.gz QXTCKDJEMWISMW-LBPRGKRZSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000636844693 357306782 /nfs/dbraw/zinc/30/67/82/357306782.db2.gz KYQFEQASYFSJQW-FRRDWIJNSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000636844693 357306785 /nfs/dbraw/zinc/30/67/85/357306785.db2.gz KYQFEQASYFSJQW-FRRDWIJNSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000636844693 357306791 /nfs/dbraw/zinc/30/67/91/357306791.db2.gz KYQFEQASYFSJQW-FRRDWIJNSA-N 2 1 284.404 -0.165 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636287645 357276812 /nfs/dbraw/zinc/27/68/12/357276812.db2.gz KORUXUYCCISLCK-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000636287645 357276816 /nfs/dbraw/zinc/27/68/16/357276816.db2.gz KORUXUYCCISLCK-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000636287645 357276818 /nfs/dbraw/zinc/27/68/18/357276818.db2.gz KORUXUYCCISLCK-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000636316368 357280372 /nfs/dbraw/zinc/28/03/72/357280372.db2.gz UOKHGLHSDNZGOG-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000636316368 357280374 /nfs/dbraw/zinc/28/03/74/357280374.db2.gz UOKHGLHSDNZGOG-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000637813011 357369491 /nfs/dbraw/zinc/36/94/91/357369491.db2.gz HPJJNQNDTFJSOY-UHFFFAOYSA-N 2 1 293.371 -0.446 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCN1CC[NH2+]CC1 ZINC000637812316 357369714 /nfs/dbraw/zinc/36/97/14/357369714.db2.gz XGVRSLBMDGTUAQ-UHFFFAOYSA-N 2 1 251.334 -0.787 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000637820116 357371038 /nfs/dbraw/zinc/37/10/38/357371038.db2.gz VWOLPXSZPIJJSL-LBPRGKRZSA-N 2 1 293.371 -0.495 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[NH2+]C[C@H]1C ZINC000637816821 357371080 /nfs/dbraw/zinc/37/10/80/357371080.db2.gz LIDWEAPCHVRQRM-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000637832659 357373177 /nfs/dbraw/zinc/37/31/77/357373177.db2.gz KRKPODWNCGIYPZ-UHFFFAOYSA-N 2 1 265.361 -0.445 20 0 CBADMP CN(C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH2+]C1 ZINC000637837325 357373683 /nfs/dbraw/zinc/37/36/83/357373683.db2.gz DIBHPZLUNYKSQP-TUAOUCFPSA-N 2 1 253.346 -0.330 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000636923886 357312500 /nfs/dbraw/zinc/31/25/00/357312500.db2.gz ZUEWBNAACWXYMG-MRVWCRGKSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636923886 357312504 /nfs/dbraw/zinc/31/25/04/357312504.db2.gz ZUEWBNAACWXYMG-MRVWCRGKSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636923886 357312511 /nfs/dbraw/zinc/31/25/11/357312511.db2.gz ZUEWBNAACWXYMG-MRVWCRGKSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000636988443 357315837 /nfs/dbraw/zinc/31/58/37/357315837.db2.gz JHCYTOYZWVNBFO-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH2+]C2CC2)[C@H](C)C1 ZINC000637316935 357339475 /nfs/dbraw/zinc/33/94/75/357339475.db2.gz JGCLFKQWLHEUPB-NEPJUHHUSA-N 2 1 284.404 -0.165 20 0 CBADMP O=C(NCC[NH2+]C1CC1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000637347601 357339594 /nfs/dbraw/zinc/33/95/94/357339594.db2.gz IAYYQVPSHKIQNJ-ZDUSSCGKSA-N 2 1 284.404 -0.116 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CCC1 ZINC000637376028 357340762 /nfs/dbraw/zinc/34/07/62/357340762.db2.gz YHGNOVKFPMZHBD-LBPRGKRZSA-N 2 1 297.403 -0.669 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[NH2+]CC1 ZINC000637800389 357365367 /nfs/dbraw/zinc/36/53/67/357365367.db2.gz DIZKCOIYAXRHMS-AWEZNQCLSA-N 2 1 276.384 -0.123 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000637810416 357368700 /nfs/dbraw/zinc/36/87/00/357368700.db2.gz DLXJDYTYBNCCDJ-LBPRGKRZSA-N 2 1 254.378 -0.650 20 0 CBADMP C[N@@H+](CC(=O)NCCN1CC[NH2+]CC1)CC(C)(C)C ZINC000637810048 357368752 /nfs/dbraw/zinc/36/87/52/357368752.db2.gz BKPZMKLLNZBPTC-UHFFFAOYSA-N 2 1 270.421 -0.014 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000638243032 357441901 /nfs/dbraw/zinc/44/19/01/357441901.db2.gz JQKLFJTYOBKZIN-GCHJQGSQSA-N 2 1 251.330 -0.816 20 0 CBADMP [NH3+][C@H]1CC=C(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000638046877 357405264 /nfs/dbraw/zinc/40/52/64/357405264.db2.gz GMRFXPNTZYOJNR-LBPRGKRZSA-N 2 1 253.346 -0.128 20 0 CBADMP COC[C@]1(C(=O)NCCC[NH+]2CCOCC2)CCCC[NH2+]1 ZINC000638048881 357405382 /nfs/dbraw/zinc/40/53/82/357405382.db2.gz WCDQJAAMKRCPSE-HNNXBMFYSA-N 2 1 299.415 -0.016 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638062917 357406969 /nfs/dbraw/zinc/40/69/69/357406969.db2.gz AGWQCXAAEGTNGN-LBPRGKRZSA-N 2 1 280.372 -0.686 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000638060762 357407827 /nfs/dbraw/zinc/40/78/27/357407827.db2.gz QEYUPJXTLZNLLP-YNEHKIRRSA-N 2 1 285.388 -0.424 20 0 CBADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000638070104 357409522 /nfs/dbraw/zinc/40/95/22/357409522.db2.gz WXQKHEUYSNJNMN-YPMHNXCESA-N 2 1 287.429 -0.082 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638071667 357411276 /nfs/dbraw/zinc/41/12/76/357411276.db2.gz HDVNZHPQXFVIQC-YPMHNXCESA-N 2 1 255.362 -0.177 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000638077366 357412606 /nfs/dbraw/zinc/41/26/06/357412606.db2.gz RRFNEXPLKSGVJO-NTZNESFSSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[NH2+][C@H](C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000638090469 357414685 /nfs/dbraw/zinc/41/46/85/357414685.db2.gz XLKQVVWLDAVESF-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638101830 357417199 /nfs/dbraw/zinc/41/71/99/357417199.db2.gz RETJVVIQMZDXJQ-RYUDHWBXSA-N 2 1 253.346 -0.129 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638100127 357417236 /nfs/dbraw/zinc/41/72/36/357417236.db2.gz OZJSMKHNKRAHQF-TZMCWYRMSA-N 2 1 285.388 -0.408 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(COC)CCCC[NH2+]2)C1 ZINC000638100836 357417288 /nfs/dbraw/zinc/41/72/88/357417288.db2.gz MWVVRTAAABDXAX-HIFRSBDPSA-N 2 1 299.415 -0.018 20 0 CBADMP C[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000638102675 357418610 /nfs/dbraw/zinc/41/86/10/357418610.db2.gz VMUWLAXECJUINP-GXFFZTMASA-N 2 1 255.362 -0.036 20 0 CBADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000638112628 357420896 /nfs/dbraw/zinc/42/08/96/357420896.db2.gz ZUANABRBJKRHDN-RISCZKNCSA-N 2 1 295.387 -0.131 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@]2(C)C[NH2+]CCO2)CC[N@H+]1C ZINC000638116148 357421125 /nfs/dbraw/zinc/42/11/25/357421125.db2.gz XLJZPSUKHRBTSE-MDZLAQPJSA-N 2 1 255.362 -0.036 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638124166 357422141 /nfs/dbraw/zinc/42/21/41/357422141.db2.gz SIYUYXCVQBZPKH-ZDUSSCGKSA-N 2 1 273.377 -0.551 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638136825 357424398 /nfs/dbraw/zinc/42/43/98/357424398.db2.gz BNJFVHAUEHVUGM-HZSPNIEDSA-N 2 1 298.431 -0.508 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000638132940 357424441 /nfs/dbraw/zinc/42/44/41/357424441.db2.gz XVMGHGPUQXRJNK-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP [NH3+][C@H](CNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000638154819 357427243 /nfs/dbraw/zinc/42/72/43/357427243.db2.gz RHSWJNNTIWQZTI-QJPTWQEYSA-N 2 1 253.346 -0.297 20 0 CBADMP C[N@H+]1CCCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638170902 357430550 /nfs/dbraw/zinc/43/05/50/357430550.db2.gz RWGDTYJOQPIDNV-ZDUSSCGKSA-N 2 1 255.362 -0.094 20 0 CBADMP CC[NH2+][C@H](C)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000638173263 357431172 /nfs/dbraw/zinc/43/11/72/357431172.db2.gz GATBLDIRXWIOEK-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP O=C(CCC1C[NH2+]C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000638173802 357431255 /nfs/dbraw/zinc/43/12/55/357431255.db2.gz KLIMJHNTLROHPA-CYBMUJFWSA-N 2 1 294.399 -0.591 20 0 CBADMP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000638174028 357431886 /nfs/dbraw/zinc/43/18/86/357431886.db2.gz MZQXUWFWMIWFQE-OLZOCXBDSA-N 2 1 292.383 -0.543 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH2+]CC2)O1 ZINC000638191245 357433027 /nfs/dbraw/zinc/43/30/27/357433027.db2.gz XCRAHRJGGOKQQA-GRYCIOLGSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH2+]CC2)O1 ZINC000638191245 357433032 /nfs/dbraw/zinc/43/30/32/357433032.db2.gz XCRAHRJGGOKQQA-GRYCIOLGSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)O1 ZINC000638200901 357434120 /nfs/dbraw/zinc/43/41/20/357434120.db2.gz KHOPLJSKKJHBAY-MROQNXINSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)O1 ZINC000638200901 357434125 /nfs/dbraw/zinc/43/41/25/357434125.db2.gz KHOPLJSKKJHBAY-MROQNXINSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[NH2+][C@H](C)[C@H]2C)O1 ZINC000638203996 357434409 /nfs/dbraw/zinc/43/44/09/357434409.db2.gz IADAGONSPNEIHZ-DDHJBXDOSA-N 2 1 255.362 -0.086 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[NH2+][C@H](C)[C@H]2C)O1 ZINC000638203996 357434414 /nfs/dbraw/zinc/43/44/14/357434414.db2.gz IADAGONSPNEIHZ-DDHJBXDOSA-N 2 1 255.362 -0.086 20 0 CBADMP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C)[NH+](C)C ZINC000638222981 357436182 /nfs/dbraw/zinc/43/61/82/357436182.db2.gz QWLVNHMHJAKMNT-GHMZBOCLSA-N 2 1 265.361 -0.157 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000637868577 357380133 /nfs/dbraw/zinc/38/01/33/357380133.db2.gz XYHSOZGWECSIBP-ONGXEEELSA-N 2 1 252.318 -0.234 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638618802 357509008 /nfs/dbraw/zinc/50/90/08/357509008.db2.gz OTAQYMLWZFYDFD-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000638294276 357452647 /nfs/dbraw/zinc/45/26/47/357452647.db2.gz NRHVEGUBLSNBMH-JSGCOSHPSA-N 2 1 285.388 -0.408 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000638294276 357452649 /nfs/dbraw/zinc/45/26/49/357452649.db2.gz NRHVEGUBLSNBMH-JSGCOSHPSA-N 2 1 285.388 -0.408 20 0 CBADMP COC[C@]1(C(=O)NCC[N@@H+]2CCCOCC2)CCCC[NH2+]1 ZINC000638295950 357452877 /nfs/dbraw/zinc/45/28/77/357452877.db2.gz ZZVHJZGBNDNXGA-HNNXBMFYSA-N 2 1 299.415 -0.016 20 0 CBADMP COC[C@]1(C(=O)NCC[N@H+]2CCCOCC2)CCCC[NH2+]1 ZINC000638295950 357452881 /nfs/dbraw/zinc/45/28/81/357452881.db2.gz ZZVHJZGBNDNXGA-HNNXBMFYSA-N 2 1 299.415 -0.016 20 0 CBADMP [NH3+]C[C@@]1(C(=O)NCC[N@H+]2CCCOCC2)CCCOC1 ZINC000638295124 357453530 /nfs/dbraw/zinc/45/35/30/357453530.db2.gz TYRJXWWVUXFPHV-AWEZNQCLSA-N 2 1 285.388 -0.420 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)CN3CC[NH2+]CC3)[C@H]2C1 ZINC000638312408 357454725 /nfs/dbraw/zinc/45/47/25/357454725.db2.gz FTHAMKOWSCOHSN-STQMWFEESA-N 2 1 266.389 -0.556 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000638326535 357458514 /nfs/dbraw/zinc/45/85/14/357458514.db2.gz ZUVYOOYOFDRLRL-XFMPKHEZSA-N 2 1 297.399 -0.315 20 0 CBADMP CN(CC[NH3+])C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638343052 357460091 /nfs/dbraw/zinc/46/00/91/357460091.db2.gz JWZHZLLMEGXZNW-ZDUSSCGKSA-N 2 1 264.373 -0.137 20 0 CBADMP COCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000638387280 357466033 /nfs/dbraw/zinc/46/60/33/357466033.db2.gz VVCKLEHMVDZNLF-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000638387280 357466037 /nfs/dbraw/zinc/46/60/37/357466037.db2.gz VVCKLEHMVDZNLF-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638619697 357510105 /nfs/dbraw/zinc/51/01/05/357510105.db2.gz WRYMQLMCBJWZIQ-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000638438375 357476171 /nfs/dbraw/zinc/47/61/71/357476171.db2.gz VFVGAKFXKPDIRL-UHFFFAOYSA-N 2 1 250.302 -0.608 20 0 CBADMP C[C@]1(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000638439855 357477635 /nfs/dbraw/zinc/47/76/35/357477635.db2.gz LHOTXPHUTJLECZ-WZRBSPASSA-N 2 1 253.346 -0.282 20 0 CBADMP C[C@H]1CC[NH2+][C@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000638495386 357486140 /nfs/dbraw/zinc/48/61/40/357486140.db2.gz CBGFGJIRJUXNMT-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000638496583 357486443 /nfs/dbraw/zinc/48/64/43/357486443.db2.gz VFTRGSFMUUDFNZ-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000638644779 357515398 /nfs/dbraw/zinc/51/53/98/357515398.db2.gz SAAUAVILQHLMLN-SRVKXCTJSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000638644779 357515404 /nfs/dbraw/zinc/51/54/04/357515404.db2.gz SAAUAVILQHLMLN-SRVKXCTJSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@H](C(=O)N1C[C@H]([NH3+])C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000638929532 357545062 /nfs/dbraw/zinc/54/50/62/357545062.db2.gz BWYINRWIBRLVAQ-QJPTWQEYSA-N 2 1 254.378 -0.430 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638983229 357549033 /nfs/dbraw/zinc/54/90/33/357549033.db2.gz DJUOQAIHYIUOQC-YPMHNXCESA-N 2 1 291.355 -0.454 20 0 CBADMP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@@H]1C[NH2+]CCO1 ZINC000638987285 357549123 /nfs/dbraw/zinc/54/91/23/357549123.db2.gz OKWCWMQMDYBHDP-LBPRGKRZSA-N 2 1 291.355 -0.582 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000639049605 357555758 /nfs/dbraw/zinc/55/57/58/357555758.db2.gz VXEMXZCKLNDKKO-HNNXBMFYSA-N 2 1 285.432 -0.122 20 0 CBADMP CNS(=O)(=O)CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639086982 357556528 /nfs/dbraw/zinc/55/65/28/357556528.db2.gz BWMIOEZBYCYKAA-UHFFFAOYSA-N 2 1 293.433 -0.640 20 0 CBADMP Cn1ncnc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000639136925 357558195 /nfs/dbraw/zinc/55/81/95/357558195.db2.gz QIKBUZPRFXKROR-UHFFFAOYSA-N 2 1 266.393 -0.069 20 0 CBADMP Cn1ncnc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000639136925 357558197 /nfs/dbraw/zinc/55/81/97/357558197.db2.gz QIKBUZPRFXKROR-UHFFFAOYSA-N 2 1 266.393 -0.069 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000639114148 357558425 /nfs/dbraw/zinc/55/84/25/357558425.db2.gz KRKPNLBQMDDVMR-LLVKDONJSA-N 2 1 272.393 -0.321 20 0 CBADMP COC[C@@](C)(CO)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000639957191 357623568 /nfs/dbraw/zinc/62/35/68/357623568.db2.gz KXBYFPNOUFKKCD-CYBMUJFWSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](OC)C[C@@]1(C)CO ZINC000639999912 357626625 /nfs/dbraw/zinc/62/66/25/357626625.db2.gz BBACDSPFTKYJIR-XQQFMLRXSA-N 2 1 260.378 -0.229 20 0 CBADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000639999912 357626629 /nfs/dbraw/zinc/62/66/29/357626629.db2.gz BBACDSPFTKYJIR-XQQFMLRXSA-N 2 1 260.378 -0.229 20 0 CBADMP CCN(C)C[C@H](O)C[N@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000639999912 357626633 /nfs/dbraw/zinc/62/66/33/357626633.db2.gz BBACDSPFTKYJIR-XQQFMLRXSA-N 2 1 260.378 -0.229 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](OC)C[C@@]1(C)CO ZINC000639999912 357626639 /nfs/dbraw/zinc/62/66/39/357626639.db2.gz BBACDSPFTKYJIR-XQQFMLRXSA-N 2 1 260.378 -0.229 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](OC)C[C@@]1(C)CO ZINC000639999912 357626642 /nfs/dbraw/zinc/62/66/42/357626642.db2.gz BBACDSPFTKYJIR-XQQFMLRXSA-N 2 1 260.378 -0.229 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000639999912 357626647 /nfs/dbraw/zinc/62/66/47/357626647.db2.gz BBACDSPFTKYJIR-XQQFMLRXSA-N 2 1 260.378 -0.229 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000639999912 357626654 /nfs/dbraw/zinc/62/66/54/357626654.db2.gz BBACDSPFTKYJIR-XQQFMLRXSA-N 2 1 260.378 -0.229 20 0 CBADMP CCNC(=O)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639760554 357595527 /nfs/dbraw/zinc/59/55/27/357595527.db2.gz BRNGVHORRUKSOT-ZDUSSCGKSA-N 2 1 257.378 -0.099 20 0 CBADMP COCCOC[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767851 357597316 /nfs/dbraw/zinc/59/73/16/357597316.db2.gz UESQENGUHNRFNS-UONOGXRCSA-N 2 1 290.404 -0.601 20 0 CBADMP COCCOC[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767851 357597319 /nfs/dbraw/zinc/59/73/19/357597319.db2.gz UESQENGUHNRFNS-UONOGXRCSA-N 2 1 290.404 -0.601 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)n2cc(C[NH2+]C)nn2)CC1 ZINC000640830196 357665894 /nfs/dbraw/zinc/66/58/94/357665894.db2.gz HSSANKIAHSZIMU-LLVKDONJSA-N 2 1 280.376 -0.277 20 0 CBADMP CC[N@@H+](C)C[C@H](O)Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641222624 357680883 /nfs/dbraw/zinc/68/08/83/357680883.db2.gz MSLZEMJQAQRVKF-AWEZNQCLSA-N 2 1 296.419 -0.662 20 0 CBADMP C[N@@H+](C[C@@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1)C1CC1 ZINC000641220949 357681347 /nfs/dbraw/zinc/68/13/47/357681347.db2.gz DLPUVUGHKYQBDF-CQSZACIVSA-N 2 1 294.403 -0.862 20 0 CBADMP C[NH2+]C(C)(C)c1cn(C[C@@H](O)C[N@@H+](C)CCOC)nn1 ZINC000641224016 357682486 /nfs/dbraw/zinc/68/24/86/357682486.db2.gz RILYBQVDYGUCSO-NSHDSACASA-N 2 1 285.392 -0.328 20 0 CBADMP C[NH+](C)CCc1cn(C[C@@H](O)C[N@@H+](C)C2CC2)nn1 ZINC000641222740 357682991 /nfs/dbraw/zinc/68/29/91/357682991.db2.gz CXMLQHNFBCLKOM-ZDUSSCGKSA-N 2 1 267.377 -0.163 20 0 CBADMP Cn1cncc1CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000641797249 357742638 /nfs/dbraw/zinc/74/26/38/357742638.db2.gz ZETXEPMSGLZJTI-UHFFFAOYSA-N 2 1 251.378 -0.200 20 0 CBADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000641802743 357744146 /nfs/dbraw/zinc/74/41/46/357744146.db2.gz OIUVUEAPCYDVIR-MXWKQRLJSA-N 2 1 255.362 -0.003 20 0 CBADMP CC1(C)[C@H]([NH2+]CC(=O)NCCCN2CCCC2=O)C[C@@H]1[NH3+] ZINC000641803142 357744394 /nfs/dbraw/zinc/74/43/94/357744394.db2.gz AKSPFPVPAFFPLL-NWDGAFQWSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000641824201 357745670 /nfs/dbraw/zinc/74/56/70/357745670.db2.gz FGTBEWFLAYOGQG-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000641824201 357745672 /nfs/dbraw/zinc/74/56/72/357745672.db2.gz FGTBEWFLAYOGQG-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1(C)C ZINC000641825398 357746534 /nfs/dbraw/zinc/74/65/34/357746534.db2.gz UFLBSXXGZHGRAO-JTQLQIEISA-N 2 1 268.361 -0.901 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1(C)C ZINC000641825398 357746537 /nfs/dbraw/zinc/74/65/37/357746537.db2.gz UFLBSXXGZHGRAO-JTQLQIEISA-N 2 1 268.361 -0.901 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000641944835 357749070 /nfs/dbraw/zinc/74/90/70/357749070.db2.gz NXBMXTAONGCGLD-NSHDSACASA-N 2 1 272.393 -0.178 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000642403976 357754586 /nfs/dbraw/zinc/75/45/86/357754586.db2.gz PXFCAMOSWPOWOA-NSHDSACASA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C[N@H+]1C1CC1 ZINC000642718122 357758774 /nfs/dbraw/zinc/75/87/74/357758774.db2.gz IUGOQUNCRGIRAZ-PWSUYJOCSA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000642718192 357758840 /nfs/dbraw/zinc/75/88/40/357758840.db2.gz RJJPASJRXFXNBI-NTZNESFSSA-N 2 1 294.399 -0.323 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000642718195 357758971 /nfs/dbraw/zinc/75/89/71/357758971.db2.gz RTXTUUTUGQHASU-IJLUTSLNSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642718721 357759412 /nfs/dbraw/zinc/75/94/12/357759412.db2.gz JVPGOSNJAWPHJP-GXFFZTMASA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000642731666 357760056 /nfs/dbraw/zinc/76/00/56/357760056.db2.gz DHUSBUKYKYCTOO-MWLCHTKSSA-N 2 1 298.412 -0.070 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642732135 357760431 /nfs/dbraw/zinc/76/04/31/357760431.db2.gz DYACQPPGSGSDOZ-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC[NH2+]1 ZINC000642785863 357762572 /nfs/dbraw/zinc/76/25/72/357762572.db2.gz OLRKOBNEAAFYMP-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785658 357762699 /nfs/dbraw/zinc/76/26/99/357762699.db2.gz BWYCHDRDYUOSHP-QWHCGFSZSA-N 2 1 294.399 -0.545 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000642786016 357762721 /nfs/dbraw/zinc/76/27/21/357762721.db2.gz XFOIRNLKUPPLSV-OLZOCXBDSA-N 2 1 294.399 -0.593 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785664 357762753 /nfs/dbraw/zinc/76/27/53/357762753.db2.gz CJQYMWLIZDVBLC-CHWSQXEVSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642905124 357766748 /nfs/dbraw/zinc/76/67/48/357766748.db2.gz GZGQLYOXAYFVNR-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000642910373 357768597 /nfs/dbraw/zinc/76/85/97/357768597.db2.gz FMHJRXNAOAHXGQ-SNVBAGLBSA-N 2 1 268.361 -0.854 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000642985814 357774490 /nfs/dbraw/zinc/77/44/90/357774490.db2.gz ANOFOHPFEWGLGM-UTUOFQBUSA-N 2 1 282.388 -0.689 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)C[C@@H]21 ZINC000643589969 357791510 /nfs/dbraw/zinc/79/15/10/357791510.db2.gz CVWMGSSIHQRKRU-WOPDTQHZSA-N 2 1 280.372 -0.901 20 0 CBADMP C[C@@H](NCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000643472341 357784080 /nfs/dbraw/zinc/78/40/80/357784080.db2.gz YVDKZMAHUGTLII-CHWSQXEVSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NCC(=O)N1CC[NH+](C)CC1 ZINC000643472194 357784210 /nfs/dbraw/zinc/78/42/10/357784210.db2.gz GMVOQTAHBBAXII-NEPJUHHUSA-N 2 1 254.378 -0.652 20 0 CBADMP C[C@H]1CC[NH2+]C[C@@H]1NCC(=O)N1CC[NH+](C)CC1 ZINC000643472196 357784220 /nfs/dbraw/zinc/78/42/20/357784220.db2.gz GMVOQTAHBBAXII-RYUDHWBXSA-N 2 1 254.378 -0.652 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000643516020 357786973 /nfs/dbraw/zinc/78/69/73/357786973.db2.gz NCSOFVQMOTZBLV-LBPRGKRZSA-N 2 1 294.399 -0.497 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000353770925 283293377 /nfs/dbraw/zinc/29/33/77/283293377.db2.gz VOMWEKYQLZZPTP-DRZSPHRISA-N 2 1 294.399 -0.336 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000353770925 283293383 /nfs/dbraw/zinc/29/33/83/283293383.db2.gz VOMWEKYQLZZPTP-DRZSPHRISA-N 2 1 294.399 -0.336 20 0 CBADMP CNC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105915571 283312902 /nfs/dbraw/zinc/31/29/02/283312902.db2.gz BFDDDGZWGBAPGI-LLVKDONJSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C[N@H+]1C1CC1 ZINC000346124554 291131247 /nfs/dbraw/zinc/13/12/47/291131247.db2.gz XPEZNIFTIYESMT-RYUDHWBXSA-N 2 1 296.415 -0.252 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCOCC3CC3)CCN2C1=O ZINC000576528368 335215343 /nfs/dbraw/zinc/21/53/43/335215343.db2.gz GRVVDCXPWZWEHE-NWDGAFQWSA-N 2 1 253.346 -0.343 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[NH2+]CC1CC1 ZINC000430896466 283349730 /nfs/dbraw/zinc/34/97/30/283349730.db2.gz HZTAMVWLGCQEGF-GFCCVEGCSA-N 2 1 282.388 -0.558 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252862422 283365032 /nfs/dbraw/zinc/36/50/32/283365032.db2.gz OAWKNFXXHJIQST-NAKRPEOUSA-N 2 1 268.361 -0.110 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000516463177 291151480 /nfs/dbraw/zinc/15/14/80/291151480.db2.gz UCTMMJAZMHBNJP-SDDRHHMPSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)C[C@H]1C(=O)NCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420358923 291155789 /nfs/dbraw/zinc/15/57/89/291155789.db2.gz JUXKVTHSYMRCGW-RYUDHWBXSA-N 2 1 283.372 -0.260 20 0 CBADMP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420358923 291155790 /nfs/dbraw/zinc/15/57/90/291155790.db2.gz JUXKVTHSYMRCGW-RYUDHWBXSA-N 2 1 283.372 -0.260 20 0 CBADMP CC[N@H+]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)[C@H](C)C1 ZINC000341777025 216099441 /nfs/dbraw/zinc/09/94/41/216099441.db2.gz OYZKQAWYVLHGIP-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)[C@H](C)C1 ZINC000341777025 216099442 /nfs/dbraw/zinc/09/94/42/216099442.db2.gz OYZKQAWYVLHGIP-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)[C@H](C)C1 ZINC000341777025 216099445 /nfs/dbraw/zinc/09/94/45/216099445.db2.gz OYZKQAWYVLHGIP-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CCC[N@H+]1C ZINC000419557299 291284915 /nfs/dbraw/zinc/28/49/15/291284915.db2.gz MFNPQYNFXZLJDI-UWVGGRQHSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CCC[N@@H+]1C ZINC000419541717 291284750 /nfs/dbraw/zinc/28/47/50/291284750.db2.gz DGUHMWBAFPDQSW-IUCAKERBSA-N 2 1 292.330 -0.705 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CCC[N@H+]1C ZINC000419541717 291284751 /nfs/dbraw/zinc/28/47/51/291284751.db2.gz DGUHMWBAFPDQSW-IUCAKERBSA-N 2 1 292.330 -0.705 20 0 CBADMP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000037812746 296072009 /nfs/dbraw/zinc/07/20/09/296072009.db2.gz FUUOQJCWWUHUNX-WOPDTQHZSA-N 2 1 253.346 -0.594 20 0 CBADMP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000037812746 296072010 /nfs/dbraw/zinc/07/20/10/296072010.db2.gz FUUOQJCWWUHUNX-WOPDTQHZSA-N 2 1 253.346 -0.594 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1c[nH+]ccc1N ZINC000275702901 193108258 /nfs/dbraw/zinc/10/82/58/193108258.db2.gz SNDGACJYMYEUBJ-LBPRGKRZSA-N 2 1 291.355 -0.267 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1c[nH+]ccc1N ZINC000275702899 193108325 /nfs/dbraw/zinc/10/83/25/193108325.db2.gz SNDGACJYMYEUBJ-GFCCVEGCSA-N 2 1 291.355 -0.267 20 0 CBADMP CCC[C@](C)([NH3+])C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000037622098 284003800 /nfs/dbraw/zinc/00/38/00/284003800.db2.gz DEIUPYRSPGMWDQ-AWEZNQCLSA-N 2 1 284.404 -0.170 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000574262257 335004740 /nfs/dbraw/zinc/00/47/40/335004740.db2.gz PVPQYGDROOZENN-AWEZNQCLSA-N 2 1 295.431 -0.159 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CC[N@H+](C)C1 ZINC000413924025 284113559 /nfs/dbraw/zinc/11/35/59/284113559.db2.gz RWCSUOABHOWTOX-NEPJUHHUSA-N 2 1 283.372 -0.356 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+](C)C1 ZINC000413924025 284113560 /nfs/dbraw/zinc/11/35/60/284113560.db2.gz RWCSUOABHOWTOX-NEPJUHHUSA-N 2 1 283.372 -0.356 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+](C)C1 ZINC000413924025 284113561 /nfs/dbraw/zinc/11/35/61/284113561.db2.gz RWCSUOABHOWTOX-NEPJUHHUSA-N 2 1 283.372 -0.356 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC[NH+](C)C1 ZINC000413924025 284113562 /nfs/dbraw/zinc/11/35/62/284113562.db2.gz RWCSUOABHOWTOX-NEPJUHHUSA-N 2 1 283.372 -0.356 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000574288659 335007198 /nfs/dbraw/zinc/00/71/98/335007198.db2.gz QDLKRYSVDDECLF-RDBSUJKOSA-N 2 1 271.405 -0.296 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000574288658 335007347 /nfs/dbraw/zinc/00/73/47/335007347.db2.gz QDLKRYSVDDECLF-MJBXVCDLSA-N 2 1 271.405 -0.296 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000375977984 296137946 /nfs/dbraw/zinc/13/79/46/296137946.db2.gz VKBWZYQPAFVEBW-RWMBFGLXSA-N 2 1 283.372 -0.968 20 0 CBADMP C[N@@H+](C[C@@H](O)CNC[C@@H]1CCC[NH+]1CCCO)C1CC1 ZINC000576585166 335222530 /nfs/dbraw/zinc/22/25/30/335222530.db2.gz RQGZPTVXZGUNJW-GJZGRUSLSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@@H](O)CNC[C@@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000576585166 335222532 /nfs/dbraw/zinc/22/25/32/335222532.db2.gz RQGZPTVXZGUNJW-GJZGRUSLSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@@H](O)CNC[C@@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000576585166 335222533 /nfs/dbraw/zinc/22/25/33/335222533.db2.gz RQGZPTVXZGUNJW-GJZGRUSLSA-N 2 1 285.432 -0.122 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000331995321 204372040 /nfs/dbraw/zinc/37/20/40/204372040.db2.gz BHSRVGKAWONGHD-JHJVBQTASA-N 2 1 294.399 -0.593 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)C1(C[NH3+])CCOCC1 ZINC000344443891 217191939 /nfs/dbraw/zinc/19/19/39/217191939.db2.gz PVXKPMSHJDMJAT-UHFFFAOYSA-N 2 1 287.404 -0.174 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332736367 204937410 /nfs/dbraw/zinc/93/74/10/204937410.db2.gz VKKKELPEMIIELE-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332736367 204937413 /nfs/dbraw/zinc/93/74/13/204937413.db2.gz VKKKELPEMIIELE-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000084182217 372770258 /nfs/dbraw/zinc/77/02/58/372770258.db2.gz GNWIOSRKVULLGH-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000084182217 372770264 /nfs/dbraw/zinc/77/02/64/372770264.db2.gz GNWIOSRKVULLGH-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)c(=O)n(C)c2=O)CC[N@@H+]1C ZINC000093644812 372774892 /nfs/dbraw/zinc/77/48/92/372774892.db2.gz DCXWSKYQDXLKFP-AAEUAGOBSA-N 2 1 294.399 -0.002 20 0 CBADMP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)c(=O)n(C)c2=O)CC[N@H+]1C ZINC000093644812 372774902 /nfs/dbraw/zinc/77/49/02/372774902.db2.gz DCXWSKYQDXLKFP-AAEUAGOBSA-N 2 1 294.399 -0.002 20 0 CBADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)CC[NH+]1C ZINC000093644812 372774914 /nfs/dbraw/zinc/77/49/14/372774914.db2.gz DCXWSKYQDXLKFP-AAEUAGOBSA-N 2 1 294.399 -0.002 20 0 CBADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)CC[NH+]1C ZINC000093644812 372774925 /nfs/dbraw/zinc/77/49/25/372774925.db2.gz DCXWSKYQDXLKFP-AAEUAGOBSA-N 2 1 294.399 -0.002 20 0 CBADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)NC(N)=O)CC[C@@H]21 ZINC000162795198 372823729 /nfs/dbraw/zinc/82/37/29/372823729.db2.gz HAPDNYSAIXCCDO-QWRGUYRKSA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)NC(N)=O)CC[C@@H]21 ZINC000162795198 372823736 /nfs/dbraw/zinc/82/37/36/372823736.db2.gz HAPDNYSAIXCCDO-QWRGUYRKSA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)NC(N)=O)CC[C@@H]21 ZINC000162795198 372823741 /nfs/dbraw/zinc/82/37/41/372823741.db2.gz HAPDNYSAIXCCDO-QWRGUYRKSA-N 2 1 268.361 -0.013 20 0 CBADMP O=C([C@H]1COCC[NH2+]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000238011269 189897048 /nfs/dbraw/zinc/89/70/48/189897048.db2.gz VVFMCVLLRKZTQM-CHWSQXEVSA-N 2 1 267.373 -0.081 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN2CCN1CC2 ZINC000178969798 372839998 /nfs/dbraw/zinc/83/99/98/372839998.db2.gz KZSKMDQPTWUQPI-LBPRGKRZSA-N 2 1 254.378 -0.557 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000353473768 220102162 /nfs/dbraw/zinc/10/21/62/220102162.db2.gz VFMUCMUTWJYWAJ-WDEREUQCSA-N 2 1 259.350 -0.813 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000227374104 372877160 /nfs/dbraw/zinc/87/71/60/372877160.db2.gz NHRWJBWLWUZBIU-CHWSQXEVSA-N 2 1 287.404 -0.177 20 0 CBADMP C[C@]1(O)CCN(CC(O)C[N@H+]2CC[C@](C)(O)C2)C1 ZINC000248731281 372892231 /nfs/dbraw/zinc/89/22/31/372892231.db2.gz KRDUYTLSYJUMED-STQMWFEESA-N 2 1 258.362 -0.739 20 0 CBADMP C[C@]1(O)CC[NH+](CC(O)C[N@H+]2CC[C@](C)(O)C2)C1 ZINC000248731281 372892234 /nfs/dbraw/zinc/89/22/34/372892234.db2.gz KRDUYTLSYJUMED-STQMWFEESA-N 2 1 258.362 -0.739 20 0 CBADMP C[C@]1(O)CC[NH+](CC(O)C[N@@H+]2CC[C@](C)(O)C2)C1 ZINC000248731281 372892237 /nfs/dbraw/zinc/89/22/37/372892237.db2.gz KRDUYTLSYJUMED-STQMWFEESA-N 2 1 258.362 -0.739 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)C[NH3+] ZINC000262442671 372909814 /nfs/dbraw/zinc/90/98/14/372909814.db2.gz UVMWCWZGKGXRLX-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333350814 205242327 /nfs/dbraw/zinc/24/23/27/205242327.db2.gz JNRPFEQTYPPUFV-RDBSUJKOSA-N 2 1 298.431 -0.062 20 0 CBADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353503599 220123219 /nfs/dbraw/zinc/12/32/19/220123219.db2.gz SCPYXFUBZPWJSH-RYUDHWBXSA-N 2 1 284.404 -0.040 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353503599 220123220 /nfs/dbraw/zinc/12/32/20/220123220.db2.gz SCPYXFUBZPWJSH-RYUDHWBXSA-N 2 1 284.404 -0.040 20 0 CBADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353498878 220120174 /nfs/dbraw/zinc/12/01/74/220120174.db2.gz CVEWSGJEKHEFMJ-TUAOUCFPSA-N 2 1 284.404 -0.327 20 0 CBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353498878 220120177 /nfs/dbraw/zinc/12/01/77/220120177.db2.gz CVEWSGJEKHEFMJ-TUAOUCFPSA-N 2 1 284.404 -0.327 20 0 CBADMP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353501760 220122068 /nfs/dbraw/zinc/12/20/68/220122068.db2.gz NGECSCFSPJUVLD-NXEZZACHSA-N 2 1 256.350 -0.963 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353501760 220122071 /nfs/dbraw/zinc/12/20/71/220122071.db2.gz NGECSCFSPJUVLD-NXEZZACHSA-N 2 1 256.350 -0.963 20 0 CBADMP CN(C(=O)NCC[NH+]1CCSCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333393840 205282974 /nfs/dbraw/zinc/28/29/74/205282974.db2.gz PDMWQSXONLNCPW-QWRGUYRKSA-N 2 1 288.417 -0.991 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC[NH2+]1 ZINC000332306601 373002177 /nfs/dbraw/zinc/00/21/77/373002177.db2.gz WKPIXBINSAVPQP-AGIUHOORSA-N 2 1 294.399 -0.641 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)[C@@H](C)C[NH2+]1 ZINC000332655105 373005238 /nfs/dbraw/zinc/00/52/38/373005238.db2.gz VTTJLTLZVUGJMR-AGIUHOORSA-N 2 1 294.399 -0.498 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000333294648 373009385 /nfs/dbraw/zinc/00/93/85/373009385.db2.gz IDSAWHMVLODELS-MDZLAQPJSA-N 2 1 282.388 -0.019 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333476702 205354816 /nfs/dbraw/zinc/35/48/16/205354816.db2.gz BMRZUIUFYXPGLZ-VXGBXAGGSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333476702 205354820 /nfs/dbraw/zinc/35/48/20/205354820.db2.gz BMRZUIUFYXPGLZ-VXGBXAGGSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000339634260 373036745 /nfs/dbraw/zinc/03/67/45/373036745.db2.gz PRFSDLFGQGPTHQ-NSHDSACASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000340184889 373039367 /nfs/dbraw/zinc/03/93/67/373039367.db2.gz KNASLZRKJKEMSK-VHSXEESVSA-N 2 1 256.350 -0.963 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000333489731 205368118 /nfs/dbraw/zinc/36/81/18/205368118.db2.gz DCGPISAXVUDIAN-XQQFMLRXSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1C ZINC000346364776 373068886 /nfs/dbraw/zinc/06/88/86/373068886.db2.gz GCLZYBRMOURTCV-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000346364776 373068892 /nfs/dbraw/zinc/06/88/92/373068892.db2.gz GCLZYBRMOURTCV-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000346364776 373068896 /nfs/dbraw/zinc/06/88/96/373068896.db2.gz GCLZYBRMOURTCV-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000346364776 373068901 /nfs/dbraw/zinc/06/89/01/373068901.db2.gz GCLZYBRMOURTCV-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000346648999 373069164 /nfs/dbraw/zinc/06/91/64/373069164.db2.gz GIBSPJTZIBINHW-VHSXEESVSA-N 2 1 266.345 -0.747 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C[N@H+]1C1CC1 ZINC000346124547 373066490 /nfs/dbraw/zinc/06/64/90/373066490.db2.gz XPEZNIFTIYESMT-NEPJUHHUSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1C ZINC000346364779 373067516 /nfs/dbraw/zinc/06/75/16/373067516.db2.gz GCLZYBRMOURTCV-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000346364779 373067532 /nfs/dbraw/zinc/06/75/32/373067532.db2.gz GCLZYBRMOURTCV-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000346364779 373067535 /nfs/dbraw/zinc/06/75/35/373067535.db2.gz GCLZYBRMOURTCV-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000346364779 373067542 /nfs/dbraw/zinc/06/75/42/373067542.db2.gz GCLZYBRMOURTCV-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@](C)(C(N)=O)C1)C1CC1 ZINC000352357424 373103887 /nfs/dbraw/zinc/10/38/87/373103887.db2.gz MZOCZSGHJUPFEW-AAEUAGOBSA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@](C)(C(N)=O)C1)C1CC1 ZINC000352357424 373103895 /nfs/dbraw/zinc/10/38/95/373103895.db2.gz MZOCZSGHJUPFEW-AAEUAGOBSA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@](C)(C(N)=O)C1)C1CC1 ZINC000352357424 373103903 /nfs/dbraw/zinc/10/39/03/373103903.db2.gz MZOCZSGHJUPFEW-AAEUAGOBSA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@](C)(C(N)=O)C1)C1CC1 ZINC000352357424 373103906 /nfs/dbraw/zinc/10/39/06/373103906.db2.gz MZOCZSGHJUPFEW-AAEUAGOBSA-N 2 1 255.362 -0.361 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000353559382 220157970 /nfs/dbraw/zinc/15/79/70/220157970.db2.gz FYENDLNIBZTLGL-ZDUSSCGKSA-N 2 1 296.415 -0.040 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1COC[C@H]1O ZINC000361329377 373276571 /nfs/dbraw/zinc/27/65/71/373276571.db2.gz ZXGYYUXFXMRSSW-CHWSQXEVSA-N 2 1 257.378 -0.685 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000353585587 220174322 /nfs/dbraw/zinc/17/43/22/220174322.db2.gz ATVLGOJNTHFBJN-QWRGUYRKSA-N 2 1 270.377 -0.574 20 0 CBADMP C[C@@H](CC(N)=O)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000361107393 373263192 /nfs/dbraw/zinc/26/31/92/373263192.db2.gz HZTCCMLVPYOICK-JTQLQIEISA-N 2 1 256.350 -0.996 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCSC)C1 ZINC000353581237 220171381 /nfs/dbraw/zinc/17/13/81/220171381.db2.gz NJKDIMSOWOEYBI-MNOVXSKESA-N 2 1 275.418 -0.096 20 0 CBADMP CCC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353600701 220182961 /nfs/dbraw/zinc/18/29/61/220182961.db2.gz XNXIUCFRTHEVBV-VXGBXAGGSA-N 2 1 284.404 -0.183 20 0 CBADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353600084 220183591 /nfs/dbraw/zinc/18/35/91/220183591.db2.gz VZZFCUPVYXHABX-RYUDHWBXSA-N 2 1 284.404 -0.040 20 0 CBADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353600084 220183594 /nfs/dbraw/zinc/18/35/94/220183594.db2.gz VZZFCUPVYXHABX-RYUDHWBXSA-N 2 1 284.404 -0.040 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362501878 373418739 /nfs/dbraw/zinc/41/87/39/373418739.db2.gz XECKLZLNDCAKOJ-DGCLKSJQSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362501878 373418753 /nfs/dbraw/zinc/41/87/53/373418753.db2.gz XECKLZLNDCAKOJ-DGCLKSJQSA-N 2 1 296.415 -0.489 20 0 CBADMP [NH3+]C[C@@H]1CC[N@H+](CCn2nc3ccccn3c2=O)C1 ZINC000050247730 220194913 /nfs/dbraw/zinc/19/49/13/220194913.db2.gz OSEOKICKNBKXNM-NSHDSACASA-N 2 1 261.329 -0.223 20 0 CBADMP [NH3+]C[C@@H]1CC[N@@H+](CCn2nc3ccccn3c2=O)C1 ZINC000050247730 220194914 /nfs/dbraw/zinc/19/49/14/220194914.db2.gz OSEOKICKNBKXNM-NSHDSACASA-N 2 1 261.329 -0.223 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000362763874 373444822 /nfs/dbraw/zinc/44/48/22/373444822.db2.gz WZWRGWHMEUCJQX-MCIONIFRSA-N 2 1 282.432 -0.064 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000362869500 373457958 /nfs/dbraw/zinc/45/79/58/373457958.db2.gz WIQJHJIIFDMZSK-VNHYZAJKSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000362869500 373457966 /nfs/dbraw/zinc/45/79/66/373457966.db2.gz WIQJHJIIFDMZSK-VNHYZAJKSA-N 2 1 299.415 -0.617 20 0 CBADMP C[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000363569122 373499155 /nfs/dbraw/zinc/49/91/55/373499155.db2.gz KAXNBFPRDLVKDD-STQMWFEESA-N 2 1 282.388 -0.193 20 0 CBADMP C[NH+]1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000363569122 373499159 /nfs/dbraw/zinc/49/91/59/373499159.db2.gz KAXNBFPRDLVKDD-STQMWFEESA-N 2 1 282.388 -0.193 20 0 CBADMP C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)CN(C)C ZINC000367426465 373538242 /nfs/dbraw/zinc/53/82/42/373538242.db2.gz OUUDOMMYDWFZBE-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP C[NH+]1CCN([C@H]2CCCCN(C(=O)C3C[NH2+]C3)C2)CC1 ZINC000367828489 373539650 /nfs/dbraw/zinc/53/96/50/373539650.db2.gz UUFLUMLACDPIBT-AWEZNQCLSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000370772012 373550616 /nfs/dbraw/zinc/55/06/16/373550616.db2.gz JCPRZSZGSWHTDS-JSGCOSHPSA-N 2 1 286.395 -0.312 20 0 CBADMP [NH3+]C1(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000372099237 373554544 /nfs/dbraw/zinc/55/45/44/373554544.db2.gz SFXWGZKEOLFCHV-WDEREUQCSA-N 2 1 253.346 -0.465 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N[C@H](C)CC[NH3+] ZINC000417099424 373628406 /nfs/dbraw/zinc/62/84/06/373628406.db2.gz ZXLVDEAEGYJKCX-LLVKDONJSA-N 2 1 260.382 -0.009 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417096217 373628859 /nfs/dbraw/zinc/62/88/59/373628859.db2.gz VTKXABMMWKTQOD-WDEREUQCSA-N 2 1 260.382 -0.010 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417439996 373628956 /nfs/dbraw/zinc/62/89/56/373628956.db2.gz NHENESGDAQYCGW-OLZOCXBDSA-N 2 1 284.404 -0.042 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000417439022 373629076 /nfs/dbraw/zinc/62/90/76/373629076.db2.gz KOSQHDHZVVTGHX-NSHDSACASA-N 2 1 260.382 -0.153 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000417442539 373629617 /nfs/dbraw/zinc/62/96/17/373629617.db2.gz VAMXFOBKNDYTIY-NWDGAFQWSA-N 2 1 272.393 -0.044 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000418423182 373632069 /nfs/dbraw/zinc/63/20/69/373632069.db2.gz FKHOWHZPXXWUMB-QWRGUYRKSA-N 2 1 272.393 -0.180 20 0 CBADMP [NH3+][C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000418494364 373632408 /nfs/dbraw/zinc/63/24/08/373632408.db2.gz XSZZPDNRPRICAU-QWHCGFSZSA-N 2 1 284.404 -0.130 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@@H]1C ZINC000423394357 373657765 /nfs/dbraw/zinc/65/77/65/373657765.db2.gz RIHSUPAKWQKSOY-SDDRHHMPSA-N 2 1 282.388 -0.513 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@@H]1C ZINC000423394357 373657770 /nfs/dbraw/zinc/65/77/70/373657770.db2.gz RIHSUPAKWQKSOY-SDDRHHMPSA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)[C@H](C)[NH3+] ZINC000418699114 373633346 /nfs/dbraw/zinc/63/33/46/373633346.db2.gz NSWWBSQLXWVKON-QJPTWQEYSA-N 2 1 272.393 -0.132 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)[C@@H](C)C[NH2+]1 ZINC000419095540 373635261 /nfs/dbraw/zinc/63/52/61/373635261.db2.gz CLBFIXXBLMRZTN-MNOVXSKESA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418781569 373635620 /nfs/dbraw/zinc/63/56/20/373635620.db2.gz CRPFISFTUZMPBD-MGPQQGTHSA-N 2 1 298.431 -0.012 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)C1CC1 ZINC000419502247 373638048 /nfs/dbraw/zinc/63/80/48/373638048.db2.gz CLYLYFYVGBLMKZ-YPMHNXCESA-N 2 1 296.415 -0.299 20 0 CBADMP 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 373641673 /nfs/dbraw/zinc/64/16/73/373641673.db2.gz SDIJXRQLGMXKDI-YVECIDJPSA-N 2 1 296.415 -0.206 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000419852359 373641740 /nfs/dbraw/zinc/64/17/40/373641740.db2.gz QIYSUKSNJFXENJ-ZDUSSCGKSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH2+]CC2)CC[N@H+]1C ZINC000419852359 373641745 /nfs/dbraw/zinc/64/17/45/373641745.db2.gz QIYSUKSNJFXENJ-ZDUSSCGKSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000419892759 373642753 /nfs/dbraw/zinc/64/27/53/373642753.db2.gz UUSFVFIWJOVGFQ-VXGBXAGGSA-N 2 1 282.388 -0.737 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000419892759 373642758 /nfs/dbraw/zinc/64/27/58/373642758.db2.gz UUSFVFIWJOVGFQ-VXGBXAGGSA-N 2 1 282.388 -0.737 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419894467 373644370 /nfs/dbraw/zinc/64/43/70/373644370.db2.gz RDZYQBKIOUEPAZ-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419894467 373644379 /nfs/dbraw/zinc/64/43/79/373644379.db2.gz RDZYQBKIOUEPAZ-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000420006146 373646593 /nfs/dbraw/zinc/64/65/93/373646593.db2.gz QIISBIRBNNHBQY-MNOVXSKESA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000420006146 373646602 /nfs/dbraw/zinc/64/66/02/373646602.db2.gz QIISBIRBNNHBQY-MNOVXSKESA-N 2 1 270.377 -0.752 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419993826 373647238 /nfs/dbraw/zinc/64/72/38/373647238.db2.gz KRVIEHDFDSFJNZ-XQQFMLRXSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000420107252 373648913 /nfs/dbraw/zinc/64/89/13/373648913.db2.gz ASAFGJRSTJJNBC-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP O=C(CC[N@H+]1C[C@H]2CCC[C@@H](C1)N2)N1CC[NH2+]CC1 ZINC000420392691 373651530 /nfs/dbraw/zinc/65/15/30/373651530.db2.gz JDMQOVYKTCLCPZ-BETUJISGSA-N 2 1 266.389 -0.365 20 0 CBADMP O=C(CC[N@@H+]1C[C@H]2CCC[C@@H](C1)N2)N1CC[NH2+]CC1 ZINC000420392691 373651536 /nfs/dbraw/zinc/65/15/36/373651536.db2.gz JDMQOVYKTCLCPZ-BETUJISGSA-N 2 1 266.389 -0.365 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000422767652 373653660 /nfs/dbraw/zinc/65/36/60/373653660.db2.gz YQCIFRYXPKUJAQ-NWDGAFQWSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000422767652 373653668 /nfs/dbraw/zinc/65/36/68/373653668.db2.gz YQCIFRYXPKUJAQ-NWDGAFQWSA-N 2 1 255.362 -0.084 20 0 CBADMP C[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000492875260 373709611 /nfs/dbraw/zinc/70/96/11/373709611.db2.gz RUJFAUOTBFOMNB-CQSZACIVSA-N 2 1 280.416 -0.023 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424163704 373664824 /nfs/dbraw/zinc/66/48/24/373664824.db2.gz XYZUYELZIYUMHX-GRYCIOLGSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000430886525 373675128 /nfs/dbraw/zinc/67/51/28/373675128.db2.gz AOTGVWZHVJYUJO-QWRGUYRKSA-N 2 1 270.377 -0.573 20 0 CBADMP COCC(COC)[NH+]1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000493848110 373733300 /nfs/dbraw/zinc/73/33/00/373733300.db2.gz QFEXXGISFOFRSZ-WAYWQWQTSA-N 2 1 299.415 -0.090 20 0 CBADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000514663412 373759154 /nfs/dbraw/zinc/75/91/54/373759154.db2.gz QKSRCDUMKHLDLN-LBPRGKRZSA-N 2 1 297.403 -0.846 20 0 CBADMP NC(=O)c1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000521069886 373838433 /nfs/dbraw/zinc/83/84/33/373838433.db2.gz WUQMSEWSPOAKQH-STQMWFEESA-N 2 1 288.351 -0.471 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000516450399 373811497 /nfs/dbraw/zinc/81/14/97/373811497.db2.gz KQJLPDKQSJPCQE-ZDUSSCGKSA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH2+]C[C@](C)(O)CN(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000516657429 373819898 /nfs/dbraw/zinc/81/98/98/373819898.db2.gz YUMTVABALBIHRE-MJBXVCDLSA-N 2 1 273.421 -0.002 20 0 CBADMP C[NH2+]C[C@](C)(O)CN(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000516657429 373819899 /nfs/dbraw/zinc/81/98/99/373819899.db2.gz YUMTVABALBIHRE-MJBXVCDLSA-N 2 1 273.421 -0.002 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000516657429 373819904 /nfs/dbraw/zinc/81/99/04/373819904.db2.gz YUMTVABALBIHRE-MJBXVCDLSA-N 2 1 273.421 -0.002 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000516657429 373819908 /nfs/dbraw/zinc/81/99/08/373819908.db2.gz YUMTVABALBIHRE-MJBXVCDLSA-N 2 1 273.421 -0.002 20 0 CBADMP COC[C@@]1(C(=O)NCC(F)(F)C[NH3+])CC[NH2+]C1 ZINC000519773910 373825421 /nfs/dbraw/zinc/82/54/21/373825421.db2.gz WOHWJNQSWOIPPD-SECBINFHSA-N 2 1 251.277 -0.677 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)CC(F)(F)C[NH3+])C1 ZINC000520830610 373833868 /nfs/dbraw/zinc/83/38/68/373833868.db2.gz OUXICZFFAGHSOZ-VIFPVBQESA-N 2 1 265.304 -0.193 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)CC(F)(F)C[NH3+])C1 ZINC000520830610 373833875 /nfs/dbraw/zinc/83/38/75/373833875.db2.gz OUXICZFFAGHSOZ-VIFPVBQESA-N 2 1 265.304 -0.193 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000515302451 373781790 /nfs/dbraw/zinc/78/17/90/373781790.db2.gz UXBBQYFJWQVWBS-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000515619019 373790862 /nfs/dbraw/zinc/79/08/62/373790862.db2.gz FHORZGOSUVJNMO-MGPQQGTHSA-N 2 1 295.431 -0.184 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000515666227 373795703 /nfs/dbraw/zinc/79/57/03/373795703.db2.gz QLWBRSUGXWKVGZ-IJLUTSLNSA-N 2 1 257.378 -0.197 20 0 CBADMP NC(=O)c1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000521069886 373838425 /nfs/dbraw/zinc/83/84/25/373838425.db2.gz WUQMSEWSPOAKQH-STQMWFEESA-N 2 1 288.351 -0.471 20 0 CBADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000521611548 373846371 /nfs/dbraw/zinc/84/63/71/373846371.db2.gz DUKOWINYHBMRDG-WCQYABFASA-N 2 1 255.362 -0.348 20 0 CBADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000521611548 373846381 /nfs/dbraw/zinc/84/63/81/373846381.db2.gz DUKOWINYHBMRDG-WCQYABFASA-N 2 1 255.362 -0.348 20 0 CBADMP 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 205811683 /nfs/dbraw/zinc/81/16/83/205811683.db2.gz YQYNOBYXYCNEKU-OBPIAQAESA-N 2 1 282.388 -0.699 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N1CC[NH+](C)CC1 ZINC000522265191 373866330 /nfs/dbraw/zinc/86/63/30/373866330.db2.gz LHEKIAZQPLVZJH-OLZOCXBDSA-N 2 1 268.405 -0.310 20 0 CBADMP COCCN1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000523663885 373876548 /nfs/dbraw/zinc/87/65/48/373876548.db2.gz URIQLLPCUBUGPJ-LBPRGKRZSA-N 2 1 255.362 -0.271 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000523663885 373876554 /nfs/dbraw/zinc/87/65/54/373876554.db2.gz URIQLLPCUBUGPJ-LBPRGKRZSA-N 2 1 255.362 -0.271 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000523663885 373876560 /nfs/dbraw/zinc/87/65/60/373876560.db2.gz URIQLLPCUBUGPJ-LBPRGKRZSA-N 2 1 255.362 -0.271 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000527120826 373905384 /nfs/dbraw/zinc/90/53/84/373905384.db2.gz VKKLOKFSIBNYOU-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000527120826 373905387 /nfs/dbraw/zinc/90/53/87/373905387.db2.gz VKKLOKFSIBNYOU-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000527120826 373905391 /nfs/dbraw/zinc/90/53/91/373905391.db2.gz VKKLOKFSIBNYOU-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529376726 374017660 /nfs/dbraw/zinc/01/76/60/374017660.db2.gz SAVPENNNVUKBIJ-UPJWGTAASA-N 2 1 284.404 -0.044 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529378666 374019754 /nfs/dbraw/zinc/01/97/54/374019754.db2.gz XTOFVPOBJAIINS-QWHCGFSZSA-N 2 1 284.404 -0.042 20 0 CBADMP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000529384040 374022071 /nfs/dbraw/zinc/02/20/71/374022071.db2.gz XWGPQQGHMYZQCT-WCQYABFASA-N 2 1 282.388 -0.147 20 0 CBADMP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)C[C@H](C)[N@@H+]1C ZINC000529383068 374022405 /nfs/dbraw/zinc/02/24/05/374022405.db2.gz FCMYELRLAUIAME-GRYCIOLGSA-N 2 1 270.377 -0.291 20 0 CBADMP CNC(=O)NC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000530208442 374066723 /nfs/dbraw/zinc/06/67/23/374066723.db2.gz UBJRNKHWSVJGAY-LBPRGKRZSA-N 2 1 270.377 -0.384 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000530231707 374069268 /nfs/dbraw/zinc/06/92/68/374069268.db2.gz KYUWVRLTBUDHCV-AWEZNQCLSA-N 2 1 296.415 -0.344 20 0 CBADMP CCOC[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000530231423 374070032 /nfs/dbraw/zinc/07/00/32/374070032.db2.gz HQZJALFJPZKHMM-CYBMUJFWSA-N 2 1 285.388 -0.454 20 0 CBADMP CCOC[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000530231423 374070035 /nfs/dbraw/zinc/07/00/35/374070035.db2.gz HQZJALFJPZKHMM-CYBMUJFWSA-N 2 1 285.388 -0.454 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CC2)C[C@@H]1O ZINC000552157017 374261470 /nfs/dbraw/zinc/26/14/70/374261470.db2.gz AMSDNHXLIMGOQV-AGIUHOORSA-N 2 1 267.373 -0.254 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)NCCC[NH+]1CCOCC1 ZINC000562175686 374307469 /nfs/dbraw/zinc/30/74/69/374307469.db2.gz QKSPIACWPNZOQO-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)CCOC3C[NH2+]C3)[C@H]2C1 ZINC000583320410 374362053 /nfs/dbraw/zinc/36/20/53/374362053.db2.gz SJDHNZUCBGZMQR-AAEUAGOBSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000583753369 374365381 /nfs/dbraw/zinc/36/53/81/374365381.db2.gz XMCIJFBIJVQGTN-QJPTWQEYSA-N 2 1 296.415 -0.171 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000577955507 374347295 /nfs/dbraw/zinc/34/72/95/374347295.db2.gz WATSDRFDFQQDKK-WDEREUQCSA-N 2 1 271.361 -0.275 20 0 CBADMP C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000578051316 374350548 /nfs/dbraw/zinc/35/05/48/374350548.db2.gz MDHAVEFYLSMQSO-ZYHUDNBSSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000578051315 374350857 /nfs/dbraw/zinc/35/08/57/374350857.db2.gz MDHAVEFYLSMQSO-PWSUYJOCSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H]([NH2+]C[C@H](O)CN1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000644562915 374594980 /nfs/dbraw/zinc/59/49/80/374594980.db2.gz IHFGZMRMKNRBKF-HOCLYGCPSA-N 2 1 298.475 -0.085 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000644569670 374596773 /nfs/dbraw/zinc/59/67/73/374596773.db2.gz LHETTYVYVDLFAV-OLZOCXBDSA-N 2 1 257.378 -0.637 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000644569672 374597413 /nfs/dbraw/zinc/59/74/13/374597413.db2.gz LHETTYVYVDLFAV-STQMWFEESA-N 2 1 257.378 -0.637 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCC(=O)N1)C1CC1 ZINC000644635312 374604484 /nfs/dbraw/zinc/60/44/84/374604484.db2.gz YBWKMHSMUIVTOO-PWSUYJOCSA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCC(=O)N1)C1CC1 ZINC000644635312 374604486 /nfs/dbraw/zinc/60/44/86/374604486.db2.gz YBWKMHSMUIVTOO-PWSUYJOCSA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@@H+]1C[C@H]2CCN(CC(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000644729789 374614423 /nfs/dbraw/zinc/61/44/23/374614423.db2.gz GWPPEJPMFDJHTA-CHWSQXEVSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@H+]1C[C@H]2CCN(CC(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000644729789 374614431 /nfs/dbraw/zinc/61/44/31/374614431.db2.gz GWPPEJPMFDJHTA-CHWSQXEVSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000645684666 374692180 /nfs/dbraw/zinc/69/21/80/374692180.db2.gz DGWFTLKNJORMQV-MNOVXSKESA-N 2 1 268.361 -0.935 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000645685305 374692475 /nfs/dbraw/zinc/69/24/75/374692475.db2.gz ZURFHVIVXYPSCH-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000645685210 374692693 /nfs/dbraw/zinc/69/26/93/374692693.db2.gz VKPWEEUGIWVFRY-RYUDHWBXSA-N 2 1 292.387 -0.146 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)COCC[NH3+])CC1 ZINC000646190299 374752857 /nfs/dbraw/zinc/75/28/57/374752857.db2.gz LCVGSXSNOBMWTC-CYBMUJFWSA-N 2 1 286.420 -0.649 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CC(C)(C)[NH3+] ZINC000645947084 374717623 /nfs/dbraw/zinc/71/76/23/374717623.db2.gz KVIJBOADBAYPOJ-LLVKDONJSA-N 2 1 256.394 -0.134 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)CC(C)(C)[NH3+])CC1 ZINC000645961287 374719200 /nfs/dbraw/zinc/71/92/00/374719200.db2.gz GHZVUAKIQRAKIG-UHFFFAOYSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000646003031 374724847 /nfs/dbraw/zinc/72/48/47/374724847.db2.gz OGFIVRHDPYCLJQ-NEPJUHHUSA-N 2 1 254.378 -0.428 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]1 ZINC000646009384 374726869 /nfs/dbraw/zinc/72/68/69/374726869.db2.gz GBADWKJXQVJBPH-UONOGXRCSA-N 2 1 296.415 -0.739 20 0 CBADMP C[NH2+]CCCC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009599 374727372 /nfs/dbraw/zinc/72/73/72/374727372.db2.gz WQRUNUGQXKNPIL-CQSZACIVSA-N 2 1 298.431 -0.491 20 0 CBADMP COC[C@H](O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104403 374740355 /nfs/dbraw/zinc/74/03/55/374740355.db2.gz LVILWJCZCDGWAS-GFCCVEGCSA-N 2 1 258.362 -0.210 20 0 CBADMP C[NH+]1CCC2(CC1)C[N@H+](CCN1C(=O)CNC1=O)CCO2 ZINC000646104743 374740458 /nfs/dbraw/zinc/74/04/58/374740458.db2.gz WVTSKSIUWIVBBJ-UHFFFAOYSA-N 2 1 296.371 -0.665 20 0 CBADMP C[NH+]1CCC2(CC1)C[N@@H+](CCN1C(=O)CNC1=O)CCO2 ZINC000646104743 374740460 /nfs/dbraw/zinc/74/04/60/374740460.db2.gz WVTSKSIUWIVBBJ-UHFFFAOYSA-N 2 1 296.371 -0.665 20 0 CBADMP [NH3+][C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000646637170 374798521 /nfs/dbraw/zinc/79/85/21/374798521.db2.gz YMUSWJIFKNWQNT-ZDUSSCGKSA-N 2 1 276.340 -0.766 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000646853514 374828707 /nfs/dbraw/zinc/82/87/07/374828707.db2.gz HMNZEKLRFQEJLD-UTUOFQBUSA-N 2 1 271.361 -0.718 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000646853514 374828714 /nfs/dbraw/zinc/82/87/14/374828714.db2.gz HMNZEKLRFQEJLD-UTUOFQBUSA-N 2 1 271.361 -0.718 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000646351728 374772317 /nfs/dbraw/zinc/77/23/17/374772317.db2.gz CXCUUFXGUCCTCH-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP O=C(C[NH2+]C[C@@H]1CCCO1)NCC[N@@H+]1CCCOCC1 ZINC000646505266 374783225 /nfs/dbraw/zinc/78/32/25/374783225.db2.gz HNWSKSRAVRAPMQ-ZDUSSCGKSA-N 2 1 285.388 -0.407 20 0 CBADMP O=C(C[NH2+]C[C@@H]1CCCO1)NCC[N@H+]1CCCOCC1 ZINC000646505266 374783234 /nfs/dbraw/zinc/78/32/34/374783234.db2.gz HNWSKSRAVRAPMQ-ZDUSSCGKSA-N 2 1 285.388 -0.407 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000647085557 374883888 /nfs/dbraw/zinc/88/38/88/374883888.db2.gz RPXYVKKNGMMPFA-RUXDESIVSA-N 2 1 298.431 -0.317 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000574543543 335028496 /nfs/dbraw/zinc/02/84/96/335028496.db2.gz VMQNMEMFSZRLEY-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000646974914 374854382 /nfs/dbraw/zinc/85/43/82/374854382.db2.gz LZINHZKOMFMTFS-YNEHKIRRSA-N 2 1 294.399 -0.593 20 0 CBADMP [NH3+]C1(CC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC1 ZINC000646975069 374854560 /nfs/dbraw/zinc/85/45/60/374854560.db2.gz XEZZMIVVBBJQOB-LBPRGKRZSA-N 2 1 294.399 -0.319 20 0 CBADMP [NH3+]C1(CC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCC1 ZINC000646975068 374854975 /nfs/dbraw/zinc/85/49/75/374854975.db2.gz XEZZMIVVBBJQOB-GFCCVEGCSA-N 2 1 294.399 -0.319 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NCCNc1cc[nH+]cc1 ZINC000356312072 248232681 /nfs/dbraw/zinc/23/26/81/248232681.db2.gz OXPHRSMIOOYCLM-UHFFFAOYSA-N 2 1 295.387 -0.207 20 0 CBADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000357093603 248320500 /nfs/dbraw/zinc/32/05/00/248320500.db2.gz WWCBIEYXHWAYKF-STQMWFEESA-N 2 1 267.373 -0.223 20 0 CBADMP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000357093603 248320505 /nfs/dbraw/zinc/32/05/05/248320505.db2.gz WWCBIEYXHWAYKF-STQMWFEESA-N 2 1 267.373 -0.223 20 0 CBADMP COC[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357176242 248332638 /nfs/dbraw/zinc/33/26/38/248332638.db2.gz NEWMMCQZPXKSNT-FRRDWIJNSA-N 2 1 287.404 -0.034 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000357250287 248340839 /nfs/dbraw/zinc/34/08/39/248340839.db2.gz UAYXKZZMCMEXAW-NTZNESFSSA-N 2 1 267.373 -0.036 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446366366 295153451 /nfs/dbraw/zinc/15/34/51/295153451.db2.gz IPYUHSVCSXSBNR-HBNTYKKESA-N 2 1 286.351 -0.858 20 0 CBADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@H]1COCC[NH2+]1 ZINC000424160378 295215553 /nfs/dbraw/zinc/21/55/53/295215553.db2.gz ASCXRYPBXDHNNT-TZMBILIQSA-N 2 1 253.346 -0.393 20 0 CBADMP CCC(=O)N1CCC([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC001322634540 803920427 /nfs/dbraw/zinc/92/04/27/803920427.db2.gz UYQPFUSZRIIGBC-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(=O)n(C)c1=O ZINC000346851426 218035776 /nfs/dbraw/zinc/03/57/76/218035776.db2.gz JUNJJHXPTQSRIZ-WCQGTBRESA-N 2 1 278.356 -0.747 20 0 CBADMP CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000346969037 218073246 /nfs/dbraw/zinc/07/32/46/218073246.db2.gz KBPUHPRIUKKVOI-GFCCVEGCSA-N 2 1 275.418 0.000 20 0 CBADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000347175701 218145103 /nfs/dbraw/zinc/14/51/03/218145103.db2.gz QERGTQSBUPCQNA-LLVKDONJSA-N 2 1 280.372 -0.485 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000347186998 218150381 /nfs/dbraw/zinc/15/03/81/218150381.db2.gz FTIMUSCBQGIDQV-LBPRGKRZSA-N 2 1 274.409 -0.060 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278651439 194083998 /nfs/dbraw/zinc/08/39/98/194083998.db2.gz ALWDCQJETDCZCG-LLVKDONJSA-N 2 1 295.387 -0.205 20 0 CBADMP C[N@@H+](CCNC(=O)CNC(=O)C[NH3+])C1CCCCC1 ZINC000347628087 218297060 /nfs/dbraw/zinc/29/70/60/218297060.db2.gz XFLZRFNZXUPSJU-UHFFFAOYSA-N 2 1 270.377 -0.558 20 0 CBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000347653990 218308851 /nfs/dbraw/zinc/30/88/51/218308851.db2.gz HLLFZEAWBCPCOI-LLVKDONJSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@H](CNC(=O)CNC(=O)C[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000347669014 218315048 /nfs/dbraw/zinc/31/50/48/218315048.db2.gz MGXYFSKUNQVRFF-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(CCOC)CC[NH2+]C2)C1 ZINC000376720044 532979622 /nfs/dbraw/zinc/97/96/22/532979622.db2.gz KEQKDVLOSLPJNM-UKRRQHHQSA-N 2 1 299.415 -0.161 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](C[NH3+])OC ZINC000262823024 285020314 /nfs/dbraw/zinc/02/03/14/285020314.db2.gz GZZHSGBVDVILDM-VXGBXAGGSA-N 2 1 273.377 -0.423 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH3+] ZINC000417570841 285023777 /nfs/dbraw/zinc/02/37/77/285023777.db2.gz SGQICAOHTGHGHV-LLVKDONJSA-N 2 1 258.366 -0.255 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419577374 207711453 /nfs/dbraw/zinc/71/14/53/207711453.db2.gz CYVCPKRDYVBXMC-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428029050 208075090 /nfs/dbraw/zinc/07/50/90/208075090.db2.gz CPLUUKIDEPKYRM-QWRGUYRKSA-N 2 1 261.391 -0.391 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428029050 208075095 /nfs/dbraw/zinc/07/50/95/208075095.db2.gz CPLUUKIDEPKYRM-QWRGUYRKSA-N 2 1 261.391 -0.391 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428037210 208077376 /nfs/dbraw/zinc/07/73/76/208077376.db2.gz JHDHHVFPYCGNCD-VXGBXAGGSA-N 2 1 275.418 -0.048 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428037210 208077381 /nfs/dbraw/zinc/07/73/81/208077381.db2.gz JHDHHVFPYCGNCD-VXGBXAGGSA-N 2 1 275.418 -0.048 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000428194031 208081862 /nfs/dbraw/zinc/08/18/62/208081862.db2.gz JAYXNTXPYGOZAJ-LBPRGKRZSA-N 2 1 254.378 -0.508 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000428437673 208087741 /nfs/dbraw/zinc/08/77/41/208087741.db2.gz FUOKGTXNKCFTSJ-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000428437672 208087817 /nfs/dbraw/zinc/08/78/17/208087817.db2.gz FUOKGTXNKCFTSJ-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000428531213 208090206 /nfs/dbraw/zinc/09/02/06/208090206.db2.gz AJSQLNOSNACZJY-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC000428531213 208090212 /nfs/dbraw/zinc/09/02/12/208090212.db2.gz AJSQLNOSNACZJY-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000428645995 208094767 /nfs/dbraw/zinc/09/47/67/208094767.db2.gz UXJSVHDZFVMYRD-UHFFFAOYSA-N 2 1 297.447 -0.965 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(C)(CO)CO ZINC000429677307 208127607 /nfs/dbraw/zinc/12/76/07/208127607.db2.gz WHXYVKPDPUXGKJ-UHFFFAOYSA-N 2 1 287.404 -0.927 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(C)(CO)CO ZINC000429677307 208127608 /nfs/dbraw/zinc/12/76/08/208127608.db2.gz WHXYVKPDPUXGKJ-UHFFFAOYSA-N 2 1 287.404 -0.927 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(C)(C)O ZINC000429666371 208128308 /nfs/dbraw/zinc/12/83/08/208128308.db2.gz FJZSHDXWNSSEPZ-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(C)(C)O ZINC000429666371 208128311 /nfs/dbraw/zinc/12/83/11/208128311.db2.gz FJZSHDXWNSSEPZ-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP COC(=O)[C@H](C)C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429682887 208129160 /nfs/dbraw/zinc/12/91/60/208129160.db2.gz HLFOKVVCZVPJHR-GFCCVEGCSA-N 2 1 285.388 -0.109 20 0 CBADMP COC(=O)[C@H](C)C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429682887 208129163 /nfs/dbraw/zinc/12/91/63/208129163.db2.gz HLFOKVVCZVPJHR-GFCCVEGCSA-N 2 1 285.388 -0.109 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429020864 208108397 /nfs/dbraw/zinc/10/83/97/208108397.db2.gz OCPDQDWDENAWJW-CYBMUJFWSA-N 2 1 268.361 -0.140 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429020864 208108404 /nfs/dbraw/zinc/10/84/04/208108404.db2.gz OCPDQDWDENAWJW-CYBMUJFWSA-N 2 1 268.361 -0.140 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429020864 208108410 /nfs/dbraw/zinc/10/84/10/208108410.db2.gz OCPDQDWDENAWJW-CYBMUJFWSA-N 2 1 268.361 -0.140 20 0 CBADMP CC[NH+]1CCC([NH2+]CCNS(=O)(=O)NC(C)C)CC1 ZINC000429415568 208121532 /nfs/dbraw/zinc/12/15/32/208121532.db2.gz APPOQTADZJVDGQ-UHFFFAOYSA-N 2 1 292.449 -0.107 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000430717236 208174856 /nfs/dbraw/zinc/17/48/56/208174856.db2.gz YHZHBIZRNQZHLN-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@@H]([NH3+])C2)CC1 ZINC000430589652 208166606 /nfs/dbraw/zinc/16/66/06/208166606.db2.gz FJKAOYIPLMEMBM-VXGBXAGGSA-N 2 1 254.378 -0.428 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C[NH2+]CC2CC2)CC1 ZINC000430726195 208175511 /nfs/dbraw/zinc/17/55/11/208175511.db2.gz YZUDVXCFSNRIAS-UHFFFAOYSA-N 2 1 296.415 -0.345 20 0 CBADMP COCCOCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430636399 208168342 /nfs/dbraw/zinc/16/83/42/208168342.db2.gz YLQWECAAHOHAOE-CQSZACIVSA-N 2 1 299.415 -0.207 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000430635055 208169386 /nfs/dbraw/zinc/16/93/86/208169386.db2.gz FVFLUMFSDWBKSV-ZDUSSCGKSA-N 2 1 296.415 -0.310 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000430636473 208169546 /nfs/dbraw/zinc/16/95/46/208169546.db2.gz JGNZRFZRUAMROK-YPMHNXCESA-N 2 1 294.399 -0.463 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)C[C@H]2C[NH2+]CCO2)n1C ZINC000430718552 208175297 /nfs/dbraw/zinc/17/52/97/208175297.db2.gz GUKGTPRPJZDSKG-NSHDSACASA-N 2 1 281.360 -0.519 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000430711407 208175828 /nfs/dbraw/zinc/17/58/28/208175828.db2.gz FHKJAJJXPPNPBL-DGCLKSJQSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000430717233 208176055 /nfs/dbraw/zinc/17/60/55/208176055.db2.gz YHZHBIZRNQZHLN-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[NH2+]CC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000431012768 285075614 /nfs/dbraw/zinc/07/56/14/285075614.db2.gz CQEXYKWMHGCDEW-CYBMUJFWSA-N 2 1 286.420 -0.778 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CC[NH2+]C2)n1C ZINC000430720582 208176369 /nfs/dbraw/zinc/17/63/69/208176369.db2.gz NBGBWURSZDLUPO-VIFPVBQESA-N 2 1 251.334 -0.288 20 0 CBADMP CC[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000430769574 208182181 /nfs/dbraw/zinc/18/21/81/208182181.db2.gz WJAYFUUIDLGOTD-NSHDSACASA-N 2 1 292.387 -0.072 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000430903280 208189180 /nfs/dbraw/zinc/18/91/80/208189180.db2.gz HDDQHLYJSRVGSG-QWRGUYRKSA-N 2 1 268.361 -0.948 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CCC[NH3+])C1 ZINC000430897730 208189736 /nfs/dbraw/zinc/18/97/36/208189736.db2.gz QKHVQFPJPOGZKK-LLVKDONJSA-N 2 1 270.377 -0.571 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000430896937 208189975 /nfs/dbraw/zinc/18/99/75/208189975.db2.gz JLMOHWMCGIYOSV-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000430897489 208190535 /nfs/dbraw/zinc/19/05/35/208190535.db2.gz NWNBYPABOPRGGB-RYUDHWBXSA-N 2 1 282.388 -0.701 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)c2csc(C[NH3+])n2)CC1 ZINC000431008135 208197558 /nfs/dbraw/zinc/19/75/58/208197558.db2.gz ISKJQDXHWGQMCZ-UHFFFAOYSA-N 2 1 297.428 -0.031 20 0 CBADMP COCC[NH2+]CCNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000418514273 285079751 /nfs/dbraw/zinc/07/97/51/285079751.db2.gz WSCAQMBEVROLQA-UHFFFAOYSA-N 2 1 270.377 -0.217 20 0 CBADMP CC(C)[C@@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000433174751 208242158 /nfs/dbraw/zinc/24/21/58/208242158.db2.gz KHGDNFYPLPJZHS-CHWSQXEVSA-N 2 1 298.431 -0.079 20 0 CBADMP Cn1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c(=O)n(C)c1=O ZINC000435445179 208279633 /nfs/dbraw/zinc/27/96/33/208279633.db2.gz CVZLCZNLWYAWET-GFCCVEGCSA-N 2 1 280.372 -0.342 20 0 CBADMP CC[N@H+](CC(=O)NC(=O)NC)[C@@H]1CCC[NH2+]CC1 ZINC000435630986 208282512 /nfs/dbraw/zinc/28/25/12/208282512.db2.gz ZFNYLXVQSIPZIY-SNVBAGLBSA-N 2 1 256.350 -0.094 20 0 CBADMP CC[N@@H+](CC(=O)NC(=O)NC)[C@@H]1CCC[NH2+]CC1 ZINC000435630986 208282517 /nfs/dbraw/zinc/28/25/17/208282517.db2.gz ZFNYLXVQSIPZIY-SNVBAGLBSA-N 2 1 256.350 -0.094 20 0 CBADMP CCCC[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000442712857 208361015 /nfs/dbraw/zinc/36/10/15/208361015.db2.gz HDYAXAILLJERCQ-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CCCC[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000442712855 208361632 /nfs/dbraw/zinc/36/16/32/208361632.db2.gz HDYAXAILLJERCQ-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)N1CCOCC1 ZINC000442765400 208365999 /nfs/dbraw/zinc/36/59/99/208365999.db2.gz JLPXHNKAQGRYDQ-VXGBXAGGSA-N 2 1 255.362 -0.096 20 0 CBADMP Cn1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(=O)n(C)c1=O ZINC000442920577 208369024 /nfs/dbraw/zinc/36/90/24/208369024.db2.gz HDFYPPMKKKQMPI-LLVKDONJSA-N 2 1 280.372 -0.355 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)C(=O)N(C)C ZINC000443055340 208378660 /nfs/dbraw/zinc/37/86/60/208378660.db2.gz BGLBQFYRKWNVQD-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419576786 285202812 /nfs/dbraw/zinc/20/28/12/285202812.db2.gz CHEVZSIFOQPHFU-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000330767305 285245286 /nfs/dbraw/zinc/24/52/86/285245286.db2.gz RNEYTLUPVVXOBD-ZDUSSCGKSA-N 2 1 288.388 -0.847 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420088876 285256122 /nfs/dbraw/zinc/25/61/22/285256122.db2.gz ISRVSXMEKVDAJU-LLVKDONJSA-N 2 1 282.388 -0.416 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC(=O)NC ZINC000355976447 285275719 /nfs/dbraw/zinc/27/57/19/285275719.db2.gz AODSKXUNYVSGEZ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)NC ZINC000429246185 285282651 /nfs/dbraw/zinc/28/26/51/285282651.db2.gz FTIWCWNSSJPOAY-LBPRGKRZSA-N 2 1 292.449 -0.202 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000236882192 285318186 /nfs/dbraw/zinc/31/81/86/285318186.db2.gz LMSLUGXWRHVLFJ-UONOGXRCSA-N 2 1 282.432 -0.014 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](C)[NH3+])CC1 ZINC000340184136 285322277 /nfs/dbraw/zinc/32/22/77/285322277.db2.gz PYUZXEACNXOTIP-NEPJUHHUSA-N 2 1 256.394 -0.277 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000261934115 285355924 /nfs/dbraw/zinc/35/59/24/285355924.db2.gz IULBCJZSRVJPCY-DGCLKSJQSA-N 2 1 255.362 -0.096 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000261934115 285355925 /nfs/dbraw/zinc/35/59/25/285355925.db2.gz IULBCJZSRVJPCY-DGCLKSJQSA-N 2 1 255.362 -0.096 20 0 CBADMP COC[C@]1(C(=O)N2CC[NH+](C3CC3)CC2)CC[NH2+]C1 ZINC000261579317 285476018 /nfs/dbraw/zinc/47/60/18/285476018.db2.gz DRZDCTXYGSAZIO-AWEZNQCLSA-N 2 1 267.373 -0.081 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@]1(C)CCC(=O)N1)C1CC1 ZINC000575117399 335068298 /nfs/dbraw/zinc/06/82/98/335068298.db2.gz MPOQBOJRCHRMGN-DGCLKSJQSA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@]1(C)CCC(=O)N1)C1CC1 ZINC000575117399 335068299 /nfs/dbraw/zinc/06/82/99/335068299.db2.gz MPOQBOJRCHRMGN-DGCLKSJQSA-N 2 1 255.362 -0.300 20 0 CBADMP CCOC[C@@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182968853 286140737 /nfs/dbraw/zinc/14/07/37/286140737.db2.gz DSICHNOZXUOPEZ-AWEZNQCLSA-N 2 1 273.421 -0.047 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC2([NH3+])CCC2)[C@H](C)C1 ZINC000332457754 287090329 /nfs/dbraw/zinc/09/03/29/287090329.db2.gz ICSHVMVOCFFYDZ-VXGBXAGGSA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC2([NH3+])CCC2)C[C@@H]1C ZINC000332490935 287090356 /nfs/dbraw/zinc/09/03/56/287090356.db2.gz RZRDMQNTWPCFRW-NWDGAFQWSA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662747174 413991773 /nfs/dbraw/zinc/99/17/73/413991773.db2.gz UMGFQEZKQDMJQG-GRYCIOLGSA-N 2 1 255.362 -0.192 20 0 CBADMP CN[C@@H](C(=O)NCC[N@@H+](C)CCCOC)c1cnn(C)c1 ZINC000285750051 196386504 /nfs/dbraw/zinc/38/65/04/196386504.db2.gz JBWKRVJLNQDNMR-CYBMUJFWSA-N 2 1 297.403 -0.235 20 0 CBADMP C[NH2+][C@@H](C(=O)NCC[N@@H+](C)CCCOC)c1cnn(C)c1 ZINC000285750051 196386508 /nfs/dbraw/zinc/38/65/08/196386508.db2.gz JBWKRVJLNQDNMR-CYBMUJFWSA-N 2 1 297.403 -0.235 20 0 CBADMP CC[NH+]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000071215318 176086800 /nfs/dbraw/zinc/08/68/00/176086800.db2.gz ZTTNQGUCUGAHGX-UHFFFAOYSA-N 2 1 292.387 -0.020 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000353460137 287321829 /nfs/dbraw/zinc/32/18/29/287321829.db2.gz NWEJSSRXKUIKRF-XQQFMLRXSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCC[NH3+])C1 ZINC000419410952 287348716 /nfs/dbraw/zinc/34/87/16/287348716.db2.gz PFYJULKTKWFRGK-LLVKDONJSA-N 2 1 270.377 -0.701 20 0 CBADMP Cc1nccn1CC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347539877 226187320 /nfs/dbraw/zinc/18/73/20/226187320.db2.gz LSAOPOXGGRFKKR-LLVKDONJSA-N 2 1 272.374 -0.056 20 0 CBADMP Cc1nccn1CCN1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347539877 226187324 /nfs/dbraw/zinc/18/73/24/226187324.db2.gz LSAOPOXGGRFKKR-LLVKDONJSA-N 2 1 272.374 -0.056 20 0 CBADMP COC1CC[NH+](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000079999078 544428647 /nfs/dbraw/zinc/42/86/47/544428647.db2.gz FAKWKIAGOKTLEV-ZDUSSCGKSA-N 2 1 285.388 -0.456 20 0 CBADMP COC1CC[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000079999078 544428654 /nfs/dbraw/zinc/42/86/54/544428654.db2.gz FAKWKIAGOKTLEV-ZDUSSCGKSA-N 2 1 285.388 -0.456 20 0 CBADMP CN(C(=O)CN1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000081454119 544428822 /nfs/dbraw/zinc/42/88/22/544428822.db2.gz WZXKIOKDSWACDD-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP CN(C(=O)CN1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000081454119 544428826 /nfs/dbraw/zinc/42/88/26/544428826.db2.gz WZXKIOKDSWACDD-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000091300593 544439645 /nfs/dbraw/zinc/43/96/45/544439645.db2.gz MRGSJSKGTZWWNS-UONOGXRCSA-N 2 1 297.399 -0.312 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000092955652 544440672 /nfs/dbraw/zinc/44/06/72/544440672.db2.gz GTEJOTJXJKMDJJ-STQMWFEESA-N 2 1 268.405 -0.262 20 0 CBADMP CC1(OCC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[NH2+]C1 ZINC000098061558 544447294 /nfs/dbraw/zinc/44/72/94/544447294.db2.gz UUXJDUKMYWLGCI-ZDUSSCGKSA-N 2 1 297.399 -0.312 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)CN3CC[NH2+]CC3)CC[C@H]21 ZINC000227333992 544494519 /nfs/dbraw/zinc/49/45/19/544494519.db2.gz DTYIEBBCLNODOJ-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+]1CCN(C(=O)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000157972332 544473073 /nfs/dbraw/zinc/47/30/73/544473073.db2.gz ZOYDAKCJYGVFOE-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCN(C(=O)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000157972332 544473077 /nfs/dbraw/zinc/47/30/77/544473077.db2.gz ZOYDAKCJYGVFOE-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP Cn1nccc1CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000230774404 544502134 /nfs/dbraw/zinc/50/21/34/544502134.db2.gz XBSPBVIGVBNGCE-UHFFFAOYSA-N 2 1 265.361 -0.674 20 0 CBADMP Cn1nccc1CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000230774404 544502139 /nfs/dbraw/zinc/50/21/39/544502139.db2.gz XBSPBVIGVBNGCE-UHFFFAOYSA-N 2 1 265.361 -0.674 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000178699525 544481709 /nfs/dbraw/zinc/48/17/09/544481709.db2.gz WZYQFPFTEREUGF-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000237113205 544507655 /nfs/dbraw/zinc/50/76/55/544507655.db2.gz NWVYMHZHFGFINN-NEPJUHHUSA-N 2 1 255.362 -0.096 20 0 CBADMP COCC[NH2+]CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322460615 544530475 /nfs/dbraw/zinc/53/04/75/544530475.db2.gz XNLGZYHBZCBQAW-YOGCLGLASA-N 2 1 255.362 -0.036 20 0 CBADMP O=C(CN1CC[NH2+]CC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649593 419410180 /nfs/dbraw/zinc/41/01/80/419410180.db2.gz VNWMVLSLFONSHQ-GFCCVEGCSA-N 2 1 266.389 -0.508 20 0 CBADMP O=C(CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)N1CCOCC1 ZINC000124065415 419490372 /nfs/dbraw/zinc/49/03/72/419490372.db2.gz JKOIOXFCQYTGNU-CYBMUJFWSA-N 2 1 285.388 -0.718 20 0 CBADMP NC(=O)C[N@@H+](CCN1CC[NH2+]CC1)C1CCCC1 ZINC000043499921 419427474 /nfs/dbraw/zinc/42/74/74/419427474.db2.gz UWJWSZCJBIVXIV-UHFFFAOYSA-N 2 1 254.378 -0.379 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCO)C[C@@H]1C ZINC000660761449 419434542 /nfs/dbraw/zinc/43/45/42/419434542.db2.gz YVFVMAFWXJMDIM-UONOGXRCSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@H+](CCO)C[C@@H]1C ZINC000660761449 419434553 /nfs/dbraw/zinc/43/45/53/419434553.db2.gz YVFVMAFWXJMDIM-UONOGXRCSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@@H+](CCO)C[C@@H]1C ZINC000660761449 419434558 /nfs/dbraw/zinc/43/45/58/419434558.db2.gz YVFVMAFWXJMDIM-UONOGXRCSA-N 2 1 273.421 -0.314 20 0 CBADMP CNC(=O)[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660833752 419447029 /nfs/dbraw/zinc/44/70/29/419447029.db2.gz UXSIZQAGCQJZQO-NWDGAFQWSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660833752 419447033 /nfs/dbraw/zinc/44/70/33/419447033.db2.gz UXSIZQAGCQJZQO-NWDGAFQWSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000660833752 419447041 /nfs/dbraw/zinc/44/70/41/419447041.db2.gz UXSIZQAGCQJZQO-NWDGAFQWSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660833752 419447046 /nfs/dbraw/zinc/44/70/46/419447046.db2.gz UXSIZQAGCQJZQO-NWDGAFQWSA-N 2 1 257.378 -0.245 20 0 CBADMP CC[C@@H]1COCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298683 419456958 /nfs/dbraw/zinc/45/69/58/419456958.db2.gz KPIGPKBSEVVXCZ-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP CC(C)[C@@H](C)NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150604 419466857 /nfs/dbraw/zinc/46/68/57/419466857.db2.gz OZPKBBGGQUZODH-CYBMUJFWSA-N 2 1 270.421 -0.016 20 0 CBADMP CC(C)[C@@H](C)NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150604 419466863 /nfs/dbraw/zinc/46/68/63/419466863.db2.gz OZPKBBGGQUZODH-CYBMUJFWSA-N 2 1 270.421 -0.016 20 0 CBADMP CN(C(=O)C[N@H+](C)CCN1CC[NH2+]CC1)C1CC1 ZINC000071150915 419467085 /nfs/dbraw/zinc/46/70/85/419467085.db2.gz AOWUVLLEWKSJCW-UHFFFAOYSA-N 2 1 254.378 -0.556 20 0 CBADMP CN(C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1)C1CC1 ZINC000071150915 419467095 /nfs/dbraw/zinc/46/70/95/419467095.db2.gz AOWUVLLEWKSJCW-UHFFFAOYSA-N 2 1 254.378 -0.556 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NC[C@@H]1CCCO1 ZINC000071150403 419468570 /nfs/dbraw/zinc/46/85/70/419468570.db2.gz YYAZZUUUCDSULM-ZDUSSCGKSA-N 2 1 284.404 -0.881 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NC[C@@H]1CCCO1 ZINC000071150403 419468575 /nfs/dbraw/zinc/46/85/75/419468575.db2.gz YYAZZUUUCDSULM-ZDUSSCGKSA-N 2 1 284.404 -0.881 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143612 419469939 /nfs/dbraw/zinc/46/99/39/419469939.db2.gz UZNUSLSSFHQODT-KGLIPLIRSA-N 2 1 297.403 -0.461 20 0 CBADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186666021 419523941 /nfs/dbraw/zinc/52/39/41/419523941.db2.gz GBQPCOZYTJGAPU-DYEKYZERSA-N 2 1 296.415 -0.217 20 0 CBADMP CN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000661806543 419524970 /nfs/dbraw/zinc/52/49/70/419524970.db2.gz KWGTWCFVEHSNBB-UHFFFAOYSA-N 2 1 282.388 -0.685 20 0 CBADMP CN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000661806543 419524974 /nfs/dbraw/zinc/52/49/74/419524974.db2.gz KWGTWCFVEHSNBB-UHFFFAOYSA-N 2 1 282.388 -0.685 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000386285546 544575075 /nfs/dbraw/zinc/57/50/75/544575075.db2.gz BQCXKDGSJQAPMZ-UTUOFQBUSA-N 2 1 260.378 -0.326 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000386285546 544575083 /nfs/dbraw/zinc/57/50/83/544575083.db2.gz BQCXKDGSJQAPMZ-UTUOFQBUSA-N 2 1 260.378 -0.326 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC([NH+](C)C)CC1 ZINC000388778736 544576673 /nfs/dbraw/zinc/57/66/73/544576673.db2.gz MUFNISUSOSEDGD-CQSZACIVSA-N 2 1 273.421 -0.049 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662147742 419552146 /nfs/dbraw/zinc/55/21/46/419552146.db2.gz FYZCSNZBGHOBRK-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662147742 419552151 /nfs/dbraw/zinc/55/21/51/419552151.db2.gz FYZCSNZBGHOBRK-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394374191 544578801 /nfs/dbraw/zinc/57/88/01/544578801.db2.gz RXUHDJJUNFUHNP-AVGNSLFASA-N 2 1 268.405 -0.134 20 0 CBADMP COC[C@H](C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)OC ZINC000662243567 419558981 /nfs/dbraw/zinc/55/89/81/419558981.db2.gz NCXBGLAKNZIVBG-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP Cc1nnc([C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)[nH]1 ZINC000662243676 419559506 /nfs/dbraw/zinc/55/95/06/419559506.db2.gz OGDHWHXTKMDNAK-ONGXEEELSA-N 2 1 280.376 -0.039 20 0 CBADMP Cc1nnc([C@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)[nH]1 ZINC000662243676 419559511 /nfs/dbraw/zinc/55/95/11/419559511.db2.gz OGDHWHXTKMDNAK-ONGXEEELSA-N 2 1 280.376 -0.039 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252152 419562299 /nfs/dbraw/zinc/56/22/99/419562299.db2.gz KPZGHSLTICUOFZ-QWRGUYRKSA-N 2 1 253.346 -0.282 20 0 CBADMP C[N@@H+](CC(=O)N1CCOCC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252270 419563069 /nfs/dbraw/zinc/56/30/69/419563069.db2.gz NJZFUMBYRACUBW-LBPRGKRZSA-N 2 1 283.372 -0.702 20 0 CBADMP C[N@H+](CC(=O)N1CCOCC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252270 419563072 /nfs/dbraw/zinc/56/30/72/419563072.db2.gz NJZFUMBYRACUBW-LBPRGKRZSA-N 2 1 283.372 -0.702 20 0 CBADMP O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253712 419563089 /nfs/dbraw/zinc/56/30/89/419563089.db2.gz JZTTVTJLKAPNFK-CHWSQXEVSA-N 2 1 294.399 -0.003 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000389757150 544577803 /nfs/dbraw/zinc/57/78/03/544577803.db2.gz RRNGXKRQBURMGT-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000389757152 544577916 /nfs/dbraw/zinc/57/79/16/544577916.db2.gz RRNGXKRQBURMGT-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661595837 419501903 /nfs/dbraw/zinc/50/19/03/419501903.db2.gz FDRZWDWJXZSEMI-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661595837 419501906 /nfs/dbraw/zinc/50/19/06/419501906.db2.gz FDRZWDWJXZSEMI-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661595837 419501910 /nfs/dbraw/zinc/50/19/10/419501910.db2.gz FDRZWDWJXZSEMI-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661595837 419501912 /nfs/dbraw/zinc/50/19/12/419501912.db2.gz FDRZWDWJXZSEMI-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661595835 419504123 /nfs/dbraw/zinc/50/41/23/419504123.db2.gz FDRZWDWJXZSEMI-AGIUHOORSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661595835 419504130 /nfs/dbraw/zinc/50/41/30/419504130.db2.gz FDRZWDWJXZSEMI-AGIUHOORSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661595835 419504136 /nfs/dbraw/zinc/50/41/36/419504136.db2.gz FDRZWDWJXZSEMI-AGIUHOORSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661595835 419504141 /nfs/dbraw/zinc/50/41/41/419504141.db2.gz FDRZWDWJXZSEMI-AGIUHOORSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)c2cn(CC[NH3+])nn2)C[N@H+]1C1CC1 ZINC000662539654 419632509 /nfs/dbraw/zinc/63/25/09/419632509.db2.gz GWAOCUOFAWPTBB-ZJUUUORDSA-N 2 1 278.360 -0.408 20 0 CBADMP [NH3+][C@@H](CC(F)F)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394376555 544579663 /nfs/dbraw/zinc/57/96/63/544579663.db2.gz UBTJTQGDEDNRTC-ZJUUUORDSA-N 2 1 276.331 -0.525 20 0 CBADMP [NH3+][C@H](CC(F)F)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394376364 544579911 /nfs/dbraw/zinc/57/99/11/544579911.db2.gz UBTJTQGDEDNRTC-NXEZZACHSA-N 2 1 276.331 -0.525 20 0 CBADMP c1nncn1CC1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662284012 419570954 /nfs/dbraw/zinc/57/09/54/419570954.db2.gz FBHLBJKWCXOPSQ-CYBMUJFWSA-N 2 1 265.361 -0.022 20 0 CBADMP c1nncn1CC1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662284013 419571674 /nfs/dbraw/zinc/57/16/74/419571674.db2.gz FBHLBJKWCXOPSQ-ZDUSSCGKSA-N 2 1 265.361 -0.022 20 0 CBADMP O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1CN2CCN1CCC2 ZINC000394388153 544580330 /nfs/dbraw/zinc/58/03/30/544580330.db2.gz YBDQHIFFZJNSEB-OLZOCXBDSA-N 2 1 266.389 -0.508 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@H]1CCCC[NH2+]1 ZINC000394383773 544580723 /nfs/dbraw/zinc/58/07/23/544580723.db2.gz FURZUBSGPUZNSJ-QWHCGFSZSA-N 2 1 266.389 -0.365 20 0 CBADMP CN1CCC[C@@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662277527 419574698 /nfs/dbraw/zinc/57/46/98/419574698.db2.gz VODMYMPWKOBIHS-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394381427 544581015 /nfs/dbraw/zinc/58/10/15/544581015.db2.gz RTENYEQVCAVWAB-OLZOCXBDSA-N 2 1 298.456 -0.412 20 0 CBADMP O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1CN2CCN1CCC2 ZINC000394388152 544581115 /nfs/dbraw/zinc/58/11/15/544581115.db2.gz YBDQHIFFZJNSEB-CHWSQXEVSA-N 2 1 266.389 -0.508 20 0 CBADMP COC1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC[NH2+]CC1 ZINC000394406400 544581251 /nfs/dbraw/zinc/58/12/51/544581251.db2.gz LFDZATXDOXJUAE-CYBMUJFWSA-N 2 1 296.415 -0.739 20 0 CBADMP CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662298295 419580394 /nfs/dbraw/zinc/58/03/94/419580394.db2.gz BDCNIMQNUWCLKC-NWDGAFQWSA-N 2 1 253.346 -0.282 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662317747 419583919 /nfs/dbraw/zinc/58/39/19/419583919.db2.gz RPCPONRKGOQLBL-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1CCC[NH2+]1 ZINC000394382531 544581868 /nfs/dbraw/zinc/58/18/68/544581868.db2.gz RYIGJTTXXFRJBD-NEPJUHHUSA-N 2 1 252.362 -0.756 20 0 CBADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCN1S(C)(=O)=O ZINC000662310268 419584578 /nfs/dbraw/zinc/58/45/78/419584578.db2.gz JBTGKMUVADGEMK-NEPJUHHUSA-N 2 1 275.418 -0.048 20 0 CBADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1CCC[NH3+] ZINC000662314105 419584647 /nfs/dbraw/zinc/58/46/47/419584647.db2.gz MPHWTTOYAGEDSJ-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP COC[C@@]1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC[NH2+]C1 ZINC000394396601 544581971 /nfs/dbraw/zinc/58/19/71/544581971.db2.gz BPTBZFSFQHZWFA-UKRRQHHQSA-N 2 1 296.415 -0.881 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662316155 419585552 /nfs/dbraw/zinc/58/55/52/419585552.db2.gz IZMINOYVHXKVKC-AAEUAGOBSA-N 2 1 272.393 -0.356 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662316155 419585560 /nfs/dbraw/zinc/58/55/60/419585560.db2.gz IZMINOYVHXKVKC-AAEUAGOBSA-N 2 1 272.393 -0.356 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662316158 419586569 /nfs/dbraw/zinc/58/65/69/419586569.db2.gz IZMINOYVHXKVKC-WCQYABFASA-N 2 1 272.393 -0.356 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662316158 419586575 /nfs/dbraw/zinc/58/65/75/419586575.db2.gz IZMINOYVHXKVKC-WCQYABFASA-N 2 1 272.393 -0.356 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H]1COCCO1 ZINC000662306694 419586699 /nfs/dbraw/zinc/58/66/99/419586699.db2.gz RXTBTIXKZMXEFI-GFCCVEGCSA-N 2 1 271.361 -0.845 20 0 CBADMP CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000662316217 419586841 /nfs/dbraw/zinc/58/68/41/419586841.db2.gz JHWOSFVDMOIDTM-ZDUSSCGKSA-N 2 1 283.420 -0.421 20 0 CBADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662314323 419586892 /nfs/dbraw/zinc/58/68/92/419586892.db2.gz DVPHOPQOMHBKAK-PWSUYJOCSA-N 2 1 253.346 -0.295 20 0 CBADMP CC[C@H]1C(=O)N(CC)CC[N@H+]1CCN1CC[NH2+]CC1 ZINC000662304858 419587247 /nfs/dbraw/zinc/58/72/47/419587247.db2.gz CNJXPNFXDPTUBS-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000662304858 419587253 /nfs/dbraw/zinc/58/72/53/419587253.db2.gz CNJXPNFXDPTUBS-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP NC(=O)C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336357 419588589 /nfs/dbraw/zinc/58/85/89/419588589.db2.gz CSIBIKDYGULECE-LLVKDONJSA-N 2 1 292.387 -0.516 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336357 419588599 /nfs/dbraw/zinc/58/85/99/419588599.db2.gz CSIBIKDYGULECE-LLVKDONJSA-N 2 1 292.387 -0.516 20 0 CBADMP Cn1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c(=O)n(C)c1=O ZINC000647482914 419593346 /nfs/dbraw/zinc/59/33/46/419593346.db2.gz JHXHAGLVKDLIRM-UHFFFAOYSA-N 2 1 292.383 -0.200 20 0 CBADMP C[N@@H+](C[C@H](O)CNC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000647517309 419599069 /nfs/dbraw/zinc/59/90/69/419599069.db2.gz DHVOFBCQXBHMBW-KGLIPLIRSA-N 2 1 271.405 -0.512 20 0 CBADMP CS(=O)(=O)NC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000647513640 419599231 /nfs/dbraw/zinc/59/92/31/419599231.db2.gz TTYQOQCQCLOJSF-NSHDSACASA-N 2 1 275.418 0.000 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662439975 419607267 /nfs/dbraw/zinc/60/72/67/419607267.db2.gz UMEIJVKUMGCODP-LLVKDONJSA-N 2 1 295.387 -0.205 20 0 CBADMP O=C1CO[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C[C@H]2N1 ZINC000647551846 419608700 /nfs/dbraw/zinc/60/87/00/419608700.db2.gz RDOWMAHKGDPRTJ-VXGBXAGGSA-N 2 1 253.346 -0.425 20 0 CBADMP [NH3+]CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)nn1 ZINC000662450602 419611740 /nfs/dbraw/zinc/61/17/40/419611740.db2.gz AFIJSAABNNFSIQ-NSHDSACASA-N 2 1 278.360 -0.549 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000662462109 419614581 /nfs/dbraw/zinc/61/45/81/419614581.db2.gz GVXPULUFUSIWQT-ZIAGYGMSSA-N 2 1 298.431 -0.493 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CC[C@@H]3OCC[C@@H]3C2)C1=O ZINC000647600757 419624959 /nfs/dbraw/zinc/62/49/59/419624959.db2.gz HULGSMFBPUEFLK-AGIUHOORSA-N 2 1 295.383 -0.214 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394370844 544579366 /nfs/dbraw/zinc/57/93/66/544579366.db2.gz DHYRFSUFMQSAQR-RYUDHWBXSA-N 2 1 254.378 -0.652 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662662099 419672777 /nfs/dbraw/zinc/67/27/77/419672777.db2.gz ZHTRIPDFOQEYJL-IJLUTSLNSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CCC[NH3+] ZINC000647849557 419672999 /nfs/dbraw/zinc/67/29/99/419672999.db2.gz YBWKCRHPKBJDPX-GHMZBOCLSA-N 2 1 270.377 -0.621 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)CCC[NH3+] ZINC000647849557 419673007 /nfs/dbraw/zinc/67/30/07/419673007.db2.gz YBWKCRHPKBJDPX-GHMZBOCLSA-N 2 1 270.377 -0.621 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000647865706 419675903 /nfs/dbraw/zinc/67/59/03/419675903.db2.gz QUYXSDQDSDYOBR-UPJWGTAASA-N 2 1 257.378 -0.245 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000647865706 419675912 /nfs/dbraw/zinc/67/59/12/419675912.db2.gz QUYXSDQDSDYOBR-UPJWGTAASA-N 2 1 257.378 -0.245 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN([C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC000647865573 419676096 /nfs/dbraw/zinc/67/60/96/419676096.db2.gz NSOJCHWGOCSLET-RWMBFGLXSA-N 2 1 257.378 -0.245 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000662680225 419680055 /nfs/dbraw/zinc/68/00/55/419680055.db2.gz XTLKAXHPSVPKEG-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647877059 419681484 /nfs/dbraw/zinc/68/14/84/419681484.db2.gz HBJSIGPCCDMIHY-NEPJUHHUSA-N 2 1 275.418 -0.143 20 0 CBADMP CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647877059 419681493 /nfs/dbraw/zinc/68/14/93/419681493.db2.gz HBJSIGPCCDMIHY-NEPJUHHUSA-N 2 1 275.418 -0.143 20 0 CBADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000662681326 419682279 /nfs/dbraw/zinc/68/22/79/419682279.db2.gz FGRFGWWESDMUGL-GHMZBOCLSA-N 2 1 273.402 -0.485 20 0 CBADMP O=C1C[N@H+](CCN2CC[NH2+]CC2)[C@H]2CCCC[C@H]2N1 ZINC000647882991 419682948 /nfs/dbraw/zinc/68/29/48/419682948.db2.gz YHZJQBJKMOTSFU-OLZOCXBDSA-N 2 1 266.389 -0.365 20 0 CBADMP O=C1C[N@@H+](CCN2CC[NH2+]CC2)[C@H]2CCCC[C@H]2N1 ZINC000647882991 419682952 /nfs/dbraw/zinc/68/29/52/419682952.db2.gz YHZJQBJKMOTSFU-OLZOCXBDSA-N 2 1 266.389 -0.365 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC000647878395 419684645 /nfs/dbraw/zinc/68/46/45/419684645.db2.gz BRCSQBPYAAWBHZ-IRCOFANPSA-N 2 1 255.362 -0.099 20 0 CBADMP C(C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000647891566 419685977 /nfs/dbraw/zinc/68/59/77/419685977.db2.gz RPXBWLKWNVKFCS-ZIAGYGMSSA-N 2 1 269.389 -0.229 20 0 CBADMP C(C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000647891566 419685985 /nfs/dbraw/zinc/68/59/85/419685985.db2.gz RPXBWLKWNVKFCS-ZIAGYGMSSA-N 2 1 269.389 -0.229 20 0 CBADMP O=C1CNCCN1[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647909268 419686819 /nfs/dbraw/zinc/68/68/19/419686819.db2.gz MSEAHOREGKXGQQ-CHWSQXEVSA-N 3 1 266.389 -0.508 20 0 CBADMP O=C1CNCCN1[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647909268 419686823 /nfs/dbraw/zinc/68/68/23/419686823.db2.gz MSEAHOREGKXGQQ-CHWSQXEVSA-N 3 1 266.389 -0.508 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662688334 419686939 /nfs/dbraw/zinc/68/69/39/419686939.db2.gz OJQFDDNCFWERJW-JTQLQIEISA-N 2 1 291.359 -0.192 20 0 CBADMP O=C1CNCCN1[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647909269 419688176 /nfs/dbraw/zinc/68/81/76/419688176.db2.gz MSEAHOREGKXGQQ-OLZOCXBDSA-N 3 1 266.389 -0.508 20 0 CBADMP O=C1CNCCN1[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647909269 419688179 /nfs/dbraw/zinc/68/81/79/419688179.db2.gz MSEAHOREGKXGQQ-OLZOCXBDSA-N 3 1 266.389 -0.508 20 0 CBADMP CC[C@@H]1C[N@@H+](CCCS(=O)(=O)NC)CC[C@H]1[NH3+] ZINC000647936308 419690260 /nfs/dbraw/zinc/69/02/60/419690260.db2.gz BEWRMBSUOLEIOA-GHMZBOCLSA-N 2 1 263.407 -0.015 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCC[NH3+])CC1 ZINC000414699239 544590685 /nfs/dbraw/zinc/59/06/85/544590685.db2.gz DQMCLEUCEWUAHQ-LBPRGKRZSA-N 2 1 254.378 -0.426 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CC1([NH3+])CC1 ZINC000662710397 419693372 /nfs/dbraw/zinc/69/33/72/419693372.db2.gz IHBIHLHAOBBHBY-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647941200 419693982 /nfs/dbraw/zinc/69/39/82/419693982.db2.gz DOYXXYDKLATVII-QWHCGFSZSA-N 3 1 268.405 -0.085 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@H]1CC[NH2+]C1 ZINC000647941200 419693992 /nfs/dbraw/zinc/69/39/92/419693992.db2.gz DOYXXYDKLATVII-QWHCGFSZSA-N 2 1 268.405 -0.085 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CC1([NH3+])CC1 ZINC000662710396 419694808 /nfs/dbraw/zinc/69/48/08/419694808.db2.gz IHBIHLHAOBBHBY-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+](C)C ZINC000338970809 419696816 /nfs/dbraw/zinc/69/68/16/419696816.db2.gz YOGNIQOAVAEKLO-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662712125 419699605 /nfs/dbraw/zinc/69/96/05/419699605.db2.gz RHFLVSKMGCRNRA-SRVKXCTJSA-N 2 1 255.362 -0.049 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H](n2cncn2)C1)N1CC[NH2+]CC1 ZINC000647989608 419702061 /nfs/dbraw/zinc/70/20/61/419702061.db2.gz LTNUAYGATKNKCK-GFCCVEGCSA-N 2 1 278.360 -0.653 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000662719494 419702022 /nfs/dbraw/zinc/70/20/22/419702022.db2.gz DFYIUVHJIPFPES-AVGNSLFASA-N 2 1 267.373 -0.049 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])n1C ZINC000662730134 419705948 /nfs/dbraw/zinc/70/59/48/419705948.db2.gz SDGPTACFDHABEB-WDEREUQCSA-N 2 1 281.360 -0.534 20 0 CBADMP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662743710 419707132 /nfs/dbraw/zinc/70/71/32/419707132.db2.gz LCUKEGBJSOIEFU-KBPBESRZSA-N 2 1 299.415 -0.081 20 0 CBADMP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662743711 419707620 /nfs/dbraw/zinc/70/76/20/419707620.db2.gz LCUKEGBJSOIEFU-KGLIPLIRSA-N 2 1 299.415 -0.081 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662554759 419641322 /nfs/dbraw/zinc/64/13/22/419641322.db2.gz RFYKEOYFGXMPNP-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000647770010 419651625 /nfs/dbraw/zinc/65/16/25/419651625.db2.gz TZDUWYARMOJNDU-JTQLQIEISA-N 2 1 258.391 -0.988 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814913 419660579 /nfs/dbraw/zinc/66/05/79/419660579.db2.gz KLHVGLOABZNIFK-UHFFFAOYSA-N 2 1 266.345 -0.245 20 0 CBADMP O=C1CNC(=O)N1CC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814913 419660588 /nfs/dbraw/zinc/66/05/88/419660588.db2.gz KLHVGLOABZNIFK-UHFFFAOYSA-N 2 1 266.345 -0.245 20 0 CBADMP O=C(N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1(O)C[NH2+]C1 ZINC000662805868 419730212 /nfs/dbraw/zinc/73/02/12/419730212.db2.gz ODAMKICLVFZRKY-YPMHNXCESA-N 2 1 279.384 -0.204 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C3(O)C[NH2+]C3)CC[C@H]21 ZINC000662802700 419731150 /nfs/dbraw/zinc/73/11/50/419731150.db2.gz BXHIFYXCINJJRD-GHMZBOCLSA-N 2 1 253.346 -0.737 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000341273570 419732750 /nfs/dbraw/zinc/73/27/50/419732750.db2.gz WYQDEHUXQONZJO-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](C)CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000341273570 419732756 /nfs/dbraw/zinc/73/27/56/419732756.db2.gz WYQDEHUXQONZJO-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](C)CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000341273570 419732786 /nfs/dbraw/zinc/73/27/86/419732786.db2.gz WYQDEHUXQONZJO-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662941879 419786263 /nfs/dbraw/zinc/78/62/63/419786263.db2.gz RNOGZZSTDIZOHF-GFCCVEGCSA-N 2 1 284.404 -0.406 20 0 CBADMP C[C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000662944931 419786430 /nfs/dbraw/zinc/78/64/30/419786430.db2.gz BSKBOCVEGPQMRS-QJPTWQEYSA-N 2 1 272.368 -0.480 20 0 CBADMP C[N@H+]1CC[C@](N)(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000648124346 419742849 /nfs/dbraw/zinc/74/28/49/419742849.db2.gz XWPRABGMAWEYST-NTZNESFSSA-N 2 1 252.362 -0.770 20 0 CBADMP CN1CC[C@]([NH3+])(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000648124346 419742853 /nfs/dbraw/zinc/74/28/53/419742853.db2.gz XWPRABGMAWEYST-NTZNESFSSA-N 2 1 252.362 -0.770 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)COC1(C)C[NH2+]C1 ZINC000648153524 419760041 /nfs/dbraw/zinc/76/00/41/419760041.db2.gz ZNMRXCFONHBAOH-UHFFFAOYSA-N 2 1 298.431 -0.539 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000430726386 544593381 /nfs/dbraw/zinc/59/33/81/544593381.db2.gz VRQFCHKJHDMKEL-TUAOUCFPSA-N 2 1 255.362 -0.049 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)COC3(C)C[NH2+]C3)[C@@H]2C1 ZINC000648168924 419762191 /nfs/dbraw/zinc/76/21/91/419762191.db2.gz HOVKURKJIYRRJO-NWDGAFQWSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000648157842 419763274 /nfs/dbraw/zinc/76/32/74/419763274.db2.gz JKYOEAKKCKRVSX-UPJWGTAASA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC[NH2+]1 ZINC000662905787 419765544 /nfs/dbraw/zinc/76/55/44/419765544.db2.gz FSGUDOGHWAKQQK-MELADBBJSA-N 2 1 280.416 -0.119 20 0 CBADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662908348 419766118 /nfs/dbraw/zinc/76/61/18/419766118.db2.gz SXXHWNWMVVRSIB-QWHCGFSZSA-N 2 1 268.405 -0.119 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662907347 419768440 /nfs/dbraw/zinc/76/84/40/419768440.db2.gz SYBZQBLHXRTEAQ-VNHYZAJKSA-N 2 1 278.400 -0.508 20 0 CBADMP [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000662908389 419768936 /nfs/dbraw/zinc/76/89/36/419768936.db2.gz UEXAMQDSUOOARM-TUAOUCFPSA-N 2 1 252.362 -0.770 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662913645 419770733 /nfs/dbraw/zinc/77/07/33/419770733.db2.gz RXGHKTAJYRMPJG-SDDRHHMPSA-N 2 1 255.362 -0.049 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662913647 419773157 /nfs/dbraw/zinc/77/31/57/419773157.db2.gz RXGHKTAJYRMPJG-TUAOUCFPSA-N 2 1 255.362 -0.049 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662923820 419778310 /nfs/dbraw/zinc/77/83/10/419778310.db2.gz SJTIRZQOUAGWQV-UHFFFAOYSA-N 2 1 284.404 -0.406 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000662930562 419782772 /nfs/dbraw/zinc/78/27/72/419782772.db2.gz SLDWSJUBCDWQJA-GFCCVEGCSA-N 2 1 282.388 -0.511 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000662937743 419783919 /nfs/dbraw/zinc/78/39/19/419783919.db2.gz KJXXYUKGOXGKEC-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662786027 419722676 /nfs/dbraw/zinc/72/26/76/419722676.db2.gz YQUMALXVKSCZLL-FOGDFJRCSA-N 2 1 259.325 -0.490 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000663011339 419809093 /nfs/dbraw/zinc/80/90/93/419809093.db2.gz PQZFUDDWKJMPJL-AWEZNQCLSA-N 2 1 268.405 -0.118 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000663011340 419810541 /nfs/dbraw/zinc/81/05/41/419810541.db2.gz PQZFUDDWKJMPJL-CQSZACIVSA-N 2 1 268.405 -0.118 20 0 CBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000649069671 419833414 /nfs/dbraw/zinc/83/34/14/419833414.db2.gz XNBUCAWOIIMEQN-JHJVBQTASA-N 2 1 296.415 -0.095 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)[C@@H](C[NH3+])OC)C[C@@H]1CC ZINC000353428358 419838835 /nfs/dbraw/zinc/83/88/35/419838835.db2.gz NBSOVOLLNXQLRJ-QWHCGFSZSA-N 2 1 287.404 -0.081 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)[C@H](C[NH3+])OC)C[C@@H]1CC ZINC000353428359 419839631 /nfs/dbraw/zinc/83/96/31/419839631.db2.gz NBSOVOLLNXQLRJ-STQMWFEESA-N 2 1 287.404 -0.081 20 0 CBADMP O=C([C@@H]1CCC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1)N1CC[NH2+]CC1 ZINC000663496860 419843722 /nfs/dbraw/zinc/84/37/22/419843722.db2.gz ZZPOITZGIACLBO-FMKPAKJESA-N 3 1 292.427 -0.260 20 0 CBADMP O=C([C@@H]1CCC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1)N1CCNCC1 ZINC000663496860 419843728 /nfs/dbraw/zinc/84/37/28/419843728.db2.gz ZZPOITZGIACLBO-FMKPAKJESA-N 2 1 292.427 -0.260 20 0 CBADMP O=C([C@@H]1CCC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1)N1CCNCC1 ZINC000663496860 419843734 /nfs/dbraw/zinc/84/37/34/419843734.db2.gz ZZPOITZGIACLBO-FMKPAKJESA-N 2 1 292.427 -0.260 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1O ZINC000663681279 419855182 /nfs/dbraw/zinc/85/51/82/419855182.db2.gz JRIKHPRROZJRSY-CRWXNKLISA-N 2 1 296.415 -0.071 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H]1O ZINC000663718183 419857545 /nfs/dbraw/zinc/85/75/45/419857545.db2.gz ZMHXQTQYWBKDEK-CRWXNKLISA-N 2 1 296.415 -0.071 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC000649298176 419868149 /nfs/dbraw/zinc/86/81/49/419868149.db2.gz XKEFJWFXWQOGDY-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649313237 419879050 /nfs/dbraw/zinc/87/90/50/419879050.db2.gz QODAQBBWXNGFSC-WUHRBBMRSA-N 2 1 294.399 -0.845 20 0 CBADMP O=C([C@H]1CC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649321150 419881059 /nfs/dbraw/zinc/88/10/59/419881059.db2.gz MZNQJRMKXAGALN-UTUOFQBUSA-N 2 1 253.346 -0.594 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3C[C@H](O)C3)C2)CC1 ZINC000664128822 419881181 /nfs/dbraw/zinc/88/11/81/419881181.db2.gz BFSCKFJKJQIRPF-YRGRVCCFSA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@H]3C[C@H](O)C3)C2)CC1 ZINC000664128822 419881191 /nfs/dbraw/zinc/88/11/91/419881191.db2.gz BFSCKFJKJQIRPF-YRGRVCCFSA-N 2 1 296.415 -0.023 20 0 CBADMP CC1(OCC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[NH2+]C1 ZINC000649322897 419882072 /nfs/dbraw/zinc/88/20/72/419882072.db2.gz UYMVWDDHPMPNNL-LBPRGKRZSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649321212 419882649 /nfs/dbraw/zinc/88/26/49/419882649.db2.gz OSIUHMYBAYSDTO-PEBLQZBPSA-N 2 1 279.384 -0.206 20 0 CBADMP O=C(C[NH2+]C1CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649320885 419884501 /nfs/dbraw/zinc/88/45/01/419884501.db2.gz DEZLHHGCCLBILA-STQMWFEESA-N 2 1 267.373 -0.204 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000664219553 419889091 /nfs/dbraw/zinc/88/90/91/419889091.db2.gz RPXWAOMUQYKLFE-NDBYEHHHSA-N 2 1 284.404 -0.215 20 0 CBADMP CC(C)OCC[NH+]1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649339430 419894025 /nfs/dbraw/zinc/89/40/25/419894025.db2.gz YJNJWEIIJOKKJZ-UHFFFAOYSA-N 2 1 299.415 -0.066 20 0 CBADMP CC(=O)N1CC[C@@]([NH3+])(C(=O)NCC[N@H+]2CC[C@@H](C)C2)C1 ZINC000649341936 419894225 /nfs/dbraw/zinc/89/42/25/419894225.db2.gz AYTFFVBIDSNNNT-RISCZKNCSA-N 2 1 282.388 -0.606 20 0 CBADMP CC(=O)N1CC[C@@]([NH3+])(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000649341936 419894231 /nfs/dbraw/zinc/89/42/31/419894231.db2.gz AYTFFVBIDSNNNT-RISCZKNCSA-N 2 1 282.388 -0.606 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC2(C)C[NH2+]C2)C1 ZINC000649280965 419862168 /nfs/dbraw/zinc/86/21/68/419862168.db2.gz YSNCYNPBKVWOMO-CYBMUJFWSA-N 2 1 299.415 -0.162 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000666920290 544649364 /nfs/dbraw/zinc/64/93/64/544649364.db2.gz REJUJLOUUVLRID-HZSPNIEDSA-N 2 1 296.415 -0.069 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000666920290 544649368 /nfs/dbraw/zinc/64/93/68/544649368.db2.gz REJUJLOUUVLRID-HZSPNIEDSA-N 2 1 296.415 -0.069 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000666920290 544649372 /nfs/dbraw/zinc/64/93/72/544649372.db2.gz REJUJLOUUVLRID-HZSPNIEDSA-N 2 1 296.415 -0.069 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517138 419900211 /nfs/dbraw/zinc/90/02/11/419900211.db2.gz PBBYFQNUDAKTRR-UHFFFAOYSA-N 2 1 266.345 -0.386 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H](C)C[NH+](C)C ZINC000358517042 419900820 /nfs/dbraw/zinc/90/08/20/419900820.db2.gz CCIUYQSIMXPMCT-LLVKDONJSA-N 2 1 260.382 -0.450 20 0 CBADMP C[N@@H+](Cc1cnc2n1CCC2)C[C@H](O)CN1CCOCC1 ZINC000667659613 544668378 /nfs/dbraw/zinc/66/83/78/544668378.db2.gz MWHBLRSPMXUUTO-AWEZNQCLSA-N 2 1 294.399 -0.046 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000358545695 419902579 /nfs/dbraw/zinc/90/25/79/419902579.db2.gz ZPFBGMNFEFXSKD-CYBMUJFWSA-N 2 1 284.404 -0.800 20 0 CBADMP CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000664384012 419902864 /nfs/dbraw/zinc/90/28/64/419902864.db2.gz AEQAPUBFFYPWHC-VOAKCMCISA-N 2 1 284.404 -0.357 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649351271 419904835 /nfs/dbraw/zinc/90/48/35/419904835.db2.gz FTIUJDNERKUMSR-BYNSBNAKSA-N 2 1 294.443 -0.158 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649350653 419905019 /nfs/dbraw/zinc/90/50/19/419905019.db2.gz WMXVNYAAUVHWBD-MCIONIFRSA-N 2 1 280.416 -0.119 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358679871 419911410 /nfs/dbraw/zinc/91/14/10/419911410.db2.gz AZDZMGHPRMVKBR-AAEUAGOBSA-N 2 1 272.393 -0.308 20 0 CBADMP C[C@@H]1C[C@@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC[NH2+]1 ZINC000358698579 419913088 /nfs/dbraw/zinc/91/30/88/419913088.db2.gz UZDNNXLEWIPMNJ-AGIUHOORSA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)[C@@H](CNC(=O)NC[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000669021330 544734137 /nfs/dbraw/zinc/73/41/37/544734137.db2.gz QNTFEJYWNUKLAB-VXGBXAGGSA-N 2 1 272.393 -0.010 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](C)[NH3+])C1 ZINC000668727730 544719474 /nfs/dbraw/zinc/71/94/74/544719474.db2.gz PYTWJQBEIQBIGA-VXGBXAGGSA-N 2 1 272.393 -0.010 20 0 CBADMP CCC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[N@H+]1CCOC ZINC000649379157 419907161 /nfs/dbraw/zinc/90/71/61/419907161.db2.gz OCMXOENZMMNAAD-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CN1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@H](C[NH3+])C1 ZINC000669403091 544749111 /nfs/dbraw/zinc/74/91/11/544749111.db2.gz ISZQIRQDZQPWEF-VXGBXAGGSA-N 2 1 269.393 -0.635 20 0 CBADMP O=C(NCCN1CC[NH2+]CC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491298 544750637 /nfs/dbraw/zinc/75/06/37/544750637.db2.gz UBMOLMXIDFQNDA-AWEZNQCLSA-N 2 1 295.431 -0.325 20 0 CBADMP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCOC2)CC1=O ZINC000649685907 419924474 /nfs/dbraw/zinc/92/44/74/419924474.db2.gz QVBOVWJXSISZMQ-GFCCVEGCSA-N 2 1 255.362 -0.271 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCOC2)CC1=O ZINC000649685907 419924476 /nfs/dbraw/zinc/92/44/76/419924476.db2.gz QVBOVWJXSISZMQ-GFCCVEGCSA-N 2 1 255.362 -0.271 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491277 544750830 /nfs/dbraw/zinc/75/08/30/544750830.db2.gz SGTYAHPBYGOLSM-WUHRBBMRSA-N 2 1 264.373 -0.012 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000669491258 544751818 /nfs/dbraw/zinc/75/18/18/544751818.db2.gz RXIUNHQLHXGDPN-CYBMUJFWSA-N 2 1 294.399 -0.146 20 0 CBADMP C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538155 544752059 /nfs/dbraw/zinc/75/20/59/544752059.db2.gz AGTVVJLSAJCZJR-WOPDTQHZSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538155 544752063 /nfs/dbraw/zinc/75/20/63/544752063.db2.gz AGTVVJLSAJCZJR-WOPDTQHZSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@H]1C[N@H+](C)CCO1 ZINC000669538151 544752908 /nfs/dbraw/zinc/75/29/08/544752908.db2.gz AGTVVJLSAJCZJR-SDDRHHMPSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538151 544752911 /nfs/dbraw/zinc/75/29/11/544752911.db2.gz AGTVVJLSAJCZJR-SDDRHHMPSA-N 2 1 270.377 -0.243 20 0 CBADMP CO[C@@H]1CN(CC(C)C[N@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664777610 419916923 /nfs/dbraw/zinc/91/69/23/419916923.db2.gz GEFBRURKGPEWBI-AAVRWANBSA-N 2 1 288.388 -0.995 20 0 CBADMP CO[C@@H]1C[NH+](CC(C)C[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664777610 419916931 /nfs/dbraw/zinc/91/69/31/419916931.db2.gz GEFBRURKGPEWBI-AAVRWANBSA-N 2 1 288.388 -0.995 20 0 CBADMP CO[C@@H]1C[NH+](CC(C)C[N@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664777610 419916936 /nfs/dbraw/zinc/91/69/36/419916936.db2.gz GEFBRURKGPEWBI-AAVRWANBSA-N 2 1 288.388 -0.995 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CCC(=O)N1 ZINC000649570297 419919794 /nfs/dbraw/zinc/91/97/94/419919794.db2.gz VQKRBUNAHXCSDU-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)NCC[NH2+]C2CC2)CC1 ZINC000669272798 544743627 /nfs/dbraw/zinc/74/36/27/544743627.db2.gz WJKKJWRLOJGBGP-UHFFFAOYSA-N 2 1 297.403 -0.798 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000672100912 544838670 /nfs/dbraw/zinc/83/86/70/544838670.db2.gz RLCKVBHZWBLJTJ-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000672100912 544838676 /nfs/dbraw/zinc/83/86/76/544838676.db2.gz RLCKVBHZWBLJTJ-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000672100912 544838680 /nfs/dbraw/zinc/83/86/80/544838680.db2.gz RLCKVBHZWBLJTJ-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292095 419937626 /nfs/dbraw/zinc/93/76/26/419937626.db2.gz SGSIAIJWVHLORH-SCZZXKLOSA-N 2 1 251.334 -0.319 20 0 CBADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[N@@H+](C)CC1 ZINC000359012880 419938816 /nfs/dbraw/zinc/93/88/16/419938816.db2.gz PEQHBEWJLBTSFK-AWEZNQCLSA-N 2 1 297.447 -0.031 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])C1 ZINC000359249576 419951309 /nfs/dbraw/zinc/95/13/09/419951309.db2.gz VHYNORYNYMIBPW-AGIUHOORSA-N 2 1 285.388 -0.328 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])C1 ZINC000359249576 419951312 /nfs/dbraw/zinc/95/13/12/419951312.db2.gz VHYNORYNYMIBPW-AGIUHOORSA-N 2 1 285.388 -0.328 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])C1 ZINC000359249580 419952343 /nfs/dbraw/zinc/95/23/43/419952343.db2.gz VHYNORYNYMIBPW-AVGNSLFASA-N 2 1 285.388 -0.328 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])C1 ZINC000359249580 419952348 /nfs/dbraw/zinc/95/23/48/419952348.db2.gz VHYNORYNYMIBPW-AVGNSLFASA-N 2 1 285.388 -0.328 20 0 CBADMP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359285863 419955631 /nfs/dbraw/zinc/95/56/31/419955631.db2.gz WTISFTKZTGQDLW-QWRGUYRKSA-N 2 1 261.391 -0.581 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359307698 419956746 /nfs/dbraw/zinc/95/67/46/419956746.db2.gz NYLNLXSQCBIMLC-MELADBBJSA-N 3 1 280.416 -0.310 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000359284239 419957367 /nfs/dbraw/zinc/95/73/67/419957367.db2.gz ZLYKDCDAKCBYSR-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000359428802 419963162 /nfs/dbraw/zinc/96/31/62/419963162.db2.gz HVIISBGSSRVHED-ZIAGYGMSSA-N 2 1 280.416 -0.308 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359428800 419964010 /nfs/dbraw/zinc/96/40/10/419964010.db2.gz HVIISBGSSRVHED-OKILXGFUSA-N 2 1 280.416 -0.308 20 0 CBADMP C[C@H](C(=O)N(C)CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000359582415 419973722 /nfs/dbraw/zinc/97/37/22/419973722.db2.gz DSRMLEFSAPRYBL-GFCCVEGCSA-N 2 1 256.394 -0.358 20 0 CBADMP C[C@@H]1C[NH+](CC2(C[N@@H+]3C[C@H](C)[C@H](O)C3)COC2)C[C@H]1O ZINC000360210320 420010833 /nfs/dbraw/zinc/01/08/33/420010833.db2.gz WSHGYONKMBWIMO-XJFOESAGSA-N 2 1 284.400 -0.372 20 0 CBADMP C[C@@H]1C[N@@H+](CC2(C[NH+]3C[C@H](C)[C@H](O)C3)COC2)C[C@H]1O ZINC000360210320 420010838 /nfs/dbraw/zinc/01/08/38/420010838.db2.gz WSHGYONKMBWIMO-XJFOESAGSA-N 2 1 284.400 -0.372 20 0 CBADMP C[C@@H]1C[N@H+](CC2(C[NH+]3C[C@H](C)[C@H](O)C3)COC2)C[C@H]1O ZINC000360210320 420010840 /nfs/dbraw/zinc/01/08/40/420010840.db2.gz WSHGYONKMBWIMO-XJFOESAGSA-N 2 1 284.400 -0.372 20 0 CBADMP C[NH+](C)[C@]1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCSC1 ZINC000360334167 420016469 /nfs/dbraw/zinc/01/64/69/420016469.db2.gz CDDGWFBSOGCBLN-AAEUAGOBSA-N 2 1 287.429 -0.130 20 0 CBADMP C[NH+](C)[C@]1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCSC1 ZINC000360334167 420016470 /nfs/dbraw/zinc/01/64/70/420016470.db2.gz CDDGWFBSOGCBLN-AAEUAGOBSA-N 2 1 287.429 -0.130 20 0 CBADMP C[N@@H+](CCNC(=O)c1[nH]nc2c1C[NH2+]CC2)C1CC1 ZINC000364220478 420031043 /nfs/dbraw/zinc/03/10/43/420031043.db2.gz MEIAAJMKBCHZKN-UHFFFAOYSA-N 2 1 263.345 -0.121 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000364997508 420050308 /nfs/dbraw/zinc/05/03/08/420050308.db2.gz XRQXTOJSFOUVLV-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)[C@@H]1COCC[NH2+]1)C2 ZINC000365094872 420053712 /nfs/dbraw/zinc/05/37/12/420053712.db2.gz PIEVYJFJOZRULO-LOWVWBTDSA-N 2 1 253.346 -0.295 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000652337324 420057514 /nfs/dbraw/zinc/05/75/14/420057514.db2.gz CTAVHWCWQYIXAR-AAEUAGOBSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000652337324 420057515 /nfs/dbraw/zinc/05/75/15/420057515.db2.gz CTAVHWCWQYIXAR-AAEUAGOBSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](N(C)Cc2noc(C)n2)C1 ZINC000652339334 420057587 /nfs/dbraw/zinc/05/75/87/420057587.db2.gz OAAQUWSVSOYTGD-GXTWGEPZSA-N 2 1 297.403 -0.145 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](N(C)Cc2noc(C)n2)C1 ZINC000652339334 420057591 /nfs/dbraw/zinc/05/75/91/420057591.db2.gz OAAQUWSVSOYTGD-GXTWGEPZSA-N 2 1 297.403 -0.145 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652319266 420057735 /nfs/dbraw/zinc/05/77/35/420057735.db2.gz SEUNWEXKQSUWMU-UHFFFAOYSA-N 2 1 286.420 -0.011 20 0 CBADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000652352317 420058337 /nfs/dbraw/zinc/05/83/37/420058337.db2.gz BYXMLPZBSQEZTE-ZFWWWQNUSA-N 3 1 280.416 -0.131 20 0 CBADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCC(=O)N1CCNCC1)C2 ZINC000652352317 420058339 /nfs/dbraw/zinc/05/83/39/420058339.db2.gz BYXMLPZBSQEZTE-ZFWWWQNUSA-N 2 1 280.416 -0.131 20 0 CBADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCC(=O)N1CCNCC1)C2 ZINC000652352317 420058342 /nfs/dbraw/zinc/05/83/42/420058342.db2.gz BYXMLPZBSQEZTE-ZFWWWQNUSA-N 2 1 280.416 -0.131 20 0 CBADMP CCO[C@@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652356015 420059260 /nfs/dbraw/zinc/05/92/60/420059260.db2.gz QCNKPAKQQGWOTQ-ZIAGYGMSSA-N 2 1 298.431 -0.554 20 0 CBADMP CCO[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652356015 420059263 /nfs/dbraw/zinc/05/92/63/420059263.db2.gz QCNKPAKQQGWOTQ-ZIAGYGMSSA-N 3 1 298.431 -0.554 20 0 CBADMP CCO[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652356015 420059267 /nfs/dbraw/zinc/05/92/67/420059267.db2.gz QCNKPAKQQGWOTQ-ZIAGYGMSSA-N 3 1 298.431 -0.554 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000365314876 420059293 /nfs/dbraw/zinc/05/92/93/420059293.db2.gz FGZUWXUUKMYBHF-RWMBFGLXSA-N 2 1 269.389 -0.197 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000365602585 420064200 /nfs/dbraw/zinc/06/42/00/420064200.db2.gz OJFKTDSCWHXOKS-MJBXVCDLSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000365602585 420064204 /nfs/dbraw/zinc/06/42/04/420064204.db2.gz OJFKTDSCWHXOKS-MJBXVCDLSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000365602585 420064208 /nfs/dbraw/zinc/06/42/08/420064208.db2.gz OJFKTDSCWHXOKS-MJBXVCDLSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000365602585 420064210 /nfs/dbraw/zinc/06/42/10/420064210.db2.gz OJFKTDSCWHXOKS-MJBXVCDLSA-N 2 1 297.399 -0.314 20 0 CBADMP COC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367607814 420111131 /nfs/dbraw/zinc/11/11/31/420111131.db2.gz PJNZFXIQDOLKMW-SRVKXCTJSA-N 2 1 271.361 -0.670 20 0 CBADMP COC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367607814 420111133 /nfs/dbraw/zinc/11/11/33/420111133.db2.gz PJNZFXIQDOLKMW-SRVKXCTJSA-N 2 1 271.361 -0.670 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653110387 420116564 /nfs/dbraw/zinc/11/65/64/420116564.db2.gz GQMJODHPDIPOPW-MDZLAQPJSA-N 2 1 253.346 -0.710 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653112587 420116654 /nfs/dbraw/zinc/11/66/54/420116654.db2.gz CLKDGBLJAFYSMI-WDMOLILDSA-N 2 1 265.357 -0.425 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@H+]1C ZINC000653119802 420120732 /nfs/dbraw/zinc/12/07/32/420120732.db2.gz WWNLOMZPAOWVRQ-CZXHOFHRSA-N 2 1 267.373 -0.179 20 0 CBADMP C[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000653116708 420120759 /nfs/dbraw/zinc/12/07/59/420120759.db2.gz PLPJSUFOPJTFJB-PWSUYJOCSA-N 2 1 256.394 -0.136 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653154671 420124826 /nfs/dbraw/zinc/12/48/26/420124826.db2.gz YCVOFQOKELQDHD-JSGCOSHPSA-N 2 1 283.372 -0.939 20 0 CBADMP COCC[NH2+]C1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000653180269 420126772 /nfs/dbraw/zinc/12/67/72/420126772.db2.gz YZJSSMUUFVZXOB-NSHDSACASA-N 2 1 273.402 -0.124 20 0 CBADMP C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000368324124 420128831 /nfs/dbraw/zinc/12/88/31/420128831.db2.gz MZJZGIBJLJAGLG-GFCCVEGCSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000368372930 420131379 /nfs/dbraw/zinc/13/13/79/420131379.db2.gz DBMDQOOSNPSRND-RYUDHWBXSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000368372930 420131382 /nfs/dbraw/zinc/13/13/82/420131382.db2.gz DBMDQOOSNPSRND-RYUDHWBXSA-N 2 1 267.373 -0.035 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H]2CO)C1=O ZINC000653285634 420137797 /nfs/dbraw/zinc/13/77/97/420137797.db2.gz UKXLBMGKOCBUSV-GHMZBOCLSA-N 2 1 269.345 -0.868 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@@H](NC[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000653285114 420138166 /nfs/dbraw/zinc/13/81/66/420138166.db2.gz DFNKTIYDEQQAKA-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000652696927 420074259 /nfs/dbraw/zinc/07/42/59/420074259.db2.gz UJHLKRVFASYGQA-UHFFFAOYSA-N 2 1 272.393 -0.584 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000652705589 420076281 /nfs/dbraw/zinc/07/62/81/420076281.db2.gz KTZINKBIXZBYGF-ZDUSSCGKSA-N 2 1 298.431 -0.112 20 0 CBADMP COCC[C@@]1(C(=O)NCCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000370768127 420184769 /nfs/dbraw/zinc/18/47/69/420184769.db2.gz YIQWUUGGGTWDEG-HNNXBMFYSA-N 2 1 299.415 -0.159 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1[C@H]2COC[C@H]21 ZINC000370739955 420185771 /nfs/dbraw/zinc/18/57/71/420185771.db2.gz QIALRWAOAWCDEJ-XYYAHUGASA-N 2 1 282.388 -0.285 20 0 CBADMP C[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000370772007 420186818 /nfs/dbraw/zinc/18/68/18/420186818.db2.gz JCPRZSZGSWHTDS-GXTWGEPZSA-N 2 1 286.395 -0.312 20 0 CBADMP C[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000672961781 544864622 /nfs/dbraw/zinc/86/46/22/544864622.db2.gz NWKUEIQEERBWIF-QJPTWQEYSA-N 2 1 272.393 -0.045 20 0 CBADMP C[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000672961781 544864624 /nfs/dbraw/zinc/86/46/24/544864624.db2.gz NWKUEIQEERBWIF-QJPTWQEYSA-N 2 1 272.393 -0.045 20 0 CBADMP CC[C@@H]([NH3+])c1cn(C[C@H](O)C[N@@H+](C)CCOC)nn1 ZINC000388776457 420204061 /nfs/dbraw/zinc/20/40/61/420204061.db2.gz MPJAQGATCMHSNM-GHMZBOCLSA-N 2 1 271.365 -0.373 20 0 CBADMP C[NH2+][C@@H](C)c1cn(C[C@@H](O)C[N@@H+](C)CCOC)nn1 ZINC000388647226 420204113 /nfs/dbraw/zinc/20/41/13/420204113.db2.gz YUTCKWZHKNZVFU-QWRGUYRKSA-N 2 1 271.365 -0.502 20 0 CBADMP C[C@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+]1CC(C)C1 ZINC000655000316 420208942 /nfs/dbraw/zinc/20/89/42/420208942.db2.gz DGVGCVJQQGCTTP-DGCLKSJQSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+]1CC(C)C1 ZINC000655000316 420208947 /nfs/dbraw/zinc/20/89/47/420208947.db2.gz DGVGCVJQQGCTTP-DGCLKSJQSA-N 2 1 255.362 -0.491 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC1(C)C ZINC000655051746 420213676 /nfs/dbraw/zinc/21/36/76/420213676.db2.gz HHFVDCUAUQEMDR-ZDUSSCGKSA-N 2 1 280.416 -0.071 20 0 CBADMP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1(C)C ZINC000655051746 420213679 /nfs/dbraw/zinc/21/36/79/420213679.db2.gz HHFVDCUAUQEMDR-ZDUSSCGKSA-N 2 1 280.416 -0.071 20 0 CBADMP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1(C)C ZINC000655051746 420213682 /nfs/dbraw/zinc/21/36/82/420213682.db2.gz HHFVDCUAUQEMDR-ZDUSSCGKSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000653541357 420147804 /nfs/dbraw/zinc/14/78/04/420147804.db2.gz MTJKNXBBDVVLKV-CHWSQXEVSA-N 2 1 259.394 -0.703 20 0 CBADMP CNC(=O)CCCN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000653588281 420151560 /nfs/dbraw/zinc/15/15/60/420151560.db2.gz NKEOZNZKQOWVBO-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000653625950 420151876 /nfs/dbraw/zinc/15/18/76/420151876.db2.gz YHPPYNMTWSPDPE-GRYCIOLGSA-N 2 1 257.378 -0.115 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000653663792 420156402 /nfs/dbraw/zinc/15/64/02/420156402.db2.gz KAMLTAXHXFWGKZ-WDEREUQCSA-N 2 1 257.378 -0.054 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@]12CCNC2=O ZINC000653717281 420157062 /nfs/dbraw/zinc/15/70/62/420157062.db2.gz ODASTADPBMJSMR-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694622 420158020 /nfs/dbraw/zinc/15/80/20/420158020.db2.gz LGVDHZSJWUUESA-WUHRBBMRSA-N 2 1 258.362 -0.904 20 0 CBADMP O=C1CNC(=O)N1CCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369600044 420164849 /nfs/dbraw/zinc/16/48/49/420164849.db2.gz NRZXLXTUWGROSE-UPJWGTAASA-N 2 1 292.383 -0.046 20 0 CBADMP O=C1CNC(=O)N1CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369600044 420164854 /nfs/dbraw/zinc/16/48/54/420164854.db2.gz NRZXLXTUWGROSE-UPJWGTAASA-N 2 1 292.383 -0.046 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369600044 420164860 /nfs/dbraw/zinc/16/48/60/420164860.db2.gz NRZXLXTUWGROSE-UPJWGTAASA-N 2 1 292.383 -0.046 20 0 CBADMP O=C1CNC(=O)N1CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369600044 420164865 /nfs/dbraw/zinc/16/48/65/420164865.db2.gz NRZXLXTUWGROSE-UPJWGTAASA-N 2 1 292.383 -0.046 20 0 CBADMP O=C1CNC(=O)N1CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369600044 420164870 /nfs/dbraw/zinc/16/48/70/420164870.db2.gz NRZXLXTUWGROSE-UPJWGTAASA-N 2 1 292.383 -0.046 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000369926343 420169241 /nfs/dbraw/zinc/16/92/41/420169241.db2.gz ISTSHVWDWZQTMW-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000369926343 420169246 /nfs/dbraw/zinc/16/92/46/420169246.db2.gz ISTSHVWDWZQTMW-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)[C@H]1CC[NH3+] ZINC000404288414 420224147 /nfs/dbraw/zinc/22/41/47/420224147.db2.gz JGHCQQHNETZERJ-MNOVXSKESA-N 2 1 268.361 -0.013 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000405075882 420227321 /nfs/dbraw/zinc/22/73/21/420227321.db2.gz JPABICXJVCOPKO-CHWSQXEVSA-N 2 1 297.403 -0.316 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655244181 420234326 /nfs/dbraw/zinc/23/43/26/420234326.db2.gz NRZOHJYHPIFDSJ-MQYQWHSLSA-N 2 1 299.415 -0.069 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655244181 420234331 /nfs/dbraw/zinc/23/43/31/420234331.db2.gz NRZOHJYHPIFDSJ-MQYQWHSLSA-N 2 1 299.415 -0.069 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297239 420241398 /nfs/dbraw/zinc/24/13/98/420241398.db2.gz HNZRODMFNKKUQR-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655298010 420241762 /nfs/dbraw/zinc/24/17/62/420241762.db2.gz ZDLWBCSQEQSOQR-TUAOUCFPSA-N 2 1 253.346 -0.642 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298010 420241767 /nfs/dbraw/zinc/24/17/67/420241767.db2.gz ZDLWBCSQEQSOQR-TUAOUCFPSA-N 2 1 253.346 -0.642 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298010 420241771 /nfs/dbraw/zinc/24/17/71/420241771.db2.gz ZDLWBCSQEQSOQR-TUAOUCFPSA-N 2 1 253.346 -0.642 20 0 CBADMP CC(C)[C@@H](CNC(=O)N(C)CC[NH3+])[NH+]1CCOCC1 ZINC000416934100 420242390 /nfs/dbraw/zinc/24/23/90/420242390.db2.gz CXSJXGWFXQFTMH-GFCCVEGCSA-N 2 1 272.393 -0.057 20 0 CBADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@H](C)C[NH3+])[nH+]c1 ZINC000419091344 420243382 /nfs/dbraw/zinc/24/33/82/420243382.db2.gz GJYRSYFBFDIEMA-LLVKDONJSA-N 2 1 293.371 -0.228 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000419582144 420245752 /nfs/dbraw/zinc/24/57/52/420245752.db2.gz JEFWNJCXPONDRB-UTUOFQBUSA-N 2 1 296.415 -0.029 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000420156764 420248760 /nfs/dbraw/zinc/24/87/60/420248760.db2.gz NURHFJSUHXIMEE-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000655449777 420249737 /nfs/dbraw/zinc/24/97/37/420249737.db2.gz OLJXQXDUBBBDIZ-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H](O)CNc1cc(NC[C@H]2C[NH2+]CCN2C)nc[nH+]1 ZINC000420275606 420252354 /nfs/dbraw/zinc/25/23/54/420252354.db2.gz OGXLVBVTADAEHH-GHMZBOCLSA-N 2 1 280.376 -0.415 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487575 420255746 /nfs/dbraw/zinc/25/57/46/420255746.db2.gz IBAMNDRHQFJKCE-YIYPIFLZSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487575 420255747 /nfs/dbraw/zinc/25/57/47/420255747.db2.gz IBAMNDRHQFJKCE-YIYPIFLZSA-N 2 1 299.415 -0.021 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000422961632 420256108 /nfs/dbraw/zinc/25/61/08/420256108.db2.gz CPJAOUSKMQCGQS-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H](CNC(=O)COCC[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489621 420256377 /nfs/dbraw/zinc/25/63/77/420256377.db2.gz WMAVMGNQOJPNSP-SDDRHHMPSA-N 2 1 273.377 -0.424 20 0 CBADMP C[C@@H](CNC(=O)COCC[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489621 420256382 /nfs/dbraw/zinc/25/63/82/420256382.db2.gz WMAVMGNQOJPNSP-SDDRHHMPSA-N 2 1 273.377 -0.424 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655515428 420262133 /nfs/dbraw/zinc/26/21/33/420262133.db2.gz JXLGOGDQVDFAES-SFYZADRCSA-N 2 1 269.267 -0.287 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655515428 420262137 /nfs/dbraw/zinc/26/21/37/420262137.db2.gz JXLGOGDQVDFAES-SFYZADRCSA-N 2 1 269.267 -0.287 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000427854445 420267690 /nfs/dbraw/zinc/26/76/90/420267690.db2.gz AVXBAKIMWCOKGH-NXEZZACHSA-N 2 1 254.334 -0.532 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655755284 420270508 /nfs/dbraw/zinc/27/05/08/420270508.db2.gz WEHLWXDHGNMHAI-CABCVRRESA-N 2 1 283.416 -0.104 20 0 CBADMP C[C@@H]([NH3+])CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000442665108 420290903 /nfs/dbraw/zinc/29/09/03/420290903.db2.gz OCQZNKLVZVVDJN-CYBMUJFWSA-N 2 1 268.405 -0.036 20 0 CBADMP [NH3+]C[C@@H](NC(=O)NCCC[NH+]1CCOCC1)C(F)(F)F ZINC000655910064 420276637 /nfs/dbraw/zinc/27/66/37/420276637.db2.gz LQXHSIONSKPQKO-SECBINFHSA-N 2 1 298.309 -0.103 20 0 CBADMP C[C@H]1CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC[N@@H+]1CCO ZINC000655924899 420278792 /nfs/dbraw/zinc/27/87/92/420278792.db2.gz SLYCPCCEYQJMLT-DTWKUNHWSA-N 2 1 298.309 -0.416 20 0 CBADMP C[C@H]1CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC[N@H+]1CCO ZINC000655924899 420278796 /nfs/dbraw/zinc/27/87/96/420278796.db2.gz SLYCPCCEYQJMLT-DTWKUNHWSA-N 2 1 298.309 -0.416 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963020 420283609 /nfs/dbraw/zinc/28/36/09/420283609.db2.gz FFXRFKYZWZQNCA-QJPTWQEYSA-N 2 1 270.377 -0.570 20 0 CBADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968090 420284054 /nfs/dbraw/zinc/28/40/54/420284054.db2.gz MCDWOASKZYETJM-CHWFTXMASA-N 2 1 256.350 -0.818 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655965095 420284278 /nfs/dbraw/zinc/28/42/78/420284278.db2.gz NENJSEXZVOZOCD-OUAUKWLOSA-N 2 1 256.350 -0.816 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655965491 420284895 /nfs/dbraw/zinc/28/48/95/420284895.db2.gz FACZPZBFYZCEMZ-DTWKUNHWSA-N 2 1 278.303 -0.959 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655965491 420284897 /nfs/dbraw/zinc/28/48/97/420284897.db2.gz FACZPZBFYZCEMZ-DTWKUNHWSA-N 2 1 278.303 -0.959 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC000655967023 420285147 /nfs/dbraw/zinc/28/51/47/420285147.db2.gz KRMQVCHBISJGBI-MROQNXINSA-N 2 1 282.388 -0.413 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968129 420285719 /nfs/dbraw/zinc/28/57/19/420285719.db2.gz NDBKFQMQBWVTRX-GARJFASQSA-N 2 1 256.350 -0.816 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000655080962 420219428 /nfs/dbraw/zinc/21/94/28/420219428.db2.gz AVELPAZHKAPJHQ-JTQLQIEISA-N 2 1 281.360 -0.626 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@H](CO)CN2CCOCC2)CC[N@H+]1C ZINC000508342526 420355010 /nfs/dbraw/zinc/35/50/10/420355010.db2.gz ZQLHGRWZSGAHGA-MELADBBJSA-N 2 1 299.415 -0.474 20 0 CBADMP [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656019143 420291976 /nfs/dbraw/zinc/29/19/76/420291976.db2.gz AEVXZHQANGMXRE-NEPJUHHUSA-N 2 1 282.388 -0.416 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656022118 420293274 /nfs/dbraw/zinc/29/32/74/420293274.db2.gz BYNNOMFIQOONJA-JHJVBQTASA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656021999 420293661 /nfs/dbraw/zinc/29/36/61/420293661.db2.gz RHBDHGWGYHAGJZ-SDDRHHMPSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656022701 420294183 /nfs/dbraw/zinc/29/41/83/420294183.db2.gz KLABPLRMZHZSOI-FRRDWIJNSA-N 2 1 296.415 -0.170 20 0 CBADMP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656028501 420294639 /nfs/dbraw/zinc/29/46/39/420294639.db2.gz LXEKPCQESZATBP-AVGNSLFASA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656028454 420294734 /nfs/dbraw/zinc/29/47/34/420294734.db2.gz LFUWPVUAOZWIRU-UPJWGTAASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656028452 420295114 /nfs/dbraw/zinc/29/51/14/420295114.db2.gz LFUWPVUAOZWIRU-FRRDWIJNSA-N 2 1 296.415 -0.075 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656028057 420295325 /nfs/dbraw/zinc/29/53/25/420295325.db2.gz IBGQHDGKBNBTEI-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH2+]CC1 ZINC000656027774 420295342 /nfs/dbraw/zinc/29/53/42/420295342.db2.gz DQQORJNKCULYMB-QWHCGFSZSA-N 2 1 294.399 -0.449 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000517387566 420376026 /nfs/dbraw/zinc/37/60/26/420376026.db2.gz KFOHRNCDMKDIQF-CYBMUJFWSA-N 2 1 297.403 -0.529 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000517387566 420376029 /nfs/dbraw/zinc/37/60/29/420376029.db2.gz KFOHRNCDMKDIQF-CYBMUJFWSA-N 2 1 297.403 -0.529 20 0 CBADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000517563147 420378138 /nfs/dbraw/zinc/37/81/38/420378138.db2.gz JHZJFJJAKORXSW-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](CNC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+](C)C ZINC000519387563 420381359 /nfs/dbraw/zinc/38/13/59/420381359.db2.gz LMKXLTWVFVUWFN-DGAVXFQQSA-N 2 1 273.421 -0.004 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000518715802 420381595 /nfs/dbraw/zinc/38/15/95/420381595.db2.gz VEEMYIPRVZDVFU-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000519655150 420386834 /nfs/dbraw/zinc/38/68/34/420386834.db2.gz YHDXIKNKANOXSN-UHFFFAOYSA-N 2 1 255.362 -0.094 20 0 CBADMP CCN(C(=O)C(=O)N(C)Cc1c[nH]cn1)[C@@H]1CC[N@@H+](C)C1 ZINC000658801743 420388715 /nfs/dbraw/zinc/38/87/15/420388715.db2.gz FQGTXKICIHJEHL-GFCCVEGCSA-N 2 1 293.371 -0.079 20 0 CBADMP CCN(C(=O)C(=O)N(C)Cc1cnc[nH]1)[C@@H]1CC[N@H+](C)C1 ZINC000658801743 420388720 /nfs/dbraw/zinc/38/87/20/420388720.db2.gz FQGTXKICIHJEHL-GFCCVEGCSA-N 2 1 293.371 -0.079 20 0 CBADMP CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000658806650 420389377 /nfs/dbraw/zinc/38/93/77/420389377.db2.gz IBPGJDMSZKPJKE-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C(=O)CN1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000673669255 544884134 /nfs/dbraw/zinc/88/41/34/544884134.db2.gz GQYDBFIEZAKYFS-AWEZNQCLSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C(=O)CN1CC[NH+](C)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000673669255 544884137 /nfs/dbraw/zinc/88/41/37/544884137.db2.gz GQYDBFIEZAKYFS-AWEZNQCLSA-N 2 1 280.416 -0.071 20 0 CBADMP Cn1[nH]c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1=O ZINC000516971245 420367061 /nfs/dbraw/zinc/36/70/61/420367061.db2.gz PKKKVAZOLQTYMC-QWRGUYRKSA-N 2 1 265.361 -0.070 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000659452885 420419944 /nfs/dbraw/zinc/41/99/44/420419944.db2.gz UETFWAGLTRNRDZ-LLVKDONJSA-N 2 1 299.419 -0.554 20 0 CBADMP C[N@@H+](CCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C1CC1 ZINC000659454590 420420058 /nfs/dbraw/zinc/42/00/58/420420058.db2.gz KYAVKRYLDIIIKQ-UHFFFAOYSA-N 2 1 294.359 -0.466 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000659451262 420420179 /nfs/dbraw/zinc/42/01/79/420420179.db2.gz DGXFCMJILRADMC-RYUDHWBXSA-N 2 1 271.409 -0.471 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000659451264 420420236 /nfs/dbraw/zinc/42/02/36/420420236.db2.gz DGXFCMJILRADMC-VXGBXAGGSA-N 2 1 271.409 -0.471 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1([NH3+])CCCC1 ZINC000659453879 420420320 /nfs/dbraw/zinc/42/03/20/420420320.db2.gz UWMXNOGREFFRFU-LBPRGKRZSA-N 2 1 283.420 -0.197 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NCC[NH+]1CCSCC1 ZINC000659454615 420420607 /nfs/dbraw/zinc/42/06/07/420420607.db2.gz LOKOXRLOCCOQDV-SNVBAGLBSA-N 2 1 260.407 -0.058 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000659453587 420420705 /nfs/dbraw/zinc/42/07/05/420420705.db2.gz OFCLFULUXJPYHK-MNOVXSKESA-N 2 1 257.382 -0.861 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000659466203 420421311 /nfs/dbraw/zinc/42/13/11/420421311.db2.gz VQYULRHFTISDNW-SECBINFHSA-N 2 1 268.365 -0.107 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000659458819 420421588 /nfs/dbraw/zinc/42/15/88/420421588.db2.gz UKDKQTPXHQDNEL-QWRGUYRKSA-N 2 1 258.366 -0.386 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000659459040 420422153 /nfs/dbraw/zinc/42/21/53/420422153.db2.gz YBPHTFPHLXQIDN-RYUDHWBXSA-N 2 1 272.393 -0.138 20 0 CBADMP C[C@@H](NC(=O)N(C)CCC[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000659471135 420422256 /nfs/dbraw/zinc/42/22/56/420422256.db2.gz OAQCTMOLNUCDBY-MNOVXSKESA-N 2 1 258.366 -0.304 20 0 CBADMP C[C@@H](NC(=O)N(C)CCC[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000659471135 420422257 /nfs/dbraw/zinc/42/22/57/420422257.db2.gz OAQCTMOLNUCDBY-MNOVXSKESA-N 2 1 258.366 -0.304 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000659496143 420424210 /nfs/dbraw/zinc/42/42/10/420424210.db2.gz KDQORANOMRITAI-NSHDSACASA-N 2 1 258.366 -0.384 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000681112578 545043956 /nfs/dbraw/zinc/04/39/56/545043956.db2.gz DXMKHGILPDTUCS-LBPRGKRZSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000681112578 545043957 /nfs/dbraw/zinc/04/39/57/545043957.db2.gz DXMKHGILPDTUCS-LBPRGKRZSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000681112578 545043958 /nfs/dbraw/zinc/04/39/58/545043958.db2.gz DXMKHGILPDTUCS-LBPRGKRZSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[N@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C[C@@H]1C ZINC000677930640 545008838 /nfs/dbraw/zinc/00/88/38/545008838.db2.gz DLVDKGZCELXIML-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C[C@@H]1C ZINC000677930640 545008840 /nfs/dbraw/zinc/00/88/40/545008840.db2.gz DLVDKGZCELXIML-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C[C@@H]1C ZINC000677930640 545008842 /nfs/dbraw/zinc/00/88/42/545008842.db2.gz DLVDKGZCELXIML-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCC(F)(F)C[NH3+])n1 ZINC000659532656 420430262 /nfs/dbraw/zinc/43/02/62/420430262.db2.gz PTDOJKCJGQMDNT-UHFFFAOYSA-N 2 1 290.274 -0.966 20 0 CBADMP CCNC(=O)CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000679635713 545031052 /nfs/dbraw/zinc/03/10/52/545031052.db2.gz HOUDWIHYPVLCOE-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCNC(=O)CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000679635713 545031054 /nfs/dbraw/zinc/03/10/54/545031054.db2.gz HOUDWIHYPVLCOE-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000659546472 420431690 /nfs/dbraw/zinc/43/16/90/420431690.db2.gz CHLGBDFGNMTJMA-WYUUTHIRSA-N 2 1 252.362 -0.012 20 0 CBADMP C[C@@H]1C[C@H](O)C[N@@H+]1CC1(CN2C[C@@H](O)C[C@@H]2C)COC1 ZINC000679857483 545033419 /nfs/dbraw/zinc/03/34/19/545033419.db2.gz ZEURQMVJFLDSDH-CRWXNKLISA-N 2 1 284.400 -0.087 20 0 CBADMP C[C@@H]1C[C@H](O)C[NH+]1CC1(C[N@H+]2C[C@@H](O)C[C@@H]2C)COC1 ZINC000679857483 545033422 /nfs/dbraw/zinc/03/34/22/545033422.db2.gz ZEURQMVJFLDSDH-CRWXNKLISA-N 2 1 284.400 -0.087 20 0 CBADMP C[C@@H]1C[C@H](O)C[NH+]1CC1(C[N@@H+]2C[C@@H](O)C[C@@H]2C)COC1 ZINC000679857483 545033425 /nfs/dbraw/zinc/03/34/25/545033425.db2.gz ZEURQMVJFLDSDH-CRWXNKLISA-N 2 1 284.400 -0.087 20 0 CBADMP C[C@@H]1C[C@H](O)C[N@H+]1CC1(C[NH+]2C[C@@H](O)C[C@@H]2C)COC1 ZINC000679857483 545033427 /nfs/dbraw/zinc/03/34/27/545033427.db2.gz ZEURQMVJFLDSDH-CRWXNKLISA-N 2 1 284.400 -0.087 20 0 CBADMP C[C@@H]1C[C@H](O)C[N@@H+]1CC1(C[NH+]2C[C@@H](O)C[C@@H]2C)COC1 ZINC000679857483 545033429 /nfs/dbraw/zinc/03/34/29/545033429.db2.gz ZEURQMVJFLDSDH-CRWXNKLISA-N 2 1 284.400 -0.087 20 0 CBADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000377569965 230294994 /nfs/dbraw/zinc/29/49/94/230294994.db2.gz DKGSUHXWTWXJMH-IJLUTSLNSA-N 2 1 255.362 -0.144 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000680834143 545040700 /nfs/dbraw/zinc/04/07/00/545040700.db2.gz BJKJNZPJAMNHAZ-UKRRQHHQSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000680834143 545040701 /nfs/dbraw/zinc/04/07/01/545040701.db2.gz BJKJNZPJAMNHAZ-UKRRQHHQSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000680834143 545040702 /nfs/dbraw/zinc/04/07/02/545040702.db2.gz BJKJNZPJAMNHAZ-UKRRQHHQSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000659750973 420467352 /nfs/dbraw/zinc/46/73/52/420467352.db2.gz ROROBLLDJDMKED-XQQFMLRXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000659749754 420467739 /nfs/dbraw/zinc/46/77/39/420467739.db2.gz JFIDRVVHCPZPNH-VXGBXAGGSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000659749754 420467741 /nfs/dbraw/zinc/46/77/41/420467741.db2.gz JFIDRVVHCPZPNH-VXGBXAGGSA-N 2 1 284.404 -0.491 20 0 CBADMP CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000683230083 545063409 /nfs/dbraw/zinc/06/34/09/545063409.db2.gz UDLOJVBYKHGNLJ-VXGBXAGGSA-N 2 1 292.449 -0.109 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000659753252 420468574 /nfs/dbraw/zinc/46/85/74/420468574.db2.gz PCYBILFQPOBNIK-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000659757506 420468898 /nfs/dbraw/zinc/46/88/98/420468898.db2.gz YXAOWHIHNYFUBQ-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000659757509 420469313 /nfs/dbraw/zinc/46/93/13/420469313.db2.gz YXAOWHIHNYFUBQ-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)NCC12CC(C1)C[NH2+]2 ZINC000659613846 420437766 /nfs/dbraw/zinc/43/77/66/420437766.db2.gz MYCWJXUAGBQFSN-OWYJLGKBSA-N 2 1 296.415 -0.116 20 0 CBADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@](C)(O)CO)cn2)CC1 ZINC000684536581 545075686 /nfs/dbraw/zinc/07/56/86/545075686.db2.gz LTPWKIPVNIPHSV-AWEZNQCLSA-N 2 1 295.387 -0.939 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659615161 420438961 /nfs/dbraw/zinc/43/89/61/420438961.db2.gz HUXFKVUMLUDKHV-GDKBPFBDSA-N 2 1 268.361 -0.896 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000682010698 545053661 /nfs/dbraw/zinc/05/36/61/545053661.db2.gz FQUUNQSTLUFHCF-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000682010698 545053662 /nfs/dbraw/zinc/05/36/62/545053662.db2.gz FQUUNQSTLUFHCF-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000682010698 545053663 /nfs/dbraw/zinc/05/36/63/545053663.db2.gz FQUUNQSTLUFHCF-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000682010698 545053664 /nfs/dbraw/zinc/05/36/64/545053664.db2.gz FQUUNQSTLUFHCF-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494700819 230362192 /nfs/dbraw/zinc/36/21/92/230362192.db2.gz XLQNEPJAFJRWAF-STQMWFEESA-N 2 1 296.415 -0.025 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000659643271 420443067 /nfs/dbraw/zinc/44/30/67/420443067.db2.gz PTUQGCNHGKIWGR-NEPJUHHUSA-N 2 1 272.393 -0.260 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000659679564 420447303 /nfs/dbraw/zinc/44/73/03/420447303.db2.gz ZLLLFECZEJJACO-NGWKBDRKSA-N 2 1 294.399 -0.547 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000659677523 420447592 /nfs/dbraw/zinc/44/75/92/420447592.db2.gz DMLJJLTZWBRJII-GARJFASQSA-N 2 1 270.377 -0.691 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@H+]1C ZINC000659679533 420447864 /nfs/dbraw/zinc/44/78/64/420447864.db2.gz ZIPXYXFALHABKP-BVWOZKJXSA-N 2 1 294.399 -0.465 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000659687102 420448868 /nfs/dbraw/zinc/44/88/68/420448868.db2.gz QOSUJDQDVBREHA-UWVGGRQHSA-N 2 1 268.361 -0.937 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659691058 420449761 /nfs/dbraw/zinc/44/97/61/420449761.db2.gz GLUPEPPHSDSHQJ-GFCCVEGCSA-N 2 1 295.387 -0.203 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659691928 420449922 /nfs/dbraw/zinc/44/99/22/420449922.db2.gz OUDRTIQNNJKYAP-UHFFFAOYSA-N 2 1 293.371 -0.305 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000659690637 420449955 /nfs/dbraw/zinc/44/99/55/420449955.db2.gz PVYZROHITCCZHL-UHFFFAOYSA-N 2 1 281.360 -0.495 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000659688629 420450054 /nfs/dbraw/zinc/45/00/54/420450054.db2.gz DGEOFQLZJBFXAW-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000659696318 420450869 /nfs/dbraw/zinc/45/08/69/420450869.db2.gz KUEHJMRCIFLUFK-ODWCKFRGSA-N 2 1 296.415 -0.158 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CCCC1)C1CC1 ZINC000659699954 420451590 /nfs/dbraw/zinc/45/15/90/420451590.db2.gz XXZSFLBFRYCIEX-UHFFFAOYSA-N 2 1 296.415 -0.025 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659699105 420451857 /nfs/dbraw/zinc/45/18/57/420451857.db2.gz LKINTTKASRLYFV-MNOVXSKESA-N 2 1 272.393 -0.443 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000659701817 420451892 /nfs/dbraw/zinc/45/18/92/420451892.db2.gz JUPGWOXHVVEIAE-GHMZBOCLSA-N 2 1 282.388 -0.523 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000659701771 420452057 /nfs/dbraw/zinc/45/20/57/420452057.db2.gz JJRUSAQFYPBOIY-TUAOUCFPSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1=CC[N@@H+](C)CC1 ZINC000659701424 420452131 /nfs/dbraw/zinc/45/21/31/420452131.db2.gz DRBVEDPPNHHAMH-NSHDSACASA-N 2 1 296.415 -0.051 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659698186 420452185 /nfs/dbraw/zinc/45/21/85/420452185.db2.gz AGFDMGRNGPUWSW-XIKARTHZSA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000659702556 420453393 /nfs/dbraw/zinc/45/33/93/420453393.db2.gz PVFYUKSFLNTGCR-NXEZZACHSA-N 2 1 270.377 -0.691 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659709570 420454422 /nfs/dbraw/zinc/45/44/22/420454422.db2.gz JEWTXDXCOPENKQ-GFCCVEGCSA-N 2 1 282.388 -0.545 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000659712119 420455993 /nfs/dbraw/zinc/45/59/93/420455993.db2.gz IAVZUCZCYZPFAP-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000659726261 420460237 /nfs/dbraw/zinc/46/02/37/420460237.db2.gz IQABSBFBGSKMLD-YNEHKIRRSA-N 2 1 296.415 -0.156 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000659738137 420462814 /nfs/dbraw/zinc/46/28/14/420462814.db2.gz AIVZCIYSNAADMU-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659738962 420463168 /nfs/dbraw/zinc/46/31/68/420463168.db2.gz BNBXDLIRBXREPB-CVZZAPKMSA-N 2 1 280.372 -0.935 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000659738861 420463438 /nfs/dbraw/zinc/46/34/38/420463438.db2.gz JGSBJANWGPKUDG-IUODEOHRSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000659738278 420463491 /nfs/dbraw/zinc/46/34/91/420463491.db2.gz DGKIDVFMPMNNHF-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)C1 ZINC000659738157 420463547 /nfs/dbraw/zinc/46/35/47/420463547.db2.gz AUBZCPZFUVHQLZ-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659738508 420463595 /nfs/dbraw/zinc/46/35/95/420463595.db2.gz FGAMJZCUDBYXJR-AVERBVTBSA-N 2 1 294.399 -0.545 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659740885 420464320 /nfs/dbraw/zinc/46/43/20/420464320.db2.gz FHWQZQXSXJWYNF-UHFFFAOYSA-N 2 1 294.399 -0.591 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH2+]C)C2)C1 ZINC000659739304 420464531 /nfs/dbraw/zinc/46/45/31/420464531.db2.gz QMSGXKYVNMDCIF-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659739238 420464552 /nfs/dbraw/zinc/46/45/52/420464552.db2.gz OKRJTRNHIMGKDB-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659739046 420464640 /nfs/dbraw/zinc/46/46/40/420464640.db2.gz MAAIDTMFSGNZQF-XQQFMLRXSA-N 2 1 294.399 -0.735 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000659739301 420465086 /nfs/dbraw/zinc/46/50/86/420465086.db2.gz QLBPHKAIAZTFRO-UPJWGTAASA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000659739508 420465113 /nfs/dbraw/zinc/46/51/13/420465113.db2.gz WLXRDRKWPYYXAF-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH2+]C)C2)C1 ZINC000659739305 420465300 /nfs/dbraw/zinc/46/53/00/420465300.db2.gz QMSGXKYVNMDCIF-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659749824 420467154 /nfs/dbraw/zinc/46/71/54/420467154.db2.gz KEYDYJFQDVUIQV-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)[C@]1(CO)CCOC1 ZINC000660240025 420487289 /nfs/dbraw/zinc/48/72/89/420487289.db2.gz UTLFRCIGWBALMV-OLZOCXBDSA-N 2 1 260.378 -0.229 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000517338036 260148511 /nfs/dbraw/zinc/14/85/11/260148511.db2.gz BEYFXGUMXGYHNI-MRVWCRGKSA-N 2 1 295.431 -0.328 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC[C@H]3CCOC3)CCN2C1=O ZINC000521646512 260198728 /nfs/dbraw/zinc/19/87/28/260198728.db2.gz VYAKQBQTBKGTLG-SDDRHHMPSA-N 2 1 253.346 -0.343 20 0 CBADMP O=C([C@H]1CSC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000521438141 262370552 /nfs/dbraw/zinc/37/05/52/262370552.db2.gz RSTOYAOGOMPEEY-WDEREUQCSA-N 2 1 270.402 -0.845 20 0 CBADMP C[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000519117892 265323739 /nfs/dbraw/zinc/32/37/39/265323739.db2.gz JNPPVSMIYOVFQJ-LLVKDONJSA-N 2 1 297.403 -0.800 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519156806 265336402 /nfs/dbraw/zinc/33/64/02/265336402.db2.gz PBOMDPTWHMYWAK-GHMZBOCLSA-N 2 1 268.361 -0.996 20 0 CBADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000516970952 265994655 /nfs/dbraw/zinc/99/46/55/265994655.db2.gz MYTZVHSHXNFTGZ-WDEREUQCSA-N 2 1 270.402 -0.845 20 0 CBADMP CN(CCC[N@@H+](C)CC1(CO)COC1)CC[NH+](C)C ZINC000517258111 269597147 /nfs/dbraw/zinc/59/71/47/269597147.db2.gz SGOHWJABWOCJLQ-UHFFFAOYSA-N 2 1 273.421 -0.189 20 0 CBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@H]1COCC[NH2+]1 ZINC000529292768 269630364 /nfs/dbraw/zinc/63/03/64/269630364.db2.gz VKDWYXCQTXAPOM-NEPJUHHUSA-N 2 1 282.388 -0.242 20 0 CBADMP C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000237459471 274234585 /nfs/dbraw/zinc/23/45/85/274234585.db2.gz ODABNQGBKQJHTR-GFCCVEGCSA-N 2 1 292.387 -0.548 20 0 CBADMP CC[NH+](CC)CCOCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000348154377 276100105 /nfs/dbraw/zinc/10/01/05/276100105.db2.gz CQQIUEXTIGOSBD-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+](CC)CCOCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000348154377 276100107 /nfs/dbraw/zinc/10/01/07/276100107.db2.gz CQQIUEXTIGOSBD-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)C1CC1 ZINC000419520978 276125258 /nfs/dbraw/zinc/12/52/58/276125258.db2.gz JHSYSXGDIGVHAS-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362650112 276240449 /nfs/dbraw/zinc/24/04/49/276240449.db2.gz SWFOMOZYHPBRRG-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000413922327 276246549 /nfs/dbraw/zinc/24/65/49/276246549.db2.gz POLLVBUIFDASDM-LBPRGKRZSA-N 2 1 285.388 -0.109 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000413922327 276246551 /nfs/dbraw/zinc/24/65/51/276246551.db2.gz POLLVBUIFDASDM-LBPRGKRZSA-N 2 1 285.388 -0.109 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000413922327 276246552 /nfs/dbraw/zinc/24/65/52/276246552.db2.gz POLLVBUIFDASDM-LBPRGKRZSA-N 2 1 285.388 -0.109 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000413922327 276246554 /nfs/dbraw/zinc/24/65/54/276246554.db2.gz POLLVBUIFDASDM-LBPRGKRZSA-N 2 1 285.388 -0.109 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)C1CC1 ZINC000419521288 276345188 /nfs/dbraw/zinc/34/51/88/276345188.db2.gz JYGLLEOQUMQORS-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](CC(N)=O)C1)C1CC1 ZINC000685585274 545082026 /nfs/dbraw/zinc/08/20/26/545082026.db2.gz DYLUBOSPDYAKFE-ZYHUDNBSSA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](CC(N)=O)C1)C1CC1 ZINC000685585274 545082027 /nfs/dbraw/zinc/08/20/27/545082027.db2.gz DYLUBOSPDYAKFE-ZYHUDNBSSA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](CC(N)=O)C1)C1CC1 ZINC000685585274 545082029 /nfs/dbraw/zinc/08/20/29/545082029.db2.gz DYLUBOSPDYAKFE-ZYHUDNBSSA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](CC(N)=O)C1)C1CC1 ZINC000685585274 545082030 /nfs/dbraw/zinc/08/20/30/545082030.db2.gz DYLUBOSPDYAKFE-ZYHUDNBSSA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@H+](C[C@H](O)CN1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000685569554 545082200 /nfs/dbraw/zinc/08/22/00/545082200.db2.gz VLZFNRXNVFKTCS-GJZGRUSLSA-N 2 1 283.416 -0.152 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000685569554 545082201 /nfs/dbraw/zinc/08/22/01/545082201.db2.gz VLZFNRXNVFKTCS-GJZGRUSLSA-N 2 1 283.416 -0.152 20 0 CBADMP CNC(=O)C[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361175640 277001320 /nfs/dbraw/zinc/00/13/20/277001320.db2.gz QLBJJBCQLPLBCO-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)NCC(F)(F)C[NH3+] ZINC000418510726 277027044 /nfs/dbraw/zinc/02/70/44/277027044.db2.gz IKLYRSLWXMWHPN-QMMMGPOBSA-N 2 1 250.293 -0.026 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)C1 ZINC000442782994 277044515 /nfs/dbraw/zinc/04/45/15/277044515.db2.gz QXNOZDHNRUQLRT-FPMFFAJLSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)C1 ZINC000442782994 277044516 /nfs/dbraw/zinc/04/45/16/277044516.db2.gz QXNOZDHNRUQLRT-FPMFFAJLSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000430947986 277056451 /nfs/dbraw/zinc/05/64/51/277056451.db2.gz GQULCHLUKGJTNH-STQMWFEESA-N 2 1 282.388 -0.606 20 0 CBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000430947986 277056454 /nfs/dbraw/zinc/05/64/54/277056454.db2.gz GQULCHLUKGJTNH-STQMWFEESA-N 2 1 282.388 -0.606 20 0 CBADMP COC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420356729 277084323 /nfs/dbraw/zinc/08/43/23/277084323.db2.gz GUVNXUFVNGDDNC-LBPRGKRZSA-N 2 1 283.372 -0.164 20 0 CBADMP COC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420356729 277084324 /nfs/dbraw/zinc/08/43/24/277084324.db2.gz GUVNXUFVNGDDNC-LBPRGKRZSA-N 2 1 283.372 -0.164 20 0 CBADMP C[N@@H+]1CCN(C(=O)CNC(=O)C[NH3+])c2ccccc2C1 ZINC000125226160 277090445 /nfs/dbraw/zinc/09/04/45/277090445.db2.gz DLFZWDPLVCIZRN-UHFFFAOYSA-N 2 1 276.340 -0.460 20 0 CBADMP C[N@H+]1CCN(C(=O)CNC(=O)C[NH3+])c2ccccc2C1 ZINC000125226160 277090446 /nfs/dbraw/zinc/09/04/46/277090446.db2.gz DLFZWDPLVCIZRN-UHFFFAOYSA-N 2 1 276.340 -0.460 20 0 CBADMP COCCC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCO[C@H]2C)CC1 ZINC000344452353 277206593 /nfs/dbraw/zinc/20/65/93/277206593.db2.gz XDUWIEPQZPLOOQ-GXTWGEPZSA-N 2 1 299.415 -0.020 20 0 CBADMP C[NH2+]CCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000367649339 277265313 /nfs/dbraw/zinc/26/53/13/277265313.db2.gz RYOYHNSWUMJWKU-NSHDSACASA-N 2 1 268.361 -0.981 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419555601 277266792 /nfs/dbraw/zinc/26/67/92/277266792.db2.gz JMKAJDLLTXILLQ-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419698140 277268888 /nfs/dbraw/zinc/26/88/88/277268888.db2.gz SBSODBUPJPYDRC-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000418389576 277282031 /nfs/dbraw/zinc/28/20/31/277282031.db2.gz OGSMJBWPWDRYKJ-RWMBFGLXSA-N 2 1 286.420 -0.062 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000420291004 277320326 /nfs/dbraw/zinc/32/03/26/277320326.db2.gz MWRTWSVZHAZZFZ-SNVBAGLBSA-N 2 1 257.334 -0.569 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000420291004 277320327 /nfs/dbraw/zinc/32/03/27/277320327.db2.gz MWRTWSVZHAZZFZ-SNVBAGLBSA-N 2 1 257.334 -0.569 20 0 CBADMP CC(C)(C[NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000430894294 277297872 /nfs/dbraw/zinc/29/78/72/277297872.db2.gz MFEIMZQXOBBKLA-NSHDSACASA-N 2 1 284.404 -0.325 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000365105205 277301243 /nfs/dbraw/zinc/30/12/43/277301243.db2.gz NKEJSYXJZBKSRJ-FTYKPCCVSA-N 2 1 267.373 -0.038 20 0 CBADMP CC(C)(O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000343617403 277315634 /nfs/dbraw/zinc/31/56/34/277315634.db2.gz CUNNCFGWWOWYHX-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000037626667 277479523 /nfs/dbraw/zinc/47/95/23/277479523.db2.gz YMSHIURYPLJNBW-NXEZZACHSA-N 2 1 258.366 -0.718 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000331428435 278017436 /nfs/dbraw/zinc/01/74/36/278017436.db2.gz VNKLEOXSVJOLCF-UTUOFQBUSA-N 2 1 294.399 -0.323 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH3+])CCC[N@H+]1C ZINC000419556021 278083721 /nfs/dbraw/zinc/08/37/21/278083721.db2.gz JZMJEMYCSROJMA-WOPDTQHZSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCC[N@H+]1C ZINC000419541704 278101050 /nfs/dbraw/zinc/10/10/50/278101050.db2.gz DGBOCSHDVORLBW-GRYCIOLGSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@]1(C(N)=O)CC[N@@H+](CCC[NH+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361565847 278120960 /nfs/dbraw/zinc/12/09/60/278120960.db2.gz QQKXXULVEQLPSU-GASCZTMLSA-N 2 1 296.415 -0.229 20 0 CBADMP C[C@@]1(C(N)=O)CC[NH+](CCC[N@@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361565847 278120961 /nfs/dbraw/zinc/12/09/61/278120961.db2.gz QQKXXULVEQLPSU-GASCZTMLSA-N 2 1 296.415 -0.229 20 0 CBADMP C[C@@]1(C(N)=O)CC[NH+](CCC[N@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361565847 278120963 /nfs/dbraw/zinc/12/09/63/278120963.db2.gz QQKXXULVEQLPSU-GASCZTMLSA-N 2 1 296.415 -0.229 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000419591546 278196405 /nfs/dbraw/zinc/19/64/05/278196405.db2.gz RHNVJQGHGIJQJS-GHMZBOCLSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2COC[C@@H]2O)CC1 ZINC000361293835 278289386 /nfs/dbraw/zinc/28/93/86/278289386.db2.gz AQLJPSWFSMFTMK-UBHSHLNASA-N 2 1 272.389 -0.229 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@@H]1C ZINC000423385783 278290128 /nfs/dbraw/zinc/29/01/28/278290128.db2.gz KUMFAKAOLMTEDM-QWRGUYRKSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@@H]1C ZINC000423385783 278290129 /nfs/dbraw/zinc/29/01/29/278290129.db2.gz KUMFAKAOLMTEDM-QWRGUYRKSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C2([NH3+])CCC2)C[C@H]1C ZINC000449349558 278290141 /nfs/dbraw/zinc/29/01/41/278290141.db2.gz QUDUABGPTUHNCF-MNOVXSKESA-N 2 1 255.362 -0.219 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C2([NH3+])CCC2)C[C@H]1C ZINC000449349558 278290144 /nfs/dbraw/zinc/29/01/44/278290144.db2.gz QUDUABGPTUHNCF-MNOVXSKESA-N 2 1 255.362 -0.219 20 0 CBADMP 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 278392452 /nfs/dbraw/zinc/39/24/52/278392452.db2.gz XLQMFGUGCVZAPQ-ZDEQEGDKSA-N 2 1 294.399 -0.642 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000424164954 278517207 /nfs/dbraw/zinc/51/72/07/278517207.db2.gz AQHGFFSCMWOWDI-WOPDTQHZSA-N 2 1 271.361 -0.848 20 0 CBADMP CC[N@H+](C)CCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000354017712 279032234 /nfs/dbraw/zinc/03/22/34/279032234.db2.gz BVFQFNJXPUNDGN-LBPRGKRZSA-N 2 1 256.394 -0.310 20 0 CBADMP CC[N@@H+](C)CCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000354017712 279032237 /nfs/dbraw/zinc/03/22/37/279032237.db2.gz BVFQFNJXPUNDGN-LBPRGKRZSA-N 2 1 256.394 -0.310 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000515666228 279038050 /nfs/dbraw/zinc/03/80/50/279038050.db2.gz QLWBRSUGXWKVGZ-UTUOFQBUSA-N 2 1 257.378 -0.197 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000457087961 288094856 /nfs/dbraw/zinc/09/48/56/288094856.db2.gz BLTQTBHOIQBIOD-JHJVBQTASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000457087961 288094857 /nfs/dbraw/zinc/09/48/57/288094857.db2.gz BLTQTBHOIQBIOD-JHJVBQTASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457087961 288094859 /nfs/dbraw/zinc/09/48/59/288094859.db2.gz BLTQTBHOIQBIOD-JHJVBQTASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457087961 288094862 /nfs/dbraw/zinc/09/48/62/288094862.db2.gz BLTQTBHOIQBIOD-JHJVBQTASA-N 2 1 269.389 -0.291 20 0 CBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CC[NH3+])CC1 ZINC000237025057 279068113 /nfs/dbraw/zinc/06/81/13/279068113.db2.gz AYKVZZJBWUCZEO-UHFFFAOYSA-N 2 1 284.404 -0.262 20 0 CBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CC[NH3+])CC1 ZINC000237025057 279068114 /nfs/dbraw/zinc/06/81/14/279068114.db2.gz AYKVZZJBWUCZEO-UHFFFAOYSA-N 2 1 284.404 -0.262 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)CCC[N@H+]1C ZINC000347799528 279090186 /nfs/dbraw/zinc/09/01/86/279090186.db2.gz ZMQZNFKKIQWYMJ-AGIUHOORSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCC[N@H+]1C ZINC000419566273 279119429 /nfs/dbraw/zinc/11/94/29/279119429.db2.gz ZSQVZLCUBRQFJX-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000333808516 279166545 /nfs/dbraw/zinc/16/65/45/279166545.db2.gz IVROEBLGXVWQMP-FYLLDIAZSA-N 2 1 256.325 -0.453 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)C1CC1 ZINC000419526552 279189582 /nfs/dbraw/zinc/18/95/82/279189582.db2.gz UBXROEAKFXQKNI-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)C[NH3+])C(C)C ZINC000420019991 279191293 /nfs/dbraw/zinc/19/12/93/279191293.db2.gz DHGLLFITBONNRG-JTQLQIEISA-N 2 1 258.366 -0.704 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)C[NH3+])C(C)C ZINC000419992915 279191424 /nfs/dbraw/zinc/19/14/24/279191424.db2.gz DHGLLFITBONNRG-SNVBAGLBSA-N 2 1 258.366 -0.704 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430919607 279195739 /nfs/dbraw/zinc/19/57/39/279195739.db2.gz LSNUEKIPBOWGTJ-UTUOFQBUSA-N 2 1 282.388 -0.621 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430919607 279195741 /nfs/dbraw/zinc/19/57/41/279195741.db2.gz LSNUEKIPBOWGTJ-UTUOFQBUSA-N 2 1 282.388 -0.621 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419587176 279268238 /nfs/dbraw/zinc/26/82/38/279268238.db2.gz NMKOPTHZAWGCKI-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419586302 279268341 /nfs/dbraw/zinc/26/83/41/279268341.db2.gz MTCCJHYHFBRRMK-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000370774481 288121538 /nfs/dbraw/zinc/12/15/38/288121538.db2.gz ROICQMRQQYKBCG-USWWRNFRSA-N 2 1 253.346 -0.426 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419593076 279279196 /nfs/dbraw/zinc/27/91/96/279279196.db2.gz SNFPWNKUGGDGOI-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000333637600 279285450 /nfs/dbraw/zinc/28/54/50/279285450.db2.gz HPLATQGEEIRBCO-UHFFFAOYSA-N 2 1 283.420 -0.371 20 0 CBADMP Cn1c(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc(=O)n(C)c1=O ZINC000070150066 279307445 /nfs/dbraw/zinc/30/74/45/279307445.db2.gz BBQDGARQDKNVKC-NSHDSACASA-N 2 1 280.372 -0.213 20 0 CBADMP Cn1c(C[N@H+]2CCCC[C@H]2CC[NH3+])cc(=O)n(C)c1=O ZINC000070150066 279307447 /nfs/dbraw/zinc/30/74/47/279307447.db2.gz BBQDGARQDKNVKC-NSHDSACASA-N 2 1 280.372 -0.213 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357932603 288121999 /nfs/dbraw/zinc/12/19/99/288121999.db2.gz QKMZOZNJYHMRAW-YJQGPUDQSA-N 2 1 253.346 -0.692 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH2+]C)CC1=O ZINC000236838312 279330460 /nfs/dbraw/zinc/33/04/60/279330460.db2.gz FPKRHJNHQXGFPT-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419980818 279331748 /nfs/dbraw/zinc/33/17/48/279331748.db2.gz RJZFNJBXEATJNW-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000352540828 279336234 /nfs/dbraw/zinc/33/62/34/279336234.db2.gz QACBLJAIWRNAKS-HNNXBMFYSA-N 2 1 292.383 -0.341 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000333358438 279346896 /nfs/dbraw/zinc/34/68/96/279346896.db2.gz WXUVAHIGOJRSGJ-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000357284424 279384909 /nfs/dbraw/zinc/38/49/09/279384909.db2.gz HUEHFRBZHHMZGU-UONOGXRCSA-N 2 1 296.415 -0.787 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000357284424 279384910 /nfs/dbraw/zinc/38/49/10/279384910.db2.gz HUEHFRBZHHMZGU-UONOGXRCSA-N 2 1 296.415 -0.787 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000195271977 279385320 /nfs/dbraw/zinc/38/53/20/279385320.db2.gz ZEFKRLJZBPITBQ-GRYCIOLGSA-N 2 1 253.346 -0.615 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000195271977 279385323 /nfs/dbraw/zinc/38/53/23/279385323.db2.gz ZEFKRLJZBPITBQ-GRYCIOLGSA-N 2 1 253.346 -0.615 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@](C)(C[NH3+])C2CC2)C1 ZINC000252656798 279385835 /nfs/dbraw/zinc/38/58/35/279385835.db2.gz VZMNKLPJMNCRSF-DGCLKSJQSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@](C)(C[NH3+])C2CC2)C1 ZINC000252656798 279385836 /nfs/dbraw/zinc/38/58/36/279385836.db2.gz VZMNKLPJMNCRSF-DGCLKSJQSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000366458834 279389309 /nfs/dbraw/zinc/38/93/09/279389309.db2.gz FGTLXZBNOHCIQK-UPJWGTAASA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000366458834 279389311 /nfs/dbraw/zinc/38/93/11/279389311.db2.gz FGTLXZBNOHCIQK-UPJWGTAASA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372912765 288131548 /nfs/dbraw/zinc/13/15/48/288131548.db2.gz QKMZOZNJYHMRAW-SASUGWTJSA-N 2 1 253.346 -0.692 20 0 CBADMP C[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)C[C@H](C)[NH2+]1 ZINC000514727413 288154785 /nfs/dbraw/zinc/15/47/85/288154785.db2.gz XCAVHDLKKXFCHR-BETUJISGSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)C[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000423761025 288164470 /nfs/dbraw/zinc/16/44/70/288164470.db2.gz KWQWQCKDAXFSQC-MJBXVCDLSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)C[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000423761025 288164472 /nfs/dbraw/zinc/16/44/72/288164472.db2.gz KWQWQCKDAXFSQC-MJBXVCDLSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000430764933 279839990 /nfs/dbraw/zinc/83/99/90/279839990.db2.gz UQECUHTTXLXUSA-ZIAGYGMSSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H]1C[NH+](CCOCC[N@@H+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000351774909 288180264 /nfs/dbraw/zinc/18/02/64/288180264.db2.gz PHAYFZWVNWIYNU-XJFOESAGSA-N 2 1 272.389 -0.372 20 0 CBADMP C[C@@H]1C[N@@H+](CCOCC[NH+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000351774909 288180266 /nfs/dbraw/zinc/18/02/66/288180266.db2.gz PHAYFZWVNWIYNU-XJFOESAGSA-N 2 1 272.389 -0.372 20 0 CBADMP C[C@@H]1C[N@H+](CCOCC[NH+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000351774909 288180268 /nfs/dbraw/zinc/18/02/68/288180268.db2.gz PHAYFZWVNWIYNU-XJFOESAGSA-N 2 1 272.389 -0.372 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419959615 280008953 /nfs/dbraw/zinc/00/89/53/280008953.db2.gz RGSUBPQHSMWFSZ-NEPJUHHUSA-N 2 1 284.404 -0.504 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419959615 280008957 /nfs/dbraw/zinc/00/89/57/280008957.db2.gz RGSUBPQHSMWFSZ-NEPJUHHUSA-N 2 1 284.404 -0.504 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419527452 280097821 /nfs/dbraw/zinc/09/78/21/280097821.db2.gz VBVCQSDMHUHJKW-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000333866428 280204965 /nfs/dbraw/zinc/20/49/65/280204965.db2.gz TUXYHNBOMXENJW-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@H+]1C[C@H](C)O ZINC000262058139 288266377 /nfs/dbraw/zinc/26/63/77/288266377.db2.gz RLQCQFFGJIJNLH-FQUUOJAGSA-N 2 1 299.415 -0.204 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000249474494 288269463 /nfs/dbraw/zinc/26/94/63/288269463.db2.gz JFZPXNLMBKWTID-XDQVBPFNSA-N 2 1 299.415 -0.333 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000249474494 288269466 /nfs/dbraw/zinc/26/94/66/288269466.db2.gz JFZPXNLMBKWTID-XDQVBPFNSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCN1CC[NH2+]CC1 ZINC000333870188 288308892 /nfs/dbraw/zinc/30/88/92/288308892.db2.gz UNIZXWZSXYSMCN-KGLIPLIRSA-N 2 1 295.431 -0.230 20 0 CBADMP CC[C@]1(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CCC[NH2+]1 ZINC000343770668 281301697 /nfs/dbraw/zinc/30/16/97/281301697.db2.gz TUQLODZGYPCLEH-IUODEOHRSA-N 2 1 296.415 -0.025 20 0 CBADMP C[C@@H]1COCC[N@@H+]1CCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000249635332 288344685 /nfs/dbraw/zinc/34/46/85/288344685.db2.gz WJPWBSCIFZOIAS-KGLIPLIRSA-N 2 1 271.405 -0.031 20 0 CBADMP C[C@@H]1COCC[N@H+]1CCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000249635332 288344686 /nfs/dbraw/zinc/34/46/86/288344686.db2.gz WJPWBSCIFZOIAS-KGLIPLIRSA-N 2 1 271.405 -0.031 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000339631553 289049524 /nfs/dbraw/zinc/04/95/24/289049524.db2.gz LLWDSJHPJRHPJW-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353186127 289302227 /nfs/dbraw/zinc/30/22/27/289302227.db2.gz QBNQXUVNQUOROP-BBBLOLIVSA-N 2 1 256.350 -0.822 20 0 CBADMP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000444351251 290076895 /nfs/dbraw/zinc/07/68/95/290076895.db2.gz JMHJJLZSJYUOAK-JSGCOSHPSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000444351251 290076896 /nfs/dbraw/zinc/07/68/96/290076896.db2.gz JMHJJLZSJYUOAK-JSGCOSHPSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000444351251 290076898 /nfs/dbraw/zinc/07/68/98/290076898.db2.gz JMHJJLZSJYUOAK-JSGCOSHPSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000444351251 290076899 /nfs/dbraw/zinc/07/68/99/290076899.db2.gz JMHJJLZSJYUOAK-JSGCOSHPSA-N 2 1 299.415 -0.379 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)[C@H]2C1 ZINC000423569799 290148143 /nfs/dbraw/zinc/14/81/43/290148143.db2.gz TVDPMYKGDJORLF-AGIUHOORSA-N 2 1 294.399 -0.511 20 0 CBADMP COC[C@]1(C(=O)N2CC[N@H+](C)C[C@@H]2C)CC[NH2+]C1 ZINC000261591593 293266985 /nfs/dbraw/zinc/26/69/85/293266985.db2.gz XTWNZIVXFRAVAA-AAEUAGOBSA-N 2 1 255.362 -0.225 20 0 CBADMP COC[C@]1(C(=O)N2CC[N@@H+](C)C[C@@H]2C)CC[NH2+]C1 ZINC000261591593 293266987 /nfs/dbraw/zinc/26/69/87/293266987.db2.gz XTWNZIVXFRAVAA-AAEUAGOBSA-N 2 1 255.362 -0.225 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(C)(C)[NH3+] ZINC000581546459 336099715 /nfs/dbraw/zinc/09/97/15/336099715.db2.gz QGQYUNHMQYVPFB-UHFFFAOYSA-N 2 1 256.394 -0.180 20 0 CBADMP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000331367807 295244330 /nfs/dbraw/zinc/24/43/30/295244330.db2.gz BQHWIDZUYWIBFL-AAEUAGOBSA-N 2 1 294.399 -0.321 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000340117769 295253354 /nfs/dbraw/zinc/25/33/54/295253354.db2.gz FLDTWYINYGUPBD-AVGNSLFASA-N 2 1 296.415 -0.183 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[NH2+]C[C@H]2C(F)F)O1 ZINC000368009910 295274614 /nfs/dbraw/zinc/27/46/14/295274614.db2.gz YFTNOBCEKXTOKW-VGMNWLOBSA-N 2 1 263.288 -0.442 20 0 CBADMP NS(=O)(=O)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261648189 295285887 /nfs/dbraw/zinc/28/58/87/295285887.db2.gz ATUZSNMSACHPDO-LLVKDONJSA-N 2 1 261.391 -0.261 20 0 CBADMP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000424199871 295302883 /nfs/dbraw/zinc/30/28/83/295302883.db2.gz QLHKUOUDARFOMX-MGPQQGTHSA-N 2 1 297.399 -0.280 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)C[NH+]1CCOCC1 ZINC000237440059 298753005 /nfs/dbraw/zinc/75/30/05/298753005.db2.gz GODJWZRXFJPBPH-NEPJUHHUSA-N 2 1 271.361 -0.941 20 0 CBADMP [NH3+]CCOCC[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000357068023 303383575 /nfs/dbraw/zinc/38/35/75/303383575.db2.gz FNWMOIKTPYYBDB-ZDUSSCGKSA-N 2 1 257.378 -0.384 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CCOC1C[NH2+]C1 ZINC000562978844 327732683 /nfs/dbraw/zinc/73/26/83/327732683.db2.gz CTCHAEKFAYYIFS-GFCCVEGCSA-N 2 1 293.371 -0.729 20 0 CBADMP C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NCC[NH+](C)C ZINC000563403866 328062889 /nfs/dbraw/zinc/06/28/89/328062889.db2.gz PMJSCKKTOXWHES-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000563457546 328067723 /nfs/dbraw/zinc/06/77/23/328067723.db2.gz LFILEQYNFVCRDR-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H](C(=O)NCC(=O)N1CC[NH+](CC)CC1)[NH+](C)C ZINC000563538251 328071731 /nfs/dbraw/zinc/07/17/31/328071731.db2.gz VBQJTXFAPYLCLI-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000563596639 328076169 /nfs/dbraw/zinc/07/61/69/328076169.db2.gz UKQUASDSTZUQON-UONOGXRCSA-N 2 1 297.447 -0.079 20 0 CBADMP CC[NH+]1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000563622160 328077898 /nfs/dbraw/zinc/07/78/98/328077898.db2.gz CSNZRAUHASNSAG-GFCCVEGCSA-N 2 1 292.387 -0.192 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000563660769 328082494 /nfs/dbraw/zinc/08/24/94/328082494.db2.gz VHCCMGFFDSEDBO-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H](C)CN1C ZINC000571209035 328093295 /nfs/dbraw/zinc/09/32/95/328093295.db2.gz HTVSZISEYMXIRP-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1CN(CCC(=O)N2CC[NH2+]CC2)[C@@H](C)C[N@@H+]1C ZINC000571209035 328093296 /nfs/dbraw/zinc/09/32/96/328093296.db2.gz HTVSZISEYMXIRP-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1CN(CCC(=O)N2CC[NH2+]CC2)[C@@H](C)C[N@H+]1C ZINC000571209035 328093297 /nfs/dbraw/zinc/09/32/97/328093297.db2.gz HTVSZISEYMXIRP-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CCO1 ZINC000571523317 328131542 /nfs/dbraw/zinc/13/15/42/328131542.db2.gz VBDXWVURXUUGBN-ZIAGYGMSSA-N 2 1 297.399 -0.184 20 0 CBADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000583490204 328304133 /nfs/dbraw/zinc/30/41/33/328304133.db2.gz DAAJNVYZNPMYNZ-PHIMTYICSA-N 2 1 282.388 -0.547 20 0 CBADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CC[C@H]3O)cn2)CC1 ZINC000572869059 328489839 /nfs/dbraw/zinc/48/98/39/328489839.db2.gz OOHAWBGFEUPUAY-CHWSQXEVSA-N 2 1 277.372 -0.159 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N(C)CCC[NH+](C)C)C1CC1 ZINC000557382064 327003524 /nfs/dbraw/zinc/00/35/24/327003524.db2.gz RWNDIWFOPDLHLE-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000576104319 327017010 /nfs/dbraw/zinc/01/70/10/327017010.db2.gz BEDAPRUEPPRPRU-ZIAGYGMSSA-N 2 1 298.431 -0.411 20 0 CBADMP [NH3+]CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000584113638 327040708 /nfs/dbraw/zinc/04/07/08/327040708.db2.gz ZUWNTYOBFFXOQO-STQMWFEESA-N 3 1 268.405 -0.085 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000584113801 327040803 /nfs/dbraw/zinc/04/08/03/327040803.db2.gz JBUOJTRBGIWCLX-RVMXOQNASA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000584181225 327060887 /nfs/dbraw/zinc/06/08/87/327060887.db2.gz RYPLNNOLDXLIME-QWHCGFSZSA-N 2 1 287.404 -0.664 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000584181225 327060888 /nfs/dbraw/zinc/06/08/88/327060888.db2.gz RYPLNNOLDXLIME-QWHCGFSZSA-N 2 1 287.404 -0.664 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000584181225 327060889 /nfs/dbraw/zinc/06/08/89/327060889.db2.gz RYPLNNOLDXLIME-QWHCGFSZSA-N 2 1 287.404 -0.664 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)CC[N@H+]1C ZINC000558207334 327078617 /nfs/dbraw/zinc/07/86/17/327078617.db2.gz BIUCICWZPKVIHH-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000569357400 327162320 /nfs/dbraw/zinc/16/23/20/327162320.db2.gz JEXUURJVWHZJQH-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP O=C(CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000569455940 327180268 /nfs/dbraw/zinc/18/02/68/327180268.db2.gz FDJHOVOXPQTLCG-AWEZNQCLSA-N 2 1 266.389 -0.506 20 0 CBADMP O=C(CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCNCC1 ZINC000569455940 327180271 /nfs/dbraw/zinc/18/02/71/327180271.db2.gz FDJHOVOXPQTLCG-AWEZNQCLSA-N 2 1 266.389 -0.506 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000569481685 327184330 /nfs/dbraw/zinc/18/43/30/327184330.db2.gz OEWGXNJTYATQPQ-CYBMUJFWSA-N 2 1 270.421 -0.062 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000566212461 327196757 /nfs/dbraw/zinc/19/67/57/327196757.db2.gz QXUMQRCGRAJQJA-RYUDHWBXSA-N 2 1 271.361 -0.798 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000566212461 327196758 /nfs/dbraw/zinc/19/67/58/327196758.db2.gz QXUMQRCGRAJQJA-RYUDHWBXSA-N 2 1 271.361 -0.798 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000566212453 327196865 /nfs/dbraw/zinc/19/68/65/327196865.db2.gz QXUMQRCGRAJQJA-NWDGAFQWSA-N 2 1 271.361 -0.798 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000566212453 327196867 /nfs/dbraw/zinc/19/68/67/327196867.db2.gz QXUMQRCGRAJQJA-NWDGAFQWSA-N 2 1 271.361 -0.798 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000564939854 327198860 /nfs/dbraw/zinc/19/88/60/327198860.db2.gz ILSWIRRTHJITQR-NWDGAFQWSA-N 2 1 271.361 -0.798 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000564939854 327198861 /nfs/dbraw/zinc/19/88/61/327198861.db2.gz ILSWIRRTHJITQR-NWDGAFQWSA-N 2 1 271.361 -0.798 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000566236543 327253941 /nfs/dbraw/zinc/25/39/41/327253941.db2.gz FTTDLRLHWXBDEB-MRBYEJRBSA-N 2 1 296.415 -0.173 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000566236541 327254002 /nfs/dbraw/zinc/25/40/02/327254002.db2.gz FTTDLRLHWXBDEB-BLFANLJRSA-N 2 1 296.415 -0.173 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000564666624 327257249 /nfs/dbraw/zinc/25/72/49/327257249.db2.gz OEFKNHKCGNPRCM-MCIONIFRSA-N 2 1 290.404 -0.697 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000564666624 327257251 /nfs/dbraw/zinc/25/72/51/327257251.db2.gz OEFKNHKCGNPRCM-MCIONIFRSA-N 2 1 290.404 -0.697 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000577634695 327278528 /nfs/dbraw/zinc/27/85/28/327278528.db2.gz ZSYKVAFNHLOUFG-ZJUUUORDSA-N 2 1 257.334 -0.665 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000577634695 327278529 /nfs/dbraw/zinc/27/85/29/327278529.db2.gz ZSYKVAFNHLOUFG-ZJUUUORDSA-N 2 1 257.334 -0.665 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H](C)N1 ZINC000564969597 327290221 /nfs/dbraw/zinc/29/02/21/327290221.db2.gz VEHYTKCJDCSYDA-FRRDWIJNSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H](C)N1 ZINC000564969597 327290223 /nfs/dbraw/zinc/29/02/23/327290223.db2.gz VEHYTKCJDCSYDA-FRRDWIJNSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000560635206 327332944 /nfs/dbraw/zinc/33/29/44/327332944.db2.gz CLOOCTQDTIOJQP-CYDGBPFRSA-N 2 1 269.389 -0.150 20 0 CBADMP CC(C)[NH2+]CCCNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000561239563 327378257 /nfs/dbraw/zinc/37/82/57/327378257.db2.gz XCNFYNKGJJNNGP-UHFFFAOYSA-N 2 1 284.404 -0.299 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)NCC[N@@H+]1CC=CCC1 ZINC000392852572 329054082 /nfs/dbraw/zinc/05/40/82/329054082.db2.gz KAACUUZENLSADV-GFCCVEGCSA-N 2 1 253.346 -0.257 20 0 CBADMP C[N@@H+](C[C@H](O)CNCC(=O)NCC1CC1)C1CC1 ZINC000393071823 329066733 /nfs/dbraw/zinc/06/67/33/329066733.db2.gz MSKSPOAKPNWFCB-GFCCVEGCSA-N 2 1 255.362 -0.443 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([NH2+]Cc2ccccn2)C1=O ZINC000582614123 329117629 /nfs/dbraw/zinc/11/76/29/329117629.db2.gz AJVQTDJTHNBVDQ-LBPRGKRZSA-N 2 1 276.340 -0.140 20 0 CBADMP CN(CCC[NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000582856388 329281232 /nfs/dbraw/zinc/28/12/32/329281232.db2.gz KIFDXRNRFVKFPE-UHFFFAOYSA-N 2 1 258.366 -0.301 20 0 CBADMP [NH3+][C@H]1C[C@@H]2CN(c3[nH+]cnc4[nH]ccc43)CCN2C1=O ZINC000583094244 329315108 /nfs/dbraw/zinc/31/51/08/329315108.db2.gz KXOIWKWZPUADOV-SCZZXKLOSA-N 2 1 272.312 -0.294 20 0 CBADMP [NH3+][C@@H]1C[C@H]2CN(c3[nH+]cnc4[nH]ccc43)CCN2C1=O ZINC000583094245 329315135 /nfs/dbraw/zinc/31/51/35/329315135.db2.gz KXOIWKWZPUADOV-WCBMZHEXSA-N 2 1 272.312 -0.294 20 0 CBADMP CC[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000583133403 329319200 /nfs/dbraw/zinc/31/92/00/329319200.db2.gz VJTLYYVVLDOSLF-GFCCVEGCSA-N 2 1 269.393 -0.763 20 0 CBADMP C[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000583198774 329358569 /nfs/dbraw/zinc/35/85/69/329358569.db2.gz GORGNFIBUXWFHO-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000583198774 329358568 /nfs/dbraw/zinc/35/85/68/329358568.db2.gz GORGNFIBUXWFHO-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1F ZINC000584469884 329493049 /nfs/dbraw/zinc/49/30/49/329493049.db2.gz BBIOTNCSLCTWKI-QWRGUYRKSA-N 2 1 272.320 -0.265 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000572242018 329960557 /nfs/dbraw/zinc/96/05/57/329960557.db2.gz VGEVKUFFFJFEIK-CMPLNLGQSA-N 2 1 259.325 -0.475 20 0 CBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000572359302 330000643 /nfs/dbraw/zinc/00/06/43/330000643.db2.gz CMPABTLNCNMNNM-MNOVXSKESA-N 2 1 287.360 -0.896 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000572359302 330000644 /nfs/dbraw/zinc/00/06/44/330000644.db2.gz CMPABTLNCNMNNM-MNOVXSKESA-N 2 1 287.360 -0.896 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C2 ZINC000575429432 335103428 /nfs/dbraw/zinc/10/34/28/335103428.db2.gz SEUOVAKFJLKCQK-UBHSHLNASA-N 2 1 292.383 -0.113 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000566235042 334637531 /nfs/dbraw/zinc/63/75/31/334637531.db2.gz PPHOPXFSYGTGCQ-RYUDHWBXSA-N 2 1 272.320 -0.265 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000575814426 335118392 /nfs/dbraw/zinc/11/83/92/335118392.db2.gz MQBCTXPILMPBHS-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000575814426 335118393 /nfs/dbraw/zinc/11/83/93/335118393.db2.gz MQBCTXPILMPBHS-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000575814426 335118394 /nfs/dbraw/zinc/11/83/94/335118394.db2.gz MQBCTXPILMPBHS-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000576004085 335140842 /nfs/dbraw/zinc/14/08/42/335140842.db2.gz MLDNBAGYXULXLG-LBPRGKRZSA-N 2 1 297.403 -0.846 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+](C)CCNC(=O)N(C)C ZINC000564344727 334148293 /nfs/dbraw/zinc/14/82/93/334148293.db2.gz VUWQLROSNZGPKI-GFCCVEGCSA-N 2 1 290.408 -0.872 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000564344727 334148294 /nfs/dbraw/zinc/14/82/94/334148294.db2.gz VUWQLROSNZGPKI-GFCCVEGCSA-N 2 1 290.408 -0.872 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000553370513 334381195 /nfs/dbraw/zinc/38/11/95/334381195.db2.gz YLZAISYYLMBHQD-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc(C)[nH+]1 ZINC000567368036 334709360 /nfs/dbraw/zinc/70/93/60/334709360.db2.gz KEFUSCSGALKYJJ-GHMZBOCLSA-N 2 1 261.329 -0.158 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000567836002 334766578 /nfs/dbraw/zinc/76/65/78/334766578.db2.gz XEIQKJZDJLVKQZ-GHMZBOCLSA-N 2 1 251.334 -0.451 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000567838853 334766723 /nfs/dbraw/zinc/76/67/23/334766723.db2.gz XEIQKJZDJLVKQZ-WDEREUQCSA-N 2 1 251.334 -0.451 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000576346769 335192515 /nfs/dbraw/zinc/19/25/15/335192515.db2.gz YWJMXNXDLBPAHY-UHFFFAOYSA-N 2 1 263.407 0.000 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576359434 335194491 /nfs/dbraw/zinc/19/44/91/335194491.db2.gz AZUGUBBFICACJQ-RWMBFGLXSA-N 2 1 294.399 -0.369 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000576458158 335206008 /nfs/dbraw/zinc/20/60/08/335206008.db2.gz TXHAXXDSMXYSEX-RYUDHWBXSA-N 2 1 264.329 -0.472 20 0 CBADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000576493940 335211358 /nfs/dbraw/zinc/21/13/58/335211358.db2.gz NSJYXIHSGOGBDQ-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP [NH3+]C1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC1 ZINC000580549813 335276890 /nfs/dbraw/zinc/27/68/90/335276890.db2.gz LHSFVCYKVWPFLS-NSHDSACASA-N 2 1 280.372 -0.709 20 0 CBADMP CC(C)[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000577389722 335347099 /nfs/dbraw/zinc/34/70/99/335347099.db2.gz NIQDJYXIHVLPNH-UONOGXRCSA-N 2 1 297.447 -0.081 20 0 CBADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000577508506 335362131 /nfs/dbraw/zinc/36/21/31/335362131.db2.gz JEMLOFHIZWDFDB-OLZOCXBDSA-N 2 1 283.420 -0.327 20 0 CBADMP C[N@@H+](CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000577509812 335362611 /nfs/dbraw/zinc/36/26/11/335362611.db2.gz UDBBQGRPVCLKCV-NWDGAFQWSA-N 2 1 295.387 -0.966 20 0 CBADMP O=C1CCCN1[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000577634114 335383510 /nfs/dbraw/zinc/38/35/10/335383510.db2.gz CXIPZYDXKBGXNZ-AWEZNQCLSA-N 2 1 280.416 -0.022 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NCC[NH+](C)C ZINC000577767696 335399415 /nfs/dbraw/zinc/39/94/15/335399415.db2.gz JEUMLMFRLALWCQ-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(=O)NCC[NH+](C)C ZINC000577767696 335399416 /nfs/dbraw/zinc/39/94/16/335399416.db2.gz JEUMLMFRLALWCQ-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H]([NH2+]C1CC1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000578510918 335643076 /nfs/dbraw/zinc/64/30/76/335643076.db2.gz CPLYSTOVVRMSCL-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H]1OCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000380600204 336003455 /nfs/dbraw/zinc/00/34/55/336003455.db2.gz ZXQWUECQIWZBHI-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC2CC2)CC1 ZINC000380604504 336004136 /nfs/dbraw/zinc/00/41/36/336004136.db2.gz FOGFWZLKLDNICT-OAHLLOKOSA-N 2 1 285.432 -0.047 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000581436368 336077297 /nfs/dbraw/zinc/07/72/97/336077297.db2.gz CSKLQJFAPILNFY-JTQLQIEISA-N 2 1 276.331 -0.523 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000581478891 336086313 /nfs/dbraw/zinc/08/63/13/336086313.db2.gz WSDKYGQYYLKPTL-NEPJUHHUSA-N 2 1 296.415 -0.156 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)CC[NH+]1CCCC1 ZINC000382468437 336091270 /nfs/dbraw/zinc/09/12/70/336091270.db2.gz AWDNTHRFLATABN-AWEZNQCLSA-N 2 1 273.421 -0.047 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000581605547 336111046 /nfs/dbraw/zinc/11/10/46/336111046.db2.gz KPKLFAVAJZMLOY-AAEUAGOBSA-N 2 1 296.415 -0.347 20 0 CBADMP CN1CC[C@@H]([N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000581608408 336111719 /nfs/dbraw/zinc/11/17/19/336111719.db2.gz CPDNKKAZLWVLGM-VXGBXAGGSA-N 2 1 267.373 -0.096 20 0 CBADMP CCOC(=O)c1c[nH+]ccc1NCC(=O)N1CC[NH2+]CC1 ZINC000581716697 336136230 /nfs/dbraw/zinc/13/62/30/336136230.db2.gz PHJOUHHPJCKRDZ-UHFFFAOYSA-N 2 1 292.339 -0.476 20 0 CBADMP C[NH2+][C@@H](C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000581894546 336162182 /nfs/dbraw/zinc/16/21/82/336162182.db2.gz WQZQUFBYUNDWSF-UWVGGRQHSA-N 2 1 256.350 -0.950 20 0 CBADMP CN1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCC1=O ZINC000386050858 336165474 /nfs/dbraw/zinc/16/54/74/336165474.db2.gz BWHYNPTUQHQMGM-JQWIXIFHSA-N 2 1 255.362 -0.348 20 0 CBADMP CN1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCC1=O ZINC000386050858 336165475 /nfs/dbraw/zinc/16/54/75/336165475.db2.gz BWHYNPTUQHQMGM-JQWIXIFHSA-N 2 1 255.362 -0.348 20 0 CBADMP CNC(=O)C(C)(C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000386145232 336167103 /nfs/dbraw/zinc/16/71/03/336167103.db2.gz OFQLLSKLOOZELV-LLVKDONJSA-N 2 1 257.378 -0.197 20 0 CBADMP CNC(=O)C(C)(C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000386145232 336167105 /nfs/dbraw/zinc/16/71/05/336167105.db2.gz OFQLLSKLOOZELV-LLVKDONJSA-N 2 1 257.378 -0.197 20 0 CBADMP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC000581998026 336187721 /nfs/dbraw/zinc/18/77/21/336187721.db2.gz PLJUPRHRPXTCTR-JKSUJKDBSA-N 2 1 298.475 -0.084 20 0 CBADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC000581998026 336187722 /nfs/dbraw/zinc/18/77/22/336187722.db2.gz PLJUPRHRPXTCTR-JKSUJKDBSA-N 2 1 298.475 -0.084 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000236881644 521682627 /nfs/dbraw/zinc/68/26/27/521682627.db2.gz PDOSILGMSZSOKV-LLVKDONJSA-N 2 1 272.418 -0.597 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000164002244 523846897 /nfs/dbraw/zinc/84/68/97/523846897.db2.gz MVXNQUGBXBDDBY-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000157875903 525252409 /nfs/dbraw/zinc/25/24/09/525252409.db2.gz IKYZRJADBFIRLE-GRYCIOLGSA-N 2 1 255.362 -0.036 20 0 CBADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000176919143 527717314 /nfs/dbraw/zinc/71/73/14/527717314.db2.gz KSXZPRZTXUDZMO-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000176919143 527717318 /nfs/dbraw/zinc/71/73/18/527717318.db2.gz KSXZPRZTXUDZMO-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C3C[NH2+]C3)CC2)C1 ZINC000378641132 527730235 /nfs/dbraw/zinc/73/02/35/527730235.db2.gz KDOPCHRUCYRRJV-CQSZACIVSA-N 2 1 296.415 -0.929 20 0 CBADMP CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)C3C[NH2+]C3)CC2)C1 ZINC000378641132 527730241 /nfs/dbraw/zinc/73/02/41/527730241.db2.gz KDOPCHRUCYRRJV-CQSZACIVSA-N 2 1 296.415 -0.929 20 0 CBADMP CC[N@@H+](CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000377525392 527898319 /nfs/dbraw/zinc/89/83/19/527898319.db2.gz PECDMRKMEZSQIS-AWEZNQCLSA-N 2 1 280.416 -0.023 20 0 CBADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000176919159 528036031 /nfs/dbraw/zinc/03/60/31/528036031.db2.gz KSXZPRZTXUDZMO-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000176919159 528036036 /nfs/dbraw/zinc/03/60/36/528036036.db2.gz KSXZPRZTXUDZMO-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP C[NH2+][C@H](C(=O)NCCC[NH+](C)C)c1cnn(C)c1 ZINC000357190190 536382292 /nfs/dbraw/zinc/38/22/92/536382292.db2.gz PLLGHLWGLIOBDY-NSHDSACASA-N 2 1 253.350 -0.252 20 0 CBADMP CC(C)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)NS(C)(=O)=O ZINC000111740924 582115441 /nfs/dbraw/zinc/11/54/41/582115441.db2.gz HKPHSZXLNOJMJN-LLVKDONJSA-N 2 1 293.433 -0.640 20 0 CBADMP CN1C(=O)C(=O)N(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1=O ZINC000129276461 582123047 /nfs/dbraw/zinc/12/30/47/582123047.db2.gz XRWPHBUPQXACTO-GHMZBOCLSA-N 2 1 294.355 -0.219 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000130265257 582123386 /nfs/dbraw/zinc/12/33/86/582123386.db2.gz AIAHYVLGIJNCRO-UHFFFAOYSA-N 2 1 266.345 -0.152 20 0 CBADMP C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1C[NH+](C)CCO1 ZINC000677919995 582135056 /nfs/dbraw/zinc/13/50/56/582135056.db2.gz NUBKCYKYQZCILV-BFHYXJOUSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)[C@H]1C[NH+](C)CCO1 ZINC000677919995 582135057 /nfs/dbraw/zinc/13/50/57/582135057.db2.gz NUBKCYKYQZCILV-BFHYXJOUSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@H](NC(=O)[C@H]1C[NH+]2CCN1CCC2)[C@H]1C[N@H+](C)CCO1 ZINC000677919995 582135058 /nfs/dbraw/zinc/13/50/58/582135058.db2.gz NUBKCYKYQZCILV-BFHYXJOUSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@H](NC(=O)[C@H]1C[NH+]2CCN1CCC2)[C@H]1C[N@@H+](C)CCO1 ZINC000677919995 582135059 /nfs/dbraw/zinc/13/50/59/582135059.db2.gz NUBKCYKYQZCILV-BFHYXJOUSA-N 2 1 296.415 -0.788 20 0 CBADMP COCCC[N@@H+](C)CCNC(=S)NCC[NH+](C)C ZINC000741506528 582270176 /nfs/dbraw/zinc/27/01/76/582270176.db2.gz HPLGSPNTGALBOQ-UHFFFAOYSA-N 2 1 276.450 -0.020 20 0 CBADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCS(N)(=O)=O)C1 ZINC000746675205 582285192 /nfs/dbraw/zinc/28/51/92/582285192.db2.gz LKDRFHLGLBUUTM-GFCCVEGCSA-N 2 1 293.433 -0.292 20 0 CBADMP CN1CC[NH+](CCCNC(=S)NCC[NH+](C)C)CC1 ZINC000747740776 582286789 /nfs/dbraw/zinc/28/67/89/582286789.db2.gz XDLILWGYLIHMGK-UHFFFAOYSA-N 2 1 287.477 -0.350 20 0 CBADMP COC[C@@](C)(CCO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000754668658 582299927 /nfs/dbraw/zinc/29/99/27/582299927.db2.gz STWGIBRONLZIAE-CHWSQXEVSA-N 2 1 260.378 -0.180 20 0 CBADMP CC[C@@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)[NH+](C)C ZINC000764386873 582323182 /nfs/dbraw/zinc/32/31/82/582323182.db2.gz KKQVNTNATKQCIF-NSHDSACASA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](CCO)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000779403375 582361099 /nfs/dbraw/zinc/36/10/99/582361099.db2.gz HACPOJSZBDWMPP-KGLIPLIRSA-N 2 1 271.405 -0.247 20 0 CBADMP CCNC(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000779647676 582362200 /nfs/dbraw/zinc/36/22/00/582362200.db2.gz ASQMQWBSBCPHPN-JTQLQIEISA-N 2 1 272.349 -0.270 20 0 CBADMP CCNC(=O)CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000779647676 582362201 /nfs/dbraw/zinc/36/22/01/582362201.db2.gz ASQMQWBSBCPHPN-JTQLQIEISA-N 2 1 272.349 -0.270 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000783919014 582373124 /nfs/dbraw/zinc/37/31/24/582373124.db2.gz WSHLJMNXNLEOMV-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@H]1CCC[NH+]1CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000783919014 582373125 /nfs/dbraw/zinc/37/31/25/582373125.db2.gz WSHLJMNXNLEOMV-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@H]1CCC[NH+]1CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000783919014 582373126 /nfs/dbraw/zinc/37/31/26/582373126.db2.gz WSHLJMNXNLEOMV-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP O=C1NC(=O)[C@@]2(CCC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)N1 ZINC000789377350 582388366 /nfs/dbraw/zinc/38/83/66/582388366.db2.gz HXGVMOUAMYMWQR-FZMZJTMJSA-N 2 1 296.371 -0.883 20 0 CBADMP O=C1NC(=O)[C@@]2(CCC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)N1 ZINC000789377350 582388367 /nfs/dbraw/zinc/38/83/67/582388367.db2.gz HXGVMOUAMYMWQR-FZMZJTMJSA-N 2 1 296.371 -0.883 20 0 CBADMP NC(=O)C1=NO[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000789560949 582388721 /nfs/dbraw/zinc/38/87/21/582388721.db2.gz NWISKIYBHJYNNZ-VWYCJHECSA-N 2 1 266.345 -0.167 20 0 CBADMP NC(=O)C1=NO[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000789560949 582388722 /nfs/dbraw/zinc/38/87/22/582388722.db2.gz NWISKIYBHJYNNZ-VWYCJHECSA-N 2 1 266.345 -0.167 20 0 CBADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1(CO)CCOCC1 ZINC000792408824 582395487 /nfs/dbraw/zinc/39/54/87/582395487.db2.gz JMZFKGSMRNBRJF-ZDUSSCGKSA-N 2 1 272.389 -0.084 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1(CO)CCOCC1 ZINC000792408824 582395488 /nfs/dbraw/zinc/39/54/88/582395488.db2.gz JMZFKGSMRNBRJF-ZDUSSCGKSA-N 2 1 272.389 -0.084 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC[S@@](C)=O ZINC000798197824 582414531 /nfs/dbraw/zinc/41/45/31/582414531.db2.gz VKHRLXAOHITBJK-QGZVFWFLSA-N 2 1 261.435 -0.066 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2cnn(C)n2)C1 ZINC000809999044 582447840 /nfs/dbraw/zinc/44/78/40/582447840.db2.gz ZMBSWNPNUJRZCR-NSHDSACASA-N 2 1 282.348 -0.077 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2cnn(C)n2)C1 ZINC000809999044 582447841 /nfs/dbraw/zinc/44/78/41/582447841.db2.gz ZMBSWNPNUJRZCR-NSHDSACASA-N 2 1 282.348 -0.077 20 0 CBADMP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC000816949649 582487012 /nfs/dbraw/zinc/48/70/12/582487012.db2.gz BBYOSTRGPGCWKC-STQMWFEESA-N 2 1 267.373 -0.129 20 0 CBADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC000816949649 582487013 /nfs/dbraw/zinc/48/70/13/582487013.db2.gz BBYOSTRGPGCWKC-STQMWFEESA-N 2 1 267.373 -0.129 20 0 CBADMP CON(C)C(=O)CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000818987194 582524308 /nfs/dbraw/zinc/52/43/08/582524308.db2.gz UTCKGWQWUYYCAN-NEPJUHHUSA-N 2 1 271.361 -0.151 20 0 CBADMP CON(C)C(=O)CC[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000818987194 582524310 /nfs/dbraw/zinc/52/43/10/582524310.db2.gz UTCKGWQWUYYCAN-NEPJUHHUSA-N 2 1 271.361 -0.151 20 0 CBADMP NC(=O)NC(=O)CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818985931 582524344 /nfs/dbraw/zinc/52/43/44/582524344.db2.gz AIBBOFICRPZSNJ-VHSXEESVSA-N 2 1 270.333 -0.976 20 0 CBADMP NC(=O)NC(=O)CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818985931 582524345 /nfs/dbraw/zinc/52/43/45/582524345.db2.gz AIBBOFICRPZSNJ-VHSXEESVSA-N 2 1 270.333 -0.976 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000822119732 582627754 /nfs/dbraw/zinc/62/77/54/582627754.db2.gz SLWYFYGBYILZLL-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000822119732 582627756 /nfs/dbraw/zinc/62/77/56/582627756.db2.gz SLWYFYGBYILZLL-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000822158969 582628396 /nfs/dbraw/zinc/62/83/96/582628396.db2.gz LGBLKMCIWMKRPP-CYBMUJFWSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000822158969 582628398 /nfs/dbraw/zinc/62/83/98/582628398.db2.gz LGBLKMCIWMKRPP-CYBMUJFWSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCN3CCC4)CC[C@H]21 ZINC000827290407 582809424 /nfs/dbraw/zinc/80/94/24/582809424.db2.gz TWYIXBDNJNLTBR-RBSFLKMASA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC[C@H]21 ZINC000827290407 582809425 /nfs/dbraw/zinc/80/94/25/582809425.db2.gz TWYIXBDNJNLTBR-RBSFLKMASA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC[C@H]21 ZINC000827290407 582809427 /nfs/dbraw/zinc/80/94/27/582809427.db2.gz TWYIXBDNJNLTBR-RBSFLKMASA-N 2 1 292.427 -0.071 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000827936147 582836369 /nfs/dbraw/zinc/83/63/69/582836369.db2.gz FPENSSYOQOXLJD-RGCMKSIDSA-N 2 1 279.384 -0.035 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)C1 ZINC000829715557 582896057 /nfs/dbraw/zinc/89/60/57/582896057.db2.gz OTKAFWIGWYMRBK-XQQFMLRXSA-N 2 1 266.389 -0.428 20 0 CBADMP CCO[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C[NH+](C)C ZINC000831737121 582999798 /nfs/dbraw/zinc/99/97/98/582999798.db2.gz CPYCBASAEAFCAE-ZIAGYGMSSA-N 2 1 298.431 -0.541 20 0 CBADMP [NH3+][C@H](CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000834536583 583130547 /nfs/dbraw/zinc/13/05/47/583130547.db2.gz IIEPKYPOMQJRFQ-CHWSQXEVSA-N 2 1 294.399 -0.463 20 0 CBADMP [NH3+][C@@H](CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000834536584 583130570 /nfs/dbraw/zinc/13/05/70/583130570.db2.gz IIEPKYPOMQJRFQ-OLZOCXBDSA-N 2 1 294.399 -0.463 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000840456000 583165073 /nfs/dbraw/zinc/16/50/73/583165073.db2.gz HXSZOZQZHAAYPG-AWEZNQCLSA-N 2 1 299.415 -0.328 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841791363 583174322 /nfs/dbraw/zinc/17/43/22/583174322.db2.gz VEMRBYRDPCIMIN-VHSXEESVSA-N 2 1 292.330 -0.257 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841791363 583174324 /nfs/dbraw/zinc/17/43/24/583174324.db2.gz VEMRBYRDPCIMIN-VHSXEESVSA-N 2 1 292.330 -0.257 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000841790826 583174591 /nfs/dbraw/zinc/17/45/91/583174591.db2.gz KSGOXHPYIKRGJG-YNEHKIRRSA-N 2 1 282.388 -0.099 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841790821 583174706 /nfs/dbraw/zinc/17/47/06/583174706.db2.gz KSGOXHPYIKRGJG-AVGNSLFASA-N 2 1 282.388 -0.099 20 0 CBADMP CS(=O)(=O)CC[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000843073218 583199843 /nfs/dbraw/zinc/19/98/43/583199843.db2.gz OMQFLVXAWHVKAT-LBPRGKRZSA-N 2 1 278.418 -0.143 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC000843266934 583205739 /nfs/dbraw/zinc/20/57/39/583205739.db2.gz QMEBGFARUMIWNZ-LBPRGKRZSA-N 2 1 284.404 -0.168 20 0 CBADMP O=C(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000843364829 583212474 /nfs/dbraw/zinc/21/24/74/583212474.db2.gz XOYNCZZDTVKFNP-UHFFFAOYSA-N 3 1 280.416 -0.116 20 0 CBADMP O=C(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)N1CCNCC1 ZINC000843364829 583212477 /nfs/dbraw/zinc/21/24/77/583212477.db2.gz XOYNCZZDTVKFNP-UHFFFAOYSA-N 2 1 280.416 -0.116 20 0 CBADMP O=C(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)N1CCNCC1 ZINC000843364829 583212479 /nfs/dbraw/zinc/21/24/79/583212479.db2.gz XOYNCZZDTVKFNP-UHFFFAOYSA-N 2 1 280.416 -0.116 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CCCCNC1=O ZINC000843358814 583212589 /nfs/dbraw/zinc/21/25/89/583212589.db2.gz RTDXQQLNMADYNJ-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP COCCS(=O)(=O)CCC[NH2+]CC1([NH3+])CCC1 ZINC000843367663 583213196 /nfs/dbraw/zinc/21/31/96/583213196.db2.gz ICOAWHAVHVMGQX-UHFFFAOYSA-N 2 1 264.391 -0.091 20 0 CBADMP CC[NH2+]CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000843460781 583221967 /nfs/dbraw/zinc/22/19/67/583221967.db2.gz DEZOAVVRIHQQPW-NSHDSACASA-N 2 1 268.361 -0.981 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000844170465 583256169 /nfs/dbraw/zinc/25/61/69/583256169.db2.gz NHACAWKMZPVHBA-ZDUSSCGKSA-N 2 1 286.351 -0.985 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844172691 583256715 /nfs/dbraw/zinc/25/67/15/583256715.db2.gz GHUAEPFDBXVEEJ-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844174875 583257371 /nfs/dbraw/zinc/25/73/71/583257371.db2.gz HBLKCPZDLDESBX-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000844179005 583257691 /nfs/dbraw/zinc/25/76/91/583257691.db2.gz CLHONJJPYASAEF-MJBXVCDLSA-N 2 1 297.399 -0.266 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844185002 583259387 /nfs/dbraw/zinc/25/93/87/583259387.db2.gz BVWMBLROPBIFQK-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP [NH3+]CCCCCC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000846221346 583355940 /nfs/dbraw/zinc/35/59/40/583355940.db2.gz XIBFAHYBMBPWRM-NSHDSACASA-N 2 1 268.361 -0.852 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000846222561 583355960 /nfs/dbraw/zinc/35/59/60/583355960.db2.gz GKOPOCJPMKLRLA-SCVCMEIPSA-N 2 1 257.334 -0.613 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000846222561 583355962 /nfs/dbraw/zinc/35/59/62/583355962.db2.gz GKOPOCJPMKLRLA-SCVCMEIPSA-N 2 1 257.334 -0.613 20 0 CBADMP [NH3+]CCN(CCO)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848605197 583451847 /nfs/dbraw/zinc/45/18/47/583451847.db2.gz KIXVFYYLJCYBGV-STQMWFEESA-N 2 1 284.404 -0.034 20 0 CBADMP C[NH+](C)CCNC(=S)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848650732 583453673 /nfs/dbraw/zinc/45/36/73/583453673.db2.gz TZWWKMPPXPUXAA-WDEREUQCSA-N 2 1 272.418 -0.827 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](O)C(F)(F)F ZINC000848985101 583464061 /nfs/dbraw/zinc/46/40/61/583464061.db2.gz JGJNUPHIBVKTRY-SECBINFHSA-N 2 1 298.309 -0.254 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])NC2CCC2)CC1 ZINC000848986387 583464659 /nfs/dbraw/zinc/46/46/59/583464659.db2.gz MCNZEIXAZMWDDH-UHFFFAOYSA-N 2 1 267.377 -0.183 20 0 CBADMP C[N@H+](CCNC(=[NH2+])NCCCN1CCOCC1)C1CC1 ZINC000848997424 583465552 /nfs/dbraw/zinc/46/55/52/583465552.db2.gz GVQPKVKVEPUFCO-UHFFFAOYSA-N 3 1 283.420 -0.083 20 0 CBADMP C[N@@H+](CCNC(=[NH2+])NCCCN1CCOCC1)C1CC1 ZINC000848997424 583465555 /nfs/dbraw/zinc/46/55/55/583465555.db2.gz GVQPKVKVEPUFCO-UHFFFAOYSA-N 2 1 283.420 -0.083 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCC[C@@H]1O ZINC000849005582 583466728 /nfs/dbraw/zinc/46/67/28/583466728.db2.gz KYPQBKWSCHLICA-OLZOCXBDSA-N 2 1 284.404 -0.016 20 0 CBADMP CC[C@H](CO)NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849016937 583468054 /nfs/dbraw/zinc/46/80/54/583468054.db2.gz SCMPBRZVRZXLDN-LLVKDONJSA-N 2 1 258.366 -0.406 20 0 CBADMP Cn1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000849014891 583468112 /nfs/dbraw/zinc/46/81/12/583468112.db2.gz NVLIIIRKNPCOEP-UHFFFAOYSA-N 2 1 280.376 -0.244 20 0 CBADMP Cn1ccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000849019239 583468488 /nfs/dbraw/zinc/46/84/88/583468488.db2.gz VJQMXQWTKZTXEM-UHFFFAOYSA-N 2 1 294.403 -0.201 20 0 CBADMP CC1(C)[C@H](O)C[C@H]1NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849020435 583468818 /nfs/dbraw/zinc/46/88/18/583468818.db2.gz LSZAINDYYLAEQU-VXGBXAGGSA-N 2 1 284.404 -0.018 20 0 CBADMP COCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CCCO ZINC000849033965 583469868 /nfs/dbraw/zinc/46/98/68/583469868.db2.gz GPXPKJTZBMEWPG-LLVKDONJSA-N 2 1 258.366 -0.406 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000851689425 583521900 /nfs/dbraw/zinc/52/19/00/583521900.db2.gz OXYUBMGHTAHWCQ-VHSXEESVSA-N 2 1 270.377 -0.561 20 0 CBADMP CC(C)[C@@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000852857314 583561688 /nfs/dbraw/zinc/56/16/88/583561688.db2.gz PDQWJUIUZTXKMQ-DGCLKSJQSA-N 2 1 298.387 -0.437 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852863731 583563290 /nfs/dbraw/zinc/56/32/90/583563290.db2.gz RNRLTIBWPOBHOG-VIFPVBQESA-N 2 1 251.290 -0.589 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852863844 583563426 /nfs/dbraw/zinc/56/34/26/583563426.db2.gz SDJJLNFLLIQOJZ-SNVBAGLBSA-N 2 1 256.350 -0.062 20 0 CBADMP [NH3+]C[C@H]1CC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)=NO1 ZINC000852865622 583563978 /nfs/dbraw/zinc/56/39/78/583563978.db2.gz JZUCHMBUROYGQY-WDEREUQCSA-N 2 1 266.345 -0.310 20 0 CBADMP CN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000852865417 583564118 /nfs/dbraw/zinc/56/41/18/583564118.db2.gz BVAVKELATLHRIE-QWRGUYRKSA-N 2 1 266.345 -0.215 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000852868817 583564707 /nfs/dbraw/zinc/56/47/07/583564707.db2.gz VKXHEEYWWGLGEI-BBBLOLIVSA-N 2 1 254.334 -0.311 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852870798 583565161 /nfs/dbraw/zinc/56/51/61/583565161.db2.gz YEIWPSDZRNOVNG-ZJUUUORDSA-N 2 1 254.334 -0.452 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852884886 583568388 /nfs/dbraw/zinc/56/83/88/583568388.db2.gz PTJLBMKANLVDQB-CKYFFXLPSA-N 2 1 268.361 -0.111 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852885470 583568753 /nfs/dbraw/zinc/56/87/53/583568753.db2.gz VJGIDZQFWWNFLH-ZYHUDNBSSA-N 2 1 268.361 -0.111 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852914575 583574157 /nfs/dbraw/zinc/57/41/57/583574157.db2.gz BVSGMPWJFRSGOR-NXEZZACHSA-N 2 1 254.334 -0.310 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000857108942 583665360 /nfs/dbraw/zinc/66/53/60/583665360.db2.gz SQJMOYUFVDCDOH-SRVKXCTJSA-N 2 1 272.393 -0.180 20 0 CBADMP C[NH+](C)C1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC000857230221 583667714 /nfs/dbraw/zinc/66/77/14/583667714.db2.gz FLGFEZGLOOWFRK-UHFFFAOYSA-N 2 1 255.362 -0.083 20 0 CBADMP NC(=O)C[N@@H+]1CCCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858357734 583692433 /nfs/dbraw/zinc/69/24/33/583692433.db2.gz KGYCNRSXODAYDJ-UHFFFAOYSA-N 2 1 264.329 -0.429 20 0 CBADMP NC(=O)C[N@H+]1CCCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858357734 583692436 /nfs/dbraw/zinc/69/24/36/583692436.db2.gz KGYCNRSXODAYDJ-UHFFFAOYSA-N 2 1 264.329 -0.429 20 0 CBADMP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861574846 583771414 /nfs/dbraw/zinc/77/14/14/583771414.db2.gz ZBTZDCKSLPNYPC-AGIUHOORSA-N 2 1 298.387 -0.863 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000861590773 583771890 /nfs/dbraw/zinc/77/18/90/583771890.db2.gz XNHARUPVZVUSJP-NWDGAFQWSA-N 2 1 272.393 -0.057 20 0 CBADMP C[C@H](CNC(=O)N(C)C[C@H](C)[NH3+])C[NH+]1CCOCC1 ZINC000861590771 583771949 /nfs/dbraw/zinc/77/19/49/583771949.db2.gz XNHARUPVZVUSJP-NEPJUHHUSA-N 2 1 272.393 -0.057 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861710321 583780099 /nfs/dbraw/zinc/78/00/99/583780099.db2.gz OJDSLFLNFVWIRW-ZIAGYGMSSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861710321 583780103 /nfs/dbraw/zinc/78/01/03/583780103.db2.gz OJDSLFLNFVWIRW-ZIAGYGMSSA-N 2 1 297.399 -0.624 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000861737165 583782462 /nfs/dbraw/zinc/78/24/62/583782462.db2.gz VYMGUXCRDVUKJG-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000861737934 583782658 /nfs/dbraw/zinc/78/26/58/583782658.db2.gz RSESAGCFDYLQOS-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000861737933 583782693 /nfs/dbraw/zinc/78/26/93/583782693.db2.gz RSESAGCFDYLQOS-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000861737935 583782700 /nfs/dbraw/zinc/78/27/00/583782700.db2.gz RSESAGCFDYLQOS-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000861737936 583782705 /nfs/dbraw/zinc/78/27/05/583782705.db2.gz RSESAGCFDYLQOS-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000861752270 583783976 /nfs/dbraw/zinc/78/39/76/583783976.db2.gz DJBAVYSBCBSIOP-NHCYSSNCSA-N 2 1 282.388 -0.609 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000861763373 583785005 /nfs/dbraw/zinc/78/50/05/583785005.db2.gz WGVFGVGOLIHSHQ-QWRGUYRKSA-N 2 1 282.388 -0.441 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000861763367 583785147 /nfs/dbraw/zinc/78/51/47/583785147.db2.gz WGVFGVGOLIHSHQ-GHMZBOCLSA-N 2 1 282.388 -0.441 20 0 CBADMP CS(=O)(=O)CCOCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000863551510 583846353 /nfs/dbraw/zinc/84/63/53/583846353.db2.gz GKCLAVVFJWNQMT-LBPRGKRZSA-N 2 1 294.417 -0.906 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)NCc1ccccn1 ZINC000863553705 583846675 /nfs/dbraw/zinc/84/66/75/583846675.db2.gz IGUDJGLGYDKVSS-UHFFFAOYSA-N 2 1 280.372 -0.134 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)NCc1ccccn1 ZINC000863553705 583846676 /nfs/dbraw/zinc/84/66/76/583846676.db2.gz IGUDJGLGYDKVSS-UHFFFAOYSA-N 2 1 280.372 -0.134 20 0 CBADMP C[N@@H+](CCOCC[NH3+])[C@H]1CCN(C2CCOCC2)C1=O ZINC000863555405 583846692 /nfs/dbraw/zinc/84/66/92/583846692.db2.gz RMNDFVBPDOVZDS-ZDUSSCGKSA-N 2 1 285.388 -0.327 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863754357 583852906 /nfs/dbraw/zinc/85/29/06/583852906.db2.gz QRFCWMZQRMTMKB-LBPRGKRZSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000863763314 583854570 /nfs/dbraw/zinc/85/45/70/583854570.db2.gz YJCDGFCFAIMZNW-AVGNSLFASA-N 2 1 296.415 -0.265 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863763858 583854784 /nfs/dbraw/zinc/85/47/84/583854784.db2.gz KSAINMVXEQAKLO-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863765704 583854972 /nfs/dbraw/zinc/85/49/72/583854972.db2.gz SHSDFKJYBXXDOP-NSHDSACASA-N 2 1 295.387 -0.154 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863767489 583855202 /nfs/dbraw/zinc/85/52/02/583855202.db2.gz QKYLSDTXRNSOQR-UPJWGTAASA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)C[NH+](C)C1CCC1 ZINC000863905563 583860565 /nfs/dbraw/zinc/86/05/65/583860565.db2.gz MULOASODMIOXAZ-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[N@H+](C)C1CCC1 ZINC000863905563 583860566 /nfs/dbraw/zinc/86/05/66/583860566.db2.gz MULOASODMIOXAZ-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC000863905563 583860567 /nfs/dbraw/zinc/86/05/67/583860567.db2.gz MULOASODMIOXAZ-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C=C\CN1CCOCC1 ZINC000865706473 583907878 /nfs/dbraw/zinc/90/78/78/583907878.db2.gz XAGPVBYTDBDHSO-NQHOJNORSA-N 2 1 296.415 -0.763 20 0 CBADMP CN1CCN(C)[C@@H](CNC(=O)/C=C\CN2CCOCC2)C1 ZINC000865706473 583907879 /nfs/dbraw/zinc/90/78/79/583907879.db2.gz XAGPVBYTDBDHSO-NQHOJNORSA-N 2 1 296.415 -0.763 20 0 CBADMP Cn1nnnc1CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000866661211 583926201 /nfs/dbraw/zinc/92/62/01/583926201.db2.gz QFIKGPYJUSCNME-DCAQKATOSA-N 2 1 250.350 -0.188 20 0 CBADMP C[N@@H+](CCc1ccc(C(N)=O)cc1)C[C@H](O)C[NH3+] ZINC000866666973 583926603 /nfs/dbraw/zinc/92/66/03/583926603.db2.gz YDWWMXGANZHHKA-GFCCVEGCSA-N 2 1 251.330 -0.421 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)C[C@H]2C1=O ZINC000866702170 583927844 /nfs/dbraw/zinc/92/78/44/583927844.db2.gz WLXFVRBMYRRPOS-SDDRHHMPSA-N 2 1 265.357 -0.077 20 0 CBADMP CC(C)NC(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709512 583928030 /nfs/dbraw/zinc/92/80/30/583928030.db2.gz RQHVJOBRGHILPU-TUAOUCFPSA-N 2 1 296.371 -0.622 20 0 CBADMP CC(C)NC(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709512 583928031 /nfs/dbraw/zinc/92/80/31/583928031.db2.gz RQHVJOBRGHILPU-TUAOUCFPSA-N 2 1 296.371 -0.622 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000866711470 583928076 /nfs/dbraw/zinc/92/80/76/583928076.db2.gz LIUCQOIXWBJLGE-YIYPIFLZSA-N 3 1 294.399 -0.147 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000866708172 583928102 /nfs/dbraw/zinc/92/81/02/583928102.db2.gz DCDWEKNLFHJSSB-ZDEQEGDKSA-N 2 1 281.356 -0.110 20 0 CBADMP COCCOCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710845 583928107 /nfs/dbraw/zinc/92/81/07/583928107.db2.gz WMIIBSJZHHVEOW-XQQFMLRXSA-N 2 1 299.371 -0.484 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000866709149 583928152 /nfs/dbraw/zinc/92/81/52/583928152.db2.gz QNOATRIRAPONGB-RFQIPJPRSA-N 3 1 294.399 -0.147 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000866709149 583928153 /nfs/dbraw/zinc/92/81/53/583928153.db2.gz QNOATRIRAPONGB-RFQIPJPRSA-N 3 1 294.399 -0.147 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712489 583928323 /nfs/dbraw/zinc/92/83/23/583928323.db2.gz UPWMMXDXUDEZIX-MMWGEVLESA-N 2 1 282.344 -0.883 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712489 583928324 /nfs/dbraw/zinc/92/83/24/583928324.db2.gz UPWMMXDXUDEZIX-MMWGEVLESA-N 2 1 282.344 -0.883 20 0 CBADMP CN1CC[C@@H]([N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866712504 583928350 /nfs/dbraw/zinc/92/83/50/583928350.db2.gz UWJVNZFGPACFFK-QCNOEVLYSA-N 2 1 294.355 -0.916 20 0 CBADMP CN1CC[C@@H]([N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866712504 583928351 /nfs/dbraw/zinc/92/83/51/583928351.db2.gz UWJVNZFGPACFFK-QCNOEVLYSA-N 2 1 294.355 -0.916 20 0 CBADMP Cn1cncc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714128 583928387 /nfs/dbraw/zinc/92/83/87/583928387.db2.gz GVJSXHKUAJUXNG-RTXFEEFZSA-N 2 1 291.355 -0.213 20 0 CBADMP Cn1cncc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714128 583928388 /nfs/dbraw/zinc/92/83/88/583928388.db2.gz GVJSXHKUAJUXNG-RTXFEEFZSA-N 2 1 291.355 -0.213 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cn1 ZINC000866714780 583928390 /nfs/dbraw/zinc/92/83/90/583928390.db2.gz XFJSXPXMQAVWNO-UPJWGTAASA-N 2 1 291.355 -0.213 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cn1 ZINC000866714780 583928391 /nfs/dbraw/zinc/92/83/91/583928391.db2.gz XFJSXPXMQAVWNO-UPJWGTAASA-N 2 1 291.355 -0.213 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC[C@H]21 ZINC000868387147 583976713 /nfs/dbraw/zinc/97/67/13/583976713.db2.gz PXWCOQAAFOBMBG-IJLUTSLNSA-N 2 1 280.372 -0.901 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC[NH2+]1 ZINC000868389231 583976851 /nfs/dbraw/zinc/97/68/51/583976851.db2.gz NZZQZHDQEQXGFM-XQQFMLRXSA-N 2 1 294.399 -0.641 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC[NH2+]1 ZINC000868389201 583976887 /nfs/dbraw/zinc/97/68/87/583976887.db2.gz NZZQZHDQEQXGFM-AGIUHOORSA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000868390783 583977063 /nfs/dbraw/zinc/97/70/63/583977063.db2.gz PXWCOQAAFOBMBG-SDDRHHMPSA-N 2 1 280.372 -0.901 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868390623 583977078 /nfs/dbraw/zinc/97/70/78/583977078.db2.gz NWIBLFYAZFOZNM-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868396188 583977232 /nfs/dbraw/zinc/97/72/32/583977232.db2.gz ILODLKNNKDVRPC-SDDRHHMPSA-N 2 1 282.388 -0.655 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCC1(C)C ZINC000868406161 583977885 /nfs/dbraw/zinc/97/78/85/583977885.db2.gz MDPQEZDDDFWJHL-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868411666 583978197 /nfs/dbraw/zinc/97/81/97/583978197.db2.gz ZRJTZFXLASSAHG-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868411669 583978318 /nfs/dbraw/zinc/97/83/18/583978318.db2.gz ZRJTZFXLASSAHG-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP O=C(/C=C/CN1CCOCC1)NCCN1CCC(O)CC1 ZINC000868758185 583986086 /nfs/dbraw/zinc/98/60/86/583986086.db2.gz NLHNULLJOYIAAY-OWOJBTEDSA-N 2 1 297.399 -0.552 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000869777556 584004077 /nfs/dbraw/zinc/00/40/77/584004077.db2.gz QITWVELIRUMFAC-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000869777556 584004079 /nfs/dbraw/zinc/00/40/79/584004079.db2.gz QITWVELIRUMFAC-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000869777556 584004080 /nfs/dbraw/zinc/00/40/80/584004080.db2.gz QITWVELIRUMFAC-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000869780819 584004373 /nfs/dbraw/zinc/00/43/73/584004373.db2.gz TYXNISDOAWUHAW-ZDUSSCGKSA-N 2 1 298.431 -0.805 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000869780819 584004374 /nfs/dbraw/zinc/00/43/74/584004374.db2.gz TYXNISDOAWUHAW-ZDUSSCGKSA-N 2 1 298.431 -0.805 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000870980634 584023793 /nfs/dbraw/zinc/02/37/93/584023793.db2.gz AAHUJWKTDVPIIU-SDDRHHMPSA-N 2 1 253.346 -0.473 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980905 584023884 /nfs/dbraw/zinc/02/38/84/584023884.db2.gz DSHGDHRCOLVZLF-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC[C@H]21 ZINC000870981752 584023962 /nfs/dbraw/zinc/02/39/62/584023962.db2.gz JWZADYYIIRYYDU-COMQUAJESA-N 2 1 279.384 -0.225 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000870981244 584023973 /nfs/dbraw/zinc/02/39/73/584023973.db2.gz GTMYURWLSKUALF-FRRDWIJNSA-N 2 1 267.373 -0.083 20 0 CBADMP O=C(CCN1CCO[C@H](C(F)F)C1)N1CCNCC1 ZINC000872146023 584047936 /nfs/dbraw/zinc/04/79/36/584047936.db2.gz CDYIBPVWEPKEEK-JTQLQIEISA-N 2 1 277.315 -0.226 20 0 CBADMP Cn1nnnc1CC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872149844 584048237 /nfs/dbraw/zinc/04/82/37/584048237.db2.gz RGUAHNWDDXOIGM-HTQZYQBOSA-N 2 1 278.282 -0.178 20 0 CBADMP Cn1nnnc1CC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872149844 584048239 /nfs/dbraw/zinc/04/82/39/584048239.db2.gz RGUAHNWDDXOIGM-HTQZYQBOSA-N 2 1 278.282 -0.178 20 0 CBADMP CC(C)(O)C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000872213450 584050351 /nfs/dbraw/zinc/05/03/51/584050351.db2.gz OPSMTAULQJZSIR-OLZOCXBDSA-N 2 1 274.405 -0.055 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876713850 584140534 /nfs/dbraw/zinc/14/05/34/584140534.db2.gz UKMHPZNRWMONCD-STQMWFEESA-N 2 1 286.420 -0.652 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000876722437 584140747 /nfs/dbraw/zinc/14/07/47/584140747.db2.gz UTVURQDXJKWJKM-BETUJISGSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876725923 584140954 /nfs/dbraw/zinc/14/09/54/584140954.db2.gz QLFPQLFGUFTLPW-NWDGAFQWSA-N 2 1 296.415 -0.314 20 0 CBADMP COC[C@@]1(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)C[NH2+]CCO1 ZINC000876723175 584140976 /nfs/dbraw/zinc/14/09/76/584140976.db2.gz ORPMLUUUWVUIDE-UKRRQHHQSA-N 2 1 299.415 -0.161 20 0 CBADMP COC[C@@]1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876726848 584141457 /nfs/dbraw/zinc/14/14/57/584141457.db2.gz ANAGZAKTVWYVQV-IUODEOHRSA-N 2 1 297.399 -0.408 20 0 CBADMP COC[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[NH2+]CCO1 ZINC000876726843 584141465 /nfs/dbraw/zinc/14/14/65/584141465.db2.gz ALBGRVUAJGCLKU-NFAWXSAZSA-N 2 1 297.399 -0.266 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000876743674 584141599 /nfs/dbraw/zinc/14/15/99/584141599.db2.gz HHHVDRZUUARRLO-COMQUAJESA-N 2 1 297.399 -0.267 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000876743676 584141700 /nfs/dbraw/zinc/14/17/00/584141700.db2.gz HHHVDRZUUARRLO-OSFYFWSMSA-N 2 1 297.399 -0.267 20 0 CBADMP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[NH2+]CCO1 ZINC000876754036 584142437 /nfs/dbraw/zinc/14/24/37/584142437.db2.gz LVRYDKNEOCHPHB-HIFRSBDPSA-N 2 1 297.399 -0.408 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)C[NH+](C)C)CC[N@H+]1C ZINC000876772700 584143689 /nfs/dbraw/zinc/14/36/89/584143689.db2.gz RAOXUJABDSDGCN-UTUOFQBUSA-N 2 1 256.394 -0.184 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876775461 584143774 /nfs/dbraw/zinc/14/37/74/584143774.db2.gz WFZOVBHYPTVZKM-RYUDHWBXSA-N 2 1 256.394 -0.325 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000876775100 584143846 /nfs/dbraw/zinc/14/38/46/584143846.db2.gz OHPQCTZGUCXBFO-ZFWWWQNUSA-N 2 1 299.415 -0.208 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876782519 584144165 /nfs/dbraw/zinc/14/41/65/584144165.db2.gz QLDYHLNCVRDLKT-ADEWGFFLSA-N 2 1 254.378 -0.526 20 0 CBADMP COC[C@]1(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876780139 584144239 /nfs/dbraw/zinc/14/42/39/584144239.db2.gz DRSTXXLHVLMMAD-HUBLWGQQSA-N 2 1 297.399 -0.267 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876784083 584144612 /nfs/dbraw/zinc/14/46/12/584144612.db2.gz WKRISQISEIZFQB-BUHQSOCUSA-N 2 1 280.416 -0.096 20 0 CBADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000876784122 584144619 /nfs/dbraw/zinc/14/46/19/584144619.db2.gz XVQYRJQPLLBCQG-TUCADOHPSA-N 2 1 280.416 -0.240 20 0 CBADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000876784120 584144676 /nfs/dbraw/zinc/14/46/76/584144676.db2.gz XVQYRJQPLLBCQG-RVFNEKRJSA-N 2 1 280.416 -0.240 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876886637 584153357 /nfs/dbraw/zinc/15/33/57/584153357.db2.gz WKVSODWJNFCXAH-NWDGAFQWSA-N 2 1 256.394 -0.326 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876972906 584159137 /nfs/dbraw/zinc/15/91/37/584159137.db2.gz SBPPDZIUCRVLPK-XQQFMLRXSA-N 2 1 284.379 -0.560 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876972904 584159193 /nfs/dbraw/zinc/15/91/93/584159193.db2.gz SBPPDZIUCRVLPK-JHJVBQTASA-N 2 1 284.379 -0.560 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)CC[C@@H]21 ZINC000877248577 584172365 /nfs/dbraw/zinc/17/23/65/584172365.db2.gz BQXAYBQIZHPFBV-OLZOCXBDSA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877250959 584172698 /nfs/dbraw/zinc/17/26/98/584172698.db2.gz UZRGNTNTUSPQKW-SDDRHHMPSA-N 2 1 254.378 -0.572 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC[C@H]21 ZINC000877251117 584172968 /nfs/dbraw/zinc/17/29/68/584172968.db2.gz YOSYHDGZOOWJQG-WRWGMCAJSA-N 2 1 253.346 -0.345 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000877251287 584172992 /nfs/dbraw/zinc/17/29/92/584172992.db2.gz LUSUKCQSFTYMDE-CMPLNLGQSA-N 2 1 268.361 -0.111 20 0 CBADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CSC[NH2+]1 ZINC000877331926 584178839 /nfs/dbraw/zinc/17/88/39/584178839.db2.gz SUIVFRTXVXYHTF-GHMZBOCLSA-N 2 1 285.413 -0.076 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000877451531 584182233 /nfs/dbraw/zinc/18/22/33/584182233.db2.gz QJRXJUWDGZOOSH-DYEKYZERSA-N 2 1 296.415 -0.219 20 0 CBADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH2+]CCO1 ZINC000877451527 584182308 /nfs/dbraw/zinc/18/23/08/584182308.db2.gz QDHVKCXCVVUIOK-SDDRHHMPSA-N 2 1 253.346 -0.330 20 0 CBADMP COC[C@]1(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)C[NH2+]CCO1 ZINC000877451451 584182463 /nfs/dbraw/zinc/18/24/63/584182463.db2.gz MLQXUMHYSUDQCY-IPYPFGDCSA-N 2 1 297.399 -0.314 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000877451594 584182671 /nfs/dbraw/zinc/18/26/71/584182671.db2.gz RTMCRSAWKQRAKN-SRVKXCTJSA-N 2 1 283.372 -0.038 20 0 CBADMP CO[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878166384 584194773 /nfs/dbraw/zinc/19/47/73/584194773.db2.gz TVRSSTSOJZUYLM-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP CO[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878166384 584194774 /nfs/dbraw/zinc/19/47/74/584194774.db2.gz TVRSSTSOJZUYLM-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000878646221 584211813 /nfs/dbraw/zinc/21/18/13/584211813.db2.gz XJHBSCSZSAGHHK-LBPRGKRZSA-N 2 1 250.350 -0.220 20 0 CBADMP Cn1nnnc1CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000878646221 584211815 /nfs/dbraw/zinc/21/18/15/584211815.db2.gz XJHBSCSZSAGHHK-LBPRGKRZSA-N 2 1 250.350 -0.220 20 0 CBADMP Cn1nnnc1CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000878646221 584211817 /nfs/dbraw/zinc/21/18/17/584211817.db2.gz XJHBSCSZSAGHHK-LBPRGKRZSA-N 2 1 250.350 -0.220 20 0 CBADMP Cn1nnnc1CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000878646221 584211820 /nfs/dbraw/zinc/21/18/20/584211820.db2.gz XJHBSCSZSAGHHK-LBPRGKRZSA-N 2 1 250.350 -0.220 20 0 CBADMP CO[C@]1(CO)CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878915585 584220329 /nfs/dbraw/zinc/22/03/29/584220329.db2.gz WYFZXTXQIAHGHC-OAHLLOKOSA-N 2 1 299.415 -0.330 20 0 CBADMP CO[C@]1(CO)CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878915585 584220332 /nfs/dbraw/zinc/22/03/32/584220332.db2.gz WYFZXTXQIAHGHC-OAHLLOKOSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H]1COCCO1 ZINC000878935267 584220950 /nfs/dbraw/zinc/22/09/50/584220950.db2.gz GUHQIXLTJWBIAP-ZDUSSCGKSA-N 2 1 285.388 -0.456 20 0 CBADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H]1COCCO1 ZINC000878935267 584220951 /nfs/dbraw/zinc/22/09/51/584220951.db2.gz GUHQIXLTJWBIAP-ZDUSSCGKSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@H+](CC(=O)NC(N)=O)CC1CC[NH+](C)CC1 ZINC000879121875 584227109 /nfs/dbraw/zinc/22/71/09/584227109.db2.gz HKTDIOLCNAMJQP-UHFFFAOYSA-N 2 1 286.376 -0.529 20 0 CBADMP CO[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)[C@](C)(CO)C1 ZINC000879261448 584230924 /nfs/dbraw/zinc/23/09/24/584230924.db2.gz KMRDAZHRJZEZAT-HIFRSBDPSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)NC(N)=O)CC[C@H]21 ZINC000879568776 584240852 /nfs/dbraw/zinc/24/08/52/584240852.db2.gz CZURLEUTUFJWSX-NXEZZACHSA-N 2 1 254.334 -0.403 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)NC(N)=O)CC[C@H]21 ZINC000879568776 584240854 /nfs/dbraw/zinc/24/08/54/584240854.db2.gz CZURLEUTUFJWSX-NXEZZACHSA-N 2 1 254.334 -0.403 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)NC(N)=O)CC[C@H]21 ZINC000879568776 584240856 /nfs/dbraw/zinc/24/08/56/584240856.db2.gz CZURLEUTUFJWSX-NXEZZACHSA-N 2 1 254.334 -0.403 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)NC(N)=O)CC[C@H]21 ZINC000879568776 584240858 /nfs/dbraw/zinc/24/08/58/584240858.db2.gz CZURLEUTUFJWSX-NXEZZACHSA-N 2 1 254.334 -0.403 20 0 CBADMP C[N@@H+]1CC[C@H]2C[NH+](CCCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000879573695 584241137 /nfs/dbraw/zinc/24/11/37/584241137.db2.gz PUIHTAZLEAJKOD-RYUDHWBXSA-N 2 1 280.372 -0.046 20 0 CBADMP C[N@H+]1CC[C@H]2C[NH+](CCCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000879573695 584241139 /nfs/dbraw/zinc/24/11/39/584241139.db2.gz PUIHTAZLEAJKOD-RYUDHWBXSA-N 2 1 280.372 -0.046 20 0 CBADMP C[NH+]1CC[C@H]2C[N@H+](CCCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000879573695 584241141 /nfs/dbraw/zinc/24/11/41/584241141.db2.gz PUIHTAZLEAJKOD-RYUDHWBXSA-N 2 1 280.372 -0.046 20 0 CBADMP C[NH+]1CC[C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000879573695 584241143 /nfs/dbraw/zinc/24/11/43/584241143.db2.gz PUIHTAZLEAJKOD-RYUDHWBXSA-N 2 1 280.372 -0.046 20 0 CBADMP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879581587 584241792 /nfs/dbraw/zinc/24/17/92/584241792.db2.gz MNYAFRBWZIICNG-DMDPSCGWSA-N 2 1 256.346 -0.064 20 0 CBADMP COC(=O)[C@](C)(O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879581587 584241793 /nfs/dbraw/zinc/24/17/93/584241793.db2.gz MNYAFRBWZIICNG-DMDPSCGWSA-N 2 1 256.346 -0.064 20 0 CBADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879581587 584241795 /nfs/dbraw/zinc/24/17/95/584241795.db2.gz MNYAFRBWZIICNG-DMDPSCGWSA-N 2 1 256.346 -0.064 20 0 CBADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879581587 584241796 /nfs/dbraw/zinc/24/17/96/584241796.db2.gz MNYAFRBWZIICNG-DMDPSCGWSA-N 2 1 256.346 -0.064 20 0 CBADMP C[N@H+]1CC[C@H]2C[NH+](CCCC(=O)NC(N)=O)CC[C@H]21 ZINC000879574009 584241833 /nfs/dbraw/zinc/24/18/33/584241833.db2.gz VQGTUMWRXQQLHL-WDEREUQCSA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH+]1CC[C@H]2C[N@H+](CCCC(=O)NC(N)=O)CC[C@H]21 ZINC000879574009 584241835 /nfs/dbraw/zinc/24/18/35/584241835.db2.gz VQGTUMWRXQQLHL-WDEREUQCSA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH+]1CC[C@H]2C[N@@H+](CCCC(=O)NC(N)=O)CC[C@H]21 ZINC000879574009 584241837 /nfs/dbraw/zinc/24/18/37/584241837.db2.gz VQGTUMWRXQQLHL-WDEREUQCSA-N 2 1 268.361 -0.013 20 0 CBADMP C[N@H+]1CC[C@H]2C[NH+](CCCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879574008 584242015 /nfs/dbraw/zinc/24/20/15/584242015.db2.gz VQGTUMWRXQQLHL-QWRGUYRKSA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH+]1CC[C@H]2C[N@H+](CCCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879574008 584242018 /nfs/dbraw/zinc/24/20/18/584242018.db2.gz VQGTUMWRXQQLHL-QWRGUYRKSA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH+]1CC[C@H]2C[N@@H+](CCCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879574008 584242019 /nfs/dbraw/zinc/24/20/19/584242019.db2.gz VQGTUMWRXQQLHL-QWRGUYRKSA-N 2 1 268.361 -0.013 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879998386 584259005 /nfs/dbraw/zinc/25/90/05/584259005.db2.gz RMHCFKVPPDIXJK-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879998386 584259007 /nfs/dbraw/zinc/25/90/07/584259007.db2.gz RMHCFKVPPDIXJK-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC000880073134 584261355 /nfs/dbraw/zinc/26/13/55/584261355.db2.gz SYKFLKFHQVJHSS-ZNMIVQPWSA-N 2 1 285.432 -0.172 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880073134 584261356 /nfs/dbraw/zinc/26/13/56/584261356.db2.gz SYKFLKFHQVJHSS-ZNMIVQPWSA-N 2 1 285.432 -0.172 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880073134 584261358 /nfs/dbraw/zinc/26/13/58/584261358.db2.gz SYKFLKFHQVJHSS-ZNMIVQPWSA-N 2 1 285.432 -0.172 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000880420659 584272594 /nfs/dbraw/zinc/27/25/94/584272594.db2.gz LONSCQTYXIGAMV-ZWNOBZJWSA-N 2 1 253.346 -0.737 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000880420659 584272595 /nfs/dbraw/zinc/27/25/95/584272595.db2.gz LONSCQTYXIGAMV-ZWNOBZJWSA-N 2 1 253.346 -0.737 20 0 CBADMP CO[C@H]1COCC[C@@H]1[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000880433669 584273676 /nfs/dbraw/zinc/27/36/76/584273676.db2.gz ZBPIKOMIEULZCD-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP CO[C@H]1COCC[C@@H]1[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000880433669 584273679 /nfs/dbraw/zinc/27/36/79/584273679.db2.gz ZBPIKOMIEULZCD-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000882488583 584319101 /nfs/dbraw/zinc/31/91/01/584319101.db2.gz GQIQJOCMBWGRBV-OLZOCXBDSA-N 2 1 266.389 -0.413 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000882488583 584319103 /nfs/dbraw/zinc/31/91/03/584319103.db2.gz GQIQJOCMBWGRBV-OLZOCXBDSA-N 2 1 266.389 -0.413 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000882488583 584319105 /nfs/dbraw/zinc/31/91/05/584319105.db2.gz GQIQJOCMBWGRBV-OLZOCXBDSA-N 2 1 266.389 -0.413 20 0 CBADMP COC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CCCOC1 ZINC000883187051 584338889 /nfs/dbraw/zinc/33/88/89/584338889.db2.gz FEBUZYGRIWHBQZ-AVGNSLFASA-N 2 1 260.378 -0.060 20 0 CBADMP COC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H]1CCCOC1 ZINC000883187052 584338926 /nfs/dbraw/zinc/33/89/26/584338926.db2.gz FEBUZYGRIWHBQZ-UPJWGTAASA-N 2 1 260.378 -0.060 20 0 CBADMP COC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1CCCOC1 ZINC000883187050 584338968 /nfs/dbraw/zinc/33/89/68/584338968.db2.gz FEBUZYGRIWHBQZ-AGIUHOORSA-N 2 1 260.378 -0.060 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000883385210 584340810 /nfs/dbraw/zinc/34/08/10/584340810.db2.gz HKVGQAHLHJASKJ-CHWSQXEVSA-N 2 1 283.420 -0.374 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000883385210 584340812 /nfs/dbraw/zinc/34/08/12/584340812.db2.gz HKVGQAHLHJASKJ-CHWSQXEVSA-N 2 1 283.420 -0.374 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000883385210 584340813 /nfs/dbraw/zinc/34/08/13/584340813.db2.gz HKVGQAHLHJASKJ-CHWSQXEVSA-N 2 1 283.420 -0.374 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000883642326 584345743 /nfs/dbraw/zinc/34/57/43/584345743.db2.gz IXAGJDANTJWYGE-SNVBAGLBSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000883642326 584345744 /nfs/dbraw/zinc/34/57/44/584345744.db2.gz IXAGJDANTJWYGE-SNVBAGLBSA-N 2 1 270.377 -0.655 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000884182728 584364339 /nfs/dbraw/zinc/36/43/39/584364339.db2.gz RFSJKQRSLLOJAA-SRVKXCTJSA-N 2 1 287.404 -0.036 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000884213163 584367845 /nfs/dbraw/zinc/36/78/45/584367845.db2.gz UXZBEYMQQDAZKQ-RYUDHWBXSA-N 2 1 255.362 -0.049 20 0 CBADMP COCCC[N@H+](C)CCNC(=O)c1ncoc1C[NH3+] ZINC000884226331 584368687 /nfs/dbraw/zinc/36/86/87/584368687.db2.gz PWUVVNBVMCZHKG-UHFFFAOYSA-N 2 1 270.333 -0.169 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)c1ncoc1C[NH3+] ZINC000884226331 584368688 /nfs/dbraw/zinc/36/86/88/584368688.db2.gz PWUVVNBVMCZHKG-UHFFFAOYSA-N 2 1 270.333 -0.169 20 0 CBADMP [NH3+][C@H](CC1CC1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000884252293 584370459 /nfs/dbraw/zinc/37/04/59/584370459.db2.gz GMENPGQVWXHANF-QWHCGFSZSA-N 2 1 294.399 -0.463 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000884316175 584373596 /nfs/dbraw/zinc/37/35/96/584373596.db2.gz LOUMVFYLQIESON-SRVKXCTJSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000884358194 584376123 /nfs/dbraw/zinc/37/61/23/584376123.db2.gz MEHBJATUVKTVAY-HBNTYKKESA-N 2 1 255.362 -0.051 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000884358194 584376126 /nfs/dbraw/zinc/37/61/26/584376126.db2.gz MEHBJATUVKTVAY-HBNTYKKESA-N 2 1 255.362 -0.051 20 0 CBADMP COCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389992 584378336 /nfs/dbraw/zinc/37/83/36/584378336.db2.gz LJMRNSVMEONFDG-RVMXOQNASA-N 2 1 287.404 -0.036 20 0 CBADMP COCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389992 584378337 /nfs/dbraw/zinc/37/83/37/584378337.db2.gz LJMRNSVMEONFDG-RVMXOQNASA-N 2 1 287.404 -0.036 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884555053 584387802 /nfs/dbraw/zinc/38/78/02/584387802.db2.gz JWDJVUVABAXPJR-JQWIXIFHSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000884554385 584387837 /nfs/dbraw/zinc/38/78/37/584387837.db2.gz SGKDNFLTVJMFTJ-WDEREUQCSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884555055 584387867 /nfs/dbraw/zinc/38/78/67/584387867.db2.gz JWDJVUVABAXPJR-ZYHUDNBSSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884554374 584387891 /nfs/dbraw/zinc/38/78/91/584387891.db2.gz RYJLYVWCCRENMC-XZUYRWCXSA-N 2 1 294.399 -0.467 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])[N@@H+](C)C1CC1 ZINC000884618261 584391104 /nfs/dbraw/zinc/39/11/04/584391104.db2.gz ZMODKRUYYMCTSI-SNVBAGLBSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+](C)C1CC1 ZINC000884617817 584391265 /nfs/dbraw/zinc/39/12/65/584391265.db2.gz SRDXUPPZTXEFSU-UTUOFQBUSA-N 2 1 294.399 -0.452 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884626890 584391621 /nfs/dbraw/zinc/39/16/21/584391621.db2.gz YNKLDJFLNVMEBF-JHJVBQTASA-N 2 1 294.399 -0.321 20 0 CBADMP CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884626855 584391678 /nfs/dbraw/zinc/39/16/78/584391678.db2.gz XIJUPJJOLVKGPO-NEPJUHHUSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1=CC[N@@H+](C)CC1 ZINC000884623801 584391763 /nfs/dbraw/zinc/39/17/63/584391763.db2.gz PACYOCKNHNFHIT-WCQYABFASA-N 2 1 294.399 -0.297 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884659283 584393195 /nfs/dbraw/zinc/39/31/95/584393195.db2.gz NICYBXRLVNHSGP-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000884670273 584394048 /nfs/dbraw/zinc/39/40/48/584394048.db2.gz UJIWPUCHGMWWNV-UPJWGTAASA-N 2 1 294.399 -0.321 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884676515 584394915 /nfs/dbraw/zinc/39/49/15/584394915.db2.gz PAGYAWCLNKHLNA-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000884680978 584395652 /nfs/dbraw/zinc/39/56/52/584395652.db2.gz IBNNKIWBPGAZSG-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000884680978 584395655 /nfs/dbraw/zinc/39/56/55/584395655.db2.gz IBNNKIWBPGAZSG-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000884684821 584395887 /nfs/dbraw/zinc/39/58/87/584395887.db2.gz PXJFTLGBNUHQHT-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000884686306 584396104 /nfs/dbraw/zinc/39/61/04/584396104.db2.gz DVTDCJIMKCRXRL-UHFFFAOYSA-N 2 1 270.377 -0.735 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1(C)C ZINC000884686031 584396132 /nfs/dbraw/zinc/39/61/32/584396132.db2.gz WXDXTQOBOXKSRJ-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1(C)C ZINC000884686031 584396133 /nfs/dbraw/zinc/39/61/33/584396133.db2.gz WXDXTQOBOXKSRJ-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC[C@H]21 ZINC000884687946 584396600 /nfs/dbraw/zinc/39/66/00/584396600.db2.gz NWEJECDKXDLMAR-JHJVBQTASA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000884692068 584397526 /nfs/dbraw/zinc/39/75/26/584397526.db2.gz FDOKXZAAQMHGIM-XQQFMLRXSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884704686 584399197 /nfs/dbraw/zinc/39/91/97/584399197.db2.gz PFJVQKYSFISWNM-GMTAPVOTSA-N 2 1 268.361 -0.998 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1(C)C ZINC000884706428 584399518 /nfs/dbraw/zinc/39/95/18/584399518.db2.gz CFTSLEYIDXCMCX-LLVKDONJSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1(C)C ZINC000884706428 584399520 /nfs/dbraw/zinc/39/95/20/584399520.db2.gz CFTSLEYIDXCMCX-LLVKDONJSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC[C@H]21 ZINC000884706676 584399545 /nfs/dbraw/zinc/39/95/45/584399545.db2.gz KQMHIJNHBAGJEC-FRRDWIJNSA-N 2 1 294.399 -0.608 20 0 CBADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884716956 584400069 /nfs/dbraw/zinc/40/00/69/584400069.db2.gz OAPUENGPPIYPJG-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884716956 584400072 /nfs/dbraw/zinc/40/00/72/584400072.db2.gz OAPUENGPPIYPJG-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC[NH2+]1 ZINC000884718488 584400293 /nfs/dbraw/zinc/40/02/93/584400293.db2.gz GMJUYDQSEWKUQR-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC[NH2+]1 ZINC000884718488 584400295 /nfs/dbraw/zinc/40/02/95/584400295.db2.gz GMJUYDQSEWKUQR-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884729661 584401243 /nfs/dbraw/zinc/40/12/43/584401243.db2.gz SSPYNLUMSOPGQS-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884729661 584401244 /nfs/dbraw/zinc/40/12/44/584401244.db2.gz SSPYNLUMSOPGQS-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000884779415 584402237 /nfs/dbraw/zinc/40/22/37/584402237.db2.gz WYXAWPXKWCIXBD-SDDRHHMPSA-N 2 1 280.372 -0.983 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884824063 584403915 /nfs/dbraw/zinc/40/39/15/584403915.db2.gz PPSKZBQGEFPFEI-UMSGYPCISA-N 2 1 294.399 -0.594 20 0 CBADMP C[N@H+](CCO)CCNc1cc[nH+]c(N2CCOCC2)n1 ZINC000884825383 584404283 /nfs/dbraw/zinc/40/42/83/584404283.db2.gz UBWXYQJMEIRMPE-UHFFFAOYSA-N 2 1 281.360 -0.351 20 0 CBADMP C[N@@H+](CCO)CCNc1cc[nH+]c(N2CCOCC2)n1 ZINC000884825383 584404286 /nfs/dbraw/zinc/40/42/86/584404286.db2.gz UBWXYQJMEIRMPE-UHFFFAOYSA-N 2 1 281.360 -0.351 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000886571703 584443024 /nfs/dbraw/zinc/44/30/24/584443024.db2.gz FIAPLIKCTPBGDD-YUTCNCBUSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+](C)CCn1ccc(NC(=O)NCC[N@@H+](C)CCO)n1 ZINC000887828895 584474835 /nfs/dbraw/zinc/47/48/35/584474835.db2.gz DXFUJFMLLAQCIV-UHFFFAOYSA-N 2 1 298.391 -0.510 20 0 CBADMP 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 584477069 /nfs/dbraw/zinc/47/70/69/584477069.db2.gz LXAZXOOBFCIXST-RJZRQDKASA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@@H]2CN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)C[C@]2(C)C1 ZINC000887923058 584477072 /nfs/dbraw/zinc/47/70/72/584477072.db2.gz LXAZXOOBFCIXST-RJZRQDKASA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@@H]2CN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)C[C@]2(C)C1 ZINC000887923058 584477075 /nfs/dbraw/zinc/47/70/75/584477075.db2.gz LXAZXOOBFCIXST-RJZRQDKASA-N 2 1 281.400 -0.148 20 0 CBADMP CN1CCN(C(=O)Cn2ccnc2)CC[N@@H+](C)CC1 ZINC000888983436 584510969 /nfs/dbraw/zinc/51/09/69/584510969.db2.gz BLMKMGDPMKKAEZ-UHFFFAOYSA-N 2 1 265.361 -0.411 20 0 CBADMP CN1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+](C)CC1 ZINC000888983760 584511368 /nfs/dbraw/zinc/51/13/68/584511368.db2.gz OVIUUOAATPAGAY-CYBMUJFWSA-N 2 1 268.405 -0.356 20 0 CBADMP CN1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+](C)CC1 ZINC000888983760 584511369 /nfs/dbraw/zinc/51/13/69/584511369.db2.gz OVIUUOAATPAGAY-CYBMUJFWSA-N 2 1 268.405 -0.356 20 0 CBADMP CN1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+](C)CC1 ZINC000888983760 584511371 /nfs/dbraw/zinc/51/13/71/584511371.db2.gz OVIUUOAATPAGAY-CYBMUJFWSA-N 2 1 268.405 -0.356 20 0 CBADMP C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)[NH+](C)C ZINC000889744157 584534604 /nfs/dbraw/zinc/53/46/04/584534604.db2.gz KPDBETSABZAPMX-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891492193 584582448 /nfs/dbraw/zinc/58/24/48/584582448.db2.gz GJZMZZYRQFHRSY-GXTWGEPZSA-N 2 1 284.404 -0.185 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891492073 584582498 /nfs/dbraw/zinc/58/24/98/584582498.db2.gz DOMPQSMIZXFWSQ-PHIMTYICSA-N 2 1 258.366 -0.399 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000891514650 584583356 /nfs/dbraw/zinc/58/33/56/584583356.db2.gz WDVKOUHNKADCON-AGIUHOORSA-N 2 1 282.388 -0.018 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000891514717 584583387 /nfs/dbraw/zinc/58/33/87/584583387.db2.gz YEBXPKLSAJFCBO-MROQNXINSA-N 2 1 282.388 -0.019 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891536739 584584301 /nfs/dbraw/zinc/58/43/01/584584301.db2.gz GTHGECNTHRXEBL-XQQFMLRXSA-N 2 1 282.388 -0.147 20 0 CBADMP CN1CCN(C(=O)NC2CC[NH+](C)CC2)CC[N@@H+](C)CC1 ZINC000891522699 584584383 /nfs/dbraw/zinc/58/43/83/584584383.db2.gz POMOINKTBAQKFV-UHFFFAOYSA-N 2 1 297.447 -0.031 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891539443 584584886 /nfs/dbraw/zinc/58/48/86/584584886.db2.gz ARPQQDPCBZYARR-IPYPFGDCSA-N 2 1 295.431 -0.184 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000891575064 584586503 /nfs/dbraw/zinc/58/65/03/584586503.db2.gz DFCBQLHOFUVMQB-SRVKXCTJSA-N 2 1 270.377 -0.256 20 0 CBADMP C[C@@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000891583104 584587144 /nfs/dbraw/zinc/58/71/44/584587144.db2.gz KEOBQQOAFZVXLA-AVGNSLFASA-N 2 1 284.404 -0.009 20 0 CBADMP C[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000891604220 584587756 /nfs/dbraw/zinc/58/77/56/584587756.db2.gz WLGWMKRLMKCOPU-MCIONIFRSA-N 2 1 297.447 -0.094 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000892004244 584598615 /nfs/dbraw/zinc/59/86/15/584598615.db2.gz CDTSUDFYXACZSO-NEPJUHHUSA-N 2 1 284.404 -0.117 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000892024128 584599407 /nfs/dbraw/zinc/59/94/07/584599407.db2.gz OCMDUPBAIJJFDD-NWDGAFQWSA-N 2 1 284.404 -0.132 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000892049144 584601208 /nfs/dbraw/zinc/60/12/08/584601208.db2.gz SCWNDDIGYDWVIJ-RYUDHWBXSA-N 2 1 284.404 -0.132 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)NCC3C[NH2+]C3)CC[C@H]21 ZINC000892047697 584601247 /nfs/dbraw/zinc/60/12/47/584601247.db2.gz ARBFZRLTQNJZED-NWDGAFQWSA-N 2 1 252.362 -0.059 20 0 CBADMP C[N@H+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1(C)C ZINC000892184085 584608418 /nfs/dbraw/zinc/60/84/18/584608418.db2.gz OTNTYDHFMWKVEN-NSHDSACASA-N 2 1 270.377 -0.290 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3COCC[NH2+]3)CC[C@@H]21 ZINC000892288996 584612833 /nfs/dbraw/zinc/61/28/33/584612833.db2.gz IMBLIFYODRYUTE-UPJWGTAASA-N 2 1 282.388 -0.290 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000892553606 584618563 /nfs/dbraw/zinc/61/85/63/584618563.db2.gz PWIRSMWGCQYAPT-QNWHQSFQSA-N 2 1 284.404 -0.180 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000892571806 584619520 /nfs/dbraw/zinc/61/95/20/584619520.db2.gz BTGYBMGEEDCBJI-UHFFFAOYSA-N 2 1 295.387 -0.053 20 0 CBADMP C[NH+](C)CCOCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000894366651 584656829 /nfs/dbraw/zinc/65/68/29/584656829.db2.gz MVQCWXXZNLCBRK-STQMWFEESA-N 2 1 284.404 -0.090 20 0 CBADMP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1(F)F ZINC000894469005 584658496 /nfs/dbraw/zinc/65/84/96/584658496.db2.gz HKCCTGINYBJTSP-QXEWZRGKSA-N 2 1 278.299 -0.303 20 0 CBADMP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1(F)F ZINC000894469005 584658498 /nfs/dbraw/zinc/65/84/98/584658498.db2.gz HKCCTGINYBJTSP-QXEWZRGKSA-N 2 1 278.299 -0.303 20 0 CBADMP COC(=O)[C@@]1(O)CC[N@H+](Cc2cnc3n2CCC3)C1 ZINC000895701695 584685530 /nfs/dbraw/zinc/68/55/30/584685530.db2.gz CEBDOYQJJXKIAA-CYBMUJFWSA-N 2 1 265.313 -0.061 20 0 CBADMP COC(=O)[C@@]1(O)CC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000895701695 584685531 /nfs/dbraw/zinc/68/55/31/584685531.db2.gz CEBDOYQJJXKIAA-CYBMUJFWSA-N 2 1 265.313 -0.061 20 0 CBADMP COC(=O)[C@@]1(O)CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000896035253 584691133 /nfs/dbraw/zinc/69/11/33/584691133.db2.gz QUNGTBMALIMQOX-CYBMUJFWSA-N 2 1 256.346 -0.062 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000896260380 584694906 /nfs/dbraw/zinc/69/49/06/584694906.db2.gz YUPXYEUXLUORAQ-ZIAGYGMSSA-N 2 1 297.399 -0.456 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896324581 584695661 /nfs/dbraw/zinc/69/56/61/584695661.db2.gz FSMCSZIVKSLMDI-ZDUSSCGKSA-N 2 1 299.440 -0.128 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+](C)CCN1C ZINC000896529262 584700626 /nfs/dbraw/zinc/70/06/26/584700626.db2.gz AGLUWHSHXFXRST-JHJVBQTASA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+](C)CCN1C ZINC000896529262 584700627 /nfs/dbraw/zinc/70/06/27/584700627.db2.gz AGLUWHSHXFXRST-JHJVBQTASA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@@H]1C[NH+](C)CCN1C ZINC000896529266 584700777 /nfs/dbraw/zinc/70/07/77/584700777.db2.gz AGLUWHSHXFXRST-XQQFMLRXSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1C)[C@@H]1C[N@H+](C)CCN1C ZINC000896529266 584700778 /nfs/dbraw/zinc/70/07/78/584700778.db2.gz AGLUWHSHXFXRST-XQQFMLRXSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000897446650 584716640 /nfs/dbraw/zinc/71/66/40/584716640.db2.gz XKQWRCQWCSQIFF-TZMCWYRMSA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000897446650 584716642 /nfs/dbraw/zinc/71/66/42/584716642.db2.gz XKQWRCQWCSQIFF-TZMCWYRMSA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000897446650 584716644 /nfs/dbraw/zinc/71/66/44/584716644.db2.gz XKQWRCQWCSQIFF-TZMCWYRMSA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000897514625 584719211 /nfs/dbraw/zinc/71/92/11/584719211.db2.gz VKLMYRAMDVLYJB-GXTWGEPZSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000897514625 584719213 /nfs/dbraw/zinc/71/92/13/584719213.db2.gz VKLMYRAMDVLYJB-GXTWGEPZSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@H]1CCC[NH+]1CCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000897514625 584719214 /nfs/dbraw/zinc/71/92/14/584719214.db2.gz VKLMYRAMDVLYJB-GXTWGEPZSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@H]1CCC[NH+]1CCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000897514625 584719215 /nfs/dbraw/zinc/71/92/15/584719215.db2.gz VKLMYRAMDVLYJB-GXTWGEPZSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@@H]1CCC[NH+]1CCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000897514384 584719242 /nfs/dbraw/zinc/71/92/42/584719242.db2.gz PIBXXCMOPOGHAX-HZSPNIEDSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@@H]1CCC[NH+]1CCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000897514384 584719243 /nfs/dbraw/zinc/71/92/43/584719243.db2.gz PIBXXCMOPOGHAX-HZSPNIEDSA-N 2 1 296.415 -0.069 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000897649259 584721914 /nfs/dbraw/zinc/72/19/14/584721914.db2.gz QBXDCALGFHATHE-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000897649259 584721916 /nfs/dbraw/zinc/72/19/16/584721916.db2.gz QBXDCALGFHATHE-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000897649259 584721918 /nfs/dbraw/zinc/72/19/18/584721918.db2.gz QBXDCALGFHATHE-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000897649259 584721919 /nfs/dbraw/zinc/72/19/19/584721919.db2.gz QBXDCALGFHATHE-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CCO)CC[N@H+]1C ZINC000899737755 584777988 /nfs/dbraw/zinc/77/79/88/584777988.db2.gz NQTRDVKHNIPZBS-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[N@H+](C)CCO)CC[NH+]1C ZINC000899737755 584777990 /nfs/dbraw/zinc/77/79/90/584777990.db2.gz NQTRDVKHNIPZBS-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[N@@H+](C)CCO)CC[NH+]1C ZINC000899737755 584777992 /nfs/dbraw/zinc/77/79/92/584777992.db2.gz NQTRDVKHNIPZBS-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP CN1CCC[C@@H]1c1cc(C(=O)NCC[N@@H+](C)CCO)[nH]n1 ZINC000899740348 584778915 /nfs/dbraw/zinc/77/89/15/584778915.db2.gz ISTIJVZVCFXUHI-CYBMUJFWSA-N 2 1 295.387 -0.170 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000899740239 584779158 /nfs/dbraw/zinc/77/91/58/584779158.db2.gz HSMJNABLBYCDCQ-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](CCO)CCNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000899740239 584779159 /nfs/dbraw/zinc/77/91/59/584779159.db2.gz HSMJNABLBYCDCQ-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](CCO)CCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000899740239 584779160 /nfs/dbraw/zinc/77/91/60/584779160.db2.gz HSMJNABLBYCDCQ-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000899903893 584783602 /nfs/dbraw/zinc/78/36/02/584783602.db2.gz BOXZBTXFUOHFPZ-CYBMUJFWSA-N 2 1 255.362 -0.393 20 0 CBADMP C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000899903893 584783604 /nfs/dbraw/zinc/78/36/04/584783604.db2.gz BOXZBTXFUOHFPZ-CYBMUJFWSA-N 2 1 255.362 -0.393 20 0 CBADMP C[NH+](C)C(C)(C)CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000899963067 584786972 /nfs/dbraw/zinc/78/69/72/584786972.db2.gz BCBZWMFATIEYAB-ZWNOBZJWSA-N 2 1 257.378 -0.102 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](C)CC1 ZINC000900001338 584788255 /nfs/dbraw/zinc/78/82/55/584788255.db2.gz CTHPGEHLANVDEC-YPMHNXCESA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCCC1 ZINC000900010763 584788806 /nfs/dbraw/zinc/78/88/06/584788806.db2.gz BWPAECDJTJACAR-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCCC1 ZINC000900010763 584788807 /nfs/dbraw/zinc/78/88/07/584788807.db2.gz BWPAECDJTJACAR-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[NH+](C)C ZINC000900164148 584793698 /nfs/dbraw/zinc/79/36/98/584793698.db2.gz WXASEZSGHKHCMS-AAEUAGOBSA-N 2 1 257.378 -0.101 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000900192639 584794868 /nfs/dbraw/zinc/79/48/68/584794868.db2.gz UGWLLNJHJKQGPT-JSGCOSHPSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900192639 584794871 /nfs/dbraw/zinc/79/48/71/584794871.db2.gz UGWLLNJHJKQGPT-JSGCOSHPSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900192639 584794873 /nfs/dbraw/zinc/79/48/73/584794873.db2.gz UGWLLNJHJKQGPT-JSGCOSHPSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@@H+](CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C1CC1 ZINC000900367881 584800605 /nfs/dbraw/zinc/80/06/05/584800605.db2.gz XPIFSPCPLQDFSU-AAEUAGOBSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+](CCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)C1CC1 ZINC000900367881 584800607 /nfs/dbraw/zinc/80/06/07/584800607.db2.gz XPIFSPCPLQDFSU-AAEUAGOBSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+](CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C1CC1 ZINC000900367881 584800609 /nfs/dbraw/zinc/80/06/09/584800609.db2.gz XPIFSPCPLQDFSU-AAEUAGOBSA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000900441821 584804318 /nfs/dbraw/zinc/80/43/18/584804318.db2.gz ODFQNKFLNZIEOU-SFDCQRBFSA-N 2 1 297.399 -0.579 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000900441821 584804320 /nfs/dbraw/zinc/80/43/20/584804320.db2.gz ODFQNKFLNZIEOU-SFDCQRBFSA-N 2 1 297.399 -0.579 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000900441821 584804322 /nfs/dbraw/zinc/80/43/22/584804322.db2.gz ODFQNKFLNZIEOU-SFDCQRBFSA-N 2 1 297.399 -0.579 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900526061 584810240 /nfs/dbraw/zinc/81/02/40/584810240.db2.gz SFVCVUOFDKPKHD-BZPMIXESSA-N 2 1 269.389 -0.006 20 0 CBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000900578830 584813183 /nfs/dbraw/zinc/81/31/83/584813183.db2.gz OCJRTMPXHFGQCC-VNHYZAJKSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000900578830 584813185 /nfs/dbraw/zinc/81/31/85/584813185.db2.gz OCJRTMPXHFGQCC-VNHYZAJKSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900578830 584813187 /nfs/dbraw/zinc/81/31/87/584813187.db2.gz OCJRTMPXHFGQCC-VNHYZAJKSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900578830 584813188 /nfs/dbraw/zinc/81/31/88/584813188.db2.gz OCJRTMPXHFGQCC-VNHYZAJKSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900602788 584815343 /nfs/dbraw/zinc/81/53/43/584815343.db2.gz KFSRWPKGXSKGDW-ZFWWWQNUSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900602788 584815345 /nfs/dbraw/zinc/81/53/45/584815345.db2.gz KFSRWPKGXSKGDW-ZFWWWQNUSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900602784 584815364 /nfs/dbraw/zinc/81/53/64/584815364.db2.gz KFSRWPKGXSKGDW-UKRRQHHQSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900602784 584815366 /nfs/dbraw/zinc/81/53/66/584815366.db2.gz KFSRWPKGXSKGDW-UKRRQHHQSA-N 2 1 299.415 -0.642 20 0 CBADMP C[NH+](C)C1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900631624 584817940 /nfs/dbraw/zinc/81/79/40/584817940.db2.gz AXCUOVKUMAGYKR-OCCSQVGLSA-N 2 1 269.389 -0.006 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000900659376 584819485 /nfs/dbraw/zinc/81/94/85/584819485.db2.gz MTIYHJRGDRZFGF-DZGCQCFKSA-N 2 1 298.431 -0.805 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900659376 584819487 /nfs/dbraw/zinc/81/94/87/584819487.db2.gz MTIYHJRGDRZFGF-DZGCQCFKSA-N 2 1 298.431 -0.805 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900659376 584819488 /nfs/dbraw/zinc/81/94/88/584819488.db2.gz MTIYHJRGDRZFGF-DZGCQCFKSA-N 2 1 298.431 -0.805 20 0 CBADMP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)N1CC[NH+](C)CC1 ZINC000900696252 584822857 /nfs/dbraw/zinc/82/28/57/584822857.db2.gz UHXGFWCANUCRQS-NFAWXSAZSA-N 2 1 298.431 -0.806 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000900698535 584822886 /nfs/dbraw/zinc/82/28/86/584822886.db2.gz HJTGFUOHKYGCBJ-YPMHNXCESA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900698535 584822888 /nfs/dbraw/zinc/82/28/88/584822888.db2.gz HJTGFUOHKYGCBJ-YPMHNXCESA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900698535 584822890 /nfs/dbraw/zinc/82/28/90/584822890.db2.gz HJTGFUOHKYGCBJ-YPMHNXCESA-N 2 1 257.378 -0.102 20 0 CBADMP CC[N@@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900734945 584825019 /nfs/dbraw/zinc/82/50/19/584825019.db2.gz IZAWPSUDHJOEHN-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP CC[N@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900734945 584825021 /nfs/dbraw/zinc/82/50/21/584825021.db2.gz IZAWPSUDHJOEHN-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900812007 584828370 /nfs/dbraw/zinc/82/83/70/584828370.db2.gz QLMNFFWWMRCTNS-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP CN(C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C)[C@H]1CCC[N@@H+](C)C1 ZINC000900833387 584829727 /nfs/dbraw/zinc/82/97/27/584829727.db2.gz WBVMLGAYHORAJX-SGMGOOAPSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)[C@H]1CCC[NH+](C)C1 ZINC000900833387 584829728 /nfs/dbraw/zinc/82/97/28/584829728.db2.gz WBVMLGAYHORAJX-SGMGOOAPSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)[C@H]1CCC[NH+](C)C1 ZINC000900833387 584829730 /nfs/dbraw/zinc/82/97/30/584829730.db2.gz WBVMLGAYHORAJX-SGMGOOAPSA-N 2 1 269.389 -0.006 20 0 CBADMP C[N@H+](CC(=O)N1CCOCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430962 584890318 /nfs/dbraw/zinc/89/03/18/584890318.db2.gz ANEMASKQNXLGAE-NEPJUHHUSA-N 2 1 255.362 -0.096 20 0 CBADMP CON1CC[C@H]([N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000903458852 584890699 /nfs/dbraw/zinc/89/06/99/584890699.db2.gz LRUOIGFYRPRNLE-RYUDHWBXSA-N 2 1 294.359 -0.464 20 0 CBADMP CON1CC[C@H]([N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000903458852 584890700 /nfs/dbraw/zinc/89/07/00/584890700.db2.gz LRUOIGFYRPRNLE-RYUDHWBXSA-N 2 1 294.359 -0.464 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H](C)C(N)=O)C2 ZINC000903492446 584891600 /nfs/dbraw/zinc/89/16/00/584891600.db2.gz DSVPHPJCAJJIIY-UOKLYIGXSA-N 2 1 255.318 -0.928 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H](C)C(=O)NC1CC1)C2 ZINC000903493125 584891753 /nfs/dbraw/zinc/89/17/53/584891753.db2.gz UPGOTQBHCXEELN-ZVXAKGHKSA-N 2 1 295.383 -0.134 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H]1C[C@H](F)CN1)C2 ZINC000903494517 584891794 /nfs/dbraw/zinc/89/17/94/584891794.db2.gz IBLGGMULDZMWNB-HNRZYHPDSA-N 2 1 285.363 -0.101 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H]1C[C@H](F)CN1)C2 ZINC000903494517 584891795 /nfs/dbraw/zinc/89/17/95/584891795.db2.gz IBLGGMULDZMWNB-HNRZYHPDSA-N 2 1 285.363 -0.101 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCOCC[NH3+])C2 ZINC000903493519 584891818 /nfs/dbraw/zinc/89/18/18/584891818.db2.gz TYJIJVZDQQYXOX-LOWVWBTDSA-N 3 1 271.361 -0.826 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H]1CCN(OC)C1=O)C2 ZINC000903494538 584891895 /nfs/dbraw/zinc/89/18/95/584891895.db2.gz IZJVPHWELFDTHO-OXIWPEFWSA-N 2 1 297.355 -0.639 20 0 CBADMP COCC[C@H]1C[NH2+]CCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000903574129 584893608 /nfs/dbraw/zinc/89/36/08/584893608.db2.gz OUUBGJDWZHCSBD-NWDGAFQWSA-N 2 1 291.417 -0.622 20 0 CBADMP COCC[C@@H]1C[NH2+]CCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000903574128 584893613 /nfs/dbraw/zinc/89/36/13/584893613.db2.gz OUUBGJDWZHCSBD-NEPJUHHUSA-N 2 1 291.417 -0.622 20 0 CBADMP COC[C@@H]1C[NH2+]CCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000903602936 584894850 /nfs/dbraw/zinc/89/48/50/584894850.db2.gz PUFLBCXRNFVDBR-LBPRGKRZSA-N 2 1 291.417 -0.764 20 0 CBADMP CC(C)[N@H+](CC(N)=O)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717420 584895632 /nfs/dbraw/zinc/89/56/32/584895632.db2.gz AEZVTDURSKCUFY-AAEUAGOBSA-N 2 1 255.362 -0.049 20 0 CBADMP CC(C)[N@H+](CC(N)=O)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717422 584895659 /nfs/dbraw/zinc/89/56/59/584895659.db2.gz AEZVTDURSKCUFY-WCQYABFASA-N 2 1 255.362 -0.049 20 0 CBADMP C[N@@H+](CC(=O)NC1CC1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717954 584895669 /nfs/dbraw/zinc/89/56/69/584895669.db2.gz GMJGAOXQZJYIEF-GXTWGEPZSA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@H+](CC(=O)NC1CC1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717954 584895670 /nfs/dbraw/zinc/89/56/70/584895670.db2.gz GMJGAOXQZJYIEF-GXTWGEPZSA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903716603 584895686 /nfs/dbraw/zinc/89/56/86/584895686.db2.gz QAVDNCIBROUWMT-LSDHHAIUSA-N 3 1 282.432 -0.408 20 0 CBADMP CC[N@H+](CC(=O)NC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903724993 584895923 /nfs/dbraw/zinc/89/59/23/584895923.db2.gz UGJLDCJEHJDFJU-DGCLKSJQSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@H+](CC(=O)NC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903724995 584895928 /nfs/dbraw/zinc/89/59/28/584895928.db2.gz UGJLDCJEHJDFJU-YPMHNXCESA-N 2 1 255.362 -0.177 20 0 CBADMP O=C1NC[C@H]2C[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCN12 ZINC000903733305 584896493 /nfs/dbraw/zinc/89/64/93/584896493.db2.gz JTNYEVFWMVHQKB-QWHCGFSZSA-N 2 1 294.399 -0.146 20 0 CBADMP O=C1NC[C@H]2C[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCN12 ZINC000903733305 584896494 /nfs/dbraw/zinc/89/64/94/584896494.db2.gz JTNYEVFWMVHQKB-QWHCGFSZSA-N 2 1 294.399 -0.146 20 0 CBADMP O=C1NC[C@@H]2C[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCN12 ZINC000903735433 584896502 /nfs/dbraw/zinc/89/65/02/584896502.db2.gz ZXYPKKCLZUCLQB-MBNYWOFBSA-N 2 1 280.372 -0.536 20 0 CBADMP O=C1NC[C@@H]2C[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCN12 ZINC000903735433 584896503 /nfs/dbraw/zinc/89/65/03/584896503.db2.gz ZXYPKKCLZUCLQB-MBNYWOFBSA-N 2 1 280.372 -0.536 20 0 CBADMP CN(C)C(=O)[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCN1 ZINC000903756337 584897647 /nfs/dbraw/zinc/89/76/47/584897647.db2.gz QHPFVAVTOMHBNL-OLZOCXBDSA-N 2 1 268.405 -0.262 20 0 CBADMP CN(C)C(=O)[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCN1 ZINC000903756337 584897648 /nfs/dbraw/zinc/89/76/48/584897648.db2.gz QHPFVAVTOMHBNL-OLZOCXBDSA-N 2 1 268.405 -0.262 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903760880 584897765 /nfs/dbraw/zinc/89/77/65/584897765.db2.gz WMCSZUCQPXCFCT-GFCCVEGCSA-N 2 1 296.415 -0.265 20 0 CBADMP NC(=O)C[C@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903775179 584898979 /nfs/dbraw/zinc/89/89/79/584898979.db2.gz ILVLSEAPMXBREU-QWHCGFSZSA-N 2 1 297.399 -0.279 20 0 CBADMP NC(=O)C[C@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903775179 584898981 /nfs/dbraw/zinc/89/89/81/584898981.db2.gz ILVLSEAPMXBREU-QWHCGFSZSA-N 2 1 297.399 -0.279 20 0 CBADMP COC[C@@H](C(N)=O)[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782378 584899433 /nfs/dbraw/zinc/89/94/33/584899433.db2.gz MCDLOKPHMGWCCX-GVXVVHGQSA-N 2 1 271.361 -0.813 20 0 CBADMP COC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782378 584899435 /nfs/dbraw/zinc/89/94/35/584899435.db2.gz MCDLOKPHMGWCCX-GVXVVHGQSA-N 2 1 271.361 -0.813 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)CC[C@H]1C[NH3+] ZINC000903788159 584899702 /nfs/dbraw/zinc/89/97/02/584899702.db2.gz CZCPNLGTPUJFST-NEPJUHHUSA-N 2 1 275.418 -0.061 20 0 CBADMP C[NH2+]CCN(C(=O)C(=O)N1CC[NH+](C(C)C)CC1)C(C)C ZINC000903808550 584900259 /nfs/dbraw/zinc/90/02/59/584900259.db2.gz IGCYRULTGXFTNS-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP O=C(CC[N@H+]1CCO[C@@H]2COCC[C@@H]21)N1CC[NH2+]CC1 ZINC000903825589 584900910 /nfs/dbraw/zinc/90/09/10/584900910.db2.gz ACTWBNOEGODGJR-QWHCGFSZSA-N 2 1 283.372 -0.702 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000903826311 584900944 /nfs/dbraw/zinc/90/09/44/584900944.db2.gz HWXHCRMEXDGZIE-WYUUTHIRSA-N 2 1 275.418 -0.302 20 0 CBADMP NC(=O)[C@]12CCC[C@H]1C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000903826564 584901017 /nfs/dbraw/zinc/90/10/17/584901017.db2.gz LWBWGZDPIOOPBT-WFASDCNBSA-N 2 1 294.399 -0.604 20 0 CBADMP CC[N@@H+](CCC(=O)NC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903826926 584901024 /nfs/dbraw/zinc/90/10/24/584901024.db2.gz OEKFUNMJTFCJMI-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP NC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000903827262 584901049 /nfs/dbraw/zinc/90/10/49/584901049.db2.gz RBAKEQDRKFDPCO-ZOWXZIJZSA-N 2 1 279.384 -0.048 20 0 CBADMP O=C(CC[N@H+]1CCCCCNC(=O)CC1)N1CC[NH2+]CC1 ZINC000903830172 584901392 /nfs/dbraw/zinc/90/13/92/584901392.db2.gz VLDCUONHVCQMKS-UHFFFAOYSA-N 2 1 296.415 -0.200 20 0 CBADMP O=C(CC[N@H+]1CC[C@H](O)[C@@H](F)C1)N1CC[NH2+]CC1 ZINC000903840961 584901754 /nfs/dbraw/zinc/90/17/54/584901754.db2.gz VDBXPBCLRKIYEP-QWRGUYRKSA-N 2 1 259.325 -0.787 20 0 CBADMP O=C(CC[N@@H+]1CC[C@H](O)[C@@H](F)C1)N1CC[NH2+]CC1 ZINC000903840961 584901755 /nfs/dbraw/zinc/90/17/55/584901755.db2.gz VDBXPBCLRKIYEP-QWRGUYRKSA-N 2 1 259.325 -0.787 20 0 CBADMP O=C(CC[N@H+]1CC[C@H](O)[C@H](F)C1)N1CC[NH2+]CC1 ZINC000903840960 584901763 /nfs/dbraw/zinc/90/17/63/584901763.db2.gz VDBXPBCLRKIYEP-MNOVXSKESA-N 2 1 259.325 -0.787 20 0 CBADMP O=C(CC[N@@H+]1CC[C@H](O)[C@H](F)C1)N1CC[NH2+]CC1 ZINC000903840960 584901765 /nfs/dbraw/zinc/90/17/65/584901765.db2.gz VDBXPBCLRKIYEP-MNOVXSKESA-N 2 1 259.325 -0.787 20 0 CBADMP C[C@H]1C(=O)NCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903876647 584903353 /nfs/dbraw/zinc/90/33/53/584903353.db2.gz ZOCVJIZIMQUCQV-WDEREUQCSA-N 2 1 253.346 -0.425 20 0 CBADMP COC[C@@H]1C[NH2+]CCN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000903880989 584903719 /nfs/dbraw/zinc/90/37/19/584903719.db2.gz OIJQYTXXSZTQGZ-OLZOCXBDSA-N 2 1 257.378 -0.373 20 0 CBADMP COC[C@@H]1C[NH2+]CCN1CC[N@H+]1CCO[C@H](C)C1 ZINC000903880989 584903720 /nfs/dbraw/zinc/90/37/20/584903720.db2.gz OIJQYTXXSZTQGZ-OLZOCXBDSA-N 2 1 257.378 -0.373 20 0 CBADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](O)C2)cnn1C ZINC000903884291 584903802 /nfs/dbraw/zinc/90/38/02/584903802.db2.gz WUZKJFMAAFORPB-YPMHNXCESA-N 2 1 252.362 -0.087 20 0 CBADMP COCC[N@@H+](CCO)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903890508 584903983 /nfs/dbraw/zinc/90/39/83/584903983.db2.gz DCEDEDORIFHGLM-ZDUSSCGKSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903908124 584904327 /nfs/dbraw/zinc/90/43/27/584904327.db2.gz DBJNRLLOKLAYLX-WZRBSPASSA-N 2 1 292.387 -0.183 20 0 CBADMP NC(=O)CN1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000903930373 584904812 /nfs/dbraw/zinc/90/48/12/584904812.db2.gz YOJULDLRVPEIGJ-YOGCLGLASA-N 2 1 280.372 -0.854 20 0 CBADMP NC(=O)CN1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000903930373 584904813 /nfs/dbraw/zinc/90/48/13/584904813.db2.gz YOJULDLRVPEIGJ-YOGCLGLASA-N 2 1 280.372 -0.854 20 0 CBADMP CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903923608 584904818 /nfs/dbraw/zinc/90/48/18/584904818.db2.gz YIMAZHMWKLRKLW-DTWKUNHWSA-N 2 1 285.360 -0.018 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cnnn1C)C2 ZINC000903979084 584905567 /nfs/dbraw/zinc/90/55/67/584905567.db2.gz VCDNSANCRXEYNO-CWSCBRNRSA-N 2 1 279.344 -0.473 20 0 CBADMP CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)[NH+]1CCCC1 ZINC000961456747 614304269 /nfs/dbraw/zinc/30/42/69/614304269.db2.gz GUPSPBUMRFTNJN-PJXYFTJBSA-N 2 1 294.399 -0.608 20 0 CBADMP CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[NH+]1CCCC1 ZINC000961456747 614304272 /nfs/dbraw/zinc/30/42/72/614304272.db2.gz GUPSPBUMRFTNJN-PJXYFTJBSA-N 2 1 294.399 -0.608 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000959849799 614355679 /nfs/dbraw/zinc/35/56/79/614355679.db2.gz MDVZWHCPDPOGPX-KZVDOYCCSA-N 2 1 294.399 -0.609 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000959849799 614355680 /nfs/dbraw/zinc/35/56/80/614355680.db2.gz MDVZWHCPDPOGPX-KZVDOYCCSA-N 2 1 294.399 -0.609 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000959849799 614355682 /nfs/dbraw/zinc/35/56/82/614355682.db2.gz MDVZWHCPDPOGPX-KZVDOYCCSA-N 2 1 294.399 -0.609 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000959849799 614355684 /nfs/dbraw/zinc/35/56/84/614355684.db2.gz MDVZWHCPDPOGPX-KZVDOYCCSA-N 2 1 294.399 -0.609 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000968915699 614356128 /nfs/dbraw/zinc/35/61/28/614356128.db2.gz NUYFYMKAWKUYCH-OLZOCXBDSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)N1CCO[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)C1 ZINC000972170085 614363318 /nfs/dbraw/zinc/36/33/18/614363318.db2.gz YCZLTKAHRSGNOK-UONOGXRCSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)CCO)C2)C1 ZINC000972170085 614363319 /nfs/dbraw/zinc/36/33/19/614363319.db2.gz YCZLTKAHRSGNOK-UONOGXRCSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)CCO)C2)C1 ZINC000972170085 614363320 /nfs/dbraw/zinc/36/33/20/614363320.db2.gz YCZLTKAHRSGNOK-UONOGXRCSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCO)C2)C1 ZINC000972170085 614363321 /nfs/dbraw/zinc/36/33/21/614363321.db2.gz YCZLTKAHRSGNOK-UONOGXRCSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)C1 ZINC000972170085 614363322 /nfs/dbraw/zinc/36/33/22/614363322.db2.gz YCZLTKAHRSGNOK-UONOGXRCSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)CC(N)=O)C1 ZINC000971640372 614677925 /nfs/dbraw/zinc/67/79/25/614677925.db2.gz FHJZRKOAWNUVNQ-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000968304634 614896833 /nfs/dbraw/zinc/89/68/33/614896833.db2.gz YTJRLRJBQVCIBX-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000968304634 614896834 /nfs/dbraw/zinc/89/68/34/614896834.db2.gz YTJRLRJBQVCIBX-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941666282 615087823 /nfs/dbraw/zinc/08/78/23/615087823.db2.gz SUYPDPRJAUQVJJ-ZDUSSCGKSA-N 2 1 280.416 -0.214 20 0 CBADMP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000962661099 615171976 /nfs/dbraw/zinc/17/19/76/615171976.db2.gz DUWZGBDXZNGKFK-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000962661099 615171978 /nfs/dbraw/zinc/17/19/78/615171978.db2.gz DUWZGBDXZNGKFK-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000962661099 615171980 /nfs/dbraw/zinc/17/19/80/615171980.db2.gz DUWZGBDXZNGKFK-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000962661099 615171982 /nfs/dbraw/zinc/17/19/82/615171982.db2.gz DUWZGBDXZNGKFK-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2)[NH+](C)C ZINC000982019257 615368168 /nfs/dbraw/zinc/36/81/68/615368168.db2.gz SAAVNHXUVVTJLK-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2)[NH+](C)C ZINC000982019257 615368171 /nfs/dbraw/zinc/36/81/71/615368171.db2.gz SAAVNHXUVVTJLK-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000971777815 615602068 /nfs/dbraw/zinc/60/20/68/615602068.db2.gz HSRPNQMUPWNQIQ-GHMZBOCLSA-N 2 1 270.377 -0.655 20 0 CBADMP CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC000958414771 615965933 /nfs/dbraw/zinc/96/59/33/615965933.db2.gz KHPKXCNIDMGLBT-CZXHOFHRSA-N 2 1 294.399 -0.785 20 0 CBADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC000958414771 615965936 /nfs/dbraw/zinc/96/59/36/615965936.db2.gz KHPKXCNIDMGLBT-CZXHOFHRSA-N 2 1 294.399 -0.785 20 0 CBADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC000958414771 615965938 /nfs/dbraw/zinc/96/59/38/615965938.db2.gz KHPKXCNIDMGLBT-CZXHOFHRSA-N 2 1 294.399 -0.785 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971540080 616111014 /nfs/dbraw/zinc/11/10/14/616111014.db2.gz CEBNOKZVSVJSHI-KGLIPLIRSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CC1 ZINC000978673826 616167149 /nfs/dbraw/zinc/16/71/49/616167149.db2.gz FUVHMOMDKZCENU-ZSOGYDGISA-N 2 1 281.400 -0.386 20 0 CBADMP C[NH+]1CCC(OCC(=O)N2CCC[N@@H+](CCO)CC2)CC1 ZINC000983046693 616174894 /nfs/dbraw/zinc/17/48/94/616174894.db2.gz HKMDZXLNYGTQQO-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000960576244 616180654 /nfs/dbraw/zinc/18/06/54/616180654.db2.gz GUXMYKUQUNDVIZ-RQJABVFESA-N 2 1 281.400 -0.101 20 0 CBADMP Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000967925029 616192359 /nfs/dbraw/zinc/19/23/59/616192359.db2.gz LXGMVNKYUDGUBB-VXGBXAGGSA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000967925029 616192360 /nfs/dbraw/zinc/19/23/60/616192360.db2.gz LXGMVNKYUDGUBB-VXGBXAGGSA-N 2 1 292.387 -0.400 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC000958414835 616195126 /nfs/dbraw/zinc/19/51/26/616195126.db2.gz LHNZHDWSNHLOLZ-XQHKEYJVSA-N 2 1 267.373 -0.491 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000958414835 616195127 /nfs/dbraw/zinc/19/51/27/616195127.db2.gz LHNZHDWSNHLOLZ-XQHKEYJVSA-N 2 1 267.373 -0.491 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000958414835 616195128 /nfs/dbraw/zinc/19/51/28/616195128.db2.gz LHNZHDWSNHLOLZ-XQHKEYJVSA-N 2 1 267.373 -0.491 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000968967503 616195236 /nfs/dbraw/zinc/19/52/36/616195236.db2.gz RSXCSZRDSSAXSB-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP CN(CC(N)=O)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000971715010 616213328 /nfs/dbraw/zinc/21/33/28/616213328.db2.gz CILPBKFVCWPDKD-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC000971715010 616213329 /nfs/dbraw/zinc/21/33/29/616213329.db2.gz CILPBKFVCWPDKD-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC000971715010 616213330 /nfs/dbraw/zinc/21/33/30/616213330.db2.gz CILPBKFVCWPDKD-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000971715010 616213331 /nfs/dbraw/zinc/21/33/31/616213331.db2.gz CILPBKFVCWPDKD-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000971715010 616213332 /nfs/dbraw/zinc/21/33/32/616213332.db2.gz CILPBKFVCWPDKD-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC000958475254 616253177 /nfs/dbraw/zinc/25/31/77/616253177.db2.gz VIJPDDGBTVIMHC-XQHKEYJVSA-N 2 1 285.363 -0.277 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC000958475254 616253178 /nfs/dbraw/zinc/25/31/78/616253178.db2.gz VIJPDDGBTVIMHC-XQHKEYJVSA-N 2 1 285.363 -0.277 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC000958475254 616253179 /nfs/dbraw/zinc/25/31/79/616253179.db2.gz VIJPDDGBTVIMHC-XQHKEYJVSA-N 2 1 285.363 -0.277 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC000958475254 616253180 /nfs/dbraw/zinc/25/31/80/616253180.db2.gz VIJPDDGBTVIMHC-XQHKEYJVSA-N 2 1 285.363 -0.277 20 0 CBADMP Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000970711113 616265270 /nfs/dbraw/zinc/26/52/70/616265270.db2.gz ASGKMPHVJRQAGW-VXGBXAGGSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000970711113 616265271 /nfs/dbraw/zinc/26/52/71/616265271.db2.gz ASGKMPHVJRQAGW-VXGBXAGGSA-N 2 1 292.387 -0.543 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980390208 616364299 /nfs/dbraw/zinc/36/42/99/616364299.db2.gz GAZIKMIFXNZVQT-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+](CCO)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980390208 616364303 /nfs/dbraw/zinc/36/43/03/616364303.db2.gz GAZIKMIFXNZVQT-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+](CCO)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980390208 616364307 /nfs/dbraw/zinc/36/43/07/616364307.db2.gz GAZIKMIFXNZVQT-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)CC2(C)C)C1 ZINC000941217181 616376475 /nfs/dbraw/zinc/37/64/75/616376475.db2.gz KUJORWGPQOFJGV-NWDGAFQWSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)CC2(C)C)C1 ZINC000941217181 616376478 /nfs/dbraw/zinc/37/64/78/616376478.db2.gz KUJORWGPQOFJGV-NWDGAFQWSA-N 2 1 296.415 -0.360 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000941217181 616376483 /nfs/dbraw/zinc/37/64/83/616376483.db2.gz KUJORWGPQOFJGV-NWDGAFQWSA-N 2 1 296.415 -0.360 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000941217181 616376485 /nfs/dbraw/zinc/37/64/85/616376485.db2.gz KUJORWGPQOFJGV-NWDGAFQWSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)CC2(C)C)C1 ZINC000941217233 616379110 /nfs/dbraw/zinc/37/91/10/616379110.db2.gz KUJORWGPQOFJGV-RYUDHWBXSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)CC2(C)C)C1 ZINC000941217233 616379112 /nfs/dbraw/zinc/37/91/12/616379112.db2.gz KUJORWGPQOFJGV-RYUDHWBXSA-N 2 1 296.415 -0.360 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000941217233 616379115 /nfs/dbraw/zinc/37/91/15/616379115.db2.gz KUJORWGPQOFJGV-RYUDHWBXSA-N 2 1 296.415 -0.360 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000941217233 616379119 /nfs/dbraw/zinc/37/91/19/616379119.db2.gz KUJORWGPQOFJGV-RYUDHWBXSA-N 2 1 296.415 -0.360 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962581148 616791824 /nfs/dbraw/zinc/79/18/24/616791824.db2.gz WNQKRWYWQNRMQK-NMKXLXIOSA-N 2 1 294.399 -0.737 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905352480 656352660 /nfs/dbraw/zinc/35/26/60/656352660.db2.gz DHXLSGKMHBWSSJ-VXGBXAGGSA-N 2 1 260.378 -0.398 20 0 CBADMP C[C@@H]1CC[N@@H+](CCN2C(=O)CN(C)C2=O)C[C@@H]1C[NH3+] ZINC000923375655 658245215 /nfs/dbraw/zinc/24/52/15/658245215.db2.gz OMBWGDYPMSNMBL-MNOVXSKESA-N 2 1 268.361 -0.203 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923486320 658304497 /nfs/dbraw/zinc/30/44/97/658304497.db2.gz PJIGHCYWJGTTOV-JHJVBQTASA-N 2 1 296.415 -0.231 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484833 658304552 /nfs/dbraw/zinc/30/45/52/658304552.db2.gz OIBCOQNEZHYFHM-SNVBAGLBSA-N 2 1 257.334 -0.664 20 0 CBADMP NC(=O)C12CCC(CC1)[N@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000923531714 658315009 /nfs/dbraw/zinc/31/50/09/658315009.db2.gz SRHSOZWSASUQKU-CVZZAPKMSA-N 2 1 265.357 -0.010 20 0 CBADMP C[C@H]1C[C@H](NS(=O)(=O)C2C[NH2+]C2)C[N@H+]1C1CC1 ZINC000923623362 658356863 /nfs/dbraw/zinc/35/68/63/658356863.db2.gz AORXMUUAMFKFFO-IUCAKERBSA-N 2 1 259.375 -0.497 20 0 CBADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)C1C[NH2+]C1 ZINC000923622400 658357260 /nfs/dbraw/zinc/35/72/60/658357260.db2.gz XOWFGOBFVVEDFQ-QWRGUYRKSA-N 2 1 273.402 -0.153 20 0 CBADMP CC[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000923622425 658357850 /nfs/dbraw/zinc/35/78/50/658357850.db2.gz YJVZCAYDRUSZNV-QWRGUYRKSA-N 2 1 291.417 -0.935 20 0 CBADMP CC[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000923622425 658357863 /nfs/dbraw/zinc/35/78/63/658357863.db2.gz YJVZCAYDRUSZNV-QWRGUYRKSA-N 2 1 291.417 -0.935 20 0 CBADMP Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923622411 658359368 /nfs/dbraw/zinc/35/93/68/658359368.db2.gz XXTGWMCLSJYFJJ-NSHDSACASA-N 2 1 284.385 -0.042 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)NCC[N@@H+](C)CCO)n1 ZINC000925004003 658740639 /nfs/dbraw/zinc/74/06/39/658740639.db2.gz FTFAXZHYQXVHPK-UHFFFAOYSA-N 2 1 283.376 -0.901 20 0 CBADMP O=S1(=O)CCNC[C@@H]1CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925790089 658871825 /nfs/dbraw/zinc/87/18/25/658871825.db2.gz FYRZFSVSHYTRKM-VZKILSJISA-N 2 1 299.440 -0.651 20 0 CBADMP [NH3+]C1CCN(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925817732 658874004 /nfs/dbraw/zinc/87/40/04/658874004.db2.gz WFQOCFKBARWFOG-RCZQDCHWSA-N 3 1 264.417 -0.005 20 0 CBADMP COC(=O)CNC(=O)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440329 659463126 /nfs/dbraw/zinc/46/31/26/659463126.db2.gz VUEKIUKUIFSGBX-NWDGAFQWSA-N 2 1 283.372 -0.451 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440329 659463137 /nfs/dbraw/zinc/46/31/37/659463137.db2.gz VUEKIUKUIFSGBX-NWDGAFQWSA-N 2 1 283.372 -0.451 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440329 659463141 /nfs/dbraw/zinc/46/31/41/659463141.db2.gz VUEKIUKUIFSGBX-NWDGAFQWSA-N 2 1 283.372 -0.451 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)NC(N)=O)C[C@@H]2C1 ZINC000931431894 659464864 /nfs/dbraw/zinc/46/48/64/659464864.db2.gz FPIQCDPNRFMDFG-ZJUUUORDSA-N 2 1 254.334 -0.545 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)NC(N)=O)C[C@@H]2C1 ZINC000931431894 659464877 /nfs/dbraw/zinc/46/48/77/659464877.db2.gz FPIQCDPNRFMDFG-ZJUUUORDSA-N 2 1 254.334 -0.545 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)NC(N)=O)C[C@@H]2C1 ZINC000931431894 659464887 /nfs/dbraw/zinc/46/48/87/659464887.db2.gz FPIQCDPNRFMDFG-ZJUUUORDSA-N 2 1 254.334 -0.545 20 0 CBADMP CON1CC[C@H]([NH+]2CCC(O)(C[NH+](C)C)CC2)C1=O ZINC000931478584 659470998 /nfs/dbraw/zinc/47/09/98/659470998.db2.gz CHZONDBUPDQCBW-NSHDSACASA-N 2 1 271.361 -0.463 20 0 CBADMP CCOCCNC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486218 659472511 /nfs/dbraw/zinc/47/25/11/659472511.db2.gz YEVHJWSWPPDZMS-UHFFFAOYSA-N 2 1 287.404 -0.472 20 0 CBADMP CC(C)C[NH+]1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000040860817 656005996 /nfs/dbraw/zinc/00/59/96/656005996.db2.gz ZYSRMNVDIUXTOW-UHFFFAOYSA-N 2 1 290.433 -0.590 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000052808830 656025178 /nfs/dbraw/zinc/02/51/78/656025178.db2.gz CCCWROIFWJPKAA-LBPRGKRZSA-N 2 1 255.362 -0.096 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298863 656026098 /nfs/dbraw/zinc/02/60/98/656026098.db2.gz CPKIUKPQGPNBGZ-NSHDSACASA-N 2 1 268.361 -0.981 20 0 CBADMP CS(=O)(=O)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000062084314 656032869 /nfs/dbraw/zinc/03/28/69/656032869.db2.gz KTRLVCWMZXKZBZ-LBPRGKRZSA-N 2 1 275.418 -0.047 20 0 CBADMP CNC(NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)=[NH+]C ZINC000066246644 656036157 /nfs/dbraw/zinc/03/61/57/656036157.db2.gz DILXSWKESQTFFN-NSHDSACASA-N 2 1 269.393 -0.276 20 0 CBADMP COC1CC[NH+](CCNC(=[NH2+])N2CCOCC2)CC1 ZINC000079918464 656048380 /nfs/dbraw/zinc/04/83/80/656048380.db2.gz ZGLMNEYKVXJFMK-UHFFFAOYSA-N 2 1 270.377 -0.256 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CCC[NH2+]1 ZINC000091668347 656058811 /nfs/dbraw/zinc/05/88/11/656058811.db2.gz PZKHANZTGZKQJC-IJLUTSLNSA-N 2 1 253.346 -0.282 20 0 CBADMP Cn1c(C[N@@H+](C)C2CCC([NH3+])CC2)cc(=O)n(C)c1=O ZINC000091846309 656058949 /nfs/dbraw/zinc/05/89/49/656058949.db2.gz CVSPLEKIUNJTML-UHFFFAOYSA-N 2 1 280.372 -0.214 20 0 CBADMP O=C(N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[C@]1(F)CC[NH2+]C1 ZINC000186701255 656095346 /nfs/dbraw/zinc/09/53/46/656095346.db2.gz JYMADVHNQNGXPO-RISCZKNCSA-N 2 1 298.362 -0.889 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000228190169 656109577 /nfs/dbraw/zinc/10/95/77/656109577.db2.gz HDFLOFIZVCCJGR-AVGNSLFASA-N 2 1 269.389 -0.053 20 0 CBADMP C[NH+](C)CCNC(=S)NCCC[NH+]1CCOCC1 ZINC000244181361 656118285 /nfs/dbraw/zinc/11/82/85/656118285.db2.gz VJHRRFHROPJYPQ-UHFFFAOYSA-N 2 1 274.434 -0.266 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250483056 656121804 /nfs/dbraw/zinc/12/18/04/656121804.db2.gz XIEOLCCIOBMCKA-MGPQQGTHSA-N 2 1 299.415 -0.426 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CCC[NH2+]C1 ZINC000250521508 656121985 /nfs/dbraw/zinc/12/19/85/656121985.db2.gz LITFGCKVBFJIQI-AGIUHOORSA-N 2 1 267.373 -0.035 20 0 CBADMP CCOC[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252562360 656123099 /nfs/dbraw/zinc/12/30/99/656123099.db2.gz WUNDJCQXFHYVCA-XQQFMLRXSA-N 2 1 258.362 -0.163 20 0 CBADMP CCOC[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252562360 656123100 /nfs/dbraw/zinc/12/31/00/656123100.db2.gz WUNDJCQXFHYVCA-XQQFMLRXSA-N 2 1 258.362 -0.163 20 0 CBADMP O=C(CC[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CC[NH2+]CC1 ZINC000262081556 656128796 /nfs/dbraw/zinc/12/87/96/656128796.db2.gz KSMWCZLQTVHGIG-NEPJUHHUSA-N 2 1 280.372 -0.839 20 0 CBADMP O=C(CC[N@H+]1CC[C@]2(CCOC2)C1)N1CC[NH2+]CC1 ZINC000262211911 656129470 /nfs/dbraw/zinc/12/94/70/656129470.db2.gz TVQCZZSZNCVBBN-AWEZNQCLSA-N 2 1 267.373 -0.079 20 0 CBADMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(=O)n(C)c1=O ZINC000262148348 656129517 /nfs/dbraw/zinc/12/95/17/656129517.db2.gz ZRZHKZGIZWBDPW-UHFFFAOYSA-N 2 1 292.383 -0.341 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000311017291 656144923 /nfs/dbraw/zinc/14/49/23/656144923.db2.gz YIHNKVVFPRTZRV-VIFPVBQESA-N 2 1 269.374 -0.175 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000311017291 656144924 /nfs/dbraw/zinc/14/49/24/656144924.db2.gz YIHNKVVFPRTZRV-VIFPVBQESA-N 2 1 269.374 -0.175 20 0 CBADMP C[N@@H+](C[C@H](O)CNC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1CC1 ZINC000312321601 656147156 /nfs/dbraw/zinc/14/71/56/656147156.db2.gz GKBHVJZZSIUBBK-RBSFLKMASA-N 2 1 283.416 -0.106 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000312321601 656147157 /nfs/dbraw/zinc/14/71/57/656147157.db2.gz GKBHVJZZSIUBBK-RBSFLKMASA-N 2 1 283.416 -0.106 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000312321601 656147158 /nfs/dbraw/zinc/14/71/58/656147158.db2.gz GKBHVJZZSIUBBK-RBSFLKMASA-N 2 1 283.416 -0.106 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000446287973 656171986 /nfs/dbraw/zinc/17/19/86/656171986.db2.gz MVRPWVSTFCOOTQ-UHFFFAOYSA-N 2 1 274.328 -0.010 20 0 CBADMP COC(=O)N(C)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000701589961 656179422 /nfs/dbraw/zinc/17/94/22/656179422.db2.gz BCBAPIXSYPDENY-NSHDSACASA-N 2 1 259.350 -0.269 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000702420711 656180586 /nfs/dbraw/zinc/18/05/86/656180586.db2.gz NCVHPOWNISWCIF-WOPDTQHZSA-N 2 1 254.378 -0.430 20 0 CBADMP 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 656182138 /nfs/dbraw/zinc/18/21/38/656182138.db2.gz WGKRMTBKKVQMGE-GLBINXAQSA-N 2 1 251.374 -0.361 20 0 CBADMP [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000703612572 656183525 /nfs/dbraw/zinc/18/35/25/656183525.db2.gz VXHVRVIMJTWQQZ-USZNOCQGSA-N 2 1 253.346 -0.297 20 0 CBADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708140208 656191551 /nfs/dbraw/zinc/19/15/51/656191551.db2.gz GSDMWIQNPZZZGI-OPRDCNLKSA-N 2 1 256.350 -0.253 20 0 CBADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708140208 656191552 /nfs/dbraw/zinc/19/15/52/656191552.db2.gz GSDMWIQNPZZZGI-OPRDCNLKSA-N 2 1 256.350 -0.253 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC000708547803 656193259 /nfs/dbraw/zinc/19/32/59/656193259.db2.gz MQELZUIKQUYVHI-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCOCC1)C2 ZINC000709856528 656196153 /nfs/dbraw/zinc/19/61/53/656196153.db2.gz VUDDUNZODVLOEV-TUAOUCFPSA-N 2 1 253.346 -0.343 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCOCC1)C2 ZINC000709856528 656196155 /nfs/dbraw/zinc/19/61/55/656196155.db2.gz VUDDUNZODVLOEV-TUAOUCFPSA-N 2 1 253.346 -0.343 20 0 CBADMP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000710128314 656197105 /nfs/dbraw/zinc/19/71/05/656197105.db2.gz PEUSHDNCMFPIRT-QJPTWQEYSA-N 2 1 267.373 -0.036 20 0 CBADMP COC[C@@]1(C(=O)NC[C@H]2CCC[N@H+]2C)C[NH2+]CCO1 ZINC000710756106 656200708 /nfs/dbraw/zinc/20/07/08/656200708.db2.gz UZHZWZKLMYBHDV-DGCLKSJQSA-N 2 1 271.361 -0.798 20 0 CBADMP COC[C@]1(C(=O)NC[C@H]2CCC[N@H+]2C)C[NH2+]CCO1 ZINC000710756108 656201024 /nfs/dbraw/zinc/20/10/24/656201024.db2.gz UZHZWZKLMYBHDV-YPMHNXCESA-N 2 1 271.361 -0.798 20 0 CBADMP COC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)C[NH2+]CCO1 ZINC000710784205 656201456 /nfs/dbraw/zinc/20/14/56/656201456.db2.gz PVFRQJWTUUJHME-GXTWGEPZSA-N 2 1 285.388 -0.551 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH2+]CCC1(C)C ZINC000712581548 656210806 /nfs/dbraw/zinc/21/08/06/656210806.db2.gz AVCGAZLUQXIAJC-ZDUSSCGKSA-N 2 1 273.421 -0.001 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000715032534 656217862 /nfs/dbraw/zinc/21/78/62/656217862.db2.gz DJVINRWSYPGKAR-SOUVJXGZSA-N 2 1 285.432 -0.001 20 0 CBADMP O=C(N[C@H]1CCC[N@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC000715842062 656220614 /nfs/dbraw/zinc/22/06/14/656220614.db2.gz FCWFYNUZFQSHKW-LBPRGKRZSA-N 2 1 267.373 -0.345 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C2OCCO2)C1 ZINC000719025952 656233635 /nfs/dbraw/zinc/23/36/35/656233635.db2.gz VHIKSIIQXWPSAC-RYUDHWBXSA-N 2 1 258.362 -0.006 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C2OCCO2)C1 ZINC000719025952 656233639 /nfs/dbraw/zinc/23/36/39/656233639.db2.gz VHIKSIIQXWPSAC-RYUDHWBXSA-N 2 1 258.362 -0.006 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719025952 656233640 /nfs/dbraw/zinc/23/36/40/656233640.db2.gz VHIKSIIQXWPSAC-RYUDHWBXSA-N 2 1 258.362 -0.006 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000719025952 656233643 /nfs/dbraw/zinc/23/36/43/656233643.db2.gz VHIKSIIQXWPSAC-RYUDHWBXSA-N 2 1 258.362 -0.006 20 0 CBADMP Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000719192304 656234746 /nfs/dbraw/zinc/23/47/46/656234746.db2.gz NIIBIEYAIZOZND-SNVBAGLBSA-N 2 1 251.334 -0.297 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000884787632 656254906 /nfs/dbraw/zinc/25/49/06/656254906.db2.gz XTBDIICQPRWXJC-UPJWGTAASA-N 2 1 296.415 -0.360 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(CC)[C@@H]2CC[NH2+]C2)C1 ZINC000884787051 656255152 /nfs/dbraw/zinc/25/51/52/656255152.db2.gz FJDHHAAOQPWVPU-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884787561 656255207 /nfs/dbraw/zinc/25/52/07/656255207.db2.gz VOFXGBJJECVHFP-SRVKXCTJSA-N 2 1 280.372 -0.840 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC[C@@H]21 ZINC000885192863 656259741 /nfs/dbraw/zinc/25/97/41/656259741.db2.gz KLJVVFVYTPKPMG-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000890066656 656270565 /nfs/dbraw/zinc/27/05/65/656270565.db2.gz XDAGCVLMTMDWQK-WCQYABFASA-N 2 1 270.377 -0.554 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000890066656 656270570 /nfs/dbraw/zinc/27/05/70/656270570.db2.gz XDAGCVLMTMDWQK-WCQYABFASA-N 2 1 270.377 -0.554 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000890066656 656270573 /nfs/dbraw/zinc/27/05/73/656270573.db2.gz XDAGCVLMTMDWQK-WCQYABFASA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1C[NH+](C)CCN1C ZINC000896560800 656289943 /nfs/dbraw/zinc/28/99/43/656289943.db2.gz TVRLEDPSCZTCHG-AVGNSLFASA-N 2 1 268.405 -0.311 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC000896560800 656289950 /nfs/dbraw/zinc/28/99/50/656289950.db2.gz TVRLEDPSCZTCHG-AVGNSLFASA-N 2 1 268.405 -0.311 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896560800 656289957 /nfs/dbraw/zinc/28/99/57/656289957.db2.gz TVRLEDPSCZTCHG-AVGNSLFASA-N 2 1 268.405 -0.311 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000897561193 656293758 /nfs/dbraw/zinc/29/37/58/656293758.db2.gz ZDTHNVVFJSPFAG-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000897561193 656293760 /nfs/dbraw/zinc/29/37/60/656293760.db2.gz ZDTHNVVFJSPFAG-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000897465848 656293863 /nfs/dbraw/zinc/29/38/63/656293863.db2.gz JEIPQRKVTYRTSF-HZSPNIEDSA-N 2 1 296.415 -0.211 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000897465848 656293868 /nfs/dbraw/zinc/29/38/68/656293868.db2.gz JEIPQRKVTYRTSF-HZSPNIEDSA-N 2 1 296.415 -0.211 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000900836997 656312930 /nfs/dbraw/zinc/31/29/30/656312930.db2.gz XWOJZCCYXXGJOK-OCCSQVGLSA-N 2 1 287.404 -0.474 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900836997 656312933 /nfs/dbraw/zinc/31/29/33/656312933.db2.gz XWOJZCCYXXGJOK-OCCSQVGLSA-N 2 1 287.404 -0.474 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900836997 656312936 /nfs/dbraw/zinc/31/29/36/656312936.db2.gz XWOJZCCYXXGJOK-OCCSQVGLSA-N 2 1 287.404 -0.474 20 0 CBADMP NS(=O)(=O)[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903753245 656322158 /nfs/dbraw/zinc/32/21/58/656322158.db2.gz SIVNZVPGOHCARE-WDEREUQCSA-N 2 1 261.391 -0.261 20 0 CBADMP NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903753245 656322161 /nfs/dbraw/zinc/32/21/61/656322161.db2.gz SIVNZVPGOHCARE-WDEREUQCSA-N 2 1 261.391 -0.261 20 0 CBADMP [NH3+]CCOCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903508851 656321942 /nfs/dbraw/zinc/32/19/42/656321942.db2.gz XIYHPDLVWBRZGP-GASCZTMLSA-N 3 1 282.432 -0.138 20 0 CBADMP [NH3+]CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508851 656321946 /nfs/dbraw/zinc/32/19/46/656321946.db2.gz XIYHPDLVWBRZGP-GASCZTMLSA-N 3 1 282.432 -0.138 20 0 CBADMP [NH3+]CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508851 656321952 /nfs/dbraw/zinc/32/19/52/656321952.db2.gz XIYHPDLVWBRZGP-GASCZTMLSA-N 3 1 282.432 -0.138 20 0 CBADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752392 656321967 /nfs/dbraw/zinc/32/19/67/656321967.db2.gz SHHDCZYUZBATCW-NEPJUHHUSA-N 3 1 257.378 -0.604 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752392 656321971 /nfs/dbraw/zinc/32/19/71/656321971.db2.gz SHHDCZYUZBATCW-NEPJUHHUSA-N 3 1 257.378 -0.604 20 0 CBADMP C[C@]12C[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C[C@@]1(C)C(=O)NC2=O ZINC000904385425 656326264 /nfs/dbraw/zinc/32/62/64/656326264.db2.gz YNGHIHXSKUSAIR-KGOITJQVSA-N 2 1 251.330 -0.292 20 0 CBADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)CC[NH2+]1 ZINC000904429183 656326898 /nfs/dbraw/zinc/32/68/98/656326898.db2.gz YRUDBTYWHKEEDO-UTUOFQBUSA-N 2 1 275.418 -0.015 20 0 CBADMP C[NH+]1CCN(c2ncc(CNCC3([NH3+])CC3)cn2)CC1 ZINC000904449071 656327990 /nfs/dbraw/zinc/32/79/90/656327990.db2.gz FMDHHXBVKFANGE-UHFFFAOYSA-N 2 1 276.388 -0.191 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000904958758 656330803 /nfs/dbraw/zinc/33/08/03/656330803.db2.gz MQIZAUHWZCTULP-UHIISALHSA-N 2 1 282.388 -0.798 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NCCCN2CCOCC2)C1 ZINC000905046343 656335521 /nfs/dbraw/zinc/33/55/21/656335521.db2.gz NJOUKDDGOASTCG-UHFFFAOYSA-N 2 1 298.431 -0.682 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905343840 656350476 /nfs/dbraw/zinc/35/04/76/656350476.db2.gz GXAJKIYJCDSWSU-VXGBXAGGSA-N 2 1 260.378 -0.445 20 0 CBADMP C[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000905329244 656349505 /nfs/dbraw/zinc/34/95/05/656349505.db2.gz JBJIEBRDGKMONC-SNVBAGLBSA-N 2 1 261.391 -0.391 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905343838 656350832 /nfs/dbraw/zinc/35/08/32/656350832.db2.gz GXAJKIYJCDSWSU-NWDGAFQWSA-N 2 1 260.378 -0.445 20 0 CBADMP O[C@H](C[NH2+]C[C@H](O)C1(O)CCCC1)C[NH+]1CCCC1 ZINC000905346412 656351205 /nfs/dbraw/zinc/35/12/05/656351205.db2.gz QEZMJVMQCLWXES-OLZOCXBDSA-N 2 1 272.389 -0.301 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000905345533 656351211 /nfs/dbraw/zinc/35/12/11/656351211.db2.gz NLSQVERHYSUXKD-QWHCGFSZSA-N 2 1 274.405 -0.198 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)C[C@@H]1CCCO1)C1CC1 ZINC000905460525 656358070 /nfs/dbraw/zinc/35/80/70/656358070.db2.gz MCUWNQOYAULUHA-YUTCNCBUSA-N 2 1 272.389 -0.039 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)C[C@@H]1CCCO1)C1CC1 ZINC000905460525 656358073 /nfs/dbraw/zinc/35/80/73/656358073.db2.gz MCUWNQOYAULUHA-YUTCNCBUSA-N 2 1 272.389 -0.039 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CCN1CCNC1=O)C1CC1 ZINC000905480169 656359458 /nfs/dbraw/zinc/35/94/58/656359458.db2.gz DKAXCOWIJTWVQT-NSHDSACASA-N 2 1 256.350 -0.944 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCN1CCNC1=O)C1CC1 ZINC000905480169 656359462 /nfs/dbraw/zinc/35/94/62/656359462.db2.gz DKAXCOWIJTWVQT-NSHDSACASA-N 2 1 256.350 -0.944 20 0 CBADMP CCO[C@H](C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1)C[NH+](C)C ZINC000905581839 656362690 /nfs/dbraw/zinc/36/26/90/656362690.db2.gz XWICEJICVBZBKL-MCIONIFRSA-N 2 1 290.404 -0.555 20 0 CBADMP Cn1nnc2c1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)CC2 ZINC000905631927 656364478 /nfs/dbraw/zinc/36/44/78/656364478.db2.gz CRCZSMQOOMTXIF-JQWIXIFHSA-N 2 1 279.388 -0.283 20 0 CBADMP Cn1nnc2c1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000905631927 656364480 /nfs/dbraw/zinc/36/44/80/656364480.db2.gz CRCZSMQOOMTXIF-JQWIXIFHSA-N 2 1 279.388 -0.283 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906360961 656385397 /nfs/dbraw/zinc/38/53/97/656385397.db2.gz BKLPQHPNNDAEQK-CYBMUJFWSA-N 2 1 282.432 -0.062 20 0 CBADMP CC[NH+]1CC[C@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906360961 656385400 /nfs/dbraw/zinc/38/54/00/656385400.db2.gz BKLPQHPNNDAEQK-CYBMUJFWSA-N 2 1 282.432 -0.062 20 0 CBADMP CC[NH+]1CC[C@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906360961 656385404 /nfs/dbraw/zinc/38/54/04/656385404.db2.gz BKLPQHPNNDAEQK-CYBMUJFWSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906678237 656396823 /nfs/dbraw/zinc/39/68/23/656396823.db2.gz DHKWCIBUPVMZKX-LBPRGKRZSA-N 2 1 270.421 -0.064 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)C1CN(C)CC[NH+](C)C1 ZINC000906682700 656397488 /nfs/dbraw/zinc/39/74/88/656397488.db2.gz ROABIUHYRYVYMU-UHFFFAOYSA-N 2 1 270.421 -0.064 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906682700 656397490 /nfs/dbraw/zinc/39/74/90/656397490.db2.gz ROABIUHYRYVYMU-UHFFFAOYSA-N 2 1 270.421 -0.064 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906682700 656397495 /nfs/dbraw/zinc/39/74/95/656397495.db2.gz ROABIUHYRYVYMU-UHFFFAOYSA-N 2 1 270.421 -0.064 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906882937 656404730 /nfs/dbraw/zinc/40/47/30/656404730.db2.gz QHTDJOUTXARYGN-UHFFFAOYSA-N 2 1 256.394 -0.500 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996517083 656417930 /nfs/dbraw/zinc/41/79/30/656417930.db2.gz DEFOMPVJKWXMER-NWDGAFQWSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996614399 656447724 /nfs/dbraw/zinc/44/77/24/656447724.db2.gz NCBVPEOCHISPKC-QWRGUYRKSA-N 2 1 282.388 -0.750 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000996929791 656460805 /nfs/dbraw/zinc/46/08/05/656460805.db2.gz PAXJQRCREWTTDQ-AWEZNQCLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000996929791 656460808 /nfs/dbraw/zinc/46/08/08/656460808.db2.gz PAXJQRCREWTTDQ-AWEZNQCLSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000997179164 656469127 /nfs/dbraw/zinc/46/91/27/656469127.db2.gz GUVKRGSZOOIMLH-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC000997297379 656472035 /nfs/dbraw/zinc/47/20/35/656472035.db2.gz FRGDVZUDEUSHOZ-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]CCO)CC1 ZINC000997308362 656472515 /nfs/dbraw/zinc/47/25/15/656472515.db2.gz DUAAFLWGVYGIFZ-UHFFFAOYSA-N 2 1 266.345 -0.236 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997361603 656473976 /nfs/dbraw/zinc/47/39/76/656473976.db2.gz WQVGFHFYAXFNEW-TXEJJXNPSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000907386529 656498629 /nfs/dbraw/zinc/49/86/29/656498629.db2.gz DXVRHEICTUGIQQ-KGLIPLIRSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000907386529 656498631 /nfs/dbraw/zinc/49/86/31/656498631.db2.gz DXVRHEICTUGIQQ-KGLIPLIRSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000907386529 656498633 /nfs/dbraw/zinc/49/86/33/656498633.db2.gz DXVRHEICTUGIQQ-KGLIPLIRSA-N 2 1 285.388 -0.984 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC000997868971 656500296 /nfs/dbraw/zinc/50/02/96/656500296.db2.gz XSFOXBTUIOTBGF-AAEUAGOBSA-N 2 1 296.415 -0.360 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000907448491 656507806 /nfs/dbraw/zinc/50/78/06/656507806.db2.gz OGRDWQAEGICSQD-TZMCWYRMSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907448491 656507813 /nfs/dbraw/zinc/50/78/13/656507813.db2.gz OGRDWQAEGICSQD-TZMCWYRMSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907448491 656507818 /nfs/dbraw/zinc/50/78/18/656507818.db2.gz OGRDWQAEGICSQD-TZMCWYRMSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000907448489 656508513 /nfs/dbraw/zinc/50/85/13/656508513.db2.gz OGRDWQAEGICSQD-JSGCOSHPSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907448489 656508519 /nfs/dbraw/zinc/50/85/19/656508519.db2.gz OGRDWQAEGICSQD-JSGCOSHPSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000907448489 656508524 /nfs/dbraw/zinc/50/85/24/656508524.db2.gz OGRDWQAEGICSQD-JSGCOSHPSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000907515561 656517986 /nfs/dbraw/zinc/51/79/86/656517986.db2.gz MWLQHPMIILNMEF-XQQFMLRXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000907515561 656517998 /nfs/dbraw/zinc/51/79/98/656517998.db2.gz MWLQHPMIILNMEF-XQQFMLRXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000907515561 656518005 /nfs/dbraw/zinc/51/80/05/656518005.db2.gz MWLQHPMIILNMEF-XQQFMLRXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000907515561 656518007 /nfs/dbraw/zinc/51/80/07/656518007.db2.gz MWLQHPMIILNMEF-XQQFMLRXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000907515559 656518046 /nfs/dbraw/zinc/51/80/46/656518046.db2.gz MWLQHPMIILNMEF-UPJWGTAASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000907515559 656518060 /nfs/dbraw/zinc/51/80/60/656518060.db2.gz MWLQHPMIILNMEF-UPJWGTAASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000907515559 656518063 /nfs/dbraw/zinc/51/80/63/656518063.db2.gz MWLQHPMIILNMEF-UPJWGTAASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000907515559 656518068 /nfs/dbraw/zinc/51/80/68/656518068.db2.gz MWLQHPMIILNMEF-UPJWGTAASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC[N@@H+]1CCO ZINC000907542276 656523303 /nfs/dbraw/zinc/52/33/03/656523303.db2.gz BLVWLGXJLWULJN-HIFRSBDPSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC[N@H+]1CCO ZINC000907542276 656523309 /nfs/dbraw/zinc/52/33/09/656523309.db2.gz BLVWLGXJLWULJN-HIFRSBDPSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC[NH+]1CCO ZINC000907542276 656523313 /nfs/dbraw/zinc/52/33/13/656523313.db2.gz BLVWLGXJLWULJN-HIFRSBDPSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC[NH+]1CCO ZINC000907542276 656523317 /nfs/dbraw/zinc/52/33/17/656523317.db2.gz BLVWLGXJLWULJN-HIFRSBDPSA-N 2 1 299.415 -0.642 20 0 CBADMP C[N@H+]1CCC[C@](O)(CC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000907618181 656541625 /nfs/dbraw/zinc/54/16/25/656541625.db2.gz UEKGOPRGYAHVKH-HNNXBMFYSA-N 2 1 299.415 -0.328 20 0 CBADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000907780436 656574087 /nfs/dbraw/zinc/57/40/87/656574087.db2.gz FBBLMYUKFVSGLG-BPLDGKMQSA-N 2 1 299.415 -0.643 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]CCO)C1 ZINC000999125396 656611533 /nfs/dbraw/zinc/61/15/33/656611533.db2.gz JNNYZZASSZKMCT-UHFFFAOYSA-N 2 1 266.345 -0.237 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999513264 656632124 /nfs/dbraw/zinc/63/21/24/656632124.db2.gz RSJROXANOJKGGD-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]CCO)C1 ZINC000999831922 656654466 /nfs/dbraw/zinc/65/44/66/656654466.db2.gz NVUJSDBEIGJMSS-VOMCLLRMSA-N 2 1 255.362 -0.491 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]CC(N)=O)C1 ZINC000999833601 656654476 /nfs/dbraw/zinc/65/44/76/656654476.db2.gz AAWHWSGASXQBID-KPPDAEKUSA-N 2 1 268.361 -0.998 20 0 CBADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]CC(N)=O)C1 ZINC000999833603 656656173 /nfs/dbraw/zinc/65/61/73/656656173.db2.gz AAWHWSGASXQBID-WHXUTIOJSA-N 2 1 268.361 -0.998 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)[NH+](C)C ZINC000908200584 656664952 /nfs/dbraw/zinc/66/49/52/656664952.db2.gz JSJDWLLVTVFQOS-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908202700 656667947 /nfs/dbraw/zinc/66/79/47/656667947.db2.gz JWBKJUSLSYXJNL-GFCCVEGCSA-N 2 1 266.345 -0.236 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000908201955 656669011 /nfs/dbraw/zinc/66/90/11/656669011.db2.gz NNMPTVDLKCZYEE-AVGNSLFASA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908201955 656669030 /nfs/dbraw/zinc/66/90/30/656669030.db2.gz NNMPTVDLKCZYEE-AVGNSLFASA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000908201955 656669038 /nfs/dbraw/zinc/66/90/38/656669038.db2.gz NNMPTVDLKCZYEE-AVGNSLFASA-N 2 1 267.373 -0.252 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000004677 656677039 /nfs/dbraw/zinc/67/70/39/656677039.db2.gz CTSRWCNTHVBFKO-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000004677 656677055 /nfs/dbraw/zinc/67/70/55/656677055.db2.gz CTSRWCNTHVBFKO-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001000020858 656680030 /nfs/dbraw/zinc/68/00/30/656680030.db2.gz QREWMDMEJYTBSJ-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000198845 656703490 /nfs/dbraw/zinc/70/34/90/656703490.db2.gz LMPNWRUUTBKYSX-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000908363565 656711928 /nfs/dbraw/zinc/71/19/28/656711928.db2.gz RCLLAUXHDGSHCC-YUELXQCFSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)C2)C1 ZINC000908363565 656711936 /nfs/dbraw/zinc/71/19/36/656711936.db2.gz RCLLAUXHDGSHCC-YUELXQCFSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)C2)C1 ZINC000908363565 656711944 /nfs/dbraw/zinc/71/19/44/656711944.db2.gz RCLLAUXHDGSHCC-YUELXQCFSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001000462956 656717882 /nfs/dbraw/zinc/71/78/82/656717882.db2.gz UOZYCEITWXBREL-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000908414688 656721769 /nfs/dbraw/zinc/72/17/69/656721769.db2.gz KRGDNLLYCRPTTG-CZXHOFHRSA-N 2 1 269.389 -0.008 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2=CC[NH+](CCO)CC2)C1 ZINC001000546170 656735738 /nfs/dbraw/zinc/73/57/38/656735738.db2.gz DXKJOVKUHKMZGJ-CYBMUJFWSA-N 2 1 283.372 -0.942 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC2=CC[NH+](CCO)CC2)C1 ZINC001000546170 656735756 /nfs/dbraw/zinc/73/57/56/656735756.db2.gz DXKJOVKUHKMZGJ-CYBMUJFWSA-N 2 1 283.372 -0.942 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCC2=CC[N@H+](CCO)CC2)C1 ZINC001000546170 656735774 /nfs/dbraw/zinc/73/57/74/656735774.db2.gz DXKJOVKUHKMZGJ-CYBMUJFWSA-N 2 1 283.372 -0.942 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCC2=CC[N@@H+](CCO)CC2)C1 ZINC001000546170 656735780 /nfs/dbraw/zinc/73/57/80/656735780.db2.gz DXKJOVKUHKMZGJ-CYBMUJFWSA-N 2 1 283.372 -0.942 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001001007441 656785089 /nfs/dbraw/zinc/78/50/89/656785089.db2.gz KMYIJFGCAWWGRX-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP 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 656785322 /nfs/dbraw/zinc/78/53/22/656785322.db2.gz MRAUQDPVTZZKHA-PAPYEOQZSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CC[NH+](CCO)CC1 ZINC001001151135 656801032 /nfs/dbraw/zinc/80/10/32/656801032.db2.gz LCWZJFCRQMWWHM-OCCSQVGLSA-N 2 1 281.400 -0.075 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC1=CC[N@H+](CCO)CC1 ZINC001001151135 656801033 /nfs/dbraw/zinc/80/10/33/656801033.db2.gz LCWZJFCRQMWWHM-OCCSQVGLSA-N 2 1 281.400 -0.075 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001001151135 656801037 /nfs/dbraw/zinc/80/10/37/656801037.db2.gz LCWZJFCRQMWWHM-OCCSQVGLSA-N 2 1 281.400 -0.075 20 0 CBADMP C[C@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001001278294 656806417 /nfs/dbraw/zinc/80/64/17/656806417.db2.gz JWHVVFSVUIKVJJ-JSGCOSHPSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001001278294 656806418 /nfs/dbraw/zinc/80/64/18/656806418.db2.gz JWHVVFSVUIKVJJ-JSGCOSHPSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2=CC[NH+](CCO)CC2)C1 ZINC001001463256 656811834 /nfs/dbraw/zinc/81/18/34/656811834.db2.gz RFROCUUCRMRLEL-AWEZNQCLSA-N 2 1 297.399 -0.552 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2=CC[NH+](CCO)CC2)C1 ZINC001001463256 656811837 /nfs/dbraw/zinc/81/18/37/656811837.db2.gz RFROCUUCRMRLEL-AWEZNQCLSA-N 2 1 297.399 -0.552 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC2=CC[N@H+](CCO)CC2)C1 ZINC001001463256 656811840 /nfs/dbraw/zinc/81/18/40/656811840.db2.gz RFROCUUCRMRLEL-AWEZNQCLSA-N 2 1 297.399 -0.552 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC2=CC[N@@H+](CCO)CC2)C1 ZINC001001463256 656811842 /nfs/dbraw/zinc/81/18/42/656811842.db2.gz RFROCUUCRMRLEL-AWEZNQCLSA-N 2 1 297.399 -0.552 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000909437437 656814038 /nfs/dbraw/zinc/81/40/38/656814038.db2.gz IYSILDGZLMVJNQ-UKRRQHHQSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000909437437 656814040 /nfs/dbraw/zinc/81/40/40/656814040.db2.gz IYSILDGZLMVJNQ-UKRRQHHQSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000909437437 656814043 /nfs/dbraw/zinc/81/40/43/656814043.db2.gz IYSILDGZLMVJNQ-UKRRQHHQSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000909437437 656814045 /nfs/dbraw/zinc/81/40/45/656814045.db2.gz IYSILDGZLMVJNQ-UKRRQHHQSA-N 2 1 299.415 -0.642 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001002122121 656826619 /nfs/dbraw/zinc/82/66/19/656826619.db2.gz ZJTUMDWWGRCRFJ-LBPRGKRZSA-N 2 1 282.388 -0.748 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001002475165 656835039 /nfs/dbraw/zinc/83/50/39/656835039.db2.gz KSDBALGJFUCDAV-STQMWFEESA-N 2 1 296.415 -0.075 20 0 CBADMP NC(=O)C[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003243543 656853677 /nfs/dbraw/zinc/85/36/77/656853677.db2.gz CIOAWYJZKVOVHG-UHFFFAOYSA-N 2 1 294.399 -0.319 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001003625634 656865575 /nfs/dbraw/zinc/86/55/75/656865575.db2.gz HXJHZIVQKYDZSK-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001003625634 656865577 /nfs/dbraw/zinc/86/55/77/656865577.db2.gz HXJHZIVQKYDZSK-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001003627993 656865712 /nfs/dbraw/zinc/86/57/12/656865712.db2.gz LIDCSXSNWUBWOL-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001003627614 656866137 /nfs/dbraw/zinc/86/61/37/656866137.db2.gz HISBBRYUXZCFNH-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001003627614 656866139 /nfs/dbraw/zinc/86/61/39/656866139.db2.gz HISBBRYUXZCFNH-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000910608779 656878526 /nfs/dbraw/zinc/87/85/26/656878526.db2.gz CXKLUCUTLMQQDM-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000910608779 656878528 /nfs/dbraw/zinc/87/85/28/656878528.db2.gz CXKLUCUTLMQQDM-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003975571 656879084 /nfs/dbraw/zinc/87/90/84/656879084.db2.gz UNBKCVFZHLFPLD-LLVKDONJSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004145747 656881226 /nfs/dbraw/zinc/88/12/26/656881226.db2.gz TVLRTZUZIOBTLE-MNOVXSKESA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004145747 656881229 /nfs/dbraw/zinc/88/12/29/656881229.db2.gz TVLRTZUZIOBTLE-MNOVXSKESA-N 2 1 282.388 -0.608 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004150327 656881550 /nfs/dbraw/zinc/88/15/50/656881550.db2.gz RAXFJIZNDWSXAK-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000910675967 656882999 /nfs/dbraw/zinc/88/29/99/656882999.db2.gz YZNHCGHKNNTVGJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000910675967 656883000 /nfs/dbraw/zinc/88/30/00/656883000.db2.gz YZNHCGHKNNTVGJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC(N)=O)CC1 ZINC001005181069 656894535 /nfs/dbraw/zinc/89/45/35/656894535.db2.gz VJGBGKHUCCLELD-LBPRGKRZSA-N 2 1 282.388 -0.511 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CC(N)=O)CC1 ZINC001005181069 656894536 /nfs/dbraw/zinc/89/45/36/656894536.db2.gz VJGBGKHUCCLELD-LBPRGKRZSA-N 2 1 282.388 -0.511 20 0 CBADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](CCO)CC1 ZINC001005212241 656896482 /nfs/dbraw/zinc/89/64/82/656896482.db2.gz MMBFJGUNCRBPRP-CYBMUJFWSA-N 2 1 285.388 -0.768 20 0 CBADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCO)CC1 ZINC001005212241 656896488 /nfs/dbraw/zinc/89/64/88/656896488.db2.gz MMBFJGUNCRBPRP-CYBMUJFWSA-N 2 1 285.388 -0.768 20 0 CBADMP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000910931111 656903516 /nfs/dbraw/zinc/90/35/16/656903516.db2.gz NQIZTEQMSCDRCF-CHWSQXEVSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000910931111 656903527 /nfs/dbraw/zinc/90/35/27/656903527.db2.gz NQIZTEQMSCDRCF-CHWSQXEVSA-N 2 1 281.400 -0.004 20 0 CBADMP 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 656928391 /nfs/dbraw/zinc/92/83/91/656928391.db2.gz HKYYNOFWUNRICE-LPWJVIDDSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000911007930 656928477 /nfs/dbraw/zinc/92/84/77/656928477.db2.gz LFCLZQSFQSMWNL-NDBYEHHHSA-N 2 1 296.415 -0.443 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000911006627 656928963 /nfs/dbraw/zinc/92/89/63/656928963.db2.gz GFRZISDEQLWCKK-SRVKXCTJSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C[C@H]1[NH3+] ZINC000911015592 656931120 /nfs/dbraw/zinc/93/11/20/656931120.db2.gz QKZFURZNFJMOSP-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001006000199 656935513 /nfs/dbraw/zinc/93/55/13/656935513.db2.gz FGCOIIJTUKRMDO-AAEUAGOBSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001006000199 656935521 /nfs/dbraw/zinc/93/55/21/656935521.db2.gz FGCOIIJTUKRMDO-AAEUAGOBSA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911091641 656945170 /nfs/dbraw/zinc/94/51/70/656945170.db2.gz NWZPIVXTBOWHJJ-LBPRGKRZSA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911091640 656945673 /nfs/dbraw/zinc/94/56/73/656945673.db2.gz NWZPIVXTBOWHJJ-GFCCVEGCSA-N 2 1 296.415 -0.170 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC001006403300 656946294 /nfs/dbraw/zinc/94/62/94/656946294.db2.gz ZJXLOXBJPHDCHF-LLVKDONJSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC001006403300 656946300 /nfs/dbraw/zinc/94/63/00/656946300.db2.gz ZJXLOXBJPHDCHF-LLVKDONJSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911144511 656963778 /nfs/dbraw/zinc/96/37/78/656963778.db2.gz AAYYQMACKONBOW-ZPFDUUQYSA-N 2 1 294.399 -0.561 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000911148235 656965279 /nfs/dbraw/zinc/96/52/79/656965279.db2.gz VNKLEOXSVJOLCF-SDDRHHMPSA-N 2 1 294.399 -0.323 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)[N@@H+](C)C1CC1 ZINC000911204422 656984382 /nfs/dbraw/zinc/98/43/82/656984382.db2.gz COGYEQDFEJRYAL-CMPLNLGQSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)[N@@H+](C)C1CC1 ZINC000911206660 656984749 /nfs/dbraw/zinc/98/47/49/656984749.db2.gz RVUAOJDPJNVUFJ-ZYHUDNBSSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1[NH3+] ZINC000911214500 656986654 /nfs/dbraw/zinc/98/66/54/656986654.db2.gz GHDQRLWEJVQWBG-MROQNXINSA-N 2 1 294.399 -0.465 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911255251 657000067 /nfs/dbraw/zinc/00/00/67/657000067.db2.gz JGUXNHWSYXUIDU-FRRDWIJNSA-N 2 1 296.415 -0.156 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911255900 657000080 /nfs/dbraw/zinc/00/00/80/657000080.db2.gz NVEDOEZKSULELV-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000911268718 657002777 /nfs/dbraw/zinc/00/27/77/657002777.db2.gz FGFZNSHDQWCMAN-XQHKEYJVSA-N 2 1 294.399 -0.547 20 0 CBADMP Cc1cccc(NCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[nH+]1 ZINC000911272675 657005637 /nfs/dbraw/zinc/00/56/37/657005637.db2.gz DSZSPMOSXPGBQN-LLVKDONJSA-N 2 1 291.355 -0.604 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)C[C@]2(C)C1 ZINC000911273886 657006750 /nfs/dbraw/zinc/00/67/50/657006750.db2.gz METJWWOTWQJSPU-XUJVJEKNSA-N 2 1 294.399 -0.750 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000911282186 657009102 /nfs/dbraw/zinc/00/91/02/657009102.db2.gz NOLNPAJCUJSMAC-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000911282186 657009107 /nfs/dbraw/zinc/00/91/07/657009107.db2.gz NOLNPAJCUJSMAC-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000911282456 657010099 /nfs/dbraw/zinc/01/00/99/657010099.db2.gz QUUIYEXJDDNYHI-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP CC(C)([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911298357 657014005 /nfs/dbraw/zinc/01/40/05/657014005.db2.gz QGXKYWDBVHITED-UHFFFAOYSA-N 2 1 284.404 -0.312 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C[C@]2(C)C1 ZINC000911299576 657015295 /nfs/dbraw/zinc/01/52/95/657015295.db2.gz ZYXJPXAIHDTENL-XUJVJEKNSA-N 2 1 294.399 -0.750 20 0 CBADMP 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 657018424 /nfs/dbraw/zinc/01/84/24/657018424.db2.gz OBJRLRRCOUHFIJ-MCYUEQNJSA-N 2 1 296.415 -0.362 20 0 CBADMP 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 657018607 /nfs/dbraw/zinc/01/86/07/657018607.db2.gz OBJRLRRCOUHFIJ-OXJKWZBOSA-N 2 1 296.415 -0.362 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911338122 657023296 /nfs/dbraw/zinc/02/32/96/657023296.db2.gz YEJIBDFDMGGFTG-AGIUHOORSA-N 2 1 296.415 -0.170 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911338299 657023363 /nfs/dbraw/zinc/02/33/63/657023363.db2.gz IXDWIYKJWOTRIV-UHIISALHSA-N 2 1 282.388 -0.879 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911339694 657024007 /nfs/dbraw/zinc/02/40/07/657024007.db2.gz WUIXMBDTEVZOJT-LLVKDONJSA-N 2 1 284.404 -0.441 20 0 CBADMP 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 657029136 /nfs/dbraw/zinc/02/91/36/657029136.db2.gz BYWOCDHBPNUXPN-LPWJVIDDSA-N 2 1 296.415 -0.491 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000911369912 657029279 /nfs/dbraw/zinc/02/92/79/657029279.db2.gz HGPLWDZFIBHPSY-DGCLKSJQSA-N 2 1 294.399 -0.735 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000911377550 657031875 /nfs/dbraw/zinc/03/18/75/657031875.db2.gz ADYDHPYUUQOMKR-OLZOCXBDSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000911383805 657034420 /nfs/dbraw/zinc/03/44/20/657034420.db2.gz UKYNGLSMXFGOJM-NEPJUHHUSA-N 2 1 296.415 -0.489 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911486280 657054580 /nfs/dbraw/zinc/05/45/80/657054580.db2.gz ADCAEVOVRBDHSP-AGIUHOORSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911488396 657055630 /nfs/dbraw/zinc/05/56/30/657055630.db2.gz YRCQYHWFYGUEHG-FRRDWIJNSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503180 657057766 /nfs/dbraw/zinc/05/77/66/657057766.db2.gz MLRKPPHCIQIQIM-VXGBXAGGSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911504848 657058799 /nfs/dbraw/zinc/05/87/99/657058799.db2.gz NTBQBCXXPGTJOI-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)[C@@H](C)C1 ZINC000911505387 657059855 /nfs/dbraw/zinc/05/98/55/657059855.db2.gz BXVUNCOKRQTOOS-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])CC3)CC[C@H]21 ZINC000911506599 657060195 /nfs/dbraw/zinc/06/01/95/657060195.db2.gz PMVOONGPRXKGCR-WDEREUQCSA-N 2 1 280.372 -0.854 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506531 657060428 /nfs/dbraw/zinc/06/04/28/657060428.db2.gz MXBAFNLMCLZQBT-LBPRGKRZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506531 657060433 /nfs/dbraw/zinc/06/04/33/657060433.db2.gz MXBAFNLMCLZQBT-LBPRGKRZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506530 657060962 /nfs/dbraw/zinc/06/09/62/657060962.db2.gz MXBAFNLMCLZQBT-GFCCVEGCSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506530 657060965 /nfs/dbraw/zinc/06/09/65/657060965.db2.gz MXBAFNLMCLZQBT-GFCCVEGCSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000911513034 657062485 /nfs/dbraw/zinc/06/24/85/657062485.db2.gz CAHKAWULOWEJSJ-HIFRSBDPSA-N 2 1 297.399 -0.889 20 0 CBADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000911513034 657062491 /nfs/dbraw/zinc/06/24/91/657062491.db2.gz CAHKAWULOWEJSJ-HIFRSBDPSA-N 2 1 297.399 -0.889 20 0 CBADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000911513034 657062494 /nfs/dbraw/zinc/06/24/94/657062494.db2.gz CAHKAWULOWEJSJ-HIFRSBDPSA-N 2 1 297.399 -0.889 20 0 CBADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000911513034 657062499 /nfs/dbraw/zinc/06/24/99/657062499.db2.gz CAHKAWULOWEJSJ-HIFRSBDPSA-N 2 1 297.399 -0.889 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)C1 ZINC000911531547 657068292 /nfs/dbraw/zinc/06/82/92/657068292.db2.gz HUROCAVSLOIYDZ-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000911531476 657068320 /nfs/dbraw/zinc/06/83/20/657068320.db2.gz HIMRNVWBDCACEM-LBPRGKRZSA-N 2 1 296.415 -0.358 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000911534622 657069395 /nfs/dbraw/zinc/06/93/95/657069395.db2.gz VPNHPXBXPNVRGX-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911533188 657069645 /nfs/dbraw/zinc/06/96/45/657069645.db2.gz NUKIQRYVVKZMQC-UHFFFAOYSA-N 2 1 284.404 -0.488 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911533067 657070369 /nfs/dbraw/zinc/07/03/69/657070369.db2.gz NBNVOIXIYJQXLV-HAQNSBGRSA-N 2 1 296.415 -0.312 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911540898 657073712 /nfs/dbraw/zinc/07/37/12/657073712.db2.gz BHQXFIPIWGIZPQ-CYZMBNFOSA-N 2 1 294.399 -0.452 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911552553 657076449 /nfs/dbraw/zinc/07/64/49/657076449.db2.gz YXLJQCPRXPRMSY-WISYIIOYSA-N 2 1 280.372 -0.794 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911560277 657078443 /nfs/dbraw/zinc/07/84/43/657078443.db2.gz MNYXXVQIWCFJNT-JOCQHMNTSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911562364 657079155 /nfs/dbraw/zinc/07/91/55/657079155.db2.gz ACTYBBAMQSBVBJ-GMTAPVOTSA-N 2 1 268.361 -0.950 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000911829742 657142381 /nfs/dbraw/zinc/14/23/81/657142381.db2.gz UTFXTRYPVYIDKZ-SFDCQRBFSA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000911829742 657142387 /nfs/dbraw/zinc/14/23/87/657142387.db2.gz UTFXTRYPVYIDKZ-SFDCQRBFSA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000911829742 657142392 /nfs/dbraw/zinc/14/23/92/657142392.db2.gz UTFXTRYPVYIDKZ-SFDCQRBFSA-N 2 1 281.400 -0.148 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)[C@H]1CCCC[NH+]1C ZINC000912607427 657296611 /nfs/dbraw/zinc/29/66/11/657296611.db2.gz UTRPXKXWTCYPQX-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000912607427 657296612 /nfs/dbraw/zinc/29/66/12/657296612.db2.gz UTRPXKXWTCYPQX-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)[C@H]1CCCC[N@H+]1C ZINC000912607427 657296618 /nfs/dbraw/zinc/29/66/18/657296618.db2.gz UTRPXKXWTCYPQX-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)CCO)[NH+](C)C ZINC000912606677 657295758 /nfs/dbraw/zinc/29/57/58/657295758.db2.gz JXTCEAYWJSABIN-LBPRGKRZSA-N 2 1 259.394 -0.045 20 0 CBADMP C[C@@H](C(=O)N(C)CC[N@H+](C)CCO)[NH+]1CCSCC1 ZINC000912606938 657296828 /nfs/dbraw/zinc/29/68/28/657296828.db2.gz IUOWVIPBJOGZLA-LBPRGKRZSA-N 2 1 289.445 -0.194 20 0 CBADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)CCO)[NH+]1CCSCC1 ZINC000912606938 657296836 /nfs/dbraw/zinc/29/68/36/657296836.db2.gz IUOWVIPBJOGZLA-LBPRGKRZSA-N 2 1 289.445 -0.194 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2CO)CC[N@@H+]1C ZINC000912739042 657327918 /nfs/dbraw/zinc/32/79/18/657327918.db2.gz OOBYRBKGJKLCCP-RWMBFGLXSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2CO)CC[N@H+]1C ZINC000912739042 657327920 /nfs/dbraw/zinc/32/79/20/657327920.db2.gz OOBYRBKGJKLCCP-RWMBFGLXSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)CC[NH+]1C ZINC000912739042 657327924 /nfs/dbraw/zinc/32/79/24/657327924.db2.gz OOBYRBKGJKLCCP-RWMBFGLXSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC[NH+]1C ZINC000912739042 657327928 /nfs/dbraw/zinc/32/79/28/657327928.db2.gz OOBYRBKGJKLCCP-RWMBFGLXSA-N 2 1 269.389 -0.148 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C2)n1 ZINC001014463116 657360828 /nfs/dbraw/zinc/36/08/28/657360828.db2.gz TVKOEOKCFIZBSB-LBPRGKRZSA-N 2 1 295.387 -0.759 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)CC[N@H+]1C ZINC001014499801 657363237 /nfs/dbraw/zinc/36/32/37/657363237.db2.gz FVAQRWHYBBPCCY-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CCO)C2)CC[NH+]1C ZINC001014499801 657363248 /nfs/dbraw/zinc/36/32/48/657363248.db2.gz FVAQRWHYBBPCCY-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001014499801 657363251 /nfs/dbraw/zinc/36/32/51/657363251.db2.gz FVAQRWHYBBPCCY-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)CC[N@H+]1C ZINC001014481994 657363276 /nfs/dbraw/zinc/36/32/76/657363276.db2.gz BUPYXFCVFGEMLS-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CCCO)C2)CC[NH+]1C ZINC001014481994 657363282 /nfs/dbraw/zinc/36/32/82/657363282.db2.gz BUPYXFCVFGEMLS-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)CC[NH+]1C ZINC001014481994 657363287 /nfs/dbraw/zinc/36/32/87/657363287.db2.gz BUPYXFCVFGEMLS-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC000912993220 657364725 /nfs/dbraw/zinc/36/47/25/657364725.db2.gz UDMBEQMRCLQIAO-LBPRGKRZSA-N 2 1 294.399 -0.462 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC[N@@H+]1C ZINC000913182978 657403231 /nfs/dbraw/zinc/40/32/31/657403231.db2.gz CKZNBNMMAFLVCU-OUCADQQQSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC[N@H+]1C ZINC000913182978 657403236 /nfs/dbraw/zinc/40/32/36/657403236.db2.gz CKZNBNMMAFLVCU-OUCADQQQSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)CC[N@@H+]1C ZINC000913182985 657403159 /nfs/dbraw/zinc/40/31/59/657403159.db2.gz CKZNBNMMAFLVCU-SCRDCRAPSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)CC[N@H+]1C ZINC000913182985 657403162 /nfs/dbraw/zinc/40/31/62/657403162.db2.gz CKZNBNMMAFLVCU-SCRDCRAPSA-N 2 1 285.388 -0.816 20 0 CBADMP CC1CC[NH+](CC(=O)NC[C@]2(CO)COCC[NH2+]2)CC1 ZINC000913186918 657413769 /nfs/dbraw/zinc/41/37/69/657413769.db2.gz QRAPJFVUKNUDLB-AWEZNQCLSA-N 2 1 285.388 -0.815 20 0 CBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913190823 657419157 /nfs/dbraw/zinc/41/91/57/657419157.db2.gz NBUGHORPXYLQNU-TZMCWYRMSA-N 2 1 285.388 -0.672 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913190823 657419174 /nfs/dbraw/zinc/41/91/74/657419174.db2.gz NBUGHORPXYLQNU-TZMCWYRMSA-N 2 1 285.388 -0.672 20 0 CBADMP C[N@H+]1CCC[C@](O)(CC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000913351628 657444506 /nfs/dbraw/zinc/44/45/06/657444506.db2.gz JHGUZFLGPWLRST-JSGCOSHPSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCC[C@](O)(CC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000913351628 657444509 /nfs/dbraw/zinc/44/45/09/657444509.db2.gz JHGUZFLGPWLRST-JSGCOSHPSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCC[C@](O)(CC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000913351628 657444512 /nfs/dbraw/zinc/44/45/12/657444512.db2.gz JHGUZFLGPWLRST-JSGCOSHPSA-N 2 1 285.388 -0.984 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000913426952 657450078 /nfs/dbraw/zinc/45/00/78/657450078.db2.gz HHQJSCOYXGDEMK-YWPYICTPSA-N 2 1 299.415 -0.597 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000913426952 657450091 /nfs/dbraw/zinc/45/00/91/657450091.db2.gz HHQJSCOYXGDEMK-YWPYICTPSA-N 2 1 299.415 -0.597 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000913426952 657450098 /nfs/dbraw/zinc/45/00/98/657450098.db2.gz HHQJSCOYXGDEMK-YWPYICTPSA-N 2 1 299.415 -0.597 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000913426952 657450110 /nfs/dbraw/zinc/45/01/10/657450110.db2.gz HHQJSCOYXGDEMK-YWPYICTPSA-N 2 1 299.415 -0.597 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CC[N@H+](CCO)C1)CC2 ZINC001015619612 657480517 /nfs/dbraw/zinc/48/05/17/657480517.db2.gz BFZHYRMZYWZRBP-OLZOCXBDSA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CC[N@@H+](CCO)C1)CC2 ZINC001015619612 657480521 /nfs/dbraw/zinc/48/05/21/657480521.db2.gz BFZHYRMZYWZRBP-OLZOCXBDSA-N 2 1 292.383 -0.063 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](C)[C@@H](CO)C2)C1 ZINC000913541982 657502655 /nfs/dbraw/zinc/50/26/55/657502655.db2.gz ZNXSTGGVIJIANY-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+](C)[C@@H](CO)C2)C1 ZINC000913541982 657502663 /nfs/dbraw/zinc/50/26/63/657502663.db2.gz ZNXSTGGVIJIANY-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC000913541982 657502668 /nfs/dbraw/zinc/50/26/68/657502668.db2.gz ZNXSTGGVIJIANY-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC000913541982 657502675 /nfs/dbraw/zinc/50/26/75/657502675.db2.gz ZNXSTGGVIJIANY-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+](C)[C@H](CO)C2)C1 ZINC000913541981 657503746 /nfs/dbraw/zinc/50/37/46/657503746.db2.gz ZNXSTGGVIJIANY-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH+](C)[C@H](CO)C2)C1 ZINC000913541981 657503754 /nfs/dbraw/zinc/50/37/54/657503754.db2.gz ZNXSTGGVIJIANY-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC000913541981 657503757 /nfs/dbraw/zinc/50/37/57/657503757.db2.gz ZNXSTGGVIJIANY-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC000913541981 657503765 /nfs/dbraw/zinc/50/37/65/657503765.db2.gz ZNXSTGGVIJIANY-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001015655227 657504001 /nfs/dbraw/zinc/50/40/01/657504001.db2.gz LTLJAIDTRJNWGE-LBPRGKRZSA-N 2 1 255.362 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015651066 657504271 /nfs/dbraw/zinc/50/42/71/657504271.db2.gz BTYLAQSCWIEZJQ-WCQYABFASA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015651066 657504284 /nfs/dbraw/zinc/50/42/84/657504284.db2.gz BTYLAQSCWIEZJQ-WCQYABFASA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001015649632 657505028 /nfs/dbraw/zinc/50/50/28/657505028.db2.gz WPEJKZICEPQCRP-OLZOCXBDSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001015649632 657505022 /nfs/dbraw/zinc/50/50/22/657505022.db2.gz WPEJKZICEPQCRP-OLZOCXBDSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001015705083 657524539 /nfs/dbraw/zinc/52/45/39/657524539.db2.gz HTVMGUMVEPIJGZ-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001015705083 657524549 /nfs/dbraw/zinc/52/45/49/657524549.db2.gz HTVMGUMVEPIJGZ-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001015705083 657524560 /nfs/dbraw/zinc/52/45/60/657524560.db2.gz HTVMGUMVEPIJGZ-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)NCCCN1CCOCC1 ZINC000913836309 657621940 /nfs/dbraw/zinc/62/19/40/657621940.db2.gz OIDWWBIOGFTBOY-LBPRGKRZSA-N 2 1 270.377 -0.288 20 0 CBADMP CN1CC[C@H]1CNC(=O)NCCCN1CCOCC1 ZINC000913836309 657621945 /nfs/dbraw/zinc/62/19/45/657621945.db2.gz OIDWWBIOGFTBOY-LBPRGKRZSA-N 2 1 270.377 -0.288 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001015997457 657626968 /nfs/dbraw/zinc/62/69/68/657626968.db2.gz CNJRUUVFOWUZJA-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001015997457 657626977 /nfs/dbraw/zinc/62/69/77/657626977.db2.gz CNJRUUVFOWUZJA-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001015997457 657626987 /nfs/dbraw/zinc/62/69/87/657626987.db2.gz CNJRUUVFOWUZJA-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001015997667 657628625 /nfs/dbraw/zinc/62/86/25/657628625.db2.gz FRXVQVASELTKPX-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](CCO)C2)C1 ZINC001015997667 657628628 /nfs/dbraw/zinc/62/86/28/657628628.db2.gz FRXVQVASELTKPX-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001015997667 657628630 /nfs/dbraw/zinc/62/86/30/657628630.db2.gz FRXVQVASELTKPX-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004496 657631794 /nfs/dbraw/zinc/63/17/94/657631794.db2.gz XYOLBWXPZXXQMH-NWDGAFQWSA-N 2 1 267.373 -0.347 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001016258896 657673375 /nfs/dbraw/zinc/67/33/75/657673375.db2.gz ABMDLJDAVIRQNS-LBPRGKRZSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001016258896 657673388 /nfs/dbraw/zinc/67/33/88/657673388.db2.gz ABMDLJDAVIRQNS-LBPRGKRZSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001016259752 657674979 /nfs/dbraw/zinc/67/49/79/657674979.db2.gz JPUUSLXUSAXTDP-LLVKDONJSA-N 2 1 252.318 -0.626 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001016259752 657674993 /nfs/dbraw/zinc/67/49/93/657674993.db2.gz JPUUSLXUSAXTDP-LLVKDONJSA-N 2 1 252.318 -0.626 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001016260766 657676703 /nfs/dbraw/zinc/67/67/03/657676703.db2.gz SCRPDZPGDHHGSV-CMPLNLGQSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001016260766 657676715 /nfs/dbraw/zinc/67/67/15/657676715.db2.gz SCRPDZPGDHHGSV-CMPLNLGQSA-N 2 1 266.345 -0.237 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001016543376 657718224 /nfs/dbraw/zinc/71/82/24/657718224.db2.gz PDVPHEXHVJIIQT-NWDGAFQWSA-N 2 1 294.399 -0.463 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000916332811 657771650 /nfs/dbraw/zinc/77/16/50/657771650.db2.gz ZKIGGXVOFBWXDG-NWDGAFQWSA-N 2 1 272.393 -0.044 20 0 CBADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000916332811 657771659 /nfs/dbraw/zinc/77/16/59/657771659.db2.gz ZKIGGXVOFBWXDG-NWDGAFQWSA-N 2 1 272.393 -0.044 20 0 CBADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000916332811 657771668 /nfs/dbraw/zinc/77/16/68/657771668.db2.gz ZKIGGXVOFBWXDG-NWDGAFQWSA-N 2 1 272.393 -0.044 20 0 CBADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CC[C@H]([NH2+]CCO)C1 ZINC001018964598 657855729 /nfs/dbraw/zinc/85/57/29/657855729.db2.gz IQXIGNIBHSTWGI-RYUDHWBXSA-N 2 1 278.356 -0.057 20 0 CBADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[C@H]([NH2+]CCO)C1 ZINC001018964597 657855968 /nfs/dbraw/zinc/85/59/68/657855968.db2.gz IQXIGNIBHSTWGI-NWDGAFQWSA-N 2 1 278.356 -0.057 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019152640 657866442 /nfs/dbraw/zinc/86/64/42/657866442.db2.gz DSBARYKHXXGFNW-RYUDHWBXSA-N 2 1 291.355 -0.729 20 0 CBADMP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)C[NH+]1CCN(C)CC1 ZINC000920453111 657875997 /nfs/dbraw/zinc/87/59/97/657875997.db2.gz XRFGZMUGOHJROK-KGLIPLIRSA-N 2 1 297.447 -0.127 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H]([NH2+]CCO)C1)CC2 ZINC001019299116 657880318 /nfs/dbraw/zinc/88/03/18/657880318.db2.gz BSVRHDIUFKUAAK-STQMWFEESA-N 2 1 292.383 -0.063 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019380651 657891617 /nfs/dbraw/zinc/89/16/17/657891617.db2.gz IEAUDZSGOPOCLK-MNOVXSKESA-N 2 1 268.361 -0.854 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]([NH2+]CCO)C1)C2 ZINC001019383965 657891789 /nfs/dbraw/zinc/89/17/89/657891789.db2.gz QOQCHOJSRYTBSV-STQMWFEESA-N 2 1 292.383 -0.063 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1)[NH+](C)C ZINC001019395044 657893423 /nfs/dbraw/zinc/89/34/23/657893423.db2.gz XVRMBJGCDGMJGK-AAEUAGOBSA-N 2 1 294.403 -0.154 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001019772817 657937925 /nfs/dbraw/zinc/93/79/25/657937925.db2.gz SJZHXXBQODSPJD-OLZOCXBDSA-N 2 1 292.387 -0.580 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001019771542 657938852 /nfs/dbraw/zinc/93/88/52/657938852.db2.gz RMZVBROKJHZKBX-STQMWFEESA-N 2 1 294.399 -0.639 20 0 CBADMP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001020026172 657985821 /nfs/dbraw/zinc/98/58/21/657985821.db2.gz JOBLXINGKZYVOS-GVXVVHGQSA-N 2 1 292.387 -0.354 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001020025724 657987544 /nfs/dbraw/zinc/98/75/44/657987544.db2.gz ZUCGNRIHGFBDDS-SRVKXCTJSA-N 2 1 292.387 -0.354 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001020029172 657988922 /nfs/dbraw/zinc/98/89/22/657988922.db2.gz WYJMYXSSKCTCSG-NHCYSSNCSA-N 2 1 279.344 -0.099 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001020029172 657988935 /nfs/dbraw/zinc/98/89/35/657988935.db2.gz WYJMYXSSKCTCSG-NHCYSSNCSA-N 2 1 279.344 -0.099 20 0 CBADMP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC001020028559 657992303 /nfs/dbraw/zinc/99/23/03/657992303.db2.gz CLDPZTYMWPRUDL-LPWJVIDDSA-N 2 1 294.399 -0.452 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCF)C2)C1 ZINC001020046181 657997789 /nfs/dbraw/zinc/99/77/89/657997789.db2.gz WVHZYYSYHNWKLP-GMTAPVOTSA-N 2 1 259.325 -0.477 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCF)C2)C1 ZINC001020046181 657997793 /nfs/dbraw/zinc/99/77/93/657997793.db2.gz WVHZYYSYHNWKLP-GMTAPVOTSA-N 2 1 259.325 -0.477 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001020143752 658017769 /nfs/dbraw/zinc/01/77/69/658017769.db2.gz CUIBSZQGWVKMAL-ZDEQEGDKSA-N 2 1 296.415 -0.030 20 0 CBADMP 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 658021869 /nfs/dbraw/zinc/02/18/69/658021869.db2.gz KCLDKVUBBFUTQL-VEGXAWMVSA-N 2 1 294.399 -0.548 20 0 CBADMP 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 658022103 /nfs/dbraw/zinc/02/21/03/658022103.db2.gz NXYKGGLUUJVEER-SYLRKERUSA-N 2 1 296.415 -0.173 20 0 CBADMP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001020406921 658047651 /nfs/dbraw/zinc/04/76/51/658047651.db2.gz GDCAPIOKBXUHBX-XWRJPITESA-N 2 1 295.383 -0.921 20 0 CBADMP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001020406922 658048065 /nfs/dbraw/zinc/04/80/65/658048065.db2.gz GDCAPIOKBXUHBX-YGFYLSKRSA-N 2 1 295.383 -0.921 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1)CC2 ZINC001020520697 658063347 /nfs/dbraw/zinc/06/33/47/658063347.db2.gz UBTMFLHMBYFCCC-JHJVBQTASA-N 2 1 292.383 -0.017 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1)CC2 ZINC001020520696 658063647 /nfs/dbraw/zinc/06/36/47/658063647.db2.gz UBTMFLHMBYFCCC-AVGNSLFASA-N 2 1 292.383 -0.017 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020590307 658075385 /nfs/dbraw/zinc/07/53/85/658075385.db2.gz RRFGRQKQTAFYMZ-KKOKHZNYSA-N 2 1 255.362 -0.587 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)C(N)=O ZINC001020587858 658076233 /nfs/dbraw/zinc/07/62/33/658076233.db2.gz XIXZKVLBCXZPQZ-ZDEQEGDKSA-N 2 1 296.415 -0.029 20 0 CBADMP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001021047398 658134137 /nfs/dbraw/zinc/13/41/37/658134137.db2.gz BLIVNTZFCLPURV-IJLUTSLNSA-N 2 1 292.387 -0.496 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001021047709 658134373 /nfs/dbraw/zinc/13/43/73/658134373.db2.gz MGFXMIQPCDJXIH-SRVKXCTJSA-N 2 1 292.387 -0.496 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001021047709 658134390 /nfs/dbraw/zinc/13/43/90/658134390.db2.gz MGFXMIQPCDJXIH-SRVKXCTJSA-N 2 1 292.387 -0.496 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001021044039 658135228 /nfs/dbraw/zinc/13/52/28/658135228.db2.gz IKLWJSLLCJWZFC-AVGNSLFASA-N 2 1 292.387 -0.533 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001021047461 658138349 /nfs/dbraw/zinc/13/83/49/658138349.db2.gz DPZISFOFMXPMKM-ZDEQEGDKSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021049323 658140179 /nfs/dbraw/zinc/14/01/79/658140179.db2.gz MEJJGVAIJFVQHX-WRWGMCAJSA-N 2 1 255.362 -0.444 20 0 CBADMP CSC[C@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000923282215 658193009 /nfs/dbraw/zinc/19/30/09/658193009.db2.gz STXVNWBAUYAFMP-WDEREUQCSA-N 2 1 275.418 -0.503 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001021211273 658158878 /nfs/dbraw/zinc/15/88/78/658158878.db2.gz UGVXJFONDFYTOO-PSEXLTFBSA-N 2 1 294.399 -0.323 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001021211273 658158891 /nfs/dbraw/zinc/15/88/91/658158891.db2.gz UGVXJFONDFYTOO-PSEXLTFBSA-N 2 1 294.399 -0.323 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001021211273 658158898 /nfs/dbraw/zinc/15/88/98/658158898.db2.gz UGVXJFONDFYTOO-PSEXLTFBSA-N 2 1 294.399 -0.323 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280922 658188188 /nfs/dbraw/zinc/18/81/88/658188188.db2.gz KCZNMRBFCLLEGG-QWHCGFSZSA-N 3 1 296.415 -0.848 20 0 CBADMP CCOC[C@H](O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283953 658189859 /nfs/dbraw/zinc/18/98/59/658189859.db2.gz ZPNXPXOORKFDMM-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CN1CC(=O)N(CC[N@@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000923294279 658193641 /nfs/dbraw/zinc/19/36/41/658193641.db2.gz JEFWESHJSIHGHY-UHFFFAOYSA-N 2 1 256.350 -0.203 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923288123 658193810 /nfs/dbraw/zinc/19/38/10/658193810.db2.gz XQKFOGXHUNHPNI-CYBMUJFWSA-N 3 1 268.405 -0.798 20 0 CBADMP CN1CC(=O)N(CC[NH2+][C@@](C)(C[NH3+])C2CC2)C1=O ZINC000923296043 658195309 /nfs/dbraw/zinc/19/53/09/658195309.db2.gz NOKPRZYILDRKPY-LBPRGKRZSA-N 2 1 254.334 -0.403 20 0 CBADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCN1C(=O)CN(C)C1=O ZINC000923296161 658195535 /nfs/dbraw/zinc/19/55/35/658195535.db2.gz ODVPWXQHWMBZEI-GFCCVEGCSA-N 2 1 256.350 -0.157 20 0 CBADMP C[N@@H+](CC(=O)NC1CC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923302714 658197302 /nfs/dbraw/zinc/19/73/02/658197302.db2.gz UVYWRIOSANOBTH-NSHDSACASA-N 2 1 253.346 -0.425 20 0 CBADMP C[N@H+](CC(=O)NC1CC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923302714 658197317 /nfs/dbraw/zinc/19/73/17/658197317.db2.gz UVYWRIOSANOBTH-NSHDSACASA-N 2 1 253.346 -0.425 20 0 CBADMP COCC[N@H+](CC(=O)N(C)C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303998 658198587 /nfs/dbraw/zinc/19/85/87/658198587.db2.gz ANZCIUCHGQNKOD-LBPRGKRZSA-N 2 1 285.388 -0.599 20 0 CBADMP COCC[N@@H+](CC(=O)N(C)C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303998 658198578 /nfs/dbraw/zinc/19/85/78/658198578.db2.gz ANZCIUCHGQNKOD-LBPRGKRZSA-N 2 1 285.388 -0.599 20 0 CBADMP COCC(=O)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923301209 658199574 /nfs/dbraw/zinc/19/95/74/658199574.db2.gz QICOJBGFTLSQTK-LBPRGKRZSA-N 2 1 283.372 -0.845 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306185 658202446 /nfs/dbraw/zinc/20/24/46/658202446.db2.gz HXLFSJWJJAQANP-MNOVXSKESA-N 2 1 253.346 -0.425 20 0 CBADMP O=C1NCCN1[C@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309161 658204172 /nfs/dbraw/zinc/20/41/72/658204172.db2.gz SUNWDJRPLNLFCJ-QWHCGFSZSA-N 2 1 294.399 -0.146 20 0 CBADMP O[C@@H](Cn1cccn1)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923334547 658220852 /nfs/dbraw/zinc/22/08/52/658220852.db2.gz VWPIHPYLTQYGSA-CHWSQXEVSA-N 2 1 250.346 -0.071 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000923334717 658222232 /nfs/dbraw/zinc/22/22/32/658222232.db2.gz XZABDAMQMGMUOM-AXFHLTTASA-N 2 1 266.345 -0.451 20 0 CBADMP CN1CC(=O)N(CC[N@@H+](C)[C@H]2CCC[NH2+]CC2)C1=O ZINC000923335915 658222286 /nfs/dbraw/zinc/22/22/86/658222286.db2.gz SBMHTTXQWGLBLV-NSHDSACASA-N 2 1 268.361 -0.046 20 0 CBADMP C[N@H+](C[C@H](O)C[NH3+])C[C@H](O)COc1ccc(F)cc1 ZINC000923367106 658232689 /nfs/dbraw/zinc/23/26/89/658232689.db2.gz RZOXODRMJOTCPU-NEPJUHHUSA-N 2 1 272.320 -0.183 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H](O)COc1ccc(F)cc1 ZINC000923367106 658232721 /nfs/dbraw/zinc/23/27/21/658232721.db2.gz RZOXODRMJOTCPU-NEPJUHHUSA-N 2 1 272.320 -0.183 20 0 CBADMP C[N@@H+](C[C@@H](O)COc1ccccc1F)C[C@@H](O)C[NH3+] ZINC000923365531 658232777 /nfs/dbraw/zinc/23/27/77/658232777.db2.gz FRECFYWDKCNYOS-WDEREUQCSA-N 2 1 272.320 -0.183 20 0 CBADMP C[N@H+](C[C@@H](O)COc1ccccc1F)C[C@@H](O)C[NH3+] ZINC000923365531 658232803 /nfs/dbraw/zinc/23/28/03/658232803.db2.gz FRECFYWDKCNYOS-WDEREUQCSA-N 2 1 272.320 -0.183 20 0 CBADMP CSC[C@@H](O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923366236 658235142 /nfs/dbraw/zinc/23/51/42/658235142.db2.gz IGXNHQLJPPQGRO-RYUDHWBXSA-N 2 1 259.419 -0.310 20 0 CBADMP C[N@@H+](C[C@@H](O)COC[C@H]1CCCO1)C1CC([NH3+])C1 ZINC000923363662 658236901 /nfs/dbraw/zinc/23/69/01/658236901.db2.gz XINMYCFVTBONLB-FIYWTHMPSA-N 2 1 258.362 -0.036 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@H](O)COc1ccc(F)cc1 ZINC000923367109 658237227 /nfs/dbraw/zinc/23/72/27/658237227.db2.gz RZOXODRMJOTCPU-RYUDHWBXSA-N 2 1 272.320 -0.183 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H](O)COc1ccc(F)cc1 ZINC000923367109 658237235 /nfs/dbraw/zinc/23/72/35/658237235.db2.gz RZOXODRMJOTCPU-RYUDHWBXSA-N 2 1 272.320 -0.183 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000923371056 658241738 /nfs/dbraw/zinc/24/17/38/658241738.db2.gz UTIJOLBFRUALEO-QWHCGFSZSA-N 2 1 273.421 -0.097 20 0 CBADMP Cn1cc(CN2CCC[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cn1 ZINC000923370225 658242117 /nfs/dbraw/zinc/24/21/17/658242117.db2.gz SLZJTNFZPTURHN-KKUMJFAQSA-N 2 1 293.415 -0.222 20 0 CBADMP Cn1cc(C[N@@H+]2CCCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cn1 ZINC000923370225 658242140 /nfs/dbraw/zinc/24/21/40/658242140.db2.gz SLZJTNFZPTURHN-KKUMJFAQSA-N 2 1 293.415 -0.222 20 0 CBADMP Cn1cc(C[N@H+]2CCCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cn1 ZINC000923370225 658242168 /nfs/dbraw/zinc/24/21/68/658242168.db2.gz SLZJTNFZPTURHN-KKUMJFAQSA-N 2 1 293.415 -0.222 20 0 CBADMP CCC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923372277 658243634 /nfs/dbraw/zinc/24/36/34/658243634.db2.gz YVOMZNZEESXDKY-NWDGAFQWSA-N 2 1 267.373 -0.035 20 0 CBADMP CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923372277 658243641 /nfs/dbraw/zinc/24/36/41/658243641.db2.gz YVOMZNZEESXDKY-NWDGAFQWSA-N 2 1 267.373 -0.035 20 0 CBADMP COCCOC[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000923369196 658243727 /nfs/dbraw/zinc/24/37/27/658243727.db2.gz IKDNHJUXGZAUCD-YVECIDJPSA-N 2 1 260.378 -0.014 20 0 CBADMP CC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923386235 658249960 /nfs/dbraw/zinc/24/99/60/658249960.db2.gz LQBZEYJJHHFNBD-VXGBXAGGSA-N 2 1 253.346 -0.425 20 0 CBADMP c1cn(C[C@@H]2CC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)nn1 ZINC000923387600 658250966 /nfs/dbraw/zinc/25/09/66/658250966.db2.gz WWDXUVSJHMAPBA-OLZOCXBDSA-N 2 1 277.372 -0.022 20 0 CBADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394897 658253890 /nfs/dbraw/zinc/25/38/90/658253890.db2.gz NGZPTBKARQOSBC-ZYHUDNBSSA-N 2 1 253.346 -0.438 20 0 CBADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394896 658255793 /nfs/dbraw/zinc/25/57/93/658255793.db2.gz NGZPTBKARQOSBC-PWSUYJOCSA-N 2 1 253.346 -0.438 20 0 CBADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923398021 658256445 /nfs/dbraw/zinc/25/64/45/658256445.db2.gz IOZKXHZXDSAZLE-XQQFMLRXSA-N 2 1 258.362 -0.177 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923398021 658256459 /nfs/dbraw/zinc/25/64/59/658256459.db2.gz IOZKXHZXDSAZLE-XQQFMLRXSA-N 2 1 258.362 -0.177 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H](C)O1 ZINC000923402034 658259683 /nfs/dbraw/zinc/25/96/83/658259683.db2.gz SNYIQMQXRWLRMI-UTUOFQBUSA-N 2 1 284.356 -0.373 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H](C)O1 ZINC000923402034 658259704 /nfs/dbraw/zinc/25/97/04/658259704.db2.gz SNYIQMQXRWLRMI-UTUOFQBUSA-N 2 1 284.356 -0.373 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC000923403255 658261021 /nfs/dbraw/zinc/26/10/21/658261021.db2.gz OTZHZIIQZSXSGQ-GFCCVEGCSA-N 2 1 256.350 -0.588 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413866 658268366 /nfs/dbraw/zinc/26/83/66/658268366.db2.gz JBWFIVRWCSVRIR-YTWAJWBKSA-N 2 1 255.318 -0.766 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000923419486 658269767 /nfs/dbraw/zinc/26/97/67/658269767.db2.gz AVYCKABTUPJHTN-WOPDTQHZSA-N 2 1 259.394 -0.359 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)[C@H]12 ZINC000923413493 658271099 /nfs/dbraw/zinc/27/10/99/658271099.db2.gz DZQFTJFZJQMINA-XQQFMLRXSA-N 2 1 295.383 -0.656 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)[C@H]12 ZINC000923413493 658271101 /nfs/dbraw/zinc/27/11/01/658271101.db2.gz DZQFTJFZJQMINA-XQQFMLRXSA-N 2 1 295.383 -0.656 20 0 CBADMP NC(=O)Cc1cccc2c1CC[N@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923414977 658271283 /nfs/dbraw/zinc/27/12/83/658271283.db2.gz XPRPEDBWASTVDX-QEJZJMRPSA-N 2 1 289.379 -0.077 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000923416026 658271690 /nfs/dbraw/zinc/27/16/90/658271690.db2.gz KEWFKWPFAMRICR-BFHYXJOUSA-N 2 1 271.405 -0.248 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923419483 658272155 /nfs/dbraw/zinc/27/21/55/658272155.db2.gz AVYCKABTUPJHTN-GRYCIOLGSA-N 2 1 259.394 -0.359 20 0 CBADMP O=C1NCC[C@@H]2CCC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)[C@H]12 ZINC000923426209 658273482 /nfs/dbraw/zinc/27/34/82/658273482.db2.gz LSJCVHPCCNSARE-AVGNSLFASA-N 2 1 279.384 -0.035 20 0 CBADMP COC(=O)N[C@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923428970 658274612 /nfs/dbraw/zinc/27/46/12/658274612.db2.gz UXPNXABLDZEFEL-WDEREUQCSA-N 2 1 269.345 -0.205 20 0 CBADMP 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 658277202 /nfs/dbraw/zinc/27/72/02/658277202.db2.gz KKIYEPGQRNWGFB-XALSLBCYSA-N 2 1 268.357 -0.032 20 0 CBADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462844 658290258 /nfs/dbraw/zinc/29/02/58/658290258.db2.gz BROPKVPPIYUALM-LLVKDONJSA-N 2 1 299.419 -0.506 20 0 CBADMP CC(C)N1CC[C@H](N2CC[NH2+]CC[NH2+]CC2)C1=O ZINC000923460535 658290794 /nfs/dbraw/zinc/29/07/94/658290794.db2.gz FBBIENYIHIMMLC-LBPRGKRZSA-N 2 1 254.378 -0.510 20 0 CBADMP C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923466189 658295709 /nfs/dbraw/zinc/29/57/09/658295709.db2.gz VBXABMOJWIWKES-KBPBESRZSA-N 2 1 282.432 -0.014 20 0 CBADMP COCCCNC(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923463848 658297034 /nfs/dbraw/zinc/29/70/34/658297034.db2.gz HOHCAARGBNPJJQ-GFCCVEGCSA-N 2 1 272.393 -0.978 20 0 CBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)N1CCCCC1 ZINC000923466398 658298112 /nfs/dbraw/zinc/29/81/12/658298112.db2.gz XVFRVKMOSHFGLM-UHFFFAOYSA-N 2 1 254.378 -0.506 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)N1CCC[C@]([NH3+])(CO)C1 ZINC000923474377 658301706 /nfs/dbraw/zinc/30/17/06/658301706.db2.gz HESSOWGRHPZXFH-CHWSQXEVSA-N 2 1 257.378 -0.507 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497064 658307000 /nfs/dbraw/zinc/30/70/00/658307000.db2.gz KQBYJMGXVDBNTJ-NWDGAFQWSA-N 2 1 285.388 -0.075 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1)C(=O)N(C)C ZINC000923493637 658307464 /nfs/dbraw/zinc/30/74/64/658307464.db2.gz UJDNWMDKFLTBCP-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923490703 658308950 /nfs/dbraw/zinc/30/89/50/658308950.db2.gz FHEGYGZEIGASPQ-RWMBFGLXSA-N 2 1 260.378 -0.073 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923503461 658310287 /nfs/dbraw/zinc/31/02/87/658310287.db2.gz IUWCJDSCKHZBIO-GXTWGEPZSA-N 2 1 296.415 -0.406 20 0 CBADMP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923513345 658310558 /nfs/dbraw/zinc/31/05/58/658310558.db2.gz OYZVVSBLTVHVFL-GMTAPVOTSA-N 2 1 286.376 -0.626 20 0 CBADMP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923513345 658310566 /nfs/dbraw/zinc/31/05/66/658310566.db2.gz OYZVVSBLTVHVFL-GMTAPVOTSA-N 2 1 286.376 -0.626 20 0 CBADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923503967 658310720 /nfs/dbraw/zinc/31/07/20/658310720.db2.gz MYENMLZMRLGOGK-VHSXEESVSA-N 2 1 256.350 -0.251 20 0 CBADMP O[C@@H](Cn1cccn1)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516533 658313335 /nfs/dbraw/zinc/31/33/35/658313335.db2.gz JDGXOEWZVVAKPY-YNEHKIRRSA-N 2 1 250.346 -0.215 20 0 CBADMP O=S(=O)(NCC[N@@H+]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000923585772 658340774 /nfs/dbraw/zinc/34/07/74/658340774.db2.gz WDZKHMGHNZGQMK-UHFFFAOYSA-N 2 1 295.408 -0.064 20 0 CBADMP O=S(=O)(NCC[N@H+]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000923585772 658340788 /nfs/dbraw/zinc/34/07/88/658340788.db2.gz WDZKHMGHNZGQMK-UHFFFAOYSA-N 2 1 295.408 -0.064 20 0 CBADMP O=S(=O)(N[C@H]1CC[N@@H+](CC2CC2)C1)C1C[NH2+]C1 ZINC000923607964 658349043 /nfs/dbraw/zinc/34/90/43/658349043.db2.gz FWITYTBXKKXJRL-JTQLQIEISA-N 2 1 259.375 -0.638 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923627665 658360740 /nfs/dbraw/zinc/36/07/40/658360740.db2.gz LCWUNNFKAGDHHZ-JQWIXIFHSA-N 2 1 288.417 -0.791 20 0 CBADMP C[C@H]1C[C@H](NS(=O)(=O)N2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000923627255 658360775 /nfs/dbraw/zinc/36/07/75/658360775.db2.gz YXXIMZKEETZNAW-QWRGUYRKSA-N 2 1 288.417 -0.649 20 0 CBADMP O=S(=O)(C1C[NH2+]C1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000923648854 658374560 /nfs/dbraw/zinc/37/45/60/658374560.db2.gz VUFLWAXWVUKYOQ-ZDUSSCGKSA-N 2 1 281.381 -0.066 20 0 CBADMP O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000958214926 658590121 /nfs/dbraw/zinc/59/01/21/658590121.db2.gz OSSVGURRCJMOGM-CHWSQXEVSA-N 2 1 297.399 -0.984 20 0 CBADMP C[NH+](C)C[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](CC3CC3)C2)C1=O ZINC000924592499 658614175 /nfs/dbraw/zinc/61/41/75/658614175.db2.gz RSCHYGDMOZDKED-NEPJUHHUSA-N 2 1 280.372 -0.047 20 0 CBADMP C[C@@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)[N@@H+](C)C1CC1 ZINC000924582189 658615352 /nfs/dbraw/zinc/61/53/52/658615352.db2.gz JBUVLFYQRNHPEN-ONGXEEELSA-N 2 1 268.361 -0.049 20 0 CBADMP COCC[N@H+]1CC[C@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000924598439 658620292 /nfs/dbraw/zinc/62/02/92/658620292.db2.gz DFGKXOSOPCLKAS-QWRGUYRKSA-N 2 1 284.360 -0.811 20 0 CBADMP C[C@@H]1COC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000924945640 658667611 /nfs/dbraw/zinc/66/76/11/658667611.db2.gz JEKFRPYDKKLGSF-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP O=C(NC[C@H]1C[N@H+](CC2CC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958591004 658668148 /nfs/dbraw/zinc/66/81/48/658668148.db2.gz DYQAVZPXAVXBTA-UONOGXRCSA-N 2 1 293.411 -0.099 20 0 CBADMP C[C@H]1COC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000924945638 658670040 /nfs/dbraw/zinc/67/00/40/658670040.db2.gz JEKFRPYDKKLGSF-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2C)CCC1 ZINC000924979013 658684811 /nfs/dbraw/zinc/68/48/11/658684811.db2.gz CXRUXWZYADYUFH-GHMZBOCLSA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000924990501 658712792 /nfs/dbraw/zinc/71/27/92/658712792.db2.gz GVTKARSVFGUOBK-SCRDCRAPSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+]1C[C@H](O)C[C@H]1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000924990501 658712803 /nfs/dbraw/zinc/71/28/03/658712803.db2.gz GVTKARSVFGUOBK-SCRDCRAPSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+]1C[C@H](O)C[C@H]1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000924990501 658712823 /nfs/dbraw/zinc/71/28/23/658712823.db2.gz GVTKARSVFGUOBK-SCRDCRAPSA-N 2 1 285.388 -0.986 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC000959918085 658756352 /nfs/dbraw/zinc/75/63/52/658756352.db2.gz FCBWFMUHCPLWOB-KBXIAJHMSA-N 2 1 293.411 -0.243 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1CCCc2[nH+]ccn21 ZINC000960272431 658802393 /nfs/dbraw/zinc/80/23/93/658802393.db2.gz FLXJAXDSMZKRNX-KZVDOYCCSA-N 2 1 290.367 -0.201 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1CCCc2[nH+]ccn21 ZINC000960272431 658802397 /nfs/dbraw/zinc/80/23/97/658802397.db2.gz FLXJAXDSMZKRNX-KZVDOYCCSA-N 2 1 290.367 -0.201 20 0 CBADMP COCC[N@@H+](C)CCCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000925286128 658816078 /nfs/dbraw/zinc/81/60/78/658816078.db2.gz HCOPQMBYQMSODJ-NSHDSACASA-N 2 1 286.376 -0.563 20 0 CBADMP C[C@H]1[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000925346771 658832083 /nfs/dbraw/zinc/83/20/83/658832083.db2.gz VTQBGVDFIAZQQN-QJPTWQEYSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@H]1[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000925346771 658832085 /nfs/dbraw/zinc/83/20/85/658832085.db2.gz VTQBGVDFIAZQQN-QJPTWQEYSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@H]1[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000925346771 658832087 /nfs/dbraw/zinc/83/20/87/658832087.db2.gz VTQBGVDFIAZQQN-QJPTWQEYSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000961766824 658833303 /nfs/dbraw/zinc/83/33/03/658833303.db2.gz VUBBHGXDCQNENO-CXTNEJHOSA-N 2 1 281.400 -0.243 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC000961766824 658833307 /nfs/dbraw/zinc/83/33/07/658833307.db2.gz VUBBHGXDCQNENO-CXTNEJHOSA-N 2 1 281.400 -0.243 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC000961766824 658833310 /nfs/dbraw/zinc/83/33/10/658833310.db2.gz VUBBHGXDCQNENO-CXTNEJHOSA-N 2 1 281.400 -0.243 20 0 CBADMP C[N@@H+](CCO)C1CCN(C(=O)NC[C@@H]2CC[NH+]2C)CC1 ZINC000925414688 658841718 /nfs/dbraw/zinc/84/17/18/658841718.db2.gz AZIGKNINCHHEFH-ZDUSSCGKSA-N 2 1 284.404 -0.211 20 0 CBADMP C[NH+](CCO)C1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000925414688 658841724 /nfs/dbraw/zinc/84/17/24/658841724.db2.gz AZIGKNINCHHEFH-ZDUSSCGKSA-N 2 1 284.404 -0.211 20 0 CBADMP C[NH+](CCO)C1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000925414688 658841726 /nfs/dbraw/zinc/84/17/26/658841726.db2.gz AZIGKNINCHHEFH-ZDUSSCGKSA-N 2 1 284.404 -0.211 20 0 CBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925412731 658842110 /nfs/dbraw/zinc/84/21/10/658842110.db2.gz XMOWSMHIXYREBW-ZDUSSCGKSA-N 3 1 285.436 -0.175 20 0 CBADMP CN1CC[C@H]1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000925412731 658842116 /nfs/dbraw/zinc/84/21/16/658842116.db2.gz XMOWSMHIXYREBW-ZDUSSCGKSA-N 2 1 285.436 -0.175 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000925412944 658842177 /nfs/dbraw/zinc/84/21/77/658842177.db2.gz DXGXYTQZXWHHOX-CMPLNLGQSA-N 2 1 256.350 -0.944 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000925412944 658842183 /nfs/dbraw/zinc/84/21/83/658842183.db2.gz DXGXYTQZXWHHOX-CMPLNLGQSA-N 2 1 256.350 -0.944 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000925412944 658842185 /nfs/dbraw/zinc/84/21/85/658842185.db2.gz DXGXYTQZXWHHOX-CMPLNLGQSA-N 2 1 256.350 -0.944 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000925412947 658842559 /nfs/dbraw/zinc/84/25/59/658842559.db2.gz DXGXYTQZXWHHOX-PWSUYJOCSA-N 2 1 256.350 -0.944 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000925412947 658842560 /nfs/dbraw/zinc/84/25/60/658842560.db2.gz DXGXYTQZXWHHOX-PWSUYJOCSA-N 2 1 256.350 -0.944 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000925412947 658842564 /nfs/dbraw/zinc/84/25/64/658842564.db2.gz DXGXYTQZXWHHOX-PWSUYJOCSA-N 2 1 256.350 -0.944 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[C@H](O)C[NH+]1C ZINC000925431193 658851101 /nfs/dbraw/zinc/85/11/01/658851101.db2.gz FAYBYFBCEBHNER-VWYCJHECSA-N 2 1 256.350 -0.945 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C ZINC000925431193 658851104 /nfs/dbraw/zinc/85/11/04/658851104.db2.gz FAYBYFBCEBHNER-VWYCJHECSA-N 2 1 256.350 -0.945 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1C ZINC000925431193 658851106 /nfs/dbraw/zinc/85/11/06/658851106.db2.gz FAYBYFBCEBHNER-VWYCJHECSA-N 2 1 256.350 -0.945 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@H]1C[C@H](O)C[NH+]1C ZINC000925431191 658852059 /nfs/dbraw/zinc/85/20/59/658852059.db2.gz FAYBYFBCEBHNER-MXWKQRLJSA-N 2 1 256.350 -0.945 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1C ZINC000925431191 658852065 /nfs/dbraw/zinc/85/20/65/658852065.db2.gz FAYBYFBCEBHNER-MXWKQRLJSA-N 2 1 256.350 -0.945 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1C[C@H](O)C[N@H+]1C ZINC000925431191 658852071 /nfs/dbraw/zinc/85/20/71/658852071.db2.gz FAYBYFBCEBHNER-MXWKQRLJSA-N 2 1 256.350 -0.945 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925477735 658855222 /nfs/dbraw/zinc/85/52/22/658855222.db2.gz LTEGOIMFODSLIJ-CHWSQXEVSA-N 2 1 257.378 -0.325 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H]2C[NH2+]CCOC2)C1 ZINC000925496661 658856495 /nfs/dbraw/zinc/85/64/95/658856495.db2.gz RTRKHFBGHYSCHF-OLZOCXBDSA-N 2 1 284.404 -0.848 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925513565 658856696 /nfs/dbraw/zinc/85/66/96/658856696.db2.gz KBPZBPGJCIRRHH-KGLIPLIRSA-N 2 1 271.405 -0.079 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000962553807 658856856 /nfs/dbraw/zinc/85/68/56/658856856.db2.gz HNBCSDLHFPZDCM-KZVDOYCCSA-N 2 1 292.383 -0.983 20 0 CBADMP CN1CCC([N@@H+]2CC[C@H](N[C@@H]3C[NH2+]CCOC3)C2)CC1 ZINC000925482156 658856884 /nfs/dbraw/zinc/85/68/84/658856884.db2.gz LWMQVUXTVAVUJW-UONOGXRCSA-N 2 1 282.432 -0.267 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](N[C@@H]3C[NH2+]CCOC3)C2)CC1 ZINC000925482156 658856887 /nfs/dbraw/zinc/85/68/87/658856887.db2.gz LWMQVUXTVAVUJW-UONOGXRCSA-N 2 1 282.432 -0.267 20 0 CBADMP CC(=O)N1CCN(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925547235 658859800 /nfs/dbraw/zinc/85/98/00/658859800.db2.gz MOAXWARCGPUSEC-ZVDSWSACSA-N 2 1 292.427 -0.264 20 0 CBADMP C[NH+]1CCN(C(=O)CN[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925618213 658862151 /nfs/dbraw/zinc/86/21/51/658862151.db2.gz UWZXVYQQJJOAIH-LLVKDONJSA-N 2 1 254.378 -0.510 20 0 CBADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CNCCOC1 ZINC000925609849 658862427 /nfs/dbraw/zinc/86/24/27/658862427.db2.gz WMRBJNVJLOLOQY-UONOGXRCSA-N 2 1 271.405 -0.199 20 0 CBADMP OC[C@H]1CCC[N@@H+]1CCCCN[C@H]1C[NH2+]CCOC1 ZINC000925609849 658862429 /nfs/dbraw/zinc/86/24/29/658862429.db2.gz WMRBJNVJLOLOQY-UONOGXRCSA-N 2 1 271.405 -0.199 20 0 CBADMP OC[C@H]1CCC[N@H+]1CCCCN[C@H]1C[NH2+]CCOC1 ZINC000925609849 658862433 /nfs/dbraw/zinc/86/24/33/658862433.db2.gz WMRBJNVJLOLOQY-UONOGXRCSA-N 2 1 271.405 -0.199 20 0 CBADMP [NH3+][C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C12CCC2 ZINC000925693767 658865663 /nfs/dbraw/zinc/86/56/63/658865663.db2.gz RQQKDUFNBIIJEM-GHMZBOCLSA-N 3 1 252.362 -0.722 20 0 CBADMP O[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)Cn1ccnn1 ZINC000925686160 658866096 /nfs/dbraw/zinc/86/60/96/658866096.db2.gz QDHOZLJAQAWPMH-NURVWSNCSA-N 2 1 263.345 -0.775 20 0 CBADMP [NH3+][C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C12CCC2 ZINC000925693771 658866207 /nfs/dbraw/zinc/86/62/07/658866207.db2.gz RQQKDUFNBIIJEM-MNOVXSKESA-N 3 1 252.362 -0.722 20 0 CBADMP 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 658867760 /nfs/dbraw/zinc/86/77/60/658867760.db2.gz TZYVLVIKNFDFLI-GMDXDWKASA-N 2 1 251.374 -0.361 20 0 CBADMP O=C1OC[C@]2(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)COCCN12 ZINC000925735549 658868907 /nfs/dbraw/zinc/86/89/07/658868907.db2.gz VWHLYAGNWDNZHP-YTTQYIQMSA-N 2 1 293.367 -0.206 20 0 CBADMP C([NH2+][C@H]1CNCCOC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000925732518 658869197 /nfs/dbraw/zinc/86/91/97/658869197.db2.gz YKFDMRKEGDBIGD-STQMWFEESA-N 2 1 269.389 -0.277 20 0 CBADMP CN(C)S(=O)(=O)C1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000925776321 658870904 /nfs/dbraw/zinc/87/09/04/658870904.db2.gz WUBHUTJRSZADOQ-ZJUUUORDSA-N 2 1 261.391 -0.120 20 0 CBADMP O=C1NCCN1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925777972 658871056 /nfs/dbraw/zinc/87/10/56/658871056.db2.gz SAAHIDUMVRTTMB-RNWYCLNJSA-N 2 1 250.346 -0.402 20 0 CBADMP O=C1NCCN1CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925777971 658871183 /nfs/dbraw/zinc/87/11/83/658871183.db2.gz SAAHIDUMVRTTMB-NGDQXYMTSA-N 2 1 250.346 -0.402 20 0 CBADMP C(C[N@H+]1CCC[C@H](N[C@@H]2CC[NH2+]C2)C1)N1CCOCC1 ZINC000925769665 658871186 /nfs/dbraw/zinc/87/11/86/658871186.db2.gz QJASUQXOMGYIOX-CABCVRRESA-N 2 1 282.432 -0.266 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC2[C@@H]3CC[C@H]2C[NH+](C)C3)C1 ZINC000926174927 658888557 /nfs/dbraw/zinc/88/85/57/658888557.db2.gz TVYNIXXFIHOXCQ-PIGZVRMJSA-N 2 1 253.390 -0.017 20 0 CBADMP C[NH+]1CC[C@](O)(CNC2[C@@H]3CC[C@H]2C[N@@H+](C)C3)C1 ZINC000926174927 658888559 /nfs/dbraw/zinc/88/85/59/658888559.db2.gz TVYNIXXFIHOXCQ-PIGZVRMJSA-N 2 1 253.390 -0.017 20 0 CBADMP C[NH+]1CC[C@](O)(CNC2[C@@H]3CC[C@H]2C[N@H+](C)C3)C1 ZINC000926174927 658888561 /nfs/dbraw/zinc/88/85/61/658888561.db2.gz TVYNIXXFIHOXCQ-PIGZVRMJSA-N 2 1 253.390 -0.017 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@@H]1C ZINC000926344986 658895411 /nfs/dbraw/zinc/89/54/11/658895411.db2.gz AMCCNOARBKPXCY-YVECIDJPSA-N 2 1 296.415 -0.267 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@@H]1C ZINC000926344986 658895415 /nfs/dbraw/zinc/89/54/15/658895415.db2.gz AMCCNOARBKPXCY-YVECIDJPSA-N 2 1 296.415 -0.267 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1(C)C ZINC000926394691 658899553 /nfs/dbraw/zinc/89/95/53/658899553.db2.gz IJKSXKGPBVGXQX-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1(C)C ZINC000926394691 658899556 /nfs/dbraw/zinc/89/95/56/658899556.db2.gz IJKSXKGPBVGXQX-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@H]1[NH3+] ZINC000926418565 658899789 /nfs/dbraw/zinc/89/97/89/658899789.db2.gz KDOSEHSCFBFXIW-JMSVASOKSA-N 2 1 294.399 -0.654 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000926442624 658899963 /nfs/dbraw/zinc/89/99/63/658899963.db2.gz IMGIIZQPZVHNLP-STQMWFEESA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000926442624 658899969 /nfs/dbraw/zinc/89/99/69/658899969.db2.gz IMGIIZQPZVHNLP-STQMWFEESA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968549656 658931301 /nfs/dbraw/zinc/93/13/01/658931301.db2.gz VMQBPKMBGOGHRC-QWHCGFSZSA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)CN1CCCC1 ZINC000968652138 658937304 /nfs/dbraw/zinc/93/73/04/658937304.db2.gz PIBBTNZJPHCRGG-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000968652138 658937309 /nfs/dbraw/zinc/93/73/09/658937309.db2.gz PIBBTNZJPHCRGG-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC000969588978 659006451 /nfs/dbraw/zinc/00/64/51/659006451.db2.gz UTRPUPJJVYBZKO-HBNTYKKESA-N 2 1 268.361 -0.855 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928559535 659042910 /nfs/dbraw/zinc/04/29/10/659042910.db2.gz ZLKKVGGVMKSWBY-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970367181 659051438 /nfs/dbraw/zinc/05/14/38/659051438.db2.gz PCOMYQDCMVPPTR-WDEREUQCSA-N 2 1 296.415 -0.362 20 0 CBADMP Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000970717192 659069817 /nfs/dbraw/zinc/06/98/17/659069817.db2.gz KUOYRKNGXRUFGE-GFCCVEGCSA-N 2 1 292.387 -0.399 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCCO)C1 ZINC000970879109 659074664 /nfs/dbraw/zinc/07/46/64/659074664.db2.gz RQQVOBRXLXOSHF-RYUDHWBXSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000971673551 659095934 /nfs/dbraw/zinc/09/59/34/659095934.db2.gz HHJMSWVMBIXQAN-VXGBXAGGSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972231496 659110380 /nfs/dbraw/zinc/11/03/80/659110380.db2.gz GEYNNQWZEVVCPW-WCQYABFASA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH+](C)CCO)C1 ZINC000972333875 659114024 /nfs/dbraw/zinc/11/40/24/659114024.db2.gz YGMNYGBAJOSLDS-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000972333875 659114041 /nfs/dbraw/zinc/11/40/41/659114041.db2.gz YGMNYGBAJOSLDS-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000972333875 659114053 /nfs/dbraw/zinc/11/40/53/659114053.db2.gz YGMNYGBAJOSLDS-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+](C)CC(N)=O)C2)C1 ZINC000972332125 659115438 /nfs/dbraw/zinc/11/54/38/659115438.db2.gz AWYAYJIJJJCJTG-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH+](C)CC(N)=O)C2)C1 ZINC000972332125 659115441 /nfs/dbraw/zinc/11/54/41/659115441.db2.gz AWYAYJIJJJCJTG-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)C1 ZINC000972332125 659115442 /nfs/dbraw/zinc/11/54/42/659115442.db2.gz AWYAYJIJJJCJTG-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC000972332125 659115444 /nfs/dbraw/zinc/11/54/44/659115444.db2.gz AWYAYJIJJJCJTG-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000929401416 659121460 /nfs/dbraw/zinc/12/14/60/659121460.db2.gz JREGIVKZNNKTQO-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000929401416 659121474 /nfs/dbraw/zinc/12/14/74/659121474.db2.gz JREGIVKZNNKTQO-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](C[C@H](O)CO)CC1 ZINC000929426984 659123309 /nfs/dbraw/zinc/12/33/09/659123309.db2.gz PNRWLRBTPOKIII-KKUMJFAQSA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929428049 659123349 /nfs/dbraw/zinc/12/33/49/659123349.db2.gz PNRWLRBTPOKIII-QLFBSQMISA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929428049 659123356 /nfs/dbraw/zinc/12/33/56/659123356.db2.gz PNRWLRBTPOKIII-QLFBSQMISA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@H](O)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C[C@H](C)O ZINC000929706835 659162358 /nfs/dbraw/zinc/16/23/58/659162358.db2.gz SPDHNXVYSWKHNO-SRVKXCTJSA-N 2 1 275.393 -0.884 20 0 CBADMP C[C@H](O)C[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)C[C@H](C)O ZINC000929706835 659162364 /nfs/dbraw/zinc/16/23/64/659162364.db2.gz SPDHNXVYSWKHNO-SRVKXCTJSA-N 2 1 275.393 -0.884 20 0 CBADMP C[C@H](O)C[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)C[C@H](C)O ZINC000929706835 659162371 /nfs/dbraw/zinc/16/23/71/659162371.db2.gz SPDHNXVYSWKHNO-SRVKXCTJSA-N 2 1 275.393 -0.884 20 0 CBADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000929929754 659187362 /nfs/dbraw/zinc/18/73/62/659187362.db2.gz QZSDZEYLIFEDCJ-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000929929754 659187367 /nfs/dbraw/zinc/18/73/67/659187367.db2.gz QZSDZEYLIFEDCJ-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000929929754 659187372 /nfs/dbraw/zinc/18/73/72/659187372.db2.gz QZSDZEYLIFEDCJ-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000929929754 659187382 /nfs/dbraw/zinc/18/73/82/659187382.db2.gz QZSDZEYLIFEDCJ-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2C[C@@H](O)CO ZINC000930059290 659201293 /nfs/dbraw/zinc/20/12/93/659201293.db2.gz CLHGNRTZPAETPE-FVCCEPFGSA-N 2 1 258.362 -0.477 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2C[C@@H](O)CO ZINC000930059293 659201440 /nfs/dbraw/zinc/20/14/40/659201440.db2.gz CLHGNRTZPAETPE-NDBYEHHHSA-N 2 1 258.362 -0.477 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000980412472 659268646 /nfs/dbraw/zinc/26/86/46/659268646.db2.gz KGYZJLTYWFCTKG-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C[N@@H+]1C1CC1 ZINC000930480147 659293999 /nfs/dbraw/zinc/29/39/99/659293999.db2.gz PNPYMCCNFKHSKN-WZRBSPASSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C[N@H+]1C1CC1 ZINC000930480147 659294025 /nfs/dbraw/zinc/29/40/25/659294025.db2.gz PNPYMCCNFKHSKN-WZRBSPASSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C[NH+]1C1CC1 ZINC000930480147 659294049 /nfs/dbraw/zinc/29/40/49/659294049.db2.gz PNPYMCCNFKHSKN-WZRBSPASSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C[NH+]1C1CC1 ZINC000930480147 659294063 /nfs/dbraw/zinc/29/40/63/659294063.db2.gz PNPYMCCNFKHSKN-WZRBSPASSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000980893889 659299424 /nfs/dbraw/zinc/29/94/24/659299424.db2.gz QNEAFWXMAVGKTM-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP O=C([C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC[N@H+](CCO)CC1 ZINC000981208701 659310735 /nfs/dbraw/zinc/31/07/35/659310735.db2.gz BOKBUZLGUFSEIJ-KGLIPLIRSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[NH+](CCO)CC1 ZINC000981208701 659310739 /nfs/dbraw/zinc/31/07/39/659310739.db2.gz BOKBUZLGUFSEIJ-KGLIPLIRSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C([C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[NH+](CCO)CC1 ZINC000981208701 659310741 /nfs/dbraw/zinc/31/07/41/659310741.db2.gz BOKBUZLGUFSEIJ-KGLIPLIRSA-N 2 1 297.399 -0.624 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000981440394 659318819 /nfs/dbraw/zinc/31/88/19/659318819.db2.gz VTWQLHCFOWGLLA-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000981440394 659318821 /nfs/dbraw/zinc/31/88/21/659318821.db2.gz VTWQLHCFOWGLLA-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H](O)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000981440394 659318825 /nfs/dbraw/zinc/31/88/25/659318825.db2.gz VTWQLHCFOWGLLA-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H](O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000981440394 659318828 /nfs/dbraw/zinc/31/88/28/659318828.db2.gz VTWQLHCFOWGLLA-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000930715193 659327619 /nfs/dbraw/zinc/32/76/19/659327619.db2.gz GCQUHQZTPIWLHV-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)[C@@H](C)C[N@H+]1CCO ZINC000930744348 659334261 /nfs/dbraw/zinc/33/42/61/659334261.db2.gz VQLNOQCPMNOYIQ-QLFBSQMISA-N 2 1 285.432 -0.170 20 0 CBADMP CNC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000930748673 659336006 /nfs/dbraw/zinc/33/60/06/659336006.db2.gz ZCWWIHVUNMUGLN-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H](O)[C@H](O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823717 659344492 /nfs/dbraw/zinc/34/44/92/659344492.db2.gz TUPNFTMVZZQTMC-VXGBXAGGSA-N 2 1 258.362 -0.475 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC000985120644 659373052 /nfs/dbraw/zinc/37/30/52/659373052.db2.gz WOBYIJTWFKLVPW-ZDEQEGDKSA-N 2 1 294.399 -0.689 20 0 CBADMP C[N@@H+](CC(N)=O)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000985498512 659387258 /nfs/dbraw/zinc/38/72/58/659387258.db2.gz LFTSFFAJBSHPEV-CYBMUJFWSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000985498512 659387262 /nfs/dbraw/zinc/38/72/62/659387262.db2.gz LFTSFFAJBSHPEV-CYBMUJFWSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000985498512 659387264 /nfs/dbraw/zinc/38/72/64/659387264.db2.gz LFTSFFAJBSHPEV-CYBMUJFWSA-N 2 1 296.415 -0.121 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC000985539376 659389178 /nfs/dbraw/zinc/38/91/78/659389178.db2.gz LDLYWLUKTYXSMR-UHFFFAOYSA-N 2 1 293.371 -0.400 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC000985539376 659389180 /nfs/dbraw/zinc/38/91/80/659389180.db2.gz LDLYWLUKTYXSMR-UHFFFAOYSA-N 2 1 293.371 -0.400 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC000985647007 659394887 /nfs/dbraw/zinc/39/48/87/659394887.db2.gz NBMWEFVIBFMRDW-LBPRGKRZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC000985647007 659394895 /nfs/dbraw/zinc/39/48/95/659394895.db2.gz NBMWEFVIBFMRDW-LBPRGKRZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC000985647007 659394902 /nfs/dbraw/zinc/39/49/02/659394902.db2.gz NBMWEFVIBFMRDW-LBPRGKRZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCC(=O)NC(N)=O)C[C@H]21 ZINC000931279885 659425322 /nfs/dbraw/zinc/42/53/22/659425322.db2.gz RZDNEQRHDDKCCK-JZYVYDRUSA-N 2 1 254.334 -0.547 20 0 CBADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCC(=O)NC(N)=O)C[C@H]21 ZINC000931279885 659425332 /nfs/dbraw/zinc/42/53/32/659425332.db2.gz RZDNEQRHDDKCCK-JZYVYDRUSA-N 2 1 254.334 -0.547 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCc2[nH+]ccc(N)c2C1 ZINC000931516819 659479390 /nfs/dbraw/zinc/47/93/90/659479390.db2.gz BLFABQHNWUIAJO-LBPRGKRZSA-N 2 1 294.399 -0.039 20 0 CBADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000931874923 659536340 /nfs/dbraw/zinc/53/63/40/659536340.db2.gz RDSYPHJYSNKIBQ-CYBMUJFWSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000931874923 659536351 /nfs/dbraw/zinc/53/63/51/659536351.db2.gz RDSYPHJYSNKIBQ-CYBMUJFWSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)C(C)C ZINC000931875906 659538671 /nfs/dbraw/zinc/53/86/71/659538671.db2.gz UIWBODKHHHQVNJ-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)C(C)C ZINC000931875906 659538677 /nfs/dbraw/zinc/53/86/77/659538677.db2.gz UIWBODKHHHQVNJ-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)C(C)C ZINC000931875906 659538686 /nfs/dbraw/zinc/53/86/86/659538686.db2.gz UIWBODKHHHQVNJ-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C(C)C ZINC000931875906 659538689 /nfs/dbraw/zinc/53/86/89/659538689.db2.gz UIWBODKHHHQVNJ-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931878675 659538836 /nfs/dbraw/zinc/53/88/36/659538836.db2.gz SLAZZPJQBAKBCX-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931878675 659538841 /nfs/dbraw/zinc/53/88/41/659538841.db2.gz SLAZZPJQBAKBCX-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931883817 659549639 /nfs/dbraw/zinc/54/96/39/659549639.db2.gz UTSVTUAPXAEUSA-NSHDSACASA-N 2 1 270.377 -0.783 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931883817 659549648 /nfs/dbraw/zinc/54/96/48/659549648.db2.gz UTSVTUAPXAEUSA-NSHDSACASA-N 2 1 270.377 -0.783 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](C3OCCO3)C2)CC1 ZINC000932002598 659563091 /nfs/dbraw/zinc/56/30/91/659563091.db2.gz YITYNONWXRNZMD-ZDUSSCGKSA-N 2 1 297.399 -0.155 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](C3OCCO3)C2)CC1 ZINC000932002598 659563103 /nfs/dbraw/zinc/56/31/03/659563103.db2.gz YITYNONWXRNZMD-ZDUSSCGKSA-N 2 1 297.399 -0.155 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000989482428 659590766 /nfs/dbraw/zinc/59/07/66/659590766.db2.gz CJOXJJZJBYLCGS-ZDUSSCGKSA-N 2 1 269.389 -0.145 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000989482428 659590771 /nfs/dbraw/zinc/59/07/71/659590771.db2.gz CJOXJJZJBYLCGS-ZDUSSCGKSA-N 2 1 269.389 -0.145 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC000989482428 659590775 /nfs/dbraw/zinc/59/07/75/659590775.db2.gz CJOXJJZJBYLCGS-ZDUSSCGKSA-N 2 1 269.389 -0.145 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989660951 659606890 /nfs/dbraw/zinc/60/68/90/659606890.db2.gz CYXXSWVTFIUYMG-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989660951 659606894 /nfs/dbraw/zinc/60/68/94/659606894.db2.gz CYXXSWVTFIUYMG-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989660951 659606899 /nfs/dbraw/zinc/60/68/99/659606899.db2.gz CYXXSWVTFIUYMG-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989660951 659606902 /nfs/dbraw/zinc/60/69/02/659606902.db2.gz CYXXSWVTFIUYMG-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@H]1C(=O)NCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000933228585 659694776 /nfs/dbraw/zinc/69/47/76/659694776.db2.gz AOTGRLFPYYPOPM-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[C@H]1C(=O)NCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000933228585 659694782 /nfs/dbraw/zinc/69/47/82/659694782.db2.gz AOTGRLFPYYPOPM-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC000990278439 659711817 /nfs/dbraw/zinc/71/18/17/659711817.db2.gz SFKBNHMEISGYNF-STQMWFEESA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC000990278437 659711849 /nfs/dbraw/zinc/71/18/49/659711849.db2.gz SFKBNHMEISGYNF-OLZOCXBDSA-N 2 1 296.415 -0.075 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933755294 659737623 /nfs/dbraw/zinc/73/76/23/659737623.db2.gz JCAYKTSCBXXXRS-YDHLFZDLSA-N 2 1 299.415 -0.487 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933755294 659737625 /nfs/dbraw/zinc/73/76/25/659737625.db2.gz JCAYKTSCBXXXRS-YDHLFZDLSA-N 2 1 299.415 -0.487 20 0 CBADMP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933755294 659737629 /nfs/dbraw/zinc/73/76/29/659737629.db2.gz JCAYKTSCBXXXRS-YDHLFZDLSA-N 2 1 299.415 -0.487 20 0 CBADMP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933755294 659737632 /nfs/dbraw/zinc/73/76/32/659737632.db2.gz JCAYKTSCBXXXRS-YDHLFZDLSA-N 2 1 299.415 -0.487 20 0 CBADMP CC[N@@H+](CCC(=O)NC)CC(=O)NC1CC[NH+](C)CC1 ZINC000933861065 659743249 /nfs/dbraw/zinc/74/32/49/659743249.db2.gz PJRCIWFJPXMQAV-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCF)CC2)C1 ZINC000990570495 659763067 /nfs/dbraw/zinc/76/30/67/659763067.db2.gz OUOZAQKSFFNNEL-GFCCVEGCSA-N 2 1 273.352 -0.133 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCF)CC2)C1 ZINC000990570495 659763077 /nfs/dbraw/zinc/76/30/77/659763077.db2.gz OUOZAQKSFFNNEL-GFCCVEGCSA-N 2 1 273.352 -0.133 20 0 CBADMP OCC[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H](O)C[NH+]1CCCC1 ZINC000934257065 659792820 /nfs/dbraw/zinc/79/28/20/659792820.db2.gz GAAMHZSHLJZISI-XHSDSOJGSA-N 2 1 297.443 -0.026 20 0 CBADMP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000935498170 659833821 /nfs/dbraw/zinc/83/38/21/659833821.db2.gz DMLKCTIUSLOMCV-CYBMUJFWSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC000935498170 659833822 /nfs/dbraw/zinc/83/38/22/659833822.db2.gz DMLKCTIUSLOMCV-CYBMUJFWSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995551475 659901557 /nfs/dbraw/zinc/90/15/57/659901557.db2.gz NEQYWHPDPBPILM-WDEREUQCSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)O1 ZINC000995959716 659920583 /nfs/dbraw/zinc/92/05/83/659920583.db2.gz RXRJJVOOFMDVHZ-JHJVBQTASA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)O1 ZINC000995959716 659920587 /nfs/dbraw/zinc/92/05/87/659920587.db2.gz RXRJJVOOFMDVHZ-JHJVBQTASA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170782 659934217 /nfs/dbraw/zinc/93/42/17/659934217.db2.gz UQFUBFBJTXNYKQ-NWDGAFQWSA-N 2 1 294.399 -0.606 20 0 CBADMP C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170782 659934219 /nfs/dbraw/zinc/93/42/19/659934219.db2.gz UQFUBFBJTXNYKQ-NWDGAFQWSA-N 2 1 294.399 -0.606 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944167971 659934482 /nfs/dbraw/zinc/93/44/82/659934482.db2.gz HECIMKRMHSUKHE-STQMWFEESA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170783 659934508 /nfs/dbraw/zinc/93/45/08/659934508.db2.gz UQFUBFBJTXNYKQ-RYUDHWBXSA-N 2 1 294.399 -0.606 20 0 CBADMP C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170783 659934510 /nfs/dbraw/zinc/93/45/10/659934510.db2.gz UQFUBFBJTXNYKQ-RYUDHWBXSA-N 2 1 294.399 -0.606 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(N)=O ZINC000947685935 659960420 /nfs/dbraw/zinc/96/04/20/659960420.db2.gz QMGLZBFFVFZOGF-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(N)=O ZINC000947685935 659960421 /nfs/dbraw/zinc/96/04/21/659960421.db2.gz QMGLZBFFVFZOGF-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCO[C@@H]2CN(c3ncnc4c3CC[NH2+]CC4)C[C@@H]21 ZINC001164666297 719370076 /nfs/dbraw/zinc/37/00/76/719370076.db2.gz DRBVEVYVRLBQCL-UONOGXRCSA-N 2 1 289.383 -0.316 20 0 CBADMP C[N@H+]1CCO[C@@H]2CN(c3ncnc4c3CC[NH2+]C4)C[C@@H]21 ZINC001164672580 719380954 /nfs/dbraw/zinc/38/09/54/719380954.db2.gz YPTMQXDUMUXSHM-QWHCGFSZSA-N 2 1 275.356 -0.359 20 0 CBADMP CC(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838952 805637575 /nfs/dbraw/zinc/63/75/75/805637575.db2.gz UIAXSTITFZBZRY-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838952 805637578 /nfs/dbraw/zinc/63/75/78/805637578.db2.gz UIAXSTITFZBZRY-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076838952 805637582 /nfs/dbraw/zinc/63/75/82/805637582.db2.gz UIAXSTITFZBZRY-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076838952 805637584 /nfs/dbraw/zinc/63/75/84/805637584.db2.gz UIAXSTITFZBZRY-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP C[N@H+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1(C)C ZINC000091312226 790371869 /nfs/dbraw/zinc/37/18/69/790371869.db2.gz JJWQLOOLGFMOFW-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP CN(C)C(=O)NCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000132994946 790389289 /nfs/dbraw/zinc/38/92/89/790389289.db2.gz URTUDPXVMDARGZ-NSHDSACASA-N 2 1 258.366 -0.696 20 0 CBADMP COC[C@@H](C)OC[C@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000234822844 790443180 /nfs/dbraw/zinc/44/31/80/790443180.db2.gz UZKRVXFBSGSFHX-ZIAGYGMSSA-N 2 1 289.420 -0.764 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000379434432 790511010 /nfs/dbraw/zinc/51/10/10/790511010.db2.gz LDLSPWXRHMKVHO-XQQFMLRXSA-N 2 1 259.394 -0.392 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH2+][C@H](C)[C@H]1C ZINC000379434431 790511101 /nfs/dbraw/zinc/51/11/01/790511101.db2.gz LDLSPWXRHMKVHO-UPJWGTAASA-N 2 1 259.394 -0.392 20 0 CBADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000382181655 790524612 /nfs/dbraw/zinc/52/46/12/790524612.db2.gz UCOLQCYBYNPGSS-KGLIPLIRSA-N 2 1 271.405 -0.260 20 0 CBADMP O[C@@H](CN1CCOCC1)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000382971022 790528185 /nfs/dbraw/zinc/52/81/85/790528185.db2.gz JJQQXWJBRWBWAI-CABCVRRESA-N 2 1 283.416 -0.150 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000385236891 790540064 /nfs/dbraw/zinc/54/00/64/790540064.db2.gz JXPIOLKNQUQFJD-QWHCGFSZSA-N 2 1 259.394 -0.404 20 0 CBADMP CC[N@H+](CCOCCO)C[C@H](O)C[NH+]1CCCC1 ZINC000385455059 790542799 /nfs/dbraw/zinc/54/27/99/790542799.db2.gz BNPUJSFTMKXHIV-ZDUSSCGKSA-N 2 1 260.378 -0.226 20 0 CBADMP CC[N@@H+](CCOCCO)C[C@H](O)C[NH+]1CCCC1 ZINC000385455059 790542808 /nfs/dbraw/zinc/54/28/08/790542808.db2.gz BNPUJSFTMKXHIV-ZDUSSCGKSA-N 2 1 260.378 -0.226 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC000386282316 790545353 /nfs/dbraw/zinc/54/53/53/790545353.db2.gz FUFAORJZJPQTMO-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000386291133 790545409 /nfs/dbraw/zinc/54/54/09/790545409.db2.gz CVHHIKKKVWUEOM-STQMWFEESA-N 2 1 259.394 -0.405 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC000386282319 790545656 /nfs/dbraw/zinc/54/56/56/790545656.db2.gz FUFAORJZJPQTMO-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000388292861 790555573 /nfs/dbraw/zinc/55/55/73/790555573.db2.gz XCBXCWAKGJBEQK-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000388292861 790555580 /nfs/dbraw/zinc/55/55/80/790555580.db2.gz XCBXCWAKGJBEQK-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000388248076 790556682 /nfs/dbraw/zinc/55/66/82/790556682.db2.gz GTTGJJUULFNZOV-NEPJUHHUSA-N 2 1 291.417 -0.669 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000389242275 790562223 /nfs/dbraw/zinc/56/22/23/790562223.db2.gz BTAYFZDMKDOORN-MELADBBJSA-N 2 1 273.421 -0.050 20 0 CBADMP [NH3+]C1(CC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000398084080 790594279 /nfs/dbraw/zinc/59/42/79/790594279.db2.gz PCKFHAFEJAJEBN-MNOVXSKESA-N 2 1 253.346 -0.153 20 0 CBADMP [NH3+]C1(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000398084079 790594729 /nfs/dbraw/zinc/59/47/29/790594729.db2.gz PCKFHAFEJAJEBN-GHMZBOCLSA-N 2 1 253.346 -0.153 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)C[C@@H]2CCOC2)CC1 ZINC000401560832 790606346 /nfs/dbraw/zinc/60/63/46/790606346.db2.gz NJPIWZCHELRFIL-NSHDSACASA-N 2 1 255.362 -0.048 20 0 CBADMP O=C1OCCN1CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000403159341 790611888 /nfs/dbraw/zinc/61/18/88/790611888.db2.gz FWTZZBCXZTUPNQ-LBPRGKRZSA-N 2 1 268.361 -0.582 20 0 CBADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC000405396454 790615500 /nfs/dbraw/zinc/61/55/00/790615500.db2.gz TVEOPJDBXYODRS-LLVKDONJSA-N 2 1 275.418 0.000 20 0 CBADMP CCO[C@@H]1C[N@@H+](C[C@@H](O)CO[C@@H](C)COC)C[C@H]1C[NH3+] ZINC000405480986 790618560 /nfs/dbraw/zinc/61/85/60/790618560.db2.gz XHKOIZSKABTHMR-REWJHTLYSA-N 2 1 290.404 -0.306 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000687246729 790651180 /nfs/dbraw/zinc/65/11/80/790651180.db2.gz VSRRRMWNQLRWRO-XQQFMLRXSA-N 2 1 257.378 -0.638 20 0 CBADMP C[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1CO ZINC000687589325 790653121 /nfs/dbraw/zinc/65/31/21/790653121.db2.gz KYRQCUOIZVTQBL-OLZOCXBDSA-N 2 1 257.378 -0.949 20 0 CBADMP C[N@H+]1CCN(C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1CO ZINC000687589325 790653128 /nfs/dbraw/zinc/65/31/28/790653128.db2.gz KYRQCUOIZVTQBL-OLZOCXBDSA-N 2 1 257.378 -0.949 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](C)[C@@H](CO)C1 ZINC000687593825 790659999 /nfs/dbraw/zinc/65/99/99/790659999.db2.gz MZBORKKXXXUXHW-CHWSQXEVSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)[C@@H](CO)C1 ZINC000687593825 790660000 /nfs/dbraw/zinc/66/00/00/790660000.db2.gz MZBORKKXXXUXHW-CHWSQXEVSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@H+](C)[C@@H](CO)C1 ZINC000687593825 790660003 /nfs/dbraw/zinc/66/00/03/790660003.db2.gz MZBORKKXXXUXHW-CHWSQXEVSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000687593825 790660005 /nfs/dbraw/zinc/66/00/05/790660005.db2.gz MZBORKKXXXUXHW-CHWSQXEVSA-N 2 1 259.394 -0.704 20 0 CBADMP C[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1C[NH3+] ZINC000695129195 790687446 /nfs/dbraw/zinc/68/74/46/790687446.db2.gz GYJLQTZCOAFVPA-RYUDHWBXSA-N 2 1 275.418 -0.061 20 0 CBADMP C[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1C[NH3+] ZINC000695129195 790687449 /nfs/dbraw/zinc/68/74/49/790687449.db2.gz GYJLQTZCOAFVPA-RYUDHWBXSA-N 2 1 275.418 -0.061 20 0 CBADMP C[N@H+](CCN1CCCS1(=O)=O)CC(C)(C)C[NH3+] ZINC000695085645 790686884 /nfs/dbraw/zinc/68/68/84/790686884.db2.gz SEGPMFVKPCNVBV-UHFFFAOYSA-N 2 1 263.407 -0.061 20 0 CBADMP C[N@@H+](CCN1CCCS1(=O)=O)CC(C)(C)C[NH3+] ZINC000695085645 790686892 /nfs/dbraw/zinc/68/68/92/790686892.db2.gz SEGPMFVKPCNVBV-UHFFFAOYSA-N 2 1 263.407 -0.061 20 0 CBADMP C[N@@H+](CCNC(=O)C[C@H](O)C[NH3+])Cc1ccccc1 ZINC000705599636 790723836 /nfs/dbraw/zinc/72/38/36/790723836.db2.gz DVVJLNCHUUCYLZ-ZDUSSCGKSA-N 2 1 265.357 -0.056 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H](CO)C1 ZINC000711054222 790742972 /nfs/dbraw/zinc/74/29/72/790742972.db2.gz PESLBHZFCWTKTN-SRVKXCTJSA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H](CO)C1 ZINC000711054222 790742976 /nfs/dbraw/zinc/74/29/76/790742976.db2.gz PESLBHZFCWTKTN-SRVKXCTJSA-N 2 1 255.362 -0.361 20 0 CBADMP [NH3+]CCOCC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000720435687 790765685 /nfs/dbraw/zinc/76/56/85/790765685.db2.gz JSAIMYXLWGQVCD-GHMZBOCLSA-N 2 1 273.402 -0.342 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720830465 790772089 /nfs/dbraw/zinc/77/20/89/790772089.db2.gz MRPJHPCNGZVQAI-SFYZADRCSA-N 2 1 296.293 -0.099 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720830465 790772094 /nfs/dbraw/zinc/77/20/94/790772094.db2.gz MRPJHPCNGZVQAI-SFYZADRCSA-N 2 1 296.293 -0.099 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720885035 790772667 /nfs/dbraw/zinc/77/26/67/790772667.db2.gz CEKOCXBPVWRQEL-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CN1CC[NH2+]CC1 ZINC000720892987 790772706 /nfs/dbraw/zinc/77/27/06/790772706.db2.gz ABCSAGLBUUDWTH-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP [NH3+]CC[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000723710539 790801466 /nfs/dbraw/zinc/80/14/66/790801466.db2.gz VNFJZYDOZJSYQA-LLVKDONJSA-N 2 1 261.391 -0.307 20 0 CBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723910148 790801522 /nfs/dbraw/zinc/80/15/22/790801522.db2.gz SRAJQOSUFJTCKK-UPJWGTAASA-N 2 1 260.378 -0.073 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)CCO1 ZINC000723671350 790802785 /nfs/dbraw/zinc/80/27/85/790802785.db2.gz APHOGRNDWSQLBN-NEPJUHHUSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)CCO1 ZINC000723671352 790803528 /nfs/dbraw/zinc/80/35/28/790803528.db2.gz APHOGRNDWSQLBN-RYUDHWBXSA-N 2 1 255.362 -0.096 20 0 CBADMP CO[C@H]1CC[C@@H]1[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000724152663 790805187 /nfs/dbraw/zinc/80/51/87/790805187.db2.gz MKAQSXGLIJWZFY-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@@H+](CCO[C@H]1CCOC1)CCN1CC[NH2+]CC1 ZINC000724930545 790813358 /nfs/dbraw/zinc/81/33/58/790813358.db2.gz KYOPRZXLYODHEI-ZDUSSCGKSA-N 2 1 257.378 -0.371 20 0 CBADMP C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)O[C@@H]1CCOC1 ZINC000724930054 790814710 /nfs/dbraw/zinc/81/47/10/790814710.db2.gz GDUZYRVBJFXIHL-UONOGXRCSA-N 2 1 269.389 -0.229 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724575823 790808169 /nfs/dbraw/zinc/80/81/69/790808169.db2.gz CRROBYUNIWRMEE-IHRRRGAJSA-N 2 1 269.389 -0.373 20 0 CBADMP NC(=O)NC(=O)OCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000772175514 790824204 /nfs/dbraw/zinc/82/42/04/790824204.db2.gz QDKWBMDSELCERB-DTORHVGOSA-N 2 1 256.306 -0.667 20 0 CBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000823129616 790841916 /nfs/dbraw/zinc/84/19/16/790841916.db2.gz FVQAJKMHNLRZSE-WDEREUQCSA-N 2 1 268.361 -0.284 20 0 CBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000823129616 790841928 /nfs/dbraw/zinc/84/19/28/790841928.db2.gz FVQAJKMHNLRZSE-WDEREUQCSA-N 2 1 268.361 -0.284 20 0 CBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000823129616 790841941 /nfs/dbraw/zinc/84/19/41/790841941.db2.gz FVQAJKMHNLRZSE-WDEREUQCSA-N 2 1 268.361 -0.284 20 0 CBADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000823129616 790841954 /nfs/dbraw/zinc/84/19/54/790841954.db2.gz FVQAJKMHNLRZSE-WDEREUQCSA-N 2 1 268.361 -0.284 20 0 CBADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cnnn1C ZINC000823788467 790853482 /nfs/dbraw/zinc/85/34/82/790853482.db2.gz CXRLTTGZXHLKLQ-LLVKDONJSA-N 2 1 280.376 -0.370 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001021895255 790965950 /nfs/dbraw/zinc/96/59/50/790965950.db2.gz KCEYODRKCVUDFT-GRYCIOLGSA-N 2 1 292.387 -0.354 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001021906785 790968294 /nfs/dbraw/zinc/96/82/94/790968294.db2.gz YIASNRMYFQTLLX-WYUUTHIRSA-N 2 1 255.362 -0.302 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001021906644 790968319 /nfs/dbraw/zinc/96/83/19/790968319.db2.gz UCFOSCJQYJIXHC-WRWGMCAJSA-N 2 1 282.388 -0.419 20 0 CBADMP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001022119754 790991035 /nfs/dbraw/zinc/99/10/35/790991035.db2.gz HQMVDZHXBSNZFF-XQHKEYJVSA-N 2 1 283.372 -0.921 20 0 CBADMP 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 790992113 /nfs/dbraw/zinc/99/21/13/790992113.db2.gz CHFQVVCOSIWJCY-IEECTRCBSA-N 2 1 296.415 -0.173 20 0 CBADMP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001022199220 790998331 /nfs/dbraw/zinc/99/83/31/790998331.db2.gz CQSGDAUPRYYZIX-GRYCIOLGSA-N 2 1 278.356 -0.010 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001022275758 791001758 /nfs/dbraw/zinc/00/17/58/791001758.db2.gz RTTMRKCDDOLJBF-NJMOYASZSA-N 2 1 285.388 -0.677 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001022275758 791001769 /nfs/dbraw/zinc/00/17/69/791001769.db2.gz RTTMRKCDDOLJBF-NJMOYASZSA-N 2 1 285.388 -0.677 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022292702 791002287 /nfs/dbraw/zinc/00/22/87/791002287.db2.gz PUNKHJOHIUTKOS-OUAUKWLOSA-N 2 1 268.361 -0.807 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001022289964 791003205 /nfs/dbraw/zinc/00/32/05/791003205.db2.gz DIVPEINEQVVBNN-WYUUTHIRSA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001022275767 791003263 /nfs/dbraw/zinc/00/32/63/791003263.db2.gz RTTMRKCDDOLJBF-OBPIAQAESA-N 2 1 285.388 -0.677 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001022275767 791003275 /nfs/dbraw/zinc/00/32/75/791003275.db2.gz RTTMRKCDDOLJBF-OBPIAQAESA-N 2 1 285.388 -0.677 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022437604 791013919 /nfs/dbraw/zinc/01/39/19/791013919.db2.gz SJNBUTWXNXHNAN-TUAOUCFPSA-N 2 1 291.355 -0.683 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1)CC2 ZINC001022614252 791032562 /nfs/dbraw/zinc/03/25/62/791032562.db2.gz UBTMFLHMBYFCCC-UPJWGTAASA-N 2 1 292.383 -0.017 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001022714527 791042366 /nfs/dbraw/zinc/04/23/66/791042366.db2.gz WFBQWJIXQBHJQS-KXNHARMFSA-N 2 1 282.388 -0.561 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)C(N)=O ZINC001022712674 791040795 /nfs/dbraw/zinc/04/07/95/791040795.db2.gz XIXZKVLBCXZPQZ-FVCCEPFGSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@@H](O)C[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001022715975 791041967 /nfs/dbraw/zinc/04/19/67/791041967.db2.gz OZQFXYJTPGIYSB-QNWHQSFQSA-N 2 1 269.389 -0.054 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022716851 791042269 /nfs/dbraw/zinc/04/22/69/791042269.db2.gz KGAPJKMELSVMTL-PHIMTYICSA-N 2 1 282.388 -0.560 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023787 805673680 /nfs/dbraw/zinc/67/36/80/805673680.db2.gz SQZXAKLYXRPNQW-FDYHWXHSSA-N 2 1 285.388 -0.866 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077023787 805673683 /nfs/dbraw/zinc/67/36/83/805673683.db2.gz SQZXAKLYXRPNQW-FDYHWXHSSA-N 2 1 285.388 -0.866 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077023787 805673687 /nfs/dbraw/zinc/67/36/87/805673687.db2.gz SQZXAKLYXRPNQW-FDYHWXHSSA-N 2 1 285.388 -0.866 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)c1ncccn1 ZINC001147892561 814924273 /nfs/dbraw/zinc/92/42/73/814924273.db2.gz JYJUGIDYNGXRIC-LBPRGKRZSA-N 2 1 295.387 -0.178 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077392593 805724932 /nfs/dbraw/zinc/72/49/32/805724932.db2.gz INHHMOPXZMKHGZ-CHWSQXEVSA-N 2 1 290.323 -0.899 20 0 CBADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077392593 805724937 /nfs/dbraw/zinc/72/49/37/805724937.db2.gz INHHMOPXZMKHGZ-CHWSQXEVSA-N 2 1 290.323 -0.899 20 0 CBADMP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392549 805725697 /nfs/dbraw/zinc/72/56/97/805725697.db2.gz GINUQEYWDKJULC-GHMZBOCLSA-N 2 1 252.318 -0.627 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392549 805725702 /nfs/dbraw/zinc/72/57/02/805725702.db2.gz GINUQEYWDKJULC-GHMZBOCLSA-N 2 1 252.318 -0.627 20 0 CBADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)[NH+]1CCCC1 ZINC001077503960 805739407 /nfs/dbraw/zinc/73/94/07/805739407.db2.gz OLWJGZVOBNBHOC-VXGBXAGGSA-N 2 1 285.388 -0.986 20 0 CBADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[NH+]1CCCC1 ZINC001077503960 805739412 /nfs/dbraw/zinc/73/94/12/805739412.db2.gz OLWJGZVOBNBHOC-VXGBXAGGSA-N 2 1 285.388 -0.986 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566446 805747748 /nfs/dbraw/zinc/74/77/48/805747748.db2.gz BDFGFASWHCTDMM-MGPQQGTHSA-N 2 1 299.415 -0.335 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566446 805747753 /nfs/dbraw/zinc/74/77/53/805747753.db2.gz BDFGFASWHCTDMM-MGPQQGTHSA-N 2 1 299.415 -0.335 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077566446 805747756 /nfs/dbraw/zinc/74/77/56/805747756.db2.gz BDFGFASWHCTDMM-MGPQQGTHSA-N 2 1 299.415 -0.335 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077566446 805747759 /nfs/dbraw/zinc/74/77/59/805747759.db2.gz BDFGFASWHCTDMM-MGPQQGTHSA-N 2 1 299.415 -0.335 20 0 CBADMP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566567 805749509 /nfs/dbraw/zinc/74/95/09/805749509.db2.gz GIBDMNSQJHUTOJ-UPJWGTAASA-N 2 1 285.388 -0.723 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566567 805749518 /nfs/dbraw/zinc/74/95/18/805749518.db2.gz GIBDMNSQJHUTOJ-UPJWGTAASA-N 2 1 285.388 -0.723 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077566567 805749524 /nfs/dbraw/zinc/74/95/24/805749524.db2.gz GIBDMNSQJHUTOJ-UPJWGTAASA-N 2 1 285.388 -0.723 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077566567 805749529 /nfs/dbraw/zinc/74/95/29/805749529.db2.gz GIBDMNSQJHUTOJ-UPJWGTAASA-N 2 1 285.388 -0.723 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)c1nnnn1C ZINC001147886022 814924829 /nfs/dbraw/zinc/92/48/29/814924829.db2.gz RNIXNKCPKJIVLO-WDEREUQCSA-N 2 1 295.391 -0.681 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1nnnn1C ZINC001147886022 814924834 /nfs/dbraw/zinc/92/48/34/814924834.db2.gz RNIXNKCPKJIVLO-WDEREUQCSA-N 2 1 295.391 -0.681 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077679163 805766425 /nfs/dbraw/zinc/76/64/25/805766425.db2.gz IQHVROLUYNUENO-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001077679163 805766431 /nfs/dbraw/zinc/76/64/31/805766431.db2.gz IQHVROLUYNUENO-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001077679163 805766438 /nfs/dbraw/zinc/76/64/38/805766438.db2.gz IQHVROLUYNUENO-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001077682755 805766973 /nfs/dbraw/zinc/76/69/73/805766973.db2.gz ILROWWLSFCTWNV-IACUBPJLSA-N 2 1 292.383 -0.065 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001077682755 805766979 /nfs/dbraw/zinc/76/69/79/805766979.db2.gz ILROWWLSFCTWNV-IACUBPJLSA-N 2 1 292.383 -0.065 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001147894159 814925139 /nfs/dbraw/zinc/92/51/39/814925139.db2.gz ZRXANHPLUIFIBX-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCF)C[C@H]2O)C1 ZINC001077679076 805768525 /nfs/dbraw/zinc/76/85/25/805768525.db2.gz GLBJDYACMKOKGF-YNEHKIRRSA-N 2 1 287.379 -0.151 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)C1 ZINC001077679076 805768532 /nfs/dbraw/zinc/76/85/32/805768532.db2.gz GLBJDYACMKOKGF-YNEHKIRRSA-N 2 1 287.379 -0.151 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)C1 ZINC001077679076 805768537 /nfs/dbraw/zinc/76/85/37/805768537.db2.gz GLBJDYACMKOKGF-YNEHKIRRSA-N 2 1 287.379 -0.151 20 0 CBADMP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077679404 805769085 /nfs/dbraw/zinc/76/90/85/805769085.db2.gz QLSAUVMUECXFTE-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077679404 805769092 /nfs/dbraw/zinc/76/90/92/805769092.db2.gz QLSAUVMUECXFTE-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001077679404 805769098 /nfs/dbraw/zinc/76/90/98/805769098.db2.gz QLSAUVMUECXFTE-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001077679404 805769103 /nfs/dbraw/zinc/76/91/03/805769103.db2.gz QLSAUVMUECXFTE-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077778390 805784537 /nfs/dbraw/zinc/78/45/37/805784537.db2.gz HKUCXBVXMLRIGK-MGPQQGTHSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077778390 805784542 /nfs/dbraw/zinc/78/45/42/805784542.db2.gz HKUCXBVXMLRIGK-MGPQQGTHSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077778390 805784548 /nfs/dbraw/zinc/78/45/48/805784548.db2.gz HKUCXBVXMLRIGK-MGPQQGTHSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077778390 805784558 /nfs/dbraw/zinc/78/45/58/805784558.db2.gz HKUCXBVXMLRIGK-MGPQQGTHSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC001077924232 805809579 /nfs/dbraw/zinc/80/95/79/805809579.db2.gz YZIMPPMCVMBKAQ-ZIAGYGMSSA-N 2 1 299.415 -0.740 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001078006189 805821867 /nfs/dbraw/zinc/82/18/67/805821867.db2.gz VINQNQMYVNGBEV-BFHYXJOUSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)C1 ZINC001078006189 805821875 /nfs/dbraw/zinc/82/18/75/805821875.db2.gz VINQNQMYVNGBEV-BFHYXJOUSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)C1 ZINC001078006189 805821880 /nfs/dbraw/zinc/82/18/80/805821880.db2.gz VINQNQMYVNGBEV-BFHYXJOUSA-N 2 1 281.400 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001078174092 805850157 /nfs/dbraw/zinc/85/01/57/805850157.db2.gz BBMHUGMXOOJQBU-JHJVBQTASA-N 2 1 267.373 -0.491 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)C1 ZINC001078174092 805850166 /nfs/dbraw/zinc/85/01/66/805850166.db2.gz BBMHUGMXOOJQBU-JHJVBQTASA-N 2 1 267.373 -0.491 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)C1 ZINC001078174092 805850174 /nfs/dbraw/zinc/85/01/74/805850174.db2.gz BBMHUGMXOOJQBU-JHJVBQTASA-N 2 1 267.373 -0.491 20 0 CBADMP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182163 805852530 /nfs/dbraw/zinc/85/25/30/805852530.db2.gz IOSKGSVYHMGCAS-VXGBXAGGSA-N 2 1 266.345 -0.237 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182163 805852538 /nfs/dbraw/zinc/85/25/38/805852538.db2.gz IOSKGSVYHMGCAS-VXGBXAGGSA-N 2 1 266.345 -0.237 20 0 CBADMP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001078206253 805856144 /nfs/dbraw/zinc/85/61/44/805856144.db2.gz VFHCKJCJUOJYLQ-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001078206253 805856151 /nfs/dbraw/zinc/85/61/51/805856151.db2.gz VFHCKJCJUOJYLQ-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001078206253 805856160 /nfs/dbraw/zinc/85/61/60/805856160.db2.gz VFHCKJCJUOJYLQ-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001078206253 805856169 /nfs/dbraw/zinc/85/61/69/805856169.db2.gz VFHCKJCJUOJYLQ-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001078510068 805880119 /nfs/dbraw/zinc/88/01/19/805880119.db2.gz PQEKIVHTQFPQIH-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001078510068 805880128 /nfs/dbraw/zinc/88/01/28/805880128.db2.gz PQEKIVHTQFPQIH-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900520 814926238 /nfs/dbraw/zinc/92/62/38/814926238.db2.gz PEKQVJXFWRVJEC-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079527682 805924404 /nfs/dbraw/zinc/92/44/04/805924404.db2.gz ADMBSMVCFQKHNK-UTUOFQBUSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079527682 805924407 /nfs/dbraw/zinc/92/44/07/805924407.db2.gz ADMBSMVCFQKHNK-UTUOFQBUSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079527682 805924413 /nfs/dbraw/zinc/92/44/13/805924413.db2.gz ADMBSMVCFQKHNK-UTUOFQBUSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079527682 805924418 /nfs/dbraw/zinc/92/44/18/805924418.db2.gz ADMBSMVCFQKHNK-UTUOFQBUSA-N 2 1 255.362 -0.227 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001080139482 805960824 /nfs/dbraw/zinc/96/08/24/805960824.db2.gz GRZOEFGOFMSISF-MWLCHTKSSA-N 2 1 279.344 -0.887 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080329916 805972116 /nfs/dbraw/zinc/97/21/16/805972116.db2.gz WVCWVOXVSYWEBN-MROQNXINSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080329916 805972120 /nfs/dbraw/zinc/97/21/20/805972120.db2.gz WVCWVOXVSYWEBN-MROQNXINSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001080329916 805972127 /nfs/dbraw/zinc/97/21/27/805972127.db2.gz WVCWVOXVSYWEBN-MROQNXINSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001080329916 805972132 /nfs/dbraw/zinc/97/21/32/805972132.db2.gz WVCWVOXVSYWEBN-MROQNXINSA-N 2 1 296.415 -0.362 20 0 CBADMP O=C(NCC[NH2+]Cc1ccon1)C12CC[NH+](CC1)C2 ZINC001147970786 814927382 /nfs/dbraw/zinc/92/73/82/814927382.db2.gz PAHDQACAUYQRPP-UHFFFAOYSA-N 2 1 264.329 -0.024 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080442471 805984340 /nfs/dbraw/zinc/98/43/40/805984340.db2.gz AZSAMMMGXIDVSG-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001080442471 805984349 /nfs/dbraw/zinc/98/43/49/805984349.db2.gz AZSAMMMGXIDVSG-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001080442471 805984355 /nfs/dbraw/zinc/98/43/55/805984355.db2.gz AZSAMMMGXIDVSG-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001147977133 814927432 /nfs/dbraw/zinc/92/74/32/814927432.db2.gz KJPUGQJOPBDDTF-SNVBAGLBSA-N 2 1 292.387 -0.024 20 0 CBADMP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001147977132 814927481 /nfs/dbraw/zinc/92/74/81/814927481.db2.gz KJPUGQJOPBDDTF-JTQLQIEISA-N 2 1 292.387 -0.024 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)c1nnnn1C ZINC001147977179 814927690 /nfs/dbraw/zinc/92/76/90/814927690.db2.gz MCMTUSGCCRJWIN-SNVBAGLBSA-N 2 1 293.375 -0.927 20 0 CBADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935462 806017292 /nfs/dbraw/zinc/01/72/92/806017292.db2.gz WECPVMXRXAOIFS-FRRDWIJNSA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935462 806017303 /nfs/dbraw/zinc/01/73/03/806017303.db2.gz WECPVMXRXAOIFS-FRRDWIJNSA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080935462 806017312 /nfs/dbraw/zinc/01/73/12/806017312.db2.gz WECPVMXRXAOIFS-FRRDWIJNSA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935462 806017322 /nfs/dbraw/zinc/01/73/22/806017322.db2.gz WECPVMXRXAOIFS-FRRDWIJNSA-N 2 1 296.415 -0.537 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970246 814928253 /nfs/dbraw/zinc/92/82/53/814928253.db2.gz CZLLFIHBKIQHKG-UHFFFAOYSA-N 2 1 292.387 -0.400 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848181 806127338 /nfs/dbraw/zinc/12/73/38/806127338.db2.gz QCHARQSEODGLIT-FDYHWXHSSA-N 2 1 285.388 -0.459 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848181 806127341 /nfs/dbraw/zinc/12/73/41/806127341.db2.gz QCHARQSEODGLIT-FDYHWXHSSA-N 2 1 285.388 -0.459 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848181 806127346 /nfs/dbraw/zinc/12/73/46/806127346.db2.gz QCHARQSEODGLIT-FDYHWXHSSA-N 2 1 285.388 -0.459 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848181 806127350 /nfs/dbraw/zinc/12/73/50/806127350.db2.gz QCHARQSEODGLIT-FDYHWXHSSA-N 2 1 285.388 -0.459 20 0 CBADMP CO[C@@H]1CN(CCO)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001082137896 806147981 /nfs/dbraw/zinc/14/79/81/806147981.db2.gz GAXMUWOJVBHRFO-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369057 806170653 /nfs/dbraw/zinc/17/06/53/806170653.db2.gz WSFAIIZZPKHAEO-JHJVBQTASA-N 2 1 285.388 -0.600 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082369057 806170659 /nfs/dbraw/zinc/17/06/59/806170659.db2.gz WSFAIIZZPKHAEO-JHJVBQTASA-N 2 1 285.388 -0.600 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082369057 806170666 /nfs/dbraw/zinc/17/06/66/806170666.db2.gz WSFAIIZZPKHAEO-JHJVBQTASA-N 2 1 285.388 -0.600 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001082377487 806171036 /nfs/dbraw/zinc/17/10/36/806171036.db2.gz RTSNRFQOZKPFBQ-JHJVBQTASA-N 2 1 285.388 -0.458 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001082377487 806171040 /nfs/dbraw/zinc/17/10/40/806171040.db2.gz RTSNRFQOZKPFBQ-JHJVBQTASA-N 2 1 285.388 -0.458 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](OC)C1 ZINC001082377487 806171044 /nfs/dbraw/zinc/17/10/44/806171044.db2.gz RTSNRFQOZKPFBQ-JHJVBQTASA-N 2 1 285.388 -0.458 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](OC)C1 ZINC001082377487 806171046 /nfs/dbraw/zinc/17/10/46/806171046.db2.gz RTSNRFQOZKPFBQ-JHJVBQTASA-N 2 1 285.388 -0.458 20 0 CBADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)C(N)=O ZINC001082561593 806186482 /nfs/dbraw/zinc/18/64/82/806186482.db2.gz CXFUWKGFPUPUAV-NQBHXWOUSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCF ZINC001082458326 806180738 /nfs/dbraw/zinc/18/07/38/806180738.db2.gz IMWBCSQPRMLJMS-UTUOFQBUSA-N 2 1 273.352 -0.277 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCF ZINC001082458326 806180742 /nfs/dbraw/zinc/18/07/42/806180742.db2.gz IMWBCSQPRMLJMS-UTUOFQBUSA-N 2 1 273.352 -0.277 20 0 CBADMP CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083275225 806244769 /nfs/dbraw/zinc/24/47/69/806244769.db2.gz TUZSXNWFXJJRAQ-RWMBFGLXSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083275225 806244775 /nfs/dbraw/zinc/24/47/75/806244775.db2.gz TUZSXNWFXJJRAQ-RWMBFGLXSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083275225 806244781 /nfs/dbraw/zinc/24/47/81/806244781.db2.gz TUZSXNWFXJJRAQ-RWMBFGLXSA-N 2 1 267.373 -0.130 20 0 CBADMP COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274760 806245411 /nfs/dbraw/zinc/24/54/11/806245411.db2.gz YPHYEVYZMNHDRD-HZSPNIEDSA-N 2 1 297.399 -0.504 20 0 CBADMP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083274760 806245416 /nfs/dbraw/zinc/24/54/16/806245416.db2.gz YPHYEVYZMNHDRD-HZSPNIEDSA-N 2 1 297.399 -0.504 20 0 CBADMP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083274760 806245421 /nfs/dbraw/zinc/24/54/21/806245421.db2.gz YPHYEVYZMNHDRD-HZSPNIEDSA-N 2 1 297.399 -0.504 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001083369199 806288677 /nfs/dbraw/zinc/28/86/77/806288677.db2.gz MQEVWBGDGBWBFX-UPJWGTAASA-N 2 1 267.373 -0.348 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001083369199 806288682 /nfs/dbraw/zinc/28/86/82/806288682.db2.gz MQEVWBGDGBWBFX-UPJWGTAASA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001083369199 806288686 /nfs/dbraw/zinc/28/86/86/806288686.db2.gz MQEVWBGDGBWBFX-UPJWGTAASA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001083369199 806288691 /nfs/dbraw/zinc/28/86/91/806288691.db2.gz MQEVWBGDGBWBFX-UPJWGTAASA-N 2 1 267.373 -0.348 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083505821 806348218 /nfs/dbraw/zinc/34/82/18/806348218.db2.gz DLFUTCGHDJROGT-RDBSUJKOSA-N 2 1 299.415 -0.596 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083505821 806348227 /nfs/dbraw/zinc/34/82/27/806348227.db2.gz DLFUTCGHDJROGT-RDBSUJKOSA-N 2 1 299.415 -0.596 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083505821 806348239 /nfs/dbraw/zinc/34/82/39/806348239.db2.gz DLFUTCGHDJROGT-RDBSUJKOSA-N 2 1 299.415 -0.596 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083519004 806350996 /nfs/dbraw/zinc/35/09/96/806350996.db2.gz ZFQNRUBRVQSTMW-MCIONIFRSA-N 2 1 299.415 -0.882 20 0 CBADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001083519004 806351005 /nfs/dbraw/zinc/35/10/05/806351005.db2.gz ZFQNRUBRVQSTMW-MCIONIFRSA-N 2 1 299.415 -0.882 20 0 CBADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001083519004 806351009 /nfs/dbraw/zinc/35/10/09/806351009.db2.gz ZFQNRUBRVQSTMW-MCIONIFRSA-N 2 1 299.415 -0.882 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083525036 806353589 /nfs/dbraw/zinc/35/35/89/806353589.db2.gz WOPJQJLQAQYHRQ-MCIONIFRSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083525036 806353599 /nfs/dbraw/zinc/35/35/99/806353599.db2.gz WOPJQJLQAQYHRQ-MCIONIFRSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083525036 806353609 /nfs/dbraw/zinc/35/36/09/806353609.db2.gz WOPJQJLQAQYHRQ-MCIONIFRSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083594154 806377219 /nfs/dbraw/zinc/37/72/19/806377219.db2.gz OMGHVUZCNASFLB-RDBSUJKOSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083594154 806377227 /nfs/dbraw/zinc/37/72/27/806377227.db2.gz OMGHVUZCNASFLB-RDBSUJKOSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083594154 806377237 /nfs/dbraw/zinc/37/72/37/806377237.db2.gz OMGHVUZCNASFLB-RDBSUJKOSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083594154 806377242 /nfs/dbraw/zinc/37/72/42/806377242.db2.gz OMGHVUZCNASFLB-RDBSUJKOSA-N 2 1 299.415 -0.740 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083644943 806391226 /nfs/dbraw/zinc/39/12/26/806391226.db2.gz CYNHOBQZFODSRC-XQQFMLRXSA-N 2 1 296.371 -0.612 20 0 CBADMP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083644943 806391237 /nfs/dbraw/zinc/39/12/37/806391237.db2.gz CYNHOBQZFODSRC-XQQFMLRXSA-N 2 1 296.371 -0.612 20 0 CBADMP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749503 806421510 /nfs/dbraw/zinc/42/15/10/806421510.db2.gz CZEOVENHFKDSST-BNOWGMLFSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001083780633 806431791 /nfs/dbraw/zinc/43/17/91/806431791.db2.gz FIIUKQKOWJCFOW-YUTCNCBUSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)C1 ZINC001083780633 806431795 /nfs/dbraw/zinc/43/17/95/806431795.db2.gz FIIUKQKOWJCFOW-YUTCNCBUSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)C1 ZINC001083780633 806431800 /nfs/dbraw/zinc/43/18/00/806431800.db2.gz FIIUKQKOWJCFOW-YUTCNCBUSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O ZINC001083778276 806432523 /nfs/dbraw/zinc/43/25/23/806432523.db2.gz HIOARCNKMKHRGV-UPJWGTAASA-N 2 1 287.379 -0.008 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083778276 806432527 /nfs/dbraw/zinc/43/25/27/806432527.db2.gz HIOARCNKMKHRGV-UPJWGTAASA-N 2 1 287.379 -0.008 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001083778276 806432531 /nfs/dbraw/zinc/43/25/31/806432531.db2.gz HIOARCNKMKHRGV-UPJWGTAASA-N 2 1 287.379 -0.008 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831270 806441491 /nfs/dbraw/zinc/44/14/91/806441491.db2.gz DZLLOXKEHGRJOX-MJBXVCDLSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831270 806441494 /nfs/dbraw/zinc/44/14/94/806441494.db2.gz DZLLOXKEHGRJOX-MJBXVCDLSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057267 806480461 /nfs/dbraw/zinc/48/04/61/806480461.db2.gz COZQNCFERFWWTH-UPJWGTAASA-N 2 1 287.379 -0.008 20 0 CBADMP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057267 806480466 /nfs/dbraw/zinc/48/04/66/806480466.db2.gz COZQNCFERFWWTH-UPJWGTAASA-N 2 1 287.379 -0.008 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@@H]2O)C1 ZINC001084053904 806480764 /nfs/dbraw/zinc/48/07/64/806480764.db2.gz PATZNLMDTVFOGD-MJBXVCDLSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2O)C1 ZINC001084053904 806480766 /nfs/dbraw/zinc/48/07/66/806480766.db2.gz PATZNLMDTVFOGD-MJBXVCDLSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2O)C1 ZINC001084053904 806480769 /nfs/dbraw/zinc/48/07/69/806480769.db2.gz PATZNLMDTVFOGD-MJBXVCDLSA-N 2 1 281.400 -0.101 20 0 CBADMP CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084059007 806484913 /nfs/dbraw/zinc/48/49/13/806484913.db2.gz UZADHBJJEGDDMR-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084059007 806484918 /nfs/dbraw/zinc/48/49/18/806484918.db2.gz UZADHBJJEGDDMR-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001084077836 806486542 /nfs/dbraw/zinc/48/65/42/806486542.db2.gz DDKMJJZKZPAVFY-HZSPNIEDSA-N 2 1 297.399 -0.722 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001084077836 806486550 /nfs/dbraw/zinc/48/65/50/806486550.db2.gz DDKMJJZKZPAVFY-HZSPNIEDSA-N 2 1 297.399 -0.722 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)C1 ZINC001084077836 806486555 /nfs/dbraw/zinc/48/65/55/806486555.db2.gz DDKMJJZKZPAVFY-HZSPNIEDSA-N 2 1 297.399 -0.722 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)C1 ZINC001084077836 806486561 /nfs/dbraw/zinc/48/65/61/806486561.db2.gz DDKMJJZKZPAVFY-HZSPNIEDSA-N 2 1 297.399 -0.722 20 0 CBADMP CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084079073 806486797 /nfs/dbraw/zinc/48/67/97/806486797.db2.gz VFHCKJCJUOJYLQ-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084079073 806486802 /nfs/dbraw/zinc/48/68/02/806486802.db2.gz VFHCKJCJUOJYLQ-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001084079073 806486809 /nfs/dbraw/zinc/48/68/09/806486809.db2.gz VFHCKJCJUOJYLQ-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001084079073 806486814 /nfs/dbraw/zinc/48/68/14/806486814.db2.gz VFHCKJCJUOJYLQ-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CC1 ZINC001148160995 814931400 /nfs/dbraw/zinc/93/14/00/814931400.db2.gz PKKLGFFNWQRHAZ-UHFFFAOYSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CC1 ZINC001148160995 814931408 /nfs/dbraw/zinc/93/14/08/814931408.db2.gz PKKLGFFNWQRHAZ-UHFFFAOYSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)CCC1 ZINC001084405003 806516960 /nfs/dbraw/zinc/51/69/60/806516960.db2.gz WHRPLTJVDVYNQU-CHWSQXEVSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21 ZINC001084661424 806531251 /nfs/dbraw/zinc/53/12/51/806531251.db2.gz SVTKYETZULNCBE-BFHYXJOUSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084661424 806531263 /nfs/dbraw/zinc/53/12/63/806531263.db2.gz SVTKYETZULNCBE-BFHYXJOUSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084661424 806531267 /nfs/dbraw/zinc/53/12/67/806531267.db2.gz SVTKYETZULNCBE-BFHYXJOUSA-N 2 1 281.400 -0.004 20 0 CBADMP CCN1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)C1 ZINC001084844118 806537749 /nfs/dbraw/zinc/53/77/49/806537749.db2.gz GYRCYFNKYJRJLF-MCIONIFRSA-N 2 1 297.399 -0.768 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084844118 806537752 /nfs/dbraw/zinc/53/77/52/806537752.db2.gz GYRCYFNKYJRJLF-MCIONIFRSA-N 2 1 297.399 -0.768 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084844118 806537759 /nfs/dbraw/zinc/53/77/59/806537759.db2.gz GYRCYFNKYJRJLF-MCIONIFRSA-N 2 1 297.399 -0.768 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)C1 ZINC001084844118 806537776 /nfs/dbraw/zinc/53/77/76/806537776.db2.gz GYRCYFNKYJRJLF-MCIONIFRSA-N 2 1 297.399 -0.768 20 0 CBADMP CNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084830376 806539494 /nfs/dbraw/zinc/53/94/94/806539494.db2.gz TYJSXVISCXUWAX-FRRDWIJNSA-N 2 1 294.399 -0.783 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085421895 806555525 /nfs/dbraw/zinc/55/55/25/806555525.db2.gz AMJPHHBUQJOSJX-QJPTWQEYSA-N 2 1 282.388 -0.560 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085421894 806555891 /nfs/dbraw/zinc/55/58/91/806555891.db2.gz AMJPHHBUQJOSJX-IJLUTSLNSA-N 2 1 282.388 -0.560 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085598208 806584179 /nfs/dbraw/zinc/58/41/79/806584179.db2.gz OYUZMADOMHIQPG-UONOGXRCSA-N 2 1 281.400 -0.147 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)C1CC[NH+](C)CC1 ZINC001085799401 806610972 /nfs/dbraw/zinc/61/09/72/806610972.db2.gz QHSCPKSZYAFKID-ZDUSSCGKSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085973517 806630134 /nfs/dbraw/zinc/63/01/34/806630134.db2.gz YXDHLQBMIONSPX-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085973517 806630137 /nfs/dbraw/zinc/63/01/37/806630137.db2.gz YXDHLQBMIONSPX-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085973517 806630141 /nfs/dbraw/zinc/63/01/41/806630141.db2.gz YXDHLQBMIONSPX-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086047098 806639582 /nfs/dbraw/zinc/63/95/82/806639582.db2.gz DUZZJJKOQIZKMI-RVMXOQNASA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086052505 806640721 /nfs/dbraw/zinc/64/07/21/806640721.db2.gz MQKNFSISLPDFFQ-NDBYEHHHSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086052505 806640726 /nfs/dbraw/zinc/64/07/26/806640726.db2.gz MQKNFSISLPDFFQ-NDBYEHHHSA-N 2 1 285.388 -0.818 20 0 CBADMP CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086052321 806641037 /nfs/dbraw/zinc/64/10/37/806641037.db2.gz HQAHZUBAPUWXJG-GRYCIOLGSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086052321 806641042 /nfs/dbraw/zinc/64/10/42/806641042.db2.gz HQAHZUBAPUWXJG-GRYCIOLGSA-N 2 1 255.362 -0.179 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022973300 798869949 /nfs/dbraw/zinc/86/99/49/798869949.db2.gz GRFHKYQFOXJGKY-MXWKQRLJSA-N 2 1 268.361 -0.950 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001023084114 798879818 /nfs/dbraw/zinc/87/98/18/798879818.db2.gz JCNCGSLAIMMCNO-YFKTTZPYSA-N 2 1 280.372 -0.937 20 0 CBADMP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023115640 798883941 /nfs/dbraw/zinc/88/39/41/798883941.db2.gz QZFDLFPWPDPIAH-GRYCIOLGSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023115640 798883945 /nfs/dbraw/zinc/88/39/45/798883945.db2.gz QZFDLFPWPDPIAH-GRYCIOLGSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCF)C2)C1 ZINC001023115521 798883959 /nfs/dbraw/zinc/88/39/59/798883959.db2.gz NQAVCJWNINNANK-TUAOUCFPSA-N 2 1 273.352 -0.087 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCF)C2)C1 ZINC001023115521 798883966 /nfs/dbraw/zinc/88/39/66/798883966.db2.gz NQAVCJWNINNANK-TUAOUCFPSA-N 2 1 273.352 -0.087 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCO)C1 ZINC001023275260 798897304 /nfs/dbraw/zinc/89/73/04/798897304.db2.gz HJBLTKPQEYEYSV-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001023275260 798897310 /nfs/dbraw/zinc/89/73/10/798897310.db2.gz HJBLTKPQEYEYSV-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001023275260 798897315 /nfs/dbraw/zinc/89/73/15/798897315.db2.gz HJBLTKPQEYEYSV-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](CCO)C2)C1 ZINC001023750838 798921879 /nfs/dbraw/zinc/92/18/79/798921879.db2.gz XZMNTTHZTQGJIA-OLZOCXBDSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001023750838 798921885 /nfs/dbraw/zinc/92/18/85/798921885.db2.gz XZMNTTHZTQGJIA-OLZOCXBDSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001023750838 798921893 /nfs/dbraw/zinc/92/18/93/798921893.db2.gz XZMNTTHZTQGJIA-OLZOCXBDSA-N 2 1 269.389 -0.241 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001023757446 798922008 /nfs/dbraw/zinc/92/20/08/798922008.db2.gz GQLOELQDAULTOL-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001023757446 798922014 /nfs/dbraw/zinc/92/20/14/798922014.db2.gz GQLOELQDAULTOL-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001023757446 798922018 /nfs/dbraw/zinc/92/20/18/798922018.db2.gz GQLOELQDAULTOL-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001023757446 798922022 /nfs/dbraw/zinc/92/20/22/798922022.db2.gz GQLOELQDAULTOL-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP CNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001024797520 798947694 /nfs/dbraw/zinc/94/76/94/798947694.db2.gz OXGTUSFFKCHJKR-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001024797520 798947698 /nfs/dbraw/zinc/94/76/98/798947698.db2.gz OXGTUSFFKCHJKR-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001024797520 798947701 /nfs/dbraw/zinc/94/77/01/798947701.db2.gz OXGTUSFFKCHJKR-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024797520 798947704 /nfs/dbraw/zinc/94/77/04/798947704.db2.gz OXGTUSFFKCHJKR-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP 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 798987344 /nfs/dbraw/zinc/98/73/44/798987344.db2.gz HPAVQEROUWGCCG-BJJPWKGXSA-N 2 1 281.400 -0.387 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001026045547 798987351 /nfs/dbraw/zinc/98/73/51/798987351.db2.gz HPAVQEROUWGCCG-BJJPWKGXSA-N 2 1 281.400 -0.387 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001026045547 798987354 /nfs/dbraw/zinc/98/73/54/798987354.db2.gz HPAVQEROUWGCCG-BJJPWKGXSA-N 2 1 281.400 -0.387 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001026040912 798987392 /nfs/dbraw/zinc/98/73/92/798987392.db2.gz ZGTPSHQKUONGTE-NTASLKFISA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001026040912 798987398 /nfs/dbraw/zinc/98/73/98/798987398.db2.gz ZGTPSHQKUONGTE-NTASLKFISA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC001026040912 798987407 /nfs/dbraw/zinc/98/74/07/798987407.db2.gz ZGTPSHQKUONGTE-NTASLKFISA-N 2 1 281.400 -0.102 20 0 CBADMP 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 798987899 /nfs/dbraw/zinc/98/78/99/798987899.db2.gz FXQFLAHNZDWFFF-GGAZOKNXSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001026043503 798987902 /nfs/dbraw/zinc/98/79/02/798987902.db2.gz FXQFLAHNZDWFFF-GGAZOKNXSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001026043503 798987905 /nfs/dbraw/zinc/98/79/05/798987905.db2.gz FXQFLAHNZDWFFF-GGAZOKNXSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001026140346 798990954 /nfs/dbraw/zinc/99/09/54/798990954.db2.gz HWEXHSMRLWBCNX-SSKLVLDBSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001026140346 798990959 /nfs/dbraw/zinc/99/09/59/798990959.db2.gz HWEXHSMRLWBCNX-SSKLVLDBSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001026140346 798990963 /nfs/dbraw/zinc/99/09/63/798990963.db2.gz HWEXHSMRLWBCNX-SSKLVLDBSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001026140346 798990965 /nfs/dbraw/zinc/99/09/65/798990965.db2.gz HWEXHSMRLWBCNX-SSKLVLDBSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CC(N)=O)CC2)CC[N@H+]1C ZINC001026496564 799007139 /nfs/dbraw/zinc/00/71/39/799007139.db2.gz KGUKODACOOORKA-IKWCTNDRSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cnon3)C2)C1 ZINC001027216868 799033553 /nfs/dbraw/zinc/03/35/53/799033553.db2.gz YNWOBYISTSALSW-NEPJUHHUSA-N 2 1 293.371 -0.041 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001027461771 799050078 /nfs/dbraw/zinc/05/00/78/799050078.db2.gz PEECSKWWJMBECQ-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001027461771 799050084 /nfs/dbraw/zinc/05/00/84/799050084.db2.gz PEECSKWWJMBECQ-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681582 799064511 /nfs/dbraw/zinc/06/45/11/799064511.db2.gz YKFWNMMIMXGUCH-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC001027806232 799082657 /nfs/dbraw/zinc/08/26/57/799082657.db2.gz FMBYHBQHBIMQLL-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC001027806232 799082661 /nfs/dbraw/zinc/08/26/61/799082661.db2.gz FMBYHBQHBIMQLL-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001027806232 799082668 /nfs/dbraw/zinc/08/26/68/799082668.db2.gz FMBYHBQHBIMQLL-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001027806232 799082672 /nfs/dbraw/zinc/08/26/72/799082672.db2.gz FMBYHBQHBIMQLL-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CCO)CC[N@H+]1C ZINC001027893787 799092942 /nfs/dbraw/zinc/09/29/42/799092942.db2.gz GEDDNTWIDDMQHT-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCO)CC[NH+]1C ZINC001027893787 799092949 /nfs/dbraw/zinc/09/29/49/799092949.db2.gz GEDDNTWIDDMQHT-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCO)CC[NH+]1C ZINC001027893787 799092956 /nfs/dbraw/zinc/09/29/56/799092956.db2.gz GEDDNTWIDDMQHT-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027884658 799093113 /nfs/dbraw/zinc/09/31/13/799093113.db2.gz NXRCVDOACDIUAF-CHWSQXEVSA-N 2 1 294.399 -0.606 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027884658 799093120 /nfs/dbraw/zinc/09/31/20/799093120.db2.gz NXRCVDOACDIUAF-CHWSQXEVSA-N 2 1 294.399 -0.606 20 0 CBADMP O=C(NC[C@H]1CCC[N@@H+]1CCO)[C@H]1C[NH+]2CCC1CC2 ZINC001027885360 799094076 /nfs/dbraw/zinc/09/40/76/799094076.db2.gz DCCVZKDMBVWOHU-KGLIPLIRSA-N 2 1 281.400 -0.099 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001028094408 799108696 /nfs/dbraw/zinc/10/86/96/799108696.db2.gz YWPYXWJJVABCCP-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCO)C1 ZINC001028094408 799108698 /nfs/dbraw/zinc/10/86/98/799108698.db2.gz YWPYXWJJVABCCP-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCO)C1 ZINC001028094408 799108701 /nfs/dbraw/zinc/10/87/01/799108701.db2.gz YWPYXWJJVABCCP-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028117669 799110140 /nfs/dbraw/zinc/11/01/40/799110140.db2.gz ROFBEJDOEQFKRJ-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028117669 799110144 /nfs/dbraw/zinc/11/01/44/799110144.db2.gz ROFBEJDOEQFKRJ-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP CN(C)C(=O)CN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028313945 799121719 /nfs/dbraw/zinc/12/17/19/799121719.db2.gz DERWWKQLVPSGRG-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028313945 799121721 /nfs/dbraw/zinc/12/17/21/799121721.db2.gz DERWWKQLVPSGRG-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028313945 799121725 /nfs/dbraw/zinc/12/17/25/799121725.db2.gz DERWWKQLVPSGRG-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001028313945 799121726 /nfs/dbraw/zinc/12/17/26/799121726.db2.gz DERWWKQLVPSGRG-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028313945 799121729 /nfs/dbraw/zinc/12/17/29/799121729.db2.gz DERWWKQLVPSGRG-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCN1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCO)C1 ZINC001028327712 799122353 /nfs/dbraw/zinc/12/23/53/799122353.db2.gz BQFLBIDQVDGQJQ-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001028327712 799122357 /nfs/dbraw/zinc/12/23/57/799122357.db2.gz BQFLBIDQVDGQJQ-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001028327712 799122361 /nfs/dbraw/zinc/12/23/61/799122361.db2.gz BQFLBIDQVDGQJQ-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCO)C1 ZINC001028327712 799122363 /nfs/dbraw/zinc/12/23/63/799122363.db2.gz BQFLBIDQVDGQJQ-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCO)C1 ZINC001028318636 799123032 /nfs/dbraw/zinc/12/30/32/799123032.db2.gz BATJQNGOLJGEMI-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCO)C1 ZINC001028318636 799123036 /nfs/dbraw/zinc/12/30/36/799123036.db2.gz BATJQNGOLJGEMI-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC001028320565 799123467 /nfs/dbraw/zinc/12/34/67/799123467.db2.gz SOKWOFSEJCEBMB-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001028320565 799123469 /nfs/dbraw/zinc/12/34/69/799123469.db2.gz SOKWOFSEJCEBMB-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC001028320565 799123474 /nfs/dbraw/zinc/12/34/74/799123474.db2.gz SOKWOFSEJCEBMB-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCO)C1 ZINC001028445918 799137407 /nfs/dbraw/zinc/13/74/07/799137407.db2.gz XHUAOPZIERXUDQ-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001028445918 799137411 /nfs/dbraw/zinc/13/74/11/799137411.db2.gz XHUAOPZIERXUDQ-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001028445918 799137415 /nfs/dbraw/zinc/13/74/15/799137415.db2.gz XHUAOPZIERXUDQ-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447246 799138085 /nfs/dbraw/zinc/13/80/85/799138085.db2.gz NZGKEAXNPBIPHA-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001028447246 799138088 /nfs/dbraw/zinc/13/80/88/799138088.db2.gz NZGKEAXNPBIPHA-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001028447246 799138089 /nfs/dbraw/zinc/13/80/89/799138089.db2.gz NZGKEAXNPBIPHA-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001028462044 799140495 /nfs/dbraw/zinc/14/04/95/799140495.db2.gz XAZPLSFLVVIBLX-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001028462044 799140499 /nfs/dbraw/zinc/14/04/99/799140499.db2.gz XAZPLSFLVVIBLX-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001028462044 799140505 /nfs/dbraw/zinc/14/05/05/799140505.db2.gz XAZPLSFLVVIBLX-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001028462044 799140527 /nfs/dbraw/zinc/14/05/27/799140527.db2.gz XAZPLSFLVVIBLX-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001028539385 799149921 /nfs/dbraw/zinc/14/99/21/799149921.db2.gz VNHZLXLPNRLBSC-TZMCWYRMSA-N 2 1 281.400 -0.241 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001028580503 799152994 /nfs/dbraw/zinc/15/29/94/799152994.db2.gz XITGEFHQCHCYTP-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001028580503 799152998 /nfs/dbraw/zinc/15/29/98/799152998.db2.gz XITGEFHQCHCYTP-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028580503 799153002 /nfs/dbraw/zinc/15/30/02/799153002.db2.gz XITGEFHQCHCYTP-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001028635695 799156405 /nfs/dbraw/zinc/15/64/05/799156405.db2.gz DWDFUUDQMBWSDZ-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001028635695 799156408 /nfs/dbraw/zinc/15/64/08/799156408.db2.gz DWDFUUDQMBWSDZ-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001028635695 799156412 /nfs/dbraw/zinc/15/64/12/799156412.db2.gz DWDFUUDQMBWSDZ-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001028635952 799156638 /nfs/dbraw/zinc/15/66/38/799156638.db2.gz HYTFXFLAJAMMCN-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001028635952 799156640 /nfs/dbraw/zinc/15/66/40/799156640.db2.gz HYTFXFLAJAMMCN-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028635952 799156641 /nfs/dbraw/zinc/15/66/41/799156641.db2.gz HYTFXFLAJAMMCN-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001028778193 799170049 /nfs/dbraw/zinc/17/00/49/799170049.db2.gz CWQJJRXYYMBVDR-NSHDSACASA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028931415 799181457 /nfs/dbraw/zinc/18/14/57/799181457.db2.gz QEFGLHARROQYSC-NWDGAFQWSA-N 2 1 294.399 -0.606 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028929619 799181526 /nfs/dbraw/zinc/18/15/26/799181526.db2.gz HZAXAAULDDJBCS-GFCCVEGCSA-N 2 1 294.399 -0.734 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028929620 799181695 /nfs/dbraw/zinc/18/16/95/799181695.db2.gz HZAXAAULDDJBCS-LBPRGKRZSA-N 2 1 294.399 -0.734 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCCO)C2)C1 ZINC001028997795 799185825 /nfs/dbraw/zinc/18/58/25/799185825.db2.gz ZVIFTCKQTNYNEM-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCCO)C2)C1 ZINC001028997795 799185830 /nfs/dbraw/zinc/18/58/30/799185830.db2.gz ZVIFTCKQTNYNEM-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001028997795 799185836 /nfs/dbraw/zinc/18/58/36/799185836.db2.gz ZVIFTCKQTNYNEM-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001028997795 799185842 /nfs/dbraw/zinc/18/58/42/799185842.db2.gz ZVIFTCKQTNYNEM-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO)C1CC1 ZINC001029338073 799195535 /nfs/dbraw/zinc/19/55/35/799195535.db2.gz RKHJASZLINLAIG-HZSPNIEDSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)C1CC1 ZINC001029338073 799195539 /nfs/dbraw/zinc/19/55/39/799195539.db2.gz RKHJASZLINLAIG-HZSPNIEDSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)CC1 ZINC001029453138 799199855 /nfs/dbraw/zinc/19/98/55/799199855.db2.gz KMPXOKUAFKPUJZ-OKILXGFUSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001030161044 799251998 /nfs/dbraw/zinc/25/19/98/799251998.db2.gz IZTXEAZWLUZEOT-YPMHNXCESA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001030161044 799252006 /nfs/dbraw/zinc/25/20/06/799252006.db2.gz IZTXEAZWLUZEOT-YPMHNXCESA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031585554 799513221 /nfs/dbraw/zinc/51/32/21/799513221.db2.gz ZHKMQUGPLOJYQZ-AAEUAGOBSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031585554 799513224 /nfs/dbraw/zinc/51/32/24/799513224.db2.gz ZHKMQUGPLOJYQZ-AAEUAGOBSA-N 2 1 296.415 -0.395 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001031596850 799516547 /nfs/dbraw/zinc/51/65/47/799516547.db2.gz QKQXVPNUOUIYBI-TZMCWYRMSA-N 2 1 297.399 -0.599 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001031596850 799516553 /nfs/dbraw/zinc/51/65/53/799516553.db2.gz QKQXVPNUOUIYBI-TZMCWYRMSA-N 2 1 297.399 -0.599 20 0 CBADMP CC[C@H](C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1)OC ZINC001031596452 799516703 /nfs/dbraw/zinc/51/67/03/799516703.db2.gz LJROGYADUWOANQ-KGLIPLIRSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[C@H](C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)OC ZINC001031596452 799516707 /nfs/dbraw/zinc/51/67/07/799516707.db2.gz LJROGYADUWOANQ-KGLIPLIRSA-N 2 1 299.415 -0.210 20 0 CBADMP COC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765643 799541892 /nfs/dbraw/zinc/54/18/92/799541892.db2.gz KDUHWCMHTLFZQV-YRGRVCCFSA-N 2 1 299.415 -0.212 20 0 CBADMP COC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765643 799541894 /nfs/dbraw/zinc/54/18/94/799541894.db2.gz KDUHWCMHTLFZQV-YRGRVCCFSA-N 2 1 299.415 -0.212 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001031921525 799562491 /nfs/dbraw/zinc/56/24/91/799562491.db2.gz RWAVCAKUTCWMCO-TZMCWYRMSA-N 2 1 299.415 -0.476 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031948741 799565226 /nfs/dbraw/zinc/56/52/26/799565226.db2.gz MZECDRAZFAPKPK-LLVKDONJSA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186027 799590209 /nfs/dbraw/zinc/59/02/09/799590209.db2.gz GLQXCKKAIBONRT-PWSUYJOCSA-N 2 1 255.362 -0.633 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCCO)C2)C1 ZINC001032185830 799591086 /nfs/dbraw/zinc/59/10/86/799591086.db2.gz CWHYALKDGPPXBG-GFCCVEGCSA-N 2 1 255.362 -0.632 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001032205907 799593974 /nfs/dbraw/zinc/59/39/74/799593974.db2.gz MFMVVPYLEOLKBK-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO)C1CCC1 ZINC001032447886 799628632 /nfs/dbraw/zinc/62/86/32/799628632.db2.gz FHLSIRWGAANCPS-STQMWFEESA-N 2 1 267.373 -0.252 20 0 CBADMP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO)C1CCC1 ZINC001032447886 799628635 /nfs/dbraw/zinc/62/86/35/799628635.db2.gz FHLSIRWGAANCPS-STQMWFEESA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO)C1CCC1 ZINC001032447886 799628640 /nfs/dbraw/zinc/62/86/40/799628640.db2.gz FHLSIRWGAANCPS-STQMWFEESA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO)C1CCC1 ZINC001032447886 799628642 /nfs/dbraw/zinc/62/86/42/799628642.db2.gz FHLSIRWGAANCPS-STQMWFEESA-N 2 1 267.373 -0.252 20 0 CBADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO)[NH+](C)C ZINC001032473770 799632906 /nfs/dbraw/zinc/63/29/06/799632906.db2.gz BOCJEYPHBUZYIJ-RWMBFGLXSA-N 2 1 269.389 -0.006 20 0 CBADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO)[NH+](C)C ZINC001032473770 799632910 /nfs/dbraw/zinc/63/29/10/799632910.db2.gz BOCJEYPHBUZYIJ-RWMBFGLXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001032564829 799643135 /nfs/dbraw/zinc/64/31/35/799643135.db2.gz KLVAFXABEJLQEQ-MROQNXINSA-N 2 1 267.373 -0.254 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001032564829 799643137 /nfs/dbraw/zinc/64/31/37/799643137.db2.gz KLVAFXABEJLQEQ-MROQNXINSA-N 2 1 267.373 -0.254 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001032564829 799643138 /nfs/dbraw/zinc/64/31/38/799643138.db2.gz KLVAFXABEJLQEQ-MROQNXINSA-N 2 1 267.373 -0.254 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001032564829 799643141 /nfs/dbraw/zinc/64/31/41/799643141.db2.gz KLVAFXABEJLQEQ-MROQNXINSA-N 2 1 267.373 -0.254 20 0 CBADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001032982750 799699182 /nfs/dbraw/zinc/69/91/82/799699182.db2.gz XRLYIBKBNNQUMT-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001032982750 799699179 /nfs/dbraw/zinc/69/91/79/799699179.db2.gz XRLYIBKBNNQUMT-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCCO)C1 ZINC001032982750 799699186 /nfs/dbraw/zinc/69/91/86/799699186.db2.gz XRLYIBKBNNQUMT-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCCO)C1 ZINC001032982750 799699190 /nfs/dbraw/zinc/69/91/90/799699190.db2.gz XRLYIBKBNNQUMT-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCO)C2)CC[N@H+]1C ZINC001033091929 799714946 /nfs/dbraw/zinc/71/49/46/799714946.db2.gz OBYCQPLZPDZEIA-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCO)C2)CC[NH+]1C ZINC001033091929 799714949 /nfs/dbraw/zinc/71/49/49/799714949.db2.gz OBYCQPLZPDZEIA-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001033091929 799714955 /nfs/dbraw/zinc/71/49/55/799714955.db2.gz OBYCQPLZPDZEIA-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](CCO)C1 ZINC001033083115 799715078 /nfs/dbraw/zinc/71/50/78/799715078.db2.gz VUAOCKAVBKKHAM-KBPBESRZSA-N 2 1 281.400 -0.147 20 0 CBADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](CCO)C1 ZINC001033083122 799715432 /nfs/dbraw/zinc/71/54/32/799715432.db2.gz VUAOCKAVBKKHAM-UONOGXRCSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCO)C2)O1 ZINC001033183829 799724866 /nfs/dbraw/zinc/72/48/66/799724866.db2.gz GBZAITCGMQEHKD-FRRDWIJNSA-N 2 1 285.388 -0.770 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCO)C2)O1 ZINC001033183829 799724869 /nfs/dbraw/zinc/72/48/69/799724869.db2.gz GBZAITCGMQEHKD-FRRDWIJNSA-N 2 1 285.388 -0.770 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCO)C2)O1 ZINC001033183829 799724871 /nfs/dbraw/zinc/72/48/71/799724871.db2.gz GBZAITCGMQEHKD-FRRDWIJNSA-N 2 1 285.388 -0.770 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCO)C2)O1 ZINC001033183829 799724875 /nfs/dbraw/zinc/72/48/75/799724875.db2.gz GBZAITCGMQEHKD-FRRDWIJNSA-N 2 1 285.388 -0.770 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](CCO)C2)C1 ZINC001033357528 799742973 /nfs/dbraw/zinc/74/29/73/799742973.db2.gz HWNRUQSPDOWUIW-KBPBESRZSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](CCO)C2)C1 ZINC001033357528 799742976 /nfs/dbraw/zinc/74/29/76/799742976.db2.gz HWNRUQSPDOWUIW-KBPBESRZSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCO)C2)C1 ZINC001033357528 799742980 /nfs/dbraw/zinc/74/29/80/799742980.db2.gz HWNRUQSPDOWUIW-KBPBESRZSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001033357528 799742981 /nfs/dbraw/zinc/74/29/81/799742981.db2.gz HWNRUQSPDOWUIW-KBPBESRZSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CCO)C1 ZINC001033421664 799751507 /nfs/dbraw/zinc/75/15/07/799751507.db2.gz DJYPTKQPXZRKJI-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](CCO)C1 ZINC001033421664 799751510 /nfs/dbraw/zinc/75/15/10/799751510.db2.gz DJYPTKQPXZRKJI-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033421664 799751514 /nfs/dbraw/zinc/75/15/14/799751514.db2.gz DJYPTKQPXZRKJI-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033580418 799769076 /nfs/dbraw/zinc/76/90/76/799769076.db2.gz DQQCMGAGGHFRKB-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033580418 799769082 /nfs/dbraw/zinc/76/90/82/799769082.db2.gz DQQCMGAGGHFRKB-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033580418 799769089 /nfs/dbraw/zinc/76/90/89/799769089.db2.gz DQQCMGAGGHFRKB-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033580418 799769096 /nfs/dbraw/zinc/76/90/96/799769096.db2.gz DQQCMGAGGHFRKB-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593917 799770058 /nfs/dbraw/zinc/77/00/58/799770058.db2.gz OFBFMGVUPYYKGD-VXGBXAGGSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593917 799770062 /nfs/dbraw/zinc/77/00/62/799770062.db2.gz OFBFMGVUPYYKGD-VXGBXAGGSA-N 2 1 294.399 -0.511 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033581342 799770324 /nfs/dbraw/zinc/77/03/24/799770324.db2.gz JPZQXEVFIYFCIC-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033581342 799770330 /nfs/dbraw/zinc/77/03/30/799770330.db2.gz JPZQXEVFIYFCIC-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033581342 799770332 /nfs/dbraw/zinc/77/03/32/799770332.db2.gz JPZQXEVFIYFCIC-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033581342 799770337 /nfs/dbraw/zinc/77/03/37/799770337.db2.gz JPZQXEVFIYFCIC-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033663175 799778905 /nfs/dbraw/zinc/77/89/05/799778905.db2.gz UNGUNFMIBJSGNH-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCO)C1 ZINC001033663175 799778908 /nfs/dbraw/zinc/77/89/08/799778908.db2.gz UNGUNFMIBJSGNH-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCO)C1 ZINC001033663175 799778909 /nfs/dbraw/zinc/77/89/09/799778909.db2.gz UNGUNFMIBJSGNH-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001034040934 799807063 /nfs/dbraw/zinc/80/70/63/799807063.db2.gz ZZRPYVGNHBZLTL-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001034040934 799807067 /nfs/dbraw/zinc/80/70/67/799807067.db2.gz ZZRPYVGNHBZLTL-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001034040934 799807076 /nfs/dbraw/zinc/80/70/76/799807076.db2.gz ZZRPYVGNHBZLTL-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001034040934 799807078 /nfs/dbraw/zinc/80/70/78/799807078.db2.gz ZZRPYVGNHBZLTL-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)C1 ZINC001034775485 799855390 /nfs/dbraw/zinc/85/53/90/799855390.db2.gz ASFCWWCAQFUVIG-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)C1 ZINC001034793240 799856352 /nfs/dbraw/zinc/85/63/52/799856352.db2.gz USFUZOJYHULCEW-SRVKXCTJSA-N 2 1 282.388 -0.560 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001035014636 799863857 /nfs/dbraw/zinc/86/38/57/799863857.db2.gz ZQPYBAWJKMSZHF-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035493114 799933568 /nfs/dbraw/zinc/93/35/68/799933568.db2.gz ZBTQPZQKKXGWHO-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035493114 799933574 /nfs/dbraw/zinc/93/35/74/799933574.db2.gz ZBTQPZQKKXGWHO-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)CC1 ZINC001035499385 799933787 /nfs/dbraw/zinc/93/37/87/799933787.db2.gz FSUITEBYWNHXFF-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)CC1 ZINC001035499385 799933791 /nfs/dbraw/zinc/93/37/91/799933791.db2.gz FSUITEBYWNHXFF-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035493111 799934312 /nfs/dbraw/zinc/93/43/12/799934312.db2.gz ZBTQPZQKKXGWHO-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035493111 799934317 /nfs/dbraw/zinc/93/43/17/799934317.db2.gz ZBTQPZQKKXGWHO-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP O=C(NC[C@@H]1C[N@H+](CCCO)CCO1)C12CC[NH+](CC1)C2 ZINC001035579534 799949565 /nfs/dbraw/zinc/94/95/65/799949565.db2.gz KLPMUKXRGCAJNO-CYBMUJFWSA-N 2 1 297.399 -0.718 20 0 CBADMP O=C(NC[C@@H]1C[N@@H+](CCCO)CCO1)C12CC[NH+](CC1)C2 ZINC001035579534 799949570 /nfs/dbraw/zinc/94/95/70/799949570.db2.gz KLPMUKXRGCAJNO-CYBMUJFWSA-N 2 1 297.399 -0.718 20 0 CBADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036064046 799976465 /nfs/dbraw/zinc/97/64/65/799976465.db2.gz LJSZPKQVCSSBLB-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001036113520 799977498 /nfs/dbraw/zinc/97/74/98/799977498.db2.gz RKLXBANENNBESY-CMPLNLGQSA-N 2 1 293.371 -0.497 20 0 CBADMP NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036895790 800013700 /nfs/dbraw/zinc/01/37/00/800013700.db2.gz DPNXCBNHQWQXTM-STQMWFEESA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCO ZINC001038120187 800055535 /nfs/dbraw/zinc/05/55/35/800055535.db2.gz ZKJHBPYPIVYYRU-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCO ZINC001038120187 800055545 /nfs/dbraw/zinc/05/55/45/800055545.db2.gz ZKJHBPYPIVYYRU-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001038120187 800055550 /nfs/dbraw/zinc/05/55/50/800055550.db2.gz ZKJHBPYPIVYYRU-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001038120187 800055559 /nfs/dbraw/zinc/05/55/59/800055559.db2.gz ZKJHBPYPIVYYRU-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP CN1CCO[C@H](C(=O)NC[C@H]2CC[N@H+]2CC2CC2)C1 ZINC001038138309 800061809 /nfs/dbraw/zinc/06/18/09/800061809.db2.gz VFEILFMVRAMKCS-OLZOCXBDSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CC2CC2)C1 ZINC001038138309 800061815 /nfs/dbraw/zinc/06/18/15/800061815.db2.gz VFEILFMVRAMKCS-OLZOCXBDSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CC2CC2)C1 ZINC001038138309 800061818 /nfs/dbraw/zinc/06/18/18/800061818.db2.gz VFEILFMVRAMKCS-OLZOCXBDSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+]2CC2CC2)C1 ZINC001038138309 800061834 /nfs/dbraw/zinc/06/18/34/800061834.db2.gz VFEILFMVRAMKCS-OLZOCXBDSA-N 2 1 267.373 -0.083 20 0 CBADMP CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038141220 800063082 /nfs/dbraw/zinc/06/30/82/800063082.db2.gz KQZRJQNJZTZRLQ-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038141220 800063067 /nfs/dbraw/zinc/06/30/67/800063067.db2.gz KQZRJQNJZTZRLQ-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038141220 800063074 /nfs/dbraw/zinc/06/30/74/800063074.db2.gz KQZRJQNJZTZRLQ-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038141220 800063088 /nfs/dbraw/zinc/06/30/88/800063088.db2.gz KQZRJQNJZTZRLQ-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038141218 800063674 /nfs/dbraw/zinc/06/36/74/800063674.db2.gz KQZRJQNJZTZRLQ-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038141218 800063678 /nfs/dbraw/zinc/06/36/78/800063678.db2.gz KQZRJQNJZTZRLQ-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038141218 800063684 /nfs/dbraw/zinc/06/36/84/800063684.db2.gz KQZRJQNJZTZRLQ-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038141218 800063691 /nfs/dbraw/zinc/06/36/91/800063691.db2.gz KQZRJQNJZTZRLQ-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP O=C(NC[C@H]1CC[N@@H+]1CCCO)[C@H]1C[NH+]2CCC1CC2 ZINC001038247542 800087090 /nfs/dbraw/zinc/08/70/90/800087090.db2.gz INQYVIWDNYZRCA-KGLIPLIRSA-N 2 1 281.400 -0.099 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+]1CCO)[C@H]1C[NH+]2CCC1CC2 ZINC001038260999 800089755 /nfs/dbraw/zinc/08/97/55/800089755.db2.gz IPYPJKGSLRQZOH-STQMWFEESA-N 2 1 267.373 -0.489 20 0 CBADMP O=C(NC[C@@H]1CC[N@@H+]1CCO)[C@H]1C[NH+]2CCC1CC2 ZINC001038260999 800089763 /nfs/dbraw/zinc/08/97/63/800089763.db2.gz IPYPJKGSLRQZOH-STQMWFEESA-N 2 1 267.373 -0.489 20 0 CBADMP O=C(NC[C@H]1CC[N@H+]1CCO)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038539217 800126099 /nfs/dbraw/zinc/12/60/99/800126099.db2.gz ZWSDPUJOPHQTFB-ICRTXTNUSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(NC[C@H]1CC[N@@H+]1CCO)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038539217 800126103 /nfs/dbraw/zinc/12/61/03/800126103.db2.gz ZWSDPUJOPHQTFB-ICRTXTNUSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(NC[C@H]1CC[NH+]1CCO)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038539217 800126108 /nfs/dbraw/zinc/12/61/08/800126108.db2.gz ZWSDPUJOPHQTFB-ICRTXTNUSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(NC[C@H]1CC[NH+]1CCO)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038539217 800126110 /nfs/dbraw/zinc/12/61/10/800126110.db2.gz ZWSDPUJOPHQTFB-ICRTXTNUSA-N 2 1 295.383 -0.968 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001038628112 801230755 /nfs/dbraw/zinc/23/07/55/801230755.db2.gz NDPJRFBTIHLCPY-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCCO)C1 ZINC001038628112 801230762 /nfs/dbraw/zinc/23/07/62/801230762.db2.gz NDPJRFBTIHLCPY-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCCO)C1 ZINC001038628112 801230769 /nfs/dbraw/zinc/23/07/69/801230769.db2.gz NDPJRFBTIHLCPY-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCO)C1 ZINC001040005934 801307742 /nfs/dbraw/zinc/30/77/42/801307742.db2.gz LUPFTXOJDCQANG-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCO)C1 ZINC001040005934 801307751 /nfs/dbraw/zinc/30/77/51/801307751.db2.gz LUPFTXOJDCQANG-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCO)C1 ZINC001040005934 801307760 /nfs/dbraw/zinc/30/77/60/801307760.db2.gz LUPFTXOJDCQANG-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001040005934 801307762 /nfs/dbraw/zinc/30/77/62/801307762.db2.gz LUPFTXOJDCQANG-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@]3(CC[NH+](CC(N)=O)C3)C2)C1 ZINC001041829571 801422730 /nfs/dbraw/zinc/42/27/30/801422730.db2.gz YBIHLWYNQIPNMA-SWLSCSKDSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)C1 ZINC001041829571 801422734 /nfs/dbraw/zinc/42/27/34/801422734.db2.gz YBIHLWYNQIPNMA-SWLSCSKDSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)C1 ZINC001041829571 801422741 /nfs/dbraw/zinc/42/27/41/801422741.db2.gz YBIHLWYNQIPNMA-SWLSCSKDSA-N 2 1 294.399 -0.652 20 0 CBADMP NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042358501 801458676 /nfs/dbraw/zinc/45/86/76/801458676.db2.gz RVQJDBAMBUFLOV-STQMWFEESA-N 2 1 294.399 -0.510 20 0 CBADMP NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042358500 801458871 /nfs/dbraw/zinc/45/88/71/801458871.db2.gz RVQJDBAMBUFLOV-QWHCGFSZSA-N 2 1 294.399 -0.510 20 0 CBADMP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001042731700 801514482 /nfs/dbraw/zinc/51/44/82/801514482.db2.gz QJCLVORTFNKHDY-BXUZGUMPSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001043881588 801600067 /nfs/dbraw/zinc/60/00/67/801600067.db2.gz MLVXXPBIJCMASO-YPMHNXCESA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001043881588 801600072 /nfs/dbraw/zinc/60/00/72/801600072.db2.gz MLVXXPBIJCMASO-YPMHNXCESA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044292511 801637365 /nfs/dbraw/zinc/63/73/65/801637365.db2.gz OPQIZIOPHOBJJU-QWRGUYRKSA-N 2 1 255.362 -0.539 20 0 CBADMP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001044292511 801637369 /nfs/dbraw/zinc/63/73/69/801637369.db2.gz OPQIZIOPHOBJJU-QWRGUYRKSA-N 2 1 255.362 -0.539 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001044780615 801669230 /nfs/dbraw/zinc/66/92/30/801669230.db2.gz QLTPSYTZHACARL-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001045385437 801694249 /nfs/dbraw/zinc/69/42/49/801694249.db2.gz OZMKBUKTSSWNDC-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001045385437 801694254 /nfs/dbraw/zinc/69/42/54/801694254.db2.gz OZMKBUKTSSWNDC-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CC[NH+](CCO)CC2)O1 ZINC001045479118 801699614 /nfs/dbraw/zinc/69/96/14/801699614.db2.gz RXPVDFQCZWYUSM-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CC[NH+](CCO)CC2)O1 ZINC001045479118 801699617 /nfs/dbraw/zinc/69/96/17/801699617.db2.gz RXPVDFQCZWYUSM-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045639647 801708094 /nfs/dbraw/zinc/70/80/94/801708094.db2.gz ONHQRPKDPHFFKR-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP CC1(NC(=O)C23CC[NH+](CC2)C3)CC[NH+](CC(N)=O)CC1 ZINC001045621950 801708694 /nfs/dbraw/zinc/70/86/94/801708694.db2.gz WQRRCVPHALLEJU-UHFFFAOYSA-N 2 1 294.399 -0.462 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046839967 801797444 /nfs/dbraw/zinc/79/74/44/801797444.db2.gz VIHAQWZHGMHEHA-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCCO)C2)C1 ZINC001046839967 801797451 /nfs/dbraw/zinc/79/74/51/801797451.db2.gz VIHAQWZHGMHEHA-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCO)C2)C1 ZINC001046839967 801797458 /nfs/dbraw/zinc/79/74/58/801797458.db2.gz VIHAQWZHGMHEHA-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047427675 801867850 /nfs/dbraw/zinc/86/78/50/801867850.db2.gz AFKYKWFADWVCOV-ZOBORPQBSA-N 2 1 299.415 -0.381 20 0 CBADMP CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047427675 801867858 /nfs/dbraw/zinc/86/78/58/801867858.db2.gz AFKYKWFADWVCOV-ZOBORPQBSA-N 2 1 299.415 -0.381 20 0 CBADMP CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001047427675 801867861 /nfs/dbraw/zinc/86/78/61/801867861.db2.gz AFKYKWFADWVCOV-ZOBORPQBSA-N 2 1 299.415 -0.381 20 0 CBADMP CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001047427675 801867868 /nfs/dbraw/zinc/86/78/68/801867868.db2.gz AFKYKWFADWVCOV-ZOBORPQBSA-N 2 1 299.415 -0.381 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047486679 801882873 /nfs/dbraw/zinc/88/28/73/801882873.db2.gz NMOGJPKVCPCYKU-CRWXNKLISA-N 2 1 299.415 -0.381 20 0 CBADMP COC[C@H](C)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001047486679 801882881 /nfs/dbraw/zinc/88/28/81/801882881.db2.gz NMOGJPKVCPCYKU-CRWXNKLISA-N 2 1 299.415 -0.381 20 0 CBADMP COC[C@H](C)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047486679 801882889 /nfs/dbraw/zinc/88/28/89/801882889.db2.gz NMOGJPKVCPCYKU-CRWXNKLISA-N 2 1 299.415 -0.381 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001047528884 801894510 /nfs/dbraw/zinc/89/45/10/801894510.db2.gz GPPZADVSVABVMK-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]cnc2C)C1 ZINC001047611816 801912165 /nfs/dbraw/zinc/91/21/65/801912165.db2.gz KUDYNYHYCBBPOC-RYUDHWBXSA-N 2 1 266.345 -0.216 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047624326 801912236 /nfs/dbraw/zinc/91/22/36/801912236.db2.gz HDHNHXBYLIGNNZ-STQMWFEESA-N 2 1 296.371 -0.923 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047624326 801912238 /nfs/dbraw/zinc/91/22/38/801912238.db2.gz HDHNHXBYLIGNNZ-STQMWFEESA-N 2 1 296.371 -0.923 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001047630174 801913124 /nfs/dbraw/zinc/91/31/24/801913124.db2.gz LXIOTFXEYFCMFM-DRZSPHRISA-N 2 1 296.371 -0.924 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001047630174 801913129 /nfs/dbraw/zinc/91/31/29/801913129.db2.gz LXIOTFXEYFCMFM-DRZSPHRISA-N 2 1 296.371 -0.924 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2C[NH+](C(C)C)C[C@@H]2O)C1 ZINC001047634179 801913595 /nfs/dbraw/zinc/91/35/95/801913595.db2.gz YHRMOGSEYJGYLX-IHRRRGAJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2C[NH+](C(C)C)C[C@@H]2O)C1 ZINC001047634179 801913600 /nfs/dbraw/zinc/91/36/00/801913600.db2.gz YHRMOGSEYJGYLX-IHRRRGAJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2C[N@@H+](C(C)C)C[C@@H]2O)C1 ZINC001047634179 801913603 /nfs/dbraw/zinc/91/36/03/801913603.db2.gz YHRMOGSEYJGYLX-IHRRRGAJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2C[N@H+](C(C)C)C[C@@H]2O)C1 ZINC001047634179 801913608 /nfs/dbraw/zinc/91/36/08/801913608.db2.gz YHRMOGSEYJGYLX-IHRRRGAJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047626841 801914204 /nfs/dbraw/zinc/91/42/04/801914204.db2.gz HKLBOSRABVAJPJ-STQMWFEESA-N 2 1 269.389 -0.006 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048721066 801956371 /nfs/dbraw/zinc/95/63/71/801956371.db2.gz WFYWQLMEKLXRFW-XQQFMLRXSA-N 2 1 294.399 -0.783 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048721066 801956372 /nfs/dbraw/zinc/95/63/72/801956372.db2.gz WFYWQLMEKLXRFW-XQQFMLRXSA-N 2 1 294.399 -0.783 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048721066 801956376 /nfs/dbraw/zinc/95/63/76/801956376.db2.gz WFYWQLMEKLXRFW-XQQFMLRXSA-N 2 1 294.399 -0.783 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)C1CC1 ZINC001048863947 801976447 /nfs/dbraw/zinc/97/64/47/801976447.db2.gz QOWVOZKDGOLDLC-HZSPNIEDSA-N 2 1 281.400 -0.291 20 0 CBADMP 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 801994887 /nfs/dbraw/zinc/99/48/87/801994887.db2.gz KJHJDMWNRKINCD-NDBYEHHHSA-N 2 1 294.399 -0.940 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001049059961 801994889 /nfs/dbraw/zinc/99/48/89/801994889.db2.gz KJHJDMWNRKINCD-NDBYEHHHSA-N 2 1 294.399 -0.940 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049059961 801994891 /nfs/dbraw/zinc/99/48/91/801994891.db2.gz KJHJDMWNRKINCD-NDBYEHHHSA-N 2 1 294.399 -0.940 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001049056933 801995636 /nfs/dbraw/zinc/99/56/36/801995636.db2.gz DSHBFEJSSZRWOE-MCIONIFRSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049056933 801995642 /nfs/dbraw/zinc/99/56/42/801995642.db2.gz DSHBFEJSSZRWOE-MCIONIFRSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049056933 801995645 /nfs/dbraw/zinc/99/56/45/801995645.db2.gz DSHBFEJSSZRWOE-MCIONIFRSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001049060086 801995964 /nfs/dbraw/zinc/99/59/64/801995964.db2.gz MYWTZEUFCJFOTM-IGQOVBAYSA-N 2 1 281.400 -0.433 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049060086 801995967 /nfs/dbraw/zinc/99/59/67/801995967.db2.gz MYWTZEUFCJFOTM-IGQOVBAYSA-N 2 1 281.400 -0.433 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049060086 801995973 /nfs/dbraw/zinc/99/59/73/801995973.db2.gz MYWTZEUFCJFOTM-IGQOVBAYSA-N 2 1 281.400 -0.433 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001049060085 801996373 /nfs/dbraw/zinc/99/63/73/801996373.db2.gz MYWTZEUFCJFOTM-FQUUOJAGSA-N 2 1 281.400 -0.433 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049060085 801996380 /nfs/dbraw/zinc/99/63/80/801996380.db2.gz MYWTZEUFCJFOTM-FQUUOJAGSA-N 2 1 281.400 -0.433 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049060085 801996382 /nfs/dbraw/zinc/99/63/82/801996382.db2.gz MYWTZEUFCJFOTM-FQUUOJAGSA-N 2 1 281.400 -0.433 20 0 CBADMP 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 802005152 /nfs/dbraw/zinc/00/51/52/802005152.db2.gz CLBXVPKQTLGLDD-XQHKEYJVSA-N 2 1 294.399 -0.798 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049212593 802005159 /nfs/dbraw/zinc/00/51/59/802005159.db2.gz CLBXVPKQTLGLDD-XQHKEYJVSA-N 2 1 294.399 -0.798 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CCCO)C[C@@H]3C2)C1 ZINC001049215234 802007360 /nfs/dbraw/zinc/00/73/60/802007360.db2.gz PLXWSQDODNMDBQ-MELADBBJSA-N 2 1 281.400 -0.289 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCCO)C[C@@H]3C2)C1 ZINC001049215234 802007369 /nfs/dbraw/zinc/00/73/69/802007369.db2.gz PLXWSQDODNMDBQ-MELADBBJSA-N 2 1 281.400 -0.289 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)C1 ZINC001049215234 802007375 /nfs/dbraw/zinc/00/73/75/802007375.db2.gz PLXWSQDODNMDBQ-MELADBBJSA-N 2 1 281.400 -0.289 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049215783 802007418 /nfs/dbraw/zinc/00/74/18/802007418.db2.gz KAQRGLBGMMBAEX-BETUJISGSA-N 2 1 278.356 -0.426 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049215783 802007426 /nfs/dbraw/zinc/00/74/26/802007426.db2.gz KAQRGLBGMMBAEX-BETUJISGSA-N 2 1 278.356 -0.426 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC001049216137 802007611 /nfs/dbraw/zinc/00/76/11/802007611.db2.gz UZYBXWVZEIWVSD-BNOWGMLFSA-N 2 1 292.383 -0.037 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC001049216137 802007617 /nfs/dbraw/zinc/00/76/17/802007617.db2.gz UZYBXWVZEIWVSD-BNOWGMLFSA-N 2 1 292.383 -0.037 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213637 802007750 /nfs/dbraw/zinc/00/77/50/802007750.db2.gz RIIWNRWZNVHPAW-RWMBFGLXSA-N 2 1 294.399 -0.926 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049213637 802007757 /nfs/dbraw/zinc/00/77/57/802007757.db2.gz RIIWNRWZNVHPAW-RWMBFGLXSA-N 2 1 294.399 -0.926 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049213637 802007767 /nfs/dbraw/zinc/00/77/67/802007767.db2.gz RIIWNRWZNVHPAW-RWMBFGLXSA-N 2 1 294.399 -0.926 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213884 802009640 /nfs/dbraw/zinc/00/96/40/802009640.db2.gz XEZPEJZDUUCASO-XDQVBPFNSA-N 2 1 281.400 -0.291 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049213884 802009648 /nfs/dbraw/zinc/00/96/48/802009648.db2.gz XEZPEJZDUUCASO-XDQVBPFNSA-N 2 1 281.400 -0.291 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049213884 802009655 /nfs/dbraw/zinc/00/96/55/802009655.db2.gz XEZPEJZDUUCASO-XDQVBPFNSA-N 2 1 281.400 -0.291 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CC(N)=O)C1 ZINC001049890235 802042971 /nfs/dbraw/zinc/04/29/71/802042971.db2.gz LKAPOWXZCXGYHZ-YNEHKIRRSA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CC(N)=O)C1 ZINC001049890235 802042977 /nfs/dbraw/zinc/04/29/77/802042977.db2.gz LKAPOWXZCXGYHZ-YNEHKIRRSA-N 2 1 294.399 -0.511 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(N)=O)C1 ZINC001049890235 802042983 /nfs/dbraw/zinc/04/29/83/802042983.db2.gz LKAPOWXZCXGYHZ-YNEHKIRRSA-N 2 1 294.399 -0.511 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(N)=O)C1 ZINC001049890235 802042989 /nfs/dbraw/zinc/04/29/89/802042989.db2.gz LKAPOWXZCXGYHZ-YNEHKIRRSA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CCO)CC3)C1 ZINC001050471737 802065155 /nfs/dbraw/zinc/06/51/55/802065155.db2.gz DWBVZWDBQITNFT-CYBMUJFWSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CCO)CC3)C1 ZINC001050471737 802065158 /nfs/dbraw/zinc/06/51/58/802065158.db2.gz DWBVZWDBQITNFT-CYBMUJFWSA-N 2 1 297.399 -0.766 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001051495123 802148366 /nfs/dbraw/zinc/14/83/66/802148366.db2.gz ZUAYBHOFRQFTLM-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001051514773 802150255 /nfs/dbraw/zinc/15/02/55/802150255.db2.gz MSSRHDYWIVXHIN-VXGBXAGGSA-N 2 1 271.361 -0.846 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001051514773 802150259 /nfs/dbraw/zinc/15/02/59/802150259.db2.gz MSSRHDYWIVXHIN-VXGBXAGGSA-N 2 1 271.361 -0.846 20 0 CBADMP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001051515529 802150446 /nfs/dbraw/zinc/15/04/46/802150446.db2.gz QNGPYZCHSLYNSA-QWHCGFSZSA-N 2 1 285.388 -0.458 20 0 CBADMP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001051515529 802150449 /nfs/dbraw/zinc/15/04/49/802150449.db2.gz QNGPYZCHSLYNSA-QWHCGFSZSA-N 2 1 285.388 -0.458 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001051514772 802150689 /nfs/dbraw/zinc/15/06/89/802150689.db2.gz MSSRHDYWIVXHIN-RYUDHWBXSA-N 2 1 271.361 -0.846 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001051514772 802150691 /nfs/dbraw/zinc/15/06/91/802150691.db2.gz MSSRHDYWIVXHIN-RYUDHWBXSA-N 2 1 271.361 -0.846 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051679829 802157873 /nfs/dbraw/zinc/15/78/73/802157873.db2.gz JEVODDKJLZLYHC-FRRDWIJNSA-N 2 1 285.388 -0.458 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051679829 802157883 /nfs/dbraw/zinc/15/78/83/802157883.db2.gz JEVODDKJLZLYHC-FRRDWIJNSA-N 2 1 285.388 -0.458 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051931467 802172866 /nfs/dbraw/zinc/17/28/66/802172866.db2.gz BLPREJWZTUQMNW-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH2+]C(C)C)C2)C1 ZINC001051939464 802174817 /nfs/dbraw/zinc/17/48/17/802174817.db2.gz YXSRTRSPPINRND-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH2+]C(C)C)C2)C1 ZINC001051939464 802174820 /nfs/dbraw/zinc/17/48/20/802174820.db2.gz YXSRTRSPPINRND-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052248875 802189149 /nfs/dbraw/zinc/18/91/49/802189149.db2.gz BBJABZOKKCNAIV-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001052248875 802189153 /nfs/dbraw/zinc/18/91/53/802189153.db2.gz BBJABZOKKCNAIV-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001052248875 802189157 /nfs/dbraw/zinc/18/91/57/802189157.db2.gz BBJABZOKKCNAIV-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCCO)CC2)C1 ZINC001052275516 802190851 /nfs/dbraw/zinc/19/08/51/802190851.db2.gz NFFKIQCDASDVFB-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCCO)CC2)C1 ZINC001052275516 802190854 /nfs/dbraw/zinc/19/08/54/802190854.db2.gz NFFKIQCDASDVFB-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](CCCO)CC2)C1 ZINC001052275516 802190856 /nfs/dbraw/zinc/19/08/56/802190856.db2.gz NFFKIQCDASDVFB-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCCO)CC2)C1 ZINC001052275516 802190858 /nfs/dbraw/zinc/19/08/58/802190858.db2.gz NFFKIQCDASDVFB-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052498403 802201641 /nfs/dbraw/zinc/20/16/41/802201641.db2.gz HICXXGXHEFVCIF-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052498403 802201649 /nfs/dbraw/zinc/20/16/49/802201649.db2.gz HICXXGXHEFVCIF-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052498403 802201654 /nfs/dbraw/zinc/20/16/54/802201654.db2.gz HICXXGXHEFVCIF-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052712657 802214587 /nfs/dbraw/zinc/21/45/87/802214587.db2.gz MQLWOHSBCSINEN-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052712657 802214593 /nfs/dbraw/zinc/21/45/93/802214593.db2.gz MQLWOHSBCSINEN-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052712657 802214600 /nfs/dbraw/zinc/21/46/00/802214600.db2.gz MQLWOHSBCSINEN-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052712656 802214667 /nfs/dbraw/zinc/21/46/67/802214667.db2.gz MQLWOHSBCSINEN-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052712656 802214673 /nfs/dbraw/zinc/21/46/73/802214673.db2.gz MQLWOHSBCSINEN-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052712656 802214678 /nfs/dbraw/zinc/21/46/78/802214678.db2.gz MQLWOHSBCSINEN-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052712654 802215336 /nfs/dbraw/zinc/21/53/36/802215336.db2.gz MQLWOHSBCSINEN-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052712654 802215342 /nfs/dbraw/zinc/21/53/42/802215342.db2.gz MQLWOHSBCSINEN-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052712654 802215349 /nfs/dbraw/zinc/21/53/49/802215349.db2.gz MQLWOHSBCSINEN-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938211 802225237 /nfs/dbraw/zinc/22/52/37/802225237.db2.gz UPUVFRPGMRLCCJ-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001054297513 802333675 /nfs/dbraw/zinc/33/36/75/802333675.db2.gz SCQDXOHSQFZIRF-XQQFMLRXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1[NH2+]CCO ZINC001054734150 802367171 /nfs/dbraw/zinc/36/71/71/802367171.db2.gz ASXOYZMGWGZGOJ-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+]CCO ZINC001054829763 802372139 /nfs/dbraw/zinc/37/21/39/802372139.db2.gz IZFBAXMQCBZKLT-GXFFZTMASA-N 2 1 296.371 -0.221 20 0 CBADMP CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055479711 802395536 /nfs/dbraw/zinc/39/55/36/802395536.db2.gz DGYVZUYNVUHAAO-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055545473 802399447 /nfs/dbraw/zinc/39/94/47/802399447.db2.gz JNWWPMUNPNNHPH-AWEZNQCLSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055545473 802399456 /nfs/dbraw/zinc/39/94/56/802399456.db2.gz JNWWPMUNPNNHPH-AWEZNQCLSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210521 814934715 /nfs/dbraw/zinc/93/47/15/814934715.db2.gz PNHFPAKNOXFUQY-NSHDSACASA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001117979887 812461594 /nfs/dbraw/zinc/46/15/94/812461594.db2.gz BJRLHBWIPHXYJB-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP O=C(Cc1cnc[nH]1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001119569599 812812345 /nfs/dbraw/zinc/81/23/45/812812345.db2.gz OOSFNZYPWYBYSQ-VXGBXAGGSA-N 2 1 264.329 -0.380 20 0 CBADMP O=C(Cc1cnc[nH]1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001119569598 812812966 /nfs/dbraw/zinc/81/29/66/812812966.db2.gz OOSFNZYPWYBYSQ-RYUDHWBXSA-N 2 1 264.329 -0.380 20 0 CBADMP O=C(Cc1cnc[nH]1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001119569596 812813494 /nfs/dbraw/zinc/81/34/94/812813494.db2.gz OOSFNZYPWYBYSQ-NEPJUHHUSA-N 2 1 264.329 -0.380 20 0 CBADMP [NH3+]CC[C@@H]1CC[N@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC001119683957 812867002 /nfs/dbraw/zinc/86/70/02/812867002.db2.gz KHBPKPCVMBLYGP-SECBINFHSA-N 2 1 262.317 -0.412 20 0 CBADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC001119683957 812867008 /nfs/dbraw/zinc/86/70/08/812867008.db2.gz KHBPKPCVMBLYGP-SECBINFHSA-N 2 1 262.317 -0.412 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001121936643 813091639 /nfs/dbraw/zinc/09/16/39/813091639.db2.gz FLDNYYRFIHMWJS-RVMXOQNASA-N 2 1 264.373 -0.948 20 0 CBADMP CC(C)C[C@H]([NH3+])CC(=O)N1CC[NH+](CCO)CC1 ZINC001121935715 813092281 /nfs/dbraw/zinc/09/22/81/813092281.db2.gz BDZUMALOIRRWMV-LBPRGKRZSA-N 2 1 257.378 -0.114 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1=CC[NH2+]CC1 ZINC001122015278 813105282 /nfs/dbraw/zinc/10/52/82/813105282.db2.gz MLBXNJAMPCNYMH-DGCLKSJQSA-N 2 1 264.373 -0.589 20 0 CBADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC001122126633 813121547 /nfs/dbraw/zinc/12/15/47/813121547.db2.gz JJNXJDFSNMXGKA-UMSGYPCISA-N 2 1 266.389 -0.287 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001122176485 813127915 /nfs/dbraw/zinc/12/79/15/813127915.db2.gz YFGSHVQVLCZDOY-ATZCPNFKSA-N 2 1 263.345 -0.145 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC001122367752 813154651 /nfs/dbraw/zinc/15/46/51/813154651.db2.gz BUKDQBBXEHKADQ-IJLUTSLNSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1CN(C)CC[N@H+]1C ZINC001122449125 813166388 /nfs/dbraw/zinc/16/63/88/813166388.db2.gz SSMAVCBPGSEKHR-MNOVXSKESA-N 2 1 256.394 -0.136 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294731 814237375 /nfs/dbraw/zinc/23/73/75/814237375.db2.gz RDLBLGPUKQCTQR-UHFFFAOYSA-N 2 1 253.350 -0.422 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294635 814237711 /nfs/dbraw/zinc/23/77/11/814237711.db2.gz OCGDFYONFYUNQA-UHFFFAOYSA-N 2 1 268.365 -0.545 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133345366 814246095 /nfs/dbraw/zinc/24/60/95/814246095.db2.gz BFMAEMXEOUSFCU-CHWSQXEVSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001133845424 814304732 /nfs/dbraw/zinc/30/47/32/814304732.db2.gz FMHVXEFPVKJZFV-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001133845429 814305373 /nfs/dbraw/zinc/30/53/73/814305373.db2.gz FSCXKZSTQHXWON-NSHDSACASA-N 2 1 270.377 -0.878 20 0 CBADMP CC[C@@H](C(=O)NCC[NH2+]Cc1cnn(CC)n1)[NH+](C)C ZINC001133982951 814333368 /nfs/dbraw/zinc/33/33/68/814333368.db2.gz PZMURLOMVDTASP-LBPRGKRZSA-N 2 1 282.392 -0.156 20 0 CBADMP CN1CC[NH+](CCC(=O)n2cc(C[NH3+])cnc2=N)CC1 ZINC001143236822 814765404 /nfs/dbraw/zinc/76/54/04/814765404.db2.gz BGXYHBQYZSHDBQ-UHFFFAOYSA-N 2 1 278.360 -0.901 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)c1nnnn1C ZINC001148360474 814939623 /nfs/dbraw/zinc/93/96/23/814939623.db2.gz VQYCXPIOOFQKKR-NSHDSACASA-N 2 1 297.407 -0.291 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001148573588 814950599 /nfs/dbraw/zinc/95/05/99/814950599.db2.gz VUQSSUREPTVUPF-JTQLQIEISA-N 2 1 258.366 -0.702 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N(C)CC ZINC001148571042 814951722 /nfs/dbraw/zinc/95/17/22/814951722.db2.gz SYMJZPLGMFBGON-UHFFFAOYSA-N 2 1 286.420 -0.098 20 0 CBADMP COCC[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148604982 814952468 /nfs/dbraw/zinc/95/24/68/814952468.db2.gz MILMZGALGBZJHI-UHFFFAOYSA-N 2 1 299.415 -0.255 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001148654803 814956645 /nfs/dbraw/zinc/95/66/45/814956645.db2.gz AUNZLXTWAFMDIJ-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001148656317 814956674 /nfs/dbraw/zinc/95/66/74/814956674.db2.gz ZAHCHTGEJFGGMP-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H](C[NH2+]CCO)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001321542859 803782625 /nfs/dbraw/zinc/78/26/25/803782625.db2.gz AAMSWRMRCKQVNT-VXGBXAGGSA-N 2 1 257.378 -0.053 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]CCF)C1 ZINC001321750597 803810004 /nfs/dbraw/zinc/81/00/04/803810004.db2.gz PODUBFZVQDXYCQ-GHMZBOCLSA-N 2 1 261.341 -0.229 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]CCF)C1 ZINC001321750597 803810012 /nfs/dbraw/zinc/81/00/12/803810012.db2.gz PODUBFZVQDXYCQ-GHMZBOCLSA-N 2 1 261.341 -0.229 20 0 CBADMP C[C@H](C[NH2+]CCCO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001321710492 803805942 /nfs/dbraw/zinc/80/59/42/803805942.db2.gz OUBCKAIFMJHUIP-NEPJUHHUSA-N 2 1 257.378 -0.195 20 0 CBADMP CCOCC[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001322451836 803898533 /nfs/dbraw/zinc/89/85/33/803898533.db2.gz FPKXZHJRIJOQRI-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CCOCC[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001322451836 803898540 /nfs/dbraw/zinc/89/85/40/803898540.db2.gz FPKXZHJRIJOQRI-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]C[C@H](C)O)CC1 ZINC001323493695 804034248 /nfs/dbraw/zinc/03/42/48/804034248.db2.gz PXRDCUIMSRYSTA-NSHDSACASA-N 2 1 266.345 -0.189 20 0 CBADMP COCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001325036437 804226656 /nfs/dbraw/zinc/22/66/56/804226656.db2.gz FVSHKEVDLXYCKO-CYBMUJFWSA-N 2 1 299.415 -0.161 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC001325386474 804283352 /nfs/dbraw/zinc/28/33/52/804283352.db2.gz QEVVZLUXULDMJZ-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001150723852 815042198 /nfs/dbraw/zinc/04/21/98/815042198.db2.gz MIEHWTKBXPWRNY-CYBMUJFWSA-N 2 1 296.371 -0.609 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150723852 815042206 /nfs/dbraw/zinc/04/22/06/815042206.db2.gz MIEHWTKBXPWRNY-CYBMUJFWSA-N 2 1 296.371 -0.609 20 0 CBADMP CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049035 815052086 /nfs/dbraw/zinc/05/20/86/815052086.db2.gz HVGQUMNFQQEQDF-QWHCGFSZSA-N 2 1 298.431 -0.195 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048585 815052145 /nfs/dbraw/zinc/05/21/45/815052145.db2.gz CBZQQIIIUOCYMD-NSHDSACASA-N 2 1 270.377 -0.832 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001151065993 815056776 /nfs/dbraw/zinc/05/67/76/815056776.db2.gz PDCKWZBEDGVYHW-OLZOCXBDSA-N 2 1 296.415 -0.440 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048744 815052176 /nfs/dbraw/zinc/05/21/76/815052176.db2.gz FIWRDYAPMICYOS-NSHDSACASA-N 2 1 280.376 -0.545 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151048717 815052833 /nfs/dbraw/zinc/05/28/33/815052833.db2.gz DOEFKLCQAKPXKQ-LLVKDONJSA-N 2 1 265.361 -0.422 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151048717 815052840 /nfs/dbraw/zinc/05/28/40/815052840.db2.gz DOEFKLCQAKPXKQ-LLVKDONJSA-N 2 1 265.361 -0.422 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ccon2)C1 ZINC001151049031 815052967 /nfs/dbraw/zinc/05/29/67/815052967.db2.gz HULGDUNZNRZRMF-JTQLQIEISA-N 2 1 252.318 -0.168 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ccon2)C1 ZINC001151049031 815052971 /nfs/dbraw/zinc/05/29/71/815052971.db2.gz HULGDUNZNRZRMF-JTQLQIEISA-N 2 1 252.318 -0.168 20 0 CBADMP Cc1nn(C)cc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049039 815053324 /nfs/dbraw/zinc/05/33/24/815053324.db2.gz IDUYWYZJUGJHKV-GFCCVEGCSA-N 2 1 279.388 -0.114 20 0 CBADMP CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151064647 815053925 /nfs/dbraw/zinc/05/39/25/815053925.db2.gz CNYZYWSBIWBBSZ-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC001151056991 815054186 /nfs/dbraw/zinc/05/41/86/815054186.db2.gz PHMVPFRGZUKILJ-NXEZZACHSA-N 2 1 297.321 -0.043 20 0 CBADMP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070326875 805179465 /nfs/dbraw/zinc/17/94/65/805179465.db2.gz GZLHPCFPITUTLH-UPJWGTAASA-N 2 1 292.387 -0.409 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001151056624 815055005 /nfs/dbraw/zinc/05/50/05/815055005.db2.gz OHXJVOMXWLQZJX-LLVKDONJSA-N 2 1 292.387 -0.160 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001151056624 815055012 /nfs/dbraw/zinc/05/50/12/815055012.db2.gz OHXJVOMXWLQZJX-LLVKDONJSA-N 2 1 292.387 -0.160 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001151064975 815055051 /nfs/dbraw/zinc/05/50/51/815055051.db2.gz GKMQQGNGAZCEKO-LLVKDONJSA-N 2 1 280.376 -0.545 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001151064975 815055057 /nfs/dbraw/zinc/05/50/57/815055057.db2.gz GKMQQGNGAZCEKO-LLVKDONJSA-N 2 1 280.376 -0.545 20 0 CBADMP CN1CCC[C@H]([NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151055992 815055242 /nfs/dbraw/zinc/05/52/42/815055242.db2.gz JTBPRGYJUWFOCC-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP COc1nccc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151049811 815055687 /nfs/dbraw/zinc/05/56/87/815055687.db2.gz ZKKUBEKCFMKLMI-NSHDSACASA-N 2 1 293.371 -0.357 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC001151056994 815055781 /nfs/dbraw/zinc/05/57/81/815055781.db2.gz PHMVPFRGZUKILJ-ZJUUUORDSA-N 2 1 297.321 -0.043 20 0 CBADMP CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065646 815056165 /nfs/dbraw/zinc/05/61/65/815056165.db2.gz LUVMBIZMXCWEGO-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)c1nncn1C ZINC001151065491 815056287 /nfs/dbraw/zinc/05/62/87/815056287.db2.gz KGSLNTCVZJUEIH-QWRGUYRKSA-N 2 1 280.376 -0.466 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1nncn1C ZINC001151065491 815056292 /nfs/dbraw/zinc/05/62/92/815056292.db2.gz KGSLNTCVZJUEIH-QWRGUYRKSA-N 2 1 280.376 -0.466 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001151121589 815063182 /nfs/dbraw/zinc/06/31/82/815063182.db2.gz INGFHRXJDORFQU-NSHDSACASA-N 2 1 279.344 -0.872 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCCN2CCCC2=O)C1 ZINC001151074562 815058878 /nfs/dbraw/zinc/05/88/78/815058878.db2.gz ZZMFBPMWIMKBQM-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151096623 815060357 /nfs/dbraw/zinc/06/03/57/815060357.db2.gz DDGQUEYCXCEBAL-UHFFFAOYSA-N 2 1 266.349 -0.883 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151121261 815061641 /nfs/dbraw/zinc/06/16/41/815061641.db2.gz FLQJIAIXOLUUKT-SECBINFHSA-N 2 1 267.333 -0.968 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001151121584 815063989 /nfs/dbraw/zinc/06/39/89/815063989.db2.gz ILYJQFKGAPCCDB-LBPRGKRZSA-N 2 1 266.345 -0.066 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCO)C2)C1CC1 ZINC001072814394 805337506 /nfs/dbraw/zinc/33/75/06/805337506.db2.gz CHVOBAAYFDWTRX-CYBMUJFWSA-N 2 1 281.400 -0.147 20 0 CBADMP CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073564446 805386745 /nfs/dbraw/zinc/38/67/45/805386745.db2.gz YSHBUWQNVIPPMH-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073564446 805386753 /nfs/dbraw/zinc/38/67/53/805386753.db2.gz YSHBUWQNVIPPMH-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073564446 805386763 /nfs/dbraw/zinc/38/67/63/805386763.db2.gz YSHBUWQNVIPPMH-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073564446 805386774 /nfs/dbraw/zinc/38/67/74/805386774.db2.gz YSHBUWQNVIPPMH-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CC)CCCO2)C1 ZINC001073896560 805424378 /nfs/dbraw/zinc/42/43/78/805424378.db2.gz VGGVJNZMFPRSCR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CC)CCCO2)C1 ZINC001073896560 805424385 /nfs/dbraw/zinc/42/43/85/805424385.db2.gz VGGVJNZMFPRSCR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](CC)CCCO2)C1 ZINC001073896560 805424391 /nfs/dbraw/zinc/42/43/91/805424391.db2.gz VGGVJNZMFPRSCR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](CC)CCCO2)C1 ZINC001073896560 805424394 /nfs/dbraw/zinc/42/43/94/805424394.db2.gz VGGVJNZMFPRSCR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCO)[C@@H]2C)C1 ZINC001074829640 805474470 /nfs/dbraw/zinc/47/44/70/805474470.db2.gz IBVKVMPRQQPPEJ-MELADBBJSA-N 2 1 299.415 -0.333 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCO)[C@@H]2C)C1 ZINC001074829640 805474476 /nfs/dbraw/zinc/47/44/76/805474476.db2.gz IBVKVMPRQQPPEJ-MELADBBJSA-N 2 1 299.415 -0.333 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076049756 805552236 /nfs/dbraw/zinc/55/22/36/805552236.db2.gz PSJBTXXVKWHXJV-QWHCGFSZSA-N 2 1 278.356 -0.283 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076049756 805552239 /nfs/dbraw/zinc/55/22/39/805552239.db2.gz PSJBTXXVKWHXJV-QWHCGFSZSA-N 2 1 278.356 -0.283 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCC[C@@H](C)O)C1 ZINC001151740454 815089039 /nfs/dbraw/zinc/08/90/39/815089039.db2.gz TYRUOEZHJDPBAI-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCC[C@@H](C)O)C1 ZINC001151740454 815089043 /nfs/dbraw/zinc/08/90/43/815089043.db2.gz TYRUOEZHJDPBAI-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP CCOCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151738357 815089536 /nfs/dbraw/zinc/08/95/36/815089536.db2.gz HVEMAZVWHYAWCT-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP CCOCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151738357 815089540 /nfs/dbraw/zinc/08/95/40/815089540.db2.gz HVEMAZVWHYAWCT-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151756036 815092668 /nfs/dbraw/zinc/09/26/68/815092668.db2.gz HOVBGHRNYLKAKH-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151756036 815092674 /nfs/dbraw/zinc/09/26/74/815092674.db2.gz HOVBGHRNYLKAKH-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnn(C)c2)C1 ZINC001151749194 815092714 /nfs/dbraw/zinc/09/27/14/815092714.db2.gz RGLAGJGBMPKFEQ-CYBMUJFWSA-N 2 1 295.387 -0.653 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnn(C)c2)C1 ZINC001151749194 815092720 /nfs/dbraw/zinc/09/27/20/815092720.db2.gz RGLAGJGBMPKFEQ-CYBMUJFWSA-N 2 1 295.387 -0.653 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001152138104 815106721 /nfs/dbraw/zinc/10/67/21/815106721.db2.gz RMNBJYHDOCSUDH-BETUJISGSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001152145680 815108526 /nfs/dbraw/zinc/10/85/26/815108526.db2.gz DPTRFBLZBZBWGC-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001152427377 815120821 /nfs/dbraw/zinc/12/08/21/815120821.db2.gz YDWRTMCTIYYKLU-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCc1nnc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)n1C ZINC001152439911 815121344 /nfs/dbraw/zinc/12/13/44/815121344.db2.gz VFJGIMQXUBZFGW-UHFFFAOYSA-N 2 1 296.419 -0.077 20 0 CBADMP CCc1nnc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)n1C ZINC001152439911 815121346 /nfs/dbraw/zinc/12/13/46/815121346.db2.gz VFJGIMQXUBZFGW-UHFFFAOYSA-N 2 1 296.419 -0.077 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001152452046 815122410 /nfs/dbraw/zinc/12/24/10/815122410.db2.gz QUZQOYLQATYMJR-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COC ZINC001152452048 815122833 /nfs/dbraw/zinc/12/28/33/815122833.db2.gz QUZQOYLQATYMJR-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001152451771 815123208 /nfs/dbraw/zinc/12/32/08/815123208.db2.gz GUCZUIVNIRDMJO-ZDUSSCGKSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001152451771 815123211 /nfs/dbraw/zinc/12/32/11/815123211.db2.gz GUCZUIVNIRDMJO-ZDUSSCGKSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001152458759 815124560 /nfs/dbraw/zinc/12/45/60/815124560.db2.gz SNXKCTGYWKPUFM-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152557139 815129552 /nfs/dbraw/zinc/12/95/52/815129552.db2.gz RRJKAXGMHWJLSO-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152557139 815129554 /nfs/dbraw/zinc/12/95/54/815129554.db2.gz RRJKAXGMHWJLSO-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](CCO)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152557139 815129557 /nfs/dbraw/zinc/12/95/57/815129557.db2.gz RRJKAXGMHWJLSO-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](CCO)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152557139 815129560 /nfs/dbraw/zinc/12/95/60/815129560.db2.gz RRJKAXGMHWJLSO-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C(N)=O ZINC001152528829 815129870 /nfs/dbraw/zinc/12/98/70/815129870.db2.gz LVMLZBDGGAZXTI-YPMHNXCESA-N 2 1 292.383 -0.131 20 0 CBADMP CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999725 815256574 /nfs/dbraw/zinc/25/65/74/815256574.db2.gz LOLHVXGHSRGZHJ-OLZOCXBDSA-N 2 1 289.420 -0.228 20 0 CBADMP CC[N@H+](CC(=O)N1CCC1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155023963 815257113 /nfs/dbraw/zinc/25/71/13/815257113.db2.gz PLFCDSVHIOYNPN-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](CC(=O)N1CCC1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155023963 815257117 /nfs/dbraw/zinc/25/71/17/815257117.db2.gz PLFCDSVHIOYNPN-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC(=O)NC)[NH+](C)C ZINC001155283759 815274896 /nfs/dbraw/zinc/27/48/96/815274896.db2.gz YNIHGDSJITXZPG-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)NC)[NH+](C)C ZINC001155283759 815274901 /nfs/dbraw/zinc/27/49/01/815274901.db2.gz YNIHGDSJITXZPG-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC(N)=O)[NH+](C)C ZINC001155289103 815276214 /nfs/dbraw/zinc/27/62/14/815276214.db2.gz JWIVMSGDNYDTAH-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC(N)=O)[NH+](C)C ZINC001155289103 815276219 /nfs/dbraw/zinc/27/62/19/815276219.db2.gz JWIVMSGDNYDTAH-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP [NH3+]CC1CN([C@@H]2CCCN(c3ncnc4c3C[NH2+]C4)C2)C1 ZINC001155372814 815279397 /nfs/dbraw/zinc/27/93/97/815279397.db2.gz KUAWBTBDYWWASR-GFCCVEGCSA-N 2 1 288.399 -0.061 20 0 CBADMP NC(=O)c1ccc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)nn1 ZINC001155373447 815279686 /nfs/dbraw/zinc/27/96/86/815279686.db2.gz QSFWEVUIVUNQQW-LLVKDONJSA-N 2 1 290.371 -0.565 20 0 CBADMP c1nc2c(c(NCc3nnn4c3C[NH2+]CCC4)n1)C[NH2+]C2 ZINC001155394514 815281696 /nfs/dbraw/zinc/28/16/96/815281696.db2.gz YLUASMAIBDJEJY-UHFFFAOYSA-N 2 1 286.343 -0.223 20 0 CBADMP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ncnc3c2C[NH2+]C3)N1 ZINC001155573154 815297071 /nfs/dbraw/zinc/29/70/71/815297071.db2.gz YPXCUEWHZLXVJC-JOYOIKCWSA-N 2 1 260.301 -0.930 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001155789877 815310846 /nfs/dbraw/zinc/31/08/46/815310846.db2.gz GSOPWKOAPPPJOI-QWRGUYRKSA-N 2 1 268.361 -0.935 20 0 CBADMP CN(C(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001155790652 815311329 /nfs/dbraw/zinc/31/13/29/815311329.db2.gz LHCDNMJWWDFVQE-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155789192 815311372 /nfs/dbraw/zinc/31/13/72/815311372.db2.gz BGUMTKMFEABORG-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCn1ncc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001155790715 815311850 /nfs/dbraw/zinc/31/18/50/815311850.db2.gz MUKFWGQXQXFMHK-ZDUSSCGKSA-N 2 1 294.403 -0.012 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001155790690 815312243 /nfs/dbraw/zinc/31/22/43/815312243.db2.gz MDQBPPMNWXDRNA-NXEZZACHSA-N 2 1 256.350 -0.950 20 0 CBADMP CN1CCC[C@@H]([NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001155791628 815313509 /nfs/dbraw/zinc/31/35/09/815313509.db2.gz YFRYIODFEVTMEO-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)c1nnnn1C ZINC001155810946 815314218 /nfs/dbraw/zinc/31/42/18/815314218.db2.gz DFIOVBYUSNQZPT-MNOVXSKESA-N 2 1 295.391 -0.539 20 0 CBADMP CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001155814097 815315391 /nfs/dbraw/zinc/31/53/91/815315391.db2.gz VGAVKFFHUSWQJJ-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnon1 ZINC001155814757 815315466 /nfs/dbraw/zinc/31/54/66/815315466.db2.gz ZOTQAINZKFERPT-NSHDSACASA-N 2 1 267.333 -0.240 20 0 CBADMP COC[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156125960 815338519 /nfs/dbraw/zinc/33/85/19/815338519.db2.gz QZGCQGPIULWNOU-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP COC[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156125960 815338526 /nfs/dbraw/zinc/33/85/26/815338526.db2.gz QZGCQGPIULWNOU-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP Cc1cc(C[NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)on1 ZINC001156145184 815339930 /nfs/dbraw/zinc/33/99/30/815339930.db2.gz JKLGXKNIVWHTII-ZDUSSCGKSA-N 2 1 296.371 -0.090 20 0 CBADMP Cc1cc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)on1 ZINC001156145184 815339937 /nfs/dbraw/zinc/33/99/37/815339937.db2.gz JKLGXKNIVWHTII-ZDUSSCGKSA-N 2 1 296.371 -0.090 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCOC2CCC2)C1 ZINC001156145156 815341153 /nfs/dbraw/zinc/34/11/53/815341153.db2.gz IPJJKWXJPDBOSF-AWEZNQCLSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCOC2CCC2)C1 ZINC001156145156 815341156 /nfs/dbraw/zinc/34/11/56/815341156.db2.gz IPJJKWXJPDBOSF-AWEZNQCLSA-N 2 1 299.415 -0.018 20 0 CBADMP CO[C@H](C)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156144235 815341423 /nfs/dbraw/zinc/34/14/23/815341423.db2.gz CFEDTLCOBVSRPD-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP CO[C@H](C)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156144235 815341430 /nfs/dbraw/zinc/34/14/30/815341430.db2.gz CFEDTLCOBVSRPD-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP Cn1cncc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156146486 815341773 /nfs/dbraw/zinc/34/17/73/815341773.db2.gz ZNQWUKBJDUQFBS-CYBMUJFWSA-N 2 1 295.387 -0.653 20 0 CBADMP Cn1cncc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156146486 815341778 /nfs/dbraw/zinc/34/17/78/815341778.db2.gz ZNQWUKBJDUQFBS-CYBMUJFWSA-N 2 1 295.387 -0.653 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001086091225 810241762 /nfs/dbraw/zinc/24/17/62/810241762.db2.gz OKYZAYSNHVPNAZ-QNWHQSFQSA-N 2 1 296.415 -0.314 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086272214 810253247 /nfs/dbraw/zinc/25/32/47/810253247.db2.gz YCDKMSRSIHUXDH-WUHRBBMRSA-N 2 1 294.399 -0.689 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086271904 810253580 /nfs/dbraw/zinc/25/35/80/810253580.db2.gz OCUYRVLWDUCHTA-LPWJVIDDSA-N 2 1 269.389 -0.197 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086328035 810261214 /nfs/dbraw/zinc/26/12/14/810261214.db2.gz YIWBXRAGOLWRLZ-GMTAPVOTSA-N 2 1 268.361 -0.950 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086327738 810261551 /nfs/dbraw/zinc/26/15/51/810261551.db2.gz OSUSFVLHSVLQRC-LPWJVIDDSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001086371032 810265355 /nfs/dbraw/zinc/26/53/55/810265355.db2.gz MOXJYQXVWGYNMS-DDHJBXDOSA-N 2 1 282.388 -0.704 20 0 CBADMP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001086372954 810265781 /nfs/dbraw/zinc/26/57/81/810265781.db2.gz FGWGCQOYSMELLK-XDQVBPFNSA-N 2 1 297.399 -0.674 20 0 CBADMP 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 810265931 /nfs/dbraw/zinc/26/59/31/810265931.db2.gz WAQKXLMRQVGAMC-FPYNETTCSA-N 2 1 296.415 -0.315 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086400562 810266844 /nfs/dbraw/zinc/26/68/44/810266844.db2.gz MOSIYURZTGPSSM-DHGKCCLASA-N 2 1 299.415 -0.429 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086400562 810266845 /nfs/dbraw/zinc/26/68/45/810266845.db2.gz MOSIYURZTGPSSM-DHGKCCLASA-N 2 1 299.415 -0.429 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001086457416 810272106 /nfs/dbraw/zinc/27/21/06/810272106.db2.gz XVJGBMVQVLQFPY-CYDGBPFRSA-N 2 1 296.415 -0.314 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086551866 810279019 /nfs/dbraw/zinc/27/90/19/810279019.db2.gz OCUYRVLWDUCHTA-FDYHWXHSSA-N 2 1 269.389 -0.197 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001086659854 810281775 /nfs/dbraw/zinc/28/17/75/810281775.db2.gz NVCNNJVGYLGZLL-XQQFMLRXSA-N 2 1 269.389 -0.053 20 0 CBADMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1)[NH+](C)C ZINC001088010660 810317448 /nfs/dbraw/zinc/31/74/48/810317448.db2.gz DURNCLPFYOBWGM-FRRDWIJNSA-N 2 1 296.415 -0.408 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(N)=O)C1 ZINC001088279318 810325558 /nfs/dbraw/zinc/32/55/58/810325558.db2.gz PWLKTJBHFBMGSU-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCO ZINC001088506930 810337058 /nfs/dbraw/zinc/33/70/58/810337058.db2.gz SYZBXJDIKGHVLD-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCCO ZINC001088506930 810337063 /nfs/dbraw/zinc/33/70/63/810337063.db2.gz SYZBXJDIKGHVLD-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCCO ZINC001088506930 810337069 /nfs/dbraw/zinc/33/70/69/810337069.db2.gz SYZBXJDIKGHVLD-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCO ZINC001088506930 810337074 /nfs/dbraw/zinc/33/70/74/810337074.db2.gz SYZBXJDIKGHVLD-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCO)[C@@H]2C)C1 ZINC001088815252 810357679 /nfs/dbraw/zinc/35/76/79/810357679.db2.gz GEENSZDECBRSEX-HZSPNIEDSA-N 2 1 299.415 -0.333 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCO)[C@@H]2C)C1 ZINC001088815252 810357687 /nfs/dbraw/zinc/35/76/87/810357687.db2.gz GEENSZDECBRSEX-HZSPNIEDSA-N 2 1 299.415 -0.333 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCO)[C@@H]2C)C1 ZINC001088815252 810357689 /nfs/dbraw/zinc/35/76/89/810357689.db2.gz GEENSZDECBRSEX-HZSPNIEDSA-N 2 1 299.415 -0.333 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCO)[C@@H]2C)C1 ZINC001088815252 810357697 /nfs/dbraw/zinc/35/76/97/810357697.db2.gz GEENSZDECBRSEX-HZSPNIEDSA-N 2 1 299.415 -0.333 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCO)[C@@H]2C)C1 ZINC001088815253 810357819 /nfs/dbraw/zinc/35/78/19/810357819.db2.gz GEENSZDECBRSEX-RDBSUJKOSA-N 2 1 299.415 -0.333 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCO)[C@@H]2C)C1 ZINC001088815253 810357821 /nfs/dbraw/zinc/35/78/21/810357821.db2.gz GEENSZDECBRSEX-RDBSUJKOSA-N 2 1 299.415 -0.333 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCO)[C@@H]2C)C1 ZINC001088815253 810357829 /nfs/dbraw/zinc/35/78/29/810357829.db2.gz GEENSZDECBRSEX-RDBSUJKOSA-N 2 1 299.415 -0.333 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCO)[C@@H]2C)C1 ZINC001088815253 810357832 /nfs/dbraw/zinc/35/78/32/810357832.db2.gz GEENSZDECBRSEX-RDBSUJKOSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC(N)=O ZINC001156524787 815364590 /nfs/dbraw/zinc/36/45/90/815364590.db2.gz BAQUGZMCYUTSCN-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC(N)=O ZINC001156524787 815364597 /nfs/dbraw/zinc/36/45/97/815364597.db2.gz BAQUGZMCYUTSCN-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC(N)=O ZINC001156524787 815364604 /nfs/dbraw/zinc/36/46/04/815364604.db2.gz BAQUGZMCYUTSCN-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(N)=O ZINC001156524787 815364611 /nfs/dbraw/zinc/36/46/11/815364611.db2.gz BAQUGZMCYUTSCN-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCOC)[C@@H]2C)C1 ZINC001089049868 810377059 /nfs/dbraw/zinc/37/70/59/810377059.db2.gz GSRPWQCTTWUSLI-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCOC)[C@@H]2C)C1 ZINC001089049868 810377062 /nfs/dbraw/zinc/37/70/62/810377062.db2.gz GSRPWQCTTWUSLI-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCOC)[C@@H]2C)C1 ZINC001089049868 810377063 /nfs/dbraw/zinc/37/70/63/810377063.db2.gz GSRPWQCTTWUSLI-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCOC)[C@@H]2C)C1 ZINC001089049868 810377064 /nfs/dbraw/zinc/37/70/64/810377064.db2.gz GSRPWQCTTWUSLI-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090434407 810497234 /nfs/dbraw/zinc/49/72/34/810497234.db2.gz YSOSSKXIOKVBMO-STQMWFEESA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090434407 810497240 /nfs/dbraw/zinc/49/72/40/810497240.db2.gz YSOSSKXIOKVBMO-STQMWFEESA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090434403 810499102 /nfs/dbraw/zinc/49/91/02/810499102.db2.gz YSOSSKXIOKVBMO-OLZOCXBDSA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090434403 810499108 /nfs/dbraw/zinc/49/91/08/810499108.db2.gz YSOSSKXIOKVBMO-OLZOCXBDSA-N 2 1 296.371 -0.875 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090731122 810560312 /nfs/dbraw/zinc/56/03/12/810560312.db2.gz PQWLWTMOTVIYOB-CHWSQXEVSA-N 2 1 297.399 -0.984 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808459 810570873 /nfs/dbraw/zinc/57/08/73/810570873.db2.gz LHERDACKEPWCFF-QWHCGFSZSA-N 2 1 296.371 -0.611 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808459 810570880 /nfs/dbraw/zinc/57/08/80/810570880.db2.gz LHERDACKEPWCFF-QWHCGFSZSA-N 2 1 296.371 -0.611 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090818961 810572002 /nfs/dbraw/zinc/57/20/02/810572002.db2.gz YMVNWPBMBISJIP-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001090957177 810582810 /nfs/dbraw/zinc/58/28/10/810582810.db2.gz YIWBXRAGOLWRLZ-ILDUYXDCSA-N 2 1 268.361 -0.950 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001091201436 810597666 /nfs/dbraw/zinc/59/76/66/810597666.db2.gz SIAVEGXDZGIIHR-JXQTWKCFSA-N 2 1 299.415 -0.428 20 0 CBADMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092275825 810627783 /nfs/dbraw/zinc/62/77/83/810627783.db2.gz RQOMYEANSNBCEP-DOMZBBRYSA-N 2 1 294.399 -0.652 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092736322 810639748 /nfs/dbraw/zinc/63/97/48/810639748.db2.gz PRDZYRQUFQHWEL-UPJWGTAASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001092736322 810639753 /nfs/dbraw/zinc/63/97/53/810639753.db2.gz PRDZYRQUFQHWEL-UPJWGTAASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001092736322 810639757 /nfs/dbraw/zinc/63/97/57/810639757.db2.gz PRDZYRQUFQHWEL-UPJWGTAASA-N 2 1 296.415 -0.360 20 0 CBADMP CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001093308831 810651254 /nfs/dbraw/zinc/65/12/54/810651254.db2.gz MHTOVCYSLFHYJC-ZDUSSCGKSA-N 2 1 292.387 -0.135 20 0 CBADMP CC[N@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927257 815390074 /nfs/dbraw/zinc/39/00/74/815390074.db2.gz IKXXHDIUJRBBCM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927257 815390081 /nfs/dbraw/zinc/39/00/81/815390081.db2.gz IKXXHDIUJRBBCM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)C12CC[NH+](CC1)C2 ZINC001098224926 810835794 /nfs/dbraw/zinc/83/57/94/810835794.db2.gz MSVULXJGWVBLHC-UPJWGTAASA-N 2 1 279.384 -0.204 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001098407748 810843317 /nfs/dbraw/zinc/84/33/17/810843317.db2.gz QCUVTJCNVPXUFB-UPJWGTAASA-N 2 1 278.356 -0.095 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001098407748 810843321 /nfs/dbraw/zinc/84/33/21/810843321.db2.gz QCUVTJCNVPXUFB-UPJWGTAASA-N 2 1 278.356 -0.095 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098450592 810846027 /nfs/dbraw/zinc/84/60/27/810846027.db2.gz CCWYBIBJSXUYCA-CQSZACIVSA-N 2 1 299.415 -0.642 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH+](CCO)CCO)CC2)C1 ZINC001098560831 810851472 /nfs/dbraw/zinc/85/14/72/810851472.db2.gz CZEXXNBIZGNNQN-CYBMUJFWSA-N 2 1 299.415 -0.784 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157112961 815406400 /nfs/dbraw/zinc/40/64/00/815406400.db2.gz DKJPGHDBZQMIQY-LLVKDONJSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157112961 815406403 /nfs/dbraw/zinc/40/64/03/815406403.db2.gz DKJPGHDBZQMIQY-LLVKDONJSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157112961 815406406 /nfs/dbraw/zinc/40/64/06/815406406.db2.gz DKJPGHDBZQMIQY-LLVKDONJSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157112961 815406408 /nfs/dbraw/zinc/40/64/08/815406408.db2.gz DKJPGHDBZQMIQY-LLVKDONJSA-N 2 1 272.393 -0.362 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)CCC1 ZINC001099874186 810960339 /nfs/dbraw/zinc/96/03/39/810960339.db2.gz HIJMWXJTNWCECQ-QWHCGFSZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)CC1 ZINC001099971413 810980507 /nfs/dbraw/zinc/98/05/07/810980507.db2.gz HJXKKYGRLFSAHD-QWHCGFSZSA-N 2 1 299.415 -0.738 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973341 810981229 /nfs/dbraw/zinc/98/12/29/810981229.db2.gz BIYJNKXTLONVPX-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001099986547 810985513 /nfs/dbraw/zinc/98/55/13/810985513.db2.gz MIASNROBTANLOA-VXGBXAGGSA-N 2 1 275.368 -0.151 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099988340 810986717 /nfs/dbraw/zinc/98/67/17/810986717.db2.gz HDUUTXDMSLKOIE-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CC)C[C@H]1O ZINC001100041770 811001760 /nfs/dbraw/zinc/00/17/60/811001760.db2.gz NZAGXPXCCKCXSV-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100042117 811005127 /nfs/dbraw/zinc/00/51/27/811005127.db2.gz UBATWEDIAYTSGO-CHWSQXEVSA-N 2 1 287.404 -0.738 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100073475 811013879 /nfs/dbraw/zinc/01/38/79/811013879.db2.gz CQQBGEBYOCXBOG-QWHCGFSZSA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074645 811014335 /nfs/dbraw/zinc/01/43/35/811014335.db2.gz QOQRRYKSZFLCCF-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001100077017 811014512 /nfs/dbraw/zinc/01/45/12/811014512.db2.gz WQQVYLZZPDMSGV-KBPBESRZSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCCO)C[C@H]1O ZINC001100080958 811016014 /nfs/dbraw/zinc/01/60/14/811016014.db2.gz OEQZRSULCYZNJU-QWHCGFSZSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100080958 811016017 /nfs/dbraw/zinc/01/60/17/811016017.db2.gz OEQZRSULCYZNJU-QWHCGFSZSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100080958 811016025 /nfs/dbraw/zinc/01/60/25/811016025.db2.gz OEQZRSULCYZNJU-QWHCGFSZSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCO)C[C@@H]1O ZINC001100080956 811017856 /nfs/dbraw/zinc/01/78/56/811017856.db2.gz OEQZRSULCYZNJU-OLZOCXBDSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100080956 811017863 /nfs/dbraw/zinc/01/78/63/811017863.db2.gz OEQZRSULCYZNJU-OLZOCXBDSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100080956 811017872 /nfs/dbraw/zinc/01/78/72/811017872.db2.gz OEQZRSULCYZNJU-OLZOCXBDSA-N 2 1 287.404 -0.738 20 0 CBADMP CCOCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109184 811021656 /nfs/dbraw/zinc/02/16/56/811021656.db2.gz AOZKJCVHVKKDBL-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100127785 811025578 /nfs/dbraw/zinc/02/55/78/811025578.db2.gz YUOWAWGBWGEECZ-ZIAGYGMSSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCO)C1 ZINC001100187959 811035517 /nfs/dbraw/zinc/03/55/17/811035517.db2.gz UFDPLIIPFKEPJK-BPCQOVAHSA-N 2 1 269.389 -0.053 20 0 CBADMP COCC[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758839 811078034 /nfs/dbraw/zinc/07/80/34/811078034.db2.gz QNWBHRMQUNQYCI-UHFFFAOYSA-N 2 1 299.415 -0.161 20 0 CBADMP C[C@@H](O)C[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758732 811078103 /nfs/dbraw/zinc/07/81/03/811078103.db2.gz MBMHNPVNCFMZLC-IYXRBSQSSA-N 2 1 299.415 -0.426 20 0 CBADMP CNC(=O)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001100983453 811088959 /nfs/dbraw/zinc/08/89/59/811088959.db2.gz JDPDQEAZZYAPKI-UHFFFAOYSA-N 2 1 293.371 -0.578 20 0 CBADMP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100981021 811089039 /nfs/dbraw/zinc/08/90/39/811089039.db2.gz RCCDOZNCXDJAAF-OTTFEQOBSA-N 2 1 296.415 -0.489 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCOC)C2)C1 ZINC001101006697 811090756 /nfs/dbraw/zinc/09/07/56/811090756.db2.gz UZLZLTSVFLSPST-JXQTWKCFSA-N 2 1 299.415 -0.162 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCOC)C2)C1 ZINC001101006697 811090766 /nfs/dbraw/zinc/09/07/66/811090766.db2.gz UZLZLTSVFLSPST-JXQTWKCFSA-N 2 1 299.415 -0.162 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCCO)C2)C1 ZINC001101009438 811091237 /nfs/dbraw/zinc/09/12/37/811091237.db2.gz SDWKNZWNGIGVOD-JXQTWKCFSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCCO)C2)C1 ZINC001101009438 811091246 /nfs/dbraw/zinc/09/12/46/811091246.db2.gz SDWKNZWNGIGVOD-JXQTWKCFSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047697 811146328 /nfs/dbraw/zinc/14/63/28/811146328.db2.gz QBZXLJGBYJWMMC-QKCSRTOESA-N 2 1 296.415 -0.504 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366946 811152273 /nfs/dbraw/zinc/15/22/73/811152273.db2.gz VWTFIDLJRLJCTA-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102366946 811152281 /nfs/dbraw/zinc/15/22/81/811152281.db2.gz VWTFIDLJRLJCTA-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102366946 811152288 /nfs/dbraw/zinc/15/22/88/811152288.db2.gz VWTFIDLJRLJCTA-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102319075 811152320 /nfs/dbraw/zinc/15/23/20/811152320.db2.gz XSYBLMSHTKKMNL-GRYCIOLGSA-N 2 1 284.404 -0.504 20 0 CBADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318645 811153161 /nfs/dbraw/zinc/15/31/61/811153161.db2.gz CMPVAKTYJSLTFN-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102314720 811153459 /nfs/dbraw/zinc/15/34/59/811153459.db2.gz XHSREXNQUVKUNQ-VXGBXAGGSA-N 2 1 284.404 -0.632 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722665 811186087 /nfs/dbraw/zinc/18/60/87/811186087.db2.gz YQRQODAJPFLUKJ-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])C(=O)CNC2CC[NH2+]CC2)n[nH]1 ZINC001157439544 815433930 /nfs/dbraw/zinc/43/39/30/815433930.db2.gz JMDBYBCQBBNYHE-UHFFFAOYSA-N 2 1 279.348 -0.714 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105942124 811280327 /nfs/dbraw/zinc/28/03/27/811280327.db2.gz ZNEGPWWCAQMRPR-UPJWGTAASA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCCO ZINC001105973745 811283630 /nfs/dbraw/zinc/28/36/30/811283630.db2.gz ACJYGSJKWGEYIB-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCCO ZINC001105973745 811283637 /nfs/dbraw/zinc/28/36/37/811283637.db2.gz ACJYGSJKWGEYIB-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCF ZINC001105974357 811283778 /nfs/dbraw/zinc/28/37/78/811283778.db2.gz VWJJFKIQXXVXJN-UPJWGTAASA-N 2 1 287.379 -0.029 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCF ZINC001105974357 811283783 /nfs/dbraw/zinc/28/37/83/811283783.db2.gz VWJJFKIQXXVXJN-UPJWGTAASA-N 2 1 287.379 -0.029 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981117 811320855 /nfs/dbraw/zinc/32/08/55/811320855.db2.gz GJYZZNGQUIVQGE-JHJVBQTASA-N 2 1 296.415 -0.632 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981115 811321410 /nfs/dbraw/zinc/32/14/10/811321410.db2.gz GJYZZNGQUIVQGE-FRRDWIJNSA-N 2 1 296.415 -0.632 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001107530726 811339759 /nfs/dbraw/zinc/33/97/59/811339759.db2.gz INNCPHLATPBSAR-IUODEOHRSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCN(CCC(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)CC1 ZINC001157530863 815442280 /nfs/dbraw/zinc/44/22/80/815442280.db2.gz KZPOSDBJICLXNJ-MNOVXSKESA-N 2 1 258.341 -0.869 20 0 CBADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)C1 ZINC001157538837 815443453 /nfs/dbraw/zinc/44/34/53/815443453.db2.gz TUVNRVVYHMYXGB-OUAUKWLOSA-N 2 1 272.368 -0.434 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108165209 811417341 /nfs/dbraw/zinc/41/73/41/811417341.db2.gz COQNXCKGKXDEPI-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108165209 811417348 /nfs/dbraw/zinc/41/73/48/811417348.db2.gz COQNXCKGKXDEPI-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)CC1 ZINC001108182200 811420456 /nfs/dbraw/zinc/42/04/56/811420456.db2.gz BNRNUFCMKJWKMM-HNNXBMFYSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)CC1 ZINC001108182200 811420460 /nfs/dbraw/zinc/42/04/60/811420460.db2.gz BNRNUFCMKJWKMM-HNNXBMFYSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@]1(C)C[NH+](CCO)CCO1 ZINC001108325753 811439189 /nfs/dbraw/zinc/43/91/89/811439189.db2.gz USEVATWJQVIDQS-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(C)C[NH+](CCO)CCO1 ZINC001108325753 811439195 /nfs/dbraw/zinc/43/91/95/811439195.db2.gz USEVATWJQVIDQS-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108325753 811439200 /nfs/dbraw/zinc/43/92/00/811439200.db2.gz USEVATWJQVIDQS-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108325753 811439205 /nfs/dbraw/zinc/43/92/05/811439205.db2.gz USEVATWJQVIDQS-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP CC(C)[NH+]1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108568037 811459449 /nfs/dbraw/zinc/45/94/49/811459449.db2.gz HOZHGTXKUWAFGR-LBPRGKRZSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[NH+]1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569292 811459711 /nfs/dbraw/zinc/45/97/11/811459711.db2.gz DYDDMJUYUVUSJC-NSHDSACASA-N 2 1 282.388 -0.641 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CC)C2)C1 ZINC001108584207 811460245 /nfs/dbraw/zinc/46/02/45/811460245.db2.gz CGUSIEVBRLFXGP-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CC)C2)C1 ZINC001108584207 811460250 /nfs/dbraw/zinc/46/02/50/811460250.db2.gz CGUSIEVBRLFXGP-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP COC(=O)[C@]1(F)CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001157715298 815455888 /nfs/dbraw/zinc/45/58/88/815455888.db2.gz DHFZHBKWVDVGHD-ZDUSSCGKSA-N 2 1 287.335 -0.558 20 0 CBADMP C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277366 811544151 /nfs/dbraw/zinc/54/41/51/811544151.db2.gz OFDRQHNCMSIRQO-DGAVXFQQSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(N)=O ZINC001111309733 811544287 /nfs/dbraw/zinc/54/42/87/811544287.db2.gz WRFUZMAEPFYKPC-LOWDOPEQSA-N 2 1 296.415 -0.077 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(N)=O ZINC001111309733 811544294 /nfs/dbraw/zinc/54/42/94/811544294.db2.gz WRFUZMAEPFYKPC-LOWDOPEQSA-N 2 1 296.415 -0.077 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(N)=O ZINC001111309733 811544301 /nfs/dbraw/zinc/54/43/01/811544301.db2.gz WRFUZMAEPFYKPC-LOWDOPEQSA-N 2 1 296.415 -0.077 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(N)=O ZINC001111309733 811544307 /nfs/dbraw/zinc/54/43/07/811544307.db2.gz WRFUZMAEPFYKPC-LOWDOPEQSA-N 2 1 296.415 -0.077 20 0 CBADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)c1cnc(C[NH3+])s1 ZINC001157720142 815456356 /nfs/dbraw/zinc/45/63/56/815456356.db2.gz AUSZDSLLSRYQES-MRVPVSSYSA-N 2 1 270.358 -0.338 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111864321 811559961 /nfs/dbraw/zinc/55/99/61/811559961.db2.gz KORJFFRXDCHWFM-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]1C[N@H+](C(C)(C)C)CCN1 ZINC001157720253 815457246 /nfs/dbraw/zinc/45/72/46/815457246.db2.gz DPDAIGOVZPPLDU-CHWSQXEVSA-N 2 1 298.431 -0.495 20 0 CBADMP COC[C@H](O)C[NH+]1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001113270376 811626263 /nfs/dbraw/zinc/62/62/63/811626263.db2.gz LUXXYKYQOFBWLG-CYBMUJFWSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[NH+](CCCO)CC1 ZINC001113495424 811642454 /nfs/dbraw/zinc/64/24/54/811642454.db2.gz FOHBLMPYXUDOEW-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[NH+](CCCO)CC1 ZINC001113495424 811642459 /nfs/dbraw/zinc/64/24/59/811642459.db2.gz FOHBLMPYXUDOEW-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP [NH3+]C[C@@]1(F)CCCN(C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC001157753863 815462863 /nfs/dbraw/zinc/46/28/63/815462863.db2.gz GVLNCOQGCJHBQH-WCQYABFASA-N 2 1 273.352 -0.268 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001157844903 815470652 /nfs/dbraw/zinc/47/06/52/815470652.db2.gz YGGDEQPHCZAKNF-DCAQKATOSA-N 2 1 271.361 -0.147 20 0 CBADMP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001157841801 815470658 /nfs/dbraw/zinc/47/06/58/815470658.db2.gz HXZBOSNZSMTHSX-KSFQGOMNSA-N 2 1 266.389 -0.206 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114414354 811747146 /nfs/dbraw/zinc/74/71/46/811747146.db2.gz RMZNXIWQVOMKQV-WUWHUORYSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114414354 811747153 /nfs/dbraw/zinc/74/71/53/811747153.db2.gz RMZNXIWQVOMKQV-WUWHUORYSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114414354 811747162 /nfs/dbraw/zinc/74/71/62/811747162.db2.gz RMZNXIWQVOMKQV-WUWHUORYSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114414354 811747170 /nfs/dbraw/zinc/74/71/70/811747170.db2.gz RMZNXIWQVOMKQV-WUWHUORYSA-N 2 1 294.399 -0.609 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN(c2nccnc2Cl)CC1 ZINC001157877307 815475783 /nfs/dbraw/zinc/47/57/83/815475783.db2.gz AKLSAPMMQDPWMQ-VIFPVBQESA-N 2 1 298.778 -0.545 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001157887868 815476510 /nfs/dbraw/zinc/47/65/10/815476510.db2.gz ZGGHVSUPJYPAFX-NSHDSACASA-N 2 1 270.377 -0.560 20 0 CBADMP [NH3+]Cc1ncn(-c2nc(Cl)nc3c2C[NH2+]CC3)n1 ZINC001157926904 815484923 /nfs/dbraw/zinc/48/49/23/815484923.db2.gz XIRIEXMSDBTGKX-UHFFFAOYSA-N 2 1 265.708 -0.185 20 0 CBADMP CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114773884 812159342 /nfs/dbraw/zinc/15/93/42/812159342.db2.gz DJHWYYNVFUIUQJ-YABSGUDNSA-N 2 1 282.388 -0.927 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161546 815507021 /nfs/dbraw/zinc/50/70/21/815507021.db2.gz QDFMRLCSIMVXTD-AAEUAGOBSA-N 2 1 253.346 -0.281 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001158160202 815507587 /nfs/dbraw/zinc/50/75/87/815507587.db2.gz JFXZYNDNYUHAPA-NTZNESFSSA-N 2 1 252.362 -0.580 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001114998222 812171795 /nfs/dbraw/zinc/17/17/95/812171795.db2.gz PZYQWIHGTPSVEX-CXTNEJHOSA-N 2 1 299.415 -0.618 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](C)O)C[C@H]21 ZINC001115081504 812177596 /nfs/dbraw/zinc/17/75/96/812177596.db2.gz SGROPOUROIAIOH-NMKXLXIOSA-N 2 1 269.389 -0.245 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001115081504 812177604 /nfs/dbraw/zinc/17/76/04/812177604.db2.gz SGROPOUROIAIOH-NMKXLXIOSA-N 2 1 269.389 -0.245 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001115081504 812177611 /nfs/dbraw/zinc/17/76/11/812177611.db2.gz SGROPOUROIAIOH-NMKXLXIOSA-N 2 1 269.389 -0.245 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115159106 812183636 /nfs/dbraw/zinc/18/36/36/812183636.db2.gz DAESSBACSHYCDO-CZXHOFHRSA-N 2 1 294.399 -0.737 20 0 CBADMP 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 812190772 /nfs/dbraw/zinc/19/07/72/812190772.db2.gz RUZZRBFOLKLZDP-RMRHIDDWSA-N 2 1 299.415 -0.620 20 0 CBADMP COC[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115304496 812190779 /nfs/dbraw/zinc/19/07/79/812190779.db2.gz RUZZRBFOLKLZDP-RMRHIDDWSA-N 2 1 299.415 -0.620 20 0 CBADMP COC[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115304496 812190784 /nfs/dbraw/zinc/19/07/84/812190784.db2.gz RUZZRBFOLKLZDP-RMRHIDDWSA-N 2 1 299.415 -0.620 20 0 CBADMP O=C1CNC(=O)N1CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001115994960 812210927 /nfs/dbraw/zinc/21/09/27/812210927.db2.gz JBPUOIWWQRMBRF-NXEZZACHSA-N 2 1 252.318 -0.921 20 0 CBADMP [NH3+]Cc1ncc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC001158178692 815509450 /nfs/dbraw/zinc/50/94/50/815509450.db2.gz APWIRAWDNHKENB-RKDXNWHRSA-N 2 1 282.369 -0.338 20 0 CBADMP CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001158415183 815526878 /nfs/dbraw/zinc/52/68/78/815526878.db2.gz KXELEVRDOSWVPO-MISXGVKJSA-N 2 1 299.371 -0.767 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCCC[NH3+])CC1 ZINC001118042771 812464234 /nfs/dbraw/zinc/46/42/34/812464234.db2.gz BYPWMNHMKUAWDC-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001118037190 812464365 /nfs/dbraw/zinc/46/43/65/812464365.db2.gz ATLIBSSKVNOIJR-LOWVWBTDSA-N 2 1 296.415 -0.301 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158422733 815527923 /nfs/dbraw/zinc/52/79/23/815527923.db2.gz LFTRZHKZSLASLX-LPEHRKFASA-N 2 1 255.318 -0.770 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158424334 815528024 /nfs/dbraw/zinc/52/80/24/815528024.db2.gz ROZAIHLTNPAZIW-RYUDHWBXSA-N 3 1 252.362 -0.709 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC001118189017 812488766 /nfs/dbraw/zinc/48/87/66/812488766.db2.gz GPBQAVLFFJILFD-CQSZACIVSA-N 2 1 298.431 -0.491 20 0 CBADMP Cc1[nH+]ccn1CCCN(C)C(=O)CNC(=O)C[NH3+] ZINC001118200355 812493940 /nfs/dbraw/zinc/49/39/40/812493940.db2.gz AUDAKSDQJHBUOZ-UHFFFAOYSA-N 2 1 267.333 -0.885 20 0 CBADMP [NH3+]Cc1nc(C(=O)NC[C@@H]2C[NH2+]CCO2)cs1 ZINC001118218539 812499685 /nfs/dbraw/zinc/49/96/85/812499685.db2.gz LDVFNQQNEWKJIP-ZETCQYMHSA-N 2 1 256.331 -0.680 20 0 CBADMP C[NH2+]CCCC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001118217163 812499811 /nfs/dbraw/zinc/49/98/11/812499811.db2.gz YBNWOWBGRNQRIX-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CC(C)NC(=O)CN1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC001118223477 812500950 /nfs/dbraw/zinc/50/09/50/812500950.db2.gz VJYPRIKJDHRADJ-UHFFFAOYSA-N 2 1 297.447 -0.966 20 0 CBADMP C[C@@H](C(=O)N1CCC[C@H](C[NH3+])C1)N1CC[NH+](C)CC1 ZINC001118260586 812510374 /nfs/dbraw/zinc/51/03/74/812510374.db2.gz MAGQEDDDSCKJCA-QWHCGFSZSA-N 2 1 268.405 -0.180 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1cnn(C)c1 ZINC001118265427 812511544 /nfs/dbraw/zinc/51/15/44/812511544.db2.gz ZNHCCIRYAJLTAF-JLLWLGSASA-N 2 1 265.361 -0.076 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001118276666 812516956 /nfs/dbraw/zinc/51/69/56/812516956.db2.gz AVQATIXTIIQYGD-JHJVBQTASA-N 3 1 268.405 -0.005 20 0 CBADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001118315316 812527573 /nfs/dbraw/zinc/52/75/73/812527573.db2.gz PTTRTHBPWYZOSV-AWEZNQCLSA-N 2 1 269.389 -0.053 20 0 CBADMP Cn1cnnc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC001118350135 812535819 /nfs/dbraw/zinc/53/58/19/812535819.db2.gz HSUJEVOGBDSALQ-UHFFFAOYSA-N 2 1 281.364 -0.849 20 0 CBADMP [NH3+]CCCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118389642 812543553 /nfs/dbraw/zinc/54/35/53/812543553.db2.gz OEQMGXGFTYZZNJ-WDEREUQCSA-N 2 1 256.350 -0.814 20 0 CBADMP O=C(NC1CC[NH2+]CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118390595 812544208 /nfs/dbraw/zinc/54/42/08/812544208.db2.gz VZVXJZNFBLFGMM-NWDGAFQWSA-N 2 1 268.361 -0.801 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001118486243 812555179 /nfs/dbraw/zinc/55/51/79/812555179.db2.gz JKBVCJYVWGSZCH-QWRGUYRKSA-N 2 1 280.372 -0.935 20 0 CBADMP O=C(NCCC[NH2+]CCF)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158507051 815536541 /nfs/dbraw/zinc/53/65/41/815536541.db2.gz OWJURANOKPJSIG-NEPJUHHUSA-N 2 1 273.352 -0.085 20 0 CBADMP O=C(NCCC[NH2+]CCCO)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158505341 815536692 /nfs/dbraw/zinc/53/66/92/815536692.db2.gz BEOIBDWLONIOHF-OLZOCXBDSA-N 2 1 285.388 -0.672 20 0 CBADMP [NH3+]C1([C@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@H]2CF)CC1 ZINC001158567645 815538697 /nfs/dbraw/zinc/53/86/97/815538697.db2.gz JEXMPIOIGRDKQH-YPMHNXCESA-N 3 1 298.406 -0.137 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)C1 ZINC001158576611 815539273 /nfs/dbraw/zinc/53/92/73/815539273.db2.gz CCPJKOXRIMNRTF-YTWAJWBKSA-N 2 1 270.352 -0.789 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158626632 815540284 /nfs/dbraw/zinc/54/02/84/815540284.db2.gz WFMUYJOIQAUXBT-KYEXWDHISA-N 3 1 280.416 -0.264 20 0 CBADMP C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158626632 815540286 /nfs/dbraw/zinc/54/02/86/815540286.db2.gz WFMUYJOIQAUXBT-KYEXWDHISA-N 2 1 280.416 -0.264 20 0 CBADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001158626069 815540679 /nfs/dbraw/zinc/54/06/79/815540679.db2.gz DDRUVLUEFVHVQO-DMDPSCGWSA-N 3 1 268.405 -0.136 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001158626069 815540683 /nfs/dbraw/zinc/54/06/83/815540683.db2.gz DDRUVLUEFVHVQO-DMDPSCGWSA-N 3 1 268.405 -0.136 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001118903619 812657430 /nfs/dbraw/zinc/65/74/30/812657430.db2.gz UWHMTMREAXPUON-SDDRHHMPSA-N 2 1 284.404 -0.409 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001118964047 812678418 /nfs/dbraw/zinc/67/84/18/812678418.db2.gz XOWDRZCGEJKZHO-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158852481 815549466 /nfs/dbraw/zinc/54/94/66/815549466.db2.gz GPBBACGFCRWGCQ-CYBMUJFWSA-N 2 1 296.415 -0.120 20 0 CBADMP C[N@H+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1(C)C ZINC001119366851 812768424 /nfs/dbraw/zinc/76/84/24/812768424.db2.gz KYKUVZDJTOOSNJ-VIFPVBQESA-N 2 1 254.334 -0.357 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC001119368161 812768596 /nfs/dbraw/zinc/76/85/96/812768596.db2.gz FVFOLKOHPMQUHF-XQHKEYJVSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC001119368161 812768602 /nfs/dbraw/zinc/76/86/02/812768602.db2.gz FVFOLKOHPMQUHF-XQHKEYJVSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC001119407881 812777170 /nfs/dbraw/zinc/77/71/70/812777170.db2.gz RBOYZSBGEKOKEK-MROQNXINSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119416851 812777897 /nfs/dbraw/zinc/77/78/97/812777897.db2.gz JPXIEQWJSNCXFM-DCQANWLSSA-N 2 1 294.399 -0.561 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119427643 812783147 /nfs/dbraw/zinc/78/31/47/812783147.db2.gz SIXDERXRTGXFGT-IJLUTSLNSA-N 2 1 282.388 -0.608 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CCCO1 ZINC001119618263 812834896 /nfs/dbraw/zinc/83/48/96/812834896.db2.gz DTJXHKMANMWCAF-VXGBXAGGSA-N 2 1 254.334 -0.706 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)CCCO1 ZINC001119618263 812834908 /nfs/dbraw/zinc/83/49/08/812834908.db2.gz DTJXHKMANMWCAF-VXGBXAGGSA-N 2 1 254.334 -0.706 20 0 CBADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC001120269607 812944853 /nfs/dbraw/zinc/94/48/53/812944853.db2.gz VQWNDKQYKSMUJS-SBMIAAHKSA-N 2 1 252.318 -0.602 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC001120273859 812946727 /nfs/dbraw/zinc/94/67/27/812946727.db2.gz UDUSGPMFUVRKSD-NWDGAFQWSA-N 2 1 260.378 -0.445 20 0 CBADMP C[NH2+]CCC[N@@H+]1C[C@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001120362236 812953125 /nfs/dbraw/zinc/95/31/25/812953125.db2.gz IZBNYUPAGGYYEX-AOOOYVTPSA-N 2 1 258.318 -0.510 20 0 CBADMP C[NH2+]CCC[N@H+]1C[C@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001120362236 812953133 /nfs/dbraw/zinc/95/31/33/812953133.db2.gz IZBNYUPAGGYYEX-AOOOYVTPSA-N 2 1 258.318 -0.510 20 0 CBADMP CCn1cnnc1CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC001120488694 812974077 /nfs/dbraw/zinc/97/40/77/812974077.db2.gz IOKMGQMMGNWPNS-LBPRGKRZSA-N 2 1 267.377 -0.113 20 0 CBADMP CCn1cnnc1CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC001120488693 812974349 /nfs/dbraw/zinc/97/43/49/812974349.db2.gz IOKMGQMMGNWPNS-GFCCVEGCSA-N 2 1 267.377 -0.113 20 0 CBADMP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159290129 815567206 /nfs/dbraw/zinc/56/72/06/815567206.db2.gz DHCRNTOJOPCUEL-STQMWFEESA-N 2 1 279.384 -0.347 20 0 CBADMP O=C([C@H]1[NH2+]CC[C@H]1O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159290564 815567504 /nfs/dbraw/zinc/56/75/04/815567504.db2.gz GXIVXBZYAINGCO-OLZOCXBDSA-N 2 1 279.384 -0.347 20 0 CBADMP [NH3+]CCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001120626766 813002353 /nfs/dbraw/zinc/00/23/53/813002353.db2.gz STXTXQSNVNVKLO-NXEZZACHSA-N 2 1 258.391 -0.176 20 0 CBADMP [NH3+]CCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001120626768 813002636 /nfs/dbraw/zinc/00/26/36/813002636.db2.gz STXTXQSNVNVKLO-VHSXEESVSA-N 2 1 258.391 -0.176 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001159334330 815569932 /nfs/dbraw/zinc/56/99/32/815569932.db2.gz CJIDGRTVRMFSAV-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001159335021 815569971 /nfs/dbraw/zinc/56/99/71/815569971.db2.gz OYUCFILTLYOYBC-LLVKDONJSA-N 2 1 270.377 -0.558 20 0 CBADMP CN(CC[NH3+])CCNc1ccnc(N2CC[NH+](C)CC2)n1 ZINC001159443173 815573918 /nfs/dbraw/zinc/57/39/18/815573918.db2.gz LZXDWECUZJBGBX-UHFFFAOYSA-N 2 1 293.419 -0.469 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@H](C[NH3+])C1 ZINC001121811357 813077530 /nfs/dbraw/zinc/07/75/30/813077530.db2.gz ZTKMAFYWGJLFHE-UTUOFQBUSA-N 2 1 252.362 -0.818 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC[NH2+]1 ZINC001121896532 813087059 /nfs/dbraw/zinc/08/70/59/813087059.db2.gz INEOSWXDIPMXHN-GRYCIOLGSA-N 2 1 252.362 -0.805 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)CNCC[NH3+])[C@@H](C)C1 ZINC001122002537 813102869 /nfs/dbraw/zinc/10/28/69/813102869.db2.gz GNAWOFHLFROBEP-RYUDHWBXSA-N 2 1 256.394 -0.277 20 0 CBADMP [NH3+]CCNCC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001122003033 813103008 /nfs/dbraw/zinc/10/30/08/813103008.db2.gz AOOOQHNPNCMBTP-STQMWFEESA-N 2 1 284.404 -0.706 20 0 CBADMP C[NH+](C)[C@H](C(=O)NC[C@@H](O)C[NH3+])c1ccccc1 ZINC001122073577 813113594 /nfs/dbraw/zinc/11/35/94/813113594.db2.gz QEJWYMKQCOAXJO-RYUDHWBXSA-N 2 1 251.330 -0.275 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[NH+]1CCC(CO)CC1 ZINC001122166954 813126633 /nfs/dbraw/zinc/12/66/33/813126633.db2.gz HBHMVFUUDISHFC-QWHCGFSZSA-N 2 1 269.389 -0.053 20 0 CBADMP [NH3+][C@H](CO)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001122166922 813127191 /nfs/dbraw/zinc/12/71/91/813127191.db2.gz PZTMOLYOMJWGQM-OPRDCNLKSA-N 2 1 259.375 -0.998 20 0 CBADMP [NH3+][C@H](CO)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001122166922 813127194 /nfs/dbraw/zinc/12/71/94/813127194.db2.gz PZTMOLYOMJWGQM-OPRDCNLKSA-N 2 1 259.375 -0.998 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC[C@@H]21 ZINC001122191469 813130309 /nfs/dbraw/zinc/13/03/09/813130309.db2.gz MMXMFICVKKQGKO-OUAUKWLOSA-N 2 1 255.362 -0.363 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[C@@H]1C[NH3+] ZINC001122221302 813135534 /nfs/dbraw/zinc/13/55/34/813135534.db2.gz WQQFTIBZCOOFFH-UTUOFQBUSA-N 2 1 252.362 -0.676 20 0 CBADMP O=C(N1CCNCC[NH2+]CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001122287822 813140588 /nfs/dbraw/zinc/14/05/88/813140588.db2.gz BTMIIEVQANUZMB-AWEZNQCLSA-N 2 1 266.389 -0.506 20 0 CBADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001122289480 813140600 /nfs/dbraw/zinc/14/06/00/813140600.db2.gz LYAMKLPQZDSJLU-JFGNBEQYSA-N 2 1 261.329 -0.220 20 0 CBADMP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001122378620 813156485 /nfs/dbraw/zinc/15/64/85/813156485.db2.gz ZVGDPOCSSZCUOC-CHWSQXEVSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@H](NC(=O)C1CC[NH2+]CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001122447125 813165355 /nfs/dbraw/zinc/16/53/55/813165355.db2.gz BILZNJRWOZPZIY-AAEUAGOBSA-N 2 1 268.405 -0.264 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@@H](CO)C1 ZINC001122447005 813165730 /nfs/dbraw/zinc/16/57/30/813165730.db2.gz ABSXRJOSLZRAQQ-IRCOFANPSA-N 2 1 253.346 -0.738 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@@H](CO)C1 ZINC001122447005 813165732 /nfs/dbraw/zinc/16/57/32/813165732.db2.gz ABSXRJOSLZRAQQ-IRCOFANPSA-N 2 1 253.346 -0.738 20 0 CBADMP C[C@@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1C[N@@H+](C)CCN1C ZINC001122449125 813166376 /nfs/dbraw/zinc/16/63/76/813166376.db2.gz SSMAVCBPGSEKHR-MNOVXSKESA-N 2 1 256.394 -0.136 20 0 CBADMP C[C@@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1CN(C)CC[N@@H+]1C ZINC001122449125 813166384 /nfs/dbraw/zinc/16/63/84/813166384.db2.gz SSMAVCBPGSEKHR-MNOVXSKESA-N 2 1 256.394 -0.136 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122474826 813167701 /nfs/dbraw/zinc/16/77/01/813167701.db2.gz MEYYQRBMTIKAAE-NHAGDIPZSA-N 2 1 299.415 -0.353 20 0 CBADMP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001122535922 813174575 /nfs/dbraw/zinc/17/45/75/813174575.db2.gz LSZNZNBAMPLOTM-IJLUTSLNSA-N 2 1 255.362 -0.219 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CCC[N@@H+](C)CC1 ZINC001123476495 813241995 /nfs/dbraw/zinc/24/19/95/813241995.db2.gz QHNJBMWAEZJGPE-QWHCGFSZSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C)[NH+](C)C ZINC001123494469 813243580 /nfs/dbraw/zinc/24/35/80/813243580.db2.gz MAYYMZAMIKOEOW-GRYCIOLGSA-N 2 1 254.378 -0.559 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001123859593 813282001 /nfs/dbraw/zinc/28/20/01/813282001.db2.gz HBWGYTICKJWCLP-AWEZNQCLSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001123878684 813285566 /nfs/dbraw/zinc/28/55/66/813285566.db2.gz ZQEFHJFRTOLGRT-SDDRHHMPSA-N 2 1 254.378 -0.559 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC(C[NH+](C)C)C1 ZINC001123893189 813288501 /nfs/dbraw/zinc/28/85/01/813288501.db2.gz JUSDLPGXWGRLJP-WCQYABFASA-N 2 1 266.389 -0.605 20 0 CBADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001124866739 813489298 /nfs/dbraw/zinc/48/92/98/813489298.db2.gz JZTBXEDCVKHKBP-YPMHNXCESA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001124867066 813489902 /nfs/dbraw/zinc/48/99/02/813489902.db2.gz RFPFOXHLXKEFAL-JTQLQIEISA-N 2 1 295.343 -0.587 20 0 CBADMP CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124866941 813490154 /nfs/dbraw/zinc/49/01/54/813490154.db2.gz NZZMIHBSHQCGCL-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124872599 813491131 /nfs/dbraw/zinc/49/11/31/813491131.db2.gz LODRMVSCONCQKZ-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124867487 813491687 /nfs/dbraw/zinc/49/16/87/813491687.db2.gz WIQSMNXSHJVVBA-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001124867682 813492013 /nfs/dbraw/zinc/49/20/13/813492013.db2.gz XWEZQOXXTGTCHA-STQMWFEESA-N 2 1 295.387 -0.956 20 0 CBADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124867485 813492750 /nfs/dbraw/zinc/49/27/50/813492750.db2.gz WIQSMNXSHJVVBA-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124873305 813494363 /nfs/dbraw/zinc/49/43/63/813494363.db2.gz WEVQTAPVOGMHKL-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP Cn1nccc1CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124877968 813494544 /nfs/dbraw/zinc/49/45/44/813494544.db2.gz JLIJKWVZBCUFDI-CYBMUJFWSA-N 2 1 279.388 -0.237 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001124877664 813494591 /nfs/dbraw/zinc/49/45/91/813494591.db2.gz HVUADOZFVNPCDJ-GFCCVEGCSA-N 2 1 282.388 -0.687 20 0 CBADMP CN1CCC[C@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001124878048 813494670 /nfs/dbraw/zinc/49/46/70/813494670.db2.gz KRZZTWXZWZVBID-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001124877665 813494776 /nfs/dbraw/zinc/49/47/76/813494776.db2.gz HVUADOZFVNPCDJ-LBPRGKRZSA-N 2 1 282.388 -0.687 20 0 CBADMP CCn1nc(C)c(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001124878429 813495278 /nfs/dbraw/zinc/49/52/78/813495278.db2.gz MAPCNRAQRSXFMZ-ZDUSSCGKSA-N 2 1 294.403 -0.094 20 0 CBADMP CCn1nc(C)c(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001124878429 813495282 /nfs/dbraw/zinc/49/52/82/813495282.db2.gz MAPCNRAQRSXFMZ-ZDUSSCGKSA-N 2 1 294.403 -0.094 20 0 CBADMP CC(C)=CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125203029 813530068 /nfs/dbraw/zinc/53/00/68/813530068.db2.gz IEIUYRZDTQIVSP-LBPRGKRZSA-N 2 1 255.362 -0.011 20 0 CBADMP CC(C)=CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125203029 813530070 /nfs/dbraw/zinc/53/00/70/813530070.db2.gz IEIUYRZDTQIVSP-LBPRGKRZSA-N 2 1 255.362 -0.011 20 0 CBADMP Cc1nn(C)cc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125213026 813532209 /nfs/dbraw/zinc/53/22/09/813532209.db2.gz AEQCRKKWIMQOPW-CYBMUJFWSA-N 2 1 295.387 -0.735 20 0 CBADMP Cc1nn(C)cc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125213026 813532213 /nfs/dbraw/zinc/53/22/13/813532213.db2.gz AEQCRKKWIMQOPW-CYBMUJFWSA-N 2 1 295.387 -0.735 20 0 CBADMP Cc1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)s1 ZINC001125214162 813533353 /nfs/dbraw/zinc/53/33/53/813533353.db2.gz QILISGGAPHSHMP-GFCCVEGCSA-N 2 1 298.412 -0.012 20 0 CBADMP Cc1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)s1 ZINC001125214162 813533362 /nfs/dbraw/zinc/53/33/62/813533362.db2.gz QILISGGAPHSHMP-GFCCVEGCSA-N 2 1 298.412 -0.012 20 0 CBADMP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)sn1 ZINC001125220861 813535135 /nfs/dbraw/zinc/53/51/35/813535135.db2.gz LKNRDXJBKZMTPK-LBPRGKRZSA-N 2 1 298.412 -0.012 20 0 CBADMP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)sn1 ZINC001125220861 813535143 /nfs/dbraw/zinc/53/51/43/813535143.db2.gz LKNRDXJBKZMTPK-LBPRGKRZSA-N 2 1 298.412 -0.012 20 0 CBADMP CO[C@H](C)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125221763 813535198 /nfs/dbraw/zinc/53/51/98/813535198.db2.gz TYERPFKYRSCVDP-GHMZBOCLSA-N 2 1 259.350 -0.942 20 0 CBADMP CO[C@H](C)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125221763 813535204 /nfs/dbraw/zinc/53/52/04/813535204.db2.gz TYERPFKYRSCVDP-GHMZBOCLSA-N 2 1 259.350 -0.942 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCc2ccns2)C1 ZINC001125221250 813535286 /nfs/dbraw/zinc/53/52/86/813535286.db2.gz OQJJTJQDJJXOCT-GFCCVEGCSA-N 2 1 298.412 -0.278 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCc2ccns2)C1 ZINC001125221250 813535291 /nfs/dbraw/zinc/53/52/91/813535291.db2.gz OQJJTJQDJJXOCT-GFCCVEGCSA-N 2 1 298.412 -0.278 20 0 CBADMP CC(C)COCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125223241 813538026 /nfs/dbraw/zinc/53/80/26/813538026.db2.gz ZJVWDEKFLWIZDP-ZDUSSCGKSA-N 2 1 287.404 -0.305 20 0 CBADMP CC(C)COCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125223241 813538031 /nfs/dbraw/zinc/53/80/31/813538031.db2.gz ZJVWDEKFLWIZDP-ZDUSSCGKSA-N 2 1 287.404 -0.305 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001127065599 813709375 /nfs/dbraw/zinc/70/93/75/813709375.db2.gz BUUYLMSQEGQTET-VXGBXAGGSA-N 2 1 257.378 -0.054 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001127066391 813709597 /nfs/dbraw/zinc/70/95/97/813709597.db2.gz NFIHIIDQENQKBX-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127065684 813710465 /nfs/dbraw/zinc/71/04/65/813710465.db2.gz CWTIHIRIXRCMTE-STQMWFEESA-N 2 1 287.404 -0.428 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127077670 813711391 /nfs/dbraw/zinc/71/13/91/813711391.db2.gz GVQTUYGUYHQQJP-NWDGAFQWSA-N 2 1 284.404 -0.301 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001127082241 813712325 /nfs/dbraw/zinc/71/23/25/813712325.db2.gz NAWCDPNLPMCCID-ZDUSSCGKSA-N 2 1 294.403 -0.143 20 0 CBADMP O=C(NCC[NH2+]CCCO)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255358 813721203 /nfs/dbraw/zinc/72/12/03/813721203.db2.gz IWSWIMDFRVPNGC-QWHCGFSZSA-N 2 1 269.389 -0.051 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357482 813725783 /nfs/dbraw/zinc/72/57/83/813725783.db2.gz ZDVQMRVUFABRPT-GFCCVEGCSA-N 2 1 296.415 -0.168 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001127474414 813731728 /nfs/dbraw/zinc/73/17/28/813731728.db2.gz LZAVNEWFLQSENX-CYBMUJFWSA-N 2 1 292.387 -0.637 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127639174 813739230 /nfs/dbraw/zinc/73/92/30/813739230.db2.gz VKQNOEICEYEDBI-CHWSQXEVSA-N 2 1 287.404 -0.305 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCn2cncn2)CC[N@H+]1C ZINC001127643641 813740148 /nfs/dbraw/zinc/74/01/48/813740148.db2.gz FAOBDHUFWFIUQP-VXGBXAGGSA-N 2 1 280.376 -0.676 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)CC[N@H+]1C ZINC001127644137 813740160 /nfs/dbraw/zinc/74/01/60/813740160.db2.gz WFTPKCCLBKCMTA-DGCLKSJQSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001127638457 813740305 /nfs/dbraw/zinc/74/03/05/813740305.db2.gz JVHGARFRBIFVBJ-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001127675696 813741876 /nfs/dbraw/zinc/74/18/76/813741876.db2.gz ULSOBQZWQHSSHX-QWRGUYRKSA-N 2 1 295.387 -0.024 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C)CC[N@@H+]1C ZINC001127690692 813742441 /nfs/dbraw/zinc/74/24/41/813742441.db2.gz QRQWFXHBWHJLER-WDEREUQCSA-N 2 1 295.391 -0.854 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C)CC[N@H+]1C ZINC001127690692 813742447 /nfs/dbraw/zinc/74/24/47/813742447.db2.gz QRQWFXHBWHJLER-WDEREUQCSA-N 2 1 295.391 -0.854 20 0 CBADMP O=C(NCC[NH2+]CC1CC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127778838 813747068 /nfs/dbraw/zinc/74/70/68/813747068.db2.gz GTCFMTFIMOLDTN-STQMWFEESA-N 2 1 267.373 -0.035 20 0 CBADMP CC(C)[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127760108 813747555 /nfs/dbraw/zinc/74/75/55/813747555.db2.gz DJFPPVMCYDIFHM-RYUDHWBXSA-N 2 1 255.362 -0.036 20 0 CBADMP O=C(NCC[NH2+]CCF)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779564 813748601 /nfs/dbraw/zinc/74/86/01/813748601.db2.gz OEWKQWQIMHKBSL-MNOVXSKESA-N 2 1 259.325 -0.475 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001128774126 813796292 /nfs/dbraw/zinc/79/62/92/813796292.db2.gz MJMRKCNCRNARHD-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC ZINC001128773910 813796913 /nfs/dbraw/zinc/79/69/13/813796913.db2.gz IHUGXKQIEOHABG-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001128778145 813797668 /nfs/dbraw/zinc/79/76/68/813797668.db2.gz BNTXZWOQPDOWOI-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001128773889 813797934 /nfs/dbraw/zinc/79/79/34/813797934.db2.gz HSPMKACARXTKDJ-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001128773889 813797941 /nfs/dbraw/zinc/79/79/41/813797941.db2.gz HSPMKACARXTKDJ-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001128779159 813798724 /nfs/dbraw/zinc/79/87/24/813798724.db2.gz PTIRJBATCUXYDB-SNVBAGLBSA-N 2 1 256.350 -0.948 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001128783866 813799422 /nfs/dbraw/zinc/79/94/22/813799422.db2.gz JLDXVUUHCCJBFP-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001128786133 813799691 /nfs/dbraw/zinc/79/96/91/813799691.db2.gz RTDFJCBUKPRIDG-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204973 813825029 /nfs/dbraw/zinc/82/50/29/813825029.db2.gz NJQASCIZFVYBFL-OLZOCXBDSA-N 2 1 294.403 -0.019 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CC(N)=O ZINC001129415778 813839923 /nfs/dbraw/zinc/83/99/23/813839923.db2.gz CMEWTXMQVPPLFH-LLVKDONJSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364621 813840891 /nfs/dbraw/zinc/84/08/91/813840891.db2.gz YOALWYKYQMTHEQ-JSGCOSHPSA-N 2 1 299.415 -0.284 20 0 CBADMP O=C(NCC[NH2+]CCCO)[C@H]1CCCc2[nH+]ccn21 ZINC001129430705 813841694 /nfs/dbraw/zinc/84/16/94/813841694.db2.gz WCUOGYBIIMWTOW-LLVKDONJSA-N 2 1 266.345 -0.151 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)nn1 ZINC001129443028 813846421 /nfs/dbraw/zinc/84/64/21/813846421.db2.gz GUVGDQXHBCFSGX-ZDUSSCGKSA-N 2 1 294.403 -0.156 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001129532163 813848662 /nfs/dbraw/zinc/84/86/62/813848662.db2.gz SYKQKTLDGPFBMI-LLVKDONJSA-N 2 1 268.361 -0.935 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)c1nnnn1C ZINC001129532148 813849793 /nfs/dbraw/zinc/84/97/93/813849793.db2.gz SHTAEJIFQZRYLG-JTQLQIEISA-N 2 1 295.391 -0.539 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)c1nnnn1C ZINC001129532148 813849802 /nfs/dbraw/zinc/84/98/02/813849802.db2.gz SHTAEJIFQZRYLG-JTQLQIEISA-N 2 1 295.391 -0.539 20 0 CBADMP CCN1CC[C@H]([NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001129531626 813850634 /nfs/dbraw/zinc/85/06/34/813850634.db2.gz CHPJNXLQMLDENT-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001129535402 813851175 /nfs/dbraw/zinc/85/11/75/813851175.db2.gz PWLJXPODUIHGGN-NSHDSACASA-N 2 1 270.377 -0.560 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129856405 813870687 /nfs/dbraw/zinc/87/06/87/813870687.db2.gz QGGRKSQNHQMMPE-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129856405 813870697 /nfs/dbraw/zinc/87/06/97/813870697.db2.gz QGGRKSQNHQMMPE-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001129839951 813870760 /nfs/dbraw/zinc/87/07/60/813870760.db2.gz CLEPXVCPQQIMAM-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001129854976 813871031 /nfs/dbraw/zinc/87/10/31/813871031.db2.gz AQIZYGLXUVNGMT-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(N)=O ZINC001129856663 813871910 /nfs/dbraw/zinc/87/19/10/813871910.db2.gz VJAKMCWHSULPOY-SNVBAGLBSA-N 2 1 256.350 -0.948 20 0 CBADMP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182457 813914638 /nfs/dbraw/zinc/91/46/38/813914638.db2.gz IYGAYTDSEYMOKC-JHJVBQTASA-N 2 1 287.404 -0.428 20 0 CBADMP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182457 813914643 /nfs/dbraw/zinc/91/46/43/813914643.db2.gz IYGAYTDSEYMOKC-JHJVBQTASA-N 2 1 287.404 -0.428 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186285 813915563 /nfs/dbraw/zinc/91/55/63/813915563.db2.gz FCYCBGGTARPQLU-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[C@H](C(=O)NCC[NH2+]Cc1ncnn1CC)[NH+](C)C ZINC001130197939 813916797 /nfs/dbraw/zinc/91/67/97/813916797.db2.gz RVRUSHLLQUZIEK-LLVKDONJSA-N 2 1 282.392 -0.156 20 0 CBADMP CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1nnnn1C)[NH+](C)C ZINC001130203850 813917827 /nfs/dbraw/zinc/91/78/27/813917827.db2.gz ZJVMGXFBJWIQCG-VHSXEESVSA-N 2 1 283.380 -0.683 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC)C(N)=O ZINC001130427595 813937936 /nfs/dbraw/zinc/93/79/36/813937936.db2.gz NVWWZSNYKPBROI-JTQLQIEISA-N 2 1 272.393 -0.314 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130297506 813924076 /nfs/dbraw/zinc/92/40/76/813924076.db2.gz NLQNSCGUJDDZMY-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001130299717 813924311 /nfs/dbraw/zinc/92/43/11/813924311.db2.gz BDAKIXUQAOQNLZ-LBPRGKRZSA-N 2 1 273.377 -0.815 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130297645 813924972 /nfs/dbraw/zinc/92/49/72/813924972.db2.gz OELMTMLXJOLMEQ-ZDUSSCGKSA-N 2 1 294.403 -0.012 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001130297731 813925296 /nfs/dbraw/zinc/92/52/96/813925296.db2.gz QGUNAUAKWSYZEY-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ncnn1C ZINC001130419223 813938555 /nfs/dbraw/zinc/93/85/55/813938555.db2.gz PWMSNYNCHPPHAI-UHFFFAOYSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ncnn1C ZINC001130419223 813938560 /nfs/dbraw/zinc/93/85/60/813938560.db2.gz PWMSNYNCHPPHAI-UHFFFAOYSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001130421766 813938899 /nfs/dbraw/zinc/93/88/99/813938899.db2.gz IVZWUWYXFZGSTF-SECBINFHSA-N 2 1 258.366 -0.704 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)COC ZINC001130425423 813939451 /nfs/dbraw/zinc/93/94/51/813939451.db2.gz YOJIUMYGFJGLJT-NSHDSACASA-N 2 1 275.393 -0.570 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130419332 813939833 /nfs/dbraw/zinc/93/98/33/813939833.db2.gz VSAGIOBUODDUJV-UHFFFAOYSA-N 2 1 286.420 -0.099 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NCC[NH2+]CCO)no1 ZINC001130648998 813959051 /nfs/dbraw/zinc/95/90/51/813959051.db2.gz ZBMDBKQTUWFKDQ-UHFFFAOYSA-N 2 1 256.306 -0.952 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001130709211 813968587 /nfs/dbraw/zinc/96/85/87/813968587.db2.gz XFYAMXSYHANVFI-NEPJUHHUSA-N 2 1 284.404 -0.314 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130711636 813968716 /nfs/dbraw/zinc/96/87/16/813968716.db2.gz YQIQFSKBWLMXFC-LBPRGKRZSA-N 2 1 284.404 -0.441 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001131376874 814024684 /nfs/dbraw/zinc/02/46/84/814024684.db2.gz ANFIUVZYXWCDRD-UHFFFAOYSA-N 2 1 276.344 -0.169 20 0 CBADMP COC[C@@H](C)[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131387334 814026911 /nfs/dbraw/zinc/02/69/11/814026911.db2.gz LPAWPLNTPVVRQP-SNVBAGLBSA-N 2 1 254.334 -0.068 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001131387410 814027348 /nfs/dbraw/zinc/02/73/48/814027348.db2.gz ODZYHLMQVOUODH-LLVKDONJSA-N 2 1 279.344 -0.872 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1ccnn1C ZINC001131380665 814027982 /nfs/dbraw/zinc/02/79/82/814027982.db2.gz VWYRTBIGCKQYJR-UHFFFAOYSA-N 2 1 276.344 -0.169 20 0 CBADMP CC(C)[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381607 814028014 /nfs/dbraw/zinc/02/80/14/814028014.db2.gz UJBJWMPYUDSVDQ-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCOCC[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131387390 814028289 /nfs/dbraw/zinc/02/82/89/814028289.db2.gz NOGXZUPQQJAPCT-UHFFFAOYSA-N 2 1 254.334 -0.066 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2)C(N)=O ZINC001131424145 814031880 /nfs/dbraw/zinc/03/18/80/814031880.db2.gz JSQDTWQGLLIISL-SNVBAGLBSA-N 2 1 293.371 -0.659 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519838 814037958 /nfs/dbraw/zinc/03/79/58/814037958.db2.gz KSIKRETXGZMBBH-OWYJLGKBSA-N 2 1 297.399 -0.408 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132273364 814120852 /nfs/dbraw/zinc/12/08/52/814120852.db2.gz FMVAJGNFOXTZII-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132273364 814120855 /nfs/dbraw/zinc/12/08/55/814120855.db2.gz FMVAJGNFOXTZII-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC(N)=O ZINC001132274697 814120970 /nfs/dbraw/zinc/12/09/70/814120970.db2.gz YLEVEEQCFXSNLH-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC(N)=O ZINC001132274697 814120974 /nfs/dbraw/zinc/12/09/74/814120974.db2.gz YLEVEEQCFXSNLH-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](C)O)C1 ZINC001132848351 814193549 /nfs/dbraw/zinc/19/35/49/814193549.db2.gz GBYSEKSPLNQVMZ-RYUDHWBXSA-N 2 1 273.377 -0.818 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCO)C1 ZINC001132848396 814194316 /nfs/dbraw/zinc/19/43/16/814194316.db2.gz HHHIHWAFFHVVJM-LBPRGKRZSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001132886156 814197269 /nfs/dbraw/zinc/19/72/69/814197269.db2.gz DJVRPMPPJHAXBH-RWMBFGLXSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001132886144 814197285 /nfs/dbraw/zinc/19/72/85/814197285.db2.gz DHXWENAJJPAJJH-AXFHLTTASA-N 2 1 270.377 -0.704 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001132886145 814197872 /nfs/dbraw/zinc/19/78/72/814197872.db2.gz DHXWENAJJPAJJH-DCAQKATOSA-N 2 1 270.377 -0.704 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993261 814206759 /nfs/dbraw/zinc/20/67/59/814206759.db2.gz QHUZTYJAMQAOEU-UHFFFAOYSA-N 2 1 294.403 -0.154 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993237 814207116 /nfs/dbraw/zinc/20/71/16/814207116.db2.gz PBQKJZNAPWWBNM-UHFFFAOYSA-N 2 1 280.376 -0.637 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)CC2 ZINC001133001200 814208631 /nfs/dbraw/zinc/20/86/31/814208631.db2.gz VITPPYNXSDDPKT-ONGXEEELSA-N 2 1 293.371 -0.666 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)c1nnnn1C ZINC001133043395 814212846 /nfs/dbraw/zinc/21/28/46/814212846.db2.gz XBSVEJUXRIKABK-SNVBAGLBSA-N 2 1 283.380 -0.681 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)[nH]1 ZINC001133287902 814235410 /nfs/dbraw/zinc/23/54/10/814235410.db2.gz PLCIXTXLLCSNHZ-UHFFFAOYSA-N 2 1 280.376 -0.339 20 0 CBADMP CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)c1nnnn1C)[NH+](C)C ZINC001133418992 814251986 /nfs/dbraw/zinc/25/19/86/814251986.db2.gz HRWQMJYMFYZEEU-WDEREUQCSA-N 2 1 297.407 -0.437 20 0 CBADMP CC[C@@H](C(=O)NCC[NH2+]Cc1nnnn1C)[NH+](CC)CC ZINC001133684599 814287423 /nfs/dbraw/zinc/28/74/23/814287423.db2.gz KJPBBPWBBFRAFY-NSHDSACASA-N 2 1 297.407 -0.464 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133819368 814301034 /nfs/dbraw/zinc/30/10/34/814301034.db2.gz AAWHSSVDRPUVJH-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001133824010 814301599 /nfs/dbraw/zinc/30/15/99/814301599.db2.gz VVFPXGWKOSUSTR-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCn1cncn1 ZINC001133823908 814303329 /nfs/dbraw/zinc/30/33/29/814303329.db2.gz SARIAJCXQVHGPI-LBPRGKRZSA-N 2 1 280.376 -0.532 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001133845554 814309140 /nfs/dbraw/zinc/30/91/40/814309140.db2.gz INBYRSHANBVSGN-GFCCVEGCSA-N 2 1 296.415 -0.440 20 0 CBADMP CCN1CC[C@H]([NH2+]CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001133845689 814309551 /nfs/dbraw/zinc/30/95/51/814309551.db2.gz LRVYXRJATQOIGB-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845651 814309665 /nfs/dbraw/zinc/30/96/65/814309665.db2.gz KQOGTPXZEUIFJH-LBPRGKRZSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnns1 ZINC001133862292 814311322 /nfs/dbraw/zinc/31/13/22/814311322.db2.gz CAIFLTSHEQWWAF-MWLCHTKSSA-N 2 1 283.401 -0.058 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnns1 ZINC001133862292 814311328 /nfs/dbraw/zinc/31/13/28/814311328.db2.gz CAIFLTSHEQWWAF-MWLCHTKSSA-N 2 1 283.401 -0.058 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[NH2+]CCO)C2 ZINC001133865254 814312626 /nfs/dbraw/zinc/31/26/26/814312626.db2.gz BJQKYHQEVKYITD-LLVKDONJSA-N 2 1 266.345 -0.548 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)nn1 ZINC001133864269 814313652 /nfs/dbraw/zinc/31/36/52/814313652.db2.gz YEYPFGIWSQUKRL-WCQYABFASA-N 2 1 294.403 -0.299 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)nn1 ZINC001133864269 814313662 /nfs/dbraw/zinc/31/36/62/814313662.db2.gz YEYPFGIWSQUKRL-WCQYABFASA-N 2 1 294.403 -0.299 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001133869493 814314485 /nfs/dbraw/zinc/31/44/85/814314485.db2.gz FFPSEFZECMXRCV-CMPLNLGQSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001133869493 814314492 /nfs/dbraw/zinc/31/44/92/814314492.db2.gz FFPSEFZECMXRCV-CMPLNLGQSA-N 2 1 280.376 -0.781 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)nn1 ZINC001133864268 814314774 /nfs/dbraw/zinc/31/47/74/814314774.db2.gz YEYPFGIWSQUKRL-DGCLKSJQSA-N 2 1 294.403 -0.299 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)nn1 ZINC001133864268 814314781 /nfs/dbraw/zinc/31/47/81/814314781.db2.gz YEYPFGIWSQUKRL-DGCLKSJQSA-N 2 1 294.403 -0.299 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133869277 814315173 /nfs/dbraw/zinc/31/51/73/814315173.db2.gz CIFXSGNEBGSRIS-CHWSQXEVSA-N 2 1 298.431 -0.243 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccnn1C ZINC001133866693 814315400 /nfs/dbraw/zinc/31/54/00/814315400.db2.gz NRUSULWCEQVJHR-YPMHNXCESA-N 2 1 279.388 -0.176 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001133871234 814317159 /nfs/dbraw/zinc/31/71/59/814317159.db2.gz ZEMXMBCKULGBIA-DGCLKSJQSA-N 2 1 279.388 -0.176 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001133871234 814317167 /nfs/dbraw/zinc/31/71/67/814317167.db2.gz ZEMXMBCKULGBIA-DGCLKSJQSA-N 2 1 279.388 -0.176 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133870145 814317702 /nfs/dbraw/zinc/31/77/02/814317702.db2.gz QPZPZCMCTCWMRG-NWDGAFQWSA-N 2 1 284.404 -0.586 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133870147 814318475 /nfs/dbraw/zinc/31/84/75/814318475.db2.gz QPZPZCMCTCWMRG-VXGBXAGGSA-N 2 1 284.404 -0.586 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[NH2+]C[C@@H](C)O)C2 ZINC001133872825 814318622 /nfs/dbraw/zinc/31/86/22/814318622.db2.gz CUEZDJSJUBNXFM-ZYHUDNBSSA-N 2 1 280.372 -0.159 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001133869715 814318641 /nfs/dbraw/zinc/31/86/41/814318641.db2.gz JYGWSQFBPOWYGF-ZYHUDNBSSA-N 2 1 282.388 -0.832 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133870150 814318821 /nfs/dbraw/zinc/31/88/21/814318821.db2.gz QQJVFFQQVUNCPB-QWRGUYRKSA-N 2 1 270.377 -0.974 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+]CCOCCO)CC(C)(C)C ZINC001133905788 814322044 /nfs/dbraw/zinc/32/20/44/814322044.db2.gz HCXFWFOKRUEAQD-UHFFFAOYSA-N 2 1 289.420 -0.321 20 0 CBADMP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1nnnn1C)[NH+](C)C ZINC001133966246 814331271 /nfs/dbraw/zinc/33/12/71/814331271.db2.gz ZJVMGXFBJWIQCG-UWVGGRQHSA-N 2 1 283.380 -0.683 20 0 CBADMP O=C(NCC[NH2+]CCOCCO)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135095680 814437478 /nfs/dbraw/zinc/43/74/78/814437478.db2.gz NRFAORRSGDXSRJ-ZIAGYGMSSA-N 2 1 299.415 -0.282 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135095229 814437765 /nfs/dbraw/zinc/43/77/65/814437765.db2.gz BIXJDKPBISYWQE-GHMZBOCLSA-N 2 1 268.361 -0.806 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135092648 814437955 /nfs/dbraw/zinc/43/79/55/814437955.db2.gz AIDKBLTYCISVNF-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP O=C(CCCC[NH+]1CCOCC1)NCC[NH2+]CCO ZINC001135325890 814461893 /nfs/dbraw/zinc/46/18/93/814461893.db2.gz KAZHXDZXXZYULU-UHFFFAOYSA-N 2 1 273.377 -0.813 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CCn1cccn1 ZINC001135341138 814465209 /nfs/dbraw/zinc/46/52/09/814465209.db2.gz OLNUTMYNKNFADI-UHFFFAOYSA-N 2 1 295.387 -0.689 20 0 CBADMP C[C@H](C[C@@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)CC[NH+](C)C ZINC001135373578 814469844 /nfs/dbraw/zinc/46/98/44/814469844.db2.gz XDIHPYVOACMEBS-GHMZBOCLSA-N 2 1 297.407 -0.465 20 0 CBADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC(N)=O ZINC001135436973 814476061 /nfs/dbraw/zinc/47/60/61/814476061.db2.gz IKHOKSRJJXJEIM-UHFFFAOYSA-N 2 1 272.393 -0.310 20 0 CBADMP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156512 815611886 /nfs/dbraw/zinc/61/18/86/815611886.db2.gz QQNVJVHVFNEPLF-MJBXVCDLSA-N 3 1 296.415 -0.626 20 0 CBADMP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001160156512 815611889 /nfs/dbraw/zinc/61/18/89/815611889.db2.gz QQNVJVHVFNEPLF-MJBXVCDLSA-N 2 1 296.415 -0.626 20 0 CBADMP CCOC(=O)C1=C(O)CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001160427760 815618845 /nfs/dbraw/zinc/61/88/45/815618845.db2.gz NZHAXVGOHMAMKD-ZJUUUORDSA-N 2 1 285.344 -0.967 20 0 CBADMP CC(=O)N1CCCC[C@@]12CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001160424595 815619183 /nfs/dbraw/zinc/61/91/83/815619183.db2.gz XJAWJOUHYASTJR-JSGCOSHPSA-N 2 1 282.388 -0.334 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001135975737 814542435 /nfs/dbraw/zinc/54/24/35/814542435.db2.gz BNZQDOZMPZJZEG-VXGBXAGGSA-N 2 1 286.420 -0.053 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001135975736 814543431 /nfs/dbraw/zinc/54/34/31/814543431.db2.gz BNZQDOZMPZJZEG-RYUDHWBXSA-N 2 1 286.420 -0.053 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001141196524 814649797 /nfs/dbraw/zinc/64/97/97/814649797.db2.gz FZCIHWPEXWHBSR-NRWUCQMLSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)C[C@@H]21 ZINC001141196524 814649805 /nfs/dbraw/zinc/64/98/05/814649805.db2.gz FZCIHWPEXWHBSR-NRWUCQMLSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)C[C@@H]21 ZINC001141196524 814649812 /nfs/dbraw/zinc/64/98/12/814649812.db2.gz FZCIHWPEXWHBSR-NRWUCQMLSA-N 2 1 267.373 -0.396 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC001141653980 814663316 /nfs/dbraw/zinc/66/33/16/814663316.db2.gz LUKVCSXQAOGJTO-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP COC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001159624094 815582706 /nfs/dbraw/zinc/58/27/06/815582706.db2.gz HOBIOPZPZVSFME-SCRDCRAPSA-N 2 1 285.388 -0.293 20 0 CBADMP CN1CC[NH+](CCC(=O)N2CCOC[C@@H]2C[NH+](C)C)CC1 ZINC001143231689 814764842 /nfs/dbraw/zinc/76/48/42/814764842.db2.gz PNCNBZSDMVYKLC-AWEZNQCLSA-N 2 1 298.431 -0.587 20 0 CBADMP CN(CC(=O)N1C[C@H]2[C@H](C1)CCC[N@H+]2C)C(N)=[NH2+] ZINC001144136930 814773445 /nfs/dbraw/zinc/77/34/45/814773445.db2.gz MRIQUGULJVDFGD-UWVGGRQHSA-N 2 1 253.350 -0.636 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001146711369 814844143 /nfs/dbraw/zinc/84/41/43/814844143.db2.gz RBTMUJZFRIOXNC-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001146710761 814844156 /nfs/dbraw/zinc/84/41/56/814844156.db2.gz MWLQWQBQCZWCQV-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)CC[N@@H+](C)CC)C(N)=O ZINC001146710205 814844417 /nfs/dbraw/zinc/84/44/17/814844417.db2.gz FOANXUVRWDBUHB-SNVBAGLBSA-N 2 1 258.366 -0.702 20 0 CBADMP CCc1nnc(C[NH2+]CCNC(=O)CC[N@@H+](C)CC)n1C ZINC001146719997 814845066 /nfs/dbraw/zinc/84/50/66/814845066.db2.gz ZXRPPWDUMYCLNX-UHFFFAOYSA-N 2 1 296.419 -0.075 20 0 CBADMP CCc1nnc(C[NH2+]CCNC(=O)CC[N@H+](C)CC)n1C ZINC001146719997 814845069 /nfs/dbraw/zinc/84/50/69/814845069.db2.gz ZXRPPWDUMYCLNX-UHFFFAOYSA-N 2 1 296.419 -0.075 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCn1cncn1 ZINC001146711870 814845222 /nfs/dbraw/zinc/84/52/22/814845222.db2.gz YLPVYTRBOQPMCK-UHFFFAOYSA-N 2 1 268.365 -0.674 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1ncnn1C ZINC001146718908 814845748 /nfs/dbraw/zinc/84/57/48/814845748.db2.gz KTSNOGFFZWSRGQ-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ncnn1C ZINC001146718908 814845754 /nfs/dbraw/zinc/84/57/54/814845754.db2.gz KTSNOGFFZWSRGQ-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001147877408 814921952 /nfs/dbraw/zinc/92/19/52/814921952.db2.gz JGBVURUPVQFEEY-CYBMUJFWSA-N 2 1 296.415 -0.440 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878246 814921998 /nfs/dbraw/zinc/92/19/98/814921998.db2.gz WJRYYRKCWHMUCM-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878246 814922002 /nfs/dbraw/zinc/92/20/02/814922002.db2.gz WJRYYRKCWHMUCM-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878147 814922026 /nfs/dbraw/zinc/92/20/26/814922026.db2.gz UICGQXJIGMJNAK-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878147 814922027 /nfs/dbraw/zinc/92/20/27/814922027.db2.gz UICGQXJIGMJNAK-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1cnns1 ZINC001147884592 814922299 /nfs/dbraw/zinc/92/22/99/814922299.db2.gz GHSUUHSZURKCKP-UHFFFAOYSA-N 2 1 287.389 -0.678 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001147885466 814922398 /nfs/dbraw/zinc/92/23/98/814922398.db2.gz MJLBRLMKCCKLKQ-RYUDHWBXSA-N 2 1 282.388 -0.687 20 0 CBADMP Cn1cc(CNCCNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001147885804 814922756 /nfs/dbraw/zinc/92/27/56/814922756.db2.gz PEPXGINGSSXPQK-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)nn1 ZINC001147885804 814922760 /nfs/dbraw/zinc/92/27/60/814922760.db2.gz PEPXGINGSSXPQK-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001147885804 814922762 /nfs/dbraw/zinc/92/27/62/814922762.db2.gz PEPXGINGSSXPQK-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP Cn1cc(CNCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001147885806 814922772 /nfs/dbraw/zinc/92/27/72/814922772.db2.gz PEPXGINGSSXPQK-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)nn1 ZINC001147885806 814922778 /nfs/dbraw/zinc/92/27/78/814922778.db2.gz PEPXGINGSSXPQK-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001147885806 814922781 /nfs/dbraw/zinc/92/27/81/814922781.db2.gz PEPXGINGSSXPQK-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878220 814922975 /nfs/dbraw/zinc/92/29/75/814922975.db2.gz VKYXNELTLASSHE-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877604 814923221 /nfs/dbraw/zinc/92/32/21/814923221.db2.gz MLEVMGONERBTMU-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877956 814923405 /nfs/dbraw/zinc/92/34/05/814923405.db2.gz QJFYDFBZGXFBND-LBPRGKRZSA-N 2 1 284.404 -0.440 20 0 CBADMP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156160 815609972 /nfs/dbraw/zinc/60/99/72/815609972.db2.gz ODIHWVGORMSQED-FQUUOJAGSA-N 2 1 295.383 -0.969 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N(CCO)Cc1cccs1 ZINC001160443023 815621934 /nfs/dbraw/zinc/62/19/34/815621934.db2.gz AFXIDIQCSKXIGK-JTQLQIEISA-N 2 1 257.359 -0.255 20 0 CBADMP [NH3+]C[C@@]1(Nc2ncc3c(n2)CNC3)CN2CCC1CC2 ZINC001160513127 815632390 /nfs/dbraw/zinc/63/23/90/815632390.db2.gz KJKFEIPUCLKZQX-CQSZACIVSA-N 3 1 274.372 -0.085 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCCC12COC2 ZINC001160541594 815636008 /nfs/dbraw/zinc/63/60/08/815636008.db2.gz DIDYSXPSIBKCMS-UHFFFAOYSA-N 2 1 253.346 -0.281 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)CC2)c1 ZINC001160606644 815644700 /nfs/dbraw/zinc/64/47/00/815644700.db2.gz ZUPSEGGJEYBCLC-JSGCOSHPSA-N 2 1 290.367 -0.239 20 0 CBADMP [NH3+]Cc1ncc(C(=O)N2CCO[C@@H](C[NH3+])C2)s1 ZINC001160644541 815650580 /nfs/dbraw/zinc/65/05/80/815650580.db2.gz GFUPZKPKGLOTBZ-ZETCQYMHSA-N 2 1 256.331 -0.599 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647257 815652117 /nfs/dbraw/zinc/65/21/17/815652117.db2.gz CZOVYFAMCGARGT-GFCCVEGCSA-N 2 1 280.372 -0.839 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160687829 815657567 /nfs/dbraw/zinc/65/75/67/815657567.db2.gz JFWBEUAHRBOTFD-CQSZACIVSA-N 3 1 297.447 -0.709 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C[C@H]2C1 ZINC001160703880 815660474 /nfs/dbraw/zinc/66/04/74/815660474.db2.gz GQZBQFCTXSHNDS-RYDOPVQFSA-N 2 1 273.402 -0.898 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@H]2C1 ZINC001160704523 815660721 /nfs/dbraw/zinc/66/07/21/815660721.db2.gz LIMNQBMDMQBKNF-AXFHLTTASA-N 3 1 272.418 -0.974 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]([NH3+])Cc3cnc[nH]3)C[C@H]2C1 ZINC001160704896 815662345 /nfs/dbraw/zinc/66/23/45/815662345.db2.gz QHUQROXNCPHACU-JFGNBEQYSA-N 2 1 263.345 -0.701 20 0 CBADMP C[N@H+]1C[C@H]2CN(C(=O)[C@H]([NH3+])Cc3c[nH]cn3)C[C@H]2C1 ZINC001160704896 815662351 /nfs/dbraw/zinc/66/23/51/815662351.db2.gz QHUQROXNCPHACU-JFGNBEQYSA-N 2 1 263.345 -0.701 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]([NH3+])Cc3c[nH]cn3)C[C@H]2C1 ZINC001160704896 815662354 /nfs/dbraw/zinc/66/23/54/815662354.db2.gz QHUQROXNCPHACU-JFGNBEQYSA-N 2 1 263.345 -0.701 20 0 CBADMP COC(=O)[C@H](C)N(C)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160718884 815663476 /nfs/dbraw/zinc/66/34/76/815663476.db2.gz WLGZHDMLHCEXDF-VIFPVBQESA-N 2 1 257.334 -0.652 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC001160754322 815667019 /nfs/dbraw/zinc/66/70/19/815667019.db2.gz IGINQQYOOPNTFX-KGLIPLIRSA-N 2 1 293.367 -0.031 20 0 CBADMP COC(=O)C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C1 ZINC001160831991 815674582 /nfs/dbraw/zinc/67/45/82/815674582.db2.gz APPPLBROOOVQMC-ZJUUUORDSA-N 2 1 257.334 -0.536 20 0 CBADMP CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001160825102 815674897 /nfs/dbraw/zinc/67/48/97/815674897.db2.gz UPTVNIRRTOMHSY-QMMMGPOBSA-N 2 1 296.327 -0.588 20 0 CBADMP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(c2cnc[nH]2)CC1 ZINC001160845691 815677776 /nfs/dbraw/zinc/67/77/76/815677776.db2.gz FVBKKEJSLMFDFU-GFCCVEGCSA-N 2 1 289.383 -0.075 20 0 CBADMP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160851052 815681337 /nfs/dbraw/zinc/68/13/37/815681337.db2.gz OEYKCNLKBYEYLK-IJLUTSLNSA-N 2 1 273.377 -0.818 20 0 CBADMP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160851052 815681341 /nfs/dbraw/zinc/68/13/41/815681341.db2.gz OEYKCNLKBYEYLK-IJLUTSLNSA-N 2 1 273.377 -0.818 20 0 CBADMP COc1cc[nH+]c(NCCN2CC[NH2+]CC2=O)c1 ZINC001161019733 815698593 /nfs/dbraw/zinc/69/85/93/815698593.db2.gz RTHZRNNIBZBLHI-UHFFFAOYSA-N 2 1 250.302 -0.066 20 0 CBADMP O=C1C[NH2+]CCN1CCNc1cc(C2C[NH2+]C2)ncn1 ZINC001161025304 815699764 /nfs/dbraw/zinc/69/97/64/815699764.db2.gz QYKFJSRKWGJXLQ-UHFFFAOYSA-N 2 1 276.344 -0.993 20 0 CBADMP Cn1cnnc1C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161042745 815703441 /nfs/dbraw/zinc/70/34/41/815703441.db2.gz UKZVQHODQNHWEP-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161043168 815704135 /nfs/dbraw/zinc/70/41/35/815704135.db2.gz YOCZKJODTXCIKE-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161043171 815704154 /nfs/dbraw/zinc/70/41/54/815704154.db2.gz YOCZKJODTXCIKE-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001161042135 815704213 /nfs/dbraw/zinc/70/42/13/815704213.db2.gz OVRWXODLZYFZIS-CYBMUJFWSA-N 2 1 296.415 -0.155 20 0 CBADMP Cn1ncnc1C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161041673 815704311 /nfs/dbraw/zinc/70/43/11/815704311.db2.gz LAALNJONJHJORV-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161050473 815705424 /nfs/dbraw/zinc/70/54/24/815705424.db2.gz NPCNJUKMMVWFNY-CHWSQXEVSA-N 3 1 280.416 -0.264 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)C[C@H]21 ZINC001161081633 815708883 /nfs/dbraw/zinc/70/88/83/815708883.db2.gz LDKYGKXGRXBHBC-MCIONIFRSA-N 3 1 280.416 -0.134 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C[C@H]21 ZINC001161081417 815709104 /nfs/dbraw/zinc/70/91/04/815709104.db2.gz JOIWSQSUSRNVCF-KKOKHZNYSA-N 2 1 253.346 -0.881 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@H]21 ZINC001161081027 815709298 /nfs/dbraw/zinc/70/92/98/815709298.db2.gz CJYBHJABNMPZCX-FIQHERPVSA-N 2 1 252.362 -0.914 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@]3(N)CC[NH2+]C3)C[C@H]21 ZINC001161080984 815709496 /nfs/dbraw/zinc/70/94/96/815709496.db2.gz AQCWLWTVBRHWDR-WZRBSPASSA-N 2 1 252.362 -0.770 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3cnc[nH]3)C[C@H]21 ZINC001161081351 815709615 /nfs/dbraw/zinc/70/96/15/815709615.db2.gz ITJSUPIDGDNUIN-RAIGVLPGSA-N 2 1 277.372 -0.168 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C[C@H]21 ZINC001161082408 815711814 /nfs/dbraw/zinc/71/18/14/815711814.db2.gz ORGMIPDSCRQSOY-IJLUTSLNSA-N 2 1 297.403 -0.685 20 0 CBADMP Nc1cc(NCCN(CC[NH3+])N(O)N=O)nc[nH+]1 ZINC001161095824 815714250 /nfs/dbraw/zinc/71/42/50/815714250.db2.gz LHAHKLADOQSYMB-UHFFFAOYSA-N 2 1 256.270 -0.981 20 0 CBADMP CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1C[NH+](C)C1 ZINC001161138148 815720897 /nfs/dbraw/zinc/72/08/97/815720897.db2.gz OBNKFTZLNUYUDF-NSHDSACASA-N 3 1 256.394 -0.005 20 0 CBADMP CC(C)(O)CC[NH+]1CCN(C(=O)[C@@]2(N)CCC[NH2+]C2)CC1 ZINC001161175915 815724805 /nfs/dbraw/zinc/72/48/05/815724805.db2.gz PKFSWHIFLPPXNA-OAHLLOKOSA-N 2 1 298.431 -0.628 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@H]2C1 ZINC001161175279 815725073 /nfs/dbraw/zinc/72/50/73/815725073.db2.gz KEWCUYOHSACMRZ-FRRDWIJNSA-N 3 1 268.405 -0.147 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C[C@H]2C1 ZINC001161174718 815725111 /nfs/dbraw/zinc/72/51/11/815725111.db2.gz DAKOCCCANANCRC-XQHKEYJVSA-N 2 1 267.373 -0.633 20 0 CBADMP CC(C)(O)CC[NH+]1CCN(C(=O)[C@]2(N)CCC[NH2+]C2)CC1 ZINC001161175914 815725121 /nfs/dbraw/zinc/72/51/21/815725121.db2.gz PKFSWHIFLPPXNA-HNNXBMFYSA-N 2 1 298.431 -0.628 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@H]2C1 ZINC001161176021 815725172 /nfs/dbraw/zinc/72/51/72/815725172.db2.gz QULZIFOLUOLTAQ-XQQFMLRXSA-N 2 1 266.389 -0.652 20 0 CBADMP CC(C)(O)CC[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]2)CC1 ZINC001161175876 815725209 /nfs/dbraw/zinc/72/52/09/815725209.db2.gz OXMWQDMQDPVYLN-NSHDSACASA-N 2 1 255.362 -0.347 20 0 CBADMP [NH3+]C1(C(=O)N2CCC(C3CC[NH2+]CC3)CC2)COC1 ZINC001161208452 815727745 /nfs/dbraw/zinc/72/77/45/815727745.db2.gz SHXSLXRLWBMQLF-UHFFFAOYSA-N 2 1 267.373 -0.048 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)C(=O)NC ZINC001161226978 815729824 /nfs/dbraw/zinc/72/98/24/815729824.db2.gz SBQTWDYSYWYOKB-LLVKDONJSA-N 2 1 286.420 -0.053 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]C[C@H](O)COC ZINC001161226641 815730093 /nfs/dbraw/zinc/73/00/93/815730093.db2.gz MELJXUUZCSUTAJ-LBPRGKRZSA-N 2 1 289.420 -0.180 20 0 CBADMP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001161239607 815734200 /nfs/dbraw/zinc/73/42/00/815734200.db2.gz NJRUWYNTUAAFIJ-ONGXEEELSA-N 2 1 255.297 -0.821 20 0 CBADMP [NH3+]C[C@@]1(F)CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001161239623 815734295 /nfs/dbraw/zinc/73/42/95/815734295.db2.gz NVOWPUAOOMSDPH-LBPRGKRZSA-N 3 1 258.341 -0.773 20 0 CBADMP Cc1cc(O[C@@H]2CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2)ncn1 ZINC001161308559 815737982 /nfs/dbraw/zinc/73/79/82/815737982.db2.gz DDZCERPILFWDJT-NEPJUHHUSA-N 2 1 293.371 -0.169 20 0 CBADMP CCN(C(=O)[C@@]1(C)COCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161329539 815741072 /nfs/dbraw/zinc/74/10/72/815741072.db2.gz FHCJKKUJCSTOAA-WCQYABFASA-N 2 1 255.362 -0.035 20 0 CBADMP CCN(C(=O)C[NH2+]C1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001161333626 815742689 /nfs/dbraw/zinc/74/26/89/815742689.db2.gz VKWANRLMANTJTE-ZDUSSCGKSA-N 3 1 268.405 -0.072 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(C(C)C)[C@H]1CC[NH2+]C1 ZINC001161350998 815745694 /nfs/dbraw/zinc/74/56/94/815745694.db2.gz FVXAFEOTQPFTAB-QWRGUYRKSA-N 2 1 271.361 -0.134 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161414665 815752616 /nfs/dbraw/zinc/75/26/16/815752616.db2.gz YJTDMUKZASKOGS-MMWGEVLESA-N 2 1 269.345 -0.537 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161420015 815754676 /nfs/dbraw/zinc/75/46/76/815754676.db2.gz CEEPQWYZWIMQGX-ZJUUUORDSA-N 2 1 255.318 -0.817 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161420015 815754679 /nfs/dbraw/zinc/75/46/79/815754679.db2.gz CEEPQWYZWIMQGX-ZJUUUORDSA-N 2 1 255.318 -0.817 20 0 CBADMP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161420292 815754728 /nfs/dbraw/zinc/75/47/28/815754728.db2.gz FRVRELWOQBKRPW-PWSUYJOCSA-N 2 1 263.345 -0.794 20 0 CBADMP C[NH+](C)CCN(C(=O)[C@@H]1CSC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161442528 815755854 /nfs/dbraw/zinc/75/58/54/815755854.db2.gz CMFSJGGSDAMBAW-RYUDHWBXSA-N 3 1 286.445 -0.209 20 0 CBADMP C[NH+](C)CCN(C(=O)[C@@H]1[NH2+]CCS1)[C@@H]1CCC[NH2+]C1 ZINC001161444218 815756059 /nfs/dbraw/zinc/75/60/59/815756059.db2.gz FNXUPDWUSMPDQA-VXGBXAGGSA-N 3 1 286.445 -0.209 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)C[C@@H]1C ZINC001161459840 815757712 /nfs/dbraw/zinc/75/77/12/815757712.db2.gz WWKOICXNGUNALZ-JQWIXIFHSA-N 2 1 283.372 -0.405 20 0 CBADMP C[C@]1(C[NH3+])CCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C1 ZINC001161489423 815759717 /nfs/dbraw/zinc/75/97/17/815759717.db2.gz MUJFAYUQOSAQPP-OXHZDVMGSA-N 2 1 266.389 -0.204 20 0 CBADMP CN1C(=O)CC[C@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC[C@H]21 ZINC001161483316 815760165 /nfs/dbraw/zinc/76/01/65/815760165.db2.gz LJUKERCOLGIBGB-GARJFASQSA-N 2 1 268.361 -0.868 20 0 CBADMP C[C@@]1(C[NH3+])CCCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001161489489 815761097 /nfs/dbraw/zinc/76/10/97/815761097.db2.gz UAIWLLARHKGPCO-HIFRSBDPSA-N 2 1 297.447 -0.676 20 0 CBADMP C[N@@H+](C1CN(C(=O)C2CC3(C[NH2+]C3)C2)C1)[C@H]1CCOC1 ZINC001161499420 815762444 /nfs/dbraw/zinc/76/24/44/815762444.db2.gz OFZVYVGLOQZCHX-LBPRGKRZSA-N 2 1 279.384 -0.083 20 0 CBADMP C[N@@H+](C1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1)[C@H]1CCOC1 ZINC001161498049 815763286 /nfs/dbraw/zinc/76/32/86/815763286.db2.gz GWSYSOGPHVSIBE-AAEUAGOBSA-N 3 1 284.404 -0.626 20 0 CBADMP CN(C1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1)[C@H]1CCOC1 ZINC001161498049 815763290 /nfs/dbraw/zinc/76/32/90/815763290.db2.gz GWSYSOGPHVSIBE-AAEUAGOBSA-N 2 1 284.404 -0.626 20 0 CBADMP NC[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)cc1 ZINC001161507277 815765308 /nfs/dbraw/zinc/76/53/08/815765308.db2.gz RTSILXDTIOTKRU-CHWSQXEVSA-N 2 1 290.367 -0.555 20 0 CBADMP CN1CC2(C1)CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C2 ZINC001161531517 815768506 /nfs/dbraw/zinc/76/85/06/815768506.db2.gz GVHTVTPWAMKXMR-LBPRGKRZSA-N 2 1 268.405 -0.180 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001161649396 815776049 /nfs/dbraw/zinc/77/60/49/815776049.db2.gz GAHIDZCZTMHZTF-LBPRGKRZSA-N 2 1 284.404 -0.312 20 0 CBADMP NC(=O)CNc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001161837086 815790250 /nfs/dbraw/zinc/79/02/50/815790250.db2.gz JDBHQWBIVFMTFO-UHFFFAOYSA-N 2 1 250.306 -0.699 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCCC2=CC[NH+](CC(N)=O)CC2)C1 ZINC001161856610 815791265 /nfs/dbraw/zinc/79/12/65/815791265.db2.gz AMETXBFMYHDISV-CYBMUJFWSA-N 2 1 294.399 -0.438 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC2=CC[NH+](CC(N)=O)CC2)C1 ZINC001161856610 815791271 /nfs/dbraw/zinc/79/12/71/815791271.db2.gz AMETXBFMYHDISV-CYBMUJFWSA-N 2 1 294.399 -0.438 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCC2=CC[N@H+](CC(N)=O)CC2)C1 ZINC001161856610 815791276 /nfs/dbraw/zinc/79/12/76/815791276.db2.gz AMETXBFMYHDISV-CYBMUJFWSA-N 2 1 294.399 -0.438 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCC2=CC[N@@H+](CC(N)=O)CC2)C1 ZINC001161856610 815791282 /nfs/dbraw/zinc/79/12/82/815791282.db2.gz AMETXBFMYHDISV-CYBMUJFWSA-N 2 1 294.399 -0.438 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCCC2=CC[NH+](CC(N)=O)CC2)C1 ZINC001161856611 815791383 /nfs/dbraw/zinc/79/13/83/815791383.db2.gz AMETXBFMYHDISV-ZDUSSCGKSA-N 2 1 294.399 -0.438 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC2=CC[NH+](CC(N)=O)CC2)C1 ZINC001161856611 815791390 /nfs/dbraw/zinc/79/13/90/815791390.db2.gz AMETXBFMYHDISV-ZDUSSCGKSA-N 2 1 294.399 -0.438 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCC2=CC[N@H+](CC(N)=O)CC2)C1 ZINC001161856611 815791398 /nfs/dbraw/zinc/79/13/98/815791398.db2.gz AMETXBFMYHDISV-ZDUSSCGKSA-N 2 1 294.399 -0.438 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCC2=CC[N@@H+](CC(N)=O)CC2)C1 ZINC001161856611 815791406 /nfs/dbraw/zinc/79/14/06/815791406.db2.gz AMETXBFMYHDISV-ZDUSSCGKSA-N 2 1 294.399 -0.438 20 0 CBADMP CCOC(=O)c1nccc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001161871358 815793102 /nfs/dbraw/zinc/79/31/02/815793102.db2.gz YHFBDRBGRAZFPI-UHFFFAOYSA-N 2 1 293.371 -0.090 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCCC1=CC[NH+](CC(N)=O)CC1 ZINC001161946993 815795906 /nfs/dbraw/zinc/79/59/06/815795906.db2.gz QCPHLVODZNUOPR-UHFFFAOYSA-N 2 1 296.415 -0.050 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC1=CC[NH+](CC(N)=O)CC1 ZINC001161946993 815795913 /nfs/dbraw/zinc/79/59/13/815795913.db2.gz QCPHLVODZNUOPR-UHFFFAOYSA-N 2 1 296.415 -0.050 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@H+](CC(N)=O)CC1 ZINC001161946993 815795918 /nfs/dbraw/zinc/79/59/18/815795918.db2.gz QCPHLVODZNUOPR-UHFFFAOYSA-N 2 1 296.415 -0.050 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001161946993 815795924 /nfs/dbraw/zinc/79/59/24/815795924.db2.gz QCPHLVODZNUOPR-UHFFFAOYSA-N 2 1 296.415 -0.050 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1nncn1C ZINC001162626863 815836459 /nfs/dbraw/zinc/83/64/59/815836459.db2.gz BVLIOKIPPQIPIO-UHFFFAOYSA-N 2 1 291.359 -0.384 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001162612029 815836717 /nfs/dbraw/zinc/83/67/17/815836717.db2.gz ZVOUFGSRPBEMKC-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872642 815847689 /nfs/dbraw/zinc/84/76/89/815847689.db2.gz ZCKDZTRRFPURKS-UQJCBBSYSA-N 2 1 297.399 -0.674 20 0 CBADMP Cc1[nH+]ccn1-c1ccc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)nn1 ZINC001163243699 815873468 /nfs/dbraw/zinc/87/34/68/815873468.db2.gz WCROYDDDOAJSJM-QMTHXVAHSA-N 2 1 299.338 -0.039 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])Nc1ncnc2c1C[NH2+]C2 ZINC001163439410 815885234 /nfs/dbraw/zinc/88/52/34/815885234.db2.gz YRQIFKXQBGTCRU-JTQLQIEISA-N 2 1 278.360 -0.265 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)[NH+](C)C ZINC001292392499 816443920 /nfs/dbraw/zinc/44/39/20/816443920.db2.gz VBIANGMIAILXQU-IJLUTSLNSA-N 2 1 257.378 -0.102 20 0 CBADMP Cc1nc[nH]c1CC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001292586053 816469529 /nfs/dbraw/zinc/46/95/29/816469529.db2.gz IMWBSBDEQYVASK-LBPRGKRZSA-N 2 1 293.371 -0.413 20 0 CBADMP C[NH+](C)CCC(=O)NCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001292947707 816492792 /nfs/dbraw/zinc/49/27/92/816492792.db2.gz WXQRGGUJBOQXOI-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CN(CCCNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1C ZINC001294291260 816538710 /nfs/dbraw/zinc/53/87/10/816538710.db2.gz CCJZDEZFTSCPLQ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[NH+](C)CCC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001298412545 816681253 /nfs/dbraw/zinc/68/12/53/816681253.db2.gz HHWQBPVUOBOIKL-DSYXLKISSA-N 2 1 296.415 -0.322 20 0 CBADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cnnn1C ZINC001308248786 816823147 /nfs/dbraw/zinc/82/31/47/816823147.db2.gz MIHPLLGTTALAFL-LLVKDONJSA-N 2 1 252.366 -0.459 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CCO)CC[N@H+]1C ZINC001316823560 816883097 /nfs/dbraw/zinc/88/30/97/816883097.db2.gz FQZWYOXRBBMDRK-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[N@H+](C)CCO)CC[NH+]1C ZINC001316823560 816883107 /nfs/dbraw/zinc/88/31/07/816883107.db2.gz FQZWYOXRBBMDRK-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[N@@H+](C)CCO)CC[NH+]1C ZINC001316823560 816883110 /nfs/dbraw/zinc/88/31/10/816883110.db2.gz FQZWYOXRBBMDRK-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001316845741 816890762 /nfs/dbraw/zinc/89/07/62/816890762.db2.gz UAYHNYIRTOKJIA-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001316845741 816890771 /nfs/dbraw/zinc/89/07/71/816890771.db2.gz UAYHNYIRTOKJIA-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001316845741 816890776 /nfs/dbraw/zinc/89/07/76/816890776.db2.gz UAYHNYIRTOKJIA-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@@H+](CCCNC(=O)C[NH+]1CCCC1)[C@H]1CCCNC1=O ZINC001316865684 816894179 /nfs/dbraw/zinc/89/41/79/816894179.db2.gz PSYFXJWJHGEJFD-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)N1CCC1 ZINC001316865741 816895245 /nfs/dbraw/zinc/89/52/45/816895245.db2.gz RJWKMKSUADJNPZ-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC(N)=O ZINC001316886690 816898575 /nfs/dbraw/zinc/89/85/75/816898575.db2.gz HQKOXAIAUCMDJB-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(N)=O ZINC001316886690 816898582 /nfs/dbraw/zinc/89/85/82/816898582.db2.gz HQKOXAIAUCMDJB-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)CC(N)=O ZINC001316886690 816898589 /nfs/dbraw/zinc/89/85/89/816898589.db2.gz HQKOXAIAUCMDJB-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001317115163 816934459 /nfs/dbraw/zinc/93/44/59/816934459.db2.gz LFFCTFLANZJADT-MJBXVCDLSA-N 2 1 299.415 -0.284 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCO)C2)C1 ZINC001317161153 816937281 /nfs/dbraw/zinc/93/72/81/816937281.db2.gz AIAZCGSPTCEJOO-STQMWFEESA-N 2 1 269.389 -0.241 20 0 CBADMP C[C@H](O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001317244935 816949169 /nfs/dbraw/zinc/94/91/69/816949169.db2.gz FPVWOSANNYLWPZ-QWRGUYRKSA-N 2 1 257.378 -0.054 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001317450800 816984162 /nfs/dbraw/zinc/98/41/62/816984162.db2.gz IMDXKGUETYEZTB-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317450800 816984165 /nfs/dbraw/zinc/98/41/65/816984165.db2.gz IMDXKGUETYEZTB-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001317450800 816984168 /nfs/dbraw/zinc/98/41/68/816984168.db2.gz IMDXKGUETYEZTB-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001317598934 817026543 /nfs/dbraw/zinc/02/65/43/817026543.db2.gz MQGHKQQMRRKTDN-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP CN(CC[NH2+]Cc1ccn(C)n1)C(=O)CC[NH+](C)C ZINC001317623251 817032347 /nfs/dbraw/zinc/03/23/47/817032347.db2.gz HTUOOWQNSYGFEB-UHFFFAOYSA-N 2 1 267.377 -0.080 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317660423 817043109 /nfs/dbraw/zinc/04/31/09/817043109.db2.gz CTIFVCPSRLLQPL-CYBMUJFWSA-N 2 1 298.431 -0.242 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1C[NH+](CCOCCO)C1 ZINC001318139168 817081261 /nfs/dbraw/zinc/08/12/61/817081261.db2.gz YXTVXYYISNDLEV-UHFFFAOYSA-N 2 1 296.371 -0.752 20 0 CBADMP O=C(CCCC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](CCO)C1 ZINC001318291824 817094565 /nfs/dbraw/zinc/09/45/65/817094565.db2.gz WWFYNOJVPPNNNE-AWEZNQCLSA-N 2 1 299.415 -0.328 20 0 CBADMP O=C(CCCC[NH+]1CCOCC1)N[C@H]1CC[N@H+](CCO)C1 ZINC001318291824 817094569 /nfs/dbraw/zinc/09/45/69/817094569.db2.gz WWFYNOJVPPNNNE-AWEZNQCLSA-N 2 1 299.415 -0.328 20 0 CBADMP CN(C(=O)C1([NH+](C)C)CCC1)[C@H]1CC[N@@H+](CCO)C1 ZINC001318407844 817106516 /nfs/dbraw/zinc/10/65/16/817106516.db2.gz UIMRFUNHXVJLEB-LBPRGKRZSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001318422689 817108857 /nfs/dbraw/zinc/10/88/57/817108857.db2.gz AGCJZOMDPPDRGN-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1)[NH+](C)C ZINC001318443118 817109941 /nfs/dbraw/zinc/10/99/41/817109941.db2.gz RNZABSXHCOJKTL-VXGBXAGGSA-N 2 1 257.378 -0.148 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001318507316 817117491 /nfs/dbraw/zinc/11/74/91/817117491.db2.gz QNCUUILDYVTJML-NXEZZACHSA-N 2 1 256.350 -0.950 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001319130038 817168789 /nfs/dbraw/zinc/16/87/89/817168789.db2.gz OQWSFQHNESMTKL-GFCCVEGCSA-N 2 1 266.345 -0.236 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)C[NH2+]CCCO)C1 ZINC001319281213 817185164 /nfs/dbraw/zinc/18/51/64/817185164.db2.gz GKWGHMWXQPBIKC-OLZOCXBDSA-N 2 1 287.404 -0.569 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)C[NH2+]CCCO)C1 ZINC001319281213 817185165 /nfs/dbraw/zinc/18/51/65/817185165.db2.gz GKWGHMWXQPBIKC-OLZOCXBDSA-N 2 1 287.404 -0.569 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCO ZINC001319956963 817260135 /nfs/dbraw/zinc/26/01/35/817260135.db2.gz HAYIPCDGOIDZRT-VXGBXAGGSA-N 2 1 257.378 -0.339 20 0 CBADMP CC(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001320204574 817291842 /nfs/dbraw/zinc/29/18/42/817291842.db2.gz YRJXZUSJWOKARL-CHWSQXEVSA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001320204574 817291847 /nfs/dbraw/zinc/29/18/47/817291847.db2.gz YRJXZUSJWOKARL-CHWSQXEVSA-N 2 1 287.404 -0.570 20 0 CBADMP CCN(CC[NH2+]CCCO)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001320921591 817410604 /nfs/dbraw/zinc/41/06/04/817410604.db2.gz PGZGOYKDHBJFFS-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CCN(CC[NH2+]CCCO)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001320921591 817410613 /nfs/dbraw/zinc/41/06/13/817410613.db2.gz PGZGOYKDHBJFFS-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CN1CC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001320999915 817425593 /nfs/dbraw/zinc/42/55/93/817425593.db2.gz WAWPHQPNJLREKR-LDIIPZEWSA-N 2 1 294.399 -0.427 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001321334687 817484490 /nfs/dbraw/zinc/48/44/90/817484490.db2.gz CJQGUWANEGQZOQ-AIMRDXAKSA-N 2 1 296.415 -0.275 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001253405003 825913331 /nfs/dbraw/zinc/91/33/31/825913331.db2.gz MTYRGASWPRILLV-DCAQKATOSA-N 2 1 278.418 -0.099 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[NH2+]CCOCCOCCO ZINC001253205557 825904875 /nfs/dbraw/zinc/90/48/75/825904875.db2.gz DIFQWJHBFABNAY-ZDUSSCGKSA-N 2 1 278.393 -0.696 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCO)CC1 ZINC001163822045 819854162 /nfs/dbraw/zinc/85/41/62/819854162.db2.gz RGLRTJRCRPGRPH-GFCCVEGCSA-N 2 1 269.389 -0.051 20 0 CBADMP Cc1[nH+]ccn1-c1cc(N(CC[NH3+])CCO)ncn1 ZINC001163829902 819855305 /nfs/dbraw/zinc/85/53/05/819855305.db2.gz ICLZLNJDSNBIFB-UHFFFAOYSA-N 2 1 262.317 -0.272 20 0 CBADMP [NH3+]CCN(CCO)c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001163832364 819855329 /nfs/dbraw/zinc/85/53/29/819855329.db2.gz OYYVSDRJRPTCLS-UHFFFAOYSA-N 3 1 275.356 -0.222 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC2(C[NH2+]CCCO)CC2)C1 ZINC001163940143 819872533 /nfs/dbraw/zinc/87/25/33/819872533.db2.gz JGGPPMAFBPCMFO-ZDUSSCGKSA-N 2 1 299.415 -0.425 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC2(C[NH2+]CCCO)CC2)C1 ZINC001163940143 819872542 /nfs/dbraw/zinc/87/25/42/819872542.db2.gz JGGPPMAFBPCMFO-ZDUSSCGKSA-N 2 1 299.415 -0.425 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001164449277 819914103 /nfs/dbraw/zinc/91/41/03/819914103.db2.gz GRERAWLABSVKTQ-LBPRGKRZSA-N 2 1 284.404 -0.310 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001164574397 819931144 /nfs/dbraw/zinc/93/11/44/819931144.db2.gz KCBQWHFYFMVVNH-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001164574637 819931557 /nfs/dbraw/zinc/93/15/57/819931557.db2.gz UMMNENYWLGTAHU-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001164574412 819931888 /nfs/dbraw/zinc/93/18/88/819931888.db2.gz KOQNRVGXHYDDDI-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP C[NH+]1CCN(c2nccc(N3C[C@H]([NH3+])[C@@H](F)C3)n2)CC1 ZINC001165118259 819940429 /nfs/dbraw/zinc/94/04/29/819940429.db2.gz RURLFHOUOIDGQS-QWRGUYRKSA-N 2 1 280.351 -0.286 20 0 CBADMP C[N@H+](C1CN(c2ncnc3c2C[NH2+]C3)C1)[C@@H]1CCOC1 ZINC001165203774 819942993 /nfs/dbraw/zinc/94/29/93/819942993.db2.gz GAGVDZFPEZLPHP-SNVBAGLBSA-N 2 1 275.356 -0.011 20 0 CBADMP C[N@@H+](C1CN(c2ncnc3c2C[NH2+]C3)C1)[C@@H]1CCOC1 ZINC001165203774 819942997 /nfs/dbraw/zinc/94/29/97/819942997.db2.gz GAGVDZFPEZLPHP-SNVBAGLBSA-N 2 1 275.356 -0.011 20 0 CBADMP OC[C@@]12C[NH2+]C[C@@H]1CN(c1ncnc3c1C[NH2+]C3)C2 ZINC001165283564 819948114 /nfs/dbraw/zinc/94/81/14/819948114.db2.gz BAPKKJLRMLRSFV-RNCFNFMXSA-N 2 1 261.329 -0.902 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001166633678 820008529 /nfs/dbraw/zinc/00/85/29/820008529.db2.gz JIYMUSPCSDDUFO-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CCCO ZINC001166626827 820008642 /nfs/dbraw/zinc/00/86/42/820008642.db2.gz KKMAENZLCWWQSB-LBPRGKRZSA-N 2 1 257.378 -0.051 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001166633190 820008694 /nfs/dbraw/zinc/00/86/94/820008694.db2.gz BOGVMNSKWLCXAV-NSHDSACASA-N 2 1 295.391 -0.710 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001166627140 820009600 /nfs/dbraw/zinc/00/96/00/820009600.db2.gz QUCWUIWDEGIGNQ-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166627180 820010995 /nfs/dbraw/zinc/01/09/95/820010995.db2.gz RNHLNXKYTXYUTC-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166676642 820013996 /nfs/dbraw/zinc/01/39/96/820013996.db2.gz AGQGDUNJHJHZNT-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001166677804 820014287 /nfs/dbraw/zinc/01/42/87/820014287.db2.gz NKESSIQMJYXAGQ-STQMWFEESA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001166677803 820015066 /nfs/dbraw/zinc/01/50/66/820015066.db2.gz NKESSIQMJYXAGQ-QWHCGFSZSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001166694017 820015457 /nfs/dbraw/zinc/01/54/57/820015457.db2.gz UNHMXORFNSQKJM-DGCLKSJQSA-N 2 1 294.403 -0.391 20 0 CBADMP Cc1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)[nH]1 ZINC001166692446 820016694 /nfs/dbraw/zinc/01/66/94/820016694.db2.gz PTSNWFMIACDFCT-PWSUYJOCSA-N 2 1 294.403 -0.093 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001166693485 820016863 /nfs/dbraw/zinc/01/68/63/820016863.db2.gz SPLMQEBUWJCRSZ-QWHCGFSZSA-N 2 1 294.403 -0.428 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166678460 820016972 /nfs/dbraw/zinc/01/69/72/820016972.db2.gz VOBFFLPUJUYUHJ-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1ncnn1C ZINC001166708443 820019877 /nfs/dbraw/zinc/01/98/77/820019877.db2.gz QPSPHJJGKGGXMY-RYUDHWBXSA-N 2 1 294.403 -0.391 20 0 CBADMP NC(=O)[C@@H]1CN(c2nc(Cl)nc3c2CC[NH2+]C3)CC[NH2+]1 ZINC001166723732 820024191 /nfs/dbraw/zinc/02/41/91/820024191.db2.gz JXZGVFHFSGOXHT-VIFPVBQESA-N 2 1 296.762 -0.961 20 0 CBADMP COC(=O)C1([NH3+])CCN(c2cc3c(nn2)CC[NH2+]C3)CC1 ZINC001166797698 820038416 /nfs/dbraw/zinc/03/84/16/820038416.db2.gz XHNWJQYWIZDQHD-UHFFFAOYSA-N 2 1 291.355 -0.407 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1ccc(N2CC[NH2+]CC2)nc1 ZINC001167358243 820085530 /nfs/dbraw/zinc/08/55/30/820085530.db2.gz NAWROXIEWNYLDL-UHFFFAOYSA-N 2 1 285.355 -0.385 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001167627187 820108235 /nfs/dbraw/zinc/10/82/35/820108235.db2.gz LFGMWRPXSUNHIM-LBPRGKRZSA-N 2 1 284.404 -0.170 20 0 CBADMP Cc1ncc(C[NH3+])c(=N)n1-c1ncnc2c1C[N@@H+](C)CC2 ZINC001167673528 820110180 /nfs/dbraw/zinc/11/01/80/820110180.db2.gz ZTYOQJUMPOVCNA-UHFFFAOYSA-N 2 1 285.355 -0.103 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC2(C[NH2+]CCO)CC2)C1 ZINC001168146425 820145173 /nfs/dbraw/zinc/14/51/73/820145173.db2.gz HVSYGHKBWHBVJM-LBPRGKRZSA-N 2 1 269.389 -0.194 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC2(C[NH2+]CCO)CC2)C1 ZINC001168241310 820152780 /nfs/dbraw/zinc/15/27/80/820152780.db2.gz WJQCYTOBFSJUFQ-CYBMUJFWSA-N 2 1 299.415 -0.425 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC2(C[NH2+]CCO)CC2)C1 ZINC001168241310 820152783 /nfs/dbraw/zinc/15/27/83/820152783.db2.gz WJQCYTOBFSJUFQ-CYBMUJFWSA-N 2 1 299.415 -0.425 20 0 CBADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCN(CC[NH3+])CC2)CO1 ZINC001169320197 820229577 /nfs/dbraw/zinc/22/95/77/820229577.db2.gz JBMFONRWLRHLSB-QWHCGFSZSA-N 2 1 285.388 -0.327 20 0 CBADMP CC(=O)N1CC[C@H]([N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)C1 ZINC001169556166 820255837 /nfs/dbraw/zinc/25/58/37/820255837.db2.gz PUOQZSLTNYHXTK-AWEZNQCLSA-N 2 1 296.415 -0.297 20 0 CBADMP CNC(=O)[C@H](C)Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001169979428 820270605 /nfs/dbraw/zinc/27/06/05/820270605.db2.gz MBVCOISAXQRFTK-VIFPVBQESA-N 2 1 278.360 -0.050 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001170211501 820280926 /nfs/dbraw/zinc/28/09/26/820280926.db2.gz NZLKAGVMRNLKIR-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001170221520 820281655 /nfs/dbraw/zinc/28/16/55/820281655.db2.gz CHUQDXXEZLFIOL-UHFFFAOYSA-N 2 1 299.419 -0.551 20 0 CBADMP OC[C@H]1C[C@@H](O)CN1c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001170285937 820285750 /nfs/dbraw/zinc/28/57/50/820285750.db2.gz JIITWOCBJPJNIP-CHWSQXEVSA-N 2 1 288.351 -0.047 20 0 CBADMP C[C@H]1[C@@H](O)CC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC001170323975 820288078 /nfs/dbraw/zinc/28/80/78/820288078.db2.gz JEGDFWROSHJLNE-JQWIXIFHSA-N 2 1 255.362 -0.348 20 0 CBADMP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170512191 820296825 /nfs/dbraw/zinc/29/68/25/820296825.db2.gz IHZTVCDSMGJSHN-UTLUCORTSA-N 2 1 258.318 -0.334 20 0 CBADMP [NH3+]CCOCCOCCNc1[nH+]ccc2c1OCC(=O)N2 ZINC001170504949 820297758 /nfs/dbraw/zinc/29/77/58/820297758.db2.gz HBWVONAMFADQJJ-UHFFFAOYSA-N 2 1 296.327 -0.184 20 0 CBADMP CCOC(=O)C1=C(N=c2c[n+](O)cc[nH]2)CC[NH2+]C1 ZINC001170514017 820298093 /nfs/dbraw/zinc/29/80/93/820298093.db2.gz NEGIUHRLCFOFIO-UHFFFAOYSA-N 2 1 264.285 -0.063 20 0 CBADMP CC[C@@]([NH3+])(CO)Nc1nccc(N2CC[NH2+]CC2)n1 ZINC001170855010 820329725 /nfs/dbraw/zinc/32/97/25/820329725.db2.gz NFHGKNFYWTWBLJ-LBPRGKRZSA-N 2 1 266.349 -0.645 20 0 CBADMP CC[C@@]([NH3+])(CO)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001170863771 820331973 /nfs/dbraw/zinc/33/19/73/820331973.db2.gz DVTOOGHDBKWLLX-ZDUSSCGKSA-N 2 1 280.376 -0.302 20 0 CBADMP N[C@@H](CCC[NH3+])Nc1ccnc(N2CC[NH2+]CC2)n1 ZINC001170894113 820332495 /nfs/dbraw/zinc/33/24/95/820332495.db2.gz GZDWHBAREGQZMF-SNVBAGLBSA-N 2 1 265.365 -0.678 20 0 CBADMP [NH3+]CCC[C@H]([NH3+])Nc1cccc(=NN2C(=O)CCC2=O)[nH]1 ZINC001170896191 820332664 /nfs/dbraw/zinc/33/26/64/820332664.db2.gz CDXOHUJTUMDXGY-SECBINFHSA-N 2 1 292.343 -0.007 20 0 CBADMP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc[nH+]cc1C(=O)OC ZINC001170874333 820333634 /nfs/dbraw/zinc/33/36/34/820333634.db2.gz HFZXVXSBXFZHEA-ZYHUDNBSSA-N 2 1 293.323 -0.147 20 0 CBADMP C[NH+]1CCN(c2ncc(N[C@H]([NH3+])CCC[NH3+])cn2)CC1 ZINC001170900910 820334797 /nfs/dbraw/zinc/33/47/97/820334797.db2.gz ZLLKEQATNVFWIQ-LBPRGKRZSA-N 3 1 279.392 -0.336 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171215359 820350342 /nfs/dbraw/zinc/35/03/42/820350342.db2.gz AZHUFWPTQZJOFV-LLVKDONJSA-N 2 1 270.377 -0.830 20 0 CBADMP CCCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171216402 820350548 /nfs/dbraw/zinc/35/05/48/820350548.db2.gz IAHVYMQIFMAHAW-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP C[C@H](O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171227294 820351138 /nfs/dbraw/zinc/35/11/38/820351138.db2.gz NIUHNJWMMIRZFW-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171227365 820351551 /nfs/dbraw/zinc/35/15/51/820351551.db2.gz OTAVWKCTRXTDGC-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171219497 820351620 /nfs/dbraw/zinc/35/16/20/820351620.db2.gz YACLNHPQDHHHEQ-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP Cn1cc(C[NH2+]CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001171216399 820352038 /nfs/dbraw/zinc/35/20/38/820352038.db2.gz HYZRBYXGWCOPDM-GFCCVEGCSA-N 2 1 294.403 -0.247 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001171762750 820369015 /nfs/dbraw/zinc/36/90/15/820369015.db2.gz JJLINMHYTBHHFY-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001171763010 820369935 /nfs/dbraw/zinc/36/99/35/820369935.db2.gz QGCOHQUPYRTGGS-UHFFFAOYSA-N 2 1 298.431 -0.050 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001171762354 820370757 /nfs/dbraw/zinc/37/07/57/820370757.db2.gz ANRXSEILOCBHBW-UHFFFAOYSA-N 2 1 299.419 -0.551 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCC[N@@H+](C)CCO)CC1=O ZINC001172042260 820380859 /nfs/dbraw/zinc/38/08/59/820380859.db2.gz LOKJANKJAXEZFZ-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[N@H+]1CC[C@H](NCCC[NH+](CCO)CCO)C1 ZINC001173350529 820401236 /nfs/dbraw/zinc/40/12/36/820401236.db2.gz PFJPURIZXVFOHV-ZDUSSCGKSA-N 2 1 259.394 -0.653 20 0 CBADMP C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001172108551 820382207 /nfs/dbraw/zinc/38/22/07/820382207.db2.gz BGYFCZHWVVCVEU-NWBUJAPZSA-N 2 1 296.415 -0.030 20 0 CBADMP C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001172108551 820382216 /nfs/dbraw/zinc/38/22/16/820382216.db2.gz BGYFCZHWVVCVEU-NWBUJAPZSA-N 2 1 296.415 -0.030 20 0 CBADMP CCN1CC[C@@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)CC1=O ZINC001172050484 820382462 /nfs/dbraw/zinc/38/24/62/820382462.db2.gz BZEKCQWJWCQTLL-CYBMUJFWSA-N 2 1 280.416 -0.071 20 0 CBADMP COCCC[NH+]1CCC([N@H+](C)C[C@H](O)CO)CC1 ZINC001172251713 820392125 /nfs/dbraw/zinc/39/21/25/820392125.db2.gz VRUDVKIQQDOBJG-ZDUSSCGKSA-N 2 1 260.378 -0.228 20 0 CBADMP COCCC[NH+]1CCC([N@@H+](C)C[C@H](O)CO)CC1 ZINC001172251713 820392136 /nfs/dbraw/zinc/39/21/36/820392136.db2.gz VRUDVKIQQDOBJG-ZDUSSCGKSA-N 2 1 260.378 -0.228 20 0 CBADMP COCCC[NH+]1CCC([NH2+][C@@H]2COC[C@H]2O)CC1 ZINC001172243714 820393151 /nfs/dbraw/zinc/39/31/51/820393151.db2.gz RIDSUJJYIMPBNX-CHWSQXEVSA-N 2 1 258.362 -0.163 20 0 CBADMP Cn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176071793 820437770 /nfs/dbraw/zinc/43/77/70/820437770.db2.gz HUTHXRBAZDLLLB-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP CN1CCC[C@H]([NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001176057816 820437824 /nfs/dbraw/zinc/43/78/24/820437824.db2.gz STUDFKMERNVMCM-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001176058092 820438040 /nfs/dbraw/zinc/43/80/40/820438040.db2.gz UKDGYMOQZJVBTM-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001176072521 820438141 /nfs/dbraw/zinc/43/81/41/820438141.db2.gz XFNCOSNWZCKISE-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP Cn1ccnc1C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176070940 820438540 /nfs/dbraw/zinc/43/85/40/820438540.db2.gz ACVZULNZKFGRKX-LBPRGKRZSA-N 2 1 279.388 -0.032 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072202 820438781 /nfs/dbraw/zinc/43/87/81/820438781.db2.gz MTRCHFYVNZOHKP-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1)c1nnnn1C ZINC001176058617 820438928 /nfs/dbraw/zinc/43/89/28/820438928.db2.gz YYHVWDJDBIIIDU-QWRGUYRKSA-N 2 1 295.391 -0.681 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001176071801 820438959 /nfs/dbraw/zinc/43/89/59/820438959.db2.gz HYYFKYCGVMANLJ-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176072170 820439029 /nfs/dbraw/zinc/43/90/29/820439029.db2.gz MLWGHAJUBBDFDS-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H](C)OC)C1 ZINC001176644187 820455412 /nfs/dbraw/zinc/45/54/12/820455412.db2.gz NFSCALJCSGUXHW-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H](C)OC)C1 ZINC001176644187 820455419 /nfs/dbraw/zinc/45/54/19/820455419.db2.gz NFSCALJCSGUXHW-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H]2CCOC2)C1 ZINC001176635658 820455474 /nfs/dbraw/zinc/45/54/74/820455474.db2.gz DPBUFVDDZFEYAF-ZIAGYGMSSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H]2CCOC2)C1 ZINC001176635658 820455480 /nfs/dbraw/zinc/45/54/80/820455480.db2.gz DPBUFVDDZFEYAF-ZIAGYGMSSA-N 2 1 299.415 -0.161 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001176972233 820483950 /nfs/dbraw/zinc/48/39/50/820483950.db2.gz RQRRIVZEDJGKPV-NSHDSACASA-N 2 1 297.407 -0.293 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176975134 820483976 /nfs/dbraw/zinc/48/39/76/820483976.db2.gz KEPVVTAVNWGAPE-NSHDSACASA-N 2 1 272.393 -0.443 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001176971797 820484832 /nfs/dbraw/zinc/48/48/32/820484832.db2.gz IHHQKQPBBABSHS-UHFFFAOYSA-N 2 1 282.392 -0.249 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001176971538 820485256 /nfs/dbraw/zinc/48/52/56/820485256.db2.gz CBCQBWDIKVMRBE-UHFFFAOYSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001176986678 820486857 /nfs/dbraw/zinc/48/68/57/820486857.db2.gz SDFKYPGMRSFRSW-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCO ZINC001176992469 820487106 /nfs/dbraw/zinc/48/71/06/820487106.db2.gz QFCXPTMJBKEEPR-LBPRGKRZSA-N 2 1 257.378 -0.051 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178356769 820576761 /nfs/dbraw/zinc/57/67/61/820576761.db2.gz RFPNNGNPHIHYSV-RFQIPJPRSA-N 2 1 299.415 -0.333 20 0 CBADMP Cc1ncc(C[NH3+])c(=N)n1C(=O)CN1CC[NH+](C)CC1 ZINC001178953647 820609900 /nfs/dbraw/zinc/60/99/00/820609900.db2.gz LAAOZETVKIXQBK-UHFFFAOYSA-N 2 1 278.360 -0.983 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001179539060 820631507 /nfs/dbraw/zinc/63/15/07/820631507.db2.gz NNRWBJHFXKTDFB-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1n[nH]c(C)n1 ZINC001189876858 823784109 /nfs/dbraw/zinc/78/41/09/823784109.db2.gz XSAQFYHBOPSTFS-UHFFFAOYSA-N 2 1 267.337 -0.209 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180123842 820650813 /nfs/dbraw/zinc/65/08/13/820650813.db2.gz DATVSHJVMNLZKG-IHRRRGAJSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001180764462 820724325 /nfs/dbraw/zinc/72/43/25/820724325.db2.gz YEGFUZBBQWRXOK-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001180764462 820724330 /nfs/dbraw/zinc/72/43/30/820724330.db2.gz YEGFUZBBQWRXOK-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCC[C@@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180764462 820724335 /nfs/dbraw/zinc/72/43/35/820724335.db2.gz YEGFUZBBQWRXOK-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCC[C@@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180764462 820724341 /nfs/dbraw/zinc/72/43/41/820724341.db2.gz YEGFUZBBQWRXOK-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181651691 820807315 /nfs/dbraw/zinc/80/73/15/820807315.db2.gz FDFHMFRANAYWIZ-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181651527 820807870 /nfs/dbraw/zinc/80/78/70/820807870.db2.gz CPDKYLDHJDPQFK-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181822177 820834474 /nfs/dbraw/zinc/83/44/74/820834474.db2.gz POGYQJWUGSWRKQ-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181822177 820834488 /nfs/dbraw/zinc/83/44/88/820834488.db2.gz POGYQJWUGSWRKQ-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1(O)CC[NH+](C)CC1 ZINC001182033632 820855848 /nfs/dbraw/zinc/85/58/48/820855848.db2.gz YKPAQWCZPPQAKJ-NWDGAFQWSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C1(O)CC[NH+](C)CC1 ZINC001182033632 820855863 /nfs/dbraw/zinc/85/58/63/820855863.db2.gz YKPAQWCZPPQAKJ-NWDGAFQWSA-N 2 1 269.389 -0.006 20 0 CBADMP C[NH+]1CCC(O)(C(=O)NCCN2CCC[N@@H+](C)CC2)CC1 ZINC001182036271 820859465 /nfs/dbraw/zinc/85/94/65/820859465.db2.gz MLUXMVZDFWHJPC-UHFFFAOYSA-N 2 1 298.431 -0.803 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001183648776 821011460 /nfs/dbraw/zinc/01/14/60/821011460.db2.gz ZCCDYFNPKKMPPX-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001183648774 821012280 /nfs/dbraw/zinc/01/22/80/821012280.db2.gz ZCCDYFNPKKMPPX-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC001183764788 821032725 /nfs/dbraw/zinc/03/27/25/821032725.db2.gz IIGPIANQOVXVJA-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183752363 821032932 /nfs/dbraw/zinc/03/29/32/821032932.db2.gz HFSSXQLQLMGOGD-CQSZACIVSA-N 2 1 277.368 -0.041 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183752363 821032940 /nfs/dbraw/zinc/03/29/40/821032940.db2.gz HFSSXQLQLMGOGD-CQSZACIVSA-N 2 1 277.368 -0.041 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001185256582 821111329 /nfs/dbraw/zinc/11/13/29/821111329.db2.gz FDEDVEOXAVZJHP-ZDUSSCGKSA-N 2 1 268.405 -0.214 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC001185256620 821111570 /nfs/dbraw/zinc/11/15/70/821111570.db2.gz FMCPCZUHFVOCAM-CYBMUJFWSA-N 2 1 266.389 -0.461 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC001185261766 821113483 /nfs/dbraw/zinc/11/34/83/821113483.db2.gz HMWHMMGOJZJPDW-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001185261766 821113492 /nfs/dbraw/zinc/11/34/92/821113492.db2.gz HMWHMMGOJZJPDW-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001185261766 821113498 /nfs/dbraw/zinc/11/34/98/821113498.db2.gz HMWHMMGOJZJPDW-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001185257933 821113928 /nfs/dbraw/zinc/11/39/28/821113928.db2.gz NXSVPVCWNYPIJR-RDBSUJKOSA-N 2 1 280.416 -0.215 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001185257933 821113934 /nfs/dbraw/zinc/11/39/34/821113934.db2.gz NXSVPVCWNYPIJR-RDBSUJKOSA-N 2 1 280.416 -0.215 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001185257933 821113939 /nfs/dbraw/zinc/11/39/39/821113939.db2.gz NXSVPVCWNYPIJR-RDBSUJKOSA-N 2 1 280.416 -0.215 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001185257929 821115166 /nfs/dbraw/zinc/11/51/66/821115166.db2.gz NXSVPVCWNYPIJR-IHRRRGAJSA-N 2 1 280.416 -0.215 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001185257929 821115171 /nfs/dbraw/zinc/11/51/71/821115171.db2.gz NXSVPVCWNYPIJR-IHRRRGAJSA-N 2 1 280.416 -0.215 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001185257929 821115177 /nfs/dbraw/zinc/11/51/77/821115177.db2.gz NXSVPVCWNYPIJR-IHRRRGAJSA-N 2 1 280.416 -0.215 20 0 CBADMP Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408698 821127973 /nfs/dbraw/zinc/12/79/73/821127973.db2.gz WHJVQQIFQKIIRJ-LLVKDONJSA-N 2 1 280.376 -0.543 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185444825 821130898 /nfs/dbraw/zinc/13/08/98/821130898.db2.gz BZFWAKGTFMDDNH-QWHCGFSZSA-N 2 1 298.431 -0.112 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001185650762 821136879 /nfs/dbraw/zinc/13/68/79/821136879.db2.gz LZQOLJGFLVINHK-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001185660187 821138828 /nfs/dbraw/zinc/13/88/28/821138828.db2.gz ZOECJNRNVMDXOL-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185763292 821141114 /nfs/dbraw/zinc/14/11/14/821141114.db2.gz RYEWTHSHBCWINI-OLZOCXBDSA-N 2 1 298.431 -0.114 20 0 CBADMP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001186044377 821155828 /nfs/dbraw/zinc/15/58/28/821155828.db2.gz GDUGIZWXIINDAT-ZIAGYGMSSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001186044377 821155832 /nfs/dbraw/zinc/15/58/32/821155832.db2.gz GDUGIZWXIINDAT-ZIAGYGMSSA-N 2 1 297.399 -0.624 20 0 CBADMP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001186045097 821157298 /nfs/dbraw/zinc/15/72/98/821157298.db2.gz PYATUNSSNLMRIK-YRGRVCCFSA-N 2 1 267.373 -0.537 20 0 CBADMP C[N@@H+]1CCC[C@H](CCNC(=O)C[NH+]2CC[C@@H](O)C2)C1 ZINC001186048585 821159056 /nfs/dbraw/zinc/15/90/56/821159056.db2.gz HEPNHVVSLCCZIO-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)C[NH+]2CC[C@@H](O)C2)C1 ZINC001186048585 821159062 /nfs/dbraw/zinc/15/90/62/821159062.db2.gz HEPNHVVSLCCZIO-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](O)C2)C1 ZINC001186048585 821159067 /nfs/dbraw/zinc/15/90/67/821159067.db2.gz HEPNHVVSLCCZIO-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@H](CCNC(=O)C[N@H+]2CC[C@@H](O)C2)C1 ZINC001186048585 821159070 /nfs/dbraw/zinc/15/90/70/821159070.db2.gz HEPNHVVSLCCZIO-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC([NH+](C)C)C2)C1 ZINC001186099694 821169747 /nfs/dbraw/zinc/16/97/47/821169747.db2.gz YKINPIAFLXECDU-JTQLQIEISA-N 2 1 269.345 -0.746 20 0 CBADMP O=C(CCCC[NH+]1CCOCC1)N1CC[C@@H]([NH2+]CCO)C1 ZINC001186349143 821179474 /nfs/dbraw/zinc/17/94/74/821179474.db2.gz MSAFKJDYWVTXMZ-CQSZACIVSA-N 2 1 299.415 -0.328 20 0 CBADMP CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186356412 821179807 /nfs/dbraw/zinc/17/98/07/821179807.db2.gz VSTVENXISFBYNP-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001186833630 821200575 /nfs/dbraw/zinc/20/05/75/821200575.db2.gz GVGQGQXCVBODPK-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001279717211 828335463 /nfs/dbraw/zinc/33/54/63/828335463.db2.gz KNZLBYKINMRXPM-JHJVBQTASA-N 2 1 287.404 -0.882 20 0 CBADMP CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001280294884 828347072 /nfs/dbraw/zinc/34/70/72/828347072.db2.gz GLUWFOLZERDXHO-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP CCOCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001280473488 828354642 /nfs/dbraw/zinc/35/46/42/828354642.db2.gz SWPPYNLBBBATPD-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP CCOCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001280473488 828354650 /nfs/dbraw/zinc/35/46/50/828354650.db2.gz SWPPYNLBBBATPD-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001280545400 828358990 /nfs/dbraw/zinc/35/89/90/828358990.db2.gz NJVJMPVYGDDUAG-NSHDSACASA-N 2 1 255.362 -0.441 20 0 CBADMP COCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001280658564 828369967 /nfs/dbraw/zinc/36/99/67/828369967.db2.gz DTEKJVSAAQLDPM-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CCOC)C1 ZINC001280659968 828371320 /nfs/dbraw/zinc/37/13/20/828371320.db2.gz OUDCQYKUKGWRRB-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001187826067 822298269 /nfs/dbraw/zinc/29/82/69/822298269.db2.gz UHRUCLTVODJEQD-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187825335 822298889 /nfs/dbraw/zinc/29/88/89/822298889.db2.gz KWMJPMSBEJZFOM-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001282450666 828447706 /nfs/dbraw/zinc/44/77/06/828447706.db2.gz VTEKXZZQNMEZQP-WDEREUQCSA-N 2 1 298.387 -0.820 20 0 CBADMP C[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001282478407 828449250 /nfs/dbraw/zinc/44/92/50/828449250.db2.gz QJQFBYRZFBUCGE-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)CCO ZINC001282460821 828449602 /nfs/dbraw/zinc/44/96/02/828449602.db2.gz HAOXKYKMJWPGBS-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)CCO ZINC001282460821 828449604 /nfs/dbraw/zinc/44/96/04/828449604.db2.gz HAOXKYKMJWPGBS-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)CCO ZINC001282460821 828449605 /nfs/dbraw/zinc/44/96/05/828449605.db2.gz HAOXKYKMJWPGBS-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001282873882 828459386 /nfs/dbraw/zinc/45/93/86/828459386.db2.gz LUICXEUCSZDHRZ-XYYAHUGASA-N 2 1 269.389 -0.122 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001283025784 828490392 /nfs/dbraw/zinc/49/03/92/828490392.db2.gz YTGFSBFTGVCNHJ-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCO)C2)C1 ZINC001283102467 828496591 /nfs/dbraw/zinc/49/65/91/828496591.db2.gz PWVSSTOLSNWQSI-IJLUTSLNSA-N 2 1 255.362 -0.585 20 0 CBADMP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001283147822 828500290 /nfs/dbraw/zinc/50/02/90/828500290.db2.gz YIHXWJKJZOGJBA-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](CCC[NH2+]CCO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001283215599 828509095 /nfs/dbraw/zinc/50/90/95/828509095.db2.gz XARNRLZMCCIKTM-NWDGAFQWSA-N 2 1 257.378 -0.053 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001283256460 828510420 /nfs/dbraw/zinc/51/04/20/828510420.db2.gz KPTHYNXZQNBZDW-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[NH+](C)CCC(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283256460 828510422 /nfs/dbraw/zinc/51/04/22/828510422.db2.gz KPTHYNXZQNBZDW-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[NH+](C)CCC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283256460 828510426 /nfs/dbraw/zinc/51/04/26/828510426.db2.gz KPTHYNXZQNBZDW-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP COCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001283759412 828543639 /nfs/dbraw/zinc/54/36/39/828543639.db2.gz GZJNKQQZUBHOCX-JHJVBQTASA-N 2 1 287.404 -0.570 20 0 CBADMP COCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001283759405 828543768 /nfs/dbraw/zinc/54/37/68/828543768.db2.gz GZJNKQQZUBHOCX-FRRDWIJNSA-N 2 1 287.404 -0.570 20 0 CBADMP COCC[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001283806030 828550204 /nfs/dbraw/zinc/55/02/04/828550204.db2.gz URYGDPYTCAWIPK-NEPJUHHUSA-N 2 1 273.377 -0.959 20 0 CBADMP COCC[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001283806035 828550358 /nfs/dbraw/zinc/55/03/58/828550358.db2.gz URYGDPYTCAWIPK-NWDGAFQWSA-N 2 1 273.377 -0.959 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCO)[C@@H]1C ZINC001283941367 828560874 /nfs/dbraw/zinc/56/08/74/828560874.db2.gz XEGFFZDZBABGIZ-NWDGAFQWSA-N 2 1 257.378 -0.102 20 0 CBADMP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189401322 823753493 /nfs/dbraw/zinc/75/34/93/823753493.db2.gz VBRQEJXOXRVJBA-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCCO)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189401322 823753497 /nfs/dbraw/zinc/75/34/97/823753497.db2.gz VBRQEJXOXRVJBA-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCCO)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189401322 823753504 /nfs/dbraw/zinc/75/35/04/823753504.db2.gz VBRQEJXOXRVJBA-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190653067 823832724 /nfs/dbraw/zinc/83/27/24/823832724.db2.gz BNIHSSDKKNGJPU-JSGCOSHPSA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190653067 823832732 /nfs/dbraw/zinc/83/27/32/823832732.db2.gz BNIHSSDKKNGJPU-JSGCOSHPSA-N 2 1 296.415 -0.395 20 0 CBADMP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191802461 823923649 /nfs/dbraw/zinc/92/36/49/823923649.db2.gz RXDGFWIRLCOLJF-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191802461 823923657 /nfs/dbraw/zinc/92/36/57/823923657.db2.gz RXDGFWIRLCOLJF-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001191802461 823923662 /nfs/dbraw/zinc/92/36/62/823923662.db2.gz RXDGFWIRLCOLJF-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001191802461 823923670 /nfs/dbraw/zinc/92/36/70/823923670.db2.gz RXDGFWIRLCOLJF-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016710 823939494 /nfs/dbraw/zinc/93/94/94/823939494.db2.gz JHKVWDZZCQZPNP-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016713 823939565 /nfs/dbraw/zinc/93/95/65/823939565.db2.gz JHKVWDZZCQZPNP-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192036478 823940055 /nfs/dbraw/zinc/94/00/55/823940055.db2.gz AAZRJVMKLUEOGY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192036478 823940058 /nfs/dbraw/zinc/94/00/58/823940058.db2.gz AAZRJVMKLUEOGY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC(=O)N2CCC2)C1 ZINC001192144992 823953171 /nfs/dbraw/zinc/95/31/71/823953171.db2.gz YYDMPVBNVUYNDJ-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)N2CCC2)C1 ZINC001192144992 823953182 /nfs/dbraw/zinc/95/31/82/823953182.db2.gz YYDMPVBNVUYNDJ-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1 ZINC001192169599 823953423 /nfs/dbraw/zinc/95/34/23/823953423.db2.gz BDJZZXFPYIIEBD-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170111 823955201 /nfs/dbraw/zinc/95/52/01/823955201.db2.gz HJDTUJQMVVERMQ-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192190870 823956196 /nfs/dbraw/zinc/95/61/96/823956196.db2.gz USSZCHQMAAAUAK-TZMCWYRMSA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192190870 823956210 /nfs/dbraw/zinc/95/62/10/823956210.db2.gz USSZCHQMAAAUAK-TZMCWYRMSA-N 2 1 298.431 -0.149 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001192387746 823964281 /nfs/dbraw/zinc/96/42/81/823964281.db2.gz YQVFVGMBGIQCQI-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001192970196 823994735 /nfs/dbraw/zinc/99/47/35/823994735.db2.gz QRKIIKWCGPKNIM-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NC)C1 ZINC001192970859 823994793 /nfs/dbraw/zinc/99/47/93/823994793.db2.gz ZJTYFPULCYPAFD-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP COCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001284470468 828599323 /nfs/dbraw/zinc/59/93/23/828599323.db2.gz VGQZPGOZQARLDG-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NC)C1 ZINC001193639503 824042065 /nfs/dbraw/zinc/04/20/65/824042065.db2.gz AARQOOGNVTXAJB-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193738332 824044966 /nfs/dbraw/zinc/04/49/66/824044966.db2.gz QUHJXXXLRDHNRO-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193766792 824044982 /nfs/dbraw/zinc/04/49/82/824044982.db2.gz WODLUIBFCFJSSW-UPJWGTAASA-N 2 1 269.389 -0.102 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193791391 824046601 /nfs/dbraw/zinc/04/66/01/824046601.db2.gz LGZCMTPCYCKIKW-IJLUTSLNSA-N 2 1 255.362 -0.492 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193829254 824047476 /nfs/dbraw/zinc/04/74/76/824047476.db2.gz ZGSFWZKDXDCVFC-VXGBXAGGSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193829254 824047478 /nfs/dbraw/zinc/04/74/78/824047478.db2.gz ZGSFWZKDXDCVFC-VXGBXAGGSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193829254 824047481 /nfs/dbraw/zinc/04/74/81/824047481.db2.gz ZGSFWZKDXDCVFC-VXGBXAGGSA-N 2 1 255.362 -0.348 20 0 CBADMP COC[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193828107 824047703 /nfs/dbraw/zinc/04/77/03/824047703.db2.gz KWRBWOVMRMTUAL-MRVWCRGKSA-N 2 1 299.415 -0.333 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193828107 824047690 /nfs/dbraw/zinc/04/76/90/824047690.db2.gz KWRBWOVMRMTUAL-MRVWCRGKSA-N 2 1 299.415 -0.333 20 0 CBADMP COC[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193828107 824047695 /nfs/dbraw/zinc/04/76/95/824047695.db2.gz KWRBWOVMRMTUAL-MRVWCRGKSA-N 2 1 299.415 -0.333 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001193892828 824048993 /nfs/dbraw/zinc/04/89/93/824048993.db2.gz UMUOEISIBCONQK-MGPQQGTHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001193892828 824048996 /nfs/dbraw/zinc/04/89/96/824048996.db2.gz UMUOEISIBCONQK-MGPQQGTHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193892828 824049001 /nfs/dbraw/zinc/04/90/01/824049001.db2.gz UMUOEISIBCONQK-MGPQQGTHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002306 824054653 /nfs/dbraw/zinc/05/46/53/824054653.db2.gz QZCUHCFRKQQOPJ-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194002611 824055621 /nfs/dbraw/zinc/05/56/21/824055621.db2.gz VLBRPWMWLNSUFW-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002611 824055629 /nfs/dbraw/zinc/05/56/29/824055629.db2.gz VLBRPWMWLNSUFW-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002611 824055637 /nfs/dbraw/zinc/05/56/37/824055637.db2.gz VLBRPWMWLNSUFW-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002611 824055645 /nfs/dbraw/zinc/05/56/45/824055645.db2.gz VLBRPWMWLNSUFW-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194002611 824055653 /nfs/dbraw/zinc/05/56/53/824055653.db2.gz VLBRPWMWLNSUFW-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194027961 824056633 /nfs/dbraw/zinc/05/66/33/824056633.db2.gz VUZYLKLTOWFPMX-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194027961 824056640 /nfs/dbraw/zinc/05/66/40/824056640.db2.gz VUZYLKLTOWFPMX-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CCOC)C2)C1 ZINC001194153525 824061800 /nfs/dbraw/zinc/06/18/00/824061800.db2.gz FPVRLGMWGWFSKU-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CCOC)C2)C1 ZINC001194153525 824061805 /nfs/dbraw/zinc/06/18/05/824061805.db2.gz FPVRLGMWGWFSKU-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCOC)C2)C1 ZINC001194153525 824061811 /nfs/dbraw/zinc/06/18/11/824061811.db2.gz FPVRLGMWGWFSKU-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCOC)C2)C1 ZINC001194153525 824061813 /nfs/dbraw/zinc/06/18/13/824061813.db2.gz FPVRLGMWGWFSKU-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229088 824065469 /nfs/dbraw/zinc/06/54/69/824065469.db2.gz UTQRXDOXFJIJQN-ZDUSSCGKSA-N 2 1 296.415 -0.120 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229088 824065472 /nfs/dbraw/zinc/06/54/72/824065472.db2.gz UTQRXDOXFJIJQN-ZDUSSCGKSA-N 2 1 296.415 -0.120 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC(=O)N(C)C)C1 ZINC001194284838 824067787 /nfs/dbraw/zinc/06/77/87/824067787.db2.gz OQMQTLPYLJFSBO-ZDUSSCGKSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC(=O)N(C)C)C1 ZINC001194284838 824067791 /nfs/dbraw/zinc/06/77/91/824067791.db2.gz OQMQTLPYLJFSBO-ZDUSSCGKSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CC(=O)N(C)C)C1 ZINC001194284838 824067794 /nfs/dbraw/zinc/06/77/94/824067794.db2.gz OQMQTLPYLJFSBO-ZDUSSCGKSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)N(C)C)C1 ZINC001194284838 824067798 /nfs/dbraw/zinc/06/77/98/824067798.db2.gz OQMQTLPYLJFSBO-ZDUSSCGKSA-N 2 1 298.431 -0.053 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677249 824127988 /nfs/dbraw/zinc/12/79/88/824127988.db2.gz OYGCOJNMAGLJCF-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)CC1 ZINC001195661197 824128087 /nfs/dbraw/zinc/12/80/87/824128087.db2.gz JVODQZQUWDAVKE-CHWSQXEVSA-N 2 1 281.400 -0.101 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708241 824129731 /nfs/dbraw/zinc/12/97/31/824129731.db2.gz JRNNHTWZSRUZQR-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001195860179 824135720 /nfs/dbraw/zinc/13/57/20/824135720.db2.gz SNMYAELFEYZREU-VXGBXAGGSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@H]1O)[NH+](C)C ZINC001196250955 824155121 /nfs/dbraw/zinc/15/51/21/824155121.db2.gz DBNIPPJWEVFVDA-FRRDWIJNSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCN2CCOCC2)C1 ZINC001196939880 824173322 /nfs/dbraw/zinc/17/33/22/824173322.db2.gz MHFXASJNZAWMLL-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196939880 824173323 /nfs/dbraw/zinc/17/33/23/824173323.db2.gz MHFXASJNZAWMLL-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044400 824176523 /nfs/dbraw/zinc/17/65/23/824176523.db2.gz RVLKOILFFHHJSZ-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001197058644 824176971 /nfs/dbraw/zinc/17/69/71/824176971.db2.gz VLOGTDRBVCAPHE-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048651 824177146 /nfs/dbraw/zinc/17/71/46/824177146.db2.gz GVRCCNIHOQZHAJ-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048651 824177148 /nfs/dbraw/zinc/17/71/48/824177148.db2.gz GVRCCNIHOQZHAJ-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@H]1O ZINC001197058425 824177464 /nfs/dbraw/zinc/17/74/64/824177464.db2.gz SSPGBDHETLTRQZ-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CC2)C[C@H]1O ZINC001197535820 824194565 /nfs/dbraw/zinc/19/45/65/824194565.db2.gz FFGIJOITXFCDAT-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001197535820 824194567 /nfs/dbraw/zinc/19/45/67/824194567.db2.gz FFGIJOITXFCDAT-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001197535820 824194569 /nfs/dbraw/zinc/19/45/69/824194569.db2.gz FFGIJOITXFCDAT-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)COC)C[C@H]1O ZINC001198046385 824216227 /nfs/dbraw/zinc/21/62/27/824216227.db2.gz BZFRNUWDUJDPRO-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@H]1O ZINC001198046385 824216232 /nfs/dbraw/zinc/21/62/32/824216232.db2.gz BZFRNUWDUJDPRO-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@H]1O ZINC001198046385 824216238 /nfs/dbraw/zinc/21/62/38/824216238.db2.gz BZFRNUWDUJDPRO-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP Cn1cncc1CCC(=O)N[C@@H]1CN(CCCF)C[C@H]1O ZINC001198285603 824222973 /nfs/dbraw/zinc/22/29/73/824222973.db2.gz MMIYGPBBOJVJOK-CHWSQXEVSA-N 2 1 298.362 -0.126 20 0 CBADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198661488 824235669 /nfs/dbraw/zinc/23/56/69/824235669.db2.gz GGJHHGWKHGZFAO-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198661488 824235674 /nfs/dbraw/zinc/23/56/74/824235674.db2.gz GGJHHGWKHGZFAO-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198661488 824235682 /nfs/dbraw/zinc/23/56/82/824235682.db2.gz GGJHHGWKHGZFAO-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CN(C)c1cc[nH+]cc1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001199348910 824263492 /nfs/dbraw/zinc/26/34/92/824263492.db2.gz YLVBWQOTXXFGSI-UHFFFAOYSA-N 2 1 286.357 -0.492 20 0 CBADMP CN(C)c1cc[nH+]cc1C(=O)n1cnc(C[NH3+])cc1=N ZINC001199352942 824263866 /nfs/dbraw/zinc/26/38/66/824263866.db2.gz KODNZCBZDNEVPW-UHFFFAOYSA-N 2 1 272.312 -0.029 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199788753 824289311 /nfs/dbraw/zinc/28/93/11/824289311.db2.gz YZSSBQPCNQZIQV-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001200122433 824308124 /nfs/dbraw/zinc/30/81/24/824308124.db2.gz DLOZBCLZHNHSGP-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001201402083 824332567 /nfs/dbraw/zinc/33/25/67/824332567.db2.gz ANIXLXYIRZGBBM-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cn(CC(N)=O)nn2)C1 ZINC001202750513 824351715 /nfs/dbraw/zinc/35/17/15/824351715.db2.gz UFPOMWVQAAKZGF-NSHDSACASA-N 2 1 280.376 -0.415 20 0 CBADMP C[NH+](C)CCN1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC001202797400 824351926 /nfs/dbraw/zinc/35/19/26/824351926.db2.gz YHWCJIRCUIGJQP-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCC(=O)N2)CCC1=O ZINC001202876918 824353743 /nfs/dbraw/zinc/35/37/43/824353743.db2.gz BWNMJKIUTCMLTL-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]CCO)CC1 ZINC001203214737 824360595 /nfs/dbraw/zinc/36/05/95/824360595.db2.gz OCLAGDUYUMZHQE-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]CCCO)CC2)C1 ZINC001203699905 824363133 /nfs/dbraw/zinc/36/31/33/824363133.db2.gz WSWCOVIDXMOBML-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CCO)CC2)C1 ZINC001204881949 824372011 /nfs/dbraw/zinc/37/20/11/824372011.db2.gz FNZNPYDQRXFOHQ-CYBMUJFWSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CCO)CC2)C1 ZINC001204881949 824372019 /nfs/dbraw/zinc/37/20/19/824372019.db2.gz FNZNPYDQRXFOHQ-CYBMUJFWSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CCO)CC2)C1 ZINC001204881952 824372311 /nfs/dbraw/zinc/37/23/11/824372311.db2.gz FNZNPYDQRXFOHQ-ZDUSSCGKSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CCO)CC2)C1 ZINC001204881952 824372317 /nfs/dbraw/zinc/37/23/17/824372317.db2.gz FNZNPYDQRXFOHQ-ZDUSSCGKSA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C[NH3+] ZINC001205638841 824381366 /nfs/dbraw/zinc/38/13/66/824381366.db2.gz SMNDFGLENZLIII-NWDGAFQWSA-N 2 1 294.399 -0.109 20 0 CBADMP CC(C)(C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1)N1CCOCC1 ZINC001205946402 824390492 /nfs/dbraw/zinc/39/04/92/824390492.db2.gz LKAVDJLWSPOOFE-VXGBXAGGSA-N 2 1 257.378 -0.509 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206281080 824396058 /nfs/dbraw/zinc/39/60/58/824396058.db2.gz AFRLOGKZNGZZCO-WCQYABFASA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206281081 824396150 /nfs/dbraw/zinc/39/61/50/824396150.db2.gz AFRLOGKZNGZZCO-YPMHNXCESA-N 2 1 296.415 -0.502 20 0 CBADMP [NH3+][C@@H]1C[C@@H](F)CN(Cc2cn3c(n2)C[NH2+]CC3)C1 ZINC001206414679 824399524 /nfs/dbraw/zinc/39/95/24/824399524.db2.gz ORIDWWDTJBXUFC-NXEZZACHSA-N 2 1 253.325 -0.143 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)nc2)C[C@@H]1O ZINC001206519060 824401590 /nfs/dbraw/zinc/40/15/90/824401590.db2.gz HRBHJBXYVJSISH-KBPBESRZSA-N 2 1 292.383 -0.330 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)nc2)C[C@@H]1O ZINC001206519060 824401594 /nfs/dbraw/zinc/40/15/94/824401594.db2.gz HRBHJBXYVJSISH-KBPBESRZSA-N 2 1 292.383 -0.330 20 0 CBADMP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206512634 824401752 /nfs/dbraw/zinc/40/17/52/824401752.db2.gz RYXMOTMOGMDULP-BHDSKKPTSA-N 2 1 293.367 -0.643 20 0 CBADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206586430 824403748 /nfs/dbraw/zinc/40/37/48/824403748.db2.gz ZZKQWCXJZQUDIG-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001206586430 824403754 /nfs/dbraw/zinc/40/37/54/824403754.db2.gz ZZKQWCXJZQUDIG-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001206586430 824403757 /nfs/dbraw/zinc/40/37/57/824403757.db2.gz ZZKQWCXJZQUDIG-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1C ZINC001207440659 824427443 /nfs/dbraw/zinc/42/74/43/824427443.db2.gz BGCIKCZEQWUYOA-GFCCVEGCSA-N 2 1 255.362 -0.225 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1C(C)=O ZINC001207441990 824427879 /nfs/dbraw/zinc/42/78/79/824427879.db2.gz OYFGDVNZHVZOGN-ZDUSSCGKSA-N 2 1 283.372 -0.308 20 0 CBADMP C[NH+]1CCC(CC[NH+]2CC(N3CCNC(=O)C3)C2)CC1 ZINC001207486369 824429138 /nfs/dbraw/zinc/42/91/38/824429138.db2.gz HKQDOXQJOFUTFA-UHFFFAOYSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492173 824454162 /nfs/dbraw/zinc/45/41/62/824454162.db2.gz GFULVNBSQXFCIJ-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492816 824454765 /nfs/dbraw/zinc/45/47/65/824454765.db2.gz QBBWIYIKICNNNR-JHJVBQTASA-N 2 1 287.404 -0.618 20 0 CBADMP Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209419100 824471121 /nfs/dbraw/zinc/47/11/21/824471121.db2.gz IPUGKFUOKCXCEF-NSHDSACASA-N 2 1 295.391 -0.758 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210427183 824479263 /nfs/dbraw/zinc/47/92/63/824479263.db2.gz QHEXMCQKLZALRO-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210427183 824479266 /nfs/dbraw/zinc/47/92/66/824479266.db2.gz QHEXMCQKLZALRO-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342246 824510995 /nfs/dbraw/zinc/51/09/95/824510995.db2.gz NROZEEXMALYEJH-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213718967 824514192 /nfs/dbraw/zinc/51/41/92/824514192.db2.gz IEYYUBSKZJEACG-CHWSQXEVSA-N 2 1 287.404 -0.212 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863727 824515838 /nfs/dbraw/zinc/51/58/38/824515838.db2.gz QZTHLXFUJMOXAH-BFHYXJOUSA-N 2 1 299.415 -0.210 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215536900 824543557 /nfs/dbraw/zinc/54/35/57/824543557.db2.gz YMQXSAZFULDMCD-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215541004 824544037 /nfs/dbraw/zinc/54/40/37/824544037.db2.gz UTCSLWIDLLSSDD-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754052 824548913 /nfs/dbraw/zinc/54/89/13/824548913.db2.gz FSARDYZTUGWCJB-FRRDWIJNSA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001216851662 824550485 /nfs/dbraw/zinc/55/04/85/824550485.db2.gz FOCLYFCDLLBQPX-JHJVBQTASA-N 2 1 296.415 -0.348 20 0 CBADMP C[C@@H]1C[N@@H+](CCc2nnc(C[C@@H](O)C[NH3+])o2)C[C@H](C)O1 ZINC001217695347 824558367 /nfs/dbraw/zinc/55/83/67/824558367.db2.gz RIKHPFNHMFOKTR-OUAUKWLOSA-N 2 1 284.360 -0.417 20 0 CBADMP C[C@@H]1C[N@H+](CCc2nnc(C[C@@H](O)C[NH3+])o2)C[C@H](C)O1 ZINC001217695347 824558373 /nfs/dbraw/zinc/55/83/73/824558373.db2.gz RIKHPFNHMFOKTR-OUAUKWLOSA-N 2 1 284.360 -0.417 20 0 CBADMP C[C@H]1C[NH+](CCc2nnc([C@@H]3C[NH2+]CCN3)o2)C[C@H](C)O1 ZINC001217723577 824558436 /nfs/dbraw/zinc/55/84/36/824558436.db2.gz SEBIURIWXPAPMU-SRVKXCTJSA-N 2 1 295.387 -0.045 20 0 CBADMP C[C@H]1C[NH+](CCc2nnc([C@@H](N)C[NH3+])o2)C[C@H](C)O1 ZINC001217702419 824558708 /nfs/dbraw/zinc/55/87/08/824558708.db2.gz XGHMCZHVBQQCIA-GUBZILKMSA-N 2 1 269.349 -0.320 20 0 CBADMP C[C@@H]1C[N@@H+](CCc2nnc([C@@H]3C[NH2+]CCN3)o2)C[C@H](C)O1 ZINC001217701529 824559416 /nfs/dbraw/zinc/55/94/16/824559416.db2.gz SEBIURIWXPAPMU-TUAOUCFPSA-N 2 1 295.387 -0.045 20 0 CBADMP C[C@@H]1C[N@H+](CCc2nnc([C@@H]3C[NH2+]CCN3)o2)C[C@H](C)O1 ZINC001217701529 824559422 /nfs/dbraw/zinc/55/94/22/824559422.db2.gz SEBIURIWXPAPMU-TUAOUCFPSA-N 2 1 295.387 -0.045 20 0 CBADMP C(O[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217797450 824562283 /nfs/dbraw/zinc/56/22/83/824562283.db2.gz AGDMENBZIJFBER-LXFSFDBISA-N 2 1 281.400 -0.184 20 0 CBADMP C(O[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217797450 824562288 /nfs/dbraw/zinc/56/22/88/824562288.db2.gz AGDMENBZIJFBER-LXFSFDBISA-N 2 1 281.400 -0.184 20 0 CBADMP CCc1nc2c(c(O[C@@H]3CN4C[C@H]3[NH2+]CC4)n1)C[NH2+]C2 ZINC001218111985 824564148 /nfs/dbraw/zinc/56/41/48/824564148.db2.gz HRVHLBGNENUWCD-VXGBXAGGSA-N 2 1 275.356 -0.323 20 0 CBADMP Cc1[nH][nH]c2ncnc(=NC(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)c1-2 ZINC001218528391 824584484 /nfs/dbraw/zinc/58/44/84/824584484.db2.gz SWNCSFJPGLHUTB-JTQLQIEISA-N 2 1 289.343 -0.700 20 0 CBADMP C[NH+]1CCN(c2ncccc2NC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001218555146 824589685 /nfs/dbraw/zinc/58/96/85/824589685.db2.gz FKBZLVWUUMNKOI-LLVKDONJSA-N 2 1 293.371 -0.518 20 0 CBADMP C[NH+]1CCN(c2ncccc2NC(=O)[C@@H](N)C[NH3+])CC1 ZINC001218555794 824590634 /nfs/dbraw/zinc/59/06/34/824590634.db2.gz LMOKNLXSIRTRRH-JTQLQIEISA-N 2 1 278.360 -0.942 20 0 CBADMP C[C@@H]([NH3+])C(=O)Nc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001218572199 824596574 /nfs/dbraw/zinc/59/65/74/824596574.db2.gz GPOSHVXOPFVQQR-SECBINFHSA-N 2 1 264.333 -0.486 20 0 CBADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218583109 824599438 /nfs/dbraw/zinc/59/94/38/824599438.db2.gz ZDVNGILSXJVVBM-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CN(C)c1cc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n[nH]1 ZINC001218743609 824631648 /nfs/dbraw/zinc/63/16/48/824631648.db2.gz VGSRQGKEIQJPAL-LLVKDONJSA-N 2 1 266.349 -0.259 20 0 CBADMP CN(C)c1cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])n[nH]1 ZINC001218742534 824631951 /nfs/dbraw/zinc/63/19/51/824631951.db2.gz HLSJJZSXOILSCR-ZETCQYMHSA-N 2 1 272.378 -0.567 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001219003219 824652300 /nfs/dbraw/zinc/65/23/00/824652300.db2.gz ZTZQEPVBLHONHV-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001219003219 824652305 /nfs/dbraw/zinc/65/23/05/824652305.db2.gz ZTZQEPVBLHONHV-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)C1 ZINC001219537882 824723079 /nfs/dbraw/zinc/72/30/79/824723079.db2.gz RBJMCKZSSKHMRQ-KOVQTIFSSA-N 2 1 288.351 -0.238 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)C1 ZINC001219542357 824724792 /nfs/dbraw/zinc/72/47/92/824724792.db2.gz RBJMCKZSSKHMRQ-PKCZLINISA-N 2 1 288.351 -0.238 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)C1 ZINC001219542356 824725882 /nfs/dbraw/zinc/72/58/82/824725882.db2.gz RBJMCKZSSKHMRQ-LKAMGYQZSA-N 2 1 288.351 -0.238 20 0 CBADMP Cc1cc(CNC(=O)C[NH2+]C2CC[NH2+]CC2)no1 ZINC001219604689 824850712 /nfs/dbraw/zinc/85/07/12/824850712.db2.gz WNHDSLNEVAZOEG-UHFFFAOYSA-N 2 1 252.318 -0.059 20 0 CBADMP C[C@H]1OCC[C@H]1CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219633842 824867599 /nfs/dbraw/zinc/86/75/99/824867599.db2.gz GBNVKMLOIFSGFO-MNOVXSKESA-N 2 1 255.362 -0.131 20 0 CBADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC001219635307 824867879 /nfs/dbraw/zinc/86/78/79/824867879.db2.gz AENZQZYDKUDNBU-SDDRHHMPSA-N 2 1 286.395 -0.125 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C1 ZINC001219641157 824870536 /nfs/dbraw/zinc/87/05/36/824870536.db2.gz GBIQAMQGLKRTSA-ROEYZRMQSA-N 2 1 266.389 -0.430 20 0 CBADMP C[C@@H]([NH3+])c1ncc(C(=O)N[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC001219714789 824885101 /nfs/dbraw/zinc/88/51/01/824885101.db2.gz YEBCYOYOZJUUNP-FSDSQADBSA-N 2 1 256.331 -0.775 20 0 CBADMP O=C(CCc1c[nH]cn1)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001219770155 824892315 /nfs/dbraw/zinc/89/23/15/824892315.db2.gz IZIWUHANZBBFJA-OLZOCXBDSA-N 2 1 278.356 -0.086 20 0 CBADMP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1COCC[NH2+]1 ZINC001219778147 824894392 /nfs/dbraw/zinc/89/43/92/824894392.db2.gz YWXXWMTVHGPESF-NSHDSACASA-N 2 1 253.346 -0.377 20 0 CBADMP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCc1noc2c1CNCC2 ZINC001219811106 824897357 /nfs/dbraw/zinc/89/73/57/824897357.db2.gz KFERVPGUOQWHMW-JTQLQIEISA-N 2 1 295.387 -0.217 20 0 CBADMP CO[C@H](C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814118 824897571 /nfs/dbraw/zinc/89/75/71/824897571.db2.gz TVGLWPGXNZUSBV-BNOWGMLFSA-N 2 1 299.415 -0.333 20 0 CBADMP [NH3+]Cc1ncc(C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)s1 ZINC001219835172 824901457 /nfs/dbraw/zinc/90/14/57/824901457.db2.gz YOPCJQFIGFNVRS-HLTSFMKQSA-N 2 1 282.369 -0.292 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1O)[NH+](C)C ZINC001219868951 824905598 /nfs/dbraw/zinc/90/55/98/824905598.db2.gz DBNIPPJWEVFVDA-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219872554 824905877 /nfs/dbraw/zinc/90/58/77/824905877.db2.gz MEQZVLSMVZAMPB-AWEZNQCLSA-N 3 1 288.395 -0.217 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219872554 824905883 /nfs/dbraw/zinc/90/58/83/824905883.db2.gz MEQZVLSMVZAMPB-AWEZNQCLSA-N 3 1 288.395 -0.217 20 0 CBADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219879405 824907504 /nfs/dbraw/zinc/90/75/04/824907504.db2.gz JVLCCICXMJJHRT-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219879405 824907517 /nfs/dbraw/zinc/90/75/17/824907517.db2.gz JVLCCICXMJJHRT-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001219879405 824907530 /nfs/dbraw/zinc/90/75/30/824907530.db2.gz JVLCCICXMJJHRT-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001219879405 824907540 /nfs/dbraw/zinc/90/75/40/824907540.db2.gz JVLCCICXMJJHRT-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1O ZINC001219896735 824911828 /nfs/dbraw/zinc/91/18/28/824911828.db2.gz HAXAWHYGPNFREJ-NEPJUHHUSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1O ZINC001219896735 824911838 /nfs/dbraw/zinc/91/18/38/824911838.db2.gz HAXAWHYGPNFREJ-NEPJUHHUSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O ZINC001219896735 824911849 /nfs/dbraw/zinc/91/18/49/824911849.db2.gz HAXAWHYGPNFREJ-NEPJUHHUSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001219896735 824911853 /nfs/dbraw/zinc/91/18/53/824911853.db2.gz HAXAWHYGPNFREJ-NEPJUHHUSA-N 2 1 287.404 -0.476 20 0 CBADMP Cc1nonc1CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219948220 824920043 /nfs/dbraw/zinc/92/00/43/824920043.db2.gz OYJOKEWJVUREBZ-UHFFFAOYSA-N 2 1 253.306 -0.664 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001219978589 824927011 /nfs/dbraw/zinc/92/70/11/824927011.db2.gz PIZXTPWWBXPPAJ-NEPJUHHUSA-N 3 1 256.394 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001219978590 824928107 /nfs/dbraw/zinc/92/81/07/824928107.db2.gz PIZXTPWWBXPPAJ-NWDGAFQWSA-N 3 1 256.394 -0.099 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC001219981113 824929302 /nfs/dbraw/zinc/92/93/02/824929302.db2.gz XITADUQXTJOCGN-WOPDTQHZSA-N 2 1 255.362 -0.585 20 0 CBADMP CN1C[C@H](NC(=O)C[NH2+]C2CC[NH2+]CC2)CCC1=O ZINC001220007589 824932364 /nfs/dbraw/zinc/93/23/64/824932364.db2.gz QDLGTVHHVIITRT-LLVKDONJSA-N 2 1 268.361 -0.935 20 0 CBADMP C[NH2+]CCNC(=O)[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001220051311 824945090 /nfs/dbraw/zinc/94/50/90/824945090.db2.gz UKXWGFPOZFOFMF-UONOGXRCSA-N 2 1 277.368 -0.043 20 0 CBADMP C[NH2+]CCNC(=O)[C@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC001220051311 824945097 /nfs/dbraw/zinc/94/50/97/824945097.db2.gz UKXWGFPOZFOFMF-UONOGXRCSA-N 2 1 277.368 -0.043 20 0 CBADMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCc1nn[nH]n1 ZINC001220074280 824950439 /nfs/dbraw/zinc/95/04/39/824950439.db2.gz UAXIFYKEIBINGM-VIFPVBQESA-N 2 1 269.353 -0.689 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220071686 824951846 /nfs/dbraw/zinc/95/18/46/824951846.db2.gz NKIFSOUVLBEYPU-LLVKDONJSA-N 3 1 275.356 -0.603 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001220157067 824973187 /nfs/dbraw/zinc/97/31/87/824973187.db2.gz WDBYCDDSQLRLDB-NTZNESFSSA-N 2 1 252.362 -0.852 20 0 CBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001220160022 824975334 /nfs/dbraw/zinc/97/53/34/824975334.db2.gz VFPVZYVSUNURND-GVXVVHGQSA-N 2 1 284.404 -0.314 20 0 CBADMP O=C(NCC1([NH+]2CCCC2)COC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001220197709 824984992 /nfs/dbraw/zinc/98/49/92/824984992.db2.gz PCWKKNGSAYRDEE-GDNZZTSVSA-N 2 1 265.357 -0.567 20 0 CBADMP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227068 824988932 /nfs/dbraw/zinc/98/89/32/824988932.db2.gz GPINUXPNSQYCMZ-XQQFMLRXSA-N 2 1 299.415 -0.476 20 0 CBADMP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227067 824989249 /nfs/dbraw/zinc/98/92/49/824989249.db2.gz GPINUXPNSQYCMZ-UPJWGTAASA-N 2 1 299.415 -0.476 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220228972 824989578 /nfs/dbraw/zinc/98/95/78/824989578.db2.gz GYJDHDNEIVEUJD-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001220254082 824995558 /nfs/dbraw/zinc/99/55/58/824995558.db2.gz JDMWXCKOWSLOEV-NSHDSACASA-N 2 1 267.377 -0.017 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220251803 824996114 /nfs/dbraw/zinc/99/61/14/824996114.db2.gz FYTNKMJKHXIOCQ-QWHCGFSZSA-N 3 1 268.405 -0.086 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220254746 824996248 /nfs/dbraw/zinc/99/62/48/824996248.db2.gz VZWZSWMMJBIHAY-ZIAGYGMSSA-N 3 1 297.447 -0.663 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220254746 824996250 /nfs/dbraw/zinc/99/62/50/824996250.db2.gz VZWZSWMMJBIHAY-ZIAGYGMSSA-N 2 1 297.447 -0.663 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220254746 824996251 /nfs/dbraw/zinc/99/62/51/824996251.db2.gz VZWZSWMMJBIHAY-ZIAGYGMSSA-N 2 1 297.447 -0.663 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220254744 824997114 /nfs/dbraw/zinc/99/71/14/824997114.db2.gz VZWZSWMMJBIHAY-KGLIPLIRSA-N 3 1 297.447 -0.663 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220254744 824997118 /nfs/dbraw/zinc/99/71/18/824997118.db2.gz VZWZSWMMJBIHAY-KGLIPLIRSA-N 2 1 297.447 -0.663 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220254744 824997122 /nfs/dbraw/zinc/99/71/22/824997122.db2.gz VZWZSWMMJBIHAY-KGLIPLIRSA-N 2 1 297.447 -0.663 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(CC[NH3+])c1cccnc1 ZINC001220260620 824998228 /nfs/dbraw/zinc/99/82/28/824998228.db2.gz BCDWHYPJWVONCM-NSHDSACASA-N 2 1 280.328 -0.346 20 0 CBADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273330 825001911 /nfs/dbraw/zinc/00/19/11/825001911.db2.gz HQINUROCFRLNHG-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001220277148 825002844 /nfs/dbraw/zinc/00/28/44/825002844.db2.gz SHXIGJUMKYYDFK-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276489 825003659 /nfs/dbraw/zinc/00/36/59/825003659.db2.gz CIMCZZHZHMJBBI-TUAOUCFPSA-N 2 1 273.377 -0.866 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCCc1cn2ccccc2n1 ZINC001220278523 825005326 /nfs/dbraw/zinc/00/53/26/825005326.db2.gz VYZZQWZXTALHBL-NSHDSACASA-N 2 1 261.329 -0.331 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC001220307383 825009992 /nfs/dbraw/zinc/00/99/92/825009992.db2.gz XYNRJUCYYSWEGB-CQSZACIVSA-N 2 1 268.405 -0.260 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC001220307381 825010686 /nfs/dbraw/zinc/01/06/86/825010686.db2.gz XYNRJUCYYSWEGB-AWEZNQCLSA-N 2 1 268.405 -0.260 20 0 CBADMP C[C@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)c1cnccn1 ZINC001220368790 825021289 /nfs/dbraw/zinc/02/12/89/825021289.db2.gz MNRCBCBYQKAJJD-JTQLQIEISA-N 2 1 263.345 -0.005 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O)[NH+](C)C ZINC001220377988 825024851 /nfs/dbraw/zinc/02/48/51/825024851.db2.gz WGGRWNGNLUKYRV-AGIUHOORSA-N 2 1 269.389 -0.102 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)[NH+](C)C ZINC001220377565 825025255 /nfs/dbraw/zinc/02/52/55/825025255.db2.gz DJRAFIHBRAWUSO-WOPDTQHZSA-N 2 1 275.368 -0.153 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220381355 825025474 /nfs/dbraw/zinc/02/54/74/825025474.db2.gz OSVSQQPIBOIPLW-WOPDTQHZSA-N 2 1 257.378 -0.102 20 0 CBADMP N[C@@H](CC[NH3+])C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001220429006 825036624 /nfs/dbraw/zinc/03/66/24/825036624.db2.gz JEXMGHXEXWPSSW-LJISPDSOSA-N 2 1 288.395 -0.091 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001220429006 825036631 /nfs/dbraw/zinc/03/66/31/825036631.db2.gz JEXMGHXEXWPSSW-LJISPDSOSA-N 3 1 288.395 -0.091 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001220429006 825036637 /nfs/dbraw/zinc/03/66/37/825036637.db2.gz JEXMGHXEXWPSSW-LJISPDSOSA-N 3 1 288.395 -0.091 20 0 CBADMP [NH3+][C@@H](C(=O)NCc1ccc2[nH]nnc2c1)C1CC[NH2+]CC1 ZINC001220426847 825036926 /nfs/dbraw/zinc/03/69/26/825036926.db2.gz QZWZUUTXBDFMOY-CYBMUJFWSA-N 2 1 288.355 -0.099 20 0 CBADMP [NH3+][C@@H](C(=O)NCc1ccc2nn[nH]c2c1)C1CC[NH2+]CC1 ZINC001220426847 825036930 /nfs/dbraw/zinc/03/69/30/825036930.db2.gz QZWZUUTXBDFMOY-CYBMUJFWSA-N 2 1 288.355 -0.099 20 0 CBADMP O=C(NC1CC[NH+](CCF)CC1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220435152 825038273 /nfs/dbraw/zinc/03/82/73/825038273.db2.gz AEYGRVUQZDKQAW-QWRGUYRKSA-N 2 1 259.325 -0.741 20 0 CBADMP O=C(NC1CC[NH+](CCF)CC1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220436259 825038465 /nfs/dbraw/zinc/03/84/65/825038465.db2.gz SSWVOYXJRCTQHZ-BXUZGUMPSA-N 2 1 284.379 -0.512 20 0 CBADMP [NH3+]C1(CNC(=O)C[NH2+]C2CC[NH2+]CC2)CCCC1 ZINC001220495061 825049659 /nfs/dbraw/zinc/04/96/59/825049659.db2.gz WUNWZEWHKKSQRO-UHFFFAOYSA-N 3 1 254.378 -0.284 20 0 CBADMP C[C@H]1COCC[C@@H]1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220566019 825063809 /nfs/dbraw/zinc/06/38/09/825063809.db2.gz XLFXCKCFZSQQJE-JQWIXIFHSA-N 2 1 255.362 -0.131 20 0 CBADMP CC(C)(C)OC[C@H]([NH3+])CC(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571274 825066411 /nfs/dbraw/zinc/06/64/11/825066411.db2.gz NIXZTOPFOCODJD-GFCCVEGCSA-N 2 1 299.415 -0.033 20 0 CBADMP CC(C)(O)CCCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220573262 825066599 /nfs/dbraw/zinc/06/65/99/825066599.db2.gz JLMYJTFTUSFVSK-UHFFFAOYSA-N 2 1 257.378 -0.005 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@@H]1O ZINC001220584562 825070597 /nfs/dbraw/zinc/07/05/97/825070597.db2.gz CLDGGBGZAMSFQG-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@@H]1O ZINC001220584563 825070809 /nfs/dbraw/zinc/07/08/09/825070809.db2.gz CLDGGBGZAMSFQG-XQQFMLRXSA-N 2 1 287.404 -0.476 20 0 CBADMP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1COC[NH2+]1 ZINC001220649141 825081402 /nfs/dbraw/zinc/08/14/02/825081402.db2.gz SPJMCDHJGRGGTK-ZDUSSCGKSA-N 2 1 290.367 -0.342 20 0 CBADMP [NH3+]CCCNCC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680532 825085155 /nfs/dbraw/zinc/08/51/55/825085155.db2.gz HLAUZAWWORKRAM-GDNZZTSVSA-N 2 1 254.378 -0.286 20 0 CBADMP C[C@@](CO)(NC(=O)[C@@H]([NH3+])CC[NH3+])c1ccccc1 ZINC001220710934 825091446 /nfs/dbraw/zinc/09/14/46/825091446.db2.gz FZIQAGYCFDBDRR-AAEUAGOBSA-N 2 1 251.330 -0.314 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220798890 825103499 /nfs/dbraw/zinc/10/34/99/825103499.db2.gz KRXAWHIFRNZMBB-OLZOCXBDSA-N 2 1 287.404 -0.738 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806479 825104327 /nfs/dbraw/zinc/10/43/27/825104327.db2.gz DOYOSURYVMOCSI-XQQFMLRXSA-N 2 1 287.404 -0.740 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)C1 ZINC001220806045 825104730 /nfs/dbraw/zinc/10/47/30/825104730.db2.gz XEXRLXJMJRDRRX-KZVJFYERSA-N 2 1 280.294 -0.668 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001220817029 825106369 /nfs/dbraw/zinc/10/63/69/825106369.db2.gz LINZMLABTYDELA-NEPJUHHUSA-N 2 1 275.368 -0.151 20 0 CBADMP CCOC(=O)[C@H](C)CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220848825 825112673 /nfs/dbraw/zinc/11/26/73/825112673.db2.gz JTCUAOPMOQZOTR-SNVBAGLBSA-N 2 1 271.361 -0.357 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCCc1c[nH]c2cc[nH+]cc12 ZINC001220865661 825115425 /nfs/dbraw/zinc/11/54/25/825115425.db2.gz GQWQMAPRSKOJQD-NSHDSACASA-N 3 1 261.329 -0.102 20 0 CBADMP [NH3+]CCCCCCCC(=O)NCCN1CC[NH2+]CC1=O ZINC001220874135 825118367 /nfs/dbraw/zinc/11/83/67/825118367.db2.gz AJUNTDCLQORQCQ-UHFFFAOYSA-N 2 1 284.404 -0.166 20 0 CBADMP CC[C@H](C)[C@@H]([NH3+])CC(=O)NCCN1CC[NH2+]CC1=O ZINC001220875079 825118496 /nfs/dbraw/zinc/11/84/96/825118496.db2.gz RWCODMKINCRBAP-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP C[NH2+][C@@H](CC(C)C)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874181 825118544 /nfs/dbraw/zinc/11/85/44/825118544.db2.gz CJUOUJFJYVSYGC-NSHDSACASA-N 2 1 270.377 -0.832 20 0 CBADMP CC[C@@]1(C(=O)NCCN2CC[NH2+]CC2=O)CCC[NH2+]C1 ZINC001220874169 825119101 /nfs/dbraw/zinc/11/91/01/825119101.db2.gz BQESTPPMFVZWKL-CQSZACIVSA-N 2 1 282.388 -0.686 20 0 CBADMP C[N@H+]1C[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220884371 825120162 /nfs/dbraw/zinc/12/01/62/825120162.db2.gz APJNGKCXBMGUMX-OLZOCXBDSA-N 3 1 296.415 -0.693 20 0 CBADMP CN1C[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220884371 825120167 /nfs/dbraw/zinc/12/01/67/825120167.db2.gz APJNGKCXBMGUMX-OLZOCXBDSA-N 2 1 296.415 -0.693 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC001220889325 825121014 /nfs/dbraw/zinc/12/10/14/825121014.db2.gz IRJJIHFXOIYCAH-WDEREUQCSA-N 2 1 269.345 -0.651 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC001220889325 825121016 /nfs/dbraw/zinc/12/10/16/825121016.db2.gz IRJJIHFXOIYCAH-WDEREUQCSA-N 2 1 269.345 -0.651 20 0 CBADMP O=C(N[C@H]1CC[N@H+](Cc2cccnc2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220915339 825123781 /nfs/dbraw/zinc/12/37/81/825123781.db2.gz XAXNESQLCVNWMH-IHRRRGAJSA-N 2 1 290.367 -0.505 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](Cc2cccnc2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220915339 825123784 /nfs/dbraw/zinc/12/37/84/825123784.db2.gz XAXNESQLCVNWMH-IHRRRGAJSA-N 2 1 290.367 -0.505 20 0 CBADMP O=C(N[C@H]1CC[N@H+](Cc2cccnc2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220915338 825123827 /nfs/dbraw/zinc/12/38/27/825123827.db2.gz XAXNESQLCVNWMH-BFHYXJOUSA-N 2 1 290.367 -0.505 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](Cc2cccnc2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220915338 825123829 /nfs/dbraw/zinc/12/38/29/825123829.db2.gz XAXNESQLCVNWMH-BFHYXJOUSA-N 2 1 290.367 -0.505 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCC1CCN(c2cnccn2)CC1 ZINC001220931845 825123869 /nfs/dbraw/zinc/12/38/69/825123869.db2.gz BIKTVBJVTLORKE-LBPRGKRZSA-N 2 1 292.387 -0.515 20 0 CBADMP NC[C@@H]([NH3+])c1ccc(C(=O)NCCO[C@@H]2CC[NH2+]C2)cc1 ZINC001220939828 825126706 /nfs/dbraw/zinc/12/67/06/825126706.db2.gz XNRRWBYINGBTNM-ZIAGYGMSSA-N 2 1 292.383 -0.247 20 0 CBADMP NC[C@H]([NH3+])c1ccc(C(=O)NCCO[C@H]2CC[NH2+]C2)cc1 ZINC001220939825 825127100 /nfs/dbraw/zinc/12/71/00/825127100.db2.gz XNRRWBYINGBTNM-KBPBESRZSA-N 2 1 292.383 -0.247 20 0 CBADMP CC1(C)C[C@H](CNC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CCO1 ZINC001220952787 825128719 /nfs/dbraw/zinc/12/87/19/825128719.db2.gz CZMUYOIUEOUXDN-MXWKQRLJSA-N 2 1 255.362 -0.003 20 0 CBADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976437 825131973 /nfs/dbraw/zinc/13/19/73/825131973.db2.gz ZHKPMVDEESNCCV-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976437 825131975 /nfs/dbraw/zinc/13/19/75/825131975.db2.gz ZHKPMVDEESNCCV-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976437 825131980 /nfs/dbraw/zinc/13/19/80/825131980.db2.gz ZHKPMVDEESNCCV-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976411 825132866 /nfs/dbraw/zinc/13/28/66/825132866.db2.gz YKMQYQIVTPOCQV-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976411 825132868 /nfs/dbraw/zinc/13/28/68/825132868.db2.gz YKMQYQIVTPOCQV-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976411 825132874 /nfs/dbraw/zinc/13/28/74/825132874.db2.gz YKMQYQIVTPOCQV-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP COCCC1([NH3+])CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001221134268 825147244 /nfs/dbraw/zinc/14/72/44/825147244.db2.gz SLXOCAWWZYFAJP-UHFFFAOYSA-N 3 1 298.431 -0.316 20 0 CBADMP CC(C)(C)[NH+]1CC(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001221193573 825152965 /nfs/dbraw/zinc/15/29/65/825152965.db2.gz CGTLRDLMCBIJBK-ZMLRMANQSA-N 2 1 266.389 -0.465 20 0 CBADMP CC(C)(C)[NH+]1CC(NC(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001221193788 825153581 /nfs/dbraw/zinc/15/35/81/825153581.db2.gz FVIPIBXMHITUJV-ZDUSSCGKSA-N 2 1 254.378 -0.334 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001221241423 825157760 /nfs/dbraw/zinc/15/77/60/825157760.db2.gz VDMLBDROOUWYGD-VHDGCEQUSA-N 3 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001221241091 825158810 /nfs/dbraw/zinc/15/88/10/825158810.db2.gz NJWJLPNQMVSITE-YPMHNXCESA-N 2 1 265.361 -0.120 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)CNC2CC[NH2+]CC2)C1 ZINC001221241491 825158895 /nfs/dbraw/zinc/15/88/95/825158895.db2.gz WIASMIFXOJSNQY-CQSZACIVSA-N 2 1 268.405 -0.072 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001221241088 825159127 /nfs/dbraw/zinc/15/91/27/825159127.db2.gz NJWJLPNQMVSITE-AAEUAGOBSA-N 2 1 265.361 -0.120 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC001221243523 825160091 /nfs/dbraw/zinc/16/00/91/825160091.db2.gz KAGADXUKTAGTPE-AAEUAGOBSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221244018 825160704 /nfs/dbraw/zinc/16/07/04/825160704.db2.gz OTYICEIHWCEICA-TZMCWYRMSA-N 3 1 268.405 -0.086 20 0 CBADMP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221254658 825162495 /nfs/dbraw/zinc/16/24/95/825162495.db2.gz RXDVEYIULBNEKH-RYUDHWBXSA-N 2 1 284.404 -0.456 20 0 CBADMP COC1CC(CNC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001221366485 825175771 /nfs/dbraw/zinc/17/57/71/825175771.db2.gz IDDIFFWDFPJAIG-UHFFFAOYSA-N 2 1 255.362 -0.131 20 0 CBADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001221359575 825176734 /nfs/dbraw/zinc/17/67/34/825176734.db2.gz XMOBXDFCHKFMEY-AGIUHOORSA-N 2 1 299.415 -0.570 20 0 CBADMP NC1=CC=C(C2CCN(C(=O)[C@@H]3COC[NH2+]3)CC2)[NH2+]C1 ZINC001221391683 825180038 /nfs/dbraw/zinc/18/00/38/825180038.db2.gz OOUBOZSHGQUPIW-ZDUSSCGKSA-N 2 1 278.356 -0.499 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001221388313 825180510 /nfs/dbraw/zinc/18/05/10/825180510.db2.gz BQQSPXRRVJCZEF-GFCCVEGCSA-N 4 1 298.435 -0.623 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001221389210 825180691 /nfs/dbraw/zinc/18/06/91/825180691.db2.gz IYWDHBLHKLPXLT-JTQLQIEISA-N 4 1 272.397 -0.884 20 0 CBADMP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001221403266 825183219 /nfs/dbraw/zinc/18/32/19/825183219.db2.gz ATZGFLXWDRUGGI-NWDGAFQWSA-N 3 1 266.345 -0.513 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CC[NH3+])[C@@H](C)C1 ZINC001221405855 825183713 /nfs/dbraw/zinc/18/37/13/825183713.db2.gz CDAKTLGHZZWXGU-SDDRHHMPSA-N 2 1 256.394 -0.103 20 0 CBADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])[C@@H](C)C1 ZINC001221405855 825183717 /nfs/dbraw/zinc/18/37/17/825183717.db2.gz CDAKTLGHZZWXGU-SDDRHHMPSA-N 3 1 256.394 -0.103 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])[C@@H](C)C1 ZINC001221405855 825183720 /nfs/dbraw/zinc/18/37/20/825183720.db2.gz CDAKTLGHZZWXGU-SDDRHHMPSA-N 3 1 256.394 -0.103 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)[C@H](C)C1 ZINC001221405897 825184387 /nfs/dbraw/zinc/18/43/87/825184387.db2.gz CKYDREAEFBBDMV-NDBYEHHHSA-N 2 1 268.405 -0.089 20 0 CBADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)[C@H](C)C1 ZINC001221405897 825184390 /nfs/dbraw/zinc/18/43/90/825184390.db2.gz CKYDREAEFBBDMV-NDBYEHHHSA-N 2 1 268.405 -0.089 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)[C@H](C)C1 ZINC001221405897 825184394 /nfs/dbraw/zinc/18/43/94/825184394.db2.gz CKYDREAEFBBDMV-NDBYEHHHSA-N 2 1 268.405 -0.089 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[C@H](O)C[NH3+])[C@H](C)C1 ZINC001221409967 825185133 /nfs/dbraw/zinc/18/51/33/825185133.db2.gz WCZYOOXANZLJFY-GRYCIOLGSA-N 2 1 257.378 -0.069 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221789477 825194144 /nfs/dbraw/zinc/19/41/44/825194144.db2.gz YUAORWMGRFRZDO-JHJVBQTASA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221789477 825194147 /nfs/dbraw/zinc/19/41/47/825194147.db2.gz YUAORWMGRFRZDO-JHJVBQTASA-N 2 1 294.399 -0.641 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21 ZINC001222053137 825199511 /nfs/dbraw/zinc/19/95/11/825199511.db2.gz GRXXRUOYSNNRCZ-CHWSQXEVSA-N 2 1 269.389 -0.148 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001222053137 825199516 /nfs/dbraw/zinc/19/95/16/825199516.db2.gz GRXXRUOYSNNRCZ-CHWSQXEVSA-N 2 1 269.389 -0.148 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001222053137 825199521 /nfs/dbraw/zinc/19/95/21/825199521.db2.gz GRXXRUOYSNNRCZ-CHWSQXEVSA-N 2 1 269.389 -0.148 20 0 CBADMP C(C[N@H+]1CCNC2(CC[NH2+]CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC001222086242 825199649 /nfs/dbraw/zinc/19/96/49/825199649.db2.gz USQNBQKHNMLMIJ-CYBMUJFWSA-N 3 1 268.405 -0.608 20 0 CBADMP COC(=O)[C@@H](C)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085944 825200039 /nfs/dbraw/zinc/20/00/39/825200039.db2.gz PRZKVFVFSMLESM-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP Cc1nonc1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222109527 825200306 /nfs/dbraw/zinc/20/03/06/825200306.db2.gz JMWFJXVNHVBGIW-UHFFFAOYSA-N 2 1 251.334 -0.095 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCN1C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001222414571 825210162 /nfs/dbraw/zinc/21/01/62/825210162.db2.gz MMPMZOVMVBUXHS-AXFHLTTASA-N 2 1 291.342 -0.076 20 0 CBADMP O=c1[nH]cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(=O)[nH]1 ZINC001222507339 825213915 /nfs/dbraw/zinc/21/39/15/825213915.db2.gz SQLKGFJGXJERFQ-QWRGUYRKSA-N 2 1 279.344 -0.586 20 0 CBADMP O=C1NCC[C@@]12C[N@@H+](CCCCO)CC21C[NH2+]C1 ZINC001222520083 825215354 /nfs/dbraw/zinc/21/53/54/825215354.db2.gz ATISVGTWHWPZHQ-CYBMUJFWSA-N 2 1 253.346 -0.830 20 0 CBADMP O=C1NCC[C@]12C[N@@H+](CCCCO)CC21C[NH2+]C1 ZINC001222520084 825215397 /nfs/dbraw/zinc/21/53/97/825215397.db2.gz ATISVGTWHWPZHQ-ZDUSSCGKSA-N 2 1 253.346 -0.830 20 0 CBADMP C([C@H]1[C@@H]2C[NH2+]C[C@H]12)N1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001222668418 825219814 /nfs/dbraw/zinc/21/98/14/825219814.db2.gz KFLPCLKJNGJMNY-CBBWQLFWSA-N 2 1 264.417 -0.131 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001223387598 825229347 /nfs/dbraw/zinc/22/93/47/825229347.db2.gz HLKCDPYPIIQASJ-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001223387598 825229357 /nfs/dbraw/zinc/22/93/57/825229357.db2.gz HLKCDPYPIIQASJ-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001226554882 825280517 /nfs/dbraw/zinc/28/05/17/825280517.db2.gz SSOVXFJJUBDUSG-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001226722417 825288138 /nfs/dbraw/zinc/28/81/38/825288138.db2.gz ILYXBKGZUUWUQN-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001226722417 825288145 /nfs/dbraw/zinc/28/81/45/825288145.db2.gz ILYXBKGZUUWUQN-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228879912 825323415 /nfs/dbraw/zinc/32/34/15/825323415.db2.gz XYEACMXHUNCFEU-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CCN(C)C(=O)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228992349 825326465 /nfs/dbraw/zinc/32/64/65/825326465.db2.gz PTNJHMZPGMYDBN-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[NH+](C)CCC(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001228998819 825326737 /nfs/dbraw/zinc/32/67/37/825326737.db2.gz JDOBVLZBQVVCTF-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC1CC[NH+](CCCO)CC1 ZINC001229634294 825333966 /nfs/dbraw/zinc/33/39/66/825333966.db2.gz SCQITJJNSZKXOO-UHFFFAOYSA-N 2 1 299.415 -0.328 20 0 CBADMP COC[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230262768 825344064 /nfs/dbraw/zinc/34/40/64/825344064.db2.gz RGRYDFLIWINSAN-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP Cn1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(=O)n(C)c1=O ZINC001231770183 825415753 /nfs/dbraw/zinc/41/57/53/825415753.db2.gz QMGWCTIGYYTYNB-NEPJUHHUSA-N 2 1 292.383 -0.533 20 0 CBADMP Cn1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(=O)n(C)c1=O ZINC001231770183 825415757 /nfs/dbraw/zinc/41/57/57/825415757.db2.gz QMGWCTIGYYTYNB-NEPJUHHUSA-N 2 1 292.383 -0.533 20 0 CBADMP Cn1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(=O)n(C)c1=O ZINC001231770183 825415759 /nfs/dbraw/zinc/41/57/59/825415759.db2.gz QMGWCTIGYYTYNB-NEPJUHHUSA-N 2 1 292.383 -0.533 20 0 CBADMP O=c1[nH]cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(=O)[nH]1 ZINC001234989752 825479726 /nfs/dbraw/zinc/47/97/26/825479726.db2.gz QZOGMHNALAGXQK-LBPRGKRZSA-N 2 1 265.317 -0.975 20 0 CBADMP COc1nccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)n1 ZINC001234987116 825480112 /nfs/dbraw/zinc/48/01/12/825480112.db2.gz MMOQSGNRWYWHNB-CYBMUJFWSA-N 2 1 263.345 -0.378 20 0 CBADMP CN(C)c1ncc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cn1 ZINC001234978891 825480898 /nfs/dbraw/zinc/48/08/98/825480898.db2.gz BMTSZKRMUHKDDU-CQSZACIVSA-N 2 1 276.388 -0.320 20 0 CBADMP COc1ncc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cn1 ZINC001234979393 825481096 /nfs/dbraw/zinc/48/10/96/825481096.db2.gz DCCROZVQQQZZPI-CYBMUJFWSA-N 2 1 263.345 -0.378 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001234980179 825481115 /nfs/dbraw/zinc/48/11/15/825481115.db2.gz UZTSJRBNGHPUOP-FQIARQCESA-N 2 1 284.356 -0.625 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001234980179 825481118 /nfs/dbraw/zinc/48/11/18/825481118.db2.gz UZTSJRBNGHPUOP-FQIARQCESA-N 2 1 284.356 -0.625 20 0 CBADMP N[C@H]1NC(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)=CS1 ZINC001234982024 825481281 /nfs/dbraw/zinc/48/12/81/825481281.db2.gz QXTWPZSIQCVPLG-QWRGUYRKSA-N 2 1 255.391 -0.956 20 0 CBADMP COC(=O)c1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)nn1C ZINC001234992713 825482364 /nfs/dbraw/zinc/48/23/64/825482364.db2.gz SNNFUVJPJUKJPP-AWEZNQCLSA-N 2 1 293.371 -0.656 20 0 CBADMP Cc1ncc(CO)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1O ZINC001234992330 825482950 /nfs/dbraw/zinc/48/29/50/825482950.db2.gz YLXXNYGZIQDXGU-HNNXBMFYSA-N 2 1 292.383 -0.275 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)[C@@H](O)[C@@H]2O1 ZINC001235031607 825484429 /nfs/dbraw/zinc/48/44/29/825484429.db2.gz LTJQELADTJZGME-KBRXKUPHSA-N 2 1 298.383 -0.091 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)[C@@H](O)[C@@H]2O1 ZINC001235031607 825484430 /nfs/dbraw/zinc/48/44/30/825484430.db2.gz LTJQELADTJZGME-KBRXKUPHSA-N 2 1 298.383 -0.091 20 0 CBADMP OCCCC[N@@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001235198836 825488247 /nfs/dbraw/zinc/48/82/47/825488247.db2.gz UKLKNMGMYUPPRL-CYBMUJFWSA-N 2 1 258.362 -0.160 20 0 CBADMP OCCCC[N@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001235198836 825488250 /nfs/dbraw/zinc/48/82/50/825488250.db2.gz UKLKNMGMYUPPRL-CYBMUJFWSA-N 2 1 258.362 -0.160 20 0 CBADMP COCCN1CC[N@H+](C)C2(CCN(C[C@H](C)[NH3+])CC2)C1=O ZINC001235453757 825496630 /nfs/dbraw/zinc/49/66/30/825496630.db2.gz LHSRNZIACRIGLO-ZDUSSCGKSA-N 2 1 298.431 -0.411 20 0 CBADMP COCCN1CC[N@@H+](C)C2(CCN(C[C@H](C)[NH3+])CC2)C1=O ZINC001235453757 825496633 /nfs/dbraw/zinc/49/66/33/825496633.db2.gz LHSRNZIACRIGLO-ZDUSSCGKSA-N 2 1 298.431 -0.411 20 0 CBADMP CNC(=O)C[N@H+]1CCCC12CCN(CC[NH3+])CC2 ZINC001235486726 825497654 /nfs/dbraw/zinc/49/76/54/825497654.db2.gz DGCYQQCPJNIFKV-UHFFFAOYSA-N 2 1 254.378 -0.379 20 0 CBADMP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC001235542362 825501420 /nfs/dbraw/zinc/50/14/20/825501420.db2.gz QFSNHFRWUOHQNY-SCRDCRAPSA-N 2 1 285.388 -0.613 20 0 CBADMP C[C@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC001235542362 825501423 /nfs/dbraw/zinc/50/14/23/825501423.db2.gz QFSNHFRWUOHQNY-SCRDCRAPSA-N 2 1 285.388 -0.613 20 0 CBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(CC[NH3+])C2)C1 ZINC001235520431 825501724 /nfs/dbraw/zinc/50/17/24/825501724.db2.gz PPDRFFSQIWYZTF-AWEZNQCLSA-N 2 1 284.404 -0.895 20 0 CBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(CC[NH3+])C2)C1 ZINC001235520431 825501733 /nfs/dbraw/zinc/50/17/33/825501733.db2.gz PPDRFFSQIWYZTF-AWEZNQCLSA-N 2 1 284.404 -0.895 20 0 CBADMP C(C1CC[NH2+]CC1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235864427 825515687 /nfs/dbraw/zinc/51/56/87/825515687.db2.gz GNVLQDRDQQPUQR-UHFFFAOYSA-N 3 1 269.437 -0.930 20 0 CBADMP C([C@@H]1CCOC1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235864090 825515774 /nfs/dbraw/zinc/51/57/74/825515774.db2.gz CHCMFKVWZOBYGF-ZDUSSCGKSA-N 2 1 256.394 -0.893 20 0 CBADMP C(c1n[nH]c2c1CCC2)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870607 825516905 /nfs/dbraw/zinc/51/69/05/825516905.db2.gz KWAOAEPQXGTRNF-UHFFFAOYSA-N 2 1 292.431 -0.517 20 0 CBADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)O1 ZINC001235927514 825518579 /nfs/dbraw/zinc/51/85/79/825518579.db2.gz IJJDGPNSPKMMEO-DCAQKATOSA-N 2 1 253.346 -0.221 20 0 CBADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)O1 ZINC001235927514 825518583 /nfs/dbraw/zinc/51/85/83/825518583.db2.gz IJJDGPNSPKMMEO-DCAQKATOSA-N 2 1 253.346 -0.221 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@H](C)[NH3+])C[C@H]1C2 ZINC001236024118 825519624 /nfs/dbraw/zinc/51/96/24/825519624.db2.gz VYPPDCOHWDMPLZ-XJGUIPMBSA-N 3 1 267.373 -0.336 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C[C@H](C)[NH3+])C[C@H]1C2 ZINC001236024118 825519627 /nfs/dbraw/zinc/51/96/27/825519627.db2.gz VYPPDCOHWDMPLZ-XJGUIPMBSA-N 2 1 267.373 -0.336 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@H](C)N)C[C@H]1C2 ZINC001236024118 825519630 /nfs/dbraw/zinc/51/96/30/825519630.db2.gz VYPPDCOHWDMPLZ-XJGUIPMBSA-N 2 1 267.373 -0.336 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@H](C)N)C[C@H]1C2 ZINC001236024118 825519632 /nfs/dbraw/zinc/51/96/32/825519632.db2.gz VYPPDCOHWDMPLZ-XJGUIPMBSA-N 2 1 267.373 -0.336 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCN1Cc1[nH]c(C)[nH+]c1C ZINC001236056369 825521821 /nfs/dbraw/zinc/52/18/21/825521821.db2.gz DWNAKJGVSAPAFM-NSHDSACASA-N 2 1 252.318 -0.027 20 0 CBADMP COC(=O)[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236272916 825525760 /nfs/dbraw/zinc/52/57/60/825525760.db2.gz AHYSHGNWZVJFEM-GRYCIOLGSA-N 2 1 285.388 -0.077 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[NH+]3CCC[NH2+]CCC3)[C@@H](O)[C@@H]2O1 ZINC001236240981 825525969 /nfs/dbraw/zinc/52/59/69/825525969.db2.gz VUAMBCSKGUYJMA-RNJOBUHISA-N 2 1 286.372 -0.091 20 0 CBADMP COC(=O)[C@@H]1CN(CC(C)(C)[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC001236344573 825528045 /nfs/dbraw/zinc/52/80/45/825528045.db2.gz RLPORHOMIBWCDF-VXGBXAGGSA-N 2 1 285.388 -0.471 20 0 CBADMP C[C@H](N)C[N@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236399205 825532717 /nfs/dbraw/zinc/53/27/17/825532717.db2.gz NIQVEZPCAGMJEE-AWEZNQCLSA-N 2 1 284.448 -0.033 20 0 CBADMP C[C@H](N)C[N@@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236399205 825532726 /nfs/dbraw/zinc/53/27/26/825532726.db2.gz NIQVEZPCAGMJEE-AWEZNQCLSA-N 2 1 284.448 -0.033 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(=O)n(C)c1=O ZINC001237405912 825534687 /nfs/dbraw/zinc/53/46/87/825534687.db2.gz SJBHSSGCEKAWBL-WCQYABFASA-N 2 1 292.383 -0.342 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(=O)n(C)c1=O ZINC001237405912 825534694 /nfs/dbraw/zinc/53/46/94/825534694.db2.gz SJBHSSGCEKAWBL-WCQYABFASA-N 2 1 292.383 -0.342 20 0 CBADMP O=S(=O)(CC1CC[NH2+]CC1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001239166705 825594867 /nfs/dbraw/zinc/59/48/67/825594867.db2.gz BLNAIFIGKDESNZ-GFCCVEGCSA-N 2 1 273.402 -0.294 20 0 CBADMP O=S(=O)(CC1CC[NH2+]CC1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001239166705 825594873 /nfs/dbraw/zinc/59/48/73/825594873.db2.gz BLNAIFIGKDESNZ-GFCCVEGCSA-N 2 1 273.402 -0.294 20 0 CBADMP C[C@@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC001239159602 825595570 /nfs/dbraw/zinc/59/55/70/825595570.db2.gz NUGQOKWNQQQNDS-AOOOYVTPSA-N 2 1 261.391 -0.250 20 0 CBADMP S=C(NCCC[NH+]1CCOCC1)N[C@@H]1CCC[NH2+]C1 ZINC001239383384 825601367 /nfs/dbraw/zinc/60/13/67/825601367.db2.gz QQHBVLURUPJCLY-GFCCVEGCSA-N 2 1 286.445 -0.075 20 0 CBADMP [NH3+][C@]12C[C@H]1CN(C(=S)NCCC[NH+]1CCOCC1)C2 ZINC001239443735 825605352 /nfs/dbraw/zinc/60/53/52/825605352.db2.gz JRWRQNMQJNCDCO-AAEUAGOBSA-N 2 1 284.429 -0.384 20 0 CBADMP C1=C(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C[NH2+]C1 ZINC001243110998 825611888 /nfs/dbraw/zinc/61/18/88/825611888.db2.gz VECHSZCZWQRRSK-UHFFFAOYSA-N 2 1 273.340 -0.097 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245971687 825616046 /nfs/dbraw/zinc/61/60/46/825616046.db2.gz GVMYSZUNFYURLX-RWMBFGLXSA-N 3 1 277.384 -0.659 20 0 CBADMP O[C@H](C[NH2+][C@H]1CCNC[C@H]1F)CC1(O)CC[NH2+]CC1 ZINC001245973981 825616073 /nfs/dbraw/zinc/61/60/73/825616073.db2.gz LUEBLPSZMYWXAK-TUAOUCFPSA-N 2 1 275.368 -0.859 20 0 CBADMP CC(C)OC[C@@H](O)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246027930 825625346 /nfs/dbraw/zinc/62/53/46/825625346.db2.gz YXQPSVPBMUQPTM-QWHCGFSZSA-N 2 1 260.378 -0.052 20 0 CBADMP [NH3+][C@@H]1CCCC[C@@H]1NC[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246015243 825621180 /nfs/dbraw/zinc/62/11/80/825621180.db2.gz YDYDQDXQQWBJPP-UPJWGTAASA-N 2 1 271.405 -0.289 20 0 CBADMP N[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246015243 825621184 /nfs/dbraw/zinc/62/11/84/825621184.db2.gz YDYDQDXQQWBJPP-UPJWGTAASA-N 2 1 271.405 -0.289 20 0 CBADMP C[C@@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)CC[C@@H]1C[NH3+] ZINC001246020283 825622095 /nfs/dbraw/zinc/62/20/95/825622095.db2.gz KJLCRJAMGYCHMK-KFWWJZLASA-N 2 1 285.432 -0.014 20 0 CBADMP COc1cccc(OC[C@H](O)C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001246020211 825622534 /nfs/dbraw/zinc/62/25/34/825622534.db2.gz IJSJXFBMWXZUSD-YWPYICTPSA-N 2 1 296.367 -0.314 20 0 CBADMP COc1cccc(OC[C@H](O)C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001246020211 825622538 /nfs/dbraw/zinc/62/25/38/825622538.db2.gz IJSJXFBMWXZUSD-YWPYICTPSA-N 2 1 296.367 -0.314 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246018419 825622622 /nfs/dbraw/zinc/62/26/22/825622622.db2.gz DQCXCVWQXKAPJA-KBPBESRZSA-N 3 1 273.421 -0.135 20 0 CBADMP CC[NH+](CC)C[C@H](O)CN1CCC[C@@](O)(C[NH3+])CC1 ZINC001246018419 825622627 /nfs/dbraw/zinc/62/26/27/825622627.db2.gz DQCXCVWQXKAPJA-KBPBESRZSA-N 2 1 273.421 -0.135 20 0 CBADMP CCN(CC)C[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246018419 825622629 /nfs/dbraw/zinc/62/26/29/825622629.db2.gz DQCXCVWQXKAPJA-KBPBESRZSA-N 2 1 273.421 -0.135 20 0 CBADMP CCN(CC)C[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246018419 825622636 /nfs/dbraw/zinc/62/26/36/825622636.db2.gz DQCXCVWQXKAPJA-KBPBESRZSA-N 2 1 273.421 -0.135 20 0 CBADMP C[C@]1([NH3+])CCC[N@@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC001246021587 825623671 /nfs/dbraw/zinc/62/36/71/825623671.db2.gz ODDNPPDPZAMAHY-KBPBESRZSA-N 2 1 271.405 -0.117 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@H](O)COc2cccc(F)c2)C[C@H]1O ZINC001246023992 825623691 /nfs/dbraw/zinc/62/36/91/825623691.db2.gz TWJZAWUQOSKWDD-VHRBIJSZSA-N 2 1 284.331 -0.183 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)COc2cccc(F)c2)C[C@H]1O ZINC001246023992 825623698 /nfs/dbraw/zinc/62/36/98/825623698.db2.gz TWJZAWUQOSKWDD-VHRBIJSZSA-N 2 1 284.331 -0.183 20 0 CBADMP CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246023157 825623850 /nfs/dbraw/zinc/62/38/50/825623850.db2.gz OQEDGBVJTHEFIU-RISCZKNCSA-N 2 1 288.388 -0.135 20 0 CBADMP CC(C)(C)OC(=O)[C@H](O)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246023157 825623853 /nfs/dbraw/zinc/62/38/53/825623853.db2.gz OQEDGBVJTHEFIU-RISCZKNCSA-N 2 1 288.388 -0.135 20 0 CBADMP CC(C)OC[C@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246023593 825624008 /nfs/dbraw/zinc/62/40/08/825624008.db2.gz SGLWMZIFMDZRMW-CHWSQXEVSA-N 2 1 260.378 -0.052 20 0 CBADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](CC2(O)CC[NH2+]CC2)C1 ZINC001246024796 825624204 /nfs/dbraw/zinc/62/42/04/825624204.db2.gz RDOCTYLZBNSQBE-ZDUSSCGKSA-N 3 1 257.378 -0.723 20 0 CBADMP CCOC[C@@H](O)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246026845 825625529 /nfs/dbraw/zinc/62/55/29/825625529.db2.gz VFFVTNQAEVPKGV-AVGNSLFASA-N 2 1 257.378 -0.590 20 0 CBADMP CCOC[C@@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246026845 825625531 /nfs/dbraw/zinc/62/55/31/825625531.db2.gz VFFVTNQAEVPKGV-AVGNSLFASA-N 2 1 257.378 -0.590 20 0 CBADMP CCOC[C@@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246026845 825625534 /nfs/dbraw/zinc/62/55/34/825625534.db2.gz VFFVTNQAEVPKGV-AVGNSLFASA-N 2 1 257.378 -0.590 20 0 CBADMP O[C@@]1(CN2CCNC[C@]3(CCCC[NH2+]3)C2)CCC[NH2+]C1 ZINC001246026735 825625618 /nfs/dbraw/zinc/62/56/18/825625618.db2.gz ITMKHFLUOSVELV-CABCVRRESA-N 2 1 282.432 -0.482 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)CC[C@H]1F ZINC001246025562 825625631 /nfs/dbraw/zinc/62/56/31/825625631.db2.gz CIVPYHWSCLPGHP-JHJVBQTASA-N 2 1 275.368 -0.559 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)CC[C@@H]1F ZINC001246025565 825625774 /nfs/dbraw/zinc/62/57/74/825625774.db2.gz CIVPYHWSCLPGHP-RWMBFGLXSA-N 2 1 275.368 -0.559 20 0 CBADMP O[C@@H](C[N@H+]1CCNC2(CC[NH2+]CC2)C1)C(F)(F)F ZINC001246029830 825627803 /nfs/dbraw/zinc/62/78/03/825627803.db2.gz MLSXFGUWUJHYOW-VIFPVBQESA-N 2 1 267.295 -0.063 20 0 CBADMP CCCCOC[C@H](O)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246030460 825627889 /nfs/dbraw/zinc/62/78/89/825627889.db2.gz YKDVMPWEPWFQHR-KGLIPLIRSA-N 2 1 271.405 -0.199 20 0 CBADMP CCCCOC[C@H](O)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246030460 825627894 /nfs/dbraw/zinc/62/78/94/825627894.db2.gz YKDVMPWEPWFQHR-KGLIPLIRSA-N 2 1 271.405 -0.199 20 0 CBADMP CCCCOC[C@@H](O)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246030454 825628049 /nfs/dbraw/zinc/62/80/49/825628049.db2.gz YKDVMPWEPWFQHR-KBPBESRZSA-N 2 1 271.405 -0.199 20 0 CBADMP CCCCOC[C@@H](O)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246030454 825628055 /nfs/dbraw/zinc/62/80/55/825628055.db2.gz YKDVMPWEPWFQHR-KBPBESRZSA-N 2 1 271.405 -0.199 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](C)[NH2+]C2)CN1 ZINC001246094588 825635161 /nfs/dbraw/zinc/63/51/61/825635161.db2.gz ISBJBMBXWNZQLU-USZNOCQGSA-N 2 1 255.362 -0.132 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001246100868 825636158 /nfs/dbraw/zinc/63/61/58/825636158.db2.gz HUJGEGOLYGWRKQ-ZYHUDNBSSA-N 2 1 275.418 -0.002 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H](C)C2)CN1 ZINC001246099126 825636296 /nfs/dbraw/zinc/63/62/96/825636296.db2.gz LNDWBQQIGVQIDT-WYUUTHIRSA-N 2 1 255.362 -0.275 20 0 CBADMP CCOC(=O)c1c(C[NH3+])ncn1[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246097668 825636316 /nfs/dbraw/zinc/63/63/16/825636316.db2.gz ZVIMTRGERCCQEH-SNVBAGLBSA-N 2 1 293.371 -0.215 20 0 CBADMP C[C@@H]1C[C@@H](NCc2cc(=O)n3c(n2)C[NH2+]CCC3)CC[NH2+]1 ZINC001246130917 825638615 /nfs/dbraw/zinc/63/86/15/825638615.db2.gz IAIRCTFZAITTNC-NEPJUHHUSA-N 2 1 291.399 -0.033 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[NH2+]1 ZINC001246135162 825638947 /nfs/dbraw/zinc/63/89/47/825638947.db2.gz QZSCXRNUTZHHRM-WRYZSIRCSA-N 2 1 283.372 -0.754 20 0 CBADMP C[C@H]1CC[C@@H](NCc2cc(=O)n3c(n2)C[NH2+]CCC3)C[NH2+]1 ZINC001246134394 825639333 /nfs/dbraw/zinc/63/93/33/825639333.db2.gz UHPACGHHYGPUAY-NWDGAFQWSA-N 2 1 291.399 -0.033 20 0 CBADMP C[C@H]1CC[C@H](NCc2cc(=O)n3c(n2)C[NH2+]CCC3)C[NH2+]1 ZINC001246134397 825639455 /nfs/dbraw/zinc/63/94/55/825639455.db2.gz UHPACGHHYGPUAY-RYUDHWBXSA-N 2 1 291.399 -0.033 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2noc3c2C[NH2+]CC3)CN1 ZINC001246132481 825639541 /nfs/dbraw/zinc/63/95/41/825639541.db2.gz DFUKBYDXIKTGGL-KOLCDFICSA-N 2 1 294.355 -0.297 20 0 CBADMP C([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246141142 825640199 /nfs/dbraw/zinc/64/01/99/825640199.db2.gz COHMVANPWXOSMU-MJBXVCDLSA-N 3 1 269.389 -0.277 20 0 CBADMP COC(=O)[C@@H]([NH3+])Cc1cncn1[C@H]1CCC[NH2+]C1 ZINC001246153330 825642493 /nfs/dbraw/zinc/64/24/93/825642493.db2.gz QHJUSUSQFMUOLP-ONGXEEELSA-N 2 1 252.318 -0.150 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@]13CC[NH2+][C@H]1CC(=O)N3)C2 ZINC001246155051 825643730 /nfs/dbraw/zinc/64/37/30/825643730.db2.gz WUZNOCNNMXBAIM-ZUDIRPEPSA-N 2 1 264.373 -0.221 20 0 CBADMP COC(=O)[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(C)C ZINC001246178821 825645744 /nfs/dbraw/zinc/64/57/44/825645744.db2.gz OMDKMDMDEJJEMM-MNOVXSKESA-N 2 1 255.362 -0.132 20 0 CBADMP O=C(NCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(F)(F)F ZINC001246181580 825646554 /nfs/dbraw/zinc/64/65/54/825646554.db2.gz WJODLWGDWAPJEN-MRVPVSSYSA-N 2 1 280.294 -0.652 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1 ZINC001246183745 825647497 /nfs/dbraw/zinc/64/74/97/825647497.db2.gz HPYWXBLETLFCBI-RTWBTXMESA-N 2 1 253.346 -0.238 20 0 CBADMP Cc1ncc(C[NH3+])c(=N)n1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246191783 825648120 /nfs/dbraw/zinc/64/81/20/825648120.db2.gz QAXGJPSKWJATSC-LLVKDONJSA-N 2 1 262.361 -0.604 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CN[C@H](C(=O)OC)C1 ZINC001246201810 825649766 /nfs/dbraw/zinc/64/97/66/825649766.db2.gz GGWDKJLSMSMOGG-VWYCJHECSA-N 2 1 287.360 -0.850 20 0 CBADMP CCOC(=O)CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246213444 825651823 /nfs/dbraw/zinc/65/18/23/825651823.db2.gz QMWIJIWISHFMLG-ZACCUICWSA-N 2 1 269.345 -0.462 20 0 CBADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246225268 825653060 /nfs/dbraw/zinc/65/30/60/825653060.db2.gz BIHVPZHNWYLCJN-GHMZBOCLSA-N 3 1 274.359 -0.085 20 0 CBADMP COC(=O)[C@@H]1C[C@H](n2nnc3ccc(C[NH3+])cc32)C[NH2+]1 ZINC001246280940 825659360 /nfs/dbraw/zinc/65/93/60/825659360.db2.gz SYQUNSLLVNNYPN-ONGXEEELSA-N 2 1 275.312 -0.034 20 0 CBADMP O=C(N1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2CO)CC1)C(F)(F)F ZINC001246299574 825661984 /nfs/dbraw/zinc/66/19/84/825661984.db2.gz MRIIXZFGHNUTSC-WCBMZHEXSA-N 2 1 295.305 -0.290 20 0 CBADMP OC[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001246299479 825662051 /nfs/dbraw/zinc/66/20/51/825662051.db2.gz KZHXPJOXKTUWRC-VXGQWTEUSA-N 3 1 283.416 -0.200 20 0 CBADMP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001246305652 825663080 /nfs/dbraw/zinc/66/30/80/825663080.db2.gz JKDQWKXZMBASGB-SRVKXCTJSA-N 2 1 256.346 -0.158 20 0 CBADMP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001246305660 825663622 /nfs/dbraw/zinc/66/36/22/825663622.db2.gz JKDQWKXZMBASGB-TUAOUCFPSA-N 2 1 256.346 -0.158 20 0 CBADMP C[C@@H]1CC[C@H]([NH2+]CCCN2CCS(=O)(=O)CC2)C[NH2+]1 ZINC001246331415 825665432 /nfs/dbraw/zinc/66/54/32/825665432.db2.gz BINYGUSZTKILPY-OLZOCXBDSA-N 2 1 289.445 -0.163 20 0 CBADMP COC(=O)[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001246332064 825665452 /nfs/dbraw/zinc/66/54/52/825665452.db2.gz YPALHVOTFRRFIJ-QWHCGFSZSA-N 3 1 296.415 -0.789 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C[C@H]2OC)CN1 ZINC001246348901 825666548 /nfs/dbraw/zinc/66/65/48/825666548.db2.gz MVKSDRUFNBJWEG-NOOOWODRSA-N 2 1 271.361 -0.754 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[NH2+]CC(C)(C)O2)CN1 ZINC001246413815 825671224 /nfs/dbraw/zinc/67/12/24/825671224.db2.gz QWRINJBJOSRPOI-UTUOFQBUSA-N 2 1 285.388 -0.363 20 0 CBADMP COC(=O)c1ccc(C[NH3+])n1[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246411362 825671345 /nfs/dbraw/zinc/67/13/45/825671345.db2.gz PBWLJQJNJIBGCK-SNVBAGLBSA-N 2 1 278.356 0.000 20 0 CBADMP CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CC23C[NH2+]C3)CCN1 ZINC001246443051 825672992 /nfs/dbraw/zinc/67/29/92/825672992.db2.gz FPPIVPYWEWJPKP-GARJFASQSA-N 2 1 253.346 -0.378 20 0 CBADMP COC(=O)[C@@H]1CC[C@H](NCCC[NH2+]CCCC[NH3+])CN1 ZINC001246454944 825674062 /nfs/dbraw/zinc/67/40/62/825674062.db2.gz BJWWYKPIQNAGGF-STQMWFEESA-N 2 1 286.420 -0.412 20 0 CBADMP [NH3+]CCC[NH2+]CCC[NH2+][C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246455724 825675276 /nfs/dbraw/zinc/67/52/76/825675276.db2.gz YAHKCOMWCUJLJY-LBPRGKRZSA-N 4 1 256.394 -0.575 20 0 CBADMP [NH3+]CCCC[NH+]1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246477994 825675799 /nfs/dbraw/zinc/67/57/99/825675799.db2.gz LDYPIZPMNYLNOQ-AWEZNQCLSA-N 3 1 281.448 -0.563 20 0 CBADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2)CCN1 ZINC001246493699 825677458 /nfs/dbraw/zinc/67/74/58/825677458.db2.gz ZGAFTHRCQKWFJM-UTLUCORTSA-N 2 1 266.311 -0.180 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H](C2CC2)C2C[NH2+]C2)CN1 ZINC001246512797 825678336 /nfs/dbraw/zinc/67/83/36/825678336.db2.gz CEDNRVPTWLJYEA-GRYCIOLGSA-N 2 1 253.346 -0.523 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])N[C@H]1CCC[NH2+]CC1 ZINC001246512032 825678824 /nfs/dbraw/zinc/67/88/24/825678824.db2.gz KTKNPQHWQWGMPP-RYUDHWBXSA-N 2 1 256.394 -0.038 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](C2CC2)C2C[NH2+]C2)CN1 ZINC001246512801 825679125 /nfs/dbraw/zinc/67/91/25/825679125.db2.gz CEDNRVPTWLJYEA-WOPDTQHZSA-N 2 1 253.346 -0.523 20 0 CBADMP COC(=O)[C@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246524558 825680317 /nfs/dbraw/zinc/68/03/17/825680317.db2.gz GVIBWNACRMBHKQ-NWDGAFQWSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@@H](N2C[C@@H](F)[C@@H]([NH3+])C2)C[NH2+]1 ZINC001246527112 825680860 /nfs/dbraw/zinc/68/08/60/825680860.db2.gz SIAYSOIBAIVCDJ-SVDPJWKOSA-N 2 1 259.325 -0.349 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@H+](C2C[C@@H]3COC[C@H](C2)N3)CC1 ZINC001246544672 825682245 /nfs/dbraw/zinc/68/22/45/825682245.db2.gz RRGPLPVGSDTVQI-QNMSZWNNSA-N 2 1 269.389 -0.319 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246544743 825682627 /nfs/dbraw/zinc/68/26/27/825682627.db2.gz SLVZVVUNDJHASJ-KCQAQPDRSA-N 2 1 299.415 -0.154 20 0 CBADMP COC(=O)[C@H]1C[C@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246542307 825682901 /nfs/dbraw/zinc/68/29/01/825682901.db2.gz JWRDBNPKSSBNMP-DMDPSCGWSA-N 2 1 271.361 -0.934 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)CC1 ZINC001246540886 825682961 /nfs/dbraw/zinc/68/29/61/825682961.db2.gz FTBUVZRAOZVZSQ-OLZOCXBDSA-N 3 1 269.389 -0.317 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CCN1 ZINC001246538324 825683024 /nfs/dbraw/zinc/68/30/24/825683024.db2.gz BAGUEIRQIVBOMK-QCNOEVLYSA-N 2 1 255.362 -0.193 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@H+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001246543923 825683460 /nfs/dbraw/zinc/68/34/60/825683460.db2.gz OWVAPSXARPMYQZ-MNOVXSKESA-N 2 1 262.375 -0.651 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246542332 825683506 /nfs/dbraw/zinc/68/35/06/825683506.db2.gz JWRDBNPKSSBNMP-GVXVVHGQSA-N 2 1 271.361 -0.934 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@@H](N2CC[C@@H]([NH3+])[C@H](O)C2)C[NH2+]1 ZINC001246573092 825687640 /nfs/dbraw/zinc/68/76/40/825687640.db2.gz YZZGPWFFIPFINO-UZWSLXQKSA-N 2 1 271.361 -0.936 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2CC[C@@H]([NH3+])[C@H](O)C2)C[NH2+]1 ZINC001246573088 825687948 /nfs/dbraw/zinc/68/79/48/825687948.db2.gz YZZGPWFFIPFINO-SBFPOUOMSA-N 2 1 271.361 -0.936 20 0 CBADMP CCOC(=O)[C@H]1CC[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CO1 ZINC001246577995 825688994 /nfs/dbraw/zinc/68/89/94/825688994.db2.gz CXHJAUFOCWLSNP-NNYUYHANSA-N 2 1 272.345 -0.652 20 0 CBADMP COC(=O)[C@H]1CCC[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246578112 825689034 /nfs/dbraw/zinc/68/90/34/825689034.db2.gz FXGPQPKVVPCEOM-NNYUYHANSA-N 2 1 256.346 -0.030 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2C[C@H]([NH3+])CC(F)(F)C2)C[NH2+]1 ZINC001246576178 825689288 /nfs/dbraw/zinc/68/92/88/825689288.db2.gz RHZHAIHZEHYCNZ-HLTSFMKQSA-N 2 1 263.288 -0.442 20 0 CBADMP O[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1F ZINC001246575907 825689692 /nfs/dbraw/zinc/68/96/92/825689692.db2.gz LOTIRDCEFSEJBV-QJPTWQEYSA-N 2 1 257.353 -0.125 20 0 CBADMP N[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246585942 825690228 /nfs/dbraw/zinc/69/02/28/825690228.db2.gz YTBNAHXCCUHKIH-ZJUUUORDSA-N 2 1 260.332 -0.251 20 0 CBADMP CCN(CC)C(=O)C[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246581216 825691163 /nfs/dbraw/zinc/69/11/63/825691163.db2.gz RMOLEUWBMQXPBJ-GRYCIOLGSA-N 2 1 257.378 -0.115 20 0 CBADMP N[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246585938 825691170 /nfs/dbraw/zinc/69/11/70/825691170.db2.gz YTBNAHXCCUHKIH-VHSXEESVSA-N 2 1 260.332 -0.251 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCN3C(=O)CC[C@H]3C2)C[C@@H]1O ZINC001246583160 825691352 /nfs/dbraw/zinc/69/13/52/825691352.db2.gz ILHKFOFJUJUYTE-BJDJZHNGSA-N 2 1 253.346 -0.609 20 0 CBADMP C[C@]1(CO)CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1O ZINC001246589378 825691789 /nfs/dbraw/zinc/69/17/89/825691789.db2.gz CSSVMCZBHLVMLW-RWMBFGLXSA-N 2 1 269.389 -0.854 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N2CC(C)(C[NH3+])C2)C[NH2+]1 ZINC001246591048 825692055 /nfs/dbraw/zinc/69/20/55/825692055.db2.gz VFQGLFFQKAXUPS-ZWNOBZJWSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246599768 825693485 /nfs/dbraw/zinc/69/34/85/825693485.db2.gz QLJRSECRLNQVGJ-LLVKDONJSA-N 2 1 255.362 -0.096 20 0 CBADMP COC(=O)CC[C@H](C)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246623900 825696675 /nfs/dbraw/zinc/69/66/75/825696675.db2.gz MAPTVTFUFQDHPC-AAEUAGOBSA-N 2 1 255.362 -0.035 20 0 CBADMP C1C[C@]2(C[NH2+]1)C[NH2+]CCN2[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246625188 825697297 /nfs/dbraw/zinc/69/72/97/825697297.db2.gz PQHKVKMLZRFEGH-CRWXNKLISA-N 3 1 250.390 -0.378 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC(F)(C[NH3+])CC2)C[NH2+]1 ZINC001246624827 825697383 /nfs/dbraw/zinc/69/73/83/825697383.db2.gz FVECJWMRYVFPHD-UWVGGRQHSA-N 2 1 259.325 -0.347 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH+]2CCC(F)(C[NH3+])CC2)CN1 ZINC001246624827 825697388 /nfs/dbraw/zinc/69/73/88/825697388.db2.gz FVECJWMRYVFPHD-UWVGGRQHSA-N 2 1 259.325 -0.347 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1CCNC[C@]3(CCCC[NH2+]3)C1)CCO2 ZINC001246628893 825697719 /nfs/dbraw/zinc/69/77/19/825697719.db2.gz MJAKXKOAWJWETK-LSDHHAIUSA-N 2 1 294.443 -0.075 20 0 CBADMP C1C[C@@]2(C[NH2+]1)C[NH2+]CCN2[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246625861 825698052 /nfs/dbraw/zinc/69/80/52/825698052.db2.gz QFELOTOAVPKQLW-ZOBORPQBSA-N 3 1 250.390 -0.093 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC[C@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246631163 825698169 /nfs/dbraw/zinc/69/81/69/825698169.db2.gz RDZRYQKAKWXMRR-MBNYWOFBSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001246628400 825698320 /nfs/dbraw/zinc/69/83/20/825698320.db2.gz LJUHHEAGAGXGMG-BZPMIXESSA-N 2 1 267.373 -0.035 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)CN1 ZINC001246630958 825698652 /nfs/dbraw/zinc/69/86/52/825698652.db2.gz QECBUZCMWUXMJX-YDHLFZDLSA-N 2 1 296.415 -0.693 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@@H+]1CCOCC13CC[NH2+]CC3)CCN2 ZINC001246642259 825700725 /nfs/dbraw/zinc/70/07/25/825700725.db2.gz HQXBKTPXBJWQRD-CYBMUJFWSA-N 3 1 280.416 -0.465 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCOCC13CC[NH2+]CC3)CCN2 ZINC001246642259 825700729 /nfs/dbraw/zinc/70/07/29/825700729.db2.gz HQXBKTPXBJWQRD-CYBMUJFWSA-N 3 1 280.416 -0.465 20 0 CBADMP COC(=O)CC[C@H](C)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246645070 825701265 /nfs/dbraw/zinc/70/12/65/825701265.db2.gz SRZYQNJCKQNZPY-WCQYABFASA-N 2 1 255.362 -0.035 20 0 CBADMP COC(=O)CC[C@H](C)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246645070 825701270 /nfs/dbraw/zinc/70/12/70/825701270.db2.gz SRZYQNJCKQNZPY-WCQYABFASA-N 2 1 255.362 -0.035 20 0 CBADMP CC(=O)N1CCC([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246641933 825701441 /nfs/dbraw/zinc/70/14/41/825701441.db2.gz KCPQYVJJOYEZIJ-CQSZACIVSA-N 2 1 266.389 -0.365 20 0 CBADMP CC(=O)N1CCC([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246641933 825701448 /nfs/dbraw/zinc/70/14/48/825701448.db2.gz KCPQYVJJOYEZIJ-CQSZACIVSA-N 2 1 266.389 -0.365 20 0 CBADMP COC(=O)CC[C@@H](C)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246645072 825702769 /nfs/dbraw/zinc/70/27/69/825702769.db2.gz SRZYQNJCKQNZPY-YPMHNXCESA-N 2 1 255.362 -0.035 20 0 CBADMP COC(=O)CC[C@@H](C)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246645072 825702776 /nfs/dbraw/zinc/70/27/76/825702776.db2.gz SRZYQNJCKQNZPY-YPMHNXCESA-N 2 1 255.362 -0.035 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@@H]3OCCN[C@H]3C1)CCN2 ZINC001246655137 825704325 /nfs/dbraw/zinc/70/43/25/825704325.db2.gz GDDUJBUZVURMTD-AVGNSLFASA-N 2 1 266.389 -0.857 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1CC[C@@H]3OCC[NH2+][C@H]3C1)CCN2 ZINC001246655137 825704331 /nfs/dbraw/zinc/70/43/31/825704331.db2.gz GDDUJBUZVURMTD-AVGNSLFASA-N 2 1 266.389 -0.857 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@H](N2CC[NH2+][C@H](C)C2)C[NH2+]1 ZINC001246676248 825704816 /nfs/dbraw/zinc/70/48/16/825704816.db2.gz BFRAJXKXLXIXGD-MDZLAQPJSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[NH2+]1 ZINC001246670126 825705060 /nfs/dbraw/zinc/70/50/60/825705060.db2.gz WMRKCEGXZVQYFK-WYUUTHIRSA-N 2 1 253.346 -0.569 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CN1 ZINC001246666366 825705081 /nfs/dbraw/zinc/70/50/81/825705081.db2.gz JDWQOBUEAHEVPA-LPWJVIDDSA-N 2 1 267.373 -0.179 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CN1 ZINC001246666366 825705085 /nfs/dbraw/zinc/70/50/85/825705085.db2.gz JDWQOBUEAHEVPA-LPWJVIDDSA-N 2 1 267.373 -0.179 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1[C@@H]3CC[C@H]1C[NH2+]CC3)CCN2 ZINC001246675303 825705240 /nfs/dbraw/zinc/70/52/40/825705240.db2.gz FMIPBQKRBAVXPA-AGIUHOORSA-N 3 1 250.390 -0.093 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@@H+]1[C@@H]3CC[C@H]1CNCC3)CCN2 ZINC001246675303 825705242 /nfs/dbraw/zinc/70/52/42/825705242.db2.gz FMIPBQKRBAVXPA-AGIUHOORSA-N 2 1 250.390 -0.093 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1[C@@H]3CC[C@H]1CNCC3)CCN2 ZINC001246675303 825705243 /nfs/dbraw/zinc/70/52/43/825705243.db2.gz FMIPBQKRBAVXPA-AGIUHOORSA-N 2 1 250.390 -0.093 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C1)O4)CCN2 ZINC001246685557 825706397 /nfs/dbraw/zinc/70/63/97/825706397.db2.gz PLPOIWLALLXOEJ-DSJMHWKBSA-N 3 1 292.427 -0.467 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)CN1 ZINC001246678606 825706623 /nfs/dbraw/zinc/70/66/23/825706623.db2.gz OOSMKCJXMPCONW-NEPJUHHUSA-N 2 1 255.362 -0.179 20 0 CBADMP CN1CCO[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246703960 825708195 /nfs/dbraw/zinc/70/81/95/825708195.db2.gz ULAXBACEUBWCJP-UPJWGTAASA-N 2 1 266.389 -0.905 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCC3(C1)OCCO3)CCN2 ZINC001246781126 825710294 /nfs/dbraw/zinc/71/02/94/825710294.db2.gz DEXUWKAXYLHUEP-NSHDSACASA-N 2 1 253.346 -0.471 20 0 CBADMP C1[NH2+]CC12C[C@H]([NH+]1CCN(C3CCOCC3)CC1)CCN2 ZINC001246787663 825710600 /nfs/dbraw/zinc/71/06/00/825710600.db2.gz DXFLUVITXVBGBP-OAHLLOKOSA-N 2 1 294.443 -0.123 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCC3(C1)OCCO3)CCN2 ZINC001246781091 825710718 /nfs/dbraw/zinc/71/07/18/825710718.db2.gz DEXUWKAXYLHUEP-LLVKDONJSA-N 2 1 253.346 -0.471 20 0 CBADMP C1C(N2CCCC2)C[NH+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246802938 825713020 /nfs/dbraw/zinc/71/30/20/825713020.db2.gz YLEKKMHXKOSVIR-LBPRGKRZSA-N 2 1 250.390 -0.140 20 0 CBADMP COCCCN([C@@H]1C[NH2+][C@@H](C(=O)OC)C1)[C@H]1CCC[NH2+]C1 ZINC001246806305 825713604 /nfs/dbraw/zinc/71/36/04/825713604.db2.gz HPBFSNSSSLPWIH-MELADBBJSA-N 2 1 299.415 -0.020 20 0 CBADMP CCOC(=O)[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246814165 825714163 /nfs/dbraw/zinc/71/41/63/825714163.db2.gz ODHDAIDJBXHFBR-NEPJUHHUSA-N 2 1 283.372 -0.656 20 0 CBADMP CN1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246813877 825714270 /nfs/dbraw/zinc/71/42/70/825714270.db2.gz RFKWQFJQZBWJLJ-RWMBFGLXSA-N 2 1 250.390 -0.141 20 0 CBADMP CC1(C)C[C@H]([NH+]2CCNCC[NH2+]CCNCC2)CO1 ZINC001246821091 825716735 /nfs/dbraw/zinc/71/67/35/825716735.db2.gz LGIWOLNVZAERSJ-ZDUSSCGKSA-N 2 1 270.421 -0.362 20 0 CBADMP CCN1CC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC1=O ZINC001246824931 825718116 /nfs/dbraw/zinc/71/81/16/825718116.db2.gz ZSWPQTZIQKWQLJ-AWEZNQCLSA-N 2 1 297.447 -0.918 20 0 CBADMP C[C@@H]1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CCO1 ZINC001246822892 825718139 /nfs/dbraw/zinc/71/81/39/825718139.db2.gz TVUJURUXNQIBNU-KGLIPLIRSA-N 2 1 270.421 -0.362 20 0 CBADMP COCCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246838665 825719220 /nfs/dbraw/zinc/71/92/20/825719220.db2.gz ZSAMRHICTPFPQR-OLZOCXBDSA-N 2 1 285.388 -0.410 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)CN1 ZINC001246849105 825719953 /nfs/dbraw/zinc/71/99/53/825719953.db2.gz YAXVGWUJLZPNTB-NDBYEHHHSA-N 2 1 267.373 -0.179 20 0 CBADMP CN(C)C(=O)CC[N@@H+](C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246843764 825720260 /nfs/dbraw/zinc/72/02/60/825720260.db2.gz WCBIIQLBEGTQDD-LLVKDONJSA-N 2 1 254.378 -0.510 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CN1 ZINC001246849111 825720498 /nfs/dbraw/zinc/72/04/98/825720498.db2.gz YAXVGWUJLZPNTB-VOAKCMCISA-N 2 1 267.373 -0.179 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[NH+]3CCC2CC3)C[NH2+]1 ZINC001246845764 825721434 /nfs/dbraw/zinc/72/14/34/825721434.db2.gz NYFOJQKGFSGHMQ-NEPJUHHUSA-N 2 1 253.346 -0.330 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CCN1 ZINC001246858794 825722889 /nfs/dbraw/zinc/72/28/89/825722889.db2.gz HUILTZGCNPKMBK-ZBBUEOHVSA-N 2 1 297.399 -0.424 20 0 CBADMP CCN([C@@H]1C[NH2+][C@H](C(=O)OC)C1)[C@H]1CCC[NH2+]C1 ZINC001246854616 825722918 /nfs/dbraw/zinc/72/29/18/825722918.db2.gz POKPIDOLNUVYBX-SRVKXCTJSA-N 2 1 255.362 -0.036 20 0 CBADMP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CCN1 ZINC001246858792 825722992 /nfs/dbraw/zinc/72/29/92/825722992.db2.gz HUILTZGCNPKMBK-BMNJFWBPSA-N 2 1 297.399 -0.424 20 0 CBADMP COC(=O)[C@@H]([NH3+])C1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246865246 825723960 /nfs/dbraw/zinc/72/39/60/825723960.db2.gz SHZXTOJJSFIXDF-STQMWFEESA-N 3 1 296.415 -0.707 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246871362 825726052 /nfs/dbraw/zinc/72/60/52/825726052.db2.gz QVYMNVKDBLYUPA-HIFRSBDPSA-N 2 1 298.431 -0.493 20 0 CBADMP Cn1ncc2c1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246872111 825726748 /nfs/dbraw/zinc/72/67/48/825726748.db2.gz PIMRBUNQZVGYFX-GFCCVEGCSA-N 2 1 261.373 -0.128 20 0 CBADMP CC(C)N1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246873015 825727209 /nfs/dbraw/zinc/72/72/09/825727209.db2.gz YJJOXKDNFHTDNM-LBPRGKRZSA-N 2 1 266.389 -0.367 20 0 CBADMP CC(=O)N1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1C ZINC001246887179 825727420 /nfs/dbraw/zinc/72/74/20/825727420.db2.gz JQYXWCFVVGUOAE-DGCLKSJQSA-N 2 1 266.389 -0.367 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)CN1 ZINC001246872266 825728046 /nfs/dbraw/zinc/72/80/46/825728046.db2.gz QDCLCHJCQXVXAY-RDBSUJKOSA-N 2 1 296.415 -0.613 20 0 CBADMP CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246894076 825729301 /nfs/dbraw/zinc/72/93/01/825729301.db2.gz NCQUIEFKPWOZGW-VXGBXAGGSA-N 2 1 252.362 -0.709 20 0 CBADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246921254 825731587 /nfs/dbraw/zinc/73/15/87/825731587.db2.gz OGXBQQWFMJSGPD-ZDUSSCGKSA-N 4 1 297.447 -0.756 20 0 CBADMP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246921254 825731591 /nfs/dbraw/zinc/73/15/91/825731591.db2.gz OGXBQQWFMJSGPD-ZDUSSCGKSA-N 3 1 297.447 -0.756 20 0 CBADMP CC(=O)N(C)[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246920226 825731838 /nfs/dbraw/zinc/73/18/38/825731838.db2.gz DCJWEIYOWHVNGN-QWHCGFSZSA-N 2 1 266.389 -0.367 20 0 CBADMP COCC[N@@H+]([C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001246926737 825732624 /nfs/dbraw/zinc/73/26/24/825732624.db2.gz DYUCSFJDSMXXPS-KGLIPLIRSA-N 3 1 282.432 -0.219 20 0 CBADMP COCC[N@H+]([C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001246926737 825732633 /nfs/dbraw/zinc/73/26/33/825732633.db2.gz DYUCSFJDSMXXPS-KGLIPLIRSA-N 3 1 282.432 -0.219 20 0 CBADMP CCOC(=O)CN(CCC[NH3+])[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246924408 825733221 /nfs/dbraw/zinc/73/32/21/825733221.db2.gz SANWAKVPCUUURY-QWRGUYRKSA-N 2 1 287.360 -0.896 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246932710 825734761 /nfs/dbraw/zinc/73/47/61/825734761.db2.gz HCZZKQLQWYSLCA-ICUOPCATSA-N 2 1 299.371 -0.898 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)C[NH2+]1 ZINC001246932711 825734930 /nfs/dbraw/zinc/73/49/30/825734930.db2.gz HCZZKQLQWYSLCA-KZWBYHQPSA-N 2 1 299.371 -0.898 20 0 CBADMP CCOCCN([C@@H]1C[NH2+][C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246949810 825735975 /nfs/dbraw/zinc/73/59/75/825735975.db2.gz LUABWKOFWZSDPW-KBPBESRZSA-N 2 1 299.415 -0.020 20 0 CBADMP [NH3+]C1CCN([C@H]2CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)CC1 ZINC001246978364 825737036 /nfs/dbraw/zinc/73/70/36/825737036.db2.gz SBXHAKNISKNBFM-CABCVRRESA-N 3 1 293.459 -0.422 20 0 CBADMP CC[NH+]1C[C@@H]2CN([C@@H]3C[NH2+][C@H](C(=O)OC)C3)C[C@H]2C1 ZINC001246980189 825737456 /nfs/dbraw/zinc/73/74/56/825737456.db2.gz PYBAABLTAIKNNE-NDBYEHHHSA-N 2 1 267.373 -0.227 20 0 CBADMP CCNC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246979090 825737849 /nfs/dbraw/zinc/73/78/49/825737849.db2.gz ZIERYPZJVFYPGI-NEPJUHHUSA-N 2 1 266.389 -0.319 20 0 CBADMP COC(=O)[C@H]1C[C@@H](N(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246985867 825738841 /nfs/dbraw/zinc/73/88/41/825738841.db2.gz LEODHSUPEVRXJT-MGPQQGTHSA-N 3 1 298.431 -0.495 20 0 CBADMP COC(=O)[C@H]1C[C@H](N(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246985858 825739241 /nfs/dbraw/zinc/73/92/41/825739241.db2.gz LEODHSUPEVRXJT-HZSPNIEDSA-N 3 1 298.431 -0.495 20 0 CBADMP COCCCN([C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246983340 825739521 /nfs/dbraw/zinc/73/95/21/825739521.db2.gz FCGQRPGOHIETPR-AGIUHOORSA-N 2 1 285.388 -0.410 20 0 CBADMP COC(=O)CC[C@H]1COCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246998060 825740550 /nfs/dbraw/zinc/74/05/50/825740550.db2.gz DLWOQHXJONWAEE-STQMWFEESA-N 2 1 297.399 -0.266 20 0 CBADMP COC(=O)CC[C@H]1COCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246998060 825740557 /nfs/dbraw/zinc/74/05/57/825740557.db2.gz DLWOQHXJONWAEE-STQMWFEESA-N 2 1 297.399 -0.266 20 0 CBADMP O=C1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]2CCCN12 ZINC001246993616 825740913 /nfs/dbraw/zinc/74/09/13/825740913.db2.gz OOPNJFIFTBQNLH-CHWSQXEVSA-N 2 1 278.400 -0.223 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC(F)(F)CC[C@@H]2C[NH3+])C[NH2+]1 ZINC001246993388 825741277 /nfs/dbraw/zinc/74/12/77/825741277.db2.gz RLIGZINKSDIKCC-UTLUCORTSA-N 2 1 277.315 -0.052 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC[C@](C)(C[NH3+])C2)C[NH2+]1 ZINC001247001096 825741419 /nfs/dbraw/zinc/74/14/19/825741419.db2.gz JAPRJEXQSMDGTR-GMXVVIOVSA-N 2 1 255.362 -0.049 20 0 CBADMP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC001251035066 825767128 /nfs/dbraw/zinc/76/71/28/825767128.db2.gz DRZFBPUWOXFNPL-KBPBESRZSA-N 2 1 271.405 -0.247 20 0 CBADMP OC[C@@H](O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001252061477 825822309 /nfs/dbraw/zinc/82/23/09/825822309.db2.gz JBRPZWPWFAIEPE-ZDUSSCGKSA-N 2 1 257.378 -0.947 20 0 CBADMP COCCC[NH+]1CCC([NH2+]C[C@@H](O)C(=O)OC)CC1 ZINC001252440462 825859444 /nfs/dbraw/zinc/85/94/44/825859444.db2.gz PEOPKAWMSUURPA-GFCCVEGCSA-N 2 1 274.361 -0.389 20 0 CBADMP COC(=O)[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001252445419 825862453 /nfs/dbraw/zinc/86/24/53/825862453.db2.gz UJACDWGTEYXUPW-LBPRGKRZSA-N 2 1 256.346 -0.016 20 0 CBADMP CC(C)OC[C@H](O)C[NH2+]CCC(=O)NCCc1cnc[nH]1 ZINC001252694395 825884933 /nfs/dbraw/zinc/88/49/33/825884933.db2.gz BSUQLWHIHGIGFQ-CYBMUJFWSA-N 2 1 298.387 -0.166 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252817146 825889721 /nfs/dbraw/zinc/88/97/21/825889721.db2.gz AQZJGTMZXBXXRA-MELADBBJSA-N 2 1 271.405 -0.296 20 0 CBADMP CC[NH+](CC)C[C@H](O)CNCC[N@H+]1CCC[C@H](O)C1 ZINC001253209680 825905615 /nfs/dbraw/zinc/90/56/15/825905615.db2.gz GYMVVTFFSLJUET-UONOGXRCSA-N 2 1 273.421 -0.265 20 0 CBADMP CC[NH+](CC)C[C@@H](O)CNCC[N@H+]1CC[C@@H](O)C1 ZINC001253208904 825905686 /nfs/dbraw/zinc/90/56/86/825905686.db2.gz UTMGTIMVQNXHEN-OLZOCXBDSA-N 2 1 259.394 -0.655 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001253384796 825911114 /nfs/dbraw/zinc/91/11/14/825911114.db2.gz GUQNYQPCCSNDOS-WDEREUQCSA-N 2 1 257.378 -0.067 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001253384796 825911119 /nfs/dbraw/zinc/91/11/19/825911119.db2.gz GUQNYQPCCSNDOS-WDEREUQCSA-N 2 1 257.378 -0.067 20 0 CBADMP CC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253406268 825913211 /nfs/dbraw/zinc/91/32/11/825913211.db2.gz DXGBKGLDNVUEID-RYUDHWBXSA-N 2 1 257.378 -0.054 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@]1(C)CCC(=O)NC1=O ZINC001253407438 825913505 /nfs/dbraw/zinc/91/35/05/825913505.db2.gz LILNEXFCEJQZLR-RNCFNFMXSA-N 2 1 271.361 -0.480 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCN1C(=O)C=CC1=O ZINC001253405167 825914231 /nfs/dbraw/zinc/91/42/31/825914231.db2.gz RAYPFFFQEQHUGE-JTQLQIEISA-N 2 1 269.345 -0.750 20 0 CBADMP CC(C)(C)OC[C@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001253473259 825916697 /nfs/dbraw/zinc/91/66/97/825916697.db2.gz DIKFNLCHIYACIU-CYBMUJFWSA-N 2 1 292.420 -0.571 20 0 CBADMP [NH3+][C@@H](CO)Cc1c[nH+]cn1[C@H]1CCS(=O)(=O)C1 ZINC001254319481 825950126 /nfs/dbraw/zinc/95/01/26/825950126.db2.gz YKCRXBPNEPLFNI-BDAKNGLRSA-N 2 1 259.331 -0.895 20 0 CBADMP CC(=O)N1CCC([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC001254417665 825962153 /nfs/dbraw/zinc/96/21/53/825962153.db2.gz FOJXTISUUSYHNN-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP C[N@H+]1CC[C@H](N([C@H]2CCC[NH2+]C2)S(C)(=O)=O)C1 ZINC001255441982 825984843 /nfs/dbraw/zinc/98/48/43/825984843.db2.gz RHYFDOODGAVWEX-QWRGUYRKSA-N 2 1 261.391 -0.296 20 0 CBADMP O=C1C[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C(=O)N1 ZINC001256070072 826000496 /nfs/dbraw/zinc/00/04/96/826000496.db2.gz WHLSORXMAKFSLN-VIFPVBQESA-N 2 1 251.330 -0.135 20 0 CBADMP CC(C)(C)[NH+]1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001256565414 826025181 /nfs/dbraw/zinc/02/51/81/826025181.db2.gz ACNQLCFWJPOOQC-AGIUHOORSA-N 2 1 282.436 -0.758 20 0 CBADMP [NH3+]C[C@@H](O)C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256578191 826026128 /nfs/dbraw/zinc/02/61/28/826026128.db2.gz BQEAGKIYZXTKJB-CQSZACIVSA-N 2 1 264.373 -0.045 20 0 CBADMP CC(C)C[NH+]1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001258009015 826054391 /nfs/dbraw/zinc/05/43/91/826054391.db2.gz NPFQUAUFSQRNSA-IHRRRGAJSA-N 2 1 282.436 -0.901 20 0 CBADMP CC(C)C[NH+]1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001258009017 826054482 /nfs/dbraw/zinc/05/44/82/826054482.db2.gz NPFQUAUFSQRNSA-RDBSUJKOSA-N 2 1 282.436 -0.901 20 0 CBADMP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001261436045 826512122 /nfs/dbraw/zinc/51/21/22/826512122.db2.gz NWOOGWXZXJUKFL-HRCADAONSA-N 3 1 296.459 -0.189 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CCCn1cc(CO)nn1)C1CC1 ZINC001261483196 826522161 /nfs/dbraw/zinc/52/21/61/826522161.db2.gz LVDDGGCPPVGGMU-ZDUSSCGKSA-N 2 1 283.376 -0.795 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCn1cc(CO)nn1)C1CC1 ZINC001261483196 826522163 /nfs/dbraw/zinc/52/21/63/826522163.db2.gz LVDDGGCPPVGGMU-ZDUSSCGKSA-N 2 1 283.376 -0.795 20 0 CBADMP C[C@@]1(C[NH+]2CCC(S(N)(=O)=O)CC2)CC[NH2+]C1 ZINC001261483222 826522326 /nfs/dbraw/zinc/52/23/26/826522326.db2.gz MLVJSZAJZOUBHU-LLVKDONJSA-N 2 1 261.391 -0.261 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001261493122 826524755 /nfs/dbraw/zinc/52/47/55/826524755.db2.gz KXHFEHWRCCSHQC-VHSXEESVSA-N 2 1 251.334 -0.512 20 0 CBADMP C[C@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)N1CC[NH+](C)CC1 ZINC001261495113 826525384 /nfs/dbraw/zinc/52/53/84/826525384.db2.gz SOWDWPBYYGSIMB-OCCSQVGLSA-N 2 1 268.405 -0.180 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001261530423 826534997 /nfs/dbraw/zinc/53/49/97/826534997.db2.gz DCPNAJMLPDABLV-AAEUAGOBSA-N 2 1 268.405 -0.134 20 0 CBADMP CC[N@H+]1CCC[C@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC001262007724 826618440 /nfs/dbraw/zinc/61/84/40/826618440.db2.gz OSOUBKZAMJOXIF-CYBMUJFWSA-N 2 1 268.405 -0.260 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CC1 ZINC001262065223 826630155 /nfs/dbraw/zinc/63/01/55/826630155.db2.gz UUKTYRSHKSCNDV-XHDPSFHLSA-N 2 1 294.399 -0.735 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001262071359 826631532 /nfs/dbraw/zinc/63/15/32/826631532.db2.gz XTNFFGMNGZFWIL-QJPTWQEYSA-N 2 1 282.388 -0.608 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001262072913 826632803 /nfs/dbraw/zinc/63/28/03/826632803.db2.gz CBOPQFGMHKADBD-XQQFMLRXSA-N 2 1 296.415 -0.219 20 0 CBADMP CC(=O)N1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001262195141 826657603 /nfs/dbraw/zinc/65/76/03/826657603.db2.gz PMSGMVGRYRZDNF-CYBMUJFWSA-N 2 1 267.373 -0.081 20 0 CBADMP CC(=O)NC[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001262195216 826657766 /nfs/dbraw/zinc/65/77/66/826657766.db2.gz TWOVJCNOKDYLSA-CYDGBPFRSA-N 2 1 255.362 -0.315 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC001262563630 826709899 /nfs/dbraw/zinc/70/98/99/826709899.db2.gz KGTUDKJOXVZSMS-ZDUSSCGKSA-N 2 1 259.394 -0.389 20 0 CBADMP Cn1ncnc1CCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC001262576493 826711283 /nfs/dbraw/zinc/71/12/83/826711283.db2.gz QKOJFSABMHSEPP-LBPRGKRZSA-N 2 1 267.377 -0.208 20 0 CBADMP Cn1ncnc1CCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC001262576493 826711289 /nfs/dbraw/zinc/71/12/89/826711289.db2.gz QKOJFSABMHSEPP-LBPRGKRZSA-N 2 1 267.377 -0.208 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001262639031 826721171 /nfs/dbraw/zinc/72/11/71/826721171.db2.gz QHZKWFBVUQIFJL-CHWSQXEVSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001262639031 826721177 /nfs/dbraw/zinc/72/11/77/826721177.db2.gz QHZKWFBVUQIFJL-CHWSQXEVSA-N 2 1 267.373 -0.083 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CNCC[NH3+])C1 ZINC001263102502 826738146 /nfs/dbraw/zinc/73/81/46/826738146.db2.gz WPPNVDQQZLTUBE-LBPRGKRZSA-N 2 1 256.394 -0.275 20 0 CBADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CNCC[NH3+] ZINC001263107239 826739224 /nfs/dbraw/zinc/73/92/24/826739224.db2.gz RPUGDYMZBLQURC-CYBMUJFWSA-N 2 1 292.383 -0.284 20 0 CBADMP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC001263107319 826739505 /nfs/dbraw/zinc/73/95/05/826739505.db2.gz TYHFBGUQAIYWJT-VOAKCMCISA-N 2 1 266.389 -0.417 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2C[NH2+]1 ZINC001263105908 826739592 /nfs/dbraw/zinc/73/95/92/826739592.db2.gz CRSQZEKAYCIVBN-VHSXEESVSA-N 2 1 263.345 -0.062 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC001263107895 826739773 /nfs/dbraw/zinc/73/97/73/826739773.db2.gz IUWFCZSMJYPCKB-CIUDSAMLSA-N 2 1 265.304 -0.732 20 0 CBADMP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1[NH2+]CCc2occc21 ZINC001263170686 826748622 /nfs/dbraw/zinc/74/86/22/826748622.db2.gz WGLKZRUVKBSCNL-SKDRFNHKSA-N 2 1 267.329 -0.495 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC001263203044 826752783 /nfs/dbraw/zinc/75/27/83/826752783.db2.gz RQVRKWORDQOWAW-IVZWLZJFSA-N 2 1 257.334 -0.524 20 0 CBADMP C[C@H](C(=O)N1CC[C@H](CC[NH3+])C1)N1CC[NH+](C)CC1 ZINC001263212735 826753806 /nfs/dbraw/zinc/75/38/06/826753806.db2.gz BAIICDMHNYDTNI-OLZOCXBDSA-N 2 1 268.405 -0.180 20 0 CBADMP C[C@@H](C(=O)N1CC[C@H](CC[NH3+])C1)N1CC[NH+](C)CC1 ZINC001263212737 826755283 /nfs/dbraw/zinc/75/52/83/826755283.db2.gz BAIICDMHNYDTNI-STQMWFEESA-N 2 1 268.405 -0.180 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)CNCC[NH3+] ZINC001263231785 826755950 /nfs/dbraw/zinc/75/59/50/826755950.db2.gz QRHZLVWPXQQIPS-LBPRGKRZSA-N 2 1 256.394 -0.277 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001263746364 826774075 /nfs/dbraw/zinc/77/40/75/826774075.db2.gz KFTVVFLBJXOMEE-UONOGXRCSA-N 2 1 298.431 -0.541 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001263746364 826774077 /nfs/dbraw/zinc/77/40/77/826774077.db2.gz KFTVVFLBJXOMEE-UONOGXRCSA-N 2 1 298.431 -0.541 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001263746364 826774083 /nfs/dbraw/zinc/77/40/83/826774083.db2.gz KFTVVFLBJXOMEE-UONOGXRCSA-N 2 1 298.431 -0.541 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001263849380 826784682 /nfs/dbraw/zinc/78/46/82/826784682.db2.gz HLPMWNVINWKQLJ-TXEJJXNPSA-N 2 1 257.378 -0.195 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCO ZINC001264380324 826806728 /nfs/dbraw/zinc/80/67/28/826806728.db2.gz HIPINWNTMUFZOR-LBPRGKRZSA-N 2 1 257.378 -0.148 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CCO ZINC001264380324 826806700 /nfs/dbraw/zinc/80/67/00/826806700.db2.gz HIPINWNTMUFZOR-LBPRGKRZSA-N 2 1 257.378 -0.148 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CCO ZINC001264380324 826806709 /nfs/dbraw/zinc/80/67/09/826806709.db2.gz HIPINWNTMUFZOR-LBPRGKRZSA-N 2 1 257.378 -0.148 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCO ZINC001264380324 826806719 /nfs/dbraw/zinc/80/67/19/826806719.db2.gz HIPINWNTMUFZOR-LBPRGKRZSA-N 2 1 257.378 -0.148 20 0 CBADMP COCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001264416695 826810227 /nfs/dbraw/zinc/81/02/27/826810227.db2.gz DFYHYAYJSRKVSR-AVGNSLFASA-N 2 1 285.388 -0.552 20 0 CBADMP COCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001264416695 826810240 /nfs/dbraw/zinc/81/02/40/826810240.db2.gz DFYHYAYJSRKVSR-AVGNSLFASA-N 2 1 285.388 -0.552 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CCO ZINC001264716781 826819889 /nfs/dbraw/zinc/81/98/89/826819889.db2.gz XCCVGELTDVFFMX-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CCCO ZINC001264717892 826820089 /nfs/dbraw/zinc/82/00/89/826820089.db2.gz OJNDOXCLLGGUEL-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265022933 826836608 /nfs/dbraw/zinc/83/66/08/826836608.db2.gz PTIGWFRKOPTURJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001265022933 826836624 /nfs/dbraw/zinc/83/66/24/826836624.db2.gz PTIGWFRKOPTURJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001265022933 826836635 /nfs/dbraw/zinc/83/66/35/826836635.db2.gz PTIGWFRKOPTURJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)[C@@H](C)C(N)=O ZINC001265145871 826851655 /nfs/dbraw/zinc/85/16/55/826851655.db2.gz CZHWOJXFPXVLGX-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001265276247 826872549 /nfs/dbraw/zinc/87/25/49/826872549.db2.gz AXVHNZBZGNJADM-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001265276247 826872560 /nfs/dbraw/zinc/87/25/60/826872560.db2.gz AXVHNZBZGNJADM-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265276247 826872571 /nfs/dbraw/zinc/87/25/71/826872571.db2.gz AXVHNZBZGNJADM-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265276247 826872580 /nfs/dbraw/zinc/87/25/80/826872580.db2.gz AXVHNZBZGNJADM-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCO)C1CC1 ZINC001265350754 826884810 /nfs/dbraw/zinc/88/48/10/826884810.db2.gz XCQKCPXNNGHJLS-RYUDHWBXSA-N 2 1 255.362 -0.443 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001265459660 826894225 /nfs/dbraw/zinc/89/42/25/826894225.db2.gz HXWYMWYSVVISRW-JTQLQIEISA-N 2 1 256.350 -0.998 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001265531547 826901378 /nfs/dbraw/zinc/90/13/78/826901378.db2.gz NCXFPFGYIPCZDM-AXFHLTTASA-N 2 1 268.361 -0.937 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCOCCO ZINC001265864756 826932276 /nfs/dbraw/zinc/93/22/76/826932276.db2.gz WJSQDFGMDLNMBQ-NWDGAFQWSA-N 2 1 273.377 -0.959 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCOCCO ZINC001265864758 826932570 /nfs/dbraw/zinc/93/25/70/826932570.db2.gz WJSQDFGMDLNMBQ-RYUDHWBXSA-N 2 1 273.377 -0.959 20 0 CBADMP C[NH+](C)CCC(=O)NCCC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001266231251 826961960 /nfs/dbraw/zinc/96/19/60/826961960.db2.gz DLNXVHVUWNQGNA-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC001266237427 826962115 /nfs/dbraw/zinc/96/21/15/826962115.db2.gz VUZROXDGJUAOCJ-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001266262882 826967472 /nfs/dbraw/zinc/96/74/72/826967472.db2.gz WBKYDQWUWCNEDR-MNOVXSKESA-N 2 1 268.361 -0.983 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001266262882 826967474 /nfs/dbraw/zinc/96/74/74/826967474.db2.gz WBKYDQWUWCNEDR-MNOVXSKESA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCNC1=O ZINC001266262882 826967476 /nfs/dbraw/zinc/96/74/76/826967476.db2.gz WBKYDQWUWCNEDR-MNOVXSKESA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCNC1=O ZINC001266262882 826967478 /nfs/dbraw/zinc/96/74/78/826967478.db2.gz WBKYDQWUWCNEDR-MNOVXSKESA-N 2 1 268.361 -0.983 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOCCO)C1 ZINC001266336856 826983183 /nfs/dbraw/zinc/98/31/83/826983183.db2.gz XMEIGJBVVJIOFT-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCOCCO)C1 ZINC001266336856 826983187 /nfs/dbraw/zinc/98/31/87/826983187.db2.gz XMEIGJBVVJIOFT-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001266336856 826983194 /nfs/dbraw/zinc/98/31/94/826983194.db2.gz XMEIGJBVVJIOFT-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001266401862 826995732 /nfs/dbraw/zinc/99/57/32/826995732.db2.gz UGZYTTYKSVDLOX-OLZOCXBDSA-N 2 1 285.388 -0.552 20 0 CBADMP COCC[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001266401862 826995736 /nfs/dbraw/zinc/99/57/36/826995736.db2.gz UGZYTTYKSVDLOX-OLZOCXBDSA-N 2 1 285.388 -0.552 20 0 CBADMP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001266585209 827025815 /nfs/dbraw/zinc/02/58/15/827025815.db2.gz WKOSYAHNDYNCKZ-IHRRRGAJSA-N 2 1 299.415 -0.021 20 0 CBADMP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001266585209 827025825 /nfs/dbraw/zinc/02/58/25/827025825.db2.gz WKOSYAHNDYNCKZ-IHRRRGAJSA-N 2 1 299.415 -0.021 20 0 CBADMP CN(CC[NH2+]CCN1CCCC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001266659854 827041574 /nfs/dbraw/zinc/04/15/74/827041574.db2.gz IRAHZQLAUIRPOB-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CN(C)C(=O)C[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001266731195 827057517 /nfs/dbraw/zinc/05/75/17/827057517.db2.gz UZIXMVFASNLJJC-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001266808422 827071349 /nfs/dbraw/zinc/07/13/49/827071349.db2.gz ICNTYGFFUPZFHQ-JTQLQIEISA-N 2 1 256.350 -0.996 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CCO ZINC001266965438 827098717 /nfs/dbraw/zinc/09/87/17/827098717.db2.gz UMNDLFFLXBNCJZ-SRVKXCTJSA-N 2 1 257.378 -0.197 20 0 CBADMP COCC[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001266977821 827101500 /nfs/dbraw/zinc/10/15/00/827101500.db2.gz DAFDCPHAGSLYSB-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CCCO ZINC001266984512 827103098 /nfs/dbraw/zinc/10/30/98/827103098.db2.gz BYFJRXJGIJRNTL-VXGBXAGGSA-N 2 1 257.378 -0.195 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]CCO)C2)C1 ZINC001267065397 827111719 /nfs/dbraw/zinc/11/17/19/827111719.db2.gz TXYPYZLEXSTGTB-STQMWFEESA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@@H+](C)CCn1cncn1 ZINC001267215030 827131199 /nfs/dbraw/zinc/13/11/99/827131199.db2.gz GEUSAGJEWKZLGW-UHFFFAOYSA-N 2 1 268.365 -0.722 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001267300086 827145797 /nfs/dbraw/zinc/14/57/97/827145797.db2.gz KKHYPGXTAAWXTL-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001267355795 827156401 /nfs/dbraw/zinc/15/64/01/827156401.db2.gz ZZWOQGZBWARTJS-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CCOCCC[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267359098 827157842 /nfs/dbraw/zinc/15/78/42/827157842.db2.gz AHQVHKXVBCUREP-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CCOCCC[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267359098 827157849 /nfs/dbraw/zinc/15/78/49/827157849.db2.gz AHQVHKXVBCUREP-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001267391322 827164910 /nfs/dbraw/zinc/16/49/10/827164910.db2.gz GMZHNLVFFREBDH-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C)C(=O)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267456102 827173680 /nfs/dbraw/zinc/17/36/80/827173680.db2.gz LNWGSVACFWXJGM-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC2C[NH+](CCO)C2)C1 ZINC001267695562 827201347 /nfs/dbraw/zinc/20/13/47/827201347.db2.gz ACEOQBHECIAROY-NSHDSACASA-N 2 1 255.362 -0.632 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001267899712 827231732 /nfs/dbraw/zinc/23/17/32/827231732.db2.gz OFYCFEJXZLZOTJ-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001267899710 827232350 /nfs/dbraw/zinc/23/23/50/827232350.db2.gz OFYCFEJXZLZOTJ-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001268215586 827261872 /nfs/dbraw/zinc/26/18/72/827261872.db2.gz QDYCCKNUDPXTJT-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP COCCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268298281 827282851 /nfs/dbraw/zinc/28/28/51/827282851.db2.gz MONHWNZAHUSMTK-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP COCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268320904 827298245 /nfs/dbraw/zinc/29/82/45/827298245.db2.gz QAWKRGQMYRERJL-AVGNSLFASA-N 2 1 287.404 -0.570 20 0 CBADMP CCCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001268334002 827307624 /nfs/dbraw/zinc/30/76/24/827307624.db2.gz IZNWYHZMCIUONJ-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP CCCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001268334002 827307631 /nfs/dbraw/zinc/30/76/31/827307631.db2.gz IZNWYHZMCIUONJ-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC=C(C)C)C1 ZINC001268335063 827308315 /nfs/dbraw/zinc/30/83/15/827308315.db2.gz OKRLDTAAXZOOFD-KBPBESRZSA-N 2 1 299.415 -0.260 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC=C(C)C)C1 ZINC001268335063 827308321 /nfs/dbraw/zinc/30/83/21/827308321.db2.gz OKRLDTAAXZOOFD-KBPBESRZSA-N 2 1 299.415 -0.260 20 0 CBADMP C[C@H](CC[NH2+]CCn1cncn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268350298 827313447 /nfs/dbraw/zinc/31/34/47/827313447.db2.gz OOAHMOPHZRBGQZ-CHWSQXEVSA-N 2 1 294.403 -0.143 20 0 CBADMP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268391112 827320425 /nfs/dbraw/zinc/32/04/25/827320425.db2.gz AQDWOAKMRWNXKI-WOPDTQHZSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H]([NH2+]C/C=C\CNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001268550914 827362517 /nfs/dbraw/zinc/36/25/17/827362517.db2.gz XADQQHXNZKUFOX-BYCRGOAPSA-N 2 1 282.388 -0.394 20 0 CBADMP C[C@@H]([NH2+]C/C=C/CNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001268550916 827363148 /nfs/dbraw/zinc/36/31/48/827363148.db2.gz XADQQHXNZKUFOX-PGLGOXFNSA-N 2 1 282.388 -0.394 20 0 CBADMP CNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001268557077 827365940 /nfs/dbraw/zinc/36/59/40/827365940.db2.gz SMSQJGCQNTVEHE-ZYOFXKKJSA-N 2 1 282.388 -0.521 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)Cn1c[nH+]cc1C ZINC001268568353 827366851 /nfs/dbraw/zinc/36/68/51/827366851.db2.gz RXRZCANVNOMPJP-QMAVJUDZSA-N 2 1 293.371 -0.412 20 0 CBADMP CC[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001268579980 827369312 /nfs/dbraw/zinc/36/93/12/827369312.db2.gz UTFGTWXRSJWXBH-AAAGKOELSA-N 2 1 296.415 -0.003 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001268597391 827375164 /nfs/dbraw/zinc/37/51/64/827375164.db2.gz RYTAPXNGGFPLLW-ZFDPJTLLSA-N 2 1 296.415 -0.003 20 0 CBADMP CC(C)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268628211 827382098 /nfs/dbraw/zinc/38/20/98/827382098.db2.gz ZQYOZJIMMIQQEH-DSYXLKISSA-N 2 1 296.415 -0.275 20 0 CBADMP Cn1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001268625174 827382984 /nfs/dbraw/zinc/38/29/84/827382984.db2.gz FIXFHNRIYOQDEX-AAOUONPWSA-N 2 1 292.387 -0.471 20 0 CBADMP Cn1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001268625174 827382990 /nfs/dbraw/zinc/38/29/90/827382990.db2.gz FIXFHNRIYOQDEX-AAOUONPWSA-N 2 1 292.387 -0.471 20 0 CBADMP C[C@H](C[NH2+]CCn1cncn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001268638977 827386660 /nfs/dbraw/zinc/38/66/60/827386660.db2.gz BOURXGDGFQNVKF-NEPJUHHUSA-N 2 1 280.376 -0.533 20 0 CBADMP C[C@H](C[NH2+]CCO)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001268671349 827398116 /nfs/dbraw/zinc/39/81/16/827398116.db2.gz XUMATABVNGOZLU-YPMHNXCESA-N 2 1 255.362 -0.441 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268847233 827430488 /nfs/dbraw/zinc/43/04/88/827430488.db2.gz FZWGCLAGFOEJNE-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOCCO)C1 ZINC001268988574 827446707 /nfs/dbraw/zinc/44/67/07/827446707.db2.gz RFGCDABNXUBFTG-RDBSUJKOSA-N 2 1 297.399 -0.768 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOCCO)C1 ZINC001268988574 827446711 /nfs/dbraw/zinc/44/67/11/827446711.db2.gz RFGCDABNXUBFTG-RDBSUJKOSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOCCO)C1 ZINC001268988574 827446713 /nfs/dbraw/zinc/44/67/13/827446713.db2.gz RFGCDABNXUBFTG-RDBSUJKOSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOCCO)C1 ZINC001268988574 827446716 /nfs/dbraw/zinc/44/67/16/827446716.db2.gz RFGCDABNXUBFTG-RDBSUJKOSA-N 2 1 297.399 -0.768 20 0 CBADMP CN(CC(=O)N1CCC2(CC[N@@H+](C)C2)CC1)C(N)=[NH2+] ZINC001268995889 827447130 /nfs/dbraw/zinc/44/71/30/827447130.db2.gz DYQKWRCFIFPVOO-UHFFFAOYSA-N 2 1 267.377 -0.244 20 0 CBADMP CC[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CCO ZINC001269472128 827513027 /nfs/dbraw/zinc/51/30/27/827513027.db2.gz VSULKBZFCOMGKC-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001269522873 827516554 /nfs/dbraw/zinc/51/65/54/827516554.db2.gz UJUIITYNTJVKHT-VXGBXAGGSA-N 2 1 269.389 -0.053 20 0 CBADMP CN1CCN(CC(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3C)CC1 ZINC001270701931 827589977 /nfs/dbraw/zinc/58/99/77/827589977.db2.gz AQDNGPNRGZFIMY-STQMWFEESA-N 2 1 266.389 -0.461 20 0 CBADMP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC[NH+](C)CC1 ZINC001270701931 827589980 /nfs/dbraw/zinc/58/99/80/827589980.db2.gz AQDNGPNRGZFIMY-STQMWFEESA-N 2 1 266.389 -0.461 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC[NH+](C)CC1 ZINC001270701931 827589981 /nfs/dbraw/zinc/58/99/81/827589981.db2.gz AQDNGPNRGZFIMY-STQMWFEESA-N 2 1 266.389 -0.461 20 0 CBADMP C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001270980920 827612145 /nfs/dbraw/zinc/61/21/45/827612145.db2.gz ZYACXELRSVIHNP-ZDUSSCGKSA-N 2 1 296.415 -0.977 20 0 CBADMP C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001270980920 827612147 /nfs/dbraw/zinc/61/21/47/827612147.db2.gz ZYACXELRSVIHNP-ZDUSSCGKSA-N 2 1 296.415 -0.977 20 0 CBADMP CC[N@@H+](C)CC(=O)N1CC2(CCN2CC[NH+](C)C)C1 ZINC001271083103 827619298 /nfs/dbraw/zinc/61/92/98/827619298.db2.gz ADWVOOSZVAUXLQ-UHFFFAOYSA-N 2 1 268.405 -0.214 20 0 CBADMP C[C@@H](C[NH2+]CCO)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001271100267 827622701 /nfs/dbraw/zinc/62/27/01/827622701.db2.gz GUJFDMFEXPQEBR-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[NH+](C)CCN1CCC12CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001271223193 827678349 /nfs/dbraw/zinc/67/83/49/827678349.db2.gz OGKYXMBHJRBZRJ-CYBMUJFWSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001272273457 827776060 /nfs/dbraw/zinc/77/60/60/827776060.db2.gz LKJSHVTXCBPAME-CRWXNKLISA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001272273457 827776067 /nfs/dbraw/zinc/77/60/67/827776067.db2.gz LKJSHVTXCBPAME-CRWXNKLISA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001272273457 827776073 /nfs/dbraw/zinc/77/60/73/827776073.db2.gz LKJSHVTXCBPAME-CRWXNKLISA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H](O)C[N@H+]1C ZINC001272272859 827776337 /nfs/dbraw/zinc/77/63/37/827776337.db2.gz CCRSYDCIIDHLTB-DMGDTADUSA-N 2 1 267.373 -0.207 20 0 CBADMP CCC[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001272451721 827800822 /nfs/dbraw/zinc/80/08/22/827800822.db2.gz DOGBTYOLMLQRFU-UHFFFAOYSA-N 2 1 255.362 -0.129 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1)C1CCC1 ZINC001272457478 827803151 /nfs/dbraw/zinc/80/31/51/827803151.db2.gz QOMBMKAHWYRBFI-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCF ZINC001272496346 827808716 /nfs/dbraw/zinc/80/87/16/827808716.db2.gz NOZPUPOKZXWFFA-QWRGUYRKSA-N 2 1 261.341 -0.493 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCF ZINC001272582926 827824915 /nfs/dbraw/zinc/82/49/15/827824915.db2.gz DFXZIXKUVRUAJN-NEPJUHHUSA-N 2 1 275.368 -0.103 20 0 CBADMP C[C@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001272688019 827833054 /nfs/dbraw/zinc/83/30/54/827833054.db2.gz FDAKPBGFCFDFIQ-YPMHNXCESA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](CC[NH2+]CCCO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001272704939 827836583 /nfs/dbraw/zinc/83/65/83/827836583.db2.gz XFCWYULNKZIIPM-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@H](CC[NH2+]CCCO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001272704939 827836588 /nfs/dbraw/zinc/83/65/88/827836588.db2.gz XFCWYULNKZIIPM-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](O)C3)[C@@H]2C1 ZINC001273069992 827862098 /nfs/dbraw/zinc/86/20/98/827862098.db2.gz OYONUIJOLKNUPC-QJPTWQEYSA-N 2 1 253.346 -0.785 20 0 CBADMP C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](O)C3)[C@@H]2C1 ZINC001273069992 827862104 /nfs/dbraw/zinc/86/21/04/827862104.db2.gz OYONUIJOLKNUPC-QJPTWQEYSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)[C@@H]2C1 ZINC001273069992 827862108 /nfs/dbraw/zinc/86/21/08/827862108.db2.gz OYONUIJOLKNUPC-QJPTWQEYSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](O)C3)[C@@H]2C1 ZINC001273069992 827862111 /nfs/dbraw/zinc/86/21/11/827862111.db2.gz OYONUIJOLKNUPC-QJPTWQEYSA-N 2 1 253.346 -0.785 20 0 CBADMP CCCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273175948 827872344 /nfs/dbraw/zinc/87/23/44/827872344.db2.gz MVHHXPIMVWLWTI-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@H]1CCC[N@H+]1C ZINC001273298490 827888407 /nfs/dbraw/zinc/88/84/07/827888407.db2.gz QRYXFECXYXGWMP-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2CN(C(=O)C[NH+]3CCC3)C[C@H](C1)O2 ZINC001273366610 827895402 /nfs/dbraw/zinc/89/54/02/827895402.db2.gz HQIDKJLSUJIHQH-OKILXGFUSA-N 2 1 296.415 -0.835 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC1CC1 ZINC001273912208 827941330 /nfs/dbraw/zinc/94/13/30/827941330.db2.gz WYCRGVALIKPUGW-ZRMMWKCHSA-N 2 1 294.399 -0.379 20 0 CBADMP COC(=O)C[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273931481 827943593 /nfs/dbraw/zinc/94/35/93/827943593.db2.gz LGBSCKDIDCJZNI-AWEZNQCLSA-N 2 1 283.372 -0.355 20 0 CBADMP CCOCC[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273958192 827946725 /nfs/dbraw/zinc/94/67/25/827946725.db2.gz AOIRMLSWMRIEMG-HNNXBMFYSA-N 2 1 299.415 -0.112 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274047321 827956208 /nfs/dbraw/zinc/95/62/08/827956208.db2.gz OBXIGXXZAVSUOD-JSGCOSHPSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274045834 827956497 /nfs/dbraw/zinc/95/64/97/827956497.db2.gz ABUICSFZDHGUBH-SWLSCSKDSA-N 2 1 297.399 -0.230 20 0 CBADMP CCNC(=O)C[NH2+]C/C=C\CNC(=O)Cn1c[nH+]cc1C ZINC001274202297 827973560 /nfs/dbraw/zinc/97/35/60/827973560.db2.gz NIOHNMBCGWIRAY-PLNGDYQASA-N 2 1 293.371 -0.410 20 0 CBADMP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001274262826 827979303 /nfs/dbraw/zinc/97/93/03/827979303.db2.gz IQVZDDNPBFUQSR-CBZSPVTBSA-N 2 1 268.361 -0.784 20 0 CBADMP CNC(=O)C[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001274498642 827994895 /nfs/dbraw/zinc/99/48/95/827994895.db2.gz PNKSMYBZLBFHOO-PCAWENJQSA-N 2 1 282.388 -0.664 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CCCO)CC1 ZINC001274502556 827995295 /nfs/dbraw/zinc/99/52/95/827995295.db2.gz UAZUVBYAOQKBLU-CYBMUJFWSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC2CC2)C1 ZINC001274578078 828003034 /nfs/dbraw/zinc/00/30/34/828003034.db2.gz FBONLOBBJLDQJV-JDGPPOGSSA-N 2 1 294.399 -0.521 20 0 CBADMP C[NH+](C)CCN1C(=O)COCC12C[NH+](CC(C)(C)O)C2 ZINC001274594182 828005944 /nfs/dbraw/zinc/00/59/44/828005944.db2.gz ZKGKBNSDPFXTSP-UHFFFAOYSA-N 2 1 285.388 -0.768 20 0 CBADMP COCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001274981503 828048353 /nfs/dbraw/zinc/04/83/53/828048353.db2.gz JRAGRPVHEBMZPT-BETUJISGSA-N 2 1 257.378 -0.421 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](C)C[C@]2(CCCC(=O)N2)C1 ZINC001275047458 828053292 /nfs/dbraw/zinc/05/32/92/828053292.db2.gz UJUBYRHBHOGSFA-CQSZACIVSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCC(=O)N1)C2 ZINC001275189192 828064967 /nfs/dbraw/zinc/06/49/67/828064967.db2.gz ZIVKYOGGWRXIJH-RDBSUJKOSA-N 2 1 280.416 -0.167 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2C[C@@H]1CCC(=O)N1 ZINC001275189124 828065102 /nfs/dbraw/zinc/06/51/02/828065102.db2.gz XJDCHDBYPVQWCW-RWMBFGLXSA-N 2 1 266.389 -0.415 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2C[C@@H]1CCC(=O)N1 ZINC001275189124 828065107 /nfs/dbraw/zinc/06/51/07/828065107.db2.gz XJDCHDBYPVQWCW-RWMBFGLXSA-N 2 1 266.389 -0.415 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001275445248 828087457 /nfs/dbraw/zinc/08/74/57/828087457.db2.gz AVUYSZNODOTFPS-IUCAKERBSA-N 2 1 267.333 -0.840 20 0 CBADMP C[NH+](C)CCN1CCC12C[NH+](CCN1CCOCC1)C2 ZINC001275990237 828128771 /nfs/dbraw/zinc/12/87/71/828128771.db2.gz DBSOFYZWVIARJJ-UHFFFAOYSA-N 2 1 282.432 -0.360 20 0 CBADMP CCCC[C@H](C[NH2+]CCO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001276249672 828138753 /nfs/dbraw/zinc/13/87/53/828138753.db2.gz GXCCFOHIVJLUJH-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CCCC[C@H](C[NH2+]CCO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001276249672 828138755 /nfs/dbraw/zinc/13/87/55/828138755.db2.gz GXCCFOHIVJLUJH-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CCO)C1 ZINC001276448709 828146602 /nfs/dbraw/zinc/14/66/02/828146602.db2.gz ZCNFHDCGCJWHET-NSHDSACASA-N 2 1 257.378 -0.243 20 0 CBADMP COCCC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001276940052 828167676 /nfs/dbraw/zinc/16/76/76/828167676.db2.gz JSVRMFIKYLYYET-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP COCCC[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001276940052 828167678 /nfs/dbraw/zinc/16/76/78/828167678.db2.gz JSVRMFIKYLYYET-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CCCO ZINC001276963922 828169086 /nfs/dbraw/zinc/16/90/86/828169086.db2.gz NVEUVJZVNIPFIW-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001276963922 828169088 /nfs/dbraw/zinc/16/90/88/828169088.db2.gz NVEUVJZVNIPFIW-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001276963922 828169090 /nfs/dbraw/zinc/16/90/90/828169090.db2.gz NVEUVJZVNIPFIW-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001277093943 828175417 /nfs/dbraw/zinc/17/54/17/828175417.db2.gz GHDYRVYTSHCKRQ-JTQLQIEISA-N 2 1 268.361 -0.806 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2C[N@@H+](C[C@H]3COCCO3)C[C@H](C1)O2 ZINC001277526561 828193181 /nfs/dbraw/zinc/19/31/81/828193181.db2.gz IBFLYOHXGYAHOC-ZNMIVQPWSA-N 2 1 299.415 -0.652 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](C[C@H]3COCCO3)C[C@H](C1)O2 ZINC001277526561 828193182 /nfs/dbraw/zinc/19/31/82/828193182.db2.gz IBFLYOHXGYAHOC-ZNMIVQPWSA-N 2 1 299.415 -0.652 20 0 CBADMP Cn1nncc1C[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277602878 828197884 /nfs/dbraw/zinc/19/78/84/828197884.db2.gz XEUCFZIRDWBTOW-GXTWGEPZSA-N 2 1 278.404 -0.117 20 0 CBADMP Cn1nncc1C[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277602878 828197888 /nfs/dbraw/zinc/19/78/88/828197888.db2.gz XEUCFZIRDWBTOW-GXTWGEPZSA-N 2 1 278.404 -0.117 20 0 CBADMP CN(C)C(=O)CC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277637406 828200275 /nfs/dbraw/zinc/20/02/75/828200275.db2.gz WTHLWXGGNGIBIJ-KGLIPLIRSA-N 2 1 298.431 -0.589 20 0 CBADMP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)CC1 ZINC001277839872 828213130 /nfs/dbraw/zinc/21/31/30/828213130.db2.gz ZPFXWLXIHJHFMZ-NWDGAFQWSA-N 2 1 280.372 -0.110 20 0 CBADMP CC(=O)NCC[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001277909724 828217882 /nfs/dbraw/zinc/21/78/82/828217882.db2.gz GARZKYXPGRTWOU-UHFFFAOYSA-N 2 1 268.405 -0.308 20 0 CBADMP C[C@H](CO)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001277994372 828228186 /nfs/dbraw/zinc/22/81/86/828228186.db2.gz MNHIBXWBJYKOOG-YNEHKIRRSA-N 2 1 281.400 -0.243 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001278027368 828231488 /nfs/dbraw/zinc/23/14/88/828231488.db2.gz DGRRQZPUQXZPRA-QWHCGFSZSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1[C@H]2COC[C@@H]1C[N@@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001278117586 828248643 /nfs/dbraw/zinc/24/86/43/828248643.db2.gz SYAXYTGRGGRKAT-GASCZTMLSA-N 2 1 282.432 -0.361 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CCF)C1 ZINC001278155298 828253290 /nfs/dbraw/zinc/25/32/90/828253290.db2.gz OXRYGKLXFYZOEW-WDEREUQCSA-N 2 1 261.341 -0.636 20 0 CBADMP CC(C)[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001278179656 828256962 /nfs/dbraw/zinc/25/69/62/828256962.db2.gz SVNQJSZBVUOSNN-NEPJUHHUSA-N 2 1 257.378 -0.197 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CCCO)C(C)(C)C2)C1 ZINC001278630742 828275054 /nfs/dbraw/zinc/27/50/54/828275054.db2.gz NNNVQIIBWSHUSN-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CCCO)C(C)(C)C2)C1 ZINC001278630742 828275063 /nfs/dbraw/zinc/27/50/63/828275063.db2.gz NNNVQIIBWSHUSN-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CCCO)C(C)(C)C2)C1 ZINC001278630744 828275396 /nfs/dbraw/zinc/27/53/96/828275396.db2.gz NNNVQIIBWSHUSN-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CCCO)C(C)(C)C2)C1 ZINC001278630744 828275401 /nfs/dbraw/zinc/27/54/01/828275401.db2.gz NNNVQIIBWSHUSN-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP CN(C[C@@H](O)C[NH2+]CCF)C(=O)[C@@H]1CCC[N@H+]1C ZINC001278737763 828280056 /nfs/dbraw/zinc/28/00/56/828280056.db2.gz UHVVTHJGFGJRLU-QWRGUYRKSA-N 2 1 261.341 -0.541 20 0 CBADMP COCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001278790650 828289351 /nfs/dbraw/zinc/28/93/51/828289351.db2.gz HECIPQVFZKDGCS-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[C@@H](C(=O)NCC1(O)C[NH+](CC2CC2)C1)[NH+](C)C ZINC001278907141 828307014 /nfs/dbraw/zinc/30/70/14/828307014.db2.gz LBKQJDZUHBBRAX-LBPRGKRZSA-N 2 1 269.389 -0.101 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCO)C1 ZINC001279124510 828317164 /nfs/dbraw/zinc/31/71/64/828317164.db2.gz LQJUEYGFLQJARD-YPMHNXCESA-N 2 1 280.372 -0.132 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC001348308658 890593657 /nfs/dbraw/zinc/59/36/57/890593657.db2.gz OUUVQCNOHDALLQ-OUAUKWLOSA-N 2 1 268.361 -0.937 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001348649020 890675983 /nfs/dbraw/zinc/67/59/83/890675983.db2.gz UWLRQDGDBRVDAO-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC[N@H+]1C ZINC001348715161 890687126 /nfs/dbraw/zinc/68/71/26/890687126.db2.gz UTSUNFDVUKEDGI-VXGBXAGGSA-N 2 1 284.404 -0.409 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001422194328 907743562 /nfs/dbraw/zinc/74/35/62/907743562.db2.gz DWJTWJKSZGJALZ-NSHDSACASA-N 2 1 272.393 -0.408 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001422194328 907743578 /nfs/dbraw/zinc/74/35/78/907743578.db2.gz DWJTWJKSZGJALZ-NSHDSACASA-N 2 1 272.393 -0.408 20 0 CBADMP CC[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001326092119 884904791 /nfs/dbraw/zinc/90/47/91/884904791.db2.gz VEVHJIYHAPEYGL-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP NC(=O)NC(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326276417 884967096 /nfs/dbraw/zinc/96/70/96/884967096.db2.gz AIQQEUODEQNCTB-UHFFFAOYSA-N 2 1 254.334 -0.353 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)c1cnn(C)c1 ZINC001326393926 885013897 /nfs/dbraw/zinc/01/38/97/885013897.db2.gz IFTZTRLFAMUOOW-CMPLNLGQSA-N 2 1 265.361 -0.252 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)c1cnn(C)c1 ZINC001326393926 885013910 /nfs/dbraw/zinc/01/39/10/885013910.db2.gz IFTZTRLFAMUOOW-CMPLNLGQSA-N 2 1 265.361 -0.252 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC[C@H]1[NH3+] ZINC001326501400 885049688 /nfs/dbraw/zinc/04/96/88/885049688.db2.gz DYNOBXYBQZMPKM-FRRDWIJNSA-N 3 1 268.405 -0.147 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC[C@H](C)[NH2+]C)CC1 ZINC001327550382 885401282 /nfs/dbraw/zinc/40/12/82/885401282.db2.gz HABGDPBRGNFNTN-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001327578627 885413389 /nfs/dbraw/zinc/41/33/89/885413389.db2.gz ITURJCAWJOVXLG-VHSXEESVSA-N 2 1 251.334 -0.499 20 0 CBADMP O=C(C[N@H+]1CCC[C@@H]2OCC[C@@H]21)N1CC[NH2+]CC1 ZINC001329924925 886280267 /nfs/dbraw/zinc/28/02/67/886280267.db2.gz FPKQSDSJERRBCD-RYUDHWBXSA-N 2 1 253.346 -0.329 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001330365445 886427915 /nfs/dbraw/zinc/42/79/15/886427915.db2.gz PJYUUMVSTPTZRU-XYYAHUGASA-N 2 1 269.389 -0.387 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001330365445 886427922 /nfs/dbraw/zinc/42/79/22/886427922.db2.gz PJYUUMVSTPTZRU-XYYAHUGASA-N 2 1 269.389 -0.387 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001330365445 886427932 /nfs/dbraw/zinc/42/79/32/886427932.db2.gz PJYUUMVSTPTZRU-XYYAHUGASA-N 2 1 269.389 -0.387 20 0 CBADMP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001331052825 886660264 /nfs/dbraw/zinc/66/02/64/886660264.db2.gz KDZJKJHEWUVUKE-OPRDCNLKSA-N 2 1 250.302 -0.382 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001331406929 886795406 /nfs/dbraw/zinc/79/54/06/886795406.db2.gz PICCISDWSISZES-NXEZZACHSA-N 2 1 256.350 -0.998 20 0 CBADMP C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC001331771615 886967860 /nfs/dbraw/zinc/96/78/60/886967860.db2.gz SECQRTKXJJEQGX-NWDGAFQWSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC001331836525 887006657 /nfs/dbraw/zinc/00/66/57/887006657.db2.gz XFJNVQHXNHHVER-NSHDSACASA-N 2 1 282.388 -0.511 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]CC(C)C ZINC001331834778 887006755 /nfs/dbraw/zinc/00/67/55/887006755.db2.gz JUOLCLNKIOVSCU-LBPRGKRZSA-N 2 1 268.361 -0.086 20 0 CBADMP [NH3+]C[C@@H](O)CCc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC001333055328 887512925 /nfs/dbraw/zinc/51/29/25/887512925.db2.gz HIEXOPGIEALXEG-LBPRGKRZSA-N 2 1 263.301 -0.593 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCOC1 ZINC001333039434 887507973 /nfs/dbraw/zinc/50/79/73/887507973.db2.gz BHNIDNBMCAYRIN-LBPRGKRZSA-N 2 1 270.377 -0.141 20 0 CBADMP C[NH+](C)CCN1CCC(C[NH2+]CCC(=O)NC(N)=O)CC1 ZINC001335350320 888511757 /nfs/dbraw/zinc/51/17/57/888511757.db2.gz GQBRARUAQPXWSK-UHFFFAOYSA-N 2 1 299.419 -0.565 20 0 CBADMP CC[NH2+]CCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001336905765 888916399 /nfs/dbraw/zinc/91/63/99/888916399.db2.gz IXVZWJIBGFEFFH-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCCCC[NH3+])CCC1(C)C ZINC001337456143 889014736 /nfs/dbraw/zinc/01/47/36/889014736.db2.gz SYAQKXFSFKBRRM-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP [NH3+]C1(CNC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC001338609902 889181442 /nfs/dbraw/zinc/18/14/42/889181442.db2.gz LGNHUIVGGGMPIJ-UHFFFAOYSA-N 2 1 256.350 -0.501 20 0 CBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CO)[C@H](C)C1 ZINC001340092315 889382969 /nfs/dbraw/zinc/38/29/69/889382969.db2.gz AELYAQICDSRSEP-UPJWGTAASA-N 2 1 287.404 -0.441 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001340538733 889446728 /nfs/dbraw/zinc/44/67/28/889446728.db2.gz JUAOWSJKABCAHH-ZDUSSCGKSA-N 2 1 270.421 -0.016 20 0 CBADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](O)C[NH3+] ZINC001340753033 889478999 /nfs/dbraw/zinc/47/89/99/889478999.db2.gz DIVUCHSDSJMOTC-VHSXEESVSA-N 2 1 254.334 -0.168 20 0 CBADMP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CC[NH2+]C[C@@H]1CO ZINC001340953926 889522355 /nfs/dbraw/zinc/52/23/55/889522355.db2.gz PHQUZPTTZXIYCT-UPJWGTAASA-N 2 1 267.373 -0.204 20 0 CBADMP C[C@@H]([NH3+])CC(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001341035377 889537479 /nfs/dbraw/zinc/53/74/79/889537479.db2.gz IEIAOZPSZKEUBZ-RNCFNFMXSA-N 2 1 263.345 -0.280 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC001341154550 889552077 /nfs/dbraw/zinc/55/20/77/889552077.db2.gz VEXDHBGBQUUGME-IJLUTSLNSA-N 2 1 255.362 -0.240 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC001341154550 889552087 /nfs/dbraw/zinc/55/20/87/889552087.db2.gz VEXDHBGBQUUGME-IJLUTSLNSA-N 2 1 255.362 -0.240 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)CNCC[NH3+] ZINC001341660189 889643122 /nfs/dbraw/zinc/64/31/22/889643122.db2.gz UROLBQFSQXKSBY-SNVBAGLBSA-N 2 1 253.350 -0.508 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC001341675284 889645602 /nfs/dbraw/zinc/64/56/02/889645602.db2.gz KDMLXWDHXRMUIY-OBJOEFQTSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC001341675284 889645616 /nfs/dbraw/zinc/64/56/16/889645616.db2.gz KDMLXWDHXRMUIY-OBJOEFQTSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC1C[NH+](CCCO)C1 ZINC001443614999 912242034 /nfs/dbraw/zinc/24/20/34/912242034.db2.gz KKBLMAMOFMBFDA-UHFFFAOYSA-N 2 1 285.388 -0.861 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCN([C@H](CC)C(N)=O)C1 ZINC001443775871 912272499 /nfs/dbraw/zinc/27/24/99/912272499.db2.gz DFOMQLPNLKVXOS-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H](CC)C(N)=O)C1 ZINC001443775871 912272533 /nfs/dbraw/zinc/27/25/33/912272533.db2.gz DFOMQLPNLKVXOS-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@H](CC)C(N)=O)C1 ZINC001443775871 912272548 /nfs/dbraw/zinc/27/25/48/912272548.db2.gz DFOMQLPNLKVXOS-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@H](CC)C(N)=O)C1 ZINC001443775871 912272561 /nfs/dbraw/zinc/27/25/61/912272561.db2.gz DFOMQLPNLKVXOS-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N[C@]3(C)CC[NH2+]C3)cc2C[NH2+]1 ZINC001342181473 889725695 /nfs/dbraw/zinc/72/56/95/889725695.db2.gz BTQMCGGZXFDPNN-TVQRCGJNSA-N 2 1 263.345 -0.143 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N[C@]3(C)CC[NH2+]C3)cc2C[NH2+]1 ZINC001342181471 889725834 /nfs/dbraw/zinc/72/58/34/889725834.db2.gz BTQMCGGZXFDPNN-NOZJJQNGSA-N 2 1 263.345 -0.143 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001443903506 912298678 /nfs/dbraw/zinc/29/86/78/912298678.db2.gz SULVWRRCEHMQIJ-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001443903506 912298697 /nfs/dbraw/zinc/29/86/97/912298697.db2.gz SULVWRRCEHMQIJ-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001443907738 912303293 /nfs/dbraw/zinc/30/32/93/912303293.db2.gz ZNJIJZUOBFGTQR-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001443941020 912307053 /nfs/dbraw/zinc/30/70/53/912307053.db2.gz YQANOEJKGLMXEJ-WDEREUQCSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001443941018 912310285 /nfs/dbraw/zinc/31/02/85/912310285.db2.gz YQANOEJKGLMXEJ-QWRGUYRKSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]CC(=O)NC ZINC001444026669 912331825 /nfs/dbraw/zinc/33/18/25/912331825.db2.gz DAHXHOVZLMRVLJ-NSHDSACASA-N 2 1 272.393 -0.443 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)C[C@H]1[NH3+] ZINC001342648844 889810021 /nfs/dbraw/zinc/81/00/21/889810021.db2.gz LPEZQMSBRSSNTB-DDHJBXDOSA-N 2 1 252.362 -0.820 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001444089144 912359305 /nfs/dbraw/zinc/35/93/05/912359305.db2.gz PCRCGKOITRGZJK-UHFFFAOYSA-N 2 1 284.404 -0.170 20 0 CBADMP CN1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC[N@H+](C)CC1 ZINC001343026608 889858572 /nfs/dbraw/zinc/85/85/72/889858572.db2.gz VBHULFDRFKQOBP-CQSZACIVSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC[N@@H+](C)CC1 ZINC001343026608 889858595 /nfs/dbraw/zinc/85/85/95/889858595.db2.gz VBHULFDRFKQOBP-CQSZACIVSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@@H+](C)CC1 ZINC001343026782 889859889 /nfs/dbraw/zinc/85/98/89/889859889.db2.gz WVZMEPOGJAHLBK-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001343391698 889898750 /nfs/dbraw/zinc/89/87/50/889898750.db2.gz LPVMZXBHTNFKIK-MDZLAQPJSA-N 2 1 255.362 -0.443 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001343438467 889909829 /nfs/dbraw/zinc/90/98/29/889909829.db2.gz FZONOHYPXSMXNR-AWEZNQCLSA-N 2 1 287.404 -0.425 20 0 CBADMP C[NH2+]CCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001343565817 889932728 /nfs/dbraw/zinc/93/27/28/889932728.db2.gz ANSCXMVECIATPO-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001444321549 912424507 /nfs/dbraw/zinc/42/45/07/912424507.db2.gz FBGYWFGXCDEJLM-NSHDSACASA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001444590341 912474575 /nfs/dbraw/zinc/47/45/75/912474575.db2.gz VGZWNODPJAZRJD-YPMHNXCESA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001444590341 912474586 /nfs/dbraw/zinc/47/45/86/912474586.db2.gz VGZWNODPJAZRJD-YPMHNXCESA-N 2 1 294.403 -0.154 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)CC[NH2+]CC2CC2)CC1 ZINC001344707583 890055382 /nfs/dbraw/zinc/05/53/82/890055382.db2.gz FURPEOUOSXAHLO-UHFFFAOYSA-N 3 1 268.405 -0.085 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001345196778 890110718 /nfs/dbraw/zinc/11/07/18/890110718.db2.gz GEGNRLVJUARGJD-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001444862391 912511901 /nfs/dbraw/zinc/51/19/01/912511901.db2.gz LSLQAEIOFFWJIH-MNOVXSKESA-N 2 1 270.377 -0.704 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001444873932 912514685 /nfs/dbraw/zinc/51/46/85/912514685.db2.gz OVLYJGZKQZKOIN-ZDUSSCGKSA-N 2 1 298.431 -0.053 20 0 CBADMP CN1CC[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001345489646 890134659 /nfs/dbraw/zinc/13/46/59/890134659.db2.gz CTFUSNAJFXTVBW-LBPRGKRZSA-N 2 1 268.405 -0.262 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC001345943600 890181940 /nfs/dbraw/zinc/18/19/40/890181940.db2.gz KPUJXDDDKPTJPX-OLZOCXBDSA-N 3 1 268.405 -0.146 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001346018692 890197455 /nfs/dbraw/zinc/19/74/55/890197455.db2.gz ZJFWFQSKBZQMEY-VXGBXAGGSA-N 3 1 254.378 -0.523 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001346018692 890197465 /nfs/dbraw/zinc/19/74/65/890197465.db2.gz ZJFWFQSKBZQMEY-VXGBXAGGSA-N 3 1 254.378 -0.523 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC001346018228 890197576 /nfs/dbraw/zinc/19/75/76/890197576.db2.gz SRBIAISMOCNPRT-JHJVBQTASA-N 3 1 266.389 -0.523 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC001346018228 890197582 /nfs/dbraw/zinc/19/75/82/890197582.db2.gz SRBIAISMOCNPRT-JHJVBQTASA-N 2 1 266.389 -0.523 20 0 CBADMP [NH3+]CCCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001346208750 890237248 /nfs/dbraw/zinc/23/72/48/890237248.db2.gz BECIXIIUCXPCER-RYUDHWBXSA-N 2 1 255.362 -0.217 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C[NH3+])CC(O)C3)[C@H]2C1 ZINC001346384989 890282408 /nfs/dbraw/zinc/28/24/08/890282408.db2.gz LSQHNKNGDSJEOR-CKXPHIRYSA-N 2 1 267.373 -0.457 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001445271483 912622425 /nfs/dbraw/zinc/62/24/25/912622425.db2.gz RIINZVWCCRGKDW-AWEZNQCLSA-N 2 1 294.399 -0.012 20 0 CBADMP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001445432193 912665804 /nfs/dbraw/zinc/66/58/04/912665804.db2.gz AJLOLQGEWASAKS-GHMZBOCLSA-N 2 1 286.420 -0.068 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001445436328 912666454 /nfs/dbraw/zinc/66/64/54/912666454.db2.gz WGZWTBCTZCMGRP-LLVKDONJSA-N 2 1 282.392 -0.156 20 0 CBADMP CC[C@@H]([NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001445578795 912700757 /nfs/dbraw/zinc/70/07/57/912700757.db2.gz SVTTUJKHYCXGGO-GXSJLCMTSA-N 2 1 281.360 -0.450 20 0 CBADMP CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001445588310 912705457 /nfs/dbraw/zinc/70/54/57/912705457.db2.gz HMEKSSANCYPUPN-SRVKXCTJSA-N 2 1 284.404 -0.171 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001445609576 912713012 /nfs/dbraw/zinc/71/30/12/912713012.db2.gz ZTGNQERHLHOSPP-MNOVXSKESA-N 2 1 270.377 -0.832 20 0 CBADMP C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001445865012 912774836 /nfs/dbraw/zinc/77/48/36/912774836.db2.gz DZOTWUJOEFNFPM-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001445865012 912774840 /nfs/dbraw/zinc/77/48/40/912774840.db2.gz DZOTWUJOEFNFPM-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H](C[N@@H+](C)CCn1cncn1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001445869145 912776481 /nfs/dbraw/zinc/77/64/81/912776481.db2.gz MNUHWHFRNRWHMM-CHWSQXEVSA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@H](C[NH+](C)CCn1cncn1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445869145 912776495 /nfs/dbraw/zinc/77/64/95/912776495.db2.gz MNUHWHFRNRWHMM-CHWSQXEVSA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@H](C[NH+](C)CCn1cncn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445869145 912776510 /nfs/dbraw/zinc/77/65/10/912776510.db2.gz MNUHWHFRNRWHMM-CHWSQXEVSA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001445864995 912776899 /nfs/dbraw/zinc/77/68/99/912776899.db2.gz DZOTWUJOEFNFPM-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001445864995 912776911 /nfs/dbraw/zinc/77/69/11/912776911.db2.gz DZOTWUJOEFNFPM-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001446076863 912811224 /nfs/dbraw/zinc/81/12/24/912811224.db2.gz RDNIKBOAEWVWTM-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001446153023 912825255 /nfs/dbraw/zinc/82/52/55/912825255.db2.gz DUOFKAYCZFBGOR-QWRGUYRKSA-N 2 1 282.388 -0.547 20 0 CBADMP CN1CC[C@@H]([NH2+]CCNC(=O)CCc2cnc[nH]2)C1=O ZINC001128972470 884668323 /nfs/dbraw/zinc/66/83/23/884668323.db2.gz BXNYGCXDBJZTQQ-LLVKDONJSA-N 2 1 279.344 -0.721 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001188145963 884720226 /nfs/dbraw/zinc/72/02/26/884720226.db2.gz TXZVFMBLBBCWRW-NEPJUHHUSA-N 2 1 282.388 -0.594 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188158684 884722221 /nfs/dbraw/zinc/72/22/21/884722221.db2.gz UKYCCNRXPLPVGZ-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1C ZINC001211364634 884771137 /nfs/dbraw/zinc/77/11/37/884771137.db2.gz KZCJBZTUNWFQKS-VXGBXAGGSA-N 2 1 257.378 -0.245 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001211364634 884771142 /nfs/dbraw/zinc/77/11/42/884771142.db2.gz KZCJBZTUNWFQKS-VXGBXAGGSA-N 2 1 257.378 -0.245 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001211364634 884771156 /nfs/dbraw/zinc/77/11/56/884771156.db2.gz KZCJBZTUNWFQKS-VXGBXAGGSA-N 2 1 257.378 -0.245 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399938 884778884 /nfs/dbraw/zinc/77/88/84/884778884.db2.gz RWKOXPOKYAWVEE-JHJVBQTASA-N 2 1 287.404 -0.620 20 0 CBADMP CN1CCN(C(=O)c2csc(C[NH3+])n2)[C@@H](C[NH3+])C1 ZINC001326087643 884905514 /nfs/dbraw/zinc/90/55/14/884905514.db2.gz KRKPJZVYVGAKBF-QMMMGPOBSA-N 2 1 269.374 -0.683 20 0 CBADMP C[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)N1CC[NH+](C)CC1 ZINC001326276765 884969381 /nfs/dbraw/zinc/96/93/81/884969381.db2.gz WEZBVPYRHQKUQG-NWDGAFQWSA-N 2 1 254.378 -0.571 20 0 CBADMP C[C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)N1CC[NH+](C)CC1 ZINC001326276766 884969621 /nfs/dbraw/zinc/96/96/21/884969621.db2.gz WEZBVPYRHQKUQG-RYUDHWBXSA-N 2 1 254.378 -0.571 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC001326292070 884972453 /nfs/dbraw/zinc/97/24/53/884972453.db2.gz MVAAAMOSXONIGB-ONGXEEELSA-N 2 1 253.350 -0.205 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001326299665 884977399 /nfs/dbraw/zinc/97/73/99/884977399.db2.gz TXTGHVXYDFMMLS-DCAQKATOSA-N 2 1 269.345 -0.380 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC001326309521 884981181 /nfs/dbraw/zinc/98/11/81/884981181.db2.gz NDLVLWSJRNMMEX-OLZOCXBDSA-N 2 1 268.405 -0.310 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1 ZINC001326352730 884999949 /nfs/dbraw/zinc/99/99/49/884999949.db2.gz JSCOPFDUAVSJFC-ZJUUUORDSA-N 2 1 263.345 -0.080 20 0 CBADMP CC[NH+]1CCN(CCCCNC(=O)CC[NH3+])CC1 ZINC001326372971 885006215 /nfs/dbraw/zinc/00/62/15/885006215.db2.gz UDFVEKVDPRESPR-UHFFFAOYSA-N 2 1 256.394 -0.131 20 0 CBADMP C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001326370024 885006570 /nfs/dbraw/zinc/00/65/70/885006570.db2.gz LHYQELOTGIFXAP-QWRGUYRKSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001326370024 885006590 /nfs/dbraw/zinc/00/65/90/885006590.db2.gz LHYQELOTGIFXAP-QWRGUYRKSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC[C@@H]1[NH3+] ZINC001326370401 885007703 /nfs/dbraw/zinc/00/77/03/885007703.db2.gz VHTLMTVTTHMTBR-SCZZXKLOSA-N 2 1 263.345 -0.135 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001446453733 912888355 /nfs/dbraw/zinc/88/83/55/912888355.db2.gz SNJJKGVJNIKQDN-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001446455677 912888922 /nfs/dbraw/zinc/88/89/22/912888922.db2.gz MMKBOWOFMIGPPW-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC[C@H]1[NH3+] ZINC001326501401 885048923 /nfs/dbraw/zinc/04/89/23/885048923.db2.gz DYNOBXYBQZMPKM-JHJVBQTASA-N 3 1 268.405 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CCO)CCC1 ZINC001326913523 885191079 /nfs/dbraw/zinc/19/10/79/885191079.db2.gz OZUCPIMFPYHWIL-UHFFFAOYSA-N 2 1 257.378 -0.051 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC001327060135 885240647 /nfs/dbraw/zinc/24/06/47/885240647.db2.gz SAKBTJOBUQCGPN-CMPLNLGQSA-N 2 1 265.361 -0.204 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC001327087625 885254588 /nfs/dbraw/zinc/25/45/88/885254588.db2.gz PTZPQIUBZBYMIX-NEPJUHHUSA-N 2 1 256.394 -0.264 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001446713924 912922298 /nfs/dbraw/zinc/92/22/98/912922298.db2.gz MFZBDNXGNNIWCZ-UHFFFAOYSA-N 2 1 287.404 -0.425 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001327501401 885379682 /nfs/dbraw/zinc/37/96/82/885379682.db2.gz XKKJBAJSINLAOG-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC[C@H](C)[NH2+]C)C(C)C ZINC001327549691 885402372 /nfs/dbraw/zinc/40/23/72/885402372.db2.gz BUXSWHFKASKVQP-LBPRGKRZSA-N 2 1 286.420 -0.053 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC001327562198 885408321 /nfs/dbraw/zinc/40/83/21/885408321.db2.gz JXFBYLVKPPUMJK-GJZGRUSLSA-N 2 1 282.432 -0.313 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@@H](CNCC23CC(C2)C[NH2+]3)C1 ZINC001327660149 885444878 /nfs/dbraw/zinc/44/48/78/885444878.db2.gz XPGNJRZHPKGKNW-DCBWTQNWSA-N 2 1 266.389 -0.475 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC001327829916 885490195 /nfs/dbraw/zinc/49/01/95/885490195.db2.gz OUUVQCNOHDALLQ-MXWKQRLJSA-N 2 1 268.361 -0.937 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC001328455022 885693675 /nfs/dbraw/zinc/69/36/75/885693675.db2.gz MVRAKQNSECWDJR-KGLIPLIRSA-N 2 1 298.431 -0.506 20 0 CBADMP O=C1N[C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)CC[C@H]2CO1 ZINC001328492131 885705776 /nfs/dbraw/zinc/70/57/76/885705776.db2.gz KYHMTMKMPKAQTG-NWDGAFQWSA-N 2 1 268.361 -0.678 20 0 CBADMP Cn1c[nH+]cc1CCC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC001329018445 885885316 /nfs/dbraw/zinc/88/53/16/885885316.db2.gz OQVVKOZAXATRNU-LBPRGKRZSA-N 2 1 252.318 -0.413 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC001329059000 885906242 /nfs/dbraw/zinc/90/62/42/885906242.db2.gz FXQQYWNAYQZYIF-NSHDSACASA-N 2 1 295.387 -0.249 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001447044157 913005332 /nfs/dbraw/zinc/00/53/32/913005332.db2.gz QORISZFZMYRQET-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001447044157 913005353 /nfs/dbraw/zinc/00/53/53/913005353.db2.gz QORISZFZMYRQET-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001447023305 913002028 /nfs/dbraw/zinc/00/20/28/913002028.db2.gz WNZSHZJCXBGQLL-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(N)=O ZINC001447044157 913005289 /nfs/dbraw/zinc/00/52/89/913005289.db2.gz QORISZFZMYRQET-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(N)=O ZINC001447044162 913004398 /nfs/dbraw/zinc/00/43/98/913004398.db2.gz QORISZFZMYRQET-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(N)=O ZINC001447044162 913004411 /nfs/dbraw/zinc/00/44/11/913004411.db2.gz QORISZFZMYRQET-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001447044162 913004423 /nfs/dbraw/zinc/00/44/23/913004423.db2.gz QORISZFZMYRQET-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001447044162 913004443 /nfs/dbraw/zinc/00/44/43/913004443.db2.gz QORISZFZMYRQET-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(N)=O ZINC001447044157 913005311 /nfs/dbraw/zinc/00/53/11/913005311.db2.gz QORISZFZMYRQET-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CCCO ZINC001329613568 886142936 /nfs/dbraw/zinc/14/29/36/886142936.db2.gz PCDDNHKDGSWCMB-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CCCO ZINC001329613568 886142942 /nfs/dbraw/zinc/14/29/42/886142942.db2.gz PCDDNHKDGSWCMB-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@]2(CO)CCC[NH+](CCCO)C2)C1 ZINC001447039204 913007539 /nfs/dbraw/zinc/00/75/39/913007539.db2.gz KFBIHJMAIIVDQI-DZGCQCFKSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@]2(CO)CCC[N@H+](CCCO)C2)C1 ZINC001447039204 913007561 /nfs/dbraw/zinc/00/75/61/913007561.db2.gz KFBIHJMAIIVDQI-DZGCQCFKSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCCO)C2)C1 ZINC001447039204 913007582 /nfs/dbraw/zinc/00/75/82/913007582.db2.gz KFBIHJMAIIVDQI-DZGCQCFKSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@@H+](C)CCO ZINC001329533840 886113167 /nfs/dbraw/zinc/11/31/67/886113167.db2.gz ZMGYLQWRHCCVJA-LLVKDONJSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CCCO ZINC001329613568 886142929 /nfs/dbraw/zinc/14/29/29/886142929.db2.gz PCDDNHKDGSWCMB-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP COCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001447049802 913013003 /nfs/dbraw/zinc/01/30/03/913013003.db2.gz YQQUNZUICYZRQS-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001447049802 913013022 /nfs/dbraw/zinc/01/30/22/913013022.db2.gz YQQUNZUICYZRQS-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001447049802 913013043 /nfs/dbraw/zinc/01/30/43/913013043.db2.gz YQQUNZUICYZRQS-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(N)=O ZINC001447051975 913013298 /nfs/dbraw/zinc/01/32/98/913013298.db2.gz ZONCHFLSWYEBCE-STQMWFEESA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(N)=O ZINC001447051975 913013317 /nfs/dbraw/zinc/01/33/17/913013317.db2.gz ZONCHFLSWYEBCE-STQMWFEESA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001447051975 913013336 /nfs/dbraw/zinc/01/33/36/913013336.db2.gz ZONCHFLSWYEBCE-STQMWFEESA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001447051975 913013356 /nfs/dbraw/zinc/01/33/56/913013356.db2.gz ZONCHFLSWYEBCE-STQMWFEESA-N 2 1 296.415 -0.123 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCCN2CC[NH+](C)CC2)C1 ZINC001329757635 886198892 /nfs/dbraw/zinc/19/88/92/886198892.db2.gz GFTKFAZXTDVOQQ-CYBMUJFWSA-N 2 1 268.405 -0.308 20 0 CBADMP C[NH+](C/C=C/C[N@H+](C)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC001329862247 886243148 /nfs/dbraw/zinc/24/31/48/886243148.db2.gz HUQGDDLZKDEXNE-ROUHBEFFSA-N 2 1 280.372 -0.817 20 0 CBADMP C[NH+](C/C=C/C[N@H+](C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC001329862247 886243167 /nfs/dbraw/zinc/24/31/67/886243167.db2.gz HUQGDDLZKDEXNE-ROUHBEFFSA-N 2 1 280.372 -0.817 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001330018482 886327070 /nfs/dbraw/zinc/32/70/70/886327070.db2.gz CNHBMSVXRARIKN-AXFHLTTASA-N 2 1 270.377 -0.609 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001330018485 886327449 /nfs/dbraw/zinc/32/74/49/886327449.db2.gz CNHBMSVXRARIKN-HBNTYKKESA-N 2 1 270.377 -0.609 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001330018483 886328750 /nfs/dbraw/zinc/32/87/50/886328750.db2.gz CNHBMSVXRARIKN-DCAQKATOSA-N 2 1 270.377 -0.609 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001330197498 886386417 /nfs/dbraw/zinc/38/64/17/886386417.db2.gz FSIZXPBAGGWRDY-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP C[NH2+][C@@H](C)CCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC001330365620 886427459 /nfs/dbraw/zinc/42/74/59/886427459.db2.gz MWEKOYZNXNDOGB-JTQLQIEISA-N 2 1 263.407 -0.002 20 0 CBADMP COC[C@H]([NH3+])Cc1cn(CCc2c[nH+]cn2C)nn1 ZINC001330789990 886570774 /nfs/dbraw/zinc/57/07/74/886570774.db2.gz CINURABTDLWROQ-SNVBAGLBSA-N 2 1 264.333 -0.230 20 0 CBADMP NC(=O)C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC001330847391 886592893 /nfs/dbraw/zinc/59/28/93/886592893.db2.gz ZSSDALKBPQXZRI-NSHDSACASA-N 2 1 255.362 -0.048 20 0 CBADMP NC(=O)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC001330847391 886592900 /nfs/dbraw/zinc/59/29/00/886592900.db2.gz ZSSDALKBPQXZRI-NSHDSACASA-N 2 1 255.362 -0.048 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001447358092 913062707 /nfs/dbraw/zinc/06/27/07/913062707.db2.gz YLSHMLOTZUDGRQ-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001447358092 913062717 /nfs/dbraw/zinc/06/27/17/913062717.db2.gz YLSHMLOTZUDGRQ-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001447358092 913062734 /nfs/dbraw/zinc/06/27/34/913062734.db2.gz YLSHMLOTZUDGRQ-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCC[NH2+][C@@H](C)C(N)=O ZINC001330978188 886638434 /nfs/dbraw/zinc/63/84/34/886638434.db2.gz XEPWFKCVXQEDBJ-MNOVXSKESA-N 2 1 295.387 -0.060 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC001331041066 886653374 /nfs/dbraw/zinc/65/33/74/886653374.db2.gz PMJLIBLDWHOATQ-STQMWFEESA-N 2 1 296.415 -0.168 20 0 CBADMP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ncnn2C)CC1 ZINC001331053876 886659020 /nfs/dbraw/zinc/65/90/20/886659020.db2.gz TUEDZBCYBPDAHC-GFCCVEGCSA-N 2 1 266.393 -0.069 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)Cn1cc(COCC[NH3+])nn1 ZINC001331244703 886748623 /nfs/dbraw/zinc/74/86/23/886748623.db2.gz UYSZQRONWSDKAV-LLVKDONJSA-N 2 1 257.338 -0.934 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001331320873 886777078 /nfs/dbraw/zinc/77/70/78/886777078.db2.gz ZEBMUMXBJNSDGO-STQMWFEESA-N 2 1 298.431 -0.066 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCCF ZINC001331683872 886906168 /nfs/dbraw/zinc/90/61/68/886906168.db2.gz MEMXTFWEKDYDPU-WDEREUQCSA-N 2 1 261.341 -0.493 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CCC1 ZINC001331687038 886908072 /nfs/dbraw/zinc/90/80/72/886908072.db2.gz YLCVLFIYOHCPRE-STQMWFEESA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC001331771620 886966783 /nfs/dbraw/zinc/96/67/83/886966783.db2.gz SECQRTKXJJEQGX-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]CC(C)C ZINC001331834777 887004089 /nfs/dbraw/zinc/00/40/89/887004089.db2.gz JUOLCLNKIOVSCU-GFCCVEGCSA-N 2 1 268.361 -0.086 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC001331957585 887060373 /nfs/dbraw/zinc/06/03/73/887060373.db2.gz LXTUIEHKBRAHNE-YNEHKIRRSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+](C)CC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001331983415 887074098 /nfs/dbraw/zinc/07/40/98/887074098.db2.gz MLZYKMHVWGWDQA-UHFFFAOYSA-N 2 1 264.333 -0.614 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001447770698 913119092 /nfs/dbraw/zinc/11/90/92/913119092.db2.gz KLLFPQDOPNHGLQ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001447770698 913119099 /nfs/dbraw/zinc/11/90/99/913119099.db2.gz KLLFPQDOPNHGLQ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)C1CC1 ZINC001332267647 887178485 /nfs/dbraw/zinc/17/84/85/887178485.db2.gz PVKNKAZWTBAIRD-OLZOCXBDSA-N 2 1 294.399 -0.450 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001332291827 887186308 /nfs/dbraw/zinc/18/63/08/887186308.db2.gz JVDDVZPCFASNDF-RWMBFGLXSA-N 2 1 267.373 -0.225 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001447776386 913122356 /nfs/dbraw/zinc/12/23/56/913122356.db2.gz PLEPRGCLMGQGOE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001447776386 913122368 /nfs/dbraw/zinc/12/23/68/913122368.db2.gz PLEPRGCLMGQGOE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001447776386 913122379 /nfs/dbraw/zinc/12/23/79/913122379.db2.gz PLEPRGCLMGQGOE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001447776386 913122389 /nfs/dbraw/zinc/12/23/89/913122389.db2.gz PLEPRGCLMGQGOE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP O=S1(=O)CC[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001332333872 887208429 /nfs/dbraw/zinc/20/84/29/887208429.db2.gz FMJVABIGURUMBE-SDDRHHMPSA-N 2 1 258.387 -0.038 20 0 CBADMP O=S1(=O)CC[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001332333872 887208443 /nfs/dbraw/zinc/20/84/43/887208443.db2.gz FMJVABIGURUMBE-SDDRHHMPSA-N 2 1 258.387 -0.038 20 0 CBADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cn(CC(N)=O)nn2)CC1 ZINC001332340407 887215169 /nfs/dbraw/zinc/21/51/69/887215169.db2.gz WWDQRBBRQLEBCW-SECBINFHSA-N 2 1 266.349 -0.677 20 0 CBADMP O=C1[C@@H](N2CC[NH2+]CC[NH2+]CC2)CCN1C1CCOCC1 ZINC001332362971 887229683 /nfs/dbraw/zinc/22/96/83/887229683.db2.gz AIZDBMZMLIVSTQ-AWEZNQCLSA-N 2 1 296.415 -0.739 20 0 CBADMP C[NH2+][C@H](C(=O)NC1CC[NH2+]CC1)c1cnn(C)c1 ZINC001332393889 887257966 /nfs/dbraw/zinc/25/79/66/887257966.db2.gz PKTGIIIECAUSQQ-NSHDSACASA-N 2 1 251.334 -0.451 20 0 CBADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CCNCC2)CC1 ZINC001332414667 887266093 /nfs/dbraw/zinc/26/60/93/887266093.db2.gz AUFRULDNHWTOEU-LLVKDONJSA-N 2 1 254.378 -0.523 20 0 CBADMP CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1CCCCC[C@@H]1N ZINC001332876260 887459130 /nfs/dbraw/zinc/45/91/30/887459130.db2.gz DWQKDNBXXTZBLC-VWYCJHECSA-N 2 1 264.391 -0.359 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333447943 887642266 /nfs/dbraw/zinc/64/22/66/887642266.db2.gz IYQUYTLZOFZDGD-UPJWGTAASA-N 2 1 296.415 -0.360 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001447916457 913169063 /nfs/dbraw/zinc/16/90/63/913169063.db2.gz YCSIFRUMUVRNOV-MNOVXSKESA-N 2 1 297.407 -0.465 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001447916457 913169068 /nfs/dbraw/zinc/16/90/68/913169068.db2.gz YCSIFRUMUVRNOV-MNOVXSKESA-N 2 1 297.407 -0.465 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH2+]C)CC2)C1 ZINC001333564984 887695534 /nfs/dbraw/zinc/69/55/34/887695534.db2.gz CYUOIEDBPCHNDR-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CCN(C(=O)[C@H](C)N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC001333751978 887760048 /nfs/dbraw/zinc/76/00/48/887760048.db2.gz VCSYWZSHCBNRAG-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001334231005 887898035 /nfs/dbraw/zinc/89/80/35/887898035.db2.gz POCMEGZNWZNXIM-JFGNBEQYSA-N 2 1 256.350 -0.911 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)C1 ZINC001334338664 887925389 /nfs/dbraw/zinc/92/53/89/887925389.db2.gz QEVFEMDKDLWSCZ-AJNGGQMLSA-N 3 1 282.432 -0.451 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001448048318 913199688 /nfs/dbraw/zinc/19/96/88/913199688.db2.gz VTVYMDDMDLTXJE-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001448048318 913199693 /nfs/dbraw/zinc/19/96/93/913199693.db2.gz VTVYMDDMDLTXJE-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH+](C)CC(N)=O ZINC001448047493 913201248 /nfs/dbraw/zinc/20/12/48/913201248.db2.gz XIHHKEDLELEGMU-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH+](C)CC(N)=O ZINC001448047493 913201264 /nfs/dbraw/zinc/20/12/64/913201264.db2.gz XIHHKEDLELEGMU-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](CNC(=O)CC[C@@H]1CCC[NH+]1C)[N@H+](C)CC(N)=O ZINC001448047493 913201279 /nfs/dbraw/zinc/20/12/79/913201279.db2.gz XIHHKEDLELEGMU-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](CNC(=O)CC[C@@H]1CCC[NH+]1C)[N@@H+](C)CC(N)=O ZINC001448047493 913201298 /nfs/dbraw/zinc/20/12/98/913201298.db2.gz XIHHKEDLELEGMU-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001448083995 913212709 /nfs/dbraw/zinc/21/27/09/913212709.db2.gz YNHUECGCOHLLHJ-RYUDHWBXSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001448083995 913212723 /nfs/dbraw/zinc/21/27/23/913212723.db2.gz YNHUECGCOHLLHJ-RYUDHWBXSA-N 2 1 298.431 -0.101 20 0 CBADMP OCC[NH+]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC001334762101 888313354 /nfs/dbraw/zinc/31/33/54/888313354.db2.gz FDZKRAUBHIQCLC-KBPBESRZSA-N 2 1 269.389 -0.635 20 0 CBADMP CN1CCN(C(=O)NCC[NH+](C)C2CC2)CC[N@@H+](C)CC1 ZINC001334957275 888370167 /nfs/dbraw/zinc/37/01/67/888370167.db2.gz UMRMFXKGMZVSQU-UHFFFAOYSA-N 2 1 297.447 -0.031 20 0 CBADMP C[N@H+](CCOCC[NH3+])Cc1[nH]nc2c1COCC2 ZINC001335271959 888479105 /nfs/dbraw/zinc/47/91/05/888479105.db2.gz XHMXFRIQXSFXSM-UHFFFAOYSA-N 2 1 254.334 -0.111 20 0 CBADMP C[N@@H+](CCOCC[NH3+])Cc1[nH]nc2c1COCC2 ZINC001335271959 888479115 /nfs/dbraw/zinc/47/91/15/888479115.db2.gz XHMXFRIQXSFXSM-UHFFFAOYSA-N 2 1 254.334 -0.111 20 0 CBADMP CN1CCN(C(=O)c2cnc(C[NH3+])s2)[C@@H](C[NH3+])C1 ZINC001335311211 888495277 /nfs/dbraw/zinc/49/52/77/888495277.db2.gz XNBZMJRBRIWZHG-QMMMGPOBSA-N 2 1 269.374 -0.683 20 0 CBADMP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC001335384901 888519122 /nfs/dbraw/zinc/51/91/22/888519122.db2.gz RZRIXXIIRJBVPO-OAHLLOKOSA-N 3 1 284.448 -0.330 20 0 CBADMP COCCN1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001448200106 913252497 /nfs/dbraw/zinc/25/24/97/913252497.db2.gz FRKMZNZNZRSJAT-GFCCVEGCSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[N@@H+](CCNC(=O)N1CCNCC[NH2+]CC1)C1CC1 ZINC001335444321 888535388 /nfs/dbraw/zinc/53/53/88/888535388.db2.gz LVCPVKWXEVNMDH-UHFFFAOYSA-N 2 1 283.420 -0.325 20 0 CBADMP CC(C)OCC[C@@H](O)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC001335458562 888539087 /nfs/dbraw/zinc/53/90/87/888539087.db2.gz RHJGKLNKMBINFX-CHWSQXEVSA-N 2 1 260.378 -0.181 20 0 CBADMP CC(C)OCC[C@@H](O)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC001335458562 888539104 /nfs/dbraw/zinc/53/91/04/888539104.db2.gz RHJGKLNKMBINFX-CHWSQXEVSA-N 2 1 260.378 -0.181 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)N[C@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC001335574964 888570804 /nfs/dbraw/zinc/57/08/04/888570804.db2.gz CVCHCPPIDWDNFO-MDZLAQPJSA-N 2 1 252.362 -0.059 20 0 CBADMP C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC001335933783 888655124 /nfs/dbraw/zinc/65/51/24/888655124.db2.gz MALNVDJUIOAYDE-FRRDWIJNSA-N 2 1 258.362 -0.570 20 0 CBADMP C[C@H](NC[C@@H](O)C[NH+](C)C1CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001335987611 888666153 /nfs/dbraw/zinc/66/61/53/888666153.db2.gz SMRHBRYMGKEFGL-NWANDNLSSA-N 2 1 284.448 -0.335 20 0 CBADMP C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1C[NH+](C)CCN1C ZINC001335987611 888666128 /nfs/dbraw/zinc/66/61/28/888666128.db2.gz SMRHBRYMGKEFGL-NWANDNLSSA-N 2 1 284.448 -0.335 20 0 CBADMP C[C@H](NC[C@@H](O)C[NH+](C)C1CC1)[C@H]1C[N@H+](C)CCN1C ZINC001335987611 888666140 /nfs/dbraw/zinc/66/61/40/888666140.db2.gz SMRHBRYMGKEFGL-NWANDNLSSA-N 2 1 284.448 -0.335 20 0 CBADMP CN1CCO[C@H](C(=O)NC[C@H]2CCCC[N@H+]2C)C1 ZINC001336224431 888722001 /nfs/dbraw/zinc/72/20/01/888722001.db2.gz PFIXNYRTZHCPKT-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001336224431 888722011 /nfs/dbraw/zinc/72/20/11/888722011.db2.gz PFIXNYRTZHCPKT-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001336224431 888722018 /nfs/dbraw/zinc/72/20/18/888722018.db2.gz PFIXNYRTZHCPKT-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCCC[N@H+]2C)C1 ZINC001336224431 888722032 /nfs/dbraw/zinc/72/20/32/888722032.db2.gz PFIXNYRTZHCPKT-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CS(=O)(=O)c1ccc(CN2CC[NH2+]CC[NH2+]CC2)o1 ZINC001336285856 888734316 /nfs/dbraw/zinc/73/43/16/888734316.db2.gz MSZXRVBMBXNKHU-UHFFFAOYSA-N 2 1 287.385 -0.322 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001448331653 913280463 /nfs/dbraw/zinc/28/04/63/913280463.db2.gz HWEVTWNJWXSSOY-NWDGAFQWSA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001448331653 913280482 /nfs/dbraw/zinc/28/04/82/913280482.db2.gz HWEVTWNJWXSSOY-NWDGAFQWSA-N 2 1 298.431 -0.102 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001336659915 888837549 /nfs/dbraw/zinc/83/75/49/888837549.db2.gz NLNYKICQQFPCKZ-RKDXNWHRSA-N 2 1 251.334 -0.206 20 0 CBADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC001336738786 888863129 /nfs/dbraw/zinc/86/31/29/888863129.db2.gz FIADEWMVSZWNEY-SNVBAGLBSA-N 2 1 256.350 -0.109 20 0 CBADMP CC(=O)N1CCN(CC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001336757024 888872945 /nfs/dbraw/zinc/87/29/45/888872945.db2.gz WLNXXAZWXKDNAN-HNNXBMFYSA-N 2 1 298.431 -0.805 20 0 CBADMP CC(=O)N1CCN(CC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC001336757024 888872973 /nfs/dbraw/zinc/87/29/73/888872973.db2.gz WLNXXAZWXKDNAN-HNNXBMFYSA-N 2 1 298.431 -0.805 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001336965698 888938007 /nfs/dbraw/zinc/93/80/07/888938007.db2.gz PWUFXGYQQDPOKH-VIFPVBQESA-N 2 1 267.333 -0.839 20 0 CBADMP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@@H]1CC[NH2+]C1 ZINC001337094529 888961678 /nfs/dbraw/zinc/96/16/78/888961678.db2.gz KNXOKXJFNWDRAJ-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@@H]1CC[NH2+]C1 ZINC001337094529 888961692 /nfs/dbraw/zinc/96/16/92/888961692.db2.gz KNXOKXJFNWDRAJ-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+](C)C[C@@H]1CCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC001337590537 889047784 /nfs/dbraw/zinc/04/77/84/889047784.db2.gz IUCVVXHGJAVLAO-ZDUSSCGKSA-N 2 1 268.405 -0.356 20 0 CBADMP C(C[N@H+]1CC[NH2+]CCC12CCOCC2)N1CC[NH2+]CC1 ZINC001337825036 889084182 /nfs/dbraw/zinc/08/41/82/889084182.db2.gz UCVUWOCZUOKOAR-UHFFFAOYSA-N 3 1 282.432 -0.264 20 0 CBADMP C(CN1CC[NH2+]CCC12CCOCC2)N1CC[NH2+]CC1 ZINC001337825036 889084199 /nfs/dbraw/zinc/08/41/99/889084199.db2.gz UCVUWOCZUOKOAR-UHFFFAOYSA-N 2 1 282.432 -0.264 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001448508843 913313741 /nfs/dbraw/zinc/31/37/41/913313741.db2.gz FSLIKDAAAFYLGC-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC001338352687 889146691 /nfs/dbraw/zinc/14/66/91/889146691.db2.gz QKGWNABKZIDTDE-GHMZBOCLSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCn1ncnn1 ZINC001338491761 889168559 /nfs/dbraw/zinc/16/85/59/889168559.db2.gz NJOLBYNYDADLRE-CQSZACIVSA-N 2 1 290.371 -0.244 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCn1ncnn1 ZINC001338491761 889168566 /nfs/dbraw/zinc/16/85/66/889168566.db2.gz NJOLBYNYDADLRE-CQSZACIVSA-N 2 1 290.371 -0.244 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001448602783 913326336 /nfs/dbraw/zinc/32/63/36/913326336.db2.gz MURZYCHZQBIYRK-LBPRGKRZSA-N 2 1 284.404 -0.362 20 0 CBADMP CC1(C)CN(c2nccnc2C[NH3+])CC[N@H+]1CCO ZINC001339675580 889306443 /nfs/dbraw/zinc/30/64/43/889306443.db2.gz LBQTUFWFVYFHIR-UHFFFAOYSA-N 2 1 265.361 -0.172 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001339716101 889315279 /nfs/dbraw/zinc/31/52/79/889315279.db2.gz RZLZVMUULCMPSR-AGIUHOORSA-N 2 1 266.389 -0.557 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001448643351 913337045 /nfs/dbraw/zinc/33/70/45/913337045.db2.gz CQOMXVRPUDBVAK-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001340127722 889389270 /nfs/dbraw/zinc/38/92/70/889389270.db2.gz HDPZCQZDWIUIEU-DTWKUNHWSA-N 2 1 251.334 -0.158 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001340174051 889402575 /nfs/dbraw/zinc/40/25/75/889402575.db2.gz YAEXIZKUBGVNHW-BZPMIXESSA-N 2 1 267.373 -0.320 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340248232 889413782 /nfs/dbraw/zinc/41/37/82/889413782.db2.gz HRRSPHNBUUQXNQ-DZGCQCFKSA-N 2 1 298.431 -0.757 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001340239805 889414905 /nfs/dbraw/zinc/41/49/05/889414905.db2.gz CCCSRBVJXLRFPO-OBJOEFQTSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001340281897 889417413 /nfs/dbraw/zinc/41/74/13/889417413.db2.gz MXKSQVGRLPRFQK-YVECIDJPSA-N 2 1 266.389 -0.239 20 0 CBADMP [NH3+]C1CCN(CCNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC001340941900 889518644 /nfs/dbraw/zinc/51/86/44/889518644.db2.gz DJKCVQWKXKEXSB-SNVBAGLBSA-N 2 1 258.391 -0.812 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340790474 889487088 /nfs/dbraw/zinc/48/70/88/889487088.db2.gz LBJJVKYRKIAVIG-GXTWGEPZSA-N 2 1 269.389 -0.101 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340820314 889489858 /nfs/dbraw/zinc/48/98/58/889489858.db2.gz CTVAWQOCHMGHMV-OUCADQQQSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001448687826 913351437 /nfs/dbraw/zinc/35/14/37/913351437.db2.gz WBZDPBPKKMCHAP-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001340825272 889493304 /nfs/dbraw/zinc/49/33/04/889493304.db2.gz WXTMDARGRYQKIG-DGCLKSJQSA-N 2 1 255.362 -0.299 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001340854265 889499033 /nfs/dbraw/zinc/49/90/33/889499033.db2.gz PYUNLROBVJKQBL-RNJOBUHISA-N 2 1 267.373 -0.321 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001340882140 889504032 /nfs/dbraw/zinc/50/40/32/889504032.db2.gz VXMDRQPFLGDKOP-NWDGAFQWSA-N 2 1 254.378 -0.652 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C2(C[NH3+])CC(O)C2)CC[N@H+]1C ZINC001340914750 889513308 /nfs/dbraw/zinc/51/33/08/889513308.db2.gz BHOBQBPWVRFIGI-MBHSVXNSSA-N 2 1 269.389 -0.115 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2C[NH2+]1 ZINC001340935951 889515255 /nfs/dbraw/zinc/51/52/55/889515255.db2.gz LKFFMZYKBVCVLC-BXSSEVMYSA-N 2 1 261.329 -0.678 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC(C)(C)CC[NH3+] ZINC001341129808 889547504 /nfs/dbraw/zinc/54/75/04/889547504.db2.gz LXQMXSLFGWHKDT-WDEREUQCSA-N 2 1 254.378 -0.382 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001341291268 889571491 /nfs/dbraw/zinc/57/14/91/889571491.db2.gz LTYUTQQHUXVCIB-VXGBXAGGSA-N 2 1 267.373 -0.035 20 0 CBADMP C[NH2+]CCOCCNC(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC001341457553 889601013 /nfs/dbraw/zinc/60/10/13/889601013.db2.gz KLXJVMAXHZJGLW-NSHDSACASA-N 2 1 269.349 -0.967 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[C@H](O)C[NH2+]C ZINC001341514446 889611413 /nfs/dbraw/zinc/61/14/13/889611413.db2.gz GYICEEYUSRDESZ-QJPTWQEYSA-N 2 1 257.378 -0.197 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001341530353 889616816 /nfs/dbraw/zinc/61/68/16/889616816.db2.gz UNRSFHSZWNAZGM-TXEJJXNPSA-N 2 1 255.362 -0.456 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001341571259 889623513 /nfs/dbraw/zinc/62/35/13/889623513.db2.gz OAOSOHCJFMUQFF-GXTWGEPZSA-N 2 1 269.389 -0.051 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)N1CC[NH+](C)CC1 ZINC001341648641 889639622 /nfs/dbraw/zinc/63/96/22/889639622.db2.gz WJWKJBWBCHVRLA-UPJWGTAASA-N 2 1 268.405 -0.406 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC[NH2+]1 ZINC001341660034 889642561 /nfs/dbraw/zinc/64/25/61/889642561.db2.gz QHHKSEXBKXLOEP-LPWJVIDDSA-N 2 1 266.389 -0.369 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001341660087 889643319 /nfs/dbraw/zinc/64/33/19/889643319.db2.gz RUKUDFBSAYEBQC-JHJVBQTASA-N 2 1 266.389 -0.367 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1(C)CC[NH2+]CC1 ZINC001341769063 889660338 /nfs/dbraw/zinc/66/03/38/889660338.db2.gz YRUDMRDCGASPNM-NWDGAFQWSA-N 2 1 266.389 -0.367 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)NCCCCC[NH+]1CCNCC1 ZINC001341823499 889668508 /nfs/dbraw/zinc/66/85/08/889668508.db2.gz OQONNUVVSQTCIR-CQSZACIVSA-N 2 1 298.431 -0.443 20 0 CBADMP CC1(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C[NH2+]C1 ZINC001341924385 889684354 /nfs/dbraw/zinc/68/43/54/889684354.db2.gz RYMJLPJEYBKWQT-RYUDHWBXSA-N 2 1 267.373 -0.347 20 0 CBADMP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001341924222 889684509 /nfs/dbraw/zinc/68/45/09/889684509.db2.gz RQEPUYAMZYUMHA-ZDEQEGDKSA-N 2 1 267.373 -0.361 20 0 CBADMP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001341924220 889684594 /nfs/dbraw/zinc/68/45/94/889684594.db2.gz RQEPUYAMZYUMHA-RVMXOQNASA-N 2 1 267.373 -0.361 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001342066575 889705199 /nfs/dbraw/zinc/70/51/99/889705199.db2.gz ROEDQRKVIMNSSL-HAQNSBGRSA-N 2 1 254.378 -0.380 20 0 CBADMP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001342176728 889726882 /nfs/dbraw/zinc/72/68/82/889726882.db2.gz URAZDRADWKENAI-NNYUYHANSA-N 2 1 253.346 -0.548 20 0 CBADMP CN(C(=O)CNCC[NH3+])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001342238270 889735183 /nfs/dbraw/zinc/73/51/83/889735183.db2.gz YEMNQMVHNXNDOD-AWEZNQCLSA-N 2 1 297.447 -0.838 20 0 CBADMP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001342251620 889739428 /nfs/dbraw/zinc/73/94/28/889739428.db2.gz SGWRVCQNYKJODN-XQQFMLRXSA-N 2 1 268.405 -0.136 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]C)CC[N@H+]1C ZINC001342267080 889744743 /nfs/dbraw/zinc/74/47/43/889744743.db2.gz OAJPHINRPDMTKY-SDDRHHMPSA-N 2 1 257.378 -0.245 20 0 CBADMP C[NH2+]CCOCCNC(=O)c1cnc(C[NH3+])s1 ZINC001342301568 889750265 /nfs/dbraw/zinc/75/02/65/889750265.db2.gz KHQAJLKTMATVOD-UHFFFAOYSA-N 2 1 258.347 -0.432 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001342350079 889758405 /nfs/dbraw/zinc/75/84/05/889758405.db2.gz RDRLGEMOVAZGLT-FMSGJZPZSA-N 2 1 267.373 -0.206 20 0 CBADMP O=C(NCCCCC[NH+]1CCNCC1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001342596896 889798856 /nfs/dbraw/zinc/79/88/56/889798856.db2.gz GJFCXVSIKOYGAQ-MELADBBJSA-N 2 1 280.416 -0.214 20 0 CBADMP C[C@@H]1CN(C(=O)c2cc3n(n2)C[C@@H](C)[NH2+]C3)C[C@H]1[NH3+] ZINC001342648375 889809851 /nfs/dbraw/zinc/80/98/51/889809851.db2.gz FTTPVSLHUUXPKQ-FXPVBKGRSA-N 2 1 263.345 -0.206 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)C[C@H]1[NH3+] ZINC001342649004 889811025 /nfs/dbraw/zinc/81/10/25/889811025.db2.gz LPEZQMSBRSSNTB-WRWGMCAJSA-N 2 1 252.362 -0.820 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001342696031 889819138 /nfs/dbraw/zinc/81/91/38/889819138.db2.gz LFZABOOUMGOPJR-XQQFMLRXSA-N 2 1 269.389 -0.101 20 0 CBADMP 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 889832041 /nfs/dbraw/zinc/83/20/41/889832041.db2.gz USNRWVSBTDQOGB-CLPYTZEMSA-N 2 1 269.389 -0.341 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001343394433 889898555 /nfs/dbraw/zinc/89/85/55/889898555.db2.gz ZCYLOKUYEGLBCS-WCQYABFASA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)[N@@H+](C)C1CC1 ZINC001343419221 889902934 /nfs/dbraw/zinc/90/29/34/889902934.db2.gz CJYBCJZWFHCOCE-XWIASGKRSA-N 2 1 255.362 -0.302 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001343409176 889903444 /nfs/dbraw/zinc/90/34/44/889903444.db2.gz MIGQKPPVFIUWCS-UHFFFAOYSA-N 2 1 252.318 -0.592 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1(C[NH3+])CC(O)C1 ZINC001343444822 889908656 /nfs/dbraw/zinc/90/86/56/889908656.db2.gz MPIAQUSYSQWZNV-DALYFSDCSA-N 2 1 267.373 -0.315 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1(C[NH3+])CC(O)C1 ZINC001343444823 889909256 /nfs/dbraw/zinc/90/92/56/889909256.db2.gz MPIAQUSYSQWZNV-IXOPQVEJSA-N 2 1 267.373 -0.315 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC001343440040 889910611 /nfs/dbraw/zinc/91/06/11/889910611.db2.gz VECHPBTVFHQNQD-TUAOUCFPSA-N 2 1 257.378 -0.339 20 0 CBADMP COCC[NH2+]CCNC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001343459373 889912076 /nfs/dbraw/zinc/91/20/76/889912076.db2.gz PNUIZDFHIGFQNW-JTQLQIEISA-N 2 1 281.360 -0.659 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CCC2(CC1)NC(=O)NC2=O)C1CC1 ZINC001343484517 889918778 /nfs/dbraw/zinc/91/87/78/889918778.db2.gz UXQWKNUBAQRVED-NSHDSACASA-N 2 1 296.371 -0.885 20 0 CBADMP CN(C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O)C1CC1 ZINC001343484517 889918786 /nfs/dbraw/zinc/91/87/86/889918786.db2.gz UXQWKNUBAQRVED-NSHDSACASA-N 2 1 296.371 -0.885 20 0 CBADMP C[N@H+]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@H](CO)C1 ZINC001343490105 889921581 /nfs/dbraw/zinc/92/15/81/889921581.db2.gz LYOYSIPDFYWZBN-WWKJKZQJSA-N 2 1 267.373 -0.323 20 0 CBADMP C[N@@H+]1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)[C@@H](CO)C1 ZINC001343490050 889921097 /nfs/dbraw/zinc/92/10/97/889921097.db2.gz LYOYSIPDFYWZBN-OEFFGFFESA-N 2 1 267.373 -0.323 20 0 CBADMP C[N@H+]1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)[C@@H](CO)C1 ZINC001343490050 889921105 /nfs/dbraw/zinc/92/11/05/889921105.db2.gz LYOYSIPDFYWZBN-OEFFGFFESA-N 2 1 267.373 -0.323 20 0 CBADMP C[N@@H+]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@H](CO)C1 ZINC001343490105 889921573 /nfs/dbraw/zinc/92/15/73/889921573.db2.gz LYOYSIPDFYWZBN-WWKJKZQJSA-N 2 1 267.373 -0.323 20 0 CBADMP C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)[C@H]1C[N@@H+](C)CCN1C ZINC001343492026 889922477 /nfs/dbraw/zinc/92/24/77/889922477.db2.gz UTSIWRXHKLHHCB-RWMBFGLXSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)[C@H]1CN(C)CC[N@@H+]1C ZINC001343492026 889922499 /nfs/dbraw/zinc/92/24/99/889922499.db2.gz UTSIWRXHKLHHCB-RWMBFGLXSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)[C@H]1CN(C)CC[N@H+]1C ZINC001343492026 889922507 /nfs/dbraw/zinc/92/25/07/889922507.db2.gz UTSIWRXHKLHHCB-RWMBFGLXSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@@H]1C[N@@H+](C)CCN1C ZINC001343581788 889935094 /nfs/dbraw/zinc/93/50/94/889935094.db2.gz FMADLHMMOUVWQS-KKOKHZNYSA-N 2 1 254.378 -0.668 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001344081542 889999452 /nfs/dbraw/zinc/99/94/52/889999452.db2.gz MJDIWRFDAFYPJC-RKDXNWHRSA-N 2 1 251.334 -0.288 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001344128722 890006551 /nfs/dbraw/zinc/00/65/51/890006551.db2.gz UPUPYEZRUQSHNM-YPMHNXCESA-N 2 1 255.362 -0.299 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@@H](O)C[NH2+]3)CC[C@H]21 ZINC001344460016 890027905 /nfs/dbraw/zinc/02/79/05/890027905.db2.gz BVKITMCTXIXWDR-BYNQJWBRSA-N 2 1 267.373 -0.348 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001344747983 890057808 /nfs/dbraw/zinc/05/78/08/890057808.db2.gz PQWFKWZMRPBKSZ-GRYCIOLGSA-N 2 1 266.389 -0.430 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001344849054 890074794 /nfs/dbraw/zinc/07/47/94/890074794.db2.gz YLPXJTNSGLVOHA-TVQRCGJNSA-N 2 1 263.345 -0.422 20 0 CBADMP C[C@H]1[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC[N@H+]1C ZINC001344876741 890077569 /nfs/dbraw/zinc/07/75/69/890077569.db2.gz JMYHKLDHDBHZRJ-WCBMZHEXSA-N 2 1 263.345 -0.122 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCCCC[NH+]1CCNCC1 ZINC001344921294 890079845 /nfs/dbraw/zinc/07/98/45/890079845.db2.gz XJDZBBDIYVNTQQ-OLZOCXBDSA-N 2 1 284.404 -0.706 20 0 CBADMP CC(C)(O)[C@H]([NH3+])C(=O)NCCCCC[NH+]1CCNCC1 ZINC001344921351 890081123 /nfs/dbraw/zinc/08/11/23/890081123.db2.gz YSZPAKSJYAJRSG-GFCCVEGCSA-N 2 1 286.420 -0.724 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001345821692 890170007 /nfs/dbraw/zinc/17/00/07/890170007.db2.gz FILFEXRNWUZNKW-NXEZZACHSA-N 2 1 254.334 -0.310 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001346173083 890228649 /nfs/dbraw/zinc/22/86/49/890228649.db2.gz KBGFAHUHGCAOKA-ZIAGYGMSSA-N 2 1 298.431 -0.541 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001346173083 890228665 /nfs/dbraw/zinc/22/86/65/890228665.db2.gz KBGFAHUHGCAOKA-ZIAGYGMSSA-N 2 1 298.431 -0.541 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001346173083 890228677 /nfs/dbraw/zinc/22/86/77/890228677.db2.gz KBGFAHUHGCAOKA-ZIAGYGMSSA-N 2 1 298.431 -0.541 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H](N)CC[NH+](C)C ZINC001346332435 890271793 /nfs/dbraw/zinc/27/17/93/890271793.db2.gz IDNTUNMVPBSLPF-CQSZACIVSA-N 2 1 299.463 -0.639 20 0 CBADMP COCC[NH2+]CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001346385969 890279577 /nfs/dbraw/zinc/27/95/77/890279577.db2.gz YEYHGCWDABFWDR-GRYCIOLGSA-N 2 1 255.362 -0.321 20 0 CBADMP [NH3+]C/C=C/CNC(=O)NCCCCC[NH+]1CCNCC1 ZINC001346488725 890304411 /nfs/dbraw/zinc/30/44/11/890304411.db2.gz DCYRRKVHHWLASN-DUXPYHPUSA-N 2 1 283.420 -0.124 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C)[NH+](C)C ZINC001347047611 890395909 /nfs/dbraw/zinc/39/59/09/890395909.db2.gz MAYYMZAMIKOEOW-SRVKXCTJSA-N 2 1 254.378 -0.559 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H]1CNC(=O)C1 ZINC001347103921 890408311 /nfs/dbraw/zinc/40/83/11/890408311.db2.gz HRZPPDAYPSDNHA-CYBMUJFWSA-N 2 1 268.405 -0.308 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001348607049 890661687 /nfs/dbraw/zinc/66/16/87/890661687.db2.gz ZDDAVBURISDRJU-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001448980980 913476754 /nfs/dbraw/zinc/47/67/54/913476754.db2.gz OIILRSMXTALDLY-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC[N@@H+]1C ZINC001348715161 890687120 /nfs/dbraw/zinc/68/71/20/890687120.db2.gz UTSUNFDVUKEDGI-VXGBXAGGSA-N 2 1 284.404 -0.409 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CC[NH+](C)C ZINC001449008923 913482153 /nfs/dbraw/zinc/48/21/53/913482153.db2.gz DGSIWEJQVSVPRK-VXGBXAGGSA-N 2 1 294.403 -0.154 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001348964539 890737573 /nfs/dbraw/zinc/73/75/73/890737573.db2.gz AOBCBMONRMYMTN-ZDUSSCGKSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CC[NH+](C)C ZINC001449008916 913482962 /nfs/dbraw/zinc/48/29/62/913482962.db2.gz DGSIWEJQVSVPRK-RYUDHWBXSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001349022614 890747885 /nfs/dbraw/zinc/74/78/85/890747885.db2.gz FHNMMFNXVZGQBU-LBPRGKRZSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH+](C)CCCC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001349025792 890750797 /nfs/dbraw/zinc/75/07/97/890750797.db2.gz UZZJNTNTMOCVFJ-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC(N)=O)[C@@H]1C ZINC001449043573 913488477 /nfs/dbraw/zinc/48/84/77/913488477.db2.gz GTBJPSQYUXHIGI-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC(N)=O)[C@@H]1C ZINC001449043573 913488487 /nfs/dbraw/zinc/48/84/87/913488487.db2.gz GTBJPSQYUXHIGI-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC001449043573 913488495 /nfs/dbraw/zinc/48/84/95/913488495.db2.gz GTBJPSQYUXHIGI-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC001449043573 913488506 /nfs/dbraw/zinc/48/85/06/913488506.db2.gz GTBJPSQYUXHIGI-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001350029388 890923814 /nfs/dbraw/zinc/92/38/14/890923814.db2.gz RNXMQMIDIJTTJQ-UTUOFQBUSA-N 2 1 294.399 -0.560 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC001350031942 890926286 /nfs/dbraw/zinc/92/62/86/890926286.db2.gz NCPDIJVKFYLCGD-FDYHWXHSSA-N 2 1 294.399 -0.417 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001449100728 913507362 /nfs/dbraw/zinc/50/73/62/913507362.db2.gz ZDKSLZQQICRIRG-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001449100728 913507374 /nfs/dbraw/zinc/50/73/74/913507374.db2.gz ZDKSLZQQICRIRG-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001449100728 913507387 /nfs/dbraw/zinc/50/73/87/913507387.db2.gz ZDKSLZQQICRIRG-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[NH2+]CCN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)C(C)C ZINC001350646808 891019329 /nfs/dbraw/zinc/01/93/29/891019329.db2.gz MRKBFFNTWRDJPA-QWHCGFSZSA-N 2 1 296.415 -0.395 20 0 CBADMP CN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CC[NH+](C)C ZINC001351509365 891145560 /nfs/dbraw/zinc/14/55/60/891145560.db2.gz GOVOCTVZNLGYKA-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001351580735 891158389 /nfs/dbraw/zinc/15/83/89/891158389.db2.gz XAXDPSAGGXRVNZ-RWMBFGLXSA-N 2 1 294.399 -0.450 20 0 CBADMP CC(C)([NH3+])C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC001352789130 891295020 /nfs/dbraw/zinc/29/50/20/891295020.db2.gz ILBICKUZZBMYTN-JTQLQIEISA-N 2 1 255.362 -0.313 20 0 CBADMP CC(C)([NH3+])C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001352789131 891297017 /nfs/dbraw/zinc/29/70/17/891297017.db2.gz ILBICKUZZBMYTN-SNVBAGLBSA-N 2 1 255.362 -0.313 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC001352850806 891307617 /nfs/dbraw/zinc/30/76/17/891307617.db2.gz YDLKHMSCGHIIBB-RKDXNWHRSA-N 2 1 251.334 -0.094 20 0 CBADMP C[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001353035365 891347558 /nfs/dbraw/zinc/34/75/58/891347558.db2.gz PZOVBRGDEOTEPE-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH2+]C1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001353035365 891347577 /nfs/dbraw/zinc/34/75/77/891347577.db2.gz PZOVBRGDEOTEPE-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC001353300266 891397451 /nfs/dbraw/zinc/39/74/51/891397451.db2.gz LUFJISQPTLLTKK-OAHLLOKOSA-N 3 1 282.432 -0.554 20 0 CBADMP CN1CCN(C[C@H](O)C[NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC001353300266 891397466 /nfs/dbraw/zinc/39/74/66/891397466.db2.gz LUFJISQPTLLTKK-OAHLLOKOSA-N 2 1 282.432 -0.554 20 0 CBADMP CN1CCN(C[C@H](O)C[NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC001353300266 891397487 /nfs/dbraw/zinc/39/74/87/891397487.db2.gz LUFJISQPTLLTKK-OAHLLOKOSA-N 2 1 282.432 -0.554 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[C@@H](O)C[NH2+]C)C1 ZINC001353496716 891436445 /nfs/dbraw/zinc/43/64/45/891436445.db2.gz UBFDMMATGMINSI-TUAOUCFPSA-N 2 1 257.378 -0.339 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[C@@H]1C[NH3+])C[NH+]1CCOCC1 ZINC001353517604 891440871 /nfs/dbraw/zinc/44/08/71/891440871.db2.gz IEMWOIDBRIYMIY-IJLUTSLNSA-N 2 1 255.362 -0.334 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001353568952 891447453 /nfs/dbraw/zinc/44/74/53/891447453.db2.gz AFIDSIDGJAENGB-DCBWTQNWSA-N 2 1 269.389 -0.114 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C2(C[NH3+])CC(O)C2)C[N@H+]1C1CC1 ZINC001353580622 891449355 /nfs/dbraw/zinc/44/93/55/891449355.db2.gz AFUGHWICYIWTAO-DGWNVUOJSA-N 2 1 267.373 -0.172 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C2(C[NH3+])CC(O)C2)C[N@H+]1C1CC1 ZINC001353580623 891450755 /nfs/dbraw/zinc/45/07/55/891450755.db2.gz AFUGHWICYIWTAO-LLTHYPCUSA-N 2 1 267.373 -0.172 20 0 CBADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001353653880 891456904 /nfs/dbraw/zinc/45/69/04/891456904.db2.gz FWPJVASSXXCEOC-IWSPIJDZSA-N 2 1 251.334 -0.160 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[NH2+]CCN1C ZINC001353727705 891466798 /nfs/dbraw/zinc/46/67/98/891466798.db2.gz LKPCOPCQQKNNRI-FRRDWIJNSA-N 2 1 268.405 -0.311 20 0 CBADMP CC1(C)[C@H](NC(=O)C[NH+]2CCC(CO)CC2)C[C@@H]1[NH3+] ZINC001353928011 891488483 /nfs/dbraw/zinc/48/84/83/891488483.db2.gz FPKTURLVJCRBDT-NWDGAFQWSA-N 2 1 269.389 -0.067 20 0 CBADMP O[C@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001353942249 891490656 /nfs/dbraw/zinc/49/06/56/891490656.db2.gz ASMIXXDOWBPNES-JQWIXIFHSA-N 2 1 251.334 -0.231 20 0 CBADMP O[C@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001353942249 891490670 /nfs/dbraw/zinc/49/06/70/891490670.db2.gz ASMIXXDOWBPNES-JQWIXIFHSA-N 2 1 251.334 -0.231 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCn2cncc2C1 ZINC001354018579 891498077 /nfs/dbraw/zinc/49/80/77/891498077.db2.gz HPZFKWXRKCVFGM-YPMHNXCESA-N 2 1 264.329 -0.320 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC[NH2+]C1CC1 ZINC001354131683 891519657 /nfs/dbraw/zinc/51/96/57/891519657.db2.gz MMGBQYFZFICIJR-YPMHNXCESA-N 2 1 266.389 -0.367 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001354451002 891580048 /nfs/dbraw/zinc/58/00/48/891580048.db2.gz UPUPYEZRUQSHNM-WCQYABFASA-N 2 1 255.362 -0.299 20 0 CBADMP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001354524326 891590312 /nfs/dbraw/zinc/59/03/12/891590312.db2.gz VMEZXYCAXIGHTI-RWMBFGLXSA-N 2 1 266.389 -0.557 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001354733411 891612084 /nfs/dbraw/zinc/61/20/84/891612084.db2.gz CSHUNMUKDMIHMQ-RTXFEEFZSA-N 3 1 266.389 -0.239 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001354733411 891612088 /nfs/dbraw/zinc/61/20/88/891612088.db2.gz CSHUNMUKDMIHMQ-RTXFEEFZSA-N 2 1 266.389 -0.239 20 0 CBADMP C[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001354733412 891613151 /nfs/dbraw/zinc/61/31/51/891613151.db2.gz CSHUNMUKDMIHMQ-WCFLWFBJSA-N 3 1 266.389 -0.239 20 0 CBADMP C[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001354733412 891613157 /nfs/dbraw/zinc/61/31/57/891613157.db2.gz CSHUNMUKDMIHMQ-WCFLWFBJSA-N 2 1 266.389 -0.239 20 0 CBADMP COCC[NH2+]CC(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001354893291 891628560 /nfs/dbraw/zinc/62/85/60/891628560.db2.gz KOWWCSCQFONDRB-AWEZNQCLSA-N 2 1 293.371 -0.781 20 0 CBADMP O=C(NCCCCC[NH+]1CCNCC1)[C@]1(F)CC[NH2+]C1 ZINC001354977099 891634636 /nfs/dbraw/zinc/63/46/36/891634636.db2.gz ANFSDSGVLNTRLV-AWEZNQCLSA-N 2 1 286.395 -0.120 20 0 CBADMP [NH3+]CCOCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001356226744 891741189 /nfs/dbraw/zinc/74/11/89/891741189.db2.gz BXYAXSJLRVZGOM-NEPJUHHUSA-N 2 1 271.361 -0.981 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001356438512 891758970 /nfs/dbraw/zinc/75/89/70/891758970.db2.gz PPDPVMREUWOLFL-ZDEQEGDKSA-N 2 1 294.399 -0.417 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001357429226 891888566 /nfs/dbraw/zinc/88/85/66/891888566.db2.gz YBSCJYALATWFNV-XSRFYTQQSA-N 2 1 255.362 -0.456 20 0 CBADMP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001357967068 891950957 /nfs/dbraw/zinc/95/09/57/891950957.db2.gz PEEUKPVHSNNLFC-RYUDHWBXSA-N 2 1 257.378 -0.102 20 0 CBADMP C[N@@H+](CC(=O)N1CC[NH2+]C[C@@H]1CO)CC(C)(C)C ZINC001358028507 891961161 /nfs/dbraw/zinc/96/11/61/891961161.db2.gz NXLJSTSVTAKAJM-LLVKDONJSA-N 2 1 257.378 -0.243 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC001358118238 891971826 /nfs/dbraw/zinc/97/18/26/891971826.db2.gz AZJQUKNRKKASLB-GFCCVEGCSA-N 3 1 254.378 -0.332 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001358249014 891987066 /nfs/dbraw/zinc/98/70/66/891987066.db2.gz BLCHUNHJSSEGOA-UPJWGTAASA-N 2 1 266.389 -0.428 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)C1 ZINC001449926665 913627881 /nfs/dbraw/zinc/62/78/81/913627881.db2.gz RKQXGJIWKVYYNX-OCCSQVGLSA-N 2 1 280.416 -0.358 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)C1 ZINC001449926665 913627894 /nfs/dbraw/zinc/62/78/94/913627894.db2.gz RKQXGJIWKVYYNX-OCCSQVGLSA-N 2 1 280.416 -0.358 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)C1 ZINC001449926665 913627911 /nfs/dbraw/zinc/62/79/11/913627911.db2.gz RKQXGJIWKVYYNX-OCCSQVGLSA-N 2 1 280.416 -0.358 20 0 CBADMP C[C@H](CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001361832218 892268145 /nfs/dbraw/zinc/26/81/45/892268145.db2.gz HGSFJNWDIIZMIM-OLZOCXBDSA-N 2 1 270.421 -0.064 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362317322 892590907 /nfs/dbraw/zinc/59/09/07/892590907.db2.gz CTTHNEQLUHCEJI-DGCLKSJQSA-N 2 1 273.352 -0.397 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)CC[N@@H+]2CC[C@@H](F)C2)C1 ZINC001362317322 892590915 /nfs/dbraw/zinc/59/09/15/892590915.db2.gz CTTHNEQLUHCEJI-DGCLKSJQSA-N 2 1 273.352 -0.397 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)CC[N@H+]2CC[C@@H](F)C2)C1 ZINC001362317322 892590925 /nfs/dbraw/zinc/59/09/25/892590925.db2.gz CTTHNEQLUHCEJI-DGCLKSJQSA-N 2 1 273.352 -0.397 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)C[C@@H]21 ZINC001362465752 892701407 /nfs/dbraw/zinc/70/14/07/892701407.db2.gz VRNRDJDVNNXPJU-XBFCOCLRSA-N 2 1 279.384 -0.130 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CN(C(=O)CC[NH+](C)CC)C1 ZINC001450443247 913695740 /nfs/dbraw/zinc/69/57/40/913695740.db2.gz UFMFNKGATJAIKV-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NC1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001450443247 913695750 /nfs/dbraw/zinc/69/57/50/913695750.db2.gz UFMFNKGATJAIKV-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NC1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001450443247 913695761 /nfs/dbraw/zinc/69/57/61/913695761.db2.gz UFMFNKGATJAIKV-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](C(=O)N1CC([NH2+][C@@H]2CCOC2)C1)N1CC[NH+](C)CC1 ZINC001362991185 893236801 /nfs/dbraw/zinc/23/68/01/893236801.db2.gz LPWOXCBJLASTLZ-CHWSQXEVSA-N 2 1 296.415 -0.788 20 0 CBADMP C[N@@H+](CC(=O)N1CCC2(C[NH+](C)C2)C1)[C@@H]1CCC[C@H]1O ZINC001363108174 893361686 /nfs/dbraw/zinc/36/16/86/893361686.db2.gz HEWXTRVIEKWDRT-CHWSQXEVSA-N 2 1 281.400 -0.004 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC001363274894 893522015 /nfs/dbraw/zinc/52/20/15/893522015.db2.gz SGXRQZKTAGXRHV-HIFRSBDPSA-N 2 1 299.415 -0.426 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC001363274894 893522032 /nfs/dbraw/zinc/52/20/32/893522032.db2.gz SGXRQZKTAGXRHV-HIFRSBDPSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@@H+](CC(=O)N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[C@H]1O ZINC001363375263 893622999 /nfs/dbraw/zinc/62/29/99/893622999.db2.gz ZEDJGBDIRRNLBK-BFHYXJOUSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+](C)C1(C(=O)NCC(=O)N2CC[NH+](C)CC2)CCCC1 ZINC001363978702 894125626 /nfs/dbraw/zinc/12/56/26/894125626.db2.gz RSFWGLNLIWVGBX-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC001364418088 894404065 /nfs/dbraw/zinc/40/40/65/894404065.db2.gz OOEVLTFWROZEQD-HUUCEWRRSA-N 2 1 285.432 -0.313 20 0 CBADMP Cc1[nH+]ccn1CCC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364452510 894433364 /nfs/dbraw/zinc/43/33/64/894433364.db2.gz QGUVDKNEUIVKPV-GHMZBOCLSA-N 2 1 279.344 -0.900 20 0 CBADMP C[C@@H](CC[NH+](C)C)C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001364457823 894437329 /nfs/dbraw/zinc/43/73/29/894437329.db2.gz CQVRUEXQSVSWLO-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP C[NH+](C)CC1(O)CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001364482439 894449418 /nfs/dbraw/zinc/44/94/18/894449418.db2.gz YHTBWVGGYNHFHZ-GFCCVEGCSA-N 2 1 290.429 -0.190 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)N1CCN(C)CC1 ZINC001364767029 894607097 /nfs/dbraw/zinc/60/70/97/894607097.db2.gz LOHBGQOXCNJVCY-GFCCVEGCSA-N 2 1 292.449 -0.202 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001364944124 894692623 /nfs/dbraw/zinc/69/26/23/894692623.db2.gz DDVSECIBCUUDFJ-OCCSQVGLSA-N 2 1 281.400 -0.147 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001365305730 894884799 /nfs/dbraw/zinc/88/47/99/894884799.db2.gz NTOIYOIXHBSBRS-OCCSQVGLSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001365305730 894884811 /nfs/dbraw/zinc/88/48/11/894884811.db2.gz NTOIYOIXHBSBRS-OCCSQVGLSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC001365305731 894885926 /nfs/dbraw/zinc/88/59/26/894885926.db2.gz NTOIYOIXHBSBRS-TZMCWYRMSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC001365305731 894885936 /nfs/dbraw/zinc/88/59/36/894885936.db2.gz NTOIYOIXHBSBRS-TZMCWYRMSA-N 2 1 299.415 -0.740 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC1 ZINC001365328342 894906667 /nfs/dbraw/zinc/90/66/67/894906667.db2.gz FIAPLIKCTPBGDD-KWCYVHTRSA-N 2 1 281.400 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001365832252 895130800 /nfs/dbraw/zinc/13/08/00/895130800.db2.gz XHQMSXQBVTZUEC-FRRDWIJNSA-N 2 1 296.415 -0.301 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001365974471 895156924 /nfs/dbraw/zinc/15/69/24/895156924.db2.gz HOLIDEPPNXFBIL-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001365974471 895156936 /nfs/dbraw/zinc/15/69/36/895156936.db2.gz HOLIDEPPNXFBIL-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001365974461 895158228 /nfs/dbraw/zinc/15/82/28/895158228.db2.gz HOLIDEPPNXFBIL-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001365974461 895158238 /nfs/dbraw/zinc/15/82/38/895158238.db2.gz HOLIDEPPNXFBIL-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001365993121 895167229 /nfs/dbraw/zinc/16/72/29/895167229.db2.gz VHADYKGRERDCDJ-NEPJUHHUSA-N 2 1 275.368 -0.151 20 0 CBADMP O=C(Cc1cnc[nH]1)NC[C@@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001366064994 895181266 /nfs/dbraw/zinc/18/12/66/895181266.db2.gz UMUWNNOMWHGUNN-NWDGAFQWSA-N 2 1 291.355 -0.675 20 0 CBADMP O=C(Cc1cnc[nH]1)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001366065005 895182473 /nfs/dbraw/zinc/18/24/73/895182473.db2.gz UMUWNNOMWHGUNN-VXGBXAGGSA-N 2 1 291.355 -0.675 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366082992 895184398 /nfs/dbraw/zinc/18/43/98/895184398.db2.gz REFARDHNQDJERP-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366082994 895185562 /nfs/dbraw/zinc/18/55/62/895185562.db2.gz REFARDHNQDJERP-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366082990 895186094 /nfs/dbraw/zinc/18/60/94/895186094.db2.gz REFARDHNQDJERP-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001366097347 895188401 /nfs/dbraw/zinc/18/84/01/895188401.db2.gz GVMMOZGLSAARPR-IHRRRGAJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001366116349 895196989 /nfs/dbraw/zinc/19/69/89/895196989.db2.gz LNGUUDRKTYDDBQ-JHJVBQTASA-N 2 1 296.371 -0.564 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001366130697 895200209 /nfs/dbraw/zinc/20/02/09/895200209.db2.gz JPWCNJFBVMQUNU-HAQNSBGRSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O)[NH+](C)C ZINC001366137279 895201361 /nfs/dbraw/zinc/20/13/61/895201361.db2.gz NSAGNHBITAWWHU-WVMKXHBISA-N 2 1 296.415 -0.077 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001366165143 895214519 /nfs/dbraw/zinc/21/45/19/895214519.db2.gz BDBZITWUONXDDC-TXEJJXNPSA-N 2 1 294.403 -0.108 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001366183909 895216646 /nfs/dbraw/zinc/21/66/46/895216646.db2.gz FYUOSEQPVKWUTO-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP CC[C@@H]([NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001366357662 895291818 /nfs/dbraw/zinc/29/18/18/895291818.db2.gz MFTHUDANQQWPHH-GXSJLCMTSA-N 2 1 281.360 -0.450 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001366383001 895303280 /nfs/dbraw/zinc/30/32/80/895303280.db2.gz YURGNVBOSSFAGZ-GXTWGEPZSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001366396819 895308476 /nfs/dbraw/zinc/30/84/76/895308476.db2.gz XMRCNYCWMRGZQW-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001366411981 895316793 /nfs/dbraw/zinc/31/67/93/895316793.db2.gz SCFJKZSFNCFXIP-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CN1CCC[C@H]([N@H+](C)CCNC(=O)CCC[NH+](C)C)C1=O ZINC001366564342 895380747 /nfs/dbraw/zinc/38/07/47/895380747.db2.gz LDTDHXWCMHSMHJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CN1CCC[C@H]([N@@H+](C)CCNC(=O)CCC[NH+](C)C)C1=O ZINC001366564342 895380764 /nfs/dbraw/zinc/38/07/64/895380764.db2.gz LDTDHXWCMHSMHJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001366562628 895382302 /nfs/dbraw/zinc/38/23/02/895382302.db2.gz GFBZKYNTZCPMPW-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001366562628 895382313 /nfs/dbraw/zinc/38/23/13/895382313.db2.gz GFBZKYNTZCPMPW-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001366592936 895400956 /nfs/dbraw/zinc/40/09/56/895400956.db2.gz OTDNKWTYBJGRID-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001366592936 895400953 /nfs/dbraw/zinc/40/09/53/895400953.db2.gz OTDNKWTYBJGRID-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001366592936 895400961 /nfs/dbraw/zinc/40/09/61/895400961.db2.gz OTDNKWTYBJGRID-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001366592936 895400966 /nfs/dbraw/zinc/40/09/66/895400966.db2.gz OTDNKWTYBJGRID-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)CCNC(=O)C1CC1 ZINC001366589426 895403101 /nfs/dbraw/zinc/40/31/01/895403101.db2.gz YNZPPWPVSLCDHQ-UHFFFAOYSA-N 2 1 296.415 -0.344 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@@H](O)COC ZINC001366639147 895418901 /nfs/dbraw/zinc/41/89/01/895418901.db2.gz FHJLGKHBMRGIKB-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@@H](O)COC ZINC001366639147 895418910 /nfs/dbraw/zinc/41/89/10/895418910.db2.gz FHJLGKHBMRGIKB-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@@H](O)COC ZINC001366639147 895418922 /nfs/dbraw/zinc/41/89/22/895418922.db2.gz FHJLGKHBMRGIKB-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCCN1[C@H]1CCNC1=O ZINC001366675907 895425207 /nfs/dbraw/zinc/42/52/07/895425207.db2.gz IERRGGOOEGWUDP-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@H]1CCNC1=O ZINC001366675907 895425211 /nfs/dbraw/zinc/42/52/11/895425211.db2.gz IERRGGOOEGWUDP-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@H]1CCNC1=O ZINC001366675907 895425217 /nfs/dbraw/zinc/42/52/17/895425217.db2.gz IERRGGOOEGWUDP-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001366675907 895425221 /nfs/dbraw/zinc/42/52/21/895425221.db2.gz IERRGGOOEGWUDP-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CN(C)C(=O)C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001366762876 895451924 /nfs/dbraw/zinc/45/19/24/895451924.db2.gz RFUANJWFJLBDQL-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001366762876 895451932 /nfs/dbraw/zinc/45/19/32/895451932.db2.gz RFUANJWFJLBDQL-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001366762876 895451940 /nfs/dbraw/zinc/45/19/40/895451940.db2.gz RFUANJWFJLBDQL-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366762876 895451947 /nfs/dbraw/zinc/45/19/47/895451947.db2.gz RFUANJWFJLBDQL-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001366768676 895453541 /nfs/dbraw/zinc/45/35/41/895453541.db2.gz HERAYSVQGBTKSF-GMTAPVOTSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001366768678 895454439 /nfs/dbraw/zinc/45/44/39/895454439.db2.gz HERAYSVQGBTKSF-HBNTYKKESA-N 2 1 270.377 -0.752 20 0 CBADMP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001366779045 895461295 /nfs/dbraw/zinc/46/12/95/895461295.db2.gz QRVVWMXKYCZMMJ-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001366871684 895472849 /nfs/dbraw/zinc/47/28/49/895472849.db2.gz OZWDPOVGNPYPAO-NEPJUHHUSA-N 2 1 293.371 -0.463 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366873163 895473573 /nfs/dbraw/zinc/47/35/73/895473573.db2.gz QXBHTIRLGSPZLE-OLZOCXBDSA-N 2 1 296.415 -0.536 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366907043 895479798 /nfs/dbraw/zinc/47/97/98/895479798.db2.gz GEJKIWLFCAFERZ-MELADBBJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001366907043 895479802 /nfs/dbraw/zinc/47/98/02/895479802.db2.gz GEJKIWLFCAFERZ-MELADBBJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001366907043 895479806 /nfs/dbraw/zinc/47/98/06/895479806.db2.gz GEJKIWLFCAFERZ-MELADBBJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)CN1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001366937714 895496194 /nfs/dbraw/zinc/49/61/94/895496194.db2.gz APHAAJZSPMKMQQ-YPMHNXCESA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@@H](C)N1CC(NC(=O)[C@H](C)CN2CCOCC2)C1 ZINC001366948572 895497888 /nfs/dbraw/zinc/49/78/88/895497888.db2.gz KAHGIVDVCOCXOY-CHWSQXEVSA-N 2 1 299.415 -0.210 20 0 CBADMP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001366970616 895512620 /nfs/dbraw/zinc/51/26/20/895512620.db2.gz DOLXYDROGISXKB-CHWSQXEVSA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC001366987649 895515574 /nfs/dbraw/zinc/51/55/74/895515574.db2.gz OHVBMCUULTVHSB-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC001366987649 895515577 /nfs/dbraw/zinc/51/55/77/895515577.db2.gz OHVBMCUULTVHSB-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001366983889 895516291 /nfs/dbraw/zinc/51/62/91/895516291.db2.gz YRKSHGAHMZHHJP-RYUDHWBXSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366983889 895516304 /nfs/dbraw/zinc/51/63/04/895516304.db2.gz YRKSHGAHMZHHJP-RYUDHWBXSA-N 2 1 296.415 -0.489 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001367065576 895551480 /nfs/dbraw/zinc/55/14/80/895551480.db2.gz RLVFEPHZSSMFQS-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001367065576 895551496 /nfs/dbraw/zinc/55/14/96/895551496.db2.gz RLVFEPHZSSMFQS-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001367065576 895551512 /nfs/dbraw/zinc/55/15/12/895551512.db2.gz RLVFEPHZSSMFQS-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001367065576 895551527 /nfs/dbraw/zinc/55/15/27/895551527.db2.gz RLVFEPHZSSMFQS-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001367060962 895552907 /nfs/dbraw/zinc/55/29/07/895552907.db2.gz HOOMAIYYJKQIKP-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001367060962 895552870 /nfs/dbraw/zinc/55/28/70/895552870.db2.gz HOOMAIYYJKQIKP-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001367060962 895552883 /nfs/dbraw/zinc/55/28/83/895552883.db2.gz HOOMAIYYJKQIKP-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001367060962 895552895 /nfs/dbraw/zinc/55/28/95/895552895.db2.gz HOOMAIYYJKQIKP-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cn(C)nn1 ZINC001367142862 895575361 /nfs/dbraw/zinc/57/53/61/895575361.db2.gz QYXPECQZTBNUPC-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001367222046 895586577 /nfs/dbraw/zinc/58/65/77/895586577.db2.gz UGHQXAPUTATWNN-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367280513 895601982 /nfs/dbraw/zinc/60/19/82/895601982.db2.gz AIYLUISJXJLLKZ-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001367281772 895602128 /nfs/dbraw/zinc/60/21/28/895602128.db2.gz AMQIPHLXOGNACZ-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]([NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001367291422 895605090 /nfs/dbraw/zinc/60/50/90/895605090.db2.gz WAGLHKJSBXZZPC-CMPLNLGQSA-N 2 1 295.387 -0.203 20 0 CBADMP C[C@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001367365547 895625477 /nfs/dbraw/zinc/62/54/77/895625477.db2.gz ZCGZBRYYBWZOLH-YPMHNXCESA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367377815 895628910 /nfs/dbraw/zinc/62/89/10/895628910.db2.gz QEGOPHGECWOMDI-NWDGAFQWSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001367377815 895628917 /nfs/dbraw/zinc/62/89/17/895628917.db2.gz QEGOPHGECWOMDI-NWDGAFQWSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001367414221 895633103 /nfs/dbraw/zinc/63/31/03/895633103.db2.gz MOZYZGNMZAOEJV-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001367531961 895656551 /nfs/dbraw/zinc/65/65/51/895656551.db2.gz DHNFPACONSBQKJ-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001367531961 895656557 /nfs/dbraw/zinc/65/65/57/895656557.db2.gz DHNFPACONSBQKJ-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367588593 895688755 /nfs/dbraw/zinc/68/87/55/895688755.db2.gz XTDNZUVMHHFCRU-VXGBXAGGSA-N 2 1 295.387 -0.919 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nocc1C)[NH+](C)C ZINC001367595046 895691054 /nfs/dbraw/zinc/69/10/54/895691054.db2.gz TWICMBHKYBZLKT-WCQYABFASA-N 2 1 298.387 -0.110 20 0 CBADMP C[C@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)c1ncccn1 ZINC001367607258 895697171 /nfs/dbraw/zinc/69/71/71/895697171.db2.gz XJCPZPNFKHVRJO-RYUDHWBXSA-N 2 1 295.387 -0.444 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001367625267 895711982 /nfs/dbraw/zinc/71/19/82/895711982.db2.gz DPVCBYMYXYZGQC-OLZOCXBDSA-N 2 1 287.404 -0.570 20 0 CBADMP CC[C@@H]([NH2+]CC[C@H](C)NC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001367636092 895718589 /nfs/dbraw/zinc/71/85/89/895718589.db2.gz BWJLVYQPWBKUEO-CMPLNLGQSA-N 2 1 295.387 -0.060 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001367646009 895722681 /nfs/dbraw/zinc/72/26/81/895722681.db2.gz YNZCHCMMIIQPSO-NWDGAFQWSA-N 2 1 286.420 -0.055 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001367706800 895759513 /nfs/dbraw/zinc/75/95/13/895759513.db2.gz SMQBKZUTKNATMI-MNOVXSKESA-N 2 1 270.377 -0.689 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367726028 895771428 /nfs/dbraw/zinc/77/14/28/895771428.db2.gz UDHIZCWVAHASRD-SDDRHHMPSA-N 2 1 273.377 -0.818 20 0 CBADMP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001367750881 895784248 /nfs/dbraw/zinc/78/42/48/895784248.db2.gz UPQLFUJWIWRAQN-DMDPSCGWSA-N 2 1 296.415 -0.158 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001367765555 895798909 /nfs/dbraw/zinc/79/89/09/895798909.db2.gz CDZYKDAYZOGIGR-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367770530 895801014 /nfs/dbraw/zinc/80/10/14/895801014.db2.gz CVZANOHFJFVYDT-WDEREUQCSA-N 2 1 270.377 -0.879 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001367771101 895801241 /nfs/dbraw/zinc/80/12/41/895801241.db2.gz IHYNNYJXPRENLC-JQWIXIFHSA-N 2 1 293.371 -0.436 20 0 CBADMP CC[C@@H](C(N)=O)N(C)C[C@H](C)NC(=O)CCn1ccnc1 ZINC001367820921 895823906 /nfs/dbraw/zinc/82/39/06/895823906.db2.gz OMYULBNUWWYIKS-RYUDHWBXSA-N 2 1 295.387 -0.026 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001367959834 895867262 /nfs/dbraw/zinc/86/72/62/895867262.db2.gz BFLPXVXEYHIUDC-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001367962228 895867666 /nfs/dbraw/zinc/86/76/66/895867666.db2.gz RDNIKBOAEWVWTM-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001367959837 895869704 /nfs/dbraw/zinc/86/97/04/895869704.db2.gz BFLPXVXEYHIUDC-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CO[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001367988381 895881851 /nfs/dbraw/zinc/88/18/51/895881851.db2.gz DCLNUJOAAIZSNG-NEPJUHHUSA-N 2 1 285.388 -0.410 20 0 CBADMP CO[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001367988381 895881854 /nfs/dbraw/zinc/88/18/54/895881854.db2.gz DCLNUJOAAIZSNG-NEPJUHHUSA-N 2 1 285.388 -0.410 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001368004646 895889121 /nfs/dbraw/zinc/88/91/21/895889121.db2.gz ARRJVZLCVZVUFE-GFCCVEGCSA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001368035598 895895138 /nfs/dbraw/zinc/89/51/38/895895138.db2.gz ODZVVYXZROFFEF-LBPRGKRZSA-N 2 1 296.415 -0.299 20 0 CBADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001368037294 895897374 /nfs/dbraw/zinc/89/73/74/895897374.db2.gz VFRRBXLKBNAYRX-NWDGAFQWSA-N 2 1 285.388 -0.816 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001368162357 895924661 /nfs/dbraw/zinc/92/46/61/895924661.db2.gz NBLRTAKAOGYUQV-RISCZKNCSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001368162357 895924671 /nfs/dbraw/zinc/92/46/71/895924671.db2.gz NBLRTAKAOGYUQV-RISCZKNCSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCCO)C1 ZINC001368244174 895937596 /nfs/dbraw/zinc/93/75/96/895937596.db2.gz IGIOXEPGUXMPEK-TZMCWYRMSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001368244174 895937608 /nfs/dbraw/zinc/93/76/08/895937608.db2.gz IGIOXEPGUXMPEK-TZMCWYRMSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001368244174 895937621 /nfs/dbraw/zinc/93/76/21/895937621.db2.gz IGIOXEPGUXMPEK-TZMCWYRMSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001368255048 895944897 /nfs/dbraw/zinc/94/48/97/895944897.db2.gz ITPGTEZZLBWBTI-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001368255048 895944912 /nfs/dbraw/zinc/94/49/12/895944912.db2.gz ITPGTEZZLBWBTI-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001368407479 896005063 /nfs/dbraw/zinc/00/50/63/896005063.db2.gz VJXUZOWDQSYVCY-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001368407479 896005073 /nfs/dbraw/zinc/00/50/73/896005073.db2.gz VJXUZOWDQSYVCY-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001368407479 896005088 /nfs/dbraw/zinc/00/50/88/896005088.db2.gz VJXUZOWDQSYVCY-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001368536725 896031778 /nfs/dbraw/zinc/03/17/78/896031778.db2.gz MYZXMVODZXHSHG-WUHRBBMRSA-N 2 1 296.415 -0.443 20 0 CBADMP CN(CCC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCCC[NH+]1C ZINC001368549512 896035710 /nfs/dbraw/zinc/03/57/10/896035710.db2.gz QLZVUKDOBHYFJO-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CN(CCC[NH+](C)CC(N)=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001368549512 896035716 /nfs/dbraw/zinc/03/57/16/896035716.db2.gz QLZVUKDOBHYFJO-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CN(CCC[NH+](C)CC(N)=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001368549512 896035722 /nfs/dbraw/zinc/03/57/22/896035722.db2.gz QLZVUKDOBHYFJO-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001368612923 896046074 /nfs/dbraw/zinc/04/60/74/896046074.db2.gz LYBUDAHGSVCNSU-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001368612923 896046088 /nfs/dbraw/zinc/04/60/88/896046088.db2.gz LYBUDAHGSVCNSU-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001368679931 896057840 /nfs/dbraw/zinc/05/78/40/896057840.db2.gz ZFAMLLHMSNTQOE-STQMWFEESA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001368679928 896060268 /nfs/dbraw/zinc/06/02/68/896060268.db2.gz ZFAMLLHMSNTQOE-QWHCGFSZSA-N 2 1 299.415 -0.596 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001368730379 896070645 /nfs/dbraw/zinc/07/06/45/896070645.db2.gz RCJILWMVOFKRNX-QJPTWQEYSA-N 2 1 284.404 -0.301 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001368741191 896071921 /nfs/dbraw/zinc/07/19/21/896071921.db2.gz GEWWYCOFFALDIE-NSHDSACASA-N 2 1 295.387 -0.024 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001368748897 896073010 /nfs/dbraw/zinc/07/30/10/896073010.db2.gz MVHDSXPFNAOHNC-QWRGUYRKSA-N 2 1 295.387 -0.190 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001368784816 896079286 /nfs/dbraw/zinc/07/92/86/896079286.db2.gz LQUFQGOGMDMUMP-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP C[NH+](CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O)C1CCC1 ZINC001368811050 896090221 /nfs/dbraw/zinc/09/02/21/896090221.db2.gz VUBMIOPRKPJWRW-ZDUSSCGKSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O)C1CCC1 ZINC001368811050 896090236 /nfs/dbraw/zinc/09/02/36/896090236.db2.gz VUBMIOPRKPJWRW-ZDUSSCGKSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001368811050 896090249 /nfs/dbraw/zinc/09/02/49/896090249.db2.gz VUBMIOPRKPJWRW-ZDUSSCGKSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001368811050 896090265 /nfs/dbraw/zinc/09/02/65/896090265.db2.gz VUBMIOPRKPJWRW-ZDUSSCGKSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001369090550 896149378 /nfs/dbraw/zinc/14/93/78/896149378.db2.gz RIVOAHQHLYZXIX-VXGBXAGGSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001369090543 896150657 /nfs/dbraw/zinc/15/06/57/896150657.db2.gz RIVOAHQHLYZXIX-NEPJUHHUSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001369090546 896150842 /nfs/dbraw/zinc/15/08/42/896150842.db2.gz RIVOAHQHLYZXIX-NWDGAFQWSA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001369127873 896159589 /nfs/dbraw/zinc/15/95/89/896159589.db2.gz XTKIEYXXIHRXOZ-GFCCVEGCSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001369127873 896159596 /nfs/dbraw/zinc/15/95/96/896159596.db2.gz XTKIEYXXIHRXOZ-GFCCVEGCSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001369127873 896159603 /nfs/dbraw/zinc/15/96/03/896159603.db2.gz XTKIEYXXIHRXOZ-GFCCVEGCSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001369127873 896159613 /nfs/dbraw/zinc/15/96/13/896159613.db2.gz XTKIEYXXIHRXOZ-GFCCVEGCSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001369167409 896165223 /nfs/dbraw/zinc/16/52/23/896165223.db2.gz HEWLEWCFCFMSPG-CYDGBPFRSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001369174405 896165378 /nfs/dbraw/zinc/16/53/78/896165378.db2.gz DHBPUBKCWGEBJR-IHRRRGAJSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001369307440 896195862 /nfs/dbraw/zinc/19/58/62/896195862.db2.gz QVPQXTDMJQMUTO-CHWSQXEVSA-N 2 1 294.403 -0.334 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cccnc1 ZINC001369356981 896236156 /nfs/dbraw/zinc/23/61/56/896236156.db2.gz YEJLBEDWEOJKQC-UONOGXRCSA-N 2 1 292.383 -0.258 20 0 CBADMP CCC[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001369360559 896240538 /nfs/dbraw/zinc/24/05/38/896240538.db2.gz FBXMWYNKMNBBGJ-LBPRGKRZSA-N 2 1 273.377 -0.815 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001369438902 896269023 /nfs/dbraw/zinc/26/90/23/896269023.db2.gz XOYSBGPZFKTNBA-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001369438902 896269039 /nfs/dbraw/zinc/26/90/39/896269039.db2.gz XOYSBGPZFKTNBA-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001369438910 896270092 /nfs/dbraw/zinc/27/00/92/896270092.db2.gz XOYSBGPZFKTNBA-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001369438910 896270108 /nfs/dbraw/zinc/27/01/08/896270108.db2.gz XOYSBGPZFKTNBA-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnon1)[NH+](C)C ZINC001369474440 896285822 /nfs/dbraw/zinc/28/58/22/896285822.db2.gz KCIGELLIFDUYAM-NEPJUHHUSA-N 2 1 299.375 -0.681 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C[C@H](O)COC)C1)[NH+](C)C ZINC001370016687 896385288 /nfs/dbraw/zinc/38/52/88/896385288.db2.gz MJIMVNLMANILIU-AVGNSLFASA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001370058407 896397210 /nfs/dbraw/zinc/39/72/10/896397210.db2.gz DLQWSLAEHQHLFT-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001370058407 896397228 /nfs/dbraw/zinc/39/72/28/896397228.db2.gz DLQWSLAEHQHLFT-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001370358157 896420366 /nfs/dbraw/zinc/42/03/66/896420366.db2.gz XXIGNSHLNHUDEG-AVGNSLFASA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001370396973 896423484 /nfs/dbraw/zinc/42/34/84/896423484.db2.gz ZCCDYFNPKKMPPX-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001370546392 896440189 /nfs/dbraw/zinc/44/01/89/896440189.db2.gz YBJOYYUQRUBQQH-IHRRRGAJSA-N 2 1 299.415 -0.020 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001370565373 896440295 /nfs/dbraw/zinc/44/02/95/896440295.db2.gz ZZESWDAPABHHAL-LPWJVIDDSA-N 2 1 285.388 -0.818 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001370530611 896441925 /nfs/dbraw/zinc/44/19/25/896441925.db2.gz DVVPTFQIQMPDLQ-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001370614065 896447216 /nfs/dbraw/zinc/44/72/16/896447216.db2.gz PKQSGWVLOHQLDO-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC1CCC([NH2+]CCO)CC1 ZINC001371081063 896543905 /nfs/dbraw/zinc/54/39/05/896543905.db2.gz XFTIRMZDZJMHOG-UHFFFAOYSA-N 2 1 299.415 -0.282 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001371138718 896554717 /nfs/dbraw/zinc/55/47/17/896554717.db2.gz IRZALBCASIIOBF-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCCC1 ZINC001371144859 896556316 /nfs/dbraw/zinc/55/63/16/896556316.db2.gz WWLSNOQVWXRLTI-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001371308119 896588708 /nfs/dbraw/zinc/58/87/08/896588708.db2.gz FLUJXQXSYVMZHL-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H](C)c1nnnn1C ZINC001371343951 896593918 /nfs/dbraw/zinc/59/39/18/896593918.db2.gz IBVJCPBYBNSACY-GHMZBOCLSA-N 2 1 297.407 -0.293 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001371422618 896606722 /nfs/dbraw/zinc/60/67/22/896606722.db2.gz DRSZVHVZPHDJLE-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001371412240 896607235 /nfs/dbraw/zinc/60/72/35/896607235.db2.gz WUWINNXGBSVVKR-QWRGUYRKSA-N 2 1 272.393 -0.443 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001371424404 896610147 /nfs/dbraw/zinc/61/01/47/896610147.db2.gz IBJIYAPOZZHYQM-MNOVXSKESA-N 2 1 272.393 -0.443 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001371426848 896610795 /nfs/dbraw/zinc/61/07/95/896610795.db2.gz KXFBHMRSKYOKGP-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001371426848 896610801 /nfs/dbraw/zinc/61/08/01/896610801.db2.gz KXFBHMRSKYOKGP-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H](C)c1nnnn1C ZINC001371472794 896619475 /nfs/dbraw/zinc/61/94/75/896619475.db2.gz NHRLYCYQYRNTKL-GHMZBOCLSA-N 2 1 295.391 -0.539 20 0 CBADMP CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001371475380 896620009 /nfs/dbraw/zinc/62/00/09/896620009.db2.gz RZHZBBUOJKHAQJ-RYUDHWBXSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001371475380 896620015 /nfs/dbraw/zinc/62/00/15/896620015.db2.gz RZHZBBUOJKHAQJ-RYUDHWBXSA-N 2 1 294.403 -0.156 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]CCn1cncn1 ZINC001371476183 896620950 /nfs/dbraw/zinc/62/09/50/896620950.db2.gz VIHRIMPMSXYNAE-NSHDSACASA-N 2 1 291.359 -0.422 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001371511200 896625823 /nfs/dbraw/zinc/62/58/23/896625823.db2.gz XFFJDMIUEKEEEC-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001371736269 896658401 /nfs/dbraw/zinc/65/84/01/896658401.db2.gz UTXRAQQIRGAVBI-AAEUAGOBSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001371876655 896673504 /nfs/dbraw/zinc/67/35/04/896673504.db2.gz IRYRARLSJDLQTD-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001371929391 896686343 /nfs/dbraw/zinc/68/63/43/896686343.db2.gz XXJRZRIMPOCDGH-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CN1CC[C@@H]([N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001371929391 896686327 /nfs/dbraw/zinc/68/63/27/896686327.db2.gz XXJRZRIMPOCDGH-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001371929391 896686333 /nfs/dbraw/zinc/68/63/33/896686333.db2.gz XXJRZRIMPOCDGH-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001371929391 896686340 /nfs/dbraw/zinc/68/63/40/896686340.db2.gz XXJRZRIMPOCDGH-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCNC1=O ZINC001371968692 896696330 /nfs/dbraw/zinc/69/63/30/896696330.db2.gz IPCGWRRRLNGPIV-OLZOCXBDSA-N 2 1 294.399 -0.735 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCNC1=O ZINC001371968692 896696339 /nfs/dbraw/zinc/69/63/39/896696339.db2.gz IPCGWRRRLNGPIV-OLZOCXBDSA-N 2 1 294.399 -0.735 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001371999935 896706675 /nfs/dbraw/zinc/70/66/75/896706675.db2.gz NUBPSKWDBLHHRR-OLZOCXBDSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001371999935 896706686 /nfs/dbraw/zinc/70/66/86/896706686.db2.gz NUBPSKWDBLHHRR-OLZOCXBDSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001372093178 896725104 /nfs/dbraw/zinc/72/51/04/896725104.db2.gz QZBFPWGAGICJDL-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001372093178 896725113 /nfs/dbraw/zinc/72/51/13/896725113.db2.gz QZBFPWGAGICJDL-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)CCCO ZINC001372224361 896749495 /nfs/dbraw/zinc/74/94/95/896749495.db2.gz MCQHOEQQNVDQLL-CYBMUJFWSA-N 2 1 287.404 -0.615 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H](C)C(N)=O ZINC001372396475 896783951 /nfs/dbraw/zinc/78/39/51/896783951.db2.gz MWKRVPVZLXDORC-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H](C)C(N)=O ZINC001372396475 896783959 /nfs/dbraw/zinc/78/39/59/896783959.db2.gz MWKRVPVZLXDORC-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@@H](C)C(N)=O ZINC001372396475 896783962 /nfs/dbraw/zinc/78/39/62/896783962.db2.gz MWKRVPVZLXDORC-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@@H](C)C(N)=O ZINC001372396475 896783967 /nfs/dbraw/zinc/78/39/67/896783967.db2.gz MWKRVPVZLXDORC-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@@H](C)C(N)=O ZINC001372573063 896811948 /nfs/dbraw/zinc/81/19/48/896811948.db2.gz FQBDMKMQKXXHQR-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@@H](C)C(N)=O ZINC001372573063 896811965 /nfs/dbraw/zinc/81/19/65/896811965.db2.gz FQBDMKMQKXXHQR-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001372573063 896811986 /nfs/dbraw/zinc/81/19/86/896811986.db2.gz FQBDMKMQKXXHQR-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001372573063 896812009 /nfs/dbraw/zinc/81/20/09/896812009.db2.gz FQBDMKMQKXXHQR-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001372622096 896821878 /nfs/dbraw/zinc/82/18/78/896821878.db2.gz XWZFABZFCXKCDO-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001372657365 896828285 /nfs/dbraw/zinc/82/82/85/896828285.db2.gz YNRLZJWJDUJRJN-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001372668720 896836704 /nfs/dbraw/zinc/83/67/04/896836704.db2.gz TUBUMSNNFQWASJ-CYBMUJFWSA-N 2 1 296.415 -0.358 20 0 CBADMP CCC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC(N)=O ZINC001372716372 896840359 /nfs/dbraw/zinc/84/03/59/896840359.db2.gz WOGHZTDBDODONF-UHFFFAOYSA-N 2 1 296.415 -0.072 20 0 CBADMP CCC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC(N)=O ZINC001372716372 896840369 /nfs/dbraw/zinc/84/03/69/896840369.db2.gz WOGHZTDBDODONF-UHFFFAOYSA-N 2 1 296.415 -0.072 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001372842290 896883231 /nfs/dbraw/zinc/88/32/31/896883231.db2.gz OEPLGMZPMUQNAU-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001372842290 896883254 /nfs/dbraw/zinc/88/32/54/896883254.db2.gz OEPLGMZPMUQNAU-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@H](C)[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001372842290 896883276 /nfs/dbraw/zinc/88/32/76/896883276.db2.gz OEPLGMZPMUQNAU-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@H](C)[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001372842290 896883293 /nfs/dbraw/zinc/88/32/93/896883293.db2.gz OEPLGMZPMUQNAU-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](O)C[N@H+](CCNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001372884140 896893084 /nfs/dbraw/zinc/89/30/84/896893084.db2.gz JYHPDYMFZSZVHY-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](O)C[N@@H+](CCNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001372884140 896893096 /nfs/dbraw/zinc/89/30/96/896893096.db2.gz JYHPDYMFZSZVHY-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC001373382224 896989776 /nfs/dbraw/zinc/98/97/76/896989776.db2.gz MEYQQKXMIJSLPN-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001373530497 897043050 /nfs/dbraw/zinc/04/30/50/897043050.db2.gz GFTSJCSAYUHIOM-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP CCN1CC[C@@H]([NH+]2CC(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001373530652 897045338 /nfs/dbraw/zinc/04/53/38/897045338.db2.gz RGRUQKZFAADRGE-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001373639535 897085616 /nfs/dbraw/zinc/08/56/16/897085616.db2.gz BHXCBUMBVUMLIY-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001373639535 897085631 /nfs/dbraw/zinc/08/56/31/897085631.db2.gz BHXCBUMBVUMLIY-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP CN(CCNC(=O)CCC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1C ZINC001373642507 897086573 /nfs/dbraw/zinc/08/65/73/897086573.db2.gz GTQJGKKWUYQVGH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001373647734 897086871 /nfs/dbraw/zinc/08/68/71/897086871.db2.gz ZSFGRZFXNIIEQG-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001373647734 897086888 /nfs/dbraw/zinc/08/68/88/897086888.db2.gz ZSFGRZFXNIIEQG-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001373647734 897086899 /nfs/dbraw/zinc/08/68/99/897086899.db2.gz ZSFGRZFXNIIEQG-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001373647734 897086916 /nfs/dbraw/zinc/08/69/16/897086916.db2.gz ZSFGRZFXNIIEQG-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(N)=O ZINC001373757942 897115046 /nfs/dbraw/zinc/11/50/46/897115046.db2.gz KQBYPKNRELEPCG-SNVBAGLBSA-N 2 1 270.377 -0.560 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001373783276 897123430 /nfs/dbraw/zinc/12/34/30/897123430.db2.gz SULVWRRCEHMQIJ-NWDGAFQWSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001373783276 897123436 /nfs/dbraw/zinc/12/34/36/897123436.db2.gz SULVWRRCEHMQIJ-NWDGAFQWSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001373783285 897124495 /nfs/dbraw/zinc/12/44/95/897124495.db2.gz SULVWRRCEHMQIJ-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001373783285 897124500 /nfs/dbraw/zinc/12/45/00/897124500.db2.gz SULVWRRCEHMQIJ-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001373972464 897144902 /nfs/dbraw/zinc/14/49/02/897144902.db2.gz RKFBBKBOHZAOCN-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@@H+](CC(=O)NCC1([NH2+]CC(N)=O)CCCC1)C1CCC1 ZINC001374161272 897179124 /nfs/dbraw/zinc/17/91/24/897179124.db2.gz HXNAFDIVWYVTBE-UHFFFAOYSA-N 2 1 296.415 -0.025 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374282466 897204476 /nfs/dbraw/zinc/20/44/76/897204476.db2.gz PTTYIRZMQZDGEQ-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374325815 897211295 /nfs/dbraw/zinc/21/12/95/897211295.db2.gz JNWBBEMRIXFWAR-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374325815 897211310 /nfs/dbraw/zinc/21/13/10/897211310.db2.gz JNWBBEMRIXFWAR-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374325816 897213617 /nfs/dbraw/zinc/21/36/17/897213617.db2.gz JNWBBEMRIXFWAR-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374325816 897213633 /nfs/dbraw/zinc/21/36/33/897213633.db2.gz JNWBBEMRIXFWAR-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)C(C)C ZINC001374456809 897230197 /nfs/dbraw/zinc/23/01/97/897230197.db2.gz WJBGNZRIUNESFO-LBPRGKRZSA-N 2 1 286.420 -0.197 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001374530720 897246396 /nfs/dbraw/zinc/24/63/96/897246396.db2.gz QOUPPSGUUBTOMS-LLVKDONJSA-N 2 1 270.377 -0.783 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001374530720 897246409 /nfs/dbraw/zinc/24/64/09/897246409.db2.gz QOUPPSGUUBTOMS-LLVKDONJSA-N 2 1 270.377 -0.783 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001374539335 897252854 /nfs/dbraw/zinc/25/28/54/897252854.db2.gz ZSYUNYPBDMCIPK-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001374539335 897252868 /nfs/dbraw/zinc/25/28/68/897252868.db2.gz ZSYUNYPBDMCIPK-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374539335 897252885 /nfs/dbraw/zinc/25/28/85/897252885.db2.gz ZSYUNYPBDMCIPK-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374539335 897252901 /nfs/dbraw/zinc/25/29/01/897252901.db2.gz ZSYUNYPBDMCIPK-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(N)=O)C1 ZINC001374562377 897261695 /nfs/dbraw/zinc/26/16/95/897261695.db2.gz PENRHZSJQNVBGK-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CN(CCN(C)[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374556698 897263339 /nfs/dbraw/zinc/26/33/39/897263339.db2.gz RYBVBDCNJPUXBZ-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001374556698 897263352 /nfs/dbraw/zinc/26/33/52/897263352.db2.gz RYBVBDCNJPUXBZ-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001374556698 897263363 /nfs/dbraw/zinc/26/33/63/897263363.db2.gz RYBVBDCNJPUXBZ-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374556698 897263379 /nfs/dbraw/zinc/26/33/79/897263379.db2.gz RYBVBDCNJPUXBZ-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374556698 897263397 /nfs/dbraw/zinc/26/33/97/897263397.db2.gz RYBVBDCNJPUXBZ-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001374593677 897293257 /nfs/dbraw/zinc/29/32/57/897293257.db2.gz ZCEZOOVXSVZILM-OLZOCXBDSA-N 2 1 296.371 -0.356 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001374668184 897336370 /nfs/dbraw/zinc/33/63/70/897336370.db2.gz FCAFRCJEXGBVGV-AAEUAGOBSA-N 2 1 296.371 -0.417 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001374668184 897336385 /nfs/dbraw/zinc/33/63/85/897336385.db2.gz FCAFRCJEXGBVGV-AAEUAGOBSA-N 2 1 296.371 -0.417 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nocc1C)[NH+](C)C ZINC001374672730 897338666 /nfs/dbraw/zinc/33/86/66/897338666.db2.gz TWICMBHKYBZLKT-AAEUAGOBSA-N 2 1 298.387 -0.110 20 0 CBADMP CC[C@@H]([NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001374709379 897352168 /nfs/dbraw/zinc/35/21/68/897352168.db2.gz HTGCSGIHLFYKNZ-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001374738445 897368290 /nfs/dbraw/zinc/36/82/90/897368290.db2.gz QEGQKPRQPWBSCR-PWSUYJOCSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001374738445 897368306 /nfs/dbraw/zinc/36/83/06/897368306.db2.gz QEGQKPRQPWBSCR-PWSUYJOCSA-N 2 1 280.376 -0.496 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001374774194 897384473 /nfs/dbraw/zinc/38/44/73/897384473.db2.gz DOODHAQYSLWDPH-JHJVBQTASA-N 2 1 287.404 -0.428 20 0 CBADMP CCn1ncnc1CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374844033 897407184 /nfs/dbraw/zinc/40/71/84/897407184.db2.gz WFKDECXABDATKG-NEPJUHHUSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374844033 897407194 /nfs/dbraw/zinc/40/71/94/897407194.db2.gz WFKDECXABDATKG-NEPJUHHUSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374844033 897407198 /nfs/dbraw/zinc/40/71/98/897407198.db2.gz WFKDECXABDATKG-NEPJUHHUSA-N 2 1 294.403 -0.156 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1nnnn1C ZINC001374833539 897408121 /nfs/dbraw/zinc/40/81/21/897408121.db2.gz LQQNGDYHVUZXTM-GHMZBOCLSA-N 2 1 297.407 -0.293 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1nnnn1C ZINC001374833539 897408134 /nfs/dbraw/zinc/40/81/34/897408134.db2.gz LQQNGDYHVUZXTM-GHMZBOCLSA-N 2 1 297.407 -0.293 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001374848046 897412652 /nfs/dbraw/zinc/41/26/52/897412652.db2.gz CBNYMFGXYKZOOD-LLVKDONJSA-N 2 1 272.393 -0.443 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374933250 897438442 /nfs/dbraw/zinc/43/84/42/897438442.db2.gz GKFIHMXPSYQRJC-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[C@@H]([NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001374976478 897447550 /nfs/dbraw/zinc/44/75/50/897447550.db2.gz IJRZLQPEPFHQIN-GXSJLCMTSA-N 2 1 281.360 -0.450 20 0 CBADMP C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001375131327 897482693 /nfs/dbraw/zinc/48/26/93/897482693.db2.gz CIIHVRDSBAUGEI-NWDGAFQWSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001375131327 897482710 /nfs/dbraw/zinc/48/27/10/897482710.db2.gz CIIHVRDSBAUGEI-NWDGAFQWSA-N 2 1 294.399 -0.593 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001375277127 897507493 /nfs/dbraw/zinc/50/74/93/897507493.db2.gz JYKAUEJATMZFJS-JQWIXIFHSA-N 2 1 284.404 -0.315 20 0 CBADMP CC[C@H]([NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1)C(N)=O ZINC001375489734 897552061 /nfs/dbraw/zinc/55/20/61/897552061.db2.gz HBZFWJAGWBXBRR-RYUDHWBXSA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2cnnn2C)CC1 ZINC001375553262 897566419 /nfs/dbraw/zinc/56/64/19/897566419.db2.gz MBYXRRXVYKNRQS-UHFFFAOYSA-N 2 1 294.403 -0.106 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001375856549 897614175 /nfs/dbraw/zinc/61/41/75/897614175.db2.gz UPUQBFSMOGTAOT-DOMZBBRYSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001375856549 897614185 /nfs/dbraw/zinc/61/41/85/897614185.db2.gz UPUQBFSMOGTAOT-DOMZBBRYSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001375856549 897614196 /nfs/dbraw/zinc/61/41/96/897614196.db2.gz UPUQBFSMOGTAOT-DOMZBBRYSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001375856549 897614206 /nfs/dbraw/zinc/61/42/06/897614206.db2.gz UPUQBFSMOGTAOT-DOMZBBRYSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001375896885 897619521 /nfs/dbraw/zinc/61/95/21/897619521.db2.gz NKPJCJYUSIUPFG-DOMZBBRYSA-N 2 1 296.415 -0.358 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](CCOC)C1 ZINC001376086483 897647804 /nfs/dbraw/zinc/64/78/04/897647804.db2.gz DMWYLHXKPRZHGM-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](CCOC)C1 ZINC001376086483 897647815 /nfs/dbraw/zinc/64/78/15/897647815.db2.gz DMWYLHXKPRZHGM-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](CCOC)C1 ZINC001376086483 897647824 /nfs/dbraw/zinc/64/78/24/897647824.db2.gz DMWYLHXKPRZHGM-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001376076869 897648055 /nfs/dbraw/zinc/64/80/55/897648055.db2.gz YQNMZOYODORUCW-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001376076869 897648060 /nfs/dbraw/zinc/64/80/60/897648060.db2.gz YQNMZOYODORUCW-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001376103341 897654070 /nfs/dbraw/zinc/65/40/70/897654070.db2.gz ZIUBRRINYDSXQQ-CQSZACIVSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001376103341 897654064 /nfs/dbraw/zinc/65/40/64/897654064.db2.gz ZIUBRRINYDSXQQ-CQSZACIVSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001376103341 897654078 /nfs/dbraw/zinc/65/40/78/897654078.db2.gz ZIUBRRINYDSXQQ-CQSZACIVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376132932 897668517 /nfs/dbraw/zinc/66/85/17/897668517.db2.gz KHOFOUSWXBWILK-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376132932 897668524 /nfs/dbraw/zinc/66/85/24/897668524.db2.gz KHOFOUSWXBWILK-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001376204754 897687484 /nfs/dbraw/zinc/68/74/84/897687484.db2.gz ZBTCUYZAIUOSIC-NEPJUHHUSA-N 2 1 282.388 -0.689 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001376364297 897719963 /nfs/dbraw/zinc/71/99/63/897719963.db2.gz FNCOZKHPFBLCKE-YRGRVCCFSA-N 2 1 299.415 -0.285 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001376445276 897735708 /nfs/dbraw/zinc/73/57/08/897735708.db2.gz VRTCODXNRZTBTM-WUHRBBMRSA-N 2 1 285.388 -0.411 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001376445276 897735696 /nfs/dbraw/zinc/73/56/96/897735696.db2.gz VRTCODXNRZTBTM-WUHRBBMRSA-N 2 1 285.388 -0.411 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001376445232 897736179 /nfs/dbraw/zinc/73/61/79/897736179.db2.gz VRTCODXNRZTBTM-FVCCEPFGSA-N 2 1 285.388 -0.411 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001376445232 897736185 /nfs/dbraw/zinc/73/61/85/897736185.db2.gz VRTCODXNRZTBTM-FVCCEPFGSA-N 2 1 285.388 -0.411 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001376469501 897749720 /nfs/dbraw/zinc/74/97/20/897749720.db2.gz NBGZWIOLINDHFG-WUHRBBMRSA-N 2 1 296.415 -0.158 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376488498 897756431 /nfs/dbraw/zinc/75/64/31/897756431.db2.gz GCRDZPKAOJQRLE-MQYQWHSLSA-N 2 1 299.415 -0.428 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376488500 897757414 /nfs/dbraw/zinc/75/74/14/897757414.db2.gz GCRDZPKAOJQRLE-YIYPIFLZSA-N 2 1 299.415 -0.428 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001376499751 897760702 /nfs/dbraw/zinc/76/07/02/897760702.db2.gz GDYHBLKBBSRTGJ-ZMLRMANQSA-N 2 1 293.371 -0.437 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001376546704 897773116 /nfs/dbraw/zinc/77/31/16/897773116.db2.gz YWISOWLSOXRQTG-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001376546704 897773125 /nfs/dbraw/zinc/77/31/25/897773125.db2.gz YWISOWLSOXRQTG-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376557016 897777264 /nfs/dbraw/zinc/77/72/64/897777264.db2.gz LPXUZDZUXFJIJV-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP CC[C@@H]([NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001376773553 897838255 /nfs/dbraw/zinc/83/82/55/897838255.db2.gz FXOSNMMXNUWIKS-MWLCHTKSSA-N 2 1 281.360 -0.450 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001376841914 897864017 /nfs/dbraw/zinc/86/40/17/897864017.db2.gz MJPIVXVMKIFRSF-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001376841914 897864023 /nfs/dbraw/zinc/86/40/23/897864023.db2.gz MJPIVXVMKIFRSF-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001376839726 897864246 /nfs/dbraw/zinc/86/42/46/897864246.db2.gz ALWWQMNKUGPRRK-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001376852410 897871902 /nfs/dbraw/zinc/87/19/02/897871902.db2.gz FQEJYIXBXOQMLV-WDEREUQCSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001376852410 897871914 /nfs/dbraw/zinc/87/19/14/897871914.db2.gz FQEJYIXBXOQMLV-WDEREUQCSA-N 2 1 295.391 -0.854 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC001376871920 897874605 /nfs/dbraw/zinc/87/46/05/897874605.db2.gz ZSKCHWYSKRQDLN-QWHCGFSZSA-N 2 1 287.404 -0.476 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)CCC1 ZINC001376874849 897875752 /nfs/dbraw/zinc/87/57/52/897875752.db2.gz ALCJHTWGBCEUGC-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001376871162 897876014 /nfs/dbraw/zinc/87/60/14/897876014.db2.gz YSPVBQXDENGPKX-NSHDSACASA-N 2 1 295.387 -0.190 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nncn1C ZINC001376884799 897881772 /nfs/dbraw/zinc/88/17/72/897881772.db2.gz UYFUMKRSDUDJCJ-LLVKDONJSA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nncn1C ZINC001376884799 897881785 /nfs/dbraw/zinc/88/17/85/897881785.db2.gz UYFUMKRSDUDJCJ-LLVKDONJSA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001376886960 897885624 /nfs/dbraw/zinc/88/56/24/897885624.db2.gz ZYPSHZSZRHGMRI-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001376903230 897887526 /nfs/dbraw/zinc/88/75/26/897887526.db2.gz XMSAVXPEGUIDQQ-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC001376910459 897888669 /nfs/dbraw/zinc/88/86/69/897888669.db2.gz JFXZYEXCYFGGEK-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001376910459 897888678 /nfs/dbraw/zinc/88/86/78/897888678.db2.gz JFXZYEXCYFGGEK-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001376910459 897888685 /nfs/dbraw/zinc/88/86/85/897888685.db2.gz JFXZYEXCYFGGEK-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001376910870 897892293 /nfs/dbraw/zinc/89/22/93/897892293.db2.gz OWMOKEDGPJWZRD-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001376910870 897892296 /nfs/dbraw/zinc/89/22/96/897892296.db2.gz OWMOKEDGPJWZRD-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001376910870 897892306 /nfs/dbraw/zinc/89/23/06/897892306.db2.gz OWMOKEDGPJWZRD-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@@H+](C)[C@H](C)C(N)=O ZINC001376953728 897901343 /nfs/dbraw/zinc/90/13/43/897901343.db2.gz OOBZMZZWZFWNPH-GFCCVEGCSA-N 2 1 295.387 -0.154 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@H+](C)[C@H](C)C(N)=O ZINC001376953728 897901351 /nfs/dbraw/zinc/90/13/51/897901351.db2.gz OOBZMZZWZFWNPH-GFCCVEGCSA-N 2 1 295.387 -0.154 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001376971435 897904602 /nfs/dbraw/zinc/90/46/02/897904602.db2.gz KPOXJMAUFMCRCJ-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001377009432 897910540 /nfs/dbraw/zinc/91/05/40/897910540.db2.gz FEAJCDRTZGMLQT-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(N)=O ZINC001377037546 897916814 /nfs/dbraw/zinc/91/68/14/897916814.db2.gz SKSZKJPGAXDTGI-SNVBAGLBSA-N 2 1 270.377 -0.560 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001377114396 897931407 /nfs/dbraw/zinc/93/14/07/897931407.db2.gz VTTSJCMWXWLERS-RYUDHWBXSA-N 2 1 286.420 -0.055 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001377108251 897931978 /nfs/dbraw/zinc/93/19/78/897931978.db2.gz LGHPFKJSGJSYMI-JQWIXIFHSA-N 2 1 293.371 -0.436 20 0 CBADMP CN1CCC[C@@H]([N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001377133024 897939653 /nfs/dbraw/zinc/93/96/53/897939653.db2.gz UZZOOGBAJPRBPY-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CCC[C@@H]([N@@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001377133024 897939657 /nfs/dbraw/zinc/93/96/57/897939657.db2.gz UZZOOGBAJPRBPY-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CCC[C@@H]([NH+](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001377133024 897939664 /nfs/dbraw/zinc/93/96/64/897939664.db2.gz UZZOOGBAJPRBPY-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CCC[C@@H]([NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001377133024 897939669 /nfs/dbraw/zinc/93/96/69/897939669.db2.gz UZZOOGBAJPRBPY-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001377177515 897960845 /nfs/dbraw/zinc/96/08/45/897960845.db2.gz SKVDLRIIASBYFS-AWEZNQCLSA-N 2 1 296.371 -0.873 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001377178650 897960878 /nfs/dbraw/zinc/96/08/78/897960878.db2.gz VYBAMHKETNJQEE-CQSZACIVSA-N 2 1 287.404 -0.738 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001377273864 897993723 /nfs/dbraw/zinc/99/37/23/897993723.db2.gz KWDRWMQRFBYGEO-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)CCN1CCCC1=O ZINC001377276430 897994405 /nfs/dbraw/zinc/99/44/05/897994405.db2.gz SYKDAXGDLHHFQA-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)CCN1CCCC1=O ZINC001377276430 897994418 /nfs/dbraw/zinc/99/44/18/897994418.db2.gz SYKDAXGDLHHFQA-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)CCN1CCCC1=O ZINC001377276430 897994427 /nfs/dbraw/zinc/99/44/27/897994427.db2.gz SYKDAXGDLHHFQA-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001377268039 897994686 /nfs/dbraw/zinc/99/46/86/897994686.db2.gz ZUHAWOSZRYWJNH-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001377268039 897994692 /nfs/dbraw/zinc/99/46/92/897994692.db2.gz ZUHAWOSZRYWJNH-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC001377281707 897998752 /nfs/dbraw/zinc/99/87/52/897998752.db2.gz TZCHSSKGOFXQCR-YPMHNXCESA-N 2 1 294.403 -0.297 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)[C@H](C)C1 ZINC001377376639 898023678 /nfs/dbraw/zinc/02/36/78/898023678.db2.gz FOZKYKBPZKOBFB-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)[C@H](C)C1 ZINC001377376639 898023691 /nfs/dbraw/zinc/02/36/91/898023691.db2.gz FOZKYKBPZKOBFB-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC001377376639 898023702 /nfs/dbraw/zinc/02/37/02/898023702.db2.gz FOZKYKBPZKOBFB-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC001377376639 898023716 /nfs/dbraw/zinc/02/37/16/898023716.db2.gz FOZKYKBPZKOBFB-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)CCn1cncn1 ZINC001377365366 898026470 /nfs/dbraw/zinc/02/64/70/898026470.db2.gz NEYLAYNJLIUHNC-UHFFFAOYSA-N 2 1 294.403 -0.188 20 0 CBADMP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CC(N)=O ZINC001377498496 898066412 /nfs/dbraw/zinc/06/64/12/898066412.db2.gz SFMIXGHRTDPDSS-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CC(N)=O ZINC001377498496 898066418 /nfs/dbraw/zinc/06/64/18/898066418.db2.gz SFMIXGHRTDPDSS-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)CC(N)=O ZINC001377498496 898066424 /nfs/dbraw/zinc/06/64/24/898066424.db2.gz SFMIXGHRTDPDSS-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)CC(N)=O ZINC001377498496 898066436 /nfs/dbraw/zinc/06/64/36/898066436.db2.gz SFMIXGHRTDPDSS-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[N@@H+](CCNC(=O)C[NH+]1CCCC1)[C@H]1CCNC1=O ZINC001377510832 898072825 /nfs/dbraw/zinc/07/28/25/898072825.db2.gz PXBSEGGZZZTQJU-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001377574575 898091500 /nfs/dbraw/zinc/09/15/00/898091500.db2.gz CKACOYLQLBDBDH-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001377596366 898101318 /nfs/dbraw/zinc/10/13/18/898101318.db2.gz HLDAKVSQTARHJQ-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001377596367 898102003 /nfs/dbraw/zinc/10/20/03/898102003.db2.gz HLDAKVSQTARHJQ-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001377596364 898102608 /nfs/dbraw/zinc/10/26/08/898102608.db2.gz HLDAKVSQTARHJQ-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001377717982 898120597 /nfs/dbraw/zinc/12/05/97/898120597.db2.gz VSWRVRJQNBKVNN-WXRRBKDZSA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001377804780 898140877 /nfs/dbraw/zinc/14/08/77/898140877.db2.gz AHMIECHBSGMKOT-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001377979137 898185533 /nfs/dbraw/zinc/18/55/33/898185533.db2.gz QEMGQOVYAVUXKC-KBPBESRZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001378074061 898221071 /nfs/dbraw/zinc/22/10/71/898221071.db2.gz LBOFKHXIRGEYFG-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001378074061 898221034 /nfs/dbraw/zinc/22/10/34/898221034.db2.gz LBOFKHXIRGEYFG-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001378074061 898221048 /nfs/dbraw/zinc/22/10/48/898221048.db2.gz LBOFKHXIRGEYFG-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001378074061 898221058 /nfs/dbraw/zinc/22/10/58/898221058.db2.gz LBOFKHXIRGEYFG-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001378081409 898227310 /nfs/dbraw/zinc/22/73/10/898227310.db2.gz RNKYWSPMZMLAPU-MELADBBJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001378081409 898227322 /nfs/dbraw/zinc/22/73/22/898227322.db2.gz RNKYWSPMZMLAPU-MELADBBJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001378081409 898227335 /nfs/dbraw/zinc/22/73/35/898227335.db2.gz RNKYWSPMZMLAPU-MELADBBJSA-N 2 1 299.415 -0.474 20 0 CBADMP CNC(=O)CN(C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001378141062 898250478 /nfs/dbraw/zinc/25/04/78/898250478.db2.gz MLRGISMTCOLUCV-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001378141062 898250495 /nfs/dbraw/zinc/25/04/95/898250495.db2.gz MLRGISMTCOLUCV-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001378141062 898250512 /nfs/dbraw/zinc/25/05/12/898250512.db2.gz MLRGISMTCOLUCV-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001378141062 898250545 /nfs/dbraw/zinc/25/05/45/898250545.db2.gz MLRGISMTCOLUCV-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cnnn2C)C1 ZINC001378141691 898252375 /nfs/dbraw/zinc/25/23/75/898252375.db2.gz RZOHSFGNPWYKAY-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001378178719 898264610 /nfs/dbraw/zinc/26/46/10/898264610.db2.gz APSVCPKHWQQONN-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001378178719 898264625 /nfs/dbraw/zinc/26/46/25/898264625.db2.gz APSVCPKHWQQONN-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001378178719 898264639 /nfs/dbraw/zinc/26/46/39/898264639.db2.gz APSVCPKHWQQONN-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001378178719 898264656 /nfs/dbraw/zinc/26/46/56/898264656.db2.gz APSVCPKHWQQONN-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001378209975 898275932 /nfs/dbraw/zinc/27/59/32/898275932.db2.gz YJCJGRDHNSPMFZ-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001378209975 898275947 /nfs/dbraw/zinc/27/59/47/898275947.db2.gz YJCJGRDHNSPMFZ-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@H](C)C(N)=O ZINC001378336614 898317155 /nfs/dbraw/zinc/31/71/55/898317155.db2.gz HXWZWMBBUCTCGY-GHMZBOCLSA-N 2 1 272.393 -0.315 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(N)=O ZINC001378512342 898341689 /nfs/dbraw/zinc/34/16/89/898341689.db2.gz MNZFEJQVSFNLTF-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001378580080 898359036 /nfs/dbraw/zinc/35/90/36/898359036.db2.gz VNRDAXGPOUTJME-WCQYABFASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001378580080 898359051 /nfs/dbraw/zinc/35/90/51/898359051.db2.gz VNRDAXGPOUTJME-WCQYABFASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001378580077 898360703 /nfs/dbraw/zinc/36/07/03/898360703.db2.gz VNRDAXGPOUTJME-AAEUAGOBSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001378580077 898360717 /nfs/dbraw/zinc/36/07/17/898360717.db2.gz VNRDAXGPOUTJME-AAEUAGOBSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001378619385 898369136 /nfs/dbraw/zinc/36/91/36/898369136.db2.gz VICNQNRRKITCQI-MNOVXSKESA-N 2 1 295.387 -0.324 20 0 CBADMP 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 898402819 /nfs/dbraw/zinc/40/28/19/898402819.db2.gz RIZOBNVEASRJMX-ZDEQEGDKSA-N 2 1 296.415 -0.506 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001378755019 898402823 /nfs/dbraw/zinc/40/28/23/898402823.db2.gz RIZOBNVEASRJMX-ZDEQEGDKSA-N 2 1 296.415 -0.506 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001378755019 898402828 /nfs/dbraw/zinc/40/28/28/898402828.db2.gz RIZOBNVEASRJMX-ZDEQEGDKSA-N 2 1 296.415 -0.506 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001378780249 898408612 /nfs/dbraw/zinc/40/86/12/898408612.db2.gz AMSQXCRUEWRKCG-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001378779561 898409291 /nfs/dbraw/zinc/40/92/91/898409291.db2.gz XCRZFOIIONZYGC-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP COC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001378828190 898418902 /nfs/dbraw/zinc/41/89/02/898418902.db2.gz IOBIJBXVUZXJSN-SYQHCUMBSA-N 2 1 299.415 -0.164 20 0 CBADMP COC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001378828190 898418907 /nfs/dbraw/zinc/41/89/07/898418907.db2.gz IOBIJBXVUZXJSN-SYQHCUMBSA-N 2 1 299.415 -0.164 20 0 CBADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001378841681 898423394 /nfs/dbraw/zinc/42/33/94/898423394.db2.gz QHMJHKSYRRCBGW-LPWJVIDDSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001379036396 898448584 /nfs/dbraw/zinc/44/85/84/898448584.db2.gz VQRFFFIMRIYTRB-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001379036396 898448590 /nfs/dbraw/zinc/44/85/90/898448590.db2.gz VQRFFFIMRIYTRB-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379036396 898448595 /nfs/dbraw/zinc/44/85/95/898448595.db2.gz VQRFFFIMRIYTRB-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379036396 898448602 /nfs/dbraw/zinc/44/86/02/898448602.db2.gz VQRFFFIMRIYTRB-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP C[NH+](C)CCC(=O)NCC1(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001379088191 898461203 /nfs/dbraw/zinc/46/12/03/898461203.db2.gz WGEJJPVMVJELAJ-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)C ZINC001379136653 898474446 /nfs/dbraw/zinc/47/44/46/898474446.db2.gz ZQXLGCKMSAOGSV-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001379134327 898474848 /nfs/dbraw/zinc/47/48/48/898474848.db2.gz JFCOEEBOPHQNMQ-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001379193897 898498577 /nfs/dbraw/zinc/49/85/77/898498577.db2.gz KBVBYNHFXBCFGB-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001379285155 898536204 /nfs/dbraw/zinc/53/62/04/898536204.db2.gz NSXOHESBRNSZGP-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001379328520 898552488 /nfs/dbraw/zinc/55/24/88/898552488.db2.gz ZHSHJSKSPCBUSF-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001379332391 898557057 /nfs/dbraw/zinc/55/70/57/898557057.db2.gz ZXSVKZKVAWHDJO-UWVGGRQHSA-N 2 1 281.360 -0.498 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cccn1 ZINC001379375613 898589756 /nfs/dbraw/zinc/58/97/56/898589756.db2.gz VPJRAFKHAOTVGX-STQMWFEESA-N 2 1 295.387 -0.956 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001379433434 898614738 /nfs/dbraw/zinc/61/47/38/898614738.db2.gz IHYGRFNMYYJKDP-SNVBAGLBSA-N 2 1 281.360 -0.414 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379458662 898621311 /nfs/dbraw/zinc/62/13/11/898621311.db2.gz HNPIFGAUDJHTBX-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379458662 898621317 /nfs/dbraw/zinc/62/13/17/898621317.db2.gz HNPIFGAUDJHTBX-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]C[C@H](C)O ZINC001379479312 898633032 /nfs/dbraw/zinc/63/30/32/898633032.db2.gz BXRLTSCHYBZIOP-RYUDHWBXSA-N 2 1 298.387 -0.546 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC2CCC2)C1 ZINC001379528537 898658053 /nfs/dbraw/zinc/65/80/53/898658053.db2.gz YDVKNTJKOZGQFC-ZIAGYGMSSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC2CCC2)C1 ZINC001379528537 898658060 /nfs/dbraw/zinc/65/80/60/898658060.db2.gz YDVKNTJKOZGQFC-ZIAGYGMSSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379583982 898672129 /nfs/dbraw/zinc/67/21/29/898672129.db2.gz ZZYBDNNGFBNFHK-RYUDHWBXSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001379639817 898688897 /nfs/dbraw/zinc/68/88/97/898688897.db2.gz LLEUZPCSYKFCAP-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001379639817 898688906 /nfs/dbraw/zinc/68/89/06/898688906.db2.gz LLEUZPCSYKFCAP-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001379639817 898688910 /nfs/dbraw/zinc/68/89/10/898688910.db2.gz LLEUZPCSYKFCAP-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001379639817 898688920 /nfs/dbraw/zinc/68/89/20/898688920.db2.gz LLEUZPCSYKFCAP-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001379640352 898690546 /nfs/dbraw/zinc/69/05/46/898690546.db2.gz LLEUZPCSYKFCAP-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCC[NH+]1C ZINC001379640352 898690532 /nfs/dbraw/zinc/69/05/32/898690532.db2.gz LLEUZPCSYKFCAP-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCC[NH+]1C ZINC001379640352 898690540 /nfs/dbraw/zinc/69/05/40/898690540.db2.gz LLEUZPCSYKFCAP-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001379640352 898690555 /nfs/dbraw/zinc/69/05/55/898690555.db2.gz LLEUZPCSYKFCAP-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379722645 898706641 /nfs/dbraw/zinc/70/66/41/898706641.db2.gz ILDBYXLDKWMFKR-GHMZBOCLSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379722645 898706650 /nfs/dbraw/zinc/70/66/50/898706650.db2.gz ILDBYXLDKWMFKR-GHMZBOCLSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)C[NH+](C)CC(C)(C)C ZINC001379737343 898710764 /nfs/dbraw/zinc/71/07/64/898710764.db2.gz FVEVHYLAOSIYHM-LLVKDONJSA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)C[NH+](C)CC(C)(C)C ZINC001379737343 898710771 /nfs/dbraw/zinc/71/07/71/898710771.db2.gz FVEVHYLAOSIYHM-LLVKDONJSA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001379737343 898710777 /nfs/dbraw/zinc/71/07/77/898710777.db2.gz FVEVHYLAOSIYHM-LLVKDONJSA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001379737343 898710784 /nfs/dbraw/zinc/71/07/84/898710784.db2.gz FVEVHYLAOSIYHM-LLVKDONJSA-N 2 1 286.420 -0.114 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001379735977 898711679 /nfs/dbraw/zinc/71/16/79/898711679.db2.gz UKOZNCYPVUSFMS-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001379743644 898716139 /nfs/dbraw/zinc/71/61/39/898716139.db2.gz QGXVBDSYMVYZGK-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001379743643 898717873 /nfs/dbraw/zinc/71/78/73/898717873.db2.gz QGXVBDSYMVYZGK-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[N@@H+](C)CCO)NC(=O)COC1CC[NH+](C)CC1 ZINC001379770290 898723843 /nfs/dbraw/zinc/72/38/43/898723843.db2.gz UJZBZAAOSNBLHN-LBPRGKRZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001379787079 898728758 /nfs/dbraw/zinc/72/87/58/898728758.db2.gz UPKRHIZYQQOWJH-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001379787079 898728766 /nfs/dbraw/zinc/72/87/66/898728766.db2.gz UPKRHIZYQQOWJH-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001380081177 898802603 /nfs/dbraw/zinc/80/26/03/898802603.db2.gz CPEPOUNSLBZCNA-LBPRGKRZSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(N)=O ZINC001380081793 898804633 /nfs/dbraw/zinc/80/46/33/898804633.db2.gz UPFAXZYLJYBQES-IJLUTSLNSA-N 2 1 296.415 -0.171 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001380099284 898808162 /nfs/dbraw/zinc/80/81/62/898808162.db2.gz CMFSGFKSAKZFBZ-LLVKDONJSA-N 2 1 296.415 -0.156 20 0 CBADMP COC[C@H](O)C[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001380244410 898838945 /nfs/dbraw/zinc/83/89/45/898838945.db2.gz YQTKVRMBHHIYRG-CYBMUJFWSA-N 2 1 287.404 -0.522 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001380289368 898852250 /nfs/dbraw/zinc/85/22/50/898852250.db2.gz JMIHUCJVZBRERE-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380353358 898860775 /nfs/dbraw/zinc/86/07/75/898860775.db2.gz HXSCIYWDDYUWHD-HNNXBMFYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380353358 898860796 /nfs/dbraw/zinc/86/07/96/898860796.db2.gz HXSCIYWDDYUWHD-HNNXBMFYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001380375764 898871179 /nfs/dbraw/zinc/87/11/79/898871179.db2.gz GIVWKEBBLLVKDU-RISCZKNCSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001380375764 898871191 /nfs/dbraw/zinc/87/11/91/898871191.db2.gz GIVWKEBBLLVKDU-RISCZKNCSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001380375764 898871200 /nfs/dbraw/zinc/87/12/00/898871200.db2.gz GIVWKEBBLLVKDU-RISCZKNCSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001380375764 898871210 /nfs/dbraw/zinc/87/12/10/898871210.db2.gz GIVWKEBBLLVKDU-RISCZKNCSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001380375766 898871893 /nfs/dbraw/zinc/87/18/93/898871893.db2.gz GIVWKEBBLLVKDU-SMDDNHRTSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001380375766 898871901 /nfs/dbraw/zinc/87/19/01/898871901.db2.gz GIVWKEBBLLVKDU-SMDDNHRTSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001380375766 898871908 /nfs/dbraw/zinc/87/19/08/898871908.db2.gz GIVWKEBBLLVKDU-SMDDNHRTSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001380375766 898871916 /nfs/dbraw/zinc/87/19/16/898871916.db2.gz GIVWKEBBLLVKDU-SMDDNHRTSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CCF)C1)[NH+](C)C ZINC001380555570 898898356 /nfs/dbraw/zinc/89/83/56/898898356.db2.gz FNLMASCYNVQDCJ-WCQYABFASA-N 2 1 275.368 -0.151 20 0 CBADMP CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCF)C1)[NH+](C)C ZINC001380555570 898898359 /nfs/dbraw/zinc/89/83/59/898898359.db2.gz FNLMASCYNVQDCJ-WCQYABFASA-N 2 1 275.368 -0.151 20 0 CBADMP CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1)[NH+](C)C ZINC001380566562 898902769 /nfs/dbraw/zinc/90/27/69/898902769.db2.gz QLJFDXGFUYTPFY-OCCSQVGLSA-N 2 1 287.404 -0.738 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001380572410 898903314 /nfs/dbraw/zinc/90/33/14/898903314.db2.gz MIBOCWOVFWARQT-OCCSQVGLSA-N 2 1 285.388 -0.863 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001380572410 898903327 /nfs/dbraw/zinc/90/33/27/898903327.db2.gz MIBOCWOVFWARQT-OCCSQVGLSA-N 2 1 285.388 -0.863 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380572410 898903330 /nfs/dbraw/zinc/90/33/30/898903330.db2.gz MIBOCWOVFWARQT-OCCSQVGLSA-N 2 1 285.388 -0.863 20 0 CBADMP COCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001380741030 898945267 /nfs/dbraw/zinc/94/52/67/898945267.db2.gz MIXQZTRZDYRLPJ-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001380741030 898945277 /nfs/dbraw/zinc/94/52/77/898945277.db2.gz MIXQZTRZDYRLPJ-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001380741030 898945283 /nfs/dbraw/zinc/94/52/83/898945283.db2.gz MIXQZTRZDYRLPJ-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001380741030 898945285 /nfs/dbraw/zinc/94/52/85/898945285.db2.gz MIXQZTRZDYRLPJ-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)CC1 ZINC001380740775 898945454 /nfs/dbraw/zinc/94/54/54/898945454.db2.gz BPJWETDVFWOBCO-OAHLLOKOSA-N 2 1 299.415 -0.736 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC(N)=O)CC2)C1 ZINC001380799587 898953143 /nfs/dbraw/zinc/95/31/43/898953143.db2.gz PSKSKTQMGXHJHM-AVGNSLFASA-N 2 1 296.415 -0.312 20 0 CBADMP CC[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001381148118 899006869 /nfs/dbraw/zinc/00/68/69/899006869.db2.gz WIZIBBSSFCPXAH-GFCCVEGCSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001381148118 899006882 /nfs/dbraw/zinc/00/68/82/899006882.db2.gz WIZIBBSSFCPXAH-GFCCVEGCSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O ZINC001381301014 899025672 /nfs/dbraw/zinc/02/56/72/899025672.db2.gz PCWIMORBDGCDDF-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O ZINC001381301014 899025678 /nfs/dbraw/zinc/02/56/78/899025678.db2.gz PCWIMORBDGCDDF-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001381449134 899055601 /nfs/dbraw/zinc/05/56/01/899055601.db2.gz XYHRIGJBJUZEJF-WDEREUQCSA-N 2 1 297.407 -0.465 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001381449134 899055620 /nfs/dbraw/zinc/05/56/20/899055620.db2.gz XYHRIGJBJUZEJF-WDEREUQCSA-N 2 1 297.407 -0.465 20 0 CBADMP CC[N@@H+]1CC[C@@H]1C(=O)NCC[NH+](C)CCOCCO ZINC001455180768 914311886 /nfs/dbraw/zinc/31/18/86/914311886.db2.gz WXPHQQMJFJKAAG-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@H+]1CC[C@@H]1C(=O)NCC[NH+](C)CCOCCO ZINC001455180768 914311904 /nfs/dbraw/zinc/31/19/04/914311904.db2.gz WXPHQQMJFJKAAG-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[NH+]1CC[C@@H]1C(=O)NCC[N@H+](C)CCOCCO ZINC001455180768 914311918 /nfs/dbraw/zinc/31/19/18/914311918.db2.gz WXPHQQMJFJKAAG-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[NH+]1CC[C@@H]1C(=O)NCC[N@@H+](C)CCOCCO ZINC001455180768 914311933 /nfs/dbraw/zinc/31/19/33/914311933.db2.gz WXPHQQMJFJKAAG-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP COCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001381509960 899073740 /nfs/dbraw/zinc/07/37/40/899073740.db2.gz TWTNBEDPHGVMSX-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001381509960 899073755 /nfs/dbraw/zinc/07/37/55/899073755.db2.gz TWTNBEDPHGVMSX-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001381509960 899073771 /nfs/dbraw/zinc/07/37/71/899073771.db2.gz TWTNBEDPHGVMSX-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001381509960 899073788 /nfs/dbraw/zinc/07/37/88/899073788.db2.gz TWTNBEDPHGVMSX-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)CC(N)=O ZINC001381536541 899081521 /nfs/dbraw/zinc/08/15/21/899081521.db2.gz VLCMZLCRSSOQBH-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)CC(N)=O ZINC001381536541 899081535 /nfs/dbraw/zinc/08/15/35/899081535.db2.gz VLCMZLCRSSOQBH-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CCn1cncn1 ZINC001381624912 899097219 /nfs/dbraw/zinc/09/72/19/899097219.db2.gz YSXFVAKJBDJLJI-OLZOCXBDSA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CCn1cncn1 ZINC001381624912 899097239 /nfs/dbraw/zinc/09/72/39/899097239.db2.gz YSXFVAKJBDJLJI-OLZOCXBDSA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CCn1cncn1 ZINC001381624912 899097256 /nfs/dbraw/zinc/09/72/56/899097256.db2.gz YSXFVAKJBDJLJI-OLZOCXBDSA-N 2 1 294.403 -0.334 20 0 CBADMP CNC(=O)C[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001382051348 899145861 /nfs/dbraw/zinc/14/58/61/899145861.db2.gz TXSHAZSBADIAJP-QWHCGFSZSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001382051024 899147780 /nfs/dbraw/zinc/14/77/80/899147780.db2.gz NQYXRBULVJWLNF-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001382102115 899156685 /nfs/dbraw/zinc/15/66/85/899156685.db2.gz OKJLRHPYGPMPIB-LLVKDONJSA-N 2 1 295.387 -0.284 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C1CC[NH+](C)CC1 ZINC001382467489 899305498 /nfs/dbraw/zinc/30/54/98/899305498.db2.gz ODUNRJOHHRMOFC-ZDUSSCGKSA-N 2 1 287.404 -0.928 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001385614665 899584942 /nfs/dbraw/zinc/58/49/42/899584942.db2.gz ZJZUHHBXGHQUOL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001386478204 899668388 /nfs/dbraw/zinc/66/83/88/899668388.db2.gz KTEXWHVOVHIMKM-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC001386829907 899717798 /nfs/dbraw/zinc/71/77/98/899717798.db2.gz UKNTWIHAKJJHAE-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001386892633 899727278 /nfs/dbraw/zinc/72/72/78/899727278.db2.gz ZXRULFMEBDNSRC-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001386892633 899727281 /nfs/dbraw/zinc/72/72/81/899727281.db2.gz ZXRULFMEBDNSRC-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001386892633 899727292 /nfs/dbraw/zinc/72/72/92/899727292.db2.gz ZXRULFMEBDNSRC-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1C ZINC001387094017 899760292 /nfs/dbraw/zinc/76/02/92/899760292.db2.gz MKBJPQCQJSAJRX-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001387787520 899829087 /nfs/dbraw/zinc/82/90/87/899829087.db2.gz NPYBFNAYNTZTHE-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001387826328 899837095 /nfs/dbraw/zinc/83/70/95/899837095.db2.gz ZESZHMODQSUMKG-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001387826328 899837105 /nfs/dbraw/zinc/83/71/05/899837105.db2.gz ZESZHMODQSUMKG-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001387826328 899837113 /nfs/dbraw/zinc/83/71/13/899837113.db2.gz ZESZHMODQSUMKG-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001387826329 899837545 /nfs/dbraw/zinc/83/75/45/899837545.db2.gz ZESZHMODQSUMKG-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001387826329 899837547 /nfs/dbraw/zinc/83/75/47/899837547.db2.gz ZESZHMODQSUMKG-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001387826329 899837551 /nfs/dbraw/zinc/83/75/51/899837551.db2.gz ZESZHMODQSUMKG-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001388645820 899894406 /nfs/dbraw/zinc/89/44/06/899894406.db2.gz IJWMSOHGLINYSF-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001388645820 899894416 /nfs/dbraw/zinc/89/44/16/899894416.db2.gz IJWMSOHGLINYSF-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001388645830 899895396 /nfs/dbraw/zinc/89/53/96/899895396.db2.gz IJWMSOHGLINYSF-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001388645830 899895400 /nfs/dbraw/zinc/89/54/00/899895400.db2.gz IJWMSOHGLINYSF-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001388696431 899901676 /nfs/dbraw/zinc/90/16/76/899901676.db2.gz CMTUPHCMXPKOPS-FRRDWIJNSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001388690461 899901759 /nfs/dbraw/zinc/90/17/59/899901759.db2.gz SFBIFYOTBUJSOE-FVCCEPFGSA-N 2 1 296.415 -0.301 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001388740519 899906604 /nfs/dbraw/zinc/90/66/04/899906604.db2.gz MATFBGWYRMOCCN-SYQHCUMBSA-N 2 1 299.415 -0.570 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001388740522 899908027 /nfs/dbraw/zinc/90/80/27/899908027.db2.gz MATFBGWYRMOCCN-XDQVBPFNSA-N 2 1 299.415 -0.570 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001388784194 899912008 /nfs/dbraw/zinc/91/20/08/899912008.db2.gz BCVWLPLXOICAGJ-NEPJUHHUSA-N 2 1 282.388 -0.796 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001389373550 900002558 /nfs/dbraw/zinc/00/25/58/900002558.db2.gz LSIQPWADGMDOEQ-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001389419844 900008593 /nfs/dbraw/zinc/00/85/93/900008593.db2.gz BSCLTNRZPIIYJK-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001389492821 900028672 /nfs/dbraw/zinc/02/86/72/900028672.db2.gz AOTCYPIJJIOLNW-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001389492821 900028680 /nfs/dbraw/zinc/02/86/80/900028680.db2.gz AOTCYPIJJIOLNW-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001389492821 900028688 /nfs/dbraw/zinc/02/86/88/900028688.db2.gz AOTCYPIJJIOLNW-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001389492821 900028696 /nfs/dbraw/zinc/02/86/96/900028696.db2.gz AOTCYPIJJIOLNW-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)CC[N@H+]1C ZINC001389618537 900048974 /nfs/dbraw/zinc/04/89/74/900048974.db2.gz WFOYEZAFXXFESZ-RWMBFGLXSA-N 2 1 296.415 -0.314 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001389785132 900071790 /nfs/dbraw/zinc/07/17/90/900071790.db2.gz YGUFRMFLEUBYDW-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001389861093 900086372 /nfs/dbraw/zinc/08/63/72/900086372.db2.gz NAQYBJDFHRRVOW-GMTAPVOTSA-N 2 1 282.388 -0.419 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001389952471 900097516 /nfs/dbraw/zinc/09/75/16/900097516.db2.gz AXDCRCSZNVAYQC-GRYCIOLGSA-N 2 1 282.388 -0.417 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@@H+](CC(N)=O)CC[C@@H]21 ZINC001389949776 900098961 /nfs/dbraw/zinc/09/89/61/900098961.db2.gz JALKOAZRMQKAPP-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001390306310 900131052 /nfs/dbraw/zinc/13/10/52/900131052.db2.gz JHKYTRWDSWKBCT-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001390306326 900132411 /nfs/dbraw/zinc/13/24/11/900132411.db2.gz JHKYTRWDSWKBCT-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001390457621 900164059 /nfs/dbraw/zinc/16/40/59/900164059.db2.gz INBCFWYZXQGHTD-CMPLNLGQSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001390457621 900164065 /nfs/dbraw/zinc/16/40/65/900164065.db2.gz INBCFWYZXQGHTD-CMPLNLGQSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001390487712 900173827 /nfs/dbraw/zinc/17/38/27/900173827.db2.gz XYQVZBFCKFMWHY-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001390487712 900173832 /nfs/dbraw/zinc/17/38/32/900173832.db2.gz XYQVZBFCKFMWHY-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001390514522 900179227 /nfs/dbraw/zinc/17/92/27/900179227.db2.gz USNWPUQQPHYANG-VHSXEESVSA-N 2 1 283.380 -0.855 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001390514518 900179818 /nfs/dbraw/zinc/17/98/18/900179818.db2.gz USNWPUQQPHYANG-NXEZZACHSA-N 2 1 283.380 -0.855 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C ZINC001390510514 900180738 /nfs/dbraw/zinc/18/07/38/900180738.db2.gz QHSILMHKLFQWHQ-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C ZINC001390510514 900180746 /nfs/dbraw/zinc/18/07/46/900180746.db2.gz QHSILMHKLFQWHQ-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC1CC1 ZINC001390522592 900181375 /nfs/dbraw/zinc/18/13/75/900181375.db2.gz RWHGUZNHGRCLPF-YPMHNXCESA-N 2 1 296.415 -0.441 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001390538774 900183094 /nfs/dbraw/zinc/18/30/94/900183094.db2.gz PAFSCUSQJVVIAL-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001390595071 900193610 /nfs/dbraw/zinc/19/36/10/900193610.db2.gz QYHCEZSMJZYONW-NWDGAFQWSA-N 2 1 282.388 -0.748 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001390593230 900193827 /nfs/dbraw/zinc/19/38/27/900193827.db2.gz DYASIPIMDSRPJL-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001390601794 900197133 /nfs/dbraw/zinc/19/71/33/900197133.db2.gz CVHMLMKMROBFCJ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001390711326 900214019 /nfs/dbraw/zinc/21/40/19/900214019.db2.gz IUSLEGCVCXFRJF-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP COC[C@@H](O)C[N@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001390784500 900243562 /nfs/dbraw/zinc/24/35/62/900243562.db2.gz NJMWAQMIMLYBKP-LBPRGKRZSA-N 2 1 284.360 -0.753 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001390784500 900243576 /nfs/dbraw/zinc/24/35/76/900243576.db2.gz NJMWAQMIMLYBKP-LBPRGKRZSA-N 2 1 284.360 -0.753 20 0 CBADMP C[NH+](C)CC1(C(=O)NCC[N@H+](C)[C@H]2CCCNC2=O)CC1 ZINC001390815039 900257777 /nfs/dbraw/zinc/25/77/77/900257777.db2.gz YTIAYARRMNYXAR-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)[C@H]2CCCNC2=O)CC1 ZINC001390815039 900257787 /nfs/dbraw/zinc/25/77/87/900257787.db2.gz YTIAYARRMNYXAR-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@@H+](C)C[C@@H]1CCNC(=O)CC1 ZINC001390813390 900258256 /nfs/dbraw/zinc/25/82/56/900258256.db2.gz SRYKVKAJRINJJA-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[N@@H+](CCNC(=O)CCC[NH+](C)C)[C@@H]1CCNC1=O ZINC001390952939 900288554 /nfs/dbraw/zinc/28/85/54/900288554.db2.gz GUZZEMBBMDPWGI-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391091084 900309052 /nfs/dbraw/zinc/30/90/52/900309052.db2.gz BSVOZQJBYYPTBM-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001391114376 900315106 /nfs/dbraw/zinc/31/51/06/900315106.db2.gz TVCIGUZNNDMUDX-JSGCOSHPSA-N 2 1 298.431 -0.243 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001391108501 900315910 /nfs/dbraw/zinc/31/59/10/900315910.db2.gz HCEPYMZFZFVRAH-YPMHNXCESA-N 2 1 284.404 -0.504 20 0 CBADMP C[N@H+](CCO)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001391342452 900355535 /nfs/dbraw/zinc/35/55/35/900355535.db2.gz DOAJZTWXLCDYKX-CHWSQXEVSA-N 2 1 285.388 -0.910 20 0 CBADMP C[N@@H+](CCO)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001391342452 900355544 /nfs/dbraw/zinc/35/55/44/900355544.db2.gz DOAJZTWXLCDYKX-CHWSQXEVSA-N 2 1 285.388 -0.910 20 0 CBADMP C[NH+](CCO)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001391342452 900355552 /nfs/dbraw/zinc/35/55/52/900355552.db2.gz DOAJZTWXLCDYKX-CHWSQXEVSA-N 2 1 285.388 -0.910 20 0 CBADMP C[NH+](CCO)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001391342452 900355558 /nfs/dbraw/zinc/35/55/58/900355558.db2.gz DOAJZTWXLCDYKX-CHWSQXEVSA-N 2 1 285.388 -0.910 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[C@@H](C[N@H+](C)CC(N)=O)C2)CCC1 ZINC001391349099 900360392 /nfs/dbraw/zinc/36/03/92/900360392.db2.gz QMYMGWFTRUBJFN-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001391365098 900362157 /nfs/dbraw/zinc/36/21/57/900362157.db2.gz WJBYHORUBSVHDC-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001391380814 900367172 /nfs/dbraw/zinc/36/71/72/900367172.db2.gz PNBONKQKYKXIDA-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001391380814 900367181 /nfs/dbraw/zinc/36/71/81/900367181.db2.gz PNBONKQKYKXIDA-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)OCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001391471122 900390683 /nfs/dbraw/zinc/39/06/83/900390683.db2.gz VTCJXTHVVRIZJT-CQSZACIVSA-N 2 1 299.415 -0.210 20 0 CBADMP CC(C)OCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001391471122 900390694 /nfs/dbraw/zinc/39/06/94/900390694.db2.gz VTCJXTHVVRIZJT-CQSZACIVSA-N 2 1 299.415 -0.210 20 0 CBADMP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001391645562 900424608 /nfs/dbraw/zinc/42/46/08/900424608.db2.gz CREHKSZFRQMUPS-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391645562 900424613 /nfs/dbraw/zinc/42/46/13/900424613.db2.gz CREHKSZFRQMUPS-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001391645562 900424619 /nfs/dbraw/zinc/42/46/19/900424619.db2.gz CREHKSZFRQMUPS-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001391645562 900424625 /nfs/dbraw/zinc/42/46/25/900424625.db2.gz CREHKSZFRQMUPS-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](CC)[NH2+][C@@H]1CCNC1=O ZINC001391745565 900446168 /nfs/dbraw/zinc/44/61/68/900446168.db2.gz VWYKTRNVLUTBSA-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001391940419 900466695 /nfs/dbraw/zinc/46/66/95/900466695.db2.gz QLDRLXPFYPXMLM-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001392116228 900516465 /nfs/dbraw/zinc/51/64/65/900516465.db2.gz JJEKATSUPVNPGV-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001392125324 900519939 /nfs/dbraw/zinc/51/99/39/900519939.db2.gz WRAIJWFMKZKQAT-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001392125325 900520793 /nfs/dbraw/zinc/52/07/93/900520793.db2.gz WRAIJWFMKZKQAT-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392132301 900520295 /nfs/dbraw/zinc/52/02/95/900520295.db2.gz LFJYZAFCFZNOOE-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001392183619 900528634 /nfs/dbraw/zinc/52/86/34/900528634.db2.gz RGESINHTOSPUCC-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001392246083 900539135 /nfs/dbraw/zinc/53/91/35/900539135.db2.gz JRJCPCVEQACIAL-QWHCGFSZSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CCN(C)[C@H]2CCNC2=O)CC[N@H+]1C ZINC001392277349 900551541 /nfs/dbraw/zinc/55/15/41/900551541.db2.gz CEDBBWKTAYAYHE-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001392277349 900551552 /nfs/dbraw/zinc/55/15/52/900551552.db2.gz CEDBBWKTAYAYHE-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)[C@H]2CCNC2=O)CC[N@H+]1C ZINC001392277349 900551561 /nfs/dbraw/zinc/55/15/61/900551561.db2.gz CEDBBWKTAYAYHE-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)[C@H]2CCNC2=O)CC[NH+]1C ZINC001392277349 900551570 /nfs/dbraw/zinc/55/15/70/900551570.db2.gz CEDBBWKTAYAYHE-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)[C@H]2CCNC2=O)CC[NH+]1C ZINC001392277349 900551582 /nfs/dbraw/zinc/55/15/82/900551582.db2.gz CEDBBWKTAYAYHE-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP COCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001392275053 900553455 /nfs/dbraw/zinc/55/34/55/900553455.db2.gz WZZLISOPEUEHPV-LBPRGKRZSA-N 2 1 273.377 -0.646 20 0 CBADMP COCC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001392275053 900553468 /nfs/dbraw/zinc/55/34/68/900553468.db2.gz WZZLISOPEUEHPV-LBPRGKRZSA-N 2 1 273.377 -0.646 20 0 CBADMP COCC[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001392275053 900553474 /nfs/dbraw/zinc/55/34/74/900553474.db2.gz WZZLISOPEUEHPV-LBPRGKRZSA-N 2 1 273.377 -0.646 20 0 CBADMP COCC[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001392275053 900553488 /nfs/dbraw/zinc/55/34/88/900553488.db2.gz WZZLISOPEUEHPV-LBPRGKRZSA-N 2 1 273.377 -0.646 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)CCCO)C1 ZINC001392330474 900567224 /nfs/dbraw/zinc/56/72/24/900567224.db2.gz CICDBYUYAIAOMX-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)CCCO)C1 ZINC001392330474 900567228 /nfs/dbraw/zinc/56/72/28/900567228.db2.gz CICDBYUYAIAOMX-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)CC[N@H+](C)CCCO)C1 ZINC001392330474 900567234 /nfs/dbraw/zinc/56/72/34/900567234.db2.gz CICDBYUYAIAOMX-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)CC[N@@H+](C)CCCO)C1 ZINC001392330474 900567242 /nfs/dbraw/zinc/56/72/42/900567242.db2.gz CICDBYUYAIAOMX-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001392354405 900578364 /nfs/dbraw/zinc/57/83/64/900578364.db2.gz OTDYDWZTDXQCEH-RYUDHWBXSA-N 2 1 293.371 -0.449 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001392424848 900614190 /nfs/dbraw/zinc/61/41/90/900614190.db2.gz KLQGLZOTAPBVMH-UONOGXRCSA-N 2 1 292.383 -0.400 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001392464607 900624932 /nfs/dbraw/zinc/62/49/32/900624932.db2.gz HADDYHNTYHXKAA-MNOVXSKESA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001392464607 900624938 /nfs/dbraw/zinc/62/49/38/900624938.db2.gz HADDYHNTYHXKAA-MNOVXSKESA-N 2 1 280.376 -0.496 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001392483435 900635325 /nfs/dbraw/zinc/63/53/25/900635325.db2.gz HLLRWUCDFYMZDZ-YPMHNXCESA-N 2 1 296.419 -0.004 20 0 CBADMP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392583674 900667813 /nfs/dbraw/zinc/66/78/13/900667813.db2.gz UBPJBWMYGXFZQQ-SDDRHHMPSA-N 2 1 284.404 -0.348 20 0 CBADMP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001392597881 900670500 /nfs/dbraw/zinc/67/05/00/900670500.db2.gz RZMLGRRXCOJKNG-DCAQKATOSA-N 2 1 270.377 -0.561 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001392603195 900675497 /nfs/dbraw/zinc/67/54/97/900675497.db2.gz VSXSMHBSKZIOTD-QWRGUYRKSA-N 2 1 272.393 -0.443 20 0 CBADMP C[C@@H](C[NH+](C)[C@@H](C)C(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001392661286 900690598 /nfs/dbraw/zinc/69/05/98/900690598.db2.gz PCKQMEKDLOEZCG-QWRGUYRKSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](C[NH+](C)[C@@H](C)C(N)=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001392661286 900690604 /nfs/dbraw/zinc/69/06/04/900690604.db2.gz PCKQMEKDLOEZCG-QWRGUYRKSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)C[NH+](C)C1CCC1 ZINC001392661286 900690585 /nfs/dbraw/zinc/69/05/85/900690585.db2.gz PCKQMEKDLOEZCG-QWRGUYRKSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)C[NH+](C)C1CCC1 ZINC001392661286 900690589 /nfs/dbraw/zinc/69/05/89/900690589.db2.gz PCKQMEKDLOEZCG-QWRGUYRKSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001392682533 900699425 /nfs/dbraw/zinc/69/94/25/900699425.db2.gz FKVQOHXROIVYOL-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001392682533 900699432 /nfs/dbraw/zinc/69/94/32/900699432.db2.gz FKVQOHXROIVYOL-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001392682533 900699441 /nfs/dbraw/zinc/69/94/41/900699441.db2.gz FKVQOHXROIVYOL-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392682533 900699446 /nfs/dbraw/zinc/69/94/46/900699446.db2.gz FKVQOHXROIVYOL-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001392682534 900700307 /nfs/dbraw/zinc/70/03/07/900700307.db2.gz FKVQOHXROIVYOL-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001392682534 900700316 /nfs/dbraw/zinc/70/03/16/900700316.db2.gz FKVQOHXROIVYOL-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001392682534 900700325 /nfs/dbraw/zinc/70/03/25/900700325.db2.gz FKVQOHXROIVYOL-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392682534 900700336 /nfs/dbraw/zinc/70/03/36/900700336.db2.gz FKVQOHXROIVYOL-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001392791129 900726972 /nfs/dbraw/zinc/72/69/72/900726972.db2.gz DKNBVYBPNCMZID-WCQYABFASA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392791156 900727257 /nfs/dbraw/zinc/72/72/57/900727257.db2.gz DKSZUQXWGUGNDH-ZYHUDNBSSA-N 2 1 282.388 -0.702 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392821874 900733500 /nfs/dbraw/zinc/73/35/00/900733500.db2.gz AKBVWIKCROBLEQ-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001392937777 900766401 /nfs/dbraw/zinc/76/64/01/900766401.db2.gz CLAPSHWCMFRXIS-RYUDHWBXSA-N 2 1 294.399 -0.273 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001393084491 900789289 /nfs/dbraw/zinc/78/92/89/900789289.db2.gz ZDXAOSHTCGCEQX-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001393084491 900789295 /nfs/dbraw/zinc/78/92/95/900789295.db2.gz ZDXAOSHTCGCEQX-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001393084491 900789303 /nfs/dbraw/zinc/78/93/03/900789303.db2.gz ZDXAOSHTCGCEQX-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001393105079 900793011 /nfs/dbraw/zinc/79/30/11/900793011.db2.gz FUWWCVZEOVHIKE-JSGCOSHPSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(C)CCC[NH+](CCO)C2)C1 ZINC001393186375 900802626 /nfs/dbraw/zinc/80/26/26/900802626.db2.gz LCVCVXBXXIHVNX-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@]2(C)CCC[NH+](CCO)C2)C1 ZINC001393186375 900802633 /nfs/dbraw/zinc/80/26/33/900802633.db2.gz LCVCVXBXXIHVNX-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@]2(C)CCC[N@H+](CCO)C2)C1 ZINC001393186375 900802637 /nfs/dbraw/zinc/80/26/37/900802637.db2.gz LCVCVXBXXIHVNX-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@]2(C)CCC[N@@H+](CCO)C2)C1 ZINC001393186375 900802643 /nfs/dbraw/zinc/80/26/43/900802643.db2.gz LCVCVXBXXIHVNX-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nncn1C ZINC001393745089 900899888 /nfs/dbraw/zinc/89/98/88/900899888.db2.gz GAMBLXNHEZDIOM-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001393740703 900900352 /nfs/dbraw/zinc/90/03/52/900900352.db2.gz JACDGAHYYFMBRH-QWRGUYRKSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1ncnn1C ZINC001393751501 900903761 /nfs/dbraw/zinc/90/37/61/900903761.db2.gz RZFTVIAEPKHNOZ-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(N)=O ZINC001393990314 900946616 /nfs/dbraw/zinc/94/66/16/900946616.db2.gz UPCSDJDYROJYIC-WDEREUQCSA-N 2 1 295.387 -0.025 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001394139658 900983409 /nfs/dbraw/zinc/98/34/09/900983409.db2.gz POYZUBFQWNYQAN-NWDGAFQWSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001394139658 900983377 /nfs/dbraw/zinc/98/33/77/900983377.db2.gz POYZUBFQWNYQAN-NWDGAFQWSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001394139658 900983387 /nfs/dbraw/zinc/98/33/87/900983387.db2.gz POYZUBFQWNYQAN-NWDGAFQWSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001394139658 900983398 /nfs/dbraw/zinc/98/33/98/900983398.db2.gz POYZUBFQWNYQAN-NWDGAFQWSA-N 2 1 286.420 -0.102 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)[C@H]1CCCNC1=O ZINC001394139337 900985592 /nfs/dbraw/zinc/98/55/92/900985592.db2.gz WCKBKDCCNLVDPB-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001394262518 901004400 /nfs/dbraw/zinc/00/44/00/901004400.db2.gz KWEPYVCZEHBBEB-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001394262518 901004405 /nfs/dbraw/zinc/00/44/05/901004405.db2.gz KWEPYVCZEHBBEB-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001394262529 901004557 /nfs/dbraw/zinc/00/45/57/901004557.db2.gz KWEPYVCZEHBBEB-YPMHNXCESA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001394262529 901004563 /nfs/dbraw/zinc/00/45/63/901004563.db2.gz KWEPYVCZEHBBEB-YPMHNXCESA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001394262512 901005140 /nfs/dbraw/zinc/00/51/40/901005140.db2.gz KWEPYVCZEHBBEB-AAEUAGOBSA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001394262512 901005149 /nfs/dbraw/zinc/00/51/49/901005149.db2.gz KWEPYVCZEHBBEB-AAEUAGOBSA-N 2 1 296.415 -0.347 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCO)C1 ZINC001394331416 901013765 /nfs/dbraw/zinc/01/37/65/901013765.db2.gz PCOSMMMIYPKGSV-DGCLKSJQSA-N 2 1 296.371 -0.611 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001394348581 901016105 /nfs/dbraw/zinc/01/61/05/901016105.db2.gz WUZFJAULEKMOHA-XYYAHUGASA-N 2 1 296.415 -0.633 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001394348581 901016118 /nfs/dbraw/zinc/01/61/18/901016118.db2.gz WUZFJAULEKMOHA-XYYAHUGASA-N 2 1 296.415 -0.633 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001394348581 901016131 /nfs/dbraw/zinc/01/61/31/901016131.db2.gz WUZFJAULEKMOHA-XYYAHUGASA-N 2 1 296.415 -0.633 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001394536831 901047604 /nfs/dbraw/zinc/04/76/04/901047604.db2.gz FMPJNOFHUAXSMU-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001394552572 901047721 /nfs/dbraw/zinc/04/77/21/901047721.db2.gz IAWDOYOQRFPELG-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001394536649 901048144 /nfs/dbraw/zinc/04/81/44/901048144.db2.gz JQEWBMAXZBJOJP-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001394620960 901092954 /nfs/dbraw/zinc/09/29/54/901092954.db2.gz XZHKAJJVZCNPPU-CMPLNLGQSA-N 2 1 284.360 -0.707 20 0 CBADMP COC[C@H](C)[NH2+][C@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001394620964 901093274 /nfs/dbraw/zinc/09/32/74/901093274.db2.gz XZHKAJJVZCNPPU-JQWIXIFHSA-N 2 1 284.360 -0.707 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001394620274 901093674 /nfs/dbraw/zinc/09/36/74/901093674.db2.gz WZPRQERTEFGPNY-RYUDHWBXSA-N 2 1 284.360 -0.707 20 0 CBADMP C[C@@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)c1cnccn1 ZINC001394623398 901095746 /nfs/dbraw/zinc/09/57/46/901095746.db2.gz TVKHBYJVTOORBM-NEPJUHHUSA-N 2 1 295.387 -0.444 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CCC[NH+]1C ZINC001394772476 901149011 /nfs/dbraw/zinc/14/90/11/901149011.db2.gz XRUGMQFPTAACGS-QWHCGFSZSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001394772476 901149023 /nfs/dbraw/zinc/14/90/23/901149023.db2.gz XRUGMQFPTAACGS-QWHCGFSZSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001394772476 901149033 /nfs/dbraw/zinc/14/90/33/901149033.db2.gz XRUGMQFPTAACGS-QWHCGFSZSA-N 2 1 287.404 -0.786 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001395172255 901186379 /nfs/dbraw/zinc/18/63/79/901186379.db2.gz QILPWFIVFHLZBE-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001397261019 901382976 /nfs/dbraw/zinc/38/29/76/901382976.db2.gz WQTUEEUDRVTLPE-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001397261019 901382984 /nfs/dbraw/zinc/38/29/84/901382984.db2.gz WQTUEEUDRVTLPE-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001397603100 901435699 /nfs/dbraw/zinc/43/56/99/901435699.db2.gz KMRFBCFFTBQDRF-PHIMTYICSA-N 2 1 279.344 -0.839 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001397628173 901441662 /nfs/dbraw/zinc/44/16/62/901441662.db2.gz QWKXCPHZDIGZMC-XUXIUFHCSA-N 2 1 299.415 -0.428 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001397654266 901444741 /nfs/dbraw/zinc/44/47/41/901444741.db2.gz VOBOYPBIHBOMEZ-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001397700210 901448466 /nfs/dbraw/zinc/44/84/66/901448466.db2.gz RGVAGALFESKNQQ-SRVKXCTJSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H]2CCNC2=O)C1 ZINC001398255936 901513431 /nfs/dbraw/zinc/51/34/31/901513431.db2.gz UPDCRKXDUABRIH-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H]2CCNC2=O)C1 ZINC001398255936 901513441 /nfs/dbraw/zinc/51/34/41/901513441.db2.gz UPDCRKXDUABRIH-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001398255936 901513447 /nfs/dbraw/zinc/51/34/47/901513447.db2.gz UPDCRKXDUABRIH-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001398255936 901513457 /nfs/dbraw/zinc/51/34/57/901513457.db2.gz UPDCRKXDUABRIH-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001398301557 901522396 /nfs/dbraw/zinc/52/23/96/901522396.db2.gz RRAYCLZCYWLMBO-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001398301557 901522404 /nfs/dbraw/zinc/52/24/04/901522404.db2.gz RRAYCLZCYWLMBO-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001398301557 901522411 /nfs/dbraw/zinc/52/24/11/901522411.db2.gz RRAYCLZCYWLMBO-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001398301557 901522422 /nfs/dbraw/zinc/52/24/22/901522422.db2.gz RRAYCLZCYWLMBO-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001398374670 901530873 /nfs/dbraw/zinc/53/08/73/901530873.db2.gz HBVHJCMHCXSYLG-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001398450035 901541076 /nfs/dbraw/zinc/54/10/76/901541076.db2.gz KRJMXJYAUDKUGS-STQMWFEESA-N 2 1 296.415 -0.170 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001398469830 901544187 /nfs/dbraw/zinc/54/41/87/901544187.db2.gz RCZKGFGVLYWPLB-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001398553442 901557598 /nfs/dbraw/zinc/55/75/98/901557598.db2.gz BVBTVOMOMRHSEA-HAQNSBGRSA-N 2 1 293.371 -0.436 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001398610200 901572471 /nfs/dbraw/zinc/57/24/71/901572471.db2.gz IHLNAXFVGJWFLX-QNWHQSFQSA-N 2 1 285.388 -0.675 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)C ZINC001398920770 901630791 /nfs/dbraw/zinc/63/07/91/901630791.db2.gz LUIBOOGTSZGONU-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)C2 ZINC001399039059 901654700 /nfs/dbraw/zinc/65/47/00/901654700.db2.gz UIANLPUWLLHXQS-GXSJLCMTSA-N 2 1 293.371 -0.666 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001399097888 901665352 /nfs/dbraw/zinc/66/53/52/901665352.db2.gz MCPCQPLZKBIEPR-GHMZBOCLSA-N 2 1 297.407 -0.293 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001399097888 901665363 /nfs/dbraw/zinc/66/53/63/901665363.db2.gz MCPCQPLZKBIEPR-GHMZBOCLSA-N 2 1 297.407 -0.293 20 0 CBADMP CCn1nncc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399108888 901665552 /nfs/dbraw/zinc/66/55/52/901665552.db2.gz KHHCWLQMZHKZIO-RYUDHWBXSA-N 2 1 294.403 -0.156 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001399110314 901665791 /nfs/dbraw/zinc/66/57/91/901665791.db2.gz REENIFHFROENLF-DGCLKSJQSA-N 2 1 296.419 -0.004 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001399129712 901672360 /nfs/dbraw/zinc/67/23/60/901672360.db2.gz ZCDXCHBOQLEPEW-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001399129712 901672368 /nfs/dbraw/zinc/67/23/68/901672368.db2.gz ZCDXCHBOQLEPEW-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001399177154 901680185 /nfs/dbraw/zinc/68/01/85/901680185.db2.gz VSJCTMDQYOYPMV-MNOVXSKESA-N 2 1 270.377 -0.691 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001399428619 901711974 /nfs/dbraw/zinc/71/19/74/901711974.db2.gz MVHDSXPFNAOHNC-GHMZBOCLSA-N 2 1 295.387 -0.190 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001457347804 914558857 /nfs/dbraw/zinc/55/88/57/914558857.db2.gz XUIBTJVBHOOPOL-QWHCGFSZSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001399500860 901738311 /nfs/dbraw/zinc/73/83/11/901738311.db2.gz IAHGCXOKWFZOAO-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001399500860 901738323 /nfs/dbraw/zinc/73/83/23/901738323.db2.gz IAHGCXOKWFZOAO-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001399500860 901738336 /nfs/dbraw/zinc/73/83/36/901738336.db2.gz IAHGCXOKWFZOAO-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001399500860 901738345 /nfs/dbraw/zinc/73/83/45/901738345.db2.gz IAHGCXOKWFZOAO-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001399500863 901739242 /nfs/dbraw/zinc/73/92/42/901739242.db2.gz IAHGCXOKWFZOAO-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001399500863 901739256 /nfs/dbraw/zinc/73/92/56/901739256.db2.gz IAHGCXOKWFZOAO-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001399500863 901739265 /nfs/dbraw/zinc/73/92/65/901739265.db2.gz IAHGCXOKWFZOAO-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001399500863 901739277 /nfs/dbraw/zinc/73/92/77/901739277.db2.gz IAHGCXOKWFZOAO-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCN1CCCC1=O ZINC001399553751 901749294 /nfs/dbraw/zinc/74/92/94/901749294.db2.gz ASBJBIJNQAOWJB-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CCN1CCCC1=O ZINC001399553751 901749305 /nfs/dbraw/zinc/74/93/05/901749305.db2.gz ASBJBIJNQAOWJB-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CCN1CCCC1=O ZINC001399553751 901749318 /nfs/dbraw/zinc/74/93/18/901749318.db2.gz ASBJBIJNQAOWJB-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C(N)=O ZINC001399720149 901780233 /nfs/dbraw/zinc/78/02/33/901780233.db2.gz IBEPMRXSANHOHI-NEPJUHHUSA-N 2 1 286.420 -0.116 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C(N)=O ZINC001399720149 901780245 /nfs/dbraw/zinc/78/02/45/901780245.db2.gz IBEPMRXSANHOHI-NEPJUHHUSA-N 2 1 286.420 -0.116 20 0 CBADMP CCN(C)C(=O)C[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001399833790 901813521 /nfs/dbraw/zinc/81/35/21/901813521.db2.gz XRPGCIYXJCNGKA-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCN(C)C(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001399833790 901813530 /nfs/dbraw/zinc/81/35/30/901813530.db2.gz XRPGCIYXJCNGKA-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCN(C)C(=O)C[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399833790 901813536 /nfs/dbraw/zinc/81/35/36/901813536.db2.gz XRPGCIYXJCNGKA-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCN(C)C(=O)C[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399833790 901813547 /nfs/dbraw/zinc/81/35/47/901813547.db2.gz XRPGCIYXJCNGKA-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001399869538 901821703 /nfs/dbraw/zinc/82/17/03/901821703.db2.gz LAHZMZZLFSKXGT-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001399869538 901821709 /nfs/dbraw/zinc/82/17/09/901821709.db2.gz LAHZMZZLFSKXGT-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001399869538 901821721 /nfs/dbraw/zinc/82/17/21/901821721.db2.gz LAHZMZZLFSKXGT-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001399869538 901821731 /nfs/dbraw/zinc/82/17/31/901821731.db2.gz LAHZMZZLFSKXGT-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001399922085 901835009 /nfs/dbraw/zinc/83/50/09/901835009.db2.gz DBGCNSZNVJNSIZ-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001399938509 901838265 /nfs/dbraw/zinc/83/82/65/901838265.db2.gz ZVMFWMGPDCAEID-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(N)=O ZINC001399941793 901838636 /nfs/dbraw/zinc/83/86/36/901838636.db2.gz LEHOVNQHWKQVKJ-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(N)=O ZINC001399941793 901838644 /nfs/dbraw/zinc/83/86/44/901838644.db2.gz LEHOVNQHWKQVKJ-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(N)=O ZINC001399941793 901838652 /nfs/dbraw/zinc/83/86/52/901838652.db2.gz LEHOVNQHWKQVKJ-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(N)=O ZINC001399941793 901838660 /nfs/dbraw/zinc/83/86/60/901838660.db2.gz LEHOVNQHWKQVKJ-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP COCC[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001399926888 901838864 /nfs/dbraw/zinc/83/88/64/901838864.db2.gz HJLKEZSYLQUNGG-CQSZACIVSA-N 2 1 299.415 -0.207 20 0 CBADMP COCC[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001399926888 901838870 /nfs/dbraw/zinc/83/88/70/901838870.db2.gz HJLKEZSYLQUNGG-CQSZACIVSA-N 2 1 299.415 -0.207 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399936938 901839112 /nfs/dbraw/zinc/83/91/12/901839112.db2.gz YKBNHGPQHFVPOE-RYUDHWBXSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@@H+](CC(=O)NCC[C@H]1CC[NH+](CC(N)=O)C1)C1CCC1 ZINC001400148099 901887189 /nfs/dbraw/zinc/88/71/89/901887189.db2.gz MZOUTHHDAOQTGN-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](CC(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1)C1CCC1 ZINC001400148099 901887194 /nfs/dbraw/zinc/88/71/94/901887194.db2.gz MZOUTHHDAOQTGN-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](CC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1)C1CCC1 ZINC001400148099 901887202 /nfs/dbraw/zinc/88/72/02/901887202.db2.gz MZOUTHHDAOQTGN-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H]2CCNC2=O)C1 ZINC001400296393 901912127 /nfs/dbraw/zinc/91/21/27/901912127.db2.gz JMTITNUSBNFYPO-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H]2CCNC2=O)C1 ZINC001400296393 901912133 /nfs/dbraw/zinc/91/21/33/901912133.db2.gz JMTITNUSBNFYPO-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001400296393 901912142 /nfs/dbraw/zinc/91/21/42/901912142.db2.gz JMTITNUSBNFYPO-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001400296393 901912150 /nfs/dbraw/zinc/91/21/50/901912150.db2.gz JMTITNUSBNFYPO-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001400735367 902007437 /nfs/dbraw/zinc/00/74/37/902007437.db2.gz GNDLOVLMYTWAQD-ZDUSSCGKSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001400735367 902007448 /nfs/dbraw/zinc/00/74/48/902007448.db2.gz GNDLOVLMYTWAQD-ZDUSSCGKSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001400735367 902007465 /nfs/dbraw/zinc/00/74/65/902007465.db2.gz GNDLOVLMYTWAQD-ZDUSSCGKSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001400735367 902007479 /nfs/dbraw/zinc/00/74/79/902007479.db2.gz GNDLOVLMYTWAQD-ZDUSSCGKSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C[NH2+]CC(=O)N(C)C ZINC001401128590 902060098 /nfs/dbraw/zinc/06/00/98/902060098.db2.gz KZJFHBKXGFASHE-CHWSQXEVSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]CC(N)=O ZINC001401129635 902061317 /nfs/dbraw/zinc/06/13/17/902061317.db2.gz QNMDDFKGTWSQDW-WOPDTQHZSA-N 2 1 284.404 -0.456 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001401392746 902119905 /nfs/dbraw/zinc/11/99/05/902119905.db2.gz XTCLWAJELQXWBR-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001401392746 902119912 /nfs/dbraw/zinc/11/99/12/902119912.db2.gz XTCLWAJELQXWBR-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001401391746 902120382 /nfs/dbraw/zinc/12/03/82/902120382.db2.gz UGFIDKCIQFNCKX-NSHDSACASA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001401391746 902120394 /nfs/dbraw/zinc/12/03/94/902120394.db2.gz UGFIDKCIQFNCKX-NSHDSACASA-N 2 1 284.404 -0.408 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001401388711 902120501 /nfs/dbraw/zinc/12/05/01/902120501.db2.gz QOEXVTYZGLEZNY-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001401388711 902120509 /nfs/dbraw/zinc/12/05/09/902120509.db2.gz QOEXVTYZGLEZNY-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@H]1CCN(C)C1=O ZINC001401444110 902128856 /nfs/dbraw/zinc/12/88/56/902128856.db2.gz WSLXNMNNAWAELU-ZDUSSCGKSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@H]1CCN(C)C1=O ZINC001401444110 902128863 /nfs/dbraw/zinc/12/88/63/902128863.db2.gz WSLXNMNNAWAELU-ZDUSSCGKSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001401444110 902128871 /nfs/dbraw/zinc/12/88/71/902128871.db2.gz WSLXNMNNAWAELU-ZDUSSCGKSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001401444110 902128876 /nfs/dbraw/zinc/12/88/76/902128876.db2.gz WSLXNMNNAWAELU-ZDUSSCGKSA-N 2 1 298.431 -0.053 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401598928 902182873 /nfs/dbraw/zinc/18/28/73/902182873.db2.gz CNBZRMUBMQOHKS-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401598038 902183110 /nfs/dbraw/zinc/18/31/10/902183110.db2.gz CNBZRMUBMQOHKS-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+][C@H](C)C(N)=O ZINC001401605479 902185464 /nfs/dbraw/zinc/18/54/64/902185464.db2.gz PSVNRCMXERXYHR-GHMZBOCLSA-N 2 1 272.393 -0.315 20 0 CBADMP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401607726 902186323 /nfs/dbraw/zinc/18/63/23/902186323.db2.gz HCIPOWZRGMTKNO-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001401611948 902188583 /nfs/dbraw/zinc/18/85/83/902188583.db2.gz UKVIBKHASWMSKE-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](CNCc1nncn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001401620639 902197628 /nfs/dbraw/zinc/19/76/28/902197628.db2.gz XVAWSDWWNRWNMJ-IJLUTSLNSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001401620639 902197632 /nfs/dbraw/zinc/19/76/32/902197632.db2.gz XVAWSDWWNRWNMJ-IJLUTSLNSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001401620639 902197637 /nfs/dbraw/zinc/19/76/37/902197637.db2.gz XVAWSDWWNRWNMJ-IJLUTSLNSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001401630094 902201337 /nfs/dbraw/zinc/20/13/37/902201337.db2.gz AZPILDHLBFCGRC-YPMHNXCESA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401637749 902204385 /nfs/dbraw/zinc/20/43/85/902204385.db2.gz HZSJUWDTCALZNU-LLVKDONJSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401647015 902205291 /nfs/dbraw/zinc/20/52/91/902205291.db2.gz JCJANBUNEFXUGE-GHMZBOCLSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401647015 902205306 /nfs/dbraw/zinc/20/53/06/902205306.db2.gz JCJANBUNEFXUGE-GHMZBOCLSA-N 2 1 295.391 -0.854 20 0 CBADMP CCn1nncc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401669442 902218204 /nfs/dbraw/zinc/21/82/04/902218204.db2.gz ODFJSHNGRCTCQI-NEPJUHHUSA-N 2 1 294.403 -0.156 20 0 CBADMP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001401679188 902226479 /nfs/dbraw/zinc/22/64/79/902226479.db2.gz HLLRWUCDFYMZDZ-DGCLKSJQSA-N 2 1 296.419 -0.004 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001401697672 902235777 /nfs/dbraw/zinc/23/57/77/902235777.db2.gz KRPJQPFQTLNMLS-RVMXOQNASA-N 2 1 298.431 -0.055 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401704684 902239071 /nfs/dbraw/zinc/23/90/71/902239071.db2.gz BFTJRTAPXJSTEQ-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401773337 902267693 /nfs/dbraw/zinc/26/76/93/902267693.db2.gz COGCRDBKFQVFOE-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001401773337 902267661 /nfs/dbraw/zinc/26/76/61/902267661.db2.gz COGCRDBKFQVFOE-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001401773337 902267678 /nfs/dbraw/zinc/26/76/78/902267678.db2.gz COGCRDBKFQVFOE-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401773337 902267707 /nfs/dbraw/zinc/26/77/07/902267707.db2.gz COGCRDBKFQVFOE-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001401793103 902278704 /nfs/dbraw/zinc/27/87/04/902278704.db2.gz BDFJSURNRBLESD-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001401793103 902278691 /nfs/dbraw/zinc/27/86/91/902278691.db2.gz BDFJSURNRBLESD-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001401793103 902278720 /nfs/dbraw/zinc/27/87/20/902278720.db2.gz BDFJSURNRBLESD-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001401793103 902278739 /nfs/dbraw/zinc/27/87/39/902278739.db2.gz BDFJSURNRBLESD-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001401803855 902279357 /nfs/dbraw/zinc/27/93/57/902279357.db2.gz XWDGKYXABIGISY-WCQYABFASA-N 2 1 286.420 -0.245 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001401803855 902279370 /nfs/dbraw/zinc/27/93/70/902279370.db2.gz XWDGKYXABIGISY-WCQYABFASA-N 2 1 286.420 -0.245 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001401803843 902279577 /nfs/dbraw/zinc/27/95/77/902279577.db2.gz XWDGKYXABIGISY-AAEUAGOBSA-N 2 1 286.420 -0.245 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001401803843 902279586 /nfs/dbraw/zinc/27/95/86/902279586.db2.gz XWDGKYXABIGISY-AAEUAGOBSA-N 2 1 286.420 -0.245 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001401847168 902288751 /nfs/dbraw/zinc/28/87/51/902288751.db2.gz VPEPHDFKTMPEQW-QWHCGFSZSA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001401939905 902317355 /nfs/dbraw/zinc/31/73/55/902317355.db2.gz MBNIWORRZUHEQP-GFCCVEGCSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001402081899 902349236 /nfs/dbraw/zinc/34/92/36/902349236.db2.gz QPTVZDSUKRZRIS-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001402089291 902355680 /nfs/dbraw/zinc/35/56/80/902355680.db2.gz WAUYEXAMNHAYTF-UHFFFAOYSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001402089291 902355694 /nfs/dbraw/zinc/35/56/94/902355694.db2.gz WAUYEXAMNHAYTF-UHFFFAOYSA-N 2 1 284.404 -0.217 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001402142487 902369280 /nfs/dbraw/zinc/36/92/80/902369280.db2.gz MTNDMACEQJFJKV-CQSZACIVSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001402142487 902369284 /nfs/dbraw/zinc/36/92/84/902369284.db2.gz MTNDMACEQJFJKV-CQSZACIVSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001402242623 902389329 /nfs/dbraw/zinc/38/93/29/902389329.db2.gz VBRWAJOGLJPXPB-CHWSQXEVSA-N 2 1 299.415 -0.284 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001402238099 902392473 /nfs/dbraw/zinc/39/24/73/902392473.db2.gz XMLFIYVDYDMNGQ-NWDGAFQWSA-N 2 1 282.388 -0.594 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001402238099 902392491 /nfs/dbraw/zinc/39/24/91/902392491.db2.gz XMLFIYVDYDMNGQ-NWDGAFQWSA-N 2 1 282.388 -0.594 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001402238099 902392503 /nfs/dbraw/zinc/39/25/03/902392503.db2.gz XMLFIYVDYDMNGQ-NWDGAFQWSA-N 2 1 282.388 -0.594 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001402238099 902392515 /nfs/dbraw/zinc/39/25/15/902392515.db2.gz XMLFIYVDYDMNGQ-NWDGAFQWSA-N 2 1 282.388 -0.594 20 0 CBADMP CO[C@@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001402257810 902394556 /nfs/dbraw/zinc/39/45/56/902394556.db2.gz BLOILUWEMIAQOI-GXTWGEPZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001402274401 902404916 /nfs/dbraw/zinc/40/49/16/902404916.db2.gz XMFTVLNRJYJVES-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001402297332 902415095 /nfs/dbraw/zinc/41/50/95/902415095.db2.gz VPPWZWDADFYHPX-JSGCOSHPSA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001402297332 902415101 /nfs/dbraw/zinc/41/51/01/902415101.db2.gz VPPWZWDADFYHPX-JSGCOSHPSA-N 2 1 296.371 -0.875 20 0 CBADMP COC[C@@H](C)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001402385636 902439089 /nfs/dbraw/zinc/43/90/89/902439089.db2.gz LQDNQBFMGLIKJF-NEPJUHHUSA-N 2 1 285.388 -0.864 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001402488075 902463237 /nfs/dbraw/zinc/46/32/37/902463237.db2.gz BUVMSBWDDJODEN-IJLUTSLNSA-N 2 1 296.415 -0.158 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001402516325 902468630 /nfs/dbraw/zinc/46/86/30/902468630.db2.gz WZTZHMLDUPIEMG-HAQNSBGRSA-N 2 1 293.371 -0.306 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001402601247 902486229 /nfs/dbraw/zinc/48/62/29/902486229.db2.gz DQTXIFMSVUHXCP-YIYPIFLZSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001402641227 902496367 /nfs/dbraw/zinc/49/63/67/902496367.db2.gz GJYCRCIXOBQVRU-VXGBXAGGSA-N 2 1 286.420 -0.019 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001402681908 902502620 /nfs/dbraw/zinc/50/26/20/902502620.db2.gz LHQXJZLLZJJIFD-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001402746784 902511974 /nfs/dbraw/zinc/51/19/74/902511974.db2.gz NXXCTEGHWKZHNQ-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001402746784 902511984 /nfs/dbraw/zinc/51/19/84/902511984.db2.gz NXXCTEGHWKZHNQ-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP 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 902521337 /nfs/dbraw/zinc/52/13/37/902521337.db2.gz OXIUTFODDHZASX-BNDIWNMDSA-N 2 1 296.415 -0.493 20 0 CBADMP CNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001402810907 902525859 /nfs/dbraw/zinc/52/58/59/902525859.db2.gz FTXARVICRSZMDV-BPCQOVAHSA-N 2 1 296.415 -0.156 20 0 CBADMP CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001402847250 902535947 /nfs/dbraw/zinc/53/59/47/902535947.db2.gz DPECBTDOJCVTKW-RYUDHWBXSA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001402847250 902535952 /nfs/dbraw/zinc/53/59/52/902535952.db2.gz DPECBTDOJCVTKW-RYUDHWBXSA-N 2 1 294.403 -0.014 20 0 CBADMP Cn1nnc(C[NH2+]CC2CC(NC(=O)CC[NH+](C)C)C2)n1 ZINC001402955701 902571259 /nfs/dbraw/zinc/57/12/59/902571259.db2.gz OLLHJVPGYBWCAK-UHFFFAOYSA-N 2 1 295.391 -0.854 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CC(C[NH2+][C@H]2CCNC2=O)C1 ZINC001402951434 902572494 /nfs/dbraw/zinc/57/24/94/902572494.db2.gz MVLGMNGCFLEWBH-BPCQOVAHSA-N 2 1 296.415 -0.301 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CC(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001402951445 902573373 /nfs/dbraw/zinc/57/33/73/902573373.db2.gz MVLGMNGCFLEWBH-WXRRBKDZSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001403008465 902590391 /nfs/dbraw/zinc/59/03/91/902590391.db2.gz XVKPSWILIFYUPG-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001403064555 902604998 /nfs/dbraw/zinc/60/49/98/902604998.db2.gz UTLYTTVRNNTFLD-UWVGGRQHSA-N 2 1 283.380 -0.855 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001403072594 902609474 /nfs/dbraw/zinc/60/94/74/902609474.db2.gz OVBJZCUJKCPVIF-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCCNC1=O ZINC001403098642 902614601 /nfs/dbraw/zinc/61/46/01/902614601.db2.gz IZPZDGHWCQUDPJ-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001403099335 902617582 /nfs/dbraw/zinc/61/75/82/902617582.db2.gz IZPZDGHWCQUDPJ-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001403129739 902622649 /nfs/dbraw/zinc/62/26/49/902622649.db2.gz DJUWMCSNQAKMGF-QWRGUYRKSA-N 2 1 295.387 -0.237 20 0 CBADMP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001403145710 902627273 /nfs/dbraw/zinc/62/72/73/902627273.db2.gz UWNQTCYEPRJWDK-MWLCHTKSSA-N 2 1 280.376 -0.341 20 0 CBADMP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001403145710 902627283 /nfs/dbraw/zinc/62/72/83/902627283.db2.gz UWNQTCYEPRJWDK-MWLCHTKSSA-N 2 1 280.376 -0.341 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001403149934 902632220 /nfs/dbraw/zinc/63/22/20/902632220.db2.gz ZENRVVKEAIIXJI-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)C(=O)NC ZINC001403185743 902643740 /nfs/dbraw/zinc/64/37/40/902643740.db2.gz FRTJJXMZXFWXPL-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)C(=O)NC ZINC001403185743 902643747 /nfs/dbraw/zinc/64/37/47/902643747.db2.gz FRTJJXMZXFWXPL-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(=O)NC ZINC001403185743 902643756 /nfs/dbraw/zinc/64/37/56/902643756.db2.gz FRTJJXMZXFWXPL-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(=O)NC ZINC001403185743 902643761 /nfs/dbraw/zinc/64/37/61/902643761.db2.gz FRTJJXMZXFWXPL-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001403186446 902644244 /nfs/dbraw/zinc/64/42/44/902644244.db2.gz ZYEOWOUHTVBEAL-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001403186446 902644248 /nfs/dbraw/zinc/64/42/48/902644248.db2.gz ZYEOWOUHTVBEAL-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001403189198 902644416 /nfs/dbraw/zinc/64/44/16/902644416.db2.gz VYFYGLHEXFEYDR-WDEREUQCSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001403189198 902644422 /nfs/dbraw/zinc/64/44/22/902644422.db2.gz VYFYGLHEXFEYDR-WDEREUQCSA-N 2 1 282.388 -0.608 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001403282942 902662949 /nfs/dbraw/zinc/66/29/49/902662949.db2.gz VDSUHFIVUJWVNU-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001403282953 902663192 /nfs/dbraw/zinc/66/31/92/902663192.db2.gz VDSUHFIVUJWVNU-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001403271006 902663261 /nfs/dbraw/zinc/66/32/61/902663261.db2.gz FKIKNZWWYJVFSI-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001403320215 902667948 /nfs/dbraw/zinc/66/79/48/902667948.db2.gz CUJXKGWWKNVZHB-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@H](C)C(=O)NC)C1 ZINC001403347761 902674709 /nfs/dbraw/zinc/67/47/09/902674709.db2.gz GVRPPZXWKZTQMK-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@H](C)C(=O)NC)C1 ZINC001403347761 902674712 /nfs/dbraw/zinc/67/47/12/902674712.db2.gz GVRPPZXWKZTQMK-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001403371045 902679490 /nfs/dbraw/zinc/67/94/90/902679490.db2.gz BLMDJBZRHLJDHV-XDQVBPFNSA-N 2 1 292.383 -0.134 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001403371045 902679500 /nfs/dbraw/zinc/67/95/00/902679500.db2.gz BLMDJBZRHLJDHV-XDQVBPFNSA-N 2 1 292.383 -0.134 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001403460219 902696725 /nfs/dbraw/zinc/69/67/25/902696725.db2.gz QKVYDUBCXQPVKU-XYPYZODXSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001403598194 902747519 /nfs/dbraw/zinc/74/75/19/902747519.db2.gz XDFULYXPRXLNRS-JTQLQIEISA-N 2 1 283.380 -0.902 20 0 CBADMP Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001403705504 902813085 /nfs/dbraw/zinc/81/30/85/902813085.db2.gz SQFJCWHXYQVXFG-GFCCVEGCSA-N 2 1 284.360 -0.499 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001403749154 902836542 /nfs/dbraw/zinc/83/65/42/902836542.db2.gz KATYADODFLDVJK-VXGBXAGGSA-N 2 1 286.420 -0.245 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001403749154 902836555 /nfs/dbraw/zinc/83/65/55/902836555.db2.gz KATYADODFLDVJK-VXGBXAGGSA-N 2 1 286.420 -0.245 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC(N)=O)CC2 ZINC001403766402 902844380 /nfs/dbraw/zinc/84/43/80/902844380.db2.gz FXPUEUTTWWQUKP-SWLSCSKDSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC(N)=O)CC2 ZINC001403766402 902844395 /nfs/dbraw/zinc/84/43/95/902844395.db2.gz FXPUEUTTWWQUKP-SWLSCSKDSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2 ZINC001403766402 902844407 /nfs/dbraw/zinc/84/44/07/902844407.db2.gz FXPUEUTTWWQUKP-SWLSCSKDSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2 ZINC001403766402 902844422 /nfs/dbraw/zinc/84/44/22/902844422.db2.gz FXPUEUTTWWQUKP-SWLSCSKDSA-N 2 1 296.415 -0.073 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001403782673 902849235 /nfs/dbraw/zinc/84/92/35/902849235.db2.gz PSORZNHCYJHRQV-JQWIXIFHSA-N 2 1 293.371 -0.483 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001403817316 902856633 /nfs/dbraw/zinc/85/66/33/902856633.db2.gz PCDDSSROJGXBCP-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@H+](CCCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001403846202 902872253 /nfs/dbraw/zinc/87/22/53/902872253.db2.gz RYNYPVQTYKZPAM-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@@H+](CCCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001403846202 902872264 /nfs/dbraw/zinc/87/22/64/902872264.db2.gz RYNYPVQTYKZPAM-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[NH+](CCCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001403846202 902872274 /nfs/dbraw/zinc/87/22/74/902872274.db2.gz RYNYPVQTYKZPAM-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[NH+](CCCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001403846202 902872287 /nfs/dbraw/zinc/87/22/87/902872287.db2.gz RYNYPVQTYKZPAM-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC2CC2)C1 ZINC001403881330 902887918 /nfs/dbraw/zinc/88/79/18/902887918.db2.gz OOCHTAUMTPIVIV-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC2CC2)C1 ZINC001403881330 902887926 /nfs/dbraw/zinc/88/79/26/902887926.db2.gz OOCHTAUMTPIVIV-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+]1CCC(OCC(=O)NC[C@H]2CCC[N@H+]2CCO)CC1 ZINC001404001565 902919657 /nfs/dbraw/zinc/91/96/57/902919657.db2.gz FUMQLEMGZFPUNI-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001403993883 902922079 /nfs/dbraw/zinc/92/20/79/902922079.db2.gz VUROWZOXVYONIN-VXGBXAGGSA-N 2 1 298.431 -0.066 20 0 CBADMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001404106338 902936955 /nfs/dbraw/zinc/93/69/55/902936955.db2.gz XKWXTYWFFHGNNE-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)CC(N)=O ZINC001404127182 902942237 /nfs/dbraw/zinc/94/22/37/902942237.db2.gz JVPUTIUCISAHFQ-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)CC(N)=O ZINC001404127182 902942246 /nfs/dbraw/zinc/94/22/46/902942246.db2.gz JVPUTIUCISAHFQ-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)N(C)C ZINC001404170287 902951634 /nfs/dbraw/zinc/95/16/34/902951634.db2.gz HIKZMABRTDQFFG-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)N(C)C ZINC001404170287 902951653 /nfs/dbraw/zinc/95/16/53/902951653.db2.gz HIKZMABRTDQFFG-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)N(C)C ZINC001404170287 902951668 /nfs/dbraw/zinc/95/16/68/902951668.db2.gz HIKZMABRTDQFFG-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)N(C)C ZINC001404170287 902951677 /nfs/dbraw/zinc/95/16/77/902951677.db2.gz HIKZMABRTDQFFG-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP C[NH+]1CCC(CC(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001404208796 902956256 /nfs/dbraw/zinc/95/62/56/902956256.db2.gz MEMHSZWRJYULHO-ZDUSSCGKSA-N 2 1 296.415 -0.358 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O ZINC001404308557 902969917 /nfs/dbraw/zinc/96/99/17/902969917.db2.gz DAXYDZBOPYUXML-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1nnnn1C)[NH+](C)C ZINC001404429114 902983221 /nfs/dbraw/zinc/98/32/21/902983221.db2.gz AIERTAWPSLZWCP-QWRGUYRKSA-N 2 1 297.407 -0.341 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC(N)=O)C1 ZINC001404610651 903005963 /nfs/dbraw/zinc/00/59/63/903005963.db2.gz ZGYXBXLOFFQAGS-GFCCVEGCSA-N 2 1 284.404 -0.408 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001404610651 903005976 /nfs/dbraw/zinc/00/59/76/903005976.db2.gz ZGYXBXLOFFQAGS-GFCCVEGCSA-N 2 1 284.404 -0.408 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001404610651 903005987 /nfs/dbraw/zinc/00/59/87/903005987.db2.gz ZGYXBXLOFFQAGS-GFCCVEGCSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001404929299 903055173 /nfs/dbraw/zinc/05/51/73/903055173.db2.gz IHSGUNTWMYWFNZ-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001404929299 903055187 /nfs/dbraw/zinc/05/51/87/903055187.db2.gz IHSGUNTWMYWFNZ-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001405094369 903082130 /nfs/dbraw/zinc/08/21/30/903082130.db2.gz RGFYMAGHAWQHHD-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001405094369 903082138 /nfs/dbraw/zinc/08/21/38/903082138.db2.gz RGFYMAGHAWQHHD-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001405159775 903093068 /nfs/dbraw/zinc/09/30/68/903093068.db2.gz UFEQFUVJJYPTRP-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001405159775 903093083 /nfs/dbraw/zinc/09/30/83/903093083.db2.gz UFEQFUVJJYPTRP-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001405159775 903093094 /nfs/dbraw/zinc/09/30/94/903093094.db2.gz UFEQFUVJJYPTRP-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001405159775 903093105 /nfs/dbraw/zinc/09/31/05/903093105.db2.gz UFEQFUVJJYPTRP-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001405166928 903094692 /nfs/dbraw/zinc/09/46/92/903094692.db2.gz CQNVTQBZWNFJHL-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001405304999 903141858 /nfs/dbraw/zinc/14/18/58/903141858.db2.gz MYUXHDIKEWIONM-NSHDSACASA-N 2 1 286.420 -0.066 20 0 CBADMP CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001405332305 903148558 /nfs/dbraw/zinc/14/85/58/903148558.db2.gz HPWHPHQZYSDVNT-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001405429068 903167212 /nfs/dbraw/zinc/16/72/12/903167212.db2.gz BDYWAJFYJYMKRA-DOMZBBRYSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001405723868 903207910 /nfs/dbraw/zinc/20/79/10/903207910.db2.gz VRTZPTROMLCGPV-RYUDHWBXSA-N 2 1 286.420 -0.197 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001405720237 903208513 /nfs/dbraw/zinc/20/85/13/903208513.db2.gz QODSOIBGKXTCOW-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001405717568 903209870 /nfs/dbraw/zinc/20/98/70/903209870.db2.gz LFGBILWEXPMIAZ-RYUDHWBXSA-N 2 1 284.404 -0.443 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405745754 903213597 /nfs/dbraw/zinc/21/35/97/903213597.db2.gz UZBFPPKJIDAUDJ-MNOVXSKESA-N 2 1 270.377 -0.974 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@H](C)O)CCO1 ZINC001405739362 903214067 /nfs/dbraw/zinc/21/40/67/903214067.db2.gz LVVZLXXVBXRVRX-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@H](C)O)CCO1 ZINC001405739362 903214081 /nfs/dbraw/zinc/21/40/81/903214081.db2.gz LVVZLXXVBXRVRX-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001405739362 903214091 /nfs/dbraw/zinc/21/40/91/903214091.db2.gz LVVZLXXVBXRVRX-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001405739362 903214104 /nfs/dbraw/zinc/21/41/04/903214104.db2.gz LVVZLXXVBXRVRX-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405745759 903214645 /nfs/dbraw/zinc/21/46/45/903214645.db2.gz UZBFPPKJIDAUDJ-QWRGUYRKSA-N 2 1 270.377 -0.974 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001405802963 903225781 /nfs/dbraw/zinc/22/57/81/903225781.db2.gz CRIWBXRTRPVECP-QJPTWQEYSA-N 2 1 284.404 -0.491 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001405900137 903246093 /nfs/dbraw/zinc/24/60/93/903246093.db2.gz PADBCBOSEVWFAJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001405971242 903249781 /nfs/dbraw/zinc/24/97/81/903249781.db2.gz MVBOEDFNXWCECH-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]([NH2+][C@H]1CCNC1=O)C(C)C ZINC001406075142 903263154 /nfs/dbraw/zinc/26/31/54/903263154.db2.gz NNURWCFGODJMQM-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001406074977 903263777 /nfs/dbraw/zinc/26/37/77/903263777.db2.gz GLJMCOYQBUPXOW-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP COC[C@H](O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001406074977 903263789 /nfs/dbraw/zinc/26/37/89/903263789.db2.gz GLJMCOYQBUPXOW-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP COC[C@H](O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001406074977 903263800 /nfs/dbraw/zinc/26/38/00/903263800.db2.gz GLJMCOYQBUPXOW-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001406104490 903268959 /nfs/dbraw/zinc/26/89/59/903268959.db2.gz AZELVJCJGUBWQY-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001406104490 903268968 /nfs/dbraw/zinc/26/89/68/903268968.db2.gz AZELVJCJGUBWQY-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001406119079 903273348 /nfs/dbraw/zinc/27/33/48/903273348.db2.gz VUXMJZDGNSFZPP-ZDUSSCGKSA-N 2 1 298.387 -0.411 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001406119079 903273356 /nfs/dbraw/zinc/27/33/56/903273356.db2.gz VUXMJZDGNSFZPP-ZDUSSCGKSA-N 2 1 298.387 -0.411 20 0 CBADMP CN(CC[N@@H+](C)CCn1cncn1)C(=O)C[NH+]1CCCC1 ZINC001406161861 903277850 /nfs/dbraw/zinc/27/78/50/903277850.db2.gz BPHVLAUKIJBEKR-UHFFFAOYSA-N 2 1 294.403 -0.236 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001406153525 903282646 /nfs/dbraw/zinc/28/26/46/903282646.db2.gz KKMSIAAJQVUVTD-LLVKDONJSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001406153525 903282661 /nfs/dbraw/zinc/28/26/61/903282661.db2.gz KKMSIAAJQVUVTD-LLVKDONJSA-N 2 1 282.388 -0.654 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001406216087 903306979 /nfs/dbraw/zinc/30/69/79/903306979.db2.gz ZOMOBAITNDTHPC-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001406251560 903326457 /nfs/dbraw/zinc/32/64/57/903326457.db2.gz AKMMSDRGVCQTTK-LLVKDONJSA-N 2 1 270.333 -0.807 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001406262683 903329053 /nfs/dbraw/zinc/32/90/53/903329053.db2.gz XEOFEHYWVAFSNZ-VIFPVBQESA-N 2 1 287.389 -0.944 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001406263108 903329594 /nfs/dbraw/zinc/32/95/94/903329594.db2.gz CMJOVCAMGLTDCD-AAEUAGOBSA-N 2 1 296.371 -0.417 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001406263108 903329604 /nfs/dbraw/zinc/32/96/04/903329604.db2.gz CMJOVCAMGLTDCD-AAEUAGOBSA-N 2 1 296.371 -0.417 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001406263119 903330743 /nfs/dbraw/zinc/33/07/43/903330743.db2.gz CMJOVCAMGLTDCD-YPMHNXCESA-N 2 1 296.371 -0.417 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001406263119 903330755 /nfs/dbraw/zinc/33/07/55/903330755.db2.gz CMJOVCAMGLTDCD-YPMHNXCESA-N 2 1 296.371 -0.417 20 0 CBADMP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)CCc1cnc[nH]1 ZINC001406293058 903343108 /nfs/dbraw/zinc/34/31/08/903343108.db2.gz BBUYVNJTNVMMIK-CMPLNLGQSA-N 2 1 293.371 -0.285 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nccs2)C1 ZINC001406301432 903347397 /nfs/dbraw/zinc/34/73/97/903347397.db2.gz ZZYDRCOAYTXOEB-QWRGUYRKSA-N 2 1 298.412 -0.339 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nccs2)C1 ZINC001406301432 903347411 /nfs/dbraw/zinc/34/74/11/903347411.db2.gz ZZYDRCOAYTXOEB-QWRGUYRKSA-N 2 1 298.412 -0.339 20 0 CBADMP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1nnnn1C)[NH+](C)C ZINC001406366651 903379521 /nfs/dbraw/zinc/37/95/21/903379521.db2.gz UVFAONBIWIHPBR-GMTAPVOTSA-N 2 1 297.407 -0.294 20 0 CBADMP CN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001459270179 914719542 /nfs/dbraw/zinc/71/95/42/914719542.db2.gz MAEGNGLKSYNOJS-LBPRGKRZSA-N 2 1 296.415 -0.441 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001406648771 903457257 /nfs/dbraw/zinc/45/72/57/903457257.db2.gz ARHDMNRNJYDMJO-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC(=O)N1CCC1 ZINC001406681510 903461192 /nfs/dbraw/zinc/46/11/92/903461192.db2.gz CWLNRMMHAGEIFY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC(=O)N1CCC1 ZINC001406681510 903461194 /nfs/dbraw/zinc/46/11/94/903461194.db2.gz CWLNRMMHAGEIFY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N1CCC1 ZINC001406681510 903461198 /nfs/dbraw/zinc/46/11/98/903461198.db2.gz CWLNRMMHAGEIFY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N1CCC1 ZINC001406681510 903461202 /nfs/dbraw/zinc/46/12/02/903461202.db2.gz CWLNRMMHAGEIFY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC(=O)N1CCC1 ZINC001406681502 903461569 /nfs/dbraw/zinc/46/15/69/903461569.db2.gz CWLNRMMHAGEIFY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC(=O)N1CCC1 ZINC001406681502 903461578 /nfs/dbraw/zinc/46/15/78/903461578.db2.gz CWLNRMMHAGEIFY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC(=O)N1CCC1 ZINC001406681502 903461589 /nfs/dbraw/zinc/46/15/89/903461589.db2.gz CWLNRMMHAGEIFY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N1CCC1 ZINC001406681502 903461592 /nfs/dbraw/zinc/46/15/92/903461592.db2.gz CWLNRMMHAGEIFY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@@H]1CCNC1=O ZINC001406694128 903465472 /nfs/dbraw/zinc/46/54/72/903465472.db2.gz LLKHMXIOJAPTJN-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@@H]1CCNC1=O ZINC001406694128 903465477 /nfs/dbraw/zinc/46/54/77/903465477.db2.gz LLKHMXIOJAPTJN-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001406694128 903465481 /nfs/dbraw/zinc/46/54/81/903465481.db2.gz LLKHMXIOJAPTJN-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001406694128 903465483 /nfs/dbraw/zinc/46/54/83/903465483.db2.gz LLKHMXIOJAPTJN-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+](C)CCOC)C1 ZINC001406714374 903469807 /nfs/dbraw/zinc/46/98/07/903469807.db2.gz WMXDWFDFWPJMRZ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+](C)CCOC)C1 ZINC001406714374 903469817 /nfs/dbraw/zinc/46/98/17/903469817.db2.gz WMXDWFDFWPJMRZ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCOC)C1 ZINC001406714374 903469823 /nfs/dbraw/zinc/46/98/23/903469823.db2.gz WMXDWFDFWPJMRZ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCOC)C1 ZINC001406714374 903469832 /nfs/dbraw/zinc/46/98/32/903469832.db2.gz WMXDWFDFWPJMRZ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+](C)CCOC)C1 ZINC001406714350 903469875 /nfs/dbraw/zinc/46/98/75/903469875.db2.gz WMXDWFDFWPJMRZ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+](C)CCOC)C1 ZINC001406714350 903469883 /nfs/dbraw/zinc/46/98/83/903469883.db2.gz WMXDWFDFWPJMRZ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCOC)C1 ZINC001406714350 903469893 /nfs/dbraw/zinc/46/98/93/903469893.db2.gz WMXDWFDFWPJMRZ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CCOC)C1 ZINC001406714350 903469901 /nfs/dbraw/zinc/46/99/01/903469901.db2.gz WMXDWFDFWPJMRZ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001406764456 903474059 /nfs/dbraw/zinc/47/40/59/903474059.db2.gz SHKYWNRNPFQOAU-STQMWFEESA-N 2 1 296.415 -0.171 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001406764446 903475326 /nfs/dbraw/zinc/47/53/26/903475326.db2.gz SHKYWNRNPFQOAU-CHWSQXEVSA-N 2 1 296.415 -0.171 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001406852141 903491989 /nfs/dbraw/zinc/49/19/89/903491989.db2.gz GVNJQWOCHZKUCN-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001406960900 903517513 /nfs/dbraw/zinc/51/75/13/903517513.db2.gz QTXJIUXQZFKOOP-VXGBXAGGSA-N 2 1 294.399 -0.545 20 0 CBADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001406957924 903518352 /nfs/dbraw/zinc/51/83/52/903518352.db2.gz MOSOTONFBINYPL-OLZOCXBDSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001406985765 903522757 /nfs/dbraw/zinc/52/27/57/903522757.db2.gz HRUHYWOIIQKNHI-GHMZBOCLSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001407006667 903524766 /nfs/dbraw/zinc/52/47/66/903524766.db2.gz MGJKMHMAZZBOBR-LLVKDONJSA-N 2 1 282.388 -0.416 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001406993775 903525776 /nfs/dbraw/zinc/52/57/76/903525776.db2.gz KRMGWCAYVZCBBO-LLVKDONJSA-N 2 1 291.355 -0.682 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001406986736 903526187 /nfs/dbraw/zinc/52/61/87/903526187.db2.gz JVHMKGWWXYERKL-VXGBXAGGSA-N 2 1 294.399 -0.545 20 0 CBADMP O=C(NC[C@]1(O)CC[N@@H+](CCCF)C1)C12CC[NH+](CC1)C2 ZINC001407374301 903583485 /nfs/dbraw/zinc/58/34/85/903583485.db2.gz QMUJISKYKFFPNG-OAHLLOKOSA-N 2 1 299.390 -0.005 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)CC1 ZINC001407369958 903583757 /nfs/dbraw/zinc/58/37/57/903583757.db2.gz UBIVZFNZUSDCRW-OAHLLOKOSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NCC2(O)C[NH+](CC3CC3)C2)C1 ZINC001407430456 903604865 /nfs/dbraw/zinc/60/48/65/903604865.db2.gz NTVSHMJEBODCRJ-LBPRGKRZSA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC2(O)C[NH+](CC3CC3)C2)C1 ZINC001407430456 903604869 /nfs/dbraw/zinc/60/48/69/903604869.db2.gz NTVSHMJEBODCRJ-LBPRGKRZSA-N 2 1 281.400 -0.099 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001407534884 903625859 /nfs/dbraw/zinc/62/58/59/903625859.db2.gz IMQMZHWPLPELDX-RYUDHWBXSA-N 2 1 284.404 -0.502 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001407754844 903655168 /nfs/dbraw/zinc/65/51/68/903655168.db2.gz DUVFWQWJQWHRHI-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC001407897695 903675046 /nfs/dbraw/zinc/67/50/46/903675046.db2.gz XBLQWGTUMKBBMK-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001407897695 903675055 /nfs/dbraw/zinc/67/50/55/903675055.db2.gz XBLQWGTUMKBBMK-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001407897695 903675066 /nfs/dbraw/zinc/67/50/66/903675066.db2.gz XBLQWGTUMKBBMK-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001407923421 903678381 /nfs/dbraw/zinc/67/83/81/903678381.db2.gz IOVOHZCCIBDICL-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001408003278 903691072 /nfs/dbraw/zinc/69/10/72/903691072.db2.gz BYGRZQOMPTWEOW-GXTWGEPZSA-N 2 1 285.388 -0.984 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(N)=O)C1 ZINC001408113103 903711981 /nfs/dbraw/zinc/71/19/81/903711981.db2.gz YOCHCBCNTNDGQE-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001408303488 903747702 /nfs/dbraw/zinc/74/77/02/903747702.db2.gz RVGLLLPVGOGVES-FRRDWIJNSA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[N@@H+](C)CC(N)=O)CCC1 ZINC001408352421 903755943 /nfs/dbraw/zinc/75/59/43/903755943.db2.gz UXBIKGXJQRIMSZ-LBPRGKRZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[N@H+](C)CC(N)=O)CCC1 ZINC001408352421 903755953 /nfs/dbraw/zinc/75/59/53/903755953.db2.gz UXBIKGXJQRIMSZ-LBPRGKRZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH+](C)CC(N)=O)C1 ZINC001408357411 903757357 /nfs/dbraw/zinc/75/73/57/903757357.db2.gz PXCDUBKMRSUVKF-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH+](C)CC(N)=O)C1 ZINC001408357411 903757362 /nfs/dbraw/zinc/75/73/62/903757362.db2.gz PXCDUBKMRSUVKF-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]2C[N@H+](C)CC(N)=O)C1 ZINC001408357411 903757371 /nfs/dbraw/zinc/75/73/71/903757371.db2.gz PXCDUBKMRSUVKF-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]2C[N@@H+](C)CC(N)=O)C1 ZINC001408357411 903757376 /nfs/dbraw/zinc/75/73/76/903757376.db2.gz PXCDUBKMRSUVKF-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001409651350 903951708 /nfs/dbraw/zinc/95/17/08/903951708.db2.gz SGCYWWVVFSXWLY-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001409651350 903951716 /nfs/dbraw/zinc/95/17/16/903951716.db2.gz SGCYWWVVFSXWLY-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001409905525 903982847 /nfs/dbraw/zinc/98/28/47/903982847.db2.gz GPEVXTFIPZFVSE-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001410392369 904087731 /nfs/dbraw/zinc/08/77/31/904087731.db2.gz TYKJNZSAZQXHRD-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410478825 904106857 /nfs/dbraw/zinc/10/68/57/904106857.db2.gz ATONQEJTTINSPH-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CCC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001410788797 904185780 /nfs/dbraw/zinc/18/57/80/904185780.db2.gz OHYXIPVWKAZKND-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP CCC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001410788797 904185787 /nfs/dbraw/zinc/18/57/87/904185787.db2.gz OHYXIPVWKAZKND-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001411137034 904241197 /nfs/dbraw/zinc/24/11/97/904241197.db2.gz JMGSISWCXGQSEA-DGCLKSJQSA-N 2 1 296.371 -0.465 20 0 CBADMP CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001411137034 904241208 /nfs/dbraw/zinc/24/12/08/904241208.db2.gz JMGSISWCXGQSEA-DGCLKSJQSA-N 2 1 296.371 -0.465 20 0 CBADMP COCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@H](C)O ZINC001411213306 904261104 /nfs/dbraw/zinc/26/11/04/904261104.db2.gz FOUNOMRFKVDCTH-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C[C@H](C)O ZINC001411213306 904261119 /nfs/dbraw/zinc/26/11/19/904261119.db2.gz FOUNOMRFKVDCTH-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C[C@H](C)O ZINC001411213306 904261135 /nfs/dbraw/zinc/26/11/35/904261135.db2.gz FOUNOMRFKVDCTH-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C1CC([NH2+]CC(=O)N(C)C)C1 ZINC001411282346 904277422 /nfs/dbraw/zinc/27/74/22/904277422.db2.gz PDENIPPJUNJASF-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H]1CN(C(=O)CC[N@H+]2CC[C@H](F)C2)CCN1CCO ZINC001412050458 904431894 /nfs/dbraw/zinc/43/18/94/904431894.db2.gz KYMADZXJQZUMRU-OLZOCXBDSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+]2CC[C@H](F)C2)CC[N@H+]1CCO ZINC001412050458 904431914 /nfs/dbraw/zinc/43/19/14/904431914.db2.gz KYMADZXJQZUMRU-OLZOCXBDSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@@H]1CN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CC[NH+]1CCO ZINC001412050458 904431922 /nfs/dbraw/zinc/43/19/22/904431922.db2.gz KYMADZXJQZUMRU-OLZOCXBDSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@@H]1CN(C(=O)CC[N@H+]2CC[C@H](F)C2)CC[NH+]1CCO ZINC001412050458 904431931 /nfs/dbraw/zinc/43/19/31/904431931.db2.gz KYMADZXJQZUMRU-OLZOCXBDSA-N 2 1 287.379 -0.055 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001412686219 904664973 /nfs/dbraw/zinc/66/49/73/904664973.db2.gz CWHWXJOBSOHFAW-GFCCVEGCSA-N 2 1 283.372 -0.702 20 0 CBADMP CC(=O)[C@](C)(O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC001412963422 904830373 /nfs/dbraw/zinc/83/03/73/904830373.db2.gz OBCHATLEKRLVPT-CQSZACIVSA-N 2 1 271.405 -0.104 20 0 CBADMP CC(C)(O)[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001413029846 904878890 /nfs/dbraw/zinc/87/88/90/904878890.db2.gz GWHYNGSZFACIBF-STQMWFEESA-N 2 1 272.389 -0.351 20 0 CBADMP CC(C)(O)[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001413029846 904878907 /nfs/dbraw/zinc/87/89/07/904878907.db2.gz GWHYNGSZFACIBF-STQMWFEESA-N 2 1 272.389 -0.351 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001417257533 905882446 /nfs/dbraw/zinc/88/24/46/905882446.db2.gz NFRMMJLMGGHILJ-UHFFFAOYSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001417801795 906057111 /nfs/dbraw/zinc/05/71/11/906057111.db2.gz MYZXMVODZXHSHG-CYDGBPFRSA-N 2 1 296.415 -0.443 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001417945988 906119681 /nfs/dbraw/zinc/11/96/81/906119681.db2.gz SUXRQUBFQHEGNW-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001417945988 906119685 /nfs/dbraw/zinc/11/96/85/906119685.db2.gz SUXRQUBFQHEGNW-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001417980265 906130172 /nfs/dbraw/zinc/13/01/72/906130172.db2.gz ALLSIULKJWNIAM-GFCCVEGCSA-N 2 1 282.388 -0.560 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]([NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001417989286 906131138 /nfs/dbraw/zinc/13/11/38/906131138.db2.gz OJWFIJSOXGBZHQ-CMPLNLGQSA-N 2 1 293.371 -0.450 20 0 CBADMP C[C@H](O)C[NH2+][C@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001418007068 906136204 /nfs/dbraw/zinc/13/62/04/906136204.db2.gz ZXIOSLHAPFUYNL-GXTWGEPZSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001418044233 906145656 /nfs/dbraw/zinc/14/56/56/906145656.db2.gz SKHGPNBLPORKBK-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001418044233 906145661 /nfs/dbraw/zinc/14/56/61/906145661.db2.gz SKHGPNBLPORKBK-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001418047901 906145801 /nfs/dbraw/zinc/14/58/01/906145801.db2.gz CFZKZDRHOBGPNC-AVGNSLFASA-N 2 1 294.399 -0.404 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001418052107 906148080 /nfs/dbraw/zinc/14/80/80/906148080.db2.gz VDGBOBVIDWPAJF-STQMWFEESA-N 2 1 298.431 -0.006 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001418069018 906154280 /nfs/dbraw/zinc/15/42/80/906154280.db2.gz SZTSKTRCXFVJMW-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)OC)C2)C1 ZINC001418077012 906159641 /nfs/dbraw/zinc/15/96/41/906159641.db2.gz SNDUYLQWTAMBTR-XUXIUFHCSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)OC)C2)C1 ZINC001418077012 906159645 /nfs/dbraw/zinc/15/96/45/906159645.db2.gz SNDUYLQWTAMBTR-XUXIUFHCSA-N 2 1 299.415 -0.021 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001418137851 906180244 /nfs/dbraw/zinc/18/02/44/906180244.db2.gz NZGVSHVXRIBGLB-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001418189976 906194034 /nfs/dbraw/zinc/19/40/34/906194034.db2.gz DPGCZFKHBVEVDH-UHFFFAOYSA-N 2 1 284.404 -0.171 20 0 CBADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001418225557 906222107 /nfs/dbraw/zinc/22/21/07/906222107.db2.gz ANHJMHJSMPFUDO-QWRGUYRKSA-N 2 1 295.387 -0.024 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H](C)C(N)=O ZINC001418232305 906228753 /nfs/dbraw/zinc/22/87/53/906228753.db2.gz CVUJDOVDCVLOSZ-NXEZZACHSA-N 2 1 270.377 -0.561 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001418255243 906241132 /nfs/dbraw/zinc/24/11/32/906241132.db2.gz CXFCPHBDIRZTFR-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)CC2 ZINC001418270740 906245880 /nfs/dbraw/zinc/24/58/80/906245880.db2.gz OCKCJMSVWXJZCS-ONGXEEELSA-N 2 1 293.371 -0.666 20 0 CBADMP C[N@@H+](CC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCC[C@H]1O ZINC001418278051 906252597 /nfs/dbraw/zinc/25/25/97/906252597.db2.gz JTBFWUMYCAUSKW-REWJHTLYSA-N 2 1 297.399 -0.891 20 0 CBADMP C[NH+](CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCC[C@H]1O ZINC001418278051 906252610 /nfs/dbraw/zinc/25/26/10/906252610.db2.gz JTBFWUMYCAUSKW-REWJHTLYSA-N 2 1 297.399 -0.891 20 0 CBADMP C[NH+](CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCC[C@H]1O ZINC001418278051 906252626 /nfs/dbraw/zinc/25/26/26/906252626.db2.gz JTBFWUMYCAUSKW-REWJHTLYSA-N 2 1 297.399 -0.891 20 0 CBADMP CCn1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001418311715 906272424 /nfs/dbraw/zinc/27/24/24/906272424.db2.gz AODAUCJAUYTDHE-NWDGAFQWSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001418311715 906272437 /nfs/dbraw/zinc/27/24/37/906272437.db2.gz AODAUCJAUYTDHE-NWDGAFQWSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1cc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001418311712 906273077 /nfs/dbraw/zinc/27/30/77/906273077.db2.gz AODAUCJAUYTDHE-NEPJUHHUSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1cc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001418311712 906273096 /nfs/dbraw/zinc/27/30/96/906273096.db2.gz AODAUCJAUYTDHE-NEPJUHHUSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1cc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001418311718 906274186 /nfs/dbraw/zinc/27/41/86/906274186.db2.gz AODAUCJAUYTDHE-RYUDHWBXSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1cc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001418311718 906274200 /nfs/dbraw/zinc/27/42/00/906274200.db2.gz AODAUCJAUYTDHE-RYUDHWBXSA-N 2 1 294.403 -0.156 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001418347032 906290297 /nfs/dbraw/zinc/29/02/97/906290297.db2.gz CDIUIRHJVUYMLF-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001418356911 906296755 /nfs/dbraw/zinc/29/67/55/906296755.db2.gz NHRMPNUBNKOMPG-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418432245 906320396 /nfs/dbraw/zinc/32/03/96/906320396.db2.gz HZHGAFHSNQORND-GHMZBOCLSA-N 2 1 270.377 -0.832 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418433592 906320861 /nfs/dbraw/zinc/32/08/61/906320861.db2.gz SGMYJJBAWCXWIF-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CCOC1CCC1 ZINC001418449082 906331085 /nfs/dbraw/zinc/33/10/85/906331085.db2.gz USALQOWBNHBCMP-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CCOC1CCC1 ZINC001418449082 906331096 /nfs/dbraw/zinc/33/10/96/906331096.db2.gz USALQOWBNHBCMP-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CCOC1CCC1 ZINC001418449082 906331109 /nfs/dbraw/zinc/33/11/09/906331109.db2.gz USALQOWBNHBCMP-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CCOC1CCC1 ZINC001418449082 906331118 /nfs/dbraw/zinc/33/11/18/906331118.db2.gz USALQOWBNHBCMP-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H](O)CCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001418449552 906332453 /nfs/dbraw/zinc/33/24/53/906332453.db2.gz XMXMUKYXMAYQCM-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001418449552 906332468 /nfs/dbraw/zinc/33/24/68/906332468.db2.gz XMXMUKYXMAYQCM-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)CCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001418449552 906332495 /nfs/dbraw/zinc/33/24/95/906332495.db2.gz XMXMUKYXMAYQCM-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)CCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001418449552 906332505 /nfs/dbraw/zinc/33/25/05/906332505.db2.gz XMXMUKYXMAYQCM-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCNC1=O ZINC001418467406 906346823 /nfs/dbraw/zinc/34/68/23/906346823.db2.gz BGNRULWJGGGUJL-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCNC1=O ZINC001418467406 906346839 /nfs/dbraw/zinc/34/68/39/906346839.db2.gz BGNRULWJGGGUJL-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CCNC1=O ZINC001418467406 906346855 /nfs/dbraw/zinc/34/68/55/906346855.db2.gz BGNRULWJGGGUJL-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CCNC1=O ZINC001418467406 906346871 /nfs/dbraw/zinc/34/68/71/906346871.db2.gz BGNRULWJGGGUJL-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@@H+](C)CCN1CCNC1=O ZINC001418492119 906363336 /nfs/dbraw/zinc/36/33/36/906363336.db2.gz MZYNLMWSVNWHOD-UHFFFAOYSA-N 2 1 285.392 -0.989 20 0 CBADMP CN1CCC[C@H]([N@H+](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001418519929 906385800 /nfs/dbraw/zinc/38/58/00/906385800.db2.gz OWRSGFCLGQDORL-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CN1CCC[C@H]([N@@H+](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001418519929 906385816 /nfs/dbraw/zinc/38/58/16/906385816.db2.gz OWRSGFCLGQDORL-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCNC1=O ZINC001418539016 906402446 /nfs/dbraw/zinc/40/24/46/906402446.db2.gz HQSPRUOLMJVECO-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001418539016 906402430 /nfs/dbraw/zinc/40/24/30/906402430.db2.gz HQSPRUOLMJVECO-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC001418539016 906402438 /nfs/dbraw/zinc/40/24/38/906402438.db2.gz HQSPRUOLMJVECO-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001418628219 906431719 /nfs/dbraw/zinc/43/17/19/906431719.db2.gz HMEKNTZDXADRPS-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001418628219 906431728 /nfs/dbraw/zinc/43/17/28/906431728.db2.gz HMEKNTZDXADRPS-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001418662850 906443701 /nfs/dbraw/zinc/44/37/01/906443701.db2.gz VWZCNIPBQATXFS-PHIMTYICSA-N 2 1 270.377 -0.702 20 0 CBADMP CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)N(C)C ZINC001418747046 906463020 /nfs/dbraw/zinc/46/30/20/906463020.db2.gz RBLQQSOBNGGYHQ-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP CCC[N@@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)N(C)C ZINC001418747046 906463031 /nfs/dbraw/zinc/46/30/31/906463031.db2.gz RBLQQSOBNGGYHQ-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(N)=O ZINC001418754597 906463117 /nfs/dbraw/zinc/46/31/17/906463117.db2.gz IEVMERLNLNEWFK-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(N)=O ZINC001418754597 906463131 /nfs/dbraw/zinc/46/31/31/906463131.db2.gz IEVMERLNLNEWFK-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP O=C(CC[NH+]1CC[C@H](F)C1)NCC[N@@H+]1CC[C@H](O)C1 ZINC001418809664 906479717 /nfs/dbraw/zinc/47/97/17/906479717.db2.gz VLAQVOZXVUUVTA-RYUDHWBXSA-N 2 1 273.352 -0.397 20 0 CBADMP O=C(CC[N@@H+]1CC[C@H](F)C1)NCC[NH+]1CC[C@H](O)C1 ZINC001418809664 906479728 /nfs/dbraw/zinc/47/97/28/906479728.db2.gz VLAQVOZXVUUVTA-RYUDHWBXSA-N 2 1 273.352 -0.397 20 0 CBADMP O=C(CC[N@H+]1CC[C@H](F)C1)NCC[NH+]1CC[C@H](O)C1 ZINC001418809664 906479749 /nfs/dbraw/zinc/47/97/49/906479749.db2.gz VLAQVOZXVUUVTA-RYUDHWBXSA-N 2 1 273.352 -0.397 20 0 CBADMP CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001418817102 906483038 /nfs/dbraw/zinc/48/30/38/906483038.db2.gz QZAZVZKHTNVGCC-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001418831899 906491349 /nfs/dbraw/zinc/49/13/49/906491349.db2.gz PQXBKZQZNHPPMV-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CC1(C(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001418901836 906510023 /nfs/dbraw/zinc/51/00/23/906510023.db2.gz LIFDMFQLQSCEIE-LBPRGKRZSA-N 2 1 296.415 -0.358 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@H]2CC[NH+](CCO)C2)C1 ZINC001418915792 906515536 /nfs/dbraw/zinc/51/55/36/906515536.db2.gz BCEYQHVVMJABTM-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@H]2CC[NH+](CCO)C2)C1 ZINC001418915792 906515553 /nfs/dbraw/zinc/51/55/53/906515553.db2.gz BCEYQHVVMJABTM-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@H]2CC[N@H+](CCO)C2)C1 ZINC001418915792 906515573 /nfs/dbraw/zinc/51/55/73/906515573.db2.gz BCEYQHVVMJABTM-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001418915792 906515587 /nfs/dbraw/zinc/51/55/87/906515587.db2.gz BCEYQHVVMJABTM-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+](CC(N)=O)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001418939660 906524454 /nfs/dbraw/zinc/52/44/54/906524454.db2.gz FRBUGUBLULWCGB-CYBMUJFWSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001418939660 906524466 /nfs/dbraw/zinc/52/44/66/906524466.db2.gz FRBUGUBLULWCGB-CYBMUJFWSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001418939660 906524480 /nfs/dbraw/zinc/52/44/80/906524480.db2.gz FRBUGUBLULWCGB-CYBMUJFWSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2CN(CC(=O)N(C)C)C2)C1 ZINC001419030460 906569592 /nfs/dbraw/zinc/56/95/92/906569592.db2.gz BRWFHHPOZDCKLY-GFCCVEGCSA-N 2 1 296.415 -0.536 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001419075486 906587350 /nfs/dbraw/zinc/58/73/50/906587350.db2.gz DVLRSURKGRJMRR-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001419075486 906587364 /nfs/dbraw/zinc/58/73/64/906587364.db2.gz DVLRSURKGRJMRR-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP CN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CC(N)=O)CC1 ZINC001419085015 906592647 /nfs/dbraw/zinc/59/26/47/906592647.db2.gz ZPMSWHDNJAGDSV-UHFFFAOYSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](CC(N)=O)CC1 ZINC001419085015 906592654 /nfs/dbraw/zinc/59/26/54/906592654.db2.gz ZPMSWHDNJAGDSV-UHFFFAOYSA-N 2 1 296.415 -0.121 20 0 CBADMP COCC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001419133094 906607868 /nfs/dbraw/zinc/60/78/68/906607868.db2.gz GJEGJMAYZKCCNQ-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001419143543 906612206 /nfs/dbraw/zinc/61/22/06/906612206.db2.gz WTDLTQPUVJAVJT-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001419143543 906612214 /nfs/dbraw/zinc/61/22/14/906612214.db2.gz WTDLTQPUVJAVJT-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001419143543 906612225 /nfs/dbraw/zinc/61/22/25/906612225.db2.gz WTDLTQPUVJAVJT-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001419143543 906612229 /nfs/dbraw/zinc/61/22/29/906612229.db2.gz WTDLTQPUVJAVJT-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001419173909 906625055 /nfs/dbraw/zinc/62/50/55/906625055.db2.gz LJKNPIZQYSKALB-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001419173909 906625058 /nfs/dbraw/zinc/62/50/58/906625058.db2.gz LJKNPIZQYSKALB-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H]([NH2+][C@@H](CC)CNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001419218955 906639968 /nfs/dbraw/zinc/63/99/68/906639968.db2.gz ORBMNHWXKZUJDU-NWDGAFQWSA-N 2 1 295.387 -0.060 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001419368642 906671913 /nfs/dbraw/zinc/67/19/13/906671913.db2.gz ZCCDYFNPKKMPPX-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001419394628 906676404 /nfs/dbraw/zinc/67/64/04/906676404.db2.gz XUFRMNRRYGLEIE-AVGNSLFASA-N 2 1 296.415 -0.158 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001419439264 906688593 /nfs/dbraw/zinc/68/85/93/906688593.db2.gz PKGJFYSUKNFWHA-HAQNSBGRSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]CC(=O)N(C)C ZINC001419474577 906697516 /nfs/dbraw/zinc/69/75/16/906697516.db2.gz ZUEGRICGXFAGQT-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CC(=O)N(C)C ZINC001419500907 906703452 /nfs/dbraw/zinc/70/34/52/906703452.db2.gz GOSFNNIHNKSHJX-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001419504205 906708525 /nfs/dbraw/zinc/70/85/25/906708525.db2.gz BUKJPBOCARLDRC-SDDRHHMPSA-N 2 1 282.388 -0.737 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001419520705 906713786 /nfs/dbraw/zinc/71/37/86/906713786.db2.gz XIQSQWKCZBNWTI-ZOWXZIJZSA-N 2 1 294.399 -0.545 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001419537525 906716817 /nfs/dbraw/zinc/71/68/17/906716817.db2.gz DUXBXNUAOCKDCM-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CC(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001419560192 906727660 /nfs/dbraw/zinc/72/76/60/906727660.db2.gz HCJQVBUHAVNBKB-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001419572568 906732352 /nfs/dbraw/zinc/73/23/52/906732352.db2.gz SNWMYWNAQMHBLE-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)CC[NH+](C)C ZINC001419707675 906774680 /nfs/dbraw/zinc/77/46/80/906774680.db2.gz JEQACODOXVSFSW-LLVKDONJSA-N 2 1 282.392 -0.297 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001419714319 906778673 /nfs/dbraw/zinc/77/86/73/906778673.db2.gz SFTFJXUURYAVHA-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001419714335 906780080 /nfs/dbraw/zinc/78/00/80/906780080.db2.gz SFTFJXUURYAVHA-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001419717123 906783466 /nfs/dbraw/zinc/78/34/66/906783466.db2.gz VZJSNKNKLZSDRT-JQWIXIFHSA-N 2 1 280.376 -0.496 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001419736750 906793535 /nfs/dbraw/zinc/79/35/35/906793535.db2.gz ALPJQOQCAYKAAB-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001419740914 906798231 /nfs/dbraw/zinc/79/82/31/906798231.db2.gz NNXFKUKNHAULNM-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419800692 906819859 /nfs/dbraw/zinc/81/98/59/906819859.db2.gz RZRGOFZQHNVHCA-STQMWFEESA-N 2 1 298.431 -0.195 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@H](C)C1 ZINC001419825560 906822622 /nfs/dbraw/zinc/82/26/22/906822622.db2.gz QEVVEAFESFWOMG-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@H](C)C1 ZINC001419825554 906824757 /nfs/dbraw/zinc/82/47/57/906824757.db2.gz QEVVEAFESFWOMG-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001419925290 906858398 /nfs/dbraw/zinc/85/83/98/906858398.db2.gz OQWYSAWTICYSEJ-WDEREUQCSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001419925290 906858413 /nfs/dbraw/zinc/85/84/13/906858413.db2.gz OQWYSAWTICYSEJ-WDEREUQCSA-N 2 1 280.376 -0.639 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001420010507 906895889 /nfs/dbraw/zinc/89/58/89/906895889.db2.gz IDSNOHISBMRZLL-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001420053283 906910593 /nfs/dbraw/zinc/91/05/93/906910593.db2.gz YCLFGVNBKZKSDG-ZDUSSCGKSA-N 2 1 298.387 -0.411 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001420053283 906910617 /nfs/dbraw/zinc/91/06/17/906910617.db2.gz YCLFGVNBKZKSDG-ZDUSSCGKSA-N 2 1 298.387 -0.411 20 0 CBADMP C[C@@H](CCNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]CCO ZINC001420089611 906928094 /nfs/dbraw/zinc/92/80/94/906928094.db2.gz BOYONRQHPFQAJW-JTQLQIEISA-N 2 1 284.360 -0.174 20 0 CBADMP Cc1conc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001420117751 906952434 /nfs/dbraw/zinc/95/24/34/906952434.db2.gz XWWHDGAZSORBAR-WCQYABFASA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1conc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001420117751 906952444 /nfs/dbraw/zinc/95/24/44/906952444.db2.gz XWWHDGAZSORBAR-WCQYABFASA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001420165400 906979589 /nfs/dbraw/zinc/97/95/89/906979589.db2.gz BMTIEOWIFIAXGJ-QWHCGFSZSA-N 2 1 296.371 -0.356 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001420162743 906980581 /nfs/dbraw/zinc/98/05/81/906980581.db2.gz XFOWXUKCSJTEER-QWHCGFSZSA-N 2 1 298.387 -0.110 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]C(C)C)C1 ZINC001420211746 907017189 /nfs/dbraw/zinc/01/71/89/907017189.db2.gz IXAFFVPMPWDWNE-NWDGAFQWSA-N 2 1 273.377 -0.818 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]C(C)C)C1 ZINC001420211746 907017207 /nfs/dbraw/zinc/01/72/07/907017207.db2.gz IXAFFVPMPWDWNE-NWDGAFQWSA-N 2 1 273.377 -0.818 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC2CCC2)C1 ZINC001420208005 907019159 /nfs/dbraw/zinc/01/91/59/907019159.db2.gz BDHQFVQFSLSXKY-KGLIPLIRSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC2CCC2)C1 ZINC001420208005 907019177 /nfs/dbraw/zinc/01/91/77/907019177.db2.gz BDHQFVQFSLSXKY-KGLIPLIRSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]C(C)C)C1 ZINC001420211752 907019854 /nfs/dbraw/zinc/01/98/54/907019854.db2.gz IXAFFVPMPWDWNE-VXGBXAGGSA-N 2 1 273.377 -0.818 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]C(C)C)C1 ZINC001420211752 907019873 /nfs/dbraw/zinc/01/98/73/907019873.db2.gz IXAFFVPMPWDWNE-VXGBXAGGSA-N 2 1 273.377 -0.818 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001420219981 907026352 /nfs/dbraw/zinc/02/63/52/907026352.db2.gz FDBCWHGKVBEMRI-CMPLNLGQSA-N 2 1 295.387 -0.190 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)[C@H]1CCC[N@H+]1C ZINC001420245702 907041989 /nfs/dbraw/zinc/04/19/89/907041989.db2.gz YEGDGKMSKMLYIT-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+](CCNC(=O)CC[NH+]1CCOCC1)C[C@H]1CCOC1 ZINC001420310482 907090600 /nfs/dbraw/zinc/09/06/00/907090600.db2.gz XCVVAPDJRLZGBN-CQSZACIVSA-N 2 1 299.415 -0.207 20 0 CBADMP C[N@@H+](CCNC(=O)CC[NH+]1CCOCC1)C[C@H]1CCOC1 ZINC001420310482 907090618 /nfs/dbraw/zinc/09/06/18/907090618.db2.gz XCVVAPDJRLZGBN-CQSZACIVSA-N 2 1 299.415 -0.207 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420372275 907124415 /nfs/dbraw/zinc/12/44/15/907124415.db2.gz QBRLNEREWCMRSR-UTUOFQBUSA-N 2 1 273.377 -0.960 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001420364621 907124571 /nfs/dbraw/zinc/12/45/71/907124571.db2.gz FQQHMIYNEAYYII-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001420449437 907167108 /nfs/dbraw/zinc/16/71/08/907167108.db2.gz UFLDCKBUBWQSNF-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCNC1=O ZINC001420449437 907167119 /nfs/dbraw/zinc/16/71/19/907167119.db2.gz UFLDCKBUBWQSNF-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC001420449437 907167125 /nfs/dbraw/zinc/16/71/25/907167125.db2.gz UFLDCKBUBWQSNF-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001420582812 907226736 /nfs/dbraw/zinc/22/67/36/907226736.db2.gz DWJULIPTNRHZKE-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001420582812 907226751 /nfs/dbraw/zinc/22/67/51/907226751.db2.gz DWJULIPTNRHZKE-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001420582812 907226764 /nfs/dbraw/zinc/22/67/64/907226764.db2.gz DWJULIPTNRHZKE-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001420582812 907226777 /nfs/dbraw/zinc/22/67/77/907226777.db2.gz DWJULIPTNRHZKE-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001420689387 907269163 /nfs/dbraw/zinc/26/91/63/907269163.db2.gz UWJYHKSJTUNAJY-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001420689387 907269176 /nfs/dbraw/zinc/26/91/76/907269176.db2.gz UWJYHKSJTUNAJY-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001420947601 907371377 /nfs/dbraw/zinc/37/13/77/907371377.db2.gz PSEHCUXDEBTQFG-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001420985686 907379709 /nfs/dbraw/zinc/37/97/09/907379709.db2.gz YKGJEXDGWCDJKI-GFCCVEGCSA-N 2 1 285.388 -0.672 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1 ZINC001421007156 907389946 /nfs/dbraw/zinc/38/99/46/907389946.db2.gz VUHYMZYCWNNJKP-NWDGAFQWSA-N 2 1 296.415 -0.027 20 0 CBADMP CC[C@H]([NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CC1)C(N)=O ZINC001421006039 907390606 /nfs/dbraw/zinc/39/06/06/907390606.db2.gz QJYJVPXVWLGLNW-NSHDSACASA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@@H](O)C[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001421173689 907450946 /nfs/dbraw/zinc/45/09/46/907450946.db2.gz SPSSLFQVAPFSBP-GFCCVEGCSA-N 2 1 285.388 -0.863 20 0 CBADMP CN1CC[C@H]([NH+]2CC(CNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001421170012 907452075 /nfs/dbraw/zinc/45/20/75/907452075.db2.gz INNHXNRELAUSOT-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001421306696 907484618 /nfs/dbraw/zinc/48/46/18/907484618.db2.gz AQSCYBMRKKUHRR-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001421306696 907484623 /nfs/dbraw/zinc/48/46/23/907484623.db2.gz AQSCYBMRKKUHRR-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@]1(CNC(=O)C[NH+]2CCCC2)CCC[N@@H+](CC(N)=O)C1 ZINC001421293326 907486072 /nfs/dbraw/zinc/48/60/72/907486072.db2.gz HKAYKNTUBPWFND-OAHLLOKOSA-N 2 1 296.415 -0.214 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001421356383 907507448 /nfs/dbraw/zinc/50/74/48/907507448.db2.gz ZHBGFFKCDCJYNA-DZGCQCFKSA-N 2 1 299.415 -0.596 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001421356383 907507469 /nfs/dbraw/zinc/50/74/69/907507469.db2.gz ZHBGFFKCDCJYNA-DZGCQCFKSA-N 2 1 299.415 -0.596 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001421356383 907507476 /nfs/dbraw/zinc/50/74/76/907507476.db2.gz ZHBGFFKCDCJYNA-DZGCQCFKSA-N 2 1 299.415 -0.596 20 0 CBADMP CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001421393345 907523178 /nfs/dbraw/zinc/52/31/78/907523178.db2.gz RZFZELYYXRPEPQ-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001421387339 907523603 /nfs/dbraw/zinc/52/36/03/907523603.db2.gz JSYHAPNHAYULFK-CQSZACIVSA-N 2 1 296.371 -0.609 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001421387339 907523615 /nfs/dbraw/zinc/52/36/15/907523615.db2.gz JSYHAPNHAYULFK-CQSZACIVSA-N 2 1 296.371 -0.609 20 0 CBADMP CC[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001421448812 907552749 /nfs/dbraw/zinc/55/27/49/907552749.db2.gz HVTDYXOBHSCCEC-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(C)C ZINC001421488715 907567581 /nfs/dbraw/zinc/56/75/81/907567581.db2.gz INLUGEGNBPTXBD-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCC2(O)C[NH+](CCC3CC3)C2)C1 ZINC001421499179 907569552 /nfs/dbraw/zinc/56/95/52/907569552.db2.gz LADXMGCYFIGBHJ-ZDUSSCGKSA-N 2 1 281.400 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2(O)C[NH+](CCC3CC3)C2)C1 ZINC001421499179 907569565 /nfs/dbraw/zinc/56/95/65/907569565.db2.gz LADXMGCYFIGBHJ-ZDUSSCGKSA-N 2 1 281.400 -0.099 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001421652344 907602996 /nfs/dbraw/zinc/60/29/96/907602996.db2.gz YIZRFECQSCGKPE-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)N(C)C ZINC001421688359 907614456 /nfs/dbraw/zinc/61/44/56/907614456.db2.gz DMMKCZCFCBZMOO-JHJVBQTASA-N 2 1 298.431 -0.243 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cnnn1C ZINC001421764183 907635058 /nfs/dbraw/zinc/63/50/58/907635058.db2.gz CZXURGVPPRIHEQ-NEPJUHHUSA-N 2 1 294.403 -0.391 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001421947626 907688196 /nfs/dbraw/zinc/68/81/96/907688196.db2.gz VFSSHAANCIEVRB-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001421947617 907688357 /nfs/dbraw/zinc/68/83/57/907688357.db2.gz VFSSHAANCIEVRB-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421989669 907697311 /nfs/dbraw/zinc/69/73/11/907697311.db2.gz MFQGJNSGBRIAGX-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421989669 907697329 /nfs/dbraw/zinc/69/73/29/907697329.db2.gz MFQGJNSGBRIAGX-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001421985225 907698044 /nfs/dbraw/zinc/69/80/44/907698044.db2.gz DYIRPZGKMVJWIA-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001421984624 907699593 /nfs/dbraw/zinc/69/95/93/907699593.db2.gz GXHYKKNQMZUALS-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421989681 907699889 /nfs/dbraw/zinc/69/98/89/907699889.db2.gz MFQGJNSGBRIAGX-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421989681 907699904 /nfs/dbraw/zinc/69/99/04/907699904.db2.gz MFQGJNSGBRIAGX-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001422042408 907706144 /nfs/dbraw/zinc/70/61/44/907706144.db2.gz DOHKWYIIFKCCAY-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001422172043 907739146 /nfs/dbraw/zinc/73/91/46/907739146.db2.gz IOWQQFITMPTIFN-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001422195792 907743100 /nfs/dbraw/zinc/74/31/00/907743100.db2.gz IAEYMONBTNSXLH-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001422195792 907743110 /nfs/dbraw/zinc/74/31/10/907743110.db2.gz IAEYMONBTNSXLH-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001422238519 907757877 /nfs/dbraw/zinc/75/78/77/907757877.db2.gz RMCQDGYWPGETTC-OLZOCXBDSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001422238519 907757888 /nfs/dbraw/zinc/75/78/88/907757888.db2.gz RMCQDGYWPGETTC-OLZOCXBDSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001422238519 907757895 /nfs/dbraw/zinc/75/78/95/907757895.db2.gz RMCQDGYWPGETTC-OLZOCXBDSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422238519 907757900 /nfs/dbraw/zinc/75/79/00/907757900.db2.gz RMCQDGYWPGETTC-OLZOCXBDSA-N 2 1 298.431 -0.195 20 0 CBADMP Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001422261448 907762389 /nfs/dbraw/zinc/76/23/89/907762389.db2.gz BMTIEOWIFIAXGJ-STQMWFEESA-N 2 1 296.371 -0.356 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1)C1CCC1 ZINC001422321123 907797657 /nfs/dbraw/zinc/79/76/57/907797657.db2.gz WPXRQGYGTOBIMD-JSGCOSHPSA-N 2 1 299.415 -0.426 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CC[N@@H+](C)CC ZINC001422456654 907867840 /nfs/dbraw/zinc/86/78/40/907867840.db2.gz ZJWCTMPNPVABED-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001422472677 907875078 /nfs/dbraw/zinc/87/50/78/907875078.db2.gz VXYQDFIXLRNPIM-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001422494222 907892575 /nfs/dbraw/zinc/89/25/75/907892575.db2.gz JHSOMWHVAMGAEP-MNOVXSKESA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422592008 907938465 /nfs/dbraw/zinc/93/84/65/907938465.db2.gz UXWKWIXAJOVKPR-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP COC[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001422607901 907940924 /nfs/dbraw/zinc/94/09/24/907940924.db2.gz XTNIRVDFKIGGAL-WCQYABFASA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001422607901 907940934 /nfs/dbraw/zinc/94/09/34/907940934.db2.gz XTNIRVDFKIGGAL-WCQYABFASA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001422654211 907969004 /nfs/dbraw/zinc/96/90/04/907969004.db2.gz ZBTGYTHXDLZLSX-QNWHQSFQSA-N 2 1 287.404 -0.572 20 0 CBADMP C[C@H](NC(=O)CCC[NH+](C)C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001422728753 907988017 /nfs/dbraw/zinc/98/80/17/907988017.db2.gz FAFARXJHVSNSCJ-WCQYABFASA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCCO)C2)C1 ZINC001502599467 921370703 /nfs/dbraw/zinc/37/07/03/921370703.db2.gz ADYOIWBVWBGXFE-DZGCQCFKSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001422813765 908020759 /nfs/dbraw/zinc/02/07/59/908020759.db2.gz VLPMLXLBSXUWBE-CMPLNLGQSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001422813765 908020779 /nfs/dbraw/zinc/02/07/79/908020779.db2.gz VLPMLXLBSXUWBE-CMPLNLGQSA-N 2 1 282.388 -0.750 20 0 CBADMP 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 908028885 /nfs/dbraw/zinc/02/88/85/908028885.db2.gz IFACEUWIYGEDKO-FVCCEPFGSA-N 2 1 296.415 -0.633 20 0 CBADMP COC[C@H](O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001422838907 908030274 /nfs/dbraw/zinc/03/02/74/908030274.db2.gz APTDCBOVISLTSJ-DGCLKSJQSA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001422838907 908030285 /nfs/dbraw/zinc/03/02/85/908030285.db2.gz APTDCBOVISLTSJ-DGCLKSJQSA-N 2 1 298.387 -0.365 20 0 CBADMP COCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001502616652 921373184 /nfs/dbraw/zinc/37/31/84/921373184.db2.gz VHUZNSWWJQSLNM-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCO)C1 ZINC001422846036 908033932 /nfs/dbraw/zinc/03/39/32/908033932.db2.gz AYFPNZHECRCLLY-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP CO[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001422887475 908047848 /nfs/dbraw/zinc/04/78/48/908047848.db2.gz GAXFWTHVZXCILO-AAVRWANBSA-N 2 1 299.415 -0.164 20 0 CBADMP CO[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001422887475 908047857 /nfs/dbraw/zinc/04/78/57/908047857.db2.gz GAXFWTHVZXCILO-AAVRWANBSA-N 2 1 299.415 -0.164 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H]1CCCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001422929374 908055883 /nfs/dbraw/zinc/05/58/83/908055883.db2.gz GGZLMTDQLAHICH-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H]1CCCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001422929377 908056541 /nfs/dbraw/zinc/05/65/41/908056541.db2.gz GGZLMTDQLAHICH-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001422917186 908060349 /nfs/dbraw/zinc/06/03/49/908060349.db2.gz KIQFASNZBIGZTD-SRVKXCTJSA-N 2 1 284.404 -0.315 20 0 CBADMP Cn1nnnc1C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001423026348 908080773 /nfs/dbraw/zinc/08/07/73/908080773.db2.gz MFTPFARLIVYLBT-LLVKDONJSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001423048076 908089671 /nfs/dbraw/zinc/08/96/71/908089671.db2.gz MHGGESOLBPNITM-RYUDHWBXSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001423048076 908089691 /nfs/dbraw/zinc/08/96/91/908089691.db2.gz MHGGESOLBPNITM-RYUDHWBXSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001423046298 908090551 /nfs/dbraw/zinc/09/05/51/908090551.db2.gz ADWKYPHCWKPPRO-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001423131271 908117311 /nfs/dbraw/zinc/11/73/11/908117311.db2.gz JJZRRBXDRSPGDZ-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001423131271 908117318 /nfs/dbraw/zinc/11/73/18/908117318.db2.gz JJZRRBXDRSPGDZ-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001423239001 908173697 /nfs/dbraw/zinc/17/36/97/908173697.db2.gz CMLMGTUDSHBGGY-NEPJUHHUSA-N 2 1 296.415 -0.027 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccccn1 ZINC001423301833 908195521 /nfs/dbraw/zinc/19/55/21/908195521.db2.gz NQOVFHHJHZPVSA-CQSZACIVSA-N 2 1 294.399 -0.012 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccccn1 ZINC001423301833 908195524 /nfs/dbraw/zinc/19/55/24/908195524.db2.gz NQOVFHHJHZPVSA-CQSZACIVSA-N 2 1 294.399 -0.012 20 0 CBADMP Cn1nncc1C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001423304814 908198005 /nfs/dbraw/zinc/19/80/05/908198005.db2.gz UYSXGIUNJAKDJY-LLVKDONJSA-N 2 1 292.387 -0.495 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001423317816 908203002 /nfs/dbraw/zinc/20/30/02/908203002.db2.gz KOLNHKHSLYAMAY-UPJWGTAASA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001423317816 908203015 /nfs/dbraw/zinc/20/30/15/908203015.db2.gz KOLNHKHSLYAMAY-UPJWGTAASA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCCO)CC[N@H+]1C ZINC001507478401 921843351 /nfs/dbraw/zinc/84/33/51/921843351.db2.gz IDXSHHCTLYEJOM-FRRDWIJNSA-N 2 1 287.404 -0.882 20 0 CBADMP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001423569629 908287411 /nfs/dbraw/zinc/28/74/11/908287411.db2.gz OASPXQQBVJUPSI-DOMZBBRYSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001423569629 908287427 /nfs/dbraw/zinc/28/74/27/908287427.db2.gz OASPXQQBVJUPSI-DOMZBBRYSA-N 2 1 298.431 -0.005 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001423592098 908290449 /nfs/dbraw/zinc/29/04/49/908290449.db2.gz JICLSXRFLGFEKR-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC(N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001502846077 921397667 /nfs/dbraw/zinc/39/76/67/921397667.db2.gz UXJJAEUAKSDXAV-UHFFFAOYSA-N 2 1 298.431 -0.587 20 0 CBADMP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@H](C)O ZINC001423641221 908300328 /nfs/dbraw/zinc/30/03/28/908300328.db2.gz LAWQJEKCFMELJD-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@H](C)O ZINC001423641221 908300344 /nfs/dbraw/zinc/30/03/44/908300344.db2.gz LAWQJEKCFMELJD-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@H](C)O ZINC001423641221 908300356 /nfs/dbraw/zinc/30/03/56/908300356.db2.gz LAWQJEKCFMELJD-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001423672827 908301604 /nfs/dbraw/zinc/30/16/04/908301604.db2.gz IXOCASZPCWMWMG-WXRRBKDZSA-N 2 1 296.415 -0.204 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001423980137 908375425 /nfs/dbraw/zinc/37/54/25/908375425.db2.gz MJZPBHSQIWTOOF-BETUJISGSA-N 2 1 296.415 -0.536 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@@H](C)O)CCC2)C1 ZINC001424212881 908422627 /nfs/dbraw/zinc/42/26/27/908422627.db2.gz GPNFSMLICAZXEL-CHWSQXEVSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@@H](C)O)CCC2)C1 ZINC001424212881 908422637 /nfs/dbraw/zinc/42/26/37/908422637.db2.gz GPNFSMLICAZXEL-CHWSQXEVSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001424408313 908454338 /nfs/dbraw/zinc/45/43/38/908454338.db2.gz IRGSZQSKGHOMLF-UKRRQHHQSA-N 2 1 299.415 -0.736 20 0 CBADMP CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001424409684 908456513 /nfs/dbraw/zinc/45/65/13/908456513.db2.gz QUSSBOPRPVFDFT-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001424409684 908456523 /nfs/dbraw/zinc/45/65/23/908456523.db2.gz QUSSBOPRPVFDFT-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001424528712 908465880 /nfs/dbraw/zinc/46/58/80/908465880.db2.gz GRZTYWXPULDRIF-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001424528712 908465894 /nfs/dbraw/zinc/46/58/94/908465894.db2.gz GRZTYWXPULDRIF-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(CC(N)=O)[C@H](C)C1 ZINC001424554582 908468659 /nfs/dbraw/zinc/46/86/59/908468659.db2.gz WHAUJRRRAKJACX-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)[C@H](C)C1 ZINC001424554582 908468670 /nfs/dbraw/zinc/46/86/70/908468670.db2.gz WHAUJRRRAKJACX-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)[C@H](C)C1 ZINC001424554582 908468681 /nfs/dbraw/zinc/46/86/81/908468681.db2.gz WHAUJRRRAKJACX-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC001424554582 908468689 /nfs/dbraw/zinc/46/86/89/908468689.db2.gz WHAUJRRRAKJACX-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC2(CO)CC[NH+](CCO)CC2)C1 ZINC001424656821 908483480 /nfs/dbraw/zinc/48/34/80/908483480.db2.gz HQBRDZHOJRQBMX-ZDUSSCGKSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001424802390 908508404 /nfs/dbraw/zinc/50/84/04/908508404.db2.gz GYMBSDFVTRWXED-MNOVXSKESA-N 2 1 286.420 -0.068 20 0 CBADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)[C@@H](C)C(N)=O ZINC001425009094 908548986 /nfs/dbraw/zinc/54/89/86/908548986.db2.gz ZQWKAISWJBDSCD-QWRGUYRKSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001425009094 908548993 /nfs/dbraw/zinc/54/89/93/908548993.db2.gz ZQWKAISWJBDSCD-QWRGUYRKSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001425009419 908550157 /nfs/dbraw/zinc/55/01/57/908550157.db2.gz JZXCSWIPCZCALF-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001425020310 908552021 /nfs/dbraw/zinc/55/20/21/908552021.db2.gz BVZPGGUQLSVHHD-QWRGUYRKSA-N 2 1 272.393 -0.491 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001425020310 908552032 /nfs/dbraw/zinc/55/20/32/908552032.db2.gz BVZPGGUQLSVHHD-QWRGUYRKSA-N 2 1 272.393 -0.491 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)CC(N)=O ZINC001425010565 908552979 /nfs/dbraw/zinc/55/29/79/908552979.db2.gz LUDGGLARMCBTQC-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CC(N)=O ZINC001425010565 908552956 /nfs/dbraw/zinc/55/29/56/908552956.db2.gz LUDGGLARMCBTQC-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)CC(N)=O ZINC001425010565 908552963 /nfs/dbraw/zinc/55/29/63/908552963.db2.gz LUDGGLARMCBTQC-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)CC(N)=O ZINC001425010565 908552970 /nfs/dbraw/zinc/55/29/70/908552970.db2.gz LUDGGLARMCBTQC-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)CC(=O)NC ZINC001425030772 908558354 /nfs/dbraw/zinc/55/83/54/908558354.db2.gz OBKPOCCKXSUWAF-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)CC(=O)NC ZINC001425030772 908558362 /nfs/dbraw/zinc/55/83/62/908558362.db2.gz OBKPOCCKXSUWAF-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC ZINC001425030772 908558372 /nfs/dbraw/zinc/55/83/72/908558372.db2.gz OBKPOCCKXSUWAF-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC ZINC001425030772 908558376 /nfs/dbraw/zinc/55/83/76/908558376.db2.gz OBKPOCCKXSUWAF-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H]1CCNC1=O ZINC001425047815 908559194 /nfs/dbraw/zinc/55/91/94/908559194.db2.gz ACOJMNWXBGRPFB-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC001425047815 908559201 /nfs/dbraw/zinc/55/92/01/908559201.db2.gz ACOJMNWXBGRPFB-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001425047815 908559206 /nfs/dbraw/zinc/55/92/06/908559206.db2.gz ACOJMNWXBGRPFB-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP COCC[N@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001425048520 908560611 /nfs/dbraw/zinc/56/06/11/908560611.db2.gz ZUTRKHOEHQCLHY-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP COCC[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001425048520 908560623 /nfs/dbraw/zinc/56/06/23/908560623.db2.gz ZUTRKHOEHQCLHY-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC(C)[C@@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001425166752 908580785 /nfs/dbraw/zinc/58/07/85/908580785.db2.gz VGRUQJGIPMIPOV-QWHCGFSZSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@H](NC(=O)CCC[NH+](C)C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001425246997 908591670 /nfs/dbraw/zinc/59/16/70/908591670.db2.gz CURXBNHSTCHXJT-QWRGUYRKSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCO)C1 ZINC001425353912 908627816 /nfs/dbraw/zinc/62/78/16/908627816.db2.gz DQUXYZWKMYVOGY-QWHCGFSZSA-N 2 1 287.404 -0.476 20 0 CBADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001425505464 908661273 /nfs/dbraw/zinc/66/12/73/908661273.db2.gz IYSNXTRFBJXAAW-OLZOCXBDSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001425548234 908672896 /nfs/dbraw/zinc/67/28/96/908672896.db2.gz PODDTMMWVHIQPT-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001425656578 908687009 /nfs/dbraw/zinc/68/70/09/908687009.db2.gz OJXZYBLKTANZQO-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001425666312 908689062 /nfs/dbraw/zinc/68/90/62/908689062.db2.gz UVFUGVIPJCGSAM-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001425666305 908689699 /nfs/dbraw/zinc/68/96/99/908689699.db2.gz UVFUGVIPJCGSAM-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCO)C1 ZINC001425704053 908696207 /nfs/dbraw/zinc/69/62/07/908696207.db2.gz XMSNWHPYFWMNEC-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCO)C1 ZINC001425704053 908696214 /nfs/dbraw/zinc/69/62/14/908696214.db2.gz XMSNWHPYFWMNEC-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCCO)C1 ZINC001505488073 921431667 /nfs/dbraw/zinc/43/16/67/921431667.db2.gz WMDXOLLYIHEDBH-BPCQOVAHSA-N 2 1 269.389 -0.053 20 0 CBADMP O=C(NC[C@H](CO)[NH2+]CCO)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001425751193 908725891 /nfs/dbraw/zinc/72/58/91/908725891.db2.gz IVAPVLIYUJSSOK-OCCSQVGLSA-N 2 1 299.415 -0.548 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001425803648 908744655 /nfs/dbraw/zinc/74/46/55/908744655.db2.gz OMDXOMDTVSYWDP-YPMHNXCESA-N 2 1 298.387 -0.110 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC2CC2)C1 ZINC001425842537 908762322 /nfs/dbraw/zinc/76/23/22/908762322.db2.gz QIKUEQMIWWEDBH-CHWSQXEVSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC2CC2)C1 ZINC001425842537 908762334 /nfs/dbraw/zinc/76/23/34/908762334.db2.gz QIKUEQMIWWEDBH-CHWSQXEVSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001425881306 908771590 /nfs/dbraw/zinc/77/15/90/908771590.db2.gz JXMIZYFZWNSJBD-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@H]1C ZINC001425883418 908775910 /nfs/dbraw/zinc/77/59/10/908775910.db2.gz DQEFVMUHIMRXFH-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001425917570 908783151 /nfs/dbraw/zinc/78/31/51/908783151.db2.gz ONPLISFYZCBUSY-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001425978969 908793102 /nfs/dbraw/zinc/79/31/02/908793102.db2.gz XFRRXNQBMXXDBK-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccon1 ZINC001426058979 908813250 /nfs/dbraw/zinc/81/32/50/908813250.db2.gz WQRNUFVIJIQKBG-ZDUSSCGKSA-N 2 1 298.387 -0.076 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccon1 ZINC001426058979 908813263 /nfs/dbraw/zinc/81/32/63/908813263.db2.gz WQRNUFVIJIQKBG-ZDUSSCGKSA-N 2 1 298.387 -0.076 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001426059573 908813420 /nfs/dbraw/zinc/81/34/20/908813420.db2.gz PGZUTVSLCZQYAH-OLZOCXBDSA-N 2 1 287.404 -0.524 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001426059573 908813425 /nfs/dbraw/zinc/81/34/25/908813425.db2.gz PGZUTVSLCZQYAH-OLZOCXBDSA-N 2 1 287.404 -0.524 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001426059573 908813448 /nfs/dbraw/zinc/81/34/48/908813448.db2.gz PGZUTVSLCZQYAH-OLZOCXBDSA-N 2 1 287.404 -0.524 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001426059573 908813459 /nfs/dbraw/zinc/81/34/59/908813459.db2.gz PGZUTVSLCZQYAH-OLZOCXBDSA-N 2 1 287.404 -0.524 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001426076882 908822974 /nfs/dbraw/zinc/82/29/74/908822974.db2.gz KLUGHLXWQYPZTQ-KBPBESRZSA-N 2 1 299.415 -0.928 20 0 CBADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001426238046 908851082 /nfs/dbraw/zinc/85/10/82/908851082.db2.gz JGWWHPSBDHBVSB-UNXYVOJBSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@H](O)C[NH2+]C1CC(N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001426232779 908851332 /nfs/dbraw/zinc/85/13/32/908851332.db2.gz OZEGPPPLOYZMPA-HSBZDZAISA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001430205568 909311925 /nfs/dbraw/zinc/31/19/25/909311925.db2.gz CYRWWTHNUQZRKB-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001430205568 909311937 /nfs/dbraw/zinc/31/19/37/909311937.db2.gz CYRWWTHNUQZRKB-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001430205568 909311959 /nfs/dbraw/zinc/31/19/59/909311959.db2.gz CYRWWTHNUQZRKB-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001431471191 909477825 /nfs/dbraw/zinc/47/78/25/909477825.db2.gz GTQJGKKWUYQVGH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001505936249 921506463 /nfs/dbraw/zinc/50/64/63/921506463.db2.gz XRMSBMFVGPAVHY-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001432274164 909601600 /nfs/dbraw/zinc/60/16/00/909601600.db2.gz SVXKLQGEEXBJMQ-ZDUSSCGKSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001432274164 909601610 /nfs/dbraw/zinc/60/16/10/909601610.db2.gz SVXKLQGEEXBJMQ-ZDUSSCGKSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001432274164 909601622 /nfs/dbraw/zinc/60/16/22/909601622.db2.gz SVXKLQGEEXBJMQ-ZDUSSCGKSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[NH+](C)CCC(=O)NC1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001432349112 909610553 /nfs/dbraw/zinc/61/05/53/909610553.db2.gz QPWCHTKWYVGPHZ-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001505993039 921522390 /nfs/dbraw/zinc/52/23/90/921522390.db2.gz NBEJODDZYHTKEK-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001505993039 921522399 /nfs/dbraw/zinc/52/23/99/921522399.db2.gz NBEJODDZYHTKEK-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP C[C@H](CC[NH+](C)C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001433661903 909805408 /nfs/dbraw/zinc/80/54/08/909805408.db2.gz BMZSENBASVKDSU-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@]3(O)CCOC3)C2)CC1 ZINC001433667441 909806532 /nfs/dbraw/zinc/80/65/32/909806532.db2.gz AFUUCHYXPWSJQL-SWLSCSKDSA-N 2 1 297.399 -0.578 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@]3(O)CCOC3)C2)CC1 ZINC001433667441 909806547 /nfs/dbraw/zinc/80/65/47/909806547.db2.gz AFUUCHYXPWSJQL-SWLSCSKDSA-N 2 1 297.399 -0.578 20 0 CBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@]3(O)CCOC3)C2)CC1 ZINC001433667423 909808802 /nfs/dbraw/zinc/80/88/02/909808802.db2.gz AFUUCHYXPWSJQL-DOMZBBRYSA-N 2 1 297.399 -0.578 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@]3(O)CCOC3)C2)CC1 ZINC001433667423 909808816 /nfs/dbraw/zinc/80/88/16/909808816.db2.gz AFUUCHYXPWSJQL-DOMZBBRYSA-N 2 1 297.399 -0.578 20 0 CBADMP C[NH+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001506070410 921532402 /nfs/dbraw/zinc/53/24/02/921532402.db2.gz ODRWRGRGWKQXKE-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H]1CCNC1=O ZINC001506065069 921534182 /nfs/dbraw/zinc/53/41/82/921534182.db2.gz IPAZYADSWGGIGG-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC001506065069 921534193 /nfs/dbraw/zinc/53/41/93/921534193.db2.gz IPAZYADSWGGIGG-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001506065069 921534204 /nfs/dbraw/zinc/53/42/04/921534204.db2.gz IPAZYADSWGGIGG-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001434383602 910143880 /nfs/dbraw/zinc/14/38/80/910143880.db2.gz HIXVTMSLGSNQGQ-SWLSCSKDSA-N 2 1 297.399 -0.578 20 0 CBADMP CO[C@@H](C)CN1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001506141537 921552736 /nfs/dbraw/zinc/55/27/36/921552736.db2.gz YFKYFHAJQJKYDN-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001436400947 910438766 /nfs/dbraw/zinc/43/87/66/910438766.db2.gz DBBLJZPRCPTCLX-SRVKXCTJSA-N 2 1 284.404 -0.315 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001436931474 910509557 /nfs/dbraw/zinc/50/95/57/910509557.db2.gz RDFJHVCFKDOZIM-XYPYZODXSA-N 2 1 279.344 -0.826 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001436923444 910510198 /nfs/dbraw/zinc/51/01/98/910510198.db2.gz DLSVITQEENYJRR-XYPYZODXSA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)N(C)C ZINC001436945949 910514580 /nfs/dbraw/zinc/51/45/80/910514580.db2.gz QZHBFAAIMDNIOB-RVMXOQNASA-N 2 1 296.415 -0.206 20 0 CBADMP 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 910522522 /nfs/dbraw/zinc/52/25/22/910522522.db2.gz ZHMVXDSUQRGLBT-XQHKEYJVSA-N 2 1 296.415 -0.348 20 0 CBADMP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cn(C)nn1 ZINC001437144243 910566680 /nfs/dbraw/zinc/56/66/80/910566680.db2.gz JGQQNRFOTDNCBU-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cn(C)nn1 ZINC001437144243 910566694 /nfs/dbraw/zinc/56/66/94/910566694.db2.gz JGQQNRFOTDNCBU-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCN1CCNC1=O ZINC001437263155 910601787 /nfs/dbraw/zinc/60/17/87/910601787.db2.gz RKGSDQJHJMPDLB-RYUDHWBXSA-N 2 1 297.403 -0.942 20 0 CBADMP CC[C@H]([NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C)C(N)=O ZINC001437264733 910603356 /nfs/dbraw/zinc/60/33/56/910603356.db2.gz XETFUZMQYBMMGO-QWRGUYRKSA-N 2 1 272.393 -0.315 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001437289363 910605568 /nfs/dbraw/zinc/60/55/68/910605568.db2.gz IGTHMYHXDPVPAM-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001437290312 910606253 /nfs/dbraw/zinc/60/62/53/910606253.db2.gz HJIAVEYKXACXFT-ZDUSSCGKSA-N 2 1 294.403 -0.191 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001437299068 910609062 /nfs/dbraw/zinc/60/90/62/910609062.db2.gz DXFAXDPWNZTEON-OLZOCXBDSA-N 2 1 296.415 -0.217 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001437326150 910613272 /nfs/dbraw/zinc/61/32/72/910613272.db2.gz NEOCPTGTNFVDFS-STQMWFEESA-N 2 1 296.415 -0.536 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@H](C)C(=O)NC)CC[N@@H+]1C ZINC001437462675 910648296 /nfs/dbraw/zinc/64/82/96/910648296.db2.gz JSDVRUAPGDKPTL-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@H](C)C(=O)NC)CC[N@H+]1C ZINC001437462675 910648312 /nfs/dbraw/zinc/64/83/12/910648312.db2.gz JSDVRUAPGDKPTL-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC)CC[NH+]1C ZINC001437462675 910648325 /nfs/dbraw/zinc/64/83/25/910648325.db2.gz JSDVRUAPGDKPTL-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC)CC[NH+]1C ZINC001437462675 910648336 /nfs/dbraw/zinc/64/83/36/910648336.db2.gz JSDVRUAPGDKPTL-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001437505848 910667902 /nfs/dbraw/zinc/66/79/02/910667902.db2.gz HNFKAOJBKCWRFS-XQQFMLRXSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001437505848 910667906 /nfs/dbraw/zinc/66/79/06/910667906.db2.gz HNFKAOJBKCWRFS-XQQFMLRXSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001437505848 910667913 /nfs/dbraw/zinc/66/79/13/910667913.db2.gz HNFKAOJBKCWRFS-XQQFMLRXSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001437505848 910667917 /nfs/dbraw/zinc/66/79/17/910667917.db2.gz HNFKAOJBKCWRFS-XQQFMLRXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O)[NH+](C)C ZINC001437515905 910672545 /nfs/dbraw/zinc/67/25/45/910672545.db2.gz FQIJAFKNVFWJRR-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O)[NH+](C)C ZINC001437515905 910672556 /nfs/dbraw/zinc/67/25/56/910672556.db2.gz FQIJAFKNVFWJRR-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@@H](C)C(N)=O ZINC001437599060 910695415 /nfs/dbraw/zinc/69/54/15/910695415.db2.gz QZJLROTVAIXYGA-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@@H](C)C(N)=O ZINC001437599060 910695423 /nfs/dbraw/zinc/69/54/23/910695423.db2.gz QZJLROTVAIXYGA-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)N1CCC1 ZINC001437646456 910704897 /nfs/dbraw/zinc/70/48/97/910704897.db2.gz AJJVXWWDMPUJIT-UHFFFAOYSA-N 2 1 296.415 -0.247 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)N1CCC1 ZINC001437646456 910704911 /nfs/dbraw/zinc/70/49/11/910704911.db2.gz AJJVXWWDMPUJIT-UHFFFAOYSA-N 2 1 296.415 -0.247 20 0 CBADMP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(=O)N(C)C ZINC001437637327 910707303 /nfs/dbraw/zinc/70/73/03/910707303.db2.gz GIHTZDVDCJWGHI-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(=O)N(C)C ZINC001437637327 910707317 /nfs/dbraw/zinc/70/73/17/910707317.db2.gz GIHTZDVDCJWGHI-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001437682885 910718601 /nfs/dbraw/zinc/71/86/01/910718601.db2.gz SJRCTQTXRITQGC-CYBMUJFWSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001437682885 910718611 /nfs/dbraw/zinc/71/86/11/910718611.db2.gz SJRCTQTXRITQGC-CYBMUJFWSA-N 2 1 296.415 -0.216 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001437720695 910733163 /nfs/dbraw/zinc/73/31/63/910733163.db2.gz GIMJKNJCHJOUPO-CQSZACIVSA-N 2 1 299.415 -0.471 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CC[N@H+](CCCO)C1 ZINC001437720695 910733176 /nfs/dbraw/zinc/73/31/76/910733176.db2.gz GIMJKNJCHJOUPO-CQSZACIVSA-N 2 1 299.415 -0.471 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O)[NH+](C)C ZINC001437791711 910746911 /nfs/dbraw/zinc/74/69/11/910746911.db2.gz IENFXNQKSAFLEJ-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O)[NH+](C)C ZINC001437791711 910746925 /nfs/dbraw/zinc/74/69/25/910746925.db2.gz IENFXNQKSAFLEJ-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+](CC(N)=O)C2CC2)C1 ZINC001437817570 910756442 /nfs/dbraw/zinc/75/64/42/910756442.db2.gz QZPXPOVYDIUOII-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH+](CC(N)=O)C2CC2)C1 ZINC001437817570 910756451 /nfs/dbraw/zinc/75/64/51/910756451.db2.gz QZPXPOVYDIUOII-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCC[N@H+](CC(N)=O)C2CC2)C1 ZINC001437817570 910756464 /nfs/dbraw/zinc/75/64/64/910756464.db2.gz QZPXPOVYDIUOII-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCC[N@@H+](CC(N)=O)C2CC2)C1 ZINC001437817570 910756478 /nfs/dbraw/zinc/75/64/78/910756478.db2.gz QZPXPOVYDIUOII-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001437842046 910767850 /nfs/dbraw/zinc/76/78/50/910767850.db2.gz IGEUBTUCQKDGHI-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001437939326 910777699 /nfs/dbraw/zinc/77/76/99/910777699.db2.gz FYWKEKVILHDDAT-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001437935147 910780167 /nfs/dbraw/zinc/78/01/67/910780167.db2.gz AFAPFMLDKUZVPI-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001437952041 910786317 /nfs/dbraw/zinc/78/63/17/910786317.db2.gz YYWZOIYQJDZDMF-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001437952041 910786351 /nfs/dbraw/zinc/78/63/51/910786351.db2.gz YYWZOIYQJDZDMF-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001437952041 910786367 /nfs/dbraw/zinc/78/63/67/910786367.db2.gz YYWZOIYQJDZDMF-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP C[N@H+](CCO)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001437991540 910791091 /nfs/dbraw/zinc/79/10/91/910791091.db2.gz UOANCKIYPPOQOZ-AWEZNQCLSA-N 2 1 299.415 -0.520 20 0 CBADMP C[N@@H+](CCO)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001437991540 910791105 /nfs/dbraw/zinc/79/11/05/910791105.db2.gz UOANCKIYPPOQOZ-AWEZNQCLSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCO)CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001437991540 910791116 /nfs/dbraw/zinc/79/11/16/910791116.db2.gz UOANCKIYPPOQOZ-AWEZNQCLSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCO)CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001437991540 910791131 /nfs/dbraw/zinc/79/11/31/910791131.db2.gz UOANCKIYPPOQOZ-AWEZNQCLSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[C@H](C(=O)NCC1C[NH+]([C@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001438156796 910832505 /nfs/dbraw/zinc/83/25/05/910832505.db2.gz GGFGMWIJQMVNFT-DGCLKSJQSA-N 2 1 298.431 -0.149 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001438269998 910856433 /nfs/dbraw/zinc/85/64/33/910856433.db2.gz VWABEVMYLDOTIP-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001438269998 910856450 /nfs/dbraw/zinc/85/64/50/910856450.db2.gz VWABEVMYLDOTIP-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC(=O)NC ZINC001438349285 910884646 /nfs/dbraw/zinc/88/46/46/910884646.db2.gz SZQXHTLRSHJMSL-AVGNSLFASA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](O)C[NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001438543230 910918156 /nfs/dbraw/zinc/91/81/56/910918156.db2.gz ZRXQNQILZOXRTF-OLZOCXBDSA-N 2 1 287.404 -0.569 20 0 CBADMP C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001438637603 910941005 /nfs/dbraw/zinc/94/10/05/910941005.db2.gz OZIYIXPGCSIZEV-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001438865692 910982505 /nfs/dbraw/zinc/98/25/05/910982505.db2.gz OHVMDALETHYHOS-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001438865692 910982522 /nfs/dbraw/zinc/98/25/22/910982522.db2.gz OHVMDALETHYHOS-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438865692 910982531 /nfs/dbraw/zinc/98/25/31/910982531.db2.gz OHVMDALETHYHOS-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001438865692 910982549 /nfs/dbraw/zinc/98/25/49/910982549.db2.gz OHVMDALETHYHOS-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001438964555 911021629 /nfs/dbraw/zinc/02/16/29/911021629.db2.gz PDBWCNOVFCDGEL-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001438980353 911029822 /nfs/dbraw/zinc/02/98/22/911029822.db2.gz HWWZNBGSIVKETN-NEPJUHHUSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001438980473 911031613 /nfs/dbraw/zinc/03/16/13/911031613.db2.gz HWWZNBGSIVKETN-RYUDHWBXSA-N 2 1 296.371 -0.356 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)CC[N@@H+]1C ZINC001438992411 911042334 /nfs/dbraw/zinc/04/23/34/911042334.db2.gz RVBUITULAXHAFS-KGYLQXTDSA-N 2 1 296.371 -0.419 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)CC[N@H+]1C ZINC001438992411 911042353 /nfs/dbraw/zinc/04/23/53/911042353.db2.gz RVBUITULAXHAFS-KGYLQXTDSA-N 2 1 296.371 -0.419 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001439017464 911054829 /nfs/dbraw/zinc/05/48/29/911054829.db2.gz GBRJYNVOXSVMHV-VXGBXAGGSA-N 2 1 289.420 -0.588 20 0 CBADMP Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001439049076 911075422 /nfs/dbraw/zinc/07/54/22/911075422.db2.gz WXJUCRQNIGNNDE-RYUDHWBXSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001439049076 911075440 /nfs/dbraw/zinc/07/54/40/911075440.db2.gz WXJUCRQNIGNNDE-RYUDHWBXSA-N 2 1 296.371 -0.499 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439083909 911094893 /nfs/dbraw/zinc/09/48/93/911094893.db2.gz MDXAVIVUWANGJZ-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001439125657 911111801 /nfs/dbraw/zinc/11/18/01/911111801.db2.gz DJGOLXREFOAODR-VXGBXAGGSA-N 2 1 284.404 -0.314 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001439161077 911120954 /nfs/dbraw/zinc/12/09/54/911120954.db2.gz JJAHJEGOKDCIRU-LLVKDONJSA-N 2 1 295.387 -0.188 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001439182910 911127621 /nfs/dbraw/zinc/12/76/21/911127621.db2.gz WIDKIZOARHBKQE-SNVBAGLBSA-N 2 1 283.380 -0.855 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001439182910 911127640 /nfs/dbraw/zinc/12/76/40/911127640.db2.gz WIDKIZOARHBKQE-SNVBAGLBSA-N 2 1 283.380 -0.855 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001439251308 911152751 /nfs/dbraw/zinc/15/27/51/911152751.db2.gz DZHRAOPEOOCYBV-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001439257282 911153039 /nfs/dbraw/zinc/15/30/39/911153039.db2.gz YYUXKXNTISXRDE-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439283446 911166495 /nfs/dbraw/zinc/16/64/95/911166495.db2.gz RNYFKLYSMWVLNB-WDEREUQCSA-N 2 1 270.377 -0.832 20 0 CBADMP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001506907248 921640129 /nfs/dbraw/zinc/64/01/29/921640129.db2.gz ZOUQDHYKRAKQPS-LPWJVIDDSA-N 2 1 296.415 -0.314 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439370071 911193158 /nfs/dbraw/zinc/19/31/58/911193158.db2.gz OBSBLZRXRPOITQ-RYUDHWBXSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439370071 911193162 /nfs/dbraw/zinc/19/31/62/911193162.db2.gz OBSBLZRXRPOITQ-RYUDHWBXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)C(=O)NC ZINC001439390780 911199119 /nfs/dbraw/zinc/19/91/19/911199119.db2.gz WIJUAHLPQLIKDI-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)C(=O)NC ZINC001439390780 911199124 /nfs/dbraw/zinc/19/91/24/911199124.db2.gz WIJUAHLPQLIKDI-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)NC ZINC001439390780 911199128 /nfs/dbraw/zinc/19/91/28/911199128.db2.gz WIJUAHLPQLIKDI-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)NC ZINC001439390780 911199135 /nfs/dbraw/zinc/19/91/35/911199135.db2.gz WIJUAHLPQLIKDI-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001439404143 911203470 /nfs/dbraw/zinc/20/34/70/911203470.db2.gz FPBSZXPIPIFWKX-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001439404143 911203483 /nfs/dbraw/zinc/20/34/83/911203483.db2.gz FPBSZXPIPIFWKX-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001439460991 911217951 /nfs/dbraw/zinc/21/79/51/911217951.db2.gz ZBHOYYSNTVANRS-QWHCGFSZSA-N 2 1 296.415 -0.170 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001439480096 911218947 /nfs/dbraw/zinc/21/89/47/911218947.db2.gz XYYCIOKZHKQFBU-HZSPNIEDSA-N 2 1 299.415 -0.428 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001439492461 911221126 /nfs/dbraw/zinc/22/11/26/911221126.db2.gz DFZQLKZDZKNZEM-CYBMUJFWSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC)CC1 ZINC001439614326 911258629 /nfs/dbraw/zinc/25/86/29/911258629.db2.gz WXVUWLZDXCLKMA-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001439627515 911259917 /nfs/dbraw/zinc/25/99/17/911259917.db2.gz JZBCDZRFDAICKM-LLVKDONJSA-N 2 1 293.371 -0.436 20 0 CBADMP C[NH+](C)CCC(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001439826656 911294102 /nfs/dbraw/zinc/29/41/02/911294102.db2.gz CFCZNVJCXPMZFT-AWEZNQCLSA-N 2 1 298.431 -0.851 20 0 CBADMP C[C@H](O)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001439843747 911296710 /nfs/dbraw/zinc/29/67/10/911296710.db2.gz BPJPXXKHUHKLHC-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001439843747 911296716 /nfs/dbraw/zinc/29/67/16/911296716.db2.gz BPJPXXKHUHKLHC-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001439872611 911306010 /nfs/dbraw/zinc/30/60/10/911306010.db2.gz MZTRUICWHDOPTQ-DOMZBBRYSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001439872611 911306031 /nfs/dbraw/zinc/30/60/31/911306031.db2.gz MZTRUICWHDOPTQ-DOMZBBRYSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001439872611 911306051 /nfs/dbraw/zinc/30/60/51/911306051.db2.gz MZTRUICWHDOPTQ-DOMZBBRYSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001439872611 911306073 /nfs/dbraw/zinc/30/60/73/911306073.db2.gz MZTRUICWHDOPTQ-DOMZBBRYSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCCF)C2)C1 ZINC001440023573 911351744 /nfs/dbraw/zinc/35/17/44/911351744.db2.gz NEPXNHAYNAXMCZ-TZMCWYRMSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CCCF)C2)C1 ZINC001440023573 911351764 /nfs/dbraw/zinc/35/17/64/911351764.db2.gz NEPXNHAYNAXMCZ-TZMCWYRMSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCF)C2)C1 ZINC001440023573 911351792 /nfs/dbraw/zinc/35/17/92/911351792.db2.gz NEPXNHAYNAXMCZ-TZMCWYRMSA-N 2 1 287.379 -0.149 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001440315548 911428612 /nfs/dbraw/zinc/42/86/12/911428612.db2.gz FDIIRQDUWSZPSR-RWMBFGLXSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001440432248 911451547 /nfs/dbraw/zinc/45/15/47/911451547.db2.gz UZQAAHNZFVLIGD-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001440432256 911452753 /nfs/dbraw/zinc/45/27/53/911452753.db2.gz UZQAAHNZFVLIGD-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001440485445 911463277 /nfs/dbraw/zinc/46/32/77/911463277.db2.gz VIIUEKFIRSIKGX-NSHDSACASA-N 2 1 295.387 -0.154 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CCC[N@H+](C)[C@@H](C)C(N)=O ZINC001440485445 911463281 /nfs/dbraw/zinc/46/32/81/911463281.db2.gz VIIUEKFIRSIKGX-NSHDSACASA-N 2 1 295.387 -0.154 20 0 CBADMP C[C@@H](O)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001440578970 911476409 /nfs/dbraw/zinc/47/64/09/911476409.db2.gz XOMOCODSBFVSGR-OLZOCXBDSA-N 2 1 299.415 -0.426 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001440592809 911480856 /nfs/dbraw/zinc/48/08/56/911480856.db2.gz KAOIZTYEGYDLQB-NWDGAFQWSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001440761898 911504251 /nfs/dbraw/zinc/50/42/51/911504251.db2.gz VTOAQJQZMNBHGO-MOENNCHZSA-N 2 1 282.388 -0.832 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001441199768 911622411 /nfs/dbraw/zinc/62/24/11/911622411.db2.gz FEKDLLJXYXJYJH-NWDGAFQWSA-N 2 1 282.388 -0.560 20 0 CBADMP 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 911644541 /nfs/dbraw/zinc/64/45/41/911644541.db2.gz YCSGYFRTSLOGRR-FMSGJZPZSA-N 2 1 296.415 -0.648 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001441353214 911651473 /nfs/dbraw/zinc/65/14/73/911651473.db2.gz NTFGSQRZNQIAKD-IJLUTSLNSA-N 2 1 282.388 -0.560 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001441360933 911653131 /nfs/dbraw/zinc/65/31/31/911653131.db2.gz LAKUWLWGJVRPPJ-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001441380954 911658268 /nfs/dbraw/zinc/65/82/68/911658268.db2.gz AQHPDSQLPHIACG-GVXVVHGQSA-N 2 1 296.415 -0.029 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001441404529 911663019 /nfs/dbraw/zinc/66/30/19/911663019.db2.gz HRHBEGOPHODQAL-CYDGBPFRSA-N 2 1 296.415 -0.301 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001441436782 911669096 /nfs/dbraw/zinc/66/90/96/911669096.db2.gz HKWWHPGYEKOQAB-HAQNSBGRSA-N 2 1 284.404 -0.348 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001441527901 911697060 /nfs/dbraw/zinc/69/70/60/911697060.db2.gz YLWGTUNMJJAKGC-PHIMTYICSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)c1nnnn1C ZINC001441584220 911711402 /nfs/dbraw/zinc/71/14/02/911711402.db2.gz CLVKDUUMEKVFPW-WDEREUQCSA-N 2 1 297.407 -0.341 20 0 CBADMP COC[C@H](O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001441591597 911712562 /nfs/dbraw/zinc/71/25/62/911712562.db2.gz PKIMGGMRCFYMTQ-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCCO ZINC001507154456 921691353 /nfs/dbraw/zinc/69/13/53/921691353.db2.gz NUDGEGIVWSRWEJ-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001507161137 921693276 /nfs/dbraw/zinc/69/32/76/921693276.db2.gz ISOGKYNAEJVNKS-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001441858721 911841136 /nfs/dbraw/zinc/84/11/36/911841136.db2.gz DTJROKWYKSNDBP-IUODEOHRSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001441858721 911841147 /nfs/dbraw/zinc/84/11/47/911841147.db2.gz DTJROKWYKSNDBP-IUODEOHRSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC001441869536 911841316 /nfs/dbraw/zinc/84/13/16/911841316.db2.gz PTXMBQJJAUQGSX-IUODEOHRSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC001441869536 911841325 /nfs/dbraw/zinc/84/13/25/911841325.db2.gz PTXMBQJJAUQGSX-IUODEOHRSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001441869536 911841336 /nfs/dbraw/zinc/84/13/36/911841336.db2.gz PTXMBQJJAUQGSX-IUODEOHRSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001441869536 911841346 /nfs/dbraw/zinc/84/13/46/911841346.db2.gz PTXMBQJJAUQGSX-IUODEOHRSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001441943632 911864615 /nfs/dbraw/zinc/86/46/15/911864615.db2.gz WWGVFJGDHMYMJL-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001442053655 911911288 /nfs/dbraw/zinc/91/12/88/911911288.db2.gz QMIRXGFNVFJTCZ-MNOVXSKESA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001442053655 911911298 /nfs/dbraw/zinc/91/12/98/911911298.db2.gz QMIRXGFNVFJTCZ-MNOVXSKESA-N 2 1 280.376 -0.639 20 0 CBADMP CCn1ncc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001442098170 911926260 /nfs/dbraw/zinc/92/62/60/911926260.db2.gz FBSLOVIEKJOJOJ-LBPRGKRZSA-N 2 1 294.403 -0.060 20 0 CBADMP C[N@@H+](CCNC(=O)C1CC1)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001442383890 911993646 /nfs/dbraw/zinc/99/36/46/911993646.db2.gz WXVFYBXFVPVUFD-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001442428810 912014825 /nfs/dbraw/zinc/01/48/25/912014825.db2.gz GOGZDEGTTLNDTP-NWDGAFQWSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001442428810 912014835 /nfs/dbraw/zinc/01/48/35/912014835.db2.gz GOGZDEGTTLNDTP-NWDGAFQWSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001442431705 912016032 /nfs/dbraw/zinc/01/60/32/912016032.db2.gz OWWPENLQSLGZBI-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001442431705 912016052 /nfs/dbraw/zinc/01/60/52/912016052.db2.gz OWWPENLQSLGZBI-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001442431705 912016072 /nfs/dbraw/zinc/01/60/72/912016072.db2.gz OWWPENLQSLGZBI-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001442431705 912016094 /nfs/dbraw/zinc/01/60/94/912016094.db2.gz OWWPENLQSLGZBI-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCN(C)C1=O ZINC001442576944 912055581 /nfs/dbraw/zinc/05/55/81/912055581.db2.gz AVAVQMLMJUZNQL-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCN(C)C1=O ZINC001442576944 912055601 /nfs/dbraw/zinc/05/56/01/912055601.db2.gz AVAVQMLMJUZNQL-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001442576944 912055611 /nfs/dbraw/zinc/05/56/11/912055611.db2.gz AVAVQMLMJUZNQL-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001442576944 912055630 /nfs/dbraw/zinc/05/56/30/912055630.db2.gz AVAVQMLMJUZNQL-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H](C)C(=O)NC ZINC001442640871 912068351 /nfs/dbraw/zinc/06/83/51/912068351.db2.gz QVXIRYSEVQLCHO-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H](C)C(=O)NC ZINC001442640871 912068368 /nfs/dbraw/zinc/06/83/68/912068368.db2.gz QVXIRYSEVQLCHO-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C)C(=O)NC ZINC001442640871 912068385 /nfs/dbraw/zinc/06/83/85/912068385.db2.gz QVXIRYSEVQLCHO-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@@H](C)C(=O)NC ZINC001442640871 912068411 /nfs/dbraw/zinc/06/84/11/912068411.db2.gz QVXIRYSEVQLCHO-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001442805800 912110424 /nfs/dbraw/zinc/11/04/24/912110424.db2.gz RKZVZHFZXMPUJL-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001442805800 912110436 /nfs/dbraw/zinc/11/04/36/912110436.db2.gz RKZVZHFZXMPUJL-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@H+](CC(=O)N1CCC1)C1CC1 ZINC001443029871 912144379 /nfs/dbraw/zinc/14/43/79/912144379.db2.gz JAJISSNXOVVWMM-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@@H+](CC(=O)N1CCC1)C1CC1 ZINC001443029871 912144384 /nfs/dbraw/zinc/14/43/84/912144384.db2.gz JAJISSNXOVVWMM-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001443098301 912155883 /nfs/dbraw/zinc/15/58/83/912155883.db2.gz WPHXGISTOXUVMF-QWRGUYRKSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001443098298 912156612 /nfs/dbraw/zinc/15/66/12/912156612.db2.gz WPHXGISTOXUVMF-MNOVXSKESA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001443098302 912158273 /nfs/dbraw/zinc/15/82/73/912158273.db2.gz WPHXGISTOXUVMF-WDEREUQCSA-N 2 1 270.377 -0.879 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)C(N)=O)C1 ZINC001443348625 912187186 /nfs/dbraw/zinc/18/71/86/912187186.db2.gz YXCLBIMAOLDDDS-OLZOCXBDSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)C(N)=O)C1 ZINC001443348625 912187199 /nfs/dbraw/zinc/18/71/99/912187199.db2.gz YXCLBIMAOLDDDS-OLZOCXBDSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001443348625 912187207 /nfs/dbraw/zinc/18/72/07/912187207.db2.gz YXCLBIMAOLDDDS-OLZOCXBDSA-N 2 1 298.431 -0.019 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)CC(N)=O)C1 ZINC001443335649 912189736 /nfs/dbraw/zinc/18/97/36/912189736.db2.gz FJJWAABEYSQQAD-ZDUSSCGKSA-N 2 1 298.431 -0.016 20 0 CBADMP CCC[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001443335649 912189749 /nfs/dbraw/zinc/18/97/49/912189749.db2.gz FJJWAABEYSQQAD-ZDUSSCGKSA-N 2 1 298.431 -0.016 20 0 CBADMP CCC[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001443335649 912189764 /nfs/dbraw/zinc/18/97/64/912189764.db2.gz FJJWAABEYSQQAD-ZDUSSCGKSA-N 2 1 298.431 -0.016 20 0 CBADMP CCN1CC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001464653012 914996841 /nfs/dbraw/zinc/99/68/41/914996841.db2.gz JOYFUGDVGYIFDM-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+]1CC[C@@H]1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC001464653012 914996847 /nfs/dbraw/zinc/99/68/47/914996847.db2.gz JOYFUGDVGYIFDM-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@H+]1CC[C@@H]1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC001464653012 914996856 /nfs/dbraw/zinc/99/68/56/914996856.db2.gz JOYFUGDVGYIFDM-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+]1CC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001464653012 914996861 /nfs/dbraw/zinc/99/68/61/914996861.db2.gz JOYFUGDVGYIFDM-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+]1CC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001464653012 914996865 /nfs/dbraw/zinc/99/68/65/914996865.db2.gz JOYFUGDVGYIFDM-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001471374152 915582137 /nfs/dbraw/zinc/58/21/37/915582137.db2.gz PNOYNVJCSNPJAO-DGCLKSJQSA-N 2 1 255.362 -0.394 20 0 CBADMP CC[N@H+]1CC[C@@H]1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001471374152 915582147 /nfs/dbraw/zinc/58/21/47/915582147.db2.gz PNOYNVJCSNPJAO-DGCLKSJQSA-N 2 1 255.362 -0.394 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CC2CC2)C1 ZINC001507251354 921784520 /nfs/dbraw/zinc/78/45/20/921784520.db2.gz CLSAJVOTCGBFRH-STQMWFEESA-N 2 1 269.389 -0.195 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001472084034 915692331 /nfs/dbraw/zinc/69/23/31/915692331.db2.gz XZGVEUQBRKAQTQ-CMPLNLGQSA-N 2 1 253.346 -0.330 20 0 CBADMP Cn1cncc1CC[N@@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001473892453 915878177 /nfs/dbraw/zinc/87/81/77/915878177.db2.gz KANPDRIEPARQIK-RYUDHWBXSA-N 2 1 253.346 -0.115 20 0 CBADMP Cn1cncc1CC[N@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001473892451 915881775 /nfs/dbraw/zinc/88/17/75/915881775.db2.gz KANPDRIEPARQIK-NEPJUHHUSA-N 2 1 253.346 -0.115 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001507298096 921804710 /nfs/dbraw/zinc/80/47/10/921804710.db2.gz PIDPGKPXOXRUIG-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001479652815 916145355 /nfs/dbraw/zinc/14/53/55/916145355.db2.gz XGBQFRBVAACPTG-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001479652815 916145369 /nfs/dbraw/zinc/14/53/69/916145369.db2.gz XGBQFRBVAACPTG-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001479652815 916145374 /nfs/dbraw/zinc/14/53/74/916145374.db2.gz XGBQFRBVAACPTG-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001479652815 916145383 /nfs/dbraw/zinc/14/53/83/916145383.db2.gz XGBQFRBVAACPTG-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)[C@@H]1C ZINC001479729484 916159573 /nfs/dbraw/zinc/15/95/73/916159573.db2.gz XUCILBCFQHRDPS-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)[C@@H]1C ZINC001479729484 916159581 /nfs/dbraw/zinc/15/95/81/916159581.db2.gz XUCILBCFQHRDPS-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)[C@@H]1C ZINC001479729484 916159589 /nfs/dbraw/zinc/15/95/89/916159589.db2.gz XUCILBCFQHRDPS-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)[C@@H]1C ZINC001479729484 916159594 /nfs/dbraw/zinc/15/95/94/916159594.db2.gz XUCILBCFQHRDPS-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CCn1cncn1 ZINC001479762357 916165137 /nfs/dbraw/zinc/16/51/37/916165137.db2.gz NTTFLNDFGPHNTM-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)CCn1cncn1 ZINC001479762357 916165141 /nfs/dbraw/zinc/16/51/41/916165141.db2.gz NTTFLNDFGPHNTM-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)CCn1cncn1 ZINC001479762357 916165145 /nfs/dbraw/zinc/16/51/45/916165145.db2.gz NTTFLNDFGPHNTM-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP C[N@@H+](CCO)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479779633 916173460 /nfs/dbraw/zinc/17/34/60/916173460.db2.gz QESTXMAEHMOFPW-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+](CCO)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001479779633 916173467 /nfs/dbraw/zinc/17/34/67/916173467.db2.gz QESTXMAEHMOFPW-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+](CCO)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001479779633 916173474 /nfs/dbraw/zinc/17/34/74/916173474.db2.gz QESTXMAEHMOFPW-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[C@@H](C(=O)NCCC[N@@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001479796467 916178273 /nfs/dbraw/zinc/17/82/73/916178273.db2.gz IAQJMYYFKKCAKT-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[C@H](C(=O)NCCC[N@@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001479807863 916185399 /nfs/dbraw/zinc/18/53/99/916185399.db2.gz IAQJMYYFKKCAKT-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001479811908 916186841 /nfs/dbraw/zinc/18/68/41/916186841.db2.gz COJBZCCUCJSIFH-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001479811908 916186853 /nfs/dbraw/zinc/18/68/53/916186853.db2.gz COJBZCCUCJSIFH-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001479811908 916186866 /nfs/dbraw/zinc/18/68/66/916186866.db2.gz COJBZCCUCJSIFH-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCn1cncn1 ZINC001479812958 916187503 /nfs/dbraw/zinc/18/75/03/916187503.db2.gz URVMTALVIDPOBC-ZDUSSCGKSA-N 2 1 294.403 -0.332 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)CCn1cncn1 ZINC001479812958 916187507 /nfs/dbraw/zinc/18/75/07/916187507.db2.gz URVMTALVIDPOBC-ZDUSSCGKSA-N 2 1 294.403 -0.332 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)CCn1cncn1 ZINC001479812958 916187517 /nfs/dbraw/zinc/18/75/17/916187517.db2.gz URVMTALVIDPOBC-ZDUSSCGKSA-N 2 1 294.403 -0.332 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)C[NH+](C)C(C)C ZINC001479815735 916187631 /nfs/dbraw/zinc/18/76/31/916187631.db2.gz MHHBATINOLMENO-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)C[N@H+](C)C(C)C ZINC001479815735 916187645 /nfs/dbraw/zinc/18/76/45/916187645.db2.gz MHHBATINOLMENO-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)C[N@@H+](C)C(C)C ZINC001479815735 916187652 /nfs/dbraw/zinc/18/76/52/916187652.db2.gz MHHBATINOLMENO-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CC(N)=O)CC1 ZINC001479890665 916201807 /nfs/dbraw/zinc/20/18/07/916201807.db2.gz AZBVDANHFQMRCF-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP CN(C(=O)CC[NH+](C)C)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001479891849 916202322 /nfs/dbraw/zinc/20/23/22/916202322.db2.gz FKHFVEHVWPLOFF-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001479909746 916208174 /nfs/dbraw/zinc/20/81/74/916208174.db2.gz NMWTUUKBCCUYAS-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001479909745 916209298 /nfs/dbraw/zinc/20/92/98/916209298.db2.gz NMWTUUKBCCUYAS-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001480038088 916266346 /nfs/dbraw/zinc/26/63/46/916266346.db2.gz AVGKOIZQFXHQIX-GHMZBOCLSA-N 2 1 268.361 -0.950 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001480029014 916268964 /nfs/dbraw/zinc/26/89/64/916268964.db2.gz ZEHCIJVUKNPVGT-ZDUSSCGKSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001480157164 916313005 /nfs/dbraw/zinc/31/30/05/916313005.db2.gz ISGHPUONYKMUOD-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)OC ZINC001480198010 916324226 /nfs/dbraw/zinc/32/42/26/916324226.db2.gz FAHRPPBWGMMLEN-RFQIPJPRSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)OC ZINC001480198010 916324248 /nfs/dbraw/zinc/32/42/48/916324248.db2.gz FAHRPPBWGMMLEN-RFQIPJPRSA-N 2 1 299.415 -0.021 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480231904 916337285 /nfs/dbraw/zinc/33/72/85/916337285.db2.gz HVOAEFLORZBVFS-LPWJVIDDSA-N 2 1 296.415 -0.301 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001480460871 916428132 /nfs/dbraw/zinc/42/81/32/916428132.db2.gz XZMPSCDYSZHWGN-WDEREUQCSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCOCCO ZINC001480463793 916428206 /nfs/dbraw/zinc/42/82/06/916428206.db2.gz ZIMYTACKVXKCCW-JHJVBQTASA-N 2 1 287.404 -0.570 20 0 CBADMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ncnn1C ZINC001480475591 916431178 /nfs/dbraw/zinc/43/11/78/916431178.db2.gz RWDWRIVNVODJDB-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001480478482 916431458 /nfs/dbraw/zinc/43/14/58/916431458.db2.gz ZFMBAHVHFIQFPU-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001480478480 916432275 /nfs/dbraw/zinc/43/22/75/916432275.db2.gz ZFMBAHVHFIQFPU-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cnnn1C ZINC001480538372 916465878 /nfs/dbraw/zinc/46/58/78/916465878.db2.gz XRYQAYHJOCPWBI-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480571558 916479950 /nfs/dbraw/zinc/47/99/50/916479950.db2.gz INXUFLMYFLYNLD-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480590824 916488615 /nfs/dbraw/zinc/48/86/15/916488615.db2.gz VNCDLSBHRXHIPJ-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCO)C1 ZINC001480638910 916506785 /nfs/dbraw/zinc/50/67/85/916506785.db2.gz XLOKUSFEHNSMCN-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001480779607 916536715 /nfs/dbraw/zinc/53/67/15/916536715.db2.gz HYLBJSBFRKFIEP-PWSUYJOCSA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480849105 916568844 /nfs/dbraw/zinc/56/88/44/916568844.db2.gz MYHFQDSDRODQCO-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480849105 916568859 /nfs/dbraw/zinc/56/88/59/916568859.db2.gz MYHFQDSDRODQCO-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480849105 916568871 /nfs/dbraw/zinc/56/88/71/916568871.db2.gz MYHFQDSDRODQCO-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480849105 916568885 /nfs/dbraw/zinc/56/88/85/916568885.db2.gz MYHFQDSDRODQCO-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480849329 916570183 /nfs/dbraw/zinc/57/01/83/916570183.db2.gz WBODXYPLKBFSCB-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480849329 916570166 /nfs/dbraw/zinc/57/01/66/916570166.db2.gz WBODXYPLKBFSCB-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480849329 916570199 /nfs/dbraw/zinc/57/01/99/916570199.db2.gz WBODXYPLKBFSCB-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480849329 916570212 /nfs/dbraw/zinc/57/02/12/916570212.db2.gz WBODXYPLKBFSCB-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC[C@H]1CCCO1 ZINC001480851785 916571576 /nfs/dbraw/zinc/57/15/76/916571576.db2.gz GZPBVBHQJSJYMR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC[C@H]1CCCO1 ZINC001480851785 916571594 /nfs/dbraw/zinc/57/15/94/916571594.db2.gz GZPBVBHQJSJYMR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC[C@H]1CCCO1 ZINC001480851785 916571606 /nfs/dbraw/zinc/57/16/06/916571606.db2.gz GZPBVBHQJSJYMR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC[C@H]1CCCO1 ZINC001480851785 916571617 /nfs/dbraw/zinc/57/16/17/916571617.db2.gz GZPBVBHQJSJYMR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480865637 916596067 /nfs/dbraw/zinc/59/60/67/916596067.db2.gz MPOFJOWLRSQUJX-QWHCGFSZSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480865637 916596078 /nfs/dbraw/zinc/59/60/78/916596078.db2.gz MPOFJOWLRSQUJX-QWHCGFSZSA-N 2 1 296.415 -0.360 20 0 CBADMP CN1CC[C@@H]([N@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001480908400 916625268 /nfs/dbraw/zinc/62/52/68/916625268.db2.gz UNIORNGNAASSLA-LLVKDONJSA-N 2 1 270.377 -0.783 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001480908400 916625279 /nfs/dbraw/zinc/62/52/79/916625279.db2.gz UNIORNGNAASSLA-LLVKDONJSA-N 2 1 270.377 -0.783 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001480951418 916649646 /nfs/dbraw/zinc/64/96/46/916649646.db2.gz AFLMMJKZIVILAU-JTQLQIEISA-N 2 1 258.366 -0.752 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001480951418 916649660 /nfs/dbraw/zinc/64/96/60/916649660.db2.gz AFLMMJKZIVILAU-JTQLQIEISA-N 2 1 258.366 -0.752 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001480951418 916649668 /nfs/dbraw/zinc/64/96/68/916649668.db2.gz AFLMMJKZIVILAU-JTQLQIEISA-N 2 1 258.366 -0.752 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001480951418 916649679 /nfs/dbraw/zinc/64/96/79/916649679.db2.gz AFLMMJKZIVILAU-JTQLQIEISA-N 2 1 258.366 -0.752 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(=O)NC ZINC001480975221 916669747 /nfs/dbraw/zinc/66/97/47/916669747.db2.gz LSTVEBGRHUEIQU-CYBMUJFWSA-N 2 1 296.415 -0.488 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(=O)NC ZINC001480975221 916669759 /nfs/dbraw/zinc/66/97/59/916669759.db2.gz LSTVEBGRHUEIQU-CYBMUJFWSA-N 2 1 296.415 -0.488 20 0 CBADMP CCNC(=O)C[N@H+](CC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001481012297 916688216 /nfs/dbraw/zinc/68/82/16/916688216.db2.gz YADXVPAEFXCBJR-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[N@@H+](CC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001481012297 916688235 /nfs/dbraw/zinc/68/82/35/916688235.db2.gz YADXVPAEFXCBJR-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+](CC)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001481012297 916688244 /nfs/dbraw/zinc/68/82/44/916688244.db2.gz YADXVPAEFXCBJR-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+](CC)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001481012297 916688253 /nfs/dbraw/zinc/68/82/53/916688253.db2.gz YADXVPAEFXCBJR-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001481056330 916697223 /nfs/dbraw/zinc/69/72/23/916697223.db2.gz QCEMZDALZKASHV-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001481056330 916697229 /nfs/dbraw/zinc/69/72/29/916697229.db2.gz QCEMZDALZKASHV-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@H+](CCO)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001481153685 916733882 /nfs/dbraw/zinc/73/38/82/916733882.db2.gz CLESLTVTVRGOCF-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[N@@H+](CCO)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001481153685 916733901 /nfs/dbraw/zinc/73/39/01/916733901.db2.gz CLESLTVTVRGOCF-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[NH+](CCO)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001481153685 916733915 /nfs/dbraw/zinc/73/39/15/916733915.db2.gz CLESLTVTVRGOCF-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[NH+](CCO)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001481153685 916733925 /nfs/dbraw/zinc/73/39/25/916733925.db2.gz CLESLTVTVRGOCF-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[N@@H+](CCO)C1CC1 ZINC001481190040 916747750 /nfs/dbraw/zinc/74/77/50/916747750.db2.gz IBFHBRCSRBTKPJ-UHFFFAOYSA-N 2 1 285.388 -0.718 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[N@H+](CCO)C1CC1 ZINC001481190040 916747762 /nfs/dbraw/zinc/74/77/62/916747762.db2.gz IBFHBRCSRBTKPJ-UHFFFAOYSA-N 2 1 285.388 -0.718 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](CCO)C1CC1)[NH+](C)C ZINC001481193879 916748219 /nfs/dbraw/zinc/74/82/19/916748219.db2.gz LVDRROOTNKSZOC-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP COC[C@@H](O)C[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001481279742 916806021 /nfs/dbraw/zinc/80/60/21/916806021.db2.gz KGASXUAAZXESPP-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481314677 916817606 /nfs/dbraw/zinc/81/76/06/916817606.db2.gz JWIIVPQJYFEZNS-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001481706245 916959236 /nfs/dbraw/zinc/95/92/36/916959236.db2.gz KBFSPFVTTRATMQ-FRRDWIJNSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001481706245 916959245 /nfs/dbraw/zinc/95/92/45/916959245.db2.gz KBFSPFVTTRATMQ-FRRDWIJNSA-N 2 1 296.415 -0.252 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481706096 916961454 /nfs/dbraw/zinc/96/14/54/916961454.db2.gz RHKAEJCIQCCKGT-JHJVBQTASA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481706096 916961463 /nfs/dbraw/zinc/96/14/63/916961463.db2.gz RHKAEJCIQCCKGT-JHJVBQTASA-N 2 1 298.431 -0.102 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC(N)=O ZINC001481816504 916995255 /nfs/dbraw/zinc/99/52/55/916995255.db2.gz MGPHDLSIVOGONT-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)Cn1cc[nH+]c1C ZINC001481879125 917010293 /nfs/dbraw/zinc/01/02/93/917010293.db2.gz NAPOXFMVZIUIRC-GFCCVEGCSA-N 2 1 295.387 -0.188 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]CC(=O)N(C)C ZINC001482084041 917045534 /nfs/dbraw/zinc/04/55/34/917045534.db2.gz GOSFNNIHNKSHJX-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)N(C)C ZINC001482167049 917071290 /nfs/dbraw/zinc/07/12/90/917071290.db2.gz AEBVOIKNJBGWML-VXGBXAGGSA-N 2 1 284.404 -0.632 20 0 CBADMP COCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482169757 917071328 /nfs/dbraw/zinc/07/13/28/917071328.db2.gz VWOVLOFUHCPHBA-VXGBXAGGSA-N 2 1 257.378 -0.074 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)N(C)C ZINC001482159708 917071820 /nfs/dbraw/zinc/07/18/20/917071820.db2.gz RCBSYDVDZRSZOW-QWHCGFSZSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482295676 917116928 /nfs/dbraw/zinc/11/69/28/917116928.db2.gz DTNMQBLJVOVYTE-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCO)C1 ZINC001482367345 917138680 /nfs/dbraw/zinc/13/86/80/917138680.db2.gz JFNFXRWDQGJUEA-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCO)C1 ZINC001482367345 917138690 /nfs/dbraw/zinc/13/86/90/917138690.db2.gz JFNFXRWDQGJUEA-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001482649645 917194021 /nfs/dbraw/zinc/19/40/21/917194021.db2.gz NXWCSLPUUBEMSH-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001482649645 917194036 /nfs/dbraw/zinc/19/40/36/917194036.db2.gz NXWCSLPUUBEMSH-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482649645 917194065 /nfs/dbraw/zinc/19/40/65/917194065.db2.gz NXWCSLPUUBEMSH-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482649645 917194082 /nfs/dbraw/zinc/19/40/82/917194082.db2.gz NXWCSLPUUBEMSH-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]CCF)C1CCC1 ZINC001482737301 917244466 /nfs/dbraw/zinc/24/44/66/917244466.db2.gz JQHMIWPGRQMYTA-NSHDSACASA-N 2 1 261.341 -0.493 20 0 CBADMP C[C@H](CC[NH2+]CC(N)=O)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482841192 917308569 /nfs/dbraw/zinc/30/85/69/917308569.db2.gz CRHDDICJTMRQIK-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482899303 917324332 /nfs/dbraw/zinc/32/43/32/917324332.db2.gz NRYFNCKPNZJYHY-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)Cn1c[nH+]cc1C ZINC001482937428 917342390 /nfs/dbraw/zinc/34/23/90/917342390.db2.gz KPAPALDAAUSNOH-LBPRGKRZSA-N 2 1 295.387 -0.236 20 0 CBADMP COC[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483048583 917384988 /nfs/dbraw/zinc/38/49/88/917384988.db2.gz VCVCZTRGPGDRPB-VSVUCHCSSA-N 2 1 299.415 -0.260 20 0 CBADMP C[C@H](C[NH2+]CCNC(=O)C1CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001483116216 917418732 /nfs/dbraw/zinc/41/87/32/917418732.db2.gz DFOSGZHUWZSWIY-YPMHNXCESA-N 2 1 296.415 -0.299 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483129454 917429663 /nfs/dbraw/zinc/42/96/63/917429663.db2.gz ZBORGTHJQNJRQI-JHJVBQTASA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483217294 917473126 /nfs/dbraw/zinc/47/31/26/917473126.db2.gz PNKQCVOQEFTQMI-JQWIXIFHSA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483217294 917473137 /nfs/dbraw/zinc/47/31/37/917473137.db2.gz PNKQCVOQEFTQMI-JQWIXIFHSA-N 2 1 255.362 -0.179 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]CCn1cncn1 ZINC001483249153 917490312 /nfs/dbraw/zinc/49/03/12/917490312.db2.gz STOGPHNKMFSTLI-NSHDSACASA-N 2 1 291.359 -0.422 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001483605028 917603314 /nfs/dbraw/zinc/60/33/14/917603314.db2.gz CHYJPMJQNBNWMP-GFCCVEGCSA-N 2 1 293.371 -0.578 20 0 CBADMP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1CCO)C1CCC1 ZINC001483655736 917626743 /nfs/dbraw/zinc/62/67/43/917626743.db2.gz SDVBXZBTDQTMOU-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+]1CCO)C1CCC1 ZINC001483655736 917626756 /nfs/dbraw/zinc/62/67/56/917626756.db2.gz SDVBXZBTDQTMOU-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+]1CCO)C1CCC1 ZINC001483655736 917626772 /nfs/dbraw/zinc/62/67/72/917626772.db2.gz SDVBXZBTDQTMOU-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](CC(=O)NC[C@@H]1CC[N@H+]1CCO)C1CCC1 ZINC001483655736 917626785 /nfs/dbraw/zinc/62/67/85/917626785.db2.gz SDVBXZBTDQTMOU-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1C[C@@H](C)O ZINC001483665019 917630992 /nfs/dbraw/zinc/63/09/92/917630992.db2.gz WKNZIEOOXBBATP-VXGBXAGGSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1C[C@@H](C)O ZINC001483665019 917631000 /nfs/dbraw/zinc/63/10/00/917631000.db2.gz WKNZIEOOXBBATP-VXGBXAGGSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1C[C@H](C)O ZINC001483665018 917631241 /nfs/dbraw/zinc/63/12/41/917631241.db2.gz WKNZIEOOXBBATP-RYUDHWBXSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1C[C@H](C)O ZINC001483665018 917631247 /nfs/dbraw/zinc/63/12/47/917631247.db2.gz WKNZIEOOXBBATP-RYUDHWBXSA-N 2 1 266.345 -0.237 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CCCO)CC2)C1 ZINC001483768004 917676280 /nfs/dbraw/zinc/67/62/80/917676280.db2.gz UHVORUARKZKFFU-LBPRGKRZSA-N 2 1 269.389 -0.051 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CCOCCO)CC2)C1 ZINC001483790993 917679858 /nfs/dbraw/zinc/67/98/58/917679858.db2.gz OJBHEIUHDSHWIZ-LBPRGKRZSA-N 2 1 285.388 -0.815 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001483847383 917687166 /nfs/dbraw/zinc/68/71/66/917687166.db2.gz ZITUFTBPANVCQG-OAHLLOKOSA-N 2 1 296.415 -0.262 20 0 CBADMP Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001483942532 917713617 /nfs/dbraw/zinc/71/36/17/917713617.db2.gz JZIDIMQIPHUCGB-NSHDSACASA-N 2 1 295.391 -0.758 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]CCO)C1 ZINC001483951655 917713739 /nfs/dbraw/zinc/71/37/39/917713739.db2.gz CHHPYYLEWDNDQS-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001483958141 917717014 /nfs/dbraw/zinc/71/70/14/917717014.db2.gz GFJLTMJLJGHBMR-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC(=O)N(C)C)C1 ZINC001484067031 917731268 /nfs/dbraw/zinc/73/12/68/917731268.db2.gz GGBRKEDOARNYGH-OAHLLOKOSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC(=O)N(C)C)C1 ZINC001484067031 917731282 /nfs/dbraw/zinc/73/12/82/917731282.db2.gz GGBRKEDOARNYGH-OAHLLOKOSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](CC(=O)N(C)C)C1 ZINC001484067031 917731295 /nfs/dbraw/zinc/73/12/95/917731295.db2.gz GGBRKEDOARNYGH-OAHLLOKOSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001484067031 917731306 /nfs/dbraw/zinc/73/13/06/917731306.db2.gz GGBRKEDOARNYGH-OAHLLOKOSA-N 2 1 298.431 -0.003 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001484235518 917779314 /nfs/dbraw/zinc/77/93/14/917779314.db2.gz JSGCGLLHLHHLLU-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001484235518 917779323 /nfs/dbraw/zinc/77/93/23/917779323.db2.gz JSGCGLLHLHHLLU-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001484235518 917779333 /nfs/dbraw/zinc/77/93/33/917779333.db2.gz JSGCGLLHLHHLLU-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H](CC[NH2+]CCO)C1 ZINC001484542230 917887209 /nfs/dbraw/zinc/88/72/09/917887209.db2.gz DTAPLRSXPLBVJX-AWEZNQCLSA-N 2 1 299.415 -0.471 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC1([NH2+]CCO)CCC1 ZINC001484657555 917906355 /nfs/dbraw/zinc/90/63/55/917906355.db2.gz GQXLNCMVNKYBIG-UHFFFAOYSA-N 2 1 285.388 -0.671 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001484902001 917963092 /nfs/dbraw/zinc/96/30/92/917963092.db2.gz NACXGQCKWLEJHR-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)N(C)C ZINC001485373700 918098545 /nfs/dbraw/zinc/09/85/45/918098545.db2.gz VASCTTWBGDBVHV-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)N(C)C ZINC001485373700 918098578 /nfs/dbraw/zinc/09/85/78/918098578.db2.gz VASCTTWBGDBVHV-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)N(C)C ZINC001485373700 918098594 /nfs/dbraw/zinc/09/85/94/918098594.db2.gz VASCTTWBGDBVHV-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)N(C)C ZINC001485373700 918098611 /nfs/dbraw/zinc/09/86/11/918098611.db2.gz VASCTTWBGDBVHV-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@H](C)C(=O)NC ZINC001485369558 918100724 /nfs/dbraw/zinc/10/07/24/918100724.db2.gz KAUDCMYCCXJZIC-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@H](C)C(=O)NC ZINC001485369558 918100732 /nfs/dbraw/zinc/10/07/32/918100732.db2.gz KAUDCMYCCXJZIC-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(=O)NC ZINC001485369558 918100741 /nfs/dbraw/zinc/10/07/41/918100741.db2.gz KAUDCMYCCXJZIC-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(=O)NC ZINC001485369558 918100745 /nfs/dbraw/zinc/10/07/45/918100745.db2.gz KAUDCMYCCXJZIC-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@H](C)C(N)=O ZINC001485368038 918102649 /nfs/dbraw/zinc/10/26/49/918102649.db2.gz AGZKCSKKWPZJLR-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@H](C)C(N)=O ZINC001485368038 918102660 /nfs/dbraw/zinc/10/26/60/918102660.db2.gz AGZKCSKKWPZJLR-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001485368038 918102667 /nfs/dbraw/zinc/10/26/67/918102667.db2.gz AGZKCSKKWPZJLR-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001485368038 918102674 /nfs/dbraw/zinc/10/26/74/918102674.db2.gz AGZKCSKKWPZJLR-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCO)C1 ZINC001485531764 918139564 /nfs/dbraw/zinc/13/95/64/918139564.db2.gz BMRAWAFFISUXBB-RYUDHWBXSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485556673 918143903 /nfs/dbraw/zinc/14/39/03/918143903.db2.gz WFRDEZNGNHJDAI-UKRRQHHQSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485556673 918143917 /nfs/dbraw/zinc/14/39/17/918143917.db2.gz WFRDEZNGNHJDAI-UKRRQHHQSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001485745026 918182118 /nfs/dbraw/zinc/18/21/18/918182118.db2.gz PNBOQUBXOCZMES-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP CC[N@H+](C)CCOCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001485770770 918186575 /nfs/dbraw/zinc/18/65/75/918186575.db2.gz QNLYDZUHHOFPHR-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@@H+](C)CCOCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001485770770 918186587 /nfs/dbraw/zinc/18/65/87/918186587.db2.gz QNLYDZUHHOFPHR-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[NH+](C)CCOCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485770770 918186600 /nfs/dbraw/zinc/18/66/00/918186600.db2.gz QNLYDZUHHOFPHR-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[NH+](C)CCOCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485770770 918186609 /nfs/dbraw/zinc/18/66/09/918186609.db2.gz QNLYDZUHHOFPHR-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP C[N@@H+](CCO)CCOCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485773928 918187922 /nfs/dbraw/zinc/18/79/22/918187922.db2.gz WVLDITYXNUMKEH-CQSZACIVSA-N 2 1 299.415 -0.615 20 0 CBADMP C[C@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001485881290 918216462 /nfs/dbraw/zinc/21/64/62/918216462.db2.gz FGZMIMIBSCKCLO-MNOVXSKESA-N 2 1 284.404 -0.219 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001485900468 918222584 /nfs/dbraw/zinc/22/25/84/918222584.db2.gz QTQBNDDJSXKBCG-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC001485982702 918277391 /nfs/dbraw/zinc/27/73/91/918277391.db2.gz NPNJYBWSVVPMEL-STQMWFEESA-N 2 1 295.387 -0.919 20 0 CBADMP CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485982257 918277793 /nfs/dbraw/zinc/27/77/93/918277793.db2.gz KEXZVYQROXWTRB-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485982257 918277813 /nfs/dbraw/zinc/27/78/13/918277813.db2.gz KEXZVYQROXWTRB-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001486203615 918381697 /nfs/dbraw/zinc/38/16/97/918381697.db2.gz ZVYKPWOEWSIDGA-VXGBXAGGSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCO)[C@@H]1C ZINC001489301647 918808660 /nfs/dbraw/zinc/80/86/60/918808660.db2.gz TWBKPHGYVBXQEA-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCO)[C@@H]1C ZINC001489301647 918808676 /nfs/dbraw/zinc/80/86/76/918808676.db2.gz TWBKPHGYVBXQEA-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCO)[C@@H]1C ZINC001489301647 918808691 /nfs/dbraw/zinc/80/86/91/918808691.db2.gz TWBKPHGYVBXQEA-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)CC(N)=O ZINC001489340626 918813043 /nfs/dbraw/zinc/81/30/43/918813043.db2.gz ZYCVHDQWHJVUMK-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@@H+](C)CC(N)=O ZINC001489340626 918813055 /nfs/dbraw/zinc/81/30/55/918813055.db2.gz ZYCVHDQWHJVUMK-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490166411 918852604 /nfs/dbraw/zinc/85/26/04/918852604.db2.gz QOWYJTHGFNPPBG-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001490166411 918852617 /nfs/dbraw/zinc/85/26/17/918852617.db2.gz QOWYJTHGFNPPBG-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001490166411 918852625 /nfs/dbraw/zinc/85/26/25/918852625.db2.gz QOWYJTHGFNPPBG-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001490164356 918854710 /nfs/dbraw/zinc/85/47/10/918854710.db2.gz JPCGLPJODVTQKM-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001490164356 918854716 /nfs/dbraw/zinc/85/47/16/918854716.db2.gz JPCGLPJODVTQKM-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001490164356 918854728 /nfs/dbraw/zinc/85/47/28/918854728.db2.gz JPCGLPJODVTQKM-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCNC1=O ZINC001490214278 918870294 /nfs/dbraw/zinc/87/02/94/918870294.db2.gz QWSPSRNVZOBPSH-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CCNC1=O ZINC001490214278 918870317 /nfs/dbraw/zinc/87/03/17/918870317.db2.gz QWSPSRNVZOBPSH-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CCNC1=O ZINC001490214278 918870335 /nfs/dbraw/zinc/87/03/35/918870335.db2.gz QWSPSRNVZOBPSH-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001490213033 918870613 /nfs/dbraw/zinc/87/06/13/918870613.db2.gz BFTNSJOFAAQBGC-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001490213033 918870626 /nfs/dbraw/zinc/87/06/26/918870626.db2.gz BFTNSJOFAAQBGC-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001490213033 918870635 /nfs/dbraw/zinc/87/06/35/918870635.db2.gz BFTNSJOFAAQBGC-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH+](C)[C@H]1CCN(C)C1=O ZINC001490264936 918886104 /nfs/dbraw/zinc/88/61/04/918886104.db2.gz JLOFMJFELUCNNS-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NCCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001490264936 918886125 /nfs/dbraw/zinc/88/61/25/918886125.db2.gz JLOFMJFELUCNNS-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NCCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001490264936 918886136 /nfs/dbraw/zinc/88/61/36/918886136.db2.gz JLOFMJFELUCNNS-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC001490318898 918891217 /nfs/dbraw/zinc/89/12/17/918891217.db2.gz STSHNXPQIJTZIW-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)N(C)C ZINC001490318898 918891234 /nfs/dbraw/zinc/89/12/34/918891234.db2.gz STSHNXPQIJTZIW-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)N(C)C ZINC001490318898 918891252 /nfs/dbraw/zinc/89/12/52/918891252.db2.gz STSHNXPQIJTZIW-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC ZINC001490358244 918898203 /nfs/dbraw/zinc/89/82/03/918898203.db2.gz WXCWTSSOKDJBHL-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)C(=O)NC ZINC001490358244 918898224 /nfs/dbraw/zinc/89/82/24/918898224.db2.gz WXCWTSSOKDJBHL-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC ZINC001490358244 918898235 /nfs/dbraw/zinc/89/82/35/918898235.db2.gz WXCWTSSOKDJBHL-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001490394510 918905628 /nfs/dbraw/zinc/90/56/28/918905628.db2.gz XQGLHZWFOBCHIG-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001490558241 918936962 /nfs/dbraw/zinc/93/69/62/918936962.db2.gz CYJIASYYASYEOV-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001490558241 918936969 /nfs/dbraw/zinc/93/69/69/918936969.db2.gz CYJIASYYASYEOV-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001490606545 918941865 /nfs/dbraw/zinc/94/18/65/918941865.db2.gz UPVKUHWFNQAHBX-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001490739389 918969059 /nfs/dbraw/zinc/96/90/59/918969059.db2.gz GVDJLPPUKBWUTK-GFCCVEGCSA-N 2 1 293.371 -0.578 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001491025564 919011253 /nfs/dbraw/zinc/01/12/53/919011253.db2.gz AWBFQXGHHOLFDZ-RVMXOQNASA-N 2 1 296.415 -0.029 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001491295588 919108554 /nfs/dbraw/zinc/10/85/54/919108554.db2.gz CMCNUPAMXFOXRN-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001491318617 919112488 /nfs/dbraw/zinc/11/24/88/919112488.db2.gz UEVBSODVGHWLTB-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001491318617 919112497 /nfs/dbraw/zinc/11/24/97/919112497.db2.gz UEVBSODVGHWLTB-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001491318617 919112502 /nfs/dbraw/zinc/11/25/02/919112502.db2.gz UEVBSODVGHWLTB-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001491318615 919113740 /nfs/dbraw/zinc/11/37/40/919113740.db2.gz UEVBSODVGHWLTB-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001491318615 919113752 /nfs/dbraw/zinc/11/37/52/919113752.db2.gz UEVBSODVGHWLTB-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001491318615 919113767 /nfs/dbraw/zinc/11/37/67/919113767.db2.gz UEVBSODVGHWLTB-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CCN1CCNC1=O ZINC001491416132 919149094 /nfs/dbraw/zinc/14/90/94/919149094.db2.gz XJAKUPKUYOSPBB-RYUDHWBXSA-N 2 1 297.403 -0.800 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001491460337 919168892 /nfs/dbraw/zinc/16/88/92/919168892.db2.gz BXAJFNNZKCTICG-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1ncnn1C ZINC001491567729 919205956 /nfs/dbraw/zinc/20/59/56/919205956.db2.gz VYTPUXQWLAQKNY-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CCn1cc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)nn1 ZINC001491569888 919213252 /nfs/dbraw/zinc/21/32/52/919213252.db2.gz VLJGYWKVWNSIMC-LLVKDONJSA-N 2 1 282.392 -0.156 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CCCO ZINC001491580963 919216357 /nfs/dbraw/zinc/21/63/57/919216357.db2.gz YBDUGJXLOVHMRL-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001491651457 919243486 /nfs/dbraw/zinc/24/34/86/919243486.db2.gz XBCCBWSKCATBIH-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP C[NH+](C)CCCC(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001491710757 919260165 /nfs/dbraw/zinc/26/01/65/919260165.db2.gz ACPIJPZTZXNWJV-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCCOC)C2)C1 ZINC001491773405 919272372 /nfs/dbraw/zinc/27/23/72/919272372.db2.gz DOGPWZWIVBBOKU-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCCOC)C2)C1 ZINC001491773405 919272386 /nfs/dbraw/zinc/27/23/86/919272386.db2.gz DOGPWZWIVBBOKU-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001491876726 919295551 /nfs/dbraw/zinc/29/55/51/919295551.db2.gz IDAZERCKLGXPTF-VXGBXAGGSA-N 2 1 296.415 -0.027 20 0 CBADMP Cc1nc(C)n(CC[N@H+](C)CCNC(=O)CC[NH+](C)C)n1 ZINC001492402136 919407776 /nfs/dbraw/zinc/40/77/76/919407776.db2.gz JJJBNTZEVCOCCF-UHFFFAOYSA-N 2 1 296.419 -0.105 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)CCCO)C1 ZINC001492420994 919412698 /nfs/dbraw/zinc/41/26/98/919412698.db2.gz FUCWXBIKXRXSNF-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)CCCO)C1 ZINC001492420994 919412705 /nfs/dbraw/zinc/41/27/05/919412705.db2.gz FUCWXBIKXRXSNF-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)CCCO)C1 ZINC001492420994 919412716 /nfs/dbraw/zinc/41/27/16/919412716.db2.gz FUCWXBIKXRXSNF-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001492420419 919415618 /nfs/dbraw/zinc/41/56/18/919415618.db2.gz ARKOBUPUIKOQSG-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001492420419 919415631 /nfs/dbraw/zinc/41/56/31/919415631.db2.gz ARKOBUPUIKOQSG-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001492420419 919415643 /nfs/dbraw/zinc/41/56/43/919415643.db2.gz ARKOBUPUIKOQSG-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001492420419 919415652 /nfs/dbraw/zinc/41/56/52/919415652.db2.gz ARKOBUPUIKOQSG-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCN(C)[C@H](C)C(=O)N(C)C ZINC001492824063 919434375 /nfs/dbraw/zinc/43/43/75/919434375.db2.gz PZQSBKWZTOVCMA-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@H](C)C(=O)N(C)C ZINC001492824063 919434382 /nfs/dbraw/zinc/43/43/82/919434382.db2.gz PZQSBKWZTOVCMA-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@H](C)C(=O)N(C)C ZINC001492824063 919434395 /nfs/dbraw/zinc/43/43/95/919434395.db2.gz PZQSBKWZTOVCMA-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001492824063 919434409 /nfs/dbraw/zinc/43/44/09/919434409.db2.gz PZQSBKWZTOVCMA-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCN1CCCC1=O ZINC001492854913 919439027 /nfs/dbraw/zinc/43/90/27/919439027.db2.gz YCFYZTXDGUISRT-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CCN1CCCC1=O ZINC001492854913 919439041 /nfs/dbraw/zinc/43/90/41/919439041.db2.gz YCFYZTXDGUISRT-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCN1CCCC1=O ZINC001492854913 919439048 /nfs/dbraw/zinc/43/90/48/919439048.db2.gz YCFYZTXDGUISRT-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001492956580 919458640 /nfs/dbraw/zinc/45/86/40/919458640.db2.gz KMFZTIHMDNCYIW-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001492956580 919458651 /nfs/dbraw/zinc/45/86/51/919458651.db2.gz KMFZTIHMDNCYIW-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001492956580 919458656 /nfs/dbraw/zinc/45/86/56/919458656.db2.gz KMFZTIHMDNCYIW-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001492956580 919458668 /nfs/dbraw/zinc/45/86/68/919458668.db2.gz KMFZTIHMDNCYIW-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001493133491 919483538 /nfs/dbraw/zinc/48/35/38/919483538.db2.gz RXNWOAKFIGAHET-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493232586 919509916 /nfs/dbraw/zinc/50/99/16/919509916.db2.gz GCISHMXTVOMGEX-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP O=C(Cc1ncc[nH]1)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001493250134 919510466 /nfs/dbraw/zinc/51/04/66/919510466.db2.gz MZKUUZUZGUTGGS-JTQLQIEISA-N 2 1 252.318 -0.617 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001493235661 919510606 /nfs/dbraw/zinc/51/06/06/919510606.db2.gz XELLTGPBQUAROO-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001493262304 919514271 /nfs/dbraw/zinc/51/42/71/919514271.db2.gz FQMUHJRPYKXZRO-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001493260774 919515432 /nfs/dbraw/zinc/51/54/32/919515432.db2.gz UHZWUDMNSGDWHY-LBPRGKRZSA-N 2 1 282.388 -0.734 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(N)=O ZINC001493332176 919527200 /nfs/dbraw/zinc/52/72/00/919527200.db2.gz MGPJHXPCTXRQIU-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(N)=O ZINC001493332176 919527212 /nfs/dbraw/zinc/52/72/12/919527212.db2.gz MGPJHXPCTXRQIU-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(N)=O ZINC001493332176 919527224 /nfs/dbraw/zinc/52/72/24/919527224.db2.gz MGPJHXPCTXRQIU-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(N)=O ZINC001493332176 919527234 /nfs/dbraw/zinc/52/72/34/919527234.db2.gz MGPJHXPCTXRQIU-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP C[C@@H](O)C[N@@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001493408096 919539149 /nfs/dbraw/zinc/53/91/49/919539149.db2.gz VUTLBIPWPXSIID-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP CN(CC[NH2+]Cc1cnn(C)c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001493507142 919565790 /nfs/dbraw/zinc/56/57/90/919565790.db2.gz FDRCBBGAXZXFLU-CYBMUJFWSA-N 2 1 295.387 -0.701 20 0 CBADMP CN(CC[NH2+]Cc1cnn(C)c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001493507142 919565801 /nfs/dbraw/zinc/56/58/01/919565801.db2.gz FDRCBBGAXZXFLU-CYBMUJFWSA-N 2 1 295.387 -0.701 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001493550844 919576974 /nfs/dbraw/zinc/57/69/74/919576974.db2.gz JZOIVJFYAODDNQ-YNEHKIRRSA-N 2 1 298.431 -0.149 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(N)=O)CC[N@H+]1C ZINC001493550827 919579219 /nfs/dbraw/zinc/57/92/19/919579219.db2.gz JWRSVQWRBDVBMP-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]([NH2+]CCN(C)C(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001493578332 919585405 /nfs/dbraw/zinc/58/54/05/919585405.db2.gz IHNCASGZFPLXCZ-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP CN(CC[NH2+]CC(N)=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001493584125 919586866 /nfs/dbraw/zinc/58/68/66/919586866.db2.gz KNXJOUQPTUZJPB-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001493725841 919613663 /nfs/dbraw/zinc/61/36/63/919613663.db2.gz NSKCITFRCUMIJB-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)COC)C1 ZINC001493800975 919624963 /nfs/dbraw/zinc/62/49/63/919624963.db2.gz OTZYLAXBULWZRU-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)COC)C1 ZINC001493800975 919624970 /nfs/dbraw/zinc/62/49/70/919624970.db2.gz OTZYLAXBULWZRU-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001494149379 919661295 /nfs/dbraw/zinc/66/12/95/919661295.db2.gz ZUGMGFDEJIHUBP-LBPRGKRZSA-N 2 1 293.371 -0.543 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001494149379 919661306 /nfs/dbraw/zinc/66/13/06/919661306.db2.gz ZUGMGFDEJIHUBP-LBPRGKRZSA-N 2 1 293.371 -0.543 20 0 CBADMP C[N@@H+](CCO)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494182000 919665709 /nfs/dbraw/zinc/66/57/09/919665709.db2.gz VMHRJFZUYWCSKH-QWHCGFSZSA-N 2 1 269.389 -0.289 20 0 CBADMP C[NH+](CCO)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001494182000 919665716 /nfs/dbraw/zinc/66/57/16/919665716.db2.gz VMHRJFZUYWCSKH-QWHCGFSZSA-N 2 1 269.389 -0.289 20 0 CBADMP C[NH+](CCO)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494182000 919665725 /nfs/dbraw/zinc/66/57/25/919665725.db2.gz VMHRJFZUYWCSKH-QWHCGFSZSA-N 2 1 269.389 -0.289 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001494180217 919666329 /nfs/dbraw/zinc/66/63/29/919666329.db2.gz IMAYNNCHBOQCPE-GFCCVEGCSA-N 2 1 293.371 -0.543 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001494180217 919666334 /nfs/dbraw/zinc/66/63/34/919666334.db2.gz IMAYNNCHBOQCPE-GFCCVEGCSA-N 2 1 293.371 -0.543 20 0 CBADMP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOCCO ZINC001494683858 919767259 /nfs/dbraw/zinc/76/72/59/919767259.db2.gz YWIDNBLOKZEAQM-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOCCO ZINC001494683858 919767276 /nfs/dbraw/zinc/76/72/76/919767276.db2.gz YWIDNBLOKZEAQM-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOCCO ZINC001494683858 919767292 /nfs/dbraw/zinc/76/72/92/919767292.db2.gz YWIDNBLOKZEAQM-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOCCO ZINC001494683858 919767306 /nfs/dbraw/zinc/76/73/06/919767306.db2.gz YWIDNBLOKZEAQM-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001494855863 919804785 /nfs/dbraw/zinc/80/47/85/919804785.db2.gz IVYBYQIKNLDBDZ-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001494855863 919804797 /nfs/dbraw/zinc/80/47/97/919804797.db2.gz IVYBYQIKNLDBDZ-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001494855863 919804812 /nfs/dbraw/zinc/80/48/12/919804812.db2.gz IVYBYQIKNLDBDZ-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001494855863 919804828 /nfs/dbraw/zinc/80/48/28/919804828.db2.gz IVYBYQIKNLDBDZ-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnn(C)n1 ZINC001495107026 919864458 /nfs/dbraw/zinc/86/44/58/919864458.db2.gz HBHICGGJNUYZNI-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc1cnc[nH]1 ZINC001496084872 920024507 /nfs/dbraw/zinc/02/45/07/920024507.db2.gz YOFCFCIXACAYTD-GHMZBOCLSA-N 2 1 295.387 -0.087 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001496143688 920032273 /nfs/dbraw/zinc/03/22/73/920032273.db2.gz DZIBDYXICGCWHW-TUAOUCFPSA-N 2 1 284.404 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001496208043 920041574 /nfs/dbraw/zinc/04/15/74/920041574.db2.gz BISSIHYEAJJOFG-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CCNC(=O)CC[NH+](C)C ZINC001496512008 920080268 /nfs/dbraw/zinc/08/02/68/920080268.db2.gz RFIPTAYSJJCELI-UHFFFAOYSA-N 2 1 295.387 -0.282 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001496816426 920138001 /nfs/dbraw/zinc/13/80/01/920138001.db2.gz HZVOOBQHUHIVOC-LBPRGKRZSA-N 2 1 294.399 -0.639 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001496816426 920138006 /nfs/dbraw/zinc/13/80/06/920138006.db2.gz HZVOOBQHUHIVOC-LBPRGKRZSA-N 2 1 294.399 -0.639 20 0 CBADMP CC(C)[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001496997326 920196899 /nfs/dbraw/zinc/19/68/99/920196899.db2.gz TYUULLLPHQULEK-GFCCVEGCSA-N 2 1 257.378 -0.054 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCCF ZINC001497001010 920201870 /nfs/dbraw/zinc/20/18/70/920201870.db2.gz GJBHQUBZTQXGLD-VXGBXAGGSA-N 2 1 275.368 -0.103 20 0 CBADMP CCOCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001497033659 920219945 /nfs/dbraw/zinc/21/99/45/920219945.db2.gz SIBYWSILPJGFRM-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001497154528 920264879 /nfs/dbraw/zinc/26/48/79/920264879.db2.gz LDURYXBJWACMJZ-ZJUUUORDSA-N 2 1 256.350 -0.950 20 0 CBADMP C[C@@H](CC[NH2+]CCO)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001497313375 920282019 /nfs/dbraw/zinc/28/20/19/920282019.db2.gz RJCDHTRUIBVOIS-JSGCOSHPSA-N 2 1 269.389 -0.051 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001497362762 920294961 /nfs/dbraw/zinc/29/49/61/920294961.db2.gz UEWPZWMBGNRGSW-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](O)CCC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001497552833 920335044 /nfs/dbraw/zinc/33/50/44/920335044.db2.gz SJTQLINHYLMBOD-KBIGUFJUSA-N 2 1 299.415 -0.260 20 0 CBADMP C[C@H](O)CCC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001497552833 920335058 /nfs/dbraw/zinc/33/50/58/920335058.db2.gz SJTQLINHYLMBOD-KBIGUFJUSA-N 2 1 299.415 -0.260 20 0 CBADMP C[C@H](C[NH2+]CCn1cccn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001497798981 920391178 /nfs/dbraw/zinc/39/11/78/920391178.db2.gz KTFZKTOJQRPIIH-OLZOCXBDSA-N 2 1 295.387 -0.692 20 0 CBADMP C[C@H](C[NH2+]CCn1cccn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001497798981 920391194 /nfs/dbraw/zinc/39/11/94/920391194.db2.gz KTFZKTOJQRPIIH-OLZOCXBDSA-N 2 1 295.387 -0.692 20 0 CBADMP C[C@H](C[NH2+]CCF)NC(=O)CC[NH+]1CCOCC1 ZINC001497942878 920425504 /nfs/dbraw/zinc/42/55/04/920425504.db2.gz JULVAPYNTZJUGQ-LLVKDONJSA-N 2 1 261.341 -0.228 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cnnn1C ZINC001497969268 920429149 /nfs/dbraw/zinc/42/91/49/920429149.db2.gz ODHFZJJYOQPQMH-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001498246615 920530057 /nfs/dbraw/zinc/53/00/57/920530057.db2.gz IZFLKHUUAMUODU-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001498246615 920530068 /nfs/dbraw/zinc/53/00/68/920530068.db2.gz IZFLKHUUAMUODU-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001498246615 920530080 /nfs/dbraw/zinc/53/00/80/920530080.db2.gz IZFLKHUUAMUODU-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001498246615 920530088 /nfs/dbraw/zinc/53/00/88/920530088.db2.gz IZFLKHUUAMUODU-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001498246780 920533372 /nfs/dbraw/zinc/53/33/72/920533372.db2.gz JWLYSSJIBJCXGH-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001498246780 920533387 /nfs/dbraw/zinc/53/33/87/920533387.db2.gz JWLYSSJIBJCXGH-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001498246780 920533397 /nfs/dbraw/zinc/53/33/97/920533397.db2.gz JWLYSSJIBJCXGH-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001498246780 920533411 /nfs/dbraw/zinc/53/34/11/920533411.db2.gz JWLYSSJIBJCXGH-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001498373937 920564679 /nfs/dbraw/zinc/56/46/79/920564679.db2.gz AQAWGGOHWJNQDE-SNVBAGLBSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001498373937 920564686 /nfs/dbraw/zinc/56/46/86/920564686.db2.gz AQAWGGOHWJNQDE-SNVBAGLBSA-N 2 1 270.377 -0.750 20 0 CBADMP CCN1CC[C@@H]([N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001498394684 920571648 /nfs/dbraw/zinc/57/16/48/920571648.db2.gz LGHOVPONOSHFKI-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001498391647 920572285 /nfs/dbraw/zinc/57/22/85/920572285.db2.gz BUQXDMZZTUFFGH-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001498391647 920572301 /nfs/dbraw/zinc/57/23/01/920572301.db2.gz BUQXDMZZTUFFGH-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)CCc1cnc[nH]1 ZINC001498558163 920610661 /nfs/dbraw/zinc/61/06/61/920610661.db2.gz CPBMTZVYIYTCJI-LLVKDONJSA-N 2 1 295.387 -0.085 20 0 CBADMP CN(CCC[NH2+]CCO)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001498647223 920623010 /nfs/dbraw/zinc/62/30/10/920623010.db2.gz BSFVHNXHFHQDMY-AWEZNQCLSA-N 2 1 269.389 -0.097 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C[NH2+][C@H](C)C(N)=O)C1CC1 ZINC001498861841 920649441 /nfs/dbraw/zinc/64/94/41/920649441.db2.gz GANQSEDKODHZBA-SKDRFNHKSA-N 2 1 293.371 -0.450 20 0 CBADMP C[C@H](O)C[NH+]1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001499764994 920770023 /nfs/dbraw/zinc/77/00/23/920770023.db2.gz IKXRIYHLXXYZDB-LBPRGKRZSA-N 2 1 299.415 -0.379 20 0 CBADMP C[NH+](C)CCCC(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001499994238 920792488 /nfs/dbraw/zinc/79/24/88/920792488.db2.gz MLOYCLYTIZFRHL-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001500282020 920825267 /nfs/dbraw/zinc/82/52/67/920825267.db2.gz YQZNRXHJDLBIGF-SMDDNHRTSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001500282020 920825283 /nfs/dbraw/zinc/82/52/83/920825283.db2.gz YQZNRXHJDLBIGF-SMDDNHRTSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)C1 ZINC001500282020 920825295 /nfs/dbraw/zinc/82/52/95/920825295.db2.gz YQZNRXHJDLBIGF-SMDDNHRTSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)C1 ZINC001500282020 920825306 /nfs/dbraw/zinc/82/53/06/920825306.db2.gz YQZNRXHJDLBIGF-SMDDNHRTSA-N 2 1 282.388 -0.606 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CCCO)C1 ZINC001500767277 920876576 /nfs/dbraw/zinc/87/65/76/920876576.db2.gz YKPAZYWPOQOHIB-CQSZACIVSA-N 2 1 287.404 -0.738 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001500767277 920876594 /nfs/dbraw/zinc/87/65/94/920876594.db2.gz YKPAZYWPOQOHIB-CQSZACIVSA-N 2 1 287.404 -0.738 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001500767277 920876608 /nfs/dbraw/zinc/87/66/08/920876608.db2.gz YKPAZYWPOQOHIB-CQSZACIVSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001500765693 920879311 /nfs/dbraw/zinc/87/93/11/920879311.db2.gz FTDDMXFIJHSUHU-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001500765693 920879319 /nfs/dbraw/zinc/87/93/19/920879319.db2.gz FTDDMXFIJHSUHU-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001500765693 920879332 /nfs/dbraw/zinc/87/93/32/920879332.db2.gz FTDDMXFIJHSUHU-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001501400905 920996225 /nfs/dbraw/zinc/99/62/25/920996225.db2.gz ZYYDKGABSKIAHV-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001501400905 920996238 /nfs/dbraw/zinc/99/62/38/920996238.db2.gz ZYYDKGABSKIAHV-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCCO)C2)C1 ZINC001501551430 921036518 /nfs/dbraw/zinc/03/65/18/921036518.db2.gz BKJGWNLNMSPBIB-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCCO)C2)C1 ZINC001501551430 921036528 /nfs/dbraw/zinc/03/65/28/921036528.db2.gz BKJGWNLNMSPBIB-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001507406027 921820813 /nfs/dbraw/zinc/82/08/13/921820813.db2.gz BTJGSKMQCJQKRS-RYUDHWBXSA-N 2 1 293.371 -0.449 20 0 CBADMP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001507472461 921840154 /nfs/dbraw/zinc/84/01/54/921840154.db2.gz VBXLSUONRJIOTJ-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001507484493 921846367 /nfs/dbraw/zinc/84/63/67/921846367.db2.gz DMAOWYNVOLUBJW-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001508028373 921904774 /nfs/dbraw/zinc/90/47/74/921904774.db2.gz BJYZNJBTYSWEBN-NSHDSACASA-N 2 1 286.420 -0.066 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)CN1CCC(CO)CC1 ZINC001514603920 922209180 /nfs/dbraw/zinc/20/91/80/922209180.db2.gz JUYOJNJTNQVMJQ-GFCCVEGCSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001515318445 922231262 /nfs/dbraw/zinc/23/12/62/922231262.db2.gz LSZNZNBAMPLOTM-SDDRHHMPSA-N 2 1 255.362 -0.219 20 0 CBADMP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001515319700 922232542 /nfs/dbraw/zinc/23/25/42/922232542.db2.gz XLVFXGKPVHQWRV-ZDEQEGDKSA-N 2 1 267.373 -0.219 20 0 CBADMP C[C@@H](NC(=O)C1([NH3+])CCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001515357831 922232760 /nfs/dbraw/zinc/23/27/60/922232760.db2.gz ITFUSTHCNNSMOY-MNOVXSKESA-N 2 1 254.378 -0.382 20 0 CBADMP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001515317279 922232999 /nfs/dbraw/zinc/23/29/99/922232999.db2.gz AHVBAAYMGCNAFB-IJLUTSLNSA-N 2 1 255.362 -0.219 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C)C[NH+](C)C ZINC001520191654 922300639 /nfs/dbraw/zinc/30/06/39/922300639.db2.gz NMRKBDJNNXAMRH-FRRDWIJNSA-N 2 1 268.405 -0.311 20 0 CBADMP C[NH+]1CC(N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001520660629 922314233 /nfs/dbraw/zinc/31/42/33/922314233.db2.gz RHQOAQYZYOGAQE-UHFFFAOYSA-N 2 1 266.389 -0.460 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1CC[NH2+]CC1 ZINC001521144920 922333081 /nfs/dbraw/zinc/33/30/81/922333081.db2.gz HFRNCQBXYKSRCC-CMPLNLGQSA-N 2 1 252.362 -0.757 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001521159280 922335988 /nfs/dbraw/zinc/33/59/88/922335988.db2.gz ZPXNJQLIIONCTD-IJLUTSLNSA-N 2 1 254.378 -0.511 20 0 CBADMP C[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H](O)C[NH2+]1 ZINC001521438173 922356822 /nfs/dbraw/zinc/35/68/22/922356822.db2.gz BPWDAJHVSUJABR-OWTLIXCDSA-N 2 1 267.373 -0.158 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C[C@H](O)C[NH3+])C1 ZINC001521482886 922360102 /nfs/dbraw/zinc/36/01/02/922360102.db2.gz XMRBAADROCWCLI-RYUDHWBXSA-N 2 1 257.378 -0.210 20 0 CBADMP C[C@]1(C(=O)N2CC[NH+](C3CCC3)CC2)C[C@@H](O)C[NH2+]1 ZINC001521482052 922361006 /nfs/dbraw/zinc/36/10/06/922361006.db2.gz CSFPYJIHZVOXHH-TZMCWYRMSA-N 2 1 267.373 -0.204 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001521495828 922361417 /nfs/dbraw/zinc/36/14/17/922361417.db2.gz LYRBJVJZPKVQKK-QWHCGFSZSA-N 2 1 268.405 -0.310 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001521495829 922362367 /nfs/dbraw/zinc/36/23/67/922362367.db2.gz LYRBJVJZPKVQKK-STQMWFEESA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001521526669 922367230 /nfs/dbraw/zinc/36/72/30/922367230.db2.gz FTVKEDYBMCTYML-QJPTWQEYSA-N 2 1 252.362 -0.676 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N3CCC[C@@H]3C[NH3+])cc2C[NH2+]1 ZINC001522494013 922428761 /nfs/dbraw/zinc/42/87/61/922428761.db2.gz CBOVADXLKBCHGW-VHSXEESVSA-N 2 1 263.345 -0.062 20 0 CBADMP CC[C@H](C(=O)NCCNC(=O)C[N@@H+](C)C(C)C)[NH+](C)C ZINC001522697000 922506249 /nfs/dbraw/zinc/50/62/49/922506249.db2.gz GUVWDKRAAQGCCN-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC001523009865 922558218 /nfs/dbraw/zinc/55/82/18/922558218.db2.gz KKSKMNLVBGINND-DGCLKSJQSA-N 2 1 255.362 -0.360 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC001523009866 922559068 /nfs/dbraw/zinc/55/90/68/922559068.db2.gz KKSKMNLVBGINND-WCQYABFASA-N 2 1 255.362 -0.360 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001523507115 922597092 /nfs/dbraw/zinc/59/70/92/922597092.db2.gz JGPSEEQZOMELLL-MLGHIDQZSA-N 2 1 264.373 -0.616 20 0 CBADMP C[C@@H](NC(=O)C1(C)C[NH2+]C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001524028516 922613387 /nfs/dbraw/zinc/61/33/87/922613387.db2.gz CCWSVBGEVQJXBH-MNOVXSKESA-N 2 1 254.378 -0.654 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001524028538 922614183 /nfs/dbraw/zinc/61/41/83/922614183.db2.gz CFKFMTFTWWYTQB-QJPTWQEYSA-N 2 1 256.394 -0.408 20 0 CBADMP O=C([C@H]1CCC[NH2+]1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001524009957 922614911 /nfs/dbraw/zinc/61/49/11/922614911.db2.gz ZCILDLHYGDOCJL-FRRDWIJNSA-N 2 1 267.373 -0.204 20 0 CBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C[C@@H](O)C[NH3+])C[C@H](C)O1 ZINC001548551052 923377379 /nfs/dbraw/zinc/37/73/79/923377379.db2.gz LROXOPRXOHQXAO-RFQIPJPRSA-N 2 1 299.415 -0.204 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001548558383 923382485 /nfs/dbraw/zinc/38/24/85/923382485.db2.gz IOMAYFDJSUEYKW-HNNXBMFYSA-N 2 1 299.415 -0.328 20 0 CBADMP O=C(NCC[C@H]1CSCC[NH2+]1)[C@@H]1COCC[NH2+]1 ZINC001548562445 923387221 /nfs/dbraw/zinc/38/72/21/923387221.db2.gz DAOCUBXTKWWNBY-UWVGGRQHSA-N 2 1 259.375 -0.814 20 0 CBADMP O=C([C@H]1CSC[NH2+]1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001548586902 923406527 /nfs/dbraw/zinc/40/65/27/923406527.db2.gz ZSRZCYJTSQNPNW-SNVBAGLBSA-N 2 1 271.386 -0.370 20 0 CBADMP O=C([C@@H]1CSC[NH2+]1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001548590572 923407820 /nfs/dbraw/zinc/40/78/20/923407820.db2.gz KGJCCZAJKWTHEE-NSHDSACASA-N 2 1 271.386 -0.372 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CCCCC1 ZINC001548625877 923411920 /nfs/dbraw/zinc/41/19/20/923411920.db2.gz RJDUICWMPUWRFQ-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CCSCC1 ZINC001548646087 923428195 /nfs/dbraw/zinc/42/81/95/923428195.db2.gz KVRAKYABFUVKCZ-OLZOCXBDSA-N 2 1 298.456 -0.460 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CCSCC1 ZINC001548646087 923428203 /nfs/dbraw/zinc/42/82/03/923428203.db2.gz KVRAKYABFUVKCZ-OLZOCXBDSA-N 2 1 298.456 -0.460 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC001548695910 923457323 /nfs/dbraw/zinc/45/73/23/923457323.db2.gz VTQYILQGQIJLIP-YIYPIFLZSA-N 2 1 278.400 -0.605 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001548695910 923457334 /nfs/dbraw/zinc/45/73/34/923457334.db2.gz VTQYILQGQIJLIP-YIYPIFLZSA-N 2 1 278.400 -0.605 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001548695910 923457349 /nfs/dbraw/zinc/45/73/49/923457349.db2.gz VTQYILQGQIJLIP-YIYPIFLZSA-N 2 1 278.400 -0.605 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC001548708147 923467158 /nfs/dbraw/zinc/46/71/58/923467158.db2.gz JWXNQMBYFNLPBB-AAVRWANBSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC001548708147 923467168 /nfs/dbraw/zinc/46/71/68/923467168.db2.gz JWXNQMBYFNLPBB-AAVRWANBSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC001548708147 923467173 /nfs/dbraw/zinc/46/71/73/923467173.db2.gz JWXNQMBYFNLPBB-AAVRWANBSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)C[C@H](C)[N@@H+]1C ZINC001548711150 923471456 /nfs/dbraw/zinc/47/14/56/923471456.db2.gz SZNIFCNOOCJBAR-CRWXNKLISA-N 2 1 280.416 -0.074 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C[C@H](C)[NH+]1C ZINC001548711150 923471467 /nfs/dbraw/zinc/47/14/67/923471467.db2.gz SZNIFCNOOCJBAR-CRWXNKLISA-N 2 1 280.416 -0.074 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C[C@H](C)[NH+]1C ZINC001548711150 923471500 /nfs/dbraw/zinc/47/15/00/923471500.db2.gz SZNIFCNOOCJBAR-CRWXNKLISA-N 2 1 280.416 -0.074 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC001548723061 923473321 /nfs/dbraw/zinc/47/33/21/923473321.db2.gz CJYQABMLLZXVLI-LXTVHRRPSA-N 2 1 292.427 -0.073 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC001548723061 923473331 /nfs/dbraw/zinc/47/33/31/923473331.db2.gz CJYQABMLLZXVLI-LXTVHRRPSA-N 2 1 292.427 -0.073 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC001548728072 923479987 /nfs/dbraw/zinc/47/99/87/923479987.db2.gz RTQIAHJEVYOFLZ-XPKDYRNWSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001548725922 923481604 /nfs/dbraw/zinc/48/16/04/923481604.db2.gz KTOUJLZUJJZMTK-BARDWOONSA-N 2 1 292.427 -0.215 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC001548725922 923481611 /nfs/dbraw/zinc/48/16/11/923481611.db2.gz KTOUJLZUJJZMTK-BARDWOONSA-N 2 1 292.427 -0.215 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC001548725922 923481624 /nfs/dbraw/zinc/48/16/24/923481624.db2.gz KTOUJLZUJJZMTK-BARDWOONSA-N 2 1 292.427 -0.215 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@](O)(C[NH+](C)C)C2)C1 ZINC001548745575 923490473 /nfs/dbraw/zinc/49/04/73/923490473.db2.gz DYPKJJZZOIJUKR-JSGCOSHPSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@](O)(C[NH+](C)C)C2)C1 ZINC001548745575 923490486 /nfs/dbraw/zinc/49/04/86/923490486.db2.gz DYPKJJZZOIJUKR-JSGCOSHPSA-N 2 1 285.388 -0.768 20 0 CBADMP Cn1nccc1[C@H]1[C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)CC(=O)N1C ZINC001549043932 923530731 /nfs/dbraw/zinc/53/07/31/923530731.db2.gz RFNIVFCLQHDAPW-UHIISALHSA-N 2 1 277.372 -0.109 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC001549045221 923538722 /nfs/dbraw/zinc/53/87/22/923538722.db2.gz ORSAIVRSGAQQKF-NEPJUHHUSA-N 2 1 277.372 -0.107 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC001549045422 923540136 /nfs/dbraw/zinc/54/01/36/923540136.db2.gz XQXHKDMSDAEDCJ-RKDXNWHRSA-N 2 1 287.314 -0.125 20 0 CBADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC001549046875 923543028 /nfs/dbraw/zinc/54/30/28/923543028.db2.gz YRTMPADEGYQMAS-CMPLNLGQSA-N 2 1 282.388 -0.574 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC001549075275 923554036 /nfs/dbraw/zinc/55/40/36/923554036.db2.gz QVIIULXRWQXPLA-AWEZNQCLSA-N 2 1 298.431 -0.410 20 0 CBADMP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@H]1COCC[NH2+]1)C2 ZINC001549128815 923559792 /nfs/dbraw/zinc/55/97/92/923559792.db2.gz ORMZMZYCGHQJRJ-WZRBSPASSA-N 2 1 253.346 -0.438 20 0 CBADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)[C@H]3COCC[NH2+]3)C2)C1 ZINC001549124134 923560557 /nfs/dbraw/zinc/56/05/57/923560557.db2.gz NXWQIZVCYVEJRJ-DGAVXFQQSA-N 2 1 297.399 -0.280 20 0 CBADMP Cn1cc([C@H]2CN(C(=O)CC(F)(F)C[NH3+])C[C@H]2[NH3+])cn1 ZINC001549135854 923562656 /nfs/dbraw/zinc/56/26/56/923562656.db2.gz FNFXQCZCRROPQR-NXEZZACHSA-N 2 1 287.314 -0.343 20 0 CBADMP CN(C(=O)NC[C@H]1C[NH2+]CCCO1)[C@H]1CC[N@@H+](C)C1 ZINC001549211093 923571389 /nfs/dbraw/zinc/57/13/89/923571389.db2.gz TYTYDBMYBDJQGU-NWDGAFQWSA-N 2 1 270.377 -0.290 20 0 CBADMP CO[C@@H]1C[C@H](C(=O)NC2CC(N3CCOCC3)C2)[N@@H+](C)C1 ZINC001549624176 923618201 /nfs/dbraw/zinc/61/82/01/923618201.db2.gz PDPDXQXCCHXDID-NWINJMCUSA-N 2 1 297.399 -0.315 20 0 CBADMP CO[C@@H]1C[C@H](C(=O)NC2CC(N3CCOCC3)C2)N(C)C1 ZINC001549624176 923618210 /nfs/dbraw/zinc/61/82/10/923618210.db2.gz PDPDXQXCCHXDID-NWINJMCUSA-N 2 1 297.399 -0.315 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[N@H+]2C[C@H](O)C[C@@H]2C1 ZINC001549614151 923619120 /nfs/dbraw/zinc/61/91/20/923619120.db2.gz FYUONHYHKPMQRB-JHJVBQTASA-N 2 1 294.399 -0.269 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001550074000 923666911 /nfs/dbraw/zinc/66/69/11/923666911.db2.gz DYEKFEOROZWFCB-DCAQKATOSA-N 2 1 253.346 -0.236 20 0 CBADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC001550092287 923676226 /nfs/dbraw/zinc/67/62/26/923676226.db2.gz MVQLEEXDBITGLS-LLVKDONJSA-N 2 1 282.388 -0.334 20 0 CBADMP C[C@@H]1[C@@H](C(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)CC[N@H+]1C ZINC001550096573 923678530 /nfs/dbraw/zinc/67/85/30/923678530.db2.gz LISYPGKNFMCJFW-RTXFEEFZSA-N 2 1 292.387 -0.150 20 0 CBADMP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC001550103753 923683477 /nfs/dbraw/zinc/68/34/77/923683477.db2.gz ISPQDEYINHXFBD-UMVBOHGHSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001550103590 923684738 /nfs/dbraw/zinc/68/47/38/923684738.db2.gz DDSWEADXCBVWBQ-CYDGBPFRSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001550103590 923684745 /nfs/dbraw/zinc/68/47/45/923684745.db2.gz DDSWEADXCBVWBQ-CYDGBPFRSA-N 2 1 267.373 -0.084 20 0 CBADMP [NH3+]CC12CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)(C1)C2 ZINC001550118200 923689692 /nfs/dbraw/zinc/68/96/92/923689692.db2.gz PXRSHIFWEVDWFD-BCVKRFQSSA-N 2 1 265.357 -0.153 20 0 CBADMP C[C@H]([NH3+])CCC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001550117075 923690833 /nfs/dbraw/zinc/69/08/33/923690833.db2.gz UMEVUMYVLDSXHJ-STQMWFEESA-N 2 1 268.405 -0.038 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)C3CC([NH3+])C3)C2)CC1 ZINC001550117127 923690904 /nfs/dbraw/zinc/69/09/04/923690904.db2.gz VYSIFKQVSUNYAF-WXRRBKDZSA-N 2 1 266.389 -0.428 20 0 CBADMP C[C@@H](C(=O)NC12CC(C[NH3+])(C1)C2)N1CC[NH+](C)CC1 ZINC001550118271 923691449 /nfs/dbraw/zinc/69/14/49/923691449.db2.gz AKCDGTIHWIVRMW-XGNXJENSSA-N 2 1 266.389 -0.380 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)C2)CC1 ZINC001550116765 923691481 /nfs/dbraw/zinc/69/14/81/923691481.db2.gz RPJWOOXYEPNBHI-BFHYXJOUSA-N 2 1 280.416 -0.038 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]([NH3+])C3CC3)C2)CC1 ZINC001550117058 923691812 /nfs/dbraw/zinc/69/18/12/923691812.db2.gz UHHNSHNTDQWLPF-KGLIPLIRSA-N 2 1 280.416 -0.038 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001550122402 923693448 /nfs/dbraw/zinc/69/34/48/923693448.db2.gz GDUALWWLFOFSFZ-COMQUAJESA-N 2 1 279.384 -0.083 20 0 CBADMP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)C1 ZINC001550124809 923694203 /nfs/dbraw/zinc/69/42/03/923694203.db2.gz WZJSZQHCFZRDEZ-UMVBOHGHSA-N 2 1 294.399 -0.369 20 0 CBADMP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC001550124809 923694213 /nfs/dbraw/zinc/69/42/13/923694213.db2.gz WZJSZQHCFZRDEZ-UMVBOHGHSA-N 2 1 294.399 -0.369 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001550186608 923707422 /nfs/dbraw/zinc/70/74/22/923707422.db2.gz VLUCQQNVZBINCK-AGIUHOORSA-N 2 1 297.399 -0.280 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001550186612 923707941 /nfs/dbraw/zinc/70/79/41/923707941.db2.gz VLUCQQNVZBINCK-JHJVBQTASA-N 2 1 297.399 -0.280 20 0 CBADMP N[C@H]1CN(C(=O)NCc2cccc3c2CC[NH2+]C3)C[C@H]1[NH3+] ZINC001550272410 923712167 /nfs/dbraw/zinc/71/21/67/923712167.db2.gz PCITUJXXUPOJNO-OKILXGFUSA-N 2 1 289.383 -0.488 20 0 CBADMP N[C@H]1CN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C[C@H]1[NH3+] ZINC001550267339 923712592 /nfs/dbraw/zinc/71/25/92/923712592.db2.gz UUOCKGXCXSFESH-HZSPNIEDSA-N 2 1 289.383 -0.447 20 0 CBADMP O=C([C@H]1COCC[NH2+]1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001550236034 923714438 /nfs/dbraw/zinc/71/44/38/923714438.db2.gz IONKBUGNBOZSPI-OCCSQVGLSA-N 2 1 267.373 -0.033 20 0 CBADMP [NH3+][C@H]1C[C@@H]([N@H+]2CC[C@H](CN3CCCC3=O)C2)[C@@H](O)C1 ZINC001550437272 923730844 /nfs/dbraw/zinc/73/08/44/923730844.db2.gz VSCCWHRVVNAGJN-RVMXOQNASA-N 2 1 267.373 -0.219 20 0 CBADMP C[C@@H]1C(=O)NCCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001551396840 923771859 /nfs/dbraw/zinc/77/18/59/923771859.db2.gz SQSVCLNPOOCPGL-YRGRVCCFSA-N 2 1 267.373 -0.035 20 0 CBADMP CNC(=O)[C@]12C[N@@H+](CC3CC([NH3+])C3)C[C@@H]1COCC2 ZINC001551412509 923780603 /nfs/dbraw/zinc/78/06/03/923780603.db2.gz VKXISGRNWQUHSL-YFTKGUKSSA-N 2 1 267.373 -0.192 20 0 CBADMP 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 923795521 /nfs/dbraw/zinc/79/55/21/923795521.db2.gz DMTDLZTXHJDSCF-DGMCESFYSA-N 2 1 279.384 -0.084 20 0 CBADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001551463401 923796687 /nfs/dbraw/zinc/79/66/87/923796687.db2.gz HMSOKFUWKCEBQX-DCAQKATOSA-N 2 1 277.328 -0.556 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)CC1 ZINC001551585602 923804174 /nfs/dbraw/zinc/80/41/74/923804174.db2.gz ZPKCIHZYGCINCO-ATWGWHJKSA-N 2 1 282.388 -0.426 20 0 CBADMP CC1(C)CN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)CC[N@H+]1CCO ZINC001551580177 923805157 /nfs/dbraw/zinc/80/51/57/923805157.db2.gz JZGZPPQEVODJHS-MQYJIDSJSA-N 2 1 296.415 -0.036 20 0 CBADMP C[C@H](NC(=O)NC1CC2(C[C@@H]2[NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC001551577365 923806114 /nfs/dbraw/zinc/80/61/14/923806114.db2.gz AUTOSODZYHKWFC-VKVJQFQGSA-N 2 1 282.388 -0.116 20 0 CBADMP C[C@H](NC(=O)NC1CC2(C[C@@H]2[NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC001551577365 923806128 /nfs/dbraw/zinc/80/61/28/923806128.db2.gz AUTOSODZYHKWFC-VKVJQFQGSA-N 2 1 282.388 -0.116 20 0 CBADMP C[C@@H]1CN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)C[C@H](C)[N@@H+]1CCO ZINC001551604299 923807790 /nfs/dbraw/zinc/80/77/90/923807790.db2.gz GBLPDHHLGWYPNM-SOULVHCYSA-N 2 1 296.415 -0.037 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551619257 923808444 /nfs/dbraw/zinc/80/84/44/923808444.db2.gz ZDCAKDMKCARSAT-WDBLDGLGSA-N 2 1 282.388 -0.426 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551619257 923808457 /nfs/dbraw/zinc/80/84/57/923808457.db2.gz ZDCAKDMKCARSAT-WDBLDGLGSA-N 2 1 282.388 -0.426 20 0 CBADMP C[N@H+]1CCCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC001552087608 923828394 /nfs/dbraw/zinc/82/83/94/923828394.db2.gz ZMPXEHVNHIRUAO-LLVKDONJSA-N 2 1 278.360 -0.410 20 0 CBADMP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)N2CC[NH+](C)CC2)cnn1C ZINC001552087010 923829036 /nfs/dbraw/zinc/82/90/36/923829036.db2.gz UFJXOXMCZFLUKM-ZIAGYGMSSA-N 2 1 291.399 -0.194 20 0 CBADMP C[C@@H]1C[NH+](CCN(C)C(=O)[C@@H]2C[NH2+]CCOC2)C[C@@H](C)O1 ZINC001552089399 923830540 /nfs/dbraw/zinc/83/05/40/923830540.db2.gz MOVUGOMXPQMERF-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552201586 923858007 /nfs/dbraw/zinc/85/80/07/923858007.db2.gz SMXKZEBLJVXSQX-DYEKYZERSA-N 2 1 283.372 -0.941 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552201112 923858039 /nfs/dbraw/zinc/85/80/39/923858039.db2.gz RKGZKOFWNKHRGY-YRGRVCCFSA-N 2 1 267.373 -0.320 20 0 CBADMP O=C(N1CC[NH+](C2CCC2)CC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201534 923858677 /nfs/dbraw/zinc/85/86/77/923858677.db2.gz PXZNWIANZDIWMT-SWLSCSKDSA-N 2 1 279.384 -0.081 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201390 923859855 /nfs/dbraw/zinc/85/98/55/923859855.db2.gz MSAHZMSNMZDNEP-WCQYABFASA-N 2 1 264.329 -0.456 20 0 CBADMP C[N@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552202470 923862299 /nfs/dbraw/zinc/86/22/99/923862299.db2.gz GTSCFZOWOTVSBZ-YPMHNXCESA-N 2 1 253.346 -0.614 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]1[NH+]1CC[C@H](O)C1 ZINC001552311663 923886751 /nfs/dbraw/zinc/88/67/51/923886751.db2.gz DFGRGQLTNFXVJO-XJFOESAGSA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1 ZINC001552311663 923886758 /nfs/dbraw/zinc/88/67/58/923886758.db2.gz DFGRGQLTNFXVJO-XJFOESAGSA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1 ZINC001552311663 923886766 /nfs/dbraw/zinc/88/67/66/923886766.db2.gz DFGRGQLTNFXVJO-XJFOESAGSA-N 2 1 296.415 -0.023 20 0 CBADMP [NH3+][C@H]1COCCN(C(=O)c2cnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC001552704252 923915459 /nfs/dbraw/zinc/91/54/59/923915459.db2.gz ONSCXJCNDPPGFQ-LLVKDONJSA-N 2 1 293.371 -0.324 20 0 CBADMP N[C@H]1CN(C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001552959916 923927559 /nfs/dbraw/zinc/92/75/59/923927559.db2.gz IGXWRKDEPLYVIV-SCRDCRAPSA-N 2 1 281.404 -0.458 20 0 CBADMP CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C[C@H]21 ZINC001553013788 923933937 /nfs/dbraw/zinc/93/39/37/923933937.db2.gz DRQUOJOXOIGRFV-MGPQQGTHSA-N 2 1 295.383 -0.704 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001553013965 923934253 /nfs/dbraw/zinc/93/42/53/923934253.db2.gz FSTIRUVTSPJUHM-NWDGAFQWSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[C@@H]1C(=O)N(C)CC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001553013615 923935168 /nfs/dbraw/zinc/93/51/68/923935168.db2.gz BXERXHWBIFDVLF-VXGBXAGGSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001553013615 923935176 /nfs/dbraw/zinc/93/51/76/923935176.db2.gz BXERXHWBIFDVLF-VXGBXAGGSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[C@H]1C(=O)N(C)CC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001553013607 923935855 /nfs/dbraw/zinc/93/58/55/923935855.db2.gz BXERXHWBIFDVLF-NEPJUHHUSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[C@H]1C(=O)N(C)CC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001553013607 923935862 /nfs/dbraw/zinc/93/58/62/923935862.db2.gz BXERXHWBIFDVLF-NEPJUHHUSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC([NH3+])CC3)C[NH2+]C[C@@H]2C1 ZINC001553345829 923950779 /nfs/dbraw/zinc/95/07/79/923950779.db2.gz XRTJHHHMSCMREV-RISCZKNCSA-N 3 1 266.389 -0.523 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CCC([NH3+])CC3)C[NH2+]C[C@@H]2C1 ZINC001553345829 923950795 /nfs/dbraw/zinc/95/07/95/923950795.db2.gz XRTJHHHMSCMREV-RISCZKNCSA-N 3 1 266.389 -0.523 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553350046 923952777 /nfs/dbraw/zinc/95/27/77/923952777.db2.gz RNEQJJSWGYNUSA-JSGCOSHPSA-N 3 1 266.389 -0.650 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CCC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553350046 923952784 /nfs/dbraw/zinc/95/27/84/923952784.db2.gz RNEQJJSWGYNUSA-JSGCOSHPSA-N 3 1 266.389 -0.650 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)C1 ZINC001553354402 923955618 /nfs/dbraw/zinc/95/56/18/923955618.db2.gz QVONYKFGETVGHS-YDHLFZDLSA-N 3 1 280.416 -0.404 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)C1 ZINC001553354402 923955624 /nfs/dbraw/zinc/95/56/24/923955624.db2.gz QVONYKFGETVGHS-YDHLFZDLSA-N 3 1 280.416 -0.404 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)CC[NH2+]1 ZINC001553353522 923956525 /nfs/dbraw/zinc/95/65/25/923956525.db2.gz GAPFUADVAKGKSG-BZPMIXESSA-N 3 1 266.389 -0.652 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)CC[NH2+]1 ZINC001553353522 923956539 /nfs/dbraw/zinc/95/65/39/923956539.db2.gz GAPFUADVAKGKSG-BZPMIXESSA-N 3 1 266.389 -0.652 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N3CCN(C)C[C@H]3C[NH3+])cc2C[NH2+]1 ZINC001553357630 923959889 /nfs/dbraw/zinc/95/98/89/923959889.db2.gz FMVFBQIYAOCAJK-CMPLNLGQSA-N 2 1 292.387 -0.910 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc3n(n2)C[C@@H](C)[NH2+]C3)CCO1 ZINC001553357696 923960136 /nfs/dbraw/zinc/96/01/36/923960136.db2.gz GUNIRTHSKBVXIB-GIPNMCIBSA-N 2 1 293.371 -0.437 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)NCC(C)(C)[NH3+])C[NH2+]C[C@H]2C1 ZINC001553358607 923960166 /nfs/dbraw/zinc/96/01/66/923960166.db2.gz QLFYFCLODPFHAN-GXFFZTMASA-N 3 1 254.378 -0.619 20 0 CBADMP CN1CC[C@@]2(C(=O)NCC(C)(C)[NH3+])C[NH2+]C[C@H]2C1 ZINC001553358607 923960179 /nfs/dbraw/zinc/96/01/79/923960179.db2.gz QLFYFCLODPFHAN-GXFFZTMASA-N 2 1 254.378 -0.619 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)C[C@@H](C)[NH2+]1 ZINC001553358708 923962363 /nfs/dbraw/zinc/96/23/63/923962363.db2.gz PPVYSEVXDXVHBL-CXTNEJHOSA-N 3 1 280.416 -0.264 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)C[C@@H](C)[NH2+]1 ZINC001553358708 923962374 /nfs/dbraw/zinc/96/23/74/923962374.db2.gz PPVYSEVXDXVHBL-CXTNEJHOSA-N 3 1 280.416 -0.264 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)C[C@@H](C)[NH2+]1 ZINC001553358706 923962758 /nfs/dbraw/zinc/96/27/58/923962758.db2.gz PPVYSEVXDXVHBL-BHPKHCPMSA-N 3 1 280.416 -0.264 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)C[C@@H](C)[NH2+]1 ZINC001553358706 923962777 /nfs/dbraw/zinc/96/27/77/923962777.db2.gz PPVYSEVXDXVHBL-BHPKHCPMSA-N 3 1 280.416 -0.264 20 0 CBADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCC(C(N)=O)CC3)C[NH2+]C[C@H]2C1 ZINC001553363054 923963886 /nfs/dbraw/zinc/96/38/86/923963886.db2.gz DWSGQFXDYQAFQG-SWLSCSKDSA-N 2 1 294.399 -0.748 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)N3CCC(C(N)=O)CC3)C[NH2+]C[C@H]2C1 ZINC001553363054 923963894 /nfs/dbraw/zinc/96/38/94/923963894.db2.gz DWSGQFXDYQAFQG-SWLSCSKDSA-N 2 1 294.399 -0.748 20 0 CBADMP CCCNC(=O)CNC(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553372476 923965579 /nfs/dbraw/zinc/96/55/79/923965579.db2.gz ADOCPAWRNQXGRK-BXUZGUMPSA-N 2 1 282.388 -0.830 20 0 CBADMP CN(CC(=O)NC1CC1)C(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553373316 923966081 /nfs/dbraw/zinc/96/60/81/923966081.db2.gz MMLQBROBLRHWBA-XHDPSFHLSA-N 2 1 294.399 -0.735 20 0 CBADMP CN(CC(=O)NC1CC1)C(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553373316 923966088 /nfs/dbraw/zinc/96/60/88/923966088.db2.gz MMLQBROBLRHWBA-XHDPSFHLSA-N 2 1 294.399 -0.735 20 0 CBADMP CC(C)NC(=O)CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553371065 923966183 /nfs/dbraw/zinc/96/61/83/923966183.db2.gz BBVKNAWBWSIURY-RISCZKNCSA-N 2 1 282.388 -0.832 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC(C(N)=O)CC3)C[NH2+]C[C@H]2C1 ZINC001553363055 923966482 /nfs/dbraw/zinc/96/64/82/923966482.db2.gz DWSGQFXDYQAFQG-WFASDCNBSA-N 2 1 294.399 -0.748 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CCC(C(N)=O)CC3)C[NH2+]C[C@H]2C1 ZINC001553363055 923966489 /nfs/dbraw/zinc/96/64/89/923966489.db2.gz DWSGQFXDYQAFQG-WFASDCNBSA-N 2 1 294.399 -0.748 20 0 CBADMP Cn1cc(NC(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)ccc1=O ZINC001553395797 923967660 /nfs/dbraw/zinc/96/76/60/923967660.db2.gz WMYYASKKBZUYQT-XHDPSFHLSA-N 2 1 290.367 -0.135 20 0 CBADMP Cn1ccc(NC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)n1 ZINC001553377379 923967963 /nfs/dbraw/zinc/96/79/63/923967963.db2.gz GDMIMHDJLYWFOO-MFKMUULPSA-N 2 1 263.345 -0.100 20 0 CBADMP COCCN(C)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553384507 923968541 /nfs/dbraw/zinc/96/85/41/923968541.db2.gz LVWPWKSEXCUKNN-DGCLKSJQSA-N 2 1 255.362 -0.368 20 0 CBADMP COCCN(C)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553384507 923968553 /nfs/dbraw/zinc/96/85/53/923968553.db2.gz LVWPWKSEXCUKNN-DGCLKSJQSA-N 2 1 255.362 -0.368 20 0 CBADMP Cn1nccc1NC(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553381939 923969416 /nfs/dbraw/zinc/96/94/16/923969416.db2.gz CAGYDFQYBBSSCV-ZWNOBZJWSA-N 2 1 263.345 -0.100 20 0 CBADMP CCNC(=O)CN(CC)C(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553401770 923972600 /nfs/dbraw/zinc/97/26/00/923972600.db2.gz ZGTBYKVNYFUPAT-SWLSCSKDSA-N 2 1 296.415 -0.488 20 0 CBADMP CCNC(=O)CN(CC)C(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553401770 923972612 /nfs/dbraw/zinc/97/26/12/923972612.db2.gz ZGTBYKVNYFUPAT-SWLSCSKDSA-N 2 1 296.415 -0.488 20 0 CBADMP CCN(CC(=O)N(C)C)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553396839 923972900 /nfs/dbraw/zinc/97/29/00/923972900.db2.gz LMJQQSUNKKQKQZ-WFASDCNBSA-N 2 1 296.415 -0.536 20 0 CBADMP CCN(CC(=O)N(C)C)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553396839 923972911 /nfs/dbraw/zinc/97/29/11/923972911.db2.gz LMJQQSUNKKQKQZ-WFASDCNBSA-N 2 1 296.415 -0.536 20 0 CBADMP Cn1cc(CCNC(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)cn1 ZINC001553403420 923975472 /nfs/dbraw/zinc/97/54/72/923975472.db2.gz YWABFGDGPGKTEP-DZGCQCFKSA-N 2 1 291.399 -0.380 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553404274 923977005 /nfs/dbraw/zinc/97/70/05/923977005.db2.gz DEDALIQIZDETBZ-GRYCIOLGSA-N 2 1 253.346 -0.330 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@H]1C ZINC001553404489 923978685 /nfs/dbraw/zinc/97/86/85/923978685.db2.gz AIUPMPYYENGINB-QMVSFRDZSA-N 2 1 297.399 -0.581 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@H]1C ZINC001553404489 923978695 /nfs/dbraw/zinc/97/86/95/923978695.db2.gz AIUPMPYYENGINB-QMVSFRDZSA-N 2 1 297.399 -0.581 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553407121 923979500 /nfs/dbraw/zinc/97/95/00/923979500.db2.gz GUHNONVEMYDCFU-WISYIIOYSA-N 2 1 253.346 -0.284 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553407124 923979715 /nfs/dbraw/zinc/97/97/15/923979715.db2.gz GUHNONVEMYDCFU-WYUUTHIRSA-N 2 1 253.346 -0.284 20 0 CBADMP C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553408985 923983958 /nfs/dbraw/zinc/98/39/58/923983958.db2.gz KKFXAKLGRLOQAQ-GRYCIOLGSA-N 2 1 253.346 -0.330 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553410696 923987657 /nfs/dbraw/zinc/98/76/57/923987657.db2.gz QRDAKJOWCQMRBL-WYUUTHIRSA-N 2 1 253.346 -0.426 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553413066 923988553 /nfs/dbraw/zinc/98/85/53/923988553.db2.gz PTNPAJSSSWWSAB-GRYCIOLGSA-N 2 1 264.329 -0.173 20 0 CBADMP 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 923996323 /nfs/dbraw/zinc/99/63/23/923996323.db2.gz RARBCKGWHWBMRG-WFQJECDVSA-N 2 1 295.383 -0.971 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C1 ZINC001553440568 924002304 /nfs/dbraw/zinc/00/23/04/924002304.db2.gz WCELYFATYRVVLJ-KKOKHZNYSA-N 2 1 252.362 -0.073 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553499395 924012463 /nfs/dbraw/zinc/01/24/63/924012463.db2.gz BCHDGNFCFQNKSG-XQQFMLRXSA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@H]([NH3+])CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553503196 924015884 /nfs/dbraw/zinc/01/58/84/924015884.db2.gz MEQCGLGPLAZYJI-FPMFFAJLSA-N 3 1 295.431 -0.056 20 0 CBADMP C[C@H]([NH3+])CNC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001553503196 924015900 /nfs/dbraw/zinc/01/59/00/924015900.db2.gz MEQCGLGPLAZYJI-FPMFFAJLSA-N 2 1 295.431 -0.056 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)NCC3(C[NH3+])CC3)C2)CC1 ZINC001553525496 924022047 /nfs/dbraw/zinc/02/20/47/924022047.db2.gz DRTIYCBGLUDRGT-CYBMUJFWSA-N 2 1 295.431 -0.243 20 0 CBADMP N[C@H]1CN(C(=O)N2CC[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H]1[NH3+] ZINC001553532153 924024892 /nfs/dbraw/zinc/02/48/92/924024892.db2.gz UQHCAUYDIOBIPE-WHOHXGKFSA-N 2 1 267.377 -0.992 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001553535203 924027096 /nfs/dbraw/zinc/02/70/96/924027096.db2.gz YWBVZMNWDRJCND-MCIONIFRSA-N 2 1 295.431 -0.374 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]C[C@@H]3F)C2)CC1 ZINC001553543860 924028040 /nfs/dbraw/zinc/02/80/40/924028040.db2.gz OUHHFCHSVMBULD-FRRDWIJNSA-N 2 1 299.394 -0.672 20 0 CBADMP C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)[C@@H](O)C1 ZINC001553647087 924032983 /nfs/dbraw/zinc/03/29/83/924032983.db2.gz GIVRUJYVKBMSNY-NDBYEHHHSA-N 2 1 267.373 -0.206 20 0 CBADMP C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)[C@@H](O)C1 ZINC001553647087 924032997 /nfs/dbraw/zinc/03/29/97/924032997.db2.gz GIVRUJYVKBMSNY-NDBYEHHHSA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)[C@@H](O)C1 ZINC001553647087 924033008 /nfs/dbraw/zinc/03/30/08/924033008.db2.gz GIVRUJYVKBMSNY-NDBYEHHHSA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)[C@@H](O)C1 ZINC001553647087 924033020 /nfs/dbraw/zinc/03/30/20/924033020.db2.gz GIVRUJYVKBMSNY-NDBYEHHHSA-N 2 1 267.373 -0.206 20 0 CBADMP [NH3+]C1CC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001553559086 924033288 /nfs/dbraw/zinc/03/32/88/924033288.db2.gz UZXUOKBMCMZDSG-TYUFSLCMSA-N 2 1 282.388 -0.283 20 0 CBADMP C[N@H+]1C[C@@H](O)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001553648530 924035894 /nfs/dbraw/zinc/03/58/94/924035894.db2.gz LPWRMUNSDNHXBB-NWDGAFQWSA-N 2 1 267.373 -0.347 20 0 CBADMP C[N@H+]1C[C@H](O)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001553648531 924036672 /nfs/dbraw/zinc/03/66/72/924036672.db2.gz LPWRMUNSDNHXBB-RYUDHWBXSA-N 2 1 267.373 -0.347 20 0 CBADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H](CO)C[NH+](C)C)o1 ZINC001556504092 924062549 /nfs/dbraw/zinc/06/25/49/924062549.db2.gz KATCOZQWLPOASY-SNVBAGLBSA-N 2 1 269.345 -0.007 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H](CO)Cc2cnc[nH]2)CC[N@@H+]1C ZINC001558026844 924147026 /nfs/dbraw/zinc/14/70/26/924147026.db2.gz JSGPMQXBAZAEQI-ADEWGFFLSA-N 2 1 266.345 -0.231 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H](CO)Cc2cnc[nH]2)CC[N@H+]1C ZINC001558026844 924147035 /nfs/dbraw/zinc/14/70/35/924147035.db2.gz JSGPMQXBAZAEQI-ADEWGFFLSA-N 2 1 266.345 -0.231 20 0 CBADMP C[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000337707412 214227637 /nfs/dbraw/zinc/22/76/37/214227637.db2.gz CDSBDBQNADWQGA-CYBMUJFWSA-N 2 1 298.431 -0.541 20 0 CBADMP C[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000337707412 214227640 /nfs/dbraw/zinc/22/76/40/214227640.db2.gz CDSBDBQNADWQGA-CYBMUJFWSA-N 2 1 298.431 -0.541 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000337707412 214227642 /nfs/dbraw/zinc/22/76/42/214227642.db2.gz CDSBDBQNADWQGA-CYBMUJFWSA-N 2 1 298.431 -0.541 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000337707412 214227644 /nfs/dbraw/zinc/22/76/44/214227644.db2.gz CDSBDBQNADWQGA-CYBMUJFWSA-N 2 1 298.431 -0.541 20 0 CBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000337826563 214276611 /nfs/dbraw/zinc/27/66/11/214276611.db2.gz QUBZSDVAPVQMRJ-TZMCWYRMSA-N 2 1 299.415 -0.033 20 0 CBADMP CNC(=O)C1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000338251532 214473108 /nfs/dbraw/zinc/47/31/08/214473108.db2.gz MENNSAGQHULCLZ-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000424181004 282186378 /nfs/dbraw/zinc/18/63/78/282186378.db2.gz QJIVFXSCVFRVQS-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000126467975 187242155 /nfs/dbraw/zinc/24/21/55/187242155.db2.gz YEUSJNZYOABPKX-GVXVVHGQSA-N 2 1 284.404 -0.315 20 0 CBADMP CC(C)C(=O)NCC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000351423302 219097013 /nfs/dbraw/zinc/09/70/13/219097013.db2.gz VFSMTLACOHENSW-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP CC(C)C(=O)NCC[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000351423302 219097015 /nfs/dbraw/zinc/09/70/15/219097015.db2.gz VFSMTLACOHENSW-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000355802060 529809793 /nfs/dbraw/zinc/80/97/93/529809793.db2.gz HKTNHFYWLRGXKS-FZMZJTMJSA-N 2 1 278.356 -0.057 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000355802060 529809794 /nfs/dbraw/zinc/80/97/94/529809794.db2.gz HKTNHFYWLRGXKS-FZMZJTMJSA-N 2 1 278.356 -0.057 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351517517 219111871 /nfs/dbraw/zinc/11/18/71/219111871.db2.gz ANKZBBJJYHTVMN-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000351530228 219115686 /nfs/dbraw/zinc/11/56/86/219115686.db2.gz ADDWCXGSCBHURI-AGIUHOORSA-N 2 1 294.399 -0.402 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351535226 219118268 /nfs/dbraw/zinc/11/82/68/219118268.db2.gz DPBKMQWNIJGLFZ-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000351545322 219119946 /nfs/dbraw/zinc/11/99/46/219119946.db2.gz WSHBHHHGCKVNER-OLZOCXBDSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351541006 219120328 /nfs/dbraw/zinc/12/03/28/219120328.db2.gz PAJYJBXDJROKBG-CHWSQXEVSA-N 2 1 296.415 -0.297 20 0 CBADMP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000351545326 219121357 /nfs/dbraw/zinc/12/13/57/219121357.db2.gz WSHBHHHGCKVNER-STQMWFEESA-N 2 1 294.399 -0.450 20 0 CBADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351541824 219121729 /nfs/dbraw/zinc/12/17/29/219121729.db2.gz QFHAXJCVLXTCLV-NSHDSACASA-N 2 1 268.361 -0.981 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351554677 219124525 /nfs/dbraw/zinc/12/45/25/219124525.db2.gz DHZKPCDLPCJJRO-NSHDSACASA-N 2 1 279.344 -0.824 20 0 CBADMP C[N@@H+](CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000351556124 219125334 /nfs/dbraw/zinc/12/53/34/219125334.db2.gz NLHFCDPTHQZWSQ-LLVKDONJSA-N 2 1 268.361 -0.935 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000573564876 334947706 /nfs/dbraw/zinc/94/77/06/334947706.db2.gz WKGMDWBDMCOVHC-YFKTTZPYSA-N 2 1 255.362 -0.132 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351560320 219126826 /nfs/dbraw/zinc/12/68/26/219126826.db2.gz RKERPFSGBFQHNF-NEPJUHHUSA-N 2 1 282.388 -0.687 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494706144 530067092 /nfs/dbraw/zinc/06/70/92/530067092.db2.gz DETWBLNXTFQOCQ-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[C@@H]1C[NH+](CCOCC[N@H+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000351774906 219202586 /nfs/dbraw/zinc/20/25/86/219202586.db2.gz PHAYFZWVNWIYNU-CRWXNKLISA-N 2 1 272.389 -0.372 20 0 CBADMP C[C@@H]1C[N@@H+](CCOCC[NH+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000351774906 219202588 /nfs/dbraw/zinc/20/25/88/219202588.db2.gz PHAYFZWVNWIYNU-CRWXNKLISA-N 2 1 272.389 -0.372 20 0 CBADMP C[C@@H]1C[N@H+](CCOCC[NH+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000351774906 219202590 /nfs/dbraw/zinc/20/25/90/219202590.db2.gz PHAYFZWVNWIYNU-CRWXNKLISA-N 2 1 272.389 -0.372 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000351863414 219229604 /nfs/dbraw/zinc/22/96/04/219229604.db2.gz TWTCJNDRCDMQLR-SDDRHHMPSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000351863414 219229605 /nfs/dbraw/zinc/22/96/05/219229605.db2.gz TWTCJNDRCDMQLR-SDDRHHMPSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC000351878505 219234826 /nfs/dbraw/zinc/23/48/26/219234826.db2.gz PHSSAYALIUKZTF-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC000351878505 219234828 /nfs/dbraw/zinc/23/48/28/219234828.db2.gz PHSSAYALIUKZTF-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000351878505 219234830 /nfs/dbraw/zinc/23/48/30/219234830.db2.gz PHSSAYALIUKZTF-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000351878505 219234833 /nfs/dbraw/zinc/23/48/33/219234833.db2.gz PHSSAYALIUKZTF-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@H]1C[C@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)CC[N@@H+]1C ZINC000090720892 180031225 /nfs/dbraw/zinc/03/12/25/180031225.db2.gz CMYGRDZUZCWEMF-CMPLNLGQSA-N 2 1 280.372 -0.344 20 0 CBADMP C[C@H]1C[C@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)CC[N@H+]1C ZINC000090720892 180031226 /nfs/dbraw/zinc/03/12/26/180031226.db2.gz CMYGRDZUZCWEMF-CMPLNLGQSA-N 2 1 280.372 -0.344 20 0 CBADMP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000091134360 180102835 /nfs/dbraw/zinc/10/28/35/180102835.db2.gz HVYJWJLWFIBNRQ-LLVKDONJSA-N 2 1 273.402 -0.782 20 0 CBADMP O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000091134359 180103127 /nfs/dbraw/zinc/10/31/27/180103127.db2.gz HVYJWJLWFIBNRQ-NSHDSACASA-N 2 1 273.402 -0.782 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668159 180223899 /nfs/dbraw/zinc/22/38/99/180223899.db2.gz BNXRJKWPXBCNNV-WOPDTQHZSA-N 2 1 255.362 -0.051 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2C)C1 ZINC000352152974 219340677 /nfs/dbraw/zinc/34/06/77/219340677.db2.gz KHJCJAZETPRRFM-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2C)C1 ZINC000352152974 219340678 /nfs/dbraw/zinc/34/06/78/219340678.db2.gz KHJCJAZETPRRFM-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000352152974 219340681 /nfs/dbraw/zinc/34/06/81/219340681.db2.gz KHJCJAZETPRRFM-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000352152974 219340682 /nfs/dbraw/zinc/34/06/82/219340682.db2.gz KHJCJAZETPRRFM-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC000106921849 186151654 /nfs/dbraw/zinc/15/16/54/186151654.db2.gz OJRQXBYDKUMGPX-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCOC1 ZINC000111163380 186363612 /nfs/dbraw/zinc/36/36/12/186363612.db2.gz QEUMZXPVQSQPBN-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC000339777392 215335793 /nfs/dbraw/zinc/33/57/93/215335793.db2.gz NPZSFKHHHDSYRX-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC000339777392 215335797 /nfs/dbraw/zinc/33/57/97/215335797.db2.gz NPZSFKHHHDSYRX-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP C[N@H+](CCCNC(=O)[C@@H]([NH3+])CC(N)=O)Cc1ccccc1 ZINC000037623000 351399788 /nfs/dbraw/zinc/39/97/88/351399788.db2.gz SMJGUEXOBVJMGX-ZDUSSCGKSA-N 2 1 292.383 -0.173 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@@H]([NH3+])CC(N)=O)Cc1ccccc1 ZINC000037623000 351399792 /nfs/dbraw/zinc/39/97/92/351399792.db2.gz SMJGUEXOBVJMGX-ZDUSSCGKSA-N 2 1 292.383 -0.173 20 0 CBADMP CCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000037626862 351401263 /nfs/dbraw/zinc/40/12/63/351401263.db2.gz WQNDSJPBTJQWPC-NSHDSACASA-N 2 1 270.377 -0.430 20 0 CBADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(=O)n(C)c1=O ZINC000044534187 351444932 /nfs/dbraw/zinc/44/49/32/351444932.db2.gz BZWOGDAZKCBWBW-LLVKDONJSA-N 2 1 280.372 -0.485 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000040808755 351419463 /nfs/dbraw/zinc/41/94/63/351419463.db2.gz NOASZYJDEWDFEF-ZDUSSCGKSA-N 2 1 268.405 -0.118 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000055084563 351540916 /nfs/dbraw/zinc/54/09/16/351540916.db2.gz HFZLZGRABJXXPE-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)C[NH+]1CCCC1 ZINC000062076435 351573298 /nfs/dbraw/zinc/57/32/98/351573298.db2.gz BHASCAGKKORPCG-VHSXEESVSA-N 2 1 256.350 -0.963 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062855131 351577012 /nfs/dbraw/zinc/57/70/12/351577012.db2.gz MRRWYWSWTDTXKZ-OAHLLOKOSA-N 2 1 296.415 -0.297 20 0 CBADMP CC(C)CNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179665 351580030 /nfs/dbraw/zinc/58/00/30/351580030.db2.gz UPRDUHZOOYTMTH-LBPRGKRZSA-N 2 1 284.404 -0.455 20 0 CBADMP COC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179994 351580167 /nfs/dbraw/zinc/58/01/67/351580167.db2.gz IUMGGWIAVSEIEC-UWVGGRQHSA-N 2 1 257.334 -0.665 20 0 CBADMP COC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179994 351580170 /nfs/dbraw/zinc/58/01/70/351580170.db2.gz IUMGGWIAVSEIEC-UWVGGRQHSA-N 2 1 257.334 -0.665 20 0 CBADMP CN(C)C(=O)CC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180213 351580433 /nfs/dbraw/zinc/58/04/33/351580433.db2.gz QXBFQPRYGIUJII-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000070074106 351634495 /nfs/dbraw/zinc/63/44/95/351634495.db2.gz OVHUPCBPSRTZPZ-LBPRGKRZSA-N 2 1 255.362 -0.094 20 0 CBADMP Cn1c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc(=O)n(C)c1=O ZINC000070170907 351635599 /nfs/dbraw/zinc/63/55/99/351635599.db2.gz ZYLHBGZWVGGJPJ-NSHDSACASA-N 2 1 280.372 -0.355 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CCN1CCOCC1 ZINC000071150688 351643215 /nfs/dbraw/zinc/64/32/15/351643215.db2.gz UEGBTUIEQSOFSZ-UHFFFAOYSA-N 2 1 256.394 -0.844 20 0 CBADMP CC(C)[NH2+]CCC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000068807361 351622002 /nfs/dbraw/zinc/62/20/02/351622002.db2.gz UCLAXWHBWFZVHS-LBPRGKRZSA-N 2 1 256.394 -0.264 20 0 CBADMP CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000068807730 351622379 /nfs/dbraw/zinc/62/23/79/351622379.db2.gz ZISLPHYSBAHTAN-RYUDHWBXSA-N 2 1 256.394 -0.134 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000068807422 351622467 /nfs/dbraw/zinc/62/24/67/351622467.db2.gz FRAHEVFOKZCCHY-GFCCVEGCSA-N 2 1 254.378 -0.652 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079521721 351693047 /nfs/dbraw/zinc/69/30/47/351693047.db2.gz KFEUDJNPYXFNCO-AAEUAGOBSA-N 2 1 254.378 -0.510 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)C1CC1 ZINC000081338852 351705280 /nfs/dbraw/zinc/70/52/80/351705280.db2.gz WQRRKUDSRQVLHR-ZYHUDNBSSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C1CC1 ZINC000081338852 351705285 /nfs/dbraw/zinc/70/52/85/351705285.db2.gz WQRRKUDSRQVLHR-ZYHUDNBSSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+](C)C1CC1 ZINC000081338852 351705291 /nfs/dbraw/zinc/70/52/91/351705291.db2.gz WQRRKUDSRQVLHR-ZYHUDNBSSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+](C)C1CC1 ZINC000081338852 351705296 /nfs/dbraw/zinc/70/52/96/351705296.db2.gz WQRRKUDSRQVLHR-ZYHUDNBSSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000081354705 351705794 /nfs/dbraw/zinc/70/57/94/351705794.db2.gz LDPBBYCIAFIXGV-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000081354705 351705800 /nfs/dbraw/zinc/70/58/00/351705800.db2.gz LDPBBYCIAFIXGV-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)c(=O)n(C)c2=O)CC[N@@H+]1C ZINC000093644810 351760655 /nfs/dbraw/zinc/76/06/55/351760655.db2.gz DCXWSKYQDXLKFP-WCQYABFASA-N 2 1 294.399 -0.002 20 0 CBADMP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)c(=O)n(C)c2=O)CC[N@H+]1C ZINC000093644810 351760659 /nfs/dbraw/zinc/76/06/59/351760659.db2.gz DCXWSKYQDXLKFP-WCQYABFASA-N 2 1 294.399 -0.002 20 0 CBADMP C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)CC[NH+]1C ZINC000093644810 351760663 /nfs/dbraw/zinc/76/06/63/351760663.db2.gz DCXWSKYQDXLKFP-WCQYABFASA-N 2 1 294.399 -0.002 20 0 CBADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)CC[NH+]1C ZINC000093644810 351760667 /nfs/dbraw/zinc/76/06/67/351760667.db2.gz DCXWSKYQDXLKFP-WCQYABFASA-N 2 1 294.399 -0.002 20 0 CBADMP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)c(=O)n(C)c2=O)CC[N@@H+]1C ZINC000093644809 351761003 /nfs/dbraw/zinc/76/10/03/351761003.db2.gz DCXWSKYQDXLKFP-DGCLKSJQSA-N 2 1 294.399 -0.002 20 0 CBADMP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)c(=O)n(C)c2=O)CC[N@H+]1C ZINC000093644809 351761004 /nfs/dbraw/zinc/76/10/04/351761004.db2.gz DCXWSKYQDXLKFP-DGCLKSJQSA-N 2 1 294.399 -0.002 20 0 CBADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)CC[NH+]1C ZINC000093644809 351761005 /nfs/dbraw/zinc/76/10/05/351761005.db2.gz DCXWSKYQDXLKFP-DGCLKSJQSA-N 2 1 294.399 -0.002 20 0 CBADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)CC[NH+]1C ZINC000093644809 351761009 /nfs/dbraw/zinc/76/10/09/351761009.db2.gz DCXWSKYQDXLKFP-DGCLKSJQSA-N 2 1 294.399 -0.002 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000111617907 351803193 /nfs/dbraw/zinc/80/31/93/351803193.db2.gz BHLVISUETDKZNR-CQSZACIVSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000111617907 351803196 /nfs/dbraw/zinc/80/31/96/351803196.db2.gz BHLVISUETDKZNR-CQSZACIVSA-N 2 1 280.416 -0.166 20 0 CBADMP O=C(COC1CC[NH2+]CC1)NCCC[NH+]1CCOCC1 ZINC000111795267 351805932 /nfs/dbraw/zinc/80/59/32/351805932.db2.gz VOCBMZUUXUFKTJ-UHFFFAOYSA-N 2 1 285.388 -0.407 20 0 CBADMP CC[NH+]1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000111757303 351806331 /nfs/dbraw/zinc/80/63/31/351806331.db2.gz YSHAIXSUIDZBJE-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000126277158 351859395 /nfs/dbraw/zinc/85/93/95/351859395.db2.gz FSZDZYYMQVFBCX-YPMHNXCESA-N 2 1 284.404 -0.456 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000126231615 351859579 /nfs/dbraw/zinc/85/95/79/351859579.db2.gz JGMPQSXFLLZTFA-JSGCOSHPSA-N 2 1 298.431 -0.068 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000120620088 351842096 /nfs/dbraw/zinc/84/20/96/351842096.db2.gz WBNZSXHEPNUPCQ-DGCLKSJQSA-N 2 1 289.445 -0.148 20 0 CBADMP CC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000130454877 351879175 /nfs/dbraw/zinc/87/91/75/351879175.db2.gz IACHLJUKXVNHCI-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000130385315 351879276 /nfs/dbraw/zinc/87/92/76/351879276.db2.gz VEPKKMYMGIBIIV-CYBMUJFWSA-N 2 1 285.388 -0.454 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000129160419 351868989 /nfs/dbraw/zinc/86/89/89/351868989.db2.gz FVIICLXABILVBN-WDEREUQCSA-N 2 1 253.346 -0.282 20 0 CBADMP C[C@H]1C[C@H](N(C)CC(=O)N2CCNC(=O)C2)CC[N@H+]1C ZINC000123837353 187111216 /nfs/dbraw/zinc/11/12/16/187111216.db2.gz XIOAMPSUSGEERT-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CNC(=O)NC(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000136309354 351919513 /nfs/dbraw/zinc/91/95/13/351919513.db2.gz NLHZXEMLHWSIEE-UHFFFAOYSA-N 2 1 267.333 -0.031 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136309354 351919518 /nfs/dbraw/zinc/91/95/18/351919518.db2.gz NLHZXEMLHWSIEE-UHFFFAOYSA-N 2 1 267.333 -0.031 20 0 CBADMP O=C1CNC(=O)N1CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150803381 351931937 /nfs/dbraw/zinc/93/19/37/351931937.db2.gz RORKHLVEIYDJFT-LBPRGKRZSA-N 2 1 280.372 -0.044 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150803381 351931941 /nfs/dbraw/zinc/93/19/41/351931941.db2.gz RORKHLVEIYDJFT-LBPRGKRZSA-N 2 1 280.372 -0.044 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000131762503 351888797 /nfs/dbraw/zinc/88/87/97/351888797.db2.gz PRZOKYDPGAKIFI-ZJUUUORDSA-N 2 1 268.361 -0.014 20 0 CBADMP C[NH+](C)CCNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000133718534 351900781 /nfs/dbraw/zinc/90/07/81/351900781.db2.gz LKFPIBSLRYHTCW-GFCCVEGCSA-N 2 1 299.419 -0.565 20 0 CBADMP CN(CC(=O)N1CCN(CCO)CC1)[C@H]1CCSC1 ZINC000154195529 351946346 /nfs/dbraw/zinc/94/63/46/351946346.db2.gz UPJKLKSJTZBVNS-LBPRGKRZSA-N 2 1 287.429 -0.440 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000166597451 351987645 /nfs/dbraw/zinc/98/76/45/351987645.db2.gz SBLUMHWRFCWLSO-NEPJUHHUSA-N 2 1 257.378 -0.074 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000167264613 351989857 /nfs/dbraw/zinc/98/98/57/351989857.db2.gz YJUMNHLTQHBMIN-RYUDHWBXSA-N 2 1 271.361 -0.798 20 0 CBADMP CSCC[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000167979142 351990650 /nfs/dbraw/zinc/99/06/50/351990650.db2.gz BUORJDQFNZBKMB-UTUOFQBUSA-N 2 1 289.445 -0.020 20 0 CBADMP CSCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000167979142 351990653 /nfs/dbraw/zinc/99/06/53/351990653.db2.gz BUORJDQFNZBKMB-UTUOFQBUSA-N 2 1 289.445 -0.020 20 0 CBADMP COC1(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC[NH2+]CC1 ZINC000167990997 351991660 /nfs/dbraw/zinc/99/16/60/351991660.db2.gz QVCVCKYUMKEMMM-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP COC1(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC[NH2+]CC1 ZINC000167990997 351991665 /nfs/dbraw/zinc/99/16/65/351991665.db2.gz QVCVCKYUMKEMMM-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000174724648 352051445 /nfs/dbraw/zinc/05/14/45/352051445.db2.gz NDHDTRVGIJMRFJ-AAEUAGOBSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000174724648 352051447 /nfs/dbraw/zinc/05/14/47/352051447.db2.gz NDHDTRVGIJMRFJ-AAEUAGOBSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000174724648 352051450 /nfs/dbraw/zinc/05/14/50/352051450.db2.gz NDHDTRVGIJMRFJ-AAEUAGOBSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000174724648 352051452 /nfs/dbraw/zinc/05/14/52/352051452.db2.gz NDHDTRVGIJMRFJ-AAEUAGOBSA-N 2 1 267.373 -0.083 20 0 CBADMP COCC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000172749759 352029550 /nfs/dbraw/zinc/02/95/50/352029550.db2.gz LPRCWLJQMJVQRH-LLVKDONJSA-N 2 1 259.350 -0.989 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000172749759 352029552 /nfs/dbraw/zinc/02/95/52/352029552.db2.gz LPRCWLJQMJVQRH-LLVKDONJSA-N 2 1 259.350 -0.989 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000172749759 352029553 /nfs/dbraw/zinc/02/95/53/352029553.db2.gz LPRCWLJQMJVQRH-LLVKDONJSA-N 2 1 259.350 -0.989 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000172749759 352029555 /nfs/dbraw/zinc/02/95/55/352029555.db2.gz LPRCWLJQMJVQRH-LLVKDONJSA-N 2 1 259.350 -0.989 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000172765705 352031037 /nfs/dbraw/zinc/03/10/37/352031037.db2.gz ADGYRWZMBHJQRH-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000172765705 352031038 /nfs/dbraw/zinc/03/10/38/352031038.db2.gz ADGYRWZMBHJQRH-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000172765705 352031040 /nfs/dbraw/zinc/03/10/40/352031040.db2.gz ADGYRWZMBHJQRH-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000172765705 352031041 /nfs/dbraw/zinc/03/10/41/352031041.db2.gz ADGYRWZMBHJQRH-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+](C)C1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000180431577 352094750 /nfs/dbraw/zinc/09/47/50/352094750.db2.gz BGNNOTOAKUKCBZ-UHFFFAOYSA-N 2 1 268.405 -0.214 20 0 CBADMP C[NH+]1CCN(C(=O)CN2CCC[N@@H+](C3CC3)CC2)CC1 ZINC000180455655 352094824 /nfs/dbraw/zinc/09/48/24/352094824.db2.gz DBSZEHFNKMJSSW-UHFFFAOYSA-N 2 1 280.416 -0.070 20 0 CBADMP C[NH+]1CCN(C(=O)CN2CCC[N@H+](C3CC3)CC2)CC1 ZINC000180455655 352094827 /nfs/dbraw/zinc/09/48/27/352094827.db2.gz DBSZEHFNKMJSSW-UHFFFAOYSA-N 2 1 280.416 -0.070 20 0 CBADMP CC[NH+](CCO)CC1(C[N@H+](CC)CCO)COC1 ZINC000182128072 352103278 /nfs/dbraw/zinc/10/32/78/352103278.db2.gz AQQLGDRMLPCPDJ-UHFFFAOYSA-N 2 1 260.378 -0.369 20 0 CBADMP CC[NH+](CCO)CC1(C[N@@H+](CC)CCO)COC1 ZINC000182128072 352103279 /nfs/dbraw/zinc/10/32/79/352103279.db2.gz AQQLGDRMLPCPDJ-UHFFFAOYSA-N 2 1 260.378 -0.369 20 0 CBADMP CCOC[C@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182968834 352106487 /nfs/dbraw/zinc/10/64/87/352106487.db2.gz DSICHNOZXUOPEZ-CQSZACIVSA-N 2 1 273.421 -0.047 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188754864 352158234 /nfs/dbraw/zinc/15/82/34/352158234.db2.gz HPPXSKQWICTMGB-SDDRHHMPSA-N 2 1 273.352 -0.087 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000187945747 352143827 /nfs/dbraw/zinc/14/38/27/352143827.db2.gz CRPUFNTYYUQARS-ZMLRMANQSA-N 2 1 255.362 -0.038 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000187936371 352144231 /nfs/dbraw/zinc/14/42/31/352144231.db2.gz LHULBKJGRFBXNK-RWMBFGLXSA-N 2 1 285.388 -0.552 20 0 CBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000188049661 352146368 /nfs/dbraw/zinc/14/63/68/352146368.db2.gz CBGTZIZJTKYZAC-FRRDWIJNSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000188049661 352146370 /nfs/dbraw/zinc/14/63/70/352146370.db2.gz CBGTZIZJTKYZAC-FRRDWIJNSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188074479 352147345 /nfs/dbraw/zinc/14/73/45/352147345.db2.gz WGMVCOMLDUOPCI-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000188123007 352147902 /nfs/dbraw/zinc/14/79/02/352147902.db2.gz GAVLDRLYGRTZGA-CQSZACIVSA-N 2 1 298.431 -0.635 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221174317 352239811 /nfs/dbraw/zinc/23/98/11/352239811.db2.gz FFUNUVBLCCJMAZ-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221173822 352239823 /nfs/dbraw/zinc/23/98/23/352239823.db2.gz WSLJATVSUUFUII-ZJUUUORDSA-N 2 1 256.350 -0.963 20 0 CBADMP Cn1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000211828312 352229545 /nfs/dbraw/zinc/22/95/45/352229545.db2.gz HDQZRDPGYDUNQB-NSHDSACASA-N 2 1 265.361 -0.293 20 0 CBADMP Cn1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000211828312 352229547 /nfs/dbraw/zinc/22/95/47/352229547.db2.gz HDQZRDPGYDUNQB-NSHDSACASA-N 2 1 265.361 -0.293 20 0 CBADMP COCC[NH2+]CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227456605 352258076 /nfs/dbraw/zinc/25/80/76/352258076.db2.gz DLAXGOVMSLLVSR-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000226402655 352252111 /nfs/dbraw/zinc/25/21/11/352252111.db2.gz PMFLIBQZTJKODS-GFCCVEGCSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000226402655 352252112 /nfs/dbraw/zinc/25/21/12/352252112.db2.gz PMFLIBQZTJKODS-GFCCVEGCSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC000245412499 352318899 /nfs/dbraw/zinc/31/88/99/352318899.db2.gz ARXRWVYODPCKKG-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NCCC[NH+]1CCOCC1 ZINC000232111886 352279051 /nfs/dbraw/zinc/27/90/51/352279051.db2.gz SAVYOHKQIIWXPR-NSHDSACASA-N 2 1 259.350 -0.811 20 0 CBADMP COCC1(C(=O)NCCC[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000234654488 352283643 /nfs/dbraw/zinc/28/36/43/352283643.db2.gz XVMMMIUOVGSSGN-UHFFFAOYSA-N 2 1 299.415 -0.159 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCC[NH3+])CC1=O ZINC000236838257 352294892 /nfs/dbraw/zinc/29/48/92/352294892.db2.gz ZXHMQOBIGCVZNP-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH3+])CC1=O ZINC000236838282 352295045 /nfs/dbraw/zinc/29/50/45/352295045.db2.gz PYUHRPCJSCFOCJ-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000236898426 352296305 /nfs/dbraw/zinc/29/63/05/352296305.db2.gz KESRNUVCFPMXJD-CYBMUJFWSA-N 2 1 284.404 -0.881 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000236898426 352296309 /nfs/dbraw/zinc/29/63/09/352296309.db2.gz KESRNUVCFPMXJD-CYBMUJFWSA-N 2 1 284.404 -0.881 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000237112876 352299838 /nfs/dbraw/zinc/29/98/38/352299838.db2.gz JSEWQYHLGYDTQZ-LBPRGKRZSA-N 2 1 287.429 -0.128 20 0 CBADMP COCC[NH2+]CC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000237156544 352300224 /nfs/dbraw/zinc/30/02/24/352300224.db2.gz XCODTHXXTKFKOZ-ZDUSSCGKSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH2+]CC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000237193665 352301853 /nfs/dbraw/zinc/30/18/53/352301853.db2.gz AILAABFNNGEOSP-LBPRGKRZSA-N 2 1 273.377 -0.693 20 0 CBADMP OC(CN1CCC[C@@H](O)C1)C[N@H+]1CCC[C@@H](O)C1 ZINC000245888611 352326670 /nfs/dbraw/zinc/32/66/70/352326670.db2.gz BYBYNOZGNMRJCA-VXGBXAGGSA-N 2 1 258.362 -0.739 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000246298935 352331069 /nfs/dbraw/zinc/33/10/69/352331069.db2.gz NVMDNHGASOHATL-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000246298935 352331071 /nfs/dbraw/zinc/33/10/71/352331071.db2.gz NVMDNHGASOHATL-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000246302266 352331601 /nfs/dbraw/zinc/33/16/01/352331601.db2.gz OAMZYISDLZVZPQ-WOPDTQHZSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000246302266 352331605 /nfs/dbraw/zinc/33/16/05/352331605.db2.gz OAMZYISDLZVZPQ-WOPDTQHZSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000246504793 352333706 /nfs/dbraw/zinc/33/37/06/352333706.db2.gz QCYDKTCLEVUWCW-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000246504793 352333709 /nfs/dbraw/zinc/33/37/09/352333709.db2.gz QCYDKTCLEVUWCW-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2COCCN2)CC[N@H+]1C[C@H](C)O ZINC000246483548 352334222 /nfs/dbraw/zinc/33/42/22/352334222.db2.gz OUFVFNCKQUODFS-XQQFMLRXSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[NH+]1CCOCC1 ZINC000261901886 352400131 /nfs/dbraw/zinc/40/01/31/352400131.db2.gz WQYMWEJQKJAGTP-RDBSUJKOSA-N 2 1 299.415 -0.034 20 0 CBADMP CC[C@H]1C[N@@H+](CCC(=O)NC(=O)NC)CC[C@H]1[NH3+] ZINC000251881986 352376201 /nfs/dbraw/zinc/37/62/01/352376201.db2.gz VGMDWMVLHGDFNZ-VHSXEESVSA-N 2 1 256.350 -0.109 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CSCN1 ZINC000252548619 352378780 /nfs/dbraw/zinc/37/87/80/352378780.db2.gz MSORSRHWEHLVFB-HBNTYKKESA-N 2 1 271.386 -0.372 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CSC[NH2+]1 ZINC000252548619 352378790 /nfs/dbraw/zinc/37/87/90/352378790.db2.gz MSORSRHWEHLVFB-HBNTYKKESA-N 2 1 271.386 -0.372 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252696486 352379843 /nfs/dbraw/zinc/37/98/43/352379843.db2.gz APPVBTIZIOCFRW-UTLUCORTSA-N 2 1 256.350 -0.110 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252696486 352379845 /nfs/dbraw/zinc/37/98/45/352379845.db2.gz APPVBTIZIOCFRW-UTLUCORTSA-N 2 1 256.350 -0.110 20 0 CBADMP COC(=O)C(C)(C)CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261920622 352400583 /nfs/dbraw/zinc/40/05/83/352400583.db2.gz KMLJWGASNJRPQW-UHFFFAOYSA-N 2 1 285.388 -0.061 20 0 CBADMP COC[C@@]1(C(=O)NCC[NH+]2CCSCC2)CC[NH2+]C1 ZINC000261589761 352389863 /nfs/dbraw/zinc/38/98/63/352389863.db2.gz KXJMHYAWPNSMQZ-CYBMUJFWSA-N 2 1 287.429 -0.223 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000261603274 352390799 /nfs/dbraw/zinc/39/07/99/352390799.db2.gz AQKYGFUBCQOFLX-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261627155 352391886 /nfs/dbraw/zinc/39/18/86/352391886.db2.gz AUHPLZZUWPFKJB-CQSZACIVSA-N 2 1 282.388 -0.652 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261627155 352391891 /nfs/dbraw/zinc/39/18/91/352391891.db2.gz AUHPLZZUWPFKJB-CQSZACIVSA-N 2 1 282.388 -0.652 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000261700264 352393516 /nfs/dbraw/zinc/39/35/16/352393516.db2.gz JFMQINYTTBZEKZ-AWEZNQCLSA-N 2 1 298.431 -0.635 20 0 CBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262257558 352412154 /nfs/dbraw/zinc/41/21/54/352412154.db2.gz QLAGBXYFEUGQPR-AWEZNQCLSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH2+]CCC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000262415195 352421076 /nfs/dbraw/zinc/42/10/76/352421076.db2.gz QYSGVYAFTHVGOI-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH2+]CCC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000262415206 352421721 /nfs/dbraw/zinc/42/17/21/352421721.db2.gz QYSGVYAFTHVGOI-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000262666646 352430381 /nfs/dbraw/zinc/43/03/81/352430381.db2.gz KFOKUUVXBBCRJN-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000262745200 352432323 /nfs/dbraw/zinc/43/23/23/352432323.db2.gz ABJQMJYNUHVRND-ZDUSSCGKSA-N 2 1 287.404 -0.081 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000262765215 352433330 /nfs/dbraw/zinc/43/33/30/352433330.db2.gz KXVDVPWRMYFBNF-UTUOFQBUSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000262765215 352433331 /nfs/dbraw/zinc/43/33/31/352433331.db2.gz KXVDVPWRMYFBNF-UTUOFQBUSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262949913 352436677 /nfs/dbraw/zinc/43/66/77/352436677.db2.gz VIWHBDVWUAYHNR-SRVKXCTJSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262949913 352436679 /nfs/dbraw/zinc/43/66/79/352436679.db2.gz VIWHBDVWUAYHNR-SRVKXCTJSA-N 2 1 255.362 -0.036 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000263110083 352437558 /nfs/dbraw/zinc/43/75/58/352437558.db2.gz DRNHPNCNVPONGX-OCCSQVGLSA-N 2 1 296.415 -0.219 20 0 CBADMP C[N@@H+](CC[C@H]1CCOC1)CC(=O)N1CC[NH2+]CC1 ZINC000262040401 352404182 /nfs/dbraw/zinc/40/41/82/352404182.db2.gz YFXJOCFGRQYLOR-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP CN(C)c1cc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc[nH+]1 ZINC000269269845 352464813 /nfs/dbraw/zinc/46/48/13/352464813.db2.gz RRINGFWVZOZUJV-NXEZZACHSA-N 2 1 250.302 -0.191 20 0 CBADMP CN(C)c1cc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc[nH+]1 ZINC000269269846 352464900 /nfs/dbraw/zinc/46/49/00/352464900.db2.gz RRINGFWVZOZUJV-UWVGGRQHSA-N 2 1 250.302 -0.191 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]([NH3+])CC(N)=O)Cc1ccc(F)cc1 ZINC000269696102 352479706 /nfs/dbraw/zinc/47/97/06/352479706.db2.gz LECORTSWUAWYKR-GFCCVEGCSA-N 2 1 296.346 -0.424 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]([NH3+])CC(N)=O)Cc1ccc(F)cc1 ZINC000269696102 352479709 /nfs/dbraw/zinc/47/97/09/352479709.db2.gz LECORTSWUAWYKR-GFCCVEGCSA-N 2 1 296.346 -0.424 20 0 CBADMP Cn1ccnc1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000286912473 352650599 /nfs/dbraw/zinc/65/05/99/352650599.db2.gz PPHTXLSMCVECKN-LLVKDONJSA-N 2 1 291.355 -0.657 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000310135256 352757912 /nfs/dbraw/zinc/75/79/12/352757912.db2.gz ITVCODWUYPNHHW-GHMZBOCLSA-N 2 1 263.407 -0.063 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000310135256 352757913 /nfs/dbraw/zinc/75/79/13/352757913.db2.gz ITVCODWUYPNHHW-GHMZBOCLSA-N 2 1 263.407 -0.063 20 0 CBADMP CCOC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000311182461 352767432 /nfs/dbraw/zinc/76/74/32/352767432.db2.gz ZGJSIQJQRPYZLT-QWHCGFSZSA-N 2 1 260.378 -0.180 20 0 CBADMP CCOC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000311182462 352767539 /nfs/dbraw/zinc/76/75/39/352767539.db2.gz ZGJSIQJQRPYZLT-STQMWFEESA-N 2 1 260.378 -0.180 20 0 CBADMP COC[C@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[NH2+]C1 ZINC000311767612 352770107 /nfs/dbraw/zinc/77/01/07/352770107.db2.gz VQPLVQPZDAGIBF-FZMZJTMJSA-N 2 1 267.373 -0.035 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311769977 352770366 /nfs/dbraw/zinc/77/03/66/352770366.db2.gz XAPVTSTVHSXFGF-MXWKQRLJSA-N 2 1 268.361 -0.238 20 0 CBADMP CC(C)[C@@H]([NH3+])c1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000312162555 352773639 /nfs/dbraw/zinc/77/36/39/352773639.db2.gz SCHZSWALJQBBFU-CYBMUJFWSA-N 2 1 280.376 -0.292 20 0 CBADMP CNC(=O)[C@@H](C)C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000330449105 352826459 /nfs/dbraw/zinc/82/64/59/352826459.db2.gz XARCXEDGCVPNJN-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP CNC(=O)[C@@H](C)C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000330449105 352826463 /nfs/dbraw/zinc/82/64/63/352826463.db2.gz XARCXEDGCVPNJN-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)CC1 ZINC000330522121 352838660 /nfs/dbraw/zinc/83/86/60/352838660.db2.gz JPPYUJUGHONYPC-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000330522121 352838661 /nfs/dbraw/zinc/83/86/61/352838661.db2.gz JPPYUJUGHONYPC-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[N@H+]1C1CC1 ZINC000331388201 352910872 /nfs/dbraw/zinc/91/08/72/352910872.db2.gz LOWDFFROQGDGNG-GRYCIOLGSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH2+]1 ZINC000331452770 352915674 /nfs/dbraw/zinc/91/56/74/352915674.db2.gz ZKABQYJMYUFLFC-GHMZBOCLSA-N 2 1 280.372 -0.840 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)[C@@H]2C1 ZINC000331515036 352920604 /nfs/dbraw/zinc/92/06/04/352920604.db2.gz MBOLVYSJCGFOCI-JHJVBQTASA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C[C@H]1[NH3+] ZINC000332104940 352935662 /nfs/dbraw/zinc/93/56/62/352935662.db2.gz AKPJOCIHYDKQOF-FRRDWIJNSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C[C@H]1[NH3+] ZINC000332104940 352935664 /nfs/dbraw/zinc/93/56/64/352935664.db2.gz AKPJOCIHYDKQOF-FRRDWIJNSA-N 2 1 294.399 -0.511 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000331589505 352926189 /nfs/dbraw/zinc/92/61/89/352926189.db2.gz GMPYTXSWRJYKFJ-VXGBXAGGSA-N 2 1 280.372 -0.839 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1[NH3+] ZINC000331681929 352926630 /nfs/dbraw/zinc/92/66/30/352926630.db2.gz UBJKOEFZJPXYJL-LPWJVIDDSA-N 2 1 294.399 -0.465 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC2([NH3+])CCC2)C[C@H]1C ZINC000331948651 352928793 /nfs/dbraw/zinc/92/87/93/352928793.db2.gz ZCHPQACGGGMJSP-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC2([NH3+])CCC2)C[C@H]1C ZINC000331948651 352928797 /nfs/dbraw/zinc/92/87/97/352928797.db2.gz ZCHPQACGGGMJSP-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP [NH3+]CCCNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332689309 352976967 /nfs/dbraw/zinc/97/69/67/352976967.db2.gz PUPRXLNTGHFWBS-LLVKDONJSA-N 2 1 268.361 -0.852 20 0 CBADMP [NH3+]CCCNC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332689309 352976970 /nfs/dbraw/zinc/97/69/70/352976970.db2.gz PUPRXLNTGHFWBS-LLVKDONJSA-N 2 1 268.361 -0.852 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C[C@H]1[NH3+] ZINC000332218783 352940462 /nfs/dbraw/zinc/94/04/62/352940462.db2.gz IOHPBSNGTREBFQ-GRYCIOLGSA-N 2 1 280.372 -0.901 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000332326110 352944749 /nfs/dbraw/zinc/94/47/49/352944749.db2.gz LICNJGASIZREKO-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC[NH2+]1 ZINC000332592169 352967883 /nfs/dbraw/zinc/96/78/83/352967883.db2.gz AUACFHPYRCNYME-NWDGAFQWSA-N 2 1 280.372 -0.887 20 0 CBADMP C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000332578336 352968406 /nfs/dbraw/zinc/96/84/06/352968406.db2.gz DOTHSFYGKVYILN-ZDUSSCGKSA-N 2 1 294.399 -0.497 20 0 CBADMP C[C@@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C[NH+]1CCOCC1 ZINC000333589960 353004344 /nfs/dbraw/zinc/00/43/44/353004344.db2.gz OKSKRLUCSASJDX-WUHRBBMRSA-N 2 1 282.388 -0.528 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1CCC[NH+]1C ZINC000333706571 353007978 /nfs/dbraw/zinc/00/79/78/353007978.db2.gz FTMJFRKFZVLINW-QWHCGFSZSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1CCC[NH+]1C ZINC000333706571 353007982 /nfs/dbraw/zinc/00/79/82/353007982.db2.gz FTMJFRKFZVLINW-QWHCGFSZSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000333706571 353007985 /nfs/dbraw/zinc/00/79/85/353007985.db2.gz FTMJFRKFZVLINW-QWHCGFSZSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000333706571 353007989 /nfs/dbraw/zinc/00/79/89/353007989.db2.gz FTMJFRKFZVLINW-QWHCGFSZSA-N 2 1 284.404 -0.211 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333872801 353012873 /nfs/dbraw/zinc/01/28/73/353012873.db2.gz UVXFMOCYLFCMJK-OLZOCXBDSA-N 2 1 284.404 -0.042 20 0 CBADMP C[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000333907696 353013689 /nfs/dbraw/zinc/01/36/89/353013689.db2.gz DCCPAGONMJBDKW-GFCCVEGCSA-N 2 1 297.403 -0.846 20 0 CBADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCCN3C(=O)CNC3=O)C2)C1 ZINC000336833576 353062119 /nfs/dbraw/zinc/06/21/19/353062119.db2.gz OQQRXYQRJMHMSC-CQSZACIVSA-N 2 1 280.372 -0.044 20 0 CBADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCN3C(=O)CNC3=O)C2)C1 ZINC000336833576 353062120 /nfs/dbraw/zinc/06/21/20/353062120.db2.gz OQQRXYQRJMHMSC-CQSZACIVSA-N 2 1 280.372 -0.044 20 0 CBADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCN3C(=O)CNC3=O)C2)C1 ZINC000336833576 353062123 /nfs/dbraw/zinc/06/21/23/353062123.db2.gz OQQRXYQRJMHMSC-CQSZACIVSA-N 2 1 280.372 -0.044 20 0 CBADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCN3C(=O)CNC3=O)C2)C1 ZINC000336833576 353062126 /nfs/dbraw/zinc/06/21/26/353062126.db2.gz OQQRXYQRJMHMSC-CQSZACIVSA-N 2 1 280.372 -0.044 20 0 CBADMP C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@@H](O)C[NH3+] ZINC000336848849 353064107 /nfs/dbraw/zinc/06/41/07/353064107.db2.gz NLZSUUPIWZYIOJ-NSHDSACASA-N 2 1 291.351 -0.076 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCCNC1=O ZINC000336799444 353055116 /nfs/dbraw/zinc/05/51/16/353055116.db2.gz IOMZGVQXOWWHMO-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000338287795 353093121 /nfs/dbraw/zinc/09/31/21/353093121.db2.gz WALIVBMZPXFKLR-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000338287795 353093124 /nfs/dbraw/zinc/09/31/24/353093124.db2.gz WALIVBMZPXFKLR-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCSC[C@@H]2CO)CC1 ZINC000338287777 353093198 /nfs/dbraw/zinc/09/31/98/353093198.db2.gz NROUPBVHSHOVLQ-LBPRGKRZSA-N 2 1 287.429 -0.440 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCSC[C@@H]2CO)CC1 ZINC000338287777 353093200 /nfs/dbraw/zinc/09/32/00/353093200.db2.gz NROUPBVHSHOVLQ-LBPRGKRZSA-N 2 1 287.429 -0.440 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000338306868 353094306 /nfs/dbraw/zinc/09/43/06/353094306.db2.gz OIUUSBLQWWFEFU-GFCCVEGCSA-N 2 1 255.362 -0.129 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000338306868 353094308 /nfs/dbraw/zinc/09/43/08/353094308.db2.gz OIUUSBLQWWFEFU-GFCCVEGCSA-N 2 1 255.362 -0.129 20 0 CBADMP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC[C@H]1O ZINC000338312203 353095081 /nfs/dbraw/zinc/09/50/81/353095081.db2.gz BQONKTBLVZCDTR-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC[C@H]1O ZINC000338312203 353095083 /nfs/dbraw/zinc/09/50/83/353095083.db2.gz BQONKTBLVZCDTR-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000338322472 353095365 /nfs/dbraw/zinc/09/53/65/353095365.db2.gz WNABKYJRJMNZQP-ZDUSSCGKSA-N 2 1 296.415 -0.262 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000338322472 353095368 /nfs/dbraw/zinc/09/53/68/353095368.db2.gz WNABKYJRJMNZQP-ZDUSSCGKSA-N 2 1 296.415 -0.262 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](CO)[C@@H]2CCCO2)CC1 ZINC000338341996 353096870 /nfs/dbraw/zinc/09/68/70/353096870.db2.gz DXQGQXIQEDVCHO-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000338344175 353097040 /nfs/dbraw/zinc/09/70/40/353097040.db2.gz GJSPMMOOLQDRSQ-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000338344175 353097042 /nfs/dbraw/zinc/09/70/42/353097042.db2.gz GJSPMMOOLQDRSQ-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](O)C(C)(C)C2)CC1 ZINC000338344176 353097203 /nfs/dbraw/zinc/09/72/03/353097203.db2.gz GJSPMMOOLQDRSQ-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](O)C(C)(C)C2)CC1 ZINC000338344176 353097204 /nfs/dbraw/zinc/09/72/04/353097204.db2.gz GJSPMMOOLQDRSQ-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1CO ZINC000338362562 353098544 /nfs/dbraw/zinc/09/85/44/353098544.db2.gz PZLXTDAVHKFHEY-QWHCGFSZSA-N 2 1 269.389 -0.289 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1CO ZINC000338362562 353098545 /nfs/dbraw/zinc/09/85/45/353098545.db2.gz PZLXTDAVHKFHEY-QWHCGFSZSA-N 2 1 269.389 -0.289 20 0 CBADMP C[C@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338361357 353098591 /nfs/dbraw/zinc/09/85/91/353098591.db2.gz RROGNWOKNDIDNF-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1[C@@H](CO)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338361357 353098594 /nfs/dbraw/zinc/09/85/94/353098594.db2.gz RROGNWOKNDIDNF-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP COC(=O)CNC(=O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152336847 188010671 /nfs/dbraw/zinc/01/06/71/188010671.db2.gz DYQGINHXUUBDBP-LBPRGKRZSA-N 2 1 285.388 -0.061 20 0 CBADMP COC(=O)CNC(=O)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152336847 188010672 /nfs/dbraw/zinc/01/06/72/188010672.db2.gz DYQGINHXUUBDBP-LBPRGKRZSA-N 2 1 285.388 -0.061 20 0 CBADMP COC(=O)CNC(=O)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152336847 188010673 /nfs/dbraw/zinc/01/06/73/188010673.db2.gz DYQGINHXUUBDBP-LBPRGKRZSA-N 2 1 285.388 -0.061 20 0 CBADMP C[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000340184891 353154808 /nfs/dbraw/zinc/15/48/08/353154808.db2.gz KNASLZRKJKEMSK-ZJUUUORDSA-N 2 1 256.350 -0.963 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)C[C@H](C)[NH3+])CC1 ZINC000340182951 353155021 /nfs/dbraw/zinc/15/50/21/353155021.db2.gz GSCWUSRGKOXRFZ-LBPRGKRZSA-N 2 1 256.394 -0.133 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H](C)[NH3+])CC1 ZINC000340184145 353155129 /nfs/dbraw/zinc/15/51/29/353155129.db2.gz PYUZXEACNXOTIP-VXGBXAGGSA-N 2 1 256.394 -0.277 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH+](C)CCO)CC2)C1 ZINC000340597211 353178623 /nfs/dbraw/zinc/17/86/23/353178623.db2.gz YSWQXQOSNVYPMB-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH+](C)CCO)CC2)C1 ZINC000340597211 353178625 /nfs/dbraw/zinc/17/86/25/353178625.db2.gz YSWQXQOSNVYPMB-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC([N@H+](C)CCO)CC2)C1 ZINC000340597211 353178628 /nfs/dbraw/zinc/17/86/28/353178628.db2.gz YSWQXQOSNVYPMB-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC([N@@H+](C)CCO)CC2)C1 ZINC000340597211 353178629 /nfs/dbraw/zinc/17/86/29/353178629.db2.gz YSWQXQOSNVYPMB-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH+](C)CCO)CC2)C1 ZINC000340597209 353178783 /nfs/dbraw/zinc/17/87/83/353178783.db2.gz YSWQXQOSNVYPMB-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH+](C)CCO)CC2)C1 ZINC000340597209 353178784 /nfs/dbraw/zinc/17/87/84/353178784.db2.gz YSWQXQOSNVYPMB-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC([N@H+](C)CCO)CC2)C1 ZINC000340597209 353178785 /nfs/dbraw/zinc/17/87/85/353178785.db2.gz YSWQXQOSNVYPMB-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC([N@@H+](C)CCO)CC2)C1 ZINC000340597209 353178786 /nfs/dbraw/zinc/17/87/86/353178786.db2.gz YSWQXQOSNVYPMB-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000340700265 353182661 /nfs/dbraw/zinc/18/26/61/353182661.db2.gz LJBBZETYGGJNFC-ZIAGYGMSSA-N 2 1 271.405 -0.389 20 0 CBADMP CNC(=O)CC[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000340687061 353182672 /nfs/dbraw/zinc/18/26/72/353182672.db2.gz PNRIWYXGIFLYQZ-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000341310674 353209213 /nfs/dbraw/zinc/20/92/13/353209213.db2.gz ZZXFREMTJYBPKX-UONOGXRCSA-N 2 1 298.431 -0.541 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000341310674 353209216 /nfs/dbraw/zinc/20/92/16/353209216.db2.gz ZZXFREMTJYBPKX-UONOGXRCSA-N 2 1 298.431 -0.541 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000342765149 353231830 /nfs/dbraw/zinc/23/18/30/353231830.db2.gz MENYGKBQLAIGBI-NSHDSACASA-N 2 1 269.345 -0.427 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000342766320 353231879 /nfs/dbraw/zinc/23/18/79/353231879.db2.gz UKUMGJHJLFGOJI-SNVBAGLBSA-N 2 1 259.350 -0.277 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000342765438 353232164 /nfs/dbraw/zinc/23/21/64/353232164.db2.gz OGXDVHSWUQPADP-SNVBAGLBSA-N 2 1 289.401 -0.568 20 0 CBADMP COC(=O)c1cn(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)nn1 ZINC000342807025 353233590 /nfs/dbraw/zinc/23/35/90/353233590.db2.gz VKQYIJAKCBMZLU-QWRGUYRKSA-N 2 1 281.360 -0.006 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000342715186 353228975 /nfs/dbraw/zinc/22/89/75/353228975.db2.gz CJFSNDAOLVQADP-QWRGUYRKSA-N 2 1 269.345 -0.427 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000342715187 353229077 /nfs/dbraw/zinc/22/90/77/353229077.db2.gz CJFSNDAOLVQADP-WDEREUQCSA-N 2 1 269.345 -0.427 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000342715185 353229193 /nfs/dbraw/zinc/22/91/93/353229193.db2.gz CJFSNDAOLVQADP-MNOVXSKESA-N 2 1 269.345 -0.427 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000342723816 353229520 /nfs/dbraw/zinc/22/95/20/353229520.db2.gz BESOHCPVSGJVEY-CHWSQXEVSA-N 2 1 296.415 -0.310 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000343453240 353273373 /nfs/dbraw/zinc/27/33/73/353273373.db2.gz HKAQARKALOECPB-ZMLRMANQSA-N 2 1 283.372 -0.134 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343485576 353274652 /nfs/dbraw/zinc/27/46/52/353274652.db2.gz RXSLIGMSBSCBTC-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCC2=CC[N@H+](C)CC2)C1 ZINC000343246342 353261573 /nfs/dbraw/zinc/26/15/73/353261573.db2.gz DZXVMMMKIRYRQH-LBPRGKRZSA-N 2 1 253.346 -0.305 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCC2=CC[N@@H+](C)CC2)C1 ZINC000343246342 353261576 /nfs/dbraw/zinc/26/15/76/353261576.db2.gz DZXVMMMKIRYRQH-LBPRGKRZSA-N 2 1 253.346 -0.305 20 0 CBADMP C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000343246342 353261579 /nfs/dbraw/zinc/26/15/79/353261579.db2.gz DZXVMMMKIRYRQH-LBPRGKRZSA-N 2 1 253.346 -0.305 20 0 CBADMP C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000343246342 353261581 /nfs/dbraw/zinc/26/15/81/353261581.db2.gz DZXVMMMKIRYRQH-LBPRGKRZSA-N 2 1 253.346 -0.305 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343309119 353266641 /nfs/dbraw/zinc/26/66/41/353266641.db2.gz VYXUCHPKDSZRLK-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343309117 353266964 /nfs/dbraw/zinc/26/69/64/353266964.db2.gz VYXUCHPKDSZRLK-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343588987 353280465 /nfs/dbraw/zinc/28/04/65/353280465.db2.gz SGFZSNABGRVCQP-UONOGXRCSA-N 2 1 296.415 -0.787 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343588987 353280466 /nfs/dbraw/zinc/28/04/66/353280466.db2.gz SGFZSNABGRVCQP-UONOGXRCSA-N 2 1 296.415 -0.787 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343588987 353280467 /nfs/dbraw/zinc/28/04/67/353280467.db2.gz SGFZSNABGRVCQP-UONOGXRCSA-N 2 1 296.415 -0.787 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1=CC[NH+](C)CC1 ZINC000343694443 353285389 /nfs/dbraw/zinc/28/53/89/353285389.db2.gz NZDUGTQWFOLESF-AWEZNQCLSA-N 2 1 295.431 -0.207 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000343694443 353285391 /nfs/dbraw/zinc/28/53/91/353285391.db2.gz NZDUGTQWFOLESF-AWEZNQCLSA-N 2 1 295.431 -0.207 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000343694443 353285392 /nfs/dbraw/zinc/28/53/92/353285392.db2.gz NZDUGTQWFOLESF-AWEZNQCLSA-N 2 1 295.431 -0.207 20 0 CBADMP C[C@@H](C(=O)N1CC([NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000345291657 353321176 /nfs/dbraw/zinc/32/11/76/353321176.db2.gz BWUPAWDGHXQSSE-NSHDSACASA-N 2 1 254.378 -0.605 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC[C@H]([NH3+])C2)CC1 ZINC000346109948 353361928 /nfs/dbraw/zinc/36/19/28/353361928.db2.gz VCUIZARSEMGWJT-OLZOCXBDSA-N 2 1 268.405 -0.038 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CC(F)F)C[C@H]1C ZINC000345708649 353344625 /nfs/dbraw/zinc/34/46/25/353344625.db2.gz JNWHULMVYWAEHA-UTLUCORTSA-N 2 1 279.331 -0.118 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CC(F)F)C[C@H]1C ZINC000345708649 353344626 /nfs/dbraw/zinc/34/46/26/353344626.db2.gz JNWHULMVYWAEHA-UTLUCORTSA-N 2 1 279.331 -0.118 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000346649004 353388042 /nfs/dbraw/zinc/38/80/42/353388042.db2.gz GIBSPJTZIBINHW-ZJUUUORDSA-N 2 1 266.345 -0.747 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000348989523 353443342 /nfs/dbraw/zinc/44/33/42/353443342.db2.gz JNEIKZARZJBXMB-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H](CNC(=O)CCOC1C[NH2+]C1)[N@@H+](C)C1CC1 ZINC000349030830 353445791 /nfs/dbraw/zinc/44/57/91/353445791.db2.gz SZKZATMUJJOARM-JTQLQIEISA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000349639113 353458035 /nfs/dbraw/zinc/45/80/35/353458035.db2.gz RCULNOIPPWFGIN-QWHCGFSZSA-N 2 1 285.436 -0.128 20 0 CBADMP CC[NH+](CC)CCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000349780622 353462981 /nfs/dbraw/zinc/46/29/81/353462981.db2.gz WQKAEMDAHCBINU-CYBMUJFWSA-N 2 1 285.436 -0.127 20 0 CBADMP CC[NH+](CC)CCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000349780623 353463223 /nfs/dbraw/zinc/46/32/23/353463223.db2.gz WQKAEMDAHCBINU-ZDUSSCGKSA-N 2 1 285.436 -0.127 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000350046371 353471230 /nfs/dbraw/zinc/47/12/30/353471230.db2.gz CGHSQMCOHXSZBW-KBPBESRZSA-N 2 1 297.447 -0.032 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](CC(N)=O)C1CCOCC1)C1CC1 ZINC000351582825 353476027 /nfs/dbraw/zinc/47/60/27/353476027.db2.gz RPRICVCUVCFWQI-KGLIPLIRSA-N 2 1 299.415 -0.298 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CC(N)=O)C1CCOCC1)C1CC1 ZINC000351582825 353476030 /nfs/dbraw/zinc/47/60/30/353476030.db2.gz RPRICVCUVCFWQI-KGLIPLIRSA-N 2 1 299.415 -0.298 20 0 CBADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000351653447 353476571 /nfs/dbraw/zinc/47/65/71/353476571.db2.gz VRQHNKKYLXQYPB-XQQFMLRXSA-N 2 1 269.389 -0.054 20 0 CBADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351653447 353476573 /nfs/dbraw/zinc/47/65/73/353476573.db2.gz VRQHNKKYLXQYPB-XQQFMLRXSA-N 2 1 269.389 -0.054 20 0 CBADMP CC(C)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353203320 353527648 /nfs/dbraw/zinc/52/76/48/353527648.db2.gz BJMYDYWQFQFLPE-CYBMUJFWSA-N 2 1 298.431 -0.018 20 0 CBADMP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353212250 353528557 /nfs/dbraw/zinc/52/85/57/353528557.db2.gz KSTQDZFGSVTRGJ-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354669548 353576958 /nfs/dbraw/zinc/57/69/58/353576958.db2.gz IIAMQWRLEQJDOK-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354714737 353580482 /nfs/dbraw/zinc/58/04/82/353580482.db2.gz OWOPSNVBKLXZCX-LBPRGKRZSA-N 2 1 284.404 -0.299 20 0 CBADMP CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000357066141 353600852 /nfs/dbraw/zinc/60/08/52/353600852.db2.gz BQIZDHBRJIUJFW-NSHDSACASA-N 2 1 279.406 -0.635 20 0 CBADMP CN(C)c1nccc(N2CC[NH+](CCOCC[NH3+])CC2)n1 ZINC000357079554 353601950 /nfs/dbraw/zinc/60/19/50/353601950.db2.gz MHXPMSMQWBWBKO-UHFFFAOYSA-N 2 1 294.403 -0.360 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+](C)C ZINC000358063698 353623026 /nfs/dbraw/zinc/62/30/26/353623026.db2.gz ZMBUYSDCAWUQTL-YPMHNXCESA-N 2 1 257.378 -0.245 20 0 CBADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000358166800 353631163 /nfs/dbraw/zinc/63/11/63/353631163.db2.gz PJPVQTWCESNSDI-AWEZNQCLSA-N 2 1 263.341 -0.058 20 0 CBADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000358166800 353631166 /nfs/dbraw/zinc/63/11/66/353631166.db2.gz PJPVQTWCESNSDI-AWEZNQCLSA-N 2 1 263.341 -0.058 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000358432109 353643818 /nfs/dbraw/zinc/64/38/18/353643818.db2.gz URUWTGLMOBXSTN-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC000358432109 353643823 /nfs/dbraw/zinc/64/38/23/353643823.db2.gz URUWTGLMOBXSTN-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000357906560 353613387 /nfs/dbraw/zinc/61/33/87/353613387.db2.gz DNDICFBZFFXIHA-UONOGXRCSA-N 2 1 298.431 -0.901 20 0 CBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000357932952 353615482 /nfs/dbraw/zinc/61/54/82/353615482.db2.gz XYTVHQZBFOMYNE-MELADBBJSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361081548 353659890 /nfs/dbraw/zinc/65/98/90/353659890.db2.gz RHURBCBZNVWXFD-SYEHKZFSSA-N 2 1 267.373 -0.132 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000362448781 353667035 /nfs/dbraw/zinc/66/70/35/353667035.db2.gz SHHKOBDHBUFJHK-UONOGXRCSA-N 2 1 282.432 -0.062 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C3C[NH2+]C3)C2)CC1 ZINC000364238408 353671143 /nfs/dbraw/zinc/67/11/43/353671143.db2.gz QVLIVEFHYFAKIS-LBPRGKRZSA-N 2 1 266.389 -0.510 20 0 CBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C3C[NH2+]C3)C2)CC1 ZINC000364238408 353671148 /nfs/dbraw/zinc/67/11/48/353671148.db2.gz QVLIVEFHYFAKIS-LBPRGKRZSA-N 2 1 266.389 -0.510 20 0 CBADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CNC(=O)C[NH3+] ZINC000364223956 353671422 /nfs/dbraw/zinc/67/14/22/353671422.db2.gz BVGQNALPFOFJKH-MNOVXSKESA-N 2 1 268.361 -0.854 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000367045812 353680215 /nfs/dbraw/zinc/68/02/15/353680215.db2.gz PNTSRTXIPJVVNM-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367045812 353680218 /nfs/dbraw/zinc/68/02/18/353680218.db2.gz PNTSRTXIPJVVNM-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367045812 353680219 /nfs/dbraw/zinc/68/02/19/353680219.db2.gz PNTSRTXIPJVVNM-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP C[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000370779512 353692037 /nfs/dbraw/zinc/69/20/37/353692037.db2.gz KQRYZEAIPKNVEQ-YPMHNXCESA-N 2 1 273.352 -0.228 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000372103105 353710412 /nfs/dbraw/zinc/71/04/12/353710412.db2.gz RWYNKVVSLXNKHB-GFCCVEGCSA-N 2 1 287.429 -0.128 20 0 CBADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)C1 ZINC000372098832 353710835 /nfs/dbraw/zinc/71/08/35/353710835.db2.gz OCMHNCVGVUBKMU-ZIAGYGMSSA-N 2 1 296.415 -0.787 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)C1 ZINC000372098832 353710838 /nfs/dbraw/zinc/71/08/38/353710838.db2.gz OCMHNCVGVUBKMU-ZIAGYGMSSA-N 2 1 296.415 -0.787 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000372435659 353717025 /nfs/dbraw/zinc/71/70/25/353717025.db2.gz FRDJOOODVQWJTO-IUODEOHRSA-N 2 1 294.399 -0.734 20 0 CBADMP CNS(=O)(=O)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000375898840 353769428 /nfs/dbraw/zinc/76/94/28/353769428.db2.gz YHWOPFJODBXKKK-UTUOFQBUSA-N 2 1 275.418 -0.002 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000375898840 353769433 /nfs/dbraw/zinc/76/94/33/353769433.db2.gz YHWOPFJODBXKKK-UTUOFQBUSA-N 2 1 275.418 -0.002 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000375986495 353770514 /nfs/dbraw/zinc/77/05/14/353770514.db2.gz DXSXNHDJEUSZIX-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000376252273 353773354 /nfs/dbraw/zinc/77/33/54/353773354.db2.gz GPTGPPVYKSZIQW-JTQLQIEISA-N 2 1 293.371 -0.494 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000376719507 353775432 /nfs/dbraw/zinc/77/54/32/353775432.db2.gz DFLISQZFGPZJDP-AAEUAGOBSA-N 2 1 273.352 -0.085 20 0 CBADMP C[C@@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000379959547 353782577 /nfs/dbraw/zinc/78/25/77/353782577.db2.gz DNFHLQFRFHERKN-MNOVXSKESA-N 2 1 263.407 -0.206 20 0 CBADMP C[C@@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000379959547 353782581 /nfs/dbraw/zinc/78/25/81/353782581.db2.gz DNFHLQFRFHERKN-MNOVXSKESA-N 2 1 263.407 -0.206 20 0 CBADMP C[S@](=O)C1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000380236793 353782751 /nfs/dbraw/zinc/78/27/51/353782751.db2.gz ARTMQMNWUIEYQF-GTNSWQLSSA-N 2 1 260.403 -0.056 20 0 CBADMP CO[C@@]1(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000381400628 353784274 /nfs/dbraw/zinc/78/42/74/353784274.db2.gz WLMKXOKMXBVQPS-CHWSQXEVSA-N 2 1 258.362 -0.163 20 0 CBADMP CO[C@@]1(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000381400628 353784275 /nfs/dbraw/zinc/78/42/75/353784275.db2.gz WLMKXOKMXBVQPS-CHWSQXEVSA-N 2 1 258.362 -0.163 20 0 CBADMP CN(C)S(=O)(=O)CC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000383129976 353785014 /nfs/dbraw/zinc/78/50/14/353785014.db2.gz RXBHSWGVBLXPCU-SNVBAGLBSA-N 2 1 263.407 -0.145 20 0 CBADMP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C(N)=O ZINC000408047695 353837334 /nfs/dbraw/zinc/83/73/34/353837334.db2.gz IHBFPJQQIPZTII-VXGBXAGGSA-N 2 1 282.388 -0.796 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C(N)=O ZINC000408047695 353837337 /nfs/dbraw/zinc/83/73/37/353837337.db2.gz IHBFPJQQIPZTII-VXGBXAGGSA-N 2 1 282.388 -0.796 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](C(N)=O)C2)CC1 ZINC000408047727 353837428 /nfs/dbraw/zinc/83/74/28/353837428.db2.gz INPJRRUUTHRCPV-FRRDWIJNSA-N 2 1 296.415 -0.408 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](C(N)=O)C2)CC1 ZINC000408047727 353837431 /nfs/dbraw/zinc/83/74/31/353837431.db2.gz INPJRRUUTHRCPV-FRRDWIJNSA-N 2 1 296.415 -0.408 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)C[C@H]1CCC[NH+]1C ZINC000388891489 353790692 /nfs/dbraw/zinc/79/06/92/353790692.db2.gz FWFWMVPSIDCIQY-ZIAGYGMSSA-N 2 1 273.421 -0.049 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN(C)C[C@H]1CCC[N@@H+]1C ZINC000388891489 353790693 /nfs/dbraw/zinc/79/06/93/353790693.db2.gz FWFWMVPSIDCIQY-ZIAGYGMSSA-N 2 1 273.421 -0.049 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN(C)C[C@H]1CCC[N@H+]1C ZINC000388891489 353790696 /nfs/dbraw/zinc/79/06/96/353790696.db2.gz FWFWMVPSIDCIQY-ZIAGYGMSSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[NH2+]CC1 ZINC000394339601 353794438 /nfs/dbraw/zinc/79/44/38/353794438.db2.gz FLKJMMGCNXEFHY-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000408164512 353862370 /nfs/dbraw/zinc/86/23/70/353862370.db2.gz MGABEYYHZSOUCK-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000408164512 353862374 /nfs/dbraw/zinc/86/23/74/353862374.db2.gz MGABEYYHZSOUCK-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C)C[NH3+])C1 ZINC000416873438 353973480 /nfs/dbraw/zinc/97/34/80/353973480.db2.gz RQJAFCACVOQUMI-NEPJUHHUSA-N 2 1 272.393 -0.010 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)NCC[NH3+])C[C@H](C)O1 ZINC000416936925 353973528 /nfs/dbraw/zinc/97/35/28/353973528.db2.gz COBSYWKKGZLPQH-PHIMTYICSA-N 2 1 258.366 -0.256 20 0 CBADMP C[NH2+]CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000416934706 353973726 /nfs/dbraw/zinc/97/37/26/353973726.db2.gz DYSXXPMPAQWMHH-LBPRGKRZSA-N 2 1 272.393 -0.138 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH2+]CC2)C1 ZINC000416865744 353973784 /nfs/dbraw/zinc/97/37/84/353973784.db2.gz JQPRRRKZMWNPIF-ZDUSSCGKSA-N 2 1 284.404 -0.042 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000417091403 353975537 /nfs/dbraw/zinc/97/55/37/353975537.db2.gz JUKFETUKVLFHTB-LLVKDONJSA-N 2 1 260.382 -0.057 20 0 CBADMP COCC[N@H+](C)CCNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000417441992 353977855 /nfs/dbraw/zinc/97/78/55/353977855.db2.gz SBCSVNHQHSYZFJ-ZDUSSCGKSA-N 2 1 290.383 -0.092 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000417441992 353977858 /nfs/dbraw/zinc/97/78/58/353977858.db2.gz SBCSVNHQHSYZFJ-ZDUSSCGKSA-N 2 1 290.383 -0.092 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417446640 353977878 /nfs/dbraw/zinc/97/78/78/353977878.db2.gz MNTAHTGULPGTFZ-CHWSQXEVSA-N 2 1 285.436 -0.081 20 0 CBADMP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000418424171 353997235 /nfs/dbraw/zinc/99/72/35/353997235.db2.gz GMVDICQPUOXXAU-DGCLKSJQSA-N 2 1 272.393 -0.274 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000417706814 353981155 /nfs/dbraw/zinc/98/11/55/353981155.db2.gz AIHHNXLMMGXNKY-VXGBXAGGSA-N 2 1 272.393 -0.151 20 0 CBADMP C[N@@H+](CCNC(=O)NCC(F)(F)CN)C1CC1 ZINC000417629679 353981262 /nfs/dbraw/zinc/98/12/62/353981262.db2.gz SPXFKRZCESWMEP-UHFFFAOYSA-N 2 1 250.293 -0.026 20 0 CBADMP C[N@@H+](CCNC(=O)NCC(F)(F)C[NH3+])C1CC1 ZINC000417629679 353981268 /nfs/dbraw/zinc/98/12/68/353981268.db2.gz SPXFKRZCESWMEP-UHFFFAOYSA-N 2 1 250.293 -0.026 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000417710289 353982174 /nfs/dbraw/zinc/98/21/74/353982174.db2.gz PCYFYSIDOOCPDI-VIFPVBQESA-N 2 1 280.319 -0.400 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000417710289 353982176 /nfs/dbraw/zinc/98/21/76/353982176.db2.gz PCYFYSIDOOCPDI-VIFPVBQESA-N 2 1 280.319 -0.400 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[NH2+]CC1 ZINC000417743534 353983086 /nfs/dbraw/zinc/98/30/86/353983086.db2.gz CDKDVZVPMXENHE-UHFFFAOYSA-N 2 1 272.393 -0.040 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)NCC[N@@H+](C)CCCOC ZINC000417760311 353983530 /nfs/dbraw/zinc/98/35/30/353983530.db2.gz XMAGXRMXVWEITR-NSHDSACASA-N 2 1 260.382 -0.009 20 0 CBADMP 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 353986167 /nfs/dbraw/zinc/98/61/67/353986167.db2.gz MCMWVOVQRZRUAQ-PREPNJAASA-N 2 1 252.362 -0.014 20 0 CBADMP C[C@H]1[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)CCC[N@H+]1C ZINC000418004228 353986806 /nfs/dbraw/zinc/98/68/06/353986806.db2.gz NXXKFBZJTCJNET-RYUDHWBXSA-N 2 1 282.388 -0.147 20 0 CBADMP C[NH+](C)CCOCCNC(=O)NCC(F)(F)C[NH3+] ZINC000418065910 353987520 /nfs/dbraw/zinc/98/75/20/353987520.db2.gz KPZNHWLQZFUFKE-UHFFFAOYSA-N 2 1 268.308 -0.542 20 0 CBADMP C[NH2+]CCCNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000418278132 353990560 /nfs/dbraw/zinc/99/05/60/353990560.db2.gz KTAPVBFDBFJENW-TXEJJXNPSA-N 2 1 272.393 -0.308 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418297566 353992000 /nfs/dbraw/zinc/99/20/00/353992000.db2.gz LFBCNIRYFOQAQD-UHFFFAOYSA-N 2 1 283.420 -0.373 20 0 CBADMP C[NH2+]CCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000418329339 353993821 /nfs/dbraw/zinc/99/38/21/353993821.db2.gz OSGOAAYEZAQFHA-LLVKDONJSA-N 2 1 272.393 -0.308 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000418355362 353994694 /nfs/dbraw/zinc/99/46/94/353994694.db2.gz BJHISNWYMNZQRC-OLZOCXBDSA-N 2 1 284.404 -0.116 20 0 CBADMP C[C@H]1CN(C(=O)NCCC[NH3+])CC[N@H+]1CC(C)(C)O ZINC000418362898 353994784 /nfs/dbraw/zinc/99/47/84/353994784.db2.gz VFBVJQBUZDAJBZ-NSHDSACASA-N 2 1 272.393 -0.178 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000418355364 353995062 /nfs/dbraw/zinc/99/50/62/353995062.db2.gz BJHISNWYMNZQRC-STQMWFEESA-N 2 1 284.404 -0.116 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000418379733 353995663 /nfs/dbraw/zinc/99/56/63/353995663.db2.gz WGNQEGUSKLZOGQ-QWHCGFSZSA-N 2 1 284.404 -0.116 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH+](CCOC)CC1 ZINC000418392438 353995936 /nfs/dbraw/zinc/99/59/36/353995936.db2.gz QCDWUAYRLSVFFV-LBPRGKRZSA-N 2 1 272.393 -0.185 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418382981 353996094 /nfs/dbraw/zinc/99/60/94/353996094.db2.gz INNWANVNVIJPLA-LLVKDONJSA-N 2 1 260.382 -0.417 20 0 CBADMP COCC[NH+]1CCN(C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000418394850 353996558 /nfs/dbraw/zinc/99/65/58/353996558.db2.gz BJIGXRZWUUNNAL-LBPRGKRZSA-N 2 1 272.393 -0.057 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)[C@@H](C)C1 ZINC000418495451 353999260 /nfs/dbraw/zinc/99/92/60/353999260.db2.gz GAOPEVYEHKDTFZ-GVXVVHGQSA-N 2 1 284.404 -0.180 20 0 CBADMP COCC[NH2+]CCNC(=O)NCC(F)(F)C[NH3+] ZINC000418505638 354000028 /nfs/dbraw/zinc/00/00/28/354000028.db2.gz FUNCELWEOPQLCM-UHFFFAOYSA-N 2 1 254.281 -0.884 20 0 CBADMP [NH3+]CC[C@H](NC(=O)NCC(F)(F)C[NH3+])C(F)F ZINC000418517737 354001653 /nfs/dbraw/zinc/00/16/53/354001653.db2.gz VZLMGVDPONNWNN-YFKPBYRVSA-N 2 1 260.235 -0.138 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000418737823 354006297 /nfs/dbraw/zinc/00/62/97/354006297.db2.gz WFSCOYVXLOETAP-WOPDTQHZSA-N 2 1 272.393 -0.180 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418772200 354008970 /nfs/dbraw/zinc/00/89/70/354008970.db2.gz SKRBJAXQBULPHD-CHWSQXEVSA-N 2 1 284.404 -0.044 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418781568 354009092 /nfs/dbraw/zinc/00/90/92/354009092.db2.gz CRPFISFTUZMPBD-MELADBBJSA-N 2 1 298.431 -0.012 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000418950125 354016493 /nfs/dbraw/zinc/01/64/93/354016493.db2.gz VSGMQTOCKKJULO-UHFFFAOYSA-N 2 1 292.383 -0.348 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000418984076 354019337 /nfs/dbraw/zinc/01/93/37/354019337.db2.gz KVQJWDYXOVCQEX-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000419021378 354023592 /nfs/dbraw/zinc/02/35/92/354023592.db2.gz GZWPTELUEWBBJI-XQQFMLRXSA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419019483 354024009 /nfs/dbraw/zinc/02/40/09/354024009.db2.gz DQHXIFPXDJSODL-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419024909 354024248 /nfs/dbraw/zinc/02/42/48/354024248.db2.gz LGUSZYKCAFWJGZ-UPJWGTAASA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000419025648 354024339 /nfs/dbraw/zinc/02/43/39/354024339.db2.gz OCHIWGUEJWFFSO-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419027305 354025416 /nfs/dbraw/zinc/02/54/16/354025416.db2.gz OMOPDNNSYBJPGW-TUAOUCFPSA-N 2 1 284.404 -0.456 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000419033210 354026132 /nfs/dbraw/zinc/02/61/32/354026132.db2.gz YFEPTQHKKQZHIT-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419080738 354027313 /nfs/dbraw/zinc/02/73/13/354027313.db2.gz QFMCJNRPRWOAQE-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419083625 354027538 /nfs/dbraw/zinc/02/75/38/354027538.db2.gz XAPMLILZFDQDSF-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419083334 354027644 /nfs/dbraw/zinc/02/76/44/354027644.db2.gz WIFLUBHBRKGHRQ-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419096064 354028636 /nfs/dbraw/zinc/02/86/36/354028636.db2.gz DEHAZISIVQWGDH-NSHDSACASA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419109423 354028708 /nfs/dbraw/zinc/02/87/08/354028708.db2.gz RHYINENKLYATCI-CMPLNLGQSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419109429 354028863 /nfs/dbraw/zinc/02/88/63/354028863.db2.gz RHYINENKLYATCI-PWSUYJOCSA-N 2 1 282.388 -0.689 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000419100694 354028969 /nfs/dbraw/zinc/02/89/69/354028969.db2.gz JEJTVSHUFSUVIU-YPMHNXCESA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)C1CC1 ZINC000419114930 354029907 /nfs/dbraw/zinc/02/99/07/354029907.db2.gz XOKADKDPGYARDW-ZDUSSCGKSA-N 2 1 296.415 -0.170 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419279587 354043325 /nfs/dbraw/zinc/04/33/25/354043325.db2.gz CWMADPYKAILPLB-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419279586 354043342 /nfs/dbraw/zinc/04/33/42/354043342.db2.gz CWMADPYKAILPLB-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419158838 354033948 /nfs/dbraw/zinc/03/39/48/354033948.db2.gz YLGRRQYOHBCJSG-YPMHNXCESA-N 2 1 294.399 -0.450 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000419218000 354037110 /nfs/dbraw/zinc/03/71/10/354037110.db2.gz FIQARXFNGWXVLE-NSHDSACASA-N 2 1 268.361 -0.782 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000419219720 354038045 /nfs/dbraw/zinc/03/80/45/354038045.db2.gz HPKSEIJMQUNVJQ-LBPRGKRZSA-N 2 1 282.388 -0.440 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419220803 354038284 /nfs/dbraw/zinc/03/82/84/354038284.db2.gz JEAYWVQKRNSVFS-GFCCVEGCSA-N 2 1 280.372 -0.767 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000419222945 354038314 /nfs/dbraw/zinc/03/83/14/354038314.db2.gz LMTCTEBJFABPIR-STQMWFEESA-N 2 1 294.399 -0.440 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419279006 354043489 /nfs/dbraw/zinc/04/34/89/354043489.db2.gz BVCRSRGAOSRVSP-NSHDSACASA-N 2 1 272.393 -0.455 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419226537 354039011 /nfs/dbraw/zinc/03/90/11/354039011.db2.gz JEMFQOPVMOWROA-WCQYABFASA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[N@H+]1C ZINC000419556631 354061902 /nfs/dbraw/zinc/06/19/02/354061902.db2.gz KWTYMLIQUNYINT-NDBYEHHHSA-N 2 1 294.399 -0.737 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419566012 354062411 /nfs/dbraw/zinc/06/24/11/354062411.db2.gz ZJGQLTGGAMJWNI-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)CCC[N@H+]1C ZINC000419564097 354062925 /nfs/dbraw/zinc/06/29/25/354062925.db2.gz WZEUMCBEOKUEOW-WCQYABFASA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000419581502 354063444 /nfs/dbraw/zinc/06/34/44/354063444.db2.gz IIDNOYPUBZVXRR-NWDGAFQWSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000419585681 354064141 /nfs/dbraw/zinc/06/41/41/354064141.db2.gz LXTSSSNJRSPYDJ-GHMZBOCLSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419593163 354064586 /nfs/dbraw/zinc/06/45/86/354064586.db2.gz SRMDFWRFCYZWPY-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000419593576 354064770 /nfs/dbraw/zinc/06/47/70/354064770.db2.gz SWMMJACYZAIGLS-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419595652 354065001 /nfs/dbraw/zinc/06/50/01/354065001.db2.gz WVWZJIDVAQSXFY-LBPRGKRZSA-N 2 1 296.415 -0.025 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419692820 354070524 /nfs/dbraw/zinc/07/05/24/354070524.db2.gz HRDGNIYUTXTDGN-NEPJUHHUSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419697074 354070604 /nfs/dbraw/zinc/07/06/04/354070604.db2.gz QBSNSOPWRXKVJL-NSHDSACASA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419730510 354074182 /nfs/dbraw/zinc/07/41/82/354074182.db2.gz KCJQQHUDHJOHSE-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N1CC[NH2+]CC1 ZINC000419740745 354074741 /nfs/dbraw/zinc/07/47/41/354074741.db2.gz XZVDDRCKEXDEAC-CYBMUJFWSA-N 2 1 294.399 -0.449 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419762161 354075702 /nfs/dbraw/zinc/07/57/02/354075702.db2.gz LOFIHBICKHIGFF-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)CC[NH3+] ZINC000419768391 354076233 /nfs/dbraw/zinc/07/62/33/354076233.db2.gz UJCIFHYKTYQTOC-UHFFFAOYSA-N 2 1 258.366 -0.748 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000419770429 354076677 /nfs/dbraw/zinc/07/66/77/354076677.db2.gz FGPSUHHWHRKDKO-QWRGUYRKSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000419785072 354077226 /nfs/dbraw/zinc/07/72/26/354077226.db2.gz YHBMNFHIWDOZPU-NEPJUHHUSA-N 2 1 298.431 -0.066 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH2+]CC1 ZINC000419805042 354079558 /nfs/dbraw/zinc/07/95/58/354079558.db2.gz BVDCQGMDQXBCQX-NWDGAFQWSA-N 2 1 280.372 -0.839 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419821757 354080563 /nfs/dbraw/zinc/08/05/63/354080563.db2.gz LACNOTOGEROKMO-AGIUHOORSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC[NH2+]1 ZINC000419836265 354082232 /nfs/dbraw/zinc/08/22/32/354082232.db2.gz VMSPQGRKRBVGKP-YNEHKIRRSA-N 2 1 294.399 -0.450 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419838004 354082558 /nfs/dbraw/zinc/08/25/58/354082558.db2.gz DUSYNTNSJNCURI-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCCC[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000419841791 354082848 /nfs/dbraw/zinc/08/28/48/354082848.db2.gz UTZWGXZYMFPOHA-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCC[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000419839247 354083064 /nfs/dbraw/zinc/08/30/64/354083064.db2.gz QBUYNVNNTKWJDT-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000419848169 354084884 /nfs/dbraw/zinc/08/48/84/354084884.db2.gz TWMSXVZVPRHYHF-UHFFFAOYSA-N 2 1 284.404 -0.488 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000419847866 354085065 /nfs/dbraw/zinc/08/50/65/354085065.db2.gz SKHCQIZZGSCJLB-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP [NH3+][C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)C1CC1 ZINC000419857146 354085464 /nfs/dbraw/zinc/08/54/64/354085464.db2.gz GBBOHPUWIXKAFR-ZDUSSCGKSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NCC[N@@H+](CC)C(C)C ZINC000419862393 354086177 /nfs/dbraw/zinc/08/61/77/354086177.db2.gz BKEWIDKWUOSPNB-UHFFFAOYSA-N 2 1 272.393 -0.441 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419290430 354044176 /nfs/dbraw/zinc/04/41/76/354044176.db2.gz VNIAZCGFHKZXDX-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419285882 354044373 /nfs/dbraw/zinc/04/43/73/354044373.db2.gz NFVCWQSFTJZGHK-UHFFFAOYSA-N 2 1 272.393 -0.312 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000419315209 354045832 /nfs/dbraw/zinc/04/58/32/354045832.db2.gz JNIVYRHEPYFJTD-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C[N@H+]1C1CC1 ZINC000419322079 354045877 /nfs/dbraw/zinc/04/58/77/354045877.db2.gz RULDIKWFSRJBCF-IRUJWGPZSA-N 2 1 294.399 -0.419 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000419315455 354045941 /nfs/dbraw/zinc/04/59/41/354045941.db2.gz JWAOFWJGHLCLEH-SRVKXCTJSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[N@H+]1C1CC1 ZINC000419316670 354046037 /nfs/dbraw/zinc/04/60/37/354046037.db2.gz LOWDFFROQGDGNG-SDDRHHMPSA-N 2 1 294.399 -0.452 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000419336951 354046903 /nfs/dbraw/zinc/04/69/03/354046903.db2.gz QCJIISMOYBNSNX-GMXVVIOVSA-N 2 1 296.415 -0.443 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000419322901 354046909 /nfs/dbraw/zinc/04/69/09/354046909.db2.gz SYTYYAOASWUPIH-WOPDTQHZSA-N 2 1 294.399 -0.404 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000419338386 354046953 /nfs/dbraw/zinc/04/69/53/354046953.db2.gz SJKQQXVSBRGNNX-PWSUYJOCSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419333988 354047179 /nfs/dbraw/zinc/04/71/79/354047179.db2.gz MUSXMJZPCCXYOK-ZYHUDNBSSA-N 2 1 280.372 -0.983 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000419336953 354047482 /nfs/dbraw/zinc/04/74/82/354047482.db2.gz QCJIISMOYBNSNX-LOWVWBTDSA-N 2 1 296.415 -0.443 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)C[C@H]1[NH3+] ZINC000419401340 354050702 /nfs/dbraw/zinc/05/07/02/354050702.db2.gz AVJDNEIDQGXSEQ-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419407256 354051704 /nfs/dbraw/zinc/05/17/04/354051704.db2.gz JYGMARUWOYNXPY-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000419408866 354052731 /nfs/dbraw/zinc/05/27/31/354052731.db2.gz MFUVFCYVMHEBME-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCCC[NH3+])C1 ZINC000419416442 354053625 /nfs/dbraw/zinc/05/36/25/354053625.db2.gz HFLZFDYADISIOY-BETUJISGSA-N 2 1 298.431 -0.064 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419417250 354053839 /nfs/dbraw/zinc/05/38/39/354053839.db2.gz XCMZCOUHIIJMLQ-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419501824 354056762 /nfs/dbraw/zinc/05/67/62/354056762.db2.gz CDJSCNYDSPKMDG-AVGNSLFASA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419523641 354057166 /nfs/dbraw/zinc/05/71/66/354057166.db2.gz OURGVAIPOPFGDS-NSHDSACASA-N 2 1 284.404 -0.170 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419521225 354057219 /nfs/dbraw/zinc/05/72/19/354057219.db2.gz JOIFGMDZZXTFFX-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCC[NH2+]C ZINC000419521564 354057537 /nfs/dbraw/zinc/05/75/37/354057537.db2.gz KGGXCIAJOXRXDQ-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000419522648 354057734 /nfs/dbraw/zinc/05/77/34/354057734.db2.gz MYQUMERBLSMCBD-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419528035 354058111 /nfs/dbraw/zinc/05/81/11/354058111.db2.gz VUDDCPRTFHDCJV-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419525588 354058614 /nfs/dbraw/zinc/05/86/14/354058614.db2.gz ROQLLZWITDKZOH-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419524561 354058714 /nfs/dbraw/zinc/05/87/14/354058714.db2.gz QFQDXTIHNAUWMR-CMPLNLGQSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH3+])C1CC1 ZINC000419524847 354058772 /nfs/dbraw/zinc/05/87/72/354058772.db2.gz QLEYEAOKRGDFHM-SNVBAGLBSA-N 2 1 270.377 -0.702 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419524913 354058797 /nfs/dbraw/zinc/05/87/97/354058797.db2.gz QOOUDQLKLBAORZ-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000419881365 354088867 /nfs/dbraw/zinc/08/88/67/354088867.db2.gz WDZPAEURSVEUNH-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCC[N@H+]1C ZINC000419540861 354059659 /nfs/dbraw/zinc/05/96/59/354059659.db2.gz CSMVMWOBZNKIRM-UTUOFQBUSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000419540115 354059708 /nfs/dbraw/zinc/05/97/08/354059708.db2.gz BXOJFDOXNDVCDO-WDEREUQCSA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CCC[N@@H+]1C ZINC000419541715 354059775 /nfs/dbraw/zinc/05/97/75/354059775.db2.gz DGUHMWBAFPDQSW-BDAKNGLRSA-N 2 1 292.330 -0.705 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CCC[N@H+]1C ZINC000419541715 354059777 /nfs/dbraw/zinc/05/97/77/354059777.db2.gz DGUHMWBAFPDQSW-BDAKNGLRSA-N 2 1 292.330 -0.705 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419543214 354060584 /nfs/dbraw/zinc/06/05/84/354060584.db2.gz GAVMAUSIXHUXIL-UTUOFQBUSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCC[N@H+]1C ZINC000419542362 354060643 /nfs/dbraw/zinc/06/06/43/354060643.db2.gz FJPSPHNNGNKUFQ-QJPTWQEYSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000419880756 354089085 /nfs/dbraw/zinc/08/90/85/354089085.db2.gz ALHJQGYAZWLASY-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000419880756 354089090 /nfs/dbraw/zinc/08/90/90/354089090.db2.gz ALHJQGYAZWLASY-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419894470 354090919 /nfs/dbraw/zinc/09/09/19/354090919.db2.gz RDZYQBKIOUEPAZ-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419894470 354090922 /nfs/dbraw/zinc/09/09/22/354090922.db2.gz RDZYQBKIOUEPAZ-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419898248 354091568 /nfs/dbraw/zinc/09/15/68/354091568.db2.gz WPMIGBPEEAKIKS-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000419901907 354091595 /nfs/dbraw/zinc/09/15/95/354091595.db2.gz BHSRVGKAWONGHD-YNEHKIRRSA-N 2 1 294.399 -0.593 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000419938528 354094259 /nfs/dbraw/zinc/09/42/59/354094259.db2.gz WZEFSDNBRATHCU-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000419938528 354094263 /nfs/dbraw/zinc/09/42/63/354094263.db2.gz WZEFSDNBRATHCU-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000419927453 354094384 /nfs/dbraw/zinc/09/43/84/354094384.db2.gz CSHWODFTCOHOHS-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419939060 354094588 /nfs/dbraw/zinc/09/45/88/354094588.db2.gz QNGQRXRSIGNMDT-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419944850 354095435 /nfs/dbraw/zinc/09/54/35/354095435.db2.gz BQLHYZHHQPNEJX-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419953554 354096168 /nfs/dbraw/zinc/09/61/68/354096168.db2.gz PVXQWFIHTXCIAN-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000419958111 354097555 /nfs/dbraw/zinc/09/75/55/354097555.db2.gz UQKKZLAYFKEIAR-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000419958111 354097556 /nfs/dbraw/zinc/09/75/56/354097556.db2.gz UQKKZLAYFKEIAR-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000419973441 354098045 /nfs/dbraw/zinc/09/80/45/354098045.db2.gz HWMFJSSNPBZRCW-CYBMUJFWSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000419966131 354098155 /nfs/dbraw/zinc/09/81/55/354098155.db2.gz ZFMQOTQRTUQXFQ-NSHDSACASA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000419966129 354098273 /nfs/dbraw/zinc/09/82/73/354098273.db2.gz ZFMQOTQRTUQXFQ-LLVKDONJSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000419973763 354098978 /nfs/dbraw/zinc/09/89/78/354098978.db2.gz IJEFZKQPHHBIAX-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000419991121 354100382 /nfs/dbraw/zinc/10/03/82/354100382.db2.gz GRVTYIGIXJSHMB-ZDUSSCGKSA-N 2 1 296.415 -0.217 20 0 CBADMP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)C1CC1 ZINC000420038000 354104951 /nfs/dbraw/zinc/10/49/51/354104951.db2.gz MNNDQWDXRXCIRL-CYBMUJFWSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000420108592 354109251 /nfs/dbraw/zinc/10/92/51/354109251.db2.gz CRDTZNZHWKEUOA-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC(F)(F)CN)CC1 ZINC000420166096 354114970 /nfs/dbraw/zinc/11/49/70/354114970.db2.gz IGIFLQGHRRVXIV-UHFFFAOYSA-N 2 1 292.330 -0.749 20 0 CBADMP CC[N@@H+]1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420166096 354114972 /nfs/dbraw/zinc/11/49/72/354114972.db2.gz IGIFLQGHRRVXIV-UHFFFAOYSA-N 2 1 292.330 -0.749 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000420176765 354116250 /nfs/dbraw/zinc/11/62/50/354116250.db2.gz XOCHEWGVCLPUFH-AGIUHOORSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH2+][C@H]1CCCN(CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000420288412 354121413 /nfs/dbraw/zinc/12/14/13/354121413.db2.gz GZCKHWALNVUHEC-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420302333 354121504 /nfs/dbraw/zinc/12/15/04/354121504.db2.gz FSVUVHJYJMYAJM-QJPTWQEYSA-N 2 1 283.372 -0.275 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420302076 354122038 /nfs/dbraw/zinc/12/20/38/354122038.db2.gz WEZVVOZKVGIUFR-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH2+][C@H](C)C2)CC1 ZINC000420343087 354124250 /nfs/dbraw/zinc/12/42/50/354124250.db2.gz YSIJQKZDQRTSGE-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000420360866 354125362 /nfs/dbraw/zinc/12/53/62/354125362.db2.gz MKNJAJRYINZXHX-LBPRGKRZSA-N 2 1 283.372 -0.260 20 0 CBADMP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000420360866 354125365 /nfs/dbraw/zinc/12/53/65/354125365.db2.gz MKNJAJRYINZXHX-LBPRGKRZSA-N 2 1 283.372 -0.260 20 0 CBADMP CNC(=O)NC(=O)CC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420358243 354125789 /nfs/dbraw/zinc/12/57/89/354125789.db2.gz FELHGNYCCBISDW-ATZCPNFKSA-N 2 1 256.350 -0.192 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+](C)CCC[NH2+]C ZINC000420382481 354126371 /nfs/dbraw/zinc/12/63/71/354126371.db2.gz DOLHWGXDGYPNPS-UHFFFAOYSA-N 2 1 251.396 -0.143 20 0 CBADMP COC(=O)CN(C)C(=O)CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420375423 354126781 /nfs/dbraw/zinc/12/67/81/354126781.db2.gz SXIGHBMSNBEAJX-JTNHKYCSSA-N 2 1 285.388 -0.016 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423235082 354165395 /nfs/dbraw/zinc/16/53/95/354165395.db2.gz GFUSCUOMVQBBLF-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423236954 354165430 /nfs/dbraw/zinc/16/54/30/354165430.db2.gz HQCSABNFAJPSCS-GFCCVEGCSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC[NH2+]1 ZINC000423252604 354166970 /nfs/dbraw/zinc/16/69/70/354166970.db2.gz XTXXTRQWPVYKHU-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C[C@H](C)[NH2+]1 ZINC000423247224 354167218 /nfs/dbraw/zinc/16/72/18/354167218.db2.gz QHXIJRDDUFIWAP-XQQFMLRXSA-N 2 1 296.415 -0.252 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000423339457 354169598 /nfs/dbraw/zinc/16/95/98/354169598.db2.gz VCROTRGCFWAEPO-MNOVXSKESA-N 2 1 271.361 -0.133 20 0 CBADMP CC(C)[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H](C)[NH3+] ZINC000423343459 354170199 /nfs/dbraw/zinc/17/01/99/354170199.db2.gz ZVDQYWXCOYXLAU-TZMCWYRMSA-N 2 1 298.431 -0.114 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423368460 354172212 /nfs/dbraw/zinc/17/22/12/354172212.db2.gz ZWFXMZZRJCXOPI-STQMWFEESA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423368460 354172215 /nfs/dbraw/zinc/17/22/15/354172215.db2.gz ZWFXMZZRJCXOPI-STQMWFEESA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@@H+]1C ZINC000423367350 354172740 /nfs/dbraw/zinc/17/27/40/354172740.db2.gz AFIPTHYJQKQGGT-STQMWFEESA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@H+]1C ZINC000423367350 354172741 /nfs/dbraw/zinc/17/27/41/354172741.db2.gz AFIPTHYJQKQGGT-STQMWFEESA-N 2 1 296.415 -0.408 20 0 CBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423380091 354173576 /nfs/dbraw/zinc/17/35/76/354173576.db2.gz DIVIJBXMXLNCGO-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H]1C ZINC000423381732 354173791 /nfs/dbraw/zinc/17/37/91/354173791.db2.gz IICYCUQYSRZSHF-CZXHOFHRSA-N 2 1 267.373 -0.348 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H]1C ZINC000423381732 354173792 /nfs/dbraw/zinc/17/37/92/354173792.db2.gz IICYCUQYSRZSHF-CZXHOFHRSA-N 2 1 267.373 -0.348 20 0 CBADMP CC[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000423379209 354173801 /nfs/dbraw/zinc/17/38/01/354173801.db2.gz GKYXGWSYDBLUJA-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@@H]1C ZINC000423394358 354174552 /nfs/dbraw/zinc/17/45/52/354174552.db2.gz RIHSUPAKWQKSOY-SRVKXCTJSA-N 2 1 282.388 -0.513 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@@H]1C ZINC000423394358 354174555 /nfs/dbraw/zinc/17/45/55/354174555.db2.gz RIHSUPAKWQKSOY-SRVKXCTJSA-N 2 1 282.388 -0.513 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@@H]1C ZINC000423391093 354174779 /nfs/dbraw/zinc/17/47/79/354174779.db2.gz PGSSWQZFENELHM-AVGNSLFASA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@@H]1C ZINC000423391093 354174781 /nfs/dbraw/zinc/17/47/81/354174781.db2.gz PGSSWQZFENELHM-AVGNSLFASA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H]1C ZINC000423391095 354174992 /nfs/dbraw/zinc/17/49/92/354174992.db2.gz PGSSWQZFENELHM-JHJVBQTASA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H]1C ZINC000423391095 354174995 /nfs/dbraw/zinc/17/49/95/354174995.db2.gz PGSSWQZFENELHM-JHJVBQTASA-N 2 1 296.415 -0.123 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000423415424 354175759 /nfs/dbraw/zinc/17/57/59/354175759.db2.gz AMVFXYNIZOZUBB-QWHCGFSZSA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000422716426 354151766 /nfs/dbraw/zinc/15/17/66/354151766.db2.gz UPSZAPHCQRENNY-NWDGAFQWSA-N 2 1 255.362 -0.084 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000422716426 354151769 /nfs/dbraw/zinc/15/17/69/354151769.db2.gz UPSZAPHCQRENNY-NWDGAFQWSA-N 2 1 255.362 -0.084 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000422965689 354158429 /nfs/dbraw/zinc/15/84/29/354158429.db2.gz PKYDFHZXWOFIPJ-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC000328677980 202007207 /nfs/dbraw/zinc/00/72/07/202007207.db2.gz MGWHDNVBUSWLNG-LLVKDONJSA-N 2 1 268.361 -0.189 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC000328677980 202007209 /nfs/dbraw/zinc/00/72/09/202007209.db2.gz MGWHDNVBUSWLNG-LLVKDONJSA-N 2 1 268.361 -0.189 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@H]1C[NH2+]CCN1C ZINC000423500853 354178811 /nfs/dbraw/zinc/17/88/11/354178811.db2.gz DBCVWDJQUYZWJU-MRVWCRGKSA-N 2 1 252.406 -0.038 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC[NH2+]1 ZINC000423519877 354179161 /nfs/dbraw/zinc/17/91/61/354179161.db2.gz JOLFCCWNZIHIFB-LLVKDONJSA-N 2 1 282.388 -0.641 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000423601201 354183074 /nfs/dbraw/zinc/18/30/74/354183074.db2.gz ZWESUAHADDSJLN-FRRDWIJNSA-N 2 1 296.415 -0.252 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000423601201 354183076 /nfs/dbraw/zinc/18/30/76/354183076.db2.gz ZWESUAHADDSJLN-FRRDWIJNSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423609018 354184182 /nfs/dbraw/zinc/18/41/82/354184182.db2.gz KOGONZXGKSJTOH-LLVKDONJSA-N 2 1 268.361 -0.901 20 0 CBADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423627840 354187000 /nfs/dbraw/zinc/18/70/00/354187000.db2.gz VGEXXVQVGOMNQM-OAHLLOKOSA-N 2 1 294.399 -0.638 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000423651841 354188822 /nfs/dbraw/zinc/18/88/22/354188822.db2.gz RECLNJMUPIJOOS-DOMZBBRYSA-N 2 1 294.399 -0.639 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000423651842 354189403 /nfs/dbraw/zinc/18/94/03/354189403.db2.gz RECLNJMUPIJOOS-IUODEOHRSA-N 2 1 294.399 -0.639 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)C[C@@H](C)N1 ZINC000423670349 354189998 /nfs/dbraw/zinc/18/99/98/354189998.db2.gz AVQCTDSQDVKBMI-LPWJVIDDSA-N 2 1 296.415 -0.254 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423679586 354191339 /nfs/dbraw/zinc/19/13/39/354191339.db2.gz RQSDINYJKKMKEH-GFCCVEGCSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C[C@H]1[NH3+] ZINC000423732676 354194899 /nfs/dbraw/zinc/19/48/99/354194899.db2.gz ZNTFJCQTIRHADK-GRYCIOLGSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC000423731814 354195028 /nfs/dbraw/zinc/19/50/28/354195028.db2.gz YNHMLNVMYLWGMT-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C1 ZINC000423729264 354195067 /nfs/dbraw/zinc/19/50/67/354195067.db2.gz UZEBNCUZLCLIOC-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)C[C@H](C)[N@@H+]1C ZINC000423741275 354196354 /nfs/dbraw/zinc/19/63/54/354196354.db2.gz SQUBOUHAUUSIHQ-WUHRBBMRSA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)C[C@H](C)[N@H+]1C ZINC000423741275 354196357 /nfs/dbraw/zinc/19/63/57/354196357.db2.gz SQUBOUHAUUSIHQ-WUHRBBMRSA-N 2 1 296.415 -0.267 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000423748909 354196914 /nfs/dbraw/zinc/19/69/14/354196914.db2.gz ZWYPXHNEVJHFHI-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423763880 354198182 /nfs/dbraw/zinc/19/81/82/354198182.db2.gz QTZPIJKSVXCYBC-FRRDWIJNSA-N 2 1 287.404 -0.082 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423763880 354198185 /nfs/dbraw/zinc/19/81/85/354198185.db2.gz QTZPIJKSVXCYBC-FRRDWIJNSA-N 2 1 287.404 -0.082 20 0 CBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)C[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000423761022 354198193 /nfs/dbraw/zinc/19/81/93/354198193.db2.gz KWQWQCKDAXFSQC-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)C[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000423761022 354198196 /nfs/dbraw/zinc/19/81/96/354198196.db2.gz KWQWQCKDAXFSQC-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000423780306 354199416 /nfs/dbraw/zinc/19/94/16/354199416.db2.gz GKNHODZNJKLQOM-VXGBXAGGSA-N 2 1 285.388 -0.062 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000423790747 354200680 /nfs/dbraw/zinc/20/06/80/354200680.db2.gz ULJGGDHOYOHBCC-LLVKDONJSA-N 2 1 299.371 -0.929 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@H](C)[NH3+])[C@@H](C)C1 ZINC000423860056 354201468 /nfs/dbraw/zinc/20/14/68/354201468.db2.gz LGAZMWIBBNRRMY-QWRGUYRKSA-N 2 1 271.361 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@H](C)[NH3+])[C@@H](C)C1 ZINC000423860056 354201471 /nfs/dbraw/zinc/20/14/71/354201471.db2.gz LGAZMWIBBNRRMY-QWRGUYRKSA-N 2 1 271.361 -0.181 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@@H](C)[NH3+])[C@H](C)C1 ZINC000423860054 354202213 /nfs/dbraw/zinc/20/22/13/354202213.db2.gz LGAZMWIBBNRRMY-GHMZBOCLSA-N 2 1 271.361 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@@H](C)[NH3+])[C@H](C)C1 ZINC000423860054 354202217 /nfs/dbraw/zinc/20/22/17/354202217.db2.gz LGAZMWIBBNRRMY-GHMZBOCLSA-N 2 1 271.361 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C[NH3+])OC)[C@@H](C)C1 ZINC000423865129 354202895 /nfs/dbraw/zinc/20/28/95/354202895.db2.gz ZZAKDPJFUYXLSB-WDEREUQCSA-N 2 1 287.360 -0.944 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C[NH3+])OC)[C@@H](C)C1 ZINC000423865129 354202899 /nfs/dbraw/zinc/20/28/99/354202899.db2.gz ZZAKDPJFUYXLSB-WDEREUQCSA-N 2 1 287.360 -0.944 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CC[NH3+])[C@@H](C)C1 ZINC000423864207 354203063 /nfs/dbraw/zinc/20/30/63/354203063.db2.gz YKACFEOABYWQJK-JTQLQIEISA-N 2 1 257.334 -0.569 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)CC[NH3+])[C@@H](C)C1 ZINC000423864207 354203073 /nfs/dbraw/zinc/20/30/73/354203073.db2.gz YKACFEOABYWQJK-JTQLQIEISA-N 2 1 257.334 -0.569 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C(C)(C)[NH3+])C[C@@H]1C ZINC000423877028 354203386 /nfs/dbraw/zinc/20/33/86/354203386.db2.gz CSWGNDAOVWBIIC-JTQLQIEISA-N 2 1 271.361 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)C(C)(C)[NH3+])C[C@@H]1C ZINC000423877028 354203388 /nfs/dbraw/zinc/20/33/88/354203388.db2.gz CSWGNDAOVWBIIC-JTQLQIEISA-N 2 1 271.361 -0.181 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423897005 354203887 /nfs/dbraw/zinc/20/38/87/354203887.db2.gz OHFRYOUWVAROMV-RYUDHWBXSA-N 2 1 285.388 -0.062 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423897005 354203889 /nfs/dbraw/zinc/20/38/89/354203889.db2.gz OHFRYOUWVAROMV-RYUDHWBXSA-N 2 1 285.388 -0.062 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000423885712 354204500 /nfs/dbraw/zinc/20/45/00/354204500.db2.gz DZLDXTUPIJOCNB-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000423885712 354204502 /nfs/dbraw/zinc/20/45/02/354204502.db2.gz DZLDXTUPIJOCNB-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423998362 354207398 /nfs/dbraw/zinc/20/73/98/354207398.db2.gz ZKRGZNMZMABUOD-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424140680 354210897 /nfs/dbraw/zinc/21/08/97/354210897.db2.gz SQCFSYJOEAEEQC-UTUOFQBUSA-N 2 1 255.362 -0.193 20 0 CBADMP CC[NH+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424137875 354211007 /nfs/dbraw/zinc/21/10/07/354211007.db2.gz PLWRBTBIWWCCCZ-LBPRGKRZSA-N 2 1 292.387 -0.020 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](C)C1 ZINC000424163586 354212818 /nfs/dbraw/zinc/21/28/18/354212818.db2.gz AJVLHZBTDQENEV-MXWKQRLJSA-N 2 1 269.345 -0.571 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](C)C1 ZINC000424163586 354212822 /nfs/dbraw/zinc/21/28/22/354212822.db2.gz AJVLHZBTDQENEV-MXWKQRLJSA-N 2 1 269.345 -0.571 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000424170268 354213740 /nfs/dbraw/zinc/21/37/40/354213740.db2.gz JBXUQKHZQSYAQT-RWMBFGLXSA-N 2 1 267.373 -0.083 20 0 CBADMP [NH3+]CC[C@@H](NC(=O)[C@H]1COCC[NH2+]1)C(F)(F)F ZINC000424172858 354213884 /nfs/dbraw/zinc/21/38/84/354213884.db2.gz DOZBGFAFGZNMCK-RNFRBKRXSA-N 2 1 255.240 -0.629 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCN1CC[NH2+]CC1 ZINC000428639179 354247160 /nfs/dbraw/zinc/24/71/60/354247160.db2.gz DTXXWYOFCDNUQT-BETUJISGSA-N 2 1 268.405 -0.119 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)COC1C[NH2+]C1 ZINC000430681679 354250664 /nfs/dbraw/zinc/25/06/64/354250664.db2.gz FLUVYCFKPZHBPN-LLVKDONJSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@H](CNC(=O)CCC[NH3+])CN1CC[NH+](C)CC1 ZINC000431015149 354251561 /nfs/dbraw/zinc/25/15/61/354251561.db2.gz NIWPSUUBLAJHJG-GFCCVEGCSA-N 2 1 256.394 -0.275 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000431032845 354251802 /nfs/dbraw/zinc/25/18/02/354251802.db2.gz FBWGJPMIAHJGCB-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[C@]1(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC[NH2+]C1 ZINC000431004188 354251813 /nfs/dbraw/zinc/25/18/13/354251813.db2.gz IQJMDNRISQMSRP-UKRRQHHQSA-N 2 1 298.431 -0.635 20 0 CBADMP C[C@H]1C[C@H](NC(=O)COC2C[NH2+]C2)C[N@H+]1C1CC1 ZINC000431027846 354251896 /nfs/dbraw/zinc/25/18/96/354251896.db2.gz YSNMYMVRMDKEFH-UWVGGRQHSA-N 2 1 253.346 -0.284 20 0 CBADMP COCCOCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436054815 354255917 /nfs/dbraw/zinc/25/59/17/354255917.db2.gz AGBWBEGDLFTJJF-CYBMUJFWSA-N 2 1 287.404 -0.031 20 0 CBADMP CN(CCCO)CC1(C[N@@H+](C)CCCO)COC1 ZINC000440943272 354257875 /nfs/dbraw/zinc/25/78/75/354257875.db2.gz HUAKRMFQMPZXAG-UHFFFAOYSA-N 2 1 260.378 -0.369 20 0 CBADMP C[NH+](CCCO)CC1(C[N@H+](C)CCCO)COC1 ZINC000440943272 354257877 /nfs/dbraw/zinc/25/78/77/354257877.db2.gz HUAKRMFQMPZXAG-UHFFFAOYSA-N 2 1 260.378 -0.369 20 0 CBADMP C[NH+](CCCO)CC1(C[N@@H+](C)CCCO)COC1 ZINC000440943272 354257878 /nfs/dbraw/zinc/25/78/78/354257878.db2.gz HUAKRMFQMPZXAG-UHFFFAOYSA-N 2 1 260.378 -0.369 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000444165321 354262086 /nfs/dbraw/zinc/26/20/86/354262086.db2.gz GMDWGOFNCGRLMS-SDDRHHMPSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000444165321 354262088 /nfs/dbraw/zinc/26/20/88/354262088.db2.gz GMDWGOFNCGRLMS-SDDRHHMPSA-N 2 1 255.362 -0.348 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000424218080 354219181 /nfs/dbraw/zinc/21/91/81/354219181.db2.gz QKKJAKDNLQYJQY-GFCCVEGCSA-N 2 1 285.388 -0.456 20 0 CBADMP c1cn([C@@H]2CCC[N@H+](CCN3CC[NH2+]CC3)C2)nn1 ZINC000424329507 354222434 /nfs/dbraw/zinc/22/24/34/354222434.db2.gz GPTDYBXYOQDXED-CYBMUJFWSA-N 2 1 264.377 -0.180 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000446363758 354286601 /nfs/dbraw/zinc/28/66/01/354286601.db2.gz OAMZYISDLZVZPQ-UTUOFQBUSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000446363758 354286603 /nfs/dbraw/zinc/28/66/03/354286603.db2.gz OAMZYISDLZVZPQ-UTUOFQBUSA-N 2 1 255.362 -0.491 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446366365 354286915 /nfs/dbraw/zinc/28/69/15/354286915.db2.gz IPYUHSVCSXSBNR-AXFHLTTASA-N 2 1 286.351 -0.858 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCC[NH3+])C[C@H]1C ZINC000423905275 291025624 /nfs/dbraw/zinc/02/56/24/291025624.db2.gz YYPQKEBKPRVNBG-LLVKDONJSA-N 2 1 271.361 -0.179 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)CCC[NH3+])C[C@H]1C ZINC000423905275 291025628 /nfs/dbraw/zinc/02/56/28/291025628.db2.gz YYPQKEBKPRVNBG-LLVKDONJSA-N 2 1 271.361 -0.179 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)C[C@H](C[NH3+])OC)CC1 ZINC000447442732 354298677 /nfs/dbraw/zinc/29/86/77/354298677.db2.gz TWVJZCNJZMTINW-CYBMUJFWSA-N 2 1 286.420 -0.506 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000454427820 354356080 /nfs/dbraw/zinc/35/60/80/354356080.db2.gz GFGSXEKCUPYPAI-QWHCGFSZSA-N 2 1 284.404 -0.090 20 0 CBADMP COCC[NH+](C)CCNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454427820 354356083 /nfs/dbraw/zinc/35/60/83/354356083.db2.gz GFGSXEKCUPYPAI-QWHCGFSZSA-N 2 1 284.404 -0.090 20 0 CBADMP COCC[NH+](C)CCNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000454427820 354356085 /nfs/dbraw/zinc/35/60/85/354356085.db2.gz GFGSXEKCUPYPAI-QWHCGFSZSA-N 2 1 284.404 -0.090 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)C[NH+]1CCOCC1 ZINC000449339975 354319641 /nfs/dbraw/zinc/31/96/41/354319641.db2.gz ZTUHJQVJQBBERD-YNEHKIRRSA-N 2 1 269.389 -0.074 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000449349088 354320208 /nfs/dbraw/zinc/32/02/08/354320208.db2.gz ONVQJWWUMYFPCP-FVCCEPFGSA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000449349088 354320211 /nfs/dbraw/zinc/32/02/11/354320211.db2.gz ONVQJWWUMYFPCP-FVCCEPFGSA-N 2 1 269.389 -0.245 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449694600 354321914 /nfs/dbraw/zinc/32/19/14/354321914.db2.gz HESYVUWBMHMJAG-STQMWFEESA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@@H](CNC(=O)NCC[N@H+]1CCCOCC1)[NH+](C)C ZINC000455004033 354358086 /nfs/dbraw/zinc/35/80/86/354358086.db2.gz OLFMVUGBEWVRMZ-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C[C@@H]1C[C@@H](O)C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000452067075 354346249 /nfs/dbraw/zinc/34/62/49/354346249.db2.gz HGOOVOVLWZTXCY-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1C[C@@H](O)C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000452067075 354346251 /nfs/dbraw/zinc/34/62/51/354346251.db2.gz HGOOVOVLWZTXCY-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000423859863 291026729 /nfs/dbraw/zinc/02/67/29/291026729.db2.gz KGMNFPLMVHAYNM-QWRGUYRKSA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000423859863 291026730 /nfs/dbraw/zinc/02/67/30/291026730.db2.gz KGMNFPLMVHAYNM-QWRGUYRKSA-N 2 1 271.361 -0.323 20 0 CBADMP C[C@@H]1CN(CCO)CCN1C(=O)NCC[N@@H+](C)C1CC1 ZINC000458394998 354376575 /nfs/dbraw/zinc/37/65/75/354376575.db2.gz VOGBEXPXTUMPNO-GFCCVEGCSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC[NH+](C)C1CC1 ZINC000458394998 354376576 /nfs/dbraw/zinc/37/65/76/354376576.db2.gz VOGBEXPXTUMPNO-GFCCVEGCSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC[NH+](C)C1CC1 ZINC000458394998 354376577 /nfs/dbraw/zinc/37/65/77/354376577.db2.gz VOGBEXPXTUMPNO-GFCCVEGCSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NCC[N@@H+](C)C1CC1 ZINC000458394998 354376579 /nfs/dbraw/zinc/37/65/79/354376579.db2.gz VOGBEXPXTUMPNO-GFCCVEGCSA-N 2 1 284.404 -0.211 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000459893454 354392192 /nfs/dbraw/zinc/39/21/92/354392192.db2.gz GTAGQXZLXYRZTO-UHFFFAOYSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N(C)CC[NH+](C)C ZINC000459902592 354392981 /nfs/dbraw/zinc/39/29/81/354392981.db2.gz VZLNMZPPWCTDGV-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000479291682 354407094 /nfs/dbraw/zinc/40/70/94/354407094.db2.gz ZIYYYVWMOKTMAR-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)CC[N@@H+]1CCO ZINC000492750018 354479774 /nfs/dbraw/zinc/47/97/74/354479774.db2.gz IEABRDOPNYGZEI-ZYOFXKKJSA-N 2 1 255.362 -0.371 20 0 CBADMP C[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)CC[N@H+]1CCO ZINC000492750018 354479780 /nfs/dbraw/zinc/47/97/80/354479780.db2.gz IEABRDOPNYGZEI-ZYOFXKKJSA-N 2 1 255.362 -0.371 20 0 CBADMP COC(=O)N1CCC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000495404882 354504518 /nfs/dbraw/zinc/50/45/18/354504518.db2.gz WPDFXVYYWRKOAD-ZDUSSCGKSA-N 2 1 271.361 -0.127 20 0 CBADMP COC(=O)N1CCC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000495404882 354504524 /nfs/dbraw/zinc/50/45/24/354504524.db2.gz WPDFXVYYWRKOAD-ZDUSSCGKSA-N 2 1 271.361 -0.127 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000515402581 354555737 /nfs/dbraw/zinc/55/57/37/354555737.db2.gz FHIXNQINZWIJQH-YJQGPUDQSA-N 2 1 250.346 -0.260 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000519543819 354562426 /nfs/dbraw/zinc/56/24/26/354562426.db2.gz NFVMNULNTQGVJG-QWHCGFSZSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000520409788 354566871 /nfs/dbraw/zinc/56/68/71/354566871.db2.gz XBLQHNUVIRWIML-SRVKXCTJSA-N 2 1 256.394 -0.136 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529308283 354583394 /nfs/dbraw/zinc/58/33/94/354583394.db2.gz DTYYGTXDCQIXSE-LLVKDONJSA-N 2 1 270.377 -0.112 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000529311276 354583508 /nfs/dbraw/zinc/58/35/08/354583508.db2.gz DHORVBCPQDZFGQ-GRYCIOLGSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000529311279 354584014 /nfs/dbraw/zinc/58/40/14/354584014.db2.gz DHORVBCPQDZFGQ-WOPDTQHZSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529320580 354584810 /nfs/dbraw/zinc/58/48/10/354584810.db2.gz YNEUFSYVELSWBW-WZRBSPASSA-N 2 1 282.388 -0.243 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+]1CCCC1 ZINC000534268706 354596460 /nfs/dbraw/zinc/59/64/60/354596460.db2.gz UJRIBIUTYPJBIJ-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP C[N@@H+](CCNC(=O)NC[C@]1(O)CC[NH+](C)C1)C1CC1 ZINC000545176369 354643805 /nfs/dbraw/zinc/64/38/05/354643805.db2.gz CYOJVKDUFSQFJO-CYBMUJFWSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+](CCNC(=O)NC[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000545176369 354643807 /nfs/dbraw/zinc/64/38/07/354643807.db2.gz CYOJVKDUFSQFJO-CYBMUJFWSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+](CCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000545176369 354643808 /nfs/dbraw/zinc/64/38/08/354643808.db2.gz CYOJVKDUFSQFJO-CYBMUJFWSA-N 2 1 270.377 -0.554 20 0 CBADMP C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000537599267 354611101 /nfs/dbraw/zinc/61/11/01/354611101.db2.gz LRURAAHKWWWLND-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000537599267 354611103 /nfs/dbraw/zinc/61/11/03/354611103.db2.gz LRURAAHKWWWLND-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000537599267 354611106 /nfs/dbraw/zinc/61/11/06/354611106.db2.gz LRURAAHKWWWLND-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000430695276 283041929 /nfs/dbraw/zinc/04/19/29/283041929.db2.gz MPAKNIYRVWKMMR-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000557242092 354686172 /nfs/dbraw/zinc/68/61/72/354686172.db2.gz ZWVRGSMTOWWWKY-KBPBESRZSA-N 2 1 297.447 -0.127 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000562795070 354688432 /nfs/dbraw/zinc/68/84/32/354688432.db2.gz YXILZUNAFIYZAA-IGQOVBAYSA-N 2 1 296.415 -0.140 20 0 CBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000562957623 354690043 /nfs/dbraw/zinc/69/00/43/354690043.db2.gz LIUZTNRKDRAIAO-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCc2nnnn2CC1)C1CC1 ZINC000563008132 354691933 /nfs/dbraw/zinc/69/19/33/354691933.db2.gz SCEOIKWQAJPKLS-PWSUYJOCSA-N 2 1 280.376 -0.577 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCc2nnnn2CC1)C1CC1 ZINC000563008132 354691934 /nfs/dbraw/zinc/69/19/34/354691934.db2.gz SCEOIKWQAJPKLS-PWSUYJOCSA-N 2 1 280.376 -0.577 20 0 CBADMP CO[C@@H]1COC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000563084323 354695049 /nfs/dbraw/zinc/69/50/49/354695049.db2.gz BGFHUGLFJJFITR-VXGBXAGGSA-N 2 1 271.361 -0.846 20 0 CBADMP C[N@@H+](C[C@@H](O)CNC[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000563137263 354698477 /nfs/dbraw/zinc/69/84/77/354698477.db2.gz COLMGTXCXCXZCM-LSDHHAIUSA-N 2 1 285.432 -0.122 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000563154628 354699670 /nfs/dbraw/zinc/69/96/70/354699670.db2.gz RKBOZVRUBVOKSS-NWDGAFQWSA-N 2 1 280.372 -0.140 20 0 CBADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CC[NH2+]CC1 ZINC000563150015 354699909 /nfs/dbraw/zinc/69/99/09/354699909.db2.gz SYUMLXOSPCEQAK-STQMWFEESA-N 3 1 266.389 -0.508 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CC[NH2+]CC1 ZINC000563150015 354699912 /nfs/dbraw/zinc/69/99/12/354699912.db2.gz SYUMLXOSPCEQAK-STQMWFEESA-N 3 1 266.389 -0.508 20 0 CBADMP COC[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000563882153 354706977 /nfs/dbraw/zinc/70/69/77/354706977.db2.gz YGUQCPNWLHODML-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000563882153 354706979 /nfs/dbraw/zinc/70/69/79/354706979.db2.gz YGUQCPNWLHODML-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@]1(F)CNCC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000564453411 354712874 /nfs/dbraw/zinc/71/28/74/354712874.db2.gz NFOTXZIWXKNCOP-GXTWGEPZSA-N 2 1 286.395 -0.183 20 0 CBADMP C[C@@]1(F)CNCC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000564453411 354712875 /nfs/dbraw/zinc/71/28/75/354712875.db2.gz NFOTXZIWXKNCOP-GXTWGEPZSA-N 2 1 286.395 -0.183 20 0 CBADMP C[C@H](C(=O)N(C)[C@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000564656959 354714410 /nfs/dbraw/zinc/71/44/10/354714410.db2.gz OYIVHMKFMYTSNF-NEPJUHHUSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000564798908 354717416 /nfs/dbraw/zinc/71/74/16/354717416.db2.gz AANAKAMOGZWTLE-VHSXEESVSA-N 2 1 270.377 -0.561 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000564969463 354722734 /nfs/dbraw/zinc/72/27/34/354722734.db2.gz XUSUXRPVRRQZHQ-QWHCGFSZSA-N 3 1 268.405 -0.227 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CC[NH2+]C[C@@H]2C(F)F)CC1 ZINC000564986291 354724004 /nfs/dbraw/zinc/72/40/04/354724004.db2.gz LGYKRXLXTYGBTJ-LLVKDONJSA-N 2 1 290.358 -0.311 20 0 CBADMP COC[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000564988641 354724716 /nfs/dbraw/zinc/72/47/16/354724716.db2.gz KQDYJCKYGLVODN-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CN1CCN(C(=O)CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000564986663 354724863 /nfs/dbraw/zinc/72/48/63/354724863.db2.gz BTSOWMQTJRNGAE-ZIAGYGMSSA-N 2 1 280.416 -0.308 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000564986663 354724866 /nfs/dbraw/zinc/72/48/66/354724866.db2.gz BTSOWMQTJRNGAE-ZIAGYGMSSA-N 2 1 280.416 -0.308 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000564993558 354725026 /nfs/dbraw/zinc/72/50/26/354725026.db2.gz DHJHWYCZLYLDBP-BETUJISGSA-N 2 1 268.405 -0.180 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C2CC2)C1 ZINC000565038994 354726528 /nfs/dbraw/zinc/72/65/28/354726528.db2.gz YDELJXMKFAIGFD-GFCCVEGCSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C2CC2)C1 ZINC000565038994 354726531 /nfs/dbraw/zinc/72/65/31/354726531.db2.gz YDELJXMKFAIGFD-GFCCVEGCSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000565040795 354726577 /nfs/dbraw/zinc/72/65/77/354726577.db2.gz XVWFWDALVORDQE-QWHCGFSZSA-N 2 1 296.415 -0.297 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000565154951 354729443 /nfs/dbraw/zinc/72/94/43/354729443.db2.gz CVRIETZLRHMXEA-UONOGXRCSA-N 2 1 290.404 -0.697 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000565154951 354729446 /nfs/dbraw/zinc/72/94/46/354729446.db2.gz CVRIETZLRHMXEA-UONOGXRCSA-N 2 1 290.404 -0.697 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000565930931 354748513 /nfs/dbraw/zinc/74/85/13/354748513.db2.gz ZXGXOLUJJDKILU-HUUCEWRRSA-N 2 1 285.432 -0.047 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000565999386 354749552 /nfs/dbraw/zinc/74/95/52/354749552.db2.gz OISOUJBXYMSKCM-MJBXVCDLSA-N 2 1 296.415 -0.042 20 0 CBADMP CC[NH2+]CCCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000566010444 354751024 /nfs/dbraw/zinc/75/10/24/354751024.db2.gz WMYSJYGDPIXPNT-LBPRGKRZSA-N 2 1 256.394 -0.262 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000566192611 354756080 /nfs/dbraw/zinc/75/60/80/354756080.db2.gz OXHOWYHZCBPTQV-SDDRHHMPSA-N 2 1 299.419 -0.249 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)C1CCOCC1)C1CC1 ZINC000566235731 354759214 /nfs/dbraw/zinc/75/92/14/354759214.db2.gz VLEWHHASXFLQEB-ZIAGYGMSSA-N 2 1 272.389 -0.181 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)C1CCOCC1)C1CC1 ZINC000566235731 354759217 /nfs/dbraw/zinc/75/92/17/354759217.db2.gz VLEWHHASXFLQEB-ZIAGYGMSSA-N 2 1 272.389 -0.181 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000566287171 354761441 /nfs/dbraw/zinc/76/14/41/354761441.db2.gz YXBWTOHSYQYIGE-ZJUUUORDSA-N 2 1 257.334 -0.665 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C1(CO)CCOCC1 ZINC000566416744 354765144 /nfs/dbraw/zinc/76/51/44/354765144.db2.gz SUDZZHFLKNSCQA-LBPRGKRZSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1(CO)CCOCC1 ZINC000566416744 354765145 /nfs/dbraw/zinc/76/51/45/354765145.db2.gz SUDZZHFLKNSCQA-LBPRGKRZSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C1(CO)CCOCC1 ZINC000566416744 354765147 /nfs/dbraw/zinc/76/51/47/354765147.db2.gz SUDZZHFLKNSCQA-LBPRGKRZSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1(CO)CCOCC1 ZINC000566416744 354765148 /nfs/dbraw/zinc/76/51/48/354765148.db2.gz SUDZZHFLKNSCQA-LBPRGKRZSA-N 2 1 260.378 -0.228 20 0 CBADMP C[NH+](C)[C@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H]1O ZINC000566426185 354766712 /nfs/dbraw/zinc/76/67/12/354766712.db2.gz PEZJSGXWHVLSCV-AGIUHOORSA-N 2 1 257.378 -0.952 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000566559785 354770540 /nfs/dbraw/zinc/77/05/40/354770540.db2.gz XIENKTBMLFBCFP-NEPJUHHUSA-N 2 1 283.372 -0.036 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000566864346 354776231 /nfs/dbraw/zinc/77/62/31/354776231.db2.gz BTIOMUWWSRAWTE-UWVGGRQHSA-N 2 1 268.361 -0.937 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000567262422 354784264 /nfs/dbraw/zinc/78/42/64/354784264.db2.gz OAOXPKWFCHJEGB-HUUCEWRRSA-N 2 1 286.464 -0.085 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000567470282 354788546 /nfs/dbraw/zinc/78/85/46/354788546.db2.gz YTNLJNUSQWVSKB-MRVPVSSYSA-N 2 1 288.302 -0.646 20 0 CBADMP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000565312055 354736307 /nfs/dbraw/zinc/73/63/07/354736307.db2.gz NWAKEROLHBFKBL-HZSPNIEDSA-N 2 1 290.404 -0.291 20 0 CBADMP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000565312055 354736312 /nfs/dbraw/zinc/73/63/12/354736312.db2.gz NWAKEROLHBFKBL-HZSPNIEDSA-N 2 1 290.404 -0.291 20 0 CBADMP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000565429715 354737944 /nfs/dbraw/zinc/73/79/44/354737944.db2.gz HKTFLJFSKHWXJC-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000565429715 354737949 /nfs/dbraw/zinc/73/79/49/354737949.db2.gz HKTFLJFSKHWXJC-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC000565429715 354737953 /nfs/dbraw/zinc/73/79/53/354737953.db2.gz HKTFLJFSKHWXJC-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC000565429715 354737959 /nfs/dbraw/zinc/73/79/59/354737959.db2.gz HKTFLJFSKHWXJC-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000565429715 354737961 /nfs/dbraw/zinc/73/79/61/354737961.db2.gz HKTFLJFSKHWXJC-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000565429715 354737966 /nfs/dbraw/zinc/73/79/66/354737966.db2.gz HKTFLJFSKHWXJC-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000567805586 354798168 /nfs/dbraw/zinc/79/81/68/354798168.db2.gz NBYGGFLTZURRRJ-JTQLQIEISA-N 2 1 266.349 -0.597 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000567805586 354798170 /nfs/dbraw/zinc/79/81/70/354798170.db2.gz NBYGGFLTZURRRJ-JTQLQIEISA-N 2 1 266.349 -0.597 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000567825264 354799988 /nfs/dbraw/zinc/79/99/88/354799988.db2.gz GQSMQONQWPKMCT-GFCCVEGCSA-N 2 1 255.362 -0.176 20 0 CBADMP Cn1cc(C[C@@H](CO)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cn1 ZINC000567874709 354802530 /nfs/dbraw/zinc/80/25/30/354802530.db2.gz UKFPOTQQYDTIOQ-UKRRQHHQSA-N 2 1 296.415 -0.384 20 0 CBADMP Cn1cc(C[C@@H](CO)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000567874709 354802532 /nfs/dbraw/zinc/80/25/32/354802532.db2.gz UKFPOTQQYDTIOQ-UKRRQHHQSA-N 2 1 296.415 -0.384 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000567889712 354803585 /nfs/dbraw/zinc/80/35/85/354803585.db2.gz LZMOKDREFHEORF-AWEZNQCLSA-N 2 1 268.405 -0.179 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000567889712 354803586 /nfs/dbraw/zinc/80/35/86/354803586.db2.gz LZMOKDREFHEORF-AWEZNQCLSA-N 3 1 268.405 -0.179 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000567889712 354803589 /nfs/dbraw/zinc/80/35/89/354803589.db2.gz LZMOKDREFHEORF-AWEZNQCLSA-N 3 1 268.405 -0.179 20 0 CBADMP C[NH2+]CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000567900144 354804372 /nfs/dbraw/zinc/80/43/72/354804372.db2.gz SUONXUCEEYCKQR-LBPRGKRZSA-N 3 1 256.394 -0.085 20 0 CBADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000567900144 354804376 /nfs/dbraw/zinc/80/43/76/354804376.db2.gz SUONXUCEEYCKQR-LBPRGKRZSA-N 3 1 256.394 -0.085 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000567983160 354807000 /nfs/dbraw/zinc/80/70/00/354807000.db2.gz VLRIOSXZZKIEPP-AAEUAGOBSA-N 2 1 284.404 -0.456 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000568086156 354810582 /nfs/dbraw/zinc/81/05/82/354810582.db2.gz GKLNEPGZWUOCFK-NSHDSACASA-N 2 1 293.323 -0.003 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000568181500 354814455 /nfs/dbraw/zinc/81/44/55/354814455.db2.gz VCTWAMRVPOSFPQ-RRFJBIMHSA-N 2 1 285.432 -0.049 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000568181500 354814456 /nfs/dbraw/zinc/81/44/56/354814456.db2.gz VCTWAMRVPOSFPQ-RRFJBIMHSA-N 2 1 285.432 -0.049 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000568181500 354814458 /nfs/dbraw/zinc/81/44/58/354814458.db2.gz VCTWAMRVPOSFPQ-RRFJBIMHSA-N 2 1 285.432 -0.049 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000568293783 354821187 /nfs/dbraw/zinc/82/11/87/354821187.db2.gz FGEWMKMBLKGORG-NSHDSACASA-N 2 1 280.372 -0.839 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568296068 354821327 /nfs/dbraw/zinc/82/13/27/354821327.db2.gz YICVVANITBOGQS-IJLUTSLNSA-N 2 1 295.387 -0.966 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000568741442 354830630 /nfs/dbraw/zinc/83/06/30/354830630.db2.gz VAIBSKGEAUEWOX-JFGNBEQYSA-N 2 1 256.346 -0.017 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000568741442 354830634 /nfs/dbraw/zinc/83/06/34/354830634.db2.gz VAIBSKGEAUEWOX-JFGNBEQYSA-N 2 1 256.346 -0.017 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000568741445 354831147 /nfs/dbraw/zinc/83/11/47/354831147.db2.gz VAIBSKGEAUEWOX-UMNHJUIQSA-N 2 1 256.346 -0.017 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000568741445 354831151 /nfs/dbraw/zinc/83/11/51/354831151.db2.gz VAIBSKGEAUEWOX-UMNHJUIQSA-N 2 1 256.346 -0.017 20 0 CBADMP C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000567711017 354794284 /nfs/dbraw/zinc/79/42/84/354794284.db2.gz XNYPIWFSLKGQPA-ZFWWWQNUSA-N 2 1 283.416 -0.081 20 0 CBADMP C[C@H]([NH3+])C1CC[NH+](CCC(=O)N2CCNCC2)CC1 ZINC000568884666 354835255 /nfs/dbraw/zinc/83/52/55/354835255.db2.gz UHMBAODJJNPYCG-LBPRGKRZSA-N 2 1 268.405 -0.133 20 0 CBADMP COC(=O)C(C)(C)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569260944 354841851 /nfs/dbraw/zinc/84/18/51/354841851.db2.gz WWYLVFANUYPUFK-WDEREUQCSA-N 2 1 283.372 -0.181 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000569844848 354848288 /nfs/dbraw/zinc/84/82/88/354848288.db2.gz BVAFHRZNSLBNNL-CHWSQXEVSA-N 2 1 296.415 -0.003 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000571778477 354879919 /nfs/dbraw/zinc/87/99/19/354879919.db2.gz LBJSBZXKNYVRHB-AAEUAGOBSA-N 2 1 292.387 -0.207 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000571762756 354878737 /nfs/dbraw/zinc/87/87/37/354878737.db2.gz KUBREEMTWORYFJ-STQMWFEESA-N 3 1 268.405 -0.227 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000570291311 354858858 /nfs/dbraw/zinc/85/88/58/354858858.db2.gz AWTRJZSBMBUJQS-JQWIXIFHSA-N 2 1 293.371 -0.578 20 0 CBADMP CN(C)C(=O)[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1 ZINC000570332975 354859636 /nfs/dbraw/zinc/85/96/36/354859636.db2.gz FUJAZFANRMJHGV-LBPRGKRZSA-N 2 1 254.378 -0.652 20 0 CBADMP CNS(=O)(=O)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000570632619 354865635 /nfs/dbraw/zinc/86/56/35/354865635.db2.gz UXKPXZDDUZMSFU-LBPRGKRZSA-N 2 1 275.418 0.000 20 0 CBADMP CN1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)[C@@H](C[NH3+])C1 ZINC000572134355 354887089 /nfs/dbraw/zinc/88/70/89/354887089.db2.gz HCCZGQYZFGFYDZ-RYUDHWBXSA-N 2 1 269.393 -0.635 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C[C@H](C)O)C[C@H]1C ZINC000572254789 354889069 /nfs/dbraw/zinc/88/90/69/354889069.db2.gz ZGKSXKMKRCQTNS-RDBSUJKOSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000572254789 354889070 /nfs/dbraw/zinc/88/90/70/354889070.db2.gz ZGKSXKMKRCQTNS-RDBSUJKOSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000572254789 354889074 /nfs/dbraw/zinc/88/90/74/354889074.db2.gz ZGKSXKMKRCQTNS-RDBSUJKOSA-N 2 1 273.421 -0.314 20 0 CBADMP C[NH2+][C@@H](C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000572256529 354890416 /nfs/dbraw/zinc/89/04/16/354890416.db2.gz OORQZQFBOBPFLI-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N(C)CCC[NH3+] ZINC000572824795 354898801 /nfs/dbraw/zinc/89/88/01/354898801.db2.gz XAGRMLNFVHBKAO-UHFFFAOYSA-N 2 1 260.382 -0.055 20 0 CBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)[C@@H]2C1 ZINC000572869822 354899709 /nfs/dbraw/zinc/89/97/09/354899709.db2.gz RYSOGESUJZRILB-NMKXLXIOSA-N 2 1 265.357 -0.330 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000572883127 354900185 /nfs/dbraw/zinc/90/01/85/354900185.db2.gz AXOXYMVCBLEADN-TXEJJXNPSA-N 2 1 255.362 -0.096 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)COC1CCC([NH3+])CC1 ZINC000572959488 354900736 /nfs/dbraw/zinc/90/07/36/354900736.db2.gz RFBNFDXOUZFKSI-UHFFFAOYSA-N 2 1 265.304 -0.017 20 0 CBADMP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000573075193 354904187 /nfs/dbraw/zinc/90/41/87/354904187.db2.gz NDOFPTVPUAOSIZ-OLZOCXBDSA-N 2 1 294.399 -0.449 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000573340013 354911051 /nfs/dbraw/zinc/91/10/51/354911051.db2.gz DBIKRYWUOUIEMZ-XQQFMLRXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H](C(=O)N(C)C1CC([NH3+])C1)N1CC[NH+](C)CC1 ZINC000573610278 354917939 /nfs/dbraw/zinc/91/79/39/354917939.db2.gz IZECLLRSJZDNMW-UNXYVOJBSA-N 2 1 254.378 -0.430 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000573362541 354911427 /nfs/dbraw/zinc/91/14/27/354911427.db2.gz HPDONYYMWOQKLP-NSHDSACASA-N 2 1 254.378 -0.523 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000573504384 354913935 /nfs/dbraw/zinc/91/39/35/354913935.db2.gz ZKJSSVBAUVCBSS-MJBXVCDLSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000573504384 354913938 /nfs/dbraw/zinc/91/39/38/354913938.db2.gz ZKJSSVBAUVCBSS-MJBXVCDLSA-N 2 1 273.421 -0.314 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000573564740 354915024 /nfs/dbraw/zinc/91/50/24/354915024.db2.gz NAOZQLPBYJAAGI-AWEZNQCLSA-N 3 1 297.447 -0.789 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000573564740 354915026 /nfs/dbraw/zinc/91/50/26/354915026.db2.gz NAOZQLPBYJAAGI-AWEZNQCLSA-N 2 1 297.447 -0.789 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000571778655 354879974 /nfs/dbraw/zinc/87/99/74/354879974.db2.gz PTTKCVVWCHWARS-NEPJUHHUSA-N 2 1 282.388 -0.687 20 0 CBADMP CN1CC[C@@H]([N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)C1=O ZINC000571802540 354881342 /nfs/dbraw/zinc/88/13/42/354881342.db2.gz WFBBNXPDXHCVHA-VXGBXAGGSA-N 2 1 280.372 -0.887 20 0 CBADMP CN1CC[C@@H]([N@H+]2CCC[C@@H](N3CCNCC3=O)C2)C1=O ZINC000571802540 354881346 /nfs/dbraw/zinc/88/13/46/354881346.db2.gz WFBBNXPDXHCVHA-VXGBXAGGSA-N 2 1 280.372 -0.887 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000573724099 354920123 /nfs/dbraw/zinc/92/01/23/354920123.db2.gz QJQNVIPDWCXUPC-NWDGAFQWSA-N 2 1 254.378 -0.510 20 0 CBADMP COCC[N@H+](C)C[C@H](O)CN(C)CC(C)(C)CO ZINC000573860044 354922643 /nfs/dbraw/zinc/92/26/43/354922643.db2.gz KDJKYOSFYBEYDC-LBPRGKRZSA-N 2 1 262.394 -0.124 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C)CC(C)(C)CO ZINC000573860044 354922644 /nfs/dbraw/zinc/92/26/44/354922644.db2.gz KDJKYOSFYBEYDC-LBPRGKRZSA-N 2 1 262.394 -0.124 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)[C@H]2C1 ZINC000331515037 283062820 /nfs/dbraw/zinc/06/28/20/283062820.db2.gz MBOLVYSJCGFOCI-UPJWGTAASA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000331995312 283062830 /nfs/dbraw/zinc/06/28/30/283062830.db2.gz BHSRVGKAWONGHD-AGIUHOORSA-N 2 1 294.399 -0.593 20 0 CBADMP O=C(NC1C[NH2+]C1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000574181175 354930468 /nfs/dbraw/zinc/93/04/68/354930468.db2.gz SHWKAPFTYKTZBA-UHFFFAOYSA-N 2 1 294.399 -0.449 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000575138776 354934061 /nfs/dbraw/zinc/93/40/61/354934061.db2.gz MLBZBYABJFVJJB-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP CN(C)c1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc[nH+]1 ZINC000578206353 354940960 /nfs/dbraw/zinc/94/09/60/354940960.db2.gz PTJZTHHHPQMYRO-NXEZZACHSA-N 2 1 276.344 -0.709 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000578336051 354943682 /nfs/dbraw/zinc/94/36/82/354943682.db2.gz CLUCRWHCDQKQGJ-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000578336051 354943686 /nfs/dbraw/zinc/94/36/86/354943686.db2.gz CLUCRWHCDQKQGJ-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000578551645 354949713 /nfs/dbraw/zinc/94/97/13/354949713.db2.gz BRIXSLHVCYWTRZ-MNOVXSKESA-N 2 1 256.350 -0.944 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000578551645 354949714 /nfs/dbraw/zinc/94/97/14/354949714.db2.gz BRIXSLHVCYWTRZ-MNOVXSKESA-N 2 1 256.350 -0.944 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)COC2C[NH2+]C2)C1 ZINC000578627951 354950477 /nfs/dbraw/zinc/95/04/77/354950477.db2.gz SRYNVPNWEBBSND-WCQYABFASA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000578670667 354952629 /nfs/dbraw/zinc/95/26/29/354952629.db2.gz VNAMQLIKFBFFGC-TUAOUCFPSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000578670667 354952633 /nfs/dbraw/zinc/95/26/33/354952633.db2.gz VNAMQLIKFBFFGC-TUAOUCFPSA-N 2 1 282.388 -0.594 20 0 CBADMP CCN(C)C(=O)CC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000578771160 354954773 /nfs/dbraw/zinc/95/47/73/354954773.db2.gz VVIFCBMOQKLWGJ-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CCOCC[NH+]1CCN(C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000578830302 354955483 /nfs/dbraw/zinc/95/54/83/354955483.db2.gz KXTMJUSMPXVQRW-AWEZNQCLSA-N 2 1 273.421 -0.047 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H](C(N)=O)C1)C1CC1 ZINC000578859055 354956226 /nfs/dbraw/zinc/95/62/26/354956226.db2.gz GIZWXRQXYJFWNA-HOSYDEDBSA-N 2 1 255.362 -0.315 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H](C(N)=O)C1)C1CC1 ZINC000578859055 354956231 /nfs/dbraw/zinc/95/62/31/354956231.db2.gz GIZWXRQXYJFWNA-HOSYDEDBSA-N 2 1 255.362 -0.315 20 0 CBADMP CO[C@H]1CCN(CCC(=O)N2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000578867978 354956579 /nfs/dbraw/zinc/95/65/79/354956579.db2.gz JWEXCIQSSSISQJ-KBPBESRZSA-N 3 1 298.431 -0.411 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)[C@@H]2C1 ZINC000579105934 354962283 /nfs/dbraw/zinc/96/22/83/354962283.db2.gz KEBFAMPCMXKVPV-FRRDWIJNSA-N 2 1 294.399 -0.593 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000579813969 354979737 /nfs/dbraw/zinc/97/97/37/354979737.db2.gz BZBNOBITUOYCSM-UHFFFAOYSA-N 2 1 296.415 -0.130 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CCO)[C@@H](C)C1 ZINC000579854654 354982439 /nfs/dbraw/zinc/98/24/39/354982439.db2.gz HPUGAPUUDKFKCR-STQMWFEESA-N 2 1 259.394 -0.703 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000579854654 354982442 /nfs/dbraw/zinc/98/24/42/354982442.db2.gz HPUGAPUUDKFKCR-STQMWFEESA-N 2 1 259.394 -0.703 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000579968470 354985331 /nfs/dbraw/zinc/98/53/31/354985331.db2.gz AJUCQXHJSJNKRL-RDBSUJKOSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000579968470 354985333 /nfs/dbraw/zinc/98/53/33/354985333.db2.gz AJUCQXHJSJNKRL-RDBSUJKOSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000579968470 354985336 /nfs/dbraw/zinc/98/53/36/354985336.db2.gz AJUCQXHJSJNKRL-RDBSUJKOSA-N 2 1 273.421 -0.050 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000580098024 354989012 /nfs/dbraw/zinc/98/90/12/354989012.db2.gz WTZBHCZQZJRXMY-RWMBFGLXSA-N 2 1 294.399 -0.593 20 0 CBADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000580329017 354993539 /nfs/dbraw/zinc/99/35/39/354993539.db2.gz VWXJVPSTKBUIEK-GWCFXTLKSA-N 2 1 279.340 -0.119 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000580784323 354998552 /nfs/dbraw/zinc/99/85/52/354998552.db2.gz UPDKSAVMQGVKKM-AWEZNQCLSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000584839042 355039843 /nfs/dbraw/zinc/03/98/43/355039843.db2.gz CRJLGLYRHLDWHY-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000584839830 355040077 /nfs/dbraw/zinc/04/00/77/355040077.db2.gz JJFZBIOQTRCUHA-NEPJUHHUSA-N 2 1 275.418 -0.143 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000584839830 355040079 /nfs/dbraw/zinc/04/00/79/355040079.db2.gz JJFZBIOQTRCUHA-NEPJUHHUSA-N 2 1 275.418 -0.143 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000581884271 355006678 /nfs/dbraw/zinc/00/66/78/355006678.db2.gz BWPYAOFFLLHMIT-OLZOCXBDSA-N 2 1 260.378 -0.324 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@H]3CCCOC3)CCN2C1=O ZINC000582073660 355007041 /nfs/dbraw/zinc/00/70/41/355007041.db2.gz LWDZHJZZJBPDQW-IJLUTSLNSA-N 2 1 253.346 -0.343 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000582171583 355009362 /nfs/dbraw/zinc/00/93/62/355009362.db2.gz UHXYSBCUZPCTPV-ZDUSSCGKSA-N 2 1 283.420 -0.374 20 0 CBADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000582291431 355012792 /nfs/dbraw/zinc/01/27/92/355012792.db2.gz XZTVARHMTJSVPG-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000583565403 355020205 /nfs/dbraw/zinc/02/02/05/355020205.db2.gz KFCQDXKIJQYSLK-NWDGAFQWSA-N 3 1 254.378 -0.523 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000583565403 355020211 /nfs/dbraw/zinc/02/02/11/355020211.db2.gz KFCQDXKIJQYSLK-NWDGAFQWSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000583565403 355020213 /nfs/dbraw/zinc/02/02/13/355020213.db2.gz KFCQDXKIJQYSLK-NWDGAFQWSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000583872464 355024421 /nfs/dbraw/zinc/02/44/21/355024421.db2.gz JXYRMNPUQUCUQU-QWHCGFSZSA-N 2 1 268.405 -0.180 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000583872464 355024425 /nfs/dbraw/zinc/02/44/25/355024425.db2.gz JXYRMNPUQUCUQU-QWHCGFSZSA-N 3 1 268.405 -0.180 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000583872464 355024429 /nfs/dbraw/zinc/02/44/29/355024429.db2.gz JXYRMNPUQUCUQU-QWHCGFSZSA-N 3 1 268.405 -0.180 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000592552622 355162538 /nfs/dbraw/zinc/16/25/38/355162538.db2.gz AMTIKAMPKUBRHT-HTQZYQBOSA-N 2 1 279.287 -0.668 20 0 CBADMP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000592553486 355162739 /nfs/dbraw/zinc/16/27/39/355162739.db2.gz VMEZQRNUWBPULY-IJLUTSLNSA-N 2 1 283.372 -0.310 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000592552625 355162869 /nfs/dbraw/zinc/16/28/69/355162869.db2.gz AMTIKAMPKUBRHT-YUMQZZPRSA-N 2 1 279.287 -0.668 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000592418990 355153078 /nfs/dbraw/zinc/15/30/78/355153078.db2.gz ATCXAUSJAWMKNQ-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP NC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492182 355158114 /nfs/dbraw/zinc/15/81/14/355158114.db2.gz USCZOBZLSOQNEY-WDEREUQCSA-N 2 1 268.361 -0.107 20 0 CBADMP NC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492180 355158318 /nfs/dbraw/zinc/15/83/18/355158318.db2.gz USCZOBZLSOQNEY-MNOVXSKESA-N 2 1 268.361 -0.107 20 0 CBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC000452980051 283082798 /nfs/dbraw/zinc/08/27/98/283082798.db2.gz VDNJWPARUORJKP-WOPDTQHZSA-N 2 1 253.346 -0.521 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC000452980051 283082803 /nfs/dbraw/zinc/08/28/03/283082803.db2.gz VDNJWPARUORJKP-WOPDTQHZSA-N 2 1 253.346 -0.521 20 0 CBADMP COC(=O)c1cn([C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)nn1 ZINC000592495586 355158468 /nfs/dbraw/zinc/15/84/68/355158468.db2.gz MOQSKUGIENLOAR-QWRGUYRKSA-N 2 1 279.344 -0.079 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC000452980051 283082807 /nfs/dbraw/zinc/08/28/07/283082807.db2.gz VDNJWPARUORJKP-WOPDTQHZSA-N 2 1 253.346 -0.521 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC000452980051 283082812 /nfs/dbraw/zinc/08/28/12/283082812.db2.gz VDNJWPARUORJKP-WOPDTQHZSA-N 2 1 253.346 -0.521 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592964078 355187332 /nfs/dbraw/zinc/18/73/32/355187332.db2.gz NXEOYQBTBFASBO-NSHDSACASA-N 2 1 271.361 -0.308 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC[C@H]1C(=O)OC ZINC000593997884 355233893 /nfs/dbraw/zinc/23/38/93/355233893.db2.gz CUQLZDRWFAWJDU-XQQFMLRXSA-N 2 1 288.388 -0.143 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC[C@H]1C(=O)OC ZINC000593997884 355233896 /nfs/dbraw/zinc/23/38/96/355233896.db2.gz CUQLZDRWFAWJDU-XQQFMLRXSA-N 2 1 288.388 -0.143 20 0 CBADMP COCC(C)(C)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594739787 355259274 /nfs/dbraw/zinc/25/92/74/355259274.db2.gz VEYLPKGODFFZFS-MNOVXSKESA-N 2 1 255.362 -0.097 20 0 CBADMP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000594918918 355269085 /nfs/dbraw/zinc/26/90/85/355269085.db2.gz CEOFLAWTDMNJJA-FRRDWIJNSA-N 2 1 297.399 -0.062 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2C[C@H](C[NH3+])C[C@@H]2C)C1=O ZINC000595890170 355314542 /nfs/dbraw/zinc/31/45/42/355314542.db2.gz YYXAJOKQXZPBSU-SRVKXCTJSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C1=O ZINC000595894376 355315600 /nfs/dbraw/zinc/31/56/00/355315600.db2.gz VBBAWMCLLLDIDT-SRVKXCTJSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C1=O ZINC000595894376 355315603 /nfs/dbraw/zinc/31/56/03/355315603.db2.gz VBBAWMCLLLDIDT-SRVKXCTJSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000595895748 355315628 /nfs/dbraw/zinc/31/56/28/355315628.db2.gz UKBZZVPXWRVOQM-FZMZJTMJSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000595895748 355315631 /nfs/dbraw/zinc/31/56/31/355315631.db2.gz UKBZZVPXWRVOQM-FZMZJTMJSA-N 2 1 283.372 -0.179 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C(=O)OC ZINC000595903730 355316740 /nfs/dbraw/zinc/31/67/40/355316740.db2.gz CUQLZDRWFAWJDU-FRRDWIJNSA-N 2 1 288.388 -0.143 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C(=O)OC ZINC000595903730 355316743 /nfs/dbraw/zinc/31/67/43/355316743.db2.gz CUQLZDRWFAWJDU-FRRDWIJNSA-N 2 1 288.388 -0.143 20 0 CBADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(=O)NC(N)=O)CCO1 ZINC000595904523 355317913 /nfs/dbraw/zinc/31/79/13/355317913.db2.gz FCZLKCSEFMGIDC-LLVKDONJSA-N 2 1 286.376 -0.386 20 0 CBADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC(=O)NC(N)=O)CCO1 ZINC000595904523 355317914 /nfs/dbraw/zinc/31/79/14/355317914.db2.gz FCZLKCSEFMGIDC-LLVKDONJSA-N 2 1 286.376 -0.386 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CC2([NH3+])CC2)C[C@@H]1C ZINC000595956282 355328095 /nfs/dbraw/zinc/32/80/95/355328095.db2.gz LUEOMYFHKVVQIB-NSHDSACASA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)CC2([NH3+])CC2)C[C@@H]1C ZINC000595956282 355328097 /nfs/dbraw/zinc/32/80/97/355328097.db2.gz LUEOMYFHKVVQIB-NSHDSACASA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@H](C)C1 ZINC000595955741 355328107 /nfs/dbraw/zinc/32/81/07/355328107.db2.gz HQLWDHBTMYFYCF-IJLUTSLNSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@H](C)C1 ZINC000595955741 355328111 /nfs/dbraw/zinc/32/81/11/355328111.db2.gz HQLWDHBTMYFYCF-IJLUTSLNSA-N 2 1 283.372 -0.181 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000595262846 355276465 /nfs/dbraw/zinc/27/64/65/355276465.db2.gz FOUQOPXRQCVEHA-TUAOUCFPSA-N 2 1 295.387 -0.966 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000595262844 355276685 /nfs/dbraw/zinc/27/66/85/355276685.db2.gz FOUQOPXRQCVEHA-SRVKXCTJSA-N 2 1 295.387 -0.966 20 0 CBADMP COC(=O)CCCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000600712029 355562240 /nfs/dbraw/zinc/56/22/40/355562240.db2.gz VOHYPKMXEHGLLO-GHMZBOCLSA-N 2 1 269.345 -0.427 20 0 CBADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000601325538 355585340 /nfs/dbraw/zinc/58/53/40/355585340.db2.gz KVCVBQRDIIJTDV-WHOHXGKFSA-N 2 1 253.346 -0.345 20 0 CBADMP COC(=O)C1CCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000601325857 355585481 /nfs/dbraw/zinc/58/54/81/355585481.db2.gz GLRWOLGDNDJJOF-DGCLKSJQSA-N 2 1 297.399 -0.075 20 0 CBADMP COC(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000601325857 355585483 /nfs/dbraw/zinc/58/54/83/355585483.db2.gz GLRWOLGDNDJJOF-DGCLKSJQSA-N 2 1 297.399 -0.075 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326556 355586771 /nfs/dbraw/zinc/58/67/71/355586771.db2.gz OYZVVSBLTVHVFL-OUAUKWLOSA-N 2 1 286.376 -0.626 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326556 355586773 /nfs/dbraw/zinc/58/67/73/355586773.db2.gz OYZVVSBLTVHVFL-OUAUKWLOSA-N 2 1 286.376 -0.626 20 0 CBADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000600734116 355563646 /nfs/dbraw/zinc/56/36/46/355563646.db2.gz DQWOONVAADSHMS-JTQLQIEISA-N 2 1 274.365 -0.484 20 0 CBADMP COC(=O)c1cn(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)nn1 ZINC000600739789 355564048 /nfs/dbraw/zinc/56/40/48/355564048.db2.gz FTTDITZFGWXPHP-LLVKDONJSA-N 2 1 297.359 -0.889 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600747048 355565240 /nfs/dbraw/zinc/56/52/40/355565240.db2.gz WEKWLGWULSPUED-GASCZTMLSA-N 2 1 297.399 -0.061 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000601026916 355576937 /nfs/dbraw/zinc/57/69/37/355576937.db2.gz ZRPKEYGWJLKZQB-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000601026916 355576943 /nfs/dbraw/zinc/57/69/43/355576943.db2.gz ZRPKEYGWJLKZQB-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000601026916 355576947 /nfs/dbraw/zinc/57/69/47/355576947.db2.gz ZRPKEYGWJLKZQB-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000602021607 355625650 /nfs/dbraw/zinc/62/56/50/355625650.db2.gz QBRBGDXOUZPRLV-UTUOFQBUSA-N 3 1 254.378 -0.539 20 0 CBADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000602021607 355625652 /nfs/dbraw/zinc/62/56/52/355625652.db2.gz QBRBGDXOUZPRLV-UTUOFQBUSA-N 3 1 254.378 -0.539 20 0 CBADMP C[NH+]1CCN(C(=O)Cn2cc(CSCC[NH3+])nn2)CC1 ZINC000603174768 355698096 /nfs/dbraw/zinc/69/80/96/355698096.db2.gz CZMWAIFRCAROGO-UHFFFAOYSA-N 2 1 298.416 -0.756 20 0 CBADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000603435756 355715978 /nfs/dbraw/zinc/71/59/78/355715978.db2.gz ZDMMKFSUOYKGQF-IUCAKERBSA-N 2 1 254.334 -0.310 20 0 CBADMP CC1(C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C[C@@H]1[NH3+] ZINC000603435754 355716176 /nfs/dbraw/zinc/71/61/76/355716176.db2.gz ZDMMKFSUOYKGQF-DTWKUNHWSA-N 2 1 254.334 -0.310 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878479 355679424 /nfs/dbraw/zinc/67/94/24/355679424.db2.gz WZNCEBJTAZYUCF-UHFFFAOYSA-N 2 1 268.361 -0.140 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000612550940 355840488 /nfs/dbraw/zinc/84/04/88/355840488.db2.gz KENPVMRJSZBNOW-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000612550940 355840489 /nfs/dbraw/zinc/84/04/89/355840489.db2.gz KENPVMRJSZBNOW-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000612550940 355840490 /nfs/dbraw/zinc/84/04/90/355840490.db2.gz KENPVMRJSZBNOW-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612875873 355854322 /nfs/dbraw/zinc/85/43/22/355854322.db2.gz OBJXOKNIJVRWCY-GFCCVEGCSA-N 2 1 258.366 -0.384 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000612979703 355858669 /nfs/dbraw/zinc/85/86/69/355858669.db2.gz IYHUHPFGBZTFOO-SMDDNHRTSA-N 2 1 282.388 -0.506 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612987890 355859321 /nfs/dbraw/zinc/85/93/21/355859321.db2.gz RHTRAHUJUVZOGE-STQMWFEESA-N 2 1 296.415 -0.164 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612987890 355859324 /nfs/dbraw/zinc/85/93/24/355859324.db2.gz RHTRAHUJUVZOGE-STQMWFEESA-N 2 1 296.415 -0.164 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000614068040 355933038 /nfs/dbraw/zinc/93/30/38/355933038.db2.gz KRVXDWUPKNUVAE-ZFWWWQNUSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000614068040 355933041 /nfs/dbraw/zinc/93/30/41/355933041.db2.gz KRVXDWUPKNUVAE-ZFWWWQNUSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000614065615 355933157 /nfs/dbraw/zinc/93/31/57/355933157.db2.gz QTVDELQSKGJEGS-OCCSQVGLSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000614502688 355963277 /nfs/dbraw/zinc/96/32/77/355963277.db2.gz LMGDMRUCEFRKSF-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614502688 355963281 /nfs/dbraw/zinc/96/32/81/355963281.db2.gz LMGDMRUCEFRKSF-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614502688 355963282 /nfs/dbraw/zinc/96/32/82/355963282.db2.gz LMGDMRUCEFRKSF-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000614506102 355964742 /nfs/dbraw/zinc/96/47/42/355964742.db2.gz VWOOLXIMVJWNIL-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000614506102 355964747 /nfs/dbraw/zinc/96/47/47/355964747.db2.gz VWOOLXIMVJWNIL-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000614506102 355964752 /nfs/dbraw/zinc/96/47/52/355964752.db2.gz VWOOLXIMVJWNIL-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000614507502 355965446 /nfs/dbraw/zinc/96/54/46/355965446.db2.gz POKLTUSIXIRHSJ-CQSZACIVSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000615307080 356020411 /nfs/dbraw/zinc/02/04/11/356020411.db2.gz CRVXOXHITCGQLE-QWHCGFSZSA-N 2 1 268.405 -0.215 20 0 CBADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000615313253 356021025 /nfs/dbraw/zinc/02/10/25/356021025.db2.gz HXGVKIMLBSDVCE-HZSPNIEDSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)[NH+](C)C ZINC000617756964 356154326 /nfs/dbraw/zinc/15/43/26/356154326.db2.gz RUUGYGTYPGNAIL-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)[NH+](C)C ZINC000617756962 356154819 /nfs/dbraw/zinc/15/48/19/356154819.db2.gz RUUGYGTYPGNAIL-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(C(N)=O)CC1 ZINC000617505777 356139913 /nfs/dbraw/zinc/13/99/13/356139913.db2.gz PQRYVAWVESKYTH-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(C(N)=O)CC1 ZINC000617505777 356139916 /nfs/dbraw/zinc/13/99/16/356139916.db2.gz PQRYVAWVESKYTH-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCN(C)C1=O ZINC000617507037 356139934 /nfs/dbraw/zinc/13/99/34/356139934.db2.gz GAIFGFSPTQFYIJ-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCN(C)C1=O ZINC000617507037 356139937 /nfs/dbraw/zinc/13/99/37/356139937.db2.gz GAIFGFSPTQFYIJ-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CN1CCCC1=O ZINC000617504440 356139956 /nfs/dbraw/zinc/13/99/56/356139956.db2.gz VYITXPGVRJOEHC-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CN1CCCC1=O ZINC000617504440 356139959 /nfs/dbraw/zinc/13/99/59/356139959.db2.gz VYITXPGVRJOEHC-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000619900858 356230756 /nfs/dbraw/zinc/23/07/56/356230756.db2.gz ZGDZPYGEZMCWBO-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000619900858 356230759 /nfs/dbraw/zinc/23/07/59/356230759.db2.gz ZGDZPYGEZMCWBO-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000619900858 356230762 /nfs/dbraw/zinc/23/07/62/356230762.db2.gz ZGDZPYGEZMCWBO-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000619900858 356230766 /nfs/dbraw/zinc/23/07/66/356230766.db2.gz ZGDZPYGEZMCWBO-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@@H+](CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1CC1 ZINC000618307167 356186359 /nfs/dbraw/zinc/18/63/59/356186359.db2.gz YUTXBIHPMHMCBI-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)N1CC[NH+](C)CC1 ZINC000621698804 356281263 /nfs/dbraw/zinc/28/12/63/356281263.db2.gz GGDJMGZFEVFLOC-IPYPFGDCSA-N 2 1 280.416 -0.038 20 0 CBADMP CC(C)[C@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC[NH2+]1 ZINC000621155559 356257451 /nfs/dbraw/zinc/25/74/51/356257451.db2.gz HYSWUVLDEKWQEI-ZIAGYGMSSA-N 2 1 280.416 -0.167 20 0 CBADMP 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 283148578 /nfs/dbraw/zinc/14/85/78/283148578.db2.gz UUDOSSXXRBETFT-KIJLLGNVSA-N 2 1 264.373 -0.060 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000620478634 356244500 /nfs/dbraw/zinc/24/45/00/356244500.db2.gz ZRTXEJCCZGZDBF-TZMCWYRMSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000620478634 356244502 /nfs/dbraw/zinc/24/45/02/356244502.db2.gz ZRTXEJCCZGZDBF-TZMCWYRMSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000620478634 356244504 /nfs/dbraw/zinc/24/45/04/356244504.db2.gz ZRTXEJCCZGZDBF-TZMCWYRMSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)C1CC1 ZINC000621839029 356289161 /nfs/dbraw/zinc/28/91/61/356289161.db2.gz MWLGLXLBHQYBGL-ABAIWWIYSA-N 2 1 294.399 -0.463 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000622460395 356321066 /nfs/dbraw/zinc/32/10/66/356321066.db2.gz QNESRFKNAVTBPV-GFCCVEGCSA-N 2 1 254.334 -0.380 20 0 CBADMP Nc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000623800311 356376502 /nfs/dbraw/zinc/37/65/02/356376502.db2.gz DLRRDLPFPLMOHS-LLVKDONJSA-N 2 1 285.355 -0.195 20 0 CBADMP C[C@H](CNc1nc(N)[nH+]c(N)n1)[N@H+]1CCCC[C@@H]1C ZINC000623857268 356378935 /nfs/dbraw/zinc/37/89/35/356378935.db2.gz LKTGRIOELRAFHG-DTWKUNHWSA-N 2 1 265.365 -0.207 20 0 CBADMP Nc1nc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)nc(N)[nH+]1 ZINC000623846251 356379462 /nfs/dbraw/zinc/37/94/62/356379462.db2.gz PYXGIYIQTBCRJU-SNVBAGLBSA-N 2 1 293.375 -0.612 20 0 CBADMP C[C@H](CNc1nc(N)[nH+]c(N)n1)[N@H+]1CCCC[C@H]1C ZINC000623857274 356379490 /nfs/dbraw/zinc/37/94/90/356379490.db2.gz LKTGRIOELRAFHG-RKDXNWHRSA-N 2 1 265.365 -0.207 20 0 CBADMP Nc1nc(N)[nH+]c(NC2CC[NH+](CC3CC3)CC2)n1 ZINC000623875670 356380583 /nfs/dbraw/zinc/38/05/83/356380583.db2.gz RUWIWFJDALMLTM-UHFFFAOYSA-N 2 1 263.349 -0.595 20 0 CBADMP CC[NH+]1CCC(CNc2nc(N)nc(N)[nH+]2)CC1 ZINC000623887909 356381572 /nfs/dbraw/zinc/38/15/72/356381572.db2.gz QVFGMRLRNYSUDQ-UHFFFAOYSA-N 2 1 251.338 -0.738 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1nc(N)[nH+]c(N)n1 ZINC000623885571 356381633 /nfs/dbraw/zinc/38/16/33/356381633.db2.gz BFXXFPWVOXRBQU-DTWKUNHWSA-N 2 1 265.365 -0.349 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(c3nc(N)[nH+]c(N)n3)CC[C@@H]21 ZINC000624041342 356391725 /nfs/dbraw/zinc/39/17/25/356391725.db2.gz QVLGEOHPLKISNG-IUCAKERBSA-N 2 1 263.349 -0.383 20 0 CBADMP C[N@H+]1CCCC12CCN(c1nc(N)[nH+]c(N)n1)CC2 ZINC000624081717 356394976 /nfs/dbraw/zinc/39/49/76/356394976.db2.gz DNUKLJVDLLJDJZ-UHFFFAOYSA-N 2 1 263.349 -0.239 20 0 CBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624165113 356400794 /nfs/dbraw/zinc/40/07/94/356400794.db2.gz YLFCBDKMBRGBEJ-VIFPVBQESA-N 2 1 293.375 -0.614 20 0 CBADMP C[NH+](C)CC1(CNc2nc(N)nc(N)[nH+]2)CCCC1 ZINC000624101744 356396415 /nfs/dbraw/zinc/39/64/15/356396415.db2.gz ZFPSLBHXDUNBED-UHFFFAOYSA-N 2 1 265.365 -0.347 20 0 CBADMP C[NH+]1CCC(C)(CNc2nc(N)nc(N)[nH+]2)CC1 ZINC000624091798 356396978 /nfs/dbraw/zinc/39/69/78/356396978.db2.gz OHDKTCZOUWMQMD-UHFFFAOYSA-N 2 1 251.338 -0.738 20 0 CBADMP CC(C)C[N@@H+](C)CCCNc1nc(N)[nH+]c(N)n1 ZINC000624346557 356413205 /nfs/dbraw/zinc/41/32/05/356413205.db2.gz RDRVCCQHXYGDEK-UHFFFAOYSA-N 2 1 253.354 -0.492 20 0 CBADMP CC(C)C[N@H+](C)CCCNc1nc(N)nc(N)[nH+]1 ZINC000624346557 356413209 /nfs/dbraw/zinc/41/32/09/356413209.db2.gz RDRVCCQHXYGDEK-UHFFFAOYSA-N 2 1 253.354 -0.492 20 0 CBADMP CC(C)C[N@@H+](C)CCCNc1nc(N)nc(N)[nH+]1 ZINC000624346557 356413213 /nfs/dbraw/zinc/41/32/13/356413213.db2.gz RDRVCCQHXYGDEK-UHFFFAOYSA-N 2 1 253.354 -0.492 20 0 CBADMP CCCC[N@@H+](C)C[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624231527 356405918 /nfs/dbraw/zinc/40/59/18/356405918.db2.gz ASRLNXVIHQHCKF-MRVPVSSYSA-N 2 1 253.354 -0.349 20 0 CBADMP CCC[N@@H+](CC)C[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624234309 356405940 /nfs/dbraw/zinc/40/59/40/356405940.db2.gz KVUOLBGGSDCFQN-QMMMGPOBSA-N 2 1 253.354 -0.349 20 0 CBADMP C[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@H+](C2CC2)C1 ZINC000624247984 356407632 /nfs/dbraw/zinc/40/76/32/356407632.db2.gz XSMMFEPUMCLVSP-MRVPVSSYSA-N 2 1 263.349 -0.383 20 0 CBADMP Nc1nc(N2CCC([N@H+]3CCCOCC3)CC2)nc(N)[nH+]1 ZINC000624275287 356409243 /nfs/dbraw/zinc/40/92/43/356409243.db2.gz RMQXXZHDVCNBDC-UHFFFAOYSA-N 2 1 293.375 -0.612 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039585 356503756 /nfs/dbraw/zinc/50/37/56/356503756.db2.gz IAGAKTPNPKZYAR-GRYCIOLGSA-N 2 1 257.378 -0.117 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039585 356503759 /nfs/dbraw/zinc/50/37/59/356503759.db2.gz IAGAKTPNPKZYAR-GRYCIOLGSA-N 2 1 257.378 -0.117 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039585 356503763 /nfs/dbraw/zinc/50/37/63/356503763.db2.gz IAGAKTPNPKZYAR-GRYCIOLGSA-N 2 1 257.378 -0.117 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039585 356503767 /nfs/dbraw/zinc/50/37/67/356503767.db2.gz IAGAKTPNPKZYAR-GRYCIOLGSA-N 2 1 257.378 -0.117 20 0 CBADMP [NH3+]CCCOCCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000626978210 356562431 /nfs/dbraw/zinc/56/24/31/356562431.db2.gz AJJFYSCWYUWKHR-NSHDSACASA-N 2 1 270.377 -0.112 20 0 CBADMP C[NH2+]CCOCCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000626950451 356558650 /nfs/dbraw/zinc/55/86/50/356558650.db2.gz RIRBZWHIOSEDFM-NSHDSACASA-N 2 1 258.366 -0.384 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626942829 356558728 /nfs/dbraw/zinc/55/87/28/356558728.db2.gz SLKRMWVIYMTIJU-LBPRGKRZSA-N 2 1 281.360 -0.131 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)NCCOCCC[NH3+] ZINC000626960622 356559569 /nfs/dbraw/zinc/55/95/69/356559569.db2.gz FBKJSRHJUNZVEK-UHFFFAOYSA-N 2 1 269.349 -0.144 20 0 CBADMP C[NH2+]CCOCCNC(=O)NCC[NH+]1CCSCC1 ZINC000626976359 356561708 /nfs/dbraw/zinc/56/17/08/356561708.db2.gz BFLXXHFTEMJYHB-UHFFFAOYSA-N 2 1 290.433 -0.430 20 0 CBADMP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000626983006 356563101 /nfs/dbraw/zinc/56/31/01/356563101.db2.gz YQDQVTSMUQRDEJ-OLZOCXBDSA-N 2 1 282.388 -0.242 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626986581 356563205 /nfs/dbraw/zinc/56/32/05/356563205.db2.gz KGQPDXHSRZXHBF-LBPRGKRZSA-N 2 1 288.392 -0.758 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626986332 356563376 /nfs/dbraw/zinc/56/33/76/356563376.db2.gz GCKQQEDUIWQFOG-UONOGXRCSA-N 2 1 297.447 -0.079 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000626982959 356563529 /nfs/dbraw/zinc/56/35/29/356563529.db2.gz XJQWQXRIPOZEAQ-MNOVXSKESA-N 2 1 256.350 -0.632 20 0 CBADMP C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC000627003616 356565489 /nfs/dbraw/zinc/56/54/89/356565489.db2.gz RYDQDIBDSPPNPC-AXFHLTTASA-N 2 1 256.350 -0.633 20 0 CBADMP C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000627003616 356565491 /nfs/dbraw/zinc/56/54/91/356565491.db2.gz RYDQDIBDSPPNPC-AXFHLTTASA-N 2 1 256.350 -0.633 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCC3([NH3+])CCOCC3)C[C@@H]21 ZINC000627147732 356588799 /nfs/dbraw/zinc/58/87/99/356588799.db2.gz MAFSMEINUPOWGF-NEPJUHHUSA-N 2 1 282.388 -0.160 20 0 CBADMP C[NH2+]CCOCCNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000627171958 356592882 /nfs/dbraw/zinc/59/28/82/356592882.db2.gz NJVJDYBMTMXVAJ-NWDGAFQWSA-N 2 1 270.377 -0.432 20 0 CBADMP C[NH2+]CCOCCNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000627171809 356592986 /nfs/dbraw/zinc/59/29/86/356592986.db2.gz IQEGDXQDDRDUIJ-AWEZNQCLSA-N 2 1 284.404 -0.040 20 0 CBADMP O=C(NCC[C@H]1CC[NH2+]C1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627073123 356573773 /nfs/dbraw/zinc/57/37/73/356573773.db2.gz KQBFHLNPUKWRDE-NEPJUHHUSA-N 2 1 270.377 -0.648 20 0 CBADMP C[C@@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC000627070437 356573793 /nfs/dbraw/zinc/57/37/93/356573793.db2.gz URYLMNZAZLQEDD-UPJWGTAASA-N 2 1 284.404 -0.260 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CCC[NH2+]C1 ZINC000627075868 356574691 /nfs/dbraw/zinc/57/46/91/356574691.db2.gz PHHBAIWFTXMBEA-MNOVXSKESA-N 2 1 256.350 -0.896 20 0 CBADMP [NH3+][C@@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000627082569 356577397 /nfs/dbraw/zinc/57/73/97/356577397.db2.gz HJRIWKQEDKWRBA-MNOVXSKESA-N 2 1 256.350 -0.911 20 0 CBADMP C[NH2+]CCOCCNC(=O)NCC(F)(F)C[NH3+] ZINC000627084580 356578323 /nfs/dbraw/zinc/57/83/23/356578323.db2.gz JBOFDMDJZWBMMS-UHFFFAOYSA-N 2 1 254.281 -0.884 20 0 CBADMP CN(CCOCC[NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000627084384 356578371 /nfs/dbraw/zinc/57/83/71/356578371.db2.gz HWLUEGGPRCDTNA-UHFFFAOYSA-N 2 1 254.281 -0.803 20 0 CBADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627090729 356581652 /nfs/dbraw/zinc/58/16/52/356581652.db2.gz YNHGWCXNBGDKGN-QJPTWQEYSA-N 2 1 270.377 -0.650 20 0 CBADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627090728 356581734 /nfs/dbraw/zinc/58/17/34/356581734.db2.gz YNHGWCXNBGDKGN-IJLUTSLNSA-N 2 1 270.377 -0.650 20 0 CBADMP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000627103941 356583718 /nfs/dbraw/zinc/58/37/18/356583718.db2.gz XWZKPBWHVCBKOJ-SRVKXCTJSA-N 2 1 270.377 -0.520 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627103448 356583779 /nfs/dbraw/zinc/58/37/79/356583779.db2.gz SDFGPGQJYUCBEL-NWDGAFQWSA-N 2 1 270.377 -0.242 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627219624 356608743 /nfs/dbraw/zinc/60/87/43/356608743.db2.gz ZEQUUCFQNPQEPI-LBPRGKRZSA-N 2 1 276.356 -0.305 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627219623 356609093 /nfs/dbraw/zinc/60/90/93/356609093.db2.gz ZEQUUCFQNPQEPI-GFCCVEGCSA-N 2 1 276.356 -0.305 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000627244933 356611290 /nfs/dbraw/zinc/61/12/90/356611290.db2.gz AKHLYZZTZZOSMT-RWMBFGLXSA-N 2 1 284.404 -0.117 20 0 CBADMP C[NH2+]CCOCCNC(=O)N1CC[NH+](CCOC)CC1 ZINC000627178547 356595440 /nfs/dbraw/zinc/59/54/40/356595440.db2.gz WWCPMXOJOLAJTK-UHFFFAOYSA-N 2 1 288.392 -0.804 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C[NH2+]1 ZINC000627207728 356605125 /nfs/dbraw/zinc/60/51/25/356605125.db2.gz DELPIAAWEXTADZ-GRYCIOLGSA-N 2 1 270.377 -0.507 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627207548 356605402 /nfs/dbraw/zinc/60/54/02/356605402.db2.gz PUGISXWDAJYXMM-RWMBFGLXSA-N 2 1 284.404 -0.165 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000627349572 356630306 /nfs/dbraw/zinc/63/03/06/356630306.db2.gz SCPYJLAAXYTQPN-JQWIXIFHSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627365204 356632559 /nfs/dbraw/zinc/63/25/59/356632559.db2.gz IQKKNYZHMQMKBQ-SDDRHHMPSA-N 2 1 284.404 -0.301 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627308445 356624020 /nfs/dbraw/zinc/62/40/20/356624020.db2.gz PTTKCVVWCHWARS-VXGBXAGGSA-N 2 1 282.388 -0.687 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000627319224 356625746 /nfs/dbraw/zinc/62/57/46/356625746.db2.gz NGGPRQCMRDUMKG-UHFFFAOYSA-N 2 1 256.350 -0.996 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000627325578 356626609 /nfs/dbraw/zinc/62/66/09/356626609.db2.gz ODORIYXNROOIPD-HOSYDEDBSA-N 2 1 280.372 -0.794 20 0 CBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627333043 356627494 /nfs/dbraw/zinc/62/74/94/356627494.db2.gz RWKFUSXVORHDAS-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627428964 356645254 /nfs/dbraw/zinc/64/52/54/356645254.db2.gz TWGPGXVXDZJOKC-XQQFMLRXSA-N 2 1 296.415 -0.156 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)C1 ZINC000627428496 356645877 /nfs/dbraw/zinc/64/58/77/356645877.db2.gz HJURYDLFIBJUDE-FRRDWIJNSA-N 2 1 296.415 -0.156 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(CC)CC[NH3+] ZINC000627392952 356638122 /nfs/dbraw/zinc/63/81/22/356638122.db2.gz KLHGOHGLKVGULL-UHFFFAOYSA-N 2 1 272.393 -0.358 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627504052 356660363 /nfs/dbraw/zinc/66/03/63/356660363.db2.gz RUUCOIJOHTVNJN-VXGBXAGGSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000627506997 356661745 /nfs/dbraw/zinc/66/17/45/356661745.db2.gz VNAMQLIKFBFFGC-IJLUTSLNSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000627506997 356661747 /nfs/dbraw/zinc/66/17/47/356661747.db2.gz VNAMQLIKFBFFGC-IJLUTSLNSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627478479 356653562 /nfs/dbraw/zinc/65/35/62/356653562.db2.gz NKKLEVUOPMKCTN-YNEHKIRRSA-N 2 1 296.415 -0.156 20 0 CBADMP 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 356658765 /nfs/dbraw/zinc/65/87/65/356658765.db2.gz UJRNJJNUSPKACK-WUHRBBMRSA-N 2 1 296.415 -0.348 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627503867 356659624 /nfs/dbraw/zinc/65/96/24/356659624.db2.gz GZLPOZTUZXKNEH-LLVKDONJSA-N 2 1 268.361 -0.981 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@H](C)C1 ZINC000627503963 356659674 /nfs/dbraw/zinc/65/96/74/356659674.db2.gz MWJJPCOUFHHCEY-YNEHKIRRSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)N1CC[NH+](C)CC1 ZINC000627650412 356667659 /nfs/dbraw/zinc/66/76/59/356667659.db2.gz IIAYWLUGOKRKMP-MQYQWHSLSA-N 2 1 280.416 -0.359 20 0 CBADMP CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000628274720 356695099 /nfs/dbraw/zinc/69/50/99/356695099.db2.gz KANRFOVTYYHMTD-LLVKDONJSA-N 2 1 292.449 -0.155 20 0 CBADMP CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000628274720 356695102 /nfs/dbraw/zinc/69/51/02/356695102.db2.gz KANRFOVTYYHMTD-LLVKDONJSA-N 2 1 292.449 -0.155 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000628585054 356714143 /nfs/dbraw/zinc/71/41/43/356714143.db2.gz KSUPSJIDSOBYGI-LBPRGKRZSA-N 2 1 293.371 -0.352 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000628585054 356714147 /nfs/dbraw/zinc/71/41/47/356714147.db2.gz KSUPSJIDSOBYGI-LBPRGKRZSA-N 2 1 293.371 -0.352 20 0 CBADMP NC(=O)C[C@@H]1C[N@H+]([C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000629545441 356778074 /nfs/dbraw/zinc/77/80/74/356778074.db2.gz MIDTZDUSIWXCFA-YVECIDJPSA-N 2 1 267.373 -0.049 20 0 CBADMP O=C(NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccnc1 ZINC000629555750 356779172 /nfs/dbraw/zinc/77/91/72/356779172.db2.gz OTHQCBRCUQFJNC-CQSZACIVSA-N 2 1 292.383 -0.142 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000629173388 356752151 /nfs/dbraw/zinc/75/21/51/356752151.db2.gz PLNVMMMDVUDZLY-NEPJUHHUSA-N 2 1 257.378 -0.245 20 0 CBADMP CN(C)c1cc[nH+]cc1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629172068 356752288 /nfs/dbraw/zinc/75/22/88/356752288.db2.gz PZYAUENMMSVAHY-LLVKDONJSA-N 2 1 278.356 -0.056 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000629567037 356780344 /nfs/dbraw/zinc/78/03/44/356780344.db2.gz MQDSHXPNZSFMPN-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CCCN1CCOCC1 ZINC000629570128 356780447 /nfs/dbraw/zinc/78/04/47/356780447.db2.gz IKAUNPZAGPWUTQ-UHFFFAOYSA-N 2 1 259.394 -0.124 20 0 CBADMP O=C1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CN1C1CC1 ZINC000629566078 356780676 /nfs/dbraw/zinc/78/06/76/356780676.db2.gz SBGMKBTXKOLSHW-YPMHNXCESA-N 2 1 267.373 -0.204 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)C[C@@H](C)CS(C)(=O)=O ZINC000629571178 356780764 /nfs/dbraw/zinc/78/07/64/356780764.db2.gz IVFAAIJNPNVFNN-LLVKDONJSA-N 2 1 266.407 -0.165 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H](C)CS(C)(=O)=O ZINC000629571178 356780768 /nfs/dbraw/zinc/78/07/68/356780768.db2.gz IVFAAIJNPNVFNN-LLVKDONJSA-N 2 1 266.407 -0.165 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N(C)Cc1cnn(C)c1 ZINC000629570807 356781095 /nfs/dbraw/zinc/78/10/95/356781095.db2.gz MSAAQQHMFDZYBF-UHFFFAOYSA-N 2 1 297.403 -0.454 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N(C)Cc1cnn(C)c1 ZINC000629570807 356781096 /nfs/dbraw/zinc/78/10/96/356781096.db2.gz MSAAQQHMFDZYBF-UHFFFAOYSA-N 2 1 297.403 -0.454 20 0 CBADMP CCOC[C@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629656291 356788699 /nfs/dbraw/zinc/78/86/99/356788699.db2.gz PCJBBXBJILUMHK-ZIAGYGMSSA-N 2 1 299.415 -0.079 20 0 CBADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)C[NH2+]1 ZINC000629660334 356788878 /nfs/dbraw/zinc/78/88/78/356788878.db2.gz RWEATNOJVIGUJN-JHJVBQTASA-N 3 1 268.405 -0.086 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000629812152 356798714 /nfs/dbraw/zinc/79/87/14/356798714.db2.gz MXQOFIPLGDRAJL-HNNXBMFYSA-N 2 1 296.415 -0.262 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000629913375 356805673 /nfs/dbraw/zinc/80/56/73/356805673.db2.gz JIGWNAFJOSITFA-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629913375 356805677 /nfs/dbraw/zinc/80/56/77/356805677.db2.gz JIGWNAFJOSITFA-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629913375 356805683 /nfs/dbraw/zinc/80/56/83/356805683.db2.gz JIGWNAFJOSITFA-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](C)CCCCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629912968 356805980 /nfs/dbraw/zinc/80/59/80/356805980.db2.gz DATGKJAMNWYJRC-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@H+](CCOCC[NH3+])CC(=O)NC[C@H]1CCCO1 ZINC000629577328 356781445 /nfs/dbraw/zinc/78/14/45/356781445.db2.gz GITNTIIXLZAJTC-LLVKDONJSA-N 2 1 259.350 -0.811 20 0 CBADMP C[N@@H+](CCOCC[NH3+])CC(=O)NC[C@H]1CCCO1 ZINC000629577328 356781446 /nfs/dbraw/zinc/78/14/46/356781446.db2.gz GITNTIIXLZAJTC-LLVKDONJSA-N 2 1 259.350 -0.811 20 0 CBADMP CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629578553 356782436 /nfs/dbraw/zinc/78/24/36/356782436.db2.gz QVJVULIBTXBERB-UHFFFAOYSA-N 2 1 283.376 -0.714 20 0 CBADMP CN(Cc1cnn(C)c1)C(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629578553 356782439 /nfs/dbraw/zinc/78/24/39/356782439.db2.gz QVJVULIBTXBERB-UHFFFAOYSA-N 2 1 283.376 -0.714 20 0 CBADMP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCOCC[NH3+] ZINC000629578533 356782732 /nfs/dbraw/zinc/78/27/32/356782732.db2.gz QAVYLJPBJYVARB-QMMMGPOBSA-N 2 1 271.283 -0.040 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)[C@@H]1CCCO1)C1CC1 ZINC000629589918 356783447 /nfs/dbraw/zinc/78/34/47/356783447.db2.gz DJDOPCIQKHLMRP-AGIUHOORSA-N 2 1 258.362 -0.429 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)[C@@H]1CCCO1)C1CC1 ZINC000629589918 356783449 /nfs/dbraw/zinc/78/34/49/356783449.db2.gz DJDOPCIQKHLMRP-AGIUHOORSA-N 2 1 258.362 -0.429 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)[C@@H]1CCCO1)C1CC1 ZINC000629589921 356784227 /nfs/dbraw/zinc/78/42/27/356784227.db2.gz DJDOPCIQKHLMRP-UPJWGTAASA-N 2 1 258.362 -0.429 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)[C@@H]1CCCO1)C1CC1 ZINC000629589921 356784229 /nfs/dbraw/zinc/78/42/29/356784229.db2.gz DJDOPCIQKHLMRP-UPJWGTAASA-N 2 1 258.362 -0.429 20 0 CBADMP Cn1cc(C[C@H](CO)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000629598988 356785078 /nfs/dbraw/zinc/78/50/78/356785078.db2.gz ZFNZJIKYNAIHSE-ZIAGYGMSSA-N 2 1 282.388 -0.630 20 0 CBADMP Cn1cc(C[C@@H](CO)[NH2+]C[C@H](O)C[NH+]2CCCC2)cn1 ZINC000629598985 356785191 /nfs/dbraw/zinc/78/51/91/356785191.db2.gz ZFNZJIKYNAIHSE-KBPBESRZSA-N 2 1 282.388 -0.630 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+](C)C ZINC000629612249 356787346 /nfs/dbraw/zinc/78/73/46/356787346.db2.gz ZBBSDQNCZLCMSE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1c[nH]nn1 ZINC000630931614 356868431 /nfs/dbraw/zinc/86/84/31/356868431.db2.gz SPUFDXVEXFKGOX-UHFFFAOYSA-N 2 1 282.392 -0.311 20 0 CBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1cnn[nH]1 ZINC000630931614 356868436 /nfs/dbraw/zinc/86/84/36/356868436.db2.gz SPUFDXVEXFKGOX-UHFFFAOYSA-N 2 1 282.392 -0.311 20 0 CBADMP C[NH+](C)CCOCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631114393 356874413 /nfs/dbraw/zinc/87/44/13/356874413.db2.gz YNGJFRJELURRSK-ZDUSSCGKSA-N 2 1 297.403 -0.018 20 0 CBADMP CC[C@@H]1C[N@@H+](C)CCCN1c1nc(N)[nH+]c(N)n1 ZINC000631356358 356885866 /nfs/dbraw/zinc/88/58/66/356885866.db2.gz VXXGQOIVPFLOST-MRVPVSSYSA-N 2 1 251.338 -0.383 20 0 CBADMP CC[C@H]1C[N@@H+](C)CCCN1c1nc(N)[nH+]c(N)n1 ZINC000631356359 356885886 /nfs/dbraw/zinc/88/58/86/356885886.db2.gz VXXGQOIVPFLOST-QMMMGPOBSA-N 2 1 251.338 -0.383 20 0 CBADMP [NH3+]C1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000630343877 356835881 /nfs/dbraw/zinc/83/58/81/356835881.db2.gz UZONQSXWFYGBNN-UHFFFAOYSA-N 2 1 270.377 -0.159 20 0 CBADMP O=C(NCCC[NH+]1CCCC1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000630396469 356842736 /nfs/dbraw/zinc/84/27/36/356842736.db2.gz IRPYBHYDTUVXES-CYBMUJFWSA-N 2 1 284.404 -0.162 20 0 CBADMP CC(C)C[N@@H+](CCN(C)C)CCn1cc([C@@H]([NH3+])CO)nn1 ZINC000630610868 356855487 /nfs/dbraw/zinc/85/54/87/356855487.db2.gz RXHFHZLBZVPJNM-ZDUSSCGKSA-N 2 1 298.435 -0.210 20 0 CBADMP CC(C)CN(CCn1cc([C@@H]([NH3+])CO)nn1)CC[NH+](C)C ZINC000630610868 356855488 /nfs/dbraw/zinc/85/54/88/356855488.db2.gz RXHFHZLBZVPJNM-ZDUSSCGKSA-N 2 1 298.435 -0.210 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCc2ncnn21 ZINC000631822120 356908717 /nfs/dbraw/zinc/90/87/17/356908717.db2.gz TXLCJPRVRYKEBJ-LBPRGKRZSA-N 2 1 264.377 -0.398 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCc2ncnn21 ZINC000631822119 356908880 /nfs/dbraw/zinc/90/88/80/356908880.db2.gz TXLCJPRVRYKEBJ-GFCCVEGCSA-N 2 1 264.377 -0.398 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631821154 356908904 /nfs/dbraw/zinc/90/89/04/356908904.db2.gz QJDMEDXJEDLFEO-NWDGAFQWSA-N 2 1 292.387 -0.448 20 0 CBADMP C[C@@H]1C[N@H+](CC(=O)NCCCN2CCCC2=O)C[C@H]1C[NH3+] ZINC000631843232 356912283 /nfs/dbraw/zinc/91/22/83/356912283.db2.gz LBYXKQYUMNIBLF-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)NCCCN2CCCC2=O)C[C@H]1C[NH3+] ZINC000631843232 356912286 /nfs/dbraw/zinc/91/22/86/356912286.db2.gz LBYXKQYUMNIBLF-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2CCC([NH3+])CC2)CC1 ZINC000631900393 356917151 /nfs/dbraw/zinc/91/71/51/356917151.db2.gz QQUPERMVIJMZLO-UHFFFAOYSA-N 2 1 261.391 -0.167 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CCO1 ZINC000631907282 356921484 /nfs/dbraw/zinc/92/14/84/356921484.db2.gz IBVOFYXXUIEVNC-MNOVXSKESA-N 2 1 291.417 -0.542 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000631936724 356927831 /nfs/dbraw/zinc/92/78/31/356927831.db2.gz KBDBIZFDFJFEKP-RYUDHWBXSA-N 2 1 291.417 -0.669 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000631941288 356929682 /nfs/dbraw/zinc/92/96/82/356929682.db2.gz SICBFYUYGABCPX-NSHDSACASA-N 2 1 291.417 -0.622 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000631941287 356929689 /nfs/dbraw/zinc/92/96/89/356929689.db2.gz SICBFYUYGABCPX-LLVKDONJSA-N 2 1 291.417 -0.622 20 0 CBADMP O=S(=O)(CCC[NH+]1CCCC1)NC[C@H]1COCC[NH2+]1 ZINC000631954250 356933718 /nfs/dbraw/zinc/93/37/18/356933718.db2.gz GDDLFBQZCULDOH-LBPRGKRZSA-N 2 1 291.417 -0.620 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000631953989 356933987 /nfs/dbraw/zinc/93/39/87/356933987.db2.gz YKCACYOJORTYTM-SNVBAGLBSA-N 2 1 261.391 -0.248 20 0 CBADMP CNS(=O)(=O)CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000631708720 356901932 /nfs/dbraw/zinc/90/19/32/356901932.db2.gz GMYYBJLLRLKRGI-MNOVXSKESA-N 2 1 263.407 -0.002 20 0 CBADMP C[NH+](C)CC1CN(S(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000632382953 356981135 /nfs/dbraw/zinc/98/11/35/356981135.db2.gz ODXXBRACALSYLS-UHFFFAOYSA-N 2 1 275.418 -0.096 20 0 CBADMP C[C@@H](CNS(=O)(=O)C[C@@H]1CN(C)CCO1)N(C)C ZINC000632417861 356986389 /nfs/dbraw/zinc/98/63/89/356986389.db2.gz PDUWTCSSAPAUCZ-QWRGUYRKSA-N 2 1 279.406 -0.814 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000632431083 356988108 /nfs/dbraw/zinc/98/81/08/356988108.db2.gz RAOYISBPVGENAL-NSHDSACASA-N 2 1 263.407 -0.191 20 0 CBADMP CN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000633088180 357042186 /nfs/dbraw/zinc/04/21/86/357042186.db2.gz DASZXPURIGCMQH-UHTWSYAYSA-N 2 1 292.383 -0.746 20 0 CBADMP CN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000633088179 357042451 /nfs/dbraw/zinc/04/24/51/357042451.db2.gz DASZXPURIGCMQH-DRZSPHRISA-N 2 1 292.383 -0.746 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1C ZINC000633095336 357044744 /nfs/dbraw/zinc/04/47/44/357044744.db2.gz UUMIFSFQTTYHDG-AVGNSLFASA-N 2 1 294.399 -0.642 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1C ZINC000633095336 357044747 /nfs/dbraw/zinc/04/47/47/357044747.db2.gz UUMIFSFQTTYHDG-AVGNSLFASA-N 2 1 294.399 -0.642 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1C ZINC000633095337 357044806 /nfs/dbraw/zinc/04/48/06/357044806.db2.gz UUMIFSFQTTYHDG-RWMBFGLXSA-N 2 1 294.399 -0.642 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1C ZINC000633095337 357044808 /nfs/dbraw/zinc/04/48/08/357044808.db2.gz UUMIFSFQTTYHDG-RWMBFGLXSA-N 2 1 294.399 -0.642 20 0 CBADMP 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 357044820 /nfs/dbraw/zinc/04/48/20/357044820.db2.gz XLGHTZLCOAMJGT-ZDEQEGDKSA-N 2 1 294.399 -0.642 20 0 CBADMP 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 357048759 /nfs/dbraw/zinc/04/87/59/357048759.db2.gz NAKDAKYDBNTIJA-NDBYEHHHSA-N 2 1 292.383 -0.888 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000633114943 357049019 /nfs/dbraw/zinc/04/90/19/357049019.db2.gz FAJILERLCDINRI-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000633689954 357081150 /nfs/dbraw/zinc/08/11/50/357081150.db2.gz ZKVPVYOJGNRTPQ-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000633689954 357081151 /nfs/dbraw/zinc/08/11/51/357081151.db2.gz ZKVPVYOJGNRTPQ-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000633689954 357081152 /nfs/dbraw/zinc/08/11/52/357081152.db2.gz ZKVPVYOJGNRTPQ-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NCC[N@H+]2CC[C@H](O)C2)cn1 ZINC000633697488 357082042 /nfs/dbraw/zinc/08/20/42/357082042.db2.gz FQEDMXSXDOECOO-ZDUSSCGKSA-N 2 1 295.387 -0.759 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635264842 357154732 /nfs/dbraw/zinc/15/47/32/357154732.db2.gz QTLGIZPASKFACY-UHFFFAOYSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)[NH+](C)C ZINC000635485675 357168480 /nfs/dbraw/zinc/16/84/80/357168480.db2.gz BFQWHVBJIMVIBT-YPMHNXCESA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[C@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000634301038 357115867 /nfs/dbraw/zinc/11/58/67/357115867.db2.gz UUUCPVICWJHQAA-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@](O)(CO)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719839 357129338 /nfs/dbraw/zinc/12/93/38/357129338.db2.gz AIEJRTRGRALUPN-HZPDHXFCSA-N 2 1 294.395 -0.044 20 0 CBADMP C[C@](O)(CO)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719839 357129339 /nfs/dbraw/zinc/12/93/39/357129339.db2.gz AIEJRTRGRALUPN-HZPDHXFCSA-N 2 1 294.395 -0.044 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000635801562 357209679 /nfs/dbraw/zinc/20/96/79/357209679.db2.gz KEYAPKNKDJYWDZ-ZDUSSCGKSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635809506 357211005 /nfs/dbraw/zinc/21/10/05/357211005.db2.gz JTGKLRVDRWBACV-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635809506 357211007 /nfs/dbraw/zinc/21/10/07/357211007.db2.gz JTGKLRVDRWBACV-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635809506 357211008 /nfs/dbraw/zinc/21/10/08/357211008.db2.gz JTGKLRVDRWBACV-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000635928437 357235622 /nfs/dbraw/zinc/23/56/22/357235622.db2.gz GKHVCKKXIWMIMT-QWHCGFSZSA-N 2 1 281.400 -0.004 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000636578684 357290528 /nfs/dbraw/zinc/29/05/28/357290528.db2.gz NLODGZOFCIYYIA-IHRRRGAJSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000636578684 357290532 /nfs/dbraw/zinc/29/05/32/357290532.db2.gz NLODGZOFCIYYIA-IHRRRGAJSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000636578684 357290534 /nfs/dbraw/zinc/29/05/34/357290534.db2.gz NLODGZOFCIYYIA-IHRRRGAJSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000636596608 357291768 /nfs/dbraw/zinc/29/17/68/357291768.db2.gz SUSISALAZONIJA-MELADBBJSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000636596608 357291772 /nfs/dbraw/zinc/29/17/72/357291772.db2.gz SUSISALAZONIJA-MELADBBJSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000636596608 357291778 /nfs/dbraw/zinc/29/17/78/357291778.db2.gz SUSISALAZONIJA-MELADBBJSA-N 2 1 296.415 -0.021 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000636645207 357295068 /nfs/dbraw/zinc/29/50/68/357295068.db2.gz NSIRXJVMMQXLSI-NEPJUHHUSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636645207 357295070 /nfs/dbraw/zinc/29/50/70/357295070.db2.gz NSIRXJVMMQXLSI-NEPJUHHUSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636645207 357295072 /nfs/dbraw/zinc/29/50/72/357295072.db2.gz NSIRXJVMMQXLSI-NEPJUHHUSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+](C)C1CC1 ZINC000636732861 357298865 /nfs/dbraw/zinc/29/88/65/357298865.db2.gz YBKKNINLVKVGOD-AAEUAGOBSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H](CNC(=O)NCC[NH+]1CC[C@H](O)C1)[N@H+](C)C1CC1 ZINC000636732861 357298869 /nfs/dbraw/zinc/29/88/69/357298869.db2.gz YBKKNINLVKVGOD-AAEUAGOBSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H](CNC(=O)NCC[NH+]1CC[C@H](O)C1)[N@@H+](C)C1CC1 ZINC000636732861 357298873 /nfs/dbraw/zinc/29/88/73/357298873.db2.gz YBKKNINLVKVGOD-AAEUAGOBSA-N 2 1 284.404 -0.165 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000636791362 357304014 /nfs/dbraw/zinc/30/40/14/357304014.db2.gz VUDAUNYHKSBUSX-WCQYABFASA-N 2 1 282.388 -0.411 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000636791362 357304016 /nfs/dbraw/zinc/30/40/16/357304016.db2.gz VUDAUNYHKSBUSX-WCQYABFASA-N 2 1 282.388 -0.411 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000636791362 357304020 /nfs/dbraw/zinc/30/40/20/357304020.db2.gz VUDAUNYHKSBUSX-WCQYABFASA-N 2 1 282.388 -0.411 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000636820715 357305135 /nfs/dbraw/zinc/30/51/35/357305135.db2.gz ZEIYQGTWTAIWHE-ZIAGYGMSSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000636820715 357305137 /nfs/dbraw/zinc/30/51/37/357305137.db2.gz ZEIYQGTWTAIWHE-ZIAGYGMSSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000636820715 357305140 /nfs/dbraw/zinc/30/51/40/357305140.db2.gz ZEIYQGTWTAIWHE-ZIAGYGMSSA-N 2 1 296.415 -0.164 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000636844694 357307109 /nfs/dbraw/zinc/30/71/09/357307109.db2.gz KYQFEQASYFSJQW-JHJVBQTASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000636844694 357307114 /nfs/dbraw/zinc/30/71/14/357307114.db2.gz KYQFEQASYFSJQW-JHJVBQTASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000636844694 357307117 /nfs/dbraw/zinc/30/71/17/357307117.db2.gz KYQFEQASYFSJQW-JHJVBQTASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC000636012449 357250351 /nfs/dbraw/zinc/25/03/51/357250351.db2.gz UYVZDJNJUQNRNS-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC000636012449 357250356 /nfs/dbraw/zinc/25/03/56/357250356.db2.gz UYVZDJNJUQNRNS-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636012449 357250360 /nfs/dbraw/zinc/25/03/60/357250360.db2.gz UYVZDJNJUQNRNS-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636012449 357250365 /nfs/dbraw/zinc/25/03/65/357250365.db2.gz UYVZDJNJUQNRNS-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636181463 357269423 /nfs/dbraw/zinc/26/94/23/357269423.db2.gz DEJBLLZDTOWSEH-CYBMUJFWSA-N 2 1 298.431 -0.193 20 0 CBADMP C[C@H](C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[NH+](C)C ZINC000636229726 357272715 /nfs/dbraw/zinc/27/27/15/357272715.db2.gz PGQSSNRMDSLEIF-YPMHNXCESA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000636315796 357280230 /nfs/dbraw/zinc/28/02/30/357280230.db2.gz ITCLEORJFHZCLO-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000636315796 357280235 /nfs/dbraw/zinc/28/02/35/357280235.db2.gz ITCLEORJFHZCLO-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000637820852 357370451 /nfs/dbraw/zinc/37/04/51/357370451.db2.gz JQWVOTXAZBISST-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000637820850 357370799 /nfs/dbraw/zinc/37/07/99/357370799.db2.gz JQWVOTXAZBISST-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH2+]CCNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000637825096 357371376 /nfs/dbraw/zinc/37/13/76/357371376.db2.gz VIZXIRPANJMDPD-ZDUSSCGKSA-N 2 1 264.373 -0.219 20 0 CBADMP C[NH2+]CCNC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000637825096 357371379 /nfs/dbraw/zinc/37/13/79/357371379.db2.gz VIZXIRPANJMDPD-ZDUSSCGKSA-N 2 1 264.373 -0.219 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000637822395 357371418 /nfs/dbraw/zinc/37/14/18/357371418.db2.gz KGBKZQLKHHTPOY-ZDUSSCGKSA-N 2 1 287.404 -0.222 20 0 CBADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000637835633 357374182 /nfs/dbraw/zinc/37/41/82/357374182.db2.gz OZNQARIAFOBAFM-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000637254430 357335379 /nfs/dbraw/zinc/33/53/79/357335379.db2.gz AKPSTDGGKDJKOJ-XQQFMLRXSA-N 2 1 284.404 -0.308 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[NH2+]CC1 ZINC000637800390 357365205 /nfs/dbraw/zinc/36/52/05/357365205.db2.gz DIZKCOIYAXRHMS-CQSZACIVSA-N 2 1 276.384 -0.123 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NCC[NH3+] ZINC000637798431 357365412 /nfs/dbraw/zinc/36/54/12/357365412.db2.gz YAJHTIHKQVXLOT-LBPRGKRZSA-N 2 1 250.346 -0.479 20 0 CBADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NCC[NH3+] ZINC000637798431 357365414 /nfs/dbraw/zinc/36/54/14/357365414.db2.gz YAJHTIHKQVXLOT-LBPRGKRZSA-N 2 1 250.346 -0.479 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000637809632 357367716 /nfs/dbraw/zinc/36/77/16/357367716.db2.gz DAZLNULASVUNOO-UHFFFAOYSA-N 2 1 279.344 -0.918 20 0 CBADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000637809906 357368869 /nfs/dbraw/zinc/36/88/69/357368869.db2.gz HOKGDUCZTZCJSH-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CC1(C)CN(C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCO ZINC000638006841 357398780 /nfs/dbraw/zinc/39/87/80/357398780.db2.gz UOHCQEAGFVGJBV-GFCCVEGCSA-N 2 1 284.404 -0.164 20 0 CBADMP CC1(C)CN(C(=O)N[C@H]2CCC[NH2+]C2)CC[N@H+]1CCO ZINC000638006842 357399025 /nfs/dbraw/zinc/39/90/25/357399025.db2.gz UOHCQEAGFVGJBV-LBPRGKRZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638253042 357443938 /nfs/dbraw/zinc/44/39/38/357443938.db2.gz GXXIXMNFODSSPH-STQMWFEESA-N 2 1 273.352 -0.098 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000638254666 357444219 /nfs/dbraw/zinc/44/42/19/357444219.db2.gz VWBGJIVIIAKVBY-CYZMBNFOSA-N 2 1 273.352 -0.087 20 0 CBADMP [NH3+][C@@H]1CC=C(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000638046862 357405575 /nfs/dbraw/zinc/40/55/75/357405575.db2.gz GMRFXPNTZYOJNR-GFCCVEGCSA-N 2 1 253.346 -0.128 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)CN2CC[NH2+]CC2)C1 ZINC000638070693 357409506 /nfs/dbraw/zinc/40/95/06/357409506.db2.gz UZZILBGYOBPBTO-CYBMUJFWSA-N 2 1 268.405 -0.260 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638069852 357409605 /nfs/dbraw/zinc/40/96/05/357409605.db2.gz NIMQSFYLTAJANI-GRYCIOLGSA-N 2 1 255.362 -0.049 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638071131 357409691 /nfs/dbraw/zinc/40/96/91/357409691.db2.gz FOPSMVAZUZMQDN-TZMCWYRMSA-N 2 1 287.404 -0.162 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638071129 357410196 /nfs/dbraw/zinc/41/01/96/357410196.db2.gz FOPSMVAZUZMQDN-JSGCOSHPSA-N 2 1 287.404 -0.162 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000638072270 357410885 /nfs/dbraw/zinc/41/08/85/357410885.db2.gz LWIKYDFWUQBYLY-GMXVVIOVSA-N 2 1 255.362 -0.179 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638084905 357413687 /nfs/dbraw/zinc/41/36/87/357413687.db2.gz HKDZJTZSTALFTE-AAEUAGOBSA-N 2 1 255.362 -0.177 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000638090686 357414672 /nfs/dbraw/zinc/41/46/72/357414672.db2.gz KHEKLHGSDSQUAP-KCQAQPDRSA-N 2 1 299.415 -0.162 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@]1(C)C[NH2+]CCO1)C1CC1 ZINC000638097940 357416164 /nfs/dbraw/zinc/41/61/64/357416164.db2.gz XWLZYGCJDKPKOJ-CYBMUJFWSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000638240274 357442595 /nfs/dbraw/zinc/44/25/95/357442595.db2.gz ICUKSNBRNGHDRS-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638100121 357417302 /nfs/dbraw/zinc/41/73/02/357417302.db2.gz OZJSMKHNKRAHQF-GXTWGEPZSA-N 2 1 285.388 -0.408 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638102798 357418294 /nfs/dbraw/zinc/41/82/94/357418294.db2.gz WUJBCYMRRKQDGF-JSGCOSHPSA-N 2 1 285.388 -0.421 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000638103391 357418506 /nfs/dbraw/zinc/41/85/06/357418506.db2.gz MNWQZKWDBZXVRM-NDBYEHHHSA-N 2 1 283.372 -0.840 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000638103393 357418594 /nfs/dbraw/zinc/41/85/94/357418594.db2.gz MNWQZKWDBZXVRM-XQHKEYJVSA-N 2 1 283.372 -0.840 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)CN2CC[NH2+]CC2)n1C ZINC000638111150 357420831 /nfs/dbraw/zinc/42/08/31/357420831.db2.gz RRYOFBDBTRLPPR-UHFFFAOYSA-N 2 1 280.376 -0.993 20 0 CBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])C2)CC1 ZINC000638116872 357421103 /nfs/dbraw/zinc/42/11/03/357421103.db2.gz MCPASBDFHFCYQO-FPMFFAJLSA-N 2 1 296.415 -0.613 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])C2)CC1 ZINC000638116872 357421106 /nfs/dbraw/zinc/42/11/06/357421106.db2.gz MCPASBDFHFCYQO-FPMFFAJLSA-N 2 1 296.415 -0.613 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638122085 357422174 /nfs/dbraw/zinc/42/21/74/357422174.db2.gz HTMQVSAQRRQJOM-OCCSQVGLSA-N 2 1 287.404 -0.162 20 0 CBADMP CN(C)c1cc(NC(=O)CN2CC[NH2+]CC2)cc[nH+]1 ZINC000638130814 357423106 /nfs/dbraw/zinc/42/31/06/357423106.db2.gz AJPRVXFNHCKUMW-UHFFFAOYSA-N 2 1 263.345 -0.009 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000638134938 357423729 /nfs/dbraw/zinc/42/37/29/357423729.db2.gz QNPMKKGYQCDZSC-NEPJUHHUSA-N 2 1 266.389 -0.367 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCC[NH+]2CCN(C)CC2)C1 ZINC000638137256 357424117 /nfs/dbraw/zinc/42/41/17/357424117.db2.gz SKYPZQKZDWDHPJ-DZGCQCFKSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000638134943 357424381 /nfs/dbraw/zinc/42/43/81/357424381.db2.gz QNPMKKGYQCDZSC-RYUDHWBXSA-N 2 1 266.389 -0.367 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC2)C1 ZINC000638139213 357425282 /nfs/dbraw/zinc/42/52/82/357425282.db2.gz KEQUTNGIUUFPBT-MELADBBJSA-N 2 1 296.415 -0.659 20 0 CBADMP COC[C@]1(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCCC[NH2+]1 ZINC000638138417 357425361 /nfs/dbraw/zinc/42/53/61/357425361.db2.gz ARAMFOZPGSSLMT-ZFWWWQNUSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638142413 357425799 /nfs/dbraw/zinc/42/57/99/357425799.db2.gz ZSIXDJSJENZVQW-AAEUAGOBSA-N 2 1 266.389 -0.214 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638142415 357426652 /nfs/dbraw/zinc/42/66/52/357426652.db2.gz ZSIXDJSJENZVQW-WCQYABFASA-N 2 1 266.389 -0.214 20 0 CBADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000638169884 357430037 /nfs/dbraw/zinc/43/00/37/357430037.db2.gz MXUORNVDHWLAOU-DGCLKSJQSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CCCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638170900 357430209 /nfs/dbraw/zinc/43/02/09/357430209.db2.gz RWGDTYJOQPIDNV-CYBMUJFWSA-N 2 1 255.362 -0.094 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000638170936 357430660 /nfs/dbraw/zinc/43/06/60/357430660.db2.gz ILFBXJHFRQRGNM-GRYCIOLGSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@H]([NH3+])CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000638174225 357432006 /nfs/dbraw/zinc/43/20/06/357432006.db2.gz PCUDJIMCBCKMQK-QWRGUYRKSA-N 2 1 268.361 -0.854 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000638222534 357435842 /nfs/dbraw/zinc/43/58/42/357435842.db2.gz OARBFOCUGOZFAW-QWRGUYRKSA-N 2 1 265.361 -0.109 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)O1 ZINC000638226408 357437196 /nfs/dbraw/zinc/43/71/96/357437196.db2.gz GDLWZGGTVMVILE-MCIONIFRSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)O1 ZINC000638226408 357437202 /nfs/dbraw/zinc/43/72/02/357437202.db2.gz GDLWZGGTVMVILE-MCIONIFRSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC000637867676 357380330 /nfs/dbraw/zinc/38/03/30/357380330.db2.gz UMKHXXBKVVGXSM-DDHJBXDOSA-N 2 1 271.361 -0.720 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC000637867676 357380335 /nfs/dbraw/zinc/38/03/35/357380335.db2.gz UMKHXXBKVVGXSM-DDHJBXDOSA-N 2 1 271.361 -0.720 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC000637867682 357380431 /nfs/dbraw/zinc/38/04/31/357380431.db2.gz UMKHXXBKVVGXSM-NOOOWODRSA-N 2 1 271.361 -0.720 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC000637867682 357380434 /nfs/dbraw/zinc/38/04/34/357380434.db2.gz UMKHXXBKVVGXSM-NOOOWODRSA-N 2 1 271.361 -0.720 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000638572020 357495826 /nfs/dbraw/zinc/49/58/26/357495826.db2.gz DKLBANMYGJWVLV-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000638572020 357495829 /nfs/dbraw/zinc/49/58/29/357495829.db2.gz DKLBANMYGJWVLV-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638274368 357447913 /nfs/dbraw/zinc/44/79/13/357447913.db2.gz NQYCCMSRAQHNFX-DZGCQCFKSA-N 2 1 299.415 -0.066 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CN1CC[NH2+]CC1 ZINC000638285850 357451831 /nfs/dbraw/zinc/45/18/31/357451831.db2.gz YZGFKHBZWRFXSQ-CYBMUJFWSA-N 2 1 268.405 -0.310 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638304508 357454500 /nfs/dbraw/zinc/45/45/00/357454500.db2.gz QODKGEKXGNUIGB-CYBMUJFWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H](CNC(=O)CN1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638396037 357468597 /nfs/dbraw/zinc/46/85/97/357468597.db2.gz HEBJLAGUAYRJQH-MELADBBJSA-N 2 1 298.431 -0.495 20 0 CBADMP C[C@@H](CNC(=O)CN1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638396037 357468599 /nfs/dbraw/zinc/46/85/99/357468599.db2.gz HEBJLAGUAYRJQH-MELADBBJSA-N 2 1 298.431 -0.495 20 0 CBADMP CC[NH2+][C@H](C)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000638424724 357474130 /nfs/dbraw/zinc/47/41/30/357474130.db2.gz IXURGVYGSWMGCR-NEPJUHHUSA-N 2 1 254.378 -0.510 20 0 CBADMP O=C(CCC1C[NH2+]C1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000638425163 357474359 /nfs/dbraw/zinc/47/43/59/357474359.db2.gz LKSNPMDTAOYLON-ZDUSSCGKSA-N 2 1 266.389 -0.508 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638425554 357474717 /nfs/dbraw/zinc/47/47/17/357474717.db2.gz NFWUJOHHOHOQEJ-AAEUAGOBSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000638499078 357488356 /nfs/dbraw/zinc/48/83/56/357488356.db2.gz XTSHZHQMVJFYTA-XQQFMLRXSA-N 2 1 296.415 -0.170 20 0 CBADMP CCN(CC[NH3+])C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000638517395 357492853 /nfs/dbraw/zinc/49/28/53/357492853.db2.gz UNSVYBZHSYFZHR-VIFPVBQESA-N 2 1 251.334 -0.093 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000638550938 357494251 /nfs/dbraw/zinc/49/42/51/357494251.db2.gz MFZYEDCKSSDNQL-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP CC(C)(O)C[NH+]1CCC(NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000639357058 357569603 /nfs/dbraw/zinc/56/96/03/357569603.db2.gz KUAMQQMXGOMJDQ-AWEZNQCLSA-N 2 1 285.432 -0.122 20 0 CBADMP CC(C)(O)C[NH+]1CCC([NH2+]CCN2CC[C@H](O)C2)CC1 ZINC000639357058 357569609 /nfs/dbraw/zinc/56/96/09/357569609.db2.gz KUAMQQMXGOMJDQ-AWEZNQCLSA-N 2 1 285.432 -0.122 20 0 CBADMP C[C@H](C(=O)N(C)CCOCC[NH3+])N1CC[NH+](C)CC1 ZINC000638674417 357519260 /nfs/dbraw/zinc/51/92/60/357519260.db2.gz JKMUPIRFHLSCMF-GFCCVEGCSA-N 2 1 272.393 -0.944 20 0 CBADMP C[C@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)N1CC[NH+](C)CC1 ZINC000638767810 357527345 /nfs/dbraw/zinc/52/73/45/357527345.db2.gz LQINCOFRGGIFEJ-QJPTWQEYSA-N 2 1 254.378 -0.511 20 0 CBADMP CC(C)(O)C[NH+]1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC000638842678 357535631 /nfs/dbraw/zinc/53/56/31/357535631.db2.gz YGBHKKGFDSIZQQ-UHFFFAOYSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H](C(=O)N1C[C@H]([NH3+])C[C@H]1C)N1CC[NH+](C)CC1 ZINC000638929531 357545008 /nfs/dbraw/zinc/54/50/08/357545008.db2.gz BWYINRWIBRLVAQ-IJLUTSLNSA-N 2 1 254.378 -0.430 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638933712 357546233 /nfs/dbraw/zinc/54/62/33/357546233.db2.gz ZDMZJLCCVQMHEX-STQMWFEESA-N 2 1 287.404 -0.081 20 0 CBADMP CC(C)[C@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[N@H+]1C ZINC000639018572 357552673 /nfs/dbraw/zinc/55/26/73/357552673.db2.gz OFQSBIYTSRHTPU-CYBMUJFWSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000639164345 357560748 /nfs/dbraw/zinc/56/07/48/357560748.db2.gz NSLPZIXGSRBKCK-WDEREUQCSA-N 2 1 278.422 -0.545 20 0 CBADMP C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000639164345 357560752 /nfs/dbraw/zinc/56/07/52/357560752.db2.gz NSLPZIXGSRBKCK-WDEREUQCSA-N 2 1 278.422 -0.545 20 0 CBADMP CO[C@@]1(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)CCOC1 ZINC000639287218 357565184 /nfs/dbraw/zinc/56/51/84/357565184.db2.gz BBZWUFVPUBXDKO-CQSZACIVSA-N 2 1 285.388 -0.502 20 0 CBADMP CO[C@@]1(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)CCOC1 ZINC000639287218 357565187 /nfs/dbraw/zinc/56/51/87/357565187.db2.gz BBZWUFVPUBXDKO-CQSZACIVSA-N 2 1 285.388 -0.502 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000639762443 357596248 /nfs/dbraw/zinc/59/62/48/357596248.db2.gz MBLUQZSRBNMWHG-CQSZACIVSA-N 2 1 298.387 -0.683 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000639762443 357596253 /nfs/dbraw/zinc/59/62/53/357596253.db2.gz MBLUQZSRBNMWHG-CQSZACIVSA-N 2 1 298.387 -0.683 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC[C@H]2CCNC2=O)C1 ZINC000639769284 357597345 /nfs/dbraw/zinc/59/73/45/357597345.db2.gz XHWBTFOHPXVOKT-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC[C@@H]2CCNC2=O)C1 ZINC000639769278 357597584 /nfs/dbraw/zinc/59/75/84/357597584.db2.gz XHWBTFOHPXVOKT-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639843019 357603293 /nfs/dbraw/zinc/60/32/93/357603293.db2.gz CMBICLQYUZDGPD-AGIUHOORSA-N 2 1 296.415 -0.232 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@@H]1CO ZINC000639868199 357614593 /nfs/dbraw/zinc/61/45/93/357614593.db2.gz SOEHRJILLQNHAG-CHWSQXEVSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@@H]1CO ZINC000639868199 357614597 /nfs/dbraw/zinc/61/45/97/357614597.db2.gz SOEHRJILLQNHAG-CHWSQXEVSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@H+](C)C[C@@H]1CO ZINC000639868199 357614600 /nfs/dbraw/zinc/61/46/00/357614600.db2.gz SOEHRJILLQNHAG-CHWSQXEVSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)C[C@@H]1CO ZINC000639868199 357614605 /nfs/dbraw/zinc/61/46/05/357614605.db2.gz SOEHRJILLQNHAG-CHWSQXEVSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945034 357619633 /nfs/dbraw/zinc/61/96/33/357619633.db2.gz RCBIGWLBHMXWLZ-CQDKDKBSSA-N 2 1 297.399 -0.328 20 0 CBADMP CC[N@H+](C)C[C@@H](O)CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051199 357632603 /nfs/dbraw/zinc/63/26/03/357632603.db2.gz LDXKSUGVAZTKNV-CYBMUJFWSA-N 2 1 286.420 -0.995 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051199 357632609 /nfs/dbraw/zinc/63/26/09/357632609.db2.gz LDXKSUGVAZTKNV-CYBMUJFWSA-N 2 1 286.420 -0.995 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641222627 357681809 /nfs/dbraw/zinc/68/18/09/357681809.db2.gz MSLZEMJQAQRVKF-CQSZACIVSA-N 2 1 296.419 -0.662 20 0 CBADMP Cn1cncc1CC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000641796984 357743266 /nfs/dbraw/zinc/74/32/66/357743266.db2.gz ONZFBYZEYQTTOY-LBPRGKRZSA-N 2 1 279.388 -0.251 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000641805063 357743811 /nfs/dbraw/zinc/74/38/11/357743811.db2.gz MMNXOFBVXGCPDV-AGIUHOORSA-N 2 1 296.415 -0.171 20 0 CBADMP CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641807948 357743978 /nfs/dbraw/zinc/74/39/78/357743978.db2.gz WCPHPNMMMQDHQN-GHMZBOCLSA-N 2 1 284.404 -0.314 20 0 CBADMP CCCNC(=O)CN(C)C(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641807949 357744388 /nfs/dbraw/zinc/74/43/88/357744388.db2.gz WCPHPNMMMQDHQN-MNOVXSKESA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641824398 357745521 /nfs/dbraw/zinc/74/55/21/357745521.db2.gz IKLCNUGMOKQLLG-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641824398 357745523 /nfs/dbraw/zinc/74/55/23/357745523.db2.gz IKLCNUGMOKQLLG-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1(C)C ZINC000641823849 357745608 /nfs/dbraw/zinc/74/56/08/357745608.db2.gz BFGNBEMQBNCPGA-LLVKDONJSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1(C)C ZINC000641823849 357745609 /nfs/dbraw/zinc/74/56/09/357745609.db2.gz BFGNBEMQBNCPGA-LLVKDONJSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1(C)C ZINC000641824032 357745631 /nfs/dbraw/zinc/74/56/31/357745631.db2.gz DHAZSNLRYSKDDU-NSHDSACASA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1(C)C ZINC000641824032 357745632 /nfs/dbraw/zinc/74/56/32/357745632.db2.gz DHAZSNLRYSKDDU-NSHDSACASA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641824397 357745665 /nfs/dbraw/zinc/74/56/65/357745665.db2.gz IKLCNUGMOKQLLG-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641824397 357745666 /nfs/dbraw/zinc/74/56/66/357745666.db2.gz IKLCNUGMOKQLLG-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000641824407 357746362 /nfs/dbraw/zinc/74/63/62/357746362.db2.gz IMXQXXYLRGCNPE-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000641824407 357746366 /nfs/dbraw/zinc/74/63/66/357746366.db2.gz IMXQXXYLRGCNPE-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000641825938 357746651 /nfs/dbraw/zinc/74/66/51/357746651.db2.gz ZUYHEGRYKDKPQR-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000641825938 357746654 /nfs/dbraw/zinc/74/66/54/357746654.db2.gz ZUYHEGRYKDKPQR-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1(C)C ZINC000641825626 357746706 /nfs/dbraw/zinc/74/67/06/357746706.db2.gz UZSMHMHIJSUOCP-OAHLLOKOSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1(C)C ZINC000641825626 357746710 /nfs/dbraw/zinc/74/67/10/357746710.db2.gz UZSMHMHIJSUOCP-OAHLLOKOSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000641937784 357749179 /nfs/dbraw/zinc/74/91/79/357749179.db2.gz KPIPIKICRUEUBA-QWRGUYRKSA-N 2 1 272.393 -0.180 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000642256995 357751895 /nfs/dbraw/zinc/75/18/95/357751895.db2.gz FEYUIBMODNDXHD-GFCCVEGCSA-N 2 1 292.383 -0.302 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)C1CC1 ZINC000642403970 357754482 /nfs/dbraw/zinc/75/44/82/357754482.db2.gz NXWRAQGXFANTLK-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)C1CC1 ZINC000642403967 357754581 /nfs/dbraw/zinc/75/45/81/357754581.db2.gz NXWRAQGXFANTLK-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000642535619 357756067 /nfs/dbraw/zinc/75/60/67/357756067.db2.gz RFGQSBAXFLMRPT-RYUDHWBXSA-N 2 1 294.399 -0.402 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C[N@H+]1C1CC1 ZINC000642718121 357758660 /nfs/dbraw/zinc/75/86/60/357758660.db2.gz IUGOQUNCRGIRAZ-JQWIXIFHSA-N 2 1 294.399 -0.404 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000642718196 357758999 /nfs/dbraw/zinc/75/89/99/357758999.db2.gz RTXTUUTUGQHASU-QJPTWQEYSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000642731667 357760488 /nfs/dbraw/zinc/76/04/88/357760488.db2.gz DHUSBUKYKYCTOO-ONGXEEELSA-N 2 1 298.412 -0.070 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000642732137 357760579 /nfs/dbraw/zinc/76/05/79/357760579.db2.gz FCCHEUXBPOHERP-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)[N@@H+](C)C1CC1 ZINC000642773304 357761232 /nfs/dbraw/zinc/76/12/32/357761232.db2.gz LRGJDVQIOKZMKS-SNVBAGLBSA-N 2 1 282.388 -0.547 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642786033 357762324 /nfs/dbraw/zinc/76/23/24/357762324.db2.gz XWVFNKUCGIZXOC-OLZOCXBDSA-N 2 1 294.399 -0.545 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH2+]CC1 ZINC000642785927 357762679 /nfs/dbraw/zinc/76/26/79/357762679.db2.gz RCNPPEPJRRANFB-GFCCVEGCSA-N 2 1 280.372 -0.981 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642786032 357762693 /nfs/dbraw/zinc/76/26/93/357762693.db2.gz XWVFNKUCGIZXOC-CHWSQXEVSA-N 2 1 294.399 -0.545 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785666 357762702 /nfs/dbraw/zinc/76/27/02/357762702.db2.gz CJQYMWLIZDVBLC-QWHCGFSZSA-N 2 1 294.399 -0.463 20 0 CBADMP O=C(NCC[NH2+]C1CC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785635 357762710 /nfs/dbraw/zinc/76/27/10/357762710.db2.gz ALMHKEZSHVJXPW-ZDUSSCGKSA-N 2 1 294.399 -0.545 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC[NH2+]CC1 ZINC000642785792 357762737 /nfs/dbraw/zinc/76/27/37/357762737.db2.gz KVPJYMSWAOJTQN-ZDUSSCGKSA-N 2 1 294.399 -0.591 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785719 357762760 /nfs/dbraw/zinc/76/27/60/357762760.db2.gz FBZGZOXSBGVREV-LBPRGKRZSA-N 2 1 282.388 -0.687 20 0 CBADMP [NH3+][C@@H](CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C1CC1 ZINC000642899069 357765877 /nfs/dbraw/zinc/76/58/77/357765877.db2.gz RVWQYAPXHUMHGH-STQMWFEESA-N 2 1 294.399 -0.463 20 0 CBADMP [NH3+][C@@H](CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1)C1CC1 ZINC000642899069 357765878 /nfs/dbraw/zinc/76/58/78/357765878.db2.gz RVWQYAPXHUMHGH-STQMWFEESA-N 2 1 294.399 -0.463 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642903645 357765904 /nfs/dbraw/zinc/76/59/04/357765904.db2.gz MROAWFAEISGABD-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)[NH3+])C[C@@H]1C ZINC000642910575 357768689 /nfs/dbraw/zinc/76/86/89/357768689.db2.gz JCVZWFIPUKFEEO-DCAQKATOSA-N 2 1 270.377 -0.609 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)[NH3+])C[C@@H]1C ZINC000642910575 357768693 /nfs/dbraw/zinc/76/86/93/357768693.db2.gz JCVZWFIPUKFEEO-DCAQKATOSA-N 2 1 270.377 -0.609 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642910828 357768766 /nfs/dbraw/zinc/76/87/66/357768766.db2.gz PBZXQMPEJDLSAL-TUAOUCFPSA-N 2 1 282.388 -0.465 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000642947276 357772005 /nfs/dbraw/zinc/77/20/05/357772005.db2.gz HALCQUIAGJLEMU-GHMZBOCLSA-N 2 1 270.377 -0.704 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000642956705 357773847 /nfs/dbraw/zinc/77/38/47/357773847.db2.gz NHJZNAJNCJZBJE-FRRDWIJNSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[C@@H](NCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000643472324 357784156 /nfs/dbraw/zinc/78/41/56/357784156.db2.gz XMSBQDRBEUNJLH-OLZOCXBDSA-N 2 1 268.405 -0.119 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000128032456 283314361 /nfs/dbraw/zinc/31/43/61/283314361.db2.gz ONOKEOXAWMQZFQ-UHFFFAOYSA-N 2 1 296.415 -0.168 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000294720055 199150196 /nfs/dbraw/zinc/15/01/96/199150196.db2.gz FJBSBOWBPRLOQJ-SSDOTTSWSA-N 2 1 273.287 -0.190 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226343512 283346926 /nfs/dbraw/zinc/34/69/26/283346926.db2.gz WGNQCXZXDARHBX-ZJUUUORDSA-N 2 1 256.350 -0.109 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226343512 283346928 /nfs/dbraw/zinc/34/69/28/283346928.db2.gz WGNQCXZXDARHBX-ZJUUUORDSA-N 2 1 256.350 -0.109 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000419576283 283385263 /nfs/dbraw/zinc/38/52/63/283385263.db2.gz BVXRYKWXXRDFEO-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP COC1(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)CC[NH2+]CC1 ZINC000574086002 334991210 /nfs/dbraw/zinc/99/12/10/334991210.db2.gz LEKRKNBOTGHNQH-GFCCVEGCSA-N 2 1 273.352 -0.085 20 0 CBADMP COC1(C(=O)N2CC[NH2+]C[C@](C)(F)C2)CC[NH2+]CC1 ZINC000574086003 334991370 /nfs/dbraw/zinc/99/13/70/334991370.db2.gz LEKRKNBOTGHNQH-LBPRGKRZSA-N 2 1 273.352 -0.085 20 0 CBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000342519963 216382627 /nfs/dbraw/zinc/38/26/27/216382627.db2.gz ZSIXJDVWWLSYEP-MGPQQGTHSA-N 2 1 282.432 -0.064 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358506415 296056546 /nfs/dbraw/zinc/05/65/46/296056546.db2.gz KAYHDQUUUHELGE-NSHDSACASA-N 2 1 253.346 -0.423 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000361738929 296056553 /nfs/dbraw/zinc/05/65/53/296056553.db2.gz GOKZKASTGZJEEH-XDQVBPFNSA-N 2 1 279.384 -0.083 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000361738929 296056554 /nfs/dbraw/zinc/05/65/54/296056554.db2.gz GOKZKASTGZJEEH-XDQVBPFNSA-N 2 1 279.384 -0.083 20 0 CBADMP C[N@@H+](C[C@@H](O)CNC[C@H]1CCC[NH+]1CCCO)C1CC1 ZINC000576585164 335222339 /nfs/dbraw/zinc/22/23/39/335222339.db2.gz RQGZPTVXZGUNJW-CABCVRRESA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@@H](O)CNC[C@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000576585164 335222340 /nfs/dbraw/zinc/22/23/40/335222340.db2.gz RQGZPTVXZGUNJW-CABCVRRESA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@@H](O)CNC[C@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000576585164 335222341 /nfs/dbraw/zinc/22/23/41/335222341.db2.gz RQGZPTVXZGUNJW-CABCVRRESA-N 2 1 285.432 -0.122 20 0 CBADMP CC[C@@H](Cn1cncn1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000330835415 203293984 /nfs/dbraw/zinc/29/39/84/203293984.db2.gz WTBUOOYELDBHCU-NWDGAFQWSA-N 2 1 253.350 -0.287 20 0 CBADMP CC[C@@H](Cn1cncn1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000330835415 203293986 /nfs/dbraw/zinc/29/39/86/203293986.db2.gz WTBUOOYELDBHCU-NWDGAFQWSA-N 2 1 253.350 -0.287 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000331713074 204098208 /nfs/dbraw/zinc/09/82/08/204098208.db2.gz ZHHIFGGFBDLQAJ-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP C[C@@H]1C[N@H+](CCN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCO1 ZINC000331980678 204357148 /nfs/dbraw/zinc/35/71/48/204357148.db2.gz UKKWOKDMADTKSC-VHDGCEQUSA-N 2 1 293.415 -0.133 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCO1 ZINC000331980678 204357152 /nfs/dbraw/zinc/35/71/52/204357152.db2.gz UKKWOKDMADTKSC-VHDGCEQUSA-N 2 1 293.415 -0.133 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344031802 217018551 /nfs/dbraw/zinc/01/85/51/217018551.db2.gz CYSZVBSJEANSFA-UHFFFAOYSA-N 2 1 287.408 -0.743 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000344471493 217203058 /nfs/dbraw/zinc/20/30/58/217203058.db2.gz JBUXXNLCEZVDBW-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000125144168 372796096 /nfs/dbraw/zinc/79/60/96/372796096.db2.gz KWJGGHHKIDWDNK-ZDUSSCGKSA-N 2 1 290.408 -0.824 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000353425448 220075519 /nfs/dbraw/zinc/07/55/19/220075519.db2.gz KCXDQKRTRJCZLO-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCOCC[N@@H+]1CCN(C(=O)[C@@H](C[NH3+])OC)C[C@H]1CC ZINC000353428356 220076988 /nfs/dbraw/zinc/07/69/88/220076988.db2.gz NBSOVOLLNXQLRJ-CHWSQXEVSA-N 2 1 287.404 -0.081 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)[C@@H](C[NH3+])OC)C[C@H]1CC ZINC000353428356 220076990 /nfs/dbraw/zinc/07/69/90/220076990.db2.gz NBSOVOLLNXQLRJ-CHWSQXEVSA-N 2 1 287.404 -0.081 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000353431912 220077850 /nfs/dbraw/zinc/07/78/50/220077850.db2.gz MPDRYNLZZVMBBN-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000353431912 220077852 /nfs/dbraw/zinc/07/78/52/220077852.db2.gz MPDRYNLZZVMBBN-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000353431912 220077855 /nfs/dbraw/zinc/07/78/55/220077855.db2.gz MPDRYNLZZVMBBN-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000353431912 220077857 /nfs/dbraw/zinc/07/78/57/220077857.db2.gz MPDRYNLZZVMBBN-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000157308944 372808405 /nfs/dbraw/zinc/80/84/05/372808405.db2.gz XLYYMNIGQORCQE-OLZOCXBDSA-N 2 1 268.405 -0.038 20 0 CBADMP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353442588 220085695 /nfs/dbraw/zinc/08/56/95/220085695.db2.gz SKMCNVMIRSVYIF-NSHDSACASA-N 2 1 284.404 -0.231 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000188137250 372847755 /nfs/dbraw/zinc/84/77/55/372847755.db2.gz ZXEXGVCGUKUDCV-VXGBXAGGSA-N 2 1 253.346 -0.329 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000188137250 372847762 /nfs/dbraw/zinc/84/77/62/372847762.db2.gz ZXEXGVCGUKUDCV-VXGBXAGGSA-N 2 1 253.346 -0.329 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000353473765 220102098 /nfs/dbraw/zinc/10/20/98/220102098.db2.gz VFMUCMUTWJYWAJ-GHMZBOCLSA-N 2 1 259.350 -0.813 20 0 CBADMP NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261656372 372905703 /nfs/dbraw/zinc/90/57/03/372905703.db2.gz BIWDPMFVDKXUSF-NSHDSACASA-N 2 1 261.391 -0.261 20 0 CBADMP COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262052760 372908689 /nfs/dbraw/zinc/90/86/89/372908689.db2.gz ZVTDWEILXLJPAI-VXGBXAGGSA-N 2 1 256.346 -0.016 20 0 CBADMP [NH3+]CCC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000262211839 372909571 /nfs/dbraw/zinc/90/95/71/372909571.db2.gz YDHBHNAPYBOPTE-UHFFFAOYSA-N 2 1 292.387 -0.546 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)C[N@H+]1C1CC1 ZINC000333367111 205257698 /nfs/dbraw/zinc/25/76/98/205257698.db2.gz LXVWWDMXXANOPV-WZRBSPASSA-N 2 1 282.388 -0.101 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+](CCO)CCCO)CC1 ZINC000344718407 217288747 /nfs/dbraw/zinc/28/87/47/217288747.db2.gz XVMSEWBJJVBJEY-UHFFFAOYSA-N 2 1 287.404 -0.736 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCO)CCCO)CC1 ZINC000344718407 217288749 /nfs/dbraw/zinc/28/87/49/217288749.db2.gz XVMSEWBJJVBJEY-UHFFFAOYSA-N 2 1 287.404 -0.736 20 0 CBADMP [NH3+][C@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CCC1 ZINC000333324919 373009555 /nfs/dbraw/zinc/00/95/55/373009555.db2.gz VCAGRARYLXYLHL-OCCSQVGLSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[N@@H+](C)C1CC1 ZINC000333458115 205338239 /nfs/dbraw/zinc/33/82/39/205338239.db2.gz YPZVJYJTMQDVAM-USWWRNFRSA-N 2 1 270.377 -0.557 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000342594517 373046727 /nfs/dbraw/zinc/04/67/27/373046727.db2.gz ZPVNOQGDKZOKNA-AGIUHOORSA-N 2 1 268.405 -0.454 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000342594517 373046736 /nfs/dbraw/zinc/04/67/36/373046736.db2.gz ZPVNOQGDKZOKNA-AGIUHOORSA-N 2 1 268.405 -0.454 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000342594517 373046743 /nfs/dbraw/zinc/04/67/43/373046743.db2.gz ZPVNOQGDKZOKNA-AGIUHOORSA-N 2 1 268.405 -0.454 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351558713 373097713 /nfs/dbraw/zinc/09/77/13/373097713.db2.gz SFMMPPDWYLOHLW-NSHDSACASA-N 2 1 270.377 -0.689 20 0 CBADMP CNC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000352364308 373102818 /nfs/dbraw/zinc/10/28/18/373102818.db2.gz BQANLUVXDSNOKL-JSGCOSHPSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@@]1(C)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000352364308 373102826 /nfs/dbraw/zinc/10/28/26/373102826.db2.gz BQANLUVXDSNOKL-JSGCOSHPSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@@]1(C)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000352364308 373102830 /nfs/dbraw/zinc/10/28/30/373102830.db2.gz BQANLUVXDSNOKL-JSGCOSHPSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@@]1(C)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352364308 373102838 /nfs/dbraw/zinc/10/28/38/373102838.db2.gz BQANLUVXDSNOKL-JSGCOSHPSA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000352778433 373107896 /nfs/dbraw/zinc/10/78/96/373107896.db2.gz KTVGPYCQXNCUON-NSHDSACASA-N 2 1 260.382 -0.186 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000353215898 373111029 /nfs/dbraw/zinc/11/10/29/373111029.db2.gz UURMDWAOXYSRQV-UHFFFAOYSA-N 2 1 268.361 -0.900 20 0 CBADMP CCC[N@H+](C)CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000355587351 373134667 /nfs/dbraw/zinc/13/46/67/373134667.db2.gz PTPIWEWYDYTINF-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000355587351 373134671 /nfs/dbraw/zinc/13/46/71/373134671.db2.gz PTPIWEWYDYTINF-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358499433 373171725 /nfs/dbraw/zinc/17/17/25/373171725.db2.gz OHJGHDYTMIGMFC-UHFFFAOYSA-N 2 1 254.334 -0.483 20 0 CBADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H](C(N)=O)O1 ZINC000359200737 373175153 /nfs/dbraw/zinc/17/51/53/373175153.db2.gz GXJRCDWQWQJJHN-PWSUYJOCSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC000361403780 373290051 /nfs/dbraw/zinc/29/00/51/373290051.db2.gz GIDHITMCIQXIJR-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC000361403780 373290055 /nfs/dbraw/zinc/29/00/55/373290055.db2.gz GIDHITMCIQXIJR-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000361554487 373306202 /nfs/dbraw/zinc/30/62/02/373306202.db2.gz TVIJKFNBDPJEOP-HNNXBMFYSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000361555613 373307595 /nfs/dbraw/zinc/30/75/95/373307595.db2.gz BKYAPUYRIPKAIV-WFASDCNBSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000361555613 373307599 /nfs/dbraw/zinc/30/75/99/373307599.db2.gz BKYAPUYRIPKAIV-WFASDCNBSA-N 2 1 296.415 -0.264 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)c2ccnc(C[NH3+])c2)C1 ZINC000361627686 373321165 /nfs/dbraw/zinc/32/11/65/373321165.db2.gz OVXJKTQEMRVHHL-LBPRGKRZSA-N 2 1 278.356 -0.009 20 0 CBADMP CCC[NH+]1CCC(CNC(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353597339 220181398 /nfs/dbraw/zinc/18/13/98/220181398.db2.gz LDOGYYCAASKQPP-LLVKDONJSA-N 2 1 270.377 -0.573 20 0 CBADMP CCC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000353600694 220182784 /nfs/dbraw/zinc/18/27/84/220182784.db2.gz XNXIUCFRTHEVBV-RYUDHWBXSA-N 2 1 284.404 -0.183 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353599583 220184114 /nfs/dbraw/zinc/18/41/14/220184114.db2.gz TZEMAHHVMPEYAQ-NEPJUHHUSA-N 2 1 284.404 -0.327 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353599588 220184482 /nfs/dbraw/zinc/18/44/82/220184482.db2.gz TZEMAHHVMPEYAQ-VXGBXAGGSA-N 2 1 284.404 -0.327 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000362069622 373363844 /nfs/dbraw/zinc/36/38/44/373363844.db2.gz UPUJZEWRJJOXNS-KGLIPLIRSA-N 2 1 297.447 -0.175 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000362069623 373363983 /nfs/dbraw/zinc/36/39/83/373363983.db2.gz UPUJZEWRJJOXNS-UONOGXRCSA-N 2 1 297.447 -0.175 20 0 CBADMP C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000362069953 373364810 /nfs/dbraw/zinc/36/48/10/373364810.db2.gz WEGSHKWDMAFYFL-CQSZACIVSA-N 2 1 280.416 -0.166 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362501876 373417341 /nfs/dbraw/zinc/41/73/41/373417341.db2.gz XECKLZLNDCAKOJ-AAEUAGOBSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362501876 373417347 /nfs/dbraw/zinc/41/73/47/373417347.db2.gz XECKLZLNDCAKOJ-AAEUAGOBSA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000362516572 373420689 /nfs/dbraw/zinc/42/06/89/373420689.db2.gz QRPHYAKBAPTAQY-OLZOCXBDSA-N 2 1 268.405 -0.452 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000362763873 373445022 /nfs/dbraw/zinc/44/50/22/373445022.db2.gz WZWRGWHMEUCJQX-HZSPNIEDSA-N 2 1 282.432 -0.064 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000362868559 373457670 /nfs/dbraw/zinc/45/76/70/373457670.db2.gz QFRRDAWNTQQXIM-VXGBXAGGSA-N 2 1 269.389 -0.243 20 0 CBADMP CCN1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1=O ZINC000391608062 373581008 /nfs/dbraw/zinc/58/10/08/373581008.db2.gz VPPUVARYCWTROP-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399020670 373583641 /nfs/dbraw/zinc/58/36/41/373583641.db2.gz HYBQESNMEVCBCW-VXGBXAGGSA-N 2 1 254.378 -0.524 20 0 CBADMP CC(C)[C@H](CNC(=O)C1(C)C[NH2+]C1)N1CC[NH+](C)CC1 ZINC000399277495 373583726 /nfs/dbraw/zinc/58/37/26/373583726.db2.gz YNEUAWBGHPJHSK-ZDUSSCGKSA-N 2 1 282.432 -0.016 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)NCCCCC[NH+]1CCCCC1 ZINC000353644168 220216079 /nfs/dbraw/zinc/21/60/79/220216079.db2.gz RTHIYNQKKUYDDU-GFCCVEGCSA-N 2 1 284.404 -0.039 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417437001 373628048 /nfs/dbraw/zinc/62/80/48/373628048.db2.gz GAUYMIZFVYIXDL-QWHCGFSZSA-N 2 1 284.404 -0.185 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000417448053 373628289 /nfs/dbraw/zinc/62/82/89/373628289.db2.gz SRYCLNCTKPQHTF-VXGBXAGGSA-N 2 1 272.393 -0.044 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000417442173 373628621 /nfs/dbraw/zinc/62/86/21/373628621.db2.gz SPKYERWKECOAFD-NWDGAFQWSA-N 2 1 272.393 -0.138 20 0 CBADMP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000418405947 373631811 /nfs/dbraw/zinc/63/18/11/373631811.db2.gz RTNDMBUQXPXNSB-QWHCGFSZSA-N 2 1 284.404 -0.130 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC[N@@H+]1C ZINC000423604180 373657733 /nfs/dbraw/zinc/65/77/33/373657733.db2.gz HWDHUYAYVUOSIV-OLZOCXBDSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC[N@H+]1C ZINC000423604180 373657738 /nfs/dbraw/zinc/65/77/38/373657738.db2.gz HWDHUYAYVUOSIV-OLZOCXBDSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000418699292 373633296 /nfs/dbraw/zinc/63/32/96/373633296.db2.gz DSLSYDPWJXXSND-NNYUYHANSA-N 2 1 272.393 -0.181 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419024903 373635024 /nfs/dbraw/zinc/63/50/24/373635024.db2.gz LGUSZYKCAFWJGZ-AGIUHOORSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)[C@H]1C[NH3+] ZINC000419097554 373635306 /nfs/dbraw/zinc/63/53/06/373635306.db2.gz GANOCSQGQDGDAH-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP 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 373637636 /nfs/dbraw/zinc/63/76/36/373637636.db2.gz ADZFHLSGZASMAZ-FDYHWXHSSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000419412066 373638081 /nfs/dbraw/zinc/63/80/81/373638081.db2.gz QLCZTSSZKDZJTP-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCC[N@H+]1C ZINC000419538914 373639282 /nfs/dbraw/zinc/63/92/82/373639282.db2.gz AKSYXKULUXRDCZ-AGIUHOORSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCC[N@H+]1C ZINC000419556019 373640055 /nfs/dbraw/zinc/64/00/55/373640055.db2.gz JZMJEMYCSROJMA-UTUOFQBUSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419692794 373640114 /nfs/dbraw/zinc/64/01/14/373640114.db2.gz HLEZWZKZQZUNAD-LLVKDONJSA-N 2 1 284.404 -0.170 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419697464 373640939 /nfs/dbraw/zinc/64/09/39/373640939.db2.gz QRVYOISSEHWVQX-VXGBXAGGSA-N 2 1 294.399 -0.402 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000419835323 373641301 /nfs/dbraw/zinc/64/13/01/373641301.db2.gz ACPPJHUZKBMFKZ-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000419835323 373641306 /nfs/dbraw/zinc/64/13/06/373641306.db2.gz ACPPJHUZKBMFKZ-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)NCCC[NH3+] ZINC000419830812 373641718 /nfs/dbraw/zinc/64/17/18/373641718.db2.gz GWRVDPUOIIDJAP-TXEJJXNPSA-N 2 1 284.404 -0.170 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419879660 373643829 /nfs/dbraw/zinc/64/38/29/373643829.db2.gz ZPLZOWVPIKFKIH-STQMWFEESA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419879660 373643840 /nfs/dbraw/zinc/64/38/40/373643840.db2.gz ZPLZOWVPIKFKIH-STQMWFEESA-N 2 1 296.415 -0.362 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]CC)C1 ZINC000419887828 373644623 /nfs/dbraw/zinc/64/46/23/373644623.db2.gz JHHZYYINQCCGSU-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)C(C)C ZINC000420103308 373648452 /nfs/dbraw/zinc/64/84/52/373648452.db2.gz PGIKMFMWANTQAD-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[NH3+])CC[N@@H+]1C ZINC000423385744 373655421 /nfs/dbraw/zinc/65/54/21/373655421.db2.gz RACLTMNIXIEFBV-LLVKDONJSA-N 2 1 270.377 -0.798 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[NH3+])CC[N@H+]1C ZINC000423385744 373655431 /nfs/dbraw/zinc/65/54/31/373655431.db2.gz RACLTMNIXIEFBV-LLVKDONJSA-N 2 1 270.377 -0.798 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000463080929 373695093 /nfs/dbraw/zinc/69/50/93/373695093.db2.gz AQLJPSWFSMFTMK-MRVWCRGKSA-N 2 1 272.389 -0.229 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000516285753 373807711 /nfs/dbraw/zinc/80/77/11/373807711.db2.gz YGNVSCQHRIEEQS-GRYCIOLGSA-N 2 1 255.362 -0.097 20 0 CBADMP COC[C@]1(CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000516293527 373809890 /nfs/dbraw/zinc/80/98/90/373809890.db2.gz IVVFZBRSTXRFHV-UKRRQHHQSA-N 2 1 298.431 -0.493 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000520205852 373828266 /nfs/dbraw/zinc/82/82/66/373828266.db2.gz QRTHWFICNSPJJM-UHFFFAOYSA-N 2 1 268.361 -0.983 20 0 CBADMP COC[C@]1(CNC(=O)[C@H]2CSC[NH2+]2)CCC[NH2+]1 ZINC000515384486 373785859 /nfs/dbraw/zinc/78/58/59/373785859.db2.gz SJRFRVBYRSQYII-MWLCHTKSSA-N 2 1 259.375 -0.466 20 0 CBADMP CCN1CCN(C(=O)[C@@H](C)[NH+]2CC(C)(C(N)=O)C2)CC1 ZINC000515837777 373795557 /nfs/dbraw/zinc/79/55/57/373795557.db2.gz CANKXRILPZXRIX-LLVKDONJSA-N 2 1 282.388 -0.654 20 0 CBADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000521611550 373847157 /nfs/dbraw/zinc/84/71/57/373847157.db2.gz DUKOWINYHBMRDG-YPMHNXCESA-N 2 1 255.362 -0.348 20 0 CBADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000521611550 373847163 /nfs/dbraw/zinc/84/71/63/373847163.db2.gz DUKOWINYHBMRDG-YPMHNXCESA-N 2 1 255.362 -0.348 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000522138413 373862066 /nfs/dbraw/zinc/86/20/66/373862066.db2.gz FNCGCBVNXHTEDG-VXGBXAGGSA-N 2 1 254.378 -0.700 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000522138413 373862074 /nfs/dbraw/zinc/86/20/74/373862074.db2.gz FNCGCBVNXHTEDG-VXGBXAGGSA-N 2 1 254.378 -0.700 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000522138413 373862081 /nfs/dbraw/zinc/86/20/81/373862081.db2.gz FNCGCBVNXHTEDG-VXGBXAGGSA-N 2 1 254.378 -0.700 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000522146739 373862948 /nfs/dbraw/zinc/86/29/48/373862948.db2.gz XUCONPLMUCXOLF-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000522146739 373862955 /nfs/dbraw/zinc/86/29/55/373862955.db2.gz XUCONPLMUCXOLF-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1COCC[NH2+]1 ZINC000529292774 373997731 /nfs/dbraw/zinc/99/77/31/373997731.db2.gz VKDWYXCQTXAPOM-VXGBXAGGSA-N 2 1 282.388 -0.242 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000529368318 374012571 /nfs/dbraw/zinc/01/25/71/374012571.db2.gz SQZVUIRRDWQCNY-CQSZACIVSA-N 2 1 278.356 -0.236 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529376723 374017104 /nfs/dbraw/zinc/01/71/04/374017104.db2.gz SAVPENNNVUKBIJ-FRRDWIJNSA-N 2 1 284.404 -0.044 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529376724 374017494 /nfs/dbraw/zinc/01/74/94/374017494.db2.gz SAVPENNNVUKBIJ-JHJVBQTASA-N 2 1 284.404 -0.044 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529376348 374018400 /nfs/dbraw/zinc/01/84/00/374018400.db2.gz BZNOKDXKTZIWNV-NEPJUHHUSA-N 2 1 270.377 -0.290 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3COCC[NH2+]3)[C@H]2C1 ZINC000529377968 374019601 /nfs/dbraw/zinc/01/96/01/374019601.db2.gz RXFGXUZLWJFNMN-AGIUHOORSA-N 2 1 282.388 -0.290 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000530231708 374068595 /nfs/dbraw/zinc/06/85/95/374068595.db2.gz KYUWVRLTBUDHCV-CQSZACIVSA-N 2 1 296.415 -0.344 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000531435541 374134053 /nfs/dbraw/zinc/13/40/53/374134053.db2.gz VFIYINHKHRUTNR-JSGCOSHPSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000531435541 374134057 /nfs/dbraw/zinc/13/40/57/374134057.db2.gz VFIYINHKHRUTNR-JSGCOSHPSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000551937347 374252069 /nfs/dbraw/zinc/25/20/69/374252069.db2.gz KNGNICHTYVVQES-CYBMUJFWSA-N 2 1 266.389 -0.460 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000551937347 374252076 /nfs/dbraw/zinc/25/20/76/374252076.db2.gz KNGNICHTYVVQES-CYBMUJFWSA-N 2 1 266.389 -0.460 20 0 CBADMP CC[N@@H+](CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C)C1CC1 ZINC000552082388 374261511 /nfs/dbraw/zinc/26/15/11/374261511.db2.gz QTDYEKGXSVPISN-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2(N3CCOCC3)CC2)C1 ZINC000551867781 374246410 /nfs/dbraw/zinc/24/64/10/374246410.db2.gz XMAJFUFXQZITSD-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP CN1CCO[C@@H](C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000555545142 374292306 /nfs/dbraw/zinc/29/23/06/374292306.db2.gz VYLJAXSRMLJKCF-LLVKDONJSA-N 2 1 255.362 -0.130 20 0 CBADMP CN1CCO[C@@H](C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000555545142 374292317 /nfs/dbraw/zinc/29/23/17/374292317.db2.gz VYLJAXSRMLJKCF-LLVKDONJSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+](C)C[C@H](O)CN1CCN(c2[nH+]ccn2C)CC1 ZINC000562477654 374319087 /nfs/dbraw/zinc/31/90/87/374319087.db2.gz OIEZSWWXJIGQSF-ZDUSSCGKSA-N 2 1 281.404 -0.145 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCN(c2[nH+]ccn2C)CC1 ZINC000562477654 374319093 /nfs/dbraw/zinc/31/90/93/374319093.db2.gz OIEZSWWXJIGQSF-ZDUSSCGKSA-N 2 1 281.404 -0.145 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000577769205 374338976 /nfs/dbraw/zinc/33/89/76/374338976.db2.gz CZTIEBFMYDWUEP-TUAOUCFPSA-N 2 1 270.377 -0.555 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC[C@H]21 ZINC000584470994 374375094 /nfs/dbraw/zinc/37/50/94/374375094.db2.gz SERKJCKZHUJQAI-WUHRBBMRSA-N 2 1 267.373 -0.348 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000578000078 374349128 /nfs/dbraw/zinc/34/91/28/374349128.db2.gz QVLUGQAAQRRNKW-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)cn1 ZINC000643778299 374413805 /nfs/dbraw/zinc/41/38/05/374413805.db2.gz UHSNAIUWMMSYSG-OLZOCXBDSA-N 2 1 277.372 -0.198 20 0 CBADMP Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)cn1 ZINC000643778299 374413811 /nfs/dbraw/zinc/41/38/11/374413811.db2.gz UHSNAIUWMMSYSG-OLZOCXBDSA-N 2 1 277.372 -0.198 20 0 CBADMP C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C)[C@H](C)[NH3+] ZINC000644129691 374490487 /nfs/dbraw/zinc/49/04/87/374490487.db2.gz HBTJDDRBDQVJJN-OUAUKWLOSA-N 2 1 265.361 -0.124 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000644543654 374592897 /nfs/dbraw/zinc/59/28/97/374592897.db2.gz GYHQDYDJHUUCTB-RHYQMDGZSA-N 2 1 253.346 -0.426 20 0 CBADMP C[C@@H]([NH2+]C[C@@H](O)CN1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000644562912 374595356 /nfs/dbraw/zinc/59/53/56/374595356.db2.gz IHFGZMRMKNRBKF-GDBMZVCRSA-N 2 1 298.475 -0.085 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC000644563513 374595515 /nfs/dbraw/zinc/59/55/15/374595515.db2.gz UCKRQNSCLPLHRW-VIFPVBQESA-N 2 1 283.294 -0.337 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COCC[NH3+])C1 ZINC000645215253 374651995 /nfs/dbraw/zinc/65/19/95/374651995.db2.gz RDBNFMCQDQUCEY-LBPRGKRZSA-N 2 1 273.377 -0.565 20 0 CBADMP C[NH+](C)C[C@H](CO)NC(=O)CCCC[NH+]1CCOCC1 ZINC000646211276 374757129 /nfs/dbraw/zinc/75/71/29/374757129.db2.gz YUOAPLJBDGKIRC-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)CC[N@H+]1C ZINC000646210613 374758105 /nfs/dbraw/zinc/75/81/05/374758105.db2.gz ANAKWYNQSLBKGM-SRVKXCTJSA-N 2 1 257.378 -0.245 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645951651 374717401 /nfs/dbraw/zinc/71/74/01/374717401.db2.gz VEUJLCYBLUBCSL-WDEREUQCSA-N 2 1 255.362 -0.179 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645966023 374720921 /nfs/dbraw/zinc/72/09/21/374720921.db2.gz OPFMSACKBUKNDF-QWRGUYRKSA-N 2 1 254.378 -0.654 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645966024 374721343 /nfs/dbraw/zinc/72/13/43/374721343.db2.gz OPFMSACKBUKNDF-WDEREUQCSA-N 2 1 254.378 -0.654 20 0 CBADMP C[C@@H](CNC(=O)COCC[NH3+])C[NH+]1CCOCC1 ZINC000646047358 374736792 /nfs/dbraw/zinc/73/67/92/374736792.db2.gz QMCUUJOUALQHCH-NSHDSACASA-N 2 1 259.350 -0.954 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000646351726 374772740 /nfs/dbraw/zinc/77/27/40/374772740.db2.gz CXCUUFXGUCCTCH-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000646390859 374776178 /nfs/dbraw/zinc/77/61/78/374776178.db2.gz NUEUZOIKNOZDAP-UHFFFAOYSA-N 2 1 273.377 -0.469 20 0 CBADMP [NH3+]CCOCC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000646440843 374779602 /nfs/dbraw/zinc/77/96/02/374779602.db2.gz DYOMMORIGCIGIC-QWHCGFSZSA-N 2 1 285.388 -0.279 20 0 CBADMP C[C@@]1(C(=O)NCC[N@H+]2CCCOCC2)CC[NH2+]C1 ZINC000646503560 374782877 /nfs/dbraw/zinc/78/28/77/374782877.db2.gz KUFXEMFQUHNMFD-CYBMUJFWSA-N 2 1 255.362 -0.176 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000647080816 374880669 /nfs/dbraw/zinc/88/06/69/374880669.db2.gz PZNMUHKEOXBVED-CHWSQXEVSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000574573104 335030889 /nfs/dbraw/zinc/03/08/89/335030889.db2.gz QJVZFZWHNJUBLS-RYUDHWBXSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)N1CCNCC1 ZINC000574573104 335030890 /nfs/dbraw/zinc/03/08/90/335030890.db2.gz QJVZFZWHNJUBLS-RYUDHWBXSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)N1CCNCC1 ZINC000574573104 335030892 /nfs/dbraw/zinc/03/08/92/335030892.db2.gz QJVZFZWHNJUBLS-RYUDHWBXSA-N 2 1 254.378 -0.523 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1)Cc1ccccc1 ZINC000262345289 190053744 /nfs/dbraw/zinc/05/37/44/190053744.db2.gz GPGANFXLDIYIHU-UONOGXRCSA-N 2 1 277.368 -0.043 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+]([C@@H](C)CO)CC2)C1 ZINC000356968615 248305488 /nfs/dbraw/zinc/30/54/88/248305488.db2.gz BXNSSKPAEOIPFZ-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[NH+]([C@@H](C)CO)CC2)C1 ZINC000356968615 248305497 /nfs/dbraw/zinc/30/54/97/248305497.db2.gz BXNSSKPAEOIPFZ-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)C1 ZINC000356968615 248305501 /nfs/dbraw/zinc/30/55/01/248305501.db2.gz BXNSSKPAEOIPFZ-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)C1 ZINC000356968615 248305504 /nfs/dbraw/zinc/30/55/04/248305504.db2.gz BXNSSKPAEOIPFZ-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP [NH3+]CCOCC[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000357065421 248315174 /nfs/dbraw/zinc/31/51/74/248315174.db2.gz AJASSWFWEREQFB-UHFFFAOYSA-N 2 1 298.431 -0.408 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCCN(c2cccnn2)CC1 ZINC000357078944 248318493 /nfs/dbraw/zinc/31/84/93/248318493.db2.gz KOLGYABLVCLPEV-UHFFFAOYSA-N 2 1 265.361 -0.036 20 0 CBADMP Cn1cc(CN2CC[NH+](CCOCC[NH3+])CC2)cn1 ZINC000357075368 248319541 /nfs/dbraw/zinc/31/95/41/248319541.db2.gz HHTLUESIQILHGO-UHFFFAOYSA-N 2 1 267.377 -0.487 20 0 CBADMP Cn1cc(N2CC[NH+](CCOCC[NH3+])CC2)cn1 ZINC000357098300 248320816 /nfs/dbraw/zinc/32/08/16/248320816.db2.gz ALWIBYXYVGMUIB-UHFFFAOYSA-N 2 1 253.350 -0.483 20 0 CBADMP C[C@H](C[NH3+])C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000357240093 248337791 /nfs/dbraw/zinc/33/77/91/248337791.db2.gz JEWBFGBOFLASHH-NWDGAFQWSA-N 2 1 256.394 -0.419 20 0 CBADMP COC[C@@H]([NH3+])C(=O)NCCNc1cccc(C)[nH+]1 ZINC000357251353 248339445 /nfs/dbraw/zinc/33/94/45/248339445.db2.gz USAQMNHYJVYYET-SNVBAGLBSA-N 2 1 252.318 -0.108 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000574661210 335038241 /nfs/dbraw/zinc/03/82/41/335038241.db2.gz OZAHFCWKFSLBAL-YPMHNXCESA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)C[NH3+])C[C@@H]1C ZINC000347607538 218290134 /nfs/dbraw/zinc/29/01/34/218290134.db2.gz CBSSKKOKLXTSNO-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000153842524 207383447 /nfs/dbraw/zinc/38/34/47/207383447.db2.gz ZJMRXPFHVWYDTP-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000153842524 207383452 /nfs/dbraw/zinc/38/34/52/207383452.db2.gz ZJMRXPFHVWYDTP-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP C[N@@H+]1CCC[C@H]2C[NH+](CCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000158488689 207390747 /nfs/dbraw/zinc/39/07/47/207390747.db2.gz BEBGYABVDNUOIO-RYUDHWBXSA-N 2 1 280.372 -0.046 20 0 CBADMP C[N@H+]1CCC[C@H]2C[NH+](CCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000158488689 207390752 /nfs/dbraw/zinc/39/07/52/207390752.db2.gz BEBGYABVDNUOIO-RYUDHWBXSA-N 2 1 280.372 -0.046 20 0 CBADMP C[NH+]1CCC[C@H]2C[N@H+](CCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000158488689 207390759 /nfs/dbraw/zinc/39/07/59/207390759.db2.gz BEBGYABVDNUOIO-RYUDHWBXSA-N 2 1 280.372 -0.046 20 0 CBADMP C[NH+]1CCC[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000158488689 207390764 /nfs/dbraw/zinc/39/07/64/207390764.db2.gz BEBGYABVDNUOIO-RYUDHWBXSA-N 2 1 280.372 -0.046 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2CSCN2)C[C@@H]1C ZINC000167981696 207398502 /nfs/dbraw/zinc/39/85/02/207398502.db2.gz PWHCTPYAFKEBOY-HBNTYKKESA-N 2 1 273.402 -0.438 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417756139 207562509 /nfs/dbraw/zinc/56/25/09/207562509.db2.gz RWMQSWOQPJYEII-GDNZZTSVSA-N 2 1 270.377 -0.528 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000423607033 207912510 /nfs/dbraw/zinc/91/25/10/207912510.db2.gz IURHSCMGBRIGNR-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@H]1C ZINC000423391092 207894598 /nfs/dbraw/zinc/89/45/98/207894598.db2.gz PGSSWQZFENELHM-AGIUHOORSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@H]1C ZINC000423391092 207894601 /nfs/dbraw/zinc/89/46/01/207894601.db2.gz PGSSWQZFENELHM-AGIUHOORSA-N 2 1 296.415 -0.123 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000423782184 207942507 /nfs/dbraw/zinc/94/25/07/207942507.db2.gz INLYXEVMQIBHBJ-NEPJUHHUSA-N 2 1 283.372 -0.308 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423653612 207922690 /nfs/dbraw/zinc/92/26/90/207922690.db2.gz ZKCKHQIGZLWYQH-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000427854454 208071598 /nfs/dbraw/zinc/07/15/98/208071598.db2.gz AVXBAKIMWCOKGH-VHSXEESVSA-N 2 1 254.334 -0.532 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCCC[NH2+]C)CC1 ZINC000428124501 208079078 /nfs/dbraw/zinc/07/90/78/208079078.db2.gz KAMYFDQSAJPWJO-UHFFFAOYSA-N 2 1 256.394 -0.260 20 0 CBADMP CC[N@H+]1CCCN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1 ZINC000428686300 208096176 /nfs/dbraw/zinc/09/61/76/208096176.db2.gz BAVZWASZBNWQCG-CQSZACIVSA-N 2 1 297.447 -0.031 20 0 CBADMP CC[NH+]1CCCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000428686300 208096184 /nfs/dbraw/zinc/09/61/84/208096184.db2.gz BAVZWASZBNWQCG-CQSZACIVSA-N 2 1 297.447 -0.031 20 0 CBADMP CC[NH+]1CCCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000428686300 208096191 /nfs/dbraw/zinc/09/61/91/208096191.db2.gz BAVZWASZBNWQCG-CQSZACIVSA-N 2 1 297.447 -0.031 20 0 CBADMP C[C@@H](O)CC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429685533 208127330 /nfs/dbraw/zinc/12/73/30/208127330.db2.gz WUTAZDPSMHSWSH-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@@H](O)CC[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429685533 208127335 /nfs/dbraw/zinc/12/73/35/208127335.db2.gz WUTAZDPSMHSWSH-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@H](O)CC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429685535 208129234 /nfs/dbraw/zinc/12/92/34/208129234.db2.gz WUTAZDPSMHSWSH-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@H](O)CC[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429685535 208129238 /nfs/dbraw/zinc/12/92/38/208129238.db2.gz WUTAZDPSMHSWSH-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCC[C@@H](C)[NH3+])CC1 ZINC000429037345 208108492 /nfs/dbraw/zinc/10/84/92/208108492.db2.gz XGTDHXUAODSJPB-GFCCVEGCSA-N 2 1 256.394 -0.133 20 0 CBADMP CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000429455501 208121162 /nfs/dbraw/zinc/12/11/62/208121162.db2.gz RFEPYPISJJNXHX-RYUDHWBXSA-N 2 1 292.449 -0.251 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000430431976 208160072 /nfs/dbraw/zinc/16/00/72/208160072.db2.gz PIHFOANMQWCFFA-GFCCVEGCSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]([NH3+])C2)C1 ZINC000430618658 208167775 /nfs/dbraw/zinc/16/77/75/208167775.db2.gz VYTBTDYGIHVMCH-ZIAGYGMSSA-N 2 1 298.431 -0.508 20 0 CBADMP [NH3+]CC1CC[NH+](CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000430639279 208168211 /nfs/dbraw/zinc/16/82/11/208168211.db2.gz OWFJGRXKXNZZOK-UHFFFAOYSA-N 2 1 282.388 -0.604 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[C@H]([NH3+])C2)C1 ZINC000430635682 208169122 /nfs/dbraw/zinc/16/91/22/208169122.db2.gz VYTBTDYGIHVMCH-KBPBESRZSA-N 2 1 298.431 -0.508 20 0 CBADMP C[C@H](NC(=O)C[NH+]1CCC(C[NH3+])CC1)C(=O)N(C)C ZINC000430641792 208169647 /nfs/dbraw/zinc/16/96/47/208169647.db2.gz UIDOLTVGKFXVIZ-JTQLQIEISA-N 2 1 270.377 -0.750 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC([NH3+])CC2)CC1 ZINC000430630602 208170463 /nfs/dbraw/zinc/17/04/63/208170463.db2.gz YZKIWOLSMGYXRY-LBPRGKRZSA-N 2 1 268.405 -0.038 20 0 CBADMP C[NH+](C)[C@]1(CNC(=O)[C@H]2COCC[NH2+]2)CCSC1 ZINC000430680119 208171114 /nfs/dbraw/zinc/17/11/14/208171114.db2.gz XMCZUEHGUSROFJ-PWSUYJOCSA-N 2 1 273.402 -0.472 20 0 CBADMP C[NH2+]CC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000430702452 208172073 /nfs/dbraw/zinc/17/20/73/208172073.db2.gz YUVGFWLQOYVGJX-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1C ZINC000430705980 208172122 /nfs/dbraw/zinc/17/21/22/208172122.db2.gz BYQQQCIYBXTMNY-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@H+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1C ZINC000430705980 208172126 /nfs/dbraw/zinc/17/21/26/208172126.db2.gz BYQQQCIYBXTMNY-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP Cc1cccc(NCCNC(=O)COC2C[NH2+]C2)[nH+]1 ZINC000430712698 208175804 /nfs/dbraw/zinc/17/58/04/208175804.db2.gz HZDIKUUWKLZVLZ-UHFFFAOYSA-N 2 1 264.329 -0.093 20 0 CBADMP COC1(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[NH2+]CC1 ZINC000430722555 208176147 /nfs/dbraw/zinc/17/61/47/208176147.db2.gz QGYZLPPNUUEAOY-UHFFFAOYSA-N 2 1 295.387 -0.129 20 0 CBADMP COCC[NH2+]CC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000430720663 208174338 /nfs/dbraw/zinc/17/43/38/208174338.db2.gz NFNZZZATWUHJSI-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)C[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000430741860 208177681 /nfs/dbraw/zinc/17/76/81/208177681.db2.gz FFCHTZBJQULUQA-MJBXVCDLSA-N 2 1 299.415 -0.020 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000430794332 208181412 /nfs/dbraw/zinc/18/14/12/208181412.db2.gz PSTPDJZSEAIFKK-UHFFFAOYSA-N 2 1 284.404 -0.406 20 0 CBADMP CC(C)OCC[NH+]1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000430781310 208181729 /nfs/dbraw/zinc/18/17/29/208181729.db2.gz BSOOPRDGMORCRZ-UHFFFAOYSA-N 2 1 285.388 -0.456 20 0 CBADMP C[C@H]1C[C@H](N(C)C(=O)COC2C[NH2+]C2)CC[N@H+]1C ZINC000430785685 208181945 /nfs/dbraw/zinc/18/19/45/208181945.db2.gz YHLFSTOBZJFYON-WDEREUQCSA-N 2 1 255.362 -0.084 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000430803252 208184899 /nfs/dbraw/zinc/18/48/99/208184899.db2.gz ROKJEMBHFKGGRR-GFCCVEGCSA-N 2 1 282.388 -0.782 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000430878028 208186017 /nfs/dbraw/zinc/18/60/17/208186017.db2.gz LQBDDDJAWJCBPB-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@]1(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC[NH2+]C1 ZINC000430891995 208186218 /nfs/dbraw/zinc/18/62/18/208186218.db2.gz YZIOZUFNQCOZDZ-BXUZGUMPSA-N 2 1 282.388 -0.558 20 0 CBADMP C[NH2+]CCCC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000430892938 208188614 /nfs/dbraw/zinc/18/86/14/208188614.db2.gz HCSDIRWQGAHWPM-LBPRGKRZSA-N 2 1 284.404 -0.310 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000430882891 208188820 /nfs/dbraw/zinc/18/88/20/208188820.db2.gz AMQDAQDCVXHRCZ-QWHCGFSZSA-N 2 1 296.415 -0.168 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000431005694 208194915 /nfs/dbraw/zinc/19/49/15/208194915.db2.gz NRKRMXKLUYABJD-AWEZNQCLSA-N 2 1 298.431 -0.491 20 0 CBADMP C[NH2+]CC1CC[NH+](CC(=O)N[C@H](C)C(=O)N(C)C)CC1 ZINC000430964917 208195343 /nfs/dbraw/zinc/19/53/43/208195343.db2.gz JPWSMGSCIUGBHC-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H](CNC(=O)COC1C[NH2+]C1)C[NH+]1CCOCC1 ZINC000431042550 208203254 /nfs/dbraw/zinc/20/32/54/208203254.db2.gz IONVNWIQWDBIBS-LLVKDONJSA-N 2 1 271.361 -0.941 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2C[NH+](C)CCO2)CCCO1 ZINC000432549307 208228219 /nfs/dbraw/zinc/22/82/19/208228219.db2.gz JEZLQMGWQKWMRU-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2C[NH+](C)CCO2)CCCO1 ZINC000432549307 208228225 /nfs/dbraw/zinc/22/82/25/208228225.db2.gz JEZLQMGWQKWMRU-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC000432549307 208228233 /nfs/dbraw/zinc/22/82/33/208228233.db2.gz JEZLQMGWQKWMRU-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC000432549307 208228240 /nfs/dbraw/zinc/22/82/40/208228240.db2.gz JEZLQMGWQKWMRU-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H]1C[N@H+](CCCNC(=O)[C@@H]2C[NH+](C)CCO2)CCCO1 ZINC000432549306 208228296 /nfs/dbraw/zinc/22/82/96/208228296.db2.gz JEZLQMGWQKWMRU-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H]1C[N@@H+](CCCNC(=O)[C@@H]2C[NH+](C)CCO2)CCCO1 ZINC000432549306 208228300 /nfs/dbraw/zinc/22/83/00/208228300.db2.gz JEZLQMGWQKWMRU-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H]1C[NH+](CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC000432549306 208228306 /nfs/dbraw/zinc/22/83/06/208228306.db2.gz JEZLQMGWQKWMRU-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H]1C[NH+](CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC000432549306 208228310 /nfs/dbraw/zinc/22/83/10/208228310.db2.gz JEZLQMGWQKWMRU-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]([NH3+])CCC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000434692163 208265451 /nfs/dbraw/zinc/26/54/51/208265451.db2.gz WFVLSWIFXRJPIN-GHMZBOCLSA-N 2 1 270.377 -0.430 20 0 CBADMP COCCCS(=O)(=O)NCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442757382 208364526 /nfs/dbraw/zinc/36/45/26/208364526.db2.gz GMGBCIYZAUIDHT-RYUDHWBXSA-N 2 1 293.433 -0.389 20 0 CBADMP COCCCS(=O)(=O)NCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442757382 208364531 /nfs/dbraw/zinc/36/45/31/208364531.db2.gz GMGBCIYZAUIDHT-RYUDHWBXSA-N 2 1 293.433 -0.389 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC[C@H](C)C[NH3+])CC1 ZINC000441616569 208351509 /nfs/dbraw/zinc/35/15/09/208351509.db2.gz UMRVIWQQISUXDC-GFCCVEGCSA-N 2 1 256.394 -0.275 20 0 CBADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)C(=O)N(C)C ZINC000443055343 208378011 /nfs/dbraw/zinc/37/80/11/208378011.db2.gz BGLBQFYRKWNVQD-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+]1CCC(CCNC(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353725284 220284201 /nfs/dbraw/zinc/28/42/01/220284201.db2.gz PSWJHAGQDPMATP-LLVKDONJSA-N 2 1 270.377 -0.573 20 0 CBADMP CC[N@H+]1CCCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000334958504 285214401 /nfs/dbraw/zinc/21/44/01/285214401.db2.gz WTXKHVSWBJYDJU-GDNZZTSVSA-N 2 1 252.362 -0.059 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)NC ZINC000429246184 285251202 /nfs/dbraw/zinc/25/12/02/285251202.db2.gz FTIWCWNSSJPOAY-GFCCVEGCSA-N 2 1 292.449 -0.202 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNC(N)=O ZINC000338095112 285276452 /nfs/dbraw/zinc/27/64/52/285276452.db2.gz VDXMAHQYJNJJEX-LBPRGKRZSA-N 2 1 299.419 -0.471 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000655164640 413030945 /nfs/dbraw/zinc/03/09/45/413030945.db2.gz SNNPKVCPIOLYLS-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000420384041 285304930 /nfs/dbraw/zinc/30/49/30/285304930.db2.gz TXFFJMBIZCEQNJ-FRRDWIJNSA-N 2 1 268.405 -0.182 20 0 CBADMP COC[C@@]1(C(=O)N2CC[N@H+](C)C[C@@H]2C)CC[NH2+]C1 ZINC000261591595 285316596 /nfs/dbraw/zinc/31/65/96/285316596.db2.gz XTWNZIVXFRAVAA-WCQYABFASA-N 2 1 255.362 -0.225 20 0 CBADMP COC[C@@]1(C(=O)N2CC[N@@H+](C)C[C@@H]2C)CC[NH2+]C1 ZINC000261591595 285316600 /nfs/dbraw/zinc/31/66/00/285316600.db2.gz XTWNZIVXFRAVAA-WCQYABFASA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H](C)[NH3+])CC1 ZINC000340184142 285318591 /nfs/dbraw/zinc/31/85/91/285318591.db2.gz PYUZXEACNXOTIP-NWDGAFQWSA-N 2 1 256.394 -0.277 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H](C[NH3+])OC)CC1 ZINC000353511747 285318682 /nfs/dbraw/zinc/31/86/82/285318682.db2.gz KHZKBZJNKPISAT-QWHCGFSZSA-N 2 1 286.420 -0.650 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H](C[NH3+])OC)CC1 ZINC000353511742 285322083 /nfs/dbraw/zinc/32/20/83/285322083.db2.gz KHZKBZJNKPISAT-CHWSQXEVSA-N 2 1 286.420 -0.650 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000377571216 285995649 /nfs/dbraw/zinc/99/56/49/285995649.db2.gz IYIXMPANLYKECN-YUMQZZPRSA-N 2 1 251.277 -0.584 20 0 CBADMP COCCC[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C ZINC000344436701 292337719 /nfs/dbraw/zinc/33/77/19/292337719.db2.gz HTHLDHUTYYWNJK-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C ZINC000344436701 292337721 /nfs/dbraw/zinc/33/77/21/292337721.db2.gz HTHLDHUTYYWNJK-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP C[C@@H](O)C[NH+](C)CC1(C[N@@H+](C)C[C@@H](C)O)COC1 ZINC000361515238 287082081 /nfs/dbraw/zinc/08/20/81/287082081.db2.gz VAFYIBMLXWRLPJ-VXGBXAGGSA-N 2 1 260.378 -0.372 20 0 CBADMP C[C@@H](O)C[NH+](C)CC1(C[N@H+](C)C[C@@H](C)O)COC1 ZINC000361515238 287082084 /nfs/dbraw/zinc/08/20/84/287082084.db2.gz VAFYIBMLXWRLPJ-VXGBXAGGSA-N 2 1 260.378 -0.372 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@@H]1C ZINC000423385784 287088290 /nfs/dbraw/zinc/08/82/90/287088290.db2.gz KUMFAKAOLMTEDM-WDEREUQCSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@@H]1C ZINC000423385784 287088291 /nfs/dbraw/zinc/08/82/91/287088291.db2.gz KUMFAKAOLMTEDM-WDEREUQCSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000105861992 287086631 /nfs/dbraw/zinc/08/66/31/287086631.db2.gz OGMONRTZDITQTC-MNOVXSKESA-N 2 1 257.378 -0.115 20 0 CBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000332092149 287218810 /nfs/dbraw/zinc/21/88/10/287218810.db2.gz BSQMQVNRZAVKMZ-YNEHKIRRSA-N 2 1 294.399 -0.450 20 0 CBADMP CC[NH+]1CCC(NC(=O)CN2CC[NH+](C)CC2)CC1 ZINC000020939644 171281545 /nfs/dbraw/zinc/28/15/45/171281545.db2.gz WXNXKNKQUBOLHM-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662747177 413991239 /nfs/dbraw/zinc/99/12/39/413991239.db2.gz UMGFQEZKQDMJQG-UTUOFQBUSA-N 2 1 255.362 -0.192 20 0 CBADMP C[N@@H+](CCNC(=O)C1(O)C[NH2+]C1)Cc1ccc(F)cc1 ZINC000662750012 413991434 /nfs/dbraw/zinc/99/14/34/413991434.db2.gz QXUXTTVADKUAQV-UHFFFAOYSA-N 2 1 281.331 -0.292 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662754119 413992267 /nfs/dbraw/zinc/99/22/67/413992267.db2.gz DMZOPIWXBFLRBJ-IXOXFDKPSA-N 2 1 267.373 -0.051 20 0 CBADMP CN(C(=O)[C@H]1CC[NH2+]1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900989 414058987 /nfs/dbraw/zinc/05/89/87/414058987.db2.gz QZRLBFKHDNZHCV-ZIAGYGMSSA-N 2 1 280.416 -0.025 20 0 CBADMP CN(C(=O)[C@H]1CC[NH2+]1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900989 414058990 /nfs/dbraw/zinc/05/89/90/414058990.db2.gz QZRLBFKHDNZHCV-ZIAGYGMSSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900536 414059514 /nfs/dbraw/zinc/05/95/14/414059514.db2.gz NCRGZCODKNMEOJ-WCQYABFASA-N 2 1 268.405 -0.040 20 0 CBADMP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900536 414059527 /nfs/dbraw/zinc/05/95/27/414059527.db2.gz NCRGZCODKNMEOJ-WCQYABFASA-N 2 1 268.405 -0.040 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040600326 174350737 /nfs/dbraw/zinc/35/07/37/174350737.db2.gz IKUHAFKXXDBPQU-SNVBAGLBSA-N 2 1 256.350 -0.237 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000044529948 175195130 /nfs/dbraw/zinc/19/51/30/175195130.db2.gz ZEQHWATZFTZLGZ-ZDUSSCGKSA-N 2 1 282.388 -0.652 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000044529948 175195131 /nfs/dbraw/zinc/19/51/31/175195131.db2.gz ZEQHWATZFTZLGZ-ZDUSSCGKSA-N 2 1 282.388 -0.652 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CCCC1 ZINC000071378684 176143455 /nfs/dbraw/zinc/14/34/55/176143455.db2.gz KFZMHIFNSOASKG-NWDGAFQWSA-N 2 1 255.362 -0.300 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCOC)C2)C1 ZINC000073439140 544423302 /nfs/dbraw/zinc/42/33/02/544423302.db2.gz SLWMYVNOGHEFMU-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCOC)C2)C1 ZINC000073439140 544423304 /nfs/dbraw/zinc/42/33/04/544423304.db2.gz SLWMYVNOGHEFMU-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCOC)C2)C1 ZINC000073439140 544423308 /nfs/dbraw/zinc/42/33/08/544423308.db2.gz SLWMYVNOGHEFMU-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCOC)C2)C1 ZINC000073439140 544423313 /nfs/dbraw/zinc/42/33/13/544423313.db2.gz SLWMYVNOGHEFMU-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000094463777 544443847 /nfs/dbraw/zinc/44/38/47/544443847.db2.gz GZFVXSQGJTYAIF-LBPRGKRZSA-N 2 1 280.372 -0.885 20 0 CBADMP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094442492 544444024 /nfs/dbraw/zinc/44/40/24/544444024.db2.gz AGGXFFKBBLKXCU-CYBMUJFWSA-N 2 1 294.399 -0.495 20 0 CBADMP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094442492 544444025 /nfs/dbraw/zinc/44/40/25/544444025.db2.gz AGGXFFKBBLKXCU-CYBMUJFWSA-N 2 1 294.399 -0.495 20 0 CBADMP C[C@@H](CO)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000121247598 544451140 /nfs/dbraw/zinc/45/11/40/544451140.db2.gz RETCSFUIMPNYKQ-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](CO)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000121247598 544451144 /nfs/dbraw/zinc/45/11/44/544451144.db2.gz RETCSFUIMPNYKQ-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CN1CCOCC1 ZINC000226871683 544492436 /nfs/dbraw/zinc/49/24/36/544492436.db2.gz CBQJMKPFAQIDAY-RBSFLKMASA-N 2 1 283.416 -0.104 20 0 CBADMP Cn1cc(CC[N@@H+](C)CCN2CC[NH2+]CC2)cn1 ZINC000226420407 544493164 /nfs/dbraw/zinc/49/31/64/544493164.db2.gz XRWXURKZOUFKDX-UHFFFAOYSA-N 2 1 251.378 -0.200 20 0 CBADMP [NH3+]CCn1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nn1 ZINC000227629823 544494245 /nfs/dbraw/zinc/49/42/45/544494245.db2.gz OIOZEFHXTYXEEA-PWSUYJOCSA-N 2 1 278.360 -0.407 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)c3cn(CC[NH3+])nn3)CC[C@H]21 ZINC000227334178 544494643 /nfs/dbraw/zinc/49/46/43/544494643.db2.gz FYTXDVQKGCIAFT-WCQYABFASA-N 2 1 292.387 -0.207 20 0 CBADMP CC(=O)N[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000228271467 544497414 /nfs/dbraw/zinc/49/74/14/544497414.db2.gz YWRDYTMZEKZMNZ-GFCCVEGCSA-N 2 1 268.361 -0.981 20 0 CBADMP CCC[C@@H]([NH3+])c1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000229969696 544500056 /nfs/dbraw/zinc/50/00/56/544500056.db2.gz XHSYQZNFSCADDH-LLVKDONJSA-N 2 1 280.376 -0.148 20 0 CBADMP Cc1noc(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)n1 ZINC000231890034 544502358 /nfs/dbraw/zinc/50/23/58/544502358.db2.gz BVOKYTGQLLGQOU-NSHDSACASA-N 2 1 254.334 -0.033 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000163180965 544477042 /nfs/dbraw/zinc/47/70/42/544477042.db2.gz HMNZEKLRFQEJLD-WOPDTQHZSA-N 2 1 271.361 -0.718 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000163180965 544477045 /nfs/dbraw/zinc/47/70/45/544477045.db2.gz HMNZEKLRFQEJLD-WOPDTQHZSA-N 2 1 271.361 -0.718 20 0 CBADMP O=C(CN1CC[NH2+]CC1)NCC[NH+]1CCSCC1 ZINC000230936606 544501375 /nfs/dbraw/zinc/50/13/75/544501375.db2.gz XKWRDJCRWRXIHZ-UHFFFAOYSA-N 2 1 272.418 -0.943 20 0 CBADMP O=C(COC1CC[NH2+]CC1)NCC[NH+]1CCSCC1 ZINC000230935827 544501516 /nfs/dbraw/zinc/50/15/16/544501516.db2.gz HXZODVULMHDWCB-UHFFFAOYSA-N 2 1 287.429 -0.080 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000333700531 544544794 /nfs/dbraw/zinc/54/47/94/544544794.db2.gz QUFHDQKRBXYMBD-AVGNSLFASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000333700531 544544797 /nfs/dbraw/zinc/54/47/97/544544797.db2.gz QUFHDQKRBXYMBD-AVGNSLFASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000333700532 544544916 /nfs/dbraw/zinc/54/49/16/544544916.db2.gz QUFHDQKRBXYMBD-FRRDWIJNSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000333700532 544544923 /nfs/dbraw/zinc/54/49/23/544544923.db2.gz QUFHDQKRBXYMBD-FRRDWIJNSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000333700530 544545648 /nfs/dbraw/zinc/54/56/48/544545648.db2.gz QUFHDQKRBXYMBD-AGIUHOORSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000333700530 544545652 /nfs/dbraw/zinc/54/56/52/544545652.db2.gz QUFHDQKRBXYMBD-AGIUHOORSA-N 2 1 284.404 -0.165 20 0 CBADMP COC[C@H](C)OC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000234724634 544502928 /nfs/dbraw/zinc/50/29/28/544502928.db2.gz WGEDLTNXDPNGPQ-RVMXOQNASA-N 2 1 258.362 -0.450 20 0 CBADMP CC[C@H]1C[N@H+](CCN2C(=O)CNC2=O)CC[C@H]1[NH3+] ZINC000251845422 544514141 /nfs/dbraw/zinc/51/41/41/544514141.db2.gz RFCTZUASHJYRHE-VHSXEESVSA-N 2 1 254.334 -0.403 20 0 CBADMP CC[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)CC[C@H]1[NH3+] ZINC000251845422 544514144 /nfs/dbraw/zinc/51/41/44/544514144.db2.gz RFCTZUASHJYRHE-VHSXEESVSA-N 2 1 254.334 -0.403 20 0 CBADMP Cn1cncc1CCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000315148911 544530600 /nfs/dbraw/zinc/53/06/00/544530600.db2.gz XBHBYGQIJSSMPF-UHFFFAOYSA-N 2 1 279.388 -0.284 20 0 CBADMP O=C(CN1CC[NH2+]CC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000037631642 419414493 /nfs/dbraw/zinc/41/44/93/419414493.db2.gz QDGCCLRCNYENGY-STQMWFEESA-N 2 1 266.389 -0.365 20 0 CBADMP CC[C@H]1C[N@H+](CC(=O)N2CCN(C(C)=O)CC2)CC[C@@H]1[NH3+] ZINC000122895079 419491903 /nfs/dbraw/zinc/49/19/03/419491903.db2.gz HZDCWDPDWCJKJW-KBPBESRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@H]1C[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)CC[C@@H]1[NH3+] ZINC000122895079 419491910 /nfs/dbraw/zinc/49/19/10/419491910.db2.gz HZDCWDPDWCJKJW-KBPBESRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](C/C=C\C[N@H+](C)C(C)(C)C(N)=O)C(C)(C)C(N)=O ZINC000660648825 419421009 /nfs/dbraw/zinc/42/10/09/419421009.db2.gz XQKRCZZQDCFFEH-FPLPWBNLSA-N 2 1 284.404 -0.066 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000660704508 419427805 /nfs/dbraw/zinc/42/78/05/419427805.db2.gz OXMNIICQMGGDKX-CYBMUJFWSA-N 2 1 284.404 -0.090 20 0 CBADMP O=C(CN1CC[NH2+]CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044680849 419428279 /nfs/dbraw/zinc/42/82/79/419428279.db2.gz HWYSCADKTJFKAG-NSHDSACASA-N 2 1 252.362 -0.756 20 0 CBADMP NC(=O)C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000053298918 419456844 /nfs/dbraw/zinc/45/68/44/419456844.db2.gz ZRGQUWSVGBJESP-UHFFFAOYSA-N 2 1 282.388 -0.462 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000054340549 419461097 /nfs/dbraw/zinc/46/10/97/419461097.db2.gz GFTFLSJDTVNAQS-RYUDHWBXSA-N 2 1 255.362 -0.096 20 0 CBADMP CC(C)CNC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150715 419467984 /nfs/dbraw/zinc/46/79/84/419467984.db2.gz CIOYJIXCAULLKE-CYBMUJFWSA-N 2 1 270.421 -0.016 20 0 CBADMP CC(C)CNC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150715 419467995 /nfs/dbraw/zinc/46/79/95/419467995.db2.gz CIOYJIXCAULLKE-CYBMUJFWSA-N 2 1 270.421 -0.016 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143613 419470615 /nfs/dbraw/zinc/47/06/15/419470615.db2.gz UZNUSLSSFHQODT-UONOGXRCSA-N 2 1 297.403 -0.461 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000381240308 544574077 /nfs/dbraw/zinc/57/40/77/544574077.db2.gz KGNBFWJNDXPSPY-XQQFMLRXSA-N 2 1 260.378 -0.060 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000381240308 544574081 /nfs/dbraw/zinc/57/40/81/544574081.db2.gz KGNBFWJNDXPSPY-XQQFMLRXSA-N 2 1 260.378 -0.060 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394372384 544578553 /nfs/dbraw/zinc/57/85/53/544578553.db2.gz LGKRFLLNZCAOSP-NWDGAFQWSA-N 2 1 254.378 -0.524 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000386285539 544576045 /nfs/dbraw/zinc/57/60/45/544576045.db2.gz BQCXKDGSJQAPMZ-GRYCIOLGSA-N 2 1 260.378 -0.326 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000386285539 544576047 /nfs/dbraw/zinc/57/60/47/544576047.db2.gz BQCXKDGSJQAPMZ-GRYCIOLGSA-N 2 1 260.378 -0.326 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CCC([NH+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000662150680 419549510 /nfs/dbraw/zinc/54/95/10/419549510.db2.gz ACHBBNZUTMXBBI-HZPDHXFCSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+](C[C@@H](O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000662150680 419549519 /nfs/dbraw/zinc/54/95/19/419549519.db2.gz ACHBBNZUTMXBBI-HZPDHXFCSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+](C[C@@H](O)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000662150680 419549527 /nfs/dbraw/zinc/54/95/27/419549527.db2.gz ACHBBNZUTMXBBI-HZPDHXFCSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+](C)CCC[N@H+](C)CCNc1cc(C(N)=O)ncn1 ZINC000641657507 419553792 /nfs/dbraw/zinc/55/37/92/419553792.db2.gz VVWSATWWOUHWRM-UHFFFAOYSA-N 2 1 280.376 -0.129 20 0 CBADMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(C(N)=O)ncn1 ZINC000641657507 419553800 /nfs/dbraw/zinc/55/38/00/419553800.db2.gz VVWSATWWOUHWRM-UHFFFAOYSA-N 2 1 280.376 -0.129 20 0 CBADMP CCN1CC[C@H]([N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662244505 419558834 /nfs/dbraw/zinc/55/88/34/419558834.db2.gz RAFGYSHIIASIGT-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP CNC(=O)[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252155 419561754 /nfs/dbraw/zinc/56/17/54/419561754.db2.gz KPZGHSLTICUOFZ-WDEREUQCSA-N 2 1 253.346 -0.282 20 0 CBADMP C[N@@H+](CC(=O)NC1CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249575 419563289 /nfs/dbraw/zinc/56/32/89/419563289.db2.gz XFPAXLZOUSBUBL-NSHDSACASA-N 2 1 253.346 -0.282 20 0 CBADMP C[N@H+](CC(=O)NC1CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249575 419563296 /nfs/dbraw/zinc/56/32/96/419563296.db2.gz XFPAXLZOUSBUBL-NSHDSACASA-N 2 1 253.346 -0.282 20 0 CBADMP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256805 419564272 /nfs/dbraw/zinc/56/42/72/419564272.db2.gz KSXNYBZKYMQUKN-WOPDTQHZSA-N 2 1 265.357 -0.140 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000126232771 419495676 /nfs/dbraw/zinc/49/56/76/419495676.db2.gz ISWKAIUSKPKGGJ-JQWIXIFHSA-N 2 1 270.377 -0.704 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000130293116 419497957 /nfs/dbraw/zinc/49/79/57/419497957.db2.gz XKMRLHJLYXBTMP-UONOGXRCSA-N 2 1 297.399 -0.312 20 0 CBADMP O=C(C[NH2+]C1CC1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394379600 544579072 /nfs/dbraw/zinc/57/90/72/544579072.db2.gz DKSLEJUYFLBLFV-LBPRGKRZSA-N 2 1 252.362 -0.756 20 0 CBADMP O=C(C[NH2+]C1CC1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394379599 544579615 /nfs/dbraw/zinc/57/96/15/544579615.db2.gz DKSLEJUYFLBLFV-GFCCVEGCSA-N 2 1 252.362 -0.756 20 0 CBADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259334 419569594 /nfs/dbraw/zinc/56/95/94/419569594.db2.gz VDOCUWHQXKEXFG-QWRGUYRKSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)CC[N@H+]1C[C@H](C)O ZINC000662262180 419570114 /nfs/dbraw/zinc/57/01/14/419570114.db2.gz SDDQMDWTOCGLDW-MJBXVCDLSA-N 2 1 271.405 -0.248 20 0 CBADMP COCCN1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1=O ZINC000662280765 419571205 /nfs/dbraw/zinc/57/12/05/419571205.db2.gz QNPZDGYYSOFPLN-CYBMUJFWSA-N 2 1 297.399 -0.312 20 0 CBADMP COCCN1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1=O ZINC000662280765 419571213 /nfs/dbraw/zinc/57/12/13/419571213.db2.gz QNPZDGYYSOFPLN-CYBMUJFWSA-N 2 1 297.399 -0.312 20 0 CBADMP C[C@H]1C(=O)NCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662280045 419571750 /nfs/dbraw/zinc/57/17/50/419571750.db2.gz XMZBODNTZSGFLV-QWRGUYRKSA-N 2 1 253.346 -0.282 20 0 CBADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000662285284 419571956 /nfs/dbraw/zinc/57/19/56/419571956.db2.gz ITBJDNQMNWFFPH-MWLCHTKSSA-N 2 1 295.305 -0.025 20 0 CBADMP O=C(COC1CC[NH2+]CC1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394397023 544580404 /nfs/dbraw/zinc/58/04/04/544580404.db2.gz BUSJHMSQEGATCP-ZDUSSCGKSA-N 2 1 296.415 -0.739 20 0 CBADMP CN(C)C(=O)NCC[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662281120 419574860 /nfs/dbraw/zinc/57/48/60/419574860.db2.gz SZZKYNCOCKSPKI-NSHDSACASA-N 2 1 270.377 -0.290 20 0 CBADMP [NH3+]C1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CCC1 ZINC000394380053 544580796 /nfs/dbraw/zinc/58/07/96/544580796.db2.gz GGSHMCRVLATOTP-NSHDSACASA-N 2 1 252.362 -0.626 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCCO1 ZINC000662283030 419575791 /nfs/dbraw/zinc/57/57/91/419575791.db2.gz ZQCINTITQDDMLL-RYUDHWBXSA-N 3 1 255.362 -0.443 20 0 CBADMP C[NH2+]CC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000237221653 419577670 /nfs/dbraw/zinc/57/76/70/419577670.db2.gz NDTCKWMBOUVXIS-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC(C)([NH3+])CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394383100 544581164 /nfs/dbraw/zinc/58/11/64/544581164.db2.gz VYMSFNSODJDOQY-NSHDSACASA-N 2 1 254.378 -0.380 20 0 CBADMP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394381428 544581209 /nfs/dbraw/zinc/58/12/09/544581209.db2.gz RTENYEQVCAVWAB-QWHCGFSZSA-N 2 1 298.456 -0.412 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662296609 419580957 /nfs/dbraw/zinc/58/09/57/419580957.db2.gz TZDMDVMBHVIXHM-NEPJUHHUSA-N 2 1 253.350 -0.430 20 0 CBADMP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000662316208 419583346 /nfs/dbraw/zinc/58/33/46/419583346.db2.gz JHWOSFVDMOIDTM-CYBMUJFWSA-N 2 1 283.420 -0.421 20 0 CBADMP [NH3+]C1(CC(=O)NC[C@H]2CN3CCN2CCC3)CCC1 ZINC000394386890 544582034 /nfs/dbraw/zinc/58/20/34/544582034.db2.gz BHEWQNFAAIERFY-LBPRGKRZSA-N 2 1 266.389 -0.236 20 0 CBADMP C[C@@]12COC[C@H]1C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000662310732 419585628 /nfs/dbraw/zinc/58/56/28/419585628.db2.gz MQYKCAXPDVOWBI-TZMCWYRMSA-N 2 1 267.373 -0.223 20 0 CBADMP O=C(C[NH2+]C[C@H]1CCCO1)NCCC[NH+]1CCOCC1 ZINC000237928752 419586884 /nfs/dbraw/zinc/58/68/84/419586884.db2.gz GGTBUMCVKSSYFL-CYBMUJFWSA-N 2 1 285.388 -0.407 20 0 CBADMP Nc1cc[nH+]cc1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394706408 544582919 /nfs/dbraw/zinc/58/29/19/544582919.db2.gz SXPVWJAGWFMHRK-LLVKDONJSA-N 2 1 275.356 -0.386 20 0 CBADMP C[N@@H+](CCN1CCCS1(=O)=O)CC1CC[NH2+]CC1 ZINC000647371686 419593766 /nfs/dbraw/zinc/59/37/66/419593766.db2.gz WLDIIHJHPHXITJ-UHFFFAOYSA-N 2 1 275.418 -0.047 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000647492572 419594554 /nfs/dbraw/zinc/59/45/54/419594554.db2.gz KWYZYPVROFELPX-AWEZNQCLSA-N 3 1 297.447 -0.979 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262682888 419599334 /nfs/dbraw/zinc/59/93/34/419599334.db2.gz YUCDMOMAEHKMAT-IJLUTSLNSA-N 2 1 255.362 -0.036 20 0 CBADMP Cn1cc(CC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cn1 ZINC000311339332 419617990 /nfs/dbraw/zinc/61/79/90/419617990.db2.gz HMYKHNGQVIPIGM-CQSZACIVSA-N 2 1 263.389 -0.058 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000647595065 419619392 /nfs/dbraw/zinc/61/93/92/419619392.db2.gz LMNMSXAWJUUUCC-TUAOUCFPSA-N 2 1 296.415 -0.005 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000647597727 419620064 /nfs/dbraw/zinc/62/00/64/419620064.db2.gz KBNWLWRHXLNOFD-DCAQKATOSA-N 2 1 270.377 -0.561 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@](CO)(OC)C1 ZINC000401813914 544585652 /nfs/dbraw/zinc/58/56/52/544585652.db2.gz WESZBTBGXFYXEF-STQMWFEESA-N 2 1 260.378 -0.228 20 0 CBADMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000401813914 544585657 /nfs/dbraw/zinc/58/56/57/544585657.db2.gz WESZBTBGXFYXEF-STQMWFEESA-N 2 1 260.378 -0.228 20 0 CBADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000401813914 544585661 /nfs/dbraw/zinc/58/56/61/544585661.db2.gz WESZBTBGXFYXEF-STQMWFEESA-N 2 1 260.378 -0.228 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CC[C@@H]3OCC[C@@H]3C2)C1=O ZINC000647600758 419622820 /nfs/dbraw/zinc/62/28/20/419622820.db2.gz HULGSMFBPUEFLK-UPJWGTAASA-N 2 1 295.383 -0.214 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)O1 ZINC000662514017 419625817 /nfs/dbraw/zinc/62/58/17/419625817.db2.gz JHQHJSXLPKNEAP-FVCCEPFGSA-N 2 1 267.373 -0.084 20 0 CBADMP Cc1cnn(CC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000312336856 419625989 /nfs/dbraw/zinc/62/59/89/419625989.db2.gz KDAHSZYWBVWYNY-ZDUSSCGKSA-N 2 1 279.388 -0.022 20 0 CBADMP C[NH+](C)CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000647821811 419661633 /nfs/dbraw/zinc/66/16/33/419661633.db2.gz MQYMVQJMGPQZER-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP C[NH+](C)CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000647821811 419661638 /nfs/dbraw/zinc/66/16/38/419661638.db2.gz MQYMVQJMGPQZER-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP O=C([C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000647824830 419662921 /nfs/dbraw/zinc/66/29/21/419662921.db2.gz YYHCZJUOFSVXLE-KBPBESRZSA-N 3 1 280.416 -0.260 20 0 CBADMP O=C([C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000647824830 419662927 /nfs/dbraw/zinc/66/29/27/419662927.db2.gz YYHCZJUOFSVXLE-KBPBESRZSA-N 2 1 280.416 -0.260 20 0 CBADMP O=C([C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000647824830 419662931 /nfs/dbraw/zinc/66/29/31/419662931.db2.gz YYHCZJUOFSVXLE-KBPBESRZSA-N 2 1 280.416 -0.260 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835182 419664378 /nfs/dbraw/zinc/66/43/78/419664378.db2.gz PZWZLIUNLJFFSM-UONOGXRCSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835182 419664385 /nfs/dbraw/zinc/66/43/85/419664385.db2.gz PZWZLIUNLJFFSM-UONOGXRCSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835183 419665945 /nfs/dbraw/zinc/66/59/45/419665945.db2.gz PZWZLIUNLJFFSM-ZIAGYGMSSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835183 419665947 /nfs/dbraw/zinc/66/59/47/419665947.db2.gz PZWZLIUNLJFFSM-ZIAGYGMSSA-N 2 1 298.431 -0.493 20 0 CBADMP CC(C)N1CC[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000647835970 419666198 /nfs/dbraw/zinc/66/61/98/419666198.db2.gz WWHBAMZZOYOVGB-CYBMUJFWSA-N 2 1 268.405 -0.167 20 0 CBADMP C[NH2+]CCCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662656267 419669039 /nfs/dbraw/zinc/66/90/39/419669039.db2.gz OUEIOPDYAIBSGX-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[C@H](C(=O)N1CC[NH2+]CC1(C)C)N1CC[NH+](C)CC1 ZINC000647841276 419669075 /nfs/dbraw/zinc/66/90/75/419669075.db2.gz FVOKFIIWRCNILD-GFCCVEGCSA-N 2 1 268.405 -0.167 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000647836161 419669753 /nfs/dbraw/zinc/66/97/53/419669753.db2.gz DWCAGLLTVAHWJQ-ZDUSSCGKSA-N 2 1 289.445 -0.352 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000647836161 419669763 /nfs/dbraw/zinc/66/97/63/419669763.db2.gz DWCAGLLTVAHWJQ-ZDUSSCGKSA-N 2 1 289.445 -0.352 20 0 CBADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000662658778 419670106 /nfs/dbraw/zinc/67/01/06/419670106.db2.gz DTKDHFSVYOEGPF-NWDGAFQWSA-N 2 1 271.361 -0.811 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662669220 419676800 /nfs/dbraw/zinc/67/68/00/419676800.db2.gz CAVCUYLLVKOLGQ-NEPJUHHUSA-N 2 1 271.361 -0.859 20 0 CBADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000662672426 419677265 /nfs/dbraw/zinc/67/72/65/419677265.db2.gz AFUAANPXMPPTJQ-NWDGAFQWSA-N 2 1 253.346 -0.343 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662672748 419679471 /nfs/dbraw/zinc/67/94/71/419679471.db2.gz CWYUWNFOKPKPAE-QWHCGFSZSA-N 2 1 285.388 -0.469 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662685880 419680983 /nfs/dbraw/zinc/68/09/83/419680983.db2.gz ZYHVHEBTHDMUHS-VXGBXAGGSA-N 2 1 273.377 -0.565 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662684293 419681519 /nfs/dbraw/zinc/68/15/19/419681519.db2.gz TWHZFPZZSWHKAO-QWKFWESOSA-N 2 1 253.346 -0.343 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662684293 419681522 /nfs/dbraw/zinc/68/15/22/419681522.db2.gz TWHZFPZZSWHKAO-QWKFWESOSA-N 2 1 253.346 -0.343 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662683457 419682588 /nfs/dbraw/zinc/68/25/88/419682588.db2.gz ZOCKHQMQDVWSBC-HAQNSBGRSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC000647878397 419685018 /nfs/dbraw/zinc/68/50/18/419685018.db2.gz BRCSQBPYAAWBHZ-QCNOEVLYSA-N 2 1 255.362 -0.099 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C1(O)C[NH2+]C1 ZINC000662689888 419685358 /nfs/dbraw/zinc/68/53/58/419685358.db2.gz XYPWIEBPECUNLH-VIFPVBQESA-N 2 1 252.318 -0.722 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000337882526 419687893 /nfs/dbraw/zinc/68/78/93/419687893.db2.gz SNSUOXKTSBQSTR-NWDGAFQWSA-N 2 1 282.388 -0.558 20 0 CBADMP O=C1CNCCN1[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647909271 419688422 /nfs/dbraw/zinc/68/84/22/419688422.db2.gz MSEAHOREGKXGQQ-STQMWFEESA-N 3 1 266.389 -0.508 20 0 CBADMP O=C1CNCCN1[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647909271 419688425 /nfs/dbraw/zinc/68/84/25/419688425.db2.gz MSEAHOREGKXGQQ-STQMWFEESA-N 3 1 266.389 -0.508 20 0 CBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662695818 419689692 /nfs/dbraw/zinc/68/96/92/419689692.db2.gz PYQDALUJSWTYJY-NSHDSACASA-N 2 1 269.389 -0.053 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CC2([NH3+])CC2)C1 ZINC000662706441 419695939 /nfs/dbraw/zinc/69/59/39/419695939.db2.gz VWIVPERELPGSNZ-NSHDSACASA-N 2 1 282.388 -0.429 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000662702843 419695986 /nfs/dbraw/zinc/69/59/86/419695986.db2.gz NWBUVHYNCNTJQP-JLLWLGSASA-N 2 1 253.346 -0.297 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662712124 419696750 /nfs/dbraw/zinc/69/67/50/419696750.db2.gz RHFLVSKMGCRNRA-IJLUTSLNSA-N 2 1 255.362 -0.049 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000662717541 419698377 /nfs/dbraw/zinc/69/83/77/419698377.db2.gz OTWYRXIKYDUAKZ-QJPTWQEYSA-N 2 1 255.362 -0.348 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662713327 419698536 /nfs/dbraw/zinc/69/85/36/419698536.db2.gz YWKWCKUUKIZZFT-JHJVBQTASA-N 2 1 285.388 -0.423 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662728198 419700683 /nfs/dbraw/zinc/70/06/83/419700683.db2.gz IUXFCOWVVZKPDP-XYPYZODXSA-N 2 1 282.388 -0.608 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000662719496 419701152 /nfs/dbraw/zinc/70/11/52/419701152.db2.gz DFYIUVHJIPFPES-XQQFMLRXSA-N 2 1 267.373 -0.049 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000647973984 419703229 /nfs/dbraw/zinc/70/32/29/419703229.db2.gz OCYIPJRHQQXLPS-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000662734548 419706965 /nfs/dbraw/zinc/70/69/65/419706965.db2.gz RBAQGJRMAPZERX-MGPQQGTHSA-N 2 1 296.415 -0.754 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662729107 419707553 /nfs/dbraw/zinc/70/75/53/419707553.db2.gz JUQNAHFMEDEMJI-LLVKDONJSA-N 2 1 255.362 -0.585 20 0 CBADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCOCC[NH3+])C1 ZINC000647997500 419708129 /nfs/dbraw/zinc/70/81/29/419708129.db2.gz JDVPZYAXHZHPAN-SNVBAGLBSA-N 2 1 283.294 -0.038 20 0 CBADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000647997604 419708420 /nfs/dbraw/zinc/70/84/20/419708420.db2.gz RVIUUYWENCAGEV-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000647994637 419708930 /nfs/dbraw/zinc/70/89/30/419708930.db2.gz XKNSLFLYAMATHB-STQMWFEESA-N 2 1 295.387 -0.102 20 0 CBADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCOCC[NH3+])C1 ZINC000647997499 419709251 /nfs/dbraw/zinc/70/92/51/419709251.db2.gz JDVPZYAXHZHPAN-JTQLQIEISA-N 2 1 283.294 -0.038 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000662754320 419709863 /nfs/dbraw/zinc/70/98/63/419709863.db2.gz KVPWKAWIAACKPV-GFCCVEGCSA-N 2 1 256.394 -0.262 20 0 CBADMP [NH3+]C1(CC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000662766283 419713899 /nfs/dbraw/zinc/71/38/99/419713899.db2.gz HVNQVEVPQHIEQH-NSHDSACASA-N 2 1 280.372 -0.709 20 0 CBADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CSC[NH2+]1 ZINC000647770011 419652405 /nfs/dbraw/zinc/65/24/05/419652405.db2.gz TZDUWYARMOJNDU-SNVBAGLBSA-N 2 1 258.391 -0.988 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH2+]CC2)CC[N@H+]1C ZINC000647778900 419655767 /nfs/dbraw/zinc/65/57/67/419655767.db2.gz DKVGNUUIXWOAEJ-CHWSQXEVSA-N 2 1 268.405 -0.310 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000340953059 419727802 /nfs/dbraw/zinc/72/78/02/419727802.db2.gz JEZZSXWJHPPRLK-STQMWFEESA-N 2 1 270.421 -0.065 20 0 CBADMP C[C@@H](C(=O)NCC1([NH3+])CCC1)N1CC[NH+](C)CC1 ZINC000648108641 419730096 /nfs/dbraw/zinc/73/00/96/419730096.db2.gz IWXCJRQKKMEZFI-NSHDSACASA-N 2 1 254.378 -0.380 20 0 CBADMP C[C@H](C(=O)NCC1([NH3+])CCC1)N1CC[NH+](C)CC1 ZINC000648108640 419730229 /nfs/dbraw/zinc/73/02/29/419730229.db2.gz IWXCJRQKKMEZFI-LLVKDONJSA-N 2 1 254.378 -0.380 20 0 CBADMP [NH3+]CCn1cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)nn1 ZINC000662835725 419743880 /nfs/dbraw/zinc/74/38/80/419743880.db2.gz RVPGGLGRVAQFRF-AAEUAGOBSA-N 2 1 292.387 -0.017 20 0 CBADMP [NH3+]CCn1cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)nn1 ZINC000662835727 419744091 /nfs/dbraw/zinc/74/40/91/419744091.db2.gz RVPGGLGRVAQFRF-WCQYABFASA-N 2 1 292.387 -0.017 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662836964 419745279 /nfs/dbraw/zinc/74/52/79/419745279.db2.gz FCEVSDWCVBNOSB-QWRGUYRKSA-N 2 1 268.361 -0.806 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662836962 419745948 /nfs/dbraw/zinc/74/59/48/419745948.db2.gz FCEVSDWCVBNOSB-GHMZBOCLSA-N 2 1 268.361 -0.806 20 0 CBADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000648132052 419746517 /nfs/dbraw/zinc/74/65/17/419746517.db2.gz HUNFBISTOZVOHH-AGIUHOORSA-N 2 1 286.395 -0.219 20 0 CBADMP CC1(OCC(=O)N2CC[NH2+]C[C@](C)(F)C2)C[NH2+]C1 ZINC000648144761 419754259 /nfs/dbraw/zinc/75/42/59/419754259.db2.gz SCTVAVMZTYSGGF-NSHDSACASA-N 2 1 259.325 -0.475 20 0 CBADMP C[C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)N1CC[NH+](C)CC1 ZINC000648146956 419756013 /nfs/dbraw/zinc/75/60/13/419756013.db2.gz HNTVBFSVDOZYAV-QWRGUYRKSA-N 2 1 290.358 -0.264 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC000430887916 544593024 /nfs/dbraw/zinc/59/30/24/544593024.db2.gz XULYSNWNEMFWLG-FRRDWIJNSA-N 2 1 296.415 -0.183 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000662942662 419787799 /nfs/dbraw/zinc/78/77/99/419787799.db2.gz YVJLCZYFCZIRET-LBPRGKRZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CCC[NH3+] ZINC000662941970 419787067 /nfs/dbraw/zinc/78/70/67/419787067.db2.gz GHUQEEMASDPRLN-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662942068 419787093 /nfs/dbraw/zinc/78/70/93/419787093.db2.gz CVFUCBVZSNNYHJ-UHFFFAOYSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000648169056 419764113 /nfs/dbraw/zinc/76/41/13/419764113.db2.gz QJSOAGJJHMUEAY-OBJOEFQTSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662906368 419765383 /nfs/dbraw/zinc/76/53/83/419765383.db2.gz IYBLOSGWAOPJHW-NEPJUHHUSA-N 2 1 254.378 -0.510 20 0 CBADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648177272 419765569 /nfs/dbraw/zinc/76/55/69/419765569.db2.gz QJLHMXLAQFGWBK-QSCRHYGLSA-N 2 1 292.427 -0.216 20 0 CBADMP CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662906543 419765764 /nfs/dbraw/zinc/76/57/64/419765764.db2.gz NNAODNZCZZCMQN-NEPJUHHUSA-N 2 1 266.389 -0.510 20 0 CBADMP [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000662908386 419767007 /nfs/dbraw/zinc/76/70/07/419767007.db2.gz UEXAMQDSUOOARM-SRVKXCTJSA-N 2 1 252.362 -0.770 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000648176794 419768354 /nfs/dbraw/zinc/76/83/54/419768354.db2.gz NDUUJHYGZMGPOS-OLZOCXBDSA-N 2 1 276.340 -0.457 20 0 CBADMP CS[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH+](C)C ZINC000344734462 419774663 /nfs/dbraw/zinc/77/46/63/419774663.db2.gz WJBXGSHRLRQTTR-IJLUTSLNSA-N 2 1 287.429 -0.179 20 0 CBADMP CS[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH+](C)C ZINC000344734462 419774671 /nfs/dbraw/zinc/77/46/71/419774671.db2.gz WJBXGSHRLRQTTR-IJLUTSLNSA-N 2 1 287.429 -0.179 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000662939270 419787550 /nfs/dbraw/zinc/78/75/50/419787550.db2.gz NJXDQZUWPKDKOV-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662925035 419778453 /nfs/dbraw/zinc/77/84/53/419778453.db2.gz JCSVDDYMXCBAFZ-GFCCVEGCSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])[C@@H](C)C1 ZINC000662937014 419784476 /nfs/dbraw/zinc/78/44/76/419784476.db2.gz DPSCKWQXICWPMY-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000662776221 419716209 /nfs/dbraw/zinc/71/62/09/419716209.db2.gz IUHBDLWWFIGTMD-MNOVXSKESA-N 2 1 265.361 -0.109 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2(O)CC[NH+](C)CC2)CC[N@H+]1C ZINC000648803768 419807468 /nfs/dbraw/zinc/80/74/68/419807468.db2.gz GNYNATKSHDOYKL-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)CC[N@H+]1C ZINC000648838597 419809739 /nfs/dbraw/zinc/80/97/39/419809739.db2.gz PMHKKQFDAVOKMI-WZRBSPASSA-N 2 1 257.378 -0.245 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000518471631 544601516 /nfs/dbraw/zinc/60/15/16/544601516.db2.gz XBYLKIMXNUIVQO-KGLIPLIRSA-N 2 1 273.421 -0.191 20 0 CBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351496369 419820537 /nfs/dbraw/zinc/82/05/37/419820537.db2.gz RKCUFUGIHDTAEV-SDDRHHMPSA-N 2 1 255.362 -0.192 20 0 CBADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351496369 419820539 /nfs/dbraw/zinc/82/05/39/419820539.db2.gz RKCUFUGIHDTAEV-SDDRHHMPSA-N 2 1 255.362 -0.192 20 0 CBADMP O=C(CCOC1C[NH2+]C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000649278973 419859906 /nfs/dbraw/zinc/85/99/06/419859906.db2.gz PGXLCMCKVKYLSO-CYBMUJFWSA-N 2 1 297.399 -0.312 20 0 CBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000649070054 419832829 /nfs/dbraw/zinc/83/28/29/419832829.db2.gz GPUJFHJMYRWWRE-NEPJUHHUSA-N 2 1 282.388 -0.484 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649276418 419859312 /nfs/dbraw/zinc/85/93/12/419859312.db2.gz XJCSGRRJFUNJPL-GDNZZTSVSA-N 2 1 253.346 -0.710 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649075644 419835924 /nfs/dbraw/zinc/83/59/24/419835924.db2.gz IBCDQBQTMBEBJP-LBPRGKRZSA-N 2 1 284.404 -0.093 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000649274630 419856416 /nfs/dbraw/zinc/85/64/16/419856416.db2.gz SGSYVVRVMKZRNV-ZIAGYGMSSA-N 2 1 298.431 -0.411 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000662943882 419788018 /nfs/dbraw/zinc/78/80/18/419788018.db2.gz CZQKURWPAZNVQD-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]cn2)C[C@H](C)N1 ZINC000662953755 419791855 /nfs/dbraw/zinc/79/18/55/419791855.db2.gz PNJGPOLBYQSCPQ-UWVGGRQHSA-N 2 1 279.344 -0.423 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC000649304789 419870709 /nfs/dbraw/zinc/87/07/09/419870709.db2.gz GOMNMQALCRLAAX-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H](NC(=O)[C@]1(N)CC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000649314748 419879439 /nfs/dbraw/zinc/87/94/39/419879439.db2.gz OBWSADNAKSPXLL-FZMZJTMJSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H](NC(=O)[C@]1([NH3+])CCN(C)C1)C1CC[NH+](C)CC1 ZINC000649314748 419879444 /nfs/dbraw/zinc/87/94/44/419879444.db2.gz OBWSADNAKSPXLL-FZMZJTMJSA-N 2 1 268.405 -0.134 20 0 CBADMP O=C(C[NH2+]C1CC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649320884 419884312 /nfs/dbraw/zinc/88/43/12/419884312.db2.gz DEZLHHGCCLBILA-QWHCGFSZSA-N 2 1 267.373 -0.204 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000649323582 419886948 /nfs/dbraw/zinc/88/69/48/419886948.db2.gz DZOFQZSIRUAQIR-MDZLAQPJSA-N 2 1 253.346 -0.425 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)n1C ZINC000649331785 419891267 /nfs/dbraw/zinc/89/12/67/419891267.db2.gz WWTMFWXDPNOZOI-URLYPYJESA-N 2 1 263.345 -0.432 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)n1C ZINC000649331767 419892996 /nfs/dbraw/zinc/89/29/96/419892996.db2.gz VITAVYFFSSWDSN-IEBDPFPHSA-N 2 1 263.345 -0.147 20 0 CBADMP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000649335674 419893846 /nfs/dbraw/zinc/89/38/46/419893846.db2.gz RBAQGJRMAPZERX-MJBXVCDLSA-N 2 1 296.415 -0.754 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000649334115 419894248 /nfs/dbraw/zinc/89/42/48/419894248.db2.gz KXOKPDMZWHAFNB-SPWCGHHHSA-N 2 1 292.427 -0.264 20 0 CBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000649334115 419894253 /nfs/dbraw/zinc/89/42/53/419894253.db2.gz KXOKPDMZWHAFNB-SPWCGHHHSA-N 2 1 292.427 -0.264 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC2(C)C[NH2+]C2)C1 ZINC000649280966 419860418 /nfs/dbraw/zinc/86/04/18/419860418.db2.gz YSNCYNPBKVWOMO-ZDUSSCGKSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@H](O)CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665761387 544615883 /nfs/dbraw/zinc/61/58/83/544615883.db2.gz BKIZSHBKJUOTDU-RYUDHWBXSA-N 2 1 274.409 -0.062 20 0 CBADMP C[C@H](O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665761387 544615885 /nfs/dbraw/zinc/61/58/85/544615885.db2.gz BKIZSHBKJUOTDU-RYUDHWBXSA-N 2 1 274.409 -0.062 20 0 CBADMP CC(C)[C@@H](CNC(=O)COC1(C)C[NH2+]C1)[NH+]1CCOCC1 ZINC000649284809 419863614 /nfs/dbraw/zinc/86/36/14/419863614.db2.gz AYQMIWVLLZSGDN-CYBMUJFWSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1nccn1C ZINC000667246411 544657651 /nfs/dbraw/zinc/65/76/51/544657651.db2.gz HFGNKDLWTJIYLB-ZYHUDNBSSA-N 2 1 293.371 -0.059 20 0 CBADMP C[C@@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1nccn1C ZINC000667246411 544657656 /nfs/dbraw/zinc/65/76/56/544657656.db2.gz HFGNKDLWTJIYLB-ZYHUDNBSSA-N 2 1 293.371 -0.059 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649350590 419900865 /nfs/dbraw/zinc/90/08/65/419900865.db2.gz RBLGWEOAYWCRBU-UHFFFAOYSA-N 2 1 298.431 -0.491 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000649349368 419901413 /nfs/dbraw/zinc/90/14/13/419901413.db2.gz DBRUUPBTMBNVQT-LBPRGKRZSA-N 2 1 268.405 -0.262 20 0 CBADMP CC[NH+](CC)CCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358691421 419912365 /nfs/dbraw/zinc/91/23/65/419912365.db2.gz YTFZSQIKGIRNGK-CYBMUJFWSA-N 2 1 272.393 -0.306 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491145 544750484 /nfs/dbraw/zinc/75/04/84/544750484.db2.gz NDNIAAZACBUSEU-STQMWFEESA-N 2 1 282.388 -0.242 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H](O)C1CC1 ZINC000669930775 544768490 /nfs/dbraw/zinc/76/84/90/544768490.db2.gz GCDCHKMJAPIMQD-ZDUSSCGKSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H](O)C1CC1 ZINC000669930775 544768493 /nfs/dbraw/zinc/76/84/93/544768493.db2.gz GCDCHKMJAPIMQD-ZDUSSCGKSA-N 2 1 269.389 -0.147 20 0 CBADMP CC(CN1CCOC[C@H](O)C1)C[N@H+]1CCOC[C@H](O)C1 ZINC000664774349 419917532 /nfs/dbraw/zinc/91/75/32/419917532.db2.gz MYGMWHZFHZTZFP-ZIAGYGMSSA-N 2 1 288.388 -0.991 20 0 CBADMP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+]2CCN1CCC2)C1CC1 ZINC000670407931 544786531 /nfs/dbraw/zinc/78/65/31/544786531.db2.gz CTRYZHAHJBURCP-CQSZACIVSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)C1CC1 ZINC000670407931 544786539 /nfs/dbraw/zinc/78/65/39/544786539.db2.gz CTRYZHAHJBURCP-CQSZACIVSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[NH+](CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)C1CC1 ZINC000670407931 544786543 /nfs/dbraw/zinc/78/65/43/544786543.db2.gz CTRYZHAHJBURCP-CQSZACIVSA-N 2 1 280.416 -0.023 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000670408358 544787170 /nfs/dbraw/zinc/78/71/70/544787170.db2.gz MYDANOGEUJVGFX-CYBMUJFWSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670408358 544787173 /nfs/dbraw/zinc/78/71/73/544787173.db2.gz MYDANOGEUJVGFX-CYBMUJFWSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000670408358 544787175 /nfs/dbraw/zinc/78/71/75/544787175.db2.gz MYDANOGEUJVGFX-CYBMUJFWSA-N 2 1 268.405 -0.167 20 0 CBADMP O=C(CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000359274061 419953643 /nfs/dbraw/zinc/95/36/43/419953643.db2.gz AQETZVSJBGYKNT-TXEJJXNPSA-N 2 1 253.346 -0.614 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359285862 419957075 /nfs/dbraw/zinc/95/70/75/419957075.db2.gz WTISFTKZTGQDLW-PHIMTYICSA-N 2 1 261.391 -0.581 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359285862 419957076 /nfs/dbraw/zinc/95/70/76/419957076.db2.gz WTISFTKZTGQDLW-PHIMTYICSA-N 2 1 261.391 -0.581 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000359284238 419957467 /nfs/dbraw/zinc/95/74/67/419957467.db2.gz ZLYKDCDAKCBYSR-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC1(C)NC(=O)N(CCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000359310552 419959909 /nfs/dbraw/zinc/95/99/09/419959909.db2.gz QQCWXKWPOUIWIO-GHMZBOCLSA-N 2 1 280.372 -0.142 20 0 CBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000650876012 419970864 /nfs/dbraw/zinc/97/08/64/419970864.db2.gz NWOIDWVHWVGPMJ-SMDDNHRTSA-N 2 1 294.399 -0.317 20 0 CBADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650876012 419970870 /nfs/dbraw/zinc/97/08/70/419970870.db2.gz NWOIDWVHWVGPMJ-SMDDNHRTSA-N 2 1 294.399 -0.317 20 0 CBADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650876012 419970874 /nfs/dbraw/zinc/97/08/74/419970874.db2.gz NWOIDWVHWVGPMJ-SMDDNHRTSA-N 2 1 294.399 -0.317 20 0 CBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650876012 419970884 /nfs/dbraw/zinc/97/08/84/419970884.db2.gz NWOIDWVHWVGPMJ-SMDDNHRTSA-N 2 1 294.399 -0.317 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CN2CCOCC2)C1 ZINC000359954040 419997015 /nfs/dbraw/zinc/99/70/15/419997015.db2.gz IABXHSMERCLNDK-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CN2CCOCC2)C1 ZINC000359954040 419997018 /nfs/dbraw/zinc/99/70/18/419997018.db2.gz IABXHSMERCLNDK-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCSC1 ZINC000360334169 420015331 /nfs/dbraw/zinc/01/53/31/420015331.db2.gz CDDGWFBSOGCBLN-WCQYABFASA-N 2 1 287.429 -0.130 20 0 CBADMP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCSC1 ZINC000360334169 420015333 /nfs/dbraw/zinc/01/53/33/420015333.db2.gz CDDGWFBSOGCBLN-WCQYABFASA-N 2 1 287.429 -0.130 20 0 CBADMP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)n1 ZINC000361819609 420024369 /nfs/dbraw/zinc/02/43/69/420024369.db2.gz PSWMTVJQMXKYLM-LBPRGKRZSA-N 2 1 294.403 0.518 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364142247 420028948 /nfs/dbraw/zinc/02/89/48/420028948.db2.gz KFNNCEDZDGCCCV-JSGCOSHPSA-N 2 1 267.373 -0.176 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000364188035 420032470 /nfs/dbraw/zinc/03/24/70/420032470.db2.gz JAXDQDRAMUSWSZ-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000364188035 420032477 /nfs/dbraw/zinc/03/24/77/420032477.db2.gz JAXDQDRAMUSWSZ-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000364257560 420034803 /nfs/dbraw/zinc/03/48/03/420034803.db2.gz RVHFQEJDCPLEAC-LBPRGKRZSA-N 2 1 296.415 -0.025 20 0 CBADMP CC[C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000364880382 420047162 /nfs/dbraw/zinc/04/71/62/420047162.db2.gz LEDJUPLHLVVWOJ-YPMHNXCESA-N 2 1 267.373 -0.225 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652150405 420049598 /nfs/dbraw/zinc/04/95/98/420049598.db2.gz VKWXWSHUDXIJLU-CQSZACIVSA-N 2 1 297.447 -0.079 20 0 CBADMP C[C@H](CO)[N@@H+]1CCCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000364960664 420049604 /nfs/dbraw/zinc/04/96/04/420049604.db2.gz RWMUPFBEELVKRS-CQSZACIVSA-N 2 1 298.431 -0.851 20 0 CBADMP C[C@H](CO)[N@H+]1CCCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000364960664 420049606 /nfs/dbraw/zinc/04/96/06/420049606.db2.gz RWMUPFBEELVKRS-CQSZACIVSA-N 2 1 298.431 -0.851 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000652337326 420057116 /nfs/dbraw/zinc/05/71/16/420057116.db2.gz CTAVHWCWQYIXAR-WCQYABFASA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000652337326 420057118 /nfs/dbraw/zinc/05/71/18/420057118.db2.gz CTAVHWCWQYIXAR-WCQYABFASA-N 2 1 270.377 -0.554 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652318155 420057607 /nfs/dbraw/zinc/05/76/07/420057607.db2.gz OKZPIRPUPDRMGF-CQSZACIVSA-N 2 1 284.404 -0.258 20 0 CBADMP C[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)[C@H]1CC[NH3+] ZINC000652354222 420058284 /nfs/dbraw/zinc/05/82/84/420058284.db2.gz PTNNITLHPSWTKV-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@H]1CC[NH3+] ZINC000652354222 420058288 /nfs/dbraw/zinc/05/82/88/420058288.db2.gz PTNNITLHPSWTKV-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)[C@H]1CC[NH3+] ZINC000652354508 420058609 /nfs/dbraw/zinc/05/86/09/420058609.db2.gz AOIULSKYEDKZBJ-MNOVXSKESA-N 2 1 263.407 -0.015 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)[C@H]1CC[NH3+] ZINC000652354508 420058612 /nfs/dbraw/zinc/05/86/12/420058612.db2.gz AOIULSKYEDKZBJ-MNOVXSKESA-N 2 1 263.407 -0.015 20 0 CBADMP C[C@H]1CCC[N@H+](CCNS(C)(=O)=O)[C@H]1CC[NH3+] ZINC000652354509 420059157 /nfs/dbraw/zinc/05/91/57/420059157.db2.gz AOIULSKYEDKZBJ-QWRGUYRKSA-N 2 1 263.407 -0.015 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)[C@H]1CC[NH3+] ZINC000652354509 420059163 /nfs/dbraw/zinc/05/91/63/420059163.db2.gz AOIULSKYEDKZBJ-QWRGUYRKSA-N 2 1 263.407 -0.015 20 0 CBADMP C[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)[C@H]1CC[NH3+] ZINC000652354224 420059605 /nfs/dbraw/zinc/05/96/05/420059605.db2.gz PTNNITLHPSWTKV-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@H]1CC[NH3+] ZINC000652354224 420059609 /nfs/dbraw/zinc/05/96/09/420059609.db2.gz PTNNITLHPSWTKV-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP O=C(CC[N@H+]1CCOC2(CCOCC2)C1)N1CC[NH2+]CC1 ZINC000652343704 420059688 /nfs/dbraw/zinc/05/96/88/420059688.db2.gz IBKCPIDVFUFVJK-UHFFFAOYSA-N 2 1 297.399 -0.310 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000365601432 420063017 /nfs/dbraw/zinc/06/30/17/420063017.db2.gz IOLGSPYEAWBEQK-UPJWGTAASA-N 2 1 283.372 -0.704 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000365601432 420063021 /nfs/dbraw/zinc/06/30/21/420063021.db2.gz IOLGSPYEAWBEQK-UPJWGTAASA-N 2 1 283.372 -0.704 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000365601432 420063023 /nfs/dbraw/zinc/06/30/23/420063023.db2.gz IOLGSPYEAWBEQK-UPJWGTAASA-N 2 1 283.372 -0.704 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000365601432 420063026 /nfs/dbraw/zinc/06/30/26/420063026.db2.gz IOLGSPYEAWBEQK-UPJWGTAASA-N 2 1 283.372 -0.704 20 0 CBADMP O=C(NCC[N@@H+]1CC=CCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653348419 420142382 /nfs/dbraw/zinc/14/23/82/420142382.db2.gz GSCFPROCVKFIPS-JSGCOSHPSA-N 2 1 265.357 -0.400 20 0 CBADMP O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000367832910 420115798 /nfs/dbraw/zinc/11/57/98/420115798.db2.gz RUBRBEWNCBJCFC-HUUCEWRRSA-N 2 1 289.379 -0.043 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653109577 420117606 /nfs/dbraw/zinc/11/76/06/420117606.db2.gz FZRBGFRAQCVGHX-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653114565 420118159 /nfs/dbraw/zinc/11/81/59/420118159.db2.gz MSAHZMSNMZDNEP-AAEUAGOBSA-N 2 1 264.329 -0.456 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653124017 420118696 /nfs/dbraw/zinc/11/86/96/420118696.db2.gz OEZWCFQYPYOEGY-RTXFEEFZSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000653121982 420119039 /nfs/dbraw/zinc/11/90/39/420119039.db2.gz HYTOAUBXCLZZLJ-NWDGAFQWSA-N 2 1 256.394 -0.277 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H](N)CC[NH+](C)C)C1CC1 ZINC000653115054 420119268 /nfs/dbraw/zinc/11/92/68/420119268.db2.gz AWXXCSCTNUPBMG-LBPRGKRZSA-N 2 1 256.394 -0.134 20 0 CBADMP C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[N@@H+](C)C1CC1 ZINC000653116411 420120062 /nfs/dbraw/zinc/12/00/62/420120062.db2.gz GEMYUYRSGYQNOZ-MJVIPROJSA-N 2 1 267.373 -0.179 20 0 CBADMP C[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000653116709 420120263 /nfs/dbraw/zinc/12/02/63/420120263.db2.gz PLPJSUFOPJTFJB-ZYHUDNBSSA-N 2 1 256.394 -0.136 20 0 CBADMP C[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000653114765 420120491 /nfs/dbraw/zinc/12/04/91/420120491.db2.gz WCDJVUIZGMBRAX-OLZOCXBDSA-N 2 1 286.420 -0.650 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000368041836 420121259 /nfs/dbraw/zinc/12/12/59/420121259.db2.gz CQYFVRLVLPJHLZ-DCAQKATOSA-N 2 1 259.325 -0.477 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000368041836 420121264 /nfs/dbraw/zinc/12/12/64/420121264.db2.gz CQYFVRLVLPJHLZ-DCAQKATOSA-N 2 1 259.325 -0.477 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000368431107 420132415 /nfs/dbraw/zinc/13/24/15/420132415.db2.gz BTHMZXBSOPMGRE-SDDRHHMPSA-N 2 1 255.362 -0.443 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000368457175 420132920 /nfs/dbraw/zinc/13/29/20/420132920.db2.gz HETUEMNSBCZSOI-CQSZACIVSA-N 2 1 298.431 -0.541 20 0 CBADMP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000653274750 420134524 /nfs/dbraw/zinc/13/45/24/420134524.db2.gz NUTSLNNRMRSKER-JTQLQIEISA-N 2 1 256.350 -0.867 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000652693785 420071665 /nfs/dbraw/zinc/07/16/65/420071665.db2.gz DQVHHFOIHAKOFR-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCCC[NH3+] ZINC000652694456 420072158 /nfs/dbraw/zinc/07/21/58/420072158.db2.gz XVTONHFTTZSLMV-UHFFFAOYSA-N 2 1 272.393 -0.455 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000652697728 420074401 /nfs/dbraw/zinc/07/44/01/420074401.db2.gz LXGFQTUKCCCGAD-UHFFFAOYSA-N 2 1 270.377 -0.832 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652725654 420078001 /nfs/dbraw/zinc/07/80/01/420078001.db2.gz PRDATGGTHYSTEZ-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)C3([NH3+])CC3)CC2)C1 ZINC000370778092 420187717 /nfs/dbraw/zinc/18/77/17/420187717.db2.gz CUHNATBBCCVPSM-ZDUSSCGKSA-N 2 1 296.415 -0.657 20 0 CBADMP CC[N@H+]1CCO[C@H](CN2CCN(C(=O)C3([NH3+])CC3)CC2)C1 ZINC000370778092 420187720 /nfs/dbraw/zinc/18/77/20/420187720.db2.gz CUHNATBBCCVPSM-ZDUSSCGKSA-N 2 1 296.415 -0.657 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)NS(C)(=O)=O)C1CC1 ZINC000382304094 420199984 /nfs/dbraw/zinc/19/99/84/420199984.db2.gz YKAGKTGUJZTRTN-LLVKDONJSA-N 2 1 293.433 -0.641 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)NS(C)(=O)=O)C1CC1 ZINC000382304094 420199986 /nfs/dbraw/zinc/19/99/86/420199986.db2.gz YKAGKTGUJZTRTN-LLVKDONJSA-N 2 1 293.433 -0.641 20 0 CBADMP Cc1nc(N)nc(NCC[NH+]2CCSCC2)n1 ZINC000383763812 420200630 /nfs/dbraw/zinc/20/06/30/420200630.db2.gz FFPJYHWYTFRORD-UHFFFAOYSA-N 2 1 254.363 -0.355 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000388501589 420204895 /nfs/dbraw/zinc/20/48/95/420204895.db2.gz HJSNPUOXEOKBIH-NWDGAFQWSA-N 2 1 291.417 -0.669 20 0 CBADMP C[C@@H](NC(=O)[C@H]1COCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396463654 420214025 /nfs/dbraw/zinc/21/40/25/420214025.db2.gz NXZRNNOVTFPCEY-ZYHUDNBSSA-N 2 1 255.362 -0.179 20 0 CBADMP [NH2+]=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCOCC1 ZINC000369018279 420149800 /nfs/dbraw/zinc/14/98/00/420149800.db2.gz WXFRUCXNSUGBBS-NWDGAFQWSA-N 2 1 268.361 -0.294 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)[C@@H](C)[C@@H]1C ZINC000653596932 420151681 /nfs/dbraw/zinc/15/16/81/420151681.db2.gz UMVHSMDSJZPZEQ-IHRRRGAJSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000653596932 420151686 /nfs/dbraw/zinc/15/16/86/420151686.db2.gz UMVHSMDSJZPZEQ-IHRRRGAJSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000653596932 420151689 /nfs/dbraw/zinc/15/16/89/420151689.db2.gz UMVHSMDSJZPZEQ-IHRRRGAJSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)[C@@H](C)[C@H]1C ZINC000653596934 420151948 /nfs/dbraw/zinc/15/19/48/420151948.db2.gz UMVHSMDSJZPZEQ-MJBXVCDLSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000653596934 420151951 /nfs/dbraw/zinc/15/19/51/420151951.db2.gz UMVHSMDSJZPZEQ-MJBXVCDLSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000653596934 420151954 /nfs/dbraw/zinc/15/19/54/420151954.db2.gz UMVHSMDSJZPZEQ-MJBXVCDLSA-N 2 1 273.421 -0.050 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000653623816 420151991 /nfs/dbraw/zinc/15/19/91/420151991.db2.gz OLXBVYRNWCPOKQ-OLZOCXBDSA-N 2 1 283.376 -0.536 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H](n2cncn2)C1 ZINC000653623645 420152987 /nfs/dbraw/zinc/15/29/87/420152987.db2.gz KMEBGCWWQVEFNR-RYUDHWBXSA-N 2 1 253.350 -0.163 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](n2cncn2)C1 ZINC000653623641 420153236 /nfs/dbraw/zinc/15/32/36/420153236.db2.gz KMEBGCWWQVEFNR-NEPJUHHUSA-N 2 1 253.350 -0.163 20 0 CBADMP CC(C)[NH2+]CCN1CCO[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000369134841 420153292 /nfs/dbraw/zinc/15/32/92/420153292.db2.gz QEEPQWMSRIVUFX-OAHLLOKOSA-N 2 1 284.448 -0.067 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCO)C(C)(C)C1 ZINC000653633288 420153509 /nfs/dbraw/zinc/15/35/09/420153509.db2.gz XZOYPWNORCPKBP-CYBMUJFWSA-N 2 1 273.421 -0.313 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000653633288 420153511 /nfs/dbraw/zinc/15/35/11/420153511.db2.gz XZOYPWNORCPKBP-CYBMUJFWSA-N 2 1 273.421 -0.313 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000653694686 420158519 /nfs/dbraw/zinc/15/85/19/420158519.db2.gz NNWWWLNOGWDWPZ-IHRRRGAJSA-N 2 1 271.405 -0.439 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000653694686 420158522 /nfs/dbraw/zinc/15/85/22/420158522.db2.gz NNWWWLNOGWDWPZ-IHRRRGAJSA-N 2 1 271.405 -0.439 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000653694686 420158527 /nfs/dbraw/zinc/15/85/27/420158527.db2.gz NNWWWLNOGWDWPZ-IHRRRGAJSA-N 2 1 271.405 -0.439 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653778275 420162633 /nfs/dbraw/zinc/16/26/33/420162633.db2.gz PQHCHKLHKAHSLL-CYBMUJFWSA-N 2 1 286.420 -0.995 20 0 CBADMP CCN1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000369688770 420163401 /nfs/dbraw/zinc/16/34/01/420163401.db2.gz CRQBFZXYDYWPSK-GFCCVEGCSA-N 2 1 255.362 -0.129 20 0 CBADMP Cn1ccnc(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1=O ZINC000369697134 420164480 /nfs/dbraw/zinc/16/44/80/420164480.db2.gz WIRNXHZEMMEEIH-GFCCVEGCSA-N 2 1 291.399 0.361 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCc2nccn2C)C1 ZINC000369678537 420164710 /nfs/dbraw/zinc/16/47/10/420164710.db2.gz OBVJQBDPTXTTQX-SNVBAGLBSA-N 2 1 252.318 -0.243 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000653829164 420167796 /nfs/dbraw/zinc/16/77/96/420167796.db2.gz BGVOXVNXFLKJJL-YNEHKIRRSA-N 2 1 257.378 -0.950 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829164 420167799 /nfs/dbraw/zinc/16/77/99/420167799.db2.gz BGVOXVNXFLKJJL-YNEHKIRRSA-N 2 1 257.378 -0.950 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829164 420167802 /nfs/dbraw/zinc/16/78/02/420167802.db2.gz BGVOXVNXFLKJJL-YNEHKIRRSA-N 2 1 257.378 -0.950 20 0 CBADMP O[C@@H]1C[C@H]2CN(CCC[NH+]3CCOCC3)CC[N@@H+]2C1 ZINC000653826599 420168077 /nfs/dbraw/zinc/16/80/77/420168077.db2.gz FRKGHLNVTLFTRL-UONOGXRCSA-N 2 1 269.389 -0.541 20 0 CBADMP O[C@@H]1C[C@H]2CN(CCC[NH+]3CCOCC3)CC[N@H+]2C1 ZINC000653826599 420168078 /nfs/dbraw/zinc/16/80/78/420168078.db2.gz FRKGHLNVTLFTRL-UONOGXRCSA-N 2 1 269.389 -0.541 20 0 CBADMP C[C@H](O)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000653902226 420171936 /nfs/dbraw/zinc/17/19/36/420171936.db2.gz NROSPWSYIFZDSA-LBPRGKRZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](O)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000653902226 420171940 /nfs/dbraw/zinc/17/19/40/420171940.db2.gz NROSPWSYIFZDSA-LBPRGKRZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C1CC1 ZINC000654429036 420177243 /nfs/dbraw/zinc/17/72/43/420177243.db2.gz FYKGWWOZNCNVLP-KWCYVHTRSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@H](CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[N@H+](C)C1CC1 ZINC000654429036 420177247 /nfs/dbraw/zinc/17/72/47/420177247.db2.gz FYKGWWOZNCNVLP-KWCYVHTRSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@H](CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000654429036 420177251 /nfs/dbraw/zinc/17/72/51/420177251.db2.gz FYKGWWOZNCNVLP-KWCYVHTRSA-N 2 1 296.415 -0.071 20 0 CBADMP C[NH+]1CCN(C(=O)Cn2cc([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000404645490 420223843 /nfs/dbraw/zinc/22/38/43/420223843.db2.gz OBDKLMXVUZSLFT-GFCCVEGCSA-N 2 1 292.387 -0.481 20 0 CBADMP CC[C@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C ZINC000655296069 420237413 /nfs/dbraw/zinc/23/74/13/420237413.db2.gz FZVARZLWYYKWSK-QJPTWQEYSA-N 2 1 255.362 -0.396 20 0 CBADMP CC[NH2+]CCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418313863 420241624 /nfs/dbraw/zinc/24/16/24/420241624.db2.gz COHHVPBCTXMRJF-LBPRGKRZSA-N 2 1 272.393 -0.258 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000419018329 420244062 /nfs/dbraw/zinc/24/40/62/420244062.db2.gz BWAHTNZIJWFIKK-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000419591551 420245571 /nfs/dbraw/zinc/24/55/71/420245571.db2.gz RHNVJQGHGIJQJS-WDEREUQCSA-N 2 1 282.388 -0.465 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000419667582 420245917 /nfs/dbraw/zinc/24/59/17/420245917.db2.gz CAYFZSUYQBPWJD-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000419881138 420245960 /nfs/dbraw/zinc/24/59/60/420245960.db2.gz ATMLSQYRODESST-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419529426 420246615 /nfs/dbraw/zinc/24/66/15/420246615.db2.gz XRYNHUOSIZQIDL-XQQFMLRXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000420015882 420247061 /nfs/dbraw/zinc/24/70/61/420247061.db2.gz MMXCRGNIWGXGCS-VXGBXAGGSA-N 2 1 284.404 -0.362 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419901828 420247125 /nfs/dbraw/zinc/24/71/25/420247125.db2.gz VDLDYYGRZRVBDT-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000420015839 420247755 /nfs/dbraw/zinc/24/77/55/420247755.db2.gz MHQHGVJDOMAUOG-QWHCGFSZSA-N 2 1 298.431 -0.116 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000420015839 420247759 /nfs/dbraw/zinc/24/77/59/420247759.db2.gz MHQHGVJDOMAUOG-QWHCGFSZSA-N 2 1 298.431 -0.116 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655449751 420249458 /nfs/dbraw/zinc/24/94/58/420249458.db2.gz NTKRLVHLLMZBAE-VNHYZAJKSA-N 2 1 280.416 -0.262 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000655448813 420249980 /nfs/dbraw/zinc/24/99/80/420249980.db2.gz YGIBJKZHFZFSGM-QWHCGFSZSA-N 2 1 284.404 -0.883 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+](C)C1CC([NH3+])C1 ZINC000420340207 420252229 /nfs/dbraw/zinc/25/22/29/420252229.db2.gz SVYNCWFVLAOVHA-UHFFFAOYSA-N 2 1 257.334 -0.571 20 0 CBADMP CN1CC[NH2+]C[C@H]1CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000420270071 420252431 /nfs/dbraw/zinc/25/24/31/420252431.db2.gz JHIYADBRBZMIBT-JTQLQIEISA-N 2 1 288.359 -0.440 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000422891017 420253270 /nfs/dbraw/zinc/25/32/70/420253270.db2.gz UJOJDUJXWUVCEB-UPJWGTAASA-N 2 1 268.405 -0.086 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000423379970 420255103 /nfs/dbraw/zinc/25/51/03/420255103.db2.gz MJQAZPIPGHZVNA-RYUDHWBXSA-N 2 1 282.388 -0.655 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000423379970 420255107 /nfs/dbraw/zinc/25/51/07/420255107.db2.gz MJQAZPIPGHZVNA-RYUDHWBXSA-N 2 1 282.388 -0.655 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000423601825 420257042 /nfs/dbraw/zinc/25/70/42/420257042.db2.gz ZVTQLWCHAILRPE-FRRDWIJNSA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429680449 420270531 /nfs/dbraw/zinc/27/05/31/420270531.db2.gz SWMLBFIGWXUWEW-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429680449 420270536 /nfs/dbraw/zinc/27/05/36/420270536.db2.gz SWMLBFIGWXUWEW-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430950863 420271910 /nfs/dbraw/zinc/27/19/10/420271910.db2.gz JIVJRYHAORYHSP-DGCLKSJQSA-N 2 1 282.388 -0.654 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430950863 420271913 /nfs/dbraw/zinc/27/19/13/420271913.db2.gz JIVJRYHAORYHSP-DGCLKSJQSA-N 2 1 282.388 -0.654 20 0 CBADMP [NH3+]C[C@H](NC(=O)NCCC[NH+]1CCOCC1)C(F)(F)F ZINC000655910065 420275024 /nfs/dbraw/zinc/27/50/24/420275024.db2.gz LQXHSIONSKPQKO-VIFPVBQESA-N 2 1 298.309 -0.103 20 0 CBADMP [NH3+]C[C@H](NC(=O)N1CC[NH+](CCO)CC1)C(F)(F)F ZINC000655918803 420275822 /nfs/dbraw/zinc/27/58/22/420275822.db2.gz DIDFAPSODUUOFD-QMMMGPOBSA-N 2 1 284.282 -0.805 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655917326 420275851 /nfs/dbraw/zinc/27/58/51/420275851.db2.gz PMEUKCUXQKIKPM-IUCAKERBSA-N 2 1 297.325 -0.579 20 0 CBADMP C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC[N@@H+]1CCO ZINC000655924898 420277893 /nfs/dbraw/zinc/27/78/93/420277893.db2.gz SLYCPCCEYQJMLT-BDAKNGLRSA-N 2 1 298.309 -0.416 20 0 CBADMP C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC[N@H+]1CCO ZINC000655924898 420277898 /nfs/dbraw/zinc/27/78/98/420277898.db2.gz SLYCPCCEYQJMLT-BDAKNGLRSA-N 2 1 298.309 -0.416 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655927164 420281011 /nfs/dbraw/zinc/28/10/11/420281011.db2.gz GNICHNFPIVLKBS-DTWKUNHWSA-N 2 1 298.309 -0.416 20 0 CBADMP CN(C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000436044759 420281132 /nfs/dbraw/zinc/28/11/32/420281132.db2.gz CFEGIEBLSFZLJG-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP CN(C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000436044759 420281137 /nfs/dbraw/zinc/28/11/37/420281137.db2.gz CFEGIEBLSFZLJG-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963191 420283213 /nfs/dbraw/zinc/28/32/13/420283213.db2.gz KZBZVRZBZFBGBR-FRRDWIJNSA-N 2 1 284.404 -0.180 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655964113 420283222 /nfs/dbraw/zinc/28/32/22/420283222.db2.gz OTXDKZSRPIMOGE-GRYCIOLGSA-N 2 1 268.361 -0.801 20 0 CBADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963074 420283302 /nfs/dbraw/zinc/28/33/02/420283302.db2.gz GCRKGXIDHVYGAM-XJFOESAGSA-N 2 1 296.415 -0.036 20 0 CBADMP O=C(NC[C@H]1CCCC[NH2+]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655961388 420283489 /nfs/dbraw/zinc/28/34/89/420283489.db2.gz PXJYBBARHBXSCD-FRRDWIJNSA-N 2 1 282.388 -0.411 20 0 CBADMP O=C(NC[C@@H]1CCCC[NH2+]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655961389 420283630 /nfs/dbraw/zinc/28/36/30/420283630.db2.gz PXJYBBARHBXSCD-RWMBFGLXSA-N 2 1 282.388 -0.411 20 0 CBADMP CC1(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]CC1 ZINC000655964978 420283962 /nfs/dbraw/zinc/28/39/62/420283962.db2.gz KMCISJIJNVZMAD-QWHCGFSZSA-N 2 1 296.415 -0.164 20 0 CBADMP [NH3+]C[C@@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000655964525 420284081 /nfs/dbraw/zinc/28/40/81/420284081.db2.gz WVRCQXHDZSXRIK-QJPTWQEYSA-N 2 1 268.361 -0.816 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655965094 420284733 /nfs/dbraw/zinc/28/47/33/420284733.db2.gz NENJSEXZVOZOCD-GARJFASQSA-N 2 1 256.350 -0.816 20 0 CBADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967162 420284825 /nfs/dbraw/zinc/28/48/25/420284825.db2.gz OAIMSQMMJFOUNK-XQHKEYJVSA-N 2 1 282.388 -0.555 20 0 CBADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967160 420284913 /nfs/dbraw/zinc/28/49/13/420284913.db2.gz OAIMSQMMJFOUNK-RVMXOQNASA-N 2 1 282.388 -0.555 20 0 CBADMP [NH3+][C@H](CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000655965342 420285372 /nfs/dbraw/zinc/28/53/72/420285372.db2.gz RXXYTPMFRXXVFZ-QJPTWQEYSA-N 2 1 268.361 -0.816 20 0 CBADMP C[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+]1CC(C)C1 ZINC000655096067 420219020 /nfs/dbraw/zinc/21/90/20/420219020.db2.gz JGAQAUXZFYPJEM-WOPDTQHZSA-N 2 1 255.362 -0.540 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](Cn2cc([C@@H]([NH3+])CO)nn2)C1 ZINC000656449051 420309805 /nfs/dbraw/zinc/30/98/05/420309805.db2.gz WWKUWSWTYPFVJB-RYUDHWBXSA-N 2 1 283.376 -0.373 20 0 CBADMP C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)CC(C)(C)N ZINC000656786456 420321431 /nfs/dbraw/zinc/32/14/31/420321431.db2.gz ZIKBGSCTJAXXNN-LLVKDONJSA-N 2 1 256.394 -0.147 20 0 CBADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)CC(C)(C)N ZINC000656786456 420321436 /nfs/dbraw/zinc/32/14/36/420321436.db2.gz ZIKBGSCTJAXXNN-LLVKDONJSA-N 2 1 256.394 -0.147 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000516766133 420363483 /nfs/dbraw/zinc/36/34/83/420363483.db2.gz DBWREUBDAAQTPM-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP COC(=O)N1CC(NC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000496791141 420326774 /nfs/dbraw/zinc/32/67/74/420326774.db2.gz DVKRBPLPPRNWIA-LLVKDONJSA-N 2 1 257.334 -0.518 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000673517872 544875862 /nfs/dbraw/zinc/87/58/62/544875862.db2.gz XVIHKRFPEGLKFV-OLZOCXBDSA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673517872 544875865 /nfs/dbraw/zinc/87/58/65/544875865.db2.gz XVIHKRFPEGLKFV-OLZOCXBDSA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673517872 544875869 /nfs/dbraw/zinc/87/58/69/544875869.db2.gz XVIHKRFPEGLKFV-OLZOCXBDSA-N 2 1 269.389 -0.006 20 0 CBADMP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656022665 420292829 /nfs/dbraw/zinc/29/28/29/420292829.db2.gz JEXRCVIYZZYBIS-RYUDHWBXSA-N 2 1 280.372 -0.793 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656021705 420292861 /nfs/dbraw/zinc/29/28/61/420292861.db2.gz HFWZGZQFBSGFJG-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP [NH3+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656019610 420293368 /nfs/dbraw/zinc/29/33/68/420293368.db2.gz HNPRKPDFRSZYDA-MNOVXSKESA-N 2 1 268.361 -0.806 20 0 CBADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656022663 420293497 /nfs/dbraw/zinc/29/34/97/420293497.db2.gz JEXRCVIYZZYBIS-NEPJUHHUSA-N 2 1 280.372 -0.793 20 0 CBADMP O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656022963 420294044 /nfs/dbraw/zinc/29/40/44/420294044.db2.gz PUSDIRLGGXFYLB-OLZOCXBDSA-N 2 1 294.399 -0.545 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656022700 420294152 /nfs/dbraw/zinc/29/41/52/420294152.db2.gz KLABPLRMZHZSOI-AGIUHOORSA-N 2 1 296.415 -0.170 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@H](C[NH3+])OC)C1 ZINC000447435655 420294977 /nfs/dbraw/zinc/29/49/77/420294977.db2.gz QCJHSCTUCUNCJH-WDEREUQCSA-N 2 1 259.350 -0.813 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656028453 420295035 /nfs/dbraw/zinc/29/50/35/420295035.db2.gz LFUWPVUAOZWIRU-JHJVBQTASA-N 2 1 296.415 -0.075 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656028058 420295857 /nfs/dbraw/zinc/29/58/57/420295857.db2.gz IBGQHDGKBNBTEI-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)CN1CC([C@@H]2CCOC2)C1 ZINC000656151713 420300402 /nfs/dbraw/zinc/30/04/02/420300402.db2.gz BZNMQFMPOLCRCN-TZMCWYRMSA-N 2 1 272.389 -0.106 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC([C@@H]2CCOC2)C1 ZINC000656151713 420300407 /nfs/dbraw/zinc/30/04/07/420300407.db2.gz BZNMQFMPOLCRCN-TZMCWYRMSA-N 2 1 272.389 -0.106 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)C2(C)C[NH2+]C2)n1C ZINC000519596858 420383303 /nfs/dbraw/zinc/38/33/03/420383303.db2.gz CNHZZPUOHNTTPB-UHFFFAOYSA-N 2 1 251.334 -0.288 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+](C)C ZINC000674288400 544900440 /nfs/dbraw/zinc/90/04/40/544900440.db2.gz DXQDZDJIYGNXSN-UONOGXRCSA-N 2 1 298.431 -0.541 20 0 CBADMP O=C(C[N@H+]1C[C@H](O)C[C@H](O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000674464470 544906672 /nfs/dbraw/zinc/90/66/72/544906672.db2.gz FFQXVPOVLAIUOC-OKILXGFUSA-N 2 1 297.399 -0.843 20 0 CBADMP O=C(C[N@@H+]1C[C@H](O)C[C@H](O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000674464470 544906676 /nfs/dbraw/zinc/90/66/76/544906676.db2.gz FFQXVPOVLAIUOC-OKILXGFUSA-N 2 1 297.399 -0.843 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000673543289 544880303 /nfs/dbraw/zinc/88/03/03/544880303.db2.gz CQFIAGFXNSKECX-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP COCC[N@@H+]1CCCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000673650129 544882112 /nfs/dbraw/zinc/88/21/12/544882112.db2.gz XHQMEPDNXYORMQ-UHFFFAOYSA-N 2 1 298.431 -0.586 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000673650129 544882115 /nfs/dbraw/zinc/88/21/15/544882115.db2.gz XHQMEPDNXYORMQ-UHFFFAOYSA-N 2 1 298.431 -0.586 20 0 CBADMP C[NH+]1CCN(CC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000673631970 544882197 /nfs/dbraw/zinc/88/21/97/544882197.db2.gz BPVPAWLYWXGZOK-UHFFFAOYSA-N 2 1 268.405 -0.164 20 0 CBADMP C[C@H](NC(=O)N(C)CC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676303608 544947393 /nfs/dbraw/zinc/94/73/93/544947393.db2.gz FUBOHWRJDAANOL-RYUDHWBXSA-N 2 1 272.393 -0.092 20 0 CBADMP C[C@H](NC(=O)N(C)CC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676303608 544947394 /nfs/dbraw/zinc/94/73/94/544947394.db2.gz FUBOHWRJDAANOL-RYUDHWBXSA-N 2 1 272.393 -0.092 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC000676341416 544948252 /nfs/dbraw/zinc/94/82/52/544948252.db2.gz RLCQJHCUWQOQQM-QWHCGFSZSA-N 2 1 267.373 -0.129 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000674497824 544909790 /nfs/dbraw/zinc/90/97/90/544909790.db2.gz LGSXTTLQCBRRRM-BETUJISGSA-N 2 1 285.388 -0.986 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000674497824 544909793 /nfs/dbraw/zinc/90/97/93/544909793.db2.gz LGSXTTLQCBRRRM-BETUJISGSA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CN1CC[NH+](C)CC1 ZINC000675146124 544926672 /nfs/dbraw/zinc/92/66/72/544926672.db2.gz GAKWBAMLJUSEFB-GXTWGEPZSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CN1CC[NH+](C)CC1 ZINC000675146124 544926673 /nfs/dbraw/zinc/92/66/73/544926673.db2.gz GAKWBAMLJUSEFB-GXTWGEPZSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CN1CC[NH+](C)CC1 ZINC000675146127 544928188 /nfs/dbraw/zinc/92/81/88/544928188.db2.gz GAKWBAMLJUSEFB-OCCSQVGLSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CN1CC[NH+](C)CC1 ZINC000675146127 544928193 /nfs/dbraw/zinc/92/81/93/544928193.db2.gz GAKWBAMLJUSEFB-OCCSQVGLSA-N 2 1 280.416 -0.167 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659453284 420420368 /nfs/dbraw/zinc/42/03/68/420420368.db2.gz JMMMLBGDEYWIHG-QJPTWQEYSA-N 2 1 287.383 -0.687 20 0 CBADMP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000659452516 420420409 /nfs/dbraw/zinc/42/04/09/420420409.db2.gz CLJKMOCHCOBJBB-QWHCGFSZSA-N 2 1 285.436 -0.095 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000659453819 420420950 /nfs/dbraw/zinc/42/09/50/420420950.db2.gz RUNLCLNHMALPQM-NSHDSACASA-N 2 1 271.409 -0.389 20 0 CBADMP C[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)[C@H]1C[N@H+](C)CCO1 ZINC000659471682 420423275 /nfs/dbraw/zinc/42/32/75/420423275.db2.gz UZYGZVUPHSVTHQ-WDBLDGLGSA-N 2 1 282.388 -0.243 20 0 CBADMP C[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)[C@H]1C[N@@H+](C)CCO1 ZINC000659471682 420423276 /nfs/dbraw/zinc/42/32/76/420423276.db2.gz UZYGZVUPHSVTHQ-WDBLDGLGSA-N 2 1 282.388 -0.243 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000677868604 544987424 /nfs/dbraw/zinc/98/74/24/544987424.db2.gz JDGFAUPQIFTGJC-CHWSQXEVSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000677868604 544987429 /nfs/dbraw/zinc/98/74/29/544987429.db2.gz JDGFAUPQIFTGJC-CHWSQXEVSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000677868604 544987433 /nfs/dbraw/zinc/98/74/33/544987433.db2.gz JDGFAUPQIFTGJC-CHWSQXEVSA-N 2 1 266.389 -0.413 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659508386 420425446 /nfs/dbraw/zinc/42/54/46/420425446.db2.gz USKGVUQTUUWWIC-CYBMUJFWSA-N 2 1 283.420 -0.325 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000679351960 545027227 /nfs/dbraw/zinc/02/72/27/545027227.db2.gz FZPWHFSUAKAZEP-KBPBESRZSA-N 2 1 280.416 -0.214 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000679351960 545027229 /nfs/dbraw/zinc/02/72/29/545027229.db2.gz FZPWHFSUAKAZEP-KBPBESRZSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000680833515 545040768 /nfs/dbraw/zinc/04/07/68/545040768.db2.gz ZMTHAZRLPVZEIB-WCQYABFASA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000680833515 545040770 /nfs/dbraw/zinc/04/07/70/545040770.db2.gz ZMTHAZRLPVZEIB-WCQYABFASA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000680833515 545040771 /nfs/dbraw/zinc/04/07/71/545040771.db2.gz ZMTHAZRLPVZEIB-WCQYABFASA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000659750969 420467776 /nfs/dbraw/zinc/46/77/76/420467776.db2.gz ROROBLLDJDMKED-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659752659 420468145 /nfs/dbraw/zinc/46/81/45/420468145.db2.gz KZIYNTMPPWFTPO-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)C[NH2+]C)C[C@H]1C ZINC000659756004 420469401 /nfs/dbraw/zinc/46/94/01/420469401.db2.gz PEOYZPHDDUBLHX-TUAOUCFPSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)C[NH2+]C)C[C@H]1C ZINC000659756004 420469404 /nfs/dbraw/zinc/46/94/04/420469404.db2.gz PEOYZPHDDUBLHX-TUAOUCFPSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)C[NH2+]C)C[C@H]1C ZINC000659756008 420469490 /nfs/dbraw/zinc/46/94/90/420469490.db2.gz PEOYZPHDDUBLHX-UTUOFQBUSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)C[NH2+]C)C[C@H]1C ZINC000659756008 420469492 /nfs/dbraw/zinc/46/94/92/420469492.db2.gz PEOYZPHDDUBLHX-UTUOFQBUSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659615192 420438326 /nfs/dbraw/zinc/43/83/26/420438326.db2.gz JFDONXZCTWZDFT-UHFFFAOYSA-N 2 1 270.377 -0.648 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000659615321 420438670 /nfs/dbraw/zinc/43/86/70/420438670.db2.gz YSBQFTGAKJTNGO-YKQCJFHZSA-N 2 1 296.415 -0.165 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000659634136 420440744 /nfs/dbraw/zinc/44/07/44/420440744.db2.gz BODSDRDHGBJRPE-SDDRHHMPSA-N 2 1 272.393 -0.309 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000659643660 420443492 /nfs/dbraw/zinc/44/34/92/420443492.db2.gz STAKPMWRMNCWIV-QWRGUYRKSA-N 2 1 258.366 -0.698 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000659643660 420443496 /nfs/dbraw/zinc/44/34/96/420443496.db2.gz STAKPMWRMNCWIV-QWRGUYRKSA-N 2 1 258.366 -0.698 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000659643272 420443679 /nfs/dbraw/zinc/44/36/79/420443679.db2.gz PTUQGCNHGKIWGR-NWDGAFQWSA-N 2 1 272.393 -0.260 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000659673167 420446809 /nfs/dbraw/zinc/44/68/09/420446809.db2.gz HSSBGZUUSYDBMP-WDEREUQCSA-N 2 1 296.371 -0.277 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000659677522 420448112 /nfs/dbraw/zinc/44/81/12/420448112.db2.gz DMLJJLTZWBRJII-DCAQKATOSA-N 2 1 270.377 -0.691 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000659695120 420450559 /nfs/dbraw/zinc/45/05/59/420450559.db2.gz RVEOMIQFMWFZHS-NHCYSSNCSA-N 2 1 282.388 -0.691 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000659694466 420450573 /nfs/dbraw/zinc/45/05/73/420450573.db2.gz UECPAEDQJAHWKB-AXFHLTTASA-N 2 1 282.388 -0.548 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000659695114 420450765 /nfs/dbraw/zinc/45/07/65/420450765.db2.gz RVEOMIQFMWFZHS-JBLDHEPKSA-N 2 1 282.388 -0.691 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)C[NH2+]C)C1CC1 ZINC000659699950 420452329 /nfs/dbraw/zinc/45/23/29/420452329.db2.gz XXYVYSCEOBOJRE-SNVBAGLBSA-N 2 1 270.377 -0.689 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000659702559 420453181 /nfs/dbraw/zinc/45/31/81/420453181.db2.gz PVFYUKSFLNTGCR-ZJUUUORDSA-N 2 1 270.377 -0.691 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659708843 420453798 /nfs/dbraw/zinc/45/37/98/420453798.db2.gz ZVUWRGYZQMFSPQ-UHFFFAOYSA-N 2 1 296.415 -0.297 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000659709262 420453827 /nfs/dbraw/zinc/45/38/27/420453827.db2.gz GMMMKCZGUFOFAE-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000659708816 420454315 /nfs/dbraw/zinc/45/43/15/420454315.db2.gz ABZBRKPVICSRRI-NWDGAFQWSA-N 2 1 296.415 -0.156 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659708294 420454362 /nfs/dbraw/zinc/45/43/62/420454362.db2.gz PJTYWPHDLOXCSE-NSHDSACASA-N 2 1 272.393 -0.441 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659712002 420454787 /nfs/dbraw/zinc/45/47/87/420454787.db2.gz FRRRNTULMXKSAE-JTQLQIEISA-N 2 1 270.377 -0.689 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659710059 420455337 /nfs/dbraw/zinc/45/53/37/420455337.db2.gz LKTGPMPPEWMUHM-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000659711333 420455473 /nfs/dbraw/zinc/45/54/73/420455473.db2.gz ZQEIFNFGFHFDNQ-SRVKXCTJSA-N 2 1 282.388 -0.547 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000659712814 420456129 /nfs/dbraw/zinc/45/61/29/420456129.db2.gz MFDQWWMGQUTPPL-NEPJUHHUSA-N 2 1 296.415 -0.156 20 0 CBADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659714001 420456341 /nfs/dbraw/zinc/45/63/41/420456341.db2.gz INCVFHZHOXDRKG-LLVKDONJSA-N 2 1 294.399 -0.402 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000659714646 420456680 /nfs/dbraw/zinc/45/66/80/420456680.db2.gz OBAZNDHXCQZOCA-VIFPVBQESA-N 2 1 268.361 -0.937 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000659715384 420456977 /nfs/dbraw/zinc/45/69/77/420456977.db2.gz SYXVVRUBYCZENQ-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000659715381 420457130 /nfs/dbraw/zinc/45/71/30/420457130.db2.gz SYXVVRUBYCZENQ-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000659715458 420457442 /nfs/dbraw/zinc/45/74/42/420457442.db2.gz PFQCAWYSQVBCPG-UWVGGRQHSA-N 2 1 256.350 -0.950 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH3+])C1 ZINC000659718537 420457684 /nfs/dbraw/zinc/45/76/84/420457684.db2.gz QWLXQOSDVDIZKJ-NXEZZACHSA-N 2 1 256.350 -0.950 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659718215 420457896 /nfs/dbraw/zinc/45/78/96/420457896.db2.gz MRXPAXKYQXUZLG-WDEREUQCSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659716263 420458235 /nfs/dbraw/zinc/45/82/35/420458235.db2.gz VVHACMRSBFGWAL-VXGBXAGGSA-N 2 1 296.415 -0.027 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000659726594 420460209 /nfs/dbraw/zinc/46/02/09/420460209.db2.gz FESHZBKACXNQHL-GFCCVEGCSA-N 2 1 296.415 -0.168 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000659725990 420460217 /nfs/dbraw/zinc/46/02/17/420460217.db2.gz GJCXNSSNYOHXFQ-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000659724751 420460394 /nfs/dbraw/zinc/46/03/94/420460394.db2.gz QPQXXXVFQWANSS-XQQFMLRXSA-N 2 1 296.415 -0.170 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731447 420461414 /nfs/dbraw/zinc/46/14/14/420461414.db2.gz FYGOPRUOYFEYIN-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000659738868 420462969 /nfs/dbraw/zinc/46/29/69/420462969.db2.gz JKAJTEPEGWLAKB-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000659738863 420463137 /nfs/dbraw/zinc/46/31/37/420463137.db2.gz JGSBJANWGPKUDG-WFASDCNBSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)C1 ZINC000659738288 420463708 /nfs/dbraw/zinc/46/37/08/420463708.db2.gz DHIJTGZELJVVQH-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000659739443 420464416 /nfs/dbraw/zinc/46/44/16/420464416.db2.gz UPCPJRGQBOOJGR-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000659750852 420466855 /nfs/dbraw/zinc/46/68/55/420466855.db2.gz QNLYKEHBGHDSDS-SRVKXCTJSA-N 2 1 284.404 -0.348 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCc1c[nH]nn1 ZINC000660145369 420485935 /nfs/dbraw/zinc/48/59/35/420485935.db2.gz PJWGNRJDWSQDDO-UHFFFAOYSA-N 2 1 266.393 -0.084 20 0 CBADMP C[N@H+](CCCN1CC[NH+](C)CC1)CCc1cn[nH]n1 ZINC000660145369 420485937 /nfs/dbraw/zinc/48/59/37/420485937.db2.gz PJWGNRJDWSQDDO-UHFFFAOYSA-N 2 1 266.393 -0.084 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCc1cn[nH]n1 ZINC000660145369 420485939 /nfs/dbraw/zinc/48/59/39/420485939.db2.gz PJWGNRJDWSQDDO-UHFFFAOYSA-N 2 1 266.393 -0.084 20 0 CBADMP COC(=O)c1ccc(NCC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000596424645 420488626 /nfs/dbraw/zinc/48/86/26/420488626.db2.gz ISXBTPFGNSFNSK-UHFFFAOYSA-N 2 1 295.387 0.559 20 0 CBADMP COC(=O)c1ccc(NCC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000596424645 420488628 /nfs/dbraw/zinc/48/86/28/420488628.db2.gz ISXBTPFGNSFNSK-UHFFFAOYSA-N 2 1 295.387 0.559 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCO)[C@@H](C)C1 ZINC000660332988 420489332 /nfs/dbraw/zinc/48/93/32/420489332.db2.gz ZCEBSFQWCSGOKD-UONOGXRCSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000660332988 420489333 /nfs/dbraw/zinc/48/93/33/420489333.db2.gz ZCEBSFQWCSGOKD-UONOGXRCSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000660332988 420489334 /nfs/dbraw/zinc/48/93/34/420489334.db2.gz ZCEBSFQWCSGOKD-UONOGXRCSA-N 2 1 273.421 -0.314 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000518186062 260352306 /nfs/dbraw/zinc/35/23/06/260352306.db2.gz YGWHMQUJPWGRIR-QWRGUYRKSA-N 2 1 284.404 -0.219 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)COc1ccc(C(C)=O)cc1 ZINC000518375298 260389943 /nfs/dbraw/zinc/38/99/43/260389943.db2.gz PLEFXBKMYVFAOF-KBPBESRZSA-N 2 1 296.367 -0.201 20 0 CBADMP Cc1noc(CCC[N@H+](C)CC(=O)N2CC[NH2+]CC2)n1 ZINC000520231331 265695954 /nfs/dbraw/zinc/69/59/54/265695954.db2.gz WIZWMINLHOVFEB-UHFFFAOYSA-N 2 1 281.360 -0.326 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529376199 269632793 /nfs/dbraw/zinc/63/27/93/269632793.db2.gz QHLVZNPCCPMNRP-STQMWFEESA-N 2 1 284.404 -0.044 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000529384317 269633940 /nfs/dbraw/zinc/63/39/40/269633940.db2.gz AQOOVNWBBAYJHT-CHWSQXEVSA-N 2 1 278.356 -0.141 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000529384317 269633941 /nfs/dbraw/zinc/63/39/41/269633941.db2.gz AQOOVNWBBAYJHT-CHWSQXEVSA-N 2 1 278.356 -0.141 20 0 CBADMP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000353443039 276005871 /nfs/dbraw/zinc/00/58/71/276005871.db2.gz BXDNTHXWUOUPBI-RDBSUJKOSA-N 2 1 282.432 -0.018 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC[N@@H+]1C ZINC000423723153 276029374 /nfs/dbraw/zinc/02/93/74/276029374.db2.gz QGHDYCRLXUYUBC-NWDGAFQWSA-N 2 1 284.404 -0.409 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC[N@H+]1C ZINC000423723153 276029375 /nfs/dbraw/zinc/02/93/75/276029375.db2.gz QGHDYCRLXUYUBC-NWDGAFQWSA-N 2 1 284.404 -0.409 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000419893435 276029567 /nfs/dbraw/zinc/02/95/67/276029567.db2.gz MBYRCPWNUWQZCR-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000419893435 276029568 /nfs/dbraw/zinc/02/95/68/276029568.db2.gz MBYRCPWNUWQZCR-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+](CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000354705217 276125436 /nfs/dbraw/zinc/12/54/36/276125436.db2.gz FYNKLWRRELPGPU-ZDUSSCGKSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000355262518 276161778 /nfs/dbraw/zinc/16/17/78/276161778.db2.gz HAJVNGFQPIPNTF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423377396 276180838 /nfs/dbraw/zinc/18/08/38/276180838.db2.gz BPHMMFVGIVEYKN-QWRGUYRKSA-N 2 1 271.361 -0.181 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423377396 276180840 /nfs/dbraw/zinc/18/08/40/276180840.db2.gz BPHMMFVGIVEYKN-QWRGUYRKSA-N 2 1 271.361 -0.181 20 0 CBADMP CC1CCC([NH+]2CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC2)CC1 ZINC000353645365 276190346 /nfs/dbraw/zinc/19/03/46/276190346.db2.gz WEKAIMOWYJSREM-BPCQOVAHSA-N 2 1 296.415 -0.088 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420083546 276378413 /nfs/dbraw/zinc/37/84/13/276378413.db2.gz WXQZOEOZXBHVPC-JTQLQIEISA-N 2 1 270.377 -0.560 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419555101 277030563 /nfs/dbraw/zinc/03/05/63/277030563.db2.gz IYZWPIAGGBEZCK-QJPTWQEYSA-N 2 1 284.404 -0.443 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422639355 277058539 /nfs/dbraw/zinc/05/85/39/277058539.db2.gz SODJLVVADLHCLJ-TUAOUCFPSA-N 2 1 285.388 -0.029 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422639355 277058540 /nfs/dbraw/zinc/05/85/40/277058540.db2.gz SODJLVVADLHCLJ-TUAOUCFPSA-N 2 1 285.388 -0.029 20 0 CBADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494943394 277159043 /nfs/dbraw/zinc/15/90/43/277159043.db2.gz WFZOCLNGILFCPU-ZWNOBZJWSA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494943394 277159045 /nfs/dbraw/zinc/15/90/45/277159045.db2.gz WFZOCLNGILFCPU-ZWNOBZJWSA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH3+])[C@@H]1c1ccccc1 ZINC000418912904 277164514 /nfs/dbraw/zinc/16/45/14/277164514.db2.gz RXIHJFOOFBVPCB-STQMWFEESA-N 2 1 290.367 -0.377 20 0 CBADMP COCCC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCO[C@H]2C)CC1 ZINC000344452356 277206619 /nfs/dbraw/zinc/20/66/19/277206619.db2.gz XDUWIEPQZPLOOQ-JSGCOSHPSA-N 2 1 299.415 -0.020 20 0 CBADMP CC(C)(C)[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000430901544 277248933 /nfs/dbraw/zinc/24/89/33/277248933.db2.gz VRIVMWONJKVUOS-WDEREUQCSA-N 2 1 284.404 -0.184 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000419555600 277267013 /nfs/dbraw/zinc/26/70/13/277267013.db2.gz JMKAJDLLTXILLQ-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000419863793 277271095 /nfs/dbraw/zinc/27/10/95/277271095.db2.gz AGBFRFPPUGTTOM-UHFFFAOYSA-N 2 1 296.415 -0.201 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252644487 277281066 /nfs/dbraw/zinc/28/10/66/277281066.db2.gz ORVOPKSZSDOTDX-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000430949930 277286531 /nfs/dbraw/zinc/28/65/31/277286531.db2.gz FLQRWBIOLKNTLH-TZMCWYRMSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000430949930 277286532 /nfs/dbraw/zinc/28/65/32/277286532.db2.gz FLQRWBIOLKNTLH-TZMCWYRMSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000419150220 277390004 /nfs/dbraw/zinc/39/00/04/277390004.db2.gz KYBUXMJTZXKWKP-STQMWFEESA-N 2 1 298.431 -0.066 20 0 CBADMP COCC[NH+]1[C@@H](C)CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)C[C@@H]1C ZINC000189305885 277530775 /nfs/dbraw/zinc/53/07/75/277530775.db2.gz DECJWHRAFYAUMU-XDQVBPFNSA-N 2 1 299.415 -0.069 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000346364777 278023266 /nfs/dbraw/zinc/02/32/66/278023266.db2.gz GCLZYBRMOURTCV-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000346364777 278023269 /nfs/dbraw/zinc/02/32/69/278023269.db2.gz GCLZYBRMOURTCV-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000346364777 278023271 /nfs/dbraw/zinc/02/32/71/278023271.db2.gz GCLZYBRMOURTCV-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000346364777 278023272 /nfs/dbraw/zinc/02/32/72/278023272.db2.gz GCLZYBRMOURTCV-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H](CNC(=O)[C@H]1COCC[NH2+]1)C[NH+]1CCCC1 ZINC000088372339 278207034 /nfs/dbraw/zinc/20/70/34/278207034.db2.gz BZLXVNGTPLDGRK-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@H]([NH3+])CC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000261697540 278224565 /nfs/dbraw/zinc/22/45/65/278224565.db2.gz CLQARLRNSWKLKU-ZDUSSCGKSA-N 2 1 296.415 -0.120 20 0 CBADMP C[C@H]([NH3+])CC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000261697540 278224566 /nfs/dbraw/zinc/22/45/66/278224566.db2.gz CLQARLRNSWKLKU-ZDUSSCGKSA-N 2 1 296.415 -0.120 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C[C@H]1C ZINC000430723701 278290832 /nfs/dbraw/zinc/29/08/32/278290832.db2.gz SXMYVGCMYDAHGS-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C[C@H]1C ZINC000430723701 278290833 /nfs/dbraw/zinc/29/08/33/278290833.db2.gz SXMYVGCMYDAHGS-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423693872 278885800 /nfs/dbraw/zinc/88/58/00/278885800.db2.gz AIVTVEQYCYWISP-GFCCVEGCSA-N 2 1 284.404 -0.408 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000420005477 278886524 /nfs/dbraw/zinc/88/65/24/278886524.db2.gz PLNVPWNLZIMRSP-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000487168345 288087437 /nfs/dbraw/zinc/08/74/37/288087437.db2.gz ZWBMIZHGCQGYDR-MDZLAQPJSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000487168345 288087439 /nfs/dbraw/zinc/08/74/39/288087439.db2.gz ZWBMIZHGCQGYDR-MDZLAQPJSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000487168345 288087446 /nfs/dbraw/zinc/08/74/46/288087446.db2.gz ZWBMIZHGCQGYDR-MDZLAQPJSA-N 2 1 255.362 -0.633 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000423432964 279033847 /nfs/dbraw/zinc/03/38/47/279033847.db2.gz BWLCMORTELBRCA-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCC[N@H+]1C ZINC000419543755 279119606 /nfs/dbraw/zinc/11/96/06/279119606.db2.gz GRLVFJTZQOAHMZ-JHJVBQTASA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@]1(O)CC[NH+](CCOCC[N@@H+]2CC[C@@](C)(O)C2)C1 ZINC000178732830 279173937 /nfs/dbraw/zinc/17/39/37/279173937.db2.gz IGJZRMHGFXKEHZ-ZIAGYGMSSA-N 2 1 272.389 -0.084 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)C1CC1 ZINC000419520981 279190621 /nfs/dbraw/zinc/19/06/21/279190621.db2.gz JHSYSXGDIGVHAS-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419333990 288114832 /nfs/dbraw/zinc/11/48/32/288114832.db2.gz MWLNWFQDTVTLSQ-ICCXJUOJSA-N 2 1 294.399 -0.561 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419580436 279268723 /nfs/dbraw/zinc/26/87/23/279268723.db2.gz HKQSXKPRLKACGP-CHWSQXEVSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419593103 279278984 /nfs/dbraw/zinc/27/89/84/279278984.db2.gz SPAOLBXSGVWGSZ-NSHDSACASA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000333424641 288118713 /nfs/dbraw/zinc/11/87/13/288118713.db2.gz SZVDJJCYLWXILA-RTXFEEFZSA-N 2 1 282.388 -0.162 20 0 CBADMP CCN1CCC[N@H+](CCN2CC[NH2+]CC2)CC1=O ZINC000514672961 279290258 /nfs/dbraw/zinc/29/02/58/279290258.db2.gz FPLKRPYCBZOYFE-UHFFFAOYSA-N 2 1 254.378 -0.554 20 0 CBADMP CCN1CCC[N@@H+](CCN2CC[NH2+]CC2)CC1=O ZINC000514672961 279290259 /nfs/dbraw/zinc/29/02/59/279290259.db2.gz FPLKRPYCBZOYFE-UHFFFAOYSA-N 2 1 254.378 -0.554 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357932602 288122088 /nfs/dbraw/zinc/12/20/88/288122088.db2.gz QKMZOZNJYHMRAW-QTKMDUPCSA-N 2 1 253.346 -0.692 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000419591547 279324698 /nfs/dbraw/zinc/32/46/98/279324698.db2.gz RHNVJQGHGIJQJS-MNOVXSKESA-N 2 1 282.388 -0.465 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000188193317 279326636 /nfs/dbraw/zinc/32/66/36/279326636.db2.gz DOTKTGZSQNLFOX-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCCN1CC[NH2+]CC1 ZINC000236648780 279352490 /nfs/dbraw/zinc/35/24/90/279352490.db2.gz LAQZUYJYRMHIBK-UHFFFAOYSA-N 2 1 256.394 -0.262 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444270423 279359027 /nfs/dbraw/zinc/35/90/27/279359027.db2.gz PUJUPQDUUPXPJM-QWHCGFSZSA-N 2 1 268.405 -0.262 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418246700 279368042 /nfs/dbraw/zinc/36/80/42/279368042.db2.gz UGZAKOCVHLNFCU-CHWSQXEVSA-N 2 1 285.436 -0.082 20 0 CBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CSC[NH2+]3)C2)CC1 ZINC000515651710 279368873 /nfs/dbraw/zinc/36/88/73/279368873.db2.gz LSJDTUUKAVQCGI-CHWSQXEVSA-N 2 1 298.456 -0.113 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419338007 288126248 /nfs/dbraw/zinc/12/62/48/288126248.db2.gz RRFQAWYDHDNRNA-NQBHXWOUSA-N 2 1 294.399 -0.547 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000429156727 279388946 /nfs/dbraw/zinc/38/89/46/279388946.db2.gz RWSXDRHBSCOFLA-UTUOFQBUSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000429156727 279388950 /nfs/dbraw/zinc/38/89/50/279388950.db2.gz RWSXDRHBSCOFLA-UTUOFQBUSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000429156723 279389560 /nfs/dbraw/zinc/38/95/60/279389560.db2.gz RWSXDRHBSCOFLA-SRVKXCTJSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000429156723 279389561 /nfs/dbraw/zinc/38/95/61/279389561.db2.gz RWSXDRHBSCOFLA-SRVKXCTJSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)C[NH3+])[C@@H](C)C1 ZINC000347651340 279396514 /nfs/dbraw/zinc/39/65/14/279396514.db2.gz RHLMUSCRPYUWRH-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1S(C)(=O)=O ZINC000346969368 288154065 /nfs/dbraw/zinc/15/40/65/288154065.db2.gz FHHOQUBZIUMTNQ-LLVKDONJSA-N 2 1 275.418 -0.048 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423364358 280008374 /nfs/dbraw/zinc/00/83/74/280008374.db2.gz VPZKOGQHHDMEHX-STQMWFEESA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423364358 280008380 /nfs/dbraw/zinc/00/83/80/280008380.db2.gz VPZKOGQHHDMEHX-STQMWFEESA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@@H](C(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1)[NH+](C)C ZINC000413911263 280071716 /nfs/dbraw/zinc/07/17/16/280071716.db2.gz YIWRQSYSTFZBDV-RYUDHWBXSA-N 2 1 285.388 -0.110 20 0 CBADMP CC[C@@H](C(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1)[NH+](C)C ZINC000413911263 280071720 /nfs/dbraw/zinc/07/17/20/280071720.db2.gz YIWRQSYSTFZBDV-RYUDHWBXSA-N 2 1 285.388 -0.110 20 0 CBADMP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250819033 280108853 /nfs/dbraw/zinc/10/88/53/280108853.db2.gz FUUOQJCWWUHUNX-TUAOUCFPSA-N 2 1 253.346 -0.594 20 0 CBADMP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250819033 280108857 /nfs/dbraw/zinc/10/88/57/280108857.db2.gz FUUOQJCWWUHUNX-TUAOUCFPSA-N 2 1 253.346 -0.594 20 0 CBADMP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068805672 280236778 /nfs/dbraw/zinc/23/67/78/280236778.db2.gz USHLHZMWACQYFN-NEPJUHHUSA-N 2 1 256.394 -0.421 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCC[NH3+] ZINC000419081178 281052629 /nfs/dbraw/zinc/05/26/29/281052629.db2.gz RCLCQOURPPXOGT-LBPRGKRZSA-N 2 1 284.404 -0.168 20 0 CBADMP CC[C@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000261889513 281139939 /nfs/dbraw/zinc/13/99/39/281139939.db2.gz SZCFQRKZRINUKW-WOPDTQHZSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC[N@@H+]1CCOC ZINC000187951000 281144513 /nfs/dbraw/zinc/14/45/13/281144513.db2.gz OEJOVUSWOBDHFA-MELADBBJSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC[N@H+]1CCOC ZINC000187951000 281144515 /nfs/dbraw/zinc/14/45/15/281144515.db2.gz OEJOVUSWOBDHFA-MELADBBJSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000332234100 288306844 /nfs/dbraw/zinc/30/68/44/288306844.db2.gz NAOXMLQFHYXYFQ-UTUOFQBUSA-N 2 1 280.372 -0.759 20 0 CBADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000353425122 288357931 /nfs/dbraw/zinc/35/79/31/288357931.db2.gz IRYQKPAZJGPJML-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCC[N@H+]1C ZINC000419538915 289048908 /nfs/dbraw/zinc/04/89/08/289048908.db2.gz AKSYXKULUXRDCZ-FRRDWIJNSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])CCC[N@H+]1C ZINC000419543789 289050165 /nfs/dbraw/zinc/05/01/65/289050165.db2.gz GUGZPOGRGQXDEE-XQHKEYJVSA-N 2 1 296.415 -0.171 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC000438523919 289054890 /nfs/dbraw/zinc/05/48/90/289054890.db2.gz PSOBZSRNWZDVEJ-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC000438523919 289054895 /nfs/dbraw/zinc/05/48/95/289054895.db2.gz PSOBZSRNWZDVEJ-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418389500 289131382 /nfs/dbraw/zinc/13/13/82/289131382.db2.gz TYLMDXMIAKTWFS-ZDUSSCGKSA-N 2 1 285.436 -0.127 20 0 CBADMP CN(CCCN(C)C(=O)N[C@H]1CC[NH2+]C1)CC[NH+](C)C ZINC000418389500 289131383 /nfs/dbraw/zinc/13/13/83/289131383.db2.gz TYLMDXMIAKTWFS-ZDUSSCGKSA-N 2 1 285.436 -0.127 20 0 CBADMP CN(CCC[N@@H+](C)[C@H]1COC[C@@H]1O)CC[NH+](C)C ZINC000361394843 289133125 /nfs/dbraw/zinc/13/31/25/289133125.db2.gz ITBJWMNBXGFJQF-STQMWFEESA-N 2 1 259.394 -0.439 20 0 CBADMP C[NH+](C)CCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442605938 289160563 /nfs/dbraw/zinc/16/05/63/289160563.db2.gz DQIGGXMXTVWTEL-UHFFFAOYSA-N 2 1 285.436 -0.127 20 0 CBADMP COCC[C@]1(C(=O)NCC(F)(F)C[NH3+])CC[NH2+]C1 ZINC000373517711 292725078 /nfs/dbraw/zinc/72/50/78/292725078.db2.gz VGOCMLLZHQAJLU-SNVBAGLBSA-N 2 1 265.304 -0.287 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353186119 289307723 /nfs/dbraw/zinc/30/77/23/289307723.db2.gz QBNQXUVNQUOROP-AEJSXWLSSA-N 2 1 256.350 -0.822 20 0 CBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430924658 289333037 /nfs/dbraw/zinc/33/30/37/289333037.db2.gz BDPLWPDGPFPWON-BDAKNGLRSA-N 2 1 254.334 -0.356 20 0 CBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430924658 289333038 /nfs/dbraw/zinc/33/30/38/289333038.db2.gz BDPLWPDGPFPWON-BDAKNGLRSA-N 2 1 254.334 -0.356 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125422975 289341455 /nfs/dbraw/zinc/34/14/55/289341455.db2.gz BGXRWMKJECKAMI-RGOKHQFPSA-N 2 1 254.334 -0.371 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)C[C@H]1C ZINC000333841913 290095676 /nfs/dbraw/zinc/09/56/76/290095676.db2.gz OJUBEIFWJLBTFA-AGIUHOORSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@H]1C ZINC000246707574 290107145 /nfs/dbraw/zinc/10/71/45/290107145.db2.gz WSLDXNHBOOPXBC-NTZNESFSSA-N 2 1 273.352 -0.399 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@H]1C ZINC000246707574 290107147 /nfs/dbraw/zinc/10/71/47/290107147.db2.gz WSLDXNHBOOPXBC-NTZNESFSSA-N 2 1 273.352 -0.399 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000037020405 290423877 /nfs/dbraw/zinc/42/38/77/290423877.db2.gz MYOQODMOCZVZOZ-GFCCVEGCSA-N 2 1 284.404 -0.314 20 0 CBADMP COC[C@]1(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC[NH2+]C1 ZINC000423371086 293266765 /nfs/dbraw/zinc/26/67/65/293266765.db2.gz AHQMQKQUIIMRCB-GUTXKFCHSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@]1(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC[NH2+]C1 ZINC000423371086 293266768 /nfs/dbraw/zinc/26/67/68/293266768.db2.gz AHQMQKQUIIMRCB-GUTXKFCHSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@]1(CNC(=O)NCC(F)(F)C[NH3+])CCC[NH2+]1 ZINC000418508733 293290030 /nfs/dbraw/zinc/29/00/30/293290030.db2.gz FDYCWLMAPPJOFS-SNVBAGLBSA-N 2 1 280.319 -0.352 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC[NH2+]1 ZINC000423252606 300098205 /nfs/dbraw/zinc/09/82/05/300098205.db2.gz XTXXTRQWPVYKHU-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000353503624 294413504 /nfs/dbraw/zinc/41/35/04/294413504.db2.gz CCAGVJPCYZQWAA-VXGBXAGGSA-N 2 1 273.377 -0.567 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444175683 295149587 /nfs/dbraw/zinc/14/95/87/295149587.db2.gz LDVJDLBPWLZUNC-WDEREUQCSA-N 2 1 268.361 -0.948 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000063179697 295234755 /nfs/dbraw/zinc/23/47/55/295234755.db2.gz CHOUTBHWPIGDEL-JTQLQIEISA-N 2 1 268.361 -0.948 20 0 CBADMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332082509 295253384 /nfs/dbraw/zinc/25/33/84/295253384.db2.gz BABVXQONUWTHLU-XQQFMLRXSA-N 2 1 294.399 -0.463 20 0 CBADMP [NH3+][C@@H](CC(F)F)C(=O)NCCC[NH+]1CCOCC1 ZINC000311226593 295293977 /nfs/dbraw/zinc/29/39/77/295293977.db2.gz XPYWMVMXYOYGBU-VIFPVBQESA-N 2 1 265.304 -0.193 20 0 CBADMP C[C@H](C(=O)NCCC[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000163875511 298153250 /nfs/dbraw/zinc/15/32/50/298153250.db2.gz CFINQIRZKCDCTR-NSHDSACASA-N 2 1 255.362 -0.320 20 0 CBADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C(=O)N(C)C ZINC000342077444 299056571 /nfs/dbraw/zinc/05/65/71/299056571.db2.gz BVDVBUICVDTEMN-WUHRBBMRSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C(=O)N(C)C ZINC000342077444 299056576 /nfs/dbraw/zinc/05/65/76/299056576.db2.gz BVDVBUICVDTEMN-WUHRBBMRSA-N 2 1 296.415 -0.362 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000037626135 303255874 /nfs/dbraw/zinc/25/58/74/303255874.db2.gz BVCSOQAPKCDXKX-SNVBAGLBSA-N 2 1 256.350 -0.819 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418322992 303368026 /nfs/dbraw/zinc/36/80/26/303368026.db2.gz UJZQJDSUDSRYFD-QMMMGPOBSA-N 2 1 250.293 -0.121 20 0 CBADMP [NH3+]CCN(CCO)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000417717106 303380958 /nfs/dbraw/zinc/38/09/58/303380958.db2.gz VCGMSOFWUGQGGL-GFCCVEGCSA-N 2 1 284.404 -0.034 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367408139 303645555 /nfs/dbraw/zinc/64/55/55/303645555.db2.gz ONLVBEDPGWJPCH-RKDXNWHRSA-N 2 1 263.288 -0.570 20 0 CBADMP O=C(COC1C[NH2+]C1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000567822679 327908689 /nfs/dbraw/zinc/90/86/89/327908689.db2.gz JPTNZYXYLJMMEE-KGLIPLIRSA-N 2 1 297.399 -0.266 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000565361805 327931030 /nfs/dbraw/zinc/93/10/30/327931030.db2.gz CXZPSLSRBXLSGX-ZJUUUORDSA-N 2 1 257.334 -0.523 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000563271478 328005537 /nfs/dbraw/zinc/00/55/37/328005537.db2.gz TUFUIRZAVGHAOR-HIFRSBDPSA-N 3 1 287.448 -0.019 20 0 CBADMP CNC[C@](C)(O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000563271478 328005538 /nfs/dbraw/zinc/00/55/38/328005538.db2.gz TUFUIRZAVGHAOR-HIFRSBDPSA-N 2 1 287.448 -0.019 20 0 CBADMP CNC[C@](C)(O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000563271478 328005539 /nfs/dbraw/zinc/00/55/39/328005539.db2.gz TUFUIRZAVGHAOR-HIFRSBDPSA-N 2 1 287.448 -0.019 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC000563391519 328060612 /nfs/dbraw/zinc/06/06/12/328060612.db2.gz VIRFJGBDQPPDBX-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000563391519 328060613 /nfs/dbraw/zinc/06/06/13/328060613.db2.gz VIRFJGBDQPPDBX-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000563391519 328060614 /nfs/dbraw/zinc/06/06/14/328060614.db2.gz VIRFJGBDQPPDBX-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP CC[C@H](C(=O)NCC(=O)N1CC[NH+](CC)CC1)[NH+](C)C ZINC000563538250 328071687 /nfs/dbraw/zinc/07/16/87/328071687.db2.gz VBQJTXFAPYLCLI-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H](C)CN1C ZINC000571209037 328093281 /nfs/dbraw/zinc/09/32/81/328093281.db2.gz HTVSZISEYMXIRP-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H]1C[N@H+](C)[C@@H](C)CN1CCC(=O)N1CC[NH2+]CC1 ZINC000571209037 328093282 /nfs/dbraw/zinc/09/32/82/328093282.db2.gz HTVSZISEYMXIRP-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCC(=O)N1CC[NH2+]CC1 ZINC000571209037 328093283 /nfs/dbraw/zinc/09/32/83/328093283.db2.gz HTVSZISEYMXIRP-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000571209036 328093289 /nfs/dbraw/zinc/09/32/89/328093289.db2.gz HTVSZISEYMXIRP-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCC(=O)N1CC[NH2+]CC1 ZINC000571209036 328093290 /nfs/dbraw/zinc/09/32/90/328093290.db2.gz HTVSZISEYMXIRP-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CCC(=O)N1CC[NH2+]CC1 ZINC000571209036 328093291 /nfs/dbraw/zinc/09/32/91/328093291.db2.gz HTVSZISEYMXIRP-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000216159954 328114012 /nfs/dbraw/zinc/11/40/12/328114012.db2.gz GWBFXRXSBHXNOC-WOPDTQHZSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000216159954 328114013 /nfs/dbraw/zinc/11/40/13/328114013.db2.gz GWBFXRXSBHXNOC-WOPDTQHZSA-N 2 1 255.362 -0.049 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000571404618 328119507 /nfs/dbraw/zinc/11/95/07/328119507.db2.gz ZCCGLLOIBRGGMX-OLZOCXBDSA-N 2 1 256.321 -0.101 20 0 CBADMP C[C@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000584340476 328127654 /nfs/dbraw/zinc/12/76/54/328127654.db2.gz GEGHIJVUTWKNLL-YPMHNXCESA-N 2 1 283.420 -0.247 20 0 CBADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000571626417 328143121 /nfs/dbraw/zinc/14/31/21/328143121.db2.gz VUCFMVWXHZBAMP-STQMWFEESA-N 2 1 281.404 -0.620 20 0 CBADMP CC[N@@H+](CCNC[C@H](O)C[NH+]1CCN(C)CC1)C(C)C ZINC000571634485 328150987 /nfs/dbraw/zinc/15/09/87/328150987.db2.gz TXBMUKFFYFMQKW-HNNXBMFYSA-N 2 1 286.464 -0.085 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C[NH2+]C2CC2)CC1 ZINC000582724339 329130979 /nfs/dbraw/zinc/13/09/79/329130979.db2.gz NMYFOPMOOPNBGZ-UHFFFAOYSA-N 2 1 282.388 -0.593 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000388787990 328303436 /nfs/dbraw/zinc/30/34/36/328303436.db2.gz NVCIURFNNJKWJK-KGLIPLIRSA-N 2 1 273.421 -0.049 20 0 CBADMP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000583946455 326804657 /nfs/dbraw/zinc/80/46/57/326804657.db2.gz CLYSCGXHQARYHE-NEPJUHHUSA-N 2 1 270.377 -0.384 20 0 CBADMP Cc1noc(CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)n1 ZINC000583997332 326838083 /nfs/dbraw/zinc/83/80/83/326838083.db2.gz DWZUWPCQEZIYJY-UHFFFAOYSA-N 2 1 294.403 -0.599 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000565655437 326988456 /nfs/dbraw/zinc/98/84/56/326988456.db2.gz ZUJJNPLSGRDDBQ-NWDGAFQWSA-N 2 1 299.419 -0.425 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000568552665 327002916 /nfs/dbraw/zinc/00/29/16/327002916.db2.gz ABGCFOJWSRVYMQ-AWEZNQCLSA-N 2 1 269.389 -0.101 20 0 CBADMP CN1CCN(C)[C@@H](CNC(=O)CN2CC(C)(C)C2)C1 ZINC000557597271 327015024 /nfs/dbraw/zinc/01/50/24/327015024.db2.gz RGUKMEUGAUTDPI-LBPRGKRZSA-N 2 1 268.405 -0.310 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000564448286 327089296 /nfs/dbraw/zinc/08/92/96/327089296.db2.gz LHZHNCWLIPWLJA-NEPJUHHUSA-N 2 1 282.388 -0.430 20 0 CBADMP CO[C@H]1CCN(C(=O)CC(F)(F)C[NH3+])[C@@H](C[NH3+])C1 ZINC000584238933 327094397 /nfs/dbraw/zinc/09/43/97/327094397.db2.gz HSRHDSPRFYUNRU-BDAKNGLRSA-N 2 1 265.304 -0.065 20 0 CBADMP C[C@@H](C(=O)N[C@](C)(C[NH3+])C1CC1)N1CC[NH+](C)CC1 ZINC000569364718 327165087 /nfs/dbraw/zinc/16/50/87/327165087.db2.gz SMTZIVIAOZSIKR-SMDDNHRTSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000569481229 327183922 /nfs/dbraw/zinc/18/39/22/327183922.db2.gz ARBQNJXUFJQDDZ-SRVKXCTJSA-N 2 1 282.388 -0.560 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000569482191 327184246 /nfs/dbraw/zinc/18/42/46/327184246.db2.gz BEJZVHTVJQZNOT-RYUDHWBXSA-N 2 1 285.388 -0.029 20 0 CBADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000566242149 327256240 /nfs/dbraw/zinc/25/62/40/327256240.db2.gz GHENHMDMCOJWTH-HNNXBMFYSA-N 3 1 280.416 -0.116 20 0 CBADMP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCNCC1 ZINC000566242149 327256242 /nfs/dbraw/zinc/25/62/42/327256242.db2.gz GHENHMDMCOJWTH-HNNXBMFYSA-N 2 1 280.416 -0.116 20 0 CBADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCNCC1 ZINC000566242149 327256243 /nfs/dbraw/zinc/25/62/43/327256243.db2.gz GHENHMDMCOJWTH-HNNXBMFYSA-N 2 1 280.416 -0.116 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000577395199 327260220 /nfs/dbraw/zinc/26/02/20/327260220.db2.gz HSBDJKUBMXCAGI-ZDUSSCGKSA-N 3 1 284.404 -0.895 20 0 CBADMP [NH3+]CCOCC[N@@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000577395199 327260221 /nfs/dbraw/zinc/26/02/21/327260221.db2.gz HSBDJKUBMXCAGI-ZDUSSCGKSA-N 2 1 284.404 -0.895 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000577395199 327260223 /nfs/dbraw/zinc/26/02/23/327260223.db2.gz HSBDJKUBMXCAGI-ZDUSSCGKSA-N 2 1 284.404 -0.895 20 0 CBADMP CN1CCN(C(=O)CC[N@@H+]2CCn3nncc3C2)CC1 ZINC000569619554 327352537 /nfs/dbraw/zinc/35/25/37/327352537.db2.gz UKDISLYIDHGVBH-UHFFFAOYSA-N 2 1 278.360 -0.742 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CCn3nncc3C2)CC1 ZINC000569619554 327352538 /nfs/dbraw/zinc/35/25/38/327352538.db2.gz UKDISLYIDHGVBH-UHFFFAOYSA-N 2 1 278.360 -0.742 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)C[N@H+]1C1CC1 ZINC000582476361 329094734 /nfs/dbraw/zinc/09/47/34/329094734.db2.gz UDESODIIRFSHDQ-BZPMIXESSA-N 2 1 295.431 -0.186 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000582536657 329108432 /nfs/dbraw/zinc/10/84/32/329108432.db2.gz XJOYAQMBUSNEIK-XQQFMLRXSA-N 2 1 294.399 -0.402 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@@H]([NH2+]Cc2ccccn2)C1=O ZINC000582614119 329117549 /nfs/dbraw/zinc/11/75/49/329117549.db2.gz AJVQTDJTHNBVDQ-GFCCVEGCSA-N 2 1 276.340 -0.140 20 0 CBADMP 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 329129568 /nfs/dbraw/zinc/12/95/68/329129568.db2.gz RGSABBIIHNKLOR-LSCVPOLPSA-N 2 1 294.399 -0.467 20 0 CBADMP CN1CC[NH2+]C[C@H]1CNC(=O)c1csc(C[NH3+])n1 ZINC000582844966 329277598 /nfs/dbraw/zinc/27/75/98/329277598.db2.gz VWNXCWPPGSIDRL-QMMMGPOBSA-N 2 1 269.374 -0.765 20 0 CBADMP C[C@]1(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCC[NH2+]1 ZINC000582849592 329279987 /nfs/dbraw/zinc/27/99/87/329279987.db2.gz SMYOSSNXYPNZMQ-IUODEOHRSA-N 2 1 296.415 -0.168 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1C ZINC000582964797 329292664 /nfs/dbraw/zinc/29/26/64/329292664.db2.gz INUGLTNPCNFONQ-OLZOCXBDSA-N 2 1 268.357 -0.095 20 0 CBADMP O=C(COC1C[NH2+]C1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000582965612 329295008 /nfs/dbraw/zinc/29/50/08/329295008.db2.gz VHIDTWSVKRCNPW-ZDUSSCGKSA-N 2 1 276.340 -0.457 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000583089728 329314265 /nfs/dbraw/zinc/31/42/65/329314265.db2.gz XVZBGUADPGKNQG-GFCCVEGCSA-N 2 1 293.433 -0.782 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CCSC[C@@H]1CCO ZINC000583211869 329368276 /nfs/dbraw/zinc/36/82/76/329368276.db2.gz GCBIJTDGRCXREW-STQMWFEESA-N 2 1 292.445 -0.275 20 0 CBADMP CN(C)C(=O)NCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000574989833 330123113 /nfs/dbraw/zinc/12/31/13/330123113.db2.gz UJOOBMYGMFLVMI-UHFFFAOYSA-N 2 1 257.382 -0.905 20 0 CBADMP O=C1CNC(=O)N1CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580432058 330131466 /nfs/dbraw/zinc/13/14/66/330131466.db2.gz PPQQBJOHSKJVIW-CYBMUJFWSA-N 2 1 266.345 -0.386 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580432058 330131467 /nfs/dbraw/zinc/13/14/67/330131467.db2.gz PPQQBJOHSKJVIW-CYBMUJFWSA-N 2 1 266.345 -0.386 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000566235041 334637488 /nfs/dbraw/zinc/63/74/88/334637488.db2.gz PPHOPXFSYGTGCQ-NWDGAFQWSA-N 2 1 272.320 -0.265 20 0 CBADMP C[C@H](C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)N1CC[NH+](C)CC1 ZINC000575803779 335117150 /nfs/dbraw/zinc/11/71/50/335117150.db2.gz FUUSXAVUFAQHOS-JHJVBQTASA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000575814424 335118598 /nfs/dbraw/zinc/11/85/98/335118598.db2.gz MQBCTXPILMPBHS-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000575814424 335118599 /nfs/dbraw/zinc/11/85/99/335118599.db2.gz MQBCTXPILMPBHS-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000575814424 335118601 /nfs/dbraw/zinc/11/86/01/335118601.db2.gz MQBCTXPILMPBHS-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@@H+](C)CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000576035715 335143918 /nfs/dbraw/zinc/14/39/18/335143918.db2.gz VSADMHHEMKXPOG-LLVKDONJSA-N 2 1 280.376 -0.288 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)C[C@@H]1C ZINC000311179755 334038284 /nfs/dbraw/zinc/03/82/84/334038284.db2.gz XXYWVCMYBPGYFS-QWHCGFSZSA-N 2 1 259.394 -0.439 20 0 CBADMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000564341243 334141420 /nfs/dbraw/zinc/14/14/20/334141420.db2.gz AAYFKRKLEDECJO-YPMHNXCESA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000564341243 334141423 /nfs/dbraw/zinc/14/14/23/334141423.db2.gz AAYFKRKLEDECJO-YPMHNXCESA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000564341243 334141424 /nfs/dbraw/zinc/14/14/24/334141424.db2.gz AAYFKRKLEDECJO-YPMHNXCESA-N 2 1 257.378 -0.243 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000576278747 335181717 /nfs/dbraw/zinc/18/17/17/335181717.db2.gz UQJYCQPELGQEJW-WCQYABFASA-N 2 1 282.388 -0.608 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H](OC)[C@@H](OC)C1 ZINC000311451736 334219412 /nfs/dbraw/zinc/21/94/12/334219412.db2.gz JJUWWLAPZBXLDG-UPJWGTAASA-N 2 1 276.377 -0.729 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000311451736 334219414 /nfs/dbraw/zinc/21/94/14/334219414.db2.gz JJUWWLAPZBXLDG-UPJWGTAASA-N 2 1 276.377 -0.729 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000566178706 334632455 /nfs/dbraw/zinc/63/24/55/334632455.db2.gz GMVMJHPEXHHVQR-AWEZNQCLSA-N 2 1 296.415 -0.217 20 0 CBADMP Cc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc(C)[nH+]1 ZINC000567368039 334709311 /nfs/dbraw/zinc/70/93/11/334709311.db2.gz KEFUSCSGALKYJJ-WDEREUQCSA-N 2 1 261.329 -0.158 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000573091116 334907475 /nfs/dbraw/zinc/90/74/75/334907475.db2.gz VSVNLTJWHZVMDK-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000576360231 335194630 /nfs/dbraw/zinc/19/46/30/335194630.db2.gz NMFSGLMFSURCEA-NEPJUHHUSA-N 2 1 256.394 -0.406 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000576465648 335207421 /nfs/dbraw/zinc/20/74/21/335207421.db2.gz HXKLLYRCQBSJAR-ZYHUDNBSSA-N 2 1 259.325 -0.475 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000576588347 335223327 /nfs/dbraw/zinc/22/33/27/335223327.db2.gz QTRCMAOHDWQBBF-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CCOC)CC1 ZINC000576644840 335230317 /nfs/dbraw/zinc/23/03/17/335230317.db2.gz MFOVVFCVXKNLIU-ZDUSSCGKSA-N 2 1 259.394 -0.437 20 0 CBADMP C[C@@]1(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000576703815 335237138 /nfs/dbraw/zinc/23/71/38/335237138.db2.gz RQYYDXHCSFPXKX-UONOGXRCSA-N 3 1 252.406 -0.035 20 0 CBADMP C[C@@]1(CN2CC[C@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000576703815 335237139 /nfs/dbraw/zinc/23/71/39/335237139.db2.gz RQYYDXHCSFPXKX-UONOGXRCSA-N 2 1 252.406 -0.035 20 0 CBADMP C[C@@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)[NH+]1CC(C)C1 ZINC000576714941 335239060 /nfs/dbraw/zinc/23/90/60/335239060.db2.gz HZAPXYYEGAEWLF-WFASDCNBSA-N 2 1 281.400 -0.101 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000576730354 335240933 /nfs/dbraw/zinc/24/09/33/335240933.db2.gz YFGQKAQYOXEHIG-AWEZNQCLSA-N 2 1 297.447 -0.127 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000576999354 335275907 /nfs/dbraw/zinc/27/59/07/335275907.db2.gz WDCSSRUBPVJAHR-GWCFXTLKSA-N 2 1 297.359 -0.718 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000576999354 335275908 /nfs/dbraw/zinc/27/59/08/335275908.db2.gz WDCSSRUBPVJAHR-GWCFXTLKSA-N 2 1 297.359 -0.718 20 0 CBADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000577389721 335347052 /nfs/dbraw/zinc/34/70/52/335347052.db2.gz NIQDJYXIHVLPNH-KBPBESRZSA-N 2 1 297.447 -0.081 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000577493895 335358961 /nfs/dbraw/zinc/35/89/61/335358961.db2.gz HDLVLJVTDFRXQE-QNWHQSFQSA-N 2 1 283.372 -0.705 20 0 CBADMP COCC[NH2+]CC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000577749102 335396960 /nfs/dbraw/zinc/39/69/60/335396960.db2.gz LBJKQTZQVPTYDK-UHFFFAOYSA-N 2 1 286.420 -0.682 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000577751866 335397459 /nfs/dbraw/zinc/39/74/59/335397459.db2.gz VKNYVKXDSKFLFL-VXGBXAGGSA-N 2 1 254.330 -0.404 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000577751528 335397606 /nfs/dbraw/zinc/39/76/06/335397606.db2.gz JIZWKRPQLUUPGZ-SRVKXCTJSA-N 2 1 284.404 -0.219 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000578651680 335659427 /nfs/dbraw/zinc/65/94/27/335659427.db2.gz GLYLYPGZCILTPL-QWRGUYRKSA-N 2 1 295.387 -0.060 20 0 CBADMP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000193324460 335967488 /nfs/dbraw/zinc/96/74/88/335967488.db2.gz BBAQSFQPTMYUJO-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCn2cc[nH+]c2C)C1 ZINC000380712486 336019510 /nfs/dbraw/zinc/01/95/10/336019510.db2.gz FHVGLKJXYWUXJP-WDEREUQCSA-N 2 1 252.318 -0.315 20 0 CBADMP C[C@@H]1CNC[C@H](C)[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000581191308 336021903 /nfs/dbraw/zinc/02/19/03/336021903.db2.gz WAWQGOVTUNRAMW-FRRDWIJNSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1CNC[C@H](C)[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000581191308 336021904 /nfs/dbraw/zinc/02/19/04/336021904.db2.gz WAWQGOVTUNRAMW-FRRDWIJNSA-N 2 1 268.405 -0.134 20 0 CBADMP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C1CC1 ZINC000581419704 336074153 /nfs/dbraw/zinc/07/41/53/336074153.db2.gz LZUUGZQVCGVIEB-CHWSQXEVSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000581479060 336086362 /nfs/dbraw/zinc/08/63/62/336086362.db2.gz URMMPGRJGQZBJH-RYUDHWBXSA-N 2 1 294.399 -0.321 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000581546941 336099811 /nfs/dbraw/zinc/09/98/11/336099811.db2.gz PKVWJPWLTAEYCI-GHMZBOCLSA-N 2 1 260.382 -0.274 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000581546944 336099834 /nfs/dbraw/zinc/09/98/34/336099834.db2.gz PKVWJPWLTAEYCI-WDEREUQCSA-N 2 1 260.382 -0.274 20 0 CBADMP CN1CC[C@H]([N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000581608407 336111801 /nfs/dbraw/zinc/11/18/01/336111801.db2.gz CPDNKKAZLWVLGM-RYUDHWBXSA-N 2 1 267.373 -0.096 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@H]1CCC[NH2+]1)c1cnn(C)c1 ZINC000581666159 336120834 /nfs/dbraw/zinc/12/08/34/336120834.db2.gz DLBKXZHMDISPRQ-GHMZBOCLSA-N 2 1 251.334 -0.451 20 0 CBADMP CC[N@H+](C)C[C@@H](O)CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581733751 336139856 /nfs/dbraw/zinc/13/98/56/336139856.db2.gz ALTOWGCRNKFWSM-GFCCVEGCSA-N 2 1 267.377 -0.156 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581733751 336139857 /nfs/dbraw/zinc/13/98/57/336139857.db2.gz ALTOWGCRNKFWSM-GFCCVEGCSA-N 2 1 267.377 -0.156 20 0 CBADMP CN1CCN(C(=O)CSC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000581824061 336147577 /nfs/dbraw/zinc/14/75/77/336147577.db2.gz VGKWXESJLVDJBU-LBPRGKRZSA-N 2 1 287.429 -0.176 20 0 CBADMP CN1CCN(C(=O)CSC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000581824061 336147578 /nfs/dbraw/zinc/14/75/78/336147578.db2.gz VGKWXESJLVDJBU-LBPRGKRZSA-N 2 1 287.429 -0.176 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581944081 336174133 /nfs/dbraw/zinc/17/41/33/336174133.db2.gz PILRXDGHJBESNY-CYBMUJFWSA-N 2 1 268.361 -0.092 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CCNC(=O)C1CC1)C1CC1 ZINC000386454888 336175427 /nfs/dbraw/zinc/17/54/27/336175427.db2.gz RUJBTMYKWAZMKL-GFCCVEGCSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CCNC(=O)C1CC1)C1CC1 ZINC000386454888 336175428 /nfs/dbraw/zinc/17/54/28/336175428.db2.gz RUJBTMYKWAZMKL-GFCCVEGCSA-N 2 1 255.362 -0.443 20 0 CBADMP C[C@H](CC(=O)N(C)C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000398956818 582132349 /nfs/dbraw/zinc/13/23/49/582132349.db2.gz IUJLMPVGBUYMBR-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000236884532 535716249 /nfs/dbraw/zinc/71/62/49/535716249.db2.gz LMSLUGXWRHVLFJ-KGLIPLIRSA-N 2 1 282.432 -0.014 20 0 CBADMP C[NH+](C)CCN(C(=O)[C@@H]1C[N@H+]2CCN1CCC2)C1CC1 ZINC000356290739 535844169 /nfs/dbraw/zinc/84/41/69/535844169.db2.gz DERJFSTZCBOPDJ-AWEZNQCLSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCC[N@H+](C)[C@@H](C)C(N)=O ZINC000118401454 582117360 /nfs/dbraw/zinc/11/73/60/582117360.db2.gz PETZVIUIXWLHPV-UWVGGRQHSA-N 2 1 258.366 -0.622 20 0 CBADMP CN1CC[NH+](CCCNC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000137363447 582126066 /nfs/dbraw/zinc/12/60/66/582126066.db2.gz CURRTRCDFDBKBL-CYBMUJFWSA-N 2 1 268.405 -0.133 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000725898991 582135941 /nfs/dbraw/zinc/13/59/41/582135941.db2.gz ZADKEIQRJMXAFK-ZIAGYGMSSA-N 2 1 297.399 -0.312 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000725898991 582135942 /nfs/dbraw/zinc/13/59/42/582135942.db2.gz ZADKEIQRJMXAFK-ZIAGYGMSSA-N 2 1 297.399 -0.312 20 0 CBADMP COCC[N@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC000726983178 582139520 /nfs/dbraw/zinc/13/95/20/582139520.db2.gz NUEAVSWISPASER-UHFFFAOYSA-N 2 1 273.377 -0.597 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC000726983178 582139521 /nfs/dbraw/zinc/13/95/21/582139521.db2.gz NUEAVSWISPASER-UHFFFAOYSA-N 2 1 273.377 -0.597 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000729529203 582146885 /nfs/dbraw/zinc/14/68/85/582146885.db2.gz NELNDSSBZZSGNL-RWMBFGLXSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000729529203 582146887 /nfs/dbraw/zinc/14/68/87/582146887.db2.gz NELNDSSBZZSGNL-RWMBFGLXSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000729529203 582146888 /nfs/dbraw/zinc/14/68/88/582146888.db2.gz NELNDSSBZZSGNL-RWMBFGLXSA-N 2 1 267.373 -0.083 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=S)NCC[NH+](C)C)C1 ZINC000730733251 582151180 /nfs/dbraw/zinc/15/11/80/582151180.db2.gz IUAMQSXYPWFVRT-LLVKDONJSA-N 2 1 274.434 -0.267 20 0 CBADMP CN1CC[N@H+](C)C[C@H]1CNC(=S)NCCC[NH+](C)C ZINC000731948426 582155880 /nfs/dbraw/zinc/15/58/80/582155880.db2.gz ZGMQYVJUJPPQDB-GFCCVEGCSA-N 2 1 287.477 -0.352 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=S)NCCC[NH+](C)C ZINC000731948426 582155881 /nfs/dbraw/zinc/15/58/81/582155881.db2.gz ZGMQYVJUJPPQDB-GFCCVEGCSA-N 2 1 287.477 -0.352 20 0 CBADMP C[NH+](C)C1(CNC(=O)CC[NH+]2CCOCC2)CCOCC1 ZINC000733809325 582166144 /nfs/dbraw/zinc/16/61/44/582166144.db2.gz HYBPLGGIGTUNFI-UHFFFAOYSA-N 2 1 299.415 -0.064 20 0 CBADMP CC(C)[C@H](C[NH+](C)C)NC(=O)CN1CC[NH+](C)CC1 ZINC000743586743 582277206 /nfs/dbraw/zinc/27/72/06/582277206.db2.gz HKHKLDGDTSJFBH-ZDUSSCGKSA-N 2 1 270.421 -0.064 20 0 CBADMP O=C(NCC[NH+]1CCC1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000752666711 582295383 /nfs/dbraw/zinc/29/53/83/582295383.db2.gz IWDMVSYMUOSEII-OLZOCXBDSA-N 2 1 282.388 -0.146 20 0 CBADMP Cn1cc[nH+]c1N1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000760875811 582313673 /nfs/dbraw/zinc/31/36/73/582313673.db2.gz NQUDPJVIVDRFFY-CQSZACIVSA-N 2 1 293.415 -0.001 20 0 CBADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(OCC(N)=O)cc2)C1 ZINC000762556233 582317748 /nfs/dbraw/zinc/31/77/48/582317748.db2.gz KYKMXPCHRSEDIF-OAHLLOKOSA-N 2 1 293.367 -0.293 20 0 CBADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(OCC(N)=O)cc2)C1 ZINC000762556233 582317749 /nfs/dbraw/zinc/31/77/49/582317749.db2.gz KYKMXPCHRSEDIF-OAHLLOKOSA-N 2 1 293.367 -0.293 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000771659490 582341425 /nfs/dbraw/zinc/34/14/25/582341425.db2.gz LOXYZZPRZTWSBU-CQSZACIVSA-N 2 1 299.415 -0.328 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ncnn2C)C1 ZINC000779656292 582362248 /nfs/dbraw/zinc/36/22/48/582362248.db2.gz XECCEWBFSDTFST-JTQLQIEISA-N 2 1 282.348 -0.077 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ncnn2C)C1 ZINC000779656292 582362249 /nfs/dbraw/zinc/36/22/49/582362249.db2.gz XECCEWBFSDTFST-JTQLQIEISA-N 2 1 282.348 -0.077 20 0 CBADMP OCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000781982354 582367167 /nfs/dbraw/zinc/36/71/67/582367167.db2.gz LVHSTMANDHAPIC-AWEZNQCLSA-N 2 1 272.389 -0.084 20 0 CBADMP OCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000781982354 582367168 /nfs/dbraw/zinc/36/71/68/582367168.db2.gz LVHSTMANDHAPIC-AWEZNQCLSA-N 2 1 272.389 -0.084 20 0 CBADMP C[NH+]1CCC(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000788480040 582386216 /nfs/dbraw/zinc/38/62/16/582386216.db2.gz GNTVKGFUKSHSAC-LBPRGKRZSA-N 2 1 275.418 -0.048 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1(CO)CCOCC1 ZINC000792408807 582395511 /nfs/dbraw/zinc/39/55/11/582395511.db2.gz JMZFKGSMRNBRJF-CYBMUJFWSA-N 2 1 272.389 -0.084 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1(CO)CCOCC1 ZINC000792408807 582395512 /nfs/dbraw/zinc/39/55/12/582395512.db2.gz JMZFKGSMRNBRJF-CYBMUJFWSA-N 2 1 272.389 -0.084 20 0 CBADMP C[C@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000808220677 582442381 /nfs/dbraw/zinc/44/23/81/582442381.db2.gz AGRKXBYMHWVKAL-KGLIPLIRSA-N 2 1 298.431 -0.805 20 0 CBADMP CON(C)C(=O)CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000808742134 582444144 /nfs/dbraw/zinc/44/41/44/582444144.db2.gz IYIUJQIKYXOZSX-UHFFFAOYSA-N 2 1 286.420 -0.034 20 0 CBADMP CN(C)CC[N@@H+](C)CCCNC(=S)NCC[NH+](C)C ZINC000809160887 582445196 /nfs/dbraw/zinc/44/51/96/582445196.db2.gz HDDNTIVVKAEQSC-UHFFFAOYSA-N 2 1 289.493 -0.104 20 0 CBADMP CN(CCCNC(=S)NCC[NH+](C)C)CC[NH+](C)C ZINC000809160887 582445197 /nfs/dbraw/zinc/44/51/97/582445197.db2.gz HDDNTIVVKAEQSC-UHFFFAOYSA-N 2 1 289.493 -0.104 20 0 CBADMP CON(C)C(=O)CC[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000819062765 582525479 /nfs/dbraw/zinc/52/54/79/582525479.db2.gz SUHLHEGJVFXUOQ-UHFFFAOYSA-N 2 1 286.376 -0.850 20 0 CBADMP Cn1ncc(CCC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)n1 ZINC000819331080 582532481 /nfs/dbraw/zinc/53/24/81/582532481.db2.gz JQRNZOPZSVTXTG-ZDUSSCGKSA-N 2 1 267.377 -0.208 20 0 CBADMP Cn1ncc(CCC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)n1 ZINC000819331080 582532483 /nfs/dbraw/zinc/53/24/83/582532483.db2.gz JQRNZOPZSVTXTG-ZDUSSCGKSA-N 2 1 267.377 -0.208 20 0 CBADMP CC[C@H](CO)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000821103126 582593236 /nfs/dbraw/zinc/59/32/36/582593236.db2.gz ZJSJIXVTUZSTON-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000824020952 582685496 /nfs/dbraw/zinc/68/54/96/582685496.db2.gz DMKXJYKOGCTPQD-GFCCVEGCSA-N 2 1 253.346 -0.640 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000827004566 582797166 /nfs/dbraw/zinc/79/71/66/582797166.db2.gz KXJPEVPOTBEUDX-CQSZACIVSA-N 2 1 286.395 -0.168 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@]1(F)CC[NH2+]C1 ZINC000827936230 582836401 /nfs/dbraw/zinc/83/64/01/582836401.db2.gz GZXVLWHOIDRKSM-WZRBSPASSA-N 2 1 271.336 -0.333 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000828357938 582853829 /nfs/dbraw/zinc/85/38/29/582853829.db2.gz GNDDQCOUVSGZIK-CHWSQXEVSA-N 2 1 296.415 -0.183 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)C1 ZINC000829715556 582895899 /nfs/dbraw/zinc/89/58/99/582895899.db2.gz OTKAFWIGWYMRBK-UPJWGTAASA-N 2 1 266.389 -0.428 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000830134285 582921381 /nfs/dbraw/zinc/92/13/81/582921381.db2.gz COZKIEBPSBKVIY-LPWJVIDDSA-N 2 1 294.399 -0.737 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000830134285 582921384 /nfs/dbraw/zinc/92/13/84/582921384.db2.gz COZKIEBPSBKVIY-LPWJVIDDSA-N 2 1 294.399 -0.737 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000830134285 582921385 /nfs/dbraw/zinc/92/13/85/582921385.db2.gz COZKIEBPSBKVIY-LPWJVIDDSA-N 2 1 294.399 -0.737 20 0 CBADMP CCO[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)C[NH+](C)C ZINC000831703045 582995863 /nfs/dbraw/zinc/99/58/63/582995863.db2.gz PPXUQLSVHQRYLN-YRGRVCCFSA-N 2 1 287.404 -0.476 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000832409752 583024493 /nfs/dbraw/zinc/02/44/93/583024493.db2.gz MNQJWDJKIUJFCR-UHFFFAOYSA-N 2 1 293.371 -0.480 20 0 CBADMP CN(C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC([NH3+])C1 ZINC000841790480 583173997 /nfs/dbraw/zinc/17/39/97/583173997.db2.gz XIBNWFVLYXLXEN-KPFVRQRISA-N 2 1 282.388 -0.019 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841789760 583174095 /nfs/dbraw/zinc/17/40/95/583174095.db2.gz QMHPBRZLJZUHGS-SRVKXCTJSA-N 2 1 270.377 -0.114 20 0 CBADMP O=C(NCC[NH2+]C1CC1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841790198 583174111 /nfs/dbraw/zinc/17/41/11/583174111.db2.gz AJDYWQUGAHQDSK-STQMWFEESA-N 2 1 282.388 -0.099 20 0 CBADMP C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH2+]1 ZINC000841790811 583174410 /nfs/dbraw/zinc/17/44/10/583174410.db2.gz KLELBMHZCDBKRP-UPJWGTAASA-N 2 1 282.388 -0.147 20 0 CBADMP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH2+]1 ZINC000841790809 583174529 /nfs/dbraw/zinc/17/45/29/583174529.db2.gz KLELBMHZCDBKRP-JHJVBQTASA-N 2 1 282.388 -0.147 20 0 CBADMP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000843348345 583211869 /nfs/dbraw/zinc/21/18/69/583211869.db2.gz KKSLUMRAXDJZOV-GFCCVEGCSA-N 2 1 298.387 -0.432 20 0 CBADMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000843348345 583211872 /nfs/dbraw/zinc/21/18/72/583211872.db2.gz KKSLUMRAXDJZOV-GFCCVEGCSA-N 2 1 298.387 -0.432 20 0 CBADMP C[N@H+]1CCCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000843463126 583223688 /nfs/dbraw/zinc/22/36/88/583223688.db2.gz ZIBJGJPCYBQIGO-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[NH2+]C[C@@H]1C(F)F ZINC000843481398 583226344 /nfs/dbraw/zinc/22/63/44/583226344.db2.gz WKTUAOBNTHMODW-SECBINFHSA-N 2 1 285.298 -0.266 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844170943 583256149 /nfs/dbraw/zinc/25/61/49/583256149.db2.gz OCLZFJLSQLSWJL-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000844171945 583256779 /nfs/dbraw/zinc/25/67/79/583256779.db2.gz PVJJXDWWXGDPMN-GFCCVEGCSA-N 2 1 282.388 -0.606 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844172690 583256796 /nfs/dbraw/zinc/25/67/96/583256796.db2.gz GHUAEPFDBXVEEJ-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CSC[NH2+]1 ZINC000844179851 583258027 /nfs/dbraw/zinc/25/80/27/583258027.db2.gz MSORSRHWEHLVFB-OUAUKWLOSA-N 2 1 271.386 -0.372 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CSC[NH2+]1 ZINC000844179851 583258029 /nfs/dbraw/zinc/25/80/29/583258029.db2.gz MSORSRHWEHLVFB-OUAUKWLOSA-N 2 1 271.386 -0.372 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000846716617 583385926 /nfs/dbraw/zinc/38/59/26/583385926.db2.gz DFCVWIHDOANTRO-VXGBXAGGSA-N 2 1 256.394 -0.134 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(C)=O ZINC000848981200 583463802 /nfs/dbraw/zinc/46/38/02/583463802.db2.gz AEMINMMTFFFPCO-NSHDSACASA-N 2 1 255.366 -0.279 20 0 CBADMP CC(C)NC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000848986395 583464667 /nfs/dbraw/zinc/46/46/67/583464667.db2.gz NLZUTQWHJXDWTO-UHFFFAOYSA-N 2 1 255.366 -0.327 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCNC(=O)C1 ZINC000849017220 583468076 /nfs/dbraw/zinc/46/80/76/583468076.db2.gz MUOYFHGFCCFKEZ-LBPRGKRZSA-N 2 1 296.419 -0.984 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCN1CCC1 ZINC000849014642 583468224 /nfs/dbraw/zinc/46/82/24/583468224.db2.gz ILXXYXAKAAJFGR-UHFFFAOYSA-N 2 1 269.393 -0.472 20 0 CBADMP [NH2+]=C(NCCCCCO)NCCC[NH+]1CCOCC1 ZINC000849023868 583469145 /nfs/dbraw/zinc/46/91/45/583469145.db2.gz IRUBYYGJUKFXLW-UHFFFAOYSA-N 2 1 272.393 -0.015 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCC(F)F ZINC000849026086 583469158 /nfs/dbraw/zinc/46/91/58/583469158.db2.gz UIHFGOCYVSERCP-SECBINFHSA-N 2 1 291.346 -0.034 20 0 CBADMP C[C@H](O)CCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849023658 583469274 /nfs/dbraw/zinc/46/92/74/583469274.db2.gz RUEMMYRANWMEIJ-LBPRGKRZSA-N 2 1 272.393 -0.016 20 0 CBADMP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCCO ZINC000849033850 583469883 /nfs/dbraw/zinc/46/98/83/583469883.db2.gz CBMVBQSZCNVLDR-NEPJUHHUSA-N 2 1 272.393 -0.018 20 0 CBADMP COC[C@H](C)NC(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000849038910 583470694 /nfs/dbraw/zinc/47/06/94/583470694.db2.gz YCHATYAPDARIBM-JTQLQIEISA-N 2 1 258.366 -0.408 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000851656435 583518165 /nfs/dbraw/zinc/51/81/65/583518165.db2.gz LCTUZZQFZVWCTC-SDDRHHMPSA-N 2 1 270.377 -0.243 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)NCC12CC(C1)C[NH2+]2 ZINC000851657085 583518236 /nfs/dbraw/zinc/51/82/36/583518236.db2.gz UVMCONLIPFGPSZ-FMPXUHTOSA-N 2 1 294.399 -0.099 20 0 CBADMP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000851657140 583518259 /nfs/dbraw/zinc/51/82/59/583518259.db2.gz VJHOURZQFBZDAG-ICRTXTNUSA-N 2 1 294.399 -0.018 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000851689590 583521965 /nfs/dbraw/zinc/52/19/65/583521965.db2.gz QWLXQOSDVDIZKJ-VHSXEESVSA-N 2 1 256.350 -0.950 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000851689936 583522173 /nfs/dbraw/zinc/52/21/73/583522173.db2.gz WBOJNFKCXVXUJD-NWDGAFQWSA-N 2 1 296.415 -0.027 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H]1COCCO1 ZINC000852496501 583547659 /nfs/dbraw/zinc/54/76/59/583547659.db2.gz RIIAYVYWFILJHA-AWEZNQCLSA-N 2 1 271.405 -0.029 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852753738 583551625 /nfs/dbraw/zinc/55/16/25/583551625.db2.gz HHRJVDNWDGNLKU-CYBMUJFWSA-N 2 1 253.346 -0.173 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852753738 583551626 /nfs/dbraw/zinc/55/16/26/583551626.db2.gz HHRJVDNWDGNLKU-CYBMUJFWSA-N 2 1 253.346 -0.173 20 0 CBADMP COC(=O)NC1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000852761112 583552218 /nfs/dbraw/zinc/55/22/18/583552218.db2.gz HJCKOTXENSOFPG-NSHDSACASA-N 2 1 257.334 -0.205 20 0 CBADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000852798093 583553338 /nfs/dbraw/zinc/55/33/38/583553338.db2.gz GASHCVJXDJGDIC-AVGNSLFASA-N 2 1 285.388 -0.282 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852860630 583562440 /nfs/dbraw/zinc/56/24/40/583562440.db2.gz TUPNWJWOZSSAMT-WDEREUQCSA-N 2 1 268.361 -0.110 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852860645 583562548 /nfs/dbraw/zinc/56/25/48/583562548.db2.gz TZJJQNMCPFWQAH-JTQLQIEISA-N 2 1 272.349 -0.826 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852861764 583562861 /nfs/dbraw/zinc/56/28/61/583562861.db2.gz IYKFCZBIFRGXJK-QWRGUYRKSA-N 2 1 268.361 -0.064 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852861763 583562885 /nfs/dbraw/zinc/56/28/85/583562885.db2.gz IYKFCZBIFRGXJK-MNOVXSKESA-N 2 1 268.361 -0.064 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)=NO1 ZINC000852865620 583563967 /nfs/dbraw/zinc/56/39/67/583563967.db2.gz JZUCHMBUROYGQY-MNOVXSKESA-N 2 1 266.345 -0.310 20 0 CBADMP C[C@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)[N@@H+](C)C1CC1 ZINC000852865165 583564179 /nfs/dbraw/zinc/56/41/79/583564179.db2.gz SVZNDBCIZQILNO-SCZZXKLOSA-N 2 1 254.334 -0.311 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852873309 583565509 /nfs/dbraw/zinc/56/55/09/583565509.db2.gz RIIORWAUNJRNHA-LBPRGKRZSA-N 2 1 297.403 -0.766 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852880904 583566785 /nfs/dbraw/zinc/56/67/85/583566785.db2.gz GAYDGUHHJATSTH-KCJUWKMLSA-N 2 1 258.297 -0.750 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852884887 583568411 /nfs/dbraw/zinc/56/84/11/583568411.db2.gz PTJLBMKANLVDQB-FOGDFJRCSA-N 2 1 268.361 -0.111 20 0 CBADMP [NH3+]C[C@H]1CC(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)=NO1 ZINC000852889897 583569673 /nfs/dbraw/zinc/56/96/73/583569673.db2.gz GPSBUJCRZWNQJT-DGCLKSJQSA-N 2 1 289.339 -0.342 20 0 CBADMP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000852913676 583574028 /nfs/dbraw/zinc/57/40/28/583574028.db2.gz CJTHCXFOJAFWLS-ZIAGYGMSSA-N 2 1 296.415 -0.739 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852914577 583574113 /nfs/dbraw/zinc/57/41/13/583574113.db2.gz BVSGMPWJFRSGOR-VHSXEESVSA-N 2 1 254.334 -0.310 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000857102366 583664502 /nfs/dbraw/zinc/66/45/02/583664502.db2.gz OTGWKXLPSOWRHE-DCAQKATOSA-N 2 1 258.366 -0.258 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000857102366 583664505 /nfs/dbraw/zinc/66/45/05/583664505.db2.gz OTGWKXLPSOWRHE-DCAQKATOSA-N 2 1 258.366 -0.258 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC[C@H](C)[NH3+])C1 ZINC000857102657 583664806 /nfs/dbraw/zinc/66/48/06/583664806.db2.gz JFVQATJRRXTJLI-WDEREUQCSA-N 2 1 258.366 -0.256 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000857107568 583665006 /nfs/dbraw/zinc/66/50/06/583665006.db2.gz ZGYQWNAZPIGRND-NWDGAFQWSA-N 2 1 297.403 -0.671 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000857109537 583665304 /nfs/dbraw/zinc/66/53/04/583665304.db2.gz NJQNJBGUOFPYOV-QWRGUYRKSA-N 2 1 258.366 -0.568 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000857109537 583665306 /nfs/dbraw/zinc/66/53/06/583665306.db2.gz NJQNJBGUOFPYOV-QWRGUYRKSA-N 2 1 258.366 -0.568 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000857110292 583665503 /nfs/dbraw/zinc/66/55/03/583665503.db2.gz ROFCAQCDCVRHCT-NWDGAFQWSA-N 2 1 272.393 -0.130 20 0 CBADMP C[NH+](C)C[C@H]1CCCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000858377724 583693355 /nfs/dbraw/zinc/69/33/55/583693355.db2.gz BSDPKHNJXRTWSS-MRVPVSSYSA-N 2 1 251.338 -0.186 20 0 CBADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859959632 583735051 /nfs/dbraw/zinc/73/50/51/583735051.db2.gz QJDPSPIICKABHL-TUAOUCFPSA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859959632 583735052 /nfs/dbraw/zinc/73/50/52/583735052.db2.gz QJDPSPIICKABHL-TUAOUCFPSA-N 2 1 255.362 -0.361 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000861604999 583772212 /nfs/dbraw/zinc/77/22/12/583772212.db2.gz WEYREDZOJDTNQO-SECBINFHSA-N 2 1 268.365 -0.025 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000861634748 583773661 /nfs/dbraw/zinc/77/36/61/583773661.db2.gz SDEUVXOUZADPKH-LLVKDONJSA-N 2 1 258.366 -0.303 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000861712829 583780493 /nfs/dbraw/zinc/78/04/93/583780493.db2.gz URBYTIKIQCAKSB-XQQFMLRXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)C1 ZINC000861712829 583780495 /nfs/dbraw/zinc/78/04/95/583780495.db2.gz URBYTIKIQCAKSB-XQQFMLRXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)C1 ZINC000861712829 583780496 /nfs/dbraw/zinc/78/04/96/583780496.db2.gz URBYTIKIQCAKSB-XQQFMLRXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000861742852 583782990 /nfs/dbraw/zinc/78/29/90/583782990.db2.gz MFOAVTRZAADVPD-UWVGGRQHSA-N 2 1 268.361 -0.855 20 0 CBADMP [NH3+]CCCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549716 583846326 /nfs/dbraw/zinc/84/63/26/583846326.db2.gz PSVSWHGSTPYZSD-NEPJUHHUSA-N 2 1 268.361 -0.408 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N(C)C[C@H](C)[NH3+])CC1 ZINC000863570700 583847227 /nfs/dbraw/zinc/84/72/27/583847227.db2.gz YWTUFOGHKWYFMG-NWDGAFQWSA-N 2 1 256.394 -0.182 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863570703 583847364 /nfs/dbraw/zinc/84/73/64/583847364.db2.gz YWTUFOGHKWYFMG-VXGBXAGGSA-N 2 1 256.394 -0.182 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000863758181 583853596 /nfs/dbraw/zinc/85/35/96/583853596.db2.gz WOHMSHWPHCHPOH-NSHDSACASA-N 2 1 282.388 -0.511 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000863761444 583854277 /nfs/dbraw/zinc/85/42/77/583854277.db2.gz HFVMCIQAJKPHGY-XQQFMLRXSA-N 2 1 298.431 -0.019 20 0 CBADMP [NH3+]CC12CCC(CC1)N2C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000864057353 583866528 /nfs/dbraw/zinc/86/65/28/583866528.db2.gz NPLYZMMFDQOISI-SBEAFCBVSA-N 2 1 294.399 -0.187 20 0 CBADMP C[C@H]([NH3+])Cn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000864631177 583885186 /nfs/dbraw/zinc/88/51/86/583885186.db2.gz UXCRWJULQITGRR-NSHDSACASA-N 2 1 253.350 -0.110 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C=C/CN1CCOCC1 ZINC000865706476 583907855 /nfs/dbraw/zinc/90/78/55/583907855.db2.gz XAGPVBYTDBDHSO-XGACYXMMSA-N 2 1 296.415 -0.763 20 0 CBADMP CN1CCN(C)[C@@H](CNC(=O)/C=C/CN2CCOCC2)C1 ZINC000865706476 583907857 /nfs/dbraw/zinc/90/78/57/583907857.db2.gz XAGPVBYTDBDHSO-XGACYXMMSA-N 2 1 296.415 -0.763 20 0 CBADMP C[C@H](O)[C@H](O)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000865739895 583908355 /nfs/dbraw/zinc/90/83/55/583908355.db2.gz XKJPBYKOTNVUCH-WCQYABFASA-N 2 1 295.387 -0.940 20 0 CBADMP C[NH+]1CCC([NH2+]C[C@@]23COCCN2C(=O)COC3)CC1 ZINC000865801338 583909916 /nfs/dbraw/zinc/90/99/16/583909916.db2.gz VRZLIWOGIYJKEV-AWEZNQCLSA-N 2 1 283.372 -0.702 20 0 CBADMP C[NH+]1CCC([NH2+]C[C@]23COCCN2C(=O)COC3)CC1 ZINC000865801339 583909970 /nfs/dbraw/zinc/90/99/70/583909970.db2.gz VRZLIWOGIYJKEV-CQSZACIVSA-N 2 1 283.372 -0.702 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000866665378 583926453 /nfs/dbraw/zinc/92/64/53/583926453.db2.gz CLJFXAOVZHILOH-GFCCVEGCSA-N 2 1 250.350 -0.172 20 0 CBADMP Cn1nnnc1CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000866665378 583926456 /nfs/dbraw/zinc/92/64/56/583926456.db2.gz CLJFXAOVZHILOH-GFCCVEGCSA-N 2 1 250.350 -0.172 20 0 CBADMP COC[C@@H](C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)OC ZINC000866711046 583928112 /nfs/dbraw/zinc/92/81/12/583928112.db2.gz AOAPJIFRUFRUSB-LPWJVIDDSA-N 2 1 299.371 -0.485 20 0 CBADMP CN(C)C(=O)CC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712142 583928119 /nfs/dbraw/zinc/92/81/19/583928119.db2.gz RFDJAYZEHGUHKZ-TUAOUCFPSA-N 2 1 296.371 -0.668 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712164 583928446 /nfs/dbraw/zinc/92/84/46/583928446.db2.gz RHKAXBUTWXGDDG-YFKTTZPYSA-N 2 1 296.371 -0.670 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712164 583928448 /nfs/dbraw/zinc/92/84/48/583928448.db2.gz RHKAXBUTWXGDDG-YFKTTZPYSA-N 2 1 296.371 -0.670 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)[C@@H]12 ZINC000866717672 583928601 /nfs/dbraw/zinc/92/86/01/583928601.db2.gz MCEXCXHNWUFQKT-JHJVBQTASA-N 2 1 295.383 -0.513 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)[C@@H]12 ZINC000866717672 583928603 /nfs/dbraw/zinc/92/86/03/583928603.db2.gz MCEXCXHNWUFQKT-JHJVBQTASA-N 2 1 295.383 -0.513 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)[C@H]12 ZINC000866717462 583928719 /nfs/dbraw/zinc/92/87/19/583928719.db2.gz GFDSAXLPKUVQQE-OLZOCXBDSA-N 2 1 267.373 -0.035 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000866726324 583929161 /nfs/dbraw/zinc/92/91/61/583929161.db2.gz YSVSZZAWJYBBHK-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000866806935 583933485 /nfs/dbraw/zinc/93/34/85/583933485.db2.gz OEBPHLLJDQQJSM-MGCOHNPYSA-N 2 1 261.391 -0.263 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000868388218 583976629 /nfs/dbraw/zinc/97/66/29/583976629.db2.gz XAGAGOWKFGQUFI-JHJVBQTASA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000868387151 583976639 /nfs/dbraw/zinc/97/66/39/583976639.db2.gz PXWCOQAAFOBMBG-UTUOFQBUSA-N 2 1 280.372 -0.901 20 0 CBADMP 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 583977395 /nfs/dbraw/zinc/97/73/95/583977395.db2.gz AYRPGJRQKZNHJU-CYDGBPFRSA-N 2 1 292.383 -0.888 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868392138 583977413 /nfs/dbraw/zinc/97/74/13/583977413.db2.gz SVXMOUKJFKPMJQ-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868402745 583977469 /nfs/dbraw/zinc/97/74/69/583977469.db2.gz SHUKQJNQCPMCSW-FVCCEPFGSA-N 2 1 294.399 -0.513 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000868405694 583977985 /nfs/dbraw/zinc/97/79/85/583977985.db2.gz JNGMSHACFOLVDD-UHFFFAOYSA-N 2 1 270.377 -0.654 20 0 CBADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)[NH+](C)C ZINC000869780032 584004280 /nfs/dbraw/zinc/00/42/80/584004280.db2.gz MYIRUIMLWMEDQE-QWRGUYRKSA-N 2 1 257.378 -0.102 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870885184 584020505 /nfs/dbraw/zinc/02/05/05/584020505.db2.gz DDAXZKWRBQXZQN-JVWICGRDSA-N 2 1 280.416 -0.119 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)CC[C@@H]21 ZINC000870981046 584023998 /nfs/dbraw/zinc/02/39/98/584023998.db2.gz FLVJNHFFZJPMDC-AGIUHOORSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCC(=O)N1CCOCC1)C2 ZINC000872153283 584048180 /nfs/dbraw/zinc/04/81/80/584048180.db2.gz GWTOMYFAYDWTJD-GXTWGEPZSA-N 2 1 267.373 -0.223 20 0 CBADMP COC(=O)C1CC([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000872228034 584051479 /nfs/dbraw/zinc/05/14/79/584051479.db2.gz VAIBSKGEAUEWOX-RTYFJBAXSA-N 2 1 256.346 -0.017 20 0 CBADMP COC(=O)C1CC([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000872228034 584051480 /nfs/dbraw/zinc/05/14/80/584051480.db2.gz VAIBSKGEAUEWOX-RTYFJBAXSA-N 2 1 256.346 -0.017 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@]12COC(=O)N1CCOC2)C1CC1 ZINC000872229433 584051644 /nfs/dbraw/zinc/05/16/44/584051644.db2.gz QTZITQJNXDXPLP-GXTWGEPZSA-N 2 1 299.371 -0.748 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@]12COC(=O)N1CCOC2)C1CC1 ZINC000872229433 584051646 /nfs/dbraw/zinc/05/16/46/584051646.db2.gz QTZITQJNXDXPLP-GXTWGEPZSA-N 2 1 299.371 -0.748 20 0 CBADMP Nc1cnc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cn1 ZINC000873210259 584068853 /nfs/dbraw/zinc/06/88/53/584068853.db2.gz AIHUIHFTVDGHPI-GFCCVEGCSA-N 2 1 262.361 -0.462 20 0 CBADMP C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)[C@@H]1CCC[NH2+]1 ZINC000873249391 584069271 /nfs/dbraw/zinc/06/92/71/584069271.db2.gz NCZXUZUMCQQXBU-GVXVVHGQSA-N 2 1 269.345 -0.062 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C[NH+]2CCCC2)C1 ZINC000874281900 584080487 /nfs/dbraw/zinc/08/04/87/584080487.db2.gz WEWPKMWBZSGJKE-ZDUSSCGKSA-N 2 1 296.415 -0.214 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876713847 584140478 /nfs/dbraw/zinc/14/04/78/584140478.db2.gz UKMHPZNRWMONCD-OLZOCXBDSA-N 2 1 286.420 -0.652 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H](N)C[NH+](C)C)C[C@H](C)O1 ZINC000876715760 584140734 /nfs/dbraw/zinc/14/07/34/584140734.db2.gz ACIPLLLMTGCWGB-XQQFMLRXSA-N 2 1 286.420 -0.509 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876729201 584141312 /nfs/dbraw/zinc/14/13/12/584141312.db2.gz HELZQVFWDMGTNP-PWSUYJOCSA-N 2 1 267.377 -0.167 20 0 CBADMP COC[C@]1(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C[NH2+]CCO1 ZINC000876728467 584141334 /nfs/dbraw/zinc/14/13/34/584141334.db2.gz MXIBHFBAAFSYRV-HIFRSBDPSA-N 2 1 299.415 -0.208 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000876743677 584141592 /nfs/dbraw/zinc/14/15/92/584141592.db2.gz HHHVDRZUUARRLO-XPCVCDNBSA-N 2 1 297.399 -0.267 20 0 CBADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876735006 584141788 /nfs/dbraw/zinc/14/17/88/584141788.db2.gz CCDICEKQBHALDT-AWEZNQCLSA-N 2 1 299.463 -0.735 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876745071 584141927 /nfs/dbraw/zinc/14/19/27/584141927.db2.gz YPZOFERSIFZYSP-UMSGYPCISA-N 2 1 285.363 -0.087 20 0 CBADMP [NH3+]C[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCCOC1 ZINC000876743775 584141946 /nfs/dbraw/zinc/14/19/46/584141946.db2.gz IMKIHGQROBSONG-UMVBOHGHSA-N 2 1 297.399 -0.279 20 0 CBADMP CC[N@@H+](CCNC(=O)CN1CC[NH2+]CC1)C(C)C ZINC000876750141 584142202 /nfs/dbraw/zinc/14/22/02/584142202.db2.gz TVKYNLDDYVRYHP-UHFFFAOYSA-N 2 1 256.394 -0.262 20 0 CBADMP COC[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[NH2+]CCO1 ZINC000876754034 584142424 /nfs/dbraw/zinc/14/24/24/584142424.db2.gz LVRYDKNEOCHPHB-DZGCQCFKSA-N 2 1 297.399 -0.408 20 0 CBADMP CN(C)c1cc(NC(=O)[C@@H](N)C[NH+](C)C)cc[nH+]1 ZINC000876777625 584144016 /nfs/dbraw/zinc/14/40/16/584144016.db2.gz YKRSNYMVZCPLFL-JTQLQIEISA-N 2 1 251.334 -0.025 20 0 CBADMP COC[C@]1(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876780143 584144219 /nfs/dbraw/zinc/14/42/19/584144219.db2.gz DRSTXXLHVLMMAD-XUJVJEKNSA-N 2 1 297.399 -0.267 20 0 CBADMP O=C(NCC[N@@H+]1CCCOCC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876891138 584153616 /nfs/dbraw/zinc/15/36/16/584153616.db2.gz RCMPDZYBGWGPIM-NEPJUHHUSA-N 2 1 273.352 -0.228 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876891138 584153618 /nfs/dbraw/zinc/15/36/18/584153618.db2.gz RCMPDZYBGWGPIM-NEPJUHHUSA-N 2 1 273.352 -0.228 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876932524 584156472 /nfs/dbraw/zinc/15/64/72/584156472.db2.gz OHLAXBIYLVNUFH-LBPRGKRZSA-N 2 1 286.420 -0.556 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876943093 584156991 /nfs/dbraw/zinc/15/69/91/584156991.db2.gz BODSPTVMEZHRDZ-LBPRGKRZSA-N 2 1 258.410 -0.031 20 0 CBADMP COC[C@@]1(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C[NH2+]CCO1 ZINC000876959210 584158302 /nfs/dbraw/zinc/15/83/02/584158302.db2.gz QADVGWLMUKYEDN-SWLSCSKDSA-N 2 1 299.415 -0.020 20 0 CBADMP COC[C@]1(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C[NH2+]CCO1 ZINC000876959211 584158341 /nfs/dbraw/zinc/15/83/41/584158341.db2.gz QADVGWLMUKYEDN-WFASDCNBSA-N 2 1 299.415 -0.020 20 0 CBADMP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000876973197 584159154 /nfs/dbraw/zinc/15/91/54/584159154.db2.gz XQZFMDGPIWKJSQ-RWMBFGLXSA-N 2 1 280.416 -0.134 20 0 CBADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000876973392 584159188 /nfs/dbraw/zinc/15/91/88/584159188.db2.gz ZIOLVOZSEBACRZ-YPPIOFQSSA-N 2 1 292.427 -0.096 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[NH2+]CCO3)CC[C@@H]21 ZINC000877248521 584172287 /nfs/dbraw/zinc/17/22/87/584172287.db2.gz AVTJHJZVNNVOAA-DYEKYZERSA-N 2 1 267.373 -0.083 20 0 CBADMP COC[C@]1(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)C[NH2+]CCO1 ZINC000877451453 584182410 /nfs/dbraw/zinc/18/24/10/584182410.db2.gz MLQXUMHYSUDQCY-YDHLFZDLSA-N 2 1 297.399 -0.314 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+](CCO)CC2CC2)CC1 ZINC000877996980 584189981 /nfs/dbraw/zinc/18/99/81/584189981.db2.gz XNAVTFABCZWGFF-UHFFFAOYSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC(NC(=O)CN2CC[NH+](C3CC3)CC2)CC1 ZINC000877999958 584190270 /nfs/dbraw/zinc/19/02/70/584190270.db2.gz AVTKPPROQGBHGY-UHFFFAOYSA-N 2 1 280.416 -0.023 20 0 CBADMP CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878161789 584194497 /nfs/dbraw/zinc/19/44/97/584194497.db2.gz CFVWXZBDNMZXKT-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878319500 584199453 /nfs/dbraw/zinc/19/94/53/584199453.db2.gz UPKWTIQSICANMA-CMPLNLGQSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H]1O ZINC000878321678 584199818 /nfs/dbraw/zinc/19/98/18/584199818.db2.gz SGPJAOUYEHPCMO-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[N@H+](CCn2cnnn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878324965 584199878 /nfs/dbraw/zinc/19/98/78/584199878.db2.gz PPAAOAYGQUJLCG-ZIAGYGMSSA-N 2 1 293.419 -0.369 20 0 CBADMP C[C@@H]1C[N@@H+](CCn2cnnn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878324965 584199881 /nfs/dbraw/zinc/19/98/81/584199881.db2.gz PPAAOAYGQUJLCG-ZIAGYGMSSA-N 2 1 293.419 -0.369 20 0 CBADMP CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878548658 584207984 /nfs/dbraw/zinc/20/79/84/584207984.db2.gz ZVJOVVNPTNIENA-OAHLLOKOSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](O)(C(F)F)C2)CC1 ZINC000878670513 584213035 /nfs/dbraw/zinc/21/30/35/584213035.db2.gz XVQUFNZBRITAAG-CYBMUJFWSA-N 2 1 291.342 -0.101 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](O)(C(F)F)C2)CC1 ZINC000878670513 584213036 /nfs/dbraw/zinc/21/30/36/584213036.db2.gz XVQUFNZBRITAAG-CYBMUJFWSA-N 2 1 291.342 -0.101 20 0 CBADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000879001182 584223401 /nfs/dbraw/zinc/22/34/01/584223401.db2.gz RUGIHEKFTBIJEJ-GFCCVEGCSA-N 2 1 268.365 -0.284 20 0 CBADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000879001182 584223402 /nfs/dbraw/zinc/22/34/02/584223402.db2.gz RUGIHEKFTBIJEJ-GFCCVEGCSA-N 2 1 268.365 -0.284 20 0 CBADMP CO[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@](C)(CO)C1 ZINC000879261449 584230907 /nfs/dbraw/zinc/23/09/07/584230907.db2.gz KMRDAZHRJZEZAT-UKRRQHHQSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@@H+]1CC[C@H]2C[NH+](CCCN3C(=O)CNC3=O)CC[C@H]21 ZINC000879573694 584241245 /nfs/dbraw/zinc/24/12/45/584241245.db2.gz PUIHTAZLEAJKOD-NWDGAFQWSA-N 2 1 280.372 -0.046 20 0 CBADMP C[N@H+]1CC[C@H]2C[NH+](CCCN3C(=O)CNC3=O)CC[C@H]21 ZINC000879573694 584241247 /nfs/dbraw/zinc/24/12/47/584241247.db2.gz PUIHTAZLEAJKOD-NWDGAFQWSA-N 2 1 280.372 -0.046 20 0 CBADMP C[NH+]1CC[C@H]2C[N@H+](CCCN3C(=O)CNC3=O)CC[C@H]21 ZINC000879573694 584241250 /nfs/dbraw/zinc/24/12/50/584241250.db2.gz PUIHTAZLEAJKOD-NWDGAFQWSA-N 2 1 280.372 -0.046 20 0 CBADMP C[NH+]1CC[C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)CC[C@H]21 ZINC000879573694 584241252 /nfs/dbraw/zinc/24/12/52/584241252.db2.gz PUIHTAZLEAJKOD-NWDGAFQWSA-N 2 1 280.372 -0.046 20 0 CBADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)CC[C@H]21 ZINC000879573696 584241273 /nfs/dbraw/zinc/24/12/73/584241273.db2.gz PUIHTAZLEAJKOD-VXGBXAGGSA-N 2 1 280.372 -0.046 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)CC[C@H]21 ZINC000879573696 584241276 /nfs/dbraw/zinc/24/12/76/584241276.db2.gz PUIHTAZLEAJKOD-VXGBXAGGSA-N 2 1 280.372 -0.046 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)CC[C@H]21 ZINC000879573696 584241278 /nfs/dbraw/zinc/24/12/78/584241278.db2.gz PUIHTAZLEAJKOD-VXGBXAGGSA-N 2 1 280.372 -0.046 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)CC[C@H]21 ZINC000879573696 584241281 /nfs/dbraw/zinc/24/12/81/584241281.db2.gz PUIHTAZLEAJKOD-VXGBXAGGSA-N 2 1 280.372 -0.046 20 0 CBADMP CONC(=O)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000879923573 584254164 /nfs/dbraw/zinc/25/41/64/584254164.db2.gz VYGUHGLXIWASJD-ZDUSSCGKSA-N 2 1 285.388 -0.167 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000879998381 584259103 /nfs/dbraw/zinc/25/91/03/584259103.db2.gz RKFTYVHNAXLEIE-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879998717 584259308 /nfs/dbraw/zinc/25/93/08/584259308.db2.gz YOPYDEXPJGZSIL-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CCNC1=O ZINC000880663782 584285640 /nfs/dbraw/zinc/28/56/40/584285640.db2.gz DWNIELDJDXTMSL-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CCNC1=O ZINC000880663782 584285641 /nfs/dbraw/zinc/28/56/41/584285641.db2.gz DWNIELDJDXTMSL-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CCNC1=O ZINC000880663783 584285664 /nfs/dbraw/zinc/28/56/64/584285664.db2.gz DWNIELDJDXTMSL-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CCNC1=O ZINC000880663783 584285665 /nfs/dbraw/zinc/28/56/65/584285665.db2.gz DWNIELDJDXTMSL-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000882487026 584318508 /nfs/dbraw/zinc/31/85/08/584318508.db2.gz QUSPNOVSRZQJLV-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000882487026 584318510 /nfs/dbraw/zinc/31/85/10/584318510.db2.gz QUSPNOVSRZQJLV-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000882486830 584318694 /nfs/dbraw/zinc/31/86/94/584318694.db2.gz XFOKMWRNCFADAQ-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000882486830 584318697 /nfs/dbraw/zinc/31/86/97/584318697.db2.gz XFOKMWRNCFADAQ-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@@H+](CCNc1ccncc1F)CCOCCO ZINC000882950918 584334816 /nfs/dbraw/zinc/33/48/16/584334816.db2.gz GMJPHQJPGGGSRC-UHFFFAOYSA-N 2 1 257.309 -0.005 20 0 CBADMP NS(=O)(=O)CCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000883424121 584341738 /nfs/dbraw/zinc/34/17/38/584341738.db2.gz HEZGJBWISFFXGH-UHFFFAOYSA-N 2 1 261.391 -0.260 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000884180294 584364507 /nfs/dbraw/zinc/36/45/07/584364507.db2.gz SQZZNFHFULABBT-CHWSQXEVSA-N 2 1 287.404 -0.177 20 0 CBADMP COCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000884180295 584364536 /nfs/dbraw/zinc/36/45/36/584364536.db2.gz SQZZNFHFULABBT-OLZOCXBDSA-N 2 1 287.404 -0.177 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](CC(C)C)[NH2+]C)CC1 ZINC000884190673 584365246 /nfs/dbraw/zinc/36/52/46/584365246.db2.gz JTIFNDFBULMBHH-ZDUSSCGKSA-N 2 1 298.431 -0.053 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000884220587 584368616 /nfs/dbraw/zinc/36/86/16/584368616.db2.gz XJBMAWCCAMILIZ-AGIUHOORSA-N 2 1 285.388 -0.280 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000884358192 584376277 /nfs/dbraw/zinc/37/62/77/584376277.db2.gz MEHBJATUVKTVAY-DCAQKATOSA-N 2 1 255.362 -0.051 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000884358192 584376279 /nfs/dbraw/zinc/37/62/79/584376279.db2.gz MEHBJATUVKTVAY-DCAQKATOSA-N 2 1 255.362 -0.051 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884545556 584387313 /nfs/dbraw/zinc/38/73/13/584387313.db2.gz LJLQRXDLVNDGNZ-ONGXEEELSA-N 2 1 279.344 -0.744 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000884554348 584387722 /nfs/dbraw/zinc/38/77/22/584387722.db2.gz RJJPASJRXFXNBI-DMDPSCGWSA-N 2 1 294.399 -0.323 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[N@H+]1C1CC1 ZINC000884553970 584387780 /nfs/dbraw/zinc/38/77/80/584387780.db2.gz KWAAOBOMLXGWPR-XZUYRWCXSA-N 2 1 292.383 -0.700 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884554372 584387824 /nfs/dbraw/zinc/38/78/24/584387824.db2.gz RYJLYVWCCRENMC-DCQANWLSSA-N 2 1 294.399 -0.467 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884555314 584387885 /nfs/dbraw/zinc/38/78/85/584387885.db2.gz ONGABHACFMFRNJ-UHTWSYAYSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)[N@@H+](C)C1CC1 ZINC000884616903 584391047 /nfs/dbraw/zinc/39/10/47/584391047.db2.gz DTVJRCJEWNCXGV-VWYCJHECSA-N 2 1 282.388 -0.467 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884617651 584391078 /nfs/dbraw/zinc/39/10/78/584391078.db2.gz PRBLHQWRLBHBAB-FRRDWIJNSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884617653 584391133 /nfs/dbraw/zinc/39/11/33/584391133.db2.gz PRBLHQWRLBHBAB-RWMBFGLXSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884617450 584391204 /nfs/dbraw/zinc/39/12/04/584391204.db2.gz MSAMBCRNKLQJGX-XQQFMLRXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C1=CC[N@@H+](C)CC1 ZINC000884623646 584391321 /nfs/dbraw/zinc/39/13/21/584391321.db2.gz KKISJEDITRKALB-NSHDSACASA-N 2 1 296.415 -0.003 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884659281 584393143 /nfs/dbraw/zinc/39/31/43/584393143.db2.gz NICYBXRLVNHSGP-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000884669901 584393741 /nfs/dbraw/zinc/39/37/41/584393741.db2.gz JUDHHXIXIYWKMH-VOAKCMCISA-N 2 1 294.399 -0.323 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000884674583 584394617 /nfs/dbraw/zinc/39/46/17/584394617.db2.gz ZUTHCWHLRLZPQM-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000884674583 584394619 /nfs/dbraw/zinc/39/46/19/584394619.db2.gz ZUTHCWHLRLZPQM-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NC3CC[NH2+]CC3)CC[C@@H]21 ZINC000884675675 584394650 /nfs/dbraw/zinc/39/46/50/584394650.db2.gz LOVULRMAFXZLAZ-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000884678319 584395076 /nfs/dbraw/zinc/39/50/76/584395076.db2.gz WYXAWPXKWCIXBD-GRYCIOLGSA-N 2 1 280.372 -0.983 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884684779 584395919 /nfs/dbraw/zinc/39/59/19/584395919.db2.gz PIFSZRLJVUXVOL-DCAQKATOSA-N 2 1 268.361 -0.998 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884687663 584396584 /nfs/dbraw/zinc/39/65/84/584396584.db2.gz DHKYVGDPTSKUJT-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884701589 584398633 /nfs/dbraw/zinc/39/86/33/584398633.db2.gz KZMMLFYKIGGDOZ-XQQFMLRXSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884702952 584398646 /nfs/dbraw/zinc/39/86/46/584398646.db2.gz OCTWWYDIRMOOST-NSHDSACASA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884702952 584398647 /nfs/dbraw/zinc/39/86/47/584398647.db2.gz OCTWWYDIRMOOST-NSHDSACASA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884705319 584399474 /nfs/dbraw/zinc/39/94/74/584399474.db2.gz PFJVQKYSFISWNM-GARJFASQSA-N 2 1 268.361 -0.998 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCC1(C)C ZINC000884707069 584399606 /nfs/dbraw/zinc/39/96/06/584399606.db2.gz XENQYIWUMICLCO-GFCCVEGCSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1(C)C ZINC000884714823 584399820 /nfs/dbraw/zinc/39/98/20/584399820.db2.gz BBGXOWRDDXEKPP-UHFFFAOYSA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1(C)C ZINC000884714823 584399822 /nfs/dbraw/zinc/39/98/22/584399822.db2.gz BBGXOWRDDXEKPP-UHFFFAOYSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884729663 584401234 /nfs/dbraw/zinc/40/12/34/584401234.db2.gz SSPYNLUMSOPGQS-QWRGUYRKSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884729663 584401235 /nfs/dbraw/zinc/40/12/35/584401235.db2.gz SSPYNLUMSOPGQS-QWRGUYRKSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884823756 584403965 /nfs/dbraw/zinc/40/39/65/584403965.db2.gz CUUJZJCUZIAMKY-WDEREUQCSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884823756 584403966 /nfs/dbraw/zinc/40/39/66/584403966.db2.gz CUUJZJCUZIAMKY-WDEREUQCSA-N 2 1 282.388 -0.594 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000886590563 584443891 /nfs/dbraw/zinc/44/38/91/584443891.db2.gz YQTMVAOOPUMOQN-NQBHXWOUSA-N 2 1 256.346 -0.016 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000886590563 584443893 /nfs/dbraw/zinc/44/38/93/584443893.db2.gz YQTMVAOOPUMOQN-NQBHXWOUSA-N 2 1 256.346 -0.016 20 0 CBADMP CC[N@@H+](C)C[C@H](O)Cn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887451201 584468128 /nfs/dbraw/zinc/46/81/28/584468128.db2.gz IXRLIZNRPJISKH-JSGCOSHPSA-N 2 1 296.419 -0.486 20 0 CBADMP C[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000887931649 584477966 /nfs/dbraw/zinc/47/79/66/584477966.db2.gz BVNVYYIBSDSRGP-HIFRSBDPSA-N 2 1 280.416 -0.356 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)CN3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000887931649 584477968 /nfs/dbraw/zinc/47/79/68/584477968.db2.gz BVNVYYIBSDSRGP-HIFRSBDPSA-N 2 1 280.416 -0.356 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000890057349 584539779 /nfs/dbraw/zinc/53/97/79/584539779.db2.gz CHHKEGCCPBPHGN-RWMBFGLXSA-N 2 1 282.388 -0.459 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000890057349 584539781 /nfs/dbraw/zinc/53/97/81/584539781.db2.gz CHHKEGCCPBPHGN-RWMBFGLXSA-N 2 1 282.388 -0.459 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000890057349 584539784 /nfs/dbraw/zinc/53/97/84/584539784.db2.gz CHHKEGCCPBPHGN-RWMBFGLXSA-N 2 1 282.388 -0.459 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000890059462 584540232 /nfs/dbraw/zinc/54/02/32/584540232.db2.gz IBQZWXRALFDVIM-QWHCGFSZSA-N 2 1 284.404 -0.211 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000890059462 584540234 /nfs/dbraw/zinc/54/02/34/584540234.db2.gz IBQZWXRALFDVIM-QWHCGFSZSA-N 2 1 284.404 -0.211 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000890059462 584540237 /nfs/dbraw/zinc/54/02/37/584540237.db2.gz IBQZWXRALFDVIM-QWHCGFSZSA-N 2 1 284.404 -0.211 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000890059462 584540239 /nfs/dbraw/zinc/54/02/39/584540239.db2.gz IBQZWXRALFDVIM-QWHCGFSZSA-N 2 1 284.404 -0.211 20 0 CBADMP CN(C)CC[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000891340986 584579417 /nfs/dbraw/zinc/57/94/17/584579417.db2.gz XEYCZWKTWXWWEW-KBPBESRZSA-N 2 1 295.431 -0.232 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891492802 584582523 /nfs/dbraw/zinc/58/25/23/584582523.db2.gz JGALZLNACHFPME-WDEREUQCSA-N 2 1 258.366 -0.304 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000891513944 584583416 /nfs/dbraw/zinc/58/34/16/584583416.db2.gz KHPDEANIMLUKMJ-LPWJVIDDSA-N 2 1 282.388 -0.114 20 0 CBADMP CCN(C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CC[NH2+]C1 ZINC000891540391 584584711 /nfs/dbraw/zinc/58/47/11/584584711.db2.gz QALNIDLXVSHAOV-OLZOCXBDSA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891540415 584584778 /nfs/dbraw/zinc/58/47/78/584584778.db2.gz QWBKZYAEIDWCCC-NEPJUHHUSA-N 2 1 269.393 -0.635 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000891539462 584584791 /nfs/dbraw/zinc/58/47/91/584584791.db2.gz BBCJKILVYSKGBY-FRRDWIJNSA-N 2 1 283.420 -0.199 20 0 CBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891560432 584586275 /nfs/dbraw/zinc/58/62/75/584586275.db2.gz NNGQAVIUQZPMNF-NHCYSSNCSA-N 2 1 250.346 -0.021 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891560433 584586397 /nfs/dbraw/zinc/58/63/97/584586397.db2.gz NNGQAVIUQZPMNF-SCVCMEIPSA-N 2 1 250.346 -0.021 20 0 CBADMP C[C@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000891604222 584587829 /nfs/dbraw/zinc/58/78/29/584587829.db2.gz WLGWMKRLMKCOPU-MGPQQGTHSA-N 2 1 297.447 -0.094 20 0 CBADMP C[C@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000891697438 584590139 /nfs/dbraw/zinc/59/01/39/584590139.db2.gz DCUNQEVRELDASQ-BJDJZHNGSA-N 2 1 270.377 -0.258 20 0 CBADMP C[C@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000891697438 584590141 /nfs/dbraw/zinc/59/01/41/584590141.db2.gz DCUNQEVRELDASQ-BJDJZHNGSA-N 2 1 270.377 -0.258 20 0 CBADMP C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1C[N@H+](C)CCO1 ZINC000891699015 584590423 /nfs/dbraw/zinc/59/04/23/584590423.db2.gz XPKVXCFBAADSJJ-NOOOWODRSA-N 2 1 268.361 -0.539 20 0 CBADMP C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1C[N@@H+](C)CCO1 ZINC000891699015 584590427 /nfs/dbraw/zinc/59/04/27/584590427.db2.gz XPKVXCFBAADSJJ-NOOOWODRSA-N 2 1 268.361 -0.539 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000891972846 584596487 /nfs/dbraw/zinc/59/64/87/584596487.db2.gz LUYOQQSFSHBLCS-KGLIPLIRSA-N 2 1 295.431 -0.373 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000892049143 584601173 /nfs/dbraw/zinc/60/11/73/584601173.db2.gz SCWNDDIGYDWVIJ-NWDGAFQWSA-N 2 1 284.404 -0.132 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000892056814 584602365 /nfs/dbraw/zinc/60/23/65/584602365.db2.gz VISYZHQPGXUGCU-MNOVXSKESA-N 2 1 272.393 -0.132 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000892087954 584603878 /nfs/dbraw/zinc/60/38/78/584603878.db2.gz FWCACGSJWFTAPS-UWVGGRQHSA-N 2 1 258.366 -0.522 20 0 CBADMP CN1CCN(C(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@@H+](C)CC1 ZINC000892237713 584611125 /nfs/dbraw/zinc/61/11/25/584611125.db2.gz OKQPXOKFOOIZMG-CQSZACIVSA-N 2 1 297.447 -0.031 20 0 CBADMP CN1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC[NH+](C)CC1 ZINC000892237713 584611126 /nfs/dbraw/zinc/61/11/26/584611126.db2.gz OKQPXOKFOOIZMG-CQSZACIVSA-N 2 1 297.447 -0.031 20 0 CBADMP CN1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC[NH+](C)CC1 ZINC000892237713 584611129 /nfs/dbraw/zinc/61/11/29/584611129.db2.gz OKQPXOKFOOIZMG-CQSZACIVSA-N 2 1 297.447 -0.031 20 0 CBADMP C[N@H+]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1(C)C ZINC000892289836 584613273 /nfs/dbraw/zinc/61/32/73/584613273.db2.gz NYQYXMYCKIWYOC-LLVKDONJSA-N 2 1 270.377 -0.290 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892548200 584618057 /nfs/dbraw/zinc/61/80/57/584618057.db2.gz ABSSAAIRHAXKGO-UTUOFQBUSA-N 2 1 270.377 -0.568 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892548200 584618059 /nfs/dbraw/zinc/61/80/59/584618059.db2.gz ABSSAAIRHAXKGO-UTUOFQBUSA-N 2 1 270.377 -0.568 20 0 CBADMP CC1(C)CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1CCO ZINC000892553218 584618422 /nfs/dbraw/zinc/61/84/22/584618422.db2.gz KADLPFWUCFDBCS-TXEJJXNPSA-N 2 1 284.404 -0.178 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H](C)C1 ZINC000892570540 584619268 /nfs/dbraw/zinc/61/92/68/584619268.db2.gz PWIRSMWGCQYAPT-YVECIDJPSA-N 2 1 284.404 -0.180 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892586590 584620088 /nfs/dbraw/zinc/62/00/88/584620088.db2.gz VKAULQIGOXSCEJ-XJFOESAGSA-N 2 1 296.415 -0.117 20 0 CBADMP CCC1([NH3+])CCN(C(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000892934847 584630004 /nfs/dbraw/zinc/63/00/04/584630004.db2.gz KZIKTDPDUGTSJJ-LBPRGKRZSA-N 2 1 284.404 -0.034 20 0 CBADMP CC(=O)OC[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000892927288 584630101 /nfs/dbraw/zinc/63/01/01/584630101.db2.gz RXXIVGQARIVCCG-NSHDSACASA-N 2 1 271.361 -0.308 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[C@H]1C[NH+](C)CCO1 ZINC000893764244 584645177 /nfs/dbraw/zinc/64/51/77/584645177.db2.gz LIHUPMXSMKNMKW-IGQOVBAYSA-N 2 1 296.415 -0.092 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[C@H]1C[NH+](C)CCO1 ZINC000893764244 584645179 /nfs/dbraw/zinc/64/51/79/584645179.db2.gz LIHUPMXSMKNMKW-IGQOVBAYSA-N 2 1 296.415 -0.092 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[C@H]1C[N@H+](C)CCO1 ZINC000893764244 584645182 /nfs/dbraw/zinc/64/51/82/584645182.db2.gz LIHUPMXSMKNMKW-IGQOVBAYSA-N 2 1 296.415 -0.092 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000893764244 584645185 /nfs/dbraw/zinc/64/51/85/584645185.db2.gz LIHUPMXSMKNMKW-IGQOVBAYSA-N 2 1 296.415 -0.092 20 0 CBADMP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1(F)F ZINC000894469007 584658584 /nfs/dbraw/zinc/65/85/84/584658584.db2.gz HKCCTGINYBJTSP-YWVKMMECSA-N 2 1 278.299 -0.303 20 0 CBADMP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1(F)F ZINC000894469007 584658585 /nfs/dbraw/zinc/65/85/85/584658585.db2.gz HKCCTGINYBJTSP-YWVKMMECSA-N 2 1 278.299 -0.303 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000896260377 584694972 /nfs/dbraw/zinc/69/49/72/584694972.db2.gz YUPXYEUXLUORAQ-KBPBESRZSA-N 2 1 297.399 -0.456 20 0 CBADMP C[C@H](NC(=O)C1([NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896537447 584701555 /nfs/dbraw/zinc/70/15/55/584701555.db2.gz YWJCKPBIDFYJAG-RYUDHWBXSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CCN(C)CC[NH+](C)CC2)CC[N@H+]1C ZINC000896617781 584703989 /nfs/dbraw/zinc/70/39/89/584703989.db2.gz KADYEDBESCXMMB-KGLIPLIRSA-N 2 1 297.447 -0.032 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CCN(C)CC[N@H+](C)CC2)CC[NH+]1C ZINC000896617781 584703990 /nfs/dbraw/zinc/70/39/90/584703990.db2.gz KADYEDBESCXMMB-KGLIPLIRSA-N 2 1 297.447 -0.032 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CCN(C)CC[N@@H+](C)CC2)CC[NH+]1C ZINC000896617781 584703991 /nfs/dbraw/zinc/70/39/91/584703991.db2.gz KADYEDBESCXMMB-KGLIPLIRSA-N 2 1 297.447 -0.032 20 0 CBADMP COC(=O)[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCCN1C ZINC000897444905 584716526 /nfs/dbraw/zinc/71/65/26/584716526.db2.gz VWQCSHSJLWJVRP-QWRGUYRKSA-N 2 1 280.328 -0.365 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000897469295 584717293 /nfs/dbraw/zinc/71/72/93/584717293.db2.gz HULKKQUEWUFJSH-OLZOCXBDSA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000897469295 584717295 /nfs/dbraw/zinc/71/72/95/584717295.db2.gz HULKKQUEWUFJSH-OLZOCXBDSA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000897469295 584717296 /nfs/dbraw/zinc/71/72/96/584717296.db2.gz HULKKQUEWUFJSH-OLZOCXBDSA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000897469294 584717306 /nfs/dbraw/zinc/71/73/06/584717306.db2.gz HULKKQUEWUFJSH-CHWSQXEVSA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000897469294 584717308 /nfs/dbraw/zinc/71/73/08/584717308.db2.gz HULKKQUEWUFJSH-CHWSQXEVSA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000897469294 584717310 /nfs/dbraw/zinc/71/73/10/584717310.db2.gz HULKKQUEWUFJSH-CHWSQXEVSA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000897495192 584718233 /nfs/dbraw/zinc/71/82/33/584718233.db2.gz SMNDTNYIUGEBTO-OCCSQVGLSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H]1CCC[NH+]1CCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000897495192 584718235 /nfs/dbraw/zinc/71/82/35/584718235.db2.gz SMNDTNYIUGEBTO-OCCSQVGLSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H]1CCC[NH+]1CCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000897495192 584718236 /nfs/dbraw/zinc/71/82/36/584718236.db2.gz SMNDTNYIUGEBTO-OCCSQVGLSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000897550385 584720216 /nfs/dbraw/zinc/72/02/16/584720216.db2.gz IFMARNLWPGAEPL-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000897550385 584720217 /nfs/dbraw/zinc/72/02/17/584720217.db2.gz IFMARNLWPGAEPL-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000897550385 584720218 /nfs/dbraw/zinc/72/02/18/584720218.db2.gz IFMARNLWPGAEPL-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000897550385 584720219 /nfs/dbraw/zinc/72/02/19/584720219.db2.gz IFMARNLWPGAEPL-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000897559271 584720537 /nfs/dbraw/zinc/72/05/37/584720537.db2.gz GLCIRXMSWWZRDS-WCQYABFASA-N 2 1 294.399 -0.450 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000897559271 584720538 /nfs/dbraw/zinc/72/05/38/584720538.db2.gz GLCIRXMSWWZRDS-WCQYABFASA-N 2 1 294.399 -0.450 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000897559271 584720539 /nfs/dbraw/zinc/72/05/39/584720539.db2.gz GLCIRXMSWWZRDS-WCQYABFASA-N 2 1 294.399 -0.450 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000897559271 584720540 /nfs/dbraw/zinc/72/05/40/584720540.db2.gz GLCIRXMSWWZRDS-WCQYABFASA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1C[C@@H]2CCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)[C@@H]2C1 ZINC000897825805 584725309 /nfs/dbraw/zinc/72/53/09/584725309.db2.gz PESHUDIQNVFFTK-IACUBPJLSA-N 2 1 279.384 -0.130 20 0 CBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2CC)C1 ZINC000898127701 584731731 /nfs/dbraw/zinc/73/17/31/584731731.db2.gz ILQHLQJQZULIAE-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2CC)C1 ZINC000898127701 584731732 /nfs/dbraw/zinc/73/17/32/584731732.db2.gz ILQHLQJQZULIAE-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2CC)C1 ZINC000898127701 584731733 /nfs/dbraw/zinc/73/17/33/584731733.db2.gz ILQHLQJQZULIAE-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2CC)C1 ZINC000898127701 584731734 /nfs/dbraw/zinc/73/17/34/584731734.db2.gz ILQHLQJQZULIAE-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CN1CCN(C(=S)NCC[NH+](C)C)CC[N@@H+](C)CC1 ZINC000899653230 584762480 /nfs/dbraw/zinc/76/24/80/584762480.db2.gz PJFHUTJFBCGULU-UHFFFAOYSA-N 2 1 287.477 -0.398 20 0 CBADMP C[N@H+](CCO)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000899739166 584779191 /nfs/dbraw/zinc/77/91/91/584779191.db2.gz RGXTXFPMBJQRAY-UHFFFAOYSA-N 2 1 289.339 -0.079 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000899739166 584779192 /nfs/dbraw/zinc/77/91/92/584779192.db2.gz RGXTXFPMBJQRAY-UHFFFAOYSA-N 2 1 289.339 -0.079 20 0 CBADMP CN(C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)C1CC[NH+](C)CC1 ZINC000899909161 584784093 /nfs/dbraw/zinc/78/40/93/584784093.db2.gz LUQMKUYFDMYPQN-GXTWGEPZSA-N 2 1 269.389 -0.006 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000900221404 584795901 /nfs/dbraw/zinc/79/59/01/584795901.db2.gz PGQBYZMWFLZWRY-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900306605 584799381 /nfs/dbraw/zinc/79/93/81/584799381.db2.gz UOZKKLWRSPRTHE-MBNYWOFBSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900306605 584799382 /nfs/dbraw/zinc/79/93/82/584799382.db2.gz UOZKKLWRSPRTHE-MBNYWOFBSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900306605 584799384 /nfs/dbraw/zinc/79/93/84/584799384.db2.gz UOZKKLWRSPRTHE-MBNYWOFBSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000900441816 584804354 /nfs/dbraw/zinc/80/43/54/584804354.db2.gz ODFQNKFLNZIEOU-GUIRCDHDSA-N 2 1 297.399 -0.579 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000900441816 584804356 /nfs/dbraw/zinc/80/43/56/584804356.db2.gz ODFQNKFLNZIEOU-GUIRCDHDSA-N 2 1 297.399 -0.579 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000900441816 584804358 /nfs/dbraw/zinc/80/43/58/584804358.db2.gz ODFQNKFLNZIEOU-GUIRCDHDSA-N 2 1 297.399 -0.579 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900519216 584809694 /nfs/dbraw/zinc/80/96/94/584809694.db2.gz WKOILTTWOSBFEK-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP COCC[NH+](C)CCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900519216 584809695 /nfs/dbraw/zinc/80/96/95/584809695.db2.gz WKOILTTWOSBFEK-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP COCC[NH+](C)CCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900519216 584809696 /nfs/dbraw/zinc/80/96/96/584809696.db2.gz WKOILTTWOSBFEK-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900602782 584814941 /nfs/dbraw/zinc/81/49/41/584814941.db2.gz KFSRWPKGXSKGDW-HIFRSBDPSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900602782 584814943 /nfs/dbraw/zinc/81/49/43/584814943.db2.gz KFSRWPKGXSKGDW-HIFRSBDPSA-N 2 1 299.415 -0.642 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900622898 584816933 /nfs/dbraw/zinc/81/69/33/584816933.db2.gz HGMRWECDEKEZEB-OBJOEFQTSA-N 2 1 285.388 -0.722 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900622898 584816935 /nfs/dbraw/zinc/81/69/35/584816935.db2.gz HGMRWECDEKEZEB-OBJOEFQTSA-N 2 1 285.388 -0.722 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900622898 584816936 /nfs/dbraw/zinc/81/69/36/584816936.db2.gz HGMRWECDEKEZEB-OBJOEFQTSA-N 2 1 285.388 -0.722 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900622898 584816938 /nfs/dbraw/zinc/81/69/38/584816938.db2.gz HGMRWECDEKEZEB-OBJOEFQTSA-N 2 1 285.388 -0.722 20 0 CBADMP C[NH+](C)CCCCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900691479 584822178 /nfs/dbraw/zinc/82/21/78/584822178.db2.gz YPHLVBZPYXDFBJ-AAEUAGOBSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)N1CC[NH+](C)CC1 ZINC000900696254 584822989 /nfs/dbraw/zinc/82/29/89/584822989.db2.gz UHXGFWCANUCRQS-VNHYZAJKSA-N 2 1 298.431 -0.806 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CCOCC1 ZINC000900714495 584824143 /nfs/dbraw/zinc/82/41/43/584824143.db2.gz SPEXOMVXWPJIQL-JSGCOSHPSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[C@@H]1C[NH+](C)CCN1C ZINC000900807994 584827979 /nfs/dbraw/zinc/82/79/79/584827979.db2.gz XVOPBKVBJMQNPA-ABHRYQDASA-N 2 1 298.431 -0.808 20 0 CBADMP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[C@@H]1C[N@H+](C)CCN1C ZINC000900807994 584827980 /nfs/dbraw/zinc/82/79/80/584827980.db2.gz XVOPBKVBJMQNPA-ABHRYQDASA-N 2 1 298.431 -0.808 20 0 CBADMP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900807994 584827981 /nfs/dbraw/zinc/82/79/81/584827981.db2.gz XVOPBKVBJMQNPA-ABHRYQDASA-N 2 1 298.431 -0.808 20 0 CBADMP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1C[N@@H+](C)CCN1C ZINC000900812004 584828271 /nfs/dbraw/zinc/82/82/71/584828271.db2.gz QLMNFFWWMRCTNS-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[C@@H](CO)[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000901145843 584852036 /nfs/dbraw/zinc/85/20/36/584852036.db2.gz DVOXSTFVQKBUFP-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000901327003 584861025 /nfs/dbraw/zinc/86/10/25/584861025.db2.gz JWIRVCTXMUTWKW-AAEUAGOBSA-N 2 1 257.378 -0.148 20 0 CBADMP C[NH+](C)CCOCCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000901341431 584862029 /nfs/dbraw/zinc/86/20/29/584862029.db2.gz OCDUVNHCLJGJAS-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP CN1CCOC[C@@]1(CO)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000903276567 584889692 /nfs/dbraw/zinc/88/96/92/584889692.db2.gz AFXGTQMYOBWAGM-HNNXBMFYSA-N 2 1 283.416 -0.104 20 0 CBADMP O=C([C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1)N1CCNCC1 ZINC000903420915 584890102 /nfs/dbraw/zinc/89/01/02/584890102.db2.gz GEBQKYXDCJSUEC-ZIAGYGMSSA-N 3 1 280.416 -0.118 20 0 CBADMP CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903438674 584890286 /nfs/dbraw/zinc/89/02/86/584890286.db2.gz YQAJAIBYXFEWBC-FRRDWIJNSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000903453817 584890703 /nfs/dbraw/zinc/89/07/03/584890703.db2.gz MSZLUEVWXZJJNF-RDBSUJKOSA-N 3 1 252.406 -0.179 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000903453817 584890704 /nfs/dbraw/zinc/89/07/04/584890704.db2.gz MSZLUEVWXZJJNF-RDBSUJKOSA-N 2 1 252.406 -0.179 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)NCC(C)C)C2 ZINC000903490679 584891638 /nfs/dbraw/zinc/89/16/38/584891638.db2.gz CXGSPESPPKDKRA-ZOWXZIJZSA-N 2 1 297.399 -0.029 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)NC(C)C)C2 ZINC000903490678 584891650 /nfs/dbraw/zinc/89/16/50/584891650.db2.gz CUGSYFLLFNWWFC-WDMOLILDSA-N 2 1 283.372 -0.277 20 0 CBADMP Cc1nc([C@H]2CC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)no1 ZINC000903490729 584891681 /nfs/dbraw/zinc/89/16/81/584891681.db2.gz FUWNJGSLDAFXPI-LBPRGKRZSA-N 2 1 293.371 -0.011 20 0 CBADMP CNS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903517628 584892245 /nfs/dbraw/zinc/89/22/45/584892245.db2.gz RFDPXYQQLQQKSN-TXEJJXNPSA-N 2 1 288.417 -0.649 20 0 CBADMP CNS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903517628 584892247 /nfs/dbraw/zinc/89/22/47/584892247.db2.gz RFDPXYQQLQQKSN-TXEJJXNPSA-N 2 1 288.417 -0.649 20 0 CBADMP CC[N@@H+](CCC(N)=O)CCC(=O)N1CC[NH2+]CC1 ZINC000903577434 584893920 /nfs/dbraw/zinc/89/39/20/584893920.db2.gz KRAPKIZBSIFHON-UHFFFAOYSA-N 2 1 256.350 -0.994 20 0 CBADMP C[C@](C[NH3+])([NH2+]CCN1CCCS1(=O)=O)C1CC1 ZINC000903718052 584895551 /nfs/dbraw/zinc/89/55/51/584895551.db2.gz YTSAPJQSKKKNMN-LLVKDONJSA-N 2 1 261.391 -0.261 20 0 CBADMP CN(C)C(=O)C[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718344 584895675 /nfs/dbraw/zinc/89/56/75/584895675.db2.gz KYRBWVUVKFEAAP-YPMHNXCESA-N 2 1 255.362 -0.225 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718344 584895676 /nfs/dbraw/zinc/89/56/76/584895676.db2.gz KYRBWVUVKFEAAP-YPMHNXCESA-N 2 1 255.362 -0.225 20 0 CBADMP CN(C)C(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903756448 584897716 /nfs/dbraw/zinc/89/77/16/584897716.db2.gz RUGYCPYMYBTXDG-KCQAQPDRSA-N 2 1 296.415 -0.883 20 0 CBADMP CN(C)C(=O)[C@@H]1CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC[NH2+]1 ZINC000903756448 584897718 /nfs/dbraw/zinc/89/77/18/584897718.db2.gz RUGYCPYMYBTXDG-KCQAQPDRSA-N 2 1 296.415 -0.883 20 0 CBADMP CC(=O)N[C@@H]1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903768650 584898017 /nfs/dbraw/zinc/89/80/17/584898017.db2.gz OHZDIXBXQWIGEC-MCIONIFRSA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903769921 584898363 /nfs/dbraw/zinc/89/83/63/584898363.db2.gz RLPIBRBRIZVEDV-QWHCGFSZSA-N 3 1 257.378 -0.338 20 0 CBADMP C[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000903770041 584898411 /nfs/dbraw/zinc/89/84/11/584898411.db2.gz BNEGRQIUZZEHMC-GFQSEFKGSA-N 2 1 267.373 -0.049 20 0 CBADMP C[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000903770039 584898448 /nfs/dbraw/zinc/89/84/48/584898448.db2.gz BNEGRQIUZZEHMC-CZXHOFHRSA-N 2 1 267.373 -0.049 20 0 CBADMP NC(=O)C[C@@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903775177 584899021 /nfs/dbraw/zinc/89/90/21/584899021.db2.gz ILVLSEAPMXBREU-OLZOCXBDSA-N 2 1 297.399 -0.279 20 0 CBADMP NC(=O)C[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903775177 584899023 /nfs/dbraw/zinc/89/90/23/584899023.db2.gz ILVLSEAPMXBREU-OLZOCXBDSA-N 2 1 297.399 -0.279 20 0 CBADMP O=C1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCCN1 ZINC000903783367 584899413 /nfs/dbraw/zinc/89/94/13/584899413.db2.gz XGSSWLZAXDHUKX-YPMHNXCESA-N 2 1 253.346 -0.423 20 0 CBADMP O=C1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCCN1 ZINC000903783367 584899415 /nfs/dbraw/zinc/89/94/15/584899415.db2.gz XGSSWLZAXDHUKX-YPMHNXCESA-N 2 1 253.346 -0.423 20 0 CBADMP COC[C@@H](C(N)=O)[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903782569 584899551 /nfs/dbraw/zinc/89/95/51/584899551.db2.gz POEQLMNNMLPUDL-NEPJUHHUSA-N 2 1 285.388 -0.423 20 0 CBADMP COC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903782569 584899552 /nfs/dbraw/zinc/89/95/52/584899552.db2.gz POEQLMNNMLPUDL-NEPJUHHUSA-N 2 1 285.388 -0.423 20 0 CBADMP CC[N@@H+](CCC(N)=O)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903786209 584899741 /nfs/dbraw/zinc/89/97/41/584899741.db2.gz GGPIFJJDGMOGSB-WCQYABFASA-N 2 1 255.362 -0.048 20 0 CBADMP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1(C[NH3+])CCOCC1 ZINC000903809766 584900528 /nfs/dbraw/zinc/90/05/28/584900528.db2.gz KXTNJYADVRRNDT-LBPRGKRZSA-N 3 1 269.389 -0.195 20 0 CBADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1(C[NH3+])CCOCC1 ZINC000903809766 584900529 /nfs/dbraw/zinc/90/05/29/584900529.db2.gz KXTNJYADVRRNDT-LBPRGKRZSA-N 3 1 269.389 -0.195 20 0 CBADMP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1(CN)CCOCC1 ZINC000903809766 584900530 /nfs/dbraw/zinc/90/05/30/584900530.db2.gz KXTNJYADVRRNDT-LBPRGKRZSA-N 2 1 269.389 -0.195 20 0 CBADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1(CN)CCOCC1 ZINC000903809766 584900531 /nfs/dbraw/zinc/90/05/31/584900531.db2.gz KXTNJYADVRRNDT-LBPRGKRZSA-N 2 1 269.389 -0.195 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC000903829551 584901198 /nfs/dbraw/zinc/90/11/98/584901198.db2.gz HCIIIFCNUVCVQW-NTZNESFSSA-N 2 1 265.361 -0.428 20 0 CBADMP OCC[C@@H]1COCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903829939 584901231 /nfs/dbraw/zinc/90/12/31/584901231.db2.gz OMSSVZRJALDIJM-RDBSUJKOSA-N 2 1 270.373 -0.162 20 0 CBADMP OCC[C@@H]1COCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903829939 584901232 /nfs/dbraw/zinc/90/12/32/584901232.db2.gz OMSSVZRJALDIJM-RDBSUJKOSA-N 2 1 270.373 -0.162 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCCCCNC(=O)CC2)C1 ZINC000903830057 584901241 /nfs/dbraw/zinc/90/12/41/584901241.db2.gz RQKLWTVAZMTJJC-SRVKXCTJSA-N 2 1 255.362 -0.171 20 0 CBADMP OCC[C@@H]1COCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903829169 584901277 /nfs/dbraw/zinc/90/12/77/584901277.db2.gz AZZMZSVLSHPZCA-VXGBXAGGSA-N 2 1 256.346 -0.409 20 0 CBADMP OCC[C@@H]1COCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903829169 584901278 /nfs/dbraw/zinc/90/12/78/584901278.db2.gz AZZMZSVLSHPZCA-VXGBXAGGSA-N 2 1 256.346 -0.409 20 0 CBADMP OCC[C@@H]1COCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903829938 584901293 /nfs/dbraw/zinc/90/12/93/584901293.db2.gz OMSSVZRJALDIJM-MGPQQGTHSA-N 2 1 270.373 -0.162 20 0 CBADMP OCC[C@@H]1COCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903829938 584901294 /nfs/dbraw/zinc/90/12/94/584901294.db2.gz OMSSVZRJALDIJM-MGPQQGTHSA-N 2 1 270.373 -0.162 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903860889 584902233 /nfs/dbraw/zinc/90/22/33/584902233.db2.gz UTVDCRQPSAAJHD-FZMZJTMJSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903860889 584902234 /nfs/dbraw/zinc/90/22/34/584902234.db2.gz UTVDCRQPSAAJHD-FZMZJTMJSA-N 2 1 283.372 -0.179 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903864475 584902504 /nfs/dbraw/zinc/90/25/04/584902504.db2.gz VKRJHPDTPSARGK-RDBSUJKOSA-N 2 1 271.405 -0.261 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CCC[C@]23CC[NH2+]C3)CC1 ZINC000903869618 584902754 /nfs/dbraw/zinc/90/27/54/584902754.db2.gz IXCUVOFSTABFSV-OAHLLOKOSA-N 2 1 280.416 -0.022 20 0 CBADMP C[C@H]1C(=O)NCCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903875665 584903243 /nfs/dbraw/zinc/90/32/43/584903243.db2.gz SQSVCLNPOOCPGL-OUCADQQQSA-N 2 1 267.373 -0.035 20 0 CBADMP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CC(C)(CO)CO)cnn1C ZINC000903895469 584904174 /nfs/dbraw/zinc/90/41/74/584904174.db2.gz OGXOZJNZQWMRJT-ZDUSSCGKSA-N 2 1 298.431 -0.231 20 0 CBADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)CC(C)(CO)CO)cnn1C ZINC000903895469 584904175 /nfs/dbraw/zinc/90/41/75/584904175.db2.gz OGXOZJNZQWMRJT-ZDUSSCGKSA-N 2 1 298.431 -0.231 20 0 CBADMP [NH3+][C@H](CC(F)F)CN1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000903905487 584904459 /nfs/dbraw/zinc/90/44/59/584904459.db2.gz HIKMQHKDTZAEHQ-MNOVXSKESA-N 2 1 290.358 -0.135 20 0 CBADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)CCOCCO)cnn1C ZINC000903911174 584904552 /nfs/dbraw/zinc/90/45/52/584904552.db2.gz YCVRSLYXBJXYFT-CYBMUJFWSA-N 2 1 284.404 -0.213 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC000903953616 584905109 /nfs/dbraw/zinc/90/51/09/584905109.db2.gz HCUVWMLSUCSYMO-FQUUOJAGSA-N 2 1 281.400 -0.114 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(C)(C)[NH3+])C2 ZINC000903977257 584905531 /nfs/dbraw/zinc/90/55/31/584905531.db2.gz MVCCICVRCHDMDT-CWSCBRNRSA-N 3 1 255.362 -0.064 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(C)(C)[NH3+])C2 ZINC000903977257 584905533 /nfs/dbraw/zinc/90/55/33/584905533.db2.gz MVCCICVRCHDMDT-CWSCBRNRSA-N 2 1 255.362 -0.064 20 0 CBADMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000970747278 617185508 /nfs/dbraw/zinc/18/55/08/617185508.db2.gz UWQXIWHGQRUUIQ-GHMZBOCLSA-N 2 1 294.399 -0.608 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000959855754 614346638 /nfs/dbraw/zinc/34/66/38/614346638.db2.gz LBKCAHJGAKNSOO-RQJABVFESA-N 2 1 281.400 -0.102 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000959855754 614346640 /nfs/dbraw/zinc/34/66/40/614346640.db2.gz LBKCAHJGAKNSOO-RQJABVFESA-N 2 1 281.400 -0.102 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000959855754 614346642 /nfs/dbraw/zinc/34/66/42/614346642.db2.gz LBKCAHJGAKNSOO-RQJABVFESA-N 2 1 281.400 -0.102 20 0 CBADMP CC(C)N1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)C1 ZINC000972170088 614363789 /nfs/dbraw/zinc/36/37/89/614363789.db2.gz YCZLTKAHRSGNOK-ZIAGYGMSSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCO)C2)C1 ZINC000972170088 614363790 /nfs/dbraw/zinc/36/37/90/614363790.db2.gz YCZLTKAHRSGNOK-ZIAGYGMSSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCO)C2)C1 ZINC000972170088 614363791 /nfs/dbraw/zinc/36/37/91/614363791.db2.gz YCZLTKAHRSGNOK-ZIAGYGMSSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCO)C2)C1 ZINC000972170088 614363792 /nfs/dbraw/zinc/36/37/92/614363792.db2.gz YCZLTKAHRSGNOK-ZIAGYGMSSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)C1 ZINC000972170088 614363793 /nfs/dbraw/zinc/36/37/93/614363793.db2.gz YCZLTKAHRSGNOK-ZIAGYGMSSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000960175623 614680569 /nfs/dbraw/zinc/68/05/69/614680569.db2.gz PMDDIFCHLMXHPE-KZVDOYCCSA-N 2 1 294.399 -0.608 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000960175623 614680573 /nfs/dbraw/zinc/68/05/73/614680573.db2.gz PMDDIFCHLMXHPE-KZVDOYCCSA-N 2 1 294.399 -0.608 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000960175623 614680577 /nfs/dbraw/zinc/68/05/77/614680577.db2.gz PMDDIFCHLMXHPE-KZVDOYCCSA-N 2 1 294.399 -0.608 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000960175623 614680580 /nfs/dbraw/zinc/68/05/80/614680580.db2.gz PMDDIFCHLMXHPE-KZVDOYCCSA-N 2 1 294.399 -0.608 20 0 CBADMP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971266898 614895471 /nfs/dbraw/zinc/89/54/71/614895471.db2.gz KJMJUXZMNJFUQU-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971266898 614895472 /nfs/dbraw/zinc/89/54/72/614895472.db2.gz KJMJUXZMNJFUQU-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971266898 614895474 /nfs/dbraw/zinc/89/54/74/614895474.db2.gz KJMJUXZMNJFUQU-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971266898 614895475 /nfs/dbraw/zinc/89/54/75/614895475.db2.gz KJMJUXZMNJFUQU-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000969441294 615089954 /nfs/dbraw/zinc/08/99/54/615089954.db2.gz JMWLKEPTHGDIJI-ZYHUDNBSSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969441294 615089955 /nfs/dbraw/zinc/08/99/55/615089955.db2.gz JMWLKEPTHGDIJI-ZYHUDNBSSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000969441289 615094894 /nfs/dbraw/zinc/09/48/94/615094894.db2.gz JMWLKEPTHGDIJI-CMPLNLGQSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969441289 615094896 /nfs/dbraw/zinc/09/48/96/615094896.db2.gz JMWLKEPTHGDIJI-CMPLNLGQSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000962759226 615115703 /nfs/dbraw/zinc/11/57/03/615115703.db2.gz ZLHNTZDFLMTGFR-RFQIPJPRSA-N 2 1 281.400 -0.101 20 0 CBADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000962759226 615115704 /nfs/dbraw/zinc/11/57/04/615115704.db2.gz ZLHNTZDFLMTGFR-RFQIPJPRSA-N 2 1 281.400 -0.101 20 0 CBADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000962759226 615115706 /nfs/dbraw/zinc/11/57/06/615115706.db2.gz ZLHNTZDFLMTGFR-RFQIPJPRSA-N 2 1 281.400 -0.101 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000979069101 615171163 /nfs/dbraw/zinc/17/11/63/615171163.db2.gz CEDBKPOJTCAVCY-YIYPIFLZSA-N 2 1 299.390 -0.029 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000979069101 615171164 /nfs/dbraw/zinc/17/11/64/615171164.db2.gz CEDBKPOJTCAVCY-YIYPIFLZSA-N 2 1 299.390 -0.029 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)C1 ZINC000979069101 615171165 /nfs/dbraw/zinc/17/11/65/615171165.db2.gz CEDBKPOJTCAVCY-YIYPIFLZSA-N 2 1 299.390 -0.029 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)C1 ZINC000979069101 615171166 /nfs/dbraw/zinc/17/11/66/615171166.db2.gz CEDBKPOJTCAVCY-YIYPIFLZSA-N 2 1 299.390 -0.029 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958593916 615421974 /nfs/dbraw/zinc/42/19/74/615421974.db2.gz CZLWPCQSINYIOL-NEPJUHHUSA-N 2 1 267.373 -0.489 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CC(N)=O)C2)CC[N@H+]1C ZINC000971566830 615584479 /nfs/dbraw/zinc/58/44/79/615584479.db2.gz KAEYTJNNMLSHQG-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(N)=O)C2)CC[N@@H+]1C ZINC000971566830 615584480 /nfs/dbraw/zinc/58/44/80/615584480.db2.gz KAEYTJNNMLSHQG-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(N)=O)C2)CC[N@H+]1C ZINC000971566830 615584481 /nfs/dbraw/zinc/58/44/81/615584481.db2.gz KAEYTJNNMLSHQG-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000971566830 615584482 /nfs/dbraw/zinc/58/44/82/615584482.db2.gz KAEYTJNNMLSHQG-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000971566830 615584483 /nfs/dbraw/zinc/58/44/83/615584483.db2.gz KAEYTJNNMLSHQG-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH+](C)C1(C(=O)N2CCC[N@H+](CCO)CC2)CCC1 ZINC000981323922 615840258 /nfs/dbraw/zinc/84/02/58/615840258.db2.gz AIZIEHACRKDVDV-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+](C)C1(C(=O)N2CCC[N@@H+](CCO)CC2)CCC1 ZINC000981323922 615840259 /nfs/dbraw/zinc/84/02/59/615840259.db2.gz AIZIEHACRKDVDV-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCC([NH2+]CC(N)=O)CC1 ZINC000963157611 615855431 /nfs/dbraw/zinc/85/54/31/615855431.db2.gz PEGJBBXUYXFOGV-BPCQOVAHSA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)N2CC[C@@H]([NH2+]CCO)C2)no1 ZINC000969156852 615953351 /nfs/dbraw/zinc/95/33/51/615953351.db2.gz IODKTPBULPMKSG-SNVBAGLBSA-N 2 1 282.344 -0.467 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972734838 616054762 /nfs/dbraw/zinc/05/47/62/616054762.db2.gz GGJIQWNUJMKPQH-NSHDSACASA-N 2 1 280.372 -0.900 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972734838 616054763 /nfs/dbraw/zinc/05/47/63/616054763.db2.gz GGJIQWNUJMKPQH-NSHDSACASA-N 2 1 280.372 -0.900 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980477896 616055214 /nfs/dbraw/zinc/05/52/14/616055214.db2.gz KOGXJXBCXOAOKZ-ZDUSSCGKSA-N 2 1 296.415 -0.120 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980477896 616055215 /nfs/dbraw/zinc/05/52/15/616055215.db2.gz KOGXJXBCXOAOKZ-ZDUSSCGKSA-N 2 1 296.415 -0.120 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971201083 616113074 /nfs/dbraw/zinc/11/30/74/616113074.db2.gz LJKQIVIVBBBZCX-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP C[NH+](CCO)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000971201083 616113075 /nfs/dbraw/zinc/11/30/75/616113075.db2.gz LJKQIVIVBBBZCX-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP C[NH+](CCO)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000971201083 616113076 /nfs/dbraw/zinc/11/30/76/616113076.db2.gz LJKQIVIVBBBZCX-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP C[NH+]1CCC(OCC(=O)N2CC[NH+](CCCO)CC2)CC1 ZINC000952447265 616175072 /nfs/dbraw/zinc/17/50/72/616175072.db2.gz UTVBITXCMUMHTA-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)C[NH+](CCO)CCO2 ZINC000972295180 616192536 /nfs/dbraw/zinc/19/25/36/616192536.db2.gz RHUWMIKAUYJIPW-UKRRQHHQSA-N 2 1 297.399 -0.624 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)C[NH+](CCO)CCO2 ZINC000972295180 616192537 /nfs/dbraw/zinc/19/25/37/616192537.db2.gz RHUWMIKAUYJIPW-UKRRQHHQSA-N 2 1 297.399 -0.624 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972295180 616192538 /nfs/dbraw/zinc/19/25/38/616192538.db2.gz RHUWMIKAUYJIPW-UKRRQHHQSA-N 2 1 297.399 -0.624 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972295180 616192539 /nfs/dbraw/zinc/19/25/39/616192539.db2.gz RHUWMIKAUYJIPW-UKRRQHHQSA-N 2 1 297.399 -0.624 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCO)C2 ZINC000981665675 616208748 /nfs/dbraw/zinc/20/87/48/616208748.db2.gz DQMUBSRGBVKYPV-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC000977958363 616252577 /nfs/dbraw/zinc/25/25/77/616252577.db2.gz SZRTUTRNZURRHS-YIYPIFLZSA-N 2 1 299.390 -0.029 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC000977958363 616252578 /nfs/dbraw/zinc/25/25/78/616252578.db2.gz SZRTUTRNZURRHS-YIYPIFLZSA-N 2 1 299.390 -0.029 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC000977958363 616252579 /nfs/dbraw/zinc/25/25/79/616252579.db2.gz SZRTUTRNZURRHS-YIYPIFLZSA-N 2 1 299.390 -0.029 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC000977958363 616252580 /nfs/dbraw/zinc/25/25/80/616252580.db2.gz SZRTUTRNZURRHS-YIYPIFLZSA-N 2 1 299.390 -0.029 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC000970715304 616265275 /nfs/dbraw/zinc/26/52/75/616265275.db2.gz SJZHXXBQODSPJD-CHWSQXEVSA-N 2 1 292.387 -0.580 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(N)=O)C1 ZINC000969144477 616369947 /nfs/dbraw/zinc/36/99/47/616369947.db2.gz MIHBXSSGVOQPPY-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(N)=O)C1 ZINC000969144477 616369952 /nfs/dbraw/zinc/36/99/52/616369952.db2.gz MIHBXSSGVOQPPY-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(N)=O)C1 ZINC000969144477 616369955 /nfs/dbraw/zinc/36/99/55/616369955.db2.gz MIHBXSSGVOQPPY-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC(N)=O)C1 ZINC000969144477 616369958 /nfs/dbraw/zinc/36/99/58/616369958.db2.gz MIHBXSSGVOQPPY-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000962308198 616393897 /nfs/dbraw/zinc/39/38/97/616393897.db2.gz OIEPYUSAFOSQLU-NMKXLXIOSA-N 2 1 267.373 -0.633 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000962308198 616393899 /nfs/dbraw/zinc/39/38/99/616393899.db2.gz OIEPYUSAFOSQLU-NMKXLXIOSA-N 2 1 267.373 -0.633 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962555544 616469075 /nfs/dbraw/zinc/46/90/75/616469075.db2.gz QDLCOFWVMZTYCY-WUHRBBMRSA-N 2 1 267.373 -0.369 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000962555544 616469079 /nfs/dbraw/zinc/46/90/79/616469079.db2.gz QDLCOFWVMZTYCY-WUHRBBMRSA-N 2 1 267.373 -0.369 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000962555544 616469081 /nfs/dbraw/zinc/46/90/81/616469081.db2.gz QDLCOFWVMZTYCY-WUHRBBMRSA-N 2 1 267.373 -0.369 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977589277 616629644 /nfs/dbraw/zinc/62/96/44/616629644.db2.gz QAYIZTSLTKGBKM-NWDGAFQWSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977589277 616629648 /nfs/dbraw/zinc/62/96/48/616629648.db2.gz QAYIZTSLTKGBKM-NWDGAFQWSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977589277 616629649 /nfs/dbraw/zinc/62/96/49/616629649.db2.gz QAYIZTSLTKGBKM-NWDGAFQWSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977589277 616629652 /nfs/dbraw/zinc/62/96/52/616629652.db2.gz QAYIZTSLTKGBKM-NWDGAFQWSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977589276 616635831 /nfs/dbraw/zinc/63/58/31/616635831.db2.gz QAYIZTSLTKGBKM-NEPJUHHUSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977589276 616635833 /nfs/dbraw/zinc/63/58/33/616635833.db2.gz QAYIZTSLTKGBKM-NEPJUHHUSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977589276 616635837 /nfs/dbraw/zinc/63/58/37/616635837.db2.gz QAYIZTSLTKGBKM-NEPJUHHUSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977589276 616635839 /nfs/dbraw/zinc/63/58/39/616635839.db2.gz QAYIZTSLTKGBKM-NEPJUHHUSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000959976622 616642917 /nfs/dbraw/zinc/64/29/17/616642917.db2.gz VQCFLNGCYPFLCE-SSKLVLDBSA-N 2 1 294.399 -0.881 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000959976622 616642920 /nfs/dbraw/zinc/64/29/20/616642920.db2.gz VQCFLNGCYPFLCE-SSKLVLDBSA-N 2 1 294.399 -0.881 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000959976622 616642922 /nfs/dbraw/zinc/64/29/22/616642922.db2.gz VQCFLNGCYPFLCE-SSKLVLDBSA-N 2 1 294.399 -0.881 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000959976622 616642923 /nfs/dbraw/zinc/64/29/23/616642923.db2.gz VQCFLNGCYPFLCE-SSKLVLDBSA-N 2 1 294.399 -0.881 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715157244 656219062 /nfs/dbraw/zinc/21/90/62/656219062.db2.gz WWERKXFKBMOPTR-IUCAKERBSA-N 2 1 265.304 -0.479 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)CCOCCO ZINC000922110202 657995794 /nfs/dbraw/zinc/99/57/94/657995794.db2.gz YAOZHVHHCAQTDE-UHFFFAOYSA-N 2 1 284.360 -0.752 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)CCOCCO ZINC000922110202 657995799 /nfs/dbraw/zinc/99/57/99/657995799.db2.gz YAOZHVHHCAQTDE-UHFFFAOYSA-N 2 1 284.360 -0.752 20 0 CBADMP C[C@@H]1CC[N@@H+](CCN2C(=O)CN(C)C2=O)C[C@H]1C[NH3+] ZINC000923375654 658246852 /nfs/dbraw/zinc/24/68/52/658246852.db2.gz OMBWGDYPMSNMBL-GHMZBOCLSA-N 2 1 268.361 -0.203 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923485222 658305222 /nfs/dbraw/zinc/30/52/22/658305222.db2.gz QWSIWFBLTXSJJY-LLVKDONJSA-N 2 1 271.361 -0.321 20 0 CBADMP NS(=O)(=O)C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000923531088 658314139 /nfs/dbraw/zinc/31/41/39/658314139.db2.gz NTHFJFJRWKSOKQ-NWDGAFQWSA-N 2 1 275.418 -0.014 20 0 CBADMP NC(=O)C12CCC(CC1)[N@H+]2CCN1CC[NH2+]CC1 ZINC000923530557 658315366 /nfs/dbraw/zinc/31/53/66/658315366.db2.gz GORNAXUJPHQKKB-UHFFFAOYSA-N 2 1 252.362 -0.626 20 0 CBADMP O=S(=O)(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000923644481 658370283 /nfs/dbraw/zinc/37/02/83/658370283.db2.gz HTRANAPUHVYXSO-BDAKNGLRSA-N 2 1 283.344 -0.345 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C[NH+]1CCCC1 ZINC000929565170 659141538 /nfs/dbraw/zinc/14/15/38/659141538.db2.gz QCGSURJYUVFZED-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)C[NH+]1CCCC1 ZINC000929565170 659141539 /nfs/dbraw/zinc/14/15/39/659141539.db2.gz QCGSURJYUVFZED-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)CC[N@H+]1C ZINC000925326622 658826847 /nfs/dbraw/zinc/82/68/47/658826847.db2.gz YWXHLEUVENVWNV-NEPJUHHUSA-N 2 1 284.404 -0.165 20 0 CBADMP O=S1(=O)CCNC[C@@H]1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925790086 658872431 /nfs/dbraw/zinc/87/24/31/658872431.db2.gz FYRZFSVSHYTRKM-SNIKSBKOSA-N 2 1 299.440 -0.651 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000928453590 659026685 /nfs/dbraw/zinc/02/66/85/659026685.db2.gz YBXNGTURJUOPJR-NEPJUHHUSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000928453590 659026688 /nfs/dbraw/zinc/02/66/88/659026688.db2.gz YBXNGTURJUOPJR-NEPJUHHUSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1C ZINC000928449325 659027049 /nfs/dbraw/zinc/02/70/49/659027049.db2.gz QCDDMKNDAWHFOK-AGIUHOORSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C1=CC[NH+](C)CC1 ZINC000930651949 659316640 /nfs/dbraw/zinc/31/66/40/659316640.db2.gz CVTVDRIXIWRDOE-DGCLKSJQSA-N 2 1 294.399 -0.427 20 0 CBADMP C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C)C1=CC[NH+](C)CC1 ZINC000930651949 659316645 /nfs/dbraw/zinc/31/66/45/659316645.db2.gz CVTVDRIXIWRDOE-DGCLKSJQSA-N 2 1 294.399 -0.427 20 0 CBADMP C[C@@H](NC(=O)C(=O)NC[C@H]1CC[NH+]1C)C1=CC[N@H+](C)CC1 ZINC000930651949 659316650 /nfs/dbraw/zinc/31/66/50/659316650.db2.gz CVTVDRIXIWRDOE-DGCLKSJQSA-N 2 1 294.399 -0.427 20 0 CBADMP C[C@@H](NC(=O)C(=O)NC[C@H]1CC[NH+]1C)C1=CC[N@@H+](C)CC1 ZINC000930651949 659316656 /nfs/dbraw/zinc/31/66/56/659316656.db2.gz CVTVDRIXIWRDOE-DGCLKSJQSA-N 2 1 294.399 -0.427 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931429921 659460700 /nfs/dbraw/zinc/46/07/00/659460700.db2.gz JYAJNGOCGXKEPT-GARJFASQSA-N 2 1 268.361 -0.286 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931429921 659460710 /nfs/dbraw/zinc/46/07/10/659460710.db2.gz JYAJNGOCGXKEPT-GARJFASQSA-N 2 1 268.361 -0.286 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931429921 659460721 /nfs/dbraw/zinc/46/07/21/659460721.db2.gz JYAJNGOCGXKEPT-GARJFASQSA-N 2 1 268.361 -0.286 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931429921 659460734 /nfs/dbraw/zinc/46/07/34/659460734.db2.gz JYAJNGOCGXKEPT-GARJFASQSA-N 2 1 268.361 -0.286 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CCCS(N)(=O)=O)C[C@@H]2C1 ZINC000931436580 659463741 /nfs/dbraw/zinc/46/37/41/659463741.db2.gz TZABIEBMFUAQER-MNOVXSKESA-N 2 1 261.391 -0.452 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CCCS(N)(=O)=O)C[C@@H]2C1 ZINC000931436580 659463760 /nfs/dbraw/zinc/46/37/60/659463760.db2.gz TZABIEBMFUAQER-MNOVXSKESA-N 2 1 261.391 -0.452 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCS(N)(=O)=O)C[C@@H]2C1 ZINC000931436580 659463769 /nfs/dbraw/zinc/46/37/69/659463769.db2.gz TZABIEBMFUAQER-MNOVXSKESA-N 2 1 261.391 -0.452 20 0 CBADMP Cc1cc(N2CCC[N@@H+](CCO)CC2)nc(N)[nH+]1 ZINC000034218906 656000138 /nfs/dbraw/zinc/00/01/38/656000138.db2.gz KOALMJBXKFHGCK-UHFFFAOYSA-N 2 1 251.334 -0.128 20 0 CBADMP C[N@@H+](CCNS(=O)(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000062010817 656032799 /nfs/dbraw/zinc/03/27/99/656032799.db2.gz NESALIJVHOVBAL-NSHDSACASA-N 2 1 261.391 -0.248 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC[NH2+]CC1 ZINC000091668583 656058747 /nfs/dbraw/zinc/05/87/47/656058747.db2.gz OCCUYDGQRPMBBO-CHWSQXEVSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(C[NH2+]C1CC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668833 656058857 /nfs/dbraw/zinc/05/88/57/656058857.db2.gz YNUIWWWBAQKRCL-VXGBXAGGSA-N 2 1 253.346 -0.282 20 0 CBADMP CC(C)[NH2+]CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668304 656059189 /nfs/dbraw/zinc/05/91/89/656059189.db2.gz ROVZDHFQGUTCGL-NEPJUHHUSA-N 2 1 255.362 -0.036 20 0 CBADMP O=C(C[NH2+]C1CC1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000091668835 656059240 /nfs/dbraw/zinc/05/92/40/656059240.db2.gz YNUIWWWBAQKRCL-NWDGAFQWSA-N 2 1 253.346 -0.282 20 0 CBADMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000186844148 656095930 /nfs/dbraw/zinc/09/59/30/656095930.db2.gz UZQMVULEABIGDS-CQSZACIVSA-N 2 1 293.411 -0.143 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000190254733 656099130 /nfs/dbraw/zinc/09/91/30/656099130.db2.gz GQDFPXXKPYHHPK-SSDOTTSWSA-N 2 1 253.318 -0.208 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000190254714 656099377 /nfs/dbraw/zinc/09/93/77/656099377.db2.gz GQDFPXXKPYHHPK-ZETCQYMHSA-N 2 1 253.318 -0.208 20 0 CBADMP C[N@@H+](CCCCCCO)CC(=O)N1CC[NH2+]CC1 ZINC000226418854 656107437 /nfs/dbraw/zinc/10/74/37/656107437.db2.gz MYAIGXJSQVSINX-UHFFFAOYSA-N 2 1 257.378 -0.097 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000228533177 656109743 /nfs/dbraw/zinc/10/97/43/656109743.db2.gz JSLVLEFFWBPRQF-NWDGAFQWSA-N 2 1 254.378 -0.524 20 0 CBADMP COC(=O)N[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000228270516 656109842 /nfs/dbraw/zinc/10/98/42/656109842.db2.gz GZZJUZZUCBVOTB-NSHDSACASA-N 2 1 256.350 -0.678 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000232122309 656113610 /nfs/dbraw/zinc/11/36/10/656113610.db2.gz KSPAEKJXLRDOKD-WOPDTQHZSA-N 2 1 271.361 -0.670 20 0 CBADMP CNC(=O)[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000232289068 656113644 /nfs/dbraw/zinc/11/36/44/656113644.db2.gz MREPOWGNZQWMKU-LBPRGKRZSA-N 2 1 282.388 -0.734 20 0 CBADMP O=C(NC[C@@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000250990276 656122489 /nfs/dbraw/zinc/12/24/89/656122489.db2.gz CIPVYKKXZCJWFL-AVGNSLFASA-N 2 1 295.383 -0.118 20 0 CBADMP O=C(NC[C@@H]1CCC[N@H+]([C@H]2CCOC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000250990276 656122493 /nfs/dbraw/zinc/12/24/93/656122493.db2.gz CIPVYKKXZCJWFL-AVGNSLFASA-N 2 1 295.383 -0.118 20 0 CBADMP C[C@H]1C[N@@H+](CC(=O)N2CCOCC2)CC[C@H]1C[NH3+] ZINC000251768664 656122546 /nfs/dbraw/zinc/12/25/46/656122546.db2.gz MFZNCADMCQOQMV-RYUDHWBXSA-N 2 1 255.362 -0.238 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000251098426 656122638 /nfs/dbraw/zinc/12/26/38/656122638.db2.gz JNVVHOUCKWEMSS-ZJUUUORDSA-N 2 1 255.318 -0.911 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000251098426 656122639 /nfs/dbraw/zinc/12/26/39/656122639.db2.gz JNVVHOUCKWEMSS-ZJUUUORDSA-N 2 1 255.318 -0.911 20 0 CBADMP CC(C)(C[NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252545949 656123154 /nfs/dbraw/zinc/12/31/54/656123154.db2.gz JYSICTHSVXUPOG-WDEREUQCSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@@]1(C[N@H+](CCO)CCN2CCOCC2)CC[NH2+]C1 ZINC000261898332 656126924 /nfs/dbraw/zinc/12/69/24/656126924.db2.gz VMUQUSRQAOHRCV-CQSZACIVSA-N 2 1 271.405 -0.388 20 0 CBADMP C[C@@]1(C[N@@H+](CCO)CCN2CCOCC2)CC[NH2+]C1 ZINC000261898332 656126927 /nfs/dbraw/zinc/12/69/27/656126927.db2.gz VMUQUSRQAOHRCV-CQSZACIVSA-N 2 1 271.405 -0.388 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000306081370 656142232 /nfs/dbraw/zinc/14/22/32/656142232.db2.gz IIFONGNEVZBLHM-CHWSQXEVSA-N 2 1 258.362 -0.304 20 0 CBADMP O[C@@H](C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)C(F)(F)F ZINC000310750217 656144087 /nfs/dbraw/zinc/14/40/87/656144087.db2.gz KSLVKRJXAXNPIT-UWVGGRQHSA-N 2 1 267.295 -0.111 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000311025516 656144744 /nfs/dbraw/zinc/14/47/44/656144744.db2.gz MLGDABFEZULGIQ-AVGNSLFASA-N 2 1 259.394 -0.405 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000311025516 656144747 /nfs/dbraw/zinc/14/47/47/656144747.db2.gz MLGDABFEZULGIQ-AVGNSLFASA-N 3 1 259.394 -0.405 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000311025516 656144751 /nfs/dbraw/zinc/14/47/51/656144751.db2.gz MLGDABFEZULGIQ-AVGNSLFASA-N 3 1 259.394 -0.405 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000311025519 656145182 /nfs/dbraw/zinc/14/51/82/656145182.db2.gz MLGDABFEZULGIQ-UPJWGTAASA-N 2 1 259.394 -0.405 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000311025519 656145183 /nfs/dbraw/zinc/14/51/83/656145183.db2.gz MLGDABFEZULGIQ-UPJWGTAASA-N 3 1 259.394 -0.405 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000311025519 656145186 /nfs/dbraw/zinc/14/51/86/656145186.db2.gz MLGDABFEZULGIQ-UPJWGTAASA-N 3 1 259.394 -0.405 20 0 CBADMP COCC[N@H+](C)C[C@H](O)CN1CCOC[C@H](C)C1 ZINC000311120968 656145240 /nfs/dbraw/zinc/14/52/40/656145240.db2.gz OQIBBYBSFDFQJC-OLZOCXBDSA-N 2 1 260.378 -0.106 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCOC[C@H](C)C1 ZINC000311120968 656145242 /nfs/dbraw/zinc/14/52/42/656145242.db2.gz OQIBBYBSFDFQJC-OLZOCXBDSA-N 2 1 260.378 -0.106 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCCC[C@H]1C[NH3+] ZINC000311183501 656145659 /nfs/dbraw/zinc/14/56/59/656145659.db2.gz ZYXDVRMQXZWBAB-QWHCGFSZSA-N 2 1 259.394 -0.261 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000311752067 656146370 /nfs/dbraw/zinc/14/63/70/656146370.db2.gz VBYIZVACTFDCOD-IHRRRGAJSA-N 2 1 273.421 -0.015 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000311752067 656146371 /nfs/dbraw/zinc/14/63/71/656146371.db2.gz VBYIZVACTFDCOD-IHRRRGAJSA-N 2 1 273.421 -0.015 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000311752067 656146372 /nfs/dbraw/zinc/14/63/72/656146372.db2.gz VBYIZVACTFDCOD-IHRRRGAJSA-N 2 1 273.421 -0.015 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCCCN1CCOCC1 ZINC000328355980 656149113 /nfs/dbraw/zinc/14/91/13/656149113.db2.gz OEOGVKDZIAHHOG-RYUDHWBXSA-N 2 1 271.361 -0.798 20 0 CBADMP CN1CCOC[C@@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000700143020 656175782 /nfs/dbraw/zinc/17/57/82/656175782.db2.gz NQEUZGHAHFEMTO-XNBXPENISA-N 2 1 251.374 -0.097 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702056323 656179593 /nfs/dbraw/zinc/17/95/93/656179593.db2.gz ROLKDTDFUFXUPI-NWDGAFQWSA-N 2 1 275.418 -0.191 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702056323 656179595 /nfs/dbraw/zinc/17/95/95/656179595.db2.gz ROLKDTDFUFXUPI-NWDGAFQWSA-N 2 1 275.418 -0.191 20 0 CBADMP CCO[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000701713665 656179699 /nfs/dbraw/zinc/17/96/99/656179699.db2.gz DPDJAPIHKAQKSH-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000702421349 656180857 /nfs/dbraw/zinc/18/08/57/656180857.db2.gz OGMMMIGQRIWVDT-JQWIXIFHSA-N 2 1 254.378 -0.524 20 0 CBADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702598811 656182130 /nfs/dbraw/zinc/18/21/30/656182130.db2.gz HSFHKTZEZFAFNK-NQBHXWOUSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000702598811 656182133 /nfs/dbraw/zinc/18/21/33/656182133.db2.gz HSFHKTZEZFAFNK-NQBHXWOUSA-N 2 1 255.362 -0.300 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702588971 656182144 /nfs/dbraw/zinc/18/21/44/656182144.db2.gz BHAIQARUIHCZAJ-SOUVJXGZSA-N 2 1 285.432 -0.143 20 0 CBADMP CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000702951251 656182410 /nfs/dbraw/zinc/18/24/10/656182410.db2.gz BATYYCMSZAVHOJ-AXFHLTTASA-N 2 1 261.391 -0.263 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC(C)([NH3+])CC1 ZINC000704513838 656184416 /nfs/dbraw/zinc/18/44/16/656184416.db2.gz WIAIZQASOMQKPW-GFCCVEGCSA-N 2 1 259.394 -0.261 20 0 CBADMP CC[N@H+](CCC(=O)N1CC[NH2+]CC1)CCS(C)(=O)=O ZINC000708490580 656192582 /nfs/dbraw/zinc/19/25/82/656192582.db2.gz FFFOGZBSWMMWGK-UHFFFAOYSA-N 2 1 291.417 -0.825 20 0 CBADMP CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)CCS(C)(=O)=O ZINC000708490580 656192584 /nfs/dbraw/zinc/19/25/84/656192584.db2.gz FFFOGZBSWMMWGK-UHFFFAOYSA-N 2 1 291.417 -0.825 20 0 CBADMP O=C(CCC1C[NH2+]C1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000709443191 656195763 /nfs/dbraw/zinc/19/57/63/656195763.db2.gz CDWPVGJZHNEUMB-OLZOCXBDSA-N 2 1 267.373 -0.035 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](CO)[C@H]1CO ZINC000709832801 656196313 /nfs/dbraw/zinc/19/63/13/656196313.db2.gz QQYWQEBOHJFLSH-BFHYXJOUSA-N 2 1 274.405 -0.247 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1CO ZINC000709832801 656196314 /nfs/dbraw/zinc/19/63/14/656196314.db2.gz QQYWQEBOHJFLSH-BFHYXJOUSA-N 2 1 274.405 -0.247 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1CO ZINC000709832801 656196316 /nfs/dbraw/zinc/19/63/16/656196316.db2.gz QQYWQEBOHJFLSH-BFHYXJOUSA-N 2 1 274.405 -0.247 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709832801 656196318 /nfs/dbraw/zinc/19/63/18/656196318.db2.gz QQYWQEBOHJFLSH-BFHYXJOUSA-N 2 1 274.405 -0.247 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709832801 656196322 /nfs/dbraw/zinc/19/63/22/656196322.db2.gz QQYWQEBOHJFLSH-BFHYXJOUSA-N 2 1 274.405 -0.247 20 0 CBADMP COC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)C[NH2+]CCO1 ZINC000710784206 656201177 /nfs/dbraw/zinc/20/11/77/656201177.db2.gz PVFRQJWTUUJHME-JSGCOSHPSA-N 2 1 285.388 -0.551 20 0 CBADMP COC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](C)C2)C[NH2+]CCO1 ZINC000710784209 656201895 /nfs/dbraw/zinc/20/18/95/656201895.db2.gz PVFRQJWTUUJHME-TZMCWYRMSA-N 2 1 285.388 -0.551 20 0 CBADMP COC[C@]1(C(=O)N2CC[NH+](C(C)C)CC2)C[NH2+]CCO1 ZINC000710781449 656202082 /nfs/dbraw/zinc/20/20/82/656202082.db2.gz DKEVHEQTNYXPAL-AWEZNQCLSA-N 2 1 285.388 -0.456 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712627622 656211516 /nfs/dbraw/zinc/21/15/16/656211516.db2.gz VNVYSGRXHRTEEL-NSHDSACASA-N 2 1 256.394 -0.182 20 0 CBADMP [NH3+]C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCOCC2)C1(F)F ZINC000715177759 656219004 /nfs/dbraw/zinc/21/90/04/656219004.db2.gz FCMUQPXLUIKWHG-NXEZZACHSA-N 2 1 277.315 -0.335 20 0 CBADMP CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000718012989 656231627 /nfs/dbraw/zinc/23/16/27/656231627.db2.gz IBKDMFCPAJJKOP-VWYCJHECSA-N 2 1 261.391 -0.263 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)C1 ZINC000884787517 656254870 /nfs/dbraw/zinc/25/48/70/656254870.db2.gz UWNSOVKUIHZVLR-TUAOUCFPSA-N 2 1 282.388 -0.465 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC000884787537 656255244 /nfs/dbraw/zinc/25/52/44/656255244.db2.gz VFDJIHIZIQUOFG-NSHDSACASA-N 2 1 284.404 -0.170 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884787562 656255379 /nfs/dbraw/zinc/25/53/79/656255379.db2.gz VOFXGBJJECVHFP-WOPDTQHZSA-N 2 1 280.372 -0.840 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000890066187 656270046 /nfs/dbraw/zinc/27/00/46/656270046.db2.gz QFZXSDFJIOATAI-AAEUAGOBSA-N 2 1 272.393 -0.308 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000897561194 656293659 /nfs/dbraw/zinc/29/36/59/656293659.db2.gz ZDTHNVVFJSPFAG-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000897561194 656293663 /nfs/dbraw/zinc/29/36/63/656293663.db2.gz ZDTHNVVFJSPFAG-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC([NH+]3CCCC3)C2)CC1 ZINC000898609644 656300729 /nfs/dbraw/zinc/30/07/29/656300729.db2.gz CLLRKVAIQHHHGU-UHFFFAOYSA-N 2 1 266.389 -0.460 20 0 CBADMP CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507220 656321811 /nfs/dbraw/zinc/32/18/11/656321811.db2.gz RTKJDUOTQHDPQT-OKILXGFUSA-N 2 1 280.416 -0.025 20 0 CBADMP NC(=O)NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506587 656321928 /nfs/dbraw/zinc/32/19/28/656321928.db2.gz BQPICLUCXJPQNL-TXEJJXNPSA-N 2 1 295.387 -0.918 20 0 CBADMP NS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903753242 656322117 /nfs/dbraw/zinc/32/21/17/656322117.db2.gz SIVNZVPGOHCARE-GHMZBOCLSA-N 2 1 261.391 -0.261 20 0 CBADMP NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903753242 656322122 /nfs/dbraw/zinc/32/21/22/656322122.db2.gz SIVNZVPGOHCARE-GHMZBOCLSA-N 2 1 261.391 -0.261 20 0 CBADMP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752418 656322131 /nfs/dbraw/zinc/32/21/31/656322131.db2.gz SHHDCZYUZBATCW-VXGBXAGGSA-N 3 1 257.378 -0.604 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752418 656322133 /nfs/dbraw/zinc/32/21/33/656322133.db2.gz SHHDCZYUZBATCW-VXGBXAGGSA-N 3 1 257.378 -0.604 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752415 656322140 /nfs/dbraw/zinc/32/21/40/656322140.db2.gz SHHDCZYUZBATCW-NWDGAFQWSA-N 3 1 257.378 -0.604 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752415 656322143 /nfs/dbraw/zinc/32/21/43/656322143.db2.gz SHHDCZYUZBATCW-NWDGAFQWSA-N 3 1 257.378 -0.604 20 0 CBADMP C[C@H](C(N)=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506612 656322298 /nfs/dbraw/zinc/32/22/98/656322298.db2.gz CBKVIUNJQCOAEM-RTXFEEFZSA-N 2 1 266.389 -0.239 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343239 656324838 /nfs/dbraw/zinc/32/48/38/656324838.db2.gz RAHPURVZDNSUBA-OUAUKWLOSA-N 2 1 261.391 -0.263 20 0 CBADMP CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904329719 656325528 /nfs/dbraw/zinc/32/55/28/656325528.db2.gz RTQKSAIDHXFACE-AXFHLTTASA-N 2 1 261.391 -0.263 20 0 CBADMP [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 656326273 /nfs/dbraw/zinc/32/62/73/656326273.db2.gz YFFBOEPETLNUQI-MLGHIDQZSA-N 3 1 280.372 -0.409 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000904420454 656326424 /nfs/dbraw/zinc/32/64/24/656326424.db2.gz OZARZRXPDXTKMA-MELADBBJSA-N 3 1 280.416 -0.275 20 0 CBADMP C[C@@H]1C[C@H](C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)CC[NH2+]1 ZINC000904433928 656327784 /nfs/dbraw/zinc/32/77/84/656327784.db2.gz QWNTYEZOHNTVMV-UTUOFQBUSA-N 2 1 288.417 -0.791 20 0 CBADMP 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 656331112 /nfs/dbraw/zinc/33/11/12/656331112.db2.gz KWUQLVOMMLPKQQ-NWJSVONSSA-N 2 1 294.399 -0.798 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC[NH2+]1 ZINC000904962427 656331183 /nfs/dbraw/zinc/33/11/83/656331183.db2.gz COBKLJWRQDHVCB-TYNCELHUSA-N 2 1 294.399 -0.783 20 0 CBADMP C[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000905329725 656349482 /nfs/dbraw/zinc/34/94/82/656349482.db2.gz MSMYGJMWTDBSEH-GHMZBOCLSA-N 2 1 275.418 -0.002 20 0 CBADMP C[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000905329726 656349576 /nfs/dbraw/zinc/34/95/76/656349576.db2.gz MSMYGJMWTDBSEH-PHIMTYICSA-N 2 1 275.418 -0.002 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000905345100 656351074 /nfs/dbraw/zinc/35/10/74/656351074.db2.gz LIAKGMSFVCPUJO-ZNMIVQPWSA-N 2 1 282.384 -0.017 20 0 CBADMP O[C@@H](C[NH2+]C[C@H](O)C1(O)CCCC1)C[NH+]1CCCC1 ZINC000905346415 656351222 /nfs/dbraw/zinc/35/12/22/656351222.db2.gz QEZMJVMQCLWXES-STQMWFEESA-N 2 1 272.389 -0.301 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NCC[NH+]2CCCC2)C1 ZINC000905380383 656355407 /nfs/dbraw/zinc/35/54/07/656355407.db2.gz KYCVMVVBZZROCL-UHFFFAOYSA-N 2 1 268.405 -0.308 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)C[C@H]1CCCO1)C1CC1 ZINC000905460524 656358195 /nfs/dbraw/zinc/35/81/95/656358195.db2.gz MCUWNQOYAULUHA-MRVWCRGKSA-N 2 1 272.389 -0.039 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)C[C@H]1CCCO1)C1CC1 ZINC000905460524 656358197 /nfs/dbraw/zinc/35/81/97/656358197.db2.gz MCUWNQOYAULUHA-MRVWCRGKSA-N 2 1 272.389 -0.039 20 0 CBADMP CCO[C@H](C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1)C[NH+](C)C ZINC000905581838 656362328 /nfs/dbraw/zinc/36/23/28/656362328.db2.gz XWICEJICVBZBKL-BFHYXJOUSA-N 2 1 290.404 -0.555 20 0 CBADMP CCO[C@H](C[NH2+]CCC(=O)NC(N)=O)C[NH+](C)C ZINC000905581040 656362642 /nfs/dbraw/zinc/36/26/42/656362642.db2.gz SCXDEJSPVAIXEP-SECBINFHSA-N 2 1 260.338 -0.872 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC000906358358 656385151 /nfs/dbraw/zinc/38/51/51/656385151.db2.gz HMKUYPSDZCOZHN-LBPRGKRZSA-N 2 1 268.405 -0.452 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000906358358 656385157 /nfs/dbraw/zinc/38/51/57/656385157.db2.gz HMKUYPSDZCOZHN-LBPRGKRZSA-N 2 1 268.405 -0.452 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000906358358 656385160 /nfs/dbraw/zinc/38/51/60/656385160.db2.gz HMKUYPSDZCOZHN-LBPRGKRZSA-N 2 1 268.405 -0.452 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@@H](C2CC2)[NH+](C)C)C1 ZINC000906339445 656385564 /nfs/dbraw/zinc/38/55/64/656385564.db2.gz UFSDDYWKQFMPHE-AWEZNQCLSA-N 2 1 282.432 -0.064 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NCC[NH+](C)C2CC2)C1 ZINC000906403375 656385974 /nfs/dbraw/zinc/38/59/74/656385974.db2.gz AJFLTXBSNYGMSC-UHFFFAOYSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000906403375 656385977 /nfs/dbraw/zinc/38/59/77/656385977.db2.gz AJFLTXBSNYGMSC-UHFFFAOYSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000906403375 656385980 /nfs/dbraw/zinc/38/59/80/656385980.db2.gz AJFLTXBSNYGMSC-UHFFFAOYSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000906583106 656392961 /nfs/dbraw/zinc/39/29/61/656392961.db2.gz BSZXYNOHAKUTNA-ZDUSSCGKSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000906583106 656392963 /nfs/dbraw/zinc/39/29/63/656392963.db2.gz BSZXYNOHAKUTNA-ZDUSSCGKSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000906583106 656392968 /nfs/dbraw/zinc/39/29/68/656392968.db2.gz BSZXYNOHAKUTNA-ZDUSSCGKSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000906677143 656396552 /nfs/dbraw/zinc/39/65/52/656396552.db2.gz UZXIPQBKHDPABO-CYBMUJFWSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000906677144 656396489 /nfs/dbraw/zinc/39/64/89/656396489.db2.gz UZXIPQBKHDPABO-ZDUSSCGKSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000906677144 656396492 /nfs/dbraw/zinc/39/64/92/656396492.db2.gz UZXIPQBKHDPABO-ZDUSSCGKSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000906677144 656396493 /nfs/dbraw/zinc/39/64/93/656396493.db2.gz UZXIPQBKHDPABO-ZDUSSCGKSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@H]2CCC[NH+]2C)C1 ZINC000906677143 656396543 /nfs/dbraw/zinc/39/65/43/656396543.db2.gz UZXIPQBKHDPABO-CYBMUJFWSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000906677143 656396547 /nfs/dbraw/zinc/39/65/47/656396547.db2.gz UZXIPQBKHDPABO-CYBMUJFWSA-N 2 1 268.405 -0.310 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996464589 656414350 /nfs/dbraw/zinc/41/43/50/656414350.db2.gz NYHHAHRKKJGQEN-CYBMUJFWSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@@H]1CN(C)CCO1 ZINC000907071393 656420630 /nfs/dbraw/zinc/42/06/30/656420630.db2.gz QMTZPAFJERGRAT-JSGCOSHPSA-N 2 1 298.431 -0.685 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)CC[N@H+]1C ZINC000996605069 656447557 /nfs/dbraw/zinc/44/75/57/656447557.db2.gz AFIHVBIAJWDPQZ-ZYHUDNBSSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H]([NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1)C(N)=O ZINC000996997070 656463879 /nfs/dbraw/zinc/46/38/79/656463879.db2.gz DZBGAFPVZDGQMJ-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](O)C[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000997094913 656466246 /nfs/dbraw/zinc/46/62/46/656466246.db2.gz WFDRUGRHSSKEPI-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997299515 656471666 /nfs/dbraw/zinc/47/16/66/656471666.db2.gz OTVWKGGLTYDZEQ-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@H]([NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC000997297378 656471884 /nfs/dbraw/zinc/47/18/84/656471884.db2.gz FRGDVZUDEUSHOZ-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC000997299607 656472096 /nfs/dbraw/zinc/47/20/96/656472096.db2.gz PYDUPEKIBMPOCR-MNOVXSKESA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000907516241 656518219 /nfs/dbraw/zinc/51/82/19/656518219.db2.gz UAUSFKKQTQTHBA-OLZOCXBDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000907516241 656518224 /nfs/dbraw/zinc/51/82/24/656518224.db2.gz UAUSFKKQTQTHBA-OLZOCXBDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)C[C@]3(O)CCC[NH+](C)C3)C[C@H]2C1 ZINC000907805200 656581923 /nfs/dbraw/zinc/58/19/23/656581923.db2.gz PGUGHDIXBCJDCY-VNHYZAJKSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)C[C@]3(O)CCC[N@H+](C)C3)C[C@H]2C1 ZINC000907805200 656581937 /nfs/dbraw/zinc/58/19/37/656581937.db2.gz PGUGHDIXBCJDCY-VNHYZAJKSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)C[C@]3(O)CCC[N@@H+](C)C3)C[C@H]2C1 ZINC000907805200 656581956 /nfs/dbraw/zinc/58/19/56/656581956.db2.gz PGUGHDIXBCJDCY-VNHYZAJKSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC000999189574 656615759 /nfs/dbraw/zinc/61/57/59/656615759.db2.gz LOLGKJNWQCBMFV-IJLUTSLNSA-N 2 1 282.388 -0.608 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999301882 656621153 /nfs/dbraw/zinc/62/11/53/656621153.db2.gz DMYZFHSLBGZDTH-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999301885 656621281 /nfs/dbraw/zinc/62/12/81/656621281.db2.gz DMYZFHSLBGZDTH-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)C12CC[NH+](CC1)C2 ZINC000908030544 656628047 /nfs/dbraw/zinc/62/80/47/656628047.db2.gz XVVFDLWFHMUAIR-ZDUSSCGKSA-N 2 1 278.400 -0.412 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999404122 656628299 /nfs/dbraw/zinc/62/82/99/656628299.db2.gz ZELNDKUAQNQACI-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]CC(N)=O)C2)C1 ZINC000999409822 656628538 /nfs/dbraw/zinc/62/85/38/656628538.db2.gz TUGXBGNAQWPNGI-UNXYVOJBSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999404120 656628645 /nfs/dbraw/zinc/62/86/45/656628645.db2.gz ZELNDKUAQNQACI-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]CCO)C1 ZINC000999687781 656645819 /nfs/dbraw/zinc/64/58/19/656645819.db2.gz JWGIBDNUBWQCMF-HIFPTAJRSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000908119162 656651545 /nfs/dbraw/zinc/65/15/45/656651545.db2.gz PRTLUCXWILNHJO-GUTXKFCHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000908119162 656651555 /nfs/dbraw/zinc/65/15/55/656651555.db2.gz PRTLUCXWILNHJO-GUTXKFCHSA-N 2 1 299.415 -0.596 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]CCO)C1 ZINC000999836135 656655218 /nfs/dbraw/zinc/65/52/18/656655218.db2.gz IRUBWPCRGYZRFF-UHFFFAOYSA-N 2 1 266.345 -0.237 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CCO)C2)C1 ZINC000999864350 656660503 /nfs/dbraw/zinc/66/05/03/656660503.db2.gz XHQPTVFUGGYWJU-BPCQOVAHSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CCO)C2)C1 ZINC000999864350 656660507 /nfs/dbraw/zinc/66/05/07/656660507.db2.gz XHQPTVFUGGYWJU-BPCQOVAHSA-N 2 1 285.388 -0.722 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000908204309 656670605 /nfs/dbraw/zinc/67/06/05/656670605.db2.gz GOMMFQDNAJLQKZ-CQSZACIVSA-N 2 1 298.431 -0.947 20 0 CBADMP O=C(N1CC(C[NH+]2CCOCC2)C1)C12CC[NH+](CC1)C2 ZINC000908335101 656708653 /nfs/dbraw/zinc/70/86/53/656708653.db2.gz GWAZQBPUICEFGH-UHFFFAOYSA-N 2 1 279.384 -0.127 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000908346880 656710848 /nfs/dbraw/zinc/71/08/48/656710848.db2.gz IMNSCJNVTKAEHI-GXTWGEPZSA-N 2 1 280.416 -0.358 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000908346880 656710859 /nfs/dbraw/zinc/71/08/59/656710859.db2.gz IMNSCJNVTKAEHI-GXTWGEPZSA-N 2 1 280.416 -0.358 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000908346880 656710867 /nfs/dbraw/zinc/71/08/67/656710867.db2.gz IMNSCJNVTKAEHI-GXTWGEPZSA-N 2 1 280.416 -0.358 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000917759 656774139 /nfs/dbraw/zinc/77/41/39/656774139.db2.gz MHPROOIBWHSXPB-GHMZBOCLSA-N 2 1 268.361 -0.996 20 0 CBADMP 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 656785467 /nfs/dbraw/zinc/78/54/67/656785467.db2.gz OOADWPXKVBDQAA-VXUPGSCNSA-N 2 1 267.373 -0.540 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000909273711 656804453 /nfs/dbraw/zinc/80/44/53/656804453.db2.gz WBIXGJCUMAOXJF-UHFFFAOYSA-N 2 1 298.431 -0.947 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001001278305 656806583 /nfs/dbraw/zinc/80/65/83/656806583.db2.gz JWHVVFSVUIKVJJ-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001001278305 656806584 /nfs/dbraw/zinc/80/65/84/656806584.db2.gz JWHVVFSVUIKVJJ-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001001446698 656811272 /nfs/dbraw/zinc/81/12/72/656811272.db2.gz RTVQEUJMQYMNTF-YPMHNXCESA-N 2 1 294.399 -0.440 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001001446698 656811275 /nfs/dbraw/zinc/81/12/75/656811275.db2.gz RTVQEUJMQYMNTF-YPMHNXCESA-N 2 1 294.399 -0.440 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001001446698 656811280 /nfs/dbraw/zinc/81/12/80/656811280.db2.gz RTVQEUJMQYMNTF-YPMHNXCESA-N 2 1 294.399 -0.440 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001001446698 656811282 /nfs/dbraw/zinc/81/12/82/656811282.db2.gz RTVQEUJMQYMNTF-YPMHNXCESA-N 2 1 294.399 -0.440 20 0 CBADMP CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001001448497 656811347 /nfs/dbraw/zinc/81/13/47/656811347.db2.gz HVXPMSOIGLWFOW-ZDUSSCGKSA-N 2 1 294.399 -0.568 20 0 CBADMP CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001001448497 656811351 /nfs/dbraw/zinc/81/13/51/656811351.db2.gz HVXPMSOIGLWFOW-ZDUSSCGKSA-N 2 1 294.399 -0.568 20 0 CBADMP CNC(=O)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001001448497 656811353 /nfs/dbraw/zinc/81/13/53/656811353.db2.gz HVXPMSOIGLWFOW-ZDUSSCGKSA-N 2 1 294.399 -0.568 20 0 CBADMP CNC(=O)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001001448497 656811355 /nfs/dbraw/zinc/81/13/55/656811355.db2.gz HVXPMSOIGLWFOW-ZDUSSCGKSA-N 2 1 294.399 -0.568 20 0 CBADMP CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001001448492 656811648 /nfs/dbraw/zinc/81/16/48/656811648.db2.gz HVXPMSOIGLWFOW-CYBMUJFWSA-N 2 1 294.399 -0.568 20 0 CBADMP CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001001448492 656811649 /nfs/dbraw/zinc/81/16/49/656811649.db2.gz HVXPMSOIGLWFOW-CYBMUJFWSA-N 2 1 294.399 -0.568 20 0 CBADMP CNC(=O)C[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001001448492 656811651 /nfs/dbraw/zinc/81/16/51/656811651.db2.gz HVXPMSOIGLWFOW-CYBMUJFWSA-N 2 1 294.399 -0.568 20 0 CBADMP CNC(=O)C[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001001448492 656811653 /nfs/dbraw/zinc/81/16/53/656811653.db2.gz HVXPMSOIGLWFOW-CYBMUJFWSA-N 2 1 294.399 -0.568 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000909437435 656813385 /nfs/dbraw/zinc/81/33/85/656813385.db2.gz IYSILDGZLMVJNQ-DZGCQCFKSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000909437435 656813388 /nfs/dbraw/zinc/81/33/88/656813388.db2.gz IYSILDGZLMVJNQ-DZGCQCFKSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000909437435 656813391 /nfs/dbraw/zinc/81/33/91/656813391.db2.gz IYSILDGZLMVJNQ-DZGCQCFKSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000909437435 656813393 /nfs/dbraw/zinc/81/33/93/656813393.db2.gz IYSILDGZLMVJNQ-DZGCQCFKSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000909437436 656813676 /nfs/dbraw/zinc/81/36/76/656813676.db2.gz IYSILDGZLMVJNQ-HIFRSBDPSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000909437436 656813679 /nfs/dbraw/zinc/81/36/79/656813679.db2.gz IYSILDGZLMVJNQ-HIFRSBDPSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000909437436 656813683 /nfs/dbraw/zinc/81/36/83/656813683.db2.gz IYSILDGZLMVJNQ-HIFRSBDPSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000909437436 656813688 /nfs/dbraw/zinc/81/36/88/656813688.db2.gz IYSILDGZLMVJNQ-HIFRSBDPSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000909439138 656813754 /nfs/dbraw/zinc/81/37/54/656813754.db2.gz ZJFRQBHRQRVVSY-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000909439138 656813756 /nfs/dbraw/zinc/81/37/56/656813756.db2.gz ZJFRQBHRQRVVSY-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NC(C)(C)C[NH+](C)C)C1 ZINC000909561003 656817356 /nfs/dbraw/zinc/81/73/56/656817356.db2.gz USJZRKGMPZVFKG-UHFFFAOYSA-N 2 1 270.421 -0.064 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001001831991 656822218 /nfs/dbraw/zinc/82/22/18/656822218.db2.gz BTUMFTNVJFWOTH-DGCLKSJQSA-N 2 1 296.415 -0.502 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001002478382 656835349 /nfs/dbraw/zinc/83/53/49/656835349.db2.gz CGNZZMZUCPTATR-OLZOCXBDSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001002478382 656835353 /nfs/dbraw/zinc/83/53/53/656835353.db2.gz CGNZZMZUCPTATR-OLZOCXBDSA-N 2 1 294.399 -0.450 20 0 CBADMP NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002832312 656842257 /nfs/dbraw/zinc/84/22/57/656842257.db2.gz LSMCSVGOLQAVQK-ZDUSSCGKSA-N 2 1 294.399 -0.606 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001003627823 656866047 /nfs/dbraw/zinc/86/60/47/656866047.db2.gz ITYVVWPYLCTRAM-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003627823 656866048 /nfs/dbraw/zinc/86/60/48/656866048.db2.gz ITYVVWPYLCTRAM-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000910553572 656874376 /nfs/dbraw/zinc/87/43/76/656874376.db2.gz IBSRYJCHIUTASV-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000910553572 656874379 /nfs/dbraw/zinc/87/43/79/656874379.db2.gz IBSRYJCHIUTASV-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[NH+](CC)CC1 ZINC000910556272 656875476 /nfs/dbraw/zinc/87/54/76/656875476.db2.gz IJMHDLNXBOKXNV-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[NH+](CC)CC1 ZINC000910556272 656875481 /nfs/dbraw/zinc/87/54/81/656875481.db2.gz IJMHDLNXBOKXNV-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[N@H+](CC)CC1 ZINC000910556272 656875484 /nfs/dbraw/zinc/87/54/84/656875484.db2.gz IJMHDLNXBOKXNV-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000910556272 656875490 /nfs/dbraw/zinc/87/54/90/656875490.db2.gz IJMHDLNXBOKXNV-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004147428 656881883 /nfs/dbraw/zinc/88/18/83/656881883.db2.gz HCSMIKHRMQUMIK-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](CCO)CC1 ZINC001004159484 656882484 /nfs/dbraw/zinc/88/24/84/656882484.db2.gz DTNDPCYYCAOKDR-UHFFFAOYSA-N 2 1 266.345 -0.236 20 0 CBADMP CNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005180642 656894954 /nfs/dbraw/zinc/89/49/54/656894954.db2.gz ULSRFSVOHHUIAG-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001005180642 656894955 /nfs/dbraw/zinc/89/49/55/656894955.db2.gz ULSRFSVOHHUIAG-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](CCO)CC2)O1 ZINC001005585302 656916360 /nfs/dbraw/zinc/91/63/60/656916360.db2.gz RFWAVQWWOYHMOP-TZMCWYRMSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](CCO)CC2)O1 ZINC001005585302 656916374 /nfs/dbraw/zinc/91/63/74/656916374.db2.gz RFWAVQWWOYHMOP-TZMCWYRMSA-N 2 1 299.415 -0.379 20 0 CBADMP 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 656929298 /nfs/dbraw/zinc/92/92/98/656929298.db2.gz CVAJFGNRAJLWPB-DDHJBXDOSA-N 2 1 282.388 -0.609 20 0 CBADMP C[NH2+]CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000911074051 656940456 /nfs/dbraw/zinc/94/04/56/656940456.db2.gz YPBJSKCJYVTKDI-LBPRGKRZSA-N 2 1 296.415 -0.204 20 0 CBADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC001006296031 656942044 /nfs/dbraw/zinc/94/20/44/656942044.db2.gz XIPLULNSMUADGM-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC001006296031 656942048 /nfs/dbraw/zinc/94/20/48/656942048.db2.gz XIPLULNSMUADGM-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CC(N)=O)CC1 ZINC001006300331 656942448 /nfs/dbraw/zinc/94/24/48/656942448.db2.gz UHZGCNASZPLMDV-UHFFFAOYSA-N 2 1 294.399 -0.510 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006399479 656945761 /nfs/dbraw/zinc/94/57/61/656945761.db2.gz KYDOMCLRVGGFHK-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006399479 656945766 /nfs/dbraw/zinc/94/57/66/656945766.db2.gz KYDOMCLRVGGFHK-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911138800 656961729 /nfs/dbraw/zinc/96/17/29/656961729.db2.gz VVFVQCSCMYRGSI-OLZOCXBDSA-N 2 1 298.431 -0.194 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911146264 656964203 /nfs/dbraw/zinc/96/42/03/656964203.db2.gz KPLYQPQGKRBALP-KOLCDFICSA-N 2 1 280.372 -0.807 20 0 CBADMP 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 656964226 /nfs/dbraw/zinc/96/42/26/656964226.db2.gz RGSABBIIHNKLOR-HNCHTBHHSA-N 2 1 294.399 -0.467 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000911148237 656965175 /nfs/dbraw/zinc/96/51/75/656965175.db2.gz VNKLEOXSVJOLCF-SRVKXCTJSA-N 2 1 294.399 -0.323 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)C1CC1 ZINC000911189262 656977183 /nfs/dbraw/zinc/97/71/83/656977183.db2.gz ZWJVXQRUDFLQJB-GFCCVEGCSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[N@@H+](C)C1CC1 ZINC000911206181 656984416 /nfs/dbraw/zinc/98/44/16/656984416.db2.gz QAKFBMQLOBQNLL-SECBINFHSA-N 2 1 268.361 -0.807 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[N@@H+](C)C1CC1 ZINC000911204818 656984567 /nfs/dbraw/zinc/98/45/67/656984567.db2.gz HUNOZZPKTBXKFQ-VCDKRKBESA-N 2 1 294.399 -0.406 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911209063 656986783 /nfs/dbraw/zinc/98/67/83/656986783.db2.gz LSDGKCQJDZYOJD-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000911214439 656987691 /nfs/dbraw/zinc/98/76/91/656987691.db2.gz FBPPAIFQESVKAR-MROQNXINSA-N 2 1 294.399 -0.547 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000911224195 656990096 /nfs/dbraw/zinc/99/00/96/656990096.db2.gz VHHXEUOZLXDSHL-JHJVBQTASA-N 2 1 294.399 -0.560 20 0 CBADMP O=C(N[C@@H]1CCC[N@H+](CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001007349250 657005481 /nfs/dbraw/zinc/00/54/81/657005481.db2.gz MFMVPHVINZRKPC-KGLIPLIRSA-N 2 1 281.400 -0.099 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000911275846 657006224 /nfs/dbraw/zinc/00/62/24/657006224.db2.gz ZNKKOZXQMVPBMJ-NSHDSACASA-N 2 1 282.388 -0.687 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000911280885 657009181 /nfs/dbraw/zinc/00/91/81/657009181.db2.gz NDZUFRWRTCTVIY-GFCCVEGCSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000911280885 657009192 /nfs/dbraw/zinc/00/91/92/657009192.db2.gz NDZUFRWRTCTVIY-GFCCVEGCSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000911282661 657009565 /nfs/dbraw/zinc/00/95/65/657009565.db2.gz VVCSRJCLWVKUAR-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000911282661 657009575 /nfs/dbraw/zinc/00/95/75/657009575.db2.gz VVCSRJCLWVKUAR-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000911282455 657010315 /nfs/dbraw/zinc/01/03/15/657010315.db2.gz QUUIYEXJDDNYHI-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000911291497 657011942 /nfs/dbraw/zinc/01/19/42/657011942.db2.gz KYJABJUBEIKISZ-QWHCGFSZSA-N 2 1 298.431 -0.114 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000911291497 657011951 /nfs/dbraw/zinc/01/19/51/657011951.db2.gz KYJABJUBEIKISZ-QWHCGFSZSA-N 2 1 298.431 -0.114 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911294710 657012911 /nfs/dbraw/zinc/01/29/11/657012911.db2.gz WDXSBQPEYDMDAQ-LBPRGKRZSA-N 2 1 298.431 -0.066 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000911339689 657024256 /nfs/dbraw/zinc/02/42/56/657024256.db2.gz WSAGWWWHYYANTL-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000911339689 657024260 /nfs/dbraw/zinc/02/42/60/657024260.db2.gz WSAGWWWHYYANTL-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001007950749 657027610 /nfs/dbraw/zinc/02/76/10/657027610.db2.gz IAFHFUUKUQVENM-LBPRGKRZSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001007950749 657027614 /nfs/dbraw/zinc/02/76/14/657027614.db2.gz IAFHFUUKUQVENM-LBPRGKRZSA-N 2 1 266.345 -0.236 20 0 CBADMP 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 657028854 /nfs/dbraw/zinc/02/88/54/657028854.db2.gz BYWOCDHBPNUXPN-FDYHWXHSSA-N 2 1 296.415 -0.491 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001008543504 657049886 /nfs/dbraw/zinc/04/98/86/657049886.db2.gz WPFFFKUZBYWASA-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001008543504 657049888 /nfs/dbraw/zinc/04/98/88/657049888.db2.gz WPFFFKUZBYWASA-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001008543504 657049892 /nfs/dbraw/zinc/04/98/92/657049892.db2.gz WPFFFKUZBYWASA-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911506095 657059325 /nfs/dbraw/zinc/05/93/25/657059325.db2.gz KONSYBZDMLLHKS-NSHDSACASA-N 2 1 282.388 -0.558 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)[C@@H](C)C1 ZINC000911505388 657059340 /nfs/dbraw/zinc/05/93/40/657059340.db2.gz BXVUNCOKRQTOOS-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911505833 657059495 /nfs/dbraw/zinc/05/94/95/657059495.db2.gz UTNGJABVYBYSBX-GFCCVEGCSA-N 2 1 296.415 -0.312 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC2([NH3+])CC2)C[C@H]1C ZINC000911506614 657060523 /nfs/dbraw/zinc/06/05/23/657060523.db2.gz PUTKLOXYVNLRIO-MNOVXSKESA-N 2 1 282.388 -0.465 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC2([NH3+])CC2)C[C@H]1C ZINC000911506614 657060527 /nfs/dbraw/zinc/06/05/27/657060527.db2.gz PUTKLOXYVNLRIO-MNOVXSKESA-N 2 1 282.388 -0.465 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC2([NH3+])CC2)C[C@@H]1C ZINC000911506615 657060864 /nfs/dbraw/zinc/06/08/64/657060864.db2.gz PUTKLOXYVNLRIO-QWRGUYRKSA-N 2 1 282.388 -0.465 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC2([NH3+])CC2)C[C@@H]1C ZINC000911506615 657060867 /nfs/dbraw/zinc/06/08/67/657060867.db2.gz PUTKLOXYVNLRIO-QWRGUYRKSA-N 2 1 282.388 -0.465 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911527513 657067412 /nfs/dbraw/zinc/06/74/12/657067412.db2.gz GPTGKNJFALWHMZ-NEPJUHHUSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911535306 657069353 /nfs/dbraw/zinc/06/93/53/657069353.db2.gz GHWPKNLLXGOYHB-YNEHKIRRSA-N 2 1 294.399 -0.450 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000911533784 657069591 /nfs/dbraw/zinc/06/95/91/657069591.db2.gz RHTFEMNBRPGPKG-UHFFFAOYSA-N 2 1 296.415 -0.344 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(C)C ZINC000911548952 657075078 /nfs/dbraw/zinc/07/50/78/657075078.db2.gz CYEMYWUQCFELGU-FRRDWIJNSA-N 2 1 296.415 -0.158 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911557249 657076788 /nfs/dbraw/zinc/07/67/88/657076788.db2.gz NEIWFISTPNVXFN-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC001009507892 657077180 /nfs/dbraw/zinc/07/71/80/657077180.db2.gz INZYKNGMYKTVSA-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC001009507892 657077186 /nfs/dbraw/zinc/07/71/86/657077186.db2.gz INZYKNGMYKTVSA-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC001009507892 657077193 /nfs/dbraw/zinc/07/71/93/657077193.db2.gz INZYKNGMYKTVSA-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911563775 657079188 /nfs/dbraw/zinc/07/91/88/657079188.db2.gz RHIMVIHLNSKGLR-SRVKXCTJSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(CCCF)CC1 ZINC000911591264 657082752 /nfs/dbraw/zinc/08/27/52/657082752.db2.gz YTKOJAGQDKFZOM-OCCSQVGLSA-N 2 1 287.379 -0.055 20 0 CBADMP CN1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(CCCF)CC1 ZINC000911591264 657082761 /nfs/dbraw/zinc/08/27/61/657082761.db2.gz YTKOJAGQDKFZOM-OCCSQVGLSA-N 2 1 287.379 -0.055 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(CCCF)CC1 ZINC000911591265 657083096 /nfs/dbraw/zinc/08/30/96/657083096.db2.gz YTKOJAGQDKFZOM-TZMCWYRMSA-N 2 1 287.379 -0.055 20 0 CBADMP CN1C[C@H](O)C[C@]1(C)C(=O)N1CCN(CCCF)CC1 ZINC000911591265 657083102 /nfs/dbraw/zinc/08/31/02/657083102.db2.gz YTKOJAGQDKFZOM-TZMCWYRMSA-N 2 1 287.379 -0.055 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000911695627 657105785 /nfs/dbraw/zinc/10/57/85/657105785.db2.gz OLNJUQQKPVAQCJ-ZDUSSCGKSA-N 2 1 268.405 -0.119 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911879028 657153718 /nfs/dbraw/zinc/15/37/18/657153718.db2.gz KIEWCFSUFUFMJP-STQMWFEESA-N 2 1 268.405 -0.040 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(CCO)C2CC[NH+](C)CC2)C1 ZINC000911938412 657171308 /nfs/dbraw/zinc/17/13/08/657171308.db2.gz HZYAPXQPKDUFQJ-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(CCO)C2CC[NH+](C)CC2)C1 ZINC000911938412 657171319 /nfs/dbraw/zinc/17/13/19/657171319.db2.gz HZYAPXQPKDUFQJ-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)C[NH+](C)C1CCC1 ZINC000912598668 657288842 /nfs/dbraw/zinc/28/88/42/657288842.db2.gz HOHYQKZWHAAFQH-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)C[N@H+](C)C1CCC1 ZINC000912598668 657288847 /nfs/dbraw/zinc/28/88/47/657288847.db2.gz HOHYQKZWHAAFQH-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)C[N@@H+](C)C1CCC1 ZINC000912598668 657288854 /nfs/dbraw/zinc/28/88/54/657288854.db2.gz HOHYQKZWHAAFQH-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000912602321 657291242 /nfs/dbraw/zinc/29/12/42/657291242.db2.gz XZKLCZHJFKDZOZ-ZDUSSCGKSA-N 2 1 285.388 -0.910 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000912603770 657292642 /nfs/dbraw/zinc/29/26/42/657292642.db2.gz CBKXRTRHLSJPJC-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000912603770 657292647 /nfs/dbraw/zinc/29/26/47/657292647.db2.gz CBKXRTRHLSJPJC-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000912603770 657292649 /nfs/dbraw/zinc/29/26/49/657292649.db2.gz CBKXRTRHLSJPJC-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[N@@H+](C)CCO ZINC000912608757 657298505 /nfs/dbraw/zinc/29/85/05/657298505.db2.gz WTLDMXYGEMKLTD-CYBMUJFWSA-N 2 1 287.404 -0.663 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912904231 657357579 /nfs/dbraw/zinc/35/75/79/657357579.db2.gz SJWNFLBULVDAOI-OUCADQQQSA-N 2 1 267.373 -0.252 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001014460759 657361581 /nfs/dbraw/zinc/36/15/81/657361581.db2.gz YUOPHQHFXIMYFM-QWHCGFSZSA-N 2 1 267.373 -0.489 20 0 CBADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCO)C1 ZINC001014961377 657393411 /nfs/dbraw/zinc/39/34/11/657393411.db2.gz HIFLZMTZUAASNI-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCO)C1 ZINC001014961377 657393415 /nfs/dbraw/zinc/39/34/15/657393415.db2.gz HIFLZMTZUAASNI-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001014961377 657393420 /nfs/dbraw/zinc/39/34/20/657393420.db2.gz HIFLZMTZUAASNI-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001014961377 657393422 /nfs/dbraw/zinc/39/34/22/657393422.db2.gz HIFLZMTZUAASNI-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000913178053 657394910 /nfs/dbraw/zinc/39/49/10/657394910.db2.gz BQTKYLUXNTXDIS-DZGCQCFKSA-N 2 1 297.399 -0.530 20 0 CBADMP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000913178053 657394924 /nfs/dbraw/zinc/39/49/24/657394924.db2.gz BQTKYLUXNTXDIS-DZGCQCFKSA-N 2 1 297.399 -0.530 20 0 CBADMP C[N@H+](CC(=O)NC[C@]1(CO)COCC[NH2+]1)CC(C)(C)C ZINC000913179426 657396194 /nfs/dbraw/zinc/39/61/94/657396194.db2.gz PVDLJZSJKMJUMS-AWEZNQCLSA-N 2 1 287.404 -0.569 20 0 CBADMP C[N@@H+](CC(=O)NC[C@]1(CO)COCC[NH2+]1)CC(C)(C)C ZINC000913179426 657396197 /nfs/dbraw/zinc/39/61/97/657396197.db2.gz PVDLJZSJKMJUMS-AWEZNQCLSA-N 2 1 287.404 -0.569 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913189303 657414759 /nfs/dbraw/zinc/41/47/59/657414759.db2.gz UQSIKRRWVYWRIU-MBNYWOFBSA-N 2 1 285.388 -0.674 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913189303 657414765 /nfs/dbraw/zinc/41/47/65/657414765.db2.gz UQSIKRRWVYWRIU-MBNYWOFBSA-N 2 1 285.388 -0.674 20 0 CBADMP CC[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)[NH+](CC)CC ZINC000913189214 657415229 /nfs/dbraw/zinc/41/52/29/657415229.db2.gz SDNNSOYAXOPCRK-OCCSQVGLSA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913189302 657415516 /nfs/dbraw/zinc/41/55/16/657415516.db2.gz UQSIKRRWVYWRIU-BZPMIXESSA-N 2 1 285.388 -0.674 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](C)[C@H](CO)C2)C1 ZINC000913541979 657504680 /nfs/dbraw/zinc/50/46/80/657504680.db2.gz ZNXSTGGVIJIANY-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+](C)[C@H](CO)C2)C1 ZINC000913541979 657504688 /nfs/dbraw/zinc/50/46/88/657504688.db2.gz ZNXSTGGVIJIANY-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC000913541979 657504691 /nfs/dbraw/zinc/50/46/91/657504691.db2.gz ZNXSTGGVIJIANY-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC000913541979 657504697 /nfs/dbraw/zinc/50/46/97/657504697.db2.gz ZNXSTGGVIJIANY-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649409 657505255 /nfs/dbraw/zinc/50/52/55/657505255.db2.gz UTFYRGSGZLACRR-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649409 657505271 /nfs/dbraw/zinc/50/52/71/657505271.db2.gz UTFYRGSGZLACRR-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CCO)C1 ZINC001015705123 657523285 /nfs/dbraw/zinc/52/32/85/657523285.db2.gz IDEHYGHILOHJBA-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001015705123 657523294 /nfs/dbraw/zinc/52/32/94/657523294.db2.gz IDEHYGHILOHJBA-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001015705123 657523303 /nfs/dbraw/zinc/52/33/03/657523303.db2.gz IDEHYGHILOHJBA-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCn3cncn3)C2)C1 ZINC001016249968 657672061 /nfs/dbraw/zinc/67/20/61/657672061.db2.gz LLUIPYPWAPPRDZ-QWHCGFSZSA-N 2 1 292.387 -0.580 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C2)C1 ZINC001016249968 657672072 /nfs/dbraw/zinc/67/20/72/657672072.db2.gz LLUIPYPWAPPRDZ-QWHCGFSZSA-N 2 1 292.387 -0.580 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001016249968 657672076 /nfs/dbraw/zinc/67/20/76/657672076.db2.gz LLUIPYPWAPPRDZ-QWHCGFSZSA-N 2 1 292.387 -0.580 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC23CC[NH+](CCO)CC3)C1 ZINC001016553836 657721216 /nfs/dbraw/zinc/72/12/16/657721216.db2.gz TVWQJVQCLRKEQN-STQMWFEESA-N 2 1 297.399 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC23CC[NH+](CCO)CC3)C1 ZINC001016553836 657721230 /nfs/dbraw/zinc/72/12/30/657721230.db2.gz TVWQJVQCLRKEQN-STQMWFEESA-N 2 1 297.399 -0.720 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CO)CC1 ZINC000916572981 657780377 /nfs/dbraw/zinc/78/03/77/657780377.db2.gz SDKZZYYSUOKORK-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001018626693 657828475 /nfs/dbraw/zinc/82/84/75/657828475.db2.gz BFKSMUKNHWTEAL-NWDGAFQWSA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001018626693 657828479 /nfs/dbraw/zinc/82/84/79/657828479.db2.gz BFKSMUKNHWTEAL-NWDGAFQWSA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001018628478 657828592 /nfs/dbraw/zinc/82/85/92/657828592.db2.gz LXGMVNKYUDGUBB-RYUDHWBXSA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001018628478 657828593 /nfs/dbraw/zinc/82/85/93/657828593.db2.gz LXGMVNKYUDGUBB-RYUDHWBXSA-N 2 1 292.387 -0.400 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001018634544 657829439 /nfs/dbraw/zinc/82/94/39/657829439.db2.gz JZGDZGMEZXULLK-QWHCGFSZSA-N 2 1 292.387 -0.437 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)CC[N@H+]1C ZINC001018873176 657851186 /nfs/dbraw/zinc/85/11/86/657851186.db2.gz MTRFPQSIQUZLPH-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001018971869 657855716 /nfs/dbraw/zinc/85/57/16/657855716.db2.gz XUPLFKRORJXKMC-JTQLQIEISA-N 2 1 268.361 -0.854 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001018971876 657856116 /nfs/dbraw/zinc/85/61/16/657856116.db2.gz YERRLNHFZBWINJ-AAEUAGOBSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018990950 657856997 /nfs/dbraw/zinc/85/69/97/657856997.db2.gz RSXCSZRDSSAXSB-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019076255 657861692 /nfs/dbraw/zinc/86/16/92/657861692.db2.gz SMLKQORXJZNFIA-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019169974 657867620 /nfs/dbraw/zinc/86/76/20/657867620.db2.gz SXJUKSJWEBWJKN-FMPXUHTOSA-N 2 1 295.383 -0.968 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001019290082 657880527 /nfs/dbraw/zinc/88/05/27/657880527.db2.gz PJNYIGOSUGGDAG-SRVKXCTJSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019384212 657891649 /nfs/dbraw/zinc/89/16/49/657891649.db2.gz XDYBAMQRSBJMQL-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019654724 657926255 /nfs/dbraw/zinc/92/62/55/657926255.db2.gz AILXINFTNUHZHE-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC001020028510 657990197 /nfs/dbraw/zinc/99/01/97/657990197.db2.gz BDZOFGSZWNFJPA-IJLUTSLNSA-N 2 1 292.387 -0.056 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000922164568 658015246 /nfs/dbraw/zinc/01/52/46/658015246.db2.gz WDXBNQQWAGSTSC-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)CC[N@H+]1C ZINC001020172112 658021839 /nfs/dbraw/zinc/02/18/39/658021839.db2.gz MKMNTDMSBFWBQU-DDHJBXDOSA-N 2 1 255.362 -0.444 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001020214417 658027018 /nfs/dbraw/zinc/02/70/18/658027018.db2.gz SNNYANZNADZLNS-CYDGBPFRSA-N 2 1 296.415 -0.029 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020237988 658029756 /nfs/dbraw/zinc/02/97/56/658029756.db2.gz JWENYHUIZDJXBP-JHJVBQTASA-N 2 1 296.415 -0.314 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001020237853 658029787 /nfs/dbraw/zinc/02/97/87/658029787.db2.gz FNWORUGGBJZPMY-GMTAPVOTSA-N 2 1 291.355 -0.517 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001020286989 658035523 /nfs/dbraw/zinc/03/55/23/658035523.db2.gz RTTMRKCDDOLJBF-FPYNETTCSA-N 2 1 285.388 -0.677 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001020286989 658035532 /nfs/dbraw/zinc/03/55/32/658035532.db2.gz RTTMRKCDDOLJBF-FPYNETTCSA-N 2 1 285.388 -0.677 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020587691 658075292 /nfs/dbraw/zinc/07/52/92/658075292.db2.gz QRLOIWRGLKNLGF-IJLUTSLNSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001020589074 658076462 /nfs/dbraw/zinc/07/64/62/658076462.db2.gz WFBQWJIXQBHJQS-WRWGMCAJSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000922993246 658120270 /nfs/dbraw/zinc/12/02/70/658120270.db2.gz IVQUKDANXICXHN-LBPRGKRZSA-N 2 1 284.404 -0.211 20 0 CBADMP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001021045291 658135816 /nfs/dbraw/zinc/13/58/16/658135816.db2.gz ZVURNLRDAYIRSJ-CYDGBPFRSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001021043566 658136815 /nfs/dbraw/zinc/13/68/15/658136815.db2.gz CGLUCNZFXSIBJV-NAKRPEOUSA-N 2 1 268.361 -0.951 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001021080332 658145798 /nfs/dbraw/zinc/14/57/98/658145798.db2.gz MNGJVZNKCSBRBS-LPWJVIDDSA-N 2 1 285.388 -0.675 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001021080332 658145788 /nfs/dbraw/zinc/14/57/88/658145788.db2.gz MNGJVZNKCSBRBS-LPWJVIDDSA-N 2 1 285.388 -0.675 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001021080329 658148083 /nfs/dbraw/zinc/14/80/83/658148083.db2.gz MNGJVZNKCSBRBS-FDYHWXHSSA-N 2 1 285.388 -0.675 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001021080329 658148106 /nfs/dbraw/zinc/14/81/06/658148106.db2.gz MNGJVZNKCSBRBS-FDYHWXHSSA-N 2 1 285.388 -0.675 20 0 CBADMP CSC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000923282213 658189641 /nfs/dbraw/zinc/18/96/41/658189641.db2.gz STXVNWBAUYAFMP-MNOVXSKESA-N 2 1 275.418 -0.503 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001021218820 658159250 /nfs/dbraw/zinc/15/92/50/658159250.db2.gz BIZGYEFWUSGXBD-GSPSYOTPSA-N 2 1 297.399 -0.579 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001021218820 658159265 /nfs/dbraw/zinc/15/92/65/658159265.db2.gz BIZGYEFWUSGXBD-GSPSYOTPSA-N 2 1 297.399 -0.579 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001021218820 658159272 /nfs/dbraw/zinc/15/92/72/658159272.db2.gz BIZGYEFWUSGXBD-GSPSYOTPSA-N 2 1 297.399 -0.579 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001021218820 658159282 /nfs/dbraw/zinc/15/92/82/658159282.db2.gz BIZGYEFWUSGXBD-GSPSYOTPSA-N 2 1 297.399 -0.579 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923280635 658190120 /nfs/dbraw/zinc/19/01/20/658190120.db2.gz IJMKSVDOMCJDSF-GFCCVEGCSA-N 3 1 268.405 -0.085 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923280635 658190159 /nfs/dbraw/zinc/19/01/59/658190159.db2.gz IJMKSVDOMCJDSF-GFCCVEGCSA-N 2 1 268.405 -0.085 20 0 CBADMP CC[C@H](O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283168 658191053 /nfs/dbraw/zinc/19/10/53/658191053.db2.gz SMGKUCSCUSAMGU-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP CCOCCOCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000923281763 658191307 /nfs/dbraw/zinc/19/13/07/658191307.db2.gz PGDNMWMJUMDCPZ-CYBMUJFWSA-N 2 1 287.404 -0.174 20 0 CBADMP CC(=O)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923300006 658196743 /nfs/dbraw/zinc/19/67/43/658196743.db2.gz LEBCRQNFMAXRNF-LBPRGKRZSA-N 2 1 253.346 -0.471 20 0 CBADMP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303455 658196829 /nfs/dbraw/zinc/19/68/29/658196829.db2.gz NFOOXKWWDGYYJK-RYUDHWBXSA-N 2 1 267.373 -0.035 20 0 CBADMP COCC(=O)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923301208 658197137 /nfs/dbraw/zinc/19/71/37/658197137.db2.gz QICOJBGFTLSQTK-GFCCVEGCSA-N 2 1 283.372 -0.845 20 0 CBADMP CCNC(=O)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923302589 658197227 /nfs/dbraw/zinc/19/72/27/658197227.db2.gz WZHVYECJZHDDRX-GFCCVEGCSA-N 2 1 282.388 -0.288 20 0 CBADMP CC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000923304118 658198620 /nfs/dbraw/zinc/19/86/20/658198620.db2.gz UBQQTWCKMOPRHZ-NWDGAFQWSA-N 2 1 288.413 -0.126 20 0 CBADMP CC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000923304118 658198634 /nfs/dbraw/zinc/19/86/34/658198634.db2.gz UBQQTWCKMOPRHZ-NWDGAFQWSA-N 2 1 288.413 -0.126 20 0 CBADMP CC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000923304120 658198661 /nfs/dbraw/zinc/19/86/61/658198661.db2.gz UBQQTWCKMOPRHZ-VXGBXAGGSA-N 2 1 288.413 -0.126 20 0 CBADMP CC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000923304120 658198670 /nfs/dbraw/zinc/19/86/70/658198670.db2.gz UBQQTWCKMOPRHZ-VXGBXAGGSA-N 2 1 288.413 -0.126 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000923301151 658199313 /nfs/dbraw/zinc/19/93/13/658199313.db2.gz OUUYNRAVNXEDNE-RFGFWPKPSA-N 2 1 297.399 -0.592 20 0 CBADMP CC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000923304119 658200266 /nfs/dbraw/zinc/20/02/66/658200266.db2.gz UBQQTWCKMOPRHZ-RYUDHWBXSA-N 2 1 288.413 -0.126 20 0 CBADMP CC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000923304119 658200283 /nfs/dbraw/zinc/20/02/83/658200283.db2.gz UBQQTWCKMOPRHZ-RYUDHWBXSA-N 2 1 288.413 -0.126 20 0 CBADMP CC[N@H+](CC(=O)N(C)C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303672 658200387 /nfs/dbraw/zinc/20/03/87/658200387.db2.gz HJYDBQSJKOGHDV-NSHDSACASA-N 2 1 255.362 -0.225 20 0 CBADMP CNC(=O)[C@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306182 658201276 /nfs/dbraw/zinc/20/12/76/658201276.db2.gz HXLFSJWJJAQANP-GHMZBOCLSA-N 2 1 253.346 -0.425 20 0 CBADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923313211 658203958 /nfs/dbraw/zinc/20/39/58/658203958.db2.gz PXAZERLXYYUJCI-RYUDHWBXSA-N 2 1 267.373 -0.177 20 0 CBADMP CCCC[N@H+](CC(N)=O)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307267 658205836 /nfs/dbraw/zinc/20/58/36/658205836.db2.gz QXJPWHDQGNVGHY-NSHDSACASA-N 2 1 255.362 -0.048 20 0 CBADMP COCC[NH+]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923318950 658208192 /nfs/dbraw/zinc/20/81/92/658208192.db2.gz JUKCCIWGUMTWJE-CYBMUJFWSA-N 2 1 269.389 -0.371 20 0 CBADMP c1cnc(N2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)nc1 ZINC000923319776 658213104 /nfs/dbraw/zinc/21/31/04/658213104.db2.gz ZSUARKNVXWTTHQ-CYBMUJFWSA-N 2 1 289.383 -0.023 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923328743 658214520 /nfs/dbraw/zinc/21/45/20/658214520.db2.gz CETSYZCBGMKNCA-KGLIPLIRSA-N 2 1 271.405 -0.248 20 0 CBADMP O[C@H](Cn1cccn1)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923334550 658219816 /nfs/dbraw/zinc/21/98/16/658219816.db2.gz VWPIHPYLTQYGSA-STQMWFEESA-N 2 1 250.346 -0.071 20 0 CBADMP CCOC[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923347190 658220012 /nfs/dbraw/zinc/22/00/12/658220012.db2.gz ZORDHYROHYQCIK-CHWSQXEVSA-N 2 1 287.404 -0.297 20 0 CBADMP CC[C@@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)CC[C@H]1[NH3+] ZINC000923346367 658221182 /nfs/dbraw/zinc/22/11/82/658221182.db2.gz WYBBYZWCNIDMEG-GHMZBOCLSA-N 2 1 268.361 -0.060 20 0 CBADMP CC[C@@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)CC[C@H]1[NH3+] ZINC000923346367 658221191 /nfs/dbraw/zinc/22/11/91/658221191.db2.gz WYBBYZWCNIDMEG-GHMZBOCLSA-N 2 1 268.361 -0.060 20 0 CBADMP CC[C@@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923464332 658295762 /nfs/dbraw/zinc/29/57/62/658295762.db2.gz MYQHZCUTRNZBMM-VXGBXAGGSA-N 2 1 256.394 -0.216 20 0 CBADMP Cc1cccc(OC[C@@H](O)C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000923367151 658235355 /nfs/dbraw/zinc/23/53/55/658235355.db2.gz SXSLDGULWBJXOJ-OLZOCXBDSA-N 2 1 268.357 -0.014 20 0 CBADMP Cc1cccc(OC[C@@H](O)C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000923367151 658235373 /nfs/dbraw/zinc/23/53/73/658235373.db2.gz SXSLDGULWBJXOJ-OLZOCXBDSA-N 2 1 268.357 -0.014 20 0 CBADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCN1C(=O)CN(C)C1=O ZINC000923369964 658239757 /nfs/dbraw/zinc/23/97/57/658239757.db2.gz NTEKJXNXYDCVIL-FOGDFJRCSA-N 2 1 268.361 -0.144 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000923370017 658242371 /nfs/dbraw/zinc/24/23/71/658242371.db2.gz OFXXSDUHNOWIGJ-IGQOVBAYSA-N 2 1 273.421 -0.098 20 0 CBADMP COC(=O)N(C)CC[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923387354 658250233 /nfs/dbraw/zinc/25/02/33/658250233.db2.gz DCTXAZXJTUVMAC-NSHDSACASA-N 2 1 271.361 -0.005 20 0 CBADMP COCC[NH2+]C1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000923387677 658251011 /nfs/dbraw/zinc/25/10/11/658251011.db2.gz JTARCIQLMDUPLB-AWEZNQCLSA-N 2 1 282.388 -0.056 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CCN1C(=O)CN(C)C1=O ZINC000923402040 658257986 /nfs/dbraw/zinc/25/79/86/658257986.db2.gz STLTXAYNTVLNKE-UHFFFAOYSA-N 2 1 272.349 -0.952 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000923400284 658261457 /nfs/dbraw/zinc/26/14/57/658261457.db2.gz XPFOWPQLUCFKEU-LLVKDONJSA-N 2 1 256.350 -0.990 20 0 CBADMP C[C@H]1C[N@H+](CCN2CCC[C@@H]([NH2+]CCO)C2)CCO1 ZINC000923405702 658261763 /nfs/dbraw/zinc/26/17/63/658261763.db2.gz HNIKPZCLMPUKMS-UONOGXRCSA-N 2 1 271.405 -0.247 20 0 CBADMP C[C@H]1C[N@@H+](CCN2CCC[C@@H]([NH2+]CCO)C2)CCO1 ZINC000923405702 658261786 /nfs/dbraw/zinc/26/17/86/658261786.db2.gz HNIKPZCLMPUKMS-UONOGXRCSA-N 2 1 271.405 -0.247 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)[C@@H]12 ZINC000923413497 658268681 /nfs/dbraw/zinc/26/86/81/658268681.db2.gz DZQFTJFZJQMINA-YNEHKIRRSA-N 2 1 295.383 -0.656 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)[C@@H]12 ZINC000923413497 658268733 /nfs/dbraw/zinc/26/87/33/658268733.db2.gz DZQFTJFZJQMINA-YNEHKIRRSA-N 2 1 295.383 -0.656 20 0 CBADMP CC[C@H](O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923415010 658271305 /nfs/dbraw/zinc/27/13/05/658271305.db2.gz PIZFZGPIIGDQNV-KXNHARMFSA-N 2 1 269.345 -0.376 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000923416031 658271401 /nfs/dbraw/zinc/27/14/01/658271401.db2.gz KEWFKWPFAMRICR-MELADBBJSA-N 2 1 271.405 -0.248 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000923416028 658271594 /nfs/dbraw/zinc/27/15/94/658271594.db2.gz KEWFKWPFAMRICR-IHRRRGAJSA-N 2 1 271.405 -0.248 20 0 CBADMP CC(C)N(C)C(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923463044 658291334 /nfs/dbraw/zinc/29/13/34/658291334.db2.gz PAUDYBAXJOWILG-LBPRGKRZSA-N 2 1 256.394 -0.264 20 0 CBADMP NC(=O)[C@@H](c1ccc(F)cc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461642 658291529 /nfs/dbraw/zinc/29/15/29/658291529.db2.gz RLWOZFHJLQXINM-CYBMUJFWSA-N 2 1 280.347 -0.153 20 0 CBADMP CC(C)[C@@H](C)NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923466580 658298462 /nfs/dbraw/zinc/29/84/62/658298462.db2.gz QMKDAOYKIDEEAF-GFCCVEGCSA-N 2 1 256.394 -0.358 20 0 CBADMP CC1CCN(C(=O)CN2CC[NH2+]CC[NH2+]CC2)CC1 ZINC000923466016 658298768 /nfs/dbraw/zinc/29/87/68/658298768.db2.gz QLPIGVXZXZVUBA-UHFFFAOYSA-N 2 1 268.405 -0.260 20 0 CBADMP COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480749 658302639 /nfs/dbraw/zinc/30/26/39/658302639.db2.gz CHYUWUAYOMQRBU-GFCCVEGCSA-N 2 1 293.433 -0.387 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923490701 658306347 /nfs/dbraw/zinc/30/63/47/658306347.db2.gz FHEGYGZEIGASPQ-JHJVBQTASA-N 2 1 260.378 -0.073 20 0 CBADMP C[C@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)CC[C@@H]1C[NH3+] ZINC000923494607 658308807 /nfs/dbraw/zinc/30/88/07/658308807.db2.gz ZASSGMXTZAJSHV-WDEREUQCSA-N 2 1 268.361 -0.203 20 0 CBADMP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923498686 658308883 /nfs/dbraw/zinc/30/88/83/658308883.db2.gz JBJUPRDMGFCQOL-QWHCGFSZSA-N 2 1 298.431 -0.112 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)CC[C@@H]1C[NH3+] ZINC000923502565 658309230 /nfs/dbraw/zinc/30/92/30/658309230.db2.gz BVZDGFFXRICLHJ-NXEZZACHSA-N 2 1 268.361 -0.109 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1)C(=O)N(C)C ZINC000923500981 658311417 /nfs/dbraw/zinc/31/14/17/658311417.db2.gz SWDOKLXOGPFPSO-GRYCIOLGSA-N 2 1 284.404 -0.504 20 0 CBADMP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514081 658311833 /nfs/dbraw/zinc/31/18/33/658311833.db2.gz NAOOVSVVWTUGME-MROQNXINSA-N 2 1 296.415 -0.375 20 0 CBADMP C[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@H]1C[NH3+] ZINC000923502522 658312354 /nfs/dbraw/zinc/31/23/54/658312354.db2.gz ZLMRMCGPMVQABG-QWRGUYRKSA-N 2 1 280.372 -0.499 20 0 CBADMP [NH3+]CCCCCC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000923549371 658318713 /nfs/dbraw/zinc/31/87/13/658318713.db2.gz IZEYFJMEDAJQSG-NSHDSACASA-N 2 1 276.406 -0.660 20 0 CBADMP COC[C@@H]1COCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000923556956 658322514 /nfs/dbraw/zinc/32/25/14/658322514.db2.gz HLABSQICFIUHKM-VXGBXAGGSA-N 2 1 256.346 -0.145 20 0 CBADMP COC[C@@H]1COCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000923556956 658322525 /nfs/dbraw/zinc/32/25/25/658322525.db2.gz HLABSQICFIUHKM-VXGBXAGGSA-N 2 1 256.346 -0.145 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923607792 658348472 /nfs/dbraw/zinc/34/84/72/658348472.db2.gz HFVJGRQJDHXJMY-GFCCVEGCSA-N 2 1 290.433 -0.400 20 0 CBADMP O=S(=O)(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[NH2+]CC1 ZINC000923607974 658348593 /nfs/dbraw/zinc/34/85/93/658348593.db2.gz FXNVGDLOVMWUTG-GFCCVEGCSA-N 2 1 288.417 -0.790 20 0 CBADMP C[N@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923610711 658349172 /nfs/dbraw/zinc/34/91/72/658349172.db2.gz WAXRGBJHAAGKMS-NWDGAFQWSA-N 2 1 273.402 -0.153 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923607793 658350118 /nfs/dbraw/zinc/35/01/18/658350118.db2.gz HFVJGRQJDHXJMY-LBPRGKRZSA-N 2 1 290.433 -0.400 20 0 CBADMP O=S(=O)(N1CC[NH2+]CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923647539 658373976 /nfs/dbraw/zinc/37/39/76/658373976.db2.gz ZQBMFOJSRAPIPI-GFCCVEGCSA-N 2 1 288.417 -0.788 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924576986 658613209 /nfs/dbraw/zinc/61/32/09/658613209.db2.gz CVENZYLKGYKUHK-NWDGAFQWSA-N 2 1 298.387 -0.421 20 0 CBADMP COCC[N@@H+](C)CCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924567249 658614580 /nfs/dbraw/zinc/61/45/80/658614580.db2.gz KJCQDFKPQJCMIM-JTQLQIEISA-N 2 1 272.349 -0.953 20 0 CBADMP C[C@@H]1C[C@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)CC[N@H+]1C ZINC000924628507 658624900 /nfs/dbraw/zinc/62/49/00/658624900.db2.gz JPCFTXMBLWUVCS-GMTAPVOTSA-N 2 1 268.361 -0.049 20 0 CBADMP O=C(NC[C@H]1C[N@@H+](CCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958592463 658669574 /nfs/dbraw/zinc/66/95/74/658669574.db2.gz QBBUSIMDUHYIEI-NWDGAFQWSA-N 2 1 285.363 -0.539 20 0 CBADMP O=C(NC[C@H]1C[N@H+](CCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958592463 658669586 /nfs/dbraw/zinc/66/95/86/658669586.db2.gz QBBUSIMDUHYIEI-NWDGAFQWSA-N 2 1 285.363 -0.539 20 0 CBADMP O=C(NC[C@@H]1C[N@@H+](CCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958592462 658670924 /nfs/dbraw/zinc/67/09/24/658670924.db2.gz QBBUSIMDUHYIEI-NEPJUHHUSA-N 2 1 285.363 -0.539 20 0 CBADMP O=C(NC[C@@H]1C[N@H+](CCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958592462 658670939 /nfs/dbraw/zinc/67/09/39/658670939.db2.gz QBBUSIMDUHYIEI-NEPJUHHUSA-N 2 1 285.363 -0.539 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000924998538 658719673 /nfs/dbraw/zinc/71/96/73/658719673.db2.gz IQHAENKXYAAGJU-UHFFFAOYSA-N 2 1 287.404 -0.615 20 0 CBADMP C[NH+](C)Cc1ccc(C(=O)NCC[N@@H+](C)CCO)cn1 ZINC000925000392 658725255 /nfs/dbraw/zinc/72/52/55/658725255.db2.gz QWOMLYGYNVTHRR-UHFFFAOYSA-N 2 1 280.372 -0.203 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000925332153 658828245 /nfs/dbraw/zinc/82/82/45/658828245.db2.gz NJTJCBQGLZOGKU-NQBHXWOUSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000925332153 658828251 /nfs/dbraw/zinc/82/82/51/658828251.db2.gz NJTJCBQGLZOGKU-NQBHXWOUSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000925332153 658828255 /nfs/dbraw/zinc/82/82/55/658828255.db2.gz NJTJCBQGLZOGKU-NQBHXWOUSA-N 2 1 270.377 -0.555 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000925331431 658828412 /nfs/dbraw/zinc/82/84/12/658828412.db2.gz JNYFYEIYXHHBIL-VXGBXAGGSA-N 2 1 272.393 -0.308 20 0 CBADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925331431 658828414 /nfs/dbraw/zinc/82/84/14/658828414.db2.gz JNYFYEIYXHHBIL-VXGBXAGGSA-N 2 1 272.393 -0.308 20 0 CBADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000925331431 658828415 /nfs/dbraw/zinc/82/84/15/658828415.db2.gz JNYFYEIYXHHBIL-VXGBXAGGSA-N 2 1 272.393 -0.308 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961666982 658830732 /nfs/dbraw/zinc/83/07/32/658830732.db2.gz YNFHLQHAZSJUOQ-SCUASFONSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000925346775 658832448 /nfs/dbraw/zinc/83/24/48/658832448.db2.gz VTQBGVDFIAZQQN-UTUOFQBUSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000925346775 658832453 /nfs/dbraw/zinc/83/24/53/658832453.db2.gz VTQBGVDFIAZQQN-UTUOFQBUSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000925346775 658832457 /nfs/dbraw/zinc/83/24/57/658832457.db2.gz VTQBGVDFIAZQQN-UTUOFQBUSA-N 2 1 270.377 -0.555 20 0 CBADMP C[NH+](C)C[C@@H]1NC(=O)N(CC[N@H+]2CCCOCC2)C1=O ZINC000925349819 658834283 /nfs/dbraw/zinc/83/42/83/658834283.db2.gz RHJKAFOUFQXUAT-NSHDSACASA-N 2 1 284.360 -0.809 20 0 CBADMP CCC[N@H+]1CC[C@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925359974 658834949 /nfs/dbraw/zinc/83/49/49/658834949.db2.gz SEKMPUDZZPJCPC-WDEREUQCSA-N 2 1 268.361 -0.047 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[C@@H](O)C[NH+]2C)CC[N@H+]1C ZINC000925357655 658835039 /nfs/dbraw/zinc/83/50/39/658835039.db2.gz WYNRNWIAUNISPY-DDHJBXDOSA-N 2 1 270.377 -0.557 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2C)CC[NH+]1C ZINC000925357655 658835043 /nfs/dbraw/zinc/83/50/43/658835043.db2.gz WYNRNWIAUNISPY-DDHJBXDOSA-N 2 1 270.377 -0.557 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2C)CC[NH+]1C ZINC000925357655 658835047 /nfs/dbraw/zinc/83/50/47/658835047.db2.gz WYNRNWIAUNISPY-DDHJBXDOSA-N 2 1 270.377 -0.557 20 0 CBADMP CCC[N@H+]1CC[C@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925359972 658835347 /nfs/dbraw/zinc/83/53/47/658835347.db2.gz SEKMPUDZZPJCPC-QWRGUYRKSA-N 2 1 268.361 -0.047 20 0 CBADMP C[N@@H+](CCO)C1CCN(C(=O)NC[C@H]2CC[NH+]2C)CC1 ZINC000925414686 658841308 /nfs/dbraw/zinc/84/13/08/658841308.db2.gz AZIGKNINCHHEFH-CYBMUJFWSA-N 2 1 284.404 -0.211 20 0 CBADMP C[NH+](CCO)C1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000925414686 658841312 /nfs/dbraw/zinc/84/13/12/658841312.db2.gz AZIGKNINCHHEFH-CYBMUJFWSA-N 2 1 284.404 -0.211 20 0 CBADMP C[NH+](CCO)C1CCN(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000925414686 658841314 /nfs/dbraw/zinc/84/13/14/658841314.db2.gz AZIGKNINCHHEFH-CYBMUJFWSA-N 2 1 284.404 -0.211 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000925424155 658845568 /nfs/dbraw/zinc/84/55/68/658845568.db2.gz KUPCNEAXACTCND-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000925424155 658845571 /nfs/dbraw/zinc/84/55/71/658845571.db2.gz KUPCNEAXACTCND-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000925424155 658845575 /nfs/dbraw/zinc/84/55/75/658845575.db2.gz KUPCNEAXACTCND-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000925429625 658849543 /nfs/dbraw/zinc/84/95/43/658849543.db2.gz PAKGPLYFHYWQJY-MNOVXSKESA-N 2 1 256.350 -0.944 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000925429625 658849545 /nfs/dbraw/zinc/84/95/45/658849545.db2.gz PAKGPLYFHYWQJY-MNOVXSKESA-N 2 1 256.350 -0.944 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000925429625 658849547 /nfs/dbraw/zinc/84/95/47/658849547.db2.gz PAKGPLYFHYWQJY-MNOVXSKESA-N 2 1 256.350 -0.944 20 0 CBADMP CCO[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C)C[NH+](C)C ZINC000925431139 658851586 /nfs/dbraw/zinc/85/15/86/658851586.db2.gz COOHIFXVRCSFSA-VXGBXAGGSA-N 2 1 272.393 -0.044 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[C@@H](O)C[NH+]1C ZINC000925431192 658851662 /nfs/dbraw/zinc/85/16/62/658851662.db2.gz FAYBYFBCEBHNER-OUAUKWLOSA-N 2 1 256.350 -0.945 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C ZINC000925431192 658851664 /nfs/dbraw/zinc/85/16/64/658851664.db2.gz FAYBYFBCEBHNER-OUAUKWLOSA-N 2 1 256.350 -0.945 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C ZINC000925431192 658851666 /nfs/dbraw/zinc/85/16/66/658851666.db2.gz FAYBYFBCEBHNER-OUAUKWLOSA-N 2 1 256.350 -0.945 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000925434645 658852892 /nfs/dbraw/zinc/85/28/92/658852892.db2.gz LPGZCDCYQACACA-UONOGXRCSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000925434645 658852896 /nfs/dbraw/zinc/85/28/96/658852896.db2.gz LPGZCDCYQACACA-UONOGXRCSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000925434645 658852900 /nfs/dbraw/zinc/85/29/00/658852900.db2.gz LPGZCDCYQACACA-UONOGXRCSA-N 2 1 296.415 -0.069 20 0 CBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925434441 658852969 /nfs/dbraw/zinc/85/29/69/658852969.db2.gz KLCFTAVVWJIVSR-GFCCVEGCSA-N 2 1 299.419 -0.648 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000925432908 658853773 /nfs/dbraw/zinc/85/37/73/658853773.db2.gz ZQUHTRIPAJKTFQ-RYUDHWBXSA-N 2 1 284.404 -0.165 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000925432908 658853776 /nfs/dbraw/zinc/85/37/76/658853776.db2.gz ZQUHTRIPAJKTFQ-RYUDHWBXSA-N 2 1 284.404 -0.165 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000925432908 658853778 /nfs/dbraw/zinc/85/37/78/658853778.db2.gz ZQUHTRIPAJKTFQ-RYUDHWBXSA-N 2 1 284.404 -0.165 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925477738 658855274 /nfs/dbraw/zinc/85/52/74/658855274.db2.gz LTEGOIMFODSLIJ-QWHCGFSZSA-N 2 1 257.378 -0.325 20 0 CBADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCCS(C)(=O)=O ZINC000925465509 658855571 /nfs/dbraw/zinc/85/55/71/658855571.db2.gz IEDHLGWUDMUXJO-FUNVUKJBSA-N 2 1 290.429 -0.023 20 0 CBADMP C[NH+]1CCN(C(=O)CN[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925618214 658862078 /nfs/dbraw/zinc/86/20/78/658862078.db2.gz UWZXVYQQJJOAIH-NSHDSACASA-N 2 1 254.378 -0.510 20 0 CBADMP CN1CCN(C(=O)C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925619009 658863652 /nfs/dbraw/zinc/86/36/52/658863652.db2.gz ZHXXBWXJPPHAFC-RYUDHWBXSA-N 2 1 266.389 -0.380 20 0 CBADMP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)Cn1ccnn1 ZINC000925686783 658865403 /nfs/dbraw/zinc/86/54/03/658865403.db2.gz WHKHJICGCBDABY-VXGBXAGGSA-N 2 1 265.361 -0.097 20 0 CBADMP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)Cn1ccnn1 ZINC000925685796 658866070 /nfs/dbraw/zinc/86/60/70/658866070.db2.gz NIOICCNUUHETON-GHMZBOCLSA-N 2 1 251.334 -0.487 20 0 CBADMP O=C1NCCN1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000925776761 658870982 /nfs/dbraw/zinc/87/09/82/658870982.db2.gz IVQXQOGIRNWSEB-YNEHKIRRSA-N 2 1 282.388 -0.242 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000926445236 658901995 /nfs/dbraw/zinc/90/19/95/658901995.db2.gz WNYOBPOOVDSNLO-ZDUSSCGKSA-N 2 1 298.431 -0.018 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000926445236 658901999 /nfs/dbraw/zinc/90/19/99/658901999.db2.gz WNYOBPOOVDSNLO-ZDUSSCGKSA-N 2 1 298.431 -0.018 20 0 CBADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969403924 658989151 /nfs/dbraw/zinc/98/91/51/658989151.db2.gz SXJUKSJWEBWJKN-DNCHLWJUSA-N 2 1 295.383 -0.968 20 0 CBADMP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000969595261 659007899 /nfs/dbraw/zinc/00/78/99/659007899.db2.gz TYDZYZJKZFYOFZ-IJLUTSLNSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CCO)C1 ZINC000969700957 659010845 /nfs/dbraw/zinc/01/08/45/659010845.db2.gz RVIVAYQBOMLECZ-DMDPSCGWSA-N 2 1 269.389 -0.245 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)CC2 ZINC000969739112 659012548 /nfs/dbraw/zinc/01/25/48/659012548.db2.gz BSVRHDIUFKUAAK-CHWSQXEVSA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)C2 ZINC000969962992 659025868 /nfs/dbraw/zinc/02/58/68/659025868.db2.gz QOQCHOJSRYTBSV-QWHCGFSZSA-N 2 1 292.383 -0.063 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)CCCC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928564787 659045145 /nfs/dbraw/zinc/04/51/45/659045145.db2.gz ZARBUJJQWXWYDA-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000928571555 659048851 /nfs/dbraw/zinc/04/88/51/659048851.db2.gz OXEKVFNJOJZIOV-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000928571555 659048861 /nfs/dbraw/zinc/04/88/61/659048861.db2.gz OXEKVFNJOJZIOV-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000928571555 659048871 /nfs/dbraw/zinc/04/88/71/659048871.db2.gz OXEKVFNJOJZIOV-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970747283 659069949 /nfs/dbraw/zinc/06/99/49/659069949.db2.gz UWQXIWHGQRUUIQ-QWRGUYRKSA-N 2 1 294.399 -0.608 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000929089534 659088340 /nfs/dbraw/zinc/08/83/40/659088340.db2.gz FAZIXQSIOUCGLU-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000929089534 659088347 /nfs/dbraw/zinc/08/83/47/659088347.db2.gz FAZIXQSIOUCGLU-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CCC[C@H](O)C1)[NH+]1CCC[C@@H](O)C1 ZINC000929215749 659101351 /nfs/dbraw/zinc/10/13/51/659101351.db2.gz RXOGTFAMVCKZHO-HZSPNIEDSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CCC[C@H](O)C1)[NH+]1CCC[C@@H](O)C1 ZINC000929215749 659101367 /nfs/dbraw/zinc/10/13/67/659101367.db2.gz RXOGTFAMVCKZHO-HZSPNIEDSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCC[C@H](O)C1)[N@@H+]1CCC[C@@H](O)C1 ZINC000929215749 659101374 /nfs/dbraw/zinc/10/13/74/659101374.db2.gz RXOGTFAMVCKZHO-HZSPNIEDSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCC[C@H](O)C1)[N@H+]1CCC[C@@H](O)C1 ZINC000929215749 659101383 /nfs/dbraw/zinc/10/13/83/659101383.db2.gz RXOGTFAMVCKZHO-HZSPNIEDSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000929287924 659112490 /nfs/dbraw/zinc/11/24/90/659112490.db2.gz QFFZNVCLQZOBJE-CYBMUJFWSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000929287924 659112498 /nfs/dbraw/zinc/11/24/98/659112498.db2.gz QFFZNVCLQZOBJE-CYBMUJFWSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000929401441 659122248 /nfs/dbraw/zinc/12/22/48/659122248.db2.gz KCAWVTHNNUHAKY-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000929401441 659122261 /nfs/dbraw/zinc/12/22/61/659122261.db2.gz KCAWVTHNNUHAKY-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000929401441 659122265 /nfs/dbraw/zinc/12/22/65/659122265.db2.gz KCAWVTHNNUHAKY-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000929401441 659122266 /nfs/dbraw/zinc/12/22/66/659122266.db2.gz KCAWVTHNNUHAKY-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000929401438 659122726 /nfs/dbraw/zinc/12/27/26/659122726.db2.gz KCAWVTHNNUHAKY-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000929401438 659122730 /nfs/dbraw/zinc/12/27/30/659122730.db2.gz KCAWVTHNNUHAKY-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000929401438 659122733 /nfs/dbraw/zinc/12/27/33/659122733.db2.gz KCAWVTHNNUHAKY-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000929401438 659122741 /nfs/dbraw/zinc/12/27/41/659122741.db2.gz KCAWVTHNNUHAKY-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H](O)CO ZINC000930059410 659201545 /nfs/dbraw/zinc/20/15/45/659201545.db2.gz CLHGNRTZPAETPE-YVECIDJPSA-N 2 1 258.362 -0.477 20 0 CBADMP C[C@H](O)[C@H](O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000930059455 659201578 /nfs/dbraw/zinc/20/15/78/659201578.db2.gz DDETZOQXGHUMND-QSLWVIQJSA-N 2 1 272.389 -0.088 20 0 CBADMP C[C@H](O)[C@H](O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000930113120 659210556 /nfs/dbraw/zinc/21/05/56/659210556.db2.gz CNIJVIFUTJCZCA-GXTWGEPZSA-N 2 1 273.421 -0.314 20 0 CBADMP O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC000978201597 659213253 /nfs/dbraw/zinc/21/32/53/659213253.db2.gz SJQTYNFABRTSLF-ZQDZILKHSA-N 2 1 293.411 -0.386 20 0 CBADMP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)CO)CC1 ZINC000930297901 659250617 /nfs/dbraw/zinc/25/06/17/659250617.db2.gz VHXQJJKJWUHQLK-NSHDSACASA-N 2 1 267.329 -0.435 20 0 CBADMP C[C@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980833821 659294123 /nfs/dbraw/zinc/29/41/23/659294123.db2.gz KVVFMBNMPVGQNN-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000980833821 659294138 /nfs/dbraw/zinc/29/41/38/659294138.db2.gz KVVFMBNMPVGQNN-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000980833821 659294154 /nfs/dbraw/zinc/29/41/54/659294154.db2.gz KVVFMBNMPVGQNN-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)C[N@@H+]1C1CC1 ZINC000930480146 659295185 /nfs/dbraw/zinc/29/51/85/659295185.db2.gz PNPYMCCNFKHSKN-NTZNESFSSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)C[N@H+]1C1CC1 ZINC000930480146 659295191 /nfs/dbraw/zinc/29/51/91/659295191.db2.gz PNPYMCCNFKHSKN-NTZNESFSSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C[NH+]1C1CC1 ZINC000930480146 659295195 /nfs/dbraw/zinc/29/51/95/659295195.db2.gz PNPYMCCNFKHSKN-NTZNESFSSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)C[NH+]1C1CC1 ZINC000930480146 659295200 /nfs/dbraw/zinc/29/52/00/659295200.db2.gz PNPYMCCNFKHSKN-NTZNESFSSA-N 2 1 294.399 -0.452 20 0 CBADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[N@H+](CCO)CC1 ZINC000981169502 659309888 /nfs/dbraw/zinc/30/98/88/659309888.db2.gz ZTEHYAMDGJINLL-CQSZACIVSA-N 2 1 281.400 -0.145 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000981229191 659310236 /nfs/dbraw/zinc/31/02/36/659310236.db2.gz TWHWLLPVJUAAEU-VXGBXAGGSA-N 2 1 293.371 -0.306 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000981229189 659310890 /nfs/dbraw/zinc/31/08/90/659310890.db2.gz TWHWLLPVJUAAEU-NWDGAFQWSA-N 2 1 293.371 -0.306 20 0 CBADMP CNC(=O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000930748674 659335623 /nfs/dbraw/zinc/33/56/23/659335623.db2.gz ZCWWIHVUNMUGLN-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC[NH+](CCO)CC1 ZINC000981958588 659336363 /nfs/dbraw/zinc/33/63/63/659336363.db2.gz GAUHXXOVIJLLNY-STQMWFEESA-N 2 1 269.389 -0.289 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC[N@H+](CCO)CC1 ZINC000981958588 659336365 /nfs/dbraw/zinc/33/63/65/659336365.db2.gz GAUHXXOVIJLLNY-STQMWFEESA-N 2 1 269.389 -0.289 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC[N@@H+](CCO)CC1 ZINC000981958588 659336372 /nfs/dbraw/zinc/33/63/72/659336372.db2.gz GAUHXXOVIJLLNY-STQMWFEESA-N 2 1 269.389 -0.289 20 0 CBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000930756040 659338042 /nfs/dbraw/zinc/33/80/42/659338042.db2.gz PFBNWJJPGVHZHJ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000930756040 659338046 /nfs/dbraw/zinc/33/80/46/659338046.db2.gz PFBNWJJPGVHZHJ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@@H+](CC(N)=O)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985327975 659380230 /nfs/dbraw/zinc/38/02/30/659380230.db2.gz OXWANYYPBVQJTN-GFCCVEGCSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000985327975 659380236 /nfs/dbraw/zinc/38/02/36/659380236.db2.gz OXWANYYPBVQJTN-GFCCVEGCSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000985327975 659380244 /nfs/dbraw/zinc/38/02/44/659380244.db2.gz OXWANYYPBVQJTN-GFCCVEGCSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@@H+](CC(N)=O)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000985751533 659398381 /nfs/dbraw/zinc/39/83/81/659398381.db2.gz NUHRSNSITNUNSO-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000985751533 659398386 /nfs/dbraw/zinc/39/83/86/659398386.db2.gz NUHRSNSITNUNSO-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985751533 659398394 /nfs/dbraw/zinc/39/83/94/659398394.db2.gz NUHRSNSITNUNSO-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000985794258 659402074 /nfs/dbraw/zinc/40/20/74/659402074.db2.gz ZROWHIOJNKJPAK-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000985794258 659402095 /nfs/dbraw/zinc/40/20/95/659402095.db2.gz ZROWHIOJNKJPAK-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985794258 659402110 /nfs/dbraw/zinc/40/21/10/659402110.db2.gz ZROWHIOJNKJPAK-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931870870 659531720 /nfs/dbraw/zinc/53/17/20/659531720.db2.gz SDJPOQOQFOTFOT-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931870870 659531736 /nfs/dbraw/zinc/53/17/36/659531736.db2.gz SDJPOQOQFOTFOT-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931877108 659538866 /nfs/dbraw/zinc/53/88/66/659538866.db2.gz FQQMKHRNOGCOFM-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931877108 659538871 /nfs/dbraw/zinc/53/88/71/659538871.db2.gz FQQMKHRNOGCOFM-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931877108 659538875 /nfs/dbraw/zinc/53/88/75/659538875.db2.gz FQQMKHRNOGCOFM-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931877108 659538881 /nfs/dbraw/zinc/53/88/81/659538881.db2.gz FQQMKHRNOGCOFM-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931878689 659539736 /nfs/dbraw/zinc/53/97/36/659539736.db2.gz JZZAMBBKQIIDOB-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931878689 659539731 /nfs/dbraw/zinc/53/97/31/659539731.db2.gz JZZAMBBKQIIDOB-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931878689 659539739 /nfs/dbraw/zinc/53/97/39/659539739.db2.gz JZZAMBBKQIIDOB-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931878689 659539744 /nfs/dbraw/zinc/53/97/44/659539744.db2.gz JZZAMBBKQIIDOB-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931880134 659542330 /nfs/dbraw/zinc/54/23/30/659542330.db2.gz UETYBZJVXKSGTB-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931880134 659542333 /nfs/dbraw/zinc/54/23/33/659542333.db2.gz UETYBZJVXKSGTB-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931882067 659544148 /nfs/dbraw/zinc/54/41/48/659544148.db2.gz ZEDWCJXHCRNDKM-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931882067 659544155 /nfs/dbraw/zinc/54/41/55/659544155.db2.gz ZEDWCJXHCRNDKM-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931882067 659544163 /nfs/dbraw/zinc/54/41/63/659544163.db2.gz ZEDWCJXHCRNDKM-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931882067 659544169 /nfs/dbraw/zinc/54/41/69/659544169.db2.gz ZEDWCJXHCRNDKM-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CCN1C)[C@H]1CC[N@@H+](C)C1 ZINC000931884066 659548019 /nfs/dbraw/zinc/54/80/19/659548019.db2.gz DPMFHVLEOBRETM-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@H]1CC[N@@H+](C)C1 ZINC000931884066 659548037 /nfs/dbraw/zinc/54/80/37/659548037.db2.gz DPMFHVLEOBRETM-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000931884066 659548050 /nfs/dbraw/zinc/54/80/50/659548050.db2.gz DPMFHVLEOBRETM-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000931884066 659548064 /nfs/dbraw/zinc/54/80/64/659548064.db2.gz DPMFHVLEOBRETM-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931886748 659552528 /nfs/dbraw/zinc/55/25/28/659552528.db2.gz PNMUEKGJPSESFU-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931886748 659552540 /nfs/dbraw/zinc/55/25/40/659552540.db2.gz PNMUEKGJPSESFU-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931886748 659552543 /nfs/dbraw/zinc/55/25/43/659552543.db2.gz PNMUEKGJPSESFU-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931886748 659552545 /nfs/dbraw/zinc/55/25/45/659552545.db2.gz PNMUEKGJPSESFU-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000931887893 659555602 /nfs/dbraw/zinc/55/56/02/659555602.db2.gz ZCYSUYGITCIJEY-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000931887893 659555605 /nfs/dbraw/zinc/55/56/05/659555605.db2.gz ZCYSUYGITCIJEY-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000931887893 659555609 /nfs/dbraw/zinc/55/56/09/659555609.db2.gz ZCYSUYGITCIJEY-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000931887893 659555613 /nfs/dbraw/zinc/55/56/13/659555613.db2.gz ZCYSUYGITCIJEY-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000989079835 659570028 /nfs/dbraw/zinc/57/00/28/659570028.db2.gz YBBMBUZHXYTTEH-MNOVXSKESA-N 2 1 296.371 -0.079 20 0 CBADMP O=C(N1CCC[N@H+](CCCO)CC1)C12CC[NH+](CC1)C2 ZINC000989492387 659589929 /nfs/dbraw/zinc/58/99/29/659589929.db2.gz LGZLQRBRISAGKI-UHFFFAOYSA-N 2 1 281.400 -0.001 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)CC[NH+]1CCOCC1 ZINC000989557751 659594035 /nfs/dbraw/zinc/59/40/35/659594035.db2.gz JBFQJHOYWOLCMK-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989665632 659606048 /nfs/dbraw/zinc/60/60/48/659606048.db2.gz ILCNBRMEGYZNMT-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989665632 659606050 /nfs/dbraw/zinc/60/60/50/659606050.db2.gz ILCNBRMEGYZNMT-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989665632 659606052 /nfs/dbraw/zinc/60/60/52/659606052.db2.gz ILCNBRMEGYZNMT-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989665632 659606054 /nfs/dbraw/zinc/60/60/54/659606054.db2.gz ILCNBRMEGYZNMT-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932947709 659643266 /nfs/dbraw/zinc/64/32/66/659643266.db2.gz ORKHLZMDSZZPFI-NSHDSACASA-N 2 1 286.401 -0.037 20 0 CBADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932947709 659643270 /nfs/dbraw/zinc/64/32/70/659643270.db2.gz ORKHLZMDSZZPFI-NSHDSACASA-N 2 1 286.401 -0.037 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732789 659735748 /nfs/dbraw/zinc/73/57/48/659735748.db2.gz BQGCKGWLLNNLJX-RRFJBIMHSA-N 2 1 285.432 -0.191 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732789 659735753 /nfs/dbraw/zinc/73/57/53/659735753.db2.gz BQGCKGWLLNNLJX-RRFJBIMHSA-N 2 1 285.432 -0.191 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732789 659735757 /nfs/dbraw/zinc/73/57/57/659735757.db2.gz BQGCKGWLLNNLJX-RRFJBIMHSA-N 2 1 285.432 -0.191 20 0 CBADMP CC[N@H+](CCC(=O)NC)C[C@H](O)C[NH+]1CCCC1 ZINC000933868185 659744447 /nfs/dbraw/zinc/74/44/47/659744447.db2.gz WPJUBRJDFZQJQY-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[N@@H+](CCC(=O)NC)C[C@H](O)C[NH+]1CCCC1 ZINC000933868185 659744453 /nfs/dbraw/zinc/74/44/53/659744453.db2.gz WPJUBRJDFZQJQY-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1)[NH+](C)C ZINC000990507916 659753639 /nfs/dbraw/zinc/75/36/39/659753639.db2.gz IHYYEFNULGQBOO-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000990569043 659760421 /nfs/dbraw/zinc/76/04/21/659760421.db2.gz DJLXUBGDUMKBKE-DGCLKSJQSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000990569043 659760438 /nfs/dbraw/zinc/76/04/38/659760438.db2.gz DJLXUBGDUMKBKE-DGCLKSJQSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000990569045 659761647 /nfs/dbraw/zinc/76/16/47/659761647.db2.gz DJLXUBGDUMKBKE-YPMHNXCESA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000990569045 659761652 /nfs/dbraw/zinc/76/16/52/659761652.db2.gz DJLXUBGDUMKBKE-YPMHNXCESA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)CC[N@H+]1C ZINC000995836027 659910257 /nfs/dbraw/zinc/91/02/57/659910257.db2.gz YZIYJIGRAKDACN-IJLUTSLNSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944533 659938755 /nfs/dbraw/zinc/93/87/55/659938755.db2.gz NANAKMZPWYXGSF-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)Cn2ccnc2)CC[N@@H+]1CC(N)=O ZINC000948089292 659965769 /nfs/dbraw/zinc/96/57/69/659965769.db2.gz BUJWBNNHYXSZHI-MNOVXSKESA-N 2 1 279.344 -0.663 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)Cn2ccnc2)CC[N@H+]1CC(N)=O ZINC000948089292 659965771 /nfs/dbraw/zinc/96/57/71/659965771.db2.gz BUJWBNNHYXSZHI-MNOVXSKESA-N 2 1 279.344 -0.663 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)Cn2ccnc2)CC[N@@H+]1CC(N)=O ZINC000948089291 659965944 /nfs/dbraw/zinc/96/59/44/659965944.db2.gz BUJWBNNHYXSZHI-GHMZBOCLSA-N 2 1 279.344 -0.663 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)Cn2ccnc2)CC[N@H+]1CC(N)=O ZINC000948089291 659965946 /nfs/dbraw/zinc/96/59/46/659965946.db2.gz BUJWBNNHYXSZHI-GHMZBOCLSA-N 2 1 279.344 -0.663 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000950509025 659992623 /nfs/dbraw/zinc/99/26/23/659992623.db2.gz BDTJTHNFAPLGRG-OLZOCXBDSA-N 2 1 269.389 -0.289 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000950509025 659992624 /nfs/dbraw/zinc/99/26/24/659992624.db2.gz BDTJTHNFAPLGRG-OLZOCXBDSA-N 2 1 269.389 -0.289 20 0 CBADMP C[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3C[NH2+]C4)C[C@@H]21 ZINC001164669709 719384027 /nfs/dbraw/zinc/38/40/27/719384027.db2.gz UYZLGKBIMFHYAW-NWDGAFQWSA-N 2 1 261.329 -0.401 20 0 CBADMP C[N@H+]1CCO[C@@H]2CN(c3ncnc4c3C[NH2+]C4)C[C@@H]21 ZINC001164669709 719384029 /nfs/dbraw/zinc/38/40/29/719384029.db2.gz UYZLGKBIMFHYAW-NWDGAFQWSA-N 2 1 261.329 -0.401 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467792 805578695 /nfs/dbraw/zinc/57/86/95/805578695.db2.gz SMGNLJKEYHGGLD-MELADBBJSA-N 2 1 293.411 -0.004 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001076569009 805581318 /nfs/dbraw/zinc/58/13/18/805581318.db2.gz GPFSUCSLKSZNIJ-RWMBFGLXSA-N 2 1 267.373 -0.537 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001076569009 805581325 /nfs/dbraw/zinc/58/13/25/805581325.db2.gz GPFSUCSLKSZNIJ-RWMBFGLXSA-N 2 1 267.373 -0.537 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001076569009 805581331 /nfs/dbraw/zinc/58/13/31/805581331.db2.gz GPFSUCSLKSZNIJ-RWMBFGLXSA-N 2 1 267.373 -0.537 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@H]2O)C1 ZINC001076838686 805637273 /nfs/dbraw/zinc/63/72/73/805637273.db2.gz IOZXPBRCDRRWMG-MGPQQGTHSA-N 2 1 297.399 -0.722 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@H]2O)C1 ZINC001076838686 805637275 /nfs/dbraw/zinc/63/72/75/805637275.db2.gz IOZXPBRCDRRWMG-MGPQQGTHSA-N 2 1 297.399 -0.722 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCC3)C[C@H]2O)C1 ZINC001076838686 805637280 /nfs/dbraw/zinc/63/72/80/805637280.db2.gz IOZXPBRCDRRWMG-MGPQQGTHSA-N 2 1 297.399 -0.722 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2O)C1 ZINC001076838686 805637282 /nfs/dbraw/zinc/63/72/82/805637282.db2.gz IOZXPBRCDRRWMG-MGPQQGTHSA-N 2 1 297.399 -0.722 20 0 CBADMP O=C(NC[C@H]1CCC[N@H+](CCO)C1)[C@H]1CCC[NH2+]1 ZINC000135409894 790392874 /nfs/dbraw/zinc/39/28/74/790392874.db2.gz MJUPGOUCSKPQAS-VXGBXAGGSA-N 2 1 255.362 -0.441 20 0 CBADMP COCCOC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000234896459 790443063 /nfs/dbraw/zinc/44/30/63/790443063.db2.gz MIGZNUYOKIFLRS-QWHCGFSZSA-N 2 1 260.378 -0.058 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000234879777 790444295 /nfs/dbraw/zinc/44/42/95/790444295.db2.gz JWDYJDHLHQMLLI-FRRDWIJNSA-N 2 1 260.378 -0.073 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@@H](C)COC)C1 ZINC000300262165 790468199 /nfs/dbraw/zinc/46/81/99/790468199.db2.gz PYQXYJCIXCGKPW-AVGNSLFASA-N 2 1 260.378 -0.060 20 0 CBADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000381001089 790516801 /nfs/dbraw/zinc/51/68/01/790516801.db2.gz LBRHXEBMBMITPP-LSDHHAIUSA-N 3 1 282.432 -0.577 20 0 CBADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000381001089 790516808 /nfs/dbraw/zinc/51/68/08/790516808.db2.gz LBRHXEBMBMITPP-LSDHHAIUSA-N 3 1 282.432 -0.577 20 0 CBADMP O[C@H](CN1CCCC1)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000381001089 790516815 /nfs/dbraw/zinc/51/68/15/790516815.db2.gz LBRHXEBMBMITPP-LSDHHAIUSA-N 2 1 282.432 -0.577 20 0 CBADMP O[C@H](CN1CCCC1)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000381001089 790516821 /nfs/dbraw/zinc/51/68/21/790516821.db2.gz LBRHXEBMBMITPP-LSDHHAIUSA-N 2 1 282.432 -0.577 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC1(O)CCOCC1 ZINC000381571001 790521896 /nfs/dbraw/zinc/52/18/96/790521896.db2.gz GOFWIBVIJLHFQI-CYBMUJFWSA-N 2 1 272.389 -0.084 20 0 CBADMP C[NH+](C)[C@@H]1[C@H]2CN(C[C@@H](O)C[N@@H+](C)C3CC3)C[C@H]21 ZINC000385234185 790540271 /nfs/dbraw/zinc/54/02/71/790540271.db2.gz UPIJYVFRPDLTII-IGQOVBAYSA-N 2 1 253.390 -0.067 20 0 CBADMP C[NH+](C)[C@@H]1[C@H]2CN(C[C@H](O)C[N@@H+](C)C3CC3)C[C@H]21 ZINC000385234192 790541140 /nfs/dbraw/zinc/54/11/40/790541140.db2.gz UPIJYVFRPDLTII-MQYQWHSLSA-N 2 1 253.390 -0.067 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000386169635 790544115 /nfs/dbraw/zinc/54/41/15/790544115.db2.gz CXEPAYXEZHTMIF-ZIAGYGMSSA-N 2 1 298.431 -0.770 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000386169635 790544123 /nfs/dbraw/zinc/54/41/23/790544123.db2.gz CXEPAYXEZHTMIF-ZIAGYGMSSA-N 2 1 298.431 -0.770 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)CN2CCCC2)C1 ZINC000386169635 790544134 /nfs/dbraw/zinc/54/41/34/790544134.db2.gz CXEPAYXEZHTMIF-ZIAGYGMSSA-N 2 1 298.431 -0.770 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2)C1 ZINC000386169635 790544145 /nfs/dbraw/zinc/54/41/45/790544145.db2.gz CXEPAYXEZHTMIF-ZIAGYGMSSA-N 2 1 298.431 -0.770 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000386291128 790544402 /nfs/dbraw/zinc/54/44/02/790544402.db2.gz CVHHIKKKVWUEOM-CHWSQXEVSA-N 2 1 259.394 -0.405 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000386169632 790544983 /nfs/dbraw/zinc/54/49/83/790544983.db2.gz CXEPAYXEZHTMIF-UONOGXRCSA-N 2 1 298.431 -0.770 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000386169632 790544989 /nfs/dbraw/zinc/54/49/89/790544989.db2.gz CXEPAYXEZHTMIF-UONOGXRCSA-N 2 1 298.431 -0.770 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)CN2CCCC2)C1 ZINC000386169632 790544994 /nfs/dbraw/zinc/54/49/94/790544994.db2.gz CXEPAYXEZHTMIF-UONOGXRCSA-N 2 1 298.431 -0.770 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2)C1 ZINC000386169632 790545000 /nfs/dbraw/zinc/54/50/00/790545000.db2.gz CXEPAYXEZHTMIF-UONOGXRCSA-N 2 1 298.431 -0.770 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000385937735 790545870 /nfs/dbraw/zinc/54/58/70/790545870.db2.gz LQPSRBZXHKDBLM-FRRDWIJNSA-N 2 1 259.394 -0.392 20 0 CBADMP COC1(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH2+]CC1 ZINC000386056985 790546234 /nfs/dbraw/zinc/54/62/34/790546234.db2.gz GMDSBRVWBGDCRN-STQMWFEESA-N 2 1 297.399 -0.266 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000386343915 790547515 /nfs/dbraw/zinc/54/75/15/790547515.db2.gz LZCINABJRGQPDU-UPJWGTAASA-N 2 1 259.394 -0.392 20 0 CBADMP C[NH2+]C[C@H]1CCCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000388695372 790557361 /nfs/dbraw/zinc/55/73/61/790557361.db2.gz FBXKLOBDWYRPJZ-KGLIPLIRSA-N 2 1 273.421 -0.143 20 0 CBADMP C[NH2+]C[C@H]1CCCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000388696431 790558632 /nfs/dbraw/zinc/55/86/32/790558632.db2.gz FBXKLOBDWYRPJZ-ZIAGYGMSSA-N 2 1 273.421 -0.143 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000389242271 790561220 /nfs/dbraw/zinc/56/12/20/790561220.db2.gz BTAYFZDMKDOORN-HZSPNIEDSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000394133468 790576723 /nfs/dbraw/zinc/57/67/23/790576723.db2.gz OHPSKJUUHDHSKJ-CHWSQXEVSA-N 2 1 259.394 -0.404 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000394133468 790576727 /nfs/dbraw/zinc/57/67/27/790576727.db2.gz OHPSKJUUHDHSKJ-CHWSQXEVSA-N 2 1 259.394 -0.404 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000394133468 790576734 /nfs/dbraw/zinc/57/67/34/790576734.db2.gz OHPSKJUUHDHSKJ-CHWSQXEVSA-N 2 1 259.394 -0.404 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000395491566 790580183 /nfs/dbraw/zinc/58/01/83/790580183.db2.gz YYSLKMDFNFCEBW-AGIUHOORSA-N 2 1 257.378 -0.781 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)C[C@H]2CCOC2)CC1 ZINC000401560830 790607280 /nfs/dbraw/zinc/60/72/80/790607280.db2.gz NJPIWZCHELRFIL-LLVKDONJSA-N 2 1 255.362 -0.048 20 0 CBADMP COC[C@@H](C)OC[C@H](O)C[NH2+]CCc1c[nH+]cn1C ZINC000401710534 790607319 /nfs/dbraw/zinc/60/73/19/790607319.db2.gz HUFTZPYTGWPGGB-DGCLKSJQSA-N 2 1 271.361 -0.035 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402805594 790611307 /nfs/dbraw/zinc/61/13/07/790611307.db2.gz KMHJMUVSNVJBRX-ZNMIVQPWSA-N 3 1 285.432 -0.014 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402805594 790611312 /nfs/dbraw/zinc/61/13/12/790611312.db2.gz KMHJMUVSNVJBRX-ZNMIVQPWSA-N 3 1 285.432 -0.014 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402805594 790611317 /nfs/dbraw/zinc/61/13/17/790611317.db2.gz KMHJMUVSNVJBRX-ZNMIVQPWSA-N 3 1 285.432 -0.014 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)C3C[NH2+]C3)CC[C@H]21 ZINC000405163645 790615466 /nfs/dbraw/zinc/61/54/66/790615466.db2.gz ZYZSPHHFQORBLW-ZYHUDNBSSA-N 2 1 273.402 -0.296 20 0 CBADMP CCO[C@@H]1C[N@@H+](C[C@H](O)CO[C@H](C)COC)C[C@H]1C[NH3+] ZINC000405480992 790618690 /nfs/dbraw/zinc/61/86/90/790618690.db2.gz XHKOIZSKABTHMR-YIYPIFLZSA-N 2 1 290.404 -0.306 20 0 CBADMP C[N@H+](C[C@@H](O)CN1CC[NH+](C)[C@H](CO)C1)C1CC1 ZINC000687589081 790654045 /nfs/dbraw/zinc/65/40/45/790654045.db2.gz HCBUXTVWXCDQLI-QWHCGFSZSA-N 2 1 257.378 -0.950 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CC[NH+](C)[C@H](CO)C1)C1CC1 ZINC000687589081 790654052 /nfs/dbraw/zinc/65/40/52/790654052.db2.gz HCBUXTVWXCDQLI-QWHCGFSZSA-N 2 1 257.378 -0.950 20 0 CBADMP C[NH+](C[C@@H](O)CN1CC[N@H+](C)[C@H](CO)C1)C1CC1 ZINC000687589081 790654055 /nfs/dbraw/zinc/65/40/55/790654055.db2.gz HCBUXTVWXCDQLI-QWHCGFSZSA-N 2 1 257.378 -0.950 20 0 CBADMP C[NH+](C[C@@H](O)CN1CC[N@@H+](C)[C@H](CO)C1)C1CC1 ZINC000687589081 790654063 /nfs/dbraw/zinc/65/40/63/790654063.db2.gz HCBUXTVWXCDQLI-QWHCGFSZSA-N 2 1 257.378 -0.950 20 0 CBADMP COC(=O)N(C)CC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000689548660 790668131 /nfs/dbraw/zinc/66/81/31/790668131.db2.gz WNDRUCUZJWWEOY-LLVKDONJSA-N 2 1 259.350 -0.271 20 0 CBADMP COC(=O)N(C)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000689548660 790668139 /nfs/dbraw/zinc/66/81/39/790668139.db2.gz WNDRUCUZJWWEOY-LLVKDONJSA-N 2 1 259.350 -0.271 20 0 CBADMP COC(=O)N(C)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000689548660 790668143 /nfs/dbraw/zinc/66/81/43/790668143.db2.gz WNDRUCUZJWWEOY-LLVKDONJSA-N 2 1 259.350 -0.271 20 0 CBADMP O=C1CCC(=O)N1CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000692173491 790676019 /nfs/dbraw/zinc/67/60/19/790676019.db2.gz NZEXDZKDFJDRPD-WDEREUQCSA-N 2 1 251.330 -0.323 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000692012306 790676371 /nfs/dbraw/zinc/67/63/71/790676371.db2.gz CCFUKJHJKPLGDP-UTUOFQBUSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@]1(CO)C[C@@H](O)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000698176784 790696255 /nfs/dbraw/zinc/69/62/55/790696255.db2.gz AOCODDUHDWRBCA-JHJVBQTASA-N 2 1 258.362 -0.739 20 0 CBADMP C[C@]1(CO)C[C@@H](O)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000698176784 790696260 /nfs/dbraw/zinc/69/62/60/790696260.db2.gz AOCODDUHDWRBCA-JHJVBQTASA-N 2 1 258.362 -0.739 20 0 CBADMP C[C@H]1CN(C(=O)C[N@H+](C)CCOCC[NH3+])CCO1 ZINC000699191023 790700750 /nfs/dbraw/zinc/70/07/50/790700750.db2.gz ZPBVNDQAPBMMBT-NSHDSACASA-N 2 1 259.350 -0.859 20 0 CBADMP C[C@H]1CN(C(=O)C[N@@H+](C)CCOCC[NH3+])CCO1 ZINC000699191023 790700754 /nfs/dbraw/zinc/70/07/54/790700754.db2.gz ZPBVNDQAPBMMBT-NSHDSACASA-N 2 1 259.350 -0.859 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000705379270 790725240 /nfs/dbraw/zinc/72/52/40/790725240.db2.gz HWVLKVYMKXQQGQ-RWMBFGLXSA-N 2 1 260.378 -0.780 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000705379270 790725251 /nfs/dbraw/zinc/72/52/51/790725251.db2.gz HWVLKVYMKXQQGQ-RWMBFGLXSA-N 2 1 260.378 -0.780 20 0 CBADMP C[N@@H+](C[C@H](O)CNC[C@@]1(O)CC[NH+](C)C1)C1CC1 ZINC000702561635 790721920 /nfs/dbraw/zinc/72/19/20/790721920.db2.gz JHVGNCRZEOECGV-OLZOCXBDSA-N 2 1 257.378 -0.902 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000702561635 790721927 /nfs/dbraw/zinc/72/19/27/790721927.db2.gz JHVGNCRZEOECGV-OLZOCXBDSA-N 2 1 257.378 -0.902 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000702561635 790721937 /nfs/dbraw/zinc/72/19/37/790721937.db2.gz JHVGNCRZEOECGV-OLZOCXBDSA-N 2 1 257.378 -0.902 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@]1(O)CCSC1)C1CC1 ZINC000705308329 790724915 /nfs/dbraw/zinc/72/49/15/790724915.db2.gz ZXDWGDWUZLZBHQ-VXGBXAGGSA-N 2 1 260.403 -0.101 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@]1(O)CCSC1)C1CC1 ZINC000705308329 790724925 /nfs/dbraw/zinc/72/49/25/790724925.db2.gz ZXDWGDWUZLZBHQ-VXGBXAGGSA-N 2 1 260.403 -0.101 20 0 CBADMP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000711246693 790744524 /nfs/dbraw/zinc/74/45/24/790744524.db2.gz AMCKYJJQLPVUTD-CHWSQXEVSA-N 2 1 280.416 -0.262 20 0 CBADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514013 790765712 /nfs/dbraw/zinc/76/57/12/790765712.db2.gz SMMDJDAQNPJWNI-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+](C)CCOCCNC(=O)c1ncoc1C[NH3+] ZINC000721428589 790778140 /nfs/dbraw/zinc/77/81/40/790778140.db2.gz QREGANZCTQVSAK-UHFFFAOYSA-N 2 1 256.306 -0.559 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CN1CC[NH2+]CC1 ZINC000720892979 790772358 /nfs/dbraw/zinc/77/23/58/790772358.db2.gz ABCSAGLBUUDWTH-CHWSQXEVSA-N 2 1 266.389 -0.413 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720830467 790772384 /nfs/dbraw/zinc/77/23/84/790772384.db2.gz MRPJHPCNGZVQAI-YUMQZZPRSA-N 2 1 296.293 -0.099 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720830467 790772391 /nfs/dbraw/zinc/77/23/91/790772391.db2.gz MRPJHPCNGZVQAI-YUMQZZPRSA-N 2 1 296.293 -0.099 20 0 CBADMP COC[C@@H](C)OC[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723844229 790801144 /nfs/dbraw/zinc/80/11/44/790801144.db2.gz LRUFLFYXMKNFLH-LPWJVIDDSA-N 2 1 260.378 -0.075 20 0 CBADMP C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)CCO1 ZINC000723671351 790802148 /nfs/dbraw/zinc/80/21/48/790802148.db2.gz APHOGRNDWSQLBN-NWDGAFQWSA-N 2 1 255.362 -0.096 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000723694735 790803128 /nfs/dbraw/zinc/80/31/28/790803128.db2.gz HRZRLXHNKRMIQM-ZDUSSCGKSA-N 2 1 282.388 -0.652 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)CCO1 ZINC000723671353 790803447 /nfs/dbraw/zinc/80/34/47/790803447.db2.gz APHOGRNDWSQLBN-VXGBXAGGSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cnnn1C ZINC000823788468 790855277 /nfs/dbraw/zinc/85/52/77/790855277.db2.gz CXRLTTGZXHLKLQ-NSHDSACASA-N 2 1 280.376 -0.370 20 0 CBADMP C[C@H](CC[NH2+]Cc1cn(C)c(=O)n(C)c1=O)[NH+](C)C ZINC000829320393 790898011 /nfs/dbraw/zinc/89/80/11/790898011.db2.gz PNMBTRGGVRZTCI-SNVBAGLBSA-N 2 1 268.361 -0.486 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000912598411 790915066 /nfs/dbraw/zinc/91/50/66/790915066.db2.gz DOKDTPUVZDEJQN-UHFFFAOYSA-N 2 1 297.403 -0.559 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020675679 790939450 /nfs/dbraw/zinc/93/94/50/790939450.db2.gz ARDLCSNVKWBJJB-AVGNSLFASA-N 2 1 296.415 -0.029 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001021897563 790965788 /nfs/dbraw/zinc/96/57/88/790965788.db2.gz MRFUCULHEOQVPX-XQHKEYJVSA-N 2 1 294.399 -0.404 20 0 CBADMP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001021898328 790967005 /nfs/dbraw/zinc/96/70/05/790967005.db2.gz XAHLKCSCZXKUGG-LOWVWBTDSA-N 2 1 292.387 -0.354 20 0 CBADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001021895969 790967109 /nfs/dbraw/zinc/96/71/09/790967109.db2.gz SQMFZLOPCDCSBW-AXFHLTTASA-N 2 1 293.375 -0.959 20 0 CBADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001021895969 790967119 /nfs/dbraw/zinc/96/71/19/790967119.db2.gz SQMFZLOPCDCSBW-AXFHLTTASA-N 2 1 293.375 -0.959 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001021906730 790967949 /nfs/dbraw/zinc/96/79/49/790967949.db2.gz WYJMYXSSKCTCSG-UMNHJUIQSA-N 2 1 279.344 -0.099 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001021906730 790967962 /nfs/dbraw/zinc/96/79/62/790967962.db2.gz WYJMYXSSKCTCSG-UMNHJUIQSA-N 2 1 279.344 -0.099 20 0 CBADMP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001021904759 790969310 /nfs/dbraw/zinc/96/93/10/790969310.db2.gz CLDPZTYMWPRUDL-QNWHQSFQSA-N 2 1 294.399 -0.452 20 0 CBADMP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC001021904764 790969682 /nfs/dbraw/zinc/96/96/82/790969682.db2.gz CLDPZTYMWPRUDL-XQHKEYJVSA-N 2 1 294.399 -0.452 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC3)C2)C1 ZINC001021927678 790970645 /nfs/dbraw/zinc/97/06/45/790970645.db2.gz JEXTYDMEXIWVEY-XQQFMLRXSA-N 2 1 267.373 -0.036 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC3)C2)C1 ZINC001021927678 790970654 /nfs/dbraw/zinc/97/06/54/790970654.db2.gz JEXTYDMEXIWVEY-XQQFMLRXSA-N 2 1 267.373 -0.036 20 0 CBADMP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001021929561 790973066 /nfs/dbraw/zinc/97/30/66/790973066.db2.gz NPNQRLUWKSDMQQ-GRYCIOLGSA-N 2 1 255.362 -0.036 20 0 CBADMP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001021929561 790973073 /nfs/dbraw/zinc/97/30/73/790973073.db2.gz NPNQRLUWKSDMQQ-GRYCIOLGSA-N 2 1 255.362 -0.036 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022071422 790986768 /nfs/dbraw/zinc/98/67/68/790986768.db2.gz PNXZGEMKLJLBTK-GRYCIOLGSA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)CC[N@H+]1C ZINC001022103733 790989612 /nfs/dbraw/zinc/98/96/12/790989612.db2.gz MKMNTDMSBFWBQU-WISYIIOYSA-N 2 1 255.362 -0.444 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001022164875 790993901 /nfs/dbraw/zinc/99/39/01/790993901.db2.gz SNNYANZNADZLNS-NDBYEHHHSA-N 2 1 296.415 -0.029 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001022277455 791001721 /nfs/dbraw/zinc/00/17/21/791001721.db2.gz ANVGSNPIDCSWSI-QNWHQSFQSA-N 2 1 294.399 -0.275 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022350394 791006358 /nfs/dbraw/zinc/00/63/58/791006358.db2.gz LOYCGYVKWLBEMH-XQQFMLRXSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001022715976 791041125 /nfs/dbraw/zinc/04/11/25/791041125.db2.gz OZQFXYJTPGIYSB-XQHKEYJVSA-N 2 1 269.389 -0.054 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001076987172 805668450 /nfs/dbraw/zinc/66/84/50/805668450.db2.gz FLTGABRNVFTNQV-FRRDWIJNSA-N 2 1 285.388 -0.987 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001076987172 805668458 /nfs/dbraw/zinc/66/84/58/805668458.db2.gz FLTGABRNVFTNQV-FRRDWIJNSA-N 2 1 285.388 -0.987 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001076987172 805668463 /nfs/dbraw/zinc/66/84/63/805668463.db2.gz FLTGABRNVFTNQV-FRRDWIJNSA-N 2 1 285.388 -0.987 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001076987172 805668468 /nfs/dbraw/zinc/66/84/68/805668468.db2.gz FLTGABRNVFTNQV-FRRDWIJNSA-N 2 1 285.388 -0.987 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CCCF)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077007591 805671079 /nfs/dbraw/zinc/67/10/79/805671079.db2.gz TWSIUIJEODEWAE-MGPQQGTHSA-N 2 1 299.390 -0.151 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1nncn1C ZINC001147886286 814924554 /nfs/dbraw/zinc/92/45/54/814924554.db2.gz SZMXOYIYNRHZBZ-VXGBXAGGSA-N 2 1 294.403 -0.076 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)c1nncn1C ZINC001147886286 814924550 /nfs/dbraw/zinc/92/45/50/814924550.db2.gz SZMXOYIYNRHZBZ-VXGBXAGGSA-N 2 1 294.403 -0.076 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077300072 805717393 /nfs/dbraw/zinc/71/73/93/805717393.db2.gz XAEDLZKIPQCHCV-VXGBXAGGSA-N 2 1 267.373 -0.204 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001077505270 805739423 /nfs/dbraw/zinc/73/94/23/805739423.db2.gz XRORBLNFETURPW-YNEHKIRRSA-N 2 1 299.415 -0.597 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001077505270 805739424 /nfs/dbraw/zinc/73/94/24/805739424.db2.gz XRORBLNFETURPW-YNEHKIRRSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566445 805748732 /nfs/dbraw/zinc/74/87/32/805748732.db2.gz BDFGFASWHCTDMM-MCIONIFRSA-N 2 1 299.415 -0.335 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566445 805748736 /nfs/dbraw/zinc/74/87/36/805748736.db2.gz BDFGFASWHCTDMM-MCIONIFRSA-N 2 1 299.415 -0.335 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077566445 805748740 /nfs/dbraw/zinc/74/87/40/805748740.db2.gz BDFGFASWHCTDMM-MCIONIFRSA-N 2 1 299.415 -0.335 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077566445 805748743 /nfs/dbraw/zinc/74/87/43/805748743.db2.gz BDFGFASWHCTDMM-MCIONIFRSA-N 2 1 299.415 -0.335 20 0 CBADMP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566708 805749575 /nfs/dbraw/zinc/74/95/75/805749575.db2.gz LRPKNIJSWUHLMS-MCIONIFRSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566708 805749583 /nfs/dbraw/zinc/74/95/83/805749583.db2.gz LRPKNIJSWUHLMS-MCIONIFRSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077566708 805749591 /nfs/dbraw/zinc/74/95/91/805749591.db2.gz LRPKNIJSWUHLMS-MCIONIFRSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077566708 805749598 /nfs/dbraw/zinc/74/95/98/805749598.db2.gz LRPKNIJSWUHLMS-MCIONIFRSA-N 2 1 299.415 -0.333 20 0 CBADMP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001077682756 805765819 /nfs/dbraw/zinc/76/58/19/805765819.db2.gz ILROWWLSFCTWNV-MRVWCRGKSA-N 2 1 292.383 -0.065 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001077682756 805765828 /nfs/dbraw/zinc/76/58/28/805765828.db2.gz ILROWWLSFCTWNV-MRVWCRGKSA-N 2 1 292.383 -0.065 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001077675721 805768643 /nfs/dbraw/zinc/76/86/43/805768643.db2.gz WPOMACMLOBNKPT-JHJVBQTASA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001077675721 805768650 /nfs/dbraw/zinc/76/86/50/805768650.db2.gz WPOMACMLOBNKPT-JHJVBQTASA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077675721 805768656 /nfs/dbraw/zinc/76/86/56/805768656.db2.gz WPOMACMLOBNKPT-JHJVBQTASA-N 2 1 285.388 -0.986 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCF)C[C@H]2O)C1 ZINC001078006147 805823671 /nfs/dbraw/zinc/82/36/71/805823671.db2.gz UEPJMOUUFSJOPV-YNEHKIRRSA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)C1 ZINC001078006147 805823681 /nfs/dbraw/zinc/82/36/81/805823681.db2.gz UEPJMOUUFSJOPV-YNEHKIRRSA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)C1 ZINC001078006147 805823689 /nfs/dbraw/zinc/82/36/89/805823689.db2.gz UEPJMOUUFSJOPV-YNEHKIRRSA-N 2 1 287.379 -0.151 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011948 805821300 /nfs/dbraw/zinc/82/13/00/805821300.db2.gz OWIAIABQPMMKGX-JHJVBQTASA-N 2 1 297.399 -0.722 20 0 CBADMP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175370 805847827 /nfs/dbraw/zinc/84/78/27/805847827.db2.gz YLVXEMLSZOUZOZ-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078175370 805847837 /nfs/dbraw/zinc/84/78/37/805847837.db2.gz YLVXEMLSZOUZOZ-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078175370 805847842 /nfs/dbraw/zinc/84/78/42/805847842.db2.gz YLVXEMLSZOUZOZ-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@H]2O)C1 ZINC001078174315 805851320 /nfs/dbraw/zinc/85/13/20/805851320.db2.gz HYMFIYJMADGMOT-QJPTWQEYSA-N 2 1 273.352 -0.541 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)C1 ZINC001078174315 805851330 /nfs/dbraw/zinc/85/13/30/805851330.db2.gz HYMFIYJMADGMOT-QJPTWQEYSA-N 2 1 273.352 -0.541 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)C1 ZINC001078174315 805851340 /nfs/dbraw/zinc/85/13/40/805851340.db2.gz HYMFIYJMADGMOT-QJPTWQEYSA-N 2 1 273.352 -0.541 20 0 CBADMP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180342 805853307 /nfs/dbraw/zinc/85/33/07/805853307.db2.gz ZBYHZFJJWYLOOB-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180342 805853317 /nfs/dbraw/zinc/85/33/17/805853317.db2.gz ZBYHZFJJWYLOOB-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H](CCNC(=O)CC[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001078200332 805857307 /nfs/dbraw/zinc/85/73/07/805857307.db2.gz TWWQOEMCIPGMEZ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCCO1 ZINC001078487714 805879035 /nfs/dbraw/zinc/87/90/35/805879035.db2.gz OVBGFLNKUIGPHG-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP Cc1cncn1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001080138327 805960693 /nfs/dbraw/zinc/96/06/93/805960693.db2.gz FWXXDIGXQRDVKS-ZYHUDNBSSA-N 2 1 266.345 -0.380 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001080138327 805960709 /nfs/dbraw/zinc/96/07/09/805960709.db2.gz FWXXDIGXQRDVKS-ZYHUDNBSSA-N 2 1 266.345 -0.380 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001147970513 814927727 /nfs/dbraw/zinc/92/77/27/814927727.db2.gz KFDBTMLYIRQTJK-UHFFFAOYSA-N 2 1 292.387 -0.400 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080943004 806016972 /nfs/dbraw/zinc/01/69/72/806016972.db2.gz KWBJVZHYUBJEHV-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080943004 806016981 /nfs/dbraw/zinc/01/69/81/806016981.db2.gz KWBJVZHYUBJEHV-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095705 806145041 /nfs/dbraw/zinc/14/50/41/806145041.db2.gz DZCOHHXBFCVYFQ-CHWSQXEVSA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082095878 806145598 /nfs/dbraw/zinc/14/55/98/806145598.db2.gz MWWZGEVZSZYTRZ-ZIAGYGMSSA-N 2 1 299.415 -0.210 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326498 806164380 /nfs/dbraw/zinc/16/43/80/806164380.db2.gz GNWWBDLXCFULJT-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326498 806164382 /nfs/dbraw/zinc/16/43/82/806164382.db2.gz GNWWBDLXCFULJT-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326498 806164389 /nfs/dbraw/zinc/16/43/89/806164389.db2.gz GNWWBDLXCFULJT-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326826 806165560 /nfs/dbraw/zinc/16/55/60/806165560.db2.gz RLDFHGBYDZUVTL-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326826 806165563 /nfs/dbraw/zinc/16/55/63/806165563.db2.gz RLDFHGBYDZUVTL-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326826 806165567 /nfs/dbraw/zinc/16/55/67/806165567.db2.gz RLDFHGBYDZUVTL-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP 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 806191799 /nfs/dbraw/zinc/19/17/99/806191799.db2.gz BIIOCBGAPKYWHD-MROQNXINSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCO ZINC001082921129 806199035 /nfs/dbraw/zinc/19/90/35/806199035.db2.gz XUGAVDQFLJIRSX-IJLUTSLNSA-N 2 1 255.362 -0.633 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)C1 ZINC001083248216 806242667 /nfs/dbraw/zinc/24/26/67/806242667.db2.gz WXSICRNKASCKOI-HZSPNIEDSA-N 2 1 297.399 -0.768 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)C1 ZINC001083248216 806242674 /nfs/dbraw/zinc/24/26/74/806242674.db2.gz WXSICRNKASCKOI-HZSPNIEDSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1 ZINC001083248216 806242679 /nfs/dbraw/zinc/24/26/79/806242679.db2.gz WXSICRNKASCKOI-HZSPNIEDSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1 ZINC001083248216 806242686 /nfs/dbraw/zinc/24/26/86/806242686.db2.gz WXSICRNKASCKOI-HZSPNIEDSA-N 2 1 297.399 -0.768 20 0 CBADMP CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372832 806288145 /nfs/dbraw/zinc/28/81/45/806288145.db2.gz GUVSZUFMFQSYHI-WOPDTQHZSA-N 2 1 255.362 -0.350 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372832 806288156 /nfs/dbraw/zinc/28/81/56/806288156.db2.gz GUVSZUFMFQSYHI-WOPDTQHZSA-N 2 1 255.362 -0.350 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083372832 806288165 /nfs/dbraw/zinc/28/81/65/806288165.db2.gz GUVSZUFMFQSYHI-WOPDTQHZSA-N 2 1 255.362 -0.350 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083372832 806288172 /nfs/dbraw/zinc/28/81/72/806288172.db2.gz GUVSZUFMFQSYHI-WOPDTQHZSA-N 2 1 255.362 -0.350 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083455477 806332225 /nfs/dbraw/zinc/33/22/25/806332225.db2.gz FLTGABRNVFTNQV-AGIUHOORSA-N 2 1 285.388 -0.987 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083455477 806332231 /nfs/dbraw/zinc/33/22/31/806332231.db2.gz FLTGABRNVFTNQV-AGIUHOORSA-N 2 1 285.388 -0.987 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083455477 806332239 /nfs/dbraw/zinc/33/22/39/806332239.db2.gz FLTGABRNVFTNQV-AGIUHOORSA-N 2 1 285.388 -0.987 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083455477 806332245 /nfs/dbraw/zinc/33/22/45/806332245.db2.gz FLTGABRNVFTNQV-AGIUHOORSA-N 2 1 285.388 -0.987 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083522724 806354504 /nfs/dbraw/zinc/35/45/04/806354504.db2.gz UKYRMLSUOUCCNY-WOPDTQHZSA-N 2 1 278.356 -0.058 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083522724 806354514 /nfs/dbraw/zinc/35/45/14/806354514.db2.gz UKYRMLSUOUCCNY-WOPDTQHZSA-N 2 1 278.356 -0.058 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083602468 806382825 /nfs/dbraw/zinc/38/28/25/806382825.db2.gz XAEDLZKIPQCHCV-NEPJUHHUSA-N 2 1 267.373 -0.204 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001083668978 806396363 /nfs/dbraw/zinc/39/63/63/806396363.db2.gz OKRUENNVOQOLAK-RDBSUJKOSA-N 2 1 297.399 -0.986 20 0 CBADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001083668978 806396366 /nfs/dbraw/zinc/39/63/66/806396366.db2.gz OKRUENNVOQOLAK-RDBSUJKOSA-N 2 1 297.399 -0.986 20 0 CBADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC001083832909 806442569 /nfs/dbraw/zinc/44/25/69/806442569.db2.gz ACZVYOGZUUUQLJ-KGLIPLIRSA-N 2 1 299.415 -0.738 20 0 CBADMP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958376 806470989 /nfs/dbraw/zinc/47/09/89/806470989.db2.gz CFJISMAYZBTAMP-XQQFMLRXSA-N 2 1 297.399 -0.722 20 0 CBADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957481 806471143 /nfs/dbraw/zinc/47/11/43/806471143.db2.gz APJKHGANAFSJFF-OLZOCXBDSA-N 2 1 281.400 -0.101 20 0 CBADMP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958375 806471241 /nfs/dbraw/zinc/47/12/41/806471241.db2.gz CFJISMAYZBTAMP-UPJWGTAASA-N 2 1 297.399 -0.722 20 0 CBADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)OC ZINC001084057428 806480130 /nfs/dbraw/zinc/48/01/30/806480130.db2.gz KNJKQGLTLIYMDV-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)OC ZINC001084057428 806480135 /nfs/dbraw/zinc/48/01/35/806480135.db2.gz KNJKQGLTLIYMDV-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001084053533 806481573 /nfs/dbraw/zinc/48/15/73/806481573.db2.gz BBMHUGMXOOJQBU-UPJWGTAASA-N 2 1 267.373 -0.491 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)C1 ZINC001084053533 806481576 /nfs/dbraw/zinc/48/15/76/806481576.db2.gz BBMHUGMXOOJQBU-UPJWGTAASA-N 2 1 267.373 -0.491 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)C1 ZINC001084053533 806481585 /nfs/dbraw/zinc/48/15/85/806481585.db2.gz BBMHUGMXOOJQBU-UPJWGTAASA-N 2 1 267.373 -0.491 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084778038 806534633 /nfs/dbraw/zinc/53/46/33/806534633.db2.gz CASNHUCZPQBSAG-MGPQQGTHSA-N 2 1 293.411 -0.004 20 0 CBADMP O=C(N1C[C@H]2CC[N@H+](CCCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778381 806535047 /nfs/dbraw/zinc/53/50/47/806535047.db2.gz UYSNJIPBDDIFMJ-ZIAGYGMSSA-N 2 1 293.411 -0.003 20 0 CBADMP Cn1cncc1CCC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084806000 806537546 /nfs/dbraw/zinc/53/75/46/806537546.db2.gz RUABNQIARNPSCO-TZMCWYRMSA-N 2 1 292.383 -0.122 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(N)=O)[C@H]3C2)C1 ZINC001085092658 806545145 /nfs/dbraw/zinc/54/51/45/806545145.db2.gz KRSXWYCACZMACJ-AGIUHOORSA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(N)=O)[C@H]3C2)C1 ZINC001085092658 806545147 /nfs/dbraw/zinc/54/51/47/806545147.db2.gz KRSXWYCACZMACJ-AGIUHOORSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)C1 ZINC001085092658 806545152 /nfs/dbraw/zinc/54/51/52/806545152.db2.gz KRSXWYCACZMACJ-AGIUHOORSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)C1 ZINC001085092658 806545157 /nfs/dbraw/zinc/54/51/57/806545157.db2.gz KRSXWYCACZMACJ-AGIUHOORSA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(N)=O)[C@H]3C2)C1 ZINC001085092659 806546337 /nfs/dbraw/zinc/54/63/37/806546337.db2.gz KRSXWYCACZMACJ-UPJWGTAASA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(N)=O)[C@H]3C2)C1 ZINC001085092659 806546342 /nfs/dbraw/zinc/54/63/42/806546342.db2.gz KRSXWYCACZMACJ-UPJWGTAASA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)C1 ZINC001085092659 806546345 /nfs/dbraw/zinc/54/63/45/806546345.db2.gz KRSXWYCACZMACJ-UPJWGTAASA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)C1 ZINC001085092659 806546351 /nfs/dbraw/zinc/54/63/51/806546351.db2.gz KRSXWYCACZMACJ-UPJWGTAASA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085393797 806555229 /nfs/dbraw/zinc/55/52/29/806555229.db2.gz KTNZVSGTDLOGQK-YNEHKIRRSA-N 2 1 296.415 -0.170 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCCO)C(=O)[C@H]1CCC[NH+]1C ZINC001085519774 806571284 /nfs/dbraw/zinc/57/12/84/806571284.db2.gz XIZSEPQKJZRCQV-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001085519774 806571290 /nfs/dbraw/zinc/57/12/90/806571290.db2.gz XIZSEPQKJZRCQV-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001085519774 806571294 /nfs/dbraw/zinc/57/12/94/806571294.db2.gz XIZSEPQKJZRCQV-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085673465 806593875 /nfs/dbraw/zinc/59/38/75/806593875.db2.gz XZZQPZWZWRLJMD-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085673465 806593882 /nfs/dbraw/zinc/59/38/82/806593882.db2.gz XZZQPZWZWRLJMD-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085673465 806593894 /nfs/dbraw/zinc/59/38/94/806593894.db2.gz XZZQPZWZWRLJMD-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001085673465 806593902 /nfs/dbraw/zinc/59/39/02/806593902.db2.gz XZZQPZWZWRLJMD-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085972966 806626467 /nfs/dbraw/zinc/62/64/67/806626467.db2.gz LSFCJXLINIARRO-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085972966 806626470 /nfs/dbraw/zinc/62/64/70/806626470.db2.gz LSFCJXLINIARRO-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085972966 806626474 /nfs/dbraw/zinc/62/64/74/806626474.db2.gz LSFCJXLINIARRO-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085973516 806630033 /nfs/dbraw/zinc/63/00/33/806630033.db2.gz YXDHLQBMIONSPX-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085973516 806630039 /nfs/dbraw/zinc/63/00/39/806630039.db2.gz YXDHLQBMIONSPX-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085973516 806630046 /nfs/dbraw/zinc/63/00/46/806630046.db2.gz YXDHLQBMIONSPX-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCF)C2)C1 ZINC001086052140 806641092 /nfs/dbraw/zinc/64/10/92/806641092.db2.gz BBBCKFBOLRNACE-GRYCIOLGSA-N 2 1 273.352 -0.229 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCF)C2)C1 ZINC001086052140 806641096 /nfs/dbraw/zinc/64/10/96/806641096.db2.gz BBBCKFBOLRNACE-GRYCIOLGSA-N 2 1 273.352 -0.229 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022806804 798842279 /nfs/dbraw/zinc/84/22/79/798842279.db2.gz ARDLCSNVKWBJJB-XQQFMLRXSA-N 2 1 296.415 -0.029 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001022838391 798843164 /nfs/dbraw/zinc/84/31/64/798843164.db2.gz MNXUATOKEDRXLT-YVECIDJPSA-N 2 1 294.399 -0.275 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001022975869 798870624 /nfs/dbraw/zinc/87/06/24/798870624.db2.gz VYCJSWIYMWPGRM-ZDEQEGDKSA-N 2 1 269.389 -0.054 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022976702 798872407 /nfs/dbraw/zinc/87/24/07/798872407.db2.gz FBXLEOUQAWQYKE-SDDRHHMPSA-N 2 1 255.362 -0.443 20 0 CBADMP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001023086299 798880054 /nfs/dbraw/zinc/88/00/54/798880054.db2.gz HJJZAOXJEHXOTB-SDDRHHMPSA-N 2 1 292.387 -0.198 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1)C(N)=O ZINC001023093649 798881643 /nfs/dbraw/zinc/88/16/43/798881643.db2.gz KJIOWRJVIWRYHO-GRYCIOLGSA-N 2 1 293.371 -0.308 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001023125892 798885263 /nfs/dbraw/zinc/88/52/63/798885263.db2.gz ZSKKORDICHFBDT-BKUVIOGVSA-N 2 1 282.388 -0.419 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001023131011 798885512 /nfs/dbraw/zinc/88/55/12/798885512.db2.gz SUAAEHKRKUYAQA-TUAOUCFPSA-N 2 1 282.388 -0.417 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001023128670 798885804 /nfs/dbraw/zinc/88/58/04/798885804.db2.gz OBEZOPXPIHQYGN-NDBYEHHHSA-N 2 1 296.415 -0.029 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC001023292604 798898682 /nfs/dbraw/zinc/89/86/82/798898682.db2.gz YPKVNWRFGSXTJQ-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC001023292604 798898685 /nfs/dbraw/zinc/89/86/85/798898685.db2.gz YPKVNWRFGSXTJQ-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC001023292604 798898688 /nfs/dbraw/zinc/89/86/88/798898688.db2.gz YPKVNWRFGSXTJQ-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC001023292604 798898690 /nfs/dbraw/zinc/89/86/90/798898690.db2.gz YPKVNWRFGSXTJQ-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703205 798919968 /nfs/dbraw/zinc/91/99/68/798919968.db2.gz CSTYOORGNKOVLE-GFCCVEGCSA-N 2 1 294.399 -0.604 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703205 798919971 /nfs/dbraw/zinc/91/99/71/798919971.db2.gz CSTYOORGNKOVLE-GFCCVEGCSA-N 2 1 294.399 -0.604 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001023747011 798920588 /nfs/dbraw/zinc/92/05/88/798920588.db2.gz XZESKNYMUJNFHP-VXGBXAGGSA-N 2 1 282.388 -0.748 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001023747011 798920591 /nfs/dbraw/zinc/92/05/91/798920591.db2.gz XZESKNYMUJNFHP-VXGBXAGGSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001023747011 798920596 /nfs/dbraw/zinc/92/05/96/798920596.db2.gz XZESKNYMUJNFHP-VXGBXAGGSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001023747011 798920599 /nfs/dbraw/zinc/92/05/99/798920599.db2.gz XZESKNYMUJNFHP-VXGBXAGGSA-N 2 1 282.388 -0.748 20 0 CBADMP COCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024375296 798934061 /nfs/dbraw/zinc/93/40/61/798934061.db2.gz QLWLSRYXPWCTOO-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024375296 798934066 /nfs/dbraw/zinc/93/40/66/798934066.db2.gz QLWLSRYXPWCTOO-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001024375296 798934069 /nfs/dbraw/zinc/93/40/69/798934069.db2.gz QLWLSRYXPWCTOO-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001024375296 798934072 /nfs/dbraw/zinc/93/40/72/798934072.db2.gz QLWLSRYXPWCTOO-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP 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 798971255 /nfs/dbraw/zinc/97/12/55/798971255.db2.gz FCKCCKMHBQAIPP-FPYNETTCSA-N 2 1 292.383 -0.985 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025707968 798971259 /nfs/dbraw/zinc/97/12/59/798971259.db2.gz FCKCCKMHBQAIPP-FPYNETTCSA-N 2 1 292.383 -0.985 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025707968 798971262 /nfs/dbraw/zinc/97/12/62/798971262.db2.gz FCKCCKMHBQAIPP-FPYNETTCSA-N 2 1 292.383 -0.985 20 0 CBADMP CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719407 798971387 /nfs/dbraw/zinc/97/13/87/798971387.db2.gz SFSXRFXHDQVYKG-RGDJUOJXSA-N 2 1 297.399 -0.602 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719407 798971394 /nfs/dbraw/zinc/97/13/94/798971394.db2.gz SFSXRFXHDQVYKG-RGDJUOJXSA-N 2 1 297.399 -0.602 20 0 CBADMP CO[C@H](C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001025719407 798971397 /nfs/dbraw/zinc/97/13/97/798971397.db2.gz SFSXRFXHDQVYKG-RGDJUOJXSA-N 2 1 297.399 -0.602 20 0 CBADMP CO[C@H](C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001025719407 798971400 /nfs/dbraw/zinc/97/14/00/798971400.db2.gz SFSXRFXHDQVYKG-RGDJUOJXSA-N 2 1 297.399 -0.602 20 0 CBADMP CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719406 798972347 /nfs/dbraw/zinc/97/23/47/798972347.db2.gz SFSXRFXHDQVYKG-PDWCTOEPSA-N 2 1 297.399 -0.602 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719406 798972350 /nfs/dbraw/zinc/97/23/50/798972350.db2.gz SFSXRFXHDQVYKG-PDWCTOEPSA-N 2 1 297.399 -0.602 20 0 CBADMP CO[C@@H](C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001025719406 798972352 /nfs/dbraw/zinc/97/23/52/798972352.db2.gz SFSXRFXHDQVYKG-PDWCTOEPSA-N 2 1 297.399 -0.602 20 0 CBADMP CO[C@@H](C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001025719406 798972356 /nfs/dbraw/zinc/97/23/56/798972356.db2.gz SFSXRFXHDQVYKG-PDWCTOEPSA-N 2 1 297.399 -0.602 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798639 798976198 /nfs/dbraw/zinc/97/61/98/798976198.db2.gz BKYCDYRRLYIQKE-PDWCTOEPSA-N 2 1 297.374 -0.135 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798639 798976203 /nfs/dbraw/zinc/97/62/03/798976203.db2.gz BKYCDYRRLYIQKE-PDWCTOEPSA-N 2 1 297.374 -0.135 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH+](CCF)C[C@H]21)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025798639 798976207 /nfs/dbraw/zinc/97/62/07/798976207.db2.gz BKYCDYRRLYIQKE-PDWCTOEPSA-N 2 1 297.374 -0.135 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH+](CCF)C[C@H]21)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025798639 798976211 /nfs/dbraw/zinc/97/62/11/798976211.db2.gz BKYCDYRRLYIQKE-PDWCTOEPSA-N 2 1 297.374 -0.135 20 0 CBADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025799046 798976791 /nfs/dbraw/zinc/97/67/91/798976791.db2.gz QLHFHQFOPFVXOK-RGDJUOJXSA-N 2 1 279.384 -0.084 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025799046 798976794 /nfs/dbraw/zinc/97/67/94/798976794.db2.gz QLHFHQFOPFVXOK-RGDJUOJXSA-N 2 1 279.384 -0.084 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025799046 798976797 /nfs/dbraw/zinc/97/67/97/798976797.db2.gz QLHFHQFOPFVXOK-RGDJUOJXSA-N 2 1 279.384 -0.084 20 0 CBADMP 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 798977277 /nfs/dbraw/zinc/97/72/77/798977277.db2.gz OKIZDJQWQJOAGE-KJKVDNPUSA-N 2 1 281.400 -0.246 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001025794042 798977279 /nfs/dbraw/zinc/97/72/79/798977279.db2.gz OKIZDJQWQJOAGE-KJKVDNPUSA-N 2 1 281.400 -0.246 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001025794042 798977284 /nfs/dbraw/zinc/97/72/84/798977284.db2.gz OKIZDJQWQJOAGE-KJKVDNPUSA-N 2 1 281.400 -0.246 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798638 798977480 /nfs/dbraw/zinc/97/74/80/798977480.db2.gz BKYCDYRRLYIQKE-ODXJTPSBSA-N 2 1 297.374 -0.135 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798638 798977487 /nfs/dbraw/zinc/97/74/87/798977487.db2.gz BKYCDYRRLYIQKE-ODXJTPSBSA-N 2 1 297.374 -0.135 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH+](CCF)C[C@H]21)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025798638 798977491 /nfs/dbraw/zinc/97/74/91/798977491.db2.gz BKYCDYRRLYIQKE-ODXJTPSBSA-N 2 1 297.374 -0.135 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH+](CCF)C[C@H]21)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025798638 798977494 /nfs/dbraw/zinc/97/74/94/798977494.db2.gz BKYCDYRRLYIQKE-ODXJTPSBSA-N 2 1 297.374 -0.135 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001025818434 798978110 /nfs/dbraw/zinc/97/81/10/798978110.db2.gz QLLHSRFKRORNQR-HUXGKSLCSA-N 2 1 297.399 -0.867 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001025818434 798978114 /nfs/dbraw/zinc/97/81/14/798978114.db2.gz QLLHSRFKRORNQR-HUXGKSLCSA-N 2 1 297.399 -0.867 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001025818434 798978117 /nfs/dbraw/zinc/97/81/17/798978117.db2.gz QLLHSRFKRORNQR-HUXGKSLCSA-N 2 1 297.399 -0.867 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001025818434 798978121 /nfs/dbraw/zinc/97/81/21/798978121.db2.gz QLLHSRFKRORNQR-HUXGKSLCSA-N 2 1 297.399 -0.867 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001025818438 798979192 /nfs/dbraw/zinc/97/91/92/798979192.db2.gz QLLHSRFKRORNQR-XADZXUCXSA-N 2 1 297.399 -0.867 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001025818438 798979195 /nfs/dbraw/zinc/97/91/95/798979195.db2.gz QLLHSRFKRORNQR-XADZXUCXSA-N 2 1 297.399 -0.867 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001025818438 798979199 /nfs/dbraw/zinc/97/91/99/798979199.db2.gz QLLHSRFKRORNQR-XADZXUCXSA-N 2 1 297.399 -0.867 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001025818438 798979200 /nfs/dbraw/zinc/97/92/00/798979200.db2.gz QLLHSRFKRORNQR-XADZXUCXSA-N 2 1 297.399 -0.867 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001025820338 798979205 /nfs/dbraw/zinc/97/92/05/798979205.db2.gz OBNCYJOSAOJYNU-ODXJTPSBSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001025820338 798979208 /nfs/dbraw/zinc/97/92/08/798979208.db2.gz OBNCYJOSAOJYNU-ODXJTPSBSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC001025820338 798979210 /nfs/dbraw/zinc/97/92/10/798979210.db2.gz OBNCYJOSAOJYNU-ODXJTPSBSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001026040831 798987709 /nfs/dbraw/zinc/98/77/09/798987709.db2.gz IMOWJWRTYBPPDK-ZXPJVPCYSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001026040831 798987712 /nfs/dbraw/zinc/98/77/12/798987712.db2.gz IMOWJWRTYBPPDK-ZXPJVPCYSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001026040831 798987714 /nfs/dbraw/zinc/98/77/14/798987714.db2.gz IMOWJWRTYBPPDK-ZXPJVPCYSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001026040831 798987716 /nfs/dbraw/zinc/98/77/16/798987716.db2.gz IMOWJWRTYBPPDK-ZXPJVPCYSA-N 2 1 294.399 -0.609 20 0 CBADMP 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 798992329 /nfs/dbraw/zinc/99/23/29/798992329.db2.gz FNBCLCWPVSVQQN-NTASLKFISA-N 2 1 281.400 -0.102 20 0 CBADMP 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 798992839 /nfs/dbraw/zinc/99/28/39/798992839.db2.gz FNBCLCWPVSVQQN-XOBFJNJYSA-N 2 1 281.400 -0.102 20 0 CBADMP 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 798992993 /nfs/dbraw/zinc/99/29/93/798992993.db2.gz SMOKTVWKUVFTMI-IEECTRCBSA-N 2 1 294.399 -0.752 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001026146079 798993004 /nfs/dbraw/zinc/99/30/04/798993004.db2.gz SMOKTVWKUVFTMI-IEECTRCBSA-N 2 1 294.399 -0.752 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001026146079 798993008 /nfs/dbraw/zinc/99/30/08/798993008.db2.gz SMOKTVWKUVFTMI-IEECTRCBSA-N 2 1 294.399 -0.752 20 0 CBADMP 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 798993755 /nfs/dbraw/zinc/99/37/55/798993755.db2.gz SMOKTVWKUVFTMI-KIJLLGNVSA-N 2 1 294.399 -0.752 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001026146080 798993760 /nfs/dbraw/zinc/99/37/60/798993760.db2.gz SMOKTVWKUVFTMI-KIJLLGNVSA-N 2 1 294.399 -0.752 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001026146080 798993763 /nfs/dbraw/zinc/99/37/63/798993763.db2.gz SMOKTVWKUVFTMI-KIJLLGNVSA-N 2 1 294.399 -0.752 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]CCO)CC2)C1 ZINC001026605421 799010769 /nfs/dbraw/zinc/01/07/69/799010769.db2.gz OSCNWGXKBCIEPN-PNESKVBLSA-N 2 1 269.389 -0.053 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027333612 799040040 /nfs/dbraw/zinc/04/00/40/799040040.db2.gz YNSYUFBGDTWPFY-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027333612 799040048 /nfs/dbraw/zinc/04/00/48/799040048.db2.gz YNSYUFBGDTWPFY-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001027333612 799040049 /nfs/dbraw/zinc/04/00/49/799040049.db2.gz YNSYUFBGDTWPFY-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001027333612 799040054 /nfs/dbraw/zinc/04/00/54/799040054.db2.gz YNSYUFBGDTWPFY-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027333613 799040229 /nfs/dbraw/zinc/04/02/29/799040229.db2.gz YNSYUFBGDTWPFY-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027333613 799040235 /nfs/dbraw/zinc/04/02/35/799040235.db2.gz YNSYUFBGDTWPFY-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001027333613 799040238 /nfs/dbraw/zinc/04/02/38/799040238.db2.gz YNSYUFBGDTWPFY-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001027333613 799040243 /nfs/dbraw/zinc/04/02/43/799040243.db2.gz YNSYUFBGDTWPFY-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027465447 799051221 /nfs/dbraw/zinc/05/12/21/799051221.db2.gz OAMTWBCKXSKZTF-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027465447 799051228 /nfs/dbraw/zinc/05/12/28/799051228.db2.gz OAMTWBCKXSKZTF-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001027465447 799051234 /nfs/dbraw/zinc/05/12/34/799051234.db2.gz OAMTWBCKXSKZTF-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001027465447 799051241 /nfs/dbraw/zinc/05/12/41/799051241.db2.gz OAMTWBCKXSKZTF-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027556176 799057466 /nfs/dbraw/zinc/05/74/66/799057466.db2.gz YSELWCIAQWRRTK-CYBMUJFWSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027556176 799057469 /nfs/dbraw/zinc/05/74/69/799057469.db2.gz YSELWCIAQWRRTK-CYBMUJFWSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027556177 799057872 /nfs/dbraw/zinc/05/78/72/799057872.db2.gz YSELWCIAQWRRTK-ZDUSSCGKSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027556177 799057875 /nfs/dbraw/zinc/05/78/75/799057875.db2.gz YSELWCIAQWRRTK-ZDUSSCGKSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001027576831 799059291 /nfs/dbraw/zinc/05/92/91/799059291.db2.gz XTLYBOHTHCGPID-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001027576831 799059294 /nfs/dbraw/zinc/05/92/94/799059294.db2.gz XTLYBOHTHCGPID-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001027576831 799059301 /nfs/dbraw/zinc/05/93/01/799059301.db2.gz XTLYBOHTHCGPID-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001027576831 799059304 /nfs/dbraw/zinc/05/93/04/799059304.db2.gz XTLYBOHTHCGPID-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027650344 799063166 /nfs/dbraw/zinc/06/31/66/799063166.db2.gz FEUQXJBVNQBBJS-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027650344 799063172 /nfs/dbraw/zinc/06/31/72/799063172.db2.gz FEUQXJBVNQBBJS-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027650344 799063176 /nfs/dbraw/zinc/06/31/76/799063176.db2.gz FEUQXJBVNQBBJS-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027650344 799063181 /nfs/dbraw/zinc/06/31/81/799063181.db2.gz FEUQXJBVNQBBJS-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCO ZINC001027789321 799079260 /nfs/dbraw/zinc/07/92/60/799079260.db2.gz HFHKRHFDPUJYFW-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCO ZINC001027789321 799079267 /nfs/dbraw/zinc/07/92/67/799079267.db2.gz HFHKRHFDPUJYFW-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001027789321 799079270 /nfs/dbraw/zinc/07/92/70/799079270.db2.gz HFHKRHFDPUJYFW-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)CC[N@@H+]1C ZINC001027892552 799093056 /nfs/dbraw/zinc/09/30/56/799093056.db2.gz ZAIFDDQFNLGIFX-GRYCIOLGSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)CC[N@H+]1C ZINC001027892552 799093063 /nfs/dbraw/zinc/09/30/63/799093063.db2.gz ZAIFDDQFNLGIFX-GRYCIOLGSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)CC[NH+]1C ZINC001027892552 799093070 /nfs/dbraw/zinc/09/30/70/799093070.db2.gz ZAIFDDQFNLGIFX-GRYCIOLGSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)CC[NH+]1C ZINC001027892552 799093074 /nfs/dbraw/zinc/09/30/74/799093074.db2.gz ZAIFDDQFNLGIFX-GRYCIOLGSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(N)=O)CC[N@@H+]1C ZINC001028098923 799109340 /nfs/dbraw/zinc/10/93/40/799109340.db2.gz XWHVBNIWLARVML-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(N)=O)CC[N@H+]1C ZINC001028098923 799109343 /nfs/dbraw/zinc/10/93/43/799109343.db2.gz XWHVBNIWLARVML-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)CC[NH+]1C ZINC001028098923 799109347 /nfs/dbraw/zinc/10/93/47/799109347.db2.gz XWHVBNIWLARVML-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)CC[NH+]1C ZINC001028098923 799109349 /nfs/dbraw/zinc/10/93/49/799109349.db2.gz XWHVBNIWLARVML-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP O=C(NC[C@@H]1CCC[N@@H+]1CCO)C12CC[NH+](CC1)C2 ZINC001028267687 799119052 /nfs/dbraw/zinc/11/90/52/799119052.db2.gz LLXCJWPSZHNVLW-LBPRGKRZSA-N 2 1 267.373 -0.345 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028265805 799119805 /nfs/dbraw/zinc/11/98/05/799119805.db2.gz KMDCJRJDUWYGEO-NEPJUHHUSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028265805 799119809 /nfs/dbraw/zinc/11/98/09/799119809.db2.gz KMDCJRJDUWYGEO-NEPJUHHUSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028265808 799120101 /nfs/dbraw/zinc/12/01/01/799120101.db2.gz KMDCJRJDUWYGEO-VXGBXAGGSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028265808 799120106 /nfs/dbraw/zinc/12/01/06/799120106.db2.gz KMDCJRJDUWYGEO-VXGBXAGGSA-N 2 1 294.399 -0.463 20 0 CBADMP CNC(=O)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028314840 799122499 /nfs/dbraw/zinc/12/24/99/799122499.db2.gz DZBXIWDKZILOFA-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028314840 799122503 /nfs/dbraw/zinc/12/25/03/799122503.db2.gz DZBXIWDKZILOFA-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028314840 799122507 /nfs/dbraw/zinc/12/25/07/799122507.db2.gz DZBXIWDKZILOFA-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001028314840 799122510 /nfs/dbraw/zinc/12/25/10/799122510.db2.gz DZBXIWDKZILOFA-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028314840 799122513 /nfs/dbraw/zinc/12/25/13/799122513.db2.gz DZBXIWDKZILOFA-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447247 799137942 /nfs/dbraw/zinc/13/79/42/799137942.db2.gz NZGKEAXNPBIPHA-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001028447247 799137944 /nfs/dbraw/zinc/13/79/44/799137944.db2.gz NZGKEAXNPBIPHA-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001028447247 799137947 /nfs/dbraw/zinc/13/79/47/799137947.db2.gz NZGKEAXNPBIPHA-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001028537741 799150169 /nfs/dbraw/zinc/15/01/69/799150169.db2.gz REHWVRJKKZHPHQ-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001028537741 799150170 /nfs/dbraw/zinc/15/01/70/799150170.db2.gz REHWVRJKKZHPHQ-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028537741 799150172 /nfs/dbraw/zinc/15/01/72/799150172.db2.gz REHWVRJKKZHPHQ-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001028537742 799150302 /nfs/dbraw/zinc/15/03/02/799150302.db2.gz REHWVRJKKZHPHQ-STQMWFEESA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001028537742 799150305 /nfs/dbraw/zinc/15/03/05/799150305.db2.gz REHWVRJKKZHPHQ-STQMWFEESA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028537742 799150310 /nfs/dbraw/zinc/15/03/10/799150310.db2.gz REHWVRJKKZHPHQ-STQMWFEESA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001028550134 799151805 /nfs/dbraw/zinc/15/18/05/799151805.db2.gz ILUBURGONXAHIA-GRYCIOLGSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001028550134 799151806 /nfs/dbraw/zinc/15/18/06/799151806.db2.gz ILUBURGONXAHIA-GRYCIOLGSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001028550134 799151808 /nfs/dbraw/zinc/15/18/08/799151808.db2.gz ILUBURGONXAHIA-GRYCIOLGSA-N 2 1 282.388 -0.750 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001028635693 799156035 /nfs/dbraw/zinc/15/60/35/799156035.db2.gz DWDFUUDQMBWSDZ-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001028635693 799156039 /nfs/dbraw/zinc/15/60/39/799156039.db2.gz DWDFUUDQMBWSDZ-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001028635693 799156042 /nfs/dbraw/zinc/15/60/42/799156042.db2.gz DWDFUUDQMBWSDZ-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)O1 ZINC001028629201 799156099 /nfs/dbraw/zinc/15/60/99/799156099.db2.gz HAOIICGDHUROQC-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)O1 ZINC001028629201 799156102 /nfs/dbraw/zinc/15/61/02/799156102.db2.gz HAOIICGDHUROQC-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](CCO)C2)O1 ZINC001028629201 799156104 /nfs/dbraw/zinc/15/61/04/799156104.db2.gz HAOIICGDHUROQC-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](CCO)C2)O1 ZINC001028629201 799156108 /nfs/dbraw/zinc/15/61/08/799156108.db2.gz HAOIICGDHUROQC-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)C1 ZINC001028757212 799166506 /nfs/dbraw/zinc/16/65/06/799166506.db2.gz AYDYQWFNPIOJOY-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](CCO)C2)C1 ZINC001028757212 799166508 /nfs/dbraw/zinc/16/65/08/799166508.db2.gz AYDYQWFNPIOJOY-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001028757212 799166510 /nfs/dbraw/zinc/16/65/10/799166510.db2.gz AYDYQWFNPIOJOY-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)C1 ZINC001028757216 799166659 /nfs/dbraw/zinc/16/66/59/799166659.db2.gz AYDYQWFNPIOJOY-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](CCO)C2)C1 ZINC001028757216 799166661 /nfs/dbraw/zinc/16/66/61/799166661.db2.gz AYDYQWFNPIOJOY-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001028757216 799166662 /nfs/dbraw/zinc/16/66/62/799166662.db2.gz AYDYQWFNPIOJOY-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028931417 799181199 /nfs/dbraw/zinc/18/11/99/799181199.db2.gz QEFGLHARROQYSC-VXGBXAGGSA-N 2 1 294.399 -0.606 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](CCCO)C2)C1 ZINC001028982438 799184031 /nfs/dbraw/zinc/18/40/31/799184031.db2.gz KWYAFCDYMGTZSD-OLZOCXBDSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001028982438 799184034 /nfs/dbraw/zinc/18/40/34/799184034.db2.gz KWYAFCDYMGTZSD-OLZOCXBDSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001028982438 799184035 /nfs/dbraw/zinc/18/40/35/799184035.db2.gz KWYAFCDYMGTZSD-OLZOCXBDSA-N 2 1 269.389 -0.241 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028986147 799184851 /nfs/dbraw/zinc/18/48/51/799184851.db2.gz PVRLRXNTBCCEIR-QWHCGFSZSA-N 2 1 296.415 -0.536 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028986147 799184858 /nfs/dbraw/zinc/18/48/58/799184858.db2.gz PVRLRXNTBCCEIR-QWHCGFSZSA-N 2 1 296.415 -0.536 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028986147 799184859 /nfs/dbraw/zinc/18/48/59/799184859.db2.gz PVRLRXNTBCCEIR-QWHCGFSZSA-N 2 1 296.415 -0.536 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CCOC)C2)C1 ZINC001028996843 799185422 /nfs/dbraw/zinc/18/54/22/799185422.db2.gz KHBQFYVRKPLZTN-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CCOC)C2)C1 ZINC001028996843 799185425 /nfs/dbraw/zinc/18/54/25/799185425.db2.gz KHBQFYVRKPLZTN-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC001028996843 799185429 /nfs/dbraw/zinc/18/54/29/799185429.db2.gz KHBQFYVRKPLZTN-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC001028996843 799185432 /nfs/dbraw/zinc/18/54/32/799185432.db2.gz KHBQFYVRKPLZTN-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)CC[N@H+]1C ZINC001029313833 799194858 /nfs/dbraw/zinc/19/48/58/799194858.db2.gz OJLMHGVAZVPDQW-YIYPIFLZSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)CC[NH+]1C ZINC001029313833 799194860 /nfs/dbraw/zinc/19/48/60/799194860.db2.gz OJLMHGVAZVPDQW-YIYPIFLZSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)CC[NH+]1C ZINC001029313833 799194862 /nfs/dbraw/zinc/19/48/62/799194862.db2.gz OJLMHGVAZVPDQW-YIYPIFLZSA-N 2 1 281.400 -0.006 20 0 CBADMP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO)[NH+](C)C ZINC001029477684 799200636 /nfs/dbraw/zinc/20/06/36/799200636.db2.gz LSXRGDGPCLAZDG-XQQFMLRXSA-N 2 1 269.389 -0.006 20 0 CBADMP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)[NH+](C)C ZINC001029477684 799200639 /nfs/dbraw/zinc/20/06/39/799200639.db2.gz LSXRGDGPCLAZDG-XQQFMLRXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029473846 799200654 /nfs/dbraw/zinc/20/06/54/799200654.db2.gz VYLLWZVONPYSSA-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001029473846 799200659 /nfs/dbraw/zinc/20/06/59/799200659.db2.gz VYLLWZVONPYSSA-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001029473846 799200666 /nfs/dbraw/zinc/20/06/66/799200666.db2.gz VYLLWZVONPYSSA-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031578497 799512121 /nfs/dbraw/zinc/51/21/21/799512121.db2.gz ZGSWXNIEMMXQSN-GFCCVEGCSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031585195 799514200 /nfs/dbraw/zinc/51/42/00/799514200.db2.gz RTXOZECDOACLPH-ZYHUDNBSSA-N 2 1 255.362 -0.491 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001031596847 799516190 /nfs/dbraw/zinc/51/61/90/799516190.db2.gz QKQXVPNUOUIYBI-GXTWGEPZSA-N 2 1 297.399 -0.599 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001031596847 799516194 /nfs/dbraw/zinc/51/61/94/799516194.db2.gz QKQXVPNUOUIYBI-GXTWGEPZSA-N 2 1 297.399 -0.599 20 0 CBADMP CC[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1)OC ZINC001031596451 799517022 /nfs/dbraw/zinc/51/70/22/799517022.db2.gz LJROGYADUWOANQ-KBPBESRZSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)OC ZINC001031596451 799517027 /nfs/dbraw/zinc/51/70/27/799517027.db2.gz LJROGYADUWOANQ-KBPBESRZSA-N 2 1 299.415 -0.210 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC3CC3)C2)C1 ZINC001031594614 799517043 /nfs/dbraw/zinc/51/70/43/799517043.db2.gz GSUZAZJRUCATAU-ZDUSSCGKSA-N 2 1 267.373 -0.225 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC3CC3)C2)C1 ZINC001031594614 799517047 /nfs/dbraw/zinc/51/70/47/799517047.db2.gz GSUZAZJRUCATAU-ZDUSSCGKSA-N 2 1 267.373 -0.225 20 0 CBADMP CC[C@@H](C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1)OC ZINC001031596453 799517477 /nfs/dbraw/zinc/51/74/77/799517477.db2.gz LJROGYADUWOANQ-UONOGXRCSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[C@@H](C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1)OC ZINC001031596453 799517481 /nfs/dbraw/zinc/51/74/81/799517481.db2.gz LJROGYADUWOANQ-UONOGXRCSA-N 2 1 299.415 -0.210 20 0 CBADMP O=C(NCC1C[NH+](CCCO)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031688226 799533149 /nfs/dbraw/zinc/53/31/49/799533149.db2.gz ATDJGQLZPRXDJQ-UONOGXRCSA-N 2 1 297.399 -0.720 20 0 CBADMP O=C(NCC1C[NH+](CCO)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001031732145 799538374 /nfs/dbraw/zinc/53/83/74/799538374.db2.gz VOEQXFUECOSKOY-LBPRGKRZSA-N 2 1 278.356 -0.199 20 0 CBADMP CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765435 799542116 /nfs/dbraw/zinc/54/21/16/799542116.db2.gz GJWHKIAVRGQOOL-ZYHUDNBSSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765435 799542118 /nfs/dbraw/zinc/54/21/18/799542118.db2.gz GJWHKIAVRGQOOL-ZYHUDNBSSA-N 2 1 255.362 -0.227 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031977423 799568352 /nfs/dbraw/zinc/56/83/52/799568352.db2.gz ZPIFJXNHWJORTJ-WCQYABFASA-N 2 1 269.389 -0.122 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031977421 799568605 /nfs/dbraw/zinc/56/86/05/799568605.db2.gz ZPIFJXNHWJORTJ-AAEUAGOBSA-N 2 1 269.389 -0.122 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130014 799584592 /nfs/dbraw/zinc/58/45/92/799584592.db2.gz DICIYZOMRNNLKQ-LLVKDONJSA-N 2 1 294.399 -0.735 20 0 CBADMP CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001032186161 799591147 /nfs/dbraw/zinc/59/11/47/799591147.db2.gz JKRIXLZPHGEBPU-CHWSQXEVSA-N 2 1 294.399 -0.783 20 0 CBADMP CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001032186161 799591150 /nfs/dbraw/zinc/59/11/50/799591150.db2.gz JKRIXLZPHGEBPU-CHWSQXEVSA-N 2 1 294.399 -0.783 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001032205906 799593510 /nfs/dbraw/zinc/59/35/10/799593510.db2.gz MFMVVPYLEOLKBK-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032781335 799667251 /nfs/dbraw/zinc/66/72/51/799667251.db2.gz RBDBHLCMVYOSBU-AGIUHOORSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)C1 ZINC001032781335 799667256 /nfs/dbraw/zinc/66/72/56/799667256.db2.gz RBDBHLCMVYOSBU-AGIUHOORSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)C1 ZINC001032781335 799667258 /nfs/dbraw/zinc/66/72/58/799667258.db2.gz RBDBHLCMVYOSBU-AGIUHOORSA-N 2 1 267.373 -0.394 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032781091 799667525 /nfs/dbraw/zinc/66/75/25/799667525.db2.gz JEXCNAMOIOTYGZ-SRVKXCTJSA-N 2 1 253.346 -0.785 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032781091 799667528 /nfs/dbraw/zinc/66/75/28/799667528.db2.gz JEXCNAMOIOTYGZ-SRVKXCTJSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)C1 ZINC001032781091 799667531 /nfs/dbraw/zinc/66/75/31/799667531.db2.gz JEXCNAMOIOTYGZ-SRVKXCTJSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)C1 ZINC001032781091 799667534 /nfs/dbraw/zinc/66/75/34/799667534.db2.gz JEXCNAMOIOTYGZ-SRVKXCTJSA-N 2 1 253.346 -0.785 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032783636 799667577 /nfs/dbraw/zinc/66/75/77/799667577.db2.gz KANMFUPGSXMXCE-AVGNSLFASA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032783636 799667580 /nfs/dbraw/zinc/66/75/80/799667580.db2.gz KANMFUPGSXMXCE-AVGNSLFASA-N 2 1 267.373 -0.252 20 0 CBADMP COCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033184857 799723882 /nfs/dbraw/zinc/72/38/82/799723882.db2.gz LDYQJDJGFYXBNE-HZSPNIEDSA-N 2 1 299.415 -0.115 20 0 CBADMP COCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033184857 799723892 /nfs/dbraw/zinc/72/38/92/799723892.db2.gz LDYQJDJGFYXBNE-HZSPNIEDSA-N 2 1 299.415 -0.115 20 0 CBADMP COCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033184857 799723895 /nfs/dbraw/zinc/72/38/95/799723895.db2.gz LDYQJDJGFYXBNE-HZSPNIEDSA-N 2 1 299.415 -0.115 20 0 CBADMP COCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033184857 799723897 /nfs/dbraw/zinc/72/38/97/799723897.db2.gz LDYQJDJGFYXBNE-HZSPNIEDSA-N 2 1 299.415 -0.115 20 0 CBADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033398160 799751160 /nfs/dbraw/zinc/75/11/60/799751160.db2.gz WCNUMPOKZNMMLF-ZDUSSCGKSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCO)C2)C1 ZINC001033673264 799781450 /nfs/dbraw/zinc/78/14/50/799781450.db2.gz WRLQXBPFTWKEBG-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCO)C2)C1 ZINC001033673264 799781456 /nfs/dbraw/zinc/78/14/56/799781456.db2.gz WRLQXBPFTWKEBG-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCO)C2)C1 ZINC001033673264 799781459 /nfs/dbraw/zinc/78/14/59/799781459.db2.gz WRLQXBPFTWKEBG-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001033673264 799781464 /nfs/dbraw/zinc/78/14/64/799781464.db2.gz WRLQXBPFTWKEBG-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001034040571 799806417 /nfs/dbraw/zinc/80/64/17/799806417.db2.gz VNLDUTZGIXDFTA-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCO)C1 ZINC001034040571 799806422 /nfs/dbraw/zinc/80/64/22/799806422.db2.gz VNLDUTZGIXDFTA-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCO)C1 ZINC001034040571 799806429 /nfs/dbraw/zinc/80/64/29/799806429.db2.gz VNLDUTZGIXDFTA-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@H]1CC[N@H+](CCO)C1 ZINC001034047310 799807484 /nfs/dbraw/zinc/80/74/84/799807484.db2.gz GCSOACAOWDOSGP-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@H]1CC[N@@H+](CCO)C1 ZINC001034047310 799807493 /nfs/dbraw/zinc/80/74/93/799807493.db2.gz GCSOACAOWDOSGP-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@H]1CC[NH+](CCO)C1 ZINC001034047310 799807499 /nfs/dbraw/zinc/80/74/99/799807499.db2.gz GCSOACAOWDOSGP-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@H]1CC[NH+](CCO)C1 ZINC001034047310 799807510 /nfs/dbraw/zinc/80/75/10/799807510.db2.gz GCSOACAOWDOSGP-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034525404 799843692 /nfs/dbraw/zinc/84/36/92/799843692.db2.gz MDXFZGFSYRYVAC-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034525404 799843702 /nfs/dbraw/zinc/84/37/02/799843702.db2.gz MDXFZGFSYRYVAC-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)C1 ZINC001034525404 799843712 /nfs/dbraw/zinc/84/37/12/799843712.db2.gz MDXFZGFSYRYVAC-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)C1 ZINC001034525404 799843716 /nfs/dbraw/zinc/84/37/16/799843716.db2.gz MDXFZGFSYRYVAC-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP CNC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034524947 799844319 /nfs/dbraw/zinc/84/43/19/799844319.db2.gz JGBMDXKNFXTWTN-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034524947 799844325 /nfs/dbraw/zinc/84/43/25/799844325.db2.gz JGBMDXKNFXTWTN-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034524947 799844330 /nfs/dbraw/zinc/84/43/30/799844330.db2.gz JGBMDXKNFXTWTN-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034524947 799844334 /nfs/dbraw/zinc/84/43/34/799844334.db2.gz JGBMDXKNFXTWTN-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)O1 ZINC001034674585 799852198 /nfs/dbraw/zinc/85/21/98/799852198.db2.gz KAJWFJKTHDWPSG-AAVRWANBSA-N 2 1 299.415 -0.285 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)O1 ZINC001034674585 799852204 /nfs/dbraw/zinc/85/22/04/799852204.db2.gz KAJWFJKTHDWPSG-AAVRWANBSA-N 2 1 299.415 -0.285 20 0 CBADMP C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035579496 799948830 /nfs/dbraw/zinc/94/88/30/799948830.db2.gz JWKVNAKRIZHSLZ-STQMWFEESA-N 2 1 297.399 -0.720 20 0 CBADMP C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035579496 799948832 /nfs/dbraw/zinc/94/88/32/799948832.db2.gz JWKVNAKRIZHSLZ-STQMWFEESA-N 2 1 297.399 -0.720 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035668994 799958814 /nfs/dbraw/zinc/95/88/14/799958814.db2.gz NBMRNZPAYPRLEP-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCO)CC1 ZINC001038672379 801235841 /nfs/dbraw/zinc/23/58/41/801235841.db2.gz WGQJVXHKOGSQDA-LBPRGKRZSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCO)CC1 ZINC001038672379 801235847 /nfs/dbraw/zinc/23/58/47/801235847.db2.gz WGQJVXHKOGSQDA-LBPRGKRZSA-N 2 1 255.362 -0.489 20 0 CBADMP O=C(NC[C@@H]1CC[N@@H+]1CCCO)C12CC[NH+](CC1)C2 ZINC001038918653 801265583 /nfs/dbraw/zinc/26/55/83/801265583.db2.gz FHJSJMPGNOMASB-LBPRGKRZSA-N 2 1 267.373 -0.345 20 0 CBADMP O=C(NC[C@H]1CC[N@@H+]1CCCO)C12CC[NH+](CC1)C2 ZINC001038918649 801267118 /nfs/dbraw/zinc/26/71/18/801267118.db2.gz FHJSJMPGNOMASB-GFCCVEGCSA-N 2 1 267.373 -0.345 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CCn2cncn2)C1 ZINC001039026526 801279860 /nfs/dbraw/zinc/27/98/60/801279860.db2.gz GSEBZAJHFMRIPA-QWHCGFSZSA-N 2 1 292.387 -0.580 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CCn2cncn2)C1 ZINC001039026526 801279864 /nfs/dbraw/zinc/27/98/64/801279864.db2.gz GSEBZAJHFMRIPA-QWHCGFSZSA-N 2 1 292.387 -0.580 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)C1 ZINC001039026526 801279868 /nfs/dbraw/zinc/27/98/68/801279868.db2.gz GSEBZAJHFMRIPA-QWHCGFSZSA-N 2 1 292.387 -0.580 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)C1 ZINC001039026526 801279870 /nfs/dbraw/zinc/27/98/70/801279870.db2.gz GSEBZAJHFMRIPA-QWHCGFSZSA-N 2 1 292.387 -0.580 20 0 CBADMP O=C(Cc1ncc[nH]1)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041758961 801418576 /nfs/dbraw/zinc/41/85/76/801418576.db2.gz OFKXRBFPAOVOBL-CQSZACIVSA-N 2 1 278.356 -0.131 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCO)C3)C2)C1 ZINC001041830384 801421939 /nfs/dbraw/zinc/42/19/39/801421939.db2.gz GWWBJALIKLKBKN-DZGCQCFKSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CCO)C3)C2)C1 ZINC001041830384 801421946 /nfs/dbraw/zinc/42/19/46/801421946.db2.gz GWWBJALIKLKBKN-DZGCQCFKSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCO)C3)C2)C1 ZINC001041830384 801421951 /nfs/dbraw/zinc/42/19/51/801421951.db2.gz GWWBJALIKLKBKN-DZGCQCFKSA-N 2 1 281.400 -0.145 20 0 CBADMP O=C(N1CC[C@]2(CC[N@H+](CCO)C2)C1)C12CC[NH+](CC1)C2 ZINC001041789609 801422081 /nfs/dbraw/zinc/42/20/81/801422081.db2.gz RYTCOZYISPSTMO-HNNXBMFYSA-N 2 1 293.411 -0.001 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041832982 801422590 /nfs/dbraw/zinc/42/25/90/801422590.db2.gz JQDDFHGEXUUJON-OAHLLOKOSA-N 2 1 281.400 -0.001 20 0 CBADMP O=C(N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001042314802 801458183 /nfs/dbraw/zinc/45/81/83/801458183.db2.gz WUCOCKPWTAMDPL-KBPBESRZSA-N 2 1 293.411 -0.003 20 0 CBADMP O=C(N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001042314803 801459333 /nfs/dbraw/zinc/45/93/33/801459333.db2.gz WUCOCKPWTAMDPL-KGLIPLIRSA-N 2 1 293.411 -0.003 20 0 CBADMP C[C@H](O)C[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044188580 801627267 /nfs/dbraw/zinc/62/72/67/801627267.db2.gz LROQXQHPMROWLA-NWDGAFQWSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](O)C[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044188580 801627270 /nfs/dbraw/zinc/62/72/70/801627270.db2.gz LROQXQHPMROWLA-NWDGAFQWSA-N 2 1 269.389 -0.148 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001044683929 801662035 /nfs/dbraw/zinc/66/20/35/801662035.db2.gz GVBOUZWNMMSEHN-ZYHUDNBSSA-N 2 1 293.371 -0.354 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001044865837 801673755 /nfs/dbraw/zinc/67/37/55/801673755.db2.gz REOGUYPWWRYNAJ-JQWIXIFHSA-N 2 1 293.371 -0.354 20 0 CBADMP CNC(=O)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001045385436 801693014 /nfs/dbraw/zinc/69/30/14/801693014.db2.gz OZMKBUKTSSWNDC-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001045385436 801693020 /nfs/dbraw/zinc/69/30/20/801693020.db2.gz OZMKBUKTSSWNDC-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001045557667 801704251 /nfs/dbraw/zinc/70/42/51/801704251.db2.gz RJPPXZHJQYFKEJ-NEPJUHHUSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001045557667 801704255 /nfs/dbraw/zinc/70/42/55/801704255.db2.gz RJPPXZHJQYFKEJ-NEPJUHHUSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2(C)CC[NH+](CCO)CC2)C1 ZINC001045643655 801707915 /nfs/dbraw/zinc/70/79/15/801707915.db2.gz PKEGCFMPHQGTMQ-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC2(C)CC[NH+](CCO)CC2)C1 ZINC001045643655 801707919 /nfs/dbraw/zinc/70/79/19/801707919.db2.gz PKEGCFMPHQGTMQ-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001045638960 801708368 /nfs/dbraw/zinc/70/83/68/801708368.db2.gz SZNYSQATZSCENF-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045638960 801708371 /nfs/dbraw/zinc/70/83/71/801708371.db2.gz SZNYSQATZSCENF-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O)[NH+](C)C ZINC001045849694 801714981 /nfs/dbraw/zinc/71/49/81/801714981.db2.gz SZHZVDLXQFFIOS-AGIUHOORSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O)[NH+](C)C ZINC001045849694 801714986 /nfs/dbraw/zinc/71/49/86/801714986.db2.gz SZHZVDLXQFFIOS-AGIUHOORSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001046330573 801752133 /nfs/dbraw/zinc/75/21/33/801752133.db2.gz NFKJAERQUDDNHN-ZOWXZIJZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001046330573 801752140 /nfs/dbraw/zinc/75/21/40/801752140.db2.gz NFKJAERQUDDNHN-ZOWXZIJZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001046330573 801752145 /nfs/dbraw/zinc/75/21/45/801752145.db2.gz NFKJAERQUDDNHN-ZOWXZIJZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001046330573 801752152 /nfs/dbraw/zinc/75/21/52/801752152.db2.gz NFKJAERQUDDNHN-ZOWXZIJZSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)O1 ZINC001046415639 801761208 /nfs/dbraw/zinc/76/12/08/801761208.db2.gz PYVURKFYZWDRAV-BZPMIXESSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)O1 ZINC001046415639 801761215 /nfs/dbraw/zinc/76/12/15/801761215.db2.gz PYVURKFYZWDRAV-BZPMIXESSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCO)C2)O1 ZINC001046415639 801761219 /nfs/dbraw/zinc/76/12/19/801761219.db2.gz PYVURKFYZWDRAV-BZPMIXESSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)O1 ZINC001046415639 801761224 /nfs/dbraw/zinc/76/12/24/801761224.db2.gz PYVURKFYZWDRAV-BZPMIXESSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046589276 801777189 /nfs/dbraw/zinc/77/71/89/801777189.db2.gz ZIMSNYYBPNREFI-IAQYHMDHSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046589276 801777193 /nfs/dbraw/zinc/77/71/93/801777193.db2.gz ZIMSNYYBPNREFI-IAQYHMDHSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001046831945 801795735 /nfs/dbraw/zinc/79/57/35/801795735.db2.gz SPOJQXVCXICNCJ-GWCFXTLKSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001046831945 801795736 /nfs/dbraw/zinc/79/57/36/801795736.db2.gz SPOJQXVCXICNCJ-GWCFXTLKSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)C1 ZINC001046831945 801795738 /nfs/dbraw/zinc/79/57/38/801795738.db2.gz SPOJQXVCXICNCJ-GWCFXTLKSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)C1 ZINC001046831945 801795739 /nfs/dbraw/zinc/79/57/39/801795739.db2.gz SPOJQXVCXICNCJ-GWCFXTLKSA-N 2 1 268.361 -0.996 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)C1 ZINC001046845203 801798150 /nfs/dbraw/zinc/79/81/50/801798150.db2.gz JDPNQYMGJYBVMI-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)C1 ZINC001046845203 801798154 /nfs/dbraw/zinc/79/81/54/801798154.db2.gz JDPNQYMGJYBVMI-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCO)C2)C1 ZINC001046845203 801798158 /nfs/dbraw/zinc/79/81/58/801798158.db2.gz JDPNQYMGJYBVMI-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)C1 ZINC001046845203 801798161 /nfs/dbraw/zinc/79/81/61/801798161.db2.gz JDPNQYMGJYBVMI-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047324108 801833214 /nfs/dbraw/zinc/83/32/14/801833214.db2.gz IPSDGXJGPPJDAW-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001047324108 801833218 /nfs/dbraw/zinc/83/32/18/801833218.db2.gz IPSDGXJGPPJDAW-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047324108 801833223 /nfs/dbraw/zinc/83/32/23/801833223.db2.gz IPSDGXJGPPJDAW-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047458642 801875638 /nfs/dbraw/zinc/87/56/38/801875638.db2.gz XVDUTIPSGYKDOR-RYUDHWBXSA-N 2 1 266.345 -0.285 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047458642 801875645 /nfs/dbraw/zinc/87/56/45/801875645.db2.gz XVDUTIPSGYKDOR-RYUDHWBXSA-N 2 1 266.345 -0.285 20 0 CBADMP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047458604 801876006 /nfs/dbraw/zinc/87/60/06/801876006.db2.gz VVGCUYFQFWLXRA-STQMWFEESA-N 2 1 296.371 -0.659 20 0 CBADMP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047458604 801876012 /nfs/dbraw/zinc/87/60/12/801876012.db2.gz VVGCUYFQFWLXRA-STQMWFEESA-N 2 1 296.371 -0.659 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047484343 801883153 /nfs/dbraw/zinc/88/31/53/801883153.db2.gz UPYRQXXFWWHMOE-CRWXNKLISA-N 2 1 299.415 -0.381 20 0 CBADMP CO[C@@H](C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001047484343 801883163 /nfs/dbraw/zinc/88/31/63/801883163.db2.gz UPYRQXXFWWHMOE-CRWXNKLISA-N 2 1 299.415 -0.381 20 0 CBADMP CO[C@@H](C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047484343 801883172 /nfs/dbraw/zinc/88/31/72/801883172.db2.gz UPYRQXXFWWHMOE-CRWXNKLISA-N 2 1 299.415 -0.381 20 0 CBADMP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511340 801889833 /nfs/dbraw/zinc/88/98/33/801889833.db2.gz WOHYNADMEKMUMX-KBPBESRZSA-N 2 1 299.415 -0.522 20 0 CBADMP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047624214 801912216 /nfs/dbraw/zinc/91/22/16/801912216.db2.gz CZYYEHPJIHMJEE-RYUDHWBXSA-N 2 1 266.345 -0.285 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047624214 801912218 /nfs/dbraw/zinc/91/22/18/801912218.db2.gz CZYYEHPJIHMJEE-RYUDHWBXSA-N 2 1 266.345 -0.285 20 0 CBADMP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001047632863 801913254 /nfs/dbraw/zinc/91/32/54/801913254.db2.gz CCZOBLGMLWCEDE-RWMBFGLXSA-N 2 1 285.388 -0.770 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001047632863 801913262 /nfs/dbraw/zinc/91/32/62/801913262.db2.gz CCZOBLGMLWCEDE-RWMBFGLXSA-N 2 1 285.388 -0.770 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001047632863 801913269 /nfs/dbraw/zinc/91/32/69/801913269.db2.gz CCZOBLGMLWCEDE-RWMBFGLXSA-N 2 1 285.388 -0.770 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001047632863 801913272 /nfs/dbraw/zinc/91/32/72/801913272.db2.gz CCZOBLGMLWCEDE-RWMBFGLXSA-N 2 1 285.388 -0.770 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627087 801914905 /nfs/dbraw/zinc/91/49/05/801914905.db2.gz JNZMSZCZYATGIE-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001048723972 801957366 /nfs/dbraw/zinc/95/73/66/801957366.db2.gz RQWBKBMSRJVMKM-XQQFMLRXSA-N 2 1 267.373 -0.537 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048723972 801957375 /nfs/dbraw/zinc/95/73/75/801957375.db2.gz RQWBKBMSRJVMKM-XQQFMLRXSA-N 2 1 267.373 -0.537 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048723972 801957377 /nfs/dbraw/zinc/95/73/77/801957377.db2.gz RQWBKBMSRJVMKM-XQQFMLRXSA-N 2 1 267.373 -0.537 20 0 CBADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048823579 801970891 /nfs/dbraw/zinc/97/08/91/801970891.db2.gz FKCLKAPRAIUNLD-QLFBSQMISA-N 2 1 293.411 -0.289 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)C1CC1 ZINC001048863955 801976030 /nfs/dbraw/zinc/97/60/30/801976030.db2.gz QXGFSOCJJYVBCK-MBNYWOFBSA-N 2 1 294.399 -0.798 20 0 CBADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CCC1 ZINC001048860330 801976570 /nfs/dbraw/zinc/97/65/70/801976570.db2.gz PPQYSVRJIVKYJR-TXEJJXNPSA-N 2 1 294.399 -0.654 20 0 CBADMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)[NH+](C)C ZINC001048888715 801978537 /nfs/dbraw/zinc/97/85/37/801978537.db2.gz VMIGUOFMNFOMMA-FRRDWIJNSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)C[C@@H]2C1 ZINC001049059957 801996140 /nfs/dbraw/zinc/99/61/40/801996140.db2.gz KJGNYFZFRLCATC-BYNSBNAKSA-N 2 1 295.427 -0.043 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049059957 801996143 /nfs/dbraw/zinc/99/61/43/801996143.db2.gz KJGNYFZFRLCATC-BYNSBNAKSA-N 2 1 295.427 -0.043 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001049059957 801996148 /nfs/dbraw/zinc/99/61/48/801996148.db2.gz KJGNYFZFRLCATC-BYNSBNAKSA-N 2 1 295.427 -0.043 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049217336 802008045 /nfs/dbraw/zinc/00/80/45/802008045.db2.gz MYWJDFNYNVSTBR-MCIONIFRSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213883 802009257 /nfs/dbraw/zinc/00/92/57/802009257.db2.gz XEZPEJZDUUCASO-SYQHCUMBSA-N 2 1 281.400 -0.291 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049213883 802009266 /nfs/dbraw/zinc/00/92/66/802009266.db2.gz XEZPEJZDUUCASO-SYQHCUMBSA-N 2 1 281.400 -0.291 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049213883 802009274 /nfs/dbraw/zinc/00/92/74/802009274.db2.gz XEZPEJZDUUCASO-SYQHCUMBSA-N 2 1 281.400 -0.291 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CC(N)=O)C1 ZINC001049890230 802043851 /nfs/dbraw/zinc/04/38/51/802043851.db2.gz LKAPOWXZCXGYHZ-AVGNSLFASA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CC(N)=O)C1 ZINC001049890230 802043858 /nfs/dbraw/zinc/04/38/58/802043858.db2.gz LKAPOWXZCXGYHZ-AVGNSLFASA-N 2 1 294.399 -0.511 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(N)=O)C1 ZINC001049890230 802043863 /nfs/dbraw/zinc/04/38/63/802043863.db2.gz LKAPOWXZCXGYHZ-AVGNSLFASA-N 2 1 294.399 -0.511 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(N)=O)C1 ZINC001049890230 802043867 /nfs/dbraw/zinc/04/38/67/802043867.db2.gz LKAPOWXZCXGYHZ-AVGNSLFASA-N 2 1 294.399 -0.511 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001051869923 802169686 /nfs/dbraw/zinc/16/96/86/802169686.db2.gz YMTZMEHLTOAVCP-ZDUSSCGKSA-N 2 1 285.388 -0.454 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH2+]C(C)C)C2)C1 ZINC001051939459 802174765 /nfs/dbraw/zinc/17/47/65/802174765.db2.gz YXSRTRSPPINRND-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH2+]C(C)C)C2)C1 ZINC001051939459 802174769 /nfs/dbraw/zinc/17/47/69/802174769.db2.gz YXSRTRSPPINRND-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCO)CC2)C1 ZINC001052275518 802190649 /nfs/dbraw/zinc/19/06/49/802190649.db2.gz NFFKIQCDASDVFB-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCO)CC2)C1 ZINC001052275518 802190654 /nfs/dbraw/zinc/19/06/54/802190654.db2.gz NFFKIQCDASDVFB-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCCO)CC2)C1 ZINC001052275518 802190659 /nfs/dbraw/zinc/19/06/59/802190659.db2.gz NFFKIQCDASDVFB-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCCO)CC2)C1 ZINC001052275518 802190662 /nfs/dbraw/zinc/19/06/62/802190662.db2.gz NFFKIQCDASDVFB-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052276134 802190680 /nfs/dbraw/zinc/19/06/80/802190680.db2.gz XVAXXVPVJQTZBR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052276134 802190684 /nfs/dbraw/zinc/19/06/84/802190684.db2.gz XVAXXVPVJQTZBR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001052276134 802190688 /nfs/dbraw/zinc/19/06/88/802190688.db2.gz XVAXXVPVJQTZBR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001052276134 802190690 /nfs/dbraw/zinc/19/06/90/802190690.db2.gz XVAXXVPVJQTZBR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CCO)CC2)O1 ZINC001052488199 802200531 /nfs/dbraw/zinc/20/05/31/802200531.db2.gz GGOBKCFPRCXZBJ-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CCO)CC2)O1 ZINC001052488199 802200542 /nfs/dbraw/zinc/20/05/42/802200542.db2.gz GGOBKCFPRCXZBJ-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](CCO)CC2)O1 ZINC001052488199 802200550 /nfs/dbraw/zinc/20/05/50/802200550.db2.gz GGOBKCFPRCXZBJ-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](CCO)CC2)O1 ZINC001052488199 802200560 /nfs/dbraw/zinc/20/05/60/802200560.db2.gz GGOBKCFPRCXZBJ-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC001052677310 802213213 /nfs/dbraw/zinc/21/32/13/802213213.db2.gz PDNNKSOGJHSMQP-ZDUSSCGKSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052868739 802223151 /nfs/dbraw/zinc/22/31/51/802223151.db2.gz XNJKLJSEYDFGKD-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)C1 ZINC001052868739 802223160 /nfs/dbraw/zinc/22/31/60/802223160.db2.gz XNJKLJSEYDFGKD-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC001052868739 802223167 /nfs/dbraw/zinc/22/31/67/802223167.db2.gz XNJKLJSEYDFGKD-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052932800 802224367 /nfs/dbraw/zinc/22/43/67/802224367.db2.gz SEZZTKACKSFVGF-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)C1 ZINC001052932800 802224372 /nfs/dbraw/zinc/22/43/72/802224372.db2.gz SEZZTKACKSFVGF-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC001052932800 802224376 /nfs/dbraw/zinc/22/43/76/802224376.db2.gz SEZZTKACKSFVGF-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCO)CC2)C1 ZINC001052947353 802224488 /nfs/dbraw/zinc/22/44/88/802224488.db2.gz OFDHJDVYORDBHG-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCO)CC2)C1 ZINC001052947353 802224494 /nfs/dbraw/zinc/22/44/94/802224494.db2.gz OFDHJDVYORDBHG-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](CCO)CC2)C1 ZINC001052947353 802224497 /nfs/dbraw/zinc/22/44/97/802224497.db2.gz OFDHJDVYORDBHG-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)C1 ZINC001052947353 802224502 /nfs/dbraw/zinc/22/45/02/802224502.db2.gz OFDHJDVYORDBHG-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1[NH2+]CCO ZINC001054829764 802371917 /nfs/dbraw/zinc/37/19/17/802371917.db2.gz IZFBAXMQCBZKLT-MFKMUULPSA-N 2 1 296.371 -0.221 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216407 814934326 /nfs/dbraw/zinc/93/43/26/814934326.db2.gz PONVBHMZGVMARD-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]C ZINC001122101151 813117692 /nfs/dbraw/zinc/11/76/92/813117692.db2.gz XOUQEXPWTVVGTI-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]C ZINC001122101153 813118386 /nfs/dbraw/zinc/11/83/86/813118386.db2.gz XOUQEXPWTVVGTI-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC001122367753 813154962 /nfs/dbraw/zinc/15/49/62/813154962.db2.gz BUKDQBBXEHKADQ-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1C[N@@H+](C)CCN1C ZINC001122449126 813166694 /nfs/dbraw/zinc/16/66/94/813166694.db2.gz SSMAVCBPGSEKHR-QWRGUYRKSA-N 2 1 256.394 -0.136 20 0 CBADMP C[C@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1CN(C)CC[N@@H+]1C ZINC001122449126 813166702 /nfs/dbraw/zinc/16/67/02/813166702.db2.gz SSMAVCBPGSEKHR-QWRGUYRKSA-N 2 1 256.394 -0.136 20 0 CBADMP C[C@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1CN(C)CC[N@H+]1C ZINC001122449126 813166706 /nfs/dbraw/zinc/16/67/06/813166706.db2.gz SSMAVCBPGSEKHR-QWRGUYRKSA-N 2 1 256.394 -0.136 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC)C[C@@H]1n1ccnn1 ZINC001129337560 813837972 /nfs/dbraw/zinc/83/79/72/813837972.db2.gz NKBHELIUCKCLNL-OLZOCXBDSA-N 2 1 294.403 -0.019 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1n1ccnn1 ZINC001129337560 813837982 /nfs/dbraw/zinc/83/79/82/813837982.db2.gz NKBHELIUCKCLNL-OLZOCXBDSA-N 2 1 294.403 -0.019 20 0 CBADMP CCn1c(C)nnc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294350 814237160 /nfs/dbraw/zinc/23/71/60/814237160.db2.gz DXNRUKNXTWEYOY-UHFFFAOYSA-N 2 1 282.392 -0.236 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2ccn(C)n2)C1 ZINC001133842563 814304254 /nfs/dbraw/zinc/30/42/54/814304254.db2.gz WBFOAFUWFBEBOM-LBPRGKRZSA-N 2 1 279.388 -0.032 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccn(C)n2)C1 ZINC001133842563 814304263 /nfs/dbraw/zinc/30/42/63/814304263.db2.gz WBFOAFUWFBEBOM-LBPRGKRZSA-N 2 1 279.388 -0.032 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133834382 814304527 /nfs/dbraw/zinc/30/45/27/814304527.db2.gz VXGPGZOGQDWEOU-LBPRGKRZSA-N 2 1 294.403 -0.012 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)C(=O)NC1CC1 ZINC001133833958 814304638 /nfs/dbraw/zinc/30/46/38/814304638.db2.gz KPEBOFZQZLYEGF-NWDGAFQWSA-N 2 1 296.415 -0.156 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133834381 814305620 /nfs/dbraw/zinc/30/56/20/814305620.db2.gz VXGPGZOGQDWEOU-GFCCVEGCSA-N 2 1 294.403 -0.012 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001133834464 814305920 /nfs/dbraw/zinc/30/59/20/814305920.db2.gz YJVPXHHJPCABKU-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148469091 814945427 /nfs/dbraw/zinc/94/54/27/814945427.db2.gz BOGDYOHBPBFXKE-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(N)=O)C2 ZINC001148458701 814946227 /nfs/dbraw/zinc/94/62/27/814946227.db2.gz UGSQCGRJCXZVPN-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001148571138 814951461 /nfs/dbraw/zinc/95/14/61/814951461.db2.gz XLOARWNENFXWOD-UHFFFAOYSA-N 2 1 272.393 -0.488 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001148638701 814953747 /nfs/dbraw/zinc/95/37/47/814953747.db2.gz OBZHEUXHBJWVLK-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001148638701 814953752 /nfs/dbraw/zinc/95/37/52/814953752.db2.gz OBZHEUXHBJWVLK-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nnc(CC)n1C ZINC001148638638 814954428 /nfs/dbraw/zinc/95/44/28/814954428.db2.gz KXPNECLTQZPCEW-UHFFFAOYSA-N 2 1 296.419 -0.075 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nnc(CC)n1C ZINC001148638638 814954430 /nfs/dbraw/zinc/95/44/30/814954430.db2.gz KXPNECLTQZPCEW-UHFFFAOYSA-N 2 1 296.419 -0.075 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001148643415 814954504 /nfs/dbraw/zinc/95/45/04/814954504.db2.gz ZISGQUCQHOCYAO-JTQLQIEISA-N 2 1 258.366 -0.832 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001148639068 814954802 /nfs/dbraw/zinc/95/48/02/814954802.db2.gz ZLAPVHRCRIXLLN-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP CCCCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148638355 814955309 /nfs/dbraw/zinc/95/53/09/814955309.db2.gz FYDPRGAEVMYPQI-UHFFFAOYSA-N 2 1 286.420 -0.050 20 0 CBADMP CNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148838937 814958984 /nfs/dbraw/zinc/95/89/84/814958984.db2.gz IUVGOUKYFTXZCI-UHFFFAOYSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148838937 814958988 /nfs/dbraw/zinc/95/89/88/814958988.db2.gz IUVGOUKYFTXZCI-UHFFFAOYSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001148838937 814958995 /nfs/dbraw/zinc/95/89/95/814958995.db2.gz IUVGOUKYFTXZCI-UHFFFAOYSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001148838937 814958999 /nfs/dbraw/zinc/95/89/99/814958999.db2.gz IUVGOUKYFTXZCI-UHFFFAOYSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](C[NH2+]CCn1cncn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001321710489 803805375 /nfs/dbraw/zinc/80/53/75/803805375.db2.gz OQVWLTOBMJHBEO-CHWSQXEVSA-N 2 1 294.403 -0.286 20 0 CBADMP C[C@H](C[NH2+]CCn1cncn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001321710491 803805433 /nfs/dbraw/zinc/80/54/33/803805433.db2.gz OQVWLTOBMJHBEO-OLZOCXBDSA-N 2 1 294.403 -0.286 20 0 CBADMP C[C@@H](C[NH2+]CCn1cccn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001321811806 803819035 /nfs/dbraw/zinc/81/90/35/803819035.db2.gz KTFZKTOJQRPIIH-STQMWFEESA-N 2 1 295.387 -0.692 20 0 CBADMP C[C@@H](C[NH2+]CCn1cccn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001321811806 803819041 /nfs/dbraw/zinc/81/90/41/803819041.db2.gz KTFZKTOJQRPIIH-STQMWFEESA-N 2 1 295.387 -0.692 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001323301695 804006485 /nfs/dbraw/zinc/00/64/85/804006485.db2.gz JTTNSYRZWGDLKQ-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001323301695 804006493 /nfs/dbraw/zinc/00/64/93/804006493.db2.gz JTTNSYRZWGDLKQ-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2CCO)C1 ZINC001323301695 804006503 /nfs/dbraw/zinc/00/65/03/804006503.db2.gz JTTNSYRZWGDLKQ-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2CCO)C1 ZINC001323301695 804006512 /nfs/dbraw/zinc/00/65/12/804006512.db2.gz JTTNSYRZWGDLKQ-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP Cc1nc[nH]c1CC(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001323341171 804011459 /nfs/dbraw/zinc/01/14/59/804011459.db2.gz SWYIJHZBXJHRQV-NSHDSACASA-N 2 1 266.345 -0.166 20 0 CBADMP Cc1nc[nH]c1CC(=O)NC[C@@H]1CCN1CCCO ZINC001323341171 804011469 /nfs/dbraw/zinc/01/14/69/804011469.db2.gz SWYIJHZBXJHRQV-NSHDSACASA-N 2 1 266.345 -0.166 20 0 CBADMP Cn1cncc1CCC(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001323341143 804011640 /nfs/dbraw/zinc/01/16/40/804011640.db2.gz SGPGCZLHJQWFTE-LBPRGKRZSA-N 2 1 266.345 -0.465 20 0 CBADMP Cn1cncc1CCC(=O)NC[C@@H]1CCN1CCO ZINC001323341143 804011647 /nfs/dbraw/zinc/01/16/47/804011647.db2.gz SGPGCZLHJQWFTE-LBPRGKRZSA-N 2 1 266.345 -0.465 20 0 CBADMP CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CCO)C1)[NH+](C)C ZINC001324661400 804184700 /nfs/dbraw/zinc/18/47/00/804184700.db2.gz MSVZRXLPJIVCKW-AAEUAGOBSA-N 2 1 257.378 -0.101 20 0 CBADMP CCOCCN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001325214099 804260882 /nfs/dbraw/zinc/26/08/82/804260882.db2.gz MWZIKHZCQIMXLV-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP Cc1ccc(NCCCNC(=O)C(=O)NC[C@@H](C)[NH3+])[nH+]c1 ZINC001325399183 804283774 /nfs/dbraw/zinc/28/37/74/804283774.db2.gz JZSQCNCDQLZARM-LLVKDONJSA-N 2 1 293.371 -0.228 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001325734593 804310947 /nfs/dbraw/zinc/31/09/47/804310947.db2.gz ORWPHLUSGCLDMC-UPJWGTAASA-N 2 1 296.415 -0.156 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH+](CCO)CCCO2)C1 ZINC001150598345 815037275 /nfs/dbraw/zinc/03/72/75/815037275.db2.gz ZTHDVMBIZMLJOB-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2C[N@H+](CCO)CCCO2)C1 ZINC001150598345 815037282 /nfs/dbraw/zinc/03/72/82/815037282.db2.gz ZTHDVMBIZMLJOB-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001150598345 815037288 /nfs/dbraw/zinc/03/72/88/815037288.db2.gz ZTHDVMBIZMLJOB-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150715357 815041589 /nfs/dbraw/zinc/04/15/89/815041589.db2.gz JURVOJTZYRDNRK-CYBMUJFWSA-N 2 1 285.388 -0.718 20 0 CBADMP COCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714970 815041755 /nfs/dbraw/zinc/04/17/55/815041755.db2.gz JBOIFYLZHDXFAJ-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049379 815051613 /nfs/dbraw/zinc/05/16/13/815051613.db2.gz MTZDZZQZOWTCKT-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCCO[C@@H]2CCOC2)C1 ZINC001151065691 815056766 /nfs/dbraw/zinc/05/67/66/815056766.db2.gz MVAWXHSTFAZTFI-UONOGXRCSA-N 2 1 299.415 -0.161 20 0 CBADMP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048442 815052366 /nfs/dbraw/zinc/05/23/66/815052366.db2.gz BBYYASNMYVWEEB-CYBMUJFWSA-N 2 1 296.415 -0.488 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049200 815052851 /nfs/dbraw/zinc/05/28/51/815052851.db2.gz JYMLRKZKTHSJOV-LBPRGKRZSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151064648 815054517 /nfs/dbraw/zinc/05/45/17/815054517.db2.gz CNYZYWSBIWBBSZ-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ncnn2CCF)C1 ZINC001151049588 815054813 /nfs/dbraw/zinc/05/48/13/815054813.db2.gz SUGSFALPHZAZDK-NSHDSACASA-N 2 1 298.366 -0.595 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ncnn2CCF)C1 ZINC001151049588 815054820 /nfs/dbraw/zinc/05/48/20/815054820.db2.gz SUGSFALPHZAZDK-NSHDSACASA-N 2 1 298.366 -0.595 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001151056627 815054921 /nfs/dbraw/zinc/05/49/21/815054921.db2.gz OHXJVOMXWLQZJX-NSHDSACASA-N 2 1 292.387 -0.160 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001151056627 815054924 /nfs/dbraw/zinc/05/49/24/815054924.db2.gz OHXJVOMXWLQZJX-NSHDSACASA-N 2 1 292.387 -0.160 20 0 CBADMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001151049575 815055177 /nfs/dbraw/zinc/05/51/77/815055177.db2.gz SJHSFFRMZDXBKH-LLVKDONJSA-N 2 1 293.371 -0.357 20 0 CBADMP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049415 815055336 /nfs/dbraw/zinc/05/53/36/815055336.db2.gz NVODKBLVPKJGAL-GFCCVEGCSA-N 2 1 294.403 -0.236 20 0 CBADMP CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151064650 815055544 /nfs/dbraw/zinc/05/55/44/815055544.db2.gz CNYZYWSBIWBBSZ-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001151066087 815056342 /nfs/dbraw/zinc/05/63/42/815056342.db2.gz PRTYTVZEMHOAHI-GFCCVEGCSA-N 2 1 282.388 -0.734 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001151066780 815057696 /nfs/dbraw/zinc/05/76/96/815057696.db2.gz YPRWQHWEYMQNCY-WDEREUQCSA-N 2 1 270.377 -0.879 20 0 CBADMP CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073935 815058427 /nfs/dbraw/zinc/05/84/27/815058427.db2.gz SSPBUMNAFYIFML-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC(CC)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073784 815059049 /nfs/dbraw/zinc/05/90/49/815059049.db2.gz PUXXJWGSUZBNLZ-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)n1 ZINC001151098361 815062303 /nfs/dbraw/zinc/06/23/03/815062303.db2.gz YFUPVIPVCAXCEA-UHFFFAOYSA-N 2 1 265.361 -0.278 20 0 CBADMP CCCCNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147420 815064035 /nfs/dbraw/zinc/06/40/35/815064035.db2.gz MXHGMAANVJEAGP-UHFFFAOYSA-N 2 1 295.387 -0.186 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1cncn1C ZINC001151147588 815064104 /nfs/dbraw/zinc/06/41/04/815064104.db2.gz RSWWTMRNSBMWOF-UHFFFAOYSA-N 2 1 276.344 -0.169 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001151147854 815064966 /nfs/dbraw/zinc/06/49/66/815064966.db2.gz ZNRVLCBMOKPBQZ-UHFFFAOYSA-N 2 1 293.371 -0.576 20 0 CBADMP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578576 805315414 /nfs/dbraw/zinc/31/54/14/805315414.db2.gz MTOIUTNFTYBDHL-QWHCGFSZSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578576 805315423 /nfs/dbraw/zinc/31/54/23/805315423.db2.gz MTOIUTNFTYBDHL-QWHCGFSZSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072578576 805315432 /nfs/dbraw/zinc/31/54/32/805315432.db2.gz MTOIUTNFTYBDHL-QWHCGFSZSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072578576 805315441 /nfs/dbraw/zinc/31/54/41/805315441.db2.gz MTOIUTNFTYBDHL-QWHCGFSZSA-N 2 1 297.399 -0.768 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CCCO)C3)C1 ZINC001072580616 805317915 /nfs/dbraw/zinc/31/79/15/805317915.db2.gz GACLWCDJJMAZOD-ZDUSSCGKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CCCO)C3)C1 ZINC001072580616 805317926 /nfs/dbraw/zinc/31/79/26/805317926.db2.gz GACLWCDJJMAZOD-ZDUSSCGKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@H+](CCCO)C3)C1 ZINC001072580616 805317937 /nfs/dbraw/zinc/31/79/37/805317937.db2.gz GACLWCDJJMAZOD-ZDUSSCGKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCCO)C3)C1 ZINC001072580616 805317947 /nfs/dbraw/zinc/31/79/47/805317947.db2.gz GACLWCDJJMAZOD-ZDUSSCGKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)CCC1 ZINC001072812294 805337835 /nfs/dbraw/zinc/33/78/35/805337835.db2.gz ZXMALKDWOBEYPP-UHFFFAOYSA-N 2 1 281.400 -0.003 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072981958 805352076 /nfs/dbraw/zinc/35/20/76/805352076.db2.gz WURLXZSZJVERCV-OLZOCXBDSA-N 2 1 281.400 -0.289 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072981958 805352086 /nfs/dbraw/zinc/35/20/86/805352086.db2.gz WURLXZSZJVERCV-OLZOCXBDSA-N 2 1 281.400 -0.289 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072981958 805352097 /nfs/dbraw/zinc/35/20/97/805352097.db2.gz WURLXZSZJVERCV-OLZOCXBDSA-N 2 1 281.400 -0.289 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072979606 805354446 /nfs/dbraw/zinc/35/44/46/805354446.db2.gz FMFIJVACLZBZAG-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072979606 805354454 /nfs/dbraw/zinc/35/44/54/805354454.db2.gz FMFIJVACLZBZAG-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072979606 805354465 /nfs/dbraw/zinc/35/44/65/805354465.db2.gz FMFIJVACLZBZAG-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001072983337 805354550 /nfs/dbraw/zinc/35/45/50/805354550.db2.gz SCVCBVKIFXVLCR-ZDUSSCGKSA-N 2 1 281.400 -0.145 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC3(C2)CC[N@H+](CCO)C3)C1 ZINC001072983337 805354560 /nfs/dbraw/zinc/35/45/60/805354560.db2.gz SCVCBVKIFXVLCR-ZDUSSCGKSA-N 2 1 281.400 -0.145 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1 ZINC001072983337 805354568 /nfs/dbraw/zinc/35/45/68/805354568.db2.gz SCVCBVKIFXVLCR-ZDUSSCGKSA-N 2 1 281.400 -0.145 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073431063 805370080 /nfs/dbraw/zinc/37/00/80/805370080.db2.gz QIIKHGFZVYUCCE-LBPRGKRZSA-N 2 1 294.399 -0.510 20 0 CBADMP CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073563701 805386814 /nfs/dbraw/zinc/38/68/14/805386814.db2.gz HSDBVLPFSPURFB-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073563701 805386823 /nfs/dbraw/zinc/38/68/23/805386823.db2.gz HSDBVLPFSPURFB-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073563701 805386833 /nfs/dbraw/zinc/38/68/33/805386833.db2.gz HSDBVLPFSPURFB-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073563701 805386844 /nfs/dbraw/zinc/38/68/44/805386844.db2.gz HSDBVLPFSPURFB-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073891324 805421704 /nfs/dbraw/zinc/42/17/04/805421704.db2.gz OJUIZOYRTAVJQT-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@H+](CCCO)CCCO2)C1 ZINC001073891324 805421710 /nfs/dbraw/zinc/42/17/10/805421710.db2.gz OJUIZOYRTAVJQT-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@@H+](CCCO)CCCO2)C1 ZINC001073891324 805421717 /nfs/dbraw/zinc/42/17/17/805421717.db2.gz OJUIZOYRTAVJQT-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C ZINC001074746044 805469624 /nfs/dbraw/zinc/46/96/24/805469624.db2.gz KQVMZXXNPLOKPF-SRVKXCTJSA-N 2 1 293.371 -0.356 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001075042322 805481651 /nfs/dbraw/zinc/48/16/51/805481651.db2.gz KKOCVXHEIAEECE-SRVKXCTJSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001076146486 805555766 /nfs/dbraw/zinc/55/57/66/805555766.db2.gz UZINKSWJAKNBKA-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076146486 805555772 /nfs/dbraw/zinc/55/57/72/805555772.db2.gz UZINKSWJAKNBKA-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076146486 805555779 /nfs/dbraw/zinc/55/57/79/805555779.db2.gz UZINKSWJAKNBKA-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCCOC)C1 ZINC001151739820 815088918 /nfs/dbraw/zinc/08/89/18/815088918.db2.gz NUGFYBLPMLOCFK-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCCOC)C1 ZINC001151739820 815088924 /nfs/dbraw/zinc/08/89/24/815088924.db2.gz NUGFYBLPMLOCFK-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001151738437 815090586 /nfs/dbraw/zinc/09/05/86/815090586.db2.gz IDUMBTYYQIOBLE-STQMWFEESA-N 2 1 285.388 -0.551 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001151738437 815090591 /nfs/dbraw/zinc/09/05/91/815090591.db2.gz IDUMBTYYQIOBLE-STQMWFEESA-N 2 1 285.388 -0.551 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001151740661 815090920 /nfs/dbraw/zinc/09/09/20/815090920.db2.gz WPWJTMTVFQDAMB-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001151740661 815090926 /nfs/dbraw/zinc/09/09/26/815090926.db2.gz WPWJTMTVFQDAMB-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001152138147 815106275 /nfs/dbraw/zinc/10/62/75/815106275.db2.gz SPDRGWPKNDYOSF-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001152138147 815106276 /nfs/dbraw/zinc/10/62/76/815106276.db2.gz SPDRGWPKNDYOSF-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152386243 815119469 /nfs/dbraw/zinc/11/94/69/815119469.db2.gz FXZGSKZIAGXMKF-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152386243 815119472 /nfs/dbraw/zinc/11/94/72/815119472.db2.gz FXZGSKZIAGXMKF-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152386243 815119474 /nfs/dbraw/zinc/11/94/74/815119474.db2.gz FXZGSKZIAGXMKF-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152386243 815119477 /nfs/dbraw/zinc/11/94/77/815119477.db2.gz FXZGSKZIAGXMKF-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)C[N@@H+](C)C(C)C)C(N)=O ZINC001152431753 815120799 /nfs/dbraw/zinc/12/07/99/815120799.db2.gz DDXHYNNFOMQWMC-JTQLQIEISA-N 2 1 258.366 -0.704 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001152433263 815121103 /nfs/dbraw/zinc/12/11/03/815121103.db2.gz ZYUGQSYHYIOSGY-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001152439142 815121119 /nfs/dbraw/zinc/12/11/19/815121119.db2.gz AIKQSBOGYCQUJH-UHFFFAOYSA-N 2 1 268.365 -0.639 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001152432535 815121145 /nfs/dbraw/zinc/12/11/45/815121145.db2.gz JWLSTCBVNHPPLB-UHFFFAOYSA-N 2 1 293.433 -0.533 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001152439279 815121224 /nfs/dbraw/zinc/12/12/24/815121224.db2.gz HFYGQFACVWYGFO-UHFFFAOYSA-N 2 1 270.377 -0.689 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001152426881 815121909 /nfs/dbraw/zinc/12/19/09/815121909.db2.gz PHBYYBPESGYECI-UHFFFAOYSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001152452096 815122698 /nfs/dbraw/zinc/12/26/98/815122698.db2.gz SDTIMZWZVIUPSP-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001152452097 815123094 /nfs/dbraw/zinc/12/30/94/815123094.db2.gz SDTIMZWZVIUPSP-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001152451990 815123165 /nfs/dbraw/zinc/12/31/65/815123165.db2.gz PCTVVAVTSYAHQN-CYBMUJFWSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001152451915 815123288 /nfs/dbraw/zinc/12/32/88/815123288.db2.gz MACPZQNZRGHKPJ-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001152459120 815124094 /nfs/dbraw/zinc/12/40/94/815124094.db2.gz ZDADISFPNKRLRH-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP C[NH+](C)[C@H](C(=O)NCC[NH2+]CCO)c1ccccc1 ZINC001152528370 815129090 /nfs/dbraw/zinc/12/90/90/815129090.db2.gz FPRIVCMGWCPGAA-ZDUSSCGKSA-N 2 1 265.357 -0.013 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001153315118 815157002 /nfs/dbraw/zinc/15/70/02/815157002.db2.gz YBSNWQNUOXQDTL-UHFFFAOYSA-N 2 1 292.383 -0.430 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001153315118 815157005 /nfs/dbraw/zinc/15/70/05/815157005.db2.gz YBSNWQNUOXQDTL-UHFFFAOYSA-N 2 1 292.383 -0.430 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824352 815179675 /nfs/dbraw/zinc/17/96/75/815179675.db2.gz QZVALUVXYXLBRV-ZWNOBZJWSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824352 815179679 /nfs/dbraw/zinc/17/96/79/815179679.db2.gz QZVALUVXYXLBRV-ZWNOBZJWSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904441 815249329 /nfs/dbraw/zinc/24/93/29/815249329.db2.gz RFDXQGVLTVTXII-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904441 815249333 /nfs/dbraw/zinc/24/93/33/815249333.db2.gz RFDXQGVLTVTXII-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904023 815248816 /nfs/dbraw/zinc/24/88/16/815248816.db2.gz LNJOOICFRLBTIJ-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904023 815248821 /nfs/dbraw/zinc/24/88/21/815248821.db2.gz LNJOOICFRLBTIJ-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005397 815256158 /nfs/dbraw/zinc/25/61/58/815256158.db2.gz LTPFTJIUAKAPLX-CYBMUJFWSA-N 2 1 289.420 -0.226 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066447 815259833 /nfs/dbraw/zinc/25/98/33/815259833.db2.gz JIPCGDSHNNEZLA-DGCLKSJQSA-N 2 1 286.420 -0.116 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066447 815259842 /nfs/dbraw/zinc/25/98/42/815259842.db2.gz JIPCGDSHNNEZLA-DGCLKSJQSA-N 2 1 286.420 -0.116 20 0 CBADMP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ncnc3c2C[NH2+]C3)N1 ZINC001155573155 815296890 /nfs/dbraw/zinc/29/68/90/815296890.db2.gz YPXCUEWHZLXVJC-SKDRFNHKSA-N 2 1 260.301 -0.930 20 0 CBADMP CCn1ncc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001155790714 815311448 /nfs/dbraw/zinc/31/14/48/815311448.db2.gz MUKFWGQXQXFMHK-CYBMUJFWSA-N 2 1 294.403 -0.012 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001155795581 815312427 /nfs/dbraw/zinc/31/24/27/815312427.db2.gz JADRKGRZPWXMPU-GFCCVEGCSA-N 2 1 273.377 -0.815 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCn2cccn2)C1 ZINC001156126380 815339244 /nfs/dbraw/zinc/33/92/44/815339244.db2.gz XUZQXFSRTYWCMT-ZDUSSCGKSA-N 2 1 295.387 -0.690 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCn2cccn2)C1 ZINC001156126380 815339251 /nfs/dbraw/zinc/33/92/51/815339251.db2.gz XUZQXFSRTYWCMT-ZDUSSCGKSA-N 2 1 295.387 -0.690 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCOCC2CC2)C1 ZINC001156124971 815339264 /nfs/dbraw/zinc/33/92/64/815339264.db2.gz CURNBJJBQRKBFW-AWEZNQCLSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCOCC2CC2)C1 ZINC001156124971 815339271 /nfs/dbraw/zinc/33/92/71/815339271.db2.gz CURNBJJBQRKBFW-AWEZNQCLSA-N 2 1 299.415 -0.161 20 0 CBADMP CC(C)OCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156125123 815339506 /nfs/dbraw/zinc/33/95/06/815339506.db2.gz IGVQJAPIQUVFHG-CYBMUJFWSA-N 2 1 287.404 -0.162 20 0 CBADMP CC(C)OCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156125123 815339512 /nfs/dbraw/zinc/33/95/12/815339512.db2.gz IGVQJAPIQUVFHG-CYBMUJFWSA-N 2 1 287.404 -0.162 20 0 CBADMP Cn1ccnc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156145520 815340336 /nfs/dbraw/zinc/34/03/36/815340336.db2.gz MPEAYTGFRSGFHJ-GFCCVEGCSA-N 2 1 295.387 -0.653 20 0 CBADMP Cn1ccnc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156145520 815340342 /nfs/dbraw/zinc/34/03/42/815340342.db2.gz MPEAYTGFRSGFHJ-GFCCVEGCSA-N 2 1 295.387 -0.653 20 0 CBADMP Cn1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001156145782 815341141 /nfs/dbraw/zinc/34/11/41/815341141.db2.gz PZAFOMYFMAOCIC-ZDUSSCGKSA-N 2 1 295.387 -0.653 20 0 CBADMP Cn1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001156145782 815341144 /nfs/dbraw/zinc/34/11/44/815341144.db2.gz PZAFOMYFMAOCIC-ZDUSSCGKSA-N 2 1 295.387 -0.653 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001086122482 810243341 /nfs/dbraw/zinc/24/33/41/810243341.db2.gz MUIDTEIIVKIPCB-WUHRBBMRSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001086270787 810253400 /nfs/dbraw/zinc/25/34/00/810253400.db2.gz UDKAAJGLMQKUMG-SDDRHHMPSA-N 2 1 255.362 -0.585 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001086277131 810254764 /nfs/dbraw/zinc/25/47/64/810254764.db2.gz SQTFVEYEPFGCKR-FQUUOJAGSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001086277131 810254767 /nfs/dbraw/zinc/25/47/67/810254767.db2.gz SQTFVEYEPFGCKR-FQUUOJAGSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001086277134 810255094 /nfs/dbraw/zinc/25/50/94/810255094.db2.gz SQTFVEYEPFGCKR-YIYPIFLZSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001086277134 810255099 /nfs/dbraw/zinc/25/50/99/810255099.db2.gz SQTFVEYEPFGCKR-YIYPIFLZSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001086277242 810255142 /nfs/dbraw/zinc/25/51/42/810255142.db2.gz YQIZNWXXBKSCSZ-FRRDWIJNSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001086277242 810255145 /nfs/dbraw/zinc/25/51/45/810255145.db2.gz YQIZNWXXBKSCSZ-FRRDWIJNSA-N 2 1 285.388 -0.816 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086327434 810260988 /nfs/dbraw/zinc/26/09/88/810260988.db2.gz DUZZJJKOQIZKMI-LPWJVIDDSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001086324554 810261086 /nfs/dbraw/zinc/26/10/86/810261086.db2.gz CSFVMNXUUGOETQ-FIQHERPVSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086476798 810273646 /nfs/dbraw/zinc/27/36/46/810273646.db2.gz DUZDDLLIMKLGNY-CYDGBPFRSA-N 2 1 269.389 -0.339 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086551867 810278922 /nfs/dbraw/zinc/27/89/22/810278922.db2.gz OCUYRVLWDUCHTA-FVCCEPFGSA-N 2 1 269.389 -0.197 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001086552041 810279042 /nfs/dbraw/zinc/27/90/42/810279042.db2.gz UDKAAJGLMQKUMG-SRVKXCTJSA-N 2 1 255.362 -0.585 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001086556506 810280376 /nfs/dbraw/zinc/28/03/76/810280376.db2.gz YQIZNWXXBKSCSZ-AVGNSLFASA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001086556506 810280379 /nfs/dbraw/zinc/28/03/79/810280379.db2.gz YQIZNWXXBKSCSZ-AVGNSLFASA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156403918 815357490 /nfs/dbraw/zinc/35/74/90/815357490.db2.gz SWNXUSQKGWICDJ-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156403918 815357494 /nfs/dbraw/zinc/35/74/94/815357494.db2.gz SWNXUSQKGWICDJ-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCO)C2)C1 ZINC001086879981 810287794 /nfs/dbraw/zinc/28/77/94/810287794.db2.gz HCQHLIHIFPCMOZ-MJBXVCDLSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCO)C2)C1 ZINC001086879981 810287801 /nfs/dbraw/zinc/28/78/01/810287801.db2.gz HCQHLIHIFPCMOZ-MJBXVCDLSA-N 2 1 299.415 -0.426 20 0 CBADMP NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088200991 810322232 /nfs/dbraw/zinc/32/22/32/810322232.db2.gz FMKTUHSYWGRLAA-OLZOCXBDSA-N 2 1 294.399 -0.652 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001088835960 810360515 /nfs/dbraw/zinc/36/05/15/810360515.db2.gz XOMZGXZDUJQCRI-YPMHNXCESA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001088835960 810360522 /nfs/dbraw/zinc/36/05/22/810360522.db2.gz XOMZGXZDUJQCRI-YPMHNXCESA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCO ZINC001089039144 810373995 /nfs/dbraw/zinc/37/39/95/810373995.db2.gz XYZFLSBHVPWJAN-UTUOFQBUSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCO ZINC001089039144 810374004 /nfs/dbraw/zinc/37/40/04/810374004.db2.gz XYZFLSBHVPWJAN-UTUOFQBUSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCO ZINC001089039144 810374011 /nfs/dbraw/zinc/37/40/11/810374011.db2.gz XYZFLSBHVPWJAN-UTUOFQBUSA-N 2 1 255.362 -0.491 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCO)C1 ZINC001090956900 810582374 /nfs/dbraw/zinc/58/23/74/810582374.db2.gz NLDVMKVOWUBUIO-HTAVTVPLSA-N 2 1 255.362 -0.443 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091378917 810605269 /nfs/dbraw/zinc/60/52/69/810605269.db2.gz ZDHLEDKXORRMJG-BPCQOVAHSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCO)C[C@@]3(C)C2)C1 ZINC001091565379 810613323 /nfs/dbraw/zinc/61/33/23/810613323.db2.gz MVYXHOFNXNQHFJ-IPYPFGDCSA-N 2 1 297.399 -0.910 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCO)C[C@@]3(C)C2)C1 ZINC001091565379 810613325 /nfs/dbraw/zinc/61/33/25/810613325.db2.gz MVYXHOFNXNQHFJ-IPYPFGDCSA-N 2 1 297.399 -0.910 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CCO)C[C@@]3(C)C2)C1 ZINC001091565379 810613326 /nfs/dbraw/zinc/61/33/26/810613326.db2.gz MVYXHOFNXNQHFJ-IPYPFGDCSA-N 2 1 297.399 -0.910 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CCO)C[C@@]3(C)C2)C1 ZINC001091565379 810613327 /nfs/dbraw/zinc/61/33/27/810613327.db2.gz MVYXHOFNXNQHFJ-IPYPFGDCSA-N 2 1 297.399 -0.910 20 0 CBADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001092022111 810618989 /nfs/dbraw/zinc/61/89/89/810618989.db2.gz NTFFTOYXJDJKQK-XUJVJEKNSA-N 2 1 296.415 -0.408 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092273652 810627398 /nfs/dbraw/zinc/62/73/98/810627398.db2.gz PAAWOAIZAIWNPI-JMSVASOKSA-N 2 1 294.399 -0.796 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092273652 810627406 /nfs/dbraw/zinc/62/74/06/810627406.db2.gz PAAWOAIZAIWNPI-JMSVASOKSA-N 2 1 294.399 -0.796 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092273652 810627413 /nfs/dbraw/zinc/62/74/13/810627413.db2.gz PAAWOAIZAIWNPI-JMSVASOKSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195354 810647746 /nfs/dbraw/zinc/64/77/46/810647746.db2.gz OBVILVZGUUCWKN-GRYCIOLGSA-N 2 1 282.388 -0.893 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093195354 810647749 /nfs/dbraw/zinc/64/77/49/810647749.db2.gz OBVILVZGUUCWKN-GRYCIOLGSA-N 2 1 282.388 -0.893 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093195354 810647751 /nfs/dbraw/zinc/64/77/51/810647751.db2.gz OBVILVZGUUCWKN-GRYCIOLGSA-N 2 1 282.388 -0.893 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156882715 815387042 /nfs/dbraw/zinc/38/70/42/815387042.db2.gz KJRARURBKRZXNZ-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156882715 815387050 /nfs/dbraw/zinc/38/70/50/815387050.db2.gz KJRARURBKRZXNZ-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156882715 815387056 /nfs/dbraw/zinc/38/70/56/815387056.db2.gz KJRARURBKRZXNZ-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156882715 815387061 /nfs/dbraw/zinc/38/70/61/815387061.db2.gz KJRARURBKRZXNZ-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890774 815388643 /nfs/dbraw/zinc/38/86/43/815388643.db2.gz SGVOIKVMLCLUHK-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890774 815388651 /nfs/dbraw/zinc/38/86/51/815388651.db2.gz SGVOIKVMLCLUHK-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[NH+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890774 815388659 /nfs/dbraw/zinc/38/86/59/815388659.db2.gz SGVOIKVMLCLUHK-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[NH+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890774 815388665 /nfs/dbraw/zinc/38/86/65/815388665.db2.gz SGVOIKVMLCLUHK-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890592 815388952 /nfs/dbraw/zinc/38/89/52/815388952.db2.gz PSLMMPOBNCTXPC-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](CCO)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890592 815388956 /nfs/dbraw/zinc/38/89/56/815388956.db2.gz PSLMMPOBNCTXPC-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](CCO)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890592 815388960 /nfs/dbraw/zinc/38/89/60/815388960.db2.gz PSLMMPOBNCTXPC-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2=O)C1 ZINC001094713587 810727112 /nfs/dbraw/zinc/72/71/12/810727112.db2.gz DIPYLPXJDRCVDM-AAEUAGOBSA-N 2 1 294.399 -0.498 20 0 CBADMP CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2=O)C1 ZINC001094713587 810727117 /nfs/dbraw/zinc/72/71/17/810727117.db2.gz DIPYLPXJDRCVDM-AAEUAGOBSA-N 2 1 294.399 -0.498 20 0 CBADMP CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094814635 810732915 /nfs/dbraw/zinc/73/29/15/810732915.db2.gz HGQWHJTWRKYZQG-VXGBXAGGSA-N 2 1 294.399 -0.641 20 0 CBADMP CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094814635 810732918 /nfs/dbraw/zinc/73/29/18/810732918.db2.gz HGQWHJTWRKYZQG-VXGBXAGGSA-N 2 1 294.399 -0.641 20 0 CBADMP CS(=O)(=O)N(CC[NH3+])C(=O)c1ccc2[nH]c(N)[nH+]c2c1 ZINC001156964642 815393502 /nfs/dbraw/zinc/39/35/02/815393502.db2.gz OLFCCDYTDBWJMW-UHFFFAOYSA-N 2 1 297.340 -0.494 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001097551341 810806116 /nfs/dbraw/zinc/80/61/16/810806116.db2.gz GHUCLPWXDFYAMT-UPJWGTAASA-N 2 1 278.356 -0.095 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001097551341 810806122 /nfs/dbraw/zinc/80/61/22/810806122.db2.gz GHUCLPWXDFYAMT-UPJWGTAASA-N 2 1 278.356 -0.095 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CCCO)C[C@H]1O)C1CCC1 ZINC001099879963 810958631 /nfs/dbraw/zinc/95/86/31/810958631.db2.gz SLVWHZKEBZJZQW-ZIAGYGMSSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)C1CCC1 ZINC001099879963 810958640 /nfs/dbraw/zinc/95/86/40/810958640.db2.gz SLVWHZKEBZJZQW-ZIAGYGMSSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O)C1CCC1 ZINC001099879963 810958648 /nfs/dbraw/zinc/95/86/48/810958648.db2.gz SLVWHZKEBZJZQW-ZIAGYGMSSA-N 2 1 299.415 -0.596 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872803 810959454 /nfs/dbraw/zinc/95/94/54/810959454.db2.gz ZPLOPKWIZFCGQV-STQMWFEESA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CCCO)C[C@@H]1O)C1CCC1 ZINC001099879961 810960183 /nfs/dbraw/zinc/96/01/83/810960183.db2.gz SLVWHZKEBZJZQW-KGLIPLIRSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)C1CCC1 ZINC001099879961 810960190 /nfs/dbraw/zinc/96/01/90/810960190.db2.gz SLVWHZKEBZJZQW-KGLIPLIRSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O)C1CCC1 ZINC001099879961 810960196 /nfs/dbraw/zinc/96/01/96/810960196.db2.gz SLVWHZKEBZJZQW-KGLIPLIRSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)CC1 ZINC001099971585 810979547 /nfs/dbraw/zinc/97/95/47/810979547.db2.gz JZEHSIXFFGVYPA-RYUDHWBXSA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)CC1 ZINC001099971585 810979553 /nfs/dbraw/zinc/97/95/53/810979553.db2.gz JZEHSIXFFGVYPA-RYUDHWBXSA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)CC1 ZINC001099971411 810980230 /nfs/dbraw/zinc/98/02/30/810980230.db2.gz HJXKKYGRLFSAHD-CHWSQXEVSA-N 2 1 299.415 -0.738 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974668 810981191 /nfs/dbraw/zinc/98/11/91/810981191.db2.gz SWPZEHSYOKTJCH-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099973697 810982089 /nfs/dbraw/zinc/98/20/89/810982089.db2.gz HOBKHGPQEDHFFO-NEPJUHHUSA-N 2 1 275.368 -0.151 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099973697 810982094 /nfs/dbraw/zinc/98/20/94/810982094.db2.gz HOBKHGPQEDHFFO-NEPJUHHUSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973343 810982197 /nfs/dbraw/zinc/98/21/97/810982197.db2.gz BIYJNKXTLONVPX-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986396 810984096 /nfs/dbraw/zinc/98/40/96/810984096.db2.gz KFSMIAXDZWUFQU-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099987367 810985394 /nfs/dbraw/zinc/98/53/94/810985394.db2.gz ZCFSYQVIDUPIHE-WDEREUQCSA-N 2 1 261.341 -0.541 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099987367 810985398 /nfs/dbraw/zinc/98/53/98/810985398.db2.gz ZCFSYQVIDUPIHE-WDEREUQCSA-N 2 1 261.341 -0.541 20 0 CBADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036550 810998304 /nfs/dbraw/zinc/99/83/04/810998304.db2.gz IPRSGBXNCMJNHZ-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036550 810998312 /nfs/dbraw/zinc/99/83/12/810998312.db2.gz IPRSGBXNCMJNHZ-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001100041900 811005092 /nfs/dbraw/zinc/00/50/92/811005092.db2.gz PTJJYXPVOFFIGW-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100073474 811014229 /nfs/dbraw/zinc/01/42/29/811014229.db2.gz CQQBGEBYOCXBOG-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001100076356 811014250 /nfs/dbraw/zinc/01/42/50/811014250.db2.gz KCROOEZYSMDMOQ-VXGBXAGGSA-N 2 1 291.367 -0.915 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001100076356 811014254 /nfs/dbraw/zinc/01/42/54/811014254.db2.gz KCROOEZYSMDMOQ-VXGBXAGGSA-N 2 1 291.367 -0.915 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001100076353 811014304 /nfs/dbraw/zinc/01/43/04/811014304.db2.gz KCROOEZYSMDMOQ-NEPJUHHUSA-N 2 1 291.367 -0.915 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001100076353 811014310 /nfs/dbraw/zinc/01/43/10/811014310.db2.gz KCROOEZYSMDMOQ-NEPJUHHUSA-N 2 1 291.367 -0.915 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100077242 811015830 /nfs/dbraw/zinc/01/58/30/811015830.db2.gz ZIRWYRLZZKQGAO-OLZOCXBDSA-N 2 1 287.404 -0.738 20 0 CBADMP COCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109921 811022202 /nfs/dbraw/zinc/02/22/02/811022202.db2.gz MSEGGPRHCKCMJK-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100127783 811026106 /nfs/dbraw/zinc/02/61/06/811026106.db2.gz YUOWAWGBWGEECZ-KGLIPLIRSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100419513 811056157 /nfs/dbraw/zinc/05/61/57/811056157.db2.gz VOBOYPBIHBOMEZ-WXRRBKDZSA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001100446850 811057460 /nfs/dbraw/zinc/05/74/60/811057460.db2.gz DDMHHFVFDXVOOG-BPCQOVAHSA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001100873121 811082600 /nfs/dbraw/zinc/08/26/00/811082600.db2.gz VFHIBFRSNJFGHL-VOMCLLRMSA-N 2 1 282.388 -0.702 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001157323871 815423476 /nfs/dbraw/zinc/42/34/76/815423476.db2.gz YXYVGLHBMFAUKN-QWHCGFSZSA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102290658 811147789 /nfs/dbraw/zinc/14/77/89/811147789.db2.gz OVOZFIRGCNHLIW-CHWSQXEVSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102319076 811152147 /nfs/dbraw/zinc/15/21/47/811152147.db2.gz XSYBLMSHTKKMNL-IJLUTSLNSA-N 2 1 284.404 -0.504 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001102366947 811152385 /nfs/dbraw/zinc/15/23/85/811152385.db2.gz VWTFIDLJRLJCTA-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001102366947 811152393 /nfs/dbraw/zinc/15/23/93/811152393.db2.gz VWTFIDLJRLJCTA-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001102366947 811152397 /nfs/dbraw/zinc/15/23/97/811152397.db2.gz VWTFIDLJRLJCTA-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320796 811152887 /nfs/dbraw/zinc/15/28/87/811152887.db2.gz SYWKBTVZQUZVNP-VXGBXAGGSA-N 2 1 257.378 -0.386 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102782976 811168145 /nfs/dbraw/zinc/16/81/45/811168145.db2.gz SDWZMFFIGVYZKI-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102782976 811168153 /nfs/dbraw/zinc/16/81/53/811168153.db2.gz SDWZMFFIGVYZKI-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102782976 811168160 /nfs/dbraw/zinc/16/81/60/811168160.db2.gz SDWZMFFIGVYZKI-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103719033 811185215 /nfs/dbraw/zinc/18/52/15/811185215.db2.gz ODZHCPABTTVROU-JHJVBQTASA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103719033 811185220 /nfs/dbraw/zinc/18/52/20/811185220.db2.gz ODZHCPABTTVROU-JHJVBQTASA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103719033 811185224 /nfs/dbraw/zinc/18/52/24/811185224.db2.gz ODZHCPABTTVROU-JHJVBQTASA-N 2 1 296.415 -0.502 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001103663743 811185967 /nfs/dbraw/zinc/18/59/67/811185967.db2.gz RKQYLCAKVHFXFE-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001103663743 811185972 /nfs/dbraw/zinc/18/59/72/811185972.db2.gz RKQYLCAKVHFXFE-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001103663743 811185977 /nfs/dbraw/zinc/18/59/77/811185977.db2.gz RKQYLCAKVHFXFE-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001318507357 817117324 /nfs/dbraw/zinc/11/73/24/817117324.db2.gz QNCUUILDYVTJML-ZJUUUORDSA-N 2 1 256.350 -0.950 20 0 CBADMP CN(CCO)c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001157385996 815429841 /nfs/dbraw/zinc/42/98/41/815429841.db2.gz PTODIMPCJNTPBG-UHFFFAOYSA-N 2 1 251.334 -0.167 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2CC[NH2+]C[C@H]2F)n[nH]1 ZINC001157440373 815434226 /nfs/dbraw/zinc/43/42/26/815434226.db2.gz UNTREHHUKRGWFE-HTQZYQBOSA-N 2 1 268.296 -0.108 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])C(=O)C2(N)CC[NH2+]CC2)n[nH]1 ZINC001157439551 815434536 /nfs/dbraw/zinc/43/45/36/815434536.db2.gz JZVRPLGHLWEFCM-UHFFFAOYSA-N 2 1 265.321 -0.975 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(N)=O ZINC001105946026 811282381 /nfs/dbraw/zinc/28/23/81/811282381.db2.gz JGDDYSSZZYREJW-UTUOFQBUSA-N 2 1 282.388 -0.750 20 0 CBADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[NH+](C)CC1 ZINC001157450634 815435867 /nfs/dbraw/zinc/43/58/67/815435867.db2.gz FBLMVOZWCCDUCT-RYUDHWBXSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106840331 811318191 /nfs/dbraw/zinc/31/81/91/811318191.db2.gz IMQMZHWPLPELDX-VXGBXAGGSA-N 2 1 284.404 -0.502 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001107040842 811322938 /nfs/dbraw/zinc/32/29/38/811322938.db2.gz PSYWWPWNBJWWBQ-VXGBXAGGSA-N 2 1 284.404 -0.504 20 0 CBADMP [NH3+][C@H]1CN(C(=O)c2cc3n(n2)CC[NH2+]C3)C[C@H]1F ZINC001157559802 815445269 /nfs/dbraw/zinc/44/52/69/815445269.db2.gz KGDQKFWLKAZXCS-BDAKNGLRSA-N 2 1 253.281 -0.893 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182503 811420542 /nfs/dbraw/zinc/42/05/42/811420542.db2.gz JYEATGYKMISQCH-OCCSQVGLSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182503 811420546 /nfs/dbraw/zinc/42/05/46/811420546.db2.gz JYEATGYKMISQCH-OCCSQVGLSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108342471 811439626 /nfs/dbraw/zinc/43/96/26/811439626.db2.gz GTBKOGGTNPPOIP-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108342471 811439630 /nfs/dbraw/zinc/43/96/30/811439630.db2.gz GTBKOGGTNPPOIP-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)C1 ZINC001108342471 811439633 /nfs/dbraw/zinc/43/96/33/811439633.db2.gz GTBKOGGTNPPOIP-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)C1 ZINC001108342471 811439637 /nfs/dbraw/zinc/43/96/37/811439637.db2.gz GTBKOGGTNPPOIP-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108395286 811442598 /nfs/dbraw/zinc/44/25/98/811442598.db2.gz QONCMXOEZAJSRP-OCCSQVGLSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108395286 811442603 /nfs/dbraw/zinc/44/26/03/811442603.db2.gz QONCMXOEZAJSRP-OCCSQVGLSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)C1 ZINC001108395286 811442613 /nfs/dbraw/zinc/44/26/13/811442613.db2.gz QONCMXOEZAJSRP-OCCSQVGLSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)C1 ZINC001108395286 811442617 /nfs/dbraw/zinc/44/26/17/811442617.db2.gz QONCMXOEZAJSRP-OCCSQVGLSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(C)C[NH+](CCCO)CCO2)C1 ZINC001108395928 811444337 /nfs/dbraw/zinc/44/43/37/811444337.db2.gz XCUNCKYXAMVRIL-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(C)C[NH+](CCCO)CCO2)C1 ZINC001108395928 811444341 /nfs/dbraw/zinc/44/43/41/811444341.db2.gz XCUNCKYXAMVRIL-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(C)C[N@H+](CCCO)CCO2)C1 ZINC001108395928 811444345 /nfs/dbraw/zinc/44/43/45/811444345.db2.gz XCUNCKYXAMVRIL-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(C)C[N@@H+](CCCO)CCO2)C1 ZINC001108395928 811444351 /nfs/dbraw/zinc/44/43/51/811444351.db2.gz XCUNCKYXAMVRIL-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674001 811499803 /nfs/dbraw/zinc/49/98/03/811499803.db2.gz WOMWFZATZHXMJR-NDBYEHHHSA-N 2 1 296.415 -0.206 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674001 811499808 /nfs/dbraw/zinc/49/98/08/811499808.db2.gz WOMWFZATZHXMJR-NDBYEHHHSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672533 811499834 /nfs/dbraw/zinc/49/98/34/811499834.db2.gz JFVSEIAQQHZNDL-USZNOCQGSA-N 2 1 282.388 -0.467 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672533 811499836 /nfs/dbraw/zinc/49/98/36/811499836.db2.gz JFVSEIAQQHZNDL-USZNOCQGSA-N 2 1 282.388 -0.467 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(N)=O)C2 ZINC001111861663 811558783 /nfs/dbraw/zinc/55/87/83/811558783.db2.gz YFCXXEFTAUPDBO-FZMZJTMJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001111861663 811558787 /nfs/dbraw/zinc/55/87/87/811558787.db2.gz YFCXXEFTAUPDBO-FZMZJTMJSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(N)=O)C2 ZINC001111926880 811559651 /nfs/dbraw/zinc/55/96/51/811559651.db2.gz NTRGWLFCPUYUFB-WFASDCNBSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(N)=O)C2 ZINC001111926880 811559658 /nfs/dbraw/zinc/55/96/58/811559658.db2.gz NTRGWLFCPUYUFB-WFASDCNBSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(N)=O)C2 ZINC001111926880 811559663 /nfs/dbraw/zinc/55/96/63/811559663.db2.gz NTRGWLFCPUYUFB-WFASDCNBSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001111926880 811559670 /nfs/dbraw/zinc/55/96/70/811559670.db2.gz NTRGWLFCPUYUFB-WFASDCNBSA-N 2 1 296.415 -0.216 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC(F)(F)CC[C@H]1CO ZINC001157730218 815457777 /nfs/dbraw/zinc/45/77/77/815457777.db2.gz JKRQLRLRAFLIOM-YUMQZZPRSA-N 2 1 251.277 -0.719 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157738850 815460316 /nfs/dbraw/zinc/46/03/16/815460316.db2.gz DBVHOQOSSVAHKL-GXFFZTMASA-N 2 1 289.351 -0.054 20 0 CBADMP [NH3+]CCCNCC(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157748094 815461745 /nfs/dbraw/zinc/46/17/45/815461745.db2.gz WBNSVKHVPWTZEM-LBPRGKRZSA-N 2 1 260.357 -0.396 20 0 CBADMP [NH3+]CCCNCC(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157748089 815461460 /nfs/dbraw/zinc/46/14/60/815461460.db2.gz WBNSVKHVPWTZEM-GFCCVEGCSA-N 2 1 260.357 -0.396 20 0 CBADMP COC[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001113538361 811645913 /nfs/dbraw/zinc/64/59/13/811645913.db2.gz KVHOUPDOFYLTAK-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113538361 811645915 /nfs/dbraw/zinc/64/59/15/811645915.db2.gz KVHOUPDOFYLTAK-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP C[C@@H]1CCN(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)C[C@@H]1[NH3+] ZINC001157792867 815466953 /nfs/dbraw/zinc/46/69/53/815466953.db2.gz FTNTZEZWFXZOPB-IEBDPFPHSA-N 3 1 251.334 -0.525 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114042070 811711448 /nfs/dbraw/zinc/71/14/48/811711448.db2.gz WFDPBHCZGKLMPB-KZVDOYCCSA-N 2 1 294.399 -0.737 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114042070 811711452 /nfs/dbraw/zinc/71/14/52/811711452.db2.gz WFDPBHCZGKLMPB-KZVDOYCCSA-N 2 1 294.399 -0.737 20 0 CBADMP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001114042070 811711455 /nfs/dbraw/zinc/71/14/55/811711455.db2.gz WFDPBHCZGKLMPB-KZVDOYCCSA-N 2 1 294.399 -0.737 20 0 CBADMP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001114042070 811711458 /nfs/dbraw/zinc/71/14/58/811711458.db2.gz WFDPBHCZGKLMPB-KZVDOYCCSA-N 2 1 294.399 -0.737 20 0 CBADMP CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114093235 811716889 /nfs/dbraw/zinc/71/68/89/811716889.db2.gz LLJHBGHIVVIZOP-RQJABVFESA-N 2 1 297.399 -0.600 20 0 CBADMP CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114093235 811716897 /nfs/dbraw/zinc/71/68/97/811716897.db2.gz LLJHBGHIVVIZOP-RQJABVFESA-N 2 1 297.399 -0.600 20 0 CBADMP CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001114093235 811716908 /nfs/dbraw/zinc/71/69/08/811716908.db2.gz LLJHBGHIVVIZOP-RQJABVFESA-N 2 1 297.399 -0.600 20 0 CBADMP CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001114093235 811716916 /nfs/dbraw/zinc/71/69/16/811716916.db2.gz LLJHBGHIVVIZOP-RQJABVFESA-N 2 1 297.399 -0.600 20 0 CBADMP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001157844305 815470896 /nfs/dbraw/zinc/47/08/96/815470896.db2.gz VWXOMMRBBJAHRM-UMNHJUIQSA-N 2 1 265.361 -0.135 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)C1CC1 ZINC001114404999 811748034 /nfs/dbraw/zinc/74/80/34/811748034.db2.gz LILBIHKQHAEMCK-ZOBORPQBSA-N 2 1 281.400 -0.245 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001114488441 811751826 /nfs/dbraw/zinc/75/18/26/811751826.db2.gz NLQDYMWFAGLUIM-IAZYJMLFSA-N 2 1 282.388 -0.752 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001114488441 811751827 /nfs/dbraw/zinc/75/18/27/811751827.db2.gz NLQDYMWFAGLUIM-IAZYJMLFSA-N 2 1 282.388 -0.752 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114488441 811751832 /nfs/dbraw/zinc/75/18/32/811751832.db2.gz NLQDYMWFAGLUIM-IAZYJMLFSA-N 2 1 282.388 -0.752 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114488441 811751835 /nfs/dbraw/zinc/75/18/35/811751835.db2.gz NLQDYMWFAGLUIM-IAZYJMLFSA-N 2 1 282.388 -0.752 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCCC(=O)[C@H](F)C1 ZINC001157854660 815473219 /nfs/dbraw/zinc/47/32/19/815473219.db2.gz GUKBUIWZCGDYPY-LLVKDONJSA-N 2 1 271.336 -0.142 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001157886997 815476624 /nfs/dbraw/zinc/47/66/24/815476624.db2.gz OKXNVBQLGVQBBO-STQMWFEESA-N 2 1 296.415 -0.156 20 0 CBADMP NC[C@@H]([NH3+])c1ccc(C(=O)N2CCCNC(=O)C2)cc1 ZINC001157891388 815476671 /nfs/dbraw/zinc/47/66/71/815476671.db2.gz YJZIOPXHLBIVRZ-GFCCVEGCSA-N 2 1 276.340 -0.393 20 0 CBADMP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCc2nc[nH]c2C1 ZINC001157922372 815483202 /nfs/dbraw/zinc/48/32/02/815483202.db2.gz MINXUBQTUKHWBB-QMMMGPOBSA-N 2 1 269.374 -0.686 20 0 CBADMP [NH3+]CCCNCC(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082380 815502965 /nfs/dbraw/zinc/50/29/65/815502965.db2.gz OWXBLGQOQBNLGB-UHFFFAOYSA-N 2 1 254.378 -0.345 20 0 CBADMP C[N@H+]1CCc2nc(Cl)nc(-n3nnnc3C[NH3+])c2C1 ZINC001158080286 815502991 /nfs/dbraw/zinc/50/29/91/815502991.db2.gz JXLKTNRAJPSGTF-UHFFFAOYSA-N 2 1 280.723 -0.448 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC2(C[C@@H]2CCO)CC1 ZINC001158111296 815505122 /nfs/dbraw/zinc/50/51/22/815505122.db2.gz NHDYQRLYLRPJNO-QWRGUYRKSA-N 2 1 255.362 -0.326 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750199 812157101 /nfs/dbraw/zinc/15/71/01/812157101.db2.gz CPNWYOSVIJMIQJ-NMKXLXIOSA-N 2 1 269.389 -0.245 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114751342 812157683 /nfs/dbraw/zinc/15/76/83/812157683.db2.gz YLFREWDOQPGFMC-NHAGDIPZSA-N 2 1 299.415 -0.617 20 0 CBADMP CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774612 812159153 /nfs/dbraw/zinc/15/91/53/812159153.db2.gz RFTSQMSGUFAUCR-JYAVWHMHSA-N 2 1 296.415 -0.491 20 0 CBADMP CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774612 812159161 /nfs/dbraw/zinc/15/91/61/812159161.db2.gz RFTSQMSGUFAUCR-JYAVWHMHSA-N 2 1 296.415 -0.491 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778429 812160196 /nfs/dbraw/zinc/16/01/96/812160196.db2.gz KUOTVCNWEMSDGJ-DCQANWLSSA-N 2 1 282.388 -0.881 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001114991630 812171902 /nfs/dbraw/zinc/17/19/02/812171902.db2.gz GNVPIXUNDCCSDP-JYAVWHMHSA-N 2 1 296.415 -0.537 20 0 CBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CC1 ZINC001115038269 812174078 /nfs/dbraw/zinc/17/40/78/812174078.db2.gz KXXQTHCWXOKCPE-NHAGDIPZSA-N 2 1 297.399 -0.864 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115080573 812178271 /nfs/dbraw/zinc/17/82/71/812178271.db2.gz AESVYUWYNBZFTG-KZVDOYCCSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC ZINC001115080573 812178277 /nfs/dbraw/zinc/17/82/77/812178277.db2.gz AESVYUWYNBZFTG-KZVDOYCCSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115080573 812178281 /nfs/dbraw/zinc/17/82/81/812178281.db2.gz AESVYUWYNBZFTG-KZVDOYCCSA-N 2 1 296.415 -0.362 20 0 CBADMP COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125697 812179815 /nfs/dbraw/zinc/17/98/15/812179815.db2.gz AUSWWPHZCSXLOA-NHAGDIPZSA-N 2 1 299.415 -0.353 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001115126099 812180738 /nfs/dbraw/zinc/18/07/38/812180738.db2.gz IGDYXSDVXOQVHD-IMRBUKKESA-N 2 1 287.379 -0.029 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001115241074 812185561 /nfs/dbraw/zinc/18/55/61/812185561.db2.gz BHWKSNISUFDJPU-NHAGDIPZSA-N 2 1 297.399 -0.863 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115300113 812189613 /nfs/dbraw/zinc/18/96/13/812189613.db2.gz LJQQLQOBEQTKEV-DCQANWLSSA-N 2 1 282.388 -0.753 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115300113 812189617 /nfs/dbraw/zinc/18/96/17/812189617.db2.gz LJQQLQOBEQTKEV-DCQANWLSSA-N 2 1 282.388 -0.753 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115300113 812189622 /nfs/dbraw/zinc/18/96/22/812189622.db2.gz LJQQLQOBEQTKEV-DCQANWLSSA-N 2 1 282.388 -0.753 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115300113 812189627 /nfs/dbraw/zinc/18/96/27/812189627.db2.gz LJQQLQOBEQTKEV-DCQANWLSSA-N 2 1 282.388 -0.753 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198209 815511269 /nfs/dbraw/zinc/51/12/69/815511269.db2.gz BMUICSGYZIWAFQ-NWDGAFQWSA-N 3 1 252.362 -0.709 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001158337244 815521327 /nfs/dbraw/zinc/52/13/27/815521327.db2.gz RHFBTWBTRIFQQB-UQOMUDLDSA-N 2 1 286.379 -0.227 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CC2 ZINC001158349629 815521629 /nfs/dbraw/zinc/52/16/29/815521629.db2.gz ZHHBYWOXNCHPFH-BXKDBHETSA-N 2 1 264.329 -0.632 20 0 CBADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+]CC(N)=O ZINC001158355085 815522715 /nfs/dbraw/zinc/52/27/15/815522715.db2.gz NNNBKUPKEFVAEO-NSHDSACASA-N 2 1 295.387 -0.022 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCO)CC[N@H+]1C ZINC001158412062 815527359 /nfs/dbraw/zinc/52/73/59/815527359.db2.gz KSUNCOIVRNBJTB-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001118037191 812463780 /nfs/dbraw/zinc/46/37/80/812463780.db2.gz ATLIBSSKVNOIJR-NQBHXWOUSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC001118140655 812478202 /nfs/dbraw/zinc/47/82/02/812478202.db2.gz GZGPUZCMCPHUFC-DTWKUNHWSA-N 2 1 251.334 -0.094 20 0 CBADMP C[C@@H](C[NH3+])C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001118190117 812488402 /nfs/dbraw/zinc/48/84/02/812488402.db2.gz RDLHKQFCYYRNGV-LBPRGKRZSA-N 2 1 256.394 -0.275 20 0 CBADMP CC(C)(C)[NH2+]CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001118271699 812515710 /nfs/dbraw/zinc/51/57/10/812515710.db2.gz YCGFXDPEHDCCBL-LLVKDONJSA-N 2 1 255.362 -0.348 20 0 CBADMP CC(C)(C)[NH2+]CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001118271699 812515718 /nfs/dbraw/zinc/51/57/18/812515718.db2.gz YCGFXDPEHDCCBL-LLVKDONJSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC001118521527 812567199 /nfs/dbraw/zinc/56/71/99/812567199.db2.gz QGSGIBQQOUZRKN-ZDUSSCGKSA-N 3 1 268.405 -0.072 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC001118569157 812577516 /nfs/dbraw/zinc/57/75/16/812577516.db2.gz CHGVMGFAQRENEH-QWHCGFSZSA-N 2 1 268.405 -0.262 20 0 CBADMP c1cn(C[C@H]2CC[N@H+](CCN3CC[NH2+]CC3)C2)nn1 ZINC001118568929 812577746 /nfs/dbraw/zinc/57/77/46/812577746.db2.gz KERLVBYJHNYJHJ-ZDUSSCGKSA-N 2 1 264.377 -0.495 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC001118572985 812580715 /nfs/dbraw/zinc/58/07/15/812580715.db2.gz ZDGCXRQQOPLQMG-KBPBESRZSA-N 2 1 298.431 -0.506 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001118572991 812580851 /nfs/dbraw/zinc/58/08/51/812580851.db2.gz ZDGCXRQQOPLQMG-ZIAGYGMSSA-N 2 1 298.431 -0.506 20 0 CBADMP [NH3+]C1([C@H]2CN(C(=O)[C@@H]3COCC[NH2+]3)C[C@H]2CF)CC1 ZINC001158577524 815539556 /nfs/dbraw/zinc/53/95/56/815539556.db2.gz ILZSIEFOTGMCGH-VWYCJHECSA-N 2 1 271.336 -0.490 20 0 CBADMP [NH3+]CCCNCC(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158577810 815539950 /nfs/dbraw/zinc/53/99/50/815539950.db2.gz JFYIZWOOHWLUAL-MNOVXSKESA-N 2 1 272.368 -0.540 20 0 CBADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001158626221 815540743 /nfs/dbraw/zinc/54/07/43/815540743.db2.gz HIVSUWFPNZZCMQ-DMDPSCGWSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001158626221 815540747 /nfs/dbraw/zinc/54/07/47/815540747.db2.gz HIVSUWFPNZZCMQ-DMDPSCGWSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001158626119 815540958 /nfs/dbraw/zinc/54/09/58/815540958.db2.gz DXSBWHOPBCQSSQ-OPDFLTKYSA-N 2 1 266.389 -0.511 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001158626119 815540961 /nfs/dbraw/zinc/54/09/61/815540961.db2.gz DXSBWHOPBCQSSQ-OPDFLTKYSA-N 2 1 266.389 -0.511 20 0 CBADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1(N)CC[NH2+]CC1 ZINC001158626035 815541095 /nfs/dbraw/zinc/54/10/95/815541095.db2.gz CIDLDUDJSLQUQI-WDEREUQCSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C1(N)CC[NH2+]CC1 ZINC001158626035 815541097 /nfs/dbraw/zinc/54/10/97/815541097.db2.gz CIDLDUDJSLQUQI-WDEREUQCSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001118871601 812648589 /nfs/dbraw/zinc/64/85/89/812648589.db2.gz MHKDWSNWPTUKCJ-TUAOUCFPSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001118964044 812678062 /nfs/dbraw/zinc/67/80/62/812678062.db2.gz XOWDRZCGEJKZHO-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP [NH3+]C1CC[NH+](CCc2cn(C3COC3)nn2)CC1 ZINC001118979486 812682543 /nfs/dbraw/zinc/68/25/43/812682543.db2.gz USLSRYNSCRDGPO-UHFFFAOYSA-N 2 1 251.334 -0.185 20 0 CBADMP [NH3+][C@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)CC12COC2 ZINC001158765925 815546358 /nfs/dbraw/zinc/54/63/58/815546358.db2.gz NLKCJXBENWUZCG-NSHDSACASA-N 2 1 291.355 -0.523 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1C ZINC001119348507 812762516 /nfs/dbraw/zinc/76/25/16/812762516.db2.gz BJKYBWIYHIMBTM-ZDEQEGDKSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001119353432 812764220 /nfs/dbraw/zinc/76/42/20/812764220.db2.gz XJFFGPDDSNQDLS-TUAOUCFPSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC[N@H+]1C ZINC001119407220 812777137 /nfs/dbraw/zinc/77/71/37/812777137.db2.gz GLLFUEDLEOXWLW-FRRDWIJNSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119416853 812777871 /nfs/dbraw/zinc/77/78/71/812777871.db2.gz JPXIEQWJSNCXFM-KQXIARHKSA-N 2 1 294.399 -0.561 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119427247 812781654 /nfs/dbraw/zinc/78/16/54/812781654.db2.gz JREPUQRTNRKWGO-GRYCIOLGSA-N 2 1 282.388 -0.560 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](CC[NH3+])C3)C[C@@H]21 ZINC001119636499 812845611 /nfs/dbraw/zinc/84/56/11/812845611.db2.gz QUOSBVDQTDHUDR-XQQFMLRXSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]([NH3+])CC[NH3+])C1 ZINC001159133972 815560793 /nfs/dbraw/zinc/56/07/93/815560793.db2.gz LFSXMQDAWTWSEC-RYUDHWBXSA-N 3 1 294.403 -0.921 20 0 CBADMP C(C[N@@H+]1CCO[C@@H]2COCC[C@@H]21)N1CC[NH2+]CC1 ZINC001120362793 812954139 /nfs/dbraw/zinc/95/41/39/812954139.db2.gz NFTHRYFSVHSTEL-QWHCGFSZSA-N 2 1 255.362 -0.619 20 0 CBADMP C(C[N@H+]1CCO[C@@H]2COCC[C@@H]21)N1CC[NH2+]CC1 ZINC001120362793 812954143 /nfs/dbraw/zinc/95/41/43/812954143.db2.gz NFTHRYFSVHSTEL-QWHCGFSZSA-N 2 1 255.362 -0.619 20 0 CBADMP [NH3+]C[C@@H](O)CC(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291305 815567313 /nfs/dbraw/zinc/56/73/13/815567313.db2.gz MWKGELBVJIYLBG-LBPRGKRZSA-N 2 1 267.373 -0.360 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001120660619 813007445 /nfs/dbraw/zinc/00/74/45/813007445.db2.gz WKTFSGHUOYCMLK-XYPYZODXSA-N 2 1 258.366 -0.399 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC001121809851 813076830 /nfs/dbraw/zinc/07/68/30/813076830.db2.gz ASBMRNSOYSDIPH-QKCSRTOESA-N 2 1 266.389 -0.382 20 0 CBADMP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001121895617 813086216 /nfs/dbraw/zinc/08/62/16/813086216.db2.gz DMRFCGVJQXKRJM-MBNYWOFBSA-N 2 1 268.405 -0.136 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001121898137 813086626 /nfs/dbraw/zinc/08/66/26/813086626.db2.gz XLHZDTBJAXCUIQ-LBPRGKRZSA-N 2 1 282.388 -0.652 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001121898136 813086985 /nfs/dbraw/zinc/08/69/85/813086985.db2.gz XLHZDTBJAXCUIQ-GFCCVEGCSA-N 2 1 282.388 -0.652 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC[NH2+]1 ZINC001121896533 813087098 /nfs/dbraw/zinc/08/70/98/813087098.db2.gz INEOSWXDIPMXHN-IJLUTSLNSA-N 2 1 252.362 -0.805 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCC[NH+]1CCOCC1 ZINC001121897828 813087153 /nfs/dbraw/zinc/08/71/53/813087153.db2.gz PKCNLLXZNPEXMW-RYUDHWBXSA-N 2 1 273.377 -0.959 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121909458 813089105 /nfs/dbraw/zinc/08/91/05/813089105.db2.gz RQGCWWYJVZUAGN-NEPJUHHUSA-N 2 1 282.388 -0.748 20 0 CBADMP CC(C)(O)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001121909076 813089257 /nfs/dbraw/zinc/08/92/57/813089257.db2.gz JCZIFTLEWLHREN-OUAUKWLOSA-N 2 1 255.362 -0.172 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1)C(C)C ZINC001121917802 813090179 /nfs/dbraw/zinc/09/01/79/813090179.db2.gz ZBCBYPJOOWFWEK-DGCLKSJQSA-N 2 1 257.378 -0.054 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001121975368 813099445 /nfs/dbraw/zinc/09/94/45/813099445.db2.gz RGONGEDWUXMOFG-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCn1cc[nH+]c1C ZINC001121996050 813102263 /nfs/dbraw/zinc/10/22/63/813102263.db2.gz BRODASPKHPOEDN-ONGXEEELSA-N 2 1 254.334 -0.476 20 0 CBADMP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001121998130 813102795 /nfs/dbraw/zinc/10/27/95/813102795.db2.gz QPOCTQMJRPEQNF-OLZOCXBDSA-N 2 1 266.389 -0.510 20 0 CBADMP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001122002931 813103081 /nfs/dbraw/zinc/10/30/81/813103081.db2.gz MMZZOQKQWBROLY-ZDUSSCGKSA-N 2 1 279.388 -0.008 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)[N@@H+](C)C1CC1 ZINC001121996105 813103231 /nfs/dbraw/zinc/10/32/31/813103231.db2.gz BIULJRSGDYPGKF-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001122009471 813104166 /nfs/dbraw/zinc/10/41/66/813104166.db2.gz QCOJCPYORZLQBO-BZPMIXESSA-N 2 1 266.389 -0.510 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@]1(C)CC[NH2+]C1 ZINC001122079898 813114639 /nfs/dbraw/zinc/11/46/39/813114639.db2.gz TXVXWXZLHBACRE-NQBHXWOUSA-N 2 1 252.362 -0.757 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)CC2 ZINC001122079387 813114693 /nfs/dbraw/zinc/11/46/93/813114693.db2.gz MRNWTDNJSKLJAV-JLLWLGSASA-N 2 1 264.329 -0.797 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C3(C[NH3+])CC(O)C3)CC[C@@H]21 ZINC001122108361 813118993 /nfs/dbraw/zinc/11/89/93/813118993.db2.gz PJZMHLAYVKDYRY-ATWGWHJKSA-N 2 1 267.373 -0.361 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001122184959 813128912 /nfs/dbraw/zinc/12/89/12/813128912.db2.gz LBZWEBWGANLZAC-DDHJBXDOSA-N 2 1 252.362 -0.677 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)CCN2C(=O)CCC2=O)CC1 ZINC001122238543 813137046 /nfs/dbraw/zinc/13/70/46/813137046.db2.gz FZRUBBWPPNIMAE-UHFFFAOYSA-N 2 1 296.371 -0.935 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001122248072 813137235 /nfs/dbraw/zinc/13/72/35/813137235.db2.gz DGNSIXNFXOFTJY-UHFFFAOYSA-N 2 1 296.415 -0.171 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCN1CCC([NH3+])CC1 ZINC001122238528 813137333 /nfs/dbraw/zinc/13/73/33/813137333.db2.gz FNSWAPKWTSCZBX-UHFFFAOYSA-N 2 1 265.361 -0.269 20 0 CBADMP CN1CCN(c2ccc(N[C@H]([NH3+])CCC[NH3+])nn2)CC1 ZINC001159780194 815594491 /nfs/dbraw/zinc/59/44/91/815594491.db2.gz SZRFHGORWKSHPW-NSHDSACASA-N 2 1 279.392 -0.336 20 0 CBADMP C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001122447758 813165230 /nfs/dbraw/zinc/16/52/30/813165230.db2.gz HZYPOPWYNFXXEW-DRZSPHRISA-N 2 1 268.405 -0.136 20 0 CBADMP CC(C)C(=O)N1CC[C@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC[C@H]21 ZINC001159783180 815595183 /nfs/dbraw/zinc/59/51/83/815595183.db2.gz UIDOPNSVPOTGHS-RWMBFGLXSA-N 2 1 296.415 -0.232 20 0 CBADMP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001122484293 813169737 /nfs/dbraw/zinc/16/97/37/813169737.db2.gz NYECAZVSFQGKNF-CYDGBPFRSA-N 2 1 266.389 -0.654 20 0 CBADMP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001122484294 813169798 /nfs/dbraw/zinc/16/97/98/813169798.db2.gz NYECAZVSFQGKNF-QNWHQSFQSA-N 2 1 266.389 -0.654 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)[C@@H](CO)C1 ZINC001122540990 813174795 /nfs/dbraw/zinc/17/47/95/813174795.db2.gz JGFBOJSWOFOBDN-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)[C@@H](CO)C1 ZINC001122540990 813174801 /nfs/dbraw/zinc/17/48/01/813174801.db2.gz JGFBOJSWOFOBDN-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001159837800 815599557 /nfs/dbraw/zinc/59/95/57/815599557.db2.gz FTRNUWWOAZBJTJ-ZDUSSCGKSA-N 2 1 298.431 -0.194 20 0 CBADMP CCOC(=O)CN(CC[NH3+])c1ncnc2c1C[NH2+]C2 ZINC001159863997 815601279 /nfs/dbraw/zinc/60/12/79/815601279.db2.gz ILXNIFCPVDHRLU-UHFFFAOYSA-N 2 1 265.317 -0.592 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001123658656 813258039 /nfs/dbraw/zinc/25/80/39/813258039.db2.gz RPBYQGYOTHHJLD-UPJWGTAASA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC(C[NH+](C)C)C1 ZINC001123893188 813288633 /nfs/dbraw/zinc/28/86/33/813288633.db2.gz JUSDLPGXWGRLJP-DGCLKSJQSA-N 2 1 266.389 -0.605 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H]1CCC[NH+]1C ZINC001123938678 813297118 /nfs/dbraw/zinc/29/71/18/813297118.db2.gz HAVCGDSYTGRITF-UPJWGTAASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@H]1CCC[N@@H+]1C ZINC001123938678 813297124 /nfs/dbraw/zinc/29/71/24/813297124.db2.gz HAVCGDSYTGRITF-UPJWGTAASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@H]1CCC[N@H+]1C ZINC001123938678 813297130 /nfs/dbraw/zinc/29/71/30/813297130.db2.gz HAVCGDSYTGRITF-UPJWGTAASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H]1CCC[NH+]1C ZINC001123938679 813297730 /nfs/dbraw/zinc/29/77/30/813297730.db2.gz HAVCGDSYTGRITF-XQQFMLRXSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@H]1CCC[N@@H+]1C ZINC001123938679 813297736 /nfs/dbraw/zinc/29/77/36/813297736.db2.gz HAVCGDSYTGRITF-XQQFMLRXSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@H]1CCC[N@H+]1C ZINC001123938679 813297740 /nfs/dbraw/zinc/29/77/40/813297740.db2.gz HAVCGDSYTGRITF-XQQFMLRXSA-N 2 1 266.389 -0.415 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001124836397 813485078 /nfs/dbraw/zinc/48/50/78/813485078.db2.gz GJSUDPFWHJUPEV-GFCCVEGCSA-N 2 1 265.361 -0.280 20 0 CBADMP CCc1nnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)n1C ZINC001124838077 813486008 /nfs/dbraw/zinc/48/60/08/813486008.db2.gz SKLZAIXJLMYOKE-LLVKDONJSA-N 2 1 294.403 -0.323 20 0 CBADMP CCc1nnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)n1C ZINC001124838077 813486013 /nfs/dbraw/zinc/48/60/13/813486013.db2.gz SKLZAIXJLMYOKE-LLVKDONJSA-N 2 1 294.403 -0.323 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001124838266 813486312 /nfs/dbraw/zinc/48/63/12/813486312.db2.gz UTTJZXHTQOBFFL-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001124866736 813489281 /nfs/dbraw/zinc/48/92/81/813489281.db2.gz JZTBXEDCVKHKBP-AAEUAGOBSA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001124866503 813489489 /nfs/dbraw/zinc/48/94/89/813489489.db2.gz DUAZUKUNBQVYIT-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001124867680 813491944 /nfs/dbraw/zinc/49/19/44/813491944.db2.gz XWEZQOXXTGTCHA-OLZOCXBDSA-N 2 1 295.387 -0.956 20 0 CBADMP COc1nccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001124873017 813492803 /nfs/dbraw/zinc/49/28/03/813492803.db2.gz RJKPBKCDTWESJD-LBPRGKRZSA-N 2 1 293.371 -0.215 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)c1nncn1C ZINC001124877151 813493599 /nfs/dbraw/zinc/49/35/99/813493599.db2.gz CQVYTYAHOSTPQU-GHMZBOCLSA-N 2 1 280.376 -0.324 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)c1nncn1C ZINC001124877151 813493602 /nfs/dbraw/zinc/49/36/02/813493602.db2.gz CQVYTYAHOSTPQU-GHMZBOCLSA-N 2 1 280.376 -0.324 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001124879659 813495330 /nfs/dbraw/zinc/49/53/30/813495330.db2.gz YBBCGYMOVNHVOP-NWDGAFQWSA-N 2 1 292.387 -0.435 20 0 CBADMP C[C@H](F)CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125219747 813532655 /nfs/dbraw/zinc/53/26/55/813532655.db2.gz AZWCAZLBAKUQLP-QWRGUYRKSA-N 2 1 261.341 -0.229 20 0 CBADMP C[C@H](F)CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125219747 813532660 /nfs/dbraw/zinc/53/26/60/813532660.db2.gz AZWCAZLBAKUQLP-QWRGUYRKSA-N 2 1 261.341 -0.229 20 0 CBADMP Cc1ncsc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125214594 813532718 /nfs/dbraw/zinc/53/27/18/813532718.db2.gz UQGFMGWRDWBUHV-LLVKDONJSA-N 2 1 298.412 -0.012 20 0 CBADMP Cc1ncsc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125214594 813532727 /nfs/dbraw/zinc/53/27/27/813532727.db2.gz UQGFMGWRDWBUHV-LLVKDONJSA-N 2 1 298.412 -0.012 20 0 CBADMP Cc1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001125221695 813536361 /nfs/dbraw/zinc/53/63/61/813536361.db2.gz SKSVIEMJSQEIHY-ZDUSSCGKSA-N 2 1 293.371 -0.679 20 0 CBADMP Cc1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001125221695 813536368 /nfs/dbraw/zinc/53/63/68/813536368.db2.gz SKSVIEMJSQEIHY-ZDUSSCGKSA-N 2 1 293.371 -0.679 20 0 CBADMP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220527 813536874 /nfs/dbraw/zinc/53/68/74/813536874.db2.gz IOOYPYQMCLMMKB-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220527 813536883 /nfs/dbraw/zinc/53/68/83/813536883.db2.gz IOOYPYQMCLMMKB-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOCC2CC2)C1 ZINC001125227800 813538579 /nfs/dbraw/zinc/53/85/79/813538579.db2.gz ZFENIGRTNTUAPP-ZDUSSCGKSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOCC2CC2)C1 ZINC001125227800 813538588 /nfs/dbraw/zinc/53/85/88/813538588.db2.gz ZFENIGRTNTUAPP-ZDUSSCGKSA-N 2 1 285.388 -0.551 20 0 CBADMP CC[C@H](C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)OC ZINC001125223187 813538832 /nfs/dbraw/zinc/53/88/32/813538832.db2.gz YWDPIMIHVDSCGO-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[C@H](C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)OC ZINC001125223187 813538838 /nfs/dbraw/zinc/53/88/38/813538838.db2.gz YWDPIMIHVDSCGO-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001127066444 813710355 /nfs/dbraw/zinc/71/03/55/813710355.db2.gz ORCKLYUJGHBNMN-CYBMUJFWSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001127066444 813710357 /nfs/dbraw/zinc/71/03/57/813710357.db2.gz ORCKLYUJGHBNMN-CYBMUJFWSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001127065666 813710617 /nfs/dbraw/zinc/71/06/17/813710617.db2.gz CUNUUECIHUJGKL-NWDGAFQWSA-N 2 1 282.388 -0.547 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256008 813722068 /nfs/dbraw/zinc/72/20/68/813722068.db2.gz LVIOJKBCDOUZHS-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127473637 813732344 /nfs/dbraw/zinc/73/23/44/813732344.db2.gz BBMIXKZCAJZRDM-LBPRGKRZSA-N 2 1 292.387 -0.637 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)CC[N@H+]1C ZINC001127653334 813740953 /nfs/dbraw/zinc/74/09/53/813740953.db2.gz SIOUEGPJQNTAFX-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCCO)CC[N@H+]1C ZINC001127701111 813741083 /nfs/dbraw/zinc/74/10/83/813741083.db2.gz JDYFWVDJGADIIC-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(N)=O ZINC001127700733 813742349 /nfs/dbraw/zinc/74/23/49/813742349.db2.gz CNCNNAUJJCWKQY-QJPTWQEYSA-N 2 1 284.404 -0.314 20 0 CBADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659454 813742597 /nfs/dbraw/zinc/74/25/97/813742597.db2.gz BCFLVJWFFNRJBG-YNEHKIRRSA-N 2 1 298.431 -0.053 20 0 CBADMP COCCCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127784812 813748260 /nfs/dbraw/zinc/74/82/60/813748260.db2.gz BNXRUNYJMLILBE-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP O=C(NCC[NH2+]CCF)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779565 813748727 /nfs/dbraw/zinc/74/87/27/813748727.db2.gz OEWKQWQIMHKBSL-QWRGUYRKSA-N 2 1 259.325 -0.475 20 0 CBADMP COCCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127784808 813749441 /nfs/dbraw/zinc/74/94/41/813749441.db2.gz BNXRUNYJMLILBE-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001128778149 813797376 /nfs/dbraw/zinc/79/73/76/813797376.db2.gz BNTXZWOQPDOWOI-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001128778739 813800085 /nfs/dbraw/zinc/80/00/85/813800085.db2.gz LFRUWOYJTMBWHG-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129350408 813836076 /nfs/dbraw/zinc/83/60/76/813836076.db2.gz AQOOOSLPSVBJED-UHFFFAOYSA-N 2 1 294.403 -0.012 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)c1nnnn1C ZINC001129358237 813839118 /nfs/dbraw/zinc/83/91/18/813839118.db2.gz REELKWFPTMJLHR-JTQLQIEISA-N 2 1 295.391 -0.539 20 0 CBADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+]CCF ZINC001129386466 813839468 /nfs/dbraw/zinc/83/94/68/813839468.db2.gz LTBQYQSGXJWPFO-NSHDSACASA-N 2 1 271.340 -0.511 20 0 CBADMP COCC[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129387362 813839955 /nfs/dbraw/zinc/83/99/55/813839955.db2.gz UMMYZYIEQSVTPX-GFCCVEGCSA-N 2 1 283.376 -0.835 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(N)=O ZINC001129418854 813842477 /nfs/dbraw/zinc/84/24/77/813842477.db2.gz XLEKFRNPOUZAIO-AAEUAGOBSA-N 2 1 296.415 -0.027 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435570 813843153 /nfs/dbraw/zinc/84/31/53/813843153.db2.gz HNBFBKAFKMIMEK-GFCCVEGCSA-N 2 1 280.376 -0.639 20 0 CBADMP O=C(NCC[NH2+]CCCO)[C@@H]1CCCc2[nH+]ccn21 ZINC001129430706 813843715 /nfs/dbraw/zinc/84/37/15/813843715.db2.gz WCUOGYBIIMWTOW-NSHDSACASA-N 2 1 266.345 -0.151 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)c1nncn1C ZINC001129444370 813846012 /nfs/dbraw/zinc/84/60/12/813846012.db2.gz SICGMKNAYFTETR-JQWIXIFHSA-N 2 1 294.403 -0.078 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001129526740 813849014 /nfs/dbraw/zinc/84/90/14/813849014.db2.gz PXKYFXSNHFFBMT-UHFFFAOYSA-N 2 1 280.376 -0.495 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001129526740 813849024 /nfs/dbraw/zinc/84/90/24/813849024.db2.gz PXKYFXSNHFFBMT-UHFFFAOYSA-N 2 1 280.376 -0.495 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129531685 813849579 /nfs/dbraw/zinc/84/95/79/813849579.db2.gz FTQQMXUGEHJHHD-UHFFFAOYSA-N 2 1 284.404 -0.297 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+]CCN1CCNC1=O)C1CCC1 ZINC001129532091 813850396 /nfs/dbraw/zinc/85/03/96/813850396.db2.gz QQRNUBYLIZJOFX-UHFFFAOYSA-N 2 1 297.403 -0.798 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001129849461 813869566 /nfs/dbraw/zinc/86/95/66/813869566.db2.gz GFWPSKZCKVRGPI-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CCCO ZINC001129842426 813870072 /nfs/dbraw/zinc/87/00/72/813870072.db2.gz XJPWMWMFJILEEU-LBPRGKRZSA-N 2 1 257.378 -0.051 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129842536 813870482 /nfs/dbraw/zinc/87/04/82/813870482.db2.gz ZNSREHZKIIYGIS-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001129842030 813871243 /nfs/dbraw/zinc/87/12/43/813871243.db2.gz RZAZYBZEOXHFHO-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CCn1cncn1 ZINC001129840051 813871400 /nfs/dbraw/zinc/87/14/00/813871400.db2.gz FEXBXEXMPUNDHG-CYBMUJFWSA-N 2 1 294.403 -0.142 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001129842005 813872024 /nfs/dbraw/zinc/87/20/24/813872024.db2.gz RQMVWRRMWNOHMJ-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129842535 813872317 /nfs/dbraw/zinc/87/23/17/813872317.db2.gz ZNSREHZKIIYGIS-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[C@H](C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)OC ZINC001130182501 813913549 /nfs/dbraw/zinc/91/35/49/813913549.db2.gz KQBSIBHEEVKQQM-JHJVBQTASA-N 2 1 287.404 -0.164 20 0 CBADMP CC[C@H](C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)OC ZINC001130182501 813913551 /nfs/dbraw/zinc/91/35/51/813913551.db2.gz KQBSIBHEEVKQQM-JHJVBQTASA-N 2 1 287.404 -0.164 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCOC2)O1 ZINC001130182730 813913912 /nfs/dbraw/zinc/91/39/12/813913912.db2.gz VAIIZYSPBHSYJM-MGPQQGTHSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCOC2)O1 ZINC001130182730 813913920 /nfs/dbraw/zinc/91/39/20/813913920.db2.gz VAIIZYSPBHSYJM-MGPQQGTHSA-N 2 1 299.415 -0.162 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130189968 813916342 /nfs/dbraw/zinc/91/63/42/813916342.db2.gz UJMNJCWOCWCLSV-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP COC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184312 813917164 /nfs/dbraw/zinc/91/71/64/813917164.db2.gz LDLBLGNMPVHARQ-IJLUTSLNSA-N 2 1 273.377 -0.554 20 0 CBADMP COC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184312 813917167 /nfs/dbraw/zinc/91/71/67/813917167.db2.gz LDLBLGNMPVHARQ-IJLUTSLNSA-N 2 1 273.377 -0.554 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001130297109 813922947 /nfs/dbraw/zinc/92/29/47/813922947.db2.gz IDLGJCLOCCZGLA-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130297251 813923041 /nfs/dbraw/zinc/92/30/41/813923041.db2.gz JKZKMYHVHWQVQW-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001130297287 813924235 /nfs/dbraw/zinc/92/42/35/813924235.db2.gz KCRQKOXUMPBCOE-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC001130300855 813924610 /nfs/dbraw/zinc/92/46/10/813924610.db2.gz WHUMYMJPNOEBCT-VHSXEESVSA-N 2 1 256.350 -0.950 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001130297290 813924637 /nfs/dbraw/zinc/92/46/37/813924637.db2.gz KCRQKOXUMPBCOE-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130297772 813924782 /nfs/dbraw/zinc/92/47/82/813924782.db2.gz QXDSTTKGFXIFJV-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130297507 813924956 /nfs/dbraw/zinc/92/49/56/813924956.db2.gz NLQNSCGUJDDZMY-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001130303773 813925962 /nfs/dbraw/zinc/92/59/62/813925962.db2.gz JLUXVRWYMKKHSB-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001130425382 813939880 /nfs/dbraw/zinc/93/98/80/813939880.db2.gz WXAQPCCUXNUILZ-JTQLQIEISA-N 2 1 297.407 -0.293 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001130425382 813939884 /nfs/dbraw/zinc/93/98/84/813939884.db2.gz WXAQPCCUXNUILZ-JTQLQIEISA-N 2 1 297.407 -0.293 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)C23CCC[NH+]2CCC3)n1 ZINC001130805665 813984513 /nfs/dbraw/zinc/98/45/13/813984513.db2.gz HKXFOTGMAPGGBL-UHFFFAOYSA-N 2 1 292.387 -0.351 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131377156 814027061 /nfs/dbraw/zinc/02/70/61/814027061.db2.gz JGZKVBKIKQQFEV-UHFFFAOYSA-N 2 1 281.360 -0.624 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001131387421 814027443 /nfs/dbraw/zinc/02/74/43/814027443.db2.gz OMBZFMPMFPVXNL-UHFFFAOYSA-N 2 1 293.371 -0.576 20 0 CBADMP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380310 814027686 /nfs/dbraw/zinc/02/76/86/814027686.db2.gz JHSJETLXJLQUPF-NSHDSACASA-N 2 1 295.387 -0.188 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001131387520 814028035 /nfs/dbraw/zinc/02/80/35/814028035.db2.gz SNEXVUIRXBHDTP-LLVKDONJSA-N 2 1 281.360 -0.626 20 0 CBADMP O=C(Cn1c[nH+]c2c1CCCC2)NCC[NH2+]CCO ZINC001131424583 814032286 /nfs/dbraw/zinc/03/22/86/814032286.db2.gz WROWBSCTVLVYDY-UHFFFAOYSA-N 2 1 266.345 -0.540 20 0 CBADMP COC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131522135 814037073 /nfs/dbraw/zinc/03/70/73/814037073.db2.gz UFYDBWWEADTXPN-OYNVLQORSA-N 2 1 297.399 -0.410 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCOC2)C1 ZINC001132848849 814193740 /nfs/dbraw/zinc/19/37/40/814193740.db2.gz UHDWIFPKDXDNGA-KGLIPLIRSA-N 2 1 299.415 -0.162 20 0 CBADMP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132848824 814193907 /nfs/dbraw/zinc/19/39/07/814193907.db2.gz SWEKIAYBTCIKRF-STQMWFEESA-N 2 1 287.404 -0.164 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886102 814196831 /nfs/dbraw/zinc/19/68/31/814196831.db2.gz CEJZTPFIUUFKIY-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2cnnn2C)CC[N@H+]1C ZINC001132886210 814197436 /nfs/dbraw/zinc/19/74/36/814197436.db2.gz FYJIFAQYOYUCGM-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[NH2+]C[C@H](C)O)CC2 ZINC001133004490 814208374 /nfs/dbraw/zinc/20/83/74/814208374.db2.gz BEZNBXIBSPCPRN-CMPLNLGQSA-N 2 1 280.372 -0.159 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[NH2+]C[C@@H](C)O)CC2 ZINC001133004493 814208975 /nfs/dbraw/zinc/20/89/75/814208975.db2.gz BEZNBXIBSPCPRN-ZYHUDNBSSA-N 2 1 280.372 -0.159 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133274338 814233439 /nfs/dbraw/zinc/23/34/39/814233439.db2.gz GMAVANNXTZIXJZ-QWHCGFSZSA-N 2 1 298.431 -0.112 20 0 CBADMP COc1cc(C[NH2+]CCNC(=O)CC[NH+](C)C)on1 ZINC001133287910 814235944 /nfs/dbraw/zinc/23/59/44/814235944.db2.gz PUSNFDITRKZCHS-UHFFFAOYSA-N 2 1 270.333 -0.159 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)c1nncn1C ZINC001133287284 814236145 /nfs/dbraw/zinc/23/61/45/814236145.db2.gz FSBCXKLJRBJRRQ-SNVBAGLBSA-N 2 1 268.365 -0.466 20 0 CBADMP CC(C)n1nnnc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294837 814239264 /nfs/dbraw/zinc/23/92/64/814239264.db2.gz WRBLYEDNWOPPSB-UHFFFAOYSA-N 2 1 283.380 -0.589 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)c1nnnn1C1CC1 ZINC001133298179 814240214 /nfs/dbraw/zinc/24/02/14/814240214.db2.gz ZDVPOBGKUIFKRK-SNVBAGLBSA-N 2 1 295.391 -0.274 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133819737 814300737 /nfs/dbraw/zinc/30/07/37/814300737.db2.gz MZOIDAFOERSIRK-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C[N@@H+]2CCC[C@@H]2C)nn1 ZINC001133823740 814301626 /nfs/dbraw/zinc/30/16/26/814301626.db2.gz NDOQWCQSQHIKIA-LBPRGKRZSA-N 2 1 294.403 -0.012 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C[N@H+]2CCC[C@@H]2C)nn1 ZINC001133823740 814301633 /nfs/dbraw/zinc/30/16/33/814301633.db2.gz NDOQWCQSQHIKIA-LBPRGKRZSA-N 2 1 294.403 -0.012 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001133833886 814301695 /nfs/dbraw/zinc/30/16/95/814301695.db2.gz ISEBQFAQWVKIOG-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001133833715 814302274 /nfs/dbraw/zinc/30/22/74/814302274.db2.gz DDWSDISYWRJDTF-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001133824009 814302358 /nfs/dbraw/zinc/30/23/58/814302358.db2.gz VVFPXGWKOSUSTR-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133823403 814302851 /nfs/dbraw/zinc/30/28/51/814302851.db2.gz FNXQJOCZASAIJA-MNOVXSKESA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001133824011 814303420 /nfs/dbraw/zinc/30/34/20/814303420.db2.gz VVFPXGWKOSUSTR-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849830 814306246 /nfs/dbraw/zinc/30/62/46/814306246.db2.gz FCXIJIQPLFXSLX-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001133846394 814307365 /nfs/dbraw/zinc/30/73/65/814307365.db2.gz ZZIIOLLRSOZILJ-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(N)=O ZINC001133845738 814308294 /nfs/dbraw/zinc/30/82/94/814308294.db2.gz MMYIZTWVTVPFGJ-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001133845688 814308887 /nfs/dbraw/zinc/30/88/87/814308887.db2.gz LRVYXRJATQOIGB-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001133863494 814310382 /nfs/dbraw/zinc/31/03/82/814310382.db2.gz MRVHSAVTDBIKSM-JQWIXIFHSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001133863494 814310392 /nfs/dbraw/zinc/31/03/92/814310392.db2.gz MRVHSAVTDBIKSM-JQWIXIFHSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnns1 ZINC001133862290 814312378 /nfs/dbraw/zinc/31/23/78/814312378.db2.gz CAIFLTSHEQWWAF-GXSJLCMTSA-N 2 1 283.401 -0.058 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnns1 ZINC001133862290 814312384 /nfs/dbraw/zinc/31/23/84/814312384.db2.gz CAIFLTSHEQWWAF-GXSJLCMTSA-N 2 1 283.401 -0.058 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869280 814312954 /nfs/dbraw/zinc/31/29/54/814312954.db2.gz CIFXSGNEBGSRIS-STQMWFEESA-N 2 1 298.431 -0.243 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001133869274 814313201 /nfs/dbraw/zinc/31/32/01/814313201.db2.gz CHUOIIVBGGMZSS-DGCLKSJQSA-N 2 1 294.403 -0.299 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001133869274 814313208 /nfs/dbraw/zinc/31/32/08/814313208.db2.gz CHUOIIVBGGMZSS-DGCLKSJQSA-N 2 1 294.403 -0.299 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001133866578 814313225 /nfs/dbraw/zinc/31/32/25/814313225.db2.gz NNCMHBCREGFQES-NWDGAFQWSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccnn1C ZINC001133866691 814313586 /nfs/dbraw/zinc/31/35/86/814313586.db2.gz NRUSULWCEQVJHR-DGCLKSJQSA-N 2 1 279.388 -0.176 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001133867399 814314126 /nfs/dbraw/zinc/31/41/26/814314126.db2.gz UAIWJPSFDXSCFM-WCQYABFASA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001133866580 814315989 /nfs/dbraw/zinc/31/59/89/814315989.db2.gz NNCMHBCREGFQES-VXGBXAGGSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001133869283 814316199 /nfs/dbraw/zinc/31/61/99/814316199.db2.gz CLZSTVDZMQXFBL-GHMZBOCLSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001133869283 814316209 /nfs/dbraw/zinc/31/62/09/814316209.db2.gz CLZSTVDZMQXFBL-GHMZBOCLSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001133869496 814316250 /nfs/dbraw/zinc/31/62/50/814316250.db2.gz FFPSEFZECMXRCV-ZYHUDNBSSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001133869496 814316259 /nfs/dbraw/zinc/31/62/59/814316259.db2.gz FFPSEFZECMXRCV-ZYHUDNBSSA-N 2 1 280.376 -0.781 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[NH2+]C[C@H](C)O)C2 ZINC001133872823 814318226 /nfs/dbraw/zinc/31/82/26/814318226.db2.gz CUEZDJSJUBNXFM-JQWIXIFHSA-N 2 1 280.372 -0.159 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001133870434 814318244 /nfs/dbraw/zinc/31/82/44/814318244.db2.gz UAEMDSDSHKPZQQ-CMPLNLGQSA-N 2 1 280.376 -0.781 20 0 CBADMP Cn1nncc1C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133899461 814319237 /nfs/dbraw/zinc/31/92/37/814319237.db2.gz HSTMYBZRFOXSNG-UHFFFAOYSA-N 2 1 296.419 -0.001 20 0 CBADMP CN1CC[C@@H]([NH2+]CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1=O ZINC001133896449 814319266 /nfs/dbraw/zinc/31/92/66/814319266.db2.gz JNGQYTYWUSIVJN-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+]CC(=O)N1CCC1)CC(C)(C)C ZINC001133899472 814319650 /nfs/dbraw/zinc/31/96/50/814319650.db2.gz IGMLHATUZZRRKF-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896293 814320514 /nfs/dbraw/zinc/32/05/14/814320514.db2.gz HDVFWFMYHKUZRQ-LBPRGKRZSA-N 2 1 287.404 -0.569 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133890477 814321351 /nfs/dbraw/zinc/32/13/51/814321351.db2.gz SIUSEJATBHMOGE-UHFFFAOYSA-N 2 1 295.343 -0.925 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+]CCn1cncn1)CC(C)(C)C ZINC001133908418 814322327 /nfs/dbraw/zinc/32/23/27/814322327.db2.gz QIRDPKFZEZHBKA-UHFFFAOYSA-N 2 1 296.419 -0.038 20 0 CBADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001134723289 814409468 /nfs/dbraw/zinc/40/94/68/814409468.db2.gz AVUXUNALBAPASH-NSHDSACASA-N 2 1 295.387 -0.024 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001134763116 814411288 /nfs/dbraw/zinc/41/12/88/814411288.db2.gz MJWSSPUCPFPOEO-LLVKDONJSA-N 2 1 270.377 -0.560 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)CC2CC[NH+](C)CC2)nn1 ZINC001134780444 814412788 /nfs/dbraw/zinc/41/27/88/814412788.db2.gz HELLZJNISHYXOY-UHFFFAOYSA-N 2 1 294.403 -0.247 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135307062 814459896 /nfs/dbraw/zinc/45/98/96/814459896.db2.gz NHPIAGJJVGYAQZ-ZDUSSCGKSA-N 2 1 298.387 -0.315 20 0 CBADMP COCC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135341142 814465134 /nfs/dbraw/zinc/46/51/34/814465134.db2.gz OPRCHPBQMGMBCT-UHFFFAOYSA-N 2 1 259.350 -0.939 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CC1CCOCC1 ZINC001135340818 814465533 /nfs/dbraw/zinc/46/55/33/814465533.db2.gz JUYIJKIEIVIZGT-UHFFFAOYSA-N 2 1 299.415 -0.159 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]C[C@H]1CCOC1 ZINC001135340830 814465798 /nfs/dbraw/zinc/46/57/98/814465798.db2.gz KGJOPOKSNPDGHT-CYBMUJFWSA-N 2 1 285.388 -0.549 20 0 CBADMP C[C@@H](O)C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997336 815606038 /nfs/dbraw/zinc/60/60/38/815606038.db2.gz MIPXPRPDCXSISN-LLVKDONJSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@H]1CC[C@H](C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)O1 ZINC001135352705 814469142 /nfs/dbraw/zinc/46/91/42/814469142.db2.gz OOBQTGUVYFTJQP-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP CN(C)C(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997532 815606710 /nfs/dbraw/zinc/60/67/10/815606710.db2.gz QSOQFRPWDSQKDY-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@H](O)C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997337 815606856 /nfs/dbraw/zinc/60/68/56/815606856.db2.gz MIPXPRPDCXSISN-NSHDSACASA-N 2 1 257.378 -0.053 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001135861223 814531775 /nfs/dbraw/zinc/53/17/75/814531775.db2.gz OBLZZGXGQIITKE-NWDGAFQWSA-N 2 1 286.420 -0.053 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001135861673 814533696 /nfs/dbraw/zinc/53/36/96/814533696.db2.gz VGSGFVQDDSWIDS-WDEREUQCSA-N 2 1 272.393 -0.314 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)C1 ZINC001141196280 814649510 /nfs/dbraw/zinc/64/95/10/814649510.db2.gz AENNBQJTCPXGEC-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)C1 ZINC001141196280 814649513 /nfs/dbraw/zinc/64/95/13/814649513.db2.gz AENNBQJTCPXGEC-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)C1 ZINC001141196280 814649516 /nfs/dbraw/zinc/64/95/16/814649516.db2.gz AENNBQJTCPXGEC-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)C1 ZINC001141196280 814649520 /nfs/dbraw/zinc/64/95/20/814649520.db2.gz AENNBQJTCPXGEC-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)C3([NH3+])CC3)CC[C@@H]2C1 ZINC001159635134 815582678 /nfs/dbraw/zinc/58/26/78/815582678.db2.gz HZCWIYZBGFLZLR-CHWSQXEVSA-N 2 1 297.399 -0.327 20 0 CBADMP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001142624028 814725255 /nfs/dbraw/zinc/72/52/55/814725255.db2.gz FVOCHXVUCSGLIS-JTQLQIEISA-N 2 1 275.374 -0.782 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCOCCOC ZINC001146704506 814843343 /nfs/dbraw/zinc/84/33/43/814843343.db2.gz CEKYONMHVMWIHG-UHFFFAOYSA-N 2 1 275.393 -0.303 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)CC[N@@H+](C)CC)C(N)=O ZINC001146710204 814843357 /nfs/dbraw/zinc/84/33/57/814843357.db2.gz FOANXUVRWDBUHB-JTQLQIEISA-N 2 1 258.366 -0.702 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001146704740 814843634 /nfs/dbraw/zinc/84/36/34/814843634.db2.gz IHMWHWMITRZXGU-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001146704740 814843636 /nfs/dbraw/zinc/84/36/36/814843636.db2.gz IHMWHWMITRZXGU-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001146704728 814844237 /nfs/dbraw/zinc/84/42/37/814844237.db2.gz HUANHFAYIOYTTN-NSHDSACASA-N 2 1 282.392 -0.076 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001146704728 814844239 /nfs/dbraw/zinc/84/42/39/814844239.db2.gz HUANHFAYIOYTTN-NSHDSACASA-N 2 1 282.392 -0.076 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCNC(=O)CC[N@@H+](C)CC)C1=O ZINC001146710226 814844332 /nfs/dbraw/zinc/84/43/32/814844332.db2.gz GQKZDNMACXYAHL-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cncn1C ZINC001146718819 814844913 /nfs/dbraw/zinc/84/49/13/814844913.db2.gz GGCVNZKWELWFAU-UHFFFAOYSA-N 2 1 267.377 -0.032 20 0 CBADMP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1nccs1 ZINC001147842312 814919382 /nfs/dbraw/zinc/91/93/82/814919382.db2.gz RAARHGNXAKXCEG-UHFFFAOYSA-N 2 1 286.401 -0.073 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001147877003 814920666 /nfs/dbraw/zinc/92/06/66/814920666.db2.gz BSBQNTUGSLWPMC-NSHDSACASA-N 2 1 282.388 -0.687 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147876984 814920884 /nfs/dbraw/zinc/92/08/84/814920884.db2.gz BEPQUGWOFDXENX-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147876984 814920885 /nfs/dbraw/zinc/92/08/85/814920885.db2.gz BEPQUGWOFDXENX-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001147878438 814922253 /nfs/dbraw/zinc/92/22/53/814922253.db2.gz YVVLKKDSXDXNGT-GFCCVEGCSA-N 2 1 279.388 -0.032 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001147878438 814922259 /nfs/dbraw/zinc/92/22/59/814922259.db2.gz YVVLKKDSXDXNGT-GFCCVEGCSA-N 2 1 279.388 -0.032 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001147885468 814922370 /nfs/dbraw/zinc/92/23/70/814922370.db2.gz MJLBRLMKCCKLKQ-VXGBXAGGSA-N 2 1 282.388 -0.687 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001147877207 814922569 /nfs/dbraw/zinc/92/25/69/814922569.db2.gz GREMNVRNXGNQIE-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001147877207 814922574 /nfs/dbraw/zinc/92/25/74/814922574.db2.gz GREMNVRNXGNQIE-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CCCCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878108 814922736 /nfs/dbraw/zinc/92/27/36/814922736.db2.gz SACDTHULBIAPDU-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878212 814923065 /nfs/dbraw/zinc/92/30/65/814923065.db2.gz VCSITMBETISWDK-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC2=CC[NH+](CCO)CC2)C1 ZINC001159725078 815590504 /nfs/dbraw/zinc/59/05/04/815590504.db2.gz CIGNFYMLQBDUGJ-CQSZACIVSA-N 2 1 297.399 -0.552 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC2=CC[NH+](CCO)CC2)C1 ZINC001159725078 815590510 /nfs/dbraw/zinc/59/05/10/815590510.db2.gz CIGNFYMLQBDUGJ-CQSZACIVSA-N 2 1 297.399 -0.552 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCCC2=CC[N@H+](CCO)CC2)C1 ZINC001159725078 815590516 /nfs/dbraw/zinc/59/05/16/815590516.db2.gz CIGNFYMLQBDUGJ-CQSZACIVSA-N 2 1 297.399 -0.552 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCCC2=CC[N@@H+](CCO)CC2)C1 ZINC001159725078 815590522 /nfs/dbraw/zinc/59/05/22/815590522.db2.gz CIGNFYMLQBDUGJ-CQSZACIVSA-N 2 1 297.399 -0.552 20 0 CBADMP O=C(NCCC[NH2+]CCO)[C@H]1CCCc2[nH+]ccn21 ZINC001159914214 815603991 /nfs/dbraw/zinc/60/39/91/815603991.db2.gz BNFWZLHZTVWGLZ-LLVKDONJSA-N 2 1 266.345 -0.151 20 0 CBADMP COCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C1CC[NH+](C)CC1 ZINC001160440559 815622637 /nfs/dbraw/zinc/62/26/37/815622637.db2.gz REYOTWJCQPVHFG-LBPRGKRZSA-N 3 1 272.393 -0.768 20 0 CBADMP C[NH2+]CC1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)CC1 ZINC001160457045 815625469 /nfs/dbraw/zinc/62/54/69/815625469.db2.gz WSBWXUSPSYWFLI-BZPMIXESSA-N 2 1 266.389 -0.334 20 0 CBADMP C[N@H+]1C[C@@H](C(=O)N2CCC([NH3+])CC2)OC2(CC[NH2+]CC2)C1 ZINC001160511803 815632770 /nfs/dbraw/zinc/63/27/70/815632770.db2.gz VLIIFOIJIRRETE-ZDUSSCGKSA-N 2 1 296.415 -0.611 20 0 CBADMP CN1C[C@@H](C(=O)N2CCC([NH3+])CC2)OC2(CC[NH2+]CC2)C1 ZINC001160511803 815632776 /nfs/dbraw/zinc/63/27/76/815632776.db2.gz VLIIFOIJIRRETE-ZDUSSCGKSA-N 2 1 296.415 -0.611 20 0 CBADMP CC(C)(C)N1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160577559 815639750 /nfs/dbraw/zinc/63/97/50/815639750.db2.gz MRJOWPXPHPXCSF-LBPRGKRZSA-N 2 1 280.416 -0.262 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)CC2)c1 ZINC001160603703 815643592 /nfs/dbraw/zinc/64/35/92/815643592.db2.gz ZXVDGUACOUNMPH-OLZOCXBDSA-N 2 1 290.367 -0.381 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC[C@H](CCO)C1 ZINC001160610889 815645536 /nfs/dbraw/zinc/64/55/36/815645536.db2.gz OAAKKQIWOAFNGC-GFCCVEGCSA-N 2 1 269.389 -0.051 20 0 CBADMP C[C@@H]([NH3+])c1ncc(C(=O)N2CCO[C@@H](C[NH3+])C2)s1 ZINC001160645594 815650058 /nfs/dbraw/zinc/65/00/58/815650058.db2.gz QFDMSWRNPJHBHA-SFYZADRCSA-N 2 1 270.358 -0.038 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC001160694169 815658654 /nfs/dbraw/zinc/65/86/54/815658654.db2.gz RUVUNXOWUDYAEU-UWVGGRQHSA-N 2 1 251.334 -0.208 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]2C1 ZINC001160705318 815662271 /nfs/dbraw/zinc/66/22/71/815662271.db2.gz VEBPQTNSZCBLPE-TUAOUCFPSA-N 3 1 254.378 -0.537 20 0 CBADMP CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160788534 815671232 /nfs/dbraw/zinc/67/12/32/815671232.db2.gz SSTCOPDDWAYADV-GZMMTYOYSA-N 2 1 295.343 -0.925 20 0 CBADMP COC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857997 815680242 /nfs/dbraw/zinc/68/02/42/815680242.db2.gz VQUHVOXAXYRWJJ-JHJVBQTASA-N 2 1 287.404 -0.164 20 0 CBADMP COC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857997 815680247 /nfs/dbraw/zinc/68/02/47/815680247.db2.gz VQUHVOXAXYRWJJ-JHJVBQTASA-N 2 1 287.404 -0.164 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160862577 815682057 /nfs/dbraw/zinc/68/20/57/815682057.db2.gz RFAYXJBZKNDUDA-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1c[nH]cn1)C2 ZINC001160965851 815691094 /nfs/dbraw/zinc/69/10/94/815691094.db2.gz ZCEYFSVDSIJTLY-SCDSUCTJSA-N 2 1 277.372 -0.310 20 0 CBADMP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1COCC[NH2+]1)C2 ZINC001160962872 815691892 /nfs/dbraw/zinc/69/18/92/815691892.db2.gz GINADXDWVGMHGZ-NTZNESFSSA-N 2 1 253.346 -0.615 20 0 CBADMP O=C([C@@H]1CSC[NH2+]1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999530 815692589 /nfs/dbraw/zinc/69/25/89/815692589.db2.gz GVAVBBFECMMHIW-VHSXEESVSA-N 2 1 271.386 -0.636 20 0 CBADMP Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161033838 815701767 /nfs/dbraw/zinc/70/17/67/815701767.db2.gz ZZDKNUCNCPGPII-NSHDSACASA-N 2 1 295.391 -0.710 20 0 CBADMP Cn1nncc1C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161041862 815703400 /nfs/dbraw/zinc/70/34/00/815703400.db2.gz MYSBWTLCGADIEX-ZDUSSCGKSA-N 2 1 294.403 -0.105 20 0 CBADMP Cn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161041676 815703800 /nfs/dbraw/zinc/70/38/00/815703800.db2.gz LAALNJONJHJORV-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161042065 815704190 /nfs/dbraw/zinc/70/41/90/815704190.db2.gz NKVFHMRVSAZLBP-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161042739 815704367 /nfs/dbraw/zinc/70/43/67/815704367.db2.gz UHRUKJSUJRBYQP-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161050390 815704765 /nfs/dbraw/zinc/70/47/65/815704765.db2.gz MPPAZXNWTHQBDG-STQMWFEESA-N 2 1 296.415 -0.742 20 0 CBADMP CN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC001161052922 815704816 /nfs/dbraw/zinc/70/48/16/815704816.db2.gz PFTIFLQRUNCOKZ-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161060770 815705132 /nfs/dbraw/zinc/70/51/32/815705132.db2.gz CWZFKWWWWWWIPJ-HXNLIRTISA-N 2 1 266.389 -0.064 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001161081182 815709180 /nfs/dbraw/zinc/70/91/80/815709180.db2.gz GSGMIACSDDRRLE-SRVKXCTJSA-N 2 1 269.345 -0.571 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001161081182 815709183 /nfs/dbraw/zinc/70/91/83/815709183.db2.gz GSGMIACSDDRRLE-SRVKXCTJSA-N 2 1 269.345 -0.571 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001161081183 815710026 /nfs/dbraw/zinc/71/00/26/815710026.db2.gz GSGMIACSDDRRLE-WOPDTQHZSA-N 2 1 269.345 -0.571 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001161081183 815710032 /nfs/dbraw/zinc/71/00/32/815710032.db2.gz GSGMIACSDDRRLE-WOPDTQHZSA-N 2 1 269.345 -0.571 20 0 CBADMP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001161084008 815711397 /nfs/dbraw/zinc/71/13/97/815711397.db2.gz VYGYDYSEVUABPP-FPMFFAJLSA-N 2 1 291.399 -0.158 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@H]21 ZINC001161081873 815711700 /nfs/dbraw/zinc/71/17/00/815711700.db2.gz MHOPJWZWXQOMBP-DDHJBXDOSA-N 2 1 253.346 -0.738 20 0 CBADMP CCOC(=O)[C@@H]1COCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001161093763 815714619 /nfs/dbraw/zinc/71/46/19/815714619.db2.gz WMRZSNHISYQCGQ-LBPRGKRZSA-N 2 1 299.371 -0.882 20 0 CBADMP CC(=O)N1CCC[C@@H](N(C)C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001161130114 815717467 /nfs/dbraw/zinc/71/74/67/815717467.db2.gz KDAICIBVUBNOIB-CQSZACIVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)C3(N)CC[NH2+]CC3)C[C@H]2C1 ZINC001161175972 815724323 /nfs/dbraw/zinc/72/43/23/815724323.db2.gz QLZJOYLSSHOGJH-BETUJISGSA-N 2 1 280.416 -0.133 20 0 CBADMP CC(C)(O)CC[NH+]1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001161174747 815724958 /nfs/dbraw/zinc/72/49/58/815724958.db2.gz DTPMRLDLWZMINV-GFCCVEGCSA-N 3 1 286.420 -0.642 20 0 CBADMP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COC[NH2+]3)C[C@@H]2C1 ZINC001161176458 815726433 /nfs/dbraw/zinc/72/64/33/815726433.db2.gz VEENVWGYTXPZNA-SRVKXCTJSA-N 2 1 253.346 -0.268 20 0 CBADMP CN(C(=O)c1ccc([C@H]([NH3+])CN)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221374 815728895 /nfs/dbraw/zinc/72/88/95/815728895.db2.gz MLCSZBCSJWFRHH-RQJABVFESA-N 2 1 274.368 -0.065 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001161226640 815730502 /nfs/dbraw/zinc/73/05/02/815730502.db2.gz MELJXUUZCSUTAJ-GFCCVEGCSA-N 2 1 289.420 -0.180 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CCOCCO ZINC001161226376 815730755 /nfs/dbraw/zinc/73/07/55/815730755.db2.gz FULNXYORRMWBDR-UHFFFAOYSA-N 2 1 289.420 -0.179 20 0 CBADMP Cc1cc(O[C@H]2CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2)ncn1 ZINC001161308560 815738313 /nfs/dbraw/zinc/73/83/13/815738313.db2.gz DDZCERPILFWDJT-RYUDHWBXSA-N 2 1 293.371 -0.169 20 0 CBADMP CCN(C(=O)CC[C@H]([NH3+])C(=O)OC)[C@H]1CCC[NH2+]C1 ZINC001161332095 815741366 /nfs/dbraw/zinc/74/13/66/815741366.db2.gz KNYIRQHMKINCKW-QWRGUYRKSA-N 2 1 271.361 -0.133 20 0 CBADMP CCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CCC[NH2+]C1 ZINC001161339035 815745793 /nfs/dbraw/zinc/74/57/93/815745793.db2.gz HWXUAECADDWJGZ-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3COCC[NH2+]3)C2)CC1 ZINC001161381666 815748232 /nfs/dbraw/zinc/74/82/32/815748232.db2.gz YUROKFYXXRQNSI-ZIAGYGMSSA-N 3 1 296.415 -0.611 20 0 CBADMP [NH3+][C@H]1CC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161379436 815748420 /nfs/dbraw/zinc/74/84/20/815748420.db2.gz PKPOFKJYQAYDNL-AGIUHOORSA-N 3 1 266.389 -0.252 20 0 CBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423698 815754660 /nfs/dbraw/zinc/75/46/60/815754660.db2.gz KLSMCNFFTLUPRV-LOWVWBTDSA-N 2 1 282.388 -0.608 20 0 CBADMP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CC[N@H+]2CC[C@H]2C1 ZINC001161424062 815754801 /nfs/dbraw/zinc/75/48/01/815754801.db2.gz XTQGALGCUVHSDF-ILXRZTDVSA-N 2 1 292.427 -0.023 20 0 CBADMP [NH3+][C@H]1CCCCN(CC(=O)N2CC[N@H+]3CC[C@H]3C2)C1=O ZINC001161424141 815755878 /nfs/dbraw/zinc/75/58/78/815755878.db2.gz ZPTHNGCCGDFAPK-RYUDHWBXSA-N 2 1 280.372 -0.757 20 0 CBADMP [NH3+][C@@H](C(=O)N1CC[N@H+]2CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001161424148 815755903 /nfs/dbraw/zinc/75/59/03/815755903.db2.gz ZQXMKGRRDNCSEX-VXGBXAGGSA-N 3 1 252.362 -0.770 20 0 CBADMP [NH3+][C@@H](C(=O)N1CCN2CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001161424148 815755906 /nfs/dbraw/zinc/75/59/06/815755906.db2.gz ZQXMKGRRDNCSEX-VXGBXAGGSA-N 2 1 252.362 -0.770 20 0 CBADMP C[NH+](C)CCN(C(=O)[C@@H]1COC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161443574 815756166 /nfs/dbraw/zinc/75/61/66/815756166.db2.gz YKRKRCZCGCLAKK-RYUDHWBXSA-N 3 1 270.377 -0.926 20 0 CBADMP C[NH+](C)CCN(C(=O)[C@@]1(C)COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161444659 815756274 /nfs/dbraw/zinc/75/62/74/815756274.db2.gz JRXOPNGBHURWLP-UKRRQHHQSA-N 3 1 298.431 -0.493 20 0 CBADMP CCCCOC(=O)[C@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C1 ZINC001161460233 815757100 /nfs/dbraw/zinc/75/71/00/815757100.db2.gz IOTOOMSXMCFIEE-QWRGUYRKSA-N 2 1 271.361 -0.146 20 0 CBADMP CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC[C@@H]21 ZINC001161483321 815760323 /nfs/dbraw/zinc/76/03/23/815760323.db2.gz LJUKERCOLGIBGB-VWYCJHECSA-N 2 1 268.361 -0.868 20 0 CBADMP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001161489488 815761206 /nfs/dbraw/zinc/76/12/06/815761206.db2.gz UAIWLLARHKGPCO-DZGCQCFKSA-N 2 1 297.447 -0.676 20 0 CBADMP C[C@@]1(C[NH3+])CCCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001161490209 815761265 /nfs/dbraw/zinc/76/12/65/815761265.db2.gz VNKBFPXSCQXCIP-AWEZNQCLSA-N 3 1 268.405 -0.085 20 0 CBADMP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001161489967 815761524 /nfs/dbraw/zinc/76/15/24/815761524.db2.gz SMZYQDBMRHYWFT-AAEUAGOBSA-N 2 1 265.361 -0.133 20 0 CBADMP C[N@@H+](C1CN(C(=O)CNC2CC[NH2+]CC2)C1)[C@H]1CCOC1 ZINC001161498060 815763421 /nfs/dbraw/zinc/76/34/21/815763421.db2.gz HBWFSPDCNFASKS-ZDUSSCGKSA-N 2 1 296.415 -0.741 20 0 CBADMP C[N@@H+](C1CN(C(=O)[C@@H]([NH3+])CC(F)F)C1)[C@H]1CCOC1 ZINC001161499033 815763798 /nfs/dbraw/zinc/76/37/98/815763798.db2.gz MVSNVBQXDYZJRU-WPRPVWTQSA-N 2 1 277.315 -0.100 20 0 CBADMP NC[C@@H]([NH3+])c1ccc(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)cc1 ZINC001161507278 815764705 /nfs/dbraw/zinc/76/47/05/815764705.db2.gz RTSILXDTIOTKRU-OLZOCXBDSA-N 2 1 290.367 -0.555 20 0 CBADMP CC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001161525828 815766165 /nfs/dbraw/zinc/76/61/65/815766165.db2.gz BDVFMHYTLHPXHR-LBPRGKRZSA-N 2 1 253.346 -0.092 20 0 CBADMP CN1CC2(C1)CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001161532722 815767802 /nfs/dbraw/zinc/76/78/02/815767802.db2.gz XGATWGMXDHMGJR-LBPRGKRZSA-N 2 1 278.400 -0.365 20 0 CBADMP CN1CC2(C1)CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001161532720 815767845 /nfs/dbraw/zinc/76/78/45/815767845.db2.gz XGATWGMXDHMGJR-GFCCVEGCSA-N 2 1 278.400 -0.365 20 0 CBADMP CC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CC(N)=O)CC1 ZINC001161645237 815776248 /nfs/dbraw/zinc/77/62/48/815776248.db2.gz AGVTUTJJWNMTOE-UHFFFAOYSA-N 2 1 296.415 -0.048 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CC(N)=O)CC1 ZINC001161645237 815776253 /nfs/dbraw/zinc/77/62/53/815776253.db2.gz AGVTUTJJWNMTOE-UHFFFAOYSA-N 2 1 296.415 -0.048 20 0 CBADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CC(N)=O)CC1 ZINC001161645237 815776256 /nfs/dbraw/zinc/77/62/56/815776256.db2.gz AGVTUTJJWNMTOE-UHFFFAOYSA-N 2 1 296.415 -0.048 20 0 CBADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001161645237 815776264 /nfs/dbraw/zinc/77/62/64/815776264.db2.gz AGVTUTJJWNMTOE-UHFFFAOYSA-N 2 1 296.415 -0.048 20 0 CBADMP NC(=O)c1cncc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001161867835 815790736 /nfs/dbraw/zinc/79/07/36/815790736.db2.gz QSCBYWKYBFVDLZ-UHFFFAOYSA-N 2 1 264.333 -0.590 20 0 CBADMP O=C1C[C@@H](CNc2nc(N3CC[NH2+]CC3)cc[nH+]2)CCN1 ZINC001162325416 815815248 /nfs/dbraw/zinc/81/52/48/815815248.db2.gz ZJERHHHDJZRRPE-NSHDSACASA-N 2 1 290.371 -0.176 20 0 CBADMP O=S1(=O)CC[C@@H](Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC001162490391 815831221 /nfs/dbraw/zinc/83/12/21/815831221.db2.gz LAMCTVXSBXHLED-SNVBAGLBSA-N 2 1 297.384 -0.515 20 0 CBADMP C[NH+]1CCN(c2nccnc2-n2nccc2C[NH3+])CC1 ZINC001162592726 815835510 /nfs/dbraw/zinc/83/55/10/815835510.db2.gz ONQMWGRPWSIKDZ-UHFFFAOYSA-N 2 1 273.344 -0.127 20 0 CBADMP COCCOCC[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162605348 815837410 /nfs/dbraw/zinc/83/74/10/815837410.db2.gz AEIRUXDPJULXRQ-UHFFFAOYSA-N 2 1 298.387 -0.050 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162628424 815837460 /nfs/dbraw/zinc/83/74/60/815837460.db2.gz QTXJNXRVMUFVQA-UHFFFAOYSA-N 2 1 295.387 -0.234 20 0 CBADMP NC(=O)C[NH2+]CCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001162662936 815838950 /nfs/dbraw/zinc/83/89/50/815838950.db2.gz KLAYRGZHSLFDQZ-UHFFFAOYSA-N 2 1 293.371 -0.657 20 0 CBADMP Cc1[nH+]ccn1-c1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)ncn1 ZINC001163234935 815866298 /nfs/dbraw/zinc/86/62/98/815866298.db2.gz CLLAZJNAYYOSNC-QMTHXVAHSA-N 2 1 299.338 -0.039 20 0 CBADMP CN(C)c1nc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc[nH+]1 ZINC001163234713 815866937 /nfs/dbraw/zinc/86/69/37/815866937.db2.gz BLVLTLJPPJDMPL-PELKAZGASA-N 2 1 262.317 -0.467 20 0 CBADMP Cc1[nH+]ccn1-c1cncc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001163240434 815871365 /nfs/dbraw/zinc/87/13/65/815871365.db2.gz KFDOQXHFSSAGFR-QMTHXVAHSA-N 2 1 299.338 -0.039 20 0 CBADMP Cc1[nH+]ccn1-c1ccc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)nn1 ZINC001163243697 815873417 /nfs/dbraw/zinc/87/34/17/815873417.db2.gz WCROYDDDOAJSJM-HZMBPMFUSA-N 2 1 299.338 -0.039 20 0 CBADMP CN(CC[NH3+])c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001163688079 815896948 /nfs/dbraw/zinc/89/69/48/815896948.db2.gz LHAPCMIOGPHQLR-UHFFFAOYSA-N 2 1 278.360 -0.689 20 0 CBADMP C[C@@H](CC[NH+](C)C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001296072498 816599731 /nfs/dbraw/zinc/59/97/31/816599731.db2.gz JRVXNYBJZKEEKC-AAEUAGOBSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@@H+]1CC[C@H]1C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC001300046357 816736278 /nfs/dbraw/zinc/73/62/78/816736278.db2.gz NASYZFHAIUPAMV-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[N@H+]1CC[C@H]1C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC001300046357 816736282 /nfs/dbraw/zinc/73/62/82/816736282.db2.gz NASYZFHAIUPAMV-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](CC[NH+](C)C)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001300147629 816737638 /nfs/dbraw/zinc/73/76/38/816737638.db2.gz HDOGWRQHDISORA-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](CC[NH+](C)C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001300299054 816740089 /nfs/dbraw/zinc/74/00/89/816740089.db2.gz JEDRJDPEASTJJJ-DGCLKSJQSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](CC[NH+](C)C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001300299054 816740092 /nfs/dbraw/zinc/74/00/92/816740092.db2.gz JEDRJDPEASTJJJ-DGCLKSJQSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H](Nc1nc(N)[nH+]c(N)n1)[C@@H]1C[N@@H+](C)CCN1C ZINC001307214919 816799409 /nfs/dbraw/zinc/79/94/09/816799409.db2.gz YLMVGNGESLLVHX-SFYZADRCSA-N 2 1 266.353 -0.918 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001316865696 816894793 /nfs/dbraw/zinc/89/47/93/816894793.db2.gz PYDQVSGEHLDWQT-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCNC(=O)C[NH+](C)C(C)C ZINC001316869248 816898233 /nfs/dbraw/zinc/89/82/33/816898233.db2.gz FWTMLWDDJBXDTR-UHFFFAOYSA-N 2 1 272.393 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)CCCNC(=O)C[N@H+](C)C(C)C ZINC001316869248 816898238 /nfs/dbraw/zinc/89/82/38/816898238.db2.gz FWTMLWDDJBXDTR-UHFFFAOYSA-N 2 1 272.393 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)CCCNC(=O)C[N@@H+](C)C(C)C ZINC001316869248 816898244 /nfs/dbraw/zinc/89/82/44/816898244.db2.gz FWTMLWDDJBXDTR-UHFFFAOYSA-N 2 1 272.393 -0.489 20 0 CBADMP COCCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317092369 816930358 /nfs/dbraw/zinc/93/03/58/816930358.db2.gz FKGPSFSGBVNRMC-IHRRRGAJSA-N 2 1 299.415 -0.162 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CCO)C2)C1 ZINC001317161152 816937012 /nfs/dbraw/zinc/93/70/12/816937012.db2.gz AIAZCGSPTCEJOO-QWHCGFSZSA-N 2 1 269.389 -0.241 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCO)C1 ZINC001317200144 816940666 /nfs/dbraw/zinc/94/06/66/816940666.db2.gz OVAVFJIWLXWVGQ-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP CCCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317588413 817024792 /nfs/dbraw/zinc/02/47/92/817024792.db2.gz GXRNBZHBKHMXEI-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001317598937 817025561 /nfs/dbraw/zinc/02/55/61/817025561.db2.gz MQGHKQQMRRKTDN-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001317598506 817025938 /nfs/dbraw/zinc/02/59/38/817025938.db2.gz NFYBOQSOJXYPEU-ZDUSSCGKSA-N 2 1 296.419 -0.051 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)CC[NH2+]CCO)CC2 ZINC001317623518 817032211 /nfs/dbraw/zinc/03/22/11/817032211.db2.gz OHDQLOCVAJXQDK-GFCCVEGCSA-N 2 1 280.372 -0.206 20 0 CBADMP C[C@@H](O)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317652741 817040360 /nfs/dbraw/zinc/04/03/60/817040360.db2.gz CNXSITRJOGDQSV-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]CC(=O)N(C)C ZINC001317660647 817042456 /nfs/dbraw/zinc/04/24/56/817042456.db2.gz GCIKSMMNTKAEGC-UHFFFAOYSA-N 2 1 281.360 -0.672 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]CCn1cncn1 ZINC001317660561 817042853 /nfs/dbraw/zinc/04/28/53/817042853.db2.gz DSZSQLWGBIKVKX-UHFFFAOYSA-N 2 1 291.359 -0.469 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCOCCO)C1 ZINC001318105482 817075543 /nfs/dbraw/zinc/07/55/43/817075543.db2.gz AHCVQKMBSFHXER-CYBMUJFWSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001318272920 817093051 /nfs/dbraw/zinc/09/30/51/817093051.db2.gz GLUWCNOLZFHYID-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CCOCC[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001318510494 817117004 /nfs/dbraw/zinc/11/70/04/817117004.db2.gz AOZYADGRZSHISV-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001318510494 817117010 /nfs/dbraw/zinc/11/70/10/817117010.db2.gz AOZYADGRZSHISV-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001318510497 817117169 /nfs/dbraw/zinc/11/71/69/817117169.db2.gz AOZYADGRZSHISV-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001318510497 817117174 /nfs/dbraw/zinc/11/71/74/817117174.db2.gz AOZYADGRZSHISV-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP C[C@@H](C[NH2+]CCO)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319461627 817207734 /nfs/dbraw/zinc/20/77/34/817207734.db2.gz UMKCMNKKZOVNGE-QJPTWQEYSA-N 2 1 257.378 -0.245 20 0 CBADMP CC(C)C[C@@H](C[NH2+]CCO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001319603105 817223721 /nfs/dbraw/zinc/22/37/21/817223721.db2.gz CISVBWBHXSXRCI-STQMWFEESA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)C[C@@H](C[NH2+]CCO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001319603105 817223724 /nfs/dbraw/zinc/22/37/24/817223724.db2.gz CISVBWBHXSXRCI-STQMWFEESA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCO ZINC001319956962 817260058 /nfs/dbraw/zinc/26/00/58/817260058.db2.gz HAYIPCDGOIDZRT-RYUDHWBXSA-N 2 1 257.378 -0.339 20 0 CBADMP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@H]1CCC[N@H+]1C ZINC001320811745 817398177 /nfs/dbraw/zinc/39/81/77/817398177.db2.gz RLQZPDNNTPRUNF-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP COCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001320998072 817426078 /nfs/dbraw/zinc/42/60/78/817426078.db2.gz MRMJIJANQIIPID-VSQXVHSFSA-N 2 1 255.362 -0.011 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)C(N)=O ZINC001321083134 817438693 /nfs/dbraw/zinc/43/86/93/817438693.db2.gz HEDGQVVJJNZSBA-QITAHTHBSA-N 2 1 296.415 -0.003 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001321248309 817468092 /nfs/dbraw/zinc/46/80/92/817468092.db2.gz AUVNNCMFEVTWFW-DRHCNIFCSA-N 2 1 296.415 -0.275 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001321248307 817468839 /nfs/dbraw/zinc/46/88/39/817468839.db2.gz AUVNNCMFEVTWFW-CIUCYMIDSA-N 2 1 296.415 -0.275 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[NH2+]CCOCCOCCO ZINC001253205551 825905986 /nfs/dbraw/zinc/90/59/86/825905986.db2.gz DIFQWJHBFABNAY-CYBMUJFWSA-N 2 1 278.393 -0.696 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CNC(=O)C1(C)C ZINC001253217535 825906815 /nfs/dbraw/zinc/90/68/15/825906815.db2.gz YKWDNBKMEIRUJG-MNOVXSKESA-N 2 1 257.378 -0.197 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1CCS(=O)(=O)CC1 ZINC001253403864 825914204 /nfs/dbraw/zinc/91/42/04/825914204.db2.gz LLSIIBIZWOOKKV-NSHDSACASA-N 2 1 278.418 -0.098 20 0 CBADMP [NH3+][C@@H]1CCN(c2cc[nH+]c(N3CCC([NH3+])CC3)n2)C1 ZINC001164279135 819896942 /nfs/dbraw/zinc/89/69/42/819896942.db2.gz NNEAINUEYMESPY-LLVKDONJSA-N 3 1 262.361 -0.059 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H](C)O)C1 ZINC001164538300 819922415 /nfs/dbraw/zinc/92/24/15/819922415.db2.gz CPCPQQGCMKGDHM-STQMWFEESA-N 2 1 287.404 -0.428 20 0 CBADMP C[N@@H+](C1CN(c2ncc3c(n2)C[NH2+]C3)C1)[C@@H]1CCOC1 ZINC001165205866 819943642 /nfs/dbraw/zinc/94/36/42/819943642.db2.gz VMTWJLJFNQXGQE-LLVKDONJSA-N 2 1 275.356 -0.011 20 0 CBADMP Cn1ccc2c1nc[nH+]c2N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001165284283 819947459 /nfs/dbraw/zinc/94/74/59/819947459.db2.gz XVPKFUZLYJBRNO-YGRLFVJLSA-N 2 1 273.340 -0.014 20 0 CBADMP CN(C[C@H](O)CO)c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001165534316 819973082 /nfs/dbraw/zinc/97/30/82/819973082.db2.gz CUNOJCYJLXSOQB-NSHDSACASA-N 2 1 281.360 -0.807 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001165764365 819981636 /nfs/dbraw/zinc/98/16/36/819981636.db2.gz POLAKFNWEOWWNX-GFCCVEGCSA-N 2 1 296.415 -0.168 20 0 CBADMP CC[C@H]([NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C)C(N)=O ZINC001166626637 820008942 /nfs/dbraw/zinc/00/89/42/820008942.db2.gz IIHLMDGGQTZEEQ-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001166627454 820010192 /nfs/dbraw/zinc/01/01/92/820010192.db2.gz VYPKIRVKTWJZSG-ZDUSSCGKSA-N 2 1 294.403 -0.142 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C)C(N)=O ZINC001166626163 820010890 /nfs/dbraw/zinc/01/08/90/820010890.db2.gz BVDLXVPFDQPSND-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(N)=O ZINC001166676646 820014316 /nfs/dbraw/zinc/01/43/16/820014316.db2.gz AJUDTIDPJQPVPF-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2cn(C)nn2)C1 ZINC001166677326 820014474 /nfs/dbraw/zinc/01/44/74/820014474.db2.gz HSFNGBCLHREKHL-LBPRGKRZSA-N 2 1 294.403 -0.247 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001166694018 820015726 /nfs/dbraw/zinc/01/57/26/820015726.db2.gz UNHMXORFNSQKJM-WCQYABFASA-N 2 1 294.403 -0.391 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166694025 820016892 /nfs/dbraw/zinc/01/68/92/820016892.db2.gz UUCZZXJBZVLHPS-GHMZBOCLSA-N 2 1 270.377 -0.974 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001166708668 820019984 /nfs/dbraw/zinc/01/99/84/820019984.db2.gz VXGRULXDCHNNSC-DGCLKSJQSA-N 2 1 296.415 -0.441 20 0 CBADMP COC(=O)C1([NH3+])CCN(c2cc(C[NH3+])ncn2)CC1 ZINC001166797990 820038525 /nfs/dbraw/zinc/03/85/25/820038525.db2.gz ZCOVGJOQXYBKHP-UHFFFAOYSA-N 2 1 265.317 -0.594 20 0 CBADMP [NH3+]C[C@H]1CN(c2[nH+]ccc3c2NC(=O)CO3)CCO1 ZINC001166940176 820050565 /nfs/dbraw/zinc/05/05/65/820050565.db2.gz DLGRAQOHKVZJIJ-QMMMGPOBSA-N 2 1 264.285 -0.424 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001189659977 823771541 /nfs/dbraw/zinc/77/15/41/823771541.db2.gz KTWFJYHLHMBKNO-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1ncnc2c1C[NH2+]CC2 ZINC001167348091 820080331 /nfs/dbraw/zinc/08/03/31/820080331.db2.gz PBQDHKPZMGPIBO-UHFFFAOYSA-N 2 1 257.301 -0.754 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167471765 820094019 /nfs/dbraw/zinc/09/40/19/820094019.db2.gz NEQPGWSYYHBVGP-UHFFFAOYSA-N 2 1 295.387 -0.152 20 0 CBADMP COCCn1cc(NC(=[NH2+])SCC[NH3+])ncc1=O ZINC001167915230 820128842 /nfs/dbraw/zinc/12/88/42/820128842.db2.gz FRWQSTBHNABRLP-UHFFFAOYSA-N 2 1 271.346 -0.072 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168023151 820138762 /nfs/dbraw/zinc/13/87/62/820138762.db2.gz UTAOOQKJXILBQD-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001168139280 820146016 /nfs/dbraw/zinc/14/60/16/820146016.db2.gz ZLFJERQWSXLASQ-VXGBXAGGSA-N 2 1 296.415 -0.312 20 0 CBADMP [NH3+]C1CCN(c2nc(NC3(CO)COC3)cc[nH+]2)CC1 ZINC001168177234 820147929 /nfs/dbraw/zinc/14/79/29/820147929.db2.gz HEFWSPDCKJAYQQ-UHFFFAOYSA-N 2 1 279.344 -0.423 20 0 CBADMP C[NH+]1CCN(c2nccnc2-n2cc(C[NH3+])cn2)CC1 ZINC001168257943 820152669 /nfs/dbraw/zinc/15/26/69/820152669.db2.gz DWQJROBPMBPIRJ-UHFFFAOYSA-N 2 1 273.344 -0.127 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC001168369279 820158277 /nfs/dbraw/zinc/15/82/77/820158277.db2.gz NMDCKEJXBUITGK-UHFFFAOYSA-N 2 1 295.387 -0.186 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+]CC(N)=O ZINC001168363928 820158659 /nfs/dbraw/zinc/15/86/59/820158659.db2.gz YBQLFHKPESMKEF-UHFFFAOYSA-N 2 1 281.360 -0.447 20 0 CBADMP CN1C[C@H](CNc2nc(N3CC[NH2+]CC3)cc[nH+]2)CC1=O ZINC001168717713 820169817 /nfs/dbraw/zinc/16/98/17/820169817.db2.gz KDCRCCDRTSPQST-NSHDSACASA-N 2 1 290.371 -0.224 20 0 CBADMP [NH3+]Cc1ncn(-c2cncc(OCC[NH+]3CCCC3)n2)n1 ZINC001168750461 820174992 /nfs/dbraw/zinc/17/49/92/820174992.db2.gz OIOMQLAOZXZMMX-UHFFFAOYSA-N 2 1 289.343 -0.009 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C2 ZINC001169109476 820209256 /nfs/dbraw/zinc/20/92/56/820209256.db2.gz IZIXYQFJPFSEHD-ZSBIGDGJSA-N 3 1 286.380 -0.251 20 0 CBADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCN(CC[NH3+])N(O)N=O)C2 ZINC001169109476 820209262 /nfs/dbraw/zinc/20/92/62/820209262.db2.gz IZIXYQFJPFSEHD-ZSBIGDGJSA-N 2 1 286.380 -0.251 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCN(CC[NH3+])N(O)N=O)C2 ZINC001169109476 820209268 /nfs/dbraw/zinc/20/92/68/820209268.db2.gz IZIXYQFJPFSEHD-ZSBIGDGJSA-N 2 1 286.380 -0.251 20 0 CBADMP O=C(NCCC[NH2+]CCO)c1cnn(-c2cc[nH+]cc2)c1 ZINC001169470972 820247615 /nfs/dbraw/zinc/24/76/15/820247615.db2.gz AJXGRNSJZFRWSO-UHFFFAOYSA-N 2 1 289.339 -0.031 20 0 CBADMP CC(=O)N1CC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001169506247 820250223 /nfs/dbraw/zinc/25/02/23/820250223.db2.gz DQIVVKITGDSRBW-ZDUSSCGKSA-N 2 1 282.388 -0.639 20 0 CBADMP CC(=O)N1CC[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC001169530214 820252177 /nfs/dbraw/zinc/25/21/77/820252177.db2.gz AUUVQNXMOWCFGX-AWEZNQCLSA-N 2 1 268.405 -0.214 20 0 CBADMP CC(=O)N1CCC[C@@H]([NH2+]CCC[N@@H+](C)CCO)C1 ZINC001169594134 820260219 /nfs/dbraw/zinc/26/02/19/820260219.db2.gz KQPVJFIHHCLSSH-CYBMUJFWSA-N 2 1 257.378 -0.099 20 0 CBADMP C=CC(=O)NCCNc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001169799343 820264409 /nfs/dbraw/zinc/26/44/09/820264409.db2.gz BSISOURHTYMXNW-UHFFFAOYSA-N 2 1 276.344 -0.400 20 0 CBADMP C[C@@H](CCCC[NH2+]CCO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169991264 820272393 /nfs/dbraw/zinc/27/23/93/820272393.db2.gz MLMQPPMHBYFIAZ-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@@H](CCCC[NH2+]CCO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169991264 820272404 /nfs/dbraw/zinc/27/24/04/820272404.db2.gz MLMQPPMHBYFIAZ-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP C[NH+]1CCN(c2nccnc2NC[C@H]2COCC[NH2+]2)CC1 ZINC001170043219 820275381 /nfs/dbraw/zinc/27/53/81/820275381.db2.gz VUBADSWIIBBJAJ-LBPRGKRZSA-N 2 1 292.387 -0.371 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH2+]CCC[NH+](CCO)CCO)C1 ZINC001170503336 820295992 /nfs/dbraw/zinc/29/59/92/820295992.db2.gz KMLNGEIKKBNRIA-OLZOCXBDSA-N 2 1 288.388 -0.406 20 0 CBADMP Cc1[nH+]ccn1-c1cc(N[C@H]2C[NH2+]C[C@H]2CO)ncn1 ZINC001170776054 820319037 /nfs/dbraw/zinc/31/90/37/820319037.db2.gz NXQVFJCDPHXQIO-QWRGUYRKSA-N 2 1 274.328 -0.037 20 0 CBADMP Cc1[nH+]ccn1-c1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)ncn1 ZINC001170776050 820319216 /nfs/dbraw/zinc/31/92/16/820319216.db2.gz NXQVFJCDPHXQIO-GHMZBOCLSA-N 2 1 274.328 -0.037 20 0 CBADMP C[NH+]1CCN(c2ncc(N[C@@H]3C[NH2+]C[C@H]3CO)cn2)CC1 ZINC001170777879 820321393 /nfs/dbraw/zinc/32/13/93/820321393.db2.gz FLIDEKXUODEMKT-WCQYABFASA-N 2 1 292.387 -0.779 20 0 CBADMP NC(=O)c1cc(Cl)nnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170898264 820332724 /nfs/dbraw/zinc/33/27/24/820332724.db2.gz RNCQABNPZUNUCC-SSDOTTSWSA-N 2 1 258.713 -0.336 20 0 CBADMP C[C@@H]1CN(c2ccc(N[C@@H](N)CCC[NH3+])nn2)CC[NH2+]1 ZINC001170897098 820333919 /nfs/dbraw/zinc/33/39/19/820333919.db2.gz DBTHOJBGXNNAFL-GHMZBOCLSA-N 2 1 279.392 -0.290 20 0 CBADMP N[C@H](CCC[NH3+])Nc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001170899157 820334874 /nfs/dbraw/zinc/33/48/74/820334874.db2.gz IAGHUQUTCXMRPR-QWRGUYRKSA-N 2 1 266.349 -0.347 20 0 CBADMP N[C@H](CCC[NH3+])Nc1ccc(OC2C[NH2+]C2)cn1 ZINC001170906865 820335594 /nfs/dbraw/zinc/33/55/94/820335594.db2.gz YIBQGMRGXJNJCY-NSHDSACASA-N 2 1 251.334 -0.132 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171227367 820350113 /nfs/dbraw/zinc/35/01/13/820350113.db2.gz OTAVWKCTRXTDGC-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001171216359 820350246 /nfs/dbraw/zinc/35/02/46/820350246.db2.gz HDCZGNQHQLNYIW-CHWSQXEVSA-N 2 1 296.415 -0.297 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001171217487 820351203 /nfs/dbraw/zinc/35/12/03/820351203.db2.gz NTPQYYAURWVYBB-RYUDHWBXSA-N 2 1 282.388 -0.687 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171227069 820352104 /nfs/dbraw/zinc/35/21/04/820352104.db2.gz MMRWUIFGBWZNDY-STQMWFEESA-N 2 1 287.404 -0.569 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CCOCCO)C1 ZINC001171228697 820352345 /nfs/dbraw/zinc/35/23/45/820352345.db2.gz UJVIXZDXVMZBSR-CYBMUJFWSA-N 2 1 287.404 -0.567 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC ZINC001171762992 820370431 /nfs/dbraw/zinc/37/04/31/820370431.db2.gz PKWUCFDGVFVUDO-LLVKDONJSA-N 2 1 272.393 -0.441 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001171762588 820371043 /nfs/dbraw/zinc/37/10/43/820371043.db2.gz HBNCGKVDWZUDQB-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC(N)=O ZINC001171725179 820371334 /nfs/dbraw/zinc/37/13/34/820371334.db2.gz HHHIJQQCVKVOCV-UHFFFAOYSA-N 2 1 258.366 -0.701 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NS(=O)(=O)CC[NH3+])C2 ZINC001172100224 820382431 /nfs/dbraw/zinc/38/24/31/820382431.db2.gz BKDMNQXNDGMCEZ-JGPRNRPPSA-N 2 1 261.391 -0.120 20 0 CBADMP COCCC[NH+]1CCC([N@@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001172251125 820392406 /nfs/dbraw/zinc/39/24/06/820392406.db2.gz BDLSVPFZZXYCAN-OCCSQVGLSA-N 2 1 272.389 -0.228 20 0 CBADMP COCCC[NH+]1CCC([N@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001172251125 820392413 /nfs/dbraw/zinc/39/24/13/820392413.db2.gz BDLSVPFZZXYCAN-OCCSQVGLSA-N 2 1 272.389 -0.228 20 0 CBADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001172244280 820392995 /nfs/dbraw/zinc/39/29/95/820392995.db2.gz ALAUOYMLQKOMOA-GFCCVEGCSA-N 2 1 283.372 -0.118 20 0 CBADMP COCCC[NH+]1CCC([N@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC001172251126 820393049 /nfs/dbraw/zinc/39/30/49/820393049.db2.gz BDLSVPFZZXYCAN-TZMCWYRMSA-N 2 1 272.389 -0.228 20 0 CBADMP COCCC[NH+]1CCC([N@@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC001172251126 820393059 /nfs/dbraw/zinc/39/30/59/820393059.db2.gz BDLSVPFZZXYCAN-TZMCWYRMSA-N 2 1 272.389 -0.228 20 0 CBADMP CC[N@H+]1CC[C@@H](N2CCN(C)C[C@@H]2C(=O)OC)C1 ZINC001173369953 820403048 /nfs/dbraw/zinc/40/30/48/820403048.db2.gz BXQUCTJZJARYIS-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@@H+]1CC[C@@H](N2CC[NH+](C)C[C@@H]2C(=O)OC)C1 ZINC001173369953 820403050 /nfs/dbraw/zinc/40/30/50/820403050.db2.gz BXQUCTJZJARYIS-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C)C[C@@H]2C(=O)OC)C1 ZINC001173369953 820403053 /nfs/dbraw/zinc/40/30/53/820403053.db2.gz BXQUCTJZJARYIS-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC[C@@H](N2CC[N@H+](C)C[C@@H]2C(=O)OC)C1 ZINC001173369953 820403057 /nfs/dbraw/zinc/40/30/57/820403057.db2.gz BXQUCTJZJARYIS-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC[C@@H](N2CC[N@@H+](C)C[C@@H]2C(=O)OC)C1 ZINC001173369953 820403062 /nfs/dbraw/zinc/40/30/62/820403062.db2.gz BXQUCTJZJARYIS-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001176058065 820437653 /nfs/dbraw/zinc/43/76/53/820437653.db2.gz SXSNARCAAISLFJ-LBPRGKRZSA-N 2 1 297.403 -0.941 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001176096354 820440704 /nfs/dbraw/zinc/44/07/04/820440704.db2.gz RBPJQHFQOKIJIN-VXGBXAGGSA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH+]1CCN(c2ncc(-n3c[nH+]cc3N)cn2)CC1 ZINC001176630166 820453024 /nfs/dbraw/zinc/45/30/24/820453024.db2.gz FZPWJOGZADMVJL-UHFFFAOYSA-N 2 1 259.317 -0.004 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H](C)O)C1 ZINC001176644062 820454608 /nfs/dbraw/zinc/45/46/08/820454608.db2.gz KTKVAVFUKDBJRU-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H](C)O)C1 ZINC001176644062 820454613 /nfs/dbraw/zinc/45/46/13/820454613.db2.gz KTKVAVFUKDBJRU-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1nnnn1C ZINC001176972232 820484503 /nfs/dbraw/zinc/48/45/03/820484503.db2.gz RQRRIVZEDJGKPV-LLVKDONJSA-N 2 1 297.407 -0.293 20 0 CBADMP CC[C@@H]([NH2+]CCCNC(=O)C[N@@H+](C)C(C)C)C(N)=O ZINC001176975061 820485082 /nfs/dbraw/zinc/48/50/82/820485082.db2.gz JRIBHRXEZFPTTO-LLVKDONJSA-N 2 1 272.393 -0.314 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCO ZINC001176992468 820486579 /nfs/dbraw/zinc/48/65/79/820486579.db2.gz QFCXPTMJBKEEPR-GFCCVEGCSA-N 2 1 257.378 -0.051 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001178045152 820557090 /nfs/dbraw/zinc/55/70/90/820557090.db2.gz DZVYOBVRWOGGAK-LBPRGKRZSA-N 2 1 284.404 -0.168 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178356177 820576948 /nfs/dbraw/zinc/57/69/48/820576948.db2.gz JABUBTXTZXDPTQ-SDDRHHMPSA-N 2 1 282.388 -0.594 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[N@@H+]3CC[C@H]3C2)CC1 ZINC001178951816 820608381 /nfs/dbraw/zinc/60/83/81/820608381.db2.gz OKXWZPLCKLHQFB-LBPRGKRZSA-N 2 1 252.362 -0.850 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[N@H+]3CC[C@H]3C2)CC1 ZINC001178951816 820608384 /nfs/dbraw/zinc/60/83/84/820608384.db2.gz OKXWZPLCKLHQFB-LBPRGKRZSA-N 2 1 252.362 -0.850 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001179008745 820613680 /nfs/dbraw/zinc/61/36/80/820613680.db2.gz RBNSJCCMPWMOMM-NEPJUHHUSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001179008746 820614706 /nfs/dbraw/zinc/61/47/06/820614706.db2.gz RBNSJCCMPWMOMM-NWDGAFQWSA-N 2 1 267.373 -0.083 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001179539059 820631519 /nfs/dbraw/zinc/63/15/19/820631519.db2.gz NNRWBJHFXKTDFB-AGIUHOORSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001179587127 820635302 /nfs/dbraw/zinc/63/53/02/820635302.db2.gz WIFGLAAZBOBEEB-OLZOCXBDSA-N 2 1 298.431 -0.064 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001179852534 820643335 /nfs/dbraw/zinc/64/33/35/820643335.db2.gz UKQWGBXYCAWXOK-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C ZINC001179982712 820647223 /nfs/dbraw/zinc/64/72/23/820647223.db2.gz DHYIPQWKFYXSLE-SRVKXCTJSA-N 2 1 284.404 -0.219 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124528 820650738 /nfs/dbraw/zinc/65/07/38/820650738.db2.gz IMVWINJSNSFMFO-SRVKXCTJSA-N 2 1 282.388 -0.737 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCN2CCC[NH+](C)CC2)C1 ZINC001180762768 820722291 /nfs/dbraw/zinc/72/22/91/820722291.db2.gz DWYCLCIOFRZDPP-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCN2CCC[NH+](C)CC2)C1 ZINC001180762768 820722300 /nfs/dbraw/zinc/72/23/00/820722300.db2.gz DWYCLCIOFRZDPP-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCCN2CCC[N@H+](C)CC2)C1 ZINC001180762768 820722304 /nfs/dbraw/zinc/72/23/04/820722304.db2.gz DWYCLCIOFRZDPP-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCCN2CCC[N@@H+](C)CC2)C1 ZINC001180762768 820722316 /nfs/dbraw/zinc/72/23/16/820722316.db2.gz DWYCLCIOFRZDPP-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001180764460 820724604 /nfs/dbraw/zinc/72/46/04/820724604.db2.gz YEGFUZBBQWRXOK-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001180764460 820724612 /nfs/dbraw/zinc/72/46/12/820724612.db2.gz YEGFUZBBQWRXOK-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCC[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180764460 820724620 /nfs/dbraw/zinc/72/46/20/820724620.db2.gz YEGFUZBBQWRXOK-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCC[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180764460 820724628 /nfs/dbraw/zinc/72/46/28/820724628.db2.gz YEGFUZBBQWRXOK-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001180899474 820739508 /nfs/dbraw/zinc/73/95/08/820739508.db2.gz MGAPCWLYXKDDIS-LALPHHSUSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001181651266 820807044 /nfs/dbraw/zinc/80/70/44/820807044.db2.gz ABAIZBRPEXSNHV-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP COCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181653320 820807524 /nfs/dbraw/zinc/80/75/24/820807524.db2.gz XSQAHRBLCKLGTP-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCCF)C2)C1 ZINC001181821507 820834443 /nfs/dbraw/zinc/83/44/43/820834443.db2.gz AHCMYRHTFQWETD-NEPJUHHUSA-N 2 1 273.352 -0.133 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCCF)C2)C1 ZINC001181821507 820834452 /nfs/dbraw/zinc/83/44/52/820834452.db2.gz AHCMYRHTFQWETD-NEPJUHHUSA-N 2 1 273.352 -0.133 20 0 CBADMP CCCCC[N@H+](C)CCC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001181868301 820835835 /nfs/dbraw/zinc/83/58/35/820835835.db2.gz FWGKZHIXZAEJIJ-MELADBBJSA-N 2 1 298.435 -0.982 20 0 CBADMP CCCCC[N@@H+](C)CCC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001181868301 820835841 /nfs/dbraw/zinc/83/58/41/820835841.db2.gz FWGKZHIXZAEJIJ-MELADBBJSA-N 2 1 298.435 -0.982 20 0 CBADMP C[NH+]1CCC(O)(C(=O)N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)CC1 ZINC001182032774 820854637 /nfs/dbraw/zinc/85/46/37/820854637.db2.gz IWESFODNXYESKG-OLZOCXBDSA-N 2 1 281.400 -0.004 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C1(O)CC[NH+](C)CC1 ZINC001182034716 820855228 /nfs/dbraw/zinc/85/52/28/820855228.db2.gz XWDHRPCUUVKTMJ-UHFFFAOYSA-N 2 1 266.345 -0.236 20 0 CBADMP C[NH+](C)C1(C(=O)N(c2ncccn2)C2C[NH2+]C2)CC1 ZINC001182598184 820929618 /nfs/dbraw/zinc/92/96/18/820929618.db2.gz YEGKSKDNTUQAEU-UHFFFAOYSA-N 2 1 261.329 -0.124 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183411204 820992445 /nfs/dbraw/zinc/99/24/45/820992445.db2.gz YTEGARKTHGLDHM-LALPHHSUSA-N 2 1 296.415 -0.502 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[NH+]2CC[C@H]2C1 ZINC001185256252 821111801 /nfs/dbraw/zinc/11/18/01/821111801.db2.gz CWCIMXAYAVGDJV-RYUDHWBXSA-N 2 1 252.362 -0.851 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001185256252 821111805 /nfs/dbraw/zinc/11/18/05/821111805.db2.gz CWCIMXAYAVGDJV-RYUDHWBXSA-N 2 1 252.362 -0.851 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001185256252 821111809 /nfs/dbraw/zinc/11/18/09/821111809.db2.gz CWCIMXAYAVGDJV-RYUDHWBXSA-N 2 1 252.362 -0.851 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+]2CC[C@@H]2C1 ZINC001185256253 821112601 /nfs/dbraw/zinc/11/26/01/821112601.db2.gz CWCIMXAYAVGDJV-VXGBXAGGSA-N 2 1 252.362 -0.851 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001185256253 821112612 /nfs/dbraw/zinc/11/26/12/821112612.db2.gz CWCIMXAYAVGDJV-VXGBXAGGSA-N 2 1 252.362 -0.851 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001185256253 821112619 /nfs/dbraw/zinc/11/26/19/821112619.db2.gz CWCIMXAYAVGDJV-VXGBXAGGSA-N 2 1 252.362 -0.851 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001185258205 821113860 /nfs/dbraw/zinc/11/38/60/821113860.db2.gz QNTIUMLONZDREQ-OLZOCXBDSA-N 2 1 284.404 -0.979 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001185258703 821113904 /nfs/dbraw/zinc/11/39/04/821113904.db2.gz YORVMJGJXPKJES-UMVBOHGHSA-N 2 1 280.416 -0.358 20 0 CBADMP Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001185408374 821128490 /nfs/dbraw/zinc/12/84/90/821128490.db2.gz QLQAVZBIFSDSAN-LLVKDONJSA-N 2 1 280.376 -0.543 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185650084 821136203 /nfs/dbraw/zinc/13/62/03/821136203.db2.gz BXKXVMPBYKAJGS-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](O)C3)C[C@H]2C1 ZINC001186043911 821154801 /nfs/dbraw/zinc/15/48/01/821154801.db2.gz AZGAOBNONPFFAY-MJBXVCDLSA-N 2 1 281.400 -0.147 20 0 CBADMP CCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C[C@H]2C1 ZINC001186043911 821154805 /nfs/dbraw/zinc/15/48/05/821154805.db2.gz AZGAOBNONPFFAY-MJBXVCDLSA-N 2 1 281.400 -0.147 20 0 CBADMP CCC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@H](O)C3)C[C@H]2C1 ZINC001186043911 821154808 /nfs/dbraw/zinc/15/48/08/821154808.db2.gz AZGAOBNONPFFAY-MJBXVCDLSA-N 2 1 281.400 -0.147 20 0 CBADMP O=C(C[N@H+]1CC[C@H](O)C1)N1CC[NH+]2CCC1CC2 ZINC001186043801 821154823 /nfs/dbraw/zinc/15/48/23/821154823.db2.gz AQULVACUPAYYJH-LBPRGKRZSA-N 2 1 253.346 -0.640 20 0 CBADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CC[NH+]2CCC1CC2 ZINC001186043801 821154824 /nfs/dbraw/zinc/15/48/24/821154824.db2.gz AQULVACUPAYYJH-LBPRGKRZSA-N 2 1 253.346 -0.640 20 0 CBADMP C[N@@H+]1CCC[C@@H](CCNC(=O)C[NH+]2CC[C@H](O)C2)C1 ZINC001186048592 821158491 /nfs/dbraw/zinc/15/84/91/821158491.db2.gz HEPNHVVSLCCZIO-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C[NH+]2CC[C@H](O)C2)C1 ZINC001186048592 821158496 /nfs/dbraw/zinc/15/84/96/821158496.db2.gz HEPNHVVSLCCZIO-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@@H](CCNC(=O)C[N@@H+]2CC[C@H](O)C2)C1 ZINC001186048592 821158500 /nfs/dbraw/zinc/15/85/00/821158500.db2.gz HEPNHVVSLCCZIO-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@@H](CCNC(=O)C[N@H+]2CC[C@H](O)C2)C1 ZINC001186048592 821158504 /nfs/dbraw/zinc/15/85/04/821158504.db2.gz HEPNHVVSLCCZIO-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@@H+]1CCC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](O)C2)C1 ZINC001186048591 821158548 /nfs/dbraw/zinc/15/85/48/821158548.db2.gz HEPNHVVSLCCZIO-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](O)C2)C1 ZINC001186048591 821158554 /nfs/dbraw/zinc/15/85/54/821158554.db2.gz HEPNHVVSLCCZIO-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@@H](CCNC(=O)C[N@@H+]2CC[C@@H](O)C2)C1 ZINC001186048591 821158560 /nfs/dbraw/zinc/15/85/60/821158560.db2.gz HEPNHVVSLCCZIO-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@@H](CCNC(=O)C[N@H+]2CC[C@@H](O)C2)C1 ZINC001186048591 821158564 /nfs/dbraw/zinc/15/85/64/821158564.db2.gz HEPNHVVSLCCZIO-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP N=c1sc2c(n1C(=O)C[N@@H+]1CC[C@H](O)C1)CC[C@H]([NH3+])C2 ZINC001186051487 821161710 /nfs/dbraw/zinc/16/17/10/821161710.db2.gz ZVFZJTCKZWANBW-IUCAKERBSA-N 2 1 296.396 -0.448 20 0 CBADMP N=c1sc2c(n1C(=O)C[N@H+]1CC[C@H](O)C1)CC[C@H]([NH3+])C2 ZINC001186051487 821161714 /nfs/dbraw/zinc/16/17/14/821161714.db2.gz ZVFZJTCKZWANBW-IUCAKERBSA-N 2 1 296.396 -0.448 20 0 CBADMP COCCC1([NH3+])CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001186056565 821165235 /nfs/dbraw/zinc/16/52/35/821165235.db2.gz GHIQRIKJGCOQEN-GFCCVEGCSA-N 2 1 285.388 -0.591 20 0 CBADMP C[N@@H+]1CCC[C@](C)(NC(=O)C[NH+]2CC[C@H](O)C2)C1 ZINC001186058935 821167369 /nfs/dbraw/zinc/16/73/69/821167369.db2.gz YGOPTPDKKBRFQH-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)C[NH+]2CC[C@H](O)C2)C1 ZINC001186058935 821167375 /nfs/dbraw/zinc/16/73/75/821167375.db2.gz YGOPTPDKKBRFQH-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@](C)(NC(=O)C[N@@H+]2CC[C@H](O)C2)C1 ZINC001186058935 821167380 /nfs/dbraw/zinc/16/73/80/821167380.db2.gz YGOPTPDKKBRFQH-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@](C)(NC(=O)C[N@H+]2CC[C@H](O)C2)C1 ZINC001186058935 821167384 /nfs/dbraw/zinc/16/73/84/821167384.db2.gz YGOPTPDKKBRFQH-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001186367157 821179375 /nfs/dbraw/zinc/17/93/75/821179375.db2.gz NOYOQCKGHBKYMD-CYBMUJFWSA-N 2 1 285.388 -0.718 20 0 CBADMP C[N@H+]1CCC[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001186345421 821180201 /nfs/dbraw/zinc/18/02/01/821180201.db2.gz IDQXXKYDAACKLN-VIFPVBQESA-N 2 1 263.363 -0.925 20 0 CBADMP COCCNC(=O)NCC1(N(C)C)CC[NH+](C)CC1 ZINC001186558050 821186546 /nfs/dbraw/zinc/18/65/46/821186546.db2.gz AFCASDBKXVLECG-UHFFFAOYSA-N 2 1 272.393 -0.042 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001186816541 821198155 /nfs/dbraw/zinc/19/81/55/821198155.db2.gz AEBWJDDEJQNQLX-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001186824754 821198952 /nfs/dbraw/zinc/19/89/52/821198952.db2.gz KIDDBVYRTJRIRL-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001186824754 821198959 /nfs/dbraw/zinc/19/89/59/821198959.db2.gz KIDDBVYRTJRIRL-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187106569 821212231 /nfs/dbraw/zinc/21/22/31/821212231.db2.gz KBAPQUQVEHKIGT-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001279717212 828335598 /nfs/dbraw/zinc/33/55/98/828335598.db2.gz KNZLBYKINMRXPM-YNEHKIRRSA-N 2 1 287.404 -0.882 20 0 CBADMP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N(CCO)CC[NH2+]CCO ZINC001279737203 828337112 /nfs/dbraw/zinc/33/71/12/828337112.db2.gz IPQZDWJEVFNUSE-UONOGXRCSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001280152282 828344590 /nfs/dbraw/zinc/34/45/90/828344590.db2.gz KMUHNORQKIQHNF-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP COCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001280666390 828370611 /nfs/dbraw/zinc/37/06/11/828370611.db2.gz FWTDLBHZWYVWPL-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CCOC)C1 ZINC001280659967 828371128 /nfs/dbraw/zinc/37/11/28/828371128.db2.gz OUDCQYKUKGWRRB-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP COCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001280666401 828371338 /nfs/dbraw/zinc/37/13/38/828371338.db2.gz FWTDLBHZWYVWPL-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC001187306697 822265955 /nfs/dbraw/zinc/26/59/55/822265955.db2.gz MSCWQDKIACVSFS-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001187322699 822267752 /nfs/dbraw/zinc/26/77/52/822267752.db2.gz SPXGDFAPJSFXHS-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP COCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001281255556 828410524 /nfs/dbraw/zinc/41/05/24/828410524.db2.gz VHUZNSWWJQSLNM-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187825336 822297873 /nfs/dbraw/zinc/29/78/73/822297873.db2.gz KWMJPMSBEJZFOM-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187818577 822297931 /nfs/dbraw/zinc/29/79/31/822297931.db2.gz REKSQWBOZLZAHS-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187826353 822297983 /nfs/dbraw/zinc/29/79/83/822297983.db2.gz XZMPPCAULNNGMO-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001187825673 822298345 /nfs/dbraw/zinc/29/83/45/822298345.db2.gz QCVMAJZHGJLEEB-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001187851793 822299714 /nfs/dbraw/zinc/29/97/14/822299714.db2.gz UOHFGHAPCLGZMG-GFCCVEGCSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001187842526 822301368 /nfs/dbraw/zinc/30/13/68/822301368.db2.gz OSOLDXCFUDTBPW-CYBMUJFWSA-N 2 1 296.371 -0.609 20 0 CBADMP CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001188002872 822315505 /nfs/dbraw/zinc/31/55/05/822315505.db2.gz XYMLGVIBJJHCOO-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001188002872 822315513 /nfs/dbraw/zinc/31/55/13/822315513.db2.gz XYMLGVIBJJHCOO-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CCO)[C@@H](C)C1 ZINC001281457495 828416736 /nfs/dbraw/zinc/41/67/36/828416736.db2.gz IUSZXANDHYCMEG-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001281821332 828426289 /nfs/dbraw/zinc/42/62/89/828426289.db2.gz ULKCXZYPLWEXJU-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCO)C1 ZINC001281457493 828417206 /nfs/dbraw/zinc/41/72/06/828417206.db2.gz IUSZXANDHYCMEG-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001282478405 828449030 /nfs/dbraw/zinc/44/90/30/828449030.db2.gz QJQFBYRZFBUCGE-RYUDHWBXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](CCC[NH2+]CCO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001283215600 828508596 /nfs/dbraw/zinc/50/85/96/828508596.db2.gz XARNRLZMCCIKTM-VXGBXAGGSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@H](CCC[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283279708 828511242 /nfs/dbraw/zinc/51/12/42/828511242.db2.gz YPIQBCUBAOKXCT-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+]C(C)C ZINC001283781483 828546833 /nfs/dbraw/zinc/54/68/33/828546833.db2.gz DZNZXBHLOJWLEV-LLVKDONJSA-N 2 1 254.334 -0.333 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055238 823731810 /nfs/dbraw/zinc/73/18/10/823731810.db2.gz QXOJPWGVWUINOK-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055180 823731136 /nfs/dbraw/zinc/73/11/36/823731136.db2.gz OJEVTDBBJGLFHS-BFHYXJOUSA-N 2 1 299.415 -0.522 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055240 823731799 /nfs/dbraw/zinc/73/17/99/823731799.db2.gz QXOJPWGVWUINOK-RWMBFGLXSA-N 2 1 269.389 -0.148 20 0 CBADMP C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189391361 823752497 /nfs/dbraw/zinc/75/24/97/823752497.db2.gz XOTVGIIKIWTSFU-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCOCCO)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189391361 823752505 /nfs/dbraw/zinc/75/25/05/823752505.db2.gz XOTVGIIKIWTSFU-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCOCCO)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189391361 823752509 /nfs/dbraw/zinc/75/25/09/823752509.db2.gz XOTVGIIKIWTSFU-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189391353 823753621 /nfs/dbraw/zinc/75/36/21/823753621.db2.gz XOTVGIIKIWTSFU-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCOCCO)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189391353 823753626 /nfs/dbraw/zinc/75/36/26/823753626.db2.gz XOTVGIIKIWTSFU-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCOCCO)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189391353 823753631 /nfs/dbraw/zinc/75/36/31/823753631.db2.gz XOTVGIIKIWTSFU-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP COCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517245 823763322 /nfs/dbraw/zinc/76/33/22/823763322.db2.gz OTNCRIXYOKGMPD-OLZOCXBDSA-N 2 1 285.388 -0.504 20 0 CBADMP COCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517245 823763335 /nfs/dbraw/zinc/76/33/35/823763335.db2.gz OTNCRIXYOKGMPD-OLZOCXBDSA-N 2 1 285.388 -0.504 20 0 CBADMP COCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189517245 823763343 /nfs/dbraw/zinc/76/33/43/823763343.db2.gz OTNCRIXYOKGMPD-OLZOCXBDSA-N 2 1 285.388 -0.504 20 0 CBADMP COCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189517245 823763350 /nfs/dbraw/zinc/76/33/50/823763350.db2.gz OTNCRIXYOKGMPD-OLZOCXBDSA-N 2 1 285.388 -0.504 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001189659977 823771527 /nfs/dbraw/zinc/77/15/27/823771527.db2.gz KTWFJYHLHMBKNO-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001189659977 823771533 /nfs/dbraw/zinc/77/15/33/823771533.db2.gz KTWFJYHLHMBKNO-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001189659977 823771537 /nfs/dbraw/zinc/77/15/37/823771537.db2.gz KTWFJYHLHMBKNO-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP COCC[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189810882 823775584 /nfs/dbraw/zinc/77/55/84/823775584.db2.gz LDIRFJJESXQFEE-UONOGXRCSA-N 2 1 299.415 -0.256 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001189907070 823787914 /nfs/dbraw/zinc/78/79/14/823787914.db2.gz SPKWCRDDOOHORC-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001189907070 823787920 /nfs/dbraw/zinc/78/79/20/823787920.db2.gz SPKWCRDDOOHORC-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001189907070 823787927 /nfs/dbraw/zinc/78/79/27/823787927.db2.gz SPKWCRDDOOHORC-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001189907070 823787933 /nfs/dbraw/zinc/78/79/33/823787933.db2.gz SPKWCRDDOOHORC-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045309 823942972 /nfs/dbraw/zinc/94/29/72/823942972.db2.gz CATPIJYSUKQHCK-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192039500 823943974 /nfs/dbraw/zinc/94/39/74/823943974.db2.gz YRGXHWTWFRAIQB-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192039500 823943976 /nfs/dbraw/zinc/94/39/76/823943976.db2.gz YRGXHWTWFRAIQB-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170108 823956147 /nfs/dbraw/zinc/95/61/47/823956147.db2.gz HJDTUJQMVVERMQ-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192385063 823962403 /nfs/dbraw/zinc/96/24/03/823962403.db2.gz DCORJQVEYPZWPP-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192385063 823962404 /nfs/dbraw/zinc/96/24/04/823962404.db2.gz DCORJQVEYPZWPP-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192387167 823964005 /nfs/dbraw/zinc/96/40/05/823964005.db2.gz VITFOWOCTJDKTP-LBPRGKRZSA-N 2 1 298.431 -0.018 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192387167 823964001 /nfs/dbraw/zinc/96/40/01/823964001.db2.gz VITFOWOCTJDKTP-LBPRGKRZSA-N 2 1 298.431 -0.018 20 0 CBADMP C[NH+](CC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1)CC(C)(C)C ZINC001192387167 823964018 /nfs/dbraw/zinc/96/40/18/823964018.db2.gz VITFOWOCTJDKTP-LBPRGKRZSA-N 2 1 298.431 -0.018 20 0 CBADMP C[NH+](CC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1)CC(C)(C)C ZINC001192387167 823964030 /nfs/dbraw/zinc/96/40/30/823964030.db2.gz VITFOWOCTJDKTP-LBPRGKRZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001284436786 828596033 /nfs/dbraw/zinc/59/60/33/828596033.db2.gz VBXLSUONRJIOTJ-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001192947026 823992751 /nfs/dbraw/zinc/99/27/51/823992751.db2.gz GODDWPKCOJBLTH-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001192948234 823993312 /nfs/dbraw/zinc/99/33/12/823993312.db2.gz QXYRWVWRTZPUMO-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC)C1 ZINC001192960062 823994115 /nfs/dbraw/zinc/99/41/15/823994115.db2.gz MURAOFNNNGDNGM-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)C(N)=O)C1 ZINC001193278127 824017736 /nfs/dbraw/zinc/01/77/36/824017736.db2.gz FAOYQVWFWVTTOS-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)C(N)=O)C1 ZINC001193278127 824017740 /nfs/dbraw/zinc/01/77/40/824017740.db2.gz FAOYQVWFWVTTOS-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001193278127 824017742 /nfs/dbraw/zinc/01/77/42/824017742.db2.gz FAOYQVWFWVTTOS-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H]2CCNC2=O)C1 ZINC001193293248 824018990 /nfs/dbraw/zinc/01/89/90/824018990.db2.gz ZFFZGDOUZNCVLW-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC001193293248 824018998 /nfs/dbraw/zinc/01/89/98/824018998.db2.gz ZFFZGDOUZNCVLW-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001193293248 824019006 /nfs/dbraw/zinc/01/90/06/824019006.db2.gz ZFFZGDOUZNCVLW-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC(=O)NC)C1 ZINC001193620758 824040961 /nfs/dbraw/zinc/04/09/61/824040961.db2.gz ADYBHOQLBSBOJJ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC(=O)NC)C1 ZINC001193620758 824040965 /nfs/dbraw/zinc/04/09/65/824040965.db2.gz ADYBHOQLBSBOJJ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC)C1 ZINC001193620758 824040968 /nfs/dbraw/zinc/04/09/68/824040968.db2.gz ADYBHOQLBSBOJJ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC)C1 ZINC001193620758 824040971 /nfs/dbraw/zinc/04/09/71/824040971.db2.gz ADYBHOQLBSBOJJ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193766031 824045051 /nfs/dbraw/zinc/04/50/51/824045051.db2.gz OOCDBUFGYFWHBD-VXGBXAGGSA-N 2 1 285.388 -0.722 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193766031 824045056 /nfs/dbraw/zinc/04/50/56/824045056.db2.gz OOCDBUFGYFWHBD-VXGBXAGGSA-N 2 1 285.388 -0.722 20 0 CBADMP CN(C)C(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194000294 824054465 /nfs/dbraw/zinc/05/44/65/824054465.db2.gz AKWUJZVVVQKVDA-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194000294 824054470 /nfs/dbraw/zinc/05/44/70/824054470.db2.gz AKWUJZVVVQKVDA-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194000294 824054475 /nfs/dbraw/zinc/05/44/75/824054475.db2.gz AKWUJZVVVQKVDA-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194000294 824054477 /nfs/dbraw/zinc/05/44/77/824054477.db2.gz AKWUJZVVVQKVDA-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194000294 824054480 /nfs/dbraw/zinc/05/44/80/824054480.db2.gz AKWUJZVVVQKVDA-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP CNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194001953 824054927 /nfs/dbraw/zinc/05/49/27/824054927.db2.gz LKZJQUSIRRTDHG-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001953 824054933 /nfs/dbraw/zinc/05/49/33/824054933.db2.gz LKZJQUSIRRTDHG-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001953 824054938 /nfs/dbraw/zinc/05/49/38/824054938.db2.gz LKZJQUSIRRTDHG-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194001953 824054941 /nfs/dbraw/zinc/05/49/41/824054941.db2.gz LKZJQUSIRRTDHG-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194001953 824054945 /nfs/dbraw/zinc/05/49/45/824054945.db2.gz LKZJQUSIRRTDHG-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(C)C(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194000295 824055050 /nfs/dbraw/zinc/05/50/50/824055050.db2.gz AKWUJZVVVQKVDA-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194000295 824055056 /nfs/dbraw/zinc/05/50/56/824055056.db2.gz AKWUJZVVVQKVDA-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194000295 824055060 /nfs/dbraw/zinc/05/50/60/824055060.db2.gz AKWUJZVVVQKVDA-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194000295 824055062 /nfs/dbraw/zinc/05/50/62/824055062.db2.gz AKWUJZVVVQKVDA-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194000295 824055066 /nfs/dbraw/zinc/05/50/66/824055066.db2.gz AKWUJZVVVQKVDA-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP C[N@@H+](CCCO)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194036670 824056458 /nfs/dbraw/zinc/05/64/58/824056458.db2.gz BYOYSMXAJKFLSS-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194027278 824057114 /nfs/dbraw/zinc/05/71/14/824057114.db2.gz QVWLKANFSMEXLE-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194027278 824057121 /nfs/dbraw/zinc/05/71/21/824057121.db2.gz QVWLKANFSMEXLE-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001194118835 824060207 /nfs/dbraw/zinc/06/02/07/824060207.db2.gz JVLCCICXMJJHRT-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001194118835 824060212 /nfs/dbraw/zinc/06/02/12/824060212.db2.gz JVLCCICXMJJHRT-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001194118835 824060218 /nfs/dbraw/zinc/06/02/18/824060218.db2.gz JVLCCICXMJJHRT-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001194118835 824060220 /nfs/dbraw/zinc/06/02/20/824060220.db2.gz JVLCCICXMJJHRT-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194284757 824067594 /nfs/dbraw/zinc/06/75/94/824067594.db2.gz NDAMUXICCLLILK-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194284757 824067597 /nfs/dbraw/zinc/06/75/97/824067597.db2.gz NDAMUXICCLLILK-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194284757 824067603 /nfs/dbraw/zinc/06/76/03/824067603.db2.gz NDAMUXICCLLILK-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194284757 824067607 /nfs/dbraw/zinc/06/76/07/824067607.db2.gz NDAMUXICCLLILK-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871251 824135224 /nfs/dbraw/zinc/13/52/24/824135224.db2.gz OUAGGXFZSMRSDU-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859358 824134360 /nfs/dbraw/zinc/13/43/60/824134360.db2.gz HSVXOQFPTVBMFH-QJPTWQEYSA-N 2 1 273.377 -0.866 20 0 CBADMP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)OC ZINC001195859046 824134704 /nfs/dbraw/zinc/13/47/04/824134704.db2.gz COYHRSFTUSQZRA-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001195860031 824135803 /nfs/dbraw/zinc/13/58/03/824135803.db2.gz SHXIGJUMKYYDFK-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001195860032 824135856 /nfs/dbraw/zinc/13/58/56/824135856.db2.gz SHXIGJUMKYYDFK-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195980875 824140418 /nfs/dbraw/zinc/14/04/18/824140418.db2.gz JBICIQOSTMOCJF-IJLUTSLNSA-N 2 1 257.378 -0.246 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196954263 824173844 /nfs/dbraw/zinc/17/38/44/824173844.db2.gz VLAFLLFCAMUOPU-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196954263 824173849 /nfs/dbraw/zinc/17/38/49/824173849.db2.gz VLAFLLFCAMUOPU-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970523 824174432 /nfs/dbraw/zinc/17/44/32/824174432.db2.gz JLARFHKPPDEISF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970523 824174434 /nfs/dbraw/zinc/17/44/34/824174434.db2.gz JLARFHKPPDEISF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197776460 824201796 /nfs/dbraw/zinc/20/17/96/824201796.db2.gz XJADOBWUHPGUSF-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001197776460 824201799 /nfs/dbraw/zinc/20/17/99/824201799.db2.gz XJADOBWUHPGUSF-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001197776460 824201805 /nfs/dbraw/zinc/20/18/05/824201805.db2.gz XJADOBWUHPGUSF-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197775893 824202149 /nfs/dbraw/zinc/20/21/49/824202149.db2.gz PLLRWOZFMDGIRP-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001197775893 824202158 /nfs/dbraw/zinc/20/21/58/824202158.db2.gz PLLRWOZFMDGIRP-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001197775893 824202165 /nfs/dbraw/zinc/20/21/65/824202165.db2.gz PLLRWOZFMDGIRP-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198097402 824218513 /nfs/dbraw/zinc/21/85/13/824218513.db2.gz ACDNCQCWLOTEJV-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001198097402 824218521 /nfs/dbraw/zinc/21/85/21/824218521.db2.gz ACDNCQCWLOTEJV-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001198097402 824218527 /nfs/dbraw/zinc/21/85/27/824218527.db2.gz ACDNCQCWLOTEJV-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198282545 824223410 /nfs/dbraw/zinc/22/34/10/824223410.db2.gz CMJMHSNZBSAAKS-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198282545 824223414 /nfs/dbraw/zinc/22/34/14/824223414.db2.gz CMJMHSNZBSAAKS-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CCCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001198282545 824223420 /nfs/dbraw/zinc/22/34/20/824223420.db2.gz CMJMHSNZBSAAKS-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001198282545 824223427 /nfs/dbraw/zinc/22/34/27/824223427.db2.gz CMJMHSNZBSAAKS-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP O=C(Cn1ccnc1)N1CCCN(CCOCCO)CC1 ZINC001198367998 824225991 /nfs/dbraw/zinc/22/59/91/824225991.db2.gz IWBOZWBDSMJSID-UHFFFAOYSA-N 2 1 296.371 -0.574 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCCN(C(=O)Cn2ccnc2)CC1 ZINC001198368036 824226741 /nfs/dbraw/zinc/22/67/41/824226741.db2.gz KHGPQYBMQFEWTO-ZDUSSCGKSA-N 2 1 296.371 -0.575 20 0 CBADMP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672992 824235075 /nfs/dbraw/zinc/23/50/75/824235075.db2.gz VWGJAERWMCZTAX-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672992 824235082 /nfs/dbraw/zinc/23/50/82/824235082.db2.gz VWGJAERWMCZTAX-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198698541 824235627 /nfs/dbraw/zinc/23/56/27/824235627.db2.gz BJMPDLGUKQZIRD-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198655023 824236286 /nfs/dbraw/zinc/23/62/86/824236286.db2.gz YKMQYQIVTPOCQV-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198655023 824236294 /nfs/dbraw/zinc/23/62/94/824236294.db2.gz YKMQYQIVTPOCQV-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198655023 824236301 /nfs/dbraw/zinc/23/63/01/824236301.db2.gz YKMQYQIVTPOCQV-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)[NH+]1CCCC1 ZINC001199129064 824248933 /nfs/dbraw/zinc/24/89/33/824248933.db2.gz WUEPHZZCFDRKDR-MGPQQGTHSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[NH+]1CCCC1 ZINC001199129064 824248938 /nfs/dbraw/zinc/24/89/38/824248938.db2.gz WUEPHZZCFDRKDR-MGPQQGTHSA-N 2 1 299.415 -0.740 20 0 CBADMP CO[C@H](C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111569 824249632 /nfs/dbraw/zinc/24/96/32/824249632.db2.gz BPMMYOLLZGENGZ-JHJVBQTASA-N 2 1 287.404 -0.477 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111569 824249614 /nfs/dbraw/zinc/24/96/14/824249614.db2.gz BPMMYOLLZGENGZ-JHJVBQTASA-N 2 1 287.404 -0.477 20 0 CBADMP CO[C@H](C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111569 824249624 /nfs/dbraw/zinc/24/96/24/824249624.db2.gz BPMMYOLLZGENGZ-JHJVBQTASA-N 2 1 287.404 -0.477 20 0 CBADMP COCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199943567 824296386 /nfs/dbraw/zinc/29/63/86/824296386.db2.gz MIQGLRPTBRZMBG-ZDUSSCGKSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943567 824296391 /nfs/dbraw/zinc/29/63/91/824296391.db2.gz MIQGLRPTBRZMBG-ZDUSSCGKSA-N 2 1 285.388 -0.456 20 0 CBADMP CO[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199942937 824296695 /nfs/dbraw/zinc/29/66/95/824296695.db2.gz BNHSTNZBFKGGON-OCCSQVGLSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199942937 824296702 /nfs/dbraw/zinc/29/67/02/824296702.db2.gz BNHSTNZBFKGGON-OCCSQVGLSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC1=CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001284977885 828637310 /nfs/dbraw/zinc/63/73/10/828637310.db2.gz NBUNHRRCYUKQNX-LBPRGKRZSA-N 2 1 296.415 -0.050 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1=CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001284977885 828637316 /nfs/dbraw/zinc/63/73/16/828637316.db2.gz NBUNHRRCYUKQNX-LBPRGKRZSA-N 2 1 296.415 -0.050 20 0 CBADMP CC[NH+](C)CCC(=O)NCC1=CC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001284977885 828637323 /nfs/dbraw/zinc/63/73/23/828637323.db2.gz NBUNHRRCYUKQNX-LBPRGKRZSA-N 2 1 296.415 -0.050 20 0 CBADMP CC[NH+](C)CCC(=O)NCC1=CC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001284977885 828637326 /nfs/dbraw/zinc/63/73/26/828637326.db2.gz NBUNHRRCYUKQNX-LBPRGKRZSA-N 2 1 296.415 -0.050 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001201862909 824337453 /nfs/dbraw/zinc/33/74/53/824337453.db2.gz ICJOHSKZKMYREQ-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202056756 824341249 /nfs/dbraw/zinc/34/12/49/824341249.db2.gz BKIBREPMOOSYOB-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP O=C1CC[C@H](C[NH+]2CCN(CC[NH+]3CCCC3)CC2)N1 ZINC001202878724 824354560 /nfs/dbraw/zinc/35/45/60/824354560.db2.gz RZCWHBIXJUAXFX-CQSZACIVSA-N 2 1 280.416 -0.022 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001203203175 824359687 /nfs/dbraw/zinc/35/96/87/824359687.db2.gz HYBHBPSGLGCAID-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203699696 824363104 /nfs/dbraw/zinc/36/31/04/824363104.db2.gz PYBSZLJFLXFZRO-JSGCOSHPSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC001203925482 824363651 /nfs/dbraw/zinc/36/36/51/824363651.db2.gz PJANWYBMBNVDDZ-LLVKDONJSA-N 2 1 284.404 -0.219 20 0 CBADMP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCC[C@H]([NH3+])CC2)O1 ZINC001205095222 824374849 /nfs/dbraw/zinc/37/48/49/824374849.db2.gz VMHCRXUEUBGVAP-QNWHQSFQSA-N 2 1 288.388 -0.327 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cnc3n2CCNC3)CC1 ZINC001205256893 824376382 /nfs/dbraw/zinc/37/63/82/824376382.db2.gz RWOMFYGFNQXGLE-CQSZACIVSA-N 2 1 279.388 -0.338 20 0 CBADMP Nc1nccnc1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205230138 824376773 /nfs/dbraw/zinc/37/67/73/824376773.db2.gz QREPUGHIGRVUNE-LBPRGKRZSA-N 2 1 251.334 -0.266 20 0 CBADMP [NH3+]C[C@@]1(O)CCCC[N@H+](CC2C(=O)N=CNC2=O)C1 ZINC001205682309 824380255 /nfs/dbraw/zinc/38/02/55/824380255.db2.gz RSQIXHJIMQFNJM-LBPRGKRZSA-N 2 1 268.317 -0.437 20 0 CBADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](CC2C(=O)N=CNC2=O)C1 ZINC001205682309 824380258 /nfs/dbraw/zinc/38/02/58/824380258.db2.gz RSQIXHJIMQFNJM-LBPRGKRZSA-N 2 1 268.317 -0.437 20 0 CBADMP [NH3+]C[C@]1(O)CCCC[N@@H+](CC[C@@H]2C[NH2+]CCO2)C1 ZINC001205665819 824380520 /nfs/dbraw/zinc/38/05/20/824380520.db2.gz VXVWEYCXTYNTLN-CHWSQXEVSA-N 3 1 257.378 -0.459 20 0 CBADMP NC[C@]1(O)CCCC[N@H+](CC[C@@H]2C[NH2+]CCO2)C1 ZINC001205665819 824380523 /nfs/dbraw/zinc/38/05/23/824380523.db2.gz VXVWEYCXTYNTLN-CHWSQXEVSA-N 2 1 257.378 -0.459 20 0 CBADMP NC[C@]1(O)CCCC[N@@H+](CC[C@@H]2C[NH2+]CCO2)C1 ZINC001205665819 824380527 /nfs/dbraw/zinc/38/05/27/824380527.db2.gz VXVWEYCXTYNTLN-CHWSQXEVSA-N 2 1 257.378 -0.459 20 0 CBADMP [NH3+]C[C@]1(O)CCCC[N@H+](CC2C(=O)N=CNC2=O)C1 ZINC001205682307 824380819 /nfs/dbraw/zinc/38/08/19/824380819.db2.gz RSQIXHJIMQFNJM-GFCCVEGCSA-N 2 1 268.317 -0.437 20 0 CBADMP [NH3+]C[C@]1(O)CCCC[N@@H+](CC2C(=O)N=CNC2=O)C1 ZINC001205682307 824380829 /nfs/dbraw/zinc/38/08/29/824380829.db2.gz RSQIXHJIMQFNJM-GFCCVEGCSA-N 2 1 268.317 -0.437 20 0 CBADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205673899 824380889 /nfs/dbraw/zinc/38/08/89/824380889.db2.gz VKQANCYDNJGQKQ-ZDUSSCGKSA-N 2 1 282.344 -0.128 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(=O)n(C)c1=O ZINC001206184114 824394607 /nfs/dbraw/zinc/39/46/07/824394607.db2.gz HPRSFUPEACKBAL-QWRGUYRKSA-N 2 1 284.335 -0.655 20 0 CBADMP [NH3+][C@H]1C[C@H](F)CN(Cc2cn3c(n2)C[NH2+]CC3)C1 ZINC001206414680 824399644 /nfs/dbraw/zinc/39/96/44/824399644.db2.gz ORIDWWDTJBXUFC-UWVGGRQHSA-N 2 1 253.325 -0.143 20 0 CBADMP CN(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206468462 824400559 /nfs/dbraw/zinc/40/05/59/824400559.db2.gz ILZWMVYEDHOOMY-NWDGAFQWSA-N 2 1 250.346 -0.101 20 0 CBADMP CN(C)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206468462 824400561 /nfs/dbraw/zinc/40/05/61/824400561.db2.gz ILZWMVYEDHOOMY-NWDGAFQWSA-N 2 1 250.346 -0.101 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]CCO)CC2)C1 ZINC001206928996 824413391 /nfs/dbraw/zinc/41/33/91/824413391.db2.gz PWDQGSIDVUJFMQ-ZDUSSCGKSA-N 2 1 269.389 -0.241 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206953522 824414222 /nfs/dbraw/zinc/41/42/22/824414222.db2.gz PEIFADWJFYBPQZ-UHFFFAOYSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208431862 824451456 /nfs/dbraw/zinc/45/14/56/824451456.db2.gz AAGCWEDPDBBBTF-IJLUTSLNSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208431862 824451460 /nfs/dbraw/zinc/45/14/60/824451460.db2.gz AAGCWEDPDBBBTF-IJLUTSLNSA-N 2 1 296.415 -0.362 20 0 CBADMP COCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208407823 824452204 /nfs/dbraw/zinc/45/22/04/824452204.db2.gz LTVZEBZFAMRACY-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208407823 824452206 /nfs/dbraw/zinc/45/22/06/824452206.db2.gz LTVZEBZFAMRACY-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001208454082 824452850 /nfs/dbraw/zinc/45/28/50/824452850.db2.gz SIHPUZSBBCVFIL-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208435115 824453498 /nfs/dbraw/zinc/45/34/98/824453498.db2.gz SUQCBDSEJZZFJY-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208435115 824453500 /nfs/dbraw/zinc/45/35/00/824453500.db2.gz SUQCBDSEJZZFJY-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208493318 824454216 /nfs/dbraw/zinc/45/42/16/824454216.db2.gz ZGVUQGWGTLZWBV-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208493318 824454219 /nfs/dbraw/zinc/45/42/19/824454219.db2.gz ZGVUQGWGTLZWBV-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+]1CCC(C[N@H+]2CCO[C@@H](C(N)=O)C2)CC1 ZINC001208597696 824456432 /nfs/dbraw/zinc/45/64/32/824456432.db2.gz KXJYVUKVVVAXHF-GFCCVEGCSA-N 2 1 255.362 -0.096 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C)[NH+](C)C ZINC001208708542 824456756 /nfs/dbraw/zinc/45/67/56/824456756.db2.gz YYQWCCGWAXACEL-UTUOFQBUSA-N 2 1 257.378 -0.245 20 0 CBADMP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506120 824472423 /nfs/dbraw/zinc/47/24/23/824472423.db2.gz FLFCEJVWRYXXJG-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506120 824472425 /nfs/dbraw/zinc/47/24/25/824472425.db2.gz FLFCEJVWRYXXJG-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001209641333 824473581 /nfs/dbraw/zinc/47/35/81/824473581.db2.gz IPWRGQLMTDITFK-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001209635697 824474189 /nfs/dbraw/zinc/47/41/89/824474189.db2.gz UTNBXUSTQSVFJF-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001209635697 824474191 /nfs/dbraw/zinc/47/41/91/824474191.db2.gz UTNBXUSTQSVFJF-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP NC(=O)c1nn(-c2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1N ZINC001210261810 824478375 /nfs/dbraw/zinc/47/83/75/824478375.db2.gz HQXXTOCCTFYETQ-UHFFFAOYSA-N 2 1 287.327 -0.642 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211089960 824483086 /nfs/dbraw/zinc/48/30/86/824483086.db2.gz DCCWKIUQZAPOHX-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCO)C2)C1 ZINC001211176135 824483735 /nfs/dbraw/zinc/48/37/35/824483735.db2.gz HJFRHSIXKMACJN-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCO)C2)C1 ZINC001211176135 824483736 /nfs/dbraw/zinc/48/37/36/824483736.db2.gz HJFRHSIXKMACJN-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC)[NH+](C)C ZINC001212463242 824507642 /nfs/dbraw/zinc/50/76/42/824507642.db2.gz YOFAGYPQTLWHNN-IJLUTSLNSA-N 2 1 273.377 -0.866 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC ZINC001213598794 824512342 /nfs/dbraw/zinc/51/23/42/824512342.db2.gz NTYALYSHPXEGBN-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213580723 824512783 /nfs/dbraw/zinc/51/27/83/824512783.db2.gz HCYFSFPDOVVXSW-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213580723 824512785 /nfs/dbraw/zinc/51/27/85/824512785.db2.gz HCYFSFPDOVVXSW-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1OC ZINC001213671311 824514272 /nfs/dbraw/zinc/51/42/72/824514272.db2.gz AXOGGRKVYFZMKB-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1OC ZINC001213671311 824514274 /nfs/dbraw/zinc/51/42/74/824514274.db2.gz AXOGGRKVYFZMKB-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1OC ZINC001213671311 824514276 /nfs/dbraw/zinc/51/42/76/824514276.db2.gz AXOGGRKVYFZMKB-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916909 824517260 /nfs/dbraw/zinc/51/72/60/824517260.db2.gz QNAFCYPSSVPOLQ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930161 824518244 /nfs/dbraw/zinc/51/82/44/824518244.db2.gz YSQDBGVCAHQDHB-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213930161 824518245 /nfs/dbraw/zinc/51/82/45/824518245.db2.gz YSQDBGVCAHQDHB-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213930161 824518248 /nfs/dbraw/zinc/51/82/48/824518248.db2.gz YSQDBGVCAHQDHB-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP NC(=[NH2+])NCCC[C@H]([NH3+])c1nnc([C@H]2CCOC2)o1 ZINC001217724511 824558495 /nfs/dbraw/zinc/55/84/95/824558495.db2.gz LBHZTXDUSUGBGF-YUMQZZPRSA-N 2 1 268.321 -0.163 20 0 CBADMP NC(=[NH2+])NCCC[C@H]([NH3+])c1nnc([C@@H]2CCOC2)o1 ZINC001217724502 824559226 /nfs/dbraw/zinc/55/92/26/824559226.db2.gz LBHZTXDUSUGBGF-SFYZADRCSA-N 2 1 268.321 -0.163 20 0 CBADMP C[C@@H]1C[NH+](CCc2nnc([C@H](O)C[NH3+])o2)C[C@@H](C)O1 ZINC001217740390 824560897 /nfs/dbraw/zinc/56/08/97/824560897.db2.gz OAYYNHMTLUOEHD-OPRDCNLKSA-N 2 1 270.333 -0.287 20 0 CBADMP C[C@H]1C[NH+](CCc2nnc([C@H]3C[NH2+]C[C@@H]3N)o2)C[C@H](C)O1 ZINC001217744652 824561054 /nfs/dbraw/zinc/56/10/54/824561054.db2.gz NWRANYPKCNNQIN-BJDJZHNGSA-N 2 1 295.387 -0.265 20 0 CBADMP C(O[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217797445 824562386 /nfs/dbraw/zinc/56/23/86/824562386.db2.gz AGDMENBZIJFBER-FQKPHLNHSA-N 2 1 281.400 -0.184 20 0 CBADMP C(O[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217797445 824562391 /nfs/dbraw/zinc/56/23/91/824562391.db2.gz AGDMENBZIJFBER-FQKPHLNHSA-N 2 1 281.400 -0.184 20 0 CBADMP CCOC(=O)c1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n[nH]1 ZINC001218510729 824576690 /nfs/dbraw/zinc/57/66/90/824576690.db2.gz NGMKRYHOXPOAKJ-QMMMGPOBSA-N 2 1 293.327 -0.666 20 0 CBADMP Cc1[nH][nH]c2ncnc(=NC(=O)[C@H]([NH3+])CCC[NH3+])c1-2 ZINC001218530305 824586003 /nfs/dbraw/zinc/58/60/03/824586003.db2.gz RIQHLPLQFSSBRA-SSDOTTSWSA-N 2 1 263.305 -0.960 20 0 CBADMP NC(=O)c1[nH]ncc1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218565663 824595270 /nfs/dbraw/zinc/59/52/70/824595270.db2.gz YAFSIDHSWXLLKJ-QMMMGPOBSA-N 2 1 292.343 -0.679 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)Nc2cc(OCC3CC3)n[nH]2)C1 ZINC001218578724 824598047 /nfs/dbraw/zinc/59/80/47/824598047.db2.gz MQLGFXSRYRUQPT-BDAKNGLRSA-N 2 1 265.317 -0.174 20 0 CBADMP Cc1nc2nc[nH]c2c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218700376 824623418 /nfs/dbraw/zinc/62/34/18/824623418.db2.gz XQPUTLMISZGILU-MRVPVSSYSA-N 2 1 287.327 -0.591 20 0 CBADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)[C@H]1C[NH2+]C[C@H]1O ZINC001218742231 824631399 /nfs/dbraw/zinc/63/13/99/824631399.db2.gz BESSTLAJTHZNSX-WDEREUQCSA-N 2 1 273.296 -0.214 20 0 CBADMP N[C@@H](CC[NH3+])C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001218741687 824631900 /nfs/dbraw/zinc/63/19/00/824631900.db2.gz PSDJMAAVHJHDSK-JTQLQIEISA-N 2 1 260.301 -0.118 20 0 CBADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)[C@H]1C[NH2+]C[C@@H]1O ZINC001218742229 824631998 /nfs/dbraw/zinc/63/19/98/824631998.db2.gz BESSTLAJTHZNSX-QWRGUYRKSA-N 2 1 273.296 -0.214 20 0 CBADMP CN(C)c1cc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)n[nH]1 ZINC001218743623 824632115 /nfs/dbraw/zinc/63/21/15/824632115.db2.gz VJTRHGGVBJHIQV-NOZJJQNGSA-N 2 1 278.360 -0.387 20 0 CBADMP [NH3+]CCNCC(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001218743349 824632177 /nfs/dbraw/zinc/63/21/77/824632177.db2.gz RKGQBYWTSPXUAR-UHFFFAOYSA-N 2 1 260.301 -0.246 20 0 CBADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001218819883 824642101 /nfs/dbraw/zinc/64/21/01/824642101.db2.gz QIBVKMABFPTGIK-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001218819883 824642103 /nfs/dbraw/zinc/64/21/03/824642103.db2.gz QIBVKMABFPTGIK-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCOC)C[C@@H]21 ZINC001218904938 824645829 /nfs/dbraw/zinc/64/58/29/824645829.db2.gz NHOXESYYHBWZNI-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCOC)C[C@@H]21 ZINC001218904938 824645832 /nfs/dbraw/zinc/64/58/32/824645832.db2.gz NHOXESYYHBWZNI-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCOC)C[C@@H]21 ZINC001218904938 824645837 /nfs/dbraw/zinc/64/58/37/824645837.db2.gz NHOXESYYHBWZNI-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2CN(C[C@H](C)O)C[C@@H]21 ZINC001219055059 824654341 /nfs/dbraw/zinc/65/43/41/824654341.db2.gz ULNKOGPEWXSTKR-MELADBBJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]21 ZINC001219055059 824654343 /nfs/dbraw/zinc/65/43/43/824654343.db2.gz ULNKOGPEWXSTKR-MELADBBJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@H](C)O)C[C@@H]21 ZINC001219055059 824654345 /nfs/dbraw/zinc/65/43/45/824654345.db2.gz ULNKOGPEWXSTKR-MELADBBJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@H](C)O)C[C@@H]21 ZINC001219055059 824654346 /nfs/dbraw/zinc/65/43/46/824654346.db2.gz ULNKOGPEWXSTKR-MELADBBJSA-N 2 1 299.415 -0.381 20 0 CBADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357973 824697447 /nfs/dbraw/zinc/69/74/47/824697447.db2.gz RXDGFWIRLCOLJF-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357973 824697450 /nfs/dbraw/zinc/69/74/50/824697450.db2.gz RXDGFWIRLCOLJF-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357973 824697453 /nfs/dbraw/zinc/69/74/53/824697453.db2.gz RXDGFWIRLCOLJF-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357973 824697458 /nfs/dbraw/zinc/69/74/58/824697458.db2.gz RXDGFWIRLCOLJF-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)C[NH2+]C2CC[NH2+]CC2)C[NH2+]1 ZINC001219582354 824736035 /nfs/dbraw/zinc/73/60/35/824736035.db2.gz CAUBXHSKPCSXRY-JQWIXIFHSA-N 3 1 254.378 -0.415 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219582347 824736834 /nfs/dbraw/zinc/73/68/34/824736834.db2.gz BWSWZISXEBINGD-GUBZILKMSA-N 2 1 257.334 -0.476 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)c2cc3n(n2)CC[NH2+]C3)C[NH2+]1 ZINC001219592281 824738073 /nfs/dbraw/zinc/73/80/73/824738073.db2.gz VKQKYEVMHLSVHF-UWVGGRQHSA-N 2 1 263.345 -0.143 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@@H](O)c1ccco1 ZINC001219604221 824851106 /nfs/dbraw/zinc/85/11/06/824851106.db2.gz KYZVFHLWJORJMR-LLVKDONJSA-N 2 1 267.329 -0.229 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219609898 824855067 /nfs/dbraw/zinc/85/50/67/824855067.db2.gz HPJIIGJDBBLMEV-XVKPBYJWSA-N 2 1 297.277 -0.323 20 0 CBADMP CC(C)[N@@H+]1CC[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622149 824861613 /nfs/dbraw/zinc/86/16/13/824861613.db2.gz OJWVXAIRPCBJLU-GMXVVIOVSA-N 2 1 273.352 -0.352 20 0 CBADMP CC(C)[N@H+]1CC[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622149 824861619 /nfs/dbraw/zinc/86/16/19/824861619.db2.gz OJWVXAIRPCBJLU-GMXVVIOVSA-N 2 1 273.352 -0.352 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219636033 824868756 /nfs/dbraw/zinc/86/87/56/824868756.db2.gz UWCRKMRSHDMKKX-OYNCUSHFSA-N 2 1 255.297 -0.904 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C1 ZINC001219641155 824870123 /nfs/dbraw/zinc/87/01/23/824870123.db2.gz GBIQAMQGLKRTSA-KSFQGOMNSA-N 2 1 266.389 -0.430 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001219644704 824871776 /nfs/dbraw/zinc/87/17/76/824871776.db2.gz FBMXAOADRBICSX-SRVKXCTJSA-N 2 1 255.362 -0.321 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001219644704 824871780 /nfs/dbraw/zinc/87/17/80/824871780.db2.gz FBMXAOADRBICSX-SRVKXCTJSA-N 2 1 255.362 -0.321 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)C[N@@H+]2CC[C@H](O)C2)C1 ZINC001219649387 824872907 /nfs/dbraw/zinc/87/29/07/824872907.db2.gz ILDMJALLMIHZLD-TUAOUCFPSA-N 2 1 255.362 -0.585 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)C[N@H+]2CC[C@H](O)C2)C1 ZINC001219649387 824872912 /nfs/dbraw/zinc/87/29/12/824872912.db2.gz ILDMJALLMIHZLD-TUAOUCFPSA-N 2 1 255.362 -0.585 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001219648997 824873784 /nfs/dbraw/zinc/87/37/84/824873784.db2.gz CZQMDVGJSZIKCA-OUCADQQQSA-N 2 1 297.447 -0.901 20 0 CBADMP COC(=O)c1csc(CNC(=O)[C@@H]([NH3+])CC[NH3+])n1 ZINC001219666714 824876110 /nfs/dbraw/zinc/87/61/10/824876110.db2.gz MRPANSWQBDRVBK-LURJTMIESA-N 2 1 272.330 -0.778 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2c3c(nn2C)C[NH2+]C3)C1 ZINC001219667032 824876155 /nfs/dbraw/zinc/87/61/55/824876155.db2.gz SMMULCACKMHETG-UWVGGRQHSA-N 2 1 277.372 -0.001 20 0 CBADMP C[C@@H]1C[C@@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C[NH2+]1 ZINC001219683939 824878521 /nfs/dbraw/zinc/87/85/21/824878521.db2.gz HMQXWEBVTXKXCV-CJJWORHMSA-N 2 1 252.362 -0.678 20 0 CBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1O ZINC001219724394 824886482 /nfs/dbraw/zinc/88/64/82/824886482.db2.gz JPKAQWXXYAMAFE-UTUOFQBUSA-N 2 1 275.368 -0.153 20 0 CBADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)C1CC[NH2+]CC1 ZINC001219765054 824891764 /nfs/dbraw/zinc/89/17/64/824891764.db2.gz TTWOIRYEBVHJKF-YPMHNXCESA-N 2 1 266.389 -0.604 20 0 CBADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)C1CC[NH2+]CC1 ZINC001219765054 824891765 /nfs/dbraw/zinc/89/17/65/824891765.db2.gz TTWOIRYEBVHJKF-YPMHNXCESA-N 2 1 266.389 -0.604 20 0 CBADMP C[C@@]1(C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)CC[NH2+]C1 ZINC001219766306 824892148 /nfs/dbraw/zinc/89/21/48/824892148.db2.gz PHMVCEXBFXJROI-MBNYWOFBSA-N 2 1 266.389 -0.604 20 0 CBADMP C[C@@]1(C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)CC[NH2+]C1 ZINC001219766306 824892155 /nfs/dbraw/zinc/89/21/55/824892155.db2.gz PHMVCEXBFXJROI-MBNYWOFBSA-N 2 1 266.389 -0.604 20 0 CBADMP NC(=[NH2+])NCCCCC(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766331 824892486 /nfs/dbraw/zinc/89/24/86/824892486.db2.gz PUEBVIARFVJRTH-NEPJUHHUSA-N 2 1 296.419 -0.950 20 0 CBADMP NC(=[NH2+])NCCCCC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766331 824892489 /nfs/dbraw/zinc/89/24/89/824892489.db2.gz PUEBVIARFVJRTH-NEPJUHHUSA-N 2 1 296.419 -0.950 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777268 824893771 /nfs/dbraw/zinc/89/37/71/824893771.db2.gz FKRMFEBJDIGDDI-ZDUSSCGKSA-N 2 1 280.416 -0.119 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802538 824895102 /nfs/dbraw/zinc/89/51/02/824895102.db2.gz SQPBDPNFNOXWMB-MNOVXSKESA-N 2 1 255.362 -0.348 20 0 CBADMP [NH3+][C@H]1CC[C@@H]1C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806348 824895212 /nfs/dbraw/zinc/89/52/12/824895212.db2.gz SOEOHUOISAAPNG-QWRGUYRKSA-N 2 1 291.355 -0.910 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001219830288 824899925 /nfs/dbraw/zinc/89/99/25/824899925.db2.gz UMUOEISIBCONQK-MJBXVCDLSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001219830288 824899930 /nfs/dbraw/zinc/89/99/30/824899930.db2.gz UMUOEISIBCONQK-MJBXVCDLSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219830288 824899935 /nfs/dbraw/zinc/89/99/35/824899935.db2.gz UMUOEISIBCONQK-MJBXVCDLSA-N 2 1 299.415 -0.596 20 0 CBADMP NC[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001219856762 824903020 /nfs/dbraw/zinc/90/30/20/824903020.db2.gz ZWXACVCKDHBJCF-ZOBORPQBSA-N 2 1 290.367 -0.638 20 0 CBADMP C[C@H]([NH3+])c1ncc(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)s1 ZINC001219856353 824903415 /nfs/dbraw/zinc/90/34/15/824903415.db2.gz JKRHYLNELDBZPD-UYXSQOIJSA-N 2 1 282.369 -0.121 20 0 CBADMP [NH3+]CCNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC001219867931 824905815 /nfs/dbraw/zinc/90/58/15/824905815.db2.gz VRBDEPBADUVTCG-AWEZNQCLSA-N 2 1 276.384 -0.075 20 0 CBADMP [NH3+]CCNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1 ZINC001219867931 824905818 /nfs/dbraw/zinc/90/58/18/824905818.db2.gz VRBDEPBADUVTCG-AWEZNQCLSA-N 2 1 276.384 -0.075 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)[NH+](C)C ZINC001219874708 824906005 /nfs/dbraw/zinc/90/60/05/824906005.db2.gz DJRAFIHBRAWUSO-UTUOFQBUSA-N 2 1 275.368 -0.153 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H](O)COc1ccccc1 ZINC001219917974 824915541 /nfs/dbraw/zinc/91/55/41/824915541.db2.gz AIPWYOCWQKXKBP-PWSUYJOCSA-N 2 1 267.329 -0.781 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001219934783 824916559 /nfs/dbraw/zinc/91/65/59/824916559.db2.gz NDEZWHVKVQNSJH-XTZNXHDOSA-N 2 1 272.374 -0.596 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219934973 824916733 /nfs/dbraw/zinc/91/67/33/824916733.db2.gz WDEGQGXJBJQHRQ-YPMHNXCESA-N 2 1 263.345 -0.741 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001219980498 824928745 /nfs/dbraw/zinc/92/87/45/824928745.db2.gz JIFRXSCYTJWWFM-RYUDHWBXSA-N 2 1 288.461 -0.146 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC001219980767 824928920 /nfs/dbraw/zinc/92/89/20/824928920.db2.gz OVOCMELPIWSJGO-WOPDTQHZSA-N 2 1 255.362 -0.443 20 0 CBADMP N=c1cc(C[NH3+])ncn1C(=O)c1cnc(C[NH3+])s1 ZINC001220020584 824936859 /nfs/dbraw/zinc/93/68/59/824936859.db2.gz ODAHZYFRCLPEMN-UHFFFAOYSA-N 2 1 264.314 -0.575 20 0 CBADMP N=c1sc2c(n1C(=O)[C@@H]1COC[NH2+]1)CC[C@H]([NH3+])C2 ZINC001220022208 824937080 /nfs/dbraw/zinc/93/70/80/824937080.db2.gz BVZVNVQIUBOVAJ-BQBZGAKWSA-N 2 1 268.342 -0.569 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220069519 824949153 /nfs/dbraw/zinc/94/91/53/824949153.db2.gz BUAXRLLOXMKDGW-SNVBAGLBSA-N 3 1 251.334 -0.345 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220071734 824949777 /nfs/dbraw/zinc/94/97/77/824949777.db2.gz OWDJAHIPKPWINV-NXEZZACHSA-N 2 1 250.302 -0.689 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220071824 824951492 /nfs/dbraw/zinc/95/14/92/824951492.db2.gz TVZRWYJMMKZCIQ-BXUZGUMPSA-N 2 1 275.356 -0.460 20 0 CBADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220103073 824955130 /nfs/dbraw/zinc/95/51/30/824955130.db2.gz FODWICYBBAYCHX-LLVKDONJSA-N 3 1 296.419 -0.678 20 0 CBADMP N=C(NC(=O)[C@H]([NH3+])Cc1c[nH]cn1)SCC[NH3+] ZINC001220106215 824956145 /nfs/dbraw/zinc/95/61/45/824956145.db2.gz FSAGPYJPYXWHKQ-SSDOTTSWSA-N 2 1 256.335 -0.978 20 0 CBADMP NC(=[NH2+])N(C(=O)[C@H]1[NH2+]CC[C@@H]1O)c1ccccc1F ZINC001220106235 824957167 /nfs/dbraw/zinc/95/71/67/824957167.db2.gz GIDCQDULZCYDAX-UWVGGRQHSA-N 2 1 266.276 -0.225 20 0 CBADMP N=C(N)N(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1F ZINC001220106630 824957294 /nfs/dbraw/zinc/95/72/94/824957294.db2.gz VRPAMFMTVMLUFT-VIFPVBQESA-N 2 1 291.330 -0.139 20 0 CBADMP CO[C@@H]1COCC[C@H]1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220141661 824967220 /nfs/dbraw/zinc/96/72/20/824967220.db2.gz QHNMXBKGMPRRCS-VXGBXAGGSA-N 2 1 271.361 -0.752 20 0 CBADMP O=C(N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1COC[NH2+]1 ZINC001220159373 824972037 /nfs/dbraw/zinc/97/20/37/824972037.db2.gz OCLQLBFOPBQWGA-GVXVVHGQSA-N 2 1 253.346 -0.029 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001220156943 824972459 /nfs/dbraw/zinc/97/24/59/824972459.db2.gz RAWGMMGWUZKZNE-FIQHERPVSA-N 2 1 252.362 -0.853 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001220158665 824973299 /nfs/dbraw/zinc/97/32/99/824973299.db2.gz CYTAEOIZECASBE-BXUZGUMPSA-N 3 1 266.389 -0.606 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163032 824975009 /nfs/dbraw/zinc/97/50/09/824975009.db2.gz OEUKAQCJROGMAW-GMXVVIOVSA-N 3 1 254.378 -0.299 20 0 CBADMP [NH3+]CCCNCC(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161704 824975208 /nfs/dbraw/zinc/97/52/08/824975208.db2.gz FFJSLRHENJUSDE-GXTWGEPZSA-N 2 1 268.405 -0.037 20 0 CBADMP O=C(NCC1([NH+]2CCCC2)COC1)C1CC[NH2+]CC1 ZINC001220197686 824985068 /nfs/dbraw/zinc/98/50/68/824985068.db2.gz OAWJCDACEAQXAC-UHFFFAOYSA-N 2 1 267.373 -0.033 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229279 824991069 /nfs/dbraw/zinc/99/10/69/824991069.db2.gz VSMPJUUBGBNHOM-NEPJUHHUSA-N 2 1 269.389 -0.102 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220252007 824996129 /nfs/dbraw/zinc/99/61/29/824996129.db2.gz LLCCBTGACVVGKV-WCQYABFASA-N 2 1 254.378 -0.332 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220252267 824996149 /nfs/dbraw/zinc/99/61/49/824996149.db2.gz UDWCYASKTATQHN-OUCADQQQSA-N 2 1 266.389 -0.462 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC001220306450 825009113 /nfs/dbraw/zinc/00/91/13/825009113.db2.gz KPJNNQHDMQHKQZ-CYBMUJFWSA-N 2 1 284.404 -0.881 20 0 CBADMP O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1COCC[NH2+]1 ZINC001220319683 825013913 /nfs/dbraw/zinc/01/39/13/825013913.db2.gz IIKSXKSAVCNYMX-MDZLAQPJSA-N 2 1 269.345 -0.998 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316890 825014243 /nfs/dbraw/zinc/01/42/43/825014243.db2.gz UMJBYDSKNMAEMN-DYEKYZERSA-N 2 1 293.371 -0.693 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@H](CO)Cc1ccccc1 ZINC001220406568 825033190 /nfs/dbraw/zinc/03/31/90/825033190.db2.gz SVQPVVZGELCVBS-OLZOCXBDSA-N 2 1 265.357 -0.370 20 0 CBADMP COC(=O)[C@H]1CC[C@H](NC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001220406490 825033456 /nfs/dbraw/zinc/03/34/56/825033456.db2.gz RJEVUUMNGHDVQL-JQWIXIFHSA-N 2 1 283.372 -0.214 20 0 CBADMP O=C(NCc1ccc2[nH]nnc2c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220426592 825036873 /nfs/dbraw/zinc/03/68/73/825036873.db2.gz KFTIWLDHFZDMOH-SNVBAGLBSA-N 2 1 286.339 -0.617 20 0 CBADMP [NH3+][C@H](C(=O)NC1CC[NH+](CCF)CC1)C1CC[NH2+]CC1 ZINC001220436272 825038586 /nfs/dbraw/zinc/03/85/86/825038586.db2.gz SWBXOJFNSPYQQD-ZDUSSCGKSA-N 3 1 286.395 -0.137 20 0 CBADMP [NH3+]Cc1ncc(C(=O)NC[C@H]2COCC[NH2+]2)s1 ZINC001220432041 825038872 /nfs/dbraw/zinc/03/88/72/825038872.db2.gz WLHXFTZBWBLNSD-ZETCQYMHSA-N 2 1 256.331 -0.680 20 0 CBADMP [NH3+]CCSC[C@H]([NH3+])C(=O)NC1CC[NH+](CCF)CC1 ZINC001220436458 825039424 /nfs/dbraw/zinc/03/94/24/825039424.db2.gz WJSKBCZWDRYEJC-NSHDSACASA-N 3 1 292.424 -0.444 20 0 CBADMP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220570964 825064431 /nfs/dbraw/zinc/06/44/31/825064431.db2.gz FHFVJIBYCIXVFH-LBPRGKRZSA-N 3 1 284.404 -0.719 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571472 825065284 /nfs/dbraw/zinc/06/52/84/825065284.db2.gz RYKDTZZOFYWJPQ-NWDGAFQWSA-N 2 1 267.373 -0.177 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220578879 825069166 /nfs/dbraw/zinc/06/91/66/825069166.db2.gz VLOGTDRBVCAPHE-OLZOCXBDSA-N 2 1 269.389 -0.101 20 0 CBADMP COC(=O)[C@](C)(Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220628042 825078614 /nfs/dbraw/zinc/07/86/14/825078614.db2.gz PYSGKROHKCKLEL-WFASDCNBSA-N 2 1 293.367 -0.047 20 0 CBADMP CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220660910 825082104 /nfs/dbraw/zinc/08/21/04/825082104.db2.gz OHCRGESXVLAIAK-UTLUCORTSA-N 2 1 257.334 -0.490 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1ccc(-n2cccn2)nc1 ZINC001220673756 825083757 /nfs/dbraw/zinc/08/37/57/825083757.db2.gz LBKPFJAEETYNDY-NSHDSACASA-N 2 1 274.328 -0.440 20 0 CBADMP Nc1ncc(CCNC(=O)C[NH2+]C2CC[NH2+]CC2)s1 ZINC001220704573 825090084 /nfs/dbraw/zinc/09/00/84/825090084.db2.gz RCNWJEGFCNLAOY-UHFFFAOYSA-N 2 1 283.401 -0.274 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])CN1)C2 ZINC001220716768 825092998 /nfs/dbraw/zinc/09/29/98/825092998.db2.gz RAQKXRKZTSTDCZ-KVSVUVNWSA-N 2 1 266.389 -0.193 20 0 CBADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1)C2 ZINC001220716768 825093000 /nfs/dbraw/zinc/09/30/00/825093000.db2.gz RAQKXRKZTSTDCZ-KVSVUVNWSA-N 2 1 266.389 -0.193 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1)C2 ZINC001220716768 825093003 /nfs/dbraw/zinc/09/30/03/825093003.db2.gz RAQKXRKZTSTDCZ-KVSVUVNWSA-N 2 1 266.389 -0.193 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H](N)CC[NH3+])C2 ZINC001220716544 825093056 /nfs/dbraw/zinc/09/30/56/825093056.db2.gz KMDDGQCPFIHFQM-YFKTTZPYSA-N 2 1 254.378 -0.206 20 0 CBADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001220716544 825093061 /nfs/dbraw/zinc/09/30/61/825093061.db2.gz KMDDGQCPFIHFQM-YFKTTZPYSA-N 3 1 254.378 -0.206 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001220716544 825093067 /nfs/dbraw/zinc/09/30/67/825093067.db2.gz KMDDGQCPFIHFQM-YFKTTZPYSA-N 3 1 254.378 -0.206 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@H]1CCC(=O)N[C@H]1c1ccccc1 ZINC001220727500 825093586 /nfs/dbraw/zinc/09/35/86/825093586.db2.gz IAQCTXIFMZKMJD-OBJOEFQTSA-N 2 1 290.367 -0.201 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001220716922 825093991 /nfs/dbraw/zinc/09/39/91/825093991.db2.gz UZWPJAVVAYAISH-YIYPIFLZSA-N 3 1 292.427 -0.073 20 0 CBADMP CC1(C)[C@@H](O)C[C@@H]1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220765676 825099161 /nfs/dbraw/zinc/09/91/61/825099161.db2.gz CKRXUPQPBLODCV-QWRGUYRKSA-N 2 1 255.362 -0.396 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2CC[NH2+][C@@H]2c2cccnc2)C1 ZINC001220788595 825102791 /nfs/dbraw/zinc/10/27/91/825102791.db2.gz FHEMOSDFFAZQHA-ZOBORPQBSA-N 2 1 289.383 -0.462 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@@H]1COCC[NH2+]1 ZINC001220804141 825104148 /nfs/dbraw/zinc/10/41/48/825104148.db2.gz NCAVKSBTVLQRKA-VGMNWLOBSA-N 2 1 281.278 -0.369 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803083 825104670 /nfs/dbraw/zinc/10/46/70/825104670.db2.gz BOWFITPYZQREDD-BIIVOSGPSA-N 3 1 268.283 -0.681 20 0 CBADMP COc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH3+])c(OC)n1 ZINC001220823440 825106872 /nfs/dbraw/zinc/10/68/72/825106872.db2.gz JMZVEVWBCPQHHZ-VIFPVBQESA-N 2 1 268.317 -0.609 20 0 CBADMP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220859992 825113866 /nfs/dbraw/zinc/11/38/66/825113866.db2.gz WOUFRHBHPFBKKH-NEPJUHHUSA-N 2 1 285.436 -0.774 20 0 CBADMP C[N@H+]1C[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220884373 825120067 /nfs/dbraw/zinc/12/00/67/825120067.db2.gz APJNGKCXBMGUMX-STQMWFEESA-N 3 1 296.415 -0.693 20 0 CBADMP CN1C[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220884373 825120070 /nfs/dbraw/zinc/12/00/70/825120070.db2.gz APJNGKCXBMGUMX-STQMWFEESA-N 2 1 296.415 -0.693 20 0 CBADMP O=C(N[C@H]1CC[N@H+](Cc2cccnc2)C1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220915063 825123900 /nfs/dbraw/zinc/12/39/00/825123900.db2.gz LIDHLYJATJDDCK-IHRRRGAJSA-N 2 1 290.367 -0.505 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](Cc2cccnc2)C1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220915063 825123903 /nfs/dbraw/zinc/12/39/03/825123903.db2.gz LIDHLYJATJDDCK-IHRRRGAJSA-N 2 1 290.367 -0.505 20 0 CBADMP C[C@@H]([NH3+])c1ncc(C(=O)n2cc(C[NH3+])cnc2=N)s1 ZINC001220951221 825129214 /nfs/dbraw/zinc/12/92/14/825129214.db2.gz UGGFXFTXNOSWDY-ZCFIWIBFSA-N 2 1 278.341 -0.014 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1cnn(CC(F)(F)F)c1 ZINC001220972366 825129857 /nfs/dbraw/zinc/12/98/57/825129857.db2.gz DKKWEZPYESDFQE-QMMMGPOBSA-N 2 1 279.266 -0.262 20 0 CBADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976023 825130622 /nfs/dbraw/zinc/13/06/22/825130622.db2.gz GGJHHGWKHGZFAO-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976023 825130625 /nfs/dbraw/zinc/13/06/25/825130625.db2.gz GGJHHGWKHGZFAO-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976023 825130628 /nfs/dbraw/zinc/13/06/28/825130628.db2.gz GGJHHGWKHGZFAO-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP N[C@@]1(C(=O)NCc2[nH+]cn3ccccc23)CC[NH2+]C1 ZINC001221008078 825135711 /nfs/dbraw/zinc/13/57/11/825135711.db2.gz IUNMFDIONMAAKR-ZDUSSCGKSA-N 2 1 259.313 -0.359 20 0 CBADMP COc1cc(C)[nH]c(=O)c1CNC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001221015217 825137268 /nfs/dbraw/zinc/13/72/68/825137268.db2.gz AHQXYOCVOQLSEW-VIFPVBQESA-N 2 1 268.317 -0.603 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N(CC[NH3+])c2ccc(F)cc2)C1 ZINC001221060442 825139843 /nfs/dbraw/zinc/13/98/43/825139843.db2.gz ACKYOBKBBYWQSW-PWSUYJOCSA-N 2 1 266.320 -0.193 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221061955 825140252 /nfs/dbraw/zinc/14/02/52/825140252.db2.gz HVXMZXNJJOPXQJ-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221081918 825142197 /nfs/dbraw/zinc/14/21/97/825142197.db2.gz YTTLANMQDPLSKK-OLZOCXBDSA-N 2 1 285.388 -0.984 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089681 825143857 /nfs/dbraw/zinc/14/38/57/825143857.db2.gz MHQFAAJOONOGMV-NEPJUHHUSA-N 2 1 273.377 -0.866 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089681 825143863 /nfs/dbraw/zinc/14/38/63/825143863.db2.gz MHQFAAJOONOGMV-NEPJUHHUSA-N 2 1 273.377 -0.866 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089681 825143866 /nfs/dbraw/zinc/14/38/66/825143866.db2.gz MHQFAAJOONOGMV-NEPJUHHUSA-N 2 1 273.377 -0.866 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1cn(CC(F)(F)F)cn1 ZINC001221146343 825146985 /nfs/dbraw/zinc/14/69/85/825146985.db2.gz FOOONMGJNQIHFX-QMMMGPOBSA-N 2 1 279.266 -0.262 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221244017 825160651 /nfs/dbraw/zinc/16/06/51/825160651.db2.gz OTYICEIHWCEICA-OCCSQVGLSA-N 3 1 268.405 -0.086 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001221254667 825162089 /nfs/dbraw/zinc/16/20/89/825162089.db2.gz RYYPHLHJDMAVQF-GMXVVIOVSA-N 2 1 252.362 -0.994 20 0 CBADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(N)CC[NH2+]C1 ZINC001221358830 825176417 /nfs/dbraw/zinc/17/64/17/825176417.db2.gz ROIRYVHKALAILO-WFASDCNBSA-N 2 1 298.431 -0.460 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1ccc2oc(=O)[nH]c2c1 ZINC001221385436 825180091 /nfs/dbraw/zinc/18/00/91/825180091.db2.gz PJAGRJDSSJDOCX-QMMMGPOBSA-N 2 1 264.285 -0.174 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](N)Cc1cnc[nH]1 ZINC001221388786 825180152 /nfs/dbraw/zinc/18/01/52/825180152.db2.gz FTXFKDSRPCNSAO-LLVKDONJSA-N 2 1 295.391 -0.657 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCN2)[C@@H](C)C1 ZINC001221406253 825184335 /nfs/dbraw/zinc/18/43/35/825184335.db2.gz DXNUNHIQGIFHGE-XQQFMLRXSA-N 2 1 268.405 -0.217 20 0 CBADMP [NH3+]CCCNCC(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221407799 825184522 /nfs/dbraw/zinc/18/45/22/825184522.db2.gz FABBMRYZQWQLDI-CYBMUJFWSA-N 2 1 254.378 -0.571 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCN2)[C@H](C)C1 ZINC001221406248 825184674 /nfs/dbraw/zinc/18/46/74/825184674.db2.gz DXNUNHIQGIFHGE-AGIUHOORSA-N 2 1 268.405 -0.217 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221411871 825187050 /nfs/dbraw/zinc/18/70/50/825187050.db2.gz YHLRHSLWWABMMY-QWHCGFSZSA-N 2 1 277.372 -0.216 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21 ZINC001221973663 825197450 /nfs/dbraw/zinc/19/74/50/825197450.db2.gz IKJOHKXNMREXCP-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001221973663 825197457 /nfs/dbraw/zinc/19/74/57/825197457.db2.gz IKJOHKXNMREXCP-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221973663 825197462 /nfs/dbraw/zinc/19/74/62/825197462.db2.gz IKJOHKXNMREXCP-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950686 825197898 /nfs/dbraw/zinc/19/78/98/825197898.db2.gz SXXRPHYGMAOGFP-BFHYXJOUSA-N 2 1 299.415 -0.522 20 0 CBADMP C([C@H]1COCC[NH2+]1)N1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001222667625 825220761 /nfs/dbraw/zinc/22/07/61/825220761.db2.gz GARIRCPMNVADNS-UONOGXRCSA-N 2 1 268.405 -0.608 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(N)=O)[C@H]2C1 ZINC001223977478 825234591 /nfs/dbraw/zinc/23/45/91/825234591.db2.gz DDLYMMIYZBFPRM-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(N)=O)[C@H]2C1 ZINC001223977478 825234597 /nfs/dbraw/zinc/23/45/97/825234597.db2.gz DDLYMMIYZBFPRM-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001223977478 825234605 /nfs/dbraw/zinc/23/46/05/825234605.db2.gz DDLYMMIYZBFPRM-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001223977478 825234611 /nfs/dbraw/zinc/23/46/11/825234611.db2.gz DDLYMMIYZBFPRM-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001224537106 825241520 /nfs/dbraw/zinc/24/15/20/825241520.db2.gz PYKHNRFABZGOGC-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP CO[C@@H]1CC[N@@H+](CCOCCN2CC[NH+](C)CC2)C1 ZINC001224548797 825242423 /nfs/dbraw/zinc/24/24/23/825242423.db2.gz FTWYKGSFCAJPJM-CQSZACIVSA-N 2 1 271.405 -0.029 20 0 CBADMP CO[C@@H]1CC[N@H+](CCOCC[NH+]2CCN(C)CC2)C1 ZINC001224548797 825242440 /nfs/dbraw/zinc/24/24/40/825242440.db2.gz FTWYKGSFCAJPJM-CQSZACIVSA-N 2 1 271.405 -0.029 20 0 CBADMP CO[C@@H]1CC[N@@H+](CCOCC[NH+]2CCN(C)CC2)C1 ZINC001224548797 825242445 /nfs/dbraw/zinc/24/24/45/825242445.db2.gz FTWYKGSFCAJPJM-CQSZACIVSA-N 2 1 271.405 -0.029 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001225168152 825254685 /nfs/dbraw/zinc/25/46/85/825254685.db2.gz OGNWRLPFXDYKIC-CYBMUJFWSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)C1CC1 ZINC001227818089 825307856 /nfs/dbraw/zinc/30/78/56/825307856.db2.gz QKFGFJKZWITRFH-CYBMUJFWSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227797308 825308187 /nfs/dbraw/zinc/30/81/87/825308187.db2.gz HAJLVZOTSOZYJY-GWCFXTLKSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227797313 825308832 /nfs/dbraw/zinc/30/88/32/825308832.db2.gz HAJLVZOTSOZYJY-MFKMUULPSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[C@H](C(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1)[NH+](C)C ZINC001227961027 825309732 /nfs/dbraw/zinc/30/97/32/825309732.db2.gz OFEGWRLVLDQSAB-ZYHUDNBSSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@@H](C(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC001229254057 825330139 /nfs/dbraw/zinc/33/01/39/825330139.db2.gz OFEGWRLVLDQSAB-JQWIXIFHSA-N 2 1 284.404 -0.219 20 0 CBADMP CCNC(=O)C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001230267429 825345081 /nfs/dbraw/zinc/34/50/81/825345081.db2.gz CHRCKBCZQZLKIF-UHFFFAOYSA-N 2 1 296.415 -0.201 20 0 CBADMP CN(C[C@@H]1CC[N@@H+]1CCOCCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001231217918 825399856 /nfs/dbraw/zinc/39/98/56/825399856.db2.gz SURFFJPHVNNMRH-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001231217918 825399866 /nfs/dbraw/zinc/39/98/66/825399866.db2.gz SURFFJPHVNNMRH-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCOCCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001231217918 825399873 /nfs/dbraw/zinc/39/98/73/825399873.db2.gz SURFFJPHVNNMRH-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCOCCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001231217918 825399878 /nfs/dbraw/zinc/39/98/78/825399878.db2.gz SURFFJPHVNNMRH-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP COC(=O)c1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cn1C ZINC001234986979 825480053 /nfs/dbraw/zinc/48/00/53/825480053.db2.gz LVMUOLMCRDDBGY-HNNXBMFYSA-N 2 1 292.383 -0.051 20 0 CBADMP COc1ncnc(OC)c1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234990269 825480084 /nfs/dbraw/zinc/48/00/84/825480084.db2.gz RXAKMXNQVFOODQ-AWEZNQCLSA-N 2 1 293.371 -0.369 20 0 CBADMP CC1(C)OC[C@H](CN2CC[NH2+]C[C@]23CC[NH2+]C3)O1 ZINC001234981626 825480783 /nfs/dbraw/zinc/48/07/83/825480783.db2.gz PAUOIPJPGXXPKU-WCQYABFASA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+]1CCC(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001235056324 825485531 /nfs/dbraw/zinc/48/55/31/825485531.db2.gz XSZFEYJYZIPFDR-AWEZNQCLSA-N 3 1 252.406 -0.035 20 0 CBADMP C[NH+]1CCC(CN2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001235056324 825485533 /nfs/dbraw/zinc/48/55/33/825485533.db2.gz XSZFEYJYZIPFDR-AWEZNQCLSA-N 2 1 252.406 -0.035 20 0 CBADMP OCC[NH+]1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235204053 825489128 /nfs/dbraw/zinc/48/91/28/825489128.db2.gz CLGUTBPZIXBVFU-UHFFFAOYSA-N 2 1 268.361 -0.548 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235211637 825489412 /nfs/dbraw/zinc/48/94/12/825489412.db2.gz ZKHONRTUBQEALE-MEOGSXJOSA-N 2 1 270.329 -0.887 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235211637 825489421 /nfs/dbraw/zinc/48/94/21/825489421.db2.gz ZKHONRTUBQEALE-MEOGSXJOSA-N 2 1 270.329 -0.887 20 0 CBADMP [NH3+]CCCC[NH+]1CCC(C(=O)N2CCNCC2)CC1 ZINC001235297578 825491860 /nfs/dbraw/zinc/49/18/60/825491860.db2.gz CMJDQKSABQXGGE-UHFFFAOYSA-N 2 1 268.405 -0.131 20 0 CBADMP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001235335669 825493612 /nfs/dbraw/zinc/49/36/12/825493612.db2.gz MOUUZUZHAMAJCM-LBPRGKRZSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001235335669 825493617 /nfs/dbraw/zinc/49/36/17/825493617.db2.gz MOUUZUZHAMAJCM-LBPRGKRZSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001235335668 825494489 /nfs/dbraw/zinc/49/44/89/825494489.db2.gz MOUUZUZHAMAJCM-GFCCVEGCSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001235335668 825494491 /nfs/dbraw/zinc/49/44/91/825494491.db2.gz MOUUZUZHAMAJCM-GFCCVEGCSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235356235 825494588 /nfs/dbraw/zinc/49/45/88/825494588.db2.gz VVZKHTIUONGEQL-OLZOCXBDSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235356235 825494590 /nfs/dbraw/zinc/49/45/90/825494590.db2.gz VVZKHTIUONGEQL-OLZOCXBDSA-N 2 1 269.389 -0.148 20 0 CBADMP 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 825494718 /nfs/dbraw/zinc/49/47/18/825494718.db2.gz HDDJXCJCDAYRTH-HNGSFYKJSA-N 2 1 298.383 -0.235 20 0 CBADMP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1CC[NH3+] ZINC001235496183 825497389 /nfs/dbraw/zinc/49/73/89/825497389.db2.gz WDHKJJDTWXFKJJ-OCCSQVGLSA-N 2 1 285.388 -0.327 20 0 CBADMP C[C@H]([NH3+])CN1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001235519542 825499485 /nfs/dbraw/zinc/49/94/85/825499485.db2.gz XRDBWWMOTKSYFD-RWMBFGLXSA-N 2 1 277.372 -0.039 20 0 CBADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+](CCCO)CC2 ZINC001235520774 825501498 /nfs/dbraw/zinc/50/14/98/825501498.db2.gz IHNVBYFRKURFQH-UHFFFAOYSA-N 2 1 296.371 -0.294 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(CC[NH3+])CC[C@@H]2C1 ZINC001235546733 825503594 /nfs/dbraw/zinc/50/35/94/825503594.db2.gz LIIFOSPCHHUKTA-CHWSQXEVSA-N 2 1 284.404 -0.944 20 0 CBADMP COCC[N@H+]1CCO[C@@H]2CN(CC[NH3+])CC[C@@H]2C1 ZINC001235568824 825504815 /nfs/dbraw/zinc/50/48/15/825504815.db2.gz MFNHHWOHCRGWPW-CHWSQXEVSA-N 2 1 257.378 -0.386 20 0 CBADMP CN1C[C@@H]2C[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C[C@@H]2C1=O ZINC001235601200 825506717 /nfs/dbraw/zinc/50/67/17/825506717.db2.gz LPYDPVNAYLYDKY-VWYCJHECSA-N 2 1 253.346 -0.269 20 0 CBADMP CN1C[C@@H]2C[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C[C@@H]2C1=O ZINC001235601200 825506725 /nfs/dbraw/zinc/50/67/25/825506725.db2.gz LPYDPVNAYLYDKY-VWYCJHECSA-N 2 1 253.346 -0.269 20 0 CBADMP [NH3+]C12CC(CCN3CC[NH2+]CCNCC[NH2+]CC3)(C1)C2 ZINC001235870060 825516386 /nfs/dbraw/zinc/51/63/86/825516386.db2.gz NADWYBGDLRCWKR-UHFFFAOYSA-N 3 1 281.448 -0.658 20 0 CBADMP Cc1ncc(CN2CC[NH2+]CCNCC[NH2+]CC2)[nH]1 ZINC001235870081 825516870 /nfs/dbraw/zinc/51/68/70/825516870.db2.gz HNDFHBGQOBYSBR-UHFFFAOYSA-N 2 1 266.393 -0.697 20 0 CBADMP COC(C)(C)CCN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871104 825517108 /nfs/dbraw/zinc/51/71/08/825517108.db2.gz TWGUMTHRYGVZMC-UHFFFAOYSA-N 2 1 272.437 -0.114 20 0 CBADMP 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 825519508 /nfs/dbraw/zinc/51/95/08/825519508.db2.gz FZPCYYDCQMNNCX-QKDZRIPBSA-N 3 1 293.411 -0.074 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](CC(OC)OC)C[C@H]1C2 ZINC001236025066 825519881 /nfs/dbraw/zinc/51/98/81/825519881.db2.gz UIAAXCLEJGIXQD-ZAZJYDDPSA-N 2 1 298.383 -0.064 20 0 CBADMP 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 825519949 /nfs/dbraw/zinc/51/99/49/825519949.db2.gz FPPSNYSYCMMCNC-USRAEIGSSA-N 3 1 293.411 -0.074 20 0 CBADMP CCOC(=O)[C@]12C[N@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C[C@H]1CNCC2 ZINC001236037281 825519954 /nfs/dbraw/zinc/51/99/54/825519954.db2.gz FPPSNYSYCMMCNC-USRAEIGSSA-N 2 1 293.411 -0.074 20 0 CBADMP CCOC(=O)[C@]12C[N@@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C[C@H]1CNCC2 ZINC001236037281 825519962 /nfs/dbraw/zinc/51/99/62/825519962.db2.gz FPPSNYSYCMMCNC-USRAEIGSSA-N 2 1 293.411 -0.074 20 0 CBADMP CN(C)CC(=O)N[C@@H]1CCC[N@@H+](CCCC[NH3+])C1 ZINC001236467492 825532051 /nfs/dbraw/zinc/53/20/51/825532051.db2.gz PEGJRUFKSJYIML-GFCCVEGCSA-N 2 1 256.394 -0.133 20 0 CBADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CCCC[NH3+])C1 ZINC001236467492 825532054 /nfs/dbraw/zinc/53/20/54/825532054.db2.gz PEGJRUFKSJYIML-GFCCVEGCSA-N 3 1 256.394 -0.133 20 0 CBADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCCC[NH3+])C1 ZINC001236467492 825532059 /nfs/dbraw/zinc/53/20/59/825532059.db2.gz PEGJRUFKSJYIML-GFCCVEGCSA-N 3 1 256.394 -0.133 20 0 CBADMP CCOC(=O)[C@]12C[N@H+](C[C@H]3CCC(=O)N3)C[C@H]1C[NH2+]CC2 ZINC001236038121 825521843 /nfs/dbraw/zinc/52/18/43/825521843.db2.gz NUTOSILWDQBNAS-LALPHHSUSA-N 2 1 295.383 -0.260 20 0 CBADMP CCOC(=O)[C@]12C[N@@H+](C[C@H]3CCC(=O)N3)C[C@H]1C[NH2+]CC2 ZINC001236038121 825521845 /nfs/dbraw/zinc/52/18/45/825521845.db2.gz NUTOSILWDQBNAS-LALPHHSUSA-N 2 1 295.383 -0.260 20 0 CBADMP CC1(C)NC[C@@H](C[N@@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)O1 ZINC001236073416 825523610 /nfs/dbraw/zinc/52/36/10/825523610.db2.gz MYLASWTUYBOVKF-OLZOCXBDSA-N 2 1 268.405 -0.182 20 0 CBADMP CC1(C)NC[C@@H](C[N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)O1 ZINC001236073416 825523617 /nfs/dbraw/zinc/52/36/17/825523617.db2.gz MYLASWTUYBOVKF-OLZOCXBDSA-N 2 1 268.405 -0.182 20 0 CBADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])CC[C@H]1CCC[NH2+]C1 ZINC001236309977 825526469 /nfs/dbraw/zinc/52/64/69/825526469.db2.gz QTQLOSNOYIMICW-CQSZACIVSA-N 4 1 299.463 -0.508 20 0 CBADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])CC[C@H]1CCC[NH2+]C1 ZINC001236309977 825526471 /nfs/dbraw/zinc/52/64/71/825526471.db2.gz QTQLOSNOYIMICW-CQSZACIVSA-N 4 1 299.463 -0.508 20 0 CBADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])CCC12CC([NH3+])(C1)C2 ZINC001236307512 825527295 /nfs/dbraw/zinc/52/72/95/825527295.db2.gz CESOINLBKHGYFN-UHFFFAOYSA-N 4 1 297.447 -0.626 20 0 CBADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])CCC12CC([NH3+])(C1)C2 ZINC001236307512 825527300 /nfs/dbraw/zinc/52/73/00/825527300.db2.gz CESOINLBKHGYFN-UHFFFAOYSA-N 4 1 297.447 -0.626 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](CCC23CC([NH3+])(C2)C3)C[C@@H]1N ZINC001236343232 825527932 /nfs/dbraw/zinc/52/79/32/825527932.db2.gz OYHGDFCTJZEXRQ-WPMGSTCASA-N 2 1 253.346 -0.310 20 0 CBADMP COC(=O)[C@H]1CN(CCC23CC([NH3+])(C2)C3)C[C@@H]1[NH3+] ZINC001236343232 825527939 /nfs/dbraw/zinc/52/79/39/825527939.db2.gz OYHGDFCTJZEXRQ-WPMGSTCASA-N 2 1 253.346 -0.310 20 0 CBADMP COC(=O)[C@H]1C[N@H+](C)CCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236433921 825532466 /nfs/dbraw/zinc/53/24/66/825532466.db2.gz LFXDWPGLWIWWQN-WDEREUQCSA-N 2 1 271.361 -0.500 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](C)CCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236433921 825532468 /nfs/dbraw/zinc/53/24/68/825532468.db2.gz LFXDWPGLWIWWQN-WDEREUQCSA-N 2 1 271.361 -0.500 20 0 CBADMP 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 825533695 /nfs/dbraw/zinc/53/36/95/825533695.db2.gz LDDMLMKGROMBMM-LHWOPQQMSA-N 2 1 298.383 -0.107 20 0 CBADMP 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 825533954 /nfs/dbraw/zinc/53/39/54/825533954.db2.gz LDDMLMKGROMBMM-KTXVKIBTSA-N 2 1 298.383 -0.107 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(=O)n(C)c1=O ZINC001237405909 825534878 /nfs/dbraw/zinc/53/48/78/825534878.db2.gz SJBHSSGCEKAWBL-DGCLKSJQSA-N 2 1 292.383 -0.342 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(=O)n(C)c1=O ZINC001237405909 825534882 /nfs/dbraw/zinc/53/48/82/825534882.db2.gz SJBHSSGCEKAWBL-DGCLKSJQSA-N 2 1 292.383 -0.342 20 0 CBADMP [NH3+]CCS(=O)(=O)N[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001238808125 825564172 /nfs/dbraw/zinc/56/41/72/825564172.db2.gz OKQBUZNBWINKQQ-NSHDSACASA-N 2 1 261.391 -0.261 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NS(=O)(=O)CC[NH3+])[C@H](C)C1 ZINC001238912353 825571169 /nfs/dbraw/zinc/57/11/69/825571169.db2.gz LIGHDRDUGLOLTO-GHMZBOCLSA-N 2 1 263.407 -0.017 20 0 CBADMP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH2+]CC12CC2 ZINC001239018771 825581972 /nfs/dbraw/zinc/58/19/72/825581972.db2.gz JACSOISCSGXJNC-UHFFFAOYSA-N 2 1 273.402 -0.246 20 0 CBADMP C[C@H]([NH3+])CCNC(=S)NCCC[NH+]1CCOCC1 ZINC001239376364 825601914 /nfs/dbraw/zinc/60/19/14/825601914.db2.gz DHJDIFPNMWFRGE-NSHDSACASA-N 2 1 274.434 -0.090 20 0 CBADMP O[C@H](C[NH2+][C@H]1CCNC[C@@H]1F)CC1(O)CC[NH2+]CC1 ZINC001245973977 825616517 /nfs/dbraw/zinc/61/65/17/825616517.db2.gz LUEBLPSZMYWXAK-SRVKXCTJSA-N 2 1 275.368 -0.859 20 0 CBADMP O[C@H](C[NH2+][C@H]1CCCNC1)CC1(O)CC[NH2+]CC1 ZINC001245978811 825616548 /nfs/dbraw/zinc/61/65/48/825616548.db2.gz FTEMQCWLKTZXAI-RYUDHWBXSA-N 2 1 257.378 -0.807 20 0 CBADMP CCCOC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C(=O)OCC ZINC001245982471 825616664 /nfs/dbraw/zinc/61/66/64/825616664.db2.gz PJIYXLQMFPAVMJ-JHJVBQTASA-N 2 1 288.388 -0.095 20 0 CBADMP C[C@@H]1CCNC[C@H]1[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245982609 825617829 /nfs/dbraw/zinc/61/78/29/825617829.db2.gz LLBCDZUBMPGAAY-JHJVBQTASA-N 2 1 271.405 -0.561 20 0 CBADMP [NH3+]CCNCCNC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246007369 825621354 /nfs/dbraw/zinc/62/13/54/825621354.db2.gz KOBYATFHJOPZLY-UONOGXRCSA-N 2 1 266.389 -0.945 20 0 CBADMP OCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC23C[NH2+]C3)cc1 ZINC001246011949 825621371 /nfs/dbraw/zinc/62/13/71/825621371.db2.gz ZYWHFUOEMWWYQJ-HIFRSBDPSA-N 2 1 292.379 -0.087 20 0 CBADMP COc1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001246020209 825623191 /nfs/dbraw/zinc/62/31/91/825623191.db2.gz IJSJXFBMWXZUSD-SLEUVZQESA-N 2 1 296.367 -0.314 20 0 CBADMP COc1cccc(OC[C@@H](O)C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001246020209 825623197 /nfs/dbraw/zinc/62/31/97/825623197.db2.gz IJSJXFBMWXZUSD-SLEUVZQESA-N 2 1 296.367 -0.314 20 0 CBADMP CC[NH+](CC)C[C@H](O)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246024405 825623711 /nfs/dbraw/zinc/62/37/11/825623711.db2.gz FQHYGNJPOWMKPJ-UONOGXRCSA-N 3 1 270.421 -0.674 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCC[C@H]1C[NH3+] ZINC001246024183 825623835 /nfs/dbraw/zinc/62/38/35/825623835.db2.gz QVSOKAQNDXXIAA-ILXRZTDVSA-N 2 1 285.432 -0.014 20 0 CBADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001246021617 825624254 /nfs/dbraw/zinc/62/42/54/825624254.db2.gz ODDNPPDPZAMAHY-ZIAGYGMSSA-N 2 1 271.405 -0.117 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246024289 825624763 /nfs/dbraw/zinc/62/47/63/825624763.db2.gz UOLMBKZWVJRQMU-TZMCWYRMSA-N 3 1 273.421 -0.089 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)CN1CCC[C@](O)(C[NH3+])CC1 ZINC001246024289 825624767 /nfs/dbraw/zinc/62/47/67/825624767.db2.gz UOLMBKZWVJRQMU-TZMCWYRMSA-N 2 1 273.421 -0.089 20 0 CBADMP COc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246025928 825625988 /nfs/dbraw/zinc/62/59/88/825625988.db2.gz YHRDPUHGMPQEAY-HUBLWGQQSA-N 2 1 296.367 -0.314 20 0 CBADMP COc1ccc(OC[C@@H](O)C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246025928 825625993 /nfs/dbraw/zinc/62/59/93/825625993.db2.gz YHRDPUHGMPQEAY-HUBLWGQQSA-N 2 1 296.367 -0.314 20 0 CBADMP Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246026108 825626705 /nfs/dbraw/zinc/62/67/05/825626705.db2.gz ZMJQZCNYKNTDKC-GZBFAFLISA-N 2 1 280.368 -0.014 20 0 CBADMP Cc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246026108 825626710 /nfs/dbraw/zinc/62/67/10/825626710.db2.gz ZMJQZCNYKNTDKC-GZBFAFLISA-N 2 1 280.368 -0.014 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2)C[C@@H]1O ZINC001246025949 825626718 /nfs/dbraw/zinc/62/67/18/825626718.db2.gz YMRDKZGNDJIGPB-OBJOEFQTSA-N 2 1 266.341 -0.322 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2)C[C@@H]1O ZINC001246025949 825626721 /nfs/dbraw/zinc/62/67/21/825626721.db2.gz YMRDKZGNDJIGPB-OBJOEFQTSA-N 2 1 266.341 -0.322 20 0 CBADMP [NH3+]C[C@]1(O)CCCC[N@H+](C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001246025086 825626779 /nfs/dbraw/zinc/62/67/79/825626779.db2.gz SGFPXCOFHJAHON-CHWSQXEVSA-N 3 1 257.378 -0.723 20 0 CBADMP [NH3+]C[C@]1(O)CCCC[N@@H+](C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001246025086 825626783 /nfs/dbraw/zinc/62/67/83/825626783.db2.gz SGFPXCOFHJAHON-CHWSQXEVSA-N 3 1 257.378 -0.723 20 0 CBADMP CC(C)OC[C@@H](O)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246031973 825627127 /nfs/dbraw/zinc/62/71/27/825627127.db2.gz XCOGYOYUGWCQLS-STQMWFEESA-N 2 1 257.378 -0.590 20 0 CBADMP CCCOC[C@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246032417 825628014 /nfs/dbraw/zinc/62/80/14/825628014.db2.gz SSKWYRNWNUYZDY-CYBMUJFWSA-N 2 1 271.405 -0.199 20 0 CBADMP O[C@]1(CN2CCNC[C@]3(CCCC[NH2+]3)C2)CC[NH2+]C1 ZINC001246030338 825628181 /nfs/dbraw/zinc/62/81/81/825628181.db2.gz RTANJPZJOYXTCU-ZIAGYGMSSA-N 2 1 268.405 -0.872 20 0 CBADMP OC1(CN2CC[NH2+]C[C@]23CC[NH2+]C3)CCOCC1 ZINC001246032959 825629379 /nfs/dbraw/zinc/62/93/79/825629379.db2.gz ZZGSYYINLPRQSL-GFCCVEGCSA-N 2 1 255.362 -0.835 20 0 CBADMP O[C@@H](C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)CC1(O)CC[NH2+]CC1 ZINC001246051445 825630434 /nfs/dbraw/zinc/63/04/34/825630434.db2.gz JNSKYIQSLXUNCV-QLFBSQMISA-N 3 1 297.443 -0.217 20 0 CBADMP O[C@H](CN1CCOCC1)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246054466 825630771 /nfs/dbraw/zinc/63/07/71/825630771.db2.gz ZQMNVHHUOHZZJV-QLFBSQMISA-N 2 1 283.416 -0.389 20 0 CBADMP CCC[C@H](O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246059137 825631418 /nfs/dbraw/zinc/63/14/18/825631418.db2.gz YXMGUMGCHWLKKE-ZDUSSCGKSA-N 2 1 258.410 -0.768 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](C)[NH2+]C2)CN1 ZINC001246094591 825635086 /nfs/dbraw/zinc/63/50/86/825635086.db2.gz ISBJBMBXWNZQLU-WYUUTHIRSA-N 2 1 255.362 -0.132 20 0 CBADMP FC1(F)CCNC[C@@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246089684 825635099 /nfs/dbraw/zinc/63/50/99/825635099.db2.gz RYHVRGVYQKGHBU-GHMZBOCLSA-N 2 1 274.359 -0.085 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[NH2+]C2)CN1 ZINC001246115898 825635826 /nfs/dbraw/zinc/63/58/26/825635826.db2.gz CUHHPOLVHKOHMP-SRVKXCTJSA-N 2 1 255.362 -0.131 20 0 CBADMP CN1CCN(CCC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246103234 825636029 /nfs/dbraw/zinc/63/60/29/825636029.db2.gz WSBARCUNRDAODG-CQSZACIVSA-N 2 1 281.448 -0.693 20 0 CBADMP C[C@H]1CC[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)C[NH2+]1 ZINC001246097624 825636072 /nfs/dbraw/zinc/63/60/72/825636072.db2.gz ZIWYHOVEXZNULF-WDEREUQCSA-N 2 1 255.362 -0.001 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)CN1 ZINC001246099122 825636088 /nfs/dbraw/zinc/63/60/88/825636088.db2.gz LNDWBQQIGVQIDT-WHOHXGKFSA-N 2 1 255.362 -0.275 20 0 CBADMP O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCNCC1 ZINC001246107136 825636170 /nfs/dbraw/zinc/63/61/70/825636170.db2.gz GSIPMDWANFSVSJ-FUNVUKJBSA-N 2 1 266.389 -0.319 20 0 CBADMP O=C1C[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CN1 ZINC001246138245 825640325 /nfs/dbraw/zinc/64/03/25/825640325.db2.gz BAIANKWSDMAFBO-MNOVXSKESA-N 2 1 252.362 -0.661 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](n2c(C)c[nH+]c2CC[NH3+])CN1 ZINC001246181498 825645595 /nfs/dbraw/zinc/64/55/95/825645595.db2.gz VAFDSXGTUYMCGJ-ZJUUUORDSA-N 2 1 252.318 -0.231 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](n2c(C)cnc2CC[NH3+])C[NH2+]1 ZINC001246181498 825645597 /nfs/dbraw/zinc/64/55/97/825645597.db2.gz VAFDSXGTUYMCGJ-ZJUUUORDSA-N 2 1 252.318 -0.231 20 0 CBADMP CCOC(=O)c1nnc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)o1 ZINC001246189040 825648061 /nfs/dbraw/zinc/64/80/61/825648061.db2.gz LPFWRZAQKWHLIC-VIFPVBQESA-N 2 1 295.343 -0.570 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246188019 825648212 /nfs/dbraw/zinc/64/82/12/825648212.db2.gz SMUUAPXRCNXNQQ-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N[C@H]2C[NH2+]CC[C@H]2F)C[NH2+]1 ZINC001246218449 825652074 /nfs/dbraw/zinc/65/20/74/825652074.db2.gz SYOLDLIJMIOLOS-HNCHTBHHSA-N 2 1 273.352 -0.040 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2F)CN1 ZINC001246220438 825652864 /nfs/dbraw/zinc/65/28/64/825652864.db2.gz GDQWECRTWUOVKF-NAKRPEOUSA-N 2 1 259.325 -0.573 20 0 CBADMP COC(=O)[C@@H]1CCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246247124 825655265 /nfs/dbraw/zinc/65/52/65/825655265.db2.gz WOYZUGRNFMNWDO-QWRGUYRKSA-N 2 1 253.346 -0.282 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC001246254448 825656142 /nfs/dbraw/zinc/65/61/42/825656142.db2.gz HNBRPWHRODUEHD-CHWSQXEVSA-N 3 1 268.405 -0.119 20 0 CBADMP COC(=O)CC(CC(=O)OC)[NH2+]C1CC[NH2+]CC1 ZINC001246264857 825658360 /nfs/dbraw/zinc/65/83/60/825658360.db2.gz DPGFZDYAOMJMJL-UHFFFAOYSA-N 2 1 258.318 -0.177 20 0 CBADMP COC(=O)C1C[C@@H]2CC(N[C@H]3C[NH2+]CCC3=O)C[C@H](C1)[NH2+]2 ZINC001246291667 825660353 /nfs/dbraw/zinc/66/03/53/825660353.db2.gz NCMKNTYFWUWZRW-ZYLJPLBTSA-N 2 1 295.383 -0.421 20 0 CBADMP C[C@H]1C[C@@H](NCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246291968 825660435 /nfs/dbraw/zinc/66/04/35/825660435.db2.gz WKJQIQROZCIFTG-KBPBESRZSA-N 2 1 289.420 -0.275 20 0 CBADMP C[C@H]1CC[C@H]([NH2+]CCOCCOCCOCC[NH3+])CN1 ZINC001246288101 825660721 /nfs/dbraw/zinc/66/07/21/825660721.db2.gz LLEFHPYYMATPJR-KBPBESRZSA-N 2 1 289.420 -0.275 20 0 CBADMP COC(=O)[C@@H]1C[C@H](n2[nH]c(=O)c(CC[NH3+])c2C)C[NH2+]1 ZINC001246289443 825660928 /nfs/dbraw/zinc/66/09/28/825660928.db2.gz KMYZJAGRDWZXES-WPRPVWTQSA-N 2 1 268.317 -0.526 20 0 CBADMP COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246304330 825661935 /nfs/dbraw/zinc/66/19/35/825661935.db2.gz CGZITDRRMQVHGU-JQWIXIFHSA-N 2 1 283.372 -0.120 20 0 CBADMP COC(=O)C1CCC([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246299869 825662007 /nfs/dbraw/zinc/66/20/07/825662007.db2.gz NSODXOKFCJFVOI-RUJICJSRSA-N 2 1 256.346 -0.112 20 0 CBADMP CS(=O)(=O)C1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246306780 825662907 /nfs/dbraw/zinc/66/29/07/825662907.db2.gz LMXFUYHMYXPESD-WNYYMSAVSA-N 2 1 276.402 -0.488 20 0 CBADMP COC(=O)N1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246306048 825663184 /nfs/dbraw/zinc/66/31/84/825663184.db2.gz KHPQGQXUKXRSMX-GXSJLCMTSA-N 2 1 257.334 -0.613 20 0 CBADMP [NH3+]C[C@]1(N[C@H]2CCNC3(C[NH2+]C3)C2)CN2CCC1CC2 ZINC001246322602 825664376 /nfs/dbraw/zinc/66/43/76/825664376.db2.gz BEBBMPFIJASXPJ-ZFWWWQNUSA-N 2 1 279.432 -0.907 20 0 CBADMP CCOC(=O)C1=C(NC2C[C@@H]3COC[C@H](C2)[N@@H+]3C)C[NH2+]C1 ZINC001246352703 825668158 /nfs/dbraw/zinc/66/81/58/825668158.db2.gz SIRDTLYKDYFSSV-YOGCLGLASA-N 2 1 295.383 -0.142 20 0 CBADMP CCOC(=O)C1=C(NC2C[C@@H]3COC[C@H](C2)[N@H+]3C)C[NH2+]C1 ZINC001246352703 825668163 /nfs/dbraw/zinc/66/81/63/825668163.db2.gz SIRDTLYKDYFSSV-YOGCLGLASA-N 2 1 295.383 -0.142 20 0 CBADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C(=O)OC)NC2)CC1 ZINC001246361520 825668707 /nfs/dbraw/zinc/66/87/07/825668707.db2.gz YDSTXBYLNKRIEM-KBPBESRZSA-N 2 1 299.415 -0.020 20 0 CBADMP COCC[NH+]1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246358834 825669138 /nfs/dbraw/zinc/66/91/38/825669138.db2.gz JLIFINZDAVWDQT-AWEZNQCLSA-N 3 1 282.432 -0.219 20 0 CBADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246400145 825670724 /nfs/dbraw/zinc/67/07/24/825670724.db2.gz DEHMNXCDLLEJJZ-QCNOEVLYSA-N 3 1 255.362 -0.146 20 0 CBADMP COC(=O)C1C[C@@H]2CC([NH2+]CCNCC[NH3+])C[C@H](C1)N2 ZINC001246406891 825671751 /nfs/dbraw/zinc/67/17/51/825671751.db2.gz VTAWKVXUWMICEP-BPNZPQAUSA-N 2 1 284.404 -0.804 20 0 CBADMP COCCC1([NH3+])CCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246424778 825672734 /nfs/dbraw/zinc/67/27/34/825672734.db2.gz UEWCZHXVLWPKFU-NEPJUHHUSA-N 2 1 285.388 -0.280 20 0 CBADMP CC(C)C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)C(=O)NCC(N)=O ZINC001246448876 825673536 /nfs/dbraw/zinc/67/35/36/825673536.db2.gz LOBANVNHKLETOC-SRVKXCTJSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)C[C@H]([NH2+]C1CC[NH2+]CC1)C(=O)NCC(N)=O ZINC001246448888 825674156 /nfs/dbraw/zinc/67/41/56/825674156.db2.gz LPPOAPDBUBLQFX-NSHDSACASA-N 2 1 270.377 -0.656 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](NCCC[NH2+]CCC[NH3+])CN1 ZINC001246453418 825674323 /nfs/dbraw/zinc/67/43/23/825674323.db2.gz NULWZIAUAZFPEZ-TZMCWYRMSA-N 2 1 286.420 -0.412 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC23CC3)CN1 ZINC001246473773 825676429 /nfs/dbraw/zinc/67/64/29/825676429.db2.gz NIGCFPOOQYCPRN-GARJFASQSA-N 2 1 253.346 -0.378 20 0 CBADMP C[NH2+]C1CN([C@@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)C1 ZINC001246523032 825680341 /nfs/dbraw/zinc/68/03/41/825680341.db2.gz LIBPCWNPRMSLKI-QWRGUYRKSA-N 2 1 255.362 -0.038 20 0 CBADMP C[N@@H+](CCN1CCOCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246528317 825681937 /nfs/dbraw/zinc/68/19/37/825681937.db2.gz WTZLODGOERMZNF-CYBMUJFWSA-N 2 1 268.405 -0.656 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246542347 825682772 /nfs/dbraw/zinc/68/27/72/825682772.db2.gz JWRDBNPKSSBNMP-NQBHXWOUSA-N 2 1 271.361 -0.934 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246545438 825683309 /nfs/dbraw/zinc/68/33/09/825683309.db2.gz VZFBXJIEOSGEKQ-UKRRQHHQSA-N 2 1 299.415 -0.201 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246545435 825683367 /nfs/dbraw/zinc/68/33/67/825683367.db2.gz VZFBXJIEOSGEKQ-DZGCQCFKSA-N 2 1 299.415 -0.201 20 0 CBADMP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CCN1 ZINC001246541930 825683431 /nfs/dbraw/zinc/68/34/31/825683431.db2.gz HTDUVPMAFHLNBV-YDHLFZDLSA-N 2 1 299.415 -0.154 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CCN1 ZINC001246544370 825683534 /nfs/dbraw/zinc/68/35/34/825683534.db2.gz RESXEMLZLZOVRB-DYEKYZERSA-N 2 1 285.388 -0.544 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246555064 825684139 /nfs/dbraw/zinc/68/41/39/825684139.db2.gz BFNUUDNBWRXZRN-QWRGUYRKSA-N 3 1 274.359 -0.004 20 0 CBADMP [NH3+]C[C@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246555064 825684140 /nfs/dbraw/zinc/68/41/40/825684140.db2.gz BFNUUDNBWRXZRN-QWRGUYRKSA-N 2 1 274.359 -0.004 20 0 CBADMP [NH3+][C@@H]1CC[N@H+](C2CCN(C(=O)C(F)(F)F)CC2)C[C@H]1O ZINC001246556723 825684617 /nfs/dbraw/zinc/68/46/17/825684617.db2.gz CTYZSLVNNRKUHZ-NXEZZACHSA-N 2 1 295.305 -0.066 20 0 CBADMP [NH3+]C[C@]1(O)CCCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246557441 825684863 /nfs/dbraw/zinc/68/48/63/825684863.db2.gz INEBBMLQPDSPFG-GXTWGEPZSA-N 3 1 268.405 -0.744 20 0 CBADMP NC[C@]1(O)CCCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246557441 825684869 /nfs/dbraw/zinc/68/48/69/825684869.db2.gz INEBBMLQPDSPFG-GXTWGEPZSA-N 2 1 268.405 -0.744 20 0 CBADMP NC[C@]1(O)CCCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246557441 825684873 /nfs/dbraw/zinc/68/48/73/825684873.db2.gz INEBBMLQPDSPFG-GXTWGEPZSA-N 2 1 268.405 -0.744 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CO1 ZINC001246563292 825685659 /nfs/dbraw/zinc/68/56/59/825685659.db2.gz CSEFRCBIYUWLTJ-QCNOEVLYSA-N 2 1 272.345 -0.509 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CO1 ZINC001246563292 825685662 /nfs/dbraw/zinc/68/56/62/825685662.db2.gz CSEFRCBIYUWLTJ-QCNOEVLYSA-N 2 1 272.345 -0.509 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2CCCC[C@@](O)(C[NH3+])C2)C[NH2+]1 ZINC001246565142 825686448 /nfs/dbraw/zinc/68/64/48/825686448.db2.gz YGXNTPFINDPDGV-NWANDNLSSA-N 2 1 299.415 -0.154 20 0 CBADMP [NH3+]C[C@]1(O)CCCC[N@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246560016 825686718 /nfs/dbraw/zinc/68/67/18/825686718.db2.gz ORUIRXLNCKNOFQ-QWHCGFSZSA-N 3 1 269.389 -0.317 20 0 CBADMP NC[C@]1(O)CCCC[N@@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246560016 825686720 /nfs/dbraw/zinc/68/67/20/825686720.db2.gz ORUIRXLNCKNOFQ-QWHCGFSZSA-N 2 1 269.389 -0.317 20 0 CBADMP NC[C@]1(O)CCCC[N@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246560016 825686722 /nfs/dbraw/zinc/68/67/22/825686722.db2.gz ORUIRXLNCKNOFQ-QWHCGFSZSA-N 2 1 269.389 -0.317 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CCN1 ZINC001246562519 825686860 /nfs/dbraw/zinc/68/68/60/825686860.db2.gz STAFYXHHUWIFLU-MBNYWOFBSA-N 2 1 285.388 -0.544 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2CC[C@@H]([NH3+])[C@H](F)CC2)C[NH2+]1 ZINC001246568586 825687964 /nfs/dbraw/zinc/68/79/64/825687964.db2.gz AHRKEUQNISUQHZ-LNFKQOIKSA-N 2 1 259.325 -0.349 20 0 CBADMP C[C@@]1(O)CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1F ZINC001246577052 825688824 /nfs/dbraw/zinc/68/88/24/825688824.db2.gz QIKUHJPWQVDQNK-SDDRHHMPSA-N 2 1 257.353 -0.125 20 0 CBADMP COC(=O)N1CCC([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246579355 825688853 /nfs/dbraw/zinc/68/88/53/825688853.db2.gz IPYRGGNADSJJKM-GXSJLCMTSA-N 2 1 257.334 -0.531 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCN[C@@H](C(F)(F)F)C2)C[C@@H]1O ZINC001246582531 825690186 /nfs/dbraw/zinc/69/01/86/825690186.db2.gz GWDRFIFFBDSFBG-AATLWQCWSA-N 2 1 267.295 -0.079 20 0 CBADMP N[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246585935 825690566 /nfs/dbraw/zinc/69/05/66/825690566.db2.gz YTBNAHXCCUHKIH-UWVGGRQHSA-N 2 1 260.332 -0.251 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)C[C@H]1O ZINC001246586016 825690666 /nfs/dbraw/zinc/69/06/66/825690666.db2.gz PNXCGUMPTFMXTJ-VXGQWTEUSA-N 3 1 283.416 -0.119 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C2CCC(N3CCOCC3)CC2)C[C@H]1O ZINC001246586016 825690673 /nfs/dbraw/zinc/69/06/73/825690673.db2.gz PNXCGUMPTFMXTJ-VXGQWTEUSA-N 2 1 283.416 -0.119 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C2CCC(N3CCOCC3)CC2)C[C@H]1O ZINC001246586016 825690675 /nfs/dbraw/zinc/69/06/75/825690675.db2.gz PNXCGUMPTFMXTJ-VXGQWTEUSA-N 2 1 283.416 -0.119 20 0 CBADMP CCN(CC)C(=O)C[C@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246581221 825691457 /nfs/dbraw/zinc/69/14/57/825691457.db2.gz RMOLEUWBMQXPBJ-SDDRHHMPSA-N 2 1 257.378 -0.115 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C2CCN(C(=O)C(F)(F)F)CC2)C[C@H]1O ZINC001246589309 825692113 /nfs/dbraw/zinc/69/21/13/825692113.db2.gz ZNCPQRVBCULMBB-WCBMZHEXSA-N 2 1 295.305 -0.209 20 0 CBADMP C[C@]1(O)COCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246593962 825692248 /nfs/dbraw/zinc/69/22/48/825692248.db2.gz UNJCVEZBIPTYTO-NWDGAFQWSA-N 2 1 255.362 -0.836 20 0 CBADMP CCOC(=O)C1=C(O)CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246590795 825692786 /nfs/dbraw/zinc/69/27/86/825692786.db2.gz AGMRMPVFEJKYDV-RYUDHWBXSA-N 2 1 295.383 -0.466 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@@H](C[NH3+])CC[C@H]2C)C[NH2+]1 ZINC001246588939 825692863 /nfs/dbraw/zinc/69/28/63/825692863.db2.gz BRVWOZJQXMVRCC-WYUUTHIRSA-N 2 1 255.362 -0.051 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CN1 ZINC001246592570 825692937 /nfs/dbraw/zinc/69/29/37/825692937.db2.gz KJTGGPJBLMIHSQ-WOPDTQHZSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CN1 ZINC001246592570 825692939 /nfs/dbraw/zinc/69/29/39/825692939.db2.gz KJTGGPJBLMIHSQ-WOPDTQHZSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCCC[C@H](C[NH3+])C2)C[NH2+]1 ZINC001246592570 825692940 /nfs/dbraw/zinc/69/29/40/825692940.db2.gz KJTGGPJBLMIHSQ-WOPDTQHZSA-N 2 1 255.362 -0.049 20 0 CBADMP COC[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246595734 825693018 /nfs/dbraw/zinc/69/30/18/825693018.db2.gz VJYVDJOXVGIZAZ-NEPJUHHUSA-N 2 1 254.378 -0.999 20 0 CBADMP COC[C@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001246595734 825693024 /nfs/dbraw/zinc/69/30/24/825693024.db2.gz VJYVDJOXVGIZAZ-NEPJUHHUSA-N 2 1 254.378 -0.999 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCNC3(CC[NH2+]CC3)C1)CCO2 ZINC001246598446 825693836 /nfs/dbraw/zinc/69/38/36/825693836.db2.gz BHQPCCZSQOOYJB-CYBMUJFWSA-N 2 1 280.416 -0.465 20 0 CBADMP C1[NH2+]CC12C[C@@H]([NH+]1CC3(C1)CCC[NH2+]C3)CCN2 ZINC001246602723 825694541 /nfs/dbraw/zinc/69/45/41/825694541.db2.gz CIEXTAURJJPLAQ-LBPRGKRZSA-N 3 1 250.390 -0.234 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@@]3(CCC[NH2+]3)C1)CCN2 ZINC001246611880 825695395 /nfs/dbraw/zinc/69/53/95/825695395.db2.gz DSHAEYMIZRHPKB-STQMWFEESA-N 3 1 250.390 -0.092 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@@]3(CCC[NH2+]3)C1)CCN2 ZINC001246611880 825695401 /nfs/dbraw/zinc/69/54/01/825695401.db2.gz DSHAEYMIZRHPKB-STQMWFEESA-N 3 1 250.390 -0.092 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCOCC3(CC[NH2+]CC3)C2)CN1 ZINC001246616343 825695591 /nfs/dbraw/zinc/69/55/91/825695591.db2.gz VUDWCPJLBNCQAQ-OLZOCXBDSA-N 2 1 297.399 -0.408 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@@]3(CCC[NH2+]3)C1)CCN2 ZINC001246611877 825695611 /nfs/dbraw/zinc/69/56/11/825695611.db2.gz DSHAEYMIZRHPKB-OLZOCXBDSA-N 3 1 250.390 -0.092 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@@]3(CCC[NH2+]3)C1)CCN2 ZINC001246611877 825695612 /nfs/dbraw/zinc/69/56/12/825695612.db2.gz DSHAEYMIZRHPKB-OLZOCXBDSA-N 3 1 250.390 -0.092 20 0 CBADMP C1[NH2+]CC12C[C@H](N1CC[NH2+]C[C@@]13CC[NH2+]C3)CS2 ZINC001246620900 825696360 /nfs/dbraw/zinc/69/63/60/825696360.db2.gz BOPOXJHNMJUUAG-RYUDHWBXSA-N 3 1 268.430 -0.529 20 0 CBADMP C1[NH2+]CC12CC[C@H](N1CC[NH2+]C[C@@]13CC[NH2+]C3)C2 ZINC001246624449 825696622 /nfs/dbraw/zinc/69/66/22/825696622.db2.gz NBENOWFBBVOTOF-JSGCOSHPSA-N 3 1 250.390 -0.234 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246622289 825696644 /nfs/dbraw/zinc/69/66/44/825696644.db2.gz HBLCYTCWMZQACS-DZGCQCFKSA-N 2 1 296.415 -0.739 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@H]3C[NH2+]CC[C@H]31)CCN2 ZINC001246625095 825697067 /nfs/dbraw/zinc/69/70/67/825697067.db2.gz QZJZMKZCSAZWJZ-YNEHKIRRSA-N 3 1 250.390 -0.236 20 0 CBADMP C1[NH2+]CC12CC[C@@H](N1CC[NH2+]C[C@@]13CC[NH2+]C3)C2 ZINC001246624452 825697124 /nfs/dbraw/zinc/69/71/24/825697124.db2.gz NBENOWFBBVOTOF-OCCSQVGLSA-N 3 1 250.390 -0.234 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246622292 825697307 /nfs/dbraw/zinc/69/73/07/825697307.db2.gz HBLCYTCWMZQACS-HIFRSBDPSA-N 2 1 296.415 -0.739 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CN1 ZINC001246631074 825697745 /nfs/dbraw/zinc/69/77/45/825697745.db2.gz ONANYCMMXORZPQ-SGMGOOAPSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CN1 ZINC001246631074 825697747 /nfs/dbraw/zinc/69/77/47/825697747.db2.gz ONANYCMMXORZPQ-SGMGOOAPSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C1C[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)CCN1C1CC1 ZINC001246627278 825698323 /nfs/dbraw/zinc/69/83/23/825698323.db2.gz IVWCWHNXHZGNSR-HIFRSBDPSA-N 2 1 278.400 -0.223 20 0 CBADMP C1[NH2+]CC12C[C@H](N1CCNC[C@@]3(CCCC[NH2+]3)C1)CCO2 ZINC001246628886 825698337 /nfs/dbraw/zinc/69/83/37/825698337.db2.gz MJAKXKOAWJWETK-CABCVRRESA-N 2 1 294.443 -0.075 20 0 CBADMP O=C1NCC[C@@]12C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC21C[NH2+]C1 ZINC001246630676 825698348 /nfs/dbraw/zinc/69/83/48/825698348.db2.gz ULYPKQPLAXNXCE-TUURBPCVSA-N 3 1 290.411 -0.319 20 0 CBADMP O=C1NCC[C@@]12C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC21C[NH2+]C1 ZINC001246630676 825698351 /nfs/dbraw/zinc/69/83/51/825698351.db2.gz ULYPKQPLAXNXCE-TUURBPCVSA-N 3 1 290.411 -0.319 20 0 CBADMP COC(=O)[C@@H]1CC[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001246628403 825698482 /nfs/dbraw/zinc/69/84/82/825698482.db2.gz LJUHHEAGAGXGMG-DYEKYZERSA-N 2 1 267.373 -0.035 20 0 CBADMP CCOC(=O)[C@@H]1C[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)CCN1 ZINC001246625930 825698542 /nfs/dbraw/zinc/69/85/42/825698542.db2.gz QFURERXKBVZNKX-YDHLFZDLSA-N 2 1 296.415 -0.693 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CN1 ZINC001246636658 825699454 /nfs/dbraw/zinc/69/94/54/825699454.db2.gz VWKDEUFWULBDIX-ZOBORPQBSA-N 2 1 297.399 -0.410 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CCO2 ZINC001246640727 825700357 /nfs/dbraw/zinc/70/03/57/825700357.db2.gz GVFCALYIRYPYMW-QWHCGFSZSA-N 3 1 266.389 -0.855 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1CCN[C@@]3(CC[NH2+]C3)C1)CCO2 ZINC001246640727 825700360 /nfs/dbraw/zinc/70/03/60/825700360.db2.gz GVFCALYIRYPYMW-QWHCGFSZSA-N 2 1 266.389 -0.855 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCN[C@]3(CC[NH2+]C3)C1)CCO2 ZINC001246640728 825700484 /nfs/dbraw/zinc/70/04/84/825700484.db2.gz GVFCALYIRYPYMW-STQMWFEESA-N 3 1 266.389 -0.855 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1CCN[C@]3(CC[NH2+]C3)C1)CCO2 ZINC001246640728 825700488 /nfs/dbraw/zinc/70/04/88/825700488.db2.gz GVFCALYIRYPYMW-STQMWFEESA-N 2 1 266.389 -0.855 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCCCC23C[NH2+]C3)C[NH2+]1 ZINC001246640561 825700883 /nfs/dbraw/zinc/70/08/83/825700883.db2.gz DYDRPJGRCSMPSO-QWRGUYRKSA-N 2 1 253.346 -0.282 20 0 CBADMP CCN1CC[C@@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1=O ZINC001246642039 825701296 /nfs/dbraw/zinc/70/12/96/825701296.db2.gz LCVOYXUAKVNUCP-TZMCWYRMSA-N 2 1 266.389 -0.365 20 0 CBADMP O=C1C[C@@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC001246643736 825701426 /nfs/dbraw/zinc/70/14/26/825701426.db2.gz PWZUYFDHHJSMMB-DZGCQCFKSA-N 2 1 278.400 -0.223 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCOC[C@]3(CCC[NH2+]C3)C2)C[NH2+]1 ZINC001246644808 825701486 /nfs/dbraw/zinc/70/14/86/825701486.db2.gz JFPXIUHRGLGBEA-IPYPFGDCSA-N 2 1 297.399 -0.408 20 0 CBADMP O=C1CC[C@@H]2C[C@H]([N@H+]3CCN[C@]4(CC[NH2+]C4)C3)CCN12 ZINC001246645326 825702175 /nfs/dbraw/zinc/70/21/75/825702175.db2.gz UHNWDHSDBWJNIH-NFAWXSAZSA-N 2 1 278.400 -0.223 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCOC[C@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246645369 825702973 /nfs/dbraw/zinc/70/29/73/825702973.db2.gz KOSVQMLBVASUNC-GJZGRUSLSA-N 3 1 294.443 -0.218 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1CCOC[C@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246645369 825702974 /nfs/dbraw/zinc/70/29/74/825702974.db2.gz KOSVQMLBVASUNC-GJZGRUSLSA-N 2 1 294.443 -0.218 20 0 CBADMP c1nnc2n1CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246646954 825703010 /nfs/dbraw/zinc/70/30/10/825703010.db2.gz YBSBSGTXLDIEAO-NSHDSACASA-N 2 1 262.361 -0.770 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[NH2+]1 ZINC001246660846 825703893 /nfs/dbraw/zinc/70/38/93/825703893.db2.gz PHHNUQBLIDNCNR-RHYQMDGZSA-N 2 1 253.346 -0.426 20 0 CBADMP OC[C@@H]1C[C@@H]2OCC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)[C@H]2C1 ZINC001246662028 825704350 /nfs/dbraw/zinc/70/43/50/825704350.db2.gz VGTCZIKUTNKBRM-CRWXNKLISA-N 2 1 281.400 -0.448 20 0 CBADMP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCC[NH2+]C2)O1 ZINC001246700329 825708028 /nfs/dbraw/zinc/70/80/28/825708028.db2.gz IWWSKWHXBBWQEE-DGAVXFQQSA-N 2 1 297.399 -0.267 20 0 CBADMP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCC[NH2+]C2)O1 ZINC001246700329 825708032 /nfs/dbraw/zinc/70/80/32/825708032.db2.gz IWWSKWHXBBWQEE-DGAVXFQQSA-N 2 1 297.399 -0.267 20 0 CBADMP CC(=O)N1CC(=O)NC[C@]12CC[N@@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246760003 825708902 /nfs/dbraw/zinc/70/89/02/825708902.db2.gz NVYFVBZWVUQSOS-LNSITVRQSA-N 2 1 294.399 -0.450 20 0 CBADMP CC(=O)N1CC(=O)NC[C@]12CC[N@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246760003 825708907 /nfs/dbraw/zinc/70/89/07/825708907.db2.gz NVYFVBZWVUQSOS-LNSITVRQSA-N 2 1 294.399 -0.450 20 0 CBADMP CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246749658 825709100 /nfs/dbraw/zinc/70/91/00/825709100.db2.gz RSUWYHYLIWNMLL-JHJVBQTASA-N 2 1 278.400 -0.225 20 0 CBADMP COCCN1C[C@@H]2C[N@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]2C1=O ZINC001246755301 825709488 /nfs/dbraw/zinc/70/94/88/825709488.db2.gz KKJBETVKCBEXJJ-UPJWGTAASA-N 2 1 267.373 -0.225 20 0 CBADMP C1[NH2+]CC12C[C@@H]([NH+]1CCN(C3CCOCC3)CC1)CCN2 ZINC001246787662 825709938 /nfs/dbraw/zinc/70/99/38/825709938.db2.gz DXFLUVITXVBGBP-HNNXBMFYSA-N 2 1 294.443 -0.123 20 0 CBADMP NC(=O)[C@H]1CCCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246794052 825711603 /nfs/dbraw/zinc/71/16/03/825711603.db2.gz WFRAMQULKNTNRM-WDEREUQCSA-N 2 1 252.362 -0.580 20 0 CBADMP CCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246795847 825712265 /nfs/dbraw/zinc/71/22/65/825712265.db2.gz HLYQVTFCHCEVDV-NEPJUHHUSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+](C)C[C@H]2CC[NH2+]C2)CN1 ZINC001246815297 825714327 /nfs/dbraw/zinc/71/43/27/825714327.db2.gz XSSXXVUCSOTQLJ-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](C)C[C@H]2CC[NH2+]C2)CN1 ZINC001246815297 825714334 /nfs/dbraw/zinc/71/43/34/825714334.db2.gz XSSXXVUCSOTQLJ-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP CCOC(=O)[C@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246817316 825714789 /nfs/dbraw/zinc/71/47/89/825714789.db2.gz RDFLQHQBVCYUAW-RYUDHWBXSA-N 2 1 267.373 -0.035 20 0 CBADMP CCOC(=O)CC[N@@H+](C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246814241 825715023 /nfs/dbraw/zinc/71/50/23/825715023.db2.gz ORRVXSJYSJSGSN-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP C1COC[C@H]([NH+]2CCNCC[NH2+]CCNCC2)C1 ZINC001246821287 825716381 /nfs/dbraw/zinc/71/63/81/825716381.db2.gz NTAVTFIGXYHJRT-CYBMUJFWSA-N 2 1 256.394 -0.750 20 0 CBADMP C1[NH2+]CC12CC[C@H](N1CC[NH2+]CCNCC[NH2+]CC1)C2 ZINC001246819706 825716595 /nfs/dbraw/zinc/71/65/95/825716595.db2.gz HUTFILYYQBAYQU-AWEZNQCLSA-N 3 1 281.448 -0.787 20 0 CBADMP C1C[C@@H]([NH+]2CCNCC[NH2+]CCNCC2)CS1 ZINC001246822880 825717274 /nfs/dbraw/zinc/71/72/74/825717274.db2.gz TUBYZOZJAVEFRV-GFCCVEGCSA-N 2 1 258.435 -0.424 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246824542 825717634 /nfs/dbraw/zinc/71/76/34/825717634.db2.gz YUKMPPTXQBEDNN-CQSZACIVSA-N 3 1 269.437 -0.835 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N(C)C[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246839152 825719155 /nfs/dbraw/zinc/71/91/55/825719155.db2.gz BIZPTMWSVXXQDK-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP CN(C1C[NH2+]C1)[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246831313 825719434 /nfs/dbraw/zinc/71/94/34/825719434.db2.gz CKIYUIPHKCWHDS-KOLCDFICSA-N 2 1 255.362 -0.038 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N(C)C[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246839154 825719442 /nfs/dbraw/zinc/71/94/42/825719442.db2.gz BIZPTMWSVXXQDK-TUAOUCFPSA-N 2 1 255.362 -0.179 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[NH+]3CCC2CC3)C[NH2+]1 ZINC001246845765 825719926 /nfs/dbraw/zinc/71/99/26/825719926.db2.gz NYFOJQKGFSGHMQ-RYUDHWBXSA-N 2 1 253.346 -0.330 20 0 CBADMP C[N@@H+](CCN1CC[NH+](C)CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246851661 825720185 /nfs/dbraw/zinc/72/01/85/825720185.db2.gz ZNDRJFJJGZQOIL-CQSZACIVSA-N 3 1 281.448 -0.740 20 0 CBADMP CN1CCN(CC[N@H+](C)[C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246851661 825720195 /nfs/dbraw/zinc/72/01/95/825720195.db2.gz ZNDRJFJJGZQOIL-CQSZACIVSA-N 2 1 281.448 -0.740 20 0 CBADMP CN1CCN(CC[N@@H+](C)[C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246851661 825720201 /nfs/dbraw/zinc/72/02/01/825720201.db2.gz ZNDRJFJJGZQOIL-CQSZACIVSA-N 2 1 281.448 -0.740 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)CN1 ZINC001246847127 825720818 /nfs/dbraw/zinc/72/08/18/825720818.db2.gz PODYKZGPZZZIAY-BJDJZHNGSA-N 2 1 253.346 -0.569 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)CN1 ZINC001246847132 825720909 /nfs/dbraw/zinc/72/09/09/825720909.db2.gz PODYKZGPZZZIAY-WYUUTHIRSA-N 2 1 253.346 -0.569 20 0 CBADMP C[C@H]1C(=O)N(C)CC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246855390 825722829 /nfs/dbraw/zinc/72/28/29/825722829.db2.gz XOPRVNYKLGRNKW-WDEREUQCSA-N 2 1 252.362 -0.757 20 0 CBADMP Cn1cnc2c1CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246854698 825722906 /nfs/dbraw/zinc/72/29/06/825722906.db2.gz FWXMYILDNVFASC-LLVKDONJSA-N 2 1 261.373 -0.128 20 0 CBADMP Cn1cnc2c1CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246854698 825722910 /nfs/dbraw/zinc/72/29/10/825722910.db2.gz FWXMYILDNVFASC-LLVKDONJSA-N 2 1 261.373 -0.128 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N2C[C@H]3COC[C@@H](C2)C3[NH3+])C[NH2+]1 ZINC001246858188 825723091 /nfs/dbraw/zinc/72/30/91/825723091.db2.gz DBICNNBKOXBWTO-SNKAUFMGSA-N 2 1 297.399 -0.424 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCOC[C@@H]2C[NH+](C)C)C[NH2+]1 ZINC001246864230 825724062 /nfs/dbraw/zinc/72/40/62/825724062.db2.gz ROSGCXUKKSTMGO-SRVKXCTJSA-N 2 1 271.361 -0.848 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246871364 825725246 /nfs/dbraw/zinc/72/52/46/825725246.db2.gz QVYMNVKDBLYUPA-ZFWWWQNUSA-N 2 1 298.431 -0.493 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CCN1 ZINC001246868677 825725395 /nfs/dbraw/zinc/72/53/95/825725395.db2.gz KDLGFCOQZVVYPP-NOHGZBONSA-N 2 1 253.346 -0.297 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CCN1 ZINC001246868677 825725402 /nfs/dbraw/zinc/72/54/02/825725402.db2.gz KDLGFCOQZVVYPP-NOHGZBONSA-N 2 1 253.346 -0.297 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246871361 825726087 /nfs/dbraw/zinc/72/60/87/825726087.db2.gz QVYMNVKDBLYUPA-DZGCQCFKSA-N 2 1 298.431 -0.493 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C[NH2+]1 ZINC001246895803 825729013 /nfs/dbraw/zinc/72/90/13/825729013.db2.gz QTZSMFNGSULAJS-NRWUCQMLSA-N 2 1 267.373 -0.227 20 0 CBADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2C[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246914303 825730329 /nfs/dbraw/zinc/73/03/29/825730329.db2.gz BZQPSFSKLRLYEB-BJDJZHNGSA-N 2 1 267.373 -0.038 20 0 CBADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246914315 825730367 /nfs/dbraw/zinc/73/03/67/825730367.db2.gz BZQPSFSKLRLYEB-RHYQMDGZSA-N 2 1 267.373 -0.038 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N(C)[C@@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246914602 825731146 /nfs/dbraw/zinc/73/11/46/825731146.db2.gz SWFKNUIIXGDPOU-MDZLAQPJSA-N 2 1 255.362 -0.036 20 0 CBADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246921253 825731390 /nfs/dbraw/zinc/73/13/90/825731390.db2.gz OGXBQQWFMJSGPD-CYBMUJFWSA-N 4 1 297.447 -0.756 20 0 CBADMP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246921253 825731394 /nfs/dbraw/zinc/73/13/94/825731394.db2.gz OGXBQQWFMJSGPD-CYBMUJFWSA-N 3 1 297.447 -0.756 20 0 CBADMP CCOC(=O)CN(CCC[NH3+])[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246924406 825731412 /nfs/dbraw/zinc/73/14/12/825731412.db2.gz SANWAKVPCUUURY-MNOVXSKESA-N 2 1 287.360 -0.896 20 0 CBADMP CC(=O)N(C)[C@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246920228 825731765 /nfs/dbraw/zinc/73/17/65/825731765.db2.gz DCJWEIYOWHVNGN-STQMWFEESA-N 2 1 266.389 -0.367 20 0 CBADMP CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246920222 825731863 /nfs/dbraw/zinc/73/18/63/825731863.db2.gz DCJWEIYOWHVNGN-CHWSQXEVSA-N 2 1 266.389 -0.367 20 0 CBADMP CC[N@@H+](CCC(=O)OC)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246926131 825732692 /nfs/dbraw/zinc/73/26/92/825732692.db2.gz RLHARBNFVBVVPJ-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP CCCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)[C@H]1CC[NH2+]C1 ZINC001246932407 825734589 /nfs/dbraw/zinc/73/45/89/825734589.db2.gz AHHMGMUXFYLKGV-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP CCN(C[C@H]1CC[NH2+]C1)[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246935358 825734595 /nfs/dbraw/zinc/73/45/95/825734595.db2.gz HHQKXDPLIPSQGY-TUAOUCFPSA-N 2 1 255.362 -0.179 20 0 CBADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1N ZINC001246931342 825734646 /nfs/dbraw/zinc/73/46/46/825734646.db2.gz NVEAAGAXAUVHRS-IIRVCBMXSA-N 2 1 253.346 -0.584 20 0 CBADMP CC(C)(O)CC[NH+]1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246942879 825735784 /nfs/dbraw/zinc/73/57/84/825735784.db2.gz RHBNGRLIYQVVNO-AWEZNQCLSA-N 2 1 296.459 -0.141 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C)CCN1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246947089 825736209 /nfs/dbraw/zinc/73/62/09/825736209.db2.gz UVIGUAIVAGXZPW-SRVKXCTJSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C)CCN1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246947089 825736217 /nfs/dbraw/zinc/73/62/17/825736217.db2.gz UVIGUAIVAGXZPW-SRVKXCTJSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246985868 825739531 /nfs/dbraw/zinc/73/95/31/825739531.db2.gz LEODHSUPEVRXJT-MJBXVCDLSA-N 3 1 298.431 -0.495 20 0 CBADMP COC(=O)[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12CC2 ZINC001246991864 825740721 /nfs/dbraw/zinc/74/07/21/825740721.db2.gz DAHIXLXDCGOTCD-NWDGAFQWSA-N 2 1 279.384 -0.035 20 0 CBADMP COC(=O)CC[C@H]1COCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246998057 825741131 /nfs/dbraw/zinc/74/11/31/825741131.db2.gz DLWOQHXJONWAEE-OLZOCXBDSA-N 2 1 297.399 -0.266 20 0 CBADMP COC(=O)CC[C@H]1COCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246998057 825741133 /nfs/dbraw/zinc/74/11/33/825741133.db2.gz DLWOQHXJONWAEE-OLZOCXBDSA-N 2 1 297.399 -0.266 20 0 CBADMP CC(=O)[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001247002743 825742425 /nfs/dbraw/zinc/74/24/25/825742425.db2.gz LFFBJRGFBZUFMB-RYUDHWBXSA-N 2 1 253.346 -0.630 20 0 CBADMP CC(=O)[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001247002743 825742427 /nfs/dbraw/zinc/74/24/27/825742427.db2.gz LFFBJRGFBZUFMB-RYUDHWBXSA-N 2 1 253.346 -0.630 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)C2 ZINC001251035841 825767890 /nfs/dbraw/zinc/76/78/90/825767890.db2.gz PKKVMDMJUCIHFQ-XGUBFFRZSA-N 2 1 283.416 -0.106 20 0 CBADMP COC(=O)[C@H](O)C[N@@H+]1CCc2nc(C)[nH]c2CC1 ZINC001252415376 825843273 /nfs/dbraw/zinc/84/32/73/825843273.db2.gz MVYDDZYOGLGTLI-LLVKDONJSA-N 2 1 253.302 -0.347 20 0 CBADMP COC(=O)[C@H](O)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001252420232 825847729 /nfs/dbraw/zinc/84/77/29/825847729.db2.gz LJKBIZWQSMGRFT-GFCCVEGCSA-N 2 1 273.377 -0.910 20 0 CBADMP CCC[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)C(=O)OC)C[C@@H]2C1 ZINC001252423134 825851639 /nfs/dbraw/zinc/85/16/39/825851639.db2.gz OXEGMOJRNRASIM-GRYCIOLGSA-N 2 1 256.346 -0.206 20 0 CBADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)C(=O)OC)C[C@@H]2C1 ZINC001252423134 825851643 /nfs/dbraw/zinc/85/16/43/825851643.db2.gz OXEGMOJRNRASIM-GRYCIOLGSA-N 2 1 256.346 -0.206 20 0 CBADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)C(=O)OC)C[C@@H]2C1 ZINC001252423134 825851646 /nfs/dbraw/zinc/85/16/46/825851646.db2.gz OXEGMOJRNRASIM-GRYCIOLGSA-N 2 1 256.346 -0.206 20 0 CBADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)C(=O)OC)C[C@@H]2C1 ZINC001252423134 825851651 /nfs/dbraw/zinc/85/16/51/825851651.db2.gz OXEGMOJRNRASIM-GRYCIOLGSA-N 2 1 256.346 -0.206 20 0 CBADMP C[N@H+](CCO)CCC[NH2+]C[C@H](O)C(=O)OC(C)(C)C ZINC001253713574 825928637 /nfs/dbraw/zinc/92/86/37/825928637.db2.gz FTMZGQFHHPJZDH-NSHDSACASA-N 2 1 276.377 -0.407 20 0 CBADMP C[N@@H+](CCO)CCC[NH2+]C[C@H](O)C(=O)OC(C)(C)C ZINC001253713574 825928644 /nfs/dbraw/zinc/92/86/44/825928644.db2.gz FTMZGQFHHPJZDH-NSHDSACASA-N 2 1 276.377 -0.407 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001253175359 825902108 /nfs/dbraw/zinc/90/21/08/825902108.db2.gz JCKBREMDNPETIU-NSHDSACASA-N 2 1 258.366 -0.696 20 0 CBADMP CCN(CC)C[C@@H](O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC001253209123 825905824 /nfs/dbraw/zinc/90/58/24/825905824.db2.gz XWLVLVQTHHTHPY-HNNXBMFYSA-N 2 1 287.448 -0.017 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[NH2+]CCN1CC2(COC2)C1 ZINC001253210850 825906575 /nfs/dbraw/zinc/90/65/75/825906575.db2.gz PFZMNPHFVXMQOR-CYBMUJFWSA-N 2 1 271.405 -0.389 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)CNCC[N@H+]1CCC[C@@H](O)C1 ZINC001253407136 825914245 /nfs/dbraw/zinc/91/42/45/825914245.db2.gz FKOFTZWZOCPCEM-OLZOCXBDSA-N 2 1 273.421 -0.218 20 0 CBADMP CCOC(=O)C[C@H](O)C[NH2+]C1CC[NH+](CCO)CC1 ZINC001253809054 825932005 /nfs/dbraw/zinc/93/20/05/825932005.db2.gz QWDNICHGMUYHPN-LBPRGKRZSA-N 2 1 274.361 -0.653 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCCOC1 ZINC001254363835 825957419 /nfs/dbraw/zinc/95/74/19/825957419.db2.gz IXPZPNCZVBWSSF-ZJUUUORDSA-N 2 1 272.349 -0.440 20 0 CBADMP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CCC[N@@H+](C)CC1 ZINC001254504032 825963642 /nfs/dbraw/zinc/96/36/42/825963642.db2.gz RLWPQOPUODHGAT-NEPJUHHUSA-N 2 1 299.419 -0.135 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCC[N@H+](C)CC1 ZINC001254504032 825963648 /nfs/dbraw/zinc/96/36/48/825963648.db2.gz RLWPQOPUODHGAT-NEPJUHHUSA-N 3 1 299.419 -0.135 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCC[N@@H+](C)CC1 ZINC001254504032 825963655 /nfs/dbraw/zinc/96/36/55/825963655.db2.gz RLWPQOPUODHGAT-NEPJUHHUSA-N 3 1 299.419 -0.135 20 0 CBADMP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1)C(N)=O ZINC001254515515 825965411 /nfs/dbraw/zinc/96/54/11/825965411.db2.gz XGJCVTLFESAXIZ-GARJFASQSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1)C(N)=O ZINC001254515515 825965414 /nfs/dbraw/zinc/96/54/14/825965414.db2.gz XGJCVTLFESAXIZ-GARJFASQSA-N 2 1 270.377 -0.561 20 0 CBADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001255941997 825996127 /nfs/dbraw/zinc/99/61/27/825996127.db2.gz AUKLVFGUSMSMJI-MRTXSQPYSA-N 2 1 274.405 -0.201 20 0 CBADMP CC[NH+](CC)CC[C@H](C)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001255953918 825996404 /nfs/dbraw/zinc/99/64/04/825996404.db2.gz WPXQINFKAYIXSI-ZDEQEGDKSA-N 2 1 270.425 -0.901 20 0 CBADMP CC[NH+](CC)CC[C@H](C)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001255953916 825996810 /nfs/dbraw/zinc/99/68/10/825996810.db2.gz WPXQINFKAYIXSI-QNWHQSFQSA-N 2 1 270.425 -0.901 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C2CCN(C=O)CC2)CC1 ZINC001256026528 825999702 /nfs/dbraw/zinc/99/97/02/825999702.db2.gz UECQEQRPVJPGTQ-UHFFFAOYSA-N 2 1 282.388 -0.639 20 0 CBADMP C[NH+]1CCC([NH2+]CCOCCN2C(=O)C=CC2=O)CC1 ZINC001256198606 826003595 /nfs/dbraw/zinc/00/35/95/826003595.db2.gz PLLQNZLUSSCDJU-UHFFFAOYSA-N 2 1 281.356 -0.388 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1CC[NH+](C)CC1 ZINC001256195330 826004518 /nfs/dbraw/zinc/00/45/18/826004518.db2.gz MIXOEARHIKALDF-NSHDSACASA-N 3 1 285.392 -0.525 20 0 CBADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001256561487 826026097 /nfs/dbraw/zinc/02/60/97/826026097.db2.gz IBYMDCYMPHPLKW-ZRJCITRHSA-N 2 1 286.416 -0.059 20 0 CBADMP COC(=O)[C@@H](C[NH3+])CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256615759 826028298 /nfs/dbraw/zinc/02/82/98/826028298.db2.gz UHHRFPXBMUPYBV-YEJSDXFRSA-N 2 1 255.362 -0.051 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)NCC[N@@H+](C)CCOC ZINC001261376640 826509242 /nfs/dbraw/zinc/50/92/42/826509242.db2.gz UVRYHDRDPJXNGL-NSHDSACASA-N 2 1 260.382 -0.138 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001261380787 826509335 /nfs/dbraw/zinc/50/93/35/826509335.db2.gz REIAVYSCUYTQHP-NEPJUHHUSA-N 2 1 286.420 -0.053 20 0 CBADMP C[C@@H](C(=O)N1CC[C@](C)(C[NH3+])C1)N1CC[NH+](C)CC1 ZINC001261495111 826526014 /nfs/dbraw/zinc/52/60/14/826526014.db2.gz SOWDWPBYYGSIMB-GXTWGEPZSA-N 2 1 268.405 -0.180 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC001261501678 826527962 /nfs/dbraw/zinc/52/79/62/826527962.db2.gz JRLFHPJZVRWYRL-CYBMUJFWSA-N 2 1 268.405 -0.179 20 0 CBADMP NC(=O)Cn1cc(C[NH+]2CCC(CC[NH3+])CC2)nn1 ZINC001261506521 826528710 /nfs/dbraw/zinc/52/87/10/826528710.db2.gz VKYHXMWJYFGSHP-UHFFFAOYSA-N 2 1 266.349 -0.676 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC001261636123 826551606 /nfs/dbraw/zinc/55/16/06/826551606.db2.gz ZJCLHPGPVCKUEK-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC001262034649 826627057 /nfs/dbraw/zinc/62/70/57/826627057.db2.gz KJVYIAFDEVPPMZ-WOPDTQHZSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC001262117649 826638655 /nfs/dbraw/zinc/63/86/55/826638655.db2.gz UUOANFMMKRCTRW-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC001262117649 826638659 /nfs/dbraw/zinc/63/86/59/826638659.db2.gz UUOANFMMKRCTRW-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCCN(CCC[NH2+]CCS(C)(=O)=O)CC1 ZINC001262563897 826709783 /nfs/dbraw/zinc/70/97/83/826709783.db2.gz RSOYYRUZGSZFIM-UHFFFAOYSA-N 2 1 277.434 -0.352 20 0 CBADMP [NH3+]CC[C@H]1CCN(C(=O)NCC(F)(F)C[NH3+])C1 ZINC001262585523 826714077 /nfs/dbraw/zinc/71/40/77/826714077.db2.gz DXDXEMGDDQQQHC-QMMMGPOBSA-N 2 1 250.293 -0.039 20 0 CBADMP COCC[NH+]1CCN(C(=O)NCC2([NH3+])CC2)CC1 ZINC001262598223 826716942 /nfs/dbraw/zinc/71/69/42/826716942.db2.gz MLEFBMBLFBLOOU-UHFFFAOYSA-N 2 1 256.350 -0.549 20 0 CBADMP C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001262604172 826717155 /nfs/dbraw/zinc/71/71/55/826717155.db2.gz IRSVBXIMAIIDQN-ZDUSSCGKSA-N 2 1 269.389 -0.241 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001262604172 826717158 /nfs/dbraw/zinc/71/71/58/826717158.db2.gz IRSVBXIMAIIDQN-ZDUSSCGKSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+](C)C1(CNC(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001262628598 826720091 /nfs/dbraw/zinc/72/00/91/826720091.db2.gz ABKWADSQLRHJKN-UHFFFAOYSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[NH+]3CCC2CC3)C1 ZINC001262639034 826720755 /nfs/dbraw/zinc/72/07/55/826720755.db2.gz QHZKWFBVUQIFJL-STQMWFEESA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[NH+]3CCC2CC3)C1 ZINC001262639034 826720757 /nfs/dbraw/zinc/72/07/57/826720757.db2.gz QHZKWFBVUQIFJL-STQMWFEESA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccnc(N)n1 ZINC001262699608 826723596 /nfs/dbraw/zinc/72/35/96/826723596.db2.gz GCCVBMWPBMRDNG-VHSXEESVSA-N 2 1 251.334 -0.050 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC[C@@H]1[NH3+] ZINC001263063469 826732179 /nfs/dbraw/zinc/73/21/79/826732179.db2.gz VYYOTDNMXJKYCE-NDBYEHHHSA-N 2 1 266.389 -0.430 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC[C@H]1[NH3+] ZINC001263063471 826732199 /nfs/dbraw/zinc/73/21/99/826732199.db2.gz VYYOTDNMXJKYCE-XQHKEYJVSA-N 2 1 266.389 -0.430 20 0 CBADMP C[C@H](CNC(=O)C[C@@H](O)C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC001263095470 826737243 /nfs/dbraw/zinc/73/72/43/826737243.db2.gz MXOWNSDSXQCPFK-IJLUTSLNSA-N 2 1 257.378 -0.067 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CCN2C)C[N@H+]1C1CC1 ZINC001263103420 826738737 /nfs/dbraw/zinc/73/87/37/826738737.db2.gz YRSNUVMDKNAONG-MDZLAQPJSA-N 2 1 266.389 -0.369 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N3CC[NH2+]C[C@H]3C)cc2C[NH2+]1 ZINC001263104894 826738749 /nfs/dbraw/zinc/73/87/49/826738749.db2.gz XHKCMVUJRWWSLS-NXEZZACHSA-N 2 1 263.345 -0.191 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N(C)CCC[NH3+])cc2C[NH2+]1 ZINC001263144193 826744169 /nfs/dbraw/zinc/74/41/69/826744169.db2.gz BIJAAJUAOZHNIN-VIFPVBQESA-N 2 1 251.334 -0.204 20 0 CBADMP [NH3+]CCNCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001263153422 826745404 /nfs/dbraw/zinc/74/54/04/826745404.db2.gz LZDNTTOSIDFUSB-VXGBXAGGSA-N 2 1 254.378 -0.332 20 0 CBADMP [NH3+]Cc1nc(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)cs1 ZINC001263155815 826745486 /nfs/dbraw/zinc/74/54/86/826745486.db2.gz GLOQGTWNJMCXEY-ZETCQYMHSA-N 2 1 268.342 -0.538 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001263187744 826751411 /nfs/dbraw/zinc/75/14/11/826751411.db2.gz WSZPSDHXTHEYLU-VDDIYKPWSA-N 2 1 263.345 -0.288 20 0 CBADMP C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCc1cncn1C ZINC001263858094 826786385 /nfs/dbraw/zinc/78/63/85/826786385.db2.gz VXJQUJMKHFSKJW-ZYHUDNBSSA-N 2 1 263.345 -0.575 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCO)C2)C1 ZINC001264417048 826809452 /nfs/dbraw/zinc/80/94/52/826809452.db2.gz LYIUUYQSORWKCS-JHJVBQTASA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCO)C2)C1 ZINC001264417048 826809465 /nfs/dbraw/zinc/80/94/65/826809465.db2.gz LYIUUYQSORWKCS-JHJVBQTASA-N 2 1 285.388 -0.816 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001264441002 826811722 /nfs/dbraw/zinc/81/17/22/826811722.db2.gz UIQZMBJEXMIXFE-HAQNSBGRSA-N 2 1 257.378 -0.197 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC(N)=O ZINC001265000699 826829767 /nfs/dbraw/zinc/82/97/67/826829767.db2.gz BFWPLKYWTRPTLQ-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)CC(N)=O ZINC001265000699 826829775 /nfs/dbraw/zinc/82/97/75/826829775.db2.gz BFWPLKYWTRPTLQ-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)CC(N)=O ZINC001265000699 826829781 /nfs/dbraw/zinc/82/97/81/826829781.db2.gz BFWPLKYWTRPTLQ-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C1)[NH+](C)C ZINC001265312046 826879671 /nfs/dbraw/zinc/87/96/71/826879671.db2.gz GGPWXMSCGPJFCX-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001265363429 826886930 /nfs/dbraw/zinc/88/69/30/826886930.db2.gz BSMOCTDQYUHQMU-GFCCVEGCSA-N 2 1 266.345 -0.332 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]CCCO)C2CC2)C1 ZINC001265380498 826887536 /nfs/dbraw/zinc/88/75/36/826887536.db2.gz OCGCWCPASCRTIG-OLZOCXBDSA-N 2 1 269.389 -0.195 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]CCCO)C2CC2)C1 ZINC001265380501 826888470 /nfs/dbraw/zinc/88/84/70/826888470.db2.gz OCGCWCPASCRTIG-STQMWFEESA-N 2 1 269.389 -0.195 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCO)C2)C1 ZINC001265507051 826900631 /nfs/dbraw/zinc/90/06/31/826900631.db2.gz DQPVIVXZUBNKHQ-IJLUTSLNSA-N 2 1 255.362 -0.443 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001265852565 826930154 /nfs/dbraw/zinc/93/01/54/826930154.db2.gz FVYHGDLXTFBUIH-VHSXEESVSA-N 2 1 258.366 -0.704 20 0 CBADMP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001265866327 826931718 /nfs/dbraw/zinc/93/17/18/826931718.db2.gz PDSUEBVYEBIPDV-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CCOCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001265867338 826932295 /nfs/dbraw/zinc/93/22/95/826932295.db2.gz OFTGYCCAHMLZIW-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001265867338 826932300 /nfs/dbraw/zinc/93/23/00/826932300.db2.gz OFTGYCCAHMLZIW-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCCNC(=O)CC[NH+](C)C)C1=O ZINC001265917050 826938801 /nfs/dbraw/zinc/93/88/01/826938801.db2.gz AIGCSSCJSVFYGJ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[N@H+](CCO)CCCNC(=O)CC[NH+]1CCOCC1 ZINC001265938667 826940346 /nfs/dbraw/zinc/94/03/46/826940346.db2.gz GVQAHSYXADRXMI-UHFFFAOYSA-N 2 1 273.377 -0.861 20 0 CBADMP C[N@@H+](CCO)CCCNC(=O)CC[NH+]1CCOCC1 ZINC001265938667 826940353 /nfs/dbraw/zinc/94/03/53/826940353.db2.gz GVQAHSYXADRXMI-UHFFFAOYSA-N 2 1 273.377 -0.861 20 0 CBADMP CC[C@@H](C(=O)NCCC[N@@H+](C)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001265954971 826942219 /nfs/dbraw/zinc/94/22/19/826942219.db2.gz YYJAYYJVBGWEMP-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001265956493 826942441 /nfs/dbraw/zinc/94/24/41/826942441.db2.gz PDSUEBVYEBIPDV-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP C[N@@H+](CCCNC(=O)C[NH+]1CCCC1)CC(=O)N1CCC1 ZINC001265974727 826945153 /nfs/dbraw/zinc/94/51/53/826945153.db2.gz ZEHKQKCQLXFDSD-UHFFFAOYSA-N 2 1 296.415 -0.247 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001266174779 826959202 /nfs/dbraw/zinc/95/92/02/826959202.db2.gz UFFSNIBRHRHEPC-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001266174779 826959208 /nfs/dbraw/zinc/95/92/08/826959208.db2.gz UFFSNIBRHRHEPC-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266174779 826959213 /nfs/dbraw/zinc/95/92/13/826959213.db2.gz UFFSNIBRHRHEPC-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCO)C1)[NH+](C)C ZINC001266246714 826963370 /nfs/dbraw/zinc/96/33/70/826963370.db2.gz VLNDGVIWABDKOK-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266275167 826969417 /nfs/dbraw/zinc/96/94/17/826969417.db2.gz PIFMHBHKZLBOEH-AAEUAGOBSA-N 2 1 269.389 -0.243 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCOC)C2)C1 ZINC001266358181 826989398 /nfs/dbraw/zinc/98/93/98/826989398.db2.gz AKLZAIIVWYSKOW-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCOC)C2)C1 ZINC001266358181 826989409 /nfs/dbraw/zinc/98/94/09/826989409.db2.gz AKLZAIIVWYSKOW-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCCOC)C2)C1 ZINC001266358181 826989416 /nfs/dbraw/zinc/98/94/16/826989416.db2.gz AKLZAIIVWYSKOW-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCCOC)C2)C1 ZINC001266358181 826989424 /nfs/dbraw/zinc/98/94/24/826989424.db2.gz AKLZAIIVWYSKOW-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCO)C1CC1 ZINC001266414516 826997527 /nfs/dbraw/zinc/99/75/27/826997527.db2.gz DIXKWKUNISJCEQ-STQMWFEESA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001266808588 827070883 /nfs/dbraw/zinc/07/08/83/827070883.db2.gz KQKCPVQSODUPBW-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CNC(=O)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266979252 827101986 /nfs/dbraw/zinc/10/19/86/827101986.db2.gz AWTBBKWHKSBXSI-LLVKDONJSA-N 2 1 270.377 -0.878 20 0 CBADMP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267072239 827112561 /nfs/dbraw/zinc/11/25/61/827112561.db2.gz WLTZFZWZOWTUJP-LLVKDONJSA-N 2 1 270.377 -0.878 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@@H+](C)CCn1cccn1 ZINC001267215027 827131002 /nfs/dbraw/zinc/13/10/02/827131002.db2.gz GDDALSWSUXEFAU-UHFFFAOYSA-N 2 1 267.377 -0.117 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](CCO)C1CC1)[NH+](C)C ZINC001267332870 827150301 /nfs/dbraw/zinc/15/03/01/827150301.db2.gz LVDRROOTNKSZOC-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001267354877 827156190 /nfs/dbraw/zinc/15/61/90/827156190.db2.gz AUPBPBQMJPMRQM-QWRGUYRKSA-N 2 1 268.361 -0.983 20 0 CBADMP CN(C)C(=O)C[NH2+]CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001267384104 827163458 /nfs/dbraw/zinc/16/34/58/827163458.db2.gz MDCPACGIGVMBBT-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H](O)CCC[NH+]1CC(NC(=O)CC[NH+](C)C)C1 ZINC001267659460 827192276 /nfs/dbraw/zinc/19/22/76/827192276.db2.gz UDPSCICZIHUDTB-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](O)CCC[NH+]1CC(NC(=O)CC[NH+](C)C)C1 ZINC001267659462 827192343 /nfs/dbraw/zinc/19/23/43/827192343.db2.gz UDPSCICZIHUDTB-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC2C[NH+](CCO)C2)C1 ZINC001267695561 827201846 /nfs/dbraw/zinc/20/18/46/827201846.db2.gz ACEOQBHECIAROY-LLVKDONJSA-N 2 1 255.362 -0.632 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCOCCO)C1 ZINC001267727511 827208651 /nfs/dbraw/zinc/20/86/51/827208651.db2.gz QCPWVZRQEPZZKV-ZDUSSCGKSA-N 2 1 296.371 -0.609 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001267727511 827208660 /nfs/dbraw/zinc/20/86/60/827208660.db2.gz QCPWVZRQEPZZKV-ZDUSSCGKSA-N 2 1 296.371 -0.609 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCO)C1 ZINC001267732803 827209962 /nfs/dbraw/zinc/20/99/62/827209962.db2.gz OYBQWCVNLUJYOD-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001267732803 827209974 /nfs/dbraw/zinc/20/99/74/827209974.db2.gz OYBQWCVNLUJYOD-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001267732803 827209982 /nfs/dbraw/zinc/20/99/82/827209982.db2.gz OYBQWCVNLUJYOD-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP COCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267758450 827215681 /nfs/dbraw/zinc/21/56/81/827215681.db2.gz BOIFCUANGOHZQI-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267758450 827215692 /nfs/dbraw/zinc/21/56/92/827215692.db2.gz BOIFCUANGOHZQI-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001267758450 827215701 /nfs/dbraw/zinc/21/57/01/827215701.db2.gz BOIFCUANGOHZQI-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001267758450 827215712 /nfs/dbraw/zinc/21/57/12/827215712.db2.gz BOIFCUANGOHZQI-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001267899711 827231599 /nfs/dbraw/zinc/23/15/99/827231599.db2.gz OFYCFEJXZLZOTJ-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CCOCCO)C2)C1 ZINC001268151206 827258675 /nfs/dbraw/zinc/25/86/75/827258675.db2.gz PFNZFYGDFORMMB-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CCOCCO)C2)C1 ZINC001268151206 827258678 /nfs/dbraw/zinc/25/86/78/827258678.db2.gz PFNZFYGDFORMMB-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCOCCO)C2)C1 ZINC001268151206 827258681 /nfs/dbraw/zinc/25/86/81/827258681.db2.gz PFNZFYGDFORMMB-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CCOCCO)C2)C1 ZINC001268235768 827265000 /nfs/dbraw/zinc/26/50/00/827265000.db2.gz PFNZFYGDFORMMB-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CCOCCO)C2)C1 ZINC001268235768 827265004 /nfs/dbraw/zinc/26/50/04/827265004.db2.gz PFNZFYGDFORMMB-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCOCCO)C2)C1 ZINC001268235768 827265007 /nfs/dbraw/zinc/26/50/07/827265007.db2.gz PFNZFYGDFORMMB-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268320905 827298491 /nfs/dbraw/zinc/29/84/91/827298491.db2.gz QAWKRGQMYRERJL-RWMBFGLXSA-N 2 1 287.404 -0.570 20 0 CBADMP C[C@@H](CC[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268390242 827320766 /nfs/dbraw/zinc/32/07/66/827320766.db2.gz AHMOQIJMDXHAJG-NWDGAFQWSA-N 2 1 294.403 -0.106 20 0 CBADMP CCN(CC[NH2+]C[C@H](C)OC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268442342 827330408 /nfs/dbraw/zinc/33/04/08/827330408.db2.gz BIMVWCLUYKPUQZ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CCN(CC[NH2+]C[C@H](C)OC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268442342 827330416 /nfs/dbraw/zinc/33/04/16/827330416.db2.gz BIMVWCLUYKPUQZ-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CCN(CC[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268439367 827330951 /nfs/dbraw/zinc/33/09/51/827330951.db2.gz OHAFDKJEVYGRSM-CYBMUJFWSA-N 2 1 294.403 -0.153 20 0 CBADMP CCN(CC[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001268439367 827330959 /nfs/dbraw/zinc/33/09/59/827330959.db2.gz OHAFDKJEVYGRSM-CYBMUJFWSA-N 2 1 294.403 -0.153 20 0 CBADMP CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268442314 827331019 /nfs/dbraw/zinc/33/10/19/827331019.db2.gz BGVTZDNOPHXDAK-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268442314 827331023 /nfs/dbraw/zinc/33/10/23/827331023.db2.gz BGVTZDNOPHXDAK-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)Cn1c[nH+]cc1C ZINC001268465385 827335895 /nfs/dbraw/zinc/33/58/95/827335895.db2.gz AKEVNDMAXNPPRP-UHFFFAOYSA-N 2 1 295.387 -0.282 20 0 CBADMP C[C@@H](O)CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001268484660 827339538 /nfs/dbraw/zinc/33/95/38/827339538.db2.gz KIPAPPPULDWCHZ-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H](O)CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001268484660 827339548 /nfs/dbraw/zinc/33/95/48/827339548.db2.gz KIPAPPPULDWCHZ-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268518943 827351032 /nfs/dbraw/zinc/35/10/32/827351032.db2.gz AYYYTJBNQVWADO-QMAVJUDZSA-N 2 1 255.362 -0.013 20 0 CBADMP CC(C)[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268518943 827351044 /nfs/dbraw/zinc/35/10/44/827351044.db2.gz AYYYTJBNQVWADO-QMAVJUDZSA-N 2 1 255.362 -0.013 20 0 CBADMP COCCC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268519799 827353619 /nfs/dbraw/zinc/35/36/19/827353619.db2.gz GCTVTBSRSGATLM-DHCBQETCSA-N 2 1 285.388 -0.385 20 0 CBADMP COCCC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268519799 827353630 /nfs/dbraw/zinc/35/36/30/827353630.db2.gz GCTVTBSRSGATLM-DHCBQETCSA-N 2 1 285.388 -0.385 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001268559880 827365034 /nfs/dbraw/zinc/36/50/34/827365034.db2.gz IMAMSQWGGACUCU-DHCBQETCSA-N 2 1 296.415 -0.146 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC/C=C\C[NH2+]CCO ZINC001268567406 827366199 /nfs/dbraw/zinc/36/61/99/827366199.db2.gz IRDXUYGCPSGEBF-IHWYPQMZSA-N 2 1 252.318 -0.554 20 0 CBADMP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001268572570 827367915 /nfs/dbraw/zinc/36/79/15/827367915.db2.gz BPUOUVINAMTKPB-NTQVKLLNSA-N 2 1 296.415 -0.181 20 0 CBADMP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001268584262 827370624 /nfs/dbraw/zinc/37/06/24/827370624.db2.gz XXVPNBFHXFDAEZ-BJBSMMKKSA-N 2 1 296.415 -0.148 20 0 CBADMP CC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001268579981 827370802 /nfs/dbraw/zinc/37/08/02/827370802.db2.gz UTFGTWXRSJWXBH-IBPBTGAJSA-N 2 1 296.415 -0.003 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+]CCO)C1 ZINC001268590904 827373954 /nfs/dbraw/zinc/37/39/54/827373954.db2.gz KRKLVGFRYYTPHU-QAVQXKDTSA-N 2 1 255.362 -0.418 20 0 CBADMP Cn1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001268625176 827382932 /nfs/dbraw/zinc/38/29/32/827382932.db2.gz FIXFHNRIYOQDEX-PCAWENJQSA-N 2 1 292.387 -0.471 20 0 CBADMP Cn1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001268625176 827382934 /nfs/dbraw/zinc/38/29/34/827382934.db2.gz FIXFHNRIYOQDEX-PCAWENJQSA-N 2 1 292.387 -0.471 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)CC[NH+](C)C ZINC001268699742 827405834 /nfs/dbraw/zinc/40/58/34/827405834.db2.gz BCSTVDLUIPHGTI-JTQLQIEISA-N 2 1 268.365 -0.639 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001268758130 827418269 /nfs/dbraw/zinc/41/82/69/827418269.db2.gz BCQCIBFUMDXCKQ-JTQLQIEISA-N 2 1 258.366 -0.752 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001268758130 827418275 /nfs/dbraw/zinc/41/82/75/827418275.db2.gz BCQCIBFUMDXCKQ-JTQLQIEISA-N 2 1 258.366 -0.752 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC(N)=O ZINC001268758130 827418277 /nfs/dbraw/zinc/41/82/77/827418277.db2.gz BCQCIBFUMDXCKQ-JTQLQIEISA-N 2 1 258.366 -0.752 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O ZINC001268758130 827418283 /nfs/dbraw/zinc/41/82/83/827418283.db2.gz BCQCIBFUMDXCKQ-JTQLQIEISA-N 2 1 258.366 -0.752 20 0 CBADMP CN(CCC[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001268784013 827420997 /nfs/dbraw/zinc/42/09/97/827420997.db2.gz PCBSDOOBMIXKTK-ZDUSSCGKSA-N 2 1 294.403 -0.153 20 0 CBADMP CN(CCC[NH2+]CCO)C(=O)c1cc(C[NH+](C)C)on1 ZINC001268801615 827423956 /nfs/dbraw/zinc/42/39/56/827423956.db2.gz CTPVXOXMTHCXNL-UHFFFAOYSA-N 2 1 284.360 -0.220 20 0 CBADMP CN(CCC[NH2+]Cc1cnnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268945662 827443325 /nfs/dbraw/zinc/44/33/25/827443325.db2.gz GRNAZDZXNXAXFH-GFCCVEGCSA-N 2 1 294.403 -0.295 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001269056798 827457886 /nfs/dbraw/zinc/45/78/86/827457886.db2.gz LTMHDKJBMPAEDL-NSHDSACASA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH2+][C@@]12CC[C@@](NC(=O)C[NH+](CCO)CCO)(C1)CCC2 ZINC001269095313 827462332 /nfs/dbraw/zinc/46/23/32/827462332.db2.gz PUJKMPZCAZRRAO-LSDHHAIUSA-N 2 1 299.415 -0.546 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCF ZINC001269384221 827501564 /nfs/dbraw/zinc/50/15/64/827501564.db2.gz PPRQDSJXHVUNLI-WDEREUQCSA-N 2 1 261.341 -0.229 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCF ZINC001269384221 827501570 /nfs/dbraw/zinc/50/15/70/827501570.db2.gz PPRQDSJXHVUNLI-WDEREUQCSA-N 2 1 261.341 -0.229 20 0 CBADMP CC[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CCO ZINC001269472127 827512880 /nfs/dbraw/zinc/51/28/80/827512880.db2.gz VSULKBZFCOMGKC-NEPJUHHUSA-N 2 1 257.378 -0.195 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CCO)C2)C1 ZINC001269712389 827524931 /nfs/dbraw/zinc/52/49/31/827524931.db2.gz PIEDNEQFMUFEMI-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CCO)C2)C1 ZINC001269712389 827524936 /nfs/dbraw/zinc/52/49/36/827524936.db2.gz PIEDNEQFMUFEMI-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@@H+](CCO)C1 ZINC001270660157 827587459 /nfs/dbraw/zinc/58/74/59/827587459.db2.gz YRERWQHCUPZRKW-ZDUSSCGKSA-N 2 1 255.362 -0.345 20 0 CBADMP C[C@H](C[NH2+]Cc1cnon1)N(C)C(=O)CC[NH+](C)C ZINC001271093076 827621368 /nfs/dbraw/zinc/62/13/68/827621368.db2.gz NFNJDPNSUQFLQZ-SNVBAGLBSA-N 2 1 269.349 -0.042 20 0 CBADMP CCOCC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001271185401 827675230 /nfs/dbraw/zinc/67/52/30/827675230.db2.gz YDVXRSJLWKUSOF-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+]CCO ZINC001271208516 827676306 /nfs/dbraw/zinc/67/63/06/827676306.db2.gz RDXGGQIPJBPCKM-JTQLQIEISA-N 2 1 254.334 -0.380 20 0 CBADMP CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001271192396 827676421 /nfs/dbraw/zinc/67/64/21/827676421.db2.gz LUZZNEFIKSFKLO-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001271192395 827676589 /nfs/dbraw/zinc/67/65/89/827676589.db2.gz LUZZNEFIKSFKLO-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001271221653 827678386 /nfs/dbraw/zinc/67/83/86/827678386.db2.gz YVTHBCQHAHQEJC-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001271221653 827678389 /nfs/dbraw/zinc/67/83/89/827678389.db2.gz YVTHBCQHAHQEJC-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271221653 827678391 /nfs/dbraw/zinc/67/83/91/827678391.db2.gz YVTHBCQHAHQEJC-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCOC1CCC1 ZINC001272381902 827788569 /nfs/dbraw/zinc/78/85/69/827788569.db2.gz XZVOEIJTOQZWEJ-GXTWGEPZSA-N 2 1 299.415 -0.284 20 0 CBADMP CCOCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001272380474 827788596 /nfs/dbraw/zinc/78/85/96/827788596.db2.gz NCGXCSGVGQIPGS-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP COCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001272453515 827800180 /nfs/dbraw/zinc/80/01/80/827800180.db2.gz LFQAAAKXYCZZLY-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]C/C=C\Cl ZINC001272496194 827806808 /nfs/dbraw/zinc/80/68/08/827806808.db2.gz MRTDHLSRIKQGEE-HUPZIKASSA-N 2 1 275.780 -0.100 20 0 CBADMP C[C@@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001272688017 827833470 /nfs/dbraw/zinc/83/34/70/827833470.db2.gz FDAKPBGFCFDFIQ-WCQYABFASA-N 2 1 294.403 -0.106 20 0 CBADMP CN1C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030660 827857433 /nfs/dbraw/zinc/85/74/33/827857433.db2.gz NGUGNGDCSHRTRS-CQSZACIVSA-N 2 1 267.373 -0.081 20 0 CBADMP C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CC[C@@H](O)C1)C2 ZINC001273070165 827859987 /nfs/dbraw/zinc/85/99/87/827859987.db2.gz UALTXLKPLSQYNE-GRYCIOLGSA-N 2 1 253.346 -0.785 20 0 CBADMP C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CC[C@@H](O)C1)C2 ZINC001273070165 827859996 /nfs/dbraw/zinc/85/99/96/827859996.db2.gz UALTXLKPLSQYNE-GRYCIOLGSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001273070165 827860001 /nfs/dbraw/zinc/86/00/01/827860001.db2.gz UALTXLKPLSQYNE-GRYCIOLGSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001273070165 827860006 /nfs/dbraw/zinc/86/00/06/827860006.db2.gz UALTXLKPLSQYNE-GRYCIOLGSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)CC2 ZINC001273070125 827860549 /nfs/dbraw/zinc/86/05/49/827860549.db2.gz SEOBSRUOKOEECE-GFCCVEGCSA-N 2 1 267.373 -0.393 20 0 CBADMP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](O)C1)C2 ZINC001273069597 827861834 /nfs/dbraw/zinc/86/18/34/827861834.db2.gz LEWGVWKRKMEWGE-HIFRSBDPSA-N 2 1 281.400 -0.003 20 0 CBADMP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](O)C1)C2 ZINC001273069597 827861848 /nfs/dbraw/zinc/86/18/48/827861848.db2.gz LEWGVWKRKMEWGE-HIFRSBDPSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001273069597 827861860 /nfs/dbraw/zinc/86/18/60/827861860.db2.gz LEWGVWKRKMEWGE-HIFRSBDPSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001273069597 827861871 /nfs/dbraw/zinc/86/18/71/827861871.db2.gz LEWGVWKRKMEWGE-HIFRSBDPSA-N 2 1 281.400 -0.003 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3[C@@H]2CC[NH+]3C)C1 ZINC001273086048 827863500 /nfs/dbraw/zinc/86/35/00/827863500.db2.gz ZFUROYMJMZRAKN-AVGNSLFASA-N 2 1 295.383 -0.214 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3[C@@H]2CC[NH+]3C)C1 ZINC001273086048 827863511 /nfs/dbraw/zinc/86/35/11/827863511.db2.gz ZFUROYMJMZRAKN-AVGNSLFASA-N 2 1 295.383 -0.214 20 0 CBADMP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3C)C1 ZINC001273086048 827863519 /nfs/dbraw/zinc/86/35/19/827863519.db2.gz ZFUROYMJMZRAKN-AVGNSLFASA-N 2 1 295.383 -0.214 20 0 CBADMP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3C)C1 ZINC001273086048 827863523 /nfs/dbraw/zinc/86/35/23/827863523.db2.gz ZFUROYMJMZRAKN-AVGNSLFASA-N 2 1 295.383 -0.214 20 0 CBADMP C[C@@H](O)C[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001273075912 827863797 /nfs/dbraw/zinc/86/37/97/827863797.db2.gz MVRBBOFDMWSQBW-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001273122992 827867825 /nfs/dbraw/zinc/86/78/25/827867825.db2.gz LVDWGSIJGJGUFS-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001273300622 827887974 /nfs/dbraw/zinc/88/79/74/827887974.db2.gz MLHLLAUGMASPTP-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC3)[C@@H]2C1 ZINC001273363811 827893752 /nfs/dbraw/zinc/89/37/52/827893752.db2.gz PRNZUARSPMVZAF-QWHCGFSZSA-N 2 1 294.399 -0.687 20 0 CBADMP C[N@H+]1CCN(C(=O)CN2CCC2)C[C@]2(CCCC(=O)N2)C1 ZINC001273364007 827895143 /nfs/dbraw/zinc/89/51/43/827895143.db2.gz UFJNLFAOQFABPB-HNNXBMFYSA-N 2 1 294.399 -0.495 20 0 CBADMP CCN(CC[NH2+]CCO)C(=O)C[N@@H+](C)C1CCC1 ZINC001273419789 827900507 /nfs/dbraw/zinc/90/05/07/827900507.db2.gz GVUFNOUNUCBCOE-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP COCC[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273506027 827905357 /nfs/dbraw/zinc/90/53/57/827905357.db2.gz KUPPLDWGEJPDML-OAHLLOKOSA-N 2 1 299.415 -0.255 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273703098 827919867 /nfs/dbraw/zinc/91/98/67/827919867.db2.gz CDCAQERSDDSROJ-IUODEOHRSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273703098 827919872 /nfs/dbraw/zinc/91/98/72/827919872.db2.gz CDCAQERSDDSROJ-IUODEOHRSA-N 2 1 296.415 -0.121 20 0 CBADMP CC(=O)NCC[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273999482 827951416 /nfs/dbraw/zinc/95/14/16/827951416.db2.gz LHQGMNFVUJYUFD-HNNXBMFYSA-N 2 1 296.415 -0.392 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1(C[NH2+]CCO)CCOCC1 ZINC001274020615 827953971 /nfs/dbraw/zinc/95/39/71/827953971.db2.gz DKQMFHJNBAFUGH-UHFFFAOYSA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274045835 827955795 /nfs/dbraw/zinc/95/57/95/827955795.db2.gz ABUICSFZDHGUBH-WFASDCNBSA-N 2 1 297.399 -0.230 20 0 CBADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001274061593 827961882 /nfs/dbraw/zinc/96/18/82/827961882.db2.gz FPIANPHPOAEPJP-GHMZBOCLSA-N 2 1 268.361 -0.901 20 0 CBADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001274061593 827961888 /nfs/dbraw/zinc/96/18/88/827961888.db2.gz FPIANPHPOAEPJP-GHMZBOCLSA-N 2 1 268.361 -0.901 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274073448 827967162 /nfs/dbraw/zinc/96/71/62/827967162.db2.gz MOFKCRIISHVTPF-CQSZACIVSA-N 2 1 282.388 -0.639 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274073448 827967163 /nfs/dbraw/zinc/96/71/63/827967163.db2.gz MOFKCRIISHVTPF-CQSZACIVSA-N 2 1 282.388 -0.639 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+][C@H]2CCNC2=O)C1 ZINC001274367975 827985400 /nfs/dbraw/zinc/98/54/00/827985400.db2.gz IAGTZOJRXUQBDW-XDYXTIEYSA-N 2 1 294.399 -0.521 20 0 CBADMP CNC(=O)C[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001274498641 827995334 /nfs/dbraw/zinc/99/53/34/827995334.db2.gz PNKSMYBZLBFHOO-MVZIDQBPSA-N 2 1 282.388 -0.664 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274643342 828017321 /nfs/dbraw/zinc/01/73/21/828017321.db2.gz OIKWDQQBRJAEJO-ZFWWWQNUSA-N 2 1 299.415 -0.520 20 0 CBADMP COCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001274939835 828044566 /nfs/dbraw/zinc/04/45/66/828044566.db2.gz QOCXTRKHDPXDBZ-OKILXGFUSA-N 2 1 271.405 -0.031 20 0 CBADMP COC(=O)CCC[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001275158550 828062891 /nfs/dbraw/zinc/06/28/91/828062891.db2.gz LDORRGXAXRSZRJ-OKILXGFUSA-N 2 1 299.415 -0.114 20 0 CBADMP COC(=O)CCC[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001275158550 828062900 /nfs/dbraw/zinc/06/29/00/828062900.db2.gz LDORRGXAXRSZRJ-OKILXGFUSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](C[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001275188189 828065254 /nfs/dbraw/zinc/06/52/54/828065254.db2.gz NDRNAUXDEXMHBM-BFHYXJOUSA-N 2 1 280.416 -0.167 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001275200142 828067326 /nfs/dbraw/zinc/06/73/26/828067326.db2.gz ZIWKVQXYYHNPAC-STQMWFEESA-N 2 1 268.405 -0.215 20 0 CBADMP C[NH+](C)CCN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001276463183 828147026 /nfs/dbraw/zinc/14/70/26/828147026.db2.gz DENHLCFHJOIAKP-CHWSQXEVSA-N 2 1 280.416 -0.310 20 0 CBADMP CN(C)CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001276463183 828147029 /nfs/dbraw/zinc/14/70/29/828147029.db2.gz DENHLCFHJOIAKP-CHWSQXEVSA-N 2 1 280.416 -0.310 20 0 CBADMP CN(C)CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001276463183 828147031 /nfs/dbraw/zinc/14/70/31/828147031.db2.gz DENHLCFHJOIAKP-CHWSQXEVSA-N 2 1 280.416 -0.310 20 0 CBADMP COC(C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12)OC ZINC001276641807 828154259 /nfs/dbraw/zinc/15/42/59/828154259.db2.gz BSHMPSPEKQZMGW-RYUDHWBXSA-N 2 1 297.399 -0.253 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC001276713705 828156430 /nfs/dbraw/zinc/15/64/30/828156430.db2.gz KLTMNHYVSAZUBJ-IYBDPMFKSA-N 3 1 296.459 -0.067 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC001276713705 828156434 /nfs/dbraw/zinc/15/64/34/828156434.db2.gz KLTMNHYVSAZUBJ-IYBDPMFKSA-N 3 1 296.459 -0.067 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCOCCO)C1 ZINC001276946911 828167632 /nfs/dbraw/zinc/16/76/32/828167632.db2.gz OSUIUNQBUJMRBU-MGPQQGTHSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001277141941 828177039 /nfs/dbraw/zinc/17/70/39/828177039.db2.gz ULSGHZVMHRRXKN-VHSXEESVSA-N 2 1 268.361 -0.807 20 0 CBADMP CCOCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001277252591 828180922 /nfs/dbraw/zinc/18/09/22/828180922.db2.gz LQSJHPXQAVQGNW-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP CCOCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001277252591 828180924 /nfs/dbraw/zinc/18/09/24/828180924.db2.gz LQSJHPXQAVQGNW-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001277299118 828181803 /nfs/dbraw/zinc/18/18/03/828181803.db2.gz MJNACKCGTNLZPG-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H]1Cc2nnc(C(N)=O)n2CC[N@H+]1CC1CC[NH2+]CC1 ZINC001277822198 828212305 /nfs/dbraw/zinc/21/23/05/828212305.db2.gz RTCQZZBJELCRRB-JTQLQIEISA-N 2 1 292.387 -0.377 20 0 CBADMP CCOCC[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277859160 828214314 /nfs/dbraw/zinc/21/43/14/828214314.db2.gz UUCXMDZHOCUQIA-OKILXGFUSA-N 2 1 271.405 -0.031 20 0 CBADMP CCOCC[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277859160 828214307 /nfs/dbraw/zinc/21/43/07/828214307.db2.gz UUCXMDZHOCUQIA-OKILXGFUSA-N 2 1 271.405 -0.031 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC(C)(C)CO)C[C@H]21 ZINC001277968557 828224412 /nfs/dbraw/zinc/22/44/12/828224412.db2.gz VXYLTQHHFQEOHF-KGLIPLIRSA-N 2 1 285.432 -0.049 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001277980639 828225528 /nfs/dbraw/zinc/22/55/28/828225528.db2.gz ARTDBFSZVDZPRM-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCCC2(CC[NH+](CC(N)=O)CC2)C1 ZINC001277981604 828226137 /nfs/dbraw/zinc/22/61/37/828226137.db2.gz MHMTVWKACVOURU-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCCC2(CC[NH+](CC(N)=O)CC2)C1 ZINC001277981604 828226140 /nfs/dbraw/zinc/22/61/40/828226140.db2.gz MHMTVWKACVOURU-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCO)C1 ZINC001277997672 828229725 /nfs/dbraw/zinc/22/97/25/828229725.db2.gz QAZYITQWXNUHMV-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CCC2(C[NH+](CC(=O)N(C)C)C2)CC1 ZINC001278027874 828231845 /nfs/dbraw/zinc/23/18/45/828231845.db2.gz HXBKANOELXTXOK-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001278029713 828233213 /nfs/dbraw/zinc/23/32/13/828233213.db2.gz UGRBFBFUEBIZQH-SRVKXCTJSA-N 2 1 294.399 -0.608 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001278029713 828233216 /nfs/dbraw/zinc/23/32/16/828233216.db2.gz UGRBFBFUEBIZQH-SRVKXCTJSA-N 2 1 294.399 -0.608 20 0 CBADMP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001278823346 828293236 /nfs/dbraw/zinc/29/32/36/828293236.db2.gz YMJOEWIJJLWECC-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001278823346 828293237 /nfs/dbraw/zinc/29/32/37/828293237.db2.gz YMJOEWIJJLWECC-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278823346 828293239 /nfs/dbraw/zinc/29/32/39/828293239.db2.gz YMJOEWIJJLWECC-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001278828932 828293441 /nfs/dbraw/zinc/29/34/41/828293441.db2.gz RJMNJCMBBIQSIU-CYBMUJFWSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001278828932 828293444 /nfs/dbraw/zinc/29/34/44/828293444.db2.gz RJMNJCMBBIQSIU-CYBMUJFWSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001278828932 828293448 /nfs/dbraw/zinc/29/34/48/828293448.db2.gz RJMNJCMBBIQSIU-CYBMUJFWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCCC(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001278900468 828307066 /nfs/dbraw/zinc/30/70/66/828307066.db2.gz SWUUYKSNTQDUAY-UHFFFAOYSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+](CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1)C1CC1 ZINC001347430408 890462854 /nfs/dbraw/zinc/46/28/54/890462854.db2.gz XMGHYTPCHJEPQV-CQSZACIVSA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[NH+](C)CC(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001350069794 890930842 /nfs/dbraw/zinc/93/08/42/890930842.db2.gz QRLJXYSLDYNZTI-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CC(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001350069794 890930851 /nfs/dbraw/zinc/93/08/51/890930851.db2.gz QRLJXYSLDYNZTI-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[NH+](C)CCNC(=S)N1CC[NH+](CCCO)CC1 ZINC001249830434 884797936 /nfs/dbraw/zinc/79/79/36/884797936.db2.gz OOHLEWKJCBPGRQ-UHFFFAOYSA-N 2 1 274.434 -0.578 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCCF ZINC001325990441 884866726 /nfs/dbraw/zinc/86/67/26/884866726.db2.gz RPLTUHNHXXSQIX-GFCCVEGCSA-N 2 1 275.368 -0.149 20 0 CBADMP Cn1cc(C[N@@H+](C)C2CC[NH2+]CC2)c(=O)n(C)c1=O ZINC001326187900 884939643 /nfs/dbraw/zinc/93/96/43/884939643.db2.gz MWMLCSVCIPKQNC-UHFFFAOYSA-N 2 1 266.345 -0.732 20 0 CBADMP CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001326967878 885208147 /nfs/dbraw/zinc/20/81/47/885208147.db2.gz SSQQQDCWQFFVEL-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001326967878 885208164 /nfs/dbraw/zinc/20/81/64/885208164.db2.gz SSQQQDCWQFFVEL-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP C([C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327560944 885408506 /nfs/dbraw/zinc/40/85/06/885408506.db2.gz AGHACMDJCMAFDL-OLZOCXBDSA-N 2 1 255.362 -0.619 20 0 CBADMP COC[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001327913769 885523244 /nfs/dbraw/zinc/52/32/44/885523244.db2.gz RQAHFWSTJLZTMJ-CHWSQXEVSA-N 2 1 258.362 -0.475 20 0 CBADMP COC[C@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001327913769 885523255 /nfs/dbraw/zinc/52/32/55/885523255.db2.gz RQAHFWSTJLZTMJ-CHWSQXEVSA-N 2 1 258.362 -0.475 20 0 CBADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC001329480962 886086185 /nfs/dbraw/zinc/08/61/85/886086185.db2.gz KTUZIIWFZGJFTK-QJPTWQEYSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)N1CC[NH2+]CC1 ZINC001329497861 886096715 /nfs/dbraw/zinc/09/67/15/886096715.db2.gz AAEHZBAUTDLCJD-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP C[NH+](CCO)CCOCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001331101981 886674479 /nfs/dbraw/zinc/67/44/79/886674479.db2.gz COXZCRLJVOFZRU-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[NH+]1CCN(CCCCNC(=O)[C@H](C[NH3+])OC)CC1 ZINC001331321842 886777209 /nfs/dbraw/zinc/77/72/09/886777209.db2.gz BQFCBARZAMTOMC-ZDUSSCGKSA-N 2 1 286.420 -0.506 20 0 CBADMP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CCO ZINC001331617134 886867795 /nfs/dbraw/zinc/86/77/95/886867795.db2.gz SGGSMCCKENQGPR-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP CC(C)=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001331687032 886907451 /nfs/dbraw/zinc/90/74/51/886907451.db2.gz YKPYEDUWHNFKOF-STQMWFEESA-N 2 1 285.388 -0.650 20 0 CBADMP CC(C)=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001331687032 886907462 /nfs/dbraw/zinc/90/74/62/886907462.db2.gz YKPYEDUWHNFKOF-STQMWFEESA-N 2 1 285.388 -0.650 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CCC1C[NH2+]C1 ZINC001331708053 886924311 /nfs/dbraw/zinc/92/43/11/886924311.db2.gz QNYGSVFWSVLXPF-LBPRGKRZSA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC001331959378 887063920 /nfs/dbraw/zinc/06/39/20/887063920.db2.gz ZDRMGBXSWZZTCT-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)C1 ZINC001332333501 887209811 /nfs/dbraw/zinc/20/98/11/887209811.db2.gz CBUFNOLOXZGZDF-LVEVGFFFSA-N 2 1 253.346 -0.563 20 0 CBADMP CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@@H]2C1 ZINC001332364684 887229286 /nfs/dbraw/zinc/22/92/86/887229286.db2.gz ONXVWKUJIHNFMV-PPCPHDFISA-N 2 1 253.346 -0.753 20 0 CBADMP COCC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001332567310 887357908 /nfs/dbraw/zinc/35/79/08/887357908.db2.gz UOKQGRLDRLXOMJ-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCOC1 ZINC001333039433 887507948 /nfs/dbraw/zinc/50/79/48/887507948.db2.gz BHNIDNBMCAYRIN-GFCCVEGCSA-N 2 1 270.377 -0.141 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCOC3(CCOCC3)C2)C1 ZINC001333530090 887676860 /nfs/dbraw/zinc/67/68/60/887676860.db2.gz RHKDCKCMCIUARB-SRVKXCTJSA-N 2 1 256.346 -0.282 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC001333626598 887724015 /nfs/dbraw/zinc/72/40/15/887724015.db2.gz SLZYBTJMQHGCGD-VHSXEESVSA-N 2 1 270.377 -0.561 20 0 CBADMP CS(=O)(=O)N1CC(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001334551341 888261966 /nfs/dbraw/zinc/26/19/66/888261966.db2.gz JFZKHGNRVUNVDF-PHIMTYICSA-N 2 1 259.375 -0.971 20 0 CBADMP CS(=O)(=O)N1CC(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001334551341 888261975 /nfs/dbraw/zinc/26/19/75/888261975.db2.gz JFZKHGNRVUNVDF-PHIMTYICSA-N 2 1 259.375 -0.971 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2C[NH2+]1 ZINC001335264418 888477405 /nfs/dbraw/zinc/47/74/05/888477405.db2.gz NHDDGFKWNDNOOS-UFBFGSQYSA-N 2 1 263.345 -0.158 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001336906160 888916998 /nfs/dbraw/zinc/91/69/98/888916998.db2.gz DIYAJMZNBZTXJE-ZDUSSCGKSA-N 2 1 283.420 -0.325 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001336966045 888936857 /nfs/dbraw/zinc/93/68/57/888936857.db2.gz WAZUEZJLHBTWNP-JFGNBEQYSA-N 2 1 282.388 -0.561 20 0 CBADMP [NH3+]CC1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC(O)C1 ZINC001340044257 889370673 /nfs/dbraw/zinc/37/06/73/889370673.db2.gz ISSFAEBOHDTKTJ-ATJQQHLPSA-N 2 1 267.373 -0.171 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001340478970 889439314 /nfs/dbraw/zinc/43/93/14/889439314.db2.gz VYJSWKQXVJYXFB-QJPTWQEYSA-N 2 1 254.378 -0.654 20 0 CBADMP C[N@@H+](CCc1ccccc1)CC(=O)NC[C@H](O)C[NH3+] ZINC001340754004 889479844 /nfs/dbraw/zinc/47/98/44/889479844.db2.gz JATUARRYAZFUHN-CYBMUJFWSA-N 2 1 265.357 -0.403 20 0 CBADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CC[NH2+]C[C@@H]1CO ZINC001340953928 889522435 /nfs/dbraw/zinc/52/24/35/889522435.db2.gz PHQUZPTTZXIYCT-XQQFMLRXSA-N 2 1 267.373 -0.204 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001341010477 889533991 /nfs/dbraw/zinc/53/39/91/889533991.db2.gz KUQIELJZKCIBEO-WOPDTQHZSA-N 2 1 255.362 -0.321 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001341010477 889534015 /nfs/dbraw/zinc/53/40/15/889534015.db2.gz KUQIELJZKCIBEO-WOPDTQHZSA-N 2 1 255.362 -0.321 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+]C[C@H]2CO)CC[N@H+]1C ZINC001341581408 889625201 /nfs/dbraw/zinc/62/52/01/889625201.db2.gz QQFLBZPYUPBYKC-SDDRHHMPSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001341571260 889622862 /nfs/dbraw/zinc/62/28/62/889622862.db2.gz OAOSOHCJFMUQFF-JSGCOSHPSA-N 2 1 269.389 -0.051 20 0 CBADMP C[C@@]1(C(=O)N2CC[NH+](CC3CC3)CC2)C[C@@H](O)C[NH2+]1 ZINC001341659745 889643136 /nfs/dbraw/zinc/64/31/36/889643136.db2.gz SCNQHEUQVHSCFR-OCCSQVGLSA-N 2 1 267.373 -0.347 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C[C@@H](O)C[NH3+] ZINC001341659732 889643399 /nfs/dbraw/zinc/64/33/99/889643399.db2.gz RQFWICPVUIKKLE-GXSJLCMTSA-N 2 1 254.334 -0.346 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001443587259 912238436 /nfs/dbraw/zinc/23/84/36/912238436.db2.gz DHFGNJZTVAOPHF-LBPRGKRZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001443608826 912239793 /nfs/dbraw/zinc/23/97/93/912239793.db2.gz JYJDMKFKOFVTGN-LLVKDONJSA-N 2 1 270.377 -0.750 20 0 CBADMP CN1CC[C@H]([NH+]2CC(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001443609451 912242185 /nfs/dbraw/zinc/24/21/85/912242185.db2.gz QTSUZNBVUPQKPI-LBPRGKRZSA-N 2 1 282.388 -0.783 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001443810844 912278964 /nfs/dbraw/zinc/27/89/64/912278964.db2.gz GAUUZAGZEKJVFR-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001443810844 912278973 /nfs/dbraw/zinc/27/89/73/912278973.db2.gz GAUUZAGZEKJVFR-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001443836697 912287097 /nfs/dbraw/zinc/28/70/97/912287097.db2.gz VUMQUFUNARLTFV-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001443836697 912287112 /nfs/dbraw/zinc/28/71/12/912287112.db2.gz VUMQUFUNARLTFV-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001443836697 912287124 /nfs/dbraw/zinc/28/71/24/912287124.db2.gz VUMQUFUNARLTFV-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001443836697 912287138 /nfs/dbraw/zinc/28/71/38/912287138.db2.gz VUMQUFUNARLTFV-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001342184072 889726319 /nfs/dbraw/zinc/72/63/19/889726319.db2.gz RCXWEIBRZFNIRK-UHFFFAOYSA-N 2 1 269.389 -0.066 20 0 CBADMP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001342251513 889737567 /nfs/dbraw/zinc/73/75/67/889737567.db2.gz SGWRVCQNYKJODN-JHJVBQTASA-N 2 1 268.405 -0.136 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001443914123 912302622 /nfs/dbraw/zinc/30/26/22/912302622.db2.gz HCRRQXQXBQOGFD-OUAUKWLOSA-N 2 1 270.377 -0.704 20 0 CBADMP CCN(CC[NH3+])C(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001342300803 889750120 /nfs/dbraw/zinc/75/01/20/889750120.db2.gz ZASWFQGQLUATQO-SECBINFHSA-N 2 1 251.334 -0.204 20 0 CBADMP CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+]CC(=O)N(C)C ZINC001443962666 912314303 /nfs/dbraw/zinc/31/43/03/912314303.db2.gz QZQKLXJTINOONR-LBPRGKRZSA-N 2 1 295.387 -0.236 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001342393071 889766539 /nfs/dbraw/zinc/76/65/39/889766539.db2.gz SGBJAHUIZMLJJE-WISYIIOYSA-N 2 1 252.362 -0.772 20 0 CBADMP CC(C)(C[NH3+])CC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342548970 889792894 /nfs/dbraw/zinc/79/28/94/889792894.db2.gz MLPHUBAZTIZSRA-UHFFFAOYSA-N 3 1 256.394 -0.099 20 0 CBADMP [NH3+]CC1(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC(O)C1 ZINC001343392688 889899734 /nfs/dbraw/zinc/89/97/34/889899734.db2.gz RMRQNHPTLGCLQT-QSZRKCJJSA-N 2 1 267.373 -0.171 20 0 CBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C[C@@H](O)C[NH3+])C1 ZINC001343445749 889909746 /nfs/dbraw/zinc/90/97/46/889909746.db2.gz XYKXACOEQJYVDV-QWHCGFSZSA-N 2 1 269.389 -0.114 20 0 CBADMP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001444248768 912400678 /nfs/dbraw/zinc/40/06/78/912400678.db2.gz PLYDIGWLXBUZIU-XQQFMLRXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@H]3C[NH2+]CCO3)[C@H]2C1 ZINC001343592691 889938185 /nfs/dbraw/zinc/93/81/85/889938185.db2.gz QGLAOGLRPZUICZ-FIQHERPVSA-N 2 1 253.346 -0.569 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001343591021 889939442 /nfs/dbraw/zinc/93/94/42/889939442.db2.gz AWBGNSAFTQHRFC-QNWHQSFQSA-N 2 1 268.405 -0.278 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001444717472 912496277 /nfs/dbraw/zinc/49/62/77/912496277.db2.gz HRENLEFYXHKFND-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]([NH2+]CC(N)=O)C(C)C ZINC001444923394 912518005 /nfs/dbraw/zinc/51/80/05/912518005.db2.gz DEKAKTDQLUVZCA-LLVKDONJSA-N 2 1 281.360 -0.593 20 0 CBADMP CO[C@@H](C)C[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001444971934 912530559 /nfs/dbraw/zinc/53/05/59/912530559.db2.gz ZMCQRFRKPDPMQM-QWHCGFSZSA-N 2 1 287.404 -0.258 20 0 CBADMP CO[C@@H](C)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001444971934 912530575 /nfs/dbraw/zinc/53/05/75/912530575.db2.gz ZMCQRFRKPDPMQM-QWHCGFSZSA-N 2 1 287.404 -0.258 20 0 CBADMP CO[C@@H](C)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001444971934 912530582 /nfs/dbraw/zinc/53/05/82/912530582.db2.gz ZMCQRFRKPDPMQM-QWHCGFSZSA-N 2 1 287.404 -0.258 20 0 CBADMP CO[C@@H](C)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001444971934 912530589 /nfs/dbraw/zinc/53/05/89/912530589.db2.gz ZMCQRFRKPDPMQM-QWHCGFSZSA-N 2 1 287.404 -0.258 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001445060484 912548981 /nfs/dbraw/zinc/54/89/81/912548981.db2.gz CADKCBLVODNMSK-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001445060484 912548987 /nfs/dbraw/zinc/54/89/87/912548987.db2.gz CADKCBLVODNMSK-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445060484 912548999 /nfs/dbraw/zinc/54/89/99/912548999.db2.gz CADKCBLVODNMSK-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001445060484 912549012 /nfs/dbraw/zinc/54/90/12/912549012.db2.gz CADKCBLVODNMSK-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)c2cc3n(n2)C[C@H](C)[NH2+]C3)C1 ZINC001346057434 890208506 /nfs/dbraw/zinc/20/85/06/890208506.db2.gz LCUQYYDDQKXHJQ-VHSXEESVSA-N 2 1 263.345 -0.191 20 0 CBADMP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001445144623 912576581 /nfs/dbraw/zinc/57/65/81/912576581.db2.gz BFXJNEVSSUZXSQ-OLZOCXBDSA-N 2 1 295.387 -0.919 20 0 CBADMP C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)[C@H]1CN(C)CCN1C ZINC001346228505 890241073 /nfs/dbraw/zinc/24/10/73/890241073.db2.gz KCGQSCPQNMIFFW-WCFLWFBJSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001346228505 890241086 /nfs/dbraw/zinc/24/10/86/890241086.db2.gz KCGQSCPQNMIFFW-WCFLWFBJSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001346228505 890241104 /nfs/dbraw/zinc/24/11/04/890241104.db2.gz KCGQSCPQNMIFFW-WCFLWFBJSA-N 2 1 268.405 -0.136 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC2CCCC2)C1 ZINC001445149753 912581281 /nfs/dbraw/zinc/58/12/81/912581281.db2.gz DHZZNQRVPWWBRJ-KGLIPLIRSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC2CCCC2)C1 ZINC001445149753 912581295 /nfs/dbraw/zinc/58/12/95/912581295.db2.gz DHZZNQRVPWWBRJ-KGLIPLIRSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H](NC(=O)CC1([NH3+])CC1)[C@@H]1CN(C)CCN1C ZINC001346228796 890241934 /nfs/dbraw/zinc/24/19/34/890241934.db2.gz MFYPAIMCXMAMTJ-MNOVXSKESA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@@H](NC(=O)CC1([NH3+])CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346228796 890241948 /nfs/dbraw/zinc/24/19/48/890241948.db2.gz MFYPAIMCXMAMTJ-MNOVXSKESA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@@H](NC(=O)CC1([NH3+])CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001346228796 890241960 /nfs/dbraw/zinc/24/19/60/890241960.db2.gz MFYPAIMCXMAMTJ-MNOVXSKESA-N 2 1 254.378 -0.382 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001346419522 890288307 /nfs/dbraw/zinc/28/83/07/890288307.db2.gz ROEDQRKVIMNSSL-TXEJJXNPSA-N 2 1 254.378 -0.380 20 0 CBADMP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001445432203 912666301 /nfs/dbraw/zinc/66/63/01/912666301.db2.gz AJLOLQGEWASAKS-MNOVXSKESA-N 2 1 286.420 -0.068 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445646670 912723160 /nfs/dbraw/zinc/72/31/60/912723160.db2.gz HNPIFGAUDJHTBX-QWRGUYRKSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445646670 912723171 /nfs/dbraw/zinc/72/31/71/912723171.db2.gz HNPIFGAUDJHTBX-QWRGUYRKSA-N 2 1 280.376 -0.639 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445650423 912724443 /nfs/dbraw/zinc/72/44/43/912724443.db2.gz VWCXAJFXCOKBEW-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445646673 912725285 /nfs/dbraw/zinc/72/52/85/912725285.db2.gz HNPIFGAUDJHTBX-WDEREUQCSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445646673 912725298 /nfs/dbraw/zinc/72/52/98/912725298.db2.gz HNPIFGAUDJHTBX-WDEREUQCSA-N 2 1 280.376 -0.639 20 0 CBADMP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001445646624 912725416 /nfs/dbraw/zinc/72/54/16/912725416.db2.gz LAXGDXOAGFVCAK-JQWIXIFHSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001445864979 912775508 /nfs/dbraw/zinc/77/55/08/912775508.db2.gz DZOTWUJOEFNFPM-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001445864979 912775518 /nfs/dbraw/zinc/77/55/18/912775518.db2.gz DZOTWUJOEFNFPM-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001445932614 912781065 /nfs/dbraw/zinc/78/10/65/912781065.db2.gz GGZYCCCEEGGUMA-RYUDHWBXSA-N 2 1 282.388 -0.689 20 0 CBADMP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)CC1 ZINC001090604411 884646529 /nfs/dbraw/zinc/64/65/29/884646529.db2.gz BVRTXXOJYUYEFP-UONOGXRCSA-N 2 1 299.415 -0.738 20 0 CBADMP CN1CC[C@H]([NH2+]CCNC(=O)CCc2cnc[nH]2)C1=O ZINC001128972472 884668751 /nfs/dbraw/zinc/66/87/51/884668751.db2.gz BXNYGCXDBJZTQQ-NSHDSACASA-N 2 1 279.344 -0.721 20 0 CBADMP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176564085 884704322 /nfs/dbraw/zinc/70/43/22/884704322.db2.gz LCWOURBHWRVETD-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001188145949 884722184 /nfs/dbraw/zinc/72/21/84/884722184.db2.gz SINVUURELUXETH-CYBMUJFWSA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001210788637 884766298 /nfs/dbraw/zinc/76/62/98/884766298.db2.gz HAFDMLBVEZQBCH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371766 884771777 /nfs/dbraw/zinc/77/17/77/884771777.db2.gz VFUQSUUYPGYITP-JHJVBQTASA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371766 884771793 /nfs/dbraw/zinc/77/17/93/884771793.db2.gz VFUQSUUYPGYITP-JHJVBQTASA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211371766 884771809 /nfs/dbraw/zinc/77/18/09/884771809.db2.gz VFUQSUUYPGYITP-JHJVBQTASA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211371766 884771821 /nfs/dbraw/zinc/77/18/21/884771821.db2.gz VFUQSUUYPGYITP-JHJVBQTASA-N 2 1 298.431 -0.102 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211369162 884772676 /nfs/dbraw/zinc/77/26/76/884772676.db2.gz CKVSOGXTAWHUFN-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211369162 884772683 /nfs/dbraw/zinc/77/26/83/884772683.db2.gz CKVSOGXTAWHUFN-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211369162 884772687 /nfs/dbraw/zinc/77/26/87/884772687.db2.gz CKVSOGXTAWHUFN-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211369162 884772702 /nfs/dbraw/zinc/77/27/02/884772702.db2.gz CKVSOGXTAWHUFN-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP [NH3+]CCC[C@H]([NH3+])C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219793171 884792707 /nfs/dbraw/zinc/79/27/07/884792707.db2.gz AYTCTCJXCGFERM-AWEZNQCLSA-N 3 1 297.447 -0.615 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC001326027484 884874163 /nfs/dbraw/zinc/87/41/63/884874163.db2.gz TUPAHYWHCZHDEI-LLVKDONJSA-N 2 1 280.376 -0.302 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)c1cnn(C)c1 ZINC001326287122 884971905 /nfs/dbraw/zinc/97/19/05/884971905.db2.gz IFQRZDJEXVZBJH-WCQGTBRESA-N 2 1 265.361 -0.063 20 0 CBADMP C[N@@H+](CCNS(C)(=O)=O)CCC1CC[NH2+]CC1 ZINC001326309567 884980745 /nfs/dbraw/zinc/98/07/45/884980745.db2.gz NTMNSQOLGCQEGZ-UHFFFAOYSA-N 2 1 263.407 -0.143 20 0 CBADMP [NH3+]C[C@H]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1 ZINC001326360697 885005328 /nfs/dbraw/zinc/00/53/28/885005328.db2.gz ABCNSBGSLXHLSN-NXEZZACHSA-N 2 1 263.345 -0.093 20 0 CBADMP C[C@@H](CNC(=O)C1([NH3+])CC1)CN1CC[NH+](C)CC1 ZINC001326409505 885019894 /nfs/dbraw/zinc/01/98/94/885019894.db2.gz ZAJGQXKKMHSRRV-NSHDSACASA-N 2 1 254.378 -0.523 20 0 CBADMP C[NH2+]C[C@](C)(O)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001326487303 885045863 /nfs/dbraw/zinc/04/58/63/885045863.db2.gz LLQMYIJLCNXCEJ-GJZGRUSLSA-N 2 1 284.448 -0.331 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC[C@@H]1[NH3+] ZINC001326501405 885049400 /nfs/dbraw/zinc/04/94/00/885049400.db2.gz DYNOBXYBQZMPKM-UPJWGTAASA-N 3 1 268.405 -0.147 20 0 CBADMP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1 ZINC001326596798 885080015 /nfs/dbraw/zinc/08/00/15/885080015.db2.gz NWCRZZFUWUEBDI-ZBFHGGJFSA-N 3 1 296.459 -0.165 20 0 CBADMP C[C@@H]([NH2+]C[C@H](O)CN1CCN(C)CC1)C1=CC[N@H+](C)CC1 ZINC001326596798 885080026 /nfs/dbraw/zinc/08/00/26/885080026.db2.gz NWCRZZFUWUEBDI-ZBFHGGJFSA-N 2 1 296.459 -0.165 20 0 CBADMP C[C@@H]([NH2+]C[C@H](O)CN1CCN(C)CC1)C1=CC[N@@H+](C)CC1 ZINC001326596798 885080041 /nfs/dbraw/zinc/08/00/41/885080041.db2.gz NWCRZZFUWUEBDI-ZBFHGGJFSA-N 2 1 296.459 -0.165 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1CCC[NH2+]CC1)c1cnn(C)c1 ZINC001326597877 885080595 /nfs/dbraw/zinc/08/05/95/885080595.db2.gz ISSIODUGVGOSHX-RYUDHWBXSA-N 2 1 265.361 -0.061 20 0 CBADMP C[C@@H](C(=O)NCC1=CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC001326611538 885089525 /nfs/dbraw/zinc/08/95/25/885089525.db2.gz IVRJOVSEGBFVIM-LBPRGKRZSA-N 2 1 266.389 -0.342 20 0 CBADMP C[C@]1(NC(=O)CC[NH+]2CCCCC2)CC[N@H+](CC(N)=O)C1 ZINC001446553317 912906133 /nfs/dbraw/zinc/90/61/33/912906133.db2.gz OKIXZTJLPSRBQM-HNNXBMFYSA-N 2 1 296.415 -0.072 20 0 CBADMP C[C@]1(NC(=O)CC[NH+]2CCCCC2)CC[N@@H+](CC(N)=O)C1 ZINC001446553317 912906144 /nfs/dbraw/zinc/90/61/44/912906144.db2.gz OKIXZTJLPSRBQM-HNNXBMFYSA-N 2 1 296.415 -0.072 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC001327087626 885251094 /nfs/dbraw/zinc/25/10/94/885251094.db2.gz PTZPQIUBZBYMIX-NWDGAFQWSA-N 2 1 256.394 -0.264 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327089757 885251880 /nfs/dbraw/zinc/25/18/80/885251880.db2.gz MSJMNFSQXHMJFA-UHFFFAOYSA-N 2 1 268.361 -0.092 20 0 CBADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H](C)[NH3+])CC1 ZINC001327196763 885285404 /nfs/dbraw/zinc/28/54/04/885285404.db2.gz WJGINCFUQPEGEX-GFCCVEGCSA-N 2 1 256.394 -0.133 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001446702964 912922114 /nfs/dbraw/zinc/92/21/14/912922114.db2.gz VBRWAJOGLJPXPB-STQMWFEESA-N 2 1 299.415 -0.284 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC001327537419 885394720 /nfs/dbraw/zinc/39/47/20/885394720.db2.gz PPCZSNVHMMIELI-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[N@@H+](CCNC(=O)C1=NO[C@H](C[NH3+])C1)C(C)C ZINC001327601151 885425956 /nfs/dbraw/zinc/42/59/56/885425956.db2.gz GZGURCZJSYKWQH-JTQLQIEISA-N 2 1 256.350 -0.064 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]CCO)CCOCC1 ZINC001327651144 885442888 /nfs/dbraw/zinc/44/28/88/885442888.db2.gz WRPAAEMJOWUYEO-ZDUSSCGKSA-N 2 1 299.415 -0.282 20 0 CBADMP OC[C@H]1CCC[N@@H+]1Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001327786265 885477841 /nfs/dbraw/zinc/47/78/41/885477841.db2.gz RCQGGXIFDIBAOP-VXGBXAGGSA-N 2 1 251.334 -0.231 20 0 CBADMP OC[C@H]1CCC[N@H+]1Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001327786265 885477844 /nfs/dbraw/zinc/47/78/44/885477844.db2.gz RCQGGXIFDIBAOP-VXGBXAGGSA-N 2 1 251.334 -0.231 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001328206741 885603269 /nfs/dbraw/zinc/60/32/69/885603269.db2.gz AAWSXRLTWKQFTK-UHFFFAOYSA-N 2 1 287.404 -0.736 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH3+])C1 ZINC001328368028 885657568 /nfs/dbraw/zinc/65/75/68/885657568.db2.gz MGRDGVASZLFLIK-NSHDSACASA-N 2 1 270.377 -0.558 20 0 CBADMP CN(C)C(=O)[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCN1 ZINC001328398343 885668421 /nfs/dbraw/zinc/66/84/21/885668421.db2.gz JICRYUGOCFHOIS-NWDGAFQWSA-N 2 1 254.378 -0.652 20 0 CBADMP CN(C)C(=O)[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCN1 ZINC001328398343 885668435 /nfs/dbraw/zinc/66/84/35/885668435.db2.gz JICRYUGOCFHOIS-NWDGAFQWSA-N 2 1 254.378 -0.652 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[N@H+]1C ZINC001328454284 885694213 /nfs/dbraw/zinc/69/42/13/885694213.db2.gz DXAWABSEIGFXCO-WISYIIOYSA-N 2 1 255.362 -0.051 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC001328524394 885715907 /nfs/dbraw/zinc/71/59/07/885715907.db2.gz JKYOEAKKCKRVSX-AVGNSLFASA-N 2 1 267.373 -0.083 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001328773729 885809859 /nfs/dbraw/zinc/80/98/59/885809859.db2.gz XAJINDRGHDJKPH-STQMWFEESA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CCO)C2)CC[N@H+]1C ZINC001328859597 885832748 /nfs/dbraw/zinc/83/27/48/885832748.db2.gz RVDRZGPWKHBQHO-IKWCTNDRSA-N 2 1 269.389 -0.197 20 0 CBADMP CN1CC[NH+](C2CCN(CCN3CC[NH2+]CC3)CC2)CC1 ZINC001329315527 886010510 /nfs/dbraw/zinc/01/05/10/886010510.db2.gz IEKDONJQUCGBMH-UHFFFAOYSA-N 2 1 295.475 -0.397 20 0 CBADMP C[C@H](C(=O)N1CCC(C[NH3+])CC1)N1CC[NH+](C)CC1 ZINC001329483265 886090458 /nfs/dbraw/zinc/09/04/58/886090458.db2.gz PXORGNIQJQVNGZ-GFCCVEGCSA-N 2 1 268.405 -0.180 20 0 CBADMP C[C@@H]1CN(CC(=O)N2CC[NH2+]CC2)[C@@H](C)C[N@H+]1C ZINC001329497846 886097436 /nfs/dbraw/zinc/09/74/36/886097436.db2.gz AAEHZBAUTDLCJD-NEPJUHHUSA-N 2 1 254.378 -0.557 20 0 CBADMP Cc1[nH+]ccn1Cc1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC001329693113 886175950 /nfs/dbraw/zinc/17/59/50/886175950.db2.gz QZUKPNJWODIPOI-GFCCVEGCSA-N 2 1 262.317 -0.180 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC001329702332 886181774 /nfs/dbraw/zinc/18/17/74/886181774.db2.gz PABXPKCQKWQBTI-MNOVXSKESA-N 3 1 280.338 -0.039 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC001329702332 886181775 /nfs/dbraw/zinc/18/17/75/886181775.db2.gz PABXPKCQKWQBTI-MNOVXSKESA-N 3 1 280.338 -0.039 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)C1 ZINC001329703287 886181790 /nfs/dbraw/zinc/18/17/90/886181790.db2.gz LKPIBIGJNIMQKF-MROQNXINSA-N 2 1 294.399 -0.702 20 0 CBADMP COC[C@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001447061053 913016572 /nfs/dbraw/zinc/01/65/72/913016572.db2.gz VWYMDJTXPGIUKM-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001447061033 913016659 /nfs/dbraw/zinc/01/66/59/913016659.db2.gz VWYMDJTXPGIUKM-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001329843748 886234486 /nfs/dbraw/zinc/23/44/86/886234486.db2.gz RVHBECWIBAHLBN-NWDGAFQWSA-N 2 1 280.372 -0.839 20 0 CBADMP O=C1C[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CN1 ZINC001329942060 886290438 /nfs/dbraw/zinc/29/04/38/886290438.db2.gz VLRWMMSQXBEWPM-AAEUAGOBSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001330024305 886330580 /nfs/dbraw/zinc/33/05/80/886330580.db2.gz PAHRZSDSFFWSOI-IJLUTSLNSA-N 2 1 280.372 -0.793 20 0 CBADMP C[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)n1ccnc1 ZINC001330115283 886362536 /nfs/dbraw/zinc/36/25/36/886362536.db2.gz PTTOIMAPQODDCK-NEPJUHHUSA-N 2 1 293.371 -0.100 20 0 CBADMP Cn1cncc1CCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001330214248 886391083 /nfs/dbraw/zinc/39/10/83/886391083.db2.gz LIIKUFZHTGAERM-LBPRGKRZSA-N 2 1 266.345 -0.465 20 0 CBADMP C[C@H]([NH3+])Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001330288939 886412499 /nfs/dbraw/zinc/41/24/99/886412499.db2.gz BCEMZEXKWVRMET-JTQLQIEISA-N 3 1 252.366 -0.409 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)C1 ZINC001330528718 886470779 /nfs/dbraw/zinc/47/07/79/886470779.db2.gz NWWHMKYGUMKZPK-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)C1 ZINC001330528711 886471199 /nfs/dbraw/zinc/47/11/99/886471199.db2.gz NWWHMKYGUMKZPK-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP CCOCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001330583208 886486425 /nfs/dbraw/zinc/48/64/25/886486425.db2.gz HXDFBGTVMOANRX-MGPQQGTHSA-N 2 1 299.415 -0.162 20 0 CBADMP CCOCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001330583208 886486430 /nfs/dbraw/zinc/48/64/30/886486430.db2.gz HXDFBGTVMOANRX-MGPQQGTHSA-N 2 1 299.415 -0.162 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC001330593023 886492538 /nfs/dbraw/zinc/49/25/38/886492538.db2.gz VXQTXPOJZSRBPA-GFCCVEGCSA-N 2 1 297.403 -0.766 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC1(C[NH3+])CCOCC1 ZINC001330624682 886508320 /nfs/dbraw/zinc/50/83/20/886508320.db2.gz FVLYXTQKSQNNNO-UHFFFAOYSA-N 2 1 252.318 -0.184 20 0 CBADMP C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)C1C[NH2+]C1 ZINC001330796427 886573322 /nfs/dbraw/zinc/57/33/22/886573322.db2.gz ZBALQHYPCLBZDI-GWCFXTLKSA-N 2 1 267.373 -0.036 20 0 CBADMP NC(=O)C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC001330847390 886592768 /nfs/dbraw/zinc/59/27/68/886592768.db2.gz ZSSDALKBPQXZRI-LLVKDONJSA-N 2 1 255.362 -0.048 20 0 CBADMP NC(=O)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC001330847390 886592779 /nfs/dbraw/zinc/59/27/79/886592779.db2.gz ZSSDALKBPQXZRI-LLVKDONJSA-N 2 1 255.362 -0.048 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001330859497 886597657 /nfs/dbraw/zinc/59/76/57/886597657.db2.gz GGHOGYQQOQFUKY-UWVGGRQHSA-N 2 1 256.350 -0.950 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001330869907 886606405 /nfs/dbraw/zinc/60/64/05/886606405.db2.gz JIUODWSNLOUCBL-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP CN(CCC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001447362672 913063709 /nfs/dbraw/zinc/06/37/09/913063709.db2.gz XZSVFHUYFRXCPM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CC[C@@H]1O ZINC001331108849 886675731 /nfs/dbraw/zinc/67/57/31/886675731.db2.gz GSJVPARDRUCTTE-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001331168149 886708670 /nfs/dbraw/zinc/70/86/70/886708670.db2.gz PPKLOLKYLRDFBJ-GRYCIOLGSA-N 2 1 294.399 -0.275 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC001331187629 886719936 /nfs/dbraw/zinc/71/99/36/886719936.db2.gz YXHFWANHDIDBRR-BETUJISGSA-N 2 1 294.399 -0.606 20 0 CBADMP C[NH+](C)CC1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001331205857 886729477 /nfs/dbraw/zinc/72/94/77/886729477.db2.gz SDCQTCLFPYGVAL-UHFFFAOYSA-N 2 1 255.362 -0.271 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001447470158 913086045 /nfs/dbraw/zinc/08/60/45/913086045.db2.gz NLGXKKDMKQBOFV-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CCO ZINC001331617136 886869274 /nfs/dbraw/zinc/86/92/74/886869274.db2.gz SGGSMCCKENQGPR-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331665878 886888202 /nfs/dbraw/zinc/88/82/02/886888202.db2.gz CBOPQFGMHKADBD-JHJVBQTASA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C[NH3+])n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001331856141 887014624 /nfs/dbraw/zinc/01/46/24/887014624.db2.gz BXAKCANFLSKOHH-JTQLQIEISA-N 3 1 252.366 -0.237 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001331957584 887062002 /nfs/dbraw/zinc/06/20/02/887062002.db2.gz LXTUIEHKBRAHNE-XQQFMLRXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CCO)C[C@H]1C ZINC001332051810 887094512 /nfs/dbraw/zinc/09/45/12/887094512.db2.gz UFVPSZZJPCTMJA-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001447773733 913121872 /nfs/dbraw/zinc/12/18/72/913121872.db2.gz PSDIKMZFGAVBII-ZDUSSCGKSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001447773733 913121882 /nfs/dbraw/zinc/12/18/82/913121882.db2.gz PSDIKMZFGAVBII-ZDUSSCGKSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001332318121 887202482 /nfs/dbraw/zinc/20/24/82/887202482.db2.gz KHKCGRASQMWAKZ-IWXRYERYSA-N 2 1 296.371 -0.837 20 0 CBADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001332318121 887202494 /nfs/dbraw/zinc/20/24/94/887202494.db2.gz KHKCGRASQMWAKZ-IWXRYERYSA-N 2 1 296.371 -0.837 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCC1(C)C ZINC001332330411 887205266 /nfs/dbraw/zinc/20/52/66/887205266.db2.gz BOAHHXHKPNRGSH-HAQNSBGRSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001447773731 913123349 /nfs/dbraw/zinc/12/33/49/913123349.db2.gz PSDIKMZFGAVBII-CYBMUJFWSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001447773731 913123357 /nfs/dbraw/zinc/12/33/57/913123357.db2.gz PSDIKMZFGAVBII-CYBMUJFWSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]([NH3+])C1CC[NH+](Cc2cn(CC(N)=O)nn2)CC1 ZINC001332340408 887214917 /nfs/dbraw/zinc/21/49/17/887214917.db2.gz WWDQRBBRQLEBCW-VIFPVBQESA-N 2 1 266.349 -0.677 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001447776391 913124523 /nfs/dbraw/zinc/12/45/23/913124523.db2.gz PLEPRGCLMGQGOE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001447776391 913124531 /nfs/dbraw/zinc/12/45/31/913124531.db2.gz PLEPRGCLMGQGOE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001447776391 913124538 /nfs/dbraw/zinc/12/45/38/913124538.db2.gz PLEPRGCLMGQGOE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001447776391 913124545 /nfs/dbraw/zinc/12/45/45/913124545.db2.gz PLEPRGCLMGQGOE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@@H](C)CCC[NH3+])c1cnn(C)c1 ZINC001332435320 887281118 /nfs/dbraw/zinc/28/11/18/887281118.db2.gz IAIIPGLPTLPZSV-GXSJLCMTSA-N 2 1 253.350 -0.076 20 0 CBADMP CN(C)C(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001447817278 913133673 /nfs/dbraw/zinc/13/36/73/913133673.db2.gz MNDULGAGVQMDSU-OTTFEQOBSA-N 2 1 296.415 -0.489 20 0 CBADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001332815460 887436825 /nfs/dbraw/zinc/43/68/25/887436825.db2.gz IKQYMDVYTSDFPQ-ZIAGYGMSSA-N 3 1 280.416 -0.656 20 0 CBADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001332815454 887438358 /nfs/dbraw/zinc/43/83/58/887438358.db2.gz IKQYMDVYTSDFPQ-KGLIPLIRSA-N 3 1 280.416 -0.656 20 0 CBADMP CCOC(=O)[C@H]1C[NH2+]CCN1CCc1c[nH+]cn1C ZINC001333160458 887547156 /nfs/dbraw/zinc/54/71/56/887547156.db2.gz FEJSOHXCOJMLIH-GFCCVEGCSA-N 2 1 266.345 -0.201 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CCC2C[NH2+]C2)C1 ZINC001333335371 887598290 /nfs/dbraw/zinc/59/82/90/887598290.db2.gz DEJQKYPONBWTPE-ZDUSSCGKSA-N 2 1 296.415 -0.310 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC[N@H+]1C ZINC001333378738 887616635 /nfs/dbraw/zinc/61/66/35/887616635.db2.gz GLLFUEDLEOXWLW-AGIUHOORSA-N 2 1 296.415 -0.075 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001333405554 887625159 /nfs/dbraw/zinc/62/51/59/887625159.db2.gz MSJYKAGOUODFSI-JHJVBQTASA-N 2 1 294.399 -0.560 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCOC3(CCOCC3)C2)C1 ZINC001333530090 887676852 /nfs/dbraw/zinc/67/68/52/887676852.db2.gz RHKDCKCMCIUARB-SRVKXCTJSA-N 2 1 256.346 -0.282 20 0 CBADMP C[C@@H](CO)[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001333621854 887720679 /nfs/dbraw/zinc/72/06/79/887720679.db2.gz IBZCOAYLHBLLCI-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP Cn1nnnc1CCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001333826233 887782442 /nfs/dbraw/zinc/78/24/42/887782442.db2.gz LRDKHIWHUBTQRS-ZDUSSCGKSA-N 2 1 294.403 -0.014 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001448070831 913210191 /nfs/dbraw/zinc/21/01/91/913210191.db2.gz ULJQBMDHKPPXKE-VXGBXAGGSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001448070831 913210203 /nfs/dbraw/zinc/21/02/03/913210203.db2.gz ULJQBMDHKPPXKE-VXGBXAGGSA-N 2 1 286.420 -0.149 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001448086788 913215717 /nfs/dbraw/zinc/21/57/17/913215717.db2.gz OFRSYOSLQOWUGD-QWRGUYRKSA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001448086788 913215736 /nfs/dbraw/zinc/21/57/36/913215736.db2.gz OFRSYOSLQOWUGD-QWRGUYRKSA-N 2 1 272.393 -0.491 20 0 CBADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)CO)CC2)C1 ZINC001334616752 888273137 /nfs/dbraw/zinc/27/31/37/888273137.db2.gz UUVPDXDKEHNLCD-QWHCGFSZSA-N 2 1 257.378 -0.949 20 0 CBADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)CO)CC2)C1 ZINC001334616752 888273153 /nfs/dbraw/zinc/27/31/53/888273153.db2.gz UUVPDXDKEHNLCD-QWHCGFSZSA-N 2 1 257.378 -0.949 20 0 CBADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001334736868 888303131 /nfs/dbraw/zinc/30/31/31/888303131.db2.gz CEEKEMIXVQZEEU-HRCADAONSA-N 2 1 294.443 -0.266 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH+](C)CCOC)C1 ZINC001448145519 913232853 /nfs/dbraw/zinc/23/28/53/913232853.db2.gz IPNXVFOMRWCLET-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH+](C)CCOC)C1 ZINC001448145519 913232873 /nfs/dbraw/zinc/23/28/73/913232873.db2.gz IPNXVFOMRWCLET-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H](C)[N@H+](C)CCOC)C1 ZINC001448145519 913232892 /nfs/dbraw/zinc/23/28/92/913232892.db2.gz IPNXVFOMRWCLET-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCOC)C1 ZINC001448145519 913232910 /nfs/dbraw/zinc/23/29/10/913232910.db2.gz IPNXVFOMRWCLET-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N[C@H](C[NH3+])C3CC3)cc2C[NH2+]1 ZINC001335264416 888476017 /nfs/dbraw/zinc/47/60/17/888476017.db2.gz NHDDGFKWNDNOOS-PRHODGIISA-N 2 1 263.345 -0.158 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001335275525 888481103 /nfs/dbraw/zinc/48/11/03/888481103.db2.gz FHQGCYPIGCTDOI-NSHDSACASA-N 2 1 280.372 -0.709 20 0 CBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCNCC[NH2+]CC1 ZINC001335352889 888514374 /nfs/dbraw/zinc/51/43/74/888514374.db2.gz WERGZPVYOAHINC-CYBMUJFWSA-N 2 1 295.431 -0.325 20 0 CBADMP COC[C@@H](O)C[NH2+]C1CCN(c2[nH+]ccn2C)CC1 ZINC001335500115 888546537 /nfs/dbraw/zinc/54/65/37/888546537.db2.gz LMHCZHXCQYGVRE-LBPRGKRZSA-N 2 1 268.361 -0.014 20 0 CBADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001336095185 888692476 /nfs/dbraw/zinc/69/24/76/888692476.db2.gz LVPXLJAVNFRCFE-OAGGEKHMSA-N 3 1 294.443 -0.266 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2C)C1 ZINC001336224434 888722132 /nfs/dbraw/zinc/72/21/32/888722132.db2.gz PFIXNYRTZHCPKT-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CN1CCO[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2C)C1 ZINC001336224434 888722098 /nfs/dbraw/zinc/72/20/98/888722098.db2.gz PFIXNYRTZHCPKT-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001336224434 888722105 /nfs/dbraw/zinc/72/21/05/888722105.db2.gz PFIXNYRTZHCPKT-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001336224434 888722112 /nfs/dbraw/zinc/72/21/12/888722112.db2.gz PFIXNYRTZHCPKT-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001336756251 888868180 /nfs/dbraw/zinc/86/81/80/888868180.db2.gz USRZKVUIZSUWTF-GFCCVEGCSA-N 2 1 269.393 -0.715 20 0 CBADMP C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001336779111 888877945 /nfs/dbraw/zinc/87/79/45/888877945.db2.gz GSVPRZISMCISTH-KKUMJFAQSA-N 2 1 284.448 -0.333 20 0 CBADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)C2(O)CCCC2)C1 ZINC001336794247 888882855 /nfs/dbraw/zinc/88/28/55/888882855.db2.gz JFGBHWKTPWVVPO-NEPJUHHUSA-N 2 1 258.362 -0.691 20 0 CBADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)C2(O)CCCC2)C1 ZINC001336794247 888882869 /nfs/dbraw/zinc/88/28/69/888882869.db2.gz JFGBHWKTPWVVPO-NEPJUHHUSA-N 2 1 258.362 -0.691 20 0 CBADMP Cn1cnc(CCC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)n1 ZINC001336833567 888894340 /nfs/dbraw/zinc/89/43/40/888894340.db2.gz IXRKRBAVVWBKSJ-GFCCVEGCSA-N 2 1 267.377 -0.208 20 0 CBADMP Cn1cnc(CCC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)n1 ZINC001336833567 888894352 /nfs/dbraw/zinc/89/43/52/888894352.db2.gz IXRKRBAVVWBKSJ-GFCCVEGCSA-N 2 1 267.377 -0.208 20 0 CBADMP Cn1cnc(CCC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)n1 ZINC001336833568 888895202 /nfs/dbraw/zinc/89/52/02/888895202.db2.gz IXRKRBAVVWBKSJ-LBPRGKRZSA-N 2 1 267.377 -0.208 20 0 CBADMP Cn1cnc(CCC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)n1 ZINC001336833568 888895213 /nfs/dbraw/zinc/89/52/13/888895213.db2.gz IXRKRBAVVWBKSJ-LBPRGKRZSA-N 2 1 267.377 -0.208 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1(C)C ZINC001337015475 888950690 /nfs/dbraw/zinc/95/06/90/888950690.db2.gz DSDXQGQZLWCEQI-GHMZBOCLSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001337419678 889005323 /nfs/dbraw/zinc/00/53/23/889005323.db2.gz CVCVBSUXSNXXTB-VWYCJHECSA-N 2 1 280.372 -0.713 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCOCC2)C1 ZINC001338424004 889156880 /nfs/dbraw/zinc/15/68/80/889156880.db2.gz QUIFEJDTRGCSSM-HAQNSBGRSA-N 2 1 270.377 -0.255 20 0 CBADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCNCC[NH2+]CC1 ZINC001338610080 889180621 /nfs/dbraw/zinc/18/06/21/889180621.db2.gz NCVRYUNQYSQSRY-ZDUSSCGKSA-N 2 1 285.436 -0.081 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001448601519 913327319 /nfs/dbraw/zinc/32/73/19/913327319.db2.gz VANKEIZNABCOHJ-LBPRGKRZSA-N 2 1 293.371 -0.497 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC001339708944 889310756 /nfs/dbraw/zinc/31/07/56/889310756.db2.gz JMJYMIIYMNBZGC-UPJWGTAASA-N 2 1 266.389 -0.510 20 0 CBADMP C[C@H](C(=O)Nc1ncccn1)N1CC[NH2+]CC[NH2+]CC1 ZINC001339931952 889345342 /nfs/dbraw/zinc/34/53/42/889345342.db2.gz HEERRNAYJPJXMH-LLVKDONJSA-N 2 1 278.360 -0.702 20 0 CBADMP CC[NH+]1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001340013000 889367077 /nfs/dbraw/zinc/36/70/77/889367077.db2.gz RNXKXIBJCGJSSK-CYBMUJFWSA-N 2 1 255.362 -0.345 20 0 CBADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CO)[C@@H](C)C1 ZINC001340092317 889382387 /nfs/dbraw/zinc/38/23/87/889382387.db2.gz AELYAQICDSRSEP-YNEHKIRRSA-N 2 1 287.404 -0.441 20 0 CBADMP C[NH2+]CCCCC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001340170232 889400996 /nfs/dbraw/zinc/40/09/96/889400996.db2.gz XHLPTSIYLZJUMA-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)CNCC[NH3+])C1 ZINC001340189216 889404329 /nfs/dbraw/zinc/40/43/29/889404329.db2.gz AFEKFAWTNIWRDB-GFCCVEGCSA-N 2 1 256.394 -0.229 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001340206042 889407887 /nfs/dbraw/zinc/40/78/87/889407887.db2.gz OIHNPQMOUODMBI-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH+]1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001340262493 889416764 /nfs/dbraw/zinc/41/67/64/889416764.db2.gz OXBZGBUBZRTQDH-UHFFFAOYSA-N 2 1 266.345 -0.341 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[C@H](O)C[NH3+])C1 ZINC001340356380 889426020 /nfs/dbraw/zinc/42/60/20/889426020.db2.gz BYZSYECQVYPAFD-GRYCIOLGSA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001340749197 889478737 /nfs/dbraw/zinc/47/87/37/889478737.db2.gz RZSYSCCYMPCPKM-IVZWLZJFSA-N 2 1 252.318 -0.448 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH3+])CC(O)C1 ZINC001340773765 889484779 /nfs/dbraw/zinc/48/47/79/889484779.db2.gz KGDIPUXZXVZJRD-XSRFYTQQSA-N 2 1 255.362 -0.313 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340820317 889489229 /nfs/dbraw/zinc/48/92/29/889489229.db2.gz CTVAWQOCHMGHMV-SCRDCRAPSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H](CNC(=O)CNCC[NH3+])[N@H+]1CCCC[C@@H]1C ZINC001340807079 889489680 /nfs/dbraw/zinc/48/96/80/889489680.db2.gz GGCOTDJDROAWBY-RYUDHWBXSA-N 2 1 256.394 -0.086 20 0 CBADMP C[C@H](CNC(=O)CNCC[NH3+])[N@H+]1CCCC[C@@H]1C ZINC001340807078 889490354 /nfs/dbraw/zinc/49/03/54/889490354.db2.gz GGCOTDJDROAWBY-NWDGAFQWSA-N 2 1 256.394 -0.086 20 0 CBADMP C[C@]1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H](O)C[NH2+]1 ZINC001340807113 889490371 /nfs/dbraw/zinc/49/03/71/889490371.db2.gz HHQVVQIDADSSSB-SCDSUCTJSA-N 2 1 267.373 -0.300 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001340820310 889490494 /nfs/dbraw/zinc/49/04/94/889490494.db2.gz CTVAWQOCHMGHMV-OBJOEFQTSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340847155 889497802 /nfs/dbraw/zinc/49/78/02/889497802.db2.gz XRWZAWHCTVHABG-ZDUSSCGKSA-N 2 1 257.378 -0.053 20 0 CBADMP [NH3+]CCNCC(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC001340922534 889516822 /nfs/dbraw/zinc/51/68/22/889516822.db2.gz MNYMLCHLOVXKKN-ZDUSSCGKSA-N 2 1 280.347 -0.153 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001341003325 889528821 /nfs/dbraw/zinc/52/88/21/889528821.db2.gz KFMWJNJZIJUBCY-YNEHKIRRSA-N 2 1 267.373 -0.035 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001448704107 913355770 /nfs/dbraw/zinc/35/57/70/913355770.db2.gz XDUPMLVAIIWFLY-ZYHUDNBSSA-N 2 1 295.387 -0.237 20 0 CBADMP O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1CCC[NH2+]C1 ZINC001341242388 889566052 /nfs/dbraw/zinc/56/60/52/889566052.db2.gz ASXOLADTMYEZNX-GFCCVEGCSA-N 2 1 255.362 -0.441 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001341289239 889570951 /nfs/dbraw/zinc/57/09/51/889570951.db2.gz HMSBJCJYTICOLX-MRVPVSSYSA-N 2 1 263.288 -0.535 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH2+]C1CC1 ZINC001341354088 889580872 /nfs/dbraw/zinc/58/08/72/889580872.db2.gz PTLKCUUZEBZEMY-PWSUYJOCSA-N 2 1 252.362 -0.757 20 0 CBADMP C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CC[NH+](C)CC1 ZINC001341419727 889594627 /nfs/dbraw/zinc/59/46/27/889594627.db2.gz RNTWTHMBNIIVNZ-YVECIDJPSA-N 2 1 266.389 -0.369 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341717262 889652811 /nfs/dbraw/zinc/65/28/11/889652811.db2.gz OVFWAIWRWTZASH-YPMHNXCESA-N 2 1 257.378 -0.053 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001341571261 889622761 /nfs/dbraw/zinc/62/27/61/889622761.db2.gz OAOSOHCJFMUQFF-OCCSQVGLSA-N 2 1 269.389 -0.051 20 0 CBADMP C[NH+]1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CC1 ZINC001341633664 889636769 /nfs/dbraw/zinc/63/67/69/889636769.db2.gz HNDYSIXGJDFVPE-ZDUSSCGKSA-N 2 1 266.345 -0.341 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001341631965 889637403 /nfs/dbraw/zinc/63/74/03/889637403.db2.gz QRMRENMOMSDDMY-OCCSQVGLSA-N 2 1 267.373 -0.033 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001341643738 889639181 /nfs/dbraw/zinc/63/91/81/889639181.db2.gz DJKHAMRFJPHUAW-UHFFFAOYSA-N 2 1 255.362 -0.361 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)[C@@H](C)[C@H](O)C[NH2+]C)CC1 ZINC001341645115 889640789 /nfs/dbraw/zinc/64/07/89/889640789.db2.gz KJIQMMAZUJOPJM-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC001341712075 889652004 /nfs/dbraw/zinc/65/20/04/889652004.db2.gz NNGPSWXOIGCNPV-MNOVXSKESA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC001341712075 889652011 /nfs/dbraw/zinc/65/20/11/889652011.db2.gz NNGPSWXOIGCNPV-MNOVXSKESA-N 2 1 255.362 -0.097 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341717260 889652481 /nfs/dbraw/zinc/65/24/81/889652481.db2.gz OVFWAIWRWTZASH-DGCLKSJQSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C[N@H+]1C1CC1 ZINC001341731088 889654022 /nfs/dbraw/zinc/65/40/22/889654022.db2.gz BDIMJTUIASIKJW-JCRCQARHSA-N 2 1 267.373 -0.159 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C1=CCC[NH2+]CC1 ZINC001341732601 889654843 /nfs/dbraw/zinc/65/48/43/889654843.db2.gz LRHZJADZMQVNQF-ZDUSSCGKSA-N 2 1 266.389 -0.342 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001341748902 889657110 /nfs/dbraw/zinc/65/71/10/889657110.db2.gz UIZQHCPZHABKMC-YVECIDJPSA-N 2 1 266.389 -0.430 20 0 CBADMP C[C@H](C[NH3+])C(=O)NCCCCC[NH+]1CCNCC1 ZINC001341823755 889668532 /nfs/dbraw/zinc/66/85/32/889668532.db2.gz RIPQSWZJVHJUMY-GFCCVEGCSA-N 2 1 256.394 -0.227 20 0 CBADMP C[NH2+]C1(C(=O)NCC[N@@H+]2CCCOCC2)CCC1 ZINC001341861928 889676195 /nfs/dbraw/zinc/67/61/95/889676195.db2.gz UBXWHEUOPBNIEZ-UHFFFAOYSA-N 2 1 255.362 -0.033 20 0 CBADMP C[NH2+]C1(C(=O)NCC[N@H+]2CCCOCC2)CCC1 ZINC001341861928 889676201 /nfs/dbraw/zinc/67/62/01/889676201.db2.gz UBXWHEUOPBNIEZ-UHFFFAOYSA-N 2 1 255.362 -0.033 20 0 CBADMP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001341924221 889684501 /nfs/dbraw/zinc/68/45/01/889684501.db2.gz RQEPUYAMZYUMHA-WUHRBBMRSA-N 2 1 267.373 -0.361 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[NH2+]CC23CC3)C1 ZINC001342099514 889711826 /nfs/dbraw/zinc/71/18/26/889711826.db2.gz MVFKDRPHNPXVRB-QWRGUYRKSA-N 2 1 253.346 -0.425 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[NH2+]CC23CC3)C1 ZINC001342099514 889711835 /nfs/dbraw/zinc/71/18/35/889711835.db2.gz MVFKDRPHNPXVRB-QWRGUYRKSA-N 2 1 253.346 -0.425 20 0 CBADMP 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 889719439 /nfs/dbraw/zinc/71/94/39/889719439.db2.gz KLPSHCPAYNFIQU-HNRZYHPDSA-N 2 1 267.373 -0.444 20 0 CBADMP CN1CCN(C(=O)CC2(C[NH3+])CC2)CC[N@@H+](C)CC1 ZINC001342155959 889722569 /nfs/dbraw/zinc/72/25/69/889722569.db2.gz LUTCOLKCDKSFRP-UHFFFAOYSA-N 2 1 268.405 -0.179 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001342155929 889723687 /nfs/dbraw/zinc/72/36/87/889723687.db2.gz LKFSPJPMLOYZJT-LBPRGKRZSA-N 2 1 256.394 -0.310 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001342155929 889723697 /nfs/dbraw/zinc/72/36/97/889723697.db2.gz LKFSPJPMLOYZJT-LBPRGKRZSA-N 2 1 256.394 -0.310 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001342184709 889726917 /nfs/dbraw/zinc/72/69/17/889726917.db2.gz ZGEROIFIDBAMFG-QCNOEVLYSA-N 2 1 253.346 -0.284 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001342184709 889726923 /nfs/dbraw/zinc/72/69/23/889726923.db2.gz ZGEROIFIDBAMFG-QCNOEVLYSA-N 2 1 253.346 -0.284 20 0 CBADMP C[NH2+]CCOCCNC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001342218378 889733243 /nfs/dbraw/zinc/73/32/43/889733243.db2.gz HSUYKQMUXGLMNA-JTQLQIEISA-N 2 1 281.360 -0.659 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C1(C[NH3+])CC(O)C1 ZINC001342347805 889756449 /nfs/dbraw/zinc/75/64/49/889756449.db2.gz KBONWDNGRMQSIX-CBKZZEEASA-N 2 1 267.373 -0.219 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001342393070 889768522 /nfs/dbraw/zinc/76/85/22/889768522.db2.gz SGBJAHUIZMLJJE-NNYUYHANSA-N 2 1 252.362 -0.772 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N1CCNCC[NH2+]CC1 ZINC001342622995 889805042 /nfs/dbraw/zinc/80/50/42/889805042.db2.gz QEBLBNRSHUWQLV-UHFFFAOYSA-N 2 1 279.388 -0.007 20 0 CBADMP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC001342757667 889824097 /nfs/dbraw/zinc/82/40/97/889824097.db2.gz MNPICZSMPZQHEQ-GRYCIOLGSA-N 2 1 254.378 -0.572 20 0 CBADMP C[C@@H](C(=O)N1CCN(C)CC[N@@H+](C)CC1)[C@H](C)[NH3+] ZINC001342915349 889845257 /nfs/dbraw/zinc/84/52/57/889845257.db2.gz WOXGTJHVMZLJDX-NEPJUHHUSA-N 2 1 256.394 -0.325 20 0 CBADMP CN1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC[N@@H+](C)CC1 ZINC001343026780 889857975 /nfs/dbraw/zinc/85/79/75/889857975.db2.gz WVZMEPOGJAHLBK-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP CN1CCN(C(=O)COC2CC[NH2+]CC2)CC[N@@H+](C)CC1 ZINC001343026744 889858053 /nfs/dbraw/zinc/85/80/53/889858053.db2.gz WNYTYAFYCOYKTO-UHFFFAOYSA-N 2 1 298.431 -0.539 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]([NH3+])CO)Cc1ccccc1 ZINC001343357392 889893204 /nfs/dbraw/zinc/89/32/04/889893204.db2.gz WRUYUZWHHFWHBI-CYBMUJFWSA-N 2 1 265.357 -0.056 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001343373481 889896450 /nfs/dbraw/zinc/89/64/50/889896450.db2.gz DIYPUXBNDNEMGR-YPMHNXCESA-N 2 1 266.345 -0.189 20 0 CBADMP [NH3+]CC1(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC(O)C1 ZINC001343392687 889898415 /nfs/dbraw/zinc/89/84/15/889898415.db2.gz RMRQNHPTLGCLQT-PZFKGIAWSA-N 2 1 267.373 -0.171 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001343407694 889902008 /nfs/dbraw/zinc/90/20/08/889902008.db2.gz JNIKFMHYSOITMC-ZBOXLXRLSA-N 2 1 255.362 -0.456 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001343438469 889908566 /nfs/dbraw/zinc/90/85/66/889908566.db2.gz FZONOHYPXSMXNR-CQSZACIVSA-N 2 1 287.404 -0.425 20 0 CBADMP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001343474682 889915953 /nfs/dbraw/zinc/91/59/53/889915953.db2.gz XLVFXGKPVHQWRV-YVECIDJPSA-N 2 1 267.373 -0.219 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001343568154 889935891 /nfs/dbraw/zinc/93/58/91/889935891.db2.gz WRJKGSHBYMBPTK-SDDRHHMPSA-N 2 1 255.362 -0.348 20 0 CBADMP Cc1cccc(NCCNC(=O)COCC[NH3+])[nH+]1 ZINC001343797754 889966433 /nfs/dbraw/zinc/96/64/33/889966433.db2.gz HNFLQCKWWHAPHM-UHFFFAOYSA-N 2 1 252.318 -0.107 20 0 CBADMP O=C(C[NH+]1CCC(CO)CC1)NCC12CC(C1)C[NH2+]2 ZINC001344057549 889996691 /nfs/dbraw/zinc/99/66/91/889996691.db2.gz IAECZJQTYANVQE-UHFFFAOYSA-N 2 1 267.373 -0.441 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@@H](O)C[NH2+]3)CC[C@@H]21 ZINC001344460026 890029686 /nfs/dbraw/zinc/02/96/86/890029686.db2.gz BVKITMCTXIXWDR-NMKXLXIOSA-N 2 1 267.373 -0.348 20 0 CBADMP C[C@H]1[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@H+]1C ZINC001344876497 890078222 /nfs/dbraw/zinc/07/82/22/890078222.db2.gz GERFNURHPZMPRT-ZPFDUUQYSA-N 2 1 253.346 -0.569 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001345443734 890129248 /nfs/dbraw/zinc/12/92/48/890129248.db2.gz KKBNECGTNNKPAI-SCZZXKLOSA-N 2 1 251.290 -0.959 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001345469051 890132240 /nfs/dbraw/zinc/13/22/40/890132240.db2.gz BCISZHVPULZRIF-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CCN(C(=O)CC2([NH3+])CCC2)CC[N@@H+](C)CC1 ZINC001345454304 890132464 /nfs/dbraw/zinc/13/24/64/890132464.db2.gz VCGLODQOJOEVKM-UHFFFAOYSA-N 2 1 268.405 -0.036 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC(C)(C)[NH+](C)C ZINC001345527877 890137852 /nfs/dbraw/zinc/13/78/52/890137852.db2.gz XRSSYLDUDANKFU-NWDGAFQWSA-N 2 1 268.405 -0.169 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC001345943602 890183500 /nfs/dbraw/zinc/18/35/00/890183500.db2.gz KPUJXDDDKPTJPX-QWHCGFSZSA-N 3 1 268.405 -0.146 20 0 CBADMP CC(C)C[NH2+]CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001346102897 890215956 /nfs/dbraw/zinc/21/59/56/890215956.db2.gz CUUQGUDUXVEPSY-CYBMUJFWSA-N 2 1 298.431 -0.064 20 0 CBADMP C[C@@H](NC(=O)C12CC(C1)C[NH2+]2)[C@H]1C[N@@H+](C)CCN1C ZINC001346229679 890245890 /nfs/dbraw/zinc/24/58/90/890245890.db2.gz WFXIZHMNSNQWAX-KTEZZQQRSA-N 2 1 266.389 -0.511 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H](N)CC[NH+](C)C ZINC001346332419 890271557 /nfs/dbraw/zinc/27/15/57/890271557.db2.gz IDNTUNMVPBSLPF-AWEZNQCLSA-N 2 1 299.463 -0.639 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CC2)C1 ZINC001346339073 890272315 /nfs/dbraw/zinc/27/23/15/890272315.db2.gz JGYNFWHKRASODJ-SNVBAGLBSA-N 2 1 256.350 -0.502 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCNCC[NH2+]CC1 ZINC001346390593 890279829 /nfs/dbraw/zinc/27/98/29/890279829.db2.gz JAMFWZUULZJSQR-GXTWGEPZSA-N 2 1 295.431 -0.327 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])[C@@H]2C1 ZINC001346386001 890282545 /nfs/dbraw/zinc/28/25/45/890282545.db2.gz YXXKEWVMSBNVFB-CKIKVBCHSA-N 2 1 267.373 -0.193 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC(C)(C)C[NH+](C)C ZINC001347033777 890388455 /nfs/dbraw/zinc/38/84/55/890388455.db2.gz CEWXRCRRKUDYEP-VXGBXAGGSA-N 2 1 268.405 -0.169 20 0 CBADMP CC[N@@H+](CC(=O)N1CC[C@](O)(C[NH+](C)C)C1)C1CC1 ZINC001347430407 890462447 /nfs/dbraw/zinc/46/24/47/890462447.db2.gz XMGHYTPCHJEPQV-AWEZNQCLSA-N 2 1 269.389 -0.004 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001348319696 890596187 /nfs/dbraw/zinc/59/61/87/890596187.db2.gz JKBVCJYVWGSZCH-WDEREUQCSA-N 2 1 280.372 -0.935 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)c1 ZINC001448950713 913471899 /nfs/dbraw/zinc/47/18/99/913471899.db2.gz KNOKRBDMDVFFBG-CYBMUJFWSA-N 2 1 297.403 -0.673 20 0 CBADMP CC[C@@H](C(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC001348648034 890671712 /nfs/dbraw/zinc/67/17/12/890671712.db2.gz NWURDEVOPUNGMF-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC001348648032 890672080 /nfs/dbraw/zinc/67/20/80/890672080.db2.gz NWURDEVOPUNGMF-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP Cc1cncn1CC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001348647618 890673223 /nfs/dbraw/zinc/67/32/23/890673223.db2.gz DSDHSCAMECJGIE-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001348647618 890673237 /nfs/dbraw/zinc/67/32/37/890673237.db2.gz DSDHSCAMECJGIE-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP CC[C@H](C(=O)NCCNC(=O)Cn1cc[nH+]c1C)[NH+](C)C ZINC001349032072 890750740 /nfs/dbraw/zinc/75/07/40/890750740.db2.gz LJYLJIJXJVGOJT-GFCCVEGCSA-N 2 1 295.387 -0.236 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC(N)=O)[C@H]1C ZINC001449043576 913488262 /nfs/dbraw/zinc/48/82/62/913488262.db2.gz GTBJPSQYUXHIGI-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC(N)=O)[C@H]1C ZINC001449043576 913488268 /nfs/dbraw/zinc/48/82/68/913488268.db2.gz GTBJPSQYUXHIGI-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC001449043576 913488277 /nfs/dbraw/zinc/48/82/77/913488277.db2.gz GTBJPSQYUXHIGI-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC001449043576 913488283 /nfs/dbraw/zinc/48/82/83/913488283.db2.gz GTBJPSQYUXHIGI-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N1CC[NH+](C)CC1 ZINC001349416948 890808675 /nfs/dbraw/zinc/80/86/75/890808675.db2.gz BESAZVXNMHGVKM-AGIUHOORSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1=CC[NH+](C)CC1 ZINC001349403151 890809663 /nfs/dbraw/zinc/80/96/63/890809663.db2.gz GTSGARREIABXCH-JSGCOSHPSA-N 2 1 278.400 -0.247 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC1=CC[N@H+](C)CC1 ZINC001349403151 890809679 /nfs/dbraw/zinc/80/96/79/890809679.db2.gz GTSGARREIABXCH-JSGCOSHPSA-N 2 1 278.400 -0.247 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC1=CC[N@@H+](C)CC1 ZINC001349403151 890809700 /nfs/dbraw/zinc/80/97/00/890809700.db2.gz GTSGARREIABXCH-JSGCOSHPSA-N 2 1 278.400 -0.247 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC001349657184 890860563 /nfs/dbraw/zinc/86/05/63/890860563.db2.gz ZRRZMOPEBSAOOC-NWDGAFQWSA-N 2 1 256.394 -0.277 20 0 CBADMP C[C@H](C(=O)NCCC(C)(C)[NH3+])N1CC[NH+](C)CC1 ZINC001349875254 890909303 /nfs/dbraw/zinc/90/93/03/890909303.db2.gz UGBMATYYDMUTTN-LLVKDONJSA-N 2 1 256.394 -0.134 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC001350031936 890925708 /nfs/dbraw/zinc/92/57/08/890925708.db2.gz NCPDIJVKFYLCGD-CYDGBPFRSA-N 2 1 294.399 -0.417 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001350069794 890930830 /nfs/dbraw/zinc/93/08/30/890930830.db2.gz QRLJXYSLDYNZTI-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[NH+](C)C1CN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC001350588367 891014480 /nfs/dbraw/zinc/01/44/80/891014480.db2.gz GNOJMAOOQHQPDV-ZDUSSCGKSA-N 2 1 255.362 -0.394 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001351580736 891158181 /nfs/dbraw/zinc/15/81/81/891158181.db2.gz XAXDPSAGGXRVNZ-YNEHKIRRSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001351681956 891173862 /nfs/dbraw/zinc/17/38/62/891173862.db2.gz AOZCXMPUEKXMHD-NSHDSACASA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCOCC[NH+](C)C ZINC001351731714 891178671 /nfs/dbraw/zinc/17/86/71/891178671.db2.gz NKVGFVZBKRXPNO-OLZOCXBDSA-N 2 1 284.404 -0.931 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCNC(=O)CC12CCOCC2 ZINC001351800229 891189497 /nfs/dbraw/zinc/18/94/97/891189497.db2.gz LUYWJKYHHXDNKT-UHFFFAOYSA-N 2 1 271.361 -0.667 20 0 CBADMP CC(=O)N1CC[NH+](CCCNC(=O)CCC[NH+](C)C)CC1 ZINC001352675276 891281850 /nfs/dbraw/zinc/28/18/50/891281850.db2.gz UTJDYPDVUXHTMG-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC001352803127 891299134 /nfs/dbraw/zinc/29/91/34/891299134.db2.gz MCDYDHMLFOSDCU-LBPRGKRZSA-N 2 1 269.345 -0.316 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001353049299 891348838 /nfs/dbraw/zinc/34/88/38/891348838.db2.gz UZXVYEPEFOZAEX-UWVGGRQHSA-N 2 1 268.361 -0.807 20 0 CBADMP C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC001353132686 891364399 /nfs/dbraw/zinc/36/43/99/891364399.db2.gz WDTKDOYTFFMKAN-GVXVVHGQSA-N 2 1 294.399 -0.394 20 0 CBADMP C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449220135 913549967 /nfs/dbraw/zinc/54/99/67/913549967.db2.gz UWWPELOURPUSHC-RYUDHWBXSA-N 2 1 275.393 -0.930 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CCNc1ncccn1)C1CC1 ZINC001353239751 891384035 /nfs/dbraw/zinc/38/40/35/891384035.db2.gz LLKRGEBUWDSENY-GFCCVEGCSA-N 2 1 265.361 -0.067 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CCNc1ncccn1)C1CC1 ZINC001353239751 891384048 /nfs/dbraw/zinc/38/40/48/891384048.db2.gz LLKRGEBUWDSENY-GFCCVEGCSA-N 2 1 265.361 -0.067 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001449242367 913551865 /nfs/dbraw/zinc/55/18/65/913551865.db2.gz ZMXAMAVEGMALNN-QWHCGFSZSA-N 2 1 287.404 -0.928 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001449242367 913551871 /nfs/dbraw/zinc/55/18/71/913551871.db2.gz ZMXAMAVEGMALNN-QWHCGFSZSA-N 2 1 287.404 -0.928 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001449242367 913551886 /nfs/dbraw/zinc/55/18/86/913551886.db2.gz ZMXAMAVEGMALNN-QWHCGFSZSA-N 2 1 287.404 -0.928 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1C ZINC001353258228 891388386 /nfs/dbraw/zinc/38/83/86/891388386.db2.gz AVQNPPWVPQPWRE-BJDJZHNGSA-N 2 1 280.372 -0.842 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001449242368 913555927 /nfs/dbraw/zinc/55/59/27/913555927.db2.gz ZMXAMAVEGMALNN-STQMWFEESA-N 2 1 287.404 -0.928 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001449242368 913555937 /nfs/dbraw/zinc/55/59/37/913555937.db2.gz ZMXAMAVEGMALNN-STQMWFEESA-N 2 1 287.404 -0.928 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001449242368 913555946 /nfs/dbraw/zinc/55/59/46/913555946.db2.gz ZMXAMAVEGMALNN-STQMWFEESA-N 2 1 287.404 -0.928 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001353449093 891428280 /nfs/dbraw/zinc/42/82/80/891428280.db2.gz ZNTDZQUJQPLBGF-NQBHXWOUSA-N 2 1 255.362 -0.300 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001353571650 891447315 /nfs/dbraw/zinc/44/73/15/891447315.db2.gz RADRXNOBZSDWPF-SNVBAGLBSA-N 2 1 261.366 -0.831 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)NCCCC[NH3+])cc2C[NH2+]1 ZINC001353602677 891453073 /nfs/dbraw/zinc/45/30/73/891453073.db2.gz QWFIZMDYBYNKGW-SECBINFHSA-N 2 1 251.334 -0.157 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCn2cncc2C1 ZINC001354018576 891498498 /nfs/dbraw/zinc/49/84/98/891498498.db2.gz HPZFKWXRKCVFGM-AAEUAGOBSA-N 2 1 264.329 -0.320 20 0 CBADMP C[C@@H]([NH3+])CONC(=O)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC001354073685 891510098 /nfs/dbraw/zinc/51/00/98/891510098.db2.gz KVXRJJYLRVVJFP-SFYZADRCSA-N 2 1 253.306 -0.505 20 0 CBADMP C[NH2+]CCCC(=O)N1CCC(N[C@@H]2C[NH2+]CCOC2)CC1 ZINC001354238827 891544110 /nfs/dbraw/zinc/54/41/10/891544110.db2.gz YVWPDJCGWAGUCZ-CQSZACIVSA-N 2 1 298.431 -0.445 20 0 CBADMP [NH3+]C[C@@H](O)CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001354343373 891568575 /nfs/dbraw/zinc/56/85/75/891568575.db2.gz OVLKUMNQUSYLNL-STQMWFEESA-N 2 1 269.389 -0.066 20 0 CBADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001354580083 891596775 /nfs/dbraw/zinc/59/67/75/891596775.db2.gz GEXOIIRCYYDOST-GARJFASQSA-N 2 1 255.362 -0.220 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)/C=C\CN2CCOCC2)CC1 ZINC001354771134 891616209 /nfs/dbraw/zinc/61/62/09/891616209.db2.gz PCJNUTORCFQFII-UPHRSURJSA-N 2 1 296.415 -0.586 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC001356488180 891769220 /nfs/dbraw/zinc/76/92/20/891769220.db2.gz NAQCKMPWDULVJS-UHFFFAOYSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N3CCC([NH3+])CC3)cc2C[NH2+]1 ZINC001356498503 891772955 /nfs/dbraw/zinc/77/29/55/891772955.db2.gz GLMDSTDZEKKIJC-SECBINFHSA-N 2 1 263.345 -0.062 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001357374482 891878847 /nfs/dbraw/zinc/87/88/47/891878847.db2.gz CJBSUMDNEIRVEX-DYEKYZERSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@@H](CNC(=O)C1(C[NH3+])CC(O)C1)[N@@H+](C)C1CC1 ZINC001357391915 891882438 /nfs/dbraw/zinc/88/24/38/891882438.db2.gz OFHKKJLWJAYKOE-FJJSSXBZSA-N 2 1 255.362 -0.315 20 0 CBADMP C[NH2+]CCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001357433893 891893575 /nfs/dbraw/zinc/89/35/75/891893575.db2.gz HUVPIDHTSIXCSE-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[NH2+]CCNC(=O)NCCCCC[NH+]1CCNCC1 ZINC001357434044 891895090 /nfs/dbraw/zinc/89/50/90/891895090.db2.gz FJDWLYPSOSJVAV-UHFFFAOYSA-N 2 1 285.436 -0.029 20 0 CBADMP [NH3+]CCNCC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC001357611262 891920870 /nfs/dbraw/zinc/92/08/70/891920870.db2.gz IDHDFPXJQYGPMJ-GFCCVEGCSA-N 2 1 263.345 -0.897 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC001357989682 891953901 /nfs/dbraw/zinc/95/39/01/891953901.db2.gz BLRCPYCYGAEMGG-GDPRMGEGSA-N 2 1 251.334 -0.466 20 0 CBADMP C[N@@H+](CC(=O)N1CC[NH2+]C[C@H]1CO)CC(C)(C)C ZINC001358028509 891960555 /nfs/dbraw/zinc/96/05/55/891960555.db2.gz NXLJSTSVTAKAJM-NSHDSACASA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H]1[C@H](NC(=O)c2cn(CCCC[NH3+])nn2)CC[N@H+]1C ZINC001358185331 891978828 /nfs/dbraw/zinc/97/88/28/891978828.db2.gz IUGBEGJYSHCPRS-WDEREUQCSA-N 2 1 280.376 -0.161 20 0 CBADMP CN1CCN(C(=O)C2CC[NH2+]CC2)CC[N@@H+](C)CC1 ZINC001358443752 892004759 /nfs/dbraw/zinc/00/47/59/892004759.db2.gz CJBBQTKSOKRPIH-UHFFFAOYSA-N 2 1 268.405 -0.308 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362317319 892590364 /nfs/dbraw/zinc/59/03/64/892590364.db2.gz CTTHNEQLUHCEJI-AAEUAGOBSA-N 2 1 273.352 -0.397 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)CC[N@@H+]2CC[C@H](F)C2)C1 ZINC001362317319 892590366 /nfs/dbraw/zinc/59/03/66/892590366.db2.gz CTTHNEQLUHCEJI-AAEUAGOBSA-N 2 1 273.352 -0.397 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)CC[N@H+]2CC[C@H](F)C2)C1 ZINC001362317319 892590371 /nfs/dbraw/zinc/59/03/71/892590371.db2.gz CTTHNEQLUHCEJI-AAEUAGOBSA-N 2 1 273.352 -0.397 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC2(CCO)CC[NH+](C)CC2)C1 ZINC001362454014 892693190 /nfs/dbraw/zinc/69/31/90/892693190.db2.gz VPSCFCQCTNUMII-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC2(CCO)CC[NH+](C)CC2)C1 ZINC001362454014 892693198 /nfs/dbraw/zinc/69/31/98/892693198.db2.gz VPSCFCQCTNUMII-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001362484749 892718707 /nfs/dbraw/zinc/71/87/07/892718707.db2.gz SYCCFFOHVGDTAZ-CYBMUJFWSA-N 2 1 280.416 -0.214 20 0 CBADMP C[C@@H](CC[NH+](C)C)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001362778975 893022946 /nfs/dbraw/zinc/02/29/46/893022946.db2.gz UTPDRESWHJDSLU-WCQYABFASA-N 2 1 273.377 -0.959 20 0 CBADMP O[C@@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C1CC1 ZINC001363224697 893473567 /nfs/dbraw/zinc/47/35/67/893473567.db2.gz FMERYQWAXCTDNO-AWEZNQCLSA-N 2 1 284.400 -0.084 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(CC(=O)NC3CC[NH+](C)CC3)C[C@@H]21 ZINC001363790562 893995517 /nfs/dbraw/zinc/99/55/17/893995517.db2.gz KNMOTWPORMGIEO-OCCSQVGLSA-N 2 1 280.416 -0.167 20 0 CBADMP C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)CN1CC[NH+](C)CC1)C2 ZINC001364509656 894467449 /nfs/dbraw/zinc/46/74/49/894467449.db2.gz WMHZCFVNSSKQHZ-AGUYFDCRSA-N 2 1 280.416 -0.025 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)CN1CC[NH+](C)CC1)C2 ZINC001364509656 894467460 /nfs/dbraw/zinc/46/74/60/894467460.db2.gz WMHZCFVNSSKQHZ-AGUYFDCRSA-N 2 1 280.416 -0.025 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001364643574 894538068 /nfs/dbraw/zinc/53/80/68/894538068.db2.gz QHNPOKMGDGNRNM-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)C1 ZINC001364643574 894538075 /nfs/dbraw/zinc/53/80/75/894538075.db2.gz QHNPOKMGDGNRNM-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)C1 ZINC001364643574 894538090 /nfs/dbraw/zinc/53/80/90/894538090.db2.gz QHNPOKMGDGNRNM-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)C(C)(C)O)CCO2 ZINC001365318466 894897796 /nfs/dbraw/zinc/89/77/96/894897796.db2.gz QYLKEMKQRFIBLO-LBPRGKRZSA-N 2 1 272.389 -0.085 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001365895503 895138488 /nfs/dbraw/zinc/13/84/88/895138488.db2.gz LQUFQGOGMDMUMP-AGIUHOORSA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@H](O)C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001365952973 895148816 /nfs/dbraw/zinc/14/88/16/895148816.db2.gz AULPNJNRJZYGRE-KBPBESRZSA-N 2 1 298.431 -0.805 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001365953392 895149084 /nfs/dbraw/zinc/14/90/84/895149084.db2.gz SUNULMCJPRXKBB-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001365971790 895153514 /nfs/dbraw/zinc/15/35/14/895153514.db2.gz BTOAMAPYFAITIS-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001365971790 895153519 /nfs/dbraw/zinc/15/35/19/895153519.db2.gz BTOAMAPYFAITIS-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001365995649 895166719 /nfs/dbraw/zinc/16/67/19/895166719.db2.gz MDQVXBRHDZIDPY-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001365995649 895166722 /nfs/dbraw/zinc/16/67/22/895166722.db2.gz MDQVXBRHDZIDPY-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001365995649 895166726 /nfs/dbraw/zinc/16/67/26/895166726.db2.gz MDQVXBRHDZIDPY-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001365995649 895166729 /nfs/dbraw/zinc/16/67/29/895166729.db2.gz MDQVXBRHDZIDPY-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001366001797 895169271 /nfs/dbraw/zinc/16/92/71/895169271.db2.gz DDXJYHXSTWAFHM-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001366001797 895169277 /nfs/dbraw/zinc/16/92/77/895169277.db2.gz DDXJYHXSTWAFHM-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001366001797 895169285 /nfs/dbraw/zinc/16/92/85/895169285.db2.gz DDXJYHXSTWAFHM-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001366001797 895169291 /nfs/dbraw/zinc/16/92/91/895169291.db2.gz DDXJYHXSTWAFHM-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001366133049 895199849 /nfs/dbraw/zinc/19/98/49/895199849.db2.gz WPIMBTNTMKTERV-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001366130682 895202663 /nfs/dbraw/zinc/20/26/63/895202663.db2.gz OWHYLFABFHHBES-JHJVBQTASA-N 2 1 296.371 -0.564 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001366170033 895214294 /nfs/dbraw/zinc/21/42/94/895214294.db2.gz XDEYCDRXCLZXAE-FRRDWIJNSA-N 2 1 296.415 -0.156 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001366182052 895217262 /nfs/dbraw/zinc/21/72/62/895217262.db2.gz ANQXNIXFOOAZQH-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001366204163 895220450 /nfs/dbraw/zinc/22/04/50/895220450.db2.gz VOLDERGGZVSKCU-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001366204163 895220465 /nfs/dbraw/zinc/22/04/65/895220465.db2.gz VOLDERGGZVSKCU-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001366308009 895265579 /nfs/dbraw/zinc/26/55/79/895265579.db2.gz DZBUDGIOBBRKPS-NWDGAFQWSA-N 2 1 280.376 -0.533 20 0 CBADMP CCn1ncc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001366329253 895282706 /nfs/dbraw/zinc/28/27/06/895282706.db2.gz XEUVTPOLMZSJIK-LLVKDONJSA-N 2 1 282.392 -0.156 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001366346532 895289632 /nfs/dbraw/zinc/28/96/32/895289632.db2.gz ULMVYQDYDRCSDH-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CCN(CC)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001366358138 895289727 /nfs/dbraw/zinc/28/97/27/895289727.db2.gz NDMVLYQSBKAZDL-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001366396817 895309716 /nfs/dbraw/zinc/30/97/16/895309716.db2.gz XMRCNYCWMRGZQW-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001366410681 895312809 /nfs/dbraw/zinc/31/28/09/895312809.db2.gz MYIDZKLEKSDBDP-GFCCVEGCSA-N 2 1 293.371 -0.624 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001366436689 895321005 /nfs/dbraw/zinc/32/10/05/895321005.db2.gz ATIYYJOSZLQVOE-WDEREUQCSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001366436688 895321802 /nfs/dbraw/zinc/32/18/02/895321802.db2.gz ATIYYJOSZLQVOE-QWRGUYRKSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nnn(C)n1 ZINC001366508455 895342382 /nfs/dbraw/zinc/34/23/82/895342382.db2.gz LLLKRKRKSLXIPZ-MNOVXSKESA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnn(C)n1 ZINC001366508455 895342398 /nfs/dbraw/zinc/34/23/98/895342398.db2.gz LLLKRKRKSLXIPZ-MNOVXSKESA-N 2 1 295.391 -0.854 20 0 CBADMP CCN1CC[C@H](N(C)CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001366522420 895353940 /nfs/dbraw/zinc/35/39/40/895353940.db2.gz XWJVJOSMFIGZCL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001366522420 895353952 /nfs/dbraw/zinc/35/39/52/895353952.db2.gz XWJVJOSMFIGZCL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001366522420 895353966 /nfs/dbraw/zinc/35/39/66/895353966.db2.gz XWJVJOSMFIGZCL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@H]([NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001366522420 895353991 /nfs/dbraw/zinc/35/39/91/895353991.db2.gz XWJVJOSMFIGZCL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001366541393 895369654 /nfs/dbraw/zinc/36/96/54/895369654.db2.gz QTRBNKKSMWHBTB-RYUDHWBXSA-N 2 1 284.404 -0.491 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001366541393 895369669 /nfs/dbraw/zinc/36/96/69/895369669.db2.gz QTRBNKKSMWHBTB-RYUDHWBXSA-N 2 1 284.404 -0.491 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001366550689 895378547 /nfs/dbraw/zinc/37/85/47/895378547.db2.gz PHAFDTOECUPYPN-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)CCn1cncn1 ZINC001366586943 895396551 /nfs/dbraw/zinc/39/65/51/895396551.db2.gz MBTQOWBMUFECRD-UHFFFAOYSA-N 2 1 280.376 -0.578 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CCn1cncn1)[NH+](C)C ZINC001366583182 895397005 /nfs/dbraw/zinc/39/70/05/895397005.db2.gz BYBIVEQAKPUSPV-ZDUSSCGKSA-N 2 1 296.419 -0.088 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]1CCNC1=O ZINC001366618184 895409716 /nfs/dbraw/zinc/40/97/16/895409716.db2.gz XNAQBYJBMZWDCO-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@H+](CCCO)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001366641770 895417736 /nfs/dbraw/zinc/41/77/36/895417736.db2.gz XYYFCCFWCWRMQB-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[N@@H+](CCCO)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001366641770 895417742 /nfs/dbraw/zinc/41/77/42/895417742.db2.gz XYYFCCFWCWRMQB-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](CCCO)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001366641770 895417747 /nfs/dbraw/zinc/41/77/47/895417747.db2.gz XYYFCCFWCWRMQB-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](CCCO)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001366641770 895417756 /nfs/dbraw/zinc/41/77/56/895417756.db2.gz XYYFCCFWCWRMQB-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001366663620 895426830 /nfs/dbraw/zinc/42/68/30/895426830.db2.gz BCIVKFZUSGGXPN-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H]1CCCN(C)C1=O ZINC001366776207 895459795 /nfs/dbraw/zinc/45/97/95/895459795.db2.gz RSQGVLXKCPVYHY-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCC[C@H]2CC[N@H+](CCO)C2)C1 ZINC001366824445 895467260 /nfs/dbraw/zinc/46/72/60/895467260.db2.gz QZTZAKXSYSUNIO-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[C@H]2CC[NH+](CCO)C2)C1 ZINC001366824445 895467246 /nfs/dbraw/zinc/46/72/46/895467246.db2.gz QZTZAKXSYSUNIO-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[C@H]2CC[NH+](CCO)C2)C1 ZINC001366824445 895467254 /nfs/dbraw/zinc/46/72/54/895467254.db2.gz QZTZAKXSYSUNIO-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCC[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001366824445 895467266 /nfs/dbraw/zinc/46/72/66/895467266.db2.gz QZTZAKXSYSUNIO-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001366871689 895471194 /nfs/dbraw/zinc/47/11/94/895471194.db2.gz OZWDPOVGNPYPAO-NWDGAFQWSA-N 2 1 293.371 -0.463 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001366871707 895474420 /nfs/dbraw/zinc/47/44/20/895474420.db2.gz OZWDPOVGNPYPAO-VXGBXAGGSA-N 2 1 293.371 -0.463 20 0 CBADMP CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001366885913 895478695 /nfs/dbraw/zinc/47/86/95/895478695.db2.gz XOTRBDGWJQTWMF-TZMCWYRMSA-N 2 1 298.431 -0.162 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001366894576 895480064 /nfs/dbraw/zinc/48/00/64/895480064.db2.gz ZIQQVEOZVYFWBY-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001366894576 895480069 /nfs/dbraw/zinc/48/00/69/895480069.db2.gz ZIQQVEOZVYFWBY-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@H]2CCNC2=O)C1 ZINC001366913107 895484151 /nfs/dbraw/zinc/48/41/51/895484151.db2.gz UPDCRKXDUABRIH-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@H]2CCNC2=O)C1 ZINC001366913107 895484159 /nfs/dbraw/zinc/48/41/59/895484159.db2.gz UPDCRKXDUABRIH-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001366913107 895484163 /nfs/dbraw/zinc/48/41/63/895484163.db2.gz UPDCRKXDUABRIH-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001366913107 895484168 /nfs/dbraw/zinc/48/41/68/895484168.db2.gz UPDCRKXDUABRIH-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001366963100 895509891 /nfs/dbraw/zinc/50/98/91/895509891.db2.gz MXCILJWHSZVGRR-KWCYVHTRSA-N 2 1 299.415 -0.618 20 0 CBADMP COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001367001028 895522055 /nfs/dbraw/zinc/52/20/55/895522055.db2.gz VTEMQMXBHGENPT-ZOBORPQBSA-N 2 1 297.399 -0.770 20 0 CBADMP COC[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367001028 895522058 /nfs/dbraw/zinc/52/20/58/895522058.db2.gz VTEMQMXBHGENPT-ZOBORPQBSA-N 2 1 297.399 -0.770 20 0 CBADMP COC[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367001028 895522068 /nfs/dbraw/zinc/52/20/68/895522068.db2.gz VTEMQMXBHGENPT-ZOBORPQBSA-N 2 1 297.399 -0.770 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC001367037130 895542341 /nfs/dbraw/zinc/54/23/41/895542341.db2.gz BIOQANFSYDXXRQ-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC001367037130 895542351 /nfs/dbraw/zinc/54/23/51/895542351.db2.gz BIOQANFSYDXXRQ-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001367037130 895542359 /nfs/dbraw/zinc/54/23/59/895542359.db2.gz BIOQANFSYDXXRQ-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001367037130 895542368 /nfs/dbraw/zinc/54/23/68/895542368.db2.gz BIOQANFSYDXXRQ-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001367079360 895551809 /nfs/dbraw/zinc/55/18/09/895551809.db2.gz VWJZJNYHEKOWTM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001367079360 895551818 /nfs/dbraw/zinc/55/18/18/895551818.db2.gz VWJZJNYHEKOWTM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NC ZINC001367106308 895566735 /nfs/dbraw/zinc/56/67/35/895566735.db2.gz SGOPRTVOIYDJPI-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001367128807 895571008 /nfs/dbraw/zinc/57/10/08/895571008.db2.gz RTXDFRZHGYOVAW-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001367140988 895575296 /nfs/dbraw/zinc/57/52/96/895575296.db2.gz OMORALKWSHWAAI-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001367140990 895576013 /nfs/dbraw/zinc/57/60/13/895576013.db2.gz OMORALKWSHWAAI-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001367145812 895577959 /nfs/dbraw/zinc/57/79/59/895577959.db2.gz YLPMQGJLRDYQGJ-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001367145812 895577965 /nfs/dbraw/zinc/57/79/65/895577965.db2.gz YLPMQGJLRDYQGJ-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001367145813 895579707 /nfs/dbraw/zinc/57/97/07/895579707.db2.gz YLPMQGJLRDYQGJ-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001367145813 895579717 /nfs/dbraw/zinc/57/97/17/895579717.db2.gz YLPMQGJLRDYQGJ-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001367201727 895582142 /nfs/dbraw/zinc/58/21/42/895582142.db2.gz QICHANAOQFQKFZ-JHJVBQTASA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001367263471 895599633 /nfs/dbraw/zinc/59/96/33/895599633.db2.gz CQRQOERFXNOFOW-QWHCGFSZSA-N 2 1 298.431 -0.064 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001367281800 895602078 /nfs/dbraw/zinc/60/20/78/895602078.db2.gz AMQIPHLXOGNACZ-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CCC[NH+](C)C ZINC001367382576 895630137 /nfs/dbraw/zinc/63/01/37/895630137.db2.gz JONVMUREQUZGIM-LLVKDONJSA-N 2 1 297.407 -0.512 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001367536540 895658760 /nfs/dbraw/zinc/65/87/60/895658760.db2.gz RFMSRNMIGBAVTR-NSHDSACASA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001367536540 895658756 /nfs/dbraw/zinc/65/87/56/895658756.db2.gz RFMSRNMIGBAVTR-NSHDSACASA-N 2 1 284.404 -0.408 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001367547810 895663305 /nfs/dbraw/zinc/66/33/05/895663305.db2.gz OHSBRSQLMJCNRR-LLVKDONJSA-N 2 1 272.393 -0.408 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001367547810 895663311 /nfs/dbraw/zinc/66/33/11/895663311.db2.gz OHSBRSQLMJCNRR-LLVKDONJSA-N 2 1 272.393 -0.408 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O ZINC001367547810 895663296 /nfs/dbraw/zinc/66/32/96/895663296.db2.gz OHSBRSQLMJCNRR-LLVKDONJSA-N 2 1 272.393 -0.408 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O ZINC001367547810 895663299 /nfs/dbraw/zinc/66/32/99/895663299.db2.gz OHSBRSQLMJCNRR-LLVKDONJSA-N 2 1 272.393 -0.408 20 0 CBADMP Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)n1 ZINC001367606203 895697409 /nfs/dbraw/zinc/69/74/09/895697409.db2.gz VWBHTBVZXFOJDU-LBPRGKRZSA-N 2 1 295.387 -0.697 20 0 CBADMP CO[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001367629512 895713578 /nfs/dbraw/zinc/71/35/78/895713578.db2.gz XAXGCPOAMXYSBH-ZYHUDNBSSA-N 2 1 284.360 -0.707 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367662199 895729607 /nfs/dbraw/zinc/72/96/07/895729607.db2.gz FFMDEWYWGAKYEE-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CCN(CC)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367711114 895760401 /nfs/dbraw/zinc/76/04/01/895760401.db2.gz DVOLZKQCBDFTFW-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001367714518 895761908 /nfs/dbraw/zinc/76/19/08/895761908.db2.gz JFQXHAZMVKGBMK-MNOVXSKESA-N 2 1 272.393 -0.445 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367731492 895774668 /nfs/dbraw/zinc/77/46/68/895774668.db2.gz MOINALDMTDFAEL-QJPTWQEYSA-N 2 1 284.404 -0.491 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001367739176 895783079 /nfs/dbraw/zinc/78/30/79/895783079.db2.gz GNUKMBMUQXHHCN-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001367751652 895783347 /nfs/dbraw/zinc/78/33/47/895783347.db2.gz PQMFNGJWOYNJGK-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001367759230 895789564 /nfs/dbraw/zinc/78/95/64/895789564.db2.gz GJMUKFFTSLZFFY-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001367759230 895789583 /nfs/dbraw/zinc/78/95/83/895789583.db2.gz GJMUKFFTSLZFFY-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001367773799 895802592 /nfs/dbraw/zinc/80/25/92/895802592.db2.gz CBNYMFGXYKZOOD-NSHDSACASA-N 2 1 272.393 -0.443 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001367771516 895803496 /nfs/dbraw/zinc/80/34/96/895803496.db2.gz JYVICJCKOIXBFT-CMPLNLGQSA-N 2 1 284.360 -0.707 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001367771931 895803244 /nfs/dbraw/zinc/80/32/44/895803244.db2.gz MTRRVZVPOGIZFR-LBPRGKRZSA-N 2 1 294.403 -0.012 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001367771554 895803695 /nfs/dbraw/zinc/80/36/95/895803695.db2.gz LABSNDPBZAUBKS-NSHDSACASA-N 2 1 295.387 -0.188 20 0 CBADMP CC[C@H](C(N)=O)N(C)C[C@@H](C)NC(=O)CCn1ccnc1 ZINC001367820923 895821112 /nfs/dbraw/zinc/82/11/12/895821112.db2.gz OMYULBNUWWYIKS-VXGBXAGGSA-N 2 1 295.387 -0.026 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367922319 895855021 /nfs/dbraw/zinc/85/50/21/895855021.db2.gz UIQHARNKNFJUSZ-STQMWFEESA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)OCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001367936949 895859723 /nfs/dbraw/zinc/85/97/23/895859723.db2.gz OTASIGFNOBROJW-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)OCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001367936949 895859730 /nfs/dbraw/zinc/85/97/30/895859730.db2.gz OTASIGFNOBROJW-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP C[NH+]1CCC(OCC(=O)NC[C@@H]2CC[N@H+]2CCCO)CC1 ZINC001367968479 895873729 /nfs/dbraw/zinc/87/37/29/895873729.db2.gz NHJZOQJYPKSSSW-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1)C(=O)N(C)C ZINC001367993907 895881791 /nfs/dbraw/zinc/88/17/91/895881791.db2.gz XETPRPIJVQPCGW-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001368009929 895889626 /nfs/dbraw/zinc/88/96/26/895889626.db2.gz ADKNLZRCYQYYNK-CHWSQXEVSA-N 2 1 299.415 -0.284 20 0 CBADMP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001368014015 895890735 /nfs/dbraw/zinc/89/07/35/895890735.db2.gz NBKNPGGXTWHXKA-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1)C(N)=O ZINC001368014739 895892622 /nfs/dbraw/zinc/89/26/22/895892622.db2.gz QANVARBVSPEZOS-NEPJUHHUSA-N 2 1 296.415 -0.027 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001368222661 895935911 /nfs/dbraw/zinc/93/59/11/895935911.db2.gz FUGSSKCKSAOGGS-LBPRGKRZSA-N 2 1 285.388 -0.672 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCCO)C1 ZINC001368244166 895937020 /nfs/dbraw/zinc/93/70/20/895937020.db2.gz IGIOXEPGUXMPEK-GXTWGEPZSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001368244166 895937034 /nfs/dbraw/zinc/93/70/34/895937034.db2.gz IGIOXEPGUXMPEK-GXTWGEPZSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001368244166 895937050 /nfs/dbraw/zinc/93/70/50/895937050.db2.gz IGIOXEPGUXMPEK-GXTWGEPZSA-N 2 1 285.388 -0.984 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCCO)C1 ZINC001368244172 895939221 /nfs/dbraw/zinc/93/92/21/895939221.db2.gz IGIOXEPGUXMPEK-OCCSQVGLSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001368244172 895939230 /nfs/dbraw/zinc/93/92/30/895939230.db2.gz IGIOXEPGUXMPEK-OCCSQVGLSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001368244172 895939236 /nfs/dbraw/zinc/93/92/36/895939236.db2.gz IGIOXEPGUXMPEK-OCCSQVGLSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)CC1 ZINC001368267500 895953068 /nfs/dbraw/zinc/95/30/68/895953068.db2.gz WCMUZOWTICKLOV-HNNXBMFYSA-N 2 1 299.415 -0.736 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001368266502 895953457 /nfs/dbraw/zinc/95/34/57/895953457.db2.gz NLHKSGSFIBIIGN-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001368266502 895953470 /nfs/dbraw/zinc/95/34/70/895953470.db2.gz NLHKSGSFIBIIGN-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001368266502 895953484 /nfs/dbraw/zinc/95/34/84/895953484.db2.gz NLHKSGSFIBIIGN-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[C@H](C(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1)[NH+](C)C ZINC001368318380 895979439 /nfs/dbraw/zinc/97/94/39/895979439.db2.gz GJUXXRCVSSMHNS-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001368471698 896018249 /nfs/dbraw/zinc/01/82/49/896018249.db2.gz YZXAVUYYRUGDCG-FQUUOJAGSA-N 2 1 299.415 -0.164 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001368471698 896018239 /nfs/dbraw/zinc/01/82/39/896018239.db2.gz YZXAVUYYRUGDCG-FQUUOJAGSA-N 2 1 299.415 -0.164 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC(=O)NC)CCC1 ZINC001368493852 896018358 /nfs/dbraw/zinc/01/83/58/896018358.db2.gz QIIIATWHVJOKIE-UHFFFAOYSA-N 2 1 284.404 -0.297 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001368521181 896026635 /nfs/dbraw/zinc/02/66/35/896026635.db2.gz KBIRWIPMIZSFRM-LPWJVIDDSA-N 2 1 296.415 -0.314 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001368548476 896035523 /nfs/dbraw/zinc/03/55/23/896035523.db2.gz GJBXRQADVMIASH-SYQHCUMBSA-N 2 1 299.415 -0.164 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001368548476 896035532 /nfs/dbraw/zinc/03/55/32/896035532.db2.gz GJBXRQADVMIASH-SYQHCUMBSA-N 2 1 299.415 -0.164 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001368631541 896052266 /nfs/dbraw/zinc/05/22/66/896052266.db2.gz NXOGVTFIKWKMSB-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[N@H+](C)CC(N)=O)CC1 ZINC001368797330 896085068 /nfs/dbraw/zinc/08/50/68/896085068.db2.gz NOIQDDWNPPGWAR-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[N@@H+](C)CC(N)=O)CC1 ZINC001368797330 896085074 /nfs/dbraw/zinc/08/50/74/896085074.db2.gz NOIQDDWNPPGWAR-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001368818217 896086877 /nfs/dbraw/zinc/08/68/77/896086877.db2.gz XNQNQZCQHVNWTQ-WXRRBKDZSA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001368807803 896087704 /nfs/dbraw/zinc/08/77/04/896087704.db2.gz JFDQVKBIFKIUPB-BPCQOVAHSA-N 2 1 296.415 -0.170 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC(=O)N1CCC1 ZINC001368991759 896133301 /nfs/dbraw/zinc/13/33/01/896133301.db2.gz DPIFLOPDELATLP-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC(=O)N1CCC1 ZINC001368991759 896133302 /nfs/dbraw/zinc/13/33/02/896133302.db2.gz DPIFLOPDELATLP-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N1CCC1 ZINC001368991759 896133305 /nfs/dbraw/zinc/13/33/05/896133305.db2.gz DPIFLOPDELATLP-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N1CCC1 ZINC001368991759 896133309 /nfs/dbraw/zinc/13/33/09/896133309.db2.gz DPIFLOPDELATLP-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001369167422 896165410 /nfs/dbraw/zinc/16/54/10/896165410.db2.gz HEWLEWCFCFMSPG-ZDEQEGDKSA-N 2 1 296.415 -0.301 20 0 CBADMP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001369331654 896220966 /nfs/dbraw/zinc/22/09/66/896220966.db2.gz OMDXOMDTVSYWDP-DGCLKSJQSA-N 2 1 298.387 -0.110 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001369335088 896222891 /nfs/dbraw/zinc/22/28/91/896222891.db2.gz MHGGESOLBPNITM-NWDGAFQWSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001369335088 896222909 /nfs/dbraw/zinc/22/29/09/896222909.db2.gz MHGGESOLBPNITM-NWDGAFQWSA-N 2 1 294.403 -0.154 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001369349084 896230840 /nfs/dbraw/zinc/23/08/40/896230840.db2.gz WVAOCNGDECUVKK-NEPJUHHUSA-N 2 1 275.368 -0.103 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001369349091 896230994 /nfs/dbraw/zinc/23/09/94/896230994.db2.gz WVAOCNGDECUVKK-NWDGAFQWSA-N 2 1 275.368 -0.103 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001369358021 896236825 /nfs/dbraw/zinc/23/68/25/896236825.db2.gz AXGLFNLEOTYMIL-NEPJUHHUSA-N 2 1 298.387 -0.110 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001369363620 896240169 /nfs/dbraw/zinc/24/01/69/896240169.db2.gz MPGZKCURBQUKJE-ZDUSSCGKSA-N 2 1 285.388 -0.815 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1cccnc1 ZINC001369371259 896244445 /nfs/dbraw/zinc/24/44/45/896244445.db2.gz GJOKBAXGCIWQEG-CQSZACIVSA-N 2 1 294.399 -0.012 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H]1C ZINC001369395224 896254686 /nfs/dbraw/zinc/25/46/86/896254686.db2.gz RUFAAQYLRIYMLR-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001369451384 896274126 /nfs/dbraw/zinc/27/41/26/896274126.db2.gz XJZSRHKGLZVPJF-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001370548999 896440358 /nfs/dbraw/zinc/44/03/58/896440358.db2.gz RKFGEVLAOZVFJE-SRVKXCTJSA-N 2 1 282.388 -0.547 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001370613339 896446155 /nfs/dbraw/zinc/44/61/55/896446155.db2.gz FVHDZKUUAJHLRO-FVCCEPFGSA-N 2 1 285.388 -0.411 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001370613339 896446165 /nfs/dbraw/zinc/44/61/65/896446165.db2.gz FVHDZKUUAJHLRO-FVCCEPFGSA-N 2 1 285.388 -0.411 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001370702422 896483754 /nfs/dbraw/zinc/48/37/54/896483754.db2.gz HZOSGIITOJKLJG-TXEJJXNPSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001371138772 896554402 /nfs/dbraw/zinc/55/44/02/896554402.db2.gz JHMOFLIJBPWGKP-JQWIXIFHSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001371138773 896556959 /nfs/dbraw/zinc/55/69/59/896556959.db2.gz JHMOFLIJBPWGKP-PWSUYJOCSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H](C)c1nnnn1C ZINC001371343955 896592514 /nfs/dbraw/zinc/59/25/14/896592514.db2.gz IBVJCPBYBNSACY-MNOVXSKESA-N 2 1 297.407 -0.293 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)NC ZINC001371424399 896604819 /nfs/dbraw/zinc/60/48/19/896604819.db2.gz IBJIYAPOZZHYQM-GHMZBOCLSA-N 2 1 272.393 -0.443 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001371436580 896610367 /nfs/dbraw/zinc/61/03/67/896610367.db2.gz ZSPAMVQUYMMIMF-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001371436580 896610380 /nfs/dbraw/zinc/61/03/80/896610380.db2.gz ZSPAMVQUYMMIMF-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001371546127 896633504 /nfs/dbraw/zinc/63/35/04/896633504.db2.gz VSTVENXISFBYNP-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001371582791 896640854 /nfs/dbraw/zinc/64/08/54/896640854.db2.gz MCMSQRJZZQNGME-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001371608836 896641904 /nfs/dbraw/zinc/64/19/04/896641904.db2.gz ADMLTCBSMKQMHE-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001371612082 896645109 /nfs/dbraw/zinc/64/51/09/896645109.db2.gz FJQWSBNULUWPBR-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001371736276 896657050 /nfs/dbraw/zinc/65/70/50/896657050.db2.gz UTXRAQQIRGAVBI-WCQYABFASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001371876333 896673809 /nfs/dbraw/zinc/67/38/09/896673809.db2.gz HROISEVUYMYQGM-NEPJUHHUSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001371876652 896674332 /nfs/dbraw/zinc/67/43/32/896674332.db2.gz IRYRARLSJDLQTD-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001371929389 896686754 /nfs/dbraw/zinc/68/67/54/896686754.db2.gz XXJRZRIMPOCDGH-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001371929389 896686757 /nfs/dbraw/zinc/68/67/57/896686757.db2.gz XXJRZRIMPOCDGH-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001371929389 896686762 /nfs/dbraw/zinc/68/67/62/896686762.db2.gz XXJRZRIMPOCDGH-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001371929389 896686765 /nfs/dbraw/zinc/68/67/65/896686765.db2.gz XXJRZRIMPOCDGH-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC(N)=O ZINC001372459662 896786971 /nfs/dbraw/zinc/78/69/71/896786971.db2.gz FUONWJJFBLSFPP-GFCCVEGCSA-N 2 1 272.393 -0.504 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC(N)=O ZINC001372459662 896786979 /nfs/dbraw/zinc/78/69/79/896786979.db2.gz FUONWJJFBLSFPP-GFCCVEGCSA-N 2 1 272.393 -0.504 20 0 CBADMP CCNC(=O)C[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001372466965 896787243 /nfs/dbraw/zinc/78/72/43/896787243.db2.gz NYHQQOZJUCJYSR-UHFFFAOYSA-N 2 1 296.415 -0.344 20 0 CBADMP CCNC(=O)C[N@@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001372466965 896787246 /nfs/dbraw/zinc/78/72/46/896787246.db2.gz NYHQQOZJUCJYSR-UHFFFAOYSA-N 2 1 296.415 -0.344 20 0 CBADMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N(C)C)[NH+](C)C ZINC001372520382 896799929 /nfs/dbraw/zinc/79/99/29/896799929.db2.gz AXGQSPVTIKOSDH-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N(C)C)[NH+](C)C ZINC001372520382 896799939 /nfs/dbraw/zinc/79/99/39/896799939.db2.gz AXGQSPVTIKOSDH-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001372556451 896805723 /nfs/dbraw/zinc/80/57/23/896805723.db2.gz ZUCFNDKRGNEIAQ-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001372547399 896806876 /nfs/dbraw/zinc/80/68/76/896806876.db2.gz DQQPOECFDVMXQR-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001372631449 896831235 /nfs/dbraw/zinc/83/12/35/896831235.db2.gz XDUDTPBHROOWEW-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001372674151 896834444 /nfs/dbraw/zinc/83/44/44/896834444.db2.gz ZEMCRKIWDITQSB-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001372674151 896834458 /nfs/dbraw/zinc/83/44/58/896834458.db2.gz ZEMCRKIWDITQSB-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001372674151 896834477 /nfs/dbraw/zinc/83/44/77/896834477.db2.gz ZEMCRKIWDITQSB-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001372942621 896908903 /nfs/dbraw/zinc/90/89/03/896908903.db2.gz GMANDKMGEZWCRW-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC001372940702 896909286 /nfs/dbraw/zinc/90/92/86/896909286.db2.gz ZQRVNZGJLGAANH-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001373157865 896951848 /nfs/dbraw/zinc/95/18/48/896951848.db2.gz WRUGXZBXBKHVMH-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001373157865 896951854 /nfs/dbraw/zinc/95/18/54/896951854.db2.gz WRUGXZBXBKHVMH-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001373157865 896951858 /nfs/dbraw/zinc/95/18/58/896951858.db2.gz WRUGXZBXBKHVMH-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001373157865 896951863 /nfs/dbraw/zinc/95/18/63/896951863.db2.gz WRUGXZBXBKHVMH-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001373536095 897043113 /nfs/dbraw/zinc/04/31/13/897043113.db2.gz DQJFJNYITCFKTA-WCQYABFASA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001373536095 897043121 /nfs/dbraw/zinc/04/31/21/897043121.db2.gz DQJFJNYITCFKTA-WCQYABFASA-N 2 1 296.415 -0.360 20 0 CBADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001373605696 897069745 /nfs/dbraw/zinc/06/97/45/897069745.db2.gz VTEPMBCDJSVHHE-RWMBFGLXSA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001373605696 897069765 /nfs/dbraw/zinc/06/97/65/897069765.db2.gz VTEPMBCDJSVHHE-RWMBFGLXSA-N 2 1 296.415 -0.348 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001373615113 897072262 /nfs/dbraw/zinc/07/22/62/897072262.db2.gz NQOWIXFBHZRZDR-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001373646258 897085792 /nfs/dbraw/zinc/08/57/92/897085792.db2.gz GQMUZYDIRVIGFC-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001373646258 897085808 /nfs/dbraw/zinc/08/58/08/897085808.db2.gz GQMUZYDIRVIGFC-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001373646258 897085825 /nfs/dbraw/zinc/08/58/25/897085825.db2.gz GQMUZYDIRVIGFC-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001373646258 897085836 /nfs/dbraw/zinc/08/58/36/897085836.db2.gz GQMUZYDIRVIGFC-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001373646261 897086517 /nfs/dbraw/zinc/08/65/17/897086517.db2.gz GQMUZYDIRVIGFC-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001373646261 897086530 /nfs/dbraw/zinc/08/65/30/897086530.db2.gz GQMUZYDIRVIGFC-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001373646261 897086540 /nfs/dbraw/zinc/08/65/40/897086540.db2.gz GQMUZYDIRVIGFC-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001373646261 897086549 /nfs/dbraw/zinc/08/65/49/897086549.db2.gz GQMUZYDIRVIGFC-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001373683263 897094292 /nfs/dbraw/zinc/09/42/92/897094292.db2.gz NQOWIXFBHZRZDR-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CCN(CC(=O)NC)C1 ZINC001373709827 897100083 /nfs/dbraw/zinc/10/00/83/897100083.db2.gz IZQHJCALUZUBTJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001373709827 897100094 /nfs/dbraw/zinc/10/00/94/897100094.db2.gz IZQHJCALUZUBTJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001373709827 897100102 /nfs/dbraw/zinc/10/01/02/897100102.db2.gz IZQHJCALUZUBTJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001373709827 897100113 /nfs/dbraw/zinc/10/01/13/897100113.db2.gz IZQHJCALUZUBTJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001373709827 897100123 /nfs/dbraw/zinc/10/01/23/897100123.db2.gz IZQHJCALUZUBTJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001373844105 897130101 /nfs/dbraw/zinc/13/01/01/897130101.db2.gz UTBDAEQLZAWJQK-LLVKDONJSA-N 2 1 282.388 -0.416 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001373834668 897130265 /nfs/dbraw/zinc/13/02/65/897130265.db2.gz XIKYKGPAGRWLIZ-GHMZBOCLSA-N 2 1 295.391 -0.854 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001373834668 897130275 /nfs/dbraw/zinc/13/02/75/897130275.db2.gz XIKYKGPAGRWLIZ-GHMZBOCLSA-N 2 1 295.391 -0.854 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001373844106 897131050 /nfs/dbraw/zinc/13/10/50/897131050.db2.gz UTBDAEQLZAWJQK-NSHDSACASA-N 2 1 282.388 -0.416 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374325813 897209175 /nfs/dbraw/zinc/20/91/75/897209175.db2.gz JNWBBEMRIXFWAR-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374325813 897209195 /nfs/dbraw/zinc/20/91/95/897209195.db2.gz JNWBBEMRIXFWAR-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(N)=O ZINC001374424004 897223506 /nfs/dbraw/zinc/22/35/06/897223506.db2.gz GFRKRMBCOBTAOO-GFCCVEGCSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCCNC1=O)[NH+](C)C ZINC001374552605 897257605 /nfs/dbraw/zinc/25/76/05/897257605.db2.gz RGEWXAYUQZWVQX-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCCNC1=O)[NH+](C)C ZINC001374552605 897257618 /nfs/dbraw/zinc/25/76/18/897257618.db2.gz RGEWXAYUQZWVQX-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)co1 ZINC001374679035 897341379 /nfs/dbraw/zinc/34/13/79/897341379.db2.gz WDMMHXVQGQAISV-AAEUAGOBSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)co1 ZINC001374679035 897341394 /nfs/dbraw/zinc/34/13/94/897341394.db2.gz WDMMHXVQGQAISV-AAEUAGOBSA-N 2 1 296.371 -0.499 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374811373 897398762 /nfs/dbraw/zinc/39/87/62/897398762.db2.gz VFQXLJQYSGWURJ-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374811373 897398786 /nfs/dbraw/zinc/39/87/86/897398786.db2.gz VFQXLJQYSGWURJ-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001374888593 897422615 /nfs/dbraw/zinc/42/26/15/897422615.db2.gz DSWJMINKDNNYBZ-SDDRHHMPSA-N 2 1 284.404 -0.443 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001374928362 897433207 /nfs/dbraw/zinc/43/32/07/897433207.db2.gz NPQXEPLDZKHUBB-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)CC[N@H+]1C ZINC001375225817 897498417 /nfs/dbraw/zinc/49/84/17/897498417.db2.gz TZMJRJKBCCZOAT-YUSALJHKSA-N 2 1 282.388 -0.704 20 0 CBADMP NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001375435657 897542888 /nfs/dbraw/zinc/54/28/88/897542888.db2.gz JEMGTTXPZQZUHK-NWDGAFQWSA-N 2 1 294.399 -0.273 20 0 CBADMP CC[C@@H]([NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1)C(N)=O ZINC001375489730 897551530 /nfs/dbraw/zinc/55/15/30/897551530.db2.gz HBZFWJAGWBXBRR-NWDGAFQWSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[C@H]([NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1)C(N)=O ZINC001375489726 897553585 /nfs/dbraw/zinc/55/35/85/897553585.db2.gz HBZFWJAGWBXBRR-NEPJUHHUSA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001375574219 897570756 /nfs/dbraw/zinc/57/07/56/897570756.db2.gz GGSQGESYKNKNRB-YNEHKIRRSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001375759110 897603038 /nfs/dbraw/zinc/60/30/38/897603038.db2.gz ZEHTVWFYQJPGHF-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001375843412 897614250 /nfs/dbraw/zinc/61/42/50/897614250.db2.gz OASPXQQBVJUPSI-SWLSCSKDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001375843412 897614258 /nfs/dbraw/zinc/61/42/58/897614258.db2.gz OASPXQQBVJUPSI-SWLSCSKDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCF)C2)C1 ZINC001376087602 897650311 /nfs/dbraw/zinc/65/03/11/897650311.db2.gz GVEMRGFUXWVVPV-AAEUAGOBSA-N 2 1 273.352 -0.539 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCF)C2)C1 ZINC001376087602 897650317 /nfs/dbraw/zinc/65/03/17/897650317.db2.gz GVEMRGFUXWVVPV-AAEUAGOBSA-N 2 1 273.352 -0.539 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)C1 ZINC001376087602 897650322 /nfs/dbraw/zinc/65/03/22/897650322.db2.gz GVEMRGFUXWVVPV-AAEUAGOBSA-N 2 1 273.352 -0.539 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)C1 ZINC001376087602 897650326 /nfs/dbraw/zinc/65/03/26/897650326.db2.gz GVEMRGFUXWVVPV-AAEUAGOBSA-N 2 1 273.352 -0.539 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001376097497 897651788 /nfs/dbraw/zinc/65/17/88/897651788.db2.gz URNHMVGCVAYPJX-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001376097497 897651797 /nfs/dbraw/zinc/65/17/97/897651797.db2.gz URNHMVGCVAYPJX-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376097497 897651808 /nfs/dbraw/zinc/65/18/08/897651808.db2.gz URNHMVGCVAYPJX-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001376102002 897651855 /nfs/dbraw/zinc/65/18/55/897651855.db2.gz DJXHMQOWMRNNHT-UHFFFAOYSA-N 2 1 279.388 -0.055 20 0 CBADMP CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCOC)C1)[NH+](C)C ZINC001376100122 897653057 /nfs/dbraw/zinc/65/30/57/897653057.db2.gz ZSPPETSDOXMCHJ-OCCSQVGLSA-N 2 1 287.404 -0.474 20 0 CBADMP CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001376156535 897675169 /nfs/dbraw/zinc/67/51/69/897675169.db2.gz VHUVAKHEVHSNAT-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001376156535 897675176 /nfs/dbraw/zinc/67/51/76/897675176.db2.gz VHUVAKHEVHSNAT-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376151049 897675902 /nfs/dbraw/zinc/67/59/02/897675902.db2.gz LTCJHXLNJZNXOP-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376151049 897675908 /nfs/dbraw/zinc/67/59/08/897675908.db2.gz LTCJHXLNJZNXOP-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001376156787 897677207 /nfs/dbraw/zinc/67/72/07/897677207.db2.gz MNWREPYLDUFFCW-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001376152497 897677323 /nfs/dbraw/zinc/67/73/23/897677323.db2.gz NYHYTTXUERFQGT-GFCCVEGCSA-N 2 1 280.376 -0.580 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]([NH2+][C@H](C)C(N)=O)C1CC1 ZINC001376276679 897703340 /nfs/dbraw/zinc/70/33/40/897703340.db2.gz KHKBJYAZCWIBEV-ZYHUDNBSSA-N 2 1 284.404 -0.315 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001376418244 897731154 /nfs/dbraw/zinc/73/11/54/897731154.db2.gz NWRUOVDNXIMDDQ-TXEJJXNPSA-N 2 1 282.388 -0.796 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001376418244 897731160 /nfs/dbraw/zinc/73/11/60/897731160.db2.gz NWRUOVDNXIMDDQ-TXEJJXNPSA-N 2 1 282.388 -0.796 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001376418244 897731161 /nfs/dbraw/zinc/73/11/61/897731161.db2.gz NWRUOVDNXIMDDQ-TXEJJXNPSA-N 2 1 282.388 -0.796 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001376445261 897737068 /nfs/dbraw/zinc/73/70/68/897737068.db2.gz VRTCODXNRZTBTM-RVMXOQNASA-N 2 1 285.388 -0.411 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001376445261 897737078 /nfs/dbraw/zinc/73/70/78/897737078.db2.gz VRTCODXNRZTBTM-RVMXOQNASA-N 2 1 285.388 -0.411 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001376458339 897741790 /nfs/dbraw/zinc/74/17/90/897741790.db2.gz ACARQWULGIABFD-FRRDWIJNSA-N 2 1 296.415 -0.156 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001376458349 897741973 /nfs/dbraw/zinc/74/19/73/897741973.db2.gz ACARQWULGIABFD-XQQFMLRXSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1)[NH+](C)C ZINC001376469166 897750105 /nfs/dbraw/zinc/75/01/05/897750105.db2.gz IZEJOWOGUBVHQI-NTZNESFSSA-N 2 1 294.403 -0.108 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001376470738 897751132 /nfs/dbraw/zinc/75/11/32/897751132.db2.gz UHANCAGGYSLMJB-RQJABVFESA-N 2 1 299.415 -0.285 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376488494 897757732 /nfs/dbraw/zinc/75/77/32/897757732.db2.gz GCRDZPKAOJQRLE-IGQOVBAYSA-N 2 1 299.415 -0.428 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001376512599 897764362 /nfs/dbraw/zinc/76/43/62/897764362.db2.gz OBTIGVFHOMMPTD-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376609650 897784736 /nfs/dbraw/zinc/78/47/36/897784736.db2.gz LRUNNKWCQXGZLI-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C1CC1 ZINC001376696011 897810060 /nfs/dbraw/zinc/81/00/60/897810060.db2.gz CBMFZIUQAXOOGN-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C1CC1 ZINC001376696003 897811394 /nfs/dbraw/zinc/81/13/94/897811394.db2.gz CBMFZIUQAXOOGN-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(N)=O)CC[N@H+]1C ZINC001376735042 897827299 /nfs/dbraw/zinc/82/72/99/897827299.db2.gz WUTJQVBRCFWVET-OUAUKWLOSA-N 2 1 270.377 -0.704 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cnnn1C ZINC001376737826 897828717 /nfs/dbraw/zinc/82/87/17/897828717.db2.gz FFDCKDOBGKEUNG-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001376735104 897828745 /nfs/dbraw/zinc/82/87/45/897828745.db2.gz XEZAPWOJOGCASO-YNEHKIRRSA-N 2 1 298.431 -0.055 20 0 CBADMP C[C@@H](O)C[NH2+][C@@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001376750698 897833366 /nfs/dbraw/zinc/83/33/66/897833366.db2.gz FWVOTEPNDJPVLY-VHSXEESVSA-N 2 1 284.360 -0.175 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001376767237 897840451 /nfs/dbraw/zinc/84/04/51/897840451.db2.gz UKXNDPTZEUEPCK-AAEUAGOBSA-N 2 1 294.403 -0.106 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001376788616 897846479 /nfs/dbraw/zinc/84/64/79/897846479.db2.gz CTIXSHFHPZSDGZ-AVGNSLFASA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001376803342 897852353 /nfs/dbraw/zinc/85/23/53/897852353.db2.gz PASLRXBBFJEYOR-DGCLKSJQSA-N 2 1 296.419 -0.004 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001376851612 897866972 /nfs/dbraw/zinc/86/69/72/897866972.db2.gz DRBREARTLIRACS-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001376851499 897867370 /nfs/dbraw/zinc/86/73/70/897867370.db2.gz DKNLWXJTRBCBFQ-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001376851499 897867374 /nfs/dbraw/zinc/86/73/74/897867374.db2.gz DKNLWXJTRBCBFQ-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001376851607 897868770 /nfs/dbraw/zinc/86/87/70/897868770.db2.gz DRBREARTLIRACS-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001376885403 897879916 /nfs/dbraw/zinc/87/99/16/897879916.db2.gz RXIHGMRYZHWODE-QWRGUYRKSA-N 2 1 280.376 -0.639 20 0 CBADMP CN(CCC[N@@H+](C)CC(=O)N1CCC1)C(=O)CC[NH+](C)C ZINC001376969671 897905008 /nfs/dbraw/zinc/90/50/08/897905008.db2.gz AZEYLUYEVSSOSR-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC(N)=O)C1 ZINC001376991926 897906723 /nfs/dbraw/zinc/90/67/23/897906723.db2.gz DCFZYEOIPQACKB-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC(N)=O)C1 ZINC001376991926 897906736 /nfs/dbraw/zinc/90/67/36/897906736.db2.gz DCFZYEOIPQACKB-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001376991926 897906747 /nfs/dbraw/zinc/90/67/47/897906747.db2.gz DCFZYEOIPQACKB-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001376991926 897906759 /nfs/dbraw/zinc/90/67/59/897906759.db2.gz DCFZYEOIPQACKB-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001377020675 897913627 /nfs/dbraw/zinc/91/36/27/897913627.db2.gz REBBTEJXBAJDIV-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377020675 897913635 /nfs/dbraw/zinc/91/36/35/897913635.db2.gz REBBTEJXBAJDIV-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377020675 897913644 /nfs/dbraw/zinc/91/36/44/897913644.db2.gz REBBTEJXBAJDIV-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001377017348 897914221 /nfs/dbraw/zinc/91/42/21/897914221.db2.gz IWEKGEYAENNJQV-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001377017348 897914229 /nfs/dbraw/zinc/91/42/29/897914229.db2.gz IWEKGEYAENNJQV-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377017348 897914236 /nfs/dbraw/zinc/91/42/36/897914236.db2.gz IWEKGEYAENNJQV-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001377026494 897914596 /nfs/dbraw/zinc/91/45/96/897914596.db2.gz ULOCBWFHWYNNGB-FRRDWIJNSA-N 2 1 298.431 -0.053 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001377126747 897935189 /nfs/dbraw/zinc/93/51/89/897935189.db2.gz DTGIMTXETGQHOB-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001377126747 897935195 /nfs/dbraw/zinc/93/51/95/897935195.db2.gz DTGIMTXETGQHOB-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001377126747 897935203 /nfs/dbraw/zinc/93/52/03/897935203.db2.gz DTGIMTXETGQHOB-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CN1CCC[C@@H]([N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001377261335 897989007 /nfs/dbraw/zinc/98/90/07/897989007.db2.gz OETFMAJLTPEOLV-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CCC[C@@H]([N@@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001377261335 897989022 /nfs/dbraw/zinc/98/90/22/897989022.db2.gz OETFMAJLTPEOLV-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CCC[C@@H]([NH+](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001377261335 897989047 /nfs/dbraw/zinc/98/90/47/897989047.db2.gz OETFMAJLTPEOLV-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CCC[C@@H]([NH+](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001377261335 897989060 /nfs/dbraw/zinc/98/90/60/897989060.db2.gz OETFMAJLTPEOLV-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CCC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001377261326 897990702 /nfs/dbraw/zinc/99/07/02/897990702.db2.gz OETFMAJLTPEOLV-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CCC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001377261326 897990713 /nfs/dbraw/zinc/99/07/13/897990713.db2.gz OETFMAJLTPEOLV-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CCC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001377261326 897990725 /nfs/dbraw/zinc/99/07/25/897990725.db2.gz OETFMAJLTPEOLV-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CCC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001377261326 897990736 /nfs/dbraw/zinc/99/07/36/897990736.db2.gz OETFMAJLTPEOLV-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCCNC1=O ZINC001377277951 897999874 /nfs/dbraw/zinc/99/98/74/897999874.db2.gz VFODTNRYPWGFOH-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCCNC1=O ZINC001377277951 897999881 /nfs/dbraw/zinc/99/98/81/897999881.db2.gz VFODTNRYPWGFOH-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001377277951 897999889 /nfs/dbraw/zinc/99/98/89/897999889.db2.gz VFODTNRYPWGFOH-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001377277951 897999895 /nfs/dbraw/zinc/99/98/95/897999895.db2.gz VFODTNRYPWGFOH-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+](CCNC(=O)CC[NH+](C)C)[C@@H](C)C(=O)N(C)C ZINC001377336460 898013885 /nfs/dbraw/zinc/01/38/85/898013885.db2.gz HEDRAQNFLPLBLZ-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)[C@@H](C)C(=O)N(C)C ZINC001377336460 898013891 /nfs/dbraw/zinc/01/38/91/898013891.db2.gz HEDRAQNFLPLBLZ-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](CC)[C@@H]1CCNC1=O)[NH+](C)C ZINC001377338973 898014180 /nfs/dbraw/zinc/01/41/80/898014180.db2.gz WHGFCPYWVAITRW-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)C(N)=O ZINC001377341383 898019756 /nfs/dbraw/zinc/01/97/56/898019756.db2.gz UFWGLECDYMYHKJ-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)C(N)=O ZINC001377341383 898019768 /nfs/dbraw/zinc/01/97/68/898019768.db2.gz UFWGLECDYMYHKJ-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001377395827 898035471 /nfs/dbraw/zinc/03/54/71/898035471.db2.gz DSRSVFHLPHSIOL-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001377395827 898035484 /nfs/dbraw/zinc/03/54/84/898035484.db2.gz DSRSVFHLPHSIOL-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001377395827 898035494 /nfs/dbraw/zinc/03/54/94/898035494.db2.gz DSRSVFHLPHSIOL-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001377395827 898035507 /nfs/dbraw/zinc/03/55/07/898035507.db2.gz DSRSVFHLPHSIOL-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001377414082 898038285 /nfs/dbraw/zinc/03/82/85/898038285.db2.gz GGXUSQZUXRUPGB-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001377456150 898052633 /nfs/dbraw/zinc/05/26/33/898052633.db2.gz SPJMBGIEGFQAKT-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001377470611 898057074 /nfs/dbraw/zinc/05/70/74/898057074.db2.gz IVEKTGGAPVOYMI-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001377471319 898057934 /nfs/dbraw/zinc/05/79/34/898057934.db2.gz KJHBJKNFEBPPNE-JQWIXIFHSA-N 2 1 293.371 -0.497 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001377471319 898057954 /nfs/dbraw/zinc/05/79/54/898057954.db2.gz KJHBJKNFEBPPNE-JQWIXIFHSA-N 2 1 293.371 -0.497 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001377465349 898059193 /nfs/dbraw/zinc/05/91/93/898059193.db2.gz BLNRGHJMZOZMNK-CMPLNLGQSA-N 2 1 295.387 -0.190 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001377551806 898079031 /nfs/dbraw/zinc/07/90/31/898079031.db2.gz QRWCXFGXWKBBKT-GFCCVEGCSA-N 2 1 285.388 -0.984 20 0 CBADMP C[C@H](C(N)=O)[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001377557039 898085731 /nfs/dbraw/zinc/08/57/31/898085731.db2.gz HNECPGKOFFDONM-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001377557039 898085734 /nfs/dbraw/zinc/08/57/34/898085734.db2.gz HNECPGKOFFDONM-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001377557039 898085743 /nfs/dbraw/zinc/08/57/43/898085743.db2.gz HNECPGKOFFDONM-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001377557039 898085754 /nfs/dbraw/zinc/08/57/54/898085754.db2.gz HNECPGKOFFDONM-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001377578308 898093903 /nfs/dbraw/zinc/09/39/03/898093903.db2.gz GACQEIOCKMFCEX-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001377589120 898096973 /nfs/dbraw/zinc/09/69/73/898096973.db2.gz HOLKWQXSMCLVJQ-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@H]1CCCNC1=O ZINC001377589838 898098915 /nfs/dbraw/zinc/09/89/15/898098915.db2.gz CIWXYKSLZNGESV-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CCC[NH+](C)C ZINC001377952903 898177426 /nfs/dbraw/zinc/17/74/26/898177426.db2.gz JFROTESLBHCSLI-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001377993448 898193326 /nfs/dbraw/zinc/19/33/26/898193326.db2.gz ABUZWIAJEPGCBG-OCCSQVGLSA-N 2 1 299.415 -0.617 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001378062206 898223274 /nfs/dbraw/zinc/22/32/74/898223274.db2.gz ARGDNBXAQLCXNJ-JSGCOSHPSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001378062206 898223291 /nfs/dbraw/zinc/22/32/91/898223291.db2.gz ARGDNBXAQLCXNJ-JSGCOSHPSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001378120344 898245278 /nfs/dbraw/zinc/24/52/78/898245278.db2.gz FYETWCYAUMFKPZ-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001378120344 898245294 /nfs/dbraw/zinc/24/52/94/898245294.db2.gz FYETWCYAUMFKPZ-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN([C@@H](C)C(=O)N(C)C)C1 ZINC001378135022 898250803 /nfs/dbraw/zinc/25/08/03/898250803.db2.gz GEAVLVMUMLAGAA-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001378135022 898250811 /nfs/dbraw/zinc/25/08/11/898250811.db2.gz GEAVLVMUMLAGAA-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001378135022 898250824 /nfs/dbraw/zinc/25/08/24/898250824.db2.gz GEAVLVMUMLAGAA-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001378135022 898250849 /nfs/dbraw/zinc/25/08/49/898250849.db2.gz GEAVLVMUMLAGAA-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001378138116 898251987 /nfs/dbraw/zinc/25/19/87/898251987.db2.gz YFOGMUCHOUUPQY-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001378138116 898252001 /nfs/dbraw/zinc/25/20/01/898252001.db2.gz YFOGMUCHOUUPQY-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378162587 898260462 /nfs/dbraw/zinc/26/04/62/898260462.db2.gz CJIGFMRJXXDWCC-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)C[NH+]1CCCC1 ZINC001454623551 914237141 /nfs/dbraw/zinc/23/71/41/914237141.db2.gz SEQCNTUENIFTLG-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001378209979 898279535 /nfs/dbraw/zinc/27/95/35/898279535.db2.gz YJCJGRDHNSPMFZ-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001378209979 898279551 /nfs/dbraw/zinc/27/95/51/898279551.db2.gz YJCJGRDHNSPMFZ-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)C ZINC001378261224 898295107 /nfs/dbraw/zinc/29/51/07/898295107.db2.gz XJIKRZFIUCSPEY-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ncnn1C ZINC001378329724 898314767 /nfs/dbraw/zinc/31/47/67/898314767.db2.gz CJWKZIGCQJWVJK-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)[NH2+]CCO ZINC001378333795 898316872 /nfs/dbraw/zinc/31/68/72/898316872.db2.gz DRXRIOKEMZPZPQ-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)[NH2+]CCO ZINC001378333795 898316878 /nfs/dbraw/zinc/31/68/78/898316878.db2.gz DRXRIOKEMZPZPQ-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@@H](C)C(N)=O ZINC001378336618 898317792 /nfs/dbraw/zinc/31/77/92/898317792.db2.gz HXWZWMBBUCTCGY-WDEREUQCSA-N 2 1 272.393 -0.315 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001378344195 898320469 /nfs/dbraw/zinc/32/04/69/898320469.db2.gz OZSWNOHVJOMSDZ-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001378516592 898342431 /nfs/dbraw/zinc/34/24/31/898342431.db2.gz YZBUGMPXQRCSQC-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC001378625732 898375153 /nfs/dbraw/zinc/37/51/53/898375153.db2.gz OHXBKDOXBKGQTI-AWEZNQCLSA-N 2 1 285.388 -0.766 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC001378625732 898375170 /nfs/dbraw/zinc/37/51/70/898375170.db2.gz OHXBKDOXBKGQTI-AWEZNQCLSA-N 2 1 285.388 -0.766 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378643154 898378358 /nfs/dbraw/zinc/37/83/58/898378358.db2.gz JXWADJIEOPKLHE-CHWSQXEVSA-N 2 1 298.431 -0.242 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001378652069 898380873 /nfs/dbraw/zinc/38/08/73/898380873.db2.gz UNBGTDDPDJOFHV-GHMZBOCLSA-N 2 1 295.387 -0.332 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001378652083 898382240 /nfs/dbraw/zinc/38/22/40/898382240.db2.gz UNBGTDDPDJOFHV-QWRGUYRKSA-N 2 1 295.387 -0.332 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NC)C[C@H]21 ZINC001378734773 898399224 /nfs/dbraw/zinc/39/92/24/898399224.db2.gz VJIVEWSBWDLGKA-XYYAHUGASA-N 2 1 296.415 -0.632 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001378734773 898399240 /nfs/dbraw/zinc/39/92/40/898399240.db2.gz VJIVEWSBWDLGKA-XYYAHUGASA-N 2 1 296.415 -0.632 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001378734773 898399257 /nfs/dbraw/zinc/39/92/57/898399257.db2.gz VJIVEWSBWDLGKA-XYYAHUGASA-N 2 1 296.415 -0.632 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001378780256 898408564 /nfs/dbraw/zinc/40/85/64/898408564.db2.gz AMSQXCRUEWRKCG-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001378779556 898410662 /nfs/dbraw/zinc/41/06/62/898410662.db2.gz XCRZFOIIONZYGC-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001378971444 898437303 /nfs/dbraw/zinc/43/73/03/898437303.db2.gz WBEGQKUAUOIEOE-NEPJUHHUSA-N 2 1 284.404 -0.443 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]([NH2+]CC(N)=O)C(C)C ZINC001378961642 898438432 /nfs/dbraw/zinc/43/84/32/898438432.db2.gz UZTIQMCUCUARNN-GFCCVEGCSA-N 2 1 295.387 -0.203 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001379036392 898447629 /nfs/dbraw/zinc/44/76/29/898447629.db2.gz VQRFFFIMRIYTRB-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001379036392 898447635 /nfs/dbraw/zinc/44/76/35/898447635.db2.gz VQRFFFIMRIYTRB-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001379036392 898447645 /nfs/dbraw/zinc/44/76/45/898447645.db2.gz VQRFFFIMRIYTRB-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001379036392 898447655 /nfs/dbraw/zinc/44/76/55/898447655.db2.gz VQRFFFIMRIYTRB-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)[C@H]1CCC[NH+]1C ZINC001379034714 898447708 /nfs/dbraw/zinc/44/77/08/898447708.db2.gz QVWXSWMDVRUXKE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)[C@H]1CCC[NH+]1C ZINC001379034714 898447721 /nfs/dbraw/zinc/44/77/21/898447721.db2.gz QVWXSWMDVRUXKE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCCNC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379034714 898447728 /nfs/dbraw/zinc/44/77/28/898447728.db2.gz QVWXSWMDVRUXKE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCCNC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001379034714 898447735 /nfs/dbraw/zinc/44/77/35/898447735.db2.gz QVWXSWMDVRUXKE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001379088195 898460690 /nfs/dbraw/zinc/46/06/90/898460690.db2.gz WGEJJPVMVJELAJ-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001379100295 898464952 /nfs/dbraw/zinc/46/49/52/898464952.db2.gz GGVFKSNGAVOXRQ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)[C@H]2CCNC2=O)C1 ZINC001379100864 898466798 /nfs/dbraw/zinc/46/67/98/898466798.db2.gz UAXGCARXSUSCLG-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)[C@H]2CCNC2=O)C1 ZINC001379100864 898466804 /nfs/dbraw/zinc/46/68/04/898466804.db2.gz UAXGCARXSUSCLG-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001379100864 898466808 /nfs/dbraw/zinc/46/68/08/898466808.db2.gz UAXGCARXSUSCLG-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001379100864 898466812 /nfs/dbraw/zinc/46/68/12/898466812.db2.gz UAXGCARXSUSCLG-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cscn2)C1 ZINC001379292007 898540563 /nfs/dbraw/zinc/54/05/63/898540563.db2.gz UAUXMRQAKBAQEL-CMPLNLGQSA-N 2 1 298.412 -0.339 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cscn2)C1 ZINC001379292007 898540574 /nfs/dbraw/zinc/54/05/74/898540574.db2.gz UAUXMRQAKBAQEL-CMPLNLGQSA-N 2 1 298.412 -0.339 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cscn2)C1 ZINC001379292011 898540768 /nfs/dbraw/zinc/54/07/68/898540768.db2.gz UAUXMRQAKBAQEL-JQWIXIFHSA-N 2 1 298.412 -0.339 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cscn2)C1 ZINC001379292011 898540783 /nfs/dbraw/zinc/54/07/83/898540783.db2.gz UAUXMRQAKBAQEL-JQWIXIFHSA-N 2 1 298.412 -0.339 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001379350874 898568810 /nfs/dbraw/zinc/56/88/10/898568810.db2.gz XKWZMLHLFKARDN-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001379359885 898576877 /nfs/dbraw/zinc/57/68/77/898576877.db2.gz SCDRTFAFRBBZTM-GHMZBOCLSA-N 2 1 295.387 -0.024 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001379414681 898607934 /nfs/dbraw/zinc/60/79/34/898607934.db2.gz GJMUKFFTSLZFFY-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001379414681 898607944 /nfs/dbraw/zinc/60/79/44/898607944.db2.gz GJMUKFFTSLZFFY-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001379450516 898617026 /nfs/dbraw/zinc/61/70/26/898617026.db2.gz MOEYPUXRIKEVBG-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379450516 898617033 /nfs/dbraw/zinc/61/70/33/898617033.db2.gz MOEYPUXRIKEVBG-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001379450515 898618113 /nfs/dbraw/zinc/61/81/13/898618113.db2.gz MOEYPUXRIKEVBG-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379450515 898618120 /nfs/dbraw/zinc/61/81/20/898618120.db2.gz MOEYPUXRIKEVBG-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001379514079 898650126 /nfs/dbraw/zinc/65/01/26/898650126.db2.gz DEVZRRQAFUHEAV-UWVGGRQHSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001379530683 898658018 /nfs/dbraw/zinc/65/80/18/898658018.db2.gz GCOHLDSWADGTCG-GARJFASQSA-N 2 1 295.391 -0.540 20 0 CBADMP C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001379530683 898658026 /nfs/dbraw/zinc/65/80/26/898658026.db2.gz GCOHLDSWADGTCG-GARJFASQSA-N 2 1 295.391 -0.540 20 0 CBADMP C[C@H]1[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CC[NH+](C)C ZINC001379556531 898665664 /nfs/dbraw/zinc/66/56/64/898665664.db2.gz RNIKJLAUCRBAHR-NWDGAFQWSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001379579722 898673172 /nfs/dbraw/zinc/67/31/72/898673172.db2.gz KWDSWMMUWRMIKW-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001379583070 898674829 /nfs/dbraw/zinc/67/48/29/898674829.db2.gz YPGDQPNUALEMNR-JTQLQIEISA-N 2 1 298.391 -0.956 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379600805 898677101 /nfs/dbraw/zinc/67/71/01/898677101.db2.gz QBRLNEREWCMRSR-SRVKXCTJSA-N 2 1 273.377 -0.960 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001379640346 898691885 /nfs/dbraw/zinc/69/18/85/898691885.db2.gz LLEUZPCSYKFCAP-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001379640346 898691893 /nfs/dbraw/zinc/69/18/93/898691893.db2.gz LLEUZPCSYKFCAP-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001379640346 898691903 /nfs/dbraw/zinc/69/19/03/898691903.db2.gz LLEUZPCSYKFCAP-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001379640346 898691910 /nfs/dbraw/zinc/69/19/10/898691910.db2.gz LLEUZPCSYKFCAP-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379722648 898708924 /nfs/dbraw/zinc/70/89/24/898708924.db2.gz ILDBYXLDKWMFKR-QWRGUYRKSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379722648 898708929 /nfs/dbraw/zinc/70/89/29/898708929.db2.gz ILDBYXLDKWMFKR-QWRGUYRKSA-N 2 1 284.404 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001379735987 898711330 /nfs/dbraw/zinc/71/13/30/898711330.db2.gz UKOZNCYPVUSFMS-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001379787084 898727296 /nfs/dbraw/zinc/72/72/96/898727296.db2.gz UPKRHIZYQQOWJH-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001379787084 898727307 /nfs/dbraw/zinc/72/73/07/898727307.db2.gz UPKRHIZYQQOWJH-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)C(N)=O ZINC001379798792 898731370 /nfs/dbraw/zinc/73/13/70/898731370.db2.gz NQSQBFZREGMVOW-QWRGUYRKSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)C(N)=O ZINC001379798792 898731375 /nfs/dbraw/zinc/73/13/75/898731375.db2.gz NQSQBFZREGMVOW-QWRGUYRKSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001379798792 898731381 /nfs/dbraw/zinc/73/13/81/898731381.db2.gz NQSQBFZREGMVOW-QWRGUYRKSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001379798792 898731386 /nfs/dbraw/zinc/73/13/86/898731386.db2.gz NQSQBFZREGMVOW-QWRGUYRKSA-N 2 1 272.393 -0.363 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001380027532 898791410 /nfs/dbraw/zinc/79/14/10/898791410.db2.gz SLPYHRRHUMRGFX-STQMWFEESA-N 2 1 297.399 -0.720 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001380087505 898804259 /nfs/dbraw/zinc/80/42/59/898804259.db2.gz CYNZJEWZJFGPAU-RYUDHWBXSA-N 2 1 298.431 -0.195 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001380081176 898804808 /nfs/dbraw/zinc/80/48/08/898804808.db2.gz CPEPOUNSLBZCNA-GFCCVEGCSA-N 2 1 296.415 -0.156 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1 ZINC001380159916 898826961 /nfs/dbraw/zinc/82/69/61/898826961.db2.gz NTLGUWKQWCLERW-JTQLQIEISA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001380180593 898832057 /nfs/dbraw/zinc/83/20/57/898832057.db2.gz ZRWGBLDPKCVSEJ-WXRRBKDZSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380350089 898861731 /nfs/dbraw/zinc/86/17/31/898861731.db2.gz CREYYEZIRGNODQ-DOMZBBRYSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](CC(N)=O)C1 ZINC001380469638 898877866 /nfs/dbraw/zinc/87/78/66/898877866.db2.gz IQVXDXXPUDDZKZ-CQSZACIVSA-N 2 1 284.404 -0.358 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@@H+](CC(N)=O)C1 ZINC001380469638 898877876 /nfs/dbraw/zinc/87/78/76/898877876.db2.gz IQVXDXXPUDDZKZ-CQSZACIVSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001380539426 898895190 /nfs/dbraw/zinc/89/51/90/898895190.db2.gz UMRLWPKGGPRNGG-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001380539426 898895202 /nfs/dbraw/zinc/89/52/02/898895202.db2.gz UMRLWPKGGPRNGG-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001380539426 898895213 /nfs/dbraw/zinc/89/52/13/898895213.db2.gz UMRLWPKGGPRNGG-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001380562284 898900710 /nfs/dbraw/zinc/90/07/10/898900710.db2.gz BTYVIQIIELEIER-IUODEOHRSA-N 2 1 297.399 -0.984 20 0 CBADMP CC(C)[NH+]1CC(O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001380639337 898928280 /nfs/dbraw/zinc/92/82/80/898928280.db2.gz ZKCMJYVXSSMQJU-UHFFFAOYSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001380741032 898946315 /nfs/dbraw/zinc/94/63/15/898946315.db2.gz MIXQZTRZDYRLPJ-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001380741032 898946327 /nfs/dbraw/zinc/94/63/27/898946327.db2.gz MIXQZTRZDYRLPJ-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001380741032 898946333 /nfs/dbraw/zinc/94/63/33/898946333.db2.gz MIXQZTRZDYRLPJ-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001380741032 898946340 /nfs/dbraw/zinc/94/63/40/898946340.db2.gz MIXQZTRZDYRLPJ-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC(N)=O)CC2)C1 ZINC001380799592 898952839 /nfs/dbraw/zinc/95/28/39/898952839.db2.gz PSKSKTQMGXHJHM-JHJVBQTASA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCC2)CC[N@H+]1C ZINC001380859706 898962158 /nfs/dbraw/zinc/96/21/58/898962158.db2.gz XIHVLBRDWOBNLD-GHMZBOCLSA-N 2 1 282.388 -0.560 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)CC[N@H+]1C ZINC001381045182 898988415 /nfs/dbraw/zinc/98/84/15/898988415.db2.gz NPUJXDGFQRIEOR-UMVBOHGHSA-N 2 1 299.415 -0.738 20 0 CBADMP CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001381268143 899020702 /nfs/dbraw/zinc/02/07/02/899020702.db2.gz OIFYTKOQKOUAHK-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001381268143 899020721 /nfs/dbraw/zinc/02/07/21/899020721.db2.gz OIFYTKOQKOUAHK-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1(CO)CC[NH+](CCCO)CC1 ZINC001381255152 899020759 /nfs/dbraw/zinc/02/07/59/899020759.db2.gz PDYSXIZICOJYGP-CYBMUJFWSA-N 2 1 299.415 -0.594 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001381322527 899031105 /nfs/dbraw/zinc/03/11/05/899031105.db2.gz AFHSNOFGPPGBIZ-BPCQOVAHSA-N 2 1 296.415 -0.171 20 0 CBADMP COCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001381509958 899067236 /nfs/dbraw/zinc/06/72/36/899067236.db2.gz TWTNBEDPHGVMSX-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001381509958 899067215 /nfs/dbraw/zinc/06/72/15/899067215.db2.gz TWTNBEDPHGVMSX-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001381509958 899067252 /nfs/dbraw/zinc/06/72/52/899067252.db2.gz TWTNBEDPHGVMSX-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001381509958 899067265 /nfs/dbraw/zinc/06/72/65/899067265.db2.gz TWTNBEDPHGVMSX-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[N@H+](C)[C@@H](C)C(N)=O ZINC001381538573 899075986 /nfs/dbraw/zinc/07/59/86/899075986.db2.gz FSDYZGKWUZWAMP-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[N@@H+](C)[C@@H](C)C(N)=O ZINC001381538573 899075995 /nfs/dbraw/zinc/07/59/95/899075995.db2.gz FSDYZGKWUZWAMP-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CCn1cncn1 ZINC001381624901 899096682 /nfs/dbraw/zinc/09/66/82/899096682.db2.gz YSXFVAKJBDJLJI-CHWSQXEVSA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CCn1cncn1 ZINC001381624901 899096698 /nfs/dbraw/zinc/09/66/98/899096698.db2.gz YSXFVAKJBDJLJI-CHWSQXEVSA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CCn1cncn1 ZINC001381624901 899096713 /nfs/dbraw/zinc/09/67/13/899096713.db2.gz YSXFVAKJBDJLJI-CHWSQXEVSA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001382051026 899146067 /nfs/dbraw/zinc/14/60/67/899146067.db2.gz NQYXRBULVJWLNF-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001382123732 899161647 /nfs/dbraw/zinc/16/16/47/899161647.db2.gz PKIMGGMRCFYMTQ-FRRDWIJNSA-N 2 1 287.404 -0.476 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCC2CC2)C1 ZINC001382196783 899190480 /nfs/dbraw/zinc/19/04/80/899190480.db2.gz UDXQZQJXVOJQNM-OLZOCXBDSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCC2CC2)C1 ZINC001382196783 899190487 /nfs/dbraw/zinc/19/04/87/899190487.db2.gz UDXQZQJXVOJQNM-OLZOCXBDSA-N 2 1 285.388 -0.816 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@H]1C ZINC001382302414 899241740 /nfs/dbraw/zinc/24/17/40/899241740.db2.gz JGGQTCUPHRLBTF-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CN(CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)CC[NH+](C)C ZINC001455305949 914330523 /nfs/dbraw/zinc/33/05/23/914330523.db2.gz BDEMKWCKRJGQCY-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CO[C@@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001382408471 899282806 /nfs/dbraw/zinc/28/28/06/899282806.db2.gz ORYCNSHSHZWLBV-QWHCGFSZSA-N 2 1 298.387 -0.365 20 0 CBADMP CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnon1)[NH+](C)C ZINC001382433415 899292774 /nfs/dbraw/zinc/29/27/74/899292774.db2.gz KCIGELLIFDUYAM-VXGBXAGGSA-N 2 1 299.375 -0.681 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)CC[N@H+]1C ZINC001455323527 914333856 /nfs/dbraw/zinc/33/38/56/914333856.db2.gz FVJFDJZMATWBQJ-XJFOESAGSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)CC[NH+]1C ZINC001455323527 914333874 /nfs/dbraw/zinc/33/38/74/914333874.db2.gz FVJFDJZMATWBQJ-XJFOESAGSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)CC[NH+]1C ZINC001455323527 914333890 /nfs/dbraw/zinc/33/38/90/914333890.db2.gz FVJFDJZMATWBQJ-XJFOESAGSA-N 2 1 281.400 -0.006 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C1CC[NH+](C)CC1 ZINC001382467486 899308668 /nfs/dbraw/zinc/30/86/68/899308668.db2.gz ODUNRJOHHRMOFC-CYBMUJFWSA-N 2 1 287.404 -0.928 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001386791476 899708490 /nfs/dbraw/zinc/70/84/90/899708490.db2.gz JCSONIABPDSKBZ-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001386791476 899708495 /nfs/dbraw/zinc/70/84/95/899708495.db2.gz JCSONIABPDSKBZ-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001386791476 899708500 /nfs/dbraw/zinc/70/85/00/899708500.db2.gz JCSONIABPDSKBZ-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001387099812 899761477 /nfs/dbraw/zinc/76/14/77/899761477.db2.gz AXYZPXFVJOCFMU-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001387758484 899826564 /nfs/dbraw/zinc/82/65/64/899826564.db2.gz ZSDZWQMQMFMPJS-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001388414737 899886557 /nfs/dbraw/zinc/88/65/57/899886557.db2.gz YGRCKYRURMTXCU-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001388645828 899895776 /nfs/dbraw/zinc/89/57/76/899895776.db2.gz IJWMSOHGLINYSF-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001388645828 899895784 /nfs/dbraw/zinc/89/57/84/899895784.db2.gz IJWMSOHGLINYSF-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001388729345 899905490 /nfs/dbraw/zinc/90/54/90/899905490.db2.gz WBIZXHLRGAQSLO-IJLUTSLNSA-N 2 1 282.388 -0.702 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001388736883 899908054 /nfs/dbraw/zinc/90/80/54/899908054.db2.gz UDSMDZVULGMFHV-JHJVBQTASA-N 2 1 296.415 -0.441 20 0 CBADMP CC[C@H](C(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001389406354 900008189 /nfs/dbraw/zinc/00/81/89/900008189.db2.gz DXOZYCVZVQMQGF-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H]([NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1)C(N)=O ZINC001389609933 900049596 /nfs/dbraw/zinc/04/95/96/900049596.db2.gz QPEFJANVTASXNH-MFKMUULPSA-N 2 1 296.415 -0.171 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001389693844 900057739 /nfs/dbraw/zinc/05/77/39/900057739.db2.gz QWLNADARUQPQKV-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001389861084 900086537 /nfs/dbraw/zinc/08/65/37/900086537.db2.gz NAQYBJDFHRRVOW-DCAQKATOSA-N 2 1 282.388 -0.419 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C1)C(N)=O ZINC001390003677 900104380 /nfs/dbraw/zinc/10/43/80/900104380.db2.gz HBQNLNVHIOYAJU-GRYCIOLGSA-N 2 1 284.404 -0.171 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001390014331 900104640 /nfs/dbraw/zinc/10/46/40/900104640.db2.gz OWHYLFABFHHBES-FRRDWIJNSA-N 2 1 296.371 -0.564 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001390025163 900105491 /nfs/dbraw/zinc/10/54/91/900105491.db2.gz GVICUPVYNJLAMH-BETUJISGSA-N 2 1 294.403 -0.145 20 0 CBADMP CC(C)CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001390306347 900132194 /nfs/dbraw/zinc/13/21/94/900132194.db2.gz JHKYTRWDSWKBCT-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001390433872 900159537 /nfs/dbraw/zinc/15/95/37/900159537.db2.gz OAHMYPLCVREMCF-RYUDHWBXSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001390487725 900172683 /nfs/dbraw/zinc/17/26/83/900172683.db2.gz XYQVZBFCKFMWHY-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001390487725 900172691 /nfs/dbraw/zinc/17/26/91/900172691.db2.gz XYQVZBFCKFMWHY-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1cnnn1C ZINC001390504452 900175902 /nfs/dbraw/zinc/17/59/02/900175902.db2.gz GPZKBHYOLKNUHN-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001390514395 900180475 /nfs/dbraw/zinc/18/04/75/900180475.db2.gz AGPRRZKBHMLIFA-ZYHUDNBSSA-N 2 1 293.371 -0.436 20 0 CBADMP CCn1ncc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001390516883 900181445 /nfs/dbraw/zinc/18/14/45/900181445.db2.gz DZIASMGQZZITAW-RYUDHWBXSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001390516883 900181452 /nfs/dbraw/zinc/18/14/52/900181452.db2.gz DZIASMGQZZITAW-RYUDHWBXSA-N 2 1 294.403 -0.156 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001390523506 900183168 /nfs/dbraw/zinc/18/31/68/900183168.db2.gz UJWRUQYTUVMWAL-MWLCHTKSSA-N 2 1 279.344 -0.826 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001390548660 900188100 /nfs/dbraw/zinc/18/81/00/900188100.db2.gz CPDKYLDHJDPQFK-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001390557204 900188798 /nfs/dbraw/zinc/18/87/98/900188798.db2.gz NZBTWDHAIWXYHO-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001390601805 900197340 /nfs/dbraw/zinc/19/73/40/900197340.db2.gz CVHMLMKMROBFCJ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001390635637 900199341 /nfs/dbraw/zinc/19/93/41/900199341.db2.gz IQCXUSWQLUYYAC-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001390635637 900199344 /nfs/dbraw/zinc/19/93/44/900199344.db2.gz IQCXUSWQLUYYAC-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001390635637 900199347 /nfs/dbraw/zinc/19/93/47/900199347.db2.gz IQCXUSWQLUYYAC-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001390635637 900199351 /nfs/dbraw/zinc/19/93/51/900199351.db2.gz IQCXUSWQLUYYAC-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001390720739 900215864 /nfs/dbraw/zinc/21/58/64/900215864.db2.gz ZPJWFDYNXIFRKU-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001390711323 900217107 /nfs/dbraw/zinc/21/71/07/900217107.db2.gz IUSLEGCVCXFRJF-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CN1CC[C@H]([N@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2C)C1=O ZINC001390783504 900243885 /nfs/dbraw/zinc/24/38/85/900243885.db2.gz LJBWJZJITZJIAK-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2C)C1=O ZINC001390783504 900243897 /nfs/dbraw/zinc/24/38/97/900243897.db2.gz LJBWJZJITZJIAK-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([NH+](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001390783504 900243908 /nfs/dbraw/zinc/24/39/08/900243908.db2.gz LJBWJZJITZJIAK-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([NH+](C)CCNC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC001390783504 900243921 /nfs/dbraw/zinc/24/39/21/900243921.db2.gz LJBWJZJITZJIAK-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@@H]1CCN(C)C1=O ZINC001390846265 900268508 /nfs/dbraw/zinc/26/85/08/900268508.db2.gz VFMIUETYECJUJV-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@@H]1CCN(C)C1=O ZINC001390846265 900268523 /nfs/dbraw/zinc/26/85/23/900268523.db2.gz VFMIUETYECJUJV-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001390846265 900268530 /nfs/dbraw/zinc/26/85/30/900268530.db2.gz VFMIUETYECJUJV-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001390846265 900268541 /nfs/dbraw/zinc/26/85/41/900268541.db2.gz VFMIUETYECJUJV-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCN1CC[C@@H]([N@H+](C)CCNC(=O)C[NH+](C)C(C)C)C1=O ZINC001390862408 900273521 /nfs/dbraw/zinc/27/35/21/900273521.db2.gz IPFLRMWJTFFXEX-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN1CC[C@@H]([N@@H+](C)CCNC(=O)C[NH+](C)C(C)C)C1=O ZINC001390862408 900273536 /nfs/dbraw/zinc/27/35/36/900273536.db2.gz IPFLRMWJTFFXEX-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN1CC[C@@H]([NH+](C)CCNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001390862408 900273547 /nfs/dbraw/zinc/27/35/47/900273547.db2.gz IPFLRMWJTFFXEX-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN1CC[C@@H]([NH+](C)CCNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001390862408 900273552 /nfs/dbraw/zinc/27/35/52/900273552.db2.gz IPFLRMWJTFFXEX-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(N)=O ZINC001390911756 900281689 /nfs/dbraw/zinc/28/16/89/900281689.db2.gz ZZVCAINKOQXUMM-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(N)=O ZINC001390911756 900281697 /nfs/dbraw/zinc/28/16/97/900281697.db2.gz ZZVCAINKOQXUMM-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(N)=O ZINC001390911756 900281702 /nfs/dbraw/zinc/28/17/02/900281702.db2.gz ZZVCAINKOQXUMM-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(N)=O ZINC001390911756 900281706 /nfs/dbraw/zinc/28/17/06/900281706.db2.gz ZZVCAINKOQXUMM-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](CC)[C@@H](C)C(=O)NC)[NH+](C)C ZINC001390966136 900285989 /nfs/dbraw/zinc/28/59/89/900285989.db2.gz QMIAREKQALCPIE-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](CC)[C@@H](C)C(=O)NC)[NH+](C)C ZINC001390966136 900286000 /nfs/dbraw/zinc/28/60/00/900286000.db2.gz QMIAREKQALCPIE-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](CC)CC(=O)N1CCC1)[NH+](C)C ZINC001391010949 900294275 /nfs/dbraw/zinc/29/42/75/900294275.db2.gz RSSJNDKRGFRJBK-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](CC)CC(=O)N1CCC1)[NH+](C)C ZINC001391010949 900294283 /nfs/dbraw/zinc/29/42/83/900294283.db2.gz RSSJNDKRGFRJBK-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC(=O)NC ZINC001391066127 900300278 /nfs/dbraw/zinc/30/02/78/900300278.db2.gz RVUQHOKVZUBILQ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1CC(=O)NC ZINC001391066127 900300266 /nfs/dbraw/zinc/30/02/66/900300266.db2.gz RVUQHOKVZUBILQ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC(=O)NC ZINC001391066127 900300290 /nfs/dbraw/zinc/30/02/90/900300290.db2.gz RVUQHOKVZUBILQ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC ZINC001391066127 900300300 /nfs/dbraw/zinc/30/03/00/900300300.db2.gz RVUQHOKVZUBILQ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC ZINC001391066127 900300307 /nfs/dbraw/zinc/30/03/07/900300307.db2.gz RVUQHOKVZUBILQ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001391114371 900312404 /nfs/dbraw/zinc/31/24/04/900312404.db2.gz TVCIGUZNNDMUDX-GXTWGEPZSA-N 2 1 298.431 -0.243 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H](C)C(N)=O ZINC001391135400 900318268 /nfs/dbraw/zinc/31/82/68/900318268.db2.gz JDRIPIDYHIZTKT-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@H](C)C(N)=O ZINC001391135400 900318277 /nfs/dbraw/zinc/31/82/77/900318277.db2.gz JDRIPIDYHIZTKT-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@H](C)C(N)=O ZINC001391135400 900318286 /nfs/dbraw/zinc/31/82/86/900318286.db2.gz JDRIPIDYHIZTKT-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CNC(=O)C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001391177028 900331690 /nfs/dbraw/zinc/33/16/90/900331690.db2.gz XHJDWFLVVVTFDR-UHFFFAOYSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001391177028 900331702 /nfs/dbraw/zinc/33/17/02/900331702.db2.gz XHJDWFLVVVTFDR-UHFFFAOYSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001391200995 900334311 /nfs/dbraw/zinc/33/43/11/900334311.db2.gz QXDAEPIZLMQPBV-UHFFFAOYSA-N 2 1 294.399 -0.591 20 0 CBADMP CNC(=O)C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001391200995 900334319 /nfs/dbraw/zinc/33/43/19/900334319.db2.gz QXDAEPIZLMQPBV-UHFFFAOYSA-N 2 1 294.399 -0.591 20 0 CBADMP C[N@H+](CCO)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001391342492 900354423 /nfs/dbraw/zinc/35/44/23/900354423.db2.gz DOAJZTWXLCDYKX-QWHCGFSZSA-N 2 1 285.388 -0.910 20 0 CBADMP C[N@@H+](CCO)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001391342492 900354431 /nfs/dbraw/zinc/35/44/31/900354431.db2.gz DOAJZTWXLCDYKX-QWHCGFSZSA-N 2 1 285.388 -0.910 20 0 CBADMP C[NH+](CCO)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001391342492 900354446 /nfs/dbraw/zinc/35/44/46/900354446.db2.gz DOAJZTWXLCDYKX-QWHCGFSZSA-N 2 1 285.388 -0.910 20 0 CBADMP C[NH+](CCO)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001391342492 900354454 /nfs/dbraw/zinc/35/44/54/900354454.db2.gz DOAJZTWXLCDYKX-QWHCGFSZSA-N 2 1 285.388 -0.910 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001391334834 900354892 /nfs/dbraw/zinc/35/48/92/900354892.db2.gz LZSJFYFHVFJFAZ-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001391334834 900354902 /nfs/dbraw/zinc/35/49/02/900354902.db2.gz LZSJFYFHVFJFAZ-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001391334834 900354914 /nfs/dbraw/zinc/35/49/14/900354914.db2.gz LZSJFYFHVFJFAZ-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001391354412 900359800 /nfs/dbraw/zinc/35/98/00/900359800.db2.gz PEKMYLRYMINEDR-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001391354412 900359810 /nfs/dbraw/zinc/35/98/10/900359810.db2.gz PEKMYLRYMINEDR-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001391354412 900359821 /nfs/dbraw/zinc/35/98/21/900359821.db2.gz PEKMYLRYMINEDR-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001391354410 900362678 /nfs/dbraw/zinc/36/26/78/900362678.db2.gz PEKMYLRYMINEDR-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001391354410 900362688 /nfs/dbraw/zinc/36/26/88/900362688.db2.gz PEKMYLRYMINEDR-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001391354410 900362699 /nfs/dbraw/zinc/36/26/99/900362699.db2.gz PEKMYLRYMINEDR-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001391559595 900408318 /nfs/dbraw/zinc/40/83/18/900408318.db2.gz AKLZWOKPFDXJDH-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001391559595 900408327 /nfs/dbraw/zinc/40/83/27/900408327.db2.gz AKLZWOKPFDXJDH-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001391590898 900414996 /nfs/dbraw/zinc/41/49/96/900414996.db2.gz BRODZRFFZHFDGE-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001391590898 900415004 /nfs/dbraw/zinc/41/50/04/900415004.db2.gz BRODZRFFZHFDGE-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001391590898 900415013 /nfs/dbraw/zinc/41/50/13/900415013.db2.gz BRODZRFFZHFDGE-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1nnnn1C ZINC001391958893 900473943 /nfs/dbraw/zinc/47/39/43/900473943.db2.gz FLQVAPUVNQOANE-LLVKDONJSA-N 2 1 297.407 -0.608 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001392048224 900499723 /nfs/dbraw/zinc/49/97/23/900499723.db2.gz GTMXULFWWXNSDJ-WDEREUQCSA-N 2 1 295.391 -0.759 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001392048224 900499732 /nfs/dbraw/zinc/49/97/32/900499732.db2.gz GTMXULFWWXNSDJ-WDEREUQCSA-N 2 1 295.391 -0.759 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392129869 900521151 /nfs/dbraw/zinc/52/11/51/900521151.db2.gz HGKHHLUBDFNILQ-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392129869 900521161 /nfs/dbraw/zinc/52/11/61/900521161.db2.gz HGKHHLUBDFNILQ-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392174668 900527939 /nfs/dbraw/zinc/52/79/39/900527939.db2.gz XYTBWPUSEIVCGV-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001392216994 900531694 /nfs/dbraw/zinc/53/16/94/900531694.db2.gz SXCWVQKNHPHDFO-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001392216993 900533696 /nfs/dbraw/zinc/53/36/96/900533696.db2.gz SXCWVQKNHPHDFO-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001392219075 900536915 /nfs/dbraw/zinc/53/69/15/900536915.db2.gz JMIIPAQGZVNGLF-UPJWGTAASA-N 2 1 298.431 -0.197 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001392246080 900540030 /nfs/dbraw/zinc/54/00/30/900540030.db2.gz JRJCPCVEQACIAL-OLZOCXBDSA-N 2 1 298.431 -0.195 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001392255281 900543713 /nfs/dbraw/zinc/54/37/13/900543713.db2.gz YSVVINSTRDKZTF-NEPJUHHUSA-N 2 1 284.404 -0.586 20 0 CBADMP C[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001392271918 900551996 /nfs/dbraw/zinc/55/19/96/900551996.db2.gz MHWOIWBBIZAOBN-RYUDHWBXSA-N 2 1 273.377 -0.912 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001392271918 900552005 /nfs/dbraw/zinc/55/20/05/900552005.db2.gz MHWOIWBBIZAOBN-RYUDHWBXSA-N 2 1 273.377 -0.912 20 0 CBADMP C[C@H](O)C[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001392271918 900552014 /nfs/dbraw/zinc/55/20/14/900552014.db2.gz MHWOIWBBIZAOBN-RYUDHWBXSA-N 2 1 273.377 -0.912 20 0 CBADMP C[C@H](O)C[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001392271918 900552024 /nfs/dbraw/zinc/55/20/24/900552024.db2.gz MHWOIWBBIZAOBN-RYUDHWBXSA-N 2 1 273.377 -0.912 20 0 CBADMP CN(CC[N@H+](C)C[C@@H]1CCOC1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001392271878 900552473 /nfs/dbraw/zinc/55/24/73/900552473.db2.gz MDDBZAYWSOFNAO-UONOGXRCSA-N 2 1 299.415 -0.256 20 0 CBADMP CN(CC[N@@H+](C)C[C@@H]1CCOC1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001392271878 900552480 /nfs/dbraw/zinc/55/24/80/900552480.db2.gz MDDBZAYWSOFNAO-UONOGXRCSA-N 2 1 299.415 -0.256 20 0 CBADMP CN(CC[NH+](C)C[C@@H]1CCOC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001392271878 900552487 /nfs/dbraw/zinc/55/24/87/900552487.db2.gz MDDBZAYWSOFNAO-UONOGXRCSA-N 2 1 299.415 -0.256 20 0 CBADMP CN(CC[NH+](C)C[C@@H]1CCOC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001392271878 900552497 /nfs/dbraw/zinc/55/24/97/900552497.db2.gz MDDBZAYWSOFNAO-UONOGXRCSA-N 2 1 299.415 -0.256 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)CC(=O)N(C)C ZINC001392318218 900561881 /nfs/dbraw/zinc/56/18/81/900561881.db2.gz SDDQLILJCFTMCF-UHFFFAOYSA-N 2 1 286.420 -0.193 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)CC(=O)N(C)C ZINC001392318218 900561888 /nfs/dbraw/zinc/56/18/88/900561888.db2.gz SDDQLILJCFTMCF-UHFFFAOYSA-N 2 1 286.420 -0.193 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)CC(=O)N(C)C ZINC001392318218 900561897 /nfs/dbraw/zinc/56/18/97/900561897.db2.gz SDDQLILJCFTMCF-UHFFFAOYSA-N 2 1 286.420 -0.193 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C ZINC001392318218 900561905 /nfs/dbraw/zinc/56/19/05/900561905.db2.gz SDDQLILJCFTMCF-UHFFFAOYSA-N 2 1 286.420 -0.193 20 0 CBADMP CN(CCN(C)[C@@H]1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392327746 900564186 /nfs/dbraw/zinc/56/41/86/900564186.db2.gz ULEQGRMERACSPK-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001392327746 900564195 /nfs/dbraw/zinc/56/41/95/900564195.db2.gz ULEQGRMERACSPK-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001392327746 900564206 /nfs/dbraw/zinc/56/42/06/900564206.db2.gz ULEQGRMERACSPK-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001392327746 900564215 /nfs/dbraw/zinc/56/42/15/900564215.db2.gz ULEQGRMERACSPK-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392327746 900564224 /nfs/dbraw/zinc/56/42/24/900564224.db2.gz ULEQGRMERACSPK-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392426507 900614877 /nfs/dbraw/zinc/61/48/77/900614877.db2.gz MTTUWCAGIOQPMZ-YPMHNXCESA-N 2 1 296.371 -0.499 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001392480560 900634445 /nfs/dbraw/zinc/63/44/45/900634445.db2.gz OSXWTMFSQHWNDS-VXGBXAGGSA-N 2 1 284.404 -0.301 20 0 CBADMP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001392525498 900646635 /nfs/dbraw/zinc/64/66/35/900646635.db2.gz PALNEBMYAKKUCI-DGCLKSJQSA-N 2 1 296.419 -0.004 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001392573108 900663457 /nfs/dbraw/zinc/66/34/57/900663457.db2.gz DOODHAQYSLWDPH-RWMBFGLXSA-N 2 1 287.404 -0.428 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001392579599 900667020 /nfs/dbraw/zinc/66/70/20/900667020.db2.gz HTYQGEFIHIIPDW-JQWIXIFHSA-N 2 1 284.360 -0.707 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001392595833 900670467 /nfs/dbraw/zinc/67/04/67/900670467.db2.gz YGWNNKVSVWTCDZ-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392595833 900670472 /nfs/dbraw/zinc/67/04/72/900670472.db2.gz YGWNNKVSVWTCDZ-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001392617734 900678531 /nfs/dbraw/zinc/67/85/31/900678531.db2.gz KOZFSXVRGFSWQB-FZMZJTMJSA-N 2 1 292.383 -0.131 20 0 CBADMP COCC[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001392700557 900703924 /nfs/dbraw/zinc/70/39/24/900703924.db2.gz HMOWXCWNLVAONC-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP COCC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001392700557 900703935 /nfs/dbraw/zinc/70/39/35/900703935.db2.gz HMOWXCWNLVAONC-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001392937728 900766434 /nfs/dbraw/zinc/76/64/34/900766434.db2.gz CLAPSHWCMFRXIS-NEPJUHHUSA-N 2 1 294.399 -0.273 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001393065671 900791321 /nfs/dbraw/zinc/79/13/21/900791321.db2.gz REBNIRUNSNHCEK-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001393065671 900791331 /nfs/dbraw/zinc/79/13/31/900791331.db2.gz REBNIRUNSNHCEK-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001393270404 900823522 /nfs/dbraw/zinc/82/35/22/900823522.db2.gz FAXJEKARCCSFMO-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)N2CC([NH2+]C3COC3)C2)n1 ZINC001456520035 914483204 /nfs/dbraw/zinc/48/32/04/914483204.db2.gz QGAIOOAGYLKWEB-UHFFFAOYSA-N 2 1 293.371 -0.743 20 0 CBADMP COC[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001393469325 900863983 /nfs/dbraw/zinc/86/39/83/900863983.db2.gz ZGCCIHAECLNXEE-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001393469320 900864288 /nfs/dbraw/zinc/86/42/88/900864288.db2.gz ZGCCIHAECLNXEE-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001393535156 900872054 /nfs/dbraw/zinc/87/20/54/900872054.db2.gz WAGTYEXWVRMNEH-CHWSQXEVSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)Cc1cncn1C ZINC001393644039 900886105 /nfs/dbraw/zinc/88/61/05/900886105.db2.gz LIICIJZYCXTPFG-LLVKDONJSA-N 2 1 295.387 -0.383 20 0 CBADMP C[C@H](C(N)=O)N(C)CCCN(C)C(=O)Cc1cncn1C ZINC001393644039 900886117 /nfs/dbraw/zinc/88/61/17/900886117.db2.gz LIICIJZYCXTPFG-LLVKDONJSA-N 2 1 295.387 -0.383 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393644806 900891772 /nfs/dbraw/zinc/89/17/72/900891772.db2.gz QBTDTMMXRJXRMF-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001393644806 900891752 /nfs/dbraw/zinc/89/17/52/900891752.db2.gz QBTDTMMXRJXRMF-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001393644806 900891764 /nfs/dbraw/zinc/89/17/64/900891764.db2.gz QBTDTMMXRJXRMF-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP COCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001393871323 900918658 /nfs/dbraw/zinc/91/86/58/900918658.db2.gz LFVKWGYQFHQUOR-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP CN(CC(N)=O)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001393881354 900919968 /nfs/dbraw/zinc/91/99/68/900919968.db2.gz GEDXBKXQZRBMFL-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001393881354 900919979 /nfs/dbraw/zinc/91/99/79/900919979.db2.gz GEDXBKXQZRBMFL-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001393881354 900919988 /nfs/dbraw/zinc/91/99/88/900919988.db2.gz GEDXBKXQZRBMFL-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001393881354 900919991 /nfs/dbraw/zinc/91/99/91/900919991.db2.gz GEDXBKXQZRBMFL-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001393881354 900920004 /nfs/dbraw/zinc/92/00/04/900920004.db2.gz GEDXBKXQZRBMFL-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CN(CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393883504 900921366 /nfs/dbraw/zinc/92/13/66/900921366.db2.gz KNZLZXDAQROWQE-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001393883504 900921384 /nfs/dbraw/zinc/92/13/84/900921384.db2.gz KNZLZXDAQROWQE-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001393883504 900921391 /nfs/dbraw/zinc/92/13/91/900921391.db2.gz KNZLZXDAQROWQE-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001393883504 900921410 /nfs/dbraw/zinc/92/14/10/900921410.db2.gz KNZLZXDAQROWQE-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393883504 900921418 /nfs/dbraw/zinc/92/14/18/900921418.db2.gz KNZLZXDAQROWQE-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(CC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393883501 900922420 /nfs/dbraw/zinc/92/24/20/900922420.db2.gz KNZLZXDAQROWQE-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001393883501 900922428 /nfs/dbraw/zinc/92/24/28/900922428.db2.gz KNZLZXDAQROWQE-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001393883501 900922437 /nfs/dbraw/zinc/92/24/37/900922437.db2.gz KNZLZXDAQROWQE-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001393883501 900922444 /nfs/dbraw/zinc/92/24/44/900922444.db2.gz KNZLZXDAQROWQE-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393883501 900922453 /nfs/dbraw/zinc/92/24/53/900922453.db2.gz KNZLZXDAQROWQE-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001456587638 914490629 /nfs/dbraw/zinc/49/06/29/914490629.db2.gz PIFFHBCZUNUFIX-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001394120247 900977801 /nfs/dbraw/zinc/97/78/01/900977801.db2.gz AROKXZWIVIODQD-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001394120247 900977810 /nfs/dbraw/zinc/97/78/10/900977810.db2.gz AROKXZWIVIODQD-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001394139660 900985148 /nfs/dbraw/zinc/98/51/48/900985148.db2.gz POYZUBFQWNYQAN-VXGBXAGGSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001394139660 900985158 /nfs/dbraw/zinc/98/51/58/900985158.db2.gz POYZUBFQWNYQAN-VXGBXAGGSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001394139660 900985167 /nfs/dbraw/zinc/98/51/67/900985167.db2.gz POYZUBFQWNYQAN-VXGBXAGGSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001394139660 900985175 /nfs/dbraw/zinc/98/51/75/900985175.db2.gz POYZUBFQWNYQAN-VXGBXAGGSA-N 2 1 286.420 -0.102 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CC(N)=O ZINC001394209696 900996725 /nfs/dbraw/zinc/99/67/25/900996725.db2.gz HLHJTKXHMYDRJD-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@H+]1CC(N)=O ZINC001394209696 900996736 /nfs/dbraw/zinc/99/67/36/900996736.db2.gz HLHJTKXHMYDRJD-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC([N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC001394392588 901023758 /nfs/dbraw/zinc/02/37/58/901023758.db2.gz RWZLLKYBSMBKCO-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394453552 901026597 /nfs/dbraw/zinc/02/65/97/901026597.db2.gz QIDBTXQDOOSQIQ-RYUDHWBXSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(N)=O ZINC001394496381 901038302 /nfs/dbraw/zinc/03/83/02/901038302.db2.gz PUOHKWQXXNKYJS-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001394509844 901044009 /nfs/dbraw/zinc/04/40/09/901044009.db2.gz RLLUFNSMHAJTRJ-ZYHUDNBSSA-N 2 1 295.387 -0.108 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001394552586 901047996 /nfs/dbraw/zinc/04/79/96/901047996.db2.gz IAWDOYOQRFPELG-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001394555261 901050034 /nfs/dbraw/zinc/05/00/34/901050034.db2.gz CHTSBKVQGILNJY-PWSUYJOCSA-N 2 1 295.387 -0.108 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1ccccn1 ZINC001394625310 901097108 /nfs/dbraw/zinc/09/71/08/901097108.db2.gz ZPMRIYXXZHBMQX-CYBMUJFWSA-N 2 1 280.372 -0.400 20 0 CBADMP Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001394642017 901102782 /nfs/dbraw/zinc/10/27/82/901102782.db2.gz AKDHQSLXSQDSGX-CYBMUJFWSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001394642017 901102790 /nfs/dbraw/zinc/10/27/90/901102790.db2.gz AKDHQSLXSQDSGX-CYBMUJFWSA-N 2 1 298.387 -0.110 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC001394662382 901111609 /nfs/dbraw/zinc/11/16/09/901111609.db2.gz MDCNKLCDPIEHPA-VXGBXAGGSA-N 2 1 293.371 -0.483 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC001394662380 901112223 /nfs/dbraw/zinc/11/22/23/901112223.db2.gz MDCNKLCDPIEHPA-NEPJUHHUSA-N 2 1 293.371 -0.483 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnns2)C1 ZINC001394658165 901112696 /nfs/dbraw/zinc/11/26/96/901112696.db2.gz VFMATGXHZWODRM-NXEZZACHSA-N 2 1 299.400 -0.944 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnns2)C1 ZINC001394658165 901112704 /nfs/dbraw/zinc/11/27/04/901112704.db2.gz VFMATGXHZWODRM-NXEZZACHSA-N 2 1 299.400 -0.944 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001394691484 901118371 /nfs/dbraw/zinc/11/83/71/901118371.db2.gz NFJQCGQGAUAPSU-JMSVASOKSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001394691492 901120279 /nfs/dbraw/zinc/12/02/79/901120279.db2.gz NFJQCGQGAUAPSU-TYNCELHUSA-N 2 1 296.415 -0.075 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@H]1C ZINC001394681961 901120606 /nfs/dbraw/zinc/12/06/06/901120606.db2.gz UYAWHBDJSZNGAG-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC(=O)N(C)C ZINC001394720061 901122319 /nfs/dbraw/zinc/12/23/19/901122319.db2.gz WYMYBCZVSHJXKF-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1CC(=O)N(C)C ZINC001394720061 901122322 /nfs/dbraw/zinc/12/23/22/901122322.db2.gz WYMYBCZVSHJXKF-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CCC[NH+]1C ZINC001394772471 901151626 /nfs/dbraw/zinc/15/16/26/901151626.db2.gz XRUGMQFPTAACGS-CHWSQXEVSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001394772471 901151633 /nfs/dbraw/zinc/15/16/33/901151633.db2.gz XRUGMQFPTAACGS-CHWSQXEVSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001394772471 901151638 /nfs/dbraw/zinc/15/16/38/901151638.db2.gz XRUGMQFPTAACGS-CHWSQXEVSA-N 2 1 287.404 -0.786 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001397135945 901368870 /nfs/dbraw/zinc/36/88/70/901368870.db2.gz QWKXCPHZDIGZMC-XDQVBPFNSA-N 2 1 299.415 -0.428 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001397444038 901411515 /nfs/dbraw/zinc/41/15/15/901411515.db2.gz KJJZLCBAYMPXPI-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001397686592 901444377 /nfs/dbraw/zinc/44/43/77/901444377.db2.gz VRCABLAWNXJLEG-SRVKXCTJSA-N 2 1 282.388 -0.832 20 0 CBADMP CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001397924998 901480046 /nfs/dbraw/zinc/48/00/46/901480046.db2.gz AHYHKHXEKUTBEA-OLZOCXBDSA-N 2 1 296.415 -0.536 20 0 CBADMP CN(CCNC(=O)[C@@H]1CC[NH+](C)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001397924998 901480054 /nfs/dbraw/zinc/48/00/54/901480054.db2.gz AHYHKHXEKUTBEA-OLZOCXBDSA-N 2 1 296.415 -0.536 20 0 CBADMP CN(CCNC(=O)[C@@H]1CC[NH+](C)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001397924998 901480061 /nfs/dbraw/zinc/48/00/61/901480061.db2.gz AHYHKHXEKUTBEA-OLZOCXBDSA-N 2 1 296.415 -0.536 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001398348973 901525005 /nfs/dbraw/zinc/52/50/05/901525005.db2.gz XTVNUPKSPYDHJR-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001398348973 901525009 /nfs/dbraw/zinc/52/50/09/901525009.db2.gz XTVNUPKSPYDHJR-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001398339146 901525863 /nfs/dbraw/zinc/52/58/63/901525863.db2.gz VQVQYMOKRQUSGS-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001398345353 901527543 /nfs/dbraw/zinc/52/75/43/901527543.db2.gz RLGROXVXJSDJMJ-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001398345353 901527553 /nfs/dbraw/zinc/52/75/53/901527553.db2.gz RLGROXVXJSDJMJ-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001398345353 901527556 /nfs/dbraw/zinc/52/75/56/901527556.db2.gz RLGROXVXJSDJMJ-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001398345353 901527571 /nfs/dbraw/zinc/52/75/71/901527571.db2.gz RLGROXVXJSDJMJ-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001399007859 901649015 /nfs/dbraw/zinc/64/90/15/901649015.db2.gz REHNRGONJZILGE-JTQLQIEISA-N 2 1 281.360 -0.626 20 0 CBADMP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1nncn1C ZINC001399047331 901654537 /nfs/dbraw/zinc/65/45/37/901654537.db2.gz VXKZXFJYNQTFBA-LLVKDONJSA-N 2 1 294.403 -0.249 20 0 CBADMP CCn1nncc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399108879 901664834 /nfs/dbraw/zinc/66/48/34/901664834.db2.gz KHHCWLQMZHKZIO-NWDGAFQWSA-N 2 1 294.403 -0.156 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001399114931 901668138 /nfs/dbraw/zinc/66/81/38/901668138.db2.gz SVNZIKQOQUORFH-GHMZBOCLSA-N 2 1 297.407 -0.293 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001399114931 901668154 /nfs/dbraw/zinc/66/81/54/901668154.db2.gz SVNZIKQOQUORFH-GHMZBOCLSA-N 2 1 297.407 -0.293 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001399181141 901679876 /nfs/dbraw/zinc/67/98/76/901679876.db2.gz ZJPONBRZBWVIJZ-NSHDSACASA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001399181141 901679880 /nfs/dbraw/zinc/67/98/80/901679880.db2.gz ZJPONBRZBWVIJZ-NSHDSACASA-N 2 1 282.392 -0.250 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001399217026 901683565 /nfs/dbraw/zinc/68/35/65/901683565.db2.gz LMYJVLWHUWCEMF-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001399250928 901687913 /nfs/dbraw/zinc/68/79/13/901687913.db2.gz YUHHVKFZGABCHA-NEPJUHHUSA-N 2 1 282.388 -0.878 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001399294979 901690987 /nfs/dbraw/zinc/69/09/87/901690987.db2.gz URTDRVDJOIBUSD-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@H+](CCCO)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001399296593 901691346 /nfs/dbraw/zinc/69/13/46/901691346.db2.gz LFJIMOZLFVKNLF-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@@H+](CCCO)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001399296593 901691351 /nfs/dbraw/zinc/69/13/51/901691351.db2.gz LFJIMOZLFVKNLF-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCCO)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001399296593 901691355 /nfs/dbraw/zinc/69/13/55/901691355.db2.gz LFJIMOZLFVKNLF-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCCO)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001399296593 901691362 /nfs/dbraw/zinc/69/13/62/901691362.db2.gz LFJIMOZLFVKNLF-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001399296835 901692202 /nfs/dbraw/zinc/69/22/02/901692202.db2.gz ZWXKURXJRQNHHD-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001399296835 901692207 /nfs/dbraw/zinc/69/22/07/901692207.db2.gz ZWXKURXJRQNHHD-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001399380186 901706319 /nfs/dbraw/zinc/70/63/19/901706319.db2.gz WAXGFGZMBNWBFL-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCCNC1=O ZINC001399435617 901717359 /nfs/dbraw/zinc/71/73/59/901717359.db2.gz JIIWJAKDHFSHJP-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCCNC1=O ZINC001399435617 901717371 /nfs/dbraw/zinc/71/73/71/901717371.db2.gz JIIWJAKDHFSHJP-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCCNC1=O ZINC001399435617 901717382 /nfs/dbraw/zinc/71/73/82/901717382.db2.gz JIIWJAKDHFSHJP-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCCNC1=O ZINC001399435617 901717397 /nfs/dbraw/zinc/71/73/97/901717397.db2.gz JIIWJAKDHFSHJP-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001399489156 901734835 /nfs/dbraw/zinc/73/48/35/901734835.db2.gz SPFONAOKWPZVLR-JQWIXIFHSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001399489156 901734842 /nfs/dbraw/zinc/73/48/42/901734842.db2.gz SPFONAOKWPZVLR-JQWIXIFHSA-N 2 1 282.388 -0.750 20 0 CBADMP CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001399735297 901783620 /nfs/dbraw/zinc/78/36/20/901783620.db2.gz WYPNMDDYQHBOTI-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001399735297 901783628 /nfs/dbraw/zinc/78/36/28/901783628.db2.gz WYPNMDDYQHBOTI-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001399735297 901783637 /nfs/dbraw/zinc/78/36/37/901783637.db2.gz WYPNMDDYQHBOTI-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001399735297 901783647 /nfs/dbraw/zinc/78/36/47/901783647.db2.gz WYPNMDDYQHBOTI-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001399860294 901821896 /nfs/dbraw/zinc/82/18/96/901821896.db2.gz BLZBYWZDZWEOAS-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001399860294 901821902 /nfs/dbraw/zinc/82/19/02/901821902.db2.gz BLZBYWZDZWEOAS-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001399860294 901821909 /nfs/dbraw/zinc/82/19/09/901821909.db2.gz BLZBYWZDZWEOAS-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001399919252 901836630 /nfs/dbraw/zinc/83/66/30/901836630.db2.gz AVJYSDLWOUHHHL-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001399919252 901836639 /nfs/dbraw/zinc/83/66/39/901836639.db2.gz AVJYSDLWOUHHHL-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001399919252 901836646 /nfs/dbraw/zinc/83/66/46/901836646.db2.gz AVJYSDLWOUHHHL-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001400009716 901853622 /nfs/dbraw/zinc/85/36/22/901853622.db2.gz UHACKULKBHXXMF-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001400009716 901853638 /nfs/dbraw/zinc/85/36/38/901853638.db2.gz UHACKULKBHXXMF-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001400009716 901853651 /nfs/dbraw/zinc/85/36/51/901853651.db2.gz UHACKULKBHXXMF-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001400009716 901853662 /nfs/dbraw/zinc/85/36/62/901853662.db2.gz UHACKULKBHXXMF-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001400043115 901863818 /nfs/dbraw/zinc/86/38/18/901863818.db2.gz YJEKXXCBUREDJS-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001400043115 901863827 /nfs/dbraw/zinc/86/38/27/901863827.db2.gz YJEKXXCBUREDJS-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001400043115 901863838 /nfs/dbraw/zinc/86/38/38/901863838.db2.gz YJEKXXCBUREDJS-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001400043115 901863847 /nfs/dbraw/zinc/86/38/47/901863847.db2.gz YJEKXXCBUREDJS-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001400054841 901865997 /nfs/dbraw/zinc/86/59/97/901865997.db2.gz MQBNKGNCQHGIHH-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCN1CC[C@H]([NH2+]CCN(C)C(=O)CC[N@@H+](C)CC)C1=O ZINC001400066032 901870853 /nfs/dbraw/zinc/87/08/53/901870853.db2.gz NGTWYXXSEMBQKW-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001400082331 901874946 /nfs/dbraw/zinc/87/49/46/901874946.db2.gz IVYDBGCUNWRWGS-JTQLQIEISA-N 2 1 281.360 -0.626 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001400166389 901888702 /nfs/dbraw/zinc/88/87/02/901888702.db2.gz AIYAQFDTEJMNRF-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001400296386 901910161 /nfs/dbraw/zinc/91/01/61/901910161.db2.gz JMTITNUSBNFYPO-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H]2CCNC2=O)C1 ZINC001400296386 901910134 /nfs/dbraw/zinc/91/01/34/901910134.db2.gz JMTITNUSBNFYPO-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H]2CCNC2=O)C1 ZINC001400296386 901910142 /nfs/dbraw/zinc/91/01/42/901910142.db2.gz JMTITNUSBNFYPO-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001400296386 901910152 /nfs/dbraw/zinc/91/01/52/901910152.db2.gz JMTITNUSBNFYPO-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001400571014 901971342 /nfs/dbraw/zinc/97/13/42/901971342.db2.gz JSSHCHPHAHESIR-LBPRGKRZSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001400571014 901971346 /nfs/dbraw/zinc/97/13/46/901971346.db2.gz JSSHCHPHAHESIR-LBPRGKRZSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001400571000 901973143 /nfs/dbraw/zinc/97/31/43/901973143.db2.gz JSSHCHPHAHESIR-GFCCVEGCSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC1C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001400571000 901973138 /nfs/dbraw/zinc/97/31/38/901973138.db2.gz JSSHCHPHAHESIR-GFCCVEGCSA-N 2 1 298.431 -0.149 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001400627314 901980999 /nfs/dbraw/zinc/98/09/99/901980999.db2.gz GQMUZYDIRVIGFC-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001400627314 901981006 /nfs/dbraw/zinc/98/10/06/901981006.db2.gz GQMUZYDIRVIGFC-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001400627314 901981013 /nfs/dbraw/zinc/98/10/13/901981013.db2.gz GQMUZYDIRVIGFC-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001400627314 901981018 /nfs/dbraw/zinc/98/10/18/901981018.db2.gz GQMUZYDIRVIGFC-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001400617180 901981221 /nfs/dbraw/zinc/98/12/21/901981221.db2.gz ZDPGXRJZOCLYBM-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001400617180 901981228 /nfs/dbraw/zinc/98/12/28/901981228.db2.gz ZDPGXRJZOCLYBM-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001400617180 901981237 /nfs/dbraw/zinc/98/12/37/901981237.db2.gz ZDPGXRJZOCLYBM-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001400617180 901981246 /nfs/dbraw/zinc/98/12/46/901981246.db2.gz ZDPGXRJZOCLYBM-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001400626836 901982035 /nfs/dbraw/zinc/98/20/35/901982035.db2.gz DZRPCXTVWMABFM-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001400626836 901982046 /nfs/dbraw/zinc/98/20/46/901982046.db2.gz DZRPCXTVWMABFM-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001400626836 901982058 /nfs/dbraw/zinc/98/20/58/901982058.db2.gz DZRPCXTVWMABFM-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001400626836 901982069 /nfs/dbraw/zinc/98/20/69/901982069.db2.gz DZRPCXTVWMABFM-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001400627112 901982510 /nfs/dbraw/zinc/98/25/10/901982510.db2.gz WMXWDCQCMIVEHF-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001400627112 901982521 /nfs/dbraw/zinc/98/25/21/901982521.db2.gz WMXWDCQCMIVEHF-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001400627112 901982532 /nfs/dbraw/zinc/98/25/32/901982532.db2.gz WMXWDCQCMIVEHF-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001400627112 901982539 /nfs/dbraw/zinc/98/25/39/901982539.db2.gz WMXWDCQCMIVEHF-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001400661429 901990157 /nfs/dbraw/zinc/99/01/57/901990157.db2.gz IWNMIWWFROBICA-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001400661429 901990169 /nfs/dbraw/zinc/99/01/69/901990169.db2.gz IWNMIWWFROBICA-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001400661429 901990182 /nfs/dbraw/zinc/99/01/82/901990182.db2.gz IWNMIWWFROBICA-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001400661429 901990203 /nfs/dbraw/zinc/99/02/03/901990203.db2.gz IWNMIWWFROBICA-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001400701123 901995133 /nfs/dbraw/zinc/99/51/33/901995133.db2.gz ADVYVBNMMQFQES-LBPRGKRZSA-N 2 1 284.404 -0.441 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001400701123 901995141 /nfs/dbraw/zinc/99/51/41/901995141.db2.gz ADVYVBNMMQFQES-LBPRGKRZSA-N 2 1 284.404 -0.441 20 0 CBADMP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001400807386 902019544 /nfs/dbraw/zinc/01/95/44/902019544.db2.gz UXMMTGQLDFTXRB-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001400807390 902019938 /nfs/dbraw/zinc/01/99/38/902019938.db2.gz UXMMTGQLDFTXRB-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC ZINC001400805435 902020748 /nfs/dbraw/zinc/02/07/48/902020748.db2.gz UWXXGUOPMWPTEH-GRYCIOLGSA-N 2 1 284.404 -0.443 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cnnn1C ZINC001401121872 902061246 /nfs/dbraw/zinc/06/12/46/902061246.db2.gz GQDOWGFIZDMAGL-WCQYABFASA-N 2 1 294.403 -0.249 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001401141352 902063306 /nfs/dbraw/zinc/06/33/06/902063306.db2.gz WXXWGYMESDAMNI-NWDGAFQWSA-N 2 1 284.404 -0.584 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1)C(N)=O ZINC001401189309 902077500 /nfs/dbraw/zinc/07/75/00/902077500.db2.gz PWEUCVLVSBFPAV-VXGBXAGGSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001401221344 902086152 /nfs/dbraw/zinc/08/61/52/902086152.db2.gz OVXPNKKHUFRPLM-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001401220580 902086308 /nfs/dbraw/zinc/08/63/08/902086308.db2.gz NBCCSNTWXRQFQW-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001401376029 902114997 /nfs/dbraw/zinc/11/49/97/902114997.db2.gz NVVZNXJPNSUBSD-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001401376029 902115010 /nfs/dbraw/zinc/11/50/10/902115010.db2.gz NVVZNXJPNSUBSD-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001401434786 902122809 /nfs/dbraw/zinc/12/28/09/902122809.db2.gz FOQUCRZMQGKMMT-MNOVXSKESA-N 2 1 270.377 -0.798 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)CC(=O)N1CCC1 ZINC001401427712 902122398 /nfs/dbraw/zinc/12/23/98/902122398.db2.gz HBVUXJFXYSPHMJ-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)CC(=O)N1CCC1 ZINC001401427712 902122405 /nfs/dbraw/zinc/12/24/05/902122405.db2.gz HBVUXJFXYSPHMJ-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)CC(=O)N1CCC1 ZINC001401427712 902122415 /nfs/dbraw/zinc/12/24/15/902122415.db2.gz HBVUXJFXYSPHMJ-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)CC(=O)N1CCC1 ZINC001401427712 902122426 /nfs/dbraw/zinc/12/24/26/902122426.db2.gz HBVUXJFXYSPHMJ-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001401434786 902122823 /nfs/dbraw/zinc/12/28/23/902122823.db2.gz FOQUCRZMQGKMMT-MNOVXSKESA-N 2 1 270.377 -0.798 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401434786 902122837 /nfs/dbraw/zinc/12/28/37/902122837.db2.gz FOQUCRZMQGKMMT-MNOVXSKESA-N 2 1 270.377 -0.798 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401434786 902122848 /nfs/dbraw/zinc/12/28/48/902122848.db2.gz FOQUCRZMQGKMMT-MNOVXSKESA-N 2 1 270.377 -0.798 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001401438418 902122884 /nfs/dbraw/zinc/12/28/84/902122884.db2.gz NJSZPNYBOVSBNL-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1)[NH+](C)C ZINC001401551081 902162757 /nfs/dbraw/zinc/16/27/57/902162757.db2.gz GCNXOHRPNSGZKO-NEPJUHHUSA-N 2 1 295.387 -0.617 20 0 CBADMP Cc1nnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)[nH]1 ZINC001401562113 902170221 /nfs/dbraw/zinc/17/02/21/902170221.db2.gz SZQMRRVJIDEJKK-GXSJLCMTSA-N 2 1 298.391 -0.807 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NC[C@H](O)C[NH2+]CC2CC2)no1 ZINC001401569905 902172319 /nfs/dbraw/zinc/17/23/19/902172319.db2.gz SGZQBCSWDYKNPI-LLVKDONJSA-N 2 1 296.371 -0.174 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001401601874 902180689 /nfs/dbraw/zinc/18/06/89/902180689.db2.gz FGDMLEFLXRLQBU-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401646474 902205978 /nfs/dbraw/zinc/20/59/78/902205978.db2.gz HELDWSPEAQKFFZ-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001401667548 902219080 /nfs/dbraw/zinc/21/90/80/902219080.db2.gz LULGQAWGUCTGIP-ZYHUDNBSSA-N 2 1 293.371 -0.483 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001401677379 902221100 /nfs/dbraw/zinc/22/11/00/902221100.db2.gz YLESDNXQLHITKI-CMPLNLGQSA-N 2 1 282.388 -0.547 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001401686621 902230940 /nfs/dbraw/zinc/23/09/40/902230940.db2.gz VDRLNZPDCOEMID-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001401691147 902232550 /nfs/dbraw/zinc/23/25/50/902232550.db2.gz USYRSSLCCFIOMX-NSHDSACASA-N 2 1 293.371 -0.482 20 0 CBADMP C[C@@H](C[NH2+]C[C@H]1CCOC1)NC(=O)CC[NH+]1CCOCC1 ZINC001401714141 902245470 /nfs/dbraw/zinc/24/54/70/902245470.db2.gz PTOHLKYPHBQUQM-UONOGXRCSA-N 2 1 299.415 -0.161 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001401773338 902265415 /nfs/dbraw/zinc/26/54/15/902265415.db2.gz COGCRDBKFQVFOE-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001401773338 902265428 /nfs/dbraw/zinc/26/54/28/902265428.db2.gz COGCRDBKFQVFOE-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401773338 902265441 /nfs/dbraw/zinc/26/54/41/902265441.db2.gz COGCRDBKFQVFOE-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401773338 902265453 /nfs/dbraw/zinc/26/54/53/902265453.db2.gz COGCRDBKFQVFOE-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CCC[NH+]1C ZINC001401782656 902269833 /nfs/dbraw/zinc/26/98/33/902269833.db2.gz QKIGMPIRSUESNB-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CCC[NH+]1C ZINC001401782656 902269845 /nfs/dbraw/zinc/26/98/45/902269845.db2.gz QKIGMPIRSUESNB-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001401782656 902269855 /nfs/dbraw/zinc/26/98/55/902269855.db2.gz QKIGMPIRSUESNB-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001401782656 902269870 /nfs/dbraw/zinc/26/98/70/902269870.db2.gz QKIGMPIRSUESNB-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+](C)CCO)C1 ZINC001401809617 902283502 /nfs/dbraw/zinc/28/35/02/902283502.db2.gz VEPFBLCKIREKKS-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+](C)CCO)C1 ZINC001401809617 902283516 /nfs/dbraw/zinc/28/35/16/902283516.db2.gz VEPFBLCKIREKKS-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCO)C1 ZINC001401809617 902283531 /nfs/dbraw/zinc/28/35/31/902283531.db2.gz VEPFBLCKIREKKS-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CCO)C1 ZINC001401809617 902283546 /nfs/dbraw/zinc/28/35/46/902283546.db2.gz VEPFBLCKIREKKS-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001401856539 902289323 /nfs/dbraw/zinc/28/93/23/902289323.db2.gz XYYCIOKZHKQFBU-BFHYXJOUSA-N 2 1 299.415 -0.428 20 0 CBADMP COC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001401934705 902314787 /nfs/dbraw/zinc/31/47/87/902314787.db2.gz HHHMGAAIEGTABR-NWDGAFQWSA-N 2 1 285.388 -0.410 20 0 CBADMP COC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001401934705 902314798 /nfs/dbraw/zinc/31/47/98/902314798.db2.gz HHHMGAAIEGTABR-NWDGAFQWSA-N 2 1 285.388 -0.410 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001401949016 902324201 /nfs/dbraw/zinc/32/42/01/902324201.db2.gz VFJBKJCUXUKSMR-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001401976922 902330542 /nfs/dbraw/zinc/33/05/42/902330542.db2.gz IIYLCVMWLSJCKV-NSHDSACASA-N 2 1 282.388 -0.545 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001402059724 902346353 /nfs/dbraw/zinc/34/63/53/902346353.db2.gz MRNMCWIMMOYMOG-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001402066227 902352159 /nfs/dbraw/zinc/35/21/59/902352159.db2.gz FEKRMSCYEMOHLH-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001402118683 902360803 /nfs/dbraw/zinc/36/08/03/902360803.db2.gz FSBNVSIWCXSJGR-WFASDCNBSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001402118683 902360809 /nfs/dbraw/zinc/36/08/09/902360809.db2.gz FSBNVSIWCXSJGR-WFASDCNBSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001402118683 902360819 /nfs/dbraw/zinc/36/08/19/902360819.db2.gz FSBNVSIWCXSJGR-WFASDCNBSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001402118683 902360830 /nfs/dbraw/zinc/36/08/30/902360830.db2.gz FSBNVSIWCXSJGR-WFASDCNBSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(C)CCC[NH+](CC(N)=O)C2)C1 ZINC001402215163 902385912 /nfs/dbraw/zinc/38/59/12/902385912.db2.gz ACWJCHHAQCRTRM-DOMZBBRYSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]2(C)CCC[NH+](CC(N)=O)C2)C1 ZINC001402215163 902385923 /nfs/dbraw/zinc/38/59/23/902385923.db2.gz ACWJCHHAQCRTRM-DOMZBBRYSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(C)CCC[N@H+](CC(N)=O)C2)C1 ZINC001402215163 902385929 /nfs/dbraw/zinc/38/59/29/902385929.db2.gz ACWJCHHAQCRTRM-DOMZBBRYSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(C)CCC[N@@H+](CC(N)=O)C2)C1 ZINC001402215163 902385943 /nfs/dbraw/zinc/38/59/43/902385943.db2.gz ACWJCHHAQCRTRM-DOMZBBRYSA-N 2 1 296.415 -0.358 20 0 CBADMP CCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001402261090 902394594 /nfs/dbraw/zinc/39/45/94/902394594.db2.gz DVCUGEGWGCGHHZ-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CCCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001402261090 902394609 /nfs/dbraw/zinc/39/46/09/902394609.db2.gz DVCUGEGWGCGHHZ-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CCCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001402261090 902394618 /nfs/dbraw/zinc/39/46/18/902394618.db2.gz DVCUGEGWGCGHHZ-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CCCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001402261090 902394630 /nfs/dbraw/zinc/39/46/30/902394630.db2.gz DVCUGEGWGCGHHZ-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001402451896 902454728 /nfs/dbraw/zinc/45/47/28/902454728.db2.gz MOLHGYOGSKQOHM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001402457508 902455693 /nfs/dbraw/zinc/45/56/93/902455693.db2.gz NKGJKJGSNLQFMT-UKRRQHHQSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001402457508 902455700 /nfs/dbraw/zinc/45/57/00/902455700.db2.gz NKGJKJGSNLQFMT-UKRRQHHQSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001402457508 902455707 /nfs/dbraw/zinc/45/57/07/902455707.db2.gz NKGJKJGSNLQFMT-UKRRQHHQSA-N 2 1 299.415 -0.736 20 0 CBADMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001402652497 902497851 /nfs/dbraw/zinc/49/78/51/902497851.db2.gz GJYCRCIXOBQVRU-NEPJUHHUSA-N 2 1 286.420 -0.019 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001402639683 902498927 /nfs/dbraw/zinc/49/89/27/902498927.db2.gz FCFXZLKDNPYHTR-XQQFMLRXSA-N 2 1 287.404 -0.429 20 0 CBADMP Cc1ncoc1CN[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001402865704 902543155 /nfs/dbraw/zinc/54/31/55/902543155.db2.gz LHEPCRQLSXFFCY-ZWNOBZJWSA-N 2 1 296.371 -0.092 20 0 CBADMP C[N@H+](CCO)C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001402928669 902563864 /nfs/dbraw/zinc/56/38/64/902563864.db2.gz UHOUDKANPGOCFX-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@@H+](CCO)C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001402928669 902563872 /nfs/dbraw/zinc/56/38/72/902563872.db2.gz UHOUDKANPGOCFX-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(N)=O ZINC001402989739 902583987 /nfs/dbraw/zinc/58/39/87/902583987.db2.gz YOLSZPJQZXRXMQ-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(N)=O ZINC001402989739 902583991 /nfs/dbraw/zinc/58/39/91/902583991.db2.gz YOLSZPJQZXRXMQ-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cnn(C)n1 ZINC001403011201 902591513 /nfs/dbraw/zinc/59/15/13/902591513.db2.gz WCWFYZGJOJEOJA-LLVKDONJSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1nncn1C ZINC001403044770 902598688 /nfs/dbraw/zinc/59/86/88/902598688.db2.gz KTPZEMSRHOFNQJ-MNOVXSKESA-N 2 1 282.392 -0.078 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1nncn1C ZINC001403044752 902599438 /nfs/dbraw/zinc/59/94/38/902599438.db2.gz KTPZEMSRHOFNQJ-GHMZBOCLSA-N 2 1 282.392 -0.078 20 0 CBADMP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001403054670 902601612 /nfs/dbraw/zinc/60/16/12/902601612.db2.gz TUDRAIZSDXKILM-NWDGAFQWSA-N 2 1 294.403 -0.106 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nncn1C ZINC001403091623 902612331 /nfs/dbraw/zinc/61/23/31/902612331.db2.gz ASWNWCYUZJYOGM-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nncn1C ZINC001403091623 902612338 /nfs/dbraw/zinc/61/23/38/902612338.db2.gz ASWNWCYUZJYOGM-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[N@H+](C)Cc1ccccc1)[NH2+]CC(N)=O ZINC001403129403 902623094 /nfs/dbraw/zinc/62/30/94/902623094.db2.gz FDIWTDBWRDHRSD-GFCCVEGCSA-N 2 1 292.383 -0.302 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)[NH2+]CC(N)=O ZINC001403129403 902623099 /nfs/dbraw/zinc/62/30/99/902623099.db2.gz FDIWTDBWRDHRSD-GFCCVEGCSA-N 2 1 292.383 -0.302 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001403156475 902630749 /nfs/dbraw/zinc/63/07/49/902630749.db2.gz DSGFWIDREJOCQO-LLVKDONJSA-N 2 1 284.404 -0.301 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H](C)C(N)=O ZINC001403230386 902656582 /nfs/dbraw/zinc/65/65/82/902656582.db2.gz PJPSMGJAFZPDEV-QWRGUYRKSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H](C)C(N)=O ZINC001403230386 902656588 /nfs/dbraw/zinc/65/65/88/902656588.db2.gz PJPSMGJAFZPDEV-QWRGUYRKSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001403230386 902656591 /nfs/dbraw/zinc/65/65/91/902656591.db2.gz PJPSMGJAFZPDEV-QWRGUYRKSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001403230386 902656596 /nfs/dbraw/zinc/65/65/96/902656596.db2.gz PJPSMGJAFZPDEV-QWRGUYRKSA-N 2 1 272.393 -0.363 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001403240880 902659600 /nfs/dbraw/zinc/65/96/00/902659600.db2.gz FSVWAWFDQVLBFL-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001403271001 902661472 /nfs/dbraw/zinc/66/14/72/902661472.db2.gz FKIKNZWWYJVFSI-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001403368578 902679230 /nfs/dbraw/zinc/67/92/30/902679230.db2.gz AJDMQUBGZYCGGN-NEPJUHHUSA-N 2 1 284.404 -0.171 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001403404549 902685209 /nfs/dbraw/zinc/68/52/09/902685209.db2.gz FKOFIUSRGWJTCS-RWMBFGLXSA-N 2 1 296.415 -0.360 20 0 CBADMP CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001403468666 902695219 /nfs/dbraw/zinc/69/52/19/902695219.db2.gz VDPPOGSLQOIHQV-NEPJUHHUSA-N 2 1 284.404 -0.314 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001403567168 902732966 /nfs/dbraw/zinc/73/29/66/902732966.db2.gz OTTXTDWFMOHSDT-DGCLKSJQSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001403567168 902732979 /nfs/dbraw/zinc/73/29/79/902732979.db2.gz OTTXTDWFMOHSDT-DGCLKSJQSA-N 2 1 296.415 -0.489 20 0 CBADMP C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)CCn1cncn1 ZINC001403655741 902782223 /nfs/dbraw/zinc/78/22/23/902782223.db2.gz CXSCXKLVNZIWQI-UHFFFAOYSA-N 2 1 294.403 -0.332 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCN(C)[C@@H]1CCCNC1=O ZINC001403744617 902831150 /nfs/dbraw/zinc/83/11/50/902831150.db2.gz XCMJNCYRLUMTRE-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@@H]1CCCNC1=O ZINC001403744617 902831162 /nfs/dbraw/zinc/83/11/62/902831162.db2.gz XCMJNCYRLUMTRE-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@@H]1CCCNC1=O ZINC001403744617 902831176 /nfs/dbraw/zinc/83/11/76/902831176.db2.gz XCMJNCYRLUMTRE-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001403744617 902831189 /nfs/dbraw/zinc/83/11/89/902831189.db2.gz XCMJNCYRLUMTRE-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001403744617 902831202 /nfs/dbraw/zinc/83/12/02/902831202.db2.gz XCMJNCYRLUMTRE-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC)[NH+](C)C ZINC001403740081 902834354 /nfs/dbraw/zinc/83/43/54/902834354.db2.gz LBROQSWYZIRTQV-GHMZBOCLSA-N 2 1 272.393 -0.491 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC001403766395 902842858 /nfs/dbraw/zinc/84/28/58/902842858.db2.gz FXPUEUTTWWQUKP-IUODEOHRSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC001403766395 902842867 /nfs/dbraw/zinc/84/28/67/902842867.db2.gz FXPUEUTTWWQUKP-IUODEOHRSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001403766395 902842872 /nfs/dbraw/zinc/84/28/72/902842872.db2.gz FXPUEUTTWWQUKP-IUODEOHRSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001403766395 902842879 /nfs/dbraw/zinc/84/28/79/902842879.db2.gz FXPUEUTTWWQUKP-IUODEOHRSA-N 2 1 296.415 -0.073 20 0 CBADMP CN1CC[C@@H]([N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001403767511 902844526 /nfs/dbraw/zinc/84/45/26/902844526.db2.gz HRJPNDPUATVTEL-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001403767511 902844541 /nfs/dbraw/zinc/84/45/41/902844541.db2.gz HRJPNDPUATVTEL-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001403767511 902844551 /nfs/dbraw/zinc/84/45/51/902844551.db2.gz HRJPNDPUATVTEL-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001403767511 902844564 /nfs/dbraw/zinc/84/45/64/902844564.db2.gz HRJPNDPUATVTEL-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001403817310 902858163 /nfs/dbraw/zinc/85/81/63/902858163.db2.gz PCDDSSROJGXBCP-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](CC)[C@H](C)C(N)=O)[NH+](C)C ZINC001403867562 902883868 /nfs/dbraw/zinc/88/38/68/902883868.db2.gz NLDZIZWFRSYWRL-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](CC)[C@H](C)C(N)=O)[NH+](C)C ZINC001403867562 902883874 /nfs/dbraw/zinc/88/38/74/902883874.db2.gz NLDZIZWFRSYWRL-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001403891460 902898518 /nfs/dbraw/zinc/89/85/18/902898518.db2.gz CUQILFBMXAETKH-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001403891460 902898526 /nfs/dbraw/zinc/89/85/26/902898526.db2.gz CUQILFBMXAETKH-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001403891460 902898536 /nfs/dbraw/zinc/89/85/36/902898536.db2.gz CUQILFBMXAETKH-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)C12CC[NH+](CC1)C2 ZINC001403900571 902898860 /nfs/dbraw/zinc/89/88/60/902898860.db2.gz HHAJYFXRJDCCRT-LBPRGKRZSA-N 2 1 287.379 -0.197 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)C12CC[NH+](CC1)C2 ZINC001403900571 902898876 /nfs/dbraw/zinc/89/88/76/902898876.db2.gz HHAJYFXRJDCCRT-LBPRGKRZSA-N 2 1 287.379 -0.197 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCCNC1=O ZINC001403938298 902911594 /nfs/dbraw/zinc/91/15/94/902911594.db2.gz GVWPXYZVMYHSLH-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)C(N)=O ZINC001403940632 902912261 /nfs/dbraw/zinc/91/22/61/902912261.db2.gz PUFMXYIGQSOZRI-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)C(N)=O ZINC001403940632 902912270 /nfs/dbraw/zinc/91/22/70/902912270.db2.gz PUFMXYIGQSOZRI-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)C(N)=O ZINC001403940632 902912278 /nfs/dbraw/zinc/91/22/78/902912278.db2.gz PUFMXYIGQSOZRI-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)C(N)=O ZINC001403940632 902912285 /nfs/dbraw/zinc/91/22/85/902912285.db2.gz PUFMXYIGQSOZRI-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)C(N)=O ZINC001403940632 902912295 /nfs/dbraw/zinc/91/22/95/902912295.db2.gz PUFMXYIGQSOZRI-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC ZINC001403940804 902912876 /nfs/dbraw/zinc/91/28/76/902912876.db2.gz QHOSCEJZBJOIHV-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC ZINC001403940804 902912883 /nfs/dbraw/zinc/91/28/83/902912883.db2.gz QHOSCEJZBJOIHV-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC ZINC001403940804 902912891 /nfs/dbraw/zinc/91/28/91/902912891.db2.gz QHOSCEJZBJOIHV-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C)C(=O)NC ZINC001403940804 902912902 /nfs/dbraw/zinc/91/29/02/902912902.db2.gz QHOSCEJZBJOIHV-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC ZINC001403940804 902912912 /nfs/dbraw/zinc/91/29/12/902912912.db2.gz QHOSCEJZBJOIHV-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001403969444 902917007 /nfs/dbraw/zinc/91/70/07/902917007.db2.gz TUOXCQNJQKEUMT-NEPJUHHUSA-N 2 1 298.431 -0.053 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)N(C)C ZINC001404170293 902950509 /nfs/dbraw/zinc/95/05/09/902950509.db2.gz HIKZMABRTDQFFG-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)N(C)C ZINC001404170293 902950490 /nfs/dbraw/zinc/95/04/90/902950490.db2.gz HIKZMABRTDQFFG-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)N(C)C ZINC001404170293 902950498 /nfs/dbraw/zinc/95/04/98/902950498.db2.gz HIKZMABRTDQFFG-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)N(C)C ZINC001404170293 902950518 /nfs/dbraw/zinc/95/05/18/902950518.db2.gz HIKZMABRTDQFFG-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001404309837 902969579 /nfs/dbraw/zinc/96/95/79/902969579.db2.gz FETCZTSXOBCZKQ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001404325044 902974798 /nfs/dbraw/zinc/97/47/98/902974798.db2.gz QPDAVFBFVPKHIA-NSHDSACASA-N 2 1 279.344 -0.872 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001404603932 903006371 /nfs/dbraw/zinc/00/63/71/903006371.db2.gz USOPSVRGDREKDX-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001405104919 903083736 /nfs/dbraw/zinc/08/37/36/903083736.db2.gz PEMWSJQOLWPQRJ-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001405104919 903083746 /nfs/dbraw/zinc/08/37/46/903083746.db2.gz PEMWSJQOLWPQRJ-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001405104919 903083757 /nfs/dbraw/zinc/08/37/57/903083757.db2.gz PEMWSJQOLWPQRJ-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001405104919 903083770 /nfs/dbraw/zinc/08/37/70/903083770.db2.gz PEMWSJQOLWPQRJ-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001405119409 903088370 /nfs/dbraw/zinc/08/83/70/903088370.db2.gz ILKKEQQNYKTQDG-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001405119409 903088383 /nfs/dbraw/zinc/08/83/83/903088383.db2.gz ILKKEQQNYKTQDG-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001405119409 903088385 /nfs/dbraw/zinc/08/83/85/903088385.db2.gz ILKKEQQNYKTQDG-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001405119409 903088399 /nfs/dbraw/zinc/08/83/99/903088399.db2.gz ILKKEQQNYKTQDG-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001405133750 903088903 /nfs/dbraw/zinc/08/89/03/903088903.db2.gz PNQFRWFHDFWQPJ-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001405133750 903088920 /nfs/dbraw/zinc/08/89/20/903088920.db2.gz PNQFRWFHDFWQPJ-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001405130137 903090301 /nfs/dbraw/zinc/09/03/01/903090301.db2.gz VTAKWVAPLXXIRZ-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001405130137 903090312 /nfs/dbraw/zinc/09/03/12/903090312.db2.gz VTAKWVAPLXXIRZ-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001405124392 903090993 /nfs/dbraw/zinc/09/09/93/903090993.db2.gz NTAKJWXYOCPOJT-DGCLKSJQSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001405124392 903091006 /nfs/dbraw/zinc/09/10/06/903091006.db2.gz NTAKJWXYOCPOJT-DGCLKSJQSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001405124392 903091016 /nfs/dbraw/zinc/09/10/16/903091016.db2.gz NTAKJWXYOCPOJT-DGCLKSJQSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001405124392 903091027 /nfs/dbraw/zinc/09/10/27/903091027.db2.gz NTAKJWXYOCPOJT-DGCLKSJQSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001405332308 903148932 /nfs/dbraw/zinc/14/89/32/903148932.db2.gz HPWHPHQZYSDVNT-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)[NH2+]CC(N)=O ZINC001405362296 903153340 /nfs/dbraw/zinc/15/33/40/903153340.db2.gz GFYXYYXTLRKWGE-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001405711149 903207575 /nfs/dbraw/zinc/20/75/75/903207575.db2.gz AFKAQXCEGZLVPZ-MNOVXSKESA-N 2 1 272.393 -0.458 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001405720240 903207679 /nfs/dbraw/zinc/20/76/79/903207679.db2.gz QODSOIBGKXTCOW-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@@H](C)O)CCO1 ZINC001405739358 903211568 /nfs/dbraw/zinc/21/15/68/903211568.db2.gz LVVZLXXVBXRVRX-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@@H](C)O)CCO1 ZINC001405739358 903211581 /nfs/dbraw/zinc/21/15/81/903211581.db2.gz LVVZLXXVBXRVRX-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001405739358 903211593 /nfs/dbraw/zinc/21/15/93/903211593.db2.gz LVVZLXXVBXRVRX-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001405739358 903211605 /nfs/dbraw/zinc/21/16/05/903211605.db2.gz LVVZLXXVBXRVRX-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405745766 903213098 /nfs/dbraw/zinc/21/30/98/903213098.db2.gz UZBFPPKJIDAUDJ-WDEREUQCSA-N 2 1 270.377 -0.974 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001405802959 903225188 /nfs/dbraw/zinc/22/51/88/903225188.db2.gz CRIWBXRTRPVECP-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001405853851 903238294 /nfs/dbraw/zinc/23/82/94/903238294.db2.gz WBLDEXKXHKLEQM-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001405849942 903239277 /nfs/dbraw/zinc/23/92/77/903239277.db2.gz OZIYIXPGCSIZEV-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001405971276 903247985 /nfs/dbraw/zinc/24/79/85/903247985.db2.gz MVBOEDFNXWCECH-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(N)=O ZINC001406042446 903256241 /nfs/dbraw/zinc/25/62/41/903256241.db2.gz PAJFSFBATOOQLD-VXGBXAGGSA-N 2 1 284.404 -0.314 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001406102063 903270057 /nfs/dbraw/zinc/27/00/57/903270057.db2.gz FOXFRANTIWJZTE-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001406102063 903270069 /nfs/dbraw/zinc/27/00/69/903270069.db2.gz FOXFRANTIWJZTE-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O)CC[N@@H+]1C ZINC001406098464 903270958 /nfs/dbraw/zinc/27/09/58/903270958.db2.gz HHMQOSYMCPARRI-RWMBFGLXSA-N 2 1 298.431 -0.019 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O)CC[N@H+]1C ZINC001406098464 903270975 /nfs/dbraw/zinc/27/09/75/903270975.db2.gz HHMQOSYMCPARRI-RWMBFGLXSA-N 2 1 298.431 -0.019 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O)CC[NH+]1C ZINC001406098464 903270991 /nfs/dbraw/zinc/27/09/91/903270991.db2.gz HHMQOSYMCPARRI-RWMBFGLXSA-N 2 1 298.431 -0.019 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O)CC[NH+]1C ZINC001406098464 903271007 /nfs/dbraw/zinc/27/10/07/903271007.db2.gz HHMQOSYMCPARRI-RWMBFGLXSA-N 2 1 298.431 -0.019 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001406153174 903279501 /nfs/dbraw/zinc/27/95/01/903279501.db2.gz JIUSEGUWUYNRAP-ZDUSSCGKSA-N 2 1 299.415 -0.520 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001406216102 903304101 /nfs/dbraw/zinc/30/41/01/903304101.db2.gz ZOMOBAITNDTHPC-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001406216116 903306884 /nfs/dbraw/zinc/30/68/84/903306884.db2.gz ZOMOBAITNDTHPC-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP C[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccon1)C1CCC1 ZINC001406233456 903318639 /nfs/dbraw/zinc/31/86/39/903318639.db2.gz CXUPONIELDYBCI-ZDUSSCGKSA-N 2 1 296.371 -0.274 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccon1)C1CCC1 ZINC001406233456 903318653 /nfs/dbraw/zinc/31/86/53/903318653.db2.gz CXUPONIELDYBCI-ZDUSSCGKSA-N 2 1 296.371 -0.274 20 0 CBADMP C[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc1ccon1)C1CCC1 ZINC001406233454 903319566 /nfs/dbraw/zinc/31/95/66/903319566.db2.gz CXUPONIELDYBCI-CYBMUJFWSA-N 2 1 296.371 -0.274 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc1ccon1)C1CCC1 ZINC001406233454 903319571 /nfs/dbraw/zinc/31/95/71/903319571.db2.gz CXUPONIELDYBCI-CYBMUJFWSA-N 2 1 296.371 -0.274 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001406281163 903339037 /nfs/dbraw/zinc/33/90/37/903339037.db2.gz QDCYDEOVUVLXAJ-AWEZNQCLSA-N 2 1 299.415 -0.425 20 0 CBADMP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)CCc1cnc[nH]1 ZINC001406293060 903341520 /nfs/dbraw/zinc/34/15/20/903341520.db2.gz BBUYVNJTNVMMIK-JQWIXIFHSA-N 2 1 293.371 -0.285 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccnn1C ZINC001406315873 903355746 /nfs/dbraw/zinc/35/57/46/903355746.db2.gz ZJBAYQUUPDRLCL-ZDUSSCGKSA-N 2 1 297.403 -0.673 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C[N@H+](C)C1CCC1 ZINC001406369625 903376650 /nfs/dbraw/zinc/37/66/50/903376650.db2.gz VAWGWIYUKKKEBB-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001406369625 903376663 /nfs/dbraw/zinc/37/66/63/903376663.db2.gz VAWGWIYUKKKEBB-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001406394331 903391408 /nfs/dbraw/zinc/39/14/08/903391408.db2.gz PQMFNGJWOYNJGK-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnnn1C)[NH+](C)C ZINC001406406591 903392746 /nfs/dbraw/zinc/39/27/46/903392746.db2.gz UVFAONBIWIHPBR-VWYCJHECSA-N 2 1 297.407 -0.294 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C[NH+]1CCCC1 ZINC001406425677 903399494 /nfs/dbraw/zinc/39/94/94/903399494.db2.gz AHYARRNZRLSXNY-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001406521968 903421757 /nfs/dbraw/zinc/42/17/57/903421757.db2.gz VXYQDFIXLRNPIM-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001406513653 903422215 /nfs/dbraw/zinc/42/22/15/903422215.db2.gz CXXYPNJEQKVVQE-HBNTYKKESA-N 2 1 270.377 -0.561 20 0 CBADMP CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001406513646 903423919 /nfs/dbraw/zinc/42/39/19/903423919.db2.gz CXXYPNJEQKVVQE-GARJFASQSA-N 2 1 270.377 -0.561 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001406516196 903424226 /nfs/dbraw/zinc/42/42/26/903424226.db2.gz CXGSEKAWQRPBID-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CCn1ncc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001406559603 903431295 /nfs/dbraw/zinc/43/12/95/903431295.db2.gz LJFFYMWEOVGSSJ-RYUDHWBXSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001406559603 903431303 /nfs/dbraw/zinc/43/13/03/903431303.db2.gz LJFFYMWEOVGSSJ-RYUDHWBXSA-N 2 1 294.403 -0.156 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[NH+]1CCCC1 ZINC001406566669 903433094 /nfs/dbraw/zinc/43/30/94/903433094.db2.gz ZRSOEOKQRPZGCV-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)C[NH+](C)C1CCC1 ZINC001406627527 903452696 /nfs/dbraw/zinc/45/26/96/903452696.db2.gz ATAXXXYGSHQXBC-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)C[NH+](C)C1CCC1 ZINC001406627527 903452707 /nfs/dbraw/zinc/45/27/07/903452707.db2.gz ATAXXXYGSHQXBC-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001406627527 903452719 /nfs/dbraw/zinc/45/27/19/903452719.db2.gz ATAXXXYGSHQXBC-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001406627527 903452732 /nfs/dbraw/zinc/45/27/32/903452732.db2.gz ATAXXXYGSHQXBC-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001406648778 903456872 /nfs/dbraw/zinc/45/68/72/903456872.db2.gz ARHDMNRNJYDMJO-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406704669 903464765 /nfs/dbraw/zinc/46/47/65/903464765.db2.gz XYUXBDLXKYRZIY-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@H]1CCNC1=O ZINC001406694129 903467238 /nfs/dbraw/zinc/46/72/38/903467238.db2.gz LLKHMXIOJAPTJN-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@H]1CCNC1=O ZINC001406694129 903467247 /nfs/dbraw/zinc/46/72/47/903467247.db2.gz LLKHMXIOJAPTJN-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001406694129 903467260 /nfs/dbraw/zinc/46/72/60/903467260.db2.gz LLKHMXIOJAPTJN-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001406694129 903467279 /nfs/dbraw/zinc/46/72/79/903467279.db2.gz LLKHMXIOJAPTJN-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001406764454 903474683 /nfs/dbraw/zinc/47/46/83/903474683.db2.gz SHKYWNRNPFQOAU-QWHCGFSZSA-N 2 1 296.415 -0.171 20 0 CBADMP CO[C@@H](C)C[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001406976760 903521498 /nfs/dbraw/zinc/52/14/98/903521498.db2.gz JUAUEKUEZWATDY-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001406986730 903523700 /nfs/dbraw/zinc/52/37/00/903523700.db2.gz JVHMKGWWXYERKL-RYUDHWBXSA-N 2 1 294.399 -0.545 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](C(C)C)C2)C1 ZINC001407377628 903585385 /nfs/dbraw/zinc/58/53/85/903585385.db2.gz RKFZTMIDMZGYLJ-DZGCQCFKSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](C(C)C)C2)C1 ZINC001407377628 903585393 /nfs/dbraw/zinc/58/53/93/903585393.db2.gz RKFZTMIDMZGYLJ-DZGCQCFKSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@@H+](C(C)C)C2)C1 ZINC001407377628 903585405 /nfs/dbraw/zinc/58/54/05/903585405.db2.gz RKFZTMIDMZGYLJ-DZGCQCFKSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@H+](C(C)C)C2)C1 ZINC001407377628 903585413 /nfs/dbraw/zinc/58/54/13/903585413.db2.gz RKFZTMIDMZGYLJ-DZGCQCFKSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NCC2(O)C[NH+](CC3CC3)C2)C1 ZINC001407430450 903605518 /nfs/dbraw/zinc/60/55/18/903605518.db2.gz NTVSHMJEBODCRJ-GFCCVEGCSA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)C[NH+](CC3CC3)C2)C1 ZINC001407430450 903605523 /nfs/dbraw/zinc/60/55/23/903605523.db2.gz NTVSHMJEBODCRJ-GFCCVEGCSA-N 2 1 281.400 -0.099 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001407555817 903627173 /nfs/dbraw/zinc/62/71/73/903627173.db2.gz CVRMJACUXBYHLS-TXEJJXNPSA-N 2 1 282.388 -0.926 20 0 CBADMP CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001407645420 903639460 /nfs/dbraw/zinc/63/94/60/903639460.db2.gz UNMREAATASFEKK-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001407645420 903639469 /nfs/dbraw/zinc/63/94/69/903639469.db2.gz UNMREAATASFEKK-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@]2(CO)CCC[N@H+](CC)C2)C1 ZINC001407645420 903639474 /nfs/dbraw/zinc/63/94/74/903639474.db2.gz UNMREAATASFEKK-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CC)C2)C1 ZINC001407645420 903639484 /nfs/dbraw/zinc/63/94/84/903639484.db2.gz UNMREAATASFEKK-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001407907998 903678259 /nfs/dbraw/zinc/67/82/59/903678259.db2.gz XEGHCFXTSJLICH-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001407907998 903678271 /nfs/dbraw/zinc/67/82/71/903678271.db2.gz XEGHCFXTSJLICH-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001407907998 903678281 /nfs/dbraw/zinc/67/82/81/903678281.db2.gz XEGHCFXTSJLICH-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001408334982 903752672 /nfs/dbraw/zinc/75/26/72/903752672.db2.gz HQGIDCFVCDPGJG-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001408334982 903752677 /nfs/dbraw/zinc/75/26/77/903752677.db2.gz HQGIDCFVCDPGJG-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP COC(=O)[C@](C)(O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC001460192887 914768057 /nfs/dbraw/zinc/76/80/57/914768057.db2.gz GENUJMOGGFNCPU-CQSZACIVSA-N 2 1 289.420 -0.274 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC(=O)N1CCC1 ZINC001409696690 903958528 /nfs/dbraw/zinc/95/85/28/903958528.db2.gz YQXKPBLFPAXZDJ-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CC(=O)N1CCC1 ZINC001409696690 903958537 /nfs/dbraw/zinc/95/85/37/903958537.db2.gz YQXKPBLFPAXZDJ-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001409701819 903964336 /nfs/dbraw/zinc/96/43/36/903964336.db2.gz YYIYYMQJDRPQPT-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001409701819 903964345 /nfs/dbraw/zinc/96/43/45/903964345.db2.gz YYIYYMQJDRPQPT-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001409701819 903964353 /nfs/dbraw/zinc/96/43/53/903964353.db2.gz YYIYYMQJDRPQPT-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001409701819 903964357 /nfs/dbraw/zinc/96/43/57/903964357.db2.gz YYIYYMQJDRPQPT-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CCCC[C@H](C[NH2+]CC(=O)NC)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001409844593 903974425 /nfs/dbraw/zinc/97/44/25/903974425.db2.gz OWSMBIUTWHLWSA-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001409905436 903982768 /nfs/dbraw/zinc/98/27/68/903982768.db2.gz GPEVXTFIPZFVSE-NEPJUHHUSA-N 2 1 298.431 -0.101 20 0 CBADMP COC(=O)[C@@](C)(O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC001460192518 914770647 /nfs/dbraw/zinc/77/06/47/914770647.db2.gz GENUJMOGGFNCPU-AWEZNQCLSA-N 2 1 289.420 -0.274 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CCC1 ZINC001410050764 904001491 /nfs/dbraw/zinc/00/14/91/904001491.db2.gz DJRGRHUUPWOBKP-CNDDSTCGSA-N 2 1 294.399 -0.750 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001410227974 904050514 /nfs/dbraw/zinc/05/05/14/904050514.db2.gz GRJFANAGNATLDK-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)[C@@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001410268199 904058327 /nfs/dbraw/zinc/05/83/27/904058327.db2.gz KRZURNLYXRZUSA-CHWSQXEVSA-N 2 1 298.431 -0.066 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410336847 904072463 /nfs/dbraw/zinc/07/24/63/904072463.db2.gz WGGGLHCKHOEXRM-OLZOCXBDSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410379543 904087642 /nfs/dbraw/zinc/08/76/42/904087642.db2.gz NDFUXYMQIKCIFP-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001410424259 904095842 /nfs/dbraw/zinc/09/58/42/904095842.db2.gz LVOBEORUKSHDPZ-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP Cc1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001410797704 904187258 /nfs/dbraw/zinc/18/72/58/904187258.db2.gz ZNZNSFZIPGBXAP-NEPJUHHUSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001410797704 904187264 /nfs/dbraw/zinc/18/72/64/904187264.db2.gz ZNZNSFZIPGBXAP-NEPJUHHUSA-N 2 1 296.371 -0.499 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H]1C ZINC001410868201 904200508 /nfs/dbraw/zinc/20/05/08/904200508.db2.gz VPAOZYIHYXTZFA-GHMZBOCLSA-N 2 1 270.377 -0.609 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001411042748 904227480 /nfs/dbraw/zinc/22/74/80/904227480.db2.gz LXWUMPZKAAEDQH-YPMHNXCESA-N 2 1 287.404 -0.740 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001411218533 904262847 /nfs/dbraw/zinc/26/28/47/904262847.db2.gz PYDKQCIJSQNRHT-RYUDHWBXSA-N 2 1 298.431 -0.066 20 0 CBADMP 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 904263416 /nfs/dbraw/zinc/26/34/16/904263416.db2.gz ZTNWYDCZNJWPSL-UTUOFQBUSA-N 2 1 298.431 -0.068 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001480623744 916499726 /nfs/dbraw/zinc/49/97/26/916499726.db2.gz MSCWQDKIACVSFS-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[C@H]1CN(C(=O)CC[N@H+]2CC[C@@H](F)C2)CCN1CCO ZINC001412050466 904432582 /nfs/dbraw/zinc/43/25/82/904432582.db2.gz KYMADZXJQZUMRU-QWHCGFSZSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+]2CC[C@@H](F)C2)CC[N@H+]1CCO ZINC001412050466 904432599 /nfs/dbraw/zinc/43/25/99/904432599.db2.gz KYMADZXJQZUMRU-QWHCGFSZSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@H]1CN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC[NH+]1CCO ZINC001412050466 904432606 /nfs/dbraw/zinc/43/26/06/904432606.db2.gz KYMADZXJQZUMRU-QWHCGFSZSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@H]1CN(C(=O)CC[N@H+]2CC[C@@H](F)C2)CC[NH+]1CCO ZINC001412050466 904432614 /nfs/dbraw/zinc/43/26/14/904432614.db2.gz KYMADZXJQZUMRU-QWHCGFSZSA-N 2 1 287.379 -0.055 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001412491209 904593234 /nfs/dbraw/zinc/59/32/34/904593234.db2.gz AFXCSZWNHIRXJI-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+](C)CCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001412491209 904593242 /nfs/dbraw/zinc/59/32/42/904593242.db2.gz AFXCSZWNHIRXJI-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+](C)CCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001412491209 904593255 /nfs/dbraw/zinc/59/32/55/904593255.db2.gz AFXCSZWNHIRXJI-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+]1CC[C@H]1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC001412532196 904610937 /nfs/dbraw/zinc/61/09/37/904610937.db2.gz LHBDFHGGMLEEMZ-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CC[N@H+]1CC[C@H]1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC001412532196 904610948 /nfs/dbraw/zinc/61/09/48/904610948.db2.gz LHBDFHGGMLEEMZ-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)C(C)(C)O ZINC001412969087 904832932 /nfs/dbraw/zinc/83/29/32/904832932.db2.gz XKUHXLCJKBRUHP-ZDUSSCGKSA-N 2 1 273.421 -0.313 20 0 CBADMP COC(=O)[C@H]1CN(CCCN2CCOCC2)CC[N@H+](C)C1 ZINC001413999216 905307580 /nfs/dbraw/zinc/30/75/80/905307580.db2.gz KPJFRCJITWHJCP-CQSZACIVSA-N 2 1 299.415 -0.255 20 0 CBADMP COC(=O)[C@H]1CN(CCCN2CCOCC2)CC[N@@H+](C)C1 ZINC001413999216 905307599 /nfs/dbraw/zinc/30/75/99/905307599.db2.gz KPJFRCJITWHJCP-CQSZACIVSA-N 2 1 299.415 -0.255 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415258468 905593947 /nfs/dbraw/zinc/59/39/47/905593947.db2.gz QGNHXDMQIGPXJK-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001416005063 905691494 /nfs/dbraw/zinc/69/14/94/905691494.db2.gz FRTCXJAQZVDXQW-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N1CC(NC(=O)C[N@@H+](C)C(C)C)C1)[NH+](C)C ZINC001416005215 905691985 /nfs/dbraw/zinc/69/19/85/905691985.db2.gz HZBZGXGOCNMMLV-CYBMUJFWSA-N 2 1 298.431 -0.006 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001416897091 905829032 /nfs/dbraw/zinc/82/90/32/905829032.db2.gz YGKXDTDMSWQOJO-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001416897094 905829790 /nfs/dbraw/zinc/82/97/90/905829790.db2.gz YGKXDTDMSWQOJO-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001417742689 906039484 /nfs/dbraw/zinc/03/94/84/906039484.db2.gz AMZFPMWCFQSXFP-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CCc2cnc[nH]2)C1)C(N)=O ZINC001417789478 906050560 /nfs/dbraw/zinc/05/05/60/906050560.db2.gz ALAAZBSDPJKFEK-NHCYSSNCSA-N 2 1 293.371 -0.300 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001417781544 906051522 /nfs/dbraw/zinc/05/15/22/906051522.db2.gz RCCDOZNCXDJAAF-RWMBFGLXSA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001417814936 906059418 /nfs/dbraw/zinc/05/94/18/906059418.db2.gz QCQQKQFYLMMRQB-UPJWGTAASA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CCCO)CC1 ZINC001417917343 906104714 /nfs/dbraw/zinc/10/47/14/906104714.db2.gz LUQMPJUOMKMTMN-AWEZNQCLSA-N 2 1 298.431 -0.803 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nncn2C)C1 ZINC001418069919 906157971 /nfs/dbraw/zinc/15/79/71/906157971.db2.gz BVBHQZYKJATRIF-HAQNSBGRSA-N 2 1 294.403 -0.106 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001418108113 906173014 /nfs/dbraw/zinc/17/30/14/906173014.db2.gz HANDUYZSQUNLPK-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418121429 906176209 /nfs/dbraw/zinc/17/62/09/906176209.db2.gz DOPRVFODBDYJKP-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001418232076 906228279 /nfs/dbraw/zinc/22/82/79/906228279.db2.gz BRKQOXIHIZKKHH-WDEREUQCSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001418244505 906238118 /nfs/dbraw/zinc/23/81/18/906238118.db2.gz YQAMERCNXZWLNO-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001418261580 906241913 /nfs/dbraw/zinc/24/19/13/906241913.db2.gz AASVOEXJCZVQPR-AGIUHOORSA-N 2 1 287.404 -0.428 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001418261581 906242299 /nfs/dbraw/zinc/24/22/99/906242299.db2.gz AASVOEXJCZVQPR-AVGNSLFASA-N 2 1 287.404 -0.428 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001418314794 906276710 /nfs/dbraw/zinc/27/67/10/906276710.db2.gz VDMPQICHMWMQHA-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001418341593 906292248 /nfs/dbraw/zinc/29/22/48/906292248.db2.gz DQICQUREIVXBLN-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001418354752 906295451 /nfs/dbraw/zinc/29/54/51/906295451.db2.gz KJZVPURNMDXWES-LLVKDONJSA-N 2 1 295.391 -0.900 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001418352035 906296957 /nfs/dbraw/zinc/29/69/57/906296957.db2.gz GVTISDKOVSEWID-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001418431975 906321813 /nfs/dbraw/zinc/32/18/13/906321813.db2.gz QZULRXURJTWHMW-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](O)CCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001418449560 906337286 /nfs/dbraw/zinc/33/72/86/906337286.db2.gz XMXMUKYXMAYQCM-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](O)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001418449560 906337302 /nfs/dbraw/zinc/33/73/02/906337302.db2.gz XMXMUKYXMAYQCM-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](O)CCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001418449560 906337317 /nfs/dbraw/zinc/33/73/17/906337317.db2.gz XMXMUKYXMAYQCM-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](O)CCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001418449560 906337324 /nfs/dbraw/zinc/33/73/24/906337324.db2.gz XMXMUKYXMAYQCM-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCn1cncn1 ZINC001418486184 906357811 /nfs/dbraw/zinc/35/78/11/906357811.db2.gz FDXRGAKGQVBZMT-GFCCVEGCSA-N 2 1 280.376 -0.580 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CCn1cncn1 ZINC001418486184 906357821 /nfs/dbraw/zinc/35/78/21/906357821.db2.gz FDXRGAKGQVBZMT-GFCCVEGCSA-N 2 1 280.376 -0.580 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CCn1cncn1 ZINC001418486184 906357833 /nfs/dbraw/zinc/35/78/33/906357833.db2.gz FDXRGAKGQVBZMT-GFCCVEGCSA-N 2 1 280.376 -0.580 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001418495615 906370114 /nfs/dbraw/zinc/37/01/14/906370114.db2.gz OJLVFTHWALMMMM-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001418495615 906370130 /nfs/dbraw/zinc/37/01/30/906370130.db2.gz OJLVFTHWALMMMM-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001418513240 906380509 /nfs/dbraw/zinc/38/05/09/906380509.db2.gz WFTUPYFHTNMFKK-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@H](O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001418513240 906380517 /nfs/dbraw/zinc/38/05/17/906380517.db2.gz WFTUPYFHTNMFKK-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@H](O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001418513240 906380528 /nfs/dbraw/zinc/38/05/28/906380528.db2.gz WFTUPYFHTNMFKK-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)C[C@@H](C)O)C1 ZINC001418524399 906388855 /nfs/dbraw/zinc/38/88/55/906388855.db2.gz KPCLLZBVQANNSR-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)C[C@@H](C)O)C1 ZINC001418524399 906388868 /nfs/dbraw/zinc/38/88/68/906388868.db2.gz KPCLLZBVQANNSR-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)C[C@@H](C)O)C1 ZINC001418524399 906388881 /nfs/dbraw/zinc/38/88/81/906388881.db2.gz KPCLLZBVQANNSR-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)C[C@@H](C)O)C1 ZINC001418524399 906388896 /nfs/dbraw/zinc/38/88/96/906388896.db2.gz KPCLLZBVQANNSR-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001418539018 906402090 /nfs/dbraw/zinc/40/20/90/906402090.db2.gz HQSPRUOLMJVECO-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCNC1=O ZINC001418539018 906402098 /nfs/dbraw/zinc/40/20/98/906402098.db2.gz HQSPRUOLMJVECO-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCNC1=O ZINC001418539018 906402105 /nfs/dbraw/zinc/40/21/05/906402105.db2.gz HQSPRUOLMJVECO-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)CC(=O)N(C)C ZINC001418548487 906404672 /nfs/dbraw/zinc/40/46/72/906404672.db2.gz GBXQVCCIOIAGRT-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)CC(=O)N(C)C ZINC001418548487 906404677 /nfs/dbraw/zinc/40/46/77/906404677.db2.gz GBXQVCCIOIAGRT-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+](C)C1CCC1)CC(=O)N(C)C ZINC001418548487 906404681 /nfs/dbraw/zinc/40/46/81/906404681.db2.gz GBXQVCCIOIAGRT-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)CC(=O)N(C)C ZINC001418548487 906404684 /nfs/dbraw/zinc/40/46/84/906404684.db2.gz GBXQVCCIOIAGRT-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001418669896 906442512 /nfs/dbraw/zinc/44/25/12/906442512.db2.gz CSPKTUWUXNQPKS-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001418669901 906442542 /nfs/dbraw/zinc/44/25/42/906442542.db2.gz CSPKTUWUXNQPKS-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)CCC1 ZINC001418659559 906443978 /nfs/dbraw/zinc/44/39/78/906443978.db2.gz OJLFWHPGUQMAKD-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001418691389 906450066 /nfs/dbraw/zinc/45/00/66/906450066.db2.gz ALIDVPVBSPUORG-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001418701558 906451716 /nfs/dbraw/zinc/45/17/16/906451716.db2.gz KBIRWIPMIZSFRM-CYDGBPFRSA-N 2 1 296.415 -0.314 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001418706088 906453285 /nfs/dbraw/zinc/45/32/85/906453285.db2.gz HIKJPDPIMKQVKL-XYPYZODXSA-N 2 1 270.377 -0.704 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001418798116 906475057 /nfs/dbraw/zinc/47/50/57/906475057.db2.gz OQJJFHIZAFZMDF-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001418798116 906475066 /nfs/dbraw/zinc/47/50/66/906475066.db2.gz OQJJFHIZAFZMDF-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001418798116 906475074 /nfs/dbraw/zinc/47/50/74/906475074.db2.gz OQJJFHIZAFZMDF-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001418798116 906475078 /nfs/dbraw/zinc/47/50/78/906475078.db2.gz OQJJFHIZAFZMDF-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001418812712 906484144 /nfs/dbraw/zinc/48/41/44/906484144.db2.gz NBOYAALAVACTPJ-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001418812712 906484159 /nfs/dbraw/zinc/48/41/59/906484159.db2.gz NBOYAALAVACTPJ-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001418831928 906488799 /nfs/dbraw/zinc/48/87/99/906488799.db2.gz PQXBKZQZNHPPMV-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001418831882 906489255 /nfs/dbraw/zinc/48/92/55/906489255.db2.gz PQXBKZQZNHPPMV-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001418934854 906517428 /nfs/dbraw/zinc/51/74/28/906517428.db2.gz MFABOODNRZANMX-STQMWFEESA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001418934854 906517440 /nfs/dbraw/zinc/51/74/40/906517440.db2.gz MFABOODNRZANMX-STQMWFEESA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001418934854 906517455 /nfs/dbraw/zinc/51/74/55/906517455.db2.gz MFABOODNRZANMX-STQMWFEESA-N 2 1 296.415 -0.406 20 0 CBADMP C[C@H](O)CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001419013319 906561024 /nfs/dbraw/zinc/56/10/24/906561024.db2.gz DCAFRLAHSQSSRO-JSGCOSHPSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](O)CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001419013319 906561029 /nfs/dbraw/zinc/56/10/29/906561029.db2.gz DCAFRLAHSQSSRO-JSGCOSHPSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCC(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001419032276 906568953 /nfs/dbraw/zinc/56/89/53/906568953.db2.gz GUDNQLAHINMNJH-LBPRGKRZSA-N 2 1 282.388 -0.735 20 0 CBADMP COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001419056632 906579604 /nfs/dbraw/zinc/57/96/04/906579604.db2.gz SXEARVUPNJOQRU-MELADBBJSA-N 2 1 297.399 -0.625 20 0 CBADMP COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001419056632 906579614 /nfs/dbraw/zinc/57/96/14/906579614.db2.gz SXEARVUPNJOQRU-MELADBBJSA-N 2 1 297.399 -0.625 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001419058684 906583866 /nfs/dbraw/zinc/58/38/66/906583866.db2.gz GGMVFBLNNOSWPW-XJFOESAGSA-N 2 1 299.415 -0.476 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001419058684 906583886 /nfs/dbraw/zinc/58/38/86/906583886.db2.gz GGMVFBLNNOSWPW-XJFOESAGSA-N 2 1 299.415 -0.476 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001419058684 906583900 /nfs/dbraw/zinc/58/39/00/906583900.db2.gz GGMVFBLNNOSWPW-XJFOESAGSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001419086549 906591996 /nfs/dbraw/zinc/59/19/96/906591996.db2.gz GUWXGNXPPHKEIW-UTUOFQBUSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001419086549 906592010 /nfs/dbraw/zinc/59/20/10/906592010.db2.gz GUWXGNXPPHKEIW-UTUOFQBUSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@@H](CC)C(N)=O ZINC001419287418 906657804 /nfs/dbraw/zinc/65/78/04/906657804.db2.gz QJYUMAGZXIVYNN-NEPJUHHUSA-N 2 1 295.387 -0.060 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001419387428 906673030 /nfs/dbraw/zinc/67/30/30/906673030.db2.gz UBCCBMUEGPVZGZ-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001419403376 906679466 /nfs/dbraw/zinc/67/94/66/906679466.db2.gz LOOQQDAASCOBQG-AVGNSLFASA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001419422069 906682927 /nfs/dbraw/zinc/68/29/27/906682927.db2.gz GVPLQGUQCQRJKO-JOCQHMNTSA-N 2 1 296.415 -0.156 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001419537520 906717015 /nfs/dbraw/zinc/71/70/15/906717015.db2.gz DUXBXNUAOCKDCM-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001419538284 906717534 /nfs/dbraw/zinc/71/75/34/906717534.db2.gz FPFORSKQNGXTHZ-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001419572069 906733351 /nfs/dbraw/zinc/73/33/51/906733351.db2.gz WNFPRYNWIOULPJ-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001419572069 906733368 /nfs/dbraw/zinc/73/33/68/906733368.db2.gz WNFPRYNWIOULPJ-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001419687231 906766971 /nfs/dbraw/zinc/76/69/71/906766971.db2.gz HEOSUKFJQMGRAT-WCQYABFASA-N 2 1 298.387 -0.365 20 0 CBADMP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001419712704 906779207 /nfs/dbraw/zinc/77/92/07/906779207.db2.gz DBHXMUJRWJBGGQ-MNOVXSKESA-N 2 1 297.407 -0.513 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nncn1C ZINC001419733925 906791135 /nfs/dbraw/zinc/79/11/35/906791135.db2.gz BBSZAHDYAJWEAI-IJLUTSLNSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1nncn1C ZINC001419733925 906791150 /nfs/dbraw/zinc/79/11/50/906791150.db2.gz BBSZAHDYAJWEAI-IJLUTSLNSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)C[NH+]1CCCC1 ZINC001419750846 906800075 /nfs/dbraw/zinc/80/00/75/906800075.db2.gz WLGWLYOYRFSJEH-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1nnnn1C ZINC001419782694 906814342 /nfs/dbraw/zinc/81/43/42/906814342.db2.gz ZSGWJAOTMPOFPV-SNVBAGLBSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1nnnn1C ZINC001419782694 906814352 /nfs/dbraw/zinc/81/43/52/906814352.db2.gz ZSGWJAOTMPOFPV-SNVBAGLBSA-N 2 1 295.391 -0.711 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001419787493 906817092 /nfs/dbraw/zinc/81/70/92/906817092.db2.gz HFNQDRINUFAYQK-KOLCDFICSA-N 2 1 281.360 -0.580 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001419848548 906830980 /nfs/dbraw/zinc/83/09/80/906830980.db2.gz JAXOEUWGHUBNKT-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001419902642 906849917 /nfs/dbraw/zinc/84/99/17/906849917.db2.gz ONHURLQBDFNSMP-VXGBXAGGSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cnn(C)n1 ZINC001419900660 906849960 /nfs/dbraw/zinc/84/99/60/906849960.db2.gz NQVDDRXZCLRHHA-NSHDSACASA-N 2 1 292.387 -0.495 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001419904766 906853414 /nfs/dbraw/zinc/85/34/14/906853414.db2.gz QIXKUZLEPKARTD-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001419909079 906856143 /nfs/dbraw/zinc/85/61/43/906856143.db2.gz QHBPOLNDWQMNTI-QWHCGFSZSA-N 2 1 298.431 -0.195 20 0 CBADMP COC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001419963193 906875510 /nfs/dbraw/zinc/87/55/10/906875510.db2.gz XUXREMBTJJCSJQ-OLZOCXBDSA-N 2 1 287.404 -0.258 20 0 CBADMP COC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001419963193 906875515 /nfs/dbraw/zinc/87/55/15/906875515.db2.gz XUXREMBTJJCSJQ-OLZOCXBDSA-N 2 1 287.404 -0.258 20 0 CBADMP COC[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001419963193 906875527 /nfs/dbraw/zinc/87/55/27/906875527.db2.gz XUXREMBTJJCSJQ-OLZOCXBDSA-N 2 1 287.404 -0.258 20 0 CBADMP COC[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001419963193 906875544 /nfs/dbraw/zinc/87/55/44/906875544.db2.gz XUXREMBTJJCSJQ-OLZOCXBDSA-N 2 1 287.404 -0.258 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001420005454 906895539 /nfs/dbraw/zinc/89/55/39/906895539.db2.gz GQCRRDVADIUDFP-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001420010527 906896207 /nfs/dbraw/zinc/89/62/07/906896207.db2.gz IDSNOHISBMRZLL-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001420013634 906900005 /nfs/dbraw/zinc/90/00/05/906900005.db2.gz XJYQPPAZZHPVNI-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1nnn(C)n1 ZINC001420125134 906958646 /nfs/dbraw/zinc/95/86/46/906958646.db2.gz NIGJDCGQIBQWIN-SNVBAGLBSA-N 2 1 283.380 -0.854 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccns2)C1 ZINC001420187524 907000264 /nfs/dbraw/zinc/00/02/64/907000264.db2.gz FQUXOWIMQRZTHO-QWRGUYRKSA-N 2 1 298.412 -0.339 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@H]1CCOC1 ZINC001420195890 907007406 /nfs/dbraw/zinc/00/74/06/907007406.db2.gz MGCAVAHPTNZCCG-CHWSQXEVSA-N 2 1 285.388 -0.599 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@H]1CCOC1 ZINC001420195890 907007420 /nfs/dbraw/zinc/00/74/20/907007420.db2.gz MGCAVAHPTNZCCG-CHWSQXEVSA-N 2 1 285.388 -0.599 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C[C@H]1CCOC1 ZINC001420195890 907007444 /nfs/dbraw/zinc/00/74/44/907007444.db2.gz MGCAVAHPTNZCCG-CHWSQXEVSA-N 2 1 285.388 -0.599 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C[C@H]1CCOC1 ZINC001420195890 907007462 /nfs/dbraw/zinc/00/74/62/907007462.db2.gz MGCAVAHPTNZCCG-CHWSQXEVSA-N 2 1 285.388 -0.599 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001420244499 907043685 /nfs/dbraw/zinc/04/36/85/907043685.db2.gz OHXYMBORGVPCFT-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001420244499 907043659 /nfs/dbraw/zinc/04/36/59/907043659.db2.gz OHXYMBORGVPCFT-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001420244499 907043664 /nfs/dbraw/zinc/04/36/64/907043664.db2.gz OHXYMBORGVPCFT-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001420244499 907043673 /nfs/dbraw/zinc/04/36/73/907043673.db2.gz OHXYMBORGVPCFT-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001420270070 907059657 /nfs/dbraw/zinc/05/96/57/907059657.db2.gz BGCBNDBZECTSHE-NEPJUHHUSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001420276913 907068126 /nfs/dbraw/zinc/06/81/26/907068126.db2.gz BBYKHJZXFXIPOR-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)[C@H]2CCNC2=O)CC[N@H+]1C ZINC001420276913 907068131 /nfs/dbraw/zinc/06/81/31/907068131.db2.gz BBYKHJZXFXIPOR-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[N@H+](C)[C@H]2CCNC2=O)CC[NH+]1C ZINC001420276913 907068134 /nfs/dbraw/zinc/06/81/34/907068134.db2.gz BBYKHJZXFXIPOR-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)CC[NH+]1C ZINC001420276913 907068137 /nfs/dbraw/zinc/06/81/37/907068137.db2.gz BBYKHJZXFXIPOR-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@H+](CCNC(=O)CC[NH+]1CCOCC1)C[C@@H]1CCOC1 ZINC001420310471 907089468 /nfs/dbraw/zinc/08/94/68/907089468.db2.gz XCVVAPDJRLZGBN-AWEZNQCLSA-N 2 1 299.415 -0.207 20 0 CBADMP C[N@@H+](CCNC(=O)CC[NH+]1CCOCC1)C[C@@H]1CCOC1 ZINC001420310471 907089486 /nfs/dbraw/zinc/08/94/86/907089486.db2.gz XCVVAPDJRLZGBN-AWEZNQCLSA-N 2 1 299.415 -0.207 20 0 CBADMP CCCNC(=O)CN(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420345361 907112966 /nfs/dbraw/zinc/11/29/66/907112966.db2.gz MARINDFSDIOQKE-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@H](C)OC ZINC001420379182 907127282 /nfs/dbraw/zinc/12/72/82/907127282.db2.gz IPOZEUIPFSKPEL-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@H](C)OC ZINC001420379182 907127291 /nfs/dbraw/zinc/12/72/91/907127291.db2.gz IPOZEUIPFSKPEL-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C[C@H](C)OC ZINC001420379182 907127299 /nfs/dbraw/zinc/12/72/99/907127299.db2.gz IPOZEUIPFSKPEL-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C[C@H](C)OC ZINC001420379182 907127306 /nfs/dbraw/zinc/12/73/06/907127306.db2.gz IPOZEUIPFSKPEL-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[N@H+](C)C1CCC1 ZINC001420433127 907157786 /nfs/dbraw/zinc/15/77/86/907157786.db2.gz CURGZFWNQHPMIO-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001420433127 907157797 /nfs/dbraw/zinc/15/77/97/907157797.db2.gz CURGZFWNQHPMIO-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001420449440 907163606 /nfs/dbraw/zinc/16/36/06/907163606.db2.gz UFLDCKBUBWQSNF-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCNC1=O ZINC001420449440 907163612 /nfs/dbraw/zinc/16/36/12/907163612.db2.gz UFLDCKBUBWQSNF-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC001420449440 907163618 /nfs/dbraw/zinc/16/36/18/907163618.db2.gz UFLDCKBUBWQSNF-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001420449435 907167370 /nfs/dbraw/zinc/16/73/70/907167370.db2.gz UFLDCKBUBWQSNF-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCNC1=O ZINC001420449435 907167379 /nfs/dbraw/zinc/16/73/79/907167379.db2.gz UFLDCKBUBWQSNF-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC001420449435 907167385 /nfs/dbraw/zinc/16/73/85/907167385.db2.gz UFLDCKBUBWQSNF-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420535073 907197103 /nfs/dbraw/zinc/19/71/03/907197103.db2.gz DWUBUDKPXCEWDI-RYUDHWBXSA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001420535073 907197112 /nfs/dbraw/zinc/19/71/12/907197112.db2.gz DWUBUDKPXCEWDI-RYUDHWBXSA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001420535073 907197118 /nfs/dbraw/zinc/19/71/18/907197118.db2.gz DWUBUDKPXCEWDI-RYUDHWBXSA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)CCC[NH+](C)C ZINC001420614998 907242269 /nfs/dbraw/zinc/24/22/69/907242269.db2.gz RACAAVWXHUJDCD-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)CCC[NH+](C)C ZINC001420614998 907242276 /nfs/dbraw/zinc/24/22/76/907242276.db2.gz RACAAVWXHUJDCD-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001420669337 907262216 /nfs/dbraw/zinc/26/22/16/907262216.db2.gz DPRXVXQGNDRALR-UHFFFAOYSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@@H+](CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001420669337 907262228 /nfs/dbraw/zinc/26/22/28/907262228.db2.gz DPRXVXQGNDRALR-UHFFFAOYSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001420711484 907272379 /nfs/dbraw/zinc/27/23/79/907272379.db2.gz CRYMZRVGUKEBFW-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001420745943 907293200 /nfs/dbraw/zinc/29/32/00/907293200.db2.gz HKNHTWSZDYZWMY-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001420745940 907296251 /nfs/dbraw/zinc/29/62/51/907296251.db2.gz HKNHTWSZDYZWMY-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH+](C)C1(C(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)CCC1 ZINC001420855820 907327742 /nfs/dbraw/zinc/32/77/42/907327742.db2.gz HRQOAYOTUHKYNH-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420882671 907335247 /nfs/dbraw/zinc/33/52/47/907335247.db2.gz BZCKRIAQQIDTPA-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCC[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001420882671 907335265 /nfs/dbraw/zinc/33/52/65/907335265.db2.gz BZCKRIAQQIDTPA-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001420882671 907335283 /nfs/dbraw/zinc/33/52/83/907335283.db2.gz BZCKRIAQQIDTPA-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001420890877 907343754 /nfs/dbraw/zinc/34/37/54/907343754.db2.gz MTTBYNNUTYRQJZ-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001420890877 907343775 /nfs/dbraw/zinc/34/37/75/907343775.db2.gz MTTBYNNUTYRQJZ-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001420890877 907343796 /nfs/dbraw/zinc/34/37/96/907343796.db2.gz MTTBYNNUTYRQJZ-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001420936684 907363348 /nfs/dbraw/zinc/36/33/48/907363348.db2.gz IAWDOBSUJZJPFX-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001420937980 907367108 /nfs/dbraw/zinc/36/71/08/907367108.db2.gz GKIBGBNJELZMEP-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP COC[C@H](O)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001420976953 907382358 /nfs/dbraw/zinc/38/23/58/907382358.db2.gz MOSOTONFBINYPL-CHWSQXEVSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC(=O)NC)CC1 ZINC001420994790 907385266 /nfs/dbraw/zinc/38/52/66/907385266.db2.gz UDWMMIJBWFYOQS-UHFFFAOYSA-N 2 1 270.377 -0.687 20 0 CBADMP CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001502026417 921320535 /nfs/dbraw/zinc/32/05/35/921320535.db2.gz QOVJHACJVRWPQT-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001421097046 907425968 /nfs/dbraw/zinc/42/59/68/907425968.db2.gz AATIGKJFBOQUSY-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421239701 907472284 /nfs/dbraw/zinc/47/22/84/907472284.db2.gz FPBXZMLHWWNAKP-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421239701 907472301 /nfs/dbraw/zinc/47/23/01/907472301.db2.gz FPBXZMLHWWNAKP-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421239699 907472659 /nfs/dbraw/zinc/47/26/59/907472659.db2.gz FPBXZMLHWWNAKP-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421239699 907472670 /nfs/dbraw/zinc/47/26/70/907472670.db2.gz FPBXZMLHWWNAKP-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001421232804 907473167 /nfs/dbraw/zinc/47/31/67/907473167.db2.gz BHXCBUMBVUMLIY-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001421232804 907473172 /nfs/dbraw/zinc/47/31/72/907473172.db2.gz BHXCBUMBVUMLIY-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001421257099 907475050 /nfs/dbraw/zinc/47/50/50/907475050.db2.gz VBVYCYXEQOGOSG-DOMZBBRYSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001421306698 907484824 /nfs/dbraw/zinc/48/48/24/907484824.db2.gz AQSCYBMRKKUHRR-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001421306698 907484832 /nfs/dbraw/zinc/48/48/32/907484832.db2.gz AQSCYBMRKKUHRR-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001421393331 907523715 /nfs/dbraw/zinc/52/37/15/907523715.db2.gz RZFZELYYXRPEPQ-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP O=C(NC[C@@]1(O)CCN(CCF)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001421399938 907527541 /nfs/dbraw/zinc/52/75/41/907527541.db2.gz QPLHSJIUKWRUGC-GJZGRUSLSA-N 2 1 299.390 -0.005 20 0 CBADMP O=C(NC[C@@]1(O)CC[NH+](CCF)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001421399938 907527549 /nfs/dbraw/zinc/52/75/49/907527549.db2.gz QPLHSJIUKWRUGC-GJZGRUSLSA-N 2 1 299.390 -0.005 20 0 CBADMP O=C(NC[C@@]1(O)CC[NH+](CCF)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001421399938 907527563 /nfs/dbraw/zinc/52/75/63/907527563.db2.gz QPLHSJIUKWRUGC-GJZGRUSLSA-N 2 1 299.390 -0.005 20 0 CBADMP O=C(NC[C@@]1(O)CC[N@H+](CCF)C1)[C@@]12CC[NH+](C1)CCC2 ZINC001421399938 907527575 /nfs/dbraw/zinc/52/75/75/907527575.db2.gz QPLHSJIUKWRUGC-GJZGRUSLSA-N 2 1 299.390 -0.005 20 0 CBADMP O=C(NC[C@@]1(O)CC[N@@H+](CCF)C1)[C@@]12CC[NH+](C1)CCC2 ZINC001421399938 907527588 /nfs/dbraw/zinc/52/75/88/907527588.db2.gz QPLHSJIUKWRUGC-GJZGRUSLSA-N 2 1 299.390 -0.005 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001421529757 907575550 /nfs/dbraw/zinc/57/55/50/907575550.db2.gz NOMBIQKWWAGXDB-VXGBXAGGSA-N 2 1 293.371 -0.497 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001421529755 907576529 /nfs/dbraw/zinc/57/65/29/907576529.db2.gz NOMBIQKWWAGXDB-RYUDHWBXSA-N 2 1 293.371 -0.497 20 0 CBADMP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001421571918 907581247 /nfs/dbraw/zinc/58/12/47/907581247.db2.gz QOEDLCQTNOYRMW-OAHLLOKOSA-N 2 1 298.431 -0.053 20 0 CBADMP COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001421575759 907584065 /nfs/dbraw/zinc/58/40/65/907584065.db2.gz YFYGSXGXTDLRPJ-MJBXVCDLSA-N 2 1 299.415 -0.664 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)N(C)C ZINC001421688364 907614495 /nfs/dbraw/zinc/61/44/95/907614495.db2.gz DMMKCZCFCBZMOO-YNEHKIRRSA-N 2 1 298.431 -0.243 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001421698448 907617604 /nfs/dbraw/zinc/61/76/04/907617604.db2.gz HJJIXUMVEMTQOJ-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001421759612 907635799 /nfs/dbraw/zinc/63/57/99/907635799.db2.gz OMRWNQQAMCJKMM-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C(C)C ZINC001421903067 907673309 /nfs/dbraw/zinc/67/33/09/907673309.db2.gz QWDLARRTTANXSK-UHFFFAOYSA-N 2 1 286.420 -0.147 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001421903067 907673318 /nfs/dbraw/zinc/67/33/18/907673318.db2.gz QWDLARRTTANXSK-UHFFFAOYSA-N 2 1 286.420 -0.147 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001421903067 907673325 /nfs/dbraw/zinc/67/33/25/907673325.db2.gz QWDLARRTTANXSK-UHFFFAOYSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]Cc1nnnn1C ZINC001421971028 907694359 /nfs/dbraw/zinc/69/43/59/907694359.db2.gz FPUTUZZDHWUJSI-LLVKDONJSA-N 2 1 297.407 -0.512 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]Cc1nnnn1C ZINC001421971028 907694370 /nfs/dbraw/zinc/69/43/70/907694370.db2.gz FPUTUZZDHWUJSI-LLVKDONJSA-N 2 1 297.407 -0.512 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001421985219 907700055 /nfs/dbraw/zinc/70/00/55/907700055.db2.gz DYIRPZGKMVJWIA-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](O)C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001422040968 907706544 /nfs/dbraw/zinc/70/65/44/907706544.db2.gz GHLDVEKYIRJWCF-QWHCGFSZSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](O)C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001422040968 907706551 /nfs/dbraw/zinc/70/65/51/907706551.db2.gz GHLDVEKYIRJWCF-QWHCGFSZSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001422040965 907707772 /nfs/dbraw/zinc/70/77/72/907707772.db2.gz GHLDVEKYIRJWCF-OLZOCXBDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001422040965 907707784 /nfs/dbraw/zinc/70/77/84/907707784.db2.gz GHLDVEKYIRJWCF-OLZOCXBDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cnon1 ZINC001422067815 907708678 /nfs/dbraw/zinc/70/86/78/907708678.db2.gz SWPDTDHIQGHSCI-CMPLNLGQSA-N 2 1 281.360 -0.042 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cnon1 ZINC001422067831 907711627 /nfs/dbraw/zinc/71/16/27/907711627.db2.gz SWPDTDHIQGHSCI-PWSUYJOCSA-N 2 1 281.360 -0.042 20 0 CBADMP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001422111510 907721595 /nfs/dbraw/zinc/72/15/95/907721595.db2.gz XOSXMDZWSCYPMH-NWDGAFQWSA-N 2 1 284.404 -0.456 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O ZINC001422230408 907751522 /nfs/dbraw/zinc/75/15/22/907751522.db2.gz IQAHIXBMHHJEQW-NSHDSACASA-N 2 1 272.393 -0.409 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O ZINC001422230408 907751534 /nfs/dbraw/zinc/75/15/34/907751534.db2.gz IQAHIXBMHHJEQW-NSHDSACASA-N 2 1 272.393 -0.409 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001422230408 907751542 /nfs/dbraw/zinc/75/15/42/907751542.db2.gz IQAHIXBMHHJEQW-NSHDSACASA-N 2 1 272.393 -0.409 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001422230408 907751551 /nfs/dbraw/zinc/75/15/51/907751551.db2.gz IQAHIXBMHHJEQW-NSHDSACASA-N 2 1 272.393 -0.409 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001502390453 921350317 /nfs/dbraw/zinc/35/03/17/921350317.db2.gz FJBOYROXANPQRO-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001502390453 921350328 /nfs/dbraw/zinc/35/03/28/921350328.db2.gz FJBOYROXANPQRO-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC001422268155 907768965 /nfs/dbraw/zinc/76/89/65/907768965.db2.gz SSGMWIWICHRNOO-STQMWFEESA-N 2 1 295.387 -0.919 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001502390452 921352476 /nfs/dbraw/zinc/35/24/76/921352476.db2.gz FJBOYROXANPQRO-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001502390452 921352487 /nfs/dbraw/zinc/35/24/87/921352487.db2.gz FJBOYROXANPQRO-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001422395372 907839358 /nfs/dbraw/zinc/83/93/58/907839358.db2.gz WBXUKLPGQUWJDS-WDEREUQCSA-N 2 1 282.392 -0.250 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NC ZINC001422419937 907850398 /nfs/dbraw/zinc/85/03/98/907850398.db2.gz OSBOAIBZHJACPO-MNOVXSKESA-N 2 1 272.393 -0.443 20 0 CBADMP C[C@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001422537377 907915797 /nfs/dbraw/zinc/91/57/97/907915797.db2.gz ZDQVBEBWCBXCJZ-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001422549408 907917434 /nfs/dbraw/zinc/91/74/34/907917434.db2.gz KRPJQPFQTLNMLS-XQHKEYJVSA-N 2 1 298.431 -0.055 20 0 CBADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)CC(=O)N(C)C ZINC001422548456 907917787 /nfs/dbraw/zinc/91/77/87/907917787.db2.gz DHLDKBLKTAUOIF-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@@H+](C)CC(=O)N(C)C ZINC001422548456 907917796 /nfs/dbraw/zinc/91/77/96/907917796.db2.gz DHLDKBLKTAUOIF-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[NH2+]C[C@H](C)O)NC(=O)CC[NH+]1CCOCC1 ZINC001422584060 907932230 /nfs/dbraw/zinc/93/22/30/907932230.db2.gz UPWXGCZKJQHYND-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC(=O)N(C)C ZINC001422597962 907940642 /nfs/dbraw/zinc/94/06/42/907940642.db2.gz LPBPIJCAXDIYOR-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CC(=O)N(C)C ZINC001422597962 907940652 /nfs/dbraw/zinc/94/06/52/907940652.db2.gz LPBPIJCAXDIYOR-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001422618285 907946341 /nfs/dbraw/zinc/94/63/41/907946341.db2.gz YEQVJLCXYJGAHU-SNVBAGLBSA-N 2 1 281.360 -0.578 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001422658242 907968934 /nfs/dbraw/zinc/96/89/34/907968934.db2.gz AWQHQGHEQXOEIR-WCQYABFASA-N 2 1 296.415 -0.027 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001422662751 907972172 /nfs/dbraw/zinc/97/21/72/907972172.db2.gz XAZFGOHKVBOAOJ-JTQLQIEISA-N 2 1 270.377 -0.689 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001422694676 907975497 /nfs/dbraw/zinc/97/54/97/907975497.db2.gz BZQMGENUGSHMQY-SRVKXCTJSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC(=O)NC2CC2)C1 ZINC001422728054 907988135 /nfs/dbraw/zinc/98/81/35/907988135.db2.gz CKQDLCIKMSHJGP-NSHDSACASA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCCO)C2)C1 ZINC001502599471 921369986 /nfs/dbraw/zinc/36/99/86/921369986.db2.gz ADYOIWBVWBGXFE-ZFWWWQNUSA-N 2 1 299.415 -0.736 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CCCO)C2)C1 ZINC001502599469 921370058 /nfs/dbraw/zinc/37/00/58/921370058.db2.gz ADYOIWBVWBGXFE-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422748142 907995808 /nfs/dbraw/zinc/99/58/08/907995808.db2.gz WFKDECXABDATKG-RYUDHWBXSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422748142 907995823 /nfs/dbraw/zinc/99/58/23/907995823.db2.gz WFKDECXABDATKG-RYUDHWBXSA-N 2 1 294.403 -0.156 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001422785130 908007899 /nfs/dbraw/zinc/00/78/99/908007899.db2.gz QKIGMPIRSUESNB-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001422785130 908007910 /nfs/dbraw/zinc/00/79/10/908007910.db2.gz QKIGMPIRSUESNB-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001422785130 908007928 /nfs/dbraw/zinc/00/79/28/908007928.db2.gz QKIGMPIRSUESNB-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001422785130 908007944 /nfs/dbraw/zinc/00/79/44/908007944.db2.gz QKIGMPIRSUESNB-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001422939046 908061266 /nfs/dbraw/zinc/06/12/66/908061266.db2.gz UNGDYQDAYIJIJA-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001422939046 908061280 /nfs/dbraw/zinc/06/12/80/908061280.db2.gz UNGDYQDAYIJIJA-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[N@H+](C)[C@H](C)C(=O)N(C)C)NC(=O)C[NH+]1CCCC1 ZINC001422939042 908061327 /nfs/dbraw/zinc/06/13/27/908061327.db2.gz UNGDYQDAYIJIJA-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H](C)C(=O)N(C)C)NC(=O)C[NH+]1CCCC1 ZINC001422939042 908061338 /nfs/dbraw/zinc/06/13/38/908061338.db2.gz UNGDYQDAYIJIJA-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001422986885 908068682 /nfs/dbraw/zinc/06/86/82/908068682.db2.gz MSSXIEJFRFRPMJ-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001423037209 908086569 /nfs/dbraw/zinc/08/65/69/908086569.db2.gz FHTGVEQDDZZCPM-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001423131278 908119152 /nfs/dbraw/zinc/11/91/52/908119152.db2.gz JJZRRBXDRSPGDZ-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001423131278 908119157 /nfs/dbraw/zinc/11/91/57/908119157.db2.gz JJZRRBXDRSPGDZ-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP Cn1nncc1C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001423304819 908197934 /nfs/dbraw/zinc/19/79/34/908197934.db2.gz UYSXGIUNJAKDJY-NSHDSACASA-N 2 1 292.387 -0.495 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001423307720 908198250 /nfs/dbraw/zinc/19/82/50/908198250.db2.gz QTZGONKBPYIOIH-KGLIPLIRSA-N 2 1 299.415 -0.569 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001423409686 908221714 /nfs/dbraw/zinc/22/17/14/908221714.db2.gz YEXLZAJLJDWDTK-NSHDSACASA-N 2 1 284.404 -0.362 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CCCC1 ZINC001423515680 908266070 /nfs/dbraw/zinc/26/60/70/908266070.db2.gz OJECZWHCTXGJDN-OLZOCXBDSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423530762 908274203 /nfs/dbraw/zinc/27/42/03/908274203.db2.gz HQKNDEKTHDEHPW-OLZOCXBDSA-N 2 1 299.415 -0.786 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001423569238 908284278 /nfs/dbraw/zinc/28/42/78/908284278.db2.gz BELGTNHVYOUXLX-GZBFAFLISA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001423569238 908284290 /nfs/dbraw/zinc/28/42/90/908284290.db2.gz BELGTNHVYOUXLX-GZBFAFLISA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001423569238 908284304 /nfs/dbraw/zinc/28/43/04/908284304.db2.gz BELGTNHVYOUXLX-GZBFAFLISA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001424039456 908397706 /nfs/dbraw/zinc/39/77/06/908397706.db2.gz KGORQSPECHQSRS-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001424039456 908397721 /nfs/dbraw/zinc/39/77/21/908397721.db2.gz KGORQSPECHQSRS-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@H](C)O)CCC2)C1 ZINC001424212901 908422523 /nfs/dbraw/zinc/42/25/23/908422523.db2.gz GPNFSMLICAZXEL-QWHCGFSZSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@H](C)O)CCC2)C1 ZINC001424212901 908422534 /nfs/dbraw/zinc/42/25/34/908422534.db2.gz GPNFSMLICAZXEL-QWHCGFSZSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001424214396 908423230 /nfs/dbraw/zinc/42/32/30/908423230.db2.gz IPLMJDJNPJPGGX-GFCCVEGCSA-N 2 1 285.388 -0.672 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001424214396 908423241 /nfs/dbraw/zinc/42/32/41/908423241.db2.gz IPLMJDJNPJPGGX-GFCCVEGCSA-N 2 1 285.388 -0.672 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@@H](C)O)CCC2)C1 ZINC001424212887 908423429 /nfs/dbraw/zinc/42/34/29/908423429.db2.gz GPNFSMLICAZXEL-OLZOCXBDSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@@H](C)O)CCC2)C1 ZINC001424212887 908423442 /nfs/dbraw/zinc/42/34/42/908423442.db2.gz GPNFSMLICAZXEL-OLZOCXBDSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CCC[NH+](C)[C@@H]1CCNC1=O ZINC001424329128 908444607 /nfs/dbraw/zinc/44/46/07/908444607.db2.gz HHOQOXCXBGGSMY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CCC[N@H+](C)[C@@H]1CCNC1=O ZINC001424329128 908444614 /nfs/dbraw/zinc/44/46/14/908444614.db2.gz HHOQOXCXBGGSMY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001424329128 908444620 /nfs/dbraw/zinc/44/46/20/908444620.db2.gz HHOQOXCXBGGSMY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H]([NH2+]CC1CC(NC(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001424722352 908492912 /nfs/dbraw/zinc/49/29/12/908492912.db2.gz AABFXNVGOCCRHD-VOMCLLRMSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC2CC(C[NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001424733955 908493404 /nfs/dbraw/zinc/49/34/04/908493404.db2.gz ZZIVFMLENGGWTC-QCXCNERSSA-N 2 1 296.415 -0.314 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CC(N)=O ZINC001425010569 908553005 /nfs/dbraw/zinc/55/30/05/908553005.db2.gz LUDGGLARMCBTQC-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)CC(N)=O ZINC001425010569 908553016 /nfs/dbraw/zinc/55/30/16/908553016.db2.gz LUDGGLARMCBTQC-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)CC(N)=O ZINC001425010569 908553024 /nfs/dbraw/zinc/55/30/24/908553024.db2.gz LUDGGLARMCBTQC-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)CC(N)=O ZINC001425010569 908553034 /nfs/dbraw/zinc/55/30/34/908553034.db2.gz LUDGGLARMCBTQC-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H]1CCNC1=O ZINC001425047808 908557976 /nfs/dbraw/zinc/55/79/76/908557976.db2.gz ACOJMNWXBGRPFB-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC001425047808 908557987 /nfs/dbraw/zinc/55/79/87/908557987.db2.gz ACOJMNWXBGRPFB-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001425047808 908557998 /nfs/dbraw/zinc/55/79/98/908557998.db2.gz ACOJMNWXBGRPFB-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)C(N)=O ZINC001425058211 908564575 /nfs/dbraw/zinc/56/45/75/908564575.db2.gz SQYHEORWLTWEFU-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)C(N)=O ZINC001425058211 908564588 /nfs/dbraw/zinc/56/45/88/908564588.db2.gz SQYHEORWLTWEFU-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001425058211 908564596 /nfs/dbraw/zinc/56/45/96/908564596.db2.gz SQYHEORWLTWEFU-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001425058211 908564604 /nfs/dbraw/zinc/56/46/04/908564604.db2.gz SQYHEORWLTWEFU-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)NC(=O)CC[NH+](C)C ZINC001425170360 908579989 /nfs/dbraw/zinc/57/99/89/908579989.db2.gz WWAIVSIAOVFNQE-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001425166749 908580740 /nfs/dbraw/zinc/58/07/40/908580740.db2.gz VGRUQJGIPMIPOV-OLZOCXBDSA-N 2 1 298.431 -0.114 20 0 CBADMP CCN(C)C(=O)C[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001425252446 908594814 /nfs/dbraw/zinc/59/48/14/908594814.db2.gz JGDWTRIHVWETRF-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP 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 908643988 /nfs/dbraw/zinc/64/39/88/908643988.db2.gz DLRPMAKWBZLOSN-ZDEQEGDKSA-N 2 1 296.415 -0.314 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@@H]1CCNC1=O ZINC001505444961 921427984 /nfs/dbraw/zinc/42/79/84/921427984.db2.gz LRAPHRFWHOKCIJ-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001425548230 908674525 /nfs/dbraw/zinc/67/45/25/908674525.db2.gz PODDTMMWVHIQPT-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001425666292 908690151 /nfs/dbraw/zinc/69/01/51/908690151.db2.gz UVFUGVIPJCGSAM-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001425803644 908746116 /nfs/dbraw/zinc/74/61/16/908746116.db2.gz OMDXOMDTVSYWDP-AAEUAGOBSA-N 2 1 298.387 -0.110 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC2CC2)C1 ZINC001425842548 908762591 /nfs/dbraw/zinc/76/25/91/908762591.db2.gz QIKUEQMIWWEDBH-QWHCGFSZSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC2CC2)C1 ZINC001425842548 908762597 /nfs/dbraw/zinc/76/25/97/908762597.db2.gz QIKUEQMIWWEDBH-QWHCGFSZSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H]1C ZINC001425881295 908772815 /nfs/dbraw/zinc/77/28/15/908772815.db2.gz JXMIZYFZWNSJBD-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@H]1C ZINC001425883427 908775088 /nfs/dbraw/zinc/77/50/88/908775088.db2.gz DQEFVMUHIMRXFH-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001425928087 908782909 /nfs/dbraw/zinc/78/29/09/908782909.db2.gz YNHWOYAWDDOOBH-PWSUYJOCSA-N 2 1 293.371 -0.483 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001425978967 908793176 /nfs/dbraw/zinc/79/31/76/908793176.db2.gz XFRRXNQBMXXDBK-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP Cc1nc(C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)co1 ZINC001426032845 908809382 /nfs/dbraw/zinc/80/93/82/908809382.db2.gz WFTYSPOXVVJCEN-CYBMUJFWSA-N 2 1 298.387 -0.156 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001426076888 908824288 /nfs/dbraw/zinc/82/42/88/908824288.db2.gz KLUGHLXWQYPZTQ-KGLIPLIRSA-N 2 1 299.415 -0.928 20 0 CBADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001426223382 908850656 /nfs/dbraw/zinc/85/06/56/908850656.db2.gz KVFIVULTMCJVJH-HIFPTAJRSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NC ZINC001505725288 921473148 /nfs/dbraw/zinc/47/31/48/921473148.db2.gz RNTOWMALQHFJHH-MNOVXSKESA-N 2 1 272.393 -0.443 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001430297108 909324304 /nfs/dbraw/zinc/32/43/04/909324304.db2.gz XNNJYBVUXRIWNV-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001430297083 909324911 /nfs/dbraw/zinc/32/49/11/909324911.db2.gz XEGYUPHOIWMDIW-UHFFFAOYSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC(=O)N1CCC1 ZINC001505885712 921493385 /nfs/dbraw/zinc/49/33/85/921493385.db2.gz BIWHTKAGEXITDM-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)CC(=O)N1CCC1 ZINC001505885712 921493391 /nfs/dbraw/zinc/49/33/91/921493391.db2.gz BIWHTKAGEXITDM-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)CC(=O)N1CCC1 ZINC001505885712 921493403 /nfs/dbraw/zinc/49/34/03/921493403.db2.gz BIWHTKAGEXITDM-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)CC(=O)N1CCC1 ZINC001505885712 921493409 /nfs/dbraw/zinc/49/34/09/921493409.db2.gz BIWHTKAGEXITDM-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@@H+](C)CCO ZINC001505920455 921500133 /nfs/dbraw/zinc/50/01/33/921500133.db2.gz NAKHRJYNJICUCS-AAEUAGOBSA-N 2 1 269.389 -0.243 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001505921792 921502707 /nfs/dbraw/zinc/50/27/07/921502707.db2.gz ACTWABBFDSUDPL-SDDRHHMPSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001505921792 921502717 /nfs/dbraw/zinc/50/27/17/921502717.db2.gz ACTWABBFDSUDPL-SDDRHHMPSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001505921792 921502728 /nfs/dbraw/zinc/50/27/28/921502728.db2.gz ACTWABBFDSUDPL-SDDRHHMPSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001505921792 921502736 /nfs/dbraw/zinc/50/27/36/921502736.db2.gz ACTWABBFDSUDPL-SDDRHHMPSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001432264198 909600009 /nfs/dbraw/zinc/60/00/09/909600009.db2.gz BNRANSWCLXQVAI-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001505991393 921520121 /nfs/dbraw/zinc/52/01/21/921520121.db2.gz RRFBOZJAFMYPIP-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)N(C)CC(N)=O ZINC001506045907 921529139 /nfs/dbraw/zinc/52/91/39/921529139.db2.gz FZXHTAPLSBGJMM-FZMZJTMJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH+](C)CC(N)=O ZINC001506045907 921529148 /nfs/dbraw/zinc/52/91/48/921529148.db2.gz FZXHTAPLSBGJMM-FZMZJTMJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H](CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)[NH+](C)CC(N)=O ZINC001506045907 921529157 /nfs/dbraw/zinc/52/91/57/921529157.db2.gz FZXHTAPLSBGJMM-FZMZJTMJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H](CNC(=O)[C@@]12CC[NH+](C1)CCC2)[N@H+](C)CC(N)=O ZINC001506045907 921529162 /nfs/dbraw/zinc/52/91/62/921529162.db2.gz FZXHTAPLSBGJMM-FZMZJTMJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H](CNC(=O)[C@@]12CC[NH+](C1)CCC2)[N@@H+](C)CC(N)=O ZINC001506045907 921529168 /nfs/dbraw/zinc/52/91/68/921529168.db2.gz FZXHTAPLSBGJMM-FZMZJTMJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCO)CC[N@H+]1C ZINC001507498605 921856091 /nfs/dbraw/zinc/85/60/91/921856091.db2.gz AMVNNULFXYXJAM-AVGNSLFASA-N 2 1 287.404 -0.882 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH+](C)CCCO)C1 ZINC001506060833 921533904 /nfs/dbraw/zinc/53/39/04/921533904.db2.gz JNVZAISVWHXFBK-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH+](C)CCCO)C1 ZINC001506060833 921533909 /nfs/dbraw/zinc/53/39/09/921533909.db2.gz JNVZAISVWHXFBK-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H](C)[N@H+](C)CCCO)C1 ZINC001506060833 921533918 /nfs/dbraw/zinc/53/39/18/921533918.db2.gz JNVZAISVWHXFBK-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCCO)C1 ZINC001506060833 921533926 /nfs/dbraw/zinc/53/39/26/921533926.db2.gz JNVZAISVWHXFBK-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H]1CCNC1=O ZINC001506065071 921535490 /nfs/dbraw/zinc/53/54/90/921535490.db2.gz IPAZYADSWGGIGG-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC001506065071 921535498 /nfs/dbraw/zinc/53/54/98/921535498.db2.gz IPAZYADSWGGIGG-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001506065071 921535510 /nfs/dbraw/zinc/53/55/10/921535510.db2.gz IPAZYADSWGGIGG-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP C[C@H](O)[C@H](O)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001434487031 910227501 /nfs/dbraw/zinc/22/75/01/910227501.db2.gz GZEJVLNQZZQOIO-SMDDNHRTSA-N 2 1 272.389 -0.039 20 0 CBADMP CN(C[C@H]1CC[N@@H+]1CCCO)C(=O)CC[NH+]1CCOCC1 ZINC001436323404 910422044 /nfs/dbraw/zinc/42/20/44/910422044.db2.gz PJEICBCRKPPXBK-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCCO)C(=O)CC[NH+]1CCOCC1 ZINC001436323404 910422055 /nfs/dbraw/zinc/42/20/55/910422055.db2.gz PJEICBCRKPPXBK-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001436358012 910433031 /nfs/dbraw/zinc/43/30/31/910433031.db2.gz MBMHNPVNCFMZLC-MCIONIFRSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)N(C)C ZINC001436437532 910442834 /nfs/dbraw/zinc/44/28/34/910442834.db2.gz GDUONNKGMCADRF-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001436868426 910497257 /nfs/dbraw/zinc/49/72/57/910497257.db2.gz CHMWUNRNHQLJSV-NSHDSACASA-N 2 1 279.344 -0.872 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)C1)[NH+](C)C ZINC001436911757 910508417 /nfs/dbraw/zinc/50/84/17/910508417.db2.gz IZEJOWOGUBVHQI-GVXVVHGQSA-N 2 1 294.403 -0.108 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC)C1 ZINC001436927630 910509347 /nfs/dbraw/zinc/50/93/47/910509347.db2.gz UDJQXGNULGEGRU-HAQNSBGRSA-N 2 1 284.404 -0.299 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001436915659 910510568 /nfs/dbraw/zinc/51/05/68/910510568.db2.gz RJILIYVNNIJSRP-XYPYZODXSA-N 2 1 284.404 -0.314 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001436960441 910517771 /nfs/dbraw/zinc/51/77/71/910517771.db2.gz OMTOOIOQHUZYHY-GRYCIOLGSA-N 2 1 282.388 -0.547 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001436979736 910520717 /nfs/dbraw/zinc/52/07/17/910520717.db2.gz UJKGBGUHSVIXBM-XQQFMLRXSA-N 2 1 296.415 -0.158 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001437006842 910526998 /nfs/dbraw/zinc/52/69/98/910526998.db2.gz JZCNLMIKUNWXBW-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001437006842 910527007 /nfs/dbraw/zinc/52/70/07/910527007.db2.gz JZCNLMIKUNWXBW-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001437006842 910527014 /nfs/dbraw/zinc/52/70/14/910527014.db2.gz JZCNLMIKUNWXBW-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001437006842 910527020 /nfs/dbraw/zinc/52/70/20/910527020.db2.gz JZCNLMIKUNWXBW-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001436994229 910529184 /nfs/dbraw/zinc/52/91/84/910529184.db2.gz IDWYTHXZDLCCCI-TZMCWYRMSA-N 2 1 298.431 -0.114 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001436994229 910529194 /nfs/dbraw/zinc/52/91/94/910529194.db2.gz IDWYTHXZDLCCCI-TZMCWYRMSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001437120640 910550581 /nfs/dbraw/zinc/55/05/81/910550581.db2.gz FCSFOXFKYUTONQ-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CCn1ncnc1C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001437202126 910583339 /nfs/dbraw/zinc/58/33/39/910583339.db2.gz OLXNIAXINDWNJX-LLVKDONJSA-N 2 1 282.392 -0.156 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001437216755 910586116 /nfs/dbraw/zinc/58/61/16/910586116.db2.gz VSBQUWNPOXUNTK-SNVBAGLBSA-N 2 1 281.360 -0.414 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001437236717 910596852 /nfs/dbraw/zinc/59/68/52/910596852.db2.gz MKXKUFSRNXSREH-OLZOCXBDSA-N 2 1 294.403 -0.286 20 0 CBADMP CCn1cc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)nn1 ZINC001437259690 910601761 /nfs/dbraw/zinc/60/17/61/910601761.db2.gz JGIZKPSXSAAAIT-GFCCVEGCSA-N 2 1 294.403 -0.012 20 0 CBADMP CCn1ncc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)n1 ZINC001437258253 910602343 /nfs/dbraw/zinc/60/23/43/910602343.db2.gz GFIRWZWLMXVAFD-LBPRGKRZSA-N 2 1 294.403 -0.012 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCS(C)(=O)=O ZINC001437260451 910602850 /nfs/dbraw/zinc/60/28/50/910602850.db2.gz LOSCPEWQQKRLRB-GHMZBOCLSA-N 2 1 291.417 -0.923 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001437264675 910603996 /nfs/dbraw/zinc/60/39/96/910603996.db2.gz XGIHJCUUQGNAEK-JTQLQIEISA-N 2 1 281.360 -0.626 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001437505841 910664598 /nfs/dbraw/zinc/66/45/98/910664598.db2.gz HNFKAOJBKCWRFS-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001437505841 910664612 /nfs/dbraw/zinc/66/46/12/910664612.db2.gz HNFKAOJBKCWRFS-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001437505841 910664618 /nfs/dbraw/zinc/66/46/18/910664618.db2.gz HNFKAOJBKCWRFS-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001437505841 910664628 /nfs/dbraw/zinc/66/46/28/910664628.db2.gz HNFKAOJBKCWRFS-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001437542185 910682680 /nfs/dbraw/zinc/68/26/80/910682680.db2.gz SKXKBSXJTWOZSA-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001437542185 910682684 /nfs/dbraw/zinc/68/26/84/910682684.db2.gz SKXKBSXJTWOZSA-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CCC[N@H+](C)CCC(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001437558133 910684603 /nfs/dbraw/zinc/68/46/03/910684603.db2.gz VXPKRGDJJMNARQ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001437558133 910684615 /nfs/dbraw/zinc/68/46/15/910684615.db2.gz VXPKRGDJJMNARQ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CCC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001437558133 910684622 /nfs/dbraw/zinc/68/46/22/910684622.db2.gz VXPKRGDJJMNARQ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001437558133 910684634 /nfs/dbraw/zinc/68/46/34/910684634.db2.gz VXPKRGDJJMNARQ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001506675361 921601721 /nfs/dbraw/zinc/60/17/21/921601721.db2.gz KQMBKWZQLCEJGW-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001437836697 910761761 /nfs/dbraw/zinc/76/17/61/910761761.db2.gz HEYBCKKRDCGBDX-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1nncn1C ZINC001437840895 910764697 /nfs/dbraw/zinc/76/46/97/910764697.db2.gz HJAKFCQCBSJMEA-NEPJUHHUSA-N 2 1 294.403 -0.124 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)c1nncn1C ZINC001437840895 910764710 /nfs/dbraw/zinc/76/47/10/910764710.db2.gz HJAKFCQCBSJMEA-NEPJUHHUSA-N 2 1 294.403 -0.124 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001437846636 910765562 /nfs/dbraw/zinc/76/55/62/910765562.db2.gz XXKGWIWGOHKCDJ-LLVKDONJSA-N 2 1 295.387 -0.072 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O ZINC001437836702 910766697 /nfs/dbraw/zinc/76/66/97/910766697.db2.gz HEYBCKKRDCGBDX-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001506746804 921606595 /nfs/dbraw/zinc/60/65/95/921606595.db2.gz BLCJUUBBXIEDSD-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001506746804 921606603 /nfs/dbraw/zinc/60/66/03/921606603.db2.gz BLCJUUBBXIEDSD-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001438109369 910821798 /nfs/dbraw/zinc/82/17/98/910821798.db2.gz DOLXYDROGISXKB-OLZOCXBDSA-N 2 1 285.388 -0.864 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001438486922 910905478 /nfs/dbraw/zinc/90/54/78/910905478.db2.gz FVTQQYLZBVNIHI-SDDRHHMPSA-N 2 1 284.404 -0.456 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001438543229 910917356 /nfs/dbraw/zinc/91/73/56/910917356.db2.gz ZRXQNQILZOXRTF-CHWSQXEVSA-N 2 1 287.404 -0.569 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001438575839 910925414 /nfs/dbraw/zinc/92/54/14/910925414.db2.gz RQSIJTUIAQBPRQ-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001438575839 910925428 /nfs/dbraw/zinc/92/54/28/910925428.db2.gz RQSIJTUIAQBPRQ-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001438640839 910940380 /nfs/dbraw/zinc/94/03/80/910940380.db2.gz WBLDEXKXHKLEQM-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001438637482 910942611 /nfs/dbraw/zinc/94/26/11/910942611.db2.gz OPKGHHDLRHULQE-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001438653409 910947288 /nfs/dbraw/zinc/94/72/88/910947288.db2.gz QQFVWZUXGNNREF-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001438884583 910990542 /nfs/dbraw/zinc/99/05/42/910990542.db2.gz WPFYFBZHMZAZJM-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001438884583 910990553 /nfs/dbraw/zinc/99/05/53/910990553.db2.gz WPFYFBZHMZAZJM-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001438884583 910990564 /nfs/dbraw/zinc/99/05/64/910990564.db2.gz WPFYFBZHMZAZJM-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001438884583 910990574 /nfs/dbraw/zinc/99/05/74/910990574.db2.gz WPFYFBZHMZAZJM-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)on1 ZINC001438983554 911037405 /nfs/dbraw/zinc/03/74/05/911037405.db2.gz MSZNZVUSABHSJP-AAEUAGOBSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439048009 911071368 /nfs/dbraw/zinc/07/13/68/911071368.db2.gz TVMQOBHCXUXNHR-NWDGAFQWSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)no1 ZINC001439048058 911075106 /nfs/dbraw/zinc/07/51/06/911075106.db2.gz TWORQZTZUOODAF-DGCLKSJQSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)no1 ZINC001439048058 911075129 /nfs/dbraw/zinc/07/51/29/911075129.db2.gz TWORQZTZUOODAF-DGCLKSJQSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001439056819 911079174 /nfs/dbraw/zinc/07/91/74/911079174.db2.gz NYVKRRRAUPWJET-QWHCGFSZSA-N 2 1 296.371 -0.705 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(C)C)C1 ZINC001439059516 911083670 /nfs/dbraw/zinc/08/36/70/911083670.db2.gz QIRMFFCIZYHCDK-QWHCGFSZSA-N 2 1 287.404 -0.570 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(C)C)C1 ZINC001439059516 911083697 /nfs/dbraw/zinc/08/36/97/911083697.db2.gz QIRMFFCIZYHCDK-QWHCGFSZSA-N 2 1 287.404 -0.570 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CC[NH2+][C@H](C)C(N)=O ZINC001439067458 911084675 /nfs/dbraw/zinc/08/46/75/911084675.db2.gz DXUPYAHTRNXEAU-NXEZZACHSA-N 2 1 281.360 -0.450 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C1([NH+](C)C)CCC1 ZINC001439121542 911111645 /nfs/dbraw/zinc/11/16/45/911111645.db2.gz XJSOUHPBFHSAKI-SNVBAGLBSA-N 2 1 295.391 -0.711 20 0 CBADMP CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001439138717 911113895 /nfs/dbraw/zinc/11/38/95/911113895.db2.gz LQKSRSNSCWDKBS-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001439138004 911115564 /nfs/dbraw/zinc/11/55/64/911115564.db2.gz GCOHLDSWADGTCG-GMTAPVOTSA-N 2 1 295.391 -0.540 20 0 CBADMP C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001439138004 911115576 /nfs/dbraw/zinc/11/55/76/911115576.db2.gz GCOHLDSWADGTCG-GMTAPVOTSA-N 2 1 295.391 -0.540 20 0 CBADMP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001439151978 911118438 /nfs/dbraw/zinc/11/84/38/911118438.db2.gz GBTKXUCTUJKFON-VXGBXAGGSA-N 2 1 296.415 -0.299 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001439179259 911128514 /nfs/dbraw/zinc/12/85/14/911128514.db2.gz LABSNDPBZAUBKS-LLVKDONJSA-N 2 1 295.387 -0.188 20 0 CBADMP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001439220127 911142639 /nfs/dbraw/zinc/14/26/39/911142639.db2.gz GGAAAMLQIXVMBT-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001439245626 911153116 /nfs/dbraw/zinc/15/31/16/911153116.db2.gz XFESPMYBEUFISX-ZDEQEGDKSA-N 2 1 296.415 -0.301 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439268028 911161315 /nfs/dbraw/zinc/16/13/15/911161315.db2.gz FXFNCEAKCNMDGR-WDEREUQCSA-N 2 1 270.377 -0.832 20 0 CBADMP COC[C@H](C)[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001439264514 911161941 /nfs/dbraw/zinc/16/19/41/911161941.db2.gz VXOBPIRHDCNTJJ-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001439460984 911215184 /nfs/dbraw/zinc/21/51/84/911215184.db2.gz ZBHOYYSNTVANRS-CHWSQXEVSA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001506944406 921646470 /nfs/dbraw/zinc/64/64/70/921646470.db2.gz ACQMZAFGJWQAEO-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC)CC1 ZINC001439614323 911260526 /nfs/dbraw/zinc/26/05/26/911260526.db2.gz WXVUWLZDXCLKMA-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH+](C)CCC(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001439826658 911293374 /nfs/dbraw/zinc/29/33/74/911293374.db2.gz CFCZNVJCXPMZFT-CQSZACIVSA-N 2 1 298.431 -0.851 20 0 CBADMP C[C@@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001439843742 911297699 /nfs/dbraw/zinc/29/76/99/911297699.db2.gz BPJPXXKHUHKLHC-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001439843742 911297717 /nfs/dbraw/zinc/29/77/17/911297717.db2.gz BPJPXXKHUHKLHC-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC)C1 ZINC001439900903 911314360 /nfs/dbraw/zinc/31/43/60/911314360.db2.gz ISGKMULVKDAVNQ-HNNXBMFYSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)CC[N@H+]1C ZINC001439992460 911334743 /nfs/dbraw/zinc/33/47/43/911334743.db2.gz YGMYRSYAYTYRQM-NFAWXSAZSA-N 2 1 299.415 -0.738 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CCCO)C2)CC[NH+]1C ZINC001439992460 911334761 /nfs/dbraw/zinc/33/47/61/911334761.db2.gz YGMYRSYAYTYRQM-NFAWXSAZSA-N 2 1 299.415 -0.738 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)CC[NH+]1C ZINC001439992460 911334783 /nfs/dbraw/zinc/33/47/83/911334783.db2.gz YGMYRSYAYTYRQM-NFAWXSAZSA-N 2 1 299.415 -0.738 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001440013697 911351599 /nfs/dbraw/zinc/35/15/99/911351599.db2.gz VBKSKPUWEGEGSR-OAHLLOKOSA-N 2 1 299.415 -0.472 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1(O)CN(C[C@@H]2CCOC2)C1 ZINC001440088971 911377593 /nfs/dbraw/zinc/37/75/93/911377593.db2.gz QWZMCYUZQIQRBC-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001440088971 911377612 /nfs/dbraw/zinc/37/76/12/911377612.db2.gz QWZMCYUZQIQRBC-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001440148350 911387455 /nfs/dbraw/zinc/38/74/55/911387455.db2.gz KHSQFPKFMRNTSB-RWMBFGLXSA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[NH2+]CCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001440199865 911405774 /nfs/dbraw/zinc/40/57/74/911405774.db2.gz MJWRMUXCZMWLLI-GFCCVEGCSA-N 2 1 273.377 -0.864 20 0 CBADMP CC(C)[NH2+]CCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001440199865 911405785 /nfs/dbraw/zinc/40/57/85/911405785.db2.gz MJWRMUXCZMWLLI-GFCCVEGCSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001440300586 911423353 /nfs/dbraw/zinc/42/33/53/911423353.db2.gz GKVNFDSWIVJUQP-XQHKEYJVSA-N 2 1 296.415 -0.314 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001440379735 911440940 /nfs/dbraw/zinc/44/09/40/911440940.db2.gz UBMCPFZKJSEVPQ-IJLUTSLNSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001440374923 911442700 /nfs/dbraw/zinc/44/27/00/911442700.db2.gz LBGIJHHLJQGUML-JSGCOSHPSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH+](C)CC(N)=O ZINC001440480234 911460883 /nfs/dbraw/zinc/46/08/83/911460883.db2.gz KRMDQCJPSZPOTH-UHFFFAOYSA-N 2 1 272.393 -0.408 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CCC[N@H+](C)CC(N)=O ZINC001440480234 911460889 /nfs/dbraw/zinc/46/08/89/911460889.db2.gz KRMDQCJPSZPOTH-UHFFFAOYSA-N 2 1 272.393 -0.408 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CCC[N@@H+](C)CC(N)=O ZINC001440480234 911460894 /nfs/dbraw/zinc/46/08/94/911460894.db2.gz KRMDQCJPSZPOTH-UHFFFAOYSA-N 2 1 272.393 -0.408 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC)[C@@H]1C ZINC001440493418 911461919 /nfs/dbraw/zinc/46/19/19/911461919.db2.gz AOIFYIRNSACIML-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC)[C@@H]1C ZINC001440493418 911461930 /nfs/dbraw/zinc/46/19/30/911461930.db2.gz AOIFYIRNSACIML-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC)[C@@H]1C ZINC001440493418 911461943 /nfs/dbraw/zinc/46/19/43/911461943.db2.gz AOIFYIRNSACIML-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)[C@@H]1C ZINC001440493418 911461954 /nfs/dbraw/zinc/46/19/54/911461954.db2.gz AOIFYIRNSACIML-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC(N)=O ZINC001440649832 911486527 /nfs/dbraw/zinc/48/65/27/911486527.db2.gz KSQDXKAJZMHGCK-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC(N)=O ZINC001440649832 911486534 /nfs/dbraw/zinc/48/65/34/911486534.db2.gz KSQDXKAJZMHGCK-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC(=O)NC)CC[N@@H+]1C ZINC001440926437 911555246 /nfs/dbraw/zinc/55/52/46/911555246.db2.gz RIPYECANGDQRFO-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC(=O)NC)CC[N@H+]1C ZINC001440926437 911555255 /nfs/dbraw/zinc/55/52/55/911555255.db2.gz RIPYECANGDQRFO-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC)CC[NH+]1C ZINC001440926437 911555268 /nfs/dbraw/zinc/55/52/68/911555268.db2.gz RIPYECANGDQRFO-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC)CC[NH+]1C ZINC001440926437 911555282 /nfs/dbraw/zinc/55/52/82/911555282.db2.gz RIPYECANGDQRFO-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001440948085 911564045 /nfs/dbraw/zinc/56/40/45/911564045.db2.gz APIJSLJHZMBNTE-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001440948085 911564060 /nfs/dbraw/zinc/56/40/60/911564060.db2.gz APIJSLJHZMBNTE-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001440948085 911564071 /nfs/dbraw/zinc/56/40/71/911564071.db2.gz APIJSLJHZMBNTE-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001440948085 911564088 /nfs/dbraw/zinc/56/40/88/911564088.db2.gz APIJSLJHZMBNTE-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)CC(N)=O ZINC001440955231 911564224 /nfs/dbraw/zinc/56/42/24/911564224.db2.gz BWSRLSJHYNBFJI-SRVKXCTJSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)CC(N)=O ZINC001440955231 911564236 /nfs/dbraw/zinc/56/42/36/911564236.db2.gz BWSRLSJHYNBFJI-SRVKXCTJSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)CC(N)=O ZINC001440955231 911564250 /nfs/dbraw/zinc/56/42/50/911564250.db2.gz BWSRLSJHYNBFJI-SRVKXCTJSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)CC(N)=O ZINC001440955231 911564257 /nfs/dbraw/zinc/56/42/57/911564257.db2.gz BWSRLSJHYNBFJI-SRVKXCTJSA-N 2 1 284.404 -0.362 20 0 CBADMP COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001441006588 911583322 /nfs/dbraw/zinc/58/33/22/911583322.db2.gz COIYKTVZJGQNLF-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@@H+](CC(=O)NC1(CCO)CN(CCCO)C1)C1CCC1 ZINC001441045602 911594166 /nfs/dbraw/zinc/59/41/66/911594166.db2.gz LKNUTFXLJKZRFH-UHFFFAOYSA-N 2 1 299.415 -0.594 20 0 CBADMP CCN(C)C(=O)CN1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001441086622 911604194 /nfs/dbraw/zinc/60/41/94/911604194.db2.gz BNSLBOZOQOQLJN-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C)C(=O)CN1CC[C@@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001441086622 911604207 /nfs/dbraw/zinc/60/42/07/911604207.db2.gz BNSLBOZOQOQLJN-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C)C(=O)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001441246143 911632254 /nfs/dbraw/zinc/63/22/54/911632254.db2.gz CLVNDOROGBGBDF-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP CN(C)C(=O)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001441246143 911632272 /nfs/dbraw/zinc/63/22/72/911632272.db2.gz CLVNDOROGBGBDF-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001441361235 911653767 /nfs/dbraw/zinc/65/37/67/911653767.db2.gz XPYWQKYIOBOFCA-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001441361235 911653772 /nfs/dbraw/zinc/65/37/72/911653772.db2.gz XPYWQKYIOBOFCA-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507125609 921685465 /nfs/dbraw/zinc/68/54/65/921685465.db2.gz ITAUUEXTWSGQFA-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507126862 921685760 /nfs/dbraw/zinc/68/57/60/921685760.db2.gz OKKYEUATCINMCM-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1)C1CCC1 ZINC001441716802 911763798 /nfs/dbraw/zinc/76/37/98/911763798.db2.gz SYBFUPHDFNLJMC-OLZOCXBDSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CC[NH+](C)C ZINC001441834791 911829462 /nfs/dbraw/zinc/82/94/62/911829462.db2.gz JHIIPIBRAFQEGX-GHMZBOCLSA-N 2 1 295.391 -0.759 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2 ZINC001441858740 911840718 /nfs/dbraw/zinc/84/07/18/911840718.db2.gz DTJROKWYKSNDBP-WFASDCNBSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2 ZINC001441858740 911840735 /nfs/dbraw/zinc/84/07/35/911840735.db2.gz DTJROKWYKSNDBP-WFASDCNBSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CC(N)=O)CC2 ZINC001441869538 911841036 /nfs/dbraw/zinc/84/10/36/911841036.db2.gz PTXMBQJJAUQGSX-WFASDCNBSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CC(N)=O)CC2 ZINC001441869538 911841046 /nfs/dbraw/zinc/84/10/46/911841046.db2.gz PTXMBQJJAUQGSX-WFASDCNBSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2 ZINC001441869538 911841056 /nfs/dbraw/zinc/84/10/56/911841056.db2.gz PTXMBQJJAUQGSX-WFASDCNBSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2 ZINC001441869538 911841068 /nfs/dbraw/zinc/84/10/68/911841068.db2.gz PTXMBQJJAUQGSX-WFASDCNBSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC(N)=O ZINC001441904397 911849539 /nfs/dbraw/zinc/84/95/39/911849539.db2.gz PYOPOUSDZCTWRX-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1CC(N)=O ZINC001441904397 911849552 /nfs/dbraw/zinc/84/95/52/911849552.db2.gz PYOPOUSDZCTWRX-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442051479 911907992 /nfs/dbraw/zinc/90/79/92/911907992.db2.gz NQGCHDYTTWCPAU-STQMWFEESA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nncn1C ZINC001442058383 911915827 /nfs/dbraw/zinc/91/58/27/911915827.db2.gz YRHRINSVEIMBQY-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001442119931 911933190 /nfs/dbraw/zinc/93/31/90/911933190.db2.gz KMDJGSCVJKMQQE-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001442174289 911941933 /nfs/dbraw/zinc/94/19/33/911941933.db2.gz KSGRFTYIPJNBDU-GHMZBOCLSA-N 2 1 284.404 -0.456 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001442336863 911973000 /nfs/dbraw/zinc/97/30/00/911973000.db2.gz HDFPYHHVFYQYJS-GHMZBOCLSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001442336865 911976834 /nfs/dbraw/zinc/97/68/34/911976834.db2.gz HDFPYHHVFYQYJS-QWRGUYRKSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001442383794 911994236 /nfs/dbraw/zinc/99/42/36/911994236.db2.gz WMGKFCRJAUHMGA-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001442383794 911994255 /nfs/dbraw/zinc/99/42/55/911994255.db2.gz WMGKFCRJAUHMGA-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C(=O)NC1CC1)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001442383794 911994270 /nfs/dbraw/zinc/99/42/70/911994270.db2.gz WMGKFCRJAUHMGA-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C(=O)NC1CC1)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001442383794 911994285 /nfs/dbraw/zinc/99/42/85/911994285.db2.gz WMGKFCRJAUHMGA-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001442908762 912124198 /nfs/dbraw/zinc/12/41/98/912124198.db2.gz RPDCDZZKHHVMLD-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001442908762 912124207 /nfs/dbraw/zinc/12/42/07/912124207.db2.gz RPDCDZZKHHVMLD-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001442908762 912124214 /nfs/dbraw/zinc/12/42/14/912124214.db2.gz RPDCDZZKHHVMLD-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001442899871 912125919 /nfs/dbraw/zinc/12/59/19/912125919.db2.gz BEDUFGUKMFPUSM-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001442923543 912127358 /nfs/dbraw/zinc/12/73/58/912127358.db2.gz VCSUAMPYYNUFOK-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCNC1=O ZINC001442923543 912127370 /nfs/dbraw/zinc/12/73/70/912127370.db2.gz VCSUAMPYYNUFOK-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCNC1=O ZINC001442923543 912127382 /nfs/dbraw/zinc/12/73/82/912127382.db2.gz VCSUAMPYYNUFOK-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP COC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001443111970 912161527 /nfs/dbraw/zinc/16/15/27/912161527.db2.gz XFSABUUOJDCNFG-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP COC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001443111970 912161533 /nfs/dbraw/zinc/16/15/33/912161533.db2.gz XFSABUUOJDCNFG-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@H](C)C(N)=O)C1 ZINC001443348621 912188694 /nfs/dbraw/zinc/18/86/94/912188694.db2.gz YXCLBIMAOLDDDS-CHWSQXEVSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)C(N)=O)C1 ZINC001443348621 912188701 /nfs/dbraw/zinc/18/87/01/912188701.db2.gz YXCLBIMAOLDDDS-CHWSQXEVSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001443348621 912188705 /nfs/dbraw/zinc/18/87/05/912188705.db2.gz YXCLBIMAOLDDDS-CHWSQXEVSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001507337345 921811285 /nfs/dbraw/zinc/81/12/85/921811285.db2.gz CTKYHPNYWANLCP-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001468765760 915325108 /nfs/dbraw/zinc/32/51/08/915325108.db2.gz JQFDWEVWDFTGMI-KGLIPLIRSA-N 2 1 297.447 -0.032 20 0 CBADMP C[NH+](C)CC[C@](C)(O)CNC(=O)CN1CC[NH+](C)CC1 ZINC001472547346 915749216 /nfs/dbraw/zinc/74/92/16/915749216.db2.gz DOCZBNGWRXAWKM-AWEZNQCLSA-N 2 1 286.420 -0.947 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC=C(C)C)C1 ZINC001507266009 921795145 /nfs/dbraw/zinc/79/51/45/921795145.db2.gz WDEXZRVUFOOPFO-KBPBESRZSA-N 2 1 299.415 -0.260 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC=C(C)C)C1 ZINC001507266009 921795158 /nfs/dbraw/zinc/79/51/58/921795158.db2.gz WDEXZRVUFOOPFO-KBPBESRZSA-N 2 1 299.415 -0.260 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCC2CC2)C1 ZINC001507265353 921795911 /nfs/dbraw/zinc/79/59/11/921795911.db2.gz OZHVPHJVUGKOMG-ZIAGYGMSSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCC2CC2)C1 ZINC001507265353 921795920 /nfs/dbraw/zinc/79/59/20/921795920.db2.gz OZHVPHJVUGKOMG-ZIAGYGMSSA-N 2 1 299.415 -0.426 20 0 CBADMP CNC(=O)C[N@@H+]1CCCN(C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC001473812334 915863148 /nfs/dbraw/zinc/86/31/48/915863148.db2.gz QUOZDDKNPAXFRB-CQSZACIVSA-N 2 1 298.431 -0.805 20 0 CBADMP CNC(=O)C[N@H+]1CCCN(C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC001473812334 915863164 /nfs/dbraw/zinc/86/31/64/915863164.db2.gz QUOZDDKNPAXFRB-CQSZACIVSA-N 2 1 298.431 -0.805 20 0 CBADMP CNC(=O)C[NH+]1CCCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC001473812334 915863177 /nfs/dbraw/zinc/86/31/77/915863177.db2.gz QUOZDDKNPAXFRB-CQSZACIVSA-N 2 1 298.431 -0.805 20 0 CBADMP CNC(=O)C[NH+]1CCCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001473812334 915863194 /nfs/dbraw/zinc/86/31/94/915863194.db2.gz QUOZDDKNPAXFRB-CQSZACIVSA-N 2 1 298.431 -0.805 20 0 CBADMP Cn1cncc1CC[N@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001473892452 915879296 /nfs/dbraw/zinc/87/92/96/915879296.db2.gz KANPDRIEPARQIK-NWDGAFQWSA-N 2 1 253.346 -0.115 20 0 CBADMP CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001479652813 916146232 /nfs/dbraw/zinc/14/62/32/916146232.db2.gz XGBQFRBVAACPTG-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001479652813 916146249 /nfs/dbraw/zinc/14/62/49/916146249.db2.gz XGBQFRBVAACPTG-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001479652813 916146261 /nfs/dbraw/zinc/14/62/61/916146261.db2.gz XGBQFRBVAACPTG-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001479652813 916146269 /nfs/dbraw/zinc/14/62/69/916146269.db2.gz XGBQFRBVAACPTG-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](C)CCCC(=O)NCCC[N@@H+](C)[C@H]1CCNC1=O ZINC001479792919 916179237 /nfs/dbraw/zinc/17/92/37/916179237.db2.gz IBOBDQBHXVTAKH-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001479809076 916185063 /nfs/dbraw/zinc/18/50/63/916185063.db2.gz BXLUEBMRJYNFHV-GFCCVEGCSA-N 2 1 272.393 -0.504 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001479812205 916185377 /nfs/dbraw/zinc/18/53/77/916185377.db2.gz IBTOGYJGICRBDT-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH+](CCCO)C2CC2)C1 ZINC001479866288 916197280 /nfs/dbraw/zinc/19/72/80/916197280.db2.gz KTJTZDZTAIKYMX-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH+](CCCO)C2CC2)C1 ZINC001479866288 916197285 /nfs/dbraw/zinc/19/72/85/916197285.db2.gz KTJTZDZTAIKYMX-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCCC[N@H+](CCCO)C2CC2)C1 ZINC001479866288 916197293 /nfs/dbraw/zinc/19/72/93/916197293.db2.gz KTJTZDZTAIKYMX-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCCC[N@@H+](CCCO)C2CC2)C1 ZINC001479866288 916197303 /nfs/dbraw/zinc/19/73/03/916197303.db2.gz KTJTZDZTAIKYMX-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP CN(C(=O)CC[NH+](C)C)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001479891850 916201282 /nfs/dbraw/zinc/20/12/82/916201282.db2.gz FKHFVEHVWPLOFF-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+](CCO)C2CC2)C1 ZINC001479880953 916203447 /nfs/dbraw/zinc/20/34/47/916203447.db2.gz NBGBWYLVDNNTRC-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH+](CCO)C2CC2)C1 ZINC001479880953 916203467 /nfs/dbraw/zinc/20/34/67/916203467.db2.gz NBGBWYLVDNNTRC-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCCC[N@H+](CCO)C2CC2)C1 ZINC001479880953 916203483 /nfs/dbraw/zinc/20/34/83/916203483.db2.gz NBGBWYLVDNNTRC-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCCC[N@@H+](CCO)C2CC2)C1 ZINC001479880953 916203501 /nfs/dbraw/zinc/20/35/01/916203501.db2.gz NBGBWYLVDNNTRC-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001479940950 916222792 /nfs/dbraw/zinc/22/27/92/916222792.db2.gz DMLHQWRMKSIXOI-CYBMUJFWSA-N 2 1 268.405 -0.308 20 0 CBADMP COCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001479949128 916236053 /nfs/dbraw/zinc/23/60/53/916236053.db2.gz GIAGOETYMSCZTH-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP COCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001479949128 916236070 /nfs/dbraw/zinc/23/60/70/916236070.db2.gz GIAGOETYMSCZTH-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP COCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001479949128 916236088 /nfs/dbraw/zinc/23/60/88/916236088.db2.gz GIAGOETYMSCZTH-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP COCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001479949128 916236105 /nfs/dbraw/zinc/23/61/05/916236105.db2.gz GIAGOETYMSCZTH-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001480108219 916286216 /nfs/dbraw/zinc/28/62/16/916286216.db2.gz VCSKMFHTHDWCGU-RYUDHWBXSA-N 2 1 271.361 -0.846 20 0 CBADMP COCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001480108219 916286237 /nfs/dbraw/zinc/28/62/37/916286237.db2.gz VCSKMFHTHDWCGU-RYUDHWBXSA-N 2 1 271.361 -0.846 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCCO)C2)C1 ZINC001480280230 916348683 /nfs/dbraw/zinc/34/86/83/916348683.db2.gz ZXPZCAGUWXAMJY-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCCO)C2)C1 ZINC001480280230 916348703 /nfs/dbraw/zinc/34/87/03/916348703.db2.gz ZXPZCAGUWXAMJY-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C[NH2+]CCCO)C2)C1 ZINC001480280236 916349036 /nfs/dbraw/zinc/34/90/36/916349036.db2.gz ZXPZCAGUWXAMJY-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C[NH2+]CCCO)C2)C1 ZINC001480280236 916349056 /nfs/dbraw/zinc/34/90/56/916349056.db2.gz ZXPZCAGUWXAMJY-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001480436573 916403504 /nfs/dbraw/zinc/40/35/04/916403504.db2.gz SQGNQPNKMQUYQS-QWRGUYRKSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001480436573 916403516 /nfs/dbraw/zinc/40/35/16/916403516.db2.gz SQGNQPNKMQUYQS-QWRGUYRKSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001480478489 916430405 /nfs/dbraw/zinc/43/04/05/916430405.db2.gz ZKGIHEAWPYXIPI-JQWIXIFHSA-N 2 1 282.388 -0.547 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001480597542 916486223 /nfs/dbraw/zinc/48/62/23/916486223.db2.gz QVZHWZJQPJPTJT-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CCN1CCNC1=O ZINC001480597551 916486460 /nfs/dbraw/zinc/48/64/60/916486460.db2.gz RFTRFMJXVHDRIB-LBPRGKRZSA-N 2 1 299.419 -0.554 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCCF)C2)C1 ZINC001480612290 916495460 /nfs/dbraw/zinc/49/54/60/916495460.db2.gz AHCMYRHTFQWETD-RYUDHWBXSA-N 2 1 273.352 -0.133 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCCF)C2)C1 ZINC001480612290 916495472 /nfs/dbraw/zinc/49/54/72/916495472.db2.gz AHCMYRHTFQWETD-RYUDHWBXSA-N 2 1 273.352 -0.133 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCO)C1 ZINC001480638911 916506623 /nfs/dbraw/zinc/50/66/23/916506623.db2.gz XLOKUSFEHNSMCN-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]CCO)C2)CC[N@H+]1C ZINC001480646765 916510147 /nfs/dbraw/zinc/51/01/47/916510147.db2.gz UIDWHPWRJMFSAU-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480849328 916569495 /nfs/dbraw/zinc/56/94/95/916569495.db2.gz WBODXYPLKBFSCB-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480849328 916569504 /nfs/dbraw/zinc/56/95/04/916569504.db2.gz WBODXYPLKBFSCB-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480849328 916569515 /nfs/dbraw/zinc/56/95/15/916569515.db2.gz WBODXYPLKBFSCB-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480849328 916569537 /nfs/dbraw/zinc/56/95/37/916569537.db2.gz WBODXYPLKBFSCB-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001480865321 916591859 /nfs/dbraw/zinc/59/18/59/916591859.db2.gz DRCHSNAXIKTIJK-UTUOFQBUSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)[C@H]2CCNC2=O)CC[N@H+]1C ZINC001480865321 916591868 /nfs/dbraw/zinc/59/18/68/916591868.db2.gz DRCHSNAXIKTIJK-UTUOFQBUSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)[C@H]2CCNC2=O)CC[NH+]1C ZINC001480865321 916591884 /nfs/dbraw/zinc/59/18/84/916591884.db2.gz DRCHSNAXIKTIJK-UTUOFQBUSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)CC[NH+]1C ZINC001480865321 916591890 /nfs/dbraw/zinc/59/18/90/916591890.db2.gz DRCHSNAXIKTIJK-UTUOFQBUSA-N 2 1 282.388 -0.737 20 0 CBADMP C[NH+](C)C1(C(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)CCC1 ZINC001480873480 916595962 /nfs/dbraw/zinc/59/59/62/916595962.db2.gz NMJMZHKOSTZCLO-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)C1(C(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)CCC1 ZINC001480873480 916595974 /nfs/dbraw/zinc/59/59/74/916595974.db2.gz NMJMZHKOSTZCLO-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CCn1cncn1 ZINC001480880080 916598479 /nfs/dbraw/zinc/59/84/79/916598479.db2.gz VMSSCQQFRBVTJU-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)CCn1cncn1 ZINC001480880080 916598498 /nfs/dbraw/zinc/59/84/98/916598498.db2.gz VMSSCQQFRBVTJU-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)CCn1cncn1 ZINC001480880080 916598518 /nfs/dbraw/zinc/59/85/18/916598518.db2.gz VMSSCQQFRBVTJU-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001480908174 916625221 /nfs/dbraw/zinc/62/52/21/916625221.db2.gz SHNZDFPJYNCTDO-LLVKDONJSA-N 2 1 298.387 -0.819 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001480908174 916625234 /nfs/dbraw/zinc/62/52/34/916625234.db2.gz SHNZDFPJYNCTDO-LLVKDONJSA-N 2 1 298.387 -0.819 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCCN(C)C1=O ZINC001480937621 916642064 /nfs/dbraw/zinc/64/20/64/916642064.db2.gz OWBAICUXFULOFU-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCCN(C)C1=O ZINC001480937621 916642077 /nfs/dbraw/zinc/64/20/77/916642077.db2.gz OWBAICUXFULOFU-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@@H]1CCCN(C)C1=O ZINC001480937621 916642087 /nfs/dbraw/zinc/64/20/87/916642087.db2.gz OWBAICUXFULOFU-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC001480937621 916642098 /nfs/dbraw/zinc/64/20/98/916642098.db2.gz OWBAICUXFULOFU-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCOCC[N@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001480948848 916648400 /nfs/dbraw/zinc/64/84/00/916648400.db2.gz DTMXONRGWCGLQT-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CCOCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001480948848 916648408 /nfs/dbraw/zinc/64/84/08/916648408.db2.gz DTMXONRGWCGLQT-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CCOCC[NH+](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001480948848 916648414 /nfs/dbraw/zinc/64/84/14/916648414.db2.gz DTMXONRGWCGLQT-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CCOCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001480948848 916648420 /nfs/dbraw/zinc/64/84/20/916648420.db2.gz DTMXONRGWCGLQT-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H](C)O ZINC001481017126 916684156 /nfs/dbraw/zinc/68/41/56/916684156.db2.gz ZIAHIQPKLXESQO-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@H](C)O ZINC001481017126 916684175 /nfs/dbraw/zinc/68/41/75/916684175.db2.gz ZIAHIQPKLXESQO-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@H](C)O ZINC001481017126 916684194 /nfs/dbraw/zinc/68/41/94/916684194.db2.gz ZIAHIQPKLXESQO-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@@H](C)O ZINC001481017127 916689026 /nfs/dbraw/zinc/68/90/26/916689026.db2.gz ZIAHIQPKLXESQO-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@@H](C)O ZINC001481017127 916689038 /nfs/dbraw/zinc/68/90/38/916689038.db2.gz ZIAHIQPKLXESQO-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@@H](C)O ZINC001481017127 916689049 /nfs/dbraw/zinc/68/90/49/916689049.db2.gz ZIAHIQPKLXESQO-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCCNC1=O ZINC001481056542 916700468 /nfs/dbraw/zinc/70/04/68/916700468.db2.gz QYKLISBMYRJWQY-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC(=O)NC ZINC001481067716 916704153 /nfs/dbraw/zinc/70/41/53/916704153.db2.gz XFWNLERLXMLLOL-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC(=O)NC ZINC001481067716 916704163 /nfs/dbraw/zinc/70/41/63/916704163.db2.gz XFWNLERLXMLLOL-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC ZINC001481067716 916704173 /nfs/dbraw/zinc/70/41/73/916704173.db2.gz XFWNLERLXMLLOL-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC ZINC001481067716 916704190 /nfs/dbraw/zinc/70/41/90/916704190.db2.gz XFWNLERLXMLLOL-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001481122435 916722695 /nfs/dbraw/zinc/72/26/95/916722695.db2.gz ANZISYKISOLRJC-ZIAGYGMSSA-N 2 1 299.415 -0.615 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001481127408 916727106 /nfs/dbraw/zinc/72/71/06/916727106.db2.gz VDRLKZMQWATGBS-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001481127408 916727117 /nfs/dbraw/zinc/72/71/17/916727117.db2.gz VDRLKZMQWATGBS-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001481127408 916727130 /nfs/dbraw/zinc/72/71/30/916727130.db2.gz VDRLKZMQWATGBS-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP CCC[N@H+](CCCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001481133007 916728030 /nfs/dbraw/zinc/72/80/30/916728030.db2.gz HRQIJWBBTWKDNP-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[N@@H+](CCCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001481133007 916728041 /nfs/dbraw/zinc/72/80/41/916728041.db2.gz HRQIJWBBTWKDNP-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[NH+](CCCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001481133007 916728053 /nfs/dbraw/zinc/72/80/53/916728053.db2.gz HRQIJWBBTWKDNP-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[NH+](CCCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001481133007 916728061 /nfs/dbraw/zinc/72/80/61/916728061.db2.gz HRQIJWBBTWKDNP-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](CCCO)C2CC2)C1 ZINC001481163871 916739125 /nfs/dbraw/zinc/73/91/25/916739125.db2.gz YLUJSLNDGPDCMH-CYBMUJFWSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+](CCCO)C2CC2)C1 ZINC001481163871 916739133 /nfs/dbraw/zinc/73/91/33/916739133.db2.gz YLUJSLNDGPDCMH-CYBMUJFWSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCC[N@H+](CCCO)C2CC2)C1 ZINC001481163871 916739147 /nfs/dbraw/zinc/73/91/47/916739147.db2.gz YLUJSLNDGPDCMH-CYBMUJFWSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](CCCO)C2CC2)C1 ZINC001481163871 916739156 /nfs/dbraw/zinc/73/91/56/916739156.db2.gz YLUJSLNDGPDCMH-CYBMUJFWSA-N 2 1 285.388 -0.720 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH+]([C@H](C)C(N)=O)C1CC1 ZINC001481200936 916754965 /nfs/dbraw/zinc/75/49/65/916754965.db2.gz UBPJLURNKNOGHP-LLVKDONJSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]([C@H](C)C(N)=O)C1CC1 ZINC001481200936 916754984 /nfs/dbraw/zinc/75/49/84/916754984.db2.gz UBPJLURNKNOGHP-LLVKDONJSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+]([C@H](C)C(N)=O)C1CC1 ZINC001481200936 916754991 /nfs/dbraw/zinc/75/49/91/916754991.db2.gz UBPJLURNKNOGHP-LLVKDONJSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+]([C@H](C)C(N)=O)C1CC1 ZINC001481200936 916754995 /nfs/dbraw/zinc/75/49/95/916754995.db2.gz UBPJLURNKNOGHP-LLVKDONJSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001481228644 916778745 /nfs/dbraw/zinc/77/87/45/916778745.db2.gz HHJZCSQUAUERHW-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001481240729 916786219 /nfs/dbraw/zinc/78/62/19/916786219.db2.gz VWAPMVGYZWMUIJ-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1nncn1C)[NH+](C)C ZINC001481242971 916787292 /nfs/dbraw/zinc/78/72/92/916787292.db2.gz BOIDKLJSNUJREJ-ZDUSSCGKSA-N 2 1 296.419 -0.051 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001481280857 916803661 /nfs/dbraw/zinc/80/36/61/916803661.db2.gz YXCRVMDYAWYJLR-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@@H](O)C[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001481279734 916805192 /nfs/dbraw/zinc/80/51/92/916805192.db2.gz KGASXUAAZXESPP-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP CN(CC[NH2+]Cc1cnn(C)n1)C(=O)C[NH+]1CCCC1 ZINC001481315033 916813313 /nfs/dbraw/zinc/81/33/13/916813313.db2.gz QZIVPWGUNRJCFP-UHFFFAOYSA-N 2 1 280.376 -0.541 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+]CC(=O)N1CCCC1 ZINC001481306351 916817730 /nfs/dbraw/zinc/81/77/30/916817730.db2.gz NOBHGFCYIDGWPA-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP C[N@@H+](CCO)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481478712 916843671 /nfs/dbraw/zinc/84/36/71/916843671.db2.gz AOGSXSROFCDLAK-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481478712 916843682 /nfs/dbraw/zinc/84/36/82/916843682.db2.gz AOGSXSROFCDLAK-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481478712 916843690 /nfs/dbraw/zinc/84/36/90/916843690.db2.gz AOGSXSROFCDLAK-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@@H+](CCO)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481478713 916843874 /nfs/dbraw/zinc/84/38/74/916843874.db2.gz AOGSXSROFCDLAK-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001481478713 916843883 /nfs/dbraw/zinc/84/38/83/916843883.db2.gz AOGSXSROFCDLAK-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001481478713 916843896 /nfs/dbraw/zinc/84/38/96/916843896.db2.gz AOGSXSROFCDLAK-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP COCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001481523997 916858095 /nfs/dbraw/zinc/85/80/95/916858095.db2.gz HOTFDSIGGIEKTF-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001481523997 916858105 /nfs/dbraw/zinc/85/81/05/916858105.db2.gz HOTFDSIGGIEKTF-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001481523997 916858113 /nfs/dbraw/zinc/85/81/13/916858113.db2.gz HOTFDSIGGIEKTF-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001481523997 916858124 /nfs/dbraw/zinc/85/81/24/916858124.db2.gz HOTFDSIGGIEKTF-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC2C[NH+](CCOCCO)C2)C1 ZINC001481655018 916929650 /nfs/dbraw/zinc/92/96/50/916929650.db2.gz OVMNBPCAADABHT-CYBMUJFWSA-N 2 1 299.415 -0.615 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1C[NH+](C[C@@H](C)O)C1 ZINC001481655709 916931987 /nfs/dbraw/zinc/93/19/87/916931987.db2.gz DOAVFVKOEQEALN-LLVKDONJSA-N 2 1 257.378 -0.243 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001481709041 916957921 /nfs/dbraw/zinc/95/79/21/916957921.db2.gz WJOZXOTWTFSWQR-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001481709041 916957929 /nfs/dbraw/zinc/95/79/29/916957929.db2.gz WJOZXOTWTFSWQR-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001481709041 916957936 /nfs/dbraw/zinc/95/79/36/916957936.db2.gz WJOZXOTWTFSWQR-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001481709046 916959026 /nfs/dbraw/zinc/95/90/26/916959026.db2.gz WMXWDCQCMIVEHF-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001481709046 916959043 /nfs/dbraw/zinc/95/90/43/916959043.db2.gz WMXWDCQCMIVEHF-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001481709046 916959059 /nfs/dbraw/zinc/95/90/59/916959059.db2.gz WMXWDCQCMIVEHF-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001481709046 916959070 /nfs/dbraw/zinc/95/90/70/916959070.db2.gz WMXWDCQCMIVEHF-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC ZINC001481870498 917012557 /nfs/dbraw/zinc/01/25/57/917012557.db2.gz MYRLJZPCIDDRQM-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)CC ZINC001481874166 917012869 /nfs/dbraw/zinc/01/28/69/917012869.db2.gz FFLBWMOIZVXXJY-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]CCO ZINC001481879230 917012990 /nfs/dbraw/zinc/01/29/90/917012990.db2.gz ODHGWJIDBSQIBL-NSHDSACASA-N 2 1 254.334 -0.332 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001481949375 917029121 /nfs/dbraw/zinc/02/91/21/917029121.db2.gz ABLDGXYMIUZFAM-AWEZNQCLSA-N 2 1 293.371 -0.449 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001482026272 917034080 /nfs/dbraw/zinc/03/40/80/917034080.db2.gz HYLRNKSMZFKLCE-HAQNSBGRSA-N 2 1 284.404 -0.170 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CCC[C@@H]1C[NH2+]CCO ZINC001482064099 917036931 /nfs/dbraw/zinc/03/69/31/917036931.db2.gz OTWQAYUKXUVZHP-CYBMUJFWSA-N 2 1 285.388 -0.718 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001482121403 917060084 /nfs/dbraw/zinc/06/00/84/917060084.db2.gz HNJGUJNKVBTZMK-ZYHUDNBSSA-N 2 1 293.371 -0.578 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1nnn(C)n1 ZINC001482139603 917061921 /nfs/dbraw/zinc/06/19/21/917061921.db2.gz YQAARYFUZIZIDQ-SNVBAGLBSA-N 2 1 283.380 -0.996 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001482155159 917066883 /nfs/dbraw/zinc/06/68/83/917066883.db2.gz CSMOBSWJULPFOK-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001482168810 917069706 /nfs/dbraw/zinc/06/97/06/917069706.db2.gz QMKFSOQONGHQCM-SECBINFHSA-N 2 1 267.333 -0.981 20 0 CBADMP Cc1nnc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001482168780 917070716 /nfs/dbraw/zinc/07/07/16/917070716.db2.gz QJZJTALFRCEANX-ZYHUDNBSSA-N 2 1 294.403 -0.093 20 0 CBADMP Cc1nnc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001482168766 917072622 /nfs/dbraw/zinc/07/26/22/917072622.db2.gz QJZJTALFRCEANX-CMPLNLGQSA-N 2 1 294.403 -0.093 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC ZINC001482173286 917075843 /nfs/dbraw/zinc/07/58/43/917075843.db2.gz IYCAPWHTIAIXBM-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC ZINC001482173287 917076181 /nfs/dbraw/zinc/07/61/81/917076181.db2.gz IYCAPWHTIAIXBM-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP COC[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482198930 917084726 /nfs/dbraw/zinc/08/47/26/917084726.db2.gz OHWDKCGWWJVWAS-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP COC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482198930 917084736 /nfs/dbraw/zinc/08/47/36/917084736.db2.gz OHWDKCGWWJVWAS-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCO)C1 ZINC001482367347 917139927 /nfs/dbraw/zinc/13/99/27/917139927.db2.gz JFNFXRWDQGJUEA-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCO)C1 ZINC001482367347 917139935 /nfs/dbraw/zinc/13/99/35/917139935.db2.gz JFNFXRWDQGJUEA-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CN(CC[N@H+](C)CC(=O)N1CCC1)C(=O)CC[NH+](C)C ZINC001482625287 917187079 /nfs/dbraw/zinc/18/70/79/917187079.db2.gz PZGPGHAWGLCZMK-UHFFFAOYSA-N 2 1 284.404 -0.439 20 0 CBADMP CN(CC[N@@H+](C)CC(=O)N1CCC1)C(=O)CC[NH+](C)C ZINC001482625287 917187087 /nfs/dbraw/zinc/18/70/87/917187087.db2.gz PZGPGHAWGLCZMK-UHFFFAOYSA-N 2 1 284.404 -0.439 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001482649224 917198454 /nfs/dbraw/zinc/19/84/54/917198454.db2.gz IZCVKTRIDPNHOZ-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001482649224 917198469 /nfs/dbraw/zinc/19/84/69/917198469.db2.gz IZCVKTRIDPNHOZ-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482649224 917198475 /nfs/dbraw/zinc/19/84/75/917198475.db2.gz IZCVKTRIDPNHOZ-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482649224 917198492 /nfs/dbraw/zinc/19/84/92/917198492.db2.gz IZCVKTRIDPNHOZ-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]C(C)C ZINC001482752384 917250609 /nfs/dbraw/zinc/25/06/09/917250609.db2.gz ZYHKBYFCKUTWGQ-NSHDSACASA-N 2 1 254.334 -0.333 20 0 CBADMP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001482860673 917314925 /nfs/dbraw/zinc/31/49/25/917314925.db2.gz KENRTZQXVYTCQW-WDEREUQCSA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482899302 917324190 /nfs/dbraw/zinc/32/41/90/917324190.db2.gz NRYFNCKPNZJYHY-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCN(CC[NH2+]Cc1nncn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482966952 917349411 /nfs/dbraw/zinc/34/94/11/917349411.db2.gz JKJUNCKFCUUHNI-GFCCVEGCSA-N 2 1 294.403 -0.295 20 0 CBADMP CCN(CC[NH2+]Cc1nncn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482966952 917349418 /nfs/dbraw/zinc/34/94/18/917349418.db2.gz JKJUNCKFCUUHNI-GFCCVEGCSA-N 2 1 294.403 -0.295 20 0 CBADMP CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001482969042 917350646 /nfs/dbraw/zinc/35/06/46/917350646.db2.gz GFCAHPDSGFZTIU-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001482969042 917350653 /nfs/dbraw/zinc/35/06/53/917350653.db2.gz GFCAHPDSGFZTIU-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001483013368 917375262 /nfs/dbraw/zinc/37/52/62/917375262.db2.gz ZIVWTZXRGBEWOF-ZFDPJTLLSA-N 2 1 296.415 -0.133 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC ZINC001483099338 917409082 /nfs/dbraw/zinc/40/90/82/917409082.db2.gz XLTMHGDLHQXDIS-URWSZGRFSA-N 2 1 296.415 -0.131 20 0 CBADMP C[C@H](C[NH2+]CC1CCOCC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483118565 917416496 /nfs/dbraw/zinc/41/64/96/917416496.db2.gz YDMZZIBAOKATMN-TZMCWYRMSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@H](C[NH2+]CC1CCOCC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483118565 917416513 /nfs/dbraw/zinc/41/65/13/917416513.db2.gz YDMZZIBAOKATMN-TZMCWYRMSA-N 2 1 299.415 -0.162 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001483149348 917434440 /nfs/dbraw/zinc/43/44/40/917434440.db2.gz FOCODCNXQAPDBH-ZYHUDNBSSA-N 2 1 293.371 -0.483 20 0 CBADMP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001483141491 917435502 /nfs/dbraw/zinc/43/55/02/917435502.db2.gz UOTOZXMWODGOPE-DGCLKSJQSA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483184584 917459011 /nfs/dbraw/zinc/45/90/11/917459011.db2.gz RDOZKUVWJKGJKG-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001483235175 917487691 /nfs/dbraw/zinc/48/76/91/917487691.db2.gz DFUUVUPKVOOSCD-VIFPVBQESA-N 2 1 256.350 -0.950 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483283524 917505705 /nfs/dbraw/zinc/50/57/05/917505705.db2.gz SBRIRLTTZIMWMP-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483283524 917505716 /nfs/dbraw/zinc/50/57/16/917505716.db2.gz SBRIRLTTZIMWMP-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@H]1CCN(C)C1=O ZINC001483405592 917556130 /nfs/dbraw/zinc/55/61/30/917556130.db2.gz ZAWPPPQTAAEKQN-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC001483405592 917556139 /nfs/dbraw/zinc/55/61/39/917556139.db2.gz ZAWPPPQTAAEKQN-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001483405592 917556148 /nfs/dbraw/zinc/55/61/48/917556148.db2.gz ZAWPPPQTAAEKQN-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001483421002 917556644 /nfs/dbraw/zinc/55/66/44/917556644.db2.gz ORXIWZWMZLVNLB-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001483422000 917557415 /nfs/dbraw/zinc/55/74/15/917557415.db2.gz SHTSHNGUQQISDP-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP COCC[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483458244 917566769 /nfs/dbraw/zinc/56/67/69/917566769.db2.gz ZZUHBMYKBAOEQZ-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP COCC[NH2+]CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483458244 917566780 /nfs/dbraw/zinc/56/67/80/917566780.db2.gz ZZUHBMYKBAOEQZ-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001483722474 917656027 /nfs/dbraw/zinc/65/60/27/917656027.db2.gz XVRXLHLBSHYGIJ-MNOVXSKESA-N 2 1 280.372 -0.793 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC3CC3)CC2)C1 ZINC001483724009 917662537 /nfs/dbraw/zinc/66/25/37/917662537.db2.gz HFSXHKBWRZMGOG-LBPRGKRZSA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC3CC3)CC2)C1 ZINC001483724009 917662550 /nfs/dbraw/zinc/66/25/50/917662550.db2.gz HFSXHKBWRZMGOG-LBPRGKRZSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001483790369 917680064 /nfs/dbraw/zinc/68/00/64/917680064.db2.gz GQKICHRFGAWVJF-GHMZBOCLSA-N 2 1 255.362 -0.443 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001484065782 917734370 /nfs/dbraw/zinc/73/43/70/917734370.db2.gz ZJQZFWQALNOSTN-SWLSCSKDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001484065782 917734390 /nfs/dbraw/zinc/73/43/90/917734390.db2.gz ZJQZFWQALNOSTN-SWLSCSKDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001484065782 917734407 /nfs/dbraw/zinc/73/44/07/917734407.db2.gz ZJQZFWQALNOSTN-SWLSCSKDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001484065782 917734421 /nfs/dbraw/zinc/73/44/21/917734421.db2.gz ZJQZFWQALNOSTN-SWLSCSKDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CC)C1)[NH+](C)C ZINC001484238882 917786910 /nfs/dbraw/zinc/78/69/10/917786910.db2.gz ZNSDAURTEIOIOF-WCQYABFASA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001484478479 917864337 /nfs/dbraw/zinc/86/43/37/917864337.db2.gz QOZBEACTTKSVNS-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N(CCO)CC[NH2+]CCO ZINC001484495977 917878493 /nfs/dbraw/zinc/87/84/93/917878493.db2.gz IRZXWQDVKVGOSC-KBPBESRZSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCO)C2)C1 ZINC001484549492 917887390 /nfs/dbraw/zinc/88/73/90/917887390.db2.gz JDEOTEMDWJWHRB-OLZOCXBDSA-N 2 1 269.389 -0.241 20 0 CBADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@@H+](C)CCO ZINC001485343594 918078020 /nfs/dbraw/zinc/07/80/20/918078020.db2.gz HMINFGZVTQOZMP-NSHDSACASA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[N@H+](C)CCO ZINC001485362475 918092716 /nfs/dbraw/zinc/09/27/16/918092716.db2.gz ACGVMJSJTBJARN-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[N@@H+](C)CCO ZINC001485362475 918092730 /nfs/dbraw/zinc/09/27/30/918092730.db2.gz ACGVMJSJTBJARN-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@H]1CCNC1=O ZINC001485371445 918100803 /nfs/dbraw/zinc/10/08/03/918100803.db2.gz WRETUROFYQNQTN-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC001485371445 918100812 /nfs/dbraw/zinc/10/08/12/918100812.db2.gz WRETUROFYQNQTN-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001485371445 918100816 /nfs/dbraw/zinc/10/08/16/918100816.db2.gz WRETUROFYQNQTN-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(=O)NC ZINC001485369553 918101848 /nfs/dbraw/zinc/10/18/48/918101848.db2.gz KAUDCMYCCXJZIC-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@H](C)C(=O)NC ZINC001485369553 918101813 /nfs/dbraw/zinc/10/18/13/918101813.db2.gz KAUDCMYCCXJZIC-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@H](C)C(=O)NC ZINC001485369553 918101829 /nfs/dbraw/zinc/10/18/29/918101829.db2.gz KAUDCMYCCXJZIC-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(=O)NC ZINC001485369553 918101839 /nfs/dbraw/zinc/10/18/39/918101839.db2.gz KAUDCMYCCXJZIC-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@H](C)C(N)=O ZINC001485368031 918102217 /nfs/dbraw/zinc/10/22/17/918102217.db2.gz AGZKCSKKWPZJLR-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@H](C)C(N)=O ZINC001485368031 918102225 /nfs/dbraw/zinc/10/22/25/918102225.db2.gz AGZKCSKKWPZJLR-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001485368031 918102235 /nfs/dbraw/zinc/10/22/35/918102235.db2.gz AGZKCSKKWPZJLR-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001485368031 918102247 /nfs/dbraw/zinc/10/22/47/918102247.db2.gz AGZKCSKKWPZJLR-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CCCC[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485471137 918125316 /nfs/dbraw/zinc/12/53/16/918125316.db2.gz CZGSUEWIELLTHY-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP CCCC[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485471141 918127287 /nfs/dbraw/zinc/12/72/87/918127287.db2.gz CZGSUEWIELLTHY-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001485745027 918183481 /nfs/dbraw/zinc/18/34/81/918183481.db2.gz PNBOQUBXOCZMES-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001485855548 918209131 /nfs/dbraw/zinc/20/91/31/918209131.db2.gz LVOBEORUKSHDPZ-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001485955290 918239095 /nfs/dbraw/zinc/23/90/95/918239095.db2.gz JGVHGINYTLXEQY-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001485960359 918241642 /nfs/dbraw/zinc/24/16/42/918241642.db2.gz FHQSBOURCFOVTJ-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP COCC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001486053287 918346152 /nfs/dbraw/zinc/34/61/52/918346152.db2.gz XUURCQGFTDLOKY-RYUDHWBXSA-N 2 1 273.377 -0.959 20 0 CBADMP Cc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C)o1 ZINC001486298861 918415251 /nfs/dbraw/zinc/41/52/51/918415251.db2.gz YVSJMEMIXJSOHZ-LBPRGKRZSA-N 2 1 298.387 -0.156 20 0 CBADMP CC[C@@H](C(=O)NCC1=CC[N@@H+]([C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC001486518725 918480159 /nfs/dbraw/zinc/48/01/59/918480159.db2.gz GMBAKECHBJOGFR-AAEUAGOBSA-N 2 1 296.415 -0.051 20 0 CBADMP CC[C@@H](C(=O)NCC1=CC[N@H+]([C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC001486518725 918480168 /nfs/dbraw/zinc/48/01/68/918480168.db2.gz GMBAKECHBJOGFR-AAEUAGOBSA-N 2 1 296.415 -0.051 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCCO)C(=O)CC[NH+](C)C ZINC001488654509 918752212 /nfs/dbraw/zinc/75/22/12/918752212.db2.gz NYIZWVAWFKDDEY-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CCOCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001488821408 918771519 /nfs/dbraw/zinc/77/15/19/918771519.db2.gz SBRKMZWVXWNGEH-MGPQQGTHSA-N 2 1 299.415 -0.162 20 0 CBADMP CCOCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001488821408 918771532 /nfs/dbraw/zinc/77/15/32/918771532.db2.gz SBRKMZWVXWNGEH-MGPQQGTHSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001488857946 918774185 /nfs/dbraw/zinc/77/41/85/918774185.db2.gz GKVNFDSWIVJUQP-FDYHWXHSSA-N 2 1 296.415 -0.314 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001488871753 918775352 /nfs/dbraw/zinc/77/53/52/918775352.db2.gz FDIIRQDUWSZPSR-AVGNSLFASA-N 2 1 298.431 -0.053 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001490164789 918855075 /nfs/dbraw/zinc/85/50/75/918855075.db2.gz NSNGCHDKYFWELX-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC001490164789 918855086 /nfs/dbraw/zinc/85/50/86/918855086.db2.gz NSNGCHDKYFWELX-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCNC1=O ZINC001490164789 918855100 /nfs/dbraw/zinc/85/51/00/918855100.db2.gz NSNGCHDKYFWELX-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+](CCO)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001490196310 918863638 /nfs/dbraw/zinc/86/36/38/918863638.db2.gz NMMJTUAZDNWTTC-ZDUSSCGKSA-N 2 1 269.389 -0.241 20 0 CBADMP Cn1nncc1C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490279211 918882198 /nfs/dbraw/zinc/88/21/98/918882198.db2.gz ASSJROFTZWPJFU-GFCCVEGCSA-N 2 1 294.403 -0.295 20 0 CBADMP Cn1nncc1C[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490279211 918882203 /nfs/dbraw/zinc/88/22/03/918882203.db2.gz ASSJROFTZWPJFU-GFCCVEGCSA-N 2 1 294.403 -0.295 20 0 CBADMP Cn1nncc1C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001490279211 918882206 /nfs/dbraw/zinc/88/22/06/918882206.db2.gz ASSJROFTZWPJFU-GFCCVEGCSA-N 2 1 294.403 -0.295 20 0 CBADMP Cn1nncc1C[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001490279211 918882210 /nfs/dbraw/zinc/88/22/10/918882210.db2.gz ASSJROFTZWPJFU-GFCCVEGCSA-N 2 1 294.403 -0.295 20 0 CBADMP CCCNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490280237 918885861 /nfs/dbraw/zinc/88/58/61/918885861.db2.gz VVUZNZYFTAXEAY-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001490280237 918885871 /nfs/dbraw/zinc/88/58/71/918885871.db2.gz VVUZNZYFTAXEAY-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001490280237 918885885 /nfs/dbraw/zinc/88/58/85/918885885.db2.gz VVUZNZYFTAXEAY-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001490270478 918886492 /nfs/dbraw/zinc/88/64/92/918886492.db2.gz PVTZNALHPAQCEJ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001490270478 918886500 /nfs/dbraw/zinc/88/65/00/918886500.db2.gz PVTZNALHPAQCEJ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001490270478 918886512 /nfs/dbraw/zinc/88/65/12/918886512.db2.gz PVTZNALHPAQCEJ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001490271765 918886738 /nfs/dbraw/zinc/88/67/38/918886738.db2.gz OGKVYXBVQLNHAO-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(N)=O ZINC001490329850 918892092 /nfs/dbraw/zinc/89/20/92/918892092.db2.gz YLZVNMGVGFIYMM-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(N)=O ZINC001490329850 918892113 /nfs/dbraw/zinc/89/21/13/918892113.db2.gz YLZVNMGVGFIYMM-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001490876184 918984587 /nfs/dbraw/zinc/98/45/87/918984587.db2.gz DKLIOBWOADPCSV-BJDJZHNGSA-N 2 1 282.388 -0.548 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001491029492 919012174 /nfs/dbraw/zinc/01/21/74/919012174.db2.gz CFITZYRGJAGQBV-XQQFMLRXSA-N 2 1 296.415 -0.156 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001491186341 919073900 /nfs/dbraw/zinc/07/39/00/919073900.db2.gz MUHIONRHKLWGMC-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001491223171 919082384 /nfs/dbraw/zinc/08/23/84/919082384.db2.gz DCQHLOHSMMKGMP-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001491223171 919082400 /nfs/dbraw/zinc/08/24/00/919082400.db2.gz DCQHLOHSMMKGMP-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001491295591 919109041 /nfs/dbraw/zinc/10/90/41/919109041.db2.gz CMCNUPAMXFOXRN-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001491320224 919112414 /nfs/dbraw/zinc/11/24/14/919112414.db2.gz WRZCYYDPKDNMHG-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001491318614 919114468 /nfs/dbraw/zinc/11/44/68/919114468.db2.gz UEVBSODVGHWLTB-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001491318614 919114473 /nfs/dbraw/zinc/11/44/73/919114473.db2.gz UEVBSODVGHWLTB-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001491318614 919114483 /nfs/dbraw/zinc/11/44/83/919114483.db2.gz UEVBSODVGHWLTB-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@@H](C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC001491335584 919116668 /nfs/dbraw/zinc/11/66/68/919116668.db2.gz NFNMJRZEKXMPNY-UPJWGTAASA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCNC(=O)C1CC1 ZINC001491415867 919148378 /nfs/dbraw/zinc/14/83/78/919148378.db2.gz UWNZWCNDDJURHM-WCQYABFASA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCO ZINC001491455453 919170113 /nfs/dbraw/zinc/17/01/13/919170113.db2.gz RFMWAFYJIMSUIB-RYUDHWBXSA-N 2 1 257.378 -0.054 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001491529404 919196830 /nfs/dbraw/zinc/19/68/30/919196830.db2.gz RASAPUWAPBSXFD-GXSJLCMTSA-N 2 1 279.344 -0.826 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001491671652 919247650 /nfs/dbraw/zinc/24/76/50/919247650.db2.gz BMZHEBQQDDTNPF-QWRGUYRKSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001491672790 919249941 /nfs/dbraw/zinc/24/99/41/919249941.db2.gz JCKDACJDAOHRQJ-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001491672253 919250333 /nfs/dbraw/zinc/25/03/33/919250333.db2.gz GBMWBZPRAPKVQT-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cncn1C ZINC001491674239 919250653 /nfs/dbraw/zinc/25/06/53/919250653.db2.gz SXJCKFGGEMWUNS-NEPJUHHUSA-N 2 1 279.388 -0.034 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCCNC1=O ZINC001491684562 919251833 /nfs/dbraw/zinc/25/18/33/919251833.db2.gz WOCUVFKYZPVXLV-NEPJUHHUSA-N 2 1 284.404 -0.301 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001491849112 919292068 /nfs/dbraw/zinc/29/20/68/919292068.db2.gz DKRSMINBQSECIW-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CN1CCO[C@@H](C(=O)NCC[N@H+](C)Cc2ccccn2)C1 ZINC001492220185 919361075 /nfs/dbraw/zinc/36/10/75/919361075.db2.gz FIYKZJYOMJKDKV-CQSZACIVSA-N 2 1 292.383 -0.040 20 0 CBADMP CN1CCO[C@@H](C(=O)NCC[N@@H+](C)Cc2ccccn2)C1 ZINC001492220185 919361089 /nfs/dbraw/zinc/36/10/89/919361089.db2.gz FIYKZJYOMJKDKV-CQSZACIVSA-N 2 1 292.383 -0.040 20 0 CBADMP C[N@@H+](CCCO)CCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001492309456 919387993 /nfs/dbraw/zinc/38/79/93/919387993.db2.gz TWUGAMLEHUUUID-GFCCVEGCSA-N 2 1 280.372 -0.124 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](CC)CC(N)=O)[NH+](C)C ZINC001493045597 919475397 /nfs/dbraw/zinc/47/53/97/919475397.db2.gz VXBNVOOBXOUGLA-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](CC)CC(N)=O)[NH+](C)C ZINC001493045597 919475408 /nfs/dbraw/zinc/47/54/08/919475408.db2.gz VXBNVOOBXOUGLA-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CC(=O)NCCC[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001493120465 919477593 /nfs/dbraw/zinc/47/75/93/919477593.db2.gz IQPLKPAEGWCSGJ-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001493133495 919483402 /nfs/dbraw/zinc/48/34/02/919483402.db2.gz RXNWOAKFIGAHET-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001493128449 919483509 /nfs/dbraw/zinc/48/35/09/919483509.db2.gz MSPRIEWCGZALLT-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001493128449 919483521 /nfs/dbraw/zinc/48/35/21/919483521.db2.gz MSPRIEWCGZALLT-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1CC(N)=O ZINC001493151167 919484104 /nfs/dbraw/zinc/48/41/04/919484104.db2.gz ZKBAGLNCQRQUTD-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001493151167 919484111 /nfs/dbraw/zinc/48/41/11/919484111.db2.gz ZKBAGLNCQRQUTD-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001493151167 919484125 /nfs/dbraw/zinc/48/41/25/919484125.db2.gz ZKBAGLNCQRQUTD-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001493151167 919484138 /nfs/dbraw/zinc/48/41/38/919484138.db2.gz ZKBAGLNCQRQUTD-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001493151167 919484148 /nfs/dbraw/zinc/48/41/48/919484148.db2.gz ZKBAGLNCQRQUTD-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001493133492 919484322 /nfs/dbraw/zinc/48/43/22/919484322.db2.gz RXNWOAKFIGAHET-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001493131402 919484750 /nfs/dbraw/zinc/48/47/50/919484750.db2.gz ZRZYKMLLQHMZOS-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001493131402 919484759 /nfs/dbraw/zinc/48/47/59/919484759.db2.gz ZRZYKMLLQHMZOS-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001493260772 919513235 /nfs/dbraw/zinc/51/32/35/919513235.db2.gz UHZWUDMNSGDWHY-GFCCVEGCSA-N 2 1 282.388 -0.734 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001493256315 919514372 /nfs/dbraw/zinc/51/43/72/919514372.db2.gz KEUAFVYWMMNABW-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001493256315 919514382 /nfs/dbraw/zinc/51/43/82/919514382.db2.gz KEUAFVYWMMNABW-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001493256315 919514397 /nfs/dbraw/zinc/51/43/97/919514397.db2.gz KEUAFVYWMMNABW-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001493258714 919515547 /nfs/dbraw/zinc/51/55/47/919515547.db2.gz GQDOSUKJRMGTQJ-STQMWFEESA-N 2 1 294.399 -0.591 20 0 CBADMP O=C(NCC[N@H+](CCO)C1CC1)C12CC[NH+](CC1)C2 ZINC001493435814 919547494 /nfs/dbraw/zinc/54/74/94/919547494.db2.gz MPHQJYPYGCLZBI-UHFFFAOYSA-N 2 1 267.373 -0.345 20 0 CBADMP CC[C@H]([NH2+]CCN(C)C(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001493578333 919585060 /nfs/dbraw/zinc/58/50/60/919585060.db2.gz IHNCASGZFPLXCZ-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)CC[NH2+]CC(N)=O)C2 ZINC001493695929 919607236 /nfs/dbraw/zinc/60/72/36/919607236.db2.gz NCPKKWJSIYHKDL-NSHDSACASA-N 2 1 293.371 -0.713 20 0 CBADMP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001493725843 919611134 /nfs/dbraw/zinc/61/11/34/919611134.db2.gz NSKCITFRCUMIJB-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001493762112 919615384 /nfs/dbraw/zinc/61/53/84/919615384.db2.gz QAUYOPVAFSRHIB-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CN(CCNCc1ccn(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001493793945 919619805 /nfs/dbraw/zinc/61/98/05/919619805.db2.gz PKSBDTBVRRCELA-LBPRGKRZSA-N 2 1 279.388 -0.080 20 0 CBADMP CN(CC[NH2+]Cc1ccn(C)n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001493793945 919619812 /nfs/dbraw/zinc/61/98/12/919619812.db2.gz PKSBDTBVRRCELA-LBPRGKRZSA-N 2 1 279.388 -0.080 20 0 CBADMP COCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001494122782 919659515 /nfs/dbraw/zinc/65/95/15/919659515.db2.gz RADQBHXAIWLRGU-KGLIPLIRSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001494122782 919659529 /nfs/dbraw/zinc/65/95/29/919659529.db2.gz RADQBHXAIWLRGU-KGLIPLIRSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001494122782 919659537 /nfs/dbraw/zinc/65/95/37/919659537.db2.gz RADQBHXAIWLRGU-KGLIPLIRSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001494122782 919659552 /nfs/dbraw/zinc/65/95/52/919659552.db2.gz RADQBHXAIWLRGU-KGLIPLIRSA-N 2 1 299.415 -0.256 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001494170575 919665516 /nfs/dbraw/zinc/66/55/16/919665516.db2.gz DHELAZUIGQZYGK-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001494170575 919665524 /nfs/dbraw/zinc/66/55/24/919665524.db2.gz DHELAZUIGQZYGK-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001494170575 919665534 /nfs/dbraw/zinc/66/55/34/919665534.db2.gz DHELAZUIGQZYGK-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP C[N@@H+](CCO)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494181999 919665956 /nfs/dbraw/zinc/66/59/56/919665956.db2.gz VMHRJFZUYWCSKH-OLZOCXBDSA-N 2 1 269.389 -0.289 20 0 CBADMP C[NH+](CCO)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001494181999 919665963 /nfs/dbraw/zinc/66/59/63/919665963.db2.gz VMHRJFZUYWCSKH-OLZOCXBDSA-N 2 1 269.389 -0.289 20 0 CBADMP C[NH+](CCO)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001494181999 919665973 /nfs/dbraw/zinc/66/59/73/919665973.db2.gz VMHRJFZUYWCSKH-OLZOCXBDSA-N 2 1 269.389 -0.289 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1C[NH+](C[C@@H](C)O)C1 ZINC001494626529 919754438 /nfs/dbraw/zinc/75/44/38/919754438.db2.gz XTAKTFPNPNANNH-SNVBAGLBSA-N 2 1 266.345 -0.380 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001494629348 919757053 /nfs/dbraw/zinc/75/70/53/919757053.db2.gz YVGBACWJUUOGML-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001494773338 919785841 /nfs/dbraw/zinc/78/58/41/919785841.db2.gz PUMNDZKOPGAEIM-UPJWGTAASA-N 2 1 298.431 -0.006 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001494773338 919785856 /nfs/dbraw/zinc/78/58/56/919785856.db2.gz PUMNDZKOPGAEIM-UPJWGTAASA-N 2 1 298.431 -0.006 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CCO ZINC001495037039 919850023 /nfs/dbraw/zinc/85/00/23/919850023.db2.gz KZAXCZMUBXAEOI-NEPJUHHUSA-N 2 1 257.378 -0.053 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2(C[NH2+]CCO)CCCC2)C1 ZINC001495211655 919875576 /nfs/dbraw/zinc/87/55/76/919875576.db2.gz XUVHQXHXUHOTLF-CYBMUJFWSA-N 2 1 299.415 -0.282 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC2(C[NH2+]CCO)CCCC2)C1 ZINC001495211655 919875585 /nfs/dbraw/zinc/87/55/85/919875585.db2.gz XUVHQXHXUHOTLF-CYBMUJFWSA-N 2 1 299.415 -0.282 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]CCCO ZINC001495636257 919915486 /nfs/dbraw/zinc/91/54/86/919915486.db2.gz XILJNORYRYONAC-NWDGAFQWSA-N 2 1 273.377 -0.959 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]CCCO ZINC001495636257 919915498 /nfs/dbraw/zinc/91/54/98/919915498.db2.gz XILJNORYRYONAC-NWDGAFQWSA-N 2 1 273.377 -0.959 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001495817515 919952412 /nfs/dbraw/zinc/95/24/12/919952412.db2.gz ZPOUTEYBKXESCT-GFCCVEGCSA-N 2 1 296.419 -0.003 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001495813583 919953631 /nfs/dbraw/zinc/95/36/31/919953631.db2.gz NLVZTAABGNWHCW-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001496208960 920042222 /nfs/dbraw/zinc/04/22/22/920042222.db2.gz ICGZCWXXYCLLOG-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001496208957 920044726 /nfs/dbraw/zinc/04/47/26/920044726.db2.gz ICGZCWXXYCLLOG-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496230430 920045682 /nfs/dbraw/zinc/04/56/82/920045682.db2.gz WLJQZFHJRKZSSH-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001496599590 920092838 /nfs/dbraw/zinc/09/28/38/920092838.db2.gz RTMMPKCKYKYXRL-RWMBFGLXSA-N 2 1 298.431 -0.068 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001496640536 920101825 /nfs/dbraw/zinc/10/18/25/920101825.db2.gz AQUANYCHZACONB-LBPRGKRZSA-N 2 1 295.387 -0.332 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001496816071 920132300 /nfs/dbraw/zinc/13/23/00/920132300.db2.gz BZSYNOGDNUAXIC-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001496816071 920132305 /nfs/dbraw/zinc/13/23/05/920132305.db2.gz BZSYNOGDNUAXIC-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496816071 920132310 /nfs/dbraw/zinc/13/23/10/920132310.db2.gz BZSYNOGDNUAXIC-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001496816071 920132318 /nfs/dbraw/zinc/13/23/18/920132318.db2.gz BZSYNOGDNUAXIC-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001497016062 920207592 /nfs/dbraw/zinc/20/75/92/920207592.db2.gz BPXSACJUBSCTPM-OLZOCXBDSA-N 2 1 296.371 -0.705 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CC[NH2+]CCO ZINC001497321909 920285230 /nfs/dbraw/zinc/28/52/30/920285230.db2.gz HZEQZLDMYFQLDG-JTQLQIEISA-N 2 1 254.334 -0.332 20 0 CBADMP C[C@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497324009 920286412 /nfs/dbraw/zinc/28/64/12/920286412.db2.gz RRAIALPHJLVFKN-MNOVXSKESA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497324009 920286417 /nfs/dbraw/zinc/28/64/17/920286417.db2.gz RRAIALPHJLVFKN-MNOVXSKESA-N 2 1 295.391 -0.854 20 0 CBADMP CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001497362765 920293294 /nfs/dbraw/zinc/29/32/94/920293294.db2.gz UEWPZWMBGNRGSW-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)[C@@H]1CCC[N@H+]1C ZINC001497363045 920295186 /nfs/dbraw/zinc/29/51/86/920295186.db2.gz YEGDGKMSKMLYIT-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497587009 920350375 /nfs/dbraw/zinc/35/03/75/920350375.db2.gz ZQVWYRUBUKHWRN-YVAWVJMJSA-N 2 1 269.389 -0.031 20 0 CBADMP C[C@@H](O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001497650079 920360052 /nfs/dbraw/zinc/36/00/52/920360052.db2.gz NNPWIWQCXZOUFU-OPVGQWETSA-N 2 1 255.362 -0.277 20 0 CBADMP CN1CC[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001497651285 920362167 /nfs/dbraw/zinc/36/21/67/920362167.db2.gz WAWPHQPNJLREKR-CDJBXZAQSA-N 2 1 294.399 -0.427 20 0 CBADMP CCOCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001497798211 920392056 /nfs/dbraw/zinc/39/20/56/920392056.db2.gz ASQCHTYBSJKKGF-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001497798211 920392066 /nfs/dbraw/zinc/39/20/66/920392066.db2.gz ASQCHTYBSJKKGF-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001497955056 920430298 /nfs/dbraw/zinc/43/02/98/920430298.db2.gz QNRYOVHTRZMCBO-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@H](C[NH2+]CCn1cncn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497983722 920435476 /nfs/dbraw/zinc/43/54/76/920435476.db2.gz KAENJGRGVYFAMV-NEPJUHHUSA-N 2 1 280.376 -0.676 20 0 CBADMP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001497990551 920435515 /nfs/dbraw/zinc/43/55/15/920435515.db2.gz HDDSJZPRVLHPFG-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001497990551 920435529 /nfs/dbraw/zinc/43/55/29/920435529.db2.gz HDDSJZPRVLHPFG-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001498021387 920445677 /nfs/dbraw/zinc/44/56/77/920445677.db2.gz HWHIHRVFXZJTRQ-JQWIXIFHSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001498021387 920445684 /nfs/dbraw/zinc/44/56/84/920445684.db2.gz HWHIHRVFXZJTRQ-JQWIXIFHSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001498021261 920446274 /nfs/dbraw/zinc/44/62/74/920446274.db2.gz GLAWYKRJNRKFRE-QWRGUYRKSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001498021261 920446282 /nfs/dbraw/zinc/44/62/82/920446282.db2.gz GLAWYKRJNRKFRE-QWRGUYRKSA-N 2 1 280.376 -0.496 20 0 CBADMP CC(C)OCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001498026430 920450478 /nfs/dbraw/zinc/45/04/78/920450478.db2.gz WVYZZUTZVJUMAJ-QWHCGFSZSA-N 2 1 287.404 -0.164 20 0 CBADMP CC(C)OCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001498026430 920450486 /nfs/dbraw/zinc/45/04/86/920450486.db2.gz WVYZZUTZVJUMAJ-QWHCGFSZSA-N 2 1 287.404 -0.164 20 0 CBADMP CC(C)OCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001498026434 920451100 /nfs/dbraw/zinc/45/11/00/920451100.db2.gz WVYZZUTZVJUMAJ-STQMWFEESA-N 2 1 287.404 -0.164 20 0 CBADMP CC(C)OCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001498026434 920451112 /nfs/dbraw/zinc/45/11/12/920451112.db2.gz WVYZZUTZVJUMAJ-STQMWFEESA-N 2 1 287.404 -0.164 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C[NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001498788124 920640563 /nfs/dbraw/zinc/64/05/63/920640563.db2.gz CEZZWJPMYLOSBS-JQWIXIFHSA-N 2 1 293.371 -0.450 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001499020407 920684009 /nfs/dbraw/zinc/68/40/09/920684009.db2.gz HJKMGJYMSZRUAX-LBPRGKRZSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001499020407 920684020 /nfs/dbraw/zinc/68/40/20/920684020.db2.gz HJKMGJYMSZRUAX-LBPRGKRZSA-N 2 1 266.345 -0.236 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CCOCCO)C1 ZINC001499066606 920694009 /nfs/dbraw/zinc/69/40/09/920694009.db2.gz LTKVKNIMWVWANS-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2CCOCCO)C1 ZINC001499066606 920694016 /nfs/dbraw/zinc/69/40/16/920694016.db2.gz LTKVKNIMWVWANS-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2CCOCCO)C1 ZINC001499066606 920694026 /nfs/dbraw/zinc/69/40/26/920694026.db2.gz LTKVKNIMWVWANS-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2CCOCCO)C1 ZINC001499066606 920694036 /nfs/dbraw/zinc/69/40/36/920694036.db2.gz LTKVKNIMWVWANS-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCC(OCC(=O)NC[C@@H]2CC[N@@H+]2CCO)CC1 ZINC001499089265 920698826 /nfs/dbraw/zinc/69/88/26/920698826.db2.gz HSUIRPNJERGXFJ-LBPRGKRZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCC(OCC(=O)NC[C@@H]2CC[N@H+]2CCO)CC1 ZINC001499089265 920698835 /nfs/dbraw/zinc/69/88/35/920698835.db2.gz HSUIRPNJERGXFJ-LBPRGKRZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001499230853 920723616 /nfs/dbraw/zinc/72/36/16/920723616.db2.gz KQMYXUFUJXQWLQ-IJLUTSLNSA-N 2 1 269.389 -0.054 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001499264094 920728471 /nfs/dbraw/zinc/72/84/71/920728471.db2.gz RTRGMKVFQRIFTA-NWDGAFQWSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@@H](C)OC)CC2)C1 ZINC001499456725 920747586 /nfs/dbraw/zinc/74/75/86/920747586.db2.gz WXRNIIVYPVMTLR-CHWSQXEVSA-N 2 1 299.415 -0.020 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@@H](C)OC)CC2)C1 ZINC001499456725 920747598 /nfs/dbraw/zinc/74/75/98/920747598.db2.gz WXRNIIVYPVMTLR-CHWSQXEVSA-N 2 1 299.415 -0.020 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@H](C)OC)CC2)C1 ZINC001499456731 920747628 /nfs/dbraw/zinc/74/76/28/920747628.db2.gz WXRNIIVYPVMTLR-STQMWFEESA-N 2 1 299.415 -0.020 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@H](C)OC)CC2)C1 ZINC001499456731 920747645 /nfs/dbraw/zinc/74/76/45/920747645.db2.gz WXRNIIVYPVMTLR-STQMWFEESA-N 2 1 299.415 -0.020 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]C[C@@H](C)O)CC1 ZINC001499427426 920748152 /nfs/dbraw/zinc/74/81/52/920748152.db2.gz ZWLUXZKXPGHDSJ-LLVKDONJSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@@H](O)C[NH+]1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001499764993 920771422 /nfs/dbraw/zinc/77/14/22/920771422.db2.gz IKXRIYHLXXYZDB-GFCCVEGCSA-N 2 1 299.415 -0.379 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001500259051 920821306 /nfs/dbraw/zinc/82/13/06/920821306.db2.gz ZMZGJQPUVJFCCJ-IUODEOHRSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CCCO)CCOCC2)C1 ZINC001500600633 920840783 /nfs/dbraw/zinc/84/07/83/920840783.db2.gz KTLXUERNBWWFQC-ZDUSSCGKSA-N 2 1 299.415 -0.425 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](CCCO)C1 ZINC001500746480 920872010 /nfs/dbraw/zinc/87/20/10/920872010.db2.gz HQWJALBBRCEZKZ-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001500746480 920872021 /nfs/dbraw/zinc/87/20/21/920872021.db2.gz HQWJALBBRCEZKZ-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001500746480 920872030 /nfs/dbraw/zinc/87/20/30/920872030.db2.gz HQWJALBBRCEZKZ-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)C12CC[NH+](CC1)C2 ZINC001500750314 920879480 /nfs/dbraw/zinc/87/94/80/920879480.db2.gz BFEHUNXJWGIGDA-OAHLLOKOSA-N 2 1 297.399 -0.982 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001501240762 920956815 /nfs/dbraw/zinc/95/68/15/920956815.db2.gz URFDHHAYNVNSSY-BETUJISGSA-N 2 1 296.415 -0.406 20 0 CBADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001501240762 920956829 /nfs/dbraw/zinc/95/68/29/920956829.db2.gz URFDHHAYNVNSSY-BETUJISGSA-N 2 1 296.415 -0.406 20 0 CBADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001501240762 920956844 /nfs/dbraw/zinc/95/68/44/920956844.db2.gz URFDHHAYNVNSSY-BETUJISGSA-N 2 1 296.415 -0.406 20 0 CBADMP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001501927894 921073450 /nfs/dbraw/zinc/07/34/50/921073450.db2.gz FWZZNZXTRBFZDF-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001507337347 921813150 /nfs/dbraw/zinc/81/31/50/921813150.db2.gz CTKYHPNYWANLCP-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001508028370 921904691 /nfs/dbraw/zinc/90/46/91/921904691.db2.gz BJYZNJBTYSWEBN-LLVKDONJSA-N 2 1 286.420 -0.066 20 0 CBADMP COCC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@@H](C)O ZINC001508055864 921910248 /nfs/dbraw/zinc/91/02/48/921910248.db2.gz NHTKEWYUAICRSE-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001514838209 922222041 /nfs/dbraw/zinc/22/20/41/922222041.db2.gz HWXSZYYCIYKNKY-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001515318447 922230982 /nfs/dbraw/zinc/23/09/82/922230982.db2.gz LSZNZNBAMPLOTM-SRVKXCTJSA-N 2 1 255.362 -0.219 20 0 CBADMP 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 922234793 /nfs/dbraw/zinc/23/47/93/922234793.db2.gz NPZBJCUVEFPVGT-BNDIWNMDSA-N 2 1 264.373 -0.949 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C)C[NH+](C)C ZINC001520191657 922301734 /nfs/dbraw/zinc/30/17/34/922301734.db2.gz NMRKBDJNNXAMRH-UPJWGTAASA-N 2 1 268.405 -0.311 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC12CC[NH+](CC1)C2 ZINC001520374334 922308944 /nfs/dbraw/zinc/30/89/44/922308944.db2.gz TULNLCYHXURNQA-RYUDHWBXSA-N 2 1 264.373 -0.661 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC[NH+](C)C ZINC001520729530 922317507 /nfs/dbraw/zinc/31/75/07/922317507.db2.gz SEEZPULOUWBGOU-NEPJUHHUSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC[NH+](C)C ZINC001520729532 922318178 /nfs/dbraw/zinc/31/81/78/922318178.db2.gz SEEZPULOUWBGOU-RYUDHWBXSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1CC[NH2+]CC1 ZINC001521144921 922332642 /nfs/dbraw/zinc/33/26/42/922332642.db2.gz HFRNCQBXYKSRCC-JQWIXIFHSA-N 2 1 252.362 -0.757 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001521158694 922336889 /nfs/dbraw/zinc/33/68/89/922336889.db2.gz QXEPHSOTSQBCSI-GFCCVEGCSA-N 2 1 257.378 -0.210 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001521433830 922352841 /nfs/dbraw/zinc/35/28/41/922352841.db2.gz PKOAGAYYTDPWSJ-UHFFFAOYSA-N 2 1 266.345 -0.202 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001521445271 922356150 /nfs/dbraw/zinc/35/61/50/922356150.db2.gz GLNMQYUOHQIIFR-CYDGBPFRSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H](O)C[NH2+]1 ZINC001521438169 922357500 /nfs/dbraw/zinc/35/75/00/922357500.db2.gz BPWDAJHVSUJABR-GFQSEFKGSA-N 2 1 267.373 -0.158 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001521464913 922357889 /nfs/dbraw/zinc/35/78/89/922357889.db2.gz XKMJAZLBBODCMR-CMPLNLGQSA-N 2 1 252.318 -0.579 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C1=CCC[NH2+]CC1 ZINC001521470627 922358005 /nfs/dbraw/zinc/35/80/05/922358005.db2.gz SKECTJKQSKDEJE-UHFFFAOYSA-N 2 1 255.362 -0.009 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001521495797 922361388 /nfs/dbraw/zinc/36/13/88/922361388.db2.gz LGEXKXQHKQMIPC-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H]1Cn2nc(C(=O)NC[C@H]([NH3+])C3CC3)cc2C[NH2+]1 ZINC001521508410 922362874 /nfs/dbraw/zinc/36/28/74/922362874.db2.gz UQSVVFHGMZODDN-KWQFWETISA-N 2 1 263.345 -0.158 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC001521533670 922365344 /nfs/dbraw/zinc/36/53/44/922365344.db2.gz LGKYMWBAQZFKLJ-YRGRVCCFSA-N 2 1 266.389 -0.428 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001521899198 922385958 /nfs/dbraw/zinc/38/59/58/922385958.db2.gz UBDKJJJIAREGDI-YNEHKIRRSA-N 2 1 266.389 -0.415 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001521899198 922385974 /nfs/dbraw/zinc/38/59/74/922385974.db2.gz UBDKJJJIAREGDI-YNEHKIRRSA-N 2 1 266.389 -0.415 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001521899198 922385979 /nfs/dbraw/zinc/38/59/79/922385979.db2.gz UBDKJJJIAREGDI-YNEHKIRRSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCCC[C@H]1C[NH3+] ZINC001522444906 922416563 /nfs/dbraw/zinc/41/65/63/922416563.db2.gz IFJCNKVFBHLYFH-FRRDWIJNSA-N 2 1 266.389 -0.286 20 0 CBADMP CC[NH+](CC)CC(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001522657770 922498908 /nfs/dbraw/zinc/49/89/08/922498908.db2.gz UFUOLQOAMXMDHK-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP C[NH+](C)CCCC(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001522763695 922515772 /nfs/dbraw/zinc/51/57/72/922515772.db2.gz NRGPTSJCEIBZFP-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC001523009864 922558778 /nfs/dbraw/zinc/55/87/78/922558778.db2.gz KKSKMNLVBGINND-AAEUAGOBSA-N 2 1 255.362 -0.360 20 0 CBADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@@H]1C[C@]12CC[NH2+]C2 ZINC001523475427 922594142 /nfs/dbraw/zinc/59/41/42/922594142.db2.gz UXGYMJRBBWBMNQ-GWCFXTLKSA-N 2 1 261.329 -0.076 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001524029227 922615316 /nfs/dbraw/zinc/61/53/16/922615316.db2.gz KDLKGHGLGJHMFG-WOPDTQHZSA-N 2 1 256.394 -0.280 20 0 CBADMP O=C([C@H]1CCC[NH2+]1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001524009959 922616197 /nfs/dbraw/zinc/61/61/97/922616197.db2.gz ZCILDLHYGDOCJL-UPJWGTAASA-N 2 1 267.373 -0.204 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H]1CC[NH+](C)C1 ZINC001527473548 922756537 /nfs/dbraw/zinc/75/65/37/922756537.db2.gz GLMLGSQHINFAME-UPJWGTAASA-N 2 1 266.389 -0.557 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC001527473548 922756548 /nfs/dbraw/zinc/75/65/48/922756548.db2.gz GLMLGSQHINFAME-UPJWGTAASA-N 2 1 266.389 -0.557 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC001527473548 922756559 /nfs/dbraw/zinc/75/65/59/922756559.db2.gz GLMLGSQHINFAME-UPJWGTAASA-N 2 1 266.389 -0.557 20 0 CBADMP C[N@H+]1C[C@@H]2[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC001529329915 922888716 /nfs/dbraw/zinc/88/87/16/922888716.db2.gz WOYXIBFZHRZRMM-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP C[N@@H+]1C[C@@H]2[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC001529329915 922888727 /nfs/dbraw/zinc/88/87/27/922888727.db2.gz WOYXIBFZHRZRMM-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP C[NH+]1C[C@@H]2[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC001529329915 922888739 /nfs/dbraw/zinc/88/87/39/922888739.db2.gz WOYXIBFZHRZRMM-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP C[NH+]1C[C@@H]2[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC001529329915 922888746 /nfs/dbraw/zinc/88/87/46/922888746.db2.gz WOYXIBFZHRZRMM-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001548549312 923374363 /nfs/dbraw/zinc/37/43/63/923374363.db2.gz VRXVIQBVUSAXRA-CQSZACIVSA-N 2 1 285.388 -0.718 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548549843 923376545 /nfs/dbraw/zinc/37/65/45/923376545.db2.gz MZSOXCSCKNDGHX-DYEKYZERSA-N 2 1 267.373 -0.035 20 0 CBADMP COc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001548568655 923390578 /nfs/dbraw/zinc/39/05/78/923390578.db2.gz IVMWLNMSBFCRFK-MFKMUULPSA-N 2 1 291.351 -0.058 20 0 CBADMP CC1CC[NH+](CC(=O)N2NC(=O)C[C@]23CC[NH2+]C3)CC1 ZINC001548578816 923403883 /nfs/dbraw/zinc/40/38/83/923403883.db2.gz MMKCQTXNONZPST-AWEZNQCLSA-N 2 1 280.372 -0.286 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001548628976 923416431 /nfs/dbraw/zinc/41/64/31/923416431.db2.gz YTWWCUNELNXOKP-DZGCQCFKSA-N 2 1 292.427 -0.071 20 0 CBADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CCSCC1 ZINC001548646082 923427452 /nfs/dbraw/zinc/42/74/52/923427452.db2.gz KVRAKYABFUVKCZ-CHWSQXEVSA-N 2 1 298.456 -0.460 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CCSCC1 ZINC001548646082 923427463 /nfs/dbraw/zinc/42/74/63/923427463.db2.gz KVRAKYABFUVKCZ-CHWSQXEVSA-N 2 1 298.456 -0.460 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1(C[NH+](C)C)CCC1 ZINC001548700207 923460220 /nfs/dbraw/zinc/46/02/20/923460220.db2.gz STDOAMMVBPBSSB-OLZOCXBDSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC001548695909 923460371 /nfs/dbraw/zinc/46/03/71/923460371.db2.gz VTQYILQGQIJLIP-MQYQWHSLSA-N 2 1 278.400 -0.605 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001548695909 923460376 /nfs/dbraw/zinc/46/03/76/923460376.db2.gz VTQYILQGQIJLIP-MQYQWHSLSA-N 2 1 278.400 -0.605 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001548695909 923460382 /nfs/dbraw/zinc/46/03/82/923460382.db2.gz VTQYILQGQIJLIP-MQYQWHSLSA-N 2 1 278.400 -0.605 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC001548707939 923465780 /nfs/dbraw/zinc/46/57/80/923465780.db2.gz FXRDHICNIMGBBZ-FMKPAKJESA-N 2 1 292.427 -0.071 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001548707939 923465794 /nfs/dbraw/zinc/46/57/94/923465794.db2.gz FXRDHICNIMGBBZ-FMKPAKJESA-N 2 1 292.427 -0.071 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001548707939 923465811 /nfs/dbraw/zinc/46/58/11/923465811.db2.gz FXRDHICNIMGBBZ-FMKPAKJESA-N 2 1 292.427 -0.071 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC001548731530 923481367 /nfs/dbraw/zinc/48/13/67/923481367.db2.gz GTEBDGCEIPEXRH-HZSPNIEDSA-N 2 1 278.400 -0.319 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@](O)(C[NH+](C)C)C2)C1 ZINC001548750069 923494628 /nfs/dbraw/zinc/49/46/28/923494628.db2.gz MJBNSMAQOHNSDD-GXTWGEPZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@](O)(C[NH+](C)C)C2)C1 ZINC001548750071 923495158 /nfs/dbraw/zinc/49/51/58/923495158.db2.gz MJBNSMAQOHNSDD-OCCSQVGLSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1C[N@H+](CCN2C[C@H]([NH3+])[C@@H](c3cnn(C)c3)C2)CCO1 ZINC001548960971 923519824 /nfs/dbraw/zinc/51/98/24/923519824.db2.gz UKKWOKDMADTKSC-YUELXQCFSA-N 2 1 293.415 -0.133 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2C[C@H]([NH3+])[C@@H](c3cnn(C)c3)C2)CCO1 ZINC001548960971 923519840 /nfs/dbraw/zinc/51/98/40/923519840.db2.gz UKKWOKDMADTKSC-YUELXQCFSA-N 2 1 293.415 -0.133 20 0 CBADMP C[NH+](C)CC(=O)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1 ZINC001548993438 923522676 /nfs/dbraw/zinc/52/26/76/923522676.db2.gz ASUZMDHXDCQAFW-IJLUTSLNSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+](C)CC(=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1 ZINC001548993438 923522694 /nfs/dbraw/zinc/52/26/94/923522694.db2.gz ASUZMDHXDCQAFW-IJLUTSLNSA-N 2 1 255.362 -0.348 20 0 CBADMP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC001549043469 923527395 /nfs/dbraw/zinc/52/73/95/923527395.db2.gz KBOOSDPFQJJBFL-KBPBESRZSA-N 3 1 280.416 -0.118 20 0 CBADMP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC001549043469 923527404 /nfs/dbraw/zinc/52/74/04/923527404.db2.gz KBOOSDPFQJJBFL-KBPBESRZSA-N 3 1 280.416 -0.118 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC001549046941 923543525 /nfs/dbraw/zinc/54/35/25/923543525.db2.gz DVUQSVYBIXHHMB-MRVPVSSYSA-N 2 1 297.384 -0.249 20 0 CBADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC001549046877 923544137 /nfs/dbraw/zinc/54/41/37/923544137.db2.gz YRTMPADEGYQMAS-JQWIXIFHSA-N 2 1 282.388 -0.574 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001549049187 923548119 /nfs/dbraw/zinc/54/81/19/923548119.db2.gz CQSYCMVNWGZPNT-SYEHKZFSSA-N 2 1 293.371 -0.950 20 0 CBADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC001549114839 923555636 /nfs/dbraw/zinc/55/56/36/923555636.db2.gz BYXMLPZBSQEZTE-UKRRQHHQSA-N 3 1 280.416 -0.131 20 0 CBADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](CCC(=O)N1CCNCC1)C2 ZINC001549114839 923555652 /nfs/dbraw/zinc/55/56/52/923555652.db2.gz BYXMLPZBSQEZTE-UKRRQHHQSA-N 2 1 280.416 -0.131 20 0 CBADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](CCC(=O)N1CCNCC1)C2 ZINC001549114839 923555666 /nfs/dbraw/zinc/55/56/66/923555666.db2.gz BYXMLPZBSQEZTE-UKRRQHHQSA-N 2 1 280.416 -0.131 20 0 CBADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC001549117096 923558189 /nfs/dbraw/zinc/55/81/89/923558189.db2.gz PZQILGWXMNKDEG-UONOGXRCSA-N 3 1 252.406 -0.048 20 0 CBADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@@H]3COCC[NH2+]3)C2)C1 ZINC001549124135 923560512 /nfs/dbraw/zinc/56/05/12/923560512.db2.gz NXWQIZVCYVEJRJ-MQYQWHSLSA-N 2 1 297.399 -0.280 20 0 CBADMP [NH3+]CCNC(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549214994 923569829 /nfs/dbraw/zinc/56/98/29/923569829.db2.gz TXMHZDUWTDYVJO-RYUDHWBXSA-N 2 1 282.388 -0.112 20 0 CBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1C[C@H](O)C[NH2+]1 ZINC001549295123 923585202 /nfs/dbraw/zinc/58/52/02/923585202.db2.gz FCAQHQUVJULAHZ-UMSGYPCISA-N 2 1 267.373 -0.158 20 0 CBADMP O=C(Nc1cn[nH]c1[C@@H]1CC[NH2+]C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001549731840 923632838 /nfs/dbraw/zinc/63/28/38/923632838.db2.gz QPQAKDKDLZKXMO-REIXXSIJSA-N 2 1 261.329 -0.110 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549741191 923639396 /nfs/dbraw/zinc/63/93/96/923639396.db2.gz YAOWJPJSUVXJRO-VXGBXAGGSA-N 2 1 288.355 -0.122 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1[C@@H](C[NH3+])C1(F)F ZINC001550059593 923659568 /nfs/dbraw/zinc/65/95/68/923659568.db2.gz DMCBFIAIKKDXMC-UTLUCORTSA-N 2 1 299.325 -0.267 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550006253 923660837 /nfs/dbraw/zinc/66/08/37/923660837.db2.gz ZOFAVLBYECJOQZ-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001550088172 923673010 /nfs/dbraw/zinc/67/30/10/923673010.db2.gz NTCKGPPUVVRDGI-WCQYABFASA-N 2 1 292.387 -0.230 20 0 CBADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC001550092292 923675099 /nfs/dbraw/zinc/67/50/99/923675099.db2.gz MVQLEEXDBITGLS-NSHDSACASA-N 2 1 282.388 -0.334 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550094589 923679375 /nfs/dbraw/zinc/67/93/75/923679375.db2.gz RZZKCIXXPLRJIL-GFCCVEGCSA-N 2 1 280.376 -0.150 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)c3cn(CC[NH3+])nn3)CC[C@@H]21 ZINC001550104395 923683309 /nfs/dbraw/zinc/68/33/09/923683309.db2.gz MQWVEHJGJPESJH-JQWIXIFHSA-N 2 1 278.360 -0.597 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC[C@@H]21 ZINC001550103524 923684580 /nfs/dbraw/zinc/68/45/80/923684580.db2.gz CNVBULBQRGMPRP-WYUUTHIRSA-N 2 1 253.346 -0.738 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)NC23CC(C[NH3+])(C2)C3)O1 ZINC001550117928 923689203 /nfs/dbraw/zinc/68/92/03/923689203.db2.gz LCUCGVHOSSGKHM-PGKBUCCNSA-N 2 1 253.346 -0.297 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)NC23CC(C[NH3+])(C2)C3)O1 ZINC001550117928 923689217 /nfs/dbraw/zinc/68/92/17/923689217.db2.gz LCUCGVHOSSGKHM-PGKBUCCNSA-N 2 1 253.346 -0.297 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC23CC(C[NH3+])(C2)C3)C1 ZINC001550118663 923689933 /nfs/dbraw/zinc/68/99/33/923689933.db2.gz GWNNIUOSUYPLMT-QFWMXSHPSA-N 2 1 253.346 -0.295 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC23CC(C[NH3+])(C2)C3)C1 ZINC001550118663 923689940 /nfs/dbraw/zinc/68/99/40/923689940.db2.gz GWNNIUOSUYPLMT-QFWMXSHPSA-N 2 1 253.346 -0.295 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC23CC(C[NH3+])(C2)C3)C1 ZINC001550118661 923691612 /nfs/dbraw/zinc/69/16/12/923691612.db2.gz GWNNIUOSUYPLMT-PKSQDBQZSA-N 2 1 253.346 -0.295 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC23CC(C[NH3+])(C2)C3)C1 ZINC001550118661 923691619 /nfs/dbraw/zinc/69/16/19/923691619.db2.gz GWNNIUOSUYPLMT-PKSQDBQZSA-N 2 1 253.346 -0.295 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H](C(=O)NC23CC(C[NH3+])(C2)C3)O1 ZINC001550117929 923692023 /nfs/dbraw/zinc/69/20/23/923692023.db2.gz LCUCGVHOSSGKHM-WPMGSTCASA-N 2 1 253.346 -0.297 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)NC23CC(C[NH3+])(C2)C3)O1 ZINC001550117929 923692038 /nfs/dbraw/zinc/69/20/38/923692038.db2.gz LCUCGVHOSSGKHM-WPMGSTCASA-N 2 1 253.346 -0.297 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)C2)CC1 ZINC001550116766 923692401 /nfs/dbraw/zinc/69/24/01/923692401.db2.gz RPJWOOXYEPNBHI-HZSPNIEDSA-N 2 1 280.416 -0.038 20 0 CBADMP OC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001550148382 923699054 /nfs/dbraw/zinc/69/90/54/923699054.db2.gz NAFRGZFKTKADJA-QXSJWSMHSA-N 2 1 295.427 -0.010 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001550186610 923706031 /nfs/dbraw/zinc/70/60/31/923706031.db2.gz VLUCQQNVZBINCK-FRRDWIJNSA-N 2 1 297.399 -0.280 20 0 CBADMP COCCN1C(=O)N[C@H]2C[N@H+](CC3CC([NH3+])C3)CC[C@H]21 ZINC001550704902 923739518 /nfs/dbraw/zinc/73/95/18/923739518.db2.gz PGWDGRUCOIYRMV-IFWUJCSASA-N 2 1 282.388 -0.162 20 0 CBADMP [NH3+][C@@]12CC[C@H]1CN(C(=O)NCc1cnn3c1C[NH2+]CC3)C2 ZINC001550758071 923746560 /nfs/dbraw/zinc/74/65/60/923746560.db2.gz SLNWESNXTSHMRI-SMDDNHRTSA-N 2 1 290.371 -0.381 20 0 CBADMP O=C1CC[C@H](NC[C@@H]2C[C@@H](F)C[NH2+]2)[C@H](C2CC[NH2+]CC2)N1 ZINC001550914523 923754366 /nfs/dbraw/zinc/75/43/66/923754366.db2.gz VLDADWNKLPDPQL-OSFYFWSMSA-N 2 1 298.406 -0.077 20 0 CBADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001550935058 923754571 /nfs/dbraw/zinc/75/45/71/923754571.db2.gz PBVJGFGIIXVVGZ-AGIUHOORSA-N 3 1 251.374 -0.094 20 0 CBADMP O=C(C[N@@H+]1CCO[C@H](C2CC2)CC1)N1CC[NH2+]CC1 ZINC001551396755 923772028 /nfs/dbraw/zinc/77/20/28/923772028.db2.gz QZOFKEPCYZJZMS-ZDUSSCGKSA-N 2 1 267.373 -0.081 20 0 CBADMP O=C(C[N@H+]1CCO[C@H](C2CC2)CC1)N1CC[NH2+]CC1 ZINC001551396755 923772041 /nfs/dbraw/zinc/77/20/41/923772041.db2.gz QZOFKEPCYZJZMS-ZDUSSCGKSA-N 2 1 267.373 -0.081 20 0 CBADMP CNC(=O)[C@]12C[N@@H+](CC(C)(C)[NH3+])C[C@@H]1COCC2 ZINC001551408411 923777241 /nfs/dbraw/zinc/77/72/41/923777241.db2.gz KKBWGHYPCFPFBH-ZWNOBZJWSA-N 2 1 255.362 -0.192 20 0 CBADMP CNC(=O)[C@@]12C[N@@H+](CC(C)(C)[NH3+])C[C@@H]1COCC2 ZINC001551408410 923777917 /nfs/dbraw/zinc/77/79/17/923777917.db2.gz KKBWGHYPCFPFBH-MFKMUULPSA-N 2 1 255.362 -0.192 20 0 CBADMP CNC(=O)[C@@]12C[N@H+]([C@H]3CC[NH2+]C3)C[C@@H]1COCC2 ZINC001551414058 923779108 /nfs/dbraw/zinc/77/91/08/923779108.db2.gz XLMBYBDCBVQKKN-MDZLAQPJSA-N 2 1 253.346 -0.567 20 0 CBADMP CNC(=O)[C@@]12C[N@@H+](C[C@@H]3C[NH2+]C[C@@H]3C)C[C@H]1COCC2 ZINC001551411268 923779941 /nfs/dbraw/zinc/77/99/41/923779941.db2.gz SDMHVJBUTVFFOJ-ABHRYQDASA-N 2 1 281.400 -0.074 20 0 CBADMP 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 923795906 /nfs/dbraw/zinc/79/59/06/923795906.db2.gz DMTDLZTXHJDSCF-MCZMQQNQSA-N 2 1 279.384 -0.084 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)[C@@H](C)C1 ZINC001551581718 923805294 /nfs/dbraw/zinc/80/52/94/923805294.db2.gz OVBSZFSFXFGJDO-TZUXDYLNSA-N 2 1 296.415 -0.037 20 0 CBADMP C[C@H](NC(=O)NC1CC2(C[C@H]2[NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC001551577364 923806260 /nfs/dbraw/zinc/80/62/60/923806260.db2.gz AUTOSODZYHKWFC-CKXPHIRYSA-N 2 1 282.388 -0.116 20 0 CBADMP C[C@H](NC(=O)NC1CC2(C[C@H]2[NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001551577364 923806272 /nfs/dbraw/zinc/80/62/72/923806272.db2.gz AUTOSODZYHKWFC-CKXPHIRYSA-N 2 1 282.388 -0.116 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)C[C@@H]1C ZINC001551590974 923807164 /nfs/dbraw/zinc/80/71/64/923807164.db2.gz OCNIXVGSARQDPO-NHTUMMBNSA-N 2 1 296.415 -0.037 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552198704 923852298 /nfs/dbraw/zinc/85/22/98/923852298.db2.gz YEUTXTKKTLCCIO-OUCADQQQSA-N 2 1 267.373 -0.177 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552199762 923855592 /nfs/dbraw/zinc/85/55/92/923855592.db2.gz DASQMPGYHLQMAI-REJLFOLJSA-N 2 1 279.384 -0.179 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552199736 923855771 /nfs/dbraw/zinc/85/57/71/923855771.db2.gz HVHSCWDJLLEJJZ-BZPMIXESSA-N 2 1 267.373 -0.320 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552199752 923855944 /nfs/dbraw/zinc/85/59/44/923855944.db2.gz IJZJZSFNFBWFBL-BHPKHCPMSA-N 2 1 279.384 -0.035 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201392 923858989 /nfs/dbraw/zinc/85/89/89/923858989.db2.gz MSAHZMSNMZDNEP-YPMHNXCESA-N 2 1 264.329 -0.456 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)n1C ZINC001552200934 923859137 /nfs/dbraw/zinc/85/91/37/923859137.db2.gz IEADBDHZAVRKOR-IINYFYTJSA-N 2 1 293.371 -0.662 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201995 923859422 /nfs/dbraw/zinc/85/94/22/923859422.db2.gz YZBMLYSFEJYXCR-KYEXWDHISA-N 2 1 295.383 -0.798 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201994 923860007 /nfs/dbraw/zinc/86/00/07/923860007.db2.gz YZBMLYSFEJYXCR-BHPKHCPMSA-N 2 1 295.383 -0.798 20 0 CBADMP O=C(N1CC[N@@H+]2CCCC[C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201336 923860509 /nfs/dbraw/zinc/86/05/09/923860509.db2.gz LIJSHZFWFIYWGR-UMVBOHGHSA-N 2 1 279.384 -0.081 20 0 CBADMP O=C(N1CC[N@H+]2CCCC[C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201336 923860524 /nfs/dbraw/zinc/86/05/24/923860524.db2.gz LIJSHZFWFIYWGR-UMVBOHGHSA-N 2 1 279.384 -0.081 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552200738 923860591 /nfs/dbraw/zinc/86/05/91/923860591.db2.gz VWDBVSWILWJWDD-GMXVVIOVSA-N 2 1 253.346 -0.567 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001552434330 923904137 /nfs/dbraw/zinc/90/41/37/923904137.db2.gz LICXVKRCOSPAPU-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552440039 923910997 /nfs/dbraw/zinc/91/09/97/923910997.db2.gz IUWUXQXLDGQXRS-RYUDHWBXSA-N 2 1 292.387 -0.103 20 0 CBADMP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1)[NH+](C)C ZINC001552770739 923916900 /nfs/dbraw/zinc/91/69/00/923916900.db2.gz CZBQXFKLQXXYOL-KGLIPLIRSA-N 2 1 297.447 -0.032 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC001552973597 923931871 /nfs/dbraw/zinc/93/18/71/923931871.db2.gz RDKPTSIENXTOQC-GTGGMXTKSA-N 3 1 278.400 -0.239 20 0 CBADMP CS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001553014911 923935536 /nfs/dbraw/zinc/93/55/36/923935536.db2.gz ZICZTNNOWIJQRK-RYUDHWBXSA-N 2 1 288.413 -0.126 20 0 CBADMP CS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001553014911 923935543 /nfs/dbraw/zinc/93/55/43/923935543.db2.gz ZICZTNNOWIJQRK-RYUDHWBXSA-N 2 1 288.413 -0.126 20 0 CBADMP C[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC(C(N)=O)C1 ZINC001553304218 923946845 /nfs/dbraw/zinc/94/68/45/923946845.db2.gz BNEGRQIUZZEHMC-YZVRNYIASA-N 2 1 267.373 -0.049 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)NC3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553345462 923948927 /nfs/dbraw/zinc/94/89/27/923948927.db2.gz WBCCSFLMWLPPEO-BXUZGUMPSA-N 3 1 266.389 -0.604 20 0 CBADMP CN1CC[C@@]2(C(=O)NC3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553345462 923948938 /nfs/dbraw/zinc/94/89/38/923948938.db2.gz WBCCSFLMWLPPEO-BXUZGUMPSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC[C@@H]([NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553342452 923949041 /nfs/dbraw/zinc/94/90/41/923949041.db2.gz GHYRWXPECOZIAK-SCRDCRAPSA-N 3 1 266.389 -0.523 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CCC[C@@H]([NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553342452 923949050 /nfs/dbraw/zinc/94/90/50/923949050.db2.gz GHYRWXPECOZIAK-SCRDCRAPSA-N 3 1 266.389 -0.523 20 0 CBADMP C[NH2+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)CC1 ZINC001553355657 923955750 /nfs/dbraw/zinc/95/57/50/923955750.db2.gz AKKJUYYCYUASSI-GDBMZVCRSA-N 3 1 294.443 -0.014 20 0 CBADMP C[NH2+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)CC1 ZINC001553355657 923955760 /nfs/dbraw/zinc/95/57/60/923955760.db2.gz AKKJUYYCYUASSI-GDBMZVCRSA-N 3 1 294.443 -0.014 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@H]3CCC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553353672 923955846 /nfs/dbraw/zinc/95/58/46/923955846.db2.gz XTTGRRWSAUFMID-DYEKYZERSA-N 3 1 266.389 -0.604 20 0 CBADMP CN1CC[C@]2(C(=O)N[C@H]3CCC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553353672 923955854 /nfs/dbraw/zinc/95/58/54/923955854.db2.gz XTTGRRWSAUFMID-DYEKYZERSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553353677 923957454 /nfs/dbraw/zinc/95/74/54/923957454.db2.gz XTTGRRWSAUFMID-SCRDCRAPSA-N 3 1 266.389 -0.604 20 0 CBADMP CN1CC[C@]2(C(=O)N[C@@H]3CCC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553353677 923957466 /nfs/dbraw/zinc/95/74/66/923957466.db2.gz XTTGRRWSAUFMID-SCRDCRAPSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NCC[C@@H]3CC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553352169 923957572 /nfs/dbraw/zinc/95/75/72/923957572.db2.gz GZAKOWSZSLAUJO-YDHLFZDLSA-N 3 1 280.416 -0.357 20 0 CBADMP CN1CC[C@]2(C(=O)NCC[C@@H]3CC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553352169 923957583 /nfs/dbraw/zinc/95/75/83/923957583.db2.gz GZAKOWSZSLAUJO-YDHLFZDLSA-N 2 1 280.416 -0.357 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@H](C[NH3+])C3CC3)C[NH2+]C[C@H]2C1 ZINC001553355604 923958158 /nfs/dbraw/zinc/95/81/58/923958158.db2.gz BOFABLYHDGOHCC-SCRDCRAPSA-N 3 1 266.389 -0.619 20 0 CBADMP CN1CC[C@]2(C(=O)N[C@H](C[NH3+])C3CC3)C[NH2+]C[C@H]2C1 ZINC001553355604 923958164 /nfs/dbraw/zinc/95/81/64/923958164.db2.gz BOFABLYHDGOHCC-SCRDCRAPSA-N 2 1 266.389 -0.619 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])C[NH2+]C[C@H]2C1 ZINC001553357755 923960252 /nfs/dbraw/zinc/96/02/52/923960252.db2.gz MPENAWWBHHGSBC-XPCVCDNBSA-N 3 1 280.416 -0.229 20 0 CBADMP CN1CC[C@]2(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])C[NH2+]C[C@H]2C1 ZINC001553357755 923960258 /nfs/dbraw/zinc/96/02/58/923960258.db2.gz MPENAWWBHHGSBC-XPCVCDNBSA-N 2 1 280.416 -0.229 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])C[NH2+]C[C@@H]2C1 ZINC001553357749 923962445 /nfs/dbraw/zinc/96/24/45/923962445.db2.gz MPENAWWBHHGSBC-BHPKHCPMSA-N 3 1 280.416 -0.229 20 0 CBADMP CN1CC[C@]2(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])C[NH2+]C[C@@H]2C1 ZINC001553357749 923962459 /nfs/dbraw/zinc/96/24/59/923962459.db2.gz MPENAWWBHHGSBC-BHPKHCPMSA-N 2 1 280.416 -0.229 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc3n(n2)C[C@@H](C)[NH2+]C3)CCO1 ZINC001553357691 923962658 /nfs/dbraw/zinc/96/26/58/923962658.db2.gz GUNIRTHSKBVXIB-BREBYQMCSA-N 2 1 293.371 -0.437 20 0 CBADMP CCCNC(=O)CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553372478 923966012 /nfs/dbraw/zinc/96/60/12/923966012.db2.gz ADOCPAWRNQXGRK-RISCZKNCSA-N 2 1 282.388 -0.830 20 0 CBADMP Cn1ccc(NC(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)n1 ZINC001553377377 923968670 /nfs/dbraw/zinc/96/86/70/923968670.db2.gz GDMIMHDJLYWFOO-GWCFXTLKSA-N 2 1 263.345 -0.100 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@@H]3CCCCNC3=O)C[NH2+]C[C@@H]2C1 ZINC001553385185 923969913 /nfs/dbraw/zinc/96/99/13/923969913.db2.gz JZJKTJJWXYNCBB-JMSVASOKSA-N 2 1 294.399 -0.687 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[C@H](O)C3)C[NH2+]C[C@H]2C1 ZINC001553403060 923974703 /nfs/dbraw/zinc/97/47/03/923974703.db2.gz YOXZYMMDCOPWTD-XFMPKHEZSA-N 2 1 281.400 -0.053 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@@H]1C ZINC001553404486 923977097 /nfs/dbraw/zinc/97/70/97/923977097.db2.gz AIUPMPYYENGINB-PEDHHIEDSA-N 2 1 297.399 -0.581 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@@H]1C ZINC001553404486 923977103 /nfs/dbraw/zinc/97/71/03/923977103.db2.gz AIUPMPYYENGINB-PEDHHIEDSA-N 2 1 297.399 -0.581 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553407837 923980241 /nfs/dbraw/zinc/98/02/41/923980241.db2.gz HYRBDSISYHVODS-NDBYEHHHSA-N 2 1 267.373 -0.036 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553407925 923980271 /nfs/dbraw/zinc/98/02/71/923980271.db2.gz IFOBDGXBTIJTSN-BJDJZHNGSA-N 2 1 253.346 -0.284 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553412503 923987765 /nfs/dbraw/zinc/98/77/65/923987765.db2.gz USBZTRRHLMRGME-MROQNXINSA-N 2 1 267.373 -0.036 20 0 CBADMP [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@H]1C[N@H+]3CCC[C@@H]3CO1)C2 ZINC001553447675 924001966 /nfs/dbraw/zinc/00/19/66/924001966.db2.gz VRDQQFLBLQTPCH-CXTNEJHOSA-N 2 1 294.399 -0.018 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001553446852 924002121 /nfs/dbraw/zinc/00/21/21/924002121.db2.gz DWENTGSMKVTKJY-SCRDCRAPSA-N 2 1 281.404 -0.635 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2CC[C@]2([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC001553462443 924005018 /nfs/dbraw/zinc/00/50/18/924005018.db2.gz HELYDBWWJWGOAV-MNXVOIDGSA-N 2 1 282.388 -0.162 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2CC[C@]2([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001553462443 924005032 /nfs/dbraw/zinc/00/50/32/924005032.db2.gz HELYDBWWJWGOAV-MNXVOIDGSA-N 2 1 282.388 -0.162 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553499386 924012591 /nfs/dbraw/zinc/01/25/91/924012591.db2.gz BCHDGNFCFQNKSG-AVGNSLFASA-N 2 1 284.404 -0.036 20 0 CBADMP CC(C)([NH3+])CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001553499093 924013051 /nfs/dbraw/zinc/01/30/51/924013051.db2.gz YFRJQWFFHRSLLW-NWDGAFQWSA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@H](C[NH3+])NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001553497927 924014141 /nfs/dbraw/zinc/01/41/41/924014141.db2.gz RAMUJKXGEDHQQN-IJLUTSLNSA-N 2 1 270.377 -0.426 20 0 CBADMP [NH3+][C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)C1CC1 ZINC001553497442 924014705 /nfs/dbraw/zinc/01/47/05/924014705.db2.gz PUUQNUWJTDJNMK-MGPQQGTHSA-N 2 1 296.415 -0.036 20 0 CBADMP [NH3+]C1CC(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001553513000 924019506 /nfs/dbraw/zinc/01/95/06/924019506.db2.gz KTQXBTRUCFIQBM-CLRIEMFWSA-N 2 1 296.415 -0.036 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553517616 924022148 /nfs/dbraw/zinc/02/21/48/924022148.db2.gz MMNXDVNNEQHWGZ-FQUUOJAGSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553527098 924024698 /nfs/dbraw/zinc/02/46/98/924024698.db2.gz JJXZOFVSMIBBPY-RFGFWPKPSA-N 2 1 296.415 -0.165 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001553632017 924032487 /nfs/dbraw/zinc/03/24/87/924032487.db2.gz BGJZVMYPDKTQEQ-CQSZACIVSA-N 2 1 280.416 -0.310 20 0 CBADMP C[C@H]1CN(C(=O)C[NH2+]C(C)(C)C)CC[N@@H+]1CCO ZINC001556296623 924055108 /nfs/dbraw/zinc/05/51/08/924055108.db2.gz FIZQSEUGPFKWAP-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H]1CN(C(=O)C[NH2+]C(C)(C)C)CC[N@H+]1CCO ZINC001556296623 924055131 /nfs/dbraw/zinc/05/51/31/924055131.db2.gz FIZQSEUGPFKWAP-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001557000654 924099672 /nfs/dbraw/zinc/09/96/72/924099672.db2.gz BKEVNRCAAJTXCE-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001557000654 924099685 /nfs/dbraw/zinc/09/96/85/924099685.db2.gz BKEVNRCAAJTXCE-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001557000654 924099698 /nfs/dbraw/zinc/09/96/98/924099698.db2.gz BKEVNRCAAJTXCE-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001557000654 924099707 /nfs/dbraw/zinc/09/97/07/924099707.db2.gz BKEVNRCAAJTXCE-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H](CC[NH+](C)C)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001558611796 924187525 /nfs/dbraw/zinc/18/75/25/924187525.db2.gz UKVCRJPYTNGOND-SNVBAGLBSA-N 2 1 255.362 -0.227 20 0 CBADMP [NH3+]CCCn1cc(C(=O)N2CC[NH+](C3CCC3)CC2)nn1 ZINC000573320783 334927290 /nfs/dbraw/zinc/92/72/90/334927290.db2.gz KLEHANJXBUXFBX-UHFFFAOYSA-N 2 1 292.387 -0.063 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000337413043 214066112 /nfs/dbraw/zinc/06/61/12/214066112.db2.gz ODIBBGVFLHVPFS-AAEUAGOBSA-N 2 1 272.393 -0.308 20 0 CBADMP CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000350700633 219049877 /nfs/dbraw/zinc/04/98/77/219049877.db2.gz KQZXJAPSVUHBGK-CYBMUJFWSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000350700633 219049880 /nfs/dbraw/zinc/04/98/80/219049880.db2.gz KQZXJAPSVUHBGK-CYBMUJFWSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000337724691 214235949 /nfs/dbraw/zinc/23/59/49/214235949.db2.gz LIVCPOWSGORUCJ-ZDUSSCGKSA-N 2 1 272.393 -0.308 20 0 CBADMP C[N@H+]1CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000125300791 187178079 /nfs/dbraw/zinc/17/80/79/187178079.db2.gz YYSYNANOIXUOCM-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]21 ZINC000125413580 187183812 /nfs/dbraw/zinc/18/38/12/187183812.db2.gz KGDFGEQGPIRMFC-GARJFASQSA-N 2 1 266.345 -0.403 20 0 CBADMP O=C(C[N@H+]1CC[C@@H](O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000337974284 214339335 /nfs/dbraw/zinc/33/93/35/214339335.db2.gz BKHVUPYNXPSJCW-CYBMUJFWSA-N 2 1 267.373 -0.204 20 0 CBADMP O=C(C[N@@H+]1CC[C@@H](O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000337974284 214339338 /nfs/dbraw/zinc/33/93/38/214339338.db2.gz BKHVUPYNXPSJCW-CYBMUJFWSA-N 2 1 267.373 -0.204 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000126162547 187222186 /nfs/dbraw/zinc/22/21/86/187222186.db2.gz CLUWKYULPZLMJA-PWSUYJOCSA-N 2 1 270.377 -0.846 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351472536 219098532 /nfs/dbraw/zinc/09/85/32/219098532.db2.gz AZYYYOCPVWFPGH-TUAOUCFPSA-N 2 1 275.418 -0.063 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000351516534 219113335 /nfs/dbraw/zinc/11/33/35/219113335.db2.gz GHDQHTHIOBVDHA-NEPJUHHUSA-N 2 1 280.372 -0.839 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351560322 219126558 /nfs/dbraw/zinc/12/65/58/219126558.db2.gz RKERPFSGBFQHNF-RYUDHWBXSA-N 2 1 282.388 -0.687 20 0 CBADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000351555653 219125385 /nfs/dbraw/zinc/12/53/85/219125385.db2.gz MBGGGYRABHYJDQ-GFCCVEGCSA-N 2 1 280.372 -0.839 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000351556823 219125633 /nfs/dbraw/zinc/12/56/33/219125633.db2.gz HNAWCGKZSBPABA-GRYCIOLGSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000351560098 219126746 /nfs/dbraw/zinc/12/67/46/219126746.db2.gz WBWGTAAUUJRXPC-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000351829763 219219890 /nfs/dbraw/zinc/21/98/90/219219890.db2.gz OULSRTXEGGZPAA-TUAOUCFPSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000351829763 219219893 /nfs/dbraw/zinc/21/98/93/219219893.db2.gz OULSRTXEGGZPAA-TUAOUCFPSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000351850575 219225176 /nfs/dbraw/zinc/22/51/76/219225176.db2.gz JCVXODYTWZOPCI-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000351850575 219225177 /nfs/dbraw/zinc/22/51/77/219225177.db2.gz JCVXODYTWZOPCI-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351860640 219228659 /nfs/dbraw/zinc/22/86/59/219228659.db2.gz GZMUAJBOJZPJMV-VXGBXAGGSA-N 2 1 293.433 -0.389 20 0 CBADMP COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351860640 219228661 /nfs/dbraw/zinc/22/86/61/219228661.db2.gz GZMUAJBOJZPJMV-VXGBXAGGSA-N 2 1 293.433 -0.389 20 0 CBADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)CO ZINC000339627651 215276302 /nfs/dbraw/zinc/27/63/02/215276302.db2.gz NDTVWJCWAFGIDI-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)CO ZINC000339627651 215276306 /nfs/dbraw/zinc/27/63/06/215276306.db2.gz NDTVWJCWAFGIDI-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000339667310 215287919 /nfs/dbraw/zinc/28/79/19/215287919.db2.gz ILNKSYPRLCUDLR-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)CC[N@@H+]1C ZINC000090720893 180031380 /nfs/dbraw/zinc/03/13/80/180031380.db2.gz CMYGRDZUZCWEMF-PWSUYJOCSA-N 2 1 280.372 -0.344 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)CC[N@H+]1C ZINC000090720893 180031382 /nfs/dbraw/zinc/03/13/82/180031382.db2.gz CMYGRDZUZCWEMF-PWSUYJOCSA-N 2 1 280.372 -0.344 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091299138 180125912 /nfs/dbraw/zinc/12/59/12/180125912.db2.gz UFGKYXCJHXBKBX-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000352095853 219318270 /nfs/dbraw/zinc/31/82/70/219318270.db2.gz BQYQGGGAOCEKIN-CYBMUJFWSA-N 2 1 286.420 -0.066 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000352096417 219319118 /nfs/dbraw/zinc/31/91/18/219319118.db2.gz FTSPSYOZGCTDNF-CYBMUJFWSA-N 2 1 295.387 -0.203 20 0 CBADMP C[N@@H+](CCCNC(=O)CNC(=O)C[NH3+])Cc1ccccc1 ZINC000037622998 351400105 /nfs/dbraw/zinc/40/01/05/351400105.db2.gz HKQCVMNPKGFAHZ-UHFFFAOYSA-N 2 1 292.383 -0.300 20 0 CBADMP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000043499911 351441364 /nfs/dbraw/zinc/44/13/64/351441364.db2.gz KSRRKJMPEUUEGB-NWDGAFQWSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000518186061 260352244 /nfs/dbraw/zinc/35/22/44/260352244.db2.gz YGWHMQUJPWGRIR-MNOVXSKESA-N 2 1 284.404 -0.219 20 0 CBADMP CCN(CC)C(=O)C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298836 351526639 /nfs/dbraw/zinc/52/66/39/351526639.db2.gz ZBTYABLDZSKUBX-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000055084568 351541127 /nfs/dbraw/zinc/54/11/27/351541127.db2.gz UUYJLEUHWVLIGM-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CCOC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179648 351580411 /nfs/dbraw/zinc/58/04/11/351580411.db2.gz IJBGKZVGXLRYTI-JTQLQIEISA-N 2 1 257.334 -0.664 20 0 CBADMP CCOC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179648 351580414 /nfs/dbraw/zinc/58/04/14/351580414.db2.gz IJBGKZVGXLRYTI-JTQLQIEISA-N 2 1 257.334 -0.664 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000063179607 351580725 /nfs/dbraw/zinc/58/07/25/351580725.db2.gz WCGRJMWFPSWPDN-CYBMUJFWSA-N 2 1 296.415 -0.214 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180331 351580751 /nfs/dbraw/zinc/58/07/51/351580751.db2.gz FFUNUVBLCCJMAZ-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000070174644 351635352 /nfs/dbraw/zinc/63/53/52/351635352.db2.gz AIFNRFYWCUKROI-MNOVXSKESA-N 2 1 280.372 -0.357 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000070174644 351635357 /nfs/dbraw/zinc/63/53/57/351635357.db2.gz AIFNRFYWCUKROI-MNOVXSKESA-N 2 1 280.372 -0.357 20 0 CBADMP C[NH+](C)CCN1C[C@@H](C(=O)NCC[N@@H+](C)C2CC2)CC1=O ZINC000074229119 351658933 /nfs/dbraw/zinc/65/89/33/351658933.db2.gz SKEXOEWGGSDTLG-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000068807837 351622643 /nfs/dbraw/zinc/62/26/43/351622643.db2.gz YYEKGFDHKNOFEC-NWDGAFQWSA-N 2 1 256.394 -0.278 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079519542 351693001 /nfs/dbraw/zinc/69/30/01/351693001.db2.gz TVTQCFNPZCPJNX-AWEZNQCLSA-N 2 1 268.405 -0.118 20 0 CBADMP COCC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081255939 351704357 /nfs/dbraw/zinc/70/43/57/351704357.db2.gz ILJAHKSFMSDCEB-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081255939 351704361 /nfs/dbraw/zinc/70/43/61/351704361.db2.gz ILJAHKSFMSDCEB-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081255939 351704363 /nfs/dbraw/zinc/70/43/63/351704363.db2.gz ILJAHKSFMSDCEB-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081255939 351704365 /nfs/dbraw/zinc/70/43/65/351704365.db2.gz ILJAHKSFMSDCEB-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)C[NH+]1CCCC1 ZINC000088372336 351725363 /nfs/dbraw/zinc/72/53/63/351725363.db2.gz BZLXVNGTPLDGRK-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000091311239 351743861 /nfs/dbraw/zinc/74/38/61/351743861.db2.gz WQWKYKUUBAFXGT-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CCC[NH2+]1 ZINC000091668309 351745587 /nfs/dbraw/zinc/74/55/87/351745587.db2.gz PZKHANZTGZKQJC-UTUOFQBUSA-N 2 1 253.346 -0.282 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CCC[NH2+]C1 ZINC000091668070 351745737 /nfs/dbraw/zinc/74/57/37/351745737.db2.gz LITFGCKVBFJIQI-YNEHKIRRSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000094648501 351764026 /nfs/dbraw/zinc/76/40/26/351764026.db2.gz RIQXKSFLRDPSNG-XQQFMLRXSA-N 2 1 268.405 -0.264 20 0 CBADMP CNC(=O)CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115545852 351820499 /nfs/dbraw/zinc/82/04/99/351820499.db2.gz CNVLVXFSWSJULS-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP CNC(=O)CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115545852 351820503 /nfs/dbraw/zinc/82/05/03/351820503.db2.gz CNVLVXFSWSJULS-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCCS(C)(=O)=O ZINC000119678019 351834654 /nfs/dbraw/zinc/83/46/54/351834654.db2.gz FJOBWBPTIPXPKW-UHFFFAOYSA-N 2 1 291.461 -0.010 20 0 CBADMP CN(CC[N@@H+](C)CCOCCO)C1CC[NH+](C)CC1 ZINC000119719689 351835957 /nfs/dbraw/zinc/83/59/57/351835957.db2.gz KXWGYRNLQIXSPX-UHFFFAOYSA-N 2 1 273.421 -0.047 20 0 CBADMP C[NH+](C)C[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000113512075 351813616 /nfs/dbraw/zinc/81/36/16/351813616.db2.gz LLXOHUUJJMJTEH-NSHDSACASA-N 2 1 268.361 -0.188 20 0 CBADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000113512075 351813619 /nfs/dbraw/zinc/81/36/19/351813619.db2.gz LLXOHUUJJMJTEH-NSHDSACASA-N 2 1 268.361 -0.188 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000114073024 351814819 /nfs/dbraw/zinc/81/48/19/351814819.db2.gz CHJZPWICULHFOH-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000114073024 351814822 /nfs/dbraw/zinc/81/48/22/351814822.db2.gz CHJZPWICULHFOH-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000114073024 351814827 /nfs/dbraw/zinc/81/48/27/351814827.db2.gz CHJZPWICULHFOH-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000114073105 351814970 /nfs/dbraw/zinc/81/49/70/351814970.db2.gz OFMPIJONGPNXMS-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000114384916 351817402 /nfs/dbraw/zinc/81/74/02/351817402.db2.gz JUGXWFRGKCMQFB-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](CCCNC(=O)C(C)(C)C[NH3+])CC1 ZINC000123102605 187071626 /nfs/dbraw/zinc/07/16/26/187071626.db2.gz PHQHZWLXAXQCOY-UHFFFAOYSA-N 2 1 256.394 -0.275 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000126231822 351859449 /nfs/dbraw/zinc/85/94/49/351859449.db2.gz JGMPQSXFLLZTFA-OCCSQVGLSA-N 2 1 298.431 -0.068 20 0 CBADMP O=C1CCN(C/C=C/C[N@H+]2CCNC(=O)CC2)CCN1 ZINC000126158195 351859857 /nfs/dbraw/zinc/85/98/57/351859857.db2.gz WLBCRULDCJNHDA-OWOJBTEDSA-N 2 1 280.372 -0.814 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000126302470 351861001 /nfs/dbraw/zinc/86/10/01/351861001.db2.gz RCHBVXQYBHNAIX-WCQYABFASA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1C[C@@H](N(C)CC(=O)N2CCNC(=O)C2)CC[N@H+]1C ZINC000123837555 187110764 /nfs/dbraw/zinc/11/07/64/187110764.db2.gz XIOAMPSUSGEERT-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP C[N@@H+](CCNC(=O)CNC(=O)C[NH3+])Cc1ccccc1 ZINC000144181101 351926658 /nfs/dbraw/zinc/92/66/58/351926658.db2.gz LZZIZLIYYYAEAW-UHFFFAOYSA-N 2 1 278.356 -0.691 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000131567675 351887860 /nfs/dbraw/zinc/88/78/60/351887860.db2.gz MSDUJEDEDUNYNA-BDAKNGLRSA-N 2 1 254.334 -0.356 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000131567675 351887861 /nfs/dbraw/zinc/88/78/61/351887861.db2.gz MSDUJEDEDUNYNA-BDAKNGLRSA-N 2 1 254.334 -0.356 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000166597557 351987486 /nfs/dbraw/zinc/98/74/86/351987486.db2.gz SBLUMHWRFCWLSO-NWDGAFQWSA-N 2 1 257.378 -0.074 20 0 CBADMP CCC[N@H+]1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000166586102 351987978 /nfs/dbraw/zinc/98/79/78/351987978.db2.gz HPYBTGLSNBJAAK-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP COCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000174516068 352048369 /nfs/dbraw/zinc/04/83/69/352048369.db2.gz KZTUCZBSPQZCJS-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000174516068 352048372 /nfs/dbraw/zinc/04/83/72/352048372.db2.gz KZTUCZBSPQZCJS-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCO)CC2)CC1 ZINC000177717710 352075100 /nfs/dbraw/zinc/07/51/00/352075100.db2.gz NXGGQBCMHPIAHL-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP CC[N@@H+](C)CCNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000171726501 352015476 /nfs/dbraw/zinc/01/54/76/352015476.db2.gz ZYYACYDWNCIPNP-CYBMUJFWSA-N 2 1 285.436 -0.127 20 0 CBADMP C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000172797729 352031182 /nfs/dbraw/zinc/03/11/82/352031182.db2.gz UBAFLIVJNUZJPH-LBPRGKRZSA-N 2 1 255.362 -0.130 20 0 CBADMP C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000172797729 352031184 /nfs/dbraw/zinc/03/11/84/352031184.db2.gz UBAFLIVJNUZJPH-LBPRGKRZSA-N 2 1 255.362 -0.130 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186720883 352131060 /nfs/dbraw/zinc/13/10/60/352131060.db2.gz AQDDGZOBFFJYJL-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186720518 352131459 /nfs/dbraw/zinc/13/14/59/352131459.db2.gz UQJYCQPELGQEJW-YPMHNXCESA-N 2 1 282.388 -0.608 20 0 CBADMP CC[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000178258792 352077366 /nfs/dbraw/zinc/07/73/66/352077366.db2.gz NSFKSVCXQBGSGS-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CN1CCN([C@@H]2CCNC2=O)CC1 ZINC000178201151 352077493 /nfs/dbraw/zinc/07/74/93/352077493.db2.gz QLBSIMUOBZSIIG-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000186899561 352134298 /nfs/dbraw/zinc/13/42/98/352134298.db2.gz QJXJRDOUZMQBOE-STQMWFEESA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000186899561 352134299 /nfs/dbraw/zinc/13/42/99/352134299.db2.gz QJXJRDOUZMQBOE-STQMWFEESA-N 2 1 299.415 -0.379 20 0 CBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000178700529 352081698 /nfs/dbraw/zinc/08/16/98/352081698.db2.gz FMTBLEQUNRVYTF-AAEUAGOBSA-N 2 1 284.404 -0.360 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1CCC[N@H+](C2CC2)CC1 ZINC000178747819 352082635 /nfs/dbraw/zinc/08/26/35/352082635.db2.gz GAPCDJKEUMHOBI-LBPRGKRZSA-N 2 1 253.346 -0.329 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H](C)[NH3+])CC2)C1 ZINC000178885353 352085982 /nfs/dbraw/zinc/08/59/82/352085982.db2.gz GJXXJFRDJGHJCD-KBPBESRZSA-N 2 1 298.431 -0.413 20 0 CBADMP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)C[NH2+]CC2CC2)cn1 ZINC000181362849 352099309 /nfs/dbraw/zinc/09/93/09/352099309.db2.gz ULRYNAYVSNGZKZ-ZDUSSCGKSA-N 2 1 277.372 -0.107 20 0 CBADMP C[C@@H](O)CCN(C)CC(O)C[N@@H+](C)CC[C@@H](C)O ZINC000181801049 352100929 /nfs/dbraw/zinc/10/09/29/352100929.db2.gz OIYFBXKVYGPGBN-VXGBXAGGSA-N 2 1 262.394 -0.247 20 0 CBADMP OC[C@H]1CCCN(CC(O)C[N@H+]2CCC[C@H](CO)C2)C1 ZINC000181774540 352101459 /nfs/dbraw/zinc/10/14/59/352101459.db2.gz CUORCZQUUMYSNR-KBPBESRZSA-N 2 1 286.416 -0.244 20 0 CBADMP OC[C@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@H](CO)C2)C1 ZINC000181774540 352101463 /nfs/dbraw/zinc/10/14/63/352101463.db2.gz CUORCZQUUMYSNR-KBPBESRZSA-N 2 1 286.416 -0.244 20 0 CBADMP OC[C@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@H](CO)C2)C1 ZINC000181774540 352101466 /nfs/dbraw/zinc/10/14/66/352101466.db2.gz CUORCZQUUMYSNR-KBPBESRZSA-N 2 1 286.416 -0.244 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCNC1=O ZINC000182959896 352106478 /nfs/dbraw/zinc/10/64/78/352106478.db2.gz NWVWTQWIGBSMGQ-UHFFFAOYSA-N 2 1 297.403 -0.893 20 0 CBADMP CC[N@@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)NC)[C@H](C)C1 ZINC000187193208 352136251 /nfs/dbraw/zinc/13/62/51/352136251.db2.gz FQQLVIBPVKWVSW-GHMZBOCLSA-N 2 1 263.407 -0.145 20 0 CBADMP CC[N@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)NC)[C@H](C)C1 ZINC000187193208 352136254 /nfs/dbraw/zinc/13/62/54/352136254.db2.gz FQQLVIBPVKWVSW-GHMZBOCLSA-N 2 1 263.407 -0.145 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188736183 352157579 /nfs/dbraw/zinc/15/75/79/352157579.db2.gz RBJZIQRTEIBXEC-SECBINFHSA-N 2 1 263.345 -0.121 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000188761957 352158503 /nfs/dbraw/zinc/15/85/03/352158503.db2.gz JWPURCLWOQUJBH-WHOHXGKFSA-N 2 1 273.352 -0.400 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000188761957 352158507 /nfs/dbraw/zinc/15/85/07/352158507.db2.gz JWPURCLWOQUJBH-WHOHXGKFSA-N 2 1 273.352 -0.400 20 0 CBADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188981578 352162701 /nfs/dbraw/zinc/16/27/01/352162701.db2.gz MJSLVFTZLQYXQY-QJPTWQEYSA-N 2 1 273.352 -0.399 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188037694 352146192 /nfs/dbraw/zinc/14/61/92/352146192.db2.gz FKLLQZSSEGHXMB-CHWSQXEVSA-N 2 1 285.388 -0.552 20 0 CBADMP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1CC ZINC000188188705 352148362 /nfs/dbraw/zinc/14/83/62/352148362.db2.gz WKXNDAGQKPXGOR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1CC ZINC000188188705 352148365 /nfs/dbraw/zinc/14/83/65/352148365.db2.gz WKXNDAGQKPXGOR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H]1C[C@H](N(C)C(=O)[C@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000188235023 352149866 /nfs/dbraw/zinc/14/98/66/352149866.db2.gz OSZVBGURYGBIQJ-QJPTWQEYSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000219036551 352236869 /nfs/dbraw/zinc/23/68/69/352236869.db2.gz MVVNNVWHWDWDTF-MFKMUULPSA-N 2 1 284.404 -0.315 20 0 CBADMP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221172057 352240124 /nfs/dbraw/zinc/24/01/24/352240124.db2.gz FVOVYBDRMWKUBT-WDEREUQCSA-N 2 1 271.361 -0.275 20 0 CBADMP CCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221172057 352240125 /nfs/dbraw/zinc/24/01/25/352240125.db2.gz FVOVYBDRMWKUBT-WDEREUQCSA-N 2 1 271.361 -0.275 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000193638750 352207721 /nfs/dbraw/zinc/20/77/21/352207721.db2.gz XFRFUMFYBFHMGI-IJLUTSLNSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000193638750 352207722 /nfs/dbraw/zinc/20/77/22/352207722.db2.gz XFRFUMFYBFHMGI-IJLUTSLNSA-N 2 1 255.362 -0.036 20 0 CBADMP C[N@H+]1C[C@H]2CN(CC(=O)N3CC[NH+](C)CC3)C[C@H]2C1 ZINC000193620689 352207754 /nfs/dbraw/zinc/20/77/54/352207754.db2.gz ZHYCPAZSRGANLT-BETUJISGSA-N 2 1 266.389 -0.746 20 0 CBADMP C[N@@H+]1C[C@H]2CN(CC(=O)N3CC[NH+](C)CC3)C[C@H]2C1 ZINC000193620689 352207755 /nfs/dbraw/zinc/20/77/55/352207755.db2.gz ZHYCPAZSRGANLT-BETUJISGSA-N 2 1 266.389 -0.746 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000227392831 352258155 /nfs/dbraw/zinc/25/81/55/352258155.db2.gz ULQBURJLSDKKHO-QJPTWQEYSA-N 2 1 255.362 -0.097 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC000228474482 352261887 /nfs/dbraw/zinc/26/18/87/352261887.db2.gz VFIKDHMYUKCGPI-JHJVBQTASA-N 2 1 267.373 -0.096 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC000228474498 352261938 /nfs/dbraw/zinc/26/19/38/352261938.db2.gz VFIKDHMYUKCGPI-YNEHKIRRSA-N 2 1 267.373 -0.096 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000225355824 352246981 /nfs/dbraw/zinc/24/69/81/352246981.db2.gz LWLLWZZWHIEUTI-GJZGRUSLSA-N 2 1 290.411 -0.082 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000232114756 352279014 /nfs/dbraw/zinc/27/90/14/352279014.db2.gz LPMWBSBNJMJRHV-ZYHUDNBSSA-N 2 1 255.362 -0.049 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000236782156 352294421 /nfs/dbraw/zinc/29/44/21/352294421.db2.gz FKLLQZSSEGHXMB-OLZOCXBDSA-N 2 1 285.388 -0.552 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000236874886 352294982 /nfs/dbraw/zinc/29/49/82/352294982.db2.gz KGCQUUHVGOLQCU-ZDUSSCGKSA-N 2 1 268.405 -0.118 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCC[NH2+]CCOC)CC1 ZINC000236844402 352295377 /nfs/dbraw/zinc/29/53/77/352295377.db2.gz COFNJQJDDJEVTO-UHFFFAOYSA-N 2 1 286.420 -0.634 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]C)C1 ZINC000236899822 352296216 /nfs/dbraw/zinc/29/62/16/352296216.db2.gz OWQDLKBWMPQRNT-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]C)C1 ZINC000236899822 352296219 /nfs/dbraw/zinc/29/62/19/352296219.db2.gz OWQDLKBWMPQRNT-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[NH2+]C1CC1 ZINC000237084914 352298521 /nfs/dbraw/zinc/29/85/21/352298521.db2.gz IOSUDGLJQBNTMA-GFCCVEGCSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000237112753 352299658 /nfs/dbraw/zinc/29/96/58/352299658.db2.gz JSEWQYHLGYDTQZ-GFCCVEGCSA-N 2 1 287.429 -0.128 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000237152679 352300194 /nfs/dbraw/zinc/30/01/94/352300194.db2.gz APDNHODWRHVIFJ-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000237156329 352300800 /nfs/dbraw/zinc/30/08/00/352300800.db2.gz JYKHSHQWHXPJHT-CQSZACIVSA-N 2 1 282.432 -0.014 20 0 CBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000245457808 352320263 /nfs/dbraw/zinc/32/02/63/352320263.db2.gz JZQWOZGKGYXTTG-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000245457808 352320266 /nfs/dbraw/zinc/32/02/66/352320266.db2.gz JZQWOZGKGYXTTG-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000245457808 352320268 /nfs/dbraw/zinc/32/02/68/352320268.db2.gz JZQWOZGKGYXTTG-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000245457808 352320272 /nfs/dbraw/zinc/32/02/72/352320272.db2.gz JZQWOZGKGYXTTG-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000237656356 352308195 /nfs/dbraw/zinc/30/81/95/352308195.db2.gz QMWHDPZHPWWJMK-YVECIDJPSA-N 2 1 299.415 -0.287 20 0 CBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000237656356 352308198 /nfs/dbraw/zinc/30/81/98/352308198.db2.gz QMWHDPZHPWWJMK-YVECIDJPSA-N 2 1 299.415 -0.287 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000248561775 352353478 /nfs/dbraw/zinc/35/34/78/352353478.db2.gz AYMSSKSBWPQCMX-CYDGBPFRSA-N 2 1 267.373 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000248561775 352353483 /nfs/dbraw/zinc/35/34/83/352353483.db2.gz AYMSSKSBWPQCMX-CYDGBPFRSA-N 2 1 267.373 -0.097 20 0 CBADMP C[C@H](O)CN1CCN(CC(=O)N2CCN(C)CC2)C[C@@H]1C ZINC000245693676 352324171 /nfs/dbraw/zinc/32/41/71/352324171.db2.gz WOQZUIUASVIIPT-KBPBESRZSA-N 2 1 298.431 -0.853 20 0 CBADMP O[C@@H](CN1CCC[C@H](O)C1)C[N@H+]1CCC[C@@H](O)C1 ZINC000245888609 352326385 /nfs/dbraw/zinc/32/63/85/352326385.db2.gz BYBYNOZGNMRJCA-CLLJXQQHSA-N 2 1 258.362 -0.739 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250354865 352371882 /nfs/dbraw/zinc/37/18/82/352371882.db2.gz YEKGKFFTRYWWNN-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000250650849 352373234 /nfs/dbraw/zinc/37/32/34/352373234.db2.gz WQWKYKUUBAFXGT-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)CC[C@H]1[NH3+] ZINC000251763704 352375237 /nfs/dbraw/zinc/37/52/37/352375237.db2.gz LZMQEZDKHORCMI-VHSXEESVSA-N 2 1 268.361 -0.014 20 0 CBADMP C[C@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)CC[C@H]1[NH3+] ZINC000251763704 352375239 /nfs/dbraw/zinc/37/52/39/352375239.db2.gz LZMQEZDKHORCMI-VHSXEESVSA-N 2 1 268.361 -0.014 20 0 CBADMP C[C@H]1C[N@@H+](CC(=O)N2CCN(C)CC2)CC[C@H]1O ZINC000251954343 352376501 /nfs/dbraw/zinc/37/65/01/352376501.db2.gz YKNAZYMWSBGJRJ-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261927694 352400600 /nfs/dbraw/zinc/40/06/00/352400600.db2.gz LEHIMKPTKIJTCN-NEPJUHHUSA-N 2 1 275.418 0.000 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261927694 352400603 /nfs/dbraw/zinc/40/06/03/352400603.db2.gz LEHIMKPTKIJTCN-NEPJUHHUSA-N 2 1 275.418 0.000 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261568810 352388218 /nfs/dbraw/zinc/38/82/18/352388218.db2.gz JKWSGOKNENUZKY-ZJUUUORDSA-N 2 1 254.334 -0.484 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261568810 352388219 /nfs/dbraw/zinc/38/82/19/352388219.db2.gz JKWSGOKNENUZKY-ZJUUUORDSA-N 2 1 254.334 -0.484 20 0 CBADMP CC[N@H+](CCOCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000261560923 352388336 /nfs/dbraw/zinc/38/83/36/352388336.db2.gz AJAWAJLMFHMTRD-SNVBAGLBSA-N 2 1 250.364 -0.529 20 0 CBADMP CC[N@@H+](CCOCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000261560923 352388338 /nfs/dbraw/zinc/38/83/38/352388338.db2.gz AJAWAJLMFHMTRD-SNVBAGLBSA-N 2 1 250.364 -0.529 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000261577124 352388630 /nfs/dbraw/zinc/38/86/30/352388630.db2.gz OCYFIANGRNCWGJ-ZDUSSCGKSA-N 2 1 255.362 -0.223 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000261603272 352390537 /nfs/dbraw/zinc/39/05/37/352390537.db2.gz AQKYGFUBCQOFLX-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261920274 352400778 /nfs/dbraw/zinc/40/07/78/352400778.db2.gz YPEZCFAIORYEFU-CMPLNLGQSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261920274 352400781 /nfs/dbraw/zinc/40/07/81/352400781.db2.gz YPEZCFAIORYEFU-CMPLNLGQSA-N 2 1 255.362 -0.097 20 0 CBADMP CC1(C)NC(=O)N(CC[N@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000261667638 352392889 /nfs/dbraw/zinc/39/28/89/352392889.db2.gz ZTXKGTMHKWCEFE-ZDUSSCGKSA-N 2 1 268.361 -0.013 20 0 CBADMP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000261667638 352392892 /nfs/dbraw/zinc/39/28/92/352392892.db2.gz ZTXKGTMHKWCEFE-ZDUSSCGKSA-N 2 1 268.361 -0.013 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000261700266 352393833 /nfs/dbraw/zinc/39/38/33/352393833.db2.gz JFMQINYTTBZEKZ-CQSZACIVSA-N 2 1 298.431 -0.635 20 0 CBADMP NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261762641 352394751 /nfs/dbraw/zinc/39/47/51/352394751.db2.gz DAZXXJHWJJBFMW-WDEREUQCSA-N 2 1 261.391 -0.261 20 0 CBADMP NS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261762641 352394752 /nfs/dbraw/zinc/39/47/52/352394752.db2.gz DAZXXJHWJJBFMW-WDEREUQCSA-N 2 1 261.391 -0.261 20 0 CBADMP NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261762638 352395586 /nfs/dbraw/zinc/39/55/86/352395586.db2.gz DAZXXJHWJJBFMW-GHMZBOCLSA-N 2 1 261.391 -0.261 20 0 CBADMP NS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261762638 352395587 /nfs/dbraw/zinc/39/55/87/352395587.db2.gz DAZXXJHWJJBFMW-GHMZBOCLSA-N 2 1 261.391 -0.261 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261801156 352397851 /nfs/dbraw/zinc/39/78/51/352397851.db2.gz OCUIXNRJHGKCRJ-UTUOFQBUSA-N 2 1 271.361 -0.670 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCN(C)CC2)[C@H]1CO ZINC000248935367 352358809 /nfs/dbraw/zinc/35/88/09/352358809.db2.gz NCKSLHSWKAJBSL-RYUDHWBXSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CNC(=O)C[NH3+])C1 ZINC000262180512 352409411 /nfs/dbraw/zinc/40/94/11/352409411.db2.gz RWNITYZDQHMXDF-GFCCVEGCSA-N 2 1 284.404 -0.310 20 0 CBADMP CC[C@H]1CN(C(=O)C2C[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000262224684 352410905 /nfs/dbraw/zinc/41/09/05/352410905.db2.gz KZPUFBGSODBNGZ-PWSUYJOCSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000262375105 352419335 /nfs/dbraw/zinc/41/93/35/352419335.db2.gz MWFAJYNWNHSLHO-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262447442 352422438 /nfs/dbraw/zinc/42/24/38/352422438.db2.gz UHERHYBXYOENSU-AGIUHOORSA-N 2 1 269.389 -0.054 20 0 CBADMP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262533884 352425641 /nfs/dbraw/zinc/42/56/41/352425641.db2.gz PRDBWHXQLPVNDR-SWLSCSKDSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262566826 352425990 /nfs/dbraw/zinc/42/59/90/352425990.db2.gz YCGVRGSVGDZQPQ-WOPDTQHZSA-N 2 1 255.362 -0.300 20 0 CBADMP CCC[C@](C)([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000262666719 352429994 /nfs/dbraw/zinc/42/99/94/352429994.db2.gz KONARVNQMBLXHW-AWEZNQCLSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(C)(C)[NH3+])CC1 ZINC000262665426 352430651 /nfs/dbraw/zinc/43/06/51/352430651.db2.gz JMYQZKHHETVMEZ-UHFFFAOYSA-N 2 1 256.350 -0.996 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000263225772 352440129 /nfs/dbraw/zinc/44/01/29/352440129.db2.gz GKTKIZGIMSQYNI-SUHUHFCYSA-N 2 1 296.415 -0.315 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000262028197 352404376 /nfs/dbraw/zinc/40/43/76/352404376.db2.gz PFQRYKBZBRDFMD-MCIONIFRSA-N 2 1 299.415 -0.034 20 0 CBADMP C[NH2+]CCC1CC[NH+](CC(=O)N[C@H](C)C(=O)N(C)C)CC1 ZINC000262022980 352404502 /nfs/dbraw/zinc/40/45/02/352404502.db2.gz YNORNFNSQMRFEF-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262056404 352405247 /nfs/dbraw/zinc/40/52/47/352405247.db2.gz QREKNBBPMXQKQP-VXGBXAGGSA-N 2 1 275.418 0.000 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262056404 352405251 /nfs/dbraw/zinc/40/52/51/352405251.db2.gz QREKNBBPMXQKQP-VXGBXAGGSA-N 2 1 275.418 0.000 20 0 CBADMP CN(C)c1cc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc[nH+]1 ZINC000269269847 352464821 /nfs/dbraw/zinc/46/48/21/352464821.db2.gz RRINGFWVZOZUJV-VHSXEESVSA-N 2 1 250.302 -0.191 20 0 CBADMP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)[NH+](C)C)cc1 ZINC000269743507 352480182 /nfs/dbraw/zinc/48/01/82/352480182.db2.gz WRSIHOXIESINSP-QWHCGFSZSA-N 2 1 292.383 -0.083 20 0 CBADMP C[C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)[N@H+](C)Cc1ccccc1 ZINC000269742673 352480409 /nfs/dbraw/zinc/48/04/09/352480409.db2.gz WFIWKKPANGTRSS-WCQYABFASA-N 2 1 292.383 -0.174 20 0 CBADMP C[C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)[N@@H+](C)Cc1ccccc1 ZINC000269742673 352480411 /nfs/dbraw/zinc/48/04/11/352480411.db2.gz WFIWKKPANGTRSS-WCQYABFASA-N 2 1 292.383 -0.174 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)Cn1cc([C@@H]([NH3+])C(C)C)nn1 ZINC000312676941 352775529 /nfs/dbraw/zinc/77/55/29/352775529.db2.gz CJAMOGOUJJZOJR-AAEUAGOBSA-N 2 1 285.392 -0.127 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc([C@H]([NH3+])C(C)C)nn1 ZINC000312676942 352775836 /nfs/dbraw/zinc/77/58/36/352775836.db2.gz CJAMOGOUJJZOJR-DGCLKSJQSA-N 2 1 285.392 -0.127 20 0 CBADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CN2CCOCC2)C1 ZINC000304696419 352746996 /nfs/dbraw/zinc/74/69/96/352746996.db2.gz ILGBXVFLTITEKK-LSDHHAIUSA-N 2 1 285.432 -0.047 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CN2CCOCC2)C1 ZINC000304696419 352746998 /nfs/dbraw/zinc/74/69/98/352746998.db2.gz ILGBXVFLTITEKK-LSDHHAIUSA-N 2 1 285.432 -0.047 20 0 CBADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000304696419 352746999 /nfs/dbraw/zinc/74/69/99/352746999.db2.gz ILGBXVFLTITEKK-LSDHHAIUSA-N 2 1 285.432 -0.047 20 0 CBADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000304696419 352747001 /nfs/dbraw/zinc/74/70/01/352747001.db2.gz ILGBXVFLTITEKK-LSDHHAIUSA-N 2 1 285.432 -0.047 20 0 CBADMP OC[C@@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1CO ZINC000304780959 352747610 /nfs/dbraw/zinc/74/76/10/352747610.db2.gz GAIMFTBMOXQKKA-KBPBESRZSA-N 2 1 272.389 -0.084 20 0 CBADMP O[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](O)C2)C1 ZINC000304786583 352747782 /nfs/dbraw/zinc/74/77/82/352747782.db2.gz IMNWMMGSUDJJFV-OKILXGFUSA-N 2 1 272.389 -0.084 20 0 CBADMP O[C@@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@H](O)C2)C1 ZINC000304786583 352747784 /nfs/dbraw/zinc/74/77/84/352747784.db2.gz IMNWMMGSUDJJFV-OKILXGFUSA-N 2 1 272.389 -0.084 20 0 CBADMP O[C@@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@H](O)C2)C1 ZINC000304786583 352747785 /nfs/dbraw/zinc/74/77/85/352747785.db2.gz IMNWMMGSUDJJFV-OKILXGFUSA-N 2 1 272.389 -0.084 20 0 CBADMP CC(C)NC(=O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310934669 352764349 /nfs/dbraw/zinc/76/43/49/352764349.db2.gz VHXNKFLHEHGHNF-GFCCVEGCSA-N 2 1 257.378 -0.054 20 0 CBADMP CC(C)NC(=O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310934669 352764350 /nfs/dbraw/zinc/76/43/50/352764350.db2.gz VHXNKFLHEHGHNF-GFCCVEGCSA-N 2 1 257.378 -0.054 20 0 CBADMP COC[C@@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[NH2+]C1 ZINC000311767614 352770335 /nfs/dbraw/zinc/77/03/35/352770335.db2.gz VQPLVQPZDAGIBF-SMDDNHRTSA-N 2 1 267.373 -0.035 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312050882 352772746 /nfs/dbraw/zinc/77/27/46/352772746.db2.gz XCIZJFZHTCZUOQ-PHIMTYICSA-N 2 1 268.361 -0.237 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000314582094 352779940 /nfs/dbraw/zinc/77/99/40/352779940.db2.gz QFCMLCDSMNAZEF-UHFFFAOYSA-N 2 1 299.415 -0.064 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC000331103292 352878484 /nfs/dbraw/zinc/87/84/84/352878484.db2.gz HFZAXBBAXZQZMF-OKILXGFUSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC000331103292 352878489 /nfs/dbraw/zinc/87/84/89/352878489.db2.gz HFZAXBBAXZQZMF-OKILXGFUSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000332101180 352934395 /nfs/dbraw/zinc/93/43/95/352934395.db2.gz QCNSNSGWUCJSRT-OLZOCXBDSA-N 2 1 294.399 -0.497 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000332101180 352934402 /nfs/dbraw/zinc/93/44/02/352934402.db2.gz QCNSNSGWUCJSRT-OLZOCXBDSA-N 2 1 294.399 -0.497 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000332101180 352934404 /nfs/dbraw/zinc/93/44/04/352934404.db2.gz QCNSNSGWUCJSRT-OLZOCXBDSA-N 2 1 294.399 -0.497 20 0 CBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000332092142 352934978 /nfs/dbraw/zinc/93/49/78/352934978.db2.gz BSQMQVNRZAVKMZ-UPJWGTAASA-N 2 1 294.399 -0.450 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000331523649 352921811 /nfs/dbraw/zinc/92/18/11/352921811.db2.gz RJOCHXRGCXVMLH-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000331959388 352928679 /nfs/dbraw/zinc/92/86/79/352928679.db2.gz KECGEMQGQVRPFB-LLVKDONJSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332038185 352930096 /nfs/dbraw/zinc/93/00/96/352930096.db2.gz LACNOTOGEROKMO-YNEHKIRRSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332038184 352930408 /nfs/dbraw/zinc/93/04/08/352930408.db2.gz LACNOTOGEROKMO-XQQFMLRXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332731123 352980703 /nfs/dbraw/zinc/98/07/03/352980703.db2.gz RNVSDPVTPAUFJQ-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332731123 352980707 /nfs/dbraw/zinc/98/07/07/352980707.db2.gz RNVSDPVTPAUFJQ-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332184618 352939406 /nfs/dbraw/zinc/93/94/06/352939406.db2.gz AMATUQYZNLVPST-STQMWFEESA-N 2 1 294.399 -0.497 20 0 CBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000332189981 352939447 /nfs/dbraw/zinc/93/94/47/352939447.db2.gz UWSOUSQGKQNCJT-VXGBXAGGSA-N 2 1 280.372 -0.757 20 0 CBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000332189981 352939449 /nfs/dbraw/zinc/93/94/49/352939449.db2.gz UWSOUSQGKQNCJT-VXGBXAGGSA-N 2 1 280.372 -0.757 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000332390284 352947791 /nfs/dbraw/zinc/94/77/91/352947791.db2.gz WTDCOCVIENEIOH-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332558548 352965654 /nfs/dbraw/zinc/96/56/54/352965654.db2.gz OTXXNJIJAZLICK-RYUDHWBXSA-N 2 1 280.372 -0.839 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000332560518 352965796 /nfs/dbraw/zinc/96/57/96/352965796.db2.gz QDUZRLOOQKOVTD-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000333944532 353014606 /nfs/dbraw/zinc/01/46/06/353014606.db2.gz SAMNUGJBPCSENR-GFCCVEGCSA-N 2 1 297.403 -0.798 20 0 CBADMP C[C@H]1[NH2+]CCN(C(=O)NCC(F)(F)C[NH3+])[C@H]1C ZINC000335423785 353032573 /nfs/dbraw/zinc/03/25/73/353032573.db2.gz UFOJSHJCKDUTJR-SFYZADRCSA-N 2 1 250.293 -0.028 20 0 CBADMP COCC[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000333760258 353009867 /nfs/dbraw/zinc/00/98/67/353009867.db2.gz AIVRTVYTQJDDSU-LBPRGKRZSA-N 2 1 270.377 -0.288 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000333784474 353010885 /nfs/dbraw/zinc/01/08/85/353010885.db2.gz FDOYSXMFEABJJG-RYUDHWBXSA-N 2 1 270.377 -0.554 20 0 CBADMP 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 353012083 /nfs/dbraw/zinc/01/20/83/353012083.db2.gz PZCMQSRJJSAYKU-QSLWVIQJSA-N 2 1 296.415 -0.309 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000333850051 353012119 /nfs/dbraw/zinc/01/21/19/353012119.db2.gz PXJFBGJPOONWGU-YNEHKIRRSA-N 2 1 284.404 -0.165 20 0 CBADMP O=C(NCCN1CC[NH2+]CC1)N1CC[NH+](C2CC2)CC1 ZINC000333881187 353012652 /nfs/dbraw/zinc/01/26/52/353012652.db2.gz WFGUTCVCVBKTGN-UHFFFAOYSA-N 2 1 281.404 -0.619 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000333872803 353012948 /nfs/dbraw/zinc/01/29/48/353012948.db2.gz UVXFMOCYLFCMJK-QWHCGFSZSA-N 2 1 284.404 -0.042 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CCOCC1)CC1CC[NH2+]CC1 ZINC000336819108 353059856 /nfs/dbraw/zinc/05/98/56/353059856.db2.gz YGVYXMWBXADJRX-AWEZNQCLSA-N 2 1 271.405 -0.389 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000336823715 353060415 /nfs/dbraw/zinc/06/04/15/353060415.db2.gz QXXVECNOCQFJCV-HUUCEWRRSA-N 2 1 285.432 -0.047 20 0 CBADMP C[NH+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000336823715 353060418 /nfs/dbraw/zinc/06/04/18/353060418.db2.gz QXXVECNOCQFJCV-HUUCEWRRSA-N 2 1 285.432 -0.047 20 0 CBADMP C[NH+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336823715 353060420 /nfs/dbraw/zinc/06/04/20/353060420.db2.gz QXXVECNOCQFJCV-HUUCEWRRSA-N 2 1 285.432 -0.047 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCN1CCNC1=O ZINC000336844145 353063914 /nfs/dbraw/zinc/06/39/14/353063914.db2.gz YMNNWQVDHPXSDW-UHFFFAOYSA-N 2 1 283.420 -0.419 20 0 CBADMP C[N@H+](CCC[NH+]1CCCC1)CCN1C(=O)CNC1=O ZINC000337218510 353079622 /nfs/dbraw/zinc/07/96/22/353079622.db2.gz BZTDHQOOHNZBKL-UHFFFAOYSA-N 2 1 268.361 -0.044 20 0 CBADMP C[N@@H+](CCC[NH+]1CCCC1)CCN1C(=O)CNC1=O ZINC000337218510 353079624 /nfs/dbraw/zinc/07/96/24/353079624.db2.gz BZTDHQOOHNZBKL-UHFFFAOYSA-N 2 1 268.361 -0.044 20 0 CBADMP CCC[N@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338252140 353091622 /nfs/dbraw/zinc/09/16/22/353091622.db2.gz GMTRTBWXIBSMTC-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP CCC[N@@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338252140 353091626 /nfs/dbraw/zinc/09/16/26/353091626.db2.gz GMTRTBWXIBSMTC-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP C[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338282294 353092334 /nfs/dbraw/zinc/09/23/34/353092334.db2.gz WTMODKJZOIMODB-NWDGAFQWSA-N 2 1 255.362 -0.394 20 0 CBADMP C[C@H]1C[C@@H](O)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338282294 353092337 /nfs/dbraw/zinc/09/23/37/353092337.db2.gz WTMODKJZOIMODB-NWDGAFQWSA-N 2 1 255.362 -0.394 20 0 CBADMP C[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338282296 353092521 /nfs/dbraw/zinc/09/25/21/353092521.db2.gz WTMODKJZOIMODB-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP C[C@H]1C[C@H](O)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338282296 353092522 /nfs/dbraw/zinc/09/25/22/353092522.db2.gz WTMODKJZOIMODB-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC[C@@H]1O ZINC000338312198 353094926 /nfs/dbraw/zinc/09/49/26/353094926.db2.gz BQONKTBLVZCDTR-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC[C@@H]1O ZINC000338312198 353094929 /nfs/dbraw/zinc/09/49/29/353094929.db2.gz BQONKTBLVZCDTR-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C(N)=O)C1 ZINC000338326495 353095854 /nfs/dbraw/zinc/09/58/54/353095854.db2.gz ZORBEQZWNYGHAZ-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C(N)=O)C1 ZINC000338326495 353095855 /nfs/dbraw/zinc/09/58/55/353095855.db2.gz ZORBEQZWNYGHAZ-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](CO)[C@H]2CCCO2)CC1 ZINC000338341993 353097217 /nfs/dbraw/zinc/09/72/17/353097217.db2.gz DXQGQXIQEDVCHO-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H]1CO ZINC000338374548 353099793 /nfs/dbraw/zinc/09/97/93/353099793.db2.gz URWZNXDVZQFMIC-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H]1CO ZINC000338374548 353099795 /nfs/dbraw/zinc/09/97/95/353099795.db2.gz URWZNXDVZQFMIC-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CC(C)NC(=O)CN(C)CC(=O)NCC[N@@H+](C)C(C)C ZINC000338425850 353101606 /nfs/dbraw/zinc/10/16/06/353101606.db2.gz RCQRKMPRQNZGLS-UHFFFAOYSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000339582169 353135405 /nfs/dbraw/zinc/13/54/05/353135405.db2.gz OZIXAFDUAFEPNI-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](C(=O)N1CCC[N@H+](C)CC1)N1CC[NH+](C)CC1 ZINC000340032815 353144952 /nfs/dbraw/zinc/14/49/52/353144952.db2.gz IHKWYGFKQBUYET-ZDUSSCGKSA-N 2 1 268.405 -0.214 20 0 CBADMP C[C@@H](C(=O)N1CCC[N@@H+](C)CC1)N1CC[NH+](C)CC1 ZINC000340032815 353144954 /nfs/dbraw/zinc/14/49/54/353144954.db2.gz IHKWYGFKQBUYET-ZDUSSCGKSA-N 2 1 268.405 -0.214 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000340117770 353151948 /nfs/dbraw/zinc/15/19/48/353151948.db2.gz FLDTWYINYGUPBD-RWMBFGLXSA-N 2 1 296.415 -0.183 20 0 CBADMP C[C@@H]([NH3+])CC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000340185249 353154674 /nfs/dbraw/zinc/15/46/74/353154674.db2.gz JTDXMVVMVCYYHJ-NWDGAFQWSA-N 2 1 256.394 -0.277 20 0 CBADMP C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000340184888 353154771 /nfs/dbraw/zinc/15/47/71/353154771.db2.gz KNASLZRKJKEMSK-UWVGGRQHSA-N 2 1 256.350 -0.963 20 0 CBADMP C[C@H]([NH3+])CC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000340184498 353154967 /nfs/dbraw/zinc/15/49/67/353154967.db2.gz MIECAGGNDWXRKE-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000340215394 353157282 /nfs/dbraw/zinc/15/72/82/353157282.db2.gz RMBFRHANWIWKCN-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340510622 353174129 /nfs/dbraw/zinc/17/41/29/353174129.db2.gz OQEOPLXHYOLOBW-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000340277723 353161164 /nfs/dbraw/zinc/16/11/64/353161164.db2.gz MXFVSVQQERJDQP-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000340277723 353161165 /nfs/dbraw/zinc/16/11/65/353161165.db2.gz MXFVSVQQERJDQP-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000340953058 353193912 /nfs/dbraw/zinc/19/39/12/353193912.db2.gz JEZZSXWJHPPRLK-QWHCGFSZSA-N 2 1 270.421 -0.065 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCC(=O)NC)CC1 ZINC000341157354 353203534 /nfs/dbraw/zinc/20/35/34/353203534.db2.gz OAXXWFTUJBSVQS-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CN(C)C(=O)N1CCC([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000341163793 353204390 /nfs/dbraw/zinc/20/43/90/353204390.db2.gz AUKPQQQYPBGUAN-LBPRGKRZSA-N 2 1 272.393 -0.356 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C[NH+](C)C ZINC000341259765 353207505 /nfs/dbraw/zinc/20/75/05/353207505.db2.gz LFLDEILNUCQNQC-OLZOCXBDSA-N 2 1 268.405 -0.310 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000342766801 353231812 /nfs/dbraw/zinc/23/18/12/353231812.db2.gz XNYJHPSEHWFYJK-LLVKDONJSA-N 2 1 271.361 -0.181 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000342687579 353227513 /nfs/dbraw/zinc/22/75/13/353227513.db2.gz BKROSHQZWSXRSX-MNOVXSKESA-N 2 1 271.361 -0.133 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000342690720 353228401 /nfs/dbraw/zinc/22/84/01/353228401.db2.gz GLLURNZGXKSAGD-YPMHNXCESA-N 2 1 296.415 -0.299 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000342736208 353230601 /nfs/dbraw/zinc/23/06/01/353230601.db2.gz MTVXKRJBVSPCDU-GXSJLCMTSA-N 2 1 269.345 -0.380 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000342737521 353230771 /nfs/dbraw/zinc/23/07/71/353230771.db2.gz NBELAMNFBYISQP-NWDGAFQWSA-N 2 1 283.372 -0.038 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000342753070 353231221 /nfs/dbraw/zinc/23/12/21/353231221.db2.gz PBGMFXZGLAUFOG-NXEZZACHSA-N 2 1 257.334 -0.523 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000342948022 353241837 /nfs/dbraw/zinc/24/18/37/353241837.db2.gz UVFFNQYKHCLLQE-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP [NH3+]C[C@H](NC(=O)[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000155600030 188215359 /nfs/dbraw/zinc/21/53/59/188215359.db2.gz VVLMWMQBXBRSRN-RYUDHWBXSA-N 2 1 255.362 -0.001 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343216974 353260024 /nfs/dbraw/zinc/26/00/24/353260024.db2.gz KPMNBUIQJURYCY-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343216974 353260025 /nfs/dbraw/zinc/26/00/25/353260025.db2.gz KPMNBUIQJURYCY-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343216974 353260026 /nfs/dbraw/zinc/26/00/26/353260026.db2.gz KPMNBUIQJURYCY-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP CC[N@H+](CC(=O)NC1CC[NH+](CC(=O)NC)CC1)C1CC1 ZINC000343241824 353262059 /nfs/dbraw/zinc/26/20/59/353262059.db2.gz JXYLWAFGOZBVFD-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC(=O)NC)CC1)C1CC1 ZINC000343241824 353262063 /nfs/dbraw/zinc/26/20/63/353262063.db2.gz JXYLWAFGOZBVFD-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)CC[N@H+]1C ZINC000343298069 353265502 /nfs/dbraw/zinc/26/55/02/353265502.db2.gz NHJPMSDFJBRVFE-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC[NH+]1C ZINC000343298069 353265506 /nfs/dbraw/zinc/26/55/06/353265506.db2.gz NHJPMSDFJBRVFE-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC[NH+]1C ZINC000343298069 353265509 /nfs/dbraw/zinc/26/55/09/353265509.db2.gz NHJPMSDFJBRVFE-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000343315766 353267048 /nfs/dbraw/zinc/26/70/48/353267048.db2.gz YXBBUZMZNSAOAG-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343315766 353267050 /nfs/dbraw/zinc/26/70/50/353267050.db2.gz YXBBUZMZNSAOAG-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343315766 353267054 /nfs/dbraw/zinc/26/70/54/353267054.db2.gz YXBBUZMZNSAOAG-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000343584724 353280370 /nfs/dbraw/zinc/28/03/70/353280370.db2.gz BRCOWXVJNTUTEV-WCQYABFASA-N 2 1 285.388 -0.280 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343603208 353281176 /nfs/dbraw/zinc/28/11/76/353281176.db2.gz RPDJCCDOHJZWDM-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000343648374 353283314 /nfs/dbraw/zinc/28/33/14/353283314.db2.gz WENUAPRLLFPFEK-UHFFFAOYSA-N 2 1 296.415 -0.295 20 0 CBADMP CC[C@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCC[NH2+]1 ZINC000343770670 353290717 /nfs/dbraw/zinc/29/07/17/353290717.db2.gz TUQLODZGYPCLEH-SWLSCSKDSA-N 2 1 296.415 -0.025 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343898868 353297209 /nfs/dbraw/zinc/29/72/09/353297209.db2.gz PNKSPPVNEXCVNI-BPLDGKMQSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343898868 353297210 /nfs/dbraw/zinc/29/72/10/353297210.db2.gz PNKSPPVNEXCVNI-BPLDGKMQSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343898868 353297212 /nfs/dbraw/zinc/29/72/12/353297212.db2.gz PNKSPPVNEXCVNI-BPLDGKMQSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1C[N@@H+](CCOCCO)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343919651 353298742 /nfs/dbraw/zinc/29/87/42/353298742.db2.gz GYMFJOBZTQPKJL-CABCVRRESA-N 2 1 285.432 -0.047 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000344212843 353304575 /nfs/dbraw/zinc/30/45/75/353304575.db2.gz OFOKZHWPPADPRR-AGIUHOORSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000344212843 353304577 /nfs/dbraw/zinc/30/45/77/353304577.db2.gz OFOKZHWPPADPRR-AGIUHOORSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000344212843 353304579 /nfs/dbraw/zinc/30/45/79/353304579.db2.gz OFOKZHWPPADPRR-AGIUHOORSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000344212843 353304580 /nfs/dbraw/zinc/30/45/80/353304580.db2.gz OFOKZHWPPADPRR-AGIUHOORSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)CCC[N@H+]1C ZINC000345332517 353323935 /nfs/dbraw/zinc/32/39/35/353323935.db2.gz YKNGZMKKTKHACS-MGPQQGTHSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CCC[NH+]1C ZINC000345332517 353323939 /nfs/dbraw/zinc/32/39/39/353323939.db2.gz YKNGZMKKTKHACS-MGPQQGTHSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CCC[NH+]1C ZINC000345332517 353323940 /nfs/dbraw/zinc/32/39/40/353323940.db2.gz YKNGZMKKTKHACS-MGPQQGTHSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@H](C(=O)NCCOCC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000345949328 353356260 /nfs/dbraw/zinc/35/62/60/353356260.db2.gz FHTRLGNINUVWKT-CYBMUJFWSA-N 2 1 286.420 -0.683 20 0 CBADMP CC[NH+]1CCN(CC(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000346127368 353362726 /nfs/dbraw/zinc/36/27/26/353362726.db2.gz VMBZZESOQBJPBR-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000346175346 353364849 /nfs/dbraw/zinc/36/48/49/353364849.db2.gz HKKQJEJGERRNHD-CYBMUJFWSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000346175346 353364853 /nfs/dbraw/zinc/36/48/53/353364853.db2.gz HKKQJEJGERRNHD-CYBMUJFWSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+](C)CCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000345590028 353339806 /nfs/dbraw/zinc/33/98/06/353339806.db2.gz WJALGRQQCRFNIN-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP CC[N@@H+](CCNC(=O)CCOC1C[NH2+]C1)C1CC1 ZINC000348988496 353442851 /nfs/dbraw/zinc/44/28/51/353442851.db2.gz HVDMBPGGYTWYEH-UHFFFAOYSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000348991364 353443305 /nfs/dbraw/zinc/44/33/05/353443305.db2.gz GMXYIDWAVGPONI-NSHDSACASA-N 2 1 271.361 -0.798 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000348992151 353443859 /nfs/dbraw/zinc/44/38/59/353443859.db2.gz HSEKBHOVUFYVRW-UHFFFAOYSA-N 2 1 285.388 -0.454 20 0 CBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)CCOC1C[NH2+]C1 ZINC000349000974 353443970 /nfs/dbraw/zinc/44/39/70/353443970.db2.gz NOLUCDVWRUKYLO-GFCCVEGCSA-N 2 1 285.388 -0.408 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000349030089 353445928 /nfs/dbraw/zinc/44/59/28/353445928.db2.gz RJDANARBVYOGBR-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000349032599 353445996 /nfs/dbraw/zinc/44/59/96/353445996.db2.gz XRNOGXZAEKDLOJ-CQSZACIVSA-N 2 1 299.415 -0.162 20 0 CBADMP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000352540829 353491582 /nfs/dbraw/zinc/49/15/82/353491582.db2.gz QACBLJAIWRNAKS-OAHLLOKOSA-N 2 1 292.383 -0.341 20 0 CBADMP C[N@@H+](CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000351536513 353476013 /nfs/dbraw/zinc/47/60/13/353476013.db2.gz GVIVCYCHQYGLMV-ZDUSSCGKSA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]CC2(C)COC2)CC1 ZINC000352808532 353506460 /nfs/dbraw/zinc/50/64/60/353506460.db2.gz ACMPYYTXMJBFLK-UHFFFAOYSA-N 2 1 255.362 -0.223 20 0 CBADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000353469011 353532113 /nfs/dbraw/zinc/53/21/13/353532113.db2.gz FQQLJAVICRETRX-GMTAPVOTSA-N 2 1 270.377 -0.574 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000353469011 353532115 /nfs/dbraw/zinc/53/21/15/353532115.db2.gz FQQLJAVICRETRX-GMTAPVOTSA-N 2 1 270.377 -0.574 20 0 CBADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000353437641 353532582 /nfs/dbraw/zinc/53/25/82/353532582.db2.gz JFIUCHVGMCZQHS-WRWGMCAJSA-N 2 1 284.404 -0.328 20 0 CBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000353437641 353532584 /nfs/dbraw/zinc/53/25/84/353532584.db2.gz JFIUCHVGMCZQHS-WRWGMCAJSA-N 2 1 284.404 -0.328 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354713193 353580132 /nfs/dbraw/zinc/58/01/32/353580132.db2.gz QJJQMZWVURYJJL-NEPJUHHUSA-N 2 1 282.388 -0.687 20 0 CBADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000354721022 353580210 /nfs/dbraw/zinc/58/02/10/353580210.db2.gz YDOLHFBTJIXITA-STQMWFEESA-N 2 1 294.399 -0.449 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000355129687 353586705 /nfs/dbraw/zinc/58/67/05/353586705.db2.gz IUZQVINBPTVUTE-NSHDSACASA-N 2 1 282.388 -0.641 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(=O)n(C)c1=O ZINC000357110590 353601783 /nfs/dbraw/zinc/60/17/83/353601783.db2.gz ZVPACDWUJROFBP-QWRGUYRKSA-N 2 1 278.356 -0.875 20 0 CBADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H](C(N)=O)O1 ZINC000359200738 353652589 /nfs/dbraw/zinc/65/25/89/353652589.db2.gz GXJRCDWQWQJJHN-ZYHUDNBSSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@@H+](CC(=O)NC[C@@]1(O)CC[NH+](C)C1)C1CC1 ZINC000358058825 353623436 /nfs/dbraw/zinc/62/34/36/353623436.db2.gz RABRVXIYHLWWIQ-ZDUSSCGKSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+](CC(=O)NC[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000358058825 353623440 /nfs/dbraw/zinc/62/34/40/353623440.db2.gz RABRVXIYHLWWIQ-ZDUSSCGKSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+](CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000358058825 353623443 /nfs/dbraw/zinc/62/34/43/353623443.db2.gz RABRVXIYHLWWIQ-ZDUSSCGKSA-N 2 1 255.362 -0.347 20 0 CBADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358075592 353625692 /nfs/dbraw/zinc/62/56/92/353625692.db2.gz UBQNZINXUSVMJU-CQSZACIVSA-N 2 1 278.356 -0.056 20 0 CBADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358075592 353625693 /nfs/dbraw/zinc/62/56/93/353625693.db2.gz UBQNZINXUSVMJU-CQSZACIVSA-N 2 1 278.356 -0.056 20 0 CBADMP COC(=O)c1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c[nH]1 ZINC000358152640 353629556 /nfs/dbraw/zinc/62/95/56/353629556.db2.gz CSSKEIKZSAEBJZ-CYBMUJFWSA-N 2 1 267.329 -0.043 20 0 CBADMP COC(=O)c1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c[nH]1 ZINC000358152640 353629558 /nfs/dbraw/zinc/62/95/58/353629558.db2.gz CSSKEIKZSAEBJZ-CYBMUJFWSA-N 2 1 267.329 -0.043 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000358491421 353647508 /nfs/dbraw/zinc/64/75/08/353647508.db2.gz FDUKCHZTZRWSFQ-NWDGAFQWSA-N 2 1 272.393 -0.356 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000358505693 353648123 /nfs/dbraw/zinc/64/81/23/353648123.db2.gz SKRGZTGLIQYHNA-LBPRGKRZSA-N 2 1 272.393 -0.090 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000358505692 353648298 /nfs/dbraw/zinc/64/82/98/353648298.db2.gz SKRGZTGLIQYHNA-GFCCVEGCSA-N 2 1 272.393 -0.090 20 0 CBADMP C[C@H](C[NH+](C)C)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358504450 353648402 /nfs/dbraw/zinc/64/84/02/353648402.db2.gz ROESMUNFMNSARP-ZYHUDNBSSA-N 2 1 258.366 -0.698 20 0 CBADMP C[C@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCCC[NH2+]1 ZINC000357811238 353608004 /nfs/dbraw/zinc/60/80/04/353608004.db2.gz TVWUINHQEDFEHD-SWLSCSKDSA-N 2 1 296.415 -0.025 20 0 CBADMP CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000357900143 353613072 /nfs/dbraw/zinc/61/30/72/353613072.db2.gz BALMCPJXMAADGJ-WOPDTQHZSA-N 2 1 253.346 -0.596 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357916942 353614157 /nfs/dbraw/zinc/61/41/57/353614157.db2.gz IGHLPHANNUMEDP-YUSALJHKSA-N 2 1 266.345 -0.333 20 0 CBADMP Cc1cccc(NCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)[nH+]1 ZINC000357930600 353615609 /nfs/dbraw/zinc/61/56/09/353615609.db2.gz OLXHFESIPCBIGH-MNOVXSKESA-N 2 1 264.329 -0.359 20 0 CBADMP CC1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358049653 353620845 /nfs/dbraw/zinc/62/08/45/353620845.db2.gz OWGMJVPYPOWZAX-AWEZNQCLSA-N 2 1 269.389 -0.099 20 0 CBADMP O[C@@H]1COC[C@@H]1[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000361301485 353660732 /nfs/dbraw/zinc/66/07/32/353660732.db2.gz WYRUTDUEDLUBAY-MELADBBJSA-N 2 1 270.373 -0.210 20 0 CBADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000364288657 353670987 /nfs/dbraw/zinc/67/09/87/353670987.db2.gz GMNMATLCPKTURO-CHWSQXEVSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000364288658 353671389 /nfs/dbraw/zinc/67/13/89/353671389.db2.gz GMNMATLCPKTURO-OLZOCXBDSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000364288860 353671465 /nfs/dbraw/zinc/67/14/65/353671465.db2.gz GMNMATLCPKTURO-STQMWFEESA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)C1 ZINC000364574228 353672292 /nfs/dbraw/zinc/67/22/92/353672292.db2.gz DAMASJPHFPUNOE-UONOGXRCSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)C1C[NH2+]C1 ZINC000365047195 353673039 /nfs/dbraw/zinc/67/30/39/353673039.db2.gz XRKWDQFXIXANFW-JSGCOSHPSA-N 2 1 296.415 -0.931 20 0 CBADMP C[C@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)C1C[NH2+]C1 ZINC000365047195 353673040 /nfs/dbraw/zinc/67/30/40/353673040.db2.gz XRKWDQFXIXANFW-JSGCOSHPSA-N 2 1 296.415 -0.931 20 0 CBADMP C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)C1C[NH2+]C1 ZINC000365047195 353673042 /nfs/dbraw/zinc/67/30/42/353673042.db2.gz XRKWDQFXIXANFW-JSGCOSHPSA-N 2 1 296.415 -0.931 20 0 CBADMP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)C1C[NH2+]C1 ZINC000365047195 353673044 /nfs/dbraw/zinc/67/30/44/353673044.db2.gz XRKWDQFXIXANFW-JSGCOSHPSA-N 2 1 296.415 -0.931 20 0 CBADMP C[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000370772015 353691724 /nfs/dbraw/zinc/69/17/24/353691724.db2.gz JCPRZSZGSWHTDS-OCCSQVGLSA-N 2 1 286.395 -0.312 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)C1 ZINC000373624213 353734153 /nfs/dbraw/zinc/73/41/53/353734153.db2.gz QGRMCRXLMPPKLI-SDDRHHMPSA-N 2 1 271.361 -0.800 20 0 CBADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)C1 ZINC000372098830 353710340 /nfs/dbraw/zinc/71/03/40/353710340.db2.gz OCMHNCVGVUBKMU-KGLIPLIRSA-N 2 1 296.415 -0.787 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)C1 ZINC000372098830 353710342 /nfs/dbraw/zinc/71/03/42/353710342.db2.gz OCMHNCVGVUBKMU-KGLIPLIRSA-N 2 1 296.415 -0.787 20 0 CBADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)C1 ZINC000372098829 353710387 /nfs/dbraw/zinc/71/03/87/353710387.db2.gz OCMHNCVGVUBKMU-KBPBESRZSA-N 2 1 296.415 -0.787 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)C1 ZINC000372098829 353710390 /nfs/dbraw/zinc/71/03/90/353710390.db2.gz OCMHNCVGVUBKMU-KBPBESRZSA-N 2 1 296.415 -0.787 20 0 CBADMP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000372884238 353723760 /nfs/dbraw/zinc/72/37/60/353723760.db2.gz FUUOQJCWWUHUNX-SDDRHHMPSA-N 2 1 253.346 -0.594 20 0 CBADMP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000372884238 353723763 /nfs/dbraw/zinc/72/37/63/353723763.db2.gz FUUOQJCWWUHUNX-SDDRHHMPSA-N 2 1 253.346 -0.594 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@H]3CCOC(=O)[C@@H]32)CC1 ZINC000375888821 353769375 /nfs/dbraw/zinc/76/93/75/353769375.db2.gz IBNSBNOZCPOOEN-GXTWGEPZSA-N 2 1 295.383 -0.212 20 0 CBADMP CN1CCN(C(=O)CCN2CC[C@H]3CCOC(=O)[C@@H]32)CC1 ZINC000375888821 353769376 /nfs/dbraw/zinc/76/93/76/353769376.db2.gz IBNSBNOZCPOOEN-GXTWGEPZSA-N 2 1 295.383 -0.212 20 0 CBADMP CNS(=O)(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000375898838 353769409 /nfs/dbraw/zinc/76/94/09/353769409.db2.gz YHWOPFJODBXKKK-QJPTWQEYSA-N 2 1 275.418 -0.002 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000375898838 353769413 /nfs/dbraw/zinc/76/94/13/353769413.db2.gz YHWOPFJODBXKKK-QJPTWQEYSA-N 2 1 275.418 -0.002 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000375975572 353770674 /nfs/dbraw/zinc/77/06/74/353770674.db2.gz ROICQMRQQYKBCG-ZMLRMANQSA-N 2 1 253.346 -0.426 20 0 CBADMP O=S(=O)(C[C@H]1CNCCO1)N1CCN(C2CC2)CC1 ZINC000382339051 353784374 /nfs/dbraw/zinc/78/43/74/353784374.db2.gz XQMYAVVPJCHCCK-GFCCVEGCSA-N 2 1 289.401 -0.915 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)O1 ZINC000374519085 353746427 /nfs/dbraw/zinc/74/64/27/353746427.db2.gz IWZGXMMTSFMZKA-SYQHCUMBSA-N 2 1 297.399 -0.450 20 0 CBADMP C[NH+]1CCC([NH2+][C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000400171229 353799709 /nfs/dbraw/zinc/79/97/09/353799709.db2.gz KQEKBDYWEOXOSD-NSHDSACASA-N 2 1 261.391 -0.296 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)C(C)(C)C1 ZINC000388872644 353790631 /nfs/dbraw/zinc/79/06/31/353790631.db2.gz RLFBTDJQRODPCJ-CYBMUJFWSA-N 2 1 273.421 -0.049 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+](C)C(C)(C)C1 ZINC000388872644 353790632 /nfs/dbraw/zinc/79/06/32/353790632.db2.gz RLFBTDJQRODPCJ-CYBMUJFWSA-N 2 1 273.421 -0.049 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000388872644 353790634 /nfs/dbraw/zinc/79/06/34/353790634.db2.gz RLFBTDJQRODPCJ-CYBMUJFWSA-N 2 1 273.421 -0.049 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000410474230 353929103 /nfs/dbraw/zinc/92/91/03/353929103.db2.gz KRSRLKBHBUIXBT-LBPRGKRZSA-N 2 1 284.404 -0.441 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000410497551 353930545 /nfs/dbraw/zinc/93/05/45/353930545.db2.gz KAUKPPJXYJCOGF-CYBMUJFWSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000411028041 353939400 /nfs/dbraw/zinc/93/94/00/353939400.db2.gz PBOFVZZFFVBLNE-CYBMUJFWSA-N 2 1 298.431 -0.053 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000418395415 353996749 /nfs/dbraw/zinc/99/67/49/353996749.db2.gz SOTJZZCQCHSKNF-RWMBFGLXSA-N 2 1 286.420 -0.062 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)N[C@@H]1CCC[NH2+]C1 ZINC000416806898 353973082 /nfs/dbraw/zinc/97/30/82/353973082.db2.gz ZZWXDGLCFTZNQP-GFCCVEGCSA-N 2 1 270.377 -0.240 20 0 CBADMP CN(C(=O)NCCC[NH+]1CCOCC1)C1CC([NH3+])C1 ZINC000416789990 353973228 /nfs/dbraw/zinc/97/32/28/353973228.db2.gz LRFIBRHLDPOCFQ-UHFFFAOYSA-N 2 1 270.377 -0.160 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000418395417 353997124 /nfs/dbraw/zinc/99/71/24/353997124.db2.gz SOTJZZCQCHSKNF-YNEHKIRRSA-N 2 1 286.420 -0.062 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)NCCC[N@@H+](C)CCOC ZINC000417095625 353976338 /nfs/dbraw/zinc/97/63/38/353976338.db2.gz UJIPHNQSROAFHY-LLVKDONJSA-N 2 1 260.382 -0.009 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000417275181 353976515 /nfs/dbraw/zinc/97/65/15/353976515.db2.gz BDRFSOSJOJBLTA-MRVPVSSYSA-N 2 1 250.293 -0.026 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000417275181 353976517 /nfs/dbraw/zinc/97/65/17/353976517.db2.gz BDRFSOSJOJBLTA-MRVPVSSYSA-N 2 1 250.293 -0.026 20 0 CBADMP CCC([NH3+])(CC)CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000418426150 353997173 /nfs/dbraw/zinc/99/71/73/353997173.db2.gz LPPRBSYQHSAPPR-CYBMUJFWSA-N 2 1 272.393 -0.130 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417442907 353977245 /nfs/dbraw/zinc/97/72/45/353977245.db2.gz WONWVULAMULHEQ-OLZOCXBDSA-N 2 1 284.404 -0.185 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000417449404 353977368 /nfs/dbraw/zinc/97/73/68/353977368.db2.gz XWTLEEWAHSGQFG-GFCCVEGCSA-N 2 1 272.393 -0.137 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417439657 353977981 /nfs/dbraw/zinc/97/79/81/353977981.db2.gz MMAWOZKCMUQOQR-LLVKDONJSA-N 2 1 258.366 -0.399 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000417443825 353978000 /nfs/dbraw/zinc/97/80/00/353978000.db2.gz AZZZUQNESUFRJH-VXGBXAGGSA-N 2 1 272.393 -0.057 20 0 CBADMP C[N@@H+](CCNC(=O)N(CC[NH3+])CCO)C1CCCC1 ZINC000417506243 353978795 /nfs/dbraw/zinc/97/87/95/353978795.db2.gz LIRZNKJUYZLJGV-UHFFFAOYSA-N 2 1 272.393 -0.177 20 0 CBADMP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000418424170 353997265 /nfs/dbraw/zinc/99/72/65/353997265.db2.gz GMVDICQPUOXXAU-AAEUAGOBSA-N 2 1 272.393 -0.274 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)C[NH3+] ZINC000417567431 353979862 /nfs/dbraw/zinc/97/98/62/353979862.db2.gz NNUVYHRGZBXABY-MNOVXSKESA-N 2 1 258.366 -0.256 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N(C)C2CC([NH3+])C2)C1 ZINC000417698136 353980586 /nfs/dbraw/zinc/98/05/86/353980586.db2.gz DKVYIOQZSGWZGJ-CXQJBGSLSA-N 2 1 270.377 -0.162 20 0 CBADMP COCC[NH2+]CCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000417674892 353980673 /nfs/dbraw/zinc/98/06/73/353980673.db2.gz BAQTVZHXGSHOJA-NSHDSACASA-N 2 1 270.377 -0.242 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417612922 353981098 /nfs/dbraw/zinc/98/10/98/353981098.db2.gz RULIHWQWHJOWEE-CYBMUJFWSA-N 2 1 285.436 -0.079 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000417713630 353982170 /nfs/dbraw/zinc/98/21/70/353982170.db2.gz GRMBXTPHLWXAEX-VXGBXAGGSA-N 2 1 272.393 -0.009 20 0 CBADMP C[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])C[NH+]1CCOCC1 ZINC000417728417 353982359 /nfs/dbraw/zinc/98/23/59/353982359.db2.gz PJAUSMBDUKKELC-IJLUTSLNSA-N 2 1 272.393 -0.010 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417744955 353982910 /nfs/dbraw/zinc/98/29/10/353982910.db2.gz DPPBWCIMHHIASD-NSHDSACASA-N 2 1 260.382 -0.057 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417760368 353983460 /nfs/dbraw/zinc/98/34/60/353983460.db2.gz XRTAVWSYESWWCH-NSHDSACASA-N 2 1 258.366 -0.384 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418350036 353993787 /nfs/dbraw/zinc/99/37/87/353993787.db2.gz QOPPQRUOHUQONI-CYBMUJFWSA-N 2 1 286.420 -0.011 20 0 CBADMP CC[NH2+]CCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000418321240 353993868 /nfs/dbraw/zinc/99/38/68/353993868.db2.gz YCXAVPCSYROYQY-GFCCVEGCSA-N 2 1 272.393 -0.258 20 0 CBADMP C[NH2+]CCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000418326070 353994161 /nfs/dbraw/zinc/99/41/61/353994161.db2.gz KLZHVTGCZQMRTI-NSHDSACASA-N 2 1 272.393 -0.308 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000418368107 353994626 /nfs/dbraw/zinc/99/46/26/353994626.db2.gz RFJYYVGDXLJIDO-YNEHKIRRSA-N 2 1 286.420 -0.062 20 0 CBADMP CC[C@@H](C(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1)[NH+](C)C ZINC000413911261 353960482 /nfs/dbraw/zinc/96/04/82/353960482.db2.gz YIWRQSYSTFZBDV-NEPJUHHUSA-N 2 1 285.388 -0.110 20 0 CBADMP CC[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1)[NH+](C)C ZINC000413911261 353960487 /nfs/dbraw/zinc/96/04/87/353960487.db2.gz YIWRQSYSTFZBDV-NEPJUHHUSA-N 2 1 285.388 -0.110 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000418407487 353996527 /nfs/dbraw/zinc/99/65/27/353996527.db2.gz FQAIXFDOARVYTE-SCRDCRAPSA-N 2 1 284.404 -0.130 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000418397810 353996537 /nfs/dbraw/zinc/99/65/37/353996537.db2.gz JYMVDCJBTWJLFU-GFCCVEGCSA-N 2 1 270.377 -0.303 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CC[N@H+](C)C1 ZINC000413924027 353961078 /nfs/dbraw/zinc/96/10/78/353961078.db2.gz RWCSUOABHOWTOX-NWDGAFQWSA-N 2 1 283.372 -0.356 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CC[N@@H+](C)C1 ZINC000413924027 353961080 /nfs/dbraw/zinc/96/10/80/353961080.db2.gz RWCSUOABHOWTOX-NWDGAFQWSA-N 2 1 283.372 -0.356 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC[NH+](C)C1 ZINC000413924027 353961083 /nfs/dbraw/zinc/96/10/83/353961083.db2.gz RWCSUOABHOWTOX-NWDGAFQWSA-N 2 1 283.372 -0.356 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC[NH+](C)C1 ZINC000413924027 353961085 /nfs/dbraw/zinc/96/10/85/353961085.db2.gz RWCSUOABHOWTOX-NWDGAFQWSA-N 2 1 283.372 -0.356 20 0 CBADMP CCN1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@H](C)C1=O ZINC000414743807 353963167 /nfs/dbraw/zinc/96/31/67/353963167.db2.gz PAVZEAOSJUNLBS-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN1CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@H](C)C1=O ZINC000414743807 353963169 /nfs/dbraw/zinc/96/31/69/353963169.db2.gz PAVZEAOSJUNLBS-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419229585 354039648 /nfs/dbraw/zinc/03/96/48/354039648.db2.gz OXBRERUBSLXBHW-CYBMUJFWSA-N 2 1 296.415 -0.216 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000419226794 354039663 /nfs/dbraw/zinc/03/96/63/354039663.db2.gz RIZHTRDMYOTZRX-ZDUSSCGKSA-N 2 1 294.399 -0.296 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)[C@@H](C)C1 ZINC000418495450 353998725 /nfs/dbraw/zinc/99/87/25/353998725.db2.gz GAOPEVYEHKDTFZ-GMXVVIOVSA-N 2 1 284.404 -0.180 20 0 CBADMP CC[N@H+]1CCCN(C(=O)NCC[NH2+]CCOC)CC1 ZINC000418497997 353999092 /nfs/dbraw/zinc/99/90/92/353999092.db2.gz LCGPYHWOCAXFCP-UHFFFAOYSA-N 2 1 272.393 -0.040 20 0 CBADMP CCC[NH2+]CCNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000418489032 353999341 /nfs/dbraw/zinc/99/93/41/353999341.db2.gz MSUBROWIDAWFTL-GFCCVEGCSA-N 2 1 272.393 -0.306 20 0 CBADMP CCC[NH2+]CCNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000418489032 353999345 /nfs/dbraw/zinc/99/93/45/353999345.db2.gz MSUBROWIDAWFTL-GFCCVEGCSA-N 2 1 272.393 -0.306 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000418506099 353999832 /nfs/dbraw/zinc/99/98/32/353999832.db2.gz FQJJRMUEHWIESE-NSHDSACASA-N 2 1 270.377 -0.424 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000418614686 354004664 /nfs/dbraw/zinc/00/46/64/354004664.db2.gz GIMGLLWQKOLZOQ-GXTWGEPZSA-N 2 1 284.404 -0.130 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[N@H+]2CCC[C@H]2C1 ZINC000418675311 354005278 /nfs/dbraw/zinc/00/52/78/354005278.db2.gz RKBWKDWONXYYQH-NNYUYHANSA-N 2 1 250.346 -0.306 20 0 CBADMP CC[NH+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000418758251 354007334 /nfs/dbraw/zinc/00/73/34/354007334.db2.gz FJDGSFFXNIAUKE-NSHDSACASA-N 2 1 256.350 -0.678 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000418777524 354008777 /nfs/dbraw/zinc/00/87/77/354008777.db2.gz YNWXUDUNYZHFFT-OLZOCXBDSA-N 2 1 284.404 -0.044 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000418984077 354019584 /nfs/dbraw/zinc/01/95/84/354019584.db2.gz KVQJWDYXOVCQEX-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000419029771 354025320 /nfs/dbraw/zinc/02/53/20/354025320.db2.gz SCFZYEXOAMEPKC-IJLUTSLNSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419032403 354025381 /nfs/dbraw/zinc/02/53/81/354025381.db2.gz WMQLSZWONGXIHN-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)CC[NH3+] ZINC000419079958 354027373 /nfs/dbraw/zinc/02/73/73/354027373.db2.gz NXKZOLMPBLIURZ-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000419096140 354028676 /nfs/dbraw/zinc/02/86/76/354028676.db2.gz DJBMASPKTVZZRX-NEPJUHHUSA-N 2 1 294.399 -0.450 20 0 CBADMP CCCN(C(=O)C(=O)NCC[N@@H+](C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000419113946 354029628 /nfs/dbraw/zinc/02/96/28/354029628.db2.gz WTMVVRGVPDTHEG-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000419159537 354033922 /nfs/dbraw/zinc/03/39/22/354033922.db2.gz ZMGXTVSELLONTN-NSHDSACASA-N 2 1 296.415 -0.027 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000419216920 354037588 /nfs/dbraw/zinc/03/75/88/354037588.db2.gz CJXOCVJYOVXVKI-UHFFFAOYSA-N 2 1 282.388 -0.520 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000419223348 354038225 /nfs/dbraw/zinc/03/82/25/354038225.db2.gz MHDKFGMSBLXRNU-ZDUSSCGKSA-N 2 1 294.399 -0.296 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000419222944 354038488 /nfs/dbraw/zinc/03/84/88/354038488.db2.gz LMTCTEBJFABPIR-QWHCGFSZSA-N 2 1 294.399 -0.440 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000419878667 354087804 /nfs/dbraw/zinc/08/78/04/354087804.db2.gz SJFWBAVKYWAECJ-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[N@@H+](C)C1CC1 ZINC000419575833 354062555 /nfs/dbraw/zinc/06/25/55/354062555.db2.gz BIBDOZGCVAPNHK-SKDRFNHKSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])[N@@H+](C)C1CC1 ZINC000419579906 354063288 /nfs/dbraw/zinc/06/32/88/354063288.db2.gz GZEZLVWFJAPUSC-VIFPVBQESA-N 2 1 270.377 -0.561 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419580437 354063373 /nfs/dbraw/zinc/06/33/73/354063373.db2.gz HKQSXKPRLKACGP-OLZOCXBDSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419583977 354064150 /nfs/dbraw/zinc/06/41/50/354064150.db2.gz KUJCEOURJARHRE-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419587174 354065015 /nfs/dbraw/zinc/06/50/15/354065015.db2.gz NMKOPTHZAWGCKI-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419596377 354065045 /nfs/dbraw/zinc/06/50/45/354065045.db2.gz YADWEWAPNASUBV-STQMWFEESA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000419594221 354065083 /nfs/dbraw/zinc/06/50/83/354065083.db2.gz UNRBEROGFKKYCA-QWRGUYRKSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000419587180 354065121 /nfs/dbraw/zinc/06/51/21/354065121.db2.gz NNDAUNXSFWZVJU-JTQLQIEISA-N 2 1 268.361 -0.983 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH2+]C ZINC000419587025 354065373 /nfs/dbraw/zinc/06/53/73/354065373.db2.gz NDWLIVAMVQUVPU-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000419594765 354065658 /nfs/dbraw/zinc/06/56/58/354065658.db2.gz VGYBAVNELRRGGM-SDDRHHMPSA-N 2 1 294.399 -0.737 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419697460 354069757 /nfs/dbraw/zinc/06/97/57/354069757.db2.gz QRVYOISSEHWVQX-NWDGAFQWSA-N 2 1 294.399 -0.402 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419692795 354070364 /nfs/dbraw/zinc/07/03/64/354070364.db2.gz HLEZWZKZQZUNAD-NSHDSACASA-N 2 1 284.404 -0.170 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419874072 354088162 /nfs/dbraw/zinc/08/81/62/354088162.db2.gz VTYOVNXIVBLYMH-LBPRGKRZSA-N 2 1 282.388 -0.608 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419766548 354075592 /nfs/dbraw/zinc/07/55/92/354075592.db2.gz RMTGJLSAXUNMAS-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419763139 354075697 /nfs/dbraw/zinc/07/56/97/354075697.db2.gz NEHFBOLTFWCFTH-LBPRGKRZSA-N 2 1 284.404 -0.312 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419766146 354075772 /nfs/dbraw/zinc/07/57/72/354075772.db2.gz RAGDHZBFFVZGLF-GFCCVEGCSA-N 2 1 286.420 -0.066 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419765193 354075813 /nfs/dbraw/zinc/07/58/13/354075813.db2.gz QCCYUKISHUFXHV-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419770359 354076386 /nfs/dbraw/zinc/07/63/86/354076386.db2.gz WWIKEQQORRPBSR-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419769841 354076520 /nfs/dbraw/zinc/07/65/20/354076520.db2.gz WFPAWDBKFQHHPV-UHFFFAOYSA-N 2 1 296.415 -0.130 20 0 CBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCCC[NH3+] ZINC000419831121 354081228 /nfs/dbraw/zinc/08/12/28/354081228.db2.gz LITWJYBNGDMBOC-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419836374 354082387 /nfs/dbraw/zinc/08/23/87/354082387.db2.gz BMNXUVMQRHSYGL-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC[NH2+]1 ZINC000419836262 354082517 /nfs/dbraw/zinc/08/25/17/354082517.db2.gz VMSPQGRKRBVGKP-AVGNSLFASA-N 2 1 294.399 -0.450 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419841722 354083363 /nfs/dbraw/zinc/08/33/63/354083363.db2.gz ACWBLQMVRLVNDX-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000419846512 354083855 /nfs/dbraw/zinc/08/38/55/354083855.db2.gz QBDSWSHBWFEGTC-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419851433 354085093 /nfs/dbraw/zinc/08/50/93/354085093.db2.gz IWLFQHMZXVCDAD-ZDUSSCGKSA-N 2 1 296.415 -0.155 20 0 CBADMP [NH3+][C@@H](CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000419854885 354085750 /nfs/dbraw/zinc/08/57/50/354085750.db2.gz CAJKJJCSOIBTAW-ZDUSSCGKSA-N 2 1 294.399 -0.606 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419865018 354086069 /nfs/dbraw/zinc/08/60/69/354086069.db2.gz PBMCAAUHSKCSGW-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419861718 354086551 /nfs/dbraw/zinc/08/65/51/354086551.db2.gz MIONEGYMQDDNKF-LBPRGKRZSA-N 2 1 282.388 -0.606 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419293035 354044163 /nfs/dbraw/zinc/04/41/63/354044163.db2.gz ZWWUBCBHIAGENS-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419291807 354044700 /nfs/dbraw/zinc/04/47/00/354044700.db2.gz XOAJKPKKQNZXPB-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000419316100 354045560 /nfs/dbraw/zinc/04/55/60/354045560.db2.gz KTBXANSCTJLDIR-WDEREUQCSA-N 2 1 280.372 -0.840 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000419316097 354045616 /nfs/dbraw/zinc/04/56/16/354045616.db2.gz KTBXANSCTJLDIR-GHMZBOCLSA-N 2 1 280.372 -0.840 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419311121 354045725 /nfs/dbraw/zinc/04/57/25/354045725.db2.gz BCXSUIHXDHHMMA-WQAKAFBOSA-N 2 1 294.399 -0.561 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C[N@H+]1C1CC1 ZINC000419316926 354045916 /nfs/dbraw/zinc/04/59/16/354045916.db2.gz MJDWSOAKMJBNEO-IRUJWGPZSA-N 2 1 294.399 -0.419 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000419316848 354046014 /nfs/dbraw/zinc/04/60/14/354046014.db2.gz LXEHMBMZEJJGSG-NWDGAFQWSA-N 2 1 296.415 -0.156 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000419341349 354046862 /nfs/dbraw/zinc/04/68/62/354046862.db2.gz YLVLSVPHWYSYLU-AAEUAGOBSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000419340844 354046906 /nfs/dbraw/zinc/04/69/06/354046906.db2.gz XOBYDFUOIPDBHC-CYZMBNFOSA-N 2 1 296.415 -0.315 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000419340845 354047581 /nfs/dbraw/zinc/04/75/81/354047581.db2.gz XOBYDFUOIPDBHC-RAIGVLPGSA-N 2 1 296.415 -0.315 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000419407987 354052530 /nfs/dbraw/zinc/05/25/30/354052530.db2.gz LDZMQPQSKFHWIH-LLVKDONJSA-N 2 1 298.412 -0.197 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419419088 354053541 /nfs/dbraw/zinc/05/35/41/354053541.db2.gz YVRZDFDOABPREJ-QWHCGFSZSA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419415203 354053780 /nfs/dbraw/zinc/05/37/80/354053780.db2.gz UWVHNXZSZYVUNN-NEPJUHHUSA-N 2 1 284.404 -0.455 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)CC[NH3+])C1CC1 ZINC000419501126 354056878 /nfs/dbraw/zinc/05/68/78/354056878.db2.gz ASAMSSAXOWBLBX-SNVBAGLBSA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)[NH3+])C1CC1 ZINC000419520222 354057118 /nfs/dbraw/zinc/05/71/18/354057118.db2.gz HENBYFFJTLZXKM-UHFFFAOYSA-N 2 1 270.377 -0.560 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419520923 354057655 /nfs/dbraw/zinc/05/76/55/354057655.db2.gz IWBQOZPQTWZMEG-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)C1CC1 ZINC000419526494 354058053 /nfs/dbraw/zinc/05/80/53/354058053.db2.gz TYBXUERSPJXXQZ-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419524915 354058223 /nfs/dbraw/zinc/05/82/23/354058223.db2.gz QOOUDQLKLBAORZ-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419526144 354058490 /nfs/dbraw/zinc/05/84/90/354058490.db2.gz SOLLZZAGGNCAIG-ZJUUUORDSA-N 2 1 258.366 -0.704 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419527012 354058524 /nfs/dbraw/zinc/05/85/24/354058524.db2.gz URIARJDIFFLSSE-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1)C1CC1 ZINC000419524515 354058753 /nfs/dbraw/zinc/05/87/53/354058753.db2.gz PXJBHOHSFVXLHY-JTQLQIEISA-N 2 1 268.361 -0.854 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419526354 354058791 /nfs/dbraw/zinc/05/87/91/354058791.db2.gz STNRKFGXZFICAX-AVGNSLFASA-N 2 1 298.431 -0.053 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000419543211 354059843 /nfs/dbraw/zinc/05/98/43/354059843.db2.gz GAVMAUSIXHUXIL-GRYCIOLGSA-N 2 1 284.404 -0.301 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000419877488 354087708 /nfs/dbraw/zinc/08/77/08/354087708.db2.gz QXOKHLRUXJIFAY-UHFFFAOYSA-N 2 1 268.361 -0.981 20 0 CBADMP 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 354061119 /nfs/dbraw/zinc/06/11/19/354061119.db2.gz SDIJXRQLGMXKDI-MROQNXINSA-N 2 1 296.415 -0.206 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419561421 354061199 /nfs/dbraw/zinc/06/11/99/354061199.db2.gz SJSUVALIUJGZRR-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419554680 354061497 /nfs/dbraw/zinc/06/14/97/354061497.db2.gz ICLKTGHIIQVXRG-IJLUTSLNSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C[C@@H]1C ZINC000419880755 354089142 /nfs/dbraw/zinc/08/91/42/354089142.db2.gz ALHJQGYAZWLASY-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C[C@@H]1C ZINC000419880755 354089146 /nfs/dbraw/zinc/08/91/46/354089146.db2.gz ALHJQGYAZWLASY-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419883835 354089891 /nfs/dbraw/zinc/08/98/91/354089891.db2.gz FADSLASLKPYDKN-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000419914785 354093303 /nfs/dbraw/zinc/09/33/03/354093303.db2.gz CGXJHERFTIOPHM-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419937173 354094641 /nfs/dbraw/zinc/09/46/41/354094641.db2.gz MMORDWMPFRHXMU-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000419945375 354095358 /nfs/dbraw/zinc/09/53/58/354095358.db2.gz JWOOOAVXJYOYPZ-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)C[C@@H]1C ZINC000419974533 354099187 /nfs/dbraw/zinc/09/91/87/354099187.db2.gz JPQKQSZHYJZEFB-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)C[C@@H]1C ZINC000419974533 354099190 /nfs/dbraw/zinc/09/91/90/354099190.db2.gz JPQKQSZHYJZEFB-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000419974538 354099212 /nfs/dbraw/zinc/09/92/12/354099212.db2.gz JPWBYUMABXRXNM-AVGNSLFASA-N 2 1 298.431 -0.197 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000419979685 354099537 /nfs/dbraw/zinc/09/95/37/354099537.db2.gz PWBOKMAISYKPTL-CHWSQXEVSA-N 2 1 298.431 -0.243 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000419979685 354099540 /nfs/dbraw/zinc/09/95/40/354099540.db2.gz PWBOKMAISYKPTL-CHWSQXEVSA-N 2 1 298.431 -0.243 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000420020994 354103409 /nfs/dbraw/zinc/10/34/09/354103409.db2.gz GRGPEWNTXIFGKK-IJLUTSLNSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000420035470 354104040 /nfs/dbraw/zinc/10/40/40/354104040.db2.gz YTIMUTAQMWYWAL-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000420034684 354104271 /nfs/dbraw/zinc/10/42/71/354104271.db2.gz XUUOQITVLQLBSH-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420040490 354105075 /nfs/dbraw/zinc/10/50/75/354105075.db2.gz OXQSWGLBEXBZFI-NWDGAFQWSA-N 2 1 282.388 -0.560 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000420053349 354105383 /nfs/dbraw/zinc/10/53/83/354105383.db2.gz XNOIKAVTYIGODP-AGIUHOORSA-N 2 1 296.415 -0.217 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420058724 354106154 /nfs/dbraw/zinc/10/61/54/354106154.db2.gz OMBBQJGQQBEJME-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000420089186 354108524 /nfs/dbraw/zinc/10/85/24/354108524.db2.gz JLBOBSOSUFTGDS-GFCCVEGCSA-N 2 1 296.415 -0.075 20 0 CBADMP COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420295172 354121808 /nfs/dbraw/zinc/12/18/08/354121808.db2.gz PCVBTROOGQLNHR-NEPJUHHUSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420295172 354121811 /nfs/dbraw/zinc/12/18/11/354121811.db2.gz PCVBTROOGQLNHR-NEPJUHHUSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000420304611 354122048 /nfs/dbraw/zinc/12/20/48/354122048.db2.gz YIUVVRUQTBBZSY-LLVKDONJSA-N 2 1 271.361 -0.179 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000420304611 354122049 /nfs/dbraw/zinc/12/20/49/354122049.db2.gz YIUVVRUQTBBZSY-LLVKDONJSA-N 2 1 271.361 -0.179 20 0 CBADMP O=C1CNCCN1[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420309640 354123053 /nfs/dbraw/zinc/12/30/53/354123053.db2.gz OYEZOYFQLLKQBE-KBPBESRZSA-N 2 1 280.416 -0.118 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420317616 354123184 /nfs/dbraw/zinc/12/31/84/354123184.db2.gz ZQXVVDSGACSNAA-GHMZBOCLSA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420307275 354123218 /nfs/dbraw/zinc/12/32/18/354123218.db2.gz BVRCEBODVJAMPM-LLVKDONJSA-N 2 1 271.361 -0.131 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420307275 354123220 /nfs/dbraw/zinc/12/32/20/354123220.db2.gz BVRCEBODVJAMPM-LLVKDONJSA-N 2 1 271.361 -0.131 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000420343222 354124481 /nfs/dbraw/zinc/12/44/81/354124481.db2.gz YSIJQKZDQRTSGE-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP CNC(=O)NC(=O)CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420358245 354125436 /nfs/dbraw/zinc/12/54/36/354125436.db2.gz FELHGNYCCBISDW-FXPVBKGRSA-N 2 1 256.350 -0.192 20 0 CBADMP CC(C)C[C@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420353861 354125558 /nfs/dbraw/zinc/12/55/58/354125558.db2.gz CJPAIPKWJHIJBR-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420353861 354125562 /nfs/dbraw/zinc/12/55/62/354125562.db2.gz CJPAIPKWJHIJBR-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420358925 354125582 /nfs/dbraw/zinc/12/55/82/354125582.db2.gz JUXKVTHSYMRCGW-VXGBXAGGSA-N 2 1 283.372 -0.260 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420358925 354125585 /nfs/dbraw/zinc/12/55/85/354125585.db2.gz JUXKVTHSYMRCGW-VXGBXAGGSA-N 2 1 283.372 -0.260 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420393203 354126333 /nfs/dbraw/zinc/12/63/33/354126333.db2.gz BVYHVYKJJFHNEO-GHMZBOCLSA-N 2 1 263.407 -0.158 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420393203 354126334 /nfs/dbraw/zinc/12/63/34/354126334.db2.gz BVYHVYKJJFHNEO-GHMZBOCLSA-N 2 1 263.407 -0.158 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420398981 354126358 /nfs/dbraw/zinc/12/63/58/354126358.db2.gz HHVQUHWDNLEHDG-VXGBXAGGSA-N 2 1 285.388 -0.075 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000420398092 354126674 /nfs/dbraw/zinc/12/66/74/354126674.db2.gz YKIRHEBQXMPCLJ-KBPBESRZSA-N 2 1 298.431 -0.411 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000420384037 354127057 /nfs/dbraw/zinc/12/70/57/354127057.db2.gz TXFFJMBIZCEQNJ-AGIUHOORSA-N 2 1 268.405 -0.182 20 0 CBADMP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000423274293 354166631 /nfs/dbraw/zinc/16/66/31/354166631.db2.gz LUDWZGQOPGYTJY-LBPRGKRZSA-N 2 1 280.372 -0.887 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423294918 354166818 /nfs/dbraw/zinc/16/68/18/354166818.db2.gz VPVKRPWJFPGJFQ-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000423483650 354177845 /nfs/dbraw/zinc/17/78/45/354177845.db2.gz SRKHBBCMJLFLRE-NEPJUHHUSA-N 2 1 255.362 -0.051 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423358491 354170905 /nfs/dbraw/zinc/17/09/05/354170905.db2.gz NNPBVEQDKAEOPS-NWDGAFQWSA-N 2 1 282.388 -0.655 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423358491 354170908 /nfs/dbraw/zinc/17/09/08/354170908.db2.gz NNPBVEQDKAEOPS-NWDGAFQWSA-N 2 1 282.388 -0.655 20 0 CBADMP C[NH+](C)CCN1CCC(CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000423368311 354172674 /nfs/dbraw/zinc/17/26/74/354172674.db2.gz RVIWNERXPYTZQV-UHFFFAOYSA-N 2 1 282.432 -0.014 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@@H]1C ZINC000423381734 354173172 /nfs/dbraw/zinc/17/31/72/354173172.db2.gz IICYCUQYSRZSHF-FMSGJZPZSA-N 2 1 267.373 -0.348 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@@H]1C ZINC000423381734 354173179 /nfs/dbraw/zinc/17/31/79/354173179.db2.gz IICYCUQYSRZSHF-FMSGJZPZSA-N 2 1 267.373 -0.348 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H]1C ZINC000423381726 354173883 /nfs/dbraw/zinc/17/38/83/354173883.db2.gz IICYCUQYSRZSHF-BYNQJWBRSA-N 2 1 267.373 -0.348 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H]1C ZINC000423381726 354173885 /nfs/dbraw/zinc/17/38/85/354173885.db2.gz IICYCUQYSRZSHF-BYNQJWBRSA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000423390895 354174431 /nfs/dbraw/zinc/17/44/31/354174431.db2.gz WLGBYIFAFWIDRU-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000423390895 354174434 /nfs/dbraw/zinc/17/44/34/354174434.db2.gz WLGBYIFAFWIDRU-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)C1(C)C[NH2+]C1 ZINC000423445014 354176461 /nfs/dbraw/zinc/17/64/61/354176461.db2.gz YDQWFTNDLNHROK-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423446770 354176648 /nfs/dbraw/zinc/17/66/48/354176648.db2.gz ZBVWSQDURAZNFI-JTQLQIEISA-N 2 1 259.350 -0.275 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)C1 ZINC000422422746 354147342 /nfs/dbraw/zinc/14/73/42/354147342.db2.gz GNXMTYFKXKFFOS-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000422422746 354147345 /nfs/dbraw/zinc/14/73/45/354147345.db2.gz GNXMTYFKXKFFOS-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000422422746 354147350 /nfs/dbraw/zinc/14/73/50/354147350.db2.gz GNXMTYFKXKFFOS-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422714152 354151583 /nfs/dbraw/zinc/15/15/83/354151583.db2.gz KSJCYBFJVSZBKM-CHWSQXEVSA-N 3 1 268.405 -0.133 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000422837311 354155584 /nfs/dbraw/zinc/15/55/84/354155584.db2.gz LVXOQTFSTLYJTL-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000422837311 354155585 /nfs/dbraw/zinc/15/55/85/354155585.db2.gz LVXOQTFSTLYJTL-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000422837312 354155702 /nfs/dbraw/zinc/15/57/02/354155702.db2.gz LVXOQTFSTLYJTL-NWDGAFQWSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000422837312 354155707 /nfs/dbraw/zinc/15/57/07/354155707.db2.gz LVXOQTFSTLYJTL-NWDGAFQWSA-N 2 1 255.362 -0.084 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000422976086 354158519 /nfs/dbraw/zinc/15/85/19/354158519.db2.gz UOEAJAOOHOKFST-NEPJUHHUSA-N 2 1 282.388 -0.608 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000422976250 354159307 /nfs/dbraw/zinc/15/93/07/354159307.db2.gz UTNHDIFHVZDZES-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCS(=O)(=O)N1CC(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423055000 354161841 /nfs/dbraw/zinc/16/18/41/354161841.db2.gz CNTYMQZBJHXNEP-CMPLNLGQSA-N 2 1 275.418 -0.145 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423123415 354162262 /nfs/dbraw/zinc/16/22/62/354162262.db2.gz MPZXVGILFGMORS-LBPRGKRZSA-N 2 1 282.388 -0.782 20 0 CBADMP COCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000423511225 354178879 /nfs/dbraw/zinc/17/88/79/354178879.db2.gz KCIXOXNKFQGHNX-LBPRGKRZSA-N 2 1 273.377 -0.552 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423516923 354178913 /nfs/dbraw/zinc/17/89/13/354178913.db2.gz HHCPGLZRQIGKIU-NSHDSACASA-N 2 1 282.388 -0.511 20 0 CBADMP CN1CCN(C(=O)CC[N@@H+](C)[C@@]2(CO)CCOC2)CC1 ZINC000328678954 202008427 /nfs/dbraw/zinc/00/84/27/202008427.db2.gz MQQOSIYERZJIDH-CQSZACIVSA-N 2 1 285.388 -0.766 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@]1(CO)CCOC1 ZINC000328678954 202008430 /nfs/dbraw/zinc/00/84/30/202008430.db2.gz MQQOSIYERZJIDH-CQSZACIVSA-N 2 1 285.388 -0.766 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000423601828 354182664 /nfs/dbraw/zinc/18/26/64/354182664.db2.gz ZVTQLWCHAILRPE-JHJVBQTASA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])C[C@H](C)[N@H+]1C ZINC000423592695 354182682 /nfs/dbraw/zinc/18/26/82/354182682.db2.gz FFIBXCCRIVXRCX-TXEJJXNPSA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])C[C@H](C)[N@@H+]1C ZINC000423592695 354182687 /nfs/dbraw/zinc/18/26/87/354182687.db2.gz FFIBXCCRIVXRCX-TXEJJXNPSA-N 2 1 298.431 -0.019 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423615659 354184753 /nfs/dbraw/zinc/18/47/53/354184753.db2.gz ZBJBNPXZJQICMN-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C1 ZINC000423617144 354184931 /nfs/dbraw/zinc/18/49/31/354184931.db2.gz WZRBNPSWZDPOIF-GRYCIOLGSA-N 2 1 282.388 -0.642 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C1 ZINC000423617144 354184933 /nfs/dbraw/zinc/18/49/33/354184933.db2.gz WZRBNPSWZDPOIF-GRYCIOLGSA-N 2 1 282.388 -0.642 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000423611651 354185046 /nfs/dbraw/zinc/18/50/46/354185046.db2.gz SLRQSQKBLBUBOY-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)[C@@H](C)CN1 ZINC000423634290 354186770 /nfs/dbraw/zinc/18/67/70/354186770.db2.gz QMJJOZTUZNVHJG-XQHKEYJVSA-N 2 1 296.415 -0.254 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423629462 354187044 /nfs/dbraw/zinc/18/70/44/354187044.db2.gz XJEZBSABSHJBOW-CYBMUJFWSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423684524 354192238 /nfs/dbraw/zinc/19/22/38/354192238.db2.gz URBCMQCPHGPMQQ-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH2+]C)CC1 ZINC000423709023 354192607 /nfs/dbraw/zinc/19/26/07/354192607.db2.gz IBGQQTQAVISKHP-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423729360 354195084 /nfs/dbraw/zinc/19/50/84/354195084.db2.gz WWHSIZPFQZGKOT-LLVKDONJSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)C[C@@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000423756465 354197555 /nfs/dbraw/zinc/19/75/55/354197555.db2.gz BHSRSWXOJHDRTK-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000423766831 354198458 /nfs/dbraw/zinc/19/84/58/354198458.db2.gz CYHWWRZJDXRZBO-QJPTWQEYSA-N 2 1 257.378 -0.054 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000423807136 354200335 /nfs/dbraw/zinc/20/03/35/354200335.db2.gz VIWHEOCVSZTRNA-FRRDWIJNSA-N 2 1 269.389 -0.054 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)COC2C[NH2+]C2)[C@@H](C)C1 ZINC000423857477 354202378 /nfs/dbraw/zinc/20/23/78/354202378.db2.gz ANZXGLWIGHHMHI-NSHDSACASA-N 2 1 299.371 -0.929 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)COC2C[NH2+]C2)[C@@H](C)C1 ZINC000423857477 354202383 /nfs/dbraw/zinc/20/23/83/354202383.db2.gz ANZXGLWIGHHMHI-NSHDSACASA-N 2 1 299.371 -0.929 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C[NH3+])OC)C[C@H]1C ZINC000423877906 354203082 /nfs/dbraw/zinc/20/30/82/354203082.db2.gz DGNSSGZEVISWPN-MNOVXSKESA-N 2 1 287.360 -0.944 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C[NH3+])OC)C[C@H]1C ZINC000423877906 354203086 /nfs/dbraw/zinc/20/30/86/354203086.db2.gz DGNSSGZEVISWPN-MNOVXSKESA-N 2 1 287.360 -0.944 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C[NH3+])OC)[C@H](C)C1 ZINC000423865125 354203177 /nfs/dbraw/zinc/20/31/77/354203177.db2.gz ZZAKDPJFUYXLSB-MNOVXSKESA-N 2 1 287.360 -0.944 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C[NH3+])OC)[C@H](C)C1 ZINC000423865125 354203181 /nfs/dbraw/zinc/20/31/81/354203181.db2.gz ZZAKDPJFUYXLSB-MNOVXSKESA-N 2 1 287.360 -0.944 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423897004 354203830 /nfs/dbraw/zinc/20/38/30/354203830.db2.gz OHFRYOUWVAROMV-NWDGAFQWSA-N 2 1 285.388 -0.062 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423897004 354203834 /nfs/dbraw/zinc/20/38/34/354203834.db2.gz OHFRYOUWVAROMV-NWDGAFQWSA-N 2 1 285.388 -0.062 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@@H](C)[NH3+])C[C@H]1C ZINC000423885517 354203877 /nfs/dbraw/zinc/20/38/77/354203877.db2.gz DSYUPTHJFDOYJA-GHMZBOCLSA-N 2 1 271.361 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@@H](C)[NH3+])C[C@H]1C ZINC000423885517 354203880 /nfs/dbraw/zinc/20/38/80/354203880.db2.gz DSYUPTHJFDOYJA-GHMZBOCLSA-N 2 1 271.361 -0.181 20 0 CBADMP C[NH2+]CCC(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423892884 354204207 /nfs/dbraw/zinc/20/42/07/354204207.db2.gz KPMGWFHPTKBIIJ-LLVKDONJSA-N 2 1 271.361 -0.308 20 0 CBADMP C[NH2+]CCC(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423892884 354204211 /nfs/dbraw/zinc/20/42/11/354204211.db2.gz KPMGWFHPTKBIIJ-LLVKDONJSA-N 2 1 271.361 -0.308 20 0 CBADMP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424138182 354211215 /nfs/dbraw/zinc/21/12/15/354211215.db2.gz CYOUFDRCJQNCHF-NEPJUHHUSA-N 2 1 255.362 -0.097 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424160132 354212168 /nfs/dbraw/zinc/21/21/68/354212168.db2.gz WTJFSAMMRCYKKR-QMMMGPOBSA-N 2 1 288.302 -0.474 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)COC2C[NH2+]C2)C1 ZINC000430763924 354250945 /nfs/dbraw/zinc/25/09/45/354250945.db2.gz OZEYMPHHPNCUMH-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000431032843 354251684 /nfs/dbraw/zinc/25/16/84/354251684.db2.gz FBWGJPMIAHJGCB-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430950862 354251849 /nfs/dbraw/zinc/25/18/49/354251849.db2.gz JIVJRYHAORYHSP-AAEUAGOBSA-N 2 1 282.388 -0.654 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430950862 354251850 /nfs/dbraw/zinc/25/18/50/354251850.db2.gz JIVJRYHAORYHSP-AAEUAGOBSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH2+]CCCN1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000435885334 354254740 /nfs/dbraw/zinc/25/47/40/354254740.db2.gz IRLNKXGSXVZJSD-LBPRGKRZSA-N 2 1 254.378 -0.508 20 0 CBADMP C[NH2+]CCC[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000435885334 354254744 /nfs/dbraw/zinc/25/47/44/354254744.db2.gz IRLNKXGSXVZJSD-LBPRGKRZSA-N 2 1 254.378 -0.508 20 0 CBADMP C[NH2+]CCC[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000435885334 354254747 /nfs/dbraw/zinc/25/47/47/354254747.db2.gz IRLNKXGSXVZJSD-LBPRGKRZSA-N 2 1 254.378 -0.508 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444174533 354263085 /nfs/dbraw/zinc/26/30/85/354263085.db2.gz HDDRIJNSMANZCX-SLEUVZQESA-N 2 1 294.399 -0.558 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000424218081 354218852 /nfs/dbraw/zinc/21/88/52/354218852.db2.gz QKKJAKDNLQYJQY-LBPRGKRZSA-N 2 1 285.388 -0.456 20 0 CBADMP COC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCOCC1 ZINC000446820195 354291209 /nfs/dbraw/zinc/29/12/09/354291209.db2.gz ZNUWJPHTSYZVDT-QWHCGFSZSA-N 2 1 260.378 -0.060 20 0 CBADMP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+]2C[C@@H](CC)[C@H](O)C2)C[C@@H]1O ZINC000447298385 354295337 /nfs/dbraw/zinc/29/53/37/354295337.db2.gz GVLKIEJBSSIUIY-RYPNDVFKSA-N 2 1 286.416 -0.247 20 0 CBADMP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2C[C@@H](CC)[C@H](O)C2)C[C@@H]1O ZINC000447298385 354295340 /nfs/dbraw/zinc/29/53/40/354295340.db2.gz GVLKIEJBSSIUIY-RYPNDVFKSA-N 2 1 286.416 -0.247 20 0 CBADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+]2C[C@@H](CC)[C@H](O)C2)C[C@@H]1O ZINC000447298385 354295342 /nfs/dbraw/zinc/29/53/42/354295342.db2.gz GVLKIEJBSSIUIY-RYPNDVFKSA-N 2 1 286.416 -0.247 20 0 CBADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+]2C[C@@H](CC)[C@H](O)C2)C[C@@H]1O ZINC000447298385 354295344 /nfs/dbraw/zinc/29/53/44/354295344.db2.gz GVLKIEJBSSIUIY-RYPNDVFKSA-N 2 1 286.416 -0.247 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000447436578 354298914 /nfs/dbraw/zinc/29/89/14/354298914.db2.gz ADOBDMVSULDHMT-USWWRNFRSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449703047 354321755 /nfs/dbraw/zinc/32/17/55/354321755.db2.gz VOMQMMWYFGYWNY-FRRDWIJNSA-N 2 1 268.405 -0.121 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](C)C[NH3+])[C@@H](C)C1 ZINC000418510051 291026666 /nfs/dbraw/zinc/02/66/66/291026666.db2.gz BVJBJCQFFLWQSI-MNOVXSKESA-N 2 1 286.376 -0.388 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](C)C[NH3+])[C@@H](C)C1 ZINC000418510051 291026668 /nfs/dbraw/zinc/02/66/68/291026668.db2.gz BVJBJCQFFLWQSI-MNOVXSKESA-N 2 1 286.376 -0.388 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC000452981717 354354332 /nfs/dbraw/zinc/35/43/32/354354332.db2.gz AENNBQJTCPXGEC-YNEHKIRRSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC000452981717 354354335 /nfs/dbraw/zinc/35/43/35/354354335.db2.gz AENNBQJTCPXGEC-YNEHKIRRSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C1 ZINC000452981717 354354338 /nfs/dbraw/zinc/35/43/38/354354338.db2.gz AENNBQJTCPXGEC-YNEHKIRRSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C1 ZINC000452981717 354354340 /nfs/dbraw/zinc/35/43/40/354354340.db2.gz AENNBQJTCPXGEC-YNEHKIRRSA-N 2 1 267.373 -0.130 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H](C)[N@H+]1C ZINC000459902593 354392852 /nfs/dbraw/zinc/39/28/52/354392852.db2.gz VZRCKSYNLJWWAQ-TXEJJXNPSA-N 2 1 284.404 -0.443 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H](C)[N@@H+]1C ZINC000459902593 354392856 /nfs/dbraw/zinc/39/28/56/354392856.db2.gz VZRCKSYNLJWWAQ-TXEJJXNPSA-N 2 1 284.404 -0.443 20 0 CBADMP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000479247649 354407364 /nfs/dbraw/zinc/40/73/64/354407364.db2.gz FUUOQJCWWUHUNX-QJPTWQEYSA-N 2 1 253.346 -0.594 20 0 CBADMP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000479247649 354407367 /nfs/dbraw/zinc/40/73/67/354407367.db2.gz FUUOQJCWWUHUNX-QJPTWQEYSA-N 2 1 253.346 -0.594 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000487190240 354412958 /nfs/dbraw/zinc/41/29/58/354412958.db2.gz QXDUTYVQOIOGOG-NWDGAFQWSA-N 2 1 257.378 -0.386 20 0 CBADMP CC[NH+](CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487190240 354412959 /nfs/dbraw/zinc/41/29/59/354412959.db2.gz QXDUTYVQOIOGOG-NWDGAFQWSA-N 2 1 257.378 -0.386 20 0 CBADMP CC[NH+](CCO)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000487190240 354412960 /nfs/dbraw/zinc/41/29/60/354412960.db2.gz QXDUTYVQOIOGOG-NWDGAFQWSA-N 2 1 257.378 -0.386 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCOCC[NH+](C)C ZINC000487237214 354413023 /nfs/dbraw/zinc/41/30/23/354413023.db2.gz XWPBJUCBFSYDTH-NWDGAFQWSA-N 2 1 257.378 -0.122 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000492753639 354480273 /nfs/dbraw/zinc/48/02/73/354480273.db2.gz RUPYMGISKOSDES-RXNFCKPNSA-N 2 1 255.362 -0.371 20 0 CBADMP COC(=O)NCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000496128252 354533797 /nfs/dbraw/zinc/53/37/97/354533797.db2.gz YCRWGPDDYMWSLD-UHFFFAOYSA-N 2 1 287.364 -0.821 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CCCN1CCOC1=O)C1CC1 ZINC000496345078 354542987 /nfs/dbraw/zinc/54/29/87/354542987.db2.gz PFNGELYGMAJQCU-GFCCVEGCSA-N 2 1 271.361 -0.127 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CCCN1CCOC1=O)C1CC1 ZINC000496345078 354542991 /nfs/dbraw/zinc/54/29/91/354542991.db2.gz PFNGELYGMAJQCU-GFCCVEGCSA-N 2 1 271.361 -0.127 20 0 CBADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000535431337 354601918 /nfs/dbraw/zinc/60/19/18/354601918.db2.gz CPVZWFQVCDEWRN-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000535431337 354601919 /nfs/dbraw/zinc/60/19/19/354601919.db2.gz CPVZWFQVCDEWRN-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP COCC[NH+]1CCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000519532296 354561639 /nfs/dbraw/zinc/56/16/39/354561639.db2.gz QRYIESOQVLTGDT-UHFFFAOYSA-N 2 1 284.404 -0.040 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000519543817 354562246 /nfs/dbraw/zinc/56/22/46/354562246.db2.gz NFVMNULNTQGVJG-OLZOCXBDSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[N@H+]1CCC[C@H](C)C1 ZINC000519548882 354563700 /nfs/dbraw/zinc/56/37/00/354563700.db2.gz MWJJPCOUFHHCEY-XQQFMLRXSA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529308284 354583400 /nfs/dbraw/zinc/58/34/00/354583400.db2.gz DTYYGTXDCQIXSE-NSHDSACASA-N 2 1 270.377 -0.112 20 0 CBADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000529309033 354583814 /nfs/dbraw/zinc/58/38/14/354583814.db2.gz XSEGAETUCOGANK-UONOGXRCSA-N 2 1 297.447 -0.128 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000545176901 354644425 /nfs/dbraw/zinc/64/44/25/354644425.db2.gz WHLTTYNYZALRQF-HNNXBMFYSA-N 2 1 296.415 -0.021 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000546590488 354653245 /nfs/dbraw/zinc/65/32/45/354653245.db2.gz BXFBFWMGJTWCQE-SWLSCSKDSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000546590488 354653249 /nfs/dbraw/zinc/65/32/49/354653249.db2.gz BXFBFWMGJTWCQE-SWLSCSKDSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000546590488 354653252 /nfs/dbraw/zinc/65/32/52/354653252.db2.gz BXFBFWMGJTWCQE-SWLSCSKDSA-N 2 1 296.415 -0.164 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CC1)C(=O)NCC[NH+](C)C ZINC000556901333 354683226 /nfs/dbraw/zinc/68/32/26/354683226.db2.gz MMNRTAUUZIGFHU-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000557242094 354685755 /nfs/dbraw/zinc/68/57/55/354685755.db2.gz ZWVRGSMTOWWWKY-UONOGXRCSA-N 2 1 297.447 -0.127 20 0 CBADMP CN(C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563154257 354699772 /nfs/dbraw/zinc/69/97/72/354699772.db2.gz LJDQZUDYOPLYSZ-LLVKDONJSA-N 2 1 255.362 -0.238 20 0 CBADMP CN(C)C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563154257 354699775 /nfs/dbraw/zinc/69/97/75/354699775.db2.gz LJDQZUDYOPLYSZ-LLVKDONJSA-N 2 1 255.362 -0.238 20 0 CBADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000563150065 354700037 /nfs/dbraw/zinc/70/00/37/354700037.db2.gz XUJKQVBOCLJHOU-QWHCGFSZSA-N 3 1 266.389 -0.650 20 0 CBADMP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000563150065 354700040 /nfs/dbraw/zinc/70/00/40/354700040.db2.gz XUJKQVBOCLJHOU-QWHCGFSZSA-N 3 1 266.389 -0.650 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000563160531 354701077 /nfs/dbraw/zinc/70/10/77/354701077.db2.gz VKJGXWBXADEVLF-SCRDCRAPSA-N 2 1 298.431 -0.116 20 0 CBADMP CNC(=O)CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000564523368 354712657 /nfs/dbraw/zinc/71/26/57/354712657.db2.gz JKQRBDGELRSWTA-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CNC(=O)CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000564523368 354712662 /nfs/dbraw/zinc/71/26/62/354712662.db2.gz JKQRBDGELRSWTA-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000564656964 354715085 /nfs/dbraw/zinc/71/50/85/354715085.db2.gz OYIVHMKFMYTSNF-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000564949350 354721886 /nfs/dbraw/zinc/72/18/86/354721886.db2.gz HRYXBAVLPJNCFK-UONOGXRCSA-N 2 1 290.367 -0.067 20 0 CBADMP CN(C)C(=O)CC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000564988143 354724976 /nfs/dbraw/zinc/72/49/76/354724976.db2.gz PNSDKNGWDIMTAR-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000556737240 354681100 /nfs/dbraw/zinc/68/11/00/354681100.db2.gz QJLYXXNGNBTODD-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])[C@H]1c1ccccc1 ZINC000418912901 283046052 /nfs/dbraw/zinc/04/60/52/283046052.db2.gz RXIHJFOOFBVPCB-CHWSQXEVSA-N 2 1 290.367 -0.377 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](C)[NH2+]C)CC1 ZINC000565962271 354749731 /nfs/dbraw/zinc/74/97/31/354749731.db2.gz YYAUXGDNXAUDJR-OLZOCXBDSA-N 2 1 270.421 -0.016 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(=O)OC)C1CC1 ZINC000566157780 354754591 /nfs/dbraw/zinc/75/45/91/354754591.db2.gz VIXNGOZUVJFKJE-JTQLQIEISA-N 2 1 257.334 -0.523 20 0 CBADMP C[C@]1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]C1 ZINC000566207076 354757468 /nfs/dbraw/zinc/75/74/68/354757468.db2.gz RBDSGMBCFLPHLA-DOMZBBRYSA-N 2 1 294.399 -0.591 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000566235038 354758131 /nfs/dbraw/zinc/75/81/31/354758131.db2.gz PPHOPXFSYGTGCQ-NEPJUHHUSA-N 2 1 272.320 -0.265 20 0 CBADMP [NH3+]CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000566225470 354758467 /nfs/dbraw/zinc/75/84/67/354758467.db2.gz PLMXVCYKDVWNGL-LBPRGKRZSA-N 3 1 254.378 -0.521 20 0 CBADMP [NH3+]CCC[N@@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000566225470 354758468 /nfs/dbraw/zinc/75/84/68/354758468.db2.gz PLMXVCYKDVWNGL-LBPRGKRZSA-N 2 1 254.378 -0.521 20 0 CBADMP [NH3+]CCC[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000566225470 354758471 /nfs/dbraw/zinc/75/84/71/354758471.db2.gz PLMXVCYKDVWNGL-LBPRGKRZSA-N 2 1 254.378 -0.521 20 0 CBADMP [NH3+]CCCn1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)nn1 ZINC000566289075 354761958 /nfs/dbraw/zinc/76/19/58/354761958.db2.gz VPPADNRUVFHICC-AAEUAGOBSA-N 2 1 292.387 -0.017 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000567353303 354785870 /nfs/dbraw/zinc/78/58/70/354785870.db2.gz LMSBPFJQGPIAFF-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000567368496 354786644 /nfs/dbraw/zinc/78/66/44/354786644.db2.gz XXDYZSUZTSCZJL-JHJVBQTASA-N 3 1 266.389 -0.380 20 0 CBADMP C[N@@H+](CCCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000565252505 354734800 /nfs/dbraw/zinc/73/48/00/354734800.db2.gz CSQDJQIZIFEXRO-NSHDSACASA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)COC1C[NH2+]C1 ZINC000567811717 354798303 /nfs/dbraw/zinc/79/83/03/354798303.db2.gz BFJNDFKLWXMOJZ-ZYHUDNBSSA-N 2 1 255.362 -0.227 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422639357 291041629 /nfs/dbraw/zinc/04/16/29/291041629.db2.gz SODJLVVADLHCLJ-WOPDTQHZSA-N 2 1 285.388 -0.029 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422639357 291041632 /nfs/dbraw/zinc/04/16/32/291041632.db2.gz SODJLVVADLHCLJ-WOPDTQHZSA-N 2 1 285.388 -0.029 20 0 CBADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000567888434 354803311 /nfs/dbraw/zinc/80/33/11/354803311.db2.gz FOCOAWUZNPMTRW-ZDUSSCGKSA-N 3 1 268.405 -0.131 20 0 CBADMP [NH3+]CC[C@@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000567888434 354803315 /nfs/dbraw/zinc/80/33/15/354803315.db2.gz FOCOAWUZNPMTRW-ZDUSSCGKSA-N 2 1 268.405 -0.131 20 0 CBADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000567888434 354803319 /nfs/dbraw/zinc/80/33/19/354803319.db2.gz FOCOAWUZNPMTRW-ZDUSSCGKSA-N 2 1 268.405 -0.131 20 0 CBADMP C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000567893788 354803554 /nfs/dbraw/zinc/80/35/54/354803554.db2.gz ZMNWASXCDITKOV-AWEZNQCLSA-N 3 1 252.406 -0.033 20 0 CBADMP C(CN1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000567893788 354803555 /nfs/dbraw/zinc/80/35/55/354803555.db2.gz ZMNWASXCDITKOV-AWEZNQCLSA-N 2 1 252.406 -0.033 20 0 CBADMP CCOC(=O)[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000567894707 354803677 /nfs/dbraw/zinc/80/36/77/354803677.db2.gz PKQQQIAGXBJCSN-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP CCOC(=O)[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000567894707 354803678 /nfs/dbraw/zinc/80/36/78/354803678.db2.gz PKQQQIAGXBJCSN-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000567900143 354804176 /nfs/dbraw/zinc/80/41/76/354804176.db2.gz SUONXUCEEYCKQR-GFCCVEGCSA-N 3 1 256.394 -0.085 20 0 CBADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000567900143 354804182 /nfs/dbraw/zinc/80/41/82/354804182.db2.gz SUONXUCEEYCKQR-GFCCVEGCSA-N 3 1 256.394 -0.085 20 0 CBADMP CC[C@H](CO)[NH+]1CCN(C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000568165677 354812405 /nfs/dbraw/zinc/81/24/05/354812405.db2.gz UHUNZDKEUAUYRM-ZIAGYGMSSA-N 2 1 273.421 -0.313 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](COC)(C(=O)OC)C1 ZINC000568177423 354813109 /nfs/dbraw/zinc/81/31/09/354813109.db2.gz VESRPSJENMGHPX-TZMCWYRMSA-N 2 1 288.388 -0.190 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](COC)(C(=O)OC)C1 ZINC000568177423 354813111 /nfs/dbraw/zinc/81/31/11/354813111.db2.gz VESRPSJENMGHPX-TZMCWYRMSA-N 2 1 288.388 -0.190 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](COC)(C(=O)OC)C1 ZINC000568177423 354813113 /nfs/dbraw/zinc/81/31/13/354813113.db2.gz VESRPSJENMGHPX-TZMCWYRMSA-N 2 1 288.388 -0.190 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](COC)(C(=O)OC)C1 ZINC000568177423 354813115 /nfs/dbraw/zinc/81/31/15/354813115.db2.gz VESRPSJENMGHPX-TZMCWYRMSA-N 2 1 288.388 -0.190 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)C1 ZINC000568211611 354815385 /nfs/dbraw/zinc/81/53/85/354815385.db2.gz CXDSVAHDNKYVDP-BXUZGUMPSA-N 2 1 267.373 -0.489 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568296067 354821719 /nfs/dbraw/zinc/82/17/19/354821719.db2.gz YICVVANITBOGQS-GRYCIOLGSA-N 2 1 295.387 -0.966 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000568389418 354822658 /nfs/dbraw/zinc/82/26/58/354822658.db2.gz IMSNPQPVWFWHBB-ZYHUDNBSSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000568512186 354825703 /nfs/dbraw/zinc/82/57/03/354825703.db2.gz NTUZUZQGBWZEMW-CYBMUJFWSA-N 2 1 271.361 -0.321 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000568738322 354830778 /nfs/dbraw/zinc/83/07/78/354830778.db2.gz ZHZBRFPGUSMPNK-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP CC(C)N1CC[NH+](CCCN(CC[NH3+])CCO)CC1 ZINC000568765417 354832226 /nfs/dbraw/zinc/83/22/26/354832226.db2.gz DNGWNDGINJBMJB-UHFFFAOYSA-N 3 1 272.437 -0.345 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000567765527 354796272 /nfs/dbraw/zinc/79/62/72/354796272.db2.gz ZEYPWXIBHJJEDF-YNEHKIRRSA-N 2 1 296.415 -0.312 20 0 CBADMP Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000567753751 354796487 /nfs/dbraw/zinc/79/64/87/354796487.db2.gz FPKWTZLCLJELRG-QWRGUYRKSA-N 2 1 276.340 -0.161 20 0 CBADMP Cc1ccc(O)c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000567753751 354796489 /nfs/dbraw/zinc/79/64/89/354796489.db2.gz FPKWTZLCLJELRG-QWRGUYRKSA-N 2 1 276.340 -0.161 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000570825166 354870989 /nfs/dbraw/zinc/87/09/89/354870989.db2.gz YNTUNPUYAZCUFF-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C[C@@H]1O ZINC000570939003 354873785 /nfs/dbraw/zinc/87/37/85/354873785.db2.gz BLCINAPBANFKCB-WOPDTQHZSA-N 2 1 287.429 -0.443 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)N(C)CCC[NH3+])n1C ZINC000568902574 354835093 /nfs/dbraw/zinc/83/50/93/354835093.db2.gz QJAUWEWKMMXHRH-UHFFFAOYSA-N 2 1 268.365 -0.024 20 0 CBADMP COCCN1CCC[N@H+](CCOCC[NH3+])CC1=O ZINC000569104421 354838168 /nfs/dbraw/zinc/83/81/68/354838168.db2.gz JYFRRWDDLQPREQ-UHFFFAOYSA-N 2 1 259.350 -0.858 20 0 CBADMP COCCN1CCC[N@@H+](CCOCC[NH3+])CC1=O ZINC000569104421 354838171 /nfs/dbraw/zinc/83/81/71/354838171.db2.gz JYFRRWDDLQPREQ-UHFFFAOYSA-N 2 1 259.350 -0.858 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]2(COC)CC[NH2+]C2)C1 ZINC000569218298 354840299 /nfs/dbraw/zinc/84/02/99/354840299.db2.gz YSMZFDXCTUMHEE-GXTWGEPZSA-N 2 1 285.388 -0.551 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000569863674 354848469 /nfs/dbraw/zinc/84/84/69/354848469.db2.gz HJVUTJLUNQBQRZ-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH2+]C[C@](C)(O)CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000570100740 354854924 /nfs/dbraw/zinc/85/49/24/354854924.db2.gz UTYYZFASBFYYSZ-RDBSUJKOSA-N 2 1 271.405 -0.215 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000570451617 354861985 /nfs/dbraw/zinc/86/19/85/354861985.db2.gz VMYQNXGOHARSFO-NWDGAFQWSA-N 2 1 256.394 -0.406 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000570461773 354863019 /nfs/dbraw/zinc/86/30/19/354863019.db2.gz UUGAXUANRCKYEM-CHWSQXEVSA-N 2 1 299.415 -0.284 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000570461773 354863023 /nfs/dbraw/zinc/86/30/23/354863023.db2.gz UUGAXUANRCKYEM-CHWSQXEVSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[N@H+]1CCN(C[C@H](O)C[NH+](C)CCOC)[C@H](C)C1 ZINC000570580460 354865192 /nfs/dbraw/zinc/86/51/92/354865192.db2.gz XDUBJHRCGKKYAA-ZIAGYGMSSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+]1CCN(C[C@H](O)C[N@H+](C)CCOC)[C@H](C)C1 ZINC000570580460 354865194 /nfs/dbraw/zinc/86/51/94/354865194.db2.gz XDUBJHRCGKKYAA-ZIAGYGMSSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+]1CCN(C[C@H](O)C[N@@H+](C)CCOC)[C@H](C)C1 ZINC000570580460 354865198 /nfs/dbraw/zinc/86/51/98/354865198.db2.gz XDUBJHRCGKKYAA-ZIAGYGMSSA-N 2 1 273.421 -0.049 20 0 CBADMP [NH3+][C@H]1C[C@H]2CN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000571938290 354884007 /nfs/dbraw/zinc/88/40/07/354884007.db2.gz ABRPJDFAQBCMLD-FQUUOJAGSA-N 2 1 294.399 -0.907 20 0 CBADMP [NH3+][C@H]1C[C@H]2CN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000571938290 354884011 /nfs/dbraw/zinc/88/40/11/354884011.db2.gz ABRPJDFAQBCMLD-FQUUOJAGSA-N 2 1 294.399 -0.907 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000572039539 354886710 /nfs/dbraw/zinc/88/67/10/354886710.db2.gz PTOXORSVWWJSLJ-QJPTWQEYSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000572133540 354887317 /nfs/dbraw/zinc/88/73/17/354887317.db2.gz FPEZXMZQENQZBB-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000572400077 354891296 /nfs/dbraw/zinc/89/12/96/354891296.db2.gz PALUHGCYRKRWSU-VWYCJHECSA-N 2 1 269.345 -0.428 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000572400077 354891301 /nfs/dbraw/zinc/89/13/01/354891301.db2.gz PALUHGCYRKRWSU-VWYCJHECSA-N 2 1 269.345 -0.428 20 0 CBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)[C@H]2C1 ZINC000572869823 354900422 /nfs/dbraw/zinc/90/04/22/354900422.db2.gz RYSOGESUJZRILB-UHXUPSOCSA-N 2 1 265.357 -0.330 20 0 CBADMP Cc1n[nH]c(C)c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000573221007 354907837 /nfs/dbraw/zinc/90/78/37/354907837.db2.gz WVOZMNLFKSHQIP-PWSUYJOCSA-N 2 1 263.345 -0.230 20 0 CBADMP Cc1n[nH]c(C)c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000573221007 354907841 /nfs/dbraw/zinc/90/78/41/354907841.db2.gz WVOZMNLFKSHQIP-PWSUYJOCSA-N 2 1 263.345 -0.230 20 0 CBADMP COC(=O)[C@@H]1CN(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000573220102 354908250 /nfs/dbraw/zinc/90/82/50/354908250.db2.gz YBUJLXSTYAOMHD-CHWSQXEVSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[NH+]2CC[C@@H](C)C2)CC[N@@H+](C)C1 ZINC000573220102 354908259 /nfs/dbraw/zinc/90/82/59/354908259.db2.gz YBUJLXSTYAOMHD-CHWSQXEVSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC[NH+](C)C1 ZINC000573220102 354908263 /nfs/dbraw/zinc/90/82/63/354908263.db2.gz YBUJLXSTYAOMHD-CHWSQXEVSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC[NH+](C)C1 ZINC000573220102 354908265 /nfs/dbraw/zinc/90/82/65/354908265.db2.gz YBUJLXSTYAOMHD-CHWSQXEVSA-N 2 1 297.399 -0.109 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000573442444 354913476 /nfs/dbraw/zinc/91/34/76/354913476.db2.gz LSTKUNBAFAGTCB-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP C[NH2+]CCC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000573564219 354915140 /nfs/dbraw/zinc/91/51/40/354915140.db2.gz ADHQPWWWCMLLQM-LBPRGKRZSA-N 3 1 252.366 -0.017 20 0 CBADMP NC(=O)NC(=O)CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000571790267 354880103 /nfs/dbraw/zinc/88/01/03/354880103.db2.gz FVODIYHALKTDOT-VIFPVBQESA-N 2 1 254.334 -0.355 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@]12CCNC2=O ZINC000571818664 354881112 /nfs/dbraw/zinc/88/11/12/354881112.db2.gz SQCCVLWKDXIBRT-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000571882589 354882589 /nfs/dbraw/zinc/88/25/89/354882589.db2.gz LMOLADRPHLGOBV-RYUDHWBXSA-N 2 1 255.362 -0.048 20 0 CBADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000573942695 354925498 /nfs/dbraw/zinc/92/54/98/354925498.db2.gz HXERLNKTWFNDBK-ZDUSSCGKSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](N2CCNC2=O)C1 ZINC000574168778 354929286 /nfs/dbraw/zinc/92/92/86/354929286.db2.gz HAQWIRAHUFAIOQ-CHWSQXEVSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000575123749 354934285 /nfs/dbraw/zinc/93/42/85/354934285.db2.gz WMCSRPXKRNYOOJ-YFKTTZPYSA-N 2 1 296.415 -0.030 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000578533436 354948576 /nfs/dbraw/zinc/94/85/76/354948576.db2.gz LUXIXQPIIOYNQU-NSHDSACASA-N 2 1 255.362 -0.190 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000578533436 354948579 /nfs/dbraw/zinc/94/85/79/354948579.db2.gz LUXIXQPIIOYNQU-NSHDSACASA-N 2 1 255.362 -0.190 20 0 CBADMP CO[C@@H]1CCN(CCC(=O)N2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000578867980 354956378 /nfs/dbraw/zinc/95/63/78/354956378.db2.gz JWEXCIQSSSISQJ-UONOGXRCSA-N 3 1 298.431 -0.411 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000578895489 354958252 /nfs/dbraw/zinc/95/82/52/354958252.db2.gz UBURYKFXWLGHDY-AWEZNQCLSA-N 2 1 298.431 -0.491 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000578988197 354959100 /nfs/dbraw/zinc/95/91/00/354959100.db2.gz RHCDYIDSFMEWRB-GHMZBOCLSA-N 2 1 263.407 -0.015 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000578988197 354959101 /nfs/dbraw/zinc/95/91/01/354959101.db2.gz RHCDYIDSFMEWRB-GHMZBOCLSA-N 2 1 263.407 -0.015 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000579490670 354972019 /nfs/dbraw/zinc/97/20/19/354972019.db2.gz DDVGENQYJVGRTO-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000579490670 354972021 /nfs/dbraw/zinc/97/20/21/354972021.db2.gz DDVGENQYJVGRTO-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000579490670 354972025 /nfs/dbraw/zinc/97/20/25/354972025.db2.gz DDVGENQYJVGRTO-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000579488898 354972047 /nfs/dbraw/zinc/97/20/47/354972047.db2.gz AJMHJAYCSSIGAH-YNEHKIRRSA-N 2 1 287.404 -0.570 20 0 CBADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)CCOC ZINC000579488898 354972049 /nfs/dbraw/zinc/97/20/49/354972049.db2.gz AJMHJAYCSSIGAH-YNEHKIRRSA-N 2 1 287.404 -0.570 20 0 CBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000579588114 354973270 /nfs/dbraw/zinc/97/32/70/354973270.db2.gz XUQPTAZNOFXOQX-UWVGGRQHSA-N 2 1 257.334 -0.523 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000579588114 354973272 /nfs/dbraw/zinc/97/32/72/354973272.db2.gz XUQPTAZNOFXOQX-UWVGGRQHSA-N 2 1 257.334 -0.523 20 0 CBADMP C[C@@H]1CN(C(=O)Cn2ccnc2)[C@@H](C)C[N@H+]1CCO ZINC000579719751 354977656 /nfs/dbraw/zinc/97/76/56/354977656.db2.gz IBRFIXUALSTDDE-NEPJUHHUSA-N 2 1 266.345 -0.203 20 0 CBADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000579828683 354979720 /nfs/dbraw/zinc/97/97/20/354979720.db2.gz JOUBJVHBRUEQIN-NWDGAFQWSA-N 2 1 256.394 -0.264 20 0 CBADMP C[C@@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C(=O)NCC[NH+](C)C ZINC000579857987 354981675 /nfs/dbraw/zinc/98/16/75/354981675.db2.gz NTIZNXZXQFNIKK-WDEREUQCSA-N 2 1 295.387 -0.229 20 0 CBADMP C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000579857985 354982548 /nfs/dbraw/zinc/98/25/48/354982548.db2.gz NTIZNXZXQFNIKK-MNOVXSKESA-N 2 1 295.387 -0.229 20 0 CBADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000580413272 354995534 /nfs/dbraw/zinc/99/55/34/354995534.db2.gz AYWHJTRLRNQLEA-RYUDHWBXSA-N 2 1 270.377 -0.290 20 0 CBADMP C[C@H](Cn1cncn1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000584524835 355031209 /nfs/dbraw/zinc/03/12/09/355031209.db2.gz KPTDSRDFIRKUGD-PWSUYJOCSA-N 2 1 253.350 -0.289 20 0 CBADMP C[C@H](Cn1cncn1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000584524835 355031211 /nfs/dbraw/zinc/03/12/11/355031211.db2.gz KPTDSRDFIRKUGD-PWSUYJOCSA-N 2 1 253.350 -0.289 20 0 CBADMP C[NH2+]CC1CC[NH+](CCC(=O)N2CCNCC2)CC1 ZINC000584598782 355033035 /nfs/dbraw/zinc/03/30/35/355033035.db2.gz MZWNMNZUGDBWLW-UHFFFAOYSA-N 2 1 268.405 -0.260 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000584839477 355040110 /nfs/dbraw/zinc/04/01/10/355040110.db2.gz AESBBMSADUYKQZ-CYBMUJFWSA-N 2 1 268.405 -0.179 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000584839477 355040114 /nfs/dbraw/zinc/04/01/14/355040114.db2.gz AESBBMSADUYKQZ-CYBMUJFWSA-N 3 1 268.405 -0.179 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000584839477 355040116 /nfs/dbraw/zinc/04/01/16/355040116.db2.gz AESBBMSADUYKQZ-CYBMUJFWSA-N 3 1 268.405 -0.179 20 0 CBADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000581368352 355005676 /nfs/dbraw/zinc/00/56/76/355005676.db2.gz BYYATIQTIULSKF-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](C[C@H]3CCCOC3)CCN2C1=O ZINC000582073659 355007165 /nfs/dbraw/zinc/00/71/65/355007165.db2.gz LWDZHJZZJBPDQW-GRYCIOLGSA-N 2 1 253.346 -0.343 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000582074286 355007234 /nfs/dbraw/zinc/00/72/34/355007234.db2.gz NXSGZAWLUHYMPL-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](C[C@@H]3CCCOC3)CCN2C1=O ZINC000582073662 355007780 /nfs/dbraw/zinc/00/77/80/355007780.db2.gz LWDZHJZZJBPDQW-SDDRHHMPSA-N 2 1 253.346 -0.343 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000582291430 355013049 /nfs/dbraw/zinc/01/30/49/355013049.db2.gz XZTVARHMTJSVPG-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000582350473 355015077 /nfs/dbraw/zinc/01/50/77/355015077.db2.gz FBIMBNVEMSXPSZ-RYUDHWBXSA-N 2 1 294.399 -0.450 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CC[NH2+]CC1(F)F ZINC000583559476 355019926 /nfs/dbraw/zinc/01/99/26/355019926.db2.gz SKKXHGSXBUUYTL-IUCAKERBSA-N 2 1 263.288 -0.664 20 0 CBADMP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CC[NH2+]CC1(F)F ZINC000583559474 355020438 /nfs/dbraw/zinc/02/04/38/355020438.db2.gz SKKXHGSXBUUYTL-BDAKNGLRSA-N 2 1 263.288 -0.664 20 0 CBADMP C[NH2+]CCC[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000583631659 355021240 /nfs/dbraw/zinc/02/12/40/355021240.db2.gz VWGHNTLYYGRLHF-UHFFFAOYSA-N 2 1 263.407 -0.143 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NCCC[NH+](C)C ZINC000588964934 355063917 /nfs/dbraw/zinc/06/39/17/355063917.db2.gz JGXGLOGMUYAOSM-UHFFFAOYSA-N 2 1 260.382 -0.185 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)C[C@@H]21 ZINC000423734455 283079930 /nfs/dbraw/zinc/07/99/30/283079930.db2.gz CVWMGSSIHQRKRU-UTUOFQBUSA-N 2 1 280.372 -0.901 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000592197189 355140306 /nfs/dbraw/zinc/14/03/06/355140306.db2.gz CGUFBVPBMXRJNB-LLVKDONJSA-N 2 1 287.360 -0.943 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[NH+](C)C ZINC000592472226 355155321 /nfs/dbraw/zinc/15/53/21/355155321.db2.gz XZQFITAJCHELBK-ZDUSSCGKSA-N 2 1 285.436 -0.127 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593731550 355217318 /nfs/dbraw/zinc/21/73/18/355217318.db2.gz ZTQFUZVFIBEFAB-TUAOUCFPSA-N 2 1 298.387 -0.068 20 0 CBADMP Cn1cc(CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000594875075 355265645 /nfs/dbraw/zinc/26/56/45/355265645.db2.gz QIODAJWAKSRNTB-RYUDHWBXSA-N 2 1 263.345 -0.794 20 0 CBADMP Cn1cc(CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000594875075 355265647 /nfs/dbraw/zinc/26/56/47/355265647.db2.gz QIODAJWAKSRNTB-RYUDHWBXSA-N 2 1 263.345 -0.794 20 0 CBADMP Cc1cc(C)n(CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000594875033 355265662 /nfs/dbraw/zinc/26/56/62/355265662.db2.gz KRPRUXNPVAPMMZ-CHWSQXEVSA-N 2 1 277.372 -0.256 20 0 CBADMP Cc1cc(C)n(CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000594875033 355265663 /nfs/dbraw/zinc/26/56/63/355265663.db2.gz KRPRUXNPVAPMMZ-CHWSQXEVSA-N 2 1 277.372 -0.256 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2C[C@H](C[NH3+])C[C@H]2C)C1=O ZINC000595890173 355314334 /nfs/dbraw/zinc/31/43/34/355314334.db2.gz YYXAJOKQXZPBSU-WOPDTQHZSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H](C)O1 ZINC000595896764 355315716 /nfs/dbraw/zinc/31/57/16/355315716.db2.gz XEONJHOSRWIALQ-TUAOUCFPSA-N 2 1 284.356 -0.230 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H](C)O1 ZINC000595896764 355315719 /nfs/dbraw/zinc/31/57/19/355315719.db2.gz XEONJHOSRWIALQ-TUAOUCFPSA-N 2 1 284.356 -0.230 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000595894979 355315928 /nfs/dbraw/zinc/31/59/28/355315928.db2.gz ZTEQTKJEGYCKPE-WDEREUQCSA-N 2 1 269.345 -0.569 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000595894979 355315931 /nfs/dbraw/zinc/31/59/31/355315931.db2.gz ZTEQTKJEGYCKPE-WDEREUQCSA-N 2 1 269.345 -0.569 20 0 CBADMP COC(=O)C12CC(C1)C[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000595903870 355317063 /nfs/dbraw/zinc/31/70/63/355317063.db2.gz SYRXYGJCWCRAOI-UHFFFAOYSA-N 2 1 281.356 -0.554 20 0 CBADMP COC(=O)C12CC(C1)C[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000595903870 355317066 /nfs/dbraw/zinc/31/70/66/355317066.db2.gz SYRXYGJCWCRAOI-UHFFFAOYSA-N 2 1 281.356 -0.554 20 0 CBADMP COC(=O)[C@](C)(O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595907020 355317948 /nfs/dbraw/zinc/31/79/48/355317948.db2.gz QSUZKDKMPRYPGW-GXTWGEPZSA-N 2 1 288.388 -0.047 20 0 CBADMP COC(=O)[C@](C)(O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595907020 355317950 /nfs/dbraw/zinc/31/79/50/355317950.db2.gz QSUZKDKMPRYPGW-GXTWGEPZSA-N 2 1 288.388 -0.047 20 0 CBADMP COC(=O)CN(C)C(=O)CC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420375421 291065750 /nfs/dbraw/zinc/06/57/50/291065750.db2.gz SXIGHBMSNBEAJX-COPLHBTASA-N 2 1 285.388 -0.016 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598684800 355450112 /nfs/dbraw/zinc/45/01/12/355450112.db2.gz ZEHPOODNVCFAFS-BXKDBHETSA-N 2 1 254.334 -0.355 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598684800 355450115 /nfs/dbraw/zinc/45/01/15/355450115.db2.gz ZEHPOODNVCFAFS-BXKDBHETSA-N 2 1 254.334 -0.355 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000599936616 355519527 /nfs/dbraw/zinc/51/95/27/355519527.db2.gz YICVVANITBOGQS-QJPTWQEYSA-N 2 1 295.387 -0.966 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000599936617 355520009 /nfs/dbraw/zinc/52/00/09/355520009.db2.gz YICVVANITBOGQS-SDDRHHMPSA-N 2 1 295.387 -0.966 20 0 CBADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000601325536 355585401 /nfs/dbraw/zinc/58/54/01/355585401.db2.gz KVCVBQRDIIJTDV-QCNOEVLYSA-N 2 1 253.346 -0.345 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000601325668 355585700 /nfs/dbraw/zinc/58/57/00/355585700.db2.gz FDXZOTPHALNZGC-UTUOFQBUSA-N 2 1 283.372 -0.323 20 0 CBADMP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000601326045 355585811 /nfs/dbraw/zinc/58/58/11/355585811.db2.gz IRFTUBCWMWSPAX-RKDXNWHRSA-N 2 1 254.334 -0.499 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000601326045 355585814 /nfs/dbraw/zinc/58/58/14/355585814.db2.gz IRFTUBCWMWSPAX-RKDXNWHRSA-N 2 1 254.334 -0.499 20 0 CBADMP C[C@@H]1C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000601326335 355586585 /nfs/dbraw/zinc/58/65/85/355586585.db2.gz MFCOWQYSQYTEHV-HTQZYQBOSA-N 2 1 296.293 -0.099 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000601326335 355586588 /nfs/dbraw/zinc/58/65/88/355586588.db2.gz MFCOWQYSQYTEHV-HTQZYQBOSA-N 2 1 296.293 -0.099 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000419322898 291069134 /nfs/dbraw/zinc/06/91/34/291069134.db2.gz SYTYYAOASWUPIH-SDDRHHMPSA-N 2 1 294.399 -0.404 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H](C)O1 ZINC000600732121 355563685 /nfs/dbraw/zinc/56/36/85/355563685.db2.gz XEONJHOSRWIALQ-WOPDTQHZSA-N 2 1 284.356 -0.230 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H](C)O1 ZINC000600732121 355563689 /nfs/dbraw/zinc/56/36/89/355563689.db2.gz XEONJHOSRWIALQ-WOPDTQHZSA-N 2 1 284.356 -0.230 20 0 CBADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000600734611 355564244 /nfs/dbraw/zinc/56/42/44/355564244.db2.gz HYGPYEFARUPPSP-NSHDSACASA-N 2 1 288.392 -0.236 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000600747380 355565218 /nfs/dbraw/zinc/56/52/18/355565218.db2.gz WMVGVAYVTVYOMO-SRVKXCTJSA-N 2 1 256.346 -0.016 20 0 CBADMP C[C@@H]1CC[C@H](C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)O1 ZINC000601965193 355622189 /nfs/dbraw/zinc/62/21/89/355622189.db2.gz WQDVBOPRCJWVQN-DDHJBXDOSA-N 2 1 253.346 -0.202 20 0 CBADMP C[C@@H]1CC[C@H](C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)O1 ZINC000601965193 355622191 /nfs/dbraw/zinc/62/21/91/355622191.db2.gz WQDVBOPRCJWVQN-DDHJBXDOSA-N 2 1 253.346 -0.202 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CC[N@H+](C)C1 ZINC000602161622 355636448 /nfs/dbraw/zinc/63/64/48/355636448.db2.gz ICBVJKWVGOYJRW-GHMZBOCLSA-N 2 1 271.361 -0.500 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CC[N@@H+](C)C1 ZINC000602161622 355636449 /nfs/dbraw/zinc/63/64/49/355636449.db2.gz ICBVJKWVGOYJRW-GHMZBOCLSA-N 2 1 271.361 -0.500 20 0 CBADMP C[N@@H+](C[C@@H](O)Cn1cc(CSCC[NH3+])nn1)C1CC1 ZINC000603259613 355700912 /nfs/dbraw/zinc/70/09/12/355700912.db2.gz MWCWABJCNKIJOB-GFCCVEGCSA-N 2 1 285.417 -0.075 20 0 CBADMP 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 355735659 /nfs/dbraw/zinc/73/56/59/355735659.db2.gz HNROONTYVKQOMT-QCODTGAPSA-N 4 1 278.444 -0.075 20 0 CBADMP C[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000605575567 355735662 /nfs/dbraw/zinc/73/56/62/355735662.db2.gz HNROONTYVKQOMT-QCODTGAPSA-N 2 1 278.444 -0.075 20 0 CBADMP C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000607151007 355746494 /nfs/dbraw/zinc/74/64/94/355746494.db2.gz ZSTUQNQBBGCBPG-TUVASFSCSA-N 3 1 264.417 -0.321 20 0 CBADMP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000607151007 355746497 /nfs/dbraw/zinc/74/64/97/355746497.db2.gz ZSTUQNQBBGCBPG-TUVASFSCSA-N 3 1 264.417 -0.321 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000612883869 355855044 /nfs/dbraw/zinc/85/50/44/355855044.db2.gz UQGHDXMUKRUEBC-WCQYABFASA-N 2 1 270.377 -0.242 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000612883870 355855179 /nfs/dbraw/zinc/85/51/79/355855179.db2.gz UQGHDXMUKRUEBC-YPMHNXCESA-N 2 1 270.377 -0.242 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612972014 355858513 /nfs/dbraw/zinc/85/85/13/355858513.db2.gz RFRAAMXDXJUWQI-QWHCGFSZSA-N 2 1 295.431 -0.327 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CN1CC[NH+](C)CC1 ZINC000613660338 355902889 /nfs/dbraw/zinc/90/28/89/355902889.db2.gz IUJVSVKQDYFDLJ-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)[NH+](C)C ZINC000614505821 355965618 /nfs/dbraw/zinc/96/56/18/355965618.db2.gz BCJRNPNTOIHWDD-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000615313280 356021128 /nfs/dbraw/zinc/02/11/28/356021128.db2.gz HXGVKIMLBSDVCE-MCIONIFRSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+](C)C ZINC000617756963 356154455 /nfs/dbraw/zinc/15/44/55/356154455.db2.gz RUUGYGTYPGNAIL-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000618193249 356179325 /nfs/dbraw/zinc/17/93/25/356179325.db2.gz PJJSTEJRHJHFLT-GFCCVEGCSA-N 2 1 255.362 -0.273 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000618193249 356179330 /nfs/dbraw/zinc/17/93/30/356179330.db2.gz PJJSTEJRHJHFLT-GFCCVEGCSA-N 2 1 255.362 -0.273 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnnn1C ZINC000617507976 356139070 /nfs/dbraw/zinc/13/90/70/356139070.db2.gz QKIQCYBAVWFURL-NSHDSACASA-N 2 1 282.392 -0.183 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnnn1C ZINC000617507976 356139072 /nfs/dbraw/zinc/13/90/72/356139072.db2.gz QKIQCYBAVWFURL-NSHDSACASA-N 2 1 282.392 -0.183 20 0 CBADMP CC(=O)N[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617503443 356139333 /nfs/dbraw/zinc/13/93/33/356139333.db2.gz JPXPQOJCQXMAKN-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CC(=O)N[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617503443 356139336 /nfs/dbraw/zinc/13/93/36/356139336.db2.gz JPXPQOJCQXMAKN-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617503444 356139495 /nfs/dbraw/zinc/13/94/95/356139495.db2.gz JPXPQOJCQXMAKN-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617503444 356139499 /nfs/dbraw/zinc/13/94/99/356139499.db2.gz JPXPQOJCQXMAKN-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507403 356139845 /nfs/dbraw/zinc/13/98/45/356139845.db2.gz VPBAUPWNEIGPCB-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CNC(=O)CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507403 356139850 /nfs/dbraw/zinc/13/98/50/356139850.db2.gz VPBAUPWNEIGPCB-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC000617504942 356140043 /nfs/dbraw/zinc/14/00/43/356140043.db2.gz QDAGWKGLDBGQLK-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC000617504942 356140046 /nfs/dbraw/zinc/14/00/46/356140046.db2.gz QDAGWKGLDBGQLK-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCN(C(=O)CN1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000617555197 356141524 /nfs/dbraw/zinc/14/15/24/356141524.db2.gz RBVJMVBVMBWXDF-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP CCN(C(=O)CN1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000617555197 356141527 /nfs/dbraw/zinc/14/15/27/356141527.db2.gz RBVJMVBVMBWXDF-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618305859 356185274 /nfs/dbraw/zinc/18/52/74/356185274.db2.gz KCFYEFPWPYGSKR-UHFFFAOYSA-N 2 1 286.420 -0.193 20 0 CBADMP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000620970562 356253569 /nfs/dbraw/zinc/25/35/69/356253569.db2.gz STMKPVHFNLZYIP-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000620970562 356253572 /nfs/dbraw/zinc/25/35/72/356253572.db2.gz STMKPVHFNLZYIP-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CC(N)=O)C1 ZINC000621295290 356267183 /nfs/dbraw/zinc/26/71/83/356267183.db2.gz CYDDITNLXUKMQK-NEPJUHHUSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CC(N)=O)C1 ZINC000621295290 356267186 /nfs/dbraw/zinc/26/71/86/356267186.db2.gz CYDDITNLXUKMQK-NEPJUHHUSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000621295290 356267189 /nfs/dbraw/zinc/26/71/89/356267189.db2.gz CYDDITNLXUKMQK-NEPJUHHUSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000621295290 356267192 /nfs/dbraw/zinc/26/71/92/356267192.db2.gz CYDDITNLXUKMQK-NEPJUHHUSA-N 2 1 257.378 -0.115 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000620482991 356244450 /nfs/dbraw/zinc/24/44/50/356244450.db2.gz WKUCQCRQXJVYGA-ZIAGYGMSSA-N 2 1 297.399 -0.625 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000620482991 356244453 /nfs/dbraw/zinc/24/44/53/356244453.db2.gz WKUCQCRQXJVYGA-ZIAGYGMSSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000620482991 356244455 /nfs/dbraw/zinc/24/44/55/356244455.db2.gz WKUCQCRQXJVYGA-ZIAGYGMSSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000620482991 356244459 /nfs/dbraw/zinc/24/44/59/356244459.db2.gz WKUCQCRQXJVYGA-ZIAGYGMSSA-N 2 1 297.399 -0.625 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000620478631 356244758 /nfs/dbraw/zinc/24/47/58/356244758.db2.gz ZRTXEJCCZGZDBF-GXTWGEPZSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000620478631 356244762 /nfs/dbraw/zinc/24/47/62/356244762.db2.gz ZRTXEJCCZGZDBF-GXTWGEPZSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000620478631 356244765 /nfs/dbraw/zinc/24/47/65/356244765.db2.gz ZRTXEJCCZGZDBF-GXTWGEPZSA-N 2 1 281.400 -0.004 20 0 CBADMP CN1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C(C)(C)C1 ZINC000621776869 356283756 /nfs/dbraw/zinc/28/37/56/356283756.db2.gz YNMLLUFNRHGSAX-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP C[N@@H+]1CCN(CCC(=O)N2CC[NH2+]CC2)C(C)(C)C1 ZINC000621776869 356283758 /nfs/dbraw/zinc/28/37/58/356283758.db2.gz YNMLLUFNRHGSAX-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP C[N@H+]1CCN(CCC(=O)N2CC[NH2+]CC2)C(C)(C)C1 ZINC000621776869 356283762 /nfs/dbraw/zinc/28/37/62/356283762.db2.gz YNMLLUFNRHGSAX-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]21 ZINC000375018753 283149049 /nfs/dbraw/zinc/14/90/49/283149049.db2.gz JYHCRYYAKFTAJK-XQQFMLRXSA-N 2 1 267.373 -0.130 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]21 ZINC000375018753 283149054 /nfs/dbraw/zinc/14/90/54/283149054.db2.gz JYHCRYYAKFTAJK-XQQFMLRXSA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CC[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC000375018753 283149058 /nfs/dbraw/zinc/14/90/58/283149058.db2.gz JYHCRYYAKFTAJK-XQQFMLRXSA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CC[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC000375018753 283149060 /nfs/dbraw/zinc/14/90/60/283149060.db2.gz JYHCRYYAKFTAJK-XQQFMLRXSA-N 2 1 267.373 -0.130 20 0 CBADMP CC1(C)CCC[N@@H+](CCNc2nc(N)[nH+]c(N)n2)C1 ZINC000624160595 356399975 /nfs/dbraw/zinc/39/99/75/356399975.db2.gz BMCBEPASJFSTNM-UHFFFAOYSA-N 2 1 265.365 -0.347 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCCNc1nc(N)[nH+]c(N)n1 ZINC000623810186 356377042 /nfs/dbraw/zinc/37/70/42/356377042.db2.gz MPNQBWYUJFYQLA-SECBINFHSA-N 2 1 265.365 -0.205 20 0 CBADMP C[C@@H]1CCCC[N@@H+]1CCCNc1nc(N)nc(N)[nH+]1 ZINC000623810186 356377043 /nfs/dbraw/zinc/37/70/43/356377043.db2.gz MPNQBWYUJFYQLA-SECBINFHSA-N 2 1 265.365 -0.205 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCCNc1nc(N)nc(N)[nH+]1 ZINC000623810186 356377044 /nfs/dbraw/zinc/37/70/44/356377044.db2.gz MPNQBWYUJFYQLA-SECBINFHSA-N 2 1 265.365 -0.205 20 0 CBADMP C[C@@H](CNc1nc(N)[nH+]c(N)n1)[N@H+]1CCC[C@H](C)C1 ZINC000623859100 356378990 /nfs/dbraw/zinc/37/89/90/356378990.db2.gz AWIDDDXDAGICBR-IUCAKERBSA-N 2 1 265.365 -0.349 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNc2nc(N)[nH+]c(N)n2)C1 ZINC000623861454 356379554 /nfs/dbraw/zinc/37/95/54/356379554.db2.gz YNOSHXIUDVFJLD-QMMMGPOBSA-N 2 1 251.338 -0.738 20 0 CBADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000623954366 356384218 /nfs/dbraw/zinc/38/42/18/356384218.db2.gz LGBLHRDKTKPDQM-DTORHVGOSA-N 2 1 265.365 -0.207 20 0 CBADMP C[C@H]1C[N@@H+](CCCNc2nc(N)[nH+]c(N)n2)CCCO1 ZINC000624158547 356400450 /nfs/dbraw/zinc/40/04/50/356400450.db2.gz DTQBZCNHPDCDIW-VIFPVBQESA-N 2 1 281.364 -0.969 20 0 CBADMP C[NH+](C)CCCOC1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000624022459 356389707 /nfs/dbraw/zinc/38/97/07/356389707.db2.gz PXOJXFKAEPNNEN-UHFFFAOYSA-N 2 1 295.391 -0.366 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2nc(N)[nH+]c(N)n2)C1 ZINC000624050129 356392124 /nfs/dbraw/zinc/39/21/24/356392124.db2.gz ZLKOPOHPACYNAT-DTWKUNHWSA-N 2 1 263.349 -0.383 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2nc(N)[nH+]c(N)n2)C1 ZINC000624050131 356392416 /nfs/dbraw/zinc/39/24/16/356392416.db2.gz ZLKOPOHPACYNAT-RKDXNWHRSA-N 2 1 263.349 -0.383 20 0 CBADMP CC(C)[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@H+]1C ZINC000624156177 356400763 /nfs/dbraw/zinc/40/07/63/356400763.db2.gz SPRCTUMJEHAAAX-QMMMGPOBSA-N 2 1 251.338 -0.527 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(c2nc(N)[nH+]c(N)n2)C[C@@H]1C ZINC000624075550 356394651 /nfs/dbraw/zinc/39/46/51/356394651.db2.gz KVBNESSGOJIEIC-JGVFFNPUSA-N 2 1 251.338 -0.384 20 0 CBADMP C[N@H+]1CC[C@@H](Nc2nc(N)[nH+]c(N)n2)[C@@H]1c1ccccc1 ZINC000624068514 356395396 /nfs/dbraw/zinc/39/53/96/356395396.db2.gz YFNVIPVUUAHFAC-MNOVXSKESA-N 2 1 285.355 -0.024 20 0 CBADMP C[NH+](C)CCc1ccc(CNc2nc(N)nc(N)[nH+]2)cc1 ZINC000624149857 356399363 /nfs/dbraw/zinc/39/93/63/356399363.db2.gz YRPOPWMJINHYNL-UHFFFAOYSA-N 2 1 287.371 -0.165 20 0 CBADMP C[NH+](C)C1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000624288546 356410610 /nfs/dbraw/zinc/41/06/10/356410610.db2.gz QAZORTKUMSMYET-UHFFFAOYSA-N 2 1 251.338 -0.597 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)c2nc(N)[nH+]c(N)n2)C1 ZINC000624266407 356408731 /nfs/dbraw/zinc/40/87/31/356408731.db2.gz NARURLARCGKAMV-MRVPVSSYSA-N 2 1 251.338 -0.384 20 0 CBADMP CN(CCOCC[NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000626950443 356558748 /nfs/dbraw/zinc/55/87/48/356558748.db2.gz RFOZNJXWWLLGJH-NSHDSACASA-N 2 1 258.366 -0.303 20 0 CBADMP C[NH2+]CCOCCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000626945583 356558803 /nfs/dbraw/zinc/55/88/03/356558803.db2.gz KJBIDVNJDRBCLI-NSHDSACASA-N 2 1 258.366 -0.384 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000626950234 356559259 /nfs/dbraw/zinc/55/92/59/356559259.db2.gz NJUDQZNCTMHQJR-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626961338 356559494 /nfs/dbraw/zinc/55/94/94/356559494.db2.gz ZDJJMAURAHXZBN-LLVKDONJSA-N 2 1 267.333 -0.521 20 0 CBADMP C[C@@H](CNC(=O)NC[C@H]1COCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000626969971 356560686 /nfs/dbraw/zinc/56/06/86/356560686.db2.gz IVJHFZLNNFHFRM-QWRGUYRKSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000626969967 356561114 /nfs/dbraw/zinc/56/11/14/356561114.db2.gz IVJHFZLNNFHFRM-GHMZBOCLSA-N 2 1 270.377 -0.243 20 0 CBADMP C[NH2+]CCOCCNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000627003899 356565550 /nfs/dbraw/zinc/56/55/50/356565550.db2.gz WPUWIJSNXRVIKT-NWDGAFQWSA-N 2 1 288.392 -0.759 20 0 CBADMP C[NH2+]CCOCCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000627003899 356565552 /nfs/dbraw/zinc/56/55/52/356565552.db2.gz WPUWIJSNXRVIKT-NWDGAFQWSA-N 2 1 288.392 -0.759 20 0 CBADMP C[NH2+]CCOCCNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000627003901 356565950 /nfs/dbraw/zinc/56/59/50/356565950.db2.gz WPUWIJSNXRVIKT-VXGBXAGGSA-N 2 1 288.392 -0.759 20 0 CBADMP C[NH2+]CCOCCNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000627003901 356565956 /nfs/dbraw/zinc/56/59/56/356565956.db2.gz WPUWIJSNXRVIKT-VXGBXAGGSA-N 2 1 288.392 -0.759 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000626982655 356563252 /nfs/dbraw/zinc/56/32/52/356563252.db2.gz OCAGWRPTLBIXJZ-QJPTWQEYSA-N 2 1 270.377 -0.243 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627127365 356588016 /nfs/dbraw/zinc/58/80/16/356588016.db2.gz YGJFNMCHCTUKOL-NWDGAFQWSA-N 2 1 282.388 -0.363 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000627134869 356588102 /nfs/dbraw/zinc/58/81/02/356588102.db2.gz FHCTWZZUVXLIQV-GHMZBOCLSA-N 2 1 256.350 -0.550 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCC1([NH3+])CCOCC1 ZINC000627149999 356589377 /nfs/dbraw/zinc/58/93/77/356589377.db2.gz ALMDXOWRBHHDRV-UHFFFAOYSA-N 2 1 288.392 -0.892 20 0 CBADMP C[NH2+]CCOCCNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000627173920 356593871 /nfs/dbraw/zinc/59/38/71/356593871.db2.gz JVQKRCVVUKTWHM-UHFFFAOYSA-N 2 1 272.393 -0.042 20 0 CBADMP C[C@@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC000627070433 356573725 /nfs/dbraw/zinc/57/37/25/356573725.db2.gz URYLMNZAZLQEDD-AGIUHOORSA-N 2 1 284.404 -0.260 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627077736 356575556 /nfs/dbraw/zinc/57/55/56/356575556.db2.gz IFCORESWDYXSPE-ZGVCCVRISA-N 2 1 282.388 -0.365 20 0 CBADMP C[C@H]1C[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC[NH2+]1 ZINC000627088777 356580690 /nfs/dbraw/zinc/58/06/90/356580690.db2.gz IONBDHMCXBJASR-TUAOUCFPSA-N 2 1 270.377 -0.507 20 0 CBADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627090733 356581632 /nfs/dbraw/zinc/58/16/32/356581632.db2.gz YNHGWCXNBGDKGN-UTUOFQBUSA-N 2 1 270.377 -0.650 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103449 356583657 /nfs/dbraw/zinc/58/36/57/356583657.db2.gz SDFGPGQJYUCBEL-RYUDHWBXSA-N 2 1 270.377 -0.242 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000627107353 356584090 /nfs/dbraw/zinc/58/40/90/356584090.db2.gz XRAAFQPRLAOADS-REWJHTLYSA-N 2 1 296.415 -0.260 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627104906 356584115 /nfs/dbraw/zinc/58/41/15/356584115.db2.gz PVDZKIGAWHAZGF-DCAQKATOSA-N 2 1 258.366 -0.522 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000627126443 356586660 /nfs/dbraw/zinc/58/66/60/356586660.db2.gz FYUONHYHKPMQRB-XQQFMLRXSA-N 2 1 294.399 -0.269 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000627119695 356587139 /nfs/dbraw/zinc/58/71/39/356587139.db2.gz SXVOTCGBUXIRJT-VXGBXAGGSA-N 2 1 282.388 -0.506 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000627227043 356609455 /nfs/dbraw/zinc/60/94/55/356609455.db2.gz YYPPUSHGLVVPHO-NSHDSACASA-N 2 1 268.361 -0.536 20 0 CBADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627250365 356613262 /nfs/dbraw/zinc/61/32/62/356613262.db2.gz JEMLOFHIZWDFDB-CHWSQXEVSA-N 2 1 283.420 -0.327 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627251173 356614186 /nfs/dbraw/zinc/61/41/86/356614186.db2.gz ZIAIFRPKRRINFN-WDEREUQCSA-N 2 1 256.350 -0.944 20 0 CBADMP O=C(NCC[N@@H+]1CC=CCC1)NC[C@H]1COCC[NH2+]1 ZINC000627188862 356599833 /nfs/dbraw/zinc/59/98/33/356599833.db2.gz CVAXMUUZYROUCR-LBPRGKRZSA-N 2 1 268.361 -0.464 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627188756 356600332 /nfs/dbraw/zinc/60/03/32/356600332.db2.gz GCAVPNOHEGEFGI-NSHDSACASA-N 2 1 270.377 -0.290 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C[NH2+]1 ZINC000627205202 356604838 /nfs/dbraw/zinc/60/48/38/356604838.db2.gz NXFOXALNHJQOJS-MDZLAQPJSA-N 2 1 270.377 -0.507 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C[NH2+]1 ZINC000627207733 356605168 /nfs/dbraw/zinc/60/51/68/356605168.db2.gz DELPIAAWEXTADZ-SRVKXCTJSA-N 2 1 270.377 -0.507 20 0 CBADMP C[C@H]1CC[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C[NH2+]1 ZINC000627207735 356605283 /nfs/dbraw/zinc/60/52/83/356605283.db2.gz DELPIAAWEXTADZ-TUAOUCFPSA-N 2 1 270.377 -0.507 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000627349493 356630591 /nfs/dbraw/zinc/63/05/91/356630591.db2.gz PLRCRSVTTIZWNH-WDEREUQCSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000627349564 356631051 /nfs/dbraw/zinc/63/10/51/356631051.db2.gz RNMUARUDDYYJMU-GMTAPVOTSA-N 2 1 280.372 -0.794 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(CC)CC[NH3+] ZINC000627365686 356633396 /nfs/dbraw/zinc/63/33/96/356633396.db2.gz WQFXRPDHWODWBP-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000627258908 356616630 /nfs/dbraw/zinc/61/66/30/356616630.db2.gz JGCZUHKBGAPBAY-MJBXVCDLSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000627258908 356616635 /nfs/dbraw/zinc/61/66/35/356616635.db2.gz JGCZUHKBGAPBAY-MJBXVCDLSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000627258908 356616638 /nfs/dbraw/zinc/61/66/38/356616638.db2.gz JGCZUHKBGAPBAY-MJBXVCDLSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000627258908 356616641 /nfs/dbraw/zinc/61/66/41/356616641.db2.gz JGCZUHKBGAPBAY-MJBXVCDLSA-N 2 1 297.399 -0.625 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000627372153 356635277 /nfs/dbraw/zinc/63/52/77/356635277.db2.gz DQQLXPIGLJWCJR-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000627305298 356622964 /nfs/dbraw/zinc/62/29/64/356622964.db2.gz UGXYBTPQFNTOJY-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000627307450 356623336 /nfs/dbraw/zinc/62/33/36/356623336.db2.gz MEDMRRISXZQMCK-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000627319581 356625819 /nfs/dbraw/zinc/62/58/19/356625819.db2.gz YNKSFXCBDXLIFF-GFCCVEGCSA-N 2 1 294.399 -0.402 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627429003 356645433 /nfs/dbraw/zinc/64/54/33/356645433.db2.gz USFAKOWCTADMQI-SDDRHHMPSA-N 2 1 282.388 -0.547 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CC)CC[NH3+])C1 ZINC000627428316 356645765 /nfs/dbraw/zinc/64/57/65/356645765.db2.gz BUXBXVNCZOYODQ-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627446639 356648291 /nfs/dbraw/zinc/64/82/91/356648291.db2.gz QWSIFDXLRNEKEP-RYUDHWBXSA-N 2 1 294.399 -0.402 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627446640 356648628 /nfs/dbraw/zinc/64/86/28/356648628.db2.gz QWSIFDXLRNEKEP-VXGBXAGGSA-N 2 1 294.399 -0.402 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000627398874 356638981 /nfs/dbraw/zinc/63/89/81/356638981.db2.gz YRVBNFHBNCKCKP-WOPDTQHZSA-N 2 1 280.372 -0.793 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000627506553 356660994 /nfs/dbraw/zinc/66/09/94/356660994.db2.gz XJWQUXCLWKGXEE-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000627506554 356661682 /nfs/dbraw/zinc/66/16/82/356661682.db2.gz XJWQUXCLWKGXEE-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627507063 356661804 /nfs/dbraw/zinc/66/18/04/356661804.db2.gz YTNMZAPUTJPFDV-NWDGAFQWSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC000627476738 356653363 /nfs/dbraw/zinc/65/33/63/356653363.db2.gz KPEBBQITGFWGII-WOPDTQHZSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC000627476735 356653487 /nfs/dbraw/zinc/65/34/87/356653487.db2.gz KPEBBQITGFWGII-GRYCIOLGSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C[NH2+]1 ZINC000627477066 356654201 /nfs/dbraw/zinc/65/42/01/356654201.db2.gz QOBQURFBEUCBMM-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[N@@H+]1C ZINC000627498953 356657272 /nfs/dbraw/zinc/65/72/72/356657272.db2.gz SLNXBEJRTYOKDF-YNEHKIRRSA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[N@H+]1C ZINC000627498953 356657275 /nfs/dbraw/zinc/65/72/75/356657275.db2.gz SLNXBEJRTYOKDF-YNEHKIRRSA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627502446 356659064 /nfs/dbraw/zinc/65/90/64/356659064.db2.gz XJEVYHFRSUSXOA-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627502317 356659202 /nfs/dbraw/zinc/65/92/02/356659202.db2.gz RVNKXWNWFRWRIJ-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000627503458 356659668 /nfs/dbraw/zinc/65/96/68/356659668.db2.gz NJSDCRKEELQFQV-QJPTWQEYSA-N 2 1 296.415 -0.158 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)[C@H]2C1 ZINC000627504548 356660034 /nfs/dbraw/zinc/66/00/34/356660034.db2.gz UPHVZUMVDOKGGB-TUAOUCFPSA-N 2 1 280.372 -0.983 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627504128 356660130 /nfs/dbraw/zinc/66/01/30/356660130.db2.gz WTZBHCZQZJRXMY-YNEHKIRRSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)N1CC[NH+](C)CC1 ZINC000627650411 356667420 /nfs/dbraw/zinc/66/74/20/356667420.db2.gz IIAYWLUGOKRKMP-IGQOVBAYSA-N 2 1 280.416 -0.359 20 0 CBADMP COc1cncc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000629537314 356777578 /nfs/dbraw/zinc/77/75/78/356777578.db2.gz OQZZJTPQVIRRQE-CYBMUJFWSA-N 2 1 277.372 -0.035 20 0 CBADMP COc1cncc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000629537314 356777584 /nfs/dbraw/zinc/77/75/84/356777584.db2.gz OQZZJTPQVIRRQE-CYBMUJFWSA-N 2 1 277.372 -0.035 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CCN1C(=O)CCC1=O ZINC000629571660 356781169 /nfs/dbraw/zinc/78/11/69/356781169.db2.gz OPJQCXCUMIXXLZ-UHFFFAOYSA-N 2 1 257.334 -0.697 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000629170344 356751375 /nfs/dbraw/zinc/75/13/75/356751375.db2.gz XSVAAEWZLACOET-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000629170344 356751377 /nfs/dbraw/zinc/75/13/77/356751377.db2.gz XSVAAEWZLACOET-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000629170344 356751380 /nfs/dbraw/zinc/75/13/80/356751380.db2.gz XSVAAEWZLACOET-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000629170346 356751563 /nfs/dbraw/zinc/75/15/63/356751563.db2.gz XSVAAEWZLACOET-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000629170346 356751566 /nfs/dbraw/zinc/75/15/66/356751566.db2.gz XSVAAEWZLACOET-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000629170346 356751572 /nfs/dbraw/zinc/75/15/72/356751572.db2.gz XSVAAEWZLACOET-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CCN1CCO[C@H](C)C1 ZINC000629572429 356780423 /nfs/dbraw/zinc/78/04/23/356780423.db2.gz SLGURQDYLAJOPB-CYBMUJFWSA-N 2 1 259.394 -0.125 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CCN1CCO[C@@H](C)C1 ZINC000629572430 356780986 /nfs/dbraw/zinc/78/09/86/356780986.db2.gz SLGURQDYLAJOPB-ZDUSSCGKSA-N 2 1 259.394 -0.125 20 0 CBADMP COc1cncc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000629511552 356774768 /nfs/dbraw/zinc/77/47/68/356774768.db2.gz OJUYUUXAAVPJEV-UHFFFAOYSA-N 2 1 265.361 -0.178 20 0 CBADMP COc1cncc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000629511552 356774769 /nfs/dbraw/zinc/77/47/69/356774769.db2.gz OJUYUUXAAVPJEV-UHFFFAOYSA-N 2 1 265.361 -0.178 20 0 CBADMP CC(C)(C)CNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000629510696 356774776 /nfs/dbraw/zinc/77/47/76/356774776.db2.gz DUMCFFCQAIXZEA-GFCCVEGCSA-N 2 1 298.431 -0.064 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCC(C)(C)C ZINC000629511275 356775116 /nfs/dbraw/zinc/77/51/16/356775116.db2.gz MBBRBMRQLUZQNG-UHFFFAOYSA-N 2 1 270.421 -0.014 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCC(C)(C)C ZINC000629511275 356775120 /nfs/dbraw/zinc/77/51/20/356775120.db2.gz MBBRBMRQLUZQNG-UHFFFAOYSA-N 2 1 270.421 -0.014 20 0 CBADMP COC[C@@]1(C)C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629673795 356789187 /nfs/dbraw/zinc/78/91/87/356789187.db2.gz IDOCZVHENYBSCU-DZGCQCFKSA-N 2 1 299.415 -0.079 20 0 CBADMP COC[C@]1(C)C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629673798 356789232 /nfs/dbraw/zinc/78/92/32/356789232.db2.gz IDOCZVHENYBSCU-ZFWWWQNUSA-N 2 1 299.415 -0.079 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000629794694 356793415 /nfs/dbraw/zinc/79/34/15/356793415.db2.gz VAXXSTRRILUHQB-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000629797173 356794163 /nfs/dbraw/zinc/79/41/63/356794163.db2.gz AWVNGKJAIWOZBX-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000629797173 356794166 /nfs/dbraw/zinc/79/41/66/356794166.db2.gz AWVNGKJAIWOZBX-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000629797182 356794554 /nfs/dbraw/zinc/79/45/54/356794554.db2.gz AWVNGKJAIWOZBX-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000629797182 356794557 /nfs/dbraw/zinc/79/45/57/356794557.db2.gz AWVNGKJAIWOZBX-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000629800869 356794891 /nfs/dbraw/zinc/79/48/91/356794891.db2.gz CROHRXCGKLEKOS-LBPRGKRZSA-N 2 1 284.404 -0.406 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000629797957 356795136 /nfs/dbraw/zinc/79/51/36/356795136.db2.gz GXJZCILIDCGINO-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000629801886 356796610 /nfs/dbraw/zinc/79/66/10/356796610.db2.gz DAXXVQFKUNMTSS-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP CC[N@@H+](CC(=O)NCC[NH+]1CC[C@H](O)C1)C1CC1 ZINC000629915149 356807155 /nfs/dbraw/zinc/80/71/55/356807155.db2.gz PBTFOJGDCUOZHI-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+](CC(=O)NCC[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000629915149 356807157 /nfs/dbraw/zinc/80/71/57/356807157.db2.gz PBTFOJGDCUOZHI-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+](CC(=O)NCC[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000629915149 356807159 /nfs/dbraw/zinc/80/71/59/356807159.db2.gz PBTFOJGDCUOZHI-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC000629973875 356813597 /nfs/dbraw/zinc/81/35/97/356813597.db2.gz KHIKEZOFDFUVNF-ZDUSSCGKSA-N 2 1 257.378 -0.101 20 0 CBADMP Cn1cc(N2CC[C@H]([N@H+](C)CCOCC[NH3+])C2=O)cn1 ZINC000629577393 356781595 /nfs/dbraw/zinc/78/15/95/356781595.db2.gz HICIHFQBWOYMOE-LBPRGKRZSA-N 2 1 281.360 -0.568 20 0 CBADMP Cn1cc(N2CC[C@H]([N@@H+](C)CCOCC[NH3+])C2=O)cn1 ZINC000629577393 356781598 /nfs/dbraw/zinc/78/15/98/356781598.db2.gz HICIHFQBWOYMOE-LBPRGKRZSA-N 2 1 281.360 -0.568 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@H+](C)CCOCC[NH3+])C[C@@H](C)O1 ZINC000629573862 356781610 /nfs/dbraw/zinc/78/16/10/356781610.db2.gz DDGAGGOWHPXCNY-VXGBXAGGSA-N 2 1 273.377 -0.471 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CCOCC[NH3+])C[C@@H](C)O1 ZINC000629573862 356781612 /nfs/dbraw/zinc/78/16/12/356781612.db2.gz DDGAGGOWHPXCNY-VXGBXAGGSA-N 2 1 273.377 -0.471 20 0 CBADMP C[N@@H+](CCOCC[NH3+])CCn1nc2ccccn2c1=O ZINC000629578251 356782542 /nfs/dbraw/zinc/78/25/42/356782542.db2.gz IHDKOMXEOCDJDD-UHFFFAOYSA-N 2 1 279.344 -0.597 20 0 CBADMP C[N@H+](CCOCC[NH3+])C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000629578860 356782754 /nfs/dbraw/zinc/78/27/54/356782754.db2.gz WJMOHVRXTVBQHZ-GJZGRUSLSA-N 3 1 281.400 -0.176 20 0 CBADMP C[N@@H+](CCOCC[NH3+])C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000629578860 356782755 /nfs/dbraw/zinc/78/27/55/356782755.db2.gz WJMOHVRXTVBQHZ-GJZGRUSLSA-N 3 1 281.400 -0.176 20 0 CBADMP CCC[C@H](O)[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629584598 356784257 /nfs/dbraw/zinc/78/42/57/356784257.db2.gz TUJFOCTYLSZURE-AGIUHOORSA-N 2 1 260.378 -0.445 20 0 CBADMP NC(=O)C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629583894 356784296 /nfs/dbraw/zinc/78/42/96/356784296.db2.gz KFJVETSHLMRZTP-RYUDHWBXSA-N 2 1 255.362 -0.048 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000629595220 356785064 /nfs/dbraw/zinc/78/50/64/356785064.db2.gz LDIJWBSSCPJYQJ-VXGBXAGGSA-N 2 1 293.433 -0.782 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000629595220 356785065 /nfs/dbraw/zinc/78/50/65/356785065.db2.gz LDIJWBSSCPJYQJ-VXGBXAGGSA-N 2 1 293.433 -0.782 20 0 CBADMP CN1CCOC[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629600078 356785139 /nfs/dbraw/zinc/78/51/39/356785139.db2.gz RHLVXQSGWKWINI-OLZOCXBDSA-N 2 1 257.378 -0.637 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629610027 356787368 /nfs/dbraw/zinc/78/73/68/356787368.db2.gz ZNORLHCQHOZXNL-KGLIPLIRSA-N 2 1 298.431 -0.628 20 0 CBADMP NC(=O)[C@@H]1CCCN1CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629610027 356787372 /nfs/dbraw/zinc/78/73/72/356787372.db2.gz ZNORLHCQHOZXNL-KGLIPLIRSA-N 2 1 298.431 -0.628 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](OC)C[C@@]2(C)C[NH3+])C1 ZINC000630371920 356840447 /nfs/dbraw/zinc/84/04/47/356840447.db2.gz CCHFIINOTICQHH-OBJOEFQTSA-N 2 1 285.388 -0.328 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](OC)C[C@@]2(C)C[NH3+])C1 ZINC000630371920 356840450 /nfs/dbraw/zinc/84/04/50/356840450.db2.gz CCHFIINOTICQHH-OBJOEFQTSA-N 2 1 285.388 -0.328 20 0 CBADMP COCC[NH2+]CCc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000630593551 356853445 /nfs/dbraw/zinc/85/34/45/356853445.db2.gz NQDRALWBUTVJFO-UHFFFAOYSA-N 2 1 277.328 -0.067 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631821155 356908774 /nfs/dbraw/zinc/90/87/74/356908774.db2.gz QJDMEDXJEDLFEO-RYUDHWBXSA-N 2 1 292.387 -0.448 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631821153 356908991 /nfs/dbraw/zinc/90/89/91/356908991.db2.gz QJDMEDXJEDLFEO-NEPJUHHUSA-N 2 1 292.387 -0.448 20 0 CBADMP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000631838196 356911011 /nfs/dbraw/zinc/91/10/11/356911011.db2.gz KJYAFLJLCYBILB-IJLUTSLNSA-N 2 1 255.362 -0.192 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000631838196 356911013 /nfs/dbraw/zinc/91/10/13/356911013.db2.gz KJYAFLJLCYBILB-IJLUTSLNSA-N 2 1 255.362 -0.192 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000631853835 356913017 /nfs/dbraw/zinc/91/30/17/356913017.db2.gz HVCKQSPGKZTASX-MELADBBJSA-N 2 1 280.416 -0.025 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000631853834 356913052 /nfs/dbraw/zinc/91/30/52/356913052.db2.gz HVCKQSPGKZTASX-MCIONIFRSA-N 2 1 280.416 -0.025 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC2CC[NH2+]CC2)CC1 ZINC000631900338 356916774 /nfs/dbraw/zinc/91/67/74/356916774.db2.gz OVJALAKWDMXKMF-UHFFFAOYSA-N 2 1 261.391 -0.248 20 0 CBADMP CCCC[N@@H+](C)CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631919938 356922870 /nfs/dbraw/zinc/92/28/70/356922870.db2.gz PBTRXXUQHVYZRI-LBPRGKRZSA-N 2 1 293.433 -0.374 20 0 CBADMP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000631930811 356925368 /nfs/dbraw/zinc/92/53/68/356925368.db2.gz ZSXJRIDHSCOATD-GRYCIOLGSA-N 2 1 289.401 -0.869 20 0 CBADMP COCC[NH2+]CCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631933222 356926032 /nfs/dbraw/zinc/92/60/32/356926032.db2.gz HBQKHHDPGUTWIQ-UHFFFAOYSA-N 2 1 279.406 -0.764 20 0 CBADMP C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631935063 356927526 /nfs/dbraw/zinc/92/75/26/356927526.db2.gz PKYCLAMACXAKKZ-GHMZBOCLSA-N 2 1 275.418 -0.002 20 0 CBADMP C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631935378 356927805 /nfs/dbraw/zinc/92/78/05/356927805.db2.gz UUTXHDPXGDCUNR-WDEREUQCSA-N 2 1 275.418 -0.002 20 0 CBADMP C[NH2+]CCOCCN(C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631954401 356933859 /nfs/dbraw/zinc/93/38/59/356933859.db2.gz KOPWHZVGVBXWAA-UHFFFAOYSA-N 2 1 293.433 -0.422 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000631954172 356933952 /nfs/dbraw/zinc/93/39/52/356933952.db2.gz DIRPRENOODMVTP-UHFFFAOYSA-N 2 1 291.417 -0.492 20 0 CBADMP C[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC000631965577 356935803 /nfs/dbraw/zinc/93/58/03/356935803.db2.gz DHGLQPBFTRGULG-GHMZBOCLSA-N 2 1 275.418 -0.063 20 0 CBADMP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000631708717 356902186 /nfs/dbraw/zinc/90/21/86/356902186.db2.gz GMYYBJLLRLKRGI-GHMZBOCLSA-N 2 1 263.407 -0.002 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000632538538 357000125 /nfs/dbraw/zinc/00/01/25/357000125.db2.gz OYUGGQBDPRLKAH-NWDGAFQWSA-N 2 1 291.417 -0.981 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)[C@@H]2C1 ZINC000633099981 357045246 /nfs/dbraw/zinc/04/52/46/357045246.db2.gz MJZAAZGIZRMSGH-ZDEQEGDKSA-N 2 1 292.383 -0.888 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000633115307 357049782 /nfs/dbraw/zinc/04/97/82/357049782.db2.gz JGAXKMKDLAWCNJ-NEPJUHHUSA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000633117996 357050162 /nfs/dbraw/zinc/05/01/62/357050162.db2.gz HEBFYGFMVRZXEQ-NNYUYHANSA-N 2 1 280.372 -0.903 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC[N@@H+]1C ZINC000633139896 357051921 /nfs/dbraw/zinc/05/19/21/357051921.db2.gz IHSKCZDKVUFGEN-AVGNSLFASA-N 2 1 296.415 -0.267 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC[N@H+]1C ZINC000633139896 357051922 /nfs/dbraw/zinc/05/19/22/357051922.db2.gz IHSKCZDKVUFGEN-AVGNSLFASA-N 2 1 296.415 -0.267 20 0 CBADMP CCN(C(=O)C(=O)N(C)Cc1ncc[nH]1)[C@H]1CC[N@@H+](C)C1 ZINC000632659611 357014109 /nfs/dbraw/zinc/01/41/09/357014109.db2.gz ABFUJDRODDWVAE-NSHDSACASA-N 2 1 293.371 -0.079 20 0 CBADMP CCN(C(=O)C(=O)N(C)Cc1ncc[nH]1)[C@H]1CCN(C)C1 ZINC000632659611 357014111 /nfs/dbraw/zinc/01/41/11/357014111.db2.gz ABFUJDRODDWVAE-NSHDSACASA-N 2 1 293.371 -0.079 20 0 CBADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000634753071 357133392 /nfs/dbraw/zinc/13/33/92/357133392.db2.gz XZCHFPBXSLOLLQ-GHMZBOCLSA-N 2 1 255.362 -0.131 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000634768434 357134100 /nfs/dbraw/zinc/13/41/00/357134100.db2.gz KDMLXWDHXRMUIY-DYEKYZERSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000634768434 357134102 /nfs/dbraw/zinc/13/41/02/357134102.db2.gz KDMLXWDHXRMUIY-DYEKYZERSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000635525655 357173087 /nfs/dbraw/zinc/17/30/87/357173087.db2.gz JFGPTXCEMXWYRO-RYUDHWBXSA-N 2 1 268.361 -0.536 20 0 CBADMP CC(C)[C@H]1CN(C(=O)CN2CCNCC2=O)CC[N@H+]1C ZINC000634300729 357115578 /nfs/dbraw/zinc/11/55/78/357115578.db2.gz JHVVHSMXIUUARJ-GFCCVEGCSA-N 2 1 282.388 -0.783 20 0 CBADMP C[NH2+]C[C@H](O)CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719888 357129387 /nfs/dbraw/zinc/12/93/87/357129387.db2.gz AXNGGKZWSARGQH-JKSUJKDBSA-N 2 1 293.411 -0.207 20 0 CBADMP C[NH2+]C[C@@H](O)CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719885 357129468 /nfs/dbraw/zinc/12/94/68/357129468.db2.gz AXNGGKZWSARGQH-CVEARBPZSA-N 2 1 293.411 -0.207 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634718577 357129484 /nfs/dbraw/zinc/12/94/84/357129484.db2.gz FTDJVJNERIJMNO-XQQFMLRXSA-N 2 1 260.378 -0.590 20 0 CBADMP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCO ZINC000635823750 357213058 /nfs/dbraw/zinc/21/30/58/357213058.db2.gz UPCWNVNRBIDKAH-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CCO ZINC000635823750 357213063 /nfs/dbraw/zinc/21/30/63/357213063.db2.gz UPCWNVNRBIDKAH-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H](C(=O)N2CC(C[NH+](C)C)C2)O1 ZINC000635974893 357241986 /nfs/dbraw/zinc/24/19/86/357241986.db2.gz DGQZHSONWVZZIV-CMPLNLGQSA-N 2 1 255.362 -0.275 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(C[NH+](C)C)C2)O1 ZINC000635974893 357241989 /nfs/dbraw/zinc/24/19/89/357241989.db2.gz DGQZHSONWVZZIV-CMPLNLGQSA-N 2 1 255.362 -0.275 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+](C)C ZINC000635975274 357242127 /nfs/dbraw/zinc/24/21/27/357242127.db2.gz OHPHGMHOPQGZSE-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000636596604 357292156 /nfs/dbraw/zinc/29/21/56/357292156.db2.gz SUSISALAZONIJA-BFHYXJOUSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000636596604 357292160 /nfs/dbraw/zinc/29/21/60/357292160.db2.gz SUSISALAZONIJA-BFHYXJOUSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000636596604 357292162 /nfs/dbraw/zinc/29/21/62/357292162.db2.gz SUSISALAZONIJA-BFHYXJOUSA-N 2 1 296.415 -0.021 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636665498 357295122 /nfs/dbraw/zinc/29/51/22/357295122.db2.gz LPMZERYTEMFZCJ-RYUDHWBXSA-N 2 1 272.393 -0.308 20 0 CBADMP C[C@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+](C)C1CC1 ZINC000636732864 357299536 /nfs/dbraw/zinc/29/95/36/357299536.db2.gz YBKKNINLVKVGOD-YPMHNXCESA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](CNC(=O)NCC[NH+]1CC[C@H](O)C1)[N@H+](C)C1CC1 ZINC000636732864 357299542 /nfs/dbraw/zinc/29/95/42/357299542.db2.gz YBKKNINLVKVGOD-YPMHNXCESA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](CNC(=O)NCC[NH+]1CC[C@H](O)C1)[N@@H+](C)C1CC1 ZINC000636732864 357299547 /nfs/dbraw/zinc/29/95/47/357299547.db2.gz YBKKNINLVKVGOD-YPMHNXCESA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+](C)C1CC1 ZINC000636732862 357299723 /nfs/dbraw/zinc/29/97/23/357299723.db2.gz YBKKNINLVKVGOD-DGCLKSJQSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](CNC(=O)NCC[NH+]1CC[C@@H](O)C1)[N@H+](C)C1CC1 ZINC000636732862 357299724 /nfs/dbraw/zinc/29/97/24/357299724.db2.gz YBKKNINLVKVGOD-DGCLKSJQSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](CNC(=O)NCC[NH+]1CC[C@@H](O)C1)[N@@H+](C)C1CC1 ZINC000636732862 357299725 /nfs/dbraw/zinc/29/97/25/357299725.db2.gz YBKKNINLVKVGOD-DGCLKSJQSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+](C)C ZINC000635977258 357243093 /nfs/dbraw/zinc/24/30/93/357243093.db2.gz YVQGSYVWXQBDEV-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+](C)C ZINC000635977255 357243251 /nfs/dbraw/zinc/24/32/51/357243251.db2.gz YVQGSYVWXQBDEV-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@H+]1C ZINC000636844691 357307161 /nfs/dbraw/zinc/30/71/61/357307161.db2.gz KYQFEQASYFSJQW-AGIUHOORSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000636844691 357307163 /nfs/dbraw/zinc/30/71/63/357307163.db2.gz KYQFEQASYFSJQW-AGIUHOORSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000636844691 357307167 /nfs/dbraw/zinc/30/71/67/357307167.db2.gz KYQFEQASYFSJQW-AGIUHOORSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@H+]1C ZINC000636844697 357307235 /nfs/dbraw/zinc/30/72/35/357307235.db2.gz KYQFEQASYFSJQW-XQQFMLRXSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000636844697 357307239 /nfs/dbraw/zinc/30/72/39/357307239.db2.gz KYQFEQASYFSJQW-XQQFMLRXSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H]1C[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000636844697 357307243 /nfs/dbraw/zinc/30/72/43/357307243.db2.gz KYQFEQASYFSJQW-XQQFMLRXSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC000636012446 357250677 /nfs/dbraw/zinc/25/06/77/357250677.db2.gz UYVZDJNJUQNRNS-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC000636012446 357250680 /nfs/dbraw/zinc/25/06/80/357250680.db2.gz UYVZDJNJUQNRNS-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636012446 357250687 /nfs/dbraw/zinc/25/06/87/357250687.db2.gz UYVZDJNJUQNRNS-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636012446 357250691 /nfs/dbraw/zinc/25/06/91/357250691.db2.gz UYVZDJNJUQNRNS-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000636047479 357255794 /nfs/dbraw/zinc/25/57/94/357255794.db2.gz KCPSFRIDNNSQKO-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000636140055 357267906 /nfs/dbraw/zinc/26/79/06/357267906.db2.gz MFDIPOCMKKXFOA-RWMBFGLXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000636140055 357267907 /nfs/dbraw/zinc/26/79/07/357267907.db2.gz MFDIPOCMKKXFOA-RWMBFGLXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000636140055 357267908 /nfs/dbraw/zinc/26/79/08/357267908.db2.gz MFDIPOCMKKXFOA-RWMBFGLXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+](C)C ZINC000636256705 357275059 /nfs/dbraw/zinc/27/50/59/357275059.db2.gz WMZRRBMWQRRNSH-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000637823853 357371579 /nfs/dbraw/zinc/37/15/79/357371579.db2.gz JCFVNUCLIFKVDG-STQMWFEESA-N 2 1 282.388 -0.146 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H](C(=O)N(C)CCN2CC[NH2+]CC2)O1 ZINC000637835637 357373620 /nfs/dbraw/zinc/37/36/20/357373620.db2.gz PBUGIOSIQNNCHS-STQMWFEESA-N 2 1 284.404 -0.931 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)N(C)CCN2CC[NH2+]CC2)O1 ZINC000637835637 357373623 /nfs/dbraw/zinc/37/36/23/357373623.db2.gz PBUGIOSIQNNCHS-STQMWFEESA-N 2 1 284.404 -0.931 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000637833487 357374228 /nfs/dbraw/zinc/37/42/28/357374228.db2.gz SXPAMTWTKASEHZ-UHFFFAOYSA-N 2 1 265.361 -0.445 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000636923885 357312273 /nfs/dbraw/zinc/31/22/73/357312273.db2.gz ZUEWBNAACWXYMG-KWCYVHTRSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636923885 357312275 /nfs/dbraw/zinc/31/22/75/357312275.db2.gz ZUEWBNAACWXYMG-KWCYVHTRSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636923885 357312279 /nfs/dbraw/zinc/31/22/79/357312279.db2.gz ZUEWBNAACWXYMG-KWCYVHTRSA-N 2 1 296.415 -0.165 20 0 CBADMP CCn1ccnc1CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000637187129 357329252 /nfs/dbraw/zinc/32/92/52/357329252.db2.gz LBBCPQQWKIUTIZ-NSHDSACASA-N 2 1 281.360 -0.231 20 0 CBADMP CCn1ccnc1CNC(=O)NCCN1CC[C@H](O)C1 ZINC000637187129 357329256 /nfs/dbraw/zinc/32/92/56/357329256.db2.gz LBBCPQQWKIUTIZ-NSHDSACASA-N 2 1 281.360 -0.231 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000637283635 357337381 /nfs/dbraw/zinc/33/73/81/357337381.db2.gz WILINDZGILNGJZ-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000637283635 357337384 /nfs/dbraw/zinc/33/73/84/357337384.db2.gz WILINDZGILNGJZ-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000637283635 357337390 /nfs/dbraw/zinc/33/73/90/357337390.db2.gz WILINDZGILNGJZ-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP O=C(NCC[NH2+]C1CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000637347933 357339403 /nfs/dbraw/zinc/33/94/03/357339403.db2.gz NVCBHCGDBJPBID-CYBMUJFWSA-N 2 1 284.404 -0.116 20 0 CBADMP O=C(NCC[NH2+]C1CC1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000637347758 357339576 /nfs/dbraw/zinc/33/95/76/357339576.db2.gz KBBHLZJQYBCXJF-ZDUSSCGKSA-N 2 1 284.404 -0.116 20 0 CBADMP CC1(C)CN(C(=O)NC[C@H]2CCC[NH2+]2)CC[N@H+]1CCO ZINC000637719178 357362641 /nfs/dbraw/zinc/36/26/41/357362641.db2.gz XCYHDCKKPDGZPO-GFCCVEGCSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000637798619 357365315 /nfs/dbraw/zinc/36/53/15/357365315.db2.gz OJVOKQSBPXJSJE-CYBMUJFWSA-N 2 1 268.405 -0.260 20 0 CBADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000638048909 357405361 /nfs/dbraw/zinc/40/53/61/357405361.db2.gz WUBDMQHEMWYPTC-OCCSQVGLSA-N 2 1 285.388 -0.408 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638054451 357405993 /nfs/dbraw/zinc/40/59/93/357405993.db2.gz DHZWTQJCSIIWCN-RWMBFGLXSA-N 2 1 285.388 -0.424 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638058540 357407415 /nfs/dbraw/zinc/40/74/15/357407415.db2.gz QWOILWLWLYMVJI-UKRRQHHQSA-N 2 1 299.415 -0.162 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000638240272 357442151 /nfs/dbraw/zinc/44/21/51/357442151.db2.gz ICUKSNBRNGHDRS-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638058541 357407956 /nfs/dbraw/zinc/40/79/56/357407956.db2.gz QWOILWLWLYMVJI-ZFWWWQNUSA-N 2 1 299.415 -0.162 20 0 CBADMP [NH3+]C[C@]1(C(=O)NCC[NH+]2CCSCC2)CCCOC1 ZINC000638070048 357409665 /nfs/dbraw/zinc/40/96/65/357409665.db2.gz WHSSSYWPVBRRBT-CYBMUJFWSA-N 2 1 287.429 -0.093 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638070788 357410043 /nfs/dbraw/zinc/41/00/43/357410043.db2.gz AGKMPWZVBXECNU-WDEREUQCSA-N 2 1 259.350 -0.813 20 0 CBADMP C[C@@]1(C(=O)NCC[NH+]2CCSCC2)C[NH2+]CCO1 ZINC000638069148 357410117 /nfs/dbraw/zinc/41/01/17/357410117.db2.gz MZXCOXDAFRUGOF-LBPRGKRZSA-N 2 1 273.402 -0.470 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000638077364 357412059 /nfs/dbraw/zinc/41/20/59/357412059.db2.gz RRFNEXPLKSGVJO-GVXVVHGQSA-N 2 1 255.362 -0.036 20 0 CBADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638078610 357412837 /nfs/dbraw/zinc/41/28/37/357412837.db2.gz DELSISXDILDXCB-UONOGXRCSA-N 2 1 298.431 -0.508 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638242866 357442436 /nfs/dbraw/zinc/44/24/36/357442436.db2.gz IRPJNKYXPIBRJA-IMRBUKKESA-N 2 1 285.388 -0.695 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638100123 357417150 /nfs/dbraw/zinc/41/71/50/357417150.db2.gz OZJSMKHNKRAHQF-JSGCOSHPSA-N 2 1 285.388 -0.408 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638100539 357417331 /nfs/dbraw/zinc/41/73/31/357417331.db2.gz PZIWTPKTVOTGDF-NFAWXSAZSA-N 2 1 299.415 -0.020 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000638100521 357417385 /nfs/dbraw/zinc/41/73/85/357417385.db2.gz PWVLBISLODGIAP-LBPRGKRZSA-N 2 1 293.371 -0.224 20 0 CBADMP O=C(CN1CC[NH2+]CC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000638102975 357417960 /nfs/dbraw/zinc/41/79/60/357417960.db2.gz YFALRXHQXOPWPE-ZDUSSCGKSA-N 2 1 266.389 -0.508 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000638103390 357418319 /nfs/dbraw/zinc/41/83/19/357418319.db2.gz MNWQZKWDBZXVRM-LPWJVIDDSA-N 2 1 283.372 -0.840 20 0 CBADMP C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[NH2+]CCO1 ZINC000638102661 357418720 /nfs/dbraw/zinc/41/87/20/357418720.db2.gz WHPNIRNFIJBBIY-OCCSQVGLSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[NH2+][C@H](C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000638111908 357420381 /nfs/dbraw/zinc/42/03/81/357420381.db2.gz WINBTVCOIVMZQP-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638122086 357422339 /nfs/dbraw/zinc/42/23/39/357422339.db2.gz HTMQVSAQRRQJOM-TZMCWYRMSA-N 2 1 287.404 -0.162 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638127371 357423400 /nfs/dbraw/zinc/42/34/00/357423400.db2.gz VKHUPAOFVLHBCK-DGCLKSJQSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638135919 357423636 /nfs/dbraw/zinc/42/36/36/357423636.db2.gz VSVXWQXGJRKUQN-WCQYABFASA-N 2 1 266.389 -0.510 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638134733 357423914 /nfs/dbraw/zinc/42/39/14/357423914.db2.gz OIFVKIGMXNDBEA-NUGNTBJXSA-N 2 1 253.346 -0.299 20 0 CBADMP CC[NH2+][C@H](C)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000638137617 357424063 /nfs/dbraw/zinc/42/40/63/357424063.db2.gz XDRJRNZNSBWHPW-GFCCVEGCSA-N 2 1 256.394 -0.262 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638134023 357424095 /nfs/dbraw/zinc/42/40/95/357424095.db2.gz LBNJGQRYYBAEQF-OSMZGAPFSA-N 2 1 267.373 -0.036 20 0 CBADMP CCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000638148063 357425955 /nfs/dbraw/zinc/42/59/55/357425955.db2.gz VGCXJEPIPPUBRT-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000638148057 357426341 /nfs/dbraw/zinc/42/63/41/357426341.db2.gz VGCXJEPIPPUBRT-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000638153851 357427663 /nfs/dbraw/zinc/42/76/63/357427663.db2.gz SPLXWHMLBJSYES-GHMZBOCLSA-N 2 1 259.350 -0.942 20 0 CBADMP COCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000638153851 357427664 /nfs/dbraw/zinc/42/76/64/357427664.db2.gz SPLXWHMLBJSYES-GHMZBOCLSA-N 2 1 259.350 -0.942 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638210811 357434882 /nfs/dbraw/zinc/43/48/82/357434882.db2.gz KCLBCVCYNAHHMT-YPMHNXCESA-N 2 1 264.373 -0.091 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638210811 357434887 /nfs/dbraw/zinc/43/48/87/357434887.db2.gz KCLBCVCYNAHHMT-YPMHNXCESA-N 2 1 264.373 -0.091 20 0 CBADMP C[C@H]([NH3+])CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638210810 357435105 /nfs/dbraw/zinc/43/51/05/357435105.db2.gz KCLBCVCYNAHHMT-WCQYABFASA-N 2 1 264.373 -0.091 20 0 CBADMP C[C@H]([NH3+])CNC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638210810 357435112 /nfs/dbraw/zinc/43/51/12/357435112.db2.gz KCLBCVCYNAHHMT-WCQYABFASA-N 2 1 264.373 -0.091 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638228625 357438655 /nfs/dbraw/zinc/43/86/55/357438655.db2.gz HXRVJBDJFMQKMA-CYBMUJFWSA-N 2 1 277.372 -0.302 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638230241 357439097 /nfs/dbraw/zinc/43/90/97/357439097.db2.gz ULILPCCAKBYNCQ-ZDUSSCGKSA-N 2 1 277.372 -0.302 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000637864111 357378706 /nfs/dbraw/zinc/37/87/06/357378706.db2.gz MKTQRZBARVFNOY-LLVKDONJSA-N 2 1 251.334 -0.707 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000637867006 357379603 /nfs/dbraw/zinc/37/96/03/357379603.db2.gz QSKQRXYOPQDATK-QWRGUYRKSA-N 2 1 252.318 -0.234 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCO1 ZINC000637867155 357380303 /nfs/dbraw/zinc/38/03/03/357380303.db2.gz RXPCDJSAIVJYOF-QNWHQSFQSA-N 2 1 283.372 -0.576 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000638266273 357446050 /nfs/dbraw/zinc/44/60/50/357446050.db2.gz PNJOXDFVKLHREG-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CC[NH2+]CC2)C1 ZINC000638287095 357452207 /nfs/dbraw/zinc/45/22/07/357452207.db2.gz UAVJRYWGIUMBRG-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000638333851 357458680 /nfs/dbraw/zinc/45/86/80/357458680.db2.gz VRPNPHZUUMWECQ-CHWSQXEVSA-N 2 1 287.404 -0.223 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000638343937 357460684 /nfs/dbraw/zinc/46/06/84/357460684.db2.gz PZSNTONNZGADTM-NWDGAFQWSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638395637 357466858 /nfs/dbraw/zinc/46/68/58/357466858.db2.gz DFZJUNRXVHZFOJ-IEECTRCBSA-N 2 1 285.388 -0.284 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638395637 357466860 /nfs/dbraw/zinc/46/68/60/357466860.db2.gz DFZJUNRXVHZFOJ-IEECTRCBSA-N 2 1 285.388 -0.284 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000638424727 357473859 /nfs/dbraw/zinc/47/38/59/357473859.db2.gz IXURGVYGSWMGCR-RYUDHWBXSA-N 2 1 254.378 -0.510 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638425556 357474605 /nfs/dbraw/zinc/47/46/05/357474605.db2.gz NFWUJOHHOHOQEJ-WCQYABFASA-N 2 1 255.362 -0.035 20 0 CBADMP [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000638427586 357475865 /nfs/dbraw/zinc/47/58/65/357475865.db2.gz VFWQMAIGGJDWOD-QWHCGFSZSA-N 2 1 264.373 -0.460 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000638438792 357476190 /nfs/dbraw/zinc/47/61/90/357476190.db2.gz CQKBQIXNDLHBGM-AWEZNQCLSA-N 2 1 287.404 -0.161 20 0 CBADMP C[C@]1(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000638439852 357477455 /nfs/dbraw/zinc/47/74/55/357477455.db2.gz LHOTXPHUTJLECZ-GVXVVHGQSA-N 2 1 253.346 -0.282 20 0 CBADMP C[C@]1(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000638439854 357477536 /nfs/dbraw/zinc/47/75/36/357477536.db2.gz LHOTXPHUTJLECZ-MDZLAQPJSA-N 2 1 253.346 -0.282 20 0 CBADMP C[C@]1(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000638439853 357477735 /nfs/dbraw/zinc/47/77/35/357477735.db2.gz LHOTXPHUTJLECZ-LOWVWBTDSA-N 2 1 253.346 -0.282 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638496541 357486185 /nfs/dbraw/zinc/48/61/85/357486185.db2.gz UFOOYOYCXPYKGK-OLZOCXBDSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000638495334 357486233 /nfs/dbraw/zinc/48/62/33/357486233.db2.gz ARBQNJXUFJQDDZ-UTUOFQBUSA-N 2 1 282.388 -0.560 20 0 CBADMP C[C@H]1CC[NH2+][C@@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000638495388 357486340 /nfs/dbraw/zinc/48/63/40/357486340.db2.gz CBGFGJIRJUXNMT-XQQFMLRXSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638542087 357494128 /nfs/dbraw/zinc/49/41/28/357494128.db2.gz YOYAYZYQADIZIL-NSHDSACASA-N 2 1 271.361 -0.669 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638542087 357494130 /nfs/dbraw/zinc/49/41/30/357494130.db2.gz YOYAYZYQADIZIL-NSHDSACASA-N 2 1 271.361 -0.669 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H](C(=O)NCC2([NH3+])CCOCC2)O1 ZINC000638541533 357494851 /nfs/dbraw/zinc/49/48/51/357494851.db2.gz IRZMAJQBYSMARN-QWRGUYRKSA-N 2 1 271.361 -0.670 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)NCC2([NH3+])CCOCC2)O1 ZINC000638541533 357494855 /nfs/dbraw/zinc/49/48/55/357494855.db2.gz IRZMAJQBYSMARN-QWRGUYRKSA-N 2 1 271.361 -0.670 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000638633084 357513666 /nfs/dbraw/zinc/51/36/66/357513666.db2.gz WAIDBKGTGAYASP-NSHDSACASA-N 2 1 255.362 -0.048 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCOCCC[NH3+])C1 ZINC000638660738 357517003 /nfs/dbraw/zinc/51/70/03/357517003.db2.gz IZSXJICXFYHZNB-NSHDSACASA-N 2 1 259.350 -0.811 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCOCCC[NH3+])C1 ZINC000638660738 357517007 /nfs/dbraw/zinc/51/70/07/357517007.db2.gz IZSXJICXFYHZNB-NSHDSACASA-N 2 1 259.350 -0.811 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCCOCCC[NH3+])CC1 ZINC000638661071 357517227 /nfs/dbraw/zinc/51/72/27/357517227.db2.gz KINJRPLEKBZKMI-UHFFFAOYSA-N 2 1 286.420 -0.504 20 0 CBADMP C[C@@H](C(=O)N(C)CCOCC[NH3+])N1CC[NH+](C)CC1 ZINC000638674418 357519121 /nfs/dbraw/zinc/51/91/21/357519121.db2.gz JKMUPIRFHLSCMF-LBPRGKRZSA-N 2 1 272.393 -0.944 20 0 CBADMP C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[NH+](C)CC1 ZINC000638914981 357542687 /nfs/dbraw/zinc/54/26/87/357542687.db2.gz GOFUVMMZTVBZOR-SRVKXCTJSA-N 2 1 252.362 -0.805 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000638914126 357542795 /nfs/dbraw/zinc/54/27/95/357542795.db2.gz MJMDRDIFAHLNCE-STQMWFEESA-N 2 1 266.389 -0.413 20 0 CBADMP C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](C)CC1 ZINC000638924671 357544415 /nfs/dbraw/zinc/54/44/15/357544415.db2.gz BKFQRNQVUVYANA-RWMBFGLXSA-N 2 1 266.389 -0.415 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000639018398 357553235 /nfs/dbraw/zinc/55/32/35/357553235.db2.gz HWTMACGUEIJDOT-OCCSQVGLSA-N 2 1 298.431 -0.116 20 0 CBADMP C[N@H+]1CC[C@]2(CCN(Cc3cnc(N)nc3N)C2)C1 ZINC000639204348 357561853 /nfs/dbraw/zinc/56/18/53/357561853.db2.gz RXIZHWSFXZFKMG-ZDUSSCGKSA-N 2 1 262.361 -0.171 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](OC)C[C@]1(C)CO ZINC000639999913 357626194 /nfs/dbraw/zinc/62/61/94/357626194.db2.gz BBACDSPFTKYJIR-YNEHKIRRSA-N 2 1 260.378 -0.229 20 0 CBADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000639999913 357626199 /nfs/dbraw/zinc/62/61/99/357626199.db2.gz BBACDSPFTKYJIR-YNEHKIRRSA-N 2 1 260.378 -0.229 20 0 CBADMP CCN(C)C[C@H](O)C[N@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000639999913 357626204 /nfs/dbraw/zinc/62/62/04/357626204.db2.gz BBACDSPFTKYJIR-YNEHKIRRSA-N 2 1 260.378 -0.229 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](OC)C[C@]1(C)CO ZINC000639999913 357626209 /nfs/dbraw/zinc/62/62/09/357626209.db2.gz BBACDSPFTKYJIR-YNEHKIRRSA-N 2 1 260.378 -0.229 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](OC)C[C@]1(C)CO ZINC000639999913 357626214 /nfs/dbraw/zinc/62/62/14/357626214.db2.gz BBACDSPFTKYJIR-YNEHKIRRSA-N 2 1 260.378 -0.229 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000639999913 357626220 /nfs/dbraw/zinc/62/62/20/357626220.db2.gz BBACDSPFTKYJIR-YNEHKIRRSA-N 2 1 260.378 -0.229 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000639999913 357626225 /nfs/dbraw/zinc/62/62/25/357626225.db2.gz BBACDSPFTKYJIR-YNEHKIRRSA-N 2 1 260.378 -0.229 20 0 CBADMP CNC(=O)CCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762118 357595893 /nfs/dbraw/zinc/59/58/93/357595893.db2.gz GMDYCRFVTIGJOW-ZDUSSCGKSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639769330 357596961 /nfs/dbraw/zinc/59/69/61/357596961.db2.gz XVWDDEFJZLPCGR-KGLIPLIRSA-N 2 1 273.421 -0.313 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639769327 357597025 /nfs/dbraw/zinc/59/70/25/357597025.db2.gz XVWDDEFJZLPCGR-KBPBESRZSA-N 2 1 273.421 -0.313 20 0 CBADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639841664 357602837 /nfs/dbraw/zinc/60/28/37/357602837.db2.gz XLWXCELRGYFZDL-SDDRHHMPSA-N 2 1 282.388 -0.621 20 0 CBADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639841664 357602840 /nfs/dbraw/zinc/60/28/40/357602840.db2.gz XLWXCELRGYFZDL-SDDRHHMPSA-N 2 1 282.388 -0.621 20 0 CBADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639841664 357602845 /nfs/dbraw/zinc/60/28/45/357602845.db2.gz XLWXCELRGYFZDL-SDDRHHMPSA-N 2 1 282.388 -0.621 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@@H]1CO ZINC000639868203 357613792 /nfs/dbraw/zinc/61/37/92/357613792.db2.gz SOEHRJILLQNHAG-OLZOCXBDSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@@H]1CO ZINC000639868203 357613797 /nfs/dbraw/zinc/61/37/97/357613797.db2.gz SOEHRJILLQNHAG-OLZOCXBDSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@H+](C)C[C@@H]1CO ZINC000639868203 357613801 /nfs/dbraw/zinc/61/38/01/357613801.db2.gz SOEHRJILLQNHAG-OLZOCXBDSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@@H+](C)C[C@@H]1CO ZINC000639868203 357613808 /nfs/dbraw/zinc/61/38/08/357613808.db2.gz SOEHRJILLQNHAG-OLZOCXBDSA-N 2 1 259.394 -0.704 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639943843 357620020 /nfs/dbraw/zinc/62/00/20/357620020.db2.gz GJYVRMDTALGWPB-ZLKJLUDKSA-N 2 1 283.372 -0.716 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639943843 357620025 /nfs/dbraw/zinc/62/00/25/357620025.db2.gz GJYVRMDTALGWPB-ZLKJLUDKSA-N 2 1 283.372 -0.716 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943841 357620174 /nfs/dbraw/zinc/62/01/74/357620174.db2.gz GJYVRMDTALGWPB-HONMWMINSA-N 2 1 283.372 -0.716 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943841 357620178 /nfs/dbraw/zinc/62/01/78/357620178.db2.gz GJYVRMDTALGWPB-HONMWMINSA-N 2 1 283.372 -0.716 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943841 357620181 /nfs/dbraw/zinc/62/01/81/357620181.db2.gz GJYVRMDTALGWPB-HONMWMINSA-N 2 1 283.372 -0.716 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943841 357620183 /nfs/dbraw/zinc/62/01/83/357620183.db2.gz GJYVRMDTALGWPB-HONMWMINSA-N 2 1 283.372 -0.716 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@H](CO)C[NH+]2CCCCC2)CC1 ZINC000640291331 357643007 /nfs/dbraw/zinc/64/30/07/357643007.db2.gz WWCVRJNLMNRRIJ-AWEZNQCLSA-N 2 1 298.431 -0.803 20 0 CBADMP CC1(C)CN(C(=O)NC[C@H]([NH3+])C2CC2)CC[N@H+]1CCO ZINC000640304493 357643270 /nfs/dbraw/zinc/64/32/70/357643270.db2.gz PNAHOKACRLAKQS-LBPRGKRZSA-N 2 1 284.404 -0.178 20 0 CBADMP C[C@H](C[NH3+])NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000640614380 357660062 /nfs/dbraw/zinc/66/00/62/357660062.db2.gz HPVDVCSVTZIWPI-SNVBAGLBSA-N 2 1 258.366 -0.568 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000640051598 357632772 /nfs/dbraw/zinc/63/27/72/357632772.db2.gz ROVCKHIBYOPGAM-CQSZACIVSA-N 2 1 298.431 -0.853 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000640051598 357632777 /nfs/dbraw/zinc/63/27/77/357632777.db2.gz ROVCKHIBYOPGAM-CQSZACIVSA-N 2 1 298.431 -0.853 20 0 CBADMP CC[N@H+](C)C[C@H](O)CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051202 357633233 /nfs/dbraw/zinc/63/32/33/357633233.db2.gz LDXKSUGVAZTKNV-ZDUSSCGKSA-N 2 1 286.420 -0.995 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051202 357633234 /nfs/dbraw/zinc/63/32/34/357633234.db2.gz LDXKSUGVAZTKNV-ZDUSSCGKSA-N 2 1 286.420 -0.995 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641220922 357681852 /nfs/dbraw/zinc/68/18/52/357681852.db2.gz DEZKHHWWOSTEKX-CQSZACIVSA-N 2 1 296.419 -0.962 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641224895 357682466 /nfs/dbraw/zinc/68/24/66/357682466.db2.gz YVBRZOVLABKRKX-GXTWGEPZSA-N 2 1 297.403 -0.631 20 0 CBADMP NS(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000641798642 357742765 /nfs/dbraw/zinc/74/27/65/357742765.db2.gz PAMNNRPTOWNENK-HBNTYKKESA-N 2 1 261.391 -0.276 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1(C)C ZINC000641824187 357745596 /nfs/dbraw/zinc/74/55/96/357745596.db2.gz FBFOEESSTMSCLG-LLVKDONJSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1(C)C ZINC000641824187 357745597 /nfs/dbraw/zinc/74/55/97/357745597.db2.gz FBFOEESSTMSCLG-LLVKDONJSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC[C@H]1[NH3+] ZINC000641824815 357746596 /nfs/dbraw/zinc/74/65/96/357746596.db2.gz NBADEJIRLOZGON-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC[C@H]1[NH3+] ZINC000641824815 357746597 /nfs/dbraw/zinc/74/65/97/357746597.db2.gz NBADEJIRLOZGON-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641824481 357746628 /nfs/dbraw/zinc/74/66/28/357746628.db2.gz JWAMTFZCPQFNIA-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641824481 357746629 /nfs/dbraw/zinc/74/66/29/357746629.db2.gz JWAMTFZCPQFNIA-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643065049 357776221 /nfs/dbraw/zinc/77/62/21/357776221.db2.gz QWIUTAQJNSZWDK-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000641937782 357749196 /nfs/dbraw/zinc/74/91/96/357749196.db2.gz KPIPIKICRUEUBA-GHMZBOCLSA-N 2 1 272.393 -0.180 20 0 CBADMP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000642535618 357756457 /nfs/dbraw/zinc/75/64/57/357756457.db2.gz RFGQSBAXFLMRPT-NWDGAFQWSA-N 2 1 294.399 -0.402 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C[N@H+]1C1CC1 ZINC000642718123 357758928 /nfs/dbraw/zinc/75/89/28/357758928.db2.gz IUGOQUNCRGIRAZ-ZYHUDNBSSA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642732136 357760350 /nfs/dbraw/zinc/76/03/50/357760350.db2.gz DYACQPPGSGSDOZ-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642773406 357760950 /nfs/dbraw/zinc/76/09/50/357760950.db2.gz WOZOENYTXYYOER-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642755909 357761369 /nfs/dbraw/zinc/76/13/69/357761369.db2.gz ZHHNZGSIPYTWFM-NXEZZACHSA-N 2 1 258.366 -0.704 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCC1 ZINC000642785743 357762630 /nfs/dbraw/zinc/76/26/30/357762630.db2.gz GRVXFWOTUSFVJM-LBPRGKRZSA-N 2 1 294.399 -0.416 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000642887380 357764436 /nfs/dbraw/zinc/76/44/36/357764436.db2.gz PHAFHSAZWCHIBY-RYUDHWBXSA-N 2 1 294.399 -0.273 20 0 CBADMP O=C(NCC[NH2+]C1CC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000642887429 357764801 /nfs/dbraw/zinc/76/48/01/357764801.db2.gz XDBCMGFMPAJWAA-STQMWFEESA-N 2 1 294.399 -0.402 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000642909367 357767292 /nfs/dbraw/zinc/76/72/92/357767292.db2.gz LMZPSTXATZKJSE-GRYCIOLGSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000642908930 357767482 /nfs/dbraw/zinc/76/74/82/357767482.db2.gz BTOYNYYJLZMTLQ-MNOVXSKESA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC[N@H+]1C ZINC000642908930 357767485 /nfs/dbraw/zinc/76/74/85/357767485.db2.gz BTOYNYYJLZMTLQ-MNOVXSKESA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000642909550 357767709 /nfs/dbraw/zinc/76/77/09/357767709.db2.gz PABJKDWAGRQQRB-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642911202 357768426 /nfs/dbraw/zinc/76/84/26/357768426.db2.gz YKMHKEOMJLNXSL-QWRGUYRKSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642911202 357768432 /nfs/dbraw/zinc/76/84/32/357768432.db2.gz YKMHKEOMJLNXSL-QWRGUYRKSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000642910411 357768798 /nfs/dbraw/zinc/76/87/98/357768798.db2.gz FUSDUCQEMUXUKF-SNVBAGLBSA-N 2 1 268.361 -0.996 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000642916971 357769429 /nfs/dbraw/zinc/76/94/29/357769429.db2.gz SPYDZSQMOXWMOX-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC[NH2+]C2CC2)C[C@H]1C ZINC000642919253 357770295 /nfs/dbraw/zinc/77/02/95/357770295.db2.gz UTAFEVFMDYSAPK-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC[NH2+]C2CC2)C[C@H]1C ZINC000642919253 357770297 /nfs/dbraw/zinc/77/02/97/357770297.db2.gz UTAFEVFMDYSAPK-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)[C@H]2C1 ZINC000642919381 357770366 /nfs/dbraw/zinc/77/03/66/357770366.db2.gz YQVHLXGCAPKKDN-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP O=C(NCC[NH2+]C1CC1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000642920011 357771584 /nfs/dbraw/zinc/77/15/84/357771584.db2.gz SYJKUVSCFNMSQP-UHFFFAOYSA-N 2 1 294.399 -0.591 20 0 CBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000642940927 357772779 /nfs/dbraw/zinc/77/27/79/357772779.db2.gz IMKZRCARHDXNFI-NEPJUHHUSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000642966920 357773259 /nfs/dbraw/zinc/77/32/59/357773259.db2.gz NBPSPRQUCOMOIY-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000642974868 357773673 /nfs/dbraw/zinc/77/36/73/357773673.db2.gz FYUIKDDSIOAIKM-NSHDSACASA-N 2 1 284.404 -0.170 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000642979362 357774025 /nfs/dbraw/zinc/77/40/25/357774025.db2.gz YPQYYOXGNBOENJ-NSHDSACASA-N 2 1 280.372 -0.709 20 0 CBADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000642988387 357774639 /nfs/dbraw/zinc/77/46/39/357774639.db2.gz HAESEGFULHHZAN-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP 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 357790168 /nfs/dbraw/zinc/79/01/68/357790168.db2.gz CMVXRSQPQDRKOR-MROQNXINSA-N 2 1 294.399 -0.642 20 0 CBADMP 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 357790361 /nfs/dbraw/zinc/79/03/61/357790361.db2.gz CMVXRSQPQDRKOR-ZDEQEGDKSA-N 2 1 294.399 -0.642 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000294720059 199149756 /nfs/dbraw/zinc/14/97/56/199149756.db2.gz FJBSBOWBPRLOQJ-ZETCQYMHSA-N 2 1 273.287 -0.190 20 0 CBADMP C[C@H]1C[C@H](NC(=O)NCCN2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000333422286 291139482 /nfs/dbraw/zinc/13/94/82/291139482.db2.gz SRIHMWXKBNWBAB-STQMWFEESA-N 2 1 295.431 -0.184 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCOCC3CC3)CCN2C1=O ZINC000576528370 335215459 /nfs/dbraw/zinc/21/54/59/335215459.db2.gz GRVVDCXPWZWEHE-VXGBXAGGSA-N 2 1 253.346 -0.343 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000342005974 216186862 /nfs/dbraw/zinc/18/68/62/216186862.db2.gz XCODGCFXKZCFLI-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)N1CC[NH+](C)CC1 ZINC000337428105 283580182 /nfs/dbraw/zinc/58/01/82/283580182.db2.gz XTUWGDRUZZWZMI-JSGCOSHPSA-N 2 1 286.420 -0.949 20 0 CBADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000418699294 296021972 /nfs/dbraw/zinc/02/19/72/296021972.db2.gz DSLSYDPWJXXSND-WRWGMCAJSA-N 2 1 272.393 -0.181 20 0 CBADMP Cn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(=O)n(C)c1=O ZINC000179276079 189182726 /nfs/dbraw/zinc/18/27/26/189182726.db2.gz CIUPZJBGBFBNSD-GFCCVEGCSA-N 2 1 294.399 -0.142 20 0 CBADMP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(=O)n(C)c1=O ZINC000179276079 189182727 /nfs/dbraw/zinc/18/27/27/189182727.db2.gz CIUPZJBGBFBNSD-GFCCVEGCSA-N 2 1 294.399 -0.142 20 0 CBADMP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(=O)n(C)c1=O ZINC000179276079 189182728 /nfs/dbraw/zinc/18/27/28/189182728.db2.gz CIUPZJBGBFBNSD-GFCCVEGCSA-N 2 1 294.399 -0.142 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000549404412 283946578 /nfs/dbraw/zinc/94/65/78/283946578.db2.gz QKTLZLDYBPTPDJ-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000364598972 296137937 /nfs/dbraw/zinc/13/79/37/296137937.db2.gz JRGXGONQCSKVLR-VXGBXAGGSA-N 2 1 285.413 -0.376 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000228477346 189792953 /nfs/dbraw/zinc/79/29/53/189792953.db2.gz KGDFGEQGPIRMFC-HBNTYKKESA-N 2 1 266.345 -0.403 20 0 CBADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)CC1=O ZINC000344048783 217028294 /nfs/dbraw/zinc/02/82/94/217028294.db2.gz NWGZVYKFYGBKJW-OLZOCXBDSA-N 2 1 296.415 -0.536 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCOCC[NH3+])CC1 ZINC000357079763 296181365 /nfs/dbraw/zinc/18/13/65/296181365.db2.gz LLUYATAWLSGDTP-CYBMUJFWSA-N 3 1 273.421 -0.014 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000333070466 205004179 /nfs/dbraw/zinc/00/41/79/205004179.db2.gz UXKVSECEDLZJSV-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP CN1CCC[C@H]1C(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000333070466 205004183 /nfs/dbraw/zinc/00/41/83/205004183.db2.gz UXKVSECEDLZJSV-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174612 372766383 /nfs/dbraw/zinc/76/63/83/372766383.db2.gz YVUAMQCMEJMXFQ-NXEZZACHSA-N 2 1 256.350 -0.109 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000068807930 372767230 /nfs/dbraw/zinc/76/72/30/372767230.db2.gz VFGUULKTPQHEJV-NEPJUHHUSA-N 2 1 254.378 -0.510 20 0 CBADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000353443038 220086084 /nfs/dbraw/zinc/08/60/84/220086084.db2.gz BXDNTHXWUOUPBI-MJBXVCDLSA-N 2 1 282.432 -0.018 20 0 CBADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353441824 220086361 /nfs/dbraw/zinc/08/63/61/220086361.db2.gz QUWURTJYXBPWKS-QWRGUYRKSA-N 2 1 284.404 -0.184 20 0 CBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353441824 220086364 /nfs/dbraw/zinc/08/63/64/220086364.db2.gz QUWURTJYXBPWKS-QWRGUYRKSA-N 2 1 284.404 -0.184 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000131786728 372798372 /nfs/dbraw/zinc/79/83/72/372798372.db2.gz KRFJAVGCYZBZPR-UWVGGRQHSA-N 2 1 266.345 -0.747 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000131786728 372798378 /nfs/dbraw/zinc/79/83/78/372798378.db2.gz KRFJAVGCYZBZPR-UWVGGRQHSA-N 2 1 266.345 -0.747 20 0 CBADMP C[N@H+](CCN1C(=O)CNC1=O)C[C@@H]1CCC[NH+](C)C1 ZINC000152390489 372806850 /nfs/dbraw/zinc/80/68/50/372806850.db2.gz XFLHPMNAMSJLHB-LLVKDONJSA-N 2 1 268.361 -0.188 20 0 CBADMP C[N@@H+](CCN1C(=O)CNC1=O)C[C@@H]1CCC[NH+](C)C1 ZINC000152390489 372806858 /nfs/dbraw/zinc/80/68/58/372806858.db2.gz XFLHPMNAMSJLHB-LLVKDONJSA-N 2 1 268.361 -0.188 20 0 CBADMP C[NH+](CCN1C(=O)CNC1=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000152390489 372806867 /nfs/dbraw/zinc/80/68/67/372806867.db2.gz XFLHPMNAMSJLHB-LLVKDONJSA-N 2 1 268.361 -0.188 20 0 CBADMP C[NH+](CCN1C(=O)CNC1=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152390489 372806876 /nfs/dbraw/zinc/80/68/76/372806876.db2.gz XFLHPMNAMSJLHB-LLVKDONJSA-N 2 1 268.361 -0.188 20 0 CBADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000188213457 372849495 /nfs/dbraw/zinc/84/94/95/372849495.db2.gz WJLMKNXWCWQJID-QJPTWQEYSA-N 2 1 253.346 -0.330 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353471008 220102349 /nfs/dbraw/zinc/10/23/49/220102349.db2.gz RFSJKQRSLLOJAA-GRYCIOLGSA-N 2 1 287.404 -0.036 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353471008 220102351 /nfs/dbraw/zinc/10/23/51/220102351.db2.gz RFSJKQRSLLOJAA-GRYCIOLGSA-N 2 1 287.404 -0.036 20 0 CBADMP COC[C@@]1(C(=O)N2CC[N@H+](C)C[C@H]2C)CC[NH2+]C1 ZINC000261591594 372906491 /nfs/dbraw/zinc/90/64/91/372906491.db2.gz XTWNZIVXFRAVAA-DGCLKSJQSA-N 2 1 255.362 -0.225 20 0 CBADMP COC[C@@]1(C(=O)N2CC[N@@H+](C)C[C@H]2C)CC[NH2+]C1 ZINC000261591594 372906500 /nfs/dbraw/zinc/90/65/00/372906500.db2.gz XTWNZIVXFRAVAA-DGCLKSJQSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)CC1 ZINC000333323529 205217884 /nfs/dbraw/zinc/21/78/84/205217884.db2.gz BKQFRUOISSDBGO-GFCCVEGCSA-N 2 1 292.387 -0.242 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](c3nnc[nH]3)C2)CC1 ZINC000333323529 205217886 /nfs/dbraw/zinc/21/78/86/205217886.db2.gz BKQFRUOISSDBGO-GFCCVEGCSA-N 2 1 292.387 -0.242 20 0 CBADMP C[C@@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)[N@@H+](C)C1CC1 ZINC000333402532 205290245 /nfs/dbraw/zinc/29/02/45/205290245.db2.gz QECIDJLXDMLAHU-NSHDSACASA-N 2 1 282.388 -0.147 20 0 CBADMP C[C@@H]1CN(CC[N@@H+](C)CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000313884374 372969270 /nfs/dbraw/zinc/96/92/70/372969270.db2.gz QBTKVKHFWIAJNC-GASCZTMLSA-N 2 1 284.448 -0.067 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000333417913 205302829 /nfs/dbraw/zinc/30/28/29/205302829.db2.gz SDBQMFNJZGXQPG-RDBSUJKOSA-N 2 1 296.415 -0.042 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000333417910 205302865 /nfs/dbraw/zinc/30/28/65/205302865.db2.gz SDBQMFNJZGXQPG-IHRRRGAJSA-N 2 1 296.415 -0.042 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C[C@@H]1[NH3+] ZINC000332104942 373003262 /nfs/dbraw/zinc/00/32/62/373003262.db2.gz AKPJOCIHYDKQOF-UPJWGTAASA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C[C@@H]1[NH3+] ZINC000332104942 373003270 /nfs/dbraw/zinc/00/32/70/373003270.db2.gz AKPJOCIHYDKQOF-UPJWGTAASA-N 2 1 294.399 -0.511 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000353538624 220143043 /nfs/dbraw/zinc/14/30/43/220143043.db2.gz XTSHZHQMVJFYTA-AGIUHOORSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000339631555 373036505 /nfs/dbraw/zinc/03/65/05/373036505.db2.gz LLWDSJHPJRHPJW-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000333866429 373013383 /nfs/dbraw/zinc/01/33/83/373013383.db2.gz TUXYHNBOMXENJW-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000333941572 373013910 /nfs/dbraw/zinc/01/39/10/373013910.db2.gz PCUMEPARZPKHLO-GFCCVEGCSA-N 2 1 269.393 -0.715 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000342982922 373048238 /nfs/dbraw/zinc/04/82/38/373048238.db2.gz IBOXPNPHCPFSTL-WZRBSPASSA-N 2 1 257.378 -0.387 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000342688361 373047074 /nfs/dbraw/zinc/04/70/74/373047074.db2.gz CJHFHQMMORDDGY-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000348553833 373079948 /nfs/dbraw/zinc/07/99/48/373079948.db2.gz PLUYCSGAXKYYET-UHFFFAOYSA-N 2 1 299.419 -0.599 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000350047994 373093759 /nfs/dbraw/zinc/09/37/59/373093759.db2.gz HLKRIPBLKZJINB-ZDUSSCGKSA-N 2 1 283.420 -0.421 20 0 CBADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@](C)(C(N)=O)C1)C1CC1 ZINC000352357426 373103622 /nfs/dbraw/zinc/10/36/22/373103622.db2.gz MZOCZSGHJUPFEW-WCQYABFASA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@](C)(C(N)=O)C1)C1CC1 ZINC000352357426 373103624 /nfs/dbraw/zinc/10/36/24/373103624.db2.gz MZOCZSGHJUPFEW-WCQYABFASA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1)C1CC1 ZINC000352357426 373103625 /nfs/dbraw/zinc/10/36/25/373103625.db2.gz MZOCZSGHJUPFEW-WCQYABFASA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@](C)(C(N)=O)C1)C1CC1 ZINC000352357426 373103627 /nfs/dbraw/zinc/10/36/27/373103627.db2.gz MZOCZSGHJUPFEW-WCQYABFASA-N 2 1 255.362 -0.361 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000353462836 373112935 /nfs/dbraw/zinc/11/29/35/373112935.db2.gz UAVLIZMTMIBKND-NWDGAFQWSA-N 2 1 273.377 -0.567 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000353471009 373113734 /nfs/dbraw/zinc/11/37/34/373113734.db2.gz RFSJKQRSLLOJAA-IJLUTSLNSA-N 2 1 287.404 -0.036 20 0 CBADMP COC[C@]1(CNC(=O)[C@@H]2[NH2+]CCO[C@@H]2C)CCC[NH2+]1 ZINC000357275412 373167816 /nfs/dbraw/zinc/16/78/16/373167816.db2.gz RISVKYMBDBOIRJ-NQBHXWOUSA-N 2 1 271.361 -0.752 20 0 CBADMP COCCN(CC[NH+](C)C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000360133382 373178247 /nfs/dbraw/zinc/17/82/47/373178247.db2.gz BMZYSCILWGESQS-LBPRGKRZSA-N 2 1 273.377 -0.646 20 0 CBADMP COCCN(CC[NH+](C)C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000360133382 373178254 /nfs/dbraw/zinc/17/82/54/373178254.db2.gz BMZYSCILWGESQS-LBPRGKRZSA-N 2 1 273.377 -0.646 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(CCOC)CC2)C1 ZINC000360418323 373187595 /nfs/dbraw/zinc/18/75/95/373187595.db2.gz JYUVLZHINCNSOO-CYBMUJFWSA-N 2 1 285.388 -0.502 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCN(CCOC)CC2)C1 ZINC000360418323 373187601 /nfs/dbraw/zinc/18/76/01/373187601.db2.gz JYUVLZHINCNSOO-CYBMUJFWSA-N 2 1 285.388 -0.502 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000360482100 373197578 /nfs/dbraw/zinc/19/75/78/373197578.db2.gz CTILALJTQUDCMO-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000360482100 373197587 /nfs/dbraw/zinc/19/75/87/373197587.db2.gz CTILALJTQUDCMO-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000360505211 373202233 /nfs/dbraw/zinc/20/22/33/373202233.db2.gz SWEWLKNPTVUFRX-QMTHXVAHSA-N 2 1 293.371 -0.367 20 0 CBADMP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000360505211 373202239 /nfs/dbraw/zinc/20/22/39/373202239.db2.gz SWEWLKNPTVUFRX-QMTHXVAHSA-N 2 1 293.371 -0.367 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000360505211 373202247 /nfs/dbraw/zinc/20/22/47/373202247.db2.gz SWEWLKNPTVUFRX-QMTHXVAHSA-N 2 1 293.371 -0.367 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000360505210 373202372 /nfs/dbraw/zinc/20/23/72/373202372.db2.gz SWEWLKNPTVUFRX-IINYFYTJSA-N 2 1 293.371 -0.367 20 0 CBADMP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCc3[nH]cnc3C2)C1 ZINC000360505210 373202380 /nfs/dbraw/zinc/20/23/80/373202380.db2.gz SWEWLKNPTVUFRX-IINYFYTJSA-N 2 1 293.371 -0.367 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCc3[nH]cnc3C2)C1 ZINC000360505210 373202390 /nfs/dbraw/zinc/20/23/90/373202390.db2.gz SWEWLKNPTVUFRX-IINYFYTJSA-N 2 1 293.371 -0.367 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360552922 373207062 /nfs/dbraw/zinc/20/70/62/373207062.db2.gz PVRUEFPZEWEKIO-NSHDSACASA-N 2 1 261.391 -0.389 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360552922 373207071 /nfs/dbraw/zinc/20/70/71/373207071.db2.gz PVRUEFPZEWEKIO-NSHDSACASA-N 2 1 261.391 -0.389 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1COC[C@H]1O ZINC000361329379 373277471 /nfs/dbraw/zinc/27/74/71/373277471.db2.gz ZXGYYUXFXMRSSW-QWHCGFSZSA-N 2 1 257.378 -0.685 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000361555610 373306473 /nfs/dbraw/zinc/30/64/73/373306473.db2.gz BKYAPUYRIPKAIV-IUODEOHRSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000361555610 373306483 /nfs/dbraw/zinc/30/64/83/373306483.db2.gz BKYAPUYRIPKAIV-IUODEOHRSA-N 2 1 296.415 -0.264 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2([NH3+])CC2)C1 ZINC000353596353 220181744 /nfs/dbraw/zinc/18/17/44/220181744.db2.gz IRXLJVVIPOQSPW-JTQLQIEISA-N 2 1 268.361 -0.819 20 0 CBADMP C[NH+](C)CC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000344978297 217375156 /nfs/dbraw/zinc/37/51/56/217375156.db2.gz DTTSMLROMZBGFT-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000362869495 373457647 /nfs/dbraw/zinc/45/76/47/373457647.db2.gz WIQJHJIIFDMZSK-IPYPFGDCSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000362869495 373457651 /nfs/dbraw/zinc/45/76/51/373457651.db2.gz WIQJHJIIFDMZSK-IPYPFGDCSA-N 2 1 299.415 -0.617 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362653659 373434679 /nfs/dbraw/zinc/43/46/79/373434679.db2.gz DRRLWSIURVJDLI-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362653659 373434683 /nfs/dbraw/zinc/43/46/83/373434683.db2.gz DRRLWSIURVJDLI-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000363738906 373507304 /nfs/dbraw/zinc/50/73/04/373507304.db2.gz IICOHXHVJMQKJX-WCQYABFASA-N 2 1 255.362 -0.320 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)C(C)C ZINC000398552865 373584816 /nfs/dbraw/zinc/58/48/16/373584816.db2.gz OLMMBYWUJUNMNE-STQMWFEESA-N 2 1 262.394 -0.078 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)C(C)C ZINC000398552865 373584825 /nfs/dbraw/zinc/58/48/25/373584825.db2.gz OLMMBYWUJUNMNE-STQMWFEESA-N 2 1 262.394 -0.078 20 0 CBADMP [NH3+][C@H](C(=O)NCCC[NH+]1CCOCC1)C1CCC1 ZINC000398999464 373585488 /nfs/dbraw/zinc/58/54/88/373585488.db2.gz BUFCUCWWWAPSDH-LBPRGKRZSA-N 2 1 255.362 -0.048 20 0 CBADMP CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369273720 373548285 /nfs/dbraw/zinc/54/82/85/373548285.db2.gz JATLYRNKOBRGSL-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(=O)N(C)CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369273720 373548291 /nfs/dbraw/zinc/54/82/91/373548291.db2.gz JATLYRNKOBRGSL-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP [NH3+]CC1(C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000414716341 373626780 /nfs/dbraw/zinc/62/67/80/373626780.db2.gz SIJGNEDWKYVASQ-LBPRGKRZSA-N 2 1 266.389 -0.379 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417434675 373629095 /nfs/dbraw/zinc/62/90/95/373629095.db2.gz ACCDVZQRMKKUEX-QWRGUYRKSA-N 2 1 258.366 -0.304 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)NCC[C@H](C)[NH3+] ZINC000417097861 373629158 /nfs/dbraw/zinc/62/91/58/373629158.db2.gz XLBYZPHKDJKYSG-NSHDSACASA-N 2 1 260.382 -0.009 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417092460 373629597 /nfs/dbraw/zinc/62/95/97/373629597.db2.gz MBCGXPMDTCITII-GFCCVEGCSA-N 2 1 272.393 -0.009 20 0 CBADMP [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000418405937 373631295 /nfs/dbraw/zinc/63/12/95/373631295.db2.gz RTNDMBUQXPXNSB-CHWSQXEVSA-N 2 1 284.404 -0.130 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418549426 373632994 /nfs/dbraw/zinc/63/29/94/373632994.db2.gz KSNKRIMIRMTVNB-NEPJUHHUSA-N 2 1 272.393 -0.402 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)CC[NH3+])[C@H](C)C1 ZINC000418537392 373633447 /nfs/dbraw/zinc/63/34/47/373633447.db2.gz CUEQCGGXIRNTEE-TUAOUCFPSA-N 2 1 272.393 -0.180 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419029675 373634775 /nfs/dbraw/zinc/63/47/75/373634775.db2.gz RTXLPUFYMNGGJM-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419024904 373635331 /nfs/dbraw/zinc/63/53/31/373635331.db2.gz LGUSZYKCAFWJGZ-FRRDWIJNSA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CC1 ZINC000419114923 373635449 /nfs/dbraw/zinc/63/54/49/373635449.db2.gz XNVUNTOKDLSINJ-TXEJJXNPSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCC[N@H+]1C ZINC000419540862 373637860 /nfs/dbraw/zinc/63/78/60/373637860.db2.gz CSMVMWOBZNKIRM-WOPDTQHZSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCC[N@H+]1C ZINC000419541708 373638016 /nfs/dbraw/zinc/63/80/16/373638016.db2.gz DGBOCSHDVORLBW-UTUOFQBUSA-N 2 1 282.388 -0.465 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419783813 373640550 /nfs/dbraw/zinc/64/05/50/373640550.db2.gz VQMLKNJBVDTBEX-NEPJUHHUSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCC[N@H+]1C ZINC000419566035 373641039 /nfs/dbraw/zinc/64/10/39/373641039.db2.gz ZMPXEBOAGQBGNR-UPJWGTAASA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)NCC[NH3+] ZINC000419813589 373641489 /nfs/dbraw/zinc/64/14/89/373641489.db2.gz GXYLLDKYOKQFQU-PHIMTYICSA-N 2 1 270.377 -0.560 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCC[NH3+] ZINC000419785005 373641759 /nfs/dbraw/zinc/64/17/59/373641759.db2.gz XUFKLBMNWOFVCH-NSHDSACASA-N 2 1 284.404 -0.312 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[NH2+]C ZINC000419861904 373641820 /nfs/dbraw/zinc/64/18/20/373641820.db2.gz AOIYOBLYVZXFNZ-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419959617 373643308 /nfs/dbraw/zinc/64/33/08/373643308.db2.gz RGSUBPQHSMWFSZ-RYUDHWBXSA-N 2 1 284.404 -0.504 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419959617 373643319 /nfs/dbraw/zinc/64/33/19/373643319.db2.gz RGSUBPQHSMWFSZ-RYUDHWBXSA-N 2 1 284.404 -0.504 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419887255 373644222 /nfs/dbraw/zinc/64/42/22/373644222.db2.gz DEXKYOOSKYZYIP-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC[N@@H+]1C ZINC000420007150 373646068 /nfs/dbraw/zinc/64/60/68/373646068.db2.gz SBLDXFJUCVXIND-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC[N@H+]1C ZINC000420007150 373646074 /nfs/dbraw/zinc/64/60/74/373646074.db2.gz SBLDXFJUCVXIND-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336600 373649014 /nfs/dbraw/zinc/64/90/14/373649014.db2.gz IXVYHFDFMLNHRN-WDEREUQCSA-N 2 1 268.361 -0.237 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000423598267 373658927 /nfs/dbraw/zinc/65/89/27/373658927.db2.gz VYJWHNNOSHLDDI-CHWSQXEVSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000423392087 373659360 /nfs/dbraw/zinc/65/93/60/373659360.db2.gz XJKQJGDWERMODE-XQQFMLRXSA-N 2 1 296.415 -0.409 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000423392087 373659367 /nfs/dbraw/zinc/65/93/67/373659367.db2.gz XJKQJGDWERMODE-XQQFMLRXSA-N 2 1 296.415 -0.409 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C[C@@H](C)[NH2+]1 ZINC000423729716 373662067 /nfs/dbraw/zinc/66/20/67/373662067.db2.gz VHDIUFCBMIXJJJ-JHJVBQTASA-N 2 1 296.415 -0.252 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)[C@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC000424179896 373665228 /nfs/dbraw/zinc/66/52/28/373665228.db2.gz ZLDXBPAYSJFYPM-QJPTWQEYSA-N 2 1 253.346 -0.473 20 0 CBADMP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000444351254 373683195 /nfs/dbraw/zinc/68/31/95/373683195.db2.gz JMHJJLZSJYUOAK-OCCSQVGLSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000444351254 373683206 /nfs/dbraw/zinc/68/32/06/373683206.db2.gz JMHJJLZSJYUOAK-OCCSQVGLSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000444351254 373683209 /nfs/dbraw/zinc/68/32/09/373683209.db2.gz JMHJJLZSJYUOAK-OCCSQVGLSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000444351254 373683217 /nfs/dbraw/zinc/68/32/17/373683217.db2.gz JMHJJLZSJYUOAK-OCCSQVGLSA-N 2 1 299.415 -0.379 20 0 CBADMP CN1CCN(C(=O)C[N@@H+]2CCC[C@H](n3ccnn3)C2)CC1 ZINC000514933338 373770758 /nfs/dbraw/zinc/77/07/58/373770758.db2.gz LCOSKUXFEQUYMF-ZDUSSCGKSA-N 2 1 292.387 -0.311 20 0 CBADMP CN1CCN(C(=O)C[N@H+]2CCC[C@H](n3ccnn3)C2)CC1 ZINC000514933338 373770765 /nfs/dbraw/zinc/77/07/65/373770765.db2.gz LCOSKUXFEQUYMF-ZDUSSCGKSA-N 2 1 292.387 -0.311 20 0 CBADMP [NH3+]C1(c2noc(CN3CC[NH2+]CC3=O)n2)CCCC1 ZINC000516288538 373809719 /nfs/dbraw/zinc/80/97/19/373809719.db2.gz KBYAEGDXSNWKCC-UHFFFAOYSA-N 2 1 265.317 -0.271 20 0 CBADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000516555208 373816871 /nfs/dbraw/zinc/81/68/71/373816871.db2.gz JPJYAOLKUDCEHO-ZDUSSCGKSA-N 2 1 296.415 -0.155 20 0 CBADMP NC(=O)c1cnccc1NC[C@H]1CCC[N@H+]1CCCO ZINC000519803312 373824839 /nfs/dbraw/zinc/82/48/39/373824839.db2.gz ZBZVWYHEDGLNMG-LLVKDONJSA-N 2 1 278.356 -0.139 20 0 CBADMP NC(=O)c1c[nH+]ccc1NC[C@H]1CCC[N@H+]1CCCO ZINC000519803312 373824846 /nfs/dbraw/zinc/82/48/46/373824846.db2.gz ZBZVWYHEDGLNMG-LLVKDONJSA-N 2 1 278.356 -0.139 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@@H]1[NH3+] ZINC000515346291 373783129 /nfs/dbraw/zinc/78/31/29/373783129.db2.gz BDCGGWVTSXHPIP-AAEUAGOBSA-N 2 1 294.399 -0.654 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000515619014 373791258 /nfs/dbraw/zinc/79/12/58/373791258.db2.gz FHORZGOSUVJNMO-HZSPNIEDSA-N 2 1 295.431 -0.184 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC[NH+](C)C1CC1 ZINC000524299528 373883434 /nfs/dbraw/zinc/88/34/34/373883434.db2.gz UKGKRGLHIYMHBX-ZDUSSCGKSA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCC[N@H+](C)C1CC1 ZINC000524299528 373883441 /nfs/dbraw/zinc/88/34/41/373883441.db2.gz UKGKRGLHIYMHBX-ZDUSSCGKSA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000524299528 373883446 /nfs/dbraw/zinc/88/34/46/373883446.db2.gz UKGKRGLHIYMHBX-ZDUSSCGKSA-N 2 1 283.420 -0.374 20 0 CBADMP CC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000521611528 373845660 /nfs/dbraw/zinc/84/56/60/373845660.db2.gz DUKOWINYHBMRDG-AAEUAGOBSA-N 2 1 255.362 -0.348 20 0 CBADMP CC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000521611528 373845668 /nfs/dbraw/zinc/84/56/68/373845668.db2.gz DUKOWINYHBMRDG-AAEUAGOBSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000521986557 373853615 /nfs/dbraw/zinc/85/36/15/373853615.db2.gz LNVUHBLYANQEMA-QWRGUYRKSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000521986555 373853995 /nfs/dbraw/zinc/85/39/95/373853995.db2.gz LNVUHBLYANQEMA-GHMZBOCLSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@H](C(=O)N1CCCC[C@@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000522002313 373856008 /nfs/dbraw/zinc/85/60/08/373856008.db2.gz SBQXLVSGIXRQER-CHWSQXEVSA-N 2 1 268.405 -0.038 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000522138505 373860183 /nfs/dbraw/zinc/86/01/83/373860183.db2.gz UQVJJQVXSDGCCS-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000522138505 373860193 /nfs/dbraw/zinc/86/01/93/373860193.db2.gz UQVJJQVXSDGCCS-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000522138505 373860205 /nfs/dbraw/zinc/86/02/05/373860205.db2.gz UQVJJQVXSDGCCS-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000522102672 373860994 /nfs/dbraw/zinc/86/09/94/373860994.db2.gz RJPGIHHWAWBYHK-ZIAGYGMSSA-N 2 1 297.447 -0.127 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000522102672 373860999 /nfs/dbraw/zinc/86/09/99/373860999.db2.gz RJPGIHHWAWBYHK-ZIAGYGMSSA-N 2 1 297.447 -0.127 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000522102672 373861006 /nfs/dbraw/zinc/86/10/06/373861006.db2.gz RJPGIHHWAWBYHK-ZIAGYGMSSA-N 2 1 297.447 -0.127 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000522144820 373861170 /nfs/dbraw/zinc/86/11/70/373861170.db2.gz OWMLDNUNRSBGJI-GFCCVEGCSA-N 2 1 254.378 -0.698 20 0 CBADMP COCCN1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000523663880 373877329 /nfs/dbraw/zinc/87/73/29/373877329.db2.gz URIQLLPCUBUGPJ-GFCCVEGCSA-N 2 1 255.362 -0.271 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000523663880 373877331 /nfs/dbraw/zinc/87/73/31/373877331.db2.gz URIQLLPCUBUGPJ-GFCCVEGCSA-N 2 1 255.362 -0.271 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000523663880 373877336 /nfs/dbraw/zinc/87/73/36/373877336.db2.gz URIQLLPCUBUGPJ-GFCCVEGCSA-N 2 1 255.362 -0.271 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529354183 374010147 /nfs/dbraw/zinc/01/01/47/374010147.db2.gz JUEQARZSUSBKFB-WCQYABFASA-N 2 1 282.388 -0.363 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529354184 374010252 /nfs/dbraw/zinc/01/02/52/374010252.db2.gz JUEQARZSUSBKFB-YPMHNXCESA-N 2 1 282.388 -0.363 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529354801 374010822 /nfs/dbraw/zinc/01/08/22/374010822.db2.gz VMNWADKZRNYOSA-QWHCGFSZSA-N 2 1 296.415 -0.021 20 0 CBADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353670120 220243355 /nfs/dbraw/zinc/24/33/55/220243355.db2.gz YLDXZXKNZYWLNP-MNOVXSKESA-N 2 1 270.377 -0.430 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353670120 220243356 /nfs/dbraw/zinc/24/33/56/220243356.db2.gz YLDXZXKNZYWLNP-MNOVXSKESA-N 2 1 270.377 -0.430 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000529368317 374013110 /nfs/dbraw/zinc/01/31/10/374013110.db2.gz SQZVUIRRDWQCNY-AWEZNQCLSA-N 2 1 278.356 -0.236 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529378563 374019236 /nfs/dbraw/zinc/01/92/36/374019236.db2.gz IYQPSEMANKPNEA-STQMWFEESA-N 2 1 284.404 -0.042 20 0 CBADMP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000529380577 374021975 /nfs/dbraw/zinc/02/19/75/374021975.db2.gz OTDATKLKYCUXHV-LLVKDONJSA-N 2 1 268.361 -0.536 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000530233654 374068992 /nfs/dbraw/zinc/06/89/92/374068992.db2.gz ZRHVNOHWXBEDTQ-CQSZACIVSA-N 2 1 296.415 -0.344 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000530233654 374069001 /nfs/dbraw/zinc/06/90/01/374069001.db2.gz ZRHVNOHWXBEDTQ-CQSZACIVSA-N 2 1 296.415 -0.344 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NCC[NH+](C)C ZINC000552082088 374260805 /nfs/dbraw/zinc/26/08/05/374260805.db2.gz FZGZPNBXKITMFH-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000563718185 374324942 /nfs/dbraw/zinc/32/49/42/374324942.db2.gz RJPKWFSZFADECG-QWRGUYRKSA-N 2 1 269.345 -0.428 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000563718185 374324949 /nfs/dbraw/zinc/32/49/49/374324949.db2.gz RJPKWFSZFADECG-QWRGUYRKSA-N 2 1 269.345 -0.428 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000564740007 374327362 /nfs/dbraw/zinc/32/73/62/374327362.db2.gz MTKFULFAUVMJCB-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000571658935 374336184 /nfs/dbraw/zinc/33/61/84/374336184.db2.gz XJWQUXCLWKGXEE-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)c1ccsc1 ZINC000583253645 374357002 /nfs/dbraw/zinc/35/70/02/374357002.db2.gz ICHPIXVOMDVVBQ-NSHDSACASA-N 2 1 296.396 -0.445 20 0 CBADMP C[C@@H]1COCCN1CC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000583495025 374362887 /nfs/dbraw/zinc/36/28/87/374362887.db2.gz NVANSKCSRGYGMJ-OCCSQVGLSA-N 2 1 271.405 -0.248 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000583753372 374364557 /nfs/dbraw/zinc/36/45/57/374364557.db2.gz XMCIJFBIJVQGTN-TUAOUCFPSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])C[C@@H]21 ZINC000577947010 374346502 /nfs/dbraw/zinc/34/65/02/374346502.db2.gz XURWOKMRMPBMKI-UPJWGTAASA-N 2 1 294.399 -0.511 20 0 CBADMP CN(C)CC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000644226691 374505004 /nfs/dbraw/zinc/50/50/04/374505004.db2.gz ASUZMDHXDCQAFW-UTUOFQBUSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+](C)CC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000644226691 374505016 /nfs/dbraw/zinc/50/50/16/374505016.db2.gz ASUZMDHXDCQAFW-UTUOFQBUSA-N 2 1 255.362 -0.348 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000574516421 335025633 /nfs/dbraw/zinc/02/56/33/335025633.db2.gz BGBPVBWITZSGCA-NSHDSACASA-N 2 1 281.312 -0.147 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCNC1=O)C1CC1 ZINC000644555023 374592651 /nfs/dbraw/zinc/59/26/51/374592651.db2.gz AOPWOGNGTMYCTQ-PWSUYJOCSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCNC1=O)C1CC1 ZINC000644555023 374592656 /nfs/dbraw/zinc/59/26/56/374592656.db2.gz AOPWOGNGTMYCTQ-PWSUYJOCSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCNC1=O)C1CC1 ZINC000644555021 374592925 /nfs/dbraw/zinc/59/29/25/374592925.db2.gz AOPWOGNGTMYCTQ-CMPLNLGQSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCNC1=O)C1CC1 ZINC000644555021 374592931 /nfs/dbraw/zinc/59/29/31/374592931.db2.gz AOPWOGNGTMYCTQ-CMPLNLGQSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CCCN1C(=O)CCC1=O)C1CC1 ZINC000644548068 374593187 /nfs/dbraw/zinc/59/31/87/374593187.db2.gz NCDZZNBDUWMFGK-GFCCVEGCSA-N 2 1 283.372 -0.430 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CCCN1C(=O)CCC1=O)C1CC1 ZINC000644548068 374593193 /nfs/dbraw/zinc/59/31/93/374593193.db2.gz NCDZZNBDUWMFGK-GFCCVEGCSA-N 2 1 283.372 -0.430 20 0 CBADMP CC(C)[C@@H](CNC(=O)COCC[NH3+])[NH+]1CCOCC1 ZINC000645302416 374658197 /nfs/dbraw/zinc/65/81/97/374658197.db2.gz NTKCTRDNTVTWQR-GFCCVEGCSA-N 2 1 273.377 -0.565 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000645685302 374692119 /nfs/dbraw/zinc/69/21/19/374692119.db2.gz ZURFHVIVXYPSCH-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000645684890 374692641 /nfs/dbraw/zinc/69/26/41/374692641.db2.gz LWJVYQVUJBXKQT-SNVBAGLBSA-N 2 1 266.349 -0.549 20 0 CBADMP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000646242892 374762890 /nfs/dbraw/zinc/76/28/90/374762890.db2.gz ITQDXWKLYXXISH-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953214 374716476 /nfs/dbraw/zinc/71/64/76/374716476.db2.gz IVGKYPYKEBIEEY-STQMWFEESA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953157 374716956 /nfs/dbraw/zinc/71/69/56/374716956.db2.gz FLMKBXLPNXJMSQ-STQMWFEESA-N 2 1 294.399 -0.545 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953366 374718142 /nfs/dbraw/zinc/71/81/42/374718142.db2.gz RCXNFJCNHDCNME-CHWSQXEVSA-N 2 1 267.373 -0.035 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000645962159 374720820 /nfs/dbraw/zinc/72/08/20/374720820.db2.gz OTBFMGIQFKBLQH-UHFFFAOYSA-N 2 1 299.415 -0.064 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)COCC[NH3+])C2)CC1 ZINC000645977911 374721185 /nfs/dbraw/zinc/72/11/85/374721185.db2.gz NBDWSIWJWUMCMC-LBPRGKRZSA-N 2 1 284.404 -0.754 20 0 CBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)COCC[NH3+])C2)CC1 ZINC000645977911 374721190 /nfs/dbraw/zinc/72/11/90/374721190.db2.gz NBDWSIWJWUMCMC-LBPRGKRZSA-N 2 1 284.404 -0.754 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000646003211 374725329 /nfs/dbraw/zinc/72/53/29/374725329.db2.gz WMWYLRVVLIOESH-KBPBESRZSA-N 2 1 298.431 -0.411 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009374 374726311 /nfs/dbraw/zinc/72/63/11/374726311.db2.gz FSHFTHSETODBAM-ZIAGYGMSSA-N 2 1 298.431 -0.635 20 0 CBADMP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009604 374727392 /nfs/dbraw/zinc/72/73/92/374727392.db2.gz WUBYQWGQCKGXJG-CHWSQXEVSA-N 2 1 284.404 -0.754 20 0 CBADMP C[NH+]1CCC2(CC1)C[N@H+](CCN1CCNC1=O)CCO2 ZINC000646106676 374740264 /nfs/dbraw/zinc/74/02/64/374740264.db2.gz KYICCNPJUXZOJQ-UHFFFAOYSA-N 2 1 282.388 -0.192 20 0 CBADMP C[NH+]1CCC2(CC1)C[N@@H+](CCN1CCNC1=O)CCO2 ZINC000646106676 374740266 /nfs/dbraw/zinc/74/02/66/374740266.db2.gz KYICCNPJUXZOJQ-UHFFFAOYSA-N 2 1 282.388 -0.192 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104408 374740274 /nfs/dbraw/zinc/74/02/74/374740274.db2.gz LVILWJCZCDGWAS-LBPRGKRZSA-N 2 1 258.362 -0.210 20 0 CBADMP C[C@H](CNC(=O)CN1CC[NH+](C)CC1)C[NH+](C)C ZINC000646605016 374793637 /nfs/dbraw/zinc/79/36/37/374793637.db2.gz YDWTVIXJFKFETF-GFCCVEGCSA-N 2 1 256.394 -0.452 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000647085556 374884840 /nfs/dbraw/zinc/88/48/40/374884840.db2.gz RPXYVKKNGMMPFA-JXQTWKCFSA-N 2 1 298.431 -0.317 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000647095388 374885564 /nfs/dbraw/zinc/88/55/64/374885564.db2.gz WYHFNSNAAAEAKI-LLVKDONJSA-N 2 1 255.362 -0.217 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3C[NH+](C)C[C@H]32)C1 ZINC000646913366 374840747 /nfs/dbraw/zinc/84/07/47/374840747.db2.gz DQSHKZZEZWVFGF-UPJWGTAASA-N 2 1 267.373 -0.130 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3C[NH+](C)C[C@H]32)C1 ZINC000646913366 374840754 /nfs/dbraw/zinc/84/07/54/374840754.db2.gz DQSHKZZEZWVFGF-UPJWGTAASA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)C1 ZINC000646913366 374840761 /nfs/dbraw/zinc/84/07/61/374840761.db2.gz DQSHKZZEZWVFGF-UPJWGTAASA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000646913366 374840767 /nfs/dbraw/zinc/84/07/67/374840767.db2.gz DQSHKZZEZWVFGF-UPJWGTAASA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCN(CC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000646917850 374841748 /nfs/dbraw/zinc/84/17/48/374841748.db2.gz ITTREFAHDGBQML-KGLIPLIRSA-N 2 1 280.416 -0.214 20 0 CBADMP CC[NH+]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000646917849 374841798 /nfs/dbraw/zinc/84/17/98/374841798.db2.gz ITTREFAHDGBQML-KBPBESRZSA-N 2 1 280.416 -0.214 20 0 CBADMP O=C(C[C@@H]1CC[NH2+]C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000646975059 374853807 /nfs/dbraw/zinc/85/38/07/374853807.db2.gz WNIFDOFQOMVGKD-STQMWFEESA-N 2 1 294.399 -0.591 20 0 CBADMP O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000646975056 374854925 /nfs/dbraw/zinc/85/49/25/374854925.db2.gz WNIFDOFQOMVGKD-CHWSQXEVSA-N 2 1 294.399 -0.591 20 0 CBADMP C[N@@H+](CCNC(=O)CNC(=O)C[NH3+])Cc1ccc(F)cc1 ZINC000262353988 190053569 /nfs/dbraw/zinc/05/35/69/190053569.db2.gz FQFPQCQCEUKJFH-UHFFFAOYSA-N 2 1 296.346 -0.551 20 0 CBADMP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CC[NH+]2CCC1CC2 ZINC000357001373 248307247 /nfs/dbraw/zinc/30/72/47/248307247.db2.gz SEKNXYAGXJZRMG-CQSZACIVSA-N 2 1 278.400 -0.317 20 0 CBADMP CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357067547 248315771 /nfs/dbraw/zinc/31/57/71/248315771.db2.gz FHEMPTMTPNQETM-NSHDSACASA-N 2 1 279.406 -0.777 20 0 CBADMP Cc1noc(CN2CC[NH+](CCOCC[NH3+])CC2)n1 ZINC000357079722 248319434 /nfs/dbraw/zinc/31/94/34/248319434.db2.gz LJKIWWYQJJAMEA-UHFFFAOYSA-N 2 1 269.349 -0.529 20 0 CBADMP C[C@H]1C[N@@H+](CCOCC[NH3+])C[C@H]1N1CCOCC1 ZINC000357082082 248320151 /nfs/dbraw/zinc/32/01/51/248320151.db2.gz OOCJJNKGPYKNPE-QWHCGFSZSA-N 2 1 257.378 -0.386 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000357090222 248320831 /nfs/dbraw/zinc/32/08/31/248320831.db2.gz ZYDFZONJTVNEBX-UHFFFAOYSA-N 2 1 298.431 -0.408 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)C[NH+]1CCOCC1 ZINC000357205240 248334435 /nfs/dbraw/zinc/33/44/35/248334435.db2.gz VAAFEDXZGMNKRS-STQMWFEESA-N 2 1 285.388 -0.551 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000357237261 248337166 /nfs/dbraw/zinc/33/71/66/248337166.db2.gz GXVRUMABJOXGJR-LBPRGKRZSA-N 2 1 256.394 -0.275 20 0 CBADMP C[C@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000357249351 248339592 /nfs/dbraw/zinc/33/95/92/248339592.db2.gz SEMRDJANRNHQFP-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP [NH3+]CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000515402399 295234167 /nfs/dbraw/zinc/23/41/67/295234167.db2.gz JSXZVSRSJZDDFM-NWDGAFQWSA-N 2 1 270.377 -0.112 20 0 CBADMP C[N@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653130354 412885229 /nfs/dbraw/zinc/88/52/29/412885229.db2.gz GTSCFZOWOTVSBZ-AAEUAGOBSA-N 2 1 253.346 -0.614 20 0 CBADMP COC(=O)C[C@H]1C(=O)NCC[N@H+]1CC1CC[NH2+]CC1 ZINC000346816792 218022136 /nfs/dbraw/zinc/02/21/36/218022136.db2.gz FLVDMCNPMJUZLZ-NSHDSACASA-N 2 1 269.345 -0.651 20 0 CBADMP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000346816792 218022139 /nfs/dbraw/zinc/02/21/39/218022139.db2.gz FLVDMCNPMJUZLZ-NSHDSACASA-N 2 1 269.345 -0.651 20 0 CBADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(=O)n(C)c1=O ZINC000346863700 218041795 /nfs/dbraw/zinc/04/17/95/218041795.db2.gz XYUWUDZNQNBZEI-CYZMBNFOSA-N 2 1 292.383 -0.357 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CNC(=O)C[NH3+] ZINC000347697185 218326851 /nfs/dbraw/zinc/32/68/51/218326851.db2.gz VDUKUEMFWUYTHP-GFCCVEGCSA-N 2 1 284.404 -0.168 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)C[NH3+])C[C@@H]1C ZINC000167983832 207397546 /nfs/dbraw/zinc/39/75/46/207397546.db2.gz AGBBOEAVOGSUEY-WDEREUQCSA-N 2 1 257.378 -0.115 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(C)(C)C[NH3+])C[C@@H]1C ZINC000167983832 207397550 /nfs/dbraw/zinc/39/75/50/207397550.db2.gz AGBBOEAVOGSUEY-WDEREUQCSA-N 2 1 257.378 -0.115 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417443334 207554581 /nfs/dbraw/zinc/55/45/81/207554581.db2.gz XWYSYIQKVWDJEI-NSHDSACASA-N 2 1 258.366 -0.384 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000349024887 285031906 /nfs/dbraw/zinc/03/19/06/285031906.db2.gz FVGHUWDXCRKQSD-LBPRGKRZSA-N 2 1 285.388 -0.408 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000167263616 285036104 /nfs/dbraw/zinc/03/61/04/285036104.db2.gz GLBYHYRVGNYARK-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187945327 285036641 /nfs/dbraw/zinc/03/66/41/285036641.db2.gz ZQGCLEHTDUCWPB-RWMBFGLXSA-N 2 1 285.388 -0.410 20 0 CBADMP O=C1NC(=O)N2CC[N@@H+](CC3CC[NH2+]CC3)C[C@@H]12 ZINC000346991544 296357103 /nfs/dbraw/zinc/35/71/03/296357103.db2.gz TXFCBXXIACNDHD-JTQLQIEISA-N 2 1 252.318 -0.778 20 0 CBADMP COCC[NH+]1[C@H](C)CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)C[C@H]1C ZINC000189305910 285064243 /nfs/dbraw/zinc/06/42/43/285064243.db2.gz DECJWHRAFYAUMU-YIYPIFLZSA-N 2 1 299.415 -0.069 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000427270794 208058563 /nfs/dbraw/zinc/05/85/63/208058563.db2.gz XZCJLJPGXDTFKU-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[NH+](CCOC)CCC(=O)N1CC[NH+](C)CC1 ZINC000429691395 208132111 /nfs/dbraw/zinc/13/21/11/208132111.db2.gz WQHHYSGJPNDZHC-UHFFFAOYSA-N 2 1 287.404 -0.255 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000430725525 208175397 /nfs/dbraw/zinc/17/53/97/208175397.db2.gz XNFDOCXUCUTDJC-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000430725525 208175403 /nfs/dbraw/zinc/17/54/03/208175403.db2.gz XNFDOCXUCUTDJC-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000430555332 208165654 /nfs/dbraw/zinc/16/56/54/208165654.db2.gz OXRKDAWRUWFRIH-ZDUSSCGKSA-N 2 1 268.361 -0.453 20 0 CBADMP COCCOCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430636398 208167849 /nfs/dbraw/zinc/16/78/49/208167849.db2.gz YLQWECAAHOHAOE-AWEZNQCLSA-N 2 1 299.415 -0.207 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430625214 208168676 /nfs/dbraw/zinc/16/86/76/208168676.db2.gz QAFBUEXXSIBBGC-NSHDSACASA-N 2 1 263.407 -0.143 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430625214 208168682 /nfs/dbraw/zinc/16/86/82/208168682.db2.gz QAFBUEXXSIBBGC-NSHDSACASA-N 2 1 263.407 -0.143 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000430635053 208168769 /nfs/dbraw/zinc/16/87/69/208168769.db2.gz FVFLUMFSDWBKSV-CYBMUJFWSA-N 2 1 296.415 -0.310 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430625213 208170076 /nfs/dbraw/zinc/17/00/76/208170076.db2.gz QAFBUEXXSIBBGC-LLVKDONJSA-N 2 1 263.407 -0.143 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430625213 208170083 /nfs/dbraw/zinc/17/00/83/208170083.db2.gz QAFBUEXXSIBBGC-LLVKDONJSA-N 2 1 263.407 -0.143 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)COC2C[NH2+]C2)C[C@@H]1C ZINC000430707707 208171229 /nfs/dbraw/zinc/17/12/29/208171229.db2.gz QNFZANORAGUZEQ-NSHDSACASA-N 2 1 271.361 -0.846 20 0 CBADMP COCC[N@H+]1CCN(C(=O)COC2C[NH2+]C2)C[C@@H]1C ZINC000430707707 208171234 /nfs/dbraw/zinc/17/12/34/208171234.db2.gz QNFZANORAGUZEQ-NSHDSACASA-N 2 1 271.361 -0.846 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C[C@H]1C ZINC000430709427 208171663 /nfs/dbraw/zinc/17/16/63/208171663.db2.gz XOKJKQTYDOTJKY-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C[C@H]1C ZINC000430709427 208171666 /nfs/dbraw/zinc/17/16/66/208171666.db2.gz XOKJKQTYDOTJKY-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH2+]CC(=O)NCCCn1cc[nH+]c1C ZINC000430751568 208177485 /nfs/dbraw/zinc/17/74/85/208177485.db2.gz XHFLSTKVKQSUNK-UHFFFAOYSA-N 2 1 254.334 -0.066 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000430730864 208178391 /nfs/dbraw/zinc/17/83/91/208178391.db2.gz TZBOASLIACSLNU-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000430755320 208178771 /nfs/dbraw/zinc/17/87/71/208178771.db2.gz IKBOFTFYPSWYQE-GFCCVEGCSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@@H]1CN(C(=O)COC2C[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000430743302 208179800 /nfs/dbraw/zinc/17/98/00/208179800.db2.gz QWQGZZQIALWVCM-VXGBXAGGSA-N 2 1 285.388 -0.722 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000430794314 208182476 /nfs/dbraw/zinc/18/24/76/208182476.db2.gz POHFUHZEZNTRSY-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000430799281 208182880 /nfs/dbraw/zinc/18/28/80/208182880.db2.gz KOHUEVDRPOZKSF-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000430892248 208186638 /nfs/dbraw/zinc/18/66/38/208186638.db2.gz CCEARPIDGKWWFZ-UPJWGTAASA-N 2 1 296.415 -0.183 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000430893105 208187106 /nfs/dbraw/zinc/18/71/06/208187106.db2.gz CXMOHUMMEMOARV-QWHCGFSZSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC[NH2+]C1 ZINC000430891998 208187307 /nfs/dbraw/zinc/18/73/07/208187307.db2.gz YZIOZUFNQCOZDZ-SMDDNHRTSA-N 2 1 282.388 -0.558 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000430891755 208189003 /nfs/dbraw/zinc/18/90/03/208189003.db2.gz WZVJEGFBPVXTEU-RYUDHWBXSA-N 2 1 284.404 -0.455 20 0 CBADMP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430931355 208193261 /nfs/dbraw/zinc/19/32/61/208193261.db2.gz BOXIJEZNBDNCFE-QWHCGFSZSA-N 2 1 268.405 -0.180 20 0 CBADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430931355 208193266 /nfs/dbraw/zinc/19/32/66/208193266.db2.gz BOXIJEZNBDNCFE-QWHCGFSZSA-N 2 1 268.405 -0.180 20 0 CBADMP C[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)CC[C@H]1[NH3+] ZINC000430951162 208193642 /nfs/dbraw/zinc/19/36/42/208193642.db2.gz UPBUHJVUNNTOSC-GHMZBOCLSA-N 2 1 263.407 -0.063 20 0 CBADMP C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)CC[C@H]1[NH3+] ZINC000430951162 208193644 /nfs/dbraw/zinc/19/36/44/208193644.db2.gz UPBUHJVUNNTOSC-GHMZBOCLSA-N 2 1 263.407 -0.063 20 0 CBADMP CN1CC[NH+](CCCNC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000431010812 208197571 /nfs/dbraw/zinc/19/75/71/208197571.db2.gz RSONXCWLONKOTD-AWEZNQCLSA-N 2 1 298.431 -0.491 20 0 CBADMP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000431021165 208197857 /nfs/dbraw/zinc/19/78/57/208197857.db2.gz HOQMOXUYKUKJIY-STQMWFEESA-N 2 1 284.404 -0.883 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000431027488 208198961 /nfs/dbraw/zinc/19/89/61/208198961.db2.gz WPZMFUDFBVUKOZ-KGYLQXTDSA-N 2 1 267.373 -0.036 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000431012791 208199313 /nfs/dbraw/zinc/19/93/13/208199313.db2.gz GWAKPKYXILPVTG-ZDUSSCGKSA-N 2 1 268.405 -0.260 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)C[NH+]1CCOCC1 ZINC000431048021 208201308 /nfs/dbraw/zinc/20/13/08/208201308.db2.gz YZWUHBMTVGTYBI-STQMWFEESA-N 2 1 285.388 -0.551 20 0 CBADMP CC(C)[C@@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000433174756 208241753 /nfs/dbraw/zinc/24/17/53/208241753.db2.gz KHGDNFYPLPJZHS-QWHCGFSZSA-N 2 1 298.431 -0.079 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2C[NH+](C)CCO2)CCCO1 ZINC000432549309 208227032 /nfs/dbraw/zinc/22/70/32/208227032.db2.gz JEZLQMGWQKWMRU-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2C[NH+](C)CCO2)CCCO1 ZINC000432549309 208227040 /nfs/dbraw/zinc/22/70/40/208227040.db2.gz JEZLQMGWQKWMRU-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC000432549309 208227046 /nfs/dbraw/zinc/22/70/46/208227046.db2.gz JEZLQMGWQKWMRU-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC000432549309 208227052 /nfs/dbraw/zinc/22/70/52/208227052.db2.gz JEZLQMGWQKWMRU-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+](C)CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433383913 208245292 /nfs/dbraw/zinc/24/52/92/208245292.db2.gz BUULACYSKOFLBE-LLVKDONJSA-N 2 1 280.376 -0.116 20 0 CBADMP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000433146497 208238741 /nfs/dbraw/zinc/23/87/41/208238741.db2.gz VMZHLGMSAKKHHJ-STQMWFEESA-N 2 1 296.415 -0.360 20 0 CBADMP CC(C)[C@@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000433134307 208239420 /nfs/dbraw/zinc/23/94/20/208239420.db2.gz GNXBUBXXEXLECH-NEPJUHHUSA-N 2 1 284.404 -0.327 20 0 CBADMP CC(C)[C@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000433134310 208240683 /nfs/dbraw/zinc/24/06/83/208240683.db2.gz GNXBUBXXEXLECH-NWDGAFQWSA-N 2 1 284.404 -0.327 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000435091845 208273607 /nfs/dbraw/zinc/27/36/07/208273607.db2.gz OOFNJDFYLGQFHE-HNNXBMFYSA-N 2 1 296.415 -0.344 20 0 CBADMP C[C@@H]([NH3+])CCC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000434679119 208266298 /nfs/dbraw/zinc/26/62/98/208266298.db2.gz AYHBPWKIUMGNQW-NEPJUHHUSA-N 2 1 284.404 -0.183 20 0 CBADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CC(N)=O)c1 ZINC000438878067 208311607 /nfs/dbraw/zinc/31/16/07/208311607.db2.gz BSXPFBKENPROHZ-GFCCVEGCSA-N 2 1 278.356 -0.433 20 0 CBADMP CC[NH+]1CCN(CC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000438682773 208312679 /nfs/dbraw/zinc/31/26/79/208312679.db2.gz SOSDEBUFNALESP-UHFFFAOYSA-N 2 1 298.431 -0.538 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000438882471 208313110 /nfs/dbraw/zinc/31/31/10/208313110.db2.gz JYVQUTAVPHLWFE-LLVKDONJSA-N 2 1 270.377 -0.429 20 0 CBADMP CC[N@H+](CCNS(C)(=O)=O)[C@H]1CCC[NH2+]CC1 ZINC000435614636 208281618 /nfs/dbraw/zinc/28/16/18/208281618.db2.gz NBGDNTYWCJXIJX-NSHDSACASA-N 2 1 263.407 0.000 20 0 CBADMP CC[N@@H+](CCNS(C)(=O)=O)[C@H]1CCC[NH2+]CC1 ZINC000435614636 208281623 /nfs/dbraw/zinc/28/16/23/208281623.db2.gz NBGDNTYWCJXIJX-NSHDSACASA-N 2 1 263.407 0.000 20 0 CBADMP COCCCS(=O)(=O)NCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442757380 208364541 /nfs/dbraw/zinc/36/45/41/208364541.db2.gz GMGBCIYZAUIDHT-NEPJUHHUSA-N 2 1 293.433 -0.389 20 0 CBADMP COCCCS(=O)(=O)NCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442757380 208364546 /nfs/dbraw/zinc/36/45/46/208364546.db2.gz GMGBCIYZAUIDHT-NEPJUHHUSA-N 2 1 293.433 -0.389 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000574812584 335049502 /nfs/dbraw/zinc/04/95/02/335049502.db2.gz WUQZGBNUANTKTR-ONGXEEELSA-N 2 1 292.339 -0.274 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000574857916 335052468 /nfs/dbraw/zinc/05/24/68/335052468.db2.gz KLDZGWZOGRVEAC-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH2+][C@H](C)C2)CC1 ZINC000420343092 220562667 /nfs/dbraw/zinc/56/26/67/220562667.db2.gz YSIJQKZDQRTSGE-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419980817 285256005 /nfs/dbraw/zinc/25/60/05/285256005.db2.gz RJZFNJBXEATJNW-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000420021108 285256150 /nfs/dbraw/zinc/25/61/50/285256150.db2.gz UALRVIBLLUNRPC-VXGBXAGGSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CO ZINC000448853462 285276910 /nfs/dbraw/zinc/27/69/10/285276910.db2.gz PJMKQLQPAYESQZ-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419980816 285285047 /nfs/dbraw/zinc/28/50/47/285285047.db2.gz RJZFNJBXEATJNW-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)CC[NH2+]C)CC1 ZINC000357237108 285317971 /nfs/dbraw/zinc/31/79/71/285317971.db2.gz FELQGPNIIJVVPV-ZDUSSCGKSA-N 2 1 270.421 -0.014 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000575046901 335058711 /nfs/dbraw/zinc/05/87/11/335058711.db2.gz UZPAWJRIZNJECS-QWRGUYRKSA-N 2 1 298.387 -0.482 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000575046901 335058713 /nfs/dbraw/zinc/05/87/13/335058713.db2.gz UZPAWJRIZNJECS-QWRGUYRKSA-N 2 1 298.387 -0.482 20 0 CBADMP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000250569876 285384177 /nfs/dbraw/zinc/38/41/77/285384177.db2.gz DSJYMMLNBUEAAN-GRYCIOLGSA-N 2 1 255.362 -0.097 20 0 CBADMP COC[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000354067789 285386280 /nfs/dbraw/zinc/38/62/80/285386280.db2.gz GHFFQWGABMKHHE-MNOVXSKESA-N 2 1 259.350 -0.813 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@]1(C)CCC(=O)N1)C1CC1 ZINC000575117401 335068363 /nfs/dbraw/zinc/06/83/63/335068363.db2.gz MPOQBOJRCHRMGN-YPMHNXCESA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@]1(C)CCC(=O)N1)C1CC1 ZINC000575117401 335068365 /nfs/dbraw/zinc/06/83/65/335068365.db2.gz MPOQBOJRCHRMGN-YPMHNXCESA-N 2 1 255.362 -0.300 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575124106 335069538 /nfs/dbraw/zinc/06/95/38/335069538.db2.gz OJGUWJTXPGMNHZ-GHMZBOCLSA-N 2 1 268.361 -0.107 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000575123643 335069489 /nfs/dbraw/zinc/06/94/89/335069489.db2.gz RGAXINXZUKJVLT-UONOGXRCSA-N 2 1 296.367 -0.201 20 0 CBADMP COC1(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC[NH2+]CC1 ZINC000246515587 292086603 /nfs/dbraw/zinc/08/66/03/292086603.db2.gz QVCVCKYUMKEMMM-STQMWFEESA-N 2 1 299.415 -0.332 20 0 CBADMP COC1(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC[NH2+]CC1 ZINC000246515587 292086605 /nfs/dbraw/zinc/08/66/05/292086605.db2.gz QVCVCKYUMKEMMM-STQMWFEESA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000377571211 285995540 /nfs/dbraw/zinc/99/55/40/285995540.db2.gz IYIXMPANLYKECN-JGVFFNPUSA-N 2 1 251.277 -0.584 20 0 CBADMP C[C@H](C(=O)N1CC([NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000345291655 298004202 /nfs/dbraw/zinc/00/42/02/298004202.db2.gz BWUPAWDGHXQSSE-LLVKDONJSA-N 2 1 254.378 -0.605 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417760044 292336981 /nfs/dbraw/zinc/33/69/81/292336981.db2.gz XDKYOOPHYNLPPY-MNOVXSKESA-N 2 1 260.382 -0.010 20 0 CBADMP COCCC[N@H+]1CCCN(C(=O)C[C@H](C[NH3+])OC)CC1 ZINC000365224619 292351746 /nfs/dbraw/zinc/35/17/46/292351746.db2.gz XNDMVGTUZSXFJH-CYBMUJFWSA-N 2 1 287.404 -0.079 20 0 CBADMP COCCCS(=O)(=O)NCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442757383 292374040 /nfs/dbraw/zinc/37/40/40/292374040.db2.gz GMGBCIYZAUIDHT-VXGBXAGGSA-N 2 1 293.433 -0.389 20 0 CBADMP COCCCS(=O)(=O)NCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442757383 292374043 /nfs/dbraw/zinc/37/40/43/292374043.db2.gz GMGBCIYZAUIDHT-VXGBXAGGSA-N 2 1 293.433 -0.389 20 0 CBADMP CC[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@H+]1C[C@H](C)O ZINC000430696187 287136526 /nfs/dbraw/zinc/13/65/26/287136526.db2.gz IUNGYQVFXQQRRO-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H](C)[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000353726789 287163496 /nfs/dbraw/zinc/16/34/96/287163496.db2.gz SZCFQRKZRINUKW-QJPTWQEYSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000187950763 287169033 /nfs/dbraw/zinc/16/90/33/287169033.db2.gz JFZPXNLMBKWTID-YIYPIFLZSA-N 2 1 299.415 -0.333 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000187950763 287169035 /nfs/dbraw/zinc/16/90/35/287169035.db2.gz JFZPXNLMBKWTID-YIYPIFLZSA-N 2 1 299.415 -0.333 20 0 CBADMP CCN1CC[NH+](CCC(=O)N(C)CCC[NH3+])CC1 ZINC000037050037 411623864 /nfs/dbraw/zinc/62/38/64/411623864.db2.gz GKPVGASPYMPFMW-UHFFFAOYSA-N 2 1 256.394 -0.179 20 0 CBADMP Cn1cc(C[NH2+]CCC[NH+]2CCCC2)c(=O)n(C)c1=O ZINC000020129200 171017099 /nfs/dbraw/zinc/01/70/99/171017099.db2.gz UELXMOMNUNHYBW-UHFFFAOYSA-N 2 1 280.372 -0.341 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662747994 413991342 /nfs/dbraw/zinc/99/13/42/413991342.db2.gz IOBFIRYGACXKQL-NSHDSACASA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662748569 413991934 /nfs/dbraw/zinc/99/19/34/413991934.db2.gz BMAQREIEKFUBAI-LBPRGKRZSA-N 2 1 267.373 -0.489 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C[NH+]1CCCCC1 ZINC000038042322 174045282 /nfs/dbraw/zinc/04/52/82/174045282.db2.gz METGZMXFLIJFEL-QWRGUYRKSA-N 2 1 270.377 -0.573 20 0 CBADMP C[N@H+](CCN1C(=O)CNC1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746985 174392290 /nfs/dbraw/zinc/39/22/90/174392290.db2.gz MLIOLJWTOMMISK-ZACCUICWSA-N 2 1 266.345 -0.247 20 0 CBADMP C[N@@H+](CCN1C(=O)CNC1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746985 174392292 /nfs/dbraw/zinc/39/22/92/174392292.db2.gz MLIOLJWTOMMISK-ZACCUICWSA-N 2 1 266.345 -0.247 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1C[NH2+]CCO1 ZINC000043708712 175101922 /nfs/dbraw/zinc/10/19/22/175101922.db2.gz QDOWETVYWAKBNI-WOPDTQHZSA-N 2 1 253.346 -0.282 20 0 CBADMP C[NH2+]C[C@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000071146582 176042475 /nfs/dbraw/zinc/04/24/75/176042475.db2.gz XNGWDPOYHUOKMK-SNVBAGLBSA-N 2 1 268.361 -0.142 20 0 CBADMP C[NH2+]C[C@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000071146582 176042476 /nfs/dbraw/zinc/04/24/76/176042476.db2.gz XNGWDPOYHUOKMK-SNVBAGLBSA-N 2 1 268.361 -0.142 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C[NH2+]C1CC1 ZINC000575174065 335075407 /nfs/dbraw/zinc/07/54/07/335075407.db2.gz OLFVWSJLJMPYCZ-LLVKDONJSA-N 2 1 263.345 -0.355 20 0 CBADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000354694005 227073109 /nfs/dbraw/zinc/07/31/09/227073109.db2.gz PSTGQGIQYXMZBW-AAEUAGOBSA-N 2 1 294.399 -0.402 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000081367048 544429363 /nfs/dbraw/zinc/42/93/63/544429363.db2.gz ZWGLKPSKXRDRNP-CHWSQXEVSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000081367048 544429367 /nfs/dbraw/zinc/42/93/67/544429367.db2.gz ZWGLKPSKXRDRNP-CHWSQXEVSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000081367048 544429370 /nfs/dbraw/zinc/42/93/70/544429370.db2.gz ZWGLKPSKXRDRNP-CHWSQXEVSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000081367048 544429377 /nfs/dbraw/zinc/42/93/77/544429377.db2.gz ZWGLKPSKXRDRNP-CHWSQXEVSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000367159415 228151519 /nfs/dbraw/zinc/15/15/19/228151519.db2.gz NXAYGKMSQCYTPW-CQSZACIVSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@H](CO)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000121247447 544450569 /nfs/dbraw/zinc/45/05/69/544450569.db2.gz RETCSFUIMPNYKQ-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](CO)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000121247447 544450570 /nfs/dbraw/zinc/45/05/70/544450570.db2.gz RETCSFUIMPNYKQ-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CN1CCOCC1 ZINC000226871690 544492422 /nfs/dbraw/zinc/49/24/22/544492422.db2.gz CBQJMKPFAQIDAY-RRFJBIMHSA-N 2 1 283.416 -0.104 20 0 CBADMP CC[C@@H]([NH3+])c1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000229946367 544499267 /nfs/dbraw/zinc/49/92/67/544499267.db2.gz DLPNMMKDPZWZPO-SNVBAGLBSA-N 2 1 266.349 -0.538 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000333700945 544545299 /nfs/dbraw/zinc/54/52/99/544545299.db2.gz QUFHDQKRBXYMBD-RWMBFGLXSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000333700945 544545301 /nfs/dbraw/zinc/54/53/01/544545301.db2.gz QUFHDQKRBXYMBD-RWMBFGLXSA-N 2 1 284.404 -0.165 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCOC2(C[NH2+]C2)C1 ZINC000333949261 544546899 /nfs/dbraw/zinc/54/68/99/544546899.db2.gz XCKFCNJJALXWCX-QWHCGFSZSA-N 2 1 294.399 -0.003 20 0 CBADMP CC[C@@H]1C[N@H+](CC(=O)N2CCN(C(C)=O)CC2)CC[C@H]1[NH3+] ZINC000251681822 544514952 /nfs/dbraw/zinc/51/49/52/544514952.db2.gz HZDCWDPDWCJKJW-ZIAGYGMSSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)CC[C@H]1[NH3+] ZINC000251681822 544514956 /nfs/dbraw/zinc/51/49/56/544514956.db2.gz HZDCWDPDWCJKJW-ZIAGYGMSSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CC[C@@]2(C1)CCCN(CC(=O)N1CCNC1=O)C2 ZINC000660653745 419419946 /nfs/dbraw/zinc/41/99/46/419419946.db2.gz VPNNATIEAWBWQW-CQSZACIVSA-N 2 1 280.372 -0.044 20 0 CBADMP CC[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@@H]1[NH3+] ZINC000122771332 419489417 /nfs/dbraw/zinc/48/94/17/419489417.db2.gz VUXCSFCATQLORC-PWSUYJOCSA-N 2 1 280.372 -0.357 20 0 CBADMP CC[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@@H]1[NH3+] ZINC000122771332 419489423 /nfs/dbraw/zinc/48/94/23/419489423.db2.gz VUXCSFCATQLORC-PWSUYJOCSA-N 2 1 280.372 -0.357 20 0 CBADMP Nc1nc(NCC[N@H+]2CC[C@H](O)C2)c2c([nH+]1)CCCC2 ZINC000624778904 419429945 /nfs/dbraw/zinc/42/99/45/419429945.db2.gz MKWOLMHPROBBSJ-JTQLQIEISA-N 2 1 277.372 -0.162 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@H+](C)CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000071150118 419465504 /nfs/dbraw/zinc/46/55/04/419465504.db2.gz HNQWPUCKRDWBHR-OKILXGFUSA-N 2 1 298.431 -0.541 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000071150118 419465510 /nfs/dbraw/zinc/46/55/10/419465510.db2.gz HNQWPUCKRDWBHR-OKILXGFUSA-N 2 1 298.431 -0.541 20 0 CBADMP CC(C)[C@H](C)NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150606 419468938 /nfs/dbraw/zinc/46/89/38/419468938.db2.gz OZPKBBGGQUZODH-ZDUSSCGKSA-N 2 1 270.421 -0.016 20 0 CBADMP CC(C)[C@H](C)NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150606 419468944 /nfs/dbraw/zinc/46/89/44/419468944.db2.gz OZPKBBGGQUZODH-ZDUSSCGKSA-N 2 1 270.421 -0.016 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)C(C)(C)[NH3+])CC1 ZINC000082257255 419469862 /nfs/dbraw/zinc/46/98/62/419469862.db2.gz CEJNAKDZGAVYNH-UHFFFAOYSA-N 2 1 256.394 -0.133 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186704462 419519649 /nfs/dbraw/zinc/51/96/49/419519649.db2.gz TYCQBULQBIPBNZ-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186704462 419519660 /nfs/dbraw/zinc/51/96/60/419519660.db2.gz TYCQBULQBIPBNZ-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](O)[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000661765076 419526042 /nfs/dbraw/zinc/52/60/42/419526042.db2.gz MKEUCXNETZFWBN-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](O)[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000661765076 419526049 /nfs/dbraw/zinc/52/60/49/419526049.db2.gz MKEUCXNETZFWBN-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000661826820 419529265 /nfs/dbraw/zinc/52/92/65/419529265.db2.gz KGTYWDFGCRFUOR-JHJVBQTASA-N 2 1 272.389 -0.181 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000661826820 419529277 /nfs/dbraw/zinc/52/92/77/419529277.db2.gz KGTYWDFGCRFUOR-JHJVBQTASA-N 2 1 272.389 -0.181 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CCC([NH+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000662150681 419549436 /nfs/dbraw/zinc/54/94/36/419549436.db2.gz ACHBBNZUTMXBBI-JKSUJKDBSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+](C[C@@H](O)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000662150681 419549443 /nfs/dbraw/zinc/54/94/43/419549443.db2.gz ACHBBNZUTMXBBI-JKSUJKDBSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+](C[C@@H](O)CN1CCC([N@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000662150681 419549447 /nfs/dbraw/zinc/54/94/47/419549447.db2.gz ACHBBNZUTMXBBI-JKSUJKDBSA-N 2 1 297.443 -0.028 20 0 CBADMP OCC[N@@H+](CCN1CCOCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662261408 419568456 /nfs/dbraw/zinc/56/84/56/419568456.db2.gz XKNLQQRHBKFCHQ-CQSZACIVSA-N 2 1 299.415 -0.866 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000389758299 544577139 /nfs/dbraw/zinc/57/71/39/544577139.db2.gz SAJSAWKQLXEOGF-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394377591 544578842 /nfs/dbraw/zinc/57/88/42/544578842.db2.gz DMIDEXCTFSWMSD-UONOGXRCSA-N 2 1 280.416 -0.118 20 0 CBADMP CC[N@H+]1CCN(C[C@@H](O)C[NH+](C)CCOC)C[C@H]1C ZINC000388954265 544577358 /nfs/dbraw/zinc/57/73/58/544577358.db2.gz ZRUZEEYWCJRVIV-KGLIPLIRSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+]1CCN(C[C@@H](O)C[N@H+](C)CCOC)C[C@H]1C ZINC000388954265 544577363 /nfs/dbraw/zinc/57/73/63/544577363.db2.gz ZRUZEEYWCJRVIV-KGLIPLIRSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)C[C@H]1C ZINC000388954265 544577367 /nfs/dbraw/zinc/57/73/67/544577367.db2.gz ZRUZEEYWCJRVIV-KGLIPLIRSA-N 2 1 273.421 -0.049 20 0 CBADMP CN1CCC[C@H]([N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662245196 419559801 /nfs/dbraw/zinc/55/98/01/419559801.db2.gz RZZIMJLYIOXLTG-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP O=C1NCCN1[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253716 419560681 /nfs/dbraw/zinc/56/06/81/419560681.db2.gz JZTTVTJLKAPNFK-QWHCGFSZSA-N 2 1 294.399 -0.003 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662247728 419560847 /nfs/dbraw/zinc/56/08/47/419560847.db2.gz ZHWUIGYHLUBYSM-ZDUSSCGKSA-N 3 1 268.405 -0.656 20 0 CBADMP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394377593 544578240 /nfs/dbraw/zinc/57/82/40/544578240.db2.gz DMIDEXCTFSWMSD-ZIAGYGMSSA-N 2 1 280.416 -0.118 20 0 CBADMP NC(=O)[C@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249489 419561308 /nfs/dbraw/zinc/56/13/08/419561308.db2.gz VNTYVWRICIJQHY-GHMZBOCLSA-N 2 1 253.346 -0.153 20 0 CBADMP COCC[N@@H+](CC(=O)N(C)C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251596 419561496 /nfs/dbraw/zinc/56/14/96/419561496.db2.gz GCBDPEMLVAYMFO-LBPRGKRZSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@H+](CC(=O)N(C)C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251596 419561503 /nfs/dbraw/zinc/56/15/03/419561503.db2.gz GCBDPEMLVAYMFO-LBPRGKRZSA-N 2 1 285.388 -0.456 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000389564089 544577612 /nfs/dbraw/zinc/57/76/12/544577612.db2.gz CTOYOUOQVRBCIB-SNVBAGLBSA-N 2 1 266.349 -0.549 20 0 CBADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259332 419565949 /nfs/dbraw/zinc/56/59/49/419565949.db2.gz VDOCUWHQXKEXFG-GHMZBOCLSA-N 2 1 255.362 -0.179 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000130293322 419496970 /nfs/dbraw/zinc/49/69/70/419496970.db2.gz XKMRLHJLYXBTMP-KBPBESRZSA-N 2 1 297.399 -0.312 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1cnc(N)n1 ZINC000633613942 419505052 /nfs/dbraw/zinc/50/50/52/419505052.db2.gz IJQWISYMLGUSLX-NSHDSACASA-N 2 1 297.407 -0.752 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1cnc(N)n1 ZINC000633613942 419505062 /nfs/dbraw/zinc/50/50/62/419505062.db2.gz IJQWISYMLGUSLX-NSHDSACASA-N 2 1 297.407 -0.752 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H]1COCCO1 ZINC000661612271 419506722 /nfs/dbraw/zinc/50/67/22/419506722.db2.gz PMOVDCMQPHZODQ-ZDUSSCGKSA-N 2 1 285.388 -0.502 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H]1COCCO1 ZINC000661612271 419506725 /nfs/dbraw/zinc/50/67/25/419506725.db2.gz PMOVDCMQPHZODQ-ZDUSSCGKSA-N 2 1 285.388 -0.502 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1CCCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000647705794 419634363 /nfs/dbraw/zinc/63/43/63/419634363.db2.gz NSIPEIMVIUDADA-QWHCGFSZSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000647689054 419634865 /nfs/dbraw/zinc/63/48/65/419634865.db2.gz OTWIWRRLRQUYLW-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP C([C@@H]1CCN(C[C@H]2C[NH2+]CCO2)C1)[NH+]1CCOCC1 ZINC000662263491 419569199 /nfs/dbraw/zinc/56/91/99/419569199.db2.gz MNDXCIBOPVWCAX-UONOGXRCSA-N 2 1 269.389 -0.371 20 0 CBADMP c1cnc(N[C@H]2CC[N@H+](C[C@H]3CNCCO3)C2)nc1 ZINC000662282292 419575156 /nfs/dbraw/zinc/57/51/56/419575156.db2.gz FNSDJQIIQZBILV-NWDGAFQWSA-N 2 1 263.345 -0.049 20 0 CBADMP C[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CCC[NH2+]C1 ZINC000394381767 544580936 /nfs/dbraw/zinc/58/09/36/544580936.db2.gz SWLUYRFYIOUCHI-HIFRSBDPSA-N 2 1 280.416 -0.118 20 0 CBADMP COC[C@@]1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC[NH2+]C1 ZINC000394396596 544581041 /nfs/dbraw/zinc/58/10/41/544581041.db2.gz BPTBZFSFQHZWFA-DZGCQCFKSA-N 2 1 296.415 -0.881 20 0 CBADMP C[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000237585613 419579981 /nfs/dbraw/zinc/57/99/81/419579981.db2.gz ZPEWPAXGGYTTJB-ZFWWWQNUSA-N 2 1 282.432 -0.014 20 0 CBADMP O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394384396 544581587 /nfs/dbraw/zinc/58/15/87/544581587.db2.gz JCWJRBQURFFMLA-OLZOCXBDSA-N 2 1 266.389 -0.365 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662317746 419583670 /nfs/dbraw/zinc/58/36/70/419583670.db2.gz RPCPONRKGOQLBL-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@H]1CCC[NH2+]1 ZINC000394382533 544582048 /nfs/dbraw/zinc/58/20/48/544582048.db2.gz RYIGJTTXXFRJBD-NWDGAFQWSA-N 2 1 252.362 -0.756 20 0 CBADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCN1S(C)(=O)=O ZINC000662310269 419586196 /nfs/dbraw/zinc/58/61/96/419586196.db2.gz JBTGKMUVADGEMK-VXGBXAGGSA-N 2 1 275.418 -0.048 20 0 CBADMP [NH3+]C1(CC(=O)NC[C@@H]2CN3CCN2CCC3)CCC1 ZINC000394386888 544582210 /nfs/dbraw/zinc/58/22/10/544582210.db2.gz BHEWQNFAAIERFY-GFCCVEGCSA-N 2 1 266.389 -0.236 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CC3CC2(C[NH3+])C3)CC1 ZINC000662306372 419587350 /nfs/dbraw/zinc/58/73/50/419587350.db2.gz RBHVYDXIYMZNIQ-UHFFFAOYSA-N 2 1 266.389 -0.426 20 0 CBADMP C[C@]12COC[C@H]1C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000662310731 419587410 /nfs/dbraw/zinc/58/74/10/419587410.db2.gz MQYKCAXPDVOWBI-OCCSQVGLSA-N 2 1 267.373 -0.223 20 0 CBADMP O=C(NCCC[NH2+]Cc1cccnc1)[C@@H]1COCC[NH2+]1 ZINC000238045067 419589320 /nfs/dbraw/zinc/58/93/20/419589320.db2.gz ITPWRASFIPKKBZ-ZDUSSCGKSA-N 2 1 278.356 -0.334 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000250465788 419596481 /nfs/dbraw/zinc/59/64/81/419596481.db2.gz NFZRQLVUQJYUTN-KGYLQXTDSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000647711374 419639883 /nfs/dbraw/zinc/63/98/83/419639883.db2.gz HZGFAZHSHXRGFS-RYUDHWBXSA-N 2 1 254.378 -0.557 20 0 CBADMP C[N@@H+](C[C@H](O)CNC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000647517311 419598386 /nfs/dbraw/zinc/59/83/86/419598386.db2.gz DHVOFBCQXBHMBW-ZIAGYGMSSA-N 2 1 271.405 -0.512 20 0 CBADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262107330 419599914 /nfs/dbraw/zinc/59/99/14/419599914.db2.gz JWUPILCIDSPTCO-CQSZACIVSA-N 3 1 252.406 -0.035 20 0 CBADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@](C)(O)CO ZINC000647527113 419604368 /nfs/dbraw/zinc/60/43/68/419604368.db2.gz IPYPQKHCSMTJKS-CABCVRRESA-N 2 1 282.384 -0.188 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@](C)(O)CO ZINC000647527113 419604371 /nfs/dbraw/zinc/60/43/71/419604371.db2.gz IPYPQKHCSMTJKS-CABCVRRESA-N 2 1 282.384 -0.188 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000662437968 419607416 /nfs/dbraw/zinc/60/74/16/419607416.db2.gz KSSBVXFDNPJFAC-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000662479772 419617161 /nfs/dbraw/zinc/61/71/61/419617161.db2.gz MRWQSJFHDUOSFA-CHWSQXEVSA-N 2 1 270.421 -0.016 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000662479775 419617576 /nfs/dbraw/zinc/61/75/76/419617576.db2.gz MRWQSJFHDUOSFA-STQMWFEESA-N 2 1 270.421 -0.016 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000647594966 419619905 /nfs/dbraw/zinc/61/99/05/419619905.db2.gz CEGVUJWUNCKBDS-CYDGBPFRSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000647595162 419620547 /nfs/dbraw/zinc/62/05/47/419620547.db2.gz QXFWTSHKBWNOKP-GVXVVHGQSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@](CO)(OC)C1 ZINC000401813912 544585693 /nfs/dbraw/zinc/58/56/93/544585693.db2.gz WESZBTBGXFYXEF-QWHCGFSZSA-N 2 1 260.378 -0.228 20 0 CBADMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000401813912 544585696 /nfs/dbraw/zinc/58/56/96/544585696.db2.gz WESZBTBGXFYXEF-QWHCGFSZSA-N 2 1 260.378 -0.228 20 0 CBADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000401813912 544585702 /nfs/dbraw/zinc/58/57/02/544585702.db2.gz WESZBTBGXFYXEF-QWHCGFSZSA-N 2 1 260.378 -0.228 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000401791258 544585864 /nfs/dbraw/zinc/58/58/64/544585864.db2.gz HDLFYFMHVKCOCM-UONOGXRCSA-N 2 1 290.404 -0.601 20 0 CBADMP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@](CO)(OC)C1 ZINC000401791258 544585866 /nfs/dbraw/zinc/58/58/66/544585866.db2.gz HDLFYFMHVKCOCM-UONOGXRCSA-N 2 1 290.404 -0.601 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@](CO)(OC)C1 ZINC000401791258 544585869 /nfs/dbraw/zinc/58/58/69/544585869.db2.gz HDLFYFMHVKCOCM-UONOGXRCSA-N 2 1 290.404 -0.601 20 0 CBADMP C[NH+](C)CC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000647821813 419661331 /nfs/dbraw/zinc/66/13/31/419661331.db2.gz MQYMVQJMGPQZER-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP C[NH+](C)CC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000647821813 419661337 /nfs/dbraw/zinc/66/13/37/419661337.db2.gz MQYMVQJMGPQZER-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP O=C([C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1)N1CC[NH2+]CC1 ZINC000647825638 419661747 /nfs/dbraw/zinc/66/17/47/419661747.db2.gz ZUMVUPSRDIZCNU-VXGBXAGGSA-N 2 1 280.372 -0.981 20 0 CBADMP COc1coc(C[N@H+](C)CCN2CC[NH2+]CC2)cc1=O ZINC000647835658 419664405 /nfs/dbraw/zinc/66/44/05/419664405.db2.gz HHWRVAZUKBAHNU-UHFFFAOYSA-N 2 1 281.356 -0.015 20 0 CBADMP COc1coc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1=O ZINC000647835658 419664411 /nfs/dbraw/zinc/66/44/11/419664411.db2.gz HHWRVAZUKBAHNU-UHFFFAOYSA-N 2 1 281.356 -0.015 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000647830266 419664761 /nfs/dbraw/zinc/66/47/61/419664761.db2.gz FCSYPAJOJPHFKT-LBPRGKRZSA-N 2 1 254.378 -0.569 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000647830266 419664767 /nfs/dbraw/zinc/66/47/67/419664767.db2.gz FCSYPAJOJPHFKT-LBPRGKRZSA-N 3 1 254.378 -0.569 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000647830266 419664771 /nfs/dbraw/zinc/66/47/71/419664771.db2.gz FCSYPAJOJPHFKT-LBPRGKRZSA-N 3 1 254.378 -0.569 20 0 CBADMP CN(CC1CC1)C(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835979 419664887 /nfs/dbraw/zinc/66/48/87/419664887.db2.gz XEVPMUVAWUOSNO-UHFFFAOYSA-N 2 1 268.405 -0.308 20 0 CBADMP CN(CC1CC1)C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835979 419664892 /nfs/dbraw/zinc/66/48/92/419664892.db2.gz XEVPMUVAWUOSNO-UHFFFAOYSA-N 2 1 268.405 -0.308 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647828429 419666399 /nfs/dbraw/zinc/66/63/99/419666399.db2.gz CZDSGDZPPPCJTF-NEPJUHHUSA-N 3 1 254.378 -0.617 20 0 CBADMP C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@H]1C[NH3+] ZINC000333572502 419667903 /nfs/dbraw/zinc/66/79/03/419667903.db2.gz MPKXMAADPVNQQI-KKOKHZNYSA-N 2 1 255.362 -0.193 20 0 CBADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000662658780 419669972 /nfs/dbraw/zinc/66/99/72/419669972.db2.gz DTKDHFSVYOEGPF-VXGBXAGGSA-N 2 1 271.361 -0.811 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CCC[NH3+] ZINC000647849558 419671871 /nfs/dbraw/zinc/67/18/71/419671871.db2.gz YBWKCRHPKBJDPX-MNOVXSKESA-N 2 1 270.377 -0.621 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)CCC[NH3+] ZINC000647849558 419671878 /nfs/dbraw/zinc/67/18/78/419671878.db2.gz YBWKCRHPKBJDPX-MNOVXSKESA-N 2 1 270.377 -0.621 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647865570 419676079 /nfs/dbraw/zinc/67/60/79/419676079.db2.gz NSOJCHWGOCSLET-AGIUHOORSA-N 2 1 257.378 -0.245 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662668360 419676871 /nfs/dbraw/zinc/67/68/71/419676871.db2.gz LHMSUXCGQZCYEP-NSHDSACASA-N 2 1 282.388 -0.416 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@H](C)O1 ZINC000662672416 419676939 /nfs/dbraw/zinc/67/69/39/419676939.db2.gz ZEBCOJREEPVWDV-RQJABVFESA-N 2 1 299.415 -0.034 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000662672427 419677388 /nfs/dbraw/zinc/67/73/88/419677388.db2.gz AFUAANPXMPPTJQ-RYUDHWBXSA-N 2 1 253.346 -0.343 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662669223 419677743 /nfs/dbraw/zinc/67/77/43/419677743.db2.gz CAVCUYLLVKOLGQ-VXGBXAGGSA-N 2 1 271.361 -0.859 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662669221 419678571 /nfs/dbraw/zinc/67/85/71/419678571.db2.gz CAVCUYLLVKOLGQ-NWDGAFQWSA-N 2 1 271.361 -0.859 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662682322 419680379 /nfs/dbraw/zinc/68/03/79/419680379.db2.gz RJZRLRGGGHAZEY-IJLUTSLNSA-N 2 1 255.362 -0.192 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662682323 419680709 /nfs/dbraw/zinc/68/07/09/419680709.db2.gz RJZRLRGGGHAZEY-UTUOFQBUSA-N 2 1 255.362 -0.192 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000662681327 419681011 /nfs/dbraw/zinc/68/10/11/419681011.db2.gz FGRFGWWESDMUGL-MNOVXSKESA-N 2 1 273.402 -0.485 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662685878 419681685 /nfs/dbraw/zinc/68/16/85/419681685.db2.gz ZYHVHEBTHDMUHS-NWDGAFQWSA-N 2 1 273.377 -0.565 20 0 CBADMP C[C@H](CNC(=O)C1(O)C[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000662679987 419681995 /nfs/dbraw/zinc/68/19/95/419681995.db2.gz RBSPMDBFURRPBD-GHMZBOCLSA-N 2 1 255.362 -0.443 20 0 CBADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C1(O)C[NH2+]C1 ZINC000662683289 419682933 /nfs/dbraw/zinc/68/29/33/419682933.db2.gz QMDQXFIRWJRICO-UHFFFAOYSA-N 2 1 289.379 -0.115 20 0 CBADMP O=C1C[N@H+](CCN2CC[NH2+]CC2)[C@@H]2CCCC[C@H]2N1 ZINC000647882990 419683388 /nfs/dbraw/zinc/68/33/88/419683388.db2.gz YHZJQBJKMOTSFU-CHWSQXEVSA-N 2 1 266.389 -0.365 20 0 CBADMP O=C1C[N@@H+](CCN2CC[NH2+]CC2)[C@@H]2CCCC[C@H]2N1 ZINC000647882990 419683393 /nfs/dbraw/zinc/68/33/93/419683393.db2.gz YHZJQBJKMOTSFU-CHWSQXEVSA-N 2 1 266.389 -0.365 20 0 CBADMP O=C(CC[N@H+](CCCO)C1CC1)N1CC[NH2+]CC1 ZINC000647884993 419683836 /nfs/dbraw/zinc/68/38/36/419683836.db2.gz VIGVKUHIBPHDSL-UHFFFAOYSA-N 2 1 255.362 -0.345 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000662700693 419689193 /nfs/dbraw/zinc/68/91/93/419689193.db2.gz JUGUZTLWEVHAHZ-SRVKXCTJSA-N 2 1 255.362 -0.192 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662699510 419691266 /nfs/dbraw/zinc/69/12/66/419691266.db2.gz BOPSGZGWUWUPPN-IJLUTSLNSA-N 2 1 255.362 -0.192 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647941198 419692111 /nfs/dbraw/zinc/69/21/11/419692111.db2.gz DOYXXYDKLATVII-CHWSQXEVSA-N 3 1 268.405 -0.085 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@@H]1CC[NH2+]C1 ZINC000647941198 419692122 /nfs/dbraw/zinc/69/21/22/419692122.db2.gz DOYXXYDKLATVII-CHWSQXEVSA-N 2 1 268.405 -0.085 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000662703899 419694925 /nfs/dbraw/zinc/69/49/25/419694925.db2.gz QBQLLIAMBCNDCG-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000662717544 419697953 /nfs/dbraw/zinc/69/79/53/419697953.db2.gz OTWYRXIKYDUAKZ-TUAOUCFPSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662735087 419707225 /nfs/dbraw/zinc/70/72/25/419707225.db2.gz LFYZTLLKLHYCFM-NSHDSACASA-N 2 1 255.362 -0.299 20 0 CBADMP CC[N@@H+](CCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C1CC1 ZINC000647995701 419708651 /nfs/dbraw/zinc/70/86/51/419708651.db2.gz WFNREUBWWHGYMA-STQMWFEESA-N 2 1 284.404 -0.213 20 0 CBADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CCN1CCCS1(=O)=O ZINC000647995427 419709584 /nfs/dbraw/zinc/70/95/84/419709584.db2.gz XFDLDRIWTUYYEW-GFCCVEGCSA-N 2 1 275.418 -0.047 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000662755949 419711157 /nfs/dbraw/zinc/71/11/57/419711157.db2.gz DNLJJQBAPRCJFG-AVGNSLFASA-N 2 1 268.405 -0.277 20 0 CBADMP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000662567448 419643463 /nfs/dbraw/zinc/64/34/63/419643463.db2.gz KCNLJNNRTBYCRZ-JQWIXIFHSA-N 2 1 261.341 -0.101 20 0 CBADMP C[C@@H]1C[NH+](CCN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H](C)O1 ZINC000405315779 544587935 /nfs/dbraw/zinc/58/79/35/544587935.db2.gz PHIONECIWIBYGH-APIJFGDWSA-N 2 1 283.416 -0.154 20 0 CBADMP C[C@@H]1C[NH+](CCN2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@@H](C)O1 ZINC000405315779 544587937 /nfs/dbraw/zinc/58/79/37/544587937.db2.gz PHIONECIWIBYGH-APIJFGDWSA-N 2 1 283.416 -0.154 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662621934 419653176 /nfs/dbraw/zinc/65/31/76/419653176.db2.gz MFQDOTVYAZMFML-NWDGAFQWSA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC000662622856 419653359 /nfs/dbraw/zinc/65/33/59/419653359.db2.gz VAYBBJACKGXEKJ-VIFPVBQESA-N 2 1 256.350 -0.950 20 0 CBADMP CCC[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[N@@H+]1CCOC ZINC000662825187 419739668 /nfs/dbraw/zinc/73/96/68/419739668.db2.gz FFCYINHDLKCNMM-LBPRGKRZSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[N@H+]1CCOC ZINC000662825187 419739672 /nfs/dbraw/zinc/73/96/72/419739672.db2.gz FFCYINHDLKCNMM-LBPRGKRZSA-N 2 1 285.388 -0.720 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000662943884 419786520 /nfs/dbraw/zinc/78/65/20/419786520.db2.gz CZQKURWPAZNVQD-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)C1(O)C[NH2+]C1 ZINC000662835055 419742728 /nfs/dbraw/zinc/74/27/28/419742728.db2.gz KIEHYOFOYSQJOI-WDEREUQCSA-N 2 1 253.346 -0.546 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662845222 419744434 /nfs/dbraw/zinc/74/44/34/419744434.db2.gz FUQLVKCEMXLBLC-NWDGAFQWSA-N 2 1 282.388 -0.573 20 0 CBADMP C[C@H](C(=O)N(C)CC(C)(C)[NH3+])N1CC[NH+](C)CC1 ZINC000662845356 419744550 /nfs/dbraw/zinc/74/45/50/419744550.db2.gz OUMDHKSTFWDKCG-LLVKDONJSA-N 2 1 256.394 -0.182 20 0 CBADMP COCC1(CNC(=O)[C@H]2CSC[NH2+]2)CC[NH2+]CC1 ZINC000648132929 419745284 /nfs/dbraw/zinc/74/52/84/419745284.db2.gz HUKJTINIELGXLC-SNVBAGLBSA-N 2 1 273.402 -0.219 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000648131545 419746669 /nfs/dbraw/zinc/74/66/69/419746669.db2.gz ADIAEUHZKQLIEN-GHMZBOCLSA-N 2 1 263.345 -0.355 20 0 CBADMP C[C@@H](C(=O)N1CC2CC1(C[NH3+])C2)N1CC[NH+](C)CC1 ZINC000662875272 419759677 /nfs/dbraw/zinc/75/96/77/419759677.db2.gz IBFRIXKTZOCELX-DCBWTQNWSA-N 2 1 266.389 -0.428 20 0 CBADMP [NH3+]CCOCC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000648176978 419766290 /nfs/dbraw/zinc/76/62/90/419766290.db2.gz WECKEWLVKAWZRZ-LBPRGKRZSA-N 2 1 264.329 -0.470 20 0 CBADMP [NH3+]CC1(CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000662906410 419768247 /nfs/dbraw/zinc/76/82/47/419768247.db2.gz KAQZVCMSWJSLOC-GFCCVEGCSA-N 2 1 266.389 -0.379 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662909263 419768787 /nfs/dbraw/zinc/76/87/87/419768787.db2.gz YZPDZZPNSGDLQO-MJBXVCDLSA-N 2 1 280.416 -0.119 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@H+]1C ZINC000648177699 419769330 /nfs/dbraw/zinc/76/93/30/419769330.db2.gz OSGTXTGZENKLMB-GRYCIOLGSA-N 2 1 255.362 -0.097 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662913644 419773063 /nfs/dbraw/zinc/77/30/63/419773063.db2.gz RXGHKTAJYRMPJG-QJPTWQEYSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])[C@@H](C)C1 ZINC000662937015 419783842 /nfs/dbraw/zinc/78/38/42/419783842.db2.gz DPSCKWQXICWPMY-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000662776220 419717499 /nfs/dbraw/zinc/71/74/99/419717499.db2.gz IUHBDLWWFIGTMD-GHMZBOCLSA-N 2 1 265.361 -0.109 20 0 CBADMP C[C@H](C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)N1CC[NH+](C)CC1 ZINC000662985476 419804830 /nfs/dbraw/zinc/80/48/30/419804830.db2.gz VIIZUDNKIAXEGW-NXEZZACHSA-N 2 1 296.337 -0.030 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000518497441 544601805 /nfs/dbraw/zinc/60/18/05/544601805.db2.gz XXSSUUXJIAWFLT-STQMWFEESA-N 2 1 283.420 -0.327 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000648923632 419820566 /nfs/dbraw/zinc/82/05/66/419820566.db2.gz LIALOAYJLMUCGJ-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351516518 419822835 /nfs/dbraw/zinc/82/28/35/419822835.db2.gz GFIUBMABENOZSJ-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCO)C[C@@H]2C)CC[N@@H+]1C ZINC000648926210 419823865 /nfs/dbraw/zinc/82/38/65/419823865.db2.gz IJAGPNZSQZNPOM-YNEHKIRRSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCO)C[C@@H]2C)CC[N@H+]1C ZINC000648926210 419823869 /nfs/dbraw/zinc/82/38/69/419823869.db2.gz IJAGPNZSQZNPOM-YNEHKIRRSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[N@H+](CCO)C[C@@H]2C)CC[NH+]1C ZINC000648926210 419823875 /nfs/dbraw/zinc/82/38/75/419823875.db2.gz IJAGPNZSQZNPOM-YNEHKIRRSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)CC[NH+]1C ZINC000648926210 419823884 /nfs/dbraw/zinc/82/38/84/419823884.db2.gz IJAGPNZSQZNPOM-YNEHKIRRSA-N 2 1 269.389 -0.148 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649068382 419833193 /nfs/dbraw/zinc/83/31/93/419833193.db2.gz FLQAMKLQYFMAJC-LLVKDONJSA-N 2 1 293.371 -0.230 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649075643 419838052 /nfs/dbraw/zinc/83/80/52/419838052.db2.gz IBCDQBQTMBEBJP-GFCCVEGCSA-N 2 1 284.404 -0.093 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000353460134 419838220 /nfs/dbraw/zinc/83/82/20/419838220.db2.gz NWEJSSRXKUIKRF-AGIUHOORSA-N 2 1 268.405 -0.264 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494307 419841400 /nfs/dbraw/zinc/84/14/00/419841400.db2.gz NSTYDDUFQKSQAD-IPYPFGDCSA-N 3 1 280.416 -0.085 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494307 419841409 /nfs/dbraw/zinc/84/14/09/419841409.db2.gz NSTYDDUFQKSQAD-IPYPFGDCSA-N 3 1 280.416 -0.085 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000355218604 419859799 /nfs/dbraw/zinc/85/97/99/419859799.db2.gz CRTJTFVFRPQIDE-UHFFFAOYSA-N 2 1 295.387 -0.053 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662941634 419788431 /nfs/dbraw/zinc/78/84/31/419788431.db2.gz ADJLVHVQTXQTAK-UHFFFAOYSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ncnn1C ZINC000664313746 419897585 /nfs/dbraw/zinc/89/75/85/419897585.db2.gz CKGUOPSDPUCUQC-NSHDSACASA-N 2 1 282.392 -0.183 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ncnn1C ZINC000664313746 419897590 /nfs/dbraw/zinc/89/75/90/419897590.db2.gz CKGUOPSDPUCUQC-NSHDSACASA-N 2 1 282.392 -0.183 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649318837 419879502 /nfs/dbraw/zinc/87/95/02/419879502.db2.gz OBDDLIZJXNPICT-NDBYEHHHSA-N 2 1 267.373 -0.321 20 0 CBADMP [NH3+]C1(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCC1 ZINC000649321428 419882967 /nfs/dbraw/zinc/88/29/67/419882967.db2.gz XLAZPVFXTVPDSK-RYUDHWBXSA-N 2 1 267.373 -0.075 20 0 CBADMP C[NH+](C)CCC[N@H+](C)CCNc1ccc2nnnn2n1 ZINC000664247868 419888377 /nfs/dbraw/zinc/88/83/77/419888377.db2.gz TYMUXWCTLLAOAP-UHFFFAOYSA-N 2 1 278.364 -0.185 20 0 CBADMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc2nnnn2n1 ZINC000664247868 419888380 /nfs/dbraw/zinc/88/83/80/419888380.db2.gz TYMUXWCTLLAOAP-UHFFFAOYSA-N 2 1 278.364 -0.185 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000649348787 419897925 /nfs/dbraw/zinc/89/79/25/419897925.db2.gz UXUNGFSHQRYPKX-ZYHUDNBSSA-N 2 1 267.373 -0.036 20 0 CBADMP CC(=O)N1CC[C@@]([NH3+])(C(=O)NCC[N@H+]2CC[C@H](C)C2)C1 ZINC000649341935 419895917 /nfs/dbraw/zinc/89/59/17/419895917.db2.gz AYTFFVBIDSNNNT-FZMZJTMJSA-N 2 1 282.388 -0.606 20 0 CBADMP CC(=O)N1CC[C@@]([NH3+])(C(=O)NCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000649341935 419895920 /nfs/dbraw/zinc/89/59/20/419895920.db2.gz AYTFFVBIDSNNNT-FZMZJTMJSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000663776594 419861964 /nfs/dbraw/zinc/86/19/64/419861964.db2.gz SBSFKXVXBDSXTC-AGIUHOORSA-N 2 1 284.404 -0.213 20 0 CBADMP CC[N@H+]1C[C@H](C)[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000664384011 419902814 /nfs/dbraw/zinc/90/28/14/419902814.db2.gz AEQAPUBFFYPWHC-RNJOBUHISA-N 2 1 284.404 -0.357 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(CCC[NH+]2CCOCC2)CCO1 ZINC000649410317 419909472 /nfs/dbraw/zinc/90/94/72/419909472.db2.gz LZMGQCRHTVTZMQ-QWHCGFSZSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000649410776 419910283 /nfs/dbraw/zinc/91/02/83/419910283.db2.gz RRSMPXQLPFSCDZ-HZSPNIEDSA-N 2 1 298.431 -0.413 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CN(CCC[NH+]2CCOCC2)CCO1 ZINC000649410315 419910305 /nfs/dbraw/zinc/91/03/05/419910305.db2.gz LZMGQCRHTVTZMQ-CHWSQXEVSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N(C)CCC[NH3+])CC1 ZINC000649410056 419911002 /nfs/dbraw/zinc/91/10/02/419911002.db2.gz KKGAEBOPNMSHBN-GFCCVEGCSA-N 2 1 256.394 -0.180 20 0 CBADMP C[C@@H]1C[C@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC[NH2+]1 ZINC000358698591 419911778 /nfs/dbraw/zinc/91/17/78/419911778.db2.gz UZDNNXLEWIPMNJ-UPJWGTAASA-N 2 1 296.415 -0.170 20 0 CBADMP CCN(C(=O)C(=O)NC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668361860 544695690 /nfs/dbraw/zinc/69/56/90/544695690.db2.gz KUTIUZGBHDDQTI-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CCOC3(C[NH2+]C3)C2)CC1 ZINC000664725724 419913887 /nfs/dbraw/zinc/91/38/87/419913887.db2.gz UDSHDDASOWVNKS-UHFFFAOYSA-N 2 1 296.415 -0.785 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000649374092 419907116 /nfs/dbraw/zinc/90/71/16/419907116.db2.gz QUDBHXHEWPHTCV-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000669402973 544747623 /nfs/dbraw/zinc/74/76/23/544747623.db2.gz CIXINTDQOLKEJE-ZIAGYGMSSA-N 2 1 295.431 -0.230 20 0 CBADMP [NH3+]C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCO1 ZINC000669491119 544750544 /nfs/dbraw/zinc/75/05/44/544750544.db2.gz MJBCDUVREGBCEK-STQMWFEESA-N 2 1 282.388 -0.160 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC[NH2+]C2CC2)C1 ZINC000669491557 544751349 /nfs/dbraw/zinc/75/13/49/544751349.db2.gz ZXUSXOQNMWSGNT-GFCCVEGCSA-N 2 1 270.377 -0.242 20 0 CBADMP CN1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000669491020 544751497 /nfs/dbraw/zinc/75/14/97/544751497.db2.gz IPBUOFCTNFIDHQ-KBPBESRZSA-N 2 1 295.431 -0.245 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCC[N@@H+](C)C2CC2)CCO1 ZINC000669477830 544751754 /nfs/dbraw/zinc/75/17/54/544751754.db2.gz JJUHUQNKOHUPSE-PWSUYJOCSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000669524697 544752395 /nfs/dbraw/zinc/75/23/95/544752395.db2.gz ZIANSXUTKKJTKZ-DYEKYZERSA-N 2 1 295.431 -0.104 20 0 CBADMP C[C@H](NC(=O)NCC1([NH3+])CCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538277 544752807 /nfs/dbraw/zinc/75/28/07/544752807.db2.gz HWRKJHJITIGAGC-QWRGUYRKSA-N 2 1 270.377 -0.114 20 0 CBADMP C[C@H](NC(=O)NCC1([NH3+])CCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538277 544752808 /nfs/dbraw/zinc/75/28/08/544752808.db2.gz HWRKJHJITIGAGC-QWRGUYRKSA-N 2 1 270.377 -0.114 20 0 CBADMP C[NH+](C)CCN1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000649684737 419922349 /nfs/dbraw/zinc/92/23/49/419922349.db2.gz ADHINJTTWSXEGZ-CQSZACIVSA-N 2 1 298.431 -0.853 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000669538490 544754642 /nfs/dbraw/zinc/75/46/42/544754642.db2.gz TXRZSYIMLOVKQL-TUAOUCFPSA-N 2 1 272.393 -0.012 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538490 544754645 /nfs/dbraw/zinc/75/46/45/544754645.db2.gz TXRZSYIMLOVKQL-TUAOUCFPSA-N 2 1 272.393 -0.012 20 0 CBADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)N(C)C ZINC000669927556 544768134 /nfs/dbraw/zinc/76/81/34/544768134.db2.gz LLLLXZNNUQUIHH-UHFFFAOYSA-N 2 1 284.404 -0.439 20 0 CBADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)N(C)C ZINC000669927556 544768141 /nfs/dbraw/zinc/76/81/41/544768141.db2.gz LLLLXZNNUQUIHH-UHFFFAOYSA-N 2 1 284.404 -0.439 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CCc3[nH]cnc3C2)C[C@@H]1O ZINC000664925756 419918216 /nfs/dbraw/zinc/91/82/16/419918216.db2.gz BEWSKYOJIWOLCB-XDTLVQLUSA-N 2 1 293.371 -0.417 20 0 CBADMP C[NH+](C)CCN1CCN(CCC[NH+]2CCOCC2)CC1=O ZINC000649686127 419924446 /nfs/dbraw/zinc/92/44/46/419924446.db2.gz ZRYZNWZMRKWKPB-UHFFFAOYSA-N 2 1 298.431 -0.586 20 0 CBADMP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000671817255 544834191 /nfs/dbraw/zinc/83/41/91/544834191.db2.gz KLTNCGDFPLTIQS-DGCLKSJQSA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000671817257 544834252 /nfs/dbraw/zinc/83/42/52/544834252.db2.gz KLTNCGDFPLTIQS-WCQYABFASA-N 2 1 294.399 -0.498 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000671820985 544835975 /nfs/dbraw/zinc/83/59/75/544835975.db2.gz XSMFTIVSBHJKFB-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000670473213 544794608 /nfs/dbraw/zinc/79/46/08/544794608.db2.gz PZXFSLBGIIRKHX-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP Cc1nccn1CCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000671962650 544836190 /nfs/dbraw/zinc/83/61/90/544836190.db2.gz CFMZILKLCZWGTQ-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C1CC1 ZINC000672207854 544841590 /nfs/dbraw/zinc/84/15/90/544841590.db2.gz IKXAAXSOHLGFKL-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1)[N@H+](C)C1CC1 ZINC000672207854 544841593 /nfs/dbraw/zinc/84/15/93/544841593.db2.gz IKXAAXSOHLGFKL-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1)[N@@H+](C)C1CC1 ZINC000672207854 544841595 /nfs/dbraw/zinc/84/15/95/544841595.db2.gz IKXAAXSOHLGFKL-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])C1 ZINC000359249587 419952117 /nfs/dbraw/zinc/95/21/17/419952117.db2.gz VHYNORYNYMIBPW-XQQFMLRXSA-N 2 1 285.388 -0.328 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])C1 ZINC000359249587 419952126 /nfs/dbraw/zinc/95/21/26/419952126.db2.gz VHYNORYNYMIBPW-XQQFMLRXSA-N 2 1 285.388 -0.328 20 0 CBADMP CC[NH+](C)CCNc1nc(C)nc(NCC[N@H+](C)CC)n1 ZINC000359563855 419972381 /nfs/dbraw/zinc/97/23/81/419972381.db2.gz IUEMUXXVJPMMMC-UHFFFAOYSA-N 2 1 295.435 -0.249 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@@H+]1C ZINC000650919326 419973010 /nfs/dbraw/zinc/97/30/10/419973010.db2.gz XYQPICBKSZDAJH-SGMGOOAPSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@H+]1C ZINC000650919326 419973013 /nfs/dbraw/zinc/97/30/13/419973013.db2.gz XYQPICBKSZDAJH-SGMGOOAPSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000650919326 419973017 /nfs/dbraw/zinc/97/30/17/419973017.db2.gz XYQPICBKSZDAJH-SGMGOOAPSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000650919326 419973024 /nfs/dbraw/zinc/97/30/24/419973024.db2.gz XYQPICBKSZDAJH-SGMGOOAPSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+](C)C ZINC000650982423 419975009 /nfs/dbraw/zinc/97/50/09/419975009.db2.gz MVSKBAWZZRDCGE-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)[C@]1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCSC1 ZINC000360334170 420014975 /nfs/dbraw/zinc/01/49/75/420014975.db2.gz CDDGWFBSOGCBLN-YPMHNXCESA-N 2 1 287.429 -0.130 20 0 CBADMP C[NH+](C)[C@]1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCSC1 ZINC000360334170 420014980 /nfs/dbraw/zinc/01/49/80/420014980.db2.gz CDDGWFBSOGCBLN-YPMHNXCESA-N 2 1 287.429 -0.130 20 0 CBADMP CNC(=O)CN1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000363373438 420028636 /nfs/dbraw/zinc/02/86/36/420028636.db2.gz PTWXDNZUXQEVTB-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP CCO[C@@H]1CN(C(=O)NCC(F)(F)C[NH3+])C[C@H]1C[NH3+] ZINC000652213757 420051481 /nfs/dbraw/zinc/05/14/81/420051481.db2.gz DECCQCXPRNXNJI-RKDXNWHRSA-N 2 1 280.319 -0.414 20 0 CBADMP CCO[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000652356653 420059081 /nfs/dbraw/zinc/05/90/81/420059081.db2.gz ZZXNUHSCWKEMNN-CHWSQXEVSA-N 3 1 256.394 -0.813 20 0 CBADMP CCO[C@@H]1CN(CCN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000652356653 420059083 /nfs/dbraw/zinc/05/90/83/420059083.db2.gz ZZXNUHSCWKEMNN-CHWSQXEVSA-N 2 1 256.394 -0.813 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000365332576 420061243 /nfs/dbraw/zinc/06/12/43/420061243.db2.gz UHERHYBXYOENSU-RWMBFGLXSA-N 2 1 269.389 -0.054 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000652889062 420094257 /nfs/dbraw/zinc/09/42/57/420094257.db2.gz FKZYYHNCWDIIOM-CMPLNLGQSA-N 2 1 253.346 -0.785 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000652889062 420094260 /nfs/dbraw/zinc/09/42/60/420094260.db2.gz FKZYYHNCWDIIOM-CMPLNLGQSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000652889062 420094264 /nfs/dbraw/zinc/09/42/64/420094264.db2.gz FKZYYHNCWDIIOM-CMPLNLGQSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000652889062 420094269 /nfs/dbraw/zinc/09/42/69/420094269.db2.gz FKZYYHNCWDIIOM-CMPLNLGQSA-N 2 1 253.346 -0.785 20 0 CBADMP CC(C)[C@H](C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000652889145 420094865 /nfs/dbraw/zinc/09/48/65/420094865.db2.gz IZAAAJHEMOBPON-CHWSQXEVSA-N 2 1 269.389 -0.150 20 0 CBADMP CC(C)[C@H](C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000652889145 420094870 /nfs/dbraw/zinc/09/48/70/420094870.db2.gz IZAAAJHEMOBPON-CHWSQXEVSA-N 2 1 269.389 -0.150 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000653047149 420110385 /nfs/dbraw/zinc/11/03/85/420110385.db2.gz HJGQMHSCOSIUIC-VIFPVBQESA-N 2 1 292.330 -0.716 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000653108167 420116088 /nfs/dbraw/zinc/11/60/88/420116088.db2.gz LDGWUJFDUDVCCC-GFCCVEGCSA-N 2 1 254.378 -0.428 20 0 CBADMP C[N@@H+](CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CC1 ZINC000653113182 420118626 /nfs/dbraw/zinc/11/86/26/420118626.db2.gz VNMDQTLXGFUJFI-GWCFXTLKSA-N 2 1 253.346 -0.567 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000653117924 420119634 /nfs/dbraw/zinc/11/96/34/420119634.db2.gz ZPPBFKHMJXYPAB-OLZOCXBDSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@H+]1C ZINC000653119805 420120379 /nfs/dbraw/zinc/12/03/79/420120379.db2.gz WWNLOMZPAOWVRQ-UHXUPSOCSA-N 2 1 267.373 -0.179 20 0 CBADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C[NH3+] ZINC000653247764 420130189 /nfs/dbraw/zinc/13/01/89/420130189.db2.gz QKSATJTVKNGORP-UPJWGTAASA-N 2 1 285.388 -0.471 20 0 CBADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C[NH3+] ZINC000653247764 420130194 /nfs/dbraw/zinc/13/01/94/420130194.db2.gz QKSATJTVKNGORP-UPJWGTAASA-N 2 1 285.388 -0.471 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000368372928 420130275 /nfs/dbraw/zinc/13/02/75/420130275.db2.gz DBMDQOOSNPSRND-NEPJUHHUSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000368372928 420130279 /nfs/dbraw/zinc/13/02/79/420130279.db2.gz DBMDQOOSNPSRND-NEPJUHHUSA-N 2 1 267.373 -0.035 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000368445770 420132149 /nfs/dbraw/zinc/13/21/49/420132149.db2.gz NMAVDMPLRUXUBJ-LBPRGKRZSA-N 2 1 282.388 -0.334 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000368445770 420132152 /nfs/dbraw/zinc/13/21/52/420132152.db2.gz NMAVDMPLRUXUBJ-LBPRGKRZSA-N 2 1 282.388 -0.334 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC000368486338 420134341 /nfs/dbraw/zinc/13/43/41/420134341.db2.gz BGRNWGGUJSEYFJ-OAHLLOKOSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC000368486338 420134350 /nfs/dbraw/zinc/13/43/50/420134350.db2.gz BGRNWGGUJSEYFJ-OAHLLOKOSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC000368486338 420134355 /nfs/dbraw/zinc/13/43/55/420134355.db2.gz BGRNWGGUJSEYFJ-OAHLLOKOSA-N 2 1 281.400 -0.003 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)[N@@H+](C)C1CC1 ZINC000652686580 420072039 /nfs/dbraw/zinc/07/20/39/420072039.db2.gz KPXCRBWQXSLSNV-LLVKDONJSA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000652701065 420075877 /nfs/dbraw/zinc/07/58/77/420075877.db2.gz YRDWGDSIOAZGGN-LLVKDONJSA-N 2 1 272.393 -0.456 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)CC[NH3+] ZINC000652706647 420076142 /nfs/dbraw/zinc/07/61/42/420076142.db2.gz GGPKDKQRWKPLPI-UHFFFAOYSA-N 2 1 272.393 -0.502 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000652705884 420076171 /nfs/dbraw/zinc/07/61/71/420076171.db2.gz QGVNKTZXZUPEBL-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652710552 420077898 /nfs/dbraw/zinc/07/78/98/420077898.db2.gz UBNKFTPAKMLVCA-UHFFFAOYSA-N 2 1 296.415 -0.214 20 0 CBADMP C[NH+](C)C1(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCC1 ZINC000654539690 420183995 /nfs/dbraw/zinc/18/39/95/420183995.db2.gz QSMQWQJDAKLKFH-QWHCGFSZSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000370774482 420187632 /nfs/dbraw/zinc/18/76/32/420187632.db2.gz ROICQMRQQYKBCG-YUSALJHKSA-N 2 1 253.346 -0.426 20 0 CBADMP C[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000370779511 420187733 /nfs/dbraw/zinc/18/77/33/420187733.db2.gz KQRYZEAIPKNVEQ-WCQYABFASA-N 2 1 273.352 -0.228 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000377301146 420194948 /nfs/dbraw/zinc/19/49/48/420194948.db2.gz ZFSUNTGFOHOBJT-GRYCIOLGSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[C@@](C)([NH3+])c1cn(C[C@H](O)C[N@@H+](C)CCOC)nn1 ZINC000384183307 420200495 /nfs/dbraw/zinc/20/04/95/420200495.db2.gz RAXBVCJTVYBONK-DGCLKSJQSA-N 2 1 285.392 -0.199 20 0 CBADMP C[C@@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000388499581 420204869 /nfs/dbraw/zinc/20/48/69/420204869.db2.gz GZCROELXQVFQJI-JQWIXIFHSA-N 2 1 291.417 -0.623 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000388558257 420206022 /nfs/dbraw/zinc/20/60/22/420206022.db2.gz ZYKBYRIJHDLYAI-RYUDHWBXSA-N 2 1 293.433 -0.376 20 0 CBADMP C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+]1CC(C)C1 ZINC000655000318 420207805 /nfs/dbraw/zinc/20/78/05/420207805.db2.gz DGVGCVJQQGCTTP-YPMHNXCESA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+]1CC(C)C1 ZINC000655000318 420207810 /nfs/dbraw/zinc/20/78/10/420207810.db2.gz DGVGCVJQQGCTTP-YPMHNXCESA-N 2 1 255.362 -0.491 20 0 CBADMP CNC(=O)NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000368877243 420145867 /nfs/dbraw/zinc/14/58/67/420145867.db2.gz VHPKCXCHQLMWRB-UHFFFAOYSA-N 2 1 298.387 -0.514 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000653541358 420146999 /nfs/dbraw/zinc/14/69/99/420146999.db2.gz MTJKNXBBDVVLKV-OLZOCXBDSA-N 2 1 259.394 -0.703 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CC(N)=O)C1 ZINC000653563595 420148470 /nfs/dbraw/zinc/14/84/70/420148470.db2.gz UQAZWESICTYGRR-RYUDHWBXSA-N 2 1 257.378 -0.114 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000653563595 420148475 /nfs/dbraw/zinc/14/84/75/420148475.db2.gz UQAZWESICTYGRR-RYUDHWBXSA-N 2 1 257.378 -0.114 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000653563595 420148478 /nfs/dbraw/zinc/14/84/78/420148478.db2.gz UQAZWESICTYGRR-RYUDHWBXSA-N 2 1 257.378 -0.114 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCn2cc(C)nc2C1 ZINC000653612189 420153810 /nfs/dbraw/zinc/15/38/10/420153810.db2.gz CHEQMQKKLIHLOV-CYBMUJFWSA-N 2 1 282.388 -0.054 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@]12CCNC2=O ZINC000653717280 420157473 /nfs/dbraw/zinc/15/74/73/420157473.db2.gz ODASTADPBMJSMR-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000369527119 420160259 /nfs/dbraw/zinc/16/02/59/420160259.db2.gz JKDNDUIKFPSAEH-CYBMUJFWSA-N 2 1 278.356 -0.210 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(CCOC)CC[NH+](C)C)C1 ZINC000369679788 420162762 /nfs/dbraw/zinc/16/27/62/420162762.db2.gz XOGYLOIQZIWOSF-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP CC[NH+]1CCC(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654351028 420174023 /nfs/dbraw/zinc/17/40/23/420174023.db2.gz AMHJICVXAPHTFY-UONOGXRCSA-N 2 1 296.415 -0.069 20 0 CBADMP COC(=O)CNC(=O)CC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000370205069 420174314 /nfs/dbraw/zinc/17/43/14/420174314.db2.gz WXNRXCCHTGEPLX-NEPJUHHUSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000370205069 420174318 /nfs/dbraw/zinc/17/43/18/420174318.db2.gz WXNRXCCHTGEPLX-NEPJUHHUSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000370205069 420174321 /nfs/dbraw/zinc/17/43/21/420174321.db2.gz WXNRXCCHTGEPLX-NEPJUHHUSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000370205069 420174325 /nfs/dbraw/zinc/17/43/25/420174325.db2.gz WXNRXCCHTGEPLX-NEPJUHHUSA-N 2 1 283.372 -0.308 20 0 CBADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000654460821 420180018 /nfs/dbraw/zinc/18/00/18/420180018.db2.gz AZHQMRXVKMASBD-RFQIPJPRSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@H]1C[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000654460821 420180019 /nfs/dbraw/zinc/18/00/19/420180019.db2.gz AZHQMRXVKMASBD-RFQIPJPRSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@H]1C[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000654460821 420180026 /nfs/dbraw/zinc/18/00/26/420180026.db2.gz AZHQMRXVKMASBD-RFQIPJPRSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)[C@@H]1CC[NH3+] ZINC000404288412 420223810 /nfs/dbraw/zinc/22/38/10/420223810.db2.gz JGHCQQHNETZERJ-GHMZBOCLSA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH+](C)CCN(C(=O)CN1CC[NH+](C)CC1)C1CC1 ZINC000673083597 544868663 /nfs/dbraw/zinc/86/86/63/544868663.db2.gz IWTDRNJBQWHLBX-UHFFFAOYSA-N 2 1 268.405 -0.214 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407234007 420228764 /nfs/dbraw/zinc/22/87/64/420228764.db2.gz AOEKBVQKNZTREA-MCIONIFRSA-N 2 1 280.416 -0.121 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655244182 420233107 /nfs/dbraw/zinc/23/31/07/420233107.db2.gz NRZOHJYHPIFDSJ-YIYPIFLZSA-N 2 1 299.415 -0.069 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655244182 420233111 /nfs/dbraw/zinc/23/31/11/420233111.db2.gz NRZOHJYHPIFDSJ-YIYPIFLZSA-N 2 1 299.415 -0.069 20 0 CBADMP CC[C@@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C ZINC000655296071 420236764 /nfs/dbraw/zinc/23/67/64/420236764.db2.gz FZVARZLWYYKWSK-TUAOUCFPSA-N 2 1 255.362 -0.396 20 0 CBADMP C[N@@H+](CC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@H]1CCSC1 ZINC000655295534 420237175 /nfs/dbraw/zinc/23/71/75/420237175.db2.gz DBJGFLAUXRQMGL-RWMBFGLXSA-N 2 1 299.440 -0.299 20 0 CBADMP C[NH+](CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CCSC1 ZINC000655295534 420237179 /nfs/dbraw/zinc/23/71/79/420237179.db2.gz DBJGFLAUXRQMGL-RWMBFGLXSA-N 2 1 299.440 -0.299 20 0 CBADMP C[NH+](CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CCSC1 ZINC000655295534 420237182 /nfs/dbraw/zinc/23/71/82/420237182.db2.gz DBJGFLAUXRQMGL-RWMBFGLXSA-N 2 1 299.440 -0.299 20 0 CBADMP CC[NH2+]CCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000418321077 420241450 /nfs/dbraw/zinc/24/14/50/420241450.db2.gz XRVGVBHHNHCTFK-LBPRGKRZSA-N 2 1 272.393 -0.258 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655298376 420241699 /nfs/dbraw/zinc/24/16/99/420241699.db2.gz HYZLEXOIOZBZHN-NWDGAFQWSA-N 2 1 255.362 -0.396 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298376 420241702 /nfs/dbraw/zinc/24/17/02/420241702.db2.gz HYZLEXOIOZBZHN-NWDGAFQWSA-N 2 1 255.362 -0.396 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298376 420241706 /nfs/dbraw/zinc/24/17/06/420241706.db2.gz HYZLEXOIOZBZHN-NWDGAFQWSA-N 2 1 255.362 -0.396 20 0 CBADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@@H](C)C[NH3+])[nH+]c1 ZINC000419091346 420242813 /nfs/dbraw/zinc/24/28/13/420242813.db2.gz GJYRSYFBFDIEMA-NSHDSACASA-N 2 1 293.371 -0.228 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419107310 420243047 /nfs/dbraw/zinc/24/30/47/420243047.db2.gz PMJYXMAPYXKBRD-WDEREUQCSA-N 2 1 282.388 -0.417 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419525589 420246437 /nfs/dbraw/zinc/24/64/37/420246437.db2.gz ROQLLZWITDKZOH-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420095687 420247145 /nfs/dbraw/zinc/24/71/45/420247145.db2.gz SVKOQQBXSHYOAS-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000419987129 420247207 /nfs/dbraw/zinc/24/72/07/420247207.db2.gz CYJXUGFZEPWYOE-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000419982070 420247361 /nfs/dbraw/zinc/24/73/61/420247361.db2.gz SQLQKQYNHIDTAC-STQMWFEESA-N 2 1 296.415 -0.219 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000419883361 420247815 /nfs/dbraw/zinc/24/78/15/420247815.db2.gz DDLBWARBVRGNGY-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419959310 420248366 /nfs/dbraw/zinc/24/83/66/420248366.db2.gz XDTMDKWZAITTAA-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655449749 420250668 /nfs/dbraw/zinc/25/06/68/420250668.db2.gz NTKRLVHLLMZBAE-UMVBOHGHSA-N 2 1 280.416 -0.262 20 0 CBADMP C[C@H](CNC(=O)COCC[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489622 420255128 /nfs/dbraw/zinc/25/51/28/420255128.db2.gz WMAVMGNQOJPNSP-UTUOFQBUSA-N 2 1 273.377 -0.424 20 0 CBADMP C[C@H](CNC(=O)COCC[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489622 420255132 /nfs/dbraw/zinc/25/51/32/420255132.db2.gz WMAVMGNQOJPNSP-UTUOFQBUSA-N 2 1 273.377 -0.424 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000422961634 420255522 /nfs/dbraw/zinc/25/55/22/420255522.db2.gz CPJAOUSKMQCGQS-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422967524 420255728 /nfs/dbraw/zinc/25/57/28/420255728.db2.gz CDENVJVSHZREIT-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)CC[N@@H+]1C ZINC000423617853 420257191 /nfs/dbraw/zinc/25/71/91/420257191.db2.gz XYFIPUHTBNPTKC-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)CC[N@H+]1C ZINC000423617853 420257193 /nfs/dbraw/zinc/25/71/93/420257193.db2.gz XYFIPUHTBNPTKC-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423727202 420257326 /nfs/dbraw/zinc/25/73/26/420257326.db2.gz QTANVGSASGFHMH-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655755285 420271467 /nfs/dbraw/zinc/27/14/67/420271467.db2.gz WEHLWXDHGNMHAI-GJZGRUSLSA-N 2 1 283.416 -0.104 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655923689 420278222 /nfs/dbraw/zinc/27/82/22/420278222.db2.gz BICUMWUJFJFQIH-IONNQARKSA-N 2 1 284.282 -0.758 20 0 CBADMP CCC([NH3+])(CC)CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963696 420282409 /nfs/dbraw/zinc/28/24/09/420282409.db2.gz QSIGNNZTNNAKRN-NWDGAFQWSA-N 2 1 284.404 -0.036 20 0 CBADMP CC[NH2+]CCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655961911 420282470 /nfs/dbraw/zinc/28/24/70/420282470.db2.gz CJULNLLDCABZFJ-WDEREUQCSA-N 2 1 256.350 -0.944 20 0 CBADMP CC[NH2+]CCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655961310 420282812 /nfs/dbraw/zinc/28/28/12/420282812.db2.gz NFWSJWSATLOCHD-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+](C)CCn1ccc(NC(=O)N2CC[NH+](C)CC2)n1 ZINC000438709827 420285544 /nfs/dbraw/zinc/28/55/44/420285544.db2.gz BSEDUXRCEUECGP-UHFFFAOYSA-N 2 1 280.376 0.224 20 0 CBADMP O=C(NCCC1CC[NH2+]CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968641 420285640 /nfs/dbraw/zinc/28/56/40/420285640.db2.gz BXUAGFCPAIJBAE-UONOGXRCSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC000655094453 420220616 /nfs/dbraw/zinc/22/06/16/420220616.db2.gz GIUINIZOIMJQJY-WOPDTQHZSA-N 2 1 255.362 -0.396 20 0 CBADMP C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)CC(C)(C)N ZINC000656786465 420321938 /nfs/dbraw/zinc/32/19/38/420321938.db2.gz ZIKBGSCTJAXXNN-NSHDSACASA-N 2 1 256.394 -0.147 20 0 CBADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)CC(C)(C)N ZINC000656786465 420321943 /nfs/dbraw/zinc/32/19/43/420321943.db2.gz ZIKBGSCTJAXXNN-NSHDSACASA-N 2 1 256.394 -0.147 20 0 CBADMP CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCN(C)CC2)C1 ZINC000510116980 420357364 /nfs/dbraw/zinc/35/73/64/420357364.db2.gz DABQJYBFIBRSRF-TXEJJXNPSA-N 2 1 255.362 -0.130 20 0 CBADMP CO[C@H]1C[C@@H](N(C)CC(=O)N2CCN(C)CC2)C1 ZINC000510116980 420357369 /nfs/dbraw/zinc/35/73/69/420357369.db2.gz DABQJYBFIBRSRF-TXEJJXNPSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656021607 420292741 /nfs/dbraw/zinc/29/27/41/420292741.db2.gz CYGZRVHKSIRYHT-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP [NH3+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656019612 420293288 /nfs/dbraw/zinc/29/32/88/420293288.db2.gz HNPRKPDFRSZYDA-WDEREUQCSA-N 2 1 268.361 -0.806 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)CN2CC(C)(C)C2)C1 ZINC000517245625 420374053 /nfs/dbraw/zinc/37/40/53/420374053.db2.gz XAAJQNNHIJSPSS-ZDUSSCGKSA-N 2 1 255.362 -0.489 20 0 CBADMP O=C(C(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000517731050 420380371 /nfs/dbraw/zinc/38/03/71/420380371.db2.gz DVXKOVZMYXNWMT-UPJWGTAASA-N 2 1 292.383 -0.887 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CC[NH2+]C1CC1 ZINC000519614611 420384014 /nfs/dbraw/zinc/38/40/14/420384014.db2.gz NXAKKKXXVOCNQV-LBPRGKRZSA-N 2 1 268.405 -0.119 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000519704263 420385900 /nfs/dbraw/zinc/38/59/00/420385900.db2.gz MBSICODRUROTKM-AAEUAGOBSA-N 2 1 265.361 -0.067 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000519704263 420385905 /nfs/dbraw/zinc/38/59/05/420385905.db2.gz MBSICODRUROTKM-AAEUAGOBSA-N 2 1 265.361 -0.067 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CC(F)(F)C[NH3+] ZINC000519652260 420386360 /nfs/dbraw/zinc/38/63/60/420386360.db2.gz JHWLBJYHPZVTEB-VIFPVBQESA-N 2 1 292.330 -0.574 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CC(F)(F)C[NH3+] ZINC000519652260 420386363 /nfs/dbraw/zinc/38/63/63/420386363.db2.gz JHWLBJYHPZVTEB-VIFPVBQESA-N 2 1 292.330 -0.574 20 0 CBADMP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)OCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000674232084 544899287 /nfs/dbraw/zinc/89/92/87/544899287.db2.gz OLSGZWARNHIAMV-GEEKYZPCSA-N 3 1 294.443 -0.695 20 0 CBADMP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)OCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000674232084 544899293 /nfs/dbraw/zinc/89/92/93/544899293.db2.gz OLSGZWARNHIAMV-GEEKYZPCSA-N 2 1 294.443 -0.695 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000673663247 544883741 /nfs/dbraw/zinc/88/37/41/544883741.db2.gz XIGALJDIIJVCNQ-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000673663247 544883743 /nfs/dbraw/zinc/88/37/43/544883743.db2.gz XIGALJDIIJVCNQ-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000673663247 544883747 /nfs/dbraw/zinc/88/37/47/544883747.db2.gz XIGALJDIIJVCNQ-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000673663247 544883751 /nfs/dbraw/zinc/88/37/51/544883751.db2.gz XIGALJDIIJVCNQ-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CCN1CCN(CC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000676348052 544948970 /nfs/dbraw/zinc/94/89/70/544948970.db2.gz NTASWKLVUWYSGJ-UONOGXRCSA-N 2 1 298.431 -0.541 20 0 CBADMP C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)[C@H]1CN(C)CCO1 ZINC000676347983 544948995 /nfs/dbraw/zinc/94/89/95/544948995.db2.gz KYUWSESCEHDERJ-MELADBBJSA-N 2 1 298.431 -0.542 20 0 CBADMP CCN1CCN(CC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000676348050 544949199 /nfs/dbraw/zinc/94/91/99/544949199.db2.gz NTASWKLVUWYSGJ-KBPBESRZSA-N 2 1 298.431 -0.541 20 0 CBADMP CN(CCC[NH2+]C1CC[NH+](C)CC1)S(C)(=O)=O ZINC000675746183 544935790 /nfs/dbraw/zinc/93/57/90/544935790.db2.gz DMHZZROPPSOZDX-UHFFFAOYSA-N 2 1 263.407 -0.048 20 0 CBADMP C[C@@H](NC(=O)NCCC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676289517 544945441 /nfs/dbraw/zinc/94/54/41/544945441.db2.gz OHFYRUYMRCKTHN-NEPJUHHUSA-N 2 1 272.393 -0.044 20 0 CBADMP C[C@@H](NC(=O)NCCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676289517 544945447 /nfs/dbraw/zinc/94/54/47/544945447.db2.gz OHFYRUYMRCKTHN-NEPJUHHUSA-N 2 1 272.393 -0.044 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000677887001 544988816 /nfs/dbraw/zinc/98/88/16/544988816.db2.gz YQHPPPOHHBBJGM-HUUCEWRRSA-N 2 1 292.427 -0.023 20 0 CBADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677887001 544988821 /nfs/dbraw/zinc/98/88/21/544988821.db2.gz YQHPPPOHHBBJGM-HUUCEWRRSA-N 2 1 292.427 -0.023 20 0 CBADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677887001 544988827 /nfs/dbraw/zinc/98/88/27/544988827.db2.gz YQHPPPOHHBBJGM-HUUCEWRRSA-N 2 1 292.427 -0.023 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NCCC[N@@H+](C)CCOC ZINC000659437790 420419369 /nfs/dbraw/zinc/41/93/69/420419369.db2.gz HVEGHNLDMGLXPN-NSHDSACASA-N 2 1 260.382 -0.138 20 0 CBADMP C[C@H](NC(=O)N(C)CCC[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000659471137 420421827 /nfs/dbraw/zinc/42/18/27/420421827.db2.gz OAQCTMOLNUCDBY-WDEREUQCSA-N 2 1 258.366 -0.304 20 0 CBADMP C[C@H](NC(=O)N(C)CCC[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000659471137 420421831 /nfs/dbraw/zinc/42/18/31/420421831.db2.gz OAQCTMOLNUCDBY-WDEREUQCSA-N 2 1 258.366 -0.304 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000659459041 420421926 /nfs/dbraw/zinc/42/19/26/420421926.db2.gz YBPHTFPHLXQIDN-VXGBXAGGSA-N 2 1 272.393 -0.138 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000659458817 420421976 /nfs/dbraw/zinc/42/19/76/420421976.db2.gz UKDKQTPXHQDNEL-MNOVXSKESA-N 2 1 258.366 -0.386 20 0 CBADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262565978 230192308 /nfs/dbraw/zinc/19/23/08/230192308.db2.gz XUQRUIYKXCNZLC-LSDHHAIUSA-N 2 1 289.379 -0.116 20 0 CBADMP O=C(NCC[N@H+]1CCc2ccccc2C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262565978 230192312 /nfs/dbraw/zinc/19/23/12/230192312.db2.gz XUQRUIYKXCNZLC-LSDHHAIUSA-N 2 1 289.379 -0.116 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@H+]1C ZINC000343286209 230232361 /nfs/dbraw/zinc/23/23/61/230232361.db2.gz XORIQPXPXZPCFF-HZSPNIEDSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1C ZINC000343286209 230232366 /nfs/dbraw/zinc/23/23/66/230232366.db2.gz XORIQPXPXZPCFF-HZSPNIEDSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC[NH+]1C ZINC000343286209 230232371 /nfs/dbraw/zinc/23/23/71/230232371.db2.gz XORIQPXPXZPCFF-HZSPNIEDSA-N 2 1 280.416 -0.025 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659508387 420425315 /nfs/dbraw/zinc/42/53/15/420425315.db2.gz USKGVUQTUUWWIC-ZDUSSCGKSA-N 2 1 283.420 -0.325 20 0 CBADMP Cc1cn2c(n1)CN(C(=O)[C@@H]1C[N@H+]3CCN1CCC3)CC2 ZINC000679909029 545033845 /nfs/dbraw/zinc/03/38/45/545033845.db2.gz QSNNPSYBDUWSRJ-ZDUSSCGKSA-N 2 1 289.383 -0.076 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000680833516 545040739 /nfs/dbraw/zinc/04/07/39/545040739.db2.gz ZMTHAZRLPVZEIB-YPMHNXCESA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000680833516 545040740 /nfs/dbraw/zinc/04/07/40/545040740.db2.gz ZMTHAZRLPVZEIB-YPMHNXCESA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000680833516 545040741 /nfs/dbraw/zinc/04/07/41/545040741.db2.gz ZMTHAZRLPVZEIB-YPMHNXCESA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659750058 420467785 /nfs/dbraw/zinc/46/77/85/420467785.db2.gz DFWBZTDBDDTENB-WDEREUQCSA-N 2 1 284.404 -0.301 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659757573 420468989 /nfs/dbraw/zinc/46/89/89/420468989.db2.gz ZTVWOHKUZBWFGJ-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659755710 420469518 /nfs/dbraw/zinc/46/95/18/420469518.db2.gz ZFNRNOQVQUBCHT-ZYHUDNBSSA-N 2 1 282.388 -0.594 20 0 CBADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NCC12CC(C1)C[NH2+]2 ZINC000659613447 420437590 /nfs/dbraw/zinc/43/75/90/420437590.db2.gz GWLWGVPTDPVFSG-OWYJLGKBSA-N 2 1 296.415 -0.116 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659615162 420438695 /nfs/dbraw/zinc/43/86/95/420438695.db2.gz HUXFKVUMLUDKHV-KGPNIALWSA-N 2 1 268.361 -0.896 20 0 CBADMP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000659619745 420438977 /nfs/dbraw/zinc/43/89/77/420438977.db2.gz STGKMORRUYICBZ-YNEHKIRRSA-N 2 1 284.404 -0.180 20 0 CBADMP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000659622359 420439200 /nfs/dbraw/zinc/43/92/00/420439200.db2.gz PGENFWHOPAEIDB-DGCLKSJQSA-N 2 1 272.393 -0.274 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000659639051 420441249 /nfs/dbraw/zinc/44/12/49/420441249.db2.gz JINMSPMXOJKFJF-QWHCGFSZSA-N 2 1 285.436 -0.081 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000659636634 420442137 /nfs/dbraw/zinc/44/21/37/420442137.db2.gz XSZOSVVZDIRMHB-SDDRHHMPSA-N 2 1 272.393 -0.309 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000659636183 420442415 /nfs/dbraw/zinc/44/24/15/420442415.db2.gz NHRFQCRIWUVWSN-OUAUKWLOSA-N 2 1 256.350 -0.945 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000659643662 420443024 /nfs/dbraw/zinc/44/30/24/420443024.db2.gz STAKPMWRMNCWIV-WDEREUQCSA-N 2 1 258.366 -0.698 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000659643662 420443025 /nfs/dbraw/zinc/44/30/25/420443025.db2.gz STAKPMWRMNCWIV-WDEREUQCSA-N 2 1 258.366 -0.698 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659680796 420447292 /nfs/dbraw/zinc/44/72/92/420447292.db2.gz LGUSZYKCAFWJGZ-XQQFMLRXSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@H+]1C ZINC000659679541 420447364 /nfs/dbraw/zinc/44/73/64/420447364.db2.gz ZIPXYXFALHABKP-NGWKBDRKSA-N 2 1 294.399 -0.465 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000659681360 420447935 /nfs/dbraw/zinc/44/79/35/420447935.db2.gz GVXVEPRNCOBZOH-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000659677663 420448040 /nfs/dbraw/zinc/44/80/40/420448040.db2.gz GUQKGFMDOPWMGG-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659686540 420448509 /nfs/dbraw/zinc/44/85/09/420448509.db2.gz FYJAOVBWUNBJEK-LOIXOFCESA-N 2 1 292.383 -0.711 20 0 CBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659687329 420448837 /nfs/dbraw/zinc/44/88/37/420448837.db2.gz TZDZCSICFNCONW-DGCLKSJQSA-N 2 1 296.415 -0.171 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659687364 420449178 /nfs/dbraw/zinc/44/91/78/420449178.db2.gz URLMMSBVRDDVNL-SNVBAGLBSA-N 2 1 282.388 -0.465 20 0 CBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000659684998 420449345 /nfs/dbraw/zinc/44/93/45/420449345.db2.gz MPWVMDWZLNDPTN-GFCCVEGCSA-N 2 1 284.404 -0.314 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659692627 420450127 /nfs/dbraw/zinc/45/01/27/420450127.db2.gz UIEZRTNIOQGOQI-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000659696322 420451047 /nfs/dbraw/zinc/45/10/47/420451047.db2.gz KUEHJMRCIFLUFK-WODVXLOZSA-N 2 1 296.415 -0.158 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659699678 420451563 /nfs/dbraw/zinc/45/15/63/420451563.db2.gz SJAVORZLJVXKDF-UHFFFAOYSA-N 2 1 294.399 -0.545 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659698245 420451708 /nfs/dbraw/zinc/45/17/08/420451708.db2.gz DCPRKAJTORWKGX-BZUNDVKYSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1CC1 ZINC000659699187 420452099 /nfs/dbraw/zinc/45/20/99/420452099.db2.gz MNEMAFPBFVIFOH-UHFFFAOYSA-N 2 1 284.404 -0.217 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000659702014 420453008 /nfs/dbraw/zinc/45/30/08/420453008.db2.gz KVNHUGUWGXTXTJ-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000659704343 420453303 /nfs/dbraw/zinc/45/33/03/420453303.db2.gz KJLDWITVKLBMDW-ZYHUDNBSSA-N 2 1 282.388 -0.689 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000659708819 420454052 /nfs/dbraw/zinc/45/40/52/420454052.db2.gz ABZBRKPVICSRRI-RYUDHWBXSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659712084 420454893 /nfs/dbraw/zinc/45/48/93/420454893.db2.gz HBUNRIYIYJQDCS-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000659711904 420455228 /nfs/dbraw/zinc/45/52/28/420455228.db2.gz FGDYSMDRCOCQQS-QWHCGFSZSA-N 2 1 296.415 -0.297 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000659711905 420455459 /nfs/dbraw/zinc/45/54/59/420455459.db2.gz FGDYSMDRCOCQQS-STQMWFEESA-N 2 1 296.415 -0.297 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000659712819 420455910 /nfs/dbraw/zinc/45/59/10/420455910.db2.gz MFDQWWMGQUTPPL-VXGBXAGGSA-N 2 1 296.415 -0.156 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000659714003 420456488 /nfs/dbraw/zinc/45/64/88/420456488.db2.gz IOSXFXRJRBFAKY-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659715519 420456671 /nfs/dbraw/zinc/45/66/71/420456671.db2.gz PTMXBUJDMUQOJJ-NXEZZACHSA-N 2 1 270.377 -0.561 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000659715465 420456790 /nfs/dbraw/zinc/45/67/90/420456790.db2.gz VHVUFHLXSZZKDI-LLVKDONJSA-N 2 1 282.388 -0.689 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659715018 420457304 /nfs/dbraw/zinc/45/73/04/420457304.db2.gz ZVIXWMZTNCEZNZ-LBPRGKRZSA-N 2 1 282.388 -0.545 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000659716109 420457419 /nfs/dbraw/zinc/45/74/19/420457419.db2.gz VLMZGRSTDJJIDS-QWHCGFSZSA-N 2 1 296.415 -0.297 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000659716137 420458085 /nfs/dbraw/zinc/45/80/85/420458085.db2.gz WIEVZNSGQZQBLC-VXGBXAGGSA-N 2 1 296.415 -0.171 20 0 CBADMP CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659719616 420458798 /nfs/dbraw/zinc/45/87/98/420458798.db2.gz IOBXNDFTBOKGQO-SNVBAGLBSA-N 2 1 284.404 -0.171 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000659720866 420459308 /nfs/dbraw/zinc/45/93/08/420459308.db2.gz FXLNHBOFOKGJOB-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000659720869 420459554 /nfs/dbraw/zinc/45/95/54/420459554.db2.gz FXPGMIXGGGQZCY-FRRDWIJNSA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000659725128 420460467 /nfs/dbraw/zinc/46/04/67/420460467.db2.gz XPOHWLLFPWQZCK-RWMBFGLXSA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000659725127 420460493 /nfs/dbraw/zinc/46/04/93/420460493.db2.gz XPOHWLLFPWQZCK-FRRDWIJNSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659736507 420463076 /nfs/dbraw/zinc/46/30/76/420463076.db2.gz MZFXBKSQHFQLQV-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000659738280 420463362 /nfs/dbraw/zinc/46/33/62/420463362.db2.gz DGZVYXTZNWPHJU-AGIUHOORSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000659738468 420463636 /nfs/dbraw/zinc/46/36/36/420463636.db2.gz DZLOBMWOQRIAPH-GRYCIOLGSA-N 2 1 282.388 -0.608 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000659739509 420464818 /nfs/dbraw/zinc/46/48/18/420464818.db2.gz WLXRDRKWPYYXAF-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659750055 420467018 /nfs/dbraw/zinc/46/70/18/420467018.db2.gz DFWBZTDBDDTENB-GHMZBOCLSA-N 2 1 284.404 -0.301 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000659750957 420467062 /nfs/dbraw/zinc/46/70/62/420467062.db2.gz DZMKUYFXGOESDO-TUAOUCFPSA-N 2 1 282.388 -0.737 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000659750853 420467170 /nfs/dbraw/zinc/46/71/70/420467170.db2.gz QNLYKEHBGHDSDS-TUAOUCFPSA-N 2 1 284.404 -0.348 20 0 CBADMP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000591450824 420479267 /nfs/dbraw/zinc/47/92/67/420479267.db2.gz UPFQPINBSGJZIB-LLVKDONJSA-N 2 1 265.361 0.335 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000518997449 265288677 /nfs/dbraw/zinc/28/86/77/265288677.db2.gz XKOXPMUBEKZMLM-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000517358504 269597276 /nfs/dbraw/zinc/59/72/76/269597276.db2.gz FUYYQRLHDGZGSM-ZJUUUORDSA-N 2 1 276.331 -0.749 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(C[NH+](C)C)C2)O1 ZINC000527557658 269621422 /nfs/dbraw/zinc/62/14/22/269621422.db2.gz DGQZHSONWVZZIV-ZYHUDNBSSA-N 2 1 255.362 -0.275 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(C[NH+](C)C)C2)O1 ZINC000527557658 269621424 /nfs/dbraw/zinc/62/14/24/269621424.db2.gz DGQZHSONWVZZIV-ZYHUDNBSSA-N 2 1 255.362 -0.275 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH3+] ZINC000419528940 280097223 /nfs/dbraw/zinc/09/72/23/280097223.db2.gz XCRISCNIECYDTC-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)CC[N@@H+]1C ZINC000423617852 276029493 /nfs/dbraw/zinc/02/94/93/276029493.db2.gz XYFIPUHTBNPTKC-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)CC[N@H+]1C ZINC000423617852 276029494 /nfs/dbraw/zinc/02/94/94/276029494.db2.gz XYFIPUHTBNPTKC-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000420078027 276029548 /nfs/dbraw/zinc/02/95/48/276029548.db2.gz OGZUHJMDWQYSTM-LLVKDONJSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[N@H+]1C ZINC000420078027 276029549 /nfs/dbraw/zinc/02/95/49/276029549.db2.gz OGZUHJMDWQYSTM-LLVKDONJSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000452389568 276210002 /nfs/dbraw/zinc/21/00/02/276210002.db2.gz MPQFXAWMNPJLEJ-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000452389568 276210003 /nfs/dbraw/zinc/21/00/03/276210003.db2.gz MPQFXAWMNPJLEJ-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000452389568 276210004 /nfs/dbraw/zinc/21/00/04/276210004.db2.gz MPQFXAWMNPJLEJ-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000452389568 276210005 /nfs/dbraw/zinc/21/00/05/276210005.db2.gz MPQFXAWMNPJLEJ-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000420156765 276268541 /nfs/dbraw/zinc/26/85/41/276268541.db2.gz NURHFJSUHXIMEE-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419853957 276366314 /nfs/dbraw/zinc/36/63/14/276366314.db2.gz OILNXLCVPIOECO-UHFFFAOYSA-N 2 1 296.415 -0.201 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000419973766 277025631 /nfs/dbraw/zinc/02/56/31/277025631.db2.gz IJEFZKQPHHBIAX-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419689198 277040764 /nfs/dbraw/zinc/04/07/64/277040764.db2.gz ACZVNMSKRSNIIM-VXGBXAGGSA-N 2 1 296.415 -0.156 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343995305 277264679 /nfs/dbraw/zinc/26/46/79/277264679.db2.gz YPAAMQCFTRONAG-KFWWJZLASA-N 2 1 285.432 -0.049 20 0 CBADMP C[NH2+]CCC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000262503272 277265426 /nfs/dbraw/zinc/26/54/26/277265426.db2.gz IVTTWYVNZWZAEV-UHFFFAOYSA-N 2 1 296.415 -0.247 20 0 CBADMP C[NH2+]CCC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000262503272 277265427 /nfs/dbraw/zinc/26/54/27/277265427.db2.gz IVTTWYVNZWZAEV-UHFFFAOYSA-N 2 1 296.415 -0.247 20 0 CBADMP C[NH2+]CCCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186700971 277266407 /nfs/dbraw/zinc/26/64/07/277266407.db2.gz GKKUZRUVNBPRTD-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000353503620 277328304 /nfs/dbraw/zinc/32/83/04/277328304.db2.gz CCAGVJPCYZQWAA-NWDGAFQWSA-N 2 1 273.377 -0.567 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000418416690 277908356 /nfs/dbraw/zinc/90/83/56/277908356.db2.gz VVVRKLQCYKBQJQ-NWDGAFQWSA-N 2 1 272.393 -0.322 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)CCC[N@H+]1C ZINC000343294744 278083592 /nfs/dbraw/zinc/08/35/92/278083592.db2.gz JOSFMTYKMVODLU-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)CCC[NH+]1C ZINC000343294744 278083594 /nfs/dbraw/zinc/08/35/94/278083594.db2.gz JOSFMTYKMVODLU-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CCC[NH+]1C ZINC000343294744 278083596 /nfs/dbraw/zinc/08/35/96/278083596.db2.gz JOSFMTYKMVODLU-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CC1(C)C(=O)NCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000110657757 278179160 /nfs/dbraw/zinc/17/91/60/278179160.db2.gz KWBRSYJOGLDNIN-UHFFFAOYSA-N 2 1 268.361 -0.981 20 0 CBADMP CC1(C)C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000110657757 278179161 /nfs/dbraw/zinc/17/91/61/278179161.db2.gz KWBRSYJOGLDNIN-UHFFFAOYSA-N 2 1 268.361 -0.981 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419695484 278182680 /nfs/dbraw/zinc/18/26/80/278182680.db2.gz MXOJABNGGWKERU-SNVBAGLBSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C[NH+]1CCOCC1 ZINC000333562307 278273077 /nfs/dbraw/zinc/27/30/77/278273077.db2.gz LMJYKHLLEOYLNA-MJBXVCDLSA-N 2 1 296.415 -0.042 20 0 CBADMP CC1(C)CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC[NH2+]1 ZINC000332702627 278292729 /nfs/dbraw/zinc/29/27/29/278292729.db2.gz YJKMMWLOWPNWHF-LBPRGKRZSA-N 2 1 294.399 -0.497 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000246504818 278294068 /nfs/dbraw/zinc/29/40/68/278294068.db2.gz QDBSTAVHFJWIQP-AGIUHOORSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000246504818 278294072 /nfs/dbraw/zinc/29/40/72/278294072.db2.gz QDBSTAVHFJWIQP-AGIUHOORSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429680451 278377117 /nfs/dbraw/zinc/37/71/17/278377117.db2.gz SWMLBFIGWXUWEW-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429680451 278377119 /nfs/dbraw/zinc/37/71/19/278377119.db2.gz SWMLBFIGWXUWEW-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C[C@H](C)[NH2+]1 ZINC000423515631 278391372 /nfs/dbraw/zinc/39/13/72/278391372.db2.gz FVWUOOHUPVVNSO-RYUDHWBXSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000342982919 288087528 /nfs/dbraw/zinc/08/75/28/288087528.db2.gz IBOXPNPHCPFSTL-MDZLAQPJSA-N 2 1 257.378 -0.387 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000344212846 288090959 /nfs/dbraw/zinc/09/09/59/288090959.db2.gz OFOKZHWPPADPRR-FRRDWIJNSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000344212846 288090961 /nfs/dbraw/zinc/09/09/61/288090961.db2.gz OFOKZHWPPADPRR-FRRDWIJNSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000344212846 288090962 /nfs/dbraw/zinc/09/09/62/288090962.db2.gz OFOKZHWPPADPRR-FRRDWIJNSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000344212846 288090964 /nfs/dbraw/zinc/09/09/64/288090964.db2.gz OFOKZHWPPADPRR-FRRDWIJNSA-N 2 1 268.405 -0.134 20 0 CBADMP CC[N@@H+](C)CCNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000171726499 279030394 /nfs/dbraw/zinc/03/03/94/279030394.db2.gz ZYYACYDWNCIPNP-ZDUSSCGKSA-N 2 1 285.436 -0.127 20 0 CBADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CN2CCOCC2)C1 ZINC000304696411 279040012 /nfs/dbraw/zinc/04/00/12/279040012.db2.gz ILGBXVFLTITEKK-CABCVRRESA-N 2 1 285.432 -0.047 20 0 CBADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CN2CCOCC2)C1 ZINC000304696411 279040015 /nfs/dbraw/zinc/04/00/15/279040015.db2.gz ILGBXVFLTITEKK-CABCVRRESA-N 2 1 285.432 -0.047 20 0 CBADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000304696411 279040017 /nfs/dbraw/zinc/04/00/17/279040017.db2.gz ILGBXVFLTITEKK-CABCVRRESA-N 2 1 285.432 -0.047 20 0 CBADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000304696411 279040018 /nfs/dbraw/zinc/04/00/18/279040018.db2.gz ILGBXVFLTITEKK-CABCVRRESA-N 2 1 285.432 -0.047 20 0 CBADMP CC[N@@H+](CC(=O)NCCN1CC[NH+](C)CC1)C1CC1 ZINC000442900336 279054695 /nfs/dbraw/zinc/05/46/95/279054695.db2.gz MJELHADXYJNJFI-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)C1CC1 ZINC000419522439 279189973 /nfs/dbraw/zinc/18/99/73/279189973.db2.gz MKUYZDBKPCIREE-HNNXBMFYSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349029321 288115447 /nfs/dbraw/zinc/11/54/47/288115447.db2.gz QLTSJAQAXIMMOT-MFKMUULPSA-N 2 1 267.373 -0.036 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419593073 279268384 /nfs/dbraw/zinc/26/83/84/279268384.db2.gz SNFPWNKUGGDGOI-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419593101 279268396 /nfs/dbraw/zinc/26/83/96/279268396.db2.gz SPAOLBXSGVWGSZ-LLVKDONJSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000262335008 279269084 /nfs/dbraw/zinc/26/90/84/279269084.db2.gz BPNGNSAMYUOINB-SNVBAGLBSA-N 2 1 256.350 -0.948 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000459938607 279283167 /nfs/dbraw/zinc/28/31/67/279283167.db2.gz ZSYCIVQPNOSEMV-UHFFFAOYSA-N 2 1 284.404 -0.439 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000331467374 279283644 /nfs/dbraw/zinc/28/36/44/279283644.db2.gz NREWFTOMAVMCEH-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)COC1C[NH2+]C1 ZINC000430730874 279297299 /nfs/dbraw/zinc/29/72/99/279297299.db2.gz UBQJOYRGBVXWIZ-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000331698058 279323289 /nfs/dbraw/zinc/32/32/89/279323289.db2.gz VDSIGEZSXFKIDL-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351522903 279324876 /nfs/dbraw/zinc/32/48/76/279324876.db2.gz MMIPCGXYWPYNTL-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000419590820 279325219 /nfs/dbraw/zinc/32/52/19/279325219.db2.gz QLTOZZWVBUPBAL-WDEREUQCSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H]1C[NH2+]CCN1C ZINC000423500854 288123855 /nfs/dbraw/zinc/12/38/55/288123855.db2.gz DBCVWDJQUYZWJU-XBFCOCLRSA-N 2 1 252.406 -0.038 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000367407625 279351535 /nfs/dbraw/zinc/35/15/35/279351535.db2.gz IIAZKAHJOJRCJD-ZDUSSCGKSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418202468 279380281 /nfs/dbraw/zinc/38/02/81/279380281.db2.gz UGZAKOCVHLNFCU-STQMWFEESA-N 2 1 285.436 -0.082 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000353380801 279389167 /nfs/dbraw/zinc/38/91/67/279389167.db2.gz DHCVDXNCJODITB-AVGNSLFASA-N 2 1 267.373 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000353380801 279389170 /nfs/dbraw/zinc/38/91/70/279389170.db2.gz DHCVDXNCJODITB-AVGNSLFASA-N 2 1 267.373 -0.225 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000429156729 279389441 /nfs/dbraw/zinc/38/94/41/279389441.db2.gz RWSXDRHBSCOFLA-WOPDTQHZSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000429156729 279389443 /nfs/dbraw/zinc/38/94/43/279389443.db2.gz RWSXDRHBSCOFLA-WOPDTQHZSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C[N@H+]1C1CC1 ZINC000178867380 280006058 /nfs/dbraw/zinc/00/60/58/280006058.db2.gz NQPLSGXMZDNHIN-NHCYSSNCSA-N 2 1 253.346 -0.284 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361738927 280104627 /nfs/dbraw/zinc/10/46/27/280104627.db2.gz GOKZKASTGZJEEH-CRWXNKLISA-N 2 1 279.384 -0.083 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361738927 280104629 /nfs/dbraw/zinc/10/46/29/280104629.db2.gz GOKZKASTGZJEEH-CRWXNKLISA-N 2 1 279.384 -0.083 20 0 CBADMP O=C([C@H]1CCC[NH2+]C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186650873 280132662 /nfs/dbraw/zinc/13/26/62/280132662.db2.gz OAFSKGFXPYYWQK-STQMWFEESA-N 2 1 294.399 -0.591 20 0 CBADMP CC[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000373112578 280201877 /nfs/dbraw/zinc/20/18/77/280201877.db2.gz MJKQWEZXEQNDQQ-CYBMUJFWSA-N 2 1 272.389 -0.084 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000424136052 280250626 /nfs/dbraw/zinc/25/06/26/280250626.db2.gz QDEBHVLLKPDIGP-WOPDTQHZSA-N 2 1 255.362 -0.193 20 0 CBADMP O=C1NC(=O)N2CC[N@@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC000346992746 280279322 /nfs/dbraw/zinc/27/93/22/280279322.db2.gz TXFCBXXIACNDHD-SNVBAGLBSA-N 2 1 252.318 -0.778 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])OC)CC[N@H+]1C[C@@H](C)O ZINC000353434690 280375360 /nfs/dbraw/zinc/37/53/60/280375360.db2.gz VQCPHLIZEHEHNH-UTUOFQBUSA-N 2 1 273.377 -0.736 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000332578855 288300307 /nfs/dbraw/zinc/30/03/07/288300307.db2.gz AMSGJANYSAUXOS-JHJVBQTASA-N 2 1 294.399 -0.369 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000515224659 288300946 /nfs/dbraw/zinc/30/09/46/288300946.db2.gz WYSMKDYLTXDPPL-RTXFEEFZSA-N 2 1 294.399 -0.465 20 0 CBADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCCC[NH3+] ZINC000419831123 288314678 /nfs/dbraw/zinc/31/46/78/288314678.db2.gz LITWJYBNGDMBOC-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000251900787 288310404 /nfs/dbraw/zinc/31/04/04/288310404.db2.gz WJLMKNXWCWQJID-WOPDTQHZSA-N 2 1 253.346 -0.330 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCC[N@H+]1C ZINC000419538916 289049172 /nfs/dbraw/zinc/04/91/72/289049172.db2.gz AKSYXKULUXRDCZ-JHJVBQTASA-N 2 1 296.415 -0.075 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000340510621 289126945 /nfs/dbraw/zinc/12/69/45/289126945.db2.gz OQEOPLXHYOLOBW-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCC[NH2+]C1 ZINC000353592951 289140059 /nfs/dbraw/zinc/14/00/59/289140059.db2.gz UNPSGXNZANBRER-SWLSCSKDSA-N 2 1 296.415 -0.168 20 0 CBADMP 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 290101189 /nfs/dbraw/zinc/10/11/89/290101189.db2.gz YQYNOBYXYCNEKU-JZRPKSSGSA-N 2 1 282.388 -0.699 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000577634694 335383430 /nfs/dbraw/zinc/38/34/30/335383430.db2.gz ZSYKVAFNHLOUFG-VHSXEESVSA-N 2 1 257.334 -0.665 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363256522 295072277 /nfs/dbraw/zinc/07/22/77/295072277.db2.gz LIELMUXHJJSXDX-WOPDTQHZSA-N 2 1 280.372 -0.013 20 0 CBADMP NC(=O)NC(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363256522 295072280 /nfs/dbraw/zinc/07/22/80/295072280.db2.gz LIELMUXHJJSXDX-WOPDTQHZSA-N 2 1 280.372 -0.013 20 0 CBADMP NC(=O)NC(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363256522 295072282 /nfs/dbraw/zinc/07/22/82/295072282.db2.gz LIELMUXHJJSXDX-WOPDTQHZSA-N 2 1 280.372 -0.013 20 0 CBADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@@H]1COCC[NH2+]1 ZINC000424160379 295215573 /nfs/dbraw/zinc/21/55/73/295215573.db2.gz ASCXRYPBXDHNNT-UXGOBAPMSA-N 2 1 253.346 -0.393 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CC[NH3+])C1 ZINC000430897917 295225371 /nfs/dbraw/zinc/22/53/71/295225371.db2.gz RZMZWKUUZHFQCO-SNVBAGLBSA-N 2 1 256.350 -0.961 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC000436052196 295226476 /nfs/dbraw/zinc/22/64/76/295226476.db2.gz CFLHVXWZKMNYBX-GFCCVEGCSA-N 2 1 282.388 -0.416 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC000436052196 295226478 /nfs/dbraw/zinc/22/64/78/295226478.db2.gz CFLHVXWZKMNYBX-GFCCVEGCSA-N 2 1 282.388 -0.416 20 0 CBADMP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331682987 295252173 /nfs/dbraw/zinc/25/21/73/295252173.db2.gz UJIWPUCHGMWWNV-AVGNSLFASA-N 2 1 294.399 -0.321 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332173362 295268804 /nfs/dbraw/zinc/26/88/04/295268804.db2.gz UTEXZTNPKKEPQP-OLZOCXBDSA-N 2 1 294.399 -0.367 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332173362 295268806 /nfs/dbraw/zinc/26/88/06/295268806.db2.gz UTEXZTNPKKEPQP-OLZOCXBDSA-N 2 1 294.399 -0.367 20 0 CBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000423306733 295317717 /nfs/dbraw/zinc/31/77/17/295317717.db2.gz UPCLEMFGRNTUQF-LLVKDONJSA-N 2 1 280.372 -0.757 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367408137 295547491 /nfs/dbraw/zinc/54/74/91/295547491.db2.gz ONLVBEDPGWJPCH-DTWKUNHWSA-N 2 1 263.288 -0.570 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000515224658 297092188 /nfs/dbraw/zinc/09/21/88/297092188.db2.gz WYSMKDYLTXDPPL-RAIGVLPGSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000188213429 297095421 /nfs/dbraw/zinc/09/54/21/297095421.db2.gz WJLMKNXWCWQJID-IJLUTSLNSA-N 2 1 253.346 -0.330 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000424184184 300216076 /nfs/dbraw/zinc/21/60/76/300216076.db2.gz XFCGFDWDLYHNRE-SDDRHHMPSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000333138451 300235096 /nfs/dbraw/zinc/23/50/96/300235096.db2.gz CRABTDIBMDSFMG-WCQYABFASA-N 2 1 294.399 -0.147 20 0 CBADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1S(C)(=O)=O ZINC000346969369 300252615 /nfs/dbraw/zinc/25/26/15/300252615.db2.gz FHHOQUBZIUMTNQ-NSHDSACASA-N 2 1 275.418 -0.048 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000125353883 303268653 /nfs/dbraw/zinc/26/86/53/303268653.db2.gz YWAPKDCRXBNIAW-LPEHRKFASA-N 2 1 254.334 -0.369 20 0 CBADMP [NH3+]CCCn1cc(C(=O)N2CC[NH+](CC3CC3)CC2)nn1 ZINC000570798042 327620019 /nfs/dbraw/zinc/62/00/19/327620019.db2.gz PYBKRFRJCJIYBJ-UHFFFAOYSA-N 2 1 292.387 -0.205 20 0 CBADMP [NH3+]CC1(CC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000563110036 327925012 /nfs/dbraw/zinc/92/50/12/327925012.db2.gz BJSDADLSEQMTKA-GFCCVEGCSA-N 2 1 294.399 -0.462 20 0 CBADMP O=C(COC1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1C(F)F ZINC000564571200 327929123 /nfs/dbraw/zinc/92/91/23/327929123.db2.gz KOYHVFOMQDCFQY-JTQLQIEISA-N 2 1 277.315 -0.180 20 0 CBADMP C[C@H](C(=O)NCC1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000563145916 327929983 /nfs/dbraw/zinc/92/99/83/327929983.db2.gz CKAAHNYWOGOKJM-GFCCVEGCSA-N 2 1 268.405 -0.262 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000563457544 328067883 /nfs/dbraw/zinc/06/78/83/328067883.db2.gz LFILEQYNFVCRDR-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000563584135 328074794 /nfs/dbraw/zinc/07/47/94/328074794.db2.gz KMQFOYAZZMRZEQ-ZDUSSCGKSA-N 2 1 282.388 -0.074 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000571283967 328097678 /nfs/dbraw/zinc/09/76/78/328097678.db2.gz JQBTWOURADSYPQ-GRYCIOLGSA-N 2 1 284.404 -0.171 20 0 CBADMP C[NH2+]C1CC[NH+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000571404134 328119532 /nfs/dbraw/zinc/11/95/32/328119532.db2.gz IKXXQPSZRZIJRJ-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP [NH3+]CCOCC[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000571521953 328131140 /nfs/dbraw/zinc/13/11/40/328131140.db2.gz IQVJRURJMGMILP-NSHDSACASA-N 2 1 251.334 -0.062 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000571518871 328131389 /nfs/dbraw/zinc/13/13/89/328131389.db2.gz AGWIXEABRXQHBE-NSHDSACASA-N 2 1 271.361 -0.131 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000557297410 327000881 /nfs/dbraw/zinc/00/08/81/327000881.db2.gz JYDPISBQVKBBOT-GHMZBOCLSA-N 2 1 282.388 -0.689 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000576458160 327032400 /nfs/dbraw/zinc/03/24/00/327032400.db2.gz TXHAXXDSMXYSEX-VXGBXAGGSA-N 2 1 264.329 -0.472 20 0 CBADMP CCN1CC[NH+](CCC(=O)N(C)C2CC([NH3+])C2)CC1 ZINC000584175383 327058598 /nfs/dbraw/zinc/05/85/98/327058598.db2.gz WGRVMOFDKAVOKY-UHFFFAOYSA-N 2 1 268.405 -0.038 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000569236318 327064397 /nfs/dbraw/zinc/06/43/97/327064397.db2.gz JCEQRTWBQYJVEG-MNOVXSKESA-N 2 1 271.361 -0.277 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC[N@H+]1C ZINC000584221966 327066360 /nfs/dbraw/zinc/06/63/60/327066360.db2.gz MJAVKGAISOAEIJ-KGLIPLIRSA-N 2 1 297.447 -0.128 20 0 CBADMP COC(=O)[C@H]1CN(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000573220105 327128164 /nfs/dbraw/zinc/12/81/64/327128164.db2.gz YBUJLXSTYAOMHD-STQMWFEESA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+](C)C1 ZINC000573220105 327128165 /nfs/dbraw/zinc/12/81/65/327128165.db2.gz YBUJLXSTYAOMHD-STQMWFEESA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+](C)C1 ZINC000573220105 327128166 /nfs/dbraw/zinc/12/81/66/327128166.db2.gz YBUJLXSTYAOMHD-STQMWFEESA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+](C)C1 ZINC000573220105 327128170 /nfs/dbraw/zinc/12/81/70/327128170.db2.gz YBUJLXSTYAOMHD-STQMWFEESA-N 2 1 297.399 -0.109 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)CC1(C)C ZINC000569375444 327168682 /nfs/dbraw/zinc/16/86/82/327168682.db2.gz SDRRIYSIEMHZFD-CYBMUJFWSA-N 2 1 273.421 -0.049 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+](C)CC1(C)C ZINC000569375444 327168684 /nfs/dbraw/zinc/16/86/84/327168684.db2.gz SDRRIYSIEMHZFD-CYBMUJFWSA-N 2 1 273.421 -0.049 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)CC1(C)C ZINC000569375444 327168686 /nfs/dbraw/zinc/16/86/86/327168686.db2.gz SDRRIYSIEMHZFD-CYBMUJFWSA-N 2 1 273.421 -0.049 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000569481226 327184038 /nfs/dbraw/zinc/18/40/38/327184038.db2.gz ARBQNJXUFJQDDZ-QJPTWQEYSA-N 2 1 282.388 -0.560 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000569482190 327184158 /nfs/dbraw/zinc/18/41/58/327184158.db2.gz BEJZVHTVJQZNOT-NEPJUHHUSA-N 2 1 285.388 -0.029 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000573564746 327197951 /nfs/dbraw/zinc/19/79/51/327197951.db2.gz NAOZQLPBYJAAGI-CQSZACIVSA-N 3 1 297.447 -0.789 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000573564746 327197952 /nfs/dbraw/zinc/19/79/52/327197952.db2.gz NAOZQLPBYJAAGI-CQSZACIVSA-N 2 1 297.447 -0.789 20 0 CBADMP NC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569576731 327200744 /nfs/dbraw/zinc/20/07/44/327200744.db2.gz CYDGAYZHMBRBDF-VHSXEESVSA-N 2 1 254.334 -0.497 20 0 CBADMP NC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569576729 327200779 /nfs/dbraw/zinc/20/07/79/327200779.db2.gz CYDGAYZHMBRBDF-NXEZZACHSA-N 2 1 254.334 -0.497 20 0 CBADMP CC(C)[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000583392469 327339951 /nfs/dbraw/zinc/33/99/51/327339951.db2.gz HNJYZUJTCXALGT-LLVKDONJSA-N 2 1 265.361 -0.109 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000574574527 327350919 /nfs/dbraw/zinc/35/09/19/327350919.db2.gz GGWBHUQXKQZITG-GYSYKLTISA-N 2 1 280.372 -0.806 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000579256943 327360833 /nfs/dbraw/zinc/36/08/33/327360833.db2.gz LAJHSSSIZJKWAB-TZMCWYRMSA-N 2 1 267.373 -0.347 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579370333 327364504 /nfs/dbraw/zinc/36/45/04/327364504.db2.gz FSQNLESYHYTTOD-STQMWFEESA-N 2 1 268.405 -0.038 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000579370333 327364505 /nfs/dbraw/zinc/36/45/05/327364505.db2.gz FSQNLESYHYTTOD-STQMWFEESA-N 3 1 268.405 -0.038 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000579370333 327364507 /nfs/dbraw/zinc/36/45/07/327364507.db2.gz FSQNLESYHYTTOD-STQMWFEESA-N 3 1 268.405 -0.038 20 0 CBADMP C[C@H](C(=O)NCC1(O)CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000569621920 327378718 /nfs/dbraw/zinc/37/87/18/327378718.db2.gz SOIVUEUMUCBHOA-GFCCVEGCSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)OC[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000566674177 327436857 /nfs/dbraw/zinc/43/68/57/327436857.db2.gz UEQDUAYPMKFNGS-ZDUSSCGKSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000582733569 329133425 /nfs/dbraw/zinc/13/34/25/329133425.db2.gz HBJBPIXRUOAHDV-OLZOCXBDSA-N 2 1 259.394 -0.439 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000583204371 329363804 /nfs/dbraw/zinc/36/38/04/329363804.db2.gz NMPLWSOJMCUXLO-CYBMUJFWSA-N 2 1 278.356 -0.210 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000583212376 329368630 /nfs/dbraw/zinc/36/86/30/329368630.db2.gz NAWBPFLEPDYHSZ-LBPRGKRZSA-N 2 1 257.378 -0.243 20 0 CBADMP [NH3+][C@@H](C(=O)NCCC[NH+]1CCOCC1)C1CCC1 ZINC000398999462 329447359 /nfs/dbraw/zinc/44/73/59/329447359.db2.gz BUFCUCWWWAPSDH-GFCCVEGCSA-N 2 1 255.362 -0.048 20 0 CBADMP C[C@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)[NH+]1CC(C)C1 ZINC000584539236 329518654 /nfs/dbraw/zinc/51/86/54/329518654.db2.gz MZDMRTSQEJRSID-NWDGAFQWSA-N 2 1 284.404 -0.491 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C2 ZINC000575429433 335103274 /nfs/dbraw/zinc/10/32/74/335103274.db2.gz SEUOVAKFJLKCQK-XBFCOCLRSA-N 2 1 292.383 -0.113 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)CC[C@H]21 ZINC000567573508 334372788 /nfs/dbraw/zinc/37/27/88/334372788.db2.gz ILHJUACESYKJNS-ZYHUDNBSSA-N 2 1 280.372 -0.983 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000575815364 335118424 /nfs/dbraw/zinc/11/84/24/335118424.db2.gz LCTXRRYRAASTNU-LLVKDONJSA-N 2 1 295.387 -0.249 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000576015629 335141816 /nfs/dbraw/zinc/14/18/16/335141816.db2.gz DPJGKNAGLPKHKB-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP CC[N@@H+](C)CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000576035717 335143935 /nfs/dbraw/zinc/14/39/35/335143935.db2.gz VSADMHHEMKXPOG-NSHDSACASA-N 2 1 280.376 -0.288 20 0 CBADMP C[N@@H+](C[C@@H](O)CNCCNC(=O)c1cccnc1)C1CC1 ZINC000576149302 335160712 /nfs/dbraw/zinc/16/07/12/335160712.db2.gz RVXBGDKELNRKIO-AWEZNQCLSA-N 2 1 292.383 -0.144 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CCNC(=O)c1cccnc1)C1CC1 ZINC000576149302 335160714 /nfs/dbraw/zinc/16/07/14/335160714.db2.gz RVXBGDKELNRKIO-AWEZNQCLSA-N 2 1 292.383 -0.144 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCNC(=O)c1cccnc1)C1CC1 ZINC000576149302 335160715 /nfs/dbraw/zinc/16/07/15/335160715.db2.gz RVXBGDKELNRKIO-AWEZNQCLSA-N 2 1 292.383 -0.144 20 0 CBADMP C[N@@H+](C[C@H](O)CNCCNC(=O)c1cccnc1)C1CC1 ZINC000576149303 335160785 /nfs/dbraw/zinc/16/07/85/335160785.db2.gz RVXBGDKELNRKIO-CQSZACIVSA-N 2 1 292.383 -0.144 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CCNC(=O)c1cccnc1)C1CC1 ZINC000576149303 335160788 /nfs/dbraw/zinc/16/07/88/335160788.db2.gz RVXBGDKELNRKIO-CQSZACIVSA-N 2 1 292.383 -0.144 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CCNC(=O)c1cccnc1)C1CC1 ZINC000576149303 335160790 /nfs/dbraw/zinc/16/07/90/335160790.db2.gz RVXBGDKELNRKIO-CQSZACIVSA-N 2 1 292.383 -0.144 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)[C@H]2C1 ZINC000576156811 335161629 /nfs/dbraw/zinc/16/16/29/335161629.db2.gz KJRNWAJXVFFSJM-UPJWGTAASA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000572532739 334352809 /nfs/dbraw/zinc/35/28/09/334352809.db2.gz BUPMVPPZRFOHOF-VXGBXAGGSA-N 2 1 293.433 -0.782 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000572532739 334352811 /nfs/dbraw/zinc/35/28/11/334352811.db2.gz BUPMVPPZRFOHOF-VXGBXAGGSA-N 2 1 293.433 -0.782 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)CC[C@@H]21 ZINC000567573507 334371439 /nfs/dbraw/zinc/37/14/39/334371439.db2.gz ILHJUACESYKJNS-PWSUYJOCSA-N 2 1 280.372 -0.983 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CC[NH2+]C[C@H]2C(F)F)CC1 ZINC000564986292 334532423 /nfs/dbraw/zinc/53/24/23/334532423.db2.gz LGYKRXLXTYGBTJ-NSHDSACASA-N 2 1 290.358 -0.311 20 0 CBADMP COCC[NH+]1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000565836868 334601778 /nfs/dbraw/zinc/60/17/78/334601778.db2.gz YCESDXXEUWAIRA-UHFFFAOYSA-N 2 1 285.388 -0.454 20 0 CBADMP CNC(=O)CC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000565899836 334607572 /nfs/dbraw/zinc/60/75/72/334607572.db2.gz CBTUMCXVGALJIA-UHFFFAOYSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@H](C(=O)N[C@H](C[NH3+])C1CC1)N1CC[NH+](C)CC1 ZINC000566246912 334638472 /nfs/dbraw/zinc/63/84/72/334638472.db2.gz RJQWECAPUMAOKM-ZYHUDNBSSA-N 2 1 254.378 -0.524 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000566249525 334638686 /nfs/dbraw/zinc/63/86/86/334638686.db2.gz VKZPVCCKFQXHRY-QWHCGFSZSA-N 2 1 278.356 -0.082 20 0 CBADMP c1c[nH]c(CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)n1 ZINC000566564833 334655596 /nfs/dbraw/zinc/65/55/96/334655596.db2.gz XCSVINWTVXTUPK-UHFFFAOYSA-N 2 1 278.404 -0.568 20 0 CBADMP Cc1nc(CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)no1 ZINC000567475399 334723466 /nfs/dbraw/zinc/72/34/66/334723466.db2.gz JHWXVXZTVLVSBW-UHFFFAOYSA-N 2 1 294.403 -0.599 20 0 CBADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000567661417 334748035 /nfs/dbraw/zinc/74/80/35/334748035.db2.gz OPXAJZNYZLYTBI-MNOVXSKESA-N 2 1 263.345 -0.148 20 0 CBADMP [NH3+]C[C@H]1CN(C(=O)CC(F)(F)C[NH3+])CCCO1 ZINC000567909308 334774614 /nfs/dbraw/zinc/77/46/14/334774614.db2.gz PYVYNIRDFJCSJO-QMMMGPOBSA-N 2 1 251.277 -0.453 20 0 CBADMP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)N2CCNCC2)CC1 ZINC000568884665 334845180 /nfs/dbraw/zinc/84/51/80/334845180.db2.gz UHMBAODJJNPYCG-GFCCVEGCSA-N 2 1 268.405 -0.133 20 0 CBADMP C[C@H](C[NH2+]CCC(=O)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000568976406 334849057 /nfs/dbraw/zinc/84/90/57/334849057.db2.gz VJECWFGJPFVHCC-LLVKDONJSA-N 2 1 291.417 -0.827 20 0 CBADMP CC(=O)NCC[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000576515300 335213288 /nfs/dbraw/zinc/21/32/88/335213288.db2.gz INWHYOKBCYSWPN-UHFFFAOYSA-N 2 1 270.377 -0.782 20 0 CBADMP CC(=O)NCC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000576515300 335213291 /nfs/dbraw/zinc/21/32/91/335213291.db2.gz INWHYOKBCYSWPN-UHFFFAOYSA-N 2 1 270.377 -0.782 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCOCC3CC3)CCN2C1=O ZINC000576528369 335215418 /nfs/dbraw/zinc/21/54/18/335215418.db2.gz GRVVDCXPWZWEHE-RYUDHWBXSA-N 2 1 253.346 -0.343 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000576588344 335223317 /nfs/dbraw/zinc/22/33/17/335223317.db2.gz QTRCMAOHDWQBBF-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@]1(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000576703816 335237146 /nfs/dbraw/zinc/23/71/46/335237146.db2.gz RQYYDXHCSFPXKX-ZIAGYGMSSA-N 3 1 252.406 -0.035 20 0 CBADMP C[C@@]1(CN2CC[C@@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000576703816 335237147 /nfs/dbraw/zinc/23/71/47/335237147.db2.gz RQYYDXHCSFPXKX-ZIAGYGMSSA-N 2 1 252.406 -0.035 20 0 CBADMP C[C@@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)[NH+]1CC(C)C1 ZINC000576714939 335238999 /nfs/dbraw/zinc/23/89/99/335238999.db2.gz HZAPXYYEGAEWLF-SWLSCSKDSA-N 2 1 281.400 -0.101 20 0 CBADMP O=C(N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000576756663 335244151 /nfs/dbraw/zinc/24/41/51/335244151.db2.gz ORKOZWSGZTYTOM-XUJVJEKNSA-N 2 1 292.383 -0.839 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@H]3CCCC[C@@H]3O)CCN2C1=O ZINC000576837237 335254397 /nfs/dbraw/zinc/25/43/97/335254397.db2.gz GJDBXUMZQZFLDQ-LPWJVIDDSA-N 2 1 267.373 -0.219 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000576941063 335266749 /nfs/dbraw/zinc/26/67/49/335266749.db2.gz TWGXWLBYLWCJQX-GXTWGEPZSA-N 2 1 267.373 -0.176 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000580643489 335310089 /nfs/dbraw/zinc/31/00/89/335310089.db2.gz DKWCOMFUEDDCAR-SRVKXCTJSA-N 2 1 272.393 -0.180 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000580643489 335310091 /nfs/dbraw/zinc/31/00/91/335310091.db2.gz DKWCOMFUEDDCAR-SRVKXCTJSA-N 2 1 272.393 -0.180 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000577209176 335322876 /nfs/dbraw/zinc/32/28/76/335322876.db2.gz TYQWLZGLGBTCPU-NSHDSACASA-N 2 1 268.361 -0.935 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000577209175 335323036 /nfs/dbraw/zinc/32/30/36/335323036.db2.gz TYQWLZGLGBTCPU-LLVKDONJSA-N 2 1 268.361 -0.935 20 0 CBADMP C[C@H](C(=O)NCC[C@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000577514531 335363376 /nfs/dbraw/zinc/36/33/76/335363376.db2.gz IEGIACNHCSDYEK-CHWSQXEVSA-N 2 1 268.405 -0.119 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000577634694 335383429 /nfs/dbraw/zinc/38/34/29/335383429.db2.gz ZSYKVAFNHLOUFG-VHSXEESVSA-N 2 1 257.334 -0.665 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000581071348 336004160 /nfs/dbraw/zinc/00/41/60/336004160.db2.gz DKMILAZLVMXGPS-CHWSQXEVSA-N 2 1 268.405 -0.262 20 0 CBADMP CC[N@H+](C)CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000194838761 336039417 /nfs/dbraw/zinc/03/94/17/336039417.db2.gz BTXPREPNPBBMBX-UHFFFAOYSA-N 2 1 299.419 -0.599 20 0 CBADMP CC[N@@H+](C)CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000194838761 336039419 /nfs/dbraw/zinc/03/94/19/336039419.db2.gz BTXPREPNPBBMBX-UHFFFAOYSA-N 2 1 299.419 -0.599 20 0 CBADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C1CC1 ZINC000581419707 336074210 /nfs/dbraw/zinc/07/42/10/336074210.db2.gz LZUUGZQVCGVIEB-STQMWFEESA-N 2 1 294.399 -0.463 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)c1cnn(C)c1 ZINC000581488081 336088078 /nfs/dbraw/zinc/08/80/78/336088078.db2.gz LIVMIPJPZDFUQS-GHMZBOCLSA-N 2 1 251.334 -0.466 20 0 CBADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000382517946 336092118 /nfs/dbraw/zinc/09/21/18/336092118.db2.gz VEQRZMFGWSODEL-ZDUSSCGKSA-N 2 1 268.361 -0.526 20 0 CBADMP COCC1(C(=O)NCC[N@H+]2CCCOCC2)CC[NH2+]CC1 ZINC000581606389 336111342 /nfs/dbraw/zinc/11/13/42/336111342.db2.gz HWFKHBPZHJJVEO-UHFFFAOYSA-N 2 1 299.415 -0.159 20 0 CBADMP COCCOC[C@@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC000384974430 336135401 /nfs/dbraw/zinc/13/54/01/336135401.db2.gz LTKRZJXOOQHXSA-LBPRGKRZSA-N 2 1 257.334 -0.195 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000581723862 336137513 /nfs/dbraw/zinc/13/75/13/336137513.db2.gz BWWRDKPQSIWMPU-WDEREUQCSA-N 2 1 281.360 -0.521 20 0 CBADMP CCC[N@H+]1CC[C@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC000581879292 336157412 /nfs/dbraw/zinc/15/74/12/336157412.db2.gz BKFPQGRJSARJLV-SNVBAGLBSA-N 2 1 256.350 -0.107 20 0 CBADMP C[NH2+][C@H](C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000581894545 336162249 /nfs/dbraw/zinc/16/22/49/336162249.db2.gz WQZQUFBYUNDWSF-NXEZZACHSA-N 2 1 256.350 -0.950 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)OCCO)C1CC1 ZINC000386465762 336175449 /nfs/dbraw/zinc/17/54/49/336175449.db2.gz TYWGXOZZBIHTAO-GFCCVEGCSA-N 2 1 260.378 -0.181 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)OCCO)C1CC1 ZINC000386465762 336175450 /nfs/dbraw/zinc/17/54/50/336175450.db2.gz TYWGXOZZBIHTAO-GFCCVEGCSA-N 2 1 260.378 -0.181 20 0 CBADMP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221175287 519891104 /nfs/dbraw/zinc/89/11/04/519891104.db2.gz PUKHPARKHVWSTI-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000345305865 518184673 /nfs/dbraw/zinc/18/46/73/518184673.db2.gz DAKJPUCSLCUYQP-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000345305865 518184674 /nfs/dbraw/zinc/18/46/74/518184674.db2.gz DAKJPUCSLCUYQP-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494700816 534453252 /nfs/dbraw/zinc/45/32/52/534453252.db2.gz XLQNEPJAFJRWAF-CHWSQXEVSA-N 2 1 296.415 -0.025 20 0 CBADMP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+](C2CC2)CC1 ZINC000367162120 534635924 /nfs/dbraw/zinc/63/59/24/534635924.db2.gz XPTLZFKJECQMDL-CQSZACIVSA-N 2 1 278.400 -0.317 20 0 CBADMP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CC[NH+](C2CC2)CC1 ZINC000367162120 534635928 /nfs/dbraw/zinc/63/59/28/534635928.db2.gz XPTLZFKJECQMDL-CQSZACIVSA-N 2 1 278.400 -0.317 20 0 CBADMP COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000220662316 523934329 /nfs/dbraw/zinc/93/43/29/523934329.db2.gz FSNXJKOCTDVEIB-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1CC ZINC000377292009 528746082 /nfs/dbraw/zinc/74/60/82/528746082.db2.gz OOWQMMORFXEFDQ-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1CC ZINC000377292009 528746087 /nfs/dbraw/zinc/74/60/87/528746087.db2.gz OOWQMMORFXEFDQ-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000357194379 535187844 /nfs/dbraw/zinc/18/78/44/535187844.db2.gz WDMQASBGNJKNNT-ZIAGYGMSSA-N 2 1 299.415 -0.162 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000357234547 535705143 /nfs/dbraw/zinc/70/51/43/535705143.db2.gz AYHOHZSPBSORAF-STQMWFEESA-N 2 1 270.421 -0.029 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1CC[N@H+](CCOC)C1)c1cnn(C)c1 ZINC000357236247 536387237 /nfs/dbraw/zinc/38/72/37/536387237.db2.gz DUWBWUNHXYOYSQ-STQMWFEESA-N 2 1 295.387 -0.483 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1CC[N@@H+](CCOC)C1)c1cnn(C)c1 ZINC000357236247 536387242 /nfs/dbraw/zinc/38/72/42/536387242.db2.gz DUWBWUNHXYOYSQ-STQMWFEESA-N 2 1 295.387 -0.483 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843461430 583222425 /nfs/dbraw/zinc/22/24/25/583222425.db2.gz QLZUGVCGKGTUJS-MRVPVSSYSA-N 2 1 251.277 -0.535 20 0 CBADMP CC(C)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)NS(C)(=O)=O ZINC000111740922 582115435 /nfs/dbraw/zinc/11/54/35/582115435.db2.gz HKPHSZXLNOJMJN-NSHDSACASA-N 2 1 293.433 -0.640 20 0 CBADMP CC(C)[C@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)[NH+](C)C ZINC000119639052 582117597 /nfs/dbraw/zinc/11/75/97/582117597.db2.gz ITCZIEBKGXDACJ-CYBMUJFWSA-N 2 1 284.404 -0.362 20 0 CBADMP C[NH+](C)CCOCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000234248799 582129740 /nfs/dbraw/zinc/12/97/40/582129740.db2.gz HEVYIQUSDUOBLZ-CYBMUJFWSA-N 3 1 259.394 -0.389 20 0 CBADMP C[NH+](C)CCOCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000234250784 582129808 /nfs/dbraw/zinc/12/98/08/582129808.db2.gz HEVYIQUSDUOBLZ-ZDUSSCGKSA-N 3 1 259.394 -0.389 20 0 CBADMP CCNS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300415415 582130443 /nfs/dbraw/zinc/13/04/43/582130443.db2.gz VMAJYUDLNBBZEL-MNOVXSKESA-N 2 1 263.407 -0.002 20 0 CBADMP CCNS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300415415 582130444 /nfs/dbraw/zinc/13/04/44/582130444.db2.gz VMAJYUDLNBBZEL-MNOVXSKESA-N 2 1 263.407 -0.002 20 0 CBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000727859895 582142652 /nfs/dbraw/zinc/14/26/52/582142652.db2.gz HOKZTMAPRJGHQZ-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000727859895 582142653 /nfs/dbraw/zinc/14/26/53/582142653.db2.gz HOKZTMAPRJGHQZ-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000729651346 582147076 /nfs/dbraw/zinc/14/70/76/582147076.db2.gz VOOOJKVPVVPTNK-GFCCVEGCSA-N 2 1 282.388 -0.830 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000729651346 582147077 /nfs/dbraw/zinc/14/70/77/582147077.db2.gz VOOOJKVPVVPTNK-GFCCVEGCSA-N 2 1 282.388 -0.830 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000729651347 582147180 /nfs/dbraw/zinc/14/71/80/582147180.db2.gz VOOOJKVPVVPTNK-LBPRGKRZSA-N 2 1 282.388 -0.830 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000729651347 582147182 /nfs/dbraw/zinc/14/71/82/582147182.db2.gz VOOOJKVPVVPTNK-LBPRGKRZSA-N 2 1 282.388 -0.830 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000736219647 582200656 /nfs/dbraw/zinc/20/06/56/582200656.db2.gz AHSXICPVHWSLLR-KBPBESRZSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000736219647 582200657 /nfs/dbraw/zinc/20/06/57/582200657.db2.gz AHSXICPVHWSLLR-KBPBESRZSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000746112527 582283501 /nfs/dbraw/zinc/28/35/01/582283501.db2.gz NENHNUBPMPOQDO-TXEJJXNPSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000746112527 582283502 /nfs/dbraw/zinc/28/35/02/582283502.db2.gz NENHNUBPMPOQDO-TXEJJXNPSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1C ZINC000764403538 582323219 /nfs/dbraw/zinc/32/32/19/582323219.db2.gz YJMKFCQWEISWOI-QWHCGFSZSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@H+]1C ZINC000764403538 582323220 /nfs/dbraw/zinc/32/32/20/582323220.db2.gz YJMKFCQWEISWOI-QWHCGFSZSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1C ZINC000764403538 582323221 /nfs/dbraw/zinc/32/32/21/582323221.db2.gz YJMKFCQWEISWOI-QWHCGFSZSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC[NH+]1C ZINC000764403538 582323222 /nfs/dbraw/zinc/32/32/22/582323222.db2.gz YJMKFCQWEISWOI-QWHCGFSZSA-N 2 1 266.389 -0.461 20 0 CBADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCS(N)(=O)=O ZINC000767443207 582332580 /nfs/dbraw/zinc/33/25/80/582332580.db2.gz JLGSVYPLRKDSOZ-UHFFFAOYSA-N 2 1 260.363 -0.198 20 0 CBADMP Cc1[nH+]ccn1CCC[N@H+](C)CCS(N)(=O)=O ZINC000767443207 582332581 /nfs/dbraw/zinc/33/25/81/582332581.db2.gz JLGSVYPLRKDSOZ-UHFFFAOYSA-N 2 1 260.363 -0.198 20 0 CBADMP C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1C ZINC000768849008 582334802 /nfs/dbraw/zinc/33/48/02/582334802.db2.gz ZWYDHRACLDFSFY-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1C ZINC000768849008 582334803 /nfs/dbraw/zinc/33/48/03/582334803.db2.gz ZWYDHRACLDFSFY-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H](CCO)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000779343812 582360973 /nfs/dbraw/zinc/36/09/73/582360973.db2.gz BPSGNNLOVNDLNJ-NWDGAFQWSA-N 2 1 257.378 -0.066 20 0 CBADMP CCNC(=O)CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000779647696 582362224 /nfs/dbraw/zinc/36/22/24/582362224.db2.gz ASQMQWBSBCPHPN-SNVBAGLBSA-N 2 1 272.349 -0.270 20 0 CBADMP CCNC(=O)CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000779647696 582362225 /nfs/dbraw/zinc/36/22/25/582362225.db2.gz ASQMQWBSBCPHPN-SNVBAGLBSA-N 2 1 272.349 -0.270 20 0 CBADMP NC(=O)c1c[nH+]ccc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000785803134 582377185 /nfs/dbraw/zinc/37/71/85/582377185.db2.gz XFDHNOHRVHRYIP-GHMZBOCLSA-N 2 1 276.340 -0.123 20 0 CBADMP NC(=O)c1c[nH+]ccc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000785803134 582377186 /nfs/dbraw/zinc/37/71/86/582377186.db2.gz XFDHNOHRVHRYIP-GHMZBOCLSA-N 2 1 276.340 -0.123 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](CCO)C2CC2)CC1 ZINC000801539956 582424546 /nfs/dbraw/zinc/42/45/46/582424546.db2.gz RJYZUEWEQGMQSW-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2nnn(C)n2)C1 ZINC000809998535 582447745 /nfs/dbraw/zinc/44/77/45/582447745.db2.gz TZBZKUYPCJKVGI-SECBINFHSA-N 2 1 283.336 -0.682 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2nnn(C)n2)C1 ZINC000809998535 582447746 /nfs/dbraw/zinc/44/77/46/582447746.db2.gz TZBZKUYPCJKVGI-SECBINFHSA-N 2 1 283.336 -0.682 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)C1 ZINC000812325680 582451911 /nfs/dbraw/zinc/45/19/11/582451911.db2.gz RCWYOXUXMFEMDN-AGIUHOORSA-N 2 1 267.373 -0.273 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)C1 ZINC000812325680 582451912 /nfs/dbraw/zinc/45/19/12/582451912.db2.gz RCWYOXUXMFEMDN-AGIUHOORSA-N 2 1 267.373 -0.273 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC000812325680 582451913 /nfs/dbraw/zinc/45/19/13/582451913.db2.gz RCWYOXUXMFEMDN-AGIUHOORSA-N 2 1 267.373 -0.273 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC000812325680 582451914 /nfs/dbraw/zinc/45/19/14/582451914.db2.gz RCWYOXUXMFEMDN-AGIUHOORSA-N 2 1 267.373 -0.273 20 0 CBADMP CCS(=O)(=O)CC[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000819061301 582525503 /nfs/dbraw/zinc/52/55/03/582525503.db2.gz KNYOUNGGYKGMLV-UHFFFAOYSA-N 2 1 291.417 -0.825 20 0 CBADMP O[C@@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000819078747 582526032 /nfs/dbraw/zinc/52/60/32/582526032.db2.gz YUBNHDQJSXZNBF-GJZGRUSLSA-N 2 1 283.416 -0.247 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000822158971 582628476 /nfs/dbraw/zinc/62/84/76/582628476.db2.gz LGBLKMCIWMKRPP-ZDUSSCGKSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000822158971 582628479 /nfs/dbraw/zinc/62/84/79/582628479.db2.gz LGBLKMCIWMKRPP-ZDUSSCGKSA-N 2 1 299.415 -0.378 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[N@H+](C)C1 ZINC000823571325 582674463 /nfs/dbraw/zinc/67/44/63/582674463.db2.gz YWNGLQAJXSDHDG-LBPRGKRZSA-N 2 1 283.372 -0.355 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[N@@H+](C)C1 ZINC000823571325 582674465 /nfs/dbraw/zinc/67/44/65/582674465.db2.gz YWNGLQAJXSDHDG-LBPRGKRZSA-N 2 1 283.372 -0.355 20 0 CBADMP Cn1cnc(/C=C/C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000824298522 582692584 /nfs/dbraw/zinc/69/25/84/582692584.db2.gz WCPFLALELLDRFR-OUDYMMNNSA-N 2 1 276.340 -0.289 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCN3CCC4)CC[C@@H]21 ZINC000827290404 582809597 /nfs/dbraw/zinc/80/95/97/582809597.db2.gz TWYIXBDNJNLTBR-QLFBSQMISA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC[C@@H]21 ZINC000827290404 582809599 /nfs/dbraw/zinc/80/95/99/582809599.db2.gz TWYIXBDNJNLTBR-QLFBSQMISA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC[C@@H]21 ZINC000827290404 582809600 /nfs/dbraw/zinc/80/96/00/582809600.db2.gz TWYIXBDNJNLTBR-QLFBSQMISA-N 2 1 292.427 -0.071 20 0 CBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[NH+](C)CC3)CC[C@H]21 ZINC000827313329 582810982 /nfs/dbraw/zinc/81/09/82/582810982.db2.gz ZKUYFTDPIBSSRY-ZIAGYGMSSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[NH+](C)CC3)CC[C@H]21 ZINC000827313329 582810983 /nfs/dbraw/zinc/81/09/83/582810983.db2.gz ZKUYFTDPIBSSRY-ZIAGYGMSSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[NH+](C)CC3)CC[C@@H]21 ZINC000827313327 582811117 /nfs/dbraw/zinc/81/11/17/582811117.db2.gz ZKUYFTDPIBSSRY-KGLIPLIRSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[NH+](C)CC3)CC[C@@H]21 ZINC000827313327 582811120 /nfs/dbraw/zinc/81/11/20/582811120.db2.gz ZKUYFTDPIBSSRY-KGLIPLIRSA-N 2 1 280.416 -0.214 20 0 CBADMP CC(C)(C)[NH2+]CCC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000827578447 582824880 /nfs/dbraw/zinc/82/48/80/582824880.db2.gz XASYXAPUIMBDLW-ZDUSSCGKSA-N 2 1 273.377 -0.768 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@]1(F)CC[NH2+]C1 ZINC000827936224 582836351 /nfs/dbraw/zinc/83/63/51/582836351.db2.gz GZXVLWHOIDRKSM-DMDPSCGWSA-N 2 1 271.336 -0.333 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000828878027 582874859 /nfs/dbraw/zinc/87/48/59/582874859.db2.gz VXEBJYSMHZUYKV-YPMHNXCESA-N 2 1 268.405 -0.134 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000828956274 582879005 /nfs/dbraw/zinc/87/90/05/582879005.db2.gz LFLQEMUKESXJKC-VXGBXAGGSA-N 2 1 255.362 -0.049 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000829287018 582884749 /nfs/dbraw/zinc/88/47/49/582884749.db2.gz NOKYWPLWKSOWSK-JQWIXIFHSA-N 2 1 258.341 -0.950 20 0 CBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484712 582888101 /nfs/dbraw/zinc/88/81/01/582888101.db2.gz WLBLZKKAZCCXTA-WFASDCNBSA-N 2 1 298.406 -0.027 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484712 582888102 /nfs/dbraw/zinc/88/81/02/582888102.db2.gz WLBLZKKAZCCXTA-WFASDCNBSA-N 2 1 298.406 -0.027 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)[C@]1(F)CC[NH2+]C1 ZINC000829478978 582888158 /nfs/dbraw/zinc/88/81/58/582888158.db2.gz QDJDYZAJSYHWDM-NSHDSACASA-N 2 1 261.366 -0.147 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000831971116 583008948 /nfs/dbraw/zinc/00/89/48/583008948.db2.gz SGKJTUNEQHSMIB-NSHDSACASA-N 2 1 280.376 -0.159 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000831970728 583008965 /nfs/dbraw/zinc/00/89/65/583008965.db2.gz KUCXUNRHVAACBF-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CN(CCC[N@H+](C)CCS(C)(=O)=O)CC[NH+](C)C ZINC000839604336 583156917 /nfs/dbraw/zinc/15/69/17/583156917.db2.gz MHVPHEKNZDRKMP-UHFFFAOYSA-N 2 1 279.450 -0.154 20 0 CBADMP CN(CCC[N@@H+](C)CCS(C)(=O)=O)CC[NH+](C)C ZINC000839604336 583156919 /nfs/dbraw/zinc/15/69/19/583156919.db2.gz MHVPHEKNZDRKMP-UHFFFAOYSA-N 2 1 279.450 -0.154 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841789758 583174120 /nfs/dbraw/zinc/17/41/20/583174120.db2.gz QMHPBRZLJZUHGS-SDDRHHMPSA-N 2 1 270.377 -0.114 20 0 CBADMP O=C([C@@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1)N1CC[NH2+]CC1 ZINC000843347853 583211188 /nfs/dbraw/zinc/21/11/88/583211188.db2.gz WSHKETOGNOTASS-NEPJUHHUSA-N 2 1 281.356 -0.554 20 0 CBADMP O=C([C@@H]1CCC[N@H+]([C@H]2CCOC2=O)C1)N1CC[NH2+]CC1 ZINC000843347853 583211190 /nfs/dbraw/zinc/21/11/90/583211190.db2.gz WSHKETOGNOTASS-NEPJUHHUSA-N 2 1 281.356 -0.554 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000843484852 583227328 /nfs/dbraw/zinc/22/73/28/583227328.db2.gz DUIQVNWQKGCFAC-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP CC[NH2+]CC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000843499322 583230942 /nfs/dbraw/zinc/23/09/42/583230942.db2.gz ZIFCRZPALFVOHN-UHFFFAOYSA-N 2 1 268.405 -0.072 20 0 CBADMP COCC[NH+]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844167605 583255801 /nfs/dbraw/zinc/25/58/01/583255801.db2.gz LMTOIUDVRDOXSQ-CYBMUJFWSA-N 2 1 285.388 -0.454 20 0 CBADMP O=C(CO[C@H]1CCC[NH2+]C1)NCC[NH+]1CCSCC1 ZINC000844170322 583256121 /nfs/dbraw/zinc/25/61/21/583256121.db2.gz AAFYHDJAACETGI-LBPRGKRZSA-N 2 1 287.429 -0.080 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844178951 583257822 /nfs/dbraw/zinc/25/78/22/583257822.db2.gz AGZJGEMWSOVBBN-MLGHIDQZSA-N 2 1 265.357 -0.284 20 0 CBADMP O=C(N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@]1(F)CC[NH2+]C1 ZINC000844182137 583258384 /nfs/dbraw/zinc/25/83/84/583258384.db2.gz FMIALMBXTSZQJK-DYEKYZERSA-N 2 1 285.363 -0.254 20 0 CBADMP CC[NH2+]CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000844183183 583259032 /nfs/dbraw/zinc/25/90/32/583259032.db2.gz VQJQNFFWOGBJQB-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH2+]CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000844191203 583260039 /nfs/dbraw/zinc/26/00/39/583260039.db2.gz TUBRZTNFEPDGIT-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[NH2+]CC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000844190822 583260130 /nfs/dbraw/zinc/26/01/30/583260130.db2.gz BLPSRSYASWSMNN-CYBMUJFWSA-N 2 1 270.421 -0.014 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846674476 583382140 /nfs/dbraw/zinc/38/21/40/583382140.db2.gz YZBMLYSFEJYXCR-XFMPKHEZSA-N 2 1 295.383 -0.798 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846718148 583386093 /nfs/dbraw/zinc/38/60/93/583386093.db2.gz SVXKQVCYUFPBKA-OBJOEFQTSA-N 2 1 267.373 -0.177 20 0 CBADMP O[C@H](CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCCC1 ZINC000847040111 583397010 /nfs/dbraw/zinc/39/70/10/583397010.db2.gz NNWDXALGPOONJT-MJBXVCDLSA-N 2 1 269.389 -0.806 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848432240 583446121 /nfs/dbraw/zinc/44/61/21/583446121.db2.gz WICLEUDLSJCKSX-ZIQFBCGOSA-N 2 1 255.362 -0.053 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848432240 583446124 /nfs/dbraw/zinc/44/61/24/583446124.db2.gz WICLEUDLSJCKSX-ZIQFBCGOSA-N 2 1 255.362 -0.053 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848614795 583452856 /nfs/dbraw/zinc/45/28/56/583452856.db2.gz XPQLARDNMVUCMF-QJPTWQEYSA-N 2 1 282.388 -0.417 20 0 CBADMP COC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000848980460 583463616 /nfs/dbraw/zinc/46/36/16/583463616.db2.gz OTCMPSSCYZPDIK-LLVKDONJSA-N 2 1 258.366 -0.142 20 0 CBADMP C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)[NH+](C)C ZINC000848996515 583465292 /nfs/dbraw/zinc/46/52/92/583465292.db2.gz AIUDVVHVWVBVEN-GFCCVEGCSA-N 2 1 271.409 -0.227 20 0 CBADMP COC[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)OC ZINC000849017287 583468654 /nfs/dbraw/zinc/46/86/54/583468654.db2.gz QTSJVIJGFJRJLL-LBPRGKRZSA-N 2 1 288.392 -0.516 20 0 CBADMP CC1(C)[C@@H](O)C[C@@H]1NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849020434 583468794 /nfs/dbraw/zinc/46/87/94/583468794.db2.gz LSZAINDYYLAEQU-RYUDHWBXSA-N 2 1 284.404 -0.018 20 0 CBADMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCCO ZINC000849033852 583469932 /nfs/dbraw/zinc/46/99/32/583469932.db2.gz CBMVBQSZCNVLDR-RYUDHWBXSA-N 2 1 272.393 -0.018 20 0 CBADMP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+]1CCCO ZINC000849033853 583469995 /nfs/dbraw/zinc/46/99/95/583469995.db2.gz CBMVBQSZCNVLDR-VXGBXAGGSA-N 2 1 272.393 -0.018 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCC1(CO)CC1 ZINC000849037770 583470577 /nfs/dbraw/zinc/47/05/77/583470577.db2.gz BHDWBHDHJSBDLK-UHFFFAOYSA-N 2 1 284.404 -0.015 20 0 CBADMP COC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000849038911 583470631 /nfs/dbraw/zinc/47/06/31/583470631.db2.gz YCHATYAPDARIBM-SNVBAGLBSA-N 2 1 258.366 -0.408 20 0 CBADMP C[C@H]1CN(C(=[NH2+])NCC[NH+]2CCC(O)CC2)CCO1 ZINC000849038471 583470717 /nfs/dbraw/zinc/47/07/17/583470717.db2.gz POJDENJEOIJWAY-NSHDSACASA-N 2 1 270.377 -0.312 20 0 CBADMP NC(=O)CC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000849044176 583471433 /nfs/dbraw/zinc/47/14/33/583471433.db2.gz XNLPSOFVXDWOSQ-UHFFFAOYSA-N 2 1 297.403 -0.522 20 0 CBADMP C[N@H+]1CCCN(CCNC2=[NH+]CCCCN2)CC1 ZINC000849215516 583473986 /nfs/dbraw/zinc/47/39/86/583473986.db2.gz ODNGAORMSKREIL-UHFFFAOYSA-N 2 1 253.394 -0.047 20 0 CBADMP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000851657136 583518184 /nfs/dbraw/zinc/51/81/84/583518184.db2.gz VJHOURZQFBZDAG-DNCHLWJUSA-N 2 1 294.399 -0.018 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NCC12CC(C1)C[NH2+]2 ZINC000851657084 583518216 /nfs/dbraw/zinc/51/82/16/583518216.db2.gz UVMCONLIPFGPSZ-DNCHLWJUSA-N 2 1 294.399 -0.099 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NCC12CC(C1)C[NH2+]2 ZINC000851657090 583518293 /nfs/dbraw/zinc/51/82/93/583518293.db2.gz UVMCONLIPFGPSZ-SBEAFCBVSA-N 2 1 294.399 -0.099 20 0 CBADMP CN(CCC[NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000851657291 583518305 /nfs/dbraw/zinc/51/83/05/583518305.db2.gz WOQGUCJMNWNSRM-RYUDHWBXSA-N 2 1 270.377 -0.160 20 0 CBADMP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000851657137 583518321 /nfs/dbraw/zinc/51/83/21/583518321.db2.gz VJHOURZQFBZDAG-FMPXUHTOSA-N 2 1 294.399 -0.018 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000851656436 583518339 /nfs/dbraw/zinc/51/83/39/583518339.db2.gz LCTUZZQFZVWCTC-SRVKXCTJSA-N 2 1 270.377 -0.243 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000851690498 583522164 /nfs/dbraw/zinc/52/21/64/583522164.db2.gz DIIGWCSVBSDQGS-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000851690496 583522189 /nfs/dbraw/zinc/52/21/89/583522189.db2.gz DIIGWCSVBSDQGS-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH2+]C)C1 ZINC000851691606 583522486 /nfs/dbraw/zinc/52/24/86/583522486.db2.gz PMJLFNMTKOGUCM-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852755523 583551875 /nfs/dbraw/zinc/55/18/75/583551875.db2.gz ROGZMBVMDWRNIJ-CMPLNLGQSA-N 2 1 257.334 -0.517 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852755523 583551877 /nfs/dbraw/zinc/55/18/77/583551877.db2.gz ROGZMBVMDWRNIJ-CMPLNLGQSA-N 2 1 257.334 -0.517 20 0 CBADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852760125 583551890 /nfs/dbraw/zinc/55/18/90/583551890.db2.gz ASUFXORXIJSTJR-ZDUSSCGKSA-N 2 1 271.361 -0.127 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852755524 583551955 /nfs/dbraw/zinc/55/19/55/583551955.db2.gz ROGZMBVMDWRNIJ-JQWIXIFHSA-N 2 1 257.334 -0.517 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852755524 583551957 /nfs/dbraw/zinc/55/19/57/583551957.db2.gz ROGZMBVMDWRNIJ-JQWIXIFHSA-N 2 1 257.334 -0.517 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000852857216 583561703 /nfs/dbraw/zinc/56/17/03/583561703.db2.gz MKENERINELXXBC-GRYCIOLGSA-N 2 1 298.387 -0.295 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)=NO1 ZINC000852859319 583562133 /nfs/dbraw/zinc/56/21/33/583562133.db2.gz RMCQVMPKXMNIKC-DCAQKATOSA-N 2 1 266.345 -0.167 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852859391 583562137 /nfs/dbraw/zinc/56/21/37/583562137.db2.gz SGPCWOUUUSEYJP-GHMZBOCLSA-N 2 1 268.361 -0.062 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852859395 583562165 /nfs/dbraw/zinc/56/21/65/583562165.db2.gz SGPCWOUUUSEYJP-QWRGUYRKSA-N 2 1 268.361 -0.062 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852860131 583562173 /nfs/dbraw/zinc/56/21/73/583562173.db2.gz KXMRKYBHEFZYPE-UWVGGRQHSA-N 2 1 254.334 -0.452 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852861765 583562847 /nfs/dbraw/zinc/56/28/47/583562847.db2.gz IYKFCZBIFRGXJK-WDEREUQCSA-N 2 1 268.361 -0.064 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000852864295 583563572 /nfs/dbraw/zinc/56/35/72/583563572.db2.gz RJOGELXTWSXJRT-CYDGBPFRSA-N 2 1 283.372 -0.670 20 0 CBADMP CC[N@@H+](CCNC(=O)C1=NO[C@@H](C[NH3+])C1)C1CC1 ZINC000852864646 583563632 /nfs/dbraw/zinc/56/36/32/583563632.db2.gz CMCADLUVTSBKBV-SNVBAGLBSA-N 2 1 254.334 -0.310 20 0 CBADMP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)=NO1 ZINC000852865619 583564077 /nfs/dbraw/zinc/56/40/77/583564077.db2.gz JZUCHMBUROYGQY-GHMZBOCLSA-N 2 1 266.345 -0.310 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852886970 583569107 /nfs/dbraw/zinc/56/91/07/583569107.db2.gz APYSGONXVDFPCM-SNVBAGLBSA-N 2 1 254.334 -0.357 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000857107569 583664948 /nfs/dbraw/zinc/66/49/48/583664948.db2.gz ZGYQWNAZPIGRND-RYUDHWBXSA-N 2 1 297.403 -0.671 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC[C@H](C)[NH3+])[C@@H](C)C1 ZINC000857108941 583665232 /nfs/dbraw/zinc/66/52/32/583665232.db2.gz SQJMOYUFVDCDOH-SDDRHHMPSA-N 2 1 272.393 -0.180 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000857109538 583665318 /nfs/dbraw/zinc/66/53/18/583665318.db2.gz NJQNJBGUOFPYOV-WDEREUQCSA-N 2 1 258.366 -0.568 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000857109538 583665320 /nfs/dbraw/zinc/66/53/20/583665320.db2.gz NJQNJBGUOFPYOV-WDEREUQCSA-N 2 1 258.366 -0.568 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)NCCC[NH+]1CCOCC1 ZINC000861547040 583770080 /nfs/dbraw/zinc/77/00/80/583770080.db2.gz AVFJPIWQMFAFHA-NSHDSACASA-N 2 1 258.366 -0.303 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000861590775 583771908 /nfs/dbraw/zinc/77/19/08/583771908.db2.gz XNHARUPVZVUSJP-RYUDHWBXSA-N 2 1 272.393 -0.057 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861592908 583771932 /nfs/dbraw/zinc/77/19/32/583771932.db2.gz WLSOPSXNIMZCDB-NSHDSACASA-N 2 1 260.382 -0.057 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000861634749 583773749 /nfs/dbraw/zinc/77/37/49/583773749.db2.gz SDEUVXOUZADPKH-NSHDSACASA-N 2 1 258.366 -0.303 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000861712828 583780504 /nfs/dbraw/zinc/78/05/04/583780504.db2.gz URBYTIKIQCAKSB-RWMBFGLXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000861712828 583780506 /nfs/dbraw/zinc/78/05/06/583780506.db2.gz URBYTIKIQCAKSB-RWMBFGLXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000861712828 583780508 /nfs/dbraw/zinc/78/05/08/583780508.db2.gz URBYTIKIQCAKSB-RWMBFGLXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000861712830 583780515 /nfs/dbraw/zinc/78/05/15/583780515.db2.gz URBYTIKIQCAKSB-YNEHKIRRSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000861712830 583780517 /nfs/dbraw/zinc/78/05/17/583780517.db2.gz URBYTIKIQCAKSB-YNEHKIRRSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000861712830 583780519 /nfs/dbraw/zinc/78/05/19/583780519.db2.gz URBYTIKIQCAKSB-YNEHKIRRSA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000861772992 583785677 /nfs/dbraw/zinc/78/56/77/583785677.db2.gz GDJVZTCKLWCDIP-SRVKXCTJSA-N 2 1 282.388 -0.465 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861786715 583786533 /nfs/dbraw/zinc/78/65/33/583786533.db2.gz OSRARINWWITZBA-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[NH+](C)CCCNC(=S)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863236927 583835214 /nfs/dbraw/zinc/83/52/14/583835214.db2.gz SNMURVOKKVPXNK-LLVKDONJSA-N 2 1 274.434 -0.531 20 0 CBADMP C[C@@H]([NH3+])C[N@H+](C)CCCN1C(=O)NC(C)(C)C1=O ZINC000863569188 583847148 /nfs/dbraw/zinc/84/71/48/583847148.db2.gz RBDCWZPVDMLCPW-SECBINFHSA-N 2 1 256.350 -0.014 20 0 CBADMP C[C@@H]([NH3+])C[N@@H+](C)CCCN1C(=O)NC(C)(C)C1=O ZINC000863569188 583847149 /nfs/dbraw/zinc/84/71/49/583847149.db2.gz RBDCWZPVDMLCPW-SECBINFHSA-N 2 1 256.350 -0.014 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000863750690 583852439 /nfs/dbraw/zinc/85/24/39/583852439.db2.gz VGJIELWMTUFLCJ-LLVKDONJSA-N 2 1 282.388 -0.654 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863751373 583852559 /nfs/dbraw/zinc/85/25/59/583852559.db2.gz HORTZERQCKRNFC-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000863768403 583855230 /nfs/dbraw/zinc/85/52/30/583855230.db2.gz OJZKDUIPBMBNLY-AVGNSLFASA-N 2 1 296.415 -0.265 20 0 CBADMP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000864068183 583869308 /nfs/dbraw/zinc/86/93/08/583869308.db2.gz OHTJEBKREYRUOY-JSGCOSHPSA-N 2 1 267.373 -0.252 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000864068183 583869310 /nfs/dbraw/zinc/86/93/10/583869310.db2.gz OHTJEBKREYRUOY-JSGCOSHPSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]C[C@]23COCCN2C(=O)COC3)CC[N@H+]1C ZINC000866554171 583924098 /nfs/dbraw/zinc/92/40/98/583924098.db2.gz GAZPJVIPFBMPAU-VNHYZAJKSA-N 2 1 297.399 -0.314 20 0 CBADMP Cn1nnnc1CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000866661396 583926204 /nfs/dbraw/zinc/92/62/04/583926204.db2.gz QFIKGPYJUSCNME-GARJFASQSA-N 2 1 250.350 -0.188 20 0 CBADMP CNC(=O)NC[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000866685767 583927228 /nfs/dbraw/zinc/92/72/28/583927228.db2.gz XHQFWNSEVHQTAZ-ZDUSSCGKSA-N 2 1 283.420 -0.325 20 0 CBADMP CCOCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707641 583927735 /nfs/dbraw/zinc/92/77/35/583927735.db2.gz JAJLWZHZWKOWCQ-UTUOFQBUSA-N 2 1 269.345 -0.110 20 0 CBADMP CC1(C)C[C@H](O)C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000866704311 583927744 /nfs/dbraw/zinc/92/77/44/583927744.db2.gz SRLBIHUBTYTNBU-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@H]2CN(CCC(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703164 583927873 /nfs/dbraw/zinc/92/78/73/583927873.db2.gz GEXAFMAKZSYIAG-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP CN1CC[C@@H]([N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866712502 583928374 /nfs/dbraw/zinc/92/83/74/583928374.db2.gz UWJVNZFGPACFFK-KKOKHZNYSA-N 2 1 294.355 -0.916 20 0 CBADMP CN1CC[C@@H]([N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866712502 583928375 /nfs/dbraw/zinc/92/83/75/583928375.db2.gz UWJVNZFGPACFFK-KKOKHZNYSA-N 2 1 294.355 -0.916 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)[C@H]12 ZINC000866717673 583928670 /nfs/dbraw/zinc/92/86/70/583928670.db2.gz MCEXCXHNWUFQKT-UPJWGTAASA-N 2 1 295.383 -0.513 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)[C@H]12 ZINC000866717673 583928672 /nfs/dbraw/zinc/92/86/72/583928672.db2.gz MCEXCXHNWUFQKT-UPJWGTAASA-N 2 1 295.383 -0.513 20 0 CBADMP COCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CCOCC1 ZINC000866717630 583928743 /nfs/dbraw/zinc/92/87/43/583928743.db2.gz KLWYSFMAAKJWKP-UHFFFAOYSA-N 2 1 299.415 -0.064 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000868387142 583976648 /nfs/dbraw/zinc/97/66/48/583976648.db2.gz PXWCOQAAFOBMBG-GRYCIOLGSA-N 2 1 280.372 -0.901 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000868387153 583976676 /nfs/dbraw/zinc/97/66/76/583976676.db2.gz PXWCOQAAFOBMBG-WOPDTQHZSA-N 2 1 280.372 -0.901 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000868386793 583976707 /nfs/dbraw/zinc/97/67/07/583976707.db2.gz JDDUBWURVFHSTM-AGIUHOORSA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC[C@H]21 ZINC000868388586 583976835 /nfs/dbraw/zinc/97/68/35/583976835.db2.gz XVPRHDTUYGFABK-JHJVBQTASA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868388398 583976839 /nfs/dbraw/zinc/97/68/39/583976839.db2.gz SZXDDSJLMHUIMT-AVGNSLFASA-N 2 1 294.399 -0.641 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868388399 583976903 /nfs/dbraw/zinc/97/69/03/583976903.db2.gz SZXDDSJLMHUIMT-RWMBFGLXSA-N 2 1 294.399 -0.641 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868388401 583976978 /nfs/dbraw/zinc/97/69/78/583976978.db2.gz SZXDDSJLMHUIMT-YNEHKIRRSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868392140 583977420 /nfs/dbraw/zinc/97/74/20/583977420.db2.gz SVXMOUKJFKPMJQ-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCC1(C)C ZINC000868406162 583977900 /nfs/dbraw/zinc/97/79/00/583977900.db2.gz MDPQEZDDDFWJHL-LBPRGKRZSA-N 2 1 296.415 -0.121 20 0 CBADMP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000869781105 584004144 /nfs/dbraw/zinc/00/41/44/584004144.db2.gz FCEZBOUNWJQEDX-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000869781105 584004145 /nfs/dbraw/zinc/00/41/45/584004145.db2.gz FCEZBOUNWJQEDX-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP O=C(CCC12CC(C1)C[NH2+]2)N1CC[NH+](CCO)CC1 ZINC000870913722 584021402 /nfs/dbraw/zinc/02/14/02/584021402.db2.gz DWPVZARBAZQGQA-UHFFFAOYSA-N 2 1 267.373 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)CC[C@H]21 ZINC000870981048 584023858 /nfs/dbraw/zinc/02/38/58/584023858.db2.gz FLVJNHFFZJPMDC-JHJVBQTASA-N 2 1 267.373 -0.083 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980906 584023985 /nfs/dbraw/zinc/02/39/85/584023985.db2.gz DSHGDHRCOLVZLF-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000870981246 584024002 /nfs/dbraw/zinc/02/40/02/584024002.db2.gz GTMYURWLSKUALF-UPJWGTAASA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC[C@@H]21 ZINC000870981751 584024020 /nfs/dbraw/zinc/02/40/20/584024020.db2.gz JWZADYYIIRYYDU-ABHRYQDASA-N 2 1 279.384 -0.225 20 0 CBADMP COCCN(C)C(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000871603387 584043270 /nfs/dbraw/zinc/04/32/70/584043270.db2.gz RAEHETYQRNSCPX-UHFFFAOYSA-N 2 1 258.366 -0.189 20 0 CBADMP COCCN(C)C(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000871603758 584043281 /nfs/dbraw/zinc/04/32/81/584043281.db2.gz GKTFPGMXJONRTP-UHFFFAOYSA-N 2 1 271.409 -0.274 20 0 CBADMP C[C@H](O)[C@H](O)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872224487 584051178 /nfs/dbraw/zinc/05/11/78/584051178.db2.gz FBLZWBTVYUVQAV-NUEKZKHPSA-N 2 1 294.395 -0.045 20 0 CBADMP O=C1OC[C@@]2(C[NH2+]C[C@H](O)C[NH+]3CCCC3)COCCN12 ZINC000872227454 584051417 /nfs/dbraw/zinc/05/14/17/584051417.db2.gz FHPYSCQBEZMTAL-GXTWGEPZSA-N 2 1 299.371 -0.746 20 0 CBADMP C[C@]1(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]C1 ZINC000872257791 584052352 /nfs/dbraw/zinc/05/23/52/584052352.db2.gz XACNRVNHNVQJMT-XFMPKHEZSA-N 3 1 294.399 -0.147 20 0 CBADMP C[C@]1(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]C1 ZINC000872257791 584052353 /nfs/dbraw/zinc/05/23/53/584052353.db2.gz XACNRVNHNVQJMT-XFMPKHEZSA-N 3 1 294.399 -0.147 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](C[C@@]3(C)CC[NH2+]C3)C[C@H]2C1=O ZINC000873220789 584068877 /nfs/dbraw/zinc/06/88/77/584068877.db2.gz YOKNTAAPOCVHDF-CWSCBRNRSA-N 2 1 251.330 -0.467 20 0 CBADMP C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)[C@H]1CCC[NH2+]1 ZINC000873249388 584069209 /nfs/dbraw/zinc/06/92/09/584069209.db2.gz NCZXUZUMCQQXBU-DMDPSCGWSA-N 2 1 269.345 -0.062 20 0 CBADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000873262649 584069563 /nfs/dbraw/zinc/06/95/63/584069563.db2.gz OBGRJTCANGFLPZ-MNOVXSKESA-N 2 1 293.433 -0.342 20 0 CBADMP CC[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)[C@@H]1CCC[NH2+]1 ZINC000873266508 584069794 /nfs/dbraw/zinc/06/97/94/584069794.db2.gz OATPMPTYWUPIHZ-YDHLFZDLSA-N 2 1 297.399 -0.266 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C[NH+]2CCCC2)C1 ZINC000874281899 584080517 /nfs/dbraw/zinc/08/05/17/584080517.db2.gz WEWPKMWBZSGJKE-CYBMUJFWSA-N 2 1 296.415 -0.214 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876707323 584140131 /nfs/dbraw/zinc/14/01/31/584140131.db2.gz BGLXJKDANSJLPG-NEPJUHHUSA-N 2 1 273.352 -0.228 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)CC[NH2+]CC2CC2)CC1 ZINC000876725485 584141133 /nfs/dbraw/zinc/14/11/33/584141133.db2.gz KEHODJYAAHDZAU-UHFFFAOYSA-N 2 1 296.415 -0.297 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1c(C[NH3+])cnn1C ZINC000876751443 584142531 /nfs/dbraw/zinc/14/25/31/584142531.db2.gz QCUREZFVNSKSKX-GFCCVEGCSA-N 2 1 295.387 -0.281 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)c1c(C[NH3+])cnn1C ZINC000876771446 584143492 /nfs/dbraw/zinc/14/34/92/584143492.db2.gz SBRCGACOTFTGOV-UHFFFAOYSA-N 2 1 283.376 -0.423 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)c2c(C[NH3+])cnn2C)C1 ZINC000876772550 584143732 /nfs/dbraw/zinc/14/37/32/584143732.db2.gz DOXYOPRKPVWTJW-SNVBAGLBSA-N 2 1 265.361 -0.050 20 0 CBADMP COC[C@]1(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C[NH2+]CCO1 ZINC000876772852 584143889 /nfs/dbraw/zinc/14/38/89/584143889.db2.gz SMCNNMQYGIUJML-IPYPFGDCSA-N 2 1 299.415 -0.068 20 0 CBADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000876784123 584144592 /nfs/dbraw/zinc/14/45/92/584144592.db2.gz XVQYRJQPLLBCQG-YNLGZWBXSA-N 2 1 280.416 -0.240 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000876783515 584144603 /nfs/dbraw/zinc/14/46/03/584144603.db2.gz FHXJNAOCEFEDAE-KBPBESRZSA-N 2 1 297.447 -0.886 20 0 CBADMP COC[C@@]1(C(=O)N2CCC[N@H+](C(C)C)CC2)C[NH2+]CCO1 ZINC000876939286 584156937 /nfs/dbraw/zinc/15/69/37/584156937.db2.gz FVPYGHRKYYHFHH-OAHLLOKOSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH2+]CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000876999563 584160550 /nfs/dbraw/zinc/16/05/50/584160550.db2.gz DHRIYRBOPJXMAF-JTQLQIEISA-N 2 1 256.350 -0.948 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000876999286 584160620 /nfs/dbraw/zinc/16/06/20/584160620.db2.gz DBNQCDZKLUXSNP-GWCFXTLKSA-N 2 1 286.351 -0.856 20 0 CBADMP COC[C@]1(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C[NH2+]CCO1 ZINC000877250110 584172605 /nfs/dbraw/zinc/17/26/05/584172605.db2.gz NJFWPZMJSWBRJS-NFAWXSAZSA-N 2 1 297.399 -0.456 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@H+]1C ZINC000877251288 584172865 /nfs/dbraw/zinc/17/28/65/584172865.db2.gz LUSUKCQSFTYMDE-ZYHUDNBSSA-N 2 1 268.361 -0.111 20 0 CBADMP COC[C@]1(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)C[NH2+]CCO1 ZINC000877251296 584172983 /nfs/dbraw/zinc/17/29/83/584172983.db2.gz MBWCYWXZKLLCAV-HIFRSBDPSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2(CCOC)CC[NH2+]CC2)C1 ZINC000877268177 584174170 /nfs/dbraw/zinc/17/41/70/584174170.db2.gz TUQKSTCMNBBGFK-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC2(CCOC)CC[NH2+]CC2)C1 ZINC000877268177 584174173 /nfs/dbraw/zinc/17/41/73/584174173.db2.gz TUQKSTCMNBBGFK-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CO)C2)CC1 ZINC000877935258 584188195 /nfs/dbraw/zinc/18/81/95/584188195.db2.gz MHTWRDMIVYHKBG-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000877934308 584188264 /nfs/dbraw/zinc/18/82/64/584188264.db2.gz ATVDJSALWWVTPN-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000877934308 584188266 /nfs/dbraw/zinc/18/82/66/584188266.db2.gz ATVDJSALWWVTPN-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878052598 584191619 /nfs/dbraw/zinc/19/16/19/584191619.db2.gz NKJWXTZPJVOJCY-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000878288061 584198466 /nfs/dbraw/zinc/19/84/66/584198466.db2.gz NLOJVWDNTDXODT-AGIUHOORSA-N 2 1 294.403 -0.064 20 0 CBADMP Cn1nnnc1CC[N@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000878288061 584198468 /nfs/dbraw/zinc/19/84/68/584198468.db2.gz NLOJVWDNTDXODT-AGIUHOORSA-N 2 1 294.403 -0.064 20 0 CBADMP C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878319503 584199365 /nfs/dbraw/zinc/19/93/65/584199365.db2.gz UPKWTIQSICANMA-ZYHUDNBSSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H]1O ZINC000878321676 584199776 /nfs/dbraw/zinc/19/97/76/584199776.db2.gz SGPJAOUYEHPCMO-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H]1O ZINC000878336457 584200700 /nfs/dbraw/zinc/20/07/00/584200700.db2.gz YCOVFWQREFTFOS-CMPLNLGQSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H]1O ZINC000878336459 584200825 /nfs/dbraw/zinc/20/08/25/584200825.db2.gz YCOVFWQREFTFOS-PWSUYJOCSA-N 2 1 255.362 -0.491 20 0 CBADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@]1(CO)CCOC1 ZINC000878397990 584202052 /nfs/dbraw/zinc/20/20/52/584202052.db2.gz XMENDAGRSYMOET-AWEZNQCLSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@]1(CO)CCOC1 ZINC000878397990 584202053 /nfs/dbraw/zinc/20/20/53/584202053.db2.gz XMENDAGRSYMOET-AWEZNQCLSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H](O)C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H](C)CO ZINC000878486860 584205250 /nfs/dbraw/zinc/20/52/50/584205250.db2.gz ISNZMIKXXBVVDQ-VXGBXAGGSA-N 2 1 287.404 -0.740 20 0 CBADMP COc1c[nH+]ccc1N1CC[NH+](CCn2cnnn2)CC1 ZINC000878544385 584207605 /nfs/dbraw/zinc/20/76/05/584207605.db2.gz QKANTBMYGDGOGG-UHFFFAOYSA-N 2 1 289.343 -0.101 20 0 CBADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C1(CO)CC1 ZINC000878609995 584210520 /nfs/dbraw/zinc/21/05/20/584210520.db2.gz QYWOQYOIJCJKLU-UHFFFAOYSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C1(CO)CC1 ZINC000878609995 584210523 /nfs/dbraw/zinc/21/05/23/584210523.db2.gz QYWOQYOIJCJKLU-UHFFFAOYSA-N 2 1 255.362 -0.347 20 0 CBADMP CN1C[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C)CC2)CCC1=O ZINC000878645384 584211774 /nfs/dbraw/zinc/21/17/74/584211774.db2.gz KWZFPFQNUIDWCX-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1C[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](C)CC2)CCC1=O ZINC000878645384 584211779 /nfs/dbraw/zinc/21/17/79/584211779.db2.gz KWZFPFQNUIDWCX-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878708989 584215272 /nfs/dbraw/zinc/21/52/72/584215272.db2.gz CMMPLSZBQNKQAI-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](CCO)[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878812263 584217798 /nfs/dbraw/zinc/21/77/98/584217798.db2.gz OGRNAXNJKYHTNX-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP COCC[N@@H+](CCn1cnnn1)CC1CC[NH+](C)CC1 ZINC000879125504 584227114 /nfs/dbraw/zinc/22/71/14/584227114.db2.gz CVSLDIDLGMBVTR-UHFFFAOYSA-N 2 1 282.392 -0.037 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@H](O)C[NH+]1CCCC1 ZINC000879354976 584233017 /nfs/dbraw/zinc/23/30/17/584233017.db2.gz UHYICPWIRYKVRA-AWEZNQCLSA-N 2 1 298.431 -0.851 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)CC[N@H+]1C ZINC000879990631 584258095 /nfs/dbraw/zinc/25/80/95/584258095.db2.gz DXBJPOXBSSBTRQ-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000880420656 584272636 /nfs/dbraw/zinc/27/26/36/584272636.db2.gz LONSCQTYXIGAMV-GWCFXTLKSA-N 2 1 253.346 -0.737 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000880420656 584272638 /nfs/dbraw/zinc/27/26/38/584272638.db2.gz LONSCQTYXIGAMV-GWCFXTLKSA-N 2 1 253.346 -0.737 20 0 CBADMP CO[C@H]1COCC[C@H]1[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000880434822 584273779 /nfs/dbraw/zinc/27/37/79/584273779.db2.gz GWRJWUCXVJVQRM-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000882487027 584318762 /nfs/dbraw/zinc/31/87/62/584318762.db2.gz QUSPNOVSRZQJLV-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000882487027 584318764 /nfs/dbraw/zinc/31/87/64/584318764.db2.gz QUSPNOVSRZQJLV-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)CCC[NH+](C)C ZINC000882764090 584324872 /nfs/dbraw/zinc/32/48/72/584324872.db2.gz JBKPVRSPMPBUDB-LLVKDONJSA-N 2 1 263.407 -0.048 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNS(=O)(=O)CCC[NH+](C)C ZINC000882764090 584324873 /nfs/dbraw/zinc/32/48/73/584324873.db2.gz JBKPVRSPMPBUDB-LLVKDONJSA-N 2 1 263.407 -0.048 20 0 CBADMP CON(C)CC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000883171863 584338617 /nfs/dbraw/zinc/33/86/17/584338617.db2.gz LDPJLMWOLUJODF-UHFFFAOYSA-N 2 1 294.403 -0.189 20 0 CBADMP c1nnnn1CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000883429380 584342052 /nfs/dbraw/zinc/34/20/52/584342052.db2.gz TVISYXPPQNLZCJ-RYUDHWBXSA-N 2 1 250.350 -0.005 20 0 CBADMP NC(=O)C1([NH+]2CCCCC2)CCN(CCOCC[NH3+])CC1 ZINC000883447809 584342925 /nfs/dbraw/zinc/34/29/25/584342925.db2.gz LZNLMHUKEWBSQG-UHFFFAOYSA-N 2 1 298.431 -0.233 20 0 CBADMP O=C(CC[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21)N1CC[NH2+]CC1 ZINC000883462219 584343279 /nfs/dbraw/zinc/34/32/79/584343279.db2.gz MILOLRGFBQZWEU-JSGCOSHPSA-N 2 1 294.399 -0.591 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000884183464 584364695 /nfs/dbraw/zinc/36/46/95/584364695.db2.gz NQWMSRWIKWIZDI-OLZOCXBDSA-N 2 1 287.404 -0.177 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884188691 584364811 /nfs/dbraw/zinc/36/48/11/584364811.db2.gz NOEXKVUZNLJWOO-LBPRGKRZSA-N 2 1 282.388 -0.606 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000884211404 584367340 /nfs/dbraw/zinc/36/73/40/584367340.db2.gz CKBNYJWOYPPYRP-UTUOFQBUSA-N 2 1 271.361 -0.982 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000884233546 584368987 /nfs/dbraw/zinc/36/89/87/584368987.db2.gz RQCHDBDPSGDLLU-DLOVCJGASA-N 2 1 255.362 -0.051 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000884290384 584372587 /nfs/dbraw/zinc/37/25/87/584372587.db2.gz ZKARTHPMPAVKMQ-SFYZADRCSA-N 2 1 251.277 -0.584 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884312555 584373682 /nfs/dbraw/zinc/37/36/82/584373682.db2.gz IYEDIIWXGREGJJ-FRRDWIJNSA-N 2 1 287.404 -0.082 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884312555 584373685 /nfs/dbraw/zinc/37/36/85/584373685.db2.gz IYEDIIWXGREGJJ-FRRDWIJNSA-N 2 1 287.404 -0.082 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884545747 584387351 /nfs/dbraw/zinc/38/73/51/584387351.db2.gz QNNDEHHMUOMTKQ-LLVKDONJSA-N 2 1 279.344 -0.743 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884545536 584387365 /nfs/dbraw/zinc/38/73/65/584387365.db2.gz KOOWQKLKSZZHFP-BETUJISGSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884555054 584387894 /nfs/dbraw/zinc/38/78/94/584387894.db2.gz JWDJVUVABAXPJR-PWSUYJOCSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000884601587 584389706 /nfs/dbraw/zinc/38/97/06/584389706.db2.gz PZKPVMOZEGLLML-JQWIXIFHSA-N 2 1 280.372 -0.840 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[N@@H+](C)C1CC1 ZINC000884616900 584391190 /nfs/dbraw/zinc/39/11/90/584391190.db2.gz DTVJRCJEWNCXGV-GMTAPVOTSA-N 2 1 282.388 -0.467 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884659163 584393150 /nfs/dbraw/zinc/39/31/50/584393150.db2.gz JVTKHQHJLMZKKT-BETUJISGSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000884669902 584393695 /nfs/dbraw/zinc/39/36/95/584393695.db2.gz JUDHHXIXIYWKMH-XQHKEYJVSA-N 2 1 294.399 -0.323 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000884674584 584394600 /nfs/dbraw/zinc/39/46/00/584394600.db2.gz ZUTHCWHLRLZPQM-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000884674584 584394602 /nfs/dbraw/zinc/39/46/02/584394602.db2.gz ZUTHCWHLRLZPQM-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000884678322 584395130 /nfs/dbraw/zinc/39/51/30/584395130.db2.gz WYXAWPXKWCIXBD-WOPDTQHZSA-N 2 1 280.372 -0.983 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1(C)C ZINC000884678824 584395387 /nfs/dbraw/zinc/39/53/87/584395387.db2.gz NLCHYJFNUCWVBY-SNVBAGLBSA-N 2 1 268.361 -0.983 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1(C)C ZINC000884678824 584395390 /nfs/dbraw/zinc/39/53/90/584395390.db2.gz NLCHYJFNUCWVBY-SNVBAGLBSA-N 2 1 268.361 -0.983 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884687603 584396590 /nfs/dbraw/zinc/39/65/90/584396590.db2.gz BRWGMGILSPXPKG-UHFFFAOYSA-N 2 1 270.377 -0.735 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884687603 584396592 /nfs/dbraw/zinc/39/65/92/584396592.db2.gz BRWGMGILSPXPKG-UHFFFAOYSA-N 2 1 270.377 -0.735 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[NH2+]C3CC3)CC[C@H]21 ZINC000884690367 584397324 /nfs/dbraw/zinc/39/73/24/584397324.db2.gz WPOVVEOPJNTIPS-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000884692513 584397563 /nfs/dbraw/zinc/39/75/63/584397563.db2.gz FDOKXZAAQMHGIM-RWMBFGLXSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000884697885 584398394 /nfs/dbraw/zinc/39/83/94/584398394.db2.gz GIIKVHRNXUYBNE-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000884705345 584399494 /nfs/dbraw/zinc/39/94/94/584399494.db2.gz QLVVUUIOUGBFTG-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1(C)C ZINC000884706429 584399653 /nfs/dbraw/zinc/39/96/53/584399653.db2.gz CFTSLEYIDXCMCX-NSHDSACASA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1(C)C ZINC000884706429 584399655 /nfs/dbraw/zinc/39/96/55/584399655.db2.gz CFTSLEYIDXCMCX-NSHDSACASA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1(C)C ZINC000884724058 584400775 /nfs/dbraw/zinc/40/07/75/584400775.db2.gz HNTOXPQRQLILAW-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1(C)C ZINC000884724058 584400778 /nfs/dbraw/zinc/40/07/78/584400778.db2.gz HNTOXPQRQLILAW-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884729207 584401003 /nfs/dbraw/zinc/40/10/03/584401003.db2.gz KMOARLMMPYVJDW-CYDGBPFRSA-N 2 1 296.415 -0.219 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884796225 584402507 /nfs/dbraw/zinc/40/25/07/584402507.db2.gz DCZTVKZTDYVZKD-SNVBAGLBSA-N 2 1 270.377 -0.737 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884796225 584402509 /nfs/dbraw/zinc/40/25/09/584402509.db2.gz DCZTVKZTDYVZKD-SNVBAGLBSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CC[C@@H]([NH+](C)[C@@H](C)C(N)=O)CC1 ZINC000886389505 584438847 /nfs/dbraw/zinc/43/88/47/584438847.db2.gz LZDSWGDDYHTXSK-CDECOKDKSA-N 2 1 284.404 -0.091 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)[C@@H]1CC[C@@H]([N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000886389505 584438849 /nfs/dbraw/zinc/43/88/49/584438849.db2.gz LZDSWGDDYHTXSK-CDECOKDKSA-N 2 1 284.404 -0.091 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)[C@@H]1CC[C@@H]([N@@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000886389505 584438850 /nfs/dbraw/zinc/43/88/50/584438850.db2.gz LZDSWGDDYHTXSK-CDECOKDKSA-N 2 1 284.404 -0.091 20 0 CBADMP CCN(C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000887068110 584461210 /nfs/dbraw/zinc/46/12/10/584461210.db2.gz GCTKAMTVIKDRJJ-XQQFMLRXSA-N 2 1 296.415 -0.252 20 0 CBADMP CCN(C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000887068110 584461212 /nfs/dbraw/zinc/46/12/12/584461212.db2.gz GCTKAMTVIKDRJJ-XQQFMLRXSA-N 2 1 296.415 -0.252 20 0 CBADMP CCN(C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000887070110 584461420 /nfs/dbraw/zinc/46/14/20/584461420.db2.gz FYXIVERWDALHSD-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000887070110 584461421 /nfs/dbraw/zinc/46/14/21/584461421.db2.gz FYXIVERWDALHSD-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000887087980 584462973 /nfs/dbraw/zinc/46/29/73/584462973.db2.gz GQIGUDFCOOTZRA-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000890056200 584539698 /nfs/dbraw/zinc/53/96/98/584539698.db2.gz RJTSXLMRXWSNRV-NEPJUHHUSA-N 2 1 270.377 -0.554 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000890056200 584539700 /nfs/dbraw/zinc/53/97/00/584539700.db2.gz RJTSXLMRXWSNRV-NEPJUHHUSA-N 2 1 270.377 -0.554 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000890056200 584539702 /nfs/dbraw/zinc/53/97/02/584539702.db2.gz RJTSXLMRXWSNRV-NEPJUHHUSA-N 2 1 270.377 -0.554 20 0 CBADMP CCN(C(=O)NCC[N@@H+](C)CCOC)[C@H]1CC[NH2+]C1 ZINC000891493175 584582508 /nfs/dbraw/zinc/58/25/08/584582508.db2.gz NDJCAEKOVKOFKQ-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000891513951 584583317 /nfs/dbraw/zinc/58/33/17/584583317.db2.gz KHPDEANIMLUKMJ-ZDEQEGDKSA-N 2 1 282.388 -0.114 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000891513941 584583337 /nfs/dbraw/zinc/58/33/37/584583337.db2.gz KHPDEANIMLUKMJ-FDYHWXHSSA-N 2 1 282.388 -0.114 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000891513946 584583650 /nfs/dbraw/zinc/58/36/50/584583650.db2.gz KHPDEANIMLUKMJ-RNJOBUHISA-N 2 1 282.388 -0.114 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000891540077 584584654 /nfs/dbraw/zinc/58/46/54/584584654.db2.gz LWDUQKNHAGROLZ-OLZOCXBDSA-N 2 1 283.420 -0.245 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891540416 584584664 /nfs/dbraw/zinc/58/46/64/584584664.db2.gz QWBKZYAEIDWCCC-VXGBXAGGSA-N 2 1 269.393 -0.635 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000891539465 584584829 /nfs/dbraw/zinc/58/48/29/584584829.db2.gz BBCJKILVYSKGBY-YNEHKIRRSA-N 2 1 283.420 -0.199 20 0 CBADMP C[C@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000891583114 584587220 /nfs/dbraw/zinc/58/72/20/584587220.db2.gz KEOBQQOAFZVXLA-JHJVBQTASA-N 2 1 284.404 -0.009 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1C[N@H+](C)CCO1 ZINC000891699013 584590339 /nfs/dbraw/zinc/59/03/39/584590339.db2.gz XPKVXCFBAADSJJ-BJDJZHNGSA-N 2 1 268.361 -0.539 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1C[N@@H+](C)CCO1 ZINC000891699013 584590341 /nfs/dbraw/zinc/59/03/41/584590341.db2.gz XPKVXCFBAADSJJ-BJDJZHNGSA-N 2 1 268.361 -0.539 20 0 CBADMP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[N@H+](C)CCO1 ZINC000891699006 584590472 /nfs/dbraw/zinc/59/04/72/584590472.db2.gz XHVWWCBYJPBWQK-RVMXOQNASA-N 2 1 282.388 -0.149 20 0 CBADMP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[N@@H+](C)CCO1 ZINC000891699006 584590476 /nfs/dbraw/zinc/59/04/76/584590476.db2.gz XHVWWCBYJPBWQK-RVMXOQNASA-N 2 1 282.388 -0.149 20 0 CBADMP C[C@@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000891698971 584590539 /nfs/dbraw/zinc/59/05/39/584590539.db2.gz WBDKIYZBGZNMSO-QVHKTLOISA-N 2 1 296.415 -0.044 20 0 CBADMP C[C@@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000891698971 584590541 /nfs/dbraw/zinc/59/05/41/584590541.db2.gz WBDKIYZBGZNMSO-QVHKTLOISA-N 2 1 296.415 -0.044 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCCN3CC[NH2+]CC3)CC[C@H]21 ZINC000891972849 584596507 /nfs/dbraw/zinc/59/65/07/584596507.db2.gz LUYOQQSFSHBLCS-ZIAGYGMSSA-N 2 1 295.431 -0.373 20 0 CBADMP [NH3+]CCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000891976674 584596908 /nfs/dbraw/zinc/59/69/08/584596908.db2.gz GQXMPEHLXRZPSG-ZDUSSCGKSA-N 2 1 299.419 -0.959 20 0 CBADMP CC(C)([NH3+])CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000892030906 584599899 /nfs/dbraw/zinc/59/98/99/584599899.db2.gz PKRUNVWSHOJXNR-JTQLQIEISA-N 2 1 272.393 -0.132 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000892044043 584600827 /nfs/dbraw/zinc/60/08/27/584600827.db2.gz GOYCPJHYPWXKPJ-QWRGUYRKSA-N 2 1 272.393 -0.274 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000892181827 584607745 /nfs/dbraw/zinc/60/77/45/584607745.db2.gz VYBQNEGMFJJKGG-AGIUHOORSA-N 2 1 282.388 -0.290 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000892331460 584615369 /nfs/dbraw/zinc/61/53/69/584615369.db2.gz WPWKONCHGLFNNG-LBPRGKRZSA-N 2 1 284.404 -0.164 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC000892551835 584618295 /nfs/dbraw/zinc/61/82/95/584618295.db2.gz NIEAFCSPDRGHQT-FRRDWIJNSA-N 2 1 284.404 -0.130 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000892569310 584619194 /nfs/dbraw/zinc/61/91/94/584619194.db2.gz AMZWAPOZTNDQMN-SRVKXCTJSA-N 2 1 270.377 -0.568 20 0 CBADMP C[NH+]1CCC(C[NH+]2CC(n3cc(C(N)=O)nn3)C2)CC1 ZINC000894834750 584665485 /nfs/dbraw/zinc/66/54/85/584665485.db2.gz GFZHIKBNBIXIBX-UHFFFAOYSA-N 2 1 278.360 -0.425 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC1CCN(CC(N)=O)CC1 ZINC000895554636 584681568 /nfs/dbraw/zinc/68/15/68/584681568.db2.gz VQYIKHFWLLVRPZ-GFCCVEGCSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)(C)N1CC[C@@H]1C(=O)NC1CCN(CC(N)=O)CC1 ZINC000895554636 584681569 /nfs/dbraw/zinc/68/15/69/584681569.db2.gz VQYIKHFWLLVRPZ-GFCCVEGCSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000895819299 584687683 /nfs/dbraw/zinc/68/76/83/584687683.db2.gz WNNDVOYMQZYIRT-AAEUAGOBSA-N 2 1 267.373 -0.225 20 0 CBADMP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896531568 584701189 /nfs/dbraw/zinc/70/11/89/584701189.db2.gz PSWNUTWWUHKTGA-UTUOFQBUSA-N 2 1 256.394 -0.313 20 0 CBADMP C[C@H]1[C@@H](NC(=O)N2CCN(C)CC[NH+](C)CC2)CC[N@H+]1C ZINC000896617772 584703979 /nfs/dbraw/zinc/70/39/79/584703979.db2.gz KADYEDBESCXMMB-KBPBESRZSA-N 2 1 297.447 -0.032 20 0 CBADMP C[C@H]1[C@@H](NC(=O)N2CCN(C)CC[N@H+](C)CC2)CC[NH+]1C ZINC000896617772 584703980 /nfs/dbraw/zinc/70/39/80/584703980.db2.gz KADYEDBESCXMMB-KBPBESRZSA-N 2 1 297.447 -0.032 20 0 CBADMP C[C@H]1[C@@H](NC(=O)N2CCN(C)CC[N@@H+](C)CC2)CC[NH+]1C ZINC000896617772 584703981 /nfs/dbraw/zinc/70/39/81/584703981.db2.gz KADYEDBESCXMMB-KBPBESRZSA-N 2 1 297.447 -0.032 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCCn1ccnc1 ZINC000897318637 584712973 /nfs/dbraw/zinc/71/29/73/584712973.db2.gz LJRFELPFDQHSPH-LBPRGKRZSA-N 2 1 293.371 -0.400 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCCn1ccnc1 ZINC000897318637 584712975 /nfs/dbraw/zinc/71/29/75/584712975.db2.gz LJRFELPFDQHSPH-LBPRGKRZSA-N 2 1 293.371 -0.400 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000897341210 584713641 /nfs/dbraw/zinc/71/36/41/584713641.db2.gz HCOWGJQHOQMHJW-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000897341210 584713644 /nfs/dbraw/zinc/71/36/44/584713644.db2.gz HCOWGJQHOQMHJW-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000897469296 584717366 /nfs/dbraw/zinc/71/73/66/584717366.db2.gz HULKKQUEWUFJSH-QWHCGFSZSA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@H]1CC[NH+](CCNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000897469296 584717367 /nfs/dbraw/zinc/71/73/67/584717367.db2.gz HULKKQUEWUFJSH-QWHCGFSZSA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@H]1CC[NH+](CCNC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000897469296 584717369 /nfs/dbraw/zinc/71/73/69/584717369.db2.gz HULKKQUEWUFJSH-QWHCGFSZSA-N 2 1 284.404 -0.306 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000897649257 584721777 /nfs/dbraw/zinc/72/17/77/584721777.db2.gz QBXDCALGFHATHE-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000897649257 584721779 /nfs/dbraw/zinc/72/17/79/584721779.db2.gz QBXDCALGFHATHE-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000897649257 584721781 /nfs/dbraw/zinc/72/17/81/584721781.db2.gz QBXDCALGFHATHE-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000897649257 584721783 /nfs/dbraw/zinc/72/17/83/584721783.db2.gz QBXDCALGFHATHE-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CCN(C(=O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000897834151 584725329 /nfs/dbraw/zinc/72/53/29/584725329.db2.gz CXGMPYIHHZSHIF-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[NH+]1CCN(C(=O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000897834151 584725331 /nfs/dbraw/zinc/72/53/31/584725331.db2.gz CXGMPYIHHZSHIF-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP COCC[NH+](CCOC)C1CN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000898250109 584733317 /nfs/dbraw/zinc/73/33/17/584733317.db2.gz KAMXRSNUBKPSSH-GFCCVEGCSA-N 2 1 287.404 -0.258 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899224862 584753727 /nfs/dbraw/zinc/75/37/27/584753727.db2.gz VLZQPZMPWMFBBN-CHWSQXEVSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[NH+](CC)CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000899904871 584783551 /nfs/dbraw/zinc/78/35/51/584783551.db2.gz RASKTCPCDAWUTM-AAEUAGOBSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CCC[NH+](C)CC2)C1 ZINC000899936329 584785919 /nfs/dbraw/zinc/78/59/19/584785919.db2.gz ZEZXZJTXYSFQLV-AWEZNQCLSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCC[C@](O)(CC(=O)N2CCC[N@H+](C)CC2)C1 ZINC000899936329 584785920 /nfs/dbraw/zinc/78/59/20/584785920.db2.gz ZEZXZJTXYSFQLV-AWEZNQCLSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCC[C@](O)(CC(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000899936329 584785921 /nfs/dbraw/zinc/78/59/21/584785921.db2.gz ZEZXZJTXYSFQLV-AWEZNQCLSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+](C)C(C)(C)CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000899963061 584787041 /nfs/dbraw/zinc/78/70/41/584787041.db2.gz BCBZWMFATIEYAB-GWCFXTLKSA-N 2 1 257.378 -0.102 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000900221403 584795833 /nfs/dbraw/zinc/79/58/33/584795833.db2.gz PGQBYZMWFLZWRY-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000900305190 584799133 /nfs/dbraw/zinc/79/91/33/584799133.db2.gz GWDSJDCSQBXWQE-NQBHXWOUSA-N 2 1 255.362 -0.491 20 0 CBADMP C[NH+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900305190 584799134 /nfs/dbraw/zinc/79/91/34/584799134.db2.gz GWDSJDCSQBXWQE-NQBHXWOUSA-N 2 1 255.362 -0.491 20 0 CBADMP C[NH+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900305190 584799136 /nfs/dbraw/zinc/79/91/36/584799136.db2.gz GWDSJDCSQBXWQE-NQBHXWOUSA-N 2 1 255.362 -0.491 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900306265 584799220 /nfs/dbraw/zinc/79/92/20/584799220.db2.gz QDQNDITXSORPFT-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900306265 584799222 /nfs/dbraw/zinc/79/92/22/584799222.db2.gz QDQNDITXSORPFT-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900306265 584799223 /nfs/dbraw/zinc/79/92/23/584799223.db2.gz QDQNDITXSORPFT-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900306711 584799358 /nfs/dbraw/zinc/79/93/58/584799358.db2.gz UOZKKLWRSPRTHE-YRGRVCCFSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900306711 584799359 /nfs/dbraw/zinc/79/93/59/584799359.db2.gz UOZKKLWRSPRTHE-YRGRVCCFSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900306711 584799361 /nfs/dbraw/zinc/79/93/61/584799361.db2.gz UOZKKLWRSPRTHE-YRGRVCCFSA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900383740 584801682 /nfs/dbraw/zinc/80/16/82/584801682.db2.gz XLDMWXXUQGAFQK-DZGCQCFKSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900604273 584815449 /nfs/dbraw/zinc/81/54/49/584815449.db2.gz SECVVXRBQOTQEO-LBPRGKRZSA-N 2 1 267.373 -0.393 20 0 CBADMP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900605317 584815651 /nfs/dbraw/zinc/81/56/51/584815651.db2.gz IUKLVCORSLLHSN-KCQAQPDRSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900605317 584815652 /nfs/dbraw/zinc/81/56/52/584815652.db2.gz IUKLVCORSLLHSN-KCQAQPDRSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CCC[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900605317 584815653 /nfs/dbraw/zinc/81/56/53/584815653.db2.gz IUKLVCORSLLHSN-KCQAQPDRSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CCC[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900605317 584815654 /nfs/dbraw/zinc/81/56/54/584815654.db2.gz IUKLVCORSLLHSN-KCQAQPDRSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900624323 584816915 /nfs/dbraw/zinc/81/69/15/584816915.db2.gz PLDPVAJJFZPOCW-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP CC[N@H+]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000900634113 584817715 /nfs/dbraw/zinc/81/77/15/584817715.db2.gz SCNAYAIYPDCAKL-GXTWGEPZSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[NH+]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900634113 584817718 /nfs/dbraw/zinc/81/77/18/584817718.db2.gz SCNAYAIYPDCAKL-GXTWGEPZSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[NH+]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900634113 584817721 /nfs/dbraw/zinc/81/77/21/584817721.db2.gz SCNAYAIYPDCAKL-GXTWGEPZSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900686618 584821657 /nfs/dbraw/zinc/82/16/57/584821657.db2.gz NOUSHMPGQMUGLI-UKRRQHHQSA-N 2 1 298.431 -0.805 20 0 CBADMP C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)N1CC[NH+](C)CC1 ZINC000900696251 584822943 /nfs/dbraw/zinc/82/29/43/584822943.db2.gz UHXGFWCANUCRQS-IPYPFGDCSA-N 2 1 298.431 -0.806 20 0 CBADMP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@@H+](C)CCN1C ZINC000900802288 584827724 /nfs/dbraw/zinc/82/77/24/584827724.db2.gz DOAILMUNZBDGRF-QWHCGFSZSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1C[N@@H+](C)CCN1C ZINC000900802289 584827777 /nfs/dbraw/zinc/82/77/77/584827777.db2.gz DOAILMUNZBDGRF-STQMWFEESA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[C@H]1C[NH+](C)CCN1C ZINC000900807997 584827964 /nfs/dbraw/zinc/82/79/64/584827964.db2.gz XVOPBKVBJMQNPA-XPCVCDNBSA-N 2 1 298.431 -0.808 20 0 CBADMP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[C@H]1C[N@H+](C)CCN1C ZINC000900807997 584827965 /nfs/dbraw/zinc/82/79/65/584827965.db2.gz XVOPBKVBJMQNPA-XPCVCDNBSA-N 2 1 298.431 -0.808 20 0 CBADMP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[C@H]1C[N@@H+](C)CCN1C ZINC000900807997 584827966 /nfs/dbraw/zinc/82/79/66/584827966.db2.gz XVOPBKVBJMQNPA-XPCVCDNBSA-N 2 1 298.431 -0.808 20 0 CBADMP COC1CC[NH+](CCNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900980533 584836399 /nfs/dbraw/zinc/83/63/99/584836399.db2.gz MGLDESSHCCRSPB-SWLSCSKDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000901134239 584850995 /nfs/dbraw/zinc/85/09/95/584850995.db2.gz JYODDGWPFAQSSV-NFAWXSAZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1C[N@H+](C)CCO1 ZINC000901139069 584851465 /nfs/dbraw/zinc/85/14/65/584851465.db2.gz QATGVRHUQLEBFL-RYUDHWBXSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1C[N@@H+](C)CCO1 ZINC000901139069 584851467 /nfs/dbraw/zinc/85/14/67/584851467.db2.gz QATGVRHUQLEBFL-RYUDHWBXSA-N 2 1 267.373 -0.083 20 0 CBADMP CS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902464654 584877322 /nfs/dbraw/zinc/87/73/22/584877322.db2.gz BDMYGJVCZSWUED-QJPTWQEYSA-N 2 1 273.402 -0.107 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCO[C@@]23CCOC3)CC1 ZINC000903091165 584889144 /nfs/dbraw/zinc/88/91/44/584889144.db2.gz OKSWAGUCASSKQW-UKRRQHHQSA-N 2 1 297.399 -0.312 20 0 CBADMP CN1CCOC[C@]1(CO)C[NH2+]C1CC[NH+](C)CC1 ZINC000903285816 584890088 /nfs/dbraw/zinc/89/00/88/584890088.db2.gz UOWDSEZBXIKOPL-CYBMUJFWSA-N 2 1 257.378 -0.637 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903423253 584890311 /nfs/dbraw/zinc/89/03/11/584890311.db2.gz QXRGUXNUCUHUPA-UPJWGTAASA-N 3 1 268.405 -0.099 20 0 CBADMP CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903456312 584890606 /nfs/dbraw/zinc/89/06/06/584890606.db2.gz GQMYXHWPYFFMRM-GRYCIOLGSA-N 2 1 275.418 -0.145 20 0 CBADMP CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903456312 584890607 /nfs/dbraw/zinc/89/06/07/584890607.db2.gz GQMYXHWPYFFMRM-GRYCIOLGSA-N 2 1 275.418 -0.145 20 0 CBADMP CON1CC[C@@H]([N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000903458853 584890686 /nfs/dbraw/zinc/89/06/86/584890686.db2.gz LRUOIGFYRPRNLE-VXGBXAGGSA-N 2 1 294.359 -0.464 20 0 CBADMP CON1CC[C@@H]([N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000903458853 584890687 /nfs/dbraw/zinc/89/06/87/584890687.db2.gz LRUOIGFYRPRNLE-VXGBXAGGSA-N 2 1 294.359 -0.464 20 0 CBADMP [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 584891175 /nfs/dbraw/zinc/89/11/75/584891175.db2.gz CDKLOYAVKMCOEW-MRTXSQPYSA-N 3 1 294.399 -0.019 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC000903492429 584891621 /nfs/dbraw/zinc/89/16/21/584891621.db2.gz CSYKIAGAONWEQY-YFCNSXCBSA-N 2 1 295.383 -0.181 20 0 CBADMP CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)C1=O ZINC000903495307 584891864 /nfs/dbraw/zinc/89/18/64/584891864.db2.gz ZWVKGHHUYARFFP-OXIQGZBJSA-N 2 1 295.383 -0.181 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H]1CCN(C)C1=O)C2 ZINC000903493748 584891878 /nfs/dbraw/zinc/89/18/78/584891878.db2.gz WIUYZECNMLFMJP-MIJXAVMKSA-N 2 1 281.356 -0.571 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C2 ZINC000903493167 584891944 /nfs/dbraw/zinc/89/19/44/584891944.db2.gz NIFXRHIPSROWTC-DEKYYXRVSA-N 2 1 283.372 -0.325 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C)c1nnnn1C)C2 ZINC000903493726 584891968 /nfs/dbraw/zinc/89/19/68/584891968.db2.gz WCYNZJPAMHVAFP-COMAGPEQSA-N 2 1 294.359 -0.517 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H](C)c1nnnn1C)C2 ZINC000903493726 584891970 /nfs/dbraw/zinc/89/19/70/584891970.db2.gz WCYNZJPAMHVAFP-COMAGPEQSA-N 2 1 294.359 -0.517 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1CC[NH3+] ZINC000903499765 584892007 /nfs/dbraw/zinc/89/20/07/584892007.db2.gz NFCYUGDPYHCSKY-CHWSQXEVSA-N 3 1 268.405 -0.275 20 0 CBADMP C[C@@H]1C[N@H+](CCC(=O)N2CCNCC2)C[C@H]1CC[NH3+] ZINC000903499765 584892008 /nfs/dbraw/zinc/89/20/08/584892008.db2.gz NFCYUGDPYHCSKY-CHWSQXEVSA-N 2 1 268.405 -0.275 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CCNCC2)C[C@H]1CC[NH3+] ZINC000903499765 584892009 /nfs/dbraw/zinc/89/20/09/584892009.db2.gz NFCYUGDPYHCSKY-CHWSQXEVSA-N 2 1 268.405 -0.275 20 0 CBADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C(=O)N(C)C ZINC000903496917 584892093 /nfs/dbraw/zinc/89/20/93/584892093.db2.gz KDQOCDNOWCALKR-IJLUTSLNSA-N 2 1 284.404 -0.504 20 0 CBADMP COCC[C@H]1C[NH2+]CCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000903574130 584893630 /nfs/dbraw/zinc/89/36/30/584893630.db2.gz OUUBGJDWZHCSBD-RYUDHWBXSA-N 2 1 291.417 -0.622 20 0 CBADMP COCC[C@@H]1C[NH2+]CCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000903574131 584893662 /nfs/dbraw/zinc/89/36/62/584893662.db2.gz OUUBGJDWZHCSBD-VXGBXAGGSA-N 2 1 291.417 -0.622 20 0 CBADMP CC(C)[N@H+](CC(N)=O)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717423 584895689 /nfs/dbraw/zinc/89/56/89/584895689.db2.gz AEZVTDURSKCUFY-YPMHNXCESA-N 2 1 255.362 -0.049 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903716602 584895704 /nfs/dbraw/zinc/89/57/04/584895704.db2.gz QAVDNCIBROUWMT-HUUCEWRRSA-N 3 1 282.432 -0.408 20 0 CBADMP COCCCNC(=O)C[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718132 584895711 /nfs/dbraw/zinc/89/57/11/584895711.db2.gz HFPQVJPQAYLVQC-ZFWWWQNUSA-N 2 1 299.415 -0.161 20 0 CBADMP COCCCNC(=O)C[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718132 584895712 /nfs/dbraw/zinc/89/57/12/584895712.db2.gz HFPQVJPQAYLVQC-ZFWWWQNUSA-N 2 1 299.415 -0.161 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722319 584895744 /nfs/dbraw/zinc/89/57/44/584895744.db2.gz KOZOOFVPZUHTKV-DYEKYZERSA-N 2 1 267.373 -0.035 20 0 CBADMP COCC[N@@H+](CC(=O)N(C)C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723118 584895750 /nfs/dbraw/zinc/89/57/50/584895750.db2.gz UDSLCIJSRPTJHB-UKRRQHHQSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+](CC(=O)N(C)C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723118 584895751 /nfs/dbraw/zinc/89/57/51/584895751.db2.gz UDSLCIJSRPTJHB-UKRRQHHQSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903719776 584895800 /nfs/dbraw/zinc/89/58/00/584895800.db2.gz VSGKZHIXSCILCW-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP COCC[N@@H+](CC(=O)N(C)C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723119 584895830 /nfs/dbraw/zinc/89/58/30/584895830.db2.gz UDSLCIJSRPTJHB-ZFWWWQNUSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+](CC(=O)N(C)C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723119 584895831 /nfs/dbraw/zinc/89/58/31/584895831.db2.gz UDSLCIJSRPTJHB-ZFWWWQNUSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@@H+](CC(=O)N1CCOCC1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903724902 584895934 /nfs/dbraw/zinc/89/59/34/584895934.db2.gz SCRVSLMZHAWGJR-UKRRQHHQSA-N 2 1 297.399 -0.454 20 0 CBADMP C[N@H+](CC(=O)N1CCOCC1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903724902 584895936 /nfs/dbraw/zinc/89/59/36/584895936.db2.gz SCRVSLMZHAWGJR-UKRRQHHQSA-N 2 1 297.399 -0.454 20 0 CBADMP NC(=O)[C@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903726034 584895950 /nfs/dbraw/zinc/89/59/50/584895950.db2.gz JFHYEXGBOWPBDO-NWDGAFQWSA-N 2 1 283.372 -0.669 20 0 CBADMP NC(=O)[C@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903726034 584895952 /nfs/dbraw/zinc/89/59/52/584895952.db2.gz JFHYEXGBOWPBDO-NWDGAFQWSA-N 2 1 283.372 -0.669 20 0 CBADMP C[N@@H+](CC(=O)N1CCOCC1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903724900 584895993 /nfs/dbraw/zinc/89/59/93/584895993.db2.gz SCRVSLMZHAWGJR-DZGCQCFKSA-N 2 1 297.399 -0.454 20 0 CBADMP C[N@H+](CC(=O)N1CCOCC1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903724900 584895995 /nfs/dbraw/zinc/89/59/95/584895995.db2.gz SCRVSLMZHAWGJR-DZGCQCFKSA-N 2 1 297.399 -0.454 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903746307 584897043 /nfs/dbraw/zinc/89/70/43/584897043.db2.gz CCYPVESSBODTDG-AVGNSLFASA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000903750807 584897400 /nfs/dbraw/zinc/89/74/00/584897400.db2.gz UINGSERWLWPGKC-AVGNSLFASA-N 2 1 296.415 -0.123 20 0 CBADMP CN(C)C(=O)[C@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCN1 ZINC000903756336 584897729 /nfs/dbraw/zinc/89/77/29/584897729.db2.gz QHPFVAVTOMHBNL-CHWSQXEVSA-N 2 1 268.405 -0.262 20 0 CBADMP CN(C)C(=O)[C@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCN1 ZINC000903756336 584897730 /nfs/dbraw/zinc/89/77/30/584897730.db2.gz QHPFVAVTOMHBNL-CHWSQXEVSA-N 2 1 268.405 -0.262 20 0 CBADMP O[C@@H]1C[C@H]2CN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC[N@H+]2C1 ZINC000903769145 584897982 /nfs/dbraw/zinc/89/79/82/584897982.db2.gz YRCDLDJUKWCDCM-LJISPDSOSA-N 2 1 281.400 -0.494 20 0 CBADMP O[C@@H]1C[C@H]2CN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC[N@H+]2C1 ZINC000903769144 584898024 /nfs/dbraw/zinc/89/80/24/584898024.db2.gz YRCDLDJUKWCDCM-GBJTYRQASA-N 2 1 281.400 -0.494 20 0 CBADMP CC(=O)NCC[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903764708 584898059 /nfs/dbraw/zinc/89/80/59/584898059.db2.gz VGVZYFUMRZTRPG-QWHCGFSZSA-N 2 1 255.362 -0.177 20 0 CBADMP CC(=O)N[C@@H]1CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903768651 584898125 /nfs/dbraw/zinc/89/81/25/584898125.db2.gz OHZDIXBXQWIGEC-MGPQQGTHSA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000903770043 584898320 /nfs/dbraw/zinc/89/83/20/584898320.db2.gz BNEGRQIUZZEHMC-KZVDOYCCSA-N 2 1 267.373 -0.049 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903770831 584898352 /nfs/dbraw/zinc/89/83/52/584898352.db2.gz ZDFLBTPQJDSCNK-KGLIPLIRSA-N 3 1 271.405 -0.077 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC[C@H]21 ZINC000903776093 584899215 /nfs/dbraw/zinc/89/92/15/584899215.db2.gz JDDUBWURVFHSTM-RWMBFGLXSA-N 2 1 294.399 -0.511 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@H]2C1=O ZINC000903777904 584899343 /nfs/dbraw/zinc/89/93/43/584899343.db2.gz HFTDTFCWTGUBDJ-FJJYHAOUSA-N 2 1 293.367 -0.698 20 0 CBADMP COC[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903782642 584899442 /nfs/dbraw/zinc/89/94/42/584899442.db2.gz POEQLMNNMLPUDL-RYUDHWBXSA-N 2 1 285.388 -0.423 20 0 CBADMP COC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903782642 584899443 /nfs/dbraw/zinc/89/94/43/584899443.db2.gz POEQLMNNMLPUDL-RYUDHWBXSA-N 2 1 285.388 -0.423 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903791946 584899920 /nfs/dbraw/zinc/89/99/20/584899920.db2.gz DNYGPMVOEWKWIH-GFCCVEGCSA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH2+]CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)C(C)C ZINC000903816789 584900822 /nfs/dbraw/zinc/90/08/22/584900822.db2.gz WRXPWAFFWBNWQU-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815701 584900875 /nfs/dbraw/zinc/90/08/75/584900875.db2.gz QAFAEKQZISXRFA-UHFFFAOYSA-N 2 1 298.387 -0.323 20 0 CBADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1CS(N)(=O)=O ZINC000903827511 584901170 /nfs/dbraw/zinc/90/11/70/584901170.db2.gz UYMZIKGWMSMRLF-WOPDTQHZSA-N 2 1 275.418 -0.158 20 0 CBADMP O=C1CC[N@@H+](CCN2CC[NH2+]CC2)CCCCCN1 ZINC000903829572 584901313 /nfs/dbraw/zinc/90/13/13/584901313.db2.gz HVUARTFEXPYXNP-UHFFFAOYSA-N 2 1 268.405 -0.116 20 0 CBADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)C[C@H]1CS(N)(=O)=O ZINC000903827853 584901324 /nfs/dbraw/zinc/90/13/24/584901324.db2.gz YVGHDYCMYOMTRR-MNOVXSKESA-N 2 1 275.418 -0.015 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCCCNC(=O)CC1 ZINC000903830181 584901444 /nfs/dbraw/zinc/90/14/44/584901444.db2.gz VOUICYZESFRGKA-CYBMUJFWSA-N 2 1 257.378 -0.051 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCN1CCCS1(=O)=O)C2 ZINC000903840182 584901718 /nfs/dbraw/zinc/90/17/18/584901718.db2.gz OYLZXJONXKSOCO-SRVKXCTJSA-N 2 1 273.402 -0.167 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903864473 584902532 /nfs/dbraw/zinc/90/25/32/584902532.db2.gz VKRJHPDTPSARGK-IHRRRGAJSA-N 2 1 271.405 -0.261 20 0 CBADMP COC[C@@H]1C[NH2+]CCN1CCC[NH+]1CCOCC1 ZINC000903881879 584903677 /nfs/dbraw/zinc/90/36/77/584903677.db2.gz VCIFXFMJKNPAQU-ZDUSSCGKSA-N 2 1 257.378 -0.371 20 0 CBADMP COC[C@H]1C[NH2+]CCN1CCC[NH+]1CCOCC1 ZINC000903881876 584903685 /nfs/dbraw/zinc/90/36/85/584903685.db2.gz VCIFXFMJKNPAQU-CYBMUJFWSA-N 2 1 257.378 -0.371 20 0 CBADMP NC(=O)[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903889970 584904081 /nfs/dbraw/zinc/90/40/81/584904081.db2.gz WTKZMBYLYRLGPZ-YATPEIPISA-N 2 1 253.346 -0.297 20 0 CBADMP NS(=O)(=O)[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903908921 584904334 /nfs/dbraw/zinc/90/43/34/584904334.db2.gz PYSPBJHPYYXBIP-YATPEIPISA-N 2 1 273.402 -0.120 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC000903953617 584905088 /nfs/dbraw/zinc/90/50/88/584905088.db2.gz HCUVWMLSUCSYMO-RQJABVFESA-N 2 1 281.400 -0.114 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958593561 614397513 /nfs/dbraw/zinc/39/75/13/614397513.db2.gz AIDWFHDRESFDPV-CHWSQXEVSA-N 2 1 281.400 -0.101 20 0 CBADMP CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CC1 ZINC000962141535 614435304 /nfs/dbraw/zinc/43/53/04/614435304.db2.gz NBBMEIDTRRYCBG-NHAGDIPZSA-N 2 1 281.400 -0.243 20 0 CBADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCCO)C1 ZINC000957385323 614625765 /nfs/dbraw/zinc/62/57/65/614625765.db2.gz HYKMKIGNOVLTBQ-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCCO)C1 ZINC000957385323 614625767 /nfs/dbraw/zinc/62/57/67/614625767.db2.gz HYKMKIGNOVLTBQ-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](C[C@H](C)O)C1 ZINC000957385967 614676629 /nfs/dbraw/zinc/67/66/29/614676629.db2.gz RSCGPHAKTOLNNT-RYUDHWBXSA-N 2 1 269.389 -0.148 20 0 CBADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](C[C@H](C)O)C1 ZINC000957385967 614676635 /nfs/dbraw/zinc/67/66/35/614676635.db2.gz RSCGPHAKTOLNNT-RYUDHWBXSA-N 2 1 269.389 -0.148 20 0 CBADMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000962756975 615115343 /nfs/dbraw/zinc/11/53/43/615115343.db2.gz AAQOCWNJAQQBLI-KZVDOYCCSA-N 2 1 294.399 -0.608 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000962756975 615115345 /nfs/dbraw/zinc/11/53/45/615115345.db2.gz AAQOCWNJAQQBLI-KZVDOYCCSA-N 2 1 294.399 -0.608 20 0 CBADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000962756975 615115346 /nfs/dbraw/zinc/11/53/46/615115346.db2.gz AAQOCWNJAQQBLI-KZVDOYCCSA-N 2 1 294.399 -0.608 20 0 CBADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000962756975 615115348 /nfs/dbraw/zinc/11/53/48/615115348.db2.gz AAQOCWNJAQQBLI-KZVDOYCCSA-N 2 1 294.399 -0.608 20 0 CBADMP CCN1CCO[C@@H](C(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)C1 ZINC000977614507 615171701 /nfs/dbraw/zinc/17/17/01/615171701.db2.gz LKURXRMLKNJWDY-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[NH+](CCO)CC2(C)C)C1 ZINC000977614507 615171702 /nfs/dbraw/zinc/17/17/02/615171702.db2.gz LKURXRMLKNJWDY-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[N@H+](CCO)CC2(C)C)C1 ZINC000977614507 615171704 /nfs/dbraw/zinc/17/17/04/615171704.db2.gz LKURXRMLKNJWDY-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)C1 ZINC000977614507 615171705 /nfs/dbraw/zinc/17/17/05/615171705.db2.gz LKURXRMLKNJWDY-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C2C[NH+](CCOC)C2)C1 ZINC000970905888 615184890 /nfs/dbraw/zinc/18/48/90/615184890.db2.gz XKKXVPMQHLWJFG-OCCSQVGLSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C2C[NH+](CCOC)C2)C1 ZINC000970905888 615184891 /nfs/dbraw/zinc/18/48/91/615184891.db2.gz XKKXVPMQHLWJFG-OCCSQVGLSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958593919 615372874 /nfs/dbraw/zinc/37/28/74/615372874.db2.gz CZLWPCQSINYIOL-VXGBXAGGSA-N 2 1 267.373 -0.489 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1)[NH+](C)C ZINC000969985406 615374583 /nfs/dbraw/zinc/37/45/83/615374583.db2.gz GSRNSVQKXTZIKD-YPMHNXCESA-N 2 1 294.403 -0.154 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1)[NH+](C)C ZINC000969991594 615374946 /nfs/dbraw/zinc/37/49/46/615374946.db2.gz KGTLVBPSLFQGSZ-NEPJUHHUSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375261 615405515 /nfs/dbraw/zinc/40/55/15/615405515.db2.gz SIUFCUZUHQAGSQ-STQMWFEESA-N 2 1 269.389 -0.243 20 0 CBADMP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977947866 615432966 /nfs/dbraw/zinc/43/29/66/615432966.db2.gz ACBYCONKCBMFEV-FVCCEPFGSA-N 2 1 267.373 -0.369 20 0 CBADMP CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977947866 615432968 /nfs/dbraw/zinc/43/29/68/615432968.db2.gz ACBYCONKCBMFEV-FVCCEPFGSA-N 2 1 267.373 -0.369 20 0 CBADMP CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977947866 615432970 /nfs/dbraw/zinc/43/29/70/615432970.db2.gz ACBYCONKCBMFEV-FVCCEPFGSA-N 2 1 267.373 -0.369 20 0 CBADMP CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977947866 615432972 /nfs/dbraw/zinc/43/29/72/615432972.db2.gz ACBYCONKCBMFEV-FVCCEPFGSA-N 2 1 267.373 -0.369 20 0 CBADMP 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 615585571 /nfs/dbraw/zinc/58/55/71/615585571.db2.gz BLVGXJJNSUTCAW-ODXJTPSBSA-N 2 1 281.400 -0.245 20 0 CBADMP CC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC000969629783 615822567 /nfs/dbraw/zinc/82/25/67/615822567.db2.gz HRUNTHPBDYYDTD-AGIUHOORSA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1)C1CC1 ZINC000971677375 615987886 /nfs/dbraw/zinc/98/78/86/615987886.db2.gz JQNDZBQUTKJZOV-OLZOCXBDSA-N 2 1 269.389 -0.148 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC000968924811 616045211 /nfs/dbraw/zinc/04/52/11/616045211.db2.gz YERRLNHFZBWINJ-YPMHNXCESA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980406582 616109997 /nfs/dbraw/zinc/10/99/97/616109997.db2.gz QNPDOWCGIGZEBX-GFCCVEGCSA-N 2 1 255.362 -0.393 20 0 CBADMP C[N@@H+]([C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)[C@H]1CCNC1=O ZINC000980406597 616116455 /nfs/dbraw/zinc/11/64/55/616116455.db2.gz QSYJELHBEACQHG-STQMWFEESA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH+]1CCC(C(=O)N2CC[NH+](CCCO)CC2)CC1 ZINC000950011642 616166386 /nfs/dbraw/zinc/16/63/86/616166386.db2.gz RMXHAJDBAJMQJR-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)CC1 ZINC000958373478 616167216 /nfs/dbraw/zinc/16/72/16/616167216.db2.gz FVRRIWAIORPRAT-UONOGXRCSA-N 2 1 299.415 -0.881 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CCO)CC1 ZINC000981459146 616182839 /nfs/dbraw/zinc/18/28/39/616182839.db2.gz OHVAIDYRXFMKBL-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](CCO)CC1 ZINC000981459146 616182840 /nfs/dbraw/zinc/18/28/40/616182840.db2.gz OHVAIDYRXFMKBL-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](CCO)CC1 ZINC000981459146 616182841 /nfs/dbraw/zinc/18/28/41/616182841.db2.gz OHVAIDYRXFMKBL-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000969100243 616183160 /nfs/dbraw/zinc/18/31/60/616183160.db2.gz ZDMSREYFUUCWSS-MNOVXSKESA-N 2 1 268.361 -0.854 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969097399 616183431 /nfs/dbraw/zinc/18/34/31/616183431.db2.gz BSXFJCRUOXRNCZ-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000978352191 616183695 /nfs/dbraw/zinc/18/36/95/616183695.db2.gz SQXRCAQDWQHGHJ-RVMXOQNASA-N 2 1 294.399 -0.750 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000978352191 616183696 /nfs/dbraw/zinc/18/36/96/616183696.db2.gz SQXRCAQDWQHGHJ-RVMXOQNASA-N 2 1 294.399 -0.750 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000978352191 616183697 /nfs/dbraw/zinc/18/36/97/616183697.db2.gz SQXRCAQDWQHGHJ-RVMXOQNASA-N 2 1 294.399 -0.750 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000967924874 616192053 /nfs/dbraw/zinc/19/20/53/616192053.db2.gz JZGDZGMEZXULLK-CHWSQXEVSA-N 2 1 292.387 -0.437 20 0 CBADMP Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000967924381 616192209 /nfs/dbraw/zinc/19/22/09/616192209.db2.gz GYHYYLRLOSUQHL-DGCLKSJQSA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000967924381 616192210 /nfs/dbraw/zinc/19/22/10/616192210.db2.gz GYHYYLRLOSUQHL-DGCLKSJQSA-N 2 1 292.387 -0.400 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCO)CC1 ZINC000980839787 616209231 /nfs/dbraw/zinc/20/92/31/616209231.db2.gz NCLZRYCCWXBCJA-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCCO)CC1 ZINC000980839787 616209232 /nfs/dbraw/zinc/20/92/32/616209232.db2.gz NCLZRYCCWXBCJA-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCO)CC1 ZINC000980839787 616209233 /nfs/dbraw/zinc/20/92/33/616209233.db2.gz NCLZRYCCWXBCJA-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000967923698 616209988 /nfs/dbraw/zinc/20/99/88/616209988.db2.gz BFKSMUKNHWTEAL-NEPJUHHUSA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000967923698 616209989 /nfs/dbraw/zinc/20/99/89/616209989.db2.gz BFKSMUKNHWTEAL-NEPJUHHUSA-N 2 1 292.387 -0.400 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@]3(C2)CN(CCO)CCO3)C1 ZINC000972672888 616265321 /nfs/dbraw/zinc/26/53/21/616265321.db2.gz BPYTVVRRNFQRFE-UKRRQHHQSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@]3(C2)C[NH+](CCO)CCO3)C1 ZINC000972672888 616265322 /nfs/dbraw/zinc/26/53/22/616265322.db2.gz BPYTVVRRNFQRFE-UKRRQHHQSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@]3(C2)C[NH+](CCO)CCO3)C1 ZINC000972672888 616265323 /nfs/dbraw/zinc/26/53/23/616265323.db2.gz BPYTVVRRNFQRFE-UKRRQHHQSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)C1 ZINC000972672888 616265324 /nfs/dbraw/zinc/26/53/24/616265324.db2.gz BPYTVVRRNFQRFE-UKRRQHHQSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)C1 ZINC000972672888 616265325 /nfs/dbraw/zinc/26/53/25/616265325.db2.gz BPYTVVRRNFQRFE-UKRRQHHQSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)CC2(C)C)C1 ZINC000977604310 616267143 /nfs/dbraw/zinc/26/71/43/616267143.db2.gz VSWIQHXXAMCDGO-VXGBXAGGSA-N 2 1 269.389 -0.243 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)CC2(C)C)C1 ZINC000977604310 616267144 /nfs/dbraw/zinc/26/71/44/616267144.db2.gz VSWIQHXXAMCDGO-VXGBXAGGSA-N 2 1 269.389 -0.243 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)C1 ZINC000977604310 616267145 /nfs/dbraw/zinc/26/71/45/616267145.db2.gz VSWIQHXXAMCDGO-VXGBXAGGSA-N 2 1 269.389 -0.243 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000962298701 616269682 /nfs/dbraw/zinc/26/96/82/616269682.db2.gz CBMCHBNQXQTLFN-RMRHIDDWSA-N 2 1 281.400 -0.243 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC000962298701 616269683 /nfs/dbraw/zinc/26/96/83/616269683.db2.gz CBMCHBNQXQTLFN-RMRHIDDWSA-N 2 1 281.400 -0.243 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC000962298701 616269684 /nfs/dbraw/zinc/26/96/84/616269684.db2.gz CBMCHBNQXQTLFN-RMRHIDDWSA-N 2 1 281.400 -0.243 20 0 CBADMP Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000970711107 616362791 /nfs/dbraw/zinc/36/27/91/616362791.db2.gz ASGKMPHVJRQAGW-NWDGAFQWSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000970711107 616362795 /nfs/dbraw/zinc/36/27/95/616362795.db2.gz ASGKMPHVJRQAGW-NWDGAFQWSA-N 2 1 292.387 -0.543 20 0 CBADMP COCC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958374809 616443335 /nfs/dbraw/zinc/44/33/35/616443335.db2.gz OOZNJJCYWFFXOP-ZIAGYGMSSA-N 2 1 299.415 -0.617 20 0 CBADMP COCC[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958590954 616444187 /nfs/dbraw/zinc/44/41/87/616444187.db2.gz DCXVTVAKLHQFGL-CHWSQXEVSA-N 2 1 297.399 -0.863 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC000958474397 616468966 /nfs/dbraw/zinc/46/89/66/616468966.db2.gz KXQRDXQTTCXLIV-XQHKEYJVSA-N 2 1 283.372 -0.990 20 0 CBADMP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958474397 616468969 /nfs/dbraw/zinc/46/89/69/616468969.db2.gz KXQRDXQTTCXLIV-XQHKEYJVSA-N 2 1 283.372 -0.990 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958474397 616468971 /nfs/dbraw/zinc/46/89/71/616468971.db2.gz KXQRDXQTTCXLIV-XQHKEYJVSA-N 2 1 283.372 -0.990 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000958474397 616468973 /nfs/dbraw/zinc/46/89/73/616468973.db2.gz KXQRDXQTTCXLIV-XQHKEYJVSA-N 2 1 283.372 -0.990 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000958474397 616468975 /nfs/dbraw/zinc/46/89/75/616468975.db2.gz KXQRDXQTTCXLIV-XQHKEYJVSA-N 2 1 283.372 -0.990 20 0 CBADMP CNC(=O)CN1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000969969931 616598836 /nfs/dbraw/zinc/59/88/36/616598836.db2.gz QMAJDRGARXDNCL-WCQYABFASA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)CN1CC([C@H](C)NC(=O)[C@H]2CCCCN2C)C1 ZINC000969969931 616598839 /nfs/dbraw/zinc/59/88/39/616598839.db2.gz QMAJDRGARXDNCL-WCQYABFASA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977918516 616640382 /nfs/dbraw/zinc/64/03/82/616640382.db2.gz HTPYWHAVEITPEP-RVMXOQNASA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000977918516 616640384 /nfs/dbraw/zinc/64/03/84/616640384.db2.gz HTPYWHAVEITPEP-RVMXOQNASA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000977918516 616640387 /nfs/dbraw/zinc/64/03/87/616640387.db2.gz HTPYWHAVEITPEP-RVMXOQNASA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC000960583881 616644277 /nfs/dbraw/zinc/64/42/77/616644277.db2.gz YMKZCGXJQRZZKE-CZXHOFHRSA-N 2 1 294.399 -0.737 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC000960583881 616644280 /nfs/dbraw/zinc/64/42/80/616644280.db2.gz YMKZCGXJQRZZKE-CZXHOFHRSA-N 2 1 294.399 -0.737 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000960583881 616644289 /nfs/dbraw/zinc/64/42/89/616644289.db2.gz YMKZCGXJQRZZKE-CZXHOFHRSA-N 2 1 294.399 -0.737 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC000960583881 616644293 /nfs/dbraw/zinc/64/42/93/616644293.db2.gz YMKZCGXJQRZZKE-CZXHOFHRSA-N 2 1 294.399 -0.737 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)CN1CCOC[C@H](C)C1 ZINC000311120967 656144800 /nfs/dbraw/zinc/14/48/00/656144800.db2.gz OQIBBYBSFDFQJC-CHWSQXEVSA-N 2 1 260.378 -0.106 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCOC[C@H](C)C1 ZINC000311120967 656144802 /nfs/dbraw/zinc/14/48/02/656144802.db2.gz OQIBBYBSFDFQJC-CHWSQXEVSA-N 2 1 260.378 -0.106 20 0 CBADMP C[C@H]1CN(C(=S)NCC[NH+](C)C)CC[N@H+]1CCO ZINC000777498142 656240100 /nfs/dbraw/zinc/24/01/00/656240100.db2.gz IIKVYWQMKZVCRU-NSHDSACASA-N 2 1 274.434 -0.579 20 0 CBADMP C[C@H]1CN(C(=S)NCC[NH+](C)C)CC[N@@H+]1CCO ZINC000777498142 656240095 /nfs/dbraw/zinc/24/00/95/656240095.db2.gz IIKVYWQMKZVCRU-NSHDSACASA-N 2 1 274.434 -0.579 20 0 CBADMP C[C@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)[NH+](C)C ZINC000906073671 656378109 /nfs/dbraw/zinc/37/81/09/656378109.db2.gz RIYYHTCWPAMRCE-LLVKDONJSA-N 2 1 256.394 -0.454 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000923484676 658305296 /nfs/dbraw/zinc/30/52/96/658305296.db2.gz AIRODVJQTCOYKO-OCCSQVGLSA-N 2 1 296.415 -0.264 20 0 CBADMP NS(=O)(=O)C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000923531081 658314626 /nfs/dbraw/zinc/31/46/26/658314626.db2.gz NNSRHKCUPCQKDX-LBPRGKRZSA-N 2 1 275.418 -0.014 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000923531415 658315162 /nfs/dbraw/zinc/31/51/62/658315162.db2.gz POBHAUOHCCQFIK-VWYCJHECSA-N 2 1 261.391 -0.548 20 0 CBADMP O=S(=O)(N(C1CC1)C1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000923562919 658329178 /nfs/dbraw/zinc/32/91/78/658329178.db2.gz OAXWYLWQHGYBST-UHFFFAOYSA-N 2 1 288.417 -0.647 20 0 CBADMP C[C@@H]1C[C@@H](NS(=O)(=O)C2C[NH2+]C2)C[N@H+]1C1CC1 ZINC000923623363 658359008 /nfs/dbraw/zinc/35/90/08/658359008.db2.gz AORXMUUAMFKFFO-RKDXNWHRSA-N 2 1 259.375 -0.497 20 0 CBADMP CC1(C)CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000923654765 658377608 /nfs/dbraw/zinc/37/76/08/658377608.db2.gz CUHUIONOBRRVIW-SNVBAGLBSA-N 2 1 261.391 -0.248 20 0 CBADMP COCCC[N@@H+](C)CCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924693634 658631559 /nfs/dbraw/zinc/63/15/59/658631559.db2.gz FGTGERAVIIUNQW-LLVKDONJSA-N 2 1 286.376 -0.563 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCO ZINC000925014187 658782044 /nfs/dbraw/zinc/78/20/44/658782044.db2.gz FCBLPKZHXNQLCW-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCO ZINC000925014187 658782127 /nfs/dbraw/zinc/78/21/27/658782127.db2.gz FCBLPKZHXNQLCW-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCO ZINC000925014187 658782201 /nfs/dbraw/zinc/78/22/01/658782201.db2.gz FCBLPKZHXNQLCW-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[N@H+]1CC[C@@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925320973 658824639 /nfs/dbraw/zinc/82/46/39/658824639.db2.gz IGDGVEIGBIUPAM-ZJUUUORDSA-N 2 1 254.334 -0.437 20 0 CBADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000925668676 658864410 /nfs/dbraw/zinc/86/44/10/658864410.db2.gz JSINOSUWEYOSSX-ZYHUDNBSSA-N 2 1 253.350 -0.109 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](C)[C@H]2C)C1 ZINC000928446154 659023198 /nfs/dbraw/zinc/02/31/98/659023198.db2.gz GWOAICHOLRSLSP-SRVKXCTJSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](C)[C@H]2C)C1 ZINC000928446154 659023201 /nfs/dbraw/zinc/02/32/01/659023201.db2.gz GWOAICHOLRSLSP-SRVKXCTJSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)C1 ZINC000928446154 659023202 /nfs/dbraw/zinc/02/32/02/659023202.db2.gz GWOAICHOLRSLSP-SRVKXCTJSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)C1 ZINC000928446154 659023205 /nfs/dbraw/zinc/02/32/05/659023205.db2.gz GWOAICHOLRSLSP-SRVKXCTJSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000928446166 659023261 /nfs/dbraw/zinc/02/32/61/659023261.db2.gz GWOAICHOLRSLSP-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000928446166 659023270 /nfs/dbraw/zinc/02/32/70/659023270.db2.gz GWOAICHOLRSLSP-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000928446166 659023275 /nfs/dbraw/zinc/02/32/75/659023275.db2.gz GWOAICHOLRSLSP-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000928446166 659023278 /nfs/dbraw/zinc/02/32/78/659023278.db2.gz GWOAICHOLRSLSP-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000928446158 659024430 /nfs/dbraw/zinc/02/44/30/659024430.db2.gz GWOAICHOLRSLSP-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000928446158 659024433 /nfs/dbraw/zinc/02/44/33/659024433.db2.gz GWOAICHOLRSLSP-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000928446158 659024434 /nfs/dbraw/zinc/02/44/34/659024434.db2.gz GWOAICHOLRSLSP-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000928446158 659024436 /nfs/dbraw/zinc/02/44/36/659024436.db2.gz GWOAICHOLRSLSP-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000928454524 659024994 /nfs/dbraw/zinc/02/49/94/659024994.db2.gz ZRAOZDPCILRUTL-JHJVBQTASA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000928454524 659025004 /nfs/dbraw/zinc/02/50/04/659025004.db2.gz ZRAOZDPCILRUTL-JHJVBQTASA-N 2 1 268.405 -0.169 20 0 CBADMP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000929194463 659099117 /nfs/dbraw/zinc/09/91/17/659099117.db2.gz AVEAGOGBAZHJLW-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000929194463 659099122 /nfs/dbraw/zinc/09/91/22/659099122.db2.gz AVEAGOGBAZHJLW-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@@](C)(O)C1)[NH+]1CC[C@@](C)(O)C1 ZINC000929790263 659172189 /nfs/dbraw/zinc/17/21/89/659172189.db2.gz WJCYNGQBGMRUFO-BPLDGKMQSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@](C)(O)C1)[NH+]1CC[C@@](C)(O)C1 ZINC000929790263 659172194 /nfs/dbraw/zinc/17/21/94/659172194.db2.gz WJCYNGQBGMRUFO-BPLDGKMQSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@@](C)(O)C1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000929790263 659172196 /nfs/dbraw/zinc/17/21/96/659172196.db2.gz WJCYNGQBGMRUFO-BPLDGKMQSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@@](C)(O)C1)[N@H+]1CC[C@@](C)(O)C1 ZINC000929790263 659172200 /nfs/dbraw/zinc/17/22/00/659172200.db2.gz WJCYNGQBGMRUFO-BPLDGKMQSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000930490744 659298844 /nfs/dbraw/zinc/29/88/44/659298844.db2.gz HKTRTCASWVIMKP-RAIGVLPGSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000930490744 659298849 /nfs/dbraw/zinc/29/88/49/659298849.db2.gz HKTRTCASWVIMKP-RAIGVLPGSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000930490744 659298860 /nfs/dbraw/zinc/29/88/60/659298860.db2.gz HKTRTCASWVIMKP-RAIGVLPGSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000930490744 659298869 /nfs/dbraw/zinc/29/88/69/659298869.db2.gz HKTRTCASWVIMKP-RAIGVLPGSA-N 2 1 294.399 -0.594 20 0 CBADMP OC[C@@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930804649 659341566 /nfs/dbraw/zinc/34/15/66/659341566.db2.gz LWCVKSDBPGBDTG-ZDUSSCGKSA-N 2 1 251.330 -0.053 20 0 CBADMP CCS(=O)(=O)NCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486147 659472885 /nfs/dbraw/zinc/47/28/85/659472885.db2.gz WYAZMBQXKXFIMR-UHFFFAOYSA-N 2 1 293.433 -0.686 20 0 CBADMP COCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000054856857 656027608 /nfs/dbraw/zinc/02/76/08/656027608.db2.gz XOLCBVKPQHMLJO-UHFFFAOYSA-N 2 1 265.361 -0.036 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=[NH2+])NC1CC1 ZINC000066246633 656036168 /nfs/dbraw/zinc/03/61/68/656036168.db2.gz XYOCRRJPRTZXQX-LBPRGKRZSA-N 2 1 281.404 -0.004 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000068890081 656038290 /nfs/dbraw/zinc/03/82/90/656038290.db2.gz AIJARCWTQUZDEO-BDAKNGLRSA-N 2 1 283.294 -0.304 20 0 CBADMP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070171072 656039910 /nfs/dbraw/zinc/03/99/10/656039910.db2.gz QVSKHJVRYFKSDT-SNVBAGLBSA-N 2 1 256.350 -0.107 20 0 CBADMP O=C(C[NH2+]C1CC1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000091668839 656058864 /nfs/dbraw/zinc/05/88/64/656058864.db2.gz YNUIWWWBAQKRCL-RYUDHWBXSA-N 2 1 253.346 -0.282 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CC[NH2+]CC1 ZINC000091668586 656059234 /nfs/dbraw/zinc/05/92/34/656059234.db2.gz OCCUYDGQRPMBBO-QWHCGFSZSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000092957563 656060501 /nfs/dbraw/zinc/06/05/01/656060501.db2.gz LMIDITYHLLQYSN-LOWDOPEQSA-N 2 1 267.373 -0.036 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000132834393 656069119 /nfs/dbraw/zinc/06/91/19/656069119.db2.gz IGBISWHXHAEUQQ-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000228190630 656109509 /nfs/dbraw/zinc/10/95/09/656109509.db2.gz XIEOLCCIOBMCKA-MJBXVCDLSA-N 2 1 299.415 -0.426 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000232289066 656113686 /nfs/dbraw/zinc/11/36/86/656113686.db2.gz MREPOWGNZQWMKU-GFCCVEGCSA-N 2 1 282.388 -0.734 20 0 CBADMP C[N@H+]1CCC[C@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000250592154 656122107 /nfs/dbraw/zinc/12/21/07/656122107.db2.gz HRGRKXWFLSXUIL-NEPJUHHUSA-N 2 1 275.418 0.000 20 0 CBADMP O=C(NC[C@@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1)[C@H]1CCC[NH2+]1 ZINC000250990285 656122358 /nfs/dbraw/zinc/12/23/58/656122358.db2.gz CIPVYKKXZCJWFL-XQQFMLRXSA-N 2 1 295.383 -0.118 20 0 CBADMP O=C(NC[C@@H]1CCC[N@H+]([C@H]2CCOC2=O)C1)[C@H]1CCC[NH2+]1 ZINC000250990285 656122360 /nfs/dbraw/zinc/12/23/60/656122360.db2.gz CIPVYKKXZCJWFL-XQQFMLRXSA-N 2 1 295.383 -0.118 20 0 CBADMP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)Cn1cccn1 ZINC000252545063 656123240 /nfs/dbraw/zinc/12/32/40/656123240.db2.gz IWUFIERNMAUTEY-MJBXVCDLSA-N 2 1 280.372 -0.303 20 0 CBADMP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)Cn1cccn1 ZINC000252545063 656123241 /nfs/dbraw/zinc/12/32/41/656123241.db2.gz IWUFIERNMAUTEY-MJBXVCDLSA-N 2 1 280.372 -0.303 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000261562205 656124585 /nfs/dbraw/zinc/12/45/85/656124585.db2.gz GJHNJWXLPSTDOV-NSHDSACASA-N 2 1 252.318 -0.314 20 0 CBADMP COC[C@@]1(C(=O)N2CC[NH+](C3CC3)CC2)CC[NH2+]C1 ZINC000261579319 656124659 /nfs/dbraw/zinc/12/46/59/656124659.db2.gz DRZDCTXYGSAZIO-CQSZACIVSA-N 2 1 267.373 -0.081 20 0 CBADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N1CCOCC1 ZINC000261667596 656125256 /nfs/dbraw/zinc/12/52/56/656125256.db2.gz ZPOSBZRYIQIZNA-UHFFFAOYSA-N 2 1 267.373 -0.079 20 0 CBADMP CO[C@H]1COCC[C@H]1[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000310863052 656144221 /nfs/dbraw/zinc/14/42/21/656144221.db2.gz OHVFWYFQPKRIFF-OLZOCXBDSA-N 2 1 257.378 -0.373 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)[C@H](C)C1 ZINC000310849829 656144485 /nfs/dbraw/zinc/14/44/85/656144485.db2.gz IWDVXSKREPNADZ-OLZOCXBDSA-N 2 1 259.394 -0.439 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](C)[C@H](C)C1 ZINC000310849829 656144489 /nfs/dbraw/zinc/14/44/89/656144489.db2.gz IWDVXSKREPNADZ-OLZOCXBDSA-N 2 1 259.394 -0.439 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)[C@H](C)C1 ZINC000310849829 656144493 /nfs/dbraw/zinc/14/44/93/656144493.db2.gz IWDVXSKREPNADZ-OLZOCXBDSA-N 2 1 259.394 -0.439 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000310979816 656145128 /nfs/dbraw/zinc/14/51/28/656145128.db2.gz DUSKJOFPTBCMCW-LBPRGKRZSA-N 2 1 261.410 -0.158 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000310979816 656145130 /nfs/dbraw/zinc/14/51/30/656145130.db2.gz DUSKJOFPTBCMCW-LBPRGKRZSA-N 2 1 261.410 -0.158 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000310979816 656145133 /nfs/dbraw/zinc/14/51/33/656145133.db2.gz DUSKJOFPTBCMCW-LBPRGKRZSA-N 2 1 261.410 -0.158 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000311169810 656145817 /nfs/dbraw/zinc/14/58/17/656145817.db2.gz RZFYWDUEFOTBCM-AGIUHOORSA-N 2 1 259.394 -0.405 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000311972173 656146505 /nfs/dbraw/zinc/14/65/05/656146505.db2.gz BIXJAZQRVLOYMD-RDBSUJKOSA-N 2 1 271.405 -0.391 20 0 CBADMP C[N@@H+](C[C@H](O)CNC[C@@H]1C[NH+]2CCC[C@H]2CO1)C1CC1 ZINC000312321603 656146695 /nfs/dbraw/zinc/14/66/95/656146695.db2.gz GKBHVJZZSIUBBK-RRFJBIMHSA-N 2 1 283.416 -0.106 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000312321603 656146699 /nfs/dbraw/zinc/14/66/99/656146699.db2.gz GKBHVJZZSIUBBK-RRFJBIMHSA-N 2 1 283.416 -0.106 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000312321603 656146703 /nfs/dbraw/zinc/14/67/03/656146703.db2.gz GKBHVJZZSIUBBK-RRFJBIMHSA-N 2 1 283.416 -0.106 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000313080208 656147445 /nfs/dbraw/zinc/14/74/45/656147445.db2.gz LGGDWXKNUBOUCX-BYNSBNAKSA-N 2 1 285.432 -0.015 20 0 CBADMP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000313080208 656147447 /nfs/dbraw/zinc/14/74/47/656147447.db2.gz LGGDWXKNUBOUCX-BYNSBNAKSA-N 2 1 285.432 -0.015 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000313080208 656147450 /nfs/dbraw/zinc/14/74/50/656147450.db2.gz LGGDWXKNUBOUCX-BYNSBNAKSA-N 2 1 285.432 -0.015 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc(C[NH2+]C(C)C)nn1 ZINC000312799971 656147654 /nfs/dbraw/zinc/14/76/54/656147654.db2.gz RETWAMIHDFEJKA-CYBMUJFWSA-N 2 1 285.392 -0.285 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)C1CC1 ZINC000419101414 656167046 /nfs/dbraw/zinc/16/70/46/656167046.db2.gz KBJLTJQLGNVGQQ-HNNXBMFYSA-N 2 1 294.399 -0.449 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000702422977 656180542 /nfs/dbraw/zinc/18/05/42/656180542.db2.gz VNCVNSAQSGDESV-OLZOCXBDSA-N 2 1 284.404 -0.802 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702422109 656180628 /nfs/dbraw/zinc/18/06/28/656180628.db2.gz RGAOMHFYXXRHKQ-NEPJUHHUSA-N 2 1 256.394 -0.278 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000702415515 656180877 /nfs/dbraw/zinc/18/08/77/656180877.db2.gz BMSPCKFIGOBGAS-FRRDWIJNSA-N 2 1 268.405 -0.182 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000705695496 656187097 /nfs/dbraw/zinc/18/70/97/656187097.db2.gz MITABIMEIXNZMY-CYBMUJFWSA-N 2 1 257.378 -0.053 20 0 CBADMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709803912 656196435 /nfs/dbraw/zinc/19/64/35/656196435.db2.gz NEVVYSALOGZFIZ-RWMBFGLXSA-N 2 1 260.378 -0.636 20 0 CBADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709803912 656196436 /nfs/dbraw/zinc/19/64/36/656196436.db2.gz NEVVYSALOGZFIZ-RWMBFGLXSA-N 2 1 260.378 -0.636 20 0 CBADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000710657753 656199174 /nfs/dbraw/zinc/19/91/74/656199174.db2.gz KKPPLHDSAUWSFC-UHFFFAOYSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC(O)(C[NH+](C)C)CC1 ZINC000710663317 656199519 /nfs/dbraw/zinc/19/95/19/656199519.db2.gz DGKQFGKGWHJVAO-CYBMUJFWSA-N 2 1 273.421 -0.313 20 0 CBADMP COC[C@]1(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C[NH2+]CCO1 ZINC000710784684 656201242 /nfs/dbraw/zinc/20/12/42/656201242.db2.gz RLSWLGHNMBVYQZ-RISCZKNCSA-N 2 1 285.388 -0.410 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000710782144 656201345 /nfs/dbraw/zinc/20/13/45/656201345.db2.gz GTJIPLRVTROCDB-OCCSQVGLSA-N 2 1 285.388 -0.551 20 0 CBADMP C[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[NH2+]CCO1 ZINC000710784239 656201397 /nfs/dbraw/zinc/20/13/97/656201397.db2.gz QGEKEUBNVKGTBM-YRGRVCCFSA-N 2 1 283.372 -0.656 20 0 CBADMP COC[C@@]1(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C[NH2+]CCO1 ZINC000710784682 656201789 /nfs/dbraw/zinc/20/17/89/656201789.db2.gz RLSWLGHNMBVYQZ-BXUZGUMPSA-N 2 1 285.388 -0.410 20 0 CBADMP COC[C@@]1(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C[NH2+]CCO1 ZINC000710784685 656201806 /nfs/dbraw/zinc/20/18/06/656201806.db2.gz RLSWLGHNMBVYQZ-SMDDNHRTSA-N 2 1 285.388 -0.410 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@]1(COC)C[NH2+]CCO1)C1CC1 ZINC000710783031 656202041 /nfs/dbraw/zinc/20/20/41/656202041.db2.gz KKYXYSPSUACAAO-AWEZNQCLSA-N 2 1 285.388 -0.408 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(C)(C)S(C)(=O)=O ZINC000713992428 656214546 /nfs/dbraw/zinc/21/45/46/656214546.db2.gz NVVUJMHTSRNJJJ-UHFFFAOYSA-N 2 1 277.434 -0.353 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(C)(C)S(C)(=O)=O ZINC000713992428 656214549 /nfs/dbraw/zinc/21/45/49/656214549.db2.gz NVVUJMHTSRNJJJ-UHFFFAOYSA-N 2 1 277.434 -0.353 20 0 CBADMP C[NH+]1CCC(O)(C[NH2+]C2CC(S(C)(=O)=O)C2)CC1 ZINC000716070102 656221897 /nfs/dbraw/zinc/22/18/97/656221897.db2.gz UDHXTUASOUVQLH-UHFFFAOYSA-N 2 1 276.402 -0.392 20 0 CBADMP O=C(CC[NH2+]CC1CC1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000717196482 656227186 /nfs/dbraw/zinc/22/71/86/656227186.db2.gz NEJYJUJCDVPTSM-AWEZNQCLSA-N 2 1 280.416 -0.118 20 0 CBADMP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C[NH2+]1 ZINC000884817120 656255550 /nfs/dbraw/zinc/25/55/50/656255550.db2.gz JSJNBYNNFSPWFL-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C[NH2+]1 ZINC000884817120 656255553 /nfs/dbraw/zinc/25/55/53/656255553.db2.gz JSJNBYNNFSPWFL-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000890066654 656269669 /nfs/dbraw/zinc/26/96/69/656269669.db2.gz XDAGCVLMTMDWQK-DGCLKSJQSA-N 2 1 270.377 -0.554 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000890066654 656269671 /nfs/dbraw/zinc/26/96/71/656269671.db2.gz XDAGCVLMTMDWQK-DGCLKSJQSA-N 2 1 270.377 -0.554 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000890066654 656269675 /nfs/dbraw/zinc/26/96/75/656269675.db2.gz XDAGCVLMTMDWQK-DGCLKSJQSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1C[NH+](C)CCN1C ZINC000896560802 656289634 /nfs/dbraw/zinc/28/96/34/656289634.db2.gz TVRLEDPSCZTCHG-XQQFMLRXSA-N 2 1 268.405 -0.311 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC000896560802 656289637 /nfs/dbraw/zinc/28/96/37/656289637.db2.gz TVRLEDPSCZTCHG-XQQFMLRXSA-N 2 1 268.405 -0.311 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896560802 656289641 /nfs/dbraw/zinc/28/96/41/656289641.db2.gz TVRLEDPSCZTCHG-XQQFMLRXSA-N 2 1 268.405 -0.311 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000896621695 656291011 /nfs/dbraw/zinc/29/10/11/656291011.db2.gz XBAJOTIDLSINMH-MGPQQGTHSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000896621695 656291017 /nfs/dbraw/zinc/29/10/17/656291017.db2.gz XBAJOTIDLSINMH-MGPQQGTHSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000896621695 656291022 /nfs/dbraw/zinc/29/10/22/656291022.db2.gz XBAJOTIDLSINMH-MGPQQGTHSA-N 2 1 296.415 -0.069 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000896618771 656291176 /nfs/dbraw/zinc/29/11/76/656291176.db2.gz FPIQEMHCCGJACT-LLVKDONJSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CC(N3CC[C@@H](O)C3)C2)C1 ZINC000897463752 656293330 /nfs/dbraw/zinc/29/33/30/656293330.db2.gz IFCDNBQBUUUAIW-GXTWGEPZSA-N 2 1 296.415 -0.211 20 0 CBADMP C[C@H]1CC[N@H+](CCNC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000897463752 656293334 /nfs/dbraw/zinc/29/33/34/656293334.db2.gz IFCDNBQBUUUAIW-GXTWGEPZSA-N 2 1 296.415 -0.211 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000897463752 656293337 /nfs/dbraw/zinc/29/33/37/656293337.db2.gz IFCDNBQBUUUAIW-GXTWGEPZSA-N 2 1 296.415 -0.211 20 0 CBADMP C[C@H]1CC[NH+](CCNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000897463752 656293341 /nfs/dbraw/zinc/29/33/41/656293341.db2.gz IFCDNBQBUUUAIW-GXTWGEPZSA-N 2 1 296.415 -0.211 20 0 CBADMP C[C@H]1CC[NH+](CCNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000897463752 656293345 /nfs/dbraw/zinc/29/33/45/656293345.db2.gz IFCDNBQBUUUAIW-GXTWGEPZSA-N 2 1 296.415 -0.211 20 0 CBADMP C[C@@H]1CC[N@H+](CCNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900913729 656314123 /nfs/dbraw/zinc/31/41/23/656314123.db2.gz ZBSIAFNSMZPZIM-MBNYWOFBSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900913729 656314126 /nfs/dbraw/zinc/31/41/26/656314126.db2.gz ZBSIAFNSMZPZIM-MBNYWOFBSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900913729 656314128 /nfs/dbraw/zinc/31/41/28/656314128.db2.gz ZBSIAFNSMZPZIM-MBNYWOFBSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900913729 656314132 /nfs/dbraw/zinc/31/41/32/656314132.db2.gz ZBSIAFNSMZPZIM-MBNYWOFBSA-N 2 1 269.389 -0.101 20 0 CBADMP Cn1nnc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC000903507395 656321882 /nfs/dbraw/zinc/32/18/82/656321882.db2.gz YCFAVXFXJSQXHJ-BETUJISGSA-N 2 1 291.403 -0.389 20 0 CBADMP Cn1nnnc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507028 656322105 /nfs/dbraw/zinc/32/21/05/656322105.db2.gz KCZBVBNCZMCATA-BETUJISGSA-N 2 1 291.403 -0.389 20 0 CBADMP NS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904320458 656323991 /nfs/dbraw/zinc/32/39/91/656323991.db2.gz HWVDOYYKWMSYLU-MXWKQRLJSA-N 2 1 261.391 -0.276 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322960 656324437 /nfs/dbraw/zinc/32/44/37/656324437.db2.gz LCKCQSVGBNHBEH-XQQFMLRXSA-N 2 1 257.378 -0.651 20 0 CBADMP c1cc(N2CC[NH2+]CC2)oc1C[NH2+]C[C@@H]1CNCCO1 ZINC000904371775 656325769 /nfs/dbraw/zinc/32/57/69/656325769.db2.gz SUZJSPDLYNJGCM-ZDUSSCGKSA-N 2 1 280.372 -0.233 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1S(C)(=O)=O ZINC000904380019 656325810 /nfs/dbraw/zinc/32/58/10/656325810.db2.gz ZQKDIIKSHPYSRD-MXWKQRLJSA-N 2 1 261.391 -0.311 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](C[C@@]3(C)CCC[NH2+]C3)C[C@H]2C1=O ZINC000904384547 656325951 /nfs/dbraw/zinc/32/59/51/656325951.db2.gz MHTLKIKCFPVUFW-WDMOLILDSA-N 2 1 265.357 -0.077 20 0 CBADMP C[C@]1(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC[NH2+]C1 ZINC000904428609 656326574 /nfs/dbraw/zinc/32/65/74/656326574.db2.gz NANRDNKZZCZAAI-MNOVXSKESA-N 2 1 261.391 -0.404 20 0 CBADMP C[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@H]1C[NH3+] ZINC000904410968 656326622 /nfs/dbraw/zinc/32/66/22/656326622.db2.gz ICHZMQGPEFZYDV-MNOVXSKESA-N 2 1 280.372 -0.499 20 0 CBADMP CC[NH+]1CCC(NC(=O)CON=C(N)C[NH+](C)C)CC1 ZINC000904438204 656327672 /nfs/dbraw/zinc/32/76/72/656327672.db2.gz SSEPMONQEMRUDH-UHFFFAOYSA-N 2 1 285.392 -0.353 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000904959596 656330436 /nfs/dbraw/zinc/33/04/36/656330436.db2.gz RQRXNJSOUPHZKA-NWJSVONSSA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000904955417 656330464 /nfs/dbraw/zinc/33/04/64/656330464.db2.gz CCCUZPJZACCGBN-SLEUVZQESA-N 2 1 294.399 -0.783 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000904960878 656330730 /nfs/dbraw/zinc/33/07/30/656330730.db2.gz MCBRAJOZAXKPEC-SMDDNHRTSA-N 2 1 282.388 -0.796 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000904960912 656330920 /nfs/dbraw/zinc/33/09/20/656330920.db2.gz MKWDPKFLFPCBSU-SWLSCSKDSA-N 2 1 296.415 -0.536 20 0 CBADMP O[C@H](CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1(O)CCC1 ZINC000905077319 656337218 /nfs/dbraw/zinc/33/72/18/656337218.db2.gz XCYGHMHPYRQTFW-FRRDWIJNSA-N 2 1 270.373 -0.285 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905352478 656352473 /nfs/dbraw/zinc/35/24/73/656352473.db2.gz DHXLSGKMHBWSSJ-NWDGAFQWSA-N 2 1 260.378 -0.398 20 0 CBADMP CCO[C@H](C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)C[NH+](C)C ZINC000905581842 656362433 /nfs/dbraw/zinc/36/24/33/656362433.db2.gz XWICEJICVBZBKL-MJBXVCDLSA-N 2 1 290.404 -0.555 20 0 CBADMP Cn1nnnc1CCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000905684603 656365685 /nfs/dbraw/zinc/36/56/85/656365685.db2.gz ZGCRIWLYICIWCL-NSHDSACASA-N 2 1 268.365 -0.813 20 0 CBADMP Cn1nnnc1CCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000905684603 656365688 /nfs/dbraw/zinc/36/56/88/656365688.db2.gz ZGCRIWLYICIWCL-NSHDSACASA-N 2 1 268.365 -0.813 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NCC2CC[NH+](C)CC2)C1 ZINC000906494822 656389396 /nfs/dbraw/zinc/38/93/96/656389396.db2.gz LHECTLPICBTWRD-UHFFFAOYSA-N 2 1 282.432 -0.062 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NCCCC[NH+](C)C)C1 ZINC000906675164 656396791 /nfs/dbraw/zinc/39/67/91/656396791.db2.gz RYAWMBWCFNTTEQ-UHFFFAOYSA-N 2 1 270.421 -0.062 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996517093 656417691 /nfs/dbraw/zinc/41/76/91/656417691.db2.gz DEFOMPVJKWXMER-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996614400 656446789 /nfs/dbraw/zinc/44/67/89/656446789.db2.gz NCBVPEOCHISPKC-WDEREUQCSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CCO)CC2)CC[N@H+]1C ZINC000996602494 656447031 /nfs/dbraw/zinc/44/70/31/656447031.db2.gz JESGNHXTQFTILB-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997012835 656463828 /nfs/dbraw/zinc/46/38/28/656463828.db2.gz YJSLSBPKFGUCLA-ZYHUDNBSSA-N 2 1 282.388 -0.750 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997301022 656472543 /nfs/dbraw/zinc/47/25/43/656472543.db2.gz ZSKYULNRRMQZMR-SNVBAGLBSA-N 2 1 268.361 -0.996 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000997342118 656474109 /nfs/dbraw/zinc/47/41/09/656474109.db2.gz LFOGDVSRHINFCN-ZDUSSCGKSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000997342118 656474114 /nfs/dbraw/zinc/47/41/14/656474114.db2.gz LFOGDVSRHINFCN-ZDUSSCGKSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000998724017 656572844 /nfs/dbraw/zinc/57/28/44/656572844.db2.gz UAOCSDXPIWJZLT-QWRGUYRKSA-N 2 1 268.361 -0.854 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000998734590 656576305 /nfs/dbraw/zinc/57/63/05/656576305.db2.gz XPIIYTGMGFJYDE-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000998764730 656581596 /nfs/dbraw/zinc/58/15/96/656581596.db2.gz UJXBLHVEPWYKKX-BPCQOVAHSA-N 2 1 296.415 -0.077 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC000907805152 656582169 /nfs/dbraw/zinc/58/21/69/656582169.db2.gz OSMGEDUEWXFXNU-BETUJISGSA-N 2 1 280.416 -0.500 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC000907805152 656582172 /nfs/dbraw/zinc/58/21/72/656582172.db2.gz OSMGEDUEWXFXNU-BETUJISGSA-N 2 1 280.416 -0.500 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C1 ZINC000907805152 656582173 /nfs/dbraw/zinc/58/21/73/656582173.db2.gz OSMGEDUEWXFXNU-BETUJISGSA-N 2 1 280.416 -0.500 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCF)C2)C1 ZINC000998826607 656587723 /nfs/dbraw/zinc/58/77/23/656587723.db2.gz PJXGYMGXORLZFE-VXGBXAGGSA-N 2 1 273.352 -0.133 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCF)C2)C1 ZINC000998826607 656587733 /nfs/dbraw/zinc/58/77/33/656587733.db2.gz PJXGYMGXORLZFE-VXGBXAGGSA-N 2 1 273.352 -0.133 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999301884 656621662 /nfs/dbraw/zinc/62/16/62/656621662.db2.gz DMYZFHSLBGZDTH-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC000999362659 656625345 /nfs/dbraw/zinc/62/53/45/656625345.db2.gz CMCAJNXFYIGMAK-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999513262 656631707 /nfs/dbraw/zinc/63/17/07/656631707.db2.gz RSJROXANOJKGGD-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000908200270 656666325 /nfs/dbraw/zinc/66/63/25/656666325.db2.gz IDPLPMYGCNGFJO-MNOVXSKESA-N 2 1 257.378 -0.102 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999711450 656646018 /nfs/dbraw/zinc/64/60/18/656646018.db2.gz FGEIZTABTGYFBZ-NSHDSACASA-N 2 1 279.344 -0.743 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC000999715916 656648603 /nfs/dbraw/zinc/64/86/03/656648603.db2.gz YEDKGBQRQKEGHP-RYUDHWBXSA-N 2 1 293.371 -0.354 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCc2cncn2C1 ZINC000908134091 656653048 /nfs/dbraw/zinc/65/30/48/656653048.db2.gz MYSWJPWYRQEDLP-SUHUHFCYSA-N 2 1 278.356 -0.231 20 0 CBADMP CN1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCc2cncn2C1 ZINC000908134091 656653063 /nfs/dbraw/zinc/65/30/63/656653063.db2.gz MYSWJPWYRQEDLP-SUHUHFCYSA-N 2 1 278.356 -0.231 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000999876490 656662860 /nfs/dbraw/zinc/66/28/60/656662860.db2.gz MGPKHPYLUJXERH-BPCQOVAHSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000908194716 656663731 /nfs/dbraw/zinc/66/37/31/656663731.db2.gz FGBXEYJDHQLTIA-NSHDSACASA-N 2 1 256.394 -0.454 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000192521 656699385 /nfs/dbraw/zinc/69/93/85/656699385.db2.gz MQTAMDZHEFJYFT-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000196801 656700470 /nfs/dbraw/zinc/70/04/70/656700470.db2.gz GRUJKRSSJFVVLA-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)C[NH+](C)C ZINC000908345348 656707732 /nfs/dbraw/zinc/70/77/32/656707732.db2.gz DFHLJXXBIDUFTL-GFCCVEGCSA-N 2 1 270.421 -0.206 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000908346337 656708920 /nfs/dbraw/zinc/70/89/20/656708920.db2.gz GBSZXQQCJFJCMP-FMSGJZPZSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)[C@@H]2C1 ZINC000908346337 656708936 /nfs/dbraw/zinc/70/89/36/656708936.db2.gz GBSZXQQCJFJCMP-FMSGJZPZSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)[C@@H]2C1 ZINC000908346337 656708952 /nfs/dbraw/zinc/70/89/52/656708952.db2.gz GBSZXQQCJFJCMP-FMSGJZPZSA-N 2 1 267.373 -0.396 20 0 CBADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000908346425 656710532 /nfs/dbraw/zinc/71/05/32/656710532.db2.gz GYCMTEIAERWNLZ-KCQAQPDRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000908346425 656710537 /nfs/dbraw/zinc/71/05/37/656710537.db2.gz GYCMTEIAERWNLZ-KCQAQPDRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000908346425 656710543 /nfs/dbraw/zinc/71/05/43/656710543.db2.gz GYCMTEIAERWNLZ-KCQAQPDRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908414691 656721931 /nfs/dbraw/zinc/72/19/31/656721931.db2.gz KRGDNLLYCRPTTG-HKUMRIAESA-N 2 1 269.389 -0.008 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001000516930 656733011 /nfs/dbraw/zinc/73/30/11/656733011.db2.gz CJNVTPJHAOEPPE-WCQYABFASA-N 2 1 294.399 -0.297 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001000516930 656733020 /nfs/dbraw/zinc/73/30/20/656733020.db2.gz CJNVTPJHAOEPPE-WCQYABFASA-N 2 1 294.399 -0.297 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001000516930 656733028 /nfs/dbraw/zinc/73/30/28/656733028.db2.gz CJNVTPJHAOEPPE-WCQYABFASA-N 2 1 294.399 -0.297 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001000516930 656733032 /nfs/dbraw/zinc/73/30/32/656733032.db2.gz CJNVTPJHAOEPPE-WCQYABFASA-N 2 1 294.399 -0.297 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2=CC[NH+](CCCO)CC2)C1 ZINC001000548856 656735266 /nfs/dbraw/zinc/73/52/66/656735266.db2.gz YTILQLUYWZASFL-CQSZACIVSA-N 2 1 297.399 -0.552 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC2=CC[NH+](CCCO)CC2)C1 ZINC001000548856 656735273 /nfs/dbraw/zinc/73/52/73/656735273.db2.gz YTILQLUYWZASFL-CQSZACIVSA-N 2 1 297.399 -0.552 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCC2=CC[N@H+](CCCO)CC2)C1 ZINC001000548856 656735283 /nfs/dbraw/zinc/73/52/83/656735283.db2.gz YTILQLUYWZASFL-CQSZACIVSA-N 2 1 297.399 -0.552 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCC2=CC[N@@H+](CCCO)CC2)C1 ZINC001000548856 656735290 /nfs/dbraw/zinc/73/52/90/656735290.db2.gz YTILQLUYWZASFL-CQSZACIVSA-N 2 1 297.399 -0.552 20 0 CBADMP C[C@H](O)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000547565 656736405 /nfs/dbraw/zinc/73/64/05/656736405.db2.gz PIYROGBDYSJNTH-JSGCOSHPSA-N 2 1 297.399 -0.554 20 0 CBADMP C[C@H](O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000547565 656736415 /nfs/dbraw/zinc/73/64/15/656736415.db2.gz PIYROGBDYSJNTH-JSGCOSHPSA-N 2 1 297.399 -0.554 20 0 CBADMP C[C@H](O)C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001000547565 656736439 /nfs/dbraw/zinc/73/64/39/656736439.db2.gz PIYROGBDYSJNTH-JSGCOSHPSA-N 2 1 297.399 -0.554 20 0 CBADMP C[C@H](O)C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001000547565 656736450 /nfs/dbraw/zinc/73/64/50/656736450.db2.gz PIYROGBDYSJNTH-JSGCOSHPSA-N 2 1 297.399 -0.554 20 0 CBADMP CN1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000908539876 656743919 /nfs/dbraw/zinc/74/39/19/656743919.db2.gz DHKKOVIXSCKRNL-GUTXKFCHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000908539876 656743924 /nfs/dbraw/zinc/74/39/24/656743924.db2.gz DHKKOVIXSCKRNL-GUTXKFCHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000908539876 656743935 /nfs/dbraw/zinc/74/39/35/656743935.db2.gz DHKKOVIXSCKRNL-GUTXKFCHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000908539876 656743944 /nfs/dbraw/zinc/74/39/44/656743944.db2.gz DHKKOVIXSCKRNL-GUTXKFCHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H](C)[N@H+]1CCO ZINC000909034912 656776306 /nfs/dbraw/zinc/77/63/06/656776306.db2.gz ZBMFLDRXQOYFHT-BETUJISGSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H](C)[N@@H+]1CCO ZINC000909034912 656776310 /nfs/dbraw/zinc/77/63/10/656776310.db2.gz ZBMFLDRXQOYFHT-BETUJISGSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001001153889 656801008 /nfs/dbraw/zinc/80/10/08/656801008.db2.gz XYBDTBYRCWCENG-DGCLKSJQSA-N 2 1 294.399 -0.582 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001001153889 656801009 /nfs/dbraw/zinc/80/10/09/656801009.db2.gz XYBDTBYRCWCENG-DGCLKSJQSA-N 2 1 294.399 -0.582 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001001153889 656801013 /nfs/dbraw/zinc/80/10/13/656801013.db2.gz XYBDTBYRCWCENG-DGCLKSJQSA-N 2 1 294.399 -0.582 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001001153889 656801016 /nfs/dbraw/zinc/80/10/16/656801016.db2.gz XYBDTBYRCWCENG-DGCLKSJQSA-N 2 1 294.399 -0.582 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001001262121 656805598 /nfs/dbraw/zinc/80/55/98/656805598.db2.gz BMIFDBSHAIUPON-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CCCO)CC2)C1 ZINC001001276466 656806613 /nfs/dbraw/zinc/80/66/13/656806613.db2.gz JOXLSLBWLWGLIT-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CCCO)CC2)C1 ZINC001001276466 656806614 /nfs/dbraw/zinc/80/66/14/656806614.db2.gz JOXLSLBWLWGLIT-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CCCO)CC2)C1 ZINC001001276465 656806853 /nfs/dbraw/zinc/80/68/53/656806853.db2.gz JOXLSLBWLWGLIT-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CCCO)CC2)C1 ZINC001001276465 656806855 /nfs/dbraw/zinc/80/68/55/656806855.db2.gz JOXLSLBWLWGLIT-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002119505 656826604 /nfs/dbraw/zinc/82/66/04/656826604.db2.gz ARWBISMIIFQEON-YPMHNXCESA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002119500 656827219 /nfs/dbraw/zinc/82/72/19/656827219.db2.gz ARWBISMIIFQEON-WCQYABFASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001002462421 656833762 /nfs/dbraw/zinc/83/37/62/656833762.db2.gz UJXWOAUWPDFTOF-JQWIXIFHSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001002462421 656833765 /nfs/dbraw/zinc/83/37/65/656833765.db2.gz UJXWOAUWPDFTOF-JQWIXIFHSA-N 2 1 282.388 -0.465 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCCO)CC2)C1 ZINC001002531076 656836014 /nfs/dbraw/zinc/83/60/14/656836014.db2.gz DFKAKJLFDGFOGX-ZDUSSCGKSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCCO)CC2)C1 ZINC001002531076 656836016 /nfs/dbraw/zinc/83/60/16/656836016.db2.gz DFKAKJLFDGFOGX-ZDUSSCGKSA-N 2 1 285.388 -0.720 20 0 CBADMP CO[C@H](C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002524295 656836252 /nfs/dbraw/zinc/83/62/52/656836252.db2.gz SDFDVAREGVGMET-OCCSQVGLSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@H](C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002524295 656836253 /nfs/dbraw/zinc/83/62/53/656836253.db2.gz SDFDVAREGVGMET-OCCSQVGLSA-N 2 1 299.415 -0.068 20 0 CBADMP O=C(NC1CC[NH+](CCO)CC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001002875596 656842683 /nfs/dbraw/zinc/84/26/83/656842683.db2.gz NTZYPJUSTHYFLD-KBPBESRZSA-N 2 1 297.399 -0.578 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003543862 656862144 /nfs/dbraw/zinc/86/21/44/656862144.db2.gz HIPDKCXKCHTHOY-UHFFFAOYSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001003637236 656865672 /nfs/dbraw/zinc/86/56/72/656865672.db2.gz ZKIBDVZHLOELIO-PWSUYJOCSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001003637236 656865677 /nfs/dbraw/zinc/86/56/77/656865677.db2.gz ZKIBDVZHLOELIO-PWSUYJOCSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001003627821 656865860 /nfs/dbraw/zinc/86/58/60/656865860.db2.gz ITYVVWPYLCTRAM-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001003627821 656865864 /nfs/dbraw/zinc/86/58/64/656865864.db2.gz ITYVVWPYLCTRAM-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001003625632 656866083 /nfs/dbraw/zinc/86/60/83/656866083.db2.gz HXJHZIVQKYDZSK-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001003625632 656866084 /nfs/dbraw/zinc/86/60/84/656866084.db2.gz HXJHZIVQKYDZSK-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003968806 656878785 /nfs/dbraw/zinc/87/87/85/656878785.db2.gz VCNKOLXWUYUKRK-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003968806 656878786 /nfs/dbraw/zinc/87/87/86/656878786.db2.gz VCNKOLXWUYUKRK-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004150325 656881393 /nfs/dbraw/zinc/88/13/93/656881393.db2.gz RAXFJIZNDWSXAK-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC001004184050 656882746 /nfs/dbraw/zinc/88/27/46/656882746.db2.gz BXEPALMATYEOGV-GXTWGEPZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC001004184050 656882747 /nfs/dbraw/zinc/88/27/47/656882747.db2.gz BXEPALMATYEOGV-GXTWGEPZSA-N 2 1 299.415 -0.332 20 0 CBADMP CCN1CC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000910731186 656887640 /nfs/dbraw/zinc/88/76/40/656887640.db2.gz UTQHVIOMWRSOHI-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000910731186 656887642 /nfs/dbraw/zinc/88/76/42/656887642.db2.gz UTQHVIOMWRSOHI-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000910731186 656887645 /nfs/dbraw/zinc/88/76/45/656887645.db2.gz UTQHVIOMWRSOHI-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000910731186 656887650 /nfs/dbraw/zinc/88/76/50/656887650.db2.gz UTQHVIOMWRSOHI-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005181739 656894588 /nfs/dbraw/zinc/89/45/88/656894588.db2.gz XMOWKSSCRNCKTF-YPMHNXCESA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001005181739 656894590 /nfs/dbraw/zinc/89/45/90/656894590.db2.gz XMOWKSSCRNCKTF-YPMHNXCESA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001005209073 656896113 /nfs/dbraw/zinc/89/61/13/656896113.db2.gz KCYDSIAWVJMTOO-TZMCWYRMSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001005209073 656896115 /nfs/dbraw/zinc/89/61/15/656896115.db2.gz KCYDSIAWVJMTOO-TZMCWYRMSA-N 2 1 299.415 -0.379 20 0 CBADMP 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 656927898 /nfs/dbraw/zinc/92/78/98/656927898.db2.gz CVAJFGNRAJLWPB-WISYIIOYSA-N 2 1 282.388 -0.609 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000911015925 656931460 /nfs/dbraw/zinc/93/14/60/656931460.db2.gz SXAIAIKGMGTBRQ-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911030107 656935547 /nfs/dbraw/zinc/93/55/47/656935547.db2.gz QJKPJTBZGVUCNZ-RYUDHWBXSA-N 2 1 296.415 -0.170 20 0 CBADMP 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 656939136 /nfs/dbraw/zinc/93/91/36/656939136.db2.gz JOWCRMSFDBCMEV-RSLMWUCJSA-N 2 1 292.383 -0.652 20 0 CBADMP 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 656939423 /nfs/dbraw/zinc/93/94/23/656939423.db2.gz JOWCRMSFDBCMEV-XKAARJIMSA-N 2 1 292.383 -0.652 20 0 CBADMP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000911073492 656940510 /nfs/dbraw/zinc/94/05/10/656940510.db2.gz SSZQFRYQJDZCSF-ZYHUDNBSSA-N 2 1 294.399 -0.547 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000911073801 656941156 /nfs/dbraw/zinc/94/11/56/656941156.db2.gz WHSKJDKYBDAZQI-QWRGUYRKSA-N 2 1 280.372 -0.711 20 0 CBADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000911074088 656941292 /nfs/dbraw/zinc/94/12/92/656941292.db2.gz YYRWWPJJGJXJIJ-NEPJUHHUSA-N 2 1 294.399 -0.463 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911138026 656961200 /nfs/dbraw/zinc/96/12/00/656961200.db2.gz LMBHGZQUQMBNGH-NSHDSACASA-N 2 1 293.371 -0.578 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911144703 656962928 /nfs/dbraw/zinc/96/29/28/656962928.db2.gz CXYDVNBEOXTAGB-GMXVVIOVSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)C[N@H+]1C1CC1 ZINC000911148031 656963429 /nfs/dbraw/zinc/96/34/29/656963429.db2.gz UMOLXSOHIPOOIP-VHSXEESVSA-N 2 1 280.372 -0.665 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000911148334 656964719 /nfs/dbraw/zinc/96/47/19/656964719.db2.gz XCNQRUSZVAXGCK-FIQHERPVSA-N 2 1 294.399 -0.419 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911187199 656975967 /nfs/dbraw/zinc/97/59/67/656975967.db2.gz NFNBVGSLWKTWIC-GRYCIOLGSA-N 2 1 284.404 -0.443 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911187299 656976428 /nfs/dbraw/zinc/97/64/28/656976428.db2.gz OBTRHMYIUIEMAD-AGIUHOORSA-N 2 1 298.431 -0.195 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCO)C1 ZINC001006926871 656979459 /nfs/dbraw/zinc/97/94/59/656979459.db2.gz OAGIEVOGQVOWBK-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001006926871 656979469 /nfs/dbraw/zinc/97/94/69/656979469.db2.gz OAGIEVOGQVOWBK-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001006926871 656979476 /nfs/dbraw/zinc/97/94/76/656979476.db2.gz OAGIEVOGQVOWBK-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)[N@@H+](C)C1CC1 ZINC000911207458 656984489 /nfs/dbraw/zinc/98/44/89/656984489.db2.gz UTWVGMFKAQBAPQ-CKYFFXLPSA-N 2 1 282.388 -0.691 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000911267816 657002721 /nfs/dbraw/zinc/00/27/21/657002721.db2.gz ABCKFZXLVQOFQA-FDYHWXHSSA-N 2 1 294.399 -0.417 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000911268659 657002957 /nfs/dbraw/zinc/00/29/57/657002957.db2.gz ZAHSAPRNZBJROC-XUJVJEKNSA-N 2 1 294.399 -0.735 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000911268716 657003013 /nfs/dbraw/zinc/00/30/13/657003013.db2.gz FGFZNSHDQWCMAN-FDYHWXHSSA-N 2 1 294.399 -0.547 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000911270057 657003896 /nfs/dbraw/zinc/00/38/96/657003896.db2.gz RHXGJTLHZQTEBS-AVGNSLFASA-N 2 1 294.399 -0.321 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911270253 657005331 /nfs/dbraw/zinc/00/53/31/657005331.db2.gz KCVXAYMHOFMCGF-SMDDNHRTSA-N 2 1 282.388 -0.878 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CCO)C2)CC[NH+]1C ZINC001007370564 657007486 /nfs/dbraw/zinc/00/74/86/657007486.db2.gz BFGMFNRDUPEVJP-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CCO)C2)CC[NH+]1C ZINC001007370564 657007491 /nfs/dbraw/zinc/00/74/91/657007491.db2.gz BFGMFNRDUPEVJP-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NCCNc1ccc(C)c[nH+]1 ZINC000911281652 657009006 /nfs/dbraw/zinc/00/90/06/657009006.db2.gz HWZRDJAKYFOSIK-UHFFFAOYSA-N 2 1 293.371 -0.356 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000911282664 657010131 /nfs/dbraw/zinc/01/01/31/657010131.db2.gz VVCSRJCLWVKUAR-VXGBXAGGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000911282664 657010134 /nfs/dbraw/zinc/01/01/34/657010134.db2.gz VVCSRJCLWVKUAR-VXGBXAGGSA-N 2 1 284.404 -0.362 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911283043 657010153 /nfs/dbraw/zinc/01/01/53/657010153.db2.gz VCBPBFKNAWEIBF-UHFFFAOYSA-N 2 1 270.377 -0.830 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCC(C)(C)[NH3+])C[C@]2(C)C1 ZINC000911295633 657013429 /nfs/dbraw/zinc/01/34/29/657013429.db2.gz HXXKBSAGICVQJA-YGRLFVJLSA-N 2 1 282.388 -0.750 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000911296267 657013457 /nfs/dbraw/zinc/01/34/57/657013457.db2.gz KYTRTXUTRYZQTC-RYUDHWBXSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000911296267 657013460 /nfs/dbraw/zinc/01/34/60/657013460.db2.gz KYTRTXUTRYZQTC-RYUDHWBXSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911296705 657014026 /nfs/dbraw/zinc/01/40/26/657014026.db2.gz ZUOSUPCKPXDNNP-NSHDSACASA-N 2 1 284.404 -0.455 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911298423 657014556 /nfs/dbraw/zinc/01/45/56/657014556.db2.gz TXIMLQJGUZWVAM-COPLHBTASA-N 2 1 282.388 -0.750 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000911324527 657020280 /nfs/dbraw/zinc/02/02/80/657020280.db2.gz DZOXABUYEKXTIG-RYUDHWBXSA-N 2 1 294.399 -0.273 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911336755 657023136 /nfs/dbraw/zinc/02/31/36/657023136.db2.gz MTJMPXGYUHQMKD-IJLUTSLNSA-N 2 1 282.388 -0.689 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911337339 657023172 /nfs/dbraw/zinc/02/31/72/657023172.db2.gz RCBILZITSGNKSP-FVCCEPFGSA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911367498 657027970 /nfs/dbraw/zinc/02/79/70/657027970.db2.gz PXLQGZLGSBSWHP-VXGBXAGGSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000911365169 657028017 /nfs/dbraw/zinc/02/80/17/657028017.db2.gz CANPTHFIWRRIOM-IJLUTSLNSA-N 2 1 296.415 -0.301 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911373267 657029810 /nfs/dbraw/zinc/02/98/10/657029810.db2.gz AZXQWWWNRKTTMO-UPJWGTAASA-N 2 1 296.415 -0.491 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911373267 657029813 /nfs/dbraw/zinc/02/98/13/657029813.db2.gz AZXQWWWNRKTTMO-UPJWGTAASA-N 2 1 296.415 -0.491 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000911502375 657057494 /nfs/dbraw/zinc/05/74/94/657057494.db2.gz GDTCDPKMCJOIBK-VXGBXAGGSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504533 657058705 /nfs/dbraw/zinc/05/87/05/657058705.db2.gz KSMOKGFXHMVBML-JTQLQIEISA-N 2 1 268.361 -0.806 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911506283 657059625 /nfs/dbraw/zinc/05/96/25/657059625.db2.gz YNKQKKYDHNCACY-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506399 657060616 /nfs/dbraw/zinc/06/06/16/657060616.db2.gz MXZNEMAQGXEGNN-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911528546 657067272 /nfs/dbraw/zinc/06/72/72/657067272.db2.gz PTDKFHIPXHUWCR-LBPRGKRZSA-N 2 1 296.415 -0.347 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911527636 657067553 /nfs/dbraw/zinc/06/75/53/657067553.db2.gz JAPMLHOFCCXDSC-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911529675 657068704 /nfs/dbraw/zinc/06/87/04/657068704.db2.gz FNRVJHDQGBVXQH-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911544864 657074444 /nfs/dbraw/zinc/07/44/44/657074444.db2.gz GHWPKNLLXGOYHB-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911559216 657077581 /nfs/dbraw/zinc/07/75/81/657077581.db2.gz CMMGCRNREZULOL-AVGNSLFASA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911559216 657077591 /nfs/dbraw/zinc/07/75/91/657077591.db2.gz CMMGCRNREZULOL-AVGNSLFASA-N 2 1 296.415 -0.362 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000911561372 657078968 /nfs/dbraw/zinc/07/89/68/657078968.db2.gz YGMDZOMZZOLRIU-JOCQHMNTSA-N 2 1 294.399 -0.606 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001009523837 657079049 /nfs/dbraw/zinc/07/90/49/657079049.db2.gz NJAVIJHACBSDKT-LBPRGKRZSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001009523837 657079055 /nfs/dbraw/zinc/07/90/55/657079055.db2.gz NJAVIJHACBSDKT-LBPRGKRZSA-N 2 1 266.345 -0.236 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000911562390 657079384 /nfs/dbraw/zinc/07/93/84/657079384.db2.gz ARBWSBJLAHJRJT-HAQNSBGRSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[C@H]1C ZINC000911564414 657080698 /nfs/dbraw/zinc/08/06/98/657080698.db2.gz YNCIVOYYFDIRCF-FDYHWXHSSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[C@H]1C ZINC000911564414 657080704 /nfs/dbraw/zinc/08/07/04/657080704.db2.gz YNCIVOYYFDIRCF-FDYHWXHSSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](Cc1cnc[nH]1)C(=O)NCCN1CC[NH2+]CC1 ZINC000911696162 657104723 /nfs/dbraw/zinc/10/47/23/657104723.db2.gz RPTFCVFMDUVTCB-LLVKDONJSA-N 2 1 265.361 -0.390 20 0 CBADMP C[C@H]([NH3+])c1nc(C(=O)NCCN2CC[NH2+]CC2)cs1 ZINC000911693788 657105742 /nfs/dbraw/zinc/10/57/42/657105742.db2.gz NNOPMFVZBMRRBP-VIFPVBQESA-N 2 1 283.401 -0.202 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])CC2 ZINC000911875207 657152650 /nfs/dbraw/zinc/15/26/50/657152650.db2.gz LQWKAGHYDKTTAD-GXTWGEPZSA-N 2 1 291.399 -0.145 20 0 CBADMP C[NH+]1CCC(N(CCO)C(=O)CC[NH+]2CCOCC2)CC1 ZINC000911937366 657171834 /nfs/dbraw/zinc/17/18/34/657171834.db2.gz VCKJAMUWNPTQNP-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP C[C@H](CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[NH+](C)C ZINC000912387242 657246845 /nfs/dbraw/zinc/24/68/45/657246845.db2.gz AUJAONHPLOXKEO-WZRBSPASSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)CCO)C1 ZINC000912606800 657296657 /nfs/dbraw/zinc/29/66/57/657296657.db2.gz XKTMXOFUTFZZKM-GFCCVEGCSA-N 2 1 273.377 -0.910 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)CCO)C1 ZINC000912606800 657296668 /nfs/dbraw/zinc/29/66/68/657296668.db2.gz XKTMXOFUTFZZKM-GFCCVEGCSA-N 2 1 273.377 -0.910 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)CC[N@H+](C)CCO)C1 ZINC000912606800 657296673 /nfs/dbraw/zinc/29/66/73/657296673.db2.gz XKTMXOFUTFZZKM-GFCCVEGCSA-N 2 1 273.377 -0.910 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)CC[N@@H+](C)CCO)C1 ZINC000912606800 657296678 /nfs/dbraw/zinc/29/66/78/657296678.db2.gz XKTMXOFUTFZZKM-GFCCVEGCSA-N 2 1 273.377 -0.910 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912904234 657357256 /nfs/dbraw/zinc/35/72/56/657357256.db2.gz SJWNFLBULVDAOI-YRGRVCCFSA-N 2 1 267.373 -0.252 20 0 CBADMP CC[C@@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)[NH+](CC)CC ZINC000913189213 657414895 /nfs/dbraw/zinc/41/48/95/657414895.db2.gz SDNNSOYAXOPCRK-JSGCOSHPSA-N 2 1 287.404 -0.426 20 0 CBADMP C[NH+](C)CCCCC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913187919 657415988 /nfs/dbraw/zinc/41/59/88/657415988.db2.gz GISSRTGBJLKFEQ-ZDUSSCGKSA-N 2 1 273.377 -0.815 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001015291464 657427900 /nfs/dbraw/zinc/42/79/00/657427900.db2.gz UPSSIXHSSZYDKF-LBPRGKRZSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001015291464 657427907 /nfs/dbraw/zinc/42/79/07/657427907.db2.gz UPSSIXHSSZYDKF-LBPRGKRZSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCO)C1)CC2 ZINC001015619613 657481655 /nfs/dbraw/zinc/48/16/55/657481655.db2.gz BFZHYRMZYWZRBP-QWHCGFSZSA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCO)C1)CC2 ZINC001015619613 657481662 /nfs/dbraw/zinc/48/16/62/657481662.db2.gz BFZHYRMZYWZRBP-QWHCGFSZSA-N 2 1 292.383 -0.063 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001015649631 657505861 /nfs/dbraw/zinc/50/58/61/657505861.db2.gz WPEJKZICEPQCRP-CHWSQXEVSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001015649631 657505873 /nfs/dbraw/zinc/50/58/73/657505873.db2.gz WPEJKZICEPQCRP-CHWSQXEVSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CCC(CC(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC000913546012 657526460 /nfs/dbraw/zinc/52/64/60/657526460.db2.gz FMCPPYCHCDPBER-ZDUSSCGKSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CCC(CC(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC000913546012 657526467 /nfs/dbraw/zinc/52/64/67/657526467.db2.gz FMCPPYCHCDPBER-ZDUSSCGKSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796779 657550906 /nfs/dbraw/zinc/55/09/06/657550906.db2.gz QSPMOPSDCDBNIC-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796779 657550911 /nfs/dbraw/zinc/55/09/11/657550911.db2.gz QSPMOPSDCDBNIC-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C2)cn1 ZINC001015827029 657566663 /nfs/dbraw/zinc/56/66/63/657566663.db2.gz LWDXHXWJWQHRMZ-CYBMUJFWSA-N 2 1 295.387 -0.759 20 0 CBADMP O=C(NC12CC[NH+](CC1)C2)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000913635891 657573124 /nfs/dbraw/zinc/57/31/24/657573124.db2.gz RSVJFFLPDILUPW-VXGBXAGGSA-N 2 1 265.357 -0.186 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004323 657630679 /nfs/dbraw/zinc/63/06/79/657630679.db2.gz WMBFNJOTKYPZLM-VXGBXAGGSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004323 657630686 /nfs/dbraw/zinc/63/06/86/657630686.db2.gz WMBFNJOTKYPZLM-VXGBXAGGSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004322 657631566 /nfs/dbraw/zinc/63/15/66/657631566.db2.gz WMBFNJOTKYPZLM-RYUDHWBXSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004322 657631573 /nfs/dbraw/zinc/63/15/73/657631573.db2.gz WMBFNJOTKYPZLM-RYUDHWBXSA-N 2 1 294.399 -0.463 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCn3cncn3)C2)C1 ZINC001016249967 657669300 /nfs/dbraw/zinc/66/93/00/657669300.db2.gz LLUIPYPWAPPRDZ-OLZOCXBDSA-N 2 1 292.387 -0.580 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C2)C1 ZINC001016249967 657669311 /nfs/dbraw/zinc/66/93/11/657669311.db2.gz LLUIPYPWAPPRDZ-OLZOCXBDSA-N 2 1 292.387 -0.580 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001016249967 657669318 /nfs/dbraw/zinc/66/93/18/657669318.db2.gz LLUIPYPWAPPRDZ-OLZOCXBDSA-N 2 1 292.387 -0.580 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016251125 657672213 /nfs/dbraw/zinc/67/22/13/657672213.db2.gz SNHUTIGUJNIVJF-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016251125 657672221 /nfs/dbraw/zinc/67/22/21/657672221.db2.gz SNHUTIGUJNIVJF-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016251125 657672228 /nfs/dbraw/zinc/67/22/28/657672228.db2.gz SNHUTIGUJNIVJF-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016251125 657672234 /nfs/dbraw/zinc/67/22/34/657672234.db2.gz SNHUTIGUJNIVJF-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001016255255 657673277 /nfs/dbraw/zinc/67/32/77/657673277.db2.gz LTKUHJWDIMVKNN-OLZOCXBDSA-N 2 1 294.399 -0.639 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001016255255 657673286 /nfs/dbraw/zinc/67/32/86/657673286.db2.gz LTKUHJWDIMVKNN-OLZOCXBDSA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC001016255255 657673296 /nfs/dbraw/zinc/67/32/96/657673296.db2.gz LTKUHJWDIMVKNN-OLZOCXBDSA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001016255255 657673307 /nfs/dbraw/zinc/67/33/07/657673307.db2.gz LTKUHJWDIMVKNN-OLZOCXBDSA-N 2 1 294.399 -0.639 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001016260768 657675280 /nfs/dbraw/zinc/67/52/80/657675280.db2.gz SCRPDZPGDHHGSV-PWSUYJOCSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001016260768 657675285 /nfs/dbraw/zinc/67/52/85/657675285.db2.gz SCRPDZPGDHHGSV-PWSUYJOCSA-N 2 1 266.345 -0.237 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001018264777 657799130 /nfs/dbraw/zinc/79/91/30/657799130.db2.gz AMQKVEWFMDKJSY-XDQVBPFNSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001018264777 657799138 /nfs/dbraw/zinc/79/91/38/657799138.db2.gz AMQKVEWFMDKJSY-XDQVBPFNSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001018264777 657799146 /nfs/dbraw/zinc/79/91/46/657799146.db2.gz AMQKVEWFMDKJSY-XDQVBPFNSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001018264775 657799291 /nfs/dbraw/zinc/79/92/91/657799291.db2.gz AMQKVEWFMDKJSY-RQJABVFESA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001018264775 657799298 /nfs/dbraw/zinc/79/92/98/657799298.db2.gz AMQKVEWFMDKJSY-RQJABVFESA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001018264775 657799304 /nfs/dbraw/zinc/79/93/04/657799304.db2.gz AMQKVEWFMDKJSY-RQJABVFESA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@H+]1C ZINC000917961971 657821534 /nfs/dbraw/zinc/82/15/34/657821534.db2.gz YBEHDKLMBWWOOL-AGIUHOORSA-N 2 1 283.420 -0.376 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC[NH+]1C ZINC000917961971 657821539 /nfs/dbraw/zinc/82/15/39/657821539.db2.gz YBEHDKLMBWWOOL-AGIUHOORSA-N 2 1 283.420 -0.376 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC[NH+]1C ZINC000917961971 657821540 /nfs/dbraw/zinc/82/15/40/657821540.db2.gz YBEHDKLMBWWOOL-AGIUHOORSA-N 2 1 283.420 -0.376 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001018629022 657828216 /nfs/dbraw/zinc/82/82/16/657828216.db2.gz XMOJCXGVLXEDRB-STQMWFEESA-N 2 1 294.399 -0.497 20 0 CBADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019169975 657868317 /nfs/dbraw/zinc/86/83/17/657868317.db2.gz SXJUKSJWEBWJKN-SBEAFCBVSA-N 2 1 295.383 -0.968 20 0 CBADMP C[NH+]1CCC(NC(=S)N2CC[NH+](CCO)CC2)CC1 ZINC000920307681 657872026 /nfs/dbraw/zinc/87/20/26/657872026.db2.gz WLMMWIVDMBDPDC-UHFFFAOYSA-N 2 1 286.445 -0.435 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019274846 657878792 /nfs/dbraw/zinc/87/87/92/657878792.db2.gz RNZMBCSBMSWAPP-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]C[C@H](C)O)C1 ZINC001019777862 657939620 /nfs/dbraw/zinc/93/96/20/657939620.db2.gz CDCHBJAYWOMEPR-JQWIXIFHSA-N 2 1 266.345 -0.237 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001019772359 657939813 /nfs/dbraw/zinc/93/98/13/657939813.db2.gz BIRVCKHODSSXJZ-NEPJUHHUSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019772359 657939821 /nfs/dbraw/zinc/93/98/21/657939821.db2.gz BIRVCKHODSSXJZ-NEPJUHHUSA-N 2 1 292.387 -0.543 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001020028790 657988725 /nfs/dbraw/zinc/98/87/25/657988725.db2.gz JSFFAWPJEJOWQB-AVGNSLFASA-N 2 1 292.387 -0.391 20 0 CBADMP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC001020028557 657991357 /nfs/dbraw/zinc/99/13/57/657991357.db2.gz CLDPZTYMWPRUDL-CYDGBPFRSA-N 2 1 294.399 -0.452 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCF)C2)C1 ZINC001020046180 657996420 /nfs/dbraw/zinc/99/64/20/657996420.db2.gz WVHZYYSYHNWKLP-DCAQKATOSA-N 2 1 259.325 -0.477 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCF)C2)C1 ZINC001020046180 657996429 /nfs/dbraw/zinc/99/64/29/657996429.db2.gz WVHZYYSYHNWKLP-DCAQKATOSA-N 2 1 259.325 -0.477 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001020143749 658016954 /nfs/dbraw/zinc/01/69/54/658016954.db2.gz CUIBSZQGWVKMAL-CYDGBPFRSA-N 2 1 296.415 -0.030 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020144072 658018341 /nfs/dbraw/zinc/01/83/41/658018341.db2.gz PNXZGEMKLJLBTK-SRVKXCTJSA-N 2 1 282.388 -0.419 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001020150988 658020172 /nfs/dbraw/zinc/02/01/72/658020172.db2.gz GSIYGAMVCAMHEP-ZDEQEGDKSA-N 2 1 294.399 -0.417 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020301127 658035137 /nfs/dbraw/zinc/03/51/37/658035137.db2.gz PUNKHJOHIUTKOS-DCAQKATOSA-N 2 1 268.361 -0.807 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001020398228 658047761 /nfs/dbraw/zinc/04/77/61/658047761.db2.gz XBLMJQJDIDTUJM-IJLUTSLNSA-N 2 1 266.345 -0.191 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001020508878 658061440 /nfs/dbraw/zinc/06/14/40/658061440.db2.gz FQLXBXARMRKDLK-BJDJZHNGSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)CC[N@H+]1C ZINC001020512357 658061877 /nfs/dbraw/zinc/06/18/77/658061877.db2.gz XRTHAQBJCCTUPP-CYDGBPFRSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001020589139 658075754 /nfs/dbraw/zinc/07/57/54/658075754.db2.gz XTMUOYFIAFKVPT-FDYHWXHSSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001020589138 658077324 /nfs/dbraw/zinc/07/73/24/658077324.db2.gz XTMUOYFIAFKVPT-CYDGBPFRSA-N 2 1 294.399 -0.547 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001020719585 658084137 /nfs/dbraw/zinc/08/41/37/658084137.db2.gz MNXUATOKEDRXLT-ZDEQEGDKSA-N 2 1 294.399 -0.275 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001020927673 658113007 /nfs/dbraw/zinc/11/30/07/658113007.db2.gz OBJMAIPRRJPRPR-CYDGBPFRSA-N 2 1 294.399 -0.547 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020928444 658119627 /nfs/dbraw/zinc/11/96/27/658119627.db2.gz FBXLEOUQAWQYKE-SRVKXCTJSA-N 2 1 255.362 -0.443 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001021044767 658132942 /nfs/dbraw/zinc/13/29/42/658132942.db2.gz SZASUUBNTYJYKE-DDHJBXDOSA-N 2 1 282.388 -0.561 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001021047708 658136313 /nfs/dbraw/zinc/13/63/13/658136313.db2.gz MGFXMIQPCDJXIH-IJLUTSLNSA-N 2 1 292.387 -0.496 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001021047708 658136326 /nfs/dbraw/zinc/13/63/26/658136326.db2.gz MGFXMIQPCDJXIH-IJLUTSLNSA-N 2 1 292.387 -0.496 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1)C(N)=O ZINC001021053217 658139408 /nfs/dbraw/zinc/13/94/08/658139408.db2.gz KJIOWRJVIWRYHO-SRVKXCTJSA-N 2 1 293.371 -0.308 20 0 CBADMP CN1CC(=O)N(CC[N@H+](C)C2CC[NH2+]CC2)C1=O ZINC000923279134 658188595 /nfs/dbraw/zinc/18/85/95/658188595.db2.gz FZBNQAHWBMCQBK-UHFFFAOYSA-N 2 1 254.334 -0.436 20 0 CBADMP CN1CC(=O)N(CC[N@@H+](C)C2CC[NH2+]CC2)C1=O ZINC000923279134 658188615 /nfs/dbraw/zinc/18/86/15/658188615.db2.gz FZBNQAHWBMCQBK-UHFFFAOYSA-N 2 1 254.334 -0.436 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923279858 658189911 /nfs/dbraw/zinc/18/99/11/658189911.db2.gz CKVXPPFFOCGNNK-OLZOCXBDSA-N 2 1 295.387 -0.969 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@](C)(C[NH3+])C1CC1 ZINC000923295794 658195232 /nfs/dbraw/zinc/19/52/32/658195232.db2.gz HPHFNRNUZVUQPH-CHWSQXEVSA-N 2 1 259.394 -0.358 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000923287713 658195417 /nfs/dbraw/zinc/19/54/17/658195417.db2.gz FIAJSASBTKMSQH-GHMZBOCLSA-N 2 1 268.361 -0.060 20 0 CBADMP CC(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923302573 658196917 /nfs/dbraw/zinc/19/69/17/658196917.db2.gz CPBMKXBIKWDZKV-CHWSQXEVSA-N 2 1 267.373 -0.035 20 0 CBADMP COCCCNC(=O)C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923302301 658198206 /nfs/dbraw/zinc/19/82/06/658198206.db2.gz UQZJUFAXNLMFPH-GFCCVEGCSA-N 2 1 285.388 -0.551 20 0 CBADMP COCCCNC(=O)C[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923302301 658198229 /nfs/dbraw/zinc/19/82/29/658198229.db2.gz UQZJUFAXNLMFPH-GFCCVEGCSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923302079 658200170 /nfs/dbraw/zinc/20/01/70/658200170.db2.gz QKMUOXVOCUXZRB-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP C[N@H+](CC(=O)N1CCCC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923302079 658200192 /nfs/dbraw/zinc/20/01/92/658200192.db2.gz QKMUOXVOCUXZRB-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP CC[N@H+](CC(=O)N(C)C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303571 658200547 /nfs/dbraw/zinc/20/05/47/658200547.db2.gz HJYDBQSJKOGHDV-LLVKDONJSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306441 658203120 /nfs/dbraw/zinc/20/31/20/658203120.db2.gz MHJDJGGOYNPWAC-IJLUTSLNSA-N 2 1 267.373 -0.049 20 0 CBADMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306444 658204341 /nfs/dbraw/zinc/20/43/41/658204341.db2.gz MHJDJGGOYNPWAC-UTUOFQBUSA-N 2 1 267.373 -0.049 20 0 CBADMP c1cnn(C[C@H]2C[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CCO2)c1 ZINC000923323028 658210472 /nfs/dbraw/zinc/21/04/72/658210472.db2.gz OYKWDKIBDPZPFW-ZIAGYGMSSA-N 2 1 292.383 -0.038 20 0 CBADMP c1cnn(C[C@H]2C[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CCO2)c1 ZINC000923323028 658210509 /nfs/dbraw/zinc/21/05/09/658210509.db2.gz OYKWDKIBDPZPFW-ZIAGYGMSSA-N 2 1 292.383 -0.038 20 0 CBADMP OCC[N@H+](CCC[NH2+]C1CC1)CCN1CCOCC1 ZINC000923322926 658211065 /nfs/dbraw/zinc/21/10/65/658211065.db2.gz RQYWPCHGMSSYPI-UHFFFAOYSA-N 2 1 271.405 -0.245 20 0 CBADMP OCC[N@@H+](CCC[NH2+]C1CC1)CCN1CCOCC1 ZINC000923322926 658211090 /nfs/dbraw/zinc/21/10/90/658211090.db2.gz RQYWPCHGMSSYPI-UHFFFAOYSA-N 2 1 271.405 -0.245 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C ZINC000923322373 658212335 /nfs/dbraw/zinc/21/23/35/658212335.db2.gz KRGJGRANZFEFDV-HZSPNIEDSA-N 2 1 283.416 -0.248 20 0 CBADMP C[C@H](O)CN1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C ZINC000923322373 658212357 /nfs/dbraw/zinc/21/23/57/658212357.db2.gz KRGJGRANZFEFDV-HZSPNIEDSA-N 2 1 283.416 -0.248 20 0 CBADMP C[C@H](O)CN1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C ZINC000923322373 658212376 /nfs/dbraw/zinc/21/23/76/658212376.db2.gz KRGJGRANZFEFDV-HZSPNIEDSA-N 2 1 283.416 -0.248 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H](CN3CCOCC3)C2)C1 ZINC000923325297 658216666 /nfs/dbraw/zinc/21/66/66/658216666.db2.gz SYAAYKTXQJPBAH-XUXIUFHCSA-N 2 1 269.389 -0.509 20 0 CBADMP CCOC[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923347193 658221295 /nfs/dbraw/zinc/22/12/95/658221295.db2.gz ZORDHYROHYQCIK-STQMWFEESA-N 2 1 287.404 -0.297 20 0 CBADMP O[C@@H](Cn1cccn1)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923334548 658221655 /nfs/dbraw/zinc/22/16/55/658221655.db2.gz VWPIHPYLTQYGSA-OLZOCXBDSA-N 2 1 250.346 -0.071 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000923348246 658223141 /nfs/dbraw/zinc/22/31/41/658223141.db2.gz DPUUSOUMRPCLDO-NSHDSACASA-N 2 1 268.361 -0.059 20 0 CBADMP C[N@@H+](C[C@H](O)COC1CCOCC1)C1CC([NH3+])C1 ZINC000923360529 658227721 /nfs/dbraw/zinc/22/77/21/658227721.db2.gz CETHJSDXNWQWNM-MCIGGMRASA-N 2 1 258.362 -0.036 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H](O)COc1ccccc1 ZINC000923366555 658231736 /nfs/dbraw/zinc/23/17/36/658231736.db2.gz NCSMKAANZWKXLC-NEPJUHHUSA-N 2 1 254.330 -0.322 20 0 CBADMP C[N@H+](C[C@H](O)C[NH3+])C[C@H](O)COc1ccccc1 ZINC000923366555 658231711 /nfs/dbraw/zinc/23/17/11/658231711.db2.gz NCSMKAANZWKXLC-NEPJUHHUSA-N 2 1 254.330 -0.322 20 0 CBADMP Cc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000923365283 658235043 /nfs/dbraw/zinc/23/50/43/658235043.db2.gz DTIYGBKOYVZSBU-STQMWFEESA-N 2 1 268.357 -0.014 20 0 CBADMP Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000923365283 658235072 /nfs/dbraw/zinc/23/50/72/658235072.db2.gz DTIYGBKOYVZSBU-STQMWFEESA-N 2 1 268.357 -0.014 20 0 CBADMP CN1CC(=O)N(CC[NH2+][C@@H](C[NH3+])C(C)(C)C)C1=O ZINC000923368494 658242943 /nfs/dbraw/zinc/24/29/43/658242943.db2.gz QGFGJOYAWQFHHP-VIFPVBQESA-N 2 1 256.350 -0.157 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000923371055 658243470 /nfs/dbraw/zinc/24/34/70/658243470.db2.gz UTIJOLBFRUALEO-OLZOCXBDSA-N 2 1 273.421 -0.097 20 0 CBADMP CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923386231 658248390 /nfs/dbraw/zinc/24/83/90/658248390.db2.gz LQBZEYJJHHFNBD-NWDGAFQWSA-N 2 1 253.346 -0.425 20 0 CBADMP CC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923386228 658248500 /nfs/dbraw/zinc/24/85/00/658248500.db2.gz LQBZEYJJHHFNBD-NEPJUHHUSA-N 2 1 253.346 -0.425 20 0 CBADMP CCO[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000923387381 658251463 /nfs/dbraw/zinc/25/14/63/658251463.db2.gz MSCMYZSHEBWTOR-JHJVBQTASA-N 3 1 269.389 -0.340 20 0 CBADMP CCO[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000923387381 658251474 /nfs/dbraw/zinc/25/14/74/658251474.db2.gz MSCMYZSHEBWTOR-JHJVBQTASA-N 2 1 269.389 -0.340 20 0 CBADMP CNC(=O)[C@@]1(COC)CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923395319 658253403 /nfs/dbraw/zinc/25/34/03/658253403.db2.gz RNGXKDLMYVWBRC-DOMZBBRYSA-N 2 1 297.399 -0.408 20 0 CBADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C[C@H]1COCCO1 ZINC000923391748 658254817 /nfs/dbraw/zinc/25/48/17/658254817.db2.gz POYITMNTFPHIJB-NEPJUHHUSA-N 2 1 256.346 -0.288 20 0 CBADMP NC(=O)c1cn([C@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)nn1 ZINC000923395166 658255129 /nfs/dbraw/zinc/25/51/29/658255129.db2.gz JWZZBKPSMOKTTR-NSHDSACASA-N 2 1 278.360 -0.234 20 0 CBADMP NC(=O)c1cn([C@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)nn1 ZINC000923395166 658255133 /nfs/dbraw/zinc/25/51/33/658255133.db2.gz JWZZBKPSMOKTTR-NSHDSACASA-N 2 1 278.360 -0.234 20 0 CBADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C[C@H]1COCCO1 ZINC000923391752 658255510 /nfs/dbraw/zinc/25/55/10/658255510.db2.gz POYITMNTFPHIJB-RYUDHWBXSA-N 2 1 256.346 -0.288 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000923399384 658256060 /nfs/dbraw/zinc/25/60/60/658256060.db2.gz PCFXOSJJSJSYRX-CHWSQXEVSA-N 2 1 271.405 -0.200 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)[C@H]12 ZINC000923413490 658269332 /nfs/dbraw/zinc/26/93/32/658269332.db2.gz DZQFTJFZJQMINA-UPJWGTAASA-N 2 1 295.383 -0.656 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)[C@H]12 ZINC000923413490 658269370 /nfs/dbraw/zinc/26/93/70/658269370.db2.gz DZQFTJFZJQMINA-UPJWGTAASA-N 2 1 295.383 -0.656 20 0 CBADMP CN1CC(=O)N(CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1=O ZINC000923414164 658272206 /nfs/dbraw/zinc/27/22/06/658272206.db2.gz JWLZNSWSUBWCOX-NWDGAFQWSA-N 2 1 280.372 -0.046 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1=O ZINC000923414164 658272225 /nfs/dbraw/zinc/27/22/25/658272225.db2.gz JWLZNSWSUBWCOX-NWDGAFQWSA-N 2 1 280.372 -0.046 20 0 CBADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923427776 658273865 /nfs/dbraw/zinc/27/38/65/658273865.db2.gz VUMWRPGAQGJYQI-RWMBFGLXSA-N 3 1 251.374 -0.094 20 0 CBADMP C[C@]12C[NH2+]C[C@H]1CN(C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923427776 658273877 /nfs/dbraw/zinc/27/38/77/658273877.db2.gz VUMWRPGAQGJYQI-RWMBFGLXSA-N 2 1 251.374 -0.094 20 0 CBADMP CN1C[C@@H]2CC[C@H](CC1=O)[N@H+]2[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923427876 658274663 /nfs/dbraw/zinc/27/46/63/658274663.db2.gz LCZAXXJOYIVNHP-OSUNSFLBSA-N 2 1 253.346 -0.468 20 0 CBADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462845 658293038 /nfs/dbraw/zinc/29/30/38/658293038.db2.gz BROPKVPPIYUALM-NSHDSACASA-N 2 1 299.419 -0.506 20 0 CBADMP CCCCOCCNC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461747 658293254 /nfs/dbraw/zinc/29/32/54/658293254.db2.gz UISXMIZWDTVPJQ-UHFFFAOYSA-N 2 1 286.420 -0.586 20 0 CBADMP CCCn1nccc1NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923462889 658294226 /nfs/dbraw/zinc/29/42/26/658294226.db2.gz MFXUIHOMSPNHCI-UHFFFAOYSA-N 2 1 294.403 -0.274 20 0 CBADMP O=C1[C@H](N2CC[NH2+]CC[NH2+]CC2)CCN1CC(F)(F)F ZINC000923461692 658294471 /nfs/dbraw/zinc/29/44/71/658294471.db2.gz SCJJUJGNOHTUGK-SNVBAGLBSA-N 2 1 294.321 -0.356 20 0 CBADMP C[C@H]1C[N@@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@H]1C[NH3+] ZINC000923498677 658307609 /nfs/dbraw/zinc/30/76/09/658307609.db2.gz KPQDLGLSPCQNLY-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497066 658308138 /nfs/dbraw/zinc/30/81/38/658308138.db2.gz KQBYJMGXVDBNTJ-VXGBXAGGSA-N 2 1 285.388 -0.075 20 0 CBADMP C[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@H]1C[NH3+] ZINC000923502521 658311583 /nfs/dbraw/zinc/31/15/83/658311583.db2.gz ZLMRMCGPMVQABG-MNOVXSKESA-N 2 1 280.372 -0.499 20 0 CBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000923514112 658312180 /nfs/dbraw/zinc/31/21/80/658312180.db2.gz ORLQFOLCBIFRML-BNOWGMLFSA-N 2 1 296.415 -0.360 20 0 CBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000923514112 658312198 /nfs/dbraw/zinc/31/21/98/658312198.db2.gz ORLQFOLCBIFRML-BNOWGMLFSA-N 2 1 296.415 -0.360 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519078 658313502 /nfs/dbraw/zinc/31/35/02/658313502.db2.gz OUGWLWOJCMQIJI-VHSXEESVSA-N 2 1 254.334 -0.627 20 0 CBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515960 658313903 /nfs/dbraw/zinc/31/39/03/658313903.db2.gz PATJJKKVENYBTK-XQQFMLRXSA-N 2 1 258.362 -0.448 20 0 CBADMP O=S1(=O)NC[C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCN21 ZINC000923549088 658318403 /nfs/dbraw/zinc/31/84/03/658318403.db2.gz GEQIXLOEHNPNMB-GFCCVEGCSA-N 2 1 288.417 -0.790 20 0 CBADMP O=S(=O)(N[C@@H]1CC[N@@H+](CC2CC2)C1)C1C[NH2+]C1 ZINC000923607966 658350066 /nfs/dbraw/zinc/35/00/66/658350066.db2.gz FWITYTBXKKXJRL-SNVBAGLBSA-N 2 1 259.375 -0.638 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923628065 658364408 /nfs/dbraw/zinc/36/44/08/658364408.db2.gz NYDRPENCFHHHMV-GZMMTYOYSA-N 2 1 259.375 -0.640 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923630363 658364509 /nfs/dbraw/zinc/36/45/09/658364509.db2.gz XCWIYMLFLSZXKK-CMPLNLGQSA-N 2 1 273.402 -0.296 20 0 CBADMP CC(C)[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[N@@H+]1C ZINC000923667042 658389712 /nfs/dbraw/zinc/38/97/12/658389712.db2.gz PPWQDINWXLMQDR-LLVKDONJSA-N 2 1 261.391 -0.440 20 0 CBADMP CC(C)[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[N@H+]1C ZINC000923667042 658389724 /nfs/dbraw/zinc/38/97/24/658389724.db2.gz PPWQDINWXLMQDR-LLVKDONJSA-N 2 1 261.391 -0.440 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000923720887 658411402 /nfs/dbraw/zinc/41/14/02/658411402.db2.gz WOMPEHCLFVIJDL-NWDGAFQWSA-N 2 1 287.429 -0.048 20 0 CBADMP O=C(CC[NH+]1CCCCC1)N1CC[NH+](CCO)CC1 ZINC000957774005 658487122 /nfs/dbraw/zinc/48/71/22/658487122.db2.gz BSJNRUWDZIHCJB-UHFFFAOYSA-N 2 1 269.389 -0.001 20 0 CBADMP C[NH+](C)C[C@H]1NC(=O)N(C[C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000924485677 658605995 /nfs/dbraw/zinc/60/59/95/658605995.db2.gz MIPWFKBODKXKSM-CMPLNLGQSA-N 2 1 280.372 -0.047 20 0 CBADMP C[NH+](C)C[C@@H]1NC(=O)N(C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1=O ZINC000924561215 658613680 /nfs/dbraw/zinc/61/36/80/658613680.db2.gz SDSJIIFKHBMYOO-TUAOUCFPSA-N 2 1 296.371 -0.668 20 0 CBADMP CC[N@@H+](CCN1C(=O)N[C@H](C[NH+](C)C)C1=O)C1CC1 ZINC000924575547 658616040 /nfs/dbraw/zinc/61/60/40/658616040.db2.gz XHKBYLSZJLECPW-LLVKDONJSA-N 2 1 268.361 -0.047 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1C ZINC000924978069 658685443 /nfs/dbraw/zinc/68/54/43/658685443.db2.gz INWXIHNHSLMWQN-GHMZBOCLSA-N 2 1 252.318 -0.627 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924978069 658685456 /nfs/dbraw/zinc/68/54/56/658685456.db2.gz INWXIHNHSLMWQN-GHMZBOCLSA-N 2 1 252.318 -0.627 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000924980500 658691201 /nfs/dbraw/zinc/69/12/01/658691201.db2.gz GJTSSOZMVTUBFN-STQMWFEESA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000924996206 658707066 /nfs/dbraw/zinc/70/70/66/658707066.db2.gz QDLASXDUSHIMNJ-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[N@H+](C)CCO)CC2 ZINC000925001070 658715508 /nfs/dbraw/zinc/71/55/08/658715508.db2.gz XQVMYPCXXXVSPN-LBPRGKRZSA-N 2 1 280.372 -0.206 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[N@@H+](C)CCO)CC2 ZINC000925001070 658715519 /nfs/dbraw/zinc/71/55/19/658715519.db2.gz XQVMYPCXXXVSPN-LBPRGKRZSA-N 2 1 280.372 -0.206 20 0 CBADMP C[NH+](C)C[C@@H]1NC(=O)N(CCCC[NH+]2CCOCC2)C1=O ZINC000925281870 658814808 /nfs/dbraw/zinc/81/48/08/658814808.db2.gz FFCLWQWEIDSLRF-LBPRGKRZSA-N 2 1 298.387 -0.419 20 0 CBADMP C[NH+](C)C[C@@H]1NC(=O)N(C[C@@H]2CCC[N@H+]2C)C1=O ZINC000925288043 658815590 /nfs/dbraw/zinc/81/55/90/658815590.db2.gz BGUPODHBWRYEON-UWVGGRQHSA-N 2 1 254.334 -0.437 20 0 CBADMP CC[N@H+]1CCC[C@@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925300525 658820240 /nfs/dbraw/zinc/82/02/40/658820240.db2.gz WLVMMYHFEMBXSL-MNOVXSKESA-N 2 1 268.361 -0.047 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000925331427 658827349 /nfs/dbraw/zinc/82/73/49/658827349.db2.gz JNYFYEIYXHHBIL-NWDGAFQWSA-N 2 1 272.393 -0.308 20 0 CBADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925331427 658827351 /nfs/dbraw/zinc/82/73/51/658827351.db2.gz JNYFYEIYXHHBIL-NWDGAFQWSA-N 2 1 272.393 -0.308 20 0 CBADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000925331427 658827356 /nfs/dbraw/zinc/82/73/56/658827356.db2.gz JNYFYEIYXHHBIL-NWDGAFQWSA-N 2 1 272.393 -0.308 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CC[NH+](CCO)C[C@@H]2C)CC[N@@H+]1C ZINC000925340306 658830173 /nfs/dbraw/zinc/83/01/73/658830173.db2.gz JIQYHBPPAPUSJO-YNEHKIRRSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CC[NH+](CCO)C[C@@H]2C)CC[N@H+]1C ZINC000925340306 658830176 /nfs/dbraw/zinc/83/01/76/658830176.db2.gz JIQYHBPPAPUSJO-YNEHKIRRSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CC[N@H+](CCO)C[C@@H]2C)CC[NH+]1C ZINC000925340306 658830179 /nfs/dbraw/zinc/83/01/79/658830179.db2.gz JIQYHBPPAPUSJO-YNEHKIRRSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)CC[NH+]1C ZINC000925340306 658830180 /nfs/dbraw/zinc/83/01/80/658830180.db2.gz JIQYHBPPAPUSJO-YNEHKIRRSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000961766828 658833000 /nfs/dbraw/zinc/83/30/00/658833000.db2.gz VUBBHGXDCQNENO-RMRHIDDWSA-N 2 1 281.400 -0.243 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC000961766828 658833004 /nfs/dbraw/zinc/83/30/04/658833004.db2.gz VUBBHGXDCQNENO-RMRHIDDWSA-N 2 1 281.400 -0.243 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC000961766828 658833007 /nfs/dbraw/zinc/83/30/07/658833007.db2.gz VUBBHGXDCQNENO-RMRHIDDWSA-N 2 1 281.400 -0.243 20 0 CBADMP CCO[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C)C[NH+](C)C ZINC000925431136 658851321 /nfs/dbraw/zinc/85/13/21/658851321.db2.gz COOHIFXVRCSFSA-NEPJUHHUSA-N 2 1 272.393 -0.044 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C)CC[N@@H+](C)C1 ZINC000925432460 658851848 /nfs/dbraw/zinc/85/18/48/658851848.db2.gz SPLAIBYBIIFOQA-RYUDHWBXSA-N 2 1 298.387 -0.563 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC[NH+](C)C1 ZINC000925432460 658851850 /nfs/dbraw/zinc/85/18/50/658851850.db2.gz SPLAIBYBIIFOQA-RYUDHWBXSA-N 2 1 298.387 -0.563 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)CC[NH+](C)C1 ZINC000925432460 658851856 /nfs/dbraw/zinc/85/18/56/658851856.db2.gz SPLAIBYBIIFOQA-RYUDHWBXSA-N 2 1 298.387 -0.563 20 0 CBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925434442 658853510 /nfs/dbraw/zinc/85/35/10/658853510.db2.gz KLCFTAVVWJIVSR-LBPRGKRZSA-N 2 1 299.419 -0.648 20 0 CBADMP CN1CCC([N@@H+]2CC[C@@H](N[C@H]3C[NH2+]CCOC3)C2)CC1 ZINC000925482155 658856645 /nfs/dbraw/zinc/85/66/45/658856645.db2.gz LWMQVUXTVAVUJW-KGLIPLIRSA-N 2 1 282.432 -0.267 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](N[C@H]3C[NH2+]CCOC3)C2)CC1 ZINC000925482155 658856647 /nfs/dbraw/zinc/85/66/47/658856647.db2.gz LWMQVUXTVAVUJW-KGLIPLIRSA-N 2 1 282.432 -0.267 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962554961 658857030 /nfs/dbraw/zinc/85/70/30/658857030.db2.gz KUEPHWDNILKASG-CIQGVGRVSA-N 2 1 267.373 -0.491 20 0 CBADMP CN(CCC[NH2+][C@@H]1CC[NH2+]C1(C)C)S(C)(=O)=O ZINC000925542089 658858133 /nfs/dbraw/zinc/85/81/33/658858133.db2.gz GNNMOFWHSVWTQJ-SNVBAGLBSA-N 2 1 263.407 -0.002 20 0 CBADMP O=C(NCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccn[nH]1 ZINC000925631936 658863589 /nfs/dbraw/zinc/86/35/89/658863589.db2.gz LOIKLYYNQNFZHX-BSFRTMCYSA-N 2 1 275.356 -0.275 20 0 CBADMP O[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)Cn1ccnn1 ZINC000925686157 658865881 /nfs/dbraw/zinc/86/58/81/658865881.db2.gz QDHOZLJAQAWPMH-ASHHDVGLSA-N 2 1 263.345 -0.775 20 0 CBADMP C(CN1CC[NH2+]CC1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925687724 658865965 /nfs/dbraw/zinc/86/59/65/658865965.db2.gz AHZLDBKYLMFVFL-MEBFFEOJSA-N 3 1 250.390 -0.522 20 0 CBADMP 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 658867665 /nfs/dbraw/zinc/86/76/65/658867665.db2.gz GPKYVNPHNAUNSQ-GXYBRJDSSA-N 2 1 292.427 -0.088 20 0 CBADMP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925722106 658867666 /nfs/dbraw/zinc/86/76/66/658867666.db2.gz GPKYVNPHNAUNSQ-GXYBRJDSSA-N 2 1 292.427 -0.088 20 0 CBADMP 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 658867961 /nfs/dbraw/zinc/86/79/61/658867961.db2.gz GPKYVNPHNAUNSQ-PMKSJIGOSA-N 2 1 292.427 -0.088 20 0 CBADMP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925722111 658867964 /nfs/dbraw/zinc/86/79/64/658867964.db2.gz GPKYVNPHNAUNSQ-PMKSJIGOSA-N 2 1 292.427 -0.088 20 0 CBADMP 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 658868110 /nfs/dbraw/zinc/86/81/10/658868110.db2.gz GPKYVNPHNAUNSQ-UQGHGMQMSA-N 2 1 292.427 -0.088 20 0 CBADMP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925722114 658868112 /nfs/dbraw/zinc/86/81/12/658868112.db2.gz GPKYVNPHNAUNSQ-UQGHGMQMSA-N 2 1 292.427 -0.088 20 0 CBADMP O=C1OC[C@]2(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)COCCN12 ZINC000925735547 658869231 /nfs/dbraw/zinc/86/92/31/658869231.db2.gz VWHLYAGNWDNZHP-BBWHYJIMSA-N 2 1 293.367 -0.206 20 0 CBADMP O=C1NCCN1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000925776758 658871198 /nfs/dbraw/zinc/87/11/98/658871198.db2.gz IVQXQOGIRNWSEB-JHJVBQTASA-N 2 1 282.388 -0.242 20 0 CBADMP C[C@H](CC(N)=O)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925793465 658873091 /nfs/dbraw/zinc/87/30/91/658873091.db2.gz IKGSYLATZGOXQU-MNOVXSKESA-N 2 1 255.362 -0.001 20 0 CBADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926334937 658893181 /nfs/dbraw/zinc/89/31/81/658893181.db2.gz WEFBZEFOFDBLNP-STQMWFEESA-N 2 1 296.415 -0.406 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C[C@H]1[NH3+] ZINC000926337958 658893719 /nfs/dbraw/zinc/89/37/19/658893719.db2.gz UCSLYROOHNFELN-FDYHWXHSSA-N 2 1 294.399 -0.513 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000926443550 658899992 /nfs/dbraw/zinc/89/99/92/658899992.db2.gz OEQGBGOLWBHIRT-STQMWFEESA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000926443550 658899994 /nfs/dbraw/zinc/89/99/94/658899994.db2.gz OEQGBGOLWBHIRT-STQMWFEESA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000926443548 658901037 /nfs/dbraw/zinc/90/10/37/658901037.db2.gz OEQGBGOLWBHIRT-QWHCGFSZSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000926443548 658901041 /nfs/dbraw/zinc/90/10/41/658901041.db2.gz OEQGBGOLWBHIRT-QWHCGFSZSA-N 2 1 298.431 -0.019 20 0 CBADMP CCO[C@@H](CNC(=O)N1CC[NH+](C)CC1)C[NH+](C)C ZINC000926824770 658915645 /nfs/dbraw/zinc/91/56/45/658915645.db2.gz SBJAKRQFORSFPN-LBPRGKRZSA-N 2 1 272.393 -0.090 20 0 CBADMP C[C@@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)Cn1ccnc1 ZINC000968702676 658938455 /nfs/dbraw/zinc/93/84/55/658938455.db2.gz OFNLLQLANKKJMT-VXGBXAGGSA-N 2 1 266.345 -0.298 20 0 CBADMP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000968916195 658945310 /nfs/dbraw/zinc/94/53/10/658945310.db2.gz YNDJLWHUDJWLMP-MNOVXSKESA-N 2 1 291.355 -0.564 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC000969353852 658979770 /nfs/dbraw/zinc/97/97/70/658979770.db2.gz XNZTZMABZDZHOF-GHMZBOCLSA-N 2 1 279.344 -0.744 20 0 CBADMP C[C@H](NC(=O)[C@H]1CCCN1C)C1CN(CC(=O)N(C)C)C1 ZINC000969411712 658985814 /nfs/dbraw/zinc/98/58/14/658985814.db2.gz OOXCAPUCWMKCNW-WCQYABFASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CCCN1C)C1CN(CC(=O)N(C)C)C1 ZINC000969411713 658988367 /nfs/dbraw/zinc/98/83/67/658988367.db2.gz OOXCAPUCWMKCNW-YPMHNXCESA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000969595263 659008115 /nfs/dbraw/zinc/00/81/15/659008115.db2.gz TYDZYZJKZFYOFZ-QJPTWQEYSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)CC[N@H+]1C ZINC000969721208 659013581 /nfs/dbraw/zinc/01/35/81/659013581.db2.gz BUYCFDMHMCWANF-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CCCO)C1 ZINC000969944322 659025971 /nfs/dbraw/zinc/02/59/71/659025971.db2.gz MRUREOCOICRBFM-YRGRVCCFSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CCCO)C1 ZINC000969944322 659025977 /nfs/dbraw/zinc/02/59/77/659025977.db2.gz MRUREOCOICRBFM-YRGRVCCFSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970367179 659052398 /nfs/dbraw/zinc/05/23/98/659052398.db2.gz PCOMYQDCMVPPTR-MNOVXSKESA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970868934 659073529 /nfs/dbraw/zinc/07/35/29/659073529.db2.gz OIFAGZVHEBKQRK-RYUDHWBXSA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970868934 659073537 /nfs/dbraw/zinc/07/35/37/659073537.db2.gz OIFAGZVHEBKQRK-RYUDHWBXSA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCCO)C1 ZINC000970879107 659074026 /nfs/dbraw/zinc/07/40/26/659074026.db2.gz RQQVOBRXLXOSHF-NEPJUHHUSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](O)C1)[NH+]1CCC[C@H](O)C1 ZINC000929215750 659101456 /nfs/dbraw/zinc/10/14/56/659101456.db2.gz RXOGTFAMVCKZHO-MCIONIFRSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CCC[C@@H](O)C1)[NH+]1CCC[C@H](O)C1 ZINC000929215750 659101464 /nfs/dbraw/zinc/10/14/64/659101464.db2.gz RXOGTFAMVCKZHO-MCIONIFRSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCC[C@@H](O)C1)[N@@H+]1CCC[C@H](O)C1 ZINC000929215750 659101475 /nfs/dbraw/zinc/10/14/75/659101475.db2.gz RXOGTFAMVCKZHO-MCIONIFRSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCC[C@@H](O)C1)[N@H+]1CCC[C@H](O)C1 ZINC000929215750 659101485 /nfs/dbraw/zinc/10/14/85/659101485.db2.gz RXOGTFAMVCKZHO-MCIONIFRSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972231497 659111043 /nfs/dbraw/zinc/11/10/43/659111043.db2.gz GEYNNQWZEVVCPW-YPMHNXCESA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+](C)CC(N)=O)C2)C1 ZINC000972332122 659115536 /nfs/dbraw/zinc/11/55/36/659115536.db2.gz AWYAYJIJJJCJTG-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH+](C)CC(N)=O)C2)C1 ZINC000972332122 659115542 /nfs/dbraw/zinc/11/55/42/659115542.db2.gz AWYAYJIJJJCJTG-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)C1 ZINC000972332122 659115552 /nfs/dbraw/zinc/11/55/52/659115552.db2.gz AWYAYJIJJJCJTG-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC000972332122 659115555 /nfs/dbraw/zinc/11/55/55/659115555.db2.gz AWYAYJIJJJCJTG-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH+](C)CCO)C2)C1 ZINC000972335078 659116697 /nfs/dbraw/zinc/11/66/97/659116697.db2.gz MTOAIEXQHGJUBR-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@H+](C)CCO)C2)C1 ZINC000972335078 659116699 /nfs/dbraw/zinc/11/66/99/659116699.db2.gz MTOAIEXQHGJUBR-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)C1 ZINC000972335078 659116705 /nfs/dbraw/zinc/11/67/05/659116705.db2.gz MTOAIEXQHGJUBR-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972552863 659119802 /nfs/dbraw/zinc/11/98/02/659119802.db2.gz UUTSDKIECSBRMO-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972552863 659119807 /nfs/dbraw/zinc/11/98/07/659119807.db2.gz UUTSDKIECSBRMO-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972735224 659126642 /nfs/dbraw/zinc/12/66/42/659126642.db2.gz KHZUSSQNFVDYGI-OLZOCXBDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000929567951 659142912 /nfs/dbraw/zinc/14/29/12/659142912.db2.gz NINMPOPIHWJCAT-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000929567951 659142916 /nfs/dbraw/zinc/14/29/16/659142916.db2.gz NINMPOPIHWJCAT-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000929567951 659142920 /nfs/dbraw/zinc/14/29/20/659142920.db2.gz NINMPOPIHWJCAT-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000929567951 659142921 /nfs/dbraw/zinc/14/29/21/659142921.db2.gz NINMPOPIHWJCAT-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000929627415 659153474 /nfs/dbraw/zinc/15/34/74/659153474.db2.gz IYLUPIGMVTVOIJ-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000929627415 659153482 /nfs/dbraw/zinc/15/34/82/659153482.db2.gz IYLUPIGMVTVOIJ-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C)C1CC1 ZINC000929932920 659187511 /nfs/dbraw/zinc/18/75/11/659187511.db2.gz BKWWLMFZRABLSE-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C)C1CC1 ZINC000929932920 659187514 /nfs/dbraw/zinc/18/75/14/659187514.db2.gz BKWWLMFZRABLSE-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C1CC1 ZINC000929932920 659187517 /nfs/dbraw/zinc/18/75/17/659187517.db2.gz BKWWLMFZRABLSE-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)C1CC1 ZINC000929932920 659187519 /nfs/dbraw/zinc/18/75/19/659187519.db2.gz BKWWLMFZRABLSE-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)C3(O)CCC3)CC2)C1 ZINC000929980416 659189713 /nfs/dbraw/zinc/18/97/13/659189713.db2.gz KISYZHYFUIVELP-CABCVRRESA-N 2 1 297.443 -0.026 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000929992917 659194375 /nfs/dbraw/zinc/19/43/75/659194375.db2.gz YHGODSXLWNWSBZ-QWHCGFSZSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000929992917 659194378 /nfs/dbraw/zinc/19/43/78/659194378.db2.gz YHGODSXLWNWSBZ-QWHCGFSZSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000929992917 659194380 /nfs/dbraw/zinc/19/43/80/659194380.db2.gz YHGODSXLWNWSBZ-QWHCGFSZSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000929992917 659194387 /nfs/dbraw/zinc/19/43/87/659194387.db2.gz YHGODSXLWNWSBZ-QWHCGFSZSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H](O)[C@H](O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000930059451 659201688 /nfs/dbraw/zinc/20/16/88/659201688.db2.gz DDETZOQXGHUMND-MEBFFEOJSA-N 2 1 272.389 -0.088 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC[N@@H+]1C ZINC000930146642 659222004 /nfs/dbraw/zinc/22/20/04/659222004.db2.gz VVUYTAHVTXZLGX-UTUOFQBUSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC[N@H+]1C ZINC000930146642 659222010 /nfs/dbraw/zinc/22/20/10/659222010.db2.gz VVUYTAHVTXZLGX-UTUOFQBUSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC[NH+]1C ZINC000930146642 659222024 /nfs/dbraw/zinc/22/20/24/659222024.db2.gz VVUYTAHVTXZLGX-UTUOFQBUSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC[NH+]1C ZINC000930146642 659222033 /nfs/dbraw/zinc/22/20/33/659222033.db2.gz VVUYTAHVTXZLGX-UTUOFQBUSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H](CNC(=O)CN1C[C@@H](C)[C@@H](O)C1)[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000930161278 659226839 /nfs/dbraw/zinc/22/68/39/659226839.db2.gz IJBYSFFTWKVEAK-IKOXMDCHSA-N 2 1 299.415 -0.884 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1)[NH+]1C[C@H](C)[C@H](O)C1 ZINC000930161278 659226846 /nfs/dbraw/zinc/22/68/46/659226846.db2.gz IJBYSFFTWKVEAK-IKOXMDCHSA-N 2 1 299.415 -0.884 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1C[C@@H](C)[C@@H](O)C1)[NH+]1C[C@H](C)[C@H](O)C1 ZINC000930161278 659226858 /nfs/dbraw/zinc/22/68/58/659226858.db2.gz IJBYSFFTWKVEAK-IKOXMDCHSA-N 2 1 299.415 -0.884 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1C[C@@H](C)[C@@H](O)C1)[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000930161278 659226866 /nfs/dbraw/zinc/22/68/66/659226866.db2.gz IJBYSFFTWKVEAK-IKOXMDCHSA-N 2 1 299.415 -0.884 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1C[C@@H](C)[C@@H](O)C1)[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000930161278 659226878 /nfs/dbraw/zinc/22/68/78/659226878.db2.gz IJBYSFFTWKVEAK-IKOXMDCHSA-N 2 1 299.415 -0.884 20 0 CBADMP CC[C@H](CO)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000930168382 659231682 /nfs/dbraw/zinc/23/16/82/659231682.db2.gz NZTRFHBDYNCJME-CYBMUJFWSA-N 2 1 272.389 -0.084 20 0 CBADMP C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980404863 659269308 /nfs/dbraw/zinc/26/93/08/659269308.db2.gz DNCYDZHMDZXTPD-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405184 659269401 /nfs/dbraw/zinc/26/94/01/659269401.db2.gz GYNSZPIBYGGMGJ-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000980406285 659270610 /nfs/dbraw/zinc/27/06/10/659270610.db2.gz BOSNBPVEVBMFEE-LBPRGKRZSA-N 2 1 266.345 -0.283 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000980406285 659270631 /nfs/dbraw/zinc/27/06/31/659270631.db2.gz BOSNBPVEVBMFEE-LBPRGKRZSA-N 2 1 266.345 -0.283 20 0 CBADMP C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980404849 659271999 /nfs/dbraw/zinc/27/19/99/659271999.db2.gz DNCYDZHMDZXTPD-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](O)C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C[C@@H](C)O ZINC000930533757 659303573 /nfs/dbraw/zinc/30/35/73/659303573.db2.gz SPDHNXVYSWKHNO-IJLUTSLNSA-N 2 1 275.393 -0.884 20 0 CBADMP C[C@@H](O)C[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)C[C@@H](C)O ZINC000930533757 659303579 /nfs/dbraw/zinc/30/35/79/659303579.db2.gz SPDHNXVYSWKHNO-IJLUTSLNSA-N 2 1 275.393 -0.884 20 0 CBADMP C[C@@H](O)C[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)C[C@@H](C)O ZINC000930533757 659303588 /nfs/dbraw/zinc/30/35/88/659303588.db2.gz SPDHNXVYSWKHNO-IJLUTSLNSA-N 2 1 275.393 -0.884 20 0 CBADMP COC(=O)[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CC[N@@H+](C)C1 ZINC000930713937 659328070 /nfs/dbraw/zinc/32/80/70/659328070.db2.gz QWAHWUBZFDSDGP-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP COC(=O)[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[N@@H+](C)C1 ZINC000930713939 659328328 /nfs/dbraw/zinc/32/83/28/659328328.db2.gz QWAHWUBZFDSDGP-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000930744347 659333966 /nfs/dbraw/zinc/33/39/66/659333966.db2.gz VQLNOQCPMNOYIQ-KFWWJZLASA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000981956937 659336476 /nfs/dbraw/zinc/33/64/76/659336476.db2.gz BCXWVOGYZRSZKG-CYBMUJFWSA-N 2 1 269.389 -0.145 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000981956937 659336480 /nfs/dbraw/zinc/33/64/80/659336480.db2.gz BCXWVOGYZRSZKG-CYBMUJFWSA-N 2 1 269.389 -0.145 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC000981956937 659336488 /nfs/dbraw/zinc/33/64/88/659336488.db2.gz BCXWVOGYZRSZKG-CYBMUJFWSA-N 2 1 269.389 -0.145 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC000930902671 659362573 /nfs/dbraw/zinc/36/25/73/659362573.db2.gz DQUQSDWZXGBFNW-CHWSQXEVSA-N 2 1 272.389 -0.349 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC000930902671 659362579 /nfs/dbraw/zinc/36/25/79/659362579.db2.gz DQUQSDWZXGBFNW-CHWSQXEVSA-N 2 1 272.389 -0.349 20 0 CBADMP C[C@H](O)[C@H](O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000931076402 659382574 /nfs/dbraw/zinc/38/25/74/659382574.db2.gz RBUMOGLITKCSGF-RWMBFGLXSA-N 2 1 260.378 -0.229 20 0 CBADMP C[C@H](O)[C@H](O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000931076402 659382577 /nfs/dbraw/zinc/38/25/77/659382577.db2.gz RBUMOGLITKCSGF-RWMBFGLXSA-N 2 1 260.378 -0.229 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCNC(=O)CC2(C)C)CC1 ZINC000931203275 659409206 /nfs/dbraw/zinc/40/92/06/659409206.db2.gz HJCRJLOTMMDRQG-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCNC(=O)CC2(C)C)CC1 ZINC000931203275 659409214 /nfs/dbraw/zinc/40/92/14/659409214.db2.gz HJCRJLOTMMDRQG-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP COC(=O)CNC(=O)CC[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931307942 659428700 /nfs/dbraw/zinc/42/87/00/659428700.db2.gz QDNUZXTYOJWBHM-GASCZTMLSA-N 2 1 297.399 -0.061 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931307942 659428743 /nfs/dbraw/zinc/42/87/43/659428743.db2.gz QDNUZXTYOJWBHM-GASCZTMLSA-N 2 1 297.399 -0.061 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931307942 659428759 /nfs/dbraw/zinc/42/87/59/659428759.db2.gz QDNUZXTYOJWBHM-GASCZTMLSA-N 2 1 297.399 -0.061 20 0 CBADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@@H]2C1 ZINC000931424503 659458730 /nfs/dbraw/zinc/45/87/30/659458730.db2.gz AUYQTPVNAZBWBN-OLZOCXBDSA-N 2 1 267.373 -0.271 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@@H]2C1 ZINC000931424503 659458735 /nfs/dbraw/zinc/45/87/35/659458735.db2.gz AUYQTPVNAZBWBN-OLZOCXBDSA-N 2 1 267.373 -0.271 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]2C1 ZINC000931424503 659458741 /nfs/dbraw/zinc/45/87/41/659458741.db2.gz AUYQTPVNAZBWBN-OLZOCXBDSA-N 2 1 267.373 -0.271 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]2C1 ZINC000931424503 659458743 /nfs/dbraw/zinc/45/87/43/659458743.db2.gz AUYQTPVNAZBWBN-OLZOCXBDSA-N 2 1 267.373 -0.271 20 0 CBADMP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000986959281 659485117 /nfs/dbraw/zinc/48/51/17/659485117.db2.gz PBSNYPYSXSMDIV-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H]1C ZINC000987531097 659509999 /nfs/dbraw/zinc/50/99/99/659509999.db2.gz KEWYZJRPJNVFNF-MWLCHTKSSA-N 2 1 279.344 -0.744 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CCO)[C@@H]1C ZINC000987515622 659510103 /nfs/dbraw/zinc/51/01/03/659510103.db2.gz BVIVOHVHTOYESC-CMPLNLGQSA-N 2 1 266.345 -0.237 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@@H](O)CO)CCN1c1cc[nH+]cc1 ZINC000931683446 659511530 /nfs/dbraw/zinc/51/15/30/659511530.db2.gz IPJMXNBENCQRCH-DGCLKSJQSA-N 2 1 251.330 -0.055 20 0 CBADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931872520 659534516 /nfs/dbraw/zinc/53/45/16/659534516.db2.gz NDCZZFHENLTLSJ-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931872520 659534529 /nfs/dbraw/zinc/53/45/29/659534529.db2.gz NDCZZFHENLTLSJ-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931875365 659535028 /nfs/dbraw/zinc/53/50/28/659535028.db2.gz XPMOASUSOAVOJA-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931875365 659535045 /nfs/dbraw/zinc/53/50/45/659535045.db2.gz XPMOASUSOAVOJA-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931874886 659535108 /nfs/dbraw/zinc/53/51/08/659535108.db2.gz MEPOZBOPAWJFEC-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931874886 659535116 /nfs/dbraw/zinc/53/51/16/659535116.db2.gz MEPOZBOPAWJFEC-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931874886 659535135 /nfs/dbraw/zinc/53/51/35/659535135.db2.gz MEPOZBOPAWJFEC-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931874886 659535145 /nfs/dbraw/zinc/53/51/45/659535145.db2.gz MEPOZBOPAWJFEC-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000931886524 659553551 /nfs/dbraw/zinc/55/35/51/659553551.db2.gz OYSCWBOCFOBGGT-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000931886524 659553556 /nfs/dbraw/zinc/55/35/56/659553556.db2.gz OYSCWBOCFOBGGT-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000931886524 659553560 /nfs/dbraw/zinc/55/35/60/659553560.db2.gz OYSCWBOCFOBGGT-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000931886524 659553566 /nfs/dbraw/zinc/55/35/66/659553566.db2.gz OYSCWBOCFOBGGT-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000932126336 659580898 /nfs/dbraw/zinc/58/08/98/659580898.db2.gz KLOWIZLYXLOALH-ZDUSSCGKSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989665635 659606311 /nfs/dbraw/zinc/60/63/11/659606311.db2.gz ILCNBRMEGYZNMT-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989665635 659606316 /nfs/dbraw/zinc/60/63/16/659606316.db2.gz ILCNBRMEGYZNMT-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989665635 659606320 /nfs/dbraw/zinc/60/63/20/659606320.db2.gz ILCNBRMEGYZNMT-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989665635 659606324 /nfs/dbraw/zinc/60/63/24/659606324.db2.gz ILCNBRMEGYZNMT-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740032 659734555 /nfs/dbraw/zinc/73/45/55/659734555.db2.gz GVUBGNOPOHQWLF-SWLSCSKDSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)CN(C)C(=O)CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933740032 659734559 /nfs/dbraw/zinc/73/45/59/659734559.db2.gz GVUBGNOPOHQWLF-SWLSCSKDSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)CN(C)C(=O)CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933740032 659734562 /nfs/dbraw/zinc/73/45/62/659734562.db2.gz GVUBGNOPOHQWLF-SWLSCSKDSA-N 2 1 297.399 -0.109 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000933847987 659742350 /nfs/dbraw/zinc/74/23/50/659742350.db2.gz RBOFWUNARFSOGC-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000990508388 659752568 /nfs/dbraw/zinc/75/25/68/659752568.db2.gz MCOJCINPWYMNAE-CHWSQXEVSA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000990508388 659752574 /nfs/dbraw/zinc/75/25/74/659752574.db2.gz MCOJCINPWYMNAE-CHWSQXEVSA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000990508388 659752579 /nfs/dbraw/zinc/75/25/79/659752579.db2.gz MCOJCINPWYMNAE-CHWSQXEVSA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000990526395 659756422 /nfs/dbraw/zinc/75/64/22/659756422.db2.gz RJDLJJWGOXQGJG-DGCLKSJQSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000990526395 659756426 /nfs/dbraw/zinc/75/64/26/659756426.db2.gz RJDLJJWGOXQGJG-DGCLKSJQSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000990526395 659756432 /nfs/dbraw/zinc/75/64/32/659756432.db2.gz RJDLJJWGOXQGJG-DGCLKSJQSA-N 2 1 294.399 -0.641 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000934270009 659798685 /nfs/dbraw/zinc/79/86/85/659798685.db2.gz SDYUQCKTKPHAGD-SOUVJXGZSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934270009 659798692 /nfs/dbraw/zinc/79/86/92/659798692.db2.gz SDYUQCKTKPHAGD-SOUVJXGZSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934270009 659798703 /nfs/dbraw/zinc/79/87/03/659798703.db2.gz SDYUQCKTKPHAGD-SOUVJXGZSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1)[NH+](C)C ZINC000991708318 659841633 /nfs/dbraw/zinc/84/16/33/659841633.db2.gz FKTBXKVVSDLFHE-AAEUAGOBSA-N 2 1 296.415 -0.395 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC000939754312 659894962 /nfs/dbraw/zinc/89/49/62/659894962.db2.gz MGTREEOJGDDRBW-MWLCHTKSSA-N 2 1 279.344 -0.887 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995551473 659902004 /nfs/dbraw/zinc/90/20/04/659902004.db2.gz NEQYWHPDPBPILM-QWRGUYRKSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944167958 659934452 /nfs/dbraw/zinc/93/44/52/659934452.db2.gz HECIMKRMHSUKHE-CHWSQXEVSA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@H]1C[C@H](NC(=O)Cn2ccnc2)CC[N@H+]1CCO ZINC000948090246 659965966 /nfs/dbraw/zinc/96/59/66/659965966.db2.gz HNDBSDZIFQDBRW-NWDGAFQWSA-N 2 1 266.345 -0.156 20 0 CBADMP C[N@H+]1CCO[C@H]2CN(c3ncnc4c3CC[NH2+]C4)C[C@@H]21 ZINC001164672581 719380707 /nfs/dbraw/zinc/38/07/07/719380707.db2.gz YPTMQXDUMUXSHM-STQMWFEESA-N 2 1 275.356 -0.359 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001076461902 805576845 /nfs/dbraw/zinc/57/68/45/805576845.db2.gz ANVQDBIMHQRLKA-FRRDWIJNSA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001076461902 805576854 /nfs/dbraw/zinc/57/68/54/805576854.db2.gz ANVQDBIMHQRLKA-FRRDWIJNSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001076461902 805576863 /nfs/dbraw/zinc/57/68/63/805576863.db2.gz ANVQDBIMHQRLKA-FRRDWIJNSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001076461902 805576864 /nfs/dbraw/zinc/57/68/64/805576864.db2.gz ANVQDBIMHQRLKA-FRRDWIJNSA-N 2 1 294.399 -0.654 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076572582 805580097 /nfs/dbraw/zinc/58/00/97/805580097.db2.gz CAWFFBGDPNOJIS-QWHCGFSZSA-N 2 1 278.356 -0.283 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076572582 805580104 /nfs/dbraw/zinc/58/01/04/805580104.db2.gz CAWFFBGDPNOJIS-QWHCGFSZSA-N 2 1 278.356 -0.283 20 0 CBADMP C[C@H](C(=O)N1CCC([NH3+])CC1)N1CC[NH+](C)CC1 ZINC000032026179 790321899 /nfs/dbraw/zinc/32/18/99/790321899.db2.gz ZMDNHFFAXFRSDG-LLVKDONJSA-N 2 1 254.378 -0.428 20 0 CBADMP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000044413011 790325435 /nfs/dbraw/zinc/32/54/35/790325435.db2.gz NRWSYUATUOTAFC-WDEREUQCSA-N 2 1 268.361 -0.996 20 0 CBADMP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000081369307 790365125 /nfs/dbraw/zinc/36/51/25/790365125.db2.gz JGNQHMVKSOYBGZ-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000081369307 790365137 /nfs/dbraw/zinc/36/51/37/790365137.db2.gz JGNQHMVKSOYBGZ-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000081369307 790365140 /nfs/dbraw/zinc/36/51/40/790365140.db2.gz JGNQHMVKSOYBGZ-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000081369307 790365151 /nfs/dbraw/zinc/36/51/51/790365151.db2.gz JGNQHMVKSOYBGZ-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP C[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091311242 790371739 /nfs/dbraw/zinc/37/17/39/790371739.db2.gz AHRWEYQNEFIIBO-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP CN(C)C(=O)NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000132995147 790389513 /nfs/dbraw/zinc/38/95/13/790389513.db2.gz URTUDPXVMDARGZ-LLVKDONJSA-N 2 1 258.366 -0.696 20 0 CBADMP O=C(NC[C@@H]1CCC[N@H+](CCO)C1)[C@H]1CCC[NH2+]1 ZINC000135409850 790394202 /nfs/dbraw/zinc/39/42/02/790394202.db2.gz MJUPGOUCSKPQAS-NWDGAFQWSA-N 2 1 255.362 -0.441 20 0 CBADMP COCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000172750140 790414055 /nfs/dbraw/zinc/41/40/55/790414055.db2.gz YXLIRYMHXMFMIA-AWEZNQCLSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000172750140 790414061 /nfs/dbraw/zinc/41/40/61/790414061.db2.gz YXLIRYMHXMFMIA-AWEZNQCLSA-N 2 1 299.415 -0.208 20 0 CBADMP COCCOC[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000234899357 790442815 /nfs/dbraw/zinc/44/28/15/790442815.db2.gz QTGMGXDSPWMVEG-MCIONIFRSA-N 2 1 288.388 -0.537 20 0 CBADMP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000234726592 790440216 /nfs/dbraw/zinc/44/02/16/790440216.db2.gz MIGZNUYOKIFLRS-STQMWFEESA-N 2 1 260.378 -0.058 20 0 CBADMP COCCOC[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000234899357 790442805 /nfs/dbraw/zinc/44/28/05/790442805.db2.gz QTGMGXDSPWMVEG-MCIONIFRSA-N 2 1 288.388 -0.537 20 0 CBADMP COCCOC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000234897159 790444361 /nfs/dbraw/zinc/44/43/61/790444361.db2.gz QTGMGXDSPWMVEG-MGPQQGTHSA-N 2 1 288.388 -0.537 20 0 CBADMP COCCOC[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000234897159 790444367 /nfs/dbraw/zinc/44/43/67/790444367.db2.gz QTGMGXDSPWMVEG-MGPQQGTHSA-N 2 1 288.388 -0.537 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000386198463 790544262 /nfs/dbraw/zinc/54/42/62/790544262.db2.gz WFCPRMREPHVBPR-OLZOCXBDSA-N 2 1 259.394 -0.404 20 0 CBADMP COCC(COC)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000384906861 790540128 /nfs/dbraw/zinc/54/01/28/790540128.db2.gz CHJPWYDHNQGHPX-LLVKDONJSA-N 2 1 273.377 -0.565 20 0 CBADMP CN(C)C(=O)CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000385317756 790540364 /nfs/dbraw/zinc/54/03/64/790540364.db2.gz HMNAWRWYDDNNSU-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000386198463 790544275 /nfs/dbraw/zinc/54/42/75/790544275.db2.gz WFCPRMREPHVBPR-OLZOCXBDSA-N 2 1 259.394 -0.404 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000386198463 790544286 /nfs/dbraw/zinc/54/42/86/790544286.db2.gz WFCPRMREPHVBPR-OLZOCXBDSA-N 2 1 259.394 -0.404 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C)C1(C[NH3+])CCC1 ZINC000385492973 790543098 /nfs/dbraw/zinc/54/30/98/790543098.db2.gz PHBUVJLDWVWQFH-LBPRGKRZSA-N 2 1 259.394 -0.261 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC000386282321 790546692 /nfs/dbraw/zinc/54/66/92/790546692.db2.gz FUFAORJZJPQTMO-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP CNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000388292867 790556400 /nfs/dbraw/zinc/55/64/00/790556400.db2.gz XCBXCWAKGJBEQK-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000388292867 790556408 /nfs/dbraw/zinc/55/64/08/790556408.db2.gz XCBXCWAKGJBEQK-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000388292865 790556830 /nfs/dbraw/zinc/55/68/30/790556830.db2.gz XCBXCWAKGJBEQK-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000388292865 790556835 /nfs/dbraw/zinc/55/68/35/790556835.db2.gz XCBXCWAKGJBEQK-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)C[NH+]1CCC(N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000392800530 790568772 /nfs/dbraw/zinc/56/87/72/790568772.db2.gz QBUSYNYCYFURIA-XNHOIOAFSA-N 2 1 292.427 -0.217 20 0 CBADMP CCCN(C[C@@H](O)C[N@@H+](C)CCOC)[C@H]1CC[NH2+]C1 ZINC000394062031 790576877 /nfs/dbraw/zinc/57/68/77/790576877.db2.gz AMRVCHWNJNNZQU-KBPBESRZSA-N 2 1 273.421 -0.001 20 0 CBADMP [NH3+][C@@H](CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2)C1CC1 ZINC000394385584 790577440 /nfs/dbraw/zinc/57/74/40/790577440.db2.gz MLERMSOGJFHYEU-STQMWFEESA-N 2 1 266.389 -0.380 20 0 CBADMP CCO[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@H]1C[NH3+] ZINC000405520704 790618286 /nfs/dbraw/zinc/61/82/86/790618286.db2.gz IZSOJEHTEIOHFC-JHJVBQTASA-N 2 1 276.377 -0.694 20 0 CBADMP C[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCCC2)C[C@H]1CO ZINC000687589327 790652738 /nfs/dbraw/zinc/65/27/38/790652738.db2.gz KYRQCUOIZVTQBL-STQMWFEESA-N 2 1 257.378 -0.949 20 0 CBADMP C[N@H+]1CCN(C[C@@H](O)C[NH+]2CCCC2)C[C@H]1CO ZINC000687589327 790652744 /nfs/dbraw/zinc/65/27/44/790652744.db2.gz KYRQCUOIZVTQBL-STQMWFEESA-N 2 1 257.378 -0.949 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000691898632 790674356 /nfs/dbraw/zinc/67/43/56/790674356.db2.gz NFLIZBXHIGWAEE-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000692012307 790676535 /nfs/dbraw/zinc/67/65/35/790676535.db2.gz CCFUKJHJKPLGDP-WOPDTQHZSA-N 2 1 255.362 -0.036 20 0 CBADMP [NH3+]C[C@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000695059758 790686963 /nfs/dbraw/zinc/68/69/63/790686963.db2.gz IBJBMDFTSVCNBB-LLVKDONJSA-N 2 1 261.391 -0.307 20 0 CBADMP [NH3+]C[C@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000695059758 790686968 /nfs/dbraw/zinc/68/69/68/790686968.db2.gz IBJBMDFTSVCNBB-LLVKDONJSA-N 2 1 261.391 -0.307 20 0 CBADMP C[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C[C@H]1C[NH3+] ZINC000695129193 790687258 /nfs/dbraw/zinc/68/72/58/790687258.db2.gz GYJLQTZCOAFVPA-NWDGAFQWSA-N 2 1 275.418 -0.061 20 0 CBADMP C[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1C[NH3+] ZINC000695129193 790687260 /nfs/dbraw/zinc/68/72/60/790687260.db2.gz GYJLQTZCOAFVPA-NWDGAFQWSA-N 2 1 275.418 -0.061 20 0 CBADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(OCC(N)=O)cc1 ZINC000699445640 790702738 /nfs/dbraw/zinc/70/27/38/790702738.db2.gz SOZARFAVDBCPGK-UHFFFAOYSA-N 2 1 281.356 -0.042 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000705379267 790725524 /nfs/dbraw/zinc/72/55/24/790725524.db2.gz HWVLKVYMKXQQGQ-AVGNSLFASA-N 2 1 260.378 -0.780 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000705379267 790725529 /nfs/dbraw/zinc/72/55/29/790725529.db2.gz HWVLKVYMKXQQGQ-AVGNSLFASA-N 2 1 260.378 -0.780 20 0 CBADMP CC(C)COC[C@@H](O)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702571152 790721351 /nfs/dbraw/zinc/72/13/51/790721351.db2.gz WLMXCYYAYJWYRA-QWHCGFSZSA-N 2 1 260.378 -0.324 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@]1(O)CCSC1)C1CC1 ZINC000705308325 790723723 /nfs/dbraw/zinc/72/37/23/790723723.db2.gz ZXDWGDWUZLZBHQ-NWDGAFQWSA-N 2 1 260.403 -0.101 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@]1(O)CCSC1)C1CC1 ZINC000705308325 790723736 /nfs/dbraw/zinc/72/37/36/790723736.db2.gz ZXDWGDWUZLZBHQ-NWDGAFQWSA-N 2 1 260.403 -0.101 20 0 CBADMP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000708816809 790735864 /nfs/dbraw/zinc/73/58/64/790735864.db2.gz VCRWBIOWWBWQMB-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720885032 790772189 /nfs/dbraw/zinc/77/21/89/790772189.db2.gz CEKOCXBPVWRQEL-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[NH2+]CCO1 ZINC000720889864 790772446 /nfs/dbraw/zinc/77/24/46/790772446.db2.gz QDHVKCXCVVUIOK-UTUOFQBUSA-N 2 1 253.346 -0.330 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720877671 790773066 /nfs/dbraw/zinc/77/30/66/790773066.db2.gz APXJLQCWVVSLJY-GMTAPVOTSA-N 2 1 299.337 -0.253 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720885038 790773081 /nfs/dbraw/zinc/77/30/81/790773081.db2.gz CEKOCXBPVWRQEL-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723696857 790803772 /nfs/dbraw/zinc/80/37/72/790803772.db2.gz ZIAXPGUDQVJQLU-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724937540 790814245 /nfs/dbraw/zinc/81/42/45/790814245.db2.gz VNLUDWLCRXDZGI-STQMWFEESA-N 2 1 285.388 -0.421 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000822123804 790833693 /nfs/dbraw/zinc/83/36/93/790833693.db2.gz FMATYRMMVBNEFM-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000828752931 790895155 /nfs/dbraw/zinc/89/51/55/790895155.db2.gz ROFZMYZNULJECN-NFAWXSAZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000828752931 790895168 /nfs/dbraw/zinc/89/51/68/790895168.db2.gz ROFZMYZNULJECN-NFAWXSAZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000828752931 790895177 /nfs/dbraw/zinc/89/51/77/790895177.db2.gz ROFZMYZNULJECN-NFAWXSAZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000828752931 790895190 /nfs/dbraw/zinc/89/51/90/790895190.db2.gz ROFZMYZNULJECN-NFAWXSAZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1)C(N)=O ZINC001020985439 790939763 /nfs/dbraw/zinc/93/97/63/790939763.db2.gz CSBCOSLMXPPPGP-BLTAXRJOSA-N 2 1 294.399 -0.417 20 0 CBADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001021895972 790965421 /nfs/dbraw/zinc/96/54/21/790965421.db2.gz SQMFZLOPCDCSBW-OUAUKWLOSA-N 2 1 293.375 -0.959 20 0 CBADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001021895972 790965431 /nfs/dbraw/zinc/96/54/31/790965431.db2.gz SQMFZLOPCDCSBW-OUAUKWLOSA-N 2 1 293.375 -0.959 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001021897301 790966171 /nfs/dbraw/zinc/96/61/71/790966171.db2.gz HMPQZVSCATUYRI-KXNHARMFSA-N 2 1 280.372 -0.794 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCF)C2)C1 ZINC001021928989 790974653 /nfs/dbraw/zinc/97/46/53/790974653.db2.gz WVHZYYSYHNWKLP-OUAUKWLOSA-N 2 1 259.325 -0.477 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCF)C2)C1 ZINC001021928989 790974659 /nfs/dbraw/zinc/97/46/59/790974659.db2.gz WVHZYYSYHNWKLP-OUAUKWLOSA-N 2 1 259.325 -0.477 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001022076961 790987175 /nfs/dbraw/zinc/98/71/75/790987175.db2.gz GSIYGAMVCAMHEP-FVCCEPFGSA-N 2 1 294.399 -0.417 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001022104214 790989475 /nfs/dbraw/zinc/98/94/75/790989475.db2.gz YSEJVGDHNKJFRR-NJMOYASZSA-N 2 1 269.389 -0.056 20 0 CBADMP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001022119751 790992235 /nfs/dbraw/zinc/99/22/35/790992235.db2.gz HQMVDZHXBSNZFF-RNJOBUHISA-N 2 1 283.372 -0.921 20 0 CBADMP 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 790992281 /nfs/dbraw/zinc/99/22/81/790992281.db2.gz KCLDKVUBBFUTQL-UJPOAAIJSA-N 2 1 294.399 -0.548 20 0 CBADMP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001022199221 790998497 /nfs/dbraw/zinc/99/84/97/790998497.db2.gz CQSGDAUPRYYZIX-TUAOUCFPSA-N 2 1 278.356 -0.010 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022293942 791002537 /nfs/dbraw/zinc/00/25/37/791002537.db2.gz XTDKVLJFNOWJNS-TUAOUCFPSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCF)C2)O1 ZINC001022275366 791003086 /nfs/dbraw/zinc/00/30/86/791003086.db2.gz KMNGELXFVVLMNM-WISYIIOYSA-N 2 1 273.352 -0.088 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCF)C2)O1 ZINC001022275366 791003094 /nfs/dbraw/zinc/00/30/94/791003094.db2.gz KMNGELXFVVLMNM-WISYIIOYSA-N 2 1 273.352 -0.088 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022436573 791014803 /nfs/dbraw/zinc/01/48/03/791014803.db2.gz MXCJWVUEHLTQRN-PHIMTYICSA-N 2 1 252.318 -0.579 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1)C(N)=O ZINC001022436255 791015880 /nfs/dbraw/zinc/01/58/80/791015880.db2.gz JAPVQLKNEUWHIU-TUAOUCFPSA-N 2 1 293.371 -0.308 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022712262 791040023 /nfs/dbraw/zinc/04/00/23/791040023.db2.gz NYHUSIFMLVDZPA-MXWKQRLJSA-N 2 1 268.361 -0.807 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022716295 791041354 /nfs/dbraw/zinc/04/13/54/791041354.db2.gz UUUDSHYKILVXOI-MXWKQRLJSA-N 2 1 268.361 -0.950 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001022713736 791042100 /nfs/dbraw/zinc/04/21/00/791042100.db2.gz MBXMKESTYLXVPD-FVCCEPFGSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)C(N)=O ZINC001022712675 791042136 /nfs/dbraw/zinc/04/21/36/791042136.db2.gz XIXZKVLBCXZPQZ-NDBYEHHHSA-N 2 1 296.415 -0.029 20 0 CBADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1O ZINC001077091176 805682470 /nfs/dbraw/zinc/68/24/70/805682470.db2.gz OVLOEEJNYYYIQZ-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1O ZINC001077091176 805682474 /nfs/dbraw/zinc/68/24/74/805682474.db2.gz OVLOEEJNYYYIQZ-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O ZINC001077091176 805682478 /nfs/dbraw/zinc/68/24/78/805682478.db2.gz OVLOEEJNYYYIQZ-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001077091176 805682479 /nfs/dbraw/zinc/68/24/79/805682479.db2.gz OVLOEEJNYYYIQZ-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001077131277 805688451 /nfs/dbraw/zinc/68/84/51/805688451.db2.gz UKYRMLSUOUCCNY-IJLUTSLNSA-N 2 1 278.356 -0.058 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001077131277 805688453 /nfs/dbraw/zinc/68/84/53/805688453.db2.gz UKYRMLSUOUCCNY-IJLUTSLNSA-N 2 1 278.356 -0.058 20 0 CBADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077280876 805708563 /nfs/dbraw/zinc/70/85/63/805708563.db2.gz OMGHVUZCNASFLB-MGPQQGTHSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077280876 805708568 /nfs/dbraw/zinc/70/85/68/805708568.db2.gz OMGHVUZCNASFLB-MGPQQGTHSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077280876 805708575 /nfs/dbraw/zinc/70/85/75/805708575.db2.gz OMGHVUZCNASFLB-MGPQQGTHSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077280876 805708582 /nfs/dbraw/zinc/70/85/82/805708582.db2.gz OMGHVUZCNASFLB-MGPQQGTHSA-N 2 1 299.415 -0.740 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001077440513 805731469 /nfs/dbraw/zinc/73/14/69/805731469.db2.gz OKRUENNVOQOLAK-MCIONIFRSA-N 2 1 297.399 -0.986 20 0 CBADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001077440513 805731477 /nfs/dbraw/zinc/73/14/77/805731477.db2.gz OKRUENNVOQOLAK-MCIONIFRSA-N 2 1 297.399 -0.986 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077679164 805765886 /nfs/dbraw/zinc/76/58/86/805765886.db2.gz IQHVROLUYNUENO-QJPTWQEYSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001077679164 805765896 /nfs/dbraw/zinc/76/58/96/805765896.db2.gz IQHVROLUYNUENO-QJPTWQEYSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001077679164 805765903 /nfs/dbraw/zinc/76/59/03/805765903.db2.gz IQHVROLUYNUENO-QJPTWQEYSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685618 805766493 /nfs/dbraw/zinc/76/64/93/805766493.db2.gz XIBDATQNYGNUPM-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685618 805766499 /nfs/dbraw/zinc/76/64/99/805766499.db2.gz XIBDATQNYGNUPM-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001077685618 805766505 /nfs/dbraw/zinc/76/65/05/805766505.db2.gz XIBDATQNYGNUPM-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001077685618 805766510 /nfs/dbraw/zinc/76/65/10/805766510.db2.gz XIBDATQNYGNUPM-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001078205959 805857180 /nfs/dbraw/zinc/85/71/80/805857180.db2.gz KKJNPKFLTZUKKO-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@H]2O)C1 ZINC001078174129 805850992 /nfs/dbraw/zinc/85/09/92/805850992.db2.gz CBRCKVONMKBQGQ-MGPQQGTHSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CC3)C[C@H]2O)C1 ZINC001078174129 805850999 /nfs/dbraw/zinc/85/09/99/805850999.db2.gz CBRCKVONMKBQGQ-MGPQQGTHSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2O)C1 ZINC001078174129 805851005 /nfs/dbraw/zinc/85/10/05/805851005.db2.gz CBRCKVONMKBQGQ-MGPQQGTHSA-N 2 1 281.400 -0.101 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001078180112 805851746 /nfs/dbraw/zinc/85/17/46/805851746.db2.gz NCKBIJDKKAOPKC-MGPQQGTHSA-N 2 1 297.399 -0.720 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001078180112 805851756 /nfs/dbraw/zinc/85/17/56/805851756.db2.gz NCKBIJDKKAOPKC-MGPQQGTHSA-N 2 1 297.399 -0.720 20 0 CBADMP C[C@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179901 805852154 /nfs/dbraw/zinc/85/21/54/805852154.db2.gz COZQNCFERFWWTH-YNEHKIRRSA-N 2 1 287.379 -0.008 20 0 CBADMP C[C@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179901 805852160 /nfs/dbraw/zinc/85/21/60/805852160.db2.gz COZQNCFERFWWTH-YNEHKIRRSA-N 2 1 287.379 -0.008 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001078183431 805852678 /nfs/dbraw/zinc/85/26/78/805852678.db2.gz QCDAXNKPERDZCJ-CHWSQXEVSA-N 2 1 278.356 -0.237 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001078183431 805852689 /nfs/dbraw/zinc/85/26/89/805852689.db2.gz QCDAXNKPERDZCJ-CHWSQXEVSA-N 2 1 278.356 -0.237 20 0 CBADMP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182090 805853151 /nfs/dbraw/zinc/85/31/51/805853151.db2.gz FGPDMESDXQARMI-RAIGVLPGSA-N 2 1 296.371 -0.612 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182090 805853155 /nfs/dbraw/zinc/85/31/55/805853155.db2.gz FGPDMESDXQARMI-RAIGVLPGSA-N 2 1 296.371 -0.612 20 0 CBADMP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183307 805854238 /nfs/dbraw/zinc/85/42/38/805854238.db2.gz LFLOXDZOOWHPRU-CYZMBNFOSA-N 2 1 296.371 -0.612 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183307 805854248 /nfs/dbraw/zinc/85/42/48/805854248.db2.gz LFLOXDZOOWHPRU-CYZMBNFOSA-N 2 1 296.371 -0.612 20 0 CBADMP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001078205959 805857149 /nfs/dbraw/zinc/85/71/49/805857149.db2.gz KKJNPKFLTZUKKO-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001078205959 805857159 /nfs/dbraw/zinc/85/71/59/805857159.db2.gz KKJNPKFLTZUKKO-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001078205959 805857170 /nfs/dbraw/zinc/85/71/70/805857170.db2.gz KKJNPKFLTZUKKO-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001078367254 805874903 /nfs/dbraw/zinc/87/49/03/805874903.db2.gz HUDYAGCAAFFZBQ-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001078367254 805874913 /nfs/dbraw/zinc/87/49/13/805874913.db2.gz HUDYAGCAAFFZBQ-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001078367938 805875476 /nfs/dbraw/zinc/87/54/76/805875476.db2.gz WGOHQGHJRULTBP-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001078367938 805875486 /nfs/dbraw/zinc/87/54/86/805875486.db2.gz WGOHQGHJRULTBP-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079489856 805919946 /nfs/dbraw/zinc/91/99/46/805919946.db2.gz QOPSRNHJIILOIR-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001079489856 805919954 /nfs/dbraw/zinc/91/99/54/805919954.db2.gz QOPSRNHJIILOIR-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001079489856 805919959 /nfs/dbraw/zinc/91/99/59/805919959.db2.gz QOPSRNHJIILOIR-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cc(CN(C)C)on1 ZINC001080011707 805954842 /nfs/dbraw/zinc/95/48/42/805954842.db2.gz HHRLJBWNQHCJEE-ZWNOBZJWSA-N 2 1 296.371 -0.221 20 0 CBADMP C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1cc(CN(C)C)on1 ZINC001080011707 805954846 /nfs/dbraw/zinc/95/48/46/805954846.db2.gz HHRLJBWNQHCJEE-ZWNOBZJWSA-N 2 1 296.371 -0.221 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080442472 805982834 /nfs/dbraw/zinc/98/28/34/805982834.db2.gz AZSAMMMGXIDVSG-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001080442472 805982843 /nfs/dbraw/zinc/98/28/43/805982843.db2.gz AZSAMMMGXIDVSG-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001080442472 805982847 /nfs/dbraw/zinc/98/28/47/805982847.db2.gz AZSAMMMGXIDVSG-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080786208 806010750 /nfs/dbraw/zinc/01/07/50/806010750.db2.gz BEBGKFIXDLHPOC-CHWSQXEVSA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080787515 806010792 /nfs/dbraw/zinc/01/07/92/806010792.db2.gz DLKXMIJOIDZHHF-JHJVBQTASA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935463 806016762 /nfs/dbraw/zinc/01/67/62/806016762.db2.gz WECPVMXRXAOIFS-JHJVBQTASA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935463 806016769 /nfs/dbraw/zinc/01/67/69/806016769.db2.gz WECPVMXRXAOIFS-JHJVBQTASA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080935463 806016779 /nfs/dbraw/zinc/01/67/79/806016779.db2.gz WECPVMXRXAOIFS-JHJVBQTASA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935463 806016785 /nfs/dbraw/zinc/01/67/85/806016785.db2.gz WECPVMXRXAOIFS-JHJVBQTASA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080936364 806017726 /nfs/dbraw/zinc/01/77/26/806017726.db2.gz VDNNTHDDPKNJQY-FRRDWIJNSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080936364 806017735 /nfs/dbraw/zinc/01/77/35/806017735.db2.gz VDNNTHDDPKNJQY-FRRDWIJNSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080936364 806017746 /nfs/dbraw/zinc/01/77/46/806017746.db2.gz VDNNTHDDPKNJQY-FRRDWIJNSA-N 2 1 269.389 -0.243 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@H]2C)C1 ZINC001080977163 806019017 /nfs/dbraw/zinc/01/90/17/806019017.db2.gz YYOPNSCKGOCXKE-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@H]2C)C1 ZINC001080977163 806019026 /nfs/dbraw/zinc/01/90/26/806019026.db2.gz YYOPNSCKGOCXKE-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC)C[C@H]2C)C1 ZINC001080977163 806019036 /nfs/dbraw/zinc/01/90/36/806019036.db2.gz YYOPNSCKGOCXKE-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2C)C1 ZINC001080977163 806019044 /nfs/dbraw/zinc/01/90/44/806019044.db2.gz YYOPNSCKGOCXKE-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694309 806116440 /nfs/dbraw/zinc/11/64/40/806116440.db2.gz WBOKJEDVMCYGMY-AAVRWANBSA-N 2 1 299.415 -0.212 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694309 806116444 /nfs/dbraw/zinc/11/64/44/806116444.db2.gz WBOKJEDVMCYGMY-AAVRWANBSA-N 2 1 299.415 -0.212 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694309 806116446 /nfs/dbraw/zinc/11/64/46/806116446.db2.gz WBOKJEDVMCYGMY-AAVRWANBSA-N 2 1 299.415 -0.212 20 0 CBADMP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949437 806134209 /nfs/dbraw/zinc/13/42/09/806134209.db2.gz PCGXAORXSYLTIB-YNEHKIRRSA-N 2 1 296.371 -0.612 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949437 806134212 /nfs/dbraw/zinc/13/42/12/806134212.db2.gz PCGXAORXSYLTIB-YNEHKIRRSA-N 2 1 296.371 -0.612 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095854 806145338 /nfs/dbraw/zinc/14/53/38/806145338.db2.gz MAZNCIWEIVIGAK-MRVWCRGKSA-N 2 1 299.415 -0.476 20 0 CBADMP CO[C@@H]1CN(CCO)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001082133663 806147872 /nfs/dbraw/zinc/14/78/72/806147872.db2.gz LLKIPODHZYKHKQ-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082132642 806148882 /nfs/dbraw/zinc/14/88/82/806148882.db2.gz LODYCGIJXOMZEJ-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CO[C@@H]1CN(CCO)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001082132941 806149616 /nfs/dbraw/zinc/14/96/16/806149616.db2.gz YWYQNGRXHIEZQZ-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082132941 806149623 /nfs/dbraw/zinc/14/96/23/806149623.db2.gz YWYQNGRXHIEZQZ-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082132941 806149630 /nfs/dbraw/zinc/14/96/30/806149630.db2.gz YWYQNGRXHIEZQZ-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001082132941 806149638 /nfs/dbraw/zinc/14/96/38/806149638.db2.gz YWYQNGRXHIEZQZ-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082596338 806186427 /nfs/dbraw/zinc/18/64/27/806186427.db2.gz GNNLYKSKLYYNII-IJLUTSLNSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082741304 806192668 /nfs/dbraw/zinc/19/26/68/806192668.db2.gz WRCHTQJKZUXJDE-GRYCIOLGSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCO)C2)C1 ZINC001082742867 806192954 /nfs/dbraw/zinc/19/29/54/806192954.db2.gz VBAMWCRYOVCRSG-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21 ZINC001083023915 806213475 /nfs/dbraw/zinc/21/34/75/806213475.db2.gz UKQCAIAGUJOPEQ-MELADBBJSA-N 2 1 297.399 -0.625 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21 ZINC001083023915 806213483 /nfs/dbraw/zinc/21/34/83/806213483.db2.gz UKQCAIAGUJOPEQ-MELADBBJSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083023915 806213489 /nfs/dbraw/zinc/21/34/89/806213489.db2.gz UKQCAIAGUJOPEQ-MELADBBJSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083023915 806213496 /nfs/dbraw/zinc/21/34/96/806213496.db2.gz UKQCAIAGUJOPEQ-MELADBBJSA-N 2 1 297.399 -0.625 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001083192731 806236633 /nfs/dbraw/zinc/23/66/33/806236633.db2.gz MTSYPCRRWLWMSE-HZSPNIEDSA-N 2 1 297.399 -0.625 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001083192731 806236640 /nfs/dbraw/zinc/23/66/40/806236640.db2.gz MTSYPCRRWLWMSE-HZSPNIEDSA-N 2 1 297.399 -0.625 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083192731 806236643 /nfs/dbraw/zinc/23/66/43/806236643.db2.gz MTSYPCRRWLWMSE-HZSPNIEDSA-N 2 1 297.399 -0.625 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083192731 806236650 /nfs/dbraw/zinc/23/66/50/806236650.db2.gz MTSYPCRRWLWMSE-HZSPNIEDSA-N 2 1 297.399 -0.625 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455750 806331510 /nfs/dbraw/zinc/33/15/10/806331510.db2.gz RRNKYQPNCVTFBH-MCIONIFRSA-N 2 1 299.415 -0.333 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083455750 806331519 /nfs/dbraw/zinc/33/15/19/806331519.db2.gz RRNKYQPNCVTFBH-MCIONIFRSA-N 2 1 299.415 -0.333 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083455750 806331529 /nfs/dbraw/zinc/33/15/29/806331529.db2.gz RRNKYQPNCVTFBH-MCIONIFRSA-N 2 1 299.415 -0.333 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455750 806331502 /nfs/dbraw/zinc/33/15/02/806331502.db2.gz RRNKYQPNCVTFBH-MCIONIFRSA-N 2 1 299.415 -0.333 20 0 CBADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083462804 806334054 /nfs/dbraw/zinc/33/40/54/806334054.db2.gz AEBYMKLCQRCGDF-OLZOCXBDSA-N 2 1 299.415 -0.596 20 0 CBADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083462804 806334064 /nfs/dbraw/zinc/33/40/64/806334064.db2.gz AEBYMKLCQRCGDF-OLZOCXBDSA-N 2 1 299.415 -0.596 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470230 806336985 /nfs/dbraw/zinc/33/69/85/806336985.db2.gz GMTVSBKJPGUEHC-OLZOCXBDSA-N 2 1 295.387 -0.761 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC)C[C@@H]2O)CC[N@H+]1C ZINC001083474811 806338710 /nfs/dbraw/zinc/33/87/10/806338710.db2.gz BLVUNCFQRFAYDF-LOWDOPEQSA-N 2 1 269.389 -0.102 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC)C[C@@H]2O)CC[NH+]1C ZINC001083474811 806338719 /nfs/dbraw/zinc/33/87/19/806338719.db2.gz BLVUNCFQRFAYDF-LOWDOPEQSA-N 2 1 269.389 -0.102 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC)C[C@@H]2O)CC[NH+]1C ZINC001083474811 806338727 /nfs/dbraw/zinc/33/87/27/806338727.db2.gz BLVUNCFQRFAYDF-LOWDOPEQSA-N 2 1 269.389 -0.102 20 0 CBADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083506038 806346927 /nfs/dbraw/zinc/34/69/27/806346927.db2.gz NKFGKOPQCXPNQJ-AGIUHOORSA-N 2 1 285.388 -0.986 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083506038 806346936 /nfs/dbraw/zinc/34/69/36/806346936.db2.gz NKFGKOPQCXPNQJ-AGIUHOORSA-N 2 1 285.388 -0.986 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083506038 806346945 /nfs/dbraw/zinc/34/69/45/806346945.db2.gz NKFGKOPQCXPNQJ-AGIUHOORSA-N 2 1 285.388 -0.986 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083506038 806346954 /nfs/dbraw/zinc/34/69/54/806346954.db2.gz NKFGKOPQCXPNQJ-AGIUHOORSA-N 2 1 285.388 -0.986 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645004 806389358 /nfs/dbraw/zinc/38/93/58/806389358.db2.gz GINUQEYWDKJULC-MNOVXSKESA-N 2 1 252.318 -0.627 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645004 806389367 /nfs/dbraw/zinc/38/93/67/806389367.db2.gz GINUQEYWDKJULC-MNOVXSKESA-N 2 1 252.318 -0.627 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083644942 806391766 /nfs/dbraw/zinc/39/17/66/806391766.db2.gz CYNHOBQZFODSRC-UPJWGTAASA-N 2 1 296.371 -0.612 20 0 CBADMP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083644942 806391775 /nfs/dbraw/zinc/39/17/75/806391775.db2.gz CYNHOBQZFODSRC-UPJWGTAASA-N 2 1 296.371 -0.612 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723344 806413354 /nfs/dbraw/zinc/41/33/54/806413354.db2.gz GIBDMNSQJHUTOJ-AGIUHOORSA-N 2 1 285.388 -0.723 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723344 806413357 /nfs/dbraw/zinc/41/33/57/806413357.db2.gz GIBDMNSQJHUTOJ-AGIUHOORSA-N 2 1 285.388 -0.723 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723344 806413361 /nfs/dbraw/zinc/41/33/61/806413361.db2.gz GIBDMNSQJHUTOJ-AGIUHOORSA-N 2 1 285.388 -0.723 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723344 806413363 /nfs/dbraw/zinc/41/33/63/806413363.db2.gz GIBDMNSQJHUTOJ-AGIUHOORSA-N 2 1 285.388 -0.723 20 0 CBADMP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723470 806414753 /nfs/dbraw/zinc/41/47/53/806414753.db2.gz LRPKNIJSWUHLMS-HZSPNIEDSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723470 806414757 /nfs/dbraw/zinc/41/47/57/806414757.db2.gz LRPKNIJSWUHLMS-HZSPNIEDSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723470 806414760 /nfs/dbraw/zinc/41/47/60/806414760.db2.gz LRPKNIJSWUHLMS-HZSPNIEDSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723470 806414763 /nfs/dbraw/zinc/41/47/63/806414763.db2.gz LRPKNIJSWUHLMS-HZSPNIEDSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083719812 806414795 /nfs/dbraw/zinc/41/47/95/806414795.db2.gz XOCMOTYQGYFKDO-MCIONIFRSA-N 2 1 299.415 -0.738 20 0 CBADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001083719812 806414799 /nfs/dbraw/zinc/41/47/99/806414799.db2.gz XOCMOTYQGYFKDO-MCIONIFRSA-N 2 1 299.415 -0.738 20 0 CBADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001083719812 806414803 /nfs/dbraw/zinc/41/48/03/806414803.db2.gz XOCMOTYQGYFKDO-MCIONIFRSA-N 2 1 299.415 -0.738 20 0 CBADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001083908825 806460573 /nfs/dbraw/zinc/46/05/73/806460573.db2.gz YZIMPPMCVMBKAQ-KGLIPLIRSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957736 806470259 /nfs/dbraw/zinc/47/02/59/806470259.db2.gz NIVYKGSTEPOWMS-NEPJUHHUSA-N 2 1 267.373 -0.348 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056704 806480747 /nfs/dbraw/zinc/48/07/47/806480747.db2.gz KPIVKABHVBTLOZ-TUAOUCFPSA-N 2 1 255.362 -0.492 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084056704 806480749 /nfs/dbraw/zinc/48/07/49/806480749.db2.gz KPIVKABHVBTLOZ-TUAOUCFPSA-N 2 1 255.362 -0.492 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084056704 806480751 /nfs/dbraw/zinc/48/07/51/806480751.db2.gz KPIVKABHVBTLOZ-TUAOUCFPSA-N 2 1 255.362 -0.492 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001084053534 806482399 /nfs/dbraw/zinc/48/23/99/806482399.db2.gz BBMHUGMXOOJQBU-XQQFMLRXSA-N 2 1 267.373 -0.491 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)C1 ZINC001084053534 806482402 /nfs/dbraw/zinc/48/24/02/806482402.db2.gz BBMHUGMXOOJQBU-XQQFMLRXSA-N 2 1 267.373 -0.491 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)C1 ZINC001084053534 806482405 /nfs/dbraw/zinc/48/24/05/806482405.db2.gz BBMHUGMXOOJQBU-XQQFMLRXSA-N 2 1 267.373 -0.491 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059492 806483462 /nfs/dbraw/zinc/48/34/62/806483462.db2.gz LFLOXDZOOWHPRU-UHTWSYAYSA-N 2 1 296.371 -0.612 20 0 CBADMP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059492 806483467 /nfs/dbraw/zinc/48/34/67/806483467.db2.gz LFLOXDZOOWHPRU-UHTWSYAYSA-N 2 1 296.371 -0.612 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2O)C1 ZINC001084078887 806486304 /nfs/dbraw/zinc/48/63/04/806486304.db2.gz LWIDXHIADSWEHI-AGIUHOORSA-N 2 1 285.388 -0.723 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2O)C1 ZINC001084078887 806486307 /nfs/dbraw/zinc/48/63/07/806486307.db2.gz LWIDXHIADSWEHI-AGIUHOORSA-N 2 1 285.388 -0.723 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2O)C1 ZINC001084078887 806486309 /nfs/dbraw/zinc/48/63/09/806486309.db2.gz LWIDXHIADSWEHI-AGIUHOORSA-N 2 1 285.388 -0.723 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2O)C1 ZINC001084078887 806486310 /nfs/dbraw/zinc/48/63/10/806486310.db2.gz LWIDXHIADSWEHI-AGIUHOORSA-N 2 1 285.388 -0.723 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21 ZINC001084661425 806529388 /nfs/dbraw/zinc/52/93/88/806529388.db2.gz SVTKYETZULNCBE-MGPQQGTHSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084661425 806529392 /nfs/dbraw/zinc/52/93/92/806529392.db2.gz SVTKYETZULNCBE-MGPQQGTHSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084661425 806529398 /nfs/dbraw/zinc/52/93/98/806529398.db2.gz SVTKYETZULNCBE-MGPQQGTHSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084778037 806535907 /nfs/dbraw/zinc/53/59/07/806535907.db2.gz CASNHUCZPQBSAG-BFHYXJOUSA-N 2 1 293.411 -0.004 20 0 CBADMP C[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CN3CCCC3)[C@@H]2C1 ZINC001084831787 806539657 /nfs/dbraw/zinc/53/96/57/806539657.db2.gz ZMOYXEYWQKZULU-YNEHKIRRSA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCO)C1 ZINC001085422735 806555938 /nfs/dbraw/zinc/55/59/38/806555938.db2.gz DURZBPHEXWCWGS-YNEHKIRRSA-N 2 1 269.389 -0.053 20 0 CBADMP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@H]1CCC[NH+]1C ZINC001085519849 806571825 /nfs/dbraw/zinc/57/18/25/806571825.db2.gz ZAZANMJTLOJFTI-NWDGAFQWSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@H]1CCC[NH+]1C ZINC001085519849 806571837 /nfs/dbraw/zinc/57/18/37/806571837.db2.gz ZAZANMJTLOJFTI-NWDGAFQWSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001085519849 806571847 /nfs/dbraw/zinc/57/18/47/806571847.db2.gz ZAZANMJTLOJFTI-NWDGAFQWSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001085519849 806571854 /nfs/dbraw/zinc/57/18/54/806571854.db2.gz ZAZANMJTLOJFTI-NWDGAFQWSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085598209 806585184 /nfs/dbraw/zinc/58/51/84/806585184.db2.gz OYUZMADOMHIQPG-ZIAGYGMSSA-N 2 1 281.400 -0.147 20 0 CBADMP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@H]1CCCC[NH+]1C ZINC001085673464 806591351 /nfs/dbraw/zinc/59/13/51/806591351.db2.gz XZZQPZWZWRLJMD-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@H]1CCCC[NH+]1C ZINC001085673464 806591360 /nfs/dbraw/zinc/59/13/60/806591360.db2.gz XZZQPZWZWRLJMD-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001085673464 806591363 /nfs/dbraw/zinc/59/13/63/806591363.db2.gz XZZQPZWZWRLJMD-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCO)C(=O)[C@H]1CCCC[N@H+]1C ZINC001085673464 806591369 /nfs/dbraw/zinc/59/13/69/806591369.db2.gz XZZQPZWZWRLJMD-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCO)C(=O)C1CC[NH+](C)CC1 ZINC001085799400 806611140 /nfs/dbraw/zinc/61/11/40/806611140.db2.gz QHSCPKSZYAFKID-CYBMUJFWSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022976703 798872435 /nfs/dbraw/zinc/87/24/35/798872435.db2.gz FBXLEOUQAWQYKE-UTUOFQBUSA-N 2 1 255.362 -0.443 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023084811 798879921 /nfs/dbraw/zinc/87/99/21/798879921.db2.gz ZWGPICJHQJUIDR-SDDRHHMPSA-N 2 1 292.387 -0.496 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001023083887 798880601 /nfs/dbraw/zinc/88/06/01/798880601.db2.gz CGLUCNZFXSIBJV-ZRUFSTJUSA-N 2 1 268.361 -0.951 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1)C(N)=O ZINC001023093650 798881529 /nfs/dbraw/zinc/88/15/29/798881529.db2.gz KJIOWRJVIWRYHO-TUAOUCFPSA-N 2 1 293.371 -0.308 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001023091296 798882097 /nfs/dbraw/zinc/88/20/97/798882097.db2.gz TYPDOAVMPMRQCT-GRYCIOLGSA-N 2 1 291.355 -0.683 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCO)C1 ZINC001023275159 798897476 /nfs/dbraw/zinc/89/74/76/798897476.db2.gz HJBLTKPQEYEYSV-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001023275159 798897481 /nfs/dbraw/zinc/89/74/81/798897481.db2.gz HJBLTKPQEYEYSV-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001023275159 798897483 /nfs/dbraw/zinc/89/74/83/798897483.db2.gz HJBLTKPQEYEYSV-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023744098 798919375 /nfs/dbraw/zinc/91/93/75/798919375.db2.gz INKWJDCYODRQPL-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023744098 798919377 /nfs/dbraw/zinc/91/93/77/798919377.db2.gz INKWJDCYODRQPL-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023744098 798919382 /nfs/dbraw/zinc/91/93/82/798919382.db2.gz INKWJDCYODRQPL-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCCO)C1 ZINC001024376149 798934713 /nfs/dbraw/zinc/93/47/13/798934713.db2.gz ZLPSDPVUQIVJNS-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCCO)C1 ZINC001024376149 798934717 /nfs/dbraw/zinc/93/47/17/798934717.db2.gz ZLPSDPVUQIVJNS-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCCO)C1 ZINC001024376149 798934722 /nfs/dbraw/zinc/93/47/22/798934722.db2.gz ZLPSDPVUQIVJNS-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCCO)C1 ZINC001024376149 798934727 /nfs/dbraw/zinc/93/47/27/798934727.db2.gz ZLPSDPVUQIVJNS-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001025708150 798971082 /nfs/dbraw/zinc/97/10/82/798971082.db2.gz KSYIMZJCEMKJAQ-LBELIVKGSA-N 2 1 267.373 -0.492 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001025708150 798971085 /nfs/dbraw/zinc/97/10/85/798971085.db2.gz KSYIMZJCEMKJAQ-LBELIVKGSA-N 2 1 267.373 -0.492 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001025708150 798971089 /nfs/dbraw/zinc/97/10/89/798971089.db2.gz KSYIMZJCEMKJAQ-LBELIVKGSA-N 2 1 267.373 -0.492 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001025707989 798971200 /nfs/dbraw/zinc/97/12/00/798971200.db2.gz HDAHCSFMGKEUDG-PREPNJAASA-N 2 1 280.372 -0.999 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001025707989 798971204 /nfs/dbraw/zinc/97/12/04/798971204.db2.gz HDAHCSFMGKEUDG-PREPNJAASA-N 2 1 280.372 -0.999 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001025707989 798971208 /nfs/dbraw/zinc/97/12/08/798971208.db2.gz HDAHCSFMGKEUDG-PREPNJAASA-N 2 1 280.372 -0.999 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001025707989 798971210 /nfs/dbraw/zinc/97/12/10/798971210.db2.gz HDAHCSFMGKEUDG-PREPNJAASA-N 2 1 280.372 -0.999 20 0 CBADMP 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 798974707 /nfs/dbraw/zinc/97/47/07/798974707.db2.gz KUQQYRNMEUMMPU-BTFPBAQTSA-N 2 1 293.411 -0.101 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025781585 798974711 /nfs/dbraw/zinc/97/47/11/798974711.db2.gz KUQQYRNMEUMMPU-BTFPBAQTSA-N 2 1 293.411 -0.101 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025781585 798974715 /nfs/dbraw/zinc/97/47/15/798974715.db2.gz KUQQYRNMEUMMPU-BTFPBAQTSA-N 2 1 293.411 -0.101 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001025792912 798976678 /nfs/dbraw/zinc/97/66/78/798976678.db2.gz KHAPNOJXDLQPQI-PTEOKISQSA-N 2 1 294.399 -0.753 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001025792912 798976683 /nfs/dbraw/zinc/97/66/83/798976683.db2.gz KHAPNOJXDLQPQI-PTEOKISQSA-N 2 1 294.399 -0.753 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001025792912 798976687 /nfs/dbraw/zinc/97/66/87/798976687.db2.gz KHAPNOJXDLQPQI-PTEOKISQSA-N 2 1 294.399 -0.753 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001025792912 798976692 /nfs/dbraw/zinc/97/66/92/798976692.db2.gz KHAPNOJXDLQPQI-PTEOKISQSA-N 2 1 294.399 -0.753 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001025820386 798978869 /nfs/dbraw/zinc/97/88/69/798978869.db2.gz USFJTXULTKEBAN-LBELIVKGSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001025820386 798978875 /nfs/dbraw/zinc/97/88/75/798978875.db2.gz USFJTXULTKEBAN-LBELIVKGSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001025820386 798978879 /nfs/dbraw/zinc/97/88/79/798978879.db2.gz USFJTXULTKEBAN-LBELIVKGSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC001025820386 798978886 /nfs/dbraw/zinc/97/88/86/798978886.db2.gz USFJTXULTKEBAN-LBELIVKGSA-N 2 1 294.399 -0.609 20 0 CBADMP 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 798987917 /nfs/dbraw/zinc/98/79/17/798987917.db2.gz HPAVQEROUWGCCG-POQQGIQPSA-N 2 1 281.400 -0.387 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001026045549 798987919 /nfs/dbraw/zinc/98/79/19/798987919.db2.gz HPAVQEROUWGCCG-POQQGIQPSA-N 2 1 281.400 -0.387 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001026045549 798987923 /nfs/dbraw/zinc/98/79/23/798987923.db2.gz HPAVQEROUWGCCG-POQQGIQPSA-N 2 1 281.400 -0.387 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001026140347 798991745 /nfs/dbraw/zinc/99/17/45/798991745.db2.gz HWEXHSMRLWBCNX-SVPLCASGSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001026140347 798991747 /nfs/dbraw/zinc/99/17/47/798991747.db2.gz HWEXHSMRLWBCNX-SVPLCASGSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001026140347 798991751 /nfs/dbraw/zinc/99/17/51/798991751.db2.gz HWEXHSMRLWBCNX-SVPLCASGSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001026140347 798991761 /nfs/dbraw/zinc/99/17/61/798991761.db2.gz HWEXHSMRLWBCNX-SVPLCASGSA-N 2 1 294.399 -0.752 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC2CCC([NH2+]CCO)CC2)C1 ZINC001026470810 799004974 /nfs/dbraw/zinc/00/49/74/799004974.db2.gz QTSZTIQAEAXJIF-BPCQOVAHSA-N 2 1 285.388 -0.674 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC2CCC([NH2+]CCO)CC2)C1 ZINC001026470810 799004980 /nfs/dbraw/zinc/00/49/80/799004980.db2.gz QTSZTIQAEAXJIF-BPCQOVAHSA-N 2 1 285.388 -0.674 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026464654 799005704 /nfs/dbraw/zinc/00/57/04/799005704.db2.gz PFVBFNCUZHUBDL-HTAVTVPLSA-N 2 1 282.388 -0.417 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026515784 799006816 /nfs/dbraw/zinc/00/68/16/799006816.db2.gz JRIJJWNPTVMTGF-BPCQOVAHSA-N 2 1 296.415 -0.027 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027333839 799040082 /nfs/dbraw/zinc/04/00/82/799040082.db2.gz DDUUODAMEVUEGR-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001027333839 799040088 /nfs/dbraw/zinc/04/00/88/799040088.db2.gz DDUUODAMEVUEGR-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001027333839 799040093 /nfs/dbraw/zinc/04/00/93/799040093.db2.gz DDUUODAMEVUEGR-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027333836 799040470 /nfs/dbraw/zinc/04/04/70/799040470.db2.gz DDUUODAMEVUEGR-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001027333836 799040474 /nfs/dbraw/zinc/04/04/74/799040474.db2.gz DDUUODAMEVUEGR-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001027333836 799040478 /nfs/dbraw/zinc/04/04/78/799040478.db2.gz DDUUODAMEVUEGR-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027441196 799048224 /nfs/dbraw/zinc/04/82/24/799048224.db2.gz ANUYRPXMXHCZGW-ZDUSSCGKSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001027441196 799048229 /nfs/dbraw/zinc/04/82/29/799048229.db2.gz ANUYRPXMXHCZGW-ZDUSSCGKSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1)C1CCC1 ZINC001027441196 799048235 /nfs/dbraw/zinc/04/82/35/799048235.db2.gz ANUYRPXMXHCZGW-ZDUSSCGKSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1)C1CCC1 ZINC001027441196 799048240 /nfs/dbraw/zinc/04/82/40/799048240.db2.gz ANUYRPXMXHCZGW-ZDUSSCGKSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1)C1CC1 ZINC001027443783 799048331 /nfs/dbraw/zinc/04/83/31/799048331.db2.gz OBQJOCFBNLPGHG-JSGCOSHPSA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1)C1CC1 ZINC001027443783 799048334 /nfs/dbraw/zinc/04/83/34/799048334.db2.gz OBQJOCFBNLPGHG-JSGCOSHPSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001027562900 799058791 /nfs/dbraw/zinc/05/87/91/799058791.db2.gz YLFCMJZIFIYVLL-GXTWGEPZSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001027562900 799058798 /nfs/dbraw/zinc/05/87/98/799058798.db2.gz YLFCMJZIFIYVLL-GXTWGEPZSA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH+](C)CC(N)=O)C1 ZINC001027576832 799058823 /nfs/dbraw/zinc/05/88/23/799058823.db2.gz XTLYBOHTHCGPID-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH+](C)CC(N)=O)C1 ZINC001027576832 799058829 /nfs/dbraw/zinc/05/88/29/799058829.db2.gz XTLYBOHTHCGPID-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001027576832 799058835 /nfs/dbraw/zinc/05/88/35/799058835.db2.gz XTLYBOHTHCGPID-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001027576832 799058839 /nfs/dbraw/zinc/05/88/39/799058839.db2.gz XTLYBOHTHCGPID-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027650345 799062580 /nfs/dbraw/zinc/06/25/80/799062580.db2.gz FEUQXJBVNQBBJS-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027650345 799062586 /nfs/dbraw/zinc/06/25/86/799062586.db2.gz FEUQXJBVNQBBJS-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027650345 799062592 /nfs/dbraw/zinc/06/25/92/799062592.db2.gz FEUQXJBVNQBBJS-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027650345 799062598 /nfs/dbraw/zinc/06/25/98/799062598.db2.gz FEUQXJBVNQBBJS-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027884661 799094885 /nfs/dbraw/zinc/09/48/85/799094885.db2.gz NXRCVDOACDIUAF-STQMWFEESA-N 2 1 294.399 -0.606 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027884661 799094894 /nfs/dbraw/zinc/09/48/94/799094894.db2.gz NXRCVDOACDIUAF-STQMWFEESA-N 2 1 294.399 -0.606 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCO)C1 ZINC001028094405 799109487 /nfs/dbraw/zinc/10/94/87/799109487.db2.gz YWPYXWJJVABCCP-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCO)C1 ZINC001028094405 799109490 /nfs/dbraw/zinc/10/94/90/799109490.db2.gz YWPYXWJJVABCCP-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCO)C1 ZINC001028094405 799109494 /nfs/dbraw/zinc/10/94/94/799109494.db2.gz YWPYXWJJVABCCP-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC001028320569 799122578 /nfs/dbraw/zinc/12/25/78/799122578.db2.gz SOKWOFSEJCEBMB-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001028320569 799122583 /nfs/dbraw/zinc/12/25/83/799122583.db2.gz SOKWOFSEJCEBMB-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC001028320569 799122586 /nfs/dbraw/zinc/12/25/86/799122586.db2.gz SOKWOFSEJCEBMB-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001028318642 799123083 /nfs/dbraw/zinc/12/30/83/799123083.db2.gz BATJQNGOLJGEMI-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCO)C1 ZINC001028318642 799123085 /nfs/dbraw/zinc/12/30/85/799123085.db2.gz BATJQNGOLJGEMI-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001028318638 799123319 /nfs/dbraw/zinc/12/33/19/799123319.db2.gz BATJQNGOLJGEMI-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCO)C1 ZINC001028318638 799123321 /nfs/dbraw/zinc/12/33/21/799123321.db2.gz BATJQNGOLJGEMI-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2CC(N)=O)C1 ZINC001028315312 799123623 /nfs/dbraw/zinc/12/36/23/799123623.db2.gz HUBACRZHOZSERX-WDEREUQCSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(N)=O)C1 ZINC001028315312 799123628 /nfs/dbraw/zinc/12/36/28/799123628.db2.gz HUBACRZHOZSERX-WDEREUQCSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(N)=O)C1 ZINC001028315312 799123630 /nfs/dbraw/zinc/12/36/30/799123630.db2.gz HUBACRZHOZSERX-WDEREUQCSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001028315312 799123634 /nfs/dbraw/zinc/12/36/34/799123634.db2.gz HUBACRZHOZSERX-WDEREUQCSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001028315312 799123636 /nfs/dbraw/zinc/12/36/36/799123636.db2.gz HUBACRZHOZSERX-WDEREUQCSA-N 2 1 268.361 -0.996 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447096 799137352 /nfs/dbraw/zinc/13/73/52/799137352.db2.gz LUZANUXQKWEVOE-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001028447096 799137360 /nfs/dbraw/zinc/13/73/60/799137360.db2.gz LUZANUXQKWEVOE-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001028447096 799137364 /nfs/dbraw/zinc/13/73/64/799137364.db2.gz LUZANUXQKWEVOE-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCO)C1 ZINC001028445916 799138104 /nfs/dbraw/zinc/13/81/04/799138104.db2.gz XHUAOPZIERXUDQ-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001028445916 799138105 /nfs/dbraw/zinc/13/81/05/799138105.db2.gz XHUAOPZIERXUDQ-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001028445916 799138108 /nfs/dbraw/zinc/13/81/08/799138108.db2.gz XHUAOPZIERXUDQ-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP COCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629217 799156676 /nfs/dbraw/zinc/15/66/76/799156676.db2.gz HKYFABXYTBUAJD-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629217 799156680 /nfs/dbraw/zinc/15/66/80/799156680.db2.gz HKYFABXYTBUAJD-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629217 799156681 /nfs/dbraw/zinc/15/66/81/799156681.db2.gz HKYFABXYTBUAJD-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629217 799156685 /nfs/dbraw/zinc/15/66/85/799156685.db2.gz HKYFABXYTBUAJD-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](CCCO)C2)C1 ZINC001028982437 799184426 /nfs/dbraw/zinc/18/44/26/799184426.db2.gz KWYAFCDYMGTZSD-CHWSQXEVSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001028982437 799184428 /nfs/dbraw/zinc/18/44/28/799184428.db2.gz KWYAFCDYMGTZSD-CHWSQXEVSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001028982437 799184429 /nfs/dbraw/zinc/18/44/29/799184429.db2.gz KWYAFCDYMGTZSD-CHWSQXEVSA-N 2 1 269.389 -0.241 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)C1 ZINC001028996295 799185962 /nfs/dbraw/zinc/18/59/62/799185962.db2.gz DCWLXVXFZYOILF-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)C1 ZINC001028996295 799185964 /nfs/dbraw/zinc/18/59/64/799185964.db2.gz DCWLXVXFZYOILF-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](CCO)C2)C1 ZINC001028996295 799185968 /nfs/dbraw/zinc/18/59/68/799185968.db2.gz DCWLXVXFZYOILF-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001028996295 799185971 /nfs/dbraw/zinc/18/59/71/799185971.db2.gz DCWLXVXFZYOILF-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001029004203 799186291 /nfs/dbraw/zinc/18/62/91/799186291.db2.gz UTGRDBIPKMZQBV-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001029004203 799186293 /nfs/dbraw/zinc/18/62/93/799186293.db2.gz UTGRDBIPKMZQBV-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001029004203 799186296 /nfs/dbraw/zinc/18/62/96/799186296.db2.gz UTGRDBIPKMZQBV-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029585617 799202644 /nfs/dbraw/zinc/20/26/44/799202644.db2.gz OSXDEZXZXOITKF-BETUJISGSA-N 2 1 278.356 -0.141 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029585617 799202652 /nfs/dbraw/zinc/20/26/52/799202652.db2.gz OSXDEZXZXOITKF-BETUJISGSA-N 2 1 278.356 -0.141 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029584497 799203138 /nfs/dbraw/zinc/20/31/38/799203138.db2.gz WIRWKTOEBWMWCM-RWMBFGLXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001029584497 799203141 /nfs/dbraw/zinc/20/31/41/799203141.db2.gz WIRWKTOEBWMWCM-RWMBFGLXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001029584497 799203143 /nfs/dbraw/zinc/20/31/43/799203143.db2.gz WIRWKTOEBWMWCM-RWMBFGLXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001030161040 799251351 /nfs/dbraw/zinc/25/13/51/799251351.db2.gz IZTXEAZWLUZEOT-DGCLKSJQSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001030161040 799251354 /nfs/dbraw/zinc/25/13/54/799251354.db2.gz IZTXEAZWLUZEOT-DGCLKSJQSA-N 2 1 267.373 -0.083 20 0 CBADMP O=C(C[NH+]1CCCC1)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001031390446 799483678 /nfs/dbraw/zinc/48/36/78/799483678.db2.gz MZQACEKBSHKAKB-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001031585298 799513332 /nfs/dbraw/zinc/51/33/32/799513332.db2.gz VRDLWFMRRHUZLV-STQMWFEESA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001031585298 799513335 /nfs/dbraw/zinc/51/33/35/799513335.db2.gz VRDLWFMRRHUZLV-STQMWFEESA-N 2 1 294.399 -0.593 20 0 CBADMP COC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031596884 799516584 /nfs/dbraw/zinc/51/65/84/799516584.db2.gz RHOCZQHIUOXZKR-DGCLKSJQSA-N 2 1 285.388 -0.600 20 0 CBADMP COC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031596884 799516587 /nfs/dbraw/zinc/51/65/87/799516587.db2.gz RHOCZQHIUOXZKR-DGCLKSJQSA-N 2 1 285.388 -0.600 20 0 CBADMP COC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031596886 799516844 /nfs/dbraw/zinc/51/68/44/799516844.db2.gz RHOCZQHIUOXZKR-YPMHNXCESA-N 2 1 285.388 -0.600 20 0 CBADMP COC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031596886 799516849 /nfs/dbraw/zinc/51/68/49/799516849.db2.gz RHOCZQHIUOXZKR-YPMHNXCESA-N 2 1 285.388 -0.600 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681385 799531950 /nfs/dbraw/zinc/53/19/50/799531950.db2.gz PEXLISQTFLIKTG-RTXFEEFZSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681385 799531953 /nfs/dbraw/zinc/53/19/53/799531953.db2.gz PEXLISQTFLIKTG-RTXFEEFZSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856876 799552100 /nfs/dbraw/zinc/55/21/00/799552100.db2.gz LADFTCXEXFRXEP-QRJNDHJOSA-N 2 1 279.384 -0.083 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031920920 799562987 /nfs/dbraw/zinc/56/29/87/799562987.db2.gz CWRAHVGUHFFNRR-CQSZACIVSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031920919 799563154 /nfs/dbraw/zinc/56/31/54/799563154.db2.gz CWRAHVGUHFFNRR-AWEZNQCLSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031948440 799565144 /nfs/dbraw/zinc/56/51/44/799565144.db2.gz ACHFNEKUWWUXFF-ZDUSSCGKSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032185695 799590178 /nfs/dbraw/zinc/59/01/78/799590178.db2.gz BGTBZBAKADCDAW-AAEUAGOBSA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032185695 799590183 /nfs/dbraw/zinc/59/01/83/799590183.db2.gz BGTBZBAKADCDAW-AAEUAGOBSA-N 2 1 296.415 -0.537 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186133 799590233 /nfs/dbraw/zinc/59/02/33/799590233.db2.gz JBVINZHONINSRU-CMPLNLGQSA-N 2 1 282.388 -0.879 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186133 799590237 /nfs/dbraw/zinc/59/02/37/799590237.db2.gz JBVINZHONINSRU-CMPLNLGQSA-N 2 1 282.388 -0.879 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CCn3cncn3)C2)C1 ZINC001032185844 799590830 /nfs/dbraw/zinc/59/08/30/799590830.db2.gz DEWVCCHYUMZSNG-ZDUSSCGKSA-N 2 1 292.387 -0.722 20 0 CBADMP C[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186026 799590928 /nfs/dbraw/zinc/59/09/28/799590928.db2.gz GLQXCKKAIBONRT-JQWIXIFHSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032185700 799591079 /nfs/dbraw/zinc/59/10/79/799591079.db2.gz BGTBZBAKADCDAW-WCQYABFASA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032185700 799591080 /nfs/dbraw/zinc/59/10/80/799591080.db2.gz BGTBZBAKADCDAW-WCQYABFASA-N 2 1 296.415 -0.537 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@H](C)OC)C2)C1 ZINC001032199781 799593118 /nfs/dbraw/zinc/59/31/18/799593118.db2.gz AABJICQFHXKTKF-JSGCOSHPSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@H](C)OC)C2)C1 ZINC001032199781 799593125 /nfs/dbraw/zinc/59/31/25/799593125.db2.gz AABJICQFHXKTKF-JSGCOSHPSA-N 2 1 299.415 -0.210 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032628262 799651582 /nfs/dbraw/zinc/65/15/82/799651582.db2.gz VGHFAOYJOPPGCZ-AVGNSLFASA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032628262 799651585 /nfs/dbraw/zinc/65/15/85/799651585.db2.gz VGHFAOYJOPPGCZ-AVGNSLFASA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)C1 ZINC001032628262 799651588 /nfs/dbraw/zinc/65/15/88/799651588.db2.gz VGHFAOYJOPPGCZ-AVGNSLFASA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)C1 ZINC001032628262 799651590 /nfs/dbraw/zinc/65/15/90/799651590.db2.gz VGHFAOYJOPPGCZ-AVGNSLFASA-N 2 1 267.373 -0.394 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032732237 799661891 /nfs/dbraw/zinc/66/18/91/799661891.db2.gz ZEFNXDVMDMOFDR-AGIUHOORSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)C1 ZINC001032732237 799661894 /nfs/dbraw/zinc/66/18/94/799661894.db2.gz ZEFNXDVMDMOFDR-AGIUHOORSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)C1 ZINC001032732237 799661896 /nfs/dbraw/zinc/66/18/96/799661896.db2.gz ZEFNXDVMDMOFDR-AGIUHOORSA-N 2 1 267.373 -0.394 20 0 CBADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032783240 799668200 /nfs/dbraw/zinc/66/82/00/799668200.db2.gz WSCKGRJAGUYQCZ-RYUDHWBXSA-N 2 1 253.346 -0.640 20 0 CBADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032783240 799668203 /nfs/dbraw/zinc/66/82/03/799668203.db2.gz WSCKGRJAGUYQCZ-RYUDHWBXSA-N 2 1 253.346 -0.640 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032783635 799668511 /nfs/dbraw/zinc/66/85/11/799668511.db2.gz KANMFUPGSXMXCE-AGIUHOORSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032783635 799668515 /nfs/dbraw/zinc/66/85/15/799668515.db2.gz KANMFUPGSXMXCE-AGIUHOORSA-N 2 1 267.373 -0.252 20 0 CBADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033199577 799723950 /nfs/dbraw/zinc/72/39/50/799723950.db2.gz VRLXLEBTMPUILD-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CCO)C1 ZINC001033199577 799723951 /nfs/dbraw/zinc/72/39/51/799723951.db2.gz VRLXLEBTMPUILD-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CCO)C1 ZINC001033199577 799723954 /nfs/dbraw/zinc/72/39/54/799723954.db2.gz VRLXLEBTMPUILD-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033184861 799724219 /nfs/dbraw/zinc/72/42/19/799724219.db2.gz LDYQJDJGFYXBNE-MGPQQGTHSA-N 2 1 299.415 -0.115 20 0 CBADMP COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033184861 799724225 /nfs/dbraw/zinc/72/42/25/799724225.db2.gz LDYQJDJGFYXBNE-MGPQQGTHSA-N 2 1 299.415 -0.115 20 0 CBADMP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033184861 799724228 /nfs/dbraw/zinc/72/42/28/799724228.db2.gz LDYQJDJGFYXBNE-MGPQQGTHSA-N 2 1 299.415 -0.115 20 0 CBADMP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033184861 799724235 /nfs/dbraw/zinc/72/42/35/799724235.db2.gz LDYQJDJGFYXBNE-MGPQQGTHSA-N 2 1 299.415 -0.115 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](CCO)C1 ZINC001033266758 799734359 /nfs/dbraw/zinc/73/43/59/799734359.db2.gz RIPYWVJTUTXTTM-LBPRGKRZSA-N 2 1 266.345 -0.283 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001033266758 799734363 /nfs/dbraw/zinc/73/43/63/799734363.db2.gz RIPYWVJTUTXTTM-LBPRGKRZSA-N 2 1 266.345 -0.283 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](CCO)C2)C1 ZINC001033416333 799753082 /nfs/dbraw/zinc/75/30/82/799753082.db2.gz OZEBGCQVXYOYFV-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CCO)C2)C1 ZINC001033416333 799753084 /nfs/dbraw/zinc/75/30/84/799753084.db2.gz OZEBGCQVXYOYFV-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001033416333 799753088 /nfs/dbraw/zinc/75/30/88/799753088.db2.gz OZEBGCQVXYOYFV-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](CCO)C1 ZINC001033421670 799753119 /nfs/dbraw/zinc/75/31/19/799753119.db2.gz DJYPTKQPXZRKJI-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](CCO)C1 ZINC001033421670 799753125 /nfs/dbraw/zinc/75/31/25/799753125.db2.gz DJYPTKQPXZRKJI-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001033421670 799753129 /nfs/dbraw/zinc/75/31/29/799753129.db2.gz DJYPTKQPXZRKJI-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657907 799775903 /nfs/dbraw/zinc/77/59/03/799775903.db2.gz OIGOLZCJRSFRQH-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033663165 799777190 /nfs/dbraw/zinc/77/71/90/799777190.db2.gz UNGUNFMIBJSGNH-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCO)C1 ZINC001033663165 799777194 /nfs/dbraw/zinc/77/71/94/799777194.db2.gz UNGUNFMIBJSGNH-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCO)C1 ZINC001033663165 799777200 /nfs/dbraw/zinc/77/72/00/799777200.db2.gz UNGUNFMIBJSGNH-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664014 799778068 /nfs/dbraw/zinc/77/80/68/799778068.db2.gz BGXQFPSSJBKOAZ-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664014 799778073 /nfs/dbraw/zinc/77/80/73/799778073.db2.gz BGXQFPSSJBKOAZ-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033660061 799778561 /nfs/dbraw/zinc/77/85/61/799778561.db2.gz HCQDLXUZGJEKII-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033660061 799778564 /nfs/dbraw/zinc/77/85/64/799778564.db2.gz HCQDLXUZGJEKII-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033660061 799778567 /nfs/dbraw/zinc/77/85/67/799778567.db2.gz HCQDLXUZGJEKII-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCO)C2)C1 ZINC001033673263 799780364 /nfs/dbraw/zinc/78/03/64/799780364.db2.gz WRLQXBPFTWKEBG-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCO)C2)C1 ZINC001033673263 799780368 /nfs/dbraw/zinc/78/03/68/799780368.db2.gz WRLQXBPFTWKEBG-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001033673263 799780372 /nfs/dbraw/zinc/78/03/72/799780372.db2.gz WRLQXBPFTWKEBG-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001033673263 799780375 /nfs/dbraw/zinc/78/03/75/799780375.db2.gz WRLQXBPFTWKEBG-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001034040935 799808347 /nfs/dbraw/zinc/80/83/47/799808347.db2.gz ZZRPYVGNHBZLTL-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001034040935 799808348 /nfs/dbraw/zinc/80/83/48/799808348.db2.gz ZZRPYVGNHBZLTL-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001034040935 799808356 /nfs/dbraw/zinc/80/83/56/799808356.db2.gz ZZRPYVGNHBZLTL-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001034040935 799808364 /nfs/dbraw/zinc/80/83/64/799808364.db2.gz ZZRPYVGNHBZLTL-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CCO)C1 ZINC001034014823 799808380 /nfs/dbraw/zinc/80/83/80/799808380.db2.gz DRPRWWRVNXOEHD-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@@H]1CC[N@H+](CCO)C1 ZINC001034047313 799810883 /nfs/dbraw/zinc/81/08/83/799810883.db2.gz GCSOACAOWDOSGP-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001034047313 799810889 /nfs/dbraw/zinc/81/08/89/799810889.db2.gz GCSOACAOWDOSGP-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@@H]1CC[NH+](CCO)C1 ZINC001034047313 799810892 /nfs/dbraw/zinc/81/08/92/799810892.db2.gz GCSOACAOWDOSGP-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@@H]1CC[NH+](CCO)C1 ZINC001034047313 799810897 /nfs/dbraw/zinc/81/08/97/799810897.db2.gz GCSOACAOWDOSGP-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001034606928 799848697 /nfs/dbraw/zinc/84/86/97/799848697.db2.gz IBCUXNKNAJUYAF-ZDEQEGDKSA-N 2 1 296.415 -0.029 20 0 CBADMP CN1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC3CC3)CCO2)C1 ZINC001035325842 799891281 /nfs/dbraw/zinc/89/12/81/799891281.db2.gz DCAQCQXFVQNNMN-ZIAGYGMSSA-N 2 1 297.399 -0.456 20 0 CBADMP CN1CCO[C@@H](C(=O)NC[C@@H]2CN(CC3CC3)CCO2)C1 ZINC001035325842 799891286 /nfs/dbraw/zinc/89/12/86/799891286.db2.gz DCAQCQXFVQNNMN-ZIAGYGMSSA-N 2 1 297.399 -0.456 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035579493 799948583 /nfs/dbraw/zinc/94/85/83/799948583.db2.gz JWKVNAKRIZHSLZ-CHWSQXEVSA-N 2 1 297.399 -0.720 20 0 CBADMP C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035579493 799948590 /nfs/dbraw/zinc/94/85/90/799948590.db2.gz JWKVNAKRIZHSLZ-CHWSQXEVSA-N 2 1 297.399 -0.720 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1[NH2+]CCO ZINC001036219325 799984247 /nfs/dbraw/zinc/98/42/47/799984247.db2.gz PSSFHCIBLIXXKV-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036895652 800011488 /nfs/dbraw/zinc/01/14/88/800011488.db2.gz BQTITVNNEZFWHK-KGLIPLIRSA-N 2 1 281.400 -0.003 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCO ZINC001038120188 800057453 /nfs/dbraw/zinc/05/74/53/800057453.db2.gz ZKJHBPYPIVYYRU-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCO ZINC001038120188 800057461 /nfs/dbraw/zinc/05/74/61/800057461.db2.gz ZKJHBPYPIVYYRU-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001038120188 800057470 /nfs/dbraw/zinc/05/74/70/800057470.db2.gz ZKJHBPYPIVYYRU-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001038120188 800057475 /nfs/dbraw/zinc/05/74/75/800057475.db2.gz ZKJHBPYPIVYYRU-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP CN1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCCF)C1 ZINC001038137284 800061247 /nfs/dbraw/zinc/06/12/47/800061247.db2.gz OWSYURIPZACLPH-VXGBXAGGSA-N 2 1 273.352 -0.133 20 0 CBADMP CN1CCO[C@@H](C(=O)NC[C@H]2CCN2CCCF)C1 ZINC001038137284 800061256 /nfs/dbraw/zinc/06/12/56/800061256.db2.gz OWSYURIPZACLPH-VXGBXAGGSA-N 2 1 273.352 -0.133 20 0 CBADMP O=C(NC[C@H]1CC[N@H+]1CCO)[C@H]1C[NH+]2CCC1CC2 ZINC001038260997 800088789 /nfs/dbraw/zinc/08/87/89/800088789.db2.gz IPYPJKGSLRQZOH-OLZOCXBDSA-N 2 1 267.373 -0.489 20 0 CBADMP O=C(NC[C@H]1CC[N@@H+]1CCO)[C@H]1C[NH+]2CCC1CC2 ZINC001038260997 800088798 /nfs/dbraw/zinc/08/87/98/800088798.db2.gz IPYPJKGSLRQZOH-OLZOCXBDSA-N 2 1 267.373 -0.489 20 0 CBADMP O=C(NC[C@H]1CC[N@H+]1CCO)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038539210 800126511 /nfs/dbraw/zinc/12/65/11/800126511.db2.gz ZWSDPUJOPHQTFB-DNCHLWJUSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(NC[C@H]1CC[N@@H+]1CCO)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038539210 800126515 /nfs/dbraw/zinc/12/65/15/800126515.db2.gz ZWSDPUJOPHQTFB-DNCHLWJUSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(NC[C@H]1CC[NH+]1CCO)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038539210 800126518 /nfs/dbraw/zinc/12/65/18/800126518.db2.gz ZWSDPUJOPHQTFB-DNCHLWJUSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(NC[C@H]1CC[NH+]1CCO)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038539210 800126521 /nfs/dbraw/zinc/12/65/21/800126521.db2.gz ZWSDPUJOPHQTFB-DNCHLWJUSA-N 2 1 295.383 -0.968 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038664403 801234591 /nfs/dbraw/zinc/23/45/91/801234591.db2.gz UWNAALADZIMBTB-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](CCO)C2)C1 ZINC001041142116 801369690 /nfs/dbraw/zinc/36/96/90/801369690.db2.gz UCYQJTSHUDPRFW-UKRRQHHQSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041142116 801369693 /nfs/dbraw/zinc/36/96/93/801369693.db2.gz UCYQJTSHUDPRFW-UKRRQHHQSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041142116 801369700 /nfs/dbraw/zinc/36/97/00/801369700.db2.gz UCYQJTSHUDPRFW-UKRRQHHQSA-N 2 1 281.400 -0.003 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1)[NH+](C)C ZINC001041691632 801414520 /nfs/dbraw/zinc/41/45/20/801414520.db2.gz FNBPWKGCHPOEPS-SWLSCSKDSA-N 2 1 296.415 -0.264 20 0 CBADMP NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042358498 801458619 /nfs/dbraw/zinc/45/86/19/801458619.db2.gz RVQJDBAMBUFLOV-CHWSQXEVSA-N 2 1 294.399 -0.510 20 0 CBADMP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001042731701 801514433 /nfs/dbraw/zinc/51/44/33/801514433.db2.gz QJCLVORTFNKHDY-FZMZJTMJSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001043740786 801589567 /nfs/dbraw/zinc/58/95/67/801589567.db2.gz KCCPQLCZHZUJPB-LLVKDONJSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCCO)C1 ZINC001044186473 801628051 /nfs/dbraw/zinc/62/80/51/801628051.db2.gz PGDPBWXUVYHYCE-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCCO)C1 ZINC001044186473 801628055 /nfs/dbraw/zinc/62/80/55/801628055.db2.gz PGDPBWXUVYHYCE-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044629686 801660851 /nfs/dbraw/zinc/66/08/51/801660851.db2.gz ONYPWUDOSUYZFF-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001045741244 801710905 /nfs/dbraw/zinc/71/09/05/801710905.db2.gz BWMPGRKWLBOFRF-RDBSUJKOSA-N 2 1 297.399 -0.625 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001045741244 801710909 /nfs/dbraw/zinc/71/09/09/801710909.db2.gz BWMPGRKWLBOFRF-RDBSUJKOSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001045741244 801710912 /nfs/dbraw/zinc/71/09/12/801710912.db2.gz BWMPGRKWLBOFRF-RDBSUJKOSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001045741244 801710915 /nfs/dbraw/zinc/71/09/15/801710915.db2.gz BWMPGRKWLBOFRF-RDBSUJKOSA-N 2 1 297.399 -0.625 20 0 CBADMP C[C@@]1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+](CCO)C1 ZINC001046317043 801753889 /nfs/dbraw/zinc/75/38/89/801753889.db2.gz DSMPDBBVEWFALZ-UKRRQHHQSA-N 2 1 281.400 -0.099 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046595928 801779950 /nfs/dbraw/zinc/77/99/50/801779950.db2.gz QABVCZZMEBFZOT-OAHLLOKOSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046595928 801779955 /nfs/dbraw/zinc/77/99/55/801779955.db2.gz QABVCZZMEBFZOT-OAHLLOKOSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046830945 801794744 /nfs/dbraw/zinc/79/47/44/801794744.db2.gz CCXQKSCMKPPLCD-IUODEOHRSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046830945 801794749 /nfs/dbraw/zinc/79/47/49/801794749.db2.gz CCXQKSCMKPPLCD-IUODEOHRSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046830945 801794753 /nfs/dbraw/zinc/79/47/53/801794753.db2.gz CCXQKSCMKPPLCD-IUODEOHRSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046830945 801794758 /nfs/dbraw/zinc/79/47/58/801794758.db2.gz CCXQKSCMKPPLCD-IUODEOHRSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)C1 ZINC001046838125 801794776 /nfs/dbraw/zinc/79/47/76/801794776.db2.gz FITKYEZFIWRJBD-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCO)C2)C1 ZINC001046838125 801794783 /nfs/dbraw/zinc/79/47/83/801794783.db2.gz FITKYEZFIWRJBD-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)C1 ZINC001046838125 801794786 /nfs/dbraw/zinc/79/47/86/801794786.db2.gz FITKYEZFIWRJBD-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046831057 801796502 /nfs/dbraw/zinc/79/65/02/801796502.db2.gz FDKUUCQMFBEXRK-BXUZGUMPSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046831057 801796508 /nfs/dbraw/zinc/79/65/08/801796508.db2.gz FDKUUCQMFBEXRK-BXUZGUMPSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046831057 801796513 /nfs/dbraw/zinc/79/65/13/801796513.db2.gz FDKUUCQMFBEXRK-BXUZGUMPSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046831057 801796520 /nfs/dbraw/zinc/79/65/20/801796520.db2.gz FDKUUCQMFBEXRK-BXUZGUMPSA-N 2 1 282.388 -0.735 20 0 CBADMP CC(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047334076 801839210 /nfs/dbraw/zinc/83/92/10/801839210.db2.gz WYMFTEUQMAAQTP-MELADBBJSA-N 2 1 299.415 -0.524 20 0 CBADMP CC(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047334076 801839216 /nfs/dbraw/zinc/83/92/16/801839216.db2.gz WYMFTEUQMAAQTP-MELADBBJSA-N 2 1 299.415 -0.524 20 0 CBADMP CC(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001047334076 801839225 /nfs/dbraw/zinc/83/92/25/801839225.db2.gz WYMFTEUQMAAQTP-MELADBBJSA-N 2 1 299.415 -0.524 20 0 CBADMP CC(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001047334076 801839230 /nfs/dbraw/zinc/83/92/30/801839230.db2.gz WYMFTEUQMAAQTP-MELADBBJSA-N 2 1 299.415 -0.524 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047380158 801859849 /nfs/dbraw/zinc/85/98/49/801859849.db2.gz DFWCWRJYJRHJRM-RDBSUJKOSA-N 2 1 299.415 -0.645 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047380158 801859859 /nfs/dbraw/zinc/85/98/59/801859859.db2.gz DFWCWRJYJRHJRM-RDBSUJKOSA-N 2 1 299.415 -0.645 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047380158 801859866 /nfs/dbraw/zinc/85/98/66/801859866.db2.gz DFWCWRJYJRHJRM-RDBSUJKOSA-N 2 1 299.415 -0.645 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047380158 801859875 /nfs/dbraw/zinc/85/98/75/801859875.db2.gz DFWCWRJYJRHJRM-RDBSUJKOSA-N 2 1 299.415 -0.645 20 0 CBADMP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047624862 801910366 /nfs/dbraw/zinc/91/03/66/801910366.db2.gz RFBKSZDMESUPJC-STQMWFEESA-N 2 1 296.371 -0.659 20 0 CBADMP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047624862 801910373 /nfs/dbraw/zinc/91/03/73/801910373.db2.gz RFBKSZDMESUPJC-STQMWFEESA-N 2 1 296.371 -0.659 20 0 CBADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047638330 801914433 /nfs/dbraw/zinc/91/44/33/801914433.db2.gz NHWIWTUAWUZYNU-RDBSUJKOSA-N 2 1 299.415 -0.643 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047638330 801914440 /nfs/dbraw/zinc/91/44/40/801914440.db2.gz NHWIWTUAWUZYNU-RDBSUJKOSA-N 2 1 299.415 -0.643 20 0 CBADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047638330 801914449 /nfs/dbraw/zinc/91/44/49/801914449.db2.gz NHWIWTUAWUZYNU-RDBSUJKOSA-N 2 1 299.415 -0.643 20 0 CBADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047638330 801914456 /nfs/dbraw/zinc/91/44/56/801914456.db2.gz NHWIWTUAWUZYNU-RDBSUJKOSA-N 2 1 299.415 -0.643 20 0 CBADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047627910 801914978 /nfs/dbraw/zinc/91/49/78/801914978.db2.gz ZOLNKDQCBFMJNE-STQMWFEESA-N 2 1 287.379 -0.055 20 0 CBADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047627680 801915299 /nfs/dbraw/zinc/91/52/99/801915299.db2.gz TZLLPRRCZPHQEN-AVGNSLFASA-N 2 1 287.379 -0.199 20 0 CBADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CCCF)C[C@@H]1O ZINC001047627680 801915305 /nfs/dbraw/zinc/91/53/05/801915305.db2.gz TZLLPRRCZPHQEN-AVGNSLFASA-N 2 1 287.379 -0.199 20 0 CBADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CCCF)C[C@@H]1O ZINC001047627680 801915310 /nfs/dbraw/zinc/91/53/10/801915310.db2.gz TZLLPRRCZPHQEN-AVGNSLFASA-N 2 1 287.379 -0.199 20 0 CBADMP 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 801995617 /nfs/dbraw/zinc/99/56/17/801995617.db2.gz DCQWYVJSIULOKQ-NDBYEHHHSA-N 2 1 296.415 -0.409 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213881 802008222 /nfs/dbraw/zinc/00/82/22/802008222.db2.gz XEZPEJZDUUCASO-RFQIPJPRSA-N 2 1 281.400 -0.291 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049213881 802008229 /nfs/dbraw/zinc/00/82/29/802008229.db2.gz XEZPEJZDUUCASO-RFQIPJPRSA-N 2 1 281.400 -0.291 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049213881 802008238 /nfs/dbraw/zinc/00/82/38/802008238.db2.gz XEZPEJZDUUCASO-RFQIPJPRSA-N 2 1 281.400 -0.291 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213638 802009291 /nfs/dbraw/zinc/00/92/91/802009291.db2.gz RIIWNRWZNVHPAW-UPJWGTAASA-N 2 1 294.399 -0.926 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049213638 802009295 /nfs/dbraw/zinc/00/92/95/802009295.db2.gz RIIWNRWZNVHPAW-UPJWGTAASA-N 2 1 294.399 -0.926 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049213638 802009302 /nfs/dbraw/zinc/00/93/02/802009302.db2.gz RIIWNRWZNVHPAW-UPJWGTAASA-N 2 1 294.399 -0.926 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213882 802009365 /nfs/dbraw/zinc/00/93/65/802009365.db2.gz XEZPEJZDUUCASO-RQJABVFESA-N 2 1 281.400 -0.291 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049213882 802009375 /nfs/dbraw/zinc/00/93/75/802009375.db2.gz XEZPEJZDUUCASO-RQJABVFESA-N 2 1 281.400 -0.291 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049213882 802009378 /nfs/dbraw/zinc/00/93/78/802009378.db2.gz XEZPEJZDUUCASO-RQJABVFESA-N 2 1 281.400 -0.291 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)CC3)C1 ZINC001050753945 802072552 /nfs/dbraw/zinc/07/25/52/802072552.db2.gz JKLZKNINRKZUPM-LBPRGKRZSA-N 2 1 294.399 -0.652 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001051869922 802169599 /nfs/dbraw/zinc/16/95/99/802169599.db2.gz YMTZMEHLTOAVCP-CYBMUJFWSA-N 2 1 285.388 -0.454 20 0 CBADMP CC(C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001051869598 802169838 /nfs/dbraw/zinc/16/98/38/802169838.db2.gz UHZWGBXRFFGTIV-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCCO)CC2)C1 ZINC001052275515 802190888 /nfs/dbraw/zinc/19/08/88/802190888.db2.gz NFFKIQCDASDVFB-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCCO)CC2)C1 ZINC001052275515 802190892 /nfs/dbraw/zinc/19/08/92/802190892.db2.gz NFFKIQCDASDVFB-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](CCCO)CC2)C1 ZINC001052275515 802190895 /nfs/dbraw/zinc/19/08/95/802190895.db2.gz NFFKIQCDASDVFB-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](CCCO)CC2)C1 ZINC001052275515 802190898 /nfs/dbraw/zinc/19/08/98/802190898.db2.gz NFFKIQCDASDVFB-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCO)CC2)C1 ZINC001052934281 802224552 /nfs/dbraw/zinc/22/45/52/802224552.db2.gz ISNIOZHKSBYXDK-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCO)CC2)C1 ZINC001052934281 802224555 /nfs/dbraw/zinc/22/45/55/802224555.db2.gz ISNIOZHKSBYXDK-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)C1 ZINC001052934281 802224561 /nfs/dbraw/zinc/22/45/61/802224561.db2.gz ISNIOZHKSBYXDK-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937719 802225420 /nfs/dbraw/zinc/22/54/20/802225420.db2.gz NBTRZHQYPZTRCX-GFCCVEGCSA-N 2 1 282.388 -0.462 20 0 CBADMP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001054296968 802331491 /nfs/dbraw/zinc/33/14/91/802331491.db2.gz XPBPAEOXZOHVGX-FRRDWIJNSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055483109 802396570 /nfs/dbraw/zinc/39/65/70/802396570.db2.gz NQISZQPCEKTNCP-AWEZNQCLSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216059 814933976 /nfs/dbraw/zinc/93/39/76/814933976.db2.gz LBWQOLKELYIJQD-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216662 814934827 /nfs/dbraw/zinc/93/48/27/814934827.db2.gz QPAJVYXBWRXJQJ-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](N3CCNC3=O)C2)C1 ZINC001119683140 812866862 /nfs/dbraw/zinc/86/68/62/812866862.db2.gz YLJNPVPUQPGMHW-USZNOCQGSA-N 2 1 268.361 -0.673 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001121931489 813092297 /nfs/dbraw/zinc/09/22/97/813092297.db2.gz AMSJMYGMJDUEMP-VIFPVBQESA-N 2 1 251.277 -0.799 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1=CC[NH2+]CC1 ZINC001122015276 813104992 /nfs/dbraw/zinc/10/49/92/813104992.db2.gz MLBXNJAMPCNYMH-AAEUAGOBSA-N 2 1 264.373 -0.589 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1=CC[NH2+]CC1 ZINC001122015282 813105596 /nfs/dbraw/zinc/10/55/96/813105596.db2.gz MLBXNJAMPCNYMH-YPMHNXCESA-N 2 1 264.373 -0.589 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001122176486 813128083 /nfs/dbraw/zinc/12/80/83/813128083.db2.gz YFGSHVQVLCZDOY-WCABBAIRSA-N 2 1 263.345 -0.145 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001122368090 813154496 /nfs/dbraw/zinc/15/44/96/813154496.db2.gz MGUHCRIFZITPMG-WOPDTQHZSA-N 2 1 257.378 -0.197 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001127065597 813708808 /nfs/dbraw/zinc/70/88/08/813708808.db2.gz BUUYLMSQEGQTET-NWDGAFQWSA-N 2 1 257.378 -0.054 20 0 CBADMP C[NH+](C)CCC(=O)NCC[NH2+]Cc1cn(CC2CC2)nn1 ZINC001133294686 814237542 /nfs/dbraw/zinc/23/75/42/814237542.db2.gz PBHYTRJXIUHNPS-UHFFFAOYSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)C(=O)NC1CC1 ZINC001133833960 814304200 /nfs/dbraw/zinc/30/42/00/814304200.db2.gz KPEBOFZQZLYEGF-VXGBXAGGSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001133834463 814305076 /nfs/dbraw/zinc/30/50/76/814305076.db2.gz YJVPXHHJPCABKU-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001133845428 814306009 /nfs/dbraw/zinc/30/60/09/814306009.db2.gz FSCXKZSTQHXWON-LLVKDONJSA-N 2 1 270.377 -0.878 20 0 CBADMP CC[C@@H](C(=O)NCC[NH2+]Cc1ncnn1CC)[NH+](C)C ZINC001133982979 814332813 /nfs/dbraw/zinc/33/28/13/814332813.db2.gz RVRUSHLLQUZIEK-NSHDSACASA-N 2 1 282.392 -0.156 20 0 CBADMP CCc1nnc(C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C)n1C ZINC001133983065 814333744 /nfs/dbraw/zinc/33/37/44/814333744.db2.gz XKXKBUHRTSYLPE-NSHDSACASA-N 2 1 296.419 -0.077 20 0 CBADMP CN(CC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C(N)=[NH2+] ZINC001144144258 814773832 /nfs/dbraw/zinc/77/38/32/814773832.db2.gz VVZAWDNEEXZFHA-JTQLQIEISA-N 2 1 255.366 -0.340 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)c1nnnn1C ZINC001148360473 814939244 /nfs/dbraw/zinc/93/92/44/814939244.db2.gz VQYCXPIOOFQKKR-LLVKDONJSA-N 2 1 297.407 -0.291 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001148571173 814950658 /nfs/dbraw/zinc/95/06/58/814950658.db2.gz YXFTWBHNAFURNZ-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001148572848 814951344 /nfs/dbraw/zinc/95/13/44/814951344.db2.gz NJOCJGGAWWUKJK-NSHDSACASA-N 2 1 297.407 -0.291 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001148572848 814951350 /nfs/dbraw/zinc/95/13/50/814951350.db2.gz NJOCJGGAWWUKJK-NSHDSACASA-N 2 1 297.407 -0.291 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001148577933 814951549 /nfs/dbraw/zinc/95/15/49/814951549.db2.gz KMDNFYIVKCIXMR-UHFFFAOYSA-N 2 1 298.431 -0.050 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001148570796 814951615 /nfs/dbraw/zinc/95/16/15/814951615.db2.gz MJWUDRAEDZCMPQ-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001148571067 814951838 /nfs/dbraw/zinc/95/18/38/814951838.db2.gz VBJAZKOPXAIKAD-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001148571067 814951841 /nfs/dbraw/zinc/95/18/41/814951841.db2.gz VBJAZKOPXAIKAD-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001148638816 814953967 /nfs/dbraw/zinc/95/39/67/814953967.db2.gz SVAZJQMAKIWKHS-UHFFFAOYSA-N 2 1 298.431 -0.050 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001148638094 814955374 /nfs/dbraw/zinc/95/53/74/814955374.db2.gz BXJYWBJTTIITKU-UHFFFAOYSA-N 2 1 267.377 -0.032 20 0 CBADMP Cc1nonc1C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001321969469 803847280 /nfs/dbraw/zinc/84/72/80/803847280.db2.gz UUWPKKCQWUKRMI-VIFPVBQESA-N 2 1 269.349 -0.076 20 0 CBADMP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001322757583 803935236 /nfs/dbraw/zinc/93/52/36/803935236.db2.gz PDDJUOWYFRAOKE-KJGYPYNMSA-N 3 1 250.390 -0.711 20 0 CBADMP C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001322757583 803935238 /nfs/dbraw/zinc/93/52/38/803935238.db2.gz PDDJUOWYFRAOKE-KJGYPYNMSA-N 2 1 250.390 -0.711 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O ZINC001322796800 803939673 /nfs/dbraw/zinc/93/96/73/803939673.db2.gz QTWXTIMMWCMEQP-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCO)C1CC1 ZINC001323048739 803970808 /nfs/dbraw/zinc/97/08/08/803970808.db2.gz UTYZDRNDXFFOLJ-OLZOCXBDSA-N 2 1 269.389 -0.053 20 0 CBADMP Cc1nc[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]1C[C@@H](C)O ZINC001323340058 804012167 /nfs/dbraw/zinc/01/21/67/804012167.db2.gz LAKCYKSMDHMLQB-KOLCDFICSA-N 2 1 266.345 -0.168 20 0 CBADMP Cc1nc[nH]c1CC(=O)NC[C@@H]1CCN1C[C@@H](C)O ZINC001323340058 804012177 /nfs/dbraw/zinc/01/21/77/804012177.db2.gz LAKCYKSMDHMLQB-KOLCDFICSA-N 2 1 266.345 -0.168 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1C[C@H](C)O ZINC001323359079 804015964 /nfs/dbraw/zinc/01/59/64/804015964.db2.gz ZBFGFOVCDVBINS-NWDGAFQWSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1C[C@H](C)O ZINC001323359079 804015973 /nfs/dbraw/zinc/01/59/73/804015973.db2.gz ZBFGFOVCDVBINS-NWDGAFQWSA-N 2 1 257.378 -0.102 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCOCCO)CC1 ZINC001323519480 804036381 /nfs/dbraw/zinc/03/63/81/804036381.db2.gz NSDFQYIOEKEXSU-ZDUSSCGKSA-N 2 1 299.415 -0.282 20 0 CBADMP CCN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001325213180 804260762 /nfs/dbraw/zinc/26/07/62/804260762.db2.gz HIPMTULJGMYPHL-GHMZBOCLSA-N 2 1 255.362 -0.491 20 0 CBADMP CC(C)([NH3+])CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001325745297 804311946 /nfs/dbraw/zinc/31/19/46/804311946.db2.gz IBMIOQQYCIJGEO-UHFFFAOYSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715403 815040844 /nfs/dbraw/zinc/04/08/44/815040844.db2.gz KJJFPRPHBNAXFQ-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049036 815051431 /nfs/dbraw/zinc/05/14/31/815051431.db2.gz HVGQUMNFQQEQDF-STQMWFEESA-N 2 1 298.431 -0.195 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048353 815052574 /nfs/dbraw/zinc/05/25/74/815052574.db2.gz AGQFYFPZKLIPHJ-LLVKDONJSA-N 2 1 270.377 -0.830 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048743 815052881 /nfs/dbraw/zinc/05/28/81/815052881.db2.gz FIWRDYAPMICYOS-LLVKDONJSA-N 2 1 280.376 -0.545 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001151064976 815053753 /nfs/dbraw/zinc/05/37/53/815053753.db2.gz GKMQQGNGAZCEKO-NSHDSACASA-N 2 1 280.376 -0.545 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001151064976 815053759 /nfs/dbraw/zinc/05/37/59/815053759.db2.gz GKMQQGNGAZCEKO-NSHDSACASA-N 2 1 280.376 -0.545 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)C1 ZINC001151049676 815054421 /nfs/dbraw/zinc/05/44/21/815054421.db2.gz VYGOVVRQPLAURI-SNVBAGLBSA-N 2 1 293.375 -0.835 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)C1 ZINC001151049676 815054430 /nfs/dbraw/zinc/05/44/30/815054430.db2.gz VYGOVVRQPLAURI-SNVBAGLBSA-N 2 1 293.375 -0.835 20 0 CBADMP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001151064406 815054501 /nfs/dbraw/zinc/05/45/01/815054501.db2.gz BHUVSUHDSBEVDM-GXSJLCMTSA-N 2 1 280.376 -0.168 20 0 CBADMP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001151064406 815054506 /nfs/dbraw/zinc/05/45/06/815054506.db2.gz BHUVSUHDSBEVDM-GXSJLCMTSA-N 2 1 280.376 -0.168 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001151065996 815055894 /nfs/dbraw/zinc/05/58/94/815055894.db2.gz PDCKWZBEDGVYHW-STQMWFEESA-N 2 1 296.415 -0.440 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H]2CCOC2)C1 ZINC001151065846 815056305 /nfs/dbraw/zinc/05/63/05/815056305.db2.gz NPYDRZXNBYEXGR-VXGBXAGGSA-N 2 1 255.362 -0.320 20 0 CBADMP CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001071020775 805207649 /nfs/dbraw/zinc/20/76/49/805207649.db2.gz UYPJQFGUDQENSA-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001071020775 805207658 /nfs/dbraw/zinc/20/76/58/805207658.db2.gz UYPJQFGUDQENSA-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001071020775 805207667 /nfs/dbraw/zinc/20/76/67/805207667.db2.gz UYPJQFGUDQENSA-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001071020775 805207675 /nfs/dbraw/zinc/20/76/75/805207675.db2.gz UYPJQFGUDQENSA-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001151065218 815057213 /nfs/dbraw/zinc/05/72/13/815057213.db2.gz IMNWRGSEQCJGFY-NWDGAFQWSA-N 2 1 292.387 -0.577 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001151065519 815057303 /nfs/dbraw/zinc/05/73/03/815057303.db2.gz KRVKOCNDQNBAPV-GFCCVEGCSA-N 2 1 291.399 -0.013 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001151065519 815057307 /nfs/dbraw/zinc/05/73/07/815057307.db2.gz KRVKOCNDQNBAPV-GFCCVEGCSA-N 2 1 291.399 -0.013 20 0 CBADMP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147037 815063116 /nfs/dbraw/zinc/06/31/16/815063116.db2.gz FBBKBWCVNIBLSS-NSHDSACASA-N 2 1 295.387 -0.188 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001151066779 815058065 /nfs/dbraw/zinc/05/80/65/815058065.db2.gz YPRWQHWEYMQNCY-QWRGUYRKSA-N 2 1 270.377 -0.879 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001151141438 815063795 /nfs/dbraw/zinc/06/37/95/815063795.db2.gz QRGLLGIQMGTLHD-UHFFFAOYSA-N 2 1 279.344 -0.870 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072542238 805309127 /nfs/dbraw/zinc/30/91/27/805309127.db2.gz NMAMHJCWEGZKEP-LBPRGKRZSA-N 2 1 267.373 -0.393 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072542238 805309133 /nfs/dbraw/zinc/30/91/33/805309133.db2.gz NMAMHJCWEGZKEP-LBPRGKRZSA-N 2 1 267.373 -0.393 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072542238 805309141 /nfs/dbraw/zinc/30/91/41/805309141.db2.gz NMAMHJCWEGZKEP-LBPRGKRZSA-N 2 1 267.373 -0.393 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001072544342 805312370 /nfs/dbraw/zinc/31/23/70/805312370.db2.gz JPBIDVSSUHEPHR-VXGBXAGGSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001072544342 805312378 /nfs/dbraw/zinc/31/23/78/805312378.db2.gz JPBIDVSSUHEPHR-VXGBXAGGSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001072544342 805312387 /nfs/dbraw/zinc/31/23/87/805312387.db2.gz JPBIDVSSUHEPHR-VXGBXAGGSA-N 2 1 294.399 -0.511 20 0 CBADMP COCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072579147 805316603 /nfs/dbraw/zinc/31/66/03/805316603.db2.gz VLHKMANMSQXZLY-CYBMUJFWSA-N 2 1 297.399 -0.502 20 0 CBADMP COCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072579147 805316611 /nfs/dbraw/zinc/31/66/11/805316611.db2.gz VLHKMANMSQXZLY-CYBMUJFWSA-N 2 1 297.399 -0.502 20 0 CBADMP COCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072579147 805316619 /nfs/dbraw/zinc/31/66/19/805316619.db2.gz VLHKMANMSQXZLY-CYBMUJFWSA-N 2 1 297.399 -0.502 20 0 CBADMP COCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072579147 805316629 /nfs/dbraw/zinc/31/66/29/805316629.db2.gz VLHKMANMSQXZLY-CYBMUJFWSA-N 2 1 297.399 -0.502 20 0 CBADMP CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580536 805318222 /nfs/dbraw/zinc/31/82/22/805318222.db2.gz CQEPCHGMMLXETR-GFCCVEGCSA-N 2 1 267.373 -0.129 20 0 CBADMP CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580536 805318233 /nfs/dbraw/zinc/31/82/33/805318233.db2.gz CQEPCHGMMLXETR-GFCCVEGCSA-N 2 1 267.373 -0.129 20 0 CBADMP CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072580536 805318243 /nfs/dbraw/zinc/31/82/43/805318243.db2.gz CQEPCHGMMLXETR-GFCCVEGCSA-N 2 1 267.373 -0.129 20 0 CBADMP CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072580536 805318254 /nfs/dbraw/zinc/31/82/54/805318254.db2.gz CQEPCHGMMLXETR-GFCCVEGCSA-N 2 1 267.373 -0.129 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CCCO)C3)C1 ZINC001072580615 805318455 /nfs/dbraw/zinc/31/84/55/805318455.db2.gz GACLWCDJJMAZOD-CYBMUJFWSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CCCO)C3)C1 ZINC001072580615 805318465 /nfs/dbraw/zinc/31/84/65/805318465.db2.gz GACLWCDJJMAZOD-CYBMUJFWSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCCO)C3)C1 ZINC001072580615 805318475 /nfs/dbraw/zinc/31/84/75/805318475.db2.gz GACLWCDJJMAZOD-CYBMUJFWSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCCO)C3)C1 ZINC001072580615 805318484 /nfs/dbraw/zinc/31/84/84/805318484.db2.gz GACLWCDJJMAZOD-CYBMUJFWSA-N 2 1 297.399 -0.766 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CCO)C3)CC[N@H+]1C ZINC001072752498 805333206 /nfs/dbraw/zinc/33/32/06/805333206.db2.gz MTFNBZZWZLHYPH-CHWSQXEVSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](CCO)C3)CC[NH+]1C ZINC001072752498 805333213 /nfs/dbraw/zinc/33/32/13/805333213.db2.gz MTFNBZZWZLHYPH-CHWSQXEVSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)CC[NH+]1C ZINC001072752498 805333222 /nfs/dbraw/zinc/33/32/22/805333222.db2.gz MTFNBZZWZLHYPH-CHWSQXEVSA-N 2 1 281.400 -0.147 20 0 CBADMP CC(C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2)[NH+](C)C ZINC001072835646 805339510 /nfs/dbraw/zinc/33/95/10/805339510.db2.gz QGROPRRUQGQWDA-ZDUSSCGKSA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2)[NH+](C)C ZINC001072835646 805339513 /nfs/dbraw/zinc/33/95/13/805339513.db2.gz QGROPRRUQGQWDA-ZDUSSCGKSA-N 2 1 296.415 -0.408 20 0 CBADMP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCO)C2)[NH+](C)C ZINC001072851154 805341566 /nfs/dbraw/zinc/34/15/66/805341566.db2.gz LULPSSQHSNTHMR-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP O=C(NC[C@H]1C[N@@H+](CCO)CCCO1)C12CC[NH+](CC1)C2 ZINC001073861536 805422408 /nfs/dbraw/zinc/42/24/08/805422408.db2.gz DZWIOTNMFDCVKJ-ZDUSSCGKSA-N 2 1 297.399 -0.718 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC)CCCO2)C1 ZINC001073896563 805423960 /nfs/dbraw/zinc/42/39/60/805423960.db2.gz VGGVJNZMFPRSCR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC)CCCO2)C1 ZINC001073896563 805423967 /nfs/dbraw/zinc/42/39/67/805423967.db2.gz VGGVJNZMFPRSCR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC)CCCO2)C1 ZINC001073896563 805423970 /nfs/dbraw/zinc/42/39/70/805423970.db2.gz VGGVJNZMFPRSCR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC)CCCO2)C1 ZINC001073896563 805423977 /nfs/dbraw/zinc/42/39/77/805423977.db2.gz VGGVJNZMFPRSCR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001074562681 805458104 /nfs/dbraw/zinc/45/81/04/805458104.db2.gz DFAMWDWDTHICCU-GARJFASQSA-N 2 1 268.361 -0.855 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001074695288 805465399 /nfs/dbraw/zinc/46/53/99/805465399.db2.gz RXOXBXSLZJFMTJ-AVGNSLFASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001075042190 805481914 /nfs/dbraw/zinc/48/19/14/805481914.db2.gz ATBGNOCDNRZXLX-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCCO)C[C@H]21 ZINC001075619661 805518240 /nfs/dbraw/zinc/51/82/40/805518240.db2.gz KYNZMECJKKAYHU-BFHYXJOUSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001075619661 805518248 /nfs/dbraw/zinc/51/82/48/805518248.db2.gz KYNZMECJKKAYHU-BFHYXJOUSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001075619661 805518251 /nfs/dbraw/zinc/51/82/51/805518251.db2.gz KYNZMECJKKAYHU-BFHYXJOUSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001075619534 805518322 /nfs/dbraw/zinc/51/83/22/805518322.db2.gz HCWSKJZLNYOOLT-RWMBFGLXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001075619534 805518327 /nfs/dbraw/zinc/51/83/27/805518327.db2.gz HCWSKJZLNYOOLT-RWMBFGLXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001075619534 805518333 /nfs/dbraw/zinc/51/83/33/805518333.db2.gz HCWSKJZLNYOOLT-RWMBFGLXSA-N 2 1 267.373 -0.394 20 0 CBADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001075798668 805534357 /nfs/dbraw/zinc/53/43/57/805534357.db2.gz JZAIBZOJJSOQIG-SOUVJXGZSA-N 2 1 293.411 -0.147 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001076241485 805562393 /nfs/dbraw/zinc/56/23/93/805562393.db2.gz QHJLMTKXFOKNEZ-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076241485 805562395 /nfs/dbraw/zinc/56/23/95/805562395.db2.gz QHJLMTKXFOKNEZ-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076241485 805562400 /nfs/dbraw/zinc/56/24/00/805562400.db2.gz QHJLMTKXFOKNEZ-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21)[NH+](C)C ZINC001076254121 805563986 /nfs/dbraw/zinc/56/39/86/805563986.db2.gz BSKYFDOVIYGETD-RWMBFGLXSA-N 2 1 269.389 -0.148 20 0 CBADMP CC[C@H](C[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1)OC ZINC001151737438 815087590 /nfs/dbraw/zinc/08/75/90/815087590.db2.gz DBPPSULSRLZJQD-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@H](C[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)OC ZINC001151737438 815087595 /nfs/dbraw/zinc/08/75/95/815087595.db2.gz DBPPSULSRLZJQD-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](C)OC)C1 ZINC001151740817 815088888 /nfs/dbraw/zinc/08/88/88/815088888.db2.gz YCOLACCXMQESFE-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](C)OC)C1 ZINC001151740817 815088894 /nfs/dbraw/zinc/08/88/94/815088894.db2.gz YCOLACCXMQESFE-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)COC)C1 ZINC001151740910 815089365 /nfs/dbraw/zinc/08/93/65/815089365.db2.gz ZJHMDCSERMOZII-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)COC)C1 ZINC001151740910 815089372 /nfs/dbraw/zinc/08/93/72/815089372.db2.gz ZJHMDCSERMOZII-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cncn2C)C1 ZINC001151749340 815092917 /nfs/dbraw/zinc/09/29/17/815092917.db2.gz VOYSMUAGYKVGCQ-CYBMUJFWSA-N 2 1 295.387 -0.653 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cncn2C)C1 ZINC001151749340 815092925 /nfs/dbraw/zinc/09/29/25/815092925.db2.gz VOYSMUAGYKVGCQ-CYBMUJFWSA-N 2 1 295.387 -0.653 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001152439929 815120720 /nfs/dbraw/zinc/12/07/20/815120720.db2.gz VRGCYCYLUGLMEA-UHFFFAOYSA-N 2 1 267.377 -0.034 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001152452223 815122847 /nfs/dbraw/zinc/12/28/47/815122847.db2.gz XBWNNZNHEFERPT-CYBMUJFWSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001152451675 815122987 /nfs/dbraw/zinc/12/29/87/815122987.db2.gz CXEHKNCFJSAMPE-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001152451675 815122991 /nfs/dbraw/zinc/12/29/91/815122991.db2.gz CXEHKNCFJSAMPE-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001152446415 815123195 /nfs/dbraw/zinc/12/31/95/815123195.db2.gz YEHBPTSVDOWRQY-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COC ZINC001152452047 815123232 /nfs/dbraw/zinc/12/32/32/815123232.db2.gz QUZQOYLQATYMJR-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001152451954 815123373 /nfs/dbraw/zinc/12/33/73/815123373.db2.gz NMEDOOCWGLUMIY-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001152457707 815124131 /nfs/dbraw/zinc/12/41/31/815124131.db2.gz HJEAQAGHTKOJCG-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001152458021 815124486 /nfs/dbraw/zinc/12/44/86/815124486.db2.gz KTYIVQPKKDLNTB-RYUDHWBXSA-N 2 1 257.378 -0.053 20 0 CBADMP C[NH+](C)CCOCCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001152947566 815142829 /nfs/dbraw/zinc/14/28/29/815142829.db2.gz WXJUJECXNZFOGF-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451714 815161956 /nfs/dbraw/zinc/16/19/56/815161956.db2.gz GACIXFJOSXMLGC-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451714 815161961 /nfs/dbraw/zinc/16/19/61/815161961.db2.gz GACIXFJOSXMLGC-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153451714 815161965 /nfs/dbraw/zinc/16/19/65/815161965.db2.gz GACIXFJOSXMLGC-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153451714 815161968 /nfs/dbraw/zinc/16/19/68/815161968.db2.gz GACIXFJOSXMLGC-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)[NH+](C)C ZINC001153780154 815176678 /nfs/dbraw/zinc/17/66/78/815176678.db2.gz CBHYZYWBZXDDGD-YNEHKIRRSA-N 2 1 269.389 -0.006 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167705 815202010 /nfs/dbraw/zinc/20/20/10/815202010.db2.gz QRIZJKNKHMOUOO-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167705 815202015 /nfs/dbraw/zinc/20/20/15/815202015.db2.gz QRIZJKNKHMOUOO-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP NC(=O)c1ccnc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155374049 815280757 /nfs/dbraw/zinc/28/07/57/815280757.db2.gz WNFCOCQPCGRHPW-LLVKDONJSA-N 2 1 290.371 -0.565 20 0 CBADMP Cn1cnnc1C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155790313 815310920 /nfs/dbraw/zinc/31/09/20/815310920.db2.gz JTBINCZXUSYHMI-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155789197 815311108 /nfs/dbraw/zinc/31/11/08/815311108.db2.gz BIBGRSSJIKNMQV-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001155790305 815311180 /nfs/dbraw/zinc/31/11/80/815311180.db2.gz JRDKIVNLDDRKPN-LLVKDONJSA-N 2 1 291.417 -0.779 20 0 CBADMP Cn1ncc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001155789622 815311285 /nfs/dbraw/zinc/31/12/85/815311285.db2.gz FTAFSSGXZYLTNO-LBPRGKRZSA-N 2 1 280.376 -0.495 20 0 CBADMP CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001155790653 815311908 /nfs/dbraw/zinc/31/19/08/815311908.db2.gz LHCDNMJWWDFVQE-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155789189 815312071 /nfs/dbraw/zinc/31/20/71/815312071.db2.gz BGHRKFVJNYDHHW-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CCn1nncc1C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155791018 815313452 /nfs/dbraw/zinc/31/34/52/815313452.db2.gz QSBPTHUPVLSGJY-CYBMUJFWSA-N 2 1 294.403 -0.012 20 0 CBADMP Cc1nnc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001155811355 815314090 /nfs/dbraw/zinc/31/40/90/815314090.db2.gz HTNHZUAYNPTCCT-LLVKDONJSA-N 2 1 280.376 -0.197 20 0 CBADMP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001155813662 815315163 /nfs/dbraw/zinc/31/51/63/815315163.db2.gz SXPQOGKVSUUCLN-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001155814095 815315237 /nfs/dbraw/zinc/31/52/37/815315237.db2.gz VGAVKFFHUSWQJJ-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H]2CCCOC2)C1 ZINC001156144207 815340121 /nfs/dbraw/zinc/34/01/21/815340121.db2.gz BLXXYHOCIXBYTC-UONOGXRCSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H]2CCCOC2)C1 ZINC001156144207 815340126 /nfs/dbraw/zinc/34/01/26/815340126.db2.gz BLXXYHOCIXBYTC-UONOGXRCSA-N 2 1 299.415 -0.161 20 0 CBADMP C[NH+]1CCN(c2ccc(NOCC[NH3+])nn2)CC1 ZINC001156284960 815352862 /nfs/dbraw/zinc/35/28/62/815352862.db2.gz AGQQGJDMXAPDOF-UHFFFAOYSA-N 2 1 252.322 -0.469 20 0 CBADMP O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001086093229 810242056 /nfs/dbraw/zinc/24/20/56/810242056.db2.gz FGWGCQOYSMELLK-RFQIPJPRSA-N 2 1 297.399 -0.674 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001086270928 810253196 /nfs/dbraw/zinc/25/31/96/810253196.db2.gz ZLMNRZXPYOJWNS-FIQHERPVSA-N 2 1 282.388 -0.704 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001086270929 810253633 /nfs/dbraw/zinc/25/36/33/810253633.db2.gz ZLMNRZXPYOJWNS-KKOKHZNYSA-N 2 1 282.388 -0.704 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086272212 810253708 /nfs/dbraw/zinc/25/37/08/810253708.db2.gz YCDKMSRSIHUXDH-NDBYEHHHSA-N 2 1 294.399 -0.689 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086278508 810255155 /nfs/dbraw/zinc/25/51/55/810255155.db2.gz ZDHLEDKXORRMJG-XQQFMLRXSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCF)C2)C1 ZINC001086331624 810261242 /nfs/dbraw/zinc/26/12/42/810261242.db2.gz BBBCKFBOLRNACE-IJLUTSLNSA-N 2 1 273.352 -0.229 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCF)C2)C1 ZINC001086331624 810261250 /nfs/dbraw/zinc/26/12/50/810261250.db2.gz BBBCKFBOLRNACE-IJLUTSLNSA-N 2 1 273.352 -0.229 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)O1 ZINC001086399125 810267017 /nfs/dbraw/zinc/26/70/17/810267017.db2.gz ORICLZYHRLALPZ-FDYHWXHSSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)O1 ZINC001086399125 810267022 /nfs/dbraw/zinc/26/70/22/810267022.db2.gz ORICLZYHRLALPZ-FDYHWXHSSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086551868 810279166 /nfs/dbraw/zinc/27/91/66/810279166.db2.gz OCUYRVLWDUCHTA-RVMXOQNASA-N 2 1 269.389 -0.197 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374755 815357238 /nfs/dbraw/zinc/35/72/38/815357238.db2.gz WNHSZPAFWZPEDQ-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374755 815357244 /nfs/dbraw/zinc/35/72/44/815357244.db2.gz WNHSZPAFWZPEDQ-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156374755 815357251 /nfs/dbraw/zinc/35/72/51/815357251.db2.gz WNHSZPAFWZPEDQ-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156374755 815357258 /nfs/dbraw/zinc/35/72/58/815357258.db2.gz WNHSZPAFWZPEDQ-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCO)C2)C1 ZINC001086665929 810281573 /nfs/dbraw/zinc/28/15/73/810281573.db2.gz UCRLMSCECKDBIC-XQQFMLRXSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCO)C2)C1 ZINC001086665929 810281576 /nfs/dbraw/zinc/28/15/76/810281576.db2.gz UCRLMSCECKDBIC-XQQFMLRXSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409738 815358296 /nfs/dbraw/zinc/35/82/96/815358296.db2.gz WQVFPPILSSBUDW-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409738 815358300 /nfs/dbraw/zinc/35/83/00/815358300.db2.gz WQVFPPILSSBUDW-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCO ZINC001087530413 810295550 /nfs/dbraw/zinc/29/55/50/810295550.db2.gz ZSVGKJCNKYSQLG-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCO ZINC001087530413 810295554 /nfs/dbraw/zinc/29/55/54/810295554.db2.gz ZSVGKJCNKYSQLG-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCO ZINC001087530413 810295558 /nfs/dbraw/zinc/29/55/58/810295558.db2.gz ZSVGKJCNKYSQLG-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCO ZINC001087530413 810295560 /nfs/dbraw/zinc/29/55/60/810295560.db2.gz ZSVGKJCNKYSQLG-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CC(N)=O ZINC001087577964 810301042 /nfs/dbraw/zinc/30/10/42/810301042.db2.gz SUBFDLCDYUZUIR-FVCCEPFGSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CC(N)=O ZINC001087577964 810301050 /nfs/dbraw/zinc/30/10/50/810301050.db2.gz SUBFDLCDYUZUIR-FVCCEPFGSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CC(N)=O ZINC001087577964 810301056 /nfs/dbraw/zinc/30/10/56/810301056.db2.gz SUBFDLCDYUZUIR-FVCCEPFGSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CC(N)=O ZINC001087577964 810301064 /nfs/dbraw/zinc/30/10/64/810301064.db2.gz SUBFDLCDYUZUIR-FVCCEPFGSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(N)=O ZINC001087796467 810307323 /nfs/dbraw/zinc/30/73/23/810307323.db2.gz BDBUVUFQFJHCQO-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(N)=O ZINC001087796467 810307330 /nfs/dbraw/zinc/30/73/30/810307330.db2.gz BDBUVUFQFJHCQO-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(N)=O ZINC001087796467 810307332 /nfs/dbraw/zinc/30/73/32/810307332.db2.gz BDBUVUFQFJHCQO-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(N)=O ZINC001087796467 810307340 /nfs/dbraw/zinc/30/73/40/810307340.db2.gz BDBUVUFQFJHCQO-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001087908504 810312693 /nfs/dbraw/zinc/31/26/93/810312693.db2.gz DZVOXPFKEFEIGA-RDBSUJKOSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001087908504 810312700 /nfs/dbraw/zinc/31/27/00/810312700.db2.gz DZVOXPFKEFEIGA-RDBSUJKOSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001087908504 810312710 /nfs/dbraw/zinc/31/27/10/810312710.db2.gz DZVOXPFKEFEIGA-RDBSUJKOSA-N 2 1 281.400 -0.147 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(N)=O)C1 ZINC001088279317 810325231 /nfs/dbraw/zinc/32/52/31/810325231.db2.gz PWLKTJBHFBMGSU-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001088577867 810344528 /nfs/dbraw/zinc/34/45/28/810344528.db2.gz TUTPOEMFSQAGTO-LPWJVIDDSA-N 2 1 296.415 -0.348 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001088577867 810344536 /nfs/dbraw/zinc/34/45/36/810344536.db2.gz TUTPOEMFSQAGTO-LPWJVIDDSA-N 2 1 296.415 -0.348 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001088577867 810344547 /nfs/dbraw/zinc/34/45/47/810344547.db2.gz TUTPOEMFSQAGTO-LPWJVIDDSA-N 2 1 296.415 -0.348 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001088577867 810344555 /nfs/dbraw/zinc/34/45/55/810344555.db2.gz TUTPOEMFSQAGTO-LPWJVIDDSA-N 2 1 296.415 -0.348 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCO ZINC001088571774 810346309 /nfs/dbraw/zinc/34/63/09/810346309.db2.gz MXPSQTVORMSBBP-XBFCOCLRSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(N)=O ZINC001089037759 810373883 /nfs/dbraw/zinc/37/38/83/810373883.db2.gz PYSHUYLQRPNRSP-VWYCJHECSA-N 2 1 268.361 -0.998 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(N)=O ZINC001089037759 810373890 /nfs/dbraw/zinc/37/38/90/810373890.db2.gz PYSHUYLQRPNRSP-VWYCJHECSA-N 2 1 268.361 -0.998 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(N)=O ZINC001089037759 810373898 /nfs/dbraw/zinc/37/38/98/810373898.db2.gz PYSHUYLQRPNRSP-VWYCJHECSA-N 2 1 268.361 -0.998 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(N)=O ZINC001089037759 810373904 /nfs/dbraw/zinc/37/39/04/810373904.db2.gz PYSHUYLQRPNRSP-VWYCJHECSA-N 2 1 268.361 -0.998 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCCO)[C@@H]2C)C1 ZINC001089050085 810377136 /nfs/dbraw/zinc/37/71/36/810377136.db2.gz PZPMBWZGPUMXNW-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCO)[C@@H]2C)C1 ZINC001089050085 810377130 /nfs/dbraw/zinc/37/71/30/810377130.db2.gz PZPMBWZGPUMXNW-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCO)[C@@H]2C)C1 ZINC001089050085 810377133 /nfs/dbraw/zinc/37/71/33/810377133.db2.gz PZPMBWZGPUMXNW-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCO)[C@@H]2C)C1 ZINC001089050085 810377139 /nfs/dbraw/zinc/37/71/39/810377139.db2.gz PZPMBWZGPUMXNW-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001090390510 810488824 /nfs/dbraw/zinc/48/88/24/810488824.db2.gz HUDNCEYWCIRGPT-QWHCGFSZSA-N 2 1 297.399 -0.842 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090536530 810517348 /nfs/dbraw/zinc/51/73/48/810517348.db2.gz FVRPQQCQOFIKMR-KBPBESRZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC001090539502 810521023 /nfs/dbraw/zinc/52/10/23/810521023.db2.gz YKLARNPZTKUAKN-KBPBESRZSA-N 2 1 299.415 -0.738 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCO)C[C@H]2O)C1 ZINC001090572667 810527663 /nfs/dbraw/zinc/52/76/63/810527663.db2.gz HVHOQFBZOBJXIK-QWHCGFSZSA-N 2 1 299.415 -0.738 20 0 CBADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)C1 ZINC001090572667 810527668 /nfs/dbraw/zinc/52/76/68/810527668.db2.gz HVHOQFBZOBJXIK-QWHCGFSZSA-N 2 1 299.415 -0.738 20 0 CBADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)C1 ZINC001090572667 810527671 /nfs/dbraw/zinc/52/76/71/810527671.db2.gz HVHOQFBZOBJXIK-QWHCGFSZSA-N 2 1 299.415 -0.738 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730858 810558462 /nfs/dbraw/zinc/55/84/62/810558462.db2.gz OXMZOJMCZWMVHX-NEPJUHHUSA-N 2 1 267.373 -0.347 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730866 810558987 /nfs/dbraw/zinc/55/89/87/810558987.db2.gz OXMZOJMCZWMVHX-VXGBXAGGSA-N 2 1 267.373 -0.347 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090729917 810559360 /nfs/dbraw/zinc/55/93/60/810559360.db2.gz CFRIIQJDTDORSA-CHWSQXEVSA-N 2 1 299.390 -0.007 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730862 810560517 /nfs/dbraw/zinc/56/05/17/810560517.db2.gz OXMZOJMCZWMVHX-NWDGAFQWSA-N 2 1 267.373 -0.347 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730864 810560706 /nfs/dbraw/zinc/56/07/06/810560706.db2.gz OXMZOJMCZWMVHX-RYUDHWBXSA-N 2 1 267.373 -0.347 20 0 CBADMP COCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808458 810568695 /nfs/dbraw/zinc/56/86/95/810568695.db2.gz LHERDACKEPWCFF-OLZOCXBDSA-N 2 1 296.371 -0.611 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808458 810568698 /nfs/dbraw/zinc/56/86/98/810568698.db2.gz LHERDACKEPWCFF-OLZOCXBDSA-N 2 1 296.371 -0.611 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090808874 810569731 /nfs/dbraw/zinc/56/97/31/810569731.db2.gz PINIMAFVSHGQAL-QWHCGFSZSA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090808874 810569734 /nfs/dbraw/zinc/56/97/34/810569734.db2.gz PINIMAFVSHGQAL-QWHCGFSZSA-N 2 1 296.371 -0.875 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090817845 810571511 /nfs/dbraw/zinc/57/15/11/810571511.db2.gz SWWPYCMBKLOCHL-CHWSQXEVSA-N 2 1 287.379 -0.007 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CCO)C2)CC[N@H+]1C ZINC001091037681 810586511 /nfs/dbraw/zinc/58/65/11/810586511.db2.gz UKQJWILGGBSRBA-IKWCTNDRSA-N 2 1 269.389 -0.197 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091027187 810586716 /nfs/dbraw/zinc/58/67/16/810586716.db2.gz ZPZSEYZDXXCHPW-BPCQOVAHSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001091372735 810605228 /nfs/dbraw/zinc/60/52/28/810605228.db2.gz YQIZNWXXBKSCSZ-BPCQOVAHSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001091372735 810605233 /nfs/dbraw/zinc/60/52/33/810605233.db2.gz YQIZNWXXBKSCSZ-BPCQOVAHSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCO)C[C@@]2(C)C1 ZINC001091544190 810611207 /nfs/dbraw/zinc/61/12/07/810611207.db2.gz WEUOJLMRCDVOCQ-NFAWXSAZSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001091544190 810611215 /nfs/dbraw/zinc/61/12/15/810611215.db2.gz WEUOJLMRCDVOCQ-NFAWXSAZSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001091544190 810611222 /nfs/dbraw/zinc/61/12/22/810611222.db2.gz WEUOJLMRCDVOCQ-NFAWXSAZSA-N 2 1 281.400 -0.147 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCO)C[C@@]2(C)C1 ZINC001091544188 810611586 /nfs/dbraw/zinc/61/15/86/810611586.db2.gz WEUOJLMRCDVOCQ-IPYPFGDCSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001091544188 810611589 /nfs/dbraw/zinc/61/15/89/810611589.db2.gz WEUOJLMRCDVOCQ-IPYPFGDCSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001091544188 810611592 /nfs/dbraw/zinc/61/15/92/810611592.db2.gz WEUOJLMRCDVOCQ-IPYPFGDCSA-N 2 1 281.400 -0.147 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001091856723 810615269 /nfs/dbraw/zinc/61/52/69/810615269.db2.gz ZYDDHWIEJZPMSM-HIFRSBDPSA-N 2 1 292.383 -0.036 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001091856723 810615272 /nfs/dbraw/zinc/61/52/72/810615272.db2.gz ZYDDHWIEJZPMSM-HIFRSBDPSA-N 2 1 292.383 -0.036 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092505044 810631148 /nfs/dbraw/zinc/63/11/48/810631148.db2.gz FTAKNHYUJDOUEC-IJLUTSLNSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092505044 810631152 /nfs/dbraw/zinc/63/11/52/810631152.db2.gz FTAKNHYUJDOUEC-IJLUTSLNSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092505044 810631158 /nfs/dbraw/zinc/63/11/58/810631158.db2.gz FTAKNHYUJDOUEC-IJLUTSLNSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[N@H+](CCF)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092523994 810632586 /nfs/dbraw/zinc/63/25/86/810632586.db2.gz QLQMZELFUDBPAD-UPJWGTAASA-N 2 1 287.379 -0.029 20 0 CBADMP C[C@@H]1C[N@@H+](CCF)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092523994 810632590 /nfs/dbraw/zinc/63/25/90/810632590.db2.gz QLQMZELFUDBPAD-UPJWGTAASA-N 2 1 287.379 -0.029 20 0 CBADMP C[C@@H]1C[NH+](CCF)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092523994 810632594 /nfs/dbraw/zinc/63/25/94/810632594.db2.gz QLQMZELFUDBPAD-UPJWGTAASA-N 2 1 287.379 -0.029 20 0 CBADMP C[C@@H]1C[NH+](CCF)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092523994 810632599 /nfs/dbraw/zinc/63/25/99/810632599.db2.gz QLQMZELFUDBPAD-UPJWGTAASA-N 2 1 287.379 -0.029 20 0 CBADMP N=c1ncc(C[NH3+])cn1C(=O)c1ccc2[nH]c(N)[nH+]c2c1 ZINC001156977599 815394084 /nfs/dbraw/zinc/39/40/84/815394084.db2.gz WXLRQGRJJAEBJK-UHFFFAOYSA-N 2 1 283.295 -0.032 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890814 815388748 /nfs/dbraw/zinc/38/87/48/815388748.db2.gz UBQREWDGCWAJNU-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890814 815388755 /nfs/dbraw/zinc/38/87/55/815388755.db2.gz UBQREWDGCWAJNU-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890814 815388760 /nfs/dbraw/zinc/38/87/60/815388760.db2.gz UBQREWDGCWAJNU-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890814 815388765 /nfs/dbraw/zinc/38/87/65/815388765.db2.gz UBQREWDGCWAJNU-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[NH2+]CCNc1ccnc(N2CC[NH+](C)CC2)n1 ZINC001156897605 815389101 /nfs/dbraw/zinc/38/91/01/815389101.db2.gz UEJNDYXHXJVNKH-UHFFFAOYSA-N 2 1 250.350 -0.140 20 0 CBADMP N=c1cc(C[NH3+])ncn1C(=O)c1ccc2[nH]c(N)[nH+]c2c1 ZINC001156975842 815393755 /nfs/dbraw/zinc/39/37/55/815393755.db2.gz VMQNSLRYADGPFG-UHFFFAOYSA-N 2 1 283.295 -0.032 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001096586365 810782770 /nfs/dbraw/zinc/78/27/70/810782770.db2.gz XTHRNXFXSHHULU-ZOBORPQBSA-N 2 1 297.399 -0.579 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001096586365 810782775 /nfs/dbraw/zinc/78/27/75/810782775.db2.gz XTHRNXFXSHHULU-ZOBORPQBSA-N 2 1 297.399 -0.579 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)C1 ZINC001096586365 810782779 /nfs/dbraw/zinc/78/27/79/810782779.db2.gz XTHRNXFXSHHULU-ZOBORPQBSA-N 2 1 297.399 -0.579 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1 ZINC001096586365 810782785 /nfs/dbraw/zinc/78/27/85/810782785.db2.gz XTHRNXFXSHHULU-ZOBORPQBSA-N 2 1 297.399 -0.579 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)O1 ZINC001097323406 810802422 /nfs/dbraw/zinc/80/24/22/810802422.db2.gz CEPMJZVBJJPQPP-XGFWRYKXSA-N 2 1 297.399 -0.581 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)O1 ZINC001097323406 810802428 /nfs/dbraw/zinc/80/24/28/810802428.db2.gz CEPMJZVBJJPQPP-XGFWRYKXSA-N 2 1 297.399 -0.581 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)O1 ZINC001097323406 810802435 /nfs/dbraw/zinc/80/24/35/810802435.db2.gz CEPMJZVBJJPQPP-XGFWRYKXSA-N 2 1 297.399 -0.581 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)O1 ZINC001097323406 810802442 /nfs/dbraw/zinc/80/24/42/810802442.db2.gz CEPMJZVBJJPQPP-XGFWRYKXSA-N 2 1 297.399 -0.581 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)CC1 ZINC001099971583 810979688 /nfs/dbraw/zinc/97/96/88/810979688.db2.gz JZEHSIXFFGVYPA-NEPJUHHUSA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)CC1 ZINC001099971583 810979692 /nfs/dbraw/zinc/97/96/92/810979692.db2.gz JZEHSIXFFGVYPA-NEPJUHHUSA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)CC1 ZINC001099971586 810980479 /nfs/dbraw/zinc/98/04/79/810980479.db2.gz JZEHSIXFFGVYPA-VXGBXAGGSA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)CC1 ZINC001099971586 810980484 /nfs/dbraw/zinc/98/04/84/810980484.db2.gz JZEHSIXFFGVYPA-VXGBXAGGSA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099973614 810981761 /nfs/dbraw/zinc/98/17/61/810981761.db2.gz GGXNJOUVKHVCJF-OLZOCXBDSA-N 2 1 287.404 -0.738 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001099986966 810985200 /nfs/dbraw/zinc/98/52/00/810985200.db2.gz RTDYQOSLTTWFOM-QWHCGFSZSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001099986964 810985530 /nfs/dbraw/zinc/98/55/30/810985530.db2.gz RTDYQOSLTTWFOM-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037339 810997921 /nfs/dbraw/zinc/99/79/21/810997921.db2.gz XSFJCRJOLJPADI-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037339 810997925 /nfs/dbraw/zinc/99/79/25/810997925.db2.gz XSFJCRJOLJPADI-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CC)C[C@@H]1O ZINC001100041769 811001534 /nfs/dbraw/zinc/00/15/34/811001534.db2.gz NZAGXPXCCKCXSV-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100042119 811004227 /nfs/dbraw/zinc/00/42/27/811004227.db2.gz UBATWEDIAYTSGO-QWHCGFSZSA-N 2 1 287.404 -0.738 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100073476 811015701 /nfs/dbraw/zinc/01/57/01/811015701.db2.gz CQQBGEBYOCXBOG-STQMWFEESA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCOC)C[C@H]1O ZINC001100081333 811018072 /nfs/dbraw/zinc/01/80/72/811018072.db2.gz QLGPNZQEPYVRDQ-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCOC)C[C@H]1O ZINC001100081333 811018080 /nfs/dbraw/zinc/01/80/80/811018080.db2.gz QLGPNZQEPYVRDQ-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001100081333 811018089 /nfs/dbraw/zinc/01/80/89/811018089.db2.gz QLGPNZQEPYVRDQ-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132579 811029660 /nfs/dbraw/zinc/02/96/60/811029660.db2.gz WDFPIKNSMKBEQF-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100132579 811029668 /nfs/dbraw/zinc/02/96/68/811029668.db2.gz WDFPIKNSMKBEQF-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100132579 811029675 /nfs/dbraw/zinc/02/96/75/811029675.db2.gz WDFPIKNSMKBEQF-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@@H]([NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001100410697 811057142 /nfs/dbraw/zinc/05/71/42/811057142.db2.gz ITPHIHPJOXGWTJ-VOMCLLRMSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001100678471 811071230 /nfs/dbraw/zinc/07/12/30/811071230.db2.gz MAWPCUJPWCTPFA-HIFPTAJRSA-N 2 1 269.389 -0.195 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC1CC([NH2+]CCCO)C1 ZINC001100758700 811078161 /nfs/dbraw/zinc/07/81/61/811078161.db2.gz KWRZPDANUNPKJZ-UHFFFAOYSA-N 2 1 299.415 -0.425 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001100900207 811085612 /nfs/dbraw/zinc/08/56/12/811085612.db2.gz VUGFYXZALYENKP-UHFFFAOYSA-N 2 1 284.404 -0.441 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CCOCCO)C2)C1 ZINC001100980828 811089207 /nfs/dbraw/zinc/08/92/07/811089207.db2.gz HVUGUXAWTWLAMD-MOKVOYLWSA-N 2 1 299.415 -0.569 20 0 CBADMP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001100981102 811089820 /nfs/dbraw/zinc/08/98/20/811089820.db2.gz VRCABLAWNXJLEG-CXQJBGSLSA-N 2 1 282.388 -0.832 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CCCO)C2)C1 ZINC001100981039 811089906 /nfs/dbraw/zinc/08/99/06/811089906.db2.gz RVTGRBNTYCNXCB-OTTFEQOBSA-N 2 1 269.389 -0.195 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])c1cccnc1 ZINC001157323271 815423242 /nfs/dbraw/zinc/42/32/42/815423242.db2.gz NSMHQYRVYIFKDG-NWDGAFQWSA-N 2 1 293.371 -0.559 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102156055 811147668 /nfs/dbraw/zinc/14/76/68/811147668.db2.gz KENUCVWPAYEQCR-ZYHUDNBSSA-N 2 1 293.371 -0.639 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001102156055 811147671 /nfs/dbraw/zinc/14/76/71/811147671.db2.gz KENUCVWPAYEQCR-ZYHUDNBSSA-N 2 1 293.371 -0.639 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001102377716 811152915 /nfs/dbraw/zinc/15/29/15/811152915.db2.gz DVDDUQZKFPPTST-UTUOFQBUSA-N 2 1 284.404 -0.504 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320779 811153791 /nfs/dbraw/zinc/15/37/91/811153791.db2.gz SRPJTDHMJINISH-FRRDWIJNSA-N 2 1 298.431 -0.243 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001102525061 811157974 /nfs/dbraw/zinc/15/79/74/811157974.db2.gz JVEJERXSXBKYSR-VXGBXAGGSA-N 2 1 284.404 -0.502 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001102525061 811157981 /nfs/dbraw/zinc/15/79/81/811157981.db2.gz JVEJERXSXBKYSR-VXGBXAGGSA-N 2 1 284.404 -0.502 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102525061 811157986 /nfs/dbraw/zinc/15/79/86/811157986.db2.gz JVEJERXSXBKYSR-VXGBXAGGSA-N 2 1 284.404 -0.502 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC)C[C@H]1C ZINC001102524416 811159533 /nfs/dbraw/zinc/15/95/33/811159533.db2.gz DODSJWKIZDZJEC-CHWSQXEVSA-N 2 1 298.431 -0.242 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C ZINC001102524416 811159545 /nfs/dbraw/zinc/15/95/45/811159545.db2.gz DODSJWKIZDZJEC-CHWSQXEVSA-N 2 1 298.431 -0.242 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C ZINC001102524416 811159553 /nfs/dbraw/zinc/15/95/53/811159553.db2.gz DODSJWKIZDZJEC-CHWSQXEVSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579753 811160120 /nfs/dbraw/zinc/16/01/20/811160120.db2.gz NXSXNGNOAXGKIF-VXGBXAGGSA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819422 811170788 /nfs/dbraw/zinc/17/07/88/811170788.db2.gz SZHBXSUMUZCNML-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819422 811170794 /nfs/dbraw/zinc/17/07/94/811170794.db2.gz SZHBXSUMUZCNML-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102819422 811170797 /nfs/dbraw/zinc/17/07/97/811170797.db2.gz SZHBXSUMUZCNML-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102819422 811170801 /nfs/dbraw/zinc/17/08/01/811170801.db2.gz SZHBXSUMUZCNML-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398339 811182586 /nfs/dbraw/zinc/18/25/86/811182586.db2.gz OPTDUWYNOSNNFM-FRRDWIJNSA-N 2 1 298.431 -0.114 20 0 CBADMP Cn1ccnc1CCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157424118 815432653 /nfs/dbraw/zinc/43/26/53/815432653.db2.gz WHUMNEHKDWYUMJ-UHFFFAOYSA-N 2 1 265.361 -0.580 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCO ZINC001105945275 811282087 /nfs/dbraw/zinc/28/20/87/811282087.db2.gz RSPPWVLTTYQWDO-UPJWGTAASA-N 2 1 269.389 -0.243 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CCO)[C@H](C)C1 ZINC001106433617 811306241 /nfs/dbraw/zinc/30/62/41/811306241.db2.gz LQJUEYGFLQJARD-DGCLKSJQSA-N 2 1 280.372 -0.132 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C1 ZINC001106908393 811318642 /nfs/dbraw/zinc/31/86/42/811318642.db2.gz YKKVMASFTQASHG-FRRDWIJNSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCO ZINC001106981693 811321028 /nfs/dbraw/zinc/32/10/28/811321028.db2.gz ZISAZMNNUGXPLR-FRRDWIJNSA-N 2 1 269.389 -0.386 20 0 CBADMP [NH3+][C@H]1CN(C(=O)[C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)C[C@H]1F ZINC001157536400 815442316 /nfs/dbraw/zinc/44/23/16/815442316.db2.gz LISMQSIUZOZVAP-YUTCNCBUSA-N 3 1 298.406 -0.042 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108165208 811418527 /nfs/dbraw/zinc/41/85/27/811418527.db2.gz COQNXCKGKXDEPI-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108165208 811418533 /nfs/dbraw/zinc/41/85/33/811418533.db2.gz COQNXCKGKXDEPI-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP C[N@@H+]1CCCC[C@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001157602123 815447283 /nfs/dbraw/zinc/44/72/83/815447283.db2.gz NPMUGDQHPZBFKI-LBPRGKRZSA-N 2 1 253.346 -0.330 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001157602123 815447287 /nfs/dbraw/zinc/44/72/87/815447287.db2.gz NPMUGDQHPZBFKI-LBPRGKRZSA-N 2 1 253.346 -0.330 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108342469 811438714 /nfs/dbraw/zinc/43/87/14/811438714.db2.gz GTBKOGGTNPPOIP-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108342469 811438720 /nfs/dbraw/zinc/43/87/20/811438720.db2.gz GTBKOGGTNPPOIP-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)C1 ZINC001108342469 811438724 /nfs/dbraw/zinc/43/87/24/811438724.db2.gz GTBKOGGTNPPOIP-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)C1 ZINC001108342469 811438728 /nfs/dbraw/zinc/43/87/28/811438728.db2.gz GTBKOGGTNPPOIP-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP CC(C)[NH+]1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108568036 811460406 /nfs/dbraw/zinc/46/04/06/811460406.db2.gz HOZHGTXKUWAFGR-GFCCVEGCSA-N 2 1 296.415 -0.252 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001109849489 811501752 /nfs/dbraw/zinc/50/17/52/811501752.db2.gz USIXBRHZIPQWPN-RDBSUJKOSA-N 2 1 297.399 -0.578 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001109849489 811501758 /nfs/dbraw/zinc/50/17/58/811501758.db2.gz USIXBRHZIPQWPN-RDBSUJKOSA-N 2 1 297.399 -0.578 20 0 CBADMP CN(Cc1ncccn1)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157682104 815453089 /nfs/dbraw/zinc/45/30/89/815453089.db2.gz VKGWGQPSCMTERT-UHFFFAOYSA-N 2 1 263.345 -0.223 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110982017 811536104 /nfs/dbraw/zinc/53/61/04/811536104.db2.gz CWGCQZZTLDWLJY-LPWJVIDDSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110982017 811536108 /nfs/dbraw/zinc/53/61/08/811536108.db2.gz CWGCQZZTLDWLJY-LPWJVIDDSA-N 2 1 296.415 -0.077 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111939628 811559628 /nfs/dbraw/zinc/55/96/28/811559628.db2.gz JZONVYVPYHYPGP-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP N[C@@H]1C[C@]2(C(=O)N3CCC[C@](F)(C[NH3+])CC3)CC[C@H]1[NH2+]2 ZINC001157741010 815460620 /nfs/dbraw/zinc/46/06/20/815460620.db2.gz RWXGBOTZPNTSSJ-OXHZDVMGSA-N 2 1 284.379 -0.112 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[NH+](C[C@@H](O)COC)CC1 ZINC001113499326 811643508 /nfs/dbraw/zinc/64/35/08/811643508.db2.gz UBTCYESSINREKZ-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[NH+](C[C@@H](O)COC)CC1 ZINC001113499326 811643511 /nfs/dbraw/zinc/64/35/11/811643511.db2.gz UBTCYESSINREKZ-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001114042101 811711528 /nfs/dbraw/zinc/71/15/28/811711528.db2.gz WPNCKOIAACCVTE-RFQIPJPRSA-N 2 1 297.399 -0.864 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114042101 811711531 /nfs/dbraw/zinc/71/15/31/811711531.db2.gz WPNCKOIAACCVTE-RFQIPJPRSA-N 2 1 297.399 -0.864 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114042101 811711535 /nfs/dbraw/zinc/71/15/35/811711535.db2.gz WPNCKOIAACCVTE-RFQIPJPRSA-N 2 1 297.399 -0.864 20 0 CBADMP C[C@@H]1CCN(C(=O)c2c3c(nn2C)C[NH2+]C3)C[C@@H]1[NH3+] ZINC001157840657 815470511 /nfs/dbraw/zinc/47/05/11/815470511.db2.gz CMDHTKVUPDMOLX-SCZZXKLOSA-N 2 1 263.345 -0.167 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC[C@H](C[NH3+])[C@@H]1C ZINC001157844902 815470637 /nfs/dbraw/zinc/47/06/37/815470637.db2.gz YGGDEQPHCZAKNF-AXFHLTTASA-N 2 1 271.361 -0.147 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CCC1 ZINC001114406957 811747013 /nfs/dbraw/zinc/74/70/13/811747013.db2.gz OBKAMQLHMQQRTE-GDNZZTSVSA-N 2 1 267.373 -0.491 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114409446 811747316 /nfs/dbraw/zinc/74/73/16/811747316.db2.gz LHHNVSVODZRQTR-UVLXDEKHSA-N 2 1 294.399 -0.881 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114409446 811747320 /nfs/dbraw/zinc/74/73/20/811747320.db2.gz LHHNVSVODZRQTR-UVLXDEKHSA-N 2 1 294.399 -0.881 20 0 CBADMP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114405143 811748253 /nfs/dbraw/zinc/74/82/53/811748253.db2.gz NUXJIMSTJOWIGT-RQJABVFESA-N 2 1 291.399 -0.120 20 0 CBADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114405143 811748259 /nfs/dbraw/zinc/74/82/59/811748259.db2.gz NUXJIMSTJOWIGT-RQJABVFESA-N 2 1 291.399 -0.120 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC)C[C@H]21 ZINC001114487723 811751450 /nfs/dbraw/zinc/75/14/50/811751450.db2.gz AKGNADZMWXDNBD-PJXYFTJBSA-N 2 1 296.415 -0.491 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC)C[C@H]21 ZINC001114487723 811751459 /nfs/dbraw/zinc/75/14/59/811751459.db2.gz AKGNADZMWXDNBD-PJXYFTJBSA-N 2 1 296.415 -0.491 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001114487723 811751465 /nfs/dbraw/zinc/75/14/65/811751465.db2.gz AKGNADZMWXDNBD-PJXYFTJBSA-N 2 1 296.415 -0.491 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001114487723 811751469 /nfs/dbraw/zinc/75/14/69/811751469.db2.gz AKGNADZMWXDNBD-PJXYFTJBSA-N 2 1 296.415 -0.491 20 0 CBADMP NC[C@H]([NH3+])c1ccc(C(=O)N2CCCNC(=O)C2)cc1 ZINC001157891389 815476489 /nfs/dbraw/zinc/47/64/89/815476489.db2.gz YJZIOPXHLBIVRZ-LBPRGKRZSA-N 2 1 276.340 -0.393 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCO ZINC001157899114 815477651 /nfs/dbraw/zinc/47/76/51/815477651.db2.gz KAEKLHWCBORJGH-LBPRGKRZSA-N 2 1 257.378 -0.053 20 0 CBADMP C[NH+]1CCN(c2cccc(-n3cnc(C[NH3+])n3)n2)CC1 ZINC001157928537 815483970 /nfs/dbraw/zinc/48/39/70/815483970.db2.gz ROFODXJAOMSNLZ-UHFFFAOYSA-N 2 1 273.344 -0.127 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCNCC(F)(F)C1 ZINC001157935502 815488558 /nfs/dbraw/zinc/48/85/58/815488558.db2.gz CVJIXZRGVDNUTH-UHFFFAOYSA-N 2 1 276.331 -0.605 20 0 CBADMP [NH3+]Cc1nc(=O)[nH]n1-c1ccc(N2CC[NH2+]CC2)cn1 ZINC001157941035 815489859 /nfs/dbraw/zinc/48/98/59/815489859.db2.gz SHPITEJBLUPUSG-UHFFFAOYSA-N 2 1 275.316 -0.764 20 0 CBADMP O=C(NCCC[NH2+]CCO)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158036918 815500514 /nfs/dbraw/zinc/50/05/14/815500514.db2.gz GMOQETDOJCIYMR-QWHCGFSZSA-N 2 1 269.389 -0.051 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N2CCC3(CC([NH3+])C3)CC2)C1 ZINC001158083277 815503120 /nfs/dbraw/zinc/50/31/20/815503120.db2.gz ZYXWEOZCULHTHZ-KOLCDFICSA-N 2 1 252.362 -0.595 20 0 CBADMP [NH3+]CCCNCC(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160448 815506814 /nfs/dbraw/zinc/50/68/14/815506814.db2.gz KANFGABHFURCBT-ZDUSSCGKSA-N 2 1 254.378 -0.331 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001114773998 812159246 /nfs/dbraw/zinc/15/92/46/812159246.db2.gz GJHJSGWDUKMYFQ-JYAVWHMHSA-N 2 1 294.399 -0.783 20 0 CBADMP Cn1cncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114775007 812159373 /nfs/dbraw/zinc/15/93/73/812159373.db2.gz YGZFDQMWZFLWER-NHAGDIPZSA-N 2 1 291.399 -0.082 20 0 CBADMP Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774422 812159461 /nfs/dbraw/zinc/15/94/61/812159461.db2.gz OATQOKYQLWNHON-IMRBUKKESA-N 2 1 292.387 -0.687 20 0 CBADMP Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774422 812159464 /nfs/dbraw/zinc/15/94/64/812159464.db2.gz OATQOKYQLWNHON-IMRBUKKESA-N 2 1 292.387 -0.687 20 0 CBADMP CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)C1=O ZINC001114778090 812160388 /nfs/dbraw/zinc/16/03/88/812160388.db2.gz FHMKVRFMJGLNRH-KZVDOYCCSA-N 2 1 294.399 -0.785 20 0 CBADMP [NH3+]CCCNCC(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158169765 815508350 /nfs/dbraw/zinc/50/83/50/815508350.db2.gz UNKBJIHXOBSWET-UHFFFAOYSA-N 2 1 254.378 -0.331 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980376 812170479 /nfs/dbraw/zinc/17/04/79/812170479.db2.gz PZCPKFXTWREGKG-CXTNEJHOSA-N 2 1 297.399 -0.864 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980376 812170485 /nfs/dbraw/zinc/17/04/85/812170485.db2.gz PZCPKFXTWREGKG-CXTNEJHOSA-N 2 1 297.399 -0.864 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114991990 812171598 /nfs/dbraw/zinc/17/15/98/812171598.db2.gz MXSHSJFAVULJCH-KZVDOYCCSA-N 2 1 294.399 -0.737 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001114998196 812172213 /nfs/dbraw/zinc/17/22/13/812172213.db2.gz PUFQEBSWJLUBPI-NMKXLXIOSA-N 2 1 269.389 -0.245 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC001115080951 812178320 /nfs/dbraw/zinc/17/83/20/812178320.db2.gz IKCSZEPNLXDQNM-IMRBUKKESA-N 2 1 269.389 -0.243 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001115080951 812178328 /nfs/dbraw/zinc/17/83/28/812178328.db2.gz IKCSZEPNLXDQNM-IMRBUKKESA-N 2 1 269.389 -0.243 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001115080951 812178333 /nfs/dbraw/zinc/17/83/33/812178333.db2.gz IKCSZEPNLXDQNM-IMRBUKKESA-N 2 1 269.389 -0.243 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115081006 812178441 /nfs/dbraw/zinc/17/84/41/812178441.db2.gz JHIYEJOCFIBHDO-MEWQQHAOSA-N 2 1 282.388 -0.752 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115081006 812178448 /nfs/dbraw/zinc/17/84/48/812178448.db2.gz JHIYEJOCFIBHDO-MEWQQHAOSA-N 2 1 282.388 -0.752 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115081006 812178454 /nfs/dbraw/zinc/17/84/54/812178454.db2.gz JHIYEJOCFIBHDO-MEWQQHAOSA-N 2 1 282.388 -0.752 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115081006 812178458 /nfs/dbraw/zinc/17/84/58/812178458.db2.gz JHIYEJOCFIBHDO-MEWQQHAOSA-N 2 1 282.388 -0.752 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001115081845 812178640 /nfs/dbraw/zinc/17/86/40/812178640.db2.gz ZBYUXILHRNATCL-PJXYFTJBSA-N 2 1 255.362 -0.633 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115081845 812178644 /nfs/dbraw/zinc/17/86/44/812178644.db2.gz ZBYUXILHRNATCL-PJXYFTJBSA-N 2 1 255.362 -0.633 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115081845 812178651 /nfs/dbraw/zinc/17/86/51/812178651.db2.gz ZBYUXILHRNATCL-PJXYFTJBSA-N 2 1 255.362 -0.633 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115152460 812182079 /nfs/dbraw/zinc/18/20/79/812182079.db2.gz UPMOONJNFMOLKA-MEWQQHAOSA-N 2 1 282.388 -0.752 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115152460 812182085 /nfs/dbraw/zinc/18/20/85/812182085.db2.gz UPMOONJNFMOLKA-MEWQQHAOSA-N 2 1 282.388 -0.752 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115152460 812182090 /nfs/dbraw/zinc/18/20/90/812182090.db2.gz UPMOONJNFMOLKA-MEWQQHAOSA-N 2 1 282.388 -0.752 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115152460 812182093 /nfs/dbraw/zinc/18/20/93/812182093.db2.gz UPMOONJNFMOLKA-MEWQQHAOSA-N 2 1 282.388 -0.752 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198512 815512705 /nfs/dbraw/zinc/51/27/05/815512705.db2.gz GLIHAYRICGDIFG-LPEHRKFASA-N 2 1 255.318 -0.770 20 0 CBADMP NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115298767 812189739 /nfs/dbraw/zinc/18/97/39/812189739.db2.gz XFUVYMPJJVRJNO-JYAVWHMHSA-N 2 1 294.399 -0.606 20 0 CBADMP NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115298767 812189743 /nfs/dbraw/zinc/18/97/43/812189743.db2.gz XFUVYMPJJVRJNO-JYAVWHMHSA-N 2 1 294.399 -0.606 20 0 CBADMP 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 812191296 /nfs/dbraw/zinc/19/12/96/812191296.db2.gz PFAJCTCHGVEXND-NMKXLXIOSA-N 2 1 269.389 -0.246 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](C)O)C[C@H]21 ZINC001115304193 812191302 /nfs/dbraw/zinc/19/13/02/812191302.db2.gz PFAJCTCHGVEXND-NMKXLXIOSA-N 2 1 269.389 -0.246 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](C)O)C[C@H]21 ZINC001115304193 812191308 /nfs/dbraw/zinc/19/13/08/812191308.db2.gz PFAJCTCHGVEXND-NMKXLXIOSA-N 2 1 269.389 -0.246 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC2(COC2)C1 ZINC001158170040 815509341 /nfs/dbraw/zinc/50/93/41/815509341.db2.gz ZBMALJPJZPVCKZ-UHFFFAOYSA-N 2 1 253.346 -0.423 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)CC2 ZINC001158346632 815521344 /nfs/dbraw/zinc/52/13/44/815521344.db2.gz AWTCIQMOHKBBBF-RYUDHWBXSA-N 2 1 264.329 -0.632 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158379763 815523040 /nfs/dbraw/zinc/52/30/40/815523040.db2.gz HCWWWPXGTGHTBM-QJPTWQEYSA-N 2 1 284.404 -0.443 20 0 CBADMP C[NH+]1CCN(c2ccc(-n3nncc3C[NH3+])nn2)CC1 ZINC001158420137 815526892 /nfs/dbraw/zinc/52/68/92/815526892.db2.gz DEILVRYMSZPLRU-UHFFFAOYSA-N 2 1 274.332 -0.732 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCC[C@@H](C)[NH2+]C ZINC001117966548 812460251 /nfs/dbraw/zinc/46/02/51/812460251.db2.gz KBNTUPVERCNPFY-LLVKDONJSA-N 2 1 260.382 -0.402 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC[NH2+]1 ZINC001118060114 812466749 /nfs/dbraw/zinc/46/67/49/812466749.db2.gz WDPBUJGTVJPZKD-STQMWFEESA-N 2 1 294.399 -0.497 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158421063 815528009 /nfs/dbraw/zinc/52/80/09/815528009.db2.gz RMPCZVLIMDESQH-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2cnnn2C)CC[N@H+]1C ZINC001158421037 815528213 /nfs/dbraw/zinc/52/82/13/815528213.db2.gz QSANWHUVISOCCH-DGCLKSJQSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001118179336 812485583 /nfs/dbraw/zinc/48/55/83/812485583.db2.gz QYUBXKWCBQFANW-YNEHKIRRSA-N 2 1 268.405 -0.147 20 0 CBADMP C[C@@H](C(=O)N1CCC[C@@H](C[NH3+])C1)N1CC[NH+](C)CC1 ZINC001118260587 812510099 /nfs/dbraw/zinc/51/00/99/812510099.db2.gz MAGQEDDDSCKJCA-STQMWFEESA-N 2 1 268.405 -0.180 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)CC[N@H+]1C ZINC001118337472 812534127 /nfs/dbraw/zinc/53/41/27/812534127.db2.gz NYVLODUUWCJIPH-WOPDTQHZSA-N 2 1 256.394 -0.136 20 0 CBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001118486241 812555478 /nfs/dbraw/zinc/55/54/78/812555478.db2.gz JKBVCJYVWGSZCH-MNOVXSKESA-N 2 1 280.372 -0.935 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH2+]C[C@H]2C(F)F)=NO1 ZINC001118505421 812560461 /nfs/dbraw/zinc/56/04/61/812560461.db2.gz CYIOPIQDGQZBRT-XPUUQOCRSA-N 2 1 262.260 -0.845 20 0 CBADMP [NH3+]C[C@H]1CC(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)=NO1 ZINC001118505340 812561021 /nfs/dbraw/zinc/56/10/21/812561021.db2.gz CYIOPIQDGQZBRT-HTRCEHHLSA-N 2 1 262.260 -0.845 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC001118569156 812577764 /nfs/dbraw/zinc/57/77/64/812577764.db2.gz CHGVMGFAQRENEH-CHWSQXEVSA-N 2 1 268.405 -0.262 20 0 CBADMP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3COCC[NH2+]3)C[C@@H]2CF)CC1 ZINC001158577521 815539801 /nfs/dbraw/zinc/53/98/01/815539801.db2.gz ILZSIEFOTGMCGH-AXFHLTTASA-N 2 1 271.336 -0.490 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH+]1CCC(O)CC1 ZINC001118875626 812649397 /nfs/dbraw/zinc/64/93/97/812649397.db2.gz WDERVNLPUMNVRW-UHFFFAOYSA-N 2 1 266.345 -0.236 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001118921324 812663501 /nfs/dbraw/zinc/66/35/01/812663501.db2.gz PXWIDHLJUIMEOM-MNOVXSKESA-N 2 1 258.366 -0.792 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001118931621 812668330 /nfs/dbraw/zinc/66/83/30/812668330.db2.gz FZSYMSRJBHKBOA-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC001119297833 812746870 /nfs/dbraw/zinc/74/68/70/812746870.db2.gz VCSCMKCCFSXOIA-VIFPVBQESA-N 2 1 255.322 -0.924 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119356633 812765401 /nfs/dbraw/zinc/76/54/01/812765401.db2.gz JPXIEQWJSNCXFM-PRULPYPASA-N 2 1 294.399 -0.561 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119370226 812769845 /nfs/dbraw/zinc/76/98/45/812769845.db2.gz IYQUYTLZOFZDGD-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C(C)C ZINC001119369711 812770254 /nfs/dbraw/zinc/77/02/54/812770254.db2.gz FWUDOQMKVQUKQH-HAQNSBGRSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC001119407882 812777012 /nfs/dbraw/zinc/77/70/12/812777012.db2.gz RBOYZSBGEKOKEK-YVECIDJPSA-N 2 1 296.415 -0.029 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001119415703 812778670 /nfs/dbraw/zinc/77/86/70/812778670.db2.gz YOKMIQLZWBUFAP-AXFHLTTASA-N 2 1 280.372 -0.807 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCN1CC=CC1 ZINC001119597310 812826377 /nfs/dbraw/zinc/82/63/77/812826377.db2.gz CDAHXCJNHMZLJN-WCQYABFASA-N 2 1 253.346 -0.571 20 0 CBADMP COCc1[nH]nc2c1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001159090566 815558356 /nfs/dbraw/zinc/55/83/56/815558356.db2.gz FEJIGNSDAFHACH-JTQLQIEISA-N 2 1 281.360 -0.145 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@H]1CNC(=O)C1)C1CC1 ZINC001120277617 812946533 /nfs/dbraw/zinc/94/65/33/812946533.db2.gz LCTSQUKYLQIKIE-ZYHUDNBSSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@H]1CNC(=O)C1)C1CC1 ZINC001120277617 812946540 /nfs/dbraw/zinc/94/65/40/812946540.db2.gz LCTSQUKYLQIKIE-ZYHUDNBSSA-N 2 1 255.362 -0.443 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC1([NH3+])CC1 ZINC001120504214 812977772 /nfs/dbraw/zinc/97/77/72/812977772.db2.gz JBKHXNGLRKWTTJ-NSHDSACASA-N 2 1 269.393 -0.587 20 0 CBADMP [NH3+][C@H]1CN[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001159291168 815567731 /nfs/dbraw/zinc/56/77/31/815567731.db2.gz LTUZKJDOOMXCOA-OLZOCXBDSA-N 2 1 278.400 -0.380 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N2CC3(C2)CC[N@H+](CC2CC2)C3)C1 ZINC001159291168 815567735 /nfs/dbraw/zinc/56/77/35/815567735.db2.gz LTUZKJDOOMXCOA-OLZOCXBDSA-N 2 1 278.400 -0.380 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001159291168 815567739 /nfs/dbraw/zinc/56/77/39/815567739.db2.gz LTUZKJDOOMXCOA-OLZOCXBDSA-N 2 1 278.400 -0.380 20 0 CBADMP N[C@@H](CC[NH3+])C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291108 815567846 /nfs/dbraw/zinc/56/78/46/815567846.db2.gz KSPIRPVJOXWYBR-LBPRGKRZSA-N 2 1 266.389 -0.393 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291108 815567848 /nfs/dbraw/zinc/56/78/48/815567848.db2.gz KSPIRPVJOXWYBR-LBPRGKRZSA-N 3 1 266.389 -0.393 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291108 815567851 /nfs/dbraw/zinc/56/78/51/815567851.db2.gz KSPIRPVJOXWYBR-LBPRGKRZSA-N 3 1 266.389 -0.393 20 0 CBADMP Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc(C2C[NH2+]C2)ncn1 ZINC001159302496 815568755 /nfs/dbraw/zinc/56/87/55/815568755.db2.gz ZJJKZBAHKBYCLE-UHFFFAOYSA-N 2 1 274.328 -0.136 20 0 CBADMP CCN1CC[C@@]2(CN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@@H]2C)C1=O ZINC001159317725 815568898 /nfs/dbraw/zinc/56/88/98/815568898.db2.gz CXCJJYYEVGXUOF-MJVIPROJSA-N 2 1 282.388 -0.621 20 0 CBADMP C[N@@H+](CCNc1nccnc1C[NH3+])CCOCCO ZINC001120957986 813030078 /nfs/dbraw/zinc/03/00/78/813030078.db2.gz CRQRWRXPXDSFAS-UHFFFAOYSA-N 2 1 269.349 -0.712 20 0 CBADMP [NH3+]CCOCCOCCNc1ncnc2c1C[NH2+]C2 ZINC001159444614 815573380 /nfs/dbraw/zinc/57/33/80/815573380.db2.gz KHWSSOMLFAHXEW-UHFFFAOYSA-N 2 1 267.333 -0.516 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1(C[NH3+])CCCC1 ZINC001121895073 813083558 /nfs/dbraw/zinc/08/35/58/813083558.db2.gz AKOKQJNCLDMSMO-NEPJUHHUSA-N 2 1 266.389 -0.238 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1(C[NH3+])CCCC1 ZINC001121895077 813084940 /nfs/dbraw/zinc/08/49/40/813084940.db2.gz AKOKQJNCLDMSMO-RYUDHWBXSA-N 2 1 266.389 -0.238 20 0 CBADMP CC(C)[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001121896181 813086395 /nfs/dbraw/zinc/08/63/95/813086395.db2.gz HLBQGEVQLQPQLR-CHWSQXEVSA-N 2 1 268.405 -0.121 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001121906145 813087309 /nfs/dbraw/zinc/08/73/09/813087309.db2.gz QRFOCGCZNOIOIK-AGIUHOORSA-N 2 1 267.373 -0.368 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121908828 813087740 /nfs/dbraw/zinc/08/77/40/813087740.db2.gz FEIKJIXGVCSLLQ-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121908829 813088129 /nfs/dbraw/zinc/08/81/29/813088129.db2.gz FEIKJIXGVCSLLQ-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC001121925553 813090353 /nfs/dbraw/zinc/09/03/53/813090353.db2.gz APXPXANTMWWVCV-ZFWWWQNUSA-N 2 1 280.416 -0.260 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@]23C[C@H]2CCC[NH2+]3)CC1 ZINC001121926370 813090435 /nfs/dbraw/zinc/09/04/35/813090435.db2.gz MLQFIMCHKSRGHO-HIFRSBDPSA-N 2 1 280.416 -0.118 20 0 CBADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001121989679 813100894 /nfs/dbraw/zinc/10/08/94/813100894.db2.gz VKKFOAFRXVDNBO-MBNYWOFBSA-N 2 1 269.389 -0.053 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC001121998026 813102127 /nfs/dbraw/zinc/10/21/27/813102127.db2.gz NRBPHOFMFXDNFF-DYEKYZERSA-N 2 1 267.373 -0.035 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001122009205 813103728 /nfs/dbraw/zinc/10/37/28/813103728.db2.gz HNFDQCMDHBTARW-ILXRZTDVSA-N 2 1 294.443 -0.014 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[NH2+]CCN1C ZINC001122005759 813104013 /nfs/dbraw/zinc/10/40/13/813104013.db2.gz SUVQBEGJOFDMJD-RTXFEEFZSA-N 2 1 266.389 -0.511 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001122009203 813104340 /nfs/dbraw/zinc/10/43/40/813104340.db2.gz HJWUEZRFERCFRT-UHFFFAOYSA-N 2 1 298.431 -0.770 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001122023199 813106741 /nfs/dbraw/zinc/10/67/41/813106741.db2.gz KYCJPKHOGDOUIW-IUCAKERBSA-N 2 1 251.334 -0.158 20 0 CBADMP [NH3+][C@H](CO)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001122166918 813127291 /nfs/dbraw/zinc/12/72/91/813127291.db2.gz PZTMOLYOMJWGQM-BBBLOLIVSA-N 2 1 259.375 -0.998 20 0 CBADMP O=C(NCC[N@@H+]1CCCOCC1)C12CC(C1)C[NH2+]2 ZINC001122042584 813109424 /nfs/dbraw/zinc/10/94/24/813109424.db2.gz JQODYSCFWISEGR-UHFFFAOYSA-N 2 1 253.346 -0.423 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)C12CC(C1)C[NH2+]2 ZINC001122042584 813109428 /nfs/dbraw/zinc/10/94/28/813109428.db2.gz JQODYSCFWISEGR-UHFFFAOYSA-N 2 1 253.346 -0.423 20 0 CBADMP C[NH+](C)[C@H](C(=O)NC[C@H](O)C[NH3+])c1ccccc1 ZINC001122073574 813113053 /nfs/dbraw/zinc/11/30/53/813113053.db2.gz QEJWYMKQCOAXJO-NEPJUHHUSA-N 2 1 251.330 -0.275 20 0 CBADMP [NH3+]CCNCC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001122079506 813114315 /nfs/dbraw/zinc/11/43/15/813114315.db2.gz OCZGXGVUMWVTHF-ZDUSSCGKSA-N 2 1 268.405 -0.227 20 0 CBADMP C[NH2+]CCOCCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001122089192 813115218 /nfs/dbraw/zinc/11/52/18/813115218.db2.gz RKUOSLANQLXDJE-JTQLQIEISA-N 2 1 254.334 -0.060 20 0 CBADMP C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001122099691 813117173 /nfs/dbraw/zinc/11/71/73/813117173.db2.gz JEQYEBXXYIYPLI-GRYCIOLGSA-N 2 1 257.378 -0.102 20 0 CBADMP Cc1cccc(NCCNC(=O)[C@H]2C[NH2+]CCN2C)[nH+]1 ZINC001122115431 813119091 /nfs/dbraw/zinc/11/90/91/813119091.db2.gz PQUJHFPWOYIJSJ-GFCCVEGCSA-N 2 1 277.372 -0.178 20 0 CBADMP CCC[C@H]1CN(C(=O)CNCC[NH3+])CC[N@H+]1CCOC ZINC001122117413 813120741 /nfs/dbraw/zinc/12/07/41/813120741.db2.gz DZKNMARCEMHAHX-ZDUSSCGKSA-N 2 1 286.420 -0.506 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001122144154 813123767 /nfs/dbraw/zinc/12/37/67/813123767.db2.gz VJWITJPPHLXYRA-XYTAGDGMSA-N 2 1 269.389 -0.056 20 0 CBADMP [NH3+][C@H](CO)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001122166918 813127289 /nfs/dbraw/zinc/12/72/89/813127289.db2.gz PZTMOLYOMJWGQM-BBBLOLIVSA-N 2 1 259.375 -0.998 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001122184962 813129450 /nfs/dbraw/zinc/12/94/50/813129450.db2.gz LBZWEBWGANLZAC-IRCOFANPSA-N 2 1 252.362 -0.677 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCCC[C@@H]1C[NH3+] ZINC001122191047 813130135 /nfs/dbraw/zinc/13/01/35/813130135.db2.gz IFJCNKVFBHLYFH-YNEHKIRRSA-N 2 1 266.389 -0.286 20 0 CBADMP COC(=O)NCCCC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122238307 813137097 /nfs/dbraw/zinc/13/70/97/813137097.db2.gz DRSDMUZPDCTALP-UHFFFAOYSA-N 2 1 286.376 -0.338 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001122238247 813137715 /nfs/dbraw/zinc/13/77/15/813137715.db2.gz BUDKRLUCJMZWQG-LBPRGKRZSA-N 2 1 268.405 -0.133 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001122238247 813137721 /nfs/dbraw/zinc/13/77/21/813137721.db2.gz BUDKRLUCJMZWQG-LBPRGKRZSA-N 3 1 268.405 -0.133 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001122238247 813137723 /nfs/dbraw/zinc/13/77/23/813137723.db2.gz BUDKRLUCJMZWQG-LBPRGKRZSA-N 3 1 268.405 -0.133 20 0 CBADMP CN1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC[N@@H+](C)CC1 ZINC001122291348 813140694 /nfs/dbraw/zinc/14/06/94/813140694.db2.gz RFCFYTFMFWJIGT-OAHLLOKOSA-N 2 1 298.431 -0.803 20 0 CBADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001122378621 813155994 /nfs/dbraw/zinc/15/59/94/813155994.db2.gz ZVGDPOCSSZCUOC-OLZOCXBDSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@]1(C(=O)Nc2cc3n(n2)CC[NH2+]C3)C[C@H](O)C[NH2+]1 ZINC001122376084 813156072 /nfs/dbraw/zinc/15/60/72/813156072.db2.gz VYGAJOCAKCYASM-CABZTGNLSA-N 2 1 265.317 -0.962 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001122378622 813156132 /nfs/dbraw/zinc/15/61/32/813156132.db2.gz ZVGDPOCSSZCUOC-QWHCGFSZSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC[N@@H+](C)CC1 ZINC001122378590 813156323 /nfs/dbraw/zinc/15/63/23/813156323.db2.gz YSHAHWIEVKWEMW-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@@H](NC(=O)C1CC[NH2+]CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001122447126 813165560 /nfs/dbraw/zinc/16/55/60/813165560.db2.gz BILZNJRWOZPZIY-DGCLKSJQSA-N 2 1 268.405 -0.264 20 0 CBADMP C[NH2+]C1CC(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001122449046 813166182 /nfs/dbraw/zinc/16/61/82/813166182.db2.gz RGVDADCHSCQIEQ-XVSSEFHLSA-N 2 1 268.405 -0.265 20 0 CBADMP CS(=O)(=O)c1nc(Cl)cc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159780028 815594605 /nfs/dbraw/zinc/59/46/05/815594605.db2.gz OAZNLOSXZMVIBE-SSDOTTSWSA-N 2 1 293.780 -0.031 20 0 CBADMP CC(C)C(=O)N1CC[C@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC[C@@H]21 ZINC001159783175 815595142 /nfs/dbraw/zinc/59/51/42/815595142.db2.gz UIDOPNSVPOTGHS-AVGNSLFASA-N 2 1 296.415 -0.232 20 0 CBADMP N[C@@H](CCC[NH3+])Nc1nccc(N2CCC([NH3+])CC2)n1 ZINC001159787180 815595819 /nfs/dbraw/zinc/59/58/19/815595819.db2.gz SXWOTTAOZGMJCE-LLVKDONJSA-N 2 1 279.392 -0.160 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@H]1C[N@@H+](C)CCN1C ZINC001122540557 813174266 /nfs/dbraw/zinc/17/42/66/813174266.db2.gz FSRPOXFZXQCZOH-FRRDWIJNSA-N 2 1 268.405 -0.121 20 0 CBADMP O=C([C@H]1CC[NH2+]1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001122535764 813174813 /nfs/dbraw/zinc/17/48/13/813174813.db2.gz HGMUJJUOBVVYPL-WOPDTQHZSA-N 2 1 253.346 -0.594 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)[C@H](CO)C1 ZINC001122540989 813174959 /nfs/dbraw/zinc/17/49/59/813174959.db2.gz JGFBOJSWOFOBDN-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)[C@H](CO)C1 ZINC001122540989 813174962 /nfs/dbraw/zinc/17/49/62/813174962.db2.gz JGFBOJSWOFOBDN-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP Cc1cnc(N[C@@H](N)CCC[NH3+])nc1C1C[NH2+]C1 ZINC001159788114 815596457 /nfs/dbraw/zinc/59/64/57/815596457.db2.gz HMBWBAQMVUEPCD-SNVBAGLBSA-N 2 1 250.350 -0.093 20 0 CBADMP C[NH+]1CCN(c2nccc(N[C@@H]([NH3+])CCC[NH3+])n2)CC1 ZINC001159787909 815596776 /nfs/dbraw/zinc/59/67/76/815596776.db2.gz DROSBRHCKCOETF-LLVKDONJSA-N 3 1 279.392 -0.336 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001159838073 815599833 /nfs/dbraw/zinc/59/98/33/815599833.db2.gz IMPMOZGBAUFJOM-GFCCVEGCSA-N 2 1 284.404 -0.455 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(N)=O)C1 ZINC001159838718 815600079 /nfs/dbraw/zinc/60/00/79/815600079.db2.gz OLYDIFIGDWHDGC-OLZOCXBDSA-N 2 1 298.431 -0.066 20 0 CBADMP CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001159863105 815601465 /nfs/dbraw/zinc/60/14/65/815601465.db2.gz NGPOUMVLKDUIBT-QWRGUYRKSA-N 2 1 282.388 -0.621 20 0 CBADMP CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001159863104 815601662 /nfs/dbraw/zinc/60/16/62/815601662.db2.gz NGPOUMVLKDUIBT-MNOVXSKESA-N 2 1 282.388 -0.621 20 0 CBADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCCC[NH2+]CCCO ZINC001159883130 815603215 /nfs/dbraw/zinc/60/32/15/815603215.db2.gz NZXGOGQFGIBDTE-CYBMUJFWSA-N 2 1 297.403 -0.708 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C)[NH+](C)C ZINC001123494472 813243787 /nfs/dbraw/zinc/24/37/87/813243787.db2.gz MAYYMZAMIKOEOW-WOPDTQHZSA-N 2 1 254.378 -0.559 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001123860985 813280991 /nfs/dbraw/zinc/28/09/91/813280991.db2.gz WGHCPPRLCAGNLY-OCCSQVGLSA-N 2 1 269.389 -0.147 20 0 CBADMP CCn1c(C)nnc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124836889 813486196 /nfs/dbraw/zinc/48/61/96/813486196.db2.gz IPDOSEUJUOXZQX-GFCCVEGCSA-N 2 1 294.403 -0.094 20 0 CBADMP CCn1c(C)nnc1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124836889 813486200 /nfs/dbraw/zinc/48/62/00/813486200.db2.gz IPDOSEUJUOXZQX-GFCCVEGCSA-N 2 1 294.403 -0.094 20 0 CBADMP Cn1cncc1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124836954 813486659 /nfs/dbraw/zinc/48/66/59/813486659.db2.gz JFIPWBGWHMFIDD-GFCCVEGCSA-N 2 1 265.361 -0.280 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001124866945 813489157 /nfs/dbraw/zinc/48/91/57/813489157.db2.gz OAFKMEHOWBSJRU-NSHDSACASA-N 2 1 291.417 -0.779 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001124867017 813489348 /nfs/dbraw/zinc/48/93/48/813489348.db2.gz PZUKSCVJTUYLIW-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP CCCC[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001124867408 813491581 /nfs/dbraw/zinc/49/15/81/813491581.db2.gz VNEKPCAUIWAKHI-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124872566 813491810 /nfs/dbraw/zinc/49/18/10/813491810.db2.gz KMVLKJCLLHVTJY-JTQLQIEISA-N 2 1 266.349 -0.885 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124872566 813491814 /nfs/dbraw/zinc/49/18/14/813491814.db2.gz KMVLKJCLLHVTJY-JTQLQIEISA-N 2 1 266.349 -0.885 20 0 CBADMP C[C@H](O)CCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124879119 813494348 /nfs/dbraw/zinc/49/43/48/813494348.db2.gz QBLCFMQJLMKFDV-NWDGAFQWSA-N 2 1 257.378 -0.053 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125203451 813530742 /nfs/dbraw/zinc/53/07/42/813530742.db2.gz OCSVDUUZACHAIG-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125203451 813530749 /nfs/dbraw/zinc/53/07/49/813530749.db2.gz OCSVDUUZACHAIG-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP Cc1ncccc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125214927 813532546 /nfs/dbraw/zinc/53/25/46/813532546.db2.gz XRTCJLANDCAQPJ-AWEZNQCLSA-N 2 1 292.383 -0.074 20 0 CBADMP Cc1ncccc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125214927 813532553 /nfs/dbraw/zinc/53/25/53/813532553.db2.gz XRTCJLANDCAQPJ-AWEZNQCLSA-N 2 1 292.383 -0.074 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001125222255 813534348 /nfs/dbraw/zinc/53/43/48/813534348.db2.gz UMRGDECKXUHCQH-QWHCGFSZSA-N 2 1 285.388 -0.408 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001125222255 813534352 /nfs/dbraw/zinc/53/43/52/813534352.db2.gz UMRGDECKXUHCQH-QWHCGFSZSA-N 2 1 285.388 -0.408 20 0 CBADMP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220524 813534435 /nfs/dbraw/zinc/53/44/35/813534435.db2.gz IOOYPYQMCLMMKB-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220524 813534441 /nfs/dbraw/zinc/53/44/41/813534441.db2.gz IOOYPYQMCLMMKB-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCCCO2)C1 ZINC001125221661 813535266 /nfs/dbraw/zinc/53/52/66/813535266.db2.gz RSYRDBGTSRKMRM-CHWSQXEVSA-N 2 1 285.388 -0.408 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCCCO2)C1 ZINC001125221661 813535272 /nfs/dbraw/zinc/53/52/72/813535272.db2.gz RSYRDBGTSRKMRM-CHWSQXEVSA-N 2 1 285.388 -0.408 20 0 CBADMP CC[C@@H](F)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220893 813535835 /nfs/dbraw/zinc/53/58/35/813535835.db2.gz MDAAQEWQZXBYLE-MNOVXSKESA-N 2 1 261.341 -0.229 20 0 CBADMP CC[C@@H](F)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220893 813535841 /nfs/dbraw/zinc/53/58/41/813535841.db2.gz MDAAQEWQZXBYLE-MNOVXSKESA-N 2 1 261.341 -0.229 20 0 CBADMP COCCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125226862 813538169 /nfs/dbraw/zinc/53/81/69/813538169.db2.gz JBHSHMGAUNBOLO-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP COCCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125226862 813538178 /nfs/dbraw/zinc/53/81/78/813538178.db2.gz JBHSHMGAUNBOLO-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP CC(C)OCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125226645 813538950 /nfs/dbraw/zinc/53/89/50/813538950.db2.gz FQADFYDXXYPYJC-LBPRGKRZSA-N 2 1 273.377 -0.552 20 0 CBADMP CC(C)OCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125226645 813538956 /nfs/dbraw/zinc/53/89/56/813538956.db2.gz FQADFYDXXYPYJC-LBPRGKRZSA-N 2 1 273.377 -0.552 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C/C=C\Cl)C1 ZINC001125226413 813539257 /nfs/dbraw/zinc/53/92/57/813539257.db2.gz BCFVHCJLPAHQMA-MXQLGCADSA-N 2 1 261.753 -0.225 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C/C=C\Cl)C1 ZINC001125226413 813539259 /nfs/dbraw/zinc/53/92/59/813539259.db2.gz BCFVHCJLPAHQMA-MXQLGCADSA-N 2 1 261.753 -0.225 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127065679 813709256 /nfs/dbraw/zinc/70/92/56/813709256.db2.gz CWTIHIRIXRCMTE-CHWSQXEVSA-N 2 1 287.404 -0.428 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127065682 813709893 /nfs/dbraw/zinc/70/98/93/813709893.db2.gz CWTIHIRIXRCMTE-QWHCGFSZSA-N 2 1 287.404 -0.428 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255598 813721471 /nfs/dbraw/zinc/72/14/71/813721471.db2.gz KDJOUYKQWZTEAQ-MNOVXSKESA-N 2 1 268.361 -0.948 20 0 CBADMP O=C(NCC[NH2+]CCCO)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255356 813721618 /nfs/dbraw/zinc/72/16/18/813721618.db2.gz IWSWIMDFRVPNGC-CHWSQXEVSA-N 2 1 269.389 -0.051 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256543 813722256 /nfs/dbraw/zinc/72/22/56/813722256.db2.gz OVMWIDXPFLZNJD-RYUDHWBXSA-N 2 1 282.388 -0.687 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)[nH]1 ZINC001127480796 813733256 /nfs/dbraw/zinc/73/32/56/813733256.db2.gz MDLQMZRXOXPOIU-LBPRGKRZSA-N 2 1 292.387 -0.339 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCn2cccn2)CC[N@H+]1C ZINC001127643841 813739173 /nfs/dbraw/zinc/73/91/73/813739173.db2.gz NMYRPDAFVZNKOJ-CHWSQXEVSA-N 2 1 279.388 -0.071 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nnnn1C ZINC001127637957 813739417 /nfs/dbraw/zinc/73/94/17/813739417.db2.gz DAEVXHZYKHGHKI-HBNTYKKESA-N 2 1 295.391 -0.683 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nnnn1C ZINC001127637957 813739421 /nfs/dbraw/zinc/73/94/21/813739421.db2.gz DAEVXHZYKHGHKI-HBNTYKKESA-N 2 1 295.391 -0.683 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nn1 ZINC001127644056 813739863 /nfs/dbraw/zinc/73/98/63/813739863.db2.gz SOVQBZOQCIOUFE-DGCLKSJQSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nn1 ZINC001127644056 813739869 /nfs/dbraw/zinc/73/98/69/813739869.db2.gz SOVQBZOQCIOUFE-DGCLKSJQSA-N 2 1 294.403 -0.156 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nncn1C ZINC001127637868 813740269 /nfs/dbraw/zinc/74/02/69/813740269.db2.gz ADQDPGZFEDSIKW-QJPTWQEYSA-N 2 1 294.403 -0.078 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nncn1C ZINC001127637868 813740273 /nfs/dbraw/zinc/74/02/73/813740273.db2.gz ADQDPGZFEDSIKW-QJPTWQEYSA-N 2 1 294.403 -0.078 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCn2cncn2)CC[N@H+]1C ZINC001127701829 813740553 /nfs/dbraw/zinc/74/05/53/813740553.db2.gz YNTNEBFSVUWPBT-QWHCGFSZSA-N 2 1 294.403 -0.286 20 0 CBADMP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127690747 813741615 /nfs/dbraw/zinc/74/16/15/813741615.db2.gz SBMAJPYYLIGMJR-JHJVBQTASA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COC)CC[N@H+]1C ZINC001127701256 813741992 /nfs/dbraw/zinc/74/19/92/813741992.db2.gz LWOQZRLSYGFFGV-FRRDWIJNSA-N 2 1 287.404 -0.570 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(N)=O ZINC001127700734 813742134 /nfs/dbraw/zinc/74/21/34/813742134.db2.gz CNCNNAUJJCWKQY-SDDRHHMPSA-N 2 1 284.404 -0.314 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127685774 813742488 /nfs/dbraw/zinc/74/24/88/813742488.db2.gz TUYUPSZOZMGTGG-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001127653372 813742729 /nfs/dbraw/zinc/74/27/29/813742729.db2.gz UPPXIUJZIOFPBA-DMDPSCGWSA-N 2 1 296.415 -0.301 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)CC[N@H+]1C ZINC001127701701 813742748 /nfs/dbraw/zinc/74/27/48/813742748.db2.gz WNPORHGXFZSDBO-OUAUKWLOSA-N 2 1 270.377 -0.704 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127765279 813747400 /nfs/dbraw/zinc/74/74/00/813747400.db2.gz JNKXCBFSUUUJOS-QWHCGFSZSA-N 2 1 285.388 -0.408 20 0 CBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001128774876 813797580 /nfs/dbraw/zinc/79/75/80/813797580.db2.gz XOQOGJFFNPRMCT-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001128774876 813797586 /nfs/dbraw/zinc/79/75/86/813797586.db2.gz XOQOGJFFNPRMCT-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001128774905 813797731 /nfs/dbraw/zinc/79/77/31/813797731.db2.gz YTWGFIDDMSAZFN-CYBMUJFWSA-N 2 1 294.403 -0.105 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001128779158 813799035 /nfs/dbraw/zinc/79/90/35/813799035.db2.gz PTIRJBATCUXYDB-JTQLQIEISA-N 2 1 256.350 -0.948 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276915 813829043 /nfs/dbraw/zinc/82/90/43/813829043.db2.gz ZRQCXGYDOMCDGO-AGIUHOORSA-N 2 1 294.403 -0.020 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276915 813829051 /nfs/dbraw/zinc/82/90/51/813829051.db2.gz ZRQCXGYDOMCDGO-AGIUHOORSA-N 2 1 294.403 -0.020 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C1 ZINC001129328234 813837105 /nfs/dbraw/zinc/83/71/05/813837105.db2.gz NKMZSZAVRIFZBF-VXGBXAGGSA-N 2 1 284.404 -0.456 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129416696 813839532 /nfs/dbraw/zinc/83/95/32/813839532.db2.gz IMCWBFAKFDJGJN-NSHDSACASA-N 2 1 293.371 -0.398 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001129436748 813841278 /nfs/dbraw/zinc/84/12/78/813841278.db2.gz SDFMOAPXZQAPHR-CYBMUJFWSA-N 2 1 294.403 -0.156 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129421791 813841394 /nfs/dbraw/zinc/84/13/94/813841394.db2.gz CLTFNEDHODUGFU-QWRGUYRKSA-N 2 1 293.371 -0.399 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129423360 813842267 /nfs/dbraw/zinc/84/22/67/813842267.db2.gz SYQBKUSNXPEWFA-ZDUSSCGKSA-N 2 1 296.415 -0.155 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129417837 813842924 /nfs/dbraw/zinc/84/29/24/813842924.db2.gz QHFNCBFOJXAEON-NSHDSACASA-N 2 1 293.371 -0.446 20 0 CBADMP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129423294 813843268 /nfs/dbraw/zinc/84/32/68/813843268.db2.gz RRIRLKQNMPPKAF-MNOVXSKESA-N 2 1 266.345 -0.153 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129437379 813846301 /nfs/dbraw/zinc/84/63/01/813846301.db2.gz ZQXOLHZRVPVLIS-ZDUSSCGKSA-N 2 1 294.403 -0.156 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)NC1CC1 ZINC001129535394 813848927 /nfs/dbraw/zinc/84/89/27/813848927.db2.gz PROLCSCPKAYUQM-LLVKDONJSA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129531637 813851139 /nfs/dbraw/zinc/85/11/39/813851139.db2.gz CWBOQEGAMBJVPN-UHFFFAOYSA-N 2 1 284.404 -0.299 20 0 CBADMP CN1CC[C@@H]([NH2+]CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001129839514 813869590 /nfs/dbraw/zinc/86/95/90/813869590.db2.gz AWROBTJDMYBMBZ-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CCOCCO ZINC001129842456 813869679 /nfs/dbraw/zinc/86/96/79/813869679.db2.gz YDJRHMSKIVAIEN-ZDUSSCGKSA-N 2 1 287.404 -0.425 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CCCO ZINC001129842425 813870466 /nfs/dbraw/zinc/87/04/66/813870466.db2.gz XJPWMWMFJILEEU-GFCCVEGCSA-N 2 1 257.378 -0.051 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129855444 813871289 /nfs/dbraw/zinc/87/12/89/813871289.db2.gz DPNDUUABMSHREK-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129855444 813871295 /nfs/dbraw/zinc/87/12/95/813871295.db2.gz DPNDUUABMSHREK-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129839573 813871762 /nfs/dbraw/zinc/87/17/62/813871762.db2.gz BZSLGZOYXBLVCA-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129854969 813872222 /nfs/dbraw/zinc/87/22/22/813872222.db2.gz ANRFFVYTIMPLFM-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H]2CCCCO2)O1 ZINC001130182477 813914749 /nfs/dbraw/zinc/91/47/49/813914749.db2.gz JYDINQHFNWCJSK-HZSPNIEDSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H]2CCCCO2)O1 ZINC001130182477 813914755 /nfs/dbraw/zinc/91/47/55/813914755.db2.gz JYDINQHFNWCJSK-HZSPNIEDSA-N 2 1 299.415 -0.020 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130188576 813915865 /nfs/dbraw/zinc/91/58/65/813915865.db2.gz GQKUHCVGEUBFBL-RYUDHWBXSA-N 2 1 255.362 -0.299 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnn(C)c2)O1 ZINC001130187466 813916483 /nfs/dbraw/zinc/91/64/83/813916483.db2.gz VTZZHBBWZUMHKO-DGCLKSJQSA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnn(C)c2)O1 ZINC001130187466 813916487 /nfs/dbraw/zinc/91/64/87/813916487.db2.gz VTZZHBBWZUMHKO-DGCLKSJQSA-N 2 1 295.387 -0.655 20 0 CBADMP O=C(NCC[NH2+]CCOCCO)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130189100 813916595 /nfs/dbraw/zinc/91/65/95/813916595.db2.gz NFLHAQZOQIMVGX-KBPBESRZSA-N 2 1 299.415 -0.282 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130189965 813917032 /nfs/dbraw/zinc/91/70/32/813917032.db2.gz UJMNJCWOCWCLSV-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cncn2C)O1 ZINC001130187612 813917203 /nfs/dbraw/zinc/91/72/03/813917203.db2.gz ZTLOXHMXUQECQX-DGCLKSJQSA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cncn2C)O1 ZINC001130187612 813917209 /nfs/dbraw/zinc/91/72/09/813917209.db2.gz ZTLOXHMXUQECQX-DGCLKSJQSA-N 2 1 295.387 -0.655 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC001130303774 813923796 /nfs/dbraw/zinc/92/37/96/813923796.db2.gz JLUXVRWYMKKHSB-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001130303405 813924330 /nfs/dbraw/zinc/92/43/30/813924330.db2.gz BMRGILUQYXHZJI-GFCCVEGCSA-N 2 1 280.376 -0.532 20 0 CBADMP CN(C(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001130297386 813925065 /nfs/dbraw/zinc/92/50/65/813925065.db2.gz LPGZRVXGKCIHFI-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC001130300844 813925082 /nfs/dbraw/zinc/92/50/82/813925082.db2.gz WCYGIUYILZLXDP-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001130300874 813925348 /nfs/dbraw/zinc/92/53/48/813925348.db2.gz WUPZLSXFSBDBJV-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001130300848 813925757 /nfs/dbraw/zinc/92/57/57/813925757.db2.gz WCYGIUYILZLXDP-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)NC1CC1 ZINC001130306058 813927660 /nfs/dbraw/zinc/92/76/60/813927660.db2.gz QIHYFHRLLCCUFN-AAEUAGOBSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001130427354 813939290 /nfs/dbraw/zinc/93/92/90/813939290.db2.gz MSWBJEDPCVZUSQ-JTQLQIEISA-N 2 1 272.393 -0.443 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130710699 813968089 /nfs/dbraw/zinc/96/80/89/813968089.db2.gz AXQGKTRQOYALAI-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001130711085 813968809 /nfs/dbraw/zinc/96/88/09/813968809.db2.gz MXXXWCLTZSUZSB-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001130711432 813968865 /nfs/dbraw/zinc/96/88/65/813968865.db2.gz VEYBHTWCPZZYMO-NSHDSACASA-N 2 1 270.377 -0.702 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C23CCC[NH+]2CCC3)nn1 ZINC001130808516 813983245 /nfs/dbraw/zinc/98/32/45/813983245.db2.gz DVJNSEWDDQECEY-UHFFFAOYSA-N 2 1 292.387 -0.351 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CC(=O)NCC(C)C ZINC001131387302 814026393 /nfs/dbraw/zinc/02/63/93/814026393.db2.gz KGXZEDIDTSZTFC-UHFFFAOYSA-N 2 1 295.387 -0.330 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001131380422 814026823 /nfs/dbraw/zinc/02/68/23/814026823.db2.gz LHVWLASHBZVUEJ-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP CCCC[C@@H]([NH2+]CCNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001131387352 814027100 /nfs/dbraw/zinc/02/71/00/814027100.db2.gz MMZYVXFWCWCQRV-GFCCVEGCSA-N 2 1 295.387 -0.059 20 0 CBADMP CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525977 814037225 /nfs/dbraw/zinc/03/72/25/814037225.db2.gz SSDOPWZWMXWGRQ-LXVYMNJGSA-N 2 1 267.373 -0.035 20 0 CBADMP Cn1nnnc1C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132280456 814120630 /nfs/dbraw/zinc/12/06/30/814120630.db2.gz JXXQOLCZSHMICJ-UHFFFAOYSA-N 2 1 295.391 -0.710 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C[N@@H+]1CCO ZINC001132358738 814134844 /nfs/dbraw/zinc/13/48/44/814134844.db2.gz GWBTWWUEFTWFSJ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C[N@H+]1CCO ZINC001132358738 814134847 /nfs/dbraw/zinc/13/48/47/814134847.db2.gz GWBTWWUEFTWFSJ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NC)C1 ZINC001132737499 814182025 /nfs/dbraw/zinc/18/20/25/814182025.db2.gz NOPIQFLTLZDSQN-GFCCVEGCSA-N 2 1 284.404 -0.440 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001132738047 814182553 /nfs/dbraw/zinc/18/25/53/814182553.db2.gz UMLGPNXDTOLGTF-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCF)C1 ZINC001132848429 814194087 /nfs/dbraw/zinc/19/40/87/814194087.db2.gz HWVFTPSEIOJBTO-LLVKDONJSA-N 2 1 261.341 -0.229 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CCOCCO)CC[N@H+]1C ZINC001132887040 814197064 /nfs/dbraw/zinc/19/70/64/814197064.db2.gz ZULHUJGPQYXYIF-STQMWFEESA-N 2 1 287.404 -0.569 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886127 814198063 /nfs/dbraw/zinc/19/80/63/814198063.db2.gz CWMSWOYAGPONDF-AVGNSLFASA-N 2 1 287.404 -0.570 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2cnn(C)n2)CC[N@@H+]1C ZINC001132886663 814198474 /nfs/dbraw/zinc/19/84/74/814198474.db2.gz QOLWKERWIODBOA-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2cnn(C)n2)CC[N@H+]1C ZINC001132886663 814198477 /nfs/dbraw/zinc/19/84/77/814198477.db2.gz QOLWKERWIODBOA-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)CC2 ZINC001133001197 814208416 /nfs/dbraw/zinc/20/84/16/814208416.db2.gz VITPPYNXSDDPKT-GXSJLCMTSA-N 2 1 293.371 -0.666 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[NH2+]C[C@H](C)O)CC2 ZINC001133004491 814208662 /nfs/dbraw/zinc/20/86/62/814208662.db2.gz BEZNBXIBSPCPRN-JQWIXIFHSA-N 2 1 280.372 -0.159 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133224783 814232588 /nfs/dbraw/zinc/23/25/88/814232588.db2.gz DVQJOBALEWTGKP-STQMWFEESA-N 2 1 298.431 -0.112 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)n1 ZINC001133286080 814235494 /nfs/dbraw/zinc/23/54/94/814235494.db2.gz WHFUUXAGISGOHP-UHFFFAOYSA-N 2 1 279.388 -0.032 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCOCCO ZINC001133819833 814299592 /nfs/dbraw/zinc/29/95/92/814299592.db2.gz PIQUZNMLJMBRTN-LBPRGKRZSA-N 2 1 273.377 -0.815 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001133819845 814299805 /nfs/dbraw/zinc/29/98/05/814299805.db2.gz PNOVMVJZKFEFFI-QWRGUYRKSA-N 2 1 268.361 -0.935 20 0 CBADMP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001133833729 814302811 /nfs/dbraw/zinc/30/28/11/814302811.db2.gz DZLNENUSCCYCTC-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001133833729 814302818 /nfs/dbraw/zinc/30/28/18/814302818.db2.gz DZLNENUSCCYCTC-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001133849636 814306881 /nfs/dbraw/zinc/30/68/81/814306881.db2.gz BBAWOGSVLVCSSX-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001133849637 814306980 /nfs/dbraw/zinc/30/69/80/814306980.db2.gz BDEMDBSMUUICQZ-NEPJUHHUSA-N 2 1 296.415 -0.299 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845520 814308353 /nfs/dbraw/zinc/30/83/53/814308353.db2.gz HYPYJDCHDSIMDY-GFCCVEGCSA-N 2 1 284.404 -0.440 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001133845639 814308686 /nfs/dbraw/zinc/30/86/86/814308686.db2.gz KIECXTQFUHSBEA-VXGBXAGGSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1nncn1C ZINC001133845847 814309216 /nfs/dbraw/zinc/30/92/16/814309216.db2.gz ORPPPYCHLDCHTI-NWDGAFQWSA-N 2 1 294.403 -0.076 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1nncn1C ZINC001133845847 814309225 /nfs/dbraw/zinc/30/92/25/814309225.db2.gz ORPPPYCHLDCHTI-NWDGAFQWSA-N 2 1 294.403 -0.076 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845981 814309422 /nfs/dbraw/zinc/30/94/22/814309422.db2.gz RFUQXVQKSSKIRX-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCc1ccnn1C ZINC001133862328 814309981 /nfs/dbraw/zinc/30/99/81/814309981.db2.gz CORSBCZGLLIIHH-GXTWGEPZSA-N 2 1 293.415 -0.134 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001133863207 814311090 /nfs/dbraw/zinc/31/10/90/814311090.db2.gz KIEVYTZEPVEJRB-NWDGAFQWSA-N 2 1 280.376 -0.818 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001133853432 814311486 /nfs/dbraw/zinc/31/14/86/814311486.db2.gz IUPVVQMJPOIQCP-LBPRGKRZSA-N 2 1 282.388 -0.734 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001133863203 814311637 /nfs/dbraw/zinc/31/16/37/814311637.db2.gz KIEVYTZEPVEJRB-NEPJUHHUSA-N 2 1 280.376 -0.818 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001133865204 814312653 /nfs/dbraw/zinc/31/26/53/814312653.db2.gz AICDHWRQJCNJBU-AAEUAGOBSA-N 2 1 296.415 -0.584 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001133866577 814312714 /nfs/dbraw/zinc/31/27/14/814312714.db2.gz NNCMHBCREGFQES-NEPJUHHUSA-N 2 1 298.431 -0.195 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[NH2+]CCCO)C2 ZINC001133867480 814313955 /nfs/dbraw/zinc/31/39/55/814313955.db2.gz VQLOXWKRUZQSAC-GFCCVEGCSA-N 2 1 280.372 -0.158 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nccn1C ZINC001133866344 814314694 /nfs/dbraw/zinc/31/46/94/814314694.db2.gz LDIIFKXBFAWIFW-VXGBXAGGSA-N 2 1 279.388 -0.176 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nccn1C ZINC001133866344 814314702 /nfs/dbraw/zinc/31/47/02/814314702.db2.gz LDIIFKXBFAWIFW-VXGBXAGGSA-N 2 1 279.388 -0.176 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133867605 814314799 /nfs/dbraw/zinc/31/47/99/814314799.db2.gz VZGZVINSEDRFEX-NWDGAFQWSA-N 2 1 284.404 -0.632 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001133866302 814315104 /nfs/dbraw/zinc/31/51/04/814315104.db2.gz KKVRXAHKJOZQSA-WDEREUQCSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001133866302 814315116 /nfs/dbraw/zinc/31/51/16/814315116.db2.gz KKVRXAHKJOZQSA-WDEREUQCSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nccn1C ZINC001133866341 814315144 /nfs/dbraw/zinc/31/51/44/814315144.db2.gz LDIIFKXBFAWIFW-NEPJUHHUSA-N 2 1 279.388 -0.176 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nccn1C ZINC001133866341 814315150 /nfs/dbraw/zinc/31/51/50/814315150.db2.gz LDIIFKXBFAWIFW-NEPJUHHUSA-N 2 1 279.388 -0.176 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133867604 814315281 /nfs/dbraw/zinc/31/52/81/814315281.db2.gz VZGZVINSEDRFEX-NEPJUHHUSA-N 2 1 284.404 -0.632 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001133865210 814315490 /nfs/dbraw/zinc/31/54/90/814315490.db2.gz AICDHWRQJCNJBU-YPMHNXCESA-N 2 1 296.415 -0.584 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133867276 814316225 /nfs/dbraw/zinc/31/62/25/814316225.db2.gz TUYMDENOYXLFAR-RYUDHWBXSA-N 2 1 257.378 -0.074 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C[N@@H+]2CCC(C)(C)C2)nn1 ZINC001133896686 814319314 /nfs/dbraw/zinc/31/93/14/814319314.db2.gz OKEJFPRQGZLPRN-UHFFFAOYSA-N 2 1 294.403 -0.247 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C[N@H+]2CCC(C)(C)C2)nn1 ZINC001133896686 814319323 /nfs/dbraw/zinc/31/93/23/814319323.db2.gz OKEJFPRQGZLPRN-UHFFFAOYSA-N 2 1 294.403 -0.247 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1)C(=O)N(C)C ZINC001133896676 814319385 /nfs/dbraw/zinc/31/93/85/814319385.db2.gz NZRBIUDGKVJNNE-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133899621 814319519 /nfs/dbraw/zinc/31/95/19/814319519.db2.gz PCNMRENKWBULRL-UHFFFAOYSA-N 2 1 296.419 -0.001 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133899621 814319530 /nfs/dbraw/zinc/31/95/30/814319530.db2.gz PCNMRENKWBULRL-UHFFFAOYSA-N 2 1 296.419 -0.001 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1)C(N)=O ZINC001133896648 814320028 /nfs/dbraw/zinc/32/00/28/814320028.db2.gz MSZSTNCMESZTDN-LLVKDONJSA-N 2 1 284.404 -0.312 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133893492 814320341 /nfs/dbraw/zinc/32/03/41/814320341.db2.gz GUGJZCJJSBACAC-UHFFFAOYSA-N 2 1 284.404 -0.488 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+]CC(N)=O)CC(C)(C)C ZINC001133899702 814320413 /nfs/dbraw/zinc/32/04/13/814320413.db2.gz SSMJEALKGCFNIY-UHFFFAOYSA-N 2 1 258.366 -0.845 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133908040 814322298 /nfs/dbraw/zinc/32/22/98/814322298.db2.gz FBSKKGSVWRETRK-LLVKDONJSA-N 2 1 286.420 -0.195 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133906242 814323043 /nfs/dbraw/zinc/32/30/43/814323043.db2.gz RTNZLALQPASTPA-GFCCVEGCSA-N 2 1 289.420 -0.323 20 0 CBADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(N)=O ZINC001134613063 814400159 /nfs/dbraw/zinc/40/01/59/814400159.db2.gz RWMVQNPKAJSHIB-MNOVXSKESA-N 2 1 284.404 -0.171 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001134762778 814411397 /nfs/dbraw/zinc/41/13/97/814411397.db2.gz GCTVELXUCISBFJ-STQMWFEESA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001134762560 814411714 /nfs/dbraw/zinc/41/17/14/814411714.db2.gz BUXKPYIBODBRGN-VXGBXAGGSA-N 2 1 284.404 -0.171 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135307495 814460162 /nfs/dbraw/zinc/46/01/62/814460162.db2.gz ZYJSWNSVPYHFEX-UHFFFAOYSA-N 2 1 295.387 -0.186 20 0 CBADMP NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001159922918 815604965 /nfs/dbraw/zinc/60/49/65/815604965.db2.gz BALHLIISRFGQBF-SNVBAGLBSA-N 2 1 279.344 -0.658 20 0 CBADMP Cn1cncc1C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135350154 814469080 /nfs/dbraw/zinc/46/90/80/814469080.db2.gz ODZOKIGPWOZBSE-UHFFFAOYSA-N 2 1 295.387 -0.652 20 0 CBADMP C[N@@H+](CC(=O)NCCC[NH2+]CCOCCO)C1CCC1 ZINC001159997612 815607926 /nfs/dbraw/zinc/60/79/26/815607926.db2.gz UGJNBDJAGQSBMG-UHFFFAOYSA-N 2 1 287.404 -0.425 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CCO ZINC001160274813 815614650 /nfs/dbraw/zinc/61/46/50/815614650.db2.gz XIUNIXRBSJNGDS-GFCCVEGCSA-N 2 1 257.378 -0.051 20 0 CBADMP CC(=O)N1CCCC[C@]12CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001160424594 815619102 /nfs/dbraw/zinc/61/91/02/815619102.db2.gz XJAWJOUHYASTJR-GXTWGEPZSA-N 2 1 282.388 -0.334 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001135861222 814532066 /nfs/dbraw/zinc/53/20/66/814532066.db2.gz OBLZZGXGQIITKE-NEPJUHHUSA-N 2 1 286.420 -0.053 20 0 CBADMP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC001140115727 814632150 /nfs/dbraw/zinc/63/21/50/814632150.db2.gz CPVUFMCTEWECAC-RWMBFGLXSA-N 2 1 267.373 -0.252 20 0 CBADMP CC[N@H+]1CC[C@@H]1C(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC001140115727 814632154 /nfs/dbraw/zinc/63/21/54/814632154.db2.gz CPVUFMCTEWECAC-RWMBFGLXSA-N 2 1 267.373 -0.252 20 0 CBADMP CC[NH+]1CC[C@@H]1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001140115727 814632158 /nfs/dbraw/zinc/63/21/58/814632158.db2.gz CPVUFMCTEWECAC-RWMBFGLXSA-N 2 1 267.373 -0.252 20 0 CBADMP CC[NH+]1CC[C@@H]1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001140115727 814632163 /nfs/dbraw/zinc/63/21/63/814632163.db2.gz CPVUFMCTEWECAC-RWMBFGLXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC001141653983 814662998 /nfs/dbraw/zinc/66/29/98/814662998.db2.gz LUKVCSXQAOGJTO-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC001141653982 814663484 /nfs/dbraw/zinc/66/34/84/814663484.db2.gz LUKVCSXQAOGJTO-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H](C)[NH3+])CC[C@@H]2C1 ZINC001159637138 815582306 /nfs/dbraw/zinc/58/23/06/815582306.db2.gz XLGBWTHBZSCBSP-JHJVBQTASA-N 2 1 285.388 -0.471 20 0 CBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H](C)C[NH3+])CC[C@@H]2C1 ZINC001159634776 815582458 /nfs/dbraw/zinc/58/24/58/815582458.db2.gz DEQJNQKUBNLLTQ-BFHYXJOUSA-N 2 1 299.415 -0.223 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(CC[NH3+])S(C)(=O)=O ZINC001142581065 814719421 /nfs/dbraw/zinc/71/94/21/814719421.db2.gz QCDFDPFVKPFEDH-UHFFFAOYSA-N 2 1 251.352 -0.927 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(CC[NH3+])S(C)(=O)=O ZINC001142581065 814719424 /nfs/dbraw/zinc/71/94/24/814719424.db2.gz QCDFDPFVKPFEDH-UHFFFAOYSA-N 2 1 251.352 -0.927 20 0 CBADMP C[NH+]1CC(C(=O)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)C1 ZINC001142594364 814721153 /nfs/dbraw/zinc/72/11/53/814721153.db2.gz JMGZZEYWRIUAOL-OKILXGFUSA-N 2 1 279.384 -0.130 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Cc2cnc[nH]2)C1 ZINC001142904921 814739260 /nfs/dbraw/zinc/73/92/60/814739260.db2.gz PKHAFARRVARINP-NSHDSACASA-N 2 1 293.371 -0.344 20 0 CBADMP CN1CC[NH+](CCC(=O)N2CCOC[C@H]2C[NH+](C)C)CC1 ZINC001143231690 814764375 /nfs/dbraw/zinc/76/43/75/814764375.db2.gz PNCNBZSDMVYKLC-CQSZACIVSA-N 2 1 298.431 -0.587 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333359 814837883 /nfs/dbraw/zinc/83/78/83/814837883.db2.gz NXZQBJDQSXSADK-WDEREUQCSA-N 2 1 295.387 -0.190 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001146709672 814843450 /nfs/dbraw/zinc/84/34/50/814843450.db2.gz ARWCSUKPUOHLQI-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001146704727 814843589 /nfs/dbraw/zinc/84/35/89/814843589.db2.gz HUANHFAYIOYTTN-LLVKDONJSA-N 2 1 282.392 -0.076 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001146704727 814843594 /nfs/dbraw/zinc/84/35/94/814843594.db2.gz HUANHFAYIOYTTN-LLVKDONJSA-N 2 1 282.392 -0.076 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001146710235 814843787 /nfs/dbraw/zinc/84/37/87/814843787.db2.gz GXAYQZKRVJLRNG-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NCC(C)C ZINC001146710267 814844188 /nfs/dbraw/zinc/84/41/88/814844188.db2.gz INVPNGIEPSCQAL-UHFFFAOYSA-N 2 1 286.420 -0.194 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nccn1C ZINC001146719246 814844682 /nfs/dbraw/zinc/84/46/82/814844682.db2.gz MQNDVHOYJKFVSZ-UHFFFAOYSA-N 2 1 267.377 -0.032 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nccn1C ZINC001146719246 814844687 /nfs/dbraw/zinc/84/46/87/814844687.db2.gz MQNDVHOYJKFVSZ-UHFFFAOYSA-N 2 1 267.377 -0.032 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146719586 814844805 /nfs/dbraw/zinc/84/48/05/814844805.db2.gz QUDDBOUAXLHCGU-UHFFFAOYSA-N 2 1 272.393 -0.488 20 0 CBADMP CCCn1nnnc1C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146712025 814845565 /nfs/dbraw/zinc/84/55/65/814845565.db2.gz ZLOXEERBIIFCFK-UHFFFAOYSA-N 2 1 297.407 -0.369 20 0 CBADMP CCCn1nnnc1C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146712025 814845570 /nfs/dbraw/zinc/84/55/70/814845570.db2.gz ZLOXEERBIIFCFK-UHFFFAOYSA-N 2 1 297.407 -0.369 20 0 CBADMP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146719693 814845722 /nfs/dbraw/zinc/84/57/22/814845722.db2.gz UXQAMPNFCWHZEL-LBPRGKRZSA-N 2 1 286.420 -0.051 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1n[nH]nc1C ZINC001147577902 814902299 /nfs/dbraw/zinc/90/22/99/814902299.db2.gz YTTRUFDWAZRDSC-UHFFFAOYSA-N 2 1 267.337 -0.209 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001147877020 814920817 /nfs/dbraw/zinc/92/08/17/814920817.db2.gz CFUIFBIWDYIXPF-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877914 814921891 /nfs/dbraw/zinc/92/18/91/814921891.db2.gz PLTGAYNOAPEBLX-LLVKDONJSA-N 2 1 270.377 -0.878 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001147877632 814921918 /nfs/dbraw/zinc/92/19/18/814921918.db2.gz NDRKEJYUWBWVHS-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP CN1CCC[C@H]([NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001147884258 814922322 /nfs/dbraw/zinc/92/23/22/814922322.db2.gz CJTBARSMYXUARX-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877603 814922432 /nfs/dbraw/zinc/92/24/32/814922432.db2.gz MLEVMGONERBTMU-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CN1CCC[C@@H]([NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001147884257 814922543 /nfs/dbraw/zinc/92/25/43/814922543.db2.gz CJTBARSMYXUARX-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001147878418 814922615 /nfs/dbraw/zinc/92/26/15/814922615.db2.gz YHENBTKZQLCHGG-LBPRGKRZSA-N 2 1 282.388 -0.734 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001147877206 814923134 /nfs/dbraw/zinc/92/31/34/814923134.db2.gz GREMNVRNXGNQIE-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001147877206 814923138 /nfs/dbraw/zinc/92/31/38/814923138.db2.gz GREMNVRNXGNQIE-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP NC(=O)c1ccc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)nn1 ZINC001160511502 815631314 /nfs/dbraw/zinc/63/13/14/815631314.db2.gz NSPQRKGIKZDJMD-ZDUSSCGKSA-N 2 1 276.344 -0.590 20 0 CBADMP NC(=O)c1ccnc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160510382 815631557 /nfs/dbraw/zinc/63/15/57/815631557.db2.gz HVGSNEHVHPHPFI-ZDUSSCGKSA-N 2 1 276.344 -0.590 20 0 CBADMP NC(=O)c1ccc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)nn1 ZINC001160511501 815631782 /nfs/dbraw/zinc/63/17/82/815631782.db2.gz NSPQRKGIKZDJMD-CYBMUJFWSA-N 2 1 276.344 -0.590 20 0 CBADMP CNC(=O)c1ccc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)nn1 ZINC001160517054 815632496 /nfs/dbraw/zinc/63/24/96/815632496.db2.gz AQHRVPHBOLARMK-AWEZNQCLSA-N 2 1 290.371 -0.329 20 0 CBADMP Cn1nnc2c1ncnc2N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160517114 815632635 /nfs/dbraw/zinc/63/26/35/815632635.db2.gz BDRQDPBCFTWESY-ZDUSSCGKSA-N 2 1 288.359 -0.407 20 0 CBADMP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@H](N)CCC[NH3+] ZINC001160539620 815633694 /nfs/dbraw/zinc/63/36/94/815633694.db2.gz YPPCIESEBKXPBS-NXEZZACHSA-N 2 1 278.360 -0.507 20 0 CBADMP CN(CC1(C)COC1)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160545413 815635310 /nfs/dbraw/zinc/63/53/10/815635310.db2.gz RELSRMPLDDWGDW-UHFFFAOYSA-N 2 1 255.362 -0.177 20 0 CBADMP COC(=O)c1cccc2c1CN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001160565770 815638444 /nfs/dbraw/zinc/63/84/44/815638444.db2.gz VLFIVIANDRYOKR-LBPRGKRZSA-N 2 1 277.324 -0.009 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)[C@@H](N)CC[NH3+])CC2)c1 ZINC001160601946 815643723 /nfs/dbraw/zinc/64/37/23/815643723.db2.gz HVORTBWZBRFFNV-LBPRGKRZSA-N 2 1 277.372 -0.285 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)[C@@H](N)C[NH3+])CC2)c1 ZINC001160602115 815643773 /nfs/dbraw/zinc/64/37/73/815643773.db2.gz LBQQGMAHCMPICE-NSHDSACASA-N 2 1 263.345 -0.675 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)CNCC[NH3+])CC2)c1 ZINC001160601858 815644264 /nfs/dbraw/zinc/64/42/64/815644264.db2.gz DUOJBFZRAXDALU-UHFFFAOYSA-N 2 1 277.372 -0.413 20 0 CBADMP COC(=O)[C@@]1(C)CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C1 ZINC001160638013 815647645 /nfs/dbraw/zinc/64/76/45/815647645.db2.gz XJPPSGLQLQLVSX-CABZTGNLSA-N 2 1 257.334 -0.536 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC[C@@H](n2cncn2)C1 ZINC001160637096 815647900 /nfs/dbraw/zinc/64/79/00/815647900.db2.gz JWSYYWSXWKQIDB-CYBMUJFWSA-N 2 1 292.387 -0.217 20 0 CBADMP C[NH+](C)C1(C)CN(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001160644568 815650602 /nfs/dbraw/zinc/65/06/02/815650602.db2.gz HENLKEXVPRCTKS-SNVBAGLBSA-N 2 1 251.334 -0.558 20 0 CBADMP COC(CN(C)C(=O)C[NH2+]C1CC[NH2+]CC1)OC ZINC001160684370 815656820 /nfs/dbraw/zinc/65/68/20/815656820.db2.gz SVSWLQJGZRWNQV-UHFFFAOYSA-N 2 1 259.350 -0.595 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001160687265 815657144 /nfs/dbraw/zinc/65/71/44/815657144.db2.gz BDCHKRZDZWNZMX-GFCCVEGCSA-N 2 1 265.361 -0.166 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC001160694170 815659445 /nfs/dbraw/zinc/65/94/45/815659445.db2.gz RUVUNXOWUDYAEU-ZJUUUORDSA-N 2 1 251.334 -0.208 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C[C@H]2C1 ZINC001160703879 815660086 /nfs/dbraw/zinc/66/00/86/815660086.db2.gz GQZBQFCTXSHNDS-DPNGTGFASA-N 2 1 273.402 -0.898 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@H]2C1 ZINC001160704617 815661946 /nfs/dbraw/zinc/66/19/46/815661946.db2.gz MKTOFZOHUPWOCH-QVHKTLOISA-N 3 1 278.400 -0.795 20 0 CBADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@@H]2CC[NH2+]2)CC1 ZINC001160826195 815674666 /nfs/dbraw/zinc/67/46/66/815674666.db2.gz VACKWFQYZCYKRB-NSHDSACASA-N 2 1 261.329 -0.326 20 0 CBADMP C[NH+](C)C[C@H]1COCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160837222 815676570 /nfs/dbraw/zinc/67/65/70/815676570.db2.gz FLTFARAPONHUQU-ZDUSSCGKSA-N 3 1 284.404 -0.883 20 0 CBADMP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001160840656 815677657 /nfs/dbraw/zinc/67/76/57/815677657.db2.gz YYWGCAPICFUDFG-VXGBXAGGSA-N 2 1 281.360 -0.932 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCOC[C@H]1c1cccnc1 ZINC001160952616 815690228 /nfs/dbraw/zinc/69/02/28/815690228.db2.gz WJSOCZPVWJMMPO-RYUDHWBXSA-N 2 1 264.329 -0.342 20 0 CBADMP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)C2 ZINC001160962866 815691898 /nfs/dbraw/zinc/69/18/98/815691898.db2.gz FXTCTQUDCRXEBQ-HNCHTBHHSA-N 2 1 252.362 -0.914 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161032022 815701523 /nfs/dbraw/zinc/70/15/23/815701523.db2.gz AOGUTTAIDFXHGS-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP CC(=O)[C@@H]1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001161034805 815702166 /nfs/dbraw/zinc/70/21/66/815702166.db2.gz NDHHTFLLAJBLNT-LLVKDONJSA-N 2 1 253.346 -0.235 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001161049229 815703556 /nfs/dbraw/zinc/70/35/56/815703556.db2.gz DHCIQKOMOFOTPQ-VXGBXAGGSA-N 3 1 256.394 -0.006 20 0 CBADMP Cn1cc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C)nn1 ZINC001161041769 815703900 /nfs/dbraw/zinc/70/39/00/815703900.db2.gz LPARZQKGQBJLSO-CYBMUJFWSA-N 2 1 294.403 -0.105 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@]2(N)CC[NH2+]C2)C1 ZINC001161050054 815704003 /nfs/dbraw/zinc/70/40/03/815704003.db2.gz KIONQWBNVPHWEZ-AAEUAGOBSA-N 2 1 254.378 -0.382 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC001161051391 815705043 /nfs/dbraw/zinc/70/50/43/815705043.db2.gz UWNJIYHRVYCIFZ-NEPJUHHUSA-N 2 1 271.361 -0.182 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@]3(N)CCC[NH2+]C3)C[C@@H]21 ZINC001161081135 815708622 /nfs/dbraw/zinc/70/86/22/815708622.db2.gz FSLCARNIYHQSLC-MBNYWOFBSA-N 2 1 266.389 -0.380 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@H]21 ZINC001161081087 815708794 /nfs/dbraw/zinc/70/87/94/815708794.db2.gz DOKHGLARICGYSR-WHOHXGKFSA-N 2 1 252.362 -0.772 20 0 CBADMP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@H]21 ZINC001161081087 815708801 /nfs/dbraw/zinc/70/88/01/815708801.db2.gz DOKHGLARICGYSR-WHOHXGKFSA-N 2 1 252.362 -0.772 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@H]21 ZINC001161081087 815708807 /nfs/dbraw/zinc/70/88/07/815708807.db2.gz DOKHGLARICGYSR-WHOHXGKFSA-N 2 1 252.362 -0.772 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C[C@@H]21 ZINC001161081355 815709421 /nfs/dbraw/zinc/70/94/21/815709421.db2.gz ITJSUPIDGDNUIN-WXHSDQCUSA-N 2 1 277.372 -0.168 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@]3(N)CCC[NH2+]C3)C[C@H]21 ZINC001161081133 815709582 /nfs/dbraw/zinc/70/95/82/815709582.db2.gz FSLCARNIYHQSLC-BZPMIXESSA-N 2 1 266.389 -0.380 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@]3(N)CC[NH2+]C3)C[C@@H]21 ZINC001161080983 815709593 /nfs/dbraw/zinc/70/95/93/815709593.db2.gz AQCWLWTVBRHWDR-NTZNESFSSA-N 2 1 252.362 -0.770 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C[C@@H]21 ZINC001161081447 815709754 /nfs/dbraw/zinc/70/97/54/815709754.db2.gz KHXZYZJDSHXFKM-OSFYFWSMSA-N 2 1 278.400 -0.510 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@@H]21 ZINC001161081871 815711665 /nfs/dbraw/zinc/71/16/65/815711665.db2.gz MHOPJWZWXQOMBP-BJDJZHNGSA-N 2 1 253.346 -0.738 20 0 CBADMP [NH3+]CCN(CCNc1ncnc2c1C[NH2+]C2)N(O)N=O ZINC001161087156 815713145 /nfs/dbraw/zinc/71/31/45/815713145.db2.gz JXHVGNTUAMAPKY-UHFFFAOYSA-N 2 1 282.308 -0.960 20 0 CBADMP C[N@H+]1C[C@H](C(=O)N2CCC(O)CC2)OC2(CC[NH2+]CC2)C1 ZINC001161178448 815725803 /nfs/dbraw/zinc/72/58/03/815725803.db2.gz PPTUMDXBUMDZBP-CYBMUJFWSA-N 2 1 297.399 -0.578 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H](O)C[NH3+])C[C@H]2C1 ZINC001161176444 815726454 /nfs/dbraw/zinc/72/64/54/815726454.db2.gz UYZRSGSQYFWKCE-GRYCIOLGSA-N 2 1 255.362 -0.504 20 0 CBADMP CN(C(=O)C[NH2+]C1CC[NH2+]CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161218669 815728694 /nfs/dbraw/zinc/72/86/94/815728694.db2.gz KKUYGVRSQLAESN-PJXYFTJBSA-N 3 1 252.362 -0.996 20 0 CBADMP CN(C(=O)c1ccc([C@@H]([NH3+])CN)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221372 815728703 /nfs/dbraw/zinc/72/87/03/815728703.db2.gz MLCSZBCSJWFRHH-RFQIPJPRSA-N 2 1 274.368 -0.065 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC[C@H](n2ccnn2)C1 ZINC001161235752 815731775 /nfs/dbraw/zinc/73/17/75/815731775.db2.gz YBPFCTPNOBHBSH-ZDUSSCGKSA-N 2 1 292.387 -0.217 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001161250995 815734084 /nfs/dbraw/zinc/73/40/84/815734084.db2.gz HKYZKGONLJTWOS-UHFFFAOYSA-N 2 1 297.407 -0.464 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001161251325 815734403 /nfs/dbraw/zinc/73/44/03/815734403.db2.gz OMDIZUOFSHRDGC-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP CNC(=O)NC1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001161269172 815735540 /nfs/dbraw/zinc/73/55/40/815735540.db2.gz RRMJCOPFTANCBZ-UHFFFAOYSA-N 2 1 297.403 -0.752 20 0 CBADMP COc1cc(N2CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2)ccn1 ZINC001161306431 815738386 /nfs/dbraw/zinc/73/83/86/815738386.db2.gz LPGOBDOCSZYJBK-LBPRGKRZSA-N 2 1 293.371 -0.585 20 0 CBADMP CCN(C(=O)[C@@H]([NH3+])Cc1c[nH]cn1)[C@@H]1CCC[NH2+]C1 ZINC001161329186 815740042 /nfs/dbraw/zinc/74/00/42/815740042.db2.gz WHCTXJHKBMLQBN-NEPJUHHUSA-N 2 1 265.361 -0.120 20 0 CBADMP CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC001161338337 815744784 /nfs/dbraw/zinc/74/47/84/815744784.db2.gz DWSPZGCUUZTECL-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161381738 815748973 /nfs/dbraw/zinc/74/89/73/815748973.db2.gz ZKVUCMPYNBGHDO-CMPLNLGQSA-N 3 1 254.378 -0.395 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412047 815751832 /nfs/dbraw/zinc/75/18/32/815751832.db2.gz FKLXWOSKLZKZHL-ZDDJMSTPSA-N 2 1 263.345 -0.525 20 0 CBADMP [NH3+][C@H](C(=O)N1CC[N@H+]2CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001161424145 815755569 /nfs/dbraw/zinc/75/55/69/815755569.db2.gz ZQXMKGRRDNCSEX-NEPJUHHUSA-N 3 1 252.362 -0.770 20 0 CBADMP [NH3+][C@H](C(=O)N1CCN2CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001161424145 815755573 /nfs/dbraw/zinc/75/55/73/815755573.db2.gz ZQXMKGRRDNCSEX-NEPJUHHUSA-N 2 1 252.362 -0.770 20 0 CBADMP CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC[C@H]21 ZINC001161483318 815759751 /nfs/dbraw/zinc/75/97/51/815759751.db2.gz LJUKERCOLGIBGB-OUAUKWLOSA-N 2 1 268.361 -0.868 20 0 CBADMP CO[C@@H]1CN(C(=O)c2cnc(C[NH3+])s2)C[C@@H]1[NH3+] ZINC001161493352 815761560 /nfs/dbraw/zinc/76/15/60/815761560.db2.gz MHKUVULEKZHSSA-NKWVEPMBSA-N 2 1 256.331 -0.600 20 0 CBADMP C[N@@H+](C1CN(C(=O)[C@@H]2CC[NH2+]C[C@@H]2F)C1)[C@H]1CCOC1 ZINC001161498612 815762527 /nfs/dbraw/zinc/76/25/27/815762527.db2.gz GMQSSKDQHSJJOM-UHTWSYAYSA-N 2 1 285.363 -0.135 20 0 CBADMP C[C@@H]([NH3+])c1ncc(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)s1 ZINC001161511106 815764731 /nfs/dbraw/zinc/76/47/31/815764731.db2.gz WORFSQIVAZAVNO-VXNVDRBHSA-N 2 1 282.369 -0.038 20 0 CBADMP C[N@@H+](C1CN(C(=O)[C@@]2(C)CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC001161501043 815764955 /nfs/dbraw/zinc/76/49/55/815764955.db2.gz XEBAEQBZIDPNAT-FZMZJTMJSA-N 2 1 267.373 -0.083 20 0 CBADMP Cn1nnc2c1ncnc2NCC[NH+]1CCC([NH3+])CC1 ZINC001161871208 815792668 /nfs/dbraw/zinc/79/26/68/815792668.db2.gz WPXSFFFCOYEPBM-UHFFFAOYSA-N 2 1 276.348 -0.407 20 0 CBADMP CS(=O)(=O)N(CC[NH3+])c1nc(Cl)nc2c1C[NH2+]C2 ZINC001162123816 815802750 /nfs/dbraw/zinc/80/27/50/815802750.db2.gz DVVYPOJUKSLZDK-UHFFFAOYSA-N 2 1 291.764 -0.542 20 0 CBADMP CS(=O)(=O)CCNc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001162317618 815812916 /nfs/dbraw/zinc/81/29/16/815812916.db2.gz HJTROWBLDZYROW-UHFFFAOYSA-N 2 1 285.373 -0.657 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162606247 815837521 /nfs/dbraw/zinc/83/75/21/815837521.db2.gz OCYKMVDPBMKMBB-NSHDSACASA-N 2 1 281.360 -0.578 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001162606744 815837539 /nfs/dbraw/zinc/83/75/39/815837539.db2.gz VNPVAWYTRPZZAJ-GFCCVEGCSA-N 2 1 293.371 -0.434 20 0 CBADMP COC[C@H](O)C[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162605818 815837586 /nfs/dbraw/zinc/83/75/86/815837586.db2.gz IMMFSCHEQQQUHR-GFCCVEGCSA-N 2 1 284.360 -0.705 20 0 CBADMP C[NH+]1CCN(c2cc(N[C@@H]3COC[C@@H]3[NH3+])ncn2)CC1 ZINC001162917837 815848868 /nfs/dbraw/zinc/84/88/68/815848868.db2.gz VDLQWVWWVKEEPI-WDEREUQCSA-N 2 1 278.360 -0.634 20 0 CBADMP O=C1COc2c(cc[nH+]c2NC[C@@]23C[NH2+][C@@H](CO2)C3)N1 ZINC001163191876 815863557 /nfs/dbraw/zinc/86/35/57/815863557.db2.gz UXYHFTUEWCXFRI-AMIZOPFISA-N 2 1 276.296 -0.045 20 0 CBADMP COc1[nH+]ccc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c1N ZINC001163239311 815870638 /nfs/dbraw/zinc/87/06/38/815870638.db2.gz FAKZAULMKGHYSL-PRHODGIISA-N 2 1 263.301 -0.338 20 0 CBADMP COC(=O)c1c[nH+]ccc1N[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163253357 815873669 /nfs/dbraw/zinc/87/36/69/815873669.db2.gz LEVSITVAXBSUAV-MFKMUULPSA-N 2 1 276.296 -0.720 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001292584184 816469295 /nfs/dbraw/zinc/46/92/95/816469295.db2.gz LFDZVUJQSVFRGY-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001292584184 816469299 /nfs/dbraw/zinc/46/92/99/816469299.db2.gz LFDZVUJQSVFRGY-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001292584184 816469304 /nfs/dbraw/zinc/46/93/04/816469304.db2.gz LFDZVUJQSVFRGY-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)Cc1ncc[nH]1 ZINC001292586554 816469789 /nfs/dbraw/zinc/46/97/89/816469789.db2.gz LZVFUMFMXIAGGT-SNVBAGLBSA-N 2 1 279.344 -0.721 20 0 CBADMP CN1CCC[C@@H]1C(=O)NCCNC(=O)Cc1ncc[nH]1 ZINC001292586554 816469793 /nfs/dbraw/zinc/46/97/93/816469793.db2.gz LZVFUMFMXIAGGT-SNVBAGLBSA-N 2 1 279.344 -0.721 20 0 CBADMP C[C@H](Nc1nc(N)[nH+]c(N)n1)[C@@H]1C[N@@H+](C)CCN1C ZINC001307214920 816799382 /nfs/dbraw/zinc/79/93/82/816799382.db2.gz YLMVGNGESLLVHX-YUMQZZPRSA-N 2 1 266.353 -0.918 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001316623472 816872083 /nfs/dbraw/zinc/87/20/83/816872083.db2.gz HVUGUXAWTWLAMD-MCIONIFRSA-N 2 1 299.415 -0.569 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001316791514 816878037 /nfs/dbraw/zinc/87/80/37/816878037.db2.gz PZNFMLJTSUXKFT-TUAOUCFPSA-N 2 1 257.378 -0.102 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)[C@H]2CCNC2=O)C1 ZINC001316851442 816891314 /nfs/dbraw/zinc/89/13/14/816891314.db2.gz WSEIBLQCLCJCEW-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCCC[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001316851442 816891320 /nfs/dbraw/zinc/89/13/20/816891320.db2.gz WSEIBLQCLCJCEW-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001316851442 816891327 /nfs/dbraw/zinc/89/13/27/816891327.db2.gz WSEIBLQCLCJCEW-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)CC(=O)N(C)C)C1 ZINC001316850258 816892922 /nfs/dbraw/zinc/89/29/22/816892922.db2.gz CLGDNZUNACURIP-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCCC[N@H+](C)CC(=O)N(C)C)C1 ZINC001316850258 816892928 /nfs/dbraw/zinc/89/29/28/816892928.db2.gz CLGDNZUNACURIP-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)CC(=O)N(C)C)C1 ZINC001316850258 816892941 /nfs/dbraw/zinc/89/29/41/816892941.db2.gz CLGDNZUNACURIP-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CCCO ZINC001317274720 816956064 /nfs/dbraw/zinc/95/60/64/816956064.db2.gz DCXAVLUAAJHMOG-LBPRGKRZSA-N 2 1 273.377 -0.815 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]C[C@@H](C)O ZINC001317291356 816960372 /nfs/dbraw/zinc/96/03/72/816960372.db2.gz SZNBKOADILUTCK-VHSXEESVSA-N 2 1 254.334 -0.333 20 0 CBADMP CCOCC[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001317390973 816970423 /nfs/dbraw/zinc/97/04/23/816970423.db2.gz PLBCMWWHFFLDPU-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001317390973 816970428 /nfs/dbraw/zinc/97/04/28/816970428.db2.gz PLBCMWWHFFLDPU-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001317578274 817019314 /nfs/dbraw/zinc/01/93/14/817019314.db2.gz JLCLWKSSVVZXDG-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001317578274 817019325 /nfs/dbraw/zinc/01/93/25/817019325.db2.gz JLCLWKSSVVZXDG-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001318161842 817082496 /nfs/dbraw/zinc/08/24/96/817082496.db2.gz RKWJDNFRHBVGKJ-UHFFFAOYSA-N 2 1 299.415 -0.207 20 0 CBADMP C[C@H](O)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001318168799 817082717 /nfs/dbraw/zinc/08/27/17/817082717.db2.gz IVSKVMLPAKIFRN-NWDGAFQWSA-N 2 1 269.389 -0.243 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO ZINC001318228791 817087193 /nfs/dbraw/zinc/08/71/93/817087193.db2.gz ROEYHSOUKFBTIH-RYUDHWBXSA-N 2 1 255.362 -0.396 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO ZINC001318228791 817087200 /nfs/dbraw/zinc/08/72/00/817087200.db2.gz ROEYHSOUKFBTIH-RYUDHWBXSA-N 2 1 255.362 -0.396 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001318228791 817087209 /nfs/dbraw/zinc/08/72/09/817087209.db2.gz ROEYHSOUKFBTIH-RYUDHWBXSA-N 2 1 255.362 -0.396 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001318228791 817087214 /nfs/dbraw/zinc/08/72/14/817087214.db2.gz ROEYHSOUKFBTIH-RYUDHWBXSA-N 2 1 255.362 -0.396 20 0 CBADMP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](C)O ZINC001318225301 817088405 /nfs/dbraw/zinc/08/84/05/817088405.db2.gz XOVSVHNHOJFUNJ-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](C)O ZINC001318225301 817088410 /nfs/dbraw/zinc/08/84/10/817088410.db2.gz XOVSVHNHOJFUNJ-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](C)O ZINC001318225301 817088412 /nfs/dbraw/zinc/08/84/12/817088412.db2.gz XOVSVHNHOJFUNJ-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](C)O ZINC001318225301 817088417 /nfs/dbraw/zinc/08/84/17/817088417.db2.gz XOVSVHNHOJFUNJ-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001318424050 817108336 /nfs/dbraw/zinc/10/83/36/817108336.db2.gz IANXIHQWKNXAKA-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1)[NH+](C)C ZINC001318443115 817110098 /nfs/dbraw/zinc/11/00/98/817110098.db2.gz RNZABSXHCOJKTL-NEPJUHHUSA-N 2 1 257.378 -0.148 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)C[NH2+]CCCO)C1 ZINC001319281215 817184924 /nfs/dbraw/zinc/18/49/24/817184924.db2.gz GKWGHMWXQPBIKC-STQMWFEESA-N 2 1 287.404 -0.569 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)C[NH2+]CCCO)C1 ZINC001319281215 817184929 /nfs/dbraw/zinc/18/49/29/817184929.db2.gz GKWGHMWXQPBIKC-STQMWFEESA-N 2 1 287.404 -0.569 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCO ZINC001319956961 817259661 /nfs/dbraw/zinc/25/96/61/817259661.db2.gz HAYIPCDGOIDZRT-NWDGAFQWSA-N 2 1 257.378 -0.339 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCn1cccn1 ZINC001320204695 817291395 /nfs/dbraw/zinc/29/13/95/817291395.db2.gz QGTPDGPRRXIOMR-STQMWFEESA-N 2 1 295.387 -0.956 20 0 CBADMP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001320238710 817300879 /nfs/dbraw/zinc/30/08/79/817300879.db2.gz RQCRBDDRSNWOJU-NWDGAFQWSA-N 2 1 257.378 -0.054 20 0 CBADMP CCN(CC[NH2+]CC(N)=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001320755661 817387382 /nfs/dbraw/zinc/38/73/82/817387382.db2.gz KVDURXQDTXRYMV-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)C(N)=O ZINC001321057605 817436397 /nfs/dbraw/zinc/43/63/97/817436397.db2.gz QUDQUXKDJQFHSN-QITAHTHBSA-N 2 1 296.415 -0.005 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001253384795 825911212 /nfs/dbraw/zinc/91/12/12/825911212.db2.gz GUQNYQPCCSNDOS-GHMZBOCLSA-N 2 1 257.378 -0.067 20 0 CBADMP [NH3+]C1CCN(c2cc[nH+]c(N3C[C@@H](O)[C@@H](F)C3)n2)CC1 ZINC001164105545 819883530 /nfs/dbraw/zinc/88/35/30/819883530.db2.gz KHPZBIPRCWTWIQ-WDEREUQCSA-N 2 1 281.335 -0.077 20 0 CBADMP CN(c1nc(Cl)nc2c1C[NH2+]C2)S(=O)(=O)CC[NH3+] ZINC001164288027 819900450 /nfs/dbraw/zinc/90/04/50/819900450.db2.gz LXKIFPBPGWMHHJ-UHFFFAOYSA-N 2 1 291.764 -0.542 20 0 CBADMP [NH3+]C1CCN(c2cc[nH+]c(N3C[C@@H](O)[C@H](CO)C3)n2)CC1 ZINC001164546070 819926736 /nfs/dbraw/zinc/92/67/36/819926736.db2.gz YBEIVDDVQNMHIM-CMPLNLGQSA-N 2 1 293.371 -0.807 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CC(N)=O)CC[N@H+]1C ZINC001164574354 819931613 /nfs/dbraw/zinc/93/16/13/819931613.db2.gz IURVPZMZNJVZOT-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001164574388 819931630 /nfs/dbraw/zinc/93/16/30/819931630.db2.gz JRYZSWVRIWQREQ-TUAOUCFPSA-N 2 1 284.404 -0.314 20 0 CBADMP C[NH+]1CCN(c2nccc(N3C[C@H]4C[NH2+][C@@H]4C3)n2)CC1 ZINC001165195150 819943187 /nfs/dbraw/zinc/94/31/87/819943187.db2.gz UNUUDAGRJKEJTE-VXGBXAGGSA-N 2 1 274.372 -0.364 20 0 CBADMP Nc1nc(N2CC(=O)NC3(CC[NH2+]CC3)C2)cc[nH+]1 ZINC001165255632 819944077 /nfs/dbraw/zinc/94/40/77/819944077.db2.gz DCBARANQOJCSKV-UHFFFAOYSA-N 2 1 262.317 -0.883 20 0 CBADMP [NH3+][C@]12C[C@H]1CN(c1cc[nH+]c(N3CCOCC3)n1)C2 ZINC001165316319 819955704 /nfs/dbraw/zinc/95/57/04/819955704.db2.gz XYBUGWDHNPMCST-GWCFXTLKSA-N 2 1 261.329 -0.149 20 0 CBADMP C[NH+]1CCN(c2nccnc2-n2ccnc2CC[NH3+])CC1 ZINC001166298764 819997053 /nfs/dbraw/zinc/99/70/53/819997053.db2.gz CZAKDTJXQUYLGX-UHFFFAOYSA-N 2 1 287.371 -0.085 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166627636 820009139 /nfs/dbraw/zinc/00/91/39/820009139.db2.gz XXQVGEVQOIZEBW-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001166633680 820010030 /nfs/dbraw/zinc/01/00/30/820010030.db2.gz JIYMUSPCSDDUFO-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166668362 820012938 /nfs/dbraw/zinc/01/29/38/820012938.db2.gz ZVACTFFROLMDMA-NSHDSACASA-N 2 1 270.377 -0.830 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CCCO)C1 ZINC001166677788 820013506 /nfs/dbraw/zinc/01/35/06/820013506.db2.gz NDOQWJHWUCSFSY-LBPRGKRZSA-N 2 1 257.378 -0.194 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001166667599 820015102 /nfs/dbraw/zinc/01/51/02/820015102.db2.gz DNYOPCPTBXLEDW-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001166695117 820016236 /nfs/dbraw/zinc/01/62/36/820016236.db2.gz ZYOYZVAZUVXZLJ-STQMWFEESA-N 2 1 287.404 -0.711 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001166678160 820017176 /nfs/dbraw/zinc/01/71/76/820017176.db2.gz UDOKFRAZZVTMCW-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166707965 820018242 /nfs/dbraw/zinc/01/82/42/820018242.db2.gz KSQISNQKSQAYJU-STQMWFEESA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001166715142 820018817 /nfs/dbraw/zinc/01/88/17/820018817.db2.gz SMVMADNZJDLUJE-DGCLKSJQSA-N 2 1 294.403 -0.391 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166708592 820019117 /nfs/dbraw/zinc/01/91/17/820019117.db2.gz UMFVZVBQIXSUMP-OLZOCXBDSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001166707985 820019533 /nfs/dbraw/zinc/01/95/33/820019533.db2.gz LEOPFPLFISNYAR-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CN(C)C(=O)C[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166764883 820035034 /nfs/dbraw/zinc/03/50/34/820035034.db2.gz MHRQSYMBGFQFSJ-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1ccc2c(n1)C[NH2+]CC2 ZINC001167355282 820086595 /nfs/dbraw/zinc/08/65/95/820086595.db2.gz ZNZDLZAAGDDVTN-UHFFFAOYSA-N 2 1 256.313 -0.149 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1ccc(OC2C[NH2+]C2)cn1 ZINC001167362437 820086654 /nfs/dbraw/zinc/08/66/54/820086654.db2.gz VCWNWHFOADWSAE-UHFFFAOYSA-N 2 1 272.312 -0.444 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCCC1(C[NH2+]CCO)CC1 ZINC001167460664 820090834 /nfs/dbraw/zinc/09/08/34/820090834.db2.gz LUTBIZZVNCGIFO-UHFFFAOYSA-N 2 1 299.415 -0.423 20 0 CBADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[NH2+]CC(N)=O ZINC001167588532 820106843 /nfs/dbraw/zinc/10/68/43/820106843.db2.gz SRTDNZCSIWUISZ-UHFFFAOYSA-N 2 1 295.387 -0.022 20 0 CBADMP CNCc1cc(NC(=[NH2+])NCCCC[NH3+])ncn1 ZINC001167880342 820125337 /nfs/dbraw/zinc/12/53/37/820125337.db2.gz IOHBGANLBLFOLO-UHFFFAOYSA-N 2 1 251.338 -0.129 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001168153043 820145162 /nfs/dbraw/zinc/14/51/62/820145162.db2.gz HZCMVASSUKOHPZ-UHFFFAOYSA-N 2 1 293.371 -0.447 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001168136064 820145718 /nfs/dbraw/zinc/14/57/18/820145718.db2.gz FKCIXOYTJJXGSB-LLVKDONJSA-N 2 1 282.388 -0.701 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001168321120 820157805 /nfs/dbraw/zinc/15/78/05/820157805.db2.gz XVECHGQIRRLPDQ-UHFFFAOYSA-N 2 1 284.404 -0.312 20 0 CBADMP Cc1cc(-n2[nH]c(=O)nc2C[NH3+])nc2c1C[NH2+]CC2 ZINC001168756820 820175937 /nfs/dbraw/zinc/17/59/37/820175937.db2.gz TYGPYEBSIONUEE-UHFFFAOYSA-N 2 1 260.301 -0.219 20 0 CBADMP Cc1nc([C@@H]2CCC[NH2+]C2)cc(-n2[nH]c(=O)nc2C[NH3+])n1 ZINC001168756945 820178033 /nfs/dbraw/zinc/17/80/33/820178033.db2.gz YXNPCJCYKLTNMV-SECBINFHSA-N 2 1 289.343 -0.003 20 0 CBADMP COC(=O)[C@H](C[NH3+])CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099723 820207308 /nfs/dbraw/zinc/20/73/08/820207308.db2.gz UHHRFPXBMUPYBV-KKOKHZNYSA-N 2 1 255.362 -0.051 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCC[NH+](CCO)CCO)C2 ZINC001169094528 820207546 /nfs/dbraw/zinc/20/75/46/820207546.db2.gz METFKYJRQBPNFX-QDMKHBRRSA-N 2 1 285.432 -0.122 20 0 CBADMP COC(=O)[C@@H](C[NH3+])CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099725 820207645 /nfs/dbraw/zinc/20/76/45/820207645.db2.gz UHHRFPXBMUPYBV-YFKTTZPYSA-N 2 1 255.362 -0.051 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CC(=O)NC1=O)C2 ZINC001169108054 820209081 /nfs/dbraw/zinc/20/90/81/820209081.db2.gz NNTWQKDBGSEOMR-XWLWVQCSSA-N 2 1 251.330 -0.136 20 0 CBADMP NC(=O)[C@H](CO)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001169329005 820236273 /nfs/dbraw/zinc/23/62/73/820236273.db2.gz UQLRCTKAOXIXPO-JTQLQIEISA-N 2 1 275.312 -0.721 20 0 CBADMP CC(=O)N1CC[C@@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)C1 ZINC001169503857 820249696 /nfs/dbraw/zinc/24/96/96/820249696.db2.gz KHTCSUFANSLPBQ-GHMZBOCLSA-N 2 1 252.318 -0.462 20 0 CBADMP CC(=O)N1CC[C@@H]([NH2+]CCN2CCC[N@H+](C)CC2)C1 ZINC001169507526 820250009 /nfs/dbraw/zinc/25/00/09/820250009.db2.gz TYBLVAWQCYTHLI-CQSZACIVSA-N 2 1 268.405 -0.166 20 0 CBADMP CC(=O)N1CCC[C@H]([NH2+]CCC[NH+](CCO)CCO)C1 ZINC001169573158 820257044 /nfs/dbraw/zinc/25/70/44/820257044.db2.gz CBGIWRUDBVVUKK-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP CC(=O)N1CCC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001169580861 820259098 /nfs/dbraw/zinc/25/90/98/820259098.db2.gz ZILYZBFUABPIEZ-CQSZACIVSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169809980 820266752 /nfs/dbraw/zinc/26/67/52/820266752.db2.gz MVOGBFXMXIPQIM-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001170211956 820279996 /nfs/dbraw/zinc/27/99/96/820279996.db2.gz SVTCZHUDXMAQBB-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001170211492 820280668 /nfs/dbraw/zinc/28/06/68/820280668.db2.gz NVPNAJGBTLHTEB-GFCCVEGCSA-N 2 1 275.393 -0.569 20 0 CBADMP CC[C@@H]([NH2+]CCCNC(=O)CC[N@@H+](C)CC)C(N)=O ZINC001170223456 820283108 /nfs/dbraw/zinc/28/31/08/820283108.db2.gz VPKFTNRDPJSQTG-LLVKDONJSA-N 2 1 272.393 -0.312 20 0 CBADMP CC[C@H]([NH2+]CCCNC(=O)CC[N@@H+](C)CC)C(N)=O ZINC001170223457 820283336 /nfs/dbraw/zinc/28/33/36/820283336.db2.gz VPKFTNRDPJSQTG-NSHDSACASA-N 2 1 272.393 -0.312 20 0 CBADMP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170512189 820297188 /nfs/dbraw/zinc/29/71/88/820297188.db2.gz IHZTVCDSMGJSHN-KXUCPTDWSA-N 2 1 258.318 -0.334 20 0 CBADMP C[C@H](Nc1nc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001170557517 820305976 /nfs/dbraw/zinc/30/59/76/820305976.db2.gz CKBWQPWMNAQMSS-RYUDHWBXSA-N 3 1 292.387 -0.325 20 0 CBADMP C[C@H](Nc1nc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001170557516 820306244 /nfs/dbraw/zinc/30/62/44/820306244.db2.gz CKBWQPWMNAQMSS-NWDGAFQWSA-N 3 1 292.387 -0.325 20 0 CBADMP OC[C@@H]1C[NH2+]C[C@@H]1Nc1nc(Cl)nc2c1C[NH2+]C2 ZINC001170771033 820314482 /nfs/dbraw/zinc/31/44/82/820314482.db2.gz AJZMEBSSZJURPB-XPUUQOCRSA-N 2 1 269.736 -0.275 20 0 CBADMP C[NH+]1CCN(c2ncc(N[C@@H]3C[NH2+]C[C@@H]3CO)cn2)CC1 ZINC001170777878 820321544 /nfs/dbraw/zinc/32/15/44/820321544.db2.gz FLIDEKXUODEMKT-DGCLKSJQSA-N 2 1 292.387 -0.779 20 0 CBADMP [NH3+]C1CCN(c2nc(N[C@@H]3C[NH2+]C[C@H]3CO)cc[nH+]2)CC1 ZINC001170779883 820323130 /nfs/dbraw/zinc/32/31/30/820323130.db2.gz YZRKSTYMLUKVOT-CMPLNLGQSA-N 3 1 292.387 -0.604 20 0 CBADMP N[C@@H](CCC[NH3+])Nc1nccnc1N1CC[NH2+]CC1 ZINC001170894560 820334003 /nfs/dbraw/zinc/33/40/03/820334003.db2.gz KQZYBHCGZBROFP-SNVBAGLBSA-N 2 1 265.365 -0.678 20 0 CBADMP N[C@H](CCC[NH3+])Nc1ncccc1N1CC[NH2+]CC1 ZINC001170898884 820335331 /nfs/dbraw/zinc/33/53/31/820335331.db2.gz RCYKJDQWZPRUMO-LBPRGKRZSA-N 2 1 264.377 -0.073 20 0 CBADMP CN(C)C(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171218774 820350824 /nfs/dbraw/zinc/35/08/24/820350824.db2.gz SYMUHMVBUGDPFM-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001171217392 820350899 /nfs/dbraw/zinc/35/08/99/820350899.db2.gz LTFYMIIOFZAYBI-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001171217486 820351225 /nfs/dbraw/zinc/35/12/25/820351225.db2.gz NTPQYYAURWVYBB-NWDGAFQWSA-N 2 1 282.388 -0.687 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171227364 820351639 /nfs/dbraw/zinc/35/16/39/820351639.db2.gz OTAVWKCTRXTDGC-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171215392 820352278 /nfs/dbraw/zinc/35/22/78/820352278.db2.gz BTRVIYCUKRWBFD-GFCCVEGCSA-N 2 1 284.404 -0.440 20 0 CBADMP C[NH+]1C(C)(C)CC(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1(C)C ZINC001171630082 820365948 /nfs/dbraw/zinc/36/59/48/820365948.db2.gz HWJDWEHHUJRDSF-FRRDWIJNSA-N 2 1 296.463 -0.370 20 0 CBADMP CCN1CC[C@H]([NH2+]CCC[NH+](CCO)CCO)CC1=O ZINC001172024277 820378805 /nfs/dbraw/zinc/37/88/05/820378805.db2.gz WJKIUPSFLKXUDM-ZDUSSCGKSA-N 2 1 287.404 -0.736 20 0 CBADMP CCOC(=O)CN(CC[NH3+])C1C[C@@H]2COC[C@H](C1)[N@@H+]2C ZINC001172129081 820383247 /nfs/dbraw/zinc/38/32/47/820383247.db2.gz RHIHGBFQMLVPHH-YHWZYXNKSA-N 2 1 285.388 -0.328 20 0 CBADMP CCOC(=O)CN(CC[NH3+])C1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001172129081 820383255 /nfs/dbraw/zinc/38/32/55/820383255.db2.gz RHIHGBFQMLVPHH-YHWZYXNKSA-N 2 1 285.388 -0.328 20 0 CBADMP O=C1CC[C@@H]2C[C@H]([NH2+]CCC[NH+](CCO)CCO)CCN12 ZINC001172146481 820384434 /nfs/dbraw/zinc/38/44/34/820384434.db2.gz LVTHLZOKGPJHGK-ZIAGYGMSSA-N 2 1 299.415 -0.594 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=[NH2+])NCCC[C@H](N)C(=O)OC)C1 ZINC001173351504 820400428 /nfs/dbraw/zinc/40/04/28/820400428.db2.gz BRKGRMZNCFHRMR-MNOVXSKESA-N 2 1 285.392 -0.525 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C2CC([NH3+])C2)C[C@@H]1C(=O)OC ZINC001173581832 820407134 /nfs/dbraw/zinc/40/71/34/820407134.db2.gz JUKVIYDUNHCWRJ-VIVCBUSMSA-N 2 1 270.329 -0.194 20 0 CBADMP CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176071523 820437579 /nfs/dbraw/zinc/43/75/79/820437579.db2.gz FNCKGIGUDUWNCS-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1nnnn1C ZINC001176058619 820437736 /nfs/dbraw/zinc/43/77/36/820437736.db2.gz YYHVWDJDBIIIDU-WDEREUQCSA-N 2 1 295.391 -0.681 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001176072488 820437805 /nfs/dbraw/zinc/43/78/05/820437805.db2.gz VYUCSVGCTRWFTI-LBPRGKRZSA-N 2 1 282.388 -0.734 20 0 CBADMP CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001176058095 820437917 /nfs/dbraw/zinc/43/79/17/820437917.db2.gz UKDGYMOQZJVBTM-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001176058438 820438025 /nfs/dbraw/zinc/43/80/25/820438025.db2.gz XJWPWPMWRPGXSA-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CCn1nncc1C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072418 820438948 /nfs/dbraw/zinc/43/89/48/820438948.db2.gz SMFVRHXZQPXGEW-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP Cn1nncc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176072592 820438966 /nfs/dbraw/zinc/43/89/66/820438966.db2.gz ZPOJEXRVTKRDGN-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H](C)COC)C1 ZINC001176636427 820454542 /nfs/dbraw/zinc/45/45/42/820454542.db2.gz OOCWLXGUAIKVNP-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H](C)COC)C1 ZINC001176636427 820454548 /nfs/dbraw/zinc/45/45/48/820454548.db2.gz OOCWLXGUAIKVNP-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176636239 820454739 /nfs/dbraw/zinc/45/47/39/820454739.db2.gz MLMBPUCGMRTVHU-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176636239 820454744 /nfs/dbraw/zinc/45/47/44/820454744.db2.gz MLMBPUCGMRTVHU-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H](C)O)C1 ZINC001176644059 820455349 /nfs/dbraw/zinc/45/53/49/820455349.db2.gz KTKVAVFUKDBJRU-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H](C)O)C1 ZINC001176644059 820455353 /nfs/dbraw/zinc/45/53/53/820455353.db2.gz KTKVAVFUKDBJRU-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001176975424 820484004 /nfs/dbraw/zinc/48/40/04/820484004.db2.gz QIMXTQCUBMZAKH-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001176972028 820484207 /nfs/dbraw/zinc/48/42/07/820484207.db2.gz LDXWVLZHWYEZOP-NSHDSACASA-N 2 1 270.377 -0.689 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178356768 820576920 /nfs/dbraw/zinc/57/69/20/820576920.db2.gz RFPNNGNPHIHYSV-CRWXNKLISA-N 2 1 299.415 -0.333 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178356179 820577642 /nfs/dbraw/zinc/57/76/42/820577642.db2.gz JABUBTXTZXDPTQ-SRVKXCTJSA-N 2 1 282.388 -0.594 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001178700790 820596942 /nfs/dbraw/zinc/59/69/42/820596942.db2.gz BAWGEWGKCZRCIM-JTQLQIEISA-N 2 1 288.352 -0.865 20 0 CBADMP C[NH+]1CCN(CC(=O)n2ccc(C[NH3+])cc2=N)CC1 ZINC001178954136 820609857 /nfs/dbraw/zinc/60/98/57/820609857.db2.gz XESDYWASGOSTIN-UHFFFAOYSA-N 2 1 263.345 -0.686 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@@]2(C)CCC[N@H+](C)C2)CC1 ZINC001178955777 820610091 /nfs/dbraw/zinc/61/00/91/820610091.db2.gz BAFLQGZVAKWWPH-AWEZNQCLSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@@]2(C)CCC[N@@H+](C)C2)CC1 ZINC001178955777 820610095 /nfs/dbraw/zinc/61/00/95/820610095.db2.gz BAFLQGZVAKWWPH-AWEZNQCLSA-N 2 1 268.405 -0.166 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCCCCC[NH2+]CC(N)=O ZINC001179029965 820616406 /nfs/dbraw/zinc/61/64/06/820616406.db2.gz YKVZPWDTRRQJNN-UHFFFAOYSA-N 2 1 295.387 -0.057 20 0 CBADMP C[C@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CC[NH+](C)C ZINC001179472696 820630875 /nfs/dbraw/zinc/63/08/75/820630875.db2.gz SRDKMMZYMVSPNF-AAEUAGOBSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180124606 820650676 /nfs/dbraw/zinc/65/06/76/820650676.db2.gz KPJSOVAEOUGOMR-AVGNSLFASA-N 2 1 296.415 -0.395 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCOC)[C@@H]2C)C1 ZINC001180182982 820654178 /nfs/dbraw/zinc/65/41/78/820654178.db2.gz XXTCDELBCOMGGH-IHRRRGAJSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCOC)[C@@H]2C)C1 ZINC001180182982 820654185 /nfs/dbraw/zinc/65/41/85/820654185.db2.gz XXTCDELBCOMGGH-IHRRRGAJSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)N1CCN(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1 ZINC001180349078 820671022 /nfs/dbraw/zinc/67/10/22/820671022.db2.gz DGTXIBJHKWVCEH-UHFFFAOYSA-N 2 1 298.435 -0.527 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181653332 820807664 /nfs/dbraw/zinc/80/76/64/820807664.db2.gz XXIGNSHLNHUDEG-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181651340 820808000 /nfs/dbraw/zinc/80/80/00/820808000.db2.gz BFHIYAVQKIKKQD-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181823248 820834178 /nfs/dbraw/zinc/83/41/78/820834178.db2.gz ZRKAPDBCHDMKNK-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181823248 820834185 /nfs/dbraw/zinc/83/41/85/820834185.db2.gz ZRKAPDBCHDMKNK-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181823249 820834203 /nfs/dbraw/zinc/83/42/03/820834203.db2.gz ZRKAPDBCHDMKNK-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181823249 820834212 /nfs/dbraw/zinc/83/42/12/820834212.db2.gz ZRKAPDBCHDMKNK-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP CCOCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181821589 820834279 /nfs/dbraw/zinc/83/42/79/820834279.db2.gz COZCZGHQBCKLIR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181821589 820834285 /nfs/dbraw/zinc/83/42/85/820834285.db2.gz COZCZGHQBCKLIR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001181972744 820843234 /nfs/dbraw/zinc/84/32/34/820843234.db2.gz JEOGQLRXHJQJHM-SNVBAGLBSA-N 2 1 277.390 -0.536 20 0 CBADMP C[NH+]1CCC(O)(C(=O)N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001182032776 820854908 /nfs/dbraw/zinc/85/49/08/820854908.db2.gz IWESFODNXYESKG-QWHCGFSZSA-N 2 1 281.400 -0.004 20 0 CBADMP CC(C)[N@@H+]1CC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001182862408 820952108 /nfs/dbraw/zinc/95/21/08/820952108.db2.gz ZQXVFTDPHVWKDY-JTQLQIEISA-N 3 1 255.366 -0.070 20 0 CBADMP CC(C)[N@H+]1CC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001182862408 820952112 /nfs/dbraw/zinc/95/21/12/820952112.db2.gz ZQXVFTDPHVWKDY-JTQLQIEISA-N 3 1 255.366 -0.070 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183289429 820989414 /nfs/dbraw/zinc/98/94/14/820989414.db2.gz XMSAVXPEGUIDQQ-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP COCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185137340 821099896 /nfs/dbraw/zinc/09/98/96/821099896.db2.gz WLOYIZDPPOXSFM-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185137340 821099902 /nfs/dbraw/zinc/09/99/02/821099902.db2.gz WLOYIZDPPOXSFM-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)NCC[NH2+]CCO ZINC001185235201 821104145 /nfs/dbraw/zinc/10/41/45/821104145.db2.gz JAWQPXYAXHWKTH-AWEZNQCLSA-N 2 1 295.383 -0.823 20 0 CBADMP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)NCC[NH2+]CCO ZINC001185235201 821104149 /nfs/dbraw/zinc/10/41/49/821104149.db2.gz JAWQPXYAXHWKTH-AWEZNQCLSA-N 2 1 295.383 -0.823 20 0 CBADMP CC[NH+](CC)CCNC(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001185246110 821109618 /nfs/dbraw/zinc/10/96/18/821109618.db2.gz ZLMPHHPLRYIMAO-LBPRGKRZSA-N 2 1 256.394 -0.310 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001185258207 821113822 /nfs/dbraw/zinc/11/38/22/821113822.db2.gz QNTIUMLONZDREQ-STQMWFEESA-N 2 1 284.404 -0.979 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC(C)([NH+](C)C)C1 ZINC001185257857 821115278 /nfs/dbraw/zinc/11/52/78/821115278.db2.gz NBXSNPWUSLFOLU-NSHDSACASA-N 2 1 254.378 -0.605 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)NCC12CC[NH+](CC1)CC2 ZINC001185266572 821118870 /nfs/dbraw/zinc/11/88/70/821118870.db2.gz BXRXAEJWEUEXOM-ZDUSSCGKSA-N 2 1 280.416 -0.166 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)NCC12CC[NH+](CC1)CC2 ZINC001185266571 821119527 /nfs/dbraw/zinc/11/95/27/821119527.db2.gz BXRXAEJWEUEXOM-CYBMUJFWSA-N 2 1 280.416 -0.166 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[N@H+](C)CCN1C ZINC001185270278 821121081 /nfs/dbraw/zinc/12/10/81/821121081.db2.gz XVVOHXWPUYMLCK-GFCCVEGCSA-N 3 1 298.435 -0.704 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001185270278 821121086 /nfs/dbraw/zinc/12/10/86/821121086.db2.gz XVVOHXWPUYMLCK-GFCCVEGCSA-N 3 1 298.435 -0.704 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185444824 821130482 /nfs/dbraw/zinc/13/04/82/821130482.db2.gz BZFWAKGTFMDDNH-OLZOCXBDSA-N 2 1 298.431 -0.112 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185444823 821131034 /nfs/dbraw/zinc/13/10/34/821131034.db2.gz BZFWAKGTFMDDNH-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001185651349 821136306 /nfs/dbraw/zinc/13/63/06/821136306.db2.gz YPRWYAUEWYVBFZ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185659667 821137897 /nfs/dbraw/zinc/13/78/97/821137897.db2.gz NZBTWDHAIWXYHO-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC001186043905 821153938 /nfs/dbraw/zinc/15/39/38/821153938.db2.gz AZGAOBNONPFFAY-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP CCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC001186043905 821153945 /nfs/dbraw/zinc/15/39/45/821153945.db2.gz AZGAOBNONPFFAY-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP CCC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC001186043905 821153949 /nfs/dbraw/zinc/15/39/49/821153949.db2.gz AZGAOBNONPFFAY-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CC2(C1)CC[NH+](CC1CC1)C2 ZINC001186036711 821154284 /nfs/dbraw/zinc/15/42/84/821154284.db2.gz CDOAUOWZEHGNEK-CQSZACIVSA-N 2 1 293.411 -0.003 20 0 CBADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001186036711 821154289 /nfs/dbraw/zinc/15/42/89/821154289.db2.gz CDOAUOWZEHGNEK-CQSZACIVSA-N 2 1 293.411 -0.003 20 0 CBADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001186036711 821154294 /nfs/dbraw/zinc/15/42/94/821154294.db2.gz CDOAUOWZEHGNEK-CQSZACIVSA-N 2 1 293.411 -0.003 20 0 CBADMP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186038452 821154340 /nfs/dbraw/zinc/15/43/40/821154340.db2.gz QUOWFNMSBARLMN-MNOVXSKESA-N 2 1 291.355 -0.506 20 0 CBADMP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186038452 821154344 /nfs/dbraw/zinc/15/43/44/821154344.db2.gz QUOWFNMSBARLMN-MNOVXSKESA-N 2 1 291.355 -0.506 20 0 CBADMP N=c1sc2c(n1C(=O)C[N@@H+]1CC[C@@H](O)C1)CC[C@H]([NH3+])C2 ZINC001186051484 821163394 /nfs/dbraw/zinc/16/33/94/821163394.db2.gz ZVFZJTCKZWANBW-DTWKUNHWSA-N 2 1 296.396 -0.448 20 0 CBADMP N=c1sc2c(n1C(=O)C[N@H+]1CC[C@@H](O)C1)CC[C@H]([NH3+])C2 ZINC001186051484 821163396 /nfs/dbraw/zinc/16/33/96/821163396.db2.gz ZVFZJTCKZWANBW-DTWKUNHWSA-N 2 1 296.396 -0.448 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC001186115617 821173121 /nfs/dbraw/zinc/17/31/21/821173121.db2.gz GHWPUDYSSMEXFY-QWRGUYRKSA-N 2 1 271.361 -0.452 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC001186115617 821173129 /nfs/dbraw/zinc/17/31/29/821173129.db2.gz GHWPUDYSSMEXFY-QWRGUYRKSA-N 2 1 271.361 -0.452 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001186825070 821198820 /nfs/dbraw/zinc/19/88/20/821198820.db2.gz XXZLJPJVGMRWFY-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001186824963 821199461 /nfs/dbraw/zinc/19/94/61/821199461.db2.gz SKHGPNBLPORKBK-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001186824963 821199467 /nfs/dbraw/zinc/19/94/67/821199467.db2.gz SKHGPNBLPORKBK-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186825008 821199765 /nfs/dbraw/zinc/19/97/65/821199765.db2.gz UXIANYBFUKHQKZ-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001186834478 821200164 /nfs/dbraw/zinc/20/01/64/821200164.db2.gz PCYDQMZFJXAYEM-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N(CCO)CC[NH2+]CCO ZINC001279737196 828337482 /nfs/dbraw/zinc/33/74/82/828337482.db2.gz IPQZDWJEVFNUSE-KBPBESRZSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC1CC1 ZINC001279792051 828338143 /nfs/dbraw/zinc/33/81/43/828338143.db2.gz NXMUKWYDTCNCTJ-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP COCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187825703 822298527 /nfs/dbraw/zinc/29/85/27/822298527.db2.gz RTNAUVMLLHLEFX-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187843097 822300068 /nfs/dbraw/zinc/30/00/68/822300068.db2.gz UAJBZCUTXJDNKC-ZYHUDNBSSA-N 2 1 293.371 -0.483 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+]CCF)CC2)C1 ZINC001281642434 828421875 /nfs/dbraw/zinc/42/18/75/828421875.db2.gz IVFSFIBUWBSYPR-LBPRGKRZSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCO ZINC001281956410 828428692 /nfs/dbraw/zinc/42/86/92/828428692.db2.gz DJXVZDBUDNROGB-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC(C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001282545241 828452095 /nfs/dbraw/zinc/45/20/95/828452095.db2.gz NTGWLGVEIFYPIH-GFCCVEGCSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001282545241 828452099 /nfs/dbraw/zinc/45/20/99/828452099.db2.gz NTGWLGVEIFYPIH-GFCCVEGCSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001282947730 828478271 /nfs/dbraw/zinc/47/82/71/828478271.db2.gz OUBAAQKZYITBJU-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001282947730 828478274 /nfs/dbraw/zinc/47/82/74/828478274.db2.gz OUBAAQKZYITBJU-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001282947730 828478277 /nfs/dbraw/zinc/47/82/77/828478277.db2.gz OUBAAQKZYITBJU-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001282947728 828478576 /nfs/dbraw/zinc/47/85/76/828478576.db2.gz OUBAAQKZYITBJU-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001282947728 828478581 /nfs/dbraw/zinc/47/85/81/828478581.db2.gz OUBAAQKZYITBJU-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001282947728 828478583 /nfs/dbraw/zinc/47/85/83/828478583.db2.gz OUBAAQKZYITBJU-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189391453 823752936 /nfs/dbraw/zinc/75/29/36/823752936.db2.gz YQBKBABOGBPBGD-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189391453 823752940 /nfs/dbraw/zinc/75/29/40/823752940.db2.gz YQBKBABOGBPBGD-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189391453 823752946 /nfs/dbraw/zinc/75/29/46/823752946.db2.gz YQBKBABOGBPBGD-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189391453 823752950 /nfs/dbraw/zinc/75/29/50/823752950.db2.gz YQBKBABOGBPBGD-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001189470144 823757464 /nfs/dbraw/zinc/75/74/64/823757464.db2.gz DDLBOJGDIQNWBB-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001189470144 823757468 /nfs/dbraw/zinc/75/74/68/823757468.db2.gz DDLBOJGDIQNWBB-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517931 823765171 /nfs/dbraw/zinc/76/51/71/823765171.db2.gz WWIRNUFAIHLCFY-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517931 823765178 /nfs/dbraw/zinc/76/51/78/823765178.db2.gz WWIRNUFAIHLCFY-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189517931 823765182 /nfs/dbraw/zinc/76/51/82/823765182.db2.gz WWIRNUFAIHLCFY-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189517931 823765188 /nfs/dbraw/zinc/76/51/88/823765188.db2.gz WWIRNUFAIHLCFY-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001189907071 823787647 /nfs/dbraw/zinc/78/76/47/823787647.db2.gz SPKWCRDDOOHORC-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001189907071 823787654 /nfs/dbraw/zinc/78/76/54/823787654.db2.gz SPKWCRDDOOHORC-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001189907071 823787658 /nfs/dbraw/zinc/78/76/58/823787658.db2.gz SPKWCRDDOOHORC-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001189907071 823787662 /nfs/dbraw/zinc/78/76/62/823787662.db2.gz SPKWCRDDOOHORC-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190777456 823848761 /nfs/dbraw/zinc/84/87/61/823848761.db2.gz USSZCHQMAAAUAK-JSGCOSHPSA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190777456 823848772 /nfs/dbraw/zinc/84/87/72/823848772.db2.gz USSZCHQMAAAUAK-JSGCOSHPSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCCO)C2)O1 ZINC001190900668 823858811 /nfs/dbraw/zinc/85/88/11/823858811.db2.gz QRVPBUWWPKENBD-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCCO)C2)O1 ZINC001190900668 823858814 /nfs/dbraw/zinc/85/88/14/823858814.db2.gz QRVPBUWWPKENBD-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCCO)C2)O1 ZINC001190900668 823858818 /nfs/dbraw/zinc/85/88/18/823858818.db2.gz QRVPBUWWPKENBD-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CCCO)C2)O1 ZINC001190900668 823858827 /nfs/dbraw/zinc/85/88/27/823858827.db2.gz QRVPBUWWPKENBD-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCCO)C2)O1 ZINC001190900668 823858830 /nfs/dbraw/zinc/85/88/30/823858830.db2.gz QRVPBUWWPKENBD-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC(=O)N(C)C)C1)[NH+](C)C ZINC001190898487 823859200 /nfs/dbraw/zinc/85/92/00/823859200.db2.gz CJGJVUVJRPNOMF-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCO)C2)O1 ZINC001190900670 823859257 /nfs/dbraw/zinc/85/92/57/823859257.db2.gz QRVPBUWWPKENBD-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCCO)C2)O1 ZINC001190900670 823859260 /nfs/dbraw/zinc/85/92/60/823859260.db2.gz QRVPBUWWPKENBD-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCCO)C2)O1 ZINC001190900670 823859263 /nfs/dbraw/zinc/85/92/63/823859263.db2.gz QRVPBUWWPKENBD-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCCO)C2)O1 ZINC001190900670 823859265 /nfs/dbraw/zinc/85/92/65/823859265.db2.gz QRVPBUWWPKENBD-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCO)C2)O1 ZINC001190900670 823859269 /nfs/dbraw/zinc/85/92/69/823859269.db2.gz QRVPBUWWPKENBD-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CC(=O)NC)C1 ZINC001191019633 823868689 /nfs/dbraw/zinc/86/86/89/823868689.db2.gz PGGVWEPSRJDFGN-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CC(=O)NC)C1 ZINC001191019633 823868694 /nfs/dbraw/zinc/86/86/94/823868694.db2.gz PGGVWEPSRJDFGN-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC)C1 ZINC001191019633 823868700 /nfs/dbraw/zinc/86/87/00/823868700.db2.gz PGGVWEPSRJDFGN-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC)C1 ZINC001191019633 823868705 /nfs/dbraw/zinc/86/87/05/823868705.db2.gz PGGVWEPSRJDFGN-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016711 823938176 /nfs/dbraw/zinc/93/81/76/823938176.db2.gz JHKVWDZZCQZPNP-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045307 823942665 /nfs/dbraw/zinc/94/26/65/823942665.db2.gz CATPIJYSUKQHCK-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192134066 823949984 /nfs/dbraw/zinc/94/99/84/823949984.db2.gz GGZPBMMKYDGRRO-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192134066 823949996 /nfs/dbraw/zinc/94/99/96/823949996.db2.gz GGZPBMMKYDGRRO-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)N2CCC2)C1 ZINC001192144991 823952274 /nfs/dbraw/zinc/95/22/74/823952274.db2.gz YYDMPVBNVUYNDJ-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N2CCC2)C1 ZINC001192144991 823952278 /nfs/dbraw/zinc/95/22/78/823952278.db2.gz YYDMPVBNVUYNDJ-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC2CC2)C1 ZINC001192161035 823952672 /nfs/dbraw/zinc/95/26/72/823952672.db2.gz GJLJMHQXVYOTPI-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC2CC2)C1 ZINC001192161035 823952681 /nfs/dbraw/zinc/95/26/81/823952681.db2.gz GJLJMHQXVYOTPI-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001192160841 823952909 /nfs/dbraw/zinc/95/29/09/823952909.db2.gz FMDYXWAYDDOFSA-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001192160838 823954397 /nfs/dbraw/zinc/95/43/97/823954397.db2.gz FMDYXWAYDDOFSA-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192385064 823961631 /nfs/dbraw/zinc/96/16/31/823961631.db2.gz DCORJQVEYPZWPP-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192385064 823961642 /nfs/dbraw/zinc/96/16/42/823961642.db2.gz DCORJQVEYPZWPP-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001192948235 823993289 /nfs/dbraw/zinc/99/32/89/823993289.db2.gz QXYRWVWRTZPUMO-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NC)C1 ZINC001192970861 823994682 /nfs/dbraw/zinc/99/46/82/823994682.db2.gz ZJTYFPULCYPAFD-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP COCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001284470467 828599334 /nfs/dbraw/zinc/59/93/34/828599334.db2.gz VGQZPGOZQARLDG-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001284467506 828599897 /nfs/dbraw/zinc/59/98/97/828599897.db2.gz JUKYFTHTEXQGER-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001284467506 828599899 /nfs/dbraw/zinc/59/98/99/828599899.db2.gz JUKYFTHTEXQGER-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001284468888 828600003 /nfs/dbraw/zinc/60/00/03/828600003.db2.gz OZOOZMNIDHNNTP-OLZOCXBDSA-N 2 1 269.389 -0.243 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC(=O)N(C)C)C1 ZINC001193293114 824019425 /nfs/dbraw/zinc/01/94/25/824019425.db2.gz XWXCZAPQTQUAHN-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC(=O)N(C)C)C1 ZINC001193293114 824019428 /nfs/dbraw/zinc/01/94/28/824019428.db2.gz XWXCZAPQTQUAHN-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)N(C)C)C1 ZINC001193293114 824019431 /nfs/dbraw/zinc/01/94/31/824019431.db2.gz XWXCZAPQTQUAHN-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N(C)C)C1 ZINC001193293114 824019434 /nfs/dbraw/zinc/01/94/34/824019434.db2.gz XWXCZAPQTQUAHN-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H]2CCNC2=O)C1 ZINC001193293250 824019474 /nfs/dbraw/zinc/01/94/74/824019474.db2.gz ZFFZGDOUZNCVLW-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC001193293250 824019480 /nfs/dbraw/zinc/01/94/80/824019480.db2.gz ZFFZGDOUZNCVLW-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001193293250 824019486 /nfs/dbraw/zinc/01/94/86/824019486.db2.gz ZFFZGDOUZNCVLW-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001193570183 824035173 /nfs/dbraw/zinc/03/51/73/824035173.db2.gz HJXMUQKGPPTMHP-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001193570183 824035177 /nfs/dbraw/zinc/03/51/77/824035177.db2.gz HJXMUQKGPPTMHP-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O)C1CC1 ZINC001193781754 824045073 /nfs/dbraw/zinc/04/50/73/824045073.db2.gz OODROBASSLDQDX-UPJWGTAASA-N 2 1 287.379 -0.153 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774936 824045603 /nfs/dbraw/zinc/04/56/03/824045603.db2.gz YHXNPVRIOMZAKT-YNEHKIRRSA-N 2 1 299.415 -0.333 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193791855 824046564 /nfs/dbraw/zinc/04/65/64/824046564.db2.gz RSFQRJLQBSIODB-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193791854 824046614 /nfs/dbraw/zinc/04/66/14/824046614.db2.gz RSFQRJLQBSIODB-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039195 824055960 /nfs/dbraw/zinc/05/59/60/824055960.db2.gz LJXQLUOZTPYNNN-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194036704 824056950 /nfs/dbraw/zinc/05/69/50/824056950.db2.gz COOGCNBJCYJSAO-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039200 824057175 /nfs/dbraw/zinc/05/71/75/824057175.db2.gz LJXQLUOZTPYNNN-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001194118834 824060990 /nfs/dbraw/zinc/06/09/90/824060990.db2.gz JVLCCICXMJJHRT-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001194118834 824060995 /nfs/dbraw/zinc/06/09/95/824060995.db2.gz JVLCCICXMJJHRT-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001194118834 824060999 /nfs/dbraw/zinc/06/09/99/824060999.db2.gz JVLCCICXMJJHRT-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001194118834 824061003 /nfs/dbraw/zinc/06/10/03/824061003.db2.gz JVLCCICXMJJHRT-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@@H]2CCNC2=O)C1 ZINC001194283484 824067262 /nfs/dbraw/zinc/06/72/62/824067262.db2.gz CBCIAMLWGNBDSZ-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001194283484 824067269 /nfs/dbraw/zinc/06/72/69/824067269.db2.gz CBCIAMLWGNBDSZ-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001194283484 824067277 /nfs/dbraw/zinc/06/72/77/824067277.db2.gz CBCIAMLWGNBDSZ-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001194285945 824067448 /nfs/dbraw/zinc/06/74/48/824067448.db2.gz VLDJSXNPKGESTM-LLVKDONJSA-N 2 1 270.377 -0.655 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001194285945 824067453 /nfs/dbraw/zinc/06/74/53/824067453.db2.gz VLDJSXNPKGESTM-LLVKDONJSA-N 2 1 270.377 -0.655 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001194285945 824067457 /nfs/dbraw/zinc/06/74/57/824067457.db2.gz VLDJSXNPKGESTM-LLVKDONJSA-N 2 1 270.377 -0.655 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001194285945 824067458 /nfs/dbraw/zinc/06/74/58/824067458.db2.gz VLDJSXNPKGESTM-LLVKDONJSA-N 2 1 270.377 -0.655 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O ZINC001195850209 824134613 /nfs/dbraw/zinc/13/46/13/824134613.db2.gz HCSOBURYUHBELC-ZIAGYGMSSA-N 2 1 292.383 -0.305 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001195850209 824134614 /nfs/dbraw/zinc/13/46/14/824134614.db2.gz HCSOBURYUHBELC-ZIAGYGMSSA-N 2 1 292.383 -0.305 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001195859742 824134635 /nfs/dbraw/zinc/13/46/35/824134635.db2.gz OAMRAVORMHWTLI-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871144 824135259 /nfs/dbraw/zinc/13/52/59/824135259.db2.gz LZVVZKFRQLSFAH-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195981051 824140318 /nfs/dbraw/zinc/14/03/18/824140318.db2.gz MNKHOPYQMGRXTO-JHJVBQTASA-N 2 1 287.404 -0.620 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001196177059 824150926 /nfs/dbraw/zinc/15/09/26/824150926.db2.gz RNXCBJFYTDJNRS-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001196177059 824150929 /nfs/dbraw/zinc/15/09/29/824150929.db2.gz RNXCBJFYTDJNRS-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001196177059 824150933 /nfs/dbraw/zinc/15/09/33/824150933.db2.gz RNXCBJFYTDJNRS-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001196177059 824150935 /nfs/dbraw/zinc/15/09/35/824150935.db2.gz RNXCBJFYTDJNRS-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O)CC(C)(C)C ZINC001196222660 824153311 /nfs/dbraw/zinc/15/33/11/824153311.db2.gz WKQCBYXMFCNTND-VXGBXAGGSA-N 2 1 287.404 -0.882 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)CC(C)(C)C ZINC001196222660 824153312 /nfs/dbraw/zinc/15/33/12/824153312.db2.gz WKQCBYXMFCNTND-VXGBXAGGSA-N 2 1 287.404 -0.882 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196307593 824155760 /nfs/dbraw/zinc/15/57/60/824155760.db2.gz PWGXXKPXOOEKMR-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001196970394 824174605 /nfs/dbraw/zinc/17/46/05/824174605.db2.gz BVPMTQRMLKGKGE-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001196970394 824174606 /nfs/dbraw/zinc/17/46/06/824174606.db2.gz BVPMTQRMLKGKGE-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC001197043578 824176617 /nfs/dbraw/zinc/17/66/17/824176617.db2.gz IPFCVZAIKUMJBO-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001197043578 824176620 /nfs/dbraw/zinc/17/66/20/824176620.db2.gz IPFCVZAIKUMJBO-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@H]1O ZINC001197048513 824177171 /nfs/dbraw/zinc/17/71/71/824177171.db2.gz CLDGGBGZAMSFQG-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319356 824188280 /nfs/dbraw/zinc/18/82/80/824188280.db2.gz BCBNLIOPYUMRII-ZIAGYGMSSA-N 2 1 299.415 -0.333 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@H]1O ZINC001197493431 824193630 /nfs/dbraw/zinc/19/36/30/824193630.db2.gz MTPHTQVAMFLGMG-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001197493431 824193632 /nfs/dbraw/zinc/19/36/32/824193632.db2.gz MTPHTQVAMFLGMG-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001197493431 824193633 /nfs/dbraw/zinc/19/36/33/824193633.db2.gz MTPHTQVAMFLGMG-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCCN([C@@H](C)C(=O)NC)CC1 ZINC001197705607 824198513 /nfs/dbraw/zinc/19/85/13/824198513.db2.gz BCDPVFFSSUTZDX-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC001197705607 824198515 /nfs/dbraw/zinc/19/85/15/824198515.db2.gz BCDPVFFSSUTZDX-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC001197705607 824198519 /nfs/dbraw/zinc/19/85/19/824198519.db2.gz BCDPVFFSSUTZDX-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC)CC1 ZINC001197705607 824198523 /nfs/dbraw/zinc/19/85/23/824198523.db2.gz BCDPVFFSSUTZDX-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC)CC1 ZINC001197705607 824198526 /nfs/dbraw/zinc/19/85/26/824198526.db2.gz BCDPVFFSSUTZDX-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]CCCO)C1 ZINC001284818711 828623416 /nfs/dbraw/zinc/62/34/16/828623416.db2.gz PPGKLYVLKADCQQ-PNESKVBLSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1O ZINC001198048799 824216616 /nfs/dbraw/zinc/21/66/16/824216616.db2.gz ZRFWITJMASNCDQ-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1O ZINC001198048799 824216620 /nfs/dbraw/zinc/21/66/20/824216620.db2.gz ZRFWITJMASNCDQ-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1O ZINC001198048799 824216627 /nfs/dbraw/zinc/21/66/27/824216627.db2.gz ZRFWITJMASNCDQ-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198097399 824218609 /nfs/dbraw/zinc/21/86/09/824218609.db2.gz ACDNCQCWLOTEJV-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@@H](O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001198097399 824218618 /nfs/dbraw/zinc/21/86/18/824218618.db2.gz ACDNCQCWLOTEJV-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@@H](O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001198097399 824218623 /nfs/dbraw/zinc/21/86/23/824218623.db2.gz ACDNCQCWLOTEJV-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198282541 824222740 /nfs/dbraw/zinc/22/27/40/824222740.db2.gz CMJMHSNZBSAAKS-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198282541 824222748 /nfs/dbraw/zinc/22/27/48/824222748.db2.gz CMJMHSNZBSAAKS-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001198282541 824222753 /nfs/dbraw/zinc/22/27/53/824222753.db2.gz CMJMHSNZBSAAKS-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001198282541 824222757 /nfs/dbraw/zinc/22/27/57/824222757.db2.gz CMJMHSNZBSAAKS-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198699947 824236694 /nfs/dbraw/zinc/23/66/94/824236694.db2.gz ZKYZCJJPKFLPML-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104418 824248629 /nfs/dbraw/zinc/24/86/29/824248629.db2.gz MHQFAAJOONOGMV-VXGBXAGGSA-N 2 1 273.377 -0.866 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199104418 824248632 /nfs/dbraw/zinc/24/86/32/824248632.db2.gz MHQFAAJOONOGMV-VXGBXAGGSA-N 2 1 273.377 -0.866 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199104418 824248637 /nfs/dbraw/zinc/24/86/37/824248637.db2.gz MHQFAAJOONOGMV-VXGBXAGGSA-N 2 1 273.377 -0.866 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)[NH+]1CCCC1 ZINC001199129063 824248860 /nfs/dbraw/zinc/24/88/60/824248860.db2.gz WUEPHZZCFDRKDR-MCIONIFRSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[NH+]1CCCC1 ZINC001199129063 824248865 /nfs/dbraw/zinc/24/88/65/824248865.db2.gz WUEPHZZCFDRKDR-MCIONIFRSA-N 2 1 299.415 -0.740 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111570 824249885 /nfs/dbraw/zinc/24/98/85/824249885.db2.gz BPMMYOLLZGENGZ-YNEHKIRRSA-N 2 1 287.404 -0.477 20 0 CBADMP CO[C@@H](C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111570 824249892 /nfs/dbraw/zinc/24/98/92/824249892.db2.gz BPMMYOLLZGENGZ-YNEHKIRRSA-N 2 1 287.404 -0.477 20 0 CBADMP CO[C@@H](C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111570 824249900 /nfs/dbraw/zinc/24/99/00/824249900.db2.gz BPMMYOLLZGENGZ-YNEHKIRRSA-N 2 1 287.404 -0.477 20 0 CBADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001199370271 824264339 /nfs/dbraw/zinc/26/43/39/824264339.db2.gz SOBNEPANIHDWHN-ZIAGYGMSSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001199787872 824288106 /nfs/dbraw/zinc/28/81/06/824288106.db2.gz GJGQPVQATCQSKD-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199788754 824289396 /nfs/dbraw/zinc/28/93/96/824289396.db2.gz YZSSBQPCNQZIQV-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001200122431 824307635 /nfs/dbraw/zinc/30/76/35/824307635.db2.gz DLOZBCLZHNHSGP-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001200122439 824307984 /nfs/dbraw/zinc/30/79/84/824307984.db2.gz DLOZBCLZHNHSGP-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)CC[N@H+]1C ZINC001200546383 824321756 /nfs/dbraw/zinc/32/17/56/824321756.db2.gz CQXVBIGSSCLFRW-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201931209 824339187 /nfs/dbraw/zinc/33/91/87/824339187.db2.gz JCKMGFGOBLOESP-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP COCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202056752 824340188 /nfs/dbraw/zinc/34/01/88/824340188.db2.gz BKIBREPMOOSYOB-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001202056663 824340818 /nfs/dbraw/zinc/34/08/18/824340818.db2.gz ARWRACBIIMJUOE-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1CCC(=O)N1 ZINC001202843132 824352572 /nfs/dbraw/zinc/35/25/72/824352572.db2.gz FKIAKJLMRAOTOO-HZSPNIEDSA-N 2 1 280.416 -0.025 20 0 CBADMP C[NH+](C)CCCN1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC001202878377 824353788 /nfs/dbraw/zinc/35/37/88/824353788.db2.gz NUZLPBMKXNITKU-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001203015646 824357222 /nfs/dbraw/zinc/35/72/22/824357222.db2.gz ZIWKVQXYYHNPAC-QWHCGFSZSA-N 2 1 268.405 -0.215 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC001203442994 824362240 /nfs/dbraw/zinc/36/22/40/824362240.db2.gz OYLCHPWYBVJKFA-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001203924563 824363773 /nfs/dbraw/zinc/36/37/73/824363773.db2.gz CVNYKRPYHKMEQI-UHFFFAOYSA-N 2 1 270.377 -0.608 20 0 CBADMP COCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204876133 824372330 /nfs/dbraw/zinc/37/23/30/824372330.db2.gz OOJRTXMLEAYIRZ-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876133 824372336 /nfs/dbraw/zinc/37/23/36/824372336.db2.gz OOJRTXMLEAYIRZ-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@@H+](CC[C@@H]2C[NH2+]CCO2)CC1 ZINC001205209315 824375503 /nfs/dbraw/zinc/37/55/03/824375503.db2.gz IMQISOQGYMHJOS-OLZOCXBDSA-N 3 1 257.378 -0.459 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@@H+](CC[C@@H]2C[NH2+]CCO2)CC1 ZINC001205209312 824375532 /nfs/dbraw/zinc/37/55/32/824375532.db2.gz IMQISOQGYMHJOS-CHWSQXEVSA-N 3 1 257.378 -0.459 20 0 CBADMP N[C@@H]1NC(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)=CS1 ZINC001205209372 824375611 /nfs/dbraw/zinc/37/56/11/824375611.db2.gz IZGJCKSZKYJHRQ-MNOVXSKESA-N 2 1 258.391 -0.418 20 0 CBADMP Nc1ncc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cn1 ZINC001205220058 824376360 /nfs/dbraw/zinc/37/63/60/824376360.db2.gz JPMSPNBZOWTBJD-LBPRGKRZSA-N 2 1 251.334 -0.266 20 0 CBADMP Nc1cnc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cn1 ZINC001205247164 824376451 /nfs/dbraw/zinc/37/64/51/824376451.db2.gz CCASATIZZHVWHL-GFCCVEGCSA-N 2 1 251.334 -0.266 20 0 CBADMP C[C@@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@H]1C[NH3+] ZINC001205638840 824380706 /nfs/dbraw/zinc/38/07/06/824380706.db2.gz SMNDFGLENZLIII-NEPJUHHUSA-N 2 1 294.399 -0.109 20 0 CBADMP [NH3+]C[C@]1(O)CCCCN(Cc2cnc3n2CC[NH2+]C3)C1 ZINC001205735032 824384147 /nfs/dbraw/zinc/38/41/47/824384147.db2.gz JCBYPOKGSRLOJX-CQSZACIVSA-N 2 1 279.388 -0.338 20 0 CBADMP CC(C)(CN1CC[C@@H](O)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001206080821 824391757 /nfs/dbraw/zinc/39/17/57/824391757.db2.gz GPSXNPAGJKYSPI-VXGBXAGGSA-N 2 1 257.378 -0.509 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(=O)n(C)c1=O ZINC001206184113 824394592 /nfs/dbraw/zinc/39/45/92/824394592.db2.gz HPRSFUPEACKBAL-MNOVXSKESA-N 2 1 284.335 -0.655 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001206274574 824396523 /nfs/dbraw/zinc/39/65/23/824396523.db2.gz JTOJYKUQTYDZKL-GFCCVEGCSA-N 2 1 296.415 -0.358 20 0 CBADMP Cn1nnc2cc(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)ccc21 ZINC001206524941 824401704 /nfs/dbraw/zinc/40/17/04/824401704.db2.gz BNSWNIWTCJVFIY-GWCFXTLKSA-N 2 1 261.329 -0.280 20 0 CBADMP Cn1nnc2cc(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)ccc21 ZINC001206524941 824401708 /nfs/dbraw/zinc/40/17/08/824401708.db2.gz BNSWNIWTCJVFIY-GWCFXTLKSA-N 2 1 261.329 -0.280 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(CCO)cc2)C[C@@H]1O ZINC001206530952 824402789 /nfs/dbraw/zinc/40/27/89/824402789.db2.gz XWLUOCXOZWHWSQ-KBPBESRZSA-N 2 1 250.342 -0.027 20 0 CBADMP COCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001206739214 824406639 /nfs/dbraw/zinc/40/66/39/824406639.db2.gz AWHAQFOHTKFITJ-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP COCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001206739214 824406640 /nfs/dbraw/zinc/40/66/40/824406640.db2.gz AWHAQFOHTKFITJ-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP COCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001206739214 824406642 /nfs/dbraw/zinc/40/66/42/824406642.db2.gz AWHAQFOHTKFITJ-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP COCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001206739214 824406644 /nfs/dbraw/zinc/40/66/44/824406644.db2.gz AWHAQFOHTKFITJ-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP CNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206927766 824412786 /nfs/dbraw/zinc/41/27/86/824412786.db2.gz PEODKGZOAMNSSR-ZDUSSCGKSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH2+]CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001206952150 824414147 /nfs/dbraw/zinc/41/41/47/824414147.db2.gz ALINGLXDMJNJRI-UHFFFAOYSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH+]1CCC(C[N@H+]2CCN3C(=O)COC[C@@H]3C2)CC1 ZINC001207399572 824426687 /nfs/dbraw/zinc/42/66/87/824426687.db2.gz MZCYBUNGAIZZAU-ZDUSSCGKSA-N 2 1 267.373 -0.129 20 0 CBADMP COC(=O)[C@H]1C[N@H+](C)CCN1CC1CC[NH2+]CC1 ZINC001207441416 824427888 /nfs/dbraw/zinc/42/78/88/824427888.db2.gz BBGXJEAGNPSFST-GFCCVEGCSA-N 2 1 255.362 -0.225 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](C)CCN1CC1CC[NH2+]CC1 ZINC001207441416 824427890 /nfs/dbraw/zinc/42/78/90/824427890.db2.gz BBGXJEAGNPSFST-GFCCVEGCSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207616939 824432331 /nfs/dbraw/zinc/43/23/31/824432331.db2.gz KKOFPTNLNQHIHM-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207616939 824432334 /nfs/dbraw/zinc/43/23/34/824432334.db2.gz KKOFPTNLNQHIHM-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207616939 824432335 /nfs/dbraw/zinc/43/23/35/824432335.db2.gz KKOFPTNLNQHIHM-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207616939 824432339 /nfs/dbraw/zinc/43/23/39/824432339.db2.gz KKOFPTNLNQHIHM-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207684212 824434356 /nfs/dbraw/zinc/43/43/56/824434356.db2.gz KNUUJWUGHJMKOU-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP COCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207734421 824437911 /nfs/dbraw/zinc/43/79/11/824437911.db2.gz HOWZJDFVEJHWLW-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207734421 824437915 /nfs/dbraw/zinc/43/79/15/824437915.db2.gz HOWZJDFVEJHWLW-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208407824 824451510 /nfs/dbraw/zinc/45/15/10/824451510.db2.gz LTVZEBZFAMRACY-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208407824 824451511 /nfs/dbraw/zinc/45/15/11/824451511.db2.gz LTVZEBZFAMRACY-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441872 824453166 /nfs/dbraw/zinc/45/31/66/824453166.db2.gz UAVLOAGZCCTFSM-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441872 824453170 /nfs/dbraw/zinc/45/31/70/824453170.db2.gz UAVLOAGZCCTFSM-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492174 824454042 /nfs/dbraw/zinc/45/40/42/824454042.db2.gz GFULVNBSQXFCIJ-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208490962 824454231 /nfs/dbraw/zinc/45/42/31/824454231.db2.gz QXRPINYDFPWJJS-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208490962 824454233 /nfs/dbraw/zinc/45/42/33/824454233.db2.gz QXRPINYDFPWJJS-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208490865 824454461 /nfs/dbraw/zinc/45/44/61/824454461.db2.gz LDXOTOKWETVSPO-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208490865 824454465 /nfs/dbraw/zinc/45/44/65/824454465.db2.gz LDXOTOKWETVSPO-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208491977 824454590 /nfs/dbraw/zinc/45/45/90/824454590.db2.gz BQCWBONBYBWWER-GMTAPVOTSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208491977 824454593 /nfs/dbraw/zinc/45/45/93/824454593.db2.gz BQCWBONBYBWWER-GMTAPVOTSA-N 2 1 270.377 -0.752 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495918 824455174 /nfs/dbraw/zinc/45/51/74/824455174.db2.gz CUQABQIQBGKPJQ-UTUOFQBUSA-N 2 1 284.404 -0.362 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208527335 824455606 /nfs/dbraw/zinc/45/56/06/824455606.db2.gz LJXRZUFZBDVGRZ-YRGRVCCFSA-N 2 1 298.431 -0.245 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208527335 824455608 /nfs/dbraw/zinc/45/56/08/824455608.db2.gz LJXRZUFZBDVGRZ-YRGRVCCFSA-N 2 1 298.431 -0.245 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208698603 824456253 /nfs/dbraw/zinc/45/62/53/824456253.db2.gz GEACGGCFQSVUPV-UPJWGTAASA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208698603 824456254 /nfs/dbraw/zinc/45/62/54/824456254.db2.gz GEACGGCFQSVUPV-UPJWGTAASA-N 2 1 298.431 -0.101 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001208992951 824460733 /nfs/dbraw/zinc/46/07/33/824460733.db2.gz FCCUDBWCQZPXNX-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1CC[C@@H]2CN(CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209211006 824464026 /nfs/dbraw/zinc/46/40/26/824464026.db2.gz VOYYEHLHPGOCET-ZIAGYGMSSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209211006 824464027 /nfs/dbraw/zinc/46/40/27/824464027.db2.gz VOYYEHLHPGOCET-ZIAGYGMSSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209211006 824464030 /nfs/dbraw/zinc/46/40/30/824464030.db2.gz VOYYEHLHPGOCET-ZIAGYGMSSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209211006 824464032 /nfs/dbraw/zinc/46/40/32/824464032.db2.gz VOYYEHLHPGOCET-ZIAGYGMSSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209211006 824464033 /nfs/dbraw/zinc/46/40/33/824464033.db2.gz VOYYEHLHPGOCET-ZIAGYGMSSA-N 2 1 299.415 -0.256 20 0 CBADMP Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001209454947 824471917 /nfs/dbraw/zinc/47/19/17/824471917.db2.gz POJQFBMQOJQAJN-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001209632144 824473422 /nfs/dbraw/zinc/47/34/22/824473422.db2.gz KGGYWLULCDOGAH-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1C ZINC001209642027 824474264 /nfs/dbraw/zinc/47/42/64/824474264.db2.gz ACSPPHVAKAIFQI-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1C ZINC001209642027 824474266 /nfs/dbraw/zinc/47/42/66/824474266.db2.gz ACSPPHVAKAIFQI-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC)[NH+](C)C ZINC001212455245 824508188 /nfs/dbraw/zinc/50/81/88/824508188.db2.gz MVFIXKIJLQTUPY-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342089 824510909 /nfs/dbraw/zinc/51/09/09/824510909.db2.gz GPBZALLOKXKPBA-YNEHKIRRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1OC ZINC001213597097 824512477 /nfs/dbraw/zinc/51/24/77/824512477.db2.gz UKOPHHUMMUVAIG-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730037 824514706 /nfs/dbraw/zinc/51/47/06/824514706.db2.gz BVYKXVHILWBBKV-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213859727 824516429 /nfs/dbraw/zinc/51/64/29/824516429.db2.gz IVQRLBJHAXHXAF-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213859727 824516432 /nfs/dbraw/zinc/51/64/32/824516432.db2.gz IVQRLBJHAXHXAF-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213859727 824516435 /nfs/dbraw/zinc/51/64/35/824516435.db2.gz IVQRLBJHAXHXAF-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214389409 824530648 /nfs/dbraw/zinc/53/06/48/824530648.db2.gz XMOHXGYVCUMVMQ-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214389409 824530654 /nfs/dbraw/zinc/53/06/54/824530654.db2.gz XMOHXGYVCUMVMQ-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215536901 824543924 /nfs/dbraw/zinc/54/39/24/824543924.db2.gz YMQXSAZFULDMCD-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCOCCO ZINC001216749996 824548985 /nfs/dbraw/zinc/54/89/85/824548985.db2.gz KQVKBBVXMDDLNR-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP C(O[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217797451 824562595 /nfs/dbraw/zinc/56/25/95/824562595.db2.gz AGDMENBZIJFBER-QTVXIADOSA-N 2 1 281.400 -0.184 20 0 CBADMP C(O[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217797451 824562602 /nfs/dbraw/zinc/56/26/02/824562602.db2.gz AGDMENBZIJFBER-QTVXIADOSA-N 2 1 281.400 -0.184 20 0 CBADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@H]1C[NH2+][C@@H]1C ZINC001218384598 824567097 /nfs/dbraw/zinc/56/70/97/824567097.db2.gz QSJDELGZJQRPSF-RQJHMYQMSA-N 2 1 296.327 -0.098 20 0 CBADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@@H]1C[NH2+][C@H]1C ZINC001218384596 824567888 /nfs/dbraw/zinc/56/78/88/824567888.db2.gz QSJDELGZJQRPSF-NKWVEPMBSA-N 2 1 296.327 -0.098 20 0 CBADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N=c1ncnc2[nH][nH]cc1-2 ZINC001218519209 824580990 /nfs/dbraw/zinc/58/09/90/824580990.db2.gz YKZYUMADSWKDIH-JTQLQIEISA-N 2 1 291.359 -0.276 20 0 CBADMP Cc1[nH][nH]c2ncnc(=NC(=O)[C@H]([NH3+])C3CC[NH2+]CC3)c1-2 ZINC001218528414 824583793 /nfs/dbraw/zinc/58/37/93/824583793.db2.gz SWNCSFJPGLHUTB-SNVBAGLBSA-N 2 1 289.343 -0.700 20 0 CBADMP CCOC(=O)c1c[nH]c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218527070 824583879 /nfs/dbraw/zinc/58/38/79/824583879.db2.gz DHCGNBICPHSYOV-QMMMGPOBSA-N 2 1 293.327 -0.666 20 0 CBADMP COCC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218550984 824588337 /nfs/dbraw/zinc/58/83/37/824588337.db2.gz YFIDGYMDGFGFGQ-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+]1CCN(c2ncc(NC(=O)[C@H]3CC[C@@H]3[NH3+])cn2)CC1 ZINC001218580924 824598642 /nfs/dbraw/zinc/59/86/42/824598642.db2.gz YEQGEGXOODCXEH-RYUDHWBXSA-N 2 1 290.371 -0.096 20 0 CBADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001218582209 824599781 /nfs/dbraw/zinc/59/97/81/824599781.db2.gz OSXBSPJSORKBDF-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP [NH3+]Cc1cncc(NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)c1 ZINC001218704367 824626271 /nfs/dbraw/zinc/62/62/71/824626271.db2.gz PMAFMLUVXMVXKT-NSHDSACASA-N 2 1 260.301 -0.228 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)Nc1cncc(C[NH3+])c1 ZINC001218704127 824626470 /nfs/dbraw/zinc/62/64/70/824626470.db2.gz LBBJAIYTTHXHPK-JTQLQIEISA-N 2 1 252.274 -0.631 20 0 CBADMP N[C@@]1(C(=O)Nc2ccnn2-c2cc[nH+]cc2)CC[NH2+]C1 ZINC001218742886 824631732 /nfs/dbraw/zinc/63/17/32/824631732.db2.gz LIAQJODZCYZIOY-ZDUSSCGKSA-N 2 1 272.312 -0.103 20 0 CBADMP COCCN1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219052028 824653867 /nfs/dbraw/zinc/65/38/67/824653867.db2.gz ALQXIYCUPBFBAX-UONOGXRCSA-N 2 1 299.415 -0.115 20 0 CBADMP COCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052028 824653870 /nfs/dbraw/zinc/65/38/70/824653870.db2.gz ALQXIYCUPBFBAX-UONOGXRCSA-N 2 1 299.415 -0.115 20 0 CBADMP COCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219052028 824653873 /nfs/dbraw/zinc/65/38/73/824653873.db2.gz ALQXIYCUPBFBAX-UONOGXRCSA-N 2 1 299.415 -0.115 20 0 CBADMP COCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219052028 824653875 /nfs/dbraw/zinc/65/38/75/824653875.db2.gz ALQXIYCUPBFBAX-UONOGXRCSA-N 2 1 299.415 -0.115 20 0 CBADMP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001219595810 824738894 /nfs/dbraw/zinc/73/88/94/824738894.db2.gz QZZCCANLMJECSO-LBPRGKRZSA-N 2 1 297.380 -0.552 20 0 CBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC001219635308 824867081 /nfs/dbraw/zinc/86/70/81/824867081.db2.gz AENZQZYDKUDNBU-SRVKXCTJSA-N 2 1 286.395 -0.125 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001219640609 824868627 /nfs/dbraw/zinc/86/86/27/824868627.db2.gz AUDQBSDNOMBHEQ-RYUDHWBXSA-N 3 1 268.405 -0.310 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219641081 824869672 /nfs/dbraw/zinc/86/96/72/824869672.db2.gz DZYQRQKHFFTEJD-MXWKQRLJSA-N 2 1 271.361 -0.371 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001219648998 824872816 /nfs/dbraw/zinc/87/28/16/824872816.db2.gz CZQMDVGJSZIKCA-SCRDCRAPSA-N 2 1 297.447 -0.901 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH2+]C[C@@H](C)C2)C1 ZINC001219650497 824873639 /nfs/dbraw/zinc/87/36/39/824873639.db2.gz ORRVTDXWKZVNBU-XQQFMLRXSA-N 2 1 297.399 -0.157 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH2+]C[C@@H](C)C2)C1 ZINC001219650497 824873646 /nfs/dbraw/zinc/87/36/46/824873646.db2.gz ORRVTDXWKZVNBU-XQQFMLRXSA-N 2 1 297.399 -0.157 20 0 CBADMP C[C@H]1C[NH2+]C[C@H](CNC(=O)c2[nH]nc3c2C[NH2+]C3)C1 ZINC001219661282 824874112 /nfs/dbraw/zinc/87/41/12/824874112.db2.gz AXKNWVCTZTZJCL-RKDXNWHRSA-N 2 1 263.345 -0.012 20 0 CBADMP NC[C@@H]([NH3+])c1ccc(C(=O)NCCC2(O)C[NH2+]C2)cc1 ZINC001219697333 824881133 /nfs/dbraw/zinc/88/11/33/824881133.db2.gz SIGNKRMNXPTXNJ-GFCCVEGCSA-N 2 1 278.356 -0.901 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)C1 ZINC001219743964 824890402 /nfs/dbraw/zinc/89/04/02/824890402.db2.gz PZDAPTDMRPUBGE-WOPDTQHZSA-N 2 1 282.388 -0.907 20 0 CBADMP C[C@]1(C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)CCC[NH2+]1 ZINC001219765885 824891821 /nfs/dbraw/zinc/89/18/21/824891821.db2.gz GOBGRAMUIHWQGX-MBNYWOFBSA-N 2 1 266.389 -0.462 20 0 CBADMP C[C@]1(C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)CCC[NH2+]1 ZINC001219765885 824891823 /nfs/dbraw/zinc/89/18/23/824891823.db2.gz GOBGRAMUIHWQGX-MBNYWOFBSA-N 2 1 266.389 -0.462 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800936 824896139 /nfs/dbraw/zinc/89/61/39/824896139.db2.gz PDUXSADUYVEPDP-CMPLNLGQSA-N 2 1 293.371 -0.836 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805511 824896270 /nfs/dbraw/zinc/89/62/70/824896270.db2.gz LGZCMTPCYCKIKW-WOPDTQHZSA-N 2 1 255.362 -0.492 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219813918 824897474 /nfs/dbraw/zinc/89/74/74/824897474.db2.gz KUFDQIYKSBFZMS-RTXFEEFZSA-N 2 1 285.388 -0.987 20 0 CBADMP [NH3+]CCCC[C@H]([NH3+])C(=O)NCc1noc2c1CNCC2 ZINC001219811364 824897506 /nfs/dbraw/zinc/89/75/06/824897506.db2.gz PZVJQSSZEZNGJJ-JTQLQIEISA-N 2 1 281.360 -0.607 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850596 824902847 /nfs/dbraw/zinc/90/28/47/824902847.db2.gz YLTRJSQYJXFSMN-XYJRDEOASA-N 2 1 293.371 -0.980 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001219867775 824904668 /nfs/dbraw/zinc/90/46/68/824904668.db2.gz RDXRGLOPZKYARR-QWHCGFSZSA-N 2 1 263.341 -0.303 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC001219867775 824904671 /nfs/dbraw/zinc/90/46/71/824904671.db2.gz RDXRGLOPZKYARR-QWHCGFSZSA-N 2 1 263.341 -0.303 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O)[NH+](C)C ZINC001219875256 824905749 /nfs/dbraw/zinc/90/57/49/824905749.db2.gz WGGRWNGNLUKYRV-UPJWGTAASA-N 2 1 269.389 -0.102 20 0 CBADMP [NH3+]CCNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC001219867932 824906094 /nfs/dbraw/zinc/90/60/94/824906094.db2.gz VRBDEPBADUVTCG-CQSZACIVSA-N 2 1 276.384 -0.075 20 0 CBADMP [NH3+]CCNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1 ZINC001219867932 824906099 /nfs/dbraw/zinc/90/60/99/824906099.db2.gz VRBDEPBADUVTCG-CQSZACIVSA-N 2 1 276.384 -0.075 20 0 CBADMP CC[C@H](C)[C@@H](CO)NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219882625 824907846 /nfs/dbraw/zinc/90/78/46/824907846.db2.gz KUXVXJIEZZFSFP-CMPLNLGQSA-N 2 1 257.378 -0.149 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2 ZINC001219901909 824912087 /nfs/dbraw/zinc/91/20/87/824912087.db2.gz UETGFRRFTZQVIH-BHDSKKPTSA-N 2 1 292.339 -0.714 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001219934723 824916299 /nfs/dbraw/zinc/91/62/99/824916299.db2.gz JMDIMOBPNZVZHX-LBPRGKRZSA-N 2 1 251.334 -0.611 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001219934527 824916465 /nfs/dbraw/zinc/91/64/65/824916465.db2.gz FOZQSXQLUVKWSP-NSHDSACASA-N 2 1 279.344 -0.743 20 0 CBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCCn1cc[nH+]c1C ZINC001219934868 824916689 /nfs/dbraw/zinc/91/66/89/824916689.db2.gz QSMCUJIUSHTMSY-GWCFXTLKSA-N 2 1 295.387 -0.203 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219934988 824916712 /nfs/dbraw/zinc/91/67/12/824916712.db2.gz WNCLJUXIRGXNCE-TZMCWYRMSA-N 3 1 277.372 -0.493 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219934345 824917185 /nfs/dbraw/zinc/91/71/85/824917185.db2.gz AAQSDXVIDYIWHG-SDDRHHMPSA-N 2 1 263.345 -0.742 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001219980889 824928892 /nfs/dbraw/zinc/92/88/92/824928892.db2.gz QKCLIFGQTYXLOD-XDQVBPFNSA-N 3 1 280.416 -0.216 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2C[NH2+]C[C@H]2O)C1 ZINC001219981110 824928973 /nfs/dbraw/zinc/92/89/73/824928973.db2.gz XITADUQXTJOCGN-GRYCIOLGSA-N 2 1 255.362 -0.585 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219978985 824929442 /nfs/dbraw/zinc/92/94/42/824929442.db2.gz XHLAGFXOHDLHRD-QWHCGFSZSA-N 3 1 280.416 -0.357 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC001219980765 824930051 /nfs/dbraw/zinc/93/00/51/824930051.db2.gz OVOCMELPIWSJGO-SRVKXCTJSA-N 2 1 255.362 -0.443 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCc1cc[nH]n1 ZINC001220062455 824949013 /nfs/dbraw/zinc/94/90/13/824949013.db2.gz ZGTDHOSTQZANEZ-UHFFFAOYSA-N 2 1 251.334 -0.590 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220071884 824950615 /nfs/dbraw/zinc/95/06/15/824950615.db2.gz VZHPNJUICKOKEA-NXEZZACHSA-N 2 1 250.302 -0.831 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220071536 824950676 /nfs/dbraw/zinc/95/06/76/824950676.db2.gz HXGWDYFURYSQSG-IUODEOHRSA-N 3 1 289.383 -0.212 20 0 CBADMP COC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220088863 824953096 /nfs/dbraw/zinc/95/30/96/824953096.db2.gz SNAMEWVHIKHAKY-IUCAKERBSA-N 2 1 275.349 -0.865 20 0 CBADMP CN[C@@H](CCCC[NH3+])C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220101491 824954397 /nfs/dbraw/zinc/95/43/97/824954397.db2.gz QFNTYMLQTDPPGZ-JTQLQIEISA-N 3 1 272.397 -0.836 20 0 CBADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001220103114 824955454 /nfs/dbraw/zinc/95/54/54/824955454.db2.gz GUSTWXNWFWHOIR-ILDUYXDCSA-N 3 1 285.392 -0.674 20 0 CBADMP N=C(NC(=O)c1cnc(C[NH3+])s1)SCC[NH3+] ZINC001220106530 824956323 /nfs/dbraw/zinc/95/63/23/824956323.db2.gz QMTNCOGKJOWKKW-UHFFFAOYSA-N 2 1 259.360 -0.042 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001220156920 824973270 /nfs/dbraw/zinc/97/32/70/824973270.db2.gz PWEWKQDPXOCRDO-WGBDABJCSA-N 2 1 252.362 -0.581 20 0 CBADMP [NH3+]CCCNCC(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161706 824974241 /nfs/dbraw/zinc/97/42/41/824974241.db2.gz FFJSLRHENJUSDE-OCCSQVGLSA-N 2 1 268.405 -0.037 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001220161579 824974332 /nfs/dbraw/zinc/97/43/32/824974332.db2.gz DHKMWSDXOKYIHI-MNXVOIDGSA-N 2 1 266.389 -0.286 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220160393 824974441 /nfs/dbraw/zinc/97/44/41/824974441.db2.gz YRFQZTGMMSQFBO-RYUDHWBXSA-N 3 1 254.378 -0.476 20 0 CBADMP CN1CCC[C@H](NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220160393 824974445 /nfs/dbraw/zinc/97/44/45/824974445.db2.gz YRFQZTGMMSQFBO-RYUDHWBXSA-N 2 1 254.378 -0.476 20 0 CBADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1C[NH+](C(C)C)C1 ZINC001220160401 824974713 /nfs/dbraw/zinc/97/47/13/824974713.db2.gz YSLYEKYTJDSDPK-LBPRGKRZSA-N 3 1 256.394 -0.088 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@H]1CCNCC1(F)F ZINC001220186186 824982748 /nfs/dbraw/zinc/98/27/48/824982748.db2.gz NCZPEYMYLVJAKM-SNVBAGLBSA-N 2 1 290.358 -0.311 20 0 CBADMP COCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC1 ZINC001220200542 824985638 /nfs/dbraw/zinc/98/56/38/824985638.db2.gz NFTIXZJZYQUYEV-YPMHNXCESA-N 2 1 284.404 -0.707 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229122 824990296 /nfs/dbraw/zinc/99/02/96/824990296.db2.gz NUTPVCWZCORIFE-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233861 824991763 /nfs/dbraw/zinc/99/17/63/824991763.db2.gz JRNNHTWZSRUZQR-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP Cn1cncc1C[C@H]([NH3+])C(=O)NCC[C@H]1CCC[N@H+]1C ZINC001220251672 824994624 /nfs/dbraw/zinc/99/46/24/824994624.db2.gz BDCNEFHPLCOLBV-YPMHNXCESA-N 2 1 279.388 -0.110 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273836 825002090 /nfs/dbraw/zinc/00/20/90/825002090.db2.gz VKSWVZZOPXJYFV-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001220277103 825003025 /nfs/dbraw/zinc/00/30/25/825003025.db2.gz QLOLOAJPRWEAPX-OLZOCXBDSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)OC ZINC001220276496 825003934 /nfs/dbraw/zinc/00/39/34/825003934.db2.gz COYHRSFTUSQZRA-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276695 825004331 /nfs/dbraw/zinc/00/43/31/825004331.db2.gz IPBDKUWXVBNPTI-TUAOUCFPSA-N 2 1 275.368 -0.153 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)C2CC3(C[NH2+]C3)C2)CC1 ZINC001220303770 825009939 /nfs/dbraw/zinc/00/99/39/825009939.db2.gz CCROADAJOBJNJA-UHFFFAOYSA-N 2 1 280.416 -0.260 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394260 825029137 /nfs/dbraw/zinc/02/91/37/825029137.db2.gz BMRDTLVNCSKHCM-GFCCVEGCSA-N 2 1 277.372 -0.118 20 0 CBADMP N[C@@H](C[NH3+])C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001220429375 825037162 /nfs/dbraw/zinc/03/71/62/825037162.db2.gz QLELOFDETZGQRL-RFQIPJPRSA-N 2 1 274.368 -0.481 20 0 CBADMP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC1CC[NH+](CCF)CC1 ZINC001220436564 825039787 /nfs/dbraw/zinc/03/97/87/825039787.db2.gz XETUDPUVFZPUNV-QWRGUYRKSA-N 2 1 258.341 -0.917 20 0 CBADMP [NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])c1ccsc1 ZINC001220517744 825054284 /nfs/dbraw/zinc/05/42/84/825054284.db2.gz YCNHFTVFAMZIFL-NSHDSACASA-N 2 1 287.385 -0.144 20 0 CBADMP COC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])c1cccnc1 ZINC001220529521 825058080 /nfs/dbraw/zinc/05/80/80/825058080.db2.gz CTQVPJAWBYXPBA-WDEREUQCSA-N 2 1 280.328 -0.522 20 0 CBADMP CC(C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553388 825061768 /nfs/dbraw/zinc/06/17/68/825061768.db2.gz HQGRHAFQKYEXII-OLZOCXBDSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553388 825061775 /nfs/dbraw/zinc/06/17/75/825061775.db2.gz HQGRHAFQKYEXII-OLZOCXBDSA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220574674 825068110 /nfs/dbraw/zinc/06/81/10/825068110.db2.gz HWSYPYVMJUWIAV-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1O ZINC001220681733 825084231 /nfs/dbraw/zinc/08/42/31/825084231.db2.gz NDXFQVOBDWWFDX-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220688617 825085874 /nfs/dbraw/zinc/08/58/74/825085874.db2.gz MTPHTQVAMFLGMG-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220688617 825085880 /nfs/dbraw/zinc/08/58/80/825085880.db2.gz MTPHTQVAMFLGMG-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220688617 825085886 /nfs/dbraw/zinc/08/58/86/825085886.db2.gz MTPHTQVAMFLGMG-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP NCc1ncccc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220710980 825091794 /nfs/dbraw/zinc/09/17/94/825091794.db2.gz HOUTUPXXKNDDQP-GFCCVEGCSA-N 2 1 263.345 -0.194 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755470 825095056 /nfs/dbraw/zinc/09/50/56/825095056.db2.gz PLLRWOZFMDGIRP-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755470 825095063 /nfs/dbraw/zinc/09/50/63/825095063.db2.gz PLLRWOZFMDGIRP-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755470 825095068 /nfs/dbraw/zinc/09/50/68/825095068.db2.gz PLLRWOZFMDGIRP-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755822 825095294 /nfs/dbraw/zinc/09/52/94/825095294.db2.gz XJADOBWUHPGUSF-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755822 825095300 /nfs/dbraw/zinc/09/53/00/825095300.db2.gz XJADOBWUHPGUSF-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755822 825095305 /nfs/dbraw/zinc/09/53/05/825095305.db2.gz XJADOBWUHPGUSF-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001220764161 825098864 /nfs/dbraw/zinc/09/88/64/825098864.db2.gz BDVSIUAZPWBTOV-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1COC[NH2+]1 ZINC001220785936 825101176 /nfs/dbraw/zinc/10/11/76/825101176.db2.gz HAXZDAZZHGDRLI-RWMBFGLXSA-N 2 1 276.340 -0.206 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCN1CCC(F)(F)C1 ZINC001220807814 825104029 /nfs/dbraw/zinc/10/40/29/825104029.db2.gz IJWBRYPJQFJSCR-UHFFFAOYSA-N 2 1 290.358 -0.215 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)C1 ZINC001220806041 825104194 /nfs/dbraw/zinc/10/41/94/825104194.db2.gz XEXRLXJMJRDRRX-BGZDPUMWSA-N 2 1 280.294 -0.668 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803086 825104568 /nfs/dbraw/zinc/10/45/68/825104568.db2.gz BOWFITPYZQREDD-GJMOJQLCSA-N 3 1 268.283 -0.681 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220831419 825109280 /nfs/dbraw/zinc/10/92/80/825109280.db2.gz YYJRBMNCIMLDCB-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220831419 825109282 /nfs/dbraw/zinc/10/92/82/825109282.db2.gz YYJRBMNCIMLDCB-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220831419 825109285 /nfs/dbraw/zinc/10/92/85/825109285.db2.gz YYJRBMNCIMLDCB-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001220857710 825113484 /nfs/dbraw/zinc/11/34/84/825113484.db2.gz ORCICPARPDVFSN-DNJQJEMRSA-N 2 1 254.378 -0.302 20 0 CBADMP N[C@@H]1C[C@]2(C(=O)NCc3ccccc3C[NH3+])CC[C@H]1[NH2+]2 ZINC001220855160 825113665 /nfs/dbraw/zinc/11/36/65/825113665.db2.gz OKWVNCNFNCEZRP-NFAWXSAZSA-N 2 1 274.368 -0.017 20 0 CBADMP CCN(CC)C(=O)N1CCC(NC(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001220911531 825124411 /nfs/dbraw/zinc/12/44/11/825124411.db2.gz QSRQTQHCSDCTCL-LBPRGKRZSA-N 2 1 299.419 -0.295 20 0 CBADMP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220950982 825129014 /nfs/dbraw/zinc/12/90/14/825129014.db2.gz MMDNQRJHSVJFKV-NSHDSACASA-N 2 1 290.371 -0.664 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220978199 825132204 /nfs/dbraw/zinc/13/22/04/825132204.db2.gz RBROUQHGPQMJHL-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220978199 825132188 /nfs/dbraw/zinc/13/21/88/825132188.db2.gz RBROUQHGPQMJHL-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220978199 825132196 /nfs/dbraw/zinc/13/21/96/825132196.db2.gz RBROUQHGPQMJHL-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1cncn1C1CCC1 ZINC001221023310 825138566 /nfs/dbraw/zinc/13/85/66/825138566.db2.gz HTTGIYYJPIMHRN-NSHDSACASA-N 2 1 251.334 -0.100 20 0 CBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001221062318 825140584 /nfs/dbraw/zinc/14/05/84/825140584.db2.gz OFZKIKCPENLCAW-KGLIPLIRSA-N 2 1 299.415 -0.594 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091701 825143001 /nfs/dbraw/zinc/14/30/01/825143001.db2.gz UTYYPXNHIKHBGI-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091701 825143007 /nfs/dbraw/zinc/14/30/07/825143007.db2.gz UTYYPXNHIKHBGI-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091701 825143010 /nfs/dbraw/zinc/14/30/10/825143010.db2.gz UTYYPXNHIKHBGI-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089283 825143265 /nfs/dbraw/zinc/14/32/65/825143265.db2.gz BPMMYOLLZGENGZ-UPJWGTAASA-N 2 1 287.404 -0.477 20 0 CBADMP CO[C@H](C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089283 825143269 /nfs/dbraw/zinc/14/32/69/825143269.db2.gz BPMMYOLLZGENGZ-UPJWGTAASA-N 2 1 287.404 -0.477 20 0 CBADMP CO[C@H](C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089283 825143273 /nfs/dbraw/zinc/14/32/73/825143273.db2.gz BPMMYOLLZGENGZ-UPJWGTAASA-N 2 1 287.404 -0.477 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)NC2(c3cccnc3)CC[NH2+]CC2)C1 ZINC001221123960 825144651 /nfs/dbraw/zinc/14/46/51/825144651.db2.gz QIJJSMAHVLWDSV-OLZOCXBDSA-N 2 1 289.383 -0.534 20 0 CBADMP CC(C)(C)[NH+]1CC(NC(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001221193784 825152503 /nfs/dbraw/zinc/15/25/03/825152503.db2.gz FVIPIBXMHITUJV-CYBMUJFWSA-N 2 1 254.378 -0.334 20 0 CBADMP CC(C)(C)[NH+]1CC(NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001221193540 825152727 /nfs/dbraw/zinc/15/27/27/825152727.db2.gz BTDAKHZCQFUYCB-YGRLFVJLSA-N 2 1 266.389 -0.463 20 0 CBADMP CC(C)(C)[NH+]1CC(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001221193981 825153424 /nfs/dbraw/zinc/15/34/24/825153424.db2.gz IQVJIXSGFOGPGF-IAQYHMDHSA-N 3 1 280.416 -0.216 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001221240849 825158696 /nfs/dbraw/zinc/15/86/96/825158696.db2.gz FRNCQKQIRCTLDG-ZWNOBZJWSA-N 2 1 285.392 -0.637 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001221241247 825159118 /nfs/dbraw/zinc/15/91/18/825159118.db2.gz QZQWTGQWZPDSKX-DGCLKSJQSA-N 3 1 266.389 -0.604 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001221243747 825160057 /nfs/dbraw/zinc/16/00/57/825160057.db2.gz MGLGPWIEKITUKQ-ZFWWWQNUSA-N 3 1 297.447 -0.663 20 0 CBADMP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221243747 825160063 /nfs/dbraw/zinc/16/00/63/825160063.db2.gz MGLGPWIEKITUKQ-ZFWWWQNUSA-N 3 1 297.447 -0.663 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221243747 825160067 /nfs/dbraw/zinc/16/00/67/825160067.db2.gz MGLGPWIEKITUKQ-ZFWWWQNUSA-N 3 1 297.447 -0.663 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001221243250 825160247 /nfs/dbraw/zinc/16/02/47/825160247.db2.gz HDCUJCLMQLEMRT-CMPLNLGQSA-N 3 1 274.434 -0.394 20 0 CBADMP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001221243250 825160250 /nfs/dbraw/zinc/16/02/50/825160250.db2.gz HDCUJCLMQLEMRT-CMPLNLGQSA-N 2 1 274.434 -0.394 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001221243250 825160254 /nfs/dbraw/zinc/16/02/54/825160254.db2.gz HDCUJCLMQLEMRT-CMPLNLGQSA-N 2 1 274.434 -0.394 20 0 CBADMP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@H]1COC[NH2+]1 ZINC001221245882 825160529 /nfs/dbraw/zinc/16/05/29/825160529.db2.gz HFFWPLOKHJRLGP-WCQYABFASA-N 2 1 253.346 -0.029 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1 ZINC001221254380 825162046 /nfs/dbraw/zinc/16/20/46/825162046.db2.gz NINYYRSFSVWVIT-ZDEQEGDKSA-N 2 1 267.373 -0.179 20 0 CBADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221254376 825162350 /nfs/dbraw/zinc/16/23/50/825162350.db2.gz NBXIKQWWNLRUTL-AVGNSLFASA-N 2 1 298.431 -0.068 20 0 CBADMP CCOC(=O)/C=C(/NC(=O)[C@@H]([NH3+])CC[NH3+])OCC ZINC001221262471 825163127 /nfs/dbraw/zinc/16/31/27/825163127.db2.gz FRGWKPIHFOQVOS-FZGDARCMSA-N 2 1 259.306 -0.780 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@@H]1CCCNC(=O)C1 ZINC001221269589 825165248 /nfs/dbraw/zinc/16/52/48/825165248.db2.gz RALOBMIAYJMODC-LLVKDONJSA-N 2 1 268.361 -0.887 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221366642 825175899 /nfs/dbraw/zinc/17/58/99/825175899.db2.gz SFIMJEURSXKORZ-HRDYMLBCSA-N 2 1 261.297 -0.917 20 0 CBADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001221359582 825176174 /nfs/dbraw/zinc/17/61/74/825176174.db2.gz XMOBXDFCHKFMEY-UPJWGTAASA-N 2 1 299.415 -0.570 20 0 CBADMP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]1(N)CC[NH2+]C1 ZINC001221358825 825176192 /nfs/dbraw/zinc/17/61/92/825176192.db2.gz ROIRYVHKALAILO-DOMZBBRYSA-N 2 1 298.431 -0.460 20 0 CBADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H](O)C[NH3+] ZINC001221357675 825176564 /nfs/dbraw/zinc/17/65/64/825176564.db2.gz QHRRGVDBJQEUES-RYUDHWBXSA-N 2 1 287.404 -0.441 20 0 CBADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001221358828 825176608 /nfs/dbraw/zinc/17/66/08/825176608.db2.gz ROIRYVHKALAILO-SWLSCSKDSA-N 2 1 298.431 -0.460 20 0 CBADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[NH2+]CCN1 ZINC001221358533 825176629 /nfs/dbraw/zinc/17/66/29/825176629.db2.gz PLMJALVANZZLLY-OLZOCXBDSA-N 2 1 298.431 -0.589 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H](CO)c1ccccc1 ZINC001221378514 825179206 /nfs/dbraw/zinc/17/92/06/825179206.db2.gz WPRZHOQNUJAKII-RYUDHWBXSA-N 2 1 251.330 -0.445 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001221388787 825179853 /nfs/dbraw/zinc/17/98/53/825179853.db2.gz FTXFKDSRPCNSAO-NSHDSACASA-N 2 1 295.391 -0.657 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001221388320 825180645 /nfs/dbraw/zinc/18/06/45/825180645.db2.gz BQQSPXRRVJCZEF-LBPRGKRZSA-N 4 1 298.435 -0.623 20 0 CBADMP NC1=CC=C(C2CCN(C(=O)CNCCC[NH3+])CC2)[NH2+]C1 ZINC001221392854 825180696 /nfs/dbraw/zinc/18/06/96/825180696.db2.gz OOBQFYJSNIYSEH-UHFFFAOYSA-N 2 1 293.415 -0.507 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001221399138 825182735 /nfs/dbraw/zinc/18/27/35/825182735.db2.gz MISKLZSROFZCPY-IHRRRGAJSA-N 2 1 274.368 -0.494 20 0 CBADMP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2C[C@H](N)C[NH2+]2)c1 ZINC001221402709 825183397 /nfs/dbraw/zinc/18/33/97/825183397.db2.gz CTQHZEYYUYAOLU-WCFLWFBJSA-N 2 1 278.356 -0.500 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](N)CC[NH3+])[C@H](C)C1 ZINC001221405858 825183729 /nfs/dbraw/zinc/18/37/29/825183729.db2.gz CDAKTLGHZZWXGU-WOPDTQHZSA-N 2 1 256.394 -0.103 20 0 CBADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])[C@H](C)C1 ZINC001221405858 825183734 /nfs/dbraw/zinc/18/37/34/825183734.db2.gz CDAKTLGHZZWXGU-WOPDTQHZSA-N 3 1 256.394 -0.103 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])[C@H](C)C1 ZINC001221405858 825183738 /nfs/dbraw/zinc/18/37/38/825183738.db2.gz CDAKTLGHZZWXGU-WOPDTQHZSA-N 3 1 256.394 -0.103 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221407658 825183923 /nfs/dbraw/zinc/18/39/23/825183923.db2.gz CWGLPPQUOKKXFL-AAEUAGOBSA-N 2 1 283.372 -0.229 20 0 CBADMP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2COC[NH2+]2)c1 ZINC001221404416 825184060 /nfs/dbraw/zinc/18/40/60/825184060.db2.gz IMTGFRXEXAHVJU-RYUDHWBXSA-N 2 1 265.313 -0.243 20 0 CBADMP Cc1nc(CNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)n[nH]1 ZINC001221409293 825185935 /nfs/dbraw/zinc/18/59/35/825185935.db2.gz TUPXDGAKOLMMJX-JTQLQIEISA-N 2 1 268.365 -0.211 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221411866 825187653 /nfs/dbraw/zinc/18/76/53/825187653.db2.gz YHLRHSLWWABMMY-CHWSQXEVSA-N 2 1 277.372 -0.216 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789054 825194136 /nfs/dbraw/zinc/19/41/36/825194136.db2.gz DEMBYFDEPRYKJP-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789054 825194138 /nfs/dbraw/zinc/19/41/38/825194138.db2.gz DEMBYFDEPRYKJP-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789301 825194177 /nfs/dbraw/zinc/19/41/77/825194177.db2.gz OPCWXYJBKXJWRD-QJPTWQEYSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789301 825194179 /nfs/dbraw/zinc/19/41/79/825194179.db2.gz OPCWXYJBKXJWRD-QJPTWQEYSA-N 2 1 282.388 -0.655 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221789476 825194211 /nfs/dbraw/zinc/19/42/11/825194211.db2.gz YUAORWMGRFRZDO-FRRDWIJNSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221789476 825194212 /nfs/dbraw/zinc/19/42/12/825194212.db2.gz YUAORWMGRFRZDO-FRRDWIJNSA-N 2 1 294.399 -0.641 20 0 CBADMP COC(=O)[C@H](C)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085942 825199955 /nfs/dbraw/zinc/19/99/55/825199955.db2.gz PRZKVFVFSMLESM-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP O=c1cc[nH]cc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222105275 825201808 /nfs/dbraw/zinc/20/18/08/825201808.db2.gz YPCVQPASZPJRDC-UHFFFAOYSA-N 2 1 262.357 -0.098 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCN1C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001222414579 825211057 /nfs/dbraw/zinc/21/10/57/825211057.db2.gz MMPMZOVMVBUXHS-VWYCJHECSA-N 2 1 291.342 -0.076 20 0 CBADMP Nc1[nH]c(CN2CCNC[C@]3(CCCC[NH2+]3)C2)c[nH+]1 ZINC001222690922 825219769 /nfs/dbraw/zinc/21/97/69/825219769.db2.gz AMNKNSWUJDZXIF-CYBMUJFWSA-N 2 1 264.377 -0.091 20 0 CBADMP Nc1[nH]cc(CN2CC[NH2+]C[C@]3(CCCCN3)C2)[nH+]1 ZINC001222690922 825219776 /nfs/dbraw/zinc/21/97/76/825219776.db2.gz AMNKNSWUJDZXIF-CYBMUJFWSA-N 2 1 264.377 -0.091 20 0 CBADMP C([C@@H]1COCC[NH2+]1)N1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001222667624 825220774 /nfs/dbraw/zinc/22/07/74/825220774.db2.gz GARIRCPMNVADNS-KGLIPLIRSA-N 2 1 268.405 -0.608 20 0 CBADMP C([C@H]1[C@@H]2C[NH2+]C[C@H]12)N1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001222668419 825220821 /nfs/dbraw/zinc/22/08/21/825220821.db2.gz KFLPCLKJNGJMNY-YJNKXOJESA-N 2 1 264.417 -0.131 20 0 CBADMP C[N@@H+](CC(=O)NCC1CC[NH+](CC(N)=O)CC1)C1CCC1 ZINC001223487117 825230618 /nfs/dbraw/zinc/23/06/18/825230618.db2.gz DXEYEVIRYMFOHA-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001226555134 825280270 /nfs/dbraw/zinc/28/02/70/825280270.db2.gz SSOVXFJJUBDUSG-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001226722420 825288218 /nfs/dbraw/zinc/28/82/18/825288218.db2.gz ILYXBKGZUUWUQN-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001226722420 825288221 /nfs/dbraw/zinc/28/82/21/825288221.db2.gz ILYXBKGZUUWUQN-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001227833450 825309294 /nfs/dbraw/zinc/30/92/94/825309294.db2.gz YVBSIRJPUULTOO-NSHDSACASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001227833450 825309305 /nfs/dbraw/zinc/30/93/05/825309305.db2.gz YVBSIRJPUULTOO-NSHDSACASA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001227876392 825310781 /nfs/dbraw/zinc/31/07/81/825310781.db2.gz HKQWGTDNKWOUQH-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001227876392 825310783 /nfs/dbraw/zinc/31/07/83/825310783.db2.gz HKQWGTDNKWOUQH-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228895359 825324018 /nfs/dbraw/zinc/32/40/18/825324018.db2.gz LTVAVOSXDNDQQW-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)CCC(=O)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001228992095 825326727 /nfs/dbraw/zinc/32/67/27/825326727.db2.gz MYXQQRGIESDQQE-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001229625228 825335221 /nfs/dbraw/zinc/33/52/21/825335221.db2.gz AQCRLDSHVYHNBD-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@H+](C)CCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001230101679 825343576 /nfs/dbraw/zinc/34/35/76/825343576.db2.gz XOKQIDTXOREBPB-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001230101679 825343580 /nfs/dbraw/zinc/34/35/80/825343580.db2.gz XOKQIDTXOREBPB-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[N@H+](C)CC(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001230113020 825343779 /nfs/dbraw/zinc/34/37/79/825343779.db2.gz MXVSTQBBYYAJJM-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001230113020 825343789 /nfs/dbraw/zinc/34/37/89/825343789.db2.gz MXVSTQBBYYAJJM-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230262769 825344711 /nfs/dbraw/zinc/34/47/11/825344711.db2.gz RGRYDFLIWINSAN-JSGCOSHPSA-N 2 1 299.415 -0.474 20 0 CBADMP CC1(C)[NH2+][C@@H](CCN2CC[NH2+]C[C@]23CC[NH2+]C3)CO1 ZINC001234978921 825480487 /nfs/dbraw/zinc/48/04/87/825480487.db2.gz CFPIVSATTALLFY-GXTWGEPZSA-N 3 1 268.405 -0.262 20 0 CBADMP c1ccn2nc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)nc2c1 ZINC001234987920 825480554 /nfs/dbraw/zinc/48/05/54/825480554.db2.gz HVAWZKRGHHDEKB-AWEZNQCLSA-N 2 1 272.356 -0.133 20 0 CBADMP C(CN1CC[NH2+]C[C@]12CC[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC001234981582 825480621 /nfs/dbraw/zinc/48/06/21/825480621.db2.gz OTHVDCGYVYWFPY-CHWSQXEVSA-N 3 1 254.378 -0.998 20 0 CBADMP [NH3+]CCCC[N@H+]1CCCO[C@]2(CNCCOC2)C1 ZINC001235198243 825489533 /nfs/dbraw/zinc/48/95/33/825489533.db2.gz QQIFNMLTIYWNAT-CYBMUJFWSA-N 2 1 257.378 -0.194 20 0 CBADMP [NH3+]CCCC[N@@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001235198243 825489539 /nfs/dbraw/zinc/48/95/39/825489539.db2.gz QQIFNMLTIYWNAT-CYBMUJFWSA-N 3 1 257.378 -0.194 20 0 CBADMP [NH3+]CCCC[N@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001235198243 825489540 /nfs/dbraw/zinc/48/95/40/825489540.db2.gz QQIFNMLTIYWNAT-CYBMUJFWSA-N 3 1 257.378 -0.194 20 0 CBADMP CC[NH2+]CCN1C[C@H]2C[C@H](C(=O)OCC)[NH2+][C@H]2C1 ZINC001235271547 825490336 /nfs/dbraw/zinc/49/03/36/825490336.db2.gz SIDPIFBZWQMQRR-UTUOFQBUSA-N 2 1 255.362 -0.179 20 0 CBADMP CCOC(=O)[C@@]12C[N@H+](CCN)C[C@@H]1CC[NH2+]CC2 ZINC001235350981 825493818 /nfs/dbraw/zinc/49/38/18/825493818.db2.gz WRXDEZPHJIIXDH-AAEUAGOBSA-N 2 1 255.362 -0.190 20 0 CBADMP CCOC(=O)[C@@]12C[N@@H+](CCN)C[C@@H]1CC[NH2+]CC2 ZINC001235350981 825493823 /nfs/dbraw/zinc/49/38/23/825493823.db2.gz WRXDEZPHJIIXDH-AAEUAGOBSA-N 2 1 255.362 -0.190 20 0 CBADMP CCOC(=O)[C@@]12C[N@H+](CC[NH3+])C[C@@H]1CC[NH2+]CC2 ZINC001235350981 825493827 /nfs/dbraw/zinc/49/38/27/825493827.db2.gz WRXDEZPHJIIXDH-AAEUAGOBSA-N 3 1 255.362 -0.190 20 0 CBADMP CCOC(=O)[C@@]12C[N@@H+](CC[NH3+])C[C@@H]1CC[NH2+]CC2 ZINC001235350981 825493833 /nfs/dbraw/zinc/49/38/33/825493833.db2.gz WRXDEZPHJIIXDH-AAEUAGOBSA-N 3 1 255.362 -0.190 20 0 CBADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1CN1CC[NH2+]C[C@@H]1CO ZINC001235443343 825496145 /nfs/dbraw/zinc/49/61/45/825496145.db2.gz MZYLKTATQRDGQP-GMTAPVOTSA-N 2 1 263.332 -0.257 20 0 CBADMP C[C@H]([NH3+])CN1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001235519548 825498835 /nfs/dbraw/zinc/49/88/35/825498835.db2.gz XRDBWWMOTKSYFD-YNEHKIRRSA-N 2 1 277.372 -0.039 20 0 CBADMP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](C[C@@H](C)[NH3+])C[C@H]21 ZINC001235511162 825499204 /nfs/dbraw/zinc/49/92/04/825499204.db2.gz PCXFPIZBZQGNTB-WISYIIOYSA-N 2 1 255.362 -0.193 20 0 CBADMP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](C[C@@H](C)[NH3+])C[C@H]21 ZINC001235511162 825499208 /nfs/dbraw/zinc/49/92/08/825499208.db2.gz PCXFPIZBZQGNTB-WISYIIOYSA-N 2 1 255.362 -0.193 20 0 CBADMP C[C@H]([NH3+])C[N@@H+]1C[C@H]2CN(c3cnn(C)c3)C(=O)[C@H]2C1 ZINC001235622568 825508041 /nfs/dbraw/zinc/50/80/41/825508041.db2.gz BEMUTTJIQNTZRL-NHCYSSNCSA-N 2 1 263.345 -0.338 20 0 CBADMP C[C@H]([NH3+])C[N@H+]1C[C@H]2CN(c3cnn(C)c3)C(=O)[C@H]2C1 ZINC001235622568 825508047 /nfs/dbraw/zinc/50/80/47/825508047.db2.gz BEMUTTJIQNTZRL-NHCYSSNCSA-N 2 1 263.345 -0.338 20 0 CBADMP O=c1[nH]cccc1C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235868139 825515283 /nfs/dbraw/zinc/51/52/83/825515283.db2.gz AVJZJFFBCXZUAC-UHFFFAOYSA-N 2 1 279.388 -0.628 20 0 CBADMP C[NH+]1CCN(C(=O)C2CC[NH+](CCCO)CC2)CC1 ZINC001235797339 825515430 /nfs/dbraw/zinc/51/54/30/825515430.db2.gz TTYOVVPZMOKDBC-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP C(CC1OCCO1)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235870043 825516933 /nfs/dbraw/zinc/51/69/33/825516933.db2.gz MUIPGWDJVIIWDE-UHFFFAOYSA-N 2 1 286.420 -0.776 20 0 CBADMP Cc1c[nH]c(=O)c(C[NH+]2CCNCC[NH2+]CCNCC2)c1 ZINC001235871154 825516985 /nfs/dbraw/zinc/51/69/85/825516985.db2.gz QFGHLNNJJZJJIN-UHFFFAOYSA-N 2 1 293.415 -0.320 20 0 CBADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1CN(CC[NH3+])CC[NH3+] ZINC001235876655 825518836 /nfs/dbraw/zinc/51/88/36/825518836.db2.gz HCVWYFNCQDHKAC-VHSXEESVSA-N 3 1 250.337 -0.303 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCN1C[C@@H]1CCC[N@@H+](C)C1 ZINC001236053466 825521491 /nfs/dbraw/zinc/52/14/91/825521491.db2.gz WWEPEMAETSTSOY-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC001236195323 825522864 /nfs/dbraw/zinc/52/28/64/825522864.db2.gz HEXPIDZVCFKMBJ-WOPDTQHZSA-N 2 1 255.362 -0.097 20 0 CBADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CCCCO)C1 ZINC001236466764 825532076 /nfs/dbraw/zinc/53/20/76/825532076.db2.gz JPUVOTWIYRXFDC-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCCCO)C1 ZINC001236466764 825532080 /nfs/dbraw/zinc/53/20/80/825532080.db2.gz JPUVOTWIYRXFDC-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]1N ZINC001236343986 825527799 /nfs/dbraw/zinc/52/77/99/825527799.db2.gz QPNMAKOZCOEJCB-RYUDHWBXSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@H]1CN(CCC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001236343986 825527802 /nfs/dbraw/zinc/52/78/02/825527802.db2.gz QPNMAKOZCOEJCB-RYUDHWBXSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@@H]1CN(CCC23CC([NH3+])(C2)C3)C[C@@H]1[NH3+] ZINC001236343230 825528758 /nfs/dbraw/zinc/52/87/58/825528758.db2.gz OYHGDFCTJZEXRQ-PGKBUCCNSA-N 2 1 253.346 -0.310 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CCC23CC([NH3+])(C2)C3)C[C@@H]1N ZINC001236343230 825528752 /nfs/dbraw/zinc/52/87/52/825528752.db2.gz OYHGDFCTJZEXRQ-PGKBUCCNSA-N 2 1 253.346 -0.310 20 0 CBADMP COC(=O)[C@@H]1CN(CC2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC001236346204 825529605 /nfs/dbraw/zinc/52/96/05/825529605.db2.gz YFQUHCDSPWGMJI-NEPJUHHUSA-N 2 1 255.362 -0.240 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@@H]1N ZINC001236346204 825529602 /nfs/dbraw/zinc/52/96/02/825529602.db2.gz YFQUHCDSPWGMJI-NEPJUHHUSA-N 2 1 255.362 -0.240 20 0 CBADMP [NH3+]CCS(=O)(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001238312969 825550737 /nfs/dbraw/zinc/55/07/37/825550737.db2.gz NGFKMZJWRFAXAN-MRVPVSSYSA-N 2 1 261.372 -0.230 20 0 CBADMP [NH3+]CCS(=O)(=O)N[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001238807455 825564260 /nfs/dbraw/zinc/56/42/60/825564260.db2.gz GRDXMUXTUBWZAF-GFCCVEGCSA-N 2 1 291.417 -0.635 20 0 CBADMP C[N@@H+](CCO)CCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238901727 825569721 /nfs/dbraw/zinc/56/97/21/825569721.db2.gz YZDNOKAJFLDKKD-UHFFFAOYSA-N 2 1 293.433 -0.780 20 0 CBADMP Cc1ccc[nH+]c1N1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001238921015 825572864 /nfs/dbraw/zinc/57/28/64/825572864.db2.gz GMKDGLRIEXQWEL-UHFFFAOYSA-N 2 1 284.385 -0.199 20 0 CBADMP [NH3+][C@H]1CN(S(=O)(=O)[C@H]2CC[NH2+]C2)CCC1(F)F ZINC001238984685 825581302 /nfs/dbraw/zinc/58/13/02/825581302.db2.gz SDCLHOAAWABLBR-YUMQZZPRSA-N 2 1 269.317 -0.654 20 0 CBADMP [NH3+]CCS(=O)(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001239078114 825584982 /nfs/dbraw/zinc/58/49/82/825584982.db2.gz XQWLTUPRWOUQHF-UHFFFAOYSA-N 2 1 273.402 -0.307 20 0 CBADMP [NH3+]CCS(=O)(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001239084349 825586191 /nfs/dbraw/zinc/58/61/91/825586191.db2.gz MPXHPRAOXNQLDQ-UHFFFAOYSA-N 2 1 277.390 -0.929 20 0 CBADMP [NH3+]CCS(=O)(=O)N1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001239093486 825587006 /nfs/dbraw/zinc/58/70/06/825587006.db2.gz MOYPCYKMLOKYIB-CYBMUJFWSA-N 2 1 283.397 -0.209 20 0 CBADMP C[C@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC001239159614 825595054 /nfs/dbraw/zinc/59/50/54/825595054.db2.gz NUGQOKWNQQQNDS-UWVGGRQHSA-N 2 1 261.391 -0.250 20 0 CBADMP S=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCC[NH2+]1 ZINC001239369419 825600483 /nfs/dbraw/zinc/60/04/83/825600483.db2.gz UWLDBABROUPVAD-GFCCVEGCSA-N 2 1 286.445 -0.075 20 0 CBADMP CCCOC[C@H](O)C[NH2+]Cc1nnn2c1C[NH2+]CCC2 ZINC001245985624 825618318 /nfs/dbraw/zinc/61/83/18/825618318.db2.gz MOQYPGYEGVQYCU-LLVKDONJSA-N 2 1 283.376 -0.352 20 0 CBADMP [NH3+][C@@H]1CCCC[C@@H]1NC[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246015246 825620593 /nfs/dbraw/zinc/62/05/93/825620593.db2.gz YDYDQDXQQWBJPP-XQQFMLRXSA-N 2 1 271.405 -0.289 20 0 CBADMP N[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246015246 825620599 /nfs/dbraw/zinc/62/05/99/825620599.db2.gz YDYDQDXQQWBJPP-XQQFMLRXSA-N 2 1 271.405 -0.289 20 0 CBADMP C[C@H]1C[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001246015933 825620944 /nfs/dbraw/zinc/62/09/44/825620944.db2.gz JPMYLTNYGPMRGK-XQQFMLRXSA-N 3 1 271.405 -0.622 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)COc2ccc(F)cc2)C[C@H]1O ZINC001246020197 825622592 /nfs/dbraw/zinc/62/25/92/825622592.db2.gz IIRAIWWNTKXXCP-ZKYQVNSYSA-N 2 1 284.331 -0.183 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C[C@H]1O ZINC001246020197 825622594 /nfs/dbraw/zinc/62/25/94/825622594.db2.gz IIRAIWWNTKXXCP-ZKYQVNSYSA-N 2 1 284.331 -0.183 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@@H+](C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001246020934 825622935 /nfs/dbraw/zinc/62/29/35/825622935.db2.gz MRXMFBQDJJETKC-QWHCGFSZSA-N 3 1 257.378 -0.723 20 0 CBADMP [NH3+]C[C@]1(O)CCCN(C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001246020934 825622937 /nfs/dbraw/zinc/62/29/37/825622937.db2.gz MRXMFBQDJJETKC-QWHCGFSZSA-N 2 1 257.378 -0.723 20 0 CBADMP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246020266 825623240 /nfs/dbraw/zinc/62/32/40/825623240.db2.gz KGSJXVANQMRXJG-WCQYABFASA-N 2 1 274.361 -0.524 20 0 CBADMP CC[NH+](CC)C[C@H](O)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246024396 825624298 /nfs/dbraw/zinc/62/42/98/825624298.db2.gz FQHYGNJPOWMKPJ-KBPBESRZSA-N 3 1 270.421 -0.674 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCC[C@@H]1C[NH3+] ZINC001246024185 825624424 /nfs/dbraw/zinc/62/44/24/825624424.db2.gz QVSOKAQNDXXIAA-KFWWJZLASA-N 2 1 285.432 -0.014 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCC[C@@H]1C[NH3+] ZINC001246024189 825624573 /nfs/dbraw/zinc/62/45/73/825624573.db2.gz QVSOKAQNDXXIAA-RBSFLKMASA-N 2 1 285.432 -0.014 20 0 CBADMP CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246023031 825624754 /nfs/dbraw/zinc/62/47/54/825624754.db2.gz RTCQXVLQFRWTFM-SMDDNHRTSA-N 2 1 288.388 -0.135 20 0 CBADMP [NH3+]C[C@@]1(O)CCCC[N@H+](C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001246025091 825625740 /nfs/dbraw/zinc/62/57/40/825625740.db2.gz SGFPXCOFHJAHON-QWHCGFSZSA-N 3 1 257.378 -0.723 20 0 CBADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001246025091 825625746 /nfs/dbraw/zinc/62/57/46/825625746.db2.gz SGFPXCOFHJAHON-QWHCGFSZSA-N 3 1 257.378 -0.723 20 0 CBADMP [NH3+][C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C[C@H]1O ZINC001246025176 825626662 /nfs/dbraw/zinc/62/66/62/825626662.db2.gz SPPWNVJMHSCQNH-RRFJBIMHSA-N 2 1 280.368 -0.042 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2)C[C@H]1O ZINC001246025176 825626668 /nfs/dbraw/zinc/62/66/68/825626668.db2.gz SPPWNVJMHSCQNH-RRFJBIMHSA-N 2 1 280.368 -0.042 20 0 CBADMP O[C@H](C[N@H+]1CCNC2(CC[NH2+]CC2)C1)C(F)(F)F ZINC001246029797 825627162 /nfs/dbraw/zinc/62/71/62/825627162.db2.gz MLSXFGUWUJHYOW-SECBINFHSA-N 2 1 267.295 -0.063 20 0 CBADMP CC(C)(C)OC[C@@H](O)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246029580 825627275 /nfs/dbraw/zinc/62/72/75/825627275.db2.gz QHVUWLLSIRLZRU-GXTWGEPZSA-N 2 1 271.405 -0.200 20 0 CBADMP CC(C)OC[C@H](O)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246031968 825627446 /nfs/dbraw/zinc/62/74/46/825627446.db2.gz XCOGYOYUGWCQLS-OLZOCXBDSA-N 2 1 257.378 -0.590 20 0 CBADMP CCCOC[C@H](O)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246029114 825628246 /nfs/dbraw/zinc/62/82/46/825628246.db2.gz VHUGHTHDKANIJZ-OLZOCXBDSA-N 2 1 257.378 -0.589 20 0 CBADMP CCCOC[C@H](O)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246029114 825628251 /nfs/dbraw/zinc/62/82/51/825628251.db2.gz VHUGHTHDKANIJZ-OLZOCXBDSA-N 2 1 257.378 -0.589 20 0 CBADMP CCCOC[C@@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246032418 825628302 /nfs/dbraw/zinc/62/83/02/825628302.db2.gz SSKWYRNWNUYZDY-ZDUSSCGKSA-N 2 1 271.405 -0.199 20 0 CBADMP CCCOC[C@H](O)C[NH+]1CCC([C@@H]([NH3+])C(=O)OC)CC1 ZINC001246047963 825628485 /nfs/dbraw/zinc/62/84/85/825628485.db2.gz GAVJGUZNJYWYAC-CHWSQXEVSA-N 2 1 288.388 -0.014 20 0 CBADMP CCCOC[C@H](O)C[NH+]1CCC([C@H]([NH3+])C(=O)OC)CC1 ZINC001246047965 825628543 /nfs/dbraw/zinc/62/85/43/825628543.db2.gz GAVJGUZNJYWYAC-OLZOCXBDSA-N 2 1 288.388 -0.014 20 0 CBADMP O[C@H](CN1CC[NH2+]C[C@]12CC[NH2+]C2)C(F)(F)F ZINC001246032647 825629358 /nfs/dbraw/zinc/62/93/58/825629358.db2.gz ZEMVFGCQLMIAJT-RKDXNWHRSA-N 2 1 253.268 -0.453 20 0 CBADMP CC(C)[C@@H](O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246054471 825630381 /nfs/dbraw/zinc/63/03/81/825630381.db2.gz JMAKOQFQVWZBLZ-ZDUSSCGKSA-N 2 1 258.410 -0.912 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](C)[NH2+]C2)CN1 ZINC001246094586 825634589 /nfs/dbraw/zinc/63/45/89/825634589.db2.gz ISBJBMBXWNZQLU-NOOOWODRSA-N 2 1 255.362 -0.132 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CC[C@H]2C)CN1 ZINC001246108538 825635927 /nfs/dbraw/zinc/63/59/27/825635927.db2.gz BVXTVCOOYSWQIR-WYUUTHIRSA-N 2 1 255.362 -0.275 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2C)CN1 ZINC001246108072 825636106 /nfs/dbraw/zinc/63/61/06/825636106.db2.gz BVXTVCOOYSWQIR-BJDJZHNGSA-N 2 1 255.362 -0.275 20 0 CBADMP CCOC(=O)c1c(C[NH3+])ncn1[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246097666 825636264 /nfs/dbraw/zinc/63/62/64/825636264.db2.gz ZVIMTRGERCCQEH-JTQLQIEISA-N 2 1 293.371 -0.215 20 0 CBADMP CS(=O)(=O)N1CCC([NH2+][C@H]2C[NH2+]CC23CC3)CC1 ZINC001246135704 825638455 /nfs/dbraw/zinc/63/84/55/825638455.db2.gz URGGXSZZHSFORB-NSHDSACASA-N 2 1 273.402 -0.248 20 0 CBADMP C[C@@H]1CC[C@H](NCc2cc(=O)n3c(n2)C[NH2+]CCC3)C[NH2+]1 ZINC001246134382 825638932 /nfs/dbraw/zinc/63/89/32/825638932.db2.gz UHPACGHHYGPUAY-NEPJUHHUSA-N 2 1 291.399 -0.033 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2COCCC23C[NH2+]C3)CN1 ZINC001246137905 825639389 /nfs/dbraw/zinc/63/93/89/825639389.db2.gz JRRAVXKOKOQQQF-SRVKXCTJSA-N 2 1 283.372 -0.752 20 0 CBADMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246149164 825641018 /nfs/dbraw/zinc/64/10/18/825641018.db2.gz ABZRXWBQTJQDMI-RYUDHWBXSA-N 3 1 285.388 -0.232 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@]13CC[NH2+][C@@H]1CC(=O)N3)C2 ZINC001246155045 825643214 /nfs/dbraw/zinc/64/32/14/825643214.db2.gz WUZNOCNNMXBAIM-CYRBOEJBSA-N 2 1 264.373 -0.221 20 0 CBADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246201349 825649616 /nfs/dbraw/zinc/64/96/16/825649616.db2.gz PFWVOVMJAJAZPQ-JHJVBQTASA-N 3 1 296.415 -0.789 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2C[NH2+]CC[C@H]2F)C[NH2+]1 ZINC001246218451 825651729 /nfs/dbraw/zinc/65/17/29/825651729.db2.gz SYOLDLIJMIOLOS-SRRSOLGSSA-N 2 1 273.352 -0.040 20 0 CBADMP CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1)C(N)=O ZINC001246269123 825657889 /nfs/dbraw/zinc/65/78/89/825657889.db2.gz KXXUUCUFFQZLAB-UHTWSYAYSA-N 2 1 284.404 -0.123 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH+]2CCN(CCC[NH3+])CC2)CN1 ZINC001246266826 825658305 /nfs/dbraw/zinc/65/83/05/825658305.db2.gz RWQNQVLWZAVUDA-STQMWFEESA-N 2 1 284.404 -0.754 20 0 CBADMP COC(=O)C1CCC([NH2+][C@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246299864 825661886 /nfs/dbraw/zinc/66/18/86/825661886.db2.gz NSODXOKFCJFVOI-ADPBJBESSA-N 2 1 256.346 -0.112 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC2(C)C)CN1 ZINC001246373959 825670254 /nfs/dbraw/zinc/67/02/54/825670254.db2.gz SIGJALADLLMLQW-GARJFASQSA-N 2 1 255.362 -0.132 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC23C[NH2+]C3)CN1 ZINC001246442311 825673211 /nfs/dbraw/zinc/67/32/11/825673211.db2.gz CVZCRNYCUCLMJK-VWYCJHECSA-N 2 1 253.346 -0.378 20 0 CBADMP CC(C)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NCC(N)=O ZINC001246447935 825673503 /nfs/dbraw/zinc/67/35/03/825673503.db2.gz IJHMWTDPPQNDRL-HNGCFSAESA-N 2 1 296.415 -0.125 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](NCCC[NH2+]CCCC[NH3+])CCN1 ZINC001246457115 825675017 /nfs/dbraw/zinc/67/50/17/825675017.db2.gz NDBDGGQGVBYVND-STQMWFEESA-N 2 1 286.420 -0.412 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2F)C[NH2+]1 ZINC001246483380 825675882 /nfs/dbraw/zinc/67/58/82/825675882.db2.gz SYOLDLIJMIOLOS-MEWQQHAOSA-N 2 1 273.352 -0.040 20 0 CBADMP [NH3+]CCCC[NH+]1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246477995 825676419 /nfs/dbraw/zinc/67/64/19/825676419.db2.gz LDYPIZPMNYLNOQ-CQSZACIVSA-N 3 1 281.448 -0.563 20 0 CBADMP COC[C@@H]1C[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CN1 ZINC001246468308 825676598 /nfs/dbraw/zinc/67/65/98/825676598.db2.gz WXKNIZZBBLFVGO-TUAOUCFPSA-N 2 1 254.378 -0.953 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C2C[NH2+]C2)CN1 ZINC001246512800 825678568 /nfs/dbraw/zinc/67/85/68/825678568.db2.gz CEDNRVPTWLJYEA-SRVKXCTJSA-N 2 1 253.346 -0.523 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])N[C@@H]1CCC[NH2+]CC1 ZINC001246512030 825678808 /nfs/dbraw/zinc/67/88/08/825678808.db2.gz KTKNPQHWQWGMPP-NEPJUHHUSA-N 2 1 256.394 -0.038 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CCC[NH2+]CC1 ZINC001246525405 825679701 /nfs/dbraw/zinc/67/97/01/825679701.db2.gz PAMWFODFOWGDOT-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCC[NH2+]CC1 ZINC001246525405 825679707 /nfs/dbraw/zinc/67/97/07/825679707.db2.gz PAMWFODFOWGDOT-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CCC[NH2+]CC1 ZINC001246524761 825679914 /nfs/dbraw/zinc/67/99/14/825679914.db2.gz PAMWFODFOWGDOT-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCC[NH2+]CC1 ZINC001246524761 825679917 /nfs/dbraw/zinc/67/99/17/825679917.db2.gz PAMWFODFOWGDOT-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246521153 825680302 /nfs/dbraw/zinc/68/03/02/825680302.db2.gz WVFPQIRUSNQFOO-GHMZBOCLSA-N 2 1 252.362 -0.722 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246521154 825680469 /nfs/dbraw/zinc/68/04/69/825680469.db2.gz WVFPQIRUSNQFOO-MNOVXSKESA-N 2 1 252.362 -0.722 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCN(CC[NH+](C)C)CC2)C[NH2+]1 ZINC001246529155 825681948 /nfs/dbraw/zinc/68/19/48/825681948.db2.gz IPEXOXLPVIRQOQ-STQMWFEESA-N 2 1 284.404 -0.931 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@H+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC001246543926 825682758 /nfs/dbraw/zinc/68/27/58/825682758.db2.gz OWVAPSXARPMYQZ-QWRGUYRKSA-N 2 1 262.375 -0.651 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246544742 825682844 /nfs/dbraw/zinc/68/28/44/825682844.db2.gz SLVZVVUNDJHASJ-IPYPFGDCSA-N 2 1 299.415 -0.154 20 0 CBADMP CN(C[C@@H]1C[NH2+]CCO1)[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246547446 825683101 /nfs/dbraw/zinc/68/31/01/825683101.db2.gz IGKPQQBWEFBDRL-AVGNSLFASA-N 2 1 299.415 -0.021 20 0 CBADMP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)CCN1 ZINC001246541928 825683356 /nfs/dbraw/zinc/68/33/56/825683356.db2.gz HTDUVPMAFHLNBV-KCQAQPDRSA-N 2 1 299.415 -0.154 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)CN1 ZINC001246544449 825683418 /nfs/dbraw/zinc/68/34/18/825683418.db2.gz WCDXANIOMUNCEI-NGDQXYMTSA-N 2 1 253.346 -0.584 20 0 CBADMP COC(=O)[C@]1(F)CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246548530 825684092 /nfs/dbraw/zinc/68/40/92/825684092.db2.gz IZOCEUWXAORKHV-GWCFXTLKSA-N 2 1 271.336 -0.333 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@@H](C)CC[C@@H]2C[NH3+])C[NH2+]1 ZINC001246555278 825684235 /nfs/dbraw/zinc/68/42/35/825684235.db2.gz GFHFOVLZQQLLJI-USZNOCQGSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1C[NH3+] ZINC001246551961 825684340 /nfs/dbraw/zinc/68/43/40/825684340.db2.gz MVBAHGDNOZVYEP-UPJWGTAASA-N 3 1 252.406 -0.003 20 0 CBADMP [NH3+]C[C@]1(O)CCCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246557444 825684422 /nfs/dbraw/zinc/68/44/22/825684422.db2.gz INEBBMLQPDSPFG-TZMCWYRMSA-N 3 1 268.405 -0.744 20 0 CBADMP NC[C@]1(O)CCCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246557444 825684425 /nfs/dbraw/zinc/68/44/25/825684425.db2.gz INEBBMLQPDSPFG-TZMCWYRMSA-N 2 1 268.405 -0.744 20 0 CBADMP NC[C@]1(O)CCCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246557444 825684428 /nfs/dbraw/zinc/68/44/28/825684428.db2.gz INEBBMLQPDSPFG-TZMCWYRMSA-N 2 1 268.405 -0.744 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@H](C)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246548337 825684684 /nfs/dbraw/zinc/68/46/84/825684684.db2.gz GENWKUUEPDLRLX-BJDJZHNGSA-N 2 1 255.362 -0.193 20 0 CBADMP C[N@@H+](C[C@H]1CNCCO1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246556059 825684732 /nfs/dbraw/zinc/68/47/32/825684732.db2.gz HMNUAIAFLQOQCM-VXGBXAGGSA-N 2 1 254.378 -0.999 20 0 CBADMP CC(=O)N1CC[C@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246561686 825685695 /nfs/dbraw/zinc/68/56/95/825685695.db2.gz SBMZZRKOOPRETC-QWHCGFSZSA-N 2 1 255.362 -0.217 20 0 CBADMP CC(=O)N1CC[C@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246561686 825685697 /nfs/dbraw/zinc/68/56/97/825685697.db2.gz SBMZZRKOOPRETC-QWHCGFSZSA-N 2 1 255.362 -0.217 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)CCN1 ZINC001246565681 825686453 /nfs/dbraw/zinc/68/64/53/825686453.db2.gz ZJHJYWNUPPWYJK-IPYPFGDCSA-N 2 1 299.415 -0.154 20 0 CBADMP COC(=O)[C@H]1C[C@@H](N2CCCC[C@](O)(C[NH3+])C2)C[NH2+]1 ZINC001246559895 825686518 /nfs/dbraw/zinc/68/65/18/825686518.db2.gz OGDZHNIUQTUHIW-WZRBSPASSA-N 2 1 271.361 -0.934 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246565818 825686622 /nfs/dbraw/zinc/68/66/22/825686622.db2.gz ZSTKCJZFXLNEGP-AEJSXWLSSA-N 2 1 277.315 -0.194 20 0 CBADMP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)CCN1 ZINC001246565685 825686650 /nfs/dbraw/zinc/68/66/50/825686650.db2.gz ZJHJYWNUPPWYJK-YDHLFZDLSA-N 2 1 299.415 -0.154 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246559844 825686887 /nfs/dbraw/zinc/68/68/87/825686887.db2.gz FINPLHGWLSRAIT-IJLUTSLNSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246559844 825686888 /nfs/dbraw/zinc/68/68/88/825686888.db2.gz FINPLHGWLSRAIT-IJLUTSLNSA-N 2 1 255.362 -0.097 20 0 CBADMP [NH3+]C[C@@]1(O)CCCC[N@H+](C2C[C@@H]3COC[C@H](C2)N3)C1 ZINC001246558986 825686895 /nfs/dbraw/zinc/68/68/95/825686895.db2.gz MSASVPVIBUZAFJ-PIGZVRMJSA-N 2 1 269.389 -0.319 20 0 CBADMP N[C@@H]1C[N@@H+](C2CCC3(CC2)C[NH2+]CCO3)CC[C@H]1O ZINC001246568314 825687159 /nfs/dbraw/zinc/68/71/59/825687159.db2.gz QTAQPSUJNOBZPO-CEUNDQEZSA-N 2 1 269.389 -0.319 20 0 CBADMP N[C@@H]1C[N@H+](C2CCC3(CC2)C[NH2+]CCO3)CC[C@H]1O ZINC001246568314 825687162 /nfs/dbraw/zinc/68/71/62/825687162.db2.gz QTAQPSUJNOBZPO-CEUNDQEZSA-N 2 1 269.389 -0.319 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]([NH3+])[C@@H](F)CC2)C[NH2+]1 ZINC001246568587 825687315 /nfs/dbraw/zinc/68/73/15/825687315.db2.gz AHRKEUQNISUQHZ-MMWGEVLESA-N 2 1 259.325 -0.349 20 0 CBADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCN3C(=O)CC[C@H]3C2)C[C@H]1O ZINC001246569639 825687699 /nfs/dbraw/zinc/68/76/99/825687699.db2.gz RGZRSWAFOPZGIR-NNYUYHANSA-N 2 1 253.346 -0.466 20 0 CBADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCN3C(=O)CC[C@H]3C2)C[C@H]1O ZINC001246569640 825687714 /nfs/dbraw/zinc/68/77/14/825687714.db2.gz RGZRSWAFOPZGIR-WRWGMCAJSA-N 2 1 253.346 -0.466 20 0 CBADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCN(C3CC3)C(=O)C2)C[C@H]1O ZINC001246569001 825688098 /nfs/dbraw/zinc/68/80/98/825688098.db2.gz PFVAJTHCYPLBRK-QJPTWQEYSA-N 2 1 253.346 -0.466 20 0 CBADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCN3C(=O)CC[C@@H]3C2)C[C@H]1O ZINC001246569637 825688197 /nfs/dbraw/zinc/68/81/97/825688197.db2.gz RGZRSWAFOPZGIR-IRCOFANPSA-N 2 1 253.346 -0.466 20 0 CBADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246578114 825688594 /nfs/dbraw/zinc/68/85/94/825688594.db2.gz FXGPQPKVVPCEOM-NOOOWODRSA-N 2 1 256.346 -0.030 20 0 CBADMP O[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1F ZINC001246575915 825688890 /nfs/dbraw/zinc/68/88/90/825688890.db2.gz LOTIRDCEFSEJBV-SDDRHHMPSA-N 2 1 257.353 -0.125 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCN[C@H](C(F)(F)F)C2)C[C@@H]1O ZINC001246582534 825691071 /nfs/dbraw/zinc/69/10/71/825691071.db2.gz GWDRFIFFBDSFBG-JXUBOQSCSA-N 2 1 267.295 -0.079 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCC[C@H](n3ncnn3)C2)C[C@H]1O ZINC001246580771 825691109 /nfs/dbraw/zinc/69/11/09/825691109.db2.gz OVOADNQPNRZOBA-WHOHXGKFSA-N 2 1 266.349 -0.592 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCN3C(=O)CC[C@H]3C2)C[C@@H]1O ZINC001246583169 825691129 /nfs/dbraw/zinc/69/11/29/825691129.db2.gz ILHKFOFJUJUYTE-USZNOCQGSA-N 2 1 253.346 -0.609 20 0 CBADMP COC(=O)N1CCC([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246583203 825691222 /nfs/dbraw/zinc/69/12/22/825691222.db2.gz IPYRGGNADSJJKM-ONGXEEELSA-N 2 1 257.334 -0.531 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1O ZINC001246583592 825691236 /nfs/dbraw/zinc/69/12/36/825691236.db2.gz JWQKBSDQXHRNJC-RJZJGCCBSA-N 3 1 269.389 -0.461 20 0 CBADMP C[C@]1(CO)C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1O ZINC001246593177 825692066 /nfs/dbraw/zinc/69/20/66/825692066.db2.gz RNDQGSMUMOSJAP-YNEHKIRRSA-N 2 1 269.389 -0.854 20 0 CBADMP COC[C@H]1CNCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246590936 825692759 /nfs/dbraw/zinc/69/27/59/825692759.db2.gz BGBMHLPZRMNCJU-NWDGAFQWSA-N 2 1 254.378 -0.999 20 0 CBADMP COC[C@H]1CNCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246590936 825692762 /nfs/dbraw/zinc/69/27/62/825692762.db2.gz BGBMHLPZRMNCJU-NWDGAFQWSA-N 2 1 254.378 -0.999 20 0 CBADMP COC(=O)N1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246596461 825692839 /nfs/dbraw/zinc/69/28/39/825692839.db2.gz QQLTXPVDTFVITM-LBPRGKRZSA-N 2 1 282.388 -0.146 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@]3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246599214 825694115 /nfs/dbraw/zinc/69/41/15/825694115.db2.gz BDQULJWEMFRGEE-SGMGOOAPSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246600332 825694521 /nfs/dbraw/zinc/69/45/21/825694521.db2.gz GCSHMTXYVPFNAW-OLZOCXBDSA-N 2 1 296.415 -0.693 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@]3(CCC[NH2+]3)C2)C[NH2+]1 ZINC001246613925 825695047 /nfs/dbraw/zinc/69/50/47/825695047.db2.gz LQODJYNEOWDNQW-GVXVVHGQSA-N 2 1 253.346 -0.282 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CCOCC3(CC[NH2+]CC3)C2)CN1 ZINC001246616346 825695598 /nfs/dbraw/zinc/69/55/98/825695598.db2.gz VUDWCPJLBNCQAQ-STQMWFEESA-N 2 1 297.399 -0.408 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCN[C@H]3CC[NH2+]CC[C@@H]31)CCO2 ZINC001246618035 825695943 /nfs/dbraw/zinc/69/59/43/825695943.db2.gz JMKBWNDYGRQWSN-RDBSUJKOSA-N 3 1 280.416 -0.467 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1CC[NH2+]C[C@]13CC[NH2+]C3)CS2 ZINC001246620901 825697158 /nfs/dbraw/zinc/69/71/58/825697158.db2.gz BOPOXJHNMJUUAG-VXGBXAGGSA-N 3 1 268.430 -0.529 20 0 CBADMP CCN1CC[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)CC1=O ZINC001246631031 825697697 /nfs/dbraw/zinc/69/76/97/825697697.db2.gz QWENBFUUHKSATH-JSGCOSHPSA-N 2 1 266.389 -0.365 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1CCNC[C@]3(CCCC[NH2+]3)C1)CCN2 ZINC001246631890 825698216 /nfs/dbraw/zinc/69/82/16/825698216.db2.gz UTLVAMGJLMLGMB-LSDHHAIUSA-N 2 1 293.459 -0.502 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC[C@@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246631154 825698325 /nfs/dbraw/zinc/69/83/25/825698325.db2.gz RDZRYQKAKWXMRR-DYEKYZERSA-N 2 1 267.373 -0.035 20 0 CBADMP [NH3+]CC1(F)CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001246629822 825698333 /nfs/dbraw/zinc/69/83/33/825698333.db2.gz QBAGYSJIEQYRCR-SECBINFHSA-N 2 1 250.339 -0.064 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)CCN1 ZINC001246625925 825698355 /nfs/dbraw/zinc/69/83/55/825698355.db2.gz QFURERXKBVZNKX-VNHYZAJKSA-N 2 1 296.415 -0.693 20 0 CBADMP CC(=O)N1CCC[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001246630966 825698379 /nfs/dbraw/zinc/69/83/79/825698379.db2.gz QFLYMXVYRFRSHL-ZIAGYGMSSA-N 2 1 266.389 -0.365 20 0 CBADMP C1CC[C@]2(CNCCN(C3C[C@@H]4COC[C@H](C3)[NH2+]4)C2)[NH2+]C1 ZINC001246631362 825698405 /nfs/dbraw/zinc/69/84/05/825698405.db2.gz RZSWHBHXRFIMJH-VFSICIBPSA-N 2 1 294.443 -0.077 20 0 CBADMP CCN1CC[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)CC1=O ZINC001246631039 825698538 /nfs/dbraw/zinc/69/85/38/825698538.db2.gz QWENBFUUHKSATH-TZMCWYRMSA-N 2 1 266.389 -0.365 20 0 CBADMP c1nnn([C@@H]2CCC[C@H](N3CC[NH2+]C[C@@]34CC[NH2+]C4)C2)n1 ZINC001246632677 825699234 /nfs/dbraw/zinc/69/92/34/825699234.db2.gz WLPXAFZOXOXIFC-MJBXVCDLSA-N 2 1 291.403 -0.206 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[NH2+]1 ZINC001246634991 825699288 /nfs/dbraw/zinc/69/92/88/825699288.db2.gz IRAYVKJVPQBJBU-FIQHERPVSA-N 2 1 253.346 -0.426 20 0 CBADMP C1C[C@@]2(C[NH2+]1)C[N@H+]([C@@H]1C[C@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246641206 825700347 /nfs/dbraw/zinc/70/03/47/825700347.db2.gz HWQCZUWBNUXQAC-ZOBORPQBSA-N 3 1 250.390 -0.378 20 0 CBADMP O=C1C[C@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC001246643745 825700698 /nfs/dbraw/zinc/70/06/98/825700698.db2.gz PWZUYFDHHJSMMB-UKRRQHHQSA-N 2 1 278.400 -0.223 20 0 CBADMP C1C[C@@]2(C[NH2+]1)C[N@@H+](C1C[C@@H]3COC[C@H](C1)N3)CCN2 ZINC001246644272 825701145 /nfs/dbraw/zinc/70/11/45/825701145.db2.gz RQJCPSRFLZAGAS-QNMSZWNNSA-N 2 1 266.389 -0.857 20 0 CBADMP C1C[C@@]2(C[NH2+]1)C[N@H+](C1C[C@@H]3COC[C@H](C1)N3)CCN2 ZINC001246644272 825701154 /nfs/dbraw/zinc/70/11/54/825701154.db2.gz RQJCPSRFLZAGAS-QNMSZWNNSA-N 2 1 266.389 -0.857 20 0 CBADMP C1C[C@@]2(C[NH2+]1)C[N@H+](C1CCC3(CC1)C[NH2+]CCO3)CCN2 ZINC001246645017 825701518 /nfs/dbraw/zinc/70/15/18/825701518.db2.gz SMTFEISSZFYZLI-HWOWSKLDSA-N 3 1 294.443 -0.075 20 0 CBADMP C1C[C@@]2(C[NH2+]1)CN(C1CCC3(CC1)C[NH2+]CCO3)CCN2 ZINC001246645017 825701523 /nfs/dbraw/zinc/70/15/23/825701523.db2.gz SMTFEISSZFYZLI-HWOWSKLDSA-N 2 1 294.443 -0.075 20 0 CBADMP CC(=O)N1CCC[C@@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246646158 825702015 /nfs/dbraw/zinc/70/20/15/825702015.db2.gz WRXJNKCPZPSAED-KGLIPLIRSA-N 2 1 266.389 -0.365 20 0 CBADMP CC(=O)N1CCC[C@@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246646158 825702021 /nfs/dbraw/zinc/70/20/21/825702021.db2.gz WRXJNKCPZPSAED-KGLIPLIRSA-N 2 1 266.389 -0.365 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N2CC[NH2+]C[C@@H]2C)C[NH2+]1 ZINC001246671007 825704838 /nfs/dbraw/zinc/70/48/38/825704838.db2.gz FISSJFYADDDUMR-DMDPSCGWSA-N 2 1 255.362 -0.036 20 0 CBADMP O=C1NCC[C@@]12CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246668815 825705311 /nfs/dbraw/zinc/70/53/11/825705311.db2.gz OPPYHGQGKGOOFB-AAEUAGOBSA-N 2 1 264.373 -0.708 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)CN1 ZINC001246688574 825706256 /nfs/dbraw/zinc/70/62/56/825706256.db2.gz GCVRIHACLQBOOA-KXNHARMFSA-N 2 1 285.363 -0.101 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)CN1 ZINC001246688574 825706259 /nfs/dbraw/zinc/70/62/59/825706259.db2.gz GCVRIHACLQBOOA-KXNHARMFSA-N 2 1 285.363 -0.101 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)C[NH2+]1 ZINC001246688574 825706263 /nfs/dbraw/zinc/70/62/63/825706263.db2.gz GCVRIHACLQBOOA-KXNHARMFSA-N 2 1 285.363 -0.101 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H](C3C[NH2+]C3)C2)CN1 ZINC001246681002 825706806 /nfs/dbraw/zinc/70/68/06/825706806.db2.gz ZABFCWGYAYHADQ-DRZSPHRISA-N 2 1 267.373 -0.179 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)C[NH2+]1 ZINC001246694426 825707617 /nfs/dbraw/zinc/70/76/17/825707617.db2.gz RIMBVBUCIUNWNL-MNXVOIDGSA-N 2 1 285.363 -0.087 20 0 CBADMP CC(=O)N1CC(=O)NC[C@]12CC[N@@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246760009 825709289 /nfs/dbraw/zinc/70/92/89/825709289.db2.gz NVYFVBZWVUQSOS-WHOFXGATSA-N 2 1 294.399 -0.450 20 0 CBADMP CC(=O)N1CC(=O)NC[C@]12CC[N@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246760009 825709293 /nfs/dbraw/zinc/70/92/93/825709293.db2.gz NVYFVBZWVUQSOS-WHOFXGATSA-N 2 1 294.399 -0.450 20 0 CBADMP CC[N@@H+]1CCO[C@@H]2CN([C@@H]3C[NH2+][C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246749772 825709311 /nfs/dbraw/zinc/70/93/11/825709311.db2.gz DUXIZUYTCFYQMJ-XDQVBPFNSA-N 2 1 297.399 -0.458 20 0 CBADMP CC[N@H+]1CCO[C@@H]2CN([C@@H]3C[NH2+][C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246749772 825709315 /nfs/dbraw/zinc/70/93/15/825709315.db2.gz DUXIZUYTCFYQMJ-XDQVBPFNSA-N 2 1 297.399 -0.458 20 0 CBADMP C1[NH2+]CC12CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246789694 825711045 /nfs/dbraw/zinc/71/10/45/825711045.db2.gz FEBSXAVRJWNWJB-GFCCVEGCSA-N 3 1 250.390 -0.234 20 0 CBADMP C1[NH2+]CC12CCCN([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246789694 825711048 /nfs/dbraw/zinc/71/10/48/825711048.db2.gz FEBSXAVRJWNWJB-GFCCVEGCSA-N 2 1 250.390 -0.234 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCN(C3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246795495 825711739 /nfs/dbraw/zinc/71/17/39/825711739.db2.gz MQMKZZKCBZMOLP-KBPBESRZSA-N 2 1 296.415 -0.741 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246792595 825712281 /nfs/dbraw/zinc/71/22/81/825712281.db2.gz AIQXESOVBLILTE-OLZOCXBDSA-N 2 1 280.416 -0.119 20 0 CBADMP Cn1cc2c(n1)CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246801849 825713087 /nfs/dbraw/zinc/71/30/87/825713087.db2.gz HHNGCTOIIZNJTB-LBPRGKRZSA-N 2 1 261.373 -0.128 20 0 CBADMP COCCCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)[C@@H]1CCC[NH2+]C1 ZINC001246806303 825713622 /nfs/dbraw/zinc/71/36/22/825713622.db2.gz HPBFSNSSSLPWIH-MCIONIFRSA-N 2 1 299.415 -0.020 20 0 CBADMP COCCCN([C@@H]1C[NH2+][C@@H](C(=O)OC)C1)[C@@H]1CCC[NH2+]C1 ZINC001246806299 825713758 /nfs/dbraw/zinc/71/37/58/825713758.db2.gz HPBFSNSSSLPWIH-HZSPNIEDSA-N 2 1 299.415 -0.020 20 0 CBADMP COCCC[NH+]1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246817868 825714209 /nfs/dbraw/zinc/71/42/09/825714209.db2.gz NNVIDZCBHOHEGM-AWEZNQCLSA-N 2 1 282.432 -0.266 20 0 CBADMP CCOC(=O)[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246814169 825715319 /nfs/dbraw/zinc/71/53/19/825715319.db2.gz ODHDAIDJBXHFBR-RYUDHWBXSA-N 2 1 283.372 -0.656 20 0 CBADMP O=c1[nH]c2c(c(=O)[nH]1)C[N@H+](C1CC[NH2+]CC1)CC2 ZINC001246820304 825715825 /nfs/dbraw/zinc/71/58/25/825715825.db2.gz NYHQOMPHBSFWRM-UHFFFAOYSA-N 2 1 250.302 -0.002 20 0 CBADMP O=c1[nH]c2c(c(=O)[nH]1)C[N@@H+](C1CC[NH2+]CC1)CC2 ZINC001246820304 825715827 /nfs/dbraw/zinc/71/58/27/825715827.db2.gz NYHQOMPHBSFWRM-UHFFFAOYSA-N 2 1 250.302 -0.002 20 0 CBADMP CCOCC[C@@H](C)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246819766 825715963 /nfs/dbraw/zinc/71/59/63/825715963.db2.gz IJNXALVLAYWECW-CQSZACIVSA-N 2 1 272.437 -0.114 20 0 CBADMP C[C@H]1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CCO1 ZINC001246822891 825717075 /nfs/dbraw/zinc/71/70/75/825717075.db2.gz TVUJURUXNQIBNU-KBPBESRZSA-N 2 1 270.421 -0.362 20 0 CBADMP COCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246837131 825718927 /nfs/dbraw/zinc/71/89/27/825718927.db2.gz QOEWWONLRRQNCT-AWEZNQCLSA-N 3 1 282.432 -0.219 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])C[NH2+]1 ZINC001246840836 825720336 /nfs/dbraw/zinc/72/03/36/825720336.db2.gz KWNCYCDERFETND-OSUNSFLBSA-N 2 1 253.346 -0.441 20 0 CBADMP CN(C)C(=O)CC[N@@H+](C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246843765 825721619 /nfs/dbraw/zinc/72/16/19/825721619.db2.gz WCBIIQLBEGTQDD-NSHDSACASA-N 2 1 254.378 -0.510 20 0 CBADMP CCOC(=O)[C@]12C[N@H+]([C@@H]3CCNC(=O)C3)C[C@H]1C[NH2+]CC2 ZINC001246859463 825724024 /nfs/dbraw/zinc/72/40/24/825724024.db2.gz PBXCDRHJPKKTRH-LALPHHSUSA-N 2 1 295.383 -0.260 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@H]3CNC(=O)C3)C[C@H]1C2 ZINC001246859679 825724308 /nfs/dbraw/zinc/72/43/08/825724308.db2.gz QLRJVTGRIWGIQM-OVKLUEDNSA-N 2 1 293.367 -0.795 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246869154 825726362 /nfs/dbraw/zinc/72/63/62/825726362.db2.gz FKKMONKEHTVIDD-OLZOCXBDSA-N 2 1 284.404 -0.883 20 0 CBADMP CC(=O)N1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1C ZINC001246887180 825727779 /nfs/dbraw/zinc/72/77/79/825727779.db2.gz JQYXWCFVVGUOAE-WCQYABFASA-N 2 1 266.389 -0.367 20 0 CBADMP CCN1C[C@@H](C)[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246902670 825728367 /nfs/dbraw/zinc/72/83/67/825728367.db2.gz LSUYBEVZVGCTLO-NEPJUHHUSA-N 2 1 266.389 -0.367 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC(O)([C@@H]3CCCC[NH2+]3)C2)C[NH2+]1 ZINC001246901473 825728413 /nfs/dbraw/zinc/72/84/13/825728413.db2.gz YBCZUOFZJMRSEU-WOPDTQHZSA-N 2 1 283.372 -0.921 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N2C[C@@H]([NH3+])C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246909480 825729926 /nfs/dbraw/zinc/72/99/26/825729926.db2.gz XMAAMHCJAHWISN-BBGACYKPSA-N 2 1 299.371 -0.755 20 0 CBADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCCO1 ZINC001246912076 825730182 /nfs/dbraw/zinc/73/01/82/825730182.db2.gz QGDDKBWBSXKCHC-NEPJUHHUSA-N 2 1 283.372 -0.656 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@H]3C[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246921483 825731102 /nfs/dbraw/zinc/73/11/02/825731102.db2.gz SGLIDYIGMULZJT-MPPDQPJWSA-N 2 1 253.346 -0.426 20 0 CBADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246920354 825731574 /nfs/dbraw/zinc/73/15/74/825731574.db2.gz MXFQMPZZCUDPPJ-WDNDVIMCSA-N 4 1 297.447 -0.900 20 0 CBADMP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246920354 825731578 /nfs/dbraw/zinc/73/15/78/825731578.db2.gz MXFQMPZZCUDPPJ-WDNDVIMCSA-N 3 1 297.447 -0.900 20 0 CBADMP COC(=O)[C@@H]1C[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)C[C@@H]1N ZINC001246929428 825732539 /nfs/dbraw/zinc/73/25/39/825732539.db2.gz CYDLIQQXFJBKEP-AXFHLTTASA-N 2 1 253.346 -0.439 20 0 CBADMP COCCN([C@H]1CC[NH2+]C1)[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246929394 825732671 /nfs/dbraw/zinc/73/26/71/825732671.db2.gz ODCJARZNELWAOD-SRVKXCTJSA-N 2 1 271.361 -0.800 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+]([C@H]2CSC3(C[NH2+]C3)C2)C[C@@H]1N ZINC001246930022 825733194 /nfs/dbraw/zinc/73/31/94/825733194.db2.gz JPOAQLYPDRJQSD-BBBLOLIVSA-N 2 1 271.386 -0.734 20 0 CBADMP COC(=O)[C@@H]1C[N@H+]([C@H]2CSC3(C[NH2+]C3)C2)C[C@@H]1N ZINC001246930022 825733197 /nfs/dbraw/zinc/73/31/97/825733197.db2.gz JPOAQLYPDRJQSD-BBBLOLIVSA-N 2 1 271.386 -0.734 20 0 CBADMP CCN(C[C@@H]1CC[NH2+]C1)[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246935359 825734170 /nfs/dbraw/zinc/73/41/70/825734170.db2.gz HHQKXDPLIPSQGY-UTUOFQBUSA-N 2 1 255.362 -0.179 20 0 CBADMP COC(=O)[C@@H]1C[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1N ZINC001246931344 825734799 /nfs/dbraw/zinc/73/47/99/825734799.db2.gz NVEAAGAXAUVHRS-ROHXPCBUSA-N 2 1 253.346 -0.584 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C)CCN1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246945153 825735381 /nfs/dbraw/zinc/73/53/81/825735381.db2.gz JVQYOOVNHHMOKO-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C)CCN1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246945153 825735387 /nfs/dbraw/zinc/73/53/87/825735387.db2.gz JVQYOOVNHHMOKO-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP CN(C)C(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246958949 825735731 /nfs/dbraw/zinc/73/57/31/825735731.db2.gz CUXXJQQRAMFVFU-OLZOCXBDSA-N 2 1 295.431 -0.184 20 0 CBADMP COCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246954615 825736321 /nfs/dbraw/zinc/73/63/21/825736321.db2.gz LWVUROVUWHKGTK-CHWSQXEVSA-N 2 1 296.415 -0.693 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCO[C@@H](C[NH+]3CCCC3)C2)C[NH2+]1 ZINC001246980077 825738225 /nfs/dbraw/zinc/73/82/25/825738225.db2.gz QUKLPLUGDBGJTB-IHRRRGAJSA-N 2 1 297.399 -0.314 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2C(F)(F)F)C[NH2+]1 ZINC001246986673 825739674 /nfs/dbraw/zinc/73/96/74/825739674.db2.gz GABZEWWPGHLEAU-CIUDSAMLSA-N 2 1 281.278 -0.274 20 0 CBADMP C[NH+](C)CCNC(=S)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001249835977 825749940 /nfs/dbraw/zinc/74/99/40/825749940.db2.gz QVTYQULANCKCOV-NSHDSACASA-N 2 1 286.445 -0.173 20 0 CBADMP CC[NH+](CC)CCN1CC[NH+](C[C@@H](O)C(=O)OC)CC1 ZINC001252405806 825838966 /nfs/dbraw/zinc/83/89/66/825838966.db2.gz OQEFPTLCDYGROO-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP COC(=O)[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001252419081 825847503 /nfs/dbraw/zinc/84/75/03/825847503.db2.gz FAYCKVNNOSDCQK-NSHDSACASA-N 2 1 256.346 -0.062 20 0 CBADMP CCC[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001252803893 825888349 /nfs/dbraw/zinc/88/83/49/825888349.db2.gz FAFBVCIEDKRACP-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001252819024 825889695 /nfs/dbraw/zinc/88/96/95/825889695.db2.gz UUABFAZCCFQLGH-AWEZNQCLSA-N 2 1 299.415 -0.345 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252816431 825889757 /nfs/dbraw/zinc/88/97/57/825889757.db2.gz ACEHIUUUXQKZNR-LBPRGKRZSA-N 2 1 273.377 -0.910 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@]2(CCNC2=O)C1 ZINC001253182776 825902939 /nfs/dbraw/zinc/90/29/39/825902939.db2.gz TUZRQLSPHKXOCE-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001253186223 825903310 /nfs/dbraw/zinc/90/33/10/825903310.db2.gz MPWPTIYHAJYKRK-UPJWGTAASA-N 2 1 269.389 -0.291 20 0 CBADMP CC[NH+](CC)C[C@@H](O)CNCC[N@H+]1CCC[C@H](O)C1 ZINC001253209678 825905792 /nfs/dbraw/zinc/90/57/92/825905792.db2.gz GYMVVTFFSLJUET-KBPBESRZSA-N 2 1 273.421 -0.265 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001253384795 825911209 /nfs/dbraw/zinc/91/12/09/825911209.db2.gz GUQNYQPCCSNDOS-GHMZBOCLSA-N 2 1 257.378 -0.067 20 0 CBADMP C[N@H+]1CCCN(CCNC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253406212 825913480 /nfs/dbraw/zinc/91/34/80/825913480.db2.gz CWXFWFMRERMMFU-AWEZNQCLSA-N 2 1 286.464 -0.038 20 0 CBADMP C[N@@H+]1CCCN(CC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253406212 825913481 /nfs/dbraw/zinc/91/34/81/825913481.db2.gz CWXFWFMRERMMFU-AWEZNQCLSA-N 3 1 286.464 -0.038 20 0 CBADMP C[N@H+]1CCCN(CC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253406212 825913482 /nfs/dbraw/zinc/91/34/82/825913482.db2.gz CWXFWFMRERMMFU-AWEZNQCLSA-N 3 1 286.464 -0.038 20 0 CBADMP CC(C)(C)[C@@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001253740504 825929833 /nfs/dbraw/zinc/92/98/33/825929833.db2.gz BJWOFXFWUBVHME-LBPRGKRZSA-N 2 1 262.394 -0.340 20 0 CBADMP CC(C)[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001253781008 825931084 /nfs/dbraw/zinc/93/10/84/825931084.db2.gz CZTKFWOPTSTEDX-LBPRGKRZSA-N 2 1 257.378 -0.243 20 0 CBADMP C[N@H+]1CCC[C@H](N(C2C[NH2+]C2)S(C)(=O)=O)CC1 ZINC001254526191 825965931 /nfs/dbraw/zinc/96/59/31/825965931.db2.gz PMWSLBYGDMHPBD-JTQLQIEISA-N 2 1 261.391 -0.296 20 0 CBADMP C[N@H+]1CCC[C@@H](NCCC[NH+](CCO)CCO)CC1 ZINC001254499166 825964447 /nfs/dbraw/zinc/96/44/47/825964447.db2.gz BLOZOSALWOVAHA-CQSZACIVSA-N 2 1 273.421 -0.263 20 0 CBADMP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CC[N@@H+](C)C1 ZINC001255416286 825981555 /nfs/dbraw/zinc/98/15/55/825981555.db2.gz YBAIIDHBTCFHLG-UWVGGRQHSA-N 2 1 271.365 -0.915 20 0 CBADMP CN1CC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001255418663 825981658 /nfs/dbraw/zinc/98/16/58/825981658.db2.gz WUDSQKAVCILCBV-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP C[N@H+]1CC[C@H](N2CCN(CCN3CCOCC3)CC2)C1 ZINC001255435750 825982775 /nfs/dbraw/zinc/98/27/75/825982775.db2.gz LOGVVJPEEOFHFS-HNNXBMFYSA-N 2 1 282.432 -0.360 20 0 CBADMP C[N@@H+]1CC[C@H](N2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC001255435750 825982781 /nfs/dbraw/zinc/98/27/81/825982781.db2.gz LOGVVJPEEOFHFS-HNNXBMFYSA-N 2 1 282.432 -0.360 20 0 CBADMP C[N@H+]1CC[C@H](N2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC001255435750 825982790 /nfs/dbraw/zinc/98/27/90/825982790.db2.gz LOGVVJPEEOFHFS-HNNXBMFYSA-N 2 1 282.432 -0.360 20 0 CBADMP C[N@H+]1CC[C@@H](N([C@@H]2CCC[NH2+]C2)S(C)(=O)=O)C1 ZINC001255441980 825983973 /nfs/dbraw/zinc/98/39/73/825983973.db2.gz RHYFDOODGAVWEX-GHMZBOCLSA-N 2 1 261.391 -0.296 20 0 CBADMP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CCC[N@@H+](C)C1 ZINC001255471387 825984213 /nfs/dbraw/zinc/98/42/13/825984213.db2.gz ZARLRSOGYUYTSK-QWRGUYRKSA-N 2 1 285.392 -0.525 20 0 CBADMP C[N@H+]1CCC[C@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)C1 ZINC001255479676 825986305 /nfs/dbraw/zinc/98/63/05/825986305.db2.gz KRDUBZMYQCCBSZ-QWRGUYRKSA-N 2 1 251.334 -0.495 20 0 CBADMP O=C1CO[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)CN1 ZINC001256068458 826001312 /nfs/dbraw/zinc/00/13/12/826001312.db2.gz DFMUFPJDSQRCCQ-GFCCVEGCSA-N 2 1 253.346 -0.282 20 0 CBADMP C[NH+]1CCC([NH2+]CCNC(=O)N2CCOCC2)CC1 ZINC001256195195 826004297 /nfs/dbraw/zinc/00/42/97/826004297.db2.gz DBNSMFBZQLAEGQ-UHFFFAOYSA-N 2 1 270.377 -0.288 20 0 CBADMP C[N@H+](CCN1CC[NH+](C)CC1)C1CCS(=O)(=O)CC1 ZINC001256392491 826021932 /nfs/dbraw/zinc/02/19/32/826021932.db2.gz RZQBGLLUOQAKCN-UHFFFAOYSA-N 2 1 289.445 -0.257 20 0 CBADMP C[N@@H+](CCN1CC[NH+](C)CC1)C1CCS(=O)(=O)CC1 ZINC001256392491 826021937 /nfs/dbraw/zinc/02/19/37/826021937.db2.gz RZQBGLLUOQAKCN-UHFFFAOYSA-N 2 1 289.445 -0.257 20 0 CBADMP CC(C)(C)[NH+]1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001256565415 826025617 /nfs/dbraw/zinc/02/56/17/826025617.db2.gz ACNQLCFWJPOOQC-AVGNSLFASA-N 2 1 282.436 -0.758 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256619493 826028072 /nfs/dbraw/zinc/02/80/72/826028072.db2.gz FZKNLBFIEBQCAJ-YEJSDXFRSA-N 2 1 283.372 -0.121 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256619493 826028084 /nfs/dbraw/zinc/02/80/84/826028084.db2.gz FZKNLBFIEBQCAJ-YEJSDXFRSA-N 2 1 283.372 -0.121 20 0 CBADMP [NH3+]CCS(=O)(=O)NC1CCC([NH+]2CCOCC2)CC1 ZINC001256678964 826030511 /nfs/dbraw/zinc/03/05/11/826030511.db2.gz XGJBVHWRFOLCHG-UHFFFAOYSA-N 2 1 291.417 -0.492 20 0 CBADMP [NH3+][C@@H]1NCN([C@@H]2CCC[N@@H+](C3CCCC3)C2)[C@H]2NCN[C@@H]21 ZINC001256908499 826035234 /nfs/dbraw/zinc/03/52/34/826035234.db2.gz LUPBHRCTNGOCOD-KBUPBQIOSA-N 2 1 294.447 -0.614 20 0 CBADMP [NH3+][C@@H]1NCN([C@@H]2CCC[N@H+](C3CCCC3)C2)[C@H]2NCN[C@@H]21 ZINC001256908499 826035243 /nfs/dbraw/zinc/03/52/43/826035243.db2.gz LUPBHRCTNGOCOD-KBUPBQIOSA-N 2 1 294.447 -0.614 20 0 CBADMP CCOC(=O)CC[C@@H](C)[NH2+]CCC[NH+](CCO)CCO ZINC001258474338 826065773 /nfs/dbraw/zinc/06/57/73/826065773.db2.gz RDEXAKFGHFSUDA-CYBMUJFWSA-N 2 1 290.404 -0.016 20 0 CBADMP CN1CCN(c2ccncc2NS(N)(=O)=O)CC1 ZINC001260076137 826121447 /nfs/dbraw/zinc/12/14/47/826121447.db2.gz XFCDXYGWVDHNFO-UHFFFAOYSA-N 2 1 271.346 -0.551 20 0 CBADMP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001261436044 826511935 /nfs/dbraw/zinc/51/19/35/826511935.db2.gz NWOOGWXZXJUKFL-BZUAXINKSA-N 3 1 296.459 -0.189 20 0 CBADMP C[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001261493123 826524438 /nfs/dbraw/zinc/52/44/38/826524438.db2.gz KXHFEHWRCCSHQC-ZJUUUORDSA-N 2 1 251.334 -0.512 20 0 CBADMP C[C@@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)N1CC[NH+](C)CC1 ZINC001261495112 826525690 /nfs/dbraw/zinc/52/56/90/826525690.db2.gz SOWDWPBYYGSIMB-JSGCOSHPSA-N 2 1 268.405 -0.180 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001261634102 826549501 /nfs/dbraw/zinc/54/95/01/826549501.db2.gz YIWXMPFWFPJWAB-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])CC[N@H+]1C ZINC001261644566 826554356 /nfs/dbraw/zinc/55/43/56/826554356.db2.gz FCLVYYNREQIFBG-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[N@H+]1C ZINC001262062093 826629491 /nfs/dbraw/zinc/62/94/91/826629491.db2.gz RIMFKFVBIUBFQL-IJLUTSLNSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC[N@H+]1C ZINC001262542363 826703139 /nfs/dbraw/zinc/70/31/39/826703139.db2.gz YNRZGXHYROGICC-RNJOBUHISA-N 2 1 296.415 -0.171 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001262548572 826705539 /nfs/dbraw/zinc/70/55/39/826705539.db2.gz XCUJUAOVTIHVTH-HAQNSBGRSA-N 2 1 296.415 -0.312 20 0 CBADMP Cn1c[nH+]cc1CC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC001262564406 826710509 /nfs/dbraw/zinc/71/05/09/826710509.db2.gz HYRBWCMZALZXPH-STQMWFEESA-N 2 1 269.345 -0.545 20 0 CBADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH2+]C[C@@H]1C ZINC001263061809 826731594 /nfs/dbraw/zinc/73/15/94/826731594.db2.gz BZPJKAQGEGNZNL-QJPTWQEYSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC[N@H+]1C ZINC001263100185 826737132 /nfs/dbraw/zinc/73/71/32/826737132.db2.gz HHTLNVCHKPJTJP-HNCHTBHHSA-N 2 1 255.362 -0.302 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263161010 826746214 /nfs/dbraw/zinc/74/62/14/826746214.db2.gz UCIVQSRGQQJNFH-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)C[NH2+]1 ZINC001263167146 826747276 /nfs/dbraw/zinc/74/72/76/826747276.db2.gz BTTAXNNKYCSEAB-FVCCEPFGSA-N 2 1 266.389 -0.369 20 0 CBADMP [NH3+]C1CCN(CCNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC001263191874 826753112 /nfs/dbraw/zinc/75/31/12/826753112.db2.gz DJKCVQWKXKEXSB-JTQLQIEISA-N 2 1 258.391 -0.812 20 0 CBADMP C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1C[N@@H+](C)CCN1C ZINC001263305679 826762352 /nfs/dbraw/zinc/76/23/52/826762352.db2.gz DJAFQULWRFMZBP-BNDIWNMDSA-N 2 1 266.389 -0.798 20 0 CBADMP C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CN(C)CCN1C ZINC001263305679 826762359 /nfs/dbraw/zinc/76/23/59/826762359.db2.gz DJAFQULWRFMZBP-BNDIWNMDSA-N 2 1 266.389 -0.798 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H](CO)C1 ZINC001263306085 826762839 /nfs/dbraw/zinc/76/28/39/826762839.db2.gz PIXYNTDPMITOCO-DYEKYZERSA-N 2 1 267.373 -0.489 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H](CO)C1 ZINC001263306085 826762840 /nfs/dbraw/zinc/76/28/40/826762840.db2.gz PIXYNTDPMITOCO-DYEKYZERSA-N 2 1 267.373 -0.489 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@H](CO)C1 ZINC001263306087 826762938 /nfs/dbraw/zinc/76/29/38/826762938.db2.gz PIXYNTDPMITOCO-OBJOEFQTSA-N 2 1 267.373 -0.489 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@H](CO)C1 ZINC001263306087 826762942 /nfs/dbraw/zinc/76/29/42/826762942.db2.gz PIXYNTDPMITOCO-OBJOEFQTSA-N 2 1 267.373 -0.489 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001263851753 826785205 /nfs/dbraw/zinc/78/52/05/826785205.db2.gz UIQZMBJEXMIXFE-TXEJJXNPSA-N 2 1 257.378 -0.197 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001263879590 826787784 /nfs/dbraw/zinc/78/77/84/826787784.db2.gz NYCHEXHTNREDLD-ZDUSSCGKSA-N 2 1 257.378 -0.148 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001264387156 826804540 /nfs/dbraw/zinc/80/45/40/826804540.db2.gz FEVLEVUIXJCMDB-HZSPNIEDSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@H](O)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264973563 826821684 /nfs/dbraw/zinc/82/16/84/826821684.db2.gz BWEOYVUKCNQUTM-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264973563 826821698 /nfs/dbraw/zinc/82/16/98/826821698.db2.gz BWEOYVUKCNQUTM-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](O)C[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001264973563 826821708 /nfs/dbraw/zinc/82/17/08/826821708.db2.gz BWEOYVUKCNQUTM-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](O)C[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001264973563 826821717 /nfs/dbraw/zinc/82/17/17/826821717.db2.gz BWEOYVUKCNQUTM-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001264970405 826824084 /nfs/dbraw/zinc/82/40/84/826824084.db2.gz MBMQJGNZFMLFBE-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001264970405 826824097 /nfs/dbraw/zinc/82/40/97/826824097.db2.gz MBMQJGNZFMLFBE-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001264970405 826824113 /nfs/dbraw/zinc/82/41/13/826824113.db2.gz MBMQJGNZFMLFBE-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CCO)C1 ZINC001265235943 826859226 /nfs/dbraw/zinc/85/92/26/826859226.db2.gz ZJGVBXRJAUFPDD-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001265235943 826859234 /nfs/dbraw/zinc/85/92/34/826859234.db2.gz ZJGVBXRJAUFPDD-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001265235943 826859247 /nfs/dbraw/zinc/85/92/47/826859247.db2.gz ZJGVBXRJAUFPDD-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001265349562 826884874 /nfs/dbraw/zinc/88/48/74/826884874.db2.gz FLPYMTRAQNMQEZ-NWDGAFQWSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001265349562 826884884 /nfs/dbraw/zinc/88/48/84/826884884.db2.gz FLPYMTRAQNMQEZ-NWDGAFQWSA-N 2 1 255.362 -0.179 20 0 CBADMP COCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265458317 826894824 /nfs/dbraw/zinc/89/48/24/826894824.db2.gz RTNAUVMLLHLEFX-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001265504797 826899774 /nfs/dbraw/zinc/89/97/74/826899774.db2.gz JIZBRFQAKFDRAU-MGCOHNPYSA-N 2 1 256.350 -0.950 20 0 CBADMP COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265532757 826901516 /nfs/dbraw/zinc/90/15/16/826901516.db2.gz FGAXBMNEDMDDNG-GRYCIOLGSA-N 2 1 271.361 -0.800 20 0 CBADMP COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265532757 826901524 /nfs/dbraw/zinc/90/15/24/826901524.db2.gz FGAXBMNEDMDDNG-GRYCIOLGSA-N 2 1 271.361 -0.800 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266339656 826986908 /nfs/dbraw/zinc/98/69/08/826986908.db2.gz VDRNWOAAGZRYBJ-RYUDHWBXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001266541989 827021014 /nfs/dbraw/zinc/02/10/14/827021014.db2.gz ABAIZBRPEXSNHV-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[N@H+](CCO)C1CC1 ZINC001266619672 827033273 /nfs/dbraw/zinc/03/32/73/827033273.db2.gz XCHIZHMYDUCJGR-UHFFFAOYSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](CCO)C1CC1 ZINC001266619672 827033285 /nfs/dbraw/zinc/03/32/85/827033285.db2.gz XCHIZHMYDUCJGR-UHFFFAOYSA-N 2 1 266.345 -0.236 20 0 CBADMP CN(CC[NH2+]Cc1cnnn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001266660478 827042307 /nfs/dbraw/zinc/04/23/07/827042307.db2.gz PMVRXBGIMDZDCQ-LBPRGKRZSA-N 2 1 280.376 -0.543 20 0 CBADMP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001266733749 827061281 /nfs/dbraw/zinc/06/12/81/827061281.db2.gz ZYBDYUMFEOGIBI-MJBXVCDLSA-N 2 1 299.415 -0.020 20 0 CBADMP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001266733749 827061293 /nfs/dbraw/zinc/06/12/93/827061293.db2.gz ZYBDYUMFEOGIBI-MJBXVCDLSA-N 2 1 299.415 -0.020 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+]C[C@@H](C)O ZINC001266776541 827065432 /nfs/dbraw/zinc/06/54/32/827065432.db2.gz BPNPXHNXNRGJOL-LLVKDONJSA-N 2 1 254.334 -0.380 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001266803349 827069265 /nfs/dbraw/zinc/06/92/65/827069265.db2.gz CCXFOXXYQYISPL-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001266953573 827096788 /nfs/dbraw/zinc/09/67/88/827096788.db2.gz GQCXQZBMWPWLAU-SECBINFHSA-N 2 1 267.333 -0.968 20 0 CBADMP COC[C@@H](O)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266989296 827104178 /nfs/dbraw/zinc/10/41/78/827104178.db2.gz WITHYJUZUTYHBM-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@H](C)[NH2+]CCCO)C1 ZINC001267154414 827119469 /nfs/dbraw/zinc/11/94/69/827119469.db2.gz CTJIYGJBQDMYOU-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@H](C)[NH2+]CCCO)C1 ZINC001267154414 827119470 /nfs/dbraw/zinc/11/94/70/827119470.db2.gz CTJIYGJBQDMYOU-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267225942 827133114 /nfs/dbraw/zinc/13/31/14/827133114.db2.gz IOHNYXQMYTXBMB-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267225942 827133117 /nfs/dbraw/zinc/13/31/17/827133117.db2.gz IOHNYXQMYTXBMB-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267225942 827133121 /nfs/dbraw/zinc/13/31/21/827133121.db2.gz IOHNYXQMYTXBMB-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP CN(CC[NH2+]CCO)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001267375366 827161549 /nfs/dbraw/zinc/16/15/49/827161549.db2.gz FZBYDHDSWBBHFP-ZDUSSCGKSA-N 2 1 295.387 -0.170 20 0 CBADMP CN(CC[NH2+]CCO)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001267375366 827161554 /nfs/dbraw/zinc/16/15/54/827161554.db2.gz FZBYDHDSWBBHFP-ZDUSSCGKSA-N 2 1 295.387 -0.170 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001267387069 827163272 /nfs/dbraw/zinc/16/32/72/827163272.db2.gz FEZSDSOEYKXOMV-ZDUSSCGKSA-N 2 1 296.419 -0.051 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]C[C@H](C)O)C1 ZINC001267471975 827174831 /nfs/dbraw/zinc/17/48/31/827174831.db2.gz YPBSWITUVCNANI-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]C[C@H](C)O)C1 ZINC001267471975 827174838 /nfs/dbraw/zinc/17/48/38/827174838.db2.gz YPBSWITUVCNANI-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001267751386 827214903 /nfs/dbraw/zinc/21/49/03/827214903.db2.gz WWFYNOJVPPNNNE-CQSZACIVSA-N 2 1 299.415 -0.328 20 0 CBADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](CCO)C1 ZINC001267751386 827214912 /nfs/dbraw/zinc/21/49/12/827214912.db2.gz WWFYNOJVPPNNNE-CQSZACIVSA-N 2 1 299.415 -0.328 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001267752365 827215165 /nfs/dbraw/zinc/21/51/65/827215165.db2.gz XQAXEXNNWULVGX-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001267768026 827218238 /nfs/dbraw/zinc/21/82/38/827218238.db2.gz LPHXRGQABMSWMT-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCOCCO)C1 ZINC001267768026 827218243 /nfs/dbraw/zinc/21/82/43/827218243.db2.gz LPHXRGQABMSWMT-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCOCCO)C1 ZINC001267768026 827218248 /nfs/dbraw/zinc/21/82/48/827218248.db2.gz LPHXRGQABMSWMT-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(CC[N@@H+](C)CCCO)C(=O)[C@H]1CCC[NH+]1C ZINC001268245514 827270572 /nfs/dbraw/zinc/27/05/72/827270572.db2.gz PRXDTYHLUYHYKX-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CN(CC[NH+](C)CCCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268245514 827270581 /nfs/dbraw/zinc/27/05/81/827270581.db2.gz PRXDTYHLUYHYKX-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CN(CC[NH+](C)CCCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001268245514 827270591 /nfs/dbraw/zinc/27/05/91/827270591.db2.gz PRXDTYHLUYHYKX-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC(C)[NH2+]C[C@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268322150 827299328 /nfs/dbraw/zinc/29/93/28/827299328.db2.gz PNKZRUFXISQBOH-NEPJUHHUSA-N 2 1 257.378 -0.197 20 0 CBADMP CCCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001268333998 827308678 /nfs/dbraw/zinc/30/86/78/827308678.db2.gz IZNWYHZMCIUONJ-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CCCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001268333998 827308688 /nfs/dbraw/zinc/30/86/88/827308688.db2.gz IZNWYHZMCIUONJ-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CCOC2CCC2)C1 ZINC001268336527 827309397 /nfs/dbraw/zinc/30/93/97/827309397.db2.gz UOWSGZUGWPTKID-QWHCGFSZSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H](CC[NH2+]Cc1nncn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268347178 827312705 /nfs/dbraw/zinc/31/27/05/827312705.db2.gz BDOXCIQYAQWIDS-NWDGAFQWSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](CC[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001268347157 827313052 /nfs/dbraw/zinc/31/30/52/827313052.db2.gz BDOXCIQYAQWIDS-NEPJUHHUSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](CC[NH2+]CCn1cncn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268350304 827313531 /nfs/dbraw/zinc/31/35/31/827313531.db2.gz OOAHMOPHZRBGQZ-QWHCGFSZSA-N 2 1 294.403 -0.143 20 0 CBADMP CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268422354 827325334 /nfs/dbraw/zinc/32/53/34/827325334.db2.gz AMAOZEWVSBPTPJ-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268442313 827329627 /nfs/dbraw/zinc/32/96/27/827329627.db2.gz BGVTZDNOPHXDAK-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268442313 827329637 /nfs/dbraw/zinc/32/96/37/827329637.db2.gz BGVTZDNOPHXDAK-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CCN(CC[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268471517 827338666 /nfs/dbraw/zinc/33/86/66/827338666.db2.gz OKBILAAVAIKQFB-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CCN(CC[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001268471517 827338675 /nfs/dbraw/zinc/33/86/75/827338675.db2.gz OKBILAAVAIKQFB-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268497228 827341853 /nfs/dbraw/zinc/34/18/53/827341853.db2.gz HMVKGYDTYGTXSZ-NSHDSACASA-N 2 1 270.377 -0.878 20 0 CBADMP CCN(CC[NH2+]CCO)C(=O)Cn1cc[nH+]c1C ZINC001268498619 827343595 /nfs/dbraw/zinc/34/35/95/827343595.db2.gz QYQAYQMGGOSPDP-UHFFFAOYSA-N 2 1 254.334 -0.378 20 0 CBADMP COCCC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268519801 827352662 /nfs/dbraw/zinc/35/26/62/827352662.db2.gz GCTVTBSRSGATLM-ITDFMYJTSA-N 2 1 285.388 -0.385 20 0 CBADMP COCCC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268519801 827352672 /nfs/dbraw/zinc/35/26/72/827352672.db2.gz GCTVTBSRSGATLM-ITDFMYJTSA-N 2 1 285.388 -0.385 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC/C=C\C[NH2+]C[C@H](C)O ZINC001268568806 827367790 /nfs/dbraw/zinc/36/77/90/827367790.db2.gz ZSBHJQJKEGAQHW-MVZIDQBPSA-N 2 1 266.345 -0.166 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC/C=C\C[NH2+]CCO)CC[N@H+]1C ZINC001268580423 827371471 /nfs/dbraw/zinc/37/14/71/827371471.db2.gz AZZDQYZMGVWQGZ-LDIIPZEWSA-N 2 1 269.389 -0.029 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001268597389 827375911 /nfs/dbraw/zinc/37/59/11/827375911.db2.gz RYTAPXNGGFPLLW-IHVVCDCBSA-N 2 1 296.415 -0.003 20 0 CBADMP Cn1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001268625177 827382315 /nfs/dbraw/zinc/38/23/15/827382315.db2.gz FIXFHNRIYOQDEX-VSQXVHSFSA-N 2 1 292.387 -0.471 20 0 CBADMP Cn1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001268625177 827382325 /nfs/dbraw/zinc/38/23/25/827382325.db2.gz FIXFHNRIYOQDEX-VSQXVHSFSA-N 2 1 292.387 -0.471 20 0 CBADMP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001268625279 827382714 /nfs/dbraw/zinc/38/27/14/827382714.db2.gz MEBOSDAOHXALJR-JQSFKPKSSA-N 2 1 296.415 -0.323 20 0 CBADMP Cn1cc(C[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001268625175 827383609 /nfs/dbraw/zinc/38/36/09/827383609.db2.gz FIXFHNRIYOQDEX-MVZIDQBPSA-N 2 1 292.387 -0.471 20 0 CBADMP Cn1cc(C[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001268625175 827383619 /nfs/dbraw/zinc/38/36/19/827383619.db2.gz FIXFHNRIYOQDEX-MVZIDQBPSA-N 2 1 292.387 -0.471 20 0 CBADMP CN(CCC[NH2+]CC(N)=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001268799301 827423370 /nfs/dbraw/zinc/42/33/70/827423370.db2.gz XJUUGUBQHTXUKV-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CN(CCC[NH2+]CC(N)=O)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001268800582 827423642 /nfs/dbraw/zinc/42/36/42/827423642.db2.gz PGEYDMWODLVRBH-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268946368 827443389 /nfs/dbraw/zinc/44/33/89/827443389.db2.gz NNPIKUUWTQMWFE-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C[NH+](CCO)CCO)C[C@H]2CC1 ZINC001269094485 827463289 /nfs/dbraw/zinc/46/32/89/827463289.db2.gz HOTDFAYNYRJSNM-OKILXGFUSA-N 2 1 299.415 -0.927 20 0 CBADMP C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](CCO)CCO)C[C@H]2CC1 ZINC001269094485 827463295 /nfs/dbraw/zinc/46/32/95/827463295.db2.gz HOTDFAYNYRJSNM-OKILXGFUSA-N 2 1 299.415 -0.927 20 0 CBADMP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269094756 827463397 /nfs/dbraw/zinc/46/33/97/827463397.db2.gz KCSHOVHSERGRIO-HNNXBMFYSA-N 2 1 299.415 -0.783 20 0 CBADMP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269094756 827463401 /nfs/dbraw/zinc/46/34/01/827463401.db2.gz KCSHOVHSERGRIO-HNNXBMFYSA-N 2 1 299.415 -0.783 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@H+]2CCCO)CC1 ZINC001269278556 827487422 /nfs/dbraw/zinc/48/74/22/827487422.db2.gz KUTANOGIKYPKFQ-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CCO)CC2)C1 ZINC001269489411 827514158 /nfs/dbraw/zinc/51/41/58/827514158.db2.gz PFYBOMKHHBDCNX-NSHDSACASA-N 2 1 255.362 -0.441 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]C[C@@H](C)O)CC1 ZINC001269518625 827516354 /nfs/dbraw/zinc/51/63/54/827516354.db2.gz HVIHSGHVRGPWCY-LLVKDONJSA-N 2 1 257.378 -0.053 20 0 CBADMP C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H](Cc1c[nH]cn1)NC=O)C2 ZINC001270406159 827563817 /nfs/dbraw/zinc/56/38/17/827563817.db2.gz OODREODCKJXNSA-WXHSDQCUSA-N 2 1 291.355 -0.771 20 0 CBADMP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@@H+](CCO)C1 ZINC001270660155 827587567 /nfs/dbraw/zinc/58/75/67/827587567.db2.gz YRERWQHCUPZRKW-CYBMUJFWSA-N 2 1 255.362 -0.345 20 0 CBADMP C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001270978070 827611756 /nfs/dbraw/zinc/61/17/56/827611756.db2.gz UIXXNDUFHKRYFW-NSHDSACASA-N 2 1 253.346 -0.519 20 0 CBADMP C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001270978070 827611758 /nfs/dbraw/zinc/61/17/58/827611758.db2.gz UIXXNDUFHKRYFW-NSHDSACASA-N 2 1 253.346 -0.519 20 0 CBADMP C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001270978070 827611761 /nfs/dbraw/zinc/61/17/61/827611761.db2.gz UIXXNDUFHKRYFW-NSHDSACASA-N 2 1 253.346 -0.519 20 0 CBADMP C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001270978070 827611764 /nfs/dbraw/zinc/61/17/64/827611764.db2.gz UIXXNDUFHKRYFW-NSHDSACASA-N 2 1 253.346 -0.519 20 0 CBADMP COCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001271031795 827616209 /nfs/dbraw/zinc/61/62/09/827616209.db2.gz WCVQTLUHBQEDBA-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001271183184 827675160 /nfs/dbraw/zinc/67/51/60/827675160.db2.gz XLACQCDHQHTLNH-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001271222733 827678747 /nfs/dbraw/zinc/67/87/47/827678747.db2.gz FDECBKALLADVSO-ZDUSSCGKSA-N 2 1 280.416 -0.356 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC(N)=O ZINC001271493721 827705881 /nfs/dbraw/zinc/70/58/81/827705881.db2.gz CXLBCRJCNKREBG-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP CCOCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001272380471 827788401 /nfs/dbraw/zinc/78/84/01/827788401.db2.gz NCGXCSGVGQIPGS-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP CCOCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001272380473 827788910 /nfs/dbraw/zinc/78/89/10/827788910.db2.gz NCGXCSGVGQIPGS-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP C[NH+](C)CCN1CC2(C[NH+](C[C@@H]3CCOC3)C2)OCC1=O ZINC001272508099 827810264 /nfs/dbraw/zinc/81/02/64/827810264.db2.gz MAKHCYDXZSRFMC-ZDUSSCGKSA-N 2 1 297.399 -0.502 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[NH+]2C ZINC001272555004 827820200 /nfs/dbraw/zinc/82/02/00/827820200.db2.gz JRIDQSHEKDUYGC-AVGNSLFASA-N 2 1 266.389 -0.463 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C ZINC001272555004 827820205 /nfs/dbraw/zinc/82/02/05/827820205.db2.gz JRIDQSHEKDUYGC-AVGNSLFASA-N 2 1 266.389 -0.463 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C ZINC001272555004 827820216 /nfs/dbraw/zinc/82/02/16/827820216.db2.gz JRIDQSHEKDUYGC-AVGNSLFASA-N 2 1 266.389 -0.463 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](C)C2 ZINC001272555079 827820574 /nfs/dbraw/zinc/82/05/74/827820574.db2.gz KKILAQLMGCQHIO-GFCCVEGCSA-N 2 1 266.389 -0.604 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@H+](C)C2 ZINC001272555079 827820582 /nfs/dbraw/zinc/82/05/82/827820582.db2.gz KKILAQLMGCQHIO-GFCCVEGCSA-N 2 1 266.389 -0.604 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](C)C2 ZINC001272555079 827820587 /nfs/dbraw/zinc/82/05/87/827820587.db2.gz KKILAQLMGCQHIO-GFCCVEGCSA-N 2 1 266.389 -0.604 20 0 CBADMP C[C@@H](CC[NH2+]CCCO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001272704941 827835731 /nfs/dbraw/zinc/83/57/31/827835731.db2.gz XFCWYULNKZIIPM-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@@H](CC[NH2+]CCCO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001272704941 827835743 /nfs/dbraw/zinc/83/57/43/827835743.db2.gz XFCWYULNKZIIPM-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP O=C1COC2(C[NH+](CC3CC[NH2+]CC3)C2)CN1C1COC1 ZINC001273029313 827857398 /nfs/dbraw/zinc/85/73/98/827857398.db2.gz APYYAMWQUMRBKI-UHFFFAOYSA-N 2 1 295.383 -0.702 20 0 CBADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001273070175 827861275 /nfs/dbraw/zinc/86/12/75/827861275.db2.gz ULVYPRHGCCLMEY-WVMKXHBISA-N 2 1 267.373 -0.206 20 0 CBADMP C[C@@H](O)C[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001273075910 827861514 /nfs/dbraw/zinc/86/15/14/827861514.db2.gz MVRBBOFDMWSQBW-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)C[NH+]1CCC1 ZINC001273366586 827894895 /nfs/dbraw/zinc/89/48/95/827894895.db2.gz GXNXTJFRXXBKCW-OKILXGFUSA-N 2 1 296.415 -0.835 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273699368 827919170 /nfs/dbraw/zinc/91/91/70/827919170.db2.gz LJCKFJOCISWRPF-OAHLLOKOSA-N 2 1 296.415 -0.392 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274047323 827955357 /nfs/dbraw/zinc/95/53/57/827955357.db2.gz OBXIGXXZAVSUOD-TZMCWYRMSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274045832 827956100 /nfs/dbraw/zinc/95/61/00/827956100.db2.gz ABUICSFZDHGUBH-IUODEOHRSA-N 2 1 297.399 -0.230 20 0 CBADMP C[NH+](C)CCNC(=O)[C@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001274062720 827963430 /nfs/dbraw/zinc/96/34/30/827963430.db2.gz VZIXURJQHHQYEG-LLVKDONJSA-N 2 1 282.388 -0.748 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274073447 827966391 /nfs/dbraw/zinc/96/63/91/827966391.db2.gz MOFKCRIISHVTPF-AWEZNQCLSA-N 2 1 282.388 -0.639 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274073447 827966397 /nfs/dbraw/zinc/96/63/97/827966397.db2.gz MOFKCRIISHVTPF-AWEZNQCLSA-N 2 1 282.388 -0.639 20 0 CBADMP CNC(=O)C[N@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001274074615 827967170 /nfs/dbraw/zinc/96/71/70/827967170.db2.gz YMBWUUHKALFDSV-OAHLLOKOSA-N 2 1 296.415 -0.249 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCNC1=O ZINC001274133951 827969153 /nfs/dbraw/zinc/96/91/53/827969153.db2.gz OTUNCRZDQAQMMD-CDJBXZAQSA-N 2 1 294.399 -0.379 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCNC1=O ZINC001274133952 827969691 /nfs/dbraw/zinc/96/96/91/827969691.db2.gz OTUNCRZDQAQMMD-FGTRRKKMSA-N 2 1 294.399 -0.379 20 0 CBADMP CCOCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001275105470 828058315 /nfs/dbraw/zinc/05/83/15/828058315.db2.gz UJBFVXITHGHSKM-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP CCOCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001275105470 828058326 /nfs/dbraw/zinc/05/83/26/828058326.db2.gz UJBFVXITHGHSKM-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](C[C@H]3CCC(=O)N3)C[C@H]21 ZINC001275188979 828064772 /nfs/dbraw/zinc/06/47/72/828064772.db2.gz RMEXECYRPCYHDS-MCIONIFRSA-N 2 1 296.415 -0.788 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCOCCO)C1 ZINC001275210054 828067823 /nfs/dbraw/zinc/06/78/23/828067823.db2.gz OSUIUNQBUJMRBU-JXQTWKCFSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC(C[NH2+]CCCO)C2)C1 ZINC001275324402 828079027 /nfs/dbraw/zinc/07/90/27/828079027.db2.gz WBYXHKAOAFEYLT-JXQTWKCFSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC(C[NH2+]CCCO)C2)C1 ZINC001275324402 828079032 /nfs/dbraw/zinc/07/90/32/828079032.db2.gz WBYXHKAOAFEYLT-JXQTWKCFSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001275697839 828108972 /nfs/dbraw/zinc/10/89/72/828108972.db2.gz NAURXHHHAMMHAQ-VHSXEESVSA-N 2 1 258.366 -0.752 20 0 CBADMP CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001275697839 828108974 /nfs/dbraw/zinc/10/89/74/828108974.db2.gz NAURXHHHAMMHAQ-VHSXEESVSA-N 2 1 258.366 -0.752 20 0 CBADMP C[C@H](CNC(=O)Cc1ncc[nH]1)[N@@H+](C)CCCO ZINC001275963952 828126503 /nfs/dbraw/zinc/12/65/03/828126503.db2.gz WMGBNWWAPXKXLD-SNVBAGLBSA-N 2 1 254.334 -0.229 20 0 CBADMP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001276076413 828132897 /nfs/dbraw/zinc/13/28/97/828132897.db2.gz OWPFJQVPMZYZTC-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP COC(=O)[C@@H](C)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276524214 828148141 /nfs/dbraw/zinc/14/81/41/828148141.db2.gz YXINRDKMNKHGHO-MJBXVCDLSA-N 2 1 299.415 -0.258 20 0 CBADMP COC(=O)[C@H](C)C[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001276521570 828148558 /nfs/dbraw/zinc/14/85/58/828148558.db2.gz DCCQZAYGTFAXLR-MCIONIFRSA-N 2 1 299.415 -0.258 20 0 CBADMP COCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001276821120 828162027 /nfs/dbraw/zinc/16/20/27/828162027.db2.gz FTDDDOXIPMATRK-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001276821120 828162030 /nfs/dbraw/zinc/16/20/30/828162030.db2.gz FTDDDOXIPMATRK-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001276821120 828162033 /nfs/dbraw/zinc/16/20/33/828162033.db2.gz FTDDDOXIPMATRK-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001276821120 828162035 /nfs/dbraw/zinc/16/20/35/828162035.db2.gz FTDDDOXIPMATRK-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001277028621 828173182 /nfs/dbraw/zinc/17/31/82/828173182.db2.gz WNMMCIIFFLLBSP-LLVKDONJSA-N 2 1 271.361 -0.798 20 0 CBADMP COCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001277028621 828173188 /nfs/dbraw/zinc/17/31/88/828173188.db2.gz WNMMCIIFFLLBSP-LLVKDONJSA-N 2 1 271.361 -0.798 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCO)C2)C1 ZINC001277087860 828175195 /nfs/dbraw/zinc/17/51/95/828175195.db2.gz RKOVCFVEBPHFRQ-AVGNSLFASA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCO)C2)C1 ZINC001277087860 828175201 /nfs/dbraw/zinc/17/52/01/828175201.db2.gz RKOVCFVEBPHFRQ-AVGNSLFASA-N 2 1 285.388 -0.816 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2C[C@@H]1COCCO1 ZINC001277526329 828192890 /nfs/dbraw/zinc/19/28/90/828192890.db2.gz BHYRVBZJAKILMU-HZSPNIEDSA-N 2 1 269.389 -0.278 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2C[C@@H]1COCCO1 ZINC001277526329 828192893 /nfs/dbraw/zinc/19/28/93/828192893.db2.gz BHYRVBZJAKILMU-HZSPNIEDSA-N 2 1 269.389 -0.278 20 0 CBADMP NC(=O)c1[nH]nc2c1C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001277822223 828212159 /nfs/dbraw/zinc/21/21/59/828212159.db2.gz SFNZZARDYVFLEL-UHFFFAOYSA-N 2 1 263.345 -0.134 20 0 CBADMP NC(=O)C[C@@H]1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]2O1 ZINC001277821080 828212509 /nfs/dbraw/zinc/21/25/09/828212509.db2.gz COMGPMAKIPUDRA-AGIUHOORSA-N 2 1 267.373 -0.049 20 0 CBADMP C[C@@H]1Cc2nnc(C(N)=O)n2CC[N@H+]1CC1CC[NH2+]CC1 ZINC001277822200 828212561 /nfs/dbraw/zinc/21/25/61/828212561.db2.gz RTCQZZBJELCRRB-SNVBAGLBSA-N 2 1 292.387 -0.377 20 0 CBADMP COC(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001277864883 828215530 /nfs/dbraw/zinc/21/55/30/828215530.db2.gz NRRFEAJBQRWZKT-RYUDHWBXSA-N 2 1 295.383 -0.308 20 0 CBADMP CC(=O)NCC[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277909484 828217498 /nfs/dbraw/zinc/21/74/98/828217498.db2.gz DDTKJQBQOAOIFL-KBPBESRZSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(=O)NCC[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001277910703 828217528 /nfs/dbraw/zinc/21/75/28/828217528.db2.gz URJSIMSWHZHQFX-UHFFFAOYSA-N 2 1 254.378 -0.698 20 0 CBADMP CC(=O)NCC[NH+]1CCC2(C[NH+](CC(=O)N(C)C)C2)CC1 ZINC001277905933 828218079 /nfs/dbraw/zinc/21/80/79/828218079.db2.gz OENZTBDBVGIFGR-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277960924 828224367 /nfs/dbraw/zinc/22/43/67/828224367.db2.gz NYYUYJXCQSVKAY-UPJWGTAASA-N 2 1 257.378 -0.686 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277960924 828224371 /nfs/dbraw/zinc/22/43/71/828224371.db2.gz NYYUYJXCQSVKAY-UPJWGTAASA-N 2 1 257.378 -0.686 20 0 CBADMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](CC(N)=O)C2 ZINC001277981058 828225951 /nfs/dbraw/zinc/22/59/51/828225951.db2.gz GAOOTUIMKUHIFK-CQSZACIVSA-N 2 1 268.405 -0.179 20 0 CBADMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC001277981058 828225957 /nfs/dbraw/zinc/22/59/57/828225957.db2.gz GAOOTUIMKUHIFK-CQSZACIVSA-N 2 1 268.405 -0.179 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001278029710 828232916 /nfs/dbraw/zinc/23/29/16/828232916.db2.gz UGRBFBFUEBIZQH-SDDRHHMPSA-N 2 1 294.399 -0.608 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001278029710 828232920 /nfs/dbraw/zinc/23/29/20/828232920.db2.gz UGRBFBFUEBIZQH-SDDRHHMPSA-N 2 1 294.399 -0.608 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001278031896 828233198 /nfs/dbraw/zinc/23/31/98/828233198.db2.gz AFXFMYNHLRGWAS-UPJWGTAASA-N 2 1 284.404 -0.803 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001278031896 828233204 /nfs/dbraw/zinc/23/32/04/828233204.db2.gz AFXFMYNHLRGWAS-UPJWGTAASA-N 2 1 284.404 -0.803 20 0 CBADMP C[N@@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001278097473 828246536 /nfs/dbraw/zinc/24/65/36/828246536.db2.gz KXAWLPJQXSOECW-WDEREUQCSA-N 2 1 266.345 -0.487 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CCO)C2CCCC2)C1 ZINC001278227136 828260931 /nfs/dbraw/zinc/26/09/31/828260931.db2.gz XMWKQRZYQMDNOR-ZIAGYGMSSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CCO)C2CCCC2)C1 ZINC001278227136 828260933 /nfs/dbraw/zinc/26/09/33/828260933.db2.gz XMWKQRZYQMDNOR-ZIAGYGMSSA-N 2 1 299.415 -0.426 20 0 CBADMP C[NH+](C)CCN1CCC12CN(C(=O)N1CC[NH+](C)CC1)C2 ZINC001278270717 828262415 /nfs/dbraw/zinc/26/24/15/828262415.db2.gz KUAWNUIMAGNYJK-UHFFFAOYSA-N 2 1 295.431 -0.325 20 0 CBADMP COCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001278302562 828264071 /nfs/dbraw/zinc/26/40/71/828264071.db2.gz ZXRIGJNMJWPRLO-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001278823344 828293467 /nfs/dbraw/zinc/29/34/67/828293467.db2.gz YMJOEWIJJLWECC-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001278823344 828293473 /nfs/dbraw/zinc/29/34/73/828293473.db2.gz YMJOEWIJJLWECC-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001278823344 828293479 /nfs/dbraw/zinc/29/34/79/828293479.db2.gz YMJOEWIJJLWECC-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP CCC[NH+]1CC(O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278906925 828307729 /nfs/dbraw/zinc/30/77/29/828307729.db2.gz IIZMZDGIVYCMKC-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH2+][C@H](C(=O)NCC1CC[NH2+]CC1)c1cnn(C)c1 ZINC001349370572 890801643 /nfs/dbraw/zinc/80/16/43/890801643.db2.gz DWMGEYFFVHNIGW-LBPRGKRZSA-N 2 1 265.361 -0.204 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCCCC[NH3+])CC1 ZINC001349486471 890824005 /nfs/dbraw/zinc/82/40/05/890824005.db2.gz FZYUKEFPIMXSTD-UHFFFAOYSA-N 2 1 256.394 -0.131 20 0 CBADMP C[C@H](C(=O)NCCC1(C[NH3+])CC1)N1CC[NH+](C)CC1 ZINC001328846592 885828860 /nfs/dbraw/zinc/82/88/60/885828860.db2.gz QPBHJYYSMVFSHF-GFCCVEGCSA-N 2 1 268.405 -0.133 20 0 CBADMP [NH3+]C1CC[NH+](CCc2cn(CCCO)nn2)CC1 ZINC001329686898 886176592 /nfs/dbraw/zinc/17/65/92/886176592.db2.gz ZLSSQYXDZALXAZ-UHFFFAOYSA-N 2 1 253.350 -0.374 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC[C@H](C)[NH3+])C1CC1 ZINC001331319014 886774529 /nfs/dbraw/zinc/77/45/29/886774529.db2.gz JYTAVQQGRYPPSW-JTQLQIEISA-N 2 1 270.377 -0.560 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCCF ZINC001331683871 886903950 /nfs/dbraw/zinc/90/39/50/886903950.db2.gz MEMXTFWEKDYDPU-QWRGUYRKSA-N 2 1 261.341 -0.493 20 0 CBADMP CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CNCCO3)C[C@@H]2C1 ZINC001331933059 887050826 /nfs/dbraw/zinc/05/08/26/887050826.db2.gz LPNAIXWSBMJANJ-FRRDWIJNSA-N 2 1 253.346 -0.615 20 0 CBADMP [NH3+]Cc1ocnc1C(=O)NCCCN1CC[NH2+]CC1 ZINC001331956585 887060779 /nfs/dbraw/zinc/06/07/79/887060779.db2.gz ASXOVAXUUJMKJQ-UHFFFAOYSA-N 2 1 267.333 -0.842 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])CC[N@H+]1C ZINC001332235881 887165482 /nfs/dbraw/zinc/16/54/82/887165482.db2.gz RGZHMXNOXAUCAG-MNOVXSKESA-N 2 1 284.404 -0.171 20 0 CBADMP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@H]1CC[NH2+]C1 ZINC001337094530 888963156 /nfs/dbraw/zinc/96/31/56/888963156.db2.gz KNXOKXJFNWDRAJ-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@H]1CC[NH2+]C1 ZINC001337094530 888963171 /nfs/dbraw/zinc/96/31/71/888963171.db2.gz KNXOKXJFNWDRAJ-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@@H]1CC[NH2+]C1 ZINC001337094533 888963769 /nfs/dbraw/zinc/96/37/69/888963769.db2.gz KNXOKXJFNWDRAJ-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@@H]1CC[NH2+]C1 ZINC001337094533 888963783 /nfs/dbraw/zinc/96/37/83/888963783.db2.gz KNXOKXJFNWDRAJ-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1CN(c2ccnc(N)n2)C[C@H](C)[N@@H+]1CCO ZINC001337186133 888971817 /nfs/dbraw/zinc/97/18/17/888971817.db2.gz PGVWMUSGBFZFTM-AOOOYVTPSA-N 2 1 251.334 -0.050 20 0 CBADMP C[C@@H]1CN(c2ccnc(N)n2)C[C@H](C)N1CCO ZINC001337186133 888971829 /nfs/dbraw/zinc/97/18/29/888971829.db2.gz PGVWMUSGBFZFTM-AOOOYVTPSA-N 2 1 251.334 -0.050 20 0 CBADMP C[C@H]1CN(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)CCO1 ZINC001338468882 889164436 /nfs/dbraw/zinc/16/44/36/889164436.db2.gz ZFFFRXITIAFFMT-KBPBESRZSA-N 2 1 271.405 -0.247 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001340091656 889383572 /nfs/dbraw/zinc/38/35/72/889383572.db2.gz WUTAXXPTXRBFBP-YFKTTZPYSA-N 2 1 257.378 -0.198 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001340527628 889442573 /nfs/dbraw/zinc/44/25/73/889442573.db2.gz QVCNLSHYLFNRFA-FIQHERPVSA-N 2 1 254.378 -0.383 20 0 CBADMP [NH3+][C@H]1C[C@@H](C(=O)NCCCCC[NH+]2CCNCC2)C1 ZINC001341190308 889556214 /nfs/dbraw/zinc/55/62/14/889556214.db2.gz GXOAHPMFHNSGCO-BETUJISGSA-N 2 1 268.405 -0.085 20 0 CBADMP CN1CCN(C(=O)C(C)(C)C[NH3+])CC[N@@H+](C)CC1 ZINC001341511098 889612525 /nfs/dbraw/zinc/61/25/25/889612525.db2.gz AYZULVGDYDSIPG-UHFFFAOYSA-N 2 1 256.394 -0.323 20 0 CBADMP C[C@@H](CNC(=O)CNCC[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC001341662743 889641540 /nfs/dbraw/zinc/64/15/40/889641540.db2.gz MZKUSYBPJNBWPW-NEPJUHHUSA-N 2 1 256.394 -0.229 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C[C@H](O)C[NH3+] ZINC001341659733 889642941 /nfs/dbraw/zinc/64/29/41/889642941.db2.gz RQFWICPVUIKKLE-KOLCDFICSA-N 2 1 254.334 -0.346 20 0 CBADMP C[C@]1(C(=O)N2CC[NH+](CC3CC3)CC2)C[C@@H](O)C[NH2+]1 ZINC001341659747 889643290 /nfs/dbraw/zinc/64/32/90/889643290.db2.gz SCNQHEUQVHSCFR-TZMCWYRMSA-N 2 1 267.373 -0.347 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001443587255 912237850 /nfs/dbraw/zinc/23/78/50/912237850.db2.gz DHFGNJZTVAOPHF-GFCCVEGCSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001443607480 912240016 /nfs/dbraw/zinc/24/00/16/912240016.db2.gz DZFMAEAFRBGYEI-NSHDSACASA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH2+][C@@H](C)C1 ZINC001341764577 889661021 /nfs/dbraw/zinc/66/10/21/889661021.db2.gz INEOSWXDIPMXHN-TUAOUCFPSA-N 2 1 252.362 -0.805 20 0 CBADMP CCN(C)C(=O)C[NH+]1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001443640897 912251112 /nfs/dbraw/zinc/25/11/12/912251112.db2.gz GHACYTDBKYKKOO-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP CCN(C)C(=O)C[NH+]1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001443640897 912251130 /nfs/dbraw/zinc/25/11/30/912251130.db2.gz GHACYTDBKYKKOO-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001341848613 889674594 /nfs/dbraw/zinc/67/45/94/889674594.db2.gz RHKTTWAGLLWLSQ-VXGBXAGGSA-N 2 1 255.362 -0.036 20 0 CBADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001443695745 912256862 /nfs/dbraw/zinc/25/68/62/912256862.db2.gz XWOQFFOOKJZKRR-IHRRRGAJSA-N 2 1 299.415 -0.381 20 0 CBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001443695745 912256876 /nfs/dbraw/zinc/25/68/76/912256876.db2.gz XWOQFFOOKJZKRR-IHRRRGAJSA-N 2 1 299.415 -0.381 20 0 CBADMP COC[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C(C)C ZINC001443695745 912256886 /nfs/dbraw/zinc/25/68/86/912256886.db2.gz XWOQFFOOKJZKRR-IHRRRGAJSA-N 2 1 299.415 -0.381 20 0 CBADMP COC[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C(C)C ZINC001443695745 912256902 /nfs/dbraw/zinc/25/69/02/912256902.db2.gz XWOQFFOOKJZKRR-IHRRRGAJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001341922251 889683662 /nfs/dbraw/zinc/68/36/62/889683662.db2.gz AHVBAAYMGCNAFB-SRVKXCTJSA-N 2 1 255.362 -0.219 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001443907747 912301517 /nfs/dbraw/zinc/30/15/17/912301517.db2.gz ZNJIJZUOBFGTQR-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001342350078 889758218 /nfs/dbraw/zinc/75/82/18/889758218.db2.gz RDRLGEMOVAZGLT-CZXHOFHRSA-N 2 1 267.373 -0.206 20 0 CBADMP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H](C)C(N)=O ZINC001443941016 912310542 /nfs/dbraw/zinc/31/05/42/912310542.db2.gz YQANOEJKGLMXEJ-MNOVXSKESA-N 2 1 284.404 -0.171 20 0 CBADMP CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]CC(=O)NC ZINC001444026659 912328803 /nfs/dbraw/zinc/32/88/03/912328803.db2.gz DAHXHOVZLMRVLJ-LLVKDONJSA-N 2 1 272.393 -0.443 20 0 CBADMP [NH3+]CCCC(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001342557356 889792982 /nfs/dbraw/zinc/79/29/82/889792982.db2.gz WYESCWBRBRXBRZ-CYBMUJFWSA-N 2 1 263.345 -0.278 20 0 CBADMP C[C@@H]([NH3+])C1(C(=O)N2CC[NH+](C)CC2)CCOCC1 ZINC001343458436 889912703 /nfs/dbraw/zinc/91/27/03/889912703.db2.gz LAIPFGBTFSYEHV-LLVKDONJSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@H]1C[N@@H+](C)CCN1C ZINC001343492906 889921915 /nfs/dbraw/zinc/92/19/15/889921915.db2.gz WKERLNODCCCXKZ-QNWHQSFQSA-N 2 1 268.405 -0.136 20 0 CBADMP C[N@@H+]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@@H](CO)C1 ZINC001343490051 889923480 /nfs/dbraw/zinc/92/34/80/889923480.db2.gz LYOYSIPDFYWZBN-QITAHTHBSA-N 2 1 267.373 -0.323 20 0 CBADMP C[N@H+]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@@H](CO)C1 ZINC001343490051 889923485 /nfs/dbraw/zinc/92/34/85/889923485.db2.gz LYOYSIPDFYWZBN-QITAHTHBSA-N 2 1 267.373 -0.323 20 0 CBADMP C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001343582910 889934273 /nfs/dbraw/zinc/93/42/73/889934273.db2.gz MLNWKQHHRIODJG-SGMGOOAPSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cnn(C)n1 ZINC001444300656 912416954 /nfs/dbraw/zinc/41/69/54/912416954.db2.gz HFGACQLFGCJLOB-YPMHNXCESA-N 2 1 294.403 -0.249 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001444313122 912423924 /nfs/dbraw/zinc/42/39/24/912423924.db2.gz YDTIPZWMZKSQNH-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cnn(C)n1 ZINC001444411444 912442516 /nfs/dbraw/zinc/44/25/16/912442516.db2.gz VIYNJMQGNFWTGR-NWDGAFQWSA-N 2 1 294.403 -0.391 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cnn(C)n1 ZINC001444411441 912444196 /nfs/dbraw/zinc/44/41/96/912444196.db2.gz VIYNJMQGNFWTGR-NEPJUHHUSA-N 2 1 294.403 -0.391 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cnn(C)n1 ZINC001444411451 912447161 /nfs/dbraw/zinc/44/71/61/912447161.db2.gz VIYNJMQGNFWTGR-VXGBXAGGSA-N 2 1 294.403 -0.391 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001344057328 889995658 /nfs/dbraw/zinc/99/56/58/889995658.db2.gz FVKADAMPULABSB-ZBOXLXRLSA-N 2 1 255.362 -0.313 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC001444501455 912457956 /nfs/dbraw/zinc/45/79/56/912457956.db2.gz OBIJNAPKSNCJNX-OLZOCXBDSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001444501455 912457966 /nfs/dbraw/zinc/45/79/66/912457966.db2.gz OBIJNAPKSNCJNX-OLZOCXBDSA-N 2 1 299.415 -0.284 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)CC2CC[NH2+]CC2)CC1 ZINC001344721029 890053789 /nfs/dbraw/zinc/05/37/89/890053789.db2.gz TUIAMLGJSLEKOG-UHFFFAOYSA-N 3 1 268.405 -0.085 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001346028308 890197525 /nfs/dbraw/zinc/19/75/25/890197525.db2.gz LGNCYSJZOIVBSG-GFCCVEGCSA-N 3 1 268.365 -0.651 20 0 CBADMP C[C@H](NC(=O)CC1([NH3+])CC1)[C@@H]1CN(C)CCN1C ZINC001346228797 890240947 /nfs/dbraw/zinc/24/09/47/890240947.db2.gz MFYPAIMCXMAMTJ-QWRGUYRKSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@H](NC(=O)CC1([NH3+])CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346228797 890240960 /nfs/dbraw/zinc/24/09/60/890240960.db2.gz MFYPAIMCXMAMTJ-QWRGUYRKSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@H](NC(=O)CC1([NH3+])CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001346228797 890240972 /nfs/dbraw/zinc/24/09/72/890240972.db2.gz MFYPAIMCXMAMTJ-QWRGUYRKSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CN(C)CCN1C ZINC001346228793 890241329 /nfs/dbraw/zinc/24/13/29/890241329.db2.gz MEZGFYYOSILBMF-WYUUTHIRSA-N 2 1 254.378 -0.526 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC001346317642 890267065 /nfs/dbraw/zinc/26/70/65/890267065.db2.gz AKMHQVGGMFHRKV-CHWSQXEVSA-N 2 1 268.405 -0.262 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001445313880 912630041 /nfs/dbraw/zinc/63/00/41/912630041.db2.gz OKMNCBZZZHELDH-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001445479752 912672736 /nfs/dbraw/zinc/67/27/36/912672736.db2.gz GHWWHGCJESRXPS-MNOVXSKESA-N 2 1 270.377 -0.689 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001445582081 912705087 /nfs/dbraw/zinc/70/50/87/912705087.db2.gz KPDKAKKSAMASDW-GXSJLCMTSA-N 2 1 279.344 -0.826 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001445661025 912729698 /nfs/dbraw/zinc/72/96/98/912729698.db2.gz YUJZOLREJRQPKJ-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)CC(=O)N1CCC1 ZINC001445835922 912762874 /nfs/dbraw/zinc/76/28/74/912762874.db2.gz MAJQTKZDRUCSQJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)CC(=O)N1CCC1 ZINC001445835922 912762857 /nfs/dbraw/zinc/76/28/57/912762857.db2.gz MAJQTKZDRUCSQJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N1CCC1 ZINC001445835922 912762904 /nfs/dbraw/zinc/76/29/04/912762904.db2.gz MAJQTKZDRUCSQJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)CC(=O)N1CCC1 ZINC001445835922 912762888 /nfs/dbraw/zinc/76/28/88/912762888.db2.gz MAJQTKZDRUCSQJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@H]2CCCNC2=O)CC1 ZINC001446223694 912837163 /nfs/dbraw/zinc/83/71/63/912837163.db2.gz NBVWLIANYBWBOX-NWDGAFQWSA-N 2 1 294.399 -0.402 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2CC([NH+]3CCCC3)C2)C1 ZINC000912324767 884598261 /nfs/dbraw/zinc/59/82/61/884598261.db2.gz HOXBXCIZCLEORF-UHFFFAOYSA-N 2 1 280.416 -0.214 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001446265335 912847841 /nfs/dbraw/zinc/84/78/41/912847841.db2.gz HSWRLBDARPOQTJ-NSHDSACASA-N 2 1 282.388 -0.687 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152426159 884676583 /nfs/dbraw/zinc/67/65/83/884676583.db2.gz DXWKXDDIHCCRHY-LLVKDONJSA-N 2 1 261.366 -0.960 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188158288 884721476 /nfs/dbraw/zinc/72/14/76/884721476.db2.gz KFJIYWAIMIZHCL-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001210811963 884765801 /nfs/dbraw/zinc/76/58/01/884765801.db2.gz SEUGBQKYSMJNPY-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001210811968 884765882 /nfs/dbraw/zinc/76/58/82/884765882.db2.gz SEUGBQKYSMJNPY-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378006 884778060 /nfs/dbraw/zinc/77/80/60/884778060.db2.gz ASWWIGWUZODIMF-QJPTWQEYSA-N 2 1 273.377 -0.866 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378536 884778506 /nfs/dbraw/zinc/77/85/06/884778506.db2.gz VLINCDDGZXPNPO-JHJVBQTASA-N 2 1 287.404 -0.212 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001326297568 884976054 /nfs/dbraw/zinc/97/60/54/884976054.db2.gz CJOXACQBDZZSRU-CYBMUJFWSA-N 2 1 270.421 -0.014 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC001326309524 884979221 /nfs/dbraw/zinc/97/92/21/884979221.db2.gz NDLVLWSJRNMMEX-STQMWFEESA-N 2 1 268.405 -0.310 20 0 CBADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC001326310945 884986764 /nfs/dbraw/zinc/98/67/64/884986764.db2.gz MGNFOIBXKIBXLF-NSHDSACASA-N 3 1 254.378 -0.604 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCO)C1 ZINC001326329521 884988367 /nfs/dbraw/zinc/98/83/67/884988367.db2.gz CEPUIAAXLWJPMA-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP Cn1cc[nH+]c1N1CCC(NC(=O)COCC[NH3+])CC1 ZINC001326352710 885000160 /nfs/dbraw/zinc/00/01/60/885000160.db2.gz JEXKVNXBDXPMJV-UHFFFAOYSA-N 2 1 281.360 -0.520 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1 ZINC001326352727 885002343 /nfs/dbraw/zinc/00/23/43/885002343.db2.gz JSCOPFDUAVSJFC-NXEZZACHSA-N 2 1 263.345 -0.080 20 0 CBADMP C[NH2+]C[C@](C)(O)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001326487301 885046019 /nfs/dbraw/zinc/04/60/19/885046019.db2.gz LLQMYIJLCNXCEJ-CABCVRRESA-N 2 1 284.448 -0.331 20 0 CBADMP C[N@H+](CC(=O)NC1(C)CC[NH+](CC(N)=O)CC1)C1CCC1 ZINC001446475382 912892210 /nfs/dbraw/zinc/89/22/10/912892210.db2.gz SKLYQAKCDDQPHA-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@@H+](CC(=O)NC1(C)CC[NH+](CC(N)=O)CC1)C1CCC1 ZINC001446475382 912892225 /nfs/dbraw/zinc/89/22/25/912892225.db2.gz SKLYQAKCDDQPHA-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@H]1CCC[NH2+]CC1)c1cnn(C)c1 ZINC001326597875 885082659 /nfs/dbraw/zinc/08/26/59/885082659.db2.gz ISSIODUGVGOSHX-NWDGAFQWSA-N 2 1 265.361 -0.061 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001446553070 912906672 /nfs/dbraw/zinc/90/66/72/912906672.db2.gz NGICJARLRRVRDT-RISCZKNCSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001446553070 912906689 /nfs/dbraw/zinc/90/66/89/912906689.db2.gz NGICJARLRRVRDT-RISCZKNCSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001446553070 912906698 /nfs/dbraw/zinc/90/66/98/912906698.db2.gz NGICJARLRRVRDT-RISCZKNCSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001446553070 912906711 /nfs/dbraw/zinc/90/67/11/912906711.db2.gz NGICJARLRRVRDT-RISCZKNCSA-N 2 1 284.404 -0.219 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC001327060603 885240433 /nfs/dbraw/zinc/24/04/33/885240433.db2.gz SAKBTJOBUQCGPN-ZYHUDNBSSA-N 2 1 265.361 -0.204 20 0 CBADMP C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001327088705 885253577 /nfs/dbraw/zinc/25/35/77/885253577.db2.gz AGXLVCFMMVXASA-HRCADAONSA-N 2 1 294.443 -0.171 20 0 CBADMP C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001327088705 885253591 /nfs/dbraw/zinc/25/35/91/885253591.db2.gz AGXLVCFMMVXASA-HRCADAONSA-N 2 1 294.443 -0.171 20 0 CBADMP C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001327088705 885253602 /nfs/dbraw/zinc/25/36/02/885253602.db2.gz AGXLVCFMMVXASA-HRCADAONSA-N 2 1 294.443 -0.171 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001446630395 912914271 /nfs/dbraw/zinc/91/42/71/912914271.db2.gz XAIWFHDLONHWLD-CQSZACIVSA-N 2 1 284.404 -0.358 20 0 CBADMP CCCCC[N@@H+](CCO)CC(=O)N1CC[NH2+]CC1 ZINC001327086702 885253834 /nfs/dbraw/zinc/25/38/34/885253834.db2.gz GGCFKFYSFILWTD-UHFFFAOYSA-N 2 1 257.378 -0.097 20 0 CBADMP O=C(C[N@H+]1CCC[C@@H]2COCC[C@@H]21)N1CC[NH2+]CC1 ZINC001327086711 885254790 /nfs/dbraw/zinc/25/47/90/885254790.db2.gz GKVWFIFBNKMNAP-OLZOCXBDSA-N 2 1 267.373 -0.081 20 0 CBADMP C[NH2+]CCC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001327122428 885266740 /nfs/dbraw/zinc/26/67/40/885266740.db2.gz YVTDXKQRUSNEPO-JTQLQIEISA-N 2 1 251.334 -0.498 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001446726052 912927113 /nfs/dbraw/zinc/92/71/13/912927113.db2.gz MROSSAQWPOKKJS-UHFFFAOYSA-N 2 1 287.404 -0.425 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CC1([NH3+])CC1 ZINC001327929202 885532318 /nfs/dbraw/zinc/53/23/18/885532318.db2.gz POMYDOKNSWEEIR-JTQLQIEISA-N 2 1 263.345 -0.226 20 0 CBADMP CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001446801012 912956429 /nfs/dbraw/zinc/95/64/29/912956429.db2.gz ZVIXTNQVVUTQRX-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001446801012 912956443 /nfs/dbraw/zinc/95/64/43/912956443.db2.gz ZVIXTNQVVUTQRX-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001446801012 912956456 /nfs/dbraw/zinc/95/64/56/912956456.db2.gz ZVIXTNQVVUTQRX-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001446801012 912956473 /nfs/dbraw/zinc/95/64/73/912956473.db2.gz ZVIXTNQVVUTQRX-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001446801012 912956490 /nfs/dbraw/zinc/95/64/90/912956490.db2.gz ZVIXTNQVVUTQRX-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001328370224 885659927 /nfs/dbraw/zinc/65/99/27/885659927.db2.gz MHKDWSNWPTUKCJ-GRYCIOLGSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001328370227 885660494 /nfs/dbraw/zinc/66/04/94/885660494.db2.gz MHKDWSNWPTUKCJ-SRVKXCTJSA-N 2 1 282.388 -0.737 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC001328841326 885825354 /nfs/dbraw/zinc/82/53/54/885825354.db2.gz NRZXOZWKXROJKQ-CQSZACIVSA-N 2 1 299.463 -0.591 20 0 CBADMP C[C@@H](C(=O)NCCC1(C[NH3+])CC1)N1CC[NH+](C)CC1 ZINC001328846593 885829360 /nfs/dbraw/zinc/82/93/60/885829360.db2.gz QPBHJYYSMVFSHF-LBPRGKRZSA-N 2 1 268.405 -0.133 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001446912393 912978129 /nfs/dbraw/zinc/97/81/29/912978129.db2.gz NFBXSMSPVFDTHX-CHWSQXEVSA-N 2 1 297.399 -0.863 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001446912393 912978143 /nfs/dbraw/zinc/97/81/43/912978143.db2.gz NFBXSMSPVFDTHX-CHWSQXEVSA-N 2 1 297.399 -0.863 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001446912397 912978991 /nfs/dbraw/zinc/97/89/91/912978991.db2.gz NFBXSMSPVFDTHX-OLZOCXBDSA-N 2 1 297.399 -0.863 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001446912397 912979004 /nfs/dbraw/zinc/97/90/04/912979004.db2.gz NFBXSMSPVFDTHX-OLZOCXBDSA-N 2 1 297.399 -0.863 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001446912402 912980181 /nfs/dbraw/zinc/98/01/81/912980181.db2.gz NFBXSMSPVFDTHX-QWHCGFSZSA-N 2 1 297.399 -0.863 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001446912402 912980194 /nfs/dbraw/zinc/98/01/94/912980194.db2.gz NFBXSMSPVFDTHX-QWHCGFSZSA-N 2 1 297.399 -0.863 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001446942050 912983023 /nfs/dbraw/zinc/98/30/23/912983023.db2.gz ODTRGIAACPYKLY-NWDGAFQWSA-N 2 1 284.404 -0.502 20 0 CBADMP C[C@@H]([NH2+]CCO)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001446940120 912983685 /nfs/dbraw/zinc/98/36/85/912983685.db2.gz GOOLHLCHJJAGOW-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC001329434911 886066169 /nfs/dbraw/zinc/06/61/69/886066169.db2.gz ZSLFRMGGXNAVOM-GHMZBOCLSA-N 2 1 295.387 -0.251 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC001329480965 886087605 /nfs/dbraw/zinc/08/76/05/886087605.db2.gz KTUZIIWFZGJFTK-UTUOFQBUSA-N 2 1 282.388 -0.594 20 0 CBADMP O=C(CN1CCOC[C@@H]1C1CC1)N1CCNCC1 ZINC001329500201 886098171 /nfs/dbraw/zinc/09/81/71/886098171.db2.gz ZLRWOTSAKGZNKO-GFCCVEGCSA-N 2 1 253.346 -0.471 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC[N@@H+]1C ZINC001329504408 886100901 /nfs/dbraw/zinc/10/09/01/886100901.db2.gz IHSKCZDKVUFGEN-FRRDWIJNSA-N 2 1 296.415 -0.267 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC[N@H+]1C ZINC001329504408 886100905 /nfs/dbraw/zinc/10/09/05/886100905.db2.gz IHSKCZDKVUFGEN-FRRDWIJNSA-N 2 1 296.415 -0.267 20 0 CBADMP COCC[NH2+]CC(=O)NCCCCN1CC[NH+](C)CC1 ZINC001329555670 886121544 /nfs/dbraw/zinc/12/15/44/886121544.db2.gz VUYXTHFOWQMGTD-UHFFFAOYSA-N 2 1 286.420 -0.634 20 0 CBADMP CCN1CC(CCO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001329707520 886183102 /nfs/dbraw/zinc/18/31/02/886183102.db2.gz JAANMGVHWBRWIU-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC001329893884 886263349 /nfs/dbraw/zinc/26/33/49/886263349.db2.gz ZAEYWVZVCYNYQM-GFCCVEGCSA-N 2 1 269.389 -0.053 20 0 CBADMP O[C@@H]1CC[N@H+](C2CCN(CCn3cncn3)CC2)C1 ZINC001329926873 886280878 /nfs/dbraw/zinc/28/08/78/886280878.db2.gz WRBJIJUXBXNHIO-CYBMUJFWSA-N 2 1 265.361 -0.191 20 0 CBADMP O[C@H]1CC[N@H+](C2CCN(CCn3cncn3)CC2)C1 ZINC001329926874 886282334 /nfs/dbraw/zinc/28/23/34/886282334.db2.gz WRBJIJUXBXNHIO-ZDUSSCGKSA-N 2 1 265.361 -0.191 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC001330870092 886607116 /nfs/dbraw/zinc/60/71/16/886607116.db2.gz JVFKJFFLPDZYRP-SDDRHHMPSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001330870091 886608453 /nfs/dbraw/zinc/60/84/53/886608453.db2.gz JVFKJFFLPDZYRP-QJPTWQEYSA-N 2 1 282.388 -0.417 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC001331041062 886653832 /nfs/dbraw/zinc/65/38/32/886653832.db2.gz PMJLIBLDWHOATQ-QWHCGFSZSA-N 2 1 296.415 -0.168 20 0 CBADMP CN(CCC[N@@H+](C)CC(N)=O)C(=O)C[NH+]1CCCC1 ZINC001447379646 913066957 /nfs/dbraw/zinc/06/69/57/913066957.db2.gz UZWFUVJAWYVWNU-UHFFFAOYSA-N 2 1 270.377 -0.652 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001447377584 913070247 /nfs/dbraw/zinc/07/02/47/913070247.db2.gz OSRMUYUMCMMCGE-ZDUSSCGKSA-N 2 1 298.431 -0.193 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001447377584 913070260 /nfs/dbraw/zinc/07/02/60/913070260.db2.gz OSRMUYUMCMMCGE-ZDUSSCGKSA-N 2 1 298.431 -0.193 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001447377584 913070272 /nfs/dbraw/zinc/07/02/72/913070272.db2.gz OSRMUYUMCMMCGE-ZDUSSCGKSA-N 2 1 298.431 -0.193 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001331168152 886708150 /nfs/dbraw/zinc/70/81/50/886708150.db2.gz PPKLOLKYLRDFBJ-IJLUTSLNSA-N 2 1 294.399 -0.275 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H](C[NH2+]CCO)C1CC1 ZINC001331271802 886761007 /nfs/dbraw/zinc/76/10/07/886761007.db2.gz YKSMTCNTYQRLQD-STQMWFEESA-N 2 1 269.389 -0.101 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001331409122 886797542 /nfs/dbraw/zinc/79/75/42/886797542.db2.gz HUAYWSUOUJSVGI-RYUDHWBXSA-N 2 1 270.377 -0.290 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC001331490681 886821052 /nfs/dbraw/zinc/82/10/52/886821052.db2.gz ZQSAWGRIPSBWGT-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001331572521 886851167 /nfs/dbraw/zinc/85/11/67/886851167.db2.gz BQEYHDCELJZMJQ-WRWGMCAJSA-N 2 1 282.388 -0.467 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC001331587120 886856709 /nfs/dbraw/zinc/85/67/09/886856709.db2.gz QPELBOCRFQAZDE-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CCO ZINC001331617133 886868922 /nfs/dbraw/zinc/86/89/22/886868922.db2.gz SGGSMCCKENQGPR-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331665433 886891726 /nfs/dbraw/zinc/89/17/26/886891726.db2.gz AJKADXQFMMNJON-AVGNSLFASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001331689804 886911831 /nfs/dbraw/zinc/91/18/31/886911831.db2.gz OGJBSXXGWJNGIF-QJPTWQEYSA-N 2 1 255.362 -0.097 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC001331770243 886966356 /nfs/dbraw/zinc/96/63/56/886966356.db2.gz KDNAVNCTCPSEQM-LBPRGKRZSA-N 2 1 267.373 -0.347 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC001331770243 886966377 /nfs/dbraw/zinc/96/63/77/886966377.db2.gz KDNAVNCTCPSEQM-LBPRGKRZSA-N 2 1 267.373 -0.347 20 0 CBADMP COCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001331773040 886972228 /nfs/dbraw/zinc/97/22/28/886972228.db2.gz SJROJZDRMQUZMU-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001331853461 887016608 /nfs/dbraw/zinc/01/66/08/887016608.db2.gz SFLKUFALJDWYIM-LBPRGKRZSA-N 2 1 282.388 -0.510 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC[C@H](C)[NH3+])C(C)C ZINC001331956592 887060543 /nfs/dbraw/zinc/06/05/43/887060543.db2.gz AVLSOXDAUDSEHE-NSHDSACASA-N 2 1 272.393 -0.314 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001332288867 887187529 /nfs/dbraw/zinc/18/75/29/887187529.db2.gz USRUFOOIPNFGMT-RNJOBUHISA-N 2 1 294.399 -0.417 20 0 CBADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H](O)COC2CCOCC2)C1 ZINC001332365433 887230973 /nfs/dbraw/zinc/23/09/73/887230973.db2.gz SLOQNPNSKGBWLM-RYUDHWBXSA-N 2 1 258.362 -0.177 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001332390621 887248375 /nfs/dbraw/zinc/24/83/75/887248375.db2.gz HHIKNEYIMYODLE-RWMBFGLXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001332390624 887249982 /nfs/dbraw/zinc/24/99/82/887249982.db2.gz HHIKNEYIMYODLE-YNEHKIRRSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001332423545 887275702 /nfs/dbraw/zinc/27/57/02/887275702.db2.gz DVJBEABCTMHAPR-RYUDHWBXSA-N 3 1 254.378 -0.665 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001332423545 887275720 /nfs/dbraw/zinc/27/57/20/887275720.db2.gz DVJBEABCTMHAPR-RYUDHWBXSA-N 3 1 254.378 -0.665 20 0 CBADMP C[C@H](O)C[NH2+]CC1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001447813872 913131372 /nfs/dbraw/zinc/13/13/72/913131372.db2.gz DHBPUBKCWGEBJR-HSBZDZAISA-N 2 1 299.415 -0.426 20 0 CBADMP [NH3+]CCCOCCNCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC001332473742 887305036 /nfs/dbraw/zinc/30/50/36/887305036.db2.gz QBTVHTDILMILAN-LBPRGKRZSA-N 2 1 282.392 -0.342 20 0 CBADMP [NH3+]CCCOCCNCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC001332473735 887305398 /nfs/dbraw/zinc/30/53/98/887305398.db2.gz QBTVHTDILMILAN-GFCCVEGCSA-N 2 1 282.392 -0.342 20 0 CBADMP CN(C[C@H](O)C[NH2+]CCCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001332591164 887369533 /nfs/dbraw/zinc/36/95/33/887369533.db2.gz DNCOXEHERVCCAI-QWHCGFSZSA-N 2 1 287.404 -0.881 20 0 CBADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)CO)CC2)C1 ZINC001332685595 887403440 /nfs/dbraw/zinc/40/34/40/887403440.db2.gz UUVPDXDKEHNLCD-STQMWFEESA-N 2 1 257.378 -0.949 20 0 CBADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)CO)CC2)C1 ZINC001332685595 887403449 /nfs/dbraw/zinc/40/34/49/887403449.db2.gz UUVPDXDKEHNLCD-STQMWFEESA-N 2 1 257.378 -0.949 20 0 CBADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC001332717418 887418278 /nfs/dbraw/zinc/41/82/78/887418278.db2.gz QPNWVICUKGKYPN-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC001332717418 887418284 /nfs/dbraw/zinc/41/82/84/887418284.db2.gz QPNWVICUKGKYPN-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001332722055 887418515 /nfs/dbraw/zinc/41/85/15/887418515.db2.gz CUXYGUBUUUGANX-NWDGAFQWSA-N 2 1 256.394 -0.277 20 0 CBADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001332717419 887418649 /nfs/dbraw/zinc/41/86/49/887418649.db2.gz QPNWVICUKGKYPN-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001332717419 887418657 /nfs/dbraw/zinc/41/86/57/887418657.db2.gz QPNWVICUKGKYPN-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001447870289 913149672 /nfs/dbraw/zinc/14/96/72/913149672.db2.gz BWONUESQGSDQQM-WDEREUQCSA-N 2 1 281.360 -0.580 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001447870288 913149818 /nfs/dbraw/zinc/14/98/18/913149818.db2.gz BWONUESQGSDQQM-QWRGUYRKSA-N 2 1 281.360 -0.580 20 0 CBADMP C[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001333338526 887602898 /nfs/dbraw/zinc/60/28/98/887602898.db2.gz PCRRTRQZEPRAEY-NXEZZACHSA-N 2 1 251.334 -0.370 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001447916347 913167282 /nfs/dbraw/zinc/16/72/82/913167282.db2.gz YCSIFRUMUVRNOV-GHMZBOCLSA-N 2 1 297.407 -0.465 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001447916347 913167287 /nfs/dbraw/zinc/16/72/87/913167287.db2.gz YCSIFRUMUVRNOV-GHMZBOCLSA-N 2 1 297.407 -0.465 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC[N@H+]1C ZINC001333378742 887616570 /nfs/dbraw/zinc/61/65/70/887616570.db2.gz GLLFUEDLEOXWLW-XQQFMLRXSA-N 2 1 296.415 -0.075 20 0 CBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001333404379 887625363 /nfs/dbraw/zinc/62/53/63/887625363.db2.gz NNQALUKPXRKXRN-TUAOUCFPSA-N 2 1 292.383 -0.698 20 0 CBADMP C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCNCC[NH2+]CC1 ZINC001333530164 887677470 /nfs/dbraw/zinc/67/74/70/887677470.db2.gz UXHPICUSSXGIHQ-LBPRGKRZSA-N 2 1 254.378 -0.998 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC001333548011 887688157 /nfs/dbraw/zinc/68/81/57/887688157.db2.gz KTUZIIWFZGJFTK-GRYCIOLGSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC001333626091 887724210 /nfs/dbraw/zinc/72/42/10/887724210.db2.gz OGHPGUPCVLQIDT-NSHDSACASA-N 2 1 284.404 -0.170 20 0 CBADMP CCN(C(=O)[C@@H](C)N1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC001333751976 887760622 /nfs/dbraw/zinc/76/06/22/887760622.db2.gz VCSYWZSHCBNRAG-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333958048 887817745 /nfs/dbraw/zinc/81/77/45/887817745.db2.gz AANQMSJSSMDWGI-XQQFMLRXSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001447993347 913185964 /nfs/dbraw/zinc/18/59/64/913185964.db2.gz QZBKVEJZVJNNCG-NWDGAFQWSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)CC(N)=O ZINC001448039738 913198129 /nfs/dbraw/zinc/19/81/29/913198129.db2.gz JAMFFCAHFCIRIY-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)CC(N)=O ZINC001448039738 913198141 /nfs/dbraw/zinc/19/81/41/913198141.db2.gz JAMFFCAHFCIRIY-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)CC(N)=O ZINC001448039738 913198157 /nfs/dbraw/zinc/19/81/57/913198157.db2.gz JAMFFCAHFCIRIY-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)CC(N)=O ZINC001448039738 913198173 /nfs/dbraw/zinc/19/81/73/913198173.db2.gz JAMFFCAHFCIRIY-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001448079384 913216442 /nfs/dbraw/zinc/21/64/42/913216442.db2.gz NPUFWBFHGBHKFJ-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001448079384 913216460 /nfs/dbraw/zinc/21/64/60/913216460.db2.gz NPUFWBFHGBHKFJ-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@](Cn1cccn1)([NH2+]C[C@H]1CCC[NH2+]C1)C(N)=O ZINC001334736619 888303746 /nfs/dbraw/zinc/30/37/46/888303746.db2.gz BMLOCPXHURXNIF-AAEUAGOBSA-N 2 1 265.361 -0.284 20 0 CBADMP CCCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001448145013 913237650 /nfs/dbraw/zinc/23/76/50/913237650.db2.gz GOASLHFQECWZJW-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001448145013 913237664 /nfs/dbraw/zinc/23/76/64/913237664.db2.gz GOASLHFQECWZJW-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001448145013 913237681 /nfs/dbraw/zinc/23/76/81/913237681.db2.gz GOASLHFQECWZJW-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448145013 913237696 /nfs/dbraw/zinc/23/76/96/913237696.db2.gz GOASLHFQECWZJW-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCNCC[NH2+]CC1 ZINC001335350282 888512584 /nfs/dbraw/zinc/51/25/84/888512584.db2.gz GDFSJTPRRULREB-UONOGXRCSA-N 2 1 295.431 -0.182 20 0 CBADMP CC[NH+]1CCN(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC001335384899 888519737 /nfs/dbraw/zinc/51/97/37/888519737.db2.gz RZRIXXIIRJBVPO-HNNXBMFYSA-N 3 1 284.448 -0.330 20 0 CBADMP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1nncn1C ZINC001335449722 888536624 /nfs/dbraw/zinc/53/66/24/888536624.db2.gz UNZYLTGOOJAVJX-ZYHUDNBSSA-N 2 1 267.377 -0.037 20 0 CBADMP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1nncn1C ZINC001335449722 888536632 /nfs/dbraw/zinc/53/66/32/888536632.db2.gz UNZYLTGOOJAVJX-ZYHUDNBSSA-N 2 1 267.377 -0.037 20 0 CBADMP C[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001335556449 888564339 /nfs/dbraw/zinc/56/43/39/888564339.db2.gz WLKQKIQLIFKCKU-NNYUYHANSA-N 2 1 252.362 -0.012 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001335788960 888628779 /nfs/dbraw/zinc/62/87/79/888628779.db2.gz ONYHMKZGATVGQR-AVGNSLFASA-N 2 1 268.405 -0.182 20 0 CBADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001336095187 888692838 /nfs/dbraw/zinc/69/28/38/888692838.db2.gz LVPXLJAVNFRCFE-OWCLPIDISA-N 3 1 294.443 -0.266 20 0 CBADMP C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001336330353 888746170 /nfs/dbraw/zinc/74/61/70/888746170.db2.gz KZOXBXMSENJCQN-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001336330353 888746173 /nfs/dbraw/zinc/74/61/73/888746173.db2.gz KZOXBXMSENJCQN-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001448314781 913275717 /nfs/dbraw/zinc/27/57/17/913275717.db2.gz AADYFFWRAODLRP-ZJUUUORDSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)NC3CC[NH2+]CC3)cc2C[NH2+]1 ZINC001336686818 888846426 /nfs/dbraw/zinc/84/64/26/888846426.db2.gz HXJKLFWWZPMIGV-SECBINFHSA-N 2 1 263.345 -0.143 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)CN1CC[NH+](C)CC1 ZINC001336731126 888858307 /nfs/dbraw/zinc/85/83/07/888858307.db2.gz BYFZSGDTUCYFKL-LBPRGKRZSA-N 2 1 266.393 -0.212 20 0 CBADMP C[N@H+](C[C@H](O)CNCCC(=O)Nc1ccncc1)C1CC1 ZINC001336749734 888867469 /nfs/dbraw/zinc/86/74/69/888867469.db2.gz IYXOZOCUSVTEBI-CQSZACIVSA-N 2 1 292.383 -0.123 20 0 CBADMP C[N@@H+](C[C@H](O)CNCCC(=O)Nc1ccncc1)C1CC1 ZINC001336749734 888867481 /nfs/dbraw/zinc/86/74/81/888867481.db2.gz IYXOZOCUSVTEBI-CQSZACIVSA-N 2 1 292.383 -0.123 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CCC(=O)Nc1ccncc1)C1CC1 ZINC001336749734 888867489 /nfs/dbraw/zinc/86/74/89/888867489.db2.gz IYXOZOCUSVTEBI-CQSZACIVSA-N 2 1 292.383 -0.123 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CCC(=O)Nc1ccncc1)C1CC1 ZINC001336749734 888867497 /nfs/dbraw/zinc/86/74/97/888867497.db2.gz IYXOZOCUSVTEBI-CQSZACIVSA-N 2 1 292.383 -0.123 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001336831141 888893144 /nfs/dbraw/zinc/89/31/44/888893144.db2.gz YCNBWABLRHHMMR-VXGBXAGGSA-N 2 1 272.393 -0.138 20 0 CBADMP C[C@@H](NC(=O)N1CCNCC[NH2+]CC1)C1=CC[N@@H+](C)CC1 ZINC001336870434 888904863 /nfs/dbraw/zinc/90/48/63/888904863.db2.gz BSIWFVCRVCMLIU-CYBMUJFWSA-N 2 1 295.431 -0.159 20 0 CBADMP CC[NH2+]CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001336905764 888916340 /nfs/dbraw/zinc/91/63/40/888916340.db2.gz IXVZWJIBGFEFFH-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)N[C@@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC001336931934 888925265 /nfs/dbraw/zinc/92/52/65/888925265.db2.gz CVCHCPPIDWDNFO-WZRBSPASSA-N 2 1 252.362 -0.059 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001448426815 913297132 /nfs/dbraw/zinc/29/71/32/913297132.db2.gz IUUGYURVVLCTFA-FVCCEPFGSA-N 2 1 296.415 -0.504 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001337441791 889011205 /nfs/dbraw/zinc/01/12/05/889011205.db2.gz USRUFOOIPNFGMT-LPWJVIDDSA-N 2 1 294.399 -0.417 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001448475641 913304467 /nfs/dbraw/zinc/30/44/67/913304467.db2.gz IGDVRYZDNXJMNV-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001448475641 913304485 /nfs/dbraw/zinc/30/44/85/913304485.db2.gz IGDVRYZDNXJMNV-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001338065062 889113435 /nfs/dbraw/zinc/11/34/35/889113435.db2.gz NZHUTITYSZBMJA-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001338065062 889113439 /nfs/dbraw/zinc/11/34/39/889113439.db2.gz NZHUTITYSZBMJA-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N3CCC[NH2+]CC3)cc2C[NH2+]1 ZINC001338369608 889148737 /nfs/dbraw/zinc/14/87/37/889148737.db2.gz SRLYWSMZDRNHTN-JTQLQIEISA-N 2 1 263.345 -0.190 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCNCC[NH2+]CC1 ZINC001338536177 889172668 /nfs/dbraw/zinc/17/26/68/889172668.db2.gz XUVPHAVWGAIAMC-AWEZNQCLSA-N 2 1 295.431 -0.325 20 0 CBADMP O=c1ccncn1CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC001338549721 889173444 /nfs/dbraw/zinc/17/34/44/889173444.db2.gz HRFOKEGPHPZAAS-GFCCVEGCSA-N 2 1 266.345 -0.710 20 0 CBADMP C[NH2+]CCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001338627710 889184464 /nfs/dbraw/zinc/18/44/64/889184464.db2.gz XBWFJFOTFWRJRW-VXGBXAGGSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@H](C[NH3+])NC(=O)NCCCCC[NH+]1CCNCC1 ZINC001338643296 889187530 /nfs/dbraw/zinc/18/75/30/889187530.db2.gz HIJSUJVNCIPOMI-GFCCVEGCSA-N 2 1 271.409 -0.292 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001339069370 889234480 /nfs/dbraw/zinc/23/44/80/889234480.db2.gz MNUDEEHRFNFHMD-GFCCVEGCSA-N 2 1 266.389 -0.556 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC001339208015 889255013 /nfs/dbraw/zinc/25/50/13/889255013.db2.gz WHVKFKSYLCBTAR-ZJUUUORDSA-N 2 1 261.391 -0.405 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C[C@@H](C)[NH2+]1 ZINC001339716147 889315555 /nfs/dbraw/zinc/31/55/55/889315555.db2.gz SRYZYEYMIAADRS-LPWJVIDDSA-N 2 1 266.389 -0.417 20 0 CBADMP C[C@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@H](O)C[NH2+]1 ZINC001340189921 889404862 /nfs/dbraw/zinc/40/48/62/889404862.db2.gz GAOQOCCVZHOOEG-XHVZSJERSA-N 2 1 253.346 -0.548 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340199268 889408127 /nfs/dbraw/zinc/40/81/27/889408127.db2.gz FPHGGYZABYTICT-DGCLKSJQSA-N 2 1 257.378 -0.053 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001340239809 889413948 /nfs/dbraw/zinc/41/39/48/889413948.db2.gz CCCSRBVJXLRFPO-SCRDCRAPSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)C[N@H+]1C1CC1 ZINC001340242652 889414677 /nfs/dbraw/zinc/41/46/77/889414677.db2.gz VIZUEEFQSSZUJX-ATZCPNFKSA-N 2 1 255.362 -0.174 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001340242707 889415406 /nfs/dbraw/zinc/41/54/06/889415406.db2.gz WPIKWLLQKMWUSU-GFCCVEGCSA-N 2 1 286.420 -0.772 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001340281896 889416400 /nfs/dbraw/zinc/41/64/00/889416400.db2.gz MXKSQVGRLPRFQK-MROQNXINSA-N 2 1 266.389 -0.239 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C)c1cnn(C)c1 ZINC001340366040 889427775 /nfs/dbraw/zinc/42/77/75/889427775.db2.gz YURWUDWHXRJRHC-AXFHLTTASA-N 2 1 265.361 -0.077 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C)c1cnn(C)c1 ZINC001340366044 889428848 /nfs/dbraw/zinc/42/88/48/889428848.db2.gz YURWUDWHXRJRHC-MXWKQRLJSA-N 2 1 265.361 -0.077 20 0 CBADMP C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001448687811 913350422 /nfs/dbraw/zinc/35/04/22/913350422.db2.gz WBZDPBPKKMCHAP-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001448687805 913351025 /nfs/dbraw/zinc/35/10/25/913351025.db2.gz WBZDPBPKKMCHAP-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001340839532 889495066 /nfs/dbraw/zinc/49/50/66/889495066.db2.gz TVBQGZSHZGSNIK-MNOVXSKESA-N 2 1 257.378 -0.245 20 0 CBADMP C[NH2+]C1CC(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC001340852576 889497875 /nfs/dbraw/zinc/49/78/75/889497875.db2.gz HZTNDLVSDVDMQV-MOENNCHZSA-N 2 1 255.362 -0.179 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001340852586 889498127 /nfs/dbraw/zinc/49/81/27/889498127.db2.gz IBHDZRPGJFATSS-UHTWSYAYSA-N 2 1 269.389 -0.197 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001340854261 889498185 /nfs/dbraw/zinc/49/81/85/889498185.db2.gz PYUNLROBVJKQBL-NDBYEHHHSA-N 2 1 267.373 -0.321 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001340847263 889498214 /nfs/dbraw/zinc/49/82/14/889498214.db2.gz YPOQQWACOSRNSH-GMXVVIOVSA-N 2 1 257.378 -0.054 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001340891894 889507256 /nfs/dbraw/zinc/50/72/56/889507256.db2.gz BZPJKAQGEGNZNL-SDDRHHMPSA-N 2 1 252.362 -0.805 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341098976 889542315 /nfs/dbraw/zinc/54/23/15/889542315.db2.gz CEFQKEYSXDDDIF-ZDUSSCGKSA-N 2 1 268.405 -0.118 20 0 CBADMP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1nncn1C ZINC001448719735 913357434 /nfs/dbraw/zinc/35/74/34/913357434.db2.gz PDZQXPIGPRGKIN-LLVKDONJSA-N 2 1 282.392 -0.297 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H]1CCCC[NH2+]1 ZINC001341243730 889564929 /nfs/dbraw/zinc/56/49/29/889564929.db2.gz KABLGVWUSBJMSU-JHJVBQTASA-N 2 1 266.389 -0.367 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC001341340992 889576789 /nfs/dbraw/zinc/57/67/89/889576789.db2.gz JBXRZWFXFKTFDR-XQQFMLRXSA-N 2 1 268.405 -0.134 20 0 CBADMP CN1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC[N@@H+](C)CC1 ZINC001341394744 889590228 /nfs/dbraw/zinc/59/02/28/889590228.db2.gz DKPJDFFXSAIJNW-ZDUSSCGKSA-N 2 1 266.389 -0.260 20 0 CBADMP CN(CCOCC[NH3+])C(=O)c1cnc(C[NH3+])s1 ZINC001341472119 889603427 /nfs/dbraw/zinc/60/34/27/889603427.db2.gz CEUPCMAQVHYZPT-UHFFFAOYSA-N 2 1 258.347 -0.351 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1)C1CC1 ZINC001341584950 889628595 /nfs/dbraw/zinc/62/85/95/889628595.db2.gz KLJPNTQFBPVGOM-AAEUAGOBSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@@H]([NH3+])C1(C(=O)NCCC[NH+]2CCOCC2)CCOCC1 ZINC001341630708 889637177 /nfs/dbraw/zinc/63/71/77/889637177.db2.gz GJVSYQGVBWRISC-CYBMUJFWSA-N 2 1 299.415 -0.031 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001341688775 889648406 /nfs/dbraw/zinc/64/84/06/889648406.db2.gz LCVMEWQUXRGUQA-RNJOBUHISA-N 2 1 264.373 -0.805 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341715280 889651261 /nfs/dbraw/zinc/65/12/61/889651261.db2.gz SXVLXFVYCLYXSE-DGCLKSJQSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H]([NH3+])C1CC1 ZINC001341734513 889653890 /nfs/dbraw/zinc/65/38/90/889653890.db2.gz VQCFTDSXTKRHLM-YUSALJHKSA-N 2 1 252.362 -0.772 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341776509 889660033 /nfs/dbraw/zinc/66/00/33/889660033.db2.gz POUPFYXOWAWMJK-DGCLKSJQSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001341763557 889660047 /nfs/dbraw/zinc/66/00/47/889660047.db2.gz FERKXJMUGONKQX-WOPDTQHZSA-N 2 1 254.378 -0.511 20 0 CBADMP CN1CC[NH2+]C[C@H]1C(=O)NCCCCC[NH+]1CCNCC1 ZINC001341823566 889668604 /nfs/dbraw/zinc/66/86/04/889668604.db2.gz PULCKCCLJMWMIO-AWEZNQCLSA-N 2 1 297.447 -0.918 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001341940483 889686382 /nfs/dbraw/zinc/68/63/82/889686382.db2.gz KDLKGHGLGJHMFG-IJLUTSLNSA-N 2 1 256.394 -0.280 20 0 CBADMP C[C@H](NC(=O)C[NH2+]CC1CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001342036606 889702149 /nfs/dbraw/zinc/70/21/49/889702149.db2.gz QSKUNWDYAVLHDO-AAEUAGOBSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1([NH3+])CCCC1 ZINC001342128269 889718033 /nfs/dbraw/zinc/71/80/33/889718033.db2.gz ZQONAXFCUIWRNF-NWDGAFQWSA-N 2 1 266.389 -0.238 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C)c1cnn(C)c1 ZINC001342415616 889770214 /nfs/dbraw/zinc/77/02/14/889770214.db2.gz MFGANLSLLZUKDQ-IEBDPFPHSA-N 2 1 251.334 -0.595 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]C[C@H]2CO)C1 ZINC001342441114 889775906 /nfs/dbraw/zinc/77/59/06/889775906.db2.gz ULXAIZSMKUBBIA-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1[C@H](NC(=O)c2cn(CCC[NH3+])nn2)CC[N@H+]1C ZINC001342569258 889792043 /nfs/dbraw/zinc/79/20/43/889792043.db2.gz IQYGXKNCZSVHSQ-NXEZZACHSA-N 2 1 266.349 -0.551 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[N@H+]1C ZINC001342571838 889795316 /nfs/dbraw/zinc/79/53/16/889795316.db2.gz YMVUHMGICRPZBA-UTUOFQBUSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H]([NH3+])CC(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001342641751 889808108 /nfs/dbraw/zinc/80/81/08/889808108.db2.gz IEIAOZPSZKEUBZ-ZANVPECISA-N 2 1 263.345 -0.280 20 0 CBADMP O=C(C[NH2+]C1CC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001342695837 889818410 /nfs/dbraw/zinc/81/84/10/889818410.db2.gz KYCQKSNHXLXLFW-QWHCGFSZSA-N 2 1 267.373 -0.204 20 0 CBADMP O=C(C[NH+]1CCC(CO)CC1)NC[C@@H]1CCC[NH2+]1 ZINC001343038067 889858336 /nfs/dbraw/zinc/85/83/36/889858336.db2.gz PCBCJYYFQBDWPQ-LBPRGKRZSA-N 2 1 255.362 -0.441 20 0 CBADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC001343024753 889859635 /nfs/dbraw/zinc/85/96/35/889859635.db2.gz FIWYWLQIMVUUKK-LDYMZIIASA-N 2 1 267.308 -0.128 20 0 CBADMP C[C@H](C(=O)N[C@H]1C[C@H](C[NH3+])C1)N1CC[NH+](C)CC1 ZINC001343085825 889868063 /nfs/dbraw/zinc/86/80/63/889868063.db2.gz OCALKIQFBVAOGT-IJLUTSLNSA-N 2 1 254.378 -0.524 20 0 CBADMP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1)[N@@H+](C)C1CC1 ZINC001343419216 889903596 /nfs/dbraw/zinc/90/35/96/889903596.db2.gz CJYBCJZWFHCOCE-IRUJWGPZSA-N 2 1 255.362 -0.302 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N[C@H]3CCC[NH2+]C3)cc2C[NH2+]1 ZINC001343457569 889913821 /nfs/dbraw/zinc/91/38/21/889913821.db2.gz DVINYBWDGZPLLR-UWVGGRQHSA-N 2 1 263.345 -0.143 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3=NO[C@H](C[NH3+])C3)[C@@H]2C1 ZINC001343592895 889938002 /nfs/dbraw/zinc/93/80/02/889938002.db2.gz SLLCZEZBCXYUSF-MMWGEVLESA-N 2 1 266.345 -0.454 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001344410032 890022504 /nfs/dbraw/zinc/02/25/04/890022504.db2.gz CLDKSXHJOTWNIS-UTLUCORTSA-N 2 1 263.345 -0.064 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)c1cnn(C)c1 ZINC001344446820 890026745 /nfs/dbraw/zinc/02/67/45/890026745.db2.gz BLRCPYCYGAEMGG-FBIMIBRVSA-N 2 1 251.334 -0.466 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)CCCNC(=O)C2CC2)CC1 ZINC001344708906 890056909 /nfs/dbraw/zinc/05/69/09/890056909.db2.gz RELOTEGWJFTXKU-UHFFFAOYSA-N 2 1 296.415 -0.168 20 0 CBADMP [NH3+]CCNCC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001344778097 890063470 /nfs/dbraw/zinc/06/34/70/890063470.db2.gz PKMQXRZWRGINNG-WDEREUQCSA-N 2 1 272.418 -0.769 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001344849059 890074243 /nfs/dbraw/zinc/07/42/43/890074243.db2.gz YLPXJTNSGLVOHA-ZANVPECISA-N 2 1 263.345 -0.422 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC001345189644 890110984 /nfs/dbraw/zinc/11/09/84/890110984.db2.gz CPFASWPUDYUJAK-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCC2([NH3+])CC2)CC1 ZINC001345296236 890118472 /nfs/dbraw/zinc/11/84/72/890118472.db2.gz XEJNXUFLOBHVEP-UHFFFAOYSA-N 2 1 254.378 -0.379 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001345501073 890138118 /nfs/dbraw/zinc/13/81/18/890138118.db2.gz JGPSEEQZOMELLL-UJPOAAIJSA-N 2 1 264.373 -0.616 20 0 CBADMP C[NH2+]CCCC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001346229689 890245665 /nfs/dbraw/zinc/24/56/65/890245665.db2.gz WIGVRQIBOWLZCM-VXGBXAGGSA-N 2 1 256.394 -0.264 20 0 CBADMP C[NH2+]CCCC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001346229689 890245693 /nfs/dbraw/zinc/24/56/93/890245693.db2.gz WIGVRQIBOWLZCM-VXGBXAGGSA-N 2 1 256.394 -0.264 20 0 CBADMP C[NH2+]CCCC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001346229689 890245708 /nfs/dbraw/zinc/24/57/08/890245708.db2.gz WIGVRQIBOWLZCM-VXGBXAGGSA-N 2 1 256.394 -0.264 20 0 CBADMP C[NH2+]CCCC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346229688 890247450 /nfs/dbraw/zinc/24/74/50/890247450.db2.gz WIGVRQIBOWLZCM-RYUDHWBXSA-N 2 1 256.394 -0.264 20 0 CBADMP C[NH2+]CCCC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001346229688 890247463 /nfs/dbraw/zinc/24/74/63/890247463.db2.gz WIGVRQIBOWLZCM-RYUDHWBXSA-N 2 1 256.394 -0.264 20 0 CBADMP C[C@H](CCC[NH3+])NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC001346056989 890208202 /nfs/dbraw/zinc/20/82/02/890208202.db2.gz XHWIVSBTCZXXPA-VXGBXAGGSA-N 2 1 256.394 -0.134 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N3CC[NH2+][C@@H](C)C3)cc2C[NH2+]1 ZINC001346057679 890209155 /nfs/dbraw/zinc/20/91/55/890209155.db2.gz QUYCVAPSSRXDJN-VHSXEESVSA-N 2 1 263.345 -0.191 20 0 CBADMP C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CN(C)CCN1C ZINC001346228792 890243523 /nfs/dbraw/zinc/24/35/23/890243523.db2.gz MEZGFYYOSILBMF-WISYIIOYSA-N 2 1 254.378 -0.526 20 0 CBADMP C[NH2+]CCCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001346229688 890247424 /nfs/dbraw/zinc/24/74/24/890247424.db2.gz WIGVRQIBOWLZCM-RYUDHWBXSA-N 2 1 256.394 -0.264 20 0 CBADMP C[NH2+]CCCC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001346229687 890247854 /nfs/dbraw/zinc/24/78/54/890247854.db2.gz WIGVRQIBOWLZCM-NWDGAFQWSA-N 2 1 256.394 -0.264 20 0 CBADMP C[NH2+]CCCC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001346229687 890247880 /nfs/dbraw/zinc/24/78/80/890247880.db2.gz WIGVRQIBOWLZCM-NWDGAFQWSA-N 2 1 256.394 -0.264 20 0 CBADMP C[NH2+]CCCC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001346229687 890247895 /nfs/dbraw/zinc/24/78/95/890247895.db2.gz WIGVRQIBOWLZCM-NWDGAFQWSA-N 2 1 256.394 -0.264 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC001346317643 890269148 /nfs/dbraw/zinc/26/91/48/890269148.db2.gz AKMHQVGGMFHRKV-OLZOCXBDSA-N 2 1 268.405 -0.262 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@]3(C)C[NH2+]CCO3)[C@@H]2C1 ZINC001346384814 890279691 /nfs/dbraw/zinc/27/96/91/890279691.db2.gz GJRRFIBMIQXLIM-KZVDOYCCSA-N 2 1 267.373 -0.179 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CC[NH+](C)C ZINC001346611699 890332460 /nfs/dbraw/zinc/33/24/60/890332460.db2.gz LULZJFXQDBAESR-VXGBXAGGSA-N 2 1 254.378 -0.605 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@H]1CCC[NH+]1C ZINC001347361484 890454882 /nfs/dbraw/zinc/45/48/82/890454882.db2.gz HAVCGDSYTGRITF-AGIUHOORSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC001347361484 890454892 /nfs/dbraw/zinc/45/48/92/890454892.db2.gz HAVCGDSYTGRITF-AGIUHOORSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@@H]1CCC[N@H+]1C ZINC001347361484 890454903 /nfs/dbraw/zinc/45/49/03/890454903.db2.gz HAVCGDSYTGRITF-AGIUHOORSA-N 2 1 266.389 -0.415 20 0 CBADMP Cc1nn(CCO)c(C)c1C[N@@H+](C)CCOCC[NH3+] ZINC001348446223 890626677 /nfs/dbraw/zinc/62/66/77/890626677.db2.gz BPWPSFZISQOJHV-UHFFFAOYSA-N 2 1 270.377 -0.101 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001348447498 890627759 /nfs/dbraw/zinc/62/77/59/890627759.db2.gz QOGVUQRYILTBAF-QJPTWQEYSA-N 2 1 254.378 -0.476 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccnn1C ZINC001448958811 913472448 /nfs/dbraw/zinc/47/24/48/913472448.db2.gz ZRXHUGNGEOWSOG-LBPRGKRZSA-N 2 1 297.403 -0.673 20 0 CBADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC001349399168 890806500 /nfs/dbraw/zinc/80/65/00/890806500.db2.gz YUIHCGOFOZBYLY-DGCLKSJQSA-N 3 1 264.377 -0.017 20 0 CBADMP [NH3+]Cc1cn([C@@H]2CCCN(C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC001349399168 890806509 /nfs/dbraw/zinc/80/65/09/890806509.db2.gz YUIHCGOFOZBYLY-DGCLKSJQSA-N 2 1 264.377 -0.017 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N1CC[NH+](C)CC1 ZINC001349416956 890809531 /nfs/dbraw/zinc/80/95/31/890809531.db2.gz BESAZVXNMHGVKM-FRRDWIJNSA-N 2 1 268.405 -0.121 20 0 CBADMP C[NH+](C)CCC(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001349452154 890817792 /nfs/dbraw/zinc/81/77/92/890817792.db2.gz KKNNQUPZFRCJCV-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC001349808202 890896083 /nfs/dbraw/zinc/89/60/83/890896083.db2.gz MFZBDSHADDDCHO-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1(C)C ZINC001350063143 890930208 /nfs/dbraw/zinc/93/02/08/890930208.db2.gz QGRSLOAFSHADHE-XYPYZODXSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1(C)C ZINC001350063143 890930221 /nfs/dbraw/zinc/93/02/21/890930221.db2.gz QGRSLOAFSHADHE-XYPYZODXSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCOCC[NH+](C)C ZINC001351731711 891178097 /nfs/dbraw/zinc/17/80/97/891178097.db2.gz NKVGFVZBKRXPNO-CHWSQXEVSA-N 2 1 284.404 -0.931 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH+](C)CCO)C1 ZINC001449220899 913546846 /nfs/dbraw/zinc/54/68/46/913546846.db2.gz XXTKKJNBZZRCNK-OLZOCXBDSA-N 2 1 287.404 -0.928 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)C1 ZINC001449220899 913546863 /nfs/dbraw/zinc/54/68/63/913546863.db2.gz XXTKKJNBZZRCNK-OLZOCXBDSA-N 2 1 287.404 -0.928 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)C1 ZINC001449220899 913546877 /nfs/dbraw/zinc/54/68/77/913546877.db2.gz XXTKKJNBZZRCNK-OLZOCXBDSA-N 2 1 287.404 -0.928 20 0 CBADMP C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH]cn1 ZINC001449203230 913543095 /nfs/dbraw/zinc/54/30/95/913543095.db2.gz XXKRYZAOYRPDLP-AAEUAGOBSA-N 2 1 298.387 -0.526 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC001352850794 891309419 /nfs/dbraw/zinc/30/94/19/891309419.db2.gz YDLKHMSCGHIIBB-DTWKUNHWSA-N 2 1 251.334 -0.094 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC001352862020 891313365 /nfs/dbraw/zinc/31/33/65/891313365.db2.gz LRCDQRIDPFUSIT-YNEHKIRRSA-N 2 1 268.405 -0.040 20 0 CBADMP C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449220133 913546135 /nfs/dbraw/zinc/54/61/35/913546135.db2.gz UWWPELOURPUSHC-NWDGAFQWSA-N 2 1 275.393 -0.930 20 0 CBADMP Cn1c[nH+]cc1CCn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC001352992347 891335375 /nfs/dbraw/zinc/33/53/75/891335375.db2.gz MSLZZSHUWLHGDJ-UHFFFAOYSA-N 2 1 286.343 -0.042 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H]1CC[NH+]1C ZINC001352985894 891337175 /nfs/dbraw/zinc/33/71/75/891337175.db2.gz MXGLPTPJDSORHZ-GRYCIOLGSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001352985894 891337196 /nfs/dbraw/zinc/33/71/96/891337196.db2.gz MXGLPTPJDSORHZ-GRYCIOLGSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@@H]1CC[N@H+]1C ZINC001352985894 891337214 /nfs/dbraw/zinc/33/72/14/891337214.db2.gz MXGLPTPJDSORHZ-GRYCIOLGSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)C1CC[NH2+]CC1 ZINC001352987080 891337509 /nfs/dbraw/zinc/33/75/09/891337509.db2.gz FOPKRHFHIDPNRH-DGCLKSJQSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1CC[NH2+]CC1 ZINC001352990425 891337609 /nfs/dbraw/zinc/33/76/09/891337609.db2.gz ZXKGOTWYDCDKSA-DGCLKSJQSA-N 2 1 266.389 -0.510 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H](C[NH3+])C1CC1 ZINC001353005413 891340217 /nfs/dbraw/zinc/34/02/17/891340217.db2.gz RTXNYBHEIFAFBQ-USWWRNFRSA-N 2 1 252.362 -0.772 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H](C[NH3+])C1CC1 ZINC001353005414 891342138 /nfs/dbraw/zinc/34/21/38/891342138.db2.gz RTXNYBHEIFAFBQ-YUSALJHKSA-N 2 1 252.362 -0.772 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001353071358 891355530 /nfs/dbraw/zinc/35/55/30/891355530.db2.gz ITEOZJJOFNUJHO-RYUDHWBXSA-N 2 1 267.373 -0.177 20 0 CBADMP C[NH+](C)CCCCC(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001353203219 891382629 /nfs/dbraw/zinc/38/26/29/891382629.db2.gz DGYWPPSCMBKDRE-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CN(C[C@H](O)C[N@H+](C)CCF)C(=O)[C@H]1CC[NH+](C)C1 ZINC001449240057 913552357 /nfs/dbraw/zinc/55/23/57/913552357.db2.gz HNXMCGJTGBHZLR-NWDGAFQWSA-N 2 1 275.368 -0.341 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)[C@H]1CC[NH+](C)C1 ZINC001449240057 913552367 /nfs/dbraw/zinc/55/23/67/913552367.db2.gz HNXMCGJTGBHZLR-NWDGAFQWSA-N 2 1 275.368 -0.341 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCF)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001449240057 913552389 /nfs/dbraw/zinc/55/23/89/913552389.db2.gz HNXMCGJTGBHZLR-NWDGAFQWSA-N 2 1 275.368 -0.341 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCF)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449240057 913552410 /nfs/dbraw/zinc/55/24/10/913552410.db2.gz HNXMCGJTGBHZLR-NWDGAFQWSA-N 2 1 275.368 -0.341 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC001353299302 891394608 /nfs/dbraw/zinc/39/46/08/891394608.db2.gz NCPDIJVKFYLCGD-YVECIDJPSA-N 2 1 294.399 -0.417 20 0 CBADMP [NH3+]CCCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001353423968 891426152 /nfs/dbraw/zinc/42/61/52/891426152.db2.gz FWZKTWYDVOPSMY-CHWSQXEVSA-N 2 1 284.404 -0.034 20 0 CBADMP CC(C)[C@H](CNC(=O)CNCC[NH3+])[NH+]1CCOCC1 ZINC001353468403 891431096 /nfs/dbraw/zinc/43/10/96/891431096.db2.gz BIKYULKXNBKPOT-LBPRGKRZSA-N 2 1 272.393 -0.992 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]([NH3+])C(C)(C)O)C[C@H](C)O1 ZINC001353469584 891431397 /nfs/dbraw/zinc/43/13/97/891431397.db2.gz RZSUDKUXUUZTMO-GRYCIOLGSA-N 2 1 287.404 -0.300 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)C1CC1 ZINC001353509128 891435851 /nfs/dbraw/zinc/43/58/51/891435851.db2.gz WPZWBAZREGLWNI-LBPRGKRZSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)[C@H](O)C[NH2+]C)C1 ZINC001353496714 891437699 /nfs/dbraw/zinc/43/76/99/891437699.db2.gz UBFDMMATGMINSI-IJLUTSLNSA-N 2 1 257.378 -0.339 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001353522131 891439742 /nfs/dbraw/zinc/43/97/42/891439742.db2.gz LWVYRAJSYLQAMW-XYPYZODXSA-N 2 1 258.366 -0.663 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC001353535921 891443272 /nfs/dbraw/zinc/44/32/72/891443272.db2.gz WUGPBKDPUIBFTL-NHCYSSNCSA-N 2 1 257.378 -0.198 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001353580631 891451089 /nfs/dbraw/zinc/45/10/89/891451089.db2.gz AMMGELCNRLRZHL-AWEZNQCLSA-N 2 1 297.447 -0.966 20 0 CBADMP C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001353653872 891455292 /nfs/dbraw/zinc/45/52/92/891455292.db2.gz FWPJVASSXXCEOC-HLTSFMKQSA-N 2 1 251.334 -0.160 20 0 CBADMP CC1(C)[NH2+]CC[C@H]1NC(=O)C[NH+]1CCC(CO)CC1 ZINC001353668778 891458290 /nfs/dbraw/zinc/45/82/90/891458290.db2.gz ZOSIOZXTPJPCKO-GFCCVEGCSA-N 2 1 269.389 -0.053 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001353729894 891467235 /nfs/dbraw/zinc/46/72/35/891467235.db2.gz VZVDOXCBHOOPFO-NDBYEHHHSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)N(CCN(C)CC(N)=O)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001449264774 913560869 /nfs/dbraw/zinc/56/08/69/913560869.db2.gz DAQVFPUPIDJMAY-ZDUSSCGKSA-N 2 1 298.431 -0.018 20 0 CBADMP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[NH+]1CCC(CO)CC1 ZINC001353928016 891488789 /nfs/dbraw/zinc/48/87/89/891488789.db2.gz FPKTURLVJCRBDT-VXGBXAGGSA-N 2 1 269.389 -0.067 20 0 CBADMP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)C[NH+]1CCC(CO)CC1 ZINC001353928014 891488853 /nfs/dbraw/zinc/48/88/53/891488853.db2.gz FPKTURLVJCRBDT-RYUDHWBXSA-N 2 1 269.389 -0.067 20 0 CBADMP C[C@H]([NH3+])CONC(=O)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC001354073686 891511560 /nfs/dbraw/zinc/51/15/60/891511560.db2.gz KVXRJJYLRVVJFP-YUMQZZPRSA-N 2 1 253.306 -0.505 20 0 CBADMP COc1ccccc1[C@@H]([NH3+])C(=O)NCC1(O)C[NH2+]C1 ZINC001354224024 891538777 /nfs/dbraw/zinc/53/87/77/891538777.db2.gz OZIRMGLBBISSHX-LLVKDONJSA-N 2 1 265.313 -0.855 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC001354329245 891565979 /nfs/dbraw/zinc/56/59/79/891565979.db2.gz DCTXPJIZSBCBCT-TUAOUCFPSA-N 2 1 255.362 -0.443 20 0 CBADMP [NH3+]C[C@@H](O)CC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001354343371 891568003 /nfs/dbraw/zinc/56/80/03/891568003.db2.gz OVLKUMNQUSYLNL-OLZOCXBDSA-N 2 1 269.389 -0.066 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC001354408956 891577078 /nfs/dbraw/zinc/57/70/78/891577078.db2.gz CGDGIHIBMFRJHI-NWDGAFQWSA-N 2 1 255.362 -0.036 20 0 CBADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001354580089 891595837 /nfs/dbraw/zinc/59/58/37/891595837.db2.gz GEXOIIRCYYDOST-OUAUKWLOSA-N 2 1 255.362 -0.220 20 0 CBADMP C[NH+](C)CC(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001354905366 891626905 /nfs/dbraw/zinc/62/69/05/891626905.db2.gz OZMGFVBVZFIAFT-CYBMUJFWSA-N 2 1 263.345 -0.455 20 0 CBADMP CN1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+](C)CC1 ZINC001355442337 891679560 /nfs/dbraw/zinc/67/95/60/891679560.db2.gz SCDJRAICODQGSU-TXEJJXNPSA-N 2 1 254.378 -0.571 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CCN2C)CC[N@@H+]1C ZINC001356311063 891746842 /nfs/dbraw/zinc/74/68/42/891746842.db2.gz KGXOWPIVHYHPOV-CHWSQXEVSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CCN2C)CC[N@H+]1C ZINC001356311063 891746850 /nfs/dbraw/zinc/74/68/50/891746850.db2.gz KGXOWPIVHYHPOV-CHWSQXEVSA-N 2 1 296.415 -0.395 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001356438055 891759108 /nfs/dbraw/zinc/75/91/08/891759108.db2.gz NIEKSCMBAVFCDA-QWRGUYRKSA-N 2 1 280.372 -0.663 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001356438063 891759321 /nfs/dbraw/zinc/75/93/21/891759321.db2.gz NIEKSCMBAVFCDA-WDEREUQCSA-N 2 1 280.372 -0.663 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001356438027 891760368 /nfs/dbraw/zinc/76/03/68/891760368.db2.gz NIEKSCMBAVFCDA-GHMZBOCLSA-N 2 1 280.372 -0.663 20 0 CBADMP CN1CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1=O ZINC001357165722 891855990 /nfs/dbraw/zinc/85/59/90/891855990.db2.gz HOFSEASGLOZDJG-PWSUYJOCSA-N 2 1 255.362 -0.348 20 0 CBADMP CN1CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC001357165722 891856001 /nfs/dbraw/zinc/85/60/01/891856001.db2.gz HOFSEASGLOZDJG-PWSUYJOCSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H]1C[N@H+](CCCCNC(=O)C[C@H](O)C[NH3+])C[C@H](C)O1 ZINC001357366149 891875942 /nfs/dbraw/zinc/87/59/42/891875942.db2.gz FFBYBGGFIIMTOU-XQQFMLRXSA-N 2 1 287.404 -0.298 20 0 CBADMP C[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H](O)C[NH2+]1 ZINC001357369009 891877485 /nfs/dbraw/zinc/87/74/85/891877485.db2.gz TUNKCQMBLPUZTD-KZVDOYCCSA-N 2 1 267.373 -0.158 20 0 CBADMP [NH3+][C@@H]1CCN(C(=O)NCCCCC[NH+]2CCNCC2)C1 ZINC001357591215 891916957 /nfs/dbraw/zinc/91/69/57/891916957.db2.gz RBGLTVXTCOOHCL-CYBMUJFWSA-N 2 1 283.420 -0.196 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C1 ZINC001357846943 891939899 /nfs/dbraw/zinc/93/98/99/891939899.db2.gz OQMYGHISXBTTOE-MNOVXSKESA-N 2 1 253.346 -0.425 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001357923856 891946229 /nfs/dbraw/zinc/94/62/29/891946229.db2.gz XKFOQZJKVIUIBJ-QWHCGFSZSA-N 2 1 284.404 -0.931 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001357969175 891953521 /nfs/dbraw/zinc/95/35/21/891953521.db2.gz IBKPMTMROTVKNU-FVCCEPFGSA-N 2 1 264.373 -0.663 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001358070635 891967463 /nfs/dbraw/zinc/96/74/63/891967463.db2.gz WUVUKVUNJNRILX-MROQNXINSA-N 2 1 266.389 -0.654 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[C@H]([NH3+])C1 ZINC001358129797 891974043 /nfs/dbraw/zinc/97/40/43/891974043.db2.gz FTVKEDYBMCTYML-GRYCIOLGSA-N 2 1 252.362 -0.676 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)c2cn(CCCC[NH3+])nn2)CC[N@H+]1C ZINC001358185323 891977681 /nfs/dbraw/zinc/97/76/81/891977681.db2.gz IUGBEGJYSHCPRS-MNOVXSKESA-N 2 1 280.376 -0.161 20 0 CBADMP C[C@@H](C(=O)N1NC(=O)CC12CC[NH2+]CC2)[NH+](C)C ZINC001358182919 891978153 /nfs/dbraw/zinc/97/81/53/891978153.db2.gz FLVSZVQFLUUSBQ-VIFPVBQESA-N 2 1 254.334 -0.678 20 0 CBADMP CN1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC[N@H+](C)CC1 ZINC001358443863 892009397 /nfs/dbraw/zinc/00/93/97/892009397.db2.gz FMCJHFYAXZYOJD-GFCCVEGCSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC[N@@H+](C)CC1 ZINC001358443863 892009416 /nfs/dbraw/zinc/00/94/16/892009416.db2.gz FMCJHFYAXZYOJD-GFCCVEGCSA-N 2 1 268.405 -0.310 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001362361158 892625097 /nfs/dbraw/zinc/62/50/97/892625097.db2.gz WZSPPUYYVXAPKJ-AAEUAGOBSA-N 2 1 275.368 -0.151 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001362361190 892625447 /nfs/dbraw/zinc/62/54/47/892625447.db2.gz WZSPPUYYVXAPKJ-YPMHNXCESA-N 2 1 275.368 -0.151 20 0 CBADMP O=C(CC[NH+]1CC[C@@H](F)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001362629235 892863277 /nfs/dbraw/zinc/86/32/77/892863277.db2.gz XVUOSLBIRRFTNJ-FRRDWIJNSA-N 2 1 285.363 -0.302 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC001362647744 892879035 /nfs/dbraw/zinc/87/90/35/892879035.db2.gz VXUDNSGPBXZRAV-DGCLKSJQSA-N 2 1 285.363 -0.302 20 0 CBADMP O=C(CC[NH+]1CC[C@@H](F)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001362647744 892879045 /nfs/dbraw/zinc/87/90/45/892879045.db2.gz VXUDNSGPBXZRAV-DGCLKSJQSA-N 2 1 285.363 -0.302 20 0 CBADMP O=C(CC[NH+]1CC[C@@H](F)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001362647744 892879066 /nfs/dbraw/zinc/87/90/66/892879066.db2.gz VXUDNSGPBXZRAV-DGCLKSJQSA-N 2 1 285.363 -0.302 20 0 CBADMP O=C(CC[N@@H+]1CC[C@@H](F)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001362647744 892879087 /nfs/dbraw/zinc/87/90/87/892879087.db2.gz VXUDNSGPBXZRAV-DGCLKSJQSA-N 2 1 285.363 -0.302 20 0 CBADMP C[C@@H](CC[NH+](C)C)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001362778969 893021933 /nfs/dbraw/zinc/02/19/33/893021933.db2.gz UTPDRESWHJDSLU-AAEUAGOBSA-N 2 1 273.377 -0.959 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21)[C@@H]1CCC[C@H]1O ZINC001362913923 893166387 /nfs/dbraw/zinc/16/63/87/893166387.db2.gz AZYHLAWAVGGASO-RFQIPJPRSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)[C@@H]1CCC[C@H]1O ZINC001362913923 893166395 /nfs/dbraw/zinc/16/63/95/893166395.db2.gz AZYHLAWAVGGASO-RFQIPJPRSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)[C@@H]1CCC[C@H]1O ZINC001362913923 893166405 /nfs/dbraw/zinc/16/64/05/893166405.db2.gz AZYHLAWAVGGASO-RFQIPJPRSA-N 2 1 281.400 -0.006 20 0 CBADMP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@H](CO)C[NH+]1CCCC1 ZINC001362963584 893208319 /nfs/dbraw/zinc/20/83/19/893208319.db2.gz UGIQTGSBLPGUAN-STQMWFEESA-N 2 1 287.379 -0.007 20 0 CBADMP CC[C@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001451092843 913771091 /nfs/dbraw/zinc/77/10/91/913771091.db2.gz RPZJSSJSWBRDNR-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC001363274898 893519506 /nfs/dbraw/zinc/51/95/06/893519506.db2.gz SGXRQZKTAGXRHV-ZFWWWQNUSA-N 2 1 299.415 -0.426 20 0 CBADMP CC(C)[N@H+]1CCC[C@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC001363274898 893519527 /nfs/dbraw/zinc/51/95/27/893519527.db2.gz SGXRQZKTAGXRHV-ZFWWWQNUSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001363489981 893730921 /nfs/dbraw/zinc/73/09/21/893730921.db2.gz KVUISDMNDXHYSN-ZFWWWQNUSA-N 2 1 297.399 -0.579 20 0 CBADMP C[NH+](C)C[C@]1(O)CCN(C(=O)CC[N@H+]2CC[C@@H](F)C2)C1 ZINC001363677685 893908868 /nfs/dbraw/zinc/90/88/68/893908868.db2.gz OVVLLEMGGSGNCJ-TZMCWYRMSA-N 2 1 287.379 -0.055 20 0 CBADMP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC([NH2+]C3COC3)C2)C1 ZINC001363777750 893981640 /nfs/dbraw/zinc/98/16/40/893981640.db2.gz PZTRUXGNKIOBQS-AWEZNQCLSA-N 2 1 283.372 -0.968 20 0 CBADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CC([NH2+]C3COC3)C2)C1 ZINC001363777750 893981650 /nfs/dbraw/zinc/98/16/50/893981650.db2.gz PZTRUXGNKIOBQS-AWEZNQCLSA-N 2 1 283.372 -0.968 20 0 CBADMP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)C(C)(C)O)CC1 ZINC001363792345 893996499 /nfs/dbraw/zinc/99/64/99/893996499.db2.gz WRVUXUYNYGAQOH-ZDUSSCGKSA-N 2 1 274.405 -0.103 20 0 CBADMP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)C(C)(C)O)CC1 ZINC001363792345 893996508 /nfs/dbraw/zinc/99/65/08/893996508.db2.gz WRVUXUYNYGAQOH-ZDUSSCGKSA-N 2 1 274.405 -0.103 20 0 CBADMP CN1CCN(CC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001364141749 894211262 /nfs/dbraw/zinc/21/12/62/894211262.db2.gz IXGPJFAZKNXEQK-AWEZNQCLSA-N 2 1 298.431 -0.803 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001364141749 894211277 /nfs/dbraw/zinc/21/12/77/894211277.db2.gz IXGPJFAZKNXEQK-AWEZNQCLSA-N 2 1 298.431 -0.803 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001364141749 894211296 /nfs/dbraw/zinc/21/12/96/894211296.db2.gz IXGPJFAZKNXEQK-AWEZNQCLSA-N 2 1 298.431 -0.803 20 0 CBADMP CN1CCN(CC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001364141751 894212868 /nfs/dbraw/zinc/21/28/68/894212868.db2.gz IXGPJFAZKNXEQK-CQSZACIVSA-N 2 1 298.431 -0.803 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001364141751 894212879 /nfs/dbraw/zinc/21/28/79/894212879.db2.gz IXGPJFAZKNXEQK-CQSZACIVSA-N 2 1 298.431 -0.803 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001364141751 894212891 /nfs/dbraw/zinc/21/28/91/894212891.db2.gz IXGPJFAZKNXEQK-CQSZACIVSA-N 2 1 298.431 -0.803 20 0 CBADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001364418095 894402614 /nfs/dbraw/zinc/40/26/14/894402614.db2.gz OOEVLTFWROZEQD-LSDHHAIUSA-N 2 1 285.432 -0.313 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CO)[C@@H]2CCCOC2)CC1 ZINC001364444700 894426165 /nfs/dbraw/zinc/42/61/65/894426165.db2.gz IVHPZVRTGJGCMZ-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001365833434 895132202 /nfs/dbraw/zinc/13/22/02/895132202.db2.gz PUCQYVGDAPDPNO-FDYHWXHSSA-N 2 1 296.415 -0.443 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001365854115 895136547 /nfs/dbraw/zinc/13/65/47/895136547.db2.gz XHQMSXQBVTZUEC-JHJVBQTASA-N 2 1 296.415 -0.301 20 0 CBADMP CC(C)[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001365954473 895150419 /nfs/dbraw/zinc/15/04/19/895150419.db2.gz DGWFJXZXHLAHTG-CQSZACIVSA-N 2 1 298.431 -0.541 20 0 CBADMP CC(C)[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001365954473 895150423 /nfs/dbraw/zinc/15/04/23/895150423.db2.gz DGWFJXZXHLAHTG-CQSZACIVSA-N 2 1 298.431 -0.541 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001365993656 895167069 /nfs/dbraw/zinc/16/70/69/895167069.db2.gz ASGDKUFWVHUKIA-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001365993656 895167075 /nfs/dbraw/zinc/16/70/75/895167075.db2.gz ASGDKUFWVHUKIA-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001365993656 895167081 /nfs/dbraw/zinc/16/70/81/895167081.db2.gz ASGDKUFWVHUKIA-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001365993656 895167088 /nfs/dbraw/zinc/16/70/88/895167088.db2.gz ASGDKUFWVHUKIA-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP O=C(Cc1cnc[nH]1)NC[C@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001366064989 895182455 /nfs/dbraw/zinc/18/24/55/895182455.db2.gz UMUWNNOMWHGUNN-NEPJUHHUSA-N 2 1 291.355 -0.675 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366072994 895182663 /nfs/dbraw/zinc/18/26/63/895182663.db2.gz DSVCPHXUJUVEJL-OLZOCXBDSA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001366072994 895182667 /nfs/dbraw/zinc/18/26/67/895182667.db2.gz DSVCPHXUJUVEJL-OLZOCXBDSA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001366072994 895182672 /nfs/dbraw/zinc/18/26/72/895182672.db2.gz DSVCPHXUJUVEJL-OLZOCXBDSA-N 2 1 296.415 -0.406 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001366097351 895188676 /nfs/dbraw/zinc/18/86/76/895188676.db2.gz GVMMOZGLSAARPR-RDBSUJKOSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001366105125 895191504 /nfs/dbraw/zinc/19/15/04/895191504.db2.gz RBKBODHWWSATFX-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001366104266 895191899 /nfs/dbraw/zinc/19/18/99/895191899.db2.gz KBAPQUQVEHKIGT-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001366149916 895208101 /nfs/dbraw/zinc/20/81/01/895208101.db2.gz MOHROVVGSWSLNX-OBPIAQAESA-N 2 1 296.415 -0.302 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001366166635 895215056 /nfs/dbraw/zinc/21/50/56/895215056.db2.gz DVVPTFQIQMPDLQ-UPJWGTAASA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001366358231 895288152 /nfs/dbraw/zinc/28/81/52/895288152.db2.gz NPFHODZCHQPVAA-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001366356908 895289829 /nfs/dbraw/zinc/28/98/29/895289829.db2.gz JJTOOHAJAWZHED-RYUDHWBXSA-N 2 1 280.376 -0.676 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001366392333 895309105 /nfs/dbraw/zinc/30/91/05/895309105.db2.gz PEISUICWVKVDGJ-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001366396144 895311000 /nfs/dbraw/zinc/31/10/00/895311000.db2.gz AWLWLJSOVDPENH-IJLUTSLNSA-N 2 1 282.388 -0.750 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(N)=O)CC[N@H+]1C ZINC001366462646 895327884 /nfs/dbraw/zinc/32/78/84/895327884.db2.gz GXKQHGIYVGAPRA-SDDRHHMPSA-N 2 1 284.404 -0.314 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001366471271 895328502 /nfs/dbraw/zinc/32/85/02/895328502.db2.gz HERBWNLZRAVULX-FRRDWIJNSA-N 2 1 287.404 -0.428 20 0 CBADMP CC[C@@H](C(N)=O)N(C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001366537285 895362567 /nfs/dbraw/zinc/36/25/67/895362567.db2.gz NZHCMXJDWUGCGE-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001366537285 895362589 /nfs/dbraw/zinc/36/25/89/895362589.db2.gz NZHCMXJDWUGCGE-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001366537285 895362599 /nfs/dbraw/zinc/36/25/99/895362599.db2.gz NZHCMXJDWUGCGE-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001366537285 895362611 /nfs/dbraw/zinc/36/26/11/895362611.db2.gz NZHCMXJDWUGCGE-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O)[NH+](C)C ZINC001366584624 895393822 /nfs/dbraw/zinc/39/38/22/895393822.db2.gz NAKZJEQQUXJHGE-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O)[NH+](C)C ZINC001366584624 895393836 /nfs/dbraw/zinc/39/38/36/895393836.db2.gz NAKZJEQQUXJHGE-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@H](O)COC ZINC001366639145 895416698 /nfs/dbraw/zinc/41/66/98/895416698.db2.gz FHJLGKHBMRGIKB-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@H](O)COC ZINC001366639145 895416708 /nfs/dbraw/zinc/41/67/08/895416708.db2.gz FHJLGKHBMRGIKB-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@H](O)COC ZINC001366639145 895416714 /nfs/dbraw/zinc/41/67/14/895416714.db2.gz FHJLGKHBMRGIKB-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001366768216 895454231 /nfs/dbraw/zinc/45/42/31/895454231.db2.gz NNRYQILQRMZXLV-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001366824434 895467376 /nfs/dbraw/zinc/46/73/76/895467376.db2.gz QZTZAKXSYSUNIO-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001366824434 895467383 /nfs/dbraw/zinc/46/73/83/895467383.db2.gz QZTZAKXSYSUNIO-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001366824434 895467390 /nfs/dbraw/zinc/46/73/90/895467390.db2.gz QZTZAKXSYSUNIO-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001366824434 895467394 /nfs/dbraw/zinc/46/73/94/895467394.db2.gz QZTZAKXSYSUNIO-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001366836606 895467556 /nfs/dbraw/zinc/46/75/56/895467556.db2.gz GUDCNUDTBDKZLF-GFCCVEGCSA-N 2 1 293.371 -0.495 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001366836606 895467562 /nfs/dbraw/zinc/46/75/62/895467562.db2.gz GUDCNUDTBDKZLF-GFCCVEGCSA-N 2 1 293.371 -0.495 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001366876033 895477063 /nfs/dbraw/zinc/47/70/63/895477063.db2.gz XFAMDXYWGAHOLU-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001366876033 895477069 /nfs/dbraw/zinc/47/70/69/895477069.db2.gz XFAMDXYWGAHOLU-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001366876033 895477076 /nfs/dbraw/zinc/47/70/76/895477076.db2.gz XFAMDXYWGAHOLU-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001366885909 895477642 /nfs/dbraw/zinc/47/76/42/895477642.db2.gz XOTRBDGWJQTWMF-JSGCOSHPSA-N 2 1 298.431 -0.162 20 0 CBADMP COC[C@H](O)CN1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001366937710 895495562 /nfs/dbraw/zinc/49/55/62/895495562.db2.gz APHAAJZSPMKMQQ-DGCLKSJQSA-N 2 1 285.388 -0.864 20 0 CBADMP CCN(C)C(=O)C[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001366979228 895514243 /nfs/dbraw/zinc/51/42/43/895514243.db2.gz WGJOMRWCLDEWAH-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001367034049 895543127 /nfs/dbraw/zinc/54/31/27/895543127.db2.gz LJKNPIZQYSKALB-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001367034049 895543136 /nfs/dbraw/zinc/54/31/36/895543136.db2.gz LJKNPIZQYSKALB-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+](CC(=O)NC1(C[NH2+]CC(N)=O)CCCC1)C1CCC1 ZINC001367158423 895578683 /nfs/dbraw/zinc/57/86/83/895578683.db2.gz RYQVJQIFBQLZNF-UHFFFAOYSA-N 2 1 296.415 -0.025 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)NC1CC1 ZINC001367281261 895601535 /nfs/dbraw/zinc/60/15/35/895601535.db2.gz AYORWSIKBKVYGR-NWDGAFQWSA-N 2 1 296.415 -0.441 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367280525 895602811 /nfs/dbraw/zinc/60/28/11/895602811.db2.gz AIYLUISJXJLLKZ-OLZOCXBDSA-N 2 1 298.431 -0.195 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367272180 895602959 /nfs/dbraw/zinc/60/29/59/895602959.db2.gz HQTXIINDMOJRGS-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001367324577 895617308 /nfs/dbraw/zinc/61/73/08/895617308.db2.gz PHIONRCZQFDMOJ-UHFFFAOYSA-N 2 1 284.404 -0.168 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367363487 895625678 /nfs/dbraw/zinc/62/56/78/895625678.db2.gz WDYGKTKIOJWDDB-NWDGAFQWSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001367363487 895625682 /nfs/dbraw/zinc/62/56/82/895625682.db2.gz WDYGKTKIOJWDDB-NWDGAFQWSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367406829 895632434 /nfs/dbraw/zinc/63/24/34/895632434.db2.gz QQLKTVLBASJIMM-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367406828 895632599 /nfs/dbraw/zinc/63/25/99/895632599.db2.gz QQLKTVLBASJIMM-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001367451830 895639916 /nfs/dbraw/zinc/63/99/16/895639916.db2.gz VIDCVEJIQDESLY-RYUDHWBXSA-N 2 1 284.404 -0.362 20 0 CBADMP CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001367486023 895641401 /nfs/dbraw/zinc/64/14/01/895641401.db2.gz NYBLDQFMTNGMKX-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001367509278 895647216 /nfs/dbraw/zinc/64/72/16/895647216.db2.gz FXDQPTKERRFXSH-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001367509278 895647220 /nfs/dbraw/zinc/64/72/20/895647220.db2.gz FXDQPTKERRFXSH-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367509278 895647223 /nfs/dbraw/zinc/64/72/23/895647223.db2.gz FXDQPTKERRFXSH-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001367509278 895647225 /nfs/dbraw/zinc/64/72/25/895647225.db2.gz FXDQPTKERRFXSH-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O ZINC001367547811 895663254 /nfs/dbraw/zinc/66/32/54/895663254.db2.gz OHSBRSQLMJCNRR-NSHDSACASA-N 2 1 272.393 -0.408 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O ZINC001367547811 895663259 /nfs/dbraw/zinc/66/32/59/895663259.db2.gz OHSBRSQLMJCNRR-NSHDSACASA-N 2 1 272.393 -0.408 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001367547811 895663266 /nfs/dbraw/zinc/66/32/66/895663266.db2.gz OHSBRSQLMJCNRR-NSHDSACASA-N 2 1 272.393 -0.408 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001367547811 895663271 /nfs/dbraw/zinc/66/32/71/895663271.db2.gz OHSBRSQLMJCNRR-NSHDSACASA-N 2 1 272.393 -0.408 20 0 CBADMP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001367588583 895687151 /nfs/dbraw/zinc/68/71/51/895687151.db2.gz XTDNZUVMHHFCRU-NEPJUHHUSA-N 2 1 295.387 -0.919 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001367662196 895728735 /nfs/dbraw/zinc/72/87/35/895728735.db2.gz FFMDEWYWGAKYEE-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001367662942 895732064 /nfs/dbraw/zinc/73/20/64/895732064.db2.gz VBGFSZBKDKSEHU-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367690339 895750552 /nfs/dbraw/zinc/75/05/52/895750552.db2.gz UDHIZCWVAHASRD-IJLUTSLNSA-N 2 1 273.377 -0.818 20 0 CBADMP CCN(CC)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367711112 895759141 /nfs/dbraw/zinc/75/91/41/895759141.db2.gz DVOLZKQCBDFTFW-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001367765556 895797652 /nfs/dbraw/zinc/79/76/52/895797652.db2.gz CDZYKDAYZOGIGR-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001367860071 895834414 /nfs/dbraw/zinc/83/44/14/895834414.db2.gz WKLQHQDXUPMSQU-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001367860071 895834419 /nfs/dbraw/zinc/83/44/19/895834419.db2.gz WKLQHQDXUPMSQU-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367860071 895834431 /nfs/dbraw/zinc/83/44/31/895834431.db2.gz WKLQHQDXUPMSQU-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367860071 895834441 /nfs/dbraw/zinc/83/44/41/895834441.db2.gz WKLQHQDXUPMSQU-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001367948543 895864393 /nfs/dbraw/zinc/86/43/93/895864393.db2.gz GUUMBGSWTGXILC-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001367948543 895864397 /nfs/dbraw/zinc/86/43/97/895864397.db2.gz GUUMBGSWTGXILC-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367948543 895864405 /nfs/dbraw/zinc/86/44/05/895864405.db2.gz GUUMBGSWTGXILC-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367948543 895864410 /nfs/dbraw/zinc/86/44/10/895864410.db2.gz GUUMBGSWTGXILC-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001367990776 895882187 /nfs/dbraw/zinc/88/21/87/895882187.db2.gz LRNSWEZUKPWVKR-VXGBXAGGSA-N 2 1 285.388 -0.674 20 0 CBADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001368009937 895887652 /nfs/dbraw/zinc/88/76/52/895887652.db2.gz ADKNLZRCYQYYNK-QWHCGFSZSA-N 2 1 299.415 -0.284 20 0 CBADMP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001368036333 895895120 /nfs/dbraw/zinc/89/51/20/895895120.db2.gz PXEXJFGYBSGMQI-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001368037292 895895410 /nfs/dbraw/zinc/89/54/10/895895410.db2.gz VFRRBXLKBNAYRX-NEPJUHHUSA-N 2 1 285.388 -0.816 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001368032002 895895462 /nfs/dbraw/zinc/89/54/62/895895462.db2.gz RQGWBRKMTFPBAN-UHFFFAOYSA-N 2 1 293.371 -0.270 20 0 CBADMP Cn1cc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001368037145 895897395 /nfs/dbraw/zinc/89/73/95/895897395.db2.gz SNWORNLMMAFRHJ-LLVKDONJSA-N 2 1 292.387 -0.495 20 0 CBADMP Cn1cc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC001368037145 895897399 /nfs/dbraw/zinc/89/73/99/895897399.db2.gz SNWORNLMMAFRHJ-LLVKDONJSA-N 2 1 292.387 -0.495 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001368111027 895914205 /nfs/dbraw/zinc/91/42/05/895914205.db2.gz RVTXOCLYUXMLEG-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001368172059 895929324 /nfs/dbraw/zinc/92/93/24/895929324.db2.gz FYVLQJAVCWISHS-BXUZGUMPSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001368172059 895929335 /nfs/dbraw/zinc/92/93/35/895929335.db2.gz FYVLQJAVCWISHS-BXUZGUMPSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001368255034 895942965 /nfs/dbraw/zinc/94/29/65/895942965.db2.gz ITPGTEZZLBWBTI-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001368255034 895942975 /nfs/dbraw/zinc/94/29/75/895942975.db2.gz ITPGTEZZLBWBTI-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001368255044 895945934 /nfs/dbraw/zinc/94/59/34/895945934.db2.gz ITPGTEZZLBWBTI-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001368255044 895945945 /nfs/dbraw/zinc/94/59/45/895945945.db2.gz ITPGTEZZLBWBTI-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001368259076 895950486 /nfs/dbraw/zinc/95/04/86/895950486.db2.gz JJDFGPSMXIJUGZ-JSGCOSHPSA-N 2 1 287.404 -0.738 20 0 CBADMP C[NH+]1CCC(C(=O)NCC2(O)C[NH+](CC3CC3)C2)CC1 ZINC001368304953 895972323 /nfs/dbraw/zinc/97/23/23/895972323.db2.gz BBNQLFIAVPUXPG-UHFFFAOYSA-N 2 1 281.400 -0.099 20 0 CBADMP CC(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001368531734 896030543 /nfs/dbraw/zinc/03/05/43/896030543.db2.gz ZIRJNQKGVSTQRB-ZIAGYGMSSA-N 2 1 299.415 -0.210 20 0 CBADMP CC(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001368531734 896030550 /nfs/dbraw/zinc/03/05/50/896030550.db2.gz ZIRJNQKGVSTQRB-ZIAGYGMSSA-N 2 1 299.415 -0.210 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001368568403 896037824 /nfs/dbraw/zinc/03/78/24/896037824.db2.gz WIQRQAHEHSAYNH-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001368568403 896037834 /nfs/dbraw/zinc/03/78/34/896037834.db2.gz WIQRQAHEHSAYNH-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001368568403 896037846 /nfs/dbraw/zinc/03/78/46/896037846.db2.gz WIQRQAHEHSAYNH-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001368612921 896045149 /nfs/dbraw/zinc/04/51/49/896045149.db2.gz LYBUDAHGSVCNSU-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001368612921 896045159 /nfs/dbraw/zinc/04/51/59/896045159.db2.gz LYBUDAHGSVCNSU-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001368609294 896045746 /nfs/dbraw/zinc/04/57/46/896045746.db2.gz RCCDOZNCXDJAAF-AVGNSLFASA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001368743715 896069544 /nfs/dbraw/zinc/06/95/44/896069544.db2.gz OJJRTKKHPFPIOX-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001368747127 896073774 /nfs/dbraw/zinc/07/37/74/896073774.db2.gz DXPQKMWAXOKPMK-STQMWFEESA-N 2 1 294.403 -0.286 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CC(N)=O ZINC001368809819 896086461 /nfs/dbraw/zinc/08/64/61/896086461.db2.gz JNBPHSWPSVMWQG-LBPRGKRZSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CC(N)=O ZINC001368809819 896086473 /nfs/dbraw/zinc/08/64/73/896086473.db2.gz JNBPHSWPSVMWQG-LBPRGKRZSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O ZINC001368809819 896086488 /nfs/dbraw/zinc/08/64/88/896086488.db2.gz JNBPHSWPSVMWQG-LBPRGKRZSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O ZINC001368809819 896086504 /nfs/dbraw/zinc/08/65/04/896086504.db2.gz JNBPHSWPSVMWQG-LBPRGKRZSA-N 2 1 284.404 -0.265 20 0 CBADMP COC[C@H](O)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001368815713 896086806 /nfs/dbraw/zinc/08/68/06/896086806.db2.gz KYXUTOSLOJWWES-NWINJMCUSA-N 2 1 299.415 -0.428 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001368823981 896091957 /nfs/dbraw/zinc/09/19/57/896091957.db2.gz RTTCFCCQSMSESF-UNXYVOJBSA-N 2 1 284.404 -0.314 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001368938004 896116475 /nfs/dbraw/zinc/11/64/75/896116475.db2.gz FESBAECYHMOIJE-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001368938004 896116476 /nfs/dbraw/zinc/11/64/76/896116476.db2.gz FESBAECYHMOIJE-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001368938004 896116478 /nfs/dbraw/zinc/11/64/78/896116478.db2.gz FESBAECYHMOIJE-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001368938004 896116479 /nfs/dbraw/zinc/11/64/79/896116479.db2.gz FESBAECYHMOIJE-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001368983392 896129583 /nfs/dbraw/zinc/12/95/83/896129583.db2.gz ZYPIISPSRXNAKR-DGCLKSJQSA-N 2 1 286.420 -0.245 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001368983392 896129591 /nfs/dbraw/zinc/12/95/91/896129591.db2.gz ZYPIISPSRXNAKR-DGCLKSJQSA-N 2 1 286.420 -0.245 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC(=O)N1CCC1 ZINC001368991765 896133338 /nfs/dbraw/zinc/13/33/38/896133338.db2.gz DPIFLOPDELATLP-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC(=O)N1CCC1 ZINC001368991765 896133339 /nfs/dbraw/zinc/13/33/39/896133339.db2.gz DPIFLOPDELATLP-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)CC(=O)N1CCC1 ZINC001368991765 896133342 /nfs/dbraw/zinc/13/33/42/896133342.db2.gz DPIFLOPDELATLP-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N1CCC1 ZINC001368991765 896133346 /nfs/dbraw/zinc/13/33/46/896133346.db2.gz DPIFLOPDELATLP-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](O)C[NH+]1CC([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001369101131 896153664 /nfs/dbraw/zinc/15/36/64/896153664.db2.gz QJUMCRVGFJTFLY-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001369192309 896167351 /nfs/dbraw/zinc/16/73/51/896167351.db2.gz KPKCLARNBDPIOR-JHJVBQTASA-N 2 1 298.431 -0.068 20 0 CBADMP NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001369182896 896167886 /nfs/dbraw/zinc/16/78/86/896167886.db2.gz VVSRBQOTXBWIAC-HUBLWGQQSA-N 2 1 294.399 -0.558 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H](C)O)C2)C1 ZINC001369186791 896168349 /nfs/dbraw/zinc/16/83/49/896168349.db2.gz SJLBTYKRHJSCDA-SYQHCUMBSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H](C)O)C2)C1 ZINC001369186791 896168358 /nfs/dbraw/zinc/16/83/58/896168358.db2.gz SJLBTYKRHJSCDA-SYQHCUMBSA-N 2 1 299.415 -0.428 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001369299847 896190431 /nfs/dbraw/zinc/19/04/31/896190431.db2.gz CGZFTDUUBCHLCR-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001369302755 896192830 /nfs/dbraw/zinc/19/28/30/896192830.db2.gz JSKFNRLKKJDKRU-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001369302755 896192833 /nfs/dbraw/zinc/19/28/33/896192833.db2.gz JSKFNRLKKJDKRU-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001369307444 896195582 /nfs/dbraw/zinc/19/55/82/896195582.db2.gz QVPQXTDMJQMUTO-STQMWFEESA-N 2 1 294.403 -0.334 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001369307565 896196553 /nfs/dbraw/zinc/19/65/53/896196553.db2.gz HTVYYJFRSQLLPU-STQMWFEESA-N 2 1 298.431 -0.006 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369312471 896203196 /nfs/dbraw/zinc/20/31/96/896203196.db2.gz ZUXICFUHZNKASH-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001369319390 896210161 /nfs/dbraw/zinc/21/01/61/896210161.db2.gz LGSDJLSAEACDQP-CHWSQXEVSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001369319390 896210170 /nfs/dbraw/zinc/21/01/70/896210170.db2.gz LGSDJLSAEACDQP-CHWSQXEVSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1nocc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001369319394 896210655 /nfs/dbraw/zinc/21/06/55/896210655.db2.gz LGSDJLSAEACDQP-QWHCGFSZSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1nocc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001369319394 896210671 /nfs/dbraw/zinc/21/06/71/896210671.db2.gz LGSDJLSAEACDQP-QWHCGFSZSA-N 2 1 296.371 -0.356 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001369349097 896233022 /nfs/dbraw/zinc/23/30/22/896233022.db2.gz WVAOCNGDECUVKK-VXGBXAGGSA-N 2 1 275.368 -0.103 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H]1C ZINC001369395231 896257149 /nfs/dbraw/zinc/25/71/49/896257149.db2.gz RUFAAQYLRIYMLR-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001369479450 896289464 /nfs/dbraw/zinc/28/94/64/896289464.db2.gz DXEYTOSCSKPPLP-DGCLKSJQSA-N 2 1 298.387 -0.365 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)CCO ZINC001369518343 896304498 /nfs/dbraw/zinc/30/44/98/896304498.db2.gz YNLNOVJMDWKVFW-GFCCVEGCSA-N 2 1 275.393 -0.930 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001369518343 896304515 /nfs/dbraw/zinc/30/45/15/896304515.db2.gz YNLNOVJMDWKVFW-GFCCVEGCSA-N 2 1 275.393 -0.930 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001369518343 896304526 /nfs/dbraw/zinc/30/45/26/896304526.db2.gz YNLNOVJMDWKVFW-GFCCVEGCSA-N 2 1 275.393 -0.930 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001369866813 896353819 /nfs/dbraw/zinc/35/38/19/896353819.db2.gz BXUODSYRNGDTFJ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001370045911 896389841 /nfs/dbraw/zinc/38/98/41/896389841.db2.gz OIVCSHFRTJEEEY-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001370045911 896389856 /nfs/dbraw/zinc/38/98/56/896389856.db2.gz OIVCSHFRTJEEEY-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001370045911 896389867 /nfs/dbraw/zinc/38/98/67/896389867.db2.gz OIVCSHFRTJEEEY-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001370045911 896389879 /nfs/dbraw/zinc/38/98/79/896389879.db2.gz OIVCSHFRTJEEEY-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001370031140 896391074 /nfs/dbraw/zinc/39/10/74/896391074.db2.gz HDORJGJTTVJZBB-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001370031140 896391092 /nfs/dbraw/zinc/39/10/92/896391092.db2.gz HDORJGJTTVJZBB-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001370031140 896391108 /nfs/dbraw/zinc/39/11/08/896391108.db2.gz HDORJGJTTVJZBB-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001370031140 896391125 /nfs/dbraw/zinc/39/11/25/896391125.db2.gz HDORJGJTTVJZBB-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001370230153 896413607 /nfs/dbraw/zinc/41/36/07/896413607.db2.gz VBIZRZXYQYGGKK-CMPLNLGQSA-N 2 1 282.388 -0.702 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001370565372 896441368 /nfs/dbraw/zinc/44/13/68/896441368.db2.gz ZZESWDAPABHHAL-CYDGBPFRSA-N 2 1 285.388 -0.818 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001370682214 896478186 /nfs/dbraw/zinc/47/81/86/896478186.db2.gz UZFHPLPUYDBXLX-TXEJJXNPSA-N 2 1 298.431 -0.053 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001370719275 896486912 /nfs/dbraw/zinc/48/69/12/896486912.db2.gz ZZESWDAPABHHAL-NDBYEHHHSA-N 2 1 285.388 -0.818 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001370772782 896496405 /nfs/dbraw/zinc/49/64/05/896496405.db2.gz JOZZKTSQXPBZON-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001371001102 896532583 /nfs/dbraw/zinc/53/25/83/896532583.db2.gz JAOKXNLFYQNYQM-DGTMBMJNSA-N 2 1 297.399 -0.866 20 0 CBADMP COC[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001371001102 896532589 /nfs/dbraw/zinc/53/25/89/896532589.db2.gz JAOKXNLFYQNYQM-DGTMBMJNSA-N 2 1 297.399 -0.866 20 0 CBADMP COC[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001371001102 896532595 /nfs/dbraw/zinc/53/25/95/896532595.db2.gz JAOKXNLFYQNYQM-DGTMBMJNSA-N 2 1 297.399 -0.866 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCCC1 ZINC001371144857 896554761 /nfs/dbraw/zinc/55/47/61/896554761.db2.gz WWLSNOQVWXRLTI-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCCC1 ZINC001371144853 896554911 /nfs/dbraw/zinc/55/49/11/896554911.db2.gz WWLSNOQVWXRLTI-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CCn1cncn1 ZINC001371213330 896577298 /nfs/dbraw/zinc/57/72/98/896577298.db2.gz QKJDPVAORHTJKA-GFCCVEGCSA-N 2 1 294.403 -0.143 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001371237476 896581771 /nfs/dbraw/zinc/58/17/71/896581771.db2.gz MHJARZGERBJUHG-YPMHNXCESA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001371361731 896597906 /nfs/dbraw/zinc/59/79/06/896597906.db2.gz GORGCPCHIYQSLF-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)NC ZINC001371412242 896605489 /nfs/dbraw/zinc/60/54/89/896605489.db2.gz WUWINNXGBSVVKR-WDEREUQCSA-N 2 1 272.393 -0.443 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001371411378 896607026 /nfs/dbraw/zinc/60/70/26/896607026.db2.gz UXRCJFUPCYXVNF-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)NC ZINC001371424414 896609859 /nfs/dbraw/zinc/60/98/59/896609859.db2.gz IBJIYAPOZZHYQM-WDEREUQCSA-N 2 1 272.393 -0.443 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001371539037 896633611 /nfs/dbraw/zinc/63/36/11/896633611.db2.gz PCYDQMZFJXAYEM-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001371572963 896637987 /nfs/dbraw/zinc/63/79/87/896637987.db2.gz WZOJFUGEALSIBT-RYUDHWBXSA-N 2 1 293.371 -0.497 20 0 CBADMP C[NH+](C)CCC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001371986903 896702474 /nfs/dbraw/zinc/70/24/74/896702474.db2.gz MIOQBVCZDCZZAM-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001371999937 896704482 /nfs/dbraw/zinc/70/44/82/896704482.db2.gz NUBPSKWDBLHHRR-STQMWFEESA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001371999937 896704491 /nfs/dbraw/zinc/70/44/91/896704491.db2.gz NUBPSKWDBLHHRR-STQMWFEESA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001372181170 896739140 /nfs/dbraw/zinc/73/91/40/896739140.db2.gz BHNQLUZHTFNQRU-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001372181170 896739156 /nfs/dbraw/zinc/73/91/56/896739156.db2.gz BHNQLUZHTFNQRU-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP CCN(C)C(=O)C[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001372291166 896768744 /nfs/dbraw/zinc/76/87/44/896768744.db2.gz ZJSVHYUVNTUSNK-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001372291166 896768748 /nfs/dbraw/zinc/76/87/48/896768748.db2.gz ZJSVHYUVNTUSNK-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001372291166 896768751 /nfs/dbraw/zinc/76/87/51/896768751.db2.gz ZJSVHYUVNTUSNK-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001372291166 896768756 /nfs/dbraw/zinc/76/87/56/896768756.db2.gz ZJSVHYUVNTUSNK-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H](C)C(N)=O ZINC001372396472 896784368 /nfs/dbraw/zinc/78/43/68/896784368.db2.gz MWKRVPVZLXDORC-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H](C)C(N)=O ZINC001372396472 896784373 /nfs/dbraw/zinc/78/43/73/896784373.db2.gz MWKRVPVZLXDORC-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@H](C)C(N)=O ZINC001372396472 896784379 /nfs/dbraw/zinc/78/43/79/896784379.db2.gz MWKRVPVZLXDORC-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@H](C)C(N)=O ZINC001372396472 896784381 /nfs/dbraw/zinc/78/43/81/896784381.db2.gz MWKRVPVZLXDORC-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC(N)=O ZINC001372459664 896787229 /nfs/dbraw/zinc/78/72/29/896787229.db2.gz FUONWJJFBLSFPP-LBPRGKRZSA-N 2 1 272.393 -0.504 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC(N)=O ZINC001372459664 896787232 /nfs/dbraw/zinc/78/72/32/896787232.db2.gz FUONWJJFBLSFPP-LBPRGKRZSA-N 2 1 272.393 -0.504 20 0 CBADMP CN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001372547405 896807886 /nfs/dbraw/zinc/80/78/86/896807886.db2.gz DQQPOECFDVMXQR-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001372614734 896824919 /nfs/dbraw/zinc/82/49/19/896824919.db2.gz UDQXZPPNIQIUNF-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC)CC[N@H+]1C ZINC001372942202 896909179 /nfs/dbraw/zinc/90/91/79/896909179.db2.gz PZNZUTFAMOMVAH-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001372994106 896920681 /nfs/dbraw/zinc/92/06/81/896920681.db2.gz TZIFJPQVVIJQKX-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1nnnn1C ZINC001372985480 896920749 /nfs/dbraw/zinc/92/07/49/896920749.db2.gz BLJPFQGBDXGHGI-GHMZBOCLSA-N 2 1 295.391 -0.729 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)c1nnnn1C ZINC001372985480 896920756 /nfs/dbraw/zinc/92/07/56/896920756.db2.gz BLJPFQGBDXGHGI-GHMZBOCLSA-N 2 1 295.391 -0.729 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001373159549 896949235 /nfs/dbraw/zinc/94/92/35/896949235.db2.gz OWPWTBVDKFIQDO-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373159549 896949245 /nfs/dbraw/zinc/94/92/45/896949245.db2.gz OWPWTBVDKFIQDO-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373159549 896949256 /nfs/dbraw/zinc/94/92/56/896949256.db2.gz OWPWTBVDKFIQDO-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001373195201 896955577 /nfs/dbraw/zinc/95/55/77/896955577.db2.gz KMHANBZHVARKJY-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373195201 896955585 /nfs/dbraw/zinc/95/55/85/896955585.db2.gz KMHANBZHVARKJY-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373195201 896955589 /nfs/dbraw/zinc/95/55/89/896955589.db2.gz KMHANBZHVARKJY-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001373311818 896974290 /nfs/dbraw/zinc/97/42/90/896974290.db2.gz KDLRQWBNJQLSSS-NWDGAFQWSA-N 2 1 282.388 -0.796 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001373311818 896974303 /nfs/dbraw/zinc/97/43/03/896974303.db2.gz KDLRQWBNJQLSSS-NWDGAFQWSA-N 2 1 282.388 -0.796 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001373311818 896974314 /nfs/dbraw/zinc/97/43/14/896974314.db2.gz KDLRQWBNJQLSSS-NWDGAFQWSA-N 2 1 282.388 -0.796 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001373370419 896987999 /nfs/dbraw/zinc/98/79/99/896987999.db2.gz VYTSFSXNPFMXLI-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001373370419 896988006 /nfs/dbraw/zinc/98/80/06/896988006.db2.gz VYTSFSXNPFMXLI-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001373370419 896988011 /nfs/dbraw/zinc/98/80/11/896988011.db2.gz VYTSFSXNPFMXLI-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001373530498 897043864 /nfs/dbraw/zinc/04/38/64/897043864.db2.gz GFTSJCSAYUHIOM-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)COC)[NH+](C)C ZINC001373577767 897056948 /nfs/dbraw/zinc/05/69/48/897056948.db2.gz HXWSTEZJIUOUBU-XDQVBPFNSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)COC)[NH+](C)C ZINC001373577767 897056962 /nfs/dbraw/zinc/05/69/62/897056962.db2.gz HXWSTEZJIUOUBU-XDQVBPFNSA-N 2 1 299.415 -0.381 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001373596256 897065349 /nfs/dbraw/zinc/06/53/49/897065349.db2.gz PXEWQWIHAZRAJD-JSGCOSHPSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001373596256 897065363 /nfs/dbraw/zinc/06/53/63/897065363.db2.gz PXEWQWIHAZRAJD-JSGCOSHPSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001373596256 897065374 /nfs/dbraw/zinc/06/53/74/897065374.db2.gz PXEWQWIHAZRAJD-JSGCOSHPSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001373593904 897066148 /nfs/dbraw/zinc/06/61/48/897066148.db2.gz IWNMIWWFROBICA-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001373601680 897065774 /nfs/dbraw/zinc/06/57/74/897065774.db2.gz STQISYOTYIEBRG-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001373601680 897065795 /nfs/dbraw/zinc/06/57/95/897065795.db2.gz STQISYOTYIEBRG-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001373593904 897066117 /nfs/dbraw/zinc/06/61/17/897066117.db2.gz IWNMIWWFROBICA-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001373593904 897066133 /nfs/dbraw/zinc/06/61/33/897066133.db2.gz IWNMIWWFROBICA-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001373593904 897066166 /nfs/dbraw/zinc/06/61/66/897066166.db2.gz IWNMIWWFROBICA-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)CC)C1)[NH+](C)C ZINC001373613953 897069050 /nfs/dbraw/zinc/06/90/50/897069050.db2.gz UPWFOKQZDYXFOB-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)CC)C1)[NH+](C)C ZINC001373613953 897069067 /nfs/dbraw/zinc/06/90/67/897069067.db2.gz UPWFOKQZDYXFOB-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001373612839 897070643 /nfs/dbraw/zinc/07/06/43/897070643.db2.gz AEMQUZWYCUVXNN-QWHCGFSZSA-N 2 1 296.371 -0.611 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001373612839 897070656 /nfs/dbraw/zinc/07/06/56/897070656.db2.gz AEMQUZWYCUVXNN-QWHCGFSZSA-N 2 1 296.371 -0.611 20 0 CBADMP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373678670 897094872 /nfs/dbraw/zinc/09/48/72/897094872.db2.gz FFNXTHRMLKVSKC-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373678670 897094887 /nfs/dbraw/zinc/09/48/87/897094887.db2.gz FFNXTHRMLKVSKC-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP C[C@@H]([NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCC1)C(N)=O ZINC001373842446 897130577 /nfs/dbraw/zinc/13/05/77/897130577.db2.gz LILPNNSILHPXKS-NEPJUHHUSA-N 2 1 296.415 -0.027 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001373830097 897131817 /nfs/dbraw/zinc/13/18/17/897131817.db2.gz HYYYKRLVXPAISY-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001373830097 897131824 /nfs/dbraw/zinc/13/18/24/897131824.db2.gz HYYYKRLVXPAISY-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1)C1CCC1 ZINC001373914064 897137762 /nfs/dbraw/zinc/13/77/62/897137762.db2.gz AHEZCIYMMBZUKE-HAQNSBGRSA-N 2 1 296.415 -0.027 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001373973132 897145574 /nfs/dbraw/zinc/14/55/74/897145574.db2.gz SYUDUSZVPNITCJ-LLVKDONJSA-N 2 1 270.377 -0.608 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001453700224 914131943 /nfs/dbraw/zinc/13/19/43/914131943.db2.gz DSXZFBLBTKZWQV-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001374111096 897171911 /nfs/dbraw/zinc/17/19/11/897171911.db2.gz WMKDLETUQHJKNJ-NSHDSACASA-N 2 1 295.387 -0.378 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)CC1 ZINC001374135577 897179338 /nfs/dbraw/zinc/17/93/38/897179338.db2.gz YKVNZGFLEZJPLF-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)CC1 ZINC001374135577 897179345 /nfs/dbraw/zinc/17/93/45/897179345.db2.gz YKVNZGFLEZJPLF-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001374210058 897190798 /nfs/dbraw/zinc/19/07/98/897190798.db2.gz YPLTVHHVWCUKRA-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)C[NH+](C)C1CCC1 ZINC001374500021 897243049 /nfs/dbraw/zinc/24/30/49/897243049.db2.gz RHVFZLQUUYVRQJ-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)C[NH+](C)C1CCC1 ZINC001374500021 897243061 /nfs/dbraw/zinc/24/30/61/897243061.db2.gz RHVFZLQUUYVRQJ-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)C[N@H+](C)C1CCC1 ZINC001374500021 897243075 /nfs/dbraw/zinc/24/30/75/897243075.db2.gz RHVFZLQUUYVRQJ-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001374500021 897243089 /nfs/dbraw/zinc/24/30/89/897243089.db2.gz RHVFZLQUUYVRQJ-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCCNC1=O)[NH+](C)C ZINC001374552603 897256157 /nfs/dbraw/zinc/25/61/57/897256157.db2.gz RGEWXAYUQZWVQX-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCCNC1=O)[NH+](C)C ZINC001374552603 897256169 /nfs/dbraw/zinc/25/61/69/897256169.db2.gz RGEWXAYUQZWVQX-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001374539333 897256363 /nfs/dbraw/zinc/25/63/63/897256363.db2.gz ZSYUNYPBDMCIPK-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001374539333 897256376 /nfs/dbraw/zinc/25/63/76/897256376.db2.gz ZSYUNYPBDMCIPK-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374539333 897256391 /nfs/dbraw/zinc/25/63/91/897256391.db2.gz ZSYUNYPBDMCIPK-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374539333 897256405 /nfs/dbraw/zinc/25/64/05/897256405.db2.gz ZSYUNYPBDMCIPK-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)c(C)o1 ZINC001374644046 897325089 /nfs/dbraw/zinc/32/50/89/897325089.db2.gz TYRMDXGFTZAXIX-LBPRGKRZSA-N 2 1 298.387 -0.190 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001374668190 897337378 /nfs/dbraw/zinc/33/73/78/897337378.db2.gz FCAFRCJEXGBVGV-YPMHNXCESA-N 2 1 296.371 -0.417 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001374668190 897337392 /nfs/dbraw/zinc/33/73/92/897337392.db2.gz FCAFRCJEXGBVGV-YPMHNXCESA-N 2 1 296.371 -0.417 20 0 CBADMP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)co1 ZINC001374679037 897342479 /nfs/dbraw/zinc/34/24/79/897342479.db2.gz WDMMHXVQGQAISV-WCQYABFASA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)co1 ZINC001374679037 897342494 /nfs/dbraw/zinc/34/24/94/897342494.db2.gz WDMMHXVQGQAISV-WCQYABFASA-N 2 1 296.371 -0.499 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001374871816 897414784 /nfs/dbraw/zinc/41/47/84/897414784.db2.gz BGCBNDBZECTSHE-NWDGAFQWSA-N 2 1 284.404 -0.301 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001374897400 897425801 /nfs/dbraw/zinc/42/58/01/897425801.db2.gz DGCQZYQNMGGYFT-AAEUAGOBSA-N 2 1 296.419 -0.004 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374933248 897438507 /nfs/dbraw/zinc/43/85/07/897438507.db2.gz GKFIHMXPSYQRJC-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374961925 897442998 /nfs/dbraw/zinc/44/29/98/897442998.db2.gz NXQHPMXLMGZOSS-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CCC[NH+](C)C ZINC001375096952 897473236 /nfs/dbraw/zinc/47/32/36/897473236.db2.gz VPGCESVYDYOQEW-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CCC[NH+](C)C ZINC001375096952 897473245 /nfs/dbraw/zinc/47/32/45/897473245.db2.gz VPGCESVYDYOQEW-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H]1CCN(C)C1=O ZINC001375144653 897481166 /nfs/dbraw/zinc/48/11/66/897481166.db2.gz BPAAXLUTBPZLOR-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001375144653 897481180 /nfs/dbraw/zinc/48/11/80/897481180.db2.gz BPAAXLUTBPZLOR-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001375144653 897481191 /nfs/dbraw/zinc/48/11/91/897481191.db2.gz BPAAXLUTBPZLOR-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001375405080 897537310 /nfs/dbraw/zinc/53/73/10/897537310.db2.gz SQTIWSCQZGGCNJ-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@H]([NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001375524109 897558839 /nfs/dbraw/zinc/55/88/39/897558839.db2.gz ZVDYQDKZVXRGFZ-RYUDHWBXSA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001375547632 897562103 /nfs/dbraw/zinc/56/21/03/897562103.db2.gz LLDMMSSZMYWGEA-GFCCVEGCSA-N 2 1 296.415 -0.027 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+][C@H]3CCCNC3=O)CC2)C1 ZINC001375546837 897564324 /nfs/dbraw/zinc/56/43/24/897564324.db2.gz ZLSWQZWHCPBKIV-NEPJUHHUSA-N 2 1 294.399 -0.545 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001375670812 897588004 /nfs/dbraw/zinc/58/80/04/897588004.db2.gz OTKFULULGQOLRK-AGIUHOORSA-N 2 1 296.415 -0.347 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001375670812 897588013 /nfs/dbraw/zinc/58/80/13/897588013.db2.gz OTKFULULGQOLRK-AGIUHOORSA-N 2 1 296.415 -0.347 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001375670812 897588030 /nfs/dbraw/zinc/58/80/30/897588030.db2.gz OTKFULULGQOLRK-AGIUHOORSA-N 2 1 296.415 -0.347 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001375670812 897588052 /nfs/dbraw/zinc/58/80/52/897588052.db2.gz OTKFULULGQOLRK-AGIUHOORSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001375750104 897602264 /nfs/dbraw/zinc/60/22/64/897602264.db2.gz UACCLVHEOYUORL-STQMWFEESA-N 2 1 296.415 -0.075 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001375856552 897615030 /nfs/dbraw/zinc/61/50/30/897615030.db2.gz UPUQBFSMOGTAOT-IUODEOHRSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001375856552 897615036 /nfs/dbraw/zinc/61/50/36/897615036.db2.gz UPUQBFSMOGTAOT-IUODEOHRSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001375856552 897615043 /nfs/dbraw/zinc/61/50/43/897615043.db2.gz UPUQBFSMOGTAOT-IUODEOHRSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001375856552 897615050 /nfs/dbraw/zinc/61/50/50/897615050.db2.gz UPUQBFSMOGTAOT-IUODEOHRSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001375896888 897618564 /nfs/dbraw/zinc/61/85/64/897618564.db2.gz NKPJCJYUSIUPFG-SWLSCSKDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376076753 897647772 /nfs/dbraw/zinc/64/77/72/897647772.db2.gz XGTKYILKSIIYRG-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376076753 897647782 /nfs/dbraw/zinc/64/77/82/897647782.db2.gz XGTKYILKSIIYRG-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCF)C2)C1 ZINC001376087604 897650574 /nfs/dbraw/zinc/65/05/74/897650574.db2.gz GVEMRGFUXWVVPV-DGCLKSJQSA-N 2 1 273.352 -0.539 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCF)C2)C1 ZINC001376087604 897650576 /nfs/dbraw/zinc/65/05/76/897650576.db2.gz GVEMRGFUXWVVPV-DGCLKSJQSA-N 2 1 273.352 -0.539 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CCF)C2)C1 ZINC001376087604 897650580 /nfs/dbraw/zinc/65/05/80/897650580.db2.gz GVEMRGFUXWVVPV-DGCLKSJQSA-N 2 1 273.352 -0.539 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)C1 ZINC001376087604 897650583 /nfs/dbraw/zinc/65/05/83/897650583.db2.gz GVEMRGFUXWVVPV-DGCLKSJQSA-N 2 1 273.352 -0.539 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCN2CC[NH+](CCCO)CC2)C1 ZINC001376104515 897652832 /nfs/dbraw/zinc/65/28/32/897652832.db2.gz NODHYIDVYRRBOO-AWEZNQCLSA-N 2 1 298.431 -0.946 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001376336366 897714666 /nfs/dbraw/zinc/71/46/66/897714666.db2.gz FIRNRASTXXJQSQ-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nncn2C)C1 ZINC001376398918 897722121 /nfs/dbraw/zinc/72/21/21/897722121.db2.gz HANDUYZSQUNLPK-HAQNSBGRSA-N 2 1 294.403 -0.106 20 0 CBADMP CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376418700 897730973 /nfs/dbraw/zinc/73/09/73/897730973.db2.gz RZJUGWOETVIYBM-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001376470628 897749681 /nfs/dbraw/zinc/74/96/81/897749681.db2.gz SZTSKTRCXFVJMW-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001376505591 897764721 /nfs/dbraw/zinc/76/47/21/897764721.db2.gz WQHKVTGUYJLORR-AWEZNQCLSA-N 2 1 285.388 -0.982 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001376505591 897764711 /nfs/dbraw/zinc/76/47/11/897764711.db2.gz WQHKVTGUYJLORR-AWEZNQCLSA-N 2 1 285.388 -0.982 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001376608487 897784855 /nfs/dbraw/zinc/78/48/55/897784855.db2.gz XZAJCDGRIWFIMO-LBPRGKRZSA-N 2 1 293.371 -0.352 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)N1CCC1 ZINC001376727978 897825734 /nfs/dbraw/zinc/82/57/34/897825734.db2.gz DQOOFDWMBXDETO-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CCn1cncn1 ZINC001376802133 897849686 /nfs/dbraw/zinc/84/96/86/897849686.db2.gz OXLCVKIHWBCWDD-STQMWFEESA-N 2 1 294.403 -0.286 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC001376839729 897863989 /nfs/dbraw/zinc/86/39/89/897863989.db2.gz ALWWQMNKUGPRRK-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001376839733 897864451 /nfs/dbraw/zinc/86/44/51/897864451.db2.gz ALWWQMNKUGPRRK-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001376845921 897869551 /nfs/dbraw/zinc/86/95/51/897869551.db2.gz GJECBSXDXWOZSV-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001376845921 897869557 /nfs/dbraw/zinc/86/95/57/897869557.db2.gz GJECBSXDXWOZSV-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001376885404 897880502 /nfs/dbraw/zinc/88/05/02/897880502.db2.gz RXIHGMRYZHWODE-WDEREUQCSA-N 2 1 280.376 -0.639 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376940270 897897047 /nfs/dbraw/zinc/89/70/47/897897047.db2.gz MCMSQRJZZQNGME-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001376960551 897899968 /nfs/dbraw/zinc/89/99/68/897899968.db2.gz VPKDSMMCMQRSIC-NSHDSACASA-N 2 1 279.344 -0.885 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376964519 897903610 /nfs/dbraw/zinc/90/36/10/897903610.db2.gz YGKXDTDMSWQOJO-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001377005716 897909380 /nfs/dbraw/zinc/90/93/80/897909380.db2.gz TYKNRIOSLHTZCX-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)N(C)C ZINC001377129366 897937333 /nfs/dbraw/zinc/93/73/33/897937333.db2.gz KHMVFRZZTJONTF-NSHDSACASA-N 2 1 270.377 -0.783 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001377130307 897942178 /nfs/dbraw/zinc/94/21/78/897942178.db2.gz NVTHYPLTZMZYHA-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001377130307 897942191 /nfs/dbraw/zinc/94/21/91/897942191.db2.gz NVTHYPLTZMZYHA-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001377130307 897942197 /nfs/dbraw/zinc/94/21/97/897942197.db2.gz NVTHYPLTZMZYHA-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001377130307 897942211 /nfs/dbraw/zinc/94/22/11/897942211.db2.gz NVTHYPLTZMZYHA-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001377235202 897980137 /nfs/dbraw/zinc/98/01/37/897980137.db2.gz AHMIECHBSGMKOT-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001377260130 897990072 /nfs/dbraw/zinc/99/00/72/897990072.db2.gz HYHWPLHJMINSEY-MNOVXSKESA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001377260130 897990075 /nfs/dbraw/zinc/99/00/75/897990075.db2.gz HYHWPLHJMINSEY-MNOVXSKESA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001377260130 897990078 /nfs/dbraw/zinc/99/00/78/897990078.db2.gz HYHWPLHJMINSEY-MNOVXSKESA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377260130 897990082 /nfs/dbraw/zinc/99/00/82/897990082.db2.gz HYHWPLHJMINSEY-MNOVXSKESA-N 2 1 270.377 -0.879 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCCNC1=O ZINC001377291435 897997182 /nfs/dbraw/zinc/99/71/82/897997182.db2.gz ICYKWZQESOUKTN-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCNC1=O ZINC001377291435 897997193 /nfs/dbraw/zinc/99/71/93/897997193.db2.gz ICYKWZQESOUKTN-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCCNC1=O ZINC001377291435 897997199 /nfs/dbraw/zinc/99/71/99/897997199.db2.gz ICYKWZQESOUKTN-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H](C)C(=O)N(C)C ZINC001377293560 898004743 /nfs/dbraw/zinc/00/47/43/898004743.db2.gz YRGCREOTIMZJRK-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H](C)C(=O)N(C)C ZINC001377293560 898004753 /nfs/dbraw/zinc/00/47/53/898004753.db2.gz YRGCREOTIMZJRK-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@H](C)C(=O)N(C)C ZINC001377293560 898004764 /nfs/dbraw/zinc/00/47/64/898004764.db2.gz YRGCREOTIMZJRK-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@H](C)C(=O)N(C)C ZINC001377293560 898004772 /nfs/dbraw/zinc/00/47/72/898004772.db2.gz YRGCREOTIMZJRK-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](CC)[C@H]1CCNC1=O)[NH+](C)C ZINC001377317905 898009375 /nfs/dbraw/zinc/00/93/75/898009375.db2.gz WHGFCPYWVAITRW-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CC(N)=O ZINC001377337344 898013939 /nfs/dbraw/zinc/01/39/39/898013939.db2.gz PVGGMFZCIMHPKL-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CC(N)=O ZINC001377337344 898013956 /nfs/dbraw/zinc/01/39/56/898013956.db2.gz PVGGMFZCIMHPKL-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)CC(N)=O ZINC001377337344 898013967 /nfs/dbraw/zinc/01/39/67/898013967.db2.gz PVGGMFZCIMHPKL-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)CC(N)=O ZINC001377337344 898013979 /nfs/dbraw/zinc/01/39/79/898013979.db2.gz PVGGMFZCIMHPKL-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001377359058 898020566 /nfs/dbraw/zinc/02/05/66/898020566.db2.gz ZPYRCWFHLXLVDH-QWHCGFSZSA-N 2 1 299.415 -0.738 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001377414077 898039468 /nfs/dbraw/zinc/03/94/68/898039468.db2.gz GGXUSQZUXRUPGB-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001377589107 898098380 /nfs/dbraw/zinc/09/83/80/898098380.db2.gz HOLKWQXSMCLVJQ-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001377645053 898107979 /nfs/dbraw/zinc/10/79/79/898107979.db2.gz ZHPXMNBXCPBOQG-OCCSQVGLSA-N 2 1 298.431 -0.019 20 0 CBADMP COCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001377680433 898114858 /nfs/dbraw/zinc/11/48/58/898114858.db2.gz WLNVSQYKISMMBJ-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001377680433 898114861 /nfs/dbraw/zinc/11/48/61/898114861.db2.gz WLNVSQYKISMMBJ-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CC[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001377680433 898114867 /nfs/dbraw/zinc/11/48/67/898114867.db2.gz WLNVSQYKISMMBJ-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001377680433 898114871 /nfs/dbraw/zinc/11/48/71/898114871.db2.gz WLNVSQYKISMMBJ-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001377681144 898114893 /nfs/dbraw/zinc/11/48/93/898114893.db2.gz VRNUJBVUDBSQDA-GFCCVEGCSA-N 2 1 282.388 -0.510 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001377681144 898114900 /nfs/dbraw/zinc/11/49/00/898114900.db2.gz VRNUJBVUDBSQDA-GFCCVEGCSA-N 2 1 282.388 -0.510 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C[N@H+](C)CCO)C1 ZINC001377762291 898133643 /nfs/dbraw/zinc/13/36/43/898133643.db2.gz JOPHDMUTRRYMRB-ZDUSSCGKSA-N 2 1 280.372 -0.036 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1 ZINC001377762291 898133648 /nfs/dbraw/zinc/13/36/48/898133648.db2.gz JOPHDMUTRRYMRB-ZDUSSCGKSA-N 2 1 280.372 -0.036 20 0 CBADMP C[C@H](CC[NH+](C)C)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001454575476 914230193 /nfs/dbraw/zinc/23/01/93/914230193.db2.gz GDYRTCBTNWHNFA-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001378116383 898239101 /nfs/dbraw/zinc/23/91/01/898239101.db2.gz SAKOAPNQWXAIOI-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001378116383 898239117 /nfs/dbraw/zinc/23/91/17/898239117.db2.gz SAKOAPNQWXAIOI-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378168264 898260313 /nfs/dbraw/zinc/26/03/13/898260313.db2.gz YDORHTWBBKJYJI-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378168264 898260324 /nfs/dbraw/zinc/26/03/24/898260324.db2.gz YDORHTWBBKJYJI-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001378207520 898276286 /nfs/dbraw/zinc/27/62/86/898276286.db2.gz WYFMCLCIBMUDGZ-RYUDHWBXSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001378207520 898276301 /nfs/dbraw/zinc/27/63/01/898276301.db2.gz WYFMCLCIBMUDGZ-RYUDHWBXSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001378207520 898276316 /nfs/dbraw/zinc/27/63/16/898276316.db2.gz WYFMCLCIBMUDGZ-RYUDHWBXSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001378207520 898276333 /nfs/dbraw/zinc/27/63/33/898276333.db2.gz WYFMCLCIBMUDGZ-RYUDHWBXSA-N 2 1 284.404 -0.267 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001378209985 898276800 /nfs/dbraw/zinc/27/68/00/898276800.db2.gz YJCJGRDHNSPMFZ-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001378209985 898276818 /nfs/dbraw/zinc/27/68/18/898276818.db2.gz YJCJGRDHNSPMFZ-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC(=O)N1CCC1 ZINC001378227547 898281024 /nfs/dbraw/zinc/28/10/24/898281024.db2.gz HJPDDCZPYRMFTM-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC(=O)N1CCC1 ZINC001378227547 898281040 /nfs/dbraw/zinc/28/10/40/898281040.db2.gz HJPDDCZPYRMFTM-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N1CCC1 ZINC001378227547 898281052 /nfs/dbraw/zinc/28/10/52/898281052.db2.gz HJPDDCZPYRMFTM-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N1CCC1 ZINC001378227547 898281067 /nfs/dbraw/zinc/28/10/67/898281067.db2.gz HJPDDCZPYRMFTM-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001378291364 898304605 /nfs/dbraw/zinc/30/46/05/898304605.db2.gz ALECAXUGVMXXEG-CHWSQXEVSA-N 2 1 294.403 -0.143 20 0 CBADMP CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@H]1CCNC1=O ZINC001378333585 898314833 /nfs/dbraw/zinc/31/48/33/898314833.db2.gz DLEQXUWLBMDQON-NEPJUHHUSA-N 2 1 284.404 -0.301 20 0 CBADMP CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@@H]1CCNC1=O ZINC001378333600 898317608 /nfs/dbraw/zinc/31/76/08/898317608.db2.gz DLEQXUWLBMDQON-VXGBXAGGSA-N 2 1 284.404 -0.301 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)[NH2+]CCO ZINC001378333801 898317425 /nfs/dbraw/zinc/31/74/25/898317425.db2.gz DRXRIOKEMZPZPQ-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)[NH2+]CCO ZINC001378333801 898317439 /nfs/dbraw/zinc/31/74/39/898317439.db2.gz DRXRIOKEMZPZPQ-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1)C(N)=O ZINC001378383703 898323668 /nfs/dbraw/zinc/32/36/68/898323668.db2.gz SAKXKRRYSPXECB-VXGBXAGGSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1 ZINC001378382262 898325881 /nfs/dbraw/zinc/32/58/81/898325881.db2.gz JQXOMMINQDHRFB-NSHDSACASA-N 2 1 282.388 -0.558 20 0 CBADMP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001378429183 898329284 /nfs/dbraw/zinc/32/92/84/898329284.db2.gz IBRNEYHISYDTIA-XHDPSFHLSA-N 2 1 296.415 -0.441 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001378569826 898355077 /nfs/dbraw/zinc/35/50/77/898355077.db2.gz LXBUIMCNEJNEQT-OLZOCXBDSA-N 2 1 298.431 -0.066 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001378569847 898355137 /nfs/dbraw/zinc/35/51/37/898355137.db2.gz LXBUIMCNEJNEQT-STQMWFEESA-N 2 1 298.431 -0.066 20 0 CBADMP C[NH+](C)CCC(=O)NC1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001378701523 898394491 /nfs/dbraw/zinc/39/44/91/898394491.db2.gz SBPLMYBOQIRQEP-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP COC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001378828197 898419714 /nfs/dbraw/zinc/41/97/14/898419714.db2.gz IOBIJBXVUZXJSN-XDQVBPFNSA-N 2 1 299.415 -0.164 20 0 CBADMP COC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001378828197 898419722 /nfs/dbraw/zinc/41/97/22/898419722.db2.gz IOBIJBXVUZXJSN-XDQVBPFNSA-N 2 1 299.415 -0.164 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1nnnn1C ZINC001378854075 898423225 /nfs/dbraw/zinc/42/32/25/898423225.db2.gz CRACQYHLSXKARW-LLVKDONJSA-N 2 1 297.407 -0.513 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1nnnn1C ZINC001378854075 898423230 /nfs/dbraw/zinc/42/32/30/898423230.db2.gz CRACQYHLSXKARW-LLVKDONJSA-N 2 1 297.407 -0.513 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001378854077 898423350 /nfs/dbraw/zinc/42/33/50/898423350.db2.gz CRACQYHLSXKARW-NSHDSACASA-N 2 1 297.407 -0.513 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001378854077 898423360 /nfs/dbraw/zinc/42/33/60/898423360.db2.gz CRACQYHLSXKARW-NSHDSACASA-N 2 1 297.407 -0.513 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001378862020 898428120 /nfs/dbraw/zinc/42/81/20/898428120.db2.gz VKEYQEKQGRLORY-STQMWFEESA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)C[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001378922304 898431047 /nfs/dbraw/zinc/43/10/47/898431047.db2.gz KJJVHQHUXQWEEZ-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001379134322 898474668 /nfs/dbraw/zinc/47/46/68/898474668.db2.gz JFCOEEBOPHQNMQ-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001379193363 898496764 /nfs/dbraw/zinc/49/67/64/898496764.db2.gz VTBQVDXBYHEMDW-YPMHNXCESA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001379223465 898513281 /nfs/dbraw/zinc/51/32/81/898513281.db2.gz BOVVIETUJMTEQK-PWSUYJOCSA-N 2 1 284.360 -0.707 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001379285703 898534258 /nfs/dbraw/zinc/53/42/58/898534258.db2.gz QCDYDTMXEQYAID-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cccn1 ZINC001379375612 898587489 /nfs/dbraw/zinc/58/74/89/898587489.db2.gz VPJRAFKHAOTVGX-QWHCGFSZSA-N 2 1 295.387 -0.956 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001379387823 898594267 /nfs/dbraw/zinc/59/42/67/898594267.db2.gz JMMNLDOPVAGQQV-SNVBAGLBSA-N 2 1 281.360 -0.626 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001379449051 898617569 /nfs/dbraw/zinc/61/75/69/898617569.db2.gz LNUJBZYBABTOCR-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC001379466583 898624244 /nfs/dbraw/zinc/62/42/44/898624244.db2.gz OVXQDDFFPDCYCD-UONOGXRCSA-N 2 1 292.383 -0.258 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC001379466583 898624251 /nfs/dbraw/zinc/62/42/51/898624251.db2.gz OVXQDDFFPDCYCD-UONOGXRCSA-N 2 1 292.383 -0.258 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001379465593 898624534 /nfs/dbraw/zinc/62/45/34/898624534.db2.gz KGLOADPUEBIBEC-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001379475341 898629947 /nfs/dbraw/zinc/62/99/47/898629947.db2.gz GTBHQHFJEZTOBL-AAEUAGOBSA-N 2 1 298.387 -0.110 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]C[C@H](C)O ZINC001379479311 898632949 /nfs/dbraw/zinc/63/29/49/898632949.db2.gz BXRLTSCHYBZIOP-NWDGAFQWSA-N 2 1 298.387 -0.546 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001379489274 898635954 /nfs/dbraw/zinc/63/59/54/898635954.db2.gz FFMDEWYWGAKYEE-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001379518057 898655574 /nfs/dbraw/zinc/65/55/74/898655574.db2.gz YJRBRXCLGAINLB-QWRGUYRKSA-N 2 1 284.404 -0.301 20 0 CBADMP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001379554169 898664945 /nfs/dbraw/zinc/66/49/45/898664945.db2.gz SDEUEIQJBUUICP-UWVGGRQHSA-N 2 1 283.380 -0.855 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001379563606 898668656 /nfs/dbraw/zinc/66/86/56/898668656.db2.gz IHINKFRBUXDIDT-WDEREUQCSA-N 2 1 295.387 -0.060 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC ZINC001379598214 898678964 /nfs/dbraw/zinc/67/89/64/898678964.db2.gz JWGYPFPTPFFRMM-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CC(N)=O ZINC001379653339 898695731 /nfs/dbraw/zinc/69/57/31/898695731.db2.gz IOKGYOPPAJDGDM-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1CC(N)=O ZINC001379653339 898695740 /nfs/dbraw/zinc/69/57/40/898695740.db2.gz IOKGYOPPAJDGDM-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001379672780 898699145 /nfs/dbraw/zinc/69/91/45/898699145.db2.gz SLDBCSMXKTVQAP-YNEHKIRRSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001379672780 898699155 /nfs/dbraw/zinc/69/91/55/898699155.db2.gz SLDBCSMXKTVQAP-YNEHKIRRSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379672780 898699166 /nfs/dbraw/zinc/69/91/66/898699166.db2.gz SLDBCSMXKTVQAP-YNEHKIRRSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379672780 898699175 /nfs/dbraw/zinc/69/91/75/898699175.db2.gz SLDBCSMXKTVQAP-YNEHKIRRSA-N 2 1 298.431 -0.149 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379760087 898725787 /nfs/dbraw/zinc/72/57/87/898725787.db2.gz CTPCERIRAKHSGI-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP Cc1cc(C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C)no1 ZINC001379820464 898738391 /nfs/dbraw/zinc/73/83/91/898738391.db2.gz JRIPHPSIQBMPHA-ZDUSSCGKSA-N 2 1 298.387 -0.156 20 0 CBADMP Cc1nonc1C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001379836288 898738804 /nfs/dbraw/zinc/73/88/04/898738804.db2.gz JQJXPODWDPSNDO-NSHDSACASA-N 2 1 299.375 -0.761 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)C[NH+]1CCCC1 ZINC001379970087 898778116 /nfs/dbraw/zinc/77/81/16/898778116.db2.gz KSPWBHGEUCDYGY-CYBMUJFWSA-N 2 1 287.404 -0.784 20 0 CBADMP CC[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001380070895 898798308 /nfs/dbraw/zinc/79/83/08/898798308.db2.gz YDMVEKCGXMYNIB-QWRGUYRKSA-N 2 1 282.388 -0.417 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001380087502 898805279 /nfs/dbraw/zinc/80/52/79/898805279.db2.gz CYNZJEWZJFGPAU-NEPJUHHUSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001380285884 898850297 /nfs/dbraw/zinc/85/02/97/898850297.db2.gz RFEPRVKXDZSNKU-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001380332710 898854595 /nfs/dbraw/zinc/85/45/95/898854595.db2.gz JOXIFOXRLXZJKG-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001380332710 898854606 /nfs/dbraw/zinc/85/46/06/898854606.db2.gz JOXIFOXRLXZJKG-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001380332710 898854618 /nfs/dbraw/zinc/85/46/18/898854618.db2.gz JOXIFOXRLXZJKG-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001380332710 898854626 /nfs/dbraw/zinc/85/46/26/898854626.db2.gz JOXIFOXRLXZJKG-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380353366 898860041 /nfs/dbraw/zinc/86/00/41/898860041.db2.gz HXSCIYWDDYUWHD-OAHLLOKOSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380353366 898860050 /nfs/dbraw/zinc/86/00/50/898860050.db2.gz HXSCIYWDDYUWHD-OAHLLOKOSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380362542 898861685 /nfs/dbraw/zinc/86/16/85/898861685.db2.gz VNSLQZNLRBKVKI-ZWNOBZJWSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380362542 898861696 /nfs/dbraw/zinc/86/16/96/898861696.db2.gz VNSLQZNLRBKVKI-ZWNOBZJWSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380350092 898863656 /nfs/dbraw/zinc/86/36/56/898863656.db2.gz CREYYEZIRGNODQ-IUODEOHRSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CC(=O)NC)C1 ZINC001380376850 898871249 /nfs/dbraw/zinc/87/12/49/898871249.db2.gz HNNIXIILCPOHHW-CQSZACIVSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CC(=O)NC)C1 ZINC001380376850 898871252 /nfs/dbraw/zinc/87/12/52/898871252.db2.gz HNNIXIILCPOHHW-CQSZACIVSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC(=O)NC)C1 ZINC001380376850 898871260 /nfs/dbraw/zinc/87/12/60/898871260.db2.gz HNNIXIILCPOHHW-CQSZACIVSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC)C1 ZINC001380376850 898871268 /nfs/dbraw/zinc/87/12/68/898871268.db2.gz HNNIXIILCPOHHW-CQSZACIVSA-N 2 1 284.404 -0.345 20 0 CBADMP COC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380552931 898897222 /nfs/dbraw/zinc/89/72/22/898897222.db2.gz MBUOCANPHHEXSY-TZMCWYRMSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001380703527 898937995 /nfs/dbraw/zinc/93/79/95/898937995.db2.gz KLFRYECOKXPMIC-RWMBFGLXSA-N 2 1 296.415 -0.408 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001380703527 898938004 /nfs/dbraw/zinc/93/80/04/898938004.db2.gz KLFRYECOKXPMIC-RWMBFGLXSA-N 2 1 296.415 -0.408 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001380703527 898938016 /nfs/dbraw/zinc/93/80/16/898938016.db2.gz KLFRYECOKXPMIC-RWMBFGLXSA-N 2 1 296.415 -0.408 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001380704307 898938256 /nfs/dbraw/zinc/93/82/56/898938256.db2.gz NCHWYHFAWHSFDB-XQQFMLRXSA-N 2 1 294.399 -0.783 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC001380908158 898969033 /nfs/dbraw/zinc/96/90/33/898969033.db2.gz CEZFCPROHULDAO-OLZOCXBDSA-N 2 1 296.371 -0.611 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1)C1CCC1 ZINC001380929222 898972407 /nfs/dbraw/zinc/97/24/07/898972407.db2.gz IWCZOKGNDZYCJJ-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1)C1CCC1 ZINC001380929222 898972412 /nfs/dbraw/zinc/97/24/12/898972412.db2.gz IWCZOKGNDZYCJJ-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1)C1CCC1 ZINC001380929222 898972422 /nfs/dbraw/zinc/97/24/22/898972422.db2.gz IWCZOKGNDZYCJJ-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP CNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001381116300 898998801 /nfs/dbraw/zinc/99/88/01/898998801.db2.gz LSBNJNYSFBLXNV-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001381131424 899001742 /nfs/dbraw/zinc/00/17/42/899001742.db2.gz RJBCXPONNWHOTN-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001381277583 899023377 /nfs/dbraw/zinc/02/33/77/899023377.db2.gz DUVFWQWJQWHRHI-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001381297684 899025270 /nfs/dbraw/zinc/02/52/70/899025270.db2.gz JYWQLRUWQXPSPG-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001381297684 899025282 /nfs/dbraw/zinc/02/52/82/899025282.db2.gz JYWQLRUWQXPSPG-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001381304482 899026510 /nfs/dbraw/zinc/02/65/10/899026510.db2.gz WTOWAGKJDDJKAL-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001381449027 899053569 /nfs/dbraw/zinc/05/35/69/899053569.db2.gz XYHRIGJBJUZEJF-GHMZBOCLSA-N 2 1 297.407 -0.465 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001381449027 899053582 /nfs/dbraw/zinc/05/35/82/899053582.db2.gz XYHRIGJBJUZEJF-GHMZBOCLSA-N 2 1 297.407 -0.465 20 0 CBADMP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001381484258 899061284 /nfs/dbraw/zinc/06/12/84/899061284.db2.gz IYOZQOOSAZNDQO-LLVKDONJSA-N 2 1 284.404 -0.502 20 0 CBADMP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[N@H+](C)[C@@H](C)C(N)=O ZINC001381538582 899075929 /nfs/dbraw/zinc/07/59/29/899075929.db2.gz FSDYZGKWUZWAMP-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[N@@H+](C)[C@@H](C)C(N)=O ZINC001381538582 899075937 /nfs/dbraw/zinc/07/59/37/899075937.db2.gz FSDYZGKWUZWAMP-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001381618507 899096135 /nfs/dbraw/zinc/09/61/35/899096135.db2.gz KEHSYLSSUJUKBK-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001381618507 899096150 /nfs/dbraw/zinc/09/61/50/899096150.db2.gz KEHSYLSSUJUKBK-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001381618507 899096164 /nfs/dbraw/zinc/09/61/64/899096164.db2.gz KEHSYLSSUJUKBK-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001381618507 899096178 /nfs/dbraw/zinc/09/61/78/899096178.db2.gz KEHSYLSSUJUKBK-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001381801718 899114642 /nfs/dbraw/zinc/11/46/42/899114642.db2.gz HJAOXBAVFYFHNL-YPMHNXCESA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001381932534 899130254 /nfs/dbraw/zinc/13/02/54/899130254.db2.gz VYSYOOVYVWUCCL-XYYAHUGASA-N 2 1 294.399 -0.878 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001381973002 899137189 /nfs/dbraw/zinc/13/71/89/899137189.db2.gz QRGUHURNIOSQAK-JOCQHMNTSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001381961847 899137711 /nfs/dbraw/zinc/13/77/11/899137711.db2.gz POVOEUJWKNDSGJ-FDYHWXHSSA-N 2 1 296.415 -0.443 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001381998109 899140176 /nfs/dbraw/zinc/14/01/76/899140176.db2.gz RNIPVNYCTGKVDN-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001382161901 899166370 /nfs/dbraw/zinc/16/63/70/899166370.db2.gz MLMDNKLSTCMCHI-NSHDSACASA-N 2 1 295.387 -0.284 20 0 CBADMP Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001382238081 899201401 /nfs/dbraw/zinc/20/14/01/899201401.db2.gz BFJHVWWFWSTWTE-DGCLKSJQSA-N 2 1 295.387 -0.919 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC1CCOCC1 ZINC001382254738 899215119 /nfs/dbraw/zinc/21/51/19/899215119.db2.gz YZHDSNJAJZPSCQ-ZIAGYGMSSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001382450998 899303559 /nfs/dbraw/zinc/30/35/59/899303559.db2.gz OBRQHFZORBFXFM-NWDGAFQWSA-N 2 1 273.377 -0.912 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001382450998 899303572 /nfs/dbraw/zinc/30/35/72/899303572.db2.gz OBRQHFZORBFXFM-NWDGAFQWSA-N 2 1 273.377 -0.912 20 0 CBADMP CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001382450998 899303585 /nfs/dbraw/zinc/30/35/85/899303585.db2.gz OBRQHFZORBFXFM-NWDGAFQWSA-N 2 1 273.377 -0.912 20 0 CBADMP CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001382450998 899303596 /nfs/dbraw/zinc/30/35/96/899303596.db2.gz OBRQHFZORBFXFM-NWDGAFQWSA-N 2 1 273.377 -0.912 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001385346303 899564589 /nfs/dbraw/zinc/56/45/89/899564589.db2.gz LEQUTKZLXVTKDB-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001386313117 899652592 /nfs/dbraw/zinc/65/25/92/899652592.db2.gz MFRXZRRGNUJOOB-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001387713700 899818819 /nfs/dbraw/zinc/81/88/19/899818819.db2.gz YFFLBJXPUCXKGA-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001387713700 899818826 /nfs/dbraw/zinc/81/88/26/899818826.db2.gz YFFLBJXPUCXKGA-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001387713700 899818834 /nfs/dbraw/zinc/81/88/34/899818834.db2.gz YFFLBJXPUCXKGA-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](C(=O)NC1CN(C(=O)CC[N@@H+](C)CC)C1)[NH+](C)C ZINC001387781469 899829417 /nfs/dbraw/zinc/82/94/17/899829417.db2.gz SSFKGMBFPGXBOH-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)CCNC(=O)CC[NH+](C)C ZINC001388060354 899864375 /nfs/dbraw/zinc/86/43/75/899864375.db2.gz XGPWZUJSUUGYCX-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCNC(=O)CC[NH+](C)C ZINC001388060353 899864488 /nfs/dbraw/zinc/86/44/88/899864488.db2.gz XGPWZUJSUUGYCX-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001388709800 899903873 /nfs/dbraw/zinc/90/38/73/899903873.db2.gz YZXAVUYYRUGDCG-XDQVBPFNSA-N 2 1 299.415 -0.164 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001388709800 899903875 /nfs/dbraw/zinc/90/38/75/899903875.db2.gz YZXAVUYYRUGDCG-XDQVBPFNSA-N 2 1 299.415 -0.164 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001388722111 899905306 /nfs/dbraw/zinc/90/53/06/899905306.db2.gz SDBPEXUVUCAKLA-HAQNSBGRSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001388808408 899910774 /nfs/dbraw/zinc/91/07/74/899910774.db2.gz PKQWICJKAFHAQM-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)N1CCC1 ZINC001388788882 899910330 /nfs/dbraw/zinc/91/03/30/899910330.db2.gz CSKYFYNJTMAUIY-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)N1CCC1 ZINC001388788882 899910338 /nfs/dbraw/zinc/91/03/38/899910338.db2.gz CSKYFYNJTMAUIY-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001388808408 899910738 /nfs/dbraw/zinc/91/07/38/899910738.db2.gz PKQWICJKAFHAQM-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001388808408 899910749 /nfs/dbraw/zinc/91/07/49/899910749.db2.gz PKQWICJKAFHAQM-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001388808408 899910762 /nfs/dbraw/zinc/91/07/62/899910762.db2.gz PKQWICJKAFHAQM-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001388831720 899914996 /nfs/dbraw/zinc/91/49/96/899914996.db2.gz GPBBACGFCRWGCQ-ZDUSSCGKSA-N 2 1 296.415 -0.120 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001388831720 899915003 /nfs/dbraw/zinc/91/50/03/899915003.db2.gz GPBBACGFCRWGCQ-ZDUSSCGKSA-N 2 1 296.415 -0.120 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001389424981 900013764 /nfs/dbraw/zinc/01/37/64/900013764.db2.gz FWHOZPIZDPDAEV-CQSZACIVSA-N 2 1 298.431 -0.946 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001389520554 900035024 /nfs/dbraw/zinc/03/50/24/900035024.db2.gz ZDJULARUIXYVQD-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001389813159 900078428 /nfs/dbraw/zinc/07/84/28/900078428.db2.gz AKVYMWICLFDMPP-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001389839815 900083426 /nfs/dbraw/zinc/08/34/26/900083426.db2.gz VRTCODXNRZTBTM-FDYHWXHSSA-N 2 1 285.388 -0.411 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001389839815 900083440 /nfs/dbraw/zinc/08/34/40/900083440.db2.gz VRTCODXNRZTBTM-FDYHWXHSSA-N 2 1 285.388 -0.411 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001389905925 900089344 /nfs/dbraw/zinc/08/93/44/900089344.db2.gz LCORCVYAQLILSO-IJLUTSLNSA-N 2 1 282.388 -0.548 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001389895939 900089820 /nfs/dbraw/zinc/08/98/20/900089820.db2.gz VRHWZAPQVSRVAL-JHJVBQTASA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001390039567 900108502 /nfs/dbraw/zinc/10/85/02/900108502.db2.gz SKWLSDSOYHGBES-FRRDWIJNSA-N 2 1 296.415 -0.206 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001390411554 900153164 /nfs/dbraw/zinc/15/31/64/900153164.db2.gz XLRFFAFMLJERFG-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001390442883 900162482 /nfs/dbraw/zinc/16/24/82/900162482.db2.gz YUWHGCLXIIOMTK-PWSUYJOCSA-N 2 1 295.387 -0.237 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001390478407 900169703 /nfs/dbraw/zinc/16/97/03/900169703.db2.gz IQAQGJWSMJFGQA-SNVBAGLBSA-N 2 1 272.393 -0.456 20 0 CBADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1nnnn1C ZINC001390456770 900165299 /nfs/dbraw/zinc/16/52/99/900165299.db2.gz AEYPFCSCQSCQMP-SNVBAGLBSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]C[C@H]1CCOC1 ZINC001390493169 900176639 /nfs/dbraw/zinc/17/66/39/900176639.db2.gz LUOXQHOEHXRQTB-ZIAGYGMSSA-N 2 1 299.415 -0.161 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1nncn1C)[NH+](C)C ZINC001390507329 900177776 /nfs/dbraw/zinc/17/77/76/900177776.db2.gz JLPWAAPVBMIIHX-WCQYABFASA-N 2 1 296.419 -0.004 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001390516853 900179991 /nfs/dbraw/zinc/17/99/91/900179991.db2.gz DPYDUYZBPPZOLO-SNVBAGLBSA-N 2 1 293.371 -0.436 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001390538776 900184137 /nfs/dbraw/zinc/18/41/37/900184137.db2.gz PAFSCUSQJVVIAL-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001390564384 900190224 /nfs/dbraw/zinc/19/02/24/900190224.db2.gz AIIARFTXFLBMNJ-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001390601801 900196293 /nfs/dbraw/zinc/19/62/93/900196293.db2.gz CVHMLMKMROBFCJ-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001390618955 900199974 /nfs/dbraw/zinc/19/99/74/900199974.db2.gz CODZZRDFFAJQNE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001390618955 900199982 /nfs/dbraw/zinc/19/99/82/900199982.db2.gz CODZZRDFFAJQNE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001390618955 900199989 /nfs/dbraw/zinc/19/99/89/900199989.db2.gz CODZZRDFFAJQNE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001390618955 900199994 /nfs/dbraw/zinc/19/99/94/900199994.db2.gz CODZZRDFFAJQNE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001390646976 900203269 /nfs/dbraw/zinc/20/32/69/900203269.db2.gz OBYGMKVZFCELHH-STQMWFEESA-N 2 1 294.403 -0.143 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(N)=O ZINC001390670920 900205190 /nfs/dbraw/zinc/20/51/90/900205190.db2.gz INILDJMNHXGXKS-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(N)=O ZINC001390670923 900206456 /nfs/dbraw/zinc/20/64/56/900206456.db2.gz INILDJMNHXGXKS-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001390714667 900215346 /nfs/dbraw/zinc/21/53/46/900215346.db2.gz MJPOBFLXOMPQTH-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001390814820 900255795 /nfs/dbraw/zinc/25/57/95/900255795.db2.gz GCRVVZDKKATKRT-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001390814820 900255807 /nfs/dbraw/zinc/25/58/07/900255807.db2.gz GCRVVZDKKATKRT-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001390814820 900255818 /nfs/dbraw/zinc/25/58/18/900255818.db2.gz GCRVVZDKKATKRT-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001390814820 900255825 /nfs/dbraw/zinc/25/58/25/900255825.db2.gz GCRVVZDKKATKRT-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001390814822 900257543 /nfs/dbraw/zinc/25/75/43/900257543.db2.gz GCRVVZDKKATKRT-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001390814822 900257559 /nfs/dbraw/zinc/25/75/59/900257559.db2.gz GCRVVZDKKATKRT-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001390814822 900257572 /nfs/dbraw/zinc/25/75/72/900257572.db2.gz GCRVVZDKKATKRT-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001390814822 900257586 /nfs/dbraw/zinc/25/75/86/900257586.db2.gz GCRVVZDKKATKRT-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001390857513 900265378 /nfs/dbraw/zinc/26/53/78/900265378.db2.gz HLDYPSHAAABWSL-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001390857513 900265389 /nfs/dbraw/zinc/26/53/89/900265389.db2.gz HLDYPSHAAABWSL-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP C[C@@H](C(=O)NC1CC1)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001390859907 900265761 /nfs/dbraw/zinc/26/57/61/900265761.db2.gz IUOWZLCFCQTNOP-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001390859907 900265776 /nfs/dbraw/zinc/26/57/76/900265776.db2.gz IUOWZLCFCQTNOP-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001390859907 900265783 /nfs/dbraw/zinc/26/57/83/900265783.db2.gz IUOWZLCFCQTNOP-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390859907 900265799 /nfs/dbraw/zinc/26/57/99/900265799.db2.gz IUOWZLCFCQTNOP-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001390859907 900265814 /nfs/dbraw/zinc/26/58/14/900265814.db2.gz IUOWZLCFCQTNOP-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP CN1CC[C@@H]([N@H+](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001390856355 900265899 /nfs/dbraw/zinc/26/58/99/900265899.db2.gz AIBQVIGBCFOMFC-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001390856355 900265916 /nfs/dbraw/zinc/26/59/16/900265916.db2.gz AIBQVIGBCFOMFC-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP C[C@H](C(=O)NC1CC1)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001390859902 900268180 /nfs/dbraw/zinc/26/81/80/900268180.db2.gz IUOWZLCFCQTNOP-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001390859902 900268192 /nfs/dbraw/zinc/26/81/92/900268192.db2.gz IUOWZLCFCQTNOP-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001390859902 900268208 /nfs/dbraw/zinc/26/82/08/900268208.db2.gz IUOWZLCFCQTNOP-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C(=O)NC1CC1)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001390859902 900268218 /nfs/dbraw/zinc/26/82/18/900268218.db2.gz IUOWZLCFCQTNOP-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C(=O)NC1CC1)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001390859902 900268232 /nfs/dbraw/zinc/26/82/32/900268232.db2.gz IUOWZLCFCQTNOP-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001390864129 900273692 /nfs/dbraw/zinc/27/36/92/900273692.db2.gz ZXPMHHUWXHNFBE-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001390864129 900273702 /nfs/dbraw/zinc/27/37/02/900273702.db2.gz ZXPMHHUWXHNFBE-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(=O)NC ZINC001390988507 900286661 /nfs/dbraw/zinc/28/66/61/900286661.db2.gz NNCCLHFHKHLLJS-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(=O)NC ZINC001390988507 900286672 /nfs/dbraw/zinc/28/66/72/900286672.db2.gz NNCCLHFHKHLLJS-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CC(=O)NC ZINC001390988507 900286685 /nfs/dbraw/zinc/28/66/85/900286685.db2.gz NNCCLHFHKHLLJS-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CC(=O)NC ZINC001390988507 900286699 /nfs/dbraw/zinc/28/66/99/900286699.db2.gz NNCCLHFHKHLLJS-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCn1cncn1 ZINC001391028160 900292900 /nfs/dbraw/zinc/29/29/00/900292900.db2.gz WPMVNHGCNJPPDL-ZDUSSCGKSA-N 2 1 294.403 -0.332 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CCn1cncn1 ZINC001391028160 900292906 /nfs/dbraw/zinc/29/29/06/900292906.db2.gz WPMVNHGCNJPPDL-ZDUSSCGKSA-N 2 1 294.403 -0.332 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCn1cncn1 ZINC001391028160 900292916 /nfs/dbraw/zinc/29/29/16/900292916.db2.gz WPMVNHGCNJPPDL-ZDUSSCGKSA-N 2 1 294.403 -0.332 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCn1cncn1 ZINC001391028158 900293324 /nfs/dbraw/zinc/29/33/24/900293324.db2.gz WPMVNHGCNJPPDL-CYBMUJFWSA-N 2 1 294.403 -0.332 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCn1cncn1 ZINC001391028158 900293337 /nfs/dbraw/zinc/29/33/37/900293337.db2.gz WPMVNHGCNJPPDL-CYBMUJFWSA-N 2 1 294.403 -0.332 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCn1cncn1 ZINC001391028158 900293351 /nfs/dbraw/zinc/29/33/51/900293351.db2.gz WPMVNHGCNJPPDL-CYBMUJFWSA-N 2 1 294.403 -0.332 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCN1[C@@H](C)C(N)=O ZINC001391067161 900297898 /nfs/dbraw/zinc/29/78/98/900297898.db2.gz IPHDOKSIXIMAKN-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@@H](C)C(N)=O ZINC001391067161 900297908 /nfs/dbraw/zinc/29/79/08/900297908.db2.gz IPHDOKSIXIMAKN-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@@H](C)C(N)=O ZINC001391067161 900297915 /nfs/dbraw/zinc/29/79/15/900297915.db2.gz IPHDOKSIXIMAKN-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001391067161 900297928 /nfs/dbraw/zinc/29/79/28/900297928.db2.gz IPHDOKSIXIMAKN-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001391098034 900311140 /nfs/dbraw/zinc/31/11/40/900311140.db2.gz PPJNPAXBIMFKNU-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001391098034 900311147 /nfs/dbraw/zinc/31/11/47/900311147.db2.gz PPJNPAXBIMFKNU-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001391098034 900311159 /nfs/dbraw/zinc/31/11/59/900311159.db2.gz PPJNPAXBIMFKNU-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001391107436 900315490 /nfs/dbraw/zinc/31/54/90/900315490.db2.gz AVGMXPOTEVPCCI-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH+](C1CC1)[C@@H]1CCNC1=O ZINC001391188370 900329285 /nfs/dbraw/zinc/32/92/85/900329285.db2.gz OYQFRHNODSIGFE-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C1CC1)[C@@H]1CCNC1=O ZINC001391188370 900329293 /nfs/dbraw/zinc/32/92/93/900329293.db2.gz OYQFRHNODSIGFE-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001391188370 900329305 /nfs/dbraw/zinc/32/93/05/900329305.db2.gz OYQFRHNODSIGFE-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001391188370 900329315 /nfs/dbraw/zinc/32/93/15/900329315.db2.gz OYQFRHNODSIGFE-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@H]([NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001391226456 900344249 /nfs/dbraw/zinc/34/42/49/900344249.db2.gz IOTRFVHKRQKVKA-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H]([NH2+]CCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001391235163 900346515 /nfs/dbraw/zinc/34/65/15/900346515.db2.gz UVLRGCYIFJGLOP-OCCSQVGLSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]([NH2+]CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001391235163 900346523 /nfs/dbraw/zinc/34/65/23/900346523.db2.gz UVLRGCYIFJGLOP-OCCSQVGLSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001391353043 900360688 /nfs/dbraw/zinc/36/06/88/900360688.db2.gz HQUNANVRJLHXQE-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC(N)=O)C1 ZINC001391358114 900362994 /nfs/dbraw/zinc/36/29/94/900362994.db2.gz XYMLCGIQYDGMSJ-GFCCVEGCSA-N 2 1 284.404 -0.406 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001391358114 900362999 /nfs/dbraw/zinc/36/29/99/900362999.db2.gz XYMLCGIQYDGMSJ-GFCCVEGCSA-N 2 1 284.404 -0.406 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001391358114 900363011 /nfs/dbraw/zinc/36/30/11/900363011.db2.gz XYMLCGIQYDGMSJ-GFCCVEGCSA-N 2 1 284.404 -0.406 20 0 CBADMP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001391562686 900408386 /nfs/dbraw/zinc/40/83/86/900408386.db2.gz XZCNJHQCZFTRRG-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001391562686 900408395 /nfs/dbraw/zinc/40/83/95/900408395.db2.gz XZCNJHQCZFTRRG-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001391564621 900409673 /nfs/dbraw/zinc/40/96/73/900409673.db2.gz OKNOCWXPLOUQIV-SRVKXCTJSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001391564621 900409680 /nfs/dbraw/zinc/40/96/80/900409680.db2.gz OKNOCWXPLOUQIV-SRVKXCTJSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001391592996 900418833 /nfs/dbraw/zinc/41/88/33/900418833.db2.gz BGULSSGDHPXHSH-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001391592996 900418839 /nfs/dbraw/zinc/41/88/39/900418839.db2.gz BGULSSGDHPXHSH-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001391592996 900418845 /nfs/dbraw/zinc/41/88/45/900418845.db2.gz BGULSSGDHPXHSH-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001391592996 900418853 /nfs/dbraw/zinc/41/88/53/900418853.db2.gz BGULSSGDHPXHSH-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001391624069 900421317 /nfs/dbraw/zinc/42/13/17/900421317.db2.gz RSHRONIICDUANJ-ZDUSSCGKSA-N 2 1 294.403 -0.238 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)Cn1c[nH+]cc1C ZINC001391705254 900435427 /nfs/dbraw/zinc/43/54/27/900435427.db2.gz IHKBSKATHCOGQG-LBPRGKRZSA-N 2 1 295.387 -0.188 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]C[C@H](O)COC ZINC001391719245 900438934 /nfs/dbraw/zinc/43/89/34/900438934.db2.gz PXHCTYPVZQXGAM-FRRDWIJNSA-N 2 1 287.404 -0.428 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](CC)[NH2+][C@H]1CCNC1=O ZINC001391745569 900444173 /nfs/dbraw/zinc/44/41/73/900444173.db2.gz VWYKTRNVLUTBSA-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](CC)[NH2+][C@@H]1CCNC1=O ZINC001391745572 900444510 /nfs/dbraw/zinc/44/45/10/900444510.db2.gz VWYKTRNVLUTBSA-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001391913832 900464910 /nfs/dbraw/zinc/46/49/10/900464910.db2.gz CSYGVNRGPRUSLA-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001391966388 900475159 /nfs/dbraw/zinc/47/51/59/900475159.db2.gz OMGFBZWUXUACGR-DOMZBBRYSA-N 2 1 296.415 -0.440 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCO)CCCC2)C1 ZINC001392020065 900490780 /nfs/dbraw/zinc/49/07/80/900490780.db2.gz AXGIMENGGMXALW-CYBMUJFWSA-N 2 1 299.415 -0.282 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCO)CCCC2)C1 ZINC001392020065 900490787 /nfs/dbraw/zinc/49/07/87/900490787.db2.gz AXGIMENGGMXALW-CYBMUJFWSA-N 2 1 299.415 -0.282 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001392136813 900520230 /nfs/dbraw/zinc/52/02/30/900520230.db2.gz WDNBCKCKLAYPAU-WDEREUQCSA-N 2 1 295.387 -0.237 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001392125056 900521405 /nfs/dbraw/zinc/52/14/05/900521405.db2.gz VUGBHLGYUOPSIC-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001392216990 900533170 /nfs/dbraw/zinc/53/31/70/900533170.db2.gz SXCWVQKNHPHDFO-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001392216991 900533191 /nfs/dbraw/zinc/53/31/91/900533191.db2.gz SXCWVQKNHPHDFO-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001392246087 900537990 /nfs/dbraw/zinc/53/79/90/900537990.db2.gz JRJCPCVEQACIAL-STQMWFEESA-N 2 1 298.431 -0.195 20 0 CBADMP CN(CC[N@H+](C)C[C@@H]1CCOC1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001392271870 900544939 /nfs/dbraw/zinc/54/49/39/900544939.db2.gz MDDBZAYWSOFNAO-KBPBESRZSA-N 2 1 299.415 -0.256 20 0 CBADMP CN(CC[N@@H+](C)C[C@@H]1CCOC1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001392271870 900544944 /nfs/dbraw/zinc/54/49/44/900544944.db2.gz MDDBZAYWSOFNAO-KBPBESRZSA-N 2 1 299.415 -0.256 20 0 CBADMP CN(CC[NH+](C)C[C@@H]1CCOC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001392271870 900544949 /nfs/dbraw/zinc/54/49/49/900544949.db2.gz MDDBZAYWSOFNAO-KBPBESRZSA-N 2 1 299.415 -0.256 20 0 CBADMP CN(CC[NH+](C)C[C@@H]1CCOC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001392271870 900544954 /nfs/dbraw/zinc/54/49/54/900544954.db2.gz MDDBZAYWSOFNAO-KBPBESRZSA-N 2 1 299.415 -0.256 20 0 CBADMP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001392271908 900552144 /nfs/dbraw/zinc/55/21/44/900552144.db2.gz MHWOIWBBIZAOBN-NEPJUHHUSA-N 2 1 273.377 -0.912 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001392271908 900552152 /nfs/dbraw/zinc/55/21/52/900552152.db2.gz MHWOIWBBIZAOBN-NEPJUHHUSA-N 2 1 273.377 -0.912 20 0 CBADMP C[C@@H](O)C[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001392271908 900552163 /nfs/dbraw/zinc/55/21/63/900552163.db2.gz MHWOIWBBIZAOBN-NEPJUHHUSA-N 2 1 273.377 -0.912 20 0 CBADMP C[C@@H](O)C[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001392271908 900552171 /nfs/dbraw/zinc/55/21/71/900552171.db2.gz MHWOIWBBIZAOBN-NEPJUHHUSA-N 2 1 273.377 -0.912 20 0 CBADMP CN(CCN(C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392327750 900562976 /nfs/dbraw/zinc/56/29/76/900562976.db2.gz ULEQGRMERACSPK-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001392327750 900562985 /nfs/dbraw/zinc/56/29/85/900562985.db2.gz ULEQGRMERACSPK-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001392327750 900562992 /nfs/dbraw/zinc/56/29/92/900562992.db2.gz ULEQGRMERACSPK-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392327750 900562999 /nfs/dbraw/zinc/56/29/99/900562999.db2.gz ULEQGRMERACSPK-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392327750 900563008 /nfs/dbraw/zinc/56/30/08/900563008.db2.gz ULEQGRMERACSPK-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001392348346 900574929 /nfs/dbraw/zinc/57/49/29/900574929.db2.gz YBCNSXRVXHTVRX-YPMHNXCESA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001392424844 900614839 /nfs/dbraw/zinc/61/48/39/900614839.db2.gz KLQGLZOTAPBVMH-KBPBESRZSA-N 2 1 292.383 -0.400 20 0 CBADMP Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001392425844 900615022 /nfs/dbraw/zinc/61/50/22/900615022.db2.gz IXWOANDDQYYZGU-CYBMUJFWSA-N 2 1 298.387 -0.110 20 0 CBADMP C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001392441692 900620373 /nfs/dbraw/zinc/62/03/73/900620373.db2.gz IBGVMNSYLDGYRE-MNOVXSKESA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001392504670 900641732 /nfs/dbraw/zinc/64/17/32/900641732.db2.gz MLYZJXHCNHUVAS-KXNHARMFSA-N 2 1 284.404 -0.315 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(C)C ZINC001392529166 900646365 /nfs/dbraw/zinc/64/63/65/900646365.db2.gz FQDPCOKLTIRJIY-LLVKDONJSA-N 2 1 295.387 -0.190 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392564575 900660479 /nfs/dbraw/zinc/66/04/79/900660479.db2.gz ZBTGYTHXDLZLSX-UMSGYPCISA-N 2 1 287.404 -0.572 20 0 CBADMP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001392575304 900664801 /nfs/dbraw/zinc/66/48/01/900664801.db2.gz LAXGDXOAGFVCAK-CMPLNLGQSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001392591395 900670433 /nfs/dbraw/zinc/67/04/33/900670433.db2.gz JCJANBUNEFXUGE-QWRGUYRKSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392591395 900670440 /nfs/dbraw/zinc/67/04/40/900670440.db2.gz JCJANBUNEFXUGE-QWRGUYRKSA-N 2 1 295.391 -0.854 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001392605048 900674309 /nfs/dbraw/zinc/67/43/09/900674309.db2.gz ZDXAOSHTCGCEQX-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392605048 900674317 /nfs/dbraw/zinc/67/43/17/900674317.db2.gz ZDXAOSHTCGCEQX-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392605048 900674325 /nfs/dbraw/zinc/67/43/25/900674325.db2.gz ZDXAOSHTCGCEQX-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001392617736 900677065 /nfs/dbraw/zinc/67/70/65/900677065.db2.gz KOZFSXVRGFSWQB-SMDDNHRTSA-N 2 1 292.383 -0.131 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001392616519 900678698 /nfs/dbraw/zinc/67/86/98/900678698.db2.gz HEOCXVIPSOAVRT-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001392661287 900691931 /nfs/dbraw/zinc/69/19/31/900691931.db2.gz PCKQMEKDLOEZCG-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001392661287 900691938 /nfs/dbraw/zinc/69/19/38/900691938.db2.gz PCKQMEKDLOEZCG-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001392661287 900691942 /nfs/dbraw/zinc/69/19/42/900691942.db2.gz PCKQMEKDLOEZCG-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001392661287 900691950 /nfs/dbraw/zinc/69/19/50/900691950.db2.gz PCKQMEKDLOEZCG-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C1CC1)NC(=O)CC[NH+](C)C ZINC001392688182 900699009 /nfs/dbraw/zinc/69/90/09/900699009.db2.gz KCWJOVDBBBDEOV-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C1CC1)NC(=O)CC[NH+](C)C ZINC001392688182 900699019 /nfs/dbraw/zinc/69/90/19/900699019.db2.gz KCWJOVDBBBDEOV-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001392694177 900705010 /nfs/dbraw/zinc/70/50/10/900705010.db2.gz WOAHBMXJCUGASB-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001392694177 900705024 /nfs/dbraw/zinc/70/50/24/900705024.db2.gz WOAHBMXJCUGASB-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001392694177 900705038 /nfs/dbraw/zinc/70/50/38/900705038.db2.gz WOAHBMXJCUGASB-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001392694177 900705052 /nfs/dbraw/zinc/70/50/52/900705052.db2.gz WOAHBMXJCUGASB-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001392725990 900714715 /nfs/dbraw/zinc/71/47/15/900714715.db2.gz JVLDIIZRELRVKQ-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001392725990 900714721 /nfs/dbraw/zinc/71/47/21/900714721.db2.gz JVLDIIZRELRVKQ-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001392725990 900714726 /nfs/dbraw/zinc/71/47/26/900714726.db2.gz JVLDIIZRELRVKQ-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001392725990 900714732 /nfs/dbraw/zinc/71/47/32/900714732.db2.gz JVLDIIZRELRVKQ-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001392725988 900715494 /nfs/dbraw/zinc/71/54/94/900715494.db2.gz JVLDIIZRELRVKQ-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001392725988 900715504 /nfs/dbraw/zinc/71/55/04/900715504.db2.gz JVLDIIZRELRVKQ-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001392725988 900715515 /nfs/dbraw/zinc/71/55/15/900715515.db2.gz JVLDIIZRELRVKQ-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001392725988 900715526 /nfs/dbraw/zinc/71/55/26/900715526.db2.gz JVLDIIZRELRVKQ-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392821879 900733035 /nfs/dbraw/zinc/73/30/35/900733035.db2.gz AKBVWIKCROBLEQ-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001392992179 900771515 /nfs/dbraw/zinc/77/15/15/900771515.db2.gz OYTAIRCPCDEFJV-WFASDCNBSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001393164067 900799710 /nfs/dbraw/zinc/79/97/10/900799710.db2.gz PODCRVLOTVXHJJ-IUODEOHRSA-N 2 1 296.415 -0.358 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001393644797 900885839 /nfs/dbraw/zinc/88/58/39/900885839.db2.gz QBTDTMMXRJXRMF-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001393798663 900910471 /nfs/dbraw/zinc/91/04/71/900910471.db2.gz UUEUGJZLPJVGIY-WCQYABFASA-N 2 1 296.415 -0.156 20 0 CBADMP CN(CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001393884516 900922539 /nfs/dbraw/zinc/92/25/39/900922539.db2.gz RKNNXSUSQKACTK-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001393888786 900926157 /nfs/dbraw/zinc/92/61/57/900926157.db2.gz BUELYJZOUCVYIM-HBIQZDMRSA-N 2 1 282.388 -0.704 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1ncnn1C ZINC001393965719 900940197 /nfs/dbraw/zinc/94/01/97/900940197.db2.gz FOEUIAAVBGFLPD-GHMZBOCLSA-N 2 1 282.392 -0.250 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001394004971 900947081 /nfs/dbraw/zinc/94/70/81/900947081.db2.gz URYHNPJPNTXNTF-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001394098671 900976332 /nfs/dbraw/zinc/97/63/32/900976332.db2.gz AQNRETMLQNRRLC-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001394098671 900976346 /nfs/dbraw/zinc/97/63/46/900976346.db2.gz AQNRETMLQNRRLC-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001394120245 900979458 /nfs/dbraw/zinc/97/94/58/900979458.db2.gz AROKXZWIVIODQD-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001394120245 900979461 /nfs/dbraw/zinc/97/94/61/900979461.db2.gz AROKXZWIVIODQD-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001394120429 900982363 /nfs/dbraw/zinc/98/23/63/900982363.db2.gz CEFZXIYAHWPOBX-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001394120429 900982372 /nfs/dbraw/zinc/98/23/72/900982372.db2.gz CEFZXIYAHWPOBX-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001394139657 900987319 /nfs/dbraw/zinc/98/73/19/900987319.db2.gz POYZUBFQWNYQAN-NEPJUHHUSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001394139657 900987330 /nfs/dbraw/zinc/98/73/30/900987330.db2.gz POYZUBFQWNYQAN-NEPJUHHUSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001394139657 900987344 /nfs/dbraw/zinc/98/73/44/900987344.db2.gz POYZUBFQWNYQAN-NEPJUHHUSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001394139657 900987354 /nfs/dbraw/zinc/98/73/54/900987354.db2.gz POYZUBFQWNYQAN-NEPJUHHUSA-N 2 1 286.420 -0.102 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001394262524 901003794 /nfs/dbraw/zinc/00/37/94/901003794.db2.gz KWEPYVCZEHBBEB-WCQYABFASA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001394262524 901003806 /nfs/dbraw/zinc/00/38/06/901003806.db2.gz KWEPYVCZEHBBEB-WCQYABFASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001394370763 901019803 /nfs/dbraw/zinc/01/98/03/901019803.db2.gz AABFXNVGOCCRHD-IJLUTSLNSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001394375174 901020416 /nfs/dbraw/zinc/02/04/16/901020416.db2.gz JHVIJYNXSHRSCE-HAQNSBGRSA-N 2 1 298.431 -0.066 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001394381206 901022991 /nfs/dbraw/zinc/02/29/91/901022991.db2.gz MINPXEJWZNVFGD-AAVRWANBSA-N 2 1 299.415 -0.570 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(N)=O ZINC001394496399 901038548 /nfs/dbraw/zinc/03/85/48/901038548.db2.gz PUOHKWQXXNKYJS-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)c1cnccn1 ZINC001394623406 901097488 /nfs/dbraw/zinc/09/74/88/901097488.db2.gz TVKHBYJVTOORBM-VXGBXAGGSA-N 2 1 295.387 -0.444 20 0 CBADMP Cc1oncc1C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001394656013 901109729 /nfs/dbraw/zinc/10/97/29/901109729.db2.gz XNITXMKZDLZQCO-ZDUSSCGKSA-N 2 1 296.371 -0.354 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC)C[C@H]1C ZINC001394667384 901116110 /nfs/dbraw/zinc/11/61/10/901116110.db2.gz IWTSBNLKEDZAPF-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001394681967 901120506 /nfs/dbraw/zinc/12/05/06/901120506.db2.gz UYAWHBDJSZNGAG-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001394748068 901140840 /nfs/dbraw/zinc/14/08/40/901140840.db2.gz ZQOHZLOTGSLPKM-SNVBAGLBSA-N 2 1 284.360 -0.221 20 0 CBADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001394852336 901165475 /nfs/dbraw/zinc/16/54/75/901165475.db2.gz IXOCASZPCWMWMG-BPCQOVAHSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001394852581 901166231 /nfs/dbraw/zinc/16/62/31/901166231.db2.gz WEVOXPGLHDHXQY-MCIGGMRASA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@@H]1CC[N@H+]1CCO ZINC001397024230 901355309 /nfs/dbraw/zinc/35/53/09/901355309.db2.gz BWGZQGOJQBSCID-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001397176402 901373068 /nfs/dbraw/zinc/37/30/68/901373068.db2.gz RRGARHUOPSQKNT-UONOGXRCSA-N 2 1 299.415 -0.425 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CCn1cncn1 ZINC001397252278 901379984 /nfs/dbraw/zinc/37/99/84/901379984.db2.gz PRINBGRDTKBDAQ-OLZOCXBDSA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001397444045 901412573 /nfs/dbraw/zinc/41/25/73/901412573.db2.gz KJJZLCBAYMPXPI-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CN(C[C@H]1CC[N@@H+]1CCn1cncn1)C(=O)CC[NH+](C)C ZINC001397542642 901427116 /nfs/dbraw/zinc/42/71/16/901427116.db2.gz GMKYBJPYYHGALG-CYBMUJFWSA-N 2 1 294.403 -0.238 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCn1cncn1)C(=O)CC[NH+](C)C ZINC001397542642 901427123 /nfs/dbraw/zinc/42/71/23/901427123.db2.gz GMKYBJPYYHGALG-CYBMUJFWSA-N 2 1 294.403 -0.238 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001397558167 901430793 /nfs/dbraw/zinc/43/07/93/901430793.db2.gz CIBDJKWTOJHQAR-TUAOUCFPSA-N 2 1 282.388 -0.689 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001397612478 901439199 /nfs/dbraw/zinc/43/91/99/901439199.db2.gz JESSDQRTCMDHMI-BETUJISGSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001398366183 901530588 /nfs/dbraw/zinc/53/05/88/901530588.db2.gz QLCLHQQVZLJOFG-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001398389265 901535106 /nfs/dbraw/zinc/53/51/06/901535106.db2.gz AIFFKRGSMOLIJB-STQMWFEESA-N 2 1 296.415 -0.171 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001398605547 901573862 /nfs/dbraw/zinc/57/38/62/901573862.db2.gz PKTBXNICPGEMSM-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001398654602 901585704 /nfs/dbraw/zinc/58/57/04/901585704.db2.gz NWTPQNFSQARQSR-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001398654602 901585713 /nfs/dbraw/zinc/58/57/13/901585713.db2.gz NWTPQNFSQARQSR-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001398668393 901587157 /nfs/dbraw/zinc/58/71/57/901587157.db2.gz KCSUWCBJKZEZTQ-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001398668393 901587162 /nfs/dbraw/zinc/58/71/62/901587162.db2.gz KCSUWCBJKZEZTQ-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001398668393 901587168 /nfs/dbraw/zinc/58/71/68/901587168.db2.gz KCSUWCBJKZEZTQ-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001398668393 901587176 /nfs/dbraw/zinc/58/71/76/901587176.db2.gz KCSUWCBJKZEZTQ-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001398715706 901593799 /nfs/dbraw/zinc/59/37/99/901593799.db2.gz YWISOWLSOXRQTG-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001398715706 901593804 /nfs/dbraw/zinc/59/38/04/901593804.db2.gz YWISOWLSOXRQTG-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP 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 901605406 /nfs/dbraw/zinc/60/54/06/901605406.db2.gz OXIUTFODDHZASX-KIJLLGNVSA-N 2 1 296.415 -0.493 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001399108742 901666483 /nfs/dbraw/zinc/66/64/83/901666483.db2.gz ROVQHDCOTKRVIJ-JTQLQIEISA-N 2 1 283.380 -0.854 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001399108742 901666488 /nfs/dbraw/zinc/66/64/88/901666488.db2.gz ROVQHDCOTKRVIJ-JTQLQIEISA-N 2 1 283.380 -0.854 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001399154408 901673847 /nfs/dbraw/zinc/67/38/47/901673847.db2.gz DWUGCXGTGPSJNQ-QWRGUYRKSA-N 2 1 297.407 -0.294 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001399154408 901673849 /nfs/dbraw/zinc/67/38/49/901673849.db2.gz DWUGCXGTGPSJNQ-QWRGUYRKSA-N 2 1 297.407 -0.294 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001399154404 901674915 /nfs/dbraw/zinc/67/49/15/901674915.db2.gz DWUGCXGTGPSJNQ-MNOVXSKESA-N 2 1 297.407 -0.294 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001399154404 901674928 /nfs/dbraw/zinc/67/49/28/901674928.db2.gz DWUGCXGTGPSJNQ-MNOVXSKESA-N 2 1 297.407 -0.294 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001399287664 901691687 /nfs/dbraw/zinc/69/16/87/901691687.db2.gz KHHBTKDATFCCBL-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001399287664 901691697 /nfs/dbraw/zinc/69/16/97/901691697.db2.gz KHHBTKDATFCCBL-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001399286753 901692185 /nfs/dbraw/zinc/69/21/85/901692185.db2.gz ISAOCJXEDDMIHL-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCCNC1=O ZINC001399435602 901714441 /nfs/dbraw/zinc/71/44/41/901714441.db2.gz JIIWJAKDHFSHJP-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCCNC1=O ZINC001399435602 901714404 /nfs/dbraw/zinc/71/44/04/901714404.db2.gz JIIWJAKDHFSHJP-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCCNC1=O ZINC001399435602 901714417 /nfs/dbraw/zinc/71/44/17/901714417.db2.gz JIIWJAKDHFSHJP-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCNC1=O ZINC001399435602 901714429 /nfs/dbraw/zinc/71/44/29/901714429.db2.gz JIIWJAKDHFSHJP-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001399643177 901762296 /nfs/dbraw/zinc/76/22/96/901762296.db2.gz FNBAVXDQKJWPIJ-LBPRGKRZSA-N 2 1 284.360 -0.753 20 0 CBADMP COC[C@@H](O)C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001399643177 901762283 /nfs/dbraw/zinc/76/22/83/901762283.db2.gz FNBAVXDQKJWPIJ-LBPRGKRZSA-N 2 1 284.360 -0.753 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCCNC1=O ZINC001399635192 901762557 /nfs/dbraw/zinc/76/25/57/901762557.db2.gz SFPPIFPYCHIRHL-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCCNC1=O ZINC001399635192 901762561 /nfs/dbraw/zinc/76/25/61/901762561.db2.gz SFPPIFPYCHIRHL-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001399635192 901762571 /nfs/dbraw/zinc/76/25/71/901762571.db2.gz SFPPIFPYCHIRHL-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001399635192 901762579 /nfs/dbraw/zinc/76/25/79/901762579.db2.gz SFPPIFPYCHIRHL-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCCNC1=O ZINC001399654219 901765586 /nfs/dbraw/zinc/76/55/86/901765586.db2.gz KYCBWYMYTJPXAZ-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCCNC1=O ZINC001399654219 901765598 /nfs/dbraw/zinc/76/55/98/901765598.db2.gz KYCBWYMYTJPXAZ-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCCNC1=O ZINC001399654219 901765613 /nfs/dbraw/zinc/76/56/13/901765613.db2.gz KYCBWYMYTJPXAZ-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCNC1=O ZINC001399654219 901765626 /nfs/dbraw/zinc/76/56/26/901765626.db2.gz KYCBWYMYTJPXAZ-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@H](C)C(=O)N(C)C ZINC001399817997 901811862 /nfs/dbraw/zinc/81/18/62/901811862.db2.gz ASCHFSVBVNARJY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)[C@H](C)C(=O)N(C)C ZINC001399817997 901811869 /nfs/dbraw/zinc/81/18/69/901811869.db2.gz ASCHFSVBVNARJY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001399876872 901820949 /nfs/dbraw/zinc/82/09/49/901820949.db2.gz RRDPTXSHCWEELH-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001399876872 901820953 /nfs/dbraw/zinc/82/09/53/901820953.db2.gz RRDPTXSHCWEELH-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399936928 901839127 /nfs/dbraw/zinc/83/91/27/901839127.db2.gz YKBNHGPQHFVPOE-NWDGAFQWSA-N 2 1 296.415 -0.360 20 0 CBADMP CN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001399938503 901839747 /nfs/dbraw/zinc/83/97/47/901839747.db2.gz ZVMFWMGPDCAEID-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001399932660 901839844 /nfs/dbraw/zinc/83/98/44/901839844.db2.gz UOCOJSMMZXJFKD-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001399932660 901839855 /nfs/dbraw/zinc/83/98/55/901839855.db2.gz UOCOJSMMZXJFKD-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001399932660 901839877 /nfs/dbraw/zinc/83/98/77/901839877.db2.gz UOCOJSMMZXJFKD-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001399938506 901839963 /nfs/dbraw/zinc/83/99/63/901839963.db2.gz ZVMFWMGPDCAEID-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001399996891 901851010 /nfs/dbraw/zinc/85/10/10/901851010.db2.gz OEPLGMZPMUQNAU-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001399996891 901851021 /nfs/dbraw/zinc/85/10/21/901851021.db2.gz OEPLGMZPMUQNAU-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@H](C)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001399996891 901851033 /nfs/dbraw/zinc/85/10/33/901851033.db2.gz OEPLGMZPMUQNAU-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@H](C)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001399996891 901851042 /nfs/dbraw/zinc/85/10/42/901851042.db2.gz OEPLGMZPMUQNAU-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001400009732 901856122 /nfs/dbraw/zinc/85/61/22/901856122.db2.gz UHACKULKBHXXMF-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001400009732 901856135 /nfs/dbraw/zinc/85/61/35/901856135.db2.gz UHACKULKBHXXMF-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001400009732 901856146 /nfs/dbraw/zinc/85/61/46/901856146.db2.gz UHACKULKBHXXMF-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001400009732 901856155 /nfs/dbraw/zinc/85/61/55/901856155.db2.gz UHACKULKBHXXMF-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001400063059 901870239 /nfs/dbraw/zinc/87/02/39/901870239.db2.gz YEXFPYOLYJOFAM-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@@H+](CC(=O)NCC[C@@H]1CC[NH+](CC(N)=O)C1)C1CCC1 ZINC001400148095 901885377 /nfs/dbraw/zinc/88/53/77/901885377.db2.gz MZOUTHHDAOQTGN-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](CC(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1)C1CCC1 ZINC001400148095 901885380 /nfs/dbraw/zinc/88/53/80/901885380.db2.gz MZOUTHHDAOQTGN-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](CC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1)C1CCC1 ZINC001400148095 901885385 /nfs/dbraw/zinc/88/53/85/901885385.db2.gz MZOUTHHDAOQTGN-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001400627407 901979990 /nfs/dbraw/zinc/97/99/90/901979990.db2.gz GQMUZYDIRVIGFC-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001400627407 901980002 /nfs/dbraw/zinc/98/00/02/901980002.db2.gz GQMUZYDIRVIGFC-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001400627407 901980012 /nfs/dbraw/zinc/98/00/12/901980012.db2.gz GQMUZYDIRVIGFC-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001400627407 901980023 /nfs/dbraw/zinc/98/00/23/901980023.db2.gz GQMUZYDIRVIGFC-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001400688961 901997657 /nfs/dbraw/zinc/99/76/57/901997657.db2.gz XMLFIYVDYDMNGQ-NEPJUHHUSA-N 2 1 282.388 -0.594 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001400688961 901997666 /nfs/dbraw/zinc/99/76/66/901997666.db2.gz XMLFIYVDYDMNGQ-NEPJUHHUSA-N 2 1 282.388 -0.594 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001400688961 901997681 /nfs/dbraw/zinc/99/76/81/901997681.db2.gz XMLFIYVDYDMNGQ-NEPJUHHUSA-N 2 1 282.388 -0.594 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001400688961 901997688 /nfs/dbraw/zinc/99/76/88/901997688.db2.gz XMLFIYVDYDMNGQ-NEPJUHHUSA-N 2 1 282.388 -0.594 20 0 CBADMP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001400774799 902014376 /nfs/dbraw/zinc/01/43/76/902014376.db2.gz VRRGXUYDLYYCKT-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001400774799 902014383 /nfs/dbraw/zinc/01/43/83/902014383.db2.gz VRRGXUYDLYYCKT-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001400774799 902014392 /nfs/dbraw/zinc/01/43/92/902014392.db2.gz VRRGXUYDLYYCKT-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001400774799 902014398 /nfs/dbraw/zinc/01/43/98/902014398.db2.gz VRRGXUYDLYYCKT-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001400897970 902036762 /nfs/dbraw/zinc/03/67/62/902036762.db2.gz MIQFEYVECQMUKW-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001400897970 902036774 /nfs/dbraw/zinc/03/67/74/902036774.db2.gz MIQFEYVECQMUKW-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cnnn1C ZINC001401121863 902057699 /nfs/dbraw/zinc/05/76/99/902057699.db2.gz GQDOWGFIZDMAGL-DGCLKSJQSA-N 2 1 294.403 -0.249 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001401120946 902058675 /nfs/dbraw/zinc/05/86/75/902058675.db2.gz CSYGVNRGPRUSLA-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]CC(N)=O ZINC001401131823 902062135 /nfs/dbraw/zinc/06/21/35/902062135.db2.gz IDSZVWSIMHVGRY-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001401226078 902088020 /nfs/dbraw/zinc/08/80/20/902088020.db2.gz RWRCYWYRLMIKHA-ZYHUDNBSSA-N 2 1 295.387 -0.108 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001401265027 902094232 /nfs/dbraw/zinc/09/42/32/902094232.db2.gz YDQMNMPQDMEENQ-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001401262284 902097427 /nfs/dbraw/zinc/09/74/27/902097427.db2.gz PSEDPLLPQIBUQJ-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCO ZINC001401372302 902112663 /nfs/dbraw/zinc/11/26/63/902112663.db2.gz WEFMRFJGOZECPF-NWDGAFQWSA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCO ZINC001401372302 902112666 /nfs/dbraw/zinc/11/26/66/902112666.db2.gz WEFMRFJGOZECPF-NWDGAFQWSA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCO ZINC001401372306 902114858 /nfs/dbraw/zinc/11/48/58/902114858.db2.gz WEFMRFJGOZECPF-RYUDHWBXSA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCO ZINC001401372306 902114865 /nfs/dbraw/zinc/11/48/65/902114865.db2.gz WEFMRFJGOZECPF-RYUDHWBXSA-N 2 1 273.377 -0.960 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001401434761 902122564 /nfs/dbraw/zinc/12/25/64/902122564.db2.gz FOQUCRZMQGKMMT-GHMZBOCLSA-N 2 1 270.377 -0.798 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001401434761 902122574 /nfs/dbraw/zinc/12/25/74/902122574.db2.gz FOQUCRZMQGKMMT-GHMZBOCLSA-N 2 1 270.377 -0.798 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401434761 902122591 /nfs/dbraw/zinc/12/25/91/902122591.db2.gz FOQUCRZMQGKMMT-GHMZBOCLSA-N 2 1 270.377 -0.798 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401434761 902122601 /nfs/dbraw/zinc/12/26/01/902122601.db2.gz FOQUCRZMQGKMMT-GHMZBOCLSA-N 2 1 270.377 -0.798 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001401435015 902124060 /nfs/dbraw/zinc/12/40/60/902124060.db2.gz GWVPDMWVOQMRNS-QWHCGFSZSA-N 2 1 287.404 -0.664 20 0 CBADMP COC[C@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401435015 902124066 /nfs/dbraw/zinc/12/40/66/902124066.db2.gz GWVPDMWVOQMRNS-QWHCGFSZSA-N 2 1 287.404 -0.664 20 0 CBADMP COC[C@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401435015 902124075 /nfs/dbraw/zinc/12/40/75/902124075.db2.gz GWVPDMWVOQMRNS-QWHCGFSZSA-N 2 1 287.404 -0.664 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001401435021 902125111 /nfs/dbraw/zinc/12/51/11/902125111.db2.gz GWVPDMWVOQMRNS-STQMWFEESA-N 2 1 287.404 -0.664 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401435021 902125117 /nfs/dbraw/zinc/12/51/17/902125117.db2.gz GWVPDMWVOQMRNS-STQMWFEESA-N 2 1 287.404 -0.664 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401435021 902125123 /nfs/dbraw/zinc/12/51/23/902125123.db2.gz GWVPDMWVOQMRNS-STQMWFEESA-N 2 1 287.404 -0.664 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001401498894 902142359 /nfs/dbraw/zinc/14/23/59/902142359.db2.gz RYPLCXIUPZWCNX-VXGBXAGGSA-N 2 1 293.371 -0.449 20 0 CBADMP Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001401570593 902173287 /nfs/dbraw/zinc/17/32/87/902173287.db2.gz ZKYRBNKNYHBIIP-QWHCGFSZSA-N 2 1 295.387 -0.919 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001401601872 902181539 /nfs/dbraw/zinc/18/15/39/902181539.db2.gz FGDMLEFLXRLQBU-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CCn1nncc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001401642050 902202888 /nfs/dbraw/zinc/20/28/88/902202888.db2.gz ZVBXLLAVQZGODW-DGCLKSJQSA-N 2 1 294.403 -0.014 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1nnnn1C ZINC001401669278 902217288 /nfs/dbraw/zinc/21/72/88/902217288.db2.gz JYFBCXRVZFNAFN-GHMZBOCLSA-N 2 1 297.407 -0.294 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1nnnn1C ZINC001401669278 902217304 /nfs/dbraw/zinc/21/73/04/902217304.db2.gz JYFBCXRVZFNAFN-GHMZBOCLSA-N 2 1 297.407 -0.294 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001401679724 902226705 /nfs/dbraw/zinc/22/67/05/902226705.db2.gz GFAVTOSZJWQNGL-YNEHKIRRSA-N 2 1 298.431 -0.055 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001401692005 902234635 /nfs/dbraw/zinc/23/46/35/902234635.db2.gz YQQAFANSROBDPV-GXSJLCMTSA-N 2 1 281.360 -0.580 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001401703068 902240199 /nfs/dbraw/zinc/24/01/99/902240199.db2.gz GETLPKIUDLAUIO-CMPLNLGQSA-N 2 1 297.407 -0.609 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)C[NH+]1CCCC1 ZINC001401718566 902245014 /nfs/dbraw/zinc/24/50/14/902245014.db2.gz AHYARRNZRLSXNY-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001401716505 902245689 /nfs/dbraw/zinc/24/56/89/902245689.db2.gz HLLRWUCDFYMZDZ-AAEUAGOBSA-N 2 1 296.419 -0.004 20 0 CBADMP C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401771244 902268607 /nfs/dbraw/zinc/26/86/07/902268607.db2.gz KCULVKUYWUZLNN-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401771244 902268619 /nfs/dbraw/zinc/26/86/19/902268619.db2.gz KCULVKUYWUZLNN-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001401780468 902271450 /nfs/dbraw/zinc/27/14/50/902271450.db2.gz PYWBSVKVVDHCRM-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001401780468 902271462 /nfs/dbraw/zinc/27/14/62/902271462.db2.gz PYWBSVKVVDHCRM-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@@H](C[N@H+](C)CCO)NC(=O)CC[NH+]1CCOCC1 ZINC001401789886 902272799 /nfs/dbraw/zinc/27/27/99/902272799.db2.gz MQLNVXAJIURTDL-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP C[C@@H](C[N@@H+](C)CCO)NC(=O)CC[NH+]1CCOCC1 ZINC001401789886 902272814 /nfs/dbraw/zinc/27/28/14/902272814.db2.gz MQLNVXAJIURTDL-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001401785903 902274060 /nfs/dbraw/zinc/27/40/60/902274060.db2.gz YZCAOPMJUGSJSM-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001401785903 902274072 /nfs/dbraw/zinc/27/40/72/902274072.db2.gz YZCAOPMJUGSJSM-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001401785903 902274084 /nfs/dbraw/zinc/27/40/84/902274084.db2.gz YZCAOPMJUGSJSM-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001401785903 902274096 /nfs/dbraw/zinc/27/40/96/902274096.db2.gz YZCAOPMJUGSJSM-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCO)C1 ZINC001401809589 902282027 /nfs/dbraw/zinc/28/20/27/902282027.db2.gz VEPFBLCKIREKKS-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCO)C1 ZINC001401809589 902282034 /nfs/dbraw/zinc/28/20/34/902282034.db2.gz VEPFBLCKIREKKS-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCO)C1 ZINC001401809589 902282043 /nfs/dbraw/zinc/28/20/43/902282043.db2.gz VEPFBLCKIREKKS-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCO)C1 ZINC001401809589 902282054 /nfs/dbraw/zinc/28/20/54/902282054.db2.gz VEPFBLCKIREKKS-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP COC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001401934713 902318867 /nfs/dbraw/zinc/31/88/67/902318867.db2.gz HHHMGAAIEGTABR-VXGBXAGGSA-N 2 1 285.388 -0.410 20 0 CBADMP COC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001401934713 902318878 /nfs/dbraw/zinc/31/88/78/902318878.db2.gz HHHMGAAIEGTABR-VXGBXAGGSA-N 2 1 285.388 -0.410 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001401948244 902324420 /nfs/dbraw/zinc/32/44/20/902324420.db2.gz RZLOTXBMZFCFTK-LLVKDONJSA-N 2 1 282.388 -0.416 20 0 CBADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001401972051 902325288 /nfs/dbraw/zinc/32/52/88/902325288.db2.gz LRNSWEZUKPWVKR-NWDGAFQWSA-N 2 1 285.388 -0.674 20 0 CBADMP CCNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001401985098 902331637 /nfs/dbraw/zinc/33/16/37/902331637.db2.gz INYRWVMZUGHETG-UHFFFAOYSA-N 2 1 284.404 -0.299 20 0 CBADMP CCNC(=O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001401979551 902333123 /nfs/dbraw/zinc/33/31/23/902333123.db2.gz QOTOZMWSKJVNDY-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@@H](C)O)CC2)C1 ZINC001401984615 902333375 /nfs/dbraw/zinc/33/33/75/902333375.db2.gz GRMNNOJLUBOIHH-VXGBXAGGSA-N 2 1 285.388 -0.674 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@@H](C)O)CC2)C1 ZINC001401984615 902333384 /nfs/dbraw/zinc/33/33/84/902333384.db2.gz GRMNNOJLUBOIHH-VXGBXAGGSA-N 2 1 285.388 -0.674 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001402141295 902370932 /nfs/dbraw/zinc/37/09/32/902370932.db2.gz UTZMIXFDPMDRDH-IUODEOHRSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001402141295 902370945 /nfs/dbraw/zinc/37/09/45/902370945.db2.gz UTZMIXFDPMDRDH-IUODEOHRSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001402141295 902370955 /nfs/dbraw/zinc/37/09/55/902370955.db2.gz UTZMIXFDPMDRDH-IUODEOHRSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001402141295 902370969 /nfs/dbraw/zinc/37/09/69/902370969.db2.gz UTZMIXFDPMDRDH-IUODEOHRSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@]2(C)CCC[NH+](CC(N)=O)C2)C1 ZINC001402215222 902385781 /nfs/dbraw/zinc/38/57/81/902385781.db2.gz ACWJCHHAQCRTRM-WFASDCNBSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@]2(C)CCC[NH+](CC(N)=O)C2)C1 ZINC001402215222 902385798 /nfs/dbraw/zinc/38/57/98/902385798.db2.gz ACWJCHHAQCRTRM-WFASDCNBSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(C)CCC[N@H+](CC(N)=O)C2)C1 ZINC001402215222 902385810 /nfs/dbraw/zinc/38/58/10/902385810.db2.gz ACWJCHHAQCRTRM-WFASDCNBSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(C)CCC[N@@H+](CC(N)=O)C2)C1 ZINC001402215222 902385823 /nfs/dbraw/zinc/38/58/23/902385823.db2.gz ACWJCHHAQCRTRM-WFASDCNBSA-N 2 1 296.415 -0.358 20 0 CBADMP CCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001402261086 902394812 /nfs/dbraw/zinc/39/48/12/902394812.db2.gz DVCUGEGWGCGHHZ-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001402261086 902394819 /nfs/dbraw/zinc/39/48/19/902394819.db2.gz DVCUGEGWGCGHHZ-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CCCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001402261086 902394832 /nfs/dbraw/zinc/39/48/32/902394832.db2.gz DVCUGEGWGCGHHZ-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CCCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001402261086 902394843 /nfs/dbraw/zinc/39/48/43/902394843.db2.gz DVCUGEGWGCGHHZ-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CO[C@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001402258303 902395220 /nfs/dbraw/zinc/39/52/20/902395220.db2.gz BLOILUWEMIAQOI-TZMCWYRMSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001402297886 902414963 /nfs/dbraw/zinc/41/49/63/902414963.db2.gz YBHXIOQCGKHMQC-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001402297886 902414968 /nfs/dbraw/zinc/41/49/68/902414968.db2.gz YBHXIOQCGKHMQC-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001402297886 902414974 /nfs/dbraw/zinc/41/49/74/902414974.db2.gz YBHXIOQCGKHMQC-OCCSQVGLSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001402314239 902421829 /nfs/dbraw/zinc/42/18/29/902421829.db2.gz LQWPWMFQUDFWAW-STQMWFEESA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001402314226 902422710 /nfs/dbraw/zinc/42/27/10/902422710.db2.gz LQWPWMFQUDFWAW-OLZOCXBDSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCF)CCC2)C1 ZINC001402550804 902474752 /nfs/dbraw/zinc/47/47/52/902474752.db2.gz VXACUANZMHGLRL-NSHDSACASA-N 2 1 273.352 -0.085 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCF)CCC2)C1 ZINC001402550804 902474757 /nfs/dbraw/zinc/47/47/57/902474757.db2.gz VXACUANZMHGLRL-NSHDSACASA-N 2 1 273.352 -0.085 20 0 CBADMP 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 902477557 /nfs/dbraw/zinc/47/75/57/902477557.db2.gz ZHMVXDSUQRGLBT-FDYHWXHSSA-N 2 1 296.415 -0.348 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001402605749 902490985 /nfs/dbraw/zinc/49/09/85/902490985.db2.gz LIFGBAARVDOOHS-UTUOFQBUSA-N 2 1 282.388 -0.689 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1)[NH+](C)C ZINC001402606535 902491446 /nfs/dbraw/zinc/49/14/46/902491446.db2.gz IZEJOWOGUBVHQI-LOWVWBTDSA-N 2 1 294.403 -0.108 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH+](C)[C@H](C)C(N)=O ZINC001402682488 902503172 /nfs/dbraw/zinc/50/31/72/902503172.db2.gz RJDKLMSDMQJBPW-GFCCVEGCSA-N 2 1 286.420 -0.019 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CCC[N@H+](C)[C@H](C)C(N)=O ZINC001402682488 902503178 /nfs/dbraw/zinc/50/31/78/902503178.db2.gz RJDKLMSDMQJBPW-GFCCVEGCSA-N 2 1 286.420 -0.019 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CCC[N@@H+](C)[C@H](C)C(N)=O ZINC001402682488 902503187 /nfs/dbraw/zinc/50/31/87/902503187.db2.gz RJDKLMSDMQJBPW-GFCCVEGCSA-N 2 1 286.420 -0.019 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001402725339 902509298 /nfs/dbraw/zinc/50/92/98/902509298.db2.gz RTEIRTOMIKKZSD-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001402713817 902509786 /nfs/dbraw/zinc/50/97/86/902509786.db2.gz HSBMRIVTWCZGSQ-NWDGAFQWSA-N 2 1 282.388 -0.748 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CCO)CC2)C1 ZINC001402776538 902517752 /nfs/dbraw/zinc/51/77/52/902517752.db2.gz XYUITRIBVFBUPI-LBPRGKRZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CCO)CC2)C1 ZINC001402776538 902517764 /nfs/dbraw/zinc/51/77/64/902517764.db2.gz XYUITRIBVFBUPI-LBPRGKRZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001402775682 902518732 /nfs/dbraw/zinc/51/87/32/902518732.db2.gz AYHUMBZNNKEOTE-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(N)=O)C1 ZINC001402775677 902520007 /nfs/dbraw/zinc/52/00/07/902520007.db2.gz AYHUMBZNNKEOTE-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CNC(=O)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001402810908 902524839 /nfs/dbraw/zinc/52/48/39/902524839.db2.gz FTXARVICRSZMDV-WXRRBKDZSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(N)=O ZINC001402989750 902583500 /nfs/dbraw/zinc/58/35/00/902583500.db2.gz YOLSZPJQZXRXMQ-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(N)=O ZINC001402989750 902583509 /nfs/dbraw/zinc/58/35/09/902583509.db2.gz YOLSZPJQZXRXMQ-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(N)=O ZINC001402989760 902583953 /nfs/dbraw/zinc/58/39/53/902583953.db2.gz YOLSZPJQZXRXMQ-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(N)=O ZINC001402989760 902583960 /nfs/dbraw/zinc/58/39/60/902583960.db2.gz YOLSZPJQZXRXMQ-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001403054679 902602896 /nfs/dbraw/zinc/60/28/96/902602896.db2.gz TUDRAIZSDXKILM-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001403064551 902604592 /nfs/dbraw/zinc/60/45/92/902604592.db2.gz UTLYTTVRNNTFLD-NXEZZACHSA-N 2 1 283.380 -0.855 20 0 CBADMP CO[C@@H](C)C[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001403072596 902609836 /nfs/dbraw/zinc/60/98/36/902609836.db2.gz OVBJZCUJKCPVIF-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)CCCO ZINC001403107938 902615510 /nfs/dbraw/zinc/61/55/10/902615510.db2.gz FJPBBLMUMWDWJW-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)CCCO ZINC001403107938 902615518 /nfs/dbraw/zinc/61/55/18/902615518.db2.gz FJPBBLMUMWDWJW-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+](C)CCCO ZINC001403107938 902615524 /nfs/dbraw/zinc/61/55/24/902615524.db2.gz FJPBBLMUMWDWJW-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)CCCO ZINC001403107938 902615530 /nfs/dbraw/zinc/61/55/30/902615530.db2.gz FJPBBLMUMWDWJW-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001403107120 902617430 /nfs/dbraw/zinc/61/74/30/902617430.db2.gz RXUIPCMPECKQNZ-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001403129747 902624568 /nfs/dbraw/zinc/62/45/68/902624568.db2.gz DJUWMCSNQAKMGF-WDEREUQCSA-N 2 1 295.387 -0.237 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001403198317 902647052 /nfs/dbraw/zinc/64/70/52/902647052.db2.gz BZSSLMHWALSYEI-LBPRGKRZSA-N 2 1 293.371 -0.352 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)C(N)=O ZINC001403230385 902656674 /nfs/dbraw/zinc/65/66/74/902656674.db2.gz PJPSMGJAFZPDEV-MNOVXSKESA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)C(N)=O ZINC001403230385 902656677 /nfs/dbraw/zinc/65/66/77/902656677.db2.gz PJPSMGJAFZPDEV-MNOVXSKESA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001403230385 902656682 /nfs/dbraw/zinc/65/66/82/902656682.db2.gz PJPSMGJAFZPDEV-MNOVXSKESA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001403230385 902656686 /nfs/dbraw/zinc/65/66/86/902656686.db2.gz PJPSMGJAFZPDEV-MNOVXSKESA-N 2 1 272.393 -0.363 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001403270992 902663207 /nfs/dbraw/zinc/66/32/07/902663207.db2.gz FKIKNZWWYJVFSI-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001403325095 902669806 /nfs/dbraw/zinc/66/98/06/902669806.db2.gz MWVIFXKRWZLCDW-LLVKDONJSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001403383311 902682236 /nfs/dbraw/zinc/68/22/36/902682236.db2.gz NGIBSMAHEMTVIN-MNOVXSKESA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001403383311 902682244 /nfs/dbraw/zinc/68/22/44/902682244.db2.gz NGIBSMAHEMTVIN-MNOVXSKESA-N 2 1 284.404 -0.362 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001403404528 902685188 /nfs/dbraw/zinc/68/51/88/902685188.db2.gz FKOFIUSRGWJTCS-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001403475766 902695617 /nfs/dbraw/zinc/69/56/17/902695617.db2.gz CJQRZLFMSGQUIE-VXGBXAGGSA-N 2 1 284.404 -0.301 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403466592 902696787 /nfs/dbraw/zinc/69/67/87/902696787.db2.gz JWAAFJPACUSAPM-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001403468668 902696985 /nfs/dbraw/zinc/69/69/85/902696985.db2.gz VDPPOGSLQOIHQV-VXGBXAGGSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001403522098 902712800 /nfs/dbraw/zinc/71/28/00/902712800.db2.gz HRTROESBKNVAGK-RYUDHWBXSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001403522098 902712807 /nfs/dbraw/zinc/71/28/07/902712807.db2.gz HRTROESBKNVAGK-RYUDHWBXSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001403532538 902714974 /nfs/dbraw/zinc/71/49/74/902714974.db2.gz URXBBJWIDPNTRE-DGCLKSJQSA-N 2 1 294.403 -0.154 20 0 CBADMP CCN1CC[C@H]([N@H+](C)CCNC(=O)CC[NH+](C)CC)C1=O ZINC001403735313 902828206 /nfs/dbraw/zinc/82/82/06/902828206.db2.gz IIJDKNLJPJPDIM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN1CC[C@H]([N@@H+](C)CCNC(=O)CC[NH+](C)CC)C1=O ZINC001403735313 902828215 /nfs/dbraw/zinc/82/82/15/902828215.db2.gz IIJDKNLJPJPDIM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN1CC[C@H]([NH+](C)CCNC(=O)CC[N@H+](C)CC)C1=O ZINC001403735313 902828223 /nfs/dbraw/zinc/82/82/23/902828223.db2.gz IIJDKNLJPJPDIM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN1CC[C@H]([NH+](C)CCNC(=O)CC[N@@H+](C)CC)C1=O ZINC001403735313 902828234 /nfs/dbraw/zinc/82/82/34/902828234.db2.gz IIJDKNLJPJPDIM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001403740392 902831852 /nfs/dbraw/zinc/83/18/52/902831852.db2.gz WFTUPYFHTNMFKK-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)o1 ZINC001403758426 902837878 /nfs/dbraw/zinc/83/78/78/902837878.db2.gz VVWCYBOZVXNISF-GFCCVEGCSA-N 2 1 296.371 -0.354 20 0 CBADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2)[NH+](C)C ZINC001403823318 902861826 /nfs/dbraw/zinc/86/18/26/902861826.db2.gz PXKJNEJSLQZVSS-JMSVASOKSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2)[NH+](C)C ZINC001403823318 902861832 /nfs/dbraw/zinc/86/18/32/902861832.db2.gz PXKJNEJSLQZVSS-JMSVASOKSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H](C)C(N)=O ZINC001403852401 902878964 /nfs/dbraw/zinc/87/89/64/902878964.db2.gz PHPJLZACYJTTJZ-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H](C)C(N)=O ZINC001403852401 902878981 /nfs/dbraw/zinc/87/89/81/902878981.db2.gz PHPJLZACYJTTJZ-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001403881314 902888724 /nfs/dbraw/zinc/88/87/24/902888724.db2.gz OOCHTAUMTPIVIV-KBPBESRZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001403881314 902888736 /nfs/dbraw/zinc/88/87/36/902888736.db2.gz OOCHTAUMTPIVIV-KBPBESRZSA-N 2 1 299.415 -0.474 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001403898508 902896831 /nfs/dbraw/zinc/89/68/31/902896831.db2.gz OUZKNERELGLVHB-LBPRGKRZSA-N 2 1 287.404 -0.786 20 0 CBADMP CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC ZINC001403940796 902910705 /nfs/dbraw/zinc/91/07/05/902910705.db2.gz QHOSCEJZBJOIHV-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC ZINC001403940796 902910716 /nfs/dbraw/zinc/91/07/16/902910716.db2.gz QHOSCEJZBJOIHV-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC ZINC001403940796 902910726 /nfs/dbraw/zinc/91/07/26/902910726.db2.gz QHOSCEJZBJOIHV-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)NC ZINC001403940796 902910731 /nfs/dbraw/zinc/91/07/31/902910731.db2.gz QHOSCEJZBJOIHV-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC ZINC001403940796 902910737 /nfs/dbraw/zinc/91/07/37/902910737.db2.gz QHOSCEJZBJOIHV-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCN1[C@H]1CCNC1=O ZINC001404020405 902925835 /nfs/dbraw/zinc/92/58/35/902925835.db2.gz LHWICDWQMQGQEU-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@H]1CCNC1=O ZINC001404020405 902925845 /nfs/dbraw/zinc/92/58/45/902925845.db2.gz LHWICDWQMQGQEU-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@H]1CCNC1=O ZINC001404020405 902925856 /nfs/dbraw/zinc/92/58/56/902925856.db2.gz LHWICDWQMQGQEU-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001404020405 902925884 /nfs/dbraw/zinc/92/58/84/902925884.db2.gz LHWICDWQMQGQEU-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001404019214 902926768 /nfs/dbraw/zinc/92/67/68/902926768.db2.gz GKDVFFXHJNLRLS-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001404019214 902926773 /nfs/dbraw/zinc/92/67/73/902926773.db2.gz GKDVFFXHJNLRLS-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)CN1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001404019214 902926759 /nfs/dbraw/zinc/92/67/59/902926759.db2.gz GKDVFFXHJNLRLS-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001404019214 902926787 /nfs/dbraw/zinc/92/67/87/902926787.db2.gz GKDVFFXHJNLRLS-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001404098297 902937532 /nfs/dbraw/zinc/93/75/32/902937532.db2.gz ZPVIOOOCCKCUGC-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001404098297 902937546 /nfs/dbraw/zinc/93/75/46/902937546.db2.gz ZPVIOOOCCKCUGC-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404098297 902937554 /nfs/dbraw/zinc/93/75/54/902937554.db2.gz ZPVIOOOCCKCUGC-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001404169290 902952622 /nfs/dbraw/zinc/95/26/22/902952622.db2.gz DMSQASDAOMICQS-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCNC1=O ZINC001404169290 902952631 /nfs/dbraw/zinc/95/26/31/902952631.db2.gz DMSQASDAOMICQS-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC001404169290 902952643 /nfs/dbraw/zinc/95/26/43/902952643.db2.gz DMSQASDAOMICQS-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001404309888 902970984 /nfs/dbraw/zinc/97/09/84/902970984.db2.gz FETCZTSXOBCZKQ-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001404329534 902973571 /nfs/dbraw/zinc/97/35/71/902973571.db2.gz TXFHHKKLIPJCEZ-TUAOUCFPSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@H]([NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)C(N)=O ZINC001404338682 902977650 /nfs/dbraw/zinc/97/76/50/902977650.db2.gz ZVARSZHCITYXKT-NSHDSACASA-N 2 1 272.393 -0.362 20 0 CBADMP CN(C(=O)CC[NH+]1CCOCC1)[C@H]1CC[N@H+](CCCO)C1 ZINC001405136279 903087395 /nfs/dbraw/zinc/08/73/95/903087395.db2.gz ZMMNPAOBKZETGQ-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP CN(C(=O)CC[NH+]1CCOCC1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001405136279 903087409 /nfs/dbraw/zinc/08/74/09/903087409.db2.gz ZMMNPAOBKZETGQ-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001405625935 903190572 /nfs/dbraw/zinc/19/05/72/903190572.db2.gz HQTXIINDMOJRGS-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(N)=O ZINC001405626147 903191318 /nfs/dbraw/zinc/19/13/18/903191318.db2.gz VWEPGTORLCZIEV-ZYHUDNBSSA-N 2 1 293.371 -0.354 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001405711153 903209635 /nfs/dbraw/zinc/20/96/35/903209635.db2.gz AFKAQXCEGZLVPZ-QWRGUYRKSA-N 2 1 272.393 -0.458 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001405717564 903210233 /nfs/dbraw/zinc/21/02/33/903210233.db2.gz LFGBILWEXPMIAZ-NEPJUHHUSA-N 2 1 284.404 -0.443 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cnn(C)n1 ZINC001405739962 903212293 /nfs/dbraw/zinc/21/22/93/903212293.db2.gz HFGACQLFGCJLOB-WCQYABFASA-N 2 1 294.403 -0.249 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001405742167 903212507 /nfs/dbraw/zinc/21/25/07/903212507.db2.gz QOQDNJYCTRSYPX-PWSUYJOCSA-N 2 1 293.371 -0.578 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001405742170 903212625 /nfs/dbraw/zinc/21/26/25/903212625.db2.gz QOQDNJYCTRSYPX-ZYHUDNBSSA-N 2 1 293.371 -0.578 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001405798060 903219454 /nfs/dbraw/zinc/21/94/54/903219454.db2.gz RTJFJUCQAYYUDH-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001405853034 903237573 /nfs/dbraw/zinc/23/75/73/903237573.db2.gz VGZWNODPJAZRJD-DGCLKSJQSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001405853034 903237583 /nfs/dbraw/zinc/23/75/83/903237583.db2.gz VGZWNODPJAZRJD-DGCLKSJQSA-N 2 1 294.403 -0.154 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001405871389 903239988 /nfs/dbraw/zinc/23/99/88/903239988.db2.gz ZBFDFZYXXXGCIU-XQQFMLRXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001405928118 903249735 /nfs/dbraw/zinc/24/97/35/903249735.db2.gz MCSBCYVUUSPWOM-JHJVBQTASA-N 2 1 298.431 -0.068 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001406098906 903270204 /nfs/dbraw/zinc/27/02/04/903270204.db2.gz BZQLOLLHASPQGZ-DGCLKSJQSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001406098906 903270211 /nfs/dbraw/zinc/27/02/11/903270211.db2.gz BZQLOLLHASPQGZ-DGCLKSJQSA-N 2 1 296.415 -0.408 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC)[NH+](C)C ZINC001406153564 903279680 /nfs/dbraw/zinc/27/96/80/903279680.db2.gz KPSHFCKIGAOOFW-RYUDHWBXSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC)[NH+](C)C ZINC001406153564 903279695 /nfs/dbraw/zinc/27/96/95/903279695.db2.gz KPSHFCKIGAOOFW-RYUDHWBXSA-N 2 1 286.420 -0.149 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001406321449 903353450 /nfs/dbraw/zinc/35/34/50/903353450.db2.gz DXGYYYPRFBCQLQ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CNCc1cnn(C)n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001406382356 903381529 /nfs/dbraw/zinc/38/15/29/903381529.db2.gz POZPLWCPOFIPAP-DGCLKSJQSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001406382356 903381563 /nfs/dbraw/zinc/38/15/63/903381563.db2.gz POZPLWCPOFIPAP-DGCLKSJQSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)C[NH+]1CCCC1 ZINC001406438364 903399110 /nfs/dbraw/zinc/39/91/10/903399110.db2.gz YBFQJPJDLMFLTH-MNOVXSKESA-N 2 1 295.391 -0.539 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001406518223 903421617 /nfs/dbraw/zinc/42/16/17/903421617.db2.gz GBTKXUCTUJKFON-RYUDHWBXSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001406520614 903422286 /nfs/dbraw/zinc/42/22/86/903422286.db2.gz QZTMASQDSUNPPA-SRVKXCTJSA-N 2 1 284.404 -0.443 20 0 CBADMP C[C@@H](C[NH2+][C@@H](C)c1nncn1C)NC(=O)CC[NH+](C)C ZINC001406510542 903423309 /nfs/dbraw/zinc/42/33/09/903423309.db2.gz ICBFVKJPKHVNHA-QWRGUYRKSA-N 2 1 282.392 -0.078 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)CCC[NH+](C)C ZINC001406649562 903456429 /nfs/dbraw/zinc/45/64/29/903456429.db2.gz JWKOPXSOLGRWMY-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)CCC[NH+](C)C ZINC001406649562 903456435 /nfs/dbraw/zinc/45/64/35/903456435.db2.gz JWKOPXSOLGRWMY-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP C[C@H](C[N@@H+](C)CCN1CCCC1=O)NC(=O)CC[NH+](C)C ZINC001406648705 903456751 /nfs/dbraw/zinc/45/67/51/903456751.db2.gz ANZINGKBNHFOFL-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406704710 903464833 /nfs/dbraw/zinc/46/48/33/903464833.db2.gz XYUXBDLXKYRZIY-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001406697611 903466945 /nfs/dbraw/zinc/46/69/45/903466945.db2.gz HQEPPRHWPCIPQF-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001406697611 903466960 /nfs/dbraw/zinc/46/69/60/903466960.db2.gz HQEPPRHWPCIPQF-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001406697611 903466973 /nfs/dbraw/zinc/46/69/73/903466973.db2.gz HQEPPRHWPCIPQF-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406697611 903466984 /nfs/dbraw/zinc/46/69/84/903466984.db2.gz HQEPPRHWPCIPQF-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001406871992 903497770 /nfs/dbraw/zinc/49/77/70/903497770.db2.gz GLQGENVJHLPROB-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001407007088 903523910 /nfs/dbraw/zinc/52/39/10/903523910.db2.gz YEUWVDVVSYZKMA-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001406987450 903524260 /nfs/dbraw/zinc/52/42/60/903524260.db2.gz UZOQXNOOAKWDJN-LLVKDONJSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001407006672 903526789 /nfs/dbraw/zinc/52/67/89/903526789.db2.gz MGJKMHMAZZBOBR-NSHDSACASA-N 2 1 282.388 -0.416 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001407369869 903583868 /nfs/dbraw/zinc/58/38/68/903583868.db2.gz SOKJFGVKNHSBEF-DOMZBBRYSA-N 2 1 299.415 -0.738 20 0 CBADMP COCC[N@@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001407375969 903585168 /nfs/dbraw/zinc/58/51/68/903585168.db2.gz SRCDMXLKBFJSNT-AWEZNQCLSA-N 2 1 296.371 -0.609 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001407375969 903585176 /nfs/dbraw/zinc/58/51/76/903585176.db2.gz SRCDMXLKBFJSNT-AWEZNQCLSA-N 2 1 296.371 -0.609 20 0 CBADMP CC[C@H](C(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1)[NH+](C)C ZINC001407631753 903639057 /nfs/dbraw/zinc/63/90/57/903639057.db2.gz RXMZAMJMSDXZMG-OCCSQVGLSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[C@@H](C(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1)[NH+](C)C ZINC001407631747 903640129 /nfs/dbraw/zinc/64/01/29/903640129.db2.gz RXMZAMJMSDXZMG-JSGCOSHPSA-N 2 1 287.404 -0.738 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001407795405 903659628 /nfs/dbraw/zinc/65/96/28/903659628.db2.gz BMTNEJZSONJQGM-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC001407891058 903677211 /nfs/dbraw/zinc/67/72/11/903677211.db2.gz MLMYCLZOYDMMSI-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001407891058 903677222 /nfs/dbraw/zinc/67/72/22/903677222.db2.gz MLMYCLZOYDMMSI-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001407891058 903677231 /nfs/dbraw/zinc/67/72/31/903677231.db2.gz MLMYCLZOYDMMSI-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(N)=O)C1 ZINC001408097481 903708698 /nfs/dbraw/zinc/70/86/98/903708698.db2.gz JDOYHPPWKSWNOC-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)CC[NH+](C)C ZINC001408336231 903752921 /nfs/dbraw/zinc/75/29/21/903752921.db2.gz SCNOSDLXTOZBJT-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CCNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001408499519 903766505 /nfs/dbraw/zinc/76/65/05/903766505.db2.gz TWWQOEMCIPGMEZ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001408574066 903789788 /nfs/dbraw/zinc/78/97/88/903789788.db2.gz BZOYJVYYFGKFSG-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001408574066 903789797 /nfs/dbraw/zinc/78/97/97/903789797.db2.gz BZOYJVYYFGKFSG-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001408574066 903789801 /nfs/dbraw/zinc/78/98/01/903789801.db2.gz BZOYJVYYFGKFSG-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001408595260 903791461 /nfs/dbraw/zinc/79/14/61/903791461.db2.gz SPTKNHSSLCPHNL-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001408595260 903791471 /nfs/dbraw/zinc/79/14/71/903791471.db2.gz SPTKNHSSLCPHNL-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001408595260 903791481 /nfs/dbraw/zinc/79/14/81/903791481.db2.gz SPTKNHSSLCPHNL-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001409413734 903899094 /nfs/dbraw/zinc/89/90/94/903899094.db2.gz YDRFXUQPELRPBW-NEPJUHHUSA-N 2 1 295.387 -0.190 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC(=O)NC1CC1 ZINC001409503440 903912339 /nfs/dbraw/zinc/91/23/39/903912339.db2.gz ILOZJRZDLLLVPQ-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)CC(=O)NC1CC1 ZINC001409503440 903912354 /nfs/dbraw/zinc/91/23/54/903912354.db2.gz ILOZJRZDLLLVPQ-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)CC(=O)NC1CC1 ZINC001409503440 903912365 /nfs/dbraw/zinc/91/23/65/903912365.db2.gz ILOZJRZDLLLVPQ-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)CC(=O)NC1CC1 ZINC001409503440 903912374 /nfs/dbraw/zinc/91/23/74/903912374.db2.gz ILOZJRZDLLLVPQ-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CCn1cncn1 ZINC001409535825 903920135 /nfs/dbraw/zinc/92/01/35/903920135.db2.gz ZQBGWNUEVLRTQI-QWHCGFSZSA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CCn1cncn1 ZINC001409535825 903920146 /nfs/dbraw/zinc/92/01/46/903920146.db2.gz ZQBGWNUEVLRTQI-QWHCGFSZSA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CCn1cncn1 ZINC001409535825 903920154 /nfs/dbraw/zinc/92/01/54/903920154.db2.gz ZQBGWNUEVLRTQI-QWHCGFSZSA-N 2 1 294.403 -0.191 20 0 CBADMP COC[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001409573398 903930099 /nfs/dbraw/zinc/93/00/99/903930099.db2.gz BYHZMDZCXWABPE-YPMHNXCESA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001409573398 903930115 /nfs/dbraw/zinc/93/01/15/903930115.db2.gz BYHZMDZCXWABPE-YPMHNXCESA-N 2 1 298.387 -0.365 20 0 CBADMP CCCC[C@@H](C[NH2+]CC(=O)NC)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001409844601 903973980 /nfs/dbraw/zinc/97/39/80/903973980.db2.gz OWSMBIUTWHLWSA-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CCCC[C@@H](C[NH2+]CC(=O)NC)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001409844588 903975539 /nfs/dbraw/zinc/97/55/39/903975539.db2.gz OWSMBIUTWHLWSA-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001410329248 904067486 /nfs/dbraw/zinc/06/74/86/904067486.db2.gz WKLPWEOWFYSWFR-AAEUAGOBSA-N 2 1 296.415 -0.360 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410336871 904071424 /nfs/dbraw/zinc/07/14/24/904071424.db2.gz WGGGLHCKHOEXRM-STQMWFEESA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001410477713 904104274 /nfs/dbraw/zinc/10/42/74/904104274.db2.gz BLIUYLUCDCUFHP-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001410478475 904104583 /nfs/dbraw/zinc/10/45/83/904104583.db2.gz ULAHTFBXOFMDQM-NSHDSACASA-N 2 1 297.407 -0.512 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001410478475 904104590 /nfs/dbraw/zinc/10/45/90/904104590.db2.gz ULAHTFBXOFMDQM-NSHDSACASA-N 2 1 297.407 -0.512 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCC2)C1 ZINC001410589198 904137239 /nfs/dbraw/zinc/13/72/39/904137239.db2.gz YAMOQECRUXKRBG-STQMWFEESA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCC2)C1 ZINC001410589198 904137245 /nfs/dbraw/zinc/13/72/45/904137245.db2.gz YAMOQECRUXKRBG-STQMWFEESA-N 2 1 285.388 -0.816 20 0 CBADMP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001411042738 904227321 /nfs/dbraw/zinc/22/73/21/904227321.db2.gz LXWUMPZKAAEDQH-AAEUAGOBSA-N 2 1 287.404 -0.740 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCO)CC[N@H+]1C ZINC001411171587 904253350 /nfs/dbraw/zinc/25/33/50/904253350.db2.gz RFZUTKSALTVDKZ-JHJVBQTASA-N 2 1 287.404 -0.930 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCO)CC[NH+]1C ZINC001411171587 904253369 /nfs/dbraw/zinc/25/33/69/904253369.db2.gz RFZUTKSALTVDKZ-JHJVBQTASA-N 2 1 287.404 -0.930 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)CC[NH+]1C ZINC001411171587 904253387 /nfs/dbraw/zinc/25/33/87/904253387.db2.gz RFZUTKSALTVDKZ-JHJVBQTASA-N 2 1 287.404 -0.930 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C1CC([NH2+]CC(=O)NC)C1 ZINC001411277364 904276431 /nfs/dbraw/zinc/27/64/31/904276431.db2.gz KLESIKHENAAXKX-UHFFFAOYSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH+]1CCC(OCC(=O)N[C@H](CO)Cc2cnc[nH]2)CC1 ZINC001412488673 904591472 /nfs/dbraw/zinc/59/14/72/904591472.db2.gz MOJBHFHRGUYUAN-LBPRGKRZSA-N 2 1 296.371 -0.460 20 0 CBADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC001412835566 904747840 /nfs/dbraw/zinc/74/78/40/904747840.db2.gz FLVABWHUHQMBTM-DZGCQCFKSA-N 2 1 298.431 -0.805 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC001412995183 904852759 /nfs/dbraw/zinc/85/27/59/904852759.db2.gz LCAHOJLSLWRLNU-TZMCWYRMSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC001412995183 904852781 /nfs/dbraw/zinc/85/27/81/904852781.db2.gz LCAHOJLSLWRLNU-TZMCWYRMSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC001412995183 904852797 /nfs/dbraw/zinc/85/27/97/904852797.db2.gz LCAHOJLSLWRLNU-TZMCWYRMSA-N 2 1 271.405 -0.560 20 0 CBADMP COC(=O)[C@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CC[NH+](C)C1 ZINC001413004281 904861204 /nfs/dbraw/zinc/86/12/04/904861204.db2.gz APQFDUJFLMMJTC-OCCSQVGLSA-N 2 1 299.415 -0.522 20 0 CBADMP COC(=O)[C@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CC[NH+](C)C1 ZINC001413004311 904863543 /nfs/dbraw/zinc/86/35/43/904863543.db2.gz APQFDUJFLMMJTC-TZMCWYRMSA-N 2 1 299.415 -0.522 20 0 CBADMP CC(C)(O)[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001413029838 904875315 /nfs/dbraw/zinc/87/53/15/904875315.db2.gz GWHYNGSZFACIBF-OLZOCXBDSA-N 2 1 272.389 -0.351 20 0 CBADMP CC(C)(O)[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001413029838 904875335 /nfs/dbraw/zinc/87/53/35/904875335.db2.gz GWHYNGSZFACIBF-OLZOCXBDSA-N 2 1 272.389 -0.351 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)[C@H]1CCC[NH+]1C ZINC001415238349 905584898 /nfs/dbraw/zinc/58/48/98/905584898.db2.gz DTWIDCRVOCELCK-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001415238349 905584908 /nfs/dbraw/zinc/58/49/08/905584908.db2.gz DTWIDCRVOCELCK-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001415238349 905584913 /nfs/dbraw/zinc/58/49/13/905584913.db2.gz DTWIDCRVOCELCK-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001415572934 905642831 /nfs/dbraw/zinc/64/28/31/905642831.db2.gz GPSHTBDPFQNWSR-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001415572934 905642836 /nfs/dbraw/zinc/64/28/36/905642836.db2.gz GPSHTBDPFQNWSR-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001415572934 905642846 /nfs/dbraw/zinc/64/28/46/905642846.db2.gz GPSHTBDPFQNWSR-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)N1CC(NC(=O)C[N@@H+](C)C(C)C)C1)[NH+](C)C ZINC001416005216 905692010 /nfs/dbraw/zinc/69/20/10/905692010.db2.gz HZBZGXGOCNMMLV-ZDUSSCGKSA-N 2 1 298.431 -0.006 20 0 CBADMP C[NH+](C)CCC(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001416126593 905715978 /nfs/dbraw/zinc/71/59/78/905715978.db2.gz OAGZNTGKLQOYHJ-CYBMUJFWSA-N 2 1 296.415 -0.536 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001417245711 905881616 /nfs/dbraw/zinc/88/16/16/905881616.db2.gz PNJQOGFTVYHDBI-CYBMUJFWSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCO)C(=O)COC1CC[NH+](C)CC1 ZINC001417748593 906037881 /nfs/dbraw/zinc/03/78/81/906037881.db2.gz VHCKHZIRMIRJEG-CYBMUJFWSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)COC1CC[NH+](C)CC1 ZINC001417748598 906039276 /nfs/dbraw/zinc/03/92/76/906039276.db2.gz VHCKHZIRMIRJEG-ZDUSSCGKSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001417794362 906056036 /nfs/dbraw/zinc/05/60/36/906056036.db2.gz MBMHNPVNCFMZLC-IHRRRGAJSA-N 2 1 299.415 -0.426 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001417850796 906070447 /nfs/dbraw/zinc/07/04/47/906070447.db2.gz WIISPOZPRPGORF-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001417850796 906070455 /nfs/dbraw/zinc/07/04/55/906070455.db2.gz WIISPOZPRPGORF-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCN2CCN(CCF)CC2)C1 ZINC001417928714 906109827 /nfs/dbraw/zinc/10/98/27/906109827.db2.gz LTAHOJVVALERLZ-ZDUSSCGKSA-N 2 1 286.395 -0.359 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001417936345 906117179 /nfs/dbraw/zinc/11/71/79/906117179.db2.gz ZDPGXRJZOCLYBM-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001417936345 906117185 /nfs/dbraw/zinc/11/71/85/906117185.db2.gz ZDPGXRJZOCLYBM-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001417936345 906117196 /nfs/dbraw/zinc/11/71/96/906117196.db2.gz ZDPGXRJZOCLYBM-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001417936345 906117203 /nfs/dbraw/zinc/11/72/03/906117203.db2.gz ZDPGXRJZOCLYBM-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001417945785 906119773 /nfs/dbraw/zinc/11/97/73/906119773.db2.gz PRZVAFKNTVCJMC-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001417945785 906119777 /nfs/dbraw/zinc/11/97/77/906119777.db2.gz PRZVAFKNTVCJMC-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001417953738 906124408 /nfs/dbraw/zinc/12/44/08/906124408.db2.gz MNWREPYLDUFFCW-QWHCGFSZSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001417953738 906124416 /nfs/dbraw/zinc/12/44/16/906124416.db2.gz MNWREPYLDUFFCW-QWHCGFSZSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001417953738 906124422 /nfs/dbraw/zinc/12/44/22/906124422.db2.gz MNWREPYLDUFFCW-QWHCGFSZSA-N 2 1 287.404 -0.476 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001418052553 906147862 /nfs/dbraw/zinc/14/78/62/906147862.db2.gz XJXYHJXABQGYRL-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418121425 906175927 /nfs/dbraw/zinc/17/59/27/906175927.db2.gz DOPRVFODBDYJKP-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001418165635 906185506 /nfs/dbraw/zinc/18/55/06/906185506.db2.gz QZXXWGSQVCJJIQ-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP 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 906190180 /nfs/dbraw/zinc/19/01/80/906190180.db2.gz BFSQAHIBLCGEFG-DGTMBMJNSA-N 2 1 283.416 0.000 20 0 CBADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001418225563 906224024 /nfs/dbraw/zinc/22/40/24/906224024.db2.gz ANHJMHJSMPFUDO-WDEREUQCSA-N 2 1 295.387 -0.024 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001418233292 906228856 /nfs/dbraw/zinc/22/88/56/906228856.db2.gz XJMFFIYJIDUMDV-SDDRHHMPSA-N 2 1 284.404 -0.443 20 0 CBADMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001418244502 906238602 /nfs/dbraw/zinc/23/86/02/906238602.db2.gz YQAMERCNXZWLNO-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001418255238 906241814 /nfs/dbraw/zinc/24/18/14/906241814.db2.gz CXFCPHBDIRZTFR-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001418296906 906268016 /nfs/dbraw/zinc/26/80/16/906268016.db2.gz CHTPHZGXSNRAGC-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001418315700 906277056 /nfs/dbraw/zinc/27/70/56/906277056.db2.gz JWVWEKNPZOBSJS-QWRGUYRKSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001418315700 906277067 /nfs/dbraw/zinc/27/70/67/906277067.db2.gz JWVWEKNPZOBSJS-QWRGUYRKSA-N 2 1 280.376 -0.639 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCNC1=O ZINC001418467401 906348672 /nfs/dbraw/zinc/34/86/72/906348672.db2.gz BGNRULWJGGGUJL-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCNC1=O ZINC001418467401 906348677 /nfs/dbraw/zinc/34/86/77/906348677.db2.gz BGNRULWJGGGUJL-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CCNC1=O ZINC001418467401 906348686 /nfs/dbraw/zinc/34/86/86/906348686.db2.gz BGNRULWJGGGUJL-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CCNC1=O ZINC001418467401 906348695 /nfs/dbraw/zinc/34/86/95/906348695.db2.gz BGNRULWJGGGUJL-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001418461386 906348746 /nfs/dbraw/zinc/34/87/46/906348746.db2.gz OSPNLNXQDQCVIG-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001418461386 906348751 /nfs/dbraw/zinc/34/87/51/906348751.db2.gz OSPNLNXQDQCVIG-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001418461386 906348757 /nfs/dbraw/zinc/34/87/57/906348757.db2.gz OSPNLNXQDQCVIG-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001418461386 906348764 /nfs/dbraw/zinc/34/87/64/906348764.db2.gz OSPNLNXQDQCVIG-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CCNC(=O)C[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418566900 906412654 /nfs/dbraw/zinc/41/26/54/906412654.db2.gz RDXMGIYSOZULIF-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[N@@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418566900 906412663 /nfs/dbraw/zinc/41/26/63/906412663.db2.gz RDXMGIYSOZULIF-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@H](C)C(N)=O ZINC001418632740 906432736 /nfs/dbraw/zinc/43/27/36/906432736.db2.gz GCLOSKLRPZCVIR-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@H](C)C(N)=O ZINC001418632740 906432741 /nfs/dbraw/zinc/43/27/41/906432741.db2.gz GCLOSKLRPZCVIR-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001418632740 906432747 /nfs/dbraw/zinc/43/27/47/906432747.db2.gz GCLOSKLRPZCVIR-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001418632740 906432753 /nfs/dbraw/zinc/43/27/53/906432753.db2.gz GCLOSKLRPZCVIR-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001418665013 906442582 /nfs/dbraw/zinc/44/25/82/906442582.db2.gz HIKJPDPIMKQVKL-PHIMTYICSA-N 2 1 270.377 -0.704 20 0 CBADMP C[C@@H](CC[NH+](C)C)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001418747841 906462493 /nfs/dbraw/zinc/46/24/93/906462493.db2.gz MZXLCDCKLWPHEI-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001418798109 906474808 /nfs/dbraw/zinc/47/48/08/906474808.db2.gz OQJJFHIZAFZMDF-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001418798109 906474815 /nfs/dbraw/zinc/47/48/15/906474815.db2.gz OQJJFHIZAFZMDF-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001418798109 906474819 /nfs/dbraw/zinc/47/48/19/906474819.db2.gz OQJJFHIZAFZMDF-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001418798109 906474827 /nfs/dbraw/zinc/47/48/27/906474827.db2.gz OQJJFHIZAFZMDF-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+](CCO)C1CC1 ZINC001418815257 906484054 /nfs/dbraw/zinc/48/40/54/906484054.db2.gz VQSZKVVADVRWHK-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001418836244 906492697 /nfs/dbraw/zinc/49/26/97/906492697.db2.gz YHLTXGKCENAMAZ-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001418836264 906495660 /nfs/dbraw/zinc/49/56/60/906495660.db2.gz YHLTXGKCENAMAZ-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)CCC(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001419032268 906570408 /nfs/dbraw/zinc/57/04/08/906570408.db2.gz GUDNQLAHINMNJH-GFCCVEGCSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001419065276 906583217 /nfs/dbraw/zinc/58/32/17/906583217.db2.gz WMRXBWALIHTWDE-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001419065276 906583226 /nfs/dbraw/zinc/58/32/26/906583226.db2.gz WMRXBWALIHTWDE-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001419097283 906596013 /nfs/dbraw/zinc/59/60/13/906596013.db2.gz JWEBSWMEDYXYFS-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001419097283 906596024 /nfs/dbraw/zinc/59/60/24/906596024.db2.gz JWEBSWMEDYXYFS-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001419097283 906596034 /nfs/dbraw/zinc/59/60/34/906596034.db2.gz JWEBSWMEDYXYFS-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001419097283 906596047 /nfs/dbraw/zinc/59/60/47/906596047.db2.gz JWEBSWMEDYXYFS-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001419121541 906604048 /nfs/dbraw/zinc/60/40/48/906604048.db2.gz LWFYADHUAOTUOW-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001419121541 906604053 /nfs/dbraw/zinc/60/40/53/906604053.db2.gz LWFYADHUAOTUOW-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001419182908 906634344 /nfs/dbraw/zinc/63/43/44/906634344.db2.gz WMRXBWALIHTWDE-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001419182908 906634356 /nfs/dbraw/zinc/63/43/56/906634356.db2.gz WMRXBWALIHTWDE-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+][C@@H](CC)C(N)=O ZINC001419218970 906640045 /nfs/dbraw/zinc/64/00/45/906640045.db2.gz ORBMNHWXKZUJDU-RYUDHWBXSA-N 2 1 295.387 -0.060 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001419315269 906661261 /nfs/dbraw/zinc/66/12/61/906661261.db2.gz AKQKONQKDQFKOU-DGCLKSJQSA-N 2 1 298.431 -0.055 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]CC(N)=O ZINC001419472743 906697782 /nfs/dbraw/zinc/69/77/82/906697782.db2.gz VGXPCZACULASFU-JTQLQIEISA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]CC(=O)N(C)C ZINC001419490116 906703666 /nfs/dbraw/zinc/70/36/66/906703666.db2.gz YFRGUXYMZGWPEW-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001419572565 906731525 /nfs/dbraw/zinc/73/15/25/906731525.db2.gz SNWMYWNAQMHBLE-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001419575897 906731780 /nfs/dbraw/zinc/73/17/80/906731780.db2.gz YAXHANWOPHGNRK-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001419676074 906764640 /nfs/dbraw/zinc/76/46/40/906764640.db2.gz PRZLQUOGJYSZSW-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001419765927 906808045 /nfs/dbraw/zinc/80/80/45/906808045.db2.gz AJSRXYIOJPMFID-CHWSQXEVSA-N 2 1 294.403 -0.143 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001419766023 906808477 /nfs/dbraw/zinc/80/84/77/906808477.db2.gz MQWDPUZCDUKARN-WDEREUQCSA-N 2 1 272.393 -0.363 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419799667 906814794 /nfs/dbraw/zinc/81/47/94/906814794.db2.gz RZRGOFZQHNVHCA-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001419782133 906815741 /nfs/dbraw/zinc/81/57/41/906815741.db2.gz XVKPSWILIFYUPG-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+][C@H](C)C(N)=O ZINC001419857476 906837031 /nfs/dbraw/zinc/83/70/31/906837031.db2.gz YFQGBSAVIMMOSC-GHMZBOCLSA-N 2 1 286.420 -0.068 20 0 CBADMP C[C@@H]([NH2+][C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001419857485 906837392 /nfs/dbraw/zinc/83/73/92/906837392.db2.gz YFQGBSAVIMMOSC-WDEREUQCSA-N 2 1 286.420 -0.068 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001419891701 906849154 /nfs/dbraw/zinc/84/91/54/906849154.db2.gz CNCWJDXDLWVVHP-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001419904805 906855827 /nfs/dbraw/zinc/85/58/27/906855827.db2.gz QIXKUZLEPKARTD-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cnnn1C ZINC001419934154 906865782 /nfs/dbraw/zinc/86/57/82/906865782.db2.gz JMZPUSNXWZYSJB-LLVKDONJSA-N 2 1 282.392 -0.250 20 0 CBADMP COC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001419963190 906871457 /nfs/dbraw/zinc/87/14/57/906871457.db2.gz XUXREMBTJJCSJQ-CHWSQXEVSA-N 2 1 287.404 -0.258 20 0 CBADMP COC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001419963190 906871466 /nfs/dbraw/zinc/87/14/66/906871466.db2.gz XUXREMBTJJCSJQ-CHWSQXEVSA-N 2 1 287.404 -0.258 20 0 CBADMP COC[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001419963190 906871469 /nfs/dbraw/zinc/87/14/69/906871469.db2.gz XUXREMBTJJCSJQ-CHWSQXEVSA-N 2 1 287.404 -0.258 20 0 CBADMP COC[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001419963190 906871471 /nfs/dbraw/zinc/87/14/71/906871471.db2.gz XUXREMBTJJCSJQ-CHWSQXEVSA-N 2 1 287.404 -0.258 20 0 CBADMP Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001420117749 906952544 /nfs/dbraw/zinc/95/25/44/906952544.db2.gz XWWHDGAZSORBAR-DGCLKSJQSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001420117749 906952552 /nfs/dbraw/zinc/95/25/52/906952552.db2.gz XWWHDGAZSORBAR-DGCLKSJQSA-N 2 1 296.371 -0.356 20 0 CBADMP CO[C@H](C)C[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001420194250 907006964 /nfs/dbraw/zinc/00/69/64/907006964.db2.gz GSFAUESVMVZIPO-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP CO[C@H](C)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001420194250 907006985 /nfs/dbraw/zinc/00/69/85/907006985.db2.gz GSFAUESVMVZIPO-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP CO[C@H](C)C[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001420194250 907007002 /nfs/dbraw/zinc/00/70/02/907007002.db2.gz GSFAUESVMVZIPO-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP CO[C@H](C)C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001420194250 907007015 /nfs/dbraw/zinc/00/70/15/907007015.db2.gz GSFAUESVMVZIPO-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP CO[C@@H](C)C[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001420194246 907010528 /nfs/dbraw/zinc/01/05/28/907010528.db2.gz GSFAUESVMVZIPO-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP CO[C@@H](C)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001420194246 907010542 /nfs/dbraw/zinc/01/05/42/907010542.db2.gz GSFAUESVMVZIPO-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP CO[C@@H](C)C[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001420194246 907010556 /nfs/dbraw/zinc/01/05/56/907010556.db2.gz GSFAUESVMVZIPO-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP CO[C@@H](C)C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001420194246 907010570 /nfs/dbraw/zinc/01/05/70/907010570.db2.gz GSFAUESVMVZIPO-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP CN1CC[C@H]([N@H+](C)CCNC(=O)CCC[NH+](C)C)C1=O ZINC001420296224 907079201 /nfs/dbraw/zinc/07/92/01/907079201.db2.gz WLRIHGHGFKPEKM-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCNC(=O)CCC[NH+](C)C)C1=O ZINC001420296224 907079218 /nfs/dbraw/zinc/07/92/18/907079218.db2.gz WLRIHGHGFKPEKM-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CN1CC[C@@H]([N@H+](C)CCNC(=O)CCC[NH+](C)C)C1=O ZINC001420296222 907080863 /nfs/dbraw/zinc/08/08/63/907080863.db2.gz WLRIHGHGFKPEKM-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCNC(=O)CCC[NH+](C)C)C1=O ZINC001420296222 907080881 /nfs/dbraw/zinc/08/08/81/907080881.db2.gz WLRIHGHGFKPEKM-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC(C)N1CC[C@@H]([N@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001420291650 907081547 /nfs/dbraw/zinc/08/15/47/907081547.db2.gz UKYPRKYUJMOYQX-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)N1CC[C@@H]([N@@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001420291650 907081564 /nfs/dbraw/zinc/08/15/64/907081564.db2.gz UKYPRKYUJMOYQX-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001420342210 907108989 /nfs/dbraw/zinc/10/89/89/907108989.db2.gz RHESFUWCVGYKEZ-LLVKDONJSA-N 2 1 295.387 -0.153 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001420341940 907109731 /nfs/dbraw/zinc/10/97/31/907109731.db2.gz YGWNNKVSVWTCDZ-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001420341940 907109745 /nfs/dbraw/zinc/10/97/45/907109745.db2.gz YGWNNKVSVWTCDZ-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001420364622 907122406 /nfs/dbraw/zinc/12/24/06/907122406.db2.gz FQQHMIYNEAYYII-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCNC1=O ZINC001420401331 907142888 /nfs/dbraw/zinc/14/28/88/907142888.db2.gz VNFHMMPPOVGKHF-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001420432990 907160774 /nfs/dbraw/zinc/16/07/74/907160774.db2.gz BAYRAGHDIIWZSZ-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001420511228 907186070 /nfs/dbraw/zinc/18/60/70/907186070.db2.gz SFNPQYZUNJUKRQ-VHSXEESVSA-N 2 1 281.360 -0.580 20 0 CBADMP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001420508718 907187845 /nfs/dbraw/zinc/18/78/45/907187845.db2.gz SDEUEIQJBUUICP-VHSXEESVSA-N 2 1 283.380 -0.855 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001420520887 907194666 /nfs/dbraw/zinc/19/46/66/907194666.db2.gz XCQXLYHNLBOLAA-NWDGAFQWSA-N 2 1 284.404 -0.301 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001420550571 907207638 /nfs/dbraw/zinc/20/76/38/907207638.db2.gz AMPKSVNNYYJVHT-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001420550571 907207659 /nfs/dbraw/zinc/20/76/59/907207659.db2.gz AMPKSVNNYYJVHT-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001420550571 907207675 /nfs/dbraw/zinc/20/76/75/907207675.db2.gz AMPKSVNNYYJVHT-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP COCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001420562165 907207751 /nfs/dbraw/zinc/20/77/51/907207751.db2.gz PTGXSXVSPRGTGW-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001420562165 907207770 /nfs/dbraw/zinc/20/77/70/907207770.db2.gz PTGXSXVSPRGTGW-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001420562165 907207792 /nfs/dbraw/zinc/20/77/92/907207792.db2.gz PTGXSXVSPRGTGW-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001420562165 907207812 /nfs/dbraw/zinc/20/78/12/907207812.db2.gz PTGXSXVSPRGTGW-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001420555100 907208998 /nfs/dbraw/zinc/20/89/98/907208998.db2.gz WZIJROOTFOADQD-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001420555100 907209010 /nfs/dbraw/zinc/20/90/10/907209010.db2.gz WZIJROOTFOADQD-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001420555100 907209024 /nfs/dbraw/zinc/20/90/24/907209024.db2.gz WZIJROOTFOADQD-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001420602365 907229547 /nfs/dbraw/zinc/22/95/47/907229547.db2.gz APTDCBOVISLTSJ-YPMHNXCESA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001420602365 907229561 /nfs/dbraw/zinc/22/95/61/907229561.db2.gz APTDCBOVISLTSJ-YPMHNXCESA-N 2 1 298.387 -0.365 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCCN(CC(N)=O)C2CC2)CC[N@H+]1C ZINC001420671003 907261223 /nfs/dbraw/zinc/26/12/23/907261223.db2.gz KNRLDGDGDQPDEL-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH+](CC(N)=O)C2CC2)CC[N@@H+]1C ZINC001420671003 907261235 /nfs/dbraw/zinc/26/12/35/907261235.db2.gz KNRLDGDGDQPDEL-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH+](CC(N)=O)C2CC2)CC[N@H+]1C ZINC001420671003 907261246 /nfs/dbraw/zinc/26/12/46/907261246.db2.gz KNRLDGDGDQPDEL-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[N@H+](CC(N)=O)C2CC2)CC[NH+]1C ZINC001420671003 907261256 /nfs/dbraw/zinc/26/12/56/907261256.db2.gz KNRLDGDGDQPDEL-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[N@@H+](CC(N)=O)C2CC2)CC[NH+]1C ZINC001420671003 907261264 /nfs/dbraw/zinc/26/12/64/907261264.db2.gz KNRLDGDGDQPDEL-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001420679640 907264447 /nfs/dbraw/zinc/26/44/47/907264447.db2.gz RRAQPYLPCHVOSP-NWDGAFQWSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001420679640 907264461 /nfs/dbraw/zinc/26/44/61/907264461.db2.gz RRAQPYLPCHVOSP-NWDGAFQWSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001420679640 907264474 /nfs/dbraw/zinc/26/44/74/907264474.db2.gz RRAQPYLPCHVOSP-NWDGAFQWSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001420679640 907264487 /nfs/dbraw/zinc/26/44/87/907264487.db2.gz RRAQPYLPCHVOSP-NWDGAFQWSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001420679643 907264671 /nfs/dbraw/zinc/26/46/71/907264671.db2.gz RRAQPYLPCHVOSP-RYUDHWBXSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001420679643 907264684 /nfs/dbraw/zinc/26/46/84/907264684.db2.gz RRAQPYLPCHVOSP-RYUDHWBXSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001420679643 907264698 /nfs/dbraw/zinc/26/46/98/907264698.db2.gz RRAQPYLPCHVOSP-RYUDHWBXSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001420679643 907264713 /nfs/dbraw/zinc/26/47/13/907264713.db2.gz RRAQPYLPCHVOSP-RYUDHWBXSA-N 2 1 286.420 -0.102 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001420958294 907370660 /nfs/dbraw/zinc/37/06/60/907370660.db2.gz RLMMPISAAZHHAE-SNVBAGLBSA-N 2 1 296.371 -0.031 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001502017564 921319082 /nfs/dbraw/zinc/31/90/82/921319082.db2.gz OKWKYCVKNYUFSW-GFCCVEGCSA-N 2 1 269.389 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC(=O)N(C)C)CC1 ZINC001420995090 907384184 /nfs/dbraw/zinc/38/41/84/907384184.db2.gz NIRUZUURUMGSMP-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001421244285 907471553 /nfs/dbraw/zinc/47/15/53/907471553.db2.gz BRODZRFFZHFDGE-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001421244285 907471560 /nfs/dbraw/zinc/47/15/60/907471560.db2.gz BRODZRFFZHFDGE-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001421244285 907471567 /nfs/dbraw/zinc/47/15/67/907471567.db2.gz BRODZRFFZHFDGE-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001421337171 907502211 /nfs/dbraw/zinc/50/22/11/907502211.db2.gz LFSHYOYTASJLQY-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001421337171 907502220 /nfs/dbraw/zinc/50/22/20/907502220.db2.gz LFSHYOYTASJLQY-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001421337171 907502229 /nfs/dbraw/zinc/50/22/29/907502229.db2.gz LFSHYOYTASJLQY-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001421337171 907502235 /nfs/dbraw/zinc/50/22/35/907502235.db2.gz LFSHYOYTASJLQY-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](CC3CC3)C2)C1 ZINC001421383848 907514402 /nfs/dbraw/zinc/51/44/02/907514402.db2.gz DIEMDDOPPRQIKZ-DZGCQCFKSA-N 2 1 281.400 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@H+](CC3CC3)C2)C1 ZINC001421383848 907514407 /nfs/dbraw/zinc/51/44/07/907514407.db2.gz DIEMDDOPPRQIKZ-DZGCQCFKSA-N 2 1 281.400 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CC3CC3)C2)C1 ZINC001421383848 907514419 /nfs/dbraw/zinc/51/44/19/907514419.db2.gz DIEMDDOPPRQIKZ-DZGCQCFKSA-N 2 1 281.400 -0.099 20 0 CBADMP COCC[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001421387326 907521150 /nfs/dbraw/zinc/52/11/50/907521150.db2.gz JSYHAPNHAYULFK-AWEZNQCLSA-N 2 1 296.371 -0.609 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001421387326 907521166 /nfs/dbraw/zinc/52/11/66/907521166.db2.gz JSYHAPNHAYULFK-AWEZNQCLSA-N 2 1 296.371 -0.609 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)[NH2+]CC(N)=O ZINC001421421367 907539489 /nfs/dbraw/zinc/53/94/89/907539489.db2.gz NQGJKXUUHPHUJA-NWDGAFQWSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)[NH2+]CC(N)=O ZINC001421421380 907540386 /nfs/dbraw/zinc/54/03/86/907540386.db2.gz NQGJKXUUHPHUJA-VXGBXAGGSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(N)=O ZINC001421425067 907543049 /nfs/dbraw/zinc/54/30/49/907543049.db2.gz YJLSJTVIHPQVQX-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP CN(C[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CC(F)(F)F ZINC001421487740 907564272 /nfs/dbraw/zinc/56/42/72/907564272.db2.gz XKZYKOSADHUBQG-AXFHLTTASA-N 2 1 281.322 -0.007 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)C[NH+](CCC3CC3)C2)C1 ZINC001421499173 907567315 /nfs/dbraw/zinc/56/73/15/907567315.db2.gz LADXMGCYFIGBHJ-CYBMUJFWSA-N 2 1 281.400 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2(O)C[NH+](CCC3CC3)C2)C1 ZINC001421499173 907567332 /nfs/dbraw/zinc/56/73/32/907567332.db2.gz LADXMGCYFIGBHJ-CYBMUJFWSA-N 2 1 281.400 -0.099 20 0 CBADMP CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]CC(=O)N(C)C ZINC001421493065 907569338 /nfs/dbraw/zinc/56/93/38/907569338.db2.gz DEHHAONJJDHMEH-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(=O)NC)C1 ZINC001421531716 907576011 /nfs/dbraw/zinc/57/60/11/907576011.db2.gz XKTYJLOBQWOIJK-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001421551624 907579772 /nfs/dbraw/zinc/57/97/72/907579772.db2.gz VCXZTVQDSHOIJX-JQWIXIFHSA-N 2 1 293.371 -0.497 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001421570348 907580654 /nfs/dbraw/zinc/58/06/54/907580654.db2.gz HZQOFAMLPZLQCB-SDDRHHMPSA-N 2 1 282.388 -0.798 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001421626442 907594936 /nfs/dbraw/zinc/59/49/36/907594936.db2.gz QVOPIWCADPCGJX-GXTWGEPZSA-N 2 1 287.404 -0.738 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001421847918 907657467 /nfs/dbraw/zinc/65/74/67/907657467.db2.gz SUINRGKJWMJCJN-GFCCVEGCSA-N 2 1 296.415 -0.025 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001421915166 907677588 /nfs/dbraw/zinc/67/75/88/907677588.db2.gz VWICLBLZWACQQH-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001421915171 907677804 /nfs/dbraw/zinc/67/78/04/907677804.db2.gz VWICLBLZWACQQH-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001502135092 921343869 /nfs/dbraw/zinc/34/38/69/921343869.db2.gz GXLCYMZUPGHYQX-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)C[NH+]1CCCC1 ZINC001421981823 907696977 /nfs/dbraw/zinc/69/69/77/907696977.db2.gz BRBOELGYHJZXDU-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421992746 907697863 /nfs/dbraw/zinc/69/78/63/907697863.db2.gz PRUFCXUCQJOOBD-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421996807 907699236 /nfs/dbraw/zinc/69/92/36/907699236.db2.gz XESDDAMMNAXMIG-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001422040972 907707340 /nfs/dbraw/zinc/70/73/40/907707340.db2.gz GHLDVEKYIRJWCF-STQMWFEESA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001422040972 907707352 /nfs/dbraw/zinc/70/73/52/907707352.db2.gz GHLDVEKYIRJWCF-STQMWFEESA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]([NH2+][C@H]1CCNC1=O)C(C)C ZINC001422128105 907721859 /nfs/dbraw/zinc/72/18/59/907721859.db2.gz BQPLCDQUPFHNJK-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@@H](C)C(N)=O ZINC001422135762 907724738 /nfs/dbraw/zinc/72/47/38/907724738.db2.gz NLVPYXFXVFFPFJ-NWDGAFQWSA-N 2 1 286.420 -0.069 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001502205507 921348114 /nfs/dbraw/zinc/34/81/14/921348114.db2.gz AKBVWIKCROBLEQ-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001422207326 907745658 /nfs/dbraw/zinc/74/56/58/907745658.db2.gz XYYMBXSNEOTWGD-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001422207326 907745663 /nfs/dbraw/zinc/74/56/63/907745663.db2.gz XYYMBXSNEOTWGD-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nccs1 ZINC001422264821 907765688 /nfs/dbraw/zinc/76/56/88/907765688.db2.gz LVZKMBUXNQIGBZ-MNOVXSKESA-N 2 1 298.412 -0.196 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nccs1 ZINC001422264821 907765695 /nfs/dbraw/zinc/76/56/95/907765695.db2.gz LVZKMBUXNQIGBZ-MNOVXSKESA-N 2 1 298.412 -0.196 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001422436813 907856524 /nfs/dbraw/zinc/85/65/24/907856524.db2.gz KEUSATFENWAUOO-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)Cn1c[nH+]cc1C ZINC001422436908 907857971 /nfs/dbraw/zinc/85/79/71/907857971.db2.gz BECCUEDFCIRWHS-LLVKDONJSA-N 2 1 281.360 -0.497 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001422449172 907864851 /nfs/dbraw/zinc/86/48/51/907864851.db2.gz JQLCFNCCTGVAJN-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001422539842 907913449 /nfs/dbraw/zinc/91/34/49/907913449.db2.gz DDFYNTYKQKGRNF-UPJWGTAASA-N 2 1 296.415 -0.156 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001422553255 907918905 /nfs/dbraw/zinc/91/89/05/907918905.db2.gz PROZPNCZAUFYQC-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001422553255 907918912 /nfs/dbraw/zinc/91/89/12/907918912.db2.gz PROZPNCZAUFYQC-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)CCC[NH+](C)C ZINC001422547954 907919794 /nfs/dbraw/zinc/91/97/94/907919794.db2.gz HCOUHAFGLAWSJR-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001422557081 907924624 /nfs/dbraw/zinc/92/46/24/907924624.db2.gz AFKIJKYFLGEDGX-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001422584063 907932372 /nfs/dbraw/zinc/93/23/72/907932372.db2.gz UPWXGCZKJQHYND-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C(N)=O ZINC001422617394 907944570 /nfs/dbraw/zinc/94/45/70/907944570.db2.gz KABDDUUQZLDKBH-GHMZBOCLSA-N 2 1 272.393 -0.315 20 0 CBADMP COCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001502600560 921371272 /nfs/dbraw/zinc/37/12/72/921371272.db2.gz XJHZXCWGOGHEFB-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CCCO)C2)C1 ZINC001502599470 921372141 /nfs/dbraw/zinc/37/21/41/921372141.db2.gz ADYOIWBVWBGXFE-UKRRQHHQSA-N 2 1 299.415 -0.736 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001422882705 908044690 /nfs/dbraw/zinc/04/46/90/908044690.db2.gz ZTAKVVGZGRYXCA-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001422882705 908044699 /nfs/dbraw/zinc/04/46/99/908044699.db2.gz ZTAKVVGZGRYXCA-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001422882705 908044711 /nfs/dbraw/zinc/04/47/11/908044711.db2.gz ZTAKVVGZGRYXCA-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001422882705 908044722 /nfs/dbraw/zinc/04/47/22/908044722.db2.gz ZTAKVVGZGRYXCA-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001422913344 908056891 /nfs/dbraw/zinc/05/68/91/908056891.db2.gz BAQGTZFLCBWIFK-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001422913344 908056904 /nfs/dbraw/zinc/05/69/04/908056904.db2.gz BAQGTZFLCBWIFK-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001422913344 908056912 /nfs/dbraw/zinc/05/69/12/908056912.db2.gz BAQGTZFLCBWIFK-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001422913344 908056924 /nfs/dbraw/zinc/05/69/24/908056924.db2.gz BAQGTZFLCBWIFK-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001422931226 908057572 /nfs/dbraw/zinc/05/75/72/908057572.db2.gz UBTBDOYMUFXKFN-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001422931226 908057583 /nfs/dbraw/zinc/05/75/83/908057583.db2.gz UBTBDOYMUFXKFN-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422931226 908057595 /nfs/dbraw/zinc/05/75/95/908057595.db2.gz UBTBDOYMUFXKFN-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422931226 908057603 /nfs/dbraw/zinc/05/76/03/908057603.db2.gz UBTBDOYMUFXKFN-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@H]1CCCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001422929378 908058218 /nfs/dbraw/zinc/05/82/18/908058218.db2.gz GGZLMTDQLAHICH-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001422925182 908058638 /nfs/dbraw/zinc/05/86/38/908058638.db2.gz ABUBEXBZLTUZHS-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001422925182 908058653 /nfs/dbraw/zinc/05/86/53/908058653.db2.gz ABUBEXBZLTUZHS-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001423037210 908086685 /nfs/dbraw/zinc/08/66/85/908086685.db2.gz FHTGVEQDDZZCPM-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001423131273 908119360 /nfs/dbraw/zinc/11/93/60/908119360.db2.gz JJZRRBXDRSPGDZ-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001423131273 908119365 /nfs/dbraw/zinc/11/93/65/908119365.db2.gz JJZRRBXDRSPGDZ-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001423169033 908125827 /nfs/dbraw/zinc/12/58/27/908125827.db2.gz HBSOAZYSPSPOTF-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001423182719 908137303 /nfs/dbraw/zinc/13/73/03/908137303.db2.gz TZFCLOCNSHBEBM-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP Cc1oncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001423188408 908141334 /nfs/dbraw/zinc/14/13/34/908141334.db2.gz HHOMIUBDAFCECQ-STQMWFEESA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1oncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001423188408 908141337 /nfs/dbraw/zinc/14/13/37/908141337.db2.gz HHOMIUBDAFCECQ-STQMWFEESA-N 2 1 296.371 -0.356 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001423239012 908173798 /nfs/dbraw/zinc/17/37/98/908173798.db2.gz CMLMGTUDSHBGGY-RYUDHWBXSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001423239016 908174065 /nfs/dbraw/zinc/17/40/65/908174065.db2.gz CMLMGTUDSHBGGY-VXGBXAGGSA-N 2 1 296.415 -0.027 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1 ZINC001423287971 908191796 /nfs/dbraw/zinc/19/17/96/908191796.db2.gz GAZFLUUTEPTRGR-JTQLQIEISA-N 2 1 270.377 -0.560 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001423305643 908198581 /nfs/dbraw/zinc/19/85/81/908198581.db2.gz WYULQCWYJFLLKG-UHFFFAOYSA-N 2 1 279.344 -0.824 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CC[NH+](C)C ZINC001423354670 908209629 /nfs/dbraw/zinc/20/96/29/908209629.db2.gz NJESWJRWSCNQHR-VXGBXAGGSA-N 2 1 294.403 -0.154 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001423493139 908255872 /nfs/dbraw/zinc/25/58/72/908255872.db2.gz VWEPGTORLCZIEV-PWSUYJOCSA-N 2 1 293.371 -0.354 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001423493134 908258571 /nfs/dbraw/zinc/25/85/71/908258571.db2.gz VWEPGTORLCZIEV-JQWIXIFHSA-N 2 1 293.371 -0.354 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423532216 908275219 /nfs/dbraw/zinc/27/52/19/908275219.db2.gz JHZLMQNWAVFXMM-ZDUSSCGKSA-N 2 1 299.415 -0.520 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCCO ZINC001423547382 908279393 /nfs/dbraw/zinc/27/93/93/908279393.db2.gz MBWXHSYTZRKOIX-ZDUSSCGKSA-N 2 1 298.387 -0.675 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO ZINC001423547382 908279409 /nfs/dbraw/zinc/27/94/09/908279409.db2.gz MBWXHSYTZRKOIX-ZDUSSCGKSA-N 2 1 298.387 -0.675 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001423780851 908328987 /nfs/dbraw/zinc/32/89/87/908328987.db2.gz ZRGGDSUBCHJBAM-CQSZACIVSA-N 2 1 296.371 -0.873 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001423780851 908328999 /nfs/dbraw/zinc/32/89/99/908328999.db2.gz ZRGGDSUBCHJBAM-CQSZACIVSA-N 2 1 296.371 -0.873 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001423795392 908336020 /nfs/dbraw/zinc/33/60/20/908336020.db2.gz ANLFOONSWUOAQC-CQSZACIVSA-N 2 1 285.388 -0.982 20 0 CBADMP CC(C)[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001423799985 908336774 /nfs/dbraw/zinc/33/67/74/908336774.db2.gz ZESJIFZHTLRJGI-OAHLLOKOSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001423799985 908336788 /nfs/dbraw/zinc/33/67/88/908336788.db2.gz ZESJIFZHTLRJGI-OAHLLOKOSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001423948233 908377015 /nfs/dbraw/zinc/37/70/15/908377015.db2.gz MMDAWWSWNDDKKP-STQMWFEESA-N 2 1 298.431 -0.112 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001424304715 908440992 /nfs/dbraw/zinc/44/09/92/908440992.db2.gz FOANPNJLUSWBAO-UHFFFAOYSA-N 2 1 286.420 -0.193 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC(C[NH2+][C@H]2CCNC2=O)C1 ZINC001424758264 908501939 /nfs/dbraw/zinc/50/19/39/908501939.db2.gz ZLNQVVHXYLPRFJ-BPCQOVAHSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]CC(N)=O ZINC001424802386 908509884 /nfs/dbraw/zinc/50/98/84/908509884.db2.gz GYMBSDFVTRWXED-GHMZBOCLSA-N 2 1 286.420 -0.068 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001424837886 908512467 /nfs/dbraw/zinc/51/24/67/908512467.db2.gz GNHVPPBXVFAYAB-ZJUUUORDSA-N 2 1 281.360 -0.580 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH+](C)CCO)C1 ZINC001425070160 908566910 /nfs/dbraw/zinc/56/69/10/908566910.db2.gz NZZAAHFUCTWRQE-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH+](C)CCO)C1 ZINC001425070160 908566919 /nfs/dbraw/zinc/56/69/19/908566919.db2.gz NZZAAHFUCTWRQE-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H](C)[N@H+](C)CCO)C1 ZINC001425070160 908566929 /nfs/dbraw/zinc/56/69/29/908566929.db2.gz NZZAAHFUCTWRQE-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCO)C1 ZINC001425070160 908566935 /nfs/dbraw/zinc/56/69/35/908566935.db2.gz NZZAAHFUCTWRQE-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H](NC(=O)CCC[NH+](C)C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001425246979 908591936 /nfs/dbraw/zinc/59/19/36/908591936.db2.gz CURXBNHSTCHXJT-GHMZBOCLSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](NC(=O)CC[NH+]1CCOCC1)C1C[NH+](CCO)C1 ZINC001425251233 908596508 /nfs/dbraw/zinc/59/65/08/908596508.db2.gz IMYSRHLSCVMQOF-GFCCVEGCSA-N 2 1 285.388 -0.863 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001505462332 921426382 /nfs/dbraw/zinc/42/63/82/921426382.db2.gz OOFVCOHEUNMCNH-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001505462332 921426389 /nfs/dbraw/zinc/42/63/89/921426389.db2.gz OOFVCOHEUNMCNH-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001505462332 921426394 /nfs/dbraw/zinc/42/63/94/921426394.db2.gz OOFVCOHEUNMCNH-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001505462332 921426404 /nfs/dbraw/zinc/42/64/04/921426404.db2.gz OOFVCOHEUNMCNH-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001425378387 908634723 /nfs/dbraw/zinc/63/47/23/908634723.db2.gz OZLORCFCTPTSIX-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CNC(=O)C[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001425378387 908634730 /nfs/dbraw/zinc/63/47/30/908634730.db2.gz OZLORCFCTPTSIX-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001505462331 921427480 /nfs/dbraw/zinc/42/74/80/921427480.db2.gz OOFVCOHEUNMCNH-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001505462331 921427485 /nfs/dbraw/zinc/42/74/85/921427485.db2.gz OOFVCOHEUNMCNH-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001505462331 921427490 /nfs/dbraw/zinc/42/74/90/921427490.db2.gz OOFVCOHEUNMCNH-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001505462331 921427498 /nfs/dbraw/zinc/42/74/98/921427498.db2.gz OOFVCOHEUNMCNH-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(=O)N(C)C ZINC001425580603 908676850 /nfs/dbraw/zinc/67/68/50/908676850.db2.gz PUZUMIOVJKUSLV-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001425663039 908687104 /nfs/dbraw/zinc/68/71/04/908687104.db2.gz PQONOSBZOGEFIP-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001425656560 908687500 /nfs/dbraw/zinc/68/75/00/908687500.db2.gz OJXZYBLKTANZQO-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001425663031 908687615 /nfs/dbraw/zinc/68/76/15/908687615.db2.gz PQONOSBZOGEFIP-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001425681607 908690570 /nfs/dbraw/zinc/69/05/70/908690570.db2.gz NEPSVPJIPCKYAQ-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001425666298 908691053 /nfs/dbraw/zinc/69/10/53/908691053.db2.gz UVFUGVIPJCGSAM-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001505529104 921434782 /nfs/dbraw/zinc/43/47/82/921434782.db2.gz BUVDXFCDAKFQNU-VOMCLLRMSA-N 2 1 282.388 -0.702 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CC(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001505528857 921435408 /nfs/dbraw/zinc/43/54/08/921435408.db2.gz SVHOSZKHPORXQO-UNXYVOJBSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]Cc2ncnn2C)CN1C(=O)CC[NH+](C)C ZINC001425914699 908777564 /nfs/dbraw/zinc/77/75/64/908777564.db2.gz WNSMNMCAPZSXJZ-NEPJUHHUSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001425953463 908785676 /nfs/dbraw/zinc/78/56/76/908785676.db2.gz CFWDKOASCBNHOB-RYUDHWBXSA-N 2 1 284.404 -0.314 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001426076894 908825658 /nfs/dbraw/zinc/82/56/58/908825658.db2.gz KLUGHLXWQYPZTQ-UONOGXRCSA-N 2 1 299.415 -0.928 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001505760784 921478529 /nfs/dbraw/zinc/47/85/29/921478529.db2.gz OYYXZGQIYKXXAR-RYUDHWBXSA-N 2 1 286.420 -0.102 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)CC[NH+](C)C)C1 ZINC001429472467 909246855 /nfs/dbraw/zinc/24/68/55/909246855.db2.gz USWMPXATWWTJGG-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001429483945 909249059 /nfs/dbraw/zinc/24/90/59/909249059.db2.gz XYOAVNYSCQRCHQ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001429483945 909249070 /nfs/dbraw/zinc/24/90/70/909249070.db2.gz XYOAVNYSCQRCHQ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001429483945 909249084 /nfs/dbraw/zinc/24/90/84/909249084.db2.gz XYOAVNYSCQRCHQ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CC(N)=O ZINC001505920444 921502050 /nfs/dbraw/zinc/50/20/50/921502050.db2.gz MUWDSLLZBFIWFO-JQWIXIFHSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@@H+](C)CC(N)=O ZINC001505920444 921502062 /nfs/dbraw/zinc/50/20/62/921502062.db2.gz MUWDSLLZBFIWFO-JQWIXIFHSA-N 2 1 282.388 -0.750 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001505989581 921516593 /nfs/dbraw/zinc/51/65/93/921516593.db2.gz WVJWCOXYLLUBCY-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001505989581 921516604 /nfs/dbraw/zinc/51/66/04/921516604.db2.gz WVJWCOXYLLUBCY-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@]3(O)CCOC3)C2)CC1 ZINC001433667432 909810013 /nfs/dbraw/zinc/81/00/13/909810013.db2.gz AFUUCHYXPWSJQL-IUODEOHRSA-N 2 1 297.399 -0.578 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@]3(O)CCOC3)C2)CC1 ZINC001433667432 909810026 /nfs/dbraw/zinc/81/00/26/909810026.db2.gz AFUUCHYXPWSJQL-IUODEOHRSA-N 2 1 297.399 -0.578 20 0 CBADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](CO)[C@H](CCO)C1)C1CC1 ZINC001434497596 910238039 /nfs/dbraw/zinc/23/80/39/910238039.db2.gz LKDNCOXTFCNWEB-BZPMIXESSA-N 2 1 272.389 -0.636 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](CO)[C@H](CCO)C1)C1CC1 ZINC001434497596 910238052 /nfs/dbraw/zinc/23/80/52/910238052.db2.gz LKDNCOXTFCNWEB-BZPMIXESSA-N 2 1 272.389 -0.636 20 0 CBADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](CO)[C@H](CCO)C1)C1CC1 ZINC001434497596 910238066 /nfs/dbraw/zinc/23/80/66/910238066.db2.gz LKDNCOXTFCNWEB-BZPMIXESSA-N 2 1 272.389 -0.636 20 0 CBADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H](CO)[C@H](CCO)C1)C1CC1 ZINC001434497596 910238078 /nfs/dbraw/zinc/23/80/78/910238078.db2.gz LKDNCOXTFCNWEB-BZPMIXESSA-N 2 1 272.389 -0.636 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001436398531 910437635 /nfs/dbraw/zinc/43/76/35/910437635.db2.gz VFHIBFRSNJFGHL-SRVKXCTJSA-N 2 1 282.388 -0.702 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001436731142 910477695 /nfs/dbraw/zinc/47/76/95/910477695.db2.gz RGFYMAGHAWQHHD-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001436731142 910477703 /nfs/dbraw/zinc/47/77/03/910477703.db2.gz RGFYMAGHAWQHHD-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436729786 910478842 /nfs/dbraw/zinc/47/88/42/910478842.db2.gz FOTVIVMGSGYSEM-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436729786 910478850 /nfs/dbraw/zinc/47/88/50/910478850.db2.gz FOTVIVMGSGYSEM-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001436825278 910493167 /nfs/dbraw/zinc/49/31/67/910493167.db2.gz HHANCZUJKPUTQZ-DGCLKSJQSA-N 2 1 296.415 -0.441 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001436884622 910500589 /nfs/dbraw/zinc/50/05/89/910500589.db2.gz FVHDZKUUAJHLRO-ZDEQEGDKSA-N 2 1 285.388 -0.411 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001436884622 910500606 /nfs/dbraw/zinc/50/06/06/910500606.db2.gz FVHDZKUUAJHLRO-ZDEQEGDKSA-N 2 1 285.388 -0.411 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001436884619 910503307 /nfs/dbraw/zinc/50/33/07/910503307.db2.gz FVHDZKUUAJHLRO-FDYHWXHSSA-N 2 1 285.388 -0.411 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001436884619 910503316 /nfs/dbraw/zinc/50/33/16/910503316.db2.gz FVHDZKUUAJHLRO-FDYHWXHSSA-N 2 1 285.388 -0.411 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001436925888 910509577 /nfs/dbraw/zinc/50/95/77/910509577.db2.gz JWKNVBVJLZHRGK-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001436940781 910512795 /nfs/dbraw/zinc/51/27/95/910512795.db2.gz AFKHKPPKVCBNPZ-FRRDWIJNSA-N 2 1 296.415 -0.156 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001436955224 910518071 /nfs/dbraw/zinc/51/80/71/910518071.db2.gz XUFRMNRRYGLEIE-FRRDWIJNSA-N 2 1 296.415 -0.158 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001437043783 910533326 /nfs/dbraw/zinc/53/33/26/910533326.db2.gz ZHPFVKAJJYKAPE-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001437043783 910533339 /nfs/dbraw/zinc/53/33/39/910533339.db2.gz ZHPFVKAJJYKAPE-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)C1 ZINC001437043783 910533355 /nfs/dbraw/zinc/53/33/55/910533355.db2.gz ZHPFVKAJJYKAPE-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)C1 ZINC001437043783 910533371 /nfs/dbraw/zinc/53/33/71/910533371.db2.gz ZHPFVKAJJYKAPE-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001437199540 910581899 /nfs/dbraw/zinc/58/18/99/910581899.db2.gz CSBADRDNAXBOPL-GHMZBOCLSA-N 2 1 270.377 -0.832 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001437199545 910582796 /nfs/dbraw/zinc/58/27/96/910582796.db2.gz CSBADRDNAXBOPL-MNOVXSKESA-N 2 1 270.377 -0.832 20 0 CBADMP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ncnn1C ZINC001437237901 910597671 /nfs/dbraw/zinc/59/76/71/910597671.db2.gz PKYATQFAKSYUAN-NSHDSACASA-N 2 1 292.387 -0.495 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccnn1C ZINC001437258410 910600506 /nfs/dbraw/zinc/60/05/06/910600506.db2.gz HHGCCHIVJQWGHF-RYUDHWBXSA-N 2 1 279.388 -0.034 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001437299072 910609287 /nfs/dbraw/zinc/60/92/87/910609287.db2.gz DXFAXDPWNZTEON-STQMWFEESA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001437343749 910617814 /nfs/dbraw/zinc/61/78/14/910617814.db2.gz CGKMCZZQQGUFBT-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001437343749 910617828 /nfs/dbraw/zinc/61/78/28/910617828.db2.gz CGKMCZZQQGUFBT-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001437416600 910629184 /nfs/dbraw/zinc/62/91/84/910629184.db2.gz FEQKUXAPGXEXLK-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001437560333 910682845 /nfs/dbraw/zinc/68/28/45/910682845.db2.gz DMYWNZORISHAQQ-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001437560333 910682850 /nfs/dbraw/zinc/68/28/50/910682850.db2.gz DMYWNZORISHAQQ-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001437542187 910683235 /nfs/dbraw/zinc/68/32/35/910683235.db2.gz SKXKBSXJTWOZSA-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001437542187 910683240 /nfs/dbraw/zinc/68/32/40/910683240.db2.gz SKXKBSXJTWOZSA-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)CC(N)=O ZINC001437596775 910693948 /nfs/dbraw/zinc/69/39/48/910693948.db2.gz KUXMDYLDBJQKEA-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)CC(N)=O ZINC001437596775 910693958 /nfs/dbraw/zinc/69/39/58/910693958.db2.gz KUXMDYLDBJQKEA-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)CC(N)=O ZINC001437596775 910693964 /nfs/dbraw/zinc/69/39/64/910693964.db2.gz KUXMDYLDBJQKEA-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)CC(N)=O ZINC001437596775 910693971 /nfs/dbraw/zinc/69/39/71/910693971.db2.gz KUXMDYLDBJQKEA-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001437683924 910721875 /nfs/dbraw/zinc/72/18/75/910721875.db2.gz VLRZVQWOLPNYHR-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001437683924 910721883 /nfs/dbraw/zinc/72/18/83/910721883.db2.gz VLRZVQWOLPNYHR-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@H](O)C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001437778730 910739425 /nfs/dbraw/zinc/73/94/25/910739425.db2.gz BEUHNNFWMZTXOR-AAEUAGOBSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@H](O)C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001437778730 910739434 /nfs/dbraw/zinc/73/94/34/910739434.db2.gz BEUHNNFWMZTXOR-AAEUAGOBSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@H](O)C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001437778730 910739446 /nfs/dbraw/zinc/73/94/46/910739446.db2.gz BEUHNNFWMZTXOR-AAEUAGOBSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@H](O)C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001437778730 910739455 /nfs/dbraw/zinc/73/94/55/910739455.db2.gz BEUHNNFWMZTXOR-AAEUAGOBSA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[N@@H+](CCNC(=O)CC[NH+](C)C)[C@H]1CCNC1=O ZINC001437757646 910742670 /nfs/dbraw/zinc/74/26/70/910742670.db2.gz CCJKJXKLXJVLAF-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC ZINC001437768050 910745372 /nfs/dbraw/zinc/74/53/72/910745372.db2.gz MWVPGXHEGIBGAP-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C)C(=O)NC ZINC001437768050 910745381 /nfs/dbraw/zinc/74/53/81/910745381.db2.gz MWVPGXHEGIBGAP-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC ZINC001437768050 910745392 /nfs/dbraw/zinc/74/53/92/910745392.db2.gz MWVPGXHEGIBGAP-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O)[NH+](C)C ZINC001437791712 910747962 /nfs/dbraw/zinc/74/79/62/910747962.db2.gz IENFXNQKSAFLEJ-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O)[NH+](C)C ZINC001437791712 910747971 /nfs/dbraw/zinc/74/79/71/910747971.db2.gz IENFXNQKSAFLEJ-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CCC(C(=O)NCC[N@H+](CC(N)=O)C2CC2)CC1 ZINC001437809443 910749674 /nfs/dbraw/zinc/74/96/74/910749674.db2.gz QAFXJXUHCNMKFA-UHFFFAOYSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC(C(=O)NCC[N@@H+](CC(N)=O)C2CC2)CC1 ZINC001437809443 910749691 /nfs/dbraw/zinc/74/96/91/910749691.db2.gz QAFXJXUHCNMKFA-UHFFFAOYSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1nncn1C ZINC001437840907 910768928 /nfs/dbraw/zinc/76/89/28/910768928.db2.gz HJAKFCQCBSJMEA-VXGBXAGGSA-N 2 1 294.403 -0.124 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)c1nncn1C ZINC001437840907 910768942 /nfs/dbraw/zinc/76/89/42/910768942.db2.gz HJAKFCQCBSJMEA-VXGBXAGGSA-N 2 1 294.403 -0.124 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)CC(N)=O)C2)CC[N@H+]1C ZINC001437972238 910786103 /nfs/dbraw/zinc/78/61/03/910786103.db2.gz BBXDZVBNNGYSFO-FRRDWIJNSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[N@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC001437972238 910786120 /nfs/dbraw/zinc/78/61/20/910786120.db2.gz BBXDZVBNNGYSFO-FRRDWIJNSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC001437972238 910786136 /nfs/dbraw/zinc/78/61/36/910786136.db2.gz BBXDZVBNNGYSFO-FRRDWIJNSA-N 2 1 296.415 -0.408 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001438146379 910832015 /nfs/dbraw/zinc/83/20/15/910832015.db2.gz PHWOJSLNEYHMMI-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001438146379 910832030 /nfs/dbraw/zinc/83/20/30/910832030.db2.gz PHWOJSLNEYHMMI-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]CC(N)=O ZINC001438503416 910909897 /nfs/dbraw/zinc/90/98/97/910909897.db2.gz KPYVFIMFXLKQEN-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cn(C)nn1 ZINC001438548199 910918559 /nfs/dbraw/zinc/91/85/59/910918559.db2.gz PVKAUWTWIVSPLK-RYUDHWBXSA-N 2 1 294.403 -0.391 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001438723829 910960995 /nfs/dbraw/zinc/96/09/95/910960995.db2.gz RKNFNUNZEJQEAT-JTQLQIEISA-N 2 1 281.360 -0.626 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001438718519 910963549 /nfs/dbraw/zinc/96/35/49/910963549.db2.gz YHVVGDIHMOHSHC-VXGBXAGGSA-N 2 1 286.420 -0.102 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001438843075 910978760 /nfs/dbraw/zinc/97/87/60/910978760.db2.gz SSERMMUPHUYBIF-CHWSQXEVSA-N 2 1 298.431 -0.243 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001438898867 910992674 /nfs/dbraw/zinc/99/26/74/910992674.db2.gz HMSMZNPVGXDKOO-WDEREUQCSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001438898867 910992690 /nfs/dbraw/zinc/99/26/90/910992690.db2.gz HMSMZNPVGXDKOO-WDEREUQCSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001438898867 910992703 /nfs/dbraw/zinc/99/27/03/910992703.db2.gz HMSMZNPVGXDKOO-WDEREUQCSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001438898867 910992719 /nfs/dbraw/zinc/99/27/19/910992719.db2.gz HMSMZNPVGXDKOO-WDEREUQCSA-N 2 1 270.377 -0.655 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001438964549 911019845 /nfs/dbraw/zinc/01/98/45/911019845.db2.gz PDBWCNOVFCDGEL-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001438964553 911022163 /nfs/dbraw/zinc/02/21/63/911022163.db2.gz PDBWCNOVFCDGEL-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439048007 911072986 /nfs/dbraw/zinc/07/29/86/911072986.db2.gz TVMQOBHCXUXNHR-NEPJUHHUSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)no1 ZINC001439048055 911075339 /nfs/dbraw/zinc/07/53/39/911075339.db2.gz TWORQZTZUOODAF-AAEUAGOBSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)no1 ZINC001439048055 911075357 /nfs/dbraw/zinc/07/53/57/911075357.db2.gz TWORQZTZUOODAF-AAEUAGOBSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CC[NH2+][C@@H](C)C(N)=O ZINC001439067466 911082848 /nfs/dbraw/zinc/08/28/48/911082848.db2.gz DXUPYAHTRNXEAU-ZJUUUORDSA-N 2 1 281.360 -0.450 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(CC)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001439081090 911086682 /nfs/dbraw/zinc/08/66/82/911086682.db2.gz FMIWFTZOGSYXES-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H]([NH2+]CCN(CC)C(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001439078721 911091018 /nfs/dbraw/zinc/09/10/18/911091018.db2.gz OFCNJGMQRLUBFB-LBPRGKRZSA-N 2 1 295.387 -0.106 20 0 CBADMP CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001439099654 911102078 /nfs/dbraw/zinc/10/20/78/911102078.db2.gz FIYOKIVOHJIWMU-YPMHNXCESA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001439099654 911102094 /nfs/dbraw/zinc/10/20/94/911102094.db2.gz FIYOKIVOHJIWMU-YPMHNXCESA-N 2 1 294.403 -0.014 20 0 CBADMP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001506907246 921640207 /nfs/dbraw/zinc/64/02/07/921640207.db2.gz ZOUQDHYKRAKQPS-CYDGBPFRSA-N 2 1 296.415 -0.314 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439372097 911193007 /nfs/dbraw/zinc/19/30/07/911193007.db2.gz RCXGGYOEUARRGN-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439372097 911193014 /nfs/dbraw/zinc/19/30/14/911193014.db2.gz RCXGGYOEUARRGN-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@@H](C)C(=O)NC ZINC001439390772 911200846 /nfs/dbraw/zinc/20/08/46/911200846.db2.gz WIJUAHLPQLIKDI-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@@H](C)C(=O)NC ZINC001439390772 911200858 /nfs/dbraw/zinc/20/08/58/911200858.db2.gz WIJUAHLPQLIKDI-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(=O)NC ZINC001439390772 911200876 /nfs/dbraw/zinc/20/08/76/911200876.db2.gz WIJUAHLPQLIKDI-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)NC ZINC001439390772 911200890 /nfs/dbraw/zinc/20/08/90/911200890.db2.gz WIJUAHLPQLIKDI-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC(=O)N2CCC2)CC1 ZINC001439658817 911270141 /nfs/dbraw/zinc/27/01/41/911270141.db2.gz BSZKKCVRUSYPFO-UHFFFAOYSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001439953837 911315810 /nfs/dbraw/zinc/31/58/10/911315810.db2.gz KPDVGQDEYJMROO-CYBMUJFWSA-N 2 1 299.415 -0.282 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001440010366 911345994 /nfs/dbraw/zinc/34/59/94/911345994.db2.gz MOLLSXVRZZBMJI-WFASDCNBSA-N 2 1 299.415 -0.738 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(CO)CCC[NH+](CCCO)C1 ZINC001440163804 911397058 /nfs/dbraw/zinc/39/70/58/911397058.db2.gz LQCVDNPHTYQFCC-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@]1(CO)CCC[NH+](CCCO)C1 ZINC001440163804 911397074 /nfs/dbraw/zinc/39/70/74/911397074.db2.gz LQCVDNPHTYQFCC-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@]1(CO)CCC[N@H+](CCCO)C1 ZINC001440163804 911397094 /nfs/dbraw/zinc/39/70/94/911397094.db2.gz LQCVDNPHTYQFCC-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001440163804 911397100 /nfs/dbraw/zinc/39/71/00/911397100.db2.gz LQCVDNPHTYQFCC-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@H]([NH2+][C@@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001440300587 911424450 /nfs/dbraw/zinc/42/44/50/911424450.db2.gz GKVNFDSWIVJUQP-ZDEQEGDKSA-N 2 1 296.415 -0.314 20 0 CBADMP C[NH+](C)CCC(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001440368731 911437610 /nfs/dbraw/zinc/43/76/10/911437610.db2.gz DMGREHYVOLSTCK-GFCCVEGCSA-N 2 1 297.359 -0.662 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001440374925 911441771 /nfs/dbraw/zinc/44/17/71/911441771.db2.gz LBGIJHHLJQGUML-OCCSQVGLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CCOCC1 ZINC001440578572 911476303 /nfs/dbraw/zinc/47/63/03/911476303.db2.gz WGKZMOUYQQYREU-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCOCC1 ZINC001440578572 911476307 /nfs/dbraw/zinc/47/63/07/911476307.db2.gz WGKZMOUYQQYREU-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP CNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001440613020 911479989 /nfs/dbraw/zinc/47/99/89/911479989.db2.gz JHPCXVYJDZYEAK-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@H](C)[NH2+]CCO)C1 ZINC001440677862 911488521 /nfs/dbraw/zinc/48/85/21/911488521.db2.gz LKZGKGLIAOALLD-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@H](C)[NH2+]CCO)C1 ZINC001440677862 911488532 /nfs/dbraw/zinc/48/85/32/911488532.db2.gz LKZGKGLIAOALLD-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001440722886 911499057 /nfs/dbraw/zinc/49/90/57/911499057.db2.gz QOJVDDQKZZZWDG-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001440722886 911499059 /nfs/dbraw/zinc/49/90/59/911499059.db2.gz QOJVDDQKZZZWDG-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001440722886 911499070 /nfs/dbraw/zinc/49/90/70/911499070.db2.gz QOJVDDQKZZZWDG-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001440722886 911499075 /nfs/dbraw/zinc/49/90/75/911499075.db2.gz QOJVDDQKZZZWDG-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC(N)=O ZINC001440925044 911558861 /nfs/dbraw/zinc/55/88/61/911558861.db2.gz GEELRCOUSRKEFC-GMTAPVOTSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CC(N)=O ZINC001440925044 911558873 /nfs/dbraw/zinc/55/88/73/911558873.db2.gz GEELRCOUSRKEFC-GMTAPVOTSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CC(N)=O ZINC001440925044 911558889 /nfs/dbraw/zinc/55/88/89/911558889.db2.gz GEELRCOUSRKEFC-GMTAPVOTSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CC(N)=O ZINC001440925044 911558901 /nfs/dbraw/zinc/55/89/01/911558901.db2.gz GEELRCOUSRKEFC-GMTAPVOTSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001441362915 911654037 /nfs/dbraw/zinc/65/40/37/911654037.db2.gz ASAIKMVOWYWEMC-BJDJZHNGSA-N 2 1 282.388 -0.704 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC001441390208 911660625 /nfs/dbraw/zinc/66/06/25/911660625.db2.gz VQPZQFFPQHDBIZ-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)C1)[NH+](C)C ZINC001441397742 911660855 /nfs/dbraw/zinc/66/08/55/911660855.db2.gz IZEJOWOGUBVHQI-NQBHXWOUSA-N 2 1 294.403 -0.108 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C1)C(N)=O ZINC001441413727 911664978 /nfs/dbraw/zinc/66/49/78/911664978.db2.gz HBQNLNVHIOYAJU-SRVKXCTJSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@H](C)c1nnnn1C ZINC001441583975 911712821 /nfs/dbraw/zinc/71/28/21/911712821.db2.gz CLVKDUUMEKVFPW-GHMZBOCLSA-N 2 1 297.407 -0.341 20 0 CBADMP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1nnnn1C ZINC001441584181 911712951 /nfs/dbraw/zinc/71/29/51/911712951.db2.gz CLVKDUUMEKVFPW-QWRGUYRKSA-N 2 1 297.407 -0.341 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001441654858 911726170 /nfs/dbraw/zinc/72/61/70/911726170.db2.gz HZSQQSCZHGAWOA-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCOC1)C1CCC1 ZINC001441716797 911764060 /nfs/dbraw/zinc/76/40/60/911764060.db2.gz SYBFUPHDFNLJMC-CHWSQXEVSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001441749086 911777858 /nfs/dbraw/zinc/77/78/58/911777858.db2.gz IFNUZOBXRXIEJK-RYUDHWBXSA-N 2 1 280.372 -0.159 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001507161136 921691150 /nfs/dbraw/zinc/69/11/50/921691150.db2.gz ISOGKYNAEJVNKS-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCCO ZINC001507154454 921692076 /nfs/dbraw/zinc/69/20/76/921692076.db2.gz NUDGEGIVWSRWEJ-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cnn(C)n1 ZINC001441837781 911832449 /nfs/dbraw/zinc/83/24/49/911832449.db2.gz FEEPQAIREXLLJF-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NC)C[C@H]1C ZINC001441857754 911834866 /nfs/dbraw/zinc/83/48/66/911834866.db2.gz GNJLPVYEQMBXSV-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NC)C[C@H]1C ZINC001441857741 911835235 /nfs/dbraw/zinc/83/52/35/911835235.db2.gz GNJLPVYEQMBXSV-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442051463 911909879 /nfs/dbraw/zinc/90/98/79/911909879.db2.gz NQGCHDYTTWCPAU-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)[C@@H]1CCC[NH+]1C ZINC001442060316 911913219 /nfs/dbraw/zinc/91/32/19/911913219.db2.gz UJGOWAKSCFDBMJ-RYUDHWBXSA-N 2 1 275.368 -0.199 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)[C@@H]1CCC[NH+]1C ZINC001442060316 911913230 /nfs/dbraw/zinc/91/32/30/911913230.db2.gz UJGOWAKSCFDBMJ-RYUDHWBXSA-N 2 1 275.368 -0.199 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCF)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001442060316 911913235 /nfs/dbraw/zinc/91/32/35/911913235.db2.gz UJGOWAKSCFDBMJ-RYUDHWBXSA-N 2 1 275.368 -0.199 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCF)C(=O)[C@@H]1CCC[N@H+]1C ZINC001442060316 911913256 /nfs/dbraw/zinc/91/32/56/911913256.db2.gz UJGOWAKSCFDBMJ-RYUDHWBXSA-N 2 1 275.368 -0.199 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)[NH+](C)C ZINC001442089837 911927315 /nfs/dbraw/zinc/92/73/15/911927315.db2.gz GQBVSDABCXBHKC-STQMWFEESA-N 2 1 289.420 -0.684 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001442088207 911928494 /nfs/dbraw/zinc/92/84/94/911928494.db2.gz YLGSPMZEYRGSCE-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001442119938 911932884 /nfs/dbraw/zinc/93/28/84/911932884.db2.gz KMDJGSCVJKMQQE-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]([NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001442139442 911938983 /nfs/dbraw/zinc/93/89/83/911938983.db2.gz OZTMCROGYDJKBH-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001442174294 911940874 /nfs/dbraw/zinc/94/08/74/911940874.db2.gz KSGRFTYIPJNBDU-MNOVXSKESA-N 2 1 284.404 -0.456 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H](C)[NH2+]CCO)C1 ZINC001442336997 911974145 /nfs/dbraw/zinc/97/41/45/911974145.db2.gz LKZGKGLIAOALLD-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H](C)[NH2+]CCO)C1 ZINC001442336997 911974162 /nfs/dbraw/zinc/97/41/62/911974162.db2.gz LKZGKGLIAOALLD-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)C(=O)NC ZINC001442700739 912087314 /nfs/dbraw/zinc/08/73/14/912087314.db2.gz IWWHNOJJNGUVJI-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)C(=O)NC ZINC001442700739 912087331 /nfs/dbraw/zinc/08/73/31/912087331.db2.gz IWWHNOJJNGUVJI-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H](C)C(=O)N(C)C ZINC001442746057 912095928 /nfs/dbraw/zinc/09/59/28/912095928.db2.gz RFUXMTIKKZDUOW-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H](C)C(=O)N(C)C ZINC001442746057 912095941 /nfs/dbraw/zinc/09/59/41/912095941.db2.gz RFUXMTIKKZDUOW-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C)C(=O)N(C)C ZINC001442746057 912095957 /nfs/dbraw/zinc/09/59/57/912095957.db2.gz RFUXMTIKKZDUOW-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)N(C)C ZINC001442746057 912095975 /nfs/dbraw/zinc/09/59/75/912095975.db2.gz RFUXMTIKKZDUOW-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001442923529 912129474 /nfs/dbraw/zinc/12/94/74/912129474.db2.gz VCSUAMPYYNUFOK-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCNC1=O ZINC001442923529 912129485 /nfs/dbraw/zinc/12/94/85/912129485.db2.gz VCSUAMPYYNUFOK-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCNC1=O ZINC001442923529 912129518 /nfs/dbraw/zinc/12/95/18/912129518.db2.gz VCSUAMPYYNUFOK-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001443116943 912163180 /nfs/dbraw/zinc/16/31/80/912163180.db2.gz KMPIGCXAPGDOOI-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001443221250 912168760 /nfs/dbraw/zinc/16/87/60/912168760.db2.gz QHOBLPAQWRQINO-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001443221250 912168769 /nfs/dbraw/zinc/16/87/69/912168769.db2.gz QHOBLPAQWRQINO-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001443221250 912168780 /nfs/dbraw/zinc/16/87/80/912168780.db2.gz QHOBLPAQWRQINO-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443331482 912181608 /nfs/dbraw/zinc/18/16/08/912181608.db2.gz MGEARGZUXANOLX-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443329645 912184263 /nfs/dbraw/zinc/18/42/63/912184263.db2.gz MGEARGZUXANOLX-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC(N)=O)C1 ZINC001443335645 912188227 /nfs/dbraw/zinc/18/82/27/912188227.db2.gz FJJWAABEYSQQAD-CYBMUJFWSA-N 2 1 298.431 -0.016 20 0 CBADMP CCC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001443335645 912188234 /nfs/dbraw/zinc/18/82/34/912188234.db2.gz FJJWAABEYSQQAD-CYBMUJFWSA-N 2 1 298.431 -0.016 20 0 CBADMP CCC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001443335645 912188237 /nfs/dbraw/zinc/18/82/37/912188237.db2.gz FJJWAABEYSQQAD-CYBMUJFWSA-N 2 1 298.431 -0.016 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH+](C)CC(N)=O)CC1 ZINC001443368123 912192939 /nfs/dbraw/zinc/19/29/39/912192939.db2.gz DXUAJJVOUTUUER-UHFFFAOYSA-N 2 1 298.431 -0.016 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC(C[N@H+](C)CC(N)=O)CC1 ZINC001443368123 912192951 /nfs/dbraw/zinc/19/29/51/912192951.db2.gz DXUAJJVOUTUUER-UHFFFAOYSA-N 2 1 298.431 -0.016 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC(C[N@@H+](C)CC(N)=O)CC1 ZINC001443368123 912192962 /nfs/dbraw/zinc/19/29/62/912192962.db2.gz DXUAJJVOUTUUER-UHFFFAOYSA-N 2 1 298.431 -0.016 20 0 CBADMP C[N@H+](CC(=O)NCCC[NH+]1CCOCC1)[C@@H]1CCC[C@H]1O ZINC001463628702 914915301 /nfs/dbraw/zinc/91/53/01/914915301.db2.gz ZSRZSTZKOHGIBY-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+](CC(=O)NCCC[NH+]1CCOCC1)[C@@H]1CCC[C@H]1O ZINC001463628702 914915319 /nfs/dbraw/zinc/91/53/19/914915319.db2.gz ZSRZSTZKOHGIBY-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001507200140 921735062 /nfs/dbraw/zinc/73/50/62/921735062.db2.gz DQYBLYAUXDSPMN-WDEREUQCSA-N 2 1 261.341 -0.493 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+]CCCF ZINC001507219625 921751421 /nfs/dbraw/zinc/75/14/21/921751421.db2.gz QHLDUYACTOGANE-LLVKDONJSA-N 2 1 272.324 -0.382 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001468765759 915326227 /nfs/dbraw/zinc/32/62/27/915326227.db2.gz JQFDWEVWDFTGMI-KBPBESRZSA-N 2 1 297.447 -0.032 20 0 CBADMP Cn1cnc(CCNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001470445340 915483920 /nfs/dbraw/zinc/48/39/20/915483920.db2.gz JMXVBKJZWLKKOM-ZDUSSCGKSA-N 2 1 281.360 -0.672 20 0 CBADMP CCO[C@H](CNc1nc(N)nc(N)[nH+]1)C[NH+](C)C ZINC001472872019 915778349 /nfs/dbraw/zinc/77/83/49/915778349.db2.gz HPIXEHXDTNJWJJ-SSDOTTSWSA-N 2 1 255.326 -0.585 20 0 CBADMP Nc1nc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)nc(N)[nH+]1 ZINC001472896001 915782055 /nfs/dbraw/zinc/78/20/55/915782055.db2.gz PXEIRFNXNNICGM-RKDXNWHRSA-N 2 1 279.348 -0.929 20 0 CBADMP CN(C)C(=O)[C@H]1CC[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC001473547127 915829781 /nfs/dbraw/zinc/82/97/81/915829781.db2.gz WABGDRGVFBFKEF-WCQYABFASA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@H]1CCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC001473547127 915829792 /nfs/dbraw/zinc/82/97/92/915829792.db2.gz WABGDRGVFBFKEF-WCQYABFASA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@H]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC001473547127 915829809 /nfs/dbraw/zinc/82/98/09/915829809.db2.gz WABGDRGVFBFKEF-WCQYABFASA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC001473547127 915829822 /nfs/dbraw/zinc/82/98/22/915829822.db2.gz WABGDRGVFBFKEF-WCQYABFASA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC001473547127 915829836 /nfs/dbraw/zinc/82/98/36/915829836.db2.gz WABGDRGVFBFKEF-WCQYABFASA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC001473547127 915829852 /nfs/dbraw/zinc/82/98/52/915829852.db2.gz WABGDRGVFBFKEF-WCQYABFASA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC001473547127 915829861 /nfs/dbraw/zinc/82/98/61/915829861.db2.gz WABGDRGVFBFKEF-WCQYABFASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H]1CN(CCO)CC[N@H+]1CCCN1CCOCC1 ZINC001473545381 915831725 /nfs/dbraw/zinc/83/17/25/915831725.db2.gz KMPAHVGZKRIRMP-AWEZNQCLSA-N 2 1 271.405 -0.293 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC001473547126 915833947 /nfs/dbraw/zinc/83/39/47/915833947.db2.gz WABGDRGVFBFKEF-DGCLKSJQSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC001473547126 915833907 /nfs/dbraw/zinc/83/39/07/915833907.db2.gz WABGDRGVFBFKEF-DGCLKSJQSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@@H]1CCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC001473547126 915833924 /nfs/dbraw/zinc/83/39/24/915833924.db2.gz WABGDRGVFBFKEF-DGCLKSJQSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@@H]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC001473547126 915833937 /nfs/dbraw/zinc/83/39/37/915833937.db2.gz WABGDRGVFBFKEF-DGCLKSJQSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC001473547126 915833954 /nfs/dbraw/zinc/83/39/54/915833954.db2.gz WABGDRGVFBFKEF-DGCLKSJQSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC001473547126 915833967 /nfs/dbraw/zinc/83/39/67/915833967.db2.gz WABGDRGVFBFKEF-DGCLKSJQSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC001473547126 915833984 /nfs/dbraw/zinc/83/39/84/915833984.db2.gz WABGDRGVFBFKEF-DGCLKSJQSA-N 2 1 269.389 -0.148 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001507298099 921805778 /nfs/dbraw/zinc/80/57/78/921805778.db2.gz PIDPGKPXOXRUIG-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001479272583 916106090 /nfs/dbraw/zinc/10/60/90/916106090.db2.gz WSYMGFYMMHYHDV-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001479322595 916118750 /nfs/dbraw/zinc/11/87/50/916118750.db2.gz WBIZXHLRGAQSLO-SDDRHHMPSA-N 2 1 282.388 -0.702 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001479750320 916157854 /nfs/dbraw/zinc/15/78/54/916157854.db2.gz CCWYBIBJSXUYCA-AWEZNQCLSA-N 2 1 299.415 -0.642 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001479762697 916162125 /nfs/dbraw/zinc/16/21/25/916162125.db2.gz UYMYKDIFGWBKGL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001479762697 916162137 /nfs/dbraw/zinc/16/21/37/916162137.db2.gz UYMYKDIFGWBKGL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001479762697 916162143 /nfs/dbraw/zinc/16/21/43/916162143.db2.gz UYMYKDIFGWBKGL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001479762694 916163218 /nfs/dbraw/zinc/16/32/18/916163218.db2.gz UYMYKDIFGWBKGL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001479762694 916163230 /nfs/dbraw/zinc/16/32/30/916163230.db2.gz UYMYKDIFGWBKGL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001479762694 916163237 /nfs/dbraw/zinc/16/32/37/916163237.db2.gz UYMYKDIFGWBKGL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](C(=O)NCCC[N@@H+](C)[C@H](C)C(=O)NC)[NH+](C)C ZINC001479808120 916186158 /nfs/dbraw/zinc/18/61/58/916186158.db2.gz QDSUSRUDRVUPRL-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001479812698 916186286 /nfs/dbraw/zinc/18/62/86/916186286.db2.gz RAXUMERDAWGNOO-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@H]([NH+](C)CCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001479812698 916186298 /nfs/dbraw/zinc/18/62/98/916186298.db2.gz RAXUMERDAWGNOO-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@H]([NH+](C)CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001479812698 916186311 /nfs/dbraw/zinc/18/63/11/916186311.db2.gz RAXUMERDAWGNOO-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]CCOCCO)C2)C1 ZINC001480120617 916290240 /nfs/dbraw/zinc/29/02/40/916290240.db2.gz OSJRWSGCVZFDRN-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001480121996 916297638 /nfs/dbraw/zinc/29/76/38/916297638.db2.gz XYMLGVIBJJHCOO-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001480121996 916297651 /nfs/dbraw/zinc/29/76/51/916297651.db2.gz XYMLGVIBJJHCOO-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001480121995 916297889 /nfs/dbraw/zinc/29/78/89/916297889.db2.gz XYMLGVIBJJHCOO-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001480121995 916297909 /nfs/dbraw/zinc/29/79/09/916297909.db2.gz XYMLGVIBJJHCOO-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)N(C)C ZINC001480132213 916300208 /nfs/dbraw/zinc/30/02/08/916300208.db2.gz QZHBFAAIMDNIOB-CYDGBPFRSA-N 2 1 296.415 -0.206 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001480157819 916310875 /nfs/dbraw/zinc/31/08/75/916310875.db2.gz ZRAGKTRKLYFWIV-MGCOHNPYSA-N 2 1 267.333 -0.242 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001480173336 916317352 /nfs/dbraw/zinc/31/73/52/916317352.db2.gz GANUUIKJTSZJKQ-SRVKXCTJSA-N 2 1 284.404 -0.302 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001480233953 916336003 /nfs/dbraw/zinc/33/60/03/916336003.db2.gz UDJQXGNULGEGRU-TXEJJXNPSA-N 2 1 284.404 -0.299 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001480502134 916445429 /nfs/dbraw/zinc/44/54/29/916445429.db2.gz GFDYUTWPTPCXQA-ZYHUDNBSSA-N 2 1 293.371 -0.483 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001480502128 916445849 /nfs/dbraw/zinc/44/58/49/916445849.db2.gz GFDYUTWPTPCXQA-JQWIXIFHSA-N 2 1 293.371 -0.483 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001480566094 916479871 /nfs/dbraw/zinc/47/98/71/916479871.db2.gz QZCHGIZMSXPLHI-WDEREUQCSA-N 2 1 270.377 -0.689 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@@H](C[NH2+]CCO)C1)C1CCC1 ZINC001480647243 916510740 /nfs/dbraw/zinc/51/07/40/916510740.db2.gz BOCRLPPINWCWEW-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480907252 916626593 /nfs/dbraw/zinc/62/65/93/916626593.db2.gz BOQYUZCVTJDPLV-SNVBAGLBSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480907252 916626607 /nfs/dbraw/zinc/62/66/07/916626607.db2.gz BOQYUZCVTJDPLV-SNVBAGLBSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480935774 916642846 /nfs/dbraw/zinc/64/28/46/916642846.db2.gz ROWVYVDPGQYKGN-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480935774 916642855 /nfs/dbraw/zinc/64/28/55/916642855.db2.gz ROWVYVDPGQYKGN-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480935774 916642862 /nfs/dbraw/zinc/64/28/62/916642862.db2.gz ROWVYVDPGQYKGN-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480935774 916642875 /nfs/dbraw/zinc/64/28/75/916642875.db2.gz ROWVYVDPGQYKGN-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480935773 916646955 /nfs/dbraw/zinc/64/69/55/916646955.db2.gz ROWVYVDPGQYKGN-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480935773 916646965 /nfs/dbraw/zinc/64/69/65/916646965.db2.gz ROWVYVDPGQYKGN-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480935773 916646972 /nfs/dbraw/zinc/64/69/72/916646972.db2.gz ROWVYVDPGQYKGN-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001480935773 916646981 /nfs/dbraw/zinc/64/69/81/916646981.db2.gz ROWVYVDPGQYKGN-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)CCn1cncn1 ZINC001480947278 916648816 /nfs/dbraw/zinc/64/88/16/916648816.db2.gz OMNJXYUUUNUAGE-UHFFFAOYSA-N 2 1 291.359 -0.469 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)CCn1cncn1 ZINC001480947278 916648828 /nfs/dbraw/zinc/64/88/28/916648828.db2.gz OMNJXYUUUNUAGE-UHFFFAOYSA-N 2 1 291.359 -0.469 20 0 CBADMP CC[N@H+](CCNC(=O)CC[NH+](C)C)[C@@H](C)C(=O)NC ZINC001480997326 916679942 /nfs/dbraw/zinc/67/99/42/916679942.db2.gz BLVYJNMEODPGDV-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)[C@@H](C)C(=O)NC ZINC001480997326 916679951 /nfs/dbraw/zinc/67/99/51/916679951.db2.gz BLVYJNMEODPGDV-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(N)=O ZINC001481016210 916684966 /nfs/dbraw/zinc/68/49/66/916684966.db2.gz GARRWAHZZYSYGB-UHFFFAOYSA-N 2 1 256.350 -0.994 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)CC(N)=O ZINC001481016210 916684974 /nfs/dbraw/zinc/68/49/74/916684974.db2.gz GARRWAHZZYSYGB-UHFFFAOYSA-N 2 1 256.350 -0.994 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001481055577 916699311 /nfs/dbraw/zinc/69/93/11/916699311.db2.gz IUGNGMOCEOGSJU-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001481055604 916699905 /nfs/dbraw/zinc/69/99/05/916699905.db2.gz JKTYRPAZTYYWRV-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001481055604 916699907 /nfs/dbraw/zinc/69/99/07/916699907.db2.gz JKTYRPAZTYYWRV-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001481120430 916723607 /nfs/dbraw/zinc/72/36/07/916723607.db2.gz DFWFBPUUXOOFBD-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001481120430 916723613 /nfs/dbraw/zinc/72/36/13/916723613.db2.gz DFWFBPUUXOOFBD-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001481120430 916723625 /nfs/dbraw/zinc/72/36/25/916723625.db2.gz DFWFBPUUXOOFBD-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CN(CC[NH2+]CCOCCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001481247544 916784300 /nfs/dbraw/zinc/78/43/00/916784300.db2.gz SNIPQZIZMOFFBY-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001481247011 916784665 /nfs/dbraw/zinc/78/46/65/916784665.db2.gz FJVFJVRDUOWLEU-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+][C@H](C)C(=O)N(C)C ZINC001481257459 916790988 /nfs/dbraw/zinc/79/09/88/916790988.db2.gz FZOCPUHBRXLSTR-GFCCVEGCSA-N 2 1 295.387 -0.284 20 0 CBADMP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481314242 916813381 /nfs/dbraw/zinc/81/33/81/916813381.db2.gz BWSSQLSJABGERV-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CN(CC[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481315421 916814299 /nfs/dbraw/zinc/81/42/99/916814299.db2.gz ZROFOTVBWWLBLJ-GFCCVEGCSA-N 2 1 297.403 -0.989 20 0 CBADMP CCn1ncnc1C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001481314942 916814821 /nfs/dbraw/zinc/81/48/21/916814821.db2.gz NMMWZTSCPCUUTC-UHFFFAOYSA-N 2 1 294.403 -0.058 20 0 CBADMP CN(CC[NH2+]CCc1cnn(C)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481314969 916816133 /nfs/dbraw/zinc/81/61/33/916816133.db2.gz OSMPWQZVQROWEH-AWEZNQCLSA-N 2 1 293.415 -0.038 20 0 CBADMP CN(CC[NH2+]CCN1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481315422 916817368 /nfs/dbraw/zinc/81/73/68/916817368.db2.gz ZROFOTVBWWLBLJ-LBPRGKRZSA-N 2 1 297.403 -0.989 20 0 CBADMP CN(CC[NH2+]CC(N)=O)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001481322118 916819957 /nfs/dbraw/zinc/81/99/57/916819957.db2.gz PRHMDCYATVKUFV-UHFFFAOYSA-N 2 1 292.383 -0.348 20 0 CBADMP CN(CC[NH2+]CC(N)=O)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001481322118 916819969 /nfs/dbraw/zinc/81/99/69/916819969.db2.gz PRHMDCYATVKUFV-UHFFFAOYSA-N 2 1 292.383 -0.348 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC(N)=O)C1 ZINC001481505501 916852395 /nfs/dbraw/zinc/85/23/95/916852395.db2.gz SLNKHRIRFVOROC-LBPRGKRZSA-N 2 1 284.404 -0.406 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001481505501 916852407 /nfs/dbraw/zinc/85/24/07/916852407.db2.gz SLNKHRIRFVOROC-LBPRGKRZSA-N 2 1 284.404 -0.406 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001481505501 916852420 /nfs/dbraw/zinc/85/24/20/916852420.db2.gz SLNKHRIRFVOROC-LBPRGKRZSA-N 2 1 284.404 -0.406 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H]2CCNC2=O)C1 ZINC001481539023 916861500 /nfs/dbraw/zinc/86/15/00/916861500.db2.gz QVELECNETHZMPE-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H]2CCNC2=O)C1 ZINC001481539023 916861511 /nfs/dbraw/zinc/86/15/11/916861511.db2.gz QVELECNETHZMPE-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001481539023 916861524 /nfs/dbraw/zinc/86/15/24/916861524.db2.gz QVELECNETHZMPE-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001481539023 916861533 /nfs/dbraw/zinc/86/15/33/916861533.db2.gz QVELECNETHZMPE-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001481706244 916958310 /nfs/dbraw/zinc/95/83/10/916958310.db2.gz KBFSPFVTTRATMQ-AGIUHOORSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001481706244 916958318 /nfs/dbraw/zinc/95/83/18/916958318.db2.gz KBFSPFVTTRATMQ-AGIUHOORSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(=O)NC ZINC001481820308 916993565 /nfs/dbraw/zinc/99/35/65/916993565.db2.gz MDDZTSSSHFYIJT-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001481849792 917002326 /nfs/dbraw/zinc/00/23/26/917002326.db2.gz FYSQFBKLDGORBQ-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001481849793 917002441 /nfs/dbraw/zinc/00/24/41/917002441.db2.gz FYSQFBKLDGORBQ-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]CCO ZINC001481879229 917009816 /nfs/dbraw/zinc/00/98/16/917009816.db2.gz ODHGWJIDBSQIBL-LLVKDONJSA-N 2 1 254.334 -0.332 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)CC ZINC001481874168 917013732 /nfs/dbraw/zinc/01/37/32/917013732.db2.gz FFLBWMOIZVXXJY-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)[NH2+]CCCO ZINC001481882702 917014865 /nfs/dbraw/zinc/01/48/65/917014865.db2.gz PZSKBOGLXAFIGC-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)[NH2+]CCCO ZINC001481882702 917014873 /nfs/dbraw/zinc/01/48/73/917014873.db2.gz PZSKBOGLXAFIGC-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482063212 917036751 /nfs/dbraw/zinc/03/67/51/917036751.db2.gz ZCOMOKKIYVUKHC-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP COCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482087185 917049371 /nfs/dbraw/zinc/04/93/71/917049371.db2.gz IVYIGYILYNTFSL-OLZOCXBDSA-N 2 1 287.404 -0.305 20 0 CBADMP COCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482087185 917049383 /nfs/dbraw/zinc/04/93/83/917049383.db2.gz IVYIGYILYNTFSL-OLZOCXBDSA-N 2 1 287.404 -0.305 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CCO ZINC001482101065 917051965 /nfs/dbraw/zinc/05/19/65/917051965.db2.gz ALWHSDJXKCDEOO-QJPTWQEYSA-N 2 1 257.378 -0.339 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001482113781 917058987 /nfs/dbraw/zinc/05/89/87/917058987.db2.gz SFTSOUMJDLKNPP-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001482121399 917059088 /nfs/dbraw/zinc/05/90/88/917059088.db2.gz HNJGUJNKVBTZMK-CMPLNLGQSA-N 2 1 293.371 -0.578 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001482121401 917060224 /nfs/dbraw/zinc/06/02/24/917060224.db2.gz HNJGUJNKVBTZMK-PWSUYJOCSA-N 2 1 293.371 -0.578 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ncnn1C ZINC001482168325 917071985 /nfs/dbraw/zinc/07/19/85/917071985.db2.gz MSAIRJKYOKBSIX-VXGBXAGGSA-N 2 1 294.403 -0.391 20 0 CBADMP C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482200641 917089269 /nfs/dbraw/zinc/08/92/69/917089269.db2.gz ZEEVOPLMBQZTTK-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482200641 917089278 /nfs/dbraw/zinc/08/92/78/917089278.db2.gz ZEEVOPLMBQZTTK-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482329334 917129226 /nfs/dbraw/zinc/12/92/26/917129226.db2.gz AKHAJUKBKRHXDJ-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482329335 917130580 /nfs/dbraw/zinc/13/05/80/917130580.db2.gz AKHAJUKBKRHXDJ-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001482649644 917198196 /nfs/dbraw/zinc/19/81/96/917198196.db2.gz NXWCSLPUUBEMSH-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001482649644 917198200 /nfs/dbraw/zinc/19/82/00/917198200.db2.gz NXWCSLPUUBEMSH-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482649644 917198204 /nfs/dbraw/zinc/19/82/04/917198204.db2.gz NXWCSLPUUBEMSH-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482649644 917198208 /nfs/dbraw/zinc/19/82/08/917198208.db2.gz NXWCSLPUUBEMSH-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H](O)C[NH2+]CCF)C1CCC1 ZINC001482737300 917243980 /nfs/dbraw/zinc/24/39/80/917243980.db2.gz JQHMIWPGRQMYTA-LLVKDONJSA-N 2 1 261.341 -0.493 20 0 CBADMP CCCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001482757763 917254067 /nfs/dbraw/zinc/25/40/67/917254067.db2.gz QIPVBGCEKDVNFL-VXGBXAGGSA-N 2 1 257.378 -0.053 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cncn1C ZINC001482799607 917292952 /nfs/dbraw/zinc/29/29/52/917292952.db2.gz QXHLYPFMFMANRT-ZDUSSCGKSA-N 2 1 297.403 -0.673 20 0 CBADMP C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001482840655 917308354 /nfs/dbraw/zinc/30/83/54/917308354.db2.gz YFXWPOQAJOTZKW-DGCLKSJQSA-N 2 1 296.415 -0.156 20 0 CBADMP CCNC(=O)C[NH2+]CCN(CC)C(=O)Cn1cc[nH+]c1C ZINC001482968768 917352860 /nfs/dbraw/zinc/35/28/60/917352860.db2.gz WYRBQOKQDFMMNL-UHFFFAOYSA-N 2 1 295.387 -0.234 20 0 CBADMP COCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482992129 917364102 /nfs/dbraw/zinc/36/41/02/917364102.db2.gz GEBWVKDARIVLPK-PCAWENJQSA-N 2 1 271.361 -0.775 20 0 CBADMP COCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482992129 917364113 /nfs/dbraw/zinc/36/41/13/917364113.db2.gz GEBWVKDARIVLPK-PCAWENJQSA-N 2 1 271.361 -0.775 20 0 CBADMP CCOCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482993014 917364146 /nfs/dbraw/zinc/36/41/46/917364146.db2.gz NAVIOWGDXGSLTQ-ZFDPJTLLSA-N 2 1 285.388 -0.385 20 0 CBADMP CCOCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482993014 917364158 /nfs/dbraw/zinc/36/41/58/917364158.db2.gz NAVIOWGDXGSLTQ-ZFDPJTLLSA-N 2 1 285.388 -0.385 20 0 CBADMP COCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482992127 917365037 /nfs/dbraw/zinc/36/50/37/917365037.db2.gz GEBWVKDARIVLPK-MVZIDQBPSA-N 2 1 271.361 -0.775 20 0 CBADMP COCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482992127 917365050 /nfs/dbraw/zinc/36/50/50/917365050.db2.gz GEBWVKDARIVLPK-MVZIDQBPSA-N 2 1 271.361 -0.775 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+][C@H]2CCNC2=O)CC[N@H+]1C ZINC001483008202 917371961 /nfs/dbraw/zinc/37/19/61/917371961.db2.gz HUEHQWBGDZRGNW-FWIQHPNGSA-N 2 1 294.399 -0.523 20 0 CBADMP CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001483044819 917385957 /nfs/dbraw/zinc/38/59/57/917385957.db2.gz RZTFBFGPMARSHC-QMAVJUDZSA-N 2 1 282.388 -0.521 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC/C=C\C[NH2+][C@@H](C)C(N)=O ZINC001483093321 917403942 /nfs/dbraw/zinc/40/39/42/917403942.db2.gz PELCPJRXYIYJDE-XOULXFPDSA-N 2 1 279.344 -0.673 20 0 CBADMP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483082726 917405713 /nfs/dbraw/zinc/40/57/13/917405713.db2.gz VQOMZEPWNFWMDM-ZFDPJTLLSA-N 2 1 296.415 -0.322 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC ZINC001483099329 917407902 /nfs/dbraw/zinc/40/79/02/917407902.db2.gz XLTMHGDLHQXDIS-GFUIURDCSA-N 2 1 296.415 -0.131 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C1([NH+](C)C)CCC1 ZINC001483135422 917429449 /nfs/dbraw/zinc/42/94/49/917429449.db2.gz DAYHCGVDCUAYKD-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001483182311 917453302 /nfs/dbraw/zinc/45/33/02/917453302.db2.gz TUDYRLOTCQQDSW-GHMZBOCLSA-N 2 1 298.387 -0.772 20 0 CBADMP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483185002 917455713 /nfs/dbraw/zinc/45/57/13/917455713.db2.gz ZZYBDNNGFBNFHK-NEPJUHHUSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483184583 917457838 /nfs/dbraw/zinc/45/78/38/917457838.db2.gz RDOZKUVWJKGJKG-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001483214586 917470718 /nfs/dbraw/zinc/47/07/18/917470718.db2.gz OFNWBZAMBSWSIC-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[NH2+]CCn1cncn1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483257675 917496373 /nfs/dbraw/zinc/49/63/73/917496373.db2.gz JENKGEVAQIKMEZ-STQMWFEESA-N 2 1 294.403 -0.143 20 0 CBADMP CN(CCC[NH2+]Cc1cnnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001483455798 917567982 /nfs/dbraw/zinc/56/79/82/917567982.db2.gz DLDIBQNWNSSBBQ-CYBMUJFWSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O ZINC001483502003 917583058 /nfs/dbraw/zinc/58/30/58/917583058.db2.gz NBCKXSOMWVHRKX-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCOCCO)C1 ZINC001483702539 917647013 /nfs/dbraw/zinc/64/70/13/917647013.db2.gz PWRPWIMOKRSWPG-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCOCCO)C1 ZINC001483702539 917647025 /nfs/dbraw/zinc/64/70/25/917647025.db2.gz PWRPWIMOKRSWPG-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCOCCO)C1 ZINC001483702539 917647033 /nfs/dbraw/zinc/64/70/33/917647033.db2.gz PWRPWIMOKRSWPG-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCOCCO)C1 ZINC001483702539 917647042 /nfs/dbraw/zinc/64/70/42/917647042.db2.gz PWRPWIMOKRSWPG-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001483721335 917655148 /nfs/dbraw/zinc/65/51/48/917655148.db2.gz ABJSLQUSVPAZMI-JTQLQIEISA-N 2 1 268.361 -0.935 20 0 CBADMP CCN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001483722094 917658143 /nfs/dbraw/zinc/65/81/43/917658143.db2.gz QENXJNSPKIWKJN-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001483759955 917672902 /nfs/dbraw/zinc/67/29/02/917672902.db2.gz RTRGMKVFQRIFTA-RYUDHWBXSA-N 2 1 296.415 -0.156 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001483940909 917708185 /nfs/dbraw/zinc/70/81/85/917708185.db2.gz ILLBWCCFDGXLLG-GHMZBOCLSA-N 2 1 268.361 -0.854 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2C[NH2+]CCO)C1 ZINC001483951658 917712217 /nfs/dbraw/zinc/71/22/17/917712217.db2.gz CHHPYYLEWDNDQS-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001484049085 917726161 /nfs/dbraw/zinc/72/61/61/917726161.db2.gz ZAGJWGHCJSHBMO-IUODEOHRSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001484049085 917726174 /nfs/dbraw/zinc/72/61/74/917726174.db2.gz ZAGJWGHCJSHBMO-IUODEOHRSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001484049085 917726186 /nfs/dbraw/zinc/72/61/86/917726186.db2.gz ZAGJWGHCJSHBMO-IUODEOHRSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001484049085 917726197 /nfs/dbraw/zinc/72/61/97/917726197.db2.gz ZAGJWGHCJSHBMO-IUODEOHRSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001484049087 917728092 /nfs/dbraw/zinc/72/80/92/917728092.db2.gz ZAGJWGHCJSHBMO-SWLSCSKDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001484049087 917728098 /nfs/dbraw/zinc/72/80/98/917728098.db2.gz ZAGJWGHCJSHBMO-SWLSCSKDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001484049087 917728108 /nfs/dbraw/zinc/72/81/08/917728108.db2.gz ZAGJWGHCJSHBMO-SWLSCSKDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001484049087 917728115 /nfs/dbraw/zinc/72/81/15/917728115.db2.gz ZAGJWGHCJSHBMO-SWLSCSKDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCF)C2)CC[N@@H+]1C ZINC001484217302 917769152 /nfs/dbraw/zinc/76/91/52/917769152.db2.gz RHDVTGWMGDWKLL-BZPMIXESSA-N 2 1 287.379 -0.151 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCF)C2)CC[N@H+]1C ZINC001484217302 917769165 /nfs/dbraw/zinc/76/91/65/917769165.db2.gz RHDVTGWMGDWKLL-BZPMIXESSA-N 2 1 287.379 -0.151 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)CC[NH+]1C ZINC001484217302 917769179 /nfs/dbraw/zinc/76/91/79/917769179.db2.gz RHDVTGWMGDWKLL-BZPMIXESSA-N 2 1 287.379 -0.151 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)CC[NH+]1C ZINC001484217302 917769185 /nfs/dbraw/zinc/76/91/85/917769185.db2.gz RHDVTGWMGDWKLL-BZPMIXESSA-N 2 1 287.379 -0.151 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001484235516 917781048 /nfs/dbraw/zinc/78/10/48/917781048.db2.gz JSGCGLLHLHHLLU-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001484235516 917781068 /nfs/dbraw/zinc/78/10/68/917781068.db2.gz JSGCGLLHLHHLLU-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001484235516 917781084 /nfs/dbraw/zinc/78/10/84/917781084.db2.gz JSGCGLLHLHHLLU-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCO)C2)C1 ZINC001484549493 917884837 /nfs/dbraw/zinc/88/48/37/917884837.db2.gz JDEOTEMDWJWHRB-QWHCGFSZSA-N 2 1 269.389 -0.241 20 0 CBADMP COCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001484700810 917925804 /nfs/dbraw/zinc/92/58/04/917925804.db2.gz SZAYOZSBIPFRFC-CYBMUJFWSA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C[NH2+]CCO)C2)C1 ZINC001484693531 917926599 /nfs/dbraw/zinc/92/65/99/917926599.db2.gz VKKIGGRLAMGWHU-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001484693533 917926685 /nfs/dbraw/zinc/92/66/85/917926685.db2.gz VKKIGGRLAMGWHU-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP COCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001484700811 917927827 /nfs/dbraw/zinc/92/78/27/917927827.db2.gz SZAYOZSBIPFRFC-ZDUSSCGKSA-N 2 1 287.404 -0.210 20 0 CBADMP CN(CCC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001484736546 917929546 /nfs/dbraw/zinc/92/95/46/917929546.db2.gz NDBMJTCHEYCSPJ-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CN(CCC[NH+](C)CC(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001484736546 917929558 /nfs/dbraw/zinc/92/95/58/917929558.db2.gz NDBMJTCHEYCSPJ-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CN(CCC[NH+](C)CC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001484736546 917929573 /nfs/dbraw/zinc/92/95/73/917929573.db2.gz NDBMJTCHEYCSPJ-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CN(CCC[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001484765660 917936005 /nfs/dbraw/zinc/93/60/05/917936005.db2.gz MTWKWBJFVQEWDP-LBPRGKRZSA-N 2 1 284.404 -0.406 20 0 CBADMP CN(CCC[NH+](C)CC(N)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001484765660 917936021 /nfs/dbraw/zinc/93/60/21/917936021.db2.gz MTWKWBJFVQEWDP-LBPRGKRZSA-N 2 1 284.404 -0.406 20 0 CBADMP CN(CCC[NH+](C)CC(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001484765660 917936034 /nfs/dbraw/zinc/93/60/34/917936034.db2.gz MTWKWBJFVQEWDP-LBPRGKRZSA-N 2 1 284.404 -0.406 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001484765371 917936621 /nfs/dbraw/zinc/93/66/21/917936621.db2.gz CUCUNLJPUPHRMN-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001484765371 917936640 /nfs/dbraw/zinc/93/66/40/917936640.db2.gz CUCUNLJPUPHRMN-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001484765371 917936647 /nfs/dbraw/zinc/93/66/47/917936647.db2.gz CUCUNLJPUPHRMN-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH2+]CC1(NC(=O)CC[NH+]2CCOCC2)CCOCC1 ZINC001484869772 917952078 /nfs/dbraw/zinc/95/20/78/917952078.db2.gz SBSLEFGCXSBXTG-UHFFFAOYSA-N 2 1 299.415 -0.016 20 0 CBADMP C[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001484996912 917978868 /nfs/dbraw/zinc/97/88/68/917978868.db2.gz DCVWTZTZSPHXGS-QJPTWQEYSA-N 2 1 257.378 -0.054 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+]CCCO)CC2)C1 ZINC001484964539 917973620 /nfs/dbraw/zinc/97/36/20/917973620.db2.gz NIEKRDMZHYXYBZ-ZDUSSCGKSA-N 2 1 299.415 -0.736 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CC(=O)NC ZINC001485075598 917984076 /nfs/dbraw/zinc/98/40/76/917984076.db2.gz DFWPFOZCOTWSOJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CC(=O)NC ZINC001485075598 917984085 /nfs/dbraw/zinc/98/40/85/917984085.db2.gz DFWPFOZCOTWSOJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC(=O)NC ZINC001485075598 917984094 /nfs/dbraw/zinc/98/40/94/917984094.db2.gz DFWPFOZCOTWSOJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(=O)NC ZINC001485075598 917984103 /nfs/dbraw/zinc/98/41/03/917984103.db2.gz DFWPFOZCOTWSOJ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(N)=O ZINC001485229849 918033413 /nfs/dbraw/zinc/03/34/13/918033413.db2.gz MWKGJBRIZZLVLC-ZJUUUORDSA-N 2 1 258.366 -0.705 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001485373130 918099001 /nfs/dbraw/zinc/09/90/01/918099001.db2.gz KQWNGRUZJNUYSO-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)CCO ZINC001485376842 918099410 /nfs/dbraw/zinc/09/94/10/918099410.db2.gz KHPMBGNEYBSYLF-LLVKDONJSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@@H](C)C(=O)NC ZINC001485369555 918102085 /nfs/dbraw/zinc/10/20/85/918102085.db2.gz KAUDCMYCCXJZIC-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@@H](C)C(=O)NC ZINC001485369555 918102098 /nfs/dbraw/zinc/10/20/98/918102098.db2.gz KAUDCMYCCXJZIC-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(=O)NC ZINC001485369555 918102111 /nfs/dbraw/zinc/10/21/11/918102111.db2.gz KAUDCMYCCXJZIC-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(=O)NC ZINC001485369555 918102116 /nfs/dbraw/zinc/10/21/16/918102116.db2.gz KAUDCMYCCXJZIC-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)N1CCC1 ZINC001485382027 918102591 /nfs/dbraw/zinc/10/25/91/918102591.db2.gz BQEBZDKKUYALMR-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)N1CCC1 ZINC001485382027 918102603 /nfs/dbraw/zinc/10/26/03/918102603.db2.gz BQEBZDKKUYALMR-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)N1CCC1 ZINC001485382027 918102612 /nfs/dbraw/zinc/10/26/12/918102612.db2.gz BQEBZDKKUYALMR-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)N1CCC1 ZINC001485382027 918102620 /nfs/dbraw/zinc/10/26/20/918102620.db2.gz BQEBZDKKUYALMR-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCO)C1 ZINC001485531760 918140142 /nfs/dbraw/zinc/14/01/42/918140142.db2.gz BMRAWAFFISUXBB-NEPJUHHUSA-N 2 1 269.389 -0.243 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCF)C2)C1 ZINC001485678162 918167267 /nfs/dbraw/zinc/16/72/67/918167267.db2.gz AFQVVQNGAJNTIF-IJLUTSLNSA-N 2 1 273.352 -0.229 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCF)C2)C1 ZINC001485678162 918167275 /nfs/dbraw/zinc/16/72/75/918167275.db2.gz AFQVVQNGAJNTIF-IJLUTSLNSA-N 2 1 273.352 -0.229 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCOCCNC(=O)[C@H]1CCC[NH+]1C ZINC001485774178 918187022 /nfs/dbraw/zinc/18/70/22/918187022.db2.gz HCNDQMNMANCUER-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)C[NH+](C)CCOCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001485774178 918187032 /nfs/dbraw/zinc/18/70/32/918187032.db2.gz HCNDQMNMANCUER-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)C[NH+](C)CCOCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001485774178 918187041 /nfs/dbraw/zinc/18/70/41/918187041.db2.gz HCNDQMNMANCUER-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001485856914 918212221 /nfs/dbraw/zinc/21/22/21/918212221.db2.gz WAPVMJZQGKZGFW-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001485856917 918212714 /nfs/dbraw/zinc/21/27/14/918212714.db2.gz WAPVMJZQGKZGFW-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001485947072 918239679 /nfs/dbraw/zinc/23/96/79/918239679.db2.gz LRTZCDMBLQQEKR-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC2CCCC2)C1 ZINC001485982604 918274930 /nfs/dbraw/zinc/27/49/30/918274930.db2.gz NEAWEKKUNCAUSI-ZIAGYGMSSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC2CCCC2)C1 ZINC001485982604 918274943 /nfs/dbraw/zinc/27/49/43/918274943.db2.gz NEAWEKKUNCAUSI-ZIAGYGMSSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCCF ZINC001486028332 918323215 /nfs/dbraw/zinc/32/32/15/918323215.db2.gz RXUNIVHWCLELQM-RYUDHWBXSA-N 2 1 275.368 -0.103 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCCF ZINC001486028331 918324397 /nfs/dbraw/zinc/32/43/97/918324397.db2.gz RXUNIVHWCLELQM-NEPJUHHUSA-N 2 1 275.368 -0.103 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCO)C[C@H]1C ZINC001486131142 918371686 /nfs/dbraw/zinc/37/16/86/918371686.db2.gz UOSLIBGBTMZZBD-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001488652692 918750842 /nfs/dbraw/zinc/75/08/42/918750842.db2.gz GTECKNIWQXSZTA-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001488652692 918750854 /nfs/dbraw/zinc/75/08/54/918750854.db2.gz GTECKNIWQXSZTA-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001488803446 918769061 /nfs/dbraw/zinc/76/90/61/918769061.db2.gz FRUKKKRCINVGMT-RWMBFGLXSA-N 2 1 298.431 -0.055 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1)C1CCC1 ZINC001488831211 918773039 /nfs/dbraw/zinc/77/30/39/918773039.db2.gz KNNGZLPWWZVBJK-HAQNSBGRSA-N 2 1 269.389 -0.053 20 0 CBADMP CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001490197174 918864871 /nfs/dbraw/zinc/86/48/71/918864871.db2.gz UHDBEWDWHMWCJR-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001490197174 918864884 /nfs/dbraw/zinc/86/48/84/918864884.db2.gz UHDBEWDWHMWCJR-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001490197174 918864901 /nfs/dbraw/zinc/86/49/01/918864901.db2.gz UHDBEWDWHMWCJR-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCNC1=O ZINC001490214277 918871901 /nfs/dbraw/zinc/87/19/01/918871901.db2.gz QWSPSRNVZOBPSH-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC001490214277 918871916 /nfs/dbraw/zinc/87/19/16/918871916.db2.gz QWSPSRNVZOBPSH-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CCNC1=O ZINC001490214277 918871927 /nfs/dbraw/zinc/87/19/27/918871927.db2.gz QWSPSRNVZOBPSH-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC ZINC001490358242 918896469 /nfs/dbraw/zinc/89/64/69/918896469.db2.gz WXCWTSSOKDJBHL-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C)C(=O)NC ZINC001490358242 918896481 /nfs/dbraw/zinc/89/64/81/918896481.db2.gz WXCWTSSOKDJBHL-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC ZINC001490358242 918896492 /nfs/dbraw/zinc/89/64/92/918896492.db2.gz WXCWTSSOKDJBHL-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC(N)=O)C1CC1 ZINC001490368020 918899444 /nfs/dbraw/zinc/89/94/44/918899444.db2.gz VOEFMPBLYLNGHT-LBPRGKRZSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC(N)=O)C1CC1 ZINC001490368020 918899464 /nfs/dbraw/zinc/89/94/64/918899464.db2.gz VOEFMPBLYLNGHT-LBPRGKRZSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC(N)=O)C1CC1 ZINC001490368020 918899476 /nfs/dbraw/zinc/89/94/76/918899476.db2.gz VOEFMPBLYLNGHT-LBPRGKRZSA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH+](CC(N)=O)C2CC2)C1 ZINC001490394488 918901404 /nfs/dbraw/zinc/90/14/04/918901404.db2.gz WNOSJONXADYIOH-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCC[N@H+](CC(N)=O)C2CC2)C1 ZINC001490394488 918901417 /nfs/dbraw/zinc/90/14/17/918901417.db2.gz WNOSJONXADYIOH-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCC[N@@H+](CC(N)=O)C2CC2)C1 ZINC001490394488 918901429 /nfs/dbraw/zinc/90/14/29/918901429.db2.gz WNOSJONXADYIOH-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCOCCO)C1 ZINC001490577438 918941174 /nfs/dbraw/zinc/94/11/74/918941174.db2.gz NZXCMDQDPUQNTI-ZDUSSCGKSA-N 2 1 296.371 -0.609 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001490577438 918941177 /nfs/dbraw/zinc/94/11/77/918941177.db2.gz NZXCMDQDPUQNTI-ZDUSSCGKSA-N 2 1 296.371 -0.609 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CCCO)C2CC2)C1 ZINC001490648758 918953125 /nfs/dbraw/zinc/95/31/25/918953125.db2.gz MDOFBDWGFCTFJE-OLZOCXBDSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CCCO)C2CC2)C1 ZINC001490648758 918953133 /nfs/dbraw/zinc/95/31/33/918953133.db2.gz MDOFBDWGFCTFJE-OLZOCXBDSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001490941854 918995130 /nfs/dbraw/zinc/99/51/30/918995130.db2.gz UJVSJELWIAEAFS-XYPYZODXSA-N 2 1 270.377 -0.689 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001491320299 919112785 /nfs/dbraw/zinc/11/27/85/919112785.db2.gz ZTNYOJDVVNIGAR-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCO ZINC001491455454 919169084 /nfs/dbraw/zinc/16/90/84/919169084.db2.gz RFMWAFYJIMSUIB-VXGBXAGGSA-N 2 1 257.378 -0.054 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001491456602 919169616 /nfs/dbraw/zinc/16/96/16/919169616.db2.gz IDNKMRAPKAQFTE-QJPTWQEYSA-N 2 1 284.404 -0.443 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001491530358 919195608 /nfs/dbraw/zinc/19/56/08/919195608.db2.gz VUMJIJCLUGIONV-CMPLNLGQSA-N 2 1 293.371 -0.436 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001491530776 919196152 /nfs/dbraw/zinc/19/61/52/919196152.db2.gz YTEKVLQAZMTFFC-NSHDSACASA-N 2 1 295.387 -0.188 20 0 CBADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cnn(C)n1 ZINC001491565741 919207026 /nfs/dbraw/zinc/20/70/26/919207026.db2.gz QAAFDDMWICWLFR-NSHDSACASA-N 2 1 294.403 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001491651456 919243565 /nfs/dbraw/zinc/24/35/65/919243565.db2.gz XBCCBWSKCATBIH-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP C[NH+](C)CCC(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001491710836 919259673 /nfs/dbraw/zinc/25/96/73/919259673.db2.gz CVLFMXAZXXAIFA-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001491849115 919291462 /nfs/dbraw/zinc/29/14/62/919291462.db2.gz DKRSMINBQSECIW-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001492420425 919415809 /nfs/dbraw/zinc/41/58/09/919415809.db2.gz ARKOBUPUIKOQSG-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001492420425 919415819 /nfs/dbraw/zinc/41/58/19/919415819.db2.gz ARKOBUPUIKOQSG-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001492420425 919415832 /nfs/dbraw/zinc/41/58/32/919415832.db2.gz ARKOBUPUIKOQSG-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001492420425 919415845 /nfs/dbraw/zinc/41/58/45/919415845.db2.gz ARKOBUPUIKOQSG-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001492450474 919418875 /nfs/dbraw/zinc/41/88/75/919418875.db2.gz SBAXJUWEEKWJPY-LBPRGKRZSA-N 2 1 297.403 -0.513 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001492818027 919429409 /nfs/dbraw/zinc/42/94/09/919429409.db2.gz YKGCIZUZYUTWNL-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001492818027 919429420 /nfs/dbraw/zinc/42/94/20/919429420.db2.gz YKGCIZUZYUTWNL-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001492818027 919429427 /nfs/dbraw/zinc/42/94/27/919429427.db2.gz YKGCIZUZYUTWNL-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001492818027 919429439 /nfs/dbraw/zinc/42/94/39/919429439.db2.gz YKGCIZUZYUTWNL-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001492819673 919433785 /nfs/dbraw/zinc/43/37/85/919433785.db2.gz WQOJLYYFXUISTM-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001492819673 919433791 /nfs/dbraw/zinc/43/37/91/919433791.db2.gz WQOJLYYFXUISTM-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001492926249 919450393 /nfs/dbraw/zinc/45/03/93/919450393.db2.gz WYPNMDDYQHBOTI-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001492926249 919450397 /nfs/dbraw/zinc/45/03/97/919450397.db2.gz WYPNMDDYQHBOTI-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001492926249 919450408 /nfs/dbraw/zinc/45/04/08/919450408.db2.gz WYPNMDDYQHBOTI-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001492926249 919450415 /nfs/dbraw/zinc/45/04/15/919450415.db2.gz WYPNMDDYQHBOTI-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001493131400 919482787 /nfs/dbraw/zinc/48/27/87/919482787.db2.gz ZRZYKMLLQHMZOS-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001493131400 919482798 /nfs/dbraw/zinc/48/27/98/919482798.db2.gz ZRZYKMLLQHMZOS-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001493254701 919512048 /nfs/dbraw/zinc/51/20/48/919512048.db2.gz JFCWZHXKPIZVIG-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001493261981 919513531 /nfs/dbraw/zinc/51/35/31/919513531.db2.gz CGXJPPKXKNJDFI-LBPRGKRZSA-N 2 1 293.371 -0.624 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001493261981 919513544 /nfs/dbraw/zinc/51/35/44/919513544.db2.gz CGXJPPKXKNJDFI-LBPRGKRZSA-N 2 1 293.371 -0.624 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001493377047 919536235 /nfs/dbraw/zinc/53/62/35/919536235.db2.gz KLCBVDNZLMGBIQ-NSHDSACASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001493377047 919536246 /nfs/dbraw/zinc/53/62/46/919536246.db2.gz KLCBVDNZLMGBIQ-NSHDSACASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001493377044 919536422 /nfs/dbraw/zinc/53/64/22/919536422.db2.gz KLCBVDNZLMGBIQ-LLVKDONJSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001493377044 919536437 /nfs/dbraw/zinc/53/64/37/919536437.db2.gz KLCBVDNZLMGBIQ-LLVKDONJSA-N 2 1 296.415 -0.075 20 0 CBADMP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001493574636 919580865 /nfs/dbraw/zinc/58/08/65/919580865.db2.gz KLEFZQZTDIBWFV-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP CN(CC[NH2+]Cc1cn(C)nn1)C(=O)C[N@H+](C)C1CCC1 ZINC001493581741 919585869 /nfs/dbraw/zinc/58/58/69/919585869.db2.gz ZAQUYDSEJORVEO-UHFFFAOYSA-N 2 1 294.403 -0.153 20 0 CBADMP CN(CC[NH2+]Cc1cn(C)nn1)C(=O)C[N@@H+](C)C1CCC1 ZINC001493581741 919585877 /nfs/dbraw/zinc/58/58/77/919585877.db2.gz ZAQUYDSEJORVEO-UHFFFAOYSA-N 2 1 294.403 -0.153 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(=O)N(C)C ZINC001493600751 919590904 /nfs/dbraw/zinc/59/09/04/919590904.db2.gz RHTYUXHCMGUGJZ-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001493762107 919615788 /nfs/dbraw/zinc/61/57/88/919615788.db2.gz QAUYOPVAFSRHIB-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+]Cc1cnnn1C ZINC001493752656 919616374 /nfs/dbraw/zinc/61/63/74/919616374.db2.gz JBHFQBUTAKRKPO-UHFFFAOYSA-N 2 1 282.392 -0.295 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)N(C)C ZINC001493807237 919624831 /nfs/dbraw/zinc/62/48/31/919624831.db2.gz XYBCFCUPVKONDB-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]CCCO ZINC001493794219 919626157 /nfs/dbraw/zinc/62/61/57/919626157.db2.gz UJKGRAWGOSLCKZ-UHFFFAOYSA-N 2 1 254.334 -0.378 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC2CN(CCOCCO)C2)CC[N@H+]1C ZINC001494387586 919693940 /nfs/dbraw/zinc/69/39/40/919693940.db2.gz OYOSWPFEFKVOHI-DGCLKSJQSA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001494611603 919749524 /nfs/dbraw/zinc/74/95/24/919749524.db2.gz NRZRQDVEWQLXPF-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001494611603 919749534 /nfs/dbraw/zinc/74/95/34/919749534.db2.gz NRZRQDVEWQLXPF-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001494848331 919802857 /nfs/dbraw/zinc/80/28/57/919802857.db2.gz QLWLGOUEIODAJH-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001494842556 919801411 /nfs/dbraw/zinc/80/14/11/919801411.db2.gz RCDGWJMBDVBNIM-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001494842556 919801419 /nfs/dbraw/zinc/80/14/19/919801419.db2.gz RCDGWJMBDVBNIM-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001494862968 919809896 /nfs/dbraw/zinc/80/98/96/919809896.db2.gz JVCLQMQFDAZTQW-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001494862968 919809901 /nfs/dbraw/zinc/80/99/01/919809901.db2.gz JVCLQMQFDAZTQW-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001494862968 919809919 /nfs/dbraw/zinc/80/99/19/919809919.db2.gz JVCLQMQFDAZTQW-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001494862968 919809935 /nfs/dbraw/zinc/80/99/35/919809935.db2.gz JVCLQMQFDAZTQW-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCCO ZINC001495037784 919847055 /nfs/dbraw/zinc/84/70/55/919847055.db2.gz KRQGUPJZJDWHSS-VXGBXAGGSA-N 2 1 257.378 -0.053 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)[NH2+]CCOC ZINC001495109379 919865495 /nfs/dbraw/zinc/86/54/95/919865495.db2.gz VKGVYENTJFRHPB-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)[NH2+]CCOC ZINC001495109379 919865506 /nfs/dbraw/zinc/86/55/06/919865506.db2.gz VKGVYENTJFRHPB-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnn(C)n1 ZINC001495107027 919865894 /nfs/dbraw/zinc/86/58/94/919865894.db2.gz HBHICGGJNUYZNI-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@@H](C)C(N)=O ZINC001495110437 919866603 /nfs/dbraw/zinc/86/66/03/919866603.db2.gz XNCCDRQGSOGBPR-ONGXEEELSA-N 2 1 281.360 -0.450 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001495301406 919885562 /nfs/dbraw/zinc/88/55/62/919885562.db2.gz UHCSOQFEANHTKC-YGRLFVJLSA-N 2 1 282.388 -0.702 20 0 CBADMP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)C[NH2+]CC(N)=O ZINC001495696239 919931097 /nfs/dbraw/zinc/93/10/97/919931097.db2.gz OXSSMXRHLBHLGH-VIFPVBQESA-N 2 1 297.359 -0.823 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)N1CCC1 ZINC001495809734 919948419 /nfs/dbraw/zinc/94/84/19/919948419.db2.gz TVJMWNLOKWQROC-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCc1cnc[nH]1 ZINC001496084877 920023174 /nfs/dbraw/zinc/02/31/74/920023174.db2.gz YOFCFCIXACAYTD-QWRGUYRKSA-N 2 1 295.387 -0.087 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001496208055 920044561 /nfs/dbraw/zinc/04/45/61/920044561.db2.gz BISSIHYEAJJOFG-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496230432 920046856 /nfs/dbraw/zinc/04/68/56/920046856.db2.gz WLJQZFHJRKZSSH-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CC/C=C\CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001496963032 920179136 /nfs/dbraw/zinc/17/91/36/920179136.db2.gz ZIAJYUSAULRIHL-OQOSRZTISA-N 2 1 299.415 -0.260 20 0 CBADMP CC/C=C\CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001496963032 920179148 /nfs/dbraw/zinc/17/91/48/920179148.db2.gz ZIAJYUSAULRIHL-OQOSRZTISA-N 2 1 299.415 -0.260 20 0 CBADMP CC/C=C/CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001496963031 920180090 /nfs/dbraw/zinc/18/00/90/920180090.db2.gz ZIAJYUSAULRIHL-OOPLNXAUSA-N 2 1 299.415 -0.260 20 0 CBADMP CC/C=C/CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001496963031 920180097 /nfs/dbraw/zinc/18/00/97/920180097.db2.gz ZIAJYUSAULRIHL-OOPLNXAUSA-N 2 1 299.415 -0.260 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1nccs1 ZINC001497048093 920228248 /nfs/dbraw/zinc/22/82/48/920228248.db2.gz PSBFTUMWSLLRIC-JTQLQIEISA-N 2 1 286.401 -0.339 20 0 CBADMP CCC[NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001497075548 920240454 /nfs/dbraw/zinc/24/04/54/920240454.db2.gz JUBNUVFDVUUVHN-LBPRGKRZSA-N 2 1 273.377 -0.815 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001497108944 920250421 /nfs/dbraw/zinc/25/04/21/920250421.db2.gz BYEOFOLEEGXBKD-LBPRGKRZSA-N 2 1 266.345 -0.332 20 0 CBADMP C[NH+](C)[C@H](C(=O)NC[C@@H](O)C[NH2+]CCO)c1ccccc1 ZINC001497120509 920255665 /nfs/dbraw/zinc/25/56/65/920255665.db2.gz ZGKOFIIBKDQVPW-KBPBESRZSA-N 2 1 295.383 -0.652 20 0 CBADMP C[NH+](C)[C@@H](C(=O)NC[C@H](O)C[NH2+]CCO)c1ccccc1 ZINC001497120512 920256324 /nfs/dbraw/zinc/25/63/24/920256324.db2.gz ZGKOFIIBKDQVPW-ZIAGYGMSSA-N 2 1 295.383 -0.652 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CC[NH2+][C@@H](C)C(N)=O ZINC001497231797 920273265 /nfs/dbraw/zinc/27/32/65/920273265.db2.gz XDDKTSSMQCJGRY-ONGXEEELSA-N 2 1 281.360 -0.450 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001497229782 920275604 /nfs/dbraw/zinc/27/56/04/920275604.db2.gz FHIZDPHLZQGASW-JQWIXIFHSA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497324013 920283655 /nfs/dbraw/zinc/28/36/55/920283655.db2.gz RRAIALPHJLVFKN-WDEREUQCSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497324013 920283676 /nfs/dbraw/zinc/28/36/76/920283676.db2.gz RRAIALPHJLVFKN-WDEREUQCSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497324007 920285741 /nfs/dbraw/zinc/28/57/41/920285741.db2.gz RRAIALPHJLVFKN-GHMZBOCLSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497324007 920285754 /nfs/dbraw/zinc/28/57/54/920285754.db2.gz RRAIALPHJLVFKN-GHMZBOCLSA-N 2 1 295.391 -0.854 20 0 CBADMP CCN(CC[NH2+]CCCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001497361332 920296007 /nfs/dbraw/zinc/29/60/07/920296007.db2.gz CMUMOIXIHUYMLD-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CCN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001497417365 920304854 /nfs/dbraw/zinc/30/48/54/920304854.db2.gz IJCJUWWRYDMDKF-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C ZINC001497434233 920307268 /nfs/dbraw/zinc/30/72/68/920307268.db2.gz IGEHNLIHOIAZOL-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001497484137 920309361 /nfs/dbraw/zinc/30/93/61/920309361.db2.gz HKSDNLRWFUZONW-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497495398 920312215 /nfs/dbraw/zinc/31/22/15/920312215.db2.gz GTQKMGUFWNJHOB-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001497484034 920313101 /nfs/dbraw/zinc/31/31/01/920313101.db2.gz HKSDNLRWFUZONW-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](O)CCC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001497552840 920333758 /nfs/dbraw/zinc/33/37/58/920333758.db2.gz SJTQLINHYLMBOD-PUWCWTCHSA-N 2 1 299.415 -0.260 20 0 CBADMP C[C@H](O)CCC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001497552840 920333771 /nfs/dbraw/zinc/33/37/71/920333771.db2.gz SJTQLINHYLMBOD-PUWCWTCHSA-N 2 1 299.415 -0.260 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001497651654 920362682 /nfs/dbraw/zinc/36/26/82/920362682.db2.gz XRILXXVNWKLTCD-RUULKOMLSA-N 2 1 282.388 -0.523 20 0 CBADMP CC(C)CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001497797858 920388041 /nfs/dbraw/zinc/38/80/41/920388041.db2.gz LUWAFASPOVEAKF-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C[N@H+](C)C1CCC1 ZINC001497829143 920402379 /nfs/dbraw/zinc/40/23/79/920402379.db2.gz IJWWNGSBRVZBTG-SNVBAGLBSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001497829143 920402388 /nfs/dbraw/zinc/40/23/88/920402388.db2.gz IJWWNGSBRVZBTG-SNVBAGLBSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001497829450 920404021 /nfs/dbraw/zinc/40/40/21/920404021.db2.gz NGYAMTDDOYZFBU-DGCLKSJQSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H](C[NH2+]CCn1cncn1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001497830243 920404741 /nfs/dbraw/zinc/40/47/41/920404741.db2.gz ZYCWZGYNYCUDNV-GFCCVEGCSA-N 2 1 294.403 -0.143 20 0 CBADMP C[C@H](C[NH2+]CCCO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001497883179 920419801 /nfs/dbraw/zinc/41/98/01/920419801.db2.gz HCFSDEHOSKXXDV-NEPJUHHUSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CC[NH+](C)C ZINC001497898587 920421687 /nfs/dbraw/zinc/42/16/87/920421687.db2.gz CTNUXWITLVEVKR-SNVBAGLBSA-N 2 1 268.365 -0.639 20 0 CBADMP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001497990550 920435443 /nfs/dbraw/zinc/43/54/43/920435443.db2.gz HDDSJZPRVLHPFG-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001497990550 920435453 /nfs/dbraw/zinc/43/54/53/920435453.db2.gz HDDSJZPRVLHPFG-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001498053134 920464146 /nfs/dbraw/zinc/46/41/46/920464146.db2.gz GIAQWBUDVFQKPF-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](O)C[NH2+]C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001498064216 920467092 /nfs/dbraw/zinc/46/70/92/920467092.db2.gz KLHBQOIPMYOHCE-UWVGGRQHSA-N 2 1 284.360 -0.175 20 0 CBADMP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnnn1C)[NH+](C)C ZINC001498115615 920485591 /nfs/dbraw/zinc/48/55/91/920485591.db2.gz UVFAONBIWIHPBR-AXFHLTTASA-N 2 1 297.407 -0.294 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001498118652 920489946 /nfs/dbraw/zinc/48/99/46/920489946.db2.gz VFQXLJQYSGWURJ-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001498118652 920489953 /nfs/dbraw/zinc/48/99/53/920489953.db2.gz VFQXLJQYSGWURJ-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001498134556 920496736 /nfs/dbraw/zinc/49/67/36/920496736.db2.gz NGDNVXJBLDCWDK-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001498153859 920503148 /nfs/dbraw/zinc/50/31/48/920503148.db2.gz TUDYRLOTCQQDSW-WDEREUQCSA-N 2 1 298.387 -0.772 20 0 CBADMP C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)C[NH+](C)C1CCC1 ZINC001498314422 920554088 /nfs/dbraw/zinc/55/40/88/920554088.db2.gz SMNPCIUVAOMQIE-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)C[NH+](C)C1CCC1 ZINC001498314422 920554095 /nfs/dbraw/zinc/55/40/95/920554095.db2.gz SMNPCIUVAOMQIE-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C[NH+](C)[C@@H]1CCNC1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001498314422 920554105 /nfs/dbraw/zinc/55/41/05/920554105.db2.gz SMNPCIUVAOMQIE-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C[NH+](C)[C@@H]1CCNC1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001498314422 920554117 /nfs/dbraw/zinc/55/41/17/920554117.db2.gz SMNPCIUVAOMQIE-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N1CCCC1)NC(=O)CC[NH+](C)C ZINC001498394095 920575499 /nfs/dbraw/zinc/57/54/99/920575499.db2.gz JMVNFRGCSNZLLF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N1CCCC1)NC(=O)CC[NH+](C)C ZINC001498394095 920575504 /nfs/dbraw/zinc/57/55/04/920575504.db2.gz JMVNFRGCSNZLLF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H](C)C(N)=O ZINC001498432948 920582351 /nfs/dbraw/zinc/58/23/51/920582351.db2.gz ATTRIAIGLMXPAD-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H](C)C(N)=O ZINC001498432948 920582365 /nfs/dbraw/zinc/58/23/65/920582365.db2.gz ATTRIAIGLMXPAD-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001498432948 920582376 /nfs/dbraw/zinc/58/23/76/920582376.db2.gz ATTRIAIGLMXPAD-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001498432948 920582385 /nfs/dbraw/zinc/58/23/85/920582385.db2.gz ATTRIAIGLMXPAD-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H]1CCNC1=O ZINC001498433631 920583342 /nfs/dbraw/zinc/58/33/42/920583342.db2.gz IRSOMIMAPUENBV-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H]1CCNC1=O ZINC001498433631 920583354 /nfs/dbraw/zinc/58/33/54/920583354.db2.gz IRSOMIMAPUENBV-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001498433631 920583361 /nfs/dbraw/zinc/58/33/61/920583361.db2.gz IRSOMIMAPUENBV-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001498433631 920583368 /nfs/dbraw/zinc/58/33/68/920583368.db2.gz IRSOMIMAPUENBV-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001498744451 920634059 /nfs/dbraw/zinc/63/40/59/920634059.db2.gz DOHRZJAYXVFAAN-VXGBXAGGSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001498744451 920634065 /nfs/dbraw/zinc/63/40/65/920634065.db2.gz DOHRZJAYXVFAAN-VXGBXAGGSA-N 2 1 255.362 -0.179 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C[NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001498861837 920650018 /nfs/dbraw/zinc/65/00/18/920650018.db2.gz GANQSEDKODHZBA-CABZTGNLSA-N 2 1 293.371 -0.450 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CCOCCO)C1 ZINC001499066608 920693177 /nfs/dbraw/zinc/69/31/77/920693177.db2.gz LTKVKNIMWVWANS-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2CCOCCO)C1 ZINC001499066608 920693186 /nfs/dbraw/zinc/69/31/86/920693186.db2.gz LTKVKNIMWVWANS-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2CCOCCO)C1 ZINC001499066608 920693197 /nfs/dbraw/zinc/69/31/97/920693197.db2.gz LTKVKNIMWVWANS-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2CCOCCO)C1 ZINC001499066608 920693203 /nfs/dbraw/zinc/69/32/03/920693203.db2.gz LTKVKNIMWVWANS-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCC(CC(=O)NC[C@@H]2CC[N@H+]2CCO)CC1 ZINC001499073858 920695474 /nfs/dbraw/zinc/69/54/74/920695474.db2.gz INQVGGMLTBBDFN-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001499352054 920739118 /nfs/dbraw/zinc/73/91/18/920739118.db2.gz IZFDINMDWNKYDW-NWDGAFQWSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001499448870 920747919 /nfs/dbraw/zinc/74/79/19/920747919.db2.gz VTVMJBVAEHWZES-ZJUUUORDSA-N 2 1 268.361 -0.950 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@H](C)OC)CC2)C1 ZINC001499456729 920747979 /nfs/dbraw/zinc/74/79/79/920747979.db2.gz WXRNIIVYPVMTLR-QWHCGFSZSA-N 2 1 299.415 -0.020 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@H](C)OC)CC2)C1 ZINC001499456729 920747998 /nfs/dbraw/zinc/74/79/98/920747998.db2.gz WXRNIIVYPVMTLR-QWHCGFSZSA-N 2 1 299.415 -0.020 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@@H](C)C(=O)NC)CC1 ZINC001499426814 920750030 /nfs/dbraw/zinc/75/00/30/920750030.db2.gz RSFWHBNVGKXBCG-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001499926462 920786392 /nfs/dbraw/zinc/78/63/92/920786392.db2.gz JLTKOYGKSOOYRQ-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001500256994 920819564 /nfs/dbraw/zinc/81/95/64/920819564.db2.gz HXMCYQUHPQSCEE-CQSZACIVSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001500256994 920819579 /nfs/dbraw/zinc/81/95/79/920819579.db2.gz HXMCYQUHPQSCEE-CQSZACIVSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001500282012 920828946 /nfs/dbraw/zinc/82/89/46/920828946.db2.gz YQZNRXHJDLBIGF-BXUZGUMPSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001500282012 920828962 /nfs/dbraw/zinc/82/89/62/920828962.db2.gz YQZNRXHJDLBIGF-BXUZGUMPSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)C1 ZINC001500282012 920828976 /nfs/dbraw/zinc/82/89/76/920828976.db2.gz YQZNRXHJDLBIGF-BXUZGUMPSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)C1 ZINC001500282012 920828996 /nfs/dbraw/zinc/82/89/96/920828996.db2.gz YQZNRXHJDLBIGF-BXUZGUMPSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500718273 920867755 /nfs/dbraw/zinc/86/77/55/920867755.db2.gz QGRYZNNNKCOCCA-AWEZNQCLSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500762827 920878187 /nfs/dbraw/zinc/87/81/87/920878187.db2.gz PVOFMOQZDBHNLY-OCCSQVGLSA-N 2 1 285.388 -0.984 20 0 CBADMP CC(C)[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001500965166 920929493 /nfs/dbraw/zinc/92/94/93/920929493.db2.gz GZWIURIUMIBPGG-LBPRGKRZSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500965166 920929506 /nfs/dbraw/zinc/92/95/06/920929506.db2.gz GZWIURIUMIBPGG-LBPRGKRZSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC(N)=O)C2 ZINC001501013409 920936058 /nfs/dbraw/zinc/93/60/58/920936058.db2.gz PNWHHNPSODNHEU-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(N)=O)C2 ZINC001501013409 920936069 /nfs/dbraw/zinc/93/60/69/920936069.db2.gz PNWHHNPSODNHEU-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001501013409 920936078 /nfs/dbraw/zinc/93/60/78/920936078.db2.gz PNWHHNPSODNHEU-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC(N)=O)C2 ZINC001501013410 920936512 /nfs/dbraw/zinc/93/65/12/920936512.db2.gz PNWHHNPSODNHEU-XQQFMLRXSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(N)=O)C2 ZINC001501013410 920936526 /nfs/dbraw/zinc/93/65/26/920936526.db2.gz PNWHHNPSODNHEU-XQQFMLRXSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001501013410 920936535 /nfs/dbraw/zinc/93/65/35/920936535.db2.gz PNWHHNPSODNHEU-XQQFMLRXSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(=O)NC)C1 ZINC001501083426 920945619 /nfs/dbraw/zinc/94/56/19/920945619.db2.gz IDFVBRGOOSHXHI-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001501345786 920977051 /nfs/dbraw/zinc/97/70/51/920977051.db2.gz PDKVZJCNZMEQRL-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](CC[NH2+]CCCO)C2)C1 ZINC001501551426 921036583 /nfs/dbraw/zinc/03/65/83/921036583.db2.gz BKJGWNLNMSPBIB-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](CC[NH2+]CCCO)C2)C1 ZINC001501551426 921036598 /nfs/dbraw/zinc/03/65/98/921036598.db2.gz BKJGWNLNMSPBIB-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CCC2)CC[N@H+]1C ZINC001501992905 921077399 /nfs/dbraw/zinc/07/73/99/921077399.db2.gz HZPXUCBRDSXUIO-RYUDHWBXSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001507335813 921812362 /nfs/dbraw/zinc/81/23/62/921812362.db2.gz ZBHGVYHXADQHCE-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)N(CC[N@H+](C)[C@@H](C)C(N)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001507862873 921898338 /nfs/dbraw/zinc/89/83/38/921898338.db2.gz MCYXVZFSNVRIBZ-STQMWFEESA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)N(CC[N@@H+](C)[C@@H](C)C(N)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001507862873 921898342 /nfs/dbraw/zinc/89/83/42/921898342.db2.gz MCYXVZFSNVRIBZ-STQMWFEESA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)N(CC[NH+](C)[C@@H](C)C(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507862873 921898352 /nfs/dbraw/zinc/89/83/52/921898352.db2.gz MCYXVZFSNVRIBZ-STQMWFEESA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)N(CC[NH+](C)[C@@H](C)C(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507862873 921898365 /nfs/dbraw/zinc/89/83/65/921898365.db2.gz MCYXVZFSNVRIBZ-STQMWFEESA-N 2 1 298.431 -0.019 20 0 CBADMP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001514595777 922205020 /nfs/dbraw/zinc/20/50/20/922205020.db2.gz MNWAQSHJBIHBLF-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H](NC(=O)C1([NH3+])CCC1)[C@H]1C[N@@H+](C)CCN1C ZINC001515357837 922229823 /nfs/dbraw/zinc/22/98/23/922229823.db2.gz ITFUSTHCNNSMOY-WDEREUQCSA-N 2 1 254.378 -0.382 20 0 CBADMP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001515319698 922230621 /nfs/dbraw/zinc/23/06/21/922230621.db2.gz XLVFXGKPVHQWRV-LPWJVIDDSA-N 2 1 267.373 -0.219 20 0 CBADMP C[C@H](NC(=O)CC1CC([NH3+])C1)[C@H]1C[N@@H+](C)CCN1C ZINC001515359816 922233595 /nfs/dbraw/zinc/23/35/95/922233595.db2.gz QUDYWKIRDNIPGO-YWPUVAFDSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H](NC(=O)CC1CC([NH3+])C1)[C@H]1CN(C)CCN1C ZINC001515359816 922233610 /nfs/dbraw/zinc/23/36/10/922233610.db2.gz QUDYWKIRDNIPGO-YWPUVAFDSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H](NC(=O)CC1CC([NH3+])C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001515359816 922233620 /nfs/dbraw/zinc/23/36/20/922233620.db2.gz QUDYWKIRDNIPGO-YWPUVAFDSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H](NC(=O)CC1CC([NH3+])C1)[C@H]1CN(C)CC[N@H+]1C ZINC001515359816 922233633 /nfs/dbraw/zinc/23/36/33/922233633.db2.gz QUDYWKIRDNIPGO-YWPUVAFDSA-N 2 1 268.405 -0.136 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001521158354 922335069 /nfs/dbraw/zinc/33/50/69/922335069.db2.gz LQPDOOMFNFLBLQ-UTUOFQBUSA-N 2 1 254.378 -0.526 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001521159279 922337739 /nfs/dbraw/zinc/33/77/39/922337739.db2.gz ZPXNJQLIIONCTD-GRYCIOLGSA-N 2 1 254.378 -0.511 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001521445273 922357531 /nfs/dbraw/zinc/35/75/31/922357531.db2.gz GLNMQYUOHQIIFR-LOWDOPEQSA-N 2 1 269.389 -0.054 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H](O)C[NH3+])C1 ZINC001521496161 922361061 /nfs/dbraw/zinc/36/10/61/922361061.db2.gz PJDSDKZFFOJEQJ-RYUDHWBXSA-N 2 1 257.378 -0.114 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2C[NH2+]1 ZINC001521508411 922363114 /nfs/dbraw/zinc/36/31/14/922363114.db2.gz UQSVVFHGMZODDN-LDYMZIIASA-N 2 1 263.345 -0.158 20 0 CBADMP C[NH2+]CCCCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001521518746 922364224 /nfs/dbraw/zinc/36/42/24/922364224.db2.gz HTEMUIPYMSNUJD-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1([NH+](C)C)CC1 ZINC001521666487 922374104 /nfs/dbraw/zinc/37/41/04/922374104.db2.gz LNTAYWRLASASPP-NWDGAFQWSA-N 2 1 266.389 -0.415 20 0 CBADMP COc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001522082913 922398090 /nfs/dbraw/zinc/39/80/90/922398090.db2.gz JQJHKIGQGPOCET-JFGNBEQYSA-N 2 1 265.313 -0.856 20 0 CBADMP C[NH2+]CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001522614570 922486508 /nfs/dbraw/zinc/48/65/08/922486508.db2.gz VEFUNGNFYNPMRE-BETUJISGSA-N 3 1 266.389 -0.367 20 0 CBADMP C[NH2+]CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001522614570 922486515 /nfs/dbraw/zinc/48/65/15/922486515.db2.gz VEFUNGNFYNPMRE-BETUJISGSA-N 3 1 266.389 -0.367 20 0 CBADMP CC[NH+](CC)CC(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001522657781 922498171 /nfs/dbraw/zinc/49/81/71/922498171.db2.gz UFUOLQOAMXMDHK-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[NH+](C)CCCC(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001522763697 922514828 /nfs/dbraw/zinc/51/48/28/922514828.db2.gz NRGPTSJCEIBZFP-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)CC[N@H+]1C ZINC001522857764 922539156 /nfs/dbraw/zinc/53/91/56/922539156.db2.gz NQURUGPCUTYLLR-NTZNESFSSA-N 2 1 255.362 -0.300 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)NCCCCC[NH+]1CCNCC1 ZINC001522930426 922549375 /nfs/dbraw/zinc/54/93/75/922549375.db2.gz LFMLLMVCZRWOFF-CQSZACIVSA-N 2 1 299.463 -0.543 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001523507113 922596107 /nfs/dbraw/zinc/59/61/07/922596107.db2.gz JGPSEEQZOMELLL-KIJLLGNVSA-N 2 1 264.373 -0.616 20 0 CBADMP C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001524028837 922613819 /nfs/dbraw/zinc/61/38/19/922613819.db2.gz FHGJDZLZKYKNIC-DRZSPHRISA-N 2 1 268.405 -0.136 20 0 CBADMP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001524029509 922614705 /nfs/dbraw/zinc/61/47/05/922614705.db2.gz NXIULMODXAZXCO-VXGBXAGGSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001524029509 922614717 /nfs/dbraw/zinc/61/47/17/922614717.db2.gz NXIULMODXAZXCO-VXGBXAGGSA-N 2 1 257.378 -0.115 20 0 CBADMP C[C@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)[C@H]1C[N@@H+](C)CCN1C ZINC001524029764 922615786 /nfs/dbraw/zinc/61/57/86/922615786.db2.gz SJNIMEAECGBJBG-JZRPKSSGSA-N 2 1 266.389 -0.655 20 0 CBADMP [NH3+]CCCCCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001524150982 922624712 /nfs/dbraw/zinc/62/47/12/922624712.db2.gz XYOOCKNHRSXDEV-DZGCQCFKSA-N 2 1 299.415 -0.153 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001525369265 922666839 /nfs/dbraw/zinc/66/68/39/922666839.db2.gz ZUCFNDKRGNEIAQ-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH2+]C1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCC1 ZINC001548558702 923383391 /nfs/dbraw/zinc/38/33/91/923383391.db2.gz ZMUYHCFGGWTLOJ-GFCCVEGCSA-N 2 1 294.399 -0.449 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548623846 923409749 /nfs/dbraw/zinc/40/97/49/923409749.db2.gz HMGZMQMAAZYAST-KGLIPLIRSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1([NH+](C)C)CCC1 ZINC001548690492 923452962 /nfs/dbraw/zinc/45/29/62/923452962.db2.gz OWTPZQPASSHHRP-OLZOCXBDSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC001548695907 923459938 /nfs/dbraw/zinc/45/99/38/923459938.db2.gz VTQYILQGQIJLIP-FQUUOJAGSA-N 2 1 278.400 -0.605 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001548695907 923459943 /nfs/dbraw/zinc/45/99/43/923459943.db2.gz VTQYILQGQIJLIP-FQUUOJAGSA-N 2 1 278.400 -0.605 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001548695907 923459951 /nfs/dbraw/zinc/45/99/51/923459951.db2.gz VTQYILQGQIJLIP-FQUUOJAGSA-N 2 1 278.400 -0.605 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC001548711156 923470761 /nfs/dbraw/zinc/47/07/61/923470761.db2.gz SZNIFCNOOCJBAR-XJFOESAGSA-N 2 1 280.416 -0.074 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)C[C@H](C)[NH+]1C ZINC001548711156 923470766 /nfs/dbraw/zinc/47/07/66/923470766.db2.gz SZNIFCNOOCJBAR-XJFOESAGSA-N 2 1 280.416 -0.074 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)C[C@H](C)[NH+]1C ZINC001548711156 923470769 /nfs/dbraw/zinc/47/07/69/923470769.db2.gz SZNIFCNOOCJBAR-XJFOESAGSA-N 2 1 280.416 -0.074 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC001548716613 923471385 /nfs/dbraw/zinc/47/13/85/923471385.db2.gz VTORLDQXYUTPDD-RQJABVFESA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001548716613 923471390 /nfs/dbraw/zinc/47/13/90/923471390.db2.gz VTORLDQXYUTPDD-RQJABVFESA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001548716613 923471397 /nfs/dbraw/zinc/47/13/97/923471397.db2.gz VTORLDQXYUTPDD-RQJABVFESA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1CCn2cncc2C1 ZINC001548723972 923475814 /nfs/dbraw/zinc/47/58/14/923475814.db2.gz FLPZZPFMSOMQSJ-DYEKYZERSA-N 2 1 289.383 -0.298 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001548725925 923480294 /nfs/dbraw/zinc/48/02/94/923480294.db2.gz KTOUJLZUJJZMTK-XQLPTFJDSA-N 2 1 292.427 -0.215 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC001548725925 923480304 /nfs/dbraw/zinc/48/03/04/923480304.db2.gz KTOUJLZUJJZMTK-XQLPTFJDSA-N 2 1 292.427 -0.215 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC001548725925 923480314 /nfs/dbraw/zinc/48/03/14/923480314.db2.gz KTOUJLZUJJZMTK-XQLPTFJDSA-N 2 1 292.427 -0.215 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001548979424 923518168 /nfs/dbraw/zinc/51/81/68/923518168.db2.gz QSOZSONCAQNKON-GRYCIOLGSA-N 2 1 277.372 -0.252 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C1CC[NH2+]CC1 ZINC001549044461 923528770 /nfs/dbraw/zinc/52/87/70/923528770.db2.gz ZTULHECPJLSEHL-LBPRGKRZSA-N 2 1 277.372 -0.107 20 0 CBADMP [NH3+]Cc1nc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cs1 ZINC001549044259 923531393 /nfs/dbraw/zinc/53/13/93/923531393.db2.gz HURNGPOAYZPOBV-SNVBAGLBSA-N 2 1 295.412 -0.279 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1)N1CC[NH+](C)CC1 ZINC001549045136 923535642 /nfs/dbraw/zinc/53/56/42/923535642.db2.gz WJNROOQCNOUSHW-RDBSUJKOSA-N 2 1 296.415 -0.788 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001549045493 923540444 /nfs/dbraw/zinc/54/04/44/923540444.db2.gz ALQUXZLHODKZSG-RITPCOANSA-N 2 1 283.357 -0.900 20 0 CBADMP [NH3+]CC(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549299725 923586489 /nfs/dbraw/zinc/58/64/89/923586489.db2.gz CYUAASNAEKCBEL-QWRGUYRKSA-N 2 1 253.346 -0.295 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC001549615779 923619475 /nfs/dbraw/zinc/61/94/75/923619475.db2.gz VMNWADKZRNYOSA-CHWSQXEVSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+](C)[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1n1ccnn1 ZINC001549670000 923627210 /nfs/dbraw/zinc/62/72/10/923627210.db2.gz DJAZYYURGSHZFA-JHJVBQTASA-N 2 1 292.387 -0.314 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC[C@H]21 ZINC001549883196 923644047 /nfs/dbraw/zinc/64/40/47/923644047.db2.gz LENDLJLYJOKTHS-JHJVBQTASA-N 2 1 294.399 -0.593 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001550059621 923658532 /nfs/dbraw/zinc/65/85/32/923658532.db2.gz FKPWKVISNZXZTE-NEPJUHHUSA-N 2 1 264.329 -0.219 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC001550060560 923664193 /nfs/dbraw/zinc/66/41/93/923664193.db2.gz LACCMGQZJFZBOL-SRVKXCTJSA-N 2 1 295.362 -0.159 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC001550095246 923678374 /nfs/dbraw/zinc/67/83/74/923678374.db2.gz HRRZWJNLPGJFDQ-WCQYABFASA-N 2 1 292.387 -0.148 20 0 CBADMP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC001550103749 923684441 /nfs/dbraw/zinc/68/44/41/923684441.db2.gz ISPQDEYINHXFBD-GZBFAFLISA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@H]3[NH3+])CC[C@@H]21 ZINC001550105129 923684791 /nfs/dbraw/zinc/68/47/91/923684791.db2.gz YOSYHDGZOOWJQG-WISYIIOYSA-N 2 1 253.346 -0.345 20 0 CBADMP [NH3+]CC12CC(NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)(C1)C2 ZINC001550118203 923689329 /nfs/dbraw/zinc/68/93/29/923689329.db2.gz PXRSHIFWEVDWFD-YWBBTBBSSA-N 2 1 265.357 -0.153 20 0 CBADMP CN1CC[NH+]([C@H]2CCN(C(=O)CC3(C[NH3+])CC3)C2)CC1 ZINC001550116996 923689613 /nfs/dbraw/zinc/68/96/13/923689613.db2.gz SVCHHKSNMWRHBL-ZDUSSCGKSA-N 2 1 280.416 -0.036 20 0 CBADMP C[NH2+]CCC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001550117247 923691376 /nfs/dbraw/zinc/69/13/76/923691376.db2.gz XJJZGKHDZMKXDW-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001550121842 923696827 /nfs/dbraw/zinc/69/68/27/923696827.db2.gz BDWAESAISJMJGY-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP OC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001550148383 923699428 /nfs/dbraw/zinc/69/94/28/923699428.db2.gz NAFRGZFKTKADJA-YHUYYLMFSA-N 2 1 295.427 -0.010 20 0 CBADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC001550227300 923710797 /nfs/dbraw/zinc/71/07/97/923710797.db2.gz AGEUWZIGJXSUCR-NSHDSACASA-N 2 1 282.388 -0.334 20 0 CBADMP N[C@H]1CN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C[C@H]1[NH3+] ZINC001550290151 923716541 /nfs/dbraw/zinc/71/65/41/923716541.db2.gz VIKZGIQZIRJARF-MCIONIFRSA-N 2 1 289.383 -0.619 20 0 CBADMP O[C@@H]1C[C@@H]2CN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC[N@H+]2C1 ZINC001550704392 923737587 /nfs/dbraw/zinc/73/75/87/923737587.db2.gz YRCDLDJUKWCDCM-TUVASFSCSA-N 2 1 281.400 -0.494 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)NC[C@@H]3C[NH2+]CCCO3)C[C@@]2(C)C1 ZINC001550730195 923741759 /nfs/dbraw/zinc/74/17/59/923741759.db2.gz FQJMBGFZBRVKQD-VNHYZAJKSA-N 2 1 296.415 -0.042 20 0 CBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CC[NH2+]C[C@@H](O)C1 ZINC001550738822 923744055 /nfs/dbraw/zinc/74/40/55/923744055.db2.gz CSOMUCOZJDIMOT-MCIONIFRSA-N 2 1 296.415 -0.021 20 0 CBADMP [NH3+][C@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)[C@@H](O)C1 ZINC001550934962 923756311 /nfs/dbraw/zinc/75/63/11/923756311.db2.gz OMUOJYJMVWTUSQ-GZFHQYITSA-N 3 1 294.443 -0.262 20 0 CBADMP NC(=O)[C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC001551395353 923773185 /nfs/dbraw/zinc/77/31/85/923773185.db2.gz RBAKEQDRKFDPCO-XUJVJEKNSA-N 2 1 279.384 -0.048 20 0 CBADMP CNC(=O)[C@@]12C[N@H+]([C@@H]3CC[NH2+]C3)C[C@@H]1COCC2 ZINC001551414063 923782020 /nfs/dbraw/zinc/78/20/20/923782020.db2.gz XLMBYBDCBVQKKN-WZRBSPASSA-N 2 1 253.346 -0.567 20 0 CBADMP 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 923804444 /nfs/dbraw/zinc/80/44/44/923804444.db2.gz MPLVUXAXVFEYGO-RBPLVZGOSA-N 2 1 294.399 -0.427 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)C[C@H]1C ZINC001551590970 923809466 /nfs/dbraw/zinc/80/94/66/923809466.db2.gz OCNIXVGSARQDPO-BUGODDKZSA-N 2 1 296.415 -0.037 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552167940 923845503 /nfs/dbraw/zinc/84/55/03/923845503.db2.gz ZWUHWZYPBRGGMP-MNOVXSKESA-N 2 1 278.360 -0.506 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552199755 923855457 /nfs/dbraw/zinc/85/54/57/923855457.db2.gz IJZJZSFNFBWFBL-KYEXWDHISA-N 2 1 279.384 -0.035 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[N@H+]1C1CC1 ZINC001552199927 923855798 /nfs/dbraw/zinc/85/57/98/923855798.db2.gz GAVLWSYINNVWLP-FJJYHAOUSA-N 2 1 279.384 -0.036 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552200231 923855844 /nfs/dbraw/zinc/85/58/44/923855844.db2.gz NQSWFYUJVZRXGH-BHPKHCPMSA-N 2 1 279.384 -0.035 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C[N@H+]1C1CC1 ZINC001552199974 923856886 /nfs/dbraw/zinc/85/68/86/923856886.db2.gz GAVLWSYINNVWLP-MCYUEQNJSA-N 2 1 279.384 -0.036 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC[N@H+]1C ZINC001552201757 923858254 /nfs/dbraw/zinc/85/82/54/923858254.db2.gz WWNLOMZPAOWVRQ-HKUMRIAESA-N 2 1 267.373 -0.179 20 0 CBADMP O=C(N1CC[N@@H+]2CCCC[C@@H]2C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201330 923859013 /nfs/dbraw/zinc/85/90/13/923859013.db2.gz LIJSHZFWFIYWGR-GZBFAFLISA-N 2 1 279.384 -0.081 20 0 CBADMP O=C(N1CC[N@H+]2CCCC[C@@H]2C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201330 923859026 /nfs/dbraw/zinc/85/90/26/923859026.db2.gz LIJSHZFWFIYWGR-GZBFAFLISA-N 2 1 279.384 -0.081 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552200986 923859622 /nfs/dbraw/zinc/85/96/22/923859622.db2.gz YPBFQYQNAMEOLA-DMDPSCGWSA-N 2 1 253.346 -0.567 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)n1C ZINC001552200943 923859910 /nfs/dbraw/zinc/85/99/10/923859910.db2.gz IEADBDHZAVRKOR-YGRLFVJLSA-N 2 1 293.371 -0.662 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552205898 923869607 /nfs/dbraw/zinc/86/96/07/923869607.db2.gz SVXKQVCYUFPBKA-MBNYWOFBSA-N 2 1 267.373 -0.177 20 0 CBADMP CN(C(=O)[C@@]12C[NH2+]C[C@@H]1COC2)[C@H]1CC[N@@H+](C)C1 ZINC001552215371 923869782 /nfs/dbraw/zinc/86/97/82/923869782.db2.gz FZDJDOBDQHITEV-NTZNESFSSA-N 2 1 253.346 -0.615 20 0 CBADMP CN(Cc1cnn2c1C[NH2+]CC2)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC001552254834 923875471 /nfs/dbraw/zinc/87/54/71/923875471.db2.gz BDLBEUCWMKBKAU-GFCCVEGCSA-N 2 1 293.371 -0.819 20 0 CBADMP CN(Cc1cnn2c1C[NH2+]CC2)C(=O)[C@H]1C[NH2+]CCOC1 ZINC001552254835 923875550 /nfs/dbraw/zinc/87/55/50/923875550.db2.gz BDLBEUCWMKBKAU-LBPRGKRZSA-N 2 1 293.371 -0.819 20 0 CBADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N1C[C@@H]([NH3+])[C@@H](N)C1 ZINC001552292282 923883528 /nfs/dbraw/zinc/88/35/28/923883528.db2.gz HIHQQEJSMBRHSX-LPWJVIDDSA-N 2 1 281.404 -0.365 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]1[NH+]1CC[C@@H](O)C1 ZINC001552311662 923885728 /nfs/dbraw/zinc/88/57/28/923885728.db2.gz DFGRGQLTNFXVJO-AAVRWANBSA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1 ZINC001552311662 923885740 /nfs/dbraw/zinc/88/57/40/923885740.db2.gz DFGRGQLTNFXVJO-AAVRWANBSA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1 ZINC001552311662 923885754 /nfs/dbraw/zinc/88/57/54/923885754.db2.gz DFGRGQLTNFXVJO-AAVRWANBSA-N 2 1 296.415 -0.023 20 0 CBADMP C[N@H+]1CCCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC001552436186 923904019 /nfs/dbraw/zinc/90/40/19/923904019.db2.gz AKXGXHUXKLDVAY-UHFFFAOYSA-N 2 1 292.387 -0.020 20 0 CBADMP Cc1c(C(=O)N2CCC[N@H+](C)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437104 923904306 /nfs/dbraw/zinc/90/43/06/923904306.db2.gz XPGRIMCUECFLDS-GFCCVEGCSA-N 2 1 292.387 -0.101 20 0 CBADMP Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552440040 923911070 /nfs/dbraw/zinc/91/10/70/923911070.db2.gz IUWUXQXLDGQXRS-VXGBXAGGSA-N 2 1 292.387 -0.103 20 0 CBADMP CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C[C@H]21 ZINC001552719717 923915079 /nfs/dbraw/zinc/91/50/79/923915079.db2.gz YZNHDCBQTHMLKR-MGPQQGTHSA-N 2 1 295.383 -0.561 20 0 CBADMP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1)[NH+](C)C ZINC001552770742 923915203 /nfs/dbraw/zinc/91/52/03/923915203.db2.gz CZBQXFKLQXXYOL-UONOGXRCSA-N 2 1 297.447 -0.032 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001552808286 923919624 /nfs/dbraw/zinc/91/96/24/923919624.db2.gz ZNZQNDXBBJFWCB-KBPBESRZSA-N 2 1 297.447 -0.032 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)N3C[C@H](N)[C@@H]([NH3+])C3)CC[C@@H]21 ZINC001552961115 923926874 /nfs/dbraw/zinc/92/68/74/923926874.db2.gz RKUFTTQVYJVHKC-RHYQMDGZSA-N 2 1 267.377 -0.897 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@H]([NH3+])C3CC3)C2)CC1 ZINC001552954561 923927774 /nfs/dbraw/zinc/92/77/74/923927774.db2.gz DQJBHMIATKCTQT-KGLIPLIRSA-N 2 1 295.431 -0.245 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@@H]2CC[NH+]2C2CC2)C1 ZINC001552987879 923931802 /nfs/dbraw/zinc/93/18/02/923931802.db2.gz PBVMFSGJDYCEFN-AWEZNQCLSA-N 2 1 280.416 -0.167 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NC[C@@H]2CC[N@@H+]2C2CC2)C1 ZINC001552987879 923931814 /nfs/dbraw/zinc/93/18/14/923931814.db2.gz PBVMFSGJDYCEFN-AWEZNQCLSA-N 2 1 280.416 -0.167 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NC[C@@H]2CC[N@H+]2C2CC2)C1 ZINC001552987879 923931825 /nfs/dbraw/zinc/93/18/25/923931825.db2.gz PBVMFSGJDYCEFN-AWEZNQCLSA-N 2 1 280.416 -0.167 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@H]2CC[NH+]2C2CC2)C1 ZINC001552987881 923932692 /nfs/dbraw/zinc/93/26/92/923932692.db2.gz PBVMFSGJDYCEFN-CQSZACIVSA-N 2 1 280.416 -0.167 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NC[C@H]2CC[N@@H+]2C2CC2)C1 ZINC001552987881 923932710 /nfs/dbraw/zinc/93/27/10/923932710.db2.gz PBVMFSGJDYCEFN-CQSZACIVSA-N 2 1 280.416 -0.167 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NC[C@H]2CC[N@H+]2C2CC2)C1 ZINC001552987881 923932714 /nfs/dbraw/zinc/93/27/14/923932714.db2.gz PBVMFSGJDYCEFN-CQSZACIVSA-N 2 1 280.416 -0.167 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC[C@H]([NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553342450 923950444 /nfs/dbraw/zinc/95/04/44/923950444.db2.gz GHYRWXPECOZIAK-DYEKYZERSA-N 3 1 266.389 -0.523 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CCC[C@H]([NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553342450 923950449 /nfs/dbraw/zinc/95/04/49/923950449.db2.gz GHYRWXPECOZIAK-DYEKYZERSA-N 3 1 266.389 -0.523 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CC[C@@H]([NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553347512 923952987 /nfs/dbraw/zinc/95/29/87/923952987.db2.gz GMVSPRCFLHPEAO-LOWVWBTDSA-N 3 1 252.362 -0.913 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CC[C@@H]([NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553347512 923952997 /nfs/dbraw/zinc/95/29/97/923952997.db2.gz GMVSPRCFLHPEAO-LOWVWBTDSA-N 3 1 252.362 -0.913 20 0 CBADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCC(C[NH3+])CC3)C[NH2+]C[C@H]2C1 ZINC001553348807 923954435 /nfs/dbraw/zinc/95/44/35/923954435.db2.gz KIAVUCSSOPHFLX-DZGCQCFKSA-N 3 1 280.416 -0.275 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)N3CCC(C[NH3+])CC3)C[NH2+]C[C@H]2C1 ZINC001553348807 923954447 /nfs/dbraw/zinc/95/44/47/923954447.db2.gz KIAVUCSSOPHFLX-DZGCQCFKSA-N 3 1 280.416 -0.275 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC[C@H]3CCC[NH2+]3)C[NH2+]C[C@H]2C1 ZINC001553355456 923955525 /nfs/dbraw/zinc/95/55/25/923955525.db2.gz YCVRNRAZPYZOJC-SCRDCRAPSA-N 3 1 266.389 -0.604 20 0 CBADMP CN1CC[C@]2(C(=O)NC[C@H]3CCC[NH2+]3)C[NH2+]C[C@H]2C1 ZINC001553355456 923955538 /nfs/dbraw/zinc/95/55/38/923955538.db2.gz YCVRNRAZPYZOJC-SCRDCRAPSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@@H]3CC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553355161 923955905 /nfs/dbraw/zinc/95/59/05/923955905.db2.gz UHPYSPGMKIGAQP-LOWVWBTDSA-N 3 1 252.362 -0.994 20 0 CBADMP CN1CC[C@]2(C(=O)N[C@@H]3CC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553355161 923955913 /nfs/dbraw/zinc/95/59/13/923955913.db2.gz UHPYSPGMKIGAQP-LOWVWBTDSA-N 2 1 252.362 -0.994 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553353464 923956399 /nfs/dbraw/zinc/95/63/99/923956399.db2.gz DTOHFVUKKHDTBJ-YRGRVCCFSA-N 3 1 268.405 -0.373 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@]12C[NH2+]C[C@@H]1CN(C)CC2 ZINC001553353464 923956413 /nfs/dbraw/zinc/95/64/13/923956413.db2.gz DTOHFVUKKHDTBJ-YRGRVCCFSA-N 2 1 268.405 -0.373 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CC[C@@H](C[NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553355925 923956714 /nfs/dbraw/zinc/95/67/14/923956714.db2.gz PWDZEZMZEDJWND-SCRDCRAPSA-N 3 1 266.389 -0.665 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CC[C@@H](C[NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553355925 923956730 /nfs/dbraw/zinc/95/67/30/923956730.db2.gz PWDZEZMZEDJWND-SCRDCRAPSA-N 3 1 266.389 -0.665 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@@H](C[NH3+])C3CC3)C[NH2+]C[C@H]2C1 ZINC001553355603 923957829 /nfs/dbraw/zinc/95/78/29/923957829.db2.gz BOFABLYHDGOHCC-OBJOEFQTSA-N 3 1 266.389 -0.619 20 0 CBADMP CN1CC[C@]2(C(=O)N[C@@H](C[NH3+])C3CC3)C[NH2+]C[C@H]2C1 ZINC001553355603 923957838 /nfs/dbraw/zinc/95/78/38/923957838.db2.gz BOFABLYHDGOHCC-OBJOEFQTSA-N 2 1 266.389 -0.619 20 0 CBADMP C[C@@H]([NH3+])CCNC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001553353174 923958058 /nfs/dbraw/zinc/95/80/58/923958058.db2.gz GOYNBZFGYRGRSK-RKDXNWHRSA-N 2 1 251.334 -0.158 20 0 CBADMP CN(C(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2)[C@H]1CC[NH2+]C1 ZINC001553358078 923961168 /nfs/dbraw/zinc/96/11/68/923961168.db2.gz KKIUTFUDDATYKB-OBJOEFQTSA-N 3 1 266.389 -0.652 20 0 CBADMP CN(C(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2)[C@H]1CC[NH2+]C1 ZINC001553358078 923961173 /nfs/dbraw/zinc/96/11/73/923961173.db2.gz KKIUTFUDDATYKB-OBJOEFQTSA-N 3 1 266.389 -0.652 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N3CCC[C@H]3C[NH3+])cc2C[NH2+]1 ZINC001553356369 923961506 /nfs/dbraw/zinc/96/15/06/923961506.db2.gz CBOVADXLKBCHGW-ZJUUUORDSA-N 2 1 263.345 -0.062 20 0 CBADMP CC(C)NC(=O)CNC(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553371060 923964217 /nfs/dbraw/zinc/96/42/17/923964217.db2.gz BBVKNAWBWSIURY-BXUZGUMPSA-N 2 1 282.388 -0.832 20 0 CBADMP C[C@H](O)CCNC(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553387494 923967686 /nfs/dbraw/zinc/96/76/86/923967686.db2.gz XICCRPANWLZLDP-GMXVVIOVSA-N 2 1 255.362 -0.585 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@@H]3CCCCNC3=O)C[NH2+]C[C@H]2C1 ZINC001553385192 923969024 /nfs/dbraw/zinc/96/90/24/923969024.db2.gz JZJKTJJWXYNCBB-ZOWXZIJZSA-N 2 1 294.399 -0.687 20 0 CBADMP Cn1cc(NC(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)ccc1=O ZINC001553395794 923969358 /nfs/dbraw/zinc/96/93/58/923969358.db2.gz WMYYASKKBZUYQT-IAQYHMDHSA-N 2 1 290.367 -0.135 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC3CCOCC3)C[NH2+]C[C@@H]2C1 ZINC001553397639 923971420 /nfs/dbraw/zinc/97/14/20/923971420.db2.gz POVDSVUZWNEJHH-RISCZKNCSA-N 2 1 267.373 -0.177 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC3CCOCC3)C[NH2+]C[C@H]2C1 ZINC001553397637 923971639 /nfs/dbraw/zinc/97/16/39/923971639.db2.gz POVDSVUZWNEJHH-FZMZJTMJSA-N 2 1 267.373 -0.177 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553407931 923980566 /nfs/dbraw/zinc/98/05/66/923980566.db2.gz IFOBDGXBTIJTSN-USZNOCQGSA-N 2 1 253.346 -0.284 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553411970 923986609 /nfs/dbraw/zinc/98/66/09/923986609.db2.gz SIZMMURCQZUPGY-FVCCEPFGSA-N 2 1 267.373 -0.036 20 0 CBADMP CN(C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)[C@H]1CC[N@@H+](C)C1 ZINC001553422883 923992432 /nfs/dbraw/zinc/99/24/32/923992432.db2.gz MWMJSALUQRCJPB-BJDJZHNGSA-N 2 1 253.346 -0.332 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC[N@H+]1C ZINC001553429285 923996671 /nfs/dbraw/zinc/99/66/71/923996671.db2.gz JYVXALIUESVIDK-GCHJQGSQSA-N 2 1 253.346 -0.285 20 0 CBADMP C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)[C@H]1C[N@@H+](C)CCN1C ZINC001553430939 923999857 /nfs/dbraw/zinc/99/98/57/923999857.db2.gz WTKZTXZQTHYTIW-VJTDZRGJSA-N 2 1 296.415 -0.744 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC001553448813 924002761 /nfs/dbraw/zinc/00/27/61/924002761.db2.gz KUVOVNYRINKLSJ-UMVBOHGHSA-N 2 1 295.431 -0.327 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553501566 924015362 /nfs/dbraw/zinc/01/53/62/924015362.db2.gz GFCYVPDNCSSOGX-IHRRRGAJSA-N 2 1 296.415 -0.021 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553516120 924020749 /nfs/dbraw/zinc/02/07/49/924020749.db2.gz ZAGJWHMBOCDDBW-XQQFMLRXSA-N 2 1 284.404 -0.036 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)N3C[C@@H]([NH3+])[C@@H](N)C3)C[C@@H]2C1 ZINC001553523489 924022174 /nfs/dbraw/zinc/02/21/74/924022174.db2.gz FGQMKTYXCGLBMV-ITGHMWBKSA-N 2 1 295.431 -0.261 20 0 CBADMP [NH3+]CC1(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC001553534683 924025895 /nfs/dbraw/zinc/02/58/95/924025895.db2.gz YTXVUVIDTQJJJN-OLZOCXBDSA-N 2 1 296.415 -0.034 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001553535199 924026083 /nfs/dbraw/zinc/02/60/83/924026083.db2.gz YWBVZMNWDRJCND-HZSPNIEDSA-N 2 1 295.431 -0.374 20 0 CBADMP [NH3+]C1(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC001553541297 924027655 /nfs/dbraw/zinc/02/76/55/924027655.db2.gz XGKSFUHFPKYDGW-NEPJUHHUSA-N 2 1 282.388 -0.282 20 0 CBADMP [NH3+]C1(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC001553541301 924029192 /nfs/dbraw/zinc/02/91/92/924029192.db2.gz XGKSFUHFPKYDGW-VXGBXAGGSA-N 2 1 282.388 -0.282 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001558158945 924152158 /nfs/dbraw/zinc/15/21/58/924152158.db2.gz LEELAIMCGOVOFE-RWMBFGLXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)C1 ZINC001558158945 924152169 /nfs/dbraw/zinc/15/21/69/924152169.db2.gz LEELAIMCGOVOFE-RWMBFGLXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)C1 ZINC001558158945 924152175 /nfs/dbraw/zinc/15/21/75/924152175.db2.gz LEELAIMCGOVOFE-RWMBFGLXSA-N 2 1 267.373 -0.394 20 0 CBADMP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](C)CC1 ZINC000337543713 214147388 /nfs/dbraw/zinc/14/73/88/214147388.db2.gz SHMASTAAYWUCEF-UHFFFAOYSA-N 2 1 272.393 -0.088 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)CC1 ZINC000337543713 214147391 /nfs/dbraw/zinc/14/73/91/214147391.db2.gz SHMASTAAYWUCEF-UHFFFAOYSA-N 2 1 272.393 -0.088 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000337567403 214159878 /nfs/dbraw/zinc/15/98/78/214159878.db2.gz PLRKLIACWHGIDC-DGCLKSJQSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000337567403 214159882 /nfs/dbraw/zinc/15/98/82/214159882.db2.gz PLRKLIACWHGIDC-DGCLKSJQSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000376455351 529377877 /nfs/dbraw/zinc/37/78/77/529377877.db2.gz QFTFEDSODFZKAO-FDYHWXHSSA-N 2 1 285.388 -0.987 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000376455351 529377878 /nfs/dbraw/zinc/37/78/78/529377878.db2.gz QFTFEDSODFZKAO-FDYHWXHSSA-N 2 1 285.388 -0.987 20 0 CBADMP C[C@H](CNC(=O)/C=C\C[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000491861371 230330396 /nfs/dbraw/zinc/33/03/96/230330396.db2.gz AKOPEUXJPNPUKW-CFHLNLSMSA-N 2 1 268.405 -0.144 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000126280498 187229632 /nfs/dbraw/zinc/22/96/32/187229632.db2.gz BLKGZLZHSPZONS-MFKMUULPSA-N 2 1 282.388 -0.561 20 0 CBADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC(=O)N3CCOCC3)C[C@@H]12 ZINC000351488851 219104530 /nfs/dbraw/zinc/10/45/30/219104530.db2.gz GJYGDDVSUBDSJN-YNEHKIRRSA-N 2 1 267.373 -0.096 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351515926 219111058 /nfs/dbraw/zinc/11/10/58/219111058.db2.gz DOPWLZDGDZBFGH-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351560578 219126293 /nfs/dbraw/zinc/12/62/93/219126293.db2.gz RKERPFSGBFQHNF-VXGBXAGGSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000351560096 219126370 /nfs/dbraw/zinc/12/63/70/219126370.db2.gz WBWGTAAUUJRXPC-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000351556175 219125803 /nfs/dbraw/zinc/12/58/03/219125803.db2.gz DPWKUVBBONUNJW-YPMHNXCESA-N 2 1 294.399 -0.545 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000573564875 334947714 /nfs/dbraw/zinc/94/77/14/334947714.db2.gz WKGMDWBDMCOVHC-QCNOEVLYSA-N 2 1 255.362 -0.132 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000573564874 334947813 /nfs/dbraw/zinc/94/78/13/334947813.db2.gz WKGMDWBDMCOVHC-NNYUYHANSA-N 2 1 255.362 -0.132 20 0 CBADMP C[NH2+]CC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000376588658 529956314 /nfs/dbraw/zinc/95/63/14/529956314.db2.gz WOJVTYIPMPBUKA-GFCCVEGCSA-N 2 1 282.388 -0.782 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)[C@@H](C)C[N@H+]1CCO ZINC000576449353 335204550 /nfs/dbraw/zinc/20/45/50/335204550.db2.gz XQSHNDJLZQLASF-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](C)C[NH+]1CCO ZINC000576449353 335204552 /nfs/dbraw/zinc/20/45/52/335204552.db2.gz XQSHNDJLZQLASF-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](C)C[NH+]1CCO ZINC000576449353 335204553 /nfs/dbraw/zinc/20/45/53/335204553.db2.gz XQSHNDJLZQLASF-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)C1CCOCC1)C1CC1 ZINC000351607734 219144649 /nfs/dbraw/zinc/14/46/49/219144649.db2.gz XLMVXZUPJQNYTN-ZIAGYGMSSA-N 2 1 272.389 -0.181 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)C1CCOCC1)C1CC1 ZINC000351607734 219144650 /nfs/dbraw/zinc/14/46/50/219144650.db2.gz XLMVXZUPJQNYTN-ZIAGYGMSSA-N 2 1 272.389 -0.181 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000377542108 530066957 /nfs/dbraw/zinc/06/69/57/530066957.db2.gz HEPRAZOJLPSPKU-LBPRGKRZSA-N 2 1 282.388 -0.652 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000377542108 530066958 /nfs/dbraw/zinc/06/69/58/530066958.db2.gz HEPRAZOJLPSPKU-LBPRGKRZSA-N 2 1 282.388 -0.652 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)CC1 ZINC000377659243 530067173 /nfs/dbraw/zinc/06/71/73/530067173.db2.gz ZREKQRFCVJPWIF-STQMWFEESA-N 2 1 294.399 -0.782 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)CC1 ZINC000377659243 530067174 /nfs/dbraw/zinc/06/71/74/530067174.db2.gz ZREKQRFCVJPWIF-STQMWFEESA-N 2 1 294.399 -0.782 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000366975559 530067428 /nfs/dbraw/zinc/06/74/28/530067428.db2.gz LKZOIJXQDWVNGK-AWEZNQCLSA-N 2 1 296.415 -0.833 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000366975559 530067429 /nfs/dbraw/zinc/06/74/29/530067429.db2.gz LKZOIJXQDWVNGK-AWEZNQCLSA-N 2 1 296.415 -0.833 20 0 CBADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351863416 219229814 /nfs/dbraw/zinc/22/98/14/219229814.db2.gz TWTCJNDRCDMQLR-TUAOUCFPSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351863416 219229817 /nfs/dbraw/zinc/22/98/17/219229817.db2.gz TWTCJNDRCDMQLR-TUAOUCFPSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](O)C[N@H+](CCO)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000351923788 219249680 /nfs/dbraw/zinc/24/96/80/219249680.db2.gz AMACCFYQFXLTAA-LBPRGKRZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](O)C[N@@H+](CCO)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000351923788 219249681 /nfs/dbraw/zinc/24/96/81/219249681.db2.gz AMACCFYQFXLTAA-LBPRGKRZSA-N 2 1 299.415 -0.596 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCNc2cc[nH+]cc2)C1 ZINC000351970428 219271631 /nfs/dbraw/zinc/27/16/31/219271631.db2.gz BMCXURJIFFSUOV-CYBMUJFWSA-N 2 1 278.356 -0.248 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCNc2cc[nH+]cc2)C1 ZINC000351970428 219271633 /nfs/dbraw/zinc/27/16/33/219271633.db2.gz BMCXURJIFFSUOV-CYBMUJFWSA-N 2 1 278.356 -0.248 20 0 CBADMP CC[N@@H+](CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C(C)C ZINC000352086572 219313287 /nfs/dbraw/zinc/31/32/87/219313287.db2.gz FBQQFEGBWIALLW-ZDUSSCGKSA-N 2 1 286.420 -0.068 20 0 CBADMP COCC[NH2+]CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000092495431 180396420 /nfs/dbraw/zinc/39/64/20/180396420.db2.gz FSNXJKOCTDVEIB-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000092495430 180396491 /nfs/dbraw/zinc/39/64/91/180396491.db2.gz FSNXJKOCTDVEIB-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H](CNC(=O)NCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000133726832 282716743 /nfs/dbraw/zinc/71/67/43/282716743.db2.gz KIUMZUDJBMYULY-LBPRGKRZSA-N 2 1 272.393 -0.185 20 0 CBADMP COCCC[N@@H+](CCOC)CCN1CC[NH2+]CC1 ZINC000042425405 351431209 /nfs/dbraw/zinc/43/12/09/351431209.db2.gz QNBNAUQRNZFHFC-UHFFFAOYSA-N 2 1 259.394 -0.124 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000055084564 351540551 /nfs/dbraw/zinc/54/05/51/351540551.db2.gz HFZLZGRABJXXPE-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C[NH+]1CCCC1 ZINC000062076440 351573702 /nfs/dbraw/zinc/57/37/02/351573702.db2.gz BHASCAGKKORPCG-ZJUUUORDSA-N 2 1 256.350 -0.963 20 0 CBADMP CCN(CC)C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179669 351580045 /nfs/dbraw/zinc/58/00/45/351580045.db2.gz ROSNREBWCVAXRS-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179819 351580109 /nfs/dbraw/zinc/58/01/09/351580109.db2.gz QACHKDIYNMVDDM-LLVKDONJSA-N 2 1 270.377 -0.701 20 0 CBADMP Cc1noc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000063180250 351580183 /nfs/dbraw/zinc/58/01/83/351580183.db2.gz YVONUDAYBNHQMN-JTQLQIEISA-N 2 1 267.333 -0.335 20 0 CBADMP Cc1noc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000063180250 351580189 /nfs/dbraw/zinc/58/01/89/351580189.db2.gz YVONUDAYBNHQMN-JTQLQIEISA-N 2 1 267.333 -0.335 20 0 CBADMP COC(=O)CCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179785 351580281 /nfs/dbraw/zinc/58/02/81/351580281.db2.gz UQUBMIDJEJPCKM-NSHDSACASA-N 2 1 271.361 -0.274 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180200 351580439 /nfs/dbraw/zinc/58/04/39/351580439.db2.gz WSLJATVSUUFUII-VHSXEESVSA-N 2 1 256.350 -0.963 20 0 CBADMP CN(C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)C1CC1 ZINC000063179965 351580649 /nfs/dbraw/zinc/58/06/49/351580649.db2.gz UNJJBPIHXGCVOZ-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP Cn1ccnc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179744 351580681 /nfs/dbraw/zinc/58/06/81/351580681.db2.gz VFFBHJUBXLYDGT-NSHDSACASA-N 2 1 265.361 -0.293 20 0 CBADMP Cn1ccnc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179744 351580684 /nfs/dbraw/zinc/58/06/84/351580684.db2.gz VFFBHJUBXLYDGT-NSHDSACASA-N 2 1 265.361 -0.293 20 0 CBADMP CCCCNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179953 351580695 /nfs/dbraw/zinc/58/06/95/351580695.db2.gz ARATVQHRKKLBRA-LBPRGKRZSA-N 2 1 284.404 -0.310 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000070174284 351635537 /nfs/dbraw/zinc/63/55/37/351635537.db2.gz OBHHBEBJZUBDEU-OCCSQVGLSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000070174284 351635538 /nfs/dbraw/zinc/63/55/38/351635538.db2.gz OBHHBEBJZUBDEU-OCCSQVGLSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000070171090 351636058 /nfs/dbraw/zinc/63/60/58/351636058.db2.gz AGJMWDSUYKLEDV-CQSZACIVSA-N 2 1 296.415 -0.262 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000072826405 351650273 /nfs/dbraw/zinc/65/02/73/351650273.db2.gz YMKNAPUMQIWZIJ-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000072826405 351650274 /nfs/dbraw/zinc/65/02/74/351650274.db2.gz YMKNAPUMQIWZIJ-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000072826403 351650741 /nfs/dbraw/zinc/65/07/41/351650741.db2.gz YMKNAPUMQIWZIJ-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000072826403 351650744 /nfs/dbraw/zinc/65/07/44/351650744.db2.gz YMKNAPUMQIWZIJ-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073644085 351655140 /nfs/dbraw/zinc/65/51/40/351655140.db2.gz VTTRTZBMCXHSNX-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnc[nH]1 ZINC000076592512 351677677 /nfs/dbraw/zinc/67/76/77/351677677.db2.gz KDQCPZSNYLNIOL-UHFFFAOYSA-N 2 1 253.350 -0.025 20 0 CBADMP C[C@@]1(C(=O)NCCC[NH+]2CCOCC2)CCC[NH2+]1 ZINC000079511625 351692756 /nfs/dbraw/zinc/69/27/56/351692756.db2.gz XMPXFXVFTSAFOJ-ZDUSSCGKSA-N 2 1 255.362 -0.033 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000081354706 351705562 /nfs/dbraw/zinc/70/55/62/351705562.db2.gz LDPBBYCIAFIXGV-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000081354706 351705563 /nfs/dbraw/zinc/70/55/63/351705563.db2.gz LDPBBYCIAFIXGV-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081354795 351705595 /nfs/dbraw/zinc/70/55/95/351705595.db2.gz AUEIUUCXGSWFIE-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081354795 351705597 /nfs/dbraw/zinc/70/55/97/351705597.db2.gz AUEIUUCXGSWFIE-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000088372403 351725169 /nfs/dbraw/zinc/72/51/69/351725169.db2.gz CWCHAPZPQRTGBM-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[NH+](CCC(=O)NC)CC1 ZINC000103492424 351787696 /nfs/dbraw/zinc/78/76/96/351787696.db2.gz DCNUIWLOZPYPBV-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000111547781 351802390 /nfs/dbraw/zinc/80/23/90/351802390.db2.gz WDTNFMCCKCLCSR-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000111547781 351802392 /nfs/dbraw/zinc/80/23/92/351802392.db2.gz WDTNFMCCKCLCSR-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP Cn1c(C[N@H+](C)CC(C)(C)C[NH3+])cc(=O)n(C)c1=O ZINC000093874160 351762536 /nfs/dbraw/zinc/76/25/36/351762536.db2.gz WVDMJOXTFPDYPI-UHFFFAOYSA-N 2 1 268.361 -0.499 20 0 CBADMP Cn1c(C[N@@H+](C)CC(C)(C)C[NH3+])cc(=O)n(C)c1=O ZINC000093874160 351762541 /nfs/dbraw/zinc/76/25/41/351762541.db2.gz WVDMJOXTFPDYPI-UHFFFAOYSA-N 2 1 268.361 -0.499 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000111581767 351803817 /nfs/dbraw/zinc/80/38/17/351803817.db2.gz PBMJSJVHSGPOIV-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000111581767 351803818 /nfs/dbraw/zinc/80/38/18/351803818.db2.gz PBMJSJVHSGPOIV-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP C[N@@H+](CCC(=O)NC(N)=O)C[C@@H]1CCC[NH+](C)C1 ZINC000118843685 351829894 /nfs/dbraw/zinc/82/98/94/351829894.db2.gz JPDKQVQZNOGCSB-SNVBAGLBSA-N 2 1 256.350 -0.155 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478257 351816983 /nfs/dbraw/zinc/81/69/83/351816983.db2.gz AYQFGIGHVYXNGD-GFCCVEGCSA-N 2 1 285.388 -0.109 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000114384919 351817550 /nfs/dbraw/zinc/81/75/50/351817550.db2.gz JUGXWFRGKCMQFB-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000126276957 351859198 /nfs/dbraw/zinc/85/91/98/351859198.db2.gz FSZDZYYMQVFBCX-AAEUAGOBSA-N 2 1 284.404 -0.456 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000148977688 351929703 /nfs/dbraw/zinc/92/97/03/351929703.db2.gz PXPDRKHSCCPHIA-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000148977688 351929706 /nfs/dbraw/zinc/92/97/06/351929706.db2.gz PXPDRKHSCCPHIA-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000148977463 351929856 /nfs/dbraw/zinc/92/98/56/351929856.db2.gz PXPDRKHSCCPHIA-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000148977463 351929859 /nfs/dbraw/zinc/92/98/59/351929859.db2.gz PXPDRKHSCCPHIA-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000131590797 351887692 /nfs/dbraw/zinc/88/76/92/351887692.db2.gz XUWLDJXBMRWKBW-AAEUAGOBSA-N 2 1 282.388 -0.654 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000131590797 351887696 /nfs/dbraw/zinc/88/76/96/351887696.db2.gz XUWLDJXBMRWKBW-AAEUAGOBSA-N 2 1 282.388 -0.654 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000132228549 351891018 /nfs/dbraw/zinc/89/10/18/351891018.db2.gz KYPCOEUCEZTWIH-UHFFFAOYSA-N 2 1 271.361 -0.308 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000132959594 351896599 /nfs/dbraw/zinc/89/65/99/351896599.db2.gz WGXFCODOPYFEJK-GRYCIOLGSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000133632116 351900979 /nfs/dbraw/zinc/90/09/79/351900979.db2.gz ZIOYTLQMVWUTDU-OUAUKWLOSA-N 2 1 268.361 -0.144 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)CC[N@H+]1C ZINC000157865926 351957337 /nfs/dbraw/zinc/95/73/37/351957337.db2.gz MJNZLYDSRLQMPA-NEPJUHHUSA-N 2 1 254.378 -0.510 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CCOCC2)CC[N@H+]1C ZINC000158249396 351958675 /nfs/dbraw/zinc/95/86/75/351958675.db2.gz ZWPSUAYSIDXIRF-MCIONIFRSA-N 2 1 271.405 -0.248 20 0 CBADMP C[C@H]([NH3+])C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000165970194 351986754 /nfs/dbraw/zinc/98/67/54/351986754.db2.gz FSERQMVZJQSSCJ-NSHDSACASA-N 2 1 256.394 -0.277 20 0 CBADMP COCC[NH2+]CC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000167265068 351989770 /nfs/dbraw/zinc/98/97/70/351989770.db2.gz ZCCJVVVUUPICBV-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000167978193 351990431 /nfs/dbraw/zinc/99/04/31/351990431.db2.gz XTGMUTNLIGIQEK-IJLUTSLNSA-N 2 1 257.378 -0.117 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000167978193 351990434 /nfs/dbraw/zinc/99/04/34/351990434.db2.gz XTGMUTNLIGIQEK-IJLUTSLNSA-N 2 1 257.378 -0.117 20 0 CBADMP CSCC[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000167979266 351990917 /nfs/dbraw/zinc/99/09/17/351990917.db2.gz BUORJDQFNZBKMB-TUAOUCFPSA-N 2 1 289.445 -0.020 20 0 CBADMP CSCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000167979266 351990920 /nfs/dbraw/zinc/99/09/20/351990920.db2.gz BUORJDQFNZBKMB-TUAOUCFPSA-N 2 1 289.445 -0.020 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)C2(OC)CC[NH2+]CC2)C[C@@H]1C ZINC000168030129 351991526 /nfs/dbraw/zinc/99/15/26/351991526.db2.gz VCZSYKRMDHXZQO-ZDUSSCGKSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+]1CCN(C(=O)C2(OC)CC[NH2+]CC2)C[C@@H]1C ZINC000168030129 351991529 /nfs/dbraw/zinc/99/15/29/351991529.db2.gz VCZSYKRMDHXZQO-ZDUSSCGKSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000168032687 351992152 /nfs/dbraw/zinc/99/21/52/351992152.db2.gz NVMDNHGASOHATL-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000168032687 351992153 /nfs/dbraw/zinc/99/21/53/351992153.db2.gz NVMDNHGASOHATL-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CN(C)CCO2)C[C@H](C)O1 ZINC000174500599 352046704 /nfs/dbraw/zinc/04/67/04/352046704.db2.gz QMOMMERSYPOHRB-MJBXVCDLSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H]1CN(CCCNC(=O)[C@@H]2CN(C)CCO2)C[C@H](C)O1 ZINC000174500599 352046705 /nfs/dbraw/zinc/04/67/05/352046705.db2.gz QMOMMERSYPOHRB-MJBXVCDLSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000172810556 352031111 /nfs/dbraw/zinc/03/11/11/352031111.db2.gz SPXSVPNSNPWXKR-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186704445 352129710 /nfs/dbraw/zinc/12/97/10/352129710.db2.gz TYCQBULQBIPBNZ-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186704445 352129715 /nfs/dbraw/zinc/12/97/15/352129715.db2.gz TYCQBULQBIPBNZ-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH2+]CCCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186700952 352130403 /nfs/dbraw/zinc/13/04/03/352130403.db2.gz GKKUZRUVNBPRTD-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C[NH2+]CC2CC2)CC1 ZINC000178700252 352081124 /nfs/dbraw/zinc/08/11/24/352081124.db2.gz ZTHKPUCWPXNBRV-UHFFFAOYSA-N 2 1 282.388 -0.734 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000178700307 352081829 /nfs/dbraw/zinc/08/18/29/352081829.db2.gz KGXVUNKJIJJYGC-NSHDSACASA-N 2 1 268.361 -0.981 20 0 CBADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000178838397 352083377 /nfs/dbraw/zinc/08/33/77/352083377.db2.gz QCYDKTCLEVUWCW-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000178838397 352083378 /nfs/dbraw/zinc/08/33/78/352083378.db2.gz QCYDKTCLEVUWCW-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000178811504 352083743 /nfs/dbraw/zinc/08/37/43/352083743.db2.gz NYHVZCQROLFBCV-GFCCVEGCSA-N 2 1 261.341 -0.228 20 0 CBADMP C[C@H]1CN(C(=O)CCC[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000178862134 352084371 /nfs/dbraw/zinc/08/43/71/352084371.db2.gz LJQYPQYYNNTBQQ-RYUDHWBXSA-N 2 1 255.362 -0.096 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000179309550 352089241 /nfs/dbraw/zinc/08/92/41/352089241.db2.gz TXSXLFLCYFYJKI-ZDUSSCGKSA-N 2 1 259.394 -0.437 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180965288 352097480 /nfs/dbraw/zinc/09/74/80/352097480.db2.gz HCLJBVSWIHWVTD-CQSZACIVSA-N 2 1 273.421 -0.049 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000180987116 352097851 /nfs/dbraw/zinc/09/78/51/352097851.db2.gz RASZPZDSZUZTCI-HNNXBMFYSA-N 2 1 296.415 -0.201 20 0 CBADMP Cn1cc([C@H]2C[NH2+]CCN2C(=O)[C@@H]2CCC[NH2+]C2)cn1 ZINC000181391028 352099395 /nfs/dbraw/zinc/09/93/95/352099395.db2.gz NXRHXZBZQUSNHM-DGCLKSJQSA-N 2 1 277.372 -0.107 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000182352243 352102977 /nfs/dbraw/zinc/10/29/77/352102977.db2.gz SRYRGQJEQKOTDU-STQMWFEESA-N 2 1 258.362 -0.352 20 0 CBADMP CC[C@]1(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000184154702 352112163 /nfs/dbraw/zinc/11/21/63/352112163.db2.gz GIDZUUNNWVLQTP-OAHLLOKOSA-N 2 1 296.415 -0.201 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000187188607 352136409 /nfs/dbraw/zinc/13/64/09/352136409.db2.gz OKFRROWKIOTOHO-GMTAPVOTSA-N 2 1 263.407 -0.146 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000187188607 352136415 /nfs/dbraw/zinc/13/64/15/352136415.db2.gz OKFRROWKIOTOHO-GMTAPVOTSA-N 2 1 263.407 -0.146 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188779091 352158219 /nfs/dbraw/zinc/15/82/19/352158219.db2.gz PLMSLOSYDZSXJC-WDEREUQCSA-N 2 1 261.341 -0.229 20 0 CBADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188981554 352162298 /nfs/dbraw/zinc/16/22/98/352162298.db2.gz MJSLVFTZLQYXQY-SDDRHHMPSA-N 2 1 273.352 -0.399 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC[N@@H+]1CCOC ZINC000187950971 352144837 /nfs/dbraw/zinc/14/48/37/352144837.db2.gz OEJOVUSWOBDHFA-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC[N@H+]1CCOC ZINC000187950971 352144838 /nfs/dbraw/zinc/14/48/38/352144838.db2.gz OEJOVUSWOBDHFA-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188037716 352146422 /nfs/dbraw/zinc/14/64/22/352146422.db2.gz FKLLQZSSEGHXMB-QWHCGFSZSA-N 2 1 285.388 -0.552 20 0 CBADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000188108246 352147163 /nfs/dbraw/zinc/14/71/63/352147163.db2.gz PQFQCUAJTRAJDX-HZSPNIEDSA-N 2 1 299.415 -0.020 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221173882 352240083 /nfs/dbraw/zinc/24/00/83/352240083.db2.gz WSLJATVSUUFUII-NXEZZACHSA-N 2 1 256.350 -0.963 20 0 CBADMP C[NH2+]CC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000193139244 352203260 /nfs/dbraw/zinc/20/32/60/352203260.db2.gz SOCNPYBRXBUPHI-KGLIPLIRSA-N 2 1 277.368 -0.043 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@H](C[NH3+])OC)CC1 ZINC000227369296 352257365 /nfs/dbraw/zinc/25/73/65/352257365.db2.gz XPXUQVWDLKWXCP-NSHDSACASA-N 2 1 259.350 -0.859 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000227575459 352257811 /nfs/dbraw/zinc/25/78/11/352257811.db2.gz WFNRVPCCBONVLC-YPMHNXCESA-N 2 1 267.373 -0.035 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228074375 352260336 /nfs/dbraw/zinc/26/03/36/352260336.db2.gz APPVBTIZIOCFRW-LPEHRKFASA-N 2 1 256.350 -0.110 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228074375 352260338 /nfs/dbraw/zinc/26/03/38/352260338.db2.gz APPVBTIZIOCFRW-LPEHRKFASA-N 2 1 256.350 -0.110 20 0 CBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473074 352261810 /nfs/dbraw/zinc/26/18/10/352261810.db2.gz LRIIRHYWEBACQO-HBNTYKKESA-N 2 1 268.361 -0.109 20 0 CBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473074 352261813 /nfs/dbraw/zinc/26/18/13/352261813.db2.gz LRIIRHYWEBACQO-HBNTYKKESA-N 2 1 268.361 -0.109 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000230993191 352274955 /nfs/dbraw/zinc/27/49/55/352274955.db2.gz WAOUFUBRRHESBC-MNOVXSKESA-N 2 1 263.407 -0.050 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000230993191 352274960 /nfs/dbraw/zinc/27/49/60/352274960.db2.gz WAOUFUBRRHESBC-MNOVXSKESA-N 2 1 263.407 -0.050 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000226343517 352252372 /nfs/dbraw/zinc/25/23/72/352252372.db2.gz WGNQCXZXDARHBX-UWVGGRQHSA-N 2 1 256.350 -0.109 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000226343517 352252375 /nfs/dbraw/zinc/25/23/75/352252375.db2.gz WGNQCXZXDARHBX-UWVGGRQHSA-N 2 1 256.350 -0.109 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226540683 352252882 /nfs/dbraw/zinc/25/28/82/352252882.db2.gz BWIPHUWKKZNONQ-KXUCPTDWSA-N 2 1 256.350 -0.110 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226540683 352252886 /nfs/dbraw/zinc/25/28/86/352252886.db2.gz BWIPHUWKKZNONQ-KXUCPTDWSA-N 2 1 256.350 -0.110 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NCCC[NH+]1CCOCC1 ZINC000232111884 352279060 /nfs/dbraw/zinc/27/90/60/352279060.db2.gz SAVYOHKQIIWXPR-LLVKDONJSA-N 2 1 259.350 -0.811 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000236781324 352294071 /nfs/dbraw/zinc/29/40/71/352294071.db2.gz SDUOHRCHHMUXTG-LLVKDONJSA-N 2 1 255.362 -0.049 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000236874836 352294680 /nfs/dbraw/zinc/29/46/80/352294680.db2.gz UCIMPANYHRMFTJ-CYBMUJFWSA-N 2 1 268.405 -0.133 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCC(C)(C)[NH3+])CC1 ZINC000236844367 352295105 /nfs/dbraw/zinc/29/51/05/352295105.db2.gz BYJSCGMENGCAKV-UHFFFAOYSA-N 2 1 256.394 -0.133 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]C)CC2)C1 ZINC000236899610 352295946 /nfs/dbraw/zinc/29/59/46/352295946.db2.gz KEQSERGQDBBQJG-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]C)CC2)C1 ZINC000236899610 352295951 /nfs/dbraw/zinc/29/59/51/352295951.db2.gz KEQSERGQDBBQJG-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)C1 ZINC000236899952 352296189 /nfs/dbraw/zinc/29/61/89/352296189.db2.gz ZSUYQWABYXPAFM-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)C1 ZINC000236899952 352296192 /nfs/dbraw/zinc/29/61/92/352296192.db2.gz ZSUYQWABYXPAFM-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP CCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000236919877 352296293 /nfs/dbraw/zinc/29/62/93/352296293.db2.gz KJZOXAWUTFKZMR-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)C[NH2+]C2CC2)CC1 ZINC000236877823 352296393 /nfs/dbraw/zinc/29/63/93/352296393.db2.gz NAIVPPFONQLPGK-UHFFFAOYSA-N 2 1 268.405 -0.118 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[NH2+]C1CC1 ZINC000237027715 352297995 /nfs/dbraw/zinc/29/79/95/352297995.db2.gz GLBJSIGZHIMQGZ-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP COCC[NH2+]CC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000237156578 352300215 /nfs/dbraw/zinc/30/02/15/352300215.db2.gz XCODTHXXTKFKOZ-CYBMUJFWSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[N@H+](C)CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000237190811 352301230 /nfs/dbraw/zinc/30/12/30/352301230.db2.gz SKFTZMGIJAXNRE-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000237190811 352301232 /nfs/dbraw/zinc/30/12/32/352301232.db2.gz SKFTZMGIJAXNRE-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)C[NH+]1CCOCC1 ZINC000237575062 352306879 /nfs/dbraw/zinc/30/68/79/352306879.db2.gz GODJWZRXFJPBPH-RYUDHWBXSA-N 2 1 271.361 -0.941 20 0 CBADMP O=C(NCCCN1CC[NH2+]CC1)[C@H]1CSC[NH2+]1 ZINC000238028868 352312748 /nfs/dbraw/zinc/31/27/48/352312748.db2.gz RXTLVBVYFHOAOH-SNVBAGLBSA-N 2 1 258.391 -0.940 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000245470146 352321859 /nfs/dbraw/zinc/32/18/59/352321859.db2.gz WADJWNJHTLPUNL-KBPBESRZSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000245470146 352321862 /nfs/dbraw/zinc/32/18/62/352321862.db2.gz WADJWNJHTLPUNL-KBPBESRZSA-N 2 1 297.399 -0.314 20 0 CBADMP OC[C@@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@@H](CO)C2)C1 ZINC000245894699 352326646 /nfs/dbraw/zinc/32/66/46/352326646.db2.gz CUORCZQUUMYSNR-ZIAGYGMSSA-N 2 1 286.416 -0.244 20 0 CBADMP OC[C@@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@@H](CO)C2)C1 ZINC000245894699 352326648 /nfs/dbraw/zinc/32/66/48/352326648.db2.gz CUORCZQUUMYSNR-ZIAGYGMSSA-N 2 1 286.416 -0.244 20 0 CBADMP CN1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000246990255 352341208 /nfs/dbraw/zinc/34/12/08/352341208.db2.gz NDHDTRVGIJMRFJ-YPMHNXCESA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000246990255 352341212 /nfs/dbraw/zinc/34/12/12/352341212.db2.gz NDHDTRVGIJMRFJ-YPMHNXCESA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000246990255 352341216 /nfs/dbraw/zinc/34/12/16/352341216.db2.gz NDHDTRVGIJMRFJ-YPMHNXCESA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000246990255 352341219 /nfs/dbraw/zinc/34/12/19/352341219.db2.gz NDHDTRVGIJMRFJ-YPMHNXCESA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000246990255 352341223 /nfs/dbraw/zinc/34/12/23/352341223.db2.gz NDHDTRVGIJMRFJ-YPMHNXCESA-N 2 1 267.373 -0.083 20 0 CBADMP CNC(=O)[C@@H]1CCCN1CCC[N@H+]1CCC[C@H]1C(=O)NC ZINC000246981615 352341439 /nfs/dbraw/zinc/34/14/39/352341439.db2.gz LWQZWBULDXPDLD-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)NC(N)=O)CC[C@H]21 ZINC000247944359 352349133 /nfs/dbraw/zinc/34/91/33/352349133.db2.gz HAPDNYSAIXCCDO-GHMZBOCLSA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)NC(N)=O)CC[C@H]21 ZINC000247944359 352349137 /nfs/dbraw/zinc/34/91/37/352349137.db2.gz HAPDNYSAIXCCDO-GHMZBOCLSA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)NC(N)=O)CC[C@H]21 ZINC000247944359 352349143 /nfs/dbraw/zinc/34/91/43/352349143.db2.gz HAPDNYSAIXCCDO-GHMZBOCLSA-N 2 1 268.361 -0.013 20 0 CBADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCN3C(=O)CNC3=O)CC[C@H]21 ZINC000247921215 352349559 /nfs/dbraw/zinc/34/95/59/352349559.db2.gz BEBGYABVDNUOIO-VXGBXAGGSA-N 2 1 280.372 -0.046 20 0 CBADMP C[N@H+]1CCC[C@@H]2C[NH+](CCN3C(=O)CNC3=O)CC[C@H]21 ZINC000247921215 352349561 /nfs/dbraw/zinc/34/95/61/352349561.db2.gz BEBGYABVDNUOIO-VXGBXAGGSA-N 2 1 280.372 -0.046 20 0 CBADMP C[NH+]1CCC[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)CC[C@H]21 ZINC000247921215 352349562 /nfs/dbraw/zinc/34/95/62/352349562.db2.gz BEBGYABVDNUOIO-VXGBXAGGSA-N 2 1 280.372 -0.046 20 0 CBADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)CC[C@H]21 ZINC000247921215 352349564 /nfs/dbraw/zinc/34/95/64/352349564.db2.gz BEBGYABVDNUOIO-VXGBXAGGSA-N 2 1 280.372 -0.046 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H]1C ZINC000248994291 352359907 /nfs/dbraw/zinc/35/99/07/352359907.db2.gz JWPURCLWOQUJBH-NOOOWODRSA-N 2 1 273.352 -0.400 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H]1C ZINC000248994291 352359910 /nfs/dbraw/zinc/35/99/10/352359910.db2.gz JWPURCLWOQUJBH-NOOOWODRSA-N 2 1 273.352 -0.400 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000252408126 352376022 /nfs/dbraw/zinc/37/60/22/352376022.db2.gz IKENJHYZPILXDX-WISYIIOYSA-N 2 1 253.346 -0.548 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CCC[NH2+]1 ZINC000252552058 352378090 /nfs/dbraw/zinc/37/80/90/352378090.db2.gz PZKHANZTGZKQJC-TUAOUCFPSA-N 2 1 253.346 -0.282 20 0 CBADMP C[NH2+]CCCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252556267 352378434 /nfs/dbraw/zinc/37/84/34/352378434.db2.gz STQPLQXNOYTTFU-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(=O)n(C)c1=O ZINC000252668402 352379298 /nfs/dbraw/zinc/37/92/98/352379298.db2.gz WJHLHLKLAVLUHW-STQMWFEESA-N 2 1 292.383 -0.200 20 0 CBADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(=O)n(C)c1=O ZINC000252668402 352379302 /nfs/dbraw/zinc/37/93/02/352379302.db2.gz WJHLHLKLAVLUHW-STQMWFEESA-N 2 1 292.383 -0.200 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252874642 352380246 /nfs/dbraw/zinc/38/02/46/352380246.db2.gz VIABQYBIVJRXRH-LPEHRKFASA-N 2 1 254.334 -0.499 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252874642 352380247 /nfs/dbraw/zinc/38/02/47/352380247.db2.gz VIABQYBIVJRXRH-LPEHRKFASA-N 2 1 254.334 -0.499 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261568808 352387840 /nfs/dbraw/zinc/38/78/40/352387840.db2.gz JKWSGOKNENUZKY-UWVGGRQHSA-N 2 1 254.334 -0.484 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261568808 352387844 /nfs/dbraw/zinc/38/78/44/352387844.db2.gz JKWSGOKNENUZKY-UWVGGRQHSA-N 2 1 254.334 -0.484 20 0 CBADMP COC1(C(=O)NC[C@H]2CCC[N@H+]2C)CC[NH2+]CC1 ZINC000261577401 352389170 /nfs/dbraw/zinc/38/91/70/352389170.db2.gz OGWHWFOGKCBKMN-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000261726768 352394173 /nfs/dbraw/zinc/39/41/73/352394173.db2.gz JSBZFBVBWPILAB-ZDUSSCGKSA-N 2 1 255.362 -0.094 20 0 CBADMP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000261741094 352395465 /nfs/dbraw/zinc/39/54/65/352395465.db2.gz MCJKLZFMCVCANI-QWRGUYRKSA-N 2 1 280.372 -0.142 20 0 CBADMP CC1(C)NC(=O)N(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000261741094 352395469 /nfs/dbraw/zinc/39/54/69/352395469.db2.gz MCJKLZFMCVCANI-QWRGUYRKSA-N 2 1 280.372 -0.142 20 0 CBADMP C[C@]1(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)CC[NH2+]C1 ZINC000261747763 352395667 /nfs/dbraw/zinc/39/56/67/352395667.db2.gz JGOYIXJXHUTKSM-ZFWWWQNUSA-N 2 1 280.416 -0.118 20 0 CBADMP C[C@]1(C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)CC[NH2+]C1 ZINC000261747763 352395670 /nfs/dbraw/zinc/39/56/70/352395670.db2.gz JGOYIXJXHUTKSM-ZFWWWQNUSA-N 2 1 280.416 -0.118 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261789470 352396339 /nfs/dbraw/zinc/39/63/39/352396339.db2.gz UTTFZSXSXCYDRO-DOMZBBRYSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261789470 352396344 /nfs/dbraw/zinc/39/63/44/352396344.db2.gz UTTFZSXSXCYDRO-DOMZBBRYSA-N 2 1 296.415 -0.264 20 0 CBADMP O=C1CNCCN1[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261790517 352396463 /nfs/dbraw/zinc/39/64/63/352396463.db2.gz QEHGAHBVKIFDSN-AWEZNQCLSA-N 2 1 280.416 -0.118 20 0 CBADMP CCNC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000262147039 352408613 /nfs/dbraw/zinc/40/86/13/352408613.db2.gz QPZVEUZRRKDQHQ-GFCCVEGCSA-N 2 1 282.388 -0.734 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C[NH+]1CCOCC1 ZINC000262179191 352409280 /nfs/dbraw/zinc/40/92/80/352409280.db2.gz ZASASECDPQCEKW-XQQFMLRXSA-N 2 1 285.388 -0.423 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)NC(C)(C)C ZINC000262196802 352410107 /nfs/dbraw/zinc/41/01/07/352410107.db2.gz RXNZSMOYFIBEPP-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP COC[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000262275485 352412963 /nfs/dbraw/zinc/41/29/63/352412963.db2.gz YTXSQUHYKKKPDG-LBPRGKRZSA-N 2 1 271.361 -0.845 20 0 CBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CNC(=O)C[NH3+] ZINC000262397716 352420110 /nfs/dbraw/zinc/42/01/10/352420110.db2.gz NESBWSKSGFQJIV-TUAOUCFPSA-N 2 1 284.404 -0.456 20 0 CBADMP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@@H]1COCC[NH2+]1 ZINC000262409639 352420508 /nfs/dbraw/zinc/42/05/08/352420508.db2.gz QMKYZRSPJKCYCK-KGLIPLIRSA-N 2 1 275.352 -0.022 20 0 CBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262447443 352422409 /nfs/dbraw/zinc/42/24/09/352422409.db2.gz UHERHYBXYOENSU-FRRDWIJNSA-N 2 1 269.389 -0.054 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262490215 352423633 /nfs/dbraw/zinc/42/36/33/352423633.db2.gz ZFSUNTGFOHOBJT-QJPTWQEYSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000262513952 352424248 /nfs/dbraw/zinc/42/42/48/352424248.db2.gz MPFABAJCRQHCAK-NDBYEHHHSA-N 2 1 269.389 -0.054 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262566809 352426657 /nfs/dbraw/zinc/42/66/57/352426657.db2.gz YCGVRGSVGDZQPQ-IJLUTSLNSA-N 2 1 255.362 -0.300 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]C)C1 ZINC000262586567 352427518 /nfs/dbraw/zinc/42/75/18/352427518.db2.gz OWQDLKBWMPQRNT-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]C)C1 ZINC000262586567 352427521 /nfs/dbraw/zinc/42/75/21/352427521.db2.gz OWQDLKBWMPQRNT-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262666647 352430328 /nfs/dbraw/zinc/43/03/28/352430328.db2.gz KFOKUUVXBBCRJN-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262949915 352436371 /nfs/dbraw/zinc/43/63/71/352436371.db2.gz VIWHBDVWUAYHNR-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262949915 352436373 /nfs/dbraw/zinc/43/63/73/352436373.db2.gz VIWHBDVWUAYHNR-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC000262039921 352404170 /nfs/dbraw/zinc/40/41/70/352404170.db2.gz HOKKVNFRGWJAKW-HZSPNIEDSA-N 3 1 280.416 -0.133 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)N3CCNCC3)C[C@@H]21 ZINC000262039921 352404172 /nfs/dbraw/zinc/40/41/72/352404172.db2.gz HOKKVNFRGWJAKW-HZSPNIEDSA-N 2 1 280.416 -0.133 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)N3CCNCC3)C[C@@H]21 ZINC000262039921 352404174 /nfs/dbraw/zinc/40/41/74/352404174.db2.gz HOKKVNFRGWJAKW-HZSPNIEDSA-N 2 1 280.416 -0.133 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000262028200 352404262 /nfs/dbraw/zinc/40/42/62/352404262.db2.gz PFQRYKBZBRDFMD-RDBSUJKOSA-N 2 1 299.415 -0.034 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC000262039923 352404348 /nfs/dbraw/zinc/40/43/48/352404348.db2.gz HOKKVNFRGWJAKW-MELADBBJSA-N 3 1 280.416 -0.133 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)N3CCNCC3)C[C@@H]21 ZINC000262039923 352404351 /nfs/dbraw/zinc/40/43/51/352404351.db2.gz HOKKVNFRGWJAKW-MELADBBJSA-N 2 1 280.416 -0.133 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)N3CCNCC3)C[C@@H]21 ZINC000262039923 352404354 /nfs/dbraw/zinc/40/43/54/352404354.db2.gz HOKKVNFRGWJAKW-MELADBBJSA-N 2 1 280.416 -0.133 20 0 CBADMP NC(=O)C[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262146688 352407965 /nfs/dbraw/zinc/40/79/65/352407965.db2.gz OYIKSQDIOONNAF-LBPRGKRZSA-N 2 1 282.388 -0.604 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000269257512 352465327 /nfs/dbraw/zinc/46/53/27/352465327.db2.gz KMHBYHAWVXFVEA-SECBINFHSA-N 2 1 253.350 -0.042 20 0 CBADMP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)c1cccc(F)c1 ZINC000269727796 352480552 /nfs/dbraw/zinc/48/05/52/352480552.db2.gz RMJCOYXWAKHCOQ-NEPJUHHUSA-N 2 1 296.346 -0.253 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000290036459 352671468 /nfs/dbraw/zinc/67/14/68/352671468.db2.gz SFDCQDNKMXINFW-MWLCHTKSSA-N 2 1 254.334 -0.082 20 0 CBADMP C[C@@H]1CCN(CC(=O)N2CCN(C)CC2)C[C@H]1O ZINC000299902782 352730803 /nfs/dbraw/zinc/73/08/03/352730803.db2.gz HYPFKXRLBUUAKL-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1CCN(CC(=O)N2CCN(C)CC2)C[C@H]1O ZINC000299902780 352731378 /nfs/dbraw/zinc/73/13/78/352731378.db2.gz HYPFKXRLBUUAKL-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP OC[C@H]1CCC[N@H+]1CCOCC[NH+]1CCC[C@H]1CO ZINC000304780960 352747568 /nfs/dbraw/zinc/74/75/68/352747568.db2.gz GAIMFTBMOXQKKA-OKILXGFUSA-N 2 1 272.389 -0.084 20 0 CBADMP OC[C@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1CO ZINC000304780960 352747570 /nfs/dbraw/zinc/74/75/70/352747570.db2.gz GAIMFTBMOXQKKA-OKILXGFUSA-N 2 1 272.389 -0.084 20 0 CBADMP OC[C@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@H]1CO ZINC000304780960 352747572 /nfs/dbraw/zinc/74/75/72/352747572.db2.gz GAIMFTBMOXQKKA-OKILXGFUSA-N 2 1 272.389 -0.084 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000310135258 352758319 /nfs/dbraw/zinc/75/83/19/352758319.db2.gz ITVCODWUYPNHHW-QWRGUYRKSA-N 2 1 263.407 -0.063 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000310135258 352758322 /nfs/dbraw/zinc/75/83/22/352758322.db2.gz ITVCODWUYPNHHW-QWRGUYRKSA-N 2 1 263.407 -0.063 20 0 CBADMP CN(C)S(=O)(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000310909916 352762942 /nfs/dbraw/zinc/76/29/42/352762942.db2.gz GXGPQUVOFGPSBD-QJPTWQEYSA-N 2 1 275.418 -0.063 20 0 CBADMP COC(=O)CCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000311060166 352765082 /nfs/dbraw/zinc/76/50/82/352765082.db2.gz WTOOFRSDCZHCQV-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000311092254 352765819 /nfs/dbraw/zinc/76/58/19/352765819.db2.gz ZBMYWWOQDARPIF-WOPDTQHZSA-N 2 1 257.378 -0.115 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000311092254 352765820 /nfs/dbraw/zinc/76/58/20/352765820.db2.gz ZBMYWWOQDARPIF-WOPDTQHZSA-N 2 1 257.378 -0.115 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000311092254 352765821 /nfs/dbraw/zinc/76/58/21/352765821.db2.gz ZBMYWWOQDARPIF-WOPDTQHZSA-N 2 1 257.378 -0.115 20 0 CBADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000311671005 352768912 /nfs/dbraw/zinc/76/89/12/352768912.db2.gz ARJUXYOHHXGTAT-LBPRGKRZSA-N 2 1 293.433 -0.435 20 0 CBADMP CC[C@@H](C(=O)NC1CC[NH+](CC(=O)NC)CC1)[NH+](C)C ZINC000330436345 352824812 /nfs/dbraw/zinc/82/48/12/352824812.db2.gz PHXFYSLGECTLNM-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000330580673 352851918 /nfs/dbraw/zinc/85/19/18/352851918.db2.gz RIKHOVAIETYMRB-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000330495497 352834168 /nfs/dbraw/zinc/83/41/68/352834168.db2.gz VEHMDLBHERWTBU-ZDUSSCGKSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000330495497 352834171 /nfs/dbraw/zinc/83/41/71/352834171.db2.gz VEHMDLBHERWTBU-ZDUSSCGKSA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000331390846 352910978 /nfs/dbraw/zinc/91/09/78/352910978.db2.gz MGDOFNUKSBUJBS-NQBHXWOUSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C[N@H+]1C1CC1 ZINC000331392674 352912210 /nfs/dbraw/zinc/91/22/10/352912210.db2.gz MUJGTFXBXAOBCB-QJPTWQEYSA-N 2 1 294.399 -0.452 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000332101182 352934961 /nfs/dbraw/zinc/93/49/61/352934961.db2.gz QCNSNSGWUCJSRT-STQMWFEESA-N 2 1 294.399 -0.497 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000332101182 352934963 /nfs/dbraw/zinc/93/49/63/352934963.db2.gz QCNSNSGWUCJSRT-STQMWFEESA-N 2 1 294.399 -0.497 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000332101182 352934964 /nfs/dbraw/zinc/93/49/64/352934964.db2.gz QCNSNSGWUCJSRT-STQMWFEESA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)[C@H]2C1 ZINC000331515034 352920456 /nfs/dbraw/zinc/92/04/56/352920456.db2.gz MBOLVYSJCGFOCI-AGIUHOORSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C[C@H]1[NH3+] ZINC000332104941 352935635 /nfs/dbraw/zinc/93/56/35/352935635.db2.gz AKPJOCIHYDKQOF-JHJVBQTASA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C[C@H]1[NH3+] ZINC000332104941 352935639 /nfs/dbraw/zinc/93/56/39/352935639.db2.gz AKPJOCIHYDKQOF-JHJVBQTASA-N 2 1 294.399 -0.511 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000331589501 352926179 /nfs/dbraw/zinc/92/61/79/352926179.db2.gz GMPYTXSWRJYKFJ-RYUDHWBXSA-N 2 1 280.372 -0.839 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000331725600 352927857 /nfs/dbraw/zinc/92/78/57/352927857.db2.gz XBHPEQHQRJACIV-JHJVBQTASA-N 2 1 294.399 -0.402 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332678469 352975595 /nfs/dbraw/zinc/97/55/95/352975595.db2.gz DNKPPYOPXZNYCD-MNOVXSKESA-N 2 1 268.361 -0.854 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332678469 352975600 /nfs/dbraw/zinc/97/56/00/352975600.db2.gz DNKPPYOPXZNYCD-MNOVXSKESA-N 2 1 268.361 -0.854 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332725396 352979558 /nfs/dbraw/zinc/97/95/58/352979558.db2.gz PONYXRADAGCHKY-CHWSQXEVSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332725396 352979559 /nfs/dbraw/zinc/97/95/59/352979559.db2.gz PONYXRADAGCHKY-CHWSQXEVSA-N 2 1 296.415 -0.217 20 0 CBADMP CN1CCO[C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000332833162 352987882 /nfs/dbraw/zinc/98/78/82/352987882.db2.gz VKSXTQLKLXKXIB-AAEUAGOBSA-N 2 1 282.388 -0.147 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1[NH3+] ZINC000332218785 352940217 /nfs/dbraw/zinc/94/02/17/352940217.db2.gz IOHPBSNGTREBFQ-IJLUTSLNSA-N 2 1 280.372 -0.901 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000332338005 352944650 /nfs/dbraw/zinc/94/46/50/352944650.db2.gz RNYIEBITENNTEP-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2([NH3+])CCC2)C[C@H]1C ZINC000332490934 352959111 /nfs/dbraw/zinc/95/91/11/352959111.db2.gz RZRDMQNTWPCFRW-NEPJUHHUSA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332570441 352966628 /nfs/dbraw/zinc/96/66/28/352966628.db2.gz CMFFHOOEMIJCTE-RWMBFGLXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC(F)(F)C[NH3+] ZINC000335424358 353032631 /nfs/dbraw/zinc/03/26/31/353032631.db2.gz XVPXKECUJOFXAI-JGVFFNPUSA-N 2 1 250.293 -0.028 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333744749 353008917 /nfs/dbraw/zinc/00/89/17/353008917.db2.gz YDALOVLBUHIAKN-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333744749 353008921 /nfs/dbraw/zinc/00/89/21/353008921.db2.gz YDALOVLBUHIAKN-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000333796697 353010978 /nfs/dbraw/zinc/01/09/78/353010978.db2.gz HBWICSILJOCBIZ-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000333796697 353010981 /nfs/dbraw/zinc/01/09/81/353010981.db2.gz HBWICSILJOCBIZ-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H]1C ZINC000333863366 353012626 /nfs/dbraw/zinc/01/26/26/353012626.db2.gz SOQKDACGWOHYAN-WUHRBBMRSA-N 2 1 282.388 -0.434 20 0 CBADMP COCC[N@H+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H]1C ZINC000333863366 353012633 /nfs/dbraw/zinc/01/26/33/353012633.db2.gz SOQKDACGWOHYAN-WUHRBBMRSA-N 2 1 282.388 -0.434 20 0 CBADMP 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 353013682 /nfs/dbraw/zinc/01/36/82/353013682.db2.gz YQYNOBYXYCNEKU-KVSVUVNWSA-N 2 1 282.388 -0.699 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333949254 353014147 /nfs/dbraw/zinc/01/41/47/353014147.db2.gz XCDORWGQNQCLDR-KBPBESRZSA-N 2 1 295.431 -0.230 20 0 CBADMP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000333938554 353014376 /nfs/dbraw/zinc/01/43/76/353014376.db2.gz MNPXYCZRDCYADA-AGIUHOORSA-N 2 1 282.388 -0.018 20 0 CBADMP CC[N@@H+](C)CCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336735456 353050418 /nfs/dbraw/zinc/05/04/18/353050418.db2.gz XERQOEUWLDYNRB-LLVKDONJSA-N 2 1 258.366 -0.846 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000338729270 353116075 /nfs/dbraw/zinc/11/60/75/353116075.db2.gz HQUZWNUACMCTKB-CQSZACIVSA-N 2 1 295.387 -0.053 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000338729270 353116078 /nfs/dbraw/zinc/11/60/78/353116078.db2.gz HQUZWNUACMCTKB-CQSZACIVSA-N 2 1 295.387 -0.053 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000338729262 353116094 /nfs/dbraw/zinc/11/60/94/353116094.db2.gz HQUZWNUACMCTKB-AWEZNQCLSA-N 2 1 295.387 -0.053 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000338729262 353116096 /nfs/dbraw/zinc/11/60/96/353116096.db2.gz HQUZWNUACMCTKB-AWEZNQCLSA-N 2 1 295.387 -0.053 20 0 CBADMP C[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)[NH+](C)C ZINC000338027712 353085663 /nfs/dbraw/zinc/08/56/63/353085663.db2.gz AMYBJQHQCFUVRH-VXGBXAGGSA-N 2 1 256.394 -0.311 20 0 CBADMP CC(C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(N)=O ZINC000338268328 353091557 /nfs/dbraw/zinc/09/15/57/353091557.db2.gz UXFMGPSFGURBBX-UHFFFAOYSA-N 2 1 270.377 -0.654 20 0 CBADMP CC(C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(N)=O ZINC000338268328 353091558 /nfs/dbraw/zinc/09/15/58/353091558.db2.gz UXFMGPSFGURBBX-UHFFFAOYSA-N 2 1 270.377 -0.654 20 0 CBADMP COCC1(O)CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000338269880 353092647 /nfs/dbraw/zinc/09/26/47/353092647.db2.gz HXWXHKUCMVCDDS-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000338284227 353093227 /nfs/dbraw/zinc/09/32/27/353093227.db2.gz YBRLNIKXOSZZGR-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000338284227 353093229 /nfs/dbraw/zinc/09/32/29/353093229.db2.gz YBRLNIKXOSZZGR-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC000338283494 353093258 /nfs/dbraw/zinc/09/32/58/353093258.db2.gz QYLXGMYMHVJKBI-AWEZNQCLSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@](C)(O)C2)CC1 ZINC000338283494 353093259 /nfs/dbraw/zinc/09/32/59/353093259.db2.gz QYLXGMYMHVJKBI-AWEZNQCLSA-N 2 1 269.389 -0.003 20 0 CBADMP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000338287095 353093329 /nfs/dbraw/zinc/09/33/29/353093329.db2.gz WQYSPMOHPIECBL-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000338287095 353093330 /nfs/dbraw/zinc/09/33/30/353093330.db2.gz WQYSPMOHPIECBL-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP CO[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338305751 353094510 /nfs/dbraw/zinc/09/45/10/353094510.db2.gz JKXLBRNEQWWRHS-GFCCVEGCSA-N 2 1 255.362 -0.129 20 0 CBADMP CO[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338305751 353094511 /nfs/dbraw/zinc/09/45/11/353094511.db2.gz JKXLBRNEQWWRHS-GFCCVEGCSA-N 2 1 255.362 -0.129 20 0 CBADMP C[C@@H]1[C@H](CO)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338361355 353098508 /nfs/dbraw/zinc/09/85/08/353098508.db2.gz RROGNWOKNDIDNF-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1[C@H](CO)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338361355 353098509 /nfs/dbraw/zinc/09/85/09/353098509.db2.gz RROGNWOKNDIDNF-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000339582888 353135451 /nfs/dbraw/zinc/13/54/51/353135451.db2.gz SYIFLGKKQUNTRY-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]([NH3+])CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000340176966 353154689 /nfs/dbraw/zinc/15/46/89/353154689.db2.gz KDKNDPAKMNIBRX-UWVGGRQHSA-N 2 1 256.350 -0.820 20 0 CBADMP C[C@H]([NH3+])CC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000340183843 353154850 /nfs/dbraw/zinc/15/48/50/353154850.db2.gz HVNHOCMNVVUGSV-LBPRGKRZSA-N 2 1 256.394 -0.180 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)C[C@@H](C)[NH3+])CC1 ZINC000340182950 353154879 /nfs/dbraw/zinc/15/48/79/353154879.db2.gz GSCWUSRGKOXRFZ-GFCCVEGCSA-N 2 1 256.394 -0.133 20 0 CBADMP C[C@@H]1C[C@H](O)C[NH+]1CCOCC[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000340922079 353193274 /nfs/dbraw/zinc/19/32/74/353193274.db2.gz XTDUTYLWJXQJEV-MQYQWHSLSA-N 2 1 272.389 -0.087 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000341253655 353207432 /nfs/dbraw/zinc/20/74/32/353207432.db2.gz DDRBJEHDMDOIJJ-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000341253655 353207433 /nfs/dbraw/zinc/20/74/33/353207433.db2.gz DDRBJEHDMDOIJJ-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000341253655 353207434 /nfs/dbraw/zinc/20/74/34/353207434.db2.gz DDRBJEHDMDOIJJ-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C[NH+](C)C ZINC000341259764 353207576 /nfs/dbraw/zinc/20/75/76/353207576.db2.gz LFLDEILNUCQNQC-CHWSQXEVSA-N 2 1 268.405 -0.310 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000342765443 353231973 /nfs/dbraw/zinc/23/19/73/353231973.db2.gz OJZPACZCIJZMMJ-SRVKXCTJSA-N 2 1 283.372 -0.038 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000342765148 353232011 /nfs/dbraw/zinc/23/20/11/353232011.db2.gz MENYGKBQLAIGBI-LLVKDONJSA-N 2 1 269.345 -0.427 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000342766829 353232110 /nfs/dbraw/zinc/23/21/10/353232110.db2.gz XVVGIOYSMOAVKB-VXGBXAGGSA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000342766829 353232115 /nfs/dbraw/zinc/23/21/15/353232115.db2.gz XVVGIOYSMOAVKB-VXGBXAGGSA-N 2 1 283.372 -0.036 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000342695884 353228223 /nfs/dbraw/zinc/22/82/23/353228223.db2.gz GLOPRDBWGOOILP-QWRGUYRKSA-N 2 1 271.361 -0.133 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000342712392 353228669 /nfs/dbraw/zinc/22/86/69/353228669.db2.gz RMGZCUDXKZUYQT-MWLCHTKSSA-N 2 1 271.361 -0.134 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000342737578 353230423 /nfs/dbraw/zinc/23/04/23/353230423.db2.gz NFOWFCRIUUCEMM-ZJUUUORDSA-N 2 1 257.334 -0.571 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000342737578 353230425 /nfs/dbraw/zinc/23/04/25/353230425.db2.gz NFOWFCRIUUCEMM-ZJUUUORDSA-N 2 1 257.334 -0.571 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343179483 353257988 /nfs/dbraw/zinc/25/79/88/353257988.db2.gz LAQNBLKOJONMQF-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343179483 353257992 /nfs/dbraw/zinc/25/79/92/353257992.db2.gz LAQNBLKOJONMQF-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343179483 353257995 /nfs/dbraw/zinc/25/79/95/353257995.db2.gz LAQNBLKOJONMQF-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343413898 353271439 /nfs/dbraw/zinc/27/14/39/353271439.db2.gz WPTPQWKMPOWTMV-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@H]1CC[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343413898 353271441 /nfs/dbraw/zinc/27/14/41/353271441.db2.gz WPTPQWKMPOWTMV-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@H]1CC[NH+](C)CCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343413898 353271444 /nfs/dbraw/zinc/27/14/44/353271444.db2.gz WPTPQWKMPOWTMV-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)CC[N@H+]1C ZINC000343298076 353265305 /nfs/dbraw/zinc/26/53/05/353265305.db2.gz NHJPMSDFJBRVFE-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC[NH+]1C ZINC000343298076 353265307 /nfs/dbraw/zinc/26/53/07/353265307.db2.gz NHJPMSDFJBRVFE-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC[NH+]1C ZINC000343298076 353265310 /nfs/dbraw/zinc/26/53/10/353265310.db2.gz NHJPMSDFJBRVFE-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343316632 353266917 /nfs/dbraw/zinc/26/69/17/353266917.db2.gz FUIGOOYDJMHJCX-ZDUSSCGKSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343316632 353266919 /nfs/dbraw/zinc/26/69/19/353266919.db2.gz FUIGOOYDJMHJCX-ZDUSSCGKSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343316632 353266922 /nfs/dbraw/zinc/26/69/22/353266922.db2.gz FUIGOOYDJMHJCX-ZDUSSCGKSA-N 2 1 268.405 -0.167 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343326670 353267921 /nfs/dbraw/zinc/26/79/21/353267921.db2.gz YJJBNFDJYTYFSO-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343326670 353267924 /nfs/dbraw/zinc/26/79/24/353267924.db2.gz YJJBNFDJYTYFSO-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343326670 353267925 /nfs/dbraw/zinc/26/79/25/353267925.db2.gz YJJBNFDJYTYFSO-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP CS(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155825765 188230156 /nfs/dbraw/zinc/23/01/56/188230156.db2.gz GZMNBZKZCKGHRC-GHMZBOCLSA-N 2 1 261.391 -0.248 20 0 CBADMP CS(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155825765 188230157 /nfs/dbraw/zinc/23/01/57/188230157.db2.gz GZMNBZKZCKGHRC-GHMZBOCLSA-N 2 1 261.391 -0.248 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000343677753 353284811 /nfs/dbraw/zinc/28/48/11/353284811.db2.gz PHFDMDZVXOCPDF-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000345305864 353321945 /nfs/dbraw/zinc/32/19/45/353321945.db2.gz DAKJPUCSLCUYQP-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000345305864 353321947 /nfs/dbraw/zinc/32/19/47/353321947.db2.gz DAKJPUCSLCUYQP-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CCC[N@H+]2C)CC1=O ZINC000346127917 353362961 /nfs/dbraw/zinc/36/29/61/353362961.db2.gz VTQSDMGEXLLGQD-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+]1CCC(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000346151536 353363693 /nfs/dbraw/zinc/36/36/93/353363693.db2.gz OELRIQHFWSKXTF-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP C[NH+]1CCN(c2ncc(CN3CC[C@@H]([NH3+])C3)cn2)CC1 ZINC000346689102 353390397 /nfs/dbraw/zinc/39/03/97/353390397.db2.gz PAJROOINNQOWJK-CYBMUJFWSA-N 2 1 276.388 -0.239 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000346266752 353369034 /nfs/dbraw/zinc/36/90/34/353369034.db2.gz BAKPLTHJXVAQEP-UPJWGTAASA-N 2 1 296.415 -0.040 20 0 CBADMP C[NH2+]CCN(C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000346676780 353389109 /nfs/dbraw/zinc/38/91/09/353389109.db2.gz KLJGXARSNOXYDG-UHFFFAOYSA-N 2 1 278.404 -0.120 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000348918979 353440878 /nfs/dbraw/zinc/44/08/78/353440878.db2.gz AHADXGUUMLMQNS-GFCCVEGCSA-N 2 1 256.394 -0.310 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000348918979 353440879 /nfs/dbraw/zinc/44/08/79/353440879.db2.gz AHADXGUUMLMQNS-GFCCVEGCSA-N 2 1 256.394 -0.310 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000348918979 353440880 /nfs/dbraw/zinc/44/08/80/353440880.db2.gz AHADXGUUMLMQNS-GFCCVEGCSA-N 2 1 256.394 -0.310 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)CCOC2C[NH2+]C2)C[C@H]1C ZINC000348993209 353443866 /nfs/dbraw/zinc/44/38/66/353443866.db2.gz JNTHNXFPNGJWKJ-GFCCVEGCSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@H+]1CCN(C(=O)CCOC2C[NH2+]C2)C[C@H]1C ZINC000348993209 353443867 /nfs/dbraw/zinc/44/38/67/353443867.db2.gz JNTHNXFPNGJWKJ-GFCCVEGCSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[N@H+]1CCOC ZINC000348992725 353444093 /nfs/dbraw/zinc/44/40/93/353444093.db2.gz ITEACZPCOGAXGC-CYBMUJFWSA-N 2 1 299.415 -0.066 20 0 CBADMP O=C(CCOC1C[NH2+]C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000348998132 353444254 /nfs/dbraw/zinc/44/42/54/353444254.db2.gz KJBJWEQIORNWHB-NSHDSACASA-N 2 1 253.346 -0.329 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)CCOC1C[NH2+]C1 ZINC000349059894 353447166 /nfs/dbraw/zinc/44/71/66/353447166.db2.gz VCSWGOFNWMOOPU-UHFFFAOYSA-N 2 1 259.350 -0.941 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000349639112 353458322 /nfs/dbraw/zinc/45/83/22/353458322.db2.gz RCULNOIPPWFGIN-OLZOCXBDSA-N 2 1 285.436 -0.128 20 0 CBADMP CC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000349905348 353466848 /nfs/dbraw/zinc/46/68/48/353466848.db2.gz MNKSVFDUJDWQLG-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP CC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000349905348 353466850 /nfs/dbraw/zinc/46/68/50/353466850.db2.gz MNKSVFDUJDWQLG-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP CC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000349905348 353466851 /nfs/dbraw/zinc/46/68/51/353466851.db2.gz MNKSVFDUJDWQLG-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP CNC(=O)[C@H]1CCCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351448024 353474759 /nfs/dbraw/zinc/47/47/59/353474759.db2.gz WDMZZALSUSUPKT-NWDGAFQWSA-N 2 1 255.362 -0.348 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351516525 353475833 /nfs/dbraw/zinc/47/58/33/353475833.db2.gz GFIUBMABENOZSJ-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351498365 353475938 /nfs/dbraw/zinc/47/59/38/353475938.db2.gz VPDXEWUFPDXSGL-DCAQKATOSA-N 2 1 261.391 -0.405 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000353065420 353519119 /nfs/dbraw/zinc/51/91/19/353519119.db2.gz HZROBEYUJOXRSZ-AWEZNQCLSA-N 2 1 297.447 -0.032 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000353065420 353519120 /nfs/dbraw/zinc/51/91/20/353519120.db2.gz HZROBEYUJOXRSZ-AWEZNQCLSA-N 2 1 297.447 -0.032 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000353065420 353519124 /nfs/dbraw/zinc/51/91/24/353519124.db2.gz HZROBEYUJOXRSZ-AWEZNQCLSA-N 2 1 297.447 -0.032 20 0 CBADMP C[N@@H+](CCC(N)=O)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000353170638 353524373 /nfs/dbraw/zinc/52/43/73/353524373.db2.gz LAFVHMAXKXSPAY-UHFFFAOYSA-N 2 1 282.388 -0.463 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353471011 353532189 /nfs/dbraw/zinc/53/21/89/353532189.db2.gz RFSJKQRSLLOJAA-TUAOUCFPSA-N 2 1 287.404 -0.036 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353471011 353532191 /nfs/dbraw/zinc/53/21/91/353532191.db2.gz RFSJKQRSLLOJAA-TUAOUCFPSA-N 2 1 287.404 -0.036 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000353462834 353532825 /nfs/dbraw/zinc/53/28/25/353532825.db2.gz UAVLIZMTMIBKND-NEPJUHHUSA-N 2 1 273.377 -0.567 20 0 CBADMP COC[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000354067628 353541817 /nfs/dbraw/zinc/54/18/17/353541817.db2.gz DKFPILNGGKSADW-GHMZBOCLSA-N 2 1 259.350 -0.955 20 0 CBADMP CCN1CC[N@H+](C[C@H](O)CN2CCOCC2)[C@H](C)C1 ZINC000352690870 353501885 /nfs/dbraw/zinc/50/18/85/353501885.db2.gz FWQFGCMRZDUBNY-ZIAGYGMSSA-N 2 1 271.405 -0.295 20 0 CBADMP CCN1CC[N@@H+](C[C@H](O)CN2CCOCC2)[C@H](C)C1 ZINC000352690870 353501887 /nfs/dbraw/zinc/50/18/87/353501887.db2.gz FWQFGCMRZDUBNY-ZIAGYGMSSA-N 2 1 271.405 -0.295 20 0 CBADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000354703753 353579493 /nfs/dbraw/zinc/57/94/93/353579493.db2.gz ZZMIRIQUKJYJEN-CYBMUJFWSA-N 2 1 294.399 -0.449 20 0 CBADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)CN(C)C)[C@@H]2C1 ZINC000355301053 353591096 /nfs/dbraw/zinc/59/10/96/353591096.db2.gz NVIYISVRVHAPTN-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)C[NH+](C)C)[C@@H]2C1 ZINC000355301053 353591097 /nfs/dbraw/zinc/59/10/97/353591097.db2.gz NVIYISVRVHAPTN-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP C[NH+]1CCN(C(=O)CN2CCC[N@H+](C)CC2)CC1 ZINC000355571570 353595484 /nfs/dbraw/zinc/59/54/84/353595484.db2.gz CXOVERQZUSNPBK-UHFFFAOYSA-N 2 1 254.378 -0.602 20 0 CBADMP C[NH+]1CCN(C(=O)CN2CCC[N@@H+](C)CC2)CC1 ZINC000355571570 353595487 /nfs/dbraw/zinc/59/54/87/353595487.db2.gz CXOVERQZUSNPBK-UHFFFAOYSA-N 2 1 254.378 -0.602 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357065287 353600822 /nfs/dbraw/zinc/60/08/22/353600822.db2.gz ADNGHOWAZCOAPA-GHMZBOCLSA-N 2 1 261.391 -0.533 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357065287 353600826 /nfs/dbraw/zinc/60/08/26/353600826.db2.gz ADNGHOWAZCOAPA-GHMZBOCLSA-N 2 1 261.391 -0.533 20 0 CBADMP [NH3+]CCOCC[NH+]1CCN(c2cnccn2)CC1 ZINC000357079171 353601723 /nfs/dbraw/zinc/60/17/23/353601723.db2.gz CWDNVJJUWFBWQH-UHFFFAOYSA-N 2 1 251.334 -0.426 20 0 CBADMP C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)CCOCC[NH3+] ZINC000357081663 353601754 /nfs/dbraw/zinc/60/17/54/353601754.db2.gz WGHQKUNLUAREDV-NXEZZACHSA-N 2 1 252.380 -0.285 20 0 CBADMP C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)CCOCC[NH3+] ZINC000357081663 353601755 /nfs/dbraw/zinc/60/17/55/353601755.db2.gz WGHQKUNLUAREDV-NXEZZACHSA-N 2 1 252.380 -0.285 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(=O)n(C)c1=O ZINC000357110589 353601795 /nfs/dbraw/zinc/60/17/95/353601795.db2.gz ZVPACDWUJROFBP-MNOVXSKESA-N 2 1 278.356 -0.875 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000359228951 353652650 /nfs/dbraw/zinc/65/26/50/353652650.db2.gz JOJXLOUZUDFIDP-NEPJUHHUSA-N 2 1 256.394 -0.311 20 0 CBADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000358097977 353626443 /nfs/dbraw/zinc/62/64/43/353626443.db2.gz OCVSPERBLQYKOO-UONOGXRCSA-N 2 1 280.416 -0.214 20 0 CBADMP COC(=O)c1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c[nH]1 ZINC000358152645 353629541 /nfs/dbraw/zinc/62/95/41/353629541.db2.gz CSSKEIKZSAEBJZ-ZDUSSCGKSA-N 2 1 267.329 -0.043 20 0 CBADMP COC(=O)c1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c[nH]1 ZINC000358152645 353629543 /nfs/dbraw/zinc/62/95/43/353629543.db2.gz CSSKEIKZSAEBJZ-ZDUSSCGKSA-N 2 1 267.329 -0.043 20 0 CBADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000358166809 353631236 /nfs/dbraw/zinc/63/12/36/353631236.db2.gz PJPVQTWCESNSDI-CQSZACIVSA-N 2 1 263.341 -0.058 20 0 CBADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000358166809 353631238 /nfs/dbraw/zinc/63/12/38/353631238.db2.gz PJPVQTWCESNSDI-CQSZACIVSA-N 2 1 263.341 -0.058 20 0 CBADMP COCC[NH+]1CCC(NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358249492 353633518 /nfs/dbraw/zinc/63/35/18/353633518.db2.gz KFROIRBJNYCUAZ-AWEZNQCLSA-N 2 1 271.405 -0.247 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CN1CCN([C@H]2COC[C@H]2O)CC1 ZINC000361286213 353660798 /nfs/dbraw/zinc/66/07/98/353660798.db2.gz FTMMYGDQICBDKT-QLFBSQMISA-N 2 1 283.416 -0.152 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CN1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000361286215 353660994 /nfs/dbraw/zinc/66/09/94/353660994.db2.gz FTMMYGDQICBDKT-RBSFLKMASA-N 2 1 283.416 -0.152 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1COC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000361328319 353661609 /nfs/dbraw/zinc/66/16/09/353661609.db2.gz KGKZKXPJBWXRRD-KBPBESRZSA-N 2 1 271.405 -0.296 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365105691 353672935 /nfs/dbraw/zinc/67/29/35/353672935.db2.gz QKMZOZNJYHMRAW-GMNPVEAJSA-N 2 1 253.346 -0.692 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000367045811 353680056 /nfs/dbraw/zinc/68/00/56/353680056.db2.gz PNTSRTXIPJVVNM-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367045811 353680060 /nfs/dbraw/zinc/68/00/60/353680060.db2.gz PNTSRTXIPJVVNM-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000367045811 353680064 /nfs/dbraw/zinc/68/00/64/353680064.db2.gz PNTSRTXIPJVVNM-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(C)(C)[NH3+])CC2)C1 ZINC000372097958 353710586 /nfs/dbraw/zinc/71/05/86/353710586.db2.gz FHDPPCYLHFTDQR-LBPRGKRZSA-N 2 1 268.405 -0.038 20 0 CBADMP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372399673 353716743 /nfs/dbraw/zinc/71/67/43/353716743.db2.gz RLOZMQLLTKUHGZ-ZIAGYGMSSA-N 2 1 298.431 -0.364 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372912761 353724178 /nfs/dbraw/zinc/72/41/78/353724178.db2.gz QKMZOZNJYHMRAW-OHBODLIOSA-N 2 1 253.346 -0.692 20 0 CBADMP COCC1(C(=O)NCC(F)(F)C[NH3+])CC[NH2+]CC1 ZINC000373514487 353732774 /nfs/dbraw/zinc/73/27/74/353732774.db2.gz JJJAUMNNEUPIEQ-UHFFFAOYSA-N 2 1 265.304 -0.287 20 0 CBADMP C[N@@H+]1CC[C@@H]2CCN(CC(=O)N3CC[NH+](C)CC3)C[C@@H]21 ZINC000375030493 353752585 /nfs/dbraw/zinc/75/25/85/353752585.db2.gz KZPJONBGKWHFBE-KGLIPLIRSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(CC(=O)N3CC[NH+](C)CC3)C[C@@H]21 ZINC000375030493 353752588 /nfs/dbraw/zinc/75/25/88/353752588.db2.gz KZPJONBGKWHFBE-KGLIPLIRSA-N 2 1 280.416 -0.214 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)C[C@H]1C ZINC000375912350 353769420 /nfs/dbraw/zinc/76/94/20/353769420.db2.gz OULONCZEJHNLDT-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCN1CCOC[C@H]1C(=O)NCC[N@@H+](CC)CCO ZINC000376319191 353774278 /nfs/dbraw/zinc/77/42/78/353774278.db2.gz NZUQGBWDVLYIMT-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000377305099 353778047 /nfs/dbraw/zinc/77/80/47/353778047.db2.gz CFTMTAYIBPDACR-SDDRHHMPSA-N 2 1 282.388 -0.608 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378230638 353780467 /nfs/dbraw/zinc/78/04/67/353780467.db2.gz QAIPHTLLDDVTQJ-AVGNSLFASA-N 2 1 267.373 -0.035 20 0 CBADMP COCC[N@H+](C)C[C@H](O)CN1CCC(CC(N)=O)CC1 ZINC000380730516 353783432 /nfs/dbraw/zinc/78/34/32/353783432.db2.gz RVLQRVODLWBQSG-ZDUSSCGKSA-N 2 1 287.404 -0.487 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC(CC(N)=O)CC1 ZINC000380730516 353783435 /nfs/dbraw/zinc/78/34/35/353783435.db2.gz RVLQRVODLWBQSG-ZDUSSCGKSA-N 2 1 287.404 -0.487 20 0 CBADMP O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000373759210 353735889 /nfs/dbraw/zinc/73/58/89/353735889.db2.gz RDCDFPIIKQITOC-AWEZNQCLSA-N 2 1 278.400 -0.246 20 0 CBADMP O=C(NCC[NH+]1CC=CCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000373759210 353735890 /nfs/dbraw/zinc/73/58/90/353735890.db2.gz RDCDFPIIKQITOC-AWEZNQCLSA-N 2 1 278.400 -0.246 20 0 CBADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400165381 353800002 /nfs/dbraw/zinc/80/00/02/353800002.db2.gz IWHZRWFOSPKDOV-GRYCIOLGSA-N 2 1 275.418 -0.050 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400165381 353800006 /nfs/dbraw/zinc/80/00/06/353800006.db2.gz IWHZRWFOSPKDOV-GRYCIOLGSA-N 2 1 275.418 -0.050 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC[C@H](O)C[NH+](C)C1CC1 ZINC000388525272 353789921 /nfs/dbraw/zinc/78/99/21/353789921.db2.gz VMQJDUSPRGHYBQ-KBPBESRZSA-N 2 1 270.421 -0.723 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000388525272 353789923 /nfs/dbraw/zinc/78/99/23/353789923.db2.gz VMQJDUSPRGHYBQ-KBPBESRZSA-N 2 1 270.421 -0.723 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000388525272 353789925 /nfs/dbraw/zinc/78/99/25/353789925.db2.gz VMQJDUSPRGHYBQ-KBPBESRZSA-N 2 1 270.421 -0.723 20 0 CBADMP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000412848204 353949244 /nfs/dbraw/zinc/94/92/44/353949244.db2.gz SDZCLPRYAFUDST-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000412848204 353949248 /nfs/dbraw/zinc/94/92/48/353949248.db2.gz SDZCLPRYAFUDST-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000412848204 353949252 /nfs/dbraw/zinc/94/92/52/353949252.db2.gz SDZCLPRYAFUDST-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000412848204 353949255 /nfs/dbraw/zinc/94/92/55/353949255.db2.gz SDZCLPRYAFUDST-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000410475292 353929155 /nfs/dbraw/zinc/92/91/55/353929155.db2.gz MMQMMDMYNIAHFE-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000410475291 353929318 /nfs/dbraw/zinc/92/93/18/353929318.db2.gz MMQMMDMYNIAHFE-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCC[NH2+]1 ZINC000416784889 353973153 /nfs/dbraw/zinc/97/31/53/353973153.db2.gz AJCNMBWALXLRQS-GFCCVEGCSA-N 2 1 270.377 -0.240 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)N[C@H]1CCC[NH2+]C1 ZINC000416806899 353973171 /nfs/dbraw/zinc/97/31/71/353973171.db2.gz ZZWXDGLCFTZNQP-LBPRGKRZSA-N 2 1 270.377 -0.240 20 0 CBADMP CCCC[C@H](C[NH3+])NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000418470012 353997973 /nfs/dbraw/zinc/99/79/73/353997973.db2.gz QFZSHVYKFSADPJ-DGCLKSJQSA-N 2 1 272.393 -0.130 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H](C[NH3+])C2CC2)[C@@H](C)C1 ZINC000418409084 353997158 /nfs/dbraw/zinc/99/71/58/353997158.db2.gz VGXAQJGRGWAXGI-GMXVVIOVSA-N 2 1 284.404 -0.180 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417440777 353977238 /nfs/dbraw/zinc/97/72/38/353977238.db2.gz OVOKLFSOJBLMOD-LLVKDONJSA-N 2 1 258.366 -0.303 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NCC1([NH3+])CCC1 ZINC000417441586 353977271 /nfs/dbraw/zinc/97/72/71/353977271.db2.gz ASIIHWJHYXSDRE-UHFFFAOYSA-N 2 1 258.366 -0.255 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000417445001 353977390 /nfs/dbraw/zinc/97/73/90/353977390.db2.gz FIHMKGXMMKEGQK-GFCCVEGCSA-N 2 1 272.393 -0.137 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000417440846 353977642 /nfs/dbraw/zinc/97/76/42/353977642.db2.gz PDXPMNQJKULKRM-RYUDHWBXSA-N 2 1 272.393 -0.057 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417439638 353977809 /nfs/dbraw/zinc/97/78/09/353977809.db2.gz MJAADGVWMWAPSX-JTQLQIEISA-N 2 1 294.346 -0.139 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)NCC[NH+]1CCSCC1 ZINC000417610525 353979661 /nfs/dbraw/zinc/97/96/61/353979661.db2.gz NKMFBHDSLCVVGI-JTQLQIEISA-N 2 1 260.407 -0.071 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N(C)C2CC([NH3+])C2)C1 ZINC000417698137 353980862 /nfs/dbraw/zinc/98/08/62/353980862.db2.gz DKVYIOQZSGWZGJ-MOENNCHZSA-N 2 1 270.377 -0.162 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000417705545 353981084 /nfs/dbraw/zinc/98/10/84/353981084.db2.gz MENNLUPTSOQUDS-RYUDHWBXSA-N 2 1 272.393 -0.010 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000417705546 353981170 /nfs/dbraw/zinc/98/11/70/353981170.db2.gz MENNLUPTSOQUDS-VXGBXAGGSA-N 2 1 272.393 -0.010 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000417705543 353981203 /nfs/dbraw/zinc/98/12/03/353981203.db2.gz MENNLUPTSOQUDS-NEPJUHHUSA-N 2 1 272.393 -0.010 20 0 CBADMP C[C@@H](CNC(=O)N1CC[NH2+][C@@H](C)C1)C[NH+]1CCOCC1 ZINC000417726254 353982307 /nfs/dbraw/zinc/98/23/07/353982307.db2.gz MLLQODGVVRXTKX-STQMWFEESA-N 2 1 284.404 -0.042 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000417715909 353982378 /nfs/dbraw/zinc/98/23/78/353982378.db2.gz TWYJNSPOWSIAJT-NEPJUHHUSA-N 2 1 270.377 -0.256 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)NC(C)(C)C[NH3+] ZINC000417753322 353983013 /nfs/dbraw/zinc/98/30/13/353983013.db2.gz OGTNMXHHKTURCR-UHFFFAOYSA-N 2 1 260.382 -0.009 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000417742467 353983145 /nfs/dbraw/zinc/98/31/45/353983145.db2.gz BCVNTTBMJMXMDZ-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000417744954 353983208 /nfs/dbraw/zinc/98/32/08/353983208.db2.gz DPPBWCIMHHIASD-LLVKDONJSA-N 2 1 260.382 -0.057 20 0 CBADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC[NH3+])CCO ZINC000418189545 353988567 /nfs/dbraw/zinc/98/85/67/353988567.db2.gz VFVHOGZBDDYXCH-LBPRGKRZSA-N 2 1 272.393 -0.177 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CCCOCC1 ZINC000418231805 353989100 /nfs/dbraw/zinc/98/91/00/353989100.db2.gz YFIFSHJKFZLDMJ-LBPRGKRZSA-N 2 1 272.393 -0.009 20 0 CBADMP [NH3+]CCNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418292561 353991016 /nfs/dbraw/zinc/99/10/16/353991016.db2.gz CRKHSZVXGSJSAW-OAHLLOKOSA-N 2 1 292.383 -0.119 20 0 CBADMP CC[NH2+]CCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000418319557 353992874 /nfs/dbraw/zinc/99/28/74/353992874.db2.gz BVTJQMSTDYRHPO-RYUDHWBXSA-N 2 1 272.393 -0.308 20 0 CBADMP CC[NH2+]CCNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000418313861 353993184 /nfs/dbraw/zinc/99/31/84/353993184.db2.gz COHHVPBCTXMRJF-GFCCVEGCSA-N 2 1 272.393 -0.258 20 0 CBADMP C[NH2+]CCNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418322410 353993784 /nfs/dbraw/zinc/99/37/84/353993784.db2.gz DRFBLMGGKBRCCY-TXEJJXNPSA-N 2 1 272.393 -0.044 20 0 CBADMP C[NH2+]CCNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418322410 353993785 /nfs/dbraw/zinc/99/37/85/353993785.db2.gz DRFBLMGGKBRCCY-TXEJJXNPSA-N 2 1 272.393 -0.044 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000418362981 353994617 /nfs/dbraw/zinc/99/46/17/353994617.db2.gz BQBSKUGAAORVBK-CHWSQXEVSA-N 2 1 286.420 -0.012 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000418365194 353994621 /nfs/dbraw/zinc/99/46/21/353994621.db2.gz DVHSLPBZLRCMCL-STQMWFEESA-N 2 1 286.420 -0.012 20 0 CBADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)N[C@H]1CC[NH2+]C1 ZINC000418374689 353994652 /nfs/dbraw/zinc/99/46/52/353994652.db2.gz GYCTUIHGMHYVQN-RYUDHWBXSA-N 2 1 270.377 -0.506 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000418368104 353994716 /nfs/dbraw/zinc/99/47/16/353994716.db2.gz RFJYYVGDXLJIDO-RWMBFGLXSA-N 2 1 286.420 -0.062 20 0 CBADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)N[C@H]1CCC[NH2+]C1 ZINC000418375632 353994939 /nfs/dbraw/zinc/99/49/39/353994939.db2.gz FAKVZIGYDUETQM-STQMWFEESA-N 2 1 284.404 -0.116 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000418383251 353995607 /nfs/dbraw/zinc/99/56/07/353995607.db2.gz NGYSIXIUICMYQM-RYUDHWBXSA-N 2 1 298.387 -0.373 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000418383251 353995609 /nfs/dbraw/zinc/99/56/09/353995609.db2.gz NGYSIXIUICMYQM-RYUDHWBXSA-N 2 1 298.387 -0.373 20 0 CBADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)N[C@H]1CCC[NH2+]C1 ZINC000418379894 353995948 /nfs/dbraw/zinc/99/59/48/353995948.db2.gz JJTNCANVQJSSME-STQMWFEESA-N 2 1 284.404 -0.116 20 0 CBADMP O=C(N[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418382605 353995990 /nfs/dbraw/zinc/99/59/90/353995990.db2.gz MLIYCJKAXLLPFV-CHWSQXEVSA-N 2 1 284.404 -0.116 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000419227140 354039672 /nfs/dbraw/zinc/03/96/72/354039672.db2.gz SEKSPEZTODTOJO-GFCCVEGCSA-N 2 1 282.388 -0.392 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)[C@H](C)C1 ZINC000418495452 353999183 /nfs/dbraw/zinc/99/91/83/353999183.db2.gz GAOPEVYEHKDTFZ-MDZLAQPJSA-N 2 1 284.404 -0.180 20 0 CBADMP C[C@H](C[NH3+])NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000418509761 353999881 /nfs/dbraw/zinc/99/98/81/353999881.db2.gz GVRUDCFZSIXMPO-GHMZBOCLSA-N 2 1 272.393 -0.180 20 0 CBADMP COCC[NH2+]CCNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000418504330 354000593 /nfs/dbraw/zinc/00/05/93/354000593.db2.gz BGWXXTKCUOVFME-TXEJJXNPSA-N 2 1 272.393 -0.044 20 0 CBADMP C[C@H](C[NH3+])NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000418515355 354000878 /nfs/dbraw/zinc/00/08/78/354000878.db2.gz PYFHKLIQBGKMJV-GHMZBOCLSA-N 2 1 272.393 -0.180 20 0 CBADMP C[NH2+][C@H]1CCCN(C(=O)NCC(F)(F)C[NH3+])C1 ZINC000418512010 354001512 /nfs/dbraw/zinc/00/15/12/354001512.db2.gz KOXAMCONVTTZHN-QMMMGPOBSA-N 2 1 250.293 -0.026 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418553712 354002455 /nfs/dbraw/zinc/00/24/55/354002455.db2.gz UDAGDFIYWZJVDU-GFCCVEGCSA-N 2 1 272.393 -0.258 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418533642 354002631 /nfs/dbraw/zinc/00/26/31/354002631.db2.gz DOMMZPJIPMPISC-CQSZACIVSA-N 2 1 286.420 -0.011 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000418604917 354004654 /nfs/dbraw/zinc/00/46/54/354004654.db2.gz SODKEZLCJHOYFD-VXGBXAGGSA-N 2 1 272.393 -0.308 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000418604917 354004656 /nfs/dbraw/zinc/00/46/56/354004656.db2.gz SODKEZLCJHOYFD-VXGBXAGGSA-N 2 1 272.393 -0.308 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000418694611 354005657 /nfs/dbraw/zinc/00/56/57/354005657.db2.gz IGRKTPHKZZXXRR-QWRGUYRKSA-N 2 1 258.366 -0.304 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000418739088 354005860 /nfs/dbraw/zinc/00/58/60/354005860.db2.gz YCUTZOVGXPGMCQ-GRYCIOLGSA-N 2 1 272.393 -0.180 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000418732229 354006229 /nfs/dbraw/zinc/00/62/29/354006229.db2.gz QNMVVBPTVSQDLR-RYUDHWBXSA-N 2 1 272.393 -0.130 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418772202 354008675 /nfs/dbraw/zinc/00/86/75/354008675.db2.gz SKRBJAXQBULPHD-QWHCGFSZSA-N 2 1 284.404 -0.044 20 0 CBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH3+])[C@H]1c1ccccc1 ZINC000418912903 354015677 /nfs/dbraw/zinc/01/56/77/354015677.db2.gz RXIHJFOOFBVPCB-QWHCGFSZSA-N 2 1 290.367 -0.377 20 0 CBADMP 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 354023665 /nfs/dbraw/zinc/02/36/65/354023665.db2.gz CVUSIUXPAPZSSG-QNWHQSFQSA-N 2 1 298.431 -0.068 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419020831 354024113 /nfs/dbraw/zinc/02/41/13/354024113.db2.gz GETPWUUZGUZQNH-FRRDWIJNSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419030615 354024987 /nfs/dbraw/zinc/02/49/87/354024987.db2.gz UBYHNKDNTYHFID-XQQFMLRXSA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419028418 354025355 /nfs/dbraw/zinc/02/53/55/354025355.db2.gz QHIRWTZKKBZAIB-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC[NH2+]C ZINC000419071417 354027496 /nfs/dbraw/zinc/02/74/96/354027496.db2.gz AAJCDUFMHUAFBU-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419099112 354028397 /nfs/dbraw/zinc/02/83/97/354028397.db2.gz HSSTXCFXBJBTIP-UHFFFAOYSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419105243 354028540 /nfs/dbraw/zinc/02/85/40/354028540.db2.gz NMGPWTHWBOHKDL-UHFFFAOYSA-N 2 1 284.404 -0.170 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419105893 354028699 /nfs/dbraw/zinc/02/86/99/354028699.db2.gz OCRIHAQHVZYWGL-SNVBAGLBSA-N 2 1 268.361 -0.854 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419110732 354028757 /nfs/dbraw/zinc/02/87/57/354028757.db2.gz STTPNBMZSUEHFL-SNVBAGLBSA-N 2 1 270.377 -0.689 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419100138 354028878 /nfs/dbraw/zinc/02/88/78/354028878.db2.gz IVMCMROMUQPWRQ-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000419112529 354029642 /nfs/dbraw/zinc/02/96/42/354029642.db2.gz VEWUWJAEPXUUFE-NSHDSACASA-N 2 1 282.388 -0.545 20 0 CBADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000419132217 354030591 /nfs/dbraw/zinc/03/05/91/354030591.db2.gz DPEMLKLWWHDRMP-NEPJUHHUSA-N 2 1 296.415 -0.027 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCC[NH3+])C1 ZINC000419157359 354034134 /nfs/dbraw/zinc/03/41/34/354034134.db2.gz VCMAFRYMOUAHNU-CYBMUJFWSA-N 2 1 298.431 -0.064 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000419158837 354034372 /nfs/dbraw/zinc/03/43/72/354034372.db2.gz YLGRRQYOHBCJSG-WCQYABFASA-N 2 1 294.399 -0.450 20 0 CBADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419174969 354035003 /nfs/dbraw/zinc/03/50/03/354035003.db2.gz WRTUUPXXQYNGIN-LBPRGKRZSA-N 2 1 284.404 -0.168 20 0 CBADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419174968 354035087 /nfs/dbraw/zinc/03/50/87/354035087.db2.gz WRTUUPXXQYNGIN-GFCCVEGCSA-N 2 1 284.404 -0.168 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419220336 354037732 /nfs/dbraw/zinc/03/77/32/354037732.db2.gz IMRWOQRPEGKCFE-GFCCVEGCSA-N 2 1 282.388 -0.534 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000419219719 354038532 /nfs/dbraw/zinc/03/85/32/354038532.db2.gz HPKSEIJMQUNVJQ-GFCCVEGCSA-N 2 1 282.388 -0.440 20 0 CBADMP [NH3+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419222685 354038578 /nfs/dbraw/zinc/03/85/78/354038578.db2.gz BVXBVQMBIOJEKU-GFCCVEGCSA-N 2 1 282.388 -0.558 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419225024 354039373 /nfs/dbraw/zinc/03/93/73/354039373.db2.gz OFLSBDNZXUEYGO-ZDUSSCGKSA-N 2 1 294.399 -0.392 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCC[N@H+]1C ZINC000419558484 354061594 /nfs/dbraw/zinc/06/15/94/354061594.db2.gz NYIRUFVBHFUSLC-USWWRNFRSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000419554702 354061646 /nfs/dbraw/zinc/06/16/46/354061646.db2.gz ICLKTGHIIQVXRG-WOPDTQHZSA-N 2 1 282.388 -0.594 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000419561057 354061753 /nfs/dbraw/zinc/06/17/53/354061753.db2.gz RWHXITCQIKSEQM-UTUOFQBUSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)CCC[N@H+]1C ZINC000419560744 354061906 /nfs/dbraw/zinc/06/19/06/354061906.db2.gz RODYEQDMKWAUSG-WDEREUQCSA-N 2 1 268.361 -0.983 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419874523 354087759 /nfs/dbraw/zinc/08/77/59/354087759.db2.gz WBWJLTDZVFGUQS-OLZOCXBDSA-N 2 1 296.415 -0.219 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000419565216 354062779 /nfs/dbraw/zinc/06/27/79/354062779.db2.gz YMRBULDTSOWGND-VWYCJHECSA-N 2 1 270.377 -0.691 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCC[N@H+]1C ZINC000419566034 354063058 /nfs/dbraw/zinc/06/30/58/354063058.db2.gz ZMPXEBOAGQBGNR-JHJVBQTASA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419578056 354063826 /nfs/dbraw/zinc/06/38/26/354063826.db2.gz DTVJKOJXDFRNBD-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419579898 354064240 /nfs/dbraw/zinc/06/42/40/354064240.db2.gz GXNUMRNJHGXAJA-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000419593586 354064924 /nfs/dbraw/zinc/06/49/24/354064924.db2.gz SWONVFZZQQDSIX-TUAOUCFPSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[N@@H+](C)C1CC1 ZINC000419596384 354065228 /nfs/dbraw/zinc/06/52/28/354065228.db2.gz YAVQXBFWMQSICM-CABZTGNLSA-N 2 1 282.388 -0.561 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000419691659 354069890 /nfs/dbraw/zinc/06/98/90/354069890.db2.gz FKGGFZFMUSWXGO-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419691707 354070083 /nfs/dbraw/zinc/07/00/83/354070083.db2.gz FODJXWDEIFUTDE-UHFFFAOYSA-N 2 1 284.404 -0.297 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419689194 354070336 /nfs/dbraw/zinc/07/03/36/354070336.db2.gz ACZVNMSKRSNIIM-NEPJUHHUSA-N 2 1 296.415 -0.156 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000419694225 354070400 /nfs/dbraw/zinc/07/04/00/354070400.db2.gz JEOCFSWWIFUSRR-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419697052 354070433 /nfs/dbraw/zinc/07/04/33/354070433.db2.gz PZPVDIHRFYKENR-UHFFFAOYSA-N 2 1 270.377 -0.687 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000419696865 354070582 /nfs/dbraw/zinc/07/05/82/354070582.db2.gz PLPXUOFANGKBQP-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000419700735 354071403 /nfs/dbraw/zinc/07/14/03/354071403.db2.gz XXZXAFSNSSWQJG-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000419872316 354088199 /nfs/dbraw/zinc/08/81/99/354088199.db2.gz LHDQPMSDJZLWQO-NSHDSACASA-N 2 1 270.377 -0.879 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000419872316 354088200 /nfs/dbraw/zinc/08/82/00/354088200.db2.gz LHDQPMSDJZLWQO-NSHDSACASA-N 2 1 270.377 -0.879 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419736761 354073843 /nfs/dbraw/zinc/07/38/43/354073843.db2.gz SDMHZDRDLULJMR-AAEUAGOBSA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)([NH3+])CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419732388 354073968 /nfs/dbraw/zinc/07/39/68/354073968.db2.gz MLDSQTALIGKBKJ-GFCCVEGCSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419736762 354074013 /nfs/dbraw/zinc/07/40/13/354074013.db2.gz SDMHZDRDLULJMR-DGCLKSJQSA-N 2 1 296.415 -0.170 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419763508 354075650 /nfs/dbraw/zinc/07/56/50/354075650.db2.gz OCUHFSLUHZRBJE-LBPRGKRZSA-N 2 1 284.404 -0.312 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419766542 354075685 /nfs/dbraw/zinc/07/56/85/354075685.db2.gz RMTGJLSAXUNMAS-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000419769685 354076220 /nfs/dbraw/zinc/07/62/20/354076220.db2.gz VUZCVVYTRPJTNP-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419768423 354076327 /nfs/dbraw/zinc/07/63/27/354076327.db2.gz UKFVLBYOTFUDSN-JTQLQIEISA-N 2 1 258.366 -0.702 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419768490 354076437 /nfs/dbraw/zinc/07/64/37/354076437.db2.gz UQCCVRYDXYCLQU-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419783822 354077462 /nfs/dbraw/zinc/07/74/62/354077462.db2.gz VQMLKNJBVDTBEX-VXGBXAGGSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419812005 354079472 /nfs/dbraw/zinc/07/94/72/354079472.db2.gz GILOYEXBDGECPG-JHJVBQTASA-N 2 1 296.415 -0.171 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419812000 354079582 /nfs/dbraw/zinc/07/95/82/354079582.db2.gz GILOYEXBDGECPG-AGIUHOORSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000419883359 354088527 /nfs/dbraw/zinc/08/85/27/354088527.db2.gz DDLBWARBVRGNGY-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCCC[NH3+] ZINC000419831122 354081489 /nfs/dbraw/zinc/08/14/89/354081489.db2.gz LITWJYBNGDMBOC-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000419881140 354088600 /nfs/dbraw/zinc/08/86/00/354088600.db2.gz ATMLSQYRODESST-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419844991 354083911 /nfs/dbraw/zinc/08/39/11/354083911.db2.gz CYTBZLJWKOVNOE-ZDUSSCGKSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419844991 354083915 /nfs/dbraw/zinc/08/39/15/354083915.db2.gz CYTBZLJWKOVNOE-ZDUSSCGKSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000419846617 354084025 /nfs/dbraw/zinc/08/40/25/354084025.db2.gz RWGAUYKWJZZKBE-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000419846617 354084027 /nfs/dbraw/zinc/08/40/27/354084027.db2.gz RWGAUYKWJZZKBE-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419292362 354044229 /nfs/dbraw/zinc/04/42/29/354044229.db2.gz YMCRGGPKKGGATF-LBPRGKRZSA-N 2 1 286.420 -0.066 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419293034 354044254 /nfs/dbraw/zinc/04/42/54/354044254.db2.gz ZWOXRDWSSQDTKE-UHFFFAOYSA-N 2 1 270.377 -0.734 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000419300856 354044669 /nfs/dbraw/zinc/04/46/69/354044669.db2.gz MVUJVYZWORSNJB-QWRGUYRKSA-N 2 1 293.371 -0.483 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419285500 354044770 /nfs/dbraw/zinc/04/47/70/354044770.db2.gz MNDNVIBPYYBPKL-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419310806 354045798 /nfs/dbraw/zinc/04/57/98/354045798.db2.gz BCXSUIHXDHHMMA-ICCXJUOJSA-N 2 1 294.399 -0.561 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000419315211 354045863 /nfs/dbraw/zinc/04/58/63/354045863.db2.gz JNIVYRHEPYFJTD-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C[N@H+]1C1CC1 ZINC000419317466 354045997 /nfs/dbraw/zinc/04/59/97/354045997.db2.gz MUJGTFXBXAOBCB-SRVKXCTJSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419312838 354046088 /nfs/dbraw/zinc/04/60/88/354046088.db2.gz CXYDVNBEOXTAGB-NTZNESFSSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C[N@H+]1C1CC1 ZINC000419317464 354046176 /nfs/dbraw/zinc/04/61/76/354046176.db2.gz MUJGTFXBXAOBCB-SDDRHHMPSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000419319117 354046253 /nfs/dbraw/zinc/04/62/53/354046253.db2.gz OKGBFKJCZLYAQB-IJLUTSLNSA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000419325983 354046809 /nfs/dbraw/zinc/04/68/09/354046809.db2.gz XVGJHIPEBIIJGN-ZJUUUORDSA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C[N@H+]1C1CC1 ZINC000419324555 354046941 /nfs/dbraw/zinc/04/69/41/354046941.db2.gz VRQAZFBAGZQEMT-GHMZBOCLSA-N 2 1 294.399 -0.275 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000419324314 354047047 /nfs/dbraw/zinc/04/70/47/354047047.db2.gz VNKLEOXSVJOLCF-GRYCIOLGSA-N 2 1 294.399 -0.323 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000419402623 354051421 /nfs/dbraw/zinc/05/14/21/354051421.db2.gz CMNXLWIORACLBA-LBPRGKRZSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419402689 354051468 /nfs/dbraw/zinc/05/14/68/354051468.db2.gz CVPGDRACMIKZSP-OLZOCXBDSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000419408865 354052269 /nfs/dbraw/zinc/05/22/69/354052269.db2.gz MFUVFCYVMHEBME-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000419410004 354052340 /nfs/dbraw/zinc/05/23/40/354052340.db2.gz NWTALLJIIPRYNG-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000419410489 354052591 /nfs/dbraw/zinc/05/25/91/354052591.db2.gz OMPTZKXBPAXVOX-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCC[NH3+])C1 ZINC000419423443 354053315 /nfs/dbraw/zinc/05/33/15/354053315.db2.gz NJFLYWHGTJSUCV-TXEJJXNPSA-N 2 1 284.404 -0.455 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419416533 354053811 /nfs/dbraw/zinc/05/38/11/354053811.db2.gz WGRMIDGMXLZQHY-NSHDSACASA-N 2 1 270.377 -0.830 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419519021 354057710 /nfs/dbraw/zinc/05/77/10/354057710.db2.gz FFMVUPGCSXMYDX-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419525647 354058076 /nfs/dbraw/zinc/05/80/76/354058076.db2.gz RXFLMGFSNBYGOS-CMPLNLGQSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419526356 354058253 /nfs/dbraw/zinc/05/82/53/354058253.db2.gz STNRKFGXZFICAX-RWMBFGLXSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419524520 354058514 /nfs/dbraw/zinc/05/85/14/354058514.db2.gz PXLGORROQHOYSO-VXGBXAGGSA-N 2 1 286.420 -0.195 20 0 CBADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419526986 354058633 /nfs/dbraw/zinc/05/86/33/354058633.db2.gz UPDRFDYZSHGMGZ-SECBINFHSA-N 2 1 294.346 -0.457 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419526986 354058635 /nfs/dbraw/zinc/05/86/35/354058635.db2.gz UPDRFDYZSHGMGZ-SECBINFHSA-N 2 1 294.346 -0.457 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419526141 354058699 /nfs/dbraw/zinc/05/86/99/354058699.db2.gz SOLLZZAGGNCAIG-NXEZZACHSA-N 2 1 258.366 -0.704 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419524936 354058762 /nfs/dbraw/zinc/05/87/62/354058762.db2.gz QPNOGXDGUUSHHI-UPJWGTAASA-N 2 1 296.415 -0.489 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C1CC1 ZINC000419530300 354058781 /nfs/dbraw/zinc/05/87/81/354058781.db2.gz YVDPWPQQAZDPIC-GFCCVEGCSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419527014 354058801 /nfs/dbraw/zinc/05/88/01/354058801.db2.gz URIARJDIFFLSSE-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419527454 354058856 /nfs/dbraw/zinc/05/88/56/354058856.db2.gz VBVCQSDMHUHJKW-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCC[N@H+]1C ZINC000419540860 354059525 /nfs/dbraw/zinc/05/95/25/354059525.db2.gz CSMVMWOBZNKIRM-IJLUTSLNSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419561769 354061255 /nfs/dbraw/zinc/06/12/55/354061255.db2.gz UFNRKOHCPLMXCA-GMTAPVOTSA-N 2 1 270.377 -0.704 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000419555102 354061458 /nfs/dbraw/zinc/06/14/58/354061458.db2.gz IYZWPIAGGBEZCK-SDDRHHMPSA-N 2 1 284.404 -0.443 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419882158 354089101 /nfs/dbraw/zinc/08/91/01/354089101.db2.gz LYFXAGFLLHNCIW-GFCCVEGCSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419884213 354089662 /nfs/dbraw/zinc/08/96/62/354089662.db2.gz FNCFBSOSMWKVCQ-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000419897405 354091869 /nfs/dbraw/zinc/09/18/69/354091869.db2.gz VVGYMRJWIQOMCZ-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000419897405 354091874 /nfs/dbraw/zinc/09/18/74/354091874.db2.gz VVGYMRJWIQOMCZ-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C(C)C ZINC000419905122 354092077 /nfs/dbraw/zinc/09/20/77/354092077.db2.gz YMWCHCNRMUNUDJ-GFCCVEGCSA-N 2 1 284.404 -0.299 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000419919329 354093571 /nfs/dbraw/zinc/09/35/71/354093571.db2.gz LADGBFHGXZEFBP-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419938362 354094578 /nfs/dbraw/zinc/09/45/78/354094578.db2.gz PLFCNKQYOSEPOU-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000419960266 354097273 /nfs/dbraw/zinc/09/72/73/354097273.db2.gz WDTYQMBXCCCJQE-CHWSQXEVSA-N 2 1 298.431 -0.243 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000419960266 354097274 /nfs/dbraw/zinc/09/72/74/354097274.db2.gz WDTYQMBXCCCJQE-CHWSQXEVSA-N 2 1 298.431 -0.243 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000419964315 354098371 /nfs/dbraw/zinc/09/83/71/354098371.db2.gz FTXOLDBXQVJZOA-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419991903 354100148 /nfs/dbraw/zinc/10/01/48/354100148.db2.gz JAIPJNWEYFEHIU-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000419991119 354100341 /nfs/dbraw/zinc/10/03/41/354100341.db2.gz GRVTYIGIXJSHMB-CYBMUJFWSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC[N@@H+]1C ZINC000420007151 354102159 /nfs/dbraw/zinc/10/21/59/354102159.db2.gz SBLDXFJUCVXIND-RYUDHWBXSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC[N@H+]1C ZINC000420007151 354102160 /nfs/dbraw/zinc/10/21/60/354102160.db2.gz SBLDXFJUCVXIND-RYUDHWBXSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000420020991 354102743 /nfs/dbraw/zinc/10/27/43/354102743.db2.gz GRGPEWNTXIFGKK-GRYCIOLGSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000420019270 354102809 /nfs/dbraw/zinc/10/28/09/354102809.db2.gz BKVIHTFOWUTMCL-JTQLQIEISA-N 2 1 268.361 -0.854 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000420017927 354103204 /nfs/dbraw/zinc/10/32/04/354103204.db2.gz PCWQJVNLHPIDPT-CYBMUJFWSA-N 2 1 298.431 -0.114 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420035879 354103889 /nfs/dbraw/zinc/10/38/89/354103889.db2.gz KORNPCLDZLYSIK-CYBMUJFWSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC(C)(C)[NH3+])C[C@H]1C ZINC000420070043 354107028 /nfs/dbraw/zinc/10/70/28/354107028.db2.gz BTTZIBDQVIBCML-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC(C)(C)[NH3+])C[C@H]1C ZINC000420070043 354107032 /nfs/dbraw/zinc/10/70/32/354107032.db2.gz BTTZIBDQVIBCML-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CCC1 ZINC000420094123 354108182 /nfs/dbraw/zinc/10/81/82/354108182.db2.gz QUHXYNDCNZEAST-UHFFFAOYSA-N 2 1 294.399 -0.462 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000420142841 354111916 /nfs/dbraw/zinc/11/19/16/354111916.db2.gz KVCRIPSIWZMAQU-VXGBXAGGSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000420142841 354111918 /nfs/dbraw/zinc/11/19/18/354111918.db2.gz KVCRIPSIWZMAQU-VXGBXAGGSA-N 2 1 284.404 -0.491 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000420155102 354114136 /nfs/dbraw/zinc/11/41/36/354114136.db2.gz KJESHFPQERFQHI-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)N1CC[NH2+]CC1 ZINC000420270833 354120740 /nfs/dbraw/zinc/12/07/40/354120740.db2.gz JPJKKFWGIJPGIA-ZDUSSCGKSA-N 3 1 268.405 -0.260 20 0 CBADMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)N1CCNCC1 ZINC000420270833 354120742 /nfs/dbraw/zinc/12/07/42/354120742.db2.gz JPJKKFWGIJPGIA-ZDUSSCGKSA-N 2 1 268.405 -0.260 20 0 CBADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)N1CCNCC1 ZINC000420270833 354120743 /nfs/dbraw/zinc/12/07/43/354120743.db2.gz JPJKKFWGIJPGIA-ZDUSSCGKSA-N 2 1 268.405 -0.260 20 0 CBADMP COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420295175 354121390 /nfs/dbraw/zinc/12/13/90/354121390.db2.gz PCVBTROOGQLNHR-VXGBXAGGSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420295175 354121394 /nfs/dbraw/zinc/12/13/94/354121394.db2.gz PCVBTROOGQLNHR-VXGBXAGGSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420284752 354121638 /nfs/dbraw/zinc/12/16/38/354121638.db2.gz DKKUADWVMFJJDT-QWRGUYRKSA-N 2 1 271.361 -0.275 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420284752 354121642 /nfs/dbraw/zinc/12/16/42/354121642.db2.gz DKKUADWVMFJJDT-QWRGUYRKSA-N 2 1 271.361 -0.275 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000420289676 354121902 /nfs/dbraw/zinc/12/19/02/354121902.db2.gz KSKTUAIRZDJYEJ-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321576 354122558 /nfs/dbraw/zinc/12/25/58/354122558.db2.gz CXCCWKFAGZBLCU-QWHCGFSZSA-N 2 1 297.399 -0.013 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000420317411 354122864 /nfs/dbraw/zinc/12/28/64/354122864.db2.gz ONBUOIRLPYBTQM-NSHDSACASA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000420317411 354122868 /nfs/dbraw/zinc/12/28/68/354122868.db2.gz ONBUOIRLPYBTQM-NSHDSACASA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420312008 354123128 /nfs/dbraw/zinc/12/31/28/354123128.db2.gz HNDHMEXANOBMEY-MNOVXSKESA-N 2 1 271.361 -0.323 20 0 CBADMP CCC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420360259 354125342 /nfs/dbraw/zinc/12/53/42/354125342.db2.gz LTSCVXSZEQXNJK-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP CCC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420360259 354125343 /nfs/dbraw/zinc/12/53/43/354125343.db2.gz LTSCVXSZEQXNJK-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP COC(=O)[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420357567 354125941 /nfs/dbraw/zinc/12/59/41/354125941.db2.gz IGXVGPASLCURBD-LLVKDONJSA-N 2 1 269.345 -0.554 20 0 CBADMP COC(=O)[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420357567 354125943 /nfs/dbraw/zinc/12/59/43/354125943.db2.gz IGXVGPASLCURBD-LLVKDONJSA-N 2 1 269.345 -0.554 20 0 CBADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C1 ZINC000423245390 354165536 /nfs/dbraw/zinc/16/55/36/354165536.db2.gz OWQMQDOMELYVBA-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C1 ZINC000423245392 354165817 /nfs/dbraw/zinc/16/58/17/354165817.db2.gz OWQMQDOMELYVBA-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC[NH2+]1 ZINC000423267001 354166649 /nfs/dbraw/zinc/16/66/49/354166649.db2.gz DNFAOSUBZGITOA-DGCLKSJQSA-N 2 1 294.399 -0.498 20 0 CBADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423285710 354166798 /nfs/dbraw/zinc/16/67/98/354166798.db2.gz ZVPLRDJVPGLXDE-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC[NH2+]1 ZINC000423267006 354166898 /nfs/dbraw/zinc/16/68/98/354166898.db2.gz DNFAOSUBZGITOA-YPMHNXCESA-N 2 1 294.399 -0.498 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC[NH2+]1 ZINC000423266995 354166938 /nfs/dbraw/zinc/16/69/38/354166938.db2.gz DNFAOSUBZGITOA-AAEUAGOBSA-N 2 1 294.399 -0.498 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423368456 354172145 /nfs/dbraw/zinc/17/21/45/354172145.db2.gz ZWFXMZZRJCXOPI-OLZOCXBDSA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423368456 354172150 /nfs/dbraw/zinc/17/21/50/354172150.db2.gz ZWFXMZZRJCXOPI-OLZOCXBDSA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000423367342 354172749 /nfs/dbraw/zinc/17/27/49/354172749.db2.gz AFIPTHYJQKQGGT-CHWSQXEVSA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000423367342 354172750 /nfs/dbraw/zinc/17/27/50/354172750.db2.gz AFIPTHYJQKQGGT-CHWSQXEVSA-N 2 1 296.415 -0.408 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(=O)OC)C(C)C ZINC000423361657 354172764 /nfs/dbraw/zinc/17/27/64/354172764.db2.gz AKRHCUBYTQSBFT-JTQLQIEISA-N 2 1 259.350 -0.277 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH2+]1 ZINC000423367880 354172839 /nfs/dbraw/zinc/17/28/39/354172839.db2.gz ASQIVDKDODSCEN-UPJWGTAASA-N 2 1 294.399 -0.498 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000423386834 354173445 /nfs/dbraw/zinc/17/34/45/354173445.db2.gz RSXLGWQCORUOOJ-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)C1 ZINC000423379391 354173861 /nfs/dbraw/zinc/17/38/61/354173861.db2.gz LVCDSFIFOIYZLC-STQMWFEESA-N 2 1 296.415 -0.395 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)C1 ZINC000423379391 354173863 /nfs/dbraw/zinc/17/38/63/354173863.db2.gz LVCDSFIFOIYZLC-STQMWFEESA-N 2 1 296.415 -0.395 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@H]1C ZINC000423394355 354175011 /nfs/dbraw/zinc/17/50/11/354175011.db2.gz RIHSUPAKWQKSOY-IJLUTSLNSA-N 2 1 282.388 -0.513 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@H]1C ZINC000423394355 354175015 /nfs/dbraw/zinc/17/50/15/354175015.db2.gz RIHSUPAKWQKSOY-IJLUTSLNSA-N 2 1 282.388 -0.513 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000423426194 354175555 /nfs/dbraw/zinc/17/55/55/354175555.db2.gz MZSDLLRNODCYLR-VWYCJHECSA-N 2 1 269.345 -0.428 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000423426194 354175558 /nfs/dbraw/zinc/17/55/58/354175558.db2.gz MZSDLLRNODCYLR-VWYCJHECSA-N 2 1 269.345 -0.428 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000422733747 354152145 /nfs/dbraw/zinc/15/21/45/354152145.db2.gz RNNHECXAUSYUCF-NEPJUHHUSA-N 2 1 255.362 -0.036 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000422733747 354152148 /nfs/dbraw/zinc/15/21/48/354152148.db2.gz RNNHECXAUSYUCF-NEPJUHHUSA-N 2 1 255.362 -0.036 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422975815 354158347 /nfs/dbraw/zinc/15/83/47/354158347.db2.gz UEZJZAHCZSXFNV-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422972966 354158479 /nfs/dbraw/zinc/15/84/79/354158479.db2.gz NGEVKSJNIYEGLK-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000422970866 354158619 /nfs/dbraw/zinc/15/86/19/354158619.db2.gz HHOFYQXMHVPYMW-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CCS(=O)(=O)N1CC(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423055001 354161897 /nfs/dbraw/zinc/16/18/97/354161897.db2.gz CNTYMQZBJHXNEP-JQWIXIFHSA-N 2 1 275.418 -0.145 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000423121933 354162761 /nfs/dbraw/zinc/16/27/61/354162761.db2.gz BHRJIFUPZUEMFY-ZDUSSCGKSA-N 2 1 294.399 -0.510 20 0 CBADMP CN1CCN(C(=O)CC[N@@H+](C)[C@]2(CO)CCOC2)CC1 ZINC000328678953 202008261 /nfs/dbraw/zinc/00/82/61/202008261.db2.gz MQQOSIYERZJIDH-AWEZNQCLSA-N 2 1 285.388 -0.766 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@]1(CO)CCOC1 ZINC000328678953 202008264 /nfs/dbraw/zinc/00/82/64/202008264.db2.gz MQQOSIYERZJIDH-AWEZNQCLSA-N 2 1 285.388 -0.766 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000423597429 354182448 /nfs/dbraw/zinc/18/24/48/354182448.db2.gz UCDRWUYNPZSSBN-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423626562 354186280 /nfs/dbraw/zinc/18/62/80/354186280.db2.gz HJMXGPWRZHVSNS-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP COC[C@@]1(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CCC[NH2+]1 ZINC000423631039 354187052 /nfs/dbraw/zinc/18/70/52/354187052.db2.gz FXRDPANTZKEEAY-ZFWWWQNUSA-N 2 1 299.415 -0.020 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000423656147 354189453 /nfs/dbraw/zinc/18/94/53/354189453.db2.gz TZQSQGPGGHNXMF-CHWSQXEVSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C[C@H](C)[N@H+]1C ZINC000423699115 354192272 /nfs/dbraw/zinc/19/22/72/354192272.db2.gz QJJJKTLPBCPPGY-ZOWXZIJZSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000423699115 354192276 /nfs/dbraw/zinc/19/22/76/354192276.db2.gz QJJJKTLPBCPPGY-ZOWXZIJZSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC000423731810 354194592 /nfs/dbraw/zinc/19/45/92/354194592.db2.gz YNHMLNVMYLWGMT-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423733899 354194637 /nfs/dbraw/zinc/19/46/37/354194637.db2.gz QLOZTBWLQKSDLC-YPMHNXCESA-N 2 1 294.399 -0.641 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423731188 354194724 /nfs/dbraw/zinc/19/47/24/354194724.db2.gz YPKWFDPZFCBNMH-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C1 ZINC000423729263 354195057 /nfs/dbraw/zinc/19/50/57/354195057.db2.gz UZEBNCUZLCLIOC-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C[C@H](C)[N@@H+]1C ZINC000423741274 354195653 /nfs/dbraw/zinc/19/56/53/354195653.db2.gz SQUBOUHAUUSIHQ-RVMXOQNASA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C[C@H](C)[N@H+]1C ZINC000423741274 354195655 /nfs/dbraw/zinc/19/56/55/354195655.db2.gz SQUBOUHAUUSIHQ-RVMXOQNASA-N 2 1 296.415 -0.267 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000423783742 354199236 /nfs/dbraw/zinc/19/92/36/354199236.db2.gz KQUVFHXXDAKHKW-LLVKDONJSA-N 2 1 283.372 -0.308 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000423807137 354200608 /nfs/dbraw/zinc/20/06/08/354200608.db2.gz VIWHEOCVSZTRNA-JHJVBQTASA-N 2 1 269.389 -0.054 20 0 CBADMP C[NH2+]CCC(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000423786971 354200741 /nfs/dbraw/zinc/20/07/41/354200741.db2.gz QQYJNWPRARZUKB-NSHDSACASA-N 2 1 271.361 -0.308 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000423799907 354200791 /nfs/dbraw/zinc/20/07/91/354200791.db2.gz KVWMOOCONIJEDD-LLVKDONJSA-N 2 1 270.377 -0.702 20 0 CBADMP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CCCC[NH2+]1 ZINC000423838586 354201075 /nfs/dbraw/zinc/20/10/75/354201075.db2.gz XQZIPQHAAUGXTM-GFCCVEGCSA-N 2 1 255.362 -0.033 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@H]1CCCC[NH2+]1 ZINC000423838586 354201081 /nfs/dbraw/zinc/20/10/81/354201081.db2.gz XQZIPQHAAUGXTM-GFCCVEGCSA-N 2 1 255.362 -0.033 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000423844078 354202341 /nfs/dbraw/zinc/20/23/41/354202341.db2.gz IREBNYOTYKHOFC-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@H](C)[NH3+])C[C@H]1C ZINC000423885532 354203792 /nfs/dbraw/zinc/20/37/92/354203792.db2.gz DSYUPTHJFDOYJA-WDEREUQCSA-N 2 1 271.361 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@H](C)[NH3+])C[C@H]1C ZINC000423885532 354203794 /nfs/dbraw/zinc/20/37/94/354203794.db2.gz DSYUPTHJFDOYJA-WDEREUQCSA-N 2 1 271.361 -0.181 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@@H]1C ZINC000423902931 354205382 /nfs/dbraw/zinc/20/53/82/354205382.db2.gz VUFVZDWWDUGVQX-NSHDSACASA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@@H]1C ZINC000423902931 354205383 /nfs/dbraw/zinc/20/53/83/354205383.db2.gz VUFVZDWWDUGVQX-NSHDSACASA-N 2 1 283.372 -0.308 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C[NH3+])C2CC2)C1 ZINC000423947866 354206394 /nfs/dbraw/zinc/20/63/94/354206394.db2.gz LFAMIRJKGIRFEY-VXGBXAGGSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C[NH3+])C2CC2)C1 ZINC000423947866 354206395 /nfs/dbraw/zinc/20/63/95/354206395.db2.gz LFAMIRJKGIRFEY-VXGBXAGGSA-N 2 1 255.362 -0.097 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424129059 354210031 /nfs/dbraw/zinc/21/00/31/354210031.db2.gz FYWYXBUUNXUXMH-VXGBXAGGSA-N 2 1 292.387 -0.116 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424129057 354210095 /nfs/dbraw/zinc/21/00/95/354210095.db2.gz FYWYXBUUNXUXMH-RYUDHWBXSA-N 2 1 292.387 -0.116 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H](C)O1 ZINC000424133949 354210773 /nfs/dbraw/zinc/21/07/73/354210773.db2.gz MZMVTPULENXTSA-KXNHARMFSA-N 2 1 255.362 -0.051 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1C ZINC000424173299 354213841 /nfs/dbraw/zinc/21/38/41/354213841.db2.gz PGJTZBFCMFIPJQ-MXWKQRLJSA-N 2 1 269.345 -0.571 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1C ZINC000424173299 354213845 /nfs/dbraw/zinc/21/38/45/354213845.db2.gz PGJTZBFCMFIPJQ-MXWKQRLJSA-N 2 1 269.345 -0.571 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C1 ZINC000423508280 354178377 /nfs/dbraw/zinc/17/83/77/354178377.db2.gz KROKANGPGGSTRX-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000430764931 354250899 /nfs/dbraw/zinc/25/08/99/354250899.db2.gz UQECUHTTXLXUSA-UONOGXRCSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@H](CNC(=O)C(C)(C)[NH3+])CN1CC[NH+](C)CC1 ZINC000431002980 354251336 /nfs/dbraw/zinc/25/13/36/354251336.db2.gz FAUDVJKYCPHOHV-LLVKDONJSA-N 2 1 256.394 -0.277 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000431013216 354251423 /nfs/dbraw/zinc/25/14/23/354251423.db2.gz HWKVZCCIMGWZOO-STQMWFEESA-N 2 1 270.421 -0.158 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000431013213 354251612 /nfs/dbraw/zinc/25/16/12/354251612.db2.gz HWKVZCCIMGWZOO-CHWSQXEVSA-N 2 1 270.421 -0.158 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)[N@@H+]1CCCC[C@H]1C ZINC000438884244 354256810 /nfs/dbraw/zinc/25/68/10/354256810.db2.gz RHMPKDJMXUJTBW-VWYCJHECSA-N 2 1 270.377 -0.432 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)[N@H+]1CCCC[C@H]1C ZINC000438884244 354256812 /nfs/dbraw/zinc/25/68/12/354256812.db2.gz RHMPKDJMXUJTBW-VWYCJHECSA-N 2 1 270.377 -0.432 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000442757400 354259020 /nfs/dbraw/zinc/25/90/20/354259020.db2.gz GQQZGSITUCUOLP-SGMGOOAPSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442766282 354259041 /nfs/dbraw/zinc/25/90/41/354259041.db2.gz KSKFZYFOFZVTBH-GRYCIOLGSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442766282 354259044 /nfs/dbraw/zinc/25/90/44/354259044.db2.gz KSKFZYFOFZVTBH-GRYCIOLGSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442785821 354259505 /nfs/dbraw/zinc/25/95/05/354259505.db2.gz YLGNLIZEYSPMMH-YVECIDJPSA-N 2 1 296.415 -0.232 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443079633 354260040 /nfs/dbraw/zinc/26/00/40/354260040.db2.gz ZUTZCJJTJJECAK-LLVKDONJSA-N 2 1 263.407 -0.014 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444164746 354261942 /nfs/dbraw/zinc/26/19/42/354261942.db2.gz GGPZGKFCJBARBF-NWDGAFQWSA-N 2 1 255.362 -0.179 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000424213813 354218824 /nfs/dbraw/zinc/21/88/24/354218824.db2.gz BBCYWKDGCKMKEI-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000424217998 354219298 /nfs/dbraw/zinc/21/92/98/354219298.db2.gz PUFYRBUBSDSHPT-LLVKDONJSA-N 2 1 273.377 -0.471 20 0 CBADMP COCCCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424333242 354222494 /nfs/dbraw/zinc/22/24/94/354222494.db2.gz LXWOMSCRISXYHM-VXGBXAGGSA-N 2 1 293.433 -0.198 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000447436877 354298793 /nfs/dbraw/zinc/29/87/93/354298793.db2.gz AYHYGWBHUOGZIF-NEPJUHHUSA-N 2 1 273.377 -0.423 20 0 CBADMP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000444351243 354270899 /nfs/dbraw/zinc/27/08/99/354270899.db2.gz JMHJJLZSJYUOAK-GXTWGEPZSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000444351243 354270903 /nfs/dbraw/zinc/27/09/03/354270903.db2.gz JMHJJLZSJYUOAK-GXTWGEPZSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000444351243 354270906 /nfs/dbraw/zinc/27/09/06/354270906.db2.gz JMHJJLZSJYUOAK-GXTWGEPZSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000444351243 354270910 /nfs/dbraw/zinc/27/09/10/354270910.db2.gz JMHJJLZSJYUOAK-GXTWGEPZSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@H]1C[C@H](O)C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000452067078 354346477 /nfs/dbraw/zinc/34/64/77/354346477.db2.gz HGOOVOVLWZTXCY-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1C[C@H](O)C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000452067078 354346479 /nfs/dbraw/zinc/34/64/79/354346479.db2.gz HGOOVOVLWZTXCY-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000452366025 354349661 /nfs/dbraw/zinc/34/96/61/354349661.db2.gz OGICGYCBVJNGPI-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000452366025 354349665 /nfs/dbraw/zinc/34/96/65/354349665.db2.gz OGICGYCBVJNGPI-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000452366025 354349667 /nfs/dbraw/zinc/34/96/67/354349667.db2.gz OGICGYCBVJNGPI-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC000452366025 354349670 /nfs/dbraw/zinc/34/96/70/354349670.db2.gz OGICGYCBVJNGPI-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+]1CCC[C@H]1CC[NH+](CCO)CCOCCO ZINC000459801137 354387106 /nfs/dbraw/zinc/38/71/06/354387106.db2.gz XGTFLRFLDFGAPB-ZDUSSCGKSA-N 2 1 260.378 -0.226 20 0 CBADMP C[N@H+]1CCC[C@H]1CC[NH+](CCO)CCOCCO ZINC000459801137 354387108 /nfs/dbraw/zinc/38/71/08/354387108.db2.gz XGTFLRFLDFGAPB-ZDUSSCGKSA-N 2 1 260.378 -0.226 20 0 CBADMP C[NH+]1CCC[C@H]1CC[N@H+](CCO)CCOCCO ZINC000459801137 354387111 /nfs/dbraw/zinc/38/71/11/354387111.db2.gz XGTFLRFLDFGAPB-ZDUSSCGKSA-N 2 1 260.378 -0.226 20 0 CBADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCO)CCOCCO ZINC000459801137 354387112 /nfs/dbraw/zinc/38/71/12/354387112.db2.gz XGTFLRFLDFGAPB-ZDUSSCGKSA-N 2 1 260.378 -0.226 20 0 CBADMP CN1CC[NH+](CCCNC(=O)/C=C\C[NH+](C)C)CC1 ZINC000491896259 354461956 /nfs/dbraw/zinc/46/19/56/354461956.db2.gz ZANBUAXOYZBJTG-XQRVVYSFSA-N 2 1 268.405 -0.142 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)/C=C/C[NH+](C)C ZINC000491909161 354462361 /nfs/dbraw/zinc/46/23/61/354462361.db2.gz WNPHCLYUJRHCTH-GFUIURDCSA-N 2 1 268.405 -0.144 20 0 CBADMP C[NH+](C)C/C=C/C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000492069251 354465802 /nfs/dbraw/zinc/46/58/02/354465802.db2.gz RLSSNHDRZAVMCB-ISZGNANSSA-N 2 1 285.388 -0.696 20 0 CBADMP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000492875259 354483725 /nfs/dbraw/zinc/48/37/25/354483725.db2.gz RUJFAUOTBFOMNB-AWEZNQCLSA-N 2 1 280.416 -0.023 20 0 CBADMP COC(=O)N1CCC([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000495404881 354504236 /nfs/dbraw/zinc/50/42/36/354504236.db2.gz WPDFXVYYWRKOAD-CYBMUJFWSA-N 2 1 271.361 -0.127 20 0 CBADMP COC(=O)N1CCC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000495404881 354504239 /nfs/dbraw/zinc/50/42/39/354504239.db2.gz WPDFXVYYWRKOAD-CYBMUJFWSA-N 2 1 271.361 -0.127 20 0 CBADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000535431338 354601890 /nfs/dbraw/zinc/60/18/90/354601890.db2.gz CPVZWFQVCDEWRN-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000535431338 354601891 /nfs/dbraw/zinc/60/18/91/354601891.db2.gz CPVZWFQVCDEWRN-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000518530722 354558758 /nfs/dbraw/zinc/55/87/58/354558758.db2.gz AJQCELXKZZIGCP-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP CN(CCC[NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000519426700 354561727 /nfs/dbraw/zinc/56/17/27/354561727.db2.gz MVLAHXCFHZDFAS-UHFFFAOYSA-N 2 1 258.366 -0.301 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CNC(=O)C[NH3+])C1 ZINC000519540887 354562295 /nfs/dbraw/zinc/56/22/95/354562295.db2.gz MJUWUEPMNWZNAY-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CNC(=O)C[NH3+])C1 ZINC000519540882 354562566 /nfs/dbraw/zinc/56/25/66/354562566.db2.gz MJUWUEPMNWZNAY-GHMZBOCLSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CNC(=O)C[NH3+])C1 ZINC000519540891 354562854 /nfs/dbraw/zinc/56/28/54/354562854.db2.gz MJUWUEPMNWZNAY-WDEREUQCSA-N 2 1 268.361 -0.996 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)C1 ZINC000519551405 354563525 /nfs/dbraw/zinc/56/35/25/354563525.db2.gz LXXBASAIAWJQDD-SWLSCSKDSA-N 2 1 281.400 -0.099 20 0 CBADMP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000525437680 354571574 /nfs/dbraw/zinc/57/15/74/354571574.db2.gz WPTXTXZSABCSDT-GFCCVEGCSA-N 2 1 296.415 -0.021 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000526127154 354575384 /nfs/dbraw/zinc/57/53/84/354575384.db2.gz FTEZEOAMSQCXMC-AWEZNQCLSA-N 2 1 299.415 -0.207 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529320579 354584747 /nfs/dbraw/zinc/58/47/47/354584747.db2.gz YNEUFSYVELSWBW-NTZNESFSSA-N 2 1 282.388 -0.243 20 0 CBADMP C[N@@H+](CCNC(=O)NC[C@@]1(O)CC[NH+](C)C1)C1CC1 ZINC000545176371 354643895 /nfs/dbraw/zinc/64/38/95/354643895.db2.gz CYOJVKDUFSQFJO-ZDUSSCGKSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+](CCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000545176371 354643897 /nfs/dbraw/zinc/64/38/97/354643897.db2.gz CYOJVKDUFSQFJO-ZDUSSCGKSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+](CCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000545176371 354643899 /nfs/dbraw/zinc/64/38/99/354643899.db2.gz CYOJVKDUFSQFJO-ZDUSSCGKSA-N 2 1 270.377 -0.554 20 0 CBADMP CO[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000537619166 354612123 /nfs/dbraw/zinc/61/21/23/354612123.db2.gz YMFJHYCKZKIICC-NWDGAFQWSA-N 2 1 283.372 -0.214 20 0 CBADMP CO[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000537619166 354612125 /nfs/dbraw/zinc/61/21/25/354612125.db2.gz YMFJHYCKZKIICC-NWDGAFQWSA-N 2 1 283.372 -0.214 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000557242093 354686025 /nfs/dbraw/zinc/68/60/25/354686025.db2.gz ZWVRGSMTOWWWKY-KGLIPLIRSA-N 2 1 297.447 -0.127 20 0 CBADMP CN1CCN(C[C@H](O)C[NH2+]CCC2CC[NH+](C)CC2)CC1 ZINC000562987399 354691006 /nfs/dbraw/zinc/69/10/06/354691006.db2.gz NZWJPHHCAGGULU-MRXNPFEDSA-N 2 1 298.475 -0.084 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1C)CN1CC[NH+](C)CC1 ZINC000563077519 354694691 /nfs/dbraw/zinc/69/46/91/354694691.db2.gz IFCOPMKZNINIDW-MCIONIFRSA-N 2 1 282.432 -0.016 20 0 CBADMP C[C@@H](CNC(=O)C1([NH3+])CCC1)C[NH+]1CCOCC1 ZINC000563081621 354695301 /nfs/dbraw/zinc/69/53/01/354695301.db2.gz LFYZGWOOMXRHEA-NSHDSACASA-N 2 1 255.362 -0.048 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3COCC[NH2+]3)[C@H]2C1 ZINC000563085680 354695311 /nfs/dbraw/zinc/69/53/11/354695311.db2.gz WQEKWNCQMATYOS-AGIUHOORSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000563083539 354695354 /nfs/dbraw/zinc/69/53/54/354695354.db2.gz PLAVVPMVWJCHCD-LBPRGKRZSA-N 2 1 256.394 -0.323 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000563117004 354697723 /nfs/dbraw/zinc/69/77/23/354697723.db2.gz RGVNITXEABCISX-KBPBESRZSA-N 2 1 297.399 -0.266 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000563153679 354699495 /nfs/dbraw/zinc/69/94/95/354699495.db2.gz DMONATIIWCUNGD-VWYCJHECSA-N 2 1 268.361 -0.109 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000563160527 354700958 /nfs/dbraw/zinc/70/09/58/354700958.db2.gz VKJGXWBXADEVLF-BZPMIXESSA-N 2 1 298.431 -0.116 20 0 CBADMP C[NH2+]CCCC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000563166163 354701026 /nfs/dbraw/zinc/70/10/26/354701026.db2.gz PSCSILRCTVEVPV-LLVKDONJSA-N 2 1 265.361 -0.107 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000563160530 354701032 /nfs/dbraw/zinc/70/10/32/354701032.db2.gz VKJGXWBXADEVLF-OBJOEFQTSA-N 2 1 298.431 -0.116 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)CC2 ZINC000563248455 354704323 /nfs/dbraw/zinc/70/43/23/354704323.db2.gz BXYJEZIVNITMEV-IUODEOHRSA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)CC2 ZINC000563248455 354704327 /nfs/dbraw/zinc/70/43/27/354704327.db2.gz BXYJEZIVNITMEV-IUODEOHRSA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000564228704 354711677 /nfs/dbraw/zinc/71/16/77/354711677.db2.gz AOZBKISGFBBWKG-UHFFFAOYSA-N 2 1 267.333 -0.885 20 0 CBADMP C[C@@]1(F)CNCC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000564453417 354712991 /nfs/dbraw/zinc/71/29/91/354712991.db2.gz NFOTXZIWXKNCOP-TZMCWYRMSA-N 2 1 286.395 -0.183 20 0 CBADMP C[C@@]1(F)CNCC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000564453417 354712992 /nfs/dbraw/zinc/71/29/92/354712992.db2.gz NFOTXZIWXKNCOP-TZMCWYRMSA-N 2 1 286.395 -0.183 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000564732997 354715329 /nfs/dbraw/zinc/71/53/29/354715329.db2.gz KFHJBQMUDYDSPO-UKRRQHHQSA-N 3 1 298.431 -0.899 20 0 CBADMP CCC[C@@H]1CNCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000564799326 354717568 /nfs/dbraw/zinc/71/75/68/354717568.db2.gz UOQCJHXCUHUJRC-CYBMUJFWSA-N 2 1 268.405 -0.118 20 0 CBADMP CCC[C@@H]1CNCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000564799326 354717571 /nfs/dbraw/zinc/71/75/71/354717571.db2.gz UOQCJHXCUHUJRC-CYBMUJFWSA-N 2 1 268.405 -0.118 20 0 CBADMP CSC[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000564855267 354718382 /nfs/dbraw/zinc/71/83/82/354718382.db2.gz DSNNTQLDTPSQKH-LLVKDONJSA-N 2 1 275.418 -0.536 20 0 CBADMP C[NH2+][C@H](C(=O)NCC1([NH3+])CCC1)c1cnn(C)c1 ZINC000564932099 354721052 /nfs/dbraw/zinc/72/10/52/354721052.db2.gz UJRUTXNZCSNPQB-JTQLQIEISA-N 2 1 251.334 -0.322 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000564957213 354723030 /nfs/dbraw/zinc/72/30/30/354723030.db2.gz FVAJGJNABIALRJ-GXFFZTMASA-N 2 1 286.351 -0.985 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC3CCOCC3)CCN2C1=O ZINC000565233709 354733929 /nfs/dbraw/zinc/73/39/29/354733929.db2.gz OXGCEKOEVFXQSS-NWDGAFQWSA-N 2 1 253.346 -0.343 20 0 CBADMP COC[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000564988640 354724503 /nfs/dbraw/zinc/72/45/03/354724503.db2.gz KQDYJCKYGLVODN-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CN(C)C(=O)CC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000564988142 354725029 /nfs/dbraw/zinc/72/50/29/354725029.db2.gz PNSDKNGWDIMTAR-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)CCCC[NH3+])CC1 ZINC000565032968 354726522 /nfs/dbraw/zinc/72/65/22/354726522.db2.gz ORPFHJWUJSWPIJ-UHFFFAOYSA-N 2 1 270.377 -0.604 20 0 CBADMP c1cnc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)cn1 ZINC000565047454 354727326 /nfs/dbraw/zinc/72/73/26/354727326.db2.gz RRWLZKHSMLOHTO-UHFFFAOYSA-N 2 1 276.388 -0.496 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)C1CCOCC1 ZINC000565154950 354728801 /nfs/dbraw/zinc/72/88/01/354728801.db2.gz CVRIETZLRHMXEA-KGLIPLIRSA-N 2 1 290.404 -0.697 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)C1CCOCC1 ZINC000565154950 354728803 /nfs/dbraw/zinc/72/88/03/354728803.db2.gz CVRIETZLRHMXEA-KGLIPLIRSA-N 2 1 290.404 -0.697 20 0 CBADMP CCOC[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000566117648 354753607 /nfs/dbraw/zinc/75/36/07/354753607.db2.gz TUOWKVOZLHFLQU-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000566171323 354755344 /nfs/dbraw/zinc/75/53/44/354755344.db2.gz LKVVEXWEGANGKQ-NWDGAFQWSA-N 2 1 292.387 -0.288 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000566214651 354758225 /nfs/dbraw/zinc/75/82/25/354758225.db2.gz XGOFWOAUZOZTFH-JFGNBEQYSA-N 2 1 259.325 -0.347 20 0 CBADMP O=C1CC[C@@H]([NH2+][C@@H]2CCCNC2)[C@H](C2CC[NH2+]CC2)N1 ZINC000566229712 354758553 /nfs/dbraw/zinc/75/85/53/354758553.db2.gz MANRIYAVPPGLQU-NFAWXSAZSA-N 2 1 280.416 -0.025 20 0 CBADMP O=C1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@H](C2CC[NH2+]CC2)N1 ZINC000566229712 354758555 /nfs/dbraw/zinc/75/85/55/354758555.db2.gz MANRIYAVPPGLQU-NFAWXSAZSA-N 3 1 280.416 -0.025 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000566289758 354761973 /nfs/dbraw/zinc/76/19/73/354761973.db2.gz ZOCKHQMQDVWSBC-TXEJJXNPSA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)[C@@]1(C)CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000566417920 354765442 /nfs/dbraw/zinc/76/54/42/354765442.db2.gz WAQYRWZGABHTLF-OCCSQVGLSA-N 2 1 287.404 -0.617 20 0 CBADMP CNC(=O)[C@@]1(C)CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000566417920 354765447 /nfs/dbraw/zinc/76/54/47/354765447.db2.gz WAQYRWZGABHTLF-OCCSQVGLSA-N 2 1 287.404 -0.617 20 0 CBADMP CNC(=O)[C@@]1(C)CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000566417920 354765450 /nfs/dbraw/zinc/76/54/50/354765450.db2.gz WAQYRWZGABHTLF-OCCSQVGLSA-N 2 1 287.404 -0.617 20 0 CBADMP CNC(=O)[C@@]1(C)CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000566417920 354765456 /nfs/dbraw/zinc/76/54/56/354765456.db2.gz WAQYRWZGABHTLF-OCCSQVGLSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000567613899 354791557 /nfs/dbraw/zinc/79/15/57/354791557.db2.gz SSUNPSPVUAQLHY-RVMXOQNASA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000566621565 354771843 /nfs/dbraw/zinc/77/18/43/354771843.db2.gz GSQGPLGSJTZPNL-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@H](O)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000566792100 354774571 /nfs/dbraw/zinc/77/45/71/354774571.db2.gz KLVAUBSGPYSZHI-SRVKXCTJSA-N 2 1 257.378 -0.067 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CC[NH2+]C1CC1 ZINC000567248508 354784219 /nfs/dbraw/zinc/78/42/19/354784219.db2.gz FMCHGSKSWFKALC-LBPRGKRZSA-N 2 1 282.388 -0.416 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000567353306 354785799 /nfs/dbraw/zinc/78/57/99/354785799.db2.gz LMSBPFJQGPIAFF-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000565429713 354738219 /nfs/dbraw/zinc/73/82/19/354738219.db2.gz HKTFLJFSKHWXJC-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000565429713 354738220 /nfs/dbraw/zinc/73/82/20/354738220.db2.gz HKTFLJFSKHWXJC-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000565429713 354738221 /nfs/dbraw/zinc/73/82/21/354738221.db2.gz HKTFLJFSKHWXJC-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000565429713 354738222 /nfs/dbraw/zinc/73/82/22/354738222.db2.gz HKTFLJFSKHWXJC-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000565429713 354738223 /nfs/dbraw/zinc/73/82/23/354738223.db2.gz HKTFLJFSKHWXJC-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000565429713 354738224 /nfs/dbraw/zinc/73/82/24/354738224.db2.gz HKTFLJFSKHWXJC-DGCLKSJQSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)COC1C[NH2+]C1 ZINC000567811715 354798244 /nfs/dbraw/zinc/79/82/44/354798244.db2.gz BFJNDFKLWXMOJZ-JQWIXIFHSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000567880065 354802726 /nfs/dbraw/zinc/80/27/26/354802726.db2.gz AYQXOECRBOQTDD-NNYUYHANSA-N 2 1 284.404 -0.173 20 0 CBADMP CS(=O)(=O)NCC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567894712 354803411 /nfs/dbraw/zinc/80/34/11/354803411.db2.gz PNKRGNKQHHZSDL-LLVKDONJSA-N 2 1 291.417 -0.777 20 0 CBADMP CS(=O)(=O)NCC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567894712 354803415 /nfs/dbraw/zinc/80/34/15/354803415.db2.gz PNKRGNKQHHZSDL-LLVKDONJSA-N 2 1 291.417 -0.777 20 0 CBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)[C@H]2C1 ZINC000567909848 354804882 /nfs/dbraw/zinc/80/48/82/354804882.db2.gz WUEUIRNSNHQPCT-USZNOCQGSA-N 2 1 271.336 -0.382 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](COC)(C(=O)OC)C1 ZINC000568177422 354813057 /nfs/dbraw/zinc/81/30/57/354813057.db2.gz VESRPSJENMGHPX-OCCSQVGLSA-N 2 1 288.388 -0.190 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](COC)(C(=O)OC)C1 ZINC000568177422 354813060 /nfs/dbraw/zinc/81/30/60/354813060.db2.gz VESRPSJENMGHPX-OCCSQVGLSA-N 2 1 288.388 -0.190 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](COC)(C(=O)OC)C1 ZINC000568177422 354813062 /nfs/dbraw/zinc/81/30/62/354813062.db2.gz VESRPSJENMGHPX-OCCSQVGLSA-N 2 1 288.388 -0.190 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](COC)(C(=O)OC)C1 ZINC000568177422 354813065 /nfs/dbraw/zinc/81/30/65/354813065.db2.gz VESRPSJENMGHPX-OCCSQVGLSA-N 2 1 288.388 -0.190 20 0 CBADMP C[N@H+](C[C@H](O)CN1CCN(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000568167872 354813091 /nfs/dbraw/zinc/81/30/91/354813091.db2.gz QOSVBTZWSCGXCU-ZDUSSCGKSA-N 2 1 279.388 -0.013 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CCN(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000568167872 354813094 /nfs/dbraw/zinc/81/30/94/354813094.db2.gz QOSVBTZWSCGXCU-ZDUSSCGKSA-N 2 1 279.388 -0.013 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)[NH+](CCO)C[C@@H]1C ZINC000568181145 354814432 /nfs/dbraw/zinc/81/44/32/354814432.db2.gz LXBCISCMXYWZGI-IHRRRGAJSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000568181145 354814434 /nfs/dbraw/zinc/81/44/34/354814434.db2.gz LXBCISCMXYWZGI-IHRRRGAJSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000568181145 354814436 /nfs/dbraw/zinc/81/44/36/354814436.db2.gz LXBCISCMXYWZGI-IHRRRGAJSA-N 2 1 273.421 -0.314 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)C1 ZINC000568211612 354815355 /nfs/dbraw/zinc/81/53/55/354815355.db2.gz CXDSVAHDNKYVDP-FZMZJTMJSA-N 2 1 267.373 -0.489 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000568294475 354821176 /nfs/dbraw/zinc/82/11/76/354821176.db2.gz SUBMGMAXRFXPMC-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000568609408 354827650 /nfs/dbraw/zinc/82/76/50/354827650.db2.gz YPIAKEBOFPRJPJ-QWHCGFSZSA-N 2 1 283.420 -0.374 20 0 CBADMP O=C(COC1CC[NH2+]CC1)NCC[N@H+]1CCCOCC1 ZINC000568628349 354828734 /nfs/dbraw/zinc/82/87/34/354828734.db2.gz SROGHIUIDXHUAP-UHFFFAOYSA-N 2 1 285.388 -0.407 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000568738321 354830500 /nfs/dbraw/zinc/83/05/00/354830500.db2.gz ZHZBRFPGUSMPNK-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP [NH3+]CCCn1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)nn1 ZINC000567772288 354796130 /nfs/dbraw/zinc/79/61/30/354796130.db2.gz QOKNBXWPLRXFFB-SNVBAGLBSA-N 2 1 278.360 -0.407 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)C[C@@H]1O ZINC000570939002 354874218 /nfs/dbraw/zinc/87/42/18/354874218.db2.gz BLCINAPBANFKCB-SRVKXCTJSA-N 2 1 287.429 -0.443 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)CC[C@@H]1[NH3+] ZINC000571047367 354875963 /nfs/dbraw/zinc/87/59/63/354875963.db2.gz VAFLOCMOXHSTNJ-STQMWFEESA-N 3 1 268.405 -0.180 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000571047367 354875969 /nfs/dbraw/zinc/87/59/69/354875969.db2.gz VAFLOCMOXHSTNJ-STQMWFEESA-N 3 1 268.405 -0.180 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000569118899 354839447 /nfs/dbraw/zinc/83/94/47/354839447.db2.gz VAAMPXNTJOCRAP-UHFFFAOYSA-N 2 1 282.388 -0.639 20 0 CBADMP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000569327504 354843145 /nfs/dbraw/zinc/84/31/45/354843145.db2.gz RRLAMFFDTRSJDC-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP CN1CC[C@@H]([N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000570280667 354858420 /nfs/dbraw/zinc/85/84/20/354858420.db2.gz FAMZJYDIUUPXBU-CHWSQXEVSA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)c1cnn(C)c1 ZINC000570330786 354859392 /nfs/dbraw/zinc/85/93/92/354859392.db2.gz MXESUIRFBDGQOE-VHSXEESVSA-N 2 1 287.314 -0.206 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)CCOC2C[NH2+]C2)C1 ZINC000570520429 354863888 /nfs/dbraw/zinc/86/38/88/354863888.db2.gz XNCVFPKRSGOOEQ-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000572039542 354886122 /nfs/dbraw/zinc/88/61/22/354886122.db2.gz PTOXORSVWWJSLJ-TUAOUCFPSA-N 2 1 284.404 -0.219 20 0 CBADMP CN(C)C(=O)CC[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000572159564 354888169 /nfs/dbraw/zinc/88/81/69/354888169.db2.gz RUSSKJHQTYCZLC-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000572501808 354893490 /nfs/dbraw/zinc/89/34/90/354893490.db2.gz VCRULVLIINLLKD-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000572734159 354896183 /nfs/dbraw/zinc/89/61/83/354896183.db2.gz XKFATFOLOLVPFR-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000573075194 354903993 /nfs/dbraw/zinc/90/39/93/354903993.db2.gz NDOFPTVPUAOSIZ-QWHCGFSZSA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000573218821 354907566 /nfs/dbraw/zinc/90/75/66/354907566.db2.gz PWLKDMBPSHFVBC-WOPDTQHZSA-N 2 1 255.362 -0.539 20 0 CBADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000573248729 354909407 /nfs/dbraw/zinc/90/94/07/354909407.db2.gz GLHNWZBGPQKABF-KGLIPLIRSA-N 3 1 252.406 -0.035 20 0 CBADMP C([C@@H]1CCC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000573248729 354909409 /nfs/dbraw/zinc/90/94/09/354909409.db2.gz GLHNWZBGPQKABF-KGLIPLIRSA-N 2 1 252.406 -0.035 20 0 CBADMP C[NH2+]CCC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000573564216 354915055 /nfs/dbraw/zinc/91/50/55/354915055.db2.gz ADHQPWWWCMLLQM-GFCCVEGCSA-N 3 1 252.366 -0.017 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000571778484 354880061 /nfs/dbraw/zinc/88/00/61/354880061.db2.gz LBJSBZXKNYVRHB-WCQYABFASA-N 2 1 292.387 -0.207 20 0 CBADMP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)CN1CCOCC1 ZINC000574191821 354930297 /nfs/dbraw/zinc/93/02/97/354930297.db2.gz IXMPADNZMJENTL-HIFRSBDPSA-N 2 1 285.432 -0.001 20 0 CBADMP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)CN1CCOCC1 ZINC000574191821 354930302 /nfs/dbraw/zinc/93/03/02/354930302.db2.gz IXMPADNZMJENTL-HIFRSBDPSA-N 2 1 285.432 -0.001 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000575192816 354934145 /nfs/dbraw/zinc/93/41/45/354934145.db2.gz OJBMHHDTFSIYBX-FRRDWIJNSA-N 2 1 287.404 -0.441 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000575192816 354934147 /nfs/dbraw/zinc/93/41/47/354934147.db2.gz OJBMHHDTFSIYBX-FRRDWIJNSA-N 2 1 287.404 -0.441 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000575192818 354934385 /nfs/dbraw/zinc/93/43/85/354934385.db2.gz OJBMHHDTFSIYBX-UPJWGTAASA-N 2 1 287.404 -0.441 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000575192818 354934387 /nfs/dbraw/zinc/93/43/87/354934387.db2.gz OJBMHHDTFSIYBX-UPJWGTAASA-N 2 1 287.404 -0.441 20 0 CBADMP CN(C)c1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc[nH+]1 ZINC000578206354 354940728 /nfs/dbraw/zinc/94/07/28/354940728.db2.gz PTJZTHHHPQMYRO-UWVGGRQHSA-N 2 1 276.344 -0.709 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)COC2C[NH2+]C2)C1 ZINC000578627950 354950557 /nfs/dbraw/zinc/95/05/57/354950557.db2.gz SRYNVPNWEBBSND-DGCLKSJQSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)C1=CC[N@@H+](C)CC1 ZINC000578670475 354952589 /nfs/dbraw/zinc/95/25/89/354952589.db2.gz ARZVQZJFTMOBER-JQWIXIFHSA-N 2 1 280.372 -0.769 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000580952119 355002533 /nfs/dbraw/zinc/00/25/33/355002533.db2.gz ISWMRTBBJZJNMR-LLVKDONJSA-N 2 1 263.407 -0.014 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000580952119 355002535 /nfs/dbraw/zinc/00/25/35/355002535.db2.gz ISWMRTBBJZJNMR-LLVKDONJSA-N 2 1 263.407 -0.014 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000579371767 354969113 /nfs/dbraw/zinc/96/91/13/354969113.db2.gz XFDWSFJIRJTYGJ-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)n1 ZINC000579373085 354969485 /nfs/dbraw/zinc/96/94/85/354969485.db2.gz WNESKQWNPFEANQ-CQSZACIVSA-N 2 1 295.387 -0.759 20 0 CBADMP 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 354980066 /nfs/dbraw/zinc/98/00/66/354980066.db2.gz MZKDOZOUTTZUQW-RSLMWUCJSA-N 2 1 294.399 -0.609 20 0 CBADMP 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 354980419 /nfs/dbraw/zinc/98/04/19/354980419.db2.gz MZKDOZOUTTZUQW-LYIQGSDWSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000579857984 354982232 /nfs/dbraw/zinc/98/22/32/354982232.db2.gz NTIZNXZXQFNIKK-GHMZBOCLSA-N 2 1 295.387 -0.229 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C)[NH+](C)C[C@H]1C ZINC000579968468 354985349 /nfs/dbraw/zinc/98/53/49/354985349.db2.gz AJUCQXHJSJNKRL-MJBXVCDLSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000579968468 354985352 /nfs/dbraw/zinc/98/53/52/354985352.db2.gz AJUCQXHJSJNKRL-MJBXVCDLSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000579968468 354985353 /nfs/dbraw/zinc/98/53/53/354985353.db2.gz AJUCQXHJSJNKRL-MJBXVCDLSA-N 2 1 273.421 -0.050 20 0 CBADMP CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H](C[NH3+])C1 ZINC000580299705 354991774 /nfs/dbraw/zinc/99/17/74/354991774.db2.gz DHRGMMDAFRKWAC-MJBXVCDLSA-N 2 1 295.431 -0.103 20 0 CBADMP CC(C)OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000580715240 354996683 /nfs/dbraw/zinc/99/66/83/354996683.db2.gz UIFYMGZTWVVWNU-OLZOCXBDSA-N 2 1 260.378 -0.181 20 0 CBADMP CC(C)OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000580715242 354996733 /nfs/dbraw/zinc/99/67/33/354996733.db2.gz UIFYMGZTWVVWNU-STQMWFEESA-N 2 1 260.378 -0.181 20 0 CBADMP [NH3+]CCOCC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000580715031 354996924 /nfs/dbraw/zinc/99/69/24/354996924.db2.gz WODQBTVBCGGTHF-GFCCVEGCSA-N 3 1 257.378 -0.351 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CC1(CC(N)=O)CC1)C1CC1 ZINC000580887862 355000943 /nfs/dbraw/zinc/00/09/43/355000943.db2.gz DHEHUURKJNFEPY-LLVKDONJSA-N 2 1 255.362 -0.313 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(CC(N)=O)CC1)C1CC1 ZINC000580887862 355000946 /nfs/dbraw/zinc/00/09/46/355000946.db2.gz DHEHUURKJNFEPY-LLVKDONJSA-N 2 1 255.362 -0.313 20 0 CBADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CNC(=O)C[NH3+] ZINC000584779116 355037814 /nfs/dbraw/zinc/03/78/14/355037814.db2.gz SPNACWBOYNNEJD-JTQLQIEISA-N 2 1 258.366 -0.702 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1cnn(C)c1 ZINC000581251913 355004292 /nfs/dbraw/zinc/00/42/92/355004292.db2.gz FAGKNCZQBMNFMS-YWVKMMECSA-N 2 1 253.350 -0.077 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000581440864 355005339 /nfs/dbraw/zinc/00/53/39/355005339.db2.gz UKNWYRQCMLBFAN-JTQLQIEISA-N 2 1 268.361 -0.854 20 0 CBADMP CN(C(=O)NCCC(=O)N1CC[NH+](C)CC1)C1CC([NH3+])C1 ZINC000582230332 355010212 /nfs/dbraw/zinc/01/02/12/355010212.db2.gz GLGCXGXVVXPPGX-UHFFFAOYSA-N 2 1 297.403 -0.718 20 0 CBADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]21 ZINC000375018752 283071343 /nfs/dbraw/zinc/07/13/43/283071343.db2.gz JYHCRYYAKFTAJK-UPJWGTAASA-N 2 1 267.373 -0.130 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]21 ZINC000375018752 283071344 /nfs/dbraw/zinc/07/13/44/283071344.db2.gz JYHCRYYAKFTAJK-UPJWGTAASA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC000375018752 283071345 /nfs/dbraw/zinc/07/13/45/283071345.db2.gz JYHCRYYAKFTAJK-UPJWGTAASA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC000375018752 283071346 /nfs/dbraw/zinc/07/13/46/283071346.db2.gz JYHCRYYAKFTAJK-UPJWGTAASA-N 2 1 267.373 -0.130 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000583500317 355018181 /nfs/dbraw/zinc/01/81/81/355018181.db2.gz SZTNPFRYJUWVBV-HBNTYKKESA-N 2 1 282.388 -0.419 20 0 CBADMP CCC[NH2+][C@@H](C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000583992353 355026485 /nfs/dbraw/zinc/02/64/85/355026485.db2.gz GJDLEHJXIWNEMC-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000583997106 355027389 /nfs/dbraw/zinc/02/73/89/355027389.db2.gz UDLBHSADFDSIOE-RYUDHWBXSA-N 2 1 256.394 -0.134 20 0 CBADMP C[C@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)N1CC[NH+](C)CC1 ZINC000586754175 355052620 /nfs/dbraw/zinc/05/26/20/355052620.db2.gz WIGHRQCWZQTJNR-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)N1CC[NH+](C)CC1 ZINC000586754175 355052622 /nfs/dbraw/zinc/05/26/22/355052622.db2.gz WIGHRQCWZQTJNR-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP CSC[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000591734984 355112510 /nfs/dbraw/zinc/11/25/10/355112510.db2.gz FYAOQXGFEHITEZ-NWDGAFQWSA-N 2 1 289.445 -0.113 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000591361322 355094239 /nfs/dbraw/zinc/09/42/39/355094239.db2.gz UCMXCQDGSIVYHY-MNOVXSKESA-N 2 1 286.376 -0.388 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000591361322 355094243 /nfs/dbraw/zinc/09/42/43/355094243.db2.gz UCMXCQDGSIVYHY-MNOVXSKESA-N 2 1 286.376 -0.388 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000592561614 355164529 /nfs/dbraw/zinc/16/45/29/355164529.db2.gz FYGPLGTULSVKNS-NMKXLXIOSA-N 2 1 295.383 -0.452 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H](C)C1 ZINC000592564485 355165611 /nfs/dbraw/zinc/16/56/11/355165611.db2.gz LYMFRDRKYPIASC-NMKXLXIOSA-N 2 1 295.383 -0.452 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H](C)C1 ZINC000592564485 355165613 /nfs/dbraw/zinc/16/56/13/355165613.db2.gz LYMFRDRKYPIASC-NMKXLXIOSA-N 2 1 295.383 -0.452 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000592047607 355128964 /nfs/dbraw/zinc/12/89/64/355128964.db2.gz ODTWNKSGMIAKMU-VHSXEESVSA-N 2 1 257.334 -0.523 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000592135923 355133641 /nfs/dbraw/zinc/13/36/41/355133641.db2.gz YKNUGSXOLJMUBO-NWDGAFQWSA-N 2 1 283.372 -0.133 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000592197190 355140257 /nfs/dbraw/zinc/14/02/57/355140257.db2.gz CGUFBVPBMXRJNB-NSHDSACASA-N 2 1 287.360 -0.943 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000592212365 355144549 /nfs/dbraw/zinc/14/45/49/355144549.db2.gz SUNDOONSRIGHBR-JTQLQIEISA-N 2 1 280.328 -0.028 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)COCC[NH3+])[C@H](C)C1 ZINC000592277472 355146307 /nfs/dbraw/zinc/14/63/07/355146307.db2.gz VVRXYQHVIFKFDF-LLVKDONJSA-N 2 1 287.360 -0.943 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)COCC[NH3+])[C@H](C)C1 ZINC000592277472 355146310 /nfs/dbraw/zinc/14/63/10/355146310.db2.gz VVRXYQHVIFKFDF-LLVKDONJSA-N 2 1 287.360 -0.943 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000592418992 355152641 /nfs/dbraw/zinc/15/26/41/355152641.db2.gz ATCXAUSJAWMKNQ-MJBXVCDLSA-N 2 1 281.400 -0.004 20 0 CBADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]CCC(=O)NC(N)=O ZINC000592431645 355153922 /nfs/dbraw/zinc/15/39/22/355153922.db2.gz VBECLLWMEDGRLU-JTQLQIEISA-N 2 1 274.365 -0.746 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592489091 355157109 /nfs/dbraw/zinc/15/71/09/355157109.db2.gz GSEMNLKPMRNYEZ-GFCCVEGCSA-N 2 1 254.334 -0.353 20 0 CBADMP COC(=O)[C@H]1C[NH2+]CCCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000592486435 355157260 /nfs/dbraw/zinc/15/72/60/355157260.db2.gz DQLVBFQYSDCGHA-HZSPNIEDSA-N 2 1 297.399 -0.314 20 0 CBADMP COC(=O)[C@H]1C[NH2+]CCCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000592486435 355157262 /nfs/dbraw/zinc/15/72/62/355157262.db2.gz DQLVBFQYSDCGHA-HZSPNIEDSA-N 2 1 297.399 -0.314 20 0 CBADMP NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593728677 355217084 /nfs/dbraw/zinc/21/70/84/355217084.db2.gz CHUGURCVTJGPRM-AXFHLTTASA-N 2 1 284.360 -0.458 20 0 CBADMP COCC(C)(C)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594739790 355260509 /nfs/dbraw/zinc/26/05/09/355260509.db2.gz VEYLPKGODFFZFS-WDEREUQCSA-N 2 1 255.362 -0.097 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000594918921 355268749 /nfs/dbraw/zinc/26/87/49/355268749.db2.gz CEOFLAWTDMNJJA-YNEHKIRRSA-N 2 1 297.399 -0.062 20 0 CBADMP COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000595892804 355314371 /nfs/dbraw/zinc/31/43/71/355314371.db2.gz NYXAMXNCFOEBTD-NEPJUHHUSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000595895747 355315191 /nfs/dbraw/zinc/31/51/91/355315191.db2.gz UKBZZVPXWRVOQM-BXUZGUMPSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000595895747 355315196 /nfs/dbraw/zinc/31/51/96/355315196.db2.gz UKBZZVPXWRVOQM-BXUZGUMPSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000595894978 355315456 /nfs/dbraw/zinc/31/54/56/355315456.db2.gz ZTEQTKJEGYCKPE-QWRGUYRKSA-N 2 1 269.345 -0.569 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000595894978 355315460 /nfs/dbraw/zinc/31/54/60/355315460.db2.gz ZTEQTKJEGYCKPE-QWRGUYRKSA-N 2 1 269.345 -0.569 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000332713218 283095476 /nfs/dbraw/zinc/09/54/76/283095476.db2.gz LRJIQRJIZOYVBP-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000595294264 355279310 /nfs/dbraw/zinc/27/93/10/355279310.db2.gz YHNUIZXMFHTVAY-TUAOUCFPSA-N 2 1 281.356 -0.698 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424171765 283098427 /nfs/dbraw/zinc/09/84/27/283098427.db2.gz JKYOEAKKCKRVSX-JHJVBQTASA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000596106136 355344213 /nfs/dbraw/zinc/34/42/13/355344213.db2.gz PQPNPZLXTRWLCL-FVCCEPFGSA-N 3 1 266.389 -0.524 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000598680454 355450004 /nfs/dbraw/zinc/45/00/04/355450004.db2.gz BXJQKRVAHCETPT-HUBLWGQQSA-N 2 1 295.383 -0.036 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000598680454 355450005 /nfs/dbraw/zinc/45/00/05/355450005.db2.gz BXJQKRVAHCETPT-HUBLWGQQSA-N 2 1 295.383 -0.036 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327658 355586454 /nfs/dbraw/zinc/58/64/54/355586454.db2.gz YFPJJIKKSGJSMA-NXEZZACHSA-N 2 1 257.334 -0.808 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327658 355586457 /nfs/dbraw/zinc/58/64/57/355586457.db2.gz YFPJJIKKSGJSMA-NXEZZACHSA-N 2 1 257.334 -0.808 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000600731154 355563149 /nfs/dbraw/zinc/56/31/49/355563149.db2.gz OXCCWXYPTYJZPD-NEPJUHHUSA-N 2 1 299.371 -0.929 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000600731154 355563153 /nfs/dbraw/zinc/56/31/53/355563153.db2.gz OXCCWXYPTYJZPD-NEPJUHHUSA-N 2 1 299.371 -0.929 20 0 CBADMP CCCNC(=O)NC(=O)C[N@H+](C)CCOCC[NH2+]C ZINC000600731452 355564019 /nfs/dbraw/zinc/56/40/19/355564019.db2.gz RMAXUINPRQPXTE-UHFFFAOYSA-N 2 1 274.365 -0.610 20 0 CBADMP CCCNC(=O)NC(=O)C[N@@H+](C)CCOCC[NH2+]C ZINC000600731452 355564023 /nfs/dbraw/zinc/56/40/23/355564023.db2.gz RMAXUINPRQPXTE-UHFFFAOYSA-N 2 1 274.365 -0.610 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@@H+](C)CCOCC[NH3+])C1=O ZINC000600742485 355564210 /nfs/dbraw/zinc/56/42/10/355564210.db2.gz WGGZHQMLWOQPSB-NSHDSACASA-N 2 1 287.360 -0.943 20 0 CBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCOCC[NH3+] ZINC000600735361 355564425 /nfs/dbraw/zinc/56/44/25/355564425.db2.gz MHMZCYPBVFCCPY-SECBINFHSA-N 2 1 272.349 -0.730 20 0 CBADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000600942486 355571469 /nfs/dbraw/zinc/57/14/69/355571469.db2.gz IUFPZQDCMAIBAR-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP COCC[N@@H+]1CC[C@@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000601006506 355576202 /nfs/dbraw/zinc/57/62/02/355576202.db2.gz BSSYFFJHCDDHCA-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000601006506 355576204 /nfs/dbraw/zinc/57/62/04/355576204.db2.gz BSSYFFJHCDDHCA-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602472676 355652369 /nfs/dbraw/zinc/65/23/69/355652369.db2.gz JMOVLDQZHBDGHU-LJQANCHMSA-N 2 1 289.445 -0.057 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000602523733 355657632 /nfs/dbraw/zinc/65/76/32/355657632.db2.gz HOMLNXIZMNOHKD-GRYCIOLGSA-N 2 1 280.372 -0.901 20 0 CBADMP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602020697 355625947 /nfs/dbraw/zinc/62/59/47/355625947.db2.gz MHODUZKBPOWDEQ-HJWVFBQESA-N 2 1 283.372 -0.075 20 0 CBADMP CC[N@@H+](C)C[C@H](O)Cn1cc(CSCC[NH3+])nn1 ZINC000603262491 355701807 /nfs/dbraw/zinc/70/18/07/355701807.db2.gz WLLQPTKTDVTWFR-NSHDSACASA-N 2 1 273.406 -0.217 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603431654 355715372 /nfs/dbraw/zinc/71/53/72/355715372.db2.gz FWPUXDQVVNNEFO-DJLDLDEBSA-N 2 1 256.350 -0.064 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000603431653 355715469 /nfs/dbraw/zinc/71/54/69/355715469.db2.gz FWPUXDQVVNNEFO-CIUDSAMLSA-N 2 1 256.350 -0.064 20 0 CBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602875809 355679441 /nfs/dbraw/zinc/67/94/41/355679441.db2.gz APULOSVSEOICSQ-JTQLQIEISA-N 2 1 268.361 -0.013 20 0 CBADMP CC(CN1C[C@H]2C[NH2+]C[C@H]2C1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000605575565 355735836 /nfs/dbraw/zinc/73/58/36/355735836.db2.gz HNROONTYVKQOMT-GEEKYZPCSA-N 4 1 278.444 -0.075 20 0 CBADMP C[C@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000605575569 355735876 /nfs/dbraw/zinc/73/58/76/355735876.db2.gz HNROONTYVKQOMT-QMHWVQJVSA-N 4 1 278.444 -0.075 20 0 CBADMP C[C@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000605575569 355735878 /nfs/dbraw/zinc/73/58/78/355735878.db2.gz HNROONTYVKQOMT-QMHWVQJVSA-N 2 1 278.444 -0.075 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000606371342 355739509 /nfs/dbraw/zinc/73/95/09/355739509.db2.gz MVZYJRXLTFKTSJ-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000606371342 355739511 /nfs/dbraw/zinc/73/95/11/355739511.db2.gz MVZYJRXLTFKTSJ-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000604751986 355728636 /nfs/dbraw/zinc/72/86/36/355728636.db2.gz MMFDJQMKKFFHRL-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000604751986 355728639 /nfs/dbraw/zinc/72/86/39/355728639.db2.gz MMFDJQMKKFFHRL-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000604751986 355728641 /nfs/dbraw/zinc/72/86/41/355728641.db2.gz MMFDJQMKKFFHRL-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000604751986 355728643 /nfs/dbraw/zinc/72/86/43/355728643.db2.gz MMFDJQMKKFFHRL-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000612887599 355855077 /nfs/dbraw/zinc/85/50/77/355855077.db2.gz QREZKGDAPIXEDN-HIFRSBDPSA-N 2 1 297.447 -0.079 20 0 CBADMP C[C@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC000612898669 355855550 /nfs/dbraw/zinc/85/55/50/355855550.db2.gz ZDMMQLZFZBUHTF-GVXVVHGQSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000612898669 355855554 /nfs/dbraw/zinc/85/55/54/355855554.db2.gz ZDMMQLZFZBUHTF-GVXVVHGQSA-N 2 1 270.377 -0.243 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612979883 355858634 /nfs/dbraw/zinc/85/86/34/355858634.db2.gz KGQPABIKCCKETF-LBPRGKRZSA-N 2 1 284.404 -0.258 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC3(C[NH+](C)C3)C2)C1 ZINC000614039206 355928287 /nfs/dbraw/zinc/92/82/87/355928287.db2.gz QSTMSHNVRQUACO-LBPRGKRZSA-N 2 1 267.373 -0.129 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC3(C[NH+](C)C3)C2)C1 ZINC000614039206 355928291 /nfs/dbraw/zinc/92/82/91/355928291.db2.gz QSTMSHNVRQUACO-LBPRGKRZSA-N 2 1 267.373 -0.129 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000614067328 355932563 /nfs/dbraw/zinc/93/25/63/355932563.db2.gz FOIMYMYMBFJENM-HNNXBMFYSA-N 2 1 298.431 -0.851 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000614068038 355933312 /nfs/dbraw/zinc/93/33/12/355933312.db2.gz KRVXDWUPKNUVAE-UKRRQHHQSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000614068038 355933315 /nfs/dbraw/zinc/93/33/15/355933315.db2.gz KRVXDWUPKNUVAE-UKRRQHHQSA-N 2 1 299.415 -0.378 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614854794 355992565 /nfs/dbraw/zinc/99/25/65/355992565.db2.gz SJYICNHTJBHCSB-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000614506872 355965195 /nfs/dbraw/zinc/96/51/95/355965195.db2.gz JYAWMFGTFXCUGL-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614506872 355965201 /nfs/dbraw/zinc/96/52/01/355965201.db2.gz JYAWMFGTFXCUGL-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614506872 355965205 /nfs/dbraw/zinc/96/52/05/355965205.db2.gz JYAWMFGTFXCUGL-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP C[C@@H](C(=O)N1CC(C[NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000615510803 356037415 /nfs/dbraw/zinc/03/74/15/356037415.db2.gz XKPYHKPIIDXANS-LBPRGKRZSA-N 2 1 268.405 -0.358 20 0 CBADMP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000618191897 356179358 /nfs/dbraw/zinc/17/93/58/356179358.db2.gz WMUJNWUOOIPJCM-ZDUSSCGKSA-N 2 1 266.389 -0.604 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCNC(N)=O ZINC000617504211 356139135 /nfs/dbraw/zinc/13/91/35/356139135.db2.gz LAVDYWHELBEDIZ-NSHDSACASA-N 2 1 287.408 -0.567 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCNC(N)=O ZINC000617504211 356139137 /nfs/dbraw/zinc/13/91/37/356139137.db2.gz LAVDYWHELBEDIZ-NSHDSACASA-N 2 1 287.408 -0.567 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCNC(=O)C1 ZINC000617506516 356139711 /nfs/dbraw/zinc/13/97/11/356139711.db2.gz QGXAJPKBFYTNHQ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCNC(=O)C1 ZINC000617506516 356139713 /nfs/dbraw/zinc/13/97/13/356139713.db2.gz QGXAJPKBFYTNHQ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)CC(N)=O ZINC000617508231 356140882 /nfs/dbraw/zinc/14/08/82/356140882.db2.gz YUPYTECDWOIJJK-RYUDHWBXSA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)CC(N)=O ZINC000617508231 356140886 /nfs/dbraw/zinc/14/08/86/356140886.db2.gz YUPYTECDWOIJJK-RYUDHWBXSA-N 2 1 286.420 -0.114 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000619898075 356231236 /nfs/dbraw/zinc/23/12/36/356231236.db2.gz QFRSMCCAHRWQOY-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000619898075 356231240 /nfs/dbraw/zinc/23/12/40/356231240.db2.gz QFRSMCCAHRWQOY-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000619898075 356231242 /nfs/dbraw/zinc/23/12/42/356231242.db2.gz QFRSMCCAHRWQOY-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)[C@@H]2C1 ZINC000332291533 283144795 /nfs/dbraw/zinc/14/47/95/283144795.db2.gz TVDPMYKGDJORLF-YNEHKIRRSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@H](C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)N1CC[NH+](C)CC1 ZINC000621698807 356280975 /nfs/dbraw/zinc/28/09/75/356280975.db2.gz GGDJMGZFEVFLOC-VNHYZAJKSA-N 2 1 280.416 -0.038 20 0 CBADMP CNS(=O)(=O)CC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000621296210 356268229 /nfs/dbraw/zinc/26/82/29/356268229.db2.gz LGLCQROBDMIRAB-UHFFFAOYSA-N 2 1 294.465 -0.649 20 0 CBADMP CNS(=O)(=O)CC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000621296210 356268231 /nfs/dbraw/zinc/26/82/31/356268231.db2.gz LGLCQROBDMIRAB-UHFFFAOYSA-N 2 1 294.465 -0.649 20 0 CBADMP C[N@@H+]1CC[C@H]([NH2+]CCNS(C)(=O)=O)CC1(C)C ZINC000623379248 356363017 /nfs/dbraw/zinc/36/30/17/356363017.db2.gz FZRANHWLVRAUBH-JTQLQIEISA-N 2 1 263.407 -0.002 20 0 CBADMP C[N@H+]1CC[C@H]([NH2+]CCNS(C)(=O)=O)CC1(C)C ZINC000623379248 356363020 /nfs/dbraw/zinc/36/30/20/356363020.db2.gz FZRANHWLVRAUBH-JTQLQIEISA-N 2 1 263.407 -0.002 20 0 CBADMP C[C@H](CNc1nc(N)[nH+]c(N)n1)[N@H+]1CCC[C@H](C)C1 ZINC000623859099 356379559 /nfs/dbraw/zinc/37/95/59/356379559.db2.gz AWIDDDXDAGICBR-DTWKUNHWSA-N 2 1 265.365 -0.349 20 0 CBADMP C[C@H]1C[C@H](C)C[NH+](CCCNc2nc(N)nc(N)[nH+]2)C1 ZINC000623864307 356380304 /nfs/dbraw/zinc/38/03/04/356380304.db2.gz LNQJOQWJZBPNNV-UWVGGRQHSA-N 2 1 279.392 -0.101 20 0 CBADMP C[C@H](CNc1nc(N)nc(N)[nH+]1)C[NH+]1CCCC1 ZINC000623875581 356380636 /nfs/dbraw/zinc/38/06/36/356380636.db2.gz OSLURQOCRKTHTF-MRVPVSSYSA-N 2 1 251.338 -0.738 20 0 CBADMP CC[N@H+]1CCC[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623908437 356381260 /nfs/dbraw/zinc/38/12/60/356381260.db2.gz BHXLNPBRHGVJJI-QMMMGPOBSA-N 2 1 251.338 -0.738 20 0 CBADMP CC[N@@H+]1CCC[C@@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623908437 356381262 /nfs/dbraw/zinc/38/12/62/356381262.db2.gz BHXLNPBRHGVJJI-QMMMGPOBSA-N 2 1 251.338 -0.738 20 0 CBADMP CC[N@H+]1CCC[C@@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623908437 356381266 /nfs/dbraw/zinc/38/12/66/356381266.db2.gz BHXLNPBRHGVJJI-QMMMGPOBSA-N 2 1 251.338 -0.738 20 0 CBADMP C[C@@H](Nc1nc(N)nc(N)[nH+]1)C1CC[NH+](C)CC1 ZINC000623969906 356385020 /nfs/dbraw/zinc/38/50/20/356385020.db2.gz YHQSEUVPHPNFSK-SSDOTTSWSA-N 2 1 251.338 -0.739 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)c2nc(N)[nH+]c(N)n2)[C@H](C)C1 ZINC000623991417 356387333 /nfs/dbraw/zinc/38/73/33/356387333.db2.gz HCAOEBNALRBSSK-RKDXNWHRSA-N 2 1 265.365 -0.137 20 0 CBADMP CC[NH+](CC)CCO[C@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624014041 356389193 /nfs/dbraw/zinc/38/91/93/356389193.db2.gz PUPHLUYVZBDSCB-JTQLQIEISA-N 2 1 295.391 -0.366 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624032599 356390352 /nfs/dbraw/zinc/39/03/52/356390352.db2.gz RTAMIJAGJKMXOH-VIFPVBQESA-N 2 1 265.365 -0.492 20 0 CBADMP CC(C)C[N@@H+]1CC[C@@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624032599 356390353 /nfs/dbraw/zinc/39/03/53/356390353.db2.gz RTAMIJAGJKMXOH-VIFPVBQESA-N 2 1 265.365 -0.492 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624032599 356390356 /nfs/dbraw/zinc/39/03/56/356390356.db2.gz RTAMIJAGJKMXOH-VIFPVBQESA-N 2 1 265.365 -0.492 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc(N)[nH+]c(N)n1 ZINC000624026007 356391087 /nfs/dbraw/zinc/39/10/87/356391087.db2.gz XQUXRGKGVBMEAF-BDAKNGLRSA-N 2 1 263.349 -0.240 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2nc(N)[nH+]c(N)n2)C1 ZINC000624050130 356391705 /nfs/dbraw/zinc/39/17/05/356391705.db2.gz ZLKOPOHPACYNAT-IUCAKERBSA-N 2 1 263.349 -0.383 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(c3nc(N)[nH+]c(N)n3)CC[C@H]21 ZINC000624041341 356392165 /nfs/dbraw/zinc/39/21/65/356392165.db2.gz QVLGEOHPLKISNG-DTWKUNHWSA-N 2 1 263.349 -0.383 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(c2nc(N)[nH+]c(N)n2)C[C@H]1C ZINC000624075549 356395175 /nfs/dbraw/zinc/39/51/75/356395175.db2.gz KVBNESSGOJIEIC-HTQZYQBOSA-N 2 1 251.338 -0.384 20 0 CBADMP Nc1nc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)nc(N)[nH+]1 ZINC000624375462 356414952 /nfs/dbraw/zinc/41/49/52/356414952.db2.gz QQNKDVMLDVIJKJ-DTWKUNHWSA-N 2 1 263.349 -0.453 20 0 CBADMP C[N@H+]1CCC[C@H](CCNc2nc(N)[nH+]c(N)n2)C1 ZINC000624272899 356408768 /nfs/dbraw/zinc/40/87/68/356408768.db2.gz SICGEKRAJCYJKB-MRVPVSSYSA-N 2 1 251.338 -0.738 20 0 CBADMP C[N@@H+]1CCC[C@H](CCNc2nc(N)nc(N)[nH+]2)C1 ZINC000624272899 356408769 /nfs/dbraw/zinc/40/87/69/356408769.db2.gz SICGEKRAJCYJKB-MRVPVSSYSA-N 2 1 251.338 -0.738 20 0 CBADMP C[N@H+]1CCC[C@H](CCNc2nc(N)nc(N)[nH+]2)C1 ZINC000624272899 356408770 /nfs/dbraw/zinc/40/87/70/356408770.db2.gz SICGEKRAJCYJKB-MRVPVSSYSA-N 2 1 251.338 -0.738 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)CC1 ZINC000626140213 356513098 /nfs/dbraw/zinc/51/30/98/356513098.db2.gz SCZIYDCJUZKYCW-GZBFAFLISA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)CC1 ZINC000626140213 356513101 /nfs/dbraw/zinc/51/31/01/356513101.db2.gz SCZIYDCJUZKYCW-GZBFAFLISA-N 2 1 281.400 -0.004 20 0 CBADMP [NH3+]CC[C@@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000625898163 356496345 /nfs/dbraw/zinc/49/63/45/356496345.db2.gz HTCDVECYFINNIK-DTWKUNHWSA-N 2 1 298.309 -0.368 20 0 CBADMP [NH3+]CC[C@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)C(F)(F)F ZINC000625898162 356496501 /nfs/dbraw/zinc/49/65/01/356496501.db2.gz HTCDVECYFINNIK-BDAKNGLRSA-N 2 1 298.309 -0.368 20 0 CBADMP [NH3+]CC[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)C(F)(F)F ZINC000625898165 356496668 /nfs/dbraw/zinc/49/66/68/356496668.db2.gz HTCDVECYFINNIK-RKDXNWHRSA-N 2 1 298.309 -0.368 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCOCC[NH+](C)C ZINC000626374833 356527439 /nfs/dbraw/zinc/52/74/39/356527439.db2.gz OEWUZTGVNSWLIC-UHFFFAOYSA-N 2 1 254.334 -0.114 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)NCCOCCC[NH3+])C1 ZINC000626946334 356558790 /nfs/dbraw/zinc/55/87/90/356558790.db2.gz XDVRQEAABZBGAL-NSHDSACASA-N 2 1 258.366 -0.255 20 0 CBADMP [NH3+]CCCOCCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000626978209 356562558 /nfs/dbraw/zinc/56/25/58/356562558.db2.gz AJJFYSCWYUWKHR-LLVKDONJSA-N 2 1 270.377 -0.112 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626973287 356561520 /nfs/dbraw/zinc/56/15/20/356561520.db2.gz XBICIWMYYDRUMQ-NWDGAFQWSA-N 2 1 269.393 -0.717 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[NH2+]1 ZINC000626974628 356561857 /nfs/dbraw/zinc/56/18/57/356561857.db2.gz JPGIGVNINXNPEN-FRRDWIJNSA-N 2 1 283.420 -0.328 20 0 CBADMP C[NH2+]CCOCCNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000627003898 356565649 /nfs/dbraw/zinc/56/56/49/356565649.db2.gz WPUWIJSNXRVIKT-NEPJUHHUSA-N 2 1 288.392 -0.759 20 0 CBADMP C[NH2+]CCOCCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000627003898 356565654 /nfs/dbraw/zinc/56/56/54/356565654.db2.gz WPUWIJSNXRVIKT-NEPJUHHUSA-N 2 1 288.392 -0.759 20 0 CBADMP O=C(NCC[C@H]1CC[NH2+]C1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627073126 356573482 /nfs/dbraw/zinc/57/34/82/356573482.db2.gz KQBFHLNPUKWRDE-VXGBXAGGSA-N 2 1 270.377 -0.648 20 0 CBADMP O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000626983008 356563120 /nfs/dbraw/zinc/56/31/20/356563120.db2.gz YQDQVTSMUQRDEJ-STQMWFEESA-N 2 1 282.388 -0.242 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626986339 356563281 /nfs/dbraw/zinc/56/32/81/356563281.db2.gz GCKQQEDUIWQFOG-ZIAGYGMSSA-N 2 1 297.447 -0.079 20 0 CBADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000626983007 356563322 /nfs/dbraw/zinc/56/33/22/356563322.db2.gz YQDQVTSMUQRDEJ-QWHCGFSZSA-N 2 1 282.388 -0.242 20 0 CBADMP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000626982527 356563426 /nfs/dbraw/zinc/56/34/26/356563426.db2.gz KDODHRZXXWUNHT-GFCCVEGCSA-N 2 1 288.392 -0.758 20 0 CBADMP CCN(CC[NH3+])C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000626986776 356563678 /nfs/dbraw/zinc/56/36/78/356563678.db2.gz MSRMXNCMQXAHRF-ZDUSSCGKSA-N 2 1 285.436 -0.140 20 0 CBADMP C[NH2+]CCOCCNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000626994453 356564243 /nfs/dbraw/zinc/56/42/43/356564243.db2.gz DWBPEVVOSGPOSV-UHFFFAOYSA-N 2 1 298.391 -0.479 20 0 CBADMP O=C(NCC[C@@H]1CC[NH2+]C1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627073124 356573540 /nfs/dbraw/zinc/57/35/40/356573540.db2.gz KQBFHLNPUKWRDE-NWDGAFQWSA-N 2 1 270.377 -0.648 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1CCC[NH2+]C1 ZINC000627075869 356574186 /nfs/dbraw/zinc/57/41/86/356574186.db2.gz PHHBAIWFTXMBEA-QWRGUYRKSA-N 2 1 256.350 -0.896 20 0 CBADMP CCCC[C@H](C[NH3+])NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627079957 356576525 /nfs/dbraw/zinc/57/65/25/356576525.db2.gz MCMMKYPNJDCWFA-NEPJUHHUSA-N 2 1 272.393 -0.130 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC[NH2+]1 ZINC000627088487 356580890 /nfs/dbraw/zinc/58/08/90/356580890.db2.gz IONBDHMCXBJASR-SRVKXCTJSA-N 2 1 270.377 -0.507 20 0 CBADMP O=C(NCCC1=CC[NH2+]CC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627090337 356581594 /nfs/dbraw/zinc/58/15/94/356581594.db2.gz SDTHJYKXPTYQBI-ZDUSSCGKSA-N 2 1 282.388 -0.338 20 0 CBADMP C[C@@H](CCC[NH3+])NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627096635 356582706 /nfs/dbraw/zinc/58/27/06/356582706.db2.gz XPWMIVYSSOCIIG-QWRGUYRKSA-N 2 1 258.366 -0.520 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000627103057 356583396 /nfs/dbraw/zinc/58/33/96/356583396.db2.gz XWZKPBWHVCBKOJ-QJPTWQEYSA-N 2 1 270.377 -0.520 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627103450 356583496 /nfs/dbraw/zinc/58/34/96/356583496.db2.gz SDFGPGQJYUCBEL-VXGBXAGGSA-N 2 1 270.377 -0.242 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627108060 356584292 /nfs/dbraw/zinc/58/42/92/356584292.db2.gz PVDZKIGAWHAZGF-HBNTYKKESA-N 2 1 258.366 -0.522 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627237082 356609429 /nfs/dbraw/zinc/60/94/29/356609429.db2.gz CAZLIANVXKZVQV-NWDGAFQWSA-N 2 1 270.377 -0.290 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000627259137 356615774 /nfs/dbraw/zinc/61/57/74/356615774.db2.gz NNMPTVDLKCZYEE-RWMBFGLXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627259137 356615779 /nfs/dbraw/zinc/61/57/79/356615779.db2.gz NNMPTVDLKCZYEE-RWMBFGLXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627259137 356615782 /nfs/dbraw/zinc/61/57/82/356615782.db2.gz NNMPTVDLKCZYEE-RWMBFGLXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000627349565 356630405 /nfs/dbraw/zinc/63/04/05/356630405.db2.gz RNMUARUDDYYJMU-HBNTYKKESA-N 2 1 280.372 -0.794 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000627349492 356630830 /nfs/dbraw/zinc/63/08/30/356630830.db2.gz PLRCRSVTTIZWNH-QWRGUYRKSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627349709 356631006 /nfs/dbraw/zinc/63/10/06/356631006.db2.gz WTONFCMSXDFDTO-HOSYDEDBSA-N 2 1 280.372 -0.937 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C1CC1 ZINC000627365186 356632757 /nfs/dbraw/zinc/63/27/57/356632757.db2.gz IEFJKCVIOKBNEQ-CMPLNLGQSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[C@H](C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1)[NH+](C)C ZINC000627260508 356616511 /nfs/dbraw/zinc/61/65/11/356616511.db2.gz JSJDWLLVTVFQOS-FRRDWIJNSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000627266795 356617938 /nfs/dbraw/zinc/61/79/38/356617938.db2.gz FWXXBHFQLYGCCQ-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000627266795 356617941 /nfs/dbraw/zinc/61/79/41/356617941.db2.gz FWXXBHFQLYGCCQ-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000627266795 356617945 /nfs/dbraw/zinc/61/79/45/356617945.db2.gz FWXXBHFQLYGCCQ-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[N@@H+](C)C1CC1 ZINC000627372906 356635285 /nfs/dbraw/zinc/63/52/85/356635285.db2.gz ZUZXZMBYYKIXIR-IJLUTSLNSA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000627377150 356635320 /nfs/dbraw/zinc/63/53/20/356635320.db2.gz ZZGOEMNPXCFVLI-GMXVVIOVSA-N 2 1 294.399 -0.380 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[N@@H+](C)C1CC1 ZINC000627372905 356635338 /nfs/dbraw/zinc/63/53/38/356635338.db2.gz ZUZXZMBYYKIXIR-GRYCIOLGSA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000627319388 356625599 /nfs/dbraw/zinc/62/55/99/356625599.db2.gz RHNLKGXZPBFDRD-GXSJLCMTSA-N 2 1 268.361 -0.937 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[NH2+]1 ZINC000627325455 356626529 /nfs/dbraw/zinc/62/65/29/356626529.db2.gz KPLYJAQLZBWJRB-UTUOFQBUSA-N 2 1 294.399 -0.404 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627346260 356629942 /nfs/dbraw/zinc/62/99/42/356629942.db2.gz KJCWZUDQZOIOLI-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627423502 356643997 /nfs/dbraw/zinc/64/39/97/356643997.db2.gz OTIPJCWHIVIYNH-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000627398424 356638680 /nfs/dbraw/zinc/63/86/80/356638680.db2.gz MRSFTPDYVWVCDQ-QNWHQSFQSA-N 2 1 294.399 -0.404 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000627398679 356638895 /nfs/dbraw/zinc/63/88/95/356638895.db2.gz TWANVDXTVMUFGA-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627504051 356660225 /nfs/dbraw/zinc/66/02/25/356660225.db2.gz RUUCOIJOHTVNJN-NEPJUHHUSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506158 356661151 /nfs/dbraw/zinc/66/11/51/356661151.db2.gz BXDFIQMXMBUQNG-GHMZBOCLSA-N 2 1 268.361 -0.935 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627484270 356655293 /nfs/dbraw/zinc/65/52/93/356655293.db2.gz VELBKBBGLCUGSA-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000627499245 356658074 /nfs/dbraw/zinc/65/80/74/356658074.db2.gz DUDSENBYVZSCMG-LOWDOPEQSA-N 2 1 294.399 -0.594 20 0 CBADMP 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 356659406 /nfs/dbraw/zinc/65/94/06/356659406.db2.gz RXDLVGDSVNYBSD-WUHRBBMRSA-N 2 1 296.415 -0.206 20 0 CBADMP OCC[NH+](CCO)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000628370320 356695647 /nfs/dbraw/zinc/69/56/47/356695647.db2.gz JEDXBWWOIZRHIB-CQSZACIVSA-N 2 1 272.389 -0.084 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000628081770 356686449 /nfs/dbraw/zinc/68/64/49/356686449.db2.gz BXORGBFHCHYSAA-UHFFFAOYSA-N 2 1 295.387 -0.330 20 0 CBADMP NC(=O)C[C@@H]1C[N@H+]([C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000629545432 356778445 /nfs/dbraw/zinc/77/84/45/356778445.db2.gz MIDTZDUSIWXCFA-FDYHWXHSSA-N 2 1 267.373 -0.049 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC000629167100 356749920 /nfs/dbraw/zinc/74/99/20/356749920.db2.gz OAAAWECOLXPBJQ-GFCCVEGCSA-N 2 1 295.387 -0.759 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000629571790 356780521 /nfs/dbraw/zinc/78/05/21/356780521.db2.gz QRCKSKUZWZOLFY-UHFFFAOYSA-N 2 1 286.376 -0.515 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629570889 356780740 /nfs/dbraw/zinc/78/07/40/356780740.db2.gz DJCSUWOTYOUDHZ-LBPRGKRZSA-N 3 1 257.378 -0.325 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000629567038 356780837 /nfs/dbraw/zinc/78/08/37/356780837.db2.gz MQDSHXPNZSFMPN-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000629566417 356780902 /nfs/dbraw/zinc/78/09/02/356780902.db2.gz KEZPHSSNFRLBRN-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000629566417 356780903 /nfs/dbraw/zinc/78/09/03/356780903.db2.gz KEZPHSSNFRLBRN-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@H]1CC[NH2+]C[C@@H]1NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629515697 356775803 /nfs/dbraw/zinc/77/58/03/356775803.db2.gz UJOJDUJXWUVCEB-AVGNSLFASA-N 2 1 268.405 -0.086 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000629797140 356794772 /nfs/dbraw/zinc/79/47/72/356794772.db2.gz OISUJNILGMXHNY-UHFFFAOYSA-N 2 1 282.388 -0.510 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000629799491 356795171 /nfs/dbraw/zinc/79/51/71/356795171.db2.gz HNGBRIPIHSNFLM-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000629797956 356795546 /nfs/dbraw/zinc/79/55/46/356795546.db2.gz GXJZCILIDCGINO-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CC)CC2 ZINC000629803602 356796321 /nfs/dbraw/zinc/79/63/21/356796321.db2.gz UMFJLDHOKQFIPI-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[NH+]1CCN(CCC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000629914667 356806504 /nfs/dbraw/zinc/80/65/04/356806504.db2.gz YEEUUPPDYHFLIO-AWEZNQCLSA-N 2 1 298.431 -0.803 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000629914667 356806508 /nfs/dbraw/zinc/80/65/08/356806508.db2.gz YEEUUPPDYHFLIO-AWEZNQCLSA-N 2 1 298.431 -0.803 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000629914667 356806511 /nfs/dbraw/zinc/80/65/11/356806511.db2.gz YEEUUPPDYHFLIO-AWEZNQCLSA-N 2 1 298.431 -0.803 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)n1 ZINC000629917784 356809277 /nfs/dbraw/zinc/80/92/77/356809277.db2.gz OAAAWECOLXPBJQ-LBPRGKRZSA-N 2 1 295.387 -0.759 20 0 CBADMP C[N@@H+](CC(=O)N1CCN(C(C)(C)C(N)=O)CC1)C1CCC1 ZINC000629966935 356811812 /nfs/dbraw/zinc/81/18/12/356811812.db2.gz DUBCTQUDQZIZGT-UHFFFAOYSA-N 2 1 296.415 -0.121 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC000629960186 356812477 /nfs/dbraw/zinc/81/24/77/356812477.db2.gz YERMVERPGBJTPQ-ZDUSSCGKSA-N 2 1 268.405 -0.167 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)O1 ZINC000629575229 356781823 /nfs/dbraw/zinc/78/18/23/356781823.db2.gz NYSHGOUDFKOHRE-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP Cn1cc(N2CCC[C@@H]([N@H+](C)CCOCC[NH3+])C2=O)cn1 ZINC000629576508 356781850 /nfs/dbraw/zinc/78/18/50/356781850.db2.gz ADQJSLXCIIIKBE-CYBMUJFWSA-N 2 1 295.387 -0.177 20 0 CBADMP Cn1cc(N2CCC[C@@H]([N@@H+](C)CCOCC[NH3+])C2=O)cn1 ZINC000629576508 356781854 /nfs/dbraw/zinc/78/18/54/356781854.db2.gz ADQJSLXCIIIKBE-CYBMUJFWSA-N 2 1 295.387 -0.177 20 0 CBADMP Cc1cc(N2CC[C@@H]([N@H+](C)CCOCC[NH3+])C2=O)n(C)n1 ZINC000629578986 356782390 /nfs/dbraw/zinc/78/23/90/356782390.db2.gz YJRWHFPZOQGQCM-GFCCVEGCSA-N 2 1 295.387 -0.259 20 0 CBADMP Cc1cc(N2CC[C@@H]([N@@H+](C)CCOCC[NH3+])C2=O)n(C)n1 ZINC000629578986 356782394 /nfs/dbraw/zinc/78/23/94/356782394.db2.gz YJRWHFPZOQGQCM-GFCCVEGCSA-N 2 1 295.387 -0.259 20 0 CBADMP C[N@H+](CCOCC[NH3+])CC1(CS(C)(=O)=O)CC1 ZINC000629580749 356782782 /nfs/dbraw/zinc/78/27/82/356782782.db2.gz GLTRXOAGCQYNEW-UHFFFAOYSA-N 2 1 264.391 -0.282 20 0 CBADMP C[N@@H+](CCOCC[NH3+])CC1(CS(C)(=O)=O)CC1 ZINC000629580749 356782784 /nfs/dbraw/zinc/78/27/84/356782784.db2.gz GLTRXOAGCQYNEW-UHFFFAOYSA-N 2 1 264.391 -0.282 20 0 CBADMP NC(=O)C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000629584461 356783456 /nfs/dbraw/zinc/78/34/56/356783456.db2.gz VCKULBJHMRVJIR-GFCCVEGCSA-N 2 1 255.362 -0.048 20 0 CBADMP CC[N@@H+](CCO)CCNC[C@H](O)C[NH+]1CCCC1 ZINC000629583443 356783726 /nfs/dbraw/zinc/78/37/26/356783726.db2.gz DJDJPOWDSBATOK-ZDUSSCGKSA-N 2 1 259.394 -0.653 20 0 CBADMP OCCC[N@H+]1CCC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629584413 356784122 /nfs/dbraw/zinc/78/41/22/356784122.db2.gz QJERRWPHOFJNQC-LSDHHAIUSA-N 2 1 285.432 -0.121 20 0 CBADMP CN1CCOC[C@@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000629599884 356784505 /nfs/dbraw/zinc/78/45/05/356784505.db2.gz NWXDFMBMIIXSSH-QWHCGFSZSA-N 2 1 257.378 -0.638 20 0 CBADMP CN1CCOC[C@@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000629599884 356784507 /nfs/dbraw/zinc/78/45/07/356784507.db2.gz NWXDFMBMIIXSSH-QWHCGFSZSA-N 2 1 257.378 -0.638 20 0 CBADMP COC[C@]1(C)C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000629595026 356784531 /nfs/dbraw/zinc/78/45/31/356784531.db2.gz INKWFBYDZCYIEG-AWEZNQCLSA-N 2 1 285.388 -0.454 20 0 CBADMP C[N@@H+](C[C@@H](O)CNCCC[NH+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000629601246 356784932 /nfs/dbraw/zinc/78/49/32/356784932.db2.gz BESVRHGZYDEKEN-KBPBESRZSA-N 2 1 298.431 -0.629 20 0 CBADMP C[NH+](C[C@@H](O)CNCCC[N@@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000629601246 356784934 /nfs/dbraw/zinc/78/49/34/356784934.db2.gz BESVRHGZYDEKEN-KBPBESRZSA-N 2 1 298.431 -0.629 20 0 CBADMP C[NH+](C[C@@H](O)CNCCC[N@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000629601246 356784936 /nfs/dbraw/zinc/78/49/36/356784936.db2.gz BESVRHGZYDEKEN-KBPBESRZSA-N 2 1 298.431 -0.629 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000629595367 356785149 /nfs/dbraw/zinc/78/51/49/356785149.db2.gz NMAYHKQFCKAGLH-NEPJUHHUSA-N 2 1 275.418 -0.143 20 0 CBADMP C[N@@H+](C[C@H](O)CNCC[NH+]1CC[C@@H](O)C1)C1CC1 ZINC000629607372 356785896 /nfs/dbraw/zinc/78/58/96/356785896.db2.gz RWEAJSWVRXJDID-CHWSQXEVSA-N 2 1 257.378 -0.902 20 0 CBADMP C[NH+](C[C@H](O)CNCC[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000629607372 356785898 /nfs/dbraw/zinc/78/58/98/356785898.db2.gz RWEAJSWVRXJDID-CHWSQXEVSA-N 2 1 257.378 -0.902 20 0 CBADMP C[NH+](C[C@H](O)CNCC[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000629607372 356785903 /nfs/dbraw/zinc/78/59/03/356785903.db2.gz RWEAJSWVRXJDID-CHWSQXEVSA-N 2 1 257.378 -0.902 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC000631830495 356909627 /nfs/dbraw/zinc/90/96/27/356909627.db2.gz UFKCYRSEXMASNB-LLVKDONJSA-N 2 1 253.350 -0.067 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841609 356911017 /nfs/dbraw/zinc/91/10/17/356911017.db2.gz NAOOVSVVWTUGME-FDYHWXHSSA-N 2 1 296.415 -0.375 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000631902021 356917810 /nfs/dbraw/zinc/91/78/10/356917810.db2.gz RTARJRVDFOTTHH-NSHDSACASA-N 2 1 275.418 0.000 20 0 CBADMP C[C@H]1C[NH2+]CCN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631902993 356918764 /nfs/dbraw/zinc/91/87/64/356918764.db2.gz WFIMRUVBXMEASD-JTQLQIEISA-N 2 1 276.406 -0.791 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000631906463 356921107 /nfs/dbraw/zinc/92/11/07/356921107.db2.gz NBQKLAFTBSIAKI-SNVBAGLBSA-N 2 1 261.391 -0.263 20 0 CBADMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000631930812 356924812 /nfs/dbraw/zinc/92/48/12/356924812.db2.gz ZSXJRIDHSCOATD-TUAOUCFPSA-N 2 1 289.401 -0.869 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2CCC(O)(C[NH3+])CC2)CC1 ZINC000631946206 356931178 /nfs/dbraw/zinc/93/11/78/356931178.db2.gz UNXIZZMFRYTGHG-UHFFFAOYSA-N 2 1 291.417 -0.804 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000631952382 356933036 /nfs/dbraw/zinc/93/30/36/356933036.db2.gz GNLLRZJDUGMEGJ-NXEZZACHSA-N 2 1 279.381 -0.219 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000631971405 356937411 /nfs/dbraw/zinc/93/74/11/356937411.db2.gz QTIZRVLIHOPUBZ-PHIMTYICSA-N 2 1 273.402 -0.153 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631975084 356938167 /nfs/dbraw/zinc/93/81/67/356938167.db2.gz CKXLZZMDSVMWOA-VHSXEESVSA-N 2 1 261.391 -0.168 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000632360180 356977303 /nfs/dbraw/zinc/97/73/03/356977303.db2.gz RYCUXWMWHPWUEI-VXGBXAGGSA-N 2 1 275.418 -0.096 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NCC[NH+]2CCC2)cn1 ZINC000632060490 356947954 /nfs/dbraw/zinc/94/79/54/356947954.db2.gz NYHOPXOLRVBFOP-UHFFFAOYSA-N 2 1 265.361 -0.120 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632513235 356997909 /nfs/dbraw/zinc/99/79/09/356997909.db2.gz SUTYEAGIZNJOAO-UHFFFAOYSA-N 2 1 297.403 -0.511 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633080352 357040958 /nfs/dbraw/zinc/04/09/58/357040958.db2.gz OLKMLJWXSRYUMA-AVGNSLFASA-N 2 1 294.399 -0.641 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633100835 357045521 /nfs/dbraw/zinc/04/55/21/357045521.db2.gz XCTRLBKCPPUVIH-AGIUHOORSA-N 2 1 294.399 -0.641 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633107371 357047089 /nfs/dbraw/zinc/04/70/89/357047089.db2.gz PTPVMSPJROTZRH-SRVKXCTJSA-N 2 1 280.372 -0.888 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000633114942 357048625 /nfs/dbraw/zinc/04/86/25/357048625.db2.gz FAJILERLCDINRI-AGIUHOORSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000633117207 357050156 /nfs/dbraw/zinc/05/01/56/357050156.db2.gz AWHNWZOSWYDVAO-QWRGUYRKSA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000633117997 357050180 /nfs/dbraw/zinc/05/01/80/357050180.db2.gz HEBFYGFMVRZXEQ-NOOOWODRSA-N 2 1 280.372 -0.903 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000633138892 357051000 /nfs/dbraw/zinc/05/10/00/357051000.db2.gz FCYFQGIQJRTMIB-WYUUTHIRSA-N 2 1 282.388 -0.515 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000633138892 357051003 /nfs/dbraw/zinc/05/10/03/357051003.db2.gz FCYFQGIQJRTMIB-WYUUTHIRSA-N 2 1 282.388 -0.515 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000633148281 357052703 /nfs/dbraw/zinc/05/27/03/357052703.db2.gz UNAXUDOONSPSEF-NWDGAFQWSA-N 2 1 294.399 -0.369 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000633150580 357052945 /nfs/dbraw/zinc/05/29/45/357052945.db2.gz ZWRAWSADCBQMAP-AVGNSLFASA-N 2 1 296.415 -0.265 20 0 CBADMP O=C1C[NH2+]CCN1[C@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634994235 357142308 /nfs/dbraw/zinc/14/23/08/357142308.db2.gz WJAHIUXUMUWQSF-OWYJLGKBSA-N 2 1 278.400 -0.365 20 0 CBADMP C[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[NH+](C)C ZINC000635472648 357166852 /nfs/dbraw/zinc/16/68/52/357166852.db2.gz GJTNZOIVKWWAOR-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@](O)(C[C@H](O)C[NH2+]C1CC[NH+](CCO)CC1)C1CC1 ZINC000634645562 357124957 /nfs/dbraw/zinc/12/49/57/357124957.db2.gz OXVBKZKYKKTSSE-LSDHHAIUSA-N 2 1 286.416 -0.055 20 0 CBADMP C[C@](O)(C[C@H](O)C[NH2+]C1CC[NH+](CCO)CC1)C1CC1 ZINC000634645560 357124990 /nfs/dbraw/zinc/12/49/90/357124990.db2.gz OXVBKZKYKKTSSE-GJZGRUSLSA-N 2 1 286.416 -0.055 20 0 CBADMP C[C@](O)(C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000634718839 357129431 /nfs/dbraw/zinc/12/94/31/357129431.db2.gz JZKVKZXJAWMHIE-ILXRZTDVSA-N 2 1 286.416 -0.055 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000635801561 357209947 /nfs/dbraw/zinc/20/99/47/357209947.db2.gz KEYAPKNKDJYWDZ-CYBMUJFWSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635809480 357210929 /nfs/dbraw/zinc/21/09/29/357210929.db2.gz ISKZSPIZYATLKN-UHFFFAOYSA-N 2 1 257.378 -0.241 20 0 CBADMP C[C@H](C(=O)NCCC[N@@H+](C)CCN(C)C)[NH+](C)C ZINC000635934372 357236109 /nfs/dbraw/zinc/23/61/09/357236109.db2.gz PLJPIXGZSXXHAL-GFCCVEGCSA-N 2 1 258.410 -0.064 20 0 CBADMP C[C@H](C(=O)NCCCN(C)CC[NH+](C)C)[NH+](C)C ZINC000635934372 357236112 /nfs/dbraw/zinc/23/61/12/357236112.db2.gz PLJPIXGZSXXHAL-GFCCVEGCSA-N 2 1 258.410 -0.064 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635546998 357174689 /nfs/dbraw/zinc/17/46/89/357174689.db2.gz DNXRJGNFIWJFIL-STQMWFEESA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635546998 357174691 /nfs/dbraw/zinc/17/46/91/357174691.db2.gz DNXRJGNFIWJFIL-STQMWFEESA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635546998 357174694 /nfs/dbraw/zinc/17/46/94/357174694.db2.gz DNXRJGNFIWJFIL-STQMWFEESA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635548428 357175069 /nfs/dbraw/zinc/17/50/69/357175069.db2.gz QXTCKDJEMWISMW-GFCCVEGCSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000635556932 357176483 /nfs/dbraw/zinc/17/64/83/357176483.db2.gz WVRSLHBJYZRLNR-LLVKDONJSA-N 2 1 270.377 -0.783 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000635555855 357176560 /nfs/dbraw/zinc/17/65/60/357176560.db2.gz KTLYTWMNJPNJPP-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000635555855 357176563 /nfs/dbraw/zinc/17/65/63/357176563.db2.gz KTLYTWMNJPNJPP-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000636581250 357290116 /nfs/dbraw/zinc/29/01/16/357290116.db2.gz XBNPICRBJDGWTR-TZMCWYRMSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000636581250 357290118 /nfs/dbraw/zinc/29/01/18/357290118.db2.gz XBNPICRBJDGWTR-TZMCWYRMSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000636581250 357290121 /nfs/dbraw/zinc/29/01/21/357290121.db2.gz XBNPICRBJDGWTR-TZMCWYRMSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000636578683 357290588 /nfs/dbraw/zinc/29/05/88/357290588.db2.gz NLODGZOFCIYYIA-HZSPNIEDSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000636578683 357290592 /nfs/dbraw/zinc/29/05/92/357290592.db2.gz NLODGZOFCIYYIA-HZSPNIEDSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000636578683 357290596 /nfs/dbraw/zinc/29/05/96/357290596.db2.gz NLODGZOFCIYYIA-HZSPNIEDSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000636791359 357303751 /nfs/dbraw/zinc/30/37/51/357303751.db2.gz VUDAUNYHKSBUSX-AAEUAGOBSA-N 2 1 282.388 -0.411 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000636791359 357303752 /nfs/dbraw/zinc/30/37/52/357303752.db2.gz VUDAUNYHKSBUSX-AAEUAGOBSA-N 2 1 282.388 -0.411 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000636791359 357303754 /nfs/dbraw/zinc/30/37/54/357303754.db2.gz VUDAUNYHKSBUSX-AAEUAGOBSA-N 2 1 282.388 -0.411 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+](C)C ZINC000635976764 357243557 /nfs/dbraw/zinc/24/35/57/357243557.db2.gz MVSKBAWZZRDCGE-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000636012878 357250513 /nfs/dbraw/zinc/25/05/13/357250513.db2.gz YLROEJGZBPGYKV-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000636012878 357250517 /nfs/dbraw/zinc/25/05/17/357250517.db2.gz YLROEJGZBPGYKV-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000636140947 357267491 /nfs/dbraw/zinc/26/74/91/357267491.db2.gz RTGLCSJSMWNFSQ-XQQFMLRXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000636140947 357267497 /nfs/dbraw/zinc/26/74/97/357267497.db2.gz RTGLCSJSMWNFSQ-XQQFMLRXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000636140947 357267500 /nfs/dbraw/zinc/26/75/00/357267500.db2.gz RTGLCSJSMWNFSQ-XQQFMLRXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@H](C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[NH+](C)C ZINC000636229725 357272463 /nfs/dbraw/zinc/27/24/63/357272463.db2.gz PGQSSNRMDSLEIF-DGCLKSJQSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636316822 357279837 /nfs/dbraw/zinc/27/98/37/357279837.db2.gz YLTUJEKJGARXNB-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636316822 357279839 /nfs/dbraw/zinc/27/98/39/357279839.db2.gz YLTUJEKJGARXNB-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000636316366 357280061 /nfs/dbraw/zinc/28/00/61/357280061.db2.gz UOKHGLHSDNZGOG-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000636316366 357280066 /nfs/dbraw/zinc/28/00/66/357280066.db2.gz UOKHGLHSDNZGOG-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000637821518 357370318 /nfs/dbraw/zinc/37/03/18/357370318.db2.gz SMQXCWGMLVIAET-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000637863872 357378052 /nfs/dbraw/zinc/37/80/52/357378052.db2.gz IZSRYWGUXQSONA-LLVKDONJSA-N 2 1 251.334 -0.707 20 0 CBADMP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000637832536 357372264 /nfs/dbraw/zinc/37/22/64/357372264.db2.gz IJIZBYMEFMIMFD-YNEHKIRRSA-N 2 1 267.373 -0.035 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000637837113 357373784 /nfs/dbraw/zinc/37/37/84/357373784.db2.gz CGHHRWWQPSTKIL-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000637835061 357373954 /nfs/dbraw/zinc/37/39/54/357373954.db2.gz JPCJVVWYSCISDQ-UONOGXRCSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCN2CC[NH2+]CC2)O1 ZINC000637835634 357374207 /nfs/dbraw/zinc/37/42/07/357374207.db2.gz PBUGIOSIQNNCHS-CHWSQXEVSA-N 2 1 284.404 -0.931 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCN2CC[NH2+]CC2)O1 ZINC000637835634 357374208 /nfs/dbraw/zinc/37/42/08/357374208.db2.gz PBUGIOSIQNNCHS-CHWSQXEVSA-N 2 1 284.404 -0.931 20 0 CBADMP CN(CCN1CC[NH2+]CC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637834297 357374218 /nfs/dbraw/zinc/37/42/18/357374218.db2.gz BMNGHPGRKOXIQS-CYBMUJFWSA-N 2 1 268.405 -0.308 20 0 CBADMP CN(C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CC[NH2+]C1 ZINC000637837329 357374919 /nfs/dbraw/zinc/37/49/19/357374919.db2.gz DIBHPZLUNYKSQP-WOPDTQHZSA-N 2 1 253.346 -0.330 20 0 CBADMP COCC[NH+]1CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637338781 357339812 /nfs/dbraw/zinc/33/98/12/357339812.db2.gz BWFQQIVCMQMGOZ-UHFFFAOYSA-N 2 1 270.377 -0.288 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCC[NH3+] ZINC000637801604 357366797 /nfs/dbraw/zinc/36/67/97/357366797.db2.gz HUGPPDFRSXAEJD-ZDUSSCGKSA-N 2 1 264.373 -0.089 20 0 CBADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NCCC[NH3+] ZINC000637801604 357366800 /nfs/dbraw/zinc/36/68/00/357366800.db2.gz HUGPPDFRSXAEJD-ZDUSSCGKSA-N 2 1 264.373 -0.089 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1CCC[NH2+]CC1 ZINC000637804070 357366857 /nfs/dbraw/zinc/36/68/57/357366857.db2.gz UMGIWIAIAPNKHC-UHFFFAOYSA-N 2 1 287.404 -0.207 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638237718 357441507 /nfs/dbraw/zinc/44/15/07/357441507.db2.gz VIQFGHSOJGRECM-ZDUSSCGKSA-N 2 1 277.372 -0.302 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000638236952 357441519 /nfs/dbraw/zinc/44/15/19/357441519.db2.gz MLJKWYKRVXYRAE-STQMWFEESA-N 2 1 287.404 -0.081 20 0 CBADMP COC[C@@]1(C(=O)NCCC[NH+]2CCOCC2)CCCC[NH2+]1 ZINC000638048882 357405558 /nfs/dbraw/zinc/40/55/58/357405558.db2.gz WCDQJAAMKRCPSE-OAHLLOKOSA-N 2 1 299.415 -0.016 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638057317 357407660 /nfs/dbraw/zinc/40/76/60/357407660.db2.gz AYMYYJNJKWLABP-UHFFFAOYSA-N 2 1 284.404 -0.928 20 0 CBADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000638070095 357409574 /nfs/dbraw/zinc/40/95/74/357409574.db2.gz WXQKHEUYSNJNMN-DGCLKSJQSA-N 2 1 287.429 -0.082 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000638070341 357409908 /nfs/dbraw/zinc/40/99/08/357409908.db2.gz YXHVCVJENPHCHZ-ZJUUUORDSA-N 2 1 259.375 -0.732 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638075343 357410479 /nfs/dbraw/zinc/41/04/79/357410479.db2.gz DZVQYMCNSKBVST-YPMHNXCESA-N 2 1 255.362 -0.048 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000638075062 357410996 /nfs/dbraw/zinc/41/09/96/357410996.db2.gz PXNIGZKOAXXJLP-KKOKHZNYSA-N 2 1 253.346 -0.154 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)CN1CC[NH2+]CC1 ZINC000638076241 357411848 /nfs/dbraw/zinc/41/18/48/357411848.db2.gz XELGEDSQEAERMU-GFCCVEGCSA-N 2 1 279.388 -0.151 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000638081634 357412631 /nfs/dbraw/zinc/41/26/31/357412631.db2.gz BAKIKJAWVDGFBC-WCQYABFASA-N 2 1 255.362 -0.036 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000638078183 357412668 /nfs/dbraw/zinc/41/26/68/357412668.db2.gz FAZCUKMSJPWKDX-MDZLAQPJSA-N 2 1 255.362 -0.036 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638090924 357414462 /nfs/dbraw/zinc/41/44/62/357414462.db2.gz IWSNMZIWECFPPD-DGCLKSJQSA-N 2 1 273.377 -0.552 20 0 CBADMP C[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)C[NH+]1CCOCC1 ZINC000638091808 357414643 /nfs/dbraw/zinc/41/46/43/357414643.db2.gz ZAVNZXWMFRXFDD-JSGCOSHPSA-N 2 1 285.388 -0.551 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000638090470 357414754 /nfs/dbraw/zinc/41/47/54/357414754.db2.gz XLKQVVWLDAVESF-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)C[NH+]1CCOCC1 ZINC000638091809 357415009 /nfs/dbraw/zinc/41/50/09/357415009.db2.gz ZAVNZXWMFRXFDD-OCCSQVGLSA-N 2 1 285.388 -0.551 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638100537 357416703 /nfs/dbraw/zinc/41/67/03/357416703.db2.gz PZIWTPKTVOTGDF-IPYPFGDCSA-N 2 1 299.415 -0.020 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000638117948 357420615 /nfs/dbraw/zinc/42/06/15/357420615.db2.gz PWMSOTZDJCTPIX-KBPBESRZSA-N 2 1 298.431 -0.493 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000638118098 357420840 /nfs/dbraw/zinc/42/08/40/357420840.db2.gz WCFYHBDYAWXSDC-NEPJUHHUSA-N 2 1 253.346 -0.201 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000638112853 357421012 /nfs/dbraw/zinc/42/10/12/357421012.db2.gz VWBWPHWSOAVWTQ-AWEZNQCLSA-N 2 1 282.432 -0.014 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638121670 357421357 /nfs/dbraw/zinc/42/13/57/357421357.db2.gz HTMQVSAQRRQJOM-JSGCOSHPSA-N 2 1 287.404 -0.162 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)CN2CC[NH2+]CC2)CC[N@H+]1C ZINC000638124313 357421817 /nfs/dbraw/zinc/42/18/17/357421817.db2.gz SKXFZUJCGTWOOW-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)CN2CC[NH2+]CC2)C1 ZINC000638124635 357421981 /nfs/dbraw/zinc/42/19/81/357421981.db2.gz BOGJFTVXTYIWGV-GFCCVEGCSA-N 2 1 254.378 -0.650 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[N@H+]1C1CC1 ZINC000638132248 357422855 /nfs/dbraw/zinc/42/28/55/357422855.db2.gz FXJJJCRNRYZQBD-BSJXLVFVSA-N 2 1 253.346 -0.156 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000638132937 357423952 /nfs/dbraw/zinc/42/39/52/357423952.db2.gz XVMGHGPUQXRJNK-CYBMUJFWSA-N 2 1 268.405 -0.308 20 0 CBADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCC[NH+]2CCN(C)CC2)C1 ZINC000638137258 357424462 /nfs/dbraw/zinc/42/44/62/357424462.db2.gz SKYPZQKZDWDHPJ-UKRRQHHQSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@H]([NH3+])CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000638141432 357425056 /nfs/dbraw/zinc/42/50/56/357425056.db2.gz UKCFQNLKAZEZFE-STQMWFEESA-N 2 1 268.405 -0.038 20 0 CBADMP COC[C@@]1(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCCC[NH2+]1 ZINC000638138414 357425247 /nfs/dbraw/zinc/42/52/47/357425247.db2.gz ARAMFOZPGSSLMT-DZGCQCFKSA-N 2 1 298.431 -0.493 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000638138136 357425335 /nfs/dbraw/zinc/42/53/35/357425335.db2.gz WFLIMUFVEOLLJY-STQMWFEESA-N 2 1 270.421 -0.016 20 0 CBADMP [NH3+][C@H](CNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000638154820 357427226 /nfs/dbraw/zinc/42/72/26/357427226.db2.gz RHSWJNNTIWQZTI-TUAOUCFPSA-N 2 1 253.346 -0.297 20 0 CBADMP [NH3+][C@H](CNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000638154818 357427507 /nfs/dbraw/zinc/42/75/07/357427507.db2.gz RHSWJNNTIWQZTI-IJLUTSLNSA-N 2 1 253.346 -0.297 20 0 CBADMP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000638174027 357431964 /nfs/dbraw/zinc/43/19/64/357431964.db2.gz MZQXUWFWMIWFQE-CHWSQXEVSA-N 2 1 292.383 -0.543 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638174051 357432440 /nfs/dbraw/zinc/43/24/40/357432440.db2.gz IAWLLEOUEFXASY-SECBINFHSA-N 2 1 251.277 -0.548 20 0 CBADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC(F)(F)C[NH3+])C1 ZINC000638174946 357432713 /nfs/dbraw/zinc/43/27/13/357432713.db2.gz SVXXVRGFIASQGK-APPZFPTMSA-N 2 1 251.277 -0.536 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)O1 ZINC000638200900 357434212 /nfs/dbraw/zinc/43/42/12/357434212.db2.gz KHOPLJSKKJHBAY-FVCCEPFGSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)O1 ZINC000638200900 357434219 /nfs/dbraw/zinc/43/42/19/357434219.db2.gz KHOPLJSKKJHBAY-FVCCEPFGSA-N 2 1 267.373 -0.084 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638228626 357438005 /nfs/dbraw/zinc/43/80/05/357438005.db2.gz HXRVJBDJFMQKMA-ZDUSSCGKSA-N 2 1 277.372 -0.302 20 0 CBADMP CN1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C[NH3+])C1 ZINC000637866349 357379487 /nfs/dbraw/zinc/37/94/87/357379487.db2.gz KXRNSONKKJYAQN-VXGBXAGGSA-N 2 1 254.378 -0.571 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000638593020 357499428 /nfs/dbraw/zinc/49/94/28/357499428.db2.gz ZAXVLSXEJRAGNO-CYBMUJFWSA-N 2 1 286.420 -0.683 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000638264733 357445668 /nfs/dbraw/zinc/44/56/68/357445668.db2.gz JYCUBYFZYJXINN-LLVKDONJSA-N 2 1 252.318 -0.314 20 0 CBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CC[NH2+]CC2)C1 ZINC000638287097 357451469 /nfs/dbraw/zinc/45/14/69/357451469.db2.gz UAVJRYWGIUMBRG-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000638294278 357452797 /nfs/dbraw/zinc/45/27/97/357452797.db2.gz NRHVEGUBLSNBMH-TZMCWYRMSA-N 2 1 285.388 -0.408 20 0 CBADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000638294278 357452800 /nfs/dbraw/zinc/45/28/00/357452800.db2.gz NRHVEGUBLSNBMH-TZMCWYRMSA-N 2 1 285.388 -0.408 20 0 CBADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000638294277 357453481 /nfs/dbraw/zinc/45/34/81/357453481.db2.gz NRHVEGUBLSNBMH-OCCSQVGLSA-N 2 1 285.388 -0.408 20 0 CBADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000638294277 357453485 /nfs/dbraw/zinc/45/34/85/357453485.db2.gz NRHVEGUBLSNBMH-OCCSQVGLSA-N 2 1 285.388 -0.408 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CC[NH2+]CC3)[C@H]2C1 ZINC000638312406 357454795 /nfs/dbraw/zinc/45/47/95/357454795.db2.gz FTHAMKOWSCOHSN-OLZOCXBDSA-N 2 1 266.389 -0.556 20 0 CBADMP O=C(CN1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000638330556 357458142 /nfs/dbraw/zinc/45/81/42/357458142.db2.gz VXCDAGVSQCDUDY-CQSZACIVSA-N 2 1 289.383 -0.540 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000638354877 357461837 /nfs/dbraw/zinc/46/18/37/357461837.db2.gz WYHFNSNAAAEAKI-NSHDSACASA-N 2 1 255.362 -0.217 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638395638 357467394 /nfs/dbraw/zinc/46/73/94/357467394.db2.gz DFZJUNRXVHZFOJ-NAWOPXAZSA-N 2 1 285.388 -0.284 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638395638 357467400 /nfs/dbraw/zinc/46/74/00/357467400.db2.gz DFZJUNRXVHZFOJ-NAWOPXAZSA-N 2 1 285.388 -0.284 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638619954 357509958 /nfs/dbraw/zinc/50/99/58/357509958.db2.gz WRYMQLMCBJWZIQ-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638619943 357509990 /nfs/dbraw/zinc/50/99/90/357509990.db2.gz WRYMQLMCBJWZIQ-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP CCC[N@H+](CCNS(C)(=O)=O)C1CC[NH2+]CC1 ZINC000431067184 283261435 /nfs/dbraw/zinc/26/14/35/283261435.db2.gz PJDNVWIOVYLABI-UHFFFAOYSA-N 2 1 263.407 0.000 20 0 CBADMP CCC[N@@H+](CCNS(C)(=O)=O)C1CC[NH2+]CC1 ZINC000431067184 283261440 /nfs/dbraw/zinc/26/14/40/283261440.db2.gz PJDNVWIOVYLABI-UHFFFAOYSA-N 2 1 263.407 0.000 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000638426608 357474001 /nfs/dbraw/zinc/47/40/01/357474001.db2.gz SNWJBHSGKSCUIA-YDHLFZDLSA-N 2 1 296.415 -0.741 20 0 CBADMP [NH3+][C@H]1CC=C(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000638427587 357474991 /nfs/dbraw/zinc/47/49/91/357474991.db2.gz VFWQMAIGGJDWOD-STQMWFEESA-N 2 1 264.373 -0.460 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000638437114 357476633 /nfs/dbraw/zinc/47/66/33/357476633.db2.gz ILQVICGFLHYXKP-UHFFFAOYSA-N 2 1 250.302 -0.608 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CCOC3(C[NH2+]C3)C2)CC[N@H+]1C ZINC000638439956 357477279 /nfs/dbraw/zinc/47/72/79/357477279.db2.gz LJAYHVOEYTUARS-NWDGAFQWSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000638494886 357485277 /nfs/dbraw/zinc/48/52/77/357485277.db2.gz BZTAQJQKDAVSOM-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N1CC[NH+](C)CC1 ZINC000638645041 357515750 /nfs/dbraw/zinc/51/57/50/357515750.db2.gz UDCSYEXZHNBQAN-FRRDWIJNSA-N 2 1 268.405 -0.121 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000638728449 357526387 /nfs/dbraw/zinc/52/63/87/357526387.db2.gz RURIJHQXRYVKKB-JTQLQIEISA-N 2 1 266.349 -0.549 20 0 CBADMP C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000638892993 357540808 /nfs/dbraw/zinc/54/08/08/357540808.db2.gz KZVBGHQWFORPHJ-FRRDWIJNSA-N 2 1 268.405 -0.325 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917851 357543483 /nfs/dbraw/zinc/54/34/83/357543483.db2.gz JILATKJAAYLYBT-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000638934290 357546237 /nfs/dbraw/zinc/54/62/37/357546237.db2.gz GMBRUKDSDXTGGC-STQMWFEESA-N 2 1 268.405 -0.038 20 0 CBADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000639049274 357555769 /nfs/dbraw/zinc/55/57/69/357555769.db2.gz MNVDOQSWJPTVOU-AWEZNQCLSA-N 2 1 271.405 -0.247 20 0 CBADMP C[N@H+]1CC[C@](O)(C[NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000639049274 357555770 /nfs/dbraw/zinc/55/57/70/357555770.db2.gz MNVDOQSWJPTVOU-AWEZNQCLSA-N 2 1 271.405 -0.247 20 0 CBADMP CCOC[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761750 357596193 /nfs/dbraw/zinc/59/61/93/357596193.db2.gz IYWBQHIMYZONRS-OLZOCXBDSA-N 2 1 260.378 -0.228 20 0 CBADMP CCOC[C@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761750 357596196 /nfs/dbraw/zinc/59/61/96/357596196.db2.gz IYWBQHIMYZONRS-OLZOCXBDSA-N 2 1 260.378 -0.228 20 0 CBADMP C[NH+](C)C[C@]1(O)CCCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000639768877 357597073 /nfs/dbraw/zinc/59/70/73/357597073.db2.gz UVMNAYGDTMTAGC-HUUCEWRRSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640475473 357655641 /nfs/dbraw/zinc/65/56/41/357655641.db2.gz YNLNPEUZJARWAF-FZMZJTMJSA-N 2 1 267.373 -0.347 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640475473 357655647 /nfs/dbraw/zinc/65/56/47/357655647.db2.gz YNLNPEUZJARWAF-FZMZJTMJSA-N 2 1 267.373 -0.347 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000641493506 357712965 /nfs/dbraw/zinc/71/29/65/357712965.db2.gz NUHVWTZDYSEJQB-GHMZBOCLSA-N 2 1 272.393 -0.180 20 0 CBADMP COCC[C@@H]([NH3+])Cc1cn(C[C@@H](O)C[N@@H+](C)C(C)C)nn1 ZINC000641220757 357681875 /nfs/dbraw/zinc/68/18/75/357681875.db2.gz FHWHPEVMPQJNQF-OCCSQVGLSA-N 2 1 299.419 -0.115 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)Cn1cc(C[NH+]2CCCC2)nn1 ZINC000641221863 357681897 /nfs/dbraw/zinc/68/18/97/357681897.db2.gz JMKZQHWUYXFMRW-CQSZACIVSA-N 2 1 297.403 -0.187 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc(C[NH+]2CCCC2)nn1 ZINC000641221863 357681898 /nfs/dbraw/zinc/68/18/98/357681898.db2.gz JMKZQHWUYXFMRW-CQSZACIVSA-N 2 1 297.403 -0.187 20 0 CBADMP C[N@@H+](C[C@@H](O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1)C1CC1 ZINC000641220890 357681925 /nfs/dbraw/zinc/68/19/25/357681925.db2.gz CPHOUCSXMXKLPH-SMDDNHRTSA-N 2 1 279.388 -0.115 20 0 CBADMP CC[N@@H+](C)C[C@H](O)Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641220921 357681947 /nfs/dbraw/zinc/68/19/47/357681947.db2.gz DEZKHHWWOSTEKX-AWEZNQCLSA-N 2 1 296.419 -0.962 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641224897 357682450 /nfs/dbraw/zinc/68/24/50/357682450.db2.gz YVBRZOVLABKRKX-OCCSQVGLSA-N 2 1 297.403 -0.631 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641223485 357683201 /nfs/dbraw/zinc/68/32/01/357683201.db2.gz RCVJVSMPTXDLGW-WCQYABFASA-N 2 1 267.377 -0.257 20 0 CBADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000641802742 357743728 /nfs/dbraw/zinc/74/37/28/357743728.db2.gz OIUVUEAPCYDVIR-HBNTYKKESA-N 2 1 255.362 -0.003 20 0 CBADMP Cn1c(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc(=O)n(C)c1=O ZINC000641803505 357744002 /nfs/dbraw/zinc/74/40/02/357744002.db2.gz GCOWTUQMOQLTON-UWVGGRQHSA-N 2 1 266.345 -0.701 20 0 CBADMP Cn1c(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc(=O)n(C)c1=O ZINC000641803507 357744169 /nfs/dbraw/zinc/74/41/69/357744169.db2.gz GCOWTUQMOQLTON-ZJUUUORDSA-N 2 1 266.345 -0.701 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)N(C)CC(=O)NC1CC1 ZINC000641803822 357744213 /nfs/dbraw/zinc/74/42/13/357744213.db2.gz IBDPNHGCHJTIHK-WCQGTBRESA-N 2 1 296.415 -0.173 20 0 CBADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000641802741 357744383 /nfs/dbraw/zinc/74/43/83/357744383.db2.gz OIUVUEAPCYDVIR-GMTAPVOTSA-N 2 1 255.362 -0.003 20 0 CBADMP CC1(C)[C@H]([NH2+]CC(=O)NCC(=O)N2CCCC2)C[C@@H]1[NH3+] ZINC000641803751 357744398 /nfs/dbraw/zinc/74/43/98/357744398.db2.gz HAAGPYVTCLMWPE-WDEREUQCSA-N 2 1 282.388 -0.560 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000641824202 357745655 /nfs/dbraw/zinc/74/56/55/357745655.db2.gz FGTBEWFLAYOGQG-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000641824202 357745656 /nfs/dbraw/zinc/74/56/56/357745656.db2.gz FGTBEWFLAYOGQG-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1(C)C ZINC000641823992 357745659 /nfs/dbraw/zinc/74/56/59/357745659.db2.gz CEEIWGBCPIAOGH-TXEJJXNPSA-N 2 1 294.399 -0.783 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1(C)C ZINC000641823992 357745662 /nfs/dbraw/zinc/74/56/62/357745662.db2.gz CEEIWGBCPIAOGH-TXEJJXNPSA-N 2 1 294.399 -0.783 20 0 CBADMP CN(C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1)C1CC[NH2+]CC1 ZINC000641825395 357746757 /nfs/dbraw/zinc/74/67/57/357746757.db2.gz UBRVXGKOHZGTLN-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1)C1CC[NH2+]CC1 ZINC000641825395 357746759 /nfs/dbraw/zinc/74/67/59/357746759.db2.gz UBRVXGKOHZGTLN-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000641995207 357749102 /nfs/dbraw/zinc/74/91/02/357749102.db2.gz BYEUEOIMWGMYDC-MCIONIFRSA-N 2 1 295.431 -0.232 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000642256996 357751763 /nfs/dbraw/zinc/75/17/63/357751763.db2.gz FEYUIBMODNDXHD-LBPRGKRZSA-N 2 1 292.383 -0.302 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000642329787 357753392 /nfs/dbraw/zinc/75/33/92/357753392.db2.gz SHGGZVWCAMBYCW-WOPDTQHZSA-N 2 1 284.404 -0.314 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000642535630 357756690 /nfs/dbraw/zinc/75/66/90/357756690.db2.gz UCNWQYOJWQIRJY-VXGBXAGGSA-N 2 1 294.399 -0.402 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642756049 357760864 /nfs/dbraw/zinc/76/08/64/357760864.db2.gz SKMUNPCEKNVGRA-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000642786018 357762658 /nfs/dbraw/zinc/76/26/58/357762658.db2.gz XFOIRNLKUPPLSV-STQMWFEESA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000642800811 357763460 /nfs/dbraw/zinc/76/34/60/357763460.db2.gz OOKGXXVJOAVJPG-CMPLNLGQSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000642910556 357768193 /nfs/dbraw/zinc/76/81/93/357768193.db2.gz ISMDTXDMBIAAMZ-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@H](C)[NH3+])CC2 ZINC000642911241 357768387 /nfs/dbraw/zinc/76/83/87/357768387.db2.gz ZLSVLJJCEXTXOO-XQQFMLRXSA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000642910557 357768995 /nfs/dbraw/zinc/76/89/95/357768995.db2.gz ISMDTXDMBIAAMZ-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642920128 357771639 /nfs/dbraw/zinc/77/16/39/357771639.db2.gz ZLQYUHNJTOODCD-CYBMUJFWSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642920128 357771641 /nfs/dbraw/zinc/77/16/41/357771641.db2.gz ZLQYUHNJTOODCD-CYBMUJFWSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000642947277 357772275 /nfs/dbraw/zinc/77/22/75/357772275.db2.gz HALCQUIAGJLEMU-MNOVXSKESA-N 2 1 270.377 -0.704 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000642948198 357772439 /nfs/dbraw/zinc/77/24/39/357772439.db2.gz NVHKJKCFRWOQIY-FRRDWIJNSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](NCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000643472207 357784161 /nfs/dbraw/zinc/78/41/61/357784161.db2.gz HOCQXWWINDZDOG-NWDGAFQWSA-N 2 1 254.378 -0.510 20 0 CBADMP C[N@H+]1CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000643500300 357785798 /nfs/dbraw/zinc/78/57/98/357785798.db2.gz ABLSHPYCSJADGW-HZSPNIEDSA-N 3 1 280.416 -0.119 20 0 CBADMP C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[N@H+]1C1CC1 ZINC000365103056 291141250 /nfs/dbraw/zinc/14/12/50/291141250.db2.gz AKAPOVFZMYPARN-GAIPPQHRSA-N 2 1 253.346 -0.549 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000516572519 291151276 /nfs/dbraw/zinc/15/12/76/291151276.db2.gz KIQHMVMVXDZPGB-AXFHLTTASA-N 2 1 271.361 -0.182 20 0 CBADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000330580675 283404566 /nfs/dbraw/zinc/40/45/66/283404566.db2.gz RIKHOVAIETYMRB-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000424186791 291209541 /nfs/dbraw/zinc/20/95/41/291209541.db2.gz HOYQTUYBZKKPFJ-ZZVYKPCYSA-N 2 1 297.399 -0.282 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]21 ZINC000342089832 216215266 /nfs/dbraw/zinc/21/52/66/216215266.db2.gz BMKOJMBXSZPKNL-SDDRHHMPSA-N 2 1 280.372 -0.996 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]21 ZINC000342089832 216215268 /nfs/dbraw/zinc/21/52/68/216215268.db2.gz BMKOJMBXSZPKNL-SDDRHHMPSA-N 2 1 280.372 -0.996 20 0 CBADMP Cn1cc(S(=O)(=O)NCC[NH2+]CC2([NH3+])CCC2)cn1 ZINC000342114869 216222663 /nfs/dbraw/zinc/22/26/63/216222663.db2.gz BSRXBPTZGVMKJC-UHFFFAOYSA-N 2 1 287.389 -0.831 20 0 CBADMP O=C([C@@H]1CC[NH2+]C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186682643 296037236 /nfs/dbraw/zinc/03/72/36/296037236.db2.gz KZJXAPVZKPHGMQ-VXGBXAGGSA-N 2 1 280.372 -0.981 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364564626 296056386 /nfs/dbraw/zinc/05/63/86/296056386.db2.gz UUQGXVCFDQVSOQ-LBPRGKRZSA-N 2 1 267.373 -0.033 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000423786051 283850314 /nfs/dbraw/zinc/85/03/14/283850314.db2.gz PJTHMNLXBMWICI-GHMZBOCLSA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC[N@@H+](C)C1 ZINC000413891934 284113798 /nfs/dbraw/zinc/11/37/98/284113798.db2.gz HOIWEYHDBVUOGL-XQQFMLRXSA-N 2 1 297.399 -0.253 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC[NH+](C)C1 ZINC000413891934 284113801 /nfs/dbraw/zinc/11/38/01/284113801.db2.gz HOIWEYHDBVUOGL-XQQFMLRXSA-N 2 1 297.399 -0.253 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC[NH+](C)C1 ZINC000413891934 284113804 /nfs/dbraw/zinc/11/38/04/284113804.db2.gz HOIWEYHDBVUOGL-XQQFMLRXSA-N 2 1 297.399 -0.253 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+](C2CCC2)CC1 ZINC000262171687 296138018 /nfs/dbraw/zinc/13/80/18/296138018.db2.gz HWAYCYGASYJFKO-GFCCVEGCSA-N 2 1 253.346 -0.329 20 0 CBADMP CC[C@H](Cn1cncn1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000330835414 203295175 /nfs/dbraw/zinc/29/51/75/203295175.db2.gz WTBUOOYELDBHCU-NEPJUHHUSA-N 2 1 253.350 -0.287 20 0 CBADMP CC[C@H](Cn1cncn1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000330835414 203295178 /nfs/dbraw/zinc/29/51/78/203295178.db2.gz WTBUOOYELDBHCU-NEPJUHHUSA-N 2 1 253.350 -0.287 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000331686865 204075302 /nfs/dbraw/zinc/07/53/02/204075302.db2.gz SWUQLNHAXXQXPN-OLZOCXBDSA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000331686865 204075303 /nfs/dbraw/zinc/07/53/03/204075303.db2.gz SWUQLNHAXXQXPN-OLZOCXBDSA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000331665400 204055856 /nfs/dbraw/zinc/05/58/56/204055856.db2.gz QXAFOYUHQWYAPQ-AGIUHOORSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000331665403 204057374 /nfs/dbraw/zinc/05/73/74/204057374.db2.gz QXAFOYUHQWYAPQ-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP CN(CCC[N@@H+](C)CCN1C(=O)CCC1=O)CC[NH+](C)C ZINC000344060719 217032768 /nfs/dbraw/zinc/03/27/68/217032768.db2.gz MCKCIDAEHKREMR-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP COCCOCC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000344098136 217050501 /nfs/dbraw/zinc/05/05/01/217050501.db2.gz DFZXGXNHOVTKJK-UHFFFAOYSA-N 2 1 287.404 -0.255 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000344098136 217050503 /nfs/dbraw/zinc/05/05/03/217050503.db2.gz DFZXGXNHOVTKJK-UHFFFAOYSA-N 2 1 287.404 -0.255 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC2([NH3+])CCC2)C[C@H]1C ZINC000332490937 296183798 /nfs/dbraw/zinc/18/37/98/296183798.db2.gz RZRDMQNTWPCFRW-VXGBXAGGSA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000418474024 296184067 /nfs/dbraw/zinc/18/40/67/296184067.db2.gz SCDAHDACHLNTCU-AGIUHOORSA-N 2 1 284.404 -0.178 20 0 CBADMP C[C@H](CNC(=O)C1(C[NH3+])CCOCC1)C[NH+]1CCOCC1 ZINC000344449333 217194889 /nfs/dbraw/zinc/19/48/89/217194889.db2.gz XHUYMZROGDPEJA-CYBMUJFWSA-N 2 1 299.415 -0.174 20 0 CBADMP COCCC[N@H+](C)CCNC(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000344436700 217191174 /nfs/dbraw/zinc/19/11/74/217191174.db2.gz HTHLDHUTYYWNJK-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000344436700 217191177 /nfs/dbraw/zinc/19/11/77/217191177.db2.gz HTHLDHUTYYWNJK-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000333167381 205085677 /nfs/dbraw/zinc/08/56/77/205085677.db2.gz HOOVBYUBHLVNOO-KGYLQXTDSA-N 2 1 282.388 -0.243 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000125143947 372794637 /nfs/dbraw/zinc/79/46/37/372794637.db2.gz KWJGGHHKIDWDNK-CYBMUJFWSA-N 2 1 290.408 -0.824 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000068807372 372767152 /nfs/dbraw/zinc/76/71/52/372767152.db2.gz RULDEYXIYFQIEC-WDEREUQCSA-N 2 1 256.394 -0.278 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000353425450 220075248 /nfs/dbraw/zinc/07/52/48/220075248.db2.gz KCXDQKRTRJCZLO-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000102788568 372780302 /nfs/dbraw/zinc/78/03/02/372780302.db2.gz SBFKYRZJHAISRZ-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000102788568 372780304 /nfs/dbraw/zinc/78/03/04/372780304.db2.gz SBFKYRZJHAISRZ-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000102788568 372780307 /nfs/dbraw/zinc/78/03/07/372780307.db2.gz SBFKYRZJHAISRZ-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC[C@]1(C(=O)NC2CC[NH+](CC(=O)NC)CC2)CCC[NH2+]1 ZINC000128826161 372798607 /nfs/dbraw/zinc/79/86/07/372798607.db2.gz AHKZEHYGFPYFQR-OAHLLOKOSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)NC(N)=O)C1 ZINC000173894910 284347448 /nfs/dbraw/zinc/34/74/48/284347448.db2.gz CQTKNXDNIGMCPN-JTQLQIEISA-N 2 1 256.350 -0.155 20 0 CBADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000173894910 284347449 /nfs/dbraw/zinc/34/74/49/284347449.db2.gz CQTKNXDNIGMCPN-JTQLQIEISA-N 2 1 256.350 -0.155 20 0 CBADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000173894910 284347451 /nfs/dbraw/zinc/34/74/51/284347451.db2.gz CQTKNXDNIGMCPN-JTQLQIEISA-N 2 1 256.350 -0.155 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000157268636 372808450 /nfs/dbraw/zinc/80/84/50/372808450.db2.gz VFGUULKTPQHEJV-VXGBXAGGSA-N 2 1 254.378 -0.510 20 0 CBADMP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000188763934 372853200 /nfs/dbraw/zinc/85/32/00/372853200.db2.gz JXLWRTBSTHCFGE-SNVBAGLBSA-N 2 1 275.356 -0.024 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353461007 220096486 /nfs/dbraw/zinc/09/64/86/220096486.db2.gz PSYGAWUUCHFSJR-QLFBSQMISA-N 2 1 294.443 -0.016 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000353470930 220103347 /nfs/dbraw/zinc/10/33/47/220103347.db2.gz LQORIOLMVOGSFF-AWEZNQCLSA-N 2 1 297.447 -0.031 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000252200862 372897006 /nfs/dbraw/zinc/89/70/06/372897006.db2.gz WGXFCODOPYFEJK-UTUOFQBUSA-N 2 1 255.362 -0.036 20 0 CBADMP O=C(CC[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21)N1CC[NH2+]CC1 ZINC000261992089 372906004 /nfs/dbraw/zinc/90/60/04/372906004.db2.gz CWGMPCHOQKQIQA-STQMWFEESA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(CC[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21)N1CC[NH2+]CC1 ZINC000261992089 372906011 /nfs/dbraw/zinc/90/60/11/372906011.db2.gz CWGMPCHOQKQIQA-STQMWFEESA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)N[C@H]1CC[NH2+]C1 ZINC000333355844 205247824 /nfs/dbraw/zinc/24/78/24/205247824.db2.gz KGTYDCFWTYIAGY-JTQLQIEISA-N 2 1 258.391 -0.304 20 0 CBADMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332082505 373002575 /nfs/dbraw/zinc/00/25/75/373002575.db2.gz BABVXQONUWTHLU-AVGNSLFASA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)[C@@H](C)C[NH2+]1 ZINC000332655112 373005687 /nfs/dbraw/zinc/00/56/87/373005687.db2.gz VTTJLTLZVUGJMR-FRRDWIJNSA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH+](C[C@@H](O)C[N@@H+](C)CC1(O)CCOCC1)C1CC1 ZINC000336807979 373024939 /nfs/dbraw/zinc/02/49/39/373024939.db2.gz ARPLMNYCCGQXME-ZDUSSCGKSA-N 2 1 272.389 -0.085 20 0 CBADMP C[NH+](C[C@@H](O)C[N@H+](C)CC1(O)CCOCC1)C1CC1 ZINC000336807979 373024946 /nfs/dbraw/zinc/02/49/46/373024946.db2.gz ARPLMNYCCGQXME-ZDUSSCGKSA-N 2 1 272.389 -0.085 20 0 CBADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC1(O)CCOCC1 ZINC000336807979 373024951 /nfs/dbraw/zinc/02/49/51/373024951.db2.gz ARPLMNYCCGQXME-ZDUSSCGKSA-N 2 1 272.389 -0.085 20 0 CBADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC1(O)CCOCC1 ZINC000336807979 373024957 /nfs/dbraw/zinc/02/49/57/373024957.db2.gz ARPLMNYCCGQXME-ZDUSSCGKSA-N 2 1 272.389 -0.085 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000346648994 373068521 /nfs/dbraw/zinc/06/85/21/373068521.db2.gz GIBSPJTZIBINHW-UWVGGRQHSA-N 2 1 266.345 -0.747 20 0 CBADMP CC[C@@]1(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CCC[NH2+]1 ZINC000343770667 373053511 /nfs/dbraw/zinc/05/35/11/373053511.db2.gz TUQLODZGYPCLEH-DOMZBBRYSA-N 2 1 296.415 -0.025 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@H](C)C[NH+](C)C ZINC000352778432 373108554 /nfs/dbraw/zinc/10/85/54/373108554.db2.gz KTVGPYCQXNCUON-LLVKDONJSA-N 2 1 260.382 -0.186 20 0 CBADMP CCC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000353585571 373112747 /nfs/dbraw/zinc/11/27/47/373112747.db2.gz AOWSECBCHCEWIW-QWRGUYRKSA-N 2 1 270.377 -0.430 20 0 CBADMP CCCC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000353594840 373113375 /nfs/dbraw/zinc/11/33/75/373113375.db2.gz YYUJGHKXXFNBLP-NWDGAFQWSA-N 2 1 284.404 -0.040 20 0 CBADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000353594867 373113850 /nfs/dbraw/zinc/11/38/50/373113850.db2.gz ZCELLOYTPSILOG-QJPTWQEYSA-N 2 1 284.404 -0.184 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000355296532 373123342 /nfs/dbraw/zinc/12/33/42/373123342.db2.gz HQLXETUQEXAQQH-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000360820997 373238119 /nfs/dbraw/zinc/23/81/19/373238119.db2.gz WWXWTLJPWWNZPM-TZMCWYRMSA-N 2 1 267.373 -0.081 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000360820997 373238127 /nfs/dbraw/zinc/23/81/27/373238127.db2.gz WWXWTLJPWWNZPM-TZMCWYRMSA-N 2 1 267.373 -0.081 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1COC[C@H]1O)C1CC[NH+](C)CC1 ZINC000361328321 373278397 /nfs/dbraw/zinc/27/83/97/373278397.db2.gz KGKZKXPJBWXRRD-UONOGXRCSA-N 2 1 271.405 -0.296 20 0 CBADMP C[C@H](O)C[NH+](C)CC1(C[N@@H+](C)C[C@H](C)O)COC1 ZINC000361515233 373305362 /nfs/dbraw/zinc/30/53/62/373305362.db2.gz VAFYIBMLXWRLPJ-RYUDHWBXSA-N 2 1 260.378 -0.372 20 0 CBADMP C[C@H](O)C[NH+](C)CC1(C[N@H+](C)C[C@H](C)O)COC1 ZINC000361515233 373305366 /nfs/dbraw/zinc/30/53/66/373305366.db2.gz VAFYIBMLXWRLPJ-RYUDHWBXSA-N 2 1 260.378 -0.372 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000361555604 373307139 /nfs/dbraw/zinc/30/71/39/373307139.db2.gz BKYAPUYRIPKAIV-DOMZBBRYSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000361555604 373307147 /nfs/dbraw/zinc/30/71/47/373307147.db2.gz BKYAPUYRIPKAIV-DOMZBBRYSA-N 2 1 296.415 -0.264 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccnc(C[NH3+])c2)C1 ZINC000361627685 373321076 /nfs/dbraw/zinc/32/10/76/373321076.db2.gz OVXJKTQEMRVHHL-GFCCVEGCSA-N 2 1 278.356 -0.009 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000353599586 220182892 /nfs/dbraw/zinc/18/28/92/220182892.db2.gz TZEMAHHVMPEYAQ-RYUDHWBXSA-N 2 1 284.404 -0.327 20 0 CBADMP CCC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353600690 220183235 /nfs/dbraw/zinc/18/32/35/220183235.db2.gz XNXIUCFRTHEVBV-NEPJUHHUSA-N 2 1 284.404 -0.183 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000362768633 373448287 /nfs/dbraw/zinc/44/82/87/373448287.db2.gz FXMCQSAJGUSFBZ-QWHCGFSZSA-N 2 1 296.415 -0.536 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000362768633 373448293 /nfs/dbraw/zinc/44/82/93/373448293.db2.gz FXMCQSAJGUSFBZ-QWHCGFSZSA-N 2 1 296.415 -0.536 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000363738904 373506941 /nfs/dbraw/zinc/50/69/41/373506941.db2.gz IICOHXHVJMQKJX-AAEUAGOBSA-N 2 1 255.362 -0.320 20 0 CBADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365333671 373522961 /nfs/dbraw/zinc/52/29/61/373522961.db2.gz YQOCELAMSDVQCB-WHOHXGKFSA-N 2 1 253.346 -0.596 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000366951275 373531860 /nfs/dbraw/zinc/53/18/60/373531860.db2.gz JVFCKNVKPSYVCB-UPJWGTAASA-N 2 1 284.404 -0.803 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000366951275 373531866 /nfs/dbraw/zinc/53/18/66/373531866.db2.gz JVFCKNVKPSYVCB-UPJWGTAASA-N 2 1 284.404 -0.803 20 0 CBADMP CC(C)[C@@H](CNC(=O)C1(C)C[NH2+]C1)N1CC[NH+](C)CC1 ZINC000399277493 373583698 /nfs/dbraw/zinc/58/36/98/373583698.db2.gz YNEUAWBGHPJHSK-CYBMUJFWSA-N 2 1 282.432 -0.016 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399020663 373585846 /nfs/dbraw/zinc/58/58/46/373585846.db2.gz HYBQESNMEVCBCW-NEPJUHHUSA-N 2 1 254.378 -0.524 20 0 CBADMP C[NH2+]CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000372099831 373554074 /nfs/dbraw/zinc/55/40/74/373554074.db2.gz YUGAXHMQAXJJIV-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000377291996 373576087 /nfs/dbraw/zinc/57/60/87/373576087.db2.gz OLJFBDSPLKMBKL-QNWHQSFQSA-N 2 1 267.373 -0.206 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000417448052 373628723 /nfs/dbraw/zinc/62/87/23/373628723.db2.gz SRYCLNCTKPQHTF-RYUDHWBXSA-N 2 1 272.393 -0.044 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417442909 373628766 /nfs/dbraw/zinc/62/87/66/373628766.db2.gz WONWVULAMULHEQ-STQMWFEESA-N 2 1 284.404 -0.185 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417092461 373629299 /nfs/dbraw/zinc/62/92/99/373629299.db2.gz MBCGXPMDTCITII-LBPRGKRZSA-N 2 1 272.393 -0.009 20 0 CBADMP CC[N@@H+](CCNC(=O)NC[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000417431886 373629884 /nfs/dbraw/zinc/62/98/84/373629884.db2.gz RZBVNEMTUAVCKV-LBPRGKRZSA-N 2 1 270.377 -0.242 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)CC[NH3+])[C@@H](C)C1 ZINC000418537391 373633395 /nfs/dbraw/zinc/63/33/95/373633395.db2.gz CUEQCGGXIRNTEE-SRVKXCTJSA-N 2 1 272.393 -0.180 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)C[C@@H]1C ZINC000423387483 373657857 /nfs/dbraw/zinc/65/78/57/373657857.db2.gz MYLMRMZCPWTCDE-AVGNSLFASA-N 2 1 296.415 -0.252 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)C[C@@H]1C ZINC000423387483 373657860 /nfs/dbraw/zinc/65/78/60/373657860.db2.gz MYLMRMZCPWTCDE-AVGNSLFASA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+]1CCO)[C@H](C)[NH3+] ZINC000418699119 373633893 /nfs/dbraw/zinc/63/38/93/373633893.db2.gz NSWWBSQLXWVKON-TUAOUCFPSA-N 2 1 272.393 -0.132 20 0 CBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419026314 373635648 /nfs/dbraw/zinc/63/56/48/373635648.db2.gz NKSVOAXCQLZYFJ-XQQFMLRXSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C[C@H](C)[NH2+]1 ZINC000419103053 373636040 /nfs/dbraw/zinc/63/60/40/373636040.db2.gz LLXISEDRJJMURL-PHIMTYICSA-N 2 1 282.388 -0.594 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419879219 373644276 /nfs/dbraw/zinc/64/42/76/373644276.db2.gz JUDSGNKEDNDLPC-NWDGAFQWSA-N 2 1 282.388 -0.737 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419879219 373644281 /nfs/dbraw/zinc/64/42/81/373644281.db2.gz JUDSGNKEDNDLPC-NWDGAFQWSA-N 2 1 282.388 -0.737 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000423598570 373658766 /nfs/dbraw/zinc/65/87/66/373658766.db2.gz VYJWHNNOSHLDDI-STQMWFEESA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH3+])CC2)C[C@@H]1C ZINC000423372900 373656199 /nfs/dbraw/zinc/65/61/99/373656199.db2.gz HJQOINPENIJICJ-RYUDHWBXSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH3+])CC2)C[C@@H]1C ZINC000423372900 373656205 /nfs/dbraw/zinc/65/62/05/373656205.db2.gz HJQOINPENIJICJ-RYUDHWBXSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422971380 373656345 /nfs/dbraw/zinc/65/63/45/373656345.db2.gz IOAYHBUHGHRFJQ-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000423379972 373656918 /nfs/dbraw/zinc/65/69/18/373656918.db2.gz MJQAZPIPGHZVNA-VXGBXAGGSA-N 2 1 282.388 -0.655 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@@H]1C ZINC000410709266 373619325 /nfs/dbraw/zinc/61/93/25/373619325.db2.gz FENVNLYIDWGBOR-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@@H]1C ZINC000410709266 373619332 /nfs/dbraw/zinc/61/93/32/373619332.db2.gz FENVNLYIDWGBOR-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000423379972 373656928 /nfs/dbraw/zinc/65/69/28/373656928.db2.gz MJQAZPIPGHZVNA-VXGBXAGGSA-N 2 1 282.388 -0.655 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC[N@@H+]1C ZINC000423723150 373660810 /nfs/dbraw/zinc/66/08/10/373660810.db2.gz QGHDYCRLXUYUBC-NEPJUHHUSA-N 2 1 284.404 -0.409 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC[N@H+]1C ZINC000423723150 373660816 /nfs/dbraw/zinc/66/08/16/373660816.db2.gz QGHDYCRLXUYUBC-NEPJUHHUSA-N 2 1 284.404 -0.409 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424163705 373666052 /nfs/dbraw/zinc/66/60/52/373666052.db2.gz XYZUYELZIYUMHX-WOPDTQHZSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H](CNC(=O)C(C)(C)C[NH3+])CN1CC[NH+](C)CC1 ZINC000431016985 373675183 /nfs/dbraw/zinc/67/51/83/373675183.db2.gz MLLWKVLKNWNETF-LBPRGKRZSA-N 2 1 270.421 -0.029 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCS(=O)(=O)N(C)C ZINC000442789654 373680554 /nfs/dbraw/zinc/68/05/54/373680554.db2.gz KAGYHFWESJNGTD-QWRGUYRKSA-N 2 1 263.407 -0.063 20 0 CBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000516168473 373805354 /nfs/dbraw/zinc/80/53/54/373805354.db2.gz JPKIWXNQQOCKNX-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP 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 373807256 /nfs/dbraw/zinc/80/72/56/373807256.db2.gz XLQMFGUGCVZAPQ-FVCCEPFGSA-N 2 1 294.399 -0.642 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000516580656 373815989 /nfs/dbraw/zinc/81/59/89/373815989.db2.gz NORIIKWOSIIBCQ-MELADBBJSA-N 2 1 271.405 -0.439 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000516580656 373815996 /nfs/dbraw/zinc/81/59/96/373815996.db2.gz NORIIKWOSIIBCQ-MELADBBJSA-N 2 1 271.405 -0.439 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000516580656 373816001 /nfs/dbraw/zinc/81/60/01/373816001.db2.gz NORIIKWOSIIBCQ-MELADBBJSA-N 2 1 271.405 -0.439 20 0 CBADMP [NH3+]Cc1nc(C(=O)NC[C@H]2C[NH2+]CCCO2)cs1 ZINC000519829295 373824777 /nfs/dbraw/zinc/82/47/77/373824777.db2.gz XQIUXWVNSPBVQK-MRVPVSSYSA-N 2 1 270.358 -0.290 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCCC1 ZINC000519828006 373825254 /nfs/dbraw/zinc/82/52/54/373825254.db2.gz RHRFLWIMBYIAPH-ZDUSSCGKSA-N 2 1 296.415 -0.072 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCCC1 ZINC000519828006 373825260 /nfs/dbraw/zinc/82/52/60/373825260.db2.gz RHRFLWIMBYIAPH-ZDUSSCGKSA-N 2 1 296.415 -0.072 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000515302450 373781221 /nfs/dbraw/zinc/78/12/21/373781221.db2.gz UXBBQYFJWQVWBS-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000515499776 373789239 /nfs/dbraw/zinc/78/92/39/373789239.db2.gz GUKHOKKKOPLEJG-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000524466080 373885332 /nfs/dbraw/zinc/88/53/32/373885332.db2.gz NXOOOGUSRZDAPK-TZMCWYRMSA-N 2 1 295.431 -0.232 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000524466080 373885345 /nfs/dbraw/zinc/88/53/45/373885345.db2.gz NXOOOGUSRZDAPK-TZMCWYRMSA-N 2 1 295.431 -0.232 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000524466080 373885357 /nfs/dbraw/zinc/88/53/57/373885357.db2.gz NXOOOGUSRZDAPK-TZMCWYRMSA-N 2 1 295.431 -0.232 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000527120827 373903926 /nfs/dbraw/zinc/90/39/26/373903926.db2.gz VKKLOKFSIBNYOU-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000527120827 373903938 /nfs/dbraw/zinc/90/39/38/373903938.db2.gz VKKLOKFSIBNYOU-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000527120827 373903945 /nfs/dbraw/zinc/90/39/45/373903945.db2.gz VKKLOKFSIBNYOU-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1([NH3+])CCC1 ZINC000521997953 373856269 /nfs/dbraw/zinc/85/62/69/373856269.db2.gz AYKZTUPDAIVDRO-JTQLQIEISA-N 2 1 268.361 -0.676 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000522266325 373867674 /nfs/dbraw/zinc/86/76/74/373867674.db2.gz IFDRUVDGVGODSF-UONOGXRCSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)CN1CC[NH+](C)CC1 ZINC000522266325 373867681 /nfs/dbraw/zinc/86/76/81/373867681.db2.gz IFDRUVDGVGODSF-UONOGXRCSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)CN1CC[NH+](C)CC1 ZINC000522266325 373867688 /nfs/dbraw/zinc/86/76/88/373867688.db2.gz IFDRUVDGVGODSF-UONOGXRCSA-N 2 1 282.432 -0.062 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1COCC[NH2+]1 ZINC000529292770 373998050 /nfs/dbraw/zinc/99/80/50/373998050.db2.gz VKDWYXCQTXAPOM-NWDGAFQWSA-N 2 1 282.388 -0.242 20 0 CBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H]3COCC[NH2+]3)C2)C1 ZINC000529386337 374023860 /nfs/dbraw/zinc/02/38/60/374023860.db2.gz KXLWEZFOUTURNF-TZMCWYRMSA-N 2 1 282.388 -0.288 20 0 CBADMP C[N@@H+]1CC=C(CNC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529376580 374018364 /nfs/dbraw/zinc/01/83/64/374018364.db2.gz NQRABLOFDQESOX-LBPRGKRZSA-N 2 1 268.361 -0.464 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)[C@H]2C1 ZINC000529377971 374019203 /nfs/dbraw/zinc/01/92/03/374019203.db2.gz RXFGXUZLWJFNMN-UPJWGTAASA-N 2 1 282.388 -0.290 20 0 CBADMP CC(C)[C@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000529381081 374021587 /nfs/dbraw/zinc/02/15/87/374021587.db2.gz XFNPHXOHOVKGIL-CHWSQXEVSA-N 2 1 284.404 -0.044 20 0 CBADMP COC[C@@H](C)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530221978 374065959 /nfs/dbraw/zinc/06/59/59/374065959.db2.gz JCLYRSXWSBWRLH-GFCCVEGCSA-N 2 1 270.377 -0.336 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530220757 374066376 /nfs/dbraw/zinc/06/63/76/374066376.db2.gz COZJDOCZEMYDEV-UHFFFAOYSA-N 2 1 297.403 -0.893 20 0 CBADMP COCCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530222266 374066837 /nfs/dbraw/zinc/06/68/37/374066837.db2.gz HMNCEEJQCHOWLZ-UHFFFAOYSA-N 2 1 270.377 -0.334 20 0 CBADMP CNC(=O)NC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000530231625 374069784 /nfs/dbraw/zinc/06/97/84/374069784.db2.gz SAEULGGORZCAEA-VXGBXAGGSA-N 2 1 270.377 -0.384 20 0 CBADMP CC(C)[C@H]1CNCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000530228974 374070054 /nfs/dbraw/zinc/07/00/54/374070054.db2.gz JQTAGPYYIPXTSE-CYBMUJFWSA-N 2 1 268.405 -0.262 20 0 CBADMP CC(C)[C@H]1CNCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000530228974 374070056 /nfs/dbraw/zinc/07/00/56/374070056.db2.gz JQTAGPYYIPXTSE-CYBMUJFWSA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000531297113 374128782 /nfs/dbraw/zinc/12/87/82/374128782.db2.gz PVRKMKBNISEHLB-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000531297113 374128789 /nfs/dbraw/zinc/12/87/89/374128789.db2.gz PVRKMKBNISEHLB-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@H]1CC[NH+](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000531297113 374128791 /nfs/dbraw/zinc/12/87/91/374128791.db2.gz PVRKMKBNISEHLB-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@H]1CC[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000531297113 374128802 /nfs/dbraw/zinc/12/88/02/374128802.db2.gz PVRKMKBNISEHLB-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000531297111 374129461 /nfs/dbraw/zinc/12/94/61/374129461.db2.gz PVRKMKBNISEHLB-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000531297111 374129466 /nfs/dbraw/zinc/12/94/66/374129466.db2.gz PVRKMKBNISEHLB-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000531297111 374129472 /nfs/dbraw/zinc/12/94/72/374129472.db2.gz PVRKMKBNISEHLB-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000531297111 374129477 /nfs/dbraw/zinc/12/94/77/374129477.db2.gz PVRKMKBNISEHLB-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)C[C@@H]1O ZINC000552157018 374260743 /nfs/dbraw/zinc/26/07/43/374260743.db2.gz AMSDNHXLIMGOQV-AVGNSLFASA-N 2 1 267.373 -0.254 20 0 CBADMP C[C@@H](CN1CCN(C)CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000551842992 374247623 /nfs/dbraw/zinc/24/76/23/374247623.db2.gz RWJFNVNENFTGJW-QWHCGFSZSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H](CN1CCN(C)CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000551842992 374247630 /nfs/dbraw/zinc/24/76/30/374247630.db2.gz RWJFNVNENFTGJW-QWHCGFSZSA-N 2 1 268.405 -0.310 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000584478411 374375161 /nfs/dbraw/zinc/37/51/61/374375161.db2.gz RJOLEOLFPYXGRF-JHJVBQTASA-N 2 1 260.378 -0.324 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000584478411 374375168 /nfs/dbraw/zinc/37/51/68/374375168.db2.gz RJOLEOLFPYXGRF-JHJVBQTASA-N 2 1 260.378 -0.324 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CCC[C@@H](N2CCNC2=O)C1)C1CC1 ZINC000583840983 374369664 /nfs/dbraw/zinc/36/96/64/374369664.db2.gz WYBNAMFHINRQFV-KGLIPLIRSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000578051313 374349957 /nfs/dbraw/zinc/34/99/57/374349957.db2.gz MDHAVEFYLSMQSO-CMPLNLGQSA-N 2 1 270.377 -0.243 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000644129656 374490497 /nfs/dbraw/zinc/49/04/97/374490497.db2.gz BOBTVDYYYYSUFV-GHMZBOCLSA-N 2 1 277.372 -0.109 20 0 CBADMP C[C@H]([NH2+]C[C@@H](O)CN1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000644562913 374595315 /nfs/dbraw/zinc/59/53/15/374595315.db2.gz IHFGZMRMKNRBKF-GOEBONIOSA-N 2 1 298.475 -0.085 20 0 CBADMP CCc1nncn1CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000644572298 374596511 /nfs/dbraw/zinc/59/65/11/374596511.db2.gz QEUSRBHDPGAXDG-LBPRGKRZSA-N 2 1 267.377 -0.115 20 0 CBADMP CCc1nncn1CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000644572298 374596516 /nfs/dbraw/zinc/59/65/16/374596516.db2.gz QEUSRBHDPGAXDG-LBPRGKRZSA-N 2 1 267.377 -0.115 20 0 CBADMP C[C@H](O)C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000644569671 374597444 /nfs/dbraw/zinc/59/74/44/374597444.db2.gz LHETTYVYVDLFAV-QWHCGFSZSA-N 2 1 257.378 -0.637 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]C1CC(NS(C)(=O)=O)C1)C1CC1 ZINC000644640862 374604644 /nfs/dbraw/zinc/60/46/44/374604644.db2.gz DKGRZPPHSOTAPU-CBINBANVSA-N 2 1 291.417 -0.889 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]C1CC(NS(C)(=O)=O)C1)C1CC1 ZINC000644640862 374604647 /nfs/dbraw/zinc/60/46/47/374604647.db2.gz DKGRZPPHSOTAPU-CBINBANVSA-N 2 1 291.417 -0.889 20 0 CBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)COCC[NH3+])C[C@H](C)O1 ZINC000645276564 374656398 /nfs/dbraw/zinc/65/63/98/374656398.db2.gz AFVQQDKSZCACBA-TXEJJXNPSA-N 2 1 287.404 -0.034 20 0 CBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)COCC[NH3+])C[C@H](C)O1 ZINC000645276564 374656404 /nfs/dbraw/zinc/65/64/04/374656404.db2.gz AFVQQDKSZCACBA-TXEJJXNPSA-N 2 1 287.404 -0.034 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000645685022 374691927 /nfs/dbraw/zinc/69/19/27/374691927.db2.gz QZDWNIXBFGVCPR-LLVKDONJSA-N 2 1 280.376 -0.159 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000645685116 374692246 /nfs/dbraw/zinc/69/22/46/374692246.db2.gz VKPWEEUGIWVFRY-NWDGAFQWSA-N 2 1 292.387 -0.146 20 0 CBADMP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000646208009 374755530 /nfs/dbraw/zinc/75/55/30/374755530.db2.gz PHUDZXJBDZYGDD-ZYHUDNBSSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+](C)C[C@@H](CO)NC(=O)CCCC[NH+]1CCOCC1 ZINC000646211277 374757536 /nfs/dbraw/zinc/75/75/36/374757536.db2.gz YUOAPLJBDGKIRC-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CC2([NH3+])CCC2)C1 ZINC000645869485 374709557 /nfs/dbraw/zinc/70/95/57/374709557.db2.gz HFDAKVNUCOLAEX-LBPRGKRZSA-N 2 1 296.415 -0.039 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953290 374717509 /nfs/dbraw/zinc/71/75/09/374717509.db2.gz OAXXBVMMDODZJA-NWDGAFQWSA-N 2 1 255.362 -0.049 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000645951642 374717653 /nfs/dbraw/zinc/71/76/53/374717653.db2.gz SATMMSDEGDRZQE-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C3(C)C[NH2+]C3)C2)CC1 ZINC000645977970 374721512 /nfs/dbraw/zinc/72/15/12/374721512.db2.gz PAHIZAJTMUCCSD-LBPRGKRZSA-N 2 1 280.416 -0.119 20 0 CBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C3(C)C[NH2+]C3)C2)CC1 ZINC000645977970 374721516 /nfs/dbraw/zinc/72/15/16/374721516.db2.gz PAHIZAJTMUCCSD-LBPRGKRZSA-N 2 1 280.416 -0.119 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000646009382 374726662 /nfs/dbraw/zinc/72/66/62/374726662.db2.gz GBADWKJXQVJBPH-KBPBESRZSA-N 2 1 296.415 -0.739 20 0 CBADMP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009581 374727510 /nfs/dbraw/zinc/72/75/10/374727510.db2.gz VMSMWESSEDXHBY-KGLIPLIRSA-N 2 1 298.431 -0.364 20 0 CBADMP CC(C)(C[NH3+])C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009338 374727606 /nfs/dbraw/zinc/72/76/06/374727606.db2.gz BEHRCSSFBXSJAD-ZDUSSCGKSA-N 2 1 298.431 -0.506 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000646652736 374801432 /nfs/dbraw/zinc/80/14/32/374801432.db2.gz XMSCCSCGJSTZBZ-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000646652736 374801437 /nfs/dbraw/zinc/80/14/37/374801437.db2.gz XMSCCSCGJSTZBZ-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP O=C(C[C@H]1CC[NH2+]C1)NCC[N@H+]1CCCOCC1 ZINC000646504173 374782807 /nfs/dbraw/zinc/78/28/07/374782807.db2.gz XAPNLEBITKIYIS-GFCCVEGCSA-N 2 1 255.362 -0.176 20 0 CBADMP CC1(C)C[NH2+][C@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000646503740 374783036 /nfs/dbraw/zinc/78/30/36/374783036.db2.gz PGGDDOGAWCWSIO-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP CC1(C)C[NH2+][C@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000646503740 374783040 /nfs/dbraw/zinc/78/30/40/374783040.db2.gz PGGDDOGAWCWSIO-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H](CNC(=O)CN1CC[NH+](C)CC1)C[NH+](C)C ZINC000646605017 374793471 /nfs/dbraw/zinc/79/34/71/374793471.db2.gz YDWTVIXJFKFETF-LBPRGKRZSA-N 2 1 256.394 -0.452 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357065289 248317686 /nfs/dbraw/zinc/31/76/86/248317686.db2.gz ADNGHOWAZCOAPA-MNOVXSKESA-N 2 1 261.391 -0.533 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357065289 248317690 /nfs/dbraw/zinc/31/76/90/248317690.db2.gz ADNGHOWAZCOAPA-MNOVXSKESA-N 2 1 261.391 -0.533 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000357086254 248318710 /nfs/dbraw/zinc/31/87/10/248318710.db2.gz UGDMWBSFMMAMSK-CYBMUJFWSA-N 2 1 285.388 -0.325 20 0 CBADMP [NH3+]CCOCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000357083886 248319907 /nfs/dbraw/zinc/31/99/07/248319907.db2.gz IVVMUYRQFDDQSR-LBPRGKRZSA-N 2 1 254.334 -0.441 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000357083886 248319912 /nfs/dbraw/zinc/31/99/12/248319912.db2.gz IVVMUYRQFDDQSR-LBPRGKRZSA-N 2 1 254.334 -0.441 20 0 CBADMP C[C@@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000357181127 248332160 /nfs/dbraw/zinc/33/21/60/248332160.db2.gz WPVQZGOBOPABBE-QWRGUYRKSA-N 2 1 270.377 -0.715 20 0 CBADMP C[NH2+][C@@H](C(=O)NCCC[NH+](C)C)c1cnn(C)c1 ZINC000357190188 248332513 /nfs/dbraw/zinc/33/25/13/248332513.db2.gz PLLGHLWGLIOBDY-LLVKDONJSA-N 2 1 253.350 -0.252 20 0 CBADMP CC[C@H]1CN(C(=O)C2C[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000364880381 248712909 /nfs/dbraw/zinc/71/29/09/248712909.db2.gz LEDJUPLHLVVWOJ-WCQYABFASA-N 2 1 267.373 -0.225 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C2(C)C[NH2+]C2)CC1 ZINC000574688770 335039750 /nfs/dbraw/zinc/03/97/50/335039750.db2.gz XQUUXOTXMHGZGM-UHFFFAOYSA-N 2 1 296.415 -0.297 20 0 CBADMP COC(=O)C[N@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC000346847434 218033981 /nfs/dbraw/zinc/03/39/81/218033981.db2.gz MMMGVVWNESMNKG-UHFFFAOYSA-N 2 1 299.415 -0.207 20 0 CBADMP COC(=O)C[N@@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC000346847434 218033984 /nfs/dbraw/zinc/03/39/84/218033984.db2.gz MMMGVVWNESMNKG-UHFFFAOYSA-N 2 1 299.415 -0.207 20 0 CBADMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(=O)n(C)c1=O ZINC000346851424 218035430 /nfs/dbraw/zinc/03/54/30/218035430.db2.gz JUNJJHXPTQSRIZ-DLOVCJGASA-N 2 1 278.356 -0.747 20 0 CBADMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(=O)n(C)c1=O ZINC000346851425 218036045 /nfs/dbraw/zinc/03/60/45/218036045.db2.gz JUNJJHXPTQSRIZ-MVWJERBFSA-N 2 1 278.356 -0.747 20 0 CBADMP COCCN1CC[N@@H+](CC2CC[NH2+]CC2)CC1=O ZINC000346987115 218078695 /nfs/dbraw/zinc/07/86/95/218078695.db2.gz QAHNXVLQUPQBBE-UHFFFAOYSA-N 2 1 255.362 -0.223 20 0 CBADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000347659836 218311258 /nfs/dbraw/zinc/31/12/58/218311258.db2.gz CTDZUJQXKWHDTL-LBPRGKRZSA-N 2 1 284.404 -0.168 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000347833144 218371100 /nfs/dbraw/zinc/37/11/00/218371100.db2.gz CRGBKTFHTDFEKF-LBPRGKRZSA-N 2 1 256.394 -0.311 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347833144 218371102 /nfs/dbraw/zinc/37/11/02/218371102.db2.gz CRGBKTFHTDFEKF-LBPRGKRZSA-N 2 1 256.394 -0.311 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347833144 218371105 /nfs/dbraw/zinc/37/11/05/218371105.db2.gz CRGBKTFHTDFEKF-LBPRGKRZSA-N 2 1 256.394 -0.311 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000353711550 220273711 /nfs/dbraw/zinc/27/37/11/220273711.db2.gz PRLPOFAQPGOSMV-NEPJUHHUSA-N 2 1 282.388 -0.477 20 0 CBADMP COCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000369267885 285014196 /nfs/dbraw/zinc/01/41/96/285014196.db2.gz FMMXUPZPPXQHOM-UHFFFAOYSA-N 2 1 258.362 -0.208 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419509247 207697898 /nfs/dbraw/zinc/69/78/98/207697898.db2.gz DUZUEKHERFONKV-RYUDHWBXSA-N 2 1 286.420 -0.068 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000376720976 532985500 /nfs/dbraw/zinc/98/55/00/532985500.db2.gz OUQCVPNLKLMDNT-JQWIXIFHSA-N 2 1 259.325 -0.475 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419692823 207722030 /nfs/dbraw/zinc/72/20/30/207722030.db2.gz HRDGNIYUTXTDGN-VXGBXAGGSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH2+]CC2)C[C@H]1C ZINC000419845017 207744954 /nfs/dbraw/zinc/74/49/54/207744954.db2.gz DBEXEQBUFVTOMN-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH2+]CC2)C[C@H]1C ZINC000419845017 207744955 /nfs/dbraw/zinc/74/49/55/207744955.db2.gz DBEXEQBUFVTOMN-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@@H](C[NH3+])OC)C[C@H]1C ZINC000353427895 285043832 /nfs/dbraw/zinc/04/38/32/285043832.db2.gz LZKGBMAZNWQWDU-GHMZBOCLSA-N 2 1 259.350 -0.861 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@@H](C[NH3+])OC)C[C@H]1C ZINC000353427895 285043834 /nfs/dbraw/zinc/04/38/34/285043834.db2.gz LZKGBMAZNWQWDU-GHMZBOCLSA-N 2 1 259.350 -0.861 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000423307787 207881704 /nfs/dbraw/zinc/88/17/04/207881704.db2.gz WPOQNALHUCJDLU-UHFFFAOYSA-N 2 1 282.388 -0.639 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428029046 208075711 /nfs/dbraw/zinc/07/57/11/208075711.db2.gz CPLUUKIDEPKYRM-GHMZBOCLSA-N 2 1 261.391 -0.391 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428029046 208075715 /nfs/dbraw/zinc/07/57/15/208075715.db2.gz CPLUUKIDEPKYRM-GHMZBOCLSA-N 2 1 261.391 -0.391 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CCC[NH2+]CC2)CC1 ZINC000428411532 208087277 /nfs/dbraw/zinc/08/72/77/208087277.db2.gz FHDJMTPLKIQPRZ-UHFFFAOYSA-N 2 1 268.405 -0.164 20 0 CBADMP COC(=O)[C@@H](C)C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429682888 208127372 /nfs/dbraw/zinc/12/73/72/208127372.db2.gz HLFOKVVCZVPJHR-LBPRGKRZSA-N 2 1 285.388 -0.109 20 0 CBADMP COC(=O)[C@@H](C)C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429682888 208127379 /nfs/dbraw/zinc/12/73/79/208127379.db2.gz HLFOKVVCZVPJHR-LBPRGKRZSA-N 2 1 285.388 -0.109 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000429671299 208129622 /nfs/dbraw/zinc/12/96/22/208129622.db2.gz NIKDZECRGWIGPI-UHFFFAOYSA-N 2 1 270.377 -0.830 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1(CO)CCC1 ZINC000429243691 208116197 /nfs/dbraw/zinc/11/61/97/208116197.db2.gz GXKKXSYRTDITLH-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1(CO)CCC1 ZINC000429243691 208116201 /nfs/dbraw/zinc/11/62/01/208116201.db2.gz GXKKXSYRTDITLH-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP C[C@@H](NC(=O)C[NH+]1CCC(C[NH3+])CC1)C(=O)N(C)C ZINC000430641793 208168273 /nfs/dbraw/zinc/16/82/73/208168273.db2.gz UIDOLTVGKFXVIZ-SNVBAGLBSA-N 2 1 270.377 -0.750 20 0 CBADMP [NH3+]C[C@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000430624726 208168972 /nfs/dbraw/zinc/16/89/72/208168972.db2.gz PEANERSUOIUKPM-GFCCVEGCSA-N 2 1 255.362 -0.094 20 0 CBADMP CCCNC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641005 208169433 /nfs/dbraw/zinc/16/94/33/208169433.db2.gz RWTPFAMPUBIUPT-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000430725563 208175124 /nfs/dbraw/zinc/17/51/24/208175124.db2.gz XTGMUTNLIGIQEK-GRYCIOLGSA-N 2 1 257.378 -0.117 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000430725563 208175130 /nfs/dbraw/zinc/17/51/30/208175130.db2.gz XTGMUTNLIGIQEK-GRYCIOLGSA-N 2 1 257.378 -0.117 20 0 CBADMP CC(C)N1CC[C@@H]([N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430629329 208169688 /nfs/dbraw/zinc/16/96/88/208169688.db2.gz PWYKYFVINSOGLA-CHWSQXEVSA-N 2 1 296.415 -0.217 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000430636472 208170128 /nfs/dbraw/zinc/17/01/28/208170128.db2.gz JGNZRFZRUAMROK-WCQYABFASA-N 2 1 294.399 -0.463 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000430710416 208171191 /nfs/dbraw/zinc/17/11/91/208171191.db2.gz AMZOCTDKQGEPDD-OLZOCXBDSA-N 2 1 285.388 -0.408 20 0 CBADMP COCC[NH2+]CC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000178867465 285076053 /nfs/dbraw/zinc/07/60/53/285076053.db2.gz MSWFDDKMJSKANP-GHMZBOCLSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)C[NH3+])C[C@H]1C ZINC000430715428 208174627 /nfs/dbraw/zinc/17/46/27/208174627.db2.gz AGBBOEAVOGSUEY-MNOVXSKESA-N 2 1 257.378 -0.115 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(C)(C)C[NH3+])C[C@H]1C ZINC000430715428 208174629 /nfs/dbraw/zinc/17/46/29/208174629.db2.gz AGBBOEAVOGSUEY-MNOVXSKESA-N 2 1 257.378 -0.115 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000430718319 208174680 /nfs/dbraw/zinc/17/46/80/208174680.db2.gz BVVFDUBYIZOBMN-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[NH2+]CC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000178867476 285076500 /nfs/dbraw/zinc/07/65/00/285076500.db2.gz MSWFDDKMJSKANP-WDEREUQCSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)COC2C[NH2+]C2)C1 ZINC000430763922 208178339 /nfs/dbraw/zinc/17/83/39/208178339.db2.gz OZEYMPHHPNCUMH-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000430730865 208179440 /nfs/dbraw/zinc/17/94/40/208179440.db2.gz TZBOASLIACSLNU-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000430732320 208179672 /nfs/dbraw/zinc/17/96/72/208179672.db2.gz OZMWDHSFMBIHIO-GFCCVEGCSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@]1(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000430892998 208186285 /nfs/dbraw/zinc/18/62/85/208186285.db2.gz HKSRQXNSBPHIPA-WFASDCNBSA-N 2 1 296.415 -0.310 20 0 CBADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000430922988 208189498 /nfs/dbraw/zinc/18/94/98/208189498.db2.gz BRUBAFVLHOGWGZ-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000430903279 208190065 /nfs/dbraw/zinc/19/00/65/208190065.db2.gz HDDQHLYJSRVGSG-MNOVXSKESA-N 2 1 268.361 -0.948 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000430903750 208191065 /nfs/dbraw/zinc/19/10/65/208191065.db2.gz LAVCDRUCYUOPCF-RYUDHWBXSA-N 2 1 282.388 -0.416 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000430903751 208191096 /nfs/dbraw/zinc/19/10/96/208191096.db2.gz LAVCDRUCYUOPCF-VXGBXAGGSA-N 2 1 282.388 -0.416 20 0 CBADMP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430931353 208192043 /nfs/dbraw/zinc/19/20/43/208192043.db2.gz BOXIJEZNBDNCFE-CHWSQXEVSA-N 2 1 268.405 -0.180 20 0 CBADMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430931353 208192046 /nfs/dbraw/zinc/19/20/46/208192046.db2.gz BOXIJEZNBDNCFE-CHWSQXEVSA-N 2 1 268.405 -0.180 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC[NH2+]CC2)CC1 ZINC000430930493 208192118 /nfs/dbraw/zinc/19/21/18/208192118.db2.gz SVXMSAZOWFBYTQ-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000430928521 208193224 /nfs/dbraw/zinc/19/32/24/208193224.db2.gz LRUZKLFJAOLRHO-DYEKYZERSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000430928521 208193228 /nfs/dbraw/zinc/19/32/28/208193228.db2.gz LRUZKLFJAOLRHO-DYEKYZERSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000430951163 208194035 /nfs/dbraw/zinc/19/40/35/208194035.db2.gz UPBUHJVUNNTOSC-MNOVXSKESA-N 2 1 263.407 -0.063 20 0 CBADMP C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000430951163 208194041 /nfs/dbraw/zinc/19/40/41/208194041.db2.gz UPBUHJVUNNTOSC-MNOVXSKESA-N 2 1 263.407 -0.063 20 0 CBADMP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000430966474 208197189 /nfs/dbraw/zinc/19/71/89/208197189.db2.gz NUPPRLUYUBVLSH-JTQLQIEISA-N 2 1 268.361 -0.013 20 0 CBADMP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000431021164 208197921 /nfs/dbraw/zinc/19/79/21/208197921.db2.gz HOQMOXUYKUKJIY-QWHCGFSZSA-N 2 1 284.404 -0.883 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)COC2C[NH2+]C2)CC1 ZINC000431008160 208198554 /nfs/dbraw/zinc/19/85/54/208198554.db2.gz XMHIBYGZGLYSRG-UHFFFAOYSA-N 2 1 284.404 -0.881 20 0 CBADMP COCC[NH2+]CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000431021657 208199793 /nfs/dbraw/zinc/19/97/93/208199793.db2.gz AGNXDWPZYJVVID-PWSUYJOCSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C[NH2+]C)CC1 ZINC000431019373 208200066 /nfs/dbraw/zinc/20/00/66/208200066.db2.gz OKUMDYVGQJPJAB-LBPRGKRZSA-N 2 1 256.394 -0.404 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)COC2C[NH2+]C2)C[N@H+]1C1CC1 ZINC000431027847 208201257 /nfs/dbraw/zinc/20/12/57/208201257.db2.gz YSNMYMVRMDKEFH-VHSXEESVSA-N 2 1 253.346 -0.284 20 0 CBADMP CC[NH+]1CCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433396353 208245407 /nfs/dbraw/zinc/24/54/07/208245407.db2.gz WEQJTZIIMNGDMY-LBPRGKRZSA-N 2 1 292.387 -0.020 20 0 CBADMP CC(C)[C@@H](C[NH3+])C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000433160870 208238689 /nfs/dbraw/zinc/23/86/89/208238689.db2.gz WLLPXNLCVGGBRY-CYBMUJFWSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H]([NH3+])CCC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000434678687 208264412 /nfs/dbraw/zinc/26/44/12/208264412.db2.gz JNLIWCWHTDYBGQ-VXGBXAGGSA-N 2 1 256.394 -0.134 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CC[C@H](C)[NH3+] ZINC000434678685 208265589 /nfs/dbraw/zinc/26/55/89/208265589.db2.gz JNLIWCWHTDYBGQ-NWDGAFQWSA-N 2 1 256.394 -0.134 20 0 CBADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CC(N)=O)c1 ZINC000438878068 208313281 /nfs/dbraw/zinc/31/32/81/208313281.db2.gz BSXPFBKENPROHZ-LBPRGKRZSA-N 2 1 278.356 -0.433 20 0 CBADMP CC[N@H+](CCNS(C)(=O)=O)[C@@H]1CCC[NH2+]CC1 ZINC000435614635 208281925 /nfs/dbraw/zinc/28/19/25/208281925.db2.gz NBGDNTYWCJXIJX-LLVKDONJSA-N 2 1 263.407 0.000 20 0 CBADMP CC[N@@H+](CCNS(C)(=O)=O)[C@@H]1CCC[NH2+]CC1 ZINC000435614635 208281928 /nfs/dbraw/zinc/28/19/28/208281928.db2.gz NBGDNTYWCJXIJX-LLVKDONJSA-N 2 1 263.407 0.000 20 0 CBADMP CC[N@H+](CC(=O)NC(=O)NC)[C@H]1CCC[NH2+]CC1 ZINC000435630985 208283085 /nfs/dbraw/zinc/28/30/85/208283085.db2.gz ZFNYLXVQSIPZIY-JTQLQIEISA-N 2 1 256.350 -0.094 20 0 CBADMP CC[N@@H+](CC(=O)NC(=O)NC)[C@H]1CCC[NH2+]CC1 ZINC000435630985 208283088 /nfs/dbraw/zinc/28/30/88/208283088.db2.gz ZFNYLXVQSIPZIY-JTQLQIEISA-N 2 1 256.350 -0.094 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCn1cncn1 ZINC000436063315 208288375 /nfs/dbraw/zinc/28/83/75/208288375.db2.gz KUADPHYHRMZRFS-LBPRGKRZSA-N 2 1 280.376 -0.402 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436287992 208289994 /nfs/dbraw/zinc/28/99/94/208289994.db2.gz DWAZKHQXXLWNBC-VNHYZAJKSA-N 2 1 280.416 -0.262 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000441616573 208351523 /nfs/dbraw/zinc/35/15/23/208351523.db2.gz UMRVIWQQISUXDC-LBPRGKRZSA-N 2 1 256.394 -0.275 20 0 CBADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000443065363 208378680 /nfs/dbraw/zinc/37/86/80/208378680.db2.gz ZRILHJMZQRVZJL-LLVKDONJSA-N 2 1 268.361 -0.994 20 0 CBADMP COCC[C@@]1(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC[NH2+]C1 ZINC000431004189 285155294 /nfs/dbraw/zinc/15/52/94/285155294.db2.gz IQJMDNRISQMSRP-ZFWWWQNUSA-N 2 1 298.431 -0.635 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419576787 285195118 /nfs/dbraw/zinc/19/51/18/285195118.db2.gz CHEVZSIFOQPHFU-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419985136 285232835 /nfs/dbraw/zinc/23/28/35/285232835.db2.gz WLGMHARYVVYOAJ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420141097 285256109 /nfs/dbraw/zinc/25/61/09/285256109.db2.gz JETFXMRYXBKURQ-YNEHKIRRSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000655165540 413028993 /nfs/dbraw/zinc/02/89/93/413028993.db2.gz QXGAVPQLFYRXJO-WCQYABFASA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000655165540 413028997 /nfs/dbraw/zinc/02/89/97/413028997.db2.gz QXGAVPQLFYRXJO-WCQYABFASA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000655165540 413029000 /nfs/dbraw/zinc/02/90/00/413029000.db2.gz QXGAVPQLFYRXJO-WCQYABFASA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000655165540 413029005 /nfs/dbraw/zinc/02/90/05/413029005.db2.gz QXGAVPQLFYRXJO-WCQYABFASA-N 2 1 267.373 -0.394 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)CC[NH3+])CC1 ZINC000431025063 285320170 /nfs/dbraw/zinc/32/01/70/285320170.db2.gz XIZAESOXPQWKJY-GFCCVEGCSA-N 2 1 256.394 -0.275 20 0 CBADMP COC(=O)CN1CCC([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000344623788 533502643 /nfs/dbraw/zinc/50/26/43/533502643.db2.gz VXGDDKMOOKFEHC-CQSZACIVSA-N 2 1 285.388 -0.720 20 0 CBADMP COC(=O)CN1CCC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000344623788 533502646 /nfs/dbraw/zinc/50/26/46/533502646.db2.gz VXGDDKMOOKFEHC-CQSZACIVSA-N 2 1 285.388 -0.720 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000377571193 285595210 /nfs/dbraw/zinc/59/52/10/285595210.db2.gz IYIXMPANLYKECN-HTQZYQBOSA-N 2 1 251.277 -0.584 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCN1CC[NH2+]CC1 ZINC000333870192 297093548 /nfs/dbraw/zinc/09/35/48/297093548.db2.gz UNIZXWZSXYSMCN-ZIAGYGMSSA-N 2 1 295.431 -0.230 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417760046 292337242 /nfs/dbraw/zinc/33/72/42/292337242.db2.gz XDKYOOPHYNLPPY-WDEREUQCSA-N 2 1 260.382 -0.010 20 0 CBADMP COCCCS(=O)(=O)NCC[NH2+]CC1([NH3+])CCC1 ZINC000342125509 292374693 /nfs/dbraw/zinc/37/46/93/292374693.db2.gz IXIOKJKRWCUSRM-UHFFFAOYSA-N 2 1 279.406 -0.587 20 0 CBADMP CC[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@H+]1C[C@@H](C)O ZINC000430696186 287136751 /nfs/dbraw/zinc/13/67/51/287136751.db2.gz IUNGYQVFXQQRRO-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662754118 413994030 /nfs/dbraw/zinc/99/40/30/413994030.db2.gz DMZOPIWXBFLRBJ-FOUMNBMASA-N 2 1 267.373 -0.051 20 0 CBADMP C[NH2+][C@H](C(=O)NCC[N@H+](C)CCCOC)c1cnn(C)c1 ZINC000285751716 196387570 /nfs/dbraw/zinc/38/75/70/196387570.db2.gz JBWKRVJLNQDNMR-ZDUSSCGKSA-N 2 1 297.403 -0.235 20 0 CBADMP C[NH2+][C@H](C(=O)NCC[N@@H+](C)CCCOC)c1cnn(C)c1 ZINC000285751716 196387571 /nfs/dbraw/zinc/38/75/71/196387571.db2.gz JBWKRVJLNQDNMR-ZDUSSCGKSA-N 2 1 297.403 -0.235 20 0 CBADMP C[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C[NH+]1CCCCC1 ZINC000038042323 174045513 /nfs/dbraw/zinc/04/55/13/174045513.db2.gz METGZMXFLIJFEL-MNOVXSKESA-N 2 1 270.377 -0.573 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000038978077 174160690 /nfs/dbraw/zinc/16/06/90/174160690.db2.gz UYHFFDZWQVUNTA-LBPRGKRZSA-N 2 1 254.378 -0.508 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](C(C)C)CC2)C1 ZINC000040632287 174359101 /nfs/dbraw/zinc/35/91/01/174359101.db2.gz JAYBCPATHSCOQW-NWDGAFQWSA-N 2 1 255.362 -0.084 20 0 CBADMP Cn1c(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc(=O)n(C)c1=O ZINC000044531457 175196187 /nfs/dbraw/zinc/19/61/87/175196187.db2.gz WBGOSBNIIWAJLM-SNVBAGLBSA-N 2 1 266.345 -0.745 20 0 CBADMP Cn1c(C[N@H+]2CCC[C@H](C[NH3+])C2)cc(=O)n(C)c1=O ZINC000044531457 175196188 /nfs/dbraw/zinc/19/61/88/175196188.db2.gz WBGOSBNIIWAJLM-SNVBAGLBSA-N 2 1 266.345 -0.745 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000063180305 175684043 /nfs/dbraw/zinc/68/40/43/175684043.db2.gz OOIADNXEABPUSA-CYBMUJFWSA-N 2 1 284.404 -0.895 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCCCC1 ZINC000071150634 176044929 /nfs/dbraw/zinc/04/49/29/176044929.db2.gz XHLXOUPFQPHILK-UHFFFAOYSA-N 2 1 268.405 -0.164 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCCCC1 ZINC000071150634 176044930 /nfs/dbraw/zinc/04/49/30/176044930.db2.gz XHLXOUPFQPHILK-UHFFFAOYSA-N 2 1 268.405 -0.164 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000353460135 287318756 /nfs/dbraw/zinc/31/87/56/287318756.db2.gz NWEJSSRXKUIKRF-AVGNSLFASA-N 2 1 268.405 -0.264 20 0 CBADMP COC1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000079999082 544428189 /nfs/dbraw/zinc/42/81/89/544428189.db2.gz FAKWKIAGOKTLEV-CYBMUJFWSA-N 2 1 285.388 -0.456 20 0 CBADMP COC1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000079999082 544428194 /nfs/dbraw/zinc/42/81/94/544428194.db2.gz FAKWKIAGOKTLEV-CYBMUJFWSA-N 2 1 285.388 -0.456 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000089700146 544436546 /nfs/dbraw/zinc/43/65/46/544436546.db2.gz UFHDZIRHLQFHST-NSHDSACASA-N 2 1 280.376 -0.303 20 0 CBADMP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094463776 544444408 /nfs/dbraw/zinc/44/44/08/544444408.db2.gz GZFVXSQGJTYAIF-GFCCVEGCSA-N 2 1 280.372 -0.885 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)COC2(C)C[NH2+]C2)C1 ZINC000098061728 544446806 /nfs/dbraw/zinc/44/68/06/544446806.db2.gz UQMBKRMGEKSLDD-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H](CO)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000120833910 544450501 /nfs/dbraw/zinc/45/05/01/544450501.db2.gz SYXQOYJBAPNTHB-CYBMUJFWSA-N 2 1 269.389 -0.145 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000226900638 544493073 /nfs/dbraw/zinc/49/30/73/544493073.db2.gz HRFHNNFAKVDVID-NSHDSACASA-N 2 1 254.378 -0.380 20 0 CBADMP CC(=O)N[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000228271480 544496839 /nfs/dbraw/zinc/49/68/39/544496839.db2.gz YWRDYTMZEKZMNZ-LBPRGKRZSA-N 2 1 268.361 -0.981 20 0 CBADMP Cn1nccc1CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000230774604 544502200 /nfs/dbraw/zinc/50/22/00/544502200.db2.gz PXWQOYUYGYLRJM-UHFFFAOYSA-N 2 1 251.378 -0.200 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cn(CC[NH3+])nn3)CC[C@@H]21 ZINC000166615142 544477011 /nfs/dbraw/zinc/47/70/11/544477011.db2.gz FYTXDVQKGCIAFT-YPMHNXCESA-N 2 1 292.387 -0.207 20 0 CBADMP CC(C)C[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000178700806 544481474 /nfs/dbraw/zinc/48/14/74/544481474.db2.gz WJMJEMHKFZGFHL-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C2([NH3+])CCCC2)CC1 ZINC000178699985 544482077 /nfs/dbraw/zinc/48/20/77/544482077.db2.gz RDZAZADBSDCJMI-UHFFFAOYSA-N 2 1 282.388 -0.462 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000232115390 544501455 /nfs/dbraw/zinc/50/14/55/544501455.db2.gz RGEAUFYFVUIBMK-CHWSQXEVSA-N 2 1 285.388 -0.327 20 0 CBADMP Cn1nccc1CC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000230774561 544501794 /nfs/dbraw/zinc/50/17/94/544501794.db2.gz SWTICSXYLKHFSX-LBPRGKRZSA-N 2 1 279.388 -0.251 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCOC2(C[NH2+]C2)C1 ZINC000333949262 544546340 /nfs/dbraw/zinc/54/63/40/544546340.db2.gz XCKFCNJJALXWCX-STQMWFEESA-N 2 1 294.399 -0.003 20 0 CBADMP CC(=O)N[C@@H]1CCN(C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000310909186 544529178 /nfs/dbraw/zinc/52/91/78/544529178.db2.gz QLMUWIFSBLZGBP-OLZOCXBDSA-N 2 1 257.378 -0.102 20 0 CBADMP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)CN1CCOCC1 ZINC000037904520 419411889 /nfs/dbraw/zinc/41/18/89/419411889.db2.gz GXPFBIYMZJFGOE-HIFRSBDPSA-N 2 1 283.416 -0.247 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(COC)CCOCC1 ZINC000660633866 419418589 /nfs/dbraw/zinc/41/85/89/419418589.db2.gz CVQHEDONEPQPOM-ZDUSSCGKSA-N 2 1 290.404 -0.289 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(COC)CCOCC1 ZINC000660633866 419418601 /nfs/dbraw/zinc/41/86/01/419418601.db2.gz CVQHEDONEPQPOM-ZDUSSCGKSA-N 2 1 290.404 -0.289 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043800473 419431322 /nfs/dbraw/zinc/43/13/22/419431322.db2.gz RZOOXJAWUVGCSX-NEPJUHHUSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068807455 419461922 /nfs/dbraw/zinc/46/19/22/419461922.db2.gz GQXHIRJALSLZBH-TUAOUCFPSA-N 2 1 256.394 -0.278 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000070088567 419462161 /nfs/dbraw/zinc/46/21/61/419462161.db2.gz RYMJIRXSDDWGNK-NSHDSACASA-N 2 1 256.394 -0.134 20 0 CBADMP COCCCNC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150783 419467219 /nfs/dbraw/zinc/46/72/19/419467219.db2.gz BIDRQUXOQQWOOT-ZDUSSCGKSA-N 2 1 286.420 -0.635 20 0 CBADMP COCCCNC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150783 419467230 /nfs/dbraw/zinc/46/72/30/419467230.db2.gz BIDRQUXOQQWOOT-ZDUSSCGKSA-N 2 1 286.420 -0.635 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143614 419471140 /nfs/dbraw/zinc/47/11/40/419471140.db2.gz UZNUSLSSFHQODT-ZIAGYGMSSA-N 2 1 297.403 -0.461 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)C1CCC1 ZINC000661153639 419472666 /nfs/dbraw/zinc/47/26/66/419472666.db2.gz LDBHJNYLVBAHBW-STQMWFEESA-N 2 1 260.378 -0.324 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)C1CCC1 ZINC000661153639 419472674 /nfs/dbraw/zinc/47/26/74/419472674.db2.gz LDBHJNYLVBAHBW-STQMWFEESA-N 2 1 260.378 -0.324 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC(=O)N(C)CC2)CC1 ZINC000661818078 419530754 /nfs/dbraw/zinc/53/07/54/419530754.db2.gz PIWHZKRUFXUJAI-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC(=O)N(C)CC2)CC1 ZINC000661818078 419530762 /nfs/dbraw/zinc/53/07/62/419530762.db2.gz PIWHZKRUFXUJAI-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000661826819 419530838 /nfs/dbraw/zinc/53/08/38/419530838.db2.gz KGTYWDFGCRFUOR-FRRDWIJNSA-N 2 1 272.389 -0.181 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000661826819 419530846 /nfs/dbraw/zinc/53/08/46/419530846.db2.gz KGTYWDFGCRFUOR-FRRDWIJNSA-N 2 1 272.389 -0.181 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC([NH+](C)C)CC1 ZINC000388778735 544576529 /nfs/dbraw/zinc/57/65/29/544576529.db2.gz MUFNISUSOSEDGD-AWEZNQCLSA-N 2 1 273.421 -0.049 20 0 CBADMP C[C@H](C(=O)N(C)C)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662157886 419548921 /nfs/dbraw/zinc/54/89/21/419548921.db2.gz SQRCIQQJWYPWQB-YPMHNXCESA-N 2 1 269.389 -0.006 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)C1 ZINC000389740410 544576593 /nfs/dbraw/zinc/57/65/93/544576593.db2.gz NUVWJDYYYCOOGV-QJPTWQEYSA-N 2 1 255.362 -0.036 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394370845 544579256 /nfs/dbraw/zinc/57/92/56/544579256.db2.gz DHYRFSUFMQSAQR-VXGBXAGGSA-N 2 1 254.378 -0.652 20 0 CBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000390349546 544577230 /nfs/dbraw/zinc/57/72/30/544577230.db2.gz LQIMUUDMNBNOGA-GHMZBOCLSA-N 2 1 263.407 -0.002 20 0 CBADMP COC[C@@H](C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])OC ZINC000662271679 419568535 /nfs/dbraw/zinc/56/85/35/419568535.db2.gz IKQFALGCOHASSY-CHWSQXEVSA-N 2 1 287.404 -0.033 20 0 CBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000390349546 544577234 /nfs/dbraw/zinc/57/72/34/544577234.db2.gz LQIMUUDMNBNOGA-GHMZBOCLSA-N 2 1 263.407 -0.002 20 0 CBADMP CN1CCC[C@@H]([N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662245213 419557413 /nfs/dbraw/zinc/55/74/13/419557413.db2.gz RZZIMJLYIOXLTG-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP O=C([C@H]1CCC[N@@H+](C[C@@H]2CNCCO2)C1)N1CC[NH2+]CC1 ZINC000662243510 419559250 /nfs/dbraw/zinc/55/92/50/419559250.db2.gz MKUZDCKRDNITRL-KBPBESRZSA-N 2 1 296.415 -0.881 20 0 CBADMP CCC[N@H+](CC(=O)NC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253167 419561526 /nfs/dbraw/zinc/56/15/26/419561526.db2.gz RYAFXNPUOKOZJJ-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP NC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249492 419562060 /nfs/dbraw/zinc/56/20/60/419562060.db2.gz VNTYVWRICIJQHY-WDEREUQCSA-N 2 1 253.346 -0.153 20 0 CBADMP NC(=O)[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249491 419562318 /nfs/dbraw/zinc/56/23/18/419562318.db2.gz VNTYVWRICIJQHY-QWRGUYRKSA-N 2 1 253.346 -0.153 20 0 CBADMP CC[N@@H+](CCNC(=O)COC1(C)C[NH2+]C1)C1CC1 ZINC000219043892 419564009 /nfs/dbraw/zinc/56/40/09/419564009.db2.gz ISMKJIQHASEIGQ-UHFFFAOYSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+](CC(=O)N(C)C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250676 419564359 /nfs/dbraw/zinc/56/43/59/419564359.db2.gz LQXXIOMWPHLCIR-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CN1CC[NH2+]CC1 ZINC000220109827 419565226 /nfs/dbraw/zinc/56/52/26/419565226.db2.gz CRQGWOHSKOOLPG-LBPRGKRZSA-N 2 1 256.394 -0.262 20 0 CBADMP Cn1nc2c(cc1=O)C[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662257850 419565663 /nfs/dbraw/zinc/56/56/63/419565663.db2.gz SCVNGQVUXIQTFQ-LBPRGKRZSA-N 2 1 290.367 -0.341 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000130292713 419498125 /nfs/dbraw/zinc/49/81/25/419498125.db2.gz XKMRLHJLYXBTMP-ZIAGYGMSSA-N 2 1 297.399 -0.312 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000381240310 544573675 /nfs/dbraw/zinc/57/36/75/544573675.db2.gz KGNBFWJNDXPSPY-YNEHKIRRSA-N 2 1 260.378 -0.060 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000381240310 544573680 /nfs/dbraw/zinc/57/36/80/544573680.db2.gz KGNBFWJNDXPSPY-YNEHKIRRSA-N 2 1 260.378 -0.060 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662538231 419633261 /nfs/dbraw/zinc/63/32/61/419633261.db2.gz LNVSDOHLAOPENS-UHFFFAOYSA-N 2 1 266.349 -0.597 20 0 CBADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394374189 544579636 /nfs/dbraw/zinc/57/96/36/544579636.db2.gz RXUHDJJUNFUHNP-AGIUHOORSA-N 2 1 268.405 -0.134 20 0 CBADMP [NH3+]CCn1cc(C(=O)NCC[N@@H+]2CC=CCC2)nn1 ZINC000392822154 544579712 /nfs/dbraw/zinc/57/97/12/544579712.db2.gz RRACUFKWECJSJC-UHFFFAOYSA-N 2 1 264.333 -0.772 20 0 CBADMP O=C1NC[C@@H]2C[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CCN12 ZINC000662259312 419569151 /nfs/dbraw/zinc/56/91/51/419569151.db2.gz UXHRVKJIHMDQJU-GHMZBOCLSA-N 2 1 266.345 -0.783 20 0 CBADMP O=C1NC[C@@H]2C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CCN12 ZINC000662259312 419569159 /nfs/dbraw/zinc/56/91/59/419569159.db2.gz UXHRVKJIHMDQJU-GHMZBOCLSA-N 2 1 266.345 -0.783 20 0 CBADMP CNS(=O)(=O)c1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000662278191 419571119 /nfs/dbraw/zinc/57/11/19/419571119.db2.gz XMRIFVZEIYOOJE-NSHDSACASA-N 2 1 287.385 -0.654 20 0 CBADMP CNS(=O)(=O)c1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000662278191 419571124 /nfs/dbraw/zinc/57/11/24/419571124.db2.gz XMRIFVZEIYOOJE-NSHDSACASA-N 2 1 287.385 -0.654 20 0 CBADMP C[C@@]1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CCC[NH2+]C1 ZINC000394381766 544580358 /nfs/dbraw/zinc/58/03/58/544580358.db2.gz SWLUYRFYIOUCHI-DZGCQCFKSA-N 2 1 280.416 -0.118 20 0 CBADMP CNC(=O)CCC[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662278933 419571858 /nfs/dbraw/zinc/57/18/58/419571858.db2.gz OAIVQVOOVAQJCD-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP CN1CCC[C@@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662277522 419572467 /nfs/dbraw/zinc/57/24/67/419572467.db2.gz VODMYMPWKOBIHS-CHWSQXEVSA-N 2 1 266.389 -0.413 20 0 CBADMP CNS(=O)(=O)c1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000662278187 419573266 /nfs/dbraw/zinc/57/32/66/419573266.db2.gz XMRIFVZEIYOOJE-LLVKDONJSA-N 2 1 287.385 -0.654 20 0 CBADMP CNS(=O)(=O)c1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000662278187 419573275 /nfs/dbraw/zinc/57/32/75/419573275.db2.gz XMRIFVZEIYOOJE-LLVKDONJSA-N 2 1 287.385 -0.654 20 0 CBADMP [NH3+]CCCCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394381425 544580581 /nfs/dbraw/zinc/58/05/81/544580581.db2.gz MAYCGBBTMVEUED-LBPRGKRZSA-N 2 1 254.378 -0.379 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCCO1 ZINC000662283028 419574359 /nfs/dbraw/zinc/57/43/59/419574359.db2.gz ZQCINTITQDDMLL-NEPJUHHUSA-N 3 1 255.362 -0.443 20 0 CBADMP CN1CCC[C@@H]([N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000662281931 419574829 /nfs/dbraw/zinc/57/48/29/419574829.db2.gz MOVXVMRYNXSVQY-CHWSQXEVSA-N 2 1 292.387 -0.006 20 0 CBADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000662285285 419575372 /nfs/dbraw/zinc/57/53/72/419575372.db2.gz ITBJDNQMNWFFPH-ONGXEEELSA-N 2 1 295.305 -0.025 20 0 CBADMP C[C@H]1C(=O)NCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662280048 419575567 /nfs/dbraw/zinc/57/55/67/419575567.db2.gz XMZBODNTZSGFLV-WDEREUQCSA-N 2 1 253.346 -0.282 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(C)(C)[NH3+] ZINC000237017117 419576282 /nfs/dbraw/zinc/57/62/82/419576282.db2.gz WNFVVICUYHNVHQ-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394384397 544580966 /nfs/dbraw/zinc/58/09/66/544580966.db2.gz JCWJRBQURFFMLA-QWHCGFSZSA-N 2 1 266.389 -0.365 20 0 CBADMP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394381429 544581143 /nfs/dbraw/zinc/58/11/43/544581143.db2.gz RTENYEQVCAVWAB-STQMWFEESA-N 2 1 298.456 -0.412 20 0 CBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000237554812 419581323 /nfs/dbraw/zinc/58/13/23/419581323.db2.gz IGKVZNZWKDCHAO-NWDGAFQWSA-N 2 1 271.361 -0.798 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662296611 419582223 /nfs/dbraw/zinc/58/22/23/419582223.db2.gz TZDMDVMBHVIXHM-RYUDHWBXSA-N 2 1 253.350 -0.430 20 0 CBADMP CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000662305255 419583144 /nfs/dbraw/zinc/58/31/44/419583144.db2.gz GEGKJQJUVPCWGQ-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000662305255 419583150 /nfs/dbraw/zinc/58/31/50/419583150.db2.gz GEGKJQJUVPCWGQ-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC000662319115 419583293 /nfs/dbraw/zinc/58/32/93/419583293.db2.gz DPKLKDVJGSLFBY-GFCCVEGCSA-N 2 1 293.433 -0.292 20 0 CBADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC000662319115 419583299 /nfs/dbraw/zinc/58/32/99/419583299.db2.gz DPKLKDVJGSLFBY-GFCCVEGCSA-N 2 1 293.433 -0.292 20 0 CBADMP C[NH+](C)CCC[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000662326838 419584032 /nfs/dbraw/zinc/58/40/32/419584032.db2.gz DKJTWILYKVLRHX-HNNXBMFYSA-N 3 1 284.448 -0.066 20 0 CBADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000662326838 419584039 /nfs/dbraw/zinc/58/40/39/419584039.db2.gz DKJTWILYKVLRHX-HNNXBMFYSA-N 3 1 284.448 -0.066 20 0 CBADMP N[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@H]1F ZINC000662321824 419586507 /nfs/dbraw/zinc/58/65/07/419586507.db2.gz DTJHYQHSNPJWPJ-GHMZBOCLSA-N 2 1 258.341 -0.821 20 0 CBADMP N[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@H]1F ZINC000662321824 419586516 /nfs/dbraw/zinc/58/65/16/419586516.db2.gz DTJHYQHSNPJWPJ-GHMZBOCLSA-N 2 1 258.341 -0.821 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662316157 419586652 /nfs/dbraw/zinc/58/66/52/419586652.db2.gz IZMINOYVHXKVKC-DGCLKSJQSA-N 2 1 272.393 -0.356 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662316157 419586658 /nfs/dbraw/zinc/58/66/58/419586658.db2.gz IZMINOYVHXKVKC-DGCLKSJQSA-N 2 1 272.393 -0.356 20 0 CBADMP [NH3+]CCOCC[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662315602 419586783 /nfs/dbraw/zinc/58/67/83/419586783.db2.gz GSHGOUBBYCARGC-GFCCVEGCSA-N 2 1 255.362 -0.094 20 0 CBADMP C[C@@]12COC[C@@H]1C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000662310724 419587439 /nfs/dbraw/zinc/58/74/39/419587439.db2.gz MQYKCAXPDVOWBI-GXTWGEPZSA-N 2 1 267.373 -0.223 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662388309 419592030 /nfs/dbraw/zinc/59/20/30/419592030.db2.gz PJQWJKYHNSDRMU-NSHDSACASA-N 2 1 280.376 -0.302 20 0 CBADMP Nc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000647489670 419594294 /nfs/dbraw/zinc/59/42/94/419594294.db2.gz WMPKLHTWZGWKKV-LBPRGKRZSA-N 2 1 277.372 -0.049 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)Cc1cnc(N)s1 ZINC000647492722 419594420 /nfs/dbraw/zinc/59/44/20/419594420.db2.gz VHOVIHIAYYGNLL-UHFFFAOYSA-N 2 1 255.391 0.062 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cnc(N)s1 ZINC000647492722 419594423 /nfs/dbraw/zinc/59/44/23/419594423.db2.gz VHOVIHIAYYGNLL-UHFFFAOYSA-N 2 1 255.391 0.062 20 0 CBADMP CC[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@H]1[NH3+] ZINC000647498695 419594919 /nfs/dbraw/zinc/59/49/19/419594919.db2.gz NHNURCYSRAADGS-ZYHUDNBSSA-N 2 1 280.372 -0.357 20 0 CBADMP C[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)CC[C@H]1[NH3+] ZINC000251763702 419596653 /nfs/dbraw/zinc/59/66/53/419596653.db2.gz LZMQEZDKHORCMI-NXEZZACHSA-N 2 1 268.361 -0.014 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)CC[C@H]1[NH3+] ZINC000251763702 419596666 /nfs/dbraw/zinc/59/66/66/419596666.db2.gz LZMQEZDKHORCMI-NXEZZACHSA-N 2 1 268.361 -0.014 20 0 CBADMP [NH3+][C@@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)C1CCC1 ZINC000399074257 544584124 /nfs/dbraw/zinc/58/41/24/544584124.db2.gz OUSZZTOXHXDZNO-QWHCGFSZSA-N 2 1 266.389 -0.380 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000647549746 419607696 /nfs/dbraw/zinc/60/76/96/419607696.db2.gz PAIPNDCJTDOUQN-QJPTWQEYSA-N 2 1 275.418 -0.145 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000647549749 419608096 /nfs/dbraw/zinc/60/80/96/419608096.db2.gz PAIPNDCJTDOUQN-TUAOUCFPSA-N 2 1 275.418 -0.145 20 0 CBADMP CCS(=O)(=O)NCCC[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549238 419608366 /nfs/dbraw/zinc/60/83/66/419608366.db2.gz ORCMOFVLPNGPJP-QWRGUYRKSA-N 2 1 263.407 -0.097 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)O1 ZINC000662514019 419630291 /nfs/dbraw/zinc/63/02/91/419630291.db2.gz JHQHJSXLPKNEAP-YVECIDJPSA-N 2 1 267.373 -0.084 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000331503647 419661814 /nfs/dbraw/zinc/66/18/14/419661814.db2.gz SLOUMKIVZZUBGI-QWHCGFSZSA-N 2 1 296.415 -0.265 20 0 CBADMP Nc1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccn1 ZINC000647828789 419665204 /nfs/dbraw/zinc/66/52/04/419665204.db2.gz FQPWTXYYXSTCMB-LBPRGKRZSA-N 2 1 277.372 -0.049 20 0 CBADMP C[C@H]1CN(CC[N@@H+](C)CCN2CC[NH2+]CC2)CCO1 ZINC000647836183 419668363 /nfs/dbraw/zinc/66/83/63/419668363.db2.gz JMTOCHZJQKNXRG-AWEZNQCLSA-N 2 1 270.421 -0.456 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655488 419671742 /nfs/dbraw/zinc/67/17/42/419671742.db2.gz IKDBEALTPOHJNX-RYUDHWBXSA-N 2 1 271.361 -0.717 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CC[NH2+]CC2(C)C)CC1 ZINC000647852848 419671918 /nfs/dbraw/zinc/67/19/18/419671918.db2.gz GZZUPGPDMROUCB-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000662665559 419672669 /nfs/dbraw/zinc/67/26/69/419672669.db2.gz LTMJGDPJAMVOMZ-MJBXVCDLSA-N 2 1 297.399 -0.327 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000647865705 419676869 /nfs/dbraw/zinc/67/68/69/419676869.db2.gz QUYXSDQDSDYOBR-JHJVBQTASA-N 2 1 257.378 -0.245 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@@H]1CCO[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000662673552 419676753 /nfs/dbraw/zinc/67/67/53/419676753.db2.gz MWNFMAGMUVMTCL-RDBSUJKOSA-N 2 1 299.415 -0.177 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CN(CC[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000647865705 419676879 /nfs/dbraw/zinc/67/68/79/419676879.db2.gz QUYXSDQDSDYOBR-JHJVBQTASA-N 2 1 257.378 -0.245 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)CC2([NH3+])CC2)CC1 ZINC000662679301 419677020 /nfs/dbraw/zinc/67/70/20/419677020.db2.gz OWVSZQWJYLLKQX-UHFFFAOYSA-N 2 1 268.361 -0.852 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000662673551 419677643 /nfs/dbraw/zinc/67/76/43/419677643.db2.gz MWNFMAGMUVMTCL-MELADBBJSA-N 2 1 299.415 -0.177 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662668357 419678169 /nfs/dbraw/zinc/67/81/69/419678169.db2.gz LHMSUXCGQZCYEP-LLVKDONJSA-N 2 1 282.388 -0.416 20 0 CBADMP CN1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)[C@H](C[NH3+])C1 ZINC000647873513 419679991 /nfs/dbraw/zinc/67/99/91/419679991.db2.gz UYDHXLGDBPGIJB-GHMZBOCLSA-N 2 1 277.372 -0.069 20 0 CBADMP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[N@H+]1CCC[C@H](C)C1 ZINC000662679989 419680543 /nfs/dbraw/zinc/68/05/43/419680543.db2.gz RBSPMDBFURRPBD-QWRGUYRKSA-N 2 1 255.362 -0.443 20 0 CBADMP CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647877062 419681278 /nfs/dbraw/zinc/68/12/78/419681278.db2.gz HBJSIGPCCDMIHY-VXGBXAGGSA-N 2 1 275.418 -0.143 20 0 CBADMP CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647877062 419681284 /nfs/dbraw/zinc/68/12/84/419681284.db2.gz HBJSIGPCCDMIHY-VXGBXAGGSA-N 2 1 275.418 -0.143 20 0 CBADMP [NH3+]C[C@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000647909287 419686546 /nfs/dbraw/zinc/68/65/46/419686546.db2.gz VVLMKCKEYFGVSC-XQQFMLRXSA-N 2 1 255.362 -0.491 20 0 CBADMP [NH3+]C[C@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000647909287 419686556 /nfs/dbraw/zinc/68/65/56/419686556.db2.gz VVLMKCKEYFGVSC-XQQFMLRXSA-N 2 1 255.362 -0.491 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCC[NH3+])CC1 ZINC000414699235 544590217 /nfs/dbraw/zinc/59/02/17/544590217.db2.gz DQMCLEUCEWUAHQ-GFCCVEGCSA-N 2 1 254.378 -0.426 20 0 CBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(O)C[NH2+]C1 ZINC000662695830 419690292 /nfs/dbraw/zinc/69/02/92/419690292.db2.gz PZMPPIVATIYIMA-TUAOUCFPSA-N 2 1 269.389 -0.197 20 0 CBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662695815 419690689 /nfs/dbraw/zinc/69/06/89/419690689.db2.gz PYQDALUJSWTYJY-LLVKDONJSA-N 2 1 269.389 -0.053 20 0 CBADMP CC[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647934360 419692080 /nfs/dbraw/zinc/69/20/80/419692080.db2.gz BVUPBMJUMPHNEJ-OLZOCXBDSA-N 3 1 268.405 -0.133 20 0 CBADMP CC[C@@H]1C[N@H+](CCC(=O)N2CCNCC2)CC[C@@H]1[NH3+] ZINC000647934360 419692087 /nfs/dbraw/zinc/69/20/87/419692087.db2.gz BVUPBMJUMPHNEJ-OLZOCXBDSA-N 2 1 268.405 -0.133 20 0 CBADMP CC[C@@H]1C[N@@H+](CCC(=O)N2CCNCC2)CC[C@@H]1[NH3+] ZINC000647934360 419692089 /nfs/dbraw/zinc/69/20/89/419692089.db2.gz BVUPBMJUMPHNEJ-OLZOCXBDSA-N 2 1 268.405 -0.133 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662704034 419693410 /nfs/dbraw/zinc/69/34/10/419693410.db2.gz SBLHZOQEYYNUGE-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662713319 419697341 /nfs/dbraw/zinc/69/73/41/419697341.db2.gz YWKWCKUUKIZZFT-FRRDWIJNSA-N 2 1 285.388 -0.423 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@@H]1C ZINC000662725292 419700746 /nfs/dbraw/zinc/70/07/46/419700746.db2.gz YUGCBBRPPMWYKY-XQQFMLRXSA-N 2 1 285.388 -0.471 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@@H]1C ZINC000662725292 419700751 /nfs/dbraw/zinc/70/07/51/419700751.db2.gz YUGCBBRPPMWYKY-XQQFMLRXSA-N 2 1 285.388 -0.471 20 0 CBADMP Cc1[nH+]ccn1CCCCNC(=O)C1(O)C[NH2+]C1 ZINC000662742936 419705382 /nfs/dbraw/zinc/70/53/82/419705382.db2.gz IOPFWXNOVMCZDP-UHFFFAOYSA-N 2 1 252.318 -0.578 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662743284 419706794 /nfs/dbraw/zinc/70/67/94/419706794.db2.gz NFZDEYYYIAVILY-VXGBXAGGSA-N 2 1 273.377 -0.565 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662758879 419710215 /nfs/dbraw/zinc/71/02/15/419710215.db2.gz PXZDCZSHIZYZAM-NEPJUHHUSA-N 2 1 268.405 -0.264 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662758886 419710263 /nfs/dbraw/zinc/71/02/63/419710263.db2.gz PXZDCZSHIZYZAM-RYUDHWBXSA-N 2 1 268.405 -0.264 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662758882 419710980 /nfs/dbraw/zinc/71/09/80/419710980.db2.gz PXZDCZSHIZYZAM-NWDGAFQWSA-N 2 1 268.405 -0.264 20 0 CBADMP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000662765872 419713205 /nfs/dbraw/zinc/71/32/05/419713205.db2.gz DICYHBHXFVGDQG-SRVKXCTJSA-N 2 1 280.372 -0.854 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662554757 419641249 /nfs/dbraw/zinc/64/12/49/419641249.db2.gz RFYKEOYFGXMPNP-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000662591823 419646954 /nfs/dbraw/zinc/64/69/54/419646954.db2.gz GDELJIJAWZCPFJ-JTQLQIEISA-N 2 1 270.377 -0.702 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000662591824 419648446 /nfs/dbraw/zinc/64/84/46/419648446.db2.gz GDELJIJAWZCPFJ-SNVBAGLBSA-N 2 1 270.377 -0.702 20 0 CBADMP O=C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCNCC1 ZINC000647799728 419658149 /nfs/dbraw/zinc/65/81/49/419658149.db2.gz PGCAJXZZONCFFS-YNEHKIRRSA-N 2 1 266.389 -0.604 20 0 CBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662794503 419725984 /nfs/dbraw/zinc/72/59/84/419725984.db2.gz RDUPSCHBRQFSEV-OCCSQVGLSA-N 2 1 289.379 -0.043 20 0 CBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])[C@H]2C1 ZINC000662812999 419734754 /nfs/dbraw/zinc/73/47/54/419734754.db2.gz XKWZGKJCZZVQKA-VOAKCMCISA-N 2 1 283.372 -0.718 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648111054 419735879 /nfs/dbraw/zinc/73/58/79/419735879.db2.gz QGJXCQJHMNDJML-ZCFIWIBFSA-N 2 1 257.231 -0.059 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662845221 419744469 /nfs/dbraw/zinc/74/44/69/419744469.db2.gz FUQLVKCEMXLBLC-NEPJUHHUSA-N 2 1 282.388 -0.573 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000662943700 419786597 /nfs/dbraw/zinc/78/65/97/419786597.db2.gz XFMNHXCOOBAFPL-UHFFFAOYSA-N 2 1 270.377 -0.654 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)N1CC[NH+](C)CC1 ZINC000648140655 419751262 /nfs/dbraw/zinc/75/12/62/419751262.db2.gz FSMTVEDGFQLSTF-WOPDTQHZSA-N 2 1 272.368 -0.562 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662941880 419786745 /nfs/dbraw/zinc/78/67/45/419786745.db2.gz RNOGZZSTDIZOHF-LBPRGKRZSA-N 2 1 284.404 -0.406 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000430791999 544592558 /nfs/dbraw/zinc/59/25/58/544592558.db2.gz PNARNXGEQRUTNY-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000648150054 419759780 /nfs/dbraw/zinc/75/97/80/419759780.db2.gz RBWVJMWFZGLYRC-UPJWGTAASA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)COC3(C)C[NH2+]C3)[C@H]2C1 ZINC000648168923 419761924 /nfs/dbraw/zinc/76/19/24/419761924.db2.gz HOVKURKJIYRRJO-NEPJUHHUSA-N 2 1 267.373 -0.083 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000648169057 419762745 /nfs/dbraw/zinc/76/27/45/419762745.db2.gz QJSOAGJJHMUEAY-SCRDCRAPSA-N 2 1 296.415 -0.362 20 0 CBADMP CC1(OCC(=O)NCC[N@H+]2CCCOCC2)C[NH2+]C1 ZINC000648161064 419764500 /nfs/dbraw/zinc/76/45/00/419764500.db2.gz SLWVIVVBPGOZJR-UHFFFAOYSA-N 2 1 271.361 -0.797 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000648176796 419767145 /nfs/dbraw/zinc/76/71/45/419767145.db2.gz NDUUJHYGZMGPOS-STQMWFEESA-N 2 1 276.340 -0.457 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000662944494 419787379 /nfs/dbraw/zinc/78/73/79/419787379.db2.gz NJMTZMQMBYLRKE-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1COCC[NH2+]1 ZINC000648180478 419769640 /nfs/dbraw/zinc/76/96/40/419769640.db2.gz CYMBOXNSFGKEHQ-QWRGUYRKSA-N 2 1 253.346 -0.234 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000662944495 419787473 /nfs/dbraw/zinc/78/74/73/419787473.db2.gz NJMTZMQMBYLRKE-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662925036 419776881 /nfs/dbraw/zinc/77/68/81/419776881.db2.gz JCSVDDYMXCBAFZ-LBPRGKRZSA-N 2 1 298.431 -0.018 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000662926548 419779244 /nfs/dbraw/zinc/77/92/44/419779244.db2.gz PTWQBGPYBPHDLW-GFCCVEGCSA-N 2 1 284.404 -0.406 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])[C@H](C)C1 ZINC000662937013 419784069 /nfs/dbraw/zinc/78/40/69/419784069.db2.gz DPSCKWQXICWPMY-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CCC[NH3+] ZINC000662935963 419785615 /nfs/dbraw/zinc/78/56/15/419785615.db2.gz BUZGMIUZNVTUNY-LBPRGKRZSA-N 2 1 284.404 -0.408 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CCC[NH3+] ZINC000662935963 419785617 /nfs/dbraw/zinc/78/56/17/419785617.db2.gz BUZGMIUZNVTUNY-LBPRGKRZSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)N1CC[NH+](C)CC1 ZINC000662985477 419804280 /nfs/dbraw/zinc/80/42/80/419804280.db2.gz VIIZUDNKIAXEGW-UWVGGRQHSA-N 2 1 296.337 -0.030 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662978421 419804466 /nfs/dbraw/zinc/80/44/66/419804466.db2.gz PIZWVRYRZRQHSF-UHFFFAOYSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H](C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)N1CC[NH+](C)CC1 ZINC000662985478 419804889 /nfs/dbraw/zinc/80/48/89/419804889.db2.gz VIIZUDNKIAXEGW-VHSXEESVSA-N 2 1 296.337 -0.030 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000518471630 544601564 /nfs/dbraw/zinc/60/15/64/544601564.db2.gz XBYLKIMXNUIVQO-KBPBESRZSA-N 2 1 273.421 -0.191 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)C1=O ZINC000663221552 419830071 /nfs/dbraw/zinc/83/00/71/419830071.db2.gz PRECFBCLGDBTOY-AGIUHOORSA-N 2 1 295.383 -0.356 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000353046286 419832665 /nfs/dbraw/zinc/83/26/65/419832665.db2.gz SYQQCTJPBANPIN-UHFFFAOYSA-N 2 1 270.377 -0.783 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000662961716 419796099 /nfs/dbraw/zinc/79/60/99/419796099.db2.gz HHIXGIYOTYWDIT-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649318556 419877462 /nfs/dbraw/zinc/87/74/62/419877462.db2.gz VVDTYPJZYHTWPB-XQQFMLRXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C[NH+]1CCOCC1 ZINC000649312422 419877541 /nfs/dbraw/zinc/87/75/41/419877541.db2.gz PASKXWRSPLOGSO-NDBYEHHHSA-N 2 1 267.373 -0.464 20 0 CBADMP O=C([C@H]1CCC[NH2+]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649321128 419882780 /nfs/dbraw/zinc/88/27/80/419882780.db2.gz MMLYOPMBGFGOBR-AGIUHOORSA-N 2 1 267.373 -0.204 20 0 CBADMP [NH3+]C1(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCC1 ZINC000649321429 419883077 /nfs/dbraw/zinc/88/30/77/419883077.db2.gz XLAZPVFXTVPDSK-VXGBXAGGSA-N 2 1 267.373 -0.075 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000664219320 419889274 /nfs/dbraw/zinc/88/92/74/419889274.db2.gz RPXWAOMUQYKLFE-CYDGBPFRSA-N 2 1 284.404 -0.215 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)COC2(C)C[NH2+]C2)n1C ZINC000649331788 419890384 /nfs/dbraw/zinc/89/03/84/419890384.db2.gz XEXWRYOJXVUXJU-UHFFFAOYSA-N 2 1 281.360 -0.519 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCOCC1 ZINC000649285002 419863565 /nfs/dbraw/zinc/86/35/65/419863565.db2.gz SFVXYXBERKCPTR-RFQIPJPRSA-N 2 1 281.400 -0.075 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000649374091 419906587 /nfs/dbraw/zinc/90/65/87/419906587.db2.gz QUDBHXHEWPHTCV-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1nccn1C ZINC000667251667 544657687 /nfs/dbraw/zinc/65/76/87/544657687.db2.gz RPILXLAUWSEEML-GXFFZTMASA-N 2 1 281.360 -0.153 20 0 CBADMP C[C@H](NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1nccn1C ZINC000667251666 544657810 /nfs/dbraw/zinc/65/78/10/544657810.db2.gz RPILXLAUWSEEML-GWCFXTLKSA-N 2 1 281.360 -0.153 20 0 CBADMP CCC[C@H]1CN(C(=O)COCC[NH3+])CC[N@H+]1CCOC ZINC000649379117 419906878 /nfs/dbraw/zinc/90/68/78/419906878.db2.gz LAVICPWQLYOTEG-ZDUSSCGKSA-N 2 1 287.404 -0.079 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000649348784 419899691 /nfs/dbraw/zinc/89/96/91/419899691.db2.gz UXUNGFSHQRYPKX-CMPLNLGQSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@H](C[NH+](C)C)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000358523524 419899708 /nfs/dbraw/zinc/89/97/08/419899708.db2.gz LOWGTAPAWRHPIC-VXGBXAGGSA-N 2 1 299.419 -0.425 20 0 CBADMP C[NH+](C)C1(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000667940474 544677861 /nfs/dbraw/zinc/67/78/61/544677861.db2.gz DRUHVZCLPYBFPL-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)C1 ZINC000649352855 419902830 /nfs/dbraw/zinc/90/28/30/419902830.db2.gz QQCCZLRUANHQEK-BYNSBNAKSA-N 2 1 292.427 -0.310 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664407374 419904161 /nfs/dbraw/zinc/90/41/61/419904161.db2.gz WWWNXLMGHGDXQE-PYJNHQTQSA-N 2 1 296.415 -0.215 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)C1 ZINC000649352759 419905225 /nfs/dbraw/zinc/90/52/25/419905225.db2.gz IUQLPBAOJRCMMR-BARDWOONSA-N 2 1 292.427 -0.025 20 0 CBADMP CCC[C@@H]1CN(C(=O)COCC[NH3+])CC[N@H+]1CCOC ZINC000649379116 419908087 /nfs/dbraw/zinc/90/80/87/419908087.db2.gz LAVICPWQLYOTEG-CYBMUJFWSA-N 2 1 287.404 -0.079 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(CCC[NH+]2CCOCC2)CCO1 ZINC000649410318 419908915 /nfs/dbraw/zinc/90/89/15/419908915.db2.gz LZMGQCRHTVTZMQ-STQMWFEESA-N 2 1 257.378 -0.243 20 0 CBADMP CCN(C(=O)C(=O)NCC[NH+](CC)CC)[C@@H]1CC[N@@H+](C)C1 ZINC000668327865 544692695 /nfs/dbraw/zinc/69/26/95/544692695.db2.gz IVNBTVLXXCXKOL-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C(=O)C(=O)NCC[NH+](CC)CC)[C@H]1CC[N@@H+](C)C1 ZINC000668327866 544692760 /nfs/dbraw/zinc/69/27/60/544692760.db2.gz IVNBTVLXXCXKOL-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C(=O)C(=O)NC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668361859 544695655 /nfs/dbraw/zinc/69/56/55/544695655.db2.gz KUTIUZGBHDDQTI-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1C[C@@H](C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC[NH2+]1 ZINC000358698583 419912522 /nfs/dbraw/zinc/91/25/22/419912522.db2.gz UZDNNXLEWIPMNJ-FRRDWIJNSA-N 2 1 296.415 -0.170 20 0 CBADMP CN1CCC[N@@H+](CC(O)CN2CCC[NH+](C)CC2)CC1 ZINC000664719920 419914566 /nfs/dbraw/zinc/91/45/66/419914566.db2.gz RYZQRRMZEQFWCL-UHFFFAOYSA-N 2 1 284.448 -0.378 20 0 CBADMP CN1CCC[NH+](CC(O)CN2CCC[N@H+](C)CC2)CC1 ZINC000664719920 419914569 /nfs/dbraw/zinc/91/45/69/419914569.db2.gz RYZQRRMZEQFWCL-UHFFFAOYSA-N 2 1 284.448 -0.378 20 0 CBADMP CN1CCC[NH+](CC(O)CN2CCC[N@@H+](C)CC2)CC1 ZINC000664719920 419914572 /nfs/dbraw/zinc/91/45/72/419914572.db2.gz RYZQRRMZEQFWCL-UHFFFAOYSA-N 2 1 284.448 -0.378 20 0 CBADMP C[NH+]1CCCN(CC(O)CN2CCC[N@@H+](C)CC2)CC1 ZINC000664719920 419914576 /nfs/dbraw/zinc/91/45/76/419914576.db2.gz RYZQRRMZEQFWCL-UHFFFAOYSA-N 2 1 284.448 -0.378 20 0 CBADMP C[NH+]1CCCN(CC(O)CN2CCC[N@H+](C)CC2)CC1 ZINC000664719920 419914578 /nfs/dbraw/zinc/91/45/78/419914578.db2.gz RYZQRRMZEQFWCL-UHFFFAOYSA-N 2 1 284.448 -0.378 20 0 CBADMP CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000668670162 544713757 /nfs/dbraw/zinc/71/37/57/544713757.db2.gz IFWBXIWNANNJKU-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CN1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@@H](C[NH3+])C1 ZINC000669403088 544749529 /nfs/dbraw/zinc/74/95/29/544749529.db2.gz ISZQIRQDZQPWEF-NEPJUHHUSA-N 2 1 269.393 -0.635 20 0 CBADMP O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491142 544751290 /nfs/dbraw/zinc/75/12/90/544751290.db2.gz NDNIAAZACBUSEU-CHWSQXEVSA-N 2 1 282.388 -0.242 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491275 544751303 /nfs/dbraw/zinc/75/13/03/544751303.db2.gz SGTYAHPBYGOLSM-NDBYEHHHSA-N 2 1 264.373 -0.012 20 0 CBADMP C[C@@H](NC(=O)NCC1([NH3+])CCC1)[C@H]1C[N@H+](C)CCO1 ZINC000669538275 544752769 /nfs/dbraw/zinc/75/27/69/544752769.db2.gz HWRKJHJITIGAGC-GHMZBOCLSA-N 2 1 270.377 -0.114 20 0 CBADMP C[C@@H](NC(=O)NCC1([NH3+])CCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538275 544752774 /nfs/dbraw/zinc/75/27/74/544752774.db2.gz HWRKJHJITIGAGC-GHMZBOCLSA-N 2 1 270.377 -0.114 20 0 CBADMP C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1C[N@H+](C)CCO1 ZINC000669538149 544752795 /nfs/dbraw/zinc/75/27/95/544752795.db2.gz AGTVVJLSAJCZJR-IJLUTSLNSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538149 544752797 /nfs/dbraw/zinc/75/27/97/544752797.db2.gz AGTVVJLSAJCZJR-IJLUTSLNSA-N 2 1 270.377 -0.243 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000669538489 544754515 /nfs/dbraw/zinc/75/45/15/544754515.db2.gz TXRZSYIMLOVKQL-QJPTWQEYSA-N 2 1 272.393 -0.012 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000669538489 544754518 /nfs/dbraw/zinc/75/45/18/544754518.db2.gz TXRZSYIMLOVKQL-QJPTWQEYSA-N 2 1 272.393 -0.012 20 0 CBADMP C[C@H](NC(=O)N(C)C1CC([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000669538342 544754553 /nfs/dbraw/zinc/75/45/53/544754553.db2.gz MLYZRNQRIMFFFB-WNYYMSAVSA-N 2 1 270.377 -0.163 20 0 CBADMP C[C@H](NC(=O)N(C)C1CC([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538342 544754557 /nfs/dbraw/zinc/75/45/57/544754557.db2.gz MLYZRNQRIMFFFB-WNYYMSAVSA-N 2 1 270.377 -0.163 20 0 CBADMP Cc1[nH+]ccn1CCN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685465 419927303 /nfs/dbraw/zinc/92/73/03/419927303.db2.gz AEQQDYOGXFCLPX-UHFFFAOYSA-N 2 1 279.388 -0.103 20 0 CBADMP C[C@@H](CCO)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000649870459 419935178 /nfs/dbraw/zinc/93/51/78/419935178.db2.gz AAFHYTQLGWIIDU-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@@H](CCO)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000649870459 419935183 /nfs/dbraw/zinc/93/51/83/419935183.db2.gz AAFHYTQLGWIIDU-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCNC1=O ZINC000665326963 419940000 /nfs/dbraw/zinc/94/00/00/419940000.db2.gz JLCYMUYUNPRVFI-RYUDHWBXSA-N 2 1 299.419 -0.554 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCNC1=O ZINC000665326963 419940004 /nfs/dbraw/zinc/94/00/04/419940004.db2.gz JLCYMUYUNPRVFI-RYUDHWBXSA-N 2 1 299.419 -0.554 20 0 CBADMP CN(C)S(=O)(=O)CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359285861 419957458 /nfs/dbraw/zinc/95/74/58/419957458.db2.gz WTISFTKZTGQDLW-GHMZBOCLSA-N 2 1 261.391 -0.581 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000359307695 419957672 /nfs/dbraw/zinc/95/76/72/419957672.db2.gz NYLNLXSQCBIMLC-BFHYXJOUSA-N 2 1 280.416 -0.310 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000359344470 419958487 /nfs/dbraw/zinc/95/84/87/419958487.db2.gz PRBNAIBKBIKPHO-UHFFFAOYSA-N 2 1 284.404 -0.439 20 0 CBADMP C[NH+]1CCC(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000650561742 419962811 /nfs/dbraw/zinc/96/28/11/419962811.db2.gz YCGJINYZNXAHBS-CYBMUJFWSA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+]1CCC(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000650561742 419962815 /nfs/dbraw/zinc/96/28/15/419962815.db2.gz YCGJINYZNXAHBS-CYBMUJFWSA-N 2 1 282.388 -0.459 20 0 CBADMP COCC[NH+]1CCC([NH2+]CCCNS(C)(=O)=O)CC1 ZINC000359679130 419978320 /nfs/dbraw/zinc/97/83/20/419978320.db2.gz RACRPAYWSBQSNF-UHFFFAOYSA-N 2 1 293.433 -0.374 20 0 CBADMP C[NH+](C)C1(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CCC1 ZINC000651048694 419980662 /nfs/dbraw/zinc/98/06/62/419980662.db2.gz ROSQGHTWUOGQJH-CYBMUJFWSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH+](C)C1(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CCC1 ZINC000651048694 419980666 /nfs/dbraw/zinc/98/06/66/419980666.db2.gz ROSQGHTWUOGQJH-CYBMUJFWSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[N@H+]1CCC[C@H](C)C1 ZINC000364214867 420031502 /nfs/dbraw/zinc/03/15/02/420031502.db2.gz MPFABAJCRQHCAK-UMSGYPCISA-N 2 1 269.389 -0.054 20 0 CBADMP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CNC(=O)C[NH3+] ZINC000364223957 420032272 /nfs/dbraw/zinc/03/22/72/420032272.db2.gz BVGQNALPFOFJKH-QWRGUYRKSA-N 2 1 268.361 -0.854 20 0 CBADMP COC[C@H](C)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891382 420042095 /nfs/dbraw/zinc/04/20/95/420042095.db2.gz TZOXSXGTPOABFH-GFCCVEGCSA-N 2 1 257.378 -0.025 20 0 CBADMP COC[C@H](C)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891382 420042102 /nfs/dbraw/zinc/04/21/02/420042102.db2.gz TZOXSXGTPOABFH-GFCCVEGCSA-N 2 1 257.378 -0.025 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652237083 420054463 /nfs/dbraw/zinc/05/44/63/420054463.db2.gz GFWNTUAUSWQHMI-ZDUSSCGKSA-N 2 1 270.377 -0.519 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000365106284 420054970 /nfs/dbraw/zinc/05/49/70/420054970.db2.gz UHERHYBXYOENSU-YNEHKIRRSA-N 2 1 269.389 -0.054 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](N(C)Cc2noc(C)n2)C1 ZINC000652339337 420057365 /nfs/dbraw/zinc/05/73/65/420057365.db2.gz OAAQUWSVSOYTGD-TZMCWYRMSA-N 2 1 297.403 -0.145 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](N(C)Cc2noc(C)n2)C1 ZINC000652339337 420057369 /nfs/dbraw/zinc/05/73/69/420057369.db2.gz OAAQUWSVSOYTGD-TZMCWYRMSA-N 2 1 297.403 -0.145 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351901 420059122 /nfs/dbraw/zinc/05/91/22/420059122.db2.gz GZMJAKDTXWWPLB-RYUDHWBXSA-N 2 1 275.418 -0.014 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000365332441 420060620 /nfs/dbraw/zinc/06/06/20/420060620.db2.gz SRVPZLWWEVTWGY-QNWHQSFQSA-N 2 1 285.388 -0.675 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000365602587 420063668 /nfs/dbraw/zinc/06/36/68/420063668.db2.gz OJFKTDSCWHXOKS-RDBSUJKOSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000365602587 420063671 /nfs/dbraw/zinc/06/36/71/420063671.db2.gz OJFKTDSCWHXOKS-RDBSUJKOSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000365602587 420063674 /nfs/dbraw/zinc/06/36/74/420063674.db2.gz OJFKTDSCWHXOKS-RDBSUJKOSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000365602587 420063678 /nfs/dbraw/zinc/06/36/78/420063678.db2.gz OJFKTDSCWHXOKS-RDBSUJKOSA-N 2 1 297.399 -0.314 20 0 CBADMP C[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000652464802 420066565 /nfs/dbraw/zinc/06/65/65/420066565.db2.gz CUXPJZNDXGVBFL-QJPTWQEYSA-N 2 1 272.393 -0.045 20 0 CBADMP C[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000652464802 420066570 /nfs/dbraw/zinc/06/65/70/420066570.db2.gz CUXPJZNDXGVBFL-QJPTWQEYSA-N 2 1 272.393 -0.045 20 0 CBADMP CC[C@@H](C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000652890499 420094479 /nfs/dbraw/zinc/09/44/79/420094479.db2.gz BSOJYDJHJDSFET-NEPJUHHUSA-N 2 1 255.362 -0.396 20 0 CBADMP CC[C@@H](C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000652890499 420094482 /nfs/dbraw/zinc/09/44/82/420094482.db2.gz BSOJYDJHJDSFET-NEPJUHHUSA-N 2 1 255.362 -0.396 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000367304850 420103812 /nfs/dbraw/zinc/10/38/12/420103812.db2.gz HOOYFMBUCOTGPQ-OAHLLOKOSA-N 2 1 297.399 -0.358 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000367304850 420103813 /nfs/dbraw/zinc/10/38/13/420103813.db2.gz HOOYFMBUCOTGPQ-OAHLLOKOSA-N 2 1 297.399 -0.358 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CCCOCC2)CC1 ZINC000367298154 420103895 /nfs/dbraw/zinc/10/38/95/420103895.db2.gz IFVFBHWKGAWCPV-UHFFFAOYSA-N 2 1 255.362 -0.127 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCOCC2)CC1 ZINC000367298154 420103897 /nfs/dbraw/zinc/10/38/97/420103897.db2.gz IFVFBHWKGAWCPV-UHFFFAOYSA-N 2 1 255.362 -0.127 20 0 CBADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H](C)C[NH3+])CC2)C1 ZINC000367642047 420112306 /nfs/dbraw/zinc/11/23/06/420112306.db2.gz GOWDDVQINQNLRX-KGLIPLIRSA-N 2 1 298.431 -0.554 20 0 CBADMP CC[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H](C)C[NH3+])CC2)C1 ZINC000367642047 420112310 /nfs/dbraw/zinc/11/23/10/420112310.db2.gz GOWDDVQINQNLRX-KGLIPLIRSA-N 2 1 298.431 -0.554 20 0 CBADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H](C)C[NH3+])CC2)C1 ZINC000367642046 420113562 /nfs/dbraw/zinc/11/35/62/420113562.db2.gz GOWDDVQINQNLRX-KBPBESRZSA-N 2 1 298.431 -0.554 20 0 CBADMP CC[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H](C)C[NH3+])CC2)C1 ZINC000367642046 420113563 /nfs/dbraw/zinc/11/35/63/420113563.db2.gz GOWDDVQINQNLRX-KBPBESRZSA-N 2 1 298.431 -0.554 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000653112615 420115816 /nfs/dbraw/zinc/11/58/16/420115816.db2.gz DEDAAPZDFMJJSX-ZYHUDNBSSA-N 2 1 254.378 -0.382 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653105144 420116819 /nfs/dbraw/zinc/11/68/19/420116819.db2.gz HSVWKIDIQVPUAN-NEPJUHHUSA-N 2 1 256.394 -0.134 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653110407 420117254 /nfs/dbraw/zinc/11/72/54/420117254.db2.gz HVHSCWDJLLEJJZ-OBJOEFQTSA-N 2 1 267.373 -0.320 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653117333 420118411 /nfs/dbraw/zinc/11/84/11/420118411.db2.gz IUYYYTWCIDDARZ-GUTXKFCHSA-N 2 1 279.384 -0.177 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653116841 420118796 /nfs/dbraw/zinc/11/87/96/420118796.db2.gz WENLMTXJZQXSRT-OLZOCXBDSA-N 2 1 286.420 -0.508 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000653116842 420120576 /nfs/dbraw/zinc/12/05/76/420120576.db2.gz WENLMTXJZQXSRT-QWHCGFSZSA-N 2 1 286.420 -0.508 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653123670 420120679 /nfs/dbraw/zinc/12/06/79/420120679.db2.gz DASQMPGYHLQMAI-OICBVUGWSA-N 2 1 279.384 -0.179 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[NH2+]C[C@@H]2C(F)F)O1 ZINC000368009909 420121803 /nfs/dbraw/zinc/12/18/03/420121803.db2.gz YFTNOBCEKXTOKW-HLTSFMKQSA-N 2 1 263.288 -0.442 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000653144424 420122963 /nfs/dbraw/zinc/12/29/63/420122963.db2.gz SKZLYXHRWOYISC-ZYHUDNBSSA-N 2 1 260.357 -0.575 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653144146 420123516 /nfs/dbraw/zinc/12/35/16/420123516.db2.gz FAIVGKUARPAFFK-DRZSPHRISA-N 2 1 271.336 -0.618 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653155879 420124416 /nfs/dbraw/zinc/12/44/16/420124416.db2.gz JWJYFCMIQALKKS-FZMZJTMJSA-N 2 1 267.373 -0.225 20 0 CBADMP CCO[C@@H]1CN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000653247865 420130479 /nfs/dbraw/zinc/13/04/79/420130479.db2.gz VXBRLWCGQWNGKX-BFHYXJOUSA-N 2 1 298.431 -0.556 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC(CC[NH3+])CC1)C1CC1 ZINC000652674838 420071157 /nfs/dbraw/zinc/07/11/57/420071157.db2.gz HEKJBNWHVRYODE-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000652705230 420076109 /nfs/dbraw/zinc/07/61/09/420076109.db2.gz CCAPUYKDEPQZIY-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652714391 420077386 /nfs/dbraw/zinc/07/73/86/420077386.db2.gz JZDDRXZNNLVCJK-LLVKDONJSA-N 2 1 282.388 -0.558 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000672754330 544859863 /nfs/dbraw/zinc/85/98/63/544859863.db2.gz ADWFWNLHCVUPNW-STQMWFEESA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672754330 544859869 /nfs/dbraw/zinc/85/98/69/544859869.db2.gz ADWFWNLHCVUPNW-STQMWFEESA-N 2 1 284.404 -0.211 20 0 CBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C(C)(C)[NH3+])CC2)C1 ZINC000370780187 420187923 /nfs/dbraw/zinc/18/79/23/420187923.db2.gz QZQRDCPBYRNFJR-CYBMUJFWSA-N 2 1 298.431 -0.411 20 0 CBADMP CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)C(C)(C)[NH3+])CC2)C1 ZINC000370780187 420187933 /nfs/dbraw/zinc/18/79/33/420187933.db2.gz QZQRDCPBYRNFJR-CYBMUJFWSA-N 2 1 298.431 -0.411 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000370780530 420188059 /nfs/dbraw/zinc/18/80/59/420188059.db2.gz SVHKDPCSCOWFAO-CQSZACIVSA-N 2 1 286.395 -0.168 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC000368964975 420147895 /nfs/dbraw/zinc/14/78/95/420147895.db2.gz IIWUISMDLIBSLL-GFCCVEGCSA-N 2 1 280.372 -0.124 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397385717 420215620 /nfs/dbraw/zinc/21/56/20/420215620.db2.gz LUNOJBNVAVBCMM-AEJSXWLSSA-N 2 1 256.350 -0.253 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000653623813 420151714 /nfs/dbraw/zinc/15/17/14/420151714.db2.gz OLXBVYRNWCPOKQ-CHWSQXEVSA-N 2 1 283.376 -0.536 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C2(COC)CC[NH2+]CC2)C1 ZINC000369100545 420151831 /nfs/dbraw/zinc/15/18/31/420151831.db2.gz PQGPKPPLNVOVEP-ZDUSSCGKSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCN([C@@H]2CCOC2)CC1 ZINC000653589303 420152398 /nfs/dbraw/zinc/15/23/98/420152398.db2.gz GGUALEKFMICOBY-ZIAGYGMSSA-N 2 1 271.405 -0.295 20 0 CBADMP CC[N@H+](C)C[C@@H](O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000653589303 420152401 /nfs/dbraw/zinc/15/24/01/420152401.db2.gz GGUALEKFMICOBY-ZIAGYGMSSA-N 2 1 271.405 -0.295 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000653589303 420152403 /nfs/dbraw/zinc/15/24/03/420152403.db2.gz GGUALEKFMICOBY-ZIAGYGMSSA-N 2 1 271.405 -0.295 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)CO ZINC000653617699 420152503 /nfs/dbraw/zinc/15/25/03/420152503.db2.gz WNOQSTZKPPDHBG-OLZOCXBDSA-N 2 1 260.378 -0.228 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)CO ZINC000653617698 420153725 /nfs/dbraw/zinc/15/37/25/420153725.db2.gz WNOQSTZKPPDHBG-CHWSQXEVSA-N 2 1 260.378 -0.228 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397385717 420215628 /nfs/dbraw/zinc/21/56/28/420215628.db2.gz LUNOJBNVAVBCMM-AEJSXWLSSA-N 2 1 256.350 -0.253 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](CO)(COC)C1 ZINC000653755101 420158930 /nfs/dbraw/zinc/15/89/30/420158930.db2.gz CHYDATRNBMTGDL-QWHCGFSZSA-N 2 1 260.378 -0.370 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](CO)(COC)C1 ZINC000653755101 420158937 /nfs/dbraw/zinc/15/89/37/420158937.db2.gz CHYDATRNBMTGDL-QWHCGFSZSA-N 2 1 260.378 -0.370 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](CO)(COC)C1 ZINC000653755101 420158939 /nfs/dbraw/zinc/15/89/39/420158939.db2.gz CHYDATRNBMTGDL-QWHCGFSZSA-N 2 1 260.378 -0.370 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](CO)(COC)C1 ZINC000653755101 420158946 /nfs/dbraw/zinc/15/89/46/420158946.db2.gz CHYDATRNBMTGDL-QWHCGFSZSA-N 2 1 260.378 -0.370 20 0 CBADMP CCN1CCO[C@@H](C(=O)NCC[N@@H+](C)CCOC)C1 ZINC000369679824 420163319 /nfs/dbraw/zinc/16/33/19/420163319.db2.gz XYLTUINLSSTNJJ-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CCOC)C1 ZINC000369679824 420163323 /nfs/dbraw/zinc/16/33/23/420163323.db2.gz XYLTUINLSSTNJJ-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CCOC)C1 ZINC000369679824 420163326 /nfs/dbraw/zinc/16/33/26/420163326.db2.gz XYLTUINLSSTNJJ-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)CCOC)C1 ZINC000369679824 420163331 /nfs/dbraw/zinc/16/33/31/420163331.db2.gz XYLTUINLSSTNJJ-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCCN2CCOCC2)C1 ZINC000369690604 420164251 /nfs/dbraw/zinc/16/42/51/420164251.db2.gz WQTDADRCZCRYDM-CYBMUJFWSA-N 2 1 285.388 -0.454 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000370224154 420173265 /nfs/dbraw/zinc/17/32/65/420173265.db2.gz YCGVRGSVGDZQPQ-QJPTWQEYSA-N 2 1 255.362 -0.300 20 0 CBADMP CC[NH+](CC)CCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654344535 420173635 /nfs/dbraw/zinc/17/36/35/420173635.db2.gz OEXRLXIXLUGPBM-QWHCGFSZSA-N 2 1 284.404 -0.211 20 0 CBADMP CCO[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C[NH3+] ZINC000405557079 420229315 /nfs/dbraw/zinc/22/93/15/420229315.db2.gz BKKFZEQILLNSHR-GHMZBOCLSA-N 2 1 298.387 -0.388 20 0 CBADMP CCO[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C[NH3+] ZINC000405557079 420229319 /nfs/dbraw/zinc/22/93/19/420229319.db2.gz BKKFZEQILLNSHR-GHMZBOCLSA-N 2 1 298.387 -0.388 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000655245221 420233483 /nfs/dbraw/zinc/23/34/83/420233483.db2.gz FVPAMFDUFDDXRH-HZSPNIEDSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655244179 420234034 /nfs/dbraw/zinc/23/40/34/420234034.db2.gz NRZOHJYHPIFDSJ-FQUUOJAGSA-N 2 1 299.415 -0.069 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655244179 420234039 /nfs/dbraw/zinc/23/40/39/420234039.db2.gz NRZOHJYHPIFDSJ-FQUUOJAGSA-N 2 1 299.415 -0.069 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655295116 420237208 /nfs/dbraw/zinc/23/72/08/420237208.db2.gz SMLMJCVCHNBVNX-GRYCIOLGSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655295116 420237210 /nfs/dbraw/zinc/23/72/10/420237210.db2.gz SMLMJCVCHNBVNX-GRYCIOLGSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655295116 420237212 /nfs/dbraw/zinc/23/72/12/420237212.db2.gz SMLMJCVCHNBVNX-GRYCIOLGSA-N 2 1 253.346 -0.785 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296659 420241564 /nfs/dbraw/zinc/24/15/64/420241564.db2.gz PEOKLECVODPDPM-MELADBBJSA-N 2 1 297.399 -0.768 20 0 CBADMP CC(C)[C@@H](CNC(=O)N[C@H](C)C[NH3+])[NH+]1CCOCC1 ZINC000416942401 420241820 /nfs/dbraw/zinc/24/18/20/420241820.db2.gz RYEZYLZXZQLRBW-VXGBXAGGSA-N 2 1 272.393 -0.010 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418568862 420242414 /nfs/dbraw/zinc/24/24/14/420242414.db2.gz BPCRKPRQINCVOS-VXGBXAGGSA-N 2 1 272.393 -0.130 20 0 CBADMP C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C[C@@H]1C[NH3+] ZINC000419111740 420243987 /nfs/dbraw/zinc/24/39/87/420243987.db2.gz UNLUOZBAQYQGPN-NEPJUHHUSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C[C@H](C)[NH2+]1 ZINC000419103055 420244147 /nfs/dbraw/zinc/24/41/47/420244147.db2.gz LLXISEDRJJMURL-QWRGUYRKSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419524952 420245945 /nfs/dbraw/zinc/24/59/45/420245945.db2.gz QQYCJGJBNZFBST-NEPJUHHUSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000420053756 420247508 /nfs/dbraw/zinc/24/75/08/420247508.db2.gz XNOIKAVTYIGODP-UPJWGTAASA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000419991900 420248181 /nfs/dbraw/zinc/24/81/81/420248181.db2.gz JAIPJNWEYFEHIU-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420093305 420248281 /nfs/dbraw/zinc/24/82/81/420248281.db2.gz PKYFHGAVAJHKIX-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000655448814 420249255 /nfs/dbraw/zinc/24/92/55/420249255.db2.gz YGIBJKZHFZFSGM-STQMWFEESA-N 2 1 284.404 -0.883 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000420154053 420249326 /nfs/dbraw/zinc/24/93/26/420249326.db2.gz HXIZKUVKMIBDRU-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]([NH3+])[C@@H](C)Nc1cc[nH+]c(N2CCOCC2)n1 ZINC000420254551 420250962 /nfs/dbraw/zinc/25/09/62/420250962.db2.gz ABHJSDVRLHKIJQ-NXEZZACHSA-N 2 1 251.334 0.461 20 0 CBADMP C[C@H](O)CNc1cc(NC[C@@H]2C[NH2+]CCN2C)nc[nH+]1 ZINC000420275612 420251524 /nfs/dbraw/zinc/25/15/24/420251524.db2.gz OGXLVBVTADAEHH-QWRGUYRKSA-N 2 1 280.376 -0.415 20 0 CBADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000420345924 420252505 /nfs/dbraw/zinc/25/25/05/420252505.db2.gz WVXDKIMSGLYJTC-QWHCGFSZSA-N 2 1 294.399 -0.734 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000423135473 420256354 /nfs/dbraw/zinc/25/63/54/420256354.db2.gz UCNPFDFVGMXPRK-UHFFFAOYSA-N 2 1 282.388 -0.782 20 0 CBADMP CC(C)NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430607154 420272137 /nfs/dbraw/zinc/27/21/37/420272137.db2.gz XKYYCPNFKMUAEL-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(C)S(=O)(=O)CCC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430592538 420273464 /nfs/dbraw/zinc/27/34/64/420273464.db2.gz NCFAGLRHPBGXGW-NSHDSACASA-N 2 1 263.407 -0.015 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655916741 420275923 /nfs/dbraw/zinc/27/59/23/420275923.db2.gz HMLFQJBUNWXJHH-IUCAKERBSA-N 2 1 298.309 -0.104 20 0 CBADMP C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000655919855 420277973 /nfs/dbraw/zinc/27/79/73/420277973.db2.gz GBXWMLYPVMMNBB-DJLDLDEBSA-N 2 1 298.309 -0.106 20 0 CBADMP C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000655919855 420277976 /nfs/dbraw/zinc/27/79/76/420277976.db2.gz GBXWMLYPVMMNBB-DJLDLDEBSA-N 2 1 298.309 -0.106 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655927167 420280985 /nfs/dbraw/zinc/28/09/85/420280985.db2.gz GNICHNFPIVLKBS-IUCAKERBSA-N 2 1 298.309 -0.416 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655964115 420282177 /nfs/dbraw/zinc/28/21/77/420282177.db2.gz OTXDKZSRPIMOGE-SDDRHHMPSA-N 2 1 268.361 -0.801 20 0 CBADMP O=C(NCC[NH2+]C1CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963156 420282266 /nfs/dbraw/zinc/28/22/66/420282266.db2.gz WQGNGANKRMKZDM-NWDGAFQWSA-N 2 1 268.361 -0.801 20 0 CBADMP [NH3+]C[C@@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C(F)(F)F ZINC000655933084 420282645 /nfs/dbraw/zinc/28/26/45/420282645.db2.gz GGWIPETYPRTDFX-DJLDLDEBSA-N 2 1 296.293 -0.664 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655962855 420283333 /nfs/dbraw/zinc/28/33/33/420283333.db2.gz SIBOMYYAJBSGIV-FRRDWIJNSA-N 2 1 282.388 -0.554 20 0 CBADMP [NH3+][C@H]1CCC[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655966412 420284094 /nfs/dbraw/zinc/28/40/94/420284094.db2.gz WGVWXWMBIFKKEC-ZDEQEGDKSA-N 2 1 282.388 -0.283 20 0 CBADMP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968920 420284496 /nfs/dbraw/zinc/28/44/96/420284496.db2.gz BBYRCURTRFOPGY-MELADBBJSA-N 2 1 296.415 -0.021 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655966409 420284710 /nfs/dbraw/zinc/28/47/10/420284710.db2.gz WGVWXWMBIFKKEC-FVCCEPFGSA-N 2 1 282.388 -0.283 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655970711 420285656 /nfs/dbraw/zinc/28/56/56/420285656.db2.gz XABCYBOPSRSMNE-FIQHERPVSA-N 2 1 270.377 -0.427 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968130 420285665 /nfs/dbraw/zinc/28/56/65/420285665.db2.gz NDBKFQMQBWVTRX-OUAUKWLOSA-N 2 1 256.350 -0.816 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000673517871 544876435 /nfs/dbraw/zinc/87/64/35/544876435.db2.gz XVIHKRFPEGLKFV-CHWSQXEVSA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673517871 544876439 /nfs/dbraw/zinc/87/64/39/544876439.db2.gz XVIHKRFPEGLKFV-CHWSQXEVSA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673517871 544876442 /nfs/dbraw/zinc/87/64/42/544876442.db2.gz XVIHKRFPEGLKFV-CHWSQXEVSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](Cn1cncn1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000657868981 420364264 /nfs/dbraw/zinc/36/42/64/420364264.db2.gz FHTLPNZSDRKOCF-LBPRGKRZSA-N 2 1 280.376 -0.580 20 0 CBADMP [NH3+]CCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656019145 420291692 /nfs/dbraw/zinc/29/16/92/420291692.db2.gz AEVXZHQANGMXRE-RYUDHWBXSA-N 2 1 282.388 -0.416 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656021704 420292884 /nfs/dbraw/zinc/29/28/84/420292884.db2.gz HFWZGZQFBSGFJG-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656019812 420292939 /nfs/dbraw/zinc/29/29/39/420292939.db2.gz KBRNBIDAERYCPM-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656023180 420293068 /nfs/dbraw/zinc/29/30/68/420293068.db2.gz XPQLARDNMVUCMF-IJLUTSLNSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656022116 420293187 /nfs/dbraw/zinc/29/31/87/420293187.db2.gz BYNNOMFIQOONJA-FRRDWIJNSA-N 2 1 296.415 -0.027 20 0 CBADMP [NH3+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656019608 420293331 /nfs/dbraw/zinc/29/33/31/420293331.db2.gz HNPRKPDFRSZYDA-GHMZBOCLSA-N 2 1 268.361 -0.806 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656023179 420293859 /nfs/dbraw/zinc/29/38/59/420293859.db2.gz XPQLARDNMVUCMF-GRYCIOLGSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656022703 420293978 /nfs/dbraw/zinc/29/39/78/420293978.db2.gz KLABPLRMZHZSOI-UPJWGTAASA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)CN1CC[NH+](C)CC1 ZINC000446378306 420295055 /nfs/dbraw/zinc/29/50/55/420295055.db2.gz TWTIWPBBKFZLIY-RWMBFGLXSA-N 2 1 286.395 -0.314 20 0 CBADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH2+]CC1 ZINC000656027775 420295874 /nfs/dbraw/zinc/29/58/74/420295874.db2.gz DQQORJNKCULYMB-STQMWFEESA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000516980192 420370912 /nfs/dbraw/zinc/37/09/12/420370912.db2.gz VQRQLXKIYOBCDA-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000517400040 420376423 /nfs/dbraw/zinc/37/64/23/420376423.db2.gz JESJGQPJXZOHFA-GFCCVEGCSA-N 2 1 294.399 -0.450 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000658450414 420377552 /nfs/dbraw/zinc/37/75/52/420377552.db2.gz OFQQBOHKCBMEIG-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@H](C)[NH2+]C)CC1 ZINC000519639031 420383946 /nfs/dbraw/zinc/38/39/46/420383946.db2.gz CYMGCPOEQMGBMT-LBPRGKRZSA-N 2 1 256.394 -0.262 20 0 CBADMP CCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@H]1CC[N@@H+](CC)C1 ZINC000658829922 420391033 /nfs/dbraw/zinc/39/10/33/420391033.db2.gz OMEBDTDVBWXHKS-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)N1CC[NH+](C)CC1 ZINC000516868047 420365223 /nfs/dbraw/zinc/36/52/23/420365223.db2.gz NXUHDNRMIKZZGZ-NEPJUHHUSA-N 2 1 254.378 -0.557 20 0 CBADMP Cn1nncc1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000674334314 544903533 /nfs/dbraw/zinc/90/35/33/544903533.db2.gz AVNGDAPNQRBLAE-UHFFFAOYSA-N 2 1 266.393 -0.068 20 0 CBADMP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000673660528 544884006 /nfs/dbraw/zinc/88/40/06/544884006.db2.gz ASPUNBNTOLYJJT-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1CC[NH+](C)CC1 ZINC000673659622 544884090 /nfs/dbraw/zinc/88/40/90/544884090.db2.gz FGNWNMKQYCSEGY-UHFFFAOYSA-N 3 1 299.463 -0.814 20 0 CBADMP CN(C(=O)CN1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000673669256 544884171 /nfs/dbraw/zinc/88/41/71/544884171.db2.gz GQYDBFIEZAKYFS-CQSZACIVSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C(=O)CN1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000673669256 544884173 /nfs/dbraw/zinc/88/41/73/544884173.db2.gz GQYDBFIEZAKYFS-CQSZACIVSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@@]1(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CCC[NH2+]1 ZINC000516929929 420367248 /nfs/dbraw/zinc/36/72/48/420367248.db2.gz WAEHPZWWJZGJKD-RISCZKNCSA-N 2 1 282.388 -0.416 20 0 CBADMP Cn1[nH]c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1=O ZINC000516971246 420367321 /nfs/dbraw/zinc/36/73/21/420367321.db2.gz PKKKVAZOLQTYMC-WDEREUQCSA-N 2 1 265.361 -0.070 20 0 CBADMP Cn1[nH]c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1=O ZINC000516971243 420367812 /nfs/dbraw/zinc/36/78/12/420367812.db2.gz PKKKVAZOLQTYMC-GHMZBOCLSA-N 2 1 265.361 -0.070 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C1CC1 ZINC000534266059 420410409 /nfs/dbraw/zinc/41/04/09/420410409.db2.gz GGRNFZVKNHOWTA-KGLIPLIRSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H](NC(=O)N(C)CC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676303606 544946594 /nfs/dbraw/zinc/94/65/94/544946594.db2.gz FUBOHWRJDAANOL-NEPJUHHUSA-N 2 1 272.393 -0.092 20 0 CBADMP C[C@@H](NC(=O)N(C)CC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676303606 544946598 /nfs/dbraw/zinc/94/65/98/544946598.db2.gz FUBOHWRJDAANOL-NEPJUHHUSA-N 2 1 272.393 -0.092 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NCCC[NH+]1CCOCC1 ZINC000659423897 420419178 /nfs/dbraw/zinc/41/91/78/420419178.db2.gz PCFDSPQMZIPDIJ-NSHDSACASA-N 2 1 258.366 -0.384 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000659431864 420419269 /nfs/dbraw/zinc/41/92/69/420419269.db2.gz QRZVBWSRBMHCCF-LBPRGKRZSA-N 2 1 285.436 -0.081 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659452086 420420169 /nfs/dbraw/zinc/42/01/69/420420169.db2.gz LFKXDEGMMDCKQF-OPFPJEHXSA-N 2 1 295.431 -0.327 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659448326 420420528 /nfs/dbraw/zinc/42/05/28/420420528.db2.gz BQKMLVXNVFYKCB-UHFFFAOYSA-N 2 1 270.377 -0.303 20 0 CBADMP C[C@@H](NC(=O)N(C)CCC[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000659471134 420421600 /nfs/dbraw/zinc/42/16/00/420421600.db2.gz OAQCTMOLNUCDBY-GHMZBOCLSA-N 2 1 258.366 -0.304 20 0 CBADMP C[C@@H](NC(=O)N(C)CCC[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000659471134 420421603 /nfs/dbraw/zinc/42/16/03/420421603.db2.gz OAQCTMOLNUCDBY-GHMZBOCLSA-N 2 1 258.366 -0.304 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000659458820 420421845 /nfs/dbraw/zinc/42/18/45/420421845.db2.gz UKDKQTPXHQDNEL-WDEREUQCSA-N 2 1 258.366 -0.386 20 0 CBADMP C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC000659471277 420422022 /nfs/dbraw/zinc/42/20/22/420422022.db2.gz RYDQDIBDSPPNPC-DCAQKATOSA-N 2 1 256.350 -0.633 20 0 CBADMP C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659471277 420422025 /nfs/dbraw/zinc/42/20/25/420422025.db2.gz RYDQDIBDSPPNPC-DCAQKATOSA-N 2 1 256.350 -0.633 20 0 CBADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000677057763 544967333 /nfs/dbraw/zinc/96/73/33/544967333.db2.gz WXXZVPUEZKIVAN-QWRGUYRKSA-N 2 1 261.391 -0.533 20 0 CBADMP CCS(=O)(=O)NCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000677057762 544968012 /nfs/dbraw/zinc/96/80/12/544968012.db2.gz WXXZVPUEZKIVAN-GHMZBOCLSA-N 2 1 261.391 -0.533 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)c1cn(CC[NH3+])nn1 ZINC000659327623 420413363 /nfs/dbraw/zinc/41/33/63/420413363.db2.gz RAQXDPDYLHDJNH-UHFFFAOYSA-N 2 1 282.392 -0.056 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659574033 420434531 /nfs/dbraw/zinc/43/45/31/420434531.db2.gz YISHXOVKXGEXCR-UHFFFAOYSA-N 2 1 272.393 -0.129 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)NCC2([NH3+])CCCC2)C1 ZINC000659573404 420434666 /nfs/dbraw/zinc/43/46/66/420434666.db2.gz NGTZVNURUANBKC-ZDUSSCGKSA-N 2 1 270.377 -0.376 20 0 CBADMP CC[N@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C[C@H]1C ZINC000677930641 545009116 /nfs/dbraw/zinc/00/91/16/545009116.db2.gz DLVDKGZCELXIML-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C[C@H]1C ZINC000677930641 545009117 /nfs/dbraw/zinc/00/91/17/545009117.db2.gz DLVDKGZCELXIML-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C[C@H]1C ZINC000677930641 545009118 /nfs/dbraw/zinc/00/91/18/545009118.db2.gz DLVDKGZCELXIML-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000679314610 545025875 /nfs/dbraw/zinc/02/58/75/545025875.db2.gz NFCKCDNDZALBSF-LBPRGKRZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000679314610 545025877 /nfs/dbraw/zinc/02/58/77/545025877.db2.gz NFCKCDNDZALBSF-LBPRGKRZSA-N 2 1 269.389 -0.004 20 0 CBADMP Cc1cn2c(n1)CN(C(=O)[C@H]1C[N@H+]3CCN1CCC3)CC2 ZINC000679909028 545034170 /nfs/dbraw/zinc/03/41/70/545034170.db2.gz QSNNPSYBDUWSRJ-CYBMUJFWSA-N 2 1 289.383 -0.076 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000659751249 420467684 /nfs/dbraw/zinc/46/76/84/420467684.db2.gz FPNHVTCSCOLGPQ-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000659750948 420467695 /nfs/dbraw/zinc/46/76/95/420467695.db2.gz DZMKUYFXGOESDO-SDDRHHMPSA-N 2 1 282.388 -0.737 20 0 CBADMP Nc1nccc([C@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)C2)n1 ZINC000578893095 420467880 /nfs/dbraw/zinc/46/78/80/420467880.db2.gz ZSTGXEXBWDSQGT-ZDUSSCGKSA-N 2 1 290.415 0.143 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000659752636 420468689 /nfs/dbraw/zinc/46/86/89/420468689.db2.gz KVKFOPUXLQRXRC-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000683914873 545068752 /nfs/dbraw/zinc/06/87/52/545068752.db2.gz YRCYEURXQDPDHW-TZMCWYRMSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000683914873 545068753 /nfs/dbraw/zinc/06/87/53/545068753.db2.gz YRCYEURXQDPDHW-TZMCWYRMSA-N 2 1 285.388 -0.768 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)[C@H](C)C1 ZINC000659615318 420438889 /nfs/dbraw/zinc/43/88/89/420438889.db2.gz YSBQFTGAKJTNGO-ATAKMUTHSA-N 2 1 296.415 -0.165 20 0 CBADMP CC[NH+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659635585 420439648 /nfs/dbraw/zinc/43/96/48/420439648.db2.gz JTUPJJPZLJDEKT-UHFFFAOYSA-N 2 1 294.359 -0.512 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000659634345 420440227 /nfs/dbraw/zinc/44/02/27/420440227.db2.gz KESJKOUMOKVQNC-LLVKDONJSA-N 2 1 272.393 -0.308 20 0 CBADMP C[NH+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659634563 420440564 /nfs/dbraw/zinc/44/05/64/420440564.db2.gz CKTALOZHBDLYDK-UHFFFAOYSA-N 2 1 280.332 -0.902 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000659639049 420441684 /nfs/dbraw/zinc/44/16/84/420441684.db2.gz JINMSPMXOJKFJF-CHWSQXEVSA-N 2 1 285.436 -0.081 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000659636369 420441701 /nfs/dbraw/zinc/44/17/01/420441701.db2.gz KTASKMFITLHSGN-CYBMUJFWSA-N 2 1 285.436 -0.127 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659647560 420442866 /nfs/dbraw/zinc/44/28/66/420442866.db2.gz VGLOHMSVSLLAFV-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000659641846 420443146 /nfs/dbraw/zinc/44/31/46/420443146.db2.gz ISGLXTULKMZKAT-RYUDHWBXSA-N 2 1 272.393 -0.260 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000659677513 420447740 /nfs/dbraw/zinc/44/77/40/420447740.db2.gz DMLJJLTZWBRJII-AXFHLTTASA-N 2 1 270.377 -0.691 20 0 CBADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[C@H]1F ZINC000659687695 420448497 /nfs/dbraw/zinc/44/84/97/420448497.db2.gz XVIIUICHHLFDBF-YUSALJHKSA-N 2 1 298.362 -0.763 20 0 CBADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[C@H]1F ZINC000659687694 420449338 /nfs/dbraw/zinc/44/93/38/420449338.db2.gz XVIIUICHHLFDBF-MVWJERBFSA-N 2 1 298.362 -0.763 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659691096 420450399 /nfs/dbraw/zinc/45/03/99/420450399.db2.gz HLUHKMZTYLQTQQ-LLVKDONJSA-N 2 1 272.393 -0.441 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659693871 420451302 /nfs/dbraw/zinc/45/13/02/420451302.db2.gz CIXVRSNGCIIINA-PWSUYJOCSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1=CC[N@@H+](C)CC1 ZINC000659701422 420451728 /nfs/dbraw/zinc/45/17/28/420451728.db2.gz DRBVEDPPNHHAMH-LLVKDONJSA-N 2 1 296.415 -0.051 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000659699525 420451908 /nfs/dbraw/zinc/45/19/08/420451908.db2.gz WIXCFAMYRQQDGV-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000659704283 420452493 /nfs/dbraw/zinc/45/24/93/420452493.db2.gz JLKYTLMOZMPOJB-GFCCVEGCSA-N 2 1 282.388 -0.606 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000659705226 420452754 /nfs/dbraw/zinc/45/27/54/420452754.db2.gz UIMXLXDZNPGVFP-GFCCVEGCSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000659706297 420452931 /nfs/dbraw/zinc/45/29/31/420452931.db2.gz KRSCXAWXWYLFDL-YPMHNXCESA-N 2 1 296.415 -0.156 20 0 CBADMP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659714002 420455723 /nfs/dbraw/zinc/45/57/23/420455723.db2.gz INCVFHZHOXDRKG-NSHDSACASA-N 2 1 294.399 -0.402 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000659714019 420455855 /nfs/dbraw/zinc/45/58/55/420455855.db2.gz IOSXFXRJRBFAKY-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659713182 420456194 /nfs/dbraw/zinc/45/61/94/420456194.db2.gz FBFYQHREDOBGPU-WDEREUQCSA-N 2 1 268.361 -0.935 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000659715460 420457041 /nfs/dbraw/zinc/45/70/41/420457041.db2.gz PFQCAWYSQVBCPG-VHSXEESVSA-N 2 1 256.350 -0.950 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000659715388 420457221 /nfs/dbraw/zinc/45/72/21/420457221.db2.gz SYXVVRUBYCZENQ-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000659714709 420457453 /nfs/dbraw/zinc/45/74/53/420457453.db2.gz LWVAXLJAYJZFDQ-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH3+])C1 ZINC000659718538 420458042 /nfs/dbraw/zinc/45/80/42/420458042.db2.gz QWLXQOSDVDIZKJ-ZJUUUORDSA-N 2 1 256.350 -0.950 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000659717502 420458253 /nfs/dbraw/zinc/45/82/53/420458253.db2.gz HZTOQQIQGZDDGY-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659716123 420458421 /nfs/dbraw/zinc/45/84/21/420458421.db2.gz WEIXUFZCDUCGMY-QWRGUYRKSA-N 2 1 282.388 -0.547 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000659719662 420458844 /nfs/dbraw/zinc/45/88/44/420458844.db2.gz JJLPZQHLTCKPSS-SNVBAGLBSA-N 2 1 270.377 -0.560 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000659725989 420460228 /nfs/dbraw/zinc/46/02/28/420460228.db2.gz GJCXNSSNYOHXFQ-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000659724748 420460388 /nfs/dbraw/zinc/46/03/88/420460388.db2.gz QPQXXXVFQWANSS-UPJWGTAASA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731260 420460921 /nfs/dbraw/zinc/46/09/21/420460921.db2.gz BXDFIQMXMBUQNG-QWRGUYRKSA-N 2 1 268.361 -0.935 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659735268 420462165 /nfs/dbraw/zinc/46/21/65/420462165.db2.gz QVXAQYSLAQAMDA-GFCCVEGCSA-N 2 1 296.415 -0.025 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH2+]C)C2)C1 ZINC000659738303 420463387 /nfs/dbraw/zinc/46/33/87/420463387.db2.gz DMMIOZPRDLNDDE-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000659738283 420463429 /nfs/dbraw/zinc/46/34/29/420463429.db2.gz DGZVYXTZNWPHJU-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000659738181 420463827 /nfs/dbraw/zinc/46/38/27/420463827.db2.gz BEEVMHMUEKHYQL-WDEREUQCSA-N 2 1 268.361 -0.854 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000659738213 420463910 /nfs/dbraw/zinc/46/39/10/420463910.db2.gz BVDBSXHWIAIURM-SNVBAGLBSA-N 2 1 256.350 -0.996 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000659739488 420464371 /nfs/dbraw/zinc/46/43/71/420464371.db2.gz VYZGKFYPYTVKPK-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000659739307 420464942 /nfs/dbraw/zinc/46/49/42/420464942.db2.gz QQFRZYUQPCCXNF-LLVKDONJSA-N 2 1 268.361 -0.981 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000659739485 420464976 /nfs/dbraw/zinc/46/49/76/420464976.db2.gz VRLBTVPICYSMCI-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000659749962 420466954 /nfs/dbraw/zinc/46/69/54/420466954.db2.gz KYSDTSYOCSIBQO-UTUOFQBUSA-N 2 1 282.388 -0.594 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(C(N)=O)C1 ZINC000660460866 420491714 /nfs/dbraw/zinc/49/17/14/420491714.db2.gz JFPIPROIHFLPHV-YPMHNXCESA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000660460866 420491715 /nfs/dbraw/zinc/49/17/15/420491715.db2.gz JFPIPROIHFLPHV-YPMHNXCESA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000660460866 420491716 /nfs/dbraw/zinc/49/17/16/420491716.db2.gz JFPIPROIHFLPHV-YPMHNXCESA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(C(N)=O)C1 ZINC000660460865 420491903 /nfs/dbraw/zinc/49/19/03/420491903.db2.gz JFPIPROIHFLPHV-WCQYABFASA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000660460865 420491904 /nfs/dbraw/zinc/49/19/04/420491904.db2.gz JFPIPROIHFLPHV-WCQYABFASA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000660460865 420491905 /nfs/dbraw/zinc/49/19/05/420491905.db2.gz JFPIPROIHFLPHV-WCQYABFASA-N 2 1 257.378 -0.115 20 0 CBADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000518186060 260351998 /nfs/dbraw/zinc/35/19/98/260351998.db2.gz YGWHMQUJPWGRIR-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000518980929 265273804 /nfs/dbraw/zinc/27/38/04/265273804.db2.gz WSQOOCXWYDBNGD-NWDGAFQWSA-N 2 1 256.394 -0.278 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519156807 265336274 /nfs/dbraw/zinc/33/62/74/265336274.db2.gz PBOMDPTWHMYWAK-MNOVXSKESA-N 2 1 268.361 -0.996 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519156809 265336517 /nfs/dbraw/zinc/33/65/17/265336517.db2.gz PBOMDPTWHMYWAK-WDEREUQCSA-N 2 1 268.361 -0.996 20 0 CBADMP O=C(N1CC[NH2+]CC1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000530221520 269639945 /nfs/dbraw/zinc/63/99/45/269639945.db2.gz FRQWYCFRWNEWHQ-AWEZNQCLSA-N 2 1 295.431 -0.371 20 0 CBADMP CC(C)[C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000418777525 276030130 /nfs/dbraw/zinc/03/01/30/276030130.db2.gz YNWXUDUNYZHFFT-QWHCGFSZSA-N 2 1 284.404 -0.044 20 0 CBADMP CC[N@@H+](CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000351555307 276125428 /nfs/dbraw/zinc/12/54/28/276125428.db2.gz LHKGBHSUMWETMS-LBPRGKRZSA-N 2 1 282.388 -0.545 20 0 CBADMP CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000044529790 276154244 /nfs/dbraw/zinc/15/42/44/276154244.db2.gz QRGYEIKIUJYKEW-JTQLQIEISA-N 2 1 268.361 -0.013 20 0 CBADMP CC1(C)NC(=O)N(CC[N@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000044529790 276154247 /nfs/dbraw/zinc/15/42/47/276154247.db2.gz QRGYEIKIUJYKEW-JTQLQIEISA-N 2 1 268.361 -0.013 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)C1 ZINC000375065375 276209313 /nfs/dbraw/zinc/20/93/13/276209313.db2.gz NNAIUDZPGIDZJV-SRVKXCTJSA-N 2 1 273.352 -0.135 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)C1 ZINC000375065375 276209315 /nfs/dbraw/zinc/20/93/15/276209315.db2.gz NNAIUDZPGIDZJV-SRVKXCTJSA-N 2 1 273.352 -0.135 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC(C)(C)[NH3+])C[C@@H]1C ZINC000420070046 276238953 /nfs/dbraw/zinc/23/89/53/276238953.db2.gz BTTZIBDQVIBCML-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC(C)(C)[NH3+])C[C@@H]1C ZINC000420070046 276238954 /nfs/dbraw/zinc/23/89/54/276238954.db2.gz BTTZIBDQVIBCML-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000419899348 276264887 /nfs/dbraw/zinc/26/48/87/276264887.db2.gz YOZXIMXTTVBSGT-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)COC2C[NH2+]C2)C1 ZINC000430784628 276307057 /nfs/dbraw/zinc/30/70/57/276307057.db2.gz QZUGIMYPQRZULN-LLVKDONJSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)C1CC1 ZINC000419529988 276344952 /nfs/dbraw/zinc/34/49/52/276344952.db2.gz YPBXTTAUFJKNSN-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000366458832 276391956 /nfs/dbraw/zinc/39/19/56/276391956.db2.gz FGTLXZBNOHCIQK-AVGNSLFASA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000366458832 276391958 /nfs/dbraw/zinc/39/19/58/276391958.db2.gz FGTLXZBNOHCIQK-AVGNSLFASA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000420150532 276867398 /nfs/dbraw/zinc/86/73/98/276867398.db2.gz KRTZNRTVOGCMAY-VIFPVBQESA-N 2 1 292.330 -0.751 20 0 CBADMP C[N@H+](C[C@@H](O)CN1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000685569556 545081895 /nfs/dbraw/zinc/08/18/95/545081895.db2.gz VLZFNRXNVFKTCS-LSDHHAIUSA-N 2 1 283.416 -0.152 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000685569556 545081896 /nfs/dbraw/zinc/08/18/96/545081896.db2.gz VLZFNRXNVFKTCS-LSDHHAIUSA-N 2 1 283.416 -0.152 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CC[NH+](CCO)C(C)(C)C1)C1CC1 ZINC000685574352 545082068 /nfs/dbraw/zinc/08/20/68/545082068.db2.gz FHKGKNSGXPMNOR-CQSZACIVSA-N 2 1 285.432 -0.170 20 0 CBADMP C[NH+](C[C@@H](O)CN1CC[N@H+](CCO)C(C)(C)C1)C1CC1 ZINC000685574352 545082070 /nfs/dbraw/zinc/08/20/70/545082070.db2.gz FHKGKNSGXPMNOR-CQSZACIVSA-N 2 1 285.432 -0.170 20 0 CBADMP C[NH+](C[C@@H](O)CN1CC[N@@H+](CCO)C(C)(C)C1)C1CC1 ZINC000685574352 545082071 /nfs/dbraw/zinc/08/20/71/545082071.db2.gz FHKGKNSGXPMNOR-CQSZACIVSA-N 2 1 285.432 -0.170 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CC[NH+](CCO)C(C)(C)C1)C1CC1 ZINC000685574351 545082153 /nfs/dbraw/zinc/08/21/53/545082153.db2.gz FHKGKNSGXPMNOR-AWEZNQCLSA-N 2 1 285.432 -0.170 20 0 CBADMP C[NH+](C[C@H](O)CN1CC[N@H+](CCO)C(C)(C)C1)C1CC1 ZINC000685574351 545082154 /nfs/dbraw/zinc/08/21/54/545082154.db2.gz FHKGKNSGXPMNOR-AWEZNQCLSA-N 2 1 285.432 -0.170 20 0 CBADMP C[NH+](C[C@H](O)CN1CC[N@@H+](CCO)C(C)(C)C1)C1CC1 ZINC000685574351 545082155 /nfs/dbraw/zinc/08/21/55/545082155.db2.gz FHKGKNSGXPMNOR-AWEZNQCLSA-N 2 1 285.432 -0.170 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000685562523 545082177 /nfs/dbraw/zinc/08/21/77/545082177.db2.gz RBBROGDYIKBNLC-HRCADAONSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430891756 277025443 /nfs/dbraw/zinc/02/54/43/277025443.db2.gz WZVJEGFBPVXTEU-VXGBXAGGSA-N 2 1 284.404 -0.455 20 0 CBADMP C[NH2+][C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cnn(C)c1 ZINC000285698473 277040166 /nfs/dbraw/zinc/04/01/66/277040166.db2.gz BRJBYLPJRNRKRV-STQMWFEESA-N 2 1 277.372 -0.013 20 0 CBADMP C[NH2+][C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)c1cnn(C)c1 ZINC000285698473 277040167 /nfs/dbraw/zinc/04/01/67/277040167.db2.gz BRJBYLPJRNRKRV-STQMWFEESA-N 2 1 277.372 -0.013 20 0 CBADMP COC(=O)CNC(=O)CC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000370205072 277062379 /nfs/dbraw/zinc/06/23/79/277062379.db2.gz WXNRXCCHTGEPLX-VXGBXAGGSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000370205072 277062381 /nfs/dbraw/zinc/06/23/81/277062381.db2.gz WXNRXCCHTGEPLX-VXGBXAGGSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000370205072 277062382 /nfs/dbraw/zinc/06/23/82/277062382.db2.gz WXNRXCCHTGEPLX-VXGBXAGGSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000370205072 277062384 /nfs/dbraw/zinc/06/23/84/277062384.db2.gz WXNRXCCHTGEPLX-VXGBXAGGSA-N 2 1 283.372 -0.308 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)[C@H]2C1 ZINC000332291530 277139100 /nfs/dbraw/zinc/13/91/00/277139100.db2.gz TVDPMYKGDJORLF-UPJWGTAASA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494943393 277184164 /nfs/dbraw/zinc/18/41/64/277184164.db2.gz WFZOCLNGILFCPU-MFKMUULPSA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494943393 277184166 /nfs/dbraw/zinc/18/41/66/277184166.db2.gz WFZOCLNGILFCPU-MFKMUULPSA-N 2 1 255.362 -0.300 20 0 CBADMP COCCC[N@H+]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000372508267 277207857 /nfs/dbraw/zinc/20/78/57/277207857.db2.gz RMERQUGPJVDYFS-CYBMUJFWSA-N 2 1 285.388 -0.454 20 0 CBADMP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCOCC[NH3+])C1 ZINC000357080746 277228893 /nfs/dbraw/zinc/22/88/93/277228893.db2.gz NDARLDRIBRVMOX-CHWSQXEVSA-N 2 1 287.404 -0.175 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419838301 277399890 /nfs/dbraw/zinc/39/98/90/277399890.db2.gz FKVHJMJZIGKNJI-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CC1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C[NH2+]C1 ZINC000423536157 278172279 /nfs/dbraw/zinc/17/22/79/278172279.db2.gz GVJARYFMUVAUMY-LLVKDONJSA-N 2 1 280.372 -0.981 20 0 CBADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000430729288 278222160 /nfs/dbraw/zinc/22/21/60/278222160.db2.gz GGKNDMNJTLIYPF-GHMZBOCLSA-N 2 1 255.362 -0.131 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000420021001 278248352 /nfs/dbraw/zinc/24/83/52/278248352.db2.gz GRGPEWNTXIFGKK-SRVKXCTJSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H](CNC(=O)CNC(=O)C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000262369563 278269848 /nfs/dbraw/zinc/26/98/48/278269848.db2.gz IJONZSULVGTCAK-LBPRGKRZSA-N 2 1 292.383 -0.302 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C[C@H]1C ZINC000430723704 278290822 /nfs/dbraw/zinc/29/08/22/278290822.db2.gz SXMYVGCMYDAHGS-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C[C@H]1C ZINC000430723704 278290823 /nfs/dbraw/zinc/29/08/23/278290823.db2.gz SXMYVGCMYDAHGS-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC[NH2+]1 ZINC000423571706 278392230 /nfs/dbraw/zinc/39/22/30/278392230.db2.gz WKPIXBINSAVPQP-RWMBFGLXSA-N 2 1 294.399 -0.641 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000424184180 288078458 /nfs/dbraw/zinc/07/84/58/288078458.db2.gz XFCGFDWDLYHNRE-IJLUTSLNSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[N@@H+](CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)C1CC1 ZINC000376075129 279051871 /nfs/dbraw/zinc/05/18/71/279051871.db2.gz UAAWBIKEQHUBFO-CQSZACIVSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CCC1)C(C)C ZINC000420143067 279190618 /nfs/dbraw/zinc/19/06/18/279190618.db2.gz ZXCVBTKADLPMSN-UHFFFAOYSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419333157 288115053 /nfs/dbraw/zinc/11/50/53/288115053.db2.gz LKWCSMAVMQFUDA-WZRBSPASSA-N 2 1 294.399 -0.547 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419596373 279268338 /nfs/dbraw/zinc/26/83/38/279268338.db2.gz YADWEWAPNASUBV-OLZOCXBDSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419595432 279279226 /nfs/dbraw/zinc/27/92/26/279279226.db2.gz WUIVINNZZOENTC-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000355262519 279283284 /nfs/dbraw/zinc/28/32/84/279283284.db2.gz HAJVNGFQPIPNTF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000332390280 279283696 /nfs/dbraw/zinc/28/36/96/279283696.db2.gz WTDCOCVIENEIOH-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000420021105 279306418 /nfs/dbraw/zinc/30/64/18/279306418.db2.gz UALRVIBLLUNRPC-NEPJUHHUSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420141096 279307572 /nfs/dbraw/zinc/30/75/72/279307572.db2.gz JETFXMRYXBKURQ-XQQFMLRXSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1CC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000419587181 279325333 /nfs/dbraw/zinc/32/53/33/279325333.db2.gz NNDAUNXSFWZVJU-SNVBAGLBSA-N 2 1 268.361 -0.983 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[N@@H+](C)C1CC1 ZINC000419576848 279325574 /nfs/dbraw/zinc/32/55/74/279325574.db2.gz CNASCCTZLXHGIE-IJLUTSLNSA-N 2 1 296.415 -0.206 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187885956 279335400 /nfs/dbraw/zinc/33/54/00/279335400.db2.gz IFUUOHIOAGXXPC-SDDRHHMPSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424162303 279359108 /nfs/dbraw/zinc/35/91/08/279359108.db2.gz ZKSXNKJEIAWLJH-XQQFMLRXSA-N 2 1 268.405 -0.277 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000449753195 279391529 /nfs/dbraw/zinc/39/15/29/279391529.db2.gz OCPPMRPQKDEHKZ-WDEREUQCSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000449753195 279391530 /nfs/dbraw/zinc/39/15/30/279391530.db2.gz OCPPMRPQKDEHKZ-WDEREUQCSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[C@@H]1CN(C(=O)COC2C[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000430743300 280350647 /nfs/dbraw/zinc/35/06/47/280350647.db2.gz QWQGZZQIALWVCM-NWDGAFQWSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@H+]1C[C@H](C)O ZINC000246748178 280378894 /nfs/dbraw/zinc/37/88/94/280378894.db2.gz ZQDIGYUFGXQDJA-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000332560514 288307644 /nfs/dbraw/zinc/30/76/44/288307644.db2.gz QDUZRLOOQKOVTD-AGIUHOORSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000249092266 288311144 /nfs/dbraw/zinc/31/11/44/288311144.db2.gz WJLMKNXWCWQJID-GRYCIOLGSA-N 2 1 253.346 -0.330 20 0 CBADMP COCC[C@@]1(C(=O)NCC(F)(F)C[NH3+])CC[NH2+]C1 ZINC000373517707 292660018 /nfs/dbraw/zinc/66/00/18/292660018.db2.gz VGOCMLLZHQAJLU-JTQLQIEISA-N 2 1 265.304 -0.287 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH3+])CCC[N@H+]1C ZINC000419556015 289048959 /nfs/dbraw/zinc/04/89/59/289048959.db2.gz JZMJEMYCSROJMA-GRYCIOLGSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)CCC[N@H+]1C ZINC000347799530 289049268 /nfs/dbraw/zinc/04/92/68/289049268.db2.gz ZMQZNFKKIQWYMJ-JHJVBQTASA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CCC[N@H+]1C ZINC000419557296 289049579 /nfs/dbraw/zinc/04/95/79/289049579.db2.gz MFNPQYNFXZLJDI-NXEZZACHSA-N 2 1 270.377 -0.561 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000459896493 289126167 /nfs/dbraw/zinc/12/61/67/289126167.db2.gz MTLRZJNQPSDHMA-UHFFFAOYSA-N 2 1 284.404 -0.441 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357081520 289238022 /nfs/dbraw/zinc/23/80/22/289238022.db2.gz VFAHKNKDZQQBEN-VXGBXAGGSA-N 2 1 275.418 -0.191 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357081520 289238024 /nfs/dbraw/zinc/23/80/24/289238024.db2.gz VFAHKNKDZQQBEN-VXGBXAGGSA-N 2 1 275.418 -0.191 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430662015 289276202 /nfs/dbraw/zinc/27/62/02/289276202.db2.gz HLZOHCOZQJBHGU-AGIUHOORSA-N 2 1 296.415 -0.231 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430662015 289276205 /nfs/dbraw/zinc/27/62/05/289276205.db2.gz HLZOHCOZQJBHGU-AGIUHOORSA-N 2 1 296.415 -0.231 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)CCOC2C[NH2+]C2)C[C@@H]1C ZINC000348988562 290092079 /nfs/dbraw/zinc/09/20/79/290092079.db2.gz BAVJCBLPNDRYME-RYUDHWBXSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000333813735 290095685 /nfs/dbraw/zinc/09/56/85/290095685.db2.gz JULOVMGDHLFFRR-AGIUHOORSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000246302223 290104436 /nfs/dbraw/zinc/10/44/36/290104436.db2.gz OAMZYISDLZVZPQ-GRYCIOLGSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000246302223 290104440 /nfs/dbraw/zinc/10/44/40/290104440.db2.gz OAMZYISDLZVZPQ-GRYCIOLGSA-N 2 1 255.362 -0.491 20 0 CBADMP 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 290163526 /nfs/dbraw/zinc/16/35/26/290163526.db2.gz WKKHGCMSYUIMNY-GCHJQGSQSA-N 2 1 250.346 -0.450 20 0 CBADMP C[N@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000418675994 290249445 /nfs/dbraw/zinc/24/94/45/290249445.db2.gz SDIMHSLBSGPMJP-SFTQSGBHSA-N 2 1 264.373 -0.059 20 0 CBADMP COC[C@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000354068575 293117664 /nfs/dbraw/zinc/11/76/64/293117664.db2.gz PVOJFNRJOYYPCB-ONGXEEELSA-N 2 1 254.334 -0.082 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@H]1CCC[C@H]1[NH3+] ZINC000340117754 295109991 /nfs/dbraw/zinc/10/99/91/295109991.db2.gz DEDJDIFJMXZOHN-UPJWGTAASA-N 2 1 296.415 -0.040 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CC[NH3+])C1 ZINC000430897916 295225260 /nfs/dbraw/zinc/22/52/60/295225260.db2.gz RZMZWKUUZHFQCO-JTQLQIEISA-N 2 1 256.350 -0.961 20 0 CBADMP [NH3+]CCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000515402401 295233882 /nfs/dbraw/zinc/23/38/82/295233882.db2.gz JSXZVSRSJZDDFM-VXGBXAGGSA-N 2 1 270.377 -0.112 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186666167 295314140 /nfs/dbraw/zinc/31/41/40/295314140.db2.gz MPBLOKBGVVDRGF-YNEHKIRRSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C[N@H+]1C1CC1 ZINC000333365569 297274711 /nfs/dbraw/zinc/27/47/11/297274711.db2.gz LSWWUOQHRWOJFD-VXGBXAGGSA-N 2 1 294.399 -0.005 20 0 CBADMP C[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000418394630 300156367 /nfs/dbraw/zinc/15/63/67/300156367.db2.gz XZXYBNIDJCEECI-RYUDHWBXSA-N 2 1 284.404 -0.165 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000037626136 303259253 /nfs/dbraw/zinc/25/92/53/303259253.db2.gz BVCSOQAPKCDXKX-JTQLQIEISA-N 2 1 256.350 -0.819 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000228474807 303268752 /nfs/dbraw/zinc/26/87/52/303268752.db2.gz YWAPKDCRXBNIAW-AEJSXWLSSA-N 2 1 254.334 -0.369 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCC[NH3+] ZINC000430902934 303374327 /nfs/dbraw/zinc/37/43/27/303374327.db2.gz DCWJFQVLWHGBIQ-SNVBAGLBSA-N 2 1 256.350 -0.819 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000567368498 328061158 /nfs/dbraw/zinc/06/11/58/328061158.db2.gz XXDYZSUZTSCZJL-YNEHKIRRSA-N 3 1 266.389 -0.380 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NCC[NH+](C)C ZINC000563403865 328062839 /nfs/dbraw/zinc/06/28/39/328062839.db2.gz PMJSCKKTOXWHES-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP O=C(CC[NH2+]C1CC1)NCC[N@H+]1CCCOCC1 ZINC000563411165 328064346 /nfs/dbraw/zinc/06/43/46/328064346.db2.gz ZEROBTZTYRTISG-UHFFFAOYSA-N 2 1 255.362 -0.033 20 0 CBADMP NC(=O)C[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000563621954 328077956 /nfs/dbraw/zinc/07/79/56/328077956.db2.gz CGJJCKDGVJPWSU-GFCCVEGCSA-N 2 1 254.378 -0.379 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000571283969 328097693 /nfs/dbraw/zinc/09/76/93/328097693.db2.gz JQBTWOURADSYPQ-QJPTWQEYSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000571316106 328104854 /nfs/dbraw/zinc/10/48/54/328104854.db2.gz TTWXZYSGTGNPRR-RYUDHWBXSA-N 2 1 257.378 -0.066 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000571404621 328119568 /nfs/dbraw/zinc/11/95/68/328119568.db2.gz ZCCGLLOIBRGGMX-STQMWFEESA-N 2 1 256.321 -0.101 20 0 CBADMP CC[N@@H+](CCNC[C@@H](O)C[NH+]1CCN(C)CC1)C(C)C ZINC000571634488 328151043 /nfs/dbraw/zinc/15/10/43/328151043.db2.gz TXBMUKFFYFMQKW-OAHLLOKOSA-N 2 1 286.464 -0.085 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000582797589 329209312 /nfs/dbraw/zinc/20/93/12/329209312.db2.gz VGZUDPOQIMGNIS-JTQLQIEISA-N 2 1 268.361 -0.935 20 0 CBADMP O=C1C[C@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C(=O)N1 ZINC000565488472 326939317 /nfs/dbraw/zinc/93/93/17/326939317.db2.gz MBUDXIYHSHULIR-ZDUSSCGKSA-N 2 1 295.383 -0.022 20 0 CBADMP [NH3+]CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000584113635 327040790 /nfs/dbraw/zinc/04/07/90/327040790.db2.gz ZUWNTYOBFFXOQO-CHWSQXEVSA-N 3 1 268.405 -0.085 20 0 CBADMP [NH3+]CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000584113636 327040799 /nfs/dbraw/zinc/04/07/99/327040799.db2.gz ZUWNTYOBFFXOQO-OLZOCXBDSA-N 3 1 268.405 -0.085 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC000576820586 327041976 /nfs/dbraw/zinc/04/19/76/327041976.db2.gz UERHZJAFMPCICL-NSHDSACASA-N 2 1 280.376 -0.207 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC000576820586 327041977 /nfs/dbraw/zinc/04/19/77/327041977.db2.gz UERHZJAFMPCICL-NSHDSACASA-N 2 1 280.376 -0.207 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)CC[N@H+]1C ZINC000558207335 327078600 /nfs/dbraw/zinc/07/86/00/327078600.db2.gz BIUCICWZPKVIHH-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)CC[N@H+]1C ZINC000558207333 327078621 /nfs/dbraw/zinc/07/86/21/327078621.db2.gz BIUCICWZPKVIHH-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381057462 327092419 /nfs/dbraw/zinc/09/24/19/327092419.db2.gz UHGOBESFQOANEZ-BBBLOLIVSA-N 2 1 254.334 -0.499 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000569341983 327098855 /nfs/dbraw/zinc/09/88/55/327098855.db2.gz DHLWYFDWLIVVRE-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000569341983 327098856 /nfs/dbraw/zinc/09/88/56/327098856.db2.gz DHLWYFDWLIVVRE-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CCO)C[C@@H]1C ZINC000584239863 327112115 /nfs/dbraw/zinc/11/21/15/327112115.db2.gz OQJCAMFIEIEHJY-STQMWFEESA-N 2 1 259.394 -0.703 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](CCO)C[C@@H]1C ZINC000584239863 327112116 /nfs/dbraw/zinc/11/21/16/327112116.db2.gz OQJCAMFIEIEHJY-STQMWFEESA-N 2 1 259.394 -0.703 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](CCO)C[C@@H]1C ZINC000584239863 327112117 /nfs/dbraw/zinc/11/21/17/327112117.db2.gz OQJCAMFIEIEHJY-STQMWFEESA-N 2 1 259.394 -0.703 20 0 CBADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000559247090 327150161 /nfs/dbraw/zinc/15/01/61/327150161.db2.gz DZTLCQYNWJBKKT-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000559247090 327150163 /nfs/dbraw/zinc/15/01/63/327150163.db2.gz DZTLCQYNWJBKKT-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](C(=O)N[C@@](C)(C[NH3+])C1CC1)N1CC[NH+](C)CC1 ZINC000569364716 327165038 /nfs/dbraw/zinc/16/50/38/327165038.db2.gz SMTZIVIAOZSIKR-FZMZJTMJSA-N 2 1 268.405 -0.134 20 0 CBADMP NS(=O)(=O)[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000564988330 327339904 /nfs/dbraw/zinc/33/99/04/327339904.db2.gz DKLAZNUUMLDBMU-LLVKDONJSA-N 2 1 261.391 -0.261 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000574530246 327343714 /nfs/dbraw/zinc/34/37/14/327343714.db2.gz VNBFKYYIYYLDTE-NEPJUHHUSA-N 2 1 293.433 -0.701 20 0 CBADMP CC(C)NC(=O)CN(C)CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000561160462 327370595 /nfs/dbraw/zinc/37/05/95/327370595.db2.gz GJZIBQOCPOEAGU-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000561256817 327379984 /nfs/dbraw/zinc/37/99/84/327379984.db2.gz PGKVIPCDJDGPJA-UHFFFAOYSA-N 2 1 296.415 -0.347 20 0 CBADMP Cn1[nH]c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)nc1=O ZINC000570632900 327607557 /nfs/dbraw/zinc/60/75/57/327607557.db2.gz HWERFGBTHVSQJN-NSHDSACASA-N 2 1 265.361 -0.070 20 0 CBADMP Cn1[nH]c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)nc1=O ZINC000570632899 327607564 /nfs/dbraw/zinc/60/75/64/327607564.db2.gz HWERFGBTHVSQJN-LLVKDONJSA-N 2 1 265.361 -0.070 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000571683263 328852396 /nfs/dbraw/zinc/85/23/96/328852396.db2.gz IIWSPINFVVRYRF-UHFFFAOYSA-N 2 1 287.314 -0.328 20 0 CBADMP C[C@@]1(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCC[NH2+]1 ZINC000582849590 329279909 /nfs/dbraw/zinc/27/99/09/329279909.db2.gz SMYOSSNXYPNZMQ-DOMZBBRYSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000582966060 329294822 /nfs/dbraw/zinc/29/48/22/329294822.db2.gz DQOOICKZNAMASX-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP OC[C@@H](O)C[N@H+](CCN1CC[NH2+]CC1)CCC(F)(F)F ZINC000583025411 329300634 /nfs/dbraw/zinc/30/06/34/329300634.db2.gz ZOVSBUSZSSVSFJ-NSHDSACASA-N 2 1 299.337 -0.501 20 0 CBADMP OC[C@@H](O)C[N@@H+](CCN1CC[NH2+]CC1)CCC(F)(F)F ZINC000583025411 329300635 /nfs/dbraw/zinc/30/06/35/329300635.db2.gz ZOVSBUSZSSVSFJ-NSHDSACASA-N 2 1 299.337 -0.501 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCN3CC[NH2+]CC3)C[C@H]21 ZINC000583084308 329311988 /nfs/dbraw/zinc/31/19/88/329311988.db2.gz LXOPWGPBSRQXJH-BFHYXJOUSA-N 3 1 252.406 -0.049 20 0 CBADMP C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)[N@@H+](C)C1CC1 ZINC000583132920 329319012 /nfs/dbraw/zinc/31/90/12/329319012.db2.gz KJPUDSQMWAAMSG-DGCLKSJQSA-N 2 1 283.420 -0.328 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000583212374 329368656 /nfs/dbraw/zinc/36/86/56/329368656.db2.gz NAWBPFLEPDYHSZ-GFCCVEGCSA-N 2 1 257.378 -0.243 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000399400755 329452665 /nfs/dbraw/zinc/45/26/65/329452665.db2.gz AMDSSTXCFFAQBP-BXUZGUMPSA-N 2 1 298.431 -0.068 20 0 CBADMP C[NH+]1CCN(c2ncc(CN[C@H]3CC[NH2+]C3)cn2)CC1 ZINC000583822910 329481322 /nfs/dbraw/zinc/48/13/22/329481322.db2.gz BRRXMINNAKDJFG-ZDUSSCGKSA-N 2 1 276.388 -0.320 20 0 CBADMP COC(=O)C[C@H](N)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000572519574 333115144 /nfs/dbraw/zinc/11/51/44/333115144.db2.gz NAAYVKYRQDACEA-NGZCFLSTSA-N 2 1 269.345 -0.382 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000572519574 333115147 /nfs/dbraw/zinc/11/51/47/333115147.db2.gz NAAYVKYRQDACEA-NGZCFLSTSA-N 2 1 269.345 -0.382 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000576015626 335141906 /nfs/dbraw/zinc/14/19/06/335141906.db2.gz DPJGKNAGLPKHKB-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP CCNC(=O)NC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715910 335164288 /nfs/dbraw/zinc/16/42/88/335164288.db2.gz LCBWPPUUNYMPBH-UHFFFAOYSA-N 2 1 299.419 -0.599 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)[C@@H](C)C[N@@H+]1CCO ZINC000576449353 335204548 /nfs/dbraw/zinc/20/45/48/335204548.db2.gz XQSHNDJLZQLASF-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000576465646 335207479 /nfs/dbraw/zinc/20/74/79/335207479.db2.gz HXKLLYRCQBSJAR-JQWIXIFHSA-N 2 1 259.325 -0.475 20 0 CBADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000576493939 335211489 /nfs/dbraw/zinc/21/14/89/335211489.db2.gz NSJYXIHSGOGBDQ-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP [NH3+]CCCn1cc(C(=O)NCC[N@@H+]2CC=CCC2)nn1 ZINC000576986590 335273893 /nfs/dbraw/zinc/27/38/93/335273893.db2.gz NLOHNSYIWQMFMQ-UHFFFAOYSA-N 2 1 278.360 -0.381 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)[C@@H]1CCCOC1)C1CC1 ZINC000576992344 335275096 /nfs/dbraw/zinc/27/50/96/335275096.db2.gz JXKANTCHGAVKTQ-BNOWGMLFSA-N 2 1 272.389 -0.181 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)[C@@H]1CCCOC1)C1CC1 ZINC000576992344 335275098 /nfs/dbraw/zinc/27/50/98/335275098.db2.gz JXKANTCHGAVKTQ-BNOWGMLFSA-N 2 1 272.389 -0.181 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000580643490 335309873 /nfs/dbraw/zinc/30/98/73/335309873.db2.gz DKWCOMFUEDDCAR-TUAOUCFPSA-N 2 1 272.393 -0.180 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000580643490 335309875 /nfs/dbraw/zinc/30/98/75/335309875.db2.gz DKWCOMFUEDDCAR-TUAOUCFPSA-N 2 1 272.393 -0.180 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000577270575 335332707 /nfs/dbraw/zinc/33/27/07/335332707.db2.gz NEFKJEMIQRAJBL-RAIGVLPGSA-N 2 1 294.399 -0.465 20 0 CBADMP C[N@@H+](CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000577509817 335362461 /nfs/dbraw/zinc/36/24/61/335362461.db2.gz UDBBQGRPVCLKCV-VXGBXAGGSA-N 2 1 295.387 -0.966 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CC1(C[NH3+])CC1 ZINC000577629366 335382447 /nfs/dbraw/zinc/38/24/47/335382447.db2.gz XSNLNGLPHKBEJD-LLVKDONJSA-N 2 1 282.388 -0.429 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1 ZINC000577751862 335397430 /nfs/dbraw/zinc/39/74/30/335397430.db2.gz VKNYVKXDSKFLFL-NEPJUHHUSA-N 2 1 254.330 -0.404 20 0 CBADMP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000581370789 336063341 /nfs/dbraw/zinc/06/33/41/336063341.db2.gz CAJKPVQUFOSCER-RISCZKNCSA-N 2 1 292.383 -0.285 20 0 CBADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C1CC1 ZINC000581419705 336074143 /nfs/dbraw/zinc/07/41/43/336074143.db2.gz LZUUGZQVCGVIEB-OLZOCXBDSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000581479058 336086300 /nfs/dbraw/zinc/08/63/00/336086300.db2.gz URMMPGRJGQZBJH-NEPJUHHUSA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000581605549 336111059 /nfs/dbraw/zinc/11/10/59/336111059.db2.gz KPKLFAVAJZMLOY-WCQYABFASA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CCNC(=O)C1CC1)C1CC1 ZINC000386454898 336175383 /nfs/dbraw/zinc/17/53/83/336175383.db2.gz RUJBTMYKWAZMKL-LBPRGKRZSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCNC(=O)C1CC1)C1CC1 ZINC000386454898 336175384 /nfs/dbraw/zinc/17/53/84/336175384.db2.gz RUJBTMYKWAZMKL-LBPRGKRZSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)OCCO)C1CC1 ZINC000386465777 336175458 /nfs/dbraw/zinc/17/54/58/336175458.db2.gz TYWGXOZZBIHTAO-LBPRGKRZSA-N 2 1 260.378 -0.181 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)OCCO)C1CC1 ZINC000386465777 336175459 /nfs/dbraw/zinc/17/54/59/336175459.db2.gz TYWGXOZZBIHTAO-LBPRGKRZSA-N 2 1 260.378 -0.181 20 0 CBADMP CN1C[C@@H]([N@H+](C)CCC(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000581981789 336183856 /nfs/dbraw/zinc/18/38/56/336183856.db2.gz ROYLAEXMFUWDMQ-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP CN1C[C@@H]([N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000581981789 336183857 /nfs/dbraw/zinc/18/38/57/336183857.db2.gz ROYLAEXMFUWDMQ-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CCSC ZINC000061380440 523596252 /nfs/dbraw/zinc/59/62/52/523596252.db2.gz LEMYQRMSDNPJAV-JTQLQIEISA-N 2 1 263.407 -0.239 20 0 CBADMP COCC[NH2+]CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000220662371 523934970 /nfs/dbraw/zinc/93/49/70/523934970.db2.gz FSNXJKOCTDVEIB-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000494005235 527716917 /nfs/dbraw/zinc/71/69/17/527716917.db2.gz ZQBCVFMWDWDBLS-AGIUHOORSA-N 2 1 287.404 -0.164 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@H]1CC[N@H+](CCOC)C1)c1cnn(C)c1 ZINC000357236244 536336848 /nfs/dbraw/zinc/33/68/48/536336848.db2.gz DUWBWUNHXYOYSQ-QWHCGFSZSA-N 2 1 295.387 -0.483 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@H]1CC[N@@H+](CCOC)C1)c1cnn(C)c1 ZINC000357236244 536336850 /nfs/dbraw/zinc/33/68/50/536336850.db2.gz DUWBWUNHXYOYSQ-QWHCGFSZSA-N 2 1 295.387 -0.483 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000515619020 536428649 /nfs/dbraw/zinc/42/86/49/536428649.db2.gz FHORZGOSUVJNMO-RDBSUJKOSA-N 2 1 295.431 -0.184 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000137408121 582125972 /nfs/dbraw/zinc/12/59/72/582125972.db2.gz JSLVLEFFWBPRQF-NEPJUHHUSA-N 2 1 254.378 -0.524 20 0 CBADMP CN1CCN(C)[C@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000137408121 582125973 /nfs/dbraw/zinc/12/59/73/582125973.db2.gz JSLVLEFFWBPRQF-NEPJUHHUSA-N 2 1 254.378 -0.524 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000217587709 582128047 /nfs/dbraw/zinc/12/80/47/582128047.db2.gz CFVZETPYOWQZAN-SDDRHHMPSA-N 2 1 255.362 -0.179 20 0 CBADMP CCOC(=O)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000233690488 582129701 /nfs/dbraw/zinc/12/97/01/582129701.db2.gz MJEWALJWUKLMMB-UHFFFAOYSA-N 2 1 298.387 -0.418 20 0 CBADMP COCCOC[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300285138 582130480 /nfs/dbraw/zinc/13/04/80/582130480.db2.gz QTGMGXDSPWMVEG-MJBXVCDLSA-N 2 1 288.388 -0.537 20 0 CBADMP COCCOC[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300285138 582130481 /nfs/dbraw/zinc/13/04/81/582130481.db2.gz QTGMGXDSPWMVEG-MJBXVCDLSA-N 2 1 288.388 -0.537 20 0 CBADMP C[C@@H](CC(=O)N(C)C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000398956819 582132367 /nfs/dbraw/zinc/13/23/67/582132367.db2.gz IUJLMPVGBUYMBR-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000725898983 582135901 /nfs/dbraw/zinc/13/59/01/582135901.db2.gz ZADKEIQRJMXAFK-KBPBESRZSA-N 2 1 297.399 -0.312 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000725898983 582135902 /nfs/dbraw/zinc/13/59/02/582135902.db2.gz ZADKEIQRJMXAFK-KBPBESRZSA-N 2 1 297.399 -0.312 20 0 CBADMP COCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000729980660 582148631 /nfs/dbraw/zinc/14/86/31/582148631.db2.gz RSDIVLVQZTUZSC-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP COCC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000729980660 582148633 /nfs/dbraw/zinc/14/86/33/582148633.db2.gz RSDIVLVQZTUZSC-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP CN1CC[N@H+](C)C[C@H]1CNC(=S)NC1CC[NH+](C)CC1 ZINC000731947602 582155713 /nfs/dbraw/zinc/15/57/13/582155713.db2.gz GQIDNQSINLEVAA-CYBMUJFWSA-N 2 1 299.488 -0.210 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=S)NC1CC[NH+](C)CC1 ZINC000731947602 582155714 /nfs/dbraw/zinc/15/57/14/582155714.db2.gz GQIDNQSINLEVAA-CYBMUJFWSA-N 2 1 299.488 -0.210 20 0 CBADMP CN1CC[N@H+](C)C[C@@H]1CNC(=S)NC1CC[NH+](C)CC1 ZINC000731947603 582155809 /nfs/dbraw/zinc/15/58/09/582155809.db2.gz GQIDNQSINLEVAA-ZDUSSCGKSA-N 2 1 299.488 -0.210 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=S)NC1CC[NH+](C)CC1 ZINC000731947603 582155810 /nfs/dbraw/zinc/15/58/10/582155810.db2.gz GQIDNQSINLEVAA-ZDUSSCGKSA-N 2 1 299.488 -0.210 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH+]1CCCC1 ZINC000734122118 582167862 /nfs/dbraw/zinc/16/78/62/582167862.db2.gz WJKYRHLAJGCSMA-UHFFFAOYSA-N 2 1 255.362 -0.079 20 0 CBADMP CNC(=O)[C@@H](C)C[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000749114996 582289283 /nfs/dbraw/zinc/28/92/83/582289283.db2.gz FFPXQTXQSBAYBH-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000749114996 582289284 /nfs/dbraw/zinc/28/92/84/582289284.db2.gz FFPXQTXQSBAYBH-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@H+](CC(=O)NC1CC[NH+](CC(N)=O)CC1)C1CC1 ZINC000749409709 582289740 /nfs/dbraw/zinc/28/97/40/582289740.db2.gz GXWBDVSGFSWWTB-UHFFFAOYSA-N 2 1 282.388 -0.463 20 0 CBADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC(N)=O)CC1)C1CC1 ZINC000749409709 582289741 /nfs/dbraw/zinc/28/97/41/582289741.db2.gz GXWBDVSGFSWWTB-UHFFFAOYSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CN(C)CCO1 ZINC000754353403 582299175 /nfs/dbraw/zinc/29/91/75/582299175.db2.gz DGNDMVKFZOEULL-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000754353403 582299176 /nfs/dbraw/zinc/29/91/76/582299176.db2.gz DGNDMVKFZOEULL-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000754353403 582299177 /nfs/dbraw/zinc/29/91/77/582299177.db2.gz DGNDMVKFZOEULL-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1CCC[NH+]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000754353403 582299178 /nfs/dbraw/zinc/29/91/78/582299178.db2.gz DGNDMVKFZOEULL-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP Cn1cc[nH+]c1N1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000760875809 582313707 /nfs/dbraw/zinc/31/37/07/582313707.db2.gz NQUDPJVIVDRFFY-AWEZNQCLSA-N 2 1 293.415 -0.001 20 0 CBADMP CC[N@@H+](CCO)CCNC(=S)NCCC[NH+](C)C ZINC000768787992 582334649 /nfs/dbraw/zinc/33/46/49/582334649.db2.gz IUWAPVHSRVRNEU-UHFFFAOYSA-N 2 1 276.450 -0.284 20 0 CBADMP C[C@H](C(=O)NC1CC([NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000773485210 582347649 /nfs/dbraw/zinc/34/76/49/582347649.db2.gz AYEHSWMQURYBGY-PNESKVBLSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[N@H+]1CCO ZINC000778350772 582358676 /nfs/dbraw/zinc/35/86/76/582358676.db2.gz ITYGIBQIYFUTRX-ZIAGYGMSSA-N 2 1 271.405 -0.559 20 0 CBADMP C[C@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[N@H+]1CCO ZINC000778350771 582358691 /nfs/dbraw/zinc/35/86/91/582358691.db2.gz ITYGIBQIYFUTRX-UONOGXRCSA-N 2 1 271.405 -0.559 20 0 CBADMP C[C@H](CCO)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000779343779 582360965 /nfs/dbraw/zinc/36/09/65/582360965.db2.gz BPSGNNLOVNDLNJ-NEPJUHHUSA-N 2 1 257.378 -0.066 20 0 CBADMP C[C@H](CO)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H](C)O ZINC000785537535 582376256 /nfs/dbraw/zinc/37/62/56/582376256.db2.gz QNOOVKOGIODXDB-FRRDWIJNSA-N 2 1 260.378 -0.493 20 0 CBADMP C[C@H](CO)[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H](C)O ZINC000785537535 582376257 /nfs/dbraw/zinc/37/62/57/582376257.db2.gz QNOOVKOGIODXDB-FRRDWIJNSA-N 2 1 260.378 -0.493 20 0 CBADMP NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000786806798 582379578 /nfs/dbraw/zinc/37/95/78/582379578.db2.gz JEHOTXFHKXLDGI-CYBMUJFWSA-N 2 1 294.399 -0.321 20 0 CBADMP NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000786806798 582379579 /nfs/dbraw/zinc/37/95/79/582379579.db2.gz JEHOTXFHKXLDGI-CYBMUJFWSA-N 2 1 294.399 -0.321 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCC(=O)NC1=O ZINC000788021531 582383983 /nfs/dbraw/zinc/38/39/83/582383983.db2.gz PYZRNKOJSYHKBT-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP O=C1C[C@]2(CC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)CN1 ZINC000789355436 582388220 /nfs/dbraw/zinc/38/82/20/582388220.db2.gz RQNYQFXZWXMSPQ-TZMCWYRMSA-N 2 1 267.373 -0.345 20 0 CBADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000796581447 582412081 /nfs/dbraw/zinc/41/20/81/582412081.db2.gz QGSCYFFHHIPUPY-AAEUAGOBSA-N 2 1 255.362 -0.360 20 0 CBADMP CNC(=O)[C@@]1(C)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000797525455 582413665 /nfs/dbraw/zinc/41/36/65/582413665.db2.gz MXWHMTAICZMQMM-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)[C@]1(C)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000797525453 582413681 /nfs/dbraw/zinc/41/36/81/582413681.db2.gz MXWHMTAICZMQMM-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CO)C2CC2)CC1 ZINC000801539134 582424511 /nfs/dbraw/zinc/42/45/11/582424511.db2.gz BOQZGXUOSTXEKX-LBPRGKRZSA-N 2 1 255.362 -0.489 20 0 CBADMP NC(=O)C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000808775177 582444494 /nfs/dbraw/zinc/44/44/94/582444494.db2.gz PUUYEZCTRKBESY-RYUDHWBXSA-N 2 1 255.362 -0.360 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2cnn(C)n2)C1 ZINC000809999043 582447791 /nfs/dbraw/zinc/44/77/91/582447791.db2.gz ZMBSWNPNUJRZCR-LLVKDONJSA-N 2 1 282.348 -0.077 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2cnn(C)n2)C1 ZINC000809999043 582447792 /nfs/dbraw/zinc/44/77/92/582447792.db2.gz ZMBSWNPNUJRZCR-LLVKDONJSA-N 2 1 282.348 -0.077 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)CN1CC[NH+](C)CC1 ZINC000815124231 582461061 /nfs/dbraw/zinc/46/10/61/582461061.db2.gz YZEXLVVDFZOIRX-LBPRGKRZSA-N 2 1 266.393 -0.212 20 0 CBADMP C[NH+]1CCC(OCC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000823505489 582671289 /nfs/dbraw/zinc/67/12/89/582671289.db2.gz AMNQJBFTJKHUQX-CYBMUJFWSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCC(OCC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000823505489 582671293 /nfs/dbraw/zinc/67/12/93/582671293.db2.gz AMNQJBFTJKHUQX-CYBMUJFWSA-N 2 1 297.399 -0.625 20 0 CBADMP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C[NH+]1CCCC1 ZINC000823683219 582677232 /nfs/dbraw/zinc/67/72/32/582677232.db2.gz RMNXIXACVMMQDX-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C[NH+]1CCCC1 ZINC000823683219 582677234 /nfs/dbraw/zinc/67/72/34/582677234.db2.gz RMNXIXACVMMQDX-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)[NH+](C)C ZINC000825131927 582725734 /nfs/dbraw/zinc/72/57/34/582725734.db2.gz MYIRUIMLWMEDQE-MNOVXSKESA-N 2 1 257.378 -0.102 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)CC[C@H]21 ZINC000827290392 582809524 /nfs/dbraw/zinc/80/95/24/582809524.db2.gz TWYIXBDNJNLTBR-KFWWJZLASA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC[C@H]21 ZINC000827290392 582809527 /nfs/dbraw/zinc/80/95/27/582809527.db2.gz TWYIXBDNJNLTBR-KFWWJZLASA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC[C@H]21 ZINC000827290392 582809529 /nfs/dbraw/zinc/80/95/29/582809529.db2.gz TWYIXBDNJNLTBR-KFWWJZLASA-N 2 1 292.427 -0.071 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000827936144 582836285 /nfs/dbraw/zinc/83/62/85/582836285.db2.gz FPENSSYOQOXLJD-BHPKHCPMSA-N 2 1 279.384 -0.035 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CC[NH2+]C(C)(C)C ZINC000828196178 582846992 /nfs/dbraw/zinc/84/69/92/582846992.db2.gz OFDMNRFOMUBDCD-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000829148504 582882869 /nfs/dbraw/zinc/88/28/69/582882869.db2.gz KELOFYLGYRQANH-ZDUSSCGKSA-N 2 1 296.415 -0.217 20 0 CBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484673 582888078 /nfs/dbraw/zinc/88/80/78/582888078.db2.gz WLBLZKKAZCCXTA-DOMZBBRYSA-N 2 1 298.406 -0.027 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484673 582888079 /nfs/dbraw/zinc/88/80/79/582888079.db2.gz WLBLZKKAZCCXTA-DOMZBBRYSA-N 2 1 298.406 -0.027 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@@]2(F)CC[NH2+]C2)n1C ZINC000829527891 582889817 /nfs/dbraw/zinc/88/98/17/582889817.db2.gz HSNYUIIFHOJNMT-GFCCVEGCSA-N 2 1 269.324 -0.196 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@]2(F)CC[NH2+]C2)n1C ZINC000829527896 582889873 /nfs/dbraw/zinc/88/98/73/582889873.db2.gz HSNYUIIFHOJNMT-LBPRGKRZSA-N 2 1 269.324 -0.196 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000830134283 582921573 /nfs/dbraw/zinc/92/15/73/582921573.db2.gz COZKIEBPSBKVIY-FNFFVJSTSA-N 2 1 294.399 -0.737 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000830134283 582921575 /nfs/dbraw/zinc/92/15/75/582921575.db2.gz COZKIEBPSBKVIY-FNFFVJSTSA-N 2 1 294.399 -0.737 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000830134283 582921578 /nfs/dbraw/zinc/92/15/78/582921578.db2.gz COZKIEBPSBKVIY-FNFFVJSTSA-N 2 1 294.399 -0.737 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000831971512 583009275 /nfs/dbraw/zinc/00/92/75/583009275.db2.gz ZRMNJJDTCVFGQO-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000831971413 583009493 /nfs/dbraw/zinc/00/94/93/583009493.db2.gz XGJZNRSARQGUSJ-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@H]1CCCC[NH2+]1)c1cnn(C)c1 ZINC000832458115 583026183 /nfs/dbraw/zinc/02/61/83/583026183.db2.gz CKZSTSKUGIEEGE-NEPJUHHUSA-N 2 1 265.361 -0.061 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000841791361 583174492 /nfs/dbraw/zinc/17/44/92/583174492.db2.gz VEMRBYRDPCIMIN-NXEZZACHSA-N 2 1 292.330 -0.257 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000841791361 583174495 /nfs/dbraw/zinc/17/44/95/583174495.db2.gz VEMRBYRDPCIMIN-NXEZZACHSA-N 2 1 292.330 -0.257 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000841791364 583174579 /nfs/dbraw/zinc/17/45/79/583174579.db2.gz VEMRBYRDPCIMIN-ZJUUUORDSA-N 2 1 292.330 -0.257 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000841791364 583174581 /nfs/dbraw/zinc/17/45/81/583174581.db2.gz VEMRBYRDPCIMIN-ZJUUUORDSA-N 2 1 292.330 -0.257 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)c1cc(OC)ccc1OC ZINC000843082106 583200867 /nfs/dbraw/zinc/20/08/67/583200867.db2.gz XZIGTCYPTFGMHS-ZWNOBZJWSA-N 2 1 284.356 -0.093 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843475249 583224943 /nfs/dbraw/zinc/22/49/43/583224943.db2.gz HMLKCZNMFBNIEZ-ZWNOBZJWSA-N 2 1 281.335 -0.405 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844168893 583255683 /nfs/dbraw/zinc/25/56/83/583255683.db2.gz CVAAMCLLAKLJMI-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP CC[NH2+]CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000844191204 583259874 /nfs/dbraw/zinc/25/98/74/583259874.db2.gz TUBRZTNFEPDGIT-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CC[NH+](CCCNC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844191309 583259909 /nfs/dbraw/zinc/25/99/09/583259909.db2.gz LHEVAITWJVOEOB-CQSZACIVSA-N 2 1 298.431 -0.491 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000846674304 583382070 /nfs/dbraw/zinc/38/20/70/583382070.db2.gz WMDKFOBSWDPUCV-ZJUUUORDSA-N 2 1 277.315 -0.050 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000846674304 583382073 /nfs/dbraw/zinc/38/20/73/583382073.db2.gz WMDKFOBSWDPUCV-ZJUUUORDSA-N 2 1 277.315 -0.050 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846674474 583382200 /nfs/dbraw/zinc/38/22/00/583382200.db2.gz YZBMLYSFEJYXCR-ABHRYQDASA-N 2 1 295.383 -0.798 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCOCC1 ZINC000848980717 583463630 /nfs/dbraw/zinc/46/36/30/583463630.db2.gz LAWPRVCYLVPJQS-ZDUSSCGKSA-N 2 1 283.420 -0.083 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nncn1C ZINC000848992213 583465075 /nfs/dbraw/zinc/46/50/75/583465075.db2.gz XNPPVZNVFYBHDM-SNVBAGLBSA-N 2 1 265.365 -0.087 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=[NH2+])NC2CC2)C1 ZINC000848999188 583465304 /nfs/dbraw/zinc/46/53/04/583465304.db2.gz ATTVPCMWNXZCOI-SNVBAGLBSA-N 2 1 267.377 -0.150 20 0 CBADMP C[C@H](CNC1=[NH+]CCN1C)CN1CC[NH+](C)CC1 ZINC000848994288 583465484 /nfs/dbraw/zinc/46/54/84/583465484.db2.gz BEASQCMAMDFVQK-GFCCVEGCSA-N 2 1 253.394 -0.239 20 0 CBADMP CC(C)(CO)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849013986 583467806 /nfs/dbraw/zinc/46/78/06/583467806.db2.gz WGZQWTRLXWSZQH-UHFFFAOYSA-N 2 1 272.393 -0.159 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCNC(=O)C1 ZINC000849017219 583468091 /nfs/dbraw/zinc/46/80/91/583468091.db2.gz MUOYFHGFCCFKEZ-GFCCVEGCSA-N 2 1 296.419 -0.984 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOCCO ZINC000849016498 583468171 /nfs/dbraw/zinc/46/81/71/583468171.db2.gz KPMOGNPKEKSUQE-LBPRGKRZSA-N 2 1 272.393 -0.016 20 0 CBADMP Cn1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)nn1 ZINC000849017596 583468606 /nfs/dbraw/zinc/46/86/06/583468606.db2.gz VWVPSYNTXHEDEE-UHFFFAOYSA-N 2 1 281.364 -0.849 20 0 CBADMP COCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCCO ZINC000849033966 583469901 /nfs/dbraw/zinc/46/99/01/583469901.db2.gz GPXPKJTZBMEWPG-NSHDSACASA-N 2 1 258.366 -0.406 20 0 CBADMP [NH2+]=C(NCC[NH+]1CCC(O)CC1)NC[C@@H]1CCCO1 ZINC000849038890 583470555 /nfs/dbraw/zinc/47/05/55/583470555.db2.gz WQBRWRAEWWYZLV-LBPRGKRZSA-N 2 1 270.377 -0.264 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)Cn1ccnn1 ZINC000849041096 583471211 /nfs/dbraw/zinc/47/12/11/583471211.db2.gz KCOHRHVVZKFSDW-NWDGAFQWSA-N 2 1 295.391 -0.763 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)N(C)OC ZINC000849043826 583471577 /nfs/dbraw/zinc/47/15/77/583471577.db2.gz ILXZQLCIMUKXFP-JTQLQIEISA-N 2 1 271.365 -0.396 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H](C(N)=O)C1 ZINC000849047607 583471876 /nfs/dbraw/zinc/47/18/76/583471876.db2.gz PGPAJOWDZWIBSQ-OUAUKWLOSA-N 2 1 267.377 -0.151 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC2=[NH+]CCCCN2)C1 ZINC000849216094 583473951 /nfs/dbraw/zinc/47/39/51/583473951.db2.gz UHCRDNOVRDHAGR-GFCCVEGCSA-N 2 1 281.404 -0.097 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH2+]C)C1 ZINC000851691617 583522428 /nfs/dbraw/zinc/52/24/28/583522428.db2.gz PMJLFNMTKOGUCM-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852753739 583551844 /nfs/dbraw/zinc/55/18/44/583551844.db2.gz HHRJVDNWDGNLKU-ZDUSSCGKSA-N 2 1 253.346 -0.173 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852753739 583551846 /nfs/dbraw/zinc/55/18/46/583551846.db2.gz HHRJVDNWDGNLKU-ZDUSSCGKSA-N 2 1 253.346 -0.173 20 0 CBADMP COC(=O)[C@@]1(F)CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000852753886 583551849 /nfs/dbraw/zinc/55/18/49/583551849.db2.gz UWIGBBDENHSWRM-CYBMUJFWSA-N 2 1 287.335 -0.605 20 0 CBADMP COC(=O)[C@@]1(F)CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000852753886 583551851 /nfs/dbraw/zinc/55/18/51/583551851.db2.gz UWIGBBDENHSWRM-CYBMUJFWSA-N 2 1 287.335 -0.605 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852863730 583563180 /nfs/dbraw/zinc/56/31/80/583563180.db2.gz RNRLTIBWPOBHOG-SECBINFHSA-N 2 1 251.290 -0.589 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852871065 583565178 /nfs/dbraw/zinc/56/51/78/583565178.db2.gz UTKVJOVKFOMGOK-JTQLQIEISA-N 2 1 272.349 -0.826 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852884552 583567968 /nfs/dbraw/zinc/56/79/68/583567968.db2.gz HRVWOFKGEPKQAJ-GFCCVEGCSA-N 2 1 297.403 -0.814 20 0 CBADMP C[C@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000852898323 583572086 /nfs/dbraw/zinc/57/20/86/583572086.db2.gz YNUNFQHFTBSHQV-WISYIIOYSA-N 2 1 298.387 -0.296 20 0 CBADMP C[C@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000852898323 583572087 /nfs/dbraw/zinc/57/20/87/583572087.db2.gz YNUNFQHFTBSHQV-WISYIIOYSA-N 2 1 298.387 -0.296 20 0 CBADMP O=C(C=C1CC[NH2+]CC1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000852914070 583574034 /nfs/dbraw/zinc/57/40/34/583574034.db2.gz MABBAXQHQGCMIF-AWEZNQCLSA-N 2 1 278.400 -0.198 20 0 CBADMP CN(CC1C[NH+](C)C1)C(=O)CC[NH+]1CCOCC1 ZINC000855638676 583644664 /nfs/dbraw/zinc/64/46/64/583644664.db2.gz PWXTYKGDFWBHCV-UHFFFAOYSA-N 2 1 255.362 -0.271 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000857108944 583665157 /nfs/dbraw/zinc/66/51/57/583665157.db2.gz SQJMOYUFVDCDOH-TUAOUCFPSA-N 2 1 272.393 -0.180 20 0 CBADMP C[NH+](C)C[C@@H]1CCCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000858377725 583693345 /nfs/dbraw/zinc/69/33/45/583693345.db2.gz BSDPKHNJXRTWSS-QMMMGPOBSA-N 2 1 251.338 -0.186 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860155844 583739237 /nfs/dbraw/zinc/73/92/37/583739237.db2.gz ACANEGWTOAPMBO-DGCLKSJQSA-N 2 1 295.383 -0.308 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860155844 583739238 /nfs/dbraw/zinc/73/92/38/583739238.db2.gz ACANEGWTOAPMBO-DGCLKSJQSA-N 2 1 295.383 -0.308 20 0 CBADMP O=C1OC[C@@H]2C[N@@H+](CCC[NH+]3C[C@@H]4COC(=O)[C@@H]4C3)C[C@H]12 ZINC000860164517 583740104 /nfs/dbraw/zinc/74/01/04/583740104.db2.gz INVPMNCLGIZESV-MPZDIEGVSA-N 2 1 294.351 -0.414 20 0 CBADMP O=C1OC[C@@H]2C[NH+](CCC[N@@H+]3C[C@@H]4COC(=O)[C@@H]4C3)C[C@H]12 ZINC000860164517 583740107 /nfs/dbraw/zinc/74/01/07/583740107.db2.gz INVPMNCLGIZESV-MPZDIEGVSA-N 2 1 294.351 -0.414 20 0 CBADMP O=C1OC[C@@H]2C[NH+](CCC[N@H+]3C[C@@H]4COC(=O)[C@@H]4C3)C[C@H]12 ZINC000860164517 583740110 /nfs/dbraw/zinc/74/01/10/583740110.db2.gz INVPMNCLGIZESV-MPZDIEGVSA-N 2 1 294.351 -0.414 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861573126 583771316 /nfs/dbraw/zinc/77/13/16/583771316.db2.gz BENFFTURIZGBHI-QJPTWQEYSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861573127 583771349 /nfs/dbraw/zinc/77/13/49/583771349.db2.gz BENFFTURIZGBHI-SDDRHHMPSA-N 2 1 270.377 -0.162 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N[C@@H]1CC[NH2+]C1 ZINC000861573249 583771407 /nfs/dbraw/zinc/77/14/07/583771407.db2.gz CRAMTENYEWFRCZ-WOPDTQHZSA-N 2 1 268.361 -0.489 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@@H]1CC[NH2+]C1 ZINC000861573172 583771429 /nfs/dbraw/zinc/77/14/29/583771429.db2.gz CRAMTENYEWFRCZ-GRYCIOLGSA-N 2 1 268.361 -0.489 20 0 CBADMP C[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000861613794 583772291 /nfs/dbraw/zinc/77/22/91/583772291.db2.gz PGFZEGINMCIGMQ-HBNTYKKESA-N 2 1 258.366 -0.306 20 0 CBADMP C[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000861613794 583772292 /nfs/dbraw/zinc/77/22/92/583772292.db2.gz PGFZEGINMCIGMQ-HBNTYKKESA-N 2 1 258.366 -0.306 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861759646 583784756 /nfs/dbraw/zinc/78/47/56/583784756.db2.gz OANNGAMKWNBDAI-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1=CC[N@@H+](C)CC1 ZINC000861763375 583785056 /nfs/dbraw/zinc/78/50/56/583785056.db2.gz WGVFGVGOLIHSHQ-WDEREUQCSA-N 2 1 282.388 -0.441 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000861765247 583785306 /nfs/dbraw/zinc/78/53/06/583785306.db2.gz OZMRPULKKVNDMA-PWSUYJOCSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000861765246 583785365 /nfs/dbraw/zinc/78/53/65/583785365.db2.gz OZMRPULKKVNDMA-JQWIXIFHSA-N 2 1 282.388 -0.608 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861779780 583786075 /nfs/dbraw/zinc/78/60/75/583786075.db2.gz CVHZGTKIZMSQSW-GFCCVEGCSA-N 2 1 286.420 -0.114 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C(C)C ZINC000861813115 583788341 /nfs/dbraw/zinc/78/83/41/583788341.db2.gz MBPOXDHNCLHCAE-NWDGAFQWSA-N 2 1 284.404 -0.301 20 0 CBADMP C[NH+](C)CCCNC(=S)NCC[N@H+]1CC[C@H](O)C1 ZINC000863253569 583835959 /nfs/dbraw/zinc/83/59/59/583835959.db2.gz SNMURVOKKVPXNK-NSHDSACASA-N 2 1 274.434 -0.531 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863761267 583854255 /nfs/dbraw/zinc/85/42/55/583854255.db2.gz VXQBNIHAYWQFHP-NWDGAFQWSA-N 2 1 284.404 -0.409 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863761267 583854256 /nfs/dbraw/zinc/85/42/56/583854256.db2.gz VXQBNIHAYWQFHP-NWDGAFQWSA-N 2 1 284.404 -0.409 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000863774323 583856194 /nfs/dbraw/zinc/85/61/94/583856194.db2.gz VBMMNIITMAYOGG-MXWKQRLJSA-N 2 1 270.377 -0.657 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000863774323 583856196 /nfs/dbraw/zinc/85/61/96/583856196.db2.gz VBMMNIITMAYOGG-MXWKQRLJSA-N 2 1 270.377 -0.657 20 0 CBADMP C[N@H+](CC(=O)NC1CC[NH+](CC(N)=O)CC1)C1CCC1 ZINC000863853152 583859945 /nfs/dbraw/zinc/85/99/45/583859945.db2.gz ABFFDOKLHHDMFG-UHFFFAOYSA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@@H+](CC(=O)NC1CC[NH+](CC(N)=O)CC1)C1CCC1 ZINC000863853152 583859947 /nfs/dbraw/zinc/85/99/47/583859947.db2.gz ABFFDOKLHHDMFG-UHFFFAOYSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H](O)[C@@H](O)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000865739896 583908202 /nfs/dbraw/zinc/90/82/02/583908202.db2.gz XKJPBYKOTNVUCH-YPMHNXCESA-N 2 1 295.387 -0.940 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)C[C@H]2C1=O ZINC000866702171 583927757 /nfs/dbraw/zinc/92/77/57/583927757.db2.gz WLXFVRBMYRRPOS-UTUOFQBUSA-N 2 1 265.357 -0.077 20 0 CBADMP CCCNC(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706974 583927792 /nfs/dbraw/zinc/92/77/92/583927792.db2.gz GOMJKRGHXOFNJN-TUAOUCFPSA-N 2 1 296.371 -0.621 20 0 CBADMP CCCNC(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706974 583927794 /nfs/dbraw/zinc/92/77/94/583927794.db2.gz GOMJKRGHXOFNJN-TUAOUCFPSA-N 2 1 296.371 -0.621 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(CCC(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000866703170 583927861 /nfs/dbraw/zinc/92/78/61/583927861.db2.gz GEXAFMAKZSYIAG-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP COC[C@H](C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)OC ZINC000866711047 583928052 /nfs/dbraw/zinc/92/80/52/583928052.db2.gz AOAPJIFRUFRUSB-RVMXOQNASA-N 2 1 299.371 -0.485 20 0 CBADMP Cn1nccc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711382 583928162 /nfs/dbraw/zinc/92/81/62/583928162.db2.gz JOQBDCHWUOOQDD-XQQFMLRXSA-N 2 1 291.355 -0.213 20 0 CBADMP Cn1nccc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711382 583928164 /nfs/dbraw/zinc/92/81/64/583928164.db2.gz JOQBDCHWUOOQDD-XQQFMLRXSA-N 2 1 291.355 -0.213 20 0 CBADMP COC(=O)CCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712767 583928327 /nfs/dbraw/zinc/92/83/27/583928327.db2.gz WOTCVSPTRZWOPM-UTUOFQBUSA-N 2 1 297.355 -0.194 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712488 583928426 /nfs/dbraw/zinc/92/84/26/583928426.db2.gz UPWMMXDXUDEZIX-DBIOUOCHSA-N 2 1 282.344 -0.883 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712488 583928427 /nfs/dbraw/zinc/92/84/27/583928427.db2.gz UPWMMXDXUDEZIX-DBIOUOCHSA-N 2 1 282.344 -0.883 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000866714393 583928434 /nfs/dbraw/zinc/92/84/34/583928434.db2.gz NTHCLWFHBBUMGI-FRRDWIJNSA-N 2 1 291.355 -0.250 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)[C@@H]12 ZINC000866717675 583928585 /nfs/dbraw/zinc/92/85/85/583928585.db2.gz MCEXCXHNWUFQKT-YNEHKIRRSA-N 2 1 295.383 -0.513 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)[C@@H]12 ZINC000866717675 583928587 /nfs/dbraw/zinc/92/85/87/583928587.db2.gz MCEXCXHNWUFQKT-YNEHKIRRSA-N 2 1 295.383 -0.513 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[NH2+]CC3)CC[C@@H]21 ZINC000868386690 583976678 /nfs/dbraw/zinc/97/66/78/583976678.db2.gz KNAUPMUFLXFSBC-STQMWFEESA-N 2 1 294.399 -0.639 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC[C@H]21 ZINC000868388593 583976833 /nfs/dbraw/zinc/97/68/33/583976833.db2.gz XVPRHDTUYGFABK-YNEHKIRRSA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC[C@H]21 ZINC000868388374 583976879 /nfs/dbraw/zinc/97/68/79/583976879.db2.gz STBBUPSZFJWYFR-JHJVBQTASA-N 2 1 294.399 -0.511 20 0 CBADMP 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 583977058 /nfs/dbraw/zinc/97/70/58/583977058.db2.gz MRJISWLZUSOCMM-FDYHWXHSSA-N 2 1 294.399 -0.655 20 0 CBADMP 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 583977325 /nfs/dbraw/zinc/97/73/25/583977325.db2.gz AYRPGJRQKZNHJU-VOAKCMCISA-N 2 1 292.383 -0.888 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868395139 583977337 /nfs/dbraw/zinc/97/73/37/583977337.db2.gz HBDOOLURMLLEIX-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)C[C@H]1[NH3+] ZINC000868407110 583978171 /nfs/dbraw/zinc/97/81/71/583978171.db2.gz SJFMGTKIMYSYRQ-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](O)c1c[nH]cn1 ZINC000869236587 583995999 /nfs/dbraw/zinc/99/59/99/583995999.db2.gz CTIKXVYICWCGDW-AAEUAGOBSA-N 2 1 297.403 -0.169 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](O)c1c[nH]cn1 ZINC000869236587 583996001 /nfs/dbraw/zinc/99/60/01/583996001.db2.gz CTIKXVYICWCGDW-AAEUAGOBSA-N 2 1 297.403 -0.169 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870982273 584024027 /nfs/dbraw/zinc/02/40/27/584024027.db2.gz MEFJBTJPWXUSOH-SRVKXCTJSA-N 2 1 255.362 -0.097 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870983865 584024421 /nfs/dbraw/zinc/02/44/21/584024421.db2.gz YWMUKAXCIQTAEZ-DCAQKATOSA-N 2 1 269.345 -0.571 20 0 CBADMP COCCN(C)C(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000871603956 584043319 /nfs/dbraw/zinc/04/33/19/584043319.db2.gz NYGPRAREGWMONK-NWDGAFQWSA-N 2 1 270.377 -0.048 20 0 CBADMP COCCN(C)C(=[NH2+])NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000871603941 584043362 /nfs/dbraw/zinc/04/33/62/584043362.db2.gz NBWNZHKGPNVXDL-LBPRGKRZSA-N 2 1 299.419 -0.324 20 0 CBADMP COCCN(C)C(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000871603955 584043461 /nfs/dbraw/zinc/04/34/61/584043461.db2.gz NYGPRAREGWMONK-NEPJUHHUSA-N 2 1 270.377 -0.048 20 0 CBADMP Cn1nnnc1CC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872149854 584048207 /nfs/dbraw/zinc/04/82/07/584048207.db2.gz RGUAHNWDDXOIGM-SFYZADRCSA-N 2 1 278.282 -0.178 20 0 CBADMP Cn1nnnc1CC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872149854 584048210 /nfs/dbraw/zinc/04/82/10/584048210.db2.gz RGUAHNWDDXOIGM-SFYZADRCSA-N 2 1 278.282 -0.178 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(c2nnnn2C)CC1 ZINC000872146518 584048232 /nfs/dbraw/zinc/04/82/32/584048232.db2.gz POVIBZKRWBLQSV-GFCCVEGCSA-N 2 1 268.365 -0.640 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000872218198 584050767 /nfs/dbraw/zinc/05/07/67/584050767.db2.gz KWYNXQXCOABEKD-UONOGXRCSA-N 2 1 285.432 -0.122 20 0 CBADMP C[C@H](O)[C@@H](O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872224483 584050965 /nfs/dbraw/zinc/05/09/65/584050965.db2.gz FBLZWBTVYUVQAV-BPUTZDHNSA-N 2 1 294.395 -0.045 20 0 CBADMP C[C@H](O)[C@H](O)CNC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000872225379 584051030 /nfs/dbraw/zinc/05/10/30/584051030.db2.gz JGJXZXPJOWIDJH-NWANDNLSSA-N 2 1 282.384 -0.189 20 0 CBADMP C[C@H](O)[C@H](O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872224485 584051117 /nfs/dbraw/zinc/05/11/17/584051117.db2.gz FBLZWBTVYUVQAV-IMJJTQAJSA-N 2 1 294.395 -0.045 20 0 CBADMP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000872229799 584051772 /nfs/dbraw/zinc/05/17/72/584051772.db2.gz SQXQGPDBZYWFAP-KGYLQXTDSA-N 2 1 286.372 -0.391 20 0 CBADMP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000872229799 584051773 /nfs/dbraw/zinc/05/17/73/584051773.db2.gz SQXQGPDBZYWFAP-KGYLQXTDSA-N 2 1 286.372 -0.391 20 0 CBADMP C[C@@]1(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]C1 ZINC000872257789 584052372 /nfs/dbraw/zinc/05/23/72/584052372.db2.gz XACNRVNHNVQJMT-GUIRCDHDSA-N 3 1 294.399 -0.147 20 0 CBADMP C[C@@]1(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]C1 ZINC000872257789 584052374 /nfs/dbraw/zinc/05/23/74/584052374.db2.gz XACNRVNHNVQJMT-GUIRCDHDSA-N 3 1 294.399 -0.147 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](C[C@]3(C)CC[NH2+]C3)C[C@H]2C1=O ZINC000873220795 584068862 /nfs/dbraw/zinc/06/88/62/584068862.db2.gz YOKNTAAPOCVHDF-GBIKHYSHSA-N 2 1 251.330 -0.467 20 0 CBADMP C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)[C@@H]1CCC[NH2+]1 ZINC000873264961 584069442 /nfs/dbraw/zinc/06/94/42/584069442.db2.gz FVUHYJYCNHIUQI-MBNYWOFBSA-N 2 1 283.372 -0.656 20 0 CBADMP C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)[C@H]1CCC[NH2+]1 ZINC000873264963 584069545 /nfs/dbraw/zinc/06/95/45/584069545.db2.gz FVUHYJYCNHIUQI-OUCADQQQSA-N 2 1 283.372 -0.656 20 0 CBADMP CC[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)[C@@H]1CCC[NH2+]1 ZINC000873266507 584069780 /nfs/dbraw/zinc/06/97/80/584069780.db2.gz OATPMPTYWUPIHZ-VNHYZAJKSA-N 2 1 297.399 -0.266 20 0 CBADMP O=C(C[NH+]1CCCC1)NCCC[NH+]1CCOCC1 ZINC000873734394 584073650 /nfs/dbraw/zinc/07/36/50/584073650.db2.gz ZZFYLAFHTGOCEE-UHFFFAOYSA-N 2 1 255.362 -0.079 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+](C)C ZINC000874253196 584079361 /nfs/dbraw/zinc/07/93/61/584079361.db2.gz KEBYRPAEYRPZQV-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000874430846 584083849 /nfs/dbraw/zinc/08/38/49/584083849.db2.gz OPTLWFDDLSKMNB-TXEJJXNPSA-N 2 1 270.377 -0.255 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC000874456428 584085039 /nfs/dbraw/zinc/08/50/39/584085039.db2.gz BEJOFNGOJNSNJV-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876707324 584140430 /nfs/dbraw/zinc/14/04/30/584140430.db2.gz BGLXJKDANSJLPG-NWDGAFQWSA-N 2 1 273.352 -0.228 20 0 CBADMP COC[C@]1(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C[NH2+]CCO1 ZINC000876728469 584141407 /nfs/dbraw/zinc/14/14/07/584141407.db2.gz MXIBHFBAAFSYRV-ZFWWWQNUSA-N 2 1 299.415 -0.208 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000876743673 584141777 /nfs/dbraw/zinc/14/17/77/584141777.db2.gz HHHVDRZUUARRLO-ABHRYQDASA-N 2 1 297.399 -0.267 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876745069 584141917 /nfs/dbraw/zinc/14/19/17/584141917.db2.gz YPZOFERSIFZYSP-LOWDOPEQSA-N 2 1 285.363 -0.087 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876744938 584141990 /nfs/dbraw/zinc/14/19/90/584141990.db2.gz HTTKOUSIDYXMKW-MNOVXSKESA-N 2 1 261.341 -0.372 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876751282 584142218 /nfs/dbraw/zinc/14/22/18/584142218.db2.gz OIRHNYCOUCWYBG-DZGCQCFKSA-N 2 1 299.415 -0.018 20 0 CBADMP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000876753460 584142347 /nfs/dbraw/zinc/14/23/47/584142347.db2.gz KZGHJLRHTZNLBJ-XJFOESAGSA-N 2 1 299.390 -0.008 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876749624 584142404 /nfs/dbraw/zinc/14/24/04/584142404.db2.gz BHXHRVIRPGQWEX-NEPJUHHUSA-N 2 1 272.393 -0.898 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876751285 584142456 /nfs/dbraw/zinc/14/24/56/584142456.db2.gz OIRHNYCOUCWYBG-ZFWWWQNUSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000876775099 584143797 /nfs/dbraw/zinc/14/37/97/584143797.db2.gz OHPQCTZGUCXBFO-UKRRQHHQSA-N 2 1 299.415 -0.208 20 0 CBADMP COC[C@]1(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)C[NH2+]CCO1 ZINC000876783359 584144282 /nfs/dbraw/zinc/14/42/82/584144282.db2.gz ZXXZEFLWXCXCRU-WHOFXGATSA-N 2 1 297.399 -0.410 20 0 CBADMP COC[C@]1(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)C[NH2+]CCO1 ZINC000876783360 584144291 /nfs/dbraw/zinc/14/42/91/584144291.db2.gz ZXXZEFLWXCXCRU-ZLDLUXBVSA-N 2 1 297.399 -0.410 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876780400 584144304 /nfs/dbraw/zinc/14/43/04/584144304.db2.gz GOPKLWWOVAJEHH-ZDUSSCGKSA-N 2 1 285.436 -0.981 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000876783516 584144523 /nfs/dbraw/zinc/14/45/23/584144523.db2.gz FHXJNAOCEFEDAE-KGLIPLIRSA-N 2 1 297.447 -0.886 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876784049 584144584 /nfs/dbraw/zinc/14/45/84/584144584.db2.gz VPACREMOVNBGPB-GRYCIOLGSA-N 2 1 268.405 -0.278 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000876829696 584147799 /nfs/dbraw/zinc/14/77/99/584147799.db2.gz PKICJPIUYPLKQQ-WCQYABFASA-N 2 1 264.373 -0.091 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000876829696 584147801 /nfs/dbraw/zinc/14/78/01/584147801.db2.gz PKICJPIUYPLKQQ-WCQYABFASA-N 2 1 264.373 -0.091 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000876829695 584147831 /nfs/dbraw/zinc/14/78/31/584147831.db2.gz PKICJPIUYPLKQQ-AAEUAGOBSA-N 2 1 264.373 -0.091 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000876829695 584147832 /nfs/dbraw/zinc/14/78/32/584147832.db2.gz PKICJPIUYPLKQQ-AAEUAGOBSA-N 2 1 264.373 -0.091 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000876884676 584153061 /nfs/dbraw/zinc/15/30/61/584153061.db2.gz RONNFFCTRZKIAH-SDDRHHMPSA-N 2 1 256.394 -0.326 20 0 CBADMP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CNCCO2)C[C@H]1C[NH+](C)C ZINC000877143520 584167973 /nfs/dbraw/zinc/16/79/73/584167973.db2.gz QNEMDHDJRKUMJW-MCIONIFRSA-N 2 1 298.431 -0.827 20 0 CBADMP COC[C@]1(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)C[NH2+]CCO1 ZINC000877206592 584170633 /nfs/dbraw/zinc/17/06/33/584170633.db2.gz MLOXTZZKXXGBSC-HNNXBMFYSA-N 2 1 299.415 -0.066 20 0 CBADMP COC[C@@]1(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)C[NH2+]CCO1 ZINC000877251297 584172853 /nfs/dbraw/zinc/17/28/53/584172853.db2.gz MBWCYWXZKLLCAV-UKRRQHHQSA-N 2 1 299.415 -0.210 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)N1CC[NH+](C)CC1 ZINC000877277175 584175408 /nfs/dbraw/zinc/17/54/08/584175408.db2.gz KQIUDPUDNHJJTO-MCIONIFRSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[NH+](C)CC1 ZINC000877277177 584175483 /nfs/dbraw/zinc/17/54/83/584175483.db2.gz KQIUDPUDNHJJTO-RDBSUJKOSA-N 2 1 280.416 -0.025 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000877451530 584182280 /nfs/dbraw/zinc/18/22/80/584182280.db2.gz QJRXJUWDGZOOSH-BZPMIXESSA-N 2 1 296.415 -0.219 20 0 CBADMP COC[C@]1(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)C[NH2+]CCO1 ZINC000877451452 584182338 /nfs/dbraw/zinc/18/23/38/584182338.db2.gz MLQXUMHYSUDQCY-NFAWXSAZSA-N 2 1 297.399 -0.314 20 0 CBADMP COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000877969640 584189188 /nfs/dbraw/zinc/18/91/88/584189188.db2.gz AUHUGGHUBYRAIM-NSHDSACASA-N 2 1 285.388 -0.062 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2CC(N)=O)CC1 ZINC000878053172 584191527 /nfs/dbraw/zinc/19/15/27/584191527.db2.gz VSOGVEPDOBBFRN-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878052599 584191551 /nfs/dbraw/zinc/19/15/51/584191551.db2.gz NKJWXTZPJVOJCY-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](O)CC[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878133805 584193810 /nfs/dbraw/zinc/19/38/10/584193810.db2.gz MVMLYHWGFLWLKB-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000878288062 584198410 /nfs/dbraw/zinc/19/84/10/584198410.db2.gz NLOJVWDNTDXODT-FRRDWIJNSA-N 2 1 294.403 -0.064 20 0 CBADMP Cn1nnnc1CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000878288062 584198414 /nfs/dbraw/zinc/19/84/14/584198414.db2.gz NLOJVWDNTDXODT-FRRDWIJNSA-N 2 1 294.403 -0.064 20 0 CBADMP C[C@H]1C[N@H+](CCn2cnnn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878324933 584199830 /nfs/dbraw/zinc/19/98/30/584199830.db2.gz PPAAOAYGQUJLCG-KBPBESRZSA-N 2 1 293.419 -0.369 20 0 CBADMP C[C@H]1C[N@@H+](CCn2cnnn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878324933 584199833 /nfs/dbraw/zinc/19/98/33/584199833.db2.gz PPAAOAYGQUJLCG-KBPBESRZSA-N 2 1 293.419 -0.369 20 0 CBADMP C[C@@H](O)C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H](C)CO ZINC000878486858 584205168 /nfs/dbraw/zinc/20/51/68/584205168.db2.gz ISNZMIKXXBVVDQ-NWDGAFQWSA-N 2 1 287.404 -0.740 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@H]1CO ZINC000878485175 584205263 /nfs/dbraw/zinc/20/52/63/584205263.db2.gz IZXFHYORZZHHMZ-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878684555 584213536 /nfs/dbraw/zinc/21/35/36/584213536.db2.gz JEGDFWROSHJLNE-ZYHUDNBSSA-N 2 1 255.362 -0.348 20 0 CBADMP COCC[N@@H+](Cc1nc(=O)n(C)[nH]1)CC1CC[NH+](C)CC1 ZINC000879126257 584227082 /nfs/dbraw/zinc/22/70/82/584227082.db2.gz WMKGPFQKHKAYBC-UHFFFAOYSA-N 2 1 297.403 -0.101 20 0 CBADMP COCC[N@H+](Cc1nc(=O)n(C)[nH]1)CC1CC[NH+](C)CC1 ZINC000879126257 584227083 /nfs/dbraw/zinc/22/70/83/584227083.db2.gz WMKGPFQKHKAYBC-UHFFFAOYSA-N 2 1 297.403 -0.101 20 0 CBADMP CO[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)[C@](C)(CO)C1 ZINC000879261450 584231139 /nfs/dbraw/zinc/23/11/39/584231139.db2.gz KMRDAZHRJZEZAT-ZFWWWQNUSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580328 584242000 /nfs/dbraw/zinc/24/20/00/584242000.db2.gz SNQXOZQYBLCZPE-QLFBSQMISA-N 2 1 285.432 -0.049 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580328 584242003 /nfs/dbraw/zinc/24/20/03/584242003.db2.gz SNQXOZQYBLCZPE-QLFBSQMISA-N 2 1 285.432 -0.049 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580328 584242005 /nfs/dbraw/zinc/24/20/05/584242005.db2.gz SNQXOZQYBLCZPE-QLFBSQMISA-N 2 1 285.432 -0.049 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(CO)(CO)CC2)CC1 ZINC000879970852 584257331 /nfs/dbraw/zinc/25/73/31/584257331.db2.gz FMSBBVWFFMXBGR-UHFFFAOYSA-N 2 1 299.415 -0.783 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000879998382 584259026 /nfs/dbraw/zinc/25/90/26/584259026.db2.gz RKFTYVHNAXLEIE-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000879998621 584259414 /nfs/dbraw/zinc/25/94/14/584259414.db2.gz WQBVNCFQACJXJZ-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000879998621 584259415 /nfs/dbraw/zinc/25/94/15/584259415.db2.gz WQBVNCFQACJXJZ-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC000880072649 584260878 /nfs/dbraw/zinc/26/08/78/584260878.db2.gz GAIIZVWWLLXNKQ-MJBXVCDLSA-N 2 1 271.405 -0.560 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880072649 584260880 /nfs/dbraw/zinc/26/08/80/584260880.db2.gz GAIIZVWWLLXNKQ-MJBXVCDLSA-N 2 1 271.405 -0.560 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880072649 584260882 /nfs/dbraw/zinc/26/08/82/584260882.db2.gz GAIIZVWWLLXNKQ-MJBXVCDLSA-N 2 1 271.405 -0.560 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1CO)C1CC1 ZINC000880072970 584260936 /nfs/dbraw/zinc/26/09/36/584260936.db2.gz NSVRYYCVYOMQLH-RRFJBIMHSA-N 2 1 283.416 -0.418 20 0 CBADMP C[NH+](C[C@@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)C1CC1 ZINC000880072970 584260937 /nfs/dbraw/zinc/26/09/37/584260937.db2.gz NSVRYYCVYOMQLH-RRFJBIMHSA-N 2 1 283.416 -0.418 20 0 CBADMP C[NH+](C[C@@H](O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)C1CC1 ZINC000880072970 584260938 /nfs/dbraw/zinc/26/09/38/584260938.db2.gz NSVRYYCVYOMQLH-RRFJBIMHSA-N 2 1 283.416 -0.418 20 0 CBADMP CO[C@@H]1COCC[C@@H]1[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000880433671 584273688 /nfs/dbraw/zinc/27/36/88/584273688.db2.gz ZBPIKOMIEULZCD-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CO[C@@H]1COCC[C@@H]1[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000880433671 584273690 /nfs/dbraw/zinc/27/36/90/584273690.db2.gz ZBPIKOMIEULZCD-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CO[C@H]1COCC[C@@H]1[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000880434812 584273742 /nfs/dbraw/zinc/27/37/42/584273742.db2.gz GWRJWUCXVJVQRM-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)CN1CC[NH+](CC)CC1 ZINC000882487281 584318662 /nfs/dbraw/zinc/31/86/62/584318662.db2.gz CHIWPXWEKKGHHM-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCn3cnnn3)C2)C1 ZINC000883434727 584342312 /nfs/dbraw/zinc/34/23/12/584342312.db2.gz ZMFCTHUOAMFCOY-YNEHKIRRSA-N 2 1 280.376 -0.109 20 0 CBADMP O=C1NCC[C@@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)[C@H]12 ZINC000883462325 584343227 /nfs/dbraw/zinc/34/32/27/584343227.db2.gz OHZYPAPVUNOWBD-STQMWFEESA-N 2 1 266.389 -0.508 20 0 CBADMP CO[C@H]1COCC[C@@H]1[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000883461593 584343300 /nfs/dbraw/zinc/34/33/00/584343300.db2.gz YIETWJAGTJZHGO-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP O=C(CC[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21)N1CC[NH2+]CC1 ZINC000883462220 584343355 /nfs/dbraw/zinc/34/33/55/584343355.db2.gz MILOLRGFBQZWEU-OCCSQVGLSA-N 2 1 294.399 -0.591 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1(C)C ZINC000883638119 584345817 /nfs/dbraw/zinc/34/58/17/584345817.db2.gz DJZSFUSXERGVMK-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1(C)C ZINC000883638119 584345819 /nfs/dbraw/zinc/34/58/19/584345819.db2.gz DJZSFUSXERGVMK-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCCOCC[NH+](C)C ZINC000883639536 584345870 /nfs/dbraw/zinc/34/58/70/584345870.db2.gz RMCMPXGDPLCRNZ-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000884183463 584364673 /nfs/dbraw/zinc/36/46/73/584364673.db2.gz NQWMSRWIKWIZDI-CHWSQXEVSA-N 2 1 287.404 -0.177 20 0 CBADMP C[NH2+][C@@H](CC(C)C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000884188480 584364724 /nfs/dbraw/zinc/36/47/24/584364724.db2.gz IOYKSGQDEDTTDI-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000884191241 584365090 /nfs/dbraw/zinc/36/50/90/584365090.db2.gz YUHMJRSRQPPGGO-LBPRGKRZSA-N 2 1 296.415 -0.441 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000884213164 584367821 /nfs/dbraw/zinc/36/78/21/584367821.db2.gz UXZBEYMQQDAZKQ-VXGBXAGGSA-N 2 1 255.362 -0.049 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000884220589 584368436 /nfs/dbraw/zinc/36/84/36/584368436.db2.gz XJBMAWCCAMILIZ-UPJWGTAASA-N 2 1 285.388 -0.280 20 0 CBADMP C[C@H](C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C)N1CC[NH+](C)CC1 ZINC000884360384 584376533 /nfs/dbraw/zinc/37/65/33/584376533.db2.gz ZHQNGDLUKWETQG-GRYCIOLGSA-N 2 1 268.405 -0.136 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389993 584378248 /nfs/dbraw/zinc/37/82/48/584378248.db2.gz LJMRNSVMEONFDG-WUHRBBMRSA-N 2 1 287.404 -0.036 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389993 584378250 /nfs/dbraw/zinc/37/82/50/584378250.db2.gz LJMRNSVMEONFDG-WUHRBBMRSA-N 2 1 287.404 -0.036 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000884553560 584387794 /nfs/dbraw/zinc/38/77/94/584387794.db2.gz BAOAOWSRPHJQIT-RHYQMDGZSA-N 2 1 294.399 -0.324 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[N@H+]1C1CC1 ZINC000884553971 584387873 /nfs/dbraw/zinc/38/78/73/584387873.db2.gz KWAAOBOMLXGWPR-ZPFDUUQYSA-N 2 1 292.383 -0.700 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884576640 584388708 /nfs/dbraw/zinc/38/87/08/584388708.db2.gz MKZPWZXJJISLSS-AGIUHOORSA-N 2 1 294.399 -0.593 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)C1CC1 ZINC000884601528 584389624 /nfs/dbraw/zinc/38/96/24/584389624.db2.gz NYNHXTGTZMNQIR-QWRGUYRKSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])[N@@H+](C)C1CC1 ZINC000884618260 584391165 /nfs/dbraw/zinc/39/11/65/584391165.db2.gz ZMODKRUYYMCTSI-JTQLQIEISA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+](C)C1CC1 ZINC000884617816 584391259 /nfs/dbraw/zinc/39/12/59/584391259.db2.gz SRDXUPPZTXEFSU-SDDRHHMPSA-N 2 1 294.399 -0.452 20 0 CBADMP CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884626857 584391641 /nfs/dbraw/zinc/39/16/41/584391641.db2.gz XIJUPJJOLVKGPO-RYUDHWBXSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884626143 584391702 /nfs/dbraw/zinc/39/17/02/584391702.db2.gz BFGHDCVWKLITKH-YVECIDJPSA-N 2 1 294.399 -0.323 20 0 CBADMP CC(C)([NH3+])CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884627330 584391726 /nfs/dbraw/zinc/39/17/26/584391726.db2.gz MCUZCJSNEZGZLC-NSHDSACASA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000884631559 584392269 /nfs/dbraw/zinc/39/22/69/584392269.db2.gz OFOGQMHFXNIJRJ-RAIGVLPGSA-N 2 1 294.399 -0.465 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000884670270 584393951 /nfs/dbraw/zinc/39/39/51/584393951.db2.gz UJIWPUCHGMWWNV-AGIUHOORSA-N 2 1 294.399 -0.321 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884676518 584394909 /nfs/dbraw/zinc/39/49/09/584394909.db2.gz PAGYAWCLNKHLNA-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC[C@@H]21 ZINC000884678756 584395408 /nfs/dbraw/zinc/39/54/08/584395408.db2.gz LSWZRDMAHKWYQD-UPJWGTAASA-N 2 1 294.399 -0.608 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1(C)C ZINC000884679004 584395515 /nfs/dbraw/zinc/39/55/15/584395515.db2.gz RVLCIBYKKRYDIO-NSHDSACASA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1(C)C ZINC000884679004 584395517 /nfs/dbraw/zinc/39/55/17/584395517.db2.gz RVLCIBYKKRYDIO-NSHDSACASA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1(C)C ZINC000884682709 584395525 /nfs/dbraw/zinc/39/55/25/584395525.db2.gz IQPFHFOGYFEPDX-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1(C)C ZINC000884682709 584395527 /nfs/dbraw/zinc/39/55/27/584395527.db2.gz IQPFHFOGYFEPDX-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884684780 584395945 /nfs/dbraw/zinc/39/59/45/584395945.db2.gz PIFSZRLJVUXVOL-GARJFASQSA-N 2 1 268.361 -0.998 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1(C)C ZINC000884686032 584396111 /nfs/dbraw/zinc/39/61/11/584396111.db2.gz WXDXTQOBOXKSRJ-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1(C)C ZINC000884686032 584396114 /nfs/dbraw/zinc/39/61/14/584396114.db2.gz WXDXTQOBOXKSRJ-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCC1(C)C ZINC000884689086 584397122 /nfs/dbraw/zinc/39/71/22/584397122.db2.gz YJODPGAZHAOKAE-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884704279 584398889 /nfs/dbraw/zinc/39/88/89/584398889.db2.gz ZLHSBQAFRZZMLI-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884704279 584398891 /nfs/dbraw/zinc/39/88/91/584398891.db2.gz ZLHSBQAFRZZMLI-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC[NH2+]1 ZINC000884718486 584400269 /nfs/dbraw/zinc/40/02/69/584400269.db2.gz GMJUYDQSEWKUQR-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC[NH2+]1 ZINC000884718486 584400272 /nfs/dbraw/zinc/40/02/72/584400272.db2.gz GMJUYDQSEWKUQR-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884723000 584400726 /nfs/dbraw/zinc/40/07/26/584400726.db2.gz UFAVEBHRTYVPOF-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000884824946 584404149 /nfs/dbraw/zinc/40/41/49/584404149.db2.gz WYXAWPXKWCIXBD-TUAOUCFPSA-N 2 1 280.372 -0.983 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000884824945 584404419 /nfs/dbraw/zinc/40/44/19/584404419.db2.gz WYXAWPXKWCIXBD-QJPTWQEYSA-N 2 1 280.372 -0.983 20 0 CBADMP C[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885866554 584428794 /nfs/dbraw/zinc/42/87/94/584428794.db2.gz YOMDHVUUSWNHFT-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000885866554 584428795 /nfs/dbraw/zinc/42/87/95/584428795.db2.gz YOMDHVUUSWNHFT-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])NCC2CC2)CC1 ZINC000887348804 584466648 /nfs/dbraw/zinc/46/66/48/584466648.db2.gz XZMRKRWISXMAJI-UHFFFAOYSA-N 2 1 267.377 -0.326 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC(=O)N(C)C1 ZINC000889332437 584525834 /nfs/dbraw/zinc/52/58/34/584525834.db2.gz AAWOEWDNCAFQEY-LBPRGKRZSA-N 2 1 299.419 -0.301 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC(=O)N(C)C1 ZINC000889332437 584525839 /nfs/dbraw/zinc/52/58/39/584525839.db2.gz AAWOEWDNCAFQEY-LBPRGKRZSA-N 2 1 299.419 -0.301 20 0 CBADMP C[NH+](C)CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889768768 584536181 /nfs/dbraw/zinc/53/61/81/584536181.db2.gz GYIULPCZENSDSU-VXGBXAGGSA-N 2 1 255.362 -0.394 20 0 CBADMP C[NH+](C)CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889768768 584536182 /nfs/dbraw/zinc/53/61/82/584536182.db2.gz GYIULPCZENSDSU-VXGBXAGGSA-N 2 1 255.362 -0.394 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891492801 584582642 /nfs/dbraw/zinc/58/26/42/584582642.db2.gz JGALZLNACHFPME-QWRGUYRKSA-N 2 1 258.366 -0.304 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891540603 584584784 /nfs/dbraw/zinc/58/47/84/584584784.db2.gz USARHJLEOWQKPS-GZBFAFLISA-N 2 1 295.431 -0.517 20 0 CBADMP CCN(C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CC[NH2+]C1 ZINC000891540392 584584959 /nfs/dbraw/zinc/58/49/59/584584959.db2.gz QALNIDLXVSHAOV-QWHCGFSZSA-N 2 1 283.420 -0.374 20 0 CBADMP C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000891697439 584590027 /nfs/dbraw/zinc/59/00/27/584590027.db2.gz DCUNQEVRELDASQ-DDHJBXDOSA-N 2 1 270.377 -0.258 20 0 CBADMP C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000891697439 584590029 /nfs/dbraw/zinc/59/00/29/584590029.db2.gz DCUNQEVRELDASQ-DDHJBXDOSA-N 2 1 270.377 -0.258 20 0 CBADMP C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000891697442 584590065 /nfs/dbraw/zinc/59/00/65/584590065.db2.gz DCUNQEVRELDASQ-KKOKHZNYSA-N 2 1 270.377 -0.258 20 0 CBADMP C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000891697442 584590067 /nfs/dbraw/zinc/59/00/67/584590067.db2.gz DCUNQEVRELDASQ-KKOKHZNYSA-N 2 1 270.377 -0.258 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000891698972 584590434 /nfs/dbraw/zinc/59/04/34/584590434.db2.gz WBDKIYZBGZNMSO-RMRHIDDWSA-N 2 1 296.415 -0.044 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000891698972 584590436 /nfs/dbraw/zinc/59/04/36/584590436.db2.gz WBDKIYZBGZNMSO-RMRHIDDWSA-N 2 1 296.415 -0.044 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000892181828 584608148 /nfs/dbraw/zinc/60/81/48/584608148.db2.gz VYBQNEGMFJJKGG-FRRDWIJNSA-N 2 1 282.388 -0.290 20 0 CBADMP CNS(=O)(=O)[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892236707 584610920 /nfs/dbraw/zinc/61/09/20/584610920.db2.gz UOGMANSDNXVPJJ-LBPRGKRZSA-N 2 1 275.418 -0.048 20 0 CBADMP CNS(=O)(=O)[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892236706 584611114 /nfs/dbraw/zinc/61/11/14/584611114.db2.gz UOGMANSDNXVPJJ-GFCCVEGCSA-N 2 1 275.418 -0.048 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3COCC[NH2+]3)CC[C@H]21 ZINC000892288993 584612962 /nfs/dbraw/zinc/61/29/62/584612962.db2.gz IMBLIFYODRYUTE-FRRDWIJNSA-N 2 1 282.388 -0.290 20 0 CBADMP C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1CCO ZINC000892565688 584619042 /nfs/dbraw/zinc/61/90/42/584619042.db2.gz CQNOMKPDFHWTHI-WNGYAQOMSA-N 2 1 284.404 -0.180 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000892566774 584619366 /nfs/dbraw/zinc/61/93/66/584619366.db2.gz NIEAFCSPDRGHQT-AVGNSLFASA-N 2 1 284.404 -0.130 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H]2COC(C)(C)O2)CC1 ZINC000892926707 584630094 /nfs/dbraw/zinc/63/00/94/584630094.db2.gz NPCVKBMZTDCXDW-LBPRGKRZSA-N 2 1 285.388 -0.108 20 0 CBADMP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@]2(O)CC[N@H+](C)C2)C1(F)F ZINC000894469006 584658525 /nfs/dbraw/zinc/65/85/25/584658525.db2.gz HKCCTGINYBJTSP-WCABBAIRSA-N 2 1 278.299 -0.303 20 0 CBADMP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1(F)F ZINC000894469006 584658527 /nfs/dbraw/zinc/65/85/27/584658527.db2.gz HKCCTGINYBJTSP-WCABBAIRSA-N 2 1 278.299 -0.303 20 0 CBADMP C[NH+](C)CC[C@@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000895324023 584675859 /nfs/dbraw/zinc/67/58/59/584675859.db2.gz CPRMZTXRZQNXDB-MRVPVSSYSA-N 2 1 251.338 -0.186 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000895819310 584687822 /nfs/dbraw/zinc/68/78/22/584687822.db2.gz WNNDVOYMQZYIRT-DGCLKSJQSA-N 2 1 267.373 -0.225 20 0 CBADMP C[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896537448 584701464 /nfs/dbraw/zinc/70/14/64/584701464.db2.gz YWJCKPBIDFYJAG-VXGBXAGGSA-N 2 1 268.405 -0.169 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000897397990 584715041 /nfs/dbraw/zinc/71/50/41/584715041.db2.gz PJKGHBPOYISYCX-HNNXBMFYSA-N 2 1 297.399 -0.720 20 0 CBADMP COC(=O)[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCCN1C ZINC000897444904 584716383 /nfs/dbraw/zinc/71/63/83/584716383.db2.gz VWQCSHSJLWJVRP-MNOVXSKESA-N 2 1 280.328 -0.365 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000897446647 584716668 /nfs/dbraw/zinc/71/66/68/584716668.db2.gz XKQWRCQWCSQIFF-GXTWGEPZSA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@H]1CC[NH+](CCNC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000897446647 584716670 /nfs/dbraw/zinc/71/66/70/584716670.db2.gz XKQWRCQWCSQIFF-GXTWGEPZSA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@H]1CC[NH+](CCNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000897446647 584716671 /nfs/dbraw/zinc/71/66/71/584716671.db2.gz XKQWRCQWCSQIFF-GXTWGEPZSA-N 2 1 284.404 -0.306 20 0 CBADMP CC[NH+]1CCN(CCC(=O)NCC[N@@H+](C)CCO)CC1 ZINC000899732758 584776956 /nfs/dbraw/zinc/77/69/56/584776956.db2.gz MDNLNVPYJYTGME-UHFFFAOYSA-N 2 1 286.420 -0.946 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCC[N@H+](C)CCO)CC1 ZINC000899732758 584776957 /nfs/dbraw/zinc/77/69/57/584776957.db2.gz MDNLNVPYJYTGME-UHFFFAOYSA-N 2 1 286.420 -0.946 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCC[N@@H+](C)CCO)CC1 ZINC000899732758 584776959 /nfs/dbraw/zinc/77/69/59/584776959.db2.gz MDNLNVPYJYTGME-UHFFFAOYSA-N 2 1 286.420 -0.946 20 0 CBADMP CC1CC[NH+](CC(=O)NCC[N@@H+](C)CCO)CC1 ZINC000899734646 584777141 /nfs/dbraw/zinc/77/71/41/584777141.db2.gz OIORYLZZOIZHPJ-UHFFFAOYSA-N 2 1 257.378 -0.241 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000899738089 584778315 /nfs/dbraw/zinc/77/83/15/584778315.db2.gz QWJPAWQOSGHTOB-UHFFFAOYSA-N 2 1 262.313 -0.012 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](C)CC1 ZINC000900001328 584788189 /nfs/dbraw/zinc/78/81/89/584788189.db2.gz CTHPGEHLANVDEC-AAEUAGOBSA-N 2 1 255.362 -0.348 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000900374130 584801355 /nfs/dbraw/zinc/80/13/55/584801355.db2.gz MNMYIEAKTPCJDA-ZFWWWQNUSA-N 2 1 299.415 -0.378 20 0 CBADMP COCC[NH+]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900374130 584801357 /nfs/dbraw/zinc/80/13/57/584801357.db2.gz MNMYIEAKTPCJDA-ZFWWWQNUSA-N 2 1 299.415 -0.378 20 0 CBADMP COCC[NH+]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900374130 584801359 /nfs/dbraw/zinc/80/13/59/584801359.db2.gz MNMYIEAKTPCJDA-ZFWWWQNUSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC1CC[NH+](C)CC1 ZINC000900486082 584807277 /nfs/dbraw/zinc/80/72/77/584807277.db2.gz WVIKYXRTYZVIDW-JSGCOSHPSA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)c1ccnn1CC[NH+](C)C ZINC000900518271 584809748 /nfs/dbraw/zinc/80/97/48/584809748.db2.gz OTDVEMDTVIZBDD-UHFFFAOYSA-N 2 1 297.403 -0.247 20 0 CBADMP COCCN(CC[NH+](C)C)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900587333 584813825 /nfs/dbraw/zinc/81/38/25/584813825.db2.gz NJLRTKZPIFMNAE-OCCSQVGLSA-N 2 1 287.404 -0.522 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000900590112 584814232 /nfs/dbraw/zinc/81/42/32/584814232.db2.gz NHYBTEJLSNPHOW-LOWVWBTDSA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000900590112 584814233 /nfs/dbraw/zinc/81/42/33/584814233.db2.gz NHYBTEJLSNPHOW-LOWVWBTDSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000900590112 584814234 /nfs/dbraw/zinc/81/42/34/584814234.db2.gz NHYBTEJLSNPHOW-LOWVWBTDSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000900590112 584814235 /nfs/dbraw/zinc/81/42/35/584814235.db2.gz NHYBTEJLSNPHOW-LOWVWBTDSA-N 2 1 255.362 -0.348 20 0 CBADMP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900605316 584815675 /nfs/dbraw/zinc/81/56/75/584815675.db2.gz IUKLVCORSLLHSN-GZBFAFLISA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900605316 584815676 /nfs/dbraw/zinc/81/56/76/584815676.db2.gz IUKLVCORSLLHSN-GZBFAFLISA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CCC[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900605316 584815677 /nfs/dbraw/zinc/81/56/77/584815677.db2.gz IUKLVCORSLLHSN-GZBFAFLISA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CCC[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900605316 584815678 /nfs/dbraw/zinc/81/56/78/584815678.db2.gz IUKLVCORSLLHSN-GZBFAFLISA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CCOCC1 ZINC000900714496 584824199 /nfs/dbraw/zinc/82/41/99/584824199.db2.gz SPEXOMVXWPJIQL-OCCSQVGLSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[C@@H]1C[NH+](C)CCN1C ZINC000900807996 584828000 /nfs/dbraw/zinc/82/80/00/584828000.db2.gz XVOPBKVBJMQNPA-XFMPKHEZSA-N 2 1 298.431 -0.808 20 0 CBADMP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[C@@H]1C[N@H+](C)CCN1C ZINC000900807996 584828001 /nfs/dbraw/zinc/82/80/01/584828001.db2.gz XVOPBKVBJMQNPA-XFMPKHEZSA-N 2 1 298.431 -0.808 20 0 CBADMP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900807996 584828003 /nfs/dbraw/zinc/82/80/03/584828003.db2.gz XVOPBKVBJMQNPA-XFMPKHEZSA-N 2 1 298.431 -0.808 20 0 CBADMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@H+](C)CCO1 ZINC000901139072 584851458 /nfs/dbraw/zinc/85/14/58/584851458.db2.gz QATGVRHUQLEBFL-VXGBXAGGSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@@H+](C)CCO1 ZINC000901139072 584851460 /nfs/dbraw/zinc/85/14/60/584851460.db2.gz QATGVRHUQLEBFL-VXGBXAGGSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC1=CC[NH+](C)CC1 ZINC000901329289 584861265 /nfs/dbraw/zinc/86/12/65/584861265.db2.gz FUZKSHPLWADTLQ-TZMCWYRMSA-N 2 1 267.373 -0.180 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000901329289 584861267 /nfs/dbraw/zinc/86/12/67/584861267.db2.gz FUZKSHPLWADTLQ-TZMCWYRMSA-N 2 1 267.373 -0.180 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000901329289 584861269 /nfs/dbraw/zinc/86/12/69/584861269.db2.gz FUZKSHPLWADTLQ-TZMCWYRMSA-N 2 1 267.373 -0.180 20 0 CBADMP CC1(C)C[NH2+]C[C@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000902448140 584877134 /nfs/dbraw/zinc/87/71/34/584877134.db2.gz CYFABAJAFQESSP-LLVKDONJSA-N 2 1 275.418 -0.002 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCO[C@]23CCOC3)CC1 ZINC000903091166 584889161 /nfs/dbraw/zinc/88/91/61/584889161.db2.gz OKSWAGUCASSKQW-ZFWWWQNUSA-N 2 1 297.399 -0.312 20 0 CBADMP CN1CCOC[C@]1(CO)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903282708 584889927 /nfs/dbraw/zinc/88/99/27/584889927.db2.gz UTPUGKZZARXYMY-RRFJBIMHSA-N 2 1 283.416 -0.104 20 0 CBADMP O=C1C[NH2+]CCN1[C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903449609 584890467 /nfs/dbraw/zinc/89/04/67/584890467.db2.gz VPTHOZHHZHPSBT-OLZOCXBDSA-N 2 1 266.389 -0.365 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000903449885 584890498 /nfs/dbraw/zinc/89/04/98/584890498.db2.gz WJJDHRXAFYWOIY-RDBSUJKOSA-N 2 1 280.416 -0.262 20 0 CBADMP COC(=O)C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454823 584890609 /nfs/dbraw/zinc/89/06/09/584890609.db2.gz KCEFITLWOYQKKQ-VWYCJHECSA-N 2 1 269.345 -0.523 20 0 CBADMP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454823 584890610 /nfs/dbraw/zinc/89/06/10/584890610.db2.gz KCEFITLWOYQKKQ-VWYCJHECSA-N 2 1 269.345 -0.523 20 0 CBADMP COCCN1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1=O ZINC000903456761 584890713 /nfs/dbraw/zinc/89/07/13/584890713.db2.gz KXUAKCVFGGQRLC-NEPJUHHUSA-N 2 1 255.362 -0.096 20 0 CBADMP CN(C)C(=O)[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1 ZINC000903457126 584890725 /nfs/dbraw/zinc/89/07/25/584890725.db2.gz OLJHDYWJRWVTHJ-GRYCIOLGSA-N 2 1 254.378 -0.524 20 0 CBADMP CNS(=O)(=O)CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470540 584891015 /nfs/dbraw/zinc/89/10/15/584891015.db2.gz NLFBIFDBEQOFCS-JTQLQIEISA-N 2 1 261.391 -0.200 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](CC(N)=O)C1CCOCC1 ZINC000903481430 584891261 /nfs/dbraw/zinc/89/12/61/584891261.db2.gz BOIPXNTVTFJGPM-MNOVXSKESA-N 2 1 255.362 -0.192 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](CC(N)=O)C1CCOCC1 ZINC000903481430 584891262 /nfs/dbraw/zinc/89/12/62/584891262.db2.gz BOIPXNTVTFJGPM-MNOVXSKESA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCN1CCOC1=O)C2 ZINC000903492596 584891605 /nfs/dbraw/zinc/89/16/05/584891605.db2.gz GQFKOTYUQPHETI-WDMOLILDSA-N 2 1 297.355 -0.349 20 0 CBADMP COC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492319 584891643 /nfs/dbraw/zinc/89/16/43/584891643.db2.gz AUNRRBCCPOXDPJ-COMAGPEQSA-N 2 1 270.329 -0.240 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC000903493124 584891662 /nfs/dbraw/zinc/89/16/62/584891662.db2.gz UPGOTQBHCXEELN-RSQPEXBXSA-N 2 1 295.383 -0.134 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC000903492944 584891756 /nfs/dbraw/zinc/89/17/56/584891756.db2.gz MGQQCVAIYCUPRP-ZOWXZIJZSA-N 2 1 295.383 -0.179 20 0 CBADMP COC[C@H](C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1)OC ZINC000903494694 584891815 /nfs/dbraw/zinc/89/18/15/584891815.db2.gz LBNZAJPLIFLYDB-OPDFLTKYSA-N 2 1 286.372 -0.140 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H]1CNCCO1)C2 ZINC000903495107 584891905 /nfs/dbraw/zinc/89/19/05/584891905.db2.gz VOMCOCBNICOQOM-OPDFLTKYSA-N 2 1 283.372 -0.813 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)NCC(=O)N2CCCC2)C[C@H]1CC[NH3+] ZINC000903496131 584892050 /nfs/dbraw/zinc/89/20/50/584892050.db2.gz GWIWQQJOGWLWPI-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000903550502 584892887 /nfs/dbraw/zinc/89/28/87/584892887.db2.gz GZFLFUNPNCTWDM-SNVBAGLBSA-N 2 1 275.418 -0.002 20 0 CBADMP COC[C@H]1C[NH2+]CCN1S(=O)(=O)CCC[NH+](C)C ZINC000903598232 584894441 /nfs/dbraw/zinc/89/44/41/584894441.db2.gz JWMYGONCIGASIA-LLVKDONJSA-N 2 1 279.406 -0.812 20 0 CBADMP COC[C@H]1C[NH2+]CCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000903602933 584894808 /nfs/dbraw/zinc/89/48/08/584894808.db2.gz PUFLBCXRNFVDBR-GFCCVEGCSA-N 2 1 291.417 -0.764 20 0 CBADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746827 584896989 /nfs/dbraw/zinc/89/69/89/584896989.db2.gz LSDCGDZWRUUICB-RFQIPJPRSA-N 3 1 251.374 -0.094 20 0 CBADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746827 584896990 /nfs/dbraw/zinc/89/69/90/584896990.db2.gz LSDCGDZWRUUICB-RFQIPJPRSA-N 2 1 251.374 -0.094 20 0 CBADMP CN(C)C(=O)[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCN1 ZINC000903756339 584897558 /nfs/dbraw/zinc/89/75/58/584897558.db2.gz QHPFVAVTOMHBNL-STQMWFEESA-N 2 1 268.405 -0.262 20 0 CBADMP CN(C)C(=O)[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCN1 ZINC000903756339 584897559 /nfs/dbraw/zinc/89/75/59/584897559.db2.gz QHPFVAVTOMHBNL-STQMWFEESA-N 2 1 268.405 -0.262 20 0 CBADMP CN1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCC1=O ZINC000903765450 584897974 /nfs/dbraw/zinc/89/79/74/584897974.db2.gz HIPILMLHGNAKBE-OCCSQVGLSA-N 2 1 267.373 -0.081 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1(C)C ZINC000903776374 584899205 /nfs/dbraw/zinc/89/92/05/584899205.db2.gz LZFWLFXUBDLAKC-LLVKDONJSA-N 2 1 296.415 -0.265 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1(C)C ZINC000903776374 584899206 /nfs/dbraw/zinc/89/92/06/584899206.db2.gz LZFWLFXUBDLAKC-LLVKDONJSA-N 2 1 296.415 -0.265 20 0 CBADMP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1(C[NH3+])CCOCC1 ZINC000903809993 584900483 /nfs/dbraw/zinc/90/04/83/584900483.db2.gz PPGSDPSHVAKULP-GFCCVEGCSA-N 3 1 269.389 -0.053 20 0 CBADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1(C[NH3+])CCOCC1 ZINC000903809993 584900484 /nfs/dbraw/zinc/90/04/84/584900484.db2.gz PPGSDPSHVAKULP-GFCCVEGCSA-N 3 1 269.389 -0.053 20 0 CBADMP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1(CN)CCOCC1 ZINC000903809993 584900485 /nfs/dbraw/zinc/90/04/85/584900485.db2.gz PPGSDPSHVAKULP-GFCCVEGCSA-N 2 1 269.389 -0.053 20 0 CBADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1(CN)CCOCC1 ZINC000903809993 584900486 /nfs/dbraw/zinc/90/04/86/584900486.db2.gz PPGSDPSHVAKULP-GFCCVEGCSA-N 2 1 269.389 -0.053 20 0 CBADMP OCC[C@@H]1COCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903829936 584901133 /nfs/dbraw/zinc/90/11/33/584901133.db2.gz OMSSVZRJALDIJM-HZSPNIEDSA-N 2 1 270.373 -0.162 20 0 CBADMP OCC[C@@H]1COCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903829936 584901135 /nfs/dbraw/zinc/90/11/35/584901135.db2.gz OMSSVZRJALDIJM-HZSPNIEDSA-N 2 1 270.373 -0.162 20 0 CBADMP OCC[C@@H]1COCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903829426 584901283 /nfs/dbraw/zinc/90/12/83/584901283.db2.gz GPYSHPJLMSNFAL-NEPJUHHUSA-N 2 1 256.346 -0.552 20 0 CBADMP OCC[C@@H]1COCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903829426 584901285 /nfs/dbraw/zinc/90/12/85/584901285.db2.gz GPYSHPJLMSNFAL-NEPJUHHUSA-N 2 1 256.346 -0.552 20 0 CBADMP OCC[C@H]1COCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903829427 584901288 /nfs/dbraw/zinc/90/12/88/584901288.db2.gz GPYSHPJLMSNFAL-NWDGAFQWSA-N 2 1 256.346 -0.552 20 0 CBADMP OCC[C@H]1COCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903829427 584901289 /nfs/dbraw/zinc/90/12/89/584901289.db2.gz GPYSHPJLMSNFAL-NWDGAFQWSA-N 2 1 256.346 -0.552 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCCCNC(=O)CC1 ZINC000903830182 584901453 /nfs/dbraw/zinc/90/14/53/584901453.db2.gz VOUICYZESFRGKA-ZDUSSCGKSA-N 2 1 257.378 -0.051 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H](O)[C@H](F)C1)N1CC[NH2+]CC1 ZINC000903840957 584901701 /nfs/dbraw/zinc/90/17/01/584901701.db2.gz VDBXPBCLRKIYEP-GHMZBOCLSA-N 2 1 259.325 -0.787 20 0 CBADMP O=C(CC[N@@H+]1CC[C@@H](O)[C@H](F)C1)N1CC[NH2+]CC1 ZINC000903840957 584901702 /nfs/dbraw/zinc/90/17/02/584901702.db2.gz VDBXPBCLRKIYEP-GHMZBOCLSA-N 2 1 259.325 -0.787 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903860892 584902452 /nfs/dbraw/zinc/90/24/52/584902452.db2.gz UTVDCRQPSAAJHD-SMDDNHRTSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903860892 584902454 /nfs/dbraw/zinc/90/24/54/584902454.db2.gz UTVDCRQPSAAJHD-SMDDNHRTSA-N 2 1 283.372 -0.179 20 0 CBADMP C[C@H]1C(=O)NCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903876646 584903348 /nfs/dbraw/zinc/90/33/48/584903348.db2.gz ZOCVJIZIMQUCQV-QWRGUYRKSA-N 2 1 253.346 -0.425 20 0 CBADMP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903908123 584904340 /nfs/dbraw/zinc/90/43/40/584904340.db2.gz DBJNRLLOKLAYLX-NTZNESFSSA-N 2 1 292.387 -0.183 20 0 CBADMP CCS(=O)(=O)NCCC[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903922052 584904744 /nfs/dbraw/zinc/90/47/44/584904744.db2.gz SWXRHNTWDCZUEP-QMMMGPOBSA-N 2 1 273.349 -0.112 20 0 CBADMP C[C@]12C[NH+](C[C@H]([NH3+])CC(F)F)C[C@]1(C)C(=O)NC2=O ZINC000903935684 584904836 /nfs/dbraw/zinc/90/48/36/584904836.db2.gz SFYRZDCPRBVFAS-NZXMKCKXSA-N 2 1 275.299 -0.047 20 0 CBADMP C[C@]12C[NH+](C[C@@H]([NH3+])CC(F)F)C[C@]1(C)C(=O)NC2=O ZINC000903935685 584904873 /nfs/dbraw/zinc/90/48/73/584904873.db2.gz SFYRZDCPRBVFAS-UPZJHPNMSA-N 2 1 275.299 -0.047 20 0 CBADMP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000971735831 614073755 /nfs/dbraw/zinc/07/37/55/614073755.db2.gz MAAYIBFHNXQXOZ-YPMHNXCESA-N 2 1 284.404 -0.409 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000968903897 614110189 /nfs/dbraw/zinc/11/01/89/614110189.db2.gz AHZPODLVPPATCD-QWHCGFSZSA-N 2 1 296.415 -0.360 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000968915698 614346910 /nfs/dbraw/zinc/34/69/10/614346910.db2.gz NUYFYMKAWKUYCH-CHWSQXEVSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(CCCO)CC2)C1 ZINC000949840429 614363707 /nfs/dbraw/zinc/36/37/07/614363707.db2.gz CSWFXWORIPQLOL-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C2C[NH+](CCO)C2)C1 ZINC000970325576 614365839 /nfs/dbraw/zinc/36/58/39/614365839.db2.gz HRMMLXDZLXBIEV-JSGCOSHPSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C2C[NH+](CCO)C2)C1 ZINC000970325576 614365842 /nfs/dbraw/zinc/36/58/42/614365842.db2.gz HRMMLXDZLXBIEV-JSGCOSHPSA-N 2 1 299.415 -0.476 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)CC(N)=O)C1 ZINC000971640369 614660351 /nfs/dbraw/zinc/66/03/51/614660351.db2.gz FHJZRKOAWNUVNQ-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)CC(N)=O)C1 ZINC000971640370 614677436 /nfs/dbraw/zinc/67/74/36/614677436.db2.gz FHJZRKOAWNUVNQ-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](N(C)CC(N)=O)C1 ZINC000980484060 615110807 /nfs/dbraw/zinc/11/08/07/615110807.db2.gz VXYROIOQUTZHSF-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CCO)C2)C1 ZINC000980454685 615181493 /nfs/dbraw/zinc/18/14/93/615181493.db2.gz WMPXKBGCNHPVOX-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CCO)C2)C1 ZINC000980454685 615181495 /nfs/dbraw/zinc/18/14/95/615181495.db2.gz WMPXKBGCNHPVOX-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCO)C2)C1 ZINC000980454685 615181497 /nfs/dbraw/zinc/18/14/97/615181497.db2.gz WMPXKBGCNHPVOX-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)C1 ZINC000980454685 615181498 /nfs/dbraw/zinc/18/14/98/615181498.db2.gz WMPXKBGCNHPVOX-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP CCN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)C1 ZINC000977614512 615184253 /nfs/dbraw/zinc/18/42/53/615184253.db2.gz LKURXRMLKNJWDY-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC2(C)C)C1 ZINC000977614512 615184255 /nfs/dbraw/zinc/18/42/55/615184255.db2.gz LKURXRMLKNJWDY-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)CC2(C)C)C1 ZINC000977614512 615184258 /nfs/dbraw/zinc/18/42/58/615184258.db2.gz LKURXRMLKNJWDY-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)C1 ZINC000977614512 615184259 /nfs/dbraw/zinc/18/42/59/615184259.db2.gz LKURXRMLKNJWDY-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1)[NH+](C)C ZINC000969989567 615375007 /nfs/dbraw/zinc/37/50/07/615375007.db2.gz MRJKCIBRXXXZSF-MNOVXSKESA-N 2 1 295.391 -0.759 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971687984 616045265 /nfs/dbraw/zinc/04/52/65/616045265.db2.gz RUXJHSONFOWTTR-LBPRGKRZSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971687984 616045266 /nfs/dbraw/zinc/04/52/66/616045266.db2.gz RUXJHSONFOWTTR-LBPRGKRZSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1)C1CCC1 ZINC000971687984 616045267 /nfs/dbraw/zinc/04/52/67/616045267.db2.gz RUXJHSONFOWTTR-LBPRGKRZSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1)C1CCC1 ZINC000971687984 616045268 /nfs/dbraw/zinc/04/52/68/616045268.db2.gz RUXJHSONFOWTTR-LBPRGKRZSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC000958373476 616167151 /nfs/dbraw/zinc/16/71/51/616167151.db2.gz FVRRIWAIORPRAT-KBPBESRZSA-N 2 1 299.415 -0.881 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000969626246 616183248 /nfs/dbraw/zinc/18/32/48/616183248.db2.gz GRWWAVIIZKDJGD-AGIUHOORSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCCN(CC(N)=O)C2 ZINC000981666022 616191253 /nfs/dbraw/zinc/19/12/53/616191253.db2.gz JXUCBUKACNZYPW-GFCCVEGCSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCC[NH+](CC(N)=O)C2 ZINC000981666022 616191254 /nfs/dbraw/zinc/19/12/54/616191254.db2.gz JXUCBUKACNZYPW-GFCCVEGCSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCC[NH+](CC(N)=O)C2 ZINC000981666022 616191255 /nfs/dbraw/zinc/19/12/55/616191255.db2.gz JXUCBUKACNZYPW-GFCCVEGCSA-N 2 1 294.399 -0.510 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2 ZINC000981666022 616191256 /nfs/dbraw/zinc/19/12/56/616191256.db2.gz JXUCBUKACNZYPW-GFCCVEGCSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000969595029 616192202 /nfs/dbraw/zinc/19/22/02/616192202.db2.gz KVAPRZWVTHZNEK-GRYCIOLGSA-N 2 1 280.372 -0.840 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC000958474288 616253395 /nfs/dbraw/zinc/25/33/95/616253395.db2.gz JADWWAMMPURPJN-RQJABVFESA-N 2 1 279.384 -0.227 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC000958474288 616253396 /nfs/dbraw/zinc/25/33/96/616253396.db2.gz JADWWAMMPURPJN-RQJABVFESA-N 2 1 279.384 -0.227 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC000958474288 616253397 /nfs/dbraw/zinc/25/33/97/616253397.db2.gz JADWWAMMPURPJN-RQJABVFESA-N 2 1 279.384 -0.227 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC000958474288 616253398 /nfs/dbraw/zinc/25/33/98/616253398.db2.gz JADWWAMMPURPJN-RQJABVFESA-N 2 1 279.384 -0.227 20 0 CBADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000948269794 616257338 /nfs/dbraw/zinc/25/73/38/616257338.db2.gz QPVADVULJRVQKF-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000948269794 616257339 /nfs/dbraw/zinc/25/73/39/616257339.db2.gz QPVADVULJRVQKF-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH+](CCO)CC1 ZINC000948269794 616257340 /nfs/dbraw/zinc/25/73/40/616257340.db2.gz QPVADVULJRVQKF-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH+](CCO)CC1 ZINC000948269794 616257341 /nfs/dbraw/zinc/25/73/41/616257341.db2.gz QPVADVULJRVQKF-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000948269793 616257347 /nfs/dbraw/zinc/25/73/47/616257347.db2.gz QPVADVULJRVQKF-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000948269793 616257348 /nfs/dbraw/zinc/25/73/48/616257348.db2.gz QPVADVULJRVQKF-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH+](CCO)CC1 ZINC000948269793 616257349 /nfs/dbraw/zinc/25/73/49/616257349.db2.gz QPVADVULJRVQKF-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH+](CCO)CC1 ZINC000948269793 616257350 /nfs/dbraw/zinc/25/73/50/616257350.db2.gz QPVADVULJRVQKF-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970713003 616265230 /nfs/dbraw/zinc/26/52/30/616265230.db2.gz VALSGQGURFOGMX-VXGBXAGGSA-N 2 1 292.387 -0.543 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(N)=O)C1 ZINC000969144474 616266538 /nfs/dbraw/zinc/26/65/38/616266538.db2.gz MIHBXSSGVOQPPY-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(N)=O)C1 ZINC000969144474 616266539 /nfs/dbraw/zinc/26/65/39/616266539.db2.gz MIHBXSSGVOQPPY-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC(N)=O)C1 ZINC000969144474 616266540 /nfs/dbraw/zinc/26/65/40/616266540.db2.gz MIHBXSSGVOQPPY-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC(N)=O)C1 ZINC000969144474 616266541 /nfs/dbraw/zinc/26/65/41/616266541.db2.gz MIHBXSSGVOQPPY-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000957331949 616268696 /nfs/dbraw/zinc/26/86/96/616268696.db2.gz CRBNVEOGZDZMIW-ZDUSSCGKSA-N 2 1 269.389 -0.145 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000957331949 616268697 /nfs/dbraw/zinc/26/86/97/616268697.db2.gz CRBNVEOGZDZMIW-ZDUSSCGKSA-N 2 1 269.389 -0.145 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000957649525 616361139 /nfs/dbraw/zinc/36/11/39/616361139.db2.gz NIQYOLALZJUWJJ-LBPRGKRZSA-N 2 1 255.362 -0.535 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000957649525 616361143 /nfs/dbraw/zinc/36/11/43/616361143.db2.gz NIQYOLALZJUWJJ-LBPRGKRZSA-N 2 1 255.362 -0.535 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCO)C3)C1 ZINC000965915362 616368307 /nfs/dbraw/zinc/36/83/07/616368307.db2.gz HGVDPLRVWDYKMU-PXWWDBQQSA-N 2 1 281.400 -0.053 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(N)=O)C1 ZINC000969144476 616372295 /nfs/dbraw/zinc/37/22/95/616372295.db2.gz MIHBXSSGVOQPPY-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(N)=O)C1 ZINC000969144476 616372297 /nfs/dbraw/zinc/37/22/97/616372297.db2.gz MIHBXSSGVOQPPY-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC(N)=O)C1 ZINC000969144476 616372298 /nfs/dbraw/zinc/37/22/98/616372298.db2.gz MIHBXSSGVOQPPY-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC(N)=O)C1 ZINC000969144476 616372301 /nfs/dbraw/zinc/37/23/01/616372301.db2.gz MIHBXSSGVOQPPY-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)CN1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970867928 616598765 /nfs/dbraw/zinc/59/87/65/616598765.db2.gz HYLJPQWIOPQKMW-QWRGUYRKSA-N 2 1 282.388 -0.879 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000962275236 616643836 /nfs/dbraw/zinc/64/38/36/616643836.db2.gz ADDFDTXISKCHOQ-UUIJZJDISA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000962275236 616643838 /nfs/dbraw/zinc/64/38/38/616643838.db2.gz ADDFDTXISKCHOQ-UUIJZJDISA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000962275236 616643840 /nfs/dbraw/zinc/64/38/40/616643840.db2.gz ADDFDTXISKCHOQ-UUIJZJDISA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000962275236 616643841 /nfs/dbraw/zinc/64/38/41/616643841.db2.gz ADDFDTXISKCHOQ-UUIJZJDISA-N 2 1 294.399 -0.879 20 0 CBADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256320 656111081 /nfs/dbraw/zinc/11/10/81/656111081.db2.gz QWCGAEVYDLILAN-NXEZZACHSA-N 2 1 256.350 -0.109 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000923378548 658246943 /nfs/dbraw/zinc/24/69/43/658246943.db2.gz FCNKTRAPRBTVOL-ZIAGYGMSSA-N 2 1 271.405 -0.247 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923484677 658304036 /nfs/dbraw/zinc/30/40/36/658304036.db2.gz AIRODVJQTCOYKO-TZMCWYRMSA-N 2 1 296.415 -0.264 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923482304 658305742 /nfs/dbraw/zinc/30/57/42/658305742.db2.gz YIIJBXIFDDABMI-NSHDSACASA-N 2 1 263.407 -0.014 20 0 CBADMP C[C@@H]1C[C@H](N(C)S(=O)(=O)C2C[NH2+]C2)CC[N@H+]1C ZINC000923617491 658355768 /nfs/dbraw/zinc/35/57/68/658355768.db2.gz DHONMGXSXGYISA-NXEZZACHSA-N 2 1 261.391 -0.298 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923622738 658358479 /nfs/dbraw/zinc/35/84/79/658358479.db2.gz PMRQOVYHJYVJTK-GFCCVEGCSA-N 2 1 290.433 -0.590 20 0 CBADMP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000923641977 658370591 /nfs/dbraw/zinc/37/05/91/658370591.db2.gz BNUOYIGRFURCHS-GRYCIOLGSA-N 2 1 289.401 -0.869 20 0 CBADMP O=S(=O)(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000923644482 658370992 /nfs/dbraw/zinc/37/09/92/658370992.db2.gz HTRANAPUHVYXSO-DTWKUNHWSA-N 2 1 283.344 -0.345 20 0 CBADMP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000923641978 658371308 /nfs/dbraw/zinc/37/13/08/658371308.db2.gz BNUOYIGRFURCHS-IJLUTSLNSA-N 2 1 289.401 -0.869 20 0 CBADMP O=S(=O)(N1CC[NH2+]CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000923644072 658371566 /nfs/dbraw/zinc/37/15/66/658371566.db2.gz GXQLMHLFYFRBJN-UHFFFAOYSA-N 2 1 288.417 -0.788 20 0 CBADMP C[N@H+]1CC[C@H]2CN(S(=O)(=O)C3C[NH2+]C3)CC[C@H]21 ZINC000923665642 658386852 /nfs/dbraw/zinc/38/68/52/658386852.db2.gz GABJLEDRGDTIFJ-GXSJLCMTSA-N 2 1 259.375 -0.686 20 0 CBADMP COCCC[N@@H+](C)CCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924693635 658630998 /nfs/dbraw/zinc/63/09/98/658630998.db2.gz FGTGERAVIIUNQW-NSHDSACASA-N 2 1 286.376 -0.563 20 0 CBADMP OCCC[N@H+]1CCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925678532 658864843 /nfs/dbraw/zinc/86/48/43/658864843.db2.gz FPCMPWKKSDXQMB-STQMWFEESA-N 2 1 257.378 -0.589 20 0 CBADMP CC[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000925788879 658872286 /nfs/dbraw/zinc/87/22/86/658872286.db2.gz CWBYLKXCRKXYDB-AGIUHOORSA-N 2 1 289.445 -0.117 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)C1 ZINC000928446156 659023976 /nfs/dbraw/zinc/02/39/76/659023976.db2.gz GWOAICHOLRSLSP-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)C1 ZINC000928446156 659023987 /nfs/dbraw/zinc/02/39/87/659023987.db2.gz GWOAICHOLRSLSP-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)C1 ZINC000928446156 659023994 /nfs/dbraw/zinc/02/39/94/659023994.db2.gz GWOAICHOLRSLSP-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)C1 ZINC000928446156 659024010 /nfs/dbraw/zinc/02/40/10/659024010.db2.gz GWOAICHOLRSLSP-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000928452428 659027168 /nfs/dbraw/zinc/02/71/68/659027168.db2.gz YKKDDCRTFXWATP-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000928452428 659027177 /nfs/dbraw/zinc/02/71/77/659027177.db2.gz YKKDDCRTFXWATP-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000928553096 659035291 /nfs/dbraw/zinc/03/52/91/659035291.db2.gz XJMBHMAKWVRYAB-CYBMUJFWSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2C)cn1 ZINC000928553283 659036372 /nfs/dbraw/zinc/03/63/72/659036372.db2.gz MNCQPEJCATUBLA-GFCCVEGCSA-N 2 1 265.361 -0.121 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[N@H+]2C)cn1 ZINC000928553283 659036376 /nfs/dbraw/zinc/03/63/76/659036376.db2.gz MNCQPEJCATUBLA-GFCCVEGCSA-N 2 1 265.361 -0.121 20 0 CBADMP C[C@H](O)[C@@H](O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000930501428 659296894 /nfs/dbraw/zinc/29/68/94/659296894.db2.gz BJAPFOMASGCFIW-STQMWFEESA-N 2 1 261.410 -0.457 20 0 CBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000930490743 659299256 /nfs/dbraw/zinc/29/92/56/659299256.db2.gz HKTRTCASWVIMKP-KGYLQXTDSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000930490743 659299262 /nfs/dbraw/zinc/29/92/62/659299262.db2.gz HKTRTCASWVIMKP-KGYLQXTDSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000930490743 659299267 /nfs/dbraw/zinc/29/92/67/659299267.db2.gz HKTRTCASWVIMKP-KGYLQXTDSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000930490743 659299271 /nfs/dbraw/zinc/29/92/71/659299271.db2.gz HKTRTCASWVIMKP-KGYLQXTDSA-N 2 1 294.399 -0.594 20 0 CBADMP COC[C@]1(CO)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000930656511 659316089 /nfs/dbraw/zinc/31/60/89/659316089.db2.gz BIGAMSIJZFCVCO-UONOGXRCSA-N 2 1 272.389 -0.226 20 0 CBADMP COC[C@]1(CO)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000930656511 659316095 /nfs/dbraw/zinc/31/60/95/659316095.db2.gz BIGAMSIJZFCVCO-UONOGXRCSA-N 2 1 272.389 -0.226 20 0 CBADMP O[C@@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1(O)CCC1 ZINC000931065769 659380704 /nfs/dbraw/zinc/38/07/04/659380704.db2.gz DXESAROQYBJGDI-KGLIPLIRSA-N 2 1 284.400 -0.207 20 0 CBADMP O[C@@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)C1(O)CCC1 ZINC000931065769 659380712 /nfs/dbraw/zinc/38/07/12/659380712.db2.gz DXESAROQYBJGDI-KGLIPLIRSA-N 2 1 284.400 -0.207 20 0 CBADMP C[NH+](C)C1(C)CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000931349087 659438991 /nfs/dbraw/zinc/43/89/91/659438991.db2.gz SVNCPRLVAPQLSH-UHFFFAOYSA-N 2 1 256.350 -0.013 20 0 CBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432572 659464991 /nfs/dbraw/zinc/46/49/91/659464991.db2.gz VPNPVZXTFZOBPR-LPEHRKFASA-N 2 1 254.334 -0.547 20 0 CBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432572 659465008 /nfs/dbraw/zinc/46/50/08/659465008.db2.gz VPNPVZXTFZOBPR-LPEHRKFASA-N 2 1 254.334 -0.547 20 0 CBADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432572 659465023 /nfs/dbraw/zinc/46/50/23/659465023.db2.gz VPNPVZXTFZOBPR-LPEHRKFASA-N 2 1 254.334 -0.547 20 0 CBADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432572 659465036 /nfs/dbraw/zinc/46/50/36/659465036.db2.gz VPNPVZXTFZOBPR-LPEHRKFASA-N 2 1 254.334 -0.547 20 0 CBADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000931486541 659471479 /nfs/dbraw/zinc/47/14/79/659471479.db2.gz FIHHNPIXDMOSQR-UHFFFAOYSA-N 2 1 298.387 -0.637 20 0 CBADMP C[N@H+]1CCC[C@H](CNS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000044539445 656010152 /nfs/dbraw/zinc/01/01/52/656010152.db2.gz LJQNRMURISXMPR-LLVKDONJSA-N 2 1 276.406 -0.932 20 0 CBADMP C[N@H+]1CCC[C@@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000044558101 656010282 /nfs/dbraw/zinc/01/02/82/656010282.db2.gz HRGRKXWFLSXUIL-NWDGAFQWSA-N 2 1 275.418 0.000 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000052808831 656024838 /nfs/dbraw/zinc/02/48/38/656024838.db2.gz CCCWROIFWJPKAA-GFCCVEGCSA-N 2 1 255.362 -0.096 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000052808283 656024862 /nfs/dbraw/zinc/02/48/62/656024862.db2.gz MWEAJUBPRMPASZ-QWHCGFSZSA-N 2 1 285.388 -0.327 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000063179808 656033982 /nfs/dbraw/zinc/03/39/82/656033982.db2.gz FWIAPKJODZJSEH-LBPRGKRZSA-N 2 1 282.388 -0.701 20 0 CBADMP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179646 656034174 /nfs/dbraw/zinc/03/41/74/656034174.db2.gz NEHCTNOJJOKYBD-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000063179796 656034467 /nfs/dbraw/zinc/03/44/67/656034467.db2.gz JNVVHOUCKWEMSS-NXEZZACHSA-N 2 1 255.318 -0.911 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000063179796 656034468 /nfs/dbraw/zinc/03/44/68/656034468.db2.gz JNVVHOUCKWEMSS-NXEZZACHSA-N 2 1 255.318 -0.911 20 0 CBADMP Cc1nonc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000070262386 656040611 /nfs/dbraw/zinc/04/06/11/656040611.db2.gz XJNJRBOTOILIFR-SNVBAGLBSA-N 2 1 267.333 -0.335 20 0 CBADMP Cc1nonc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000070262386 656040613 /nfs/dbraw/zinc/04/06/13/656040613.db2.gz XJNJRBOTOILIFR-SNVBAGLBSA-N 2 1 267.333 -0.335 20 0 CBADMP C[N@@H+](CCNS(=O)(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000071379509 656041892 /nfs/dbraw/zinc/04/18/92/656041892.db2.gz FFDVVEXUHWCNEJ-UHFFFAOYSA-N 2 1 290.433 -0.400 20 0 CBADMP C[N@@H+](CC[C@@H]1CCCO1)CC(=O)N1CC[NH2+]CC1 ZINC000087266377 656052470 /nfs/dbraw/zinc/05/24/70/656052470.db2.gz AHRAJEZBNQRTCL-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP CC(C)(C[NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666910 656058787 /nfs/dbraw/zinc/05/87/87/656058787.db2.gz JYSICTHSVXUPOG-MNOVXSKESA-N 2 1 255.362 -0.049 20 0 CBADMP CC(C)(C[NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666909 656058805 /nfs/dbraw/zinc/05/88/05/656058805.db2.gz JYSICTHSVXUPOG-GHMZBOCLSA-N 2 1 255.362 -0.049 20 0 CBADMP CC(C)[NH2+]CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668303 656059041 /nfs/dbraw/zinc/05/90/41/656059041.db2.gz ROVZDHFQGUTCGL-VXGBXAGGSA-N 2 1 255.362 -0.036 20 0 CBADMP CCOC[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668974 656059084 /nfs/dbraw/zinc/05/90/84/656059084.db2.gz WUNDJCQXFHYVCA-UPJWGTAASA-N 2 1 258.362 -0.163 20 0 CBADMP CCOC[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668974 656059086 /nfs/dbraw/zinc/05/90/86/656059086.db2.gz WUNDJCQXFHYVCA-UPJWGTAASA-N 2 1 258.362 -0.163 20 0 CBADMP C[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000091668126 656059097 /nfs/dbraw/zinc/05/90/97/656059097.db2.gz CBQORJXYPGISQS-BZPMIXESSA-N 2 1 267.373 -0.035 20 0 CBADMP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Cn1cccn1 ZINC000091668283 656059138 /nfs/dbraw/zinc/05/91/38/656059138.db2.gz IWUFIERNMAUTEY-MCIONIFRSA-N 2 1 280.372 -0.303 20 0 CBADMP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)Cn1cccn1 ZINC000091668283 656059141 /nfs/dbraw/zinc/05/91/41/656059141.db2.gz IWUFIERNMAUTEY-MCIONIFRSA-N 2 1 280.372 -0.303 20 0 CBADMP O=C(COC1CC[NH2+]CC1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000091667901 656059247 /nfs/dbraw/zinc/05/92/47/656059247.db2.gz OJVFDJVHCRVYOU-JSGCOSHPSA-N 2 1 297.399 -0.266 20 0 CBADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000093698371 656060821 /nfs/dbraw/zinc/06/08/21/656060821.db2.gz PLFPGIHALZBVOQ-VXGBXAGGSA-N 2 1 275.418 -0.061 20 0 CBADMP C[C@H]1C[N@@H+](CC(=O)N2CCOCC2)CC[C@@H]1C[NH3+] ZINC000122305502 656066982 /nfs/dbraw/zinc/06/69/82/656066982.db2.gz MFZNCADMCQOQMV-NWDGAFQWSA-N 2 1 255.362 -0.238 20 0 CBADMP O=C(N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[C@@]1(F)CC[NH2+]C1 ZINC000186701274 656095278 /nfs/dbraw/zinc/09/52/78/656095278.db2.gz JYMADVHNQNGXPO-SMDDNHRTSA-N 2 1 298.362 -0.889 20 0 CBADMP C[NH+](C)CCCNC(=S)N1CC[NH+](CCO)CC1 ZINC000242862283 656117814 /nfs/dbraw/zinc/11/78/14/656117814.db2.gz GGAOVQMYKSXIJH-UHFFFAOYSA-N 2 1 274.434 -0.578 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539408 656122919 /nfs/dbraw/zinc/12/29/19/656122919.db2.gz BNXRJKWPXBCNNV-SDDRHHMPSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000252779897 656123659 /nfs/dbraw/zinc/12/36/59/656123659.db2.gz QDKNANADYSKTHU-IJLUTSLNSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000252779897 656123662 /nfs/dbraw/zinc/12/36/62/656123662.db2.gz QDKNANADYSKTHU-IJLUTSLNSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@@H]([NH3+])CC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000261697539 656125683 /nfs/dbraw/zinc/12/56/83/656125683.db2.gz CLQARLRNSWKLKU-CYBMUJFWSA-N 2 1 296.415 -0.120 20 0 CBADMP C[C@@H]([NH3+])CC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000261697539 656125688 /nfs/dbraw/zinc/12/56/88/656125688.db2.gz CLQARLRNSWKLKU-CYBMUJFWSA-N 2 1 296.415 -0.120 20 0 CBADMP CC(C)[N@H+](CCOCC[NH3+])CCS(C)(=O)=O ZINC000304391396 656141011 /nfs/dbraw/zinc/14/10/11/656141011.db2.gz YSGHOMHQSIIKMK-UHFFFAOYSA-N 2 1 252.380 -0.283 20 0 CBADMP CC(C)[N@@H+](CCOCC[NH3+])CCS(C)(=O)=O ZINC000304391396 656141013 /nfs/dbraw/zinc/14/10/13/656141013.db2.gz YSGHOMHQSIIKMK-UHFFFAOYSA-N 2 1 252.380 -0.283 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)[C@H](C)C1 ZINC000310849828 656144152 /nfs/dbraw/zinc/14/41/52/656144152.db2.gz IWDVXSKREPNADZ-CHWSQXEVSA-N 2 1 259.394 -0.439 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+](C)[C@H](C)C1 ZINC000310849828 656144157 /nfs/dbraw/zinc/14/41/57/656144157.db2.gz IWDVXSKREPNADZ-CHWSQXEVSA-N 2 1 259.394 -0.439 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)[C@H](C)C1 ZINC000310849828 656144160 /nfs/dbraw/zinc/14/41/60/656144160.db2.gz IWDVXSKREPNADZ-CHWSQXEVSA-N 2 1 259.394 -0.439 20 0 CBADMP CO[C@@H]1COCC[C@@H]1[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000310863053 656144444 /nfs/dbraw/zinc/14/44/44/656144444.db2.gz OHVFWYFQPKRIFF-QWHCGFSZSA-N 2 1 257.378 -0.373 20 0 CBADMP C[NH2+]C[C@@H]1CCCCN1C[C@H](O)C[N@@H+](C)CCOC ZINC000311456048 656145781 /nfs/dbraw/zinc/14/57/81/656145781.db2.gz KOJATYKQGUZXOB-UONOGXRCSA-N 2 1 273.421 -0.001 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCCC[C@@H]1C[NH3+] ZINC000311183499 656145852 /nfs/dbraw/zinc/14/58/52/656145852.db2.gz ZYXDVRMQXZWBAB-CHWSQXEVSA-N 2 1 259.394 -0.261 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)Cn1cc(C[NH2+]C(C)C)nn1 ZINC000312799972 656147563 /nfs/dbraw/zinc/14/75/63/656147563.db2.gz RETWAMIHDFEJKA-ZDUSSCGKSA-N 2 1 285.392 -0.285 20 0 CBADMP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313333746 656147617 /nfs/dbraw/zinc/14/76/17/656147617.db2.gz AHQJNQMUMYGRBR-AVGNSLFASA-N 2 1 276.377 -0.552 20 0 CBADMP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313333746 656147619 /nfs/dbraw/zinc/14/76/19/656147619.db2.gz AHQJNQMUMYGRBR-AVGNSLFASA-N 2 1 276.377 -0.552 20 0 CBADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCCCN1CCOCC1 ZINC000328355979 656149019 /nfs/dbraw/zinc/14/90/19/656149019.db2.gz OEOGVKDZIAHHOG-NWDGAFQWSA-N 2 1 271.361 -0.798 20 0 CBADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCN1C(=O)CCC1=O)C2 ZINC000702069456 656179604 /nfs/dbraw/zinc/17/96/04/656179604.db2.gz KTTAOBXDPORKPF-GXFFZTMASA-N 2 1 251.330 -0.323 20 0 CBADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC000702069456 656179606 /nfs/dbraw/zinc/17/96/06/656179606.db2.gz KTTAOBXDPORKPF-GXFFZTMASA-N 2 1 251.330 -0.323 20 0 CBADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702327092 656179848 /nfs/dbraw/zinc/17/98/48/656179848.db2.gz JXOAPCDVRUKZLX-BFHYXJOUSA-N 2 1 272.389 -0.106 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702327092 656179852 /nfs/dbraw/zinc/17/98/52/656179852.db2.gz JXOAPCDVRUKZLX-BFHYXJOUSA-N 2 1 272.389 -0.106 20 0 CBADMP COCCOC[C@H](O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702327092 656179853 /nfs/dbraw/zinc/17/98/53/656179853.db2.gz JXOAPCDVRUKZLX-BFHYXJOUSA-N 2 1 272.389 -0.106 20 0 CBADMP COCCOC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702327092 656179857 /nfs/dbraw/zinc/17/98/57/656179857.db2.gz JXOAPCDVRUKZLX-BFHYXJOUSA-N 2 1 272.389 -0.106 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000702415516 656181020 /nfs/dbraw/zinc/18/10/20/656181020.db2.gz BMSPCKFIGOBGAS-RWMBFGLXSA-N 2 1 268.405 -0.182 20 0 CBADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702598814 656181848 /nfs/dbraw/zinc/18/18/48/656181848.db2.gz HSFHKTZEZFAFNK-NTZNESFSSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000702598814 656181851 /nfs/dbraw/zinc/18/18/51/656181851.db2.gz HSFHKTZEZFAFNK-NTZNESFSSA-N 2 1 255.362 -0.300 20 0 CBADMP 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 656181952 /nfs/dbraw/zinc/18/19/52/656181952.db2.gz WGKRMTBKKVQMGE-GAURVVSWSA-N 2 1 251.374 -0.361 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC000706632617 656187968 /nfs/dbraw/zinc/18/79/68/656187968.db2.gz ZQQMGLIFORAKNA-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC000706632617 656187969 /nfs/dbraw/zinc/18/79/69/656187969.db2.gz ZQQMGLIFORAKNA-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP COC[C@@]1(C(=O)NCCn2cc[nH+]c2C)C[NH2+]CCO1 ZINC000710724181 656199933 /nfs/dbraw/zinc/19/99/33/656199933.db2.gz HZGGJPXPNNNVMX-CYBMUJFWSA-N 2 1 282.344 -0.687 20 0 CBADMP COC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2C)C[NH2+]CCO1 ZINC000710756107 656200412 /nfs/dbraw/zinc/20/04/12/656200412.db2.gz UZHZWZKLMYBHDV-WCQYABFASA-N 2 1 271.361 -0.798 20 0 CBADMP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000710741572 656200420 /nfs/dbraw/zinc/20/04/20/656200420.db2.gz HTNJLUDIZXSLOR-RISCZKNCSA-N 2 1 283.372 -0.656 20 0 CBADMP COC[C@]1(C(=O)N[C@@H]2CCC[N@@H+](C)C2)C[NH2+]CCO1 ZINC000710755552 656200754 /nfs/dbraw/zinc/20/07/54/656200754.db2.gz PTZIWTJKWSDPRE-YPMHNXCESA-N 2 1 271.361 -0.798 20 0 CBADMP COC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](C)C2)C[NH2+]CCO1 ZINC000710755085 656200980 /nfs/dbraw/zinc/20/09/80/656200980.db2.gz KZVDDPWCKSVNCY-WCQYABFASA-N 2 1 271.361 -0.941 20 0 CBADMP COC[C@]1(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C[NH2+]CCO1 ZINC000710784683 656201328 /nfs/dbraw/zinc/20/13/28/656201328.db2.gz RLSWLGHNMBVYQZ-FZMZJTMJSA-N 2 1 285.388 -0.410 20 0 CBADMP COC[C@]1(C(=O)NC[C@H]2CCC[N@@H+](C)C2)C[NH2+]CCO1 ZINC000710784207 656201864 /nfs/dbraw/zinc/20/18/64/656201864.db2.gz PVFRQJWTUUJHME-OCCSQVGLSA-N 2 1 285.388 -0.551 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000710824759 656203442 /nfs/dbraw/zinc/20/34/42/656203442.db2.gz HSRPRMULLNAUIG-GXTWGEPZSA-N 2 1 285.388 -0.408 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712568120 656210529 /nfs/dbraw/zinc/21/05/29/656210529.db2.gz WIMQRISGONSHBM-UHFFFAOYSA-N 2 1 256.350 -0.094 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[NH2+]CCC1(C)C ZINC000712568120 656210531 /nfs/dbraw/zinc/21/05/31/656210531.db2.gz WIMQRISGONSHBM-UHFFFAOYSA-N 2 1 256.350 -0.094 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CC2(CO1)CCOCC2 ZINC000712698589 656211357 /nfs/dbraw/zinc/21/13/57/656211357.db2.gz RMLVZHFRXKCSIU-NWDGAFQWSA-N 2 1 258.362 -0.177 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CC2(CO1)CCOCC2 ZINC000712698589 656211360 /nfs/dbraw/zinc/21/13/60/656211360.db2.gz RMLVZHFRXKCSIU-NWDGAFQWSA-N 2 1 258.362 -0.177 20 0 CBADMP CC(C)(O)C[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000715847000 656220979 /nfs/dbraw/zinc/22/09/79/656220979.db2.gz SLMUAHWPWFYOJA-UHFFFAOYSA-N 2 1 281.400 -0.003 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CC[NH2+]CC1CC1 ZINC000717164600 656226338 /nfs/dbraw/zinc/22/63/38/656226338.db2.gz JKSRVJNQTOMIPG-CYBMUJFWSA-N 2 1 268.405 -0.262 20 0 CBADMP O=C(CC[NH2+]CC1CC1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000717196483 656227026 /nfs/dbraw/zinc/22/70/26/656227026.db2.gz NEJYJUJCDVPTSM-CQSZACIVSA-N 2 1 280.416 -0.118 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000884640335 656253404 /nfs/dbraw/zinc/25/34/04/656253404.db2.gz BHWRDCRPRRDDRE-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CC)[C@H]2CC[NH2+]C2)C1 ZINC000884787054 656254946 /nfs/dbraw/zinc/25/49/46/656254946.db2.gz FJDHHAAOQPWVPU-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884908800 656258051 /nfs/dbraw/zinc/25/80/51/656258051.db2.gz FAXXAOCLTVJGKL-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000900371994 656306997 /nfs/dbraw/zinc/30/69/97/656306997.db2.gz MLVHTMKFWVGSTI-MPKXVKKWSA-N 2 1 267.373 -0.206 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000900371994 656306999 /nfs/dbraw/zinc/30/69/99/656306999.db2.gz MLVHTMKFWVGSTI-MPKXVKKWSA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000900371994 656307002 /nfs/dbraw/zinc/30/70/02/656307002.db2.gz MLVHTMKFWVGSTI-MPKXVKKWSA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000900371994 656307005 /nfs/dbraw/zinc/30/70/05/656307005.db2.gz MLVHTMKFWVGSTI-MPKXVKKWSA-N 2 1 267.373 -0.206 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC[N@@H+]1C ZINC000900846182 656313290 /nfs/dbraw/zinc/31/32/90/656313290.db2.gz FZEIPCFAQNNAMB-OCCSQVGLSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC[N@H+]1C ZINC000900846182 656313292 /nfs/dbraw/zinc/31/32/92/656313292.db2.gz FZEIPCFAQNNAMB-OCCSQVGLSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC[NH+]1C ZINC000900846182 656313295 /nfs/dbraw/zinc/31/32/95/656313295.db2.gz FZEIPCFAQNNAMB-OCCSQVGLSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC[NH+]1C ZINC000900846182 656313298 /nfs/dbraw/zinc/31/32/98/656313298.db2.gz FZEIPCFAQNNAMB-OCCSQVGLSA-N 2 1 269.389 -0.004 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904300106 656324447 /nfs/dbraw/zinc/32/44/47/656324447.db2.gz WETGYHOTFGFACQ-SDDRHHMPSA-N 3 1 254.378 -0.489 20 0 CBADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000904332149 656325219 /nfs/dbraw/zinc/32/52/19/656325219.db2.gz NOXXLVYBTUKABQ-XQQFMLRXSA-N 2 1 266.389 -0.380 20 0 CBADMP c1cc(N2CC[NH2+]CC2)oc1C[NH2+]C[C@H]1CNCCO1 ZINC000904371772 656325748 /nfs/dbraw/zinc/32/57/48/656325748.db2.gz SUZJSPDLYNJGCM-CYBMUJFWSA-N 2 1 280.372 -0.233 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](C[C@]3(C)CCC[NH2+]C3)C[C@H]2C1=O ZINC000904384545 656326109 /nfs/dbraw/zinc/32/61/09/656326109.db2.gz MHTLKIKCFPVUFW-UHIISALHSA-N 2 1 265.357 -0.077 20 0 CBADMP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000904380580 656326292 /nfs/dbraw/zinc/32/62/92/656326292.db2.gz NLCNIVLOQXFYNJ-PHIMTYICSA-N 2 1 273.402 -0.167 20 0 CBADMP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H]2CNOC2)cnn1C ZINC000904423611 656326741 /nfs/dbraw/zinc/32/67/41/656326741.db2.gz DXJCARLMXXDXSO-CMPLNLGQSA-N 2 1 253.350 -0.661 20 0 CBADMP C[C@@H]1C[C@@H](C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)CC[NH2+]1 ZINC000904433929 656327592 /nfs/dbraw/zinc/32/75/92/656327592.db2.gz QWNTYEZOHNTVMV-WOPDTQHZSA-N 2 1 288.417 -0.791 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000904955418 656330824 /nfs/dbraw/zinc/33/08/24/656330824.db2.gz CCCUZPJZACCGBN-TYNCELHUSA-N 2 1 294.399 -0.783 20 0 CBADMP O=C1C[NH2+]CCN1Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000905319240 656348675 /nfs/dbraw/zinc/34/86/75/656348675.db2.gz XMGVSNJSVBLTCP-UHFFFAOYSA-N 2 1 279.344 -0.457 20 0 CBADMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905343368 656350507 /nfs/dbraw/zinc/35/05/07/656350507.db2.gz FJEANPCJLPDORG-STQMWFEESA-N 2 1 274.405 -0.055 20 0 CBADMP O[C@H](C[NH2+]C[C@@H](O)C1(O)CCCC1)C[NH+]1CCCC1 ZINC000905346410 656351387 /nfs/dbraw/zinc/35/13/87/656351387.db2.gz QEZMJVMQCLWXES-CHWSQXEVSA-N 2 1 272.389 -0.301 20 0 CBADMP O[C@@H](C[NH2+]CCO[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000905606166 656363789 /nfs/dbraw/zinc/36/37/89/656363789.db2.gz DEJDHCFPASWDGT-STQMWFEESA-N 2 1 258.362 -0.162 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2CCN(C3CC3)CC2)C1 ZINC000906431549 656386925 /nfs/dbraw/zinc/38/69/25/656386925.db2.gz CJAQVGQLXQFCTD-UHFFFAOYSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000906784595 656400654 /nfs/dbraw/zinc/40/06/54/656400654.db2.gz DAYDQGNLJHBQJN-GFCCVEGCSA-N 2 1 276.340 -0.096 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996302074 656407235 /nfs/dbraw/zinc/40/72/35/656407235.db2.gz VZHKZFDLYIOUEA-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP CC1(C)CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1[NH2+]CCO ZINC000996413218 656410587 /nfs/dbraw/zinc/41/05/87/656410587.db2.gz ACFKQTHFSXAEKT-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(N)=O ZINC000996602527 656447737 /nfs/dbraw/zinc/44/77/37/656447737.db2.gz JVUQXXWNHPBSHM-DMDPSCGWSA-N 2 1 296.415 -0.219 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996729351 656454083 /nfs/dbraw/zinc/45/40/83/656454083.db2.gz NRWMCLXLQVLYPY-GFCCVEGCSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996716183 656454298 /nfs/dbraw/zinc/45/42/98/656454298.db2.gz IWEUXRFVHFBBKO-YRGRVCCFSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996716183 656454301 /nfs/dbraw/zinc/45/43/01/656454301.db2.gz IWEUXRFVHFBBKO-YRGRVCCFSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCO)CC2)O1 ZINC000996715439 656454330 /nfs/dbraw/zinc/45/43/30/656454330.db2.gz GEEBZWGJOTUSHV-DGCLKSJQSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCO)CC2)O1 ZINC000996715439 656454333 /nfs/dbraw/zinc/45/43/33/656454333.db2.gz GEEBZWGJOTUSHV-DGCLKSJQSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)CC[N@H+]1C ZINC000996920841 656460564 /nfs/dbraw/zinc/46/05/64/656460564.db2.gz GCFJSPPVKYKLQO-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CCO)CC1 ZINC000997009931 656463226 /nfs/dbraw/zinc/46/32/26/656463226.db2.gz RGGCLMVWXSDNOX-AAEUAGOBSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000996996992 656463293 /nfs/dbraw/zinc/46/32/93/656463293.db2.gz BBYDBHVCHGSCNH-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC000997299610 656471950 /nfs/dbraw/zinc/47/19/50/656471950.db2.gz PYDUPEKIBMPOCR-WDEREUQCSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997299517 656472127 /nfs/dbraw/zinc/47/21/27/656472127.db2.gz OTVWKGGLTYDZEQ-NWDGAFQWSA-N 2 1 269.389 -0.101 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC000997308798 656472848 /nfs/dbraw/zinc/47/28/48/656472848.db2.gz HWHMZMWWXHLXSJ-JTQLQIEISA-N 2 1 293.371 -0.354 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000907441210 656507263 /nfs/dbraw/zinc/50/72/63/656507263.db2.gz VYXGGJWIYFVPAM-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907441210 656507269 /nfs/dbraw/zinc/50/72/69/656507269.db2.gz VYXGGJWIYFVPAM-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000907441210 656507273 /nfs/dbraw/zinc/50/72/73/656507273.db2.gz VYXGGJWIYFVPAM-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000907762839 656571734 /nfs/dbraw/zinc/57/17/34/656571734.db2.gz GCAVIBKVWKABIZ-RISCZKNCSA-N 2 1 293.371 -0.487 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000907762839 656571741 /nfs/dbraw/zinc/57/17/41/656571741.db2.gz GCAVIBKVWKABIZ-RISCZKNCSA-N 2 1 293.371 -0.487 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000998724018 656572185 /nfs/dbraw/zinc/57/21/85/656572185.db2.gz UAOCSDXPIWJZLT-WDEREUQCSA-N 2 1 268.361 -0.854 20 0 CBADMP CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998823601 656588412 /nfs/dbraw/zinc/58/84/12/656588412.db2.gz JEJIBZHGYSCNIF-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998823601 656588423 /nfs/dbraw/zinc/58/84/23/656588423.db2.gz JEJIBZHGYSCNIF-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC([NH2+]CC(N)=O)C1 ZINC000998995063 656601172 /nfs/dbraw/zinc/60/11/72/656601172.db2.gz OTARKLNMCYRVHY-MCIGGMRASA-N 2 1 282.388 -0.465 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000999126632 656611399 /nfs/dbraw/zinc/61/13/99/656611399.db2.gz OXJDPZSUDWDLPM-UHFFFAOYSA-N 2 1 279.344 -0.744 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+][C@H](C)C(N)=O)C1 ZINC000999124661 656611688 /nfs/dbraw/zinc/61/16/88/656611688.db2.gz FOFQXAPHMOGTTC-VOMCLLRMSA-N 2 1 293.371 -0.356 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC000999189572 656615135 /nfs/dbraw/zinc/61/51/35/656615135.db2.gz LOLGKJNWQCBMFV-GRYCIOLGSA-N 2 1 282.388 -0.608 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999301880 656621471 /nfs/dbraw/zinc/62/14/71/656621471.db2.gz DMYZFHSLBGZDTH-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908196718 656663998 /nfs/dbraw/zinc/66/39/98/656663998.db2.gz ZEWIIRLUZBAYSP-WCQYABFASA-N 2 1 257.378 -0.101 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000908200586 656666010 /nfs/dbraw/zinc/66/60/10/656666010.db2.gz JSJDWLLVTVFQOS-XQQFMLRXSA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000004675 656678569 /nfs/dbraw/zinc/67/85/69/656678569.db2.gz CTSRWCNTHVBFKO-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000004675 656678576 /nfs/dbraw/zinc/67/85/76/656678576.db2.gz CTSRWCNTHVBFKO-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)C[NH+](C)C ZINC000908345624 656707598 /nfs/dbraw/zinc/70/75/98/656707598.db2.gz JMVLCAAHGJJIEO-WZRBSPASSA-N 2 1 257.378 -0.245 20 0 CBADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000908346426 656709753 /nfs/dbraw/zinc/70/97/53/656709753.db2.gz GYCMTEIAERWNLZ-YDHLFZDLSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000908346426 656709757 /nfs/dbraw/zinc/70/97/57/656709757.db2.gz GYCMTEIAERWNLZ-YDHLFZDLSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000908346426 656709764 /nfs/dbraw/zinc/70/97/64/656709764.db2.gz GYCMTEIAERWNLZ-YDHLFZDLSA-N 2 1 281.400 -0.004 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[C@@H]3C[NH+](C)C[C@H]32)C1 ZINC000908346889 656711531 /nfs/dbraw/zinc/71/15/31/656711531.db2.gz IMNSCJNVTKAEHI-TZMCWYRMSA-N 2 1 280.416 -0.358 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)C1 ZINC000908346889 656711534 /nfs/dbraw/zinc/71/15/34/656711534.db2.gz IMNSCJNVTKAEHI-TZMCWYRMSA-N 2 1 280.416 -0.358 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000908346889 656711539 /nfs/dbraw/zinc/71/15/39/656711539.db2.gz IMNSCJNVTKAEHI-TZMCWYRMSA-N 2 1 280.416 -0.358 20 0 CBADMP C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001000462957 656716969 /nfs/dbraw/zinc/71/69/69/656716969.db2.gz UOZYCEITWXBREL-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001000516929 656733161 /nfs/dbraw/zinc/73/31/61/656733161.db2.gz CJNVTPJHAOEPPE-DGCLKSJQSA-N 2 1 294.399 -0.297 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001000516929 656733164 /nfs/dbraw/zinc/73/31/64/656733164.db2.gz CJNVTPJHAOEPPE-DGCLKSJQSA-N 2 1 294.399 -0.297 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001000516929 656733167 /nfs/dbraw/zinc/73/31/67/656733167.db2.gz CJNVTPJHAOEPPE-DGCLKSJQSA-N 2 1 294.399 -0.297 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001000516929 656733171 /nfs/dbraw/zinc/73/31/71/656733171.db2.gz CJNVTPJHAOEPPE-DGCLKSJQSA-N 2 1 294.399 -0.297 20 0 CBADMP CN1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000908539882 656744848 /nfs/dbraw/zinc/74/48/48/656744848.db2.gz DIAHUNXZCWGVDB-NFAWXSAZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000908539882 656744854 /nfs/dbraw/zinc/74/48/54/656744854.db2.gz DIAHUNXZCWGVDB-NFAWXSAZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000908539882 656744858 /nfs/dbraw/zinc/74/48/58/656744858.db2.gz DIAHUNXZCWGVDB-NFAWXSAZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000908539882 656744865 /nfs/dbraw/zinc/74/48/65/656744865.db2.gz DIAHUNXZCWGVDB-NFAWXSAZSA-N 2 1 299.415 -0.596 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001000917891 656774082 /nfs/dbraw/zinc/77/40/82/656774082.db2.gz AMVYDZWRWSEJCJ-LBPRGKRZSA-N 2 1 266.345 -0.236 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001001153894 656800826 /nfs/dbraw/zinc/80/08/26/656800826.db2.gz XYBDTBYRCWCENG-YPMHNXCESA-N 2 1 294.399 -0.582 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001001153894 656800828 /nfs/dbraw/zinc/80/08/28/656800828.db2.gz XYBDTBYRCWCENG-YPMHNXCESA-N 2 1 294.399 -0.582 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001001153894 656800831 /nfs/dbraw/zinc/80/08/31/656800831.db2.gz XYBDTBYRCWCENG-YPMHNXCESA-N 2 1 294.399 -0.582 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001001153894 656800832 /nfs/dbraw/zinc/80/08/32/656800832.db2.gz XYBDTBYRCWCENG-YPMHNXCESA-N 2 1 294.399 -0.582 20 0 CBADMP C[N@H+]1CCC[C@@](O)(CC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000909273987 656804336 /nfs/dbraw/zinc/80/43/36/656804336.db2.gz YQYINAMPTKBJTM-OAHLLOKOSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001001263204 656805689 /nfs/dbraw/zinc/80/56/89/656805689.db2.gz INRFTLZYCQUNDF-LBPRGKRZSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H](O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001001278290 656806141 /nfs/dbraw/zinc/80/61/41/656806141.db2.gz JWHVVFSVUIKVJJ-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001001278290 656806143 /nfs/dbraw/zinc/80/61/43/656806143.db2.gz JWHVVFSVUIKVJJ-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001002476090 656835602 /nfs/dbraw/zinc/83/56/02/656835602.db2.gz PPARLLIWVNOIQO-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP CO[C@H](C)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002524296 656836052 /nfs/dbraw/zinc/83/60/52/656836052.db2.gz SDFDVAREGVGMET-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@H](C)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002524296 656836053 /nfs/dbraw/zinc/83/60/53/656836053.db2.gz SDFDVAREGVGMET-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002524293 656836679 /nfs/dbraw/zinc/83/66/79/656836679.db2.gz SDFDVAREGVGMET-JSGCOSHPSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002524293 656836681 /nfs/dbraw/zinc/83/66/81/656836681.db2.gz SDFDVAREGVGMET-JSGCOSHPSA-N 2 1 299.415 -0.068 20 0 CBADMP O=C(NC1CC[NH+](CCO)CC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001002875612 656842611 /nfs/dbraw/zinc/84/26/11/656842611.db2.gz NTZYPJUSTHYFLD-UONOGXRCSA-N 2 1 297.399 -0.578 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC001002861415 656842812 /nfs/dbraw/zinc/84/28/12/656842812.db2.gz XTFJNIVIZXQGJQ-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003544632 656862206 /nfs/dbraw/zinc/86/22/06/656862206.db2.gz RGEAYZVVTGAYJF-NSHDSACASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001003624639 656864570 /nfs/dbraw/zinc/86/45/70/656864570.db2.gz RZTHQUHOKJOONC-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001003624639 656864574 /nfs/dbraw/zinc/86/45/74/656864574.db2.gz RZTHQUHOKJOONC-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003971432 656878539 /nfs/dbraw/zinc/87/85/39/656878539.db2.gz PEUKYKKUQLIOSW-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003971432 656878541 /nfs/dbraw/zinc/87/85/41/656878541.db2.gz PEUKYKKUQLIOSW-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003975574 656878575 /nfs/dbraw/zinc/87/85/75/656878575.db2.gz UNBKCVFZHLFPLD-NSHDSACASA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003971434 656878881 /nfs/dbraw/zinc/87/88/81/656878881.db2.gz PEUKYKKUQLIOSW-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003971434 656878882 /nfs/dbraw/zinc/87/88/82/656878882.db2.gz PEUKYKKUQLIOSW-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003971429 656878973 /nfs/dbraw/zinc/87/89/73/656878973.db2.gz PEUKYKKUQLIOSW-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003971429 656878975 /nfs/dbraw/zinc/87/89/75/656878975.db2.gz PEUKYKKUQLIOSW-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004147040 656881511 /nfs/dbraw/zinc/88/15/11/656881511.db2.gz CJRQFLHVZWIPAP-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CCN(CC(N)=O)CC1 ZINC001004207723 656882772 /nfs/dbraw/zinc/88/27/72/656882772.db2.gz IREYKEIPGQAQPP-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001004207723 656882774 /nfs/dbraw/zinc/88/27/74/656882774.db2.gz IREYKEIPGQAQPP-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001005209070 656896268 /nfs/dbraw/zinc/89/62/68/656896268.db2.gz KCYDSIAWVJMTOO-OCCSQVGLSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001005209070 656896270 /nfs/dbraw/zinc/89/62/70/656896270.db2.gz KCYDSIAWVJMTOO-OCCSQVGLSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)[C@H]1CCC[NH+]1C ZINC000910931039 656902162 /nfs/dbraw/zinc/90/21/62/656902162.db2.gz MVAILHIIZPGNCP-RWMBFGLXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)[C@H]1CCC[NH+]1C ZINC000910931039 656902167 /nfs/dbraw/zinc/90/21/67/656902167.db2.gz MVAILHIIZPGNCP-RWMBFGLXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000910931039 656902173 /nfs/dbraw/zinc/90/21/73/656902173.db2.gz MVAILHIIZPGNCP-RWMBFGLXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)[C@H]1CCC[N@H+]1C ZINC000910931039 656902179 /nfs/dbraw/zinc/90/21/79/656902179.db2.gz MVAILHIIZPGNCP-RWMBFGLXSA-N 2 1 269.389 -0.006 20 0 CBADMP 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 656928319 /nfs/dbraw/zinc/92/83/19/656928319.db2.gz CVAJFGNRAJLWPB-WRWGMCAJSA-N 2 1 282.388 -0.609 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC[N@H+]1C ZINC000911006171 656928498 /nfs/dbraw/zinc/92/84/98/656928498.db2.gz DJFKKEPOVFSACI-UTUOFQBUSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000911009593 656928811 /nfs/dbraw/zinc/92/88/11/656928811.db2.gz SUIWTBMGUASAAQ-WRWGMCAJSA-N 2 1 282.388 -0.691 20 0 CBADMP 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 656929389 /nfs/dbraw/zinc/92/93/89/656929389.db2.gz HKYYNOFWUNRICE-FDYHWXHSSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C[C@H]1[NH3+] ZINC000911015593 656931538 /nfs/dbraw/zinc/93/15/38/656931538.db2.gz QKZFURZNFJMOSP-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911016111 656931680 /nfs/dbraw/zinc/93/16/80/656931680.db2.gz VQHHFTQMEVWAPD-LLVKDONJSA-N 2 1 282.388 -0.558 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC[NH+](CC(N)=O)CC2)C1 ZINC001005990431 656933939 /nfs/dbraw/zinc/93/39/39/656933939.db2.gz GSDVVFLPYKOWME-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC[NH+](CC(N)=O)CC2)C1 ZINC001005990431 656933952 /nfs/dbraw/zinc/93/39/52/656933952.db2.gz GSDVVFLPYKOWME-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001006000203 656935550 /nfs/dbraw/zinc/93/55/50/656935550.db2.gz FGCOIIJTUKRMDO-WCQYABFASA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001006000203 656935555 /nfs/dbraw/zinc/93/55/55/656935555.db2.gz FGCOIIJTUKRMDO-WCQYABFASA-N 2 1 296.415 -0.408 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000911058476 656937792 /nfs/dbraw/zinc/93/77/92/656937792.db2.gz AACMKTHAGJJMHD-MVWJERBFSA-N 2 1 280.372 -0.794 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911136591 656960486 /nfs/dbraw/zinc/96/04/86/656960486.db2.gz APNQCQQHWYUJMQ-MWLCHTKSSA-N 2 1 279.344 -0.887 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911138025 656961817 /nfs/dbraw/zinc/96/18/17/656961817.db2.gz LMBHGZQUQMBNGH-LLVKDONJSA-N 2 1 293.371 -0.578 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000911147756 656962736 /nfs/dbraw/zinc/96/27/36/656962736.db2.gz SNCIVOOYXUQZDC-FPQZTECRSA-N 2 1 294.399 -0.691 20 0 CBADMP 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 656962895 /nfs/dbraw/zinc/96/28/95/656962895.db2.gz RGSABBIIHNKLOR-MPPDQPJWSA-N 2 1 294.399 -0.467 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)C[N@H+]1C1CC1 ZINC000911148030 656964136 /nfs/dbraw/zinc/96/41/36/656964136.db2.gz UMOLXSOHIPOOIP-UWVGGRQHSA-N 2 1 280.372 -0.665 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911160355 656967087 /nfs/dbraw/zinc/96/70/87/656967087.db2.gz BVGBHFYBNDOFCV-AVGNSLFASA-N 2 1 296.415 -0.312 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911187302 656975592 /nfs/dbraw/zinc/97/55/92/656975592.db2.gz OBTRHMYIUIEMAD-UPJWGTAASA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)[N@@H+](C)C1CC1 ZINC000911207460 656984551 /nfs/dbraw/zinc/98/45/51/656984551.db2.gz UTWVGMFKAQBAPQ-JFGNBEQYSA-N 2 1 282.388 -0.691 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000911205345 656985556 /nfs/dbraw/zinc/98/55/56/656985556.db2.gz JTNVVEPNWQXHJL-TUAOUCFPSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000911214438 656986756 /nfs/dbraw/zinc/98/67/56/656986756.db2.gz FBPPAIFQESVKAR-FVCCEPFGSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1[NH3+] ZINC000911214498 656987619 /nfs/dbraw/zinc/98/76/19/656987619.db2.gz GHDQRLWEJVQWBG-FDYHWXHSSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000911216394 656987664 /nfs/dbraw/zinc/98/76/64/656987664.db2.gz ZCXVXCQOCNUWBL-NQBHXWOUSA-N 2 1 294.399 -0.608 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NCCC[NH3+])C1 ZINC000911266768 657001773 /nfs/dbraw/zinc/00/17/73/657001773.db2.gz KGRGFUOELAHECE-UHFFFAOYSA-N 2 1 270.377 -0.701 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000911267820 657003059 /nfs/dbraw/zinc/00/30/59/657003059.db2.gz ABCKFZXLVQOFQA-ZDEQEGDKSA-N 2 1 294.399 -0.417 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000911267818 657003121 /nfs/dbraw/zinc/00/31/21/657003121.db2.gz ABCKFZXLVQOFQA-LPWJVIDDSA-N 2 1 294.399 -0.417 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000911270844 657005150 /nfs/dbraw/zinc/00/51/50/657005150.db2.gz SKFVAAPBFZCDLT-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000911270844 657005156 /nfs/dbraw/zinc/00/51/56/657005156.db2.gz SKFVAAPBFZCDLT-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911279046 657007460 /nfs/dbraw/zinc/00/74/60/657007460.db2.gz AVHSNIIRNSGYEW-SNVBAGLBSA-N 2 1 270.377 -0.702 20 0 CBADMP CNC(=O)CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001007370338 657008002 /nfs/dbraw/zinc/00/80/02/657008002.db2.gz ZFTIYVBBJJXQCI-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911282190 657008395 /nfs/dbraw/zinc/00/83/95/657008395.db2.gz NSMNULMZFCTVDA-UHFFFAOYSA-N 2 1 284.404 -0.440 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911291704 657012200 /nfs/dbraw/zinc/01/22/00/657012200.db2.gz MYIAQJMJOPFKRP-SLEUVZQESA-N 2 1 296.415 -0.504 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000911291495 657012487 /nfs/dbraw/zinc/01/24/87/657012487.db2.gz KYJABJUBEIKISZ-CHWSQXEVSA-N 2 1 298.431 -0.114 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000911291495 657012489 /nfs/dbraw/zinc/01/24/89/657012489.db2.gz KYJABJUBEIKISZ-CHWSQXEVSA-N 2 1 298.431 -0.114 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000911296265 657012898 /nfs/dbraw/zinc/01/28/98/657012898.db2.gz KYTRTXUTRYZQTC-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000911296265 657012903 /nfs/dbraw/zinc/01/29/03/657012903.db2.gz KYTRTXUTRYZQTC-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911293989 657013325 /nfs/dbraw/zinc/01/33/25/657013325.db2.gz UJCTVGMHCSRXIN-COPLHBTASA-N 2 1 282.388 -0.893 20 0 CBADMP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001007623981 657016801 /nfs/dbraw/zinc/01/68/01/657016801.db2.gz KWFUXDSSLACWLF-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001007623981 657016808 /nfs/dbraw/zinc/01/68/08/657016808.db2.gz KWFUXDSSLACWLF-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001007623981 657016816 /nfs/dbraw/zinc/01/68/16/657016816.db2.gz KWFUXDSSLACWLF-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001007623981 657016821 /nfs/dbraw/zinc/01/68/21/657016821.db2.gz KWFUXDSSLACWLF-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000911324526 657020775 /nfs/dbraw/zinc/02/07/75/657020775.db2.gz DZOXABUYEKXTIG-NWDGAFQWSA-N 2 1 294.399 -0.273 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000911370001 657028671 /nfs/dbraw/zinc/02/86/71/657028671.db2.gz KQIQQARRJADCDZ-FVCCEPFGSA-N 2 1 296.415 -0.348 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000911370001 657028675 /nfs/dbraw/zinc/02/86/75/657028675.db2.gz KQIQQARRJADCDZ-FVCCEPFGSA-N 2 1 296.415 -0.348 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911370108 657028706 /nfs/dbraw/zinc/02/87/06/657028706.db2.gz PAFIRQTVANDNIK-IJLUTSLNSA-N 2 1 282.388 -0.689 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911381132 657032868 /nfs/dbraw/zinc/03/28/68/657032868.db2.gz ROJVRHPAXREGQJ-AGIUHOORSA-N 2 1 296.415 -0.441 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000911482212 657054753 /nfs/dbraw/zinc/05/47/53/657054753.db2.gz ZWBBMKDGIFGDAU-UHFFFAOYSA-N 2 1 293.371 -0.404 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1(C)C ZINC000911486410 657054768 /nfs/dbraw/zinc/05/47/68/657054768.db2.gz AYFRXOROXKWIRL-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1(C)C ZINC000911486410 657054770 /nfs/dbraw/zinc/05/47/70/657054770.db2.gz AYFRXOROXKWIRL-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911503919 657057552 /nfs/dbraw/zinc/05/75/52/657057552.db2.gz DSBDPIJMWNDRHU-UHFFFAOYSA-N 2 1 293.371 -0.352 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])CC3)CC[C@@H]21 ZINC000911506598 657060745 /nfs/dbraw/zinc/06/07/45/657060745.db2.gz PMVOONGPRXKGCR-QWRGUYRKSA-N 2 1 280.372 -0.854 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911528545 657066978 /nfs/dbraw/zinc/06/69/78/657066978.db2.gz PTDKFHIPXHUWCR-GFCCVEGCSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911527516 657067100 /nfs/dbraw/zinc/06/71/00/657067100.db2.gz GPTGKNJFALWHMZ-VXGBXAGGSA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911528771 657068577 /nfs/dbraw/zinc/06/85/77/657068577.db2.gz RJZWAQMRSHSLBG-QWRGUYRKSA-N 2 1 282.388 -0.689 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000911531315 657068718 /nfs/dbraw/zinc/06/87/18/657068718.db2.gz GYPHICIGGIVCDL-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911533127 657069562 /nfs/dbraw/zinc/06/95/62/657069562.db2.gz NEQGPOKKIKXLOJ-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(C)C ZINC000911536895 657071402 /nfs/dbraw/zinc/07/14/02/657071402.db2.gz CYEMYWUQCFELGU-YNEHKIRRSA-N 2 1 296.415 -0.158 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1(C)C ZINC000911551821 657075507 /nfs/dbraw/zinc/07/55/07/657075507.db2.gz QNIJRRQCVUGASZ-GRYCIOLGSA-N 2 1 294.399 -0.452 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1(C)C ZINC000911551821 657075516 /nfs/dbraw/zinc/07/55/16/657075516.db2.gz QNIJRRQCVUGASZ-GRYCIOLGSA-N 2 1 294.399 -0.452 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911557248 657076615 /nfs/dbraw/zinc/07/66/15/657076615.db2.gz NEIWFISTPNVXFN-AVGNSLFASA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911552552 657076945 /nfs/dbraw/zinc/07/69/45/657076945.db2.gz YXLJQCPRXPRMSY-NOOOWODRSA-N 2 1 280.372 -0.794 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911559217 657077939 /nfs/dbraw/zinc/07/79/39/657077939.db2.gz CMMGCRNREZULOL-JHJVBQTASA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911559217 657077945 /nfs/dbraw/zinc/07/79/45/657077945.db2.gz CMMGCRNREZULOL-JHJVBQTASA-N 2 1 296.415 -0.362 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911564977 657080191 /nfs/dbraw/zinc/08/01/91/657080191.db2.gz XMVCSPLQAWBRSL-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000911695626 657104489 /nfs/dbraw/zinc/10/44/89/657104489.db2.gz OLNJUQQKPVAQCJ-CYBMUJFWSA-N 2 1 268.405 -0.119 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000911829740 657141159 /nfs/dbraw/zinc/14/11/59/657141159.db2.gz UTFXTRYPVYIDKZ-KYEXWDHISA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000911829740 657141172 /nfs/dbraw/zinc/14/11/72/657141172.db2.gz UTFXTRYPVYIDKZ-KYEXWDHISA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000911829740 657141175 /nfs/dbraw/zinc/14/11/75/657141175.db2.gz UTFXTRYPVYIDKZ-KYEXWDHISA-N 2 1 281.400 -0.148 20 0 CBADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000912053683 657187487 /nfs/dbraw/zinc/18/74/87/657187487.db2.gz CYJCADLGFDJISZ-GUTXKFCHSA-N 2 1 297.399 -0.889 20 0 CBADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000912053683 657187489 /nfs/dbraw/zinc/18/74/89/657187489.db2.gz CYJCADLGFDJISZ-GUTXKFCHSA-N 2 1 297.399 -0.889 20 0 CBADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000912053683 657187491 /nfs/dbraw/zinc/18/74/91/657187491.db2.gz CYJCADLGFDJISZ-GUTXKFCHSA-N 2 1 297.399 -0.889 20 0 CBADMP CN(CC[N@H+](C)CCO)C(=O)CC[NH+]1CCOCC1 ZINC000912607007 657296249 /nfs/dbraw/zinc/29/62/49/657296249.db2.gz OALCFNQXYZKJTA-UHFFFAOYSA-N 2 1 273.377 -0.909 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)CC[NH+]1CCOCC1 ZINC000912607007 657296251 /nfs/dbraw/zinc/29/62/51/657296251.db2.gz OALCFNQXYZKJTA-UHFFFAOYSA-N 2 1 273.377 -0.909 20 0 CBADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014920678 657390854 /nfs/dbraw/zinc/39/08/54/657390854.db2.gz OVVNMNSWJGORAH-JHJVBQTASA-N 2 1 285.388 -0.458 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014920678 657390861 /nfs/dbraw/zinc/39/08/61/657390861.db2.gz OVVNMNSWJGORAH-JHJVBQTASA-N 2 1 285.388 -0.458 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014920678 657390865 /nfs/dbraw/zinc/39/08/65/657390865.db2.gz OVVNMNSWJGORAH-JHJVBQTASA-N 2 1 285.388 -0.458 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014920678 657390868 /nfs/dbraw/zinc/39/08/68/657390868.db2.gz OVVNMNSWJGORAH-JHJVBQTASA-N 2 1 285.388 -0.458 20 0 CBADMP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000913178066 657395314 /nfs/dbraw/zinc/39/53/14/657395314.db2.gz BQTKYLUXNTXDIS-UKRRQHHQSA-N 2 1 297.399 -0.530 20 0 CBADMP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000913178066 657395321 /nfs/dbraw/zinc/39/53/21/657395321.db2.gz BQTKYLUXNTXDIS-UKRRQHHQSA-N 2 1 297.399 -0.530 20 0 CBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913190822 657420582 /nfs/dbraw/zinc/42/05/82/657420582.db2.gz NBUGHORPXYLQNU-OCCSQVGLSA-N 2 1 285.388 -0.672 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913190822 657420586 /nfs/dbraw/zinc/42/05/86/657420586.db2.gz NBUGHORPXYLQNU-OCCSQVGLSA-N 2 1 285.388 -0.672 20 0 CBADMP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913195853 657424477 /nfs/dbraw/zinc/42/44/77/657424477.db2.gz HOYAFXZMZNIALX-HIFRSBDPSA-N 2 1 299.415 -0.425 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913195853 657424483 /nfs/dbraw/zinc/42/44/83/657424483.db2.gz HOYAFXZMZNIALX-HIFRSBDPSA-N 2 1 299.415 -0.425 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCO)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001015322555 657430455 /nfs/dbraw/zinc/43/04/55/657430455.db2.gz CRIGDYYAARQIJZ-SBEAFCBVSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(N[C@H]1CC[NH+](CCO)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001015322555 657430466 /nfs/dbraw/zinc/43/04/66/657430466.db2.gz CRIGDYYAARQIJZ-SBEAFCBVSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(N[C@H]1CC[NH+](CCO)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001015322555 657430478 /nfs/dbraw/zinc/43/04/78/657430478.db2.gz CRIGDYYAARQIJZ-SBEAFCBVSA-N 2 1 295.383 -0.968 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001015295214 657430828 /nfs/dbraw/zinc/43/08/28/657430828.db2.gz QIKIOEFVGBWWIR-VXGBXAGGSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001015295214 657430832 /nfs/dbraw/zinc/43/08/32/657430832.db2.gz QIKIOEFVGBWWIR-VXGBXAGGSA-N 2 1 266.345 -0.237 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCO)C1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001015322553 657431603 /nfs/dbraw/zinc/43/16/03/657431603.db2.gz CRIGDYYAARQIJZ-FMPXUHTOSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(N[C@H]1CC[NH+](CCO)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001015322553 657431606 /nfs/dbraw/zinc/43/16/06/657431606.db2.gz CRIGDYYAARQIJZ-FMPXUHTOSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(N[C@H]1CC[NH+](CCO)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001015322553 657431610 /nfs/dbraw/zinc/43/16/10/657431610.db2.gz CRIGDYYAARQIJZ-FMPXUHTOSA-N 2 1 295.383 -0.968 20 0 CBADMP CN1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000913334579 657441323 /nfs/dbraw/zinc/44/13/23/657441323.db2.gz NXOHCGYJHBWGDO-DMDPSCGWSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000913334579 657441329 /nfs/dbraw/zinc/44/13/29/657441329.db2.gz NXOHCGYJHBWGDO-DMDPSCGWSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000913334579 657441331 /nfs/dbraw/zinc/44/13/31/657441331.db2.gz NXOHCGYJHBWGDO-DMDPSCGWSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1CCC[C@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000913334579 657441336 /nfs/dbraw/zinc/44/13/36/657441336.db2.gz NXOHCGYJHBWGDO-DMDPSCGWSA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000913426953 657448688 /nfs/dbraw/zinc/44/86/88/657448688.db2.gz HHQJSCOYXGDEMK-ZOWXZIJZSA-N 2 1 299.415 -0.597 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000913426953 657448697 /nfs/dbraw/zinc/44/86/97/657448697.db2.gz HHQJSCOYXGDEMK-ZOWXZIJZSA-N 2 1 299.415 -0.597 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000913426953 657448709 /nfs/dbraw/zinc/44/87/09/657448709.db2.gz HHQJSCOYXGDEMK-ZOWXZIJZSA-N 2 1 299.415 -0.597 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000913426953 657448719 /nfs/dbraw/zinc/44/87/19/657448719.db2.gz HHQJSCOYXGDEMK-ZOWXZIJZSA-N 2 1 299.415 -0.597 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CC[N@H+](CCO)C1)CC2 ZINC001015619611 657481255 /nfs/dbraw/zinc/48/12/55/657481255.db2.gz BFZHYRMZYWZRBP-CHWSQXEVSA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCO)C1)CC2 ZINC001015619611 657481261 /nfs/dbraw/zinc/48/12/61/657481261.db2.gz BFZHYRMZYWZRBP-CHWSQXEVSA-N 2 1 292.383 -0.063 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001015649634 657503694 /nfs/dbraw/zinc/50/36/94/657503694.db2.gz WPEJKZICEPQCRP-STQMWFEESA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001015649634 657503704 /nfs/dbraw/zinc/50/37/04/657503704.db2.gz WPEJKZICEPQCRP-STQMWFEESA-N 2 1 294.399 -0.593 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015655347 657504469 /nfs/dbraw/zinc/50/44/69/657504469.db2.gz NTVUEJPQLATTJJ-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015655347 657504478 /nfs/dbraw/zinc/50/44/78/657504478.db2.gz NTVUEJPQLATTJJ-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[N@H+](CCO)C1)C2 ZINC001015707115 657523653 /nfs/dbraw/zinc/52/36/53/657523653.db2.gz ZXVMWDFZWGMRME-STQMWFEESA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCO)C1)C2 ZINC001015707115 657523660 /nfs/dbraw/zinc/52/36/60/657523660.db2.gz ZXVMWDFZWGMRME-STQMWFEESA-N 2 1 292.383 -0.063 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001015704640 657524381 /nfs/dbraw/zinc/52/43/81/657524381.db2.gz BODONGNKNHZNQB-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001015704640 657524389 /nfs/dbraw/zinc/52/43/89/657524389.db2.gz BODONGNKNHZNQB-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001015704640 657524403 /nfs/dbraw/zinc/52/44/03/657524403.db2.gz BODONGNKNHZNQB-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913548107 657535470 /nfs/dbraw/zinc/53/54/70/657535470.db2.gz DAAZTASDYOTFHO-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913548107 657535501 /nfs/dbraw/zinc/53/55/01/657535501.db2.gz DAAZTASDYOTFHO-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000913679929 657580841 /nfs/dbraw/zinc/58/08/41/657580841.db2.gz WYZAAKYHFRYGCX-ZDUSSCGKSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000913679929 657580845 /nfs/dbraw/zinc/58/08/45/657580845.db2.gz WYZAAKYHFRYGCX-ZDUSSCGKSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000913679914 657581470 /nfs/dbraw/zinc/58/14/70/657581470.db2.gz WLFRCWZDSSFKDN-LBPRGKRZSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000913679914 657581478 /nfs/dbraw/zinc/58/14/78/657581478.db2.gz WLFRCWZDSSFKDN-LBPRGKRZSA-N 2 1 285.388 -0.768 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001015997458 657627706 /nfs/dbraw/zinc/62/77/06/657627706.db2.gz CNJRUUVFOWUZJA-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001015997458 657627713 /nfs/dbraw/zinc/62/77/13/657627713.db2.gz CNJRUUVFOWUZJA-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001015997458 657627718 /nfs/dbraw/zinc/62/77/18/657627718.db2.gz CNJRUUVFOWUZJA-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001016248621 657671468 /nfs/dbraw/zinc/67/14/68/657671468.db2.gz CFCGTRKGSIRNQJ-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001016248621 657671474 /nfs/dbraw/zinc/67/14/74/657671474.db2.gz CFCGTRKGSIRNQJ-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001016248621 657671482 /nfs/dbraw/zinc/67/14/82/657671482.db2.gz CFCGTRKGSIRNQJ-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001016255250 657676022 /nfs/dbraw/zinc/67/60/22/657676022.db2.gz LTKUHJWDIMVKNN-CHWSQXEVSA-N 2 1 294.399 -0.639 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001016255250 657676038 /nfs/dbraw/zinc/67/60/38/657676038.db2.gz LTKUHJWDIMVKNN-CHWSQXEVSA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC001016255250 657676056 /nfs/dbraw/zinc/67/60/56/657676056.db2.gz LTKUHJWDIMVKNN-CHWSQXEVSA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001016255250 657676077 /nfs/dbraw/zinc/67/60/77/657676077.db2.gz LTKUHJWDIMVKNN-CHWSQXEVSA-N 2 1 294.399 -0.639 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001016543643 657718445 /nfs/dbraw/zinc/71/84/45/657718445.db2.gz PDVPHEXHVJIIQT-RYUDHWBXSA-N 2 1 294.399 -0.463 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CCO)CC3)C1 ZINC001016968817 657742822 /nfs/dbraw/zinc/74/28/22/657742822.db2.gz HSISBEPJELFIPK-CHWSQXEVSA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@@H]1CN(CCNC(=O)NC[C@H]2CC[N@H+]2C)CCO1 ZINC000915826962 657751779 /nfs/dbraw/zinc/75/17/79/657751779.db2.gz GCDKOEFWOYOKAJ-VXGBXAGGSA-N 2 1 270.377 -0.290 20 0 CBADMP C[C@@H]1CN(CCNC(=O)NC[C@H]2CCN2C)CCO1 ZINC000915826962 657751786 /nfs/dbraw/zinc/75/17/86/657751786.db2.gz GCDKOEFWOYOKAJ-VXGBXAGGSA-N 2 1 270.377 -0.290 20 0 CBADMP CC[C@H](CO)[NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000915875445 657754522 /nfs/dbraw/zinc/75/45/22/657754522.db2.gz KGCJLISQNISEPI-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000916841517 657787793 /nfs/dbraw/zinc/78/77/93/657787793.db2.gz GAHLLUYDGFFLFM-FRRDWIJNSA-N 2 1 282.388 -0.147 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000916841517 657787801 /nfs/dbraw/zinc/78/78/01/657787801.db2.gz GAHLLUYDGFFLFM-FRRDWIJNSA-N 2 1 282.388 -0.147 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000916841517 657787811 /nfs/dbraw/zinc/78/78/11/657787811.db2.gz GAHLLUYDGFFLFM-FRRDWIJNSA-N 2 1 282.388 -0.147 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001018961353 657855132 /nfs/dbraw/zinc/85/51/32/657855132.db2.gz AHZPODLVPPATCD-STQMWFEESA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@H]([NH2+]CCO)C1)C1CCC1 ZINC001018971854 657855951 /nfs/dbraw/zinc/85/59/51/657855951.db2.gz WYNKQUGPZRZJJK-NSHDSACASA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001019069790 657861480 /nfs/dbraw/zinc/86/14/80/657861480.db2.gz ITSPAKUJSBXYRQ-MNOVXSKESA-N 2 1 296.371 -0.079 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001019153404 657866663 /nfs/dbraw/zinc/86/66/63/657866663.db2.gz XNZTZMABZDZHOF-MNOVXSKESA-N 2 1 279.344 -0.744 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C ZINC000920420771 657874699 /nfs/dbraw/zinc/87/46/99/657874699.db2.gz AQAQQTXYBUPRQI-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP COCCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000920420771 657874702 /nfs/dbraw/zinc/87/47/02/657874702.db2.gz AQAQQTXYBUPRQI-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP COCCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000920420771 657874704 /nfs/dbraw/zinc/87/47/04/657874704.db2.gz AQAQQTXYBUPRQI-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)C[NH+]1CCN(C)CC1 ZINC000920453110 657876493 /nfs/dbraw/zinc/87/64/93/657876493.db2.gz XRFGZMUGOHJROK-KBPBESRZSA-N 2 1 297.447 -0.127 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019468072 657897798 /nfs/dbraw/zinc/89/77/98/657897798.db2.gz FOWQQSYCNPOLTJ-QWHCGFSZSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001019518544 657903821 /nfs/dbraw/zinc/90/38/21/657903821.db2.gz SBNYNDJBQWKGMN-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001019772624 657937310 /nfs/dbraw/zinc/93/73/10/657937310.db2.gz MFVFTVGYIQZDAF-RYUDHWBXSA-N 2 1 292.387 -0.245 20 0 CBADMP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001019772624 657937327 /nfs/dbraw/zinc/93/73/27/657937327.db2.gz MFVFTVGYIQZDAF-RYUDHWBXSA-N 2 1 292.387 -0.245 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001019772360 657937483 /nfs/dbraw/zinc/93/74/83/657937483.db2.gz BIRVCKHODSSXJZ-RYUDHWBXSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001019772360 657937493 /nfs/dbraw/zinc/93/74/93/657937493.db2.gz BIRVCKHODSSXJZ-RYUDHWBXSA-N 2 1 292.387 -0.543 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001020026257 657986169 /nfs/dbraw/zinc/98/61/69/657986169.db2.gz MRFUCULHEOQVPX-LPWJVIDDSA-N 2 1 294.399 -0.404 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001020025578 657986346 /nfs/dbraw/zinc/98/63/46/657986346.db2.gz UIFYZZZUFQBZQB-AVGNSLFASA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020026110 657986964 /nfs/dbraw/zinc/98/69/64/657986964.db2.gz HMPQZVSCATUYRI-DDHJBXDOSA-N 2 1 280.372 -0.794 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001020026256 657987107 /nfs/dbraw/zinc/98/71/07/657987107.db2.gz MRFUCULHEOQVPX-FDYHWXHSSA-N 2 1 294.399 -0.404 20 0 CBADMP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001020026173 657987711 /nfs/dbraw/zinc/98/77/11/657987711.db2.gz JOBLXINGKZYVOS-NQBHXWOUSA-N 2 1 292.387 -0.354 20 0 CBADMP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001020026543 657988768 /nfs/dbraw/zinc/98/87/68/657988768.db2.gz XAHLKCSCZXKUGG-NQBHXWOUSA-N 2 1 292.387 -0.354 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001020026493 657991712 /nfs/dbraw/zinc/99/17/12/657991712.db2.gz VICZGHYFDHZYBW-GVXVVHGQSA-N 2 1 292.387 -0.354 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001020026493 657991729 /nfs/dbraw/zinc/99/17/29/657991729.db2.gz VICZGHYFDHZYBW-GVXVVHGQSA-N 2 1 292.387 -0.354 20 0 CBADMP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC001020028511 657992132 /nfs/dbraw/zinc/99/21/32/657992132.db2.gz BDZOFGSZWNFJPA-SRVKXCTJSA-N 2 1 292.387 -0.056 20 0 CBADMP CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001020047453 657996727 /nfs/dbraw/zinc/99/67/27/657996727.db2.gz NPNQRLUWKSDMQQ-IJLUTSLNSA-N 2 1 255.362 -0.036 20 0 CBADMP CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001020047453 657996739 /nfs/dbraw/zinc/99/67/39/657996739.db2.gz NPNQRLUWKSDMQQ-IJLUTSLNSA-N 2 1 255.362 -0.036 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CC3)C2)C1 ZINC001020045710 657998024 /nfs/dbraw/zinc/99/80/24/657998024.db2.gz JEXTYDMEXIWVEY-JHJVBQTASA-N 2 1 267.373 -0.036 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CC3)C2)C1 ZINC001020045710 657998036 /nfs/dbraw/zinc/99/80/36/657998036.db2.gz JEXTYDMEXIWVEY-JHJVBQTASA-N 2 1 267.373 -0.036 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000922164570 658014884 /nfs/dbraw/zinc/01/48/84/658014884.db2.gz WDXBNQQWAGSTSC-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001020143750 658017052 /nfs/dbraw/zinc/01/70/52/658017052.db2.gz CUIBSZQGWVKMAL-FDYHWXHSSA-N 2 1 296.415 -0.030 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001020143751 658018367 /nfs/dbraw/zinc/01/83/67/658018367.db2.gz CUIBSZQGWVKMAL-LPWJVIDDSA-N 2 1 296.415 -0.030 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)no1 ZINC001020333094 658038795 /nfs/dbraw/zinc/03/87/95/658038795.db2.gz KQLGNSJPSCQSJJ-MGCOHNPYSA-N 2 1 282.344 -0.421 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1)C(N)=O ZINC001020397916 658047841 /nfs/dbraw/zinc/04/78/41/658047841.db2.gz JAPVQLKNEUWHIU-IJLUTSLNSA-N 2 1 293.371 -0.308 20 0 CBADMP C[C@@H](O)C[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001020588872 658076366 /nfs/dbraw/zinc/07/63/66/658076366.db2.gz OZQFXYJTPGIYSB-RNJOBUHISA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020589021 658077190 /nfs/dbraw/zinc/07/71/90/658077190.db2.gz UUUDSHYKILVXOI-GMTAPVOTSA-N 2 1 268.361 -0.950 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1)C2 ZINC001020591392 658076506 /nfs/dbraw/zinc/07/65/06/658076506.db2.gz MMPLHHALSVATRM-JHJVBQTASA-N 2 1 292.383 -0.017 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020586419 658076729 /nfs/dbraw/zinc/07/67/29/658076729.db2.gz NYHUSIFMLVDZPA-DCAQKATOSA-N 2 1 268.361 -0.807 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020590306 658076852 /nfs/dbraw/zinc/07/68/52/658076852.db2.gz RRFGRQKQTAFYMZ-FIQHERPVSA-N 2 1 255.362 -0.587 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1)C2 ZINC001020591391 658077110 /nfs/dbraw/zinc/07/71/10/658077110.db2.gz MMPLHHALSVATRM-AVGNSLFASA-N 2 1 292.383 -0.017 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001020590101 658077259 /nfs/dbraw/zinc/07/72/59/658077259.db2.gz MBXMKESTYLXVPD-LPWJVIDDSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020586787 658077285 /nfs/dbraw/zinc/07/72/85/658077285.db2.gz ZDWGBZMWXGMFFY-CYDGBPFRSA-N 2 1 294.399 -0.404 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020591716 658078103 /nfs/dbraw/zinc/07/81/03/658078103.db2.gz SVNQWWZJZLPOSP-HAQNSBGRSA-N 2 1 269.389 -0.053 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001020928340 658118974 /nfs/dbraw/zinc/11/89/74/658118974.db2.gz CMZLSADQFOBLER-ZDEQEGDKSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC1([NH+](C)C)CC1 ZINC000922989788 658123128 /nfs/dbraw/zinc/12/31/28/658123128.db2.gz AIXXMMLLELJIPD-GFCCVEGCSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC1([NH+](C)C)CC1 ZINC000922989788 658123160 /nfs/dbraw/zinc/12/31/60/658123160.db2.gz AIXXMMLLELJIPD-GFCCVEGCSA-N 2 1 284.404 -0.211 20 0 CBADMP C[NH+](C)C1(CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000923004041 658127937 /nfs/dbraw/zinc/12/79/37/658127937.db2.gz ZKMUQBSODYXXEU-CYBMUJFWSA-N 2 1 270.377 -0.554 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001021047603 658132908 /nfs/dbraw/zinc/13/29/08/658132908.db2.gz JCNCGSLAIMMCNO-BJDJZHNGSA-N 2 1 280.372 -0.937 20 0 CBADMP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001021045293 658136013 /nfs/dbraw/zinc/13/60/13/658136013.db2.gz ZVURNLRDAYIRSJ-LPWJVIDDSA-N 2 1 294.399 -0.594 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021047753 658137232 /nfs/dbraw/zinc/13/72/32/658137232.db2.gz NLCVJUHIIOVYQO-IJLUTSLNSA-N 2 1 292.387 -0.496 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001021080335 658145042 /nfs/dbraw/zinc/14/50/42/658145042.db2.gz MNGJVZNKCSBRBS-ZDEQEGDKSA-N 2 1 285.388 -0.675 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001021080335 658145095 /nfs/dbraw/zinc/14/50/95/658145095.db2.gz MNGJVZNKCSBRBS-ZDEQEGDKSA-N 2 1 285.388 -0.675 20 0 CBADMP C[NH+]1CCN(CC(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)CC1 ZINC000923279764 658188057 /nfs/dbraw/zinc/18/80/57/658188057.db2.gz BPPMMEMZCJJLAF-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP C[NH+]1CCN(CC(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)CC1 ZINC000923279764 658188068 /nfs/dbraw/zinc/18/80/68/658188068.db2.gz BPPMMEMZCJJLAF-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP CNC(=O)[C@H]1CCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303456 658198539 /nfs/dbraw/zinc/19/85/39/658198539.db2.gz NFOOXKWWDGYYJK-VXGBXAGGSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923313957 658201502 /nfs/dbraw/zinc/20/15/02/658201502.db2.gz NSTMYGWKUGWGAE-WOPDTQHZSA-N 2 1 265.357 -0.282 20 0 CBADMP O=C1NC[C@@H]2C[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CCN12 ZINC000923314252 658204587 /nfs/dbraw/zinc/20/45/87/658204587.db2.gz FFNJKWPTHJSYDX-MNOVXSKESA-N 2 1 266.345 -0.926 20 0 CBADMP O=C1NC[C@@H]2C[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CCN12 ZINC000923314252 658204617 /nfs/dbraw/zinc/20/46/17/658204617.db2.gz FFNJKWPTHJSYDX-MNOVXSKESA-N 2 1 266.345 -0.926 20 0 CBADMP CNC(=O)[C@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306189 658205011 /nfs/dbraw/zinc/20/50/11/658205011.db2.gz HXLFSJWJJAQANP-WDEREUQCSA-N 2 1 253.346 -0.425 20 0 CBADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923314248 658206529 /nfs/dbraw/zinc/20/65/29/658206529.db2.gz FFKMCVAMSMLQTG-MNOVXSKESA-N 2 1 255.362 -0.321 20 0 CBADMP c1cnc(N2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)cn1 ZINC000923322707 658209373 /nfs/dbraw/zinc/20/93/73/658209373.db2.gz YTIVMIMUHUIMFV-CYBMUJFWSA-N 2 1 289.383 -0.023 20 0 CBADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923322795 658212756 /nfs/dbraw/zinc/21/27/56/658212756.db2.gz ODZBTPGQAYJURX-MXAVVETBSA-N 3 1 285.432 -0.138 20 0 CBADMP CCC[C@@H]1C[NH2+]CCN1C[C@H](O)C[N@@H+](C)CCOC ZINC000923330410 658213679 /nfs/dbraw/zinc/21/36/79/658213679.db2.gz DWBVVLJGTHLBMR-ZIAGYGMSSA-N 2 1 273.421 -0.001 20 0 CBADMP O[C@H](Cn1cccn1)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923334549 658220266 /nfs/dbraw/zinc/22/02/66/658220266.db2.gz VWPIHPYLTQYGSA-QWHCGFSZSA-N 2 1 250.346 -0.071 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923346903 658221217 /nfs/dbraw/zinc/22/12/17/658221217.db2.gz XNPQHCCHJNXAHZ-NEPJUHHUSA-N 2 1 273.377 -0.687 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000923334721 658222950 /nfs/dbraw/zinc/22/29/50/658222950.db2.gz XZABDAMQMGMUOM-DCAQKATOSA-N 2 1 266.345 -0.451 20 0 CBADMP Cc1ccccc1OC[C@H](O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000923365282 658232336 /nfs/dbraw/zinc/23/23/36/658232336.db2.gz DTIYGBKOYVZSBU-QWHCGFSZSA-N 2 1 268.357 -0.014 20 0 CBADMP Cc1ccccc1OC[C@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000923365282 658232367 /nfs/dbraw/zinc/23/23/67/658232367.db2.gz DTIYGBKOYVZSBU-QWHCGFSZSA-N 2 1 268.357 -0.014 20 0 CBADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H](O)COc1ccccc1 ZINC000923366560 658232930 /nfs/dbraw/zinc/23/29/30/658232930.db2.gz NCSMKAANZWKXLC-VXGBXAGGSA-N 2 1 254.330 -0.322 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H](O)COc1ccccc1 ZINC000923366560 658232949 /nfs/dbraw/zinc/23/29/49/658232949.db2.gz NCSMKAANZWKXLC-VXGBXAGGSA-N 2 1 254.330 -0.322 20 0 CBADMP Cc1cccc(OC[C@H](O)C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000923367149 658233169 /nfs/dbraw/zinc/23/31/69/658233169.db2.gz SXSLDGULWBJXOJ-CHWSQXEVSA-N 2 1 268.357 -0.014 20 0 CBADMP Cc1cccc(OC[C@H](O)C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000923367149 658233190 /nfs/dbraw/zinc/23/31/90/658233190.db2.gz SXSLDGULWBJXOJ-CHWSQXEVSA-N 2 1 268.357 -0.014 20 0 CBADMP C[N@@H+](C[C@H](O)COC[C@H]1CCCO1)C1CC([NH3+])C1 ZINC000923363663 658233945 /nfs/dbraw/zinc/23/39/45/658233945.db2.gz XINMYCFVTBONLB-IFWUJCSASA-N 2 1 258.362 -0.036 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@H](O)COc1ccccc1F ZINC000923365529 658235198 /nfs/dbraw/zinc/23/51/98/658235198.db2.gz FRECFYWDKCNYOS-QWRGUYRKSA-N 2 1 272.320 -0.183 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H](O)COc1ccccc1F ZINC000923365529 658235224 /nfs/dbraw/zinc/23/52/24/658235224.db2.gz FRECFYWDKCNYOS-QWRGUYRKSA-N 2 1 272.320 -0.183 20 0 CBADMP C[N@@H+](C[C@@H](O)COc1ccccc1)C[C@@H](O)C[NH3+] ZINC000923366557 658237137 /nfs/dbraw/zinc/23/71/37/658237137.db2.gz NCSMKAANZWKXLC-NWDGAFQWSA-N 2 1 254.330 -0.322 20 0 CBADMP C[N@H+](C[C@@H](O)COc1ccccc1)C[C@@H](O)C[NH3+] ZINC000923366557 658237165 /nfs/dbraw/zinc/23/71/65/658237165.db2.gz NCSMKAANZWKXLC-NWDGAFQWSA-N 2 1 254.330 -0.322 20 0 CBADMP C[C@@H]1CN(CC[N@@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923372936 658241859 /nfs/dbraw/zinc/24/18/59/658241859.db2.gz KPMIQZBFENFURA-NDKCEZKHSA-N 2 1 271.405 -0.122 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923368746 658243532 /nfs/dbraw/zinc/24/35/32/658243532.db2.gz GOBHTOTWCOAMHJ-NEPJUHHUSA-N 2 1 261.410 -0.112 20 0 CBADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCN1C(=O)CN(C)C1=O ZINC000923369965 658243787 /nfs/dbraw/zinc/24/37/87/658243787.db2.gz NTEKJXNXYDCVIL-JFGNBEQYSA-N 2 1 268.361 -0.144 20 0 CBADMP c1cn(C[C@H]2CC[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)nn1 ZINC000923387601 658248868 /nfs/dbraw/zinc/24/88/68/658248868.db2.gz WWDXUVSJHMAPBA-QWHCGFSZSA-N 2 1 277.372 -0.022 20 0 CBADMP CNC(=O)[C@]1(COC)CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923395321 658253277 /nfs/dbraw/zinc/25/32/77/658253277.db2.gz RNGXKDLMYVWBRC-IUODEOHRSA-N 2 1 297.399 -0.408 20 0 CBADMP COCCOC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923398020 658253474 /nfs/dbraw/zinc/25/34/74/658253474.db2.gz IOZKXHZXDSAZLE-UPJWGTAASA-N 2 1 258.362 -0.177 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923398020 658253480 /nfs/dbraw/zinc/25/34/80/658253480.db2.gz IOZKXHZXDSAZLE-UPJWGTAASA-N 2 1 258.362 -0.177 20 0 CBADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394895 658255053 /nfs/dbraw/zinc/25/50/53/658255053.db2.gz NGZPTBKARQOSBC-JQWIXIFHSA-N 2 1 253.346 -0.438 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CCC[C@@H]([NH2+]CCO)C2)CC1 ZINC000923407509 658263443 /nfs/dbraw/zinc/26/34/43/658263443.db2.gz YOOXFENLWCKEDT-CQSZACIVSA-N 2 1 298.431 -0.803 20 0 CBADMP C[C@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)C[C@@H]1C[NH3+] ZINC000923411138 658265090 /nfs/dbraw/zinc/26/50/90/658265090.db2.gz LQHQVKUHPUDZNY-UWVGGRQHSA-N 2 1 254.334 -0.593 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)C[C@@H]1C[NH3+] ZINC000923411141 658267834 /nfs/dbraw/zinc/26/78/34/658267834.db2.gz LQHQVKUHPUDZNY-ZJUUUORDSA-N 2 1 254.334 -0.593 20 0 CBADMP CN1CC(=O)N(CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1=O ZINC000923414170 658271933 /nfs/dbraw/zinc/27/19/33/658271933.db2.gz JWLZNSWSUBWCOX-VXGBXAGGSA-N 2 1 280.372 -0.046 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1=O ZINC000923414170 658271945 /nfs/dbraw/zinc/27/19/45/658271945.db2.gz JWLZNSWSUBWCOX-VXGBXAGGSA-N 2 1 280.372 -0.046 20 0 CBADMP CC(C)N(C)C(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923463040 658290597 /nfs/dbraw/zinc/29/05/97/658290597.db2.gz PAUDYBAXJOWILG-GFCCVEGCSA-N 2 1 256.394 -0.264 20 0 CBADMP CN(CC(F)(F)F)C(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461124 658290732 /nfs/dbraw/zinc/29/07/32/658290732.db2.gz MDYVTFMHQHTMND-UHFFFAOYSA-N 2 1 282.310 -0.498 20 0 CBADMP CC(C)[C@H](C)NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923466581 658295178 /nfs/dbraw/zinc/29/51/78/658295178.db2.gz QMKDAOYKIDEEAF-LBPRGKRZSA-N 2 1 256.394 -0.358 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000923479338 658302985 /nfs/dbraw/zinc/30/29/85/658302985.db2.gz WHKROVYZWYHIAR-HIFRSBDPSA-N 2 1 298.431 -0.675 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000923482285 658303523 /nfs/dbraw/zinc/30/35/23/658303523.db2.gz YGNCOEYFXMMMDC-NWDGAFQWSA-N 2 1 283.372 -0.179 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@@H]1C[NH3+] ZINC000923498673 658306215 /nfs/dbraw/zinc/30/62/15/658306215.db2.gz KPQDLGLSPCQNLY-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1)C(=O)N(C)C ZINC000923493634 658306669 /nfs/dbraw/zinc/30/66/69/658306669.db2.gz UJDNWMDKFLTBCP-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923502869 658309732 /nfs/dbraw/zinc/30/97/32/658309732.db2.gz ZOANEKYRSMJFNA-OLZOCXBDSA-N 3 1 268.405 -0.275 20 0 CBADMP C[C@@H]1C[N@H+](CCC(=O)N2CCNCC2)CC[C@H]1C[NH3+] ZINC000923502869 658309746 /nfs/dbraw/zinc/30/97/46/658309746.db2.gz ZOANEKYRSMJFNA-OLZOCXBDSA-N 2 1 268.405 -0.275 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CCNCC2)CC[C@H]1C[NH3+] ZINC000923502869 658309753 /nfs/dbraw/zinc/30/97/53/658309753.db2.gz ZOANEKYRSMJFNA-OLZOCXBDSA-N 2 1 268.405 -0.275 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923502871 658310909 /nfs/dbraw/zinc/31/09/09/658310909.db2.gz ZOANEKYRSMJFNA-STQMWFEESA-N 3 1 268.405 -0.275 20 0 CBADMP C[C@H]1C[N@H+](CCC(=O)N2CCNCC2)CC[C@H]1C[NH3+] ZINC000923502871 658310925 /nfs/dbraw/zinc/31/09/25/658310925.db2.gz ZOANEKYRSMJFNA-STQMWFEESA-N 2 1 268.405 -0.275 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CCNCC2)CC[C@H]1C[NH3+] ZINC000923502871 658310934 /nfs/dbraw/zinc/31/09/34/658310934.db2.gz ZOANEKYRSMJFNA-STQMWFEESA-N 2 1 268.405 -0.275 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000923518288 658313800 /nfs/dbraw/zinc/31/38/00/658313800.db2.gz CJNAQYFVBIFMGP-UONOGXRCSA-N 2 1 280.416 -0.308 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000923518288 658313817 /nfs/dbraw/zinc/31/38/17/658313817.db2.gz CJNAQYFVBIFMGP-UONOGXRCSA-N 3 1 280.416 -0.308 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000923518288 658313829 /nfs/dbraw/zinc/31/38/29/658313829.db2.gz CJNAQYFVBIFMGP-UONOGXRCSA-N 3 1 280.416 -0.308 20 0 CBADMP COC[C@@H]1COCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000923556953 658321427 /nfs/dbraw/zinc/32/14/27/658321427.db2.gz HLABSQICFIUHKM-NEPJUHHUSA-N 2 1 256.346 -0.145 20 0 CBADMP COC[C@@H]1COCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000923556953 658321440 /nfs/dbraw/zinc/32/14/40/658321440.db2.gz HLABSQICFIUHKM-NEPJUHHUSA-N 2 1 256.346 -0.145 20 0 CBADMP COC[C@H]1COCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000923556955 658323319 /nfs/dbraw/zinc/32/33/19/658323319.db2.gz HLABSQICFIUHKM-RYUDHWBXSA-N 2 1 256.346 -0.145 20 0 CBADMP COC[C@H]1COCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000923556955 658323333 /nfs/dbraw/zinc/32/33/33/658323333.db2.gz HLABSQICFIUHKM-RYUDHWBXSA-N 2 1 256.346 -0.145 20 0 CBADMP C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000923568206 658331824 /nfs/dbraw/zinc/33/18/24/658331824.db2.gz FTIIFJCRNCZLJX-MXWKQRLJSA-N 2 1 261.391 -0.250 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923588711 658342121 /nfs/dbraw/zinc/34/21/21/658342121.db2.gz HXAWSTZFNUJRMY-JTQLQIEISA-N 2 1 261.391 -0.391 20 0 CBADMP CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)C1C[NH2+]C1 ZINC000923610190 658349423 /nfs/dbraw/zinc/34/94/23/658349423.db2.gz NBAFLMPZPJORAC-SNVBAGLBSA-N 2 1 259.375 -0.544 20 0 CBADMP O=S(=O)(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CC[NH2+]CC1 ZINC000923607976 658350591 /nfs/dbraw/zinc/35/05/91/658350591.db2.gz FXNVGDLOVMWUTG-LBPRGKRZSA-N 2 1 288.417 -0.790 20 0 CBADMP O=S(=O)(NC[C@H]1CCC[N@@H+](CC2CC2)C1)C1C[NH2+]C1 ZINC000923658751 658384308 /nfs/dbraw/zinc/38/43/08/658384308.db2.gz INMNPDDWNKBJOZ-GFCCVEGCSA-N 2 1 287.429 0.000 20 0 CBADMP COCC[N@@H+](C)CCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924567253 658613762 /nfs/dbraw/zinc/61/37/62/658613762.db2.gz KJCQDFKPQJCMIM-SNVBAGLBSA-N 2 1 272.349 -0.953 20 0 CBADMP C[C@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)C[NH+]1CCOCC1 ZINC000924555738 658617055 /nfs/dbraw/zinc/61/70/55/658617055.db2.gz JIZLWVSDZPCNNY-RYUDHWBXSA-N 2 1 298.387 -0.563 20 0 CBADMP COCC[N@H+]1CC[C@@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000924598143 658619580 /nfs/dbraw/zinc/61/95/80/658619580.db2.gz DFGKXOSOPCLKAS-MNOVXSKESA-N 2 1 284.360 -0.811 20 0 CBADMP C[NH+](C)C[C@H]1NC(=O)N([C@H]2CC[N@@H+](CC3CC3)C2)C1=O ZINC000924592503 658620057 /nfs/dbraw/zinc/62/00/57/658620057.db2.gz RSCHYGDMOZDKED-NWDGAFQWSA-N 2 1 280.372 -0.047 20 0 CBADMP COCC[N@@H+](C)CCCN[C@H]1C(=O)NCC12CCOCC2 ZINC000924654954 658628045 /nfs/dbraw/zinc/62/80/45/658628045.db2.gz XIBMYSVHSIAFLO-ZDUSSCGKSA-N 2 1 299.415 -0.161 20 0 CBADMP COCCN(C)CCC[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000924654954 658628055 /nfs/dbraw/zinc/62/80/55/658628055.db2.gz XIBMYSVHSIAFLO-ZDUSSCGKSA-N 2 1 299.415 -0.161 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CN3C[C@@H]2CCC3)CC1 ZINC000924945622 658669138 /nfs/dbraw/zinc/66/91/38/658669138.db2.gz JANPMFQPENGAJN-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP O=C(NC[C@H]1C[N@H+](CCCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958591797 658670095 /nfs/dbraw/zinc/67/00/95/658670095.db2.gz JALSZSWGSVIKIM-QWHCGFSZSA-N 2 1 299.390 -0.149 20 0 CBADMP O=C(NC[C@@H]1C[N@H+](CCCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958591795 658670253 /nfs/dbraw/zinc/67/02/53/658670253.db2.gz JALSZSWGSVIKIM-CHWSQXEVSA-N 2 1 299.390 -0.149 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2C)CCC1 ZINC000924979019 658684665 /nfs/dbraw/zinc/68/46/65/658684665.db2.gz CXRUXWZYADYUFH-WDEREUQCSA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000924980499 658692153 /nfs/dbraw/zinc/69/21/53/658692153.db2.gz GJTSSOZMVTUBFN-QWHCGFSZSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000924980497 658692166 /nfs/dbraw/zinc/69/21/66/658692166.db2.gz GJTSSOZMVTUBFN-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@H+]1CC[C@@H]1CN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000925098796 658805976 /nfs/dbraw/zinc/80/59/76/658805976.db2.gz VGCXNUMGXOULRB-ZJUUUORDSA-N 2 1 254.334 -0.437 20 0 CBADMP C[NH+](C)C[C@@H]1NC(=O)N(C[C@H]2CCC[N@H+]2C)C1=O ZINC000925288045 658816561 /nfs/dbraw/zinc/81/65/61/658816561.db2.gz BGUPODHBWRYEON-ZJUUUORDSA-N 2 1 254.334 -0.437 20 0 CBADMP C[NH+](C)C[C@H]1NC(=O)N([C@H]2CCC[N@@H+](C)C2)C1=O ZINC000925298810 658817774 /nfs/dbraw/zinc/81/77/74/658817774.db2.gz PWJFDYMOUDLOOE-VHSXEESVSA-N 2 1 254.334 -0.437 20 0 CBADMP 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 658826082 /nfs/dbraw/zinc/82/60/82/658826082.db2.gz WSFRAQXTOPIDFJ-QSLWVIQJSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CC[NH+]1C ZINC000961602074 658826087 /nfs/dbraw/zinc/82/60/87/658826087.db2.gz WSFRAQXTOPIDFJ-QSLWVIQJSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CC[NH+]1C ZINC000961602074 658826091 /nfs/dbraw/zinc/82/60/91/658826091.db2.gz WSFRAQXTOPIDFJ-QSLWVIQJSA-N 2 1 281.400 -0.245 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000925396602 658838169 /nfs/dbraw/zinc/83/81/69/658838169.db2.gz AQXHEQPWGUOBKR-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000925396600 658838364 /nfs/dbraw/zinc/83/83/64/658838364.db2.gz AQXHEQPWGUOBKR-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000925408052 658840497 /nfs/dbraw/zinc/84/04/97/658840497.db2.gz NXXDHTFCCVREIX-MGPQQGTHSA-N 2 1 296.415 -0.069 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H]1CC[NH+]1C ZINC000925415006 658842278 /nfs/dbraw/zinc/84/22/78/658842278.db2.gz QFRFYNQVAUAFDE-LLVKDONJSA-N 2 1 258.366 -0.696 20 0 CBADMP CC[NH+](CCO)CCNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925415006 658842279 /nfs/dbraw/zinc/84/22/79/658842279.db2.gz QFRFYNQVAUAFDE-LLVKDONJSA-N 2 1 258.366 -0.696 20 0 CBADMP CC[NH+](CCO)CCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000925415006 658842281 /nfs/dbraw/zinc/84/22/81/658842281.db2.gz QFRFYNQVAUAFDE-LLVKDONJSA-N 2 1 258.366 -0.696 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000925424157 658845145 /nfs/dbraw/zinc/84/51/45/658845145.db2.gz KUPCNEAXACTCND-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000925424157 658845148 /nfs/dbraw/zinc/84/51/48/658845148.db2.gz KUPCNEAXACTCND-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000925424157 658845152 /nfs/dbraw/zinc/84/51/52/658845152.db2.gz KUPCNEAXACTCND-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000925424511 658846452 /nfs/dbraw/zinc/84/64/52/658846452.db2.gz MGCKHMRJDDZEHS-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000925424511 658846454 /nfs/dbraw/zinc/84/64/54/658846454.db2.gz MGCKHMRJDDZEHS-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000925424511 658846457 /nfs/dbraw/zinc/84/64/57/658846457.db2.gz MGCKHMRJDDZEHS-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000925428670 658849051 /nfs/dbraw/zinc/84/90/51/658849051.db2.gz DISSLZPDOXFFTH-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000925428670 658849053 /nfs/dbraw/zinc/84/90/53/658849053.db2.gz DISSLZPDOXFFTH-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000925428670 658849058 /nfs/dbraw/zinc/84/90/58/658849058.db2.gz DISSLZPDOXFFTH-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000925429028 658850060 /nfs/dbraw/zinc/85/00/60/658850060.db2.gz ILHBOGUHHRNIIN-GRYCIOLGSA-N 2 1 268.361 -0.849 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000925429028 658850063 /nfs/dbraw/zinc/85/00/63/658850063.db2.gz ILHBOGUHHRNIIN-GRYCIOLGSA-N 2 1 268.361 -0.849 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000925429028 658850066 /nfs/dbraw/zinc/85/00/66/658850066.db2.gz ILHBOGUHHRNIIN-GRYCIOLGSA-N 2 1 268.361 -0.849 20 0 CBADMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CNCCOC1 ZINC000925542840 658858333 /nfs/dbraw/zinc/85/83/33/658858333.db2.gz QSURWYMEJCJZDR-OLZOCXBDSA-N 2 1 259.394 -0.079 20 0 CBADMP CN1CCC[N@@H+](CCCN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925608832 658861870 /nfs/dbraw/zinc/86/18/70/658861870.db2.gz KNFFGWWULBLZLE-CQSZACIVSA-N 2 1 270.421 -0.408 20 0 CBADMP C[N@@H+]1CCCN(CCCN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925608832 658861878 /nfs/dbraw/zinc/86/18/78/658861878.db2.gz KNFFGWWULBLZLE-CQSZACIVSA-N 2 1 270.421 -0.408 20 0 CBADMP C[N@H+]1CCCN(CCCN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925608832 658861882 /nfs/dbraw/zinc/86/18/82/658861882.db2.gz KNFFGWWULBLZLE-CQSZACIVSA-N 2 1 270.421 -0.408 20 0 CBADMP [NH3+][C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C12CCC2 ZINC000925693773 658865509 /nfs/dbraw/zinc/86/55/09/658865509.db2.gz RQQKDUFNBIIJEM-QWRGUYRKSA-N 3 1 252.362 -0.722 20 0 CBADMP C(CN1CC[NH2+]CC1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925687725 658865612 /nfs/dbraw/zinc/86/56/12/658865612.db2.gz AHZLDBKYLMFVFL-QSLWVIQJSA-N 3 1 250.390 -0.522 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000925688786 658865829 /nfs/dbraw/zinc/86/58/29/658865829.db2.gz FQCQCPNLMWMGCT-WDEREUQCSA-N 2 1 280.376 -0.113 20 0 CBADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000925688783 658866020 /nfs/dbraw/zinc/86/60/20/658866020.db2.gz FQCQCPNLMWMGCT-GHMZBOCLSA-N 2 1 280.376 -0.113 20 0 CBADMP 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 658867841 /nfs/dbraw/zinc/86/78/41/658867841.db2.gz TZYVLVIKNFDFLI-VPCRRHSYSA-N 2 1 251.374 -0.361 20 0 CBADMP CC(C)(C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)CS(N)(=O)=O ZINC000925727765 658869105 /nfs/dbraw/zinc/86/91/05/658869105.db2.gz ROLKAKFMOUGYQQ-NGDQXYMTSA-N 2 1 287.429 -0.113 20 0 CBADMP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925725512 658869226 /nfs/dbraw/zinc/86/92/26/658869226.db2.gz LMOVHQSQFVNTAA-MMWGEVLESA-N 2 1 283.372 -0.088 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000926295992 658891283 /nfs/dbraw/zinc/89/12/83/658891283.db2.gz SPMFFYYFCOQTQE-CYBMUJFWSA-N 2 1 296.415 -0.262 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH3+] ZINC000926331637 658892703 /nfs/dbraw/zinc/89/27/03/658892703.db2.gz HKOAHRTZHFPTLM-GRYCIOLGSA-N 2 1 282.388 -0.798 20 0 CBADMP 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 658895376 /nfs/dbraw/zinc/89/53/76/658895376.db2.gz KYWYUHYIOTYPAS-LPWJVIDDSA-N 2 1 296.415 -0.409 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926384045 658897488 /nfs/dbraw/zinc/89/74/88/658897488.db2.gz YRSWSCMHEBCLIU-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000926445235 658901413 /nfs/dbraw/zinc/90/14/13/658901413.db2.gz WNYOBPOOVDSNLO-CYBMUJFWSA-N 2 1 298.431 -0.018 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000926445235 658901400 /nfs/dbraw/zinc/90/14/00/658901400.db2.gz WNYOBPOOVDSNLO-CYBMUJFWSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)Cn1ccnc1 ZINC000968702673 658939288 /nfs/dbraw/zinc/93/92/88/658939288.db2.gz OFNLLQLANKKJMT-NEPJUHHUSA-N 2 1 266.345 -0.298 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000969950444 659025153 /nfs/dbraw/zinc/02/51/53/659025153.db2.gz IEAUDZSGOPOCLK-WDEREUQCSA-N 2 1 268.361 -0.854 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)C2 ZINC000969962991 659025442 /nfs/dbraw/zinc/02/54/42/659025442.db2.gz QOQCHOJSRYTBSV-CHWSQXEVSA-N 2 1 292.383 -0.063 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](CCO)C1 ZINC000969968406 659026459 /nfs/dbraw/zinc/02/64/59/659026459.db2.gz ITQPJKBACNFLPY-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928559532 659043182 /nfs/dbraw/zinc/04/31/82/659043182.db2.gz ZLKKVGGVMKSWBY-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000970273614 659043488 /nfs/dbraw/zinc/04/34/88/659043488.db2.gz TUNXPYOWULNPDD-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000970273968 659043950 /nfs/dbraw/zinc/04/39/50/659043950.db2.gz WCMWRZHURMVFPC-GFCCVEGCSA-N 2 1 273.352 -0.131 20 0 CBADMP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000970273615 659044490 /nfs/dbraw/zinc/04/44/90/659044490.db2.gz TUNXPYOWULNPDD-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000928571557 659048640 /nfs/dbraw/zinc/04/86/40/659048640.db2.gz OXEKVFNJOJZIOV-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000928571557 659048644 /nfs/dbraw/zinc/04/86/44/659048644.db2.gz OXEKVFNJOJZIOV-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000928571557 659048646 /nfs/dbraw/zinc/04/86/46/659048646.db2.gz OXEKVFNJOJZIOV-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC000970724627 659069461 /nfs/dbraw/zinc/06/94/61/659069461.db2.gz SLSPGTLJTLTUKP-MWLCHTKSSA-N 2 1 279.344 -0.744 20 0 CBADMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970747280 659069519 /nfs/dbraw/zinc/06/95/19/659069519.db2.gz UWQXIWHGQRUUIQ-MNOVXSKESA-N 2 1 294.399 -0.608 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC000970723575 659069574 /nfs/dbraw/zinc/06/95/74/659069574.db2.gz CDCHBJAYWOMEPR-CMPLNLGQSA-N 2 1 266.345 -0.237 20 0 CBADMP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC000970718917 659069900 /nfs/dbraw/zinc/06/99/00/659069900.db2.gz YCCXFLHLBDSTJG-GFCCVEGCSA-N 2 1 292.387 -0.399 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000929167633 659096386 /nfs/dbraw/zinc/09/63/86/659096386.db2.gz DECIJUJBCZBKKS-ZDUSSCGKSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000929167633 659096393 /nfs/dbraw/zinc/09/63/93/659096393.db2.gz DECIJUJBCZBKKS-ZDUSSCGKSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000929170105 659097407 /nfs/dbraw/zinc/09/74/07/659097407.db2.gz DDGZBANLZWWWOC-NSHDSACASA-N 2 1 268.361 -0.983 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000929170105 659097411 /nfs/dbraw/zinc/09/74/11/659097411.db2.gz DDGZBANLZWWWOC-NSHDSACASA-N 2 1 268.361 -0.983 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(N)=O)C2)CC[N@@H+]1C ZINC000972174815 659107461 /nfs/dbraw/zinc/10/74/61/659107461.db2.gz AFCVYJDJITVCQX-AVGNSLFASA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(N)=O)C2)CC[N@H+]1C ZINC000972174815 659107465 /nfs/dbraw/zinc/10/74/65/659107465.db2.gz AFCVYJDJITVCQX-AVGNSLFASA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000972174815 659107468 /nfs/dbraw/zinc/10/74/68/659107468.db2.gz AFCVYJDJITVCQX-AVGNSLFASA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000972174815 659107469 /nfs/dbraw/zinc/10/74/69/659107469.db2.gz AFCVYJDJITVCQX-AVGNSLFASA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+](C)CC(N)=O)C2)C1 ZINC000972332123 659114648 /nfs/dbraw/zinc/11/46/48/659114648.db2.gz AWYAYJIJJJCJTG-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH+](C)CC(N)=O)C2)C1 ZINC000972332123 659114653 /nfs/dbraw/zinc/11/46/53/659114653.db2.gz AWYAYJIJJJCJTG-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)C1 ZINC000972332123 659114655 /nfs/dbraw/zinc/11/46/55/659114655.db2.gz AWYAYJIJJJCJTG-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC000972332123 659114657 /nfs/dbraw/zinc/11/46/57/659114657.db2.gz AWYAYJIJJJCJTG-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH+](C)CCO)C1 ZINC000972333877 659116991 /nfs/dbraw/zinc/11/69/91/659116991.db2.gz YGMNYGBAJOSLDS-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000972333877 659116998 /nfs/dbraw/zinc/11/69/98/659116998.db2.gz YGMNYGBAJOSLDS-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000972333877 659117002 /nfs/dbraw/zinc/11/70/02/659117002.db2.gz YGMNYGBAJOSLDS-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000929405753 659121329 /nfs/dbraw/zinc/12/13/29/659121329.db2.gz VOOMDSGAXNVATK-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000929405753 659121340 /nfs/dbraw/zinc/12/13/40/659121340.db2.gz VOOMDSGAXNVATK-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972673903 659124680 /nfs/dbraw/zinc/12/46/80/659124680.db2.gz LRZLIDXWFZAJNY-OAHLLOKOSA-N 2 1 297.399 -0.622 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972673903 659124684 /nfs/dbraw/zinc/12/46/84/659124684.db2.gz LRZLIDXWFZAJNY-OAHLLOKOSA-N 2 1 297.399 -0.622 20 0 CBADMP C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972735226 659126736 /nfs/dbraw/zinc/12/67/36/659126736.db2.gz KHZUSSQNFVDYGI-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H](CNC(=O)C[N@H+](C)C[C@H](C)O)[NH+](C)C[C@H](C)O ZINC000929706838 659162082 /nfs/dbraw/zinc/16/20/82/659162082.db2.gz SPDHNXVYSWKHNO-WOPDTQHZSA-N 2 1 275.393 -0.884 20 0 CBADMP C[C@H](CNC(=O)C[NH+](C)C[C@H](C)O)[N@H+](C)C[C@H](C)O ZINC000929706838 659162087 /nfs/dbraw/zinc/16/20/87/659162087.db2.gz SPDHNXVYSWKHNO-WOPDTQHZSA-N 2 1 275.393 -0.884 20 0 CBADMP C[C@H](CNC(=O)C[NH+](C)C[C@H](C)O)[N@@H+](C)C[C@H](C)O ZINC000929706838 659162090 /nfs/dbraw/zinc/16/20/90/659162090.db2.gz SPDHNXVYSWKHNO-WOPDTQHZSA-N 2 1 275.393 -0.884 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[NH+](C)C1CC1 ZINC000929957229 659188061 /nfs/dbraw/zinc/18/80/61/659188061.db2.gz OYSPTNHAPSXPJJ-ZYHUDNBSSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)[NH+](C)C1CC1 ZINC000929957229 659188070 /nfs/dbraw/zinc/18/80/70/659188070.db2.gz OYSPTNHAPSXPJJ-ZYHUDNBSSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1C)[N@H+](C)C1CC1 ZINC000929957229 659188076 /nfs/dbraw/zinc/18/80/76/659188076.db2.gz OYSPTNHAPSXPJJ-ZYHUDNBSSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1C)[N@@H+](C)C1CC1 ZINC000929957229 659188078 /nfs/dbraw/zinc/18/80/78/659188078.db2.gz OYSPTNHAPSXPJJ-ZYHUDNBSSA-N 2 1 282.388 -0.594 20 0 CBADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)CO)CC2)CC1 ZINC000929971878 659189025 /nfs/dbraw/zinc/18/90/25/659189025.db2.gz NVRUWLQKMJZUBI-AWEZNQCLSA-N 2 1 299.415 -0.784 20 0 CBADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)C3(O)CCC3)CC2)C1 ZINC000929980435 659189394 /nfs/dbraw/zinc/18/93/94/659189394.db2.gz KISYZHYFUIVELP-LSDHHAIUSA-N 2 1 297.443 -0.026 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2C[C@H](O)CO ZINC000930059292 659201671 /nfs/dbraw/zinc/20/16/71/659201671.db2.gz CLHGNRTZPAETPE-MROQNXINSA-N 2 1 258.362 -0.477 20 0 CBADMP C[C@H](O)[C@@H](O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000930113123 659209933 /nfs/dbraw/zinc/20/99/33/659209933.db2.gz CNIJVIFUTJCZCA-JSGCOSHPSA-N 2 1 273.421 -0.314 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC[N@@H+]1C ZINC000930146643 659220580 /nfs/dbraw/zinc/22/05/80/659220580.db2.gz VVUYTAHVTXZLGX-WOPDTQHZSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC[N@H+]1C ZINC000930146643 659220597 /nfs/dbraw/zinc/22/05/97/659220597.db2.gz VVUYTAHVTXZLGX-WOPDTQHZSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC[NH+]1C ZINC000930146643 659220608 /nfs/dbraw/zinc/22/06/08/659220608.db2.gz VVUYTAHVTXZLGX-WOPDTQHZSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC[NH+]1C ZINC000930146643 659220620 /nfs/dbraw/zinc/22/06/20/659220620.db2.gz VVUYTAHVTXZLGX-WOPDTQHZSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[C@@H](CO)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000930168386 659231100 /nfs/dbraw/zinc/23/11/00/659231100.db2.gz NZTRFHBDYNCJME-ZDUSSCGKSA-N 2 1 272.389 -0.084 20 0 CBADMP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000930297033 659251762 /nfs/dbraw/zinc/25/17/62/659251762.db2.gz VHXQJJKJWUHQLK-LLVKDONJSA-N 2 1 267.329 -0.435 20 0 CBADMP C[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980833819 659293887 /nfs/dbraw/zinc/29/38/87/659293887.db2.gz KVVFMBNMPVGQNN-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000980833819 659293898 /nfs/dbraw/zinc/29/38/98/659293898.db2.gz KVVFMBNMPVGQNN-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000980833819 659293910 /nfs/dbraw/zinc/29/39/10/659293910.db2.gz KVVFMBNMPVGQNN-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CCO)CC2)CC[N@H+]1C ZINC000981196450 659310291 /nfs/dbraw/zinc/31/02/91/659310291.db2.gz FKYVNXUVEIJSFK-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CCO)CC2)CC[NH+]1C ZINC000981196450 659310296 /nfs/dbraw/zinc/31/02/96/659310296.db2.gz FKYVNXUVEIJSFK-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CCO)CC2)CC[NH+]1C ZINC000981196450 659310301 /nfs/dbraw/zinc/31/03/01/659310301.db2.gz FKYVNXUVEIJSFK-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CNC(=O)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000930748675 659336677 /nfs/dbraw/zinc/33/66/77/659336677.db2.gz ZCWWIHVUNMUGLN-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC[NH+](CCO)CC1 ZINC000981958586 659337359 /nfs/dbraw/zinc/33/73/59/659337359.db2.gz GAUHXXOVIJLLNY-OLZOCXBDSA-N 2 1 269.389 -0.289 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC[N@H+](CCO)CC1 ZINC000981958586 659337363 /nfs/dbraw/zinc/33/73/63/659337363.db2.gz GAUHXXOVIJLLNY-OLZOCXBDSA-N 2 1 269.389 -0.289 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC[N@@H+](CCO)CC1 ZINC000981958586 659337367 /nfs/dbraw/zinc/33/73/67/659337367.db2.gz GAUHXXOVIJLLNY-OLZOCXBDSA-N 2 1 269.389 -0.289 20 0 CBADMP C[NH+](C)C1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000930883394 659359018 /nfs/dbraw/zinc/35/90/18/659359018.db2.gz XSJCDDAZNFDHRU-WXRRBKDZSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)C1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000930883394 659359025 /nfs/dbraw/zinc/35/90/25/659359025.db2.gz XSJCDDAZNFDHRU-WXRRBKDZSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000930949792 659366973 /nfs/dbraw/zinc/36/69/73/659366973.db2.gz SICJGPZTTCJWTK-UTUOFQBUSA-N 2 1 282.388 -0.737 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000930949792 659366982 /nfs/dbraw/zinc/36/69/82/659366982.db2.gz SICJGPZTTCJWTK-UTUOFQBUSA-N 2 1 282.388 -0.737 20 0 CBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931018253 659374187 /nfs/dbraw/zinc/37/41/87/659374187.db2.gz LRIZUWGQCREIKU-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931018253 659374192 /nfs/dbraw/zinc/37/41/92/659374192.db2.gz LRIZUWGQCREIKU-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931018253 659374199 /nfs/dbraw/zinc/37/41/99/659374199.db2.gz LRIZUWGQCREIKU-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931018253 659374207 /nfs/dbraw/zinc/37/42/07/659374207.db2.gz LRIZUWGQCREIKU-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985333116 659381367 /nfs/dbraw/zinc/38/13/67/659381367.db2.gz XRQRAZPYGFDRCC-WCQYABFASA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000985333116 659381380 /nfs/dbraw/zinc/38/13/80/659381380.db2.gz XRQRAZPYGFDRCC-WCQYABFASA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000985333116 659381387 /nfs/dbraw/zinc/38/13/87/659381387.db2.gz XRQRAZPYGFDRCC-WCQYABFASA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[C@H](C(=O)N1CCC([N@@H+](C)CC(N)=O)CC1)[NH+](C)C ZINC000985640422 659395631 /nfs/dbraw/zinc/39/56/31/659395631.db2.gz ZQRHZIUFDMNRSA-CQSZACIVSA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000985794261 659399492 /nfs/dbraw/zinc/39/94/92/659399492.db2.gz ZROWHIOJNKJPAK-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985794261 659399502 /nfs/dbraw/zinc/39/95/02/659399502.db2.gz ZROWHIOJNKJPAK-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985794261 659399507 /nfs/dbraw/zinc/39/95/07/659399507.db2.gz ZROWHIOJNKJPAK-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000986459983 659452835 /nfs/dbraw/zinc/45/28/35/659452835.db2.gz DPPKUSXDBFBBNI-CMPLNLGQSA-N 2 1 296.371 -0.079 20 0 CBADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)C[C@@]3(O)CCOC3)CC[C@@H]21 ZINC000931545845 659484122 /nfs/dbraw/zinc/48/41/22/659484122.db2.gz HHZCPTVMKYPLJW-KBXIAJHMSA-N 2 1 284.400 -0.085 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)C[C@@]3(O)CCOC3)CC[C@@H]21 ZINC000931545845 659484133 /nfs/dbraw/zinc/48/41/33/659484133.db2.gz HHZCPTVMKYPLJW-KBXIAJHMSA-N 2 1 284.400 -0.085 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)C[C@@]3(O)CCOC3)CC[C@@H]21 ZINC000931545845 659484136 /nfs/dbraw/zinc/48/41/36/659484136.db2.gz HHZCPTVMKYPLJW-KBXIAJHMSA-N 2 1 284.400 -0.085 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)C[C@@]3(O)CCOC3)CC[C@@H]21 ZINC000931545845 659484145 /nfs/dbraw/zinc/48/41/45/659484145.db2.gz HHZCPTVMKYPLJW-KBXIAJHMSA-N 2 1 284.400 -0.085 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC000931627149 659492959 /nfs/dbraw/zinc/49/29/59/659492959.db2.gz LEESFGMWHNCRIW-UHFFFAOYSA-N 2 1 287.404 -0.208 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H]1C ZINC000987531096 659510670 /nfs/dbraw/zinc/51/06/70/659510670.db2.gz KEWYZJRPJNVFNF-KOLCDFICSA-N 2 1 279.344 -0.744 20 0 CBADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931878671 659537771 /nfs/dbraw/zinc/53/77/71/659537771.db2.gz SLAZZPJQBAKBCX-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931878671 659537774 /nfs/dbraw/zinc/53/77/74/659537774.db2.gz SLAZZPJQBAKBCX-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931878686 659537968 /nfs/dbraw/zinc/53/79/68/659537968.db2.gz JZZAMBBKQIIDOB-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931878686 659537973 /nfs/dbraw/zinc/53/79/73/659537973.db2.gz JZZAMBBKQIIDOB-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931878686 659537983 /nfs/dbraw/zinc/53/79/83/659537983.db2.gz JZZAMBBKQIIDOB-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931878686 659537994 /nfs/dbraw/zinc/53/79/94/659537994.db2.gz JZZAMBBKQIIDOB-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931876632 659538130 /nfs/dbraw/zinc/53/81/30/659538130.db2.gz MURWJXVDTIHECQ-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931876632 659538140 /nfs/dbraw/zinc/53/81/40/659538140.db2.gz MURWJXVDTIHECQ-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931876632 659538150 /nfs/dbraw/zinc/53/81/50/659538150.db2.gz MURWJXVDTIHECQ-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931876632 659538159 /nfs/dbraw/zinc/53/81/59/659538159.db2.gz MURWJXVDTIHECQ-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC[N@@H+]1C ZINC000931880006 659542918 /nfs/dbraw/zinc/54/29/18/659542918.db2.gz ZIQVHAWOWRZDQG-AGIUHOORSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC[N@H+]1C ZINC000931880006 659542927 /nfs/dbraw/zinc/54/29/27/659542927.db2.gz ZIQVHAWOWRZDQG-AGIUHOORSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC[NH+]1C ZINC000931880006 659542936 /nfs/dbraw/zinc/54/29/36/659542936.db2.gz ZIQVHAWOWRZDQG-AGIUHOORSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC[NH+]1C ZINC000931880006 659542943 /nfs/dbraw/zinc/54/29/43/659542943.db2.gz ZIQVHAWOWRZDQG-AGIUHOORSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931882056 659543584 /nfs/dbraw/zinc/54/35/84/659543584.db2.gz ZEDWCJXHCRNDKM-AGIUHOORSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931882056 659543590 /nfs/dbraw/zinc/54/35/90/659543590.db2.gz ZEDWCJXHCRNDKM-AGIUHOORSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931882056 659543595 /nfs/dbraw/zinc/54/35/95/659543595.db2.gz ZEDWCJXHCRNDKM-AGIUHOORSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931882056 659543609 /nfs/dbraw/zinc/54/36/09/659543609.db2.gz ZEDWCJXHCRNDKM-AGIUHOORSA-N 2 1 296.415 -0.395 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1CCN1C ZINC000931885447 659550648 /nfs/dbraw/zinc/55/06/48/659550648.db2.gz YNYUZGDQUSDTNN-GFCCVEGCSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931885447 659550663 /nfs/dbraw/zinc/55/06/63/659550663.db2.gz YNYUZGDQUSDTNN-GFCCVEGCSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931885447 659550674 /nfs/dbraw/zinc/55/06/74/659550674.db2.gz YNYUZGDQUSDTNN-GFCCVEGCSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931885447 659550682 /nfs/dbraw/zinc/55/06/82/659550682.db2.gz YNYUZGDQUSDTNN-GFCCVEGCSA-N 2 1 282.388 -0.641 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@H]1CC[N@H+](CC)C1 ZINC000931886011 659551897 /nfs/dbraw/zinc/55/18/97/659551897.db2.gz IRJWRJFBYRWNCL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000931886011 659551902 /nfs/dbraw/zinc/55/19/02/659551902.db2.gz IRJWRJFBYRWNCL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[C@H]1CC[NH+](CC)C1 ZINC000931886011 659551913 /nfs/dbraw/zinc/55/19/13/659551913.db2.gz IRJWRJFBYRWNCL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C)[C@H]1CC[NH+](CC)C1 ZINC000931886011 659551922 /nfs/dbraw/zinc/55/19/22/659551922.db2.gz IRJWRJFBYRWNCL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988968275 659562876 /nfs/dbraw/zinc/56/28/76/659562876.db2.gz RRKZAQDWBWXVCD-GHMZBOCLSA-N 2 1 282.388 -0.465 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]CCO)C[C@H]1C ZINC000989174822 659573832 /nfs/dbraw/zinc/57/38/32/659573832.db2.gz BYKUUIIXKQFFGH-PWSUYJOCSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC000989177073 659573883 /nfs/dbraw/zinc/57/38/83/659573883.db2.gz MBSJGUROOJKOIG-GXSJLCMTSA-N 2 1 279.344 -0.744 20 0 CBADMP C[C@@H](O)C[N@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989490601 659589445 /nfs/dbraw/zinc/58/94/45/659589445.db2.gz CXPKOAZTDPYXLI-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CCO)C[C@H]1C ZINC000989800066 659615204 /nfs/dbraw/zinc/61/52/04/659615204.db2.gz PMYUORRTNQWPIP-PWSUYJOCSA-N 2 1 266.345 -0.237 20 0 CBADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC000990245396 659704963 /nfs/dbraw/zinc/70/49/63/659704963.db2.gz WLHVBFNCOXCBPG-CMPLNLGQSA-N 2 1 282.388 -0.465 20 0 CBADMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000933741849 659736772 /nfs/dbraw/zinc/73/67/72/659736772.db2.gz JKCWTCXSDITFLM-SKDRFNHKSA-N 2 1 254.334 -0.545 20 0 CBADMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000933741849 659736783 /nfs/dbraw/zinc/73/67/83/659736783.db2.gz JKCWTCXSDITFLM-SKDRFNHKSA-N 2 1 254.334 -0.545 20 0 CBADMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000933741849 659736788 /nfs/dbraw/zinc/73/67/88/659736788.db2.gz JKCWTCXSDITFLM-SKDRFNHKSA-N 2 1 254.334 -0.545 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000990526409 659756933 /nfs/dbraw/zinc/75/69/33/659756933.db2.gz RJDLJJWGOXQGJG-YPMHNXCESA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000990526409 659756936 /nfs/dbraw/zinc/75/69/36/659756936.db2.gz RJDLJJWGOXQGJG-YPMHNXCESA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000990526409 659756943 /nfs/dbraw/zinc/75/69/43/659756943.db2.gz RJDLJJWGOXQGJG-YPMHNXCESA-N 2 1 294.399 -0.641 20 0 CBADMP OCC[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H](O)C[NH+]1CCCC1 ZINC000934257060 659794070 /nfs/dbraw/zinc/79/40/70/659794070.db2.gz GAAMHZSHLJZISI-OAGGEKHMSA-N 2 1 297.443 -0.026 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000934270007 659797293 /nfs/dbraw/zinc/79/72/93/659797293.db2.gz SDYUQCKTKPHAGD-KKUMJFAQSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934270007 659797303 /nfs/dbraw/zinc/79/73/03/659797303.db2.gz SDYUQCKTKPHAGD-KKUMJFAQSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934270007 659797315 /nfs/dbraw/zinc/79/73/15/659797315.db2.gz SDYUQCKTKPHAGD-KKUMJFAQSA-N 2 1 285.432 -0.170 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000991723017 659842910 /nfs/dbraw/zinc/84/29/10/659842910.db2.gz RDWLIGBQBMZDOA-LBPRGKRZSA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000991725352 659843247 /nfs/dbraw/zinc/84/32/47/659843247.db2.gz ZHNSLHGAOXATBL-NWDGAFQWSA-N 2 1 294.399 -0.783 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000991725352 659843249 /nfs/dbraw/zinc/84/32/49/659843249.db2.gz ZHNSLHGAOXATBL-NWDGAFQWSA-N 2 1 294.399 -0.783 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991725352 659843250 /nfs/dbraw/zinc/84/32/50/659843250.db2.gz ZHNSLHGAOXATBL-NWDGAFQWSA-N 2 1 294.399 -0.783 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000991750955 659844193 /nfs/dbraw/zinc/84/41/93/659844193.db2.gz XTNISGKNKZGNJK-GFCCVEGCSA-N 2 1 294.399 -0.639 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995986590 659920909 /nfs/dbraw/zinc/92/09/09/659920909.db2.gz YXWDXHDIFHWHQU-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943208 659939128 /nfs/dbraw/zinc/93/91/28/659939128.db2.gz GDQWEZFVIWMPGZ-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943208 659939132 /nfs/dbraw/zinc/93/91/32/659939132.db2.gz GDQWEZFVIWMPGZ-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(N)=O ZINC000947685933 659960183 /nfs/dbraw/zinc/96/01/83/659960183.db2.gz QMGLZBFFVFZOGF-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(N)=O ZINC000947685933 659960186 /nfs/dbraw/zinc/96/01/86/659960186.db2.gz QMGLZBFFVFZOGF-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3C[NH2+]C4)C[C@H]21 ZINC001164669711 719384222 /nfs/dbraw/zinc/38/42/22/719384222.db2.gz UYZLGKBIMFHYAW-VXGBXAGGSA-N 2 1 261.329 -0.401 20 0 CBADMP C[N@H+]1CCO[C@@H]2CN(c3ncnc4c3C[NH2+]C4)C[C@H]21 ZINC001164669711 719384224 /nfs/dbraw/zinc/38/42/24/719384224.db2.gz UYZLGKBIMFHYAW-VXGBXAGGSA-N 2 1 261.329 -0.401 20 0 CBADMP C[N@H+]1CCO[C@H]2CN(c3cc(C4C[NH2+]C4)ncn3)C[C@H]21 ZINC001164667086 719490111 /nfs/dbraw/zinc/49/01/11/719490111.db2.gz ISSWOHCDZNXEAV-OLZOCXBDSA-N 2 1 275.356 -0.317 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001076462501 805577347 /nfs/dbraw/zinc/57/73/47/805577347.db2.gz XFTSVGCZKDTDMR-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001076462501 805577353 /nfs/dbraw/zinc/57/73/53/805577353.db2.gz XFTSVGCZKDTDMR-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001076462501 805577359 /nfs/dbraw/zinc/57/73/59/805577359.db2.gz XFTSVGCZKDTDMR-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP Cn1cncc1CCC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076517501 805579079 /nfs/dbraw/zinc/57/90/79/805579079.db2.gz NMQUWHVXTUOLLY-GXTWGEPZSA-N 2 1 292.383 -0.122 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076571262 805579762 /nfs/dbraw/zinc/57/97/62/805579762.db2.gz BNGOYGJHRSWLEN-QWHCGFSZSA-N 2 1 267.373 -0.393 20 0 CBADMP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076805744 805629628 /nfs/dbraw/zinc/62/96/28/805629628.db2.gz STGHAZGWQSMLOS-IJLUTSLNSA-N 2 1 255.362 -0.348 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076805744 805629634 /nfs/dbraw/zinc/62/96/34/805629634.db2.gz STGHAZGWQSMLOS-IJLUTSLNSA-N 2 1 255.362 -0.348 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001076805744 805629642 /nfs/dbraw/zinc/62/96/42/805629642.db2.gz STGHAZGWQSMLOS-IJLUTSLNSA-N 2 1 255.362 -0.348 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076805744 805629650 /nfs/dbraw/zinc/62/96/50/805629650.db2.gz STGHAZGWQSMLOS-IJLUTSLNSA-N 2 1 255.362 -0.348 20 0 CBADMP CC(=O)N1CCC[N@@H+](CCN2CC[NH2+]CC2)CC1 ZINC000043499928 790324984 /nfs/dbraw/zinc/32/49/84/790324984.db2.gz QBOFWYRDLNDSRE-UHFFFAOYSA-N 2 1 254.378 -0.554 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@H]2O)C1 ZINC001076838685 805636450 /nfs/dbraw/zinc/63/64/50/805636450.db2.gz IOZXPBRCDRRWMG-MCIONIFRSA-N 2 1 297.399 -0.722 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@H]2O)C1 ZINC001076838685 805636457 /nfs/dbraw/zinc/63/64/57/805636457.db2.gz IOZXPBRCDRRWMG-MCIONIFRSA-N 2 1 297.399 -0.722 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCC3)C[C@H]2O)C1 ZINC001076838685 805636463 /nfs/dbraw/zinc/63/64/63/805636463.db2.gz IOZXPBRCDRRWMG-MCIONIFRSA-N 2 1 297.399 -0.722 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2O)C1 ZINC001076838685 805636470 /nfs/dbraw/zinc/63/64/70/805636470.db2.gz IOZXPBRCDRRWMG-MCIONIFRSA-N 2 1 297.399 -0.722 20 0 CBADMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000044413006 790326632 /nfs/dbraw/zinc/32/66/32/790326632.db2.gz NRWSYUATUOTAFC-MNOVXSKESA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@H](O)Cn1cccn1 ZINC000227977579 790434328 /nfs/dbraw/zinc/43/43/28/790434328.db2.gz AXQMQMMWDGMNSJ-RYUDHWBXSA-N 2 1 256.350 -0.854 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000380287172 790513102 /nfs/dbraw/zinc/51/31/02/790513102.db2.gz CQNHFWZBIKKYIB-LBPRGKRZSA-N 2 1 282.388 -0.560 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C[C@@H](O)C[N@@H+](C)CCOC ZINC000381340201 790517478 /nfs/dbraw/zinc/51/74/78/790517478.db2.gz KJTSVJQOXIBTSX-OLZOCXBDSA-N 2 1 259.394 -0.391 20 0 CBADMP CN(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000383837653 790531212 /nfs/dbraw/zinc/53/12/12/790531212.db2.gz YVDNUBGWUNNZRF-WDEREUQCSA-N 2 1 261.391 -0.581 20 0 CBADMP CN(C)S(=O)(=O)CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000383837653 790531216 /nfs/dbraw/zinc/53/12/16/790531216.db2.gz YVDNUBGWUNNZRF-WDEREUQCSA-N 2 1 261.391 -0.581 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385139318 790538823 /nfs/dbraw/zinc/53/88/23/790538823.db2.gz LVLSQNZBBZQAIJ-MQYQWHSLSA-N 2 1 271.405 -0.583 20 0 CBADMP C[N@H+](CCNS(=O)(=O)CC[NH3+])Cc1ccccc1 ZINC000387503408 790554082 /nfs/dbraw/zinc/55/40/82/790554082.db2.gz XWCZMNFYDKLKIJ-UHFFFAOYSA-N 2 1 271.386 -0.004 20 0 CBADMP C[N@@H+](CCNS(=O)(=O)CC[NH3+])Cc1ccccc1 ZINC000387503408 790554087 /nfs/dbraw/zinc/55/40/87/790554087.db2.gz XWCZMNFYDKLKIJ-UHFFFAOYSA-N 2 1 271.386 -0.004 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000388877084 790559037 /nfs/dbraw/zinc/55/90/37/790559037.db2.gz RRDXHTRPCITSCI-RDBSUJKOSA-N 3 1 273.421 -0.158 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000388877084 790559047 /nfs/dbraw/zinc/55/90/47/790559047.db2.gz RRDXHTRPCITSCI-RDBSUJKOSA-N 2 1 273.421 -0.158 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000388877084 790559057 /nfs/dbraw/zinc/55/90/57/790559057.db2.gz RRDXHTRPCITSCI-RDBSUJKOSA-N 2 1 273.421 -0.158 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000388803347 790559397 /nfs/dbraw/zinc/55/93/97/790559397.db2.gz UJOPYUMRQUJQOS-KBPBESRZSA-N 2 1 273.421 -0.014 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000388803350 790559855 /nfs/dbraw/zinc/55/98/55/790559855.db2.gz UJOPYUMRQUJQOS-UONOGXRCSA-N 2 1 273.421 -0.014 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000394077097 790576274 /nfs/dbraw/zinc/57/62/74/790576274.db2.gz CERBTPCEUXCQPT-STQMWFEESA-N 2 1 259.394 -0.533 20 0 CBADMP [NH3+][C@H](CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2)C1CC1 ZINC000394385583 790576672 /nfs/dbraw/zinc/57/66/72/790576672.db2.gz MLERMSOGJFHYEU-QWHCGFSZSA-N 2 1 266.389 -0.380 20 0 CBADMP [NH3+][C@@H](CC1CC1)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394384025 790576804 /nfs/dbraw/zinc/57/68/04/790576804.db2.gz GHSJOZBUGFFLJZ-STQMWFEESA-N 2 1 266.389 -0.380 20 0 CBADMP CCCN(C[C@@H](O)C[N@@H+](C)CCOC)[C@@H]1CC[NH2+]C1 ZINC000394062033 790577314 /nfs/dbraw/zinc/57/73/14/790577314.db2.gz AMRVCHWNJNNZQU-KGLIPLIRSA-N 2 1 273.421 -0.001 20 0 CBADMP O=C1OCCN1CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000403159340 790611705 /nfs/dbraw/zinc/61/17/05/790611705.db2.gz FWTZZBCXZTUPNQ-GFCCVEGCSA-N 2 1 268.361 -0.582 20 0 CBADMP C[N@@H+](CCNS(=O)(=O)C1C[NH2+]C1)C1CCCC1 ZINC000405102530 790613168 /nfs/dbraw/zinc/61/31/68/790613168.db2.gz NSFRSPTWYUWJHN-UHFFFAOYSA-N 2 1 261.391 -0.248 20 0 CBADMP CCO[C@@H]1C[N@@H+](C[C@@H](O)CO[C@H](C)COC)C[C@H]1C[NH3+] ZINC000405480982 790618778 /nfs/dbraw/zinc/61/87/78/790618778.db2.gz XHKOIZSKABTHMR-AAVRWANBSA-N 2 1 290.404 -0.306 20 0 CBADMP C[N@H+](C[C@@H](O)CN1CC[NH+](C)[C@@H](CO)C1)C1CC1 ZINC000687589079 790652917 /nfs/dbraw/zinc/65/29/17/790652917.db2.gz HCBUXTVWXCDQLI-CHWSQXEVSA-N 2 1 257.378 -0.950 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CC[NH+](C)[C@@H](CO)C1)C1CC1 ZINC000687589079 790652923 /nfs/dbraw/zinc/65/29/23/790652923.db2.gz HCBUXTVWXCDQLI-CHWSQXEVSA-N 2 1 257.378 -0.950 20 0 CBADMP C[NH+](C[C@@H](O)CN1CC[N@H+](C)[C@@H](CO)C1)C1CC1 ZINC000687589079 790652929 /nfs/dbraw/zinc/65/29/29/790652929.db2.gz HCBUXTVWXCDQLI-CHWSQXEVSA-N 2 1 257.378 -0.950 20 0 CBADMP C[NH+](C[C@@H](O)CN1CC[N@@H+](C)[C@@H](CO)C1)C1CC1 ZINC000687589079 790652933 /nfs/dbraw/zinc/65/29/33/790652933.db2.gz HCBUXTVWXCDQLI-CHWSQXEVSA-N 2 1 257.378 -0.950 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](C)[C@H](CO)C1 ZINC000687593828 790659132 /nfs/dbraw/zinc/65/91/32/790659132.db2.gz MZBORKKXXXUXHW-STQMWFEESA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](C)[C@H](CO)C1 ZINC000687593828 790659139 /nfs/dbraw/zinc/65/91/39/790659139.db2.gz MZBORKKXXXUXHW-STQMWFEESA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@H+](C)[C@H](CO)C1 ZINC000687593828 790659147 /nfs/dbraw/zinc/65/91/47/790659147.db2.gz MZBORKKXXXUXHW-STQMWFEESA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@@H+](C)[C@H](CO)C1 ZINC000687593828 790659156 /nfs/dbraw/zinc/65/91/56/790659156.db2.gz MZBORKKXXXUXHW-STQMWFEESA-N 2 1 259.394 -0.704 20 0 CBADMP C[N@@H+]1CCN(C(=O)CC[NH2+]C(C)(C)C)C[C@@H]1CO ZINC000687605454 790661706 /nfs/dbraw/zinc/66/17/06/790661706.db2.gz UTHHCKWZEQAGAB-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CCN(C(=O)CC[NH2+]C(C)(C)C)C[C@@H]1CO ZINC000687605454 790661711 /nfs/dbraw/zinc/66/17/11/790661711.db2.gz UTHHCKWZEQAGAB-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP COC(=O)N(C)CC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000689548661 790667941 /nfs/dbraw/zinc/66/79/41/790667941.db2.gz WNDRUCUZJWWEOY-NSHDSACASA-N 2 1 259.350 -0.271 20 0 CBADMP COC(=O)N(C)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000689548661 790667944 /nfs/dbraw/zinc/66/79/44/790667944.db2.gz WNDRUCUZJWWEOY-NSHDSACASA-N 2 1 259.350 -0.271 20 0 CBADMP COC(=O)N(C)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000689548661 790667947 /nfs/dbraw/zinc/66/79/47/790667947.db2.gz WNDRUCUZJWWEOY-NSHDSACASA-N 2 1 259.350 -0.271 20 0 CBADMP COC(=O)N(C)CC[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000690771001 790672008 /nfs/dbraw/zinc/67/20/08/790672008.db2.gz JQTWEQMTTCQHPC-UHFFFAOYSA-N 2 1 286.376 -0.562 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000692012304 790675609 /nfs/dbraw/zinc/67/56/09/790675609.db2.gz CCFUKJHJKPLGDP-SRVKXCTJSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000695077031 790687366 /nfs/dbraw/zinc/68/73/66/790687366.db2.gz MYWZTHQMUBOGHN-MNOVXSKESA-N 2 1 261.391 -0.309 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000695077031 790687371 /nfs/dbraw/zinc/68/73/71/790687371.db2.gz MYWZTHQMUBOGHN-MNOVXSKESA-N 2 1 261.391 -0.309 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@]2(C)C1 ZINC000702274914 790722208 /nfs/dbraw/zinc/72/22/08/790722208.db2.gz FNSMUAOBMSNOEW-BZPMIXESSA-N 2 1 267.373 -0.225 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@]1(O)CCSC1)C1CC1 ZINC000705308324 790724964 /nfs/dbraw/zinc/72/49/64/790724964.db2.gz ZXDWGDWUZLZBHQ-NEPJUHHUSA-N 2 1 260.403 -0.101 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@]1(O)CCSC1)C1CC1 ZINC000705308324 790724969 /nfs/dbraw/zinc/72/49/69/790724969.db2.gz ZXDWGDWUZLZBHQ-NEPJUHHUSA-N 2 1 260.403 -0.101 20 0 CBADMP C[C@H]1C[N@H+](C2CCN(S(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000708869805 790735807 /nfs/dbraw/zinc/73/58/07/790735807.db2.gz IOXLUHZMWDFBOM-WDEREUQCSA-N 2 1 275.418 -0.063 20 0 CBADMP CS(=O)(=O)N1CCC(C[N@@H+]2CCC[NH2+]CC2)CC1 ZINC000709217019 790737191 /nfs/dbraw/zinc/73/71/91/790737191.db2.gz CQWNWXRMURADKM-UHFFFAOYSA-N 2 1 275.418 -0.047 20 0 CBADMP CS(=O)(=O)N1CCC(C[N@H+]2CCC[NH2+]CC2)CC1 ZINC000709217019 790737196 /nfs/dbraw/zinc/73/71/96/790737196.db2.gz CQWNWXRMURADKM-UHFFFAOYSA-N 2 1 275.418 -0.047 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720842922 790772976 /nfs/dbraw/zinc/77/29/76/790772976.db2.gz APXJLQCWVVSLJY-HBNTYKKESA-N 2 1 299.337 -0.253 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)CCn2ccnn2)CC1 ZINC000721880589 790785103 /nfs/dbraw/zinc/78/51/03/790785103.db2.gz KFEALNVDYJKXRN-UHFFFAOYSA-N 2 1 266.349 -0.793 20 0 CBADMP C[C@@H]1C[N@@H+](Cc2nc(N)nc(N(C)C)n2)C[C@H]1CC[NH3+] ZINC000723886145 790801058 /nfs/dbraw/zinc/80/10/58/790801058.db2.gz HLDAAQWKXKKCFZ-NXEZZACHSA-N 2 1 279.392 -0.064 20 0 CBADMP CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000723679366 790801590 /nfs/dbraw/zinc/80/15/90/790801590.db2.gz AWEWEUINCGXORF-SNVBAGLBSA-N 2 1 268.361 -0.013 20 0 CBADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000723672849 790802041 /nfs/dbraw/zinc/80/20/41/790802041.db2.gz SMCKJWBHEMKMJU-NWDGAFQWSA-N 2 1 255.362 -0.048 20 0 CBADMP C[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1CC[NH3+] ZINC000723887015 790802077 /nfs/dbraw/zinc/80/20/77/790802077.db2.gz PFCOGIOCTFFVBY-GHMZBOCLSA-N 2 1 280.372 -0.499 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000723694733 790802450 /nfs/dbraw/zinc/80/24/50/790802450.db2.gz HRZRLXHNKRMIQM-CYBMUJFWSA-N 2 1 282.388 -0.652 20 0 CBADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000723672684 790802924 /nfs/dbraw/zinc/80/29/24/790802924.db2.gz QRFLDKDEJIZOLB-VIFPVBQESA-N 2 1 254.334 -0.355 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724599511 790809507 /nfs/dbraw/zinc/80/95/07/790809507.db2.gz LBDKWDIBKOMJFH-AVGNSLFASA-N 2 1 258.362 -0.042 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724937529 790813096 /nfs/dbraw/zinc/81/30/96/790813096.db2.gz VNLUDWLCRXDZGI-OLZOCXBDSA-N 2 1 285.388 -0.421 20 0 CBADMP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001021928743 790971202 /nfs/dbraw/zinc/97/12/02/790971202.db2.gz SCABDOHHCAVWDZ-TUAOUCFPSA-N 2 1 255.362 -0.038 20 0 CBADMP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001021928743 790971211 /nfs/dbraw/zinc/97/12/11/790971211.db2.gz SCABDOHHCAVWDZ-TUAOUCFPSA-N 2 1 255.362 -0.038 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001022068035 790986012 /nfs/dbraw/zinc/98/60/12/790986012.db2.gz CUIBSZQGWVKMAL-FVCCEPFGSA-N 2 1 296.415 -0.030 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001022291936 791002384 /nfs/dbraw/zinc/00/23/84/791002384.db2.gz IAOIWVBUCNDQOB-XQHKEYJVSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022712942 791040840 /nfs/dbraw/zinc/04/08/40/791040840.db2.gz DJMIOVXUAHXKJE-SDDRHHMPSA-N 2 1 255.362 -0.443 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022712455 791040991 /nfs/dbraw/zinc/04/09/91/791040991.db2.gz QRLOIWRGLKNLGF-UTUOFQBUSA-N 2 1 255.362 -0.300 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1)C2 ZINC001022719592 791043206 /nfs/dbraw/zinc/04/32/06/791043206.db2.gz MMPLHHALSVATRM-RWMBFGLXSA-N 2 1 292.383 -0.017 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023718 805673652 /nfs/dbraw/zinc/67/36/52/805673652.db2.gz PIGKKRFPSNMMSM-DDHJBXDOSA-N 2 1 255.362 -0.492 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077023718 805673654 /nfs/dbraw/zinc/67/36/54/805673654.db2.gz PIGKKRFPSNMMSM-DDHJBXDOSA-N 2 1 255.362 -0.492 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077023718 805673657 /nfs/dbraw/zinc/67/36/57/805673657.db2.gz PIGKKRFPSNMMSM-DDHJBXDOSA-N 2 1 255.362 -0.492 20 0 CBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077091136 805684496 /nfs/dbraw/zinc/68/44/96/805684496.db2.gz NKFGKOPQCXPNQJ-JHJVBQTASA-N 2 1 285.388 -0.986 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077091136 805684500 /nfs/dbraw/zinc/68/45/00/805684500.db2.gz NKFGKOPQCXPNQJ-JHJVBQTASA-N 2 1 285.388 -0.986 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077091136 805684504 /nfs/dbraw/zinc/68/45/04/805684504.db2.gz NKFGKOPQCXPNQJ-JHJVBQTASA-N 2 1 285.388 -0.986 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077091136 805684507 /nfs/dbraw/zinc/68/45/07/805684507.db2.gz NKFGKOPQCXPNQJ-JHJVBQTASA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)c1nncn1C ZINC001147886284 814924254 /nfs/dbraw/zinc/92/42/54/814924254.db2.gz SZMXOYIYNRHZBZ-NWDGAFQWSA-N 2 1 294.403 -0.076 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1nncn1C ZINC001147886284 814924260 /nfs/dbraw/zinc/92/42/60/814924260.db2.gz SZMXOYIYNRHZBZ-NWDGAFQWSA-N 2 1 294.403 -0.076 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147886583 814924312 /nfs/dbraw/zinc/92/43/12/814924312.db2.gz XZPZTGJQOKBMBB-RYUDHWBXSA-N 2 1 273.377 -0.959 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001077505269 805738453 /nfs/dbraw/zinc/73/84/53/805738453.db2.gz XRORBLNFETURPW-JHJVBQTASA-N 2 1 299.415 -0.597 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001077505269 805738455 /nfs/dbraw/zinc/73/84/55/805738455.db2.gz XRORBLNFETURPW-JHJVBQTASA-N 2 1 299.415 -0.597 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077570811 805751256 /nfs/dbraw/zinc/75/12/56/805751256.db2.gz AAAKLUHFXWYTLD-IGQOVBAYSA-N 2 1 299.415 -0.476 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001077570811 805751263 /nfs/dbraw/zinc/75/12/63/805751263.db2.gz AAAKLUHFXWYTLD-IGQOVBAYSA-N 2 1 299.415 -0.476 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001077570811 805751270 /nfs/dbraw/zinc/75/12/70/805751270.db2.gz AAAKLUHFXWYTLD-IGQOVBAYSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077619078 805756026 /nfs/dbraw/zinc/75/60/26/805756026.db2.gz ZPDMZSNUHVKLOT-VXGBXAGGSA-N 2 1 255.362 -0.491 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618209 805756802 /nfs/dbraw/zinc/75/68/02/805756802.db2.gz BDZNIJDDQFBXIO-CHWSQXEVSA-N 2 1 269.389 -0.102 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618385 805757080 /nfs/dbraw/zinc/75/70/80/805757080.db2.gz GVQXSFCGMFPURG-IACUBPJLSA-N 2 1 299.415 -0.476 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618386 805757385 /nfs/dbraw/zinc/75/73/85/805757385.db2.gz GVQXSFCGMFPURG-MRVWCRGKSA-N 2 1 299.415 -0.476 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618596 805757515 /nfs/dbraw/zinc/75/75/15/805757515.db2.gz NGXWSOPHKUPKGZ-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001147886647 814924919 /nfs/dbraw/zinc/92/49/19/814924919.db2.gz ZJBSRNZWSCFRCR-LLVKDONJSA-N 2 1 280.376 -0.339 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001147886647 814924925 /nfs/dbraw/zinc/92/49/25/814924925.db2.gz ZJBSRNZWSCFRCR-LLVKDONJSA-N 2 1 280.376 -0.339 20 0 CBADMP C[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777270 805782120 /nfs/dbraw/zinc/78/21/20/805782120.db2.gz DZLLOXKEHGRJOX-MGPQQGTHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777270 805782126 /nfs/dbraw/zinc/78/21/26/805782126.db2.gz DZLLOXKEHGRJOX-MGPQQGTHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@H]2O)C1 ZINC001078174128 805850112 /nfs/dbraw/zinc/85/01/12/805850112.db2.gz CBRCKVONMKBQGQ-BFHYXJOUSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CC3)C[C@H]2O)C1 ZINC001078174128 805850119 /nfs/dbraw/zinc/85/01/19/805850119.db2.gz CBRCKVONMKBQGQ-BFHYXJOUSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2O)C1 ZINC001078174128 805850128 /nfs/dbraw/zinc/85/01/28/805850128.db2.gz CBRCKVONMKBQGQ-BFHYXJOUSA-N 2 1 281.400 -0.101 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(C)C)C[C@H]2O)C1 ZINC001078206352 805856864 /nfs/dbraw/zinc/85/68/64/805856864.db2.gz YCGOLIADWFYVMV-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(C)C)C[C@H]2O)C1 ZINC001078206352 805856874 /nfs/dbraw/zinc/85/68/74/805856874.db2.gz YCGOLIADWFYVMV-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC(C)C)C[C@H]2O)C1 ZINC001078206352 805856884 /nfs/dbraw/zinc/85/68/84/805856884.db2.gz YCGOLIADWFYVMV-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC(C)C)C[C@H]2O)C1 ZINC001078206352 805856893 /nfs/dbraw/zinc/85/68/93/805856893.db2.gz YCGOLIADWFYVMV-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175741 805851497 /nfs/dbraw/zinc/85/14/97/805851497.db2.gz KPIVKABHVBTLOZ-QJPTWQEYSA-N 2 1 255.362 -0.492 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078175741 805851505 /nfs/dbraw/zinc/85/15/05/805851505.db2.gz KPIVKABHVBTLOZ-QJPTWQEYSA-N 2 1 255.362 -0.492 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078175741 805851514 /nfs/dbraw/zinc/85/15/14/805851514.db2.gz KPIVKABHVBTLOZ-QJPTWQEYSA-N 2 1 255.362 -0.492 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(C)C)C[C@H]2O)C1 ZINC001078206353 805856957 /nfs/dbraw/zinc/85/69/57/805856957.db2.gz YCGOLIADWFYVMV-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(C)C)C[C@H]2O)C1 ZINC001078206353 805856967 /nfs/dbraw/zinc/85/69/67/805856967.db2.gz YCGOLIADWFYVMV-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC(C)C)C[C@H]2O)C1 ZINC001078206353 805856975 /nfs/dbraw/zinc/85/69/75/805856975.db2.gz YCGOLIADWFYVMV-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(C)C)C[C@H]2O)C1 ZINC001078206353 805856984 /nfs/dbraw/zinc/85/69/84/805856984.db2.gz YCGOLIADWFYVMV-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182089 805854981 /nfs/dbraw/zinc/85/49/81/805854981.db2.gz FGPDMESDXQARMI-CYZMBNFOSA-N 2 1 296.371 -0.612 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182089 805854991 /nfs/dbraw/zinc/85/49/91/805854991.db2.gz FGPDMESDXQARMI-CYZMBNFOSA-N 2 1 296.371 -0.612 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2O)C1 ZINC001078206014 805856439 /nfs/dbraw/zinc/85/64/39/805856439.db2.gz LWIDXHIADSWEHI-UPJWGTAASA-N 2 1 285.388 -0.723 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2O)C1 ZINC001078206014 805856448 /nfs/dbraw/zinc/85/64/48/805856448.db2.gz LWIDXHIADSWEHI-UPJWGTAASA-N 2 1 285.388 -0.723 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2O)C1 ZINC001078206014 805856455 /nfs/dbraw/zinc/85/64/55/805856455.db2.gz LWIDXHIADSWEHI-UPJWGTAASA-N 2 1 285.388 -0.723 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2O)C1 ZINC001078206014 805856466 /nfs/dbraw/zinc/85/64/66/805856466.db2.gz LWIDXHIADSWEHI-UPJWGTAASA-N 2 1 285.388 -0.723 20 0 CBADMP C[C@@H](CCNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001078200331 805857397 /nfs/dbraw/zinc/85/73/97/805857397.db2.gz TWWQOEMCIPGMEZ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001078367255 805874103 /nfs/dbraw/zinc/87/41/03/805874103.db2.gz HUDYAGCAAFFZBQ-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001078367255 805874105 /nfs/dbraw/zinc/87/41/05/805874105.db2.gz HUDYAGCAAFFZBQ-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001078367939 805875110 /nfs/dbraw/zinc/87/51/10/805875110.db2.gz WGOHQGHJRULTBP-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001078367939 805875119 /nfs/dbraw/zinc/87/51/19/805875119.db2.gz WGOHQGHJRULTBP-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418767 805875979 /nfs/dbraw/zinc/87/59/79/805875979.db2.gz WACRJECOLYATQX-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418767 805875987 /nfs/dbraw/zinc/87/59/87/805875987.db2.gz WACRJECOLYATQX-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079489855 805920591 /nfs/dbraw/zinc/92/05/91/805920591.db2.gz QOPSRNHJIILOIR-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001079489855 805920599 /nfs/dbraw/zinc/92/05/99/805920599.db2.gz QOPSRNHJIILOIR-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001079489855 805920607 /nfs/dbraw/zinc/92/06/07/805920607.db2.gz QOPSRNHJIILOIR-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079527681 805923170 /nfs/dbraw/zinc/92/31/70/805923170.db2.gz ADMBSMVCFQKHNK-IJLUTSLNSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079527681 805923178 /nfs/dbraw/zinc/92/31/78/805923178.db2.gz ADMBSMVCFQKHNK-IJLUTSLNSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079527681 805923181 /nfs/dbraw/zinc/92/31/81/805923181.db2.gz ADMBSMVCFQKHNK-IJLUTSLNSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079527681 805923192 /nfs/dbraw/zinc/92/31/92/805923192.db2.gz ADMBSMVCFQKHNK-IJLUTSLNSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079707596 805942089 /nfs/dbraw/zinc/94/20/89/805942089.db2.gz MAFZOKRVLSULPN-MRVWCRGKSA-N 2 1 281.400 -0.243 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079707595 805942441 /nfs/dbraw/zinc/94/24/41/805942441.db2.gz MAFZOKRVLSULPN-KWCYVHTRSA-N 2 1 281.400 -0.243 20 0 CBADMP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951414 805953666 /nfs/dbraw/zinc/95/36/66/805953666.db2.gz LOELZSTYGJTOIX-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951414 805953673 /nfs/dbraw/zinc/95/36/73/805953673.db2.gz LOELZSTYGJTOIX-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951414 805953679 /nfs/dbraw/zinc/95/36/79/805953679.db2.gz LOELZSTYGJTOIX-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951414 805953683 /nfs/dbraw/zinc/95/36/83/805953683.db2.gz LOELZSTYGJTOIX-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951523 805953983 /nfs/dbraw/zinc/95/39/83/805953983.db2.gz RGJWBYIQUPKJSK-FDYHWXHSSA-N 2 1 285.388 -0.866 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951523 805953989 /nfs/dbraw/zinc/95/39/89/805953989.db2.gz RGJWBYIQUPKJSK-FDYHWXHSSA-N 2 1 285.388 -0.866 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951523 805953992 /nfs/dbraw/zinc/95/39/92/805953992.db2.gz RGJWBYIQUPKJSK-FDYHWXHSSA-N 2 1 285.388 -0.866 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951523 805953997 /nfs/dbraw/zinc/95/39/97/805953997.db2.gz RGJWBYIQUPKJSK-FDYHWXHSSA-N 2 1 285.388 -0.866 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970600 814927365 /nfs/dbraw/zinc/92/73/65/814927365.db2.gz MOVSUDKSWSDEBW-UHFFFAOYSA-N 2 1 277.372 -0.278 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001147977684 814928017 /nfs/dbraw/zinc/92/80/17/814928017.db2.gz VOTGDDWYBICORN-UHFFFAOYSA-N 2 1 278.360 -0.585 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080781239 806009443 /nfs/dbraw/zinc/00/94/43/806009443.db2.gz SLPMHDFNRQLXJX-IJLUTSLNSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080781239 806009450 /nfs/dbraw/zinc/00/94/50/806009450.db2.gz SLPMHDFNRQLXJX-IJLUTSLNSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080781239 806009460 /nfs/dbraw/zinc/00/94/60/806009460.db2.gz SLPMHDFNRQLXJX-IJLUTSLNSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080781239 806009470 /nfs/dbraw/zinc/00/94/70/806009470.db2.gz SLPMHDFNRQLXJX-IJLUTSLNSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080782774 806009771 /nfs/dbraw/zinc/00/97/71/806009771.db2.gz AMRPUMNSELGCBV-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080782774 806009779 /nfs/dbraw/zinc/00/97/79/806009779.db2.gz AMRPUMNSELGCBV-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080782774 806009787 /nfs/dbraw/zinc/00/97/87/806009787.db2.gz AMRPUMNSELGCBV-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001080778831 806010672 /nfs/dbraw/zinc/01/06/72/806010672.db2.gz AHNPIITZDORGBD-FRRDWIJNSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001080778831 806010681 /nfs/dbraw/zinc/01/06/81/806010681.db2.gz AHNPIITZDORGBD-FRRDWIJNSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001080778831 806010690 /nfs/dbraw/zinc/01/06/90/806010690.db2.gz AHNPIITZDORGBD-FRRDWIJNSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080778831 806010700 /nfs/dbraw/zinc/01/07/00/806010700.db2.gz AHNPIITZDORGBD-FRRDWIJNSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080935333 806018118 /nfs/dbraw/zinc/01/81/18/806018118.db2.gz QJIGZQJWTHBJIM-IJLUTSLNSA-N 2 1 282.388 -0.879 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080935333 806018127 /nfs/dbraw/zinc/01/81/27/806018127.db2.gz QJIGZQJWTHBJIM-IJLUTSLNSA-N 2 1 282.388 -0.879 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001080935333 806018138 /nfs/dbraw/zinc/01/81/38/806018138.db2.gz QJIGZQJWTHBJIM-IJLUTSLNSA-N 2 1 282.388 -0.879 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080935333 806018148 /nfs/dbraw/zinc/01/81/48/806018148.db2.gz QJIGZQJWTHBJIM-IJLUTSLNSA-N 2 1 282.388 -0.879 20 0 CBADMP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080940121 806018562 /nfs/dbraw/zinc/01/85/62/806018562.db2.gz YLVHFFYMFNFGGL-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080940121 806018569 /nfs/dbraw/zinc/01/85/69/806018569.db2.gz YLVHFFYMFNFGGL-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081673115 806113644 /nfs/dbraw/zinc/11/36/44/806113644.db2.gz XZEVRVPIDQDRKZ-MGPQQGTHSA-N 2 1 297.399 -0.864 20 0 CBADMP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001081659238 806111684 /nfs/dbraw/zinc/11/16/84/806111684.db2.gz SKJBIZOZILWFHI-HZSPNIEDSA-N 2 1 299.415 -0.333 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001081659238 806111692 /nfs/dbraw/zinc/11/16/92/806111692.db2.gz SKJBIZOZILWFHI-HZSPNIEDSA-N 2 1 299.415 -0.333 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001081659238 806111695 /nfs/dbraw/zinc/11/16/95/806111695.db2.gz SKJBIZOZILWFHI-HZSPNIEDSA-N 2 1 299.415 -0.333 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001081659238 806111701 /nfs/dbraw/zinc/11/17/01/806111701.db2.gz SKJBIZOZILWFHI-HZSPNIEDSA-N 2 1 299.415 -0.333 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328795 806164869 /nfs/dbraw/zinc/16/48/69/806164869.db2.gz LUVPIIBFTRSQFY-YNEHKIRRSA-N 2 1 297.399 -0.722 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2OC)C1 ZINC001082377530 806169351 /nfs/dbraw/zinc/16/93/51/806169351.db2.gz UGTLEMFUQVEQFL-MCIONIFRSA-N 2 1 299.415 -0.069 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2OC)C1 ZINC001082377530 806169359 /nfs/dbraw/zinc/16/93/59/806169359.db2.gz UGTLEMFUQVEQFL-MCIONIFRSA-N 2 1 299.415 -0.069 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2OC)C1 ZINC001082377530 806169363 /nfs/dbraw/zinc/16/93/63/806169363.db2.gz UGTLEMFUQVEQFL-MCIONIFRSA-N 2 1 299.415 -0.069 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2OC)C1 ZINC001082377530 806169368 /nfs/dbraw/zinc/16/93/68/806169368.db2.gz UGTLEMFUQVEQFL-MCIONIFRSA-N 2 1 299.415 -0.069 20 0 CBADMP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370847 806170369 /nfs/dbraw/zinc/17/03/69/806170369.db2.gz DZRUSXLFWHFLEN-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370847 806170375 /nfs/dbraw/zinc/17/03/75/806170375.db2.gz DZRUSXLFWHFLEN-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370999 806171236 /nfs/dbraw/zinc/17/12/36/806171236.db2.gz NFSJDPDOEYXEGV-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370999 806171241 /nfs/dbraw/zinc/17/12/41/806171241.db2.gz NFSJDPDOEYXEGV-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001082646634 806188369 /nfs/dbraw/zinc/18/83/69/806188369.db2.gz JCNGOIMORATFGJ-ADEWGFFLSA-N 2 1 293.371 -0.498 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082596339 806186887 /nfs/dbraw/zinc/18/68/87/806186887.db2.gz GNNLYKSKLYYNII-UTUOFQBUSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(N)=O ZINC001082862086 806196554 /nfs/dbraw/zinc/19/65/54/806196554.db2.gz YDEFGDFZCQMPFH-GRYCIOLGSA-N 2 1 282.388 -0.750 20 0 CBADMP CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083275224 806246263 /nfs/dbraw/zinc/24/62/63/806246263.db2.gz TUZSXNWFXJJRAQ-FRRDWIJNSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083275224 806246269 /nfs/dbraw/zinc/24/62/69/806246269.db2.gz TUZSXNWFXJJRAQ-FRRDWIJNSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083275224 806246278 /nfs/dbraw/zinc/24/62/78/806246278.db2.gz TUZSXNWFXJJRAQ-FRRDWIJNSA-N 2 1 267.373 -0.130 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083455460 806332342 /nfs/dbraw/zinc/33/23/42/806332342.db2.gz DNEOUVJFJAZPMV-RDBSUJKOSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083455460 806332353 /nfs/dbraw/zinc/33/23/53/806332353.db2.gz DNEOUVJFJAZPMV-RDBSUJKOSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083455460 806332361 /nfs/dbraw/zinc/33/23/61/806332361.db2.gz DNEOUVJFJAZPMV-RDBSUJKOSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083455459 806332944 /nfs/dbraw/zinc/33/29/44/806332944.db2.gz DNEOUVJFJAZPMV-MCIONIFRSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083455459 806332953 /nfs/dbraw/zinc/33/29/53/806332953.db2.gz DNEOUVJFJAZPMV-MCIONIFRSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083455459 806332962 /nfs/dbraw/zinc/33/29/62/806332962.db2.gz DNEOUVJFJAZPMV-MCIONIFRSA-N 2 1 299.415 -0.597 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455751 806333596 /nfs/dbraw/zinc/33/35/96/806333596.db2.gz RRNKYQPNCVTFBH-RDBSUJKOSA-N 2 1 299.415 -0.333 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455751 806333607 /nfs/dbraw/zinc/33/36/07/806333607.db2.gz RRNKYQPNCVTFBH-RDBSUJKOSA-N 2 1 299.415 -0.333 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083455751 806333615 /nfs/dbraw/zinc/33/36/15/806333615.db2.gz RRNKYQPNCVTFBH-RDBSUJKOSA-N 2 1 299.415 -0.333 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083455751 806333625 /nfs/dbraw/zinc/33/36/25/806333625.db2.gz RRNKYQPNCVTFBH-RDBSUJKOSA-N 2 1 299.415 -0.333 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472352 806335339 /nfs/dbraw/zinc/33/53/39/806335339.db2.gz SQZXAKLYXRPNQW-LPWJVIDDSA-N 2 1 285.388 -0.866 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472352 806335348 /nfs/dbraw/zinc/33/53/48/806335348.db2.gz SQZXAKLYXRPNQW-LPWJVIDDSA-N 2 1 285.388 -0.866 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472352 806335357 /nfs/dbraw/zinc/33/53/57/806335357.db2.gz SQZXAKLYXRPNQW-LPWJVIDDSA-N 2 1 285.388 -0.866 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466272 806336174 /nfs/dbraw/zinc/33/61/74/806336174.db2.gz NNJJCJNBYXCWJT-UPJWGTAASA-N 2 1 267.373 -0.491 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)CC1 ZINC001083749609 806421537 /nfs/dbraw/zinc/42/15/37/806421537.db2.gz IHRVJVGYTSOALV-OLZOCXBDSA-N 2 1 287.379 -0.151 20 0 CBADMP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749504 806422321 /nfs/dbraw/zinc/42/23/21/806422321.db2.gz CZEOVENHFKDSST-YUTCNCBUSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083833062 806441327 /nfs/dbraw/zinc/44/13/27/806441327.db2.gz HKUCXBVXMLRIGK-MCIONIFRSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083833062 806441330 /nfs/dbraw/zinc/44/13/30/806441330.db2.gz HKUCXBVXMLRIGK-MCIONIFRSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083833062 806441337 /nfs/dbraw/zinc/44/13/37/806441337.db2.gz HKUCXBVXMLRIGK-MCIONIFRSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083833062 806441343 /nfs/dbraw/zinc/44/13/43/806441343.db2.gz HKUCXBVXMLRIGK-MCIONIFRSA-N 2 1 299.415 -0.597 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083850965 806447760 /nfs/dbraw/zinc/44/77/60/806447760.db2.gz FBGXOKKPIPFVHV-OLZOCXBDSA-N 2 1 295.387 -0.761 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954228 806466993 /nfs/dbraw/zinc/46/69/93/806466993.db2.gz QCVNCCXEYDVSAL-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083954228 806466999 /nfs/dbraw/zinc/46/69/99/806466999.db2.gz QCVNCCXEYDVSAL-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083954228 806467004 /nfs/dbraw/zinc/46/70/04/806467004.db2.gz QCVNCCXEYDVSAL-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954920 806468288 /nfs/dbraw/zinc/46/82/88/806468288.db2.gz OLCVVOHTPUSXRJ-XQQFMLRXSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083954920 806468294 /nfs/dbraw/zinc/46/82/94/806468294.db2.gz OLCVVOHTPUSXRJ-XQQFMLRXSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083954920 806468299 /nfs/dbraw/zinc/46/82/99/806468299.db2.gz OLCVVOHTPUSXRJ-XQQFMLRXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2O)C1 ZINC001083953463 806468539 /nfs/dbraw/zinc/46/85/39/806468539.db2.gz UEPJMOUUFSJOPV-UPJWGTAASA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2O)C1 ZINC001083953463 806468541 /nfs/dbraw/zinc/46/85/41/806468541.db2.gz UEPJMOUUFSJOPV-UPJWGTAASA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)C1 ZINC001083953463 806468546 /nfs/dbraw/zinc/46/85/46/806468546.db2.gz UEPJMOUUFSJOPV-UPJWGTAASA-N 2 1 287.379 -0.151 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@@H]2O)C1 ZINC001084053903 806480793 /nfs/dbraw/zinc/48/07/93/806480793.db2.gz PATZNLMDTVFOGD-MCIONIFRSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2O)C1 ZINC001084053903 806480795 /nfs/dbraw/zinc/48/07/95/806480795.db2.gz PATZNLMDTVFOGD-MCIONIFRSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2O)C1 ZINC001084053903 806480799 /nfs/dbraw/zinc/48/07/99/806480799.db2.gz PATZNLMDTVFOGD-MCIONIFRSA-N 2 1 281.400 -0.101 20 0 CBADMP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084054152 806482211 /nfs/dbraw/zinc/48/22/11/806482211.db2.gz YLVXEMLSZOUZOZ-XQQFMLRXSA-N 2 1 269.389 -0.101 20 0 CBADMP CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084054152 806482214 /nfs/dbraw/zinc/48/22/14/806482214.db2.gz YLVXEMLSZOUZOZ-XQQFMLRXSA-N 2 1 269.389 -0.101 20 0 CBADMP CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084054152 806482218 /nfs/dbraw/zinc/48/22/18/806482218.db2.gz YLVXEMLSZOUZOZ-XQQFMLRXSA-N 2 1 269.389 -0.101 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060051 806483387 /nfs/dbraw/zinc/48/33/87/806483387.db2.gz FGPDMESDXQARMI-RTXFEEFZSA-N 2 1 296.371 -0.612 20 0 CBADMP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060051 806483391 /nfs/dbraw/zinc/48/33/91/806483391.db2.gz FGPDMESDXQARMI-RTXFEEFZSA-N 2 1 296.371 -0.612 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1O ZINC001084060209 806484310 /nfs/dbraw/zinc/48/43/10/806484310.db2.gz MTOMICRRWLEXDK-NEPJUHHUSA-N 2 1 266.345 -0.239 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1O ZINC001084060209 806484314 /nfs/dbraw/zinc/48/43/14/806484314.db2.gz MTOMICRRWLEXDK-NEPJUHHUSA-N 2 1 266.345 -0.239 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001084077837 806485621 /nfs/dbraw/zinc/48/56/21/806485621.db2.gz DDKMJJZKZPAVFY-RDBSUJKOSA-N 2 1 297.399 -0.722 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001084077837 806485627 /nfs/dbraw/zinc/48/56/27/806485627.db2.gz DDKMJJZKZPAVFY-RDBSUJKOSA-N 2 1 297.399 -0.722 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)C1 ZINC001084077837 806485629 /nfs/dbraw/zinc/48/56/29/806485629.db2.gz DDKMJJZKZPAVFY-RDBSUJKOSA-N 2 1 297.399 -0.722 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)C1 ZINC001084077837 806485635 /nfs/dbraw/zinc/48/56/35/806485635.db2.gz DDKMJJZKZPAVFY-RDBSUJKOSA-N 2 1 297.399 -0.722 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2O)C1 ZINC001084078888 806486882 /nfs/dbraw/zinc/48/68/82/806486882.db2.gz LWIDXHIADSWEHI-FRRDWIJNSA-N 2 1 285.388 -0.723 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2O)C1 ZINC001084078888 806486889 /nfs/dbraw/zinc/48/68/89/806486889.db2.gz LWIDXHIADSWEHI-FRRDWIJNSA-N 2 1 285.388 -0.723 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2O)C1 ZINC001084078888 806486894 /nfs/dbraw/zinc/48/68/94/806486894.db2.gz LWIDXHIADSWEHI-FRRDWIJNSA-N 2 1 285.388 -0.723 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2O)C1 ZINC001084078888 806486897 /nfs/dbraw/zinc/48/68/97/806486897.db2.gz LWIDXHIADSWEHI-FRRDWIJNSA-N 2 1 285.388 -0.723 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)CC[N@H+]1C ZINC001084355073 806515873 /nfs/dbraw/zinc/51/58/73/806515873.db2.gz DJOLHWYPVDIHTG-AAVRWANBSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](CCO)C[C@H]32)CC[NH+]1C ZINC001084355073 806515879 /nfs/dbraw/zinc/51/58/79/806515879.db2.gz DJOLHWYPVDIHTG-AAVRWANBSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)CC[NH+]1C ZINC001084355073 806515885 /nfs/dbraw/zinc/51/58/85/806515885.db2.gz DJOLHWYPVDIHTG-AAVRWANBSA-N 2 1 281.400 -0.148 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084722660 806533505 /nfs/dbraw/zinc/53/35/05/806533505.db2.gz YIZZBLFVHXDJNL-ZIAGYGMSSA-N 2 1 297.399 -0.766 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084722660 806533508 /nfs/dbraw/zinc/53/35/08/806533508.db2.gz YIZZBLFVHXDJNL-ZIAGYGMSSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCO)[C@H]3C2)C1 ZINC001085093259 806546176 /nfs/dbraw/zinc/54/61/76/806546176.db2.gz PFUFGNCFYMEQBA-MCIONIFRSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCO)[C@H]3C2)C1 ZINC001085093259 806546183 /nfs/dbraw/zinc/54/61/83/806546183.db2.gz PFUFGNCFYMEQBA-MCIONIFRSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@H]3C2)C1 ZINC001085093259 806546189 /nfs/dbraw/zinc/54/61/89/806546189.db2.gz PFUFGNCFYMEQBA-MCIONIFRSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085333057 806553065 /nfs/dbraw/zinc/55/30/65/806553065.db2.gz XNELCXZGWJLRKT-YNEHKIRRSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCO)C1 ZINC001085422734 806554989 /nfs/dbraw/zinc/55/49/89/806554989.db2.gz DURZBPHEXWCWGS-JHJVBQTASA-N 2 1 269.389 -0.053 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085598207 806584931 /nfs/dbraw/zinc/58/49/31/806584931.db2.gz OYUZMADOMHIQPG-KGLIPLIRSA-N 2 1 281.400 -0.147 20 0 CBADMP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085673463 806593196 /nfs/dbraw/zinc/59/31/96/806593196.db2.gz XZZQPZWZWRLJMD-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085673463 806593201 /nfs/dbraw/zinc/59/32/01/806593201.db2.gz XZZQPZWZWRLJMD-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085673463 806593204 /nfs/dbraw/zinc/59/32/04/806593204.db2.gz XZZQPZWZWRLJMD-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001085673463 806593207 /nfs/dbraw/zinc/59/32/07/806593207.db2.gz XZZQPZWZWRLJMD-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001022973533 798870477 /nfs/dbraw/zinc/87/04/77/798870477.db2.gz OBJMAIPRRJPRPR-NDBYEHHHSA-N 2 1 294.399 -0.547 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001022976637 798870902 /nfs/dbraw/zinc/87/09/02/798870902.db2.gz CMZLSADQFOBLER-FVCCEPFGSA-N 2 1 296.415 -0.171 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023084327 798879712 /nfs/dbraw/zinc/87/97/12/798879712.db2.gz NLCVJUHIIOVYQO-UTUOFQBUSA-N 2 1 292.387 -0.496 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001023083929 798880468 /nfs/dbraw/zinc/88/04/68/798880468.db2.gz DPZISFOFMXPMKM-FVCCEPFGSA-N 2 1 294.399 -0.547 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001023569840 798913400 /nfs/dbraw/zinc/91/34/00/798913400.db2.gz ULQFHHRESWEVPV-GFCCVEGCSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001023569840 798913407 /nfs/dbraw/zinc/91/34/07/798913407.db2.gz ULQFHHRESWEVPV-GFCCVEGCSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001023750839 798921733 /nfs/dbraw/zinc/92/17/33/798921733.db2.gz XZMNTTHZTQGJIA-QWHCGFSZSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001023750839 798921735 /nfs/dbraw/zinc/92/17/35/798921735.db2.gz XZMNTTHZTQGJIA-QWHCGFSZSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001023750839 798921738 /nfs/dbraw/zinc/92/17/38/798921738.db2.gz XZMNTTHZTQGJIA-QWHCGFSZSA-N 2 1 269.389 -0.241 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781590 798974583 /nfs/dbraw/zinc/97/45/83/798974583.db2.gz KUQQYRNMEUMMPU-SEBNEYGDSA-N 2 1 293.411 -0.101 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025781590 798974586 /nfs/dbraw/zinc/97/45/86/798974586.db2.gz KUQQYRNMEUMMPU-SEBNEYGDSA-N 2 1 293.411 -0.101 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025781590 798974589 /nfs/dbraw/zinc/97/45/89/798974589.db2.gz KUQQYRNMEUMMPU-SEBNEYGDSA-N 2 1 293.411 -0.101 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781592 798975487 /nfs/dbraw/zinc/97/54/87/798975487.db2.gz KUQQYRNMEUMMPU-XPABHHOTSA-N 2 1 293.411 -0.101 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025781592 798975491 /nfs/dbraw/zinc/97/54/91/798975491.db2.gz KUQQYRNMEUMMPU-XPABHHOTSA-N 2 1 293.411 -0.101 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025781592 798975494 /nfs/dbraw/zinc/97/54/94/798975494.db2.gz KUQQYRNMEUMMPU-XPABHHOTSA-N 2 1 293.411 -0.101 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001025792911 798977559 /nfs/dbraw/zinc/97/75/59/798977559.db2.gz KHAPNOJXDLQPQI-ISFYIQIJSA-N 2 1 294.399 -0.753 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001025792911 798977562 /nfs/dbraw/zinc/97/75/62/798977562.db2.gz KHAPNOJXDLQPQI-ISFYIQIJSA-N 2 1 294.399 -0.753 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001025792911 798977566 /nfs/dbraw/zinc/97/75/66/798977566.db2.gz KHAPNOJXDLQPQI-ISFYIQIJSA-N 2 1 294.399 -0.753 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001025792911 798977572 /nfs/dbraw/zinc/97/75/72/798977572.db2.gz KHAPNOJXDLQPQI-ISFYIQIJSA-N 2 1 294.399 -0.753 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001025820337 798978377 /nfs/dbraw/zinc/97/83/77/798978377.db2.gz OBNCYJOSAOJYNU-DGTMBMJNSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001025820337 798978380 /nfs/dbraw/zinc/97/83/80/798978380.db2.gz OBNCYJOSAOJYNU-DGTMBMJNSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001025820337 798978382 /nfs/dbraw/zinc/97/83/82/798978382.db2.gz OBNCYJOSAOJYNU-DGTMBMJNSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001026040827 798987481 /nfs/dbraw/zinc/98/74/81/798987481.db2.gz IMOWJWRTYBPPDK-SSKLVLDBSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001026040827 798987488 /nfs/dbraw/zinc/98/74/88/798987488.db2.gz IMOWJWRTYBPPDK-SSKLVLDBSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001026040827 798987494 /nfs/dbraw/zinc/98/74/94/798987494.db2.gz IMOWJWRTYBPPDK-SSKLVLDBSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC001026040827 798987502 /nfs/dbraw/zinc/98/75/02/798987502.db2.gz IMOWJWRTYBPPDK-SSKLVLDBSA-N 2 1 294.399 -0.609 20 0 CBADMP 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 ZINC001026045548 798987807 /nfs/dbraw/zinc/98/78/07/798987807.db2.gz HPAVQEROUWGCCG-MEBFFEOJSA-N 2 1 281.400 -0.387 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001026045548 798987809 /nfs/dbraw/zinc/98/78/09/798987809.db2.gz HPAVQEROUWGCCG-MEBFFEOJSA-N 2 1 281.400 -0.387 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001026045548 798987811 /nfs/dbraw/zinc/98/78/11/798987811.db2.gz HPAVQEROUWGCCG-MEBFFEOJSA-N 2 1 281.400 -0.387 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001026040913 798988181 /nfs/dbraw/zinc/98/81/81/798988181.db2.gz ZGTPSHQKUONGTE-XOBFJNJYSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001026040913 798988187 /nfs/dbraw/zinc/98/81/87/798988187.db2.gz ZGTPSHQKUONGTE-XOBFJNJYSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001026040913 798988191 /nfs/dbraw/zinc/98/81/91/798988191.db2.gz ZGTPSHQKUONGTE-XOBFJNJYSA-N 2 1 281.400 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001026145892 798992891 /nfs/dbraw/zinc/99/28/91/798992891.db2.gz VKQJEULRYFUBRC-KVSVUVNWSA-N 2 1 294.399 -0.881 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001026145892 798992894 /nfs/dbraw/zinc/99/28/94/798992894.db2.gz VKQJEULRYFUBRC-KVSVUVNWSA-N 2 1 294.399 -0.881 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001026145892 798992896 /nfs/dbraw/zinc/99/28/96/798992896.db2.gz VKQJEULRYFUBRC-KVSVUVNWSA-N 2 1 294.399 -0.881 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027333838 799040372 /nfs/dbraw/zinc/04/03/72/799040372.db2.gz DDUUODAMEVUEGR-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001027333838 799040378 /nfs/dbraw/zinc/04/03/78/799040378.db2.gz DDUUODAMEVUEGR-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001027333838 799040382 /nfs/dbraw/zinc/04/03/82/799040382.db2.gz DDUUODAMEVUEGR-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027465448 799049948 /nfs/dbraw/zinc/04/99/48/799049948.db2.gz OAMTWBCKXSKZTF-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027465448 799049954 /nfs/dbraw/zinc/04/99/54/799049954.db2.gz OAMTWBCKXSKZTF-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001027465448 799049962 /nfs/dbraw/zinc/04/99/62/799049962.db2.gz OAMTWBCKXSKZTF-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001027465448 799049971 /nfs/dbraw/zinc/04/99/71/799049971.db2.gz OAMTWBCKXSKZTF-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH+](C)CCO)C2)O1 ZINC001027463534 799050708 /nfs/dbraw/zinc/05/07/08/799050708.db2.gz CMGOCAGOCOXAAC-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH+](C)CCO)C2)O1 ZINC001027463534 799050716 /nfs/dbraw/zinc/05/07/16/799050716.db2.gz CMGOCAGOCOXAAC-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]([N@H+](C)CCO)C2)O1 ZINC001027463534 799050723 /nfs/dbraw/zinc/05/07/23/799050723.db2.gz CMGOCAGOCOXAAC-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CCO)C2)O1 ZINC001027463534 799050729 /nfs/dbraw/zinc/05/07/29/799050729.db2.gz CMGOCAGOCOXAAC-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001027578629 799057538 /nfs/dbraw/zinc/05/75/38/799057538.db2.gz PEECSKWWJMBECQ-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001027578629 799057543 /nfs/dbraw/zinc/05/75/43/799057543.db2.gz PEECSKWWJMBECQ-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001027562901 799058874 /nfs/dbraw/zinc/05/88/74/799058874.db2.gz YLFCMJZIFIYVLL-TZMCWYRMSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001027562901 799058879 /nfs/dbraw/zinc/05/88/79/799058879.db2.gz YLFCMJZIFIYVLL-TZMCWYRMSA-N 2 1 298.431 -0.019 20 0 CBADMP C[N@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001027615533 799060169 /nfs/dbraw/zinc/06/01/69/799060169.db2.gz UYGSHXNDFDTKMI-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001027615533 799060174 /nfs/dbraw/zinc/06/01/74/799060174.db2.gz UYGSHXNDFDTKMI-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681429 799064015 /nfs/dbraw/zinc/06/40/15/799064015.db2.gz WSQNWSIQPNTZFY-GFCCVEGCSA-N 2 1 282.388 -0.510 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681429 799064019 /nfs/dbraw/zinc/06/40/19/799064019.db2.gz WSQNWSIQPNTZFY-GFCCVEGCSA-N 2 1 282.388 -0.510 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC001027806229 799081270 /nfs/dbraw/zinc/08/12/70/799081270.db2.gz FMBYHBQHBIMQLL-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC001027806229 799081277 /nfs/dbraw/zinc/08/12/77/799081277.db2.gz FMBYHBQHBIMQLL-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001027806229 799081284 /nfs/dbraw/zinc/08/12/84/799081284.db2.gz FMBYHBQHBIMQLL-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC001027806229 799081291 /nfs/dbraw/zinc/08/12/91/799081291.db2.gz FMBYHBQHBIMQLL-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(N)=O)CC[N@@H+]1C ZINC001027892553 799094256 /nfs/dbraw/zinc/09/42/56/799094256.db2.gz ZAIFDDQFNLGIFX-IJLUTSLNSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(N)=O)CC[N@H+]1C ZINC001027892553 799094263 /nfs/dbraw/zinc/09/42/63/799094263.db2.gz ZAIFDDQFNLGIFX-IJLUTSLNSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)CC[NH+]1C ZINC001027892553 799094271 /nfs/dbraw/zinc/09/42/71/799094271.db2.gz ZAIFDDQFNLGIFX-IJLUTSLNSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)CC[NH+]1C ZINC001027892553 799094278 /nfs/dbraw/zinc/09/42/78/799094278.db2.gz ZAIFDDQFNLGIFX-IJLUTSLNSA-N 2 1 282.388 -0.608 20 0 CBADMP NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027884660 799094860 /nfs/dbraw/zinc/09/48/60/799094860.db2.gz NXRCVDOACDIUAF-QWHCGFSZSA-N 2 1 294.399 -0.606 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027884660 799094869 /nfs/dbraw/zinc/09/48/69/799094869.db2.gz NXRCVDOACDIUAF-QWHCGFSZSA-N 2 1 294.399 -0.606 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001028094406 799108529 /nfs/dbraw/zinc/10/85/29/799108529.db2.gz YWPYXWJJVABCCP-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCO)C1 ZINC001028094406 799108532 /nfs/dbraw/zinc/10/85/32/799108532.db2.gz YWPYXWJJVABCCP-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCO)C1 ZINC001028094406 799108534 /nfs/dbraw/zinc/10/85/34/799108534.db2.gz YWPYXWJJVABCCP-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCO)CC1 ZINC001028117556 799110298 /nfs/dbraw/zinc/11/02/98/799110298.db2.gz QVPDDZNWZWJWOY-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028112865 799110666 /nfs/dbraw/zinc/11/06/66/799110666.db2.gz YKEVIKAHUPQUNV-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028112865 799110669 /nfs/dbraw/zinc/11/06/69/799110669.db2.gz YKEVIKAHUPQUNV-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028117670 799111366 /nfs/dbraw/zinc/11/13/66/799111366.db2.gz ROFBEJDOEQFKRJ-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028117670 799111369 /nfs/dbraw/zinc/11/13/69/799111369.db2.gz ROFBEJDOEQFKRJ-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC001028320567 799122915 /nfs/dbraw/zinc/12/29/15/799122915.db2.gz SOKWOFSEJCEBMB-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001028320567 799122918 /nfs/dbraw/zinc/12/29/18/799122918.db2.gz SOKWOFSEJCEBMB-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001028320567 799122921 /nfs/dbraw/zinc/12/29/21/799122921.db2.gz SOKWOFSEJCEBMB-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCO)C1 ZINC001028318640 799123095 /nfs/dbraw/zinc/12/30/95/799123095.db2.gz BATJQNGOLJGEMI-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCO)C1 ZINC001028318640 799123097 /nfs/dbraw/zinc/12/30/97/799123097.db2.gz BATJQNGOLJGEMI-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCO)C1 ZINC001028445919 799138521 /nfs/dbraw/zinc/13/85/21/799138521.db2.gz XHUAOPZIERXUDQ-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001028445919 799138523 /nfs/dbraw/zinc/13/85/23/799138523.db2.gz XHUAOPZIERXUDQ-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001028445919 799138527 /nfs/dbraw/zinc/13/85/27/799138527.db2.gz XHUAOPZIERXUDQ-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001028539383 799150519 /nfs/dbraw/zinc/15/05/19/799150519.db2.gz VNHZLXLPNRLBSC-JSGCOSHPSA-N 2 1 281.400 -0.241 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001028537739 799150635 /nfs/dbraw/zinc/15/06/35/799150635.db2.gz REHWVRJKKZHPHQ-CHWSQXEVSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001028537739 799150637 /nfs/dbraw/zinc/15/06/37/799150637.db2.gz REHWVRJKKZHPHQ-CHWSQXEVSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028537739 799150641 /nfs/dbraw/zinc/15/06/41/799150641.db2.gz REHWVRJKKZHPHQ-CHWSQXEVSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)CC[N@H+]1C ZINC001028549186 799151211 /nfs/dbraw/zinc/15/12/11/799151211.db2.gz NOUVZKZBKQCPBN-FRRDWIJNSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](CCO)C2)CC[NH+]1C ZINC001028549186 799151215 /nfs/dbraw/zinc/15/12/15/799151215.db2.gz NOUVZKZBKQCPBN-FRRDWIJNSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001028549186 799151219 /nfs/dbraw/zinc/15/12/19/799151219.db2.gz NOUVZKZBKQCPBN-FRRDWIJNSA-N 2 1 269.389 -0.243 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001028553039 799151560 /nfs/dbraw/zinc/15/15/60/799151560.db2.gz ZFCITQMXJWFVRG-RWMBFGLXSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001028553039 799151565 /nfs/dbraw/zinc/15/15/65/799151565.db2.gz ZFCITQMXJWFVRG-RWMBFGLXSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001028553039 799151570 /nfs/dbraw/zinc/15/15/70/799151570.db2.gz ZFCITQMXJWFVRG-RWMBFGLXSA-N 2 1 296.415 -0.360 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001028778192 799169516 /nfs/dbraw/zinc/16/95/16/799169516.db2.gz CWQJJRXYYMBVDR-LLVKDONJSA-N 2 1 282.388 -0.748 20 0 CBADMP NC(=O)C[N@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028933629 799181945 /nfs/dbraw/zinc/18/19/45/799181945.db2.gz ROXHZADBANTKQF-NSHDSACASA-N 2 1 280.372 -0.994 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001029004199 799186051 /nfs/dbraw/zinc/18/60/51/799186051.db2.gz UTGRDBIPKMZQBV-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001029004199 799186054 /nfs/dbraw/zinc/18/60/54/799186054.db2.gz UTGRDBIPKMZQBV-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001029004199 799186057 /nfs/dbraw/zinc/18/60/57/799186057.db2.gz UTGRDBIPKMZQBV-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029309431 799194814 /nfs/dbraw/zinc/19/48/14/799194814.db2.gz NOZSQFYUWXQNDF-QLFBSQMISA-N 2 1 293.411 -0.004 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001029474745 799200455 /nfs/dbraw/zinc/20/04/55/799200455.db2.gz IATCDMFPDLSSHI-FQUUOJAGSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029474745 799200458 /nfs/dbraw/zinc/20/04/58/799200458.db2.gz IATCDMFPDLSSHI-FQUUOJAGSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029474745 799200461 /nfs/dbraw/zinc/20/04/61/799200461.db2.gz IATCDMFPDLSSHI-FQUUOJAGSA-N 2 1 281.400 -0.148 20 0 CBADMP CN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1=O ZINC001031585538 799514003 /nfs/dbraw/zinc/51/40/03/799514003.db2.gz YURHJVXXBUKVBA-STQMWFEESA-N 2 1 294.399 -0.641 20 0 CBADMP CN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC001031585538 799514007 /nfs/dbraw/zinc/51/40/07/799514007.db2.gz YURHJVXXBUKVBA-STQMWFEESA-N 2 1 294.399 -0.641 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031593317 799515668 /nfs/dbraw/zinc/51/56/68/799515668.db2.gz CTZXPBITAQYAOY-LBPRGKRZSA-N 2 1 271.361 -0.989 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031593317 799515672 /nfs/dbraw/zinc/51/56/72/799515672.db2.gz CTZXPBITAQYAOY-LBPRGKRZSA-N 2 1 271.361 -0.989 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCO)C2)CC[N@H+]1C ZINC001031684354 799532566 /nfs/dbraw/zinc/53/25/66/799532566.db2.gz LZBHNJGVDLXBOW-QWHCGFSZSA-N 2 1 269.389 -0.243 20 0 CBADMP O=C(NCC1C[NH+](CCCO)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031688224 799533001 /nfs/dbraw/zinc/53/30/01/799533001.db2.gz ATDJGQLZPRXDJQ-KBPBESRZSA-N 2 1 297.399 -0.720 20 0 CBADMP C[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765881 799542503 /nfs/dbraw/zinc/54/25/03/799542503.db2.gz SPUGTDFHVNTBTD-DMDPSCGWSA-N 2 1 285.388 -0.866 20 0 CBADMP C[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765881 799542508 /nfs/dbraw/zinc/54/25/08/799542508.db2.gz SPUGTDFHVNTBTD-DMDPSCGWSA-N 2 1 285.388 -0.866 20 0 CBADMP CN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001032186162 799590374 /nfs/dbraw/zinc/59/03/74/799590374.db2.gz JKRIXLZPHGEBPU-OLZOCXBDSA-N 2 1 294.399 -0.783 20 0 CBADMP CN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001032186162 799590377 /nfs/dbraw/zinc/59/03/77/799590377.db2.gz JKRIXLZPHGEBPU-OLZOCXBDSA-N 2 1 294.399 -0.783 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC001032183015 799590510 /nfs/dbraw/zinc/59/05/10/799590510.db2.gz XMBAWEVAXWHHKJ-STQMWFEESA-N 2 1 294.399 -0.735 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC001032183015 799590514 /nfs/dbraw/zinc/59/05/14/799590514.db2.gz XMBAWEVAXWHHKJ-STQMWFEESA-N 2 1 294.399 -0.735 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC001032183013 799590629 /nfs/dbraw/zinc/59/06/29/799590629.db2.gz XMBAWEVAXWHHKJ-OLZOCXBDSA-N 2 1 294.399 -0.735 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC001032183013 799590635 /nfs/dbraw/zinc/59/06/35/799590635.db2.gz XMBAWEVAXWHHKJ-OLZOCXBDSA-N 2 1 294.399 -0.735 20 0 CBADMP Cn1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001032182724 799591211 /nfs/dbraw/zinc/59/12/11/799591211.db2.gz QHQDUJSLNUBRPA-AWEZNQCLSA-N 2 1 291.399 -0.080 20 0 CBADMP Cn1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001032182724 799591220 /nfs/dbraw/zinc/59/12/20/799591220.db2.gz QHQDUJSLNUBRPA-AWEZNQCLSA-N 2 1 291.399 -0.080 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@H](C)COC)C2)C1 ZINC001032197493 799591955 /nfs/dbraw/zinc/59/19/55/799591955.db2.gz LOJKQDKQFZPYEU-OCCSQVGLSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@H](C)COC)C2)C1 ZINC001032197493 799591957 /nfs/dbraw/zinc/59/19/57/799591957.db2.gz LOJKQDKQFZPYEU-OCCSQVGLSA-N 2 1 299.415 -0.210 20 0 CBADMP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032406277 799624790 /nfs/dbraw/zinc/62/47/90/799624790.db2.gz WQXJPJDHWFREPM-IHRRRGAJSA-N 2 1 279.384 -0.394 20 0 CBADMP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032406277 799624794 /nfs/dbraw/zinc/62/47/94/799624794.db2.gz WQXJPJDHWFREPM-IHRRRGAJSA-N 2 1 279.384 -0.394 20 0 CBADMP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032629467 799651224 /nfs/dbraw/zinc/65/12/24/799651224.db2.gz XLKXGZPSQJNMMQ-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032629467 799651226 /nfs/dbraw/zinc/65/12/26/799651226.db2.gz XLKXGZPSQJNMMQ-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)C1 ZINC001032629467 799651231 /nfs/dbraw/zinc/65/12/31/799651231.db2.gz XLKXGZPSQJNMMQ-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)C1 ZINC001032629467 799651234 /nfs/dbraw/zinc/65/12/34/799651234.db2.gz XLKXGZPSQJNMMQ-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032731503 799662504 /nfs/dbraw/zinc/66/25/04/799662504.db2.gz LRWUKJQKMJZINV-IHRRRGAJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)C1 ZINC001032731503 799662507 /nfs/dbraw/zinc/66/25/07/799662507.db2.gz LRWUKJQKMJZINV-IHRRRGAJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)C1 ZINC001032731503 799662510 /nfs/dbraw/zinc/66/25/10/799662510.db2.gz LRWUKJQKMJZINV-IHRRRGAJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032731504 799662567 /nfs/dbraw/zinc/66/25/67/799662567.db2.gz LRWUKJQKMJZINV-RDBSUJKOSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)C1 ZINC001032731504 799662569 /nfs/dbraw/zinc/66/25/69/799662569.db2.gz LRWUKJQKMJZINV-RDBSUJKOSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)C1 ZINC001032731504 799662573 /nfs/dbraw/zinc/66/25/73/799662573.db2.gz LRWUKJQKMJZINV-RDBSUJKOSA-N 2 1 281.400 -0.004 20 0 CBADMP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032780731 799666844 /nfs/dbraw/zinc/66/68/44/799666844.db2.gz BZRJYGVFLMLDNE-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032780731 799666846 /nfs/dbraw/zinc/66/68/46/799666846.db2.gz BZRJYGVFLMLDNE-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP COCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001032780731 799666847 /nfs/dbraw/zinc/66/68/47/799666847.db2.gz BZRJYGVFLMLDNE-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP COCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001032780731 799666848 /nfs/dbraw/zinc/66/68/48/799666848.db2.gz BZRJYGVFLMLDNE-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032782937 799667560 /nfs/dbraw/zinc/66/75/60/799667560.db2.gz OFGLCPHWTUAONZ-STQMWFEESA-N 2 1 267.373 -0.250 20 0 CBADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032782937 799667564 /nfs/dbraw/zinc/66/75/64/799667564.db2.gz OFGLCPHWTUAONZ-STQMWFEESA-N 2 1 267.373 -0.250 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032830180 799673118 /nfs/dbraw/zinc/67/31/18/799673118.db2.gz UNNBABOICQRBAA-RNJOBUHISA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032830180 799673120 /nfs/dbraw/zinc/67/31/20/799673120.db2.gz UNNBABOICQRBAA-RNJOBUHISA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001032830180 799673122 /nfs/dbraw/zinc/67/31/22/799673122.db2.gz UNNBABOICQRBAA-RNJOBUHISA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001032830180 799673124 /nfs/dbraw/zinc/67/31/24/799673124.db2.gz UNNBABOICQRBAA-RNJOBUHISA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828608 799674097 /nfs/dbraw/zinc/67/40/97/799674097.db2.gz XSEUILGLQGLRLC-GRYCIOLGSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032828608 799674099 /nfs/dbraw/zinc/67/40/99/799674099.db2.gz XSEUILGLQGLRLC-GRYCIOLGSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032828608 799674100 /nfs/dbraw/zinc/67/41/00/799674100.db2.gz XSEUILGLQGLRLC-GRYCIOLGSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838430 799677582 /nfs/dbraw/zinc/67/75/82/799677582.db2.gz XSEUILGLQGLRLC-IJLUTSLNSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032838430 799677585 /nfs/dbraw/zinc/67/75/85/799677585.db2.gz XSEUILGLQGLRLC-IJLUTSLNSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032838430 799677590 /nfs/dbraw/zinc/67/75/90/799677590.db2.gz XSEUILGLQGLRLC-IJLUTSLNSA-N 2 1 255.362 -0.348 20 0 CBADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCO)C1 ZINC001032959108 799697732 /nfs/dbraw/zinc/69/77/32/799697732.db2.gz CZJBMTMLEJKZSJ-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCO)C1 ZINC001032959108 799697733 /nfs/dbraw/zinc/69/77/33/799697733.db2.gz CZJBMTMLEJKZSJ-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCO)C1 ZINC001032959108 799697737 /nfs/dbraw/zinc/69/77/37/799697737.db2.gz CZJBMTMLEJKZSJ-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CCO)C1 ZINC001033199580 799726382 /nfs/dbraw/zinc/72/63/82/799726382.db2.gz VRLXLEBTMPUILD-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CCO)C1 ZINC001033199580 799726385 /nfs/dbraw/zinc/72/63/85/799726385.db2.gz VRLXLEBTMPUILD-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CCO)C1 ZINC001033199580 799726388 /nfs/dbraw/zinc/72/63/88/799726388.db2.gz VRLXLEBTMPUILD-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033382172 799750300 /nfs/dbraw/zinc/75/03/00/799750300.db2.gz AHTMAXNAJQLQIN-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033382172 799750305 /nfs/dbraw/zinc/75/03/05/799750305.db2.gz AHTMAXNAJQLQIN-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593916 799768548 /nfs/dbraw/zinc/76/85/48/799768548.db2.gz OFBFMGVUPYYKGD-RYUDHWBXSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593916 799768556 /nfs/dbraw/zinc/76/85/56/799768556.db2.gz OFBFMGVUPYYKGD-RYUDHWBXSA-N 2 1 294.399 -0.511 20 0 CBADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033595751 799769913 /nfs/dbraw/zinc/76/99/13/799769913.db2.gz UWFVGKSDVNHVIM-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCO)C1 ZINC001033595751 799769916 /nfs/dbraw/zinc/76/99/16/799769916.db2.gz UWFVGKSDVNHVIM-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCO)C1 ZINC001033595751 799769919 /nfs/dbraw/zinc/76/99/19/799769919.db2.gz UWFVGKSDVNHVIM-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033595746 799770160 /nfs/dbraw/zinc/77/01/60/799770160.db2.gz UWFVGKSDVNHVIM-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCO)C1 ZINC001033595746 799770163 /nfs/dbraw/zinc/77/01/63/799770163.db2.gz UWFVGKSDVNHVIM-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCO)C1 ZINC001033595746 799770168 /nfs/dbraw/zinc/77/01/68/799770168.db2.gz UWFVGKSDVNHVIM-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001033671828 799779113 /nfs/dbraw/zinc/77/91/13/799779113.db2.gz JYQJGLPPPJBQHH-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001033671828 799779117 /nfs/dbraw/zinc/77/91/17/799779117.db2.gz JYQJGLPPPJBQHH-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001033671828 799779121 /nfs/dbraw/zinc/77/91/21/799779121.db2.gz JYQJGLPPPJBQHH-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001033671828 799779122 /nfs/dbraw/zinc/77/91/22/799779122.db2.gz JYQJGLPPPJBQHH-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034491584 799844809 /nfs/dbraw/zinc/84/48/09/799844809.db2.gz VSYDBAZLBRUSLN-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034491584 799844812 /nfs/dbraw/zinc/84/48/12/799844812.db2.gz VSYDBAZLBRUSLN-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)C1 ZINC001034491584 799844817 /nfs/dbraw/zinc/84/48/17/799844817.db2.gz VSYDBAZLBRUSLN-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)C1 ZINC001034491584 799844822 /nfs/dbraw/zinc/84/48/22/799844822.db2.gz VSYDBAZLBRUSLN-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)C1 ZINC001034617535 799848307 /nfs/dbraw/zinc/84/83/07/799848307.db2.gz QTSZTIQAEAXJIF-JHJVBQTASA-N 2 1 285.388 -0.674 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)C1 ZINC001034617535 799848313 /nfs/dbraw/zinc/84/83/13/799848313.db2.gz QTSZTIQAEAXJIF-JHJVBQTASA-N 2 1 285.388 -0.674 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034674023 799851979 /nfs/dbraw/zinc/85/19/79/799851979.db2.gz JRIJJWNPTVMTGF-AVGNSLFASA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001034793400 799855712 /nfs/dbraw/zinc/85/57/12/799855712.db2.gz ZMCCAIGTRRWRFN-CYDGBPFRSA-N 2 1 296.415 -0.171 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034795312 799856500 /nfs/dbraw/zinc/85/65/00/799856500.db2.gz ZXILGXNEBKXQDF-HAQNSBGRSA-N 2 1 293.371 -0.306 20 0 CBADMP CN1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](CC3CC3)CCO2)C1 ZINC001035325841 799891383 /nfs/dbraw/zinc/89/13/83/799891383.db2.gz DCAQCQXFVQNNMN-UONOGXRCSA-N 2 1 297.399 -0.456 20 0 CBADMP CN1CCO[C@@H](C(=O)NC[C@H]2CN(CC3CC3)CCO2)C1 ZINC001035325841 799891389 /nfs/dbraw/zinc/89/13/89/799891389.db2.gz DCAQCQXFVQNNMN-UONOGXRCSA-N 2 1 297.399 -0.456 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCO2)CC[N@@H+]1C ZINC001035370488 799910211 /nfs/dbraw/zinc/91/02/11/799910211.db2.gz AFHMGWOWBYVSMS-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCO2)CC[N@H+]1C ZINC001035370488 799910217 /nfs/dbraw/zinc/91/02/17/799910217.db2.gz AFHMGWOWBYVSMS-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)CC[NH+]1C ZINC001035370488 799910227 /nfs/dbraw/zinc/91/02/27/799910227.db2.gz AFHMGWOWBYVSMS-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)CC[NH+]1C ZINC001035370488 799910232 /nfs/dbraw/zinc/91/02/32/799910232.db2.gz AFHMGWOWBYVSMS-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](CCCO)CCO2)C1 ZINC001035613371 799954140 /nfs/dbraw/zinc/95/41/40/799954140.db2.gz IZGCISCFGLBLBW-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](CCCO)CCO2)C1 ZINC001035613371 799954145 /nfs/dbraw/zinc/95/41/45/799954145.db2.gz IZGCISCFGLBLBW-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)C1 ZINC001035613371 799954151 /nfs/dbraw/zinc/95/41/51/799954151.db2.gz IZGCISCFGLBLBW-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)C1 ZINC001035613371 799954158 /nfs/dbraw/zinc/95/41/58/799954158.db2.gz IZGCISCFGLBLBW-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036064050 799976355 /nfs/dbraw/zinc/97/63/55/799976355.db2.gz LJSZPKQVCSSBLB-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1[NH2+]CCO ZINC001036219323 799983856 /nfs/dbraw/zinc/98/38/56/799983856.db2.gz PSSFHCIBLIXXKV-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001038134132 800061024 /nfs/dbraw/zinc/06/10/24/800061024.db2.gz DYQMZZSZBNSYQB-VXGBXAGGSA-N 2 1 271.361 -0.846 20 0 CBADMP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001038134132 800061027 /nfs/dbraw/zinc/06/10/27/800061027.db2.gz DYQMZZSZBNSYQB-VXGBXAGGSA-N 2 1 271.361 -0.846 20 0 CBADMP CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038141223 800064004 /nfs/dbraw/zinc/06/40/04/800064004.db2.gz KQZRJQNJZTZRLQ-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038141223 800064011 /nfs/dbraw/zinc/06/40/11/800064011.db2.gz KQZRJQNJZTZRLQ-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038141223 800064018 /nfs/dbraw/zinc/06/40/18/800064018.db2.gz KQZRJQNJZTZRLQ-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038141223 800064023 /nfs/dbraw/zinc/06/40/23/800064023.db2.gz KQZRJQNJZTZRLQ-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+]1CCO)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038539215 800127114 /nfs/dbraw/zinc/12/71/14/800127114.db2.gz ZWSDPUJOPHQTFB-FMPXUHTOSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(NC[C@@H]1CC[N@@H+]1CCO)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038539215 800127116 /nfs/dbraw/zinc/12/71/16/800127116.db2.gz ZWSDPUJOPHQTFB-FMPXUHTOSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(NC[C@@H]1CC[NH+]1CCO)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038539215 800127121 /nfs/dbraw/zinc/12/71/21/800127121.db2.gz ZWSDPUJOPHQTFB-FMPXUHTOSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(NC[C@@H]1CC[NH+]1CCO)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038539215 800127124 /nfs/dbraw/zinc/12/71/24/800127124.db2.gz ZWSDPUJOPHQTFB-FMPXUHTOSA-N 2 1 295.383 -0.968 20 0 CBADMP COCC[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038918919 801266349 /nfs/dbraw/zinc/26/63/49/801266349.db2.gz FWJVQJJNXDUURQ-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP COCC[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038918919 801266354 /nfs/dbraw/zinc/26/63/54/801266354.db2.gz FWJVQJJNXDUURQ-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001039028793 801282149 /nfs/dbraw/zinc/28/21/49/801282149.db2.gz QWVKBLXLJKWCNL-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCCO)C1 ZINC001039028793 801282152 /nfs/dbraw/zinc/28/21/52/801282152.db2.gz QWVKBLXLJKWCNL-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CCCO)C1 ZINC001039028793 801282157 /nfs/dbraw/zinc/28/21/57/801282157.db2.gz QWVKBLXLJKWCNL-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028284 801282378 /nfs/dbraw/zinc/28/23/78/801282378.db2.gz NBESGDUBVCDAID-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP COCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039028284 801282383 /nfs/dbraw/zinc/28/23/83/801282383.db2.gz NBESGDUBVCDAID-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP COCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039028284 801282386 /nfs/dbraw/zinc/28/23/86/801282386.db2.gz NBESGDUBVCDAID-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001041141928 801369404 /nfs/dbraw/zinc/36/94/04/801369404.db2.gz RRVODYSFGVLBFJ-WFASDCNBSA-N 2 1 294.399 -0.510 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001041141928 801369410 /nfs/dbraw/zinc/36/94/10/801369410.db2.gz RRVODYSFGVLBFJ-WFASDCNBSA-N 2 1 294.399 -0.510 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001041141928 801369419 /nfs/dbraw/zinc/36/94/19/801369419.db2.gz RRVODYSFGVLBFJ-WFASDCNBSA-N 2 1 294.399 -0.510 20 0 CBADMP O=C(Cc1ncc[nH]1)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041758960 801419056 /nfs/dbraw/zinc/41/90/56/801419056.db2.gz OFKXRBFPAOVOBL-AWEZNQCLSA-N 2 1 278.356 -0.131 20 0 CBADMP O=C(N1CC[C@@]2(CC[N@H+](CCO)C2)C1)C12CC[NH+](CC1)C2 ZINC001041789610 801421618 /nfs/dbraw/zinc/42/16/18/801421618.db2.gz RYTCOZYISPSTMO-OAHLLOKOSA-N 2 1 293.411 -0.001 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CC(N)=O)C3)C2)C1 ZINC001041829570 801421670 /nfs/dbraw/zinc/42/16/70/801421670.db2.gz YBIHLWYNQIPNMA-IUODEOHRSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)C1 ZINC001041829570 801421673 /nfs/dbraw/zinc/42/16/73/801421673.db2.gz YBIHLWYNQIPNMA-IUODEOHRSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)C1 ZINC001041829570 801421677 /nfs/dbraw/zinc/42/16/77/801421677.db2.gz YBIHLWYNQIPNMA-IUODEOHRSA-N 2 1 294.399 -0.652 20 0 CBADMP NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042358499 801458950 /nfs/dbraw/zinc/45/89/50/801458950.db2.gz RVQJDBAMBUFLOV-OLZOCXBDSA-N 2 1 294.399 -0.510 20 0 CBADMP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044292509 801637063 /nfs/dbraw/zinc/63/70/63/801637063.db2.gz OPQIZIOPHOBJJU-MNOVXSKESA-N 2 1 255.362 -0.539 20 0 CBADMP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001044292509 801637068 /nfs/dbraw/zinc/63/70/68/801637068.db2.gz OPQIZIOPHOBJJU-MNOVXSKESA-N 2 1 255.362 -0.539 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001044780621 801668580 /nfs/dbraw/zinc/66/85/80/801668580.db2.gz QLTPSYTZHACARL-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2(C)CC[NH+](CCO)CC2)C1 ZINC001045640221 801707572 /nfs/dbraw/zinc/70/75/72/801707572.db2.gz IYWHCSCMUCONHQ-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001045638961 801708455 /nfs/dbraw/zinc/70/84/55/801708455.db2.gz SZNYSQATZSCENF-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045638961 801708462 /nfs/dbraw/zinc/70/84/62/801708462.db2.gz SZNYSQATZSCENF-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046831058 801795285 /nfs/dbraw/zinc/79/52/85/801795285.db2.gz FDKUUCQMFBEXRK-FZMZJTMJSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046831058 801795290 /nfs/dbraw/zinc/79/52/90/801795290.db2.gz FDKUUCQMFBEXRK-FZMZJTMJSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046831058 801795295 /nfs/dbraw/zinc/79/52/95/801795295.db2.gz FDKUUCQMFBEXRK-FZMZJTMJSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046831058 801795298 /nfs/dbraw/zinc/79/52/98/801795298.db2.gz FDKUUCQMFBEXRK-FZMZJTMJSA-N 2 1 282.388 -0.735 20 0 CBADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047333512 801839153 /nfs/dbraw/zinc/83/91/53/801839153.db2.gz HTDGMODENRARMQ-IHRRRGAJSA-N 2 1 297.399 -0.770 20 0 CBADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047333512 801839161 /nfs/dbraw/zinc/83/91/61/801839161.db2.gz HTDGMODENRARMQ-IHRRRGAJSA-N 2 1 297.399 -0.770 20 0 CBADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001047333512 801839169 /nfs/dbraw/zinc/83/91/69/801839169.db2.gz HTDGMODENRARMQ-IHRRRGAJSA-N 2 1 297.399 -0.770 20 0 CBADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001047333512 801839174 /nfs/dbraw/zinc/83/91/74/801839174.db2.gz HTDGMODENRARMQ-IHRRRGAJSA-N 2 1 297.399 -0.770 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCCO)C[C@@H]2O)CC[N@H+]1C ZINC001047384885 801857290 /nfs/dbraw/zinc/85/72/90/801857290.db2.gz LSZJOVDXAVLFCB-MQYQWHSLSA-N 2 1 299.415 -0.788 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](CCCO)C[C@@H]2O)CC[NH+]1C ZINC001047384885 801857295 /nfs/dbraw/zinc/85/72/95/801857295.db2.gz LSZJOVDXAVLFCB-MQYQWHSLSA-N 2 1 299.415 -0.788 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)CC[NH+]1C ZINC001047384885 801857302 /nfs/dbraw/zinc/85/73/02/801857302.db2.gz LSZJOVDXAVLFCB-MQYQWHSLSA-N 2 1 299.415 -0.788 20 0 CBADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047441364 801873909 /nfs/dbraw/zinc/87/39/09/801873909.db2.gz AWUFXRPVXFRGRG-STQMWFEESA-N 2 1 297.399 -0.889 20 0 CBADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047441364 801873915 /nfs/dbraw/zinc/87/39/15/801873915.db2.gz AWUFXRPVXFRGRG-STQMWFEESA-N 2 1 297.399 -0.889 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047529313 801893975 /nfs/dbraw/zinc/89/39/75/801893975.db2.gz YDFOVVJAZJVBHR-RDBSUJKOSA-N 2 1 299.415 -0.643 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001047528725 801895498 /nfs/dbraw/zinc/89/54/98/801895498.db2.gz YWIQAZRLJGOSCQ-AGIUHOORSA-N 2 1 269.389 -0.148 20 0 CBADMP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001047528363 801895704 /nfs/dbraw/zinc/89/57/04/801895704.db2.gz PCQLJVNOUPSSDR-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047545710 801898534 /nfs/dbraw/zinc/89/85/34/801898534.db2.gz WDBQJNDJJZPXNL-RYUDHWBXSA-N 2 1 266.345 -0.134 20 0 CBADMP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047595657 801908677 /nfs/dbraw/zinc/90/86/77/801908677.db2.gz IRWKXNIHYMPLJA-RDBSUJKOSA-N 2 1 299.415 -0.522 20 0 CBADMP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001047595657 801908680 /nfs/dbraw/zinc/90/86/80/801908680.db2.gz IRWKXNIHYMPLJA-RDBSUJKOSA-N 2 1 299.415 -0.522 20 0 CBADMP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001047595657 801908686 /nfs/dbraw/zinc/90/86/86/801908686.db2.gz IRWKXNIHYMPLJA-RDBSUJKOSA-N 2 1 299.415 -0.522 20 0 CBADMP Cc1nc[nH]c1CC(=O)N(C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047611823 801912135 /nfs/dbraw/zinc/91/21/35/801912135.db2.gz LGAOOJRLSPIWKR-STQMWFEESA-N 2 1 296.371 -0.853 20 0 CBADMP CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047628605 801912694 /nfs/dbraw/zinc/91/26/94/801912694.db2.gz HLKRSKWHXASOPW-AGIUHOORSA-N 2 1 269.389 -0.148 20 0 CBADMP CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001047628605 801912698 /nfs/dbraw/zinc/91/26/98/801912698.db2.gz HLKRSKWHXASOPW-AGIUHOORSA-N 2 1 269.389 -0.148 20 0 CBADMP CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047628605 801912704 /nfs/dbraw/zinc/91/27/04/801912704.db2.gz HLKRSKWHXASOPW-AGIUHOORSA-N 2 1 269.389 -0.148 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)C[C@@H]2C1 ZINC001048724396 801959241 /nfs/dbraw/zinc/95/92/41/801959241.db2.gz YZJHWJCNIWHNLX-MJBXVCDLSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001048724396 801959245 /nfs/dbraw/zinc/95/92/45/801959245.db2.gz YZJHWJCNIWHNLX-MJBXVCDLSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001048724396 801959248 /nfs/dbraw/zinc/95/92/48/801959248.db2.gz YZJHWJCNIWHNLX-MJBXVCDLSA-N 2 1 281.400 -0.147 20 0 CBADMP CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739588 801960926 /nfs/dbraw/zinc/96/09/26/801960926.db2.gz LUFIBHSNXRKIOH-XQQFMLRXSA-N 2 1 267.373 -0.273 20 0 CBADMP CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739588 801960932 /nfs/dbraw/zinc/96/09/32/801960932.db2.gz LUFIBHSNXRKIOH-XQQFMLRXSA-N 2 1 267.373 -0.273 20 0 CBADMP CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048739588 801960939 /nfs/dbraw/zinc/96/09/39/801960939.db2.gz LUFIBHSNXRKIOH-XQQFMLRXSA-N 2 1 267.373 -0.273 20 0 CBADMP CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048739588 801960944 /nfs/dbraw/zinc/96/09/44/801960944.db2.gz LUFIBHSNXRKIOH-XQQFMLRXSA-N 2 1 267.373 -0.273 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCCO)C[C@@H]3C2)C1 ZINC001048739386 801961544 /nfs/dbraw/zinc/96/15/44/801961544.db2.gz JRYWMQPDDNSLEP-MJBXVCDLSA-N 2 1 297.399 -0.910 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCCO)C[C@@H]3C2)C1 ZINC001048739386 801961548 /nfs/dbraw/zinc/96/15/48/801961548.db2.gz JRYWMQPDDNSLEP-MJBXVCDLSA-N 2 1 297.399 -0.910 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCCO)C[C@@H]3C2)C1 ZINC001048739386 801961551 /nfs/dbraw/zinc/96/15/51/801961551.db2.gz JRYWMQPDDNSLEP-MJBXVCDLSA-N 2 1 297.399 -0.910 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)C1 ZINC001048739386 801961555 /nfs/dbraw/zinc/96/15/55/801961555.db2.gz JRYWMQPDDNSLEP-MJBXVCDLSA-N 2 1 297.399 -0.910 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)C1CC1 ZINC001048863956 801976434 /nfs/dbraw/zinc/97/64/34/801976434.db2.gz QXGFSOCJJYVBCK-SCRDCRAPSA-N 2 1 294.399 -0.798 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001048894522 801978637 /nfs/dbraw/zinc/97/86/37/801978637.db2.gz DTOHWGDOOVHZFV-XQQFMLRXSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001048894522 801978641 /nfs/dbraw/zinc/97/86/41/801978641.db2.gz DTOHWGDOOVHZFV-XQQFMLRXSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001048894522 801978644 /nfs/dbraw/zinc/97/86/44/801978644.db2.gz DTOHWGDOOVHZFV-XQQFMLRXSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CC1 ZINC001049025192 801993393 /nfs/dbraw/zinc/99/33/93/801993393.db2.gz ONTXCTASUCVOJZ-BETUJISGSA-N 2 1 294.399 -0.796 20 0 CBADMP 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 802006516 /nfs/dbraw/zinc/00/65/16/802006516.db2.gz CLBXVPKQTLGLDD-QNWHQSFQSA-N 2 1 294.399 -0.798 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049212590 802006523 /nfs/dbraw/zinc/00/65/23/802006523.db2.gz CLBXVPKQTLGLDD-QNWHQSFQSA-N 2 1 294.399 -0.798 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049217337 802009332 /nfs/dbraw/zinc/00/93/32/802009332.db2.gz MYWJDFNYNVSTBR-MELADBBJSA-N 2 1 281.400 -0.147 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)CC3)C1 ZINC001050753944 802071712 /nfs/dbraw/zinc/07/17/12/802071712.db2.gz JKLZKNINRKZUPM-GFCCVEGCSA-N 2 1 294.399 -0.652 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCO)CC3)C1 ZINC001050753235 802072236 /nfs/dbraw/zinc/07/22/36/802072236.db2.gz FYIANKMWLGPRGU-CYBMUJFWSA-N 2 1 281.400 -0.145 20 0 CBADMP CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001051515525 802150283 /nfs/dbraw/zinc/15/02/83/802150283.db2.gz QNGPYZCHSLYNSA-CHWSQXEVSA-N 2 1 285.388 -0.458 20 0 CBADMP CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001051515525 802150285 /nfs/dbraw/zinc/15/02/85/802150285.db2.gz QNGPYZCHSLYNSA-CHWSQXEVSA-N 2 1 285.388 -0.458 20 0 CBADMP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001051515531 802150477 /nfs/dbraw/zinc/15/04/77/802150477.db2.gz QNGPYZCHSLYNSA-STQMWFEESA-N 2 1 285.388 -0.458 20 0 CBADMP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001051515531 802150478 /nfs/dbraw/zinc/15/04/78/802150478.db2.gz QNGPYZCHSLYNSA-STQMWFEESA-N 2 1 285.388 -0.458 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CCO1 ZINC001051786207 802166762 /nfs/dbraw/zinc/16/67/62/802166762.db2.gz RYRLKZOXRQGHNM-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CCO1 ZINC001051786207 802166766 /nfs/dbraw/zinc/16/67/66/802166766.db2.gz RYRLKZOXRQGHNM-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCO)CC2)C1 ZINC001052276322 802191545 /nfs/dbraw/zinc/19/15/45/802191545.db2.gz AMIKZRHXBXGCJH-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCO)CC2)C1 ZINC001052276322 802191548 /nfs/dbraw/zinc/19/15/48/802191548.db2.gz AMIKZRHXBXGCJH-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCO)CC2)C1 ZINC001052276322 802191554 /nfs/dbraw/zinc/19/15/54/802191554.db2.gz AMIKZRHXBXGCJH-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)C1 ZINC001052276322 802191559 /nfs/dbraw/zinc/19/15/59/802191559.db2.gz AMIKZRHXBXGCJH-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)CC[N@H+]1C ZINC001052391741 802197873 /nfs/dbraw/zinc/19/78/73/802197873.db2.gz QVICENFTMJVRDG-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)CC[NH+]1C ZINC001052391741 802197874 /nfs/dbraw/zinc/19/78/74/802197874.db2.gz QVICENFTMJVRDG-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)CC[NH+]1C ZINC001052391741 802197878 /nfs/dbraw/zinc/19/78/78/802197878.db2.gz QVICENFTMJVRDG-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052712655 802214187 /nfs/dbraw/zinc/21/41/87/802214187.db2.gz MQLWOHSBCSINEN-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052712655 802214194 /nfs/dbraw/zinc/21/41/94/802214194.db2.gz MQLWOHSBCSINEN-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052712655 802214202 /nfs/dbraw/zinc/21/42/02/802214202.db2.gz MQLWOHSBCSINEN-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CCO)CC2)C1 ZINC001052934284 802224799 /nfs/dbraw/zinc/22/47/99/802224799.db2.gz ISNIOZHKSBYXDK-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CCO)CC2)C1 ZINC001052934284 802224805 /nfs/dbraw/zinc/22/48/05/802224805.db2.gz ISNIOZHKSBYXDK-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCO)CC2)C1 ZINC001052934284 802224812 /nfs/dbraw/zinc/22/48/12/802224812.db2.gz ISNIOZHKSBYXDK-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216665 814934947 /nfs/dbraw/zinc/93/49/47/814934947.db2.gz QPAJVYXBWRXJQJ-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC001122367755 813154318 /nfs/dbraw/zinc/15/43/18/813154318.db2.gz BUKDQBBXEHKADQ-WOPDTQHZSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCOCCO)C1 ZINC001133845269 814304870 /nfs/dbraw/zinc/30/48/70/814304870.db2.gz ADQWZYSBPZCJNU-LBPRGKRZSA-N 2 1 273.377 -0.957 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCOCCO)C1 ZINC001133845268 814305109 /nfs/dbraw/zinc/30/51/09/814305109.db2.gz ADQWZYSBPZCJNU-GFCCVEGCSA-N 2 1 273.377 -0.957 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2ncnn2C)C1 ZINC001133842226 814305159 /nfs/dbraw/zinc/30/51/59/814305159.db2.gz HOALSAHMBPCRDG-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ncnn2C)C1 ZINC001133842226 814305168 /nfs/dbraw/zinc/30/51/68/814305168.db2.gz HOALSAHMBPCRDG-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001148547693 814949221 /nfs/dbraw/zinc/94/92/21/814949221.db2.gz BZTCZBIPUUZTCV-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001148547693 814949224 /nfs/dbraw/zinc/94/92/24/814949224.db2.gz BZTCZBIPUUZTCV-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001148547693 814949229 /nfs/dbraw/zinc/94/92/29/814949229.db2.gz BZTCZBIPUUZTCV-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001148547693 814949234 /nfs/dbraw/zinc/94/92/34/814949234.db2.gz BZTCZBIPUUZTCV-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](CC)C(N)=O ZINC001148577868 814951315 /nfs/dbraw/zinc/95/13/15/814951315.db2.gz HEHPSFZCISNLTP-NSHDSACASA-N 2 1 272.393 -0.312 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001148573748 814951536 /nfs/dbraw/zinc/95/15/36/814951536.db2.gz YDNAKNIRGSJQOR-NSHDSACASA-N 2 1 298.387 -0.771 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001148571172 814951681 /nfs/dbraw/zinc/95/16/81/814951681.db2.gz YXFTWBHNAFURNZ-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCOCCO ZINC001148638477 814953694 /nfs/dbraw/zinc/95/36/94/814953694.db2.gz ISJFUJOZHBJZPN-UHFFFAOYSA-N 2 1 261.366 -0.957 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001148643225 814953713 /nfs/dbraw/zinc/95/37/13/814953713.db2.gz VLTVIGFIEGQJCL-UHFFFAOYSA-N 2 1 293.433 -0.531 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001148638819 814953841 /nfs/dbraw/zinc/95/38/41/814953841.db2.gz TVDMDEQGJDFTJX-UHFFFAOYSA-N 2 1 286.420 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001148651577 814956208 /nfs/dbraw/zinc/95/62/08/814956208.db2.gz JVBILMQSJRTMDF-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001148651577 814956213 /nfs/dbraw/zinc/95/62/13/814956213.db2.gz JVBILMQSJRTMDF-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148651577 814956215 /nfs/dbraw/zinc/95/62/15/814956215.db2.gz JVBILMQSJRTMDF-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP C[C@H](C[NH2+]CCO)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001321652769 803797009 /nfs/dbraw/zinc/79/70/09/803797009.db2.gz PXJXMJAVXPGTGN-LLVKDONJSA-N 2 1 296.371 -0.029 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001321926178 803839376 /nfs/dbraw/zinc/83/93/76/803839376.db2.gz HEHOBLJBLJFNFR-WPRPVWTQSA-N 2 1 267.333 -0.840 20 0 CBADMP CCOCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001322132493 803866169 /nfs/dbraw/zinc/86/61/69/803866169.db2.gz ANIYOHACYXLRKW-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CCOCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001322132493 803866179 /nfs/dbraw/zinc/86/61/79/803866179.db2.gz ANIYOHACYXLRKW-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CCOCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001322132493 803866188 /nfs/dbraw/zinc/86/61/88/803866188.db2.gz ANIYOHACYXLRKW-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CCOCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001322132493 803866197 /nfs/dbraw/zinc/86/61/97/803866197.db2.gz ANIYOHACYXLRKW-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001322442569 803897031 /nfs/dbraw/zinc/89/70/31/803897031.db2.gz MTLSZTNUMYDXLW-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CCO)C2CC2)CC[N@H+]1C ZINC001322999552 803964137 /nfs/dbraw/zinc/96/41/37/803964137.db2.gz IUSPCOKKCYFOEO-RAIGVLPGSA-N 2 1 269.389 -0.197 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCO)C2CC2)CC[N@H+]1C ZINC001322999553 803964322 /nfs/dbraw/zinc/96/43/22/803964322.db2.gz IUSPCOKKCYFOEO-RTXFEEFZSA-N 2 1 269.389 -0.197 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1C[C@@H](C)O ZINC001323359081 804014665 /nfs/dbraw/zinc/01/46/65/804014665.db2.gz ZBFGFOVCDVBINS-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1C[C@@H](C)O ZINC001323359081 804014673 /nfs/dbraw/zinc/01/46/73/804014673.db2.gz ZBFGFOVCDVBINS-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP C[C@H](C(=O)NC1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001323428364 804026228 /nfs/dbraw/zinc/02/62/28/804026228.db2.gz NQEVWTKULKZUAB-GFCCVEGCSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)CC[N@H+]1C ZINC001325371487 804281384 /nfs/dbraw/zinc/28/13/84/804281384.db2.gz XRKCUPBEBGJZRV-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](O)C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001325871380 804329309 /nfs/dbraw/zinc/32/93/09/804329309.db2.gz NBBJNYMXYBYETI-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)CC1 ZINC001150192896 815020682 /nfs/dbraw/zinc/02/06/82/815020682.db2.gz JIRBECQLXCWXAH-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150193478 815020749 /nfs/dbraw/zinc/02/07/49/815020749.db2.gz OKFYBKPCZVCOHV-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241557 815021724 /nfs/dbraw/zinc/02/17/24/815021724.db2.gz PXVKVFPSFYTLQK-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589842 815036352 /nfs/dbraw/zinc/03/63/52/815036352.db2.gz WXUUUYNEEOKIDX-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCO)CCCO1 ZINC001150624571 815037373 /nfs/dbraw/zinc/03/73/73/815037373.db2.gz BTXMDXHCAYNCST-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001150624571 815037380 /nfs/dbraw/zinc/03/73/80/815037380.db2.gz BTXMDXHCAYNCST-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150624571 815037384 /nfs/dbraw/zinc/03/73/84/815037384.db2.gz BTXMDXHCAYNCST-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001150715400 815041385 /nfs/dbraw/zinc/04/13/85/815041385.db2.gz KHVDZPGEUBTKFB-CQSZACIVSA-N 2 1 299.415 -0.328 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151048326 815052125 /nfs/dbraw/zinc/05/21/25/815052125.db2.gz ACDIUNPCVHYKRP-LLVKDONJSA-N 2 1 280.376 -0.545 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151048326 815052132 /nfs/dbraw/zinc/05/21/32/815052132.db2.gz ACDIUNPCVHYKRP-LLVKDONJSA-N 2 1 280.376 -0.545 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049378 815052600 /nfs/dbraw/zinc/05/26/00/815052600.db2.gz MTZDZZQZOWTCKT-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001151049186 815053007 /nfs/dbraw/zinc/05/30/07/815053007.db2.gz JLKSJXBIGFMFKW-GFCCVEGCSA-N 2 1 265.361 -0.422 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151058410 815053775 /nfs/dbraw/zinc/05/37/75/815053775.db2.gz ZASHBLGOKBMMEM-LBPRGKRZSA-N 2 1 273.377 -0.693 20 0 CBADMP CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049581 815054744 /nfs/dbraw/zinc/05/47/44/815054744.db2.gz SNTZYCSATUZZPW-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065138 815055436 /nfs/dbraw/zinc/05/54/36/815055436.db2.gz GZPHMXMTESZCLN-VXGBXAGGSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001151072937 815055909 /nfs/dbraw/zinc/05/59/09/815055909.db2.gz ATSXJPXGJKEMTE-GHMZBOCLSA-N 2 1 282.388 -0.689 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001151065844 815056035 /nfs/dbraw/zinc/05/60/35/815056035.db2.gz NPYDRZXNBYEXGR-NWDGAFQWSA-N 2 1 255.362 -0.320 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCCO[C@@H]2CCOC2)C1 ZINC001151065692 815056391 /nfs/dbraw/zinc/05/63/91/815056391.db2.gz MVAWXHSTFAZTFI-ZIAGYGMSSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001151066575 815057229 /nfs/dbraw/zinc/05/72/29/815057229.db2.gz WMYJSNOGIPPRLA-GFCCVEGCSA-N 2 1 282.388 -0.830 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001151066156 815057369 /nfs/dbraw/zinc/05/73/69/815057369.db2.gz RBQQVDHDBHKDIP-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP COc1cc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)on1 ZINC001151065940 815057777 /nfs/dbraw/zinc/05/77/77/815057777.db2.gz OLWICBKRKWUHQQ-JTQLQIEISA-N 2 1 282.344 -0.159 20 0 CBADMP COc1cc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)on1 ZINC001151065940 815057784 /nfs/dbraw/zinc/05/77/84/815057784.db2.gz OLWICBKRKWUHQQ-JTQLQIEISA-N 2 1 282.344 -0.159 20 0 CBADMP CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151074063 815058562 /nfs/dbraw/zinc/05/85/62/815058562.db2.gz UPBDTOKNANHQHB-OLZOCXBDSA-N 2 1 298.431 -0.195 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CCn1cncn1 ZINC001151122499 815063225 /nfs/dbraw/zinc/06/32/25/815063225.db2.gz RQRRUKRIKVQMPJ-UHFFFAOYSA-N 2 1 277.332 -0.811 20 0 CBADMP CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073934 815058909 /nfs/dbraw/zinc/05/89/09/815058909.db2.gz SSPBUMNAFYIFML-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151074194 815059147 /nfs/dbraw/zinc/05/91/47/815059147.db2.gz XDXCWWHIQGYGOL-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001151121117 815061696 /nfs/dbraw/zinc/06/16/96/815061696.db2.gz ALHDPYRQFDRPEX-UHFFFAOYSA-N 2 1 293.371 -0.576 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)c1nncn1C ZINC001151101607 815062594 /nfs/dbraw/zinc/06/25/94/815062594.db2.gz VCPUXIFHBMUWCN-LLVKDONJSA-N 2 1 280.376 -0.322 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001151147181 815063609 /nfs/dbraw/zinc/06/36/09/815063609.db2.gz HACIZDSMDOZCQV-UHFFFAOYSA-N 2 1 276.344 -0.169 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072553614 805309696 /nfs/dbraw/zinc/30/96/96/805309696.db2.gz FNPIJBNKDPBSET-NSHDSACASA-N 2 1 280.372 -0.900 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072553614 805309705 /nfs/dbraw/zinc/30/97/05/805309705.db2.gz FNPIJBNKDPBSET-NSHDSACASA-N 2 1 280.372 -0.900 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001072553614 805309716 /nfs/dbraw/zinc/30/97/16/805309716.db2.gz FNPIJBNKDPBSET-NSHDSACASA-N 2 1 280.372 -0.900 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001072553614 805309727 /nfs/dbraw/zinc/30/97/27/805309727.db2.gz FNPIJBNKDPBSET-NSHDSACASA-N 2 1 280.372 -0.900 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072553846 805310927 /nfs/dbraw/zinc/31/09/27/805310927.db2.gz LHLNRKFJFGNZPS-OLZOCXBDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001072553846 805310936 /nfs/dbraw/zinc/31/09/36/805310936.db2.gz LHLNRKFJFGNZPS-OLZOCXBDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001072553846 805310945 /nfs/dbraw/zinc/31/09/45/805310945.db2.gz LHLNRKFJFGNZPS-OLZOCXBDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CCO)C3)O1 ZINC001072849348 805339895 /nfs/dbraw/zinc/33/98/95/805339895.db2.gz AYXSXCVLQCXBLT-CHWSQXEVSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CCO)C3)O1 ZINC001072849348 805339901 /nfs/dbraw/zinc/33/99/01/805339901.db2.gz AYXSXCVLQCXBLT-CHWSQXEVSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](CCO)C3)O1 ZINC001072849348 805339909 /nfs/dbraw/zinc/33/99/09/805339909.db2.gz AYXSXCVLQCXBLT-CHWSQXEVSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)O1 ZINC001072849348 805339917 /nfs/dbraw/zinc/33/99/17/805339917.db2.gz AYXSXCVLQCXBLT-CHWSQXEVSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072981959 805352002 /nfs/dbraw/zinc/35/20/02/805352002.db2.gz WURLXZSZJVERCV-QWHCGFSZSA-N 2 1 281.400 -0.289 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072981959 805352012 /nfs/dbraw/zinc/35/20/12/805352012.db2.gz WURLXZSZJVERCV-QWHCGFSZSA-N 2 1 281.400 -0.289 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072981959 805352023 /nfs/dbraw/zinc/35/20/23/805352023.db2.gz WURLXZSZJVERCV-QWHCGFSZSA-N 2 1 281.400 -0.289 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072981417 805353301 /nfs/dbraw/zinc/35/33/01/805353301.db2.gz HJERFDILSRUUIC-RYUDHWBXSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072981417 805353311 /nfs/dbraw/zinc/35/33/11/805353311.db2.gz HJERFDILSRUUIC-RYUDHWBXSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001072981417 805353323 /nfs/dbraw/zinc/35/33/23/805353323.db2.gz HJERFDILSRUUIC-RYUDHWBXSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001072981417 805353333 /nfs/dbraw/zinc/35/33/33/805353333.db2.gz HJERFDILSRUUIC-RYUDHWBXSA-N 2 1 294.399 -0.796 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001073127966 805360459 /nfs/dbraw/zinc/36/04/59/805360459.db2.gz MJSKMOSXWYVMOE-GFCCVEGCSA-N 2 1 294.399 -0.652 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001073127966 805360473 /nfs/dbraw/zinc/36/04/73/805360473.db2.gz MJSKMOSXWYVMOE-GFCCVEGCSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1 ZINC001073127966 805360485 /nfs/dbraw/zinc/36/04/85/805360485.db2.gz MJSKMOSXWYVMOE-GFCCVEGCSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1 ZINC001073127966 805360496 /nfs/dbraw/zinc/36/04/96/805360496.db2.gz MJSKMOSXWYVMOE-GFCCVEGCSA-N 2 1 294.399 -0.652 20 0 CBADMP CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073426021 805371294 /nfs/dbraw/zinc/37/12/94/805371294.db2.gz OEFQFDPCEGKEDJ-LBPRGKRZSA-N 2 1 294.399 -0.782 20 0 CBADMP CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073426021 805371304 /nfs/dbraw/zinc/37/13/04/805371304.db2.gz OEFQFDPCEGKEDJ-LBPRGKRZSA-N 2 1 294.399 -0.782 20 0 CBADMP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001073426021 805371313 /nfs/dbraw/zinc/37/13/13/805371313.db2.gz OEFQFDPCEGKEDJ-LBPRGKRZSA-N 2 1 294.399 -0.782 20 0 CBADMP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426021 805371322 /nfs/dbraw/zinc/37/13/22/805371322.db2.gz OEFQFDPCEGKEDJ-LBPRGKRZSA-N 2 1 294.399 -0.782 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCO)CCCO1 ZINC001073554178 805384376 /nfs/dbraw/zinc/38/43/76/805384376.db2.gz DNQRSMHQTWZIAZ-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCO)CCCO1 ZINC001073554178 805384385 /nfs/dbraw/zinc/38/43/85/805384385.db2.gz DNQRSMHQTWZIAZ-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001073554178 805384394 /nfs/dbraw/zinc/38/43/94/805384394.db2.gz DNQRSMHQTWZIAZ-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073563604 805386022 /nfs/dbraw/zinc/38/60/22/805386022.db2.gz GASCTGSTBCYOHC-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073563604 805386029 /nfs/dbraw/zinc/38/60/29/805386029.db2.gz GASCTGSTBCYOHC-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073563604 805386039 /nfs/dbraw/zinc/38/60/39/805386039.db2.gz GASCTGSTBCYOHC-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073563604 805386050 /nfs/dbraw/zinc/38/60/50/805386050.db2.gz GASCTGSTBCYOHC-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073891325 805421850 /nfs/dbraw/zinc/42/18/50/805421850.db2.gz OJUIZOYRTAVJQT-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@H+](CCCO)CCCO2)C1 ZINC001073891325 805421857 /nfs/dbraw/zinc/42/18/57/805421857.db2.gz OJUIZOYRTAVJQT-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@@H+](CCCO)CCCO2)C1 ZINC001073891325 805421863 /nfs/dbraw/zinc/42/18/63/805421863.db2.gz OJUIZOYRTAVJQT-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073891327 805422585 /nfs/dbraw/zinc/42/25/85/805422585.db2.gz OJUIZOYRTAVJQT-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](CCCO)CCCO2)C1 ZINC001073891327 805422587 /nfs/dbraw/zinc/42/25/87/805422587.db2.gz OJUIZOYRTAVJQT-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCCO)CCCO2)C1 ZINC001073891327 805422588 /nfs/dbraw/zinc/42/25/88/805422588.db2.gz OJUIZOYRTAVJQT-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001074792955 805471779 /nfs/dbraw/zinc/47/17/79/805471779.db2.gz NAQCQNALCRDZKD-ZDEQEGDKSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C)C1 ZINC001074878365 805475711 /nfs/dbraw/zinc/47/57/11/805475711.db2.gz PNGIECXZWCYWJL-WOPDTQHZSA-N 2 1 282.388 -0.608 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C ZINC001075111336 805482810 /nfs/dbraw/zinc/48/28/10/805482810.db2.gz DRBVYOVFVGXHQF-SCVCMEIPSA-N 2 1 293.371 -0.356 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001075106893 805482919 /nfs/dbraw/zinc/48/29/19/805482919.db2.gz OHCOGRWGXSKHGG-DCAQKATOSA-N 2 1 268.361 -0.998 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C ZINC001075111335 805483089 /nfs/dbraw/zinc/48/30/89/805483089.db2.gz DRBVYOVFVGXHQF-NHCYSSNCSA-N 2 1 293.371 -0.356 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCOC)C1 ZINC001151737351 815088391 /nfs/dbraw/zinc/08/83/91/815088391.db2.gz BXNSTYCFWADNBW-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCOC)C1 ZINC001151737351 815088402 /nfs/dbraw/zinc/08/84/02/815088402.db2.gz BXNSTYCFWADNBW-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001151736881 815088430 /nfs/dbraw/zinc/08/84/30/815088430.db2.gz ADEAIJOUWLANLY-ZDUSSCGKSA-N 2 1 295.387 -0.690 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001151736881 815088436 /nfs/dbraw/zinc/08/84/36/815088436.db2.gz ADEAIJOUWLANLY-ZDUSSCGKSA-N 2 1 295.387 -0.690 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC2CCOCC2)C1 ZINC001151737406 815088517 /nfs/dbraw/zinc/08/85/17/815088517.db2.gz COIHRCIHVYBRPX-AWEZNQCLSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC2CCOCC2)C1 ZINC001151737406 815088524 /nfs/dbraw/zinc/08/85/24/815088524.db2.gz COIHRCIHVYBRPX-AWEZNQCLSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[C@@H](C[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)OC ZINC001151737441 815088606 /nfs/dbraw/zinc/08/86/06/815088606.db2.gz DBPPSULSRLZJQD-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@@H](C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)OC ZINC001151737441 815088612 /nfs/dbraw/zinc/08/86/12/815088612.db2.gz DBPPSULSRLZJQD-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCF)C1 ZINC001151748035 815089520 /nfs/dbraw/zinc/08/95/20/815089520.db2.gz COOGGSFRILOLCB-LLVKDONJSA-N 2 1 261.341 -0.228 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCF)C1 ZINC001151748035 815089524 /nfs/dbraw/zinc/08/95/24/815089524.db2.gz COOGGSFRILOLCB-LLVKDONJSA-N 2 1 261.341 -0.228 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCOC2)C1 ZINC001151739007 815090244 /nfs/dbraw/zinc/09/02/44/815090244.db2.gz JXSDFNPECLIPOA-KGLIPLIRSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCOC2)C1 ZINC001151739007 815090251 /nfs/dbraw/zinc/09/02/51/815090251.db2.gz JXSDFNPECLIPOA-KGLIPLIRSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccnn2C)C1 ZINC001151749264 815091669 /nfs/dbraw/zinc/09/16/69/815091669.db2.gz TVTOTNDNQPIEFR-ZDUSSCGKSA-N 2 1 295.387 -0.653 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccnn2C)C1 ZINC001151749264 815091673 /nfs/dbraw/zinc/09/16/73/815091673.db2.gz TVTOTNDNQPIEFR-ZDUSSCGKSA-N 2 1 295.387 -0.653 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152386244 815119319 /nfs/dbraw/zinc/11/93/19/815119319.db2.gz FXZGSKZIAGXMKF-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152386244 815119321 /nfs/dbraw/zinc/11/93/21/815119321.db2.gz FXZGSKZIAGXMKF-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152386244 815119324 /nfs/dbraw/zinc/11/93/24/815119324.db2.gz FXZGSKZIAGXMKF-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152386244 815119327 /nfs/dbraw/zinc/11/93/27/815119327.db2.gz FXZGSKZIAGXMKF-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152439894 815120693 /nfs/dbraw/zinc/12/06/93/815120693.db2.gz UGTTWWCAURGNAK-LBPRGKRZSA-N 2 1 286.420 -0.053 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001152439428 815121539 /nfs/dbraw/zinc/12/15/39/815121539.db2.gz LULDBIRLMIQNSE-UHFFFAOYSA-N 2 1 270.377 -0.735 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001152433165 815121953 /nfs/dbraw/zinc/12/19/53/815121953.db2.gz VYXRZNZBSAZHHK-LBPRGKRZSA-N 2 1 294.403 -0.189 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001152451953 815122646 /nfs/dbraw/zinc/12/26/46/815122646.db2.gz NMEDOOCWGLUMIY-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCCO ZINC001152458616 815124008 /nfs/dbraw/zinc/12/40/08/815124008.db2.gz RRLNPLALJRSKPJ-LBPRGKRZSA-N 2 1 257.378 -0.051 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001152459142 815124304 /nfs/dbraw/zinc/12/43/04/815124304.db2.gz ZSRHLVSQCVHPDY-ZDUSSCGKSA-N 2 1 287.404 -0.425 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001152459118 815124328 /nfs/dbraw/zinc/12/43/28/815124328.db2.gz ZDADISFPNKRLRH-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(N)=O)c1ccccc1 ZINC001152528595 815129852 /nfs/dbraw/zinc/12/98/52/815129852.db2.gz JABJHXNQFIOUIZ-CYBMUJFWSA-N 2 1 278.356 -0.520 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+](C)Cc1ccccc1)C(N)=O ZINC001153320167 815158293 /nfs/dbraw/zinc/15/82/93/815158293.db2.gz KINOSRQQPOKLLU-GFCCVEGCSA-N 2 1 292.383 -0.302 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)Cc1ccccc1)C(N)=O ZINC001153320167 815158296 /nfs/dbraw/zinc/15/82/96/815158296.db2.gz KINOSRQQPOKLLU-GFCCVEGCSA-N 2 1 292.383 -0.302 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824351 815179292 /nfs/dbraw/zinc/17/92/92/815179292.db2.gz QZVALUVXYXLBRV-MFKMUULPSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824351 815179295 /nfs/dbraw/zinc/17/92/95/815179295.db2.gz QZVALUVXYXLBRV-MFKMUULPSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153823831 815179694 /nfs/dbraw/zinc/17/96/94/815179694.db2.gz AOLYVKJKVSTGIF-BXUZGUMPSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153823831 815179699 /nfs/dbraw/zinc/17/96/99/815179699.db2.gz AOLYVKJKVSTGIF-BXUZGUMPSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC(N)=O)[NH+](C)C ZINC001153998135 815191947 /nfs/dbraw/zinc/19/19/47/815191947.db2.gz JWIVMSGDNYDTAH-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC(N)=O)[NH+](C)C ZINC001153998135 815191950 /nfs/dbraw/zinc/19/19/50/815191950.db2.gz JWIVMSGDNYDTAH-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[N@@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999983 815256047 /nfs/dbraw/zinc/25/60/47/815256047.db2.gz UQEDKKLIQZOXOV-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999146 815255953 /nfs/dbraw/zinc/25/59/53/815255953.db2.gz DWCZJKAPNKGALF-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999146 815255955 /nfs/dbraw/zinc/25/59/55/815255955.db2.gz DWCZJKAPNKGALF-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CC[N@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999983 815256044 /nfs/dbraw/zinc/25/60/44/815256044.db2.gz UQEDKKLIQZOXOV-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP [NH3+]Cc1cc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)ncn1 ZINC001155373454 815279010 /nfs/dbraw/zinc/27/90/10/815279010.db2.gz QYCLALRCCSFCPD-ZDUSSCGKSA-N 3 1 276.388 -0.205 20 0 CBADMP NC(=O)c1ccnc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155374051 815280440 /nfs/dbraw/zinc/28/04/40/815280440.db2.gz WNFCOCQPCGRHPW-NSHDSACASA-N 2 1 290.371 -0.565 20 0 CBADMP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155790657 815311428 /nfs/dbraw/zinc/31/14/28/815311428.db2.gz LLPALFHWSAMVJE-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001155791033 815313683 /nfs/dbraw/zinc/31/36/83/815313683.db2.gz QZDHFDGTAJLRQU-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cnon1 ZINC001155814756 815314376 /nfs/dbraw/zinc/31/43/76/815314376.db2.gz ZOTQAINZKFERPT-LLVKDONJSA-N 2 1 267.333 -0.240 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)c1nnnn1C ZINC001155810947 815314750 /nfs/dbraw/zinc/31/47/50/815314750.db2.gz DFIOVBYUSNQZPT-QWRGUYRKSA-N 2 1 295.391 -0.539 20 0 CBADMP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001155810514 815315094 /nfs/dbraw/zinc/31/50/94/815315094.db2.gz CIXSTIGIYLEPJI-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)c1nnnn1C ZINC001155810948 815315565 /nfs/dbraw/zinc/31/55/65/815315565.db2.gz DFIOVBYUSNQZPT-WDEREUQCSA-N 2 1 295.391 -0.539 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155812493 815315614 /nfs/dbraw/zinc/31/56/14/815315614.db2.gz NTXUMQOQWRMVSK-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCCCO2)C1 ZINC001156125942 815339461 /nfs/dbraw/zinc/33/94/61/815339461.db2.gz QVOJGZRGMBPZNG-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCCCO2)C1 ZINC001156125942 815339467 /nfs/dbraw/zinc/33/94/67/815339467.db2.gz QVOJGZRGMBPZNG-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC[C@@H]2CCOC2)C1 ZINC001156145727 815341628 /nfs/dbraw/zinc/34/16/28/815341628.db2.gz OMPLZWAFCHAYHP-KGLIPLIRSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC[C@@H]2CCOC2)C1 ZINC001156145727 815341635 /nfs/dbraw/zinc/34/16/35/815341635.db2.gz OMPLZWAFCHAYHP-KGLIPLIRSA-N 2 1 299.415 -0.161 20 0 CBADMP Cc1oncc1C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156144226 815341644 /nfs/dbraw/zinc/34/16/44/815341644.db2.gz BUWUIZYYGYRAAV-ZDUSSCGKSA-N 2 1 296.371 -0.090 20 0 CBADMP Cc1oncc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156144226 815341650 /nfs/dbraw/zinc/34/16/50/815341650.db2.gz BUWUIZYYGYRAAV-ZDUSSCGKSA-N 2 1 296.371 -0.090 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H]2CCCOC2)C1 ZINC001156144206 815341749 /nfs/dbraw/zinc/34/17/49/815341749.db2.gz BLXXYHOCIXBYTC-KGLIPLIRSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H]2CCCOC2)C1 ZINC001156144206 815341755 /nfs/dbraw/zinc/34/17/55/815341755.db2.gz BLXXYHOCIXBYTC-KGLIPLIRSA-N 2 1 299.415 -0.161 20 0 CBADMP 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 810241666 /nfs/dbraw/zinc/24/16/66/810241666.db2.gz WAQKXLMRQVGAMC-NJMOYASZSA-N 2 1 296.415 -0.315 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086198749 810248353 /nfs/dbraw/zinc/24/83/53/810248353.db2.gz DUZDDLLIMKLGNY-FVCCEPFGSA-N 2 1 269.389 -0.339 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001086270930 810253609 /nfs/dbraw/zinc/25/36/09/810253609.db2.gz ZLMNRZXPYOJWNS-NNYUYHANSA-N 2 1 282.388 -0.704 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086333370 810261691 /nfs/dbraw/zinc/26/16/91/810261691.db2.gz MQKNFSISLPDFFQ-CYDGBPFRSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086333370 810261695 /nfs/dbraw/zinc/26/16/95/810261695.db2.gz MQKNFSISLPDFFQ-CYDGBPFRSA-N 2 1 285.388 -0.818 20 0 CBADMP 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 810265594 /nfs/dbraw/zinc/26/55/94/810265594.db2.gz WAQKXLMRQVGAMC-SYLRKERUSA-N 2 1 296.415 -0.315 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086364966 810265862 /nfs/dbraw/zinc/26/58/62/810265862.db2.gz ZPZSEYZDXXCHPW-AVGNSLFASA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086403039 810266978 /nfs/dbraw/zinc/26/69/78/810266978.db2.gz SAUNOEVAHDKUAE-JHJVBQTASA-N 2 1 269.389 -0.053 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001086551533 810278433 /nfs/dbraw/zinc/27/84/33/810278433.db2.gz DKELJUMRICMOOM-ZDEQEGDKSA-N 2 1 296.415 -0.314 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086550855 810278444 /nfs/dbraw/zinc/27/84/44/810278444.db2.gz YCDKMSRSIHUXDH-FDYHWXHSSA-N 2 1 294.399 -0.689 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086659149 810281843 /nfs/dbraw/zinc/28/18/43/810281843.db2.gz LTXGZVZEHOJRTK-QJPTWQEYSA-N 2 1 282.388 -0.560 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086734703 810284745 /nfs/dbraw/zinc/28/47/45/810284745.db2.gz PMCDPJKYNBNKSC-YNEHKIRRSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156389983 815357578 /nfs/dbraw/zinc/35/75/78/815357578.db2.gz CBHLFRYVNYBLJQ-OLZOCXBDSA-N 2 1 289.420 -0.228 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(N)=O ZINC001087828828 810308149 /nfs/dbraw/zinc/30/81/49/810308149.db2.gz WKKYWUUXZDEEMI-SDDRHHMPSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(N)=O ZINC001087828828 810308151 /nfs/dbraw/zinc/30/81/51/810308151.db2.gz WKKYWUUXZDEEMI-SDDRHHMPSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(N)=O ZINC001087828828 810308157 /nfs/dbraw/zinc/30/81/57/810308157.db2.gz WKKYWUUXZDEEMI-SDDRHHMPSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(N)=O ZINC001087828828 810308164 /nfs/dbraw/zinc/30/81/64/810308164.db2.gz WKKYWUUXZDEEMI-SDDRHHMPSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1 ZINC001087908662 810313691 /nfs/dbraw/zinc/31/36/91/810313691.db2.gz JOQWFVSMYFIJGQ-AGIUHOORSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001087908662 810313695 /nfs/dbraw/zinc/31/36/95/810313695.db2.gz JOQWFVSMYFIJGQ-AGIUHOORSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001087908662 810313702 /nfs/dbraw/zinc/31/37/02/810313702.db2.gz JOQWFVSMYFIJGQ-AGIUHOORSA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CCO)CC[C@@H]3C2)C1 ZINC001088200122 810322791 /nfs/dbraw/zinc/32/27/91/810322791.db2.gz QJVJFFQUKKRMLV-RDBSUJKOSA-N 2 1 281.400 -0.289 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCO)CC[C@@H]3C2)C1 ZINC001088200122 810322797 /nfs/dbraw/zinc/32/27/97/810322797.db2.gz QJVJFFQUKKRMLV-RDBSUJKOSA-N 2 1 281.400 -0.289 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)C1 ZINC001088200122 810322802 /nfs/dbraw/zinc/32/28/02/810322802.db2.gz QJVJFFQUKKRMLV-RDBSUJKOSA-N 2 1 281.400 -0.289 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506322 810337899 /nfs/dbraw/zinc/33/78/99/810337899.db2.gz QFXXCURDNPJBDW-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506322 810337894 /nfs/dbraw/zinc/33/78/94/810337894.db2.gz QFXXCURDNPJBDW-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088506322 810337905 /nfs/dbraw/zinc/33/79/05/810337905.db2.gz QFXXCURDNPJBDW-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088506322 810337910 /nfs/dbraw/zinc/33/79/10/810337910.db2.gz QFXXCURDNPJBDW-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCCO ZINC001089038802 810373537 /nfs/dbraw/zinc/37/35/37/810373537.db2.gz LUHABHYNGAXZQL-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCCO ZINC001089038802 810373539 /nfs/dbraw/zinc/37/35/39/810373539.db2.gz LUHABHYNGAXZQL-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCCO ZINC001089038802 810373547 /nfs/dbraw/zinc/37/35/47/810373547.db2.gz LUHABHYNGAXZQL-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCO ZINC001089038166 810374482 /nfs/dbraw/zinc/37/44/82/810374482.db2.gz HHPXCRRLPYZEEH-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCO ZINC001089038166 810374488 /nfs/dbraw/zinc/37/44/88/810374488.db2.gz HHPXCRRLPYZEEH-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1cc2c(nn1)CC[NH2+]C2 ZINC001156623517 815369923 /nfs/dbraw/zinc/36/99/23/815369923.db2.gz KAAJGHQTKNGOCB-UHFFFAOYSA-N 2 1 257.301 -0.754 20 0 CBADMP CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090433059 810498023 /nfs/dbraw/zinc/49/80/23/810498023.db2.gz OCMWPOTZUZFBQK-VXGBXAGGSA-N 2 1 266.345 -0.237 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090433059 810498029 /nfs/dbraw/zinc/49/80/29/810498029.db2.gz OCMWPOTZUZFBQK-VXGBXAGGSA-N 2 1 266.345 -0.237 20 0 CBADMP CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090433056 810499307 /nfs/dbraw/zinc/49/93/07/810499307.db2.gz OCMWPOTZUZFBQK-NEPJUHHUSA-N 2 1 266.345 -0.237 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090433056 810499313 /nfs/dbraw/zinc/49/93/13/810499313.db2.gz OCMWPOTZUZFBQK-NEPJUHHUSA-N 2 1 266.345 -0.237 20 0 CBADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)CC1 ZINC001090673778 810546992 /nfs/dbraw/zinc/54/69/92/810546992.db2.gz MLKRZKMRAOLSIU-ZIAGYGMSSA-N 2 1 299.415 -0.738 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090731133 810559174 /nfs/dbraw/zinc/55/91/74/810559174.db2.gz PQWLWTMOTVIYOB-STQMWFEESA-N 2 1 297.399 -0.984 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090729919 810559495 /nfs/dbraw/zinc/55/94/95/810559495.db2.gz CFRIIQJDTDORSA-QWHCGFSZSA-N 2 1 299.390 -0.007 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090729920 810559682 /nfs/dbraw/zinc/55/96/82/810559682.db2.gz CFRIIQJDTDORSA-STQMWFEESA-N 2 1 299.390 -0.007 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090814497 810570560 /nfs/dbraw/zinc/57/05/60/810570560.db2.gz JSNSRUTXHZJLMN-STQMWFEESA-N 2 1 285.388 -0.984 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CCO)C[C@@]3(C)C2)C1 ZINC001092272310 810627764 /nfs/dbraw/zinc/62/77/64/810627764.db2.gz DIZPFXPMUUWQJV-GUTXKFCHSA-N 2 1 281.400 -0.289 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](CCO)C[C@@]3(C)C2)C1 ZINC001092272310 810627768 /nfs/dbraw/zinc/62/77/68/810627768.db2.gz DIZPFXPMUUWQJV-GUTXKFCHSA-N 2 1 281.400 -0.289 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](CCO)C[C@@]3(C)C2)C1 ZINC001092272310 810627771 /nfs/dbraw/zinc/62/77/71/810627771.db2.gz DIZPFXPMUUWQJV-GUTXKFCHSA-N 2 1 281.400 -0.289 20 0 CBADMP CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890486 815388283 /nfs/dbraw/zinc/38/82/83/815388283.db2.gz MOVYVPXYIYMYMY-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890486 815388290 /nfs/dbraw/zinc/38/82/90/815388290.db2.gz MOVYVPXYIYMYMY-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890486 815388294 /nfs/dbraw/zinc/38/82/94/815388294.db2.gz MOVYVPXYIYMYMY-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890486 815388301 /nfs/dbraw/zinc/38/83/01/815388301.db2.gz MOVYVPXYIYMYMY-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCO)C[C@H]2C)C1 ZINC001093212685 810648530 /nfs/dbraw/zinc/64/85/30/810648530.db2.gz PFWRCFAQAMDTSI-MCIONIFRSA-N 2 1 299.415 -0.617 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCO)C[C@H]2C)C1 ZINC001093212685 810648536 /nfs/dbraw/zinc/64/85/36/810648536.db2.gz PFWRCFAQAMDTSI-MCIONIFRSA-N 2 1 299.415 -0.617 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CCO)C[C@H]2C)C1 ZINC001093212685 810648541 /nfs/dbraw/zinc/64/85/41/810648541.db2.gz PFWRCFAQAMDTSI-MCIONIFRSA-N 2 1 299.415 -0.617 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2C)C1 ZINC001093212685 810648544 /nfs/dbraw/zinc/64/85/44/810648544.db2.gz PFWRCFAQAMDTSI-MCIONIFRSA-N 2 1 299.415 -0.617 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156882451 815387279 /nfs/dbraw/zinc/38/72/79/815387279.db2.gz KJRARURBKRZXNZ-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156882451 815387285 /nfs/dbraw/zinc/38/72/85/815387285.db2.gz KJRARURBKRZXNZ-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156882451 815387291 /nfs/dbraw/zinc/38/72/91/815387291.db2.gz KJRARURBKRZXNZ-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156882451 815387299 /nfs/dbraw/zinc/38/72/99/815387299.db2.gz KJRARURBKRZXNZ-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338854 810713631 /nfs/dbraw/zinc/71/36/31/810713631.db2.gz OXAWXJFSYDNWMY-NSHDSACASA-N 2 1 292.387 -0.277 20 0 CBADMP CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001094338854 810713638 /nfs/dbraw/zinc/71/36/38/810713638.db2.gz OXAWXJFSYDNWMY-NSHDSACASA-N 2 1 292.387 -0.277 20 0 CBADMP CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338853 810713820 /nfs/dbraw/zinc/71/38/20/810713820.db2.gz OXAWXJFSYDNWMY-LLVKDONJSA-N 2 1 292.387 -0.277 20 0 CBADMP CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001094338853 810713824 /nfs/dbraw/zinc/71/38/24/810713824.db2.gz OXAWXJFSYDNWMY-LLVKDONJSA-N 2 1 292.387 -0.277 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001095769298 810760666 /nfs/dbraw/zinc/76/06/66/810760666.db2.gz GHUCLPWXDFYAMT-AGIUHOORSA-N 2 1 278.356 -0.095 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001095769298 810760670 /nfs/dbraw/zinc/76/06/70/810760670.db2.gz GHUCLPWXDFYAMT-AGIUHOORSA-N 2 1 278.356 -0.095 20 0 CBADMP CN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)C1 ZINC001096914047 810789494 /nfs/dbraw/zinc/78/94/94/810789494.db2.gz DHNJGUXDUWOFEH-YIYPIFLZSA-N 2 1 297.399 -0.579 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001098393854 810843975 /nfs/dbraw/zinc/84/39/75/810843975.db2.gz FCBFHHBBDCBSIB-LOWDOPEQSA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)C1 ZINC001098393854 810843981 /nfs/dbraw/zinc/84/39/81/810843981.db2.gz FCBFHHBBDCBSIB-LOWDOPEQSA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1 ZINC001098393854 810843986 /nfs/dbraw/zinc/84/39/86/810843986.db2.gz FCBFHHBBDCBSIB-LOWDOPEQSA-N 2 1 267.373 -0.348 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001098401841 810845563 /nfs/dbraw/zinc/84/55/63/810845563.db2.gz RPRCWNOXNSOFMR-UPJWGTAASA-N 2 1 267.373 -0.204 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001098401841 810845572 /nfs/dbraw/zinc/84/55/72/810845572.db2.gz RPRCWNOXNSOFMR-UPJWGTAASA-N 2 1 267.373 -0.204 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)CCC1 ZINC001099873886 810960110 /nfs/dbraw/zinc/96/01/10/810960110.db2.gz BNYAGBKCGITCTL-RYUDHWBXSA-N 2 1 285.388 -0.986 20 0 CBADMP CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037367 810997700 /nfs/dbraw/zinc/99/77/00/810997700.db2.gz YFOCHRTZRWACAB-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037367 810997705 /nfs/dbraw/zinc/99/77/05/810997705.db2.gz YFOCHRTZRWACAB-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132558 811028786 /nfs/dbraw/zinc/02/87/86/811028786.db2.gz VQXADHHTRZJLLP-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100132558 811028795 /nfs/dbraw/zinc/02/87/95/811028795.db2.gz VQXADHHTRZJLLP-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037364 810999031 /nfs/dbraw/zinc/99/90/31/810999031.db2.gz YFOCHRTZRWACAB-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037364 810999039 /nfs/dbraw/zinc/99/90/39/810999039.db2.gz YFOCHRTZRWACAB-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100132558 811028804 /nfs/dbraw/zinc/02/88/04/811028804.db2.gz VQXADHHTRZJLLP-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCCO)C[C@@H]1O ZINC001100067453 811010864 /nfs/dbraw/zinc/01/08/64/811010864.db2.gz RRZZLQOURMOEBX-OLZOCXBDSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100067453 811010867 /nfs/dbraw/zinc/01/08/67/811010867.db2.gz RRZZLQOURMOEBX-OLZOCXBDSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100067453 811010875 /nfs/dbraw/zinc/01/08/75/811010875.db2.gz RRZZLQOURMOEBX-OLZOCXBDSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCF)C[C@@H]1O ZINC001100065183 811011172 /nfs/dbraw/zinc/01/11/72/811011172.db2.gz YUXLOQSJFAFOQD-RYUDHWBXSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCF)C[C@@H]1O ZINC001100065183 811011180 /nfs/dbraw/zinc/01/11/80/811011180.db2.gz YUXLOQSJFAFOQD-RYUDHWBXSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001100065183 811011186 /nfs/dbraw/zinc/01/11/86/811011186.db2.gz YUXLOQSJFAFOQD-RYUDHWBXSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001100065183 811011191 /nfs/dbraw/zinc/01/11/91/811011191.db2.gz YUXLOQSJFAFOQD-RYUDHWBXSA-N 2 1 275.368 -0.151 20 0 CBADMP CCOCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109187 811022695 /nfs/dbraw/zinc/02/26/95/811022695.db2.gz AOZKJCVHVKKDBL-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001100185551 811034156 /nfs/dbraw/zinc/03/41/56/811034156.db2.gz FKPASAPQMJGLIH-WXRRBKDZSA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@@H+](CC(=O)NCC1CC([NH2+]CC(N)=O)C1)C1CCC1 ZINC001100410657 811056184 /nfs/dbraw/zinc/05/61/84/811056184.db2.gz HCEPDVSDOBZNAZ-UHFFFAOYSA-N 2 1 282.388 -0.560 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001100678472 811070902 /nfs/dbraw/zinc/07/09/02/811070902.db2.gz MAWPCUJPWCTPFA-PNESKVBLSA-N 2 1 269.389 -0.195 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100677056 811071377 /nfs/dbraw/zinc/07/13/77/811071377.db2.gz XNEOMPLNWTUWAO-HIFPTAJRSA-N 2 1 269.389 -0.053 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC1CC([NH2+]CCO)C1 ZINC001100758830 811078593 /nfs/dbraw/zinc/07/85/93/811078593.db2.gz QEUWRAKPJMSUIN-UHFFFAOYSA-N 2 1 285.388 -0.815 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100829981 811081971 /nfs/dbraw/zinc/08/19/71/811081971.db2.gz VWZCNIPBQATXFS-UHFFFAOYSA-N 2 1 270.377 -0.702 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC)C1 ZINC001100904747 811084111 /nfs/dbraw/zinc/08/41/11/811084111.db2.gz FDIIRQDUWSZPSR-PNESKVBLSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001157335106 815424450 /nfs/dbraw/zinc/42/44/50/815424450.db2.gz DNWLCDSNFISDBW-RYUDHWBXSA-N 2 1 284.404 -0.171 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001157335106 815424452 /nfs/dbraw/zinc/42/44/52/815424452.db2.gz DNWLCDSNFISDBW-RYUDHWBXSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCOC)C2)C1 ZINC001101006698 811091407 /nfs/dbraw/zinc/09/14/07/811091407.db2.gz UZLZLTSVFLSPST-RUXDESIVSA-N 2 1 299.415 -0.162 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCOC)C2)C1 ZINC001101006698 811091416 /nfs/dbraw/zinc/09/14/16/811091416.db2.gz UZLZLTSVFLSPST-RUXDESIVSA-N 2 1 299.415 -0.162 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1 ZINC001101418232 811103230 /nfs/dbraw/zinc/10/32/30/811103230.db2.gz GZTJTBUNMAZHPT-DOMZBBRYSA-N 2 1 296.415 -0.406 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101418232 811103233 /nfs/dbraw/zinc/10/32/33/811103233.db2.gz GZTJTBUNMAZHPT-DOMZBBRYSA-N 2 1 296.415 -0.406 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101418232 811103237 /nfs/dbraw/zinc/10/32/37/811103237.db2.gz GZTJTBUNMAZHPT-DOMZBBRYSA-N 2 1 296.415 -0.406 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1 ZINC001101477138 811106509 /nfs/dbraw/zinc/10/65/09/811106509.db2.gz DYKHOISRHFXNFY-DOMZBBRYSA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101477138 811106517 /nfs/dbraw/zinc/10/65/17/811106517.db2.gz DYKHOISRHFXNFY-DOMZBBRYSA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101477138 811106523 /nfs/dbraw/zinc/10/65/23/811106523.db2.gz DYKHOISRHFXNFY-DOMZBBRYSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051610 811145174 /nfs/dbraw/zinc/14/51/74/811145174.db2.gz AKGWUPLEBHZECM-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051610 811145181 /nfs/dbraw/zinc/14/51/81/811145181.db2.gz AKGWUPLEBHZECM-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051610 811145187 /nfs/dbraw/zinc/14/51/87/811145187.db2.gz AKGWUPLEBHZECM-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001102524339 811157160 /nfs/dbraw/zinc/15/71/60/811157160.db2.gz ARDWZOKHJUPUDI-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001102524339 811157168 /nfs/dbraw/zinc/15/71/68/811157168.db2.gz ARDWZOKHJUPUDI-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102524339 811157172 /nfs/dbraw/zinc/15/71/72/811157172.db2.gz ARDWZOKHJUPUDI-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102580894 811161159 /nfs/dbraw/zinc/16/11/59/811161159.db2.gz PPOMIVNOANPZJU-ZYHUDNBSSA-N 2 1 293.371 -0.639 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001102580894 811161163 /nfs/dbraw/zinc/16/11/63/811161163.db2.gz PPOMIVNOANPZJU-ZYHUDNBSSA-N 2 1 293.371 -0.639 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cnc(C[NH3+])s1 ZINC001157344687 815426097 /nfs/dbraw/zinc/42/60/97/815426097.db2.gz SOLZMBGUUZHTMB-QMMMGPOBSA-N 2 1 299.400 -0.425 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(N)=O ZINC001105007508 811212835 /nfs/dbraw/zinc/21/28/35/811212835.db2.gz AFQUIYCGUIDMSO-JHJVBQTASA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(N)=O ZINC001106665121 811313288 /nfs/dbraw/zinc/31/32/88/811313288.db2.gz INTLRDKSHTVQGK-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CCO ZINC001106767669 811316383 /nfs/dbraw/zinc/31/63/83/811316383.db2.gz MRBAHPZDXPYHHV-ZIAGYGMSSA-N 2 1 299.415 -0.615 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C1 ZINC001106908394 811318736 /nfs/dbraw/zinc/31/87/36/811318736.db2.gz YKKVMASFTQASHG-JHJVBQTASA-N 2 1 298.431 -0.114 20 0 CBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)C1 ZINC001157538838 815444181 /nfs/dbraw/zinc/44/41/81/815444181.db2.gz TUVNRVVYHMYXGB-VWYCJHECSA-N 2 1 272.368 -0.434 20 0 CBADMP NC[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)cc1 ZINC001157556239 815444852 /nfs/dbraw/zinc/44/48/52/815444852.db2.gz XOBCXMODNOMTEI-WOPDTQHZSA-N 2 1 266.320 -0.234 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)CC1 ZINC001108163636 811418737 /nfs/dbraw/zinc/41/87/37/811418737.db2.gz NVKMPHMOIPRPHB-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)CC1 ZINC001108163636 811418739 /nfs/dbraw/zinc/41/87/39/811418739.db2.gz NVKMPHMOIPRPHB-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CC)C2)C1 ZINC001108587466 811460291 /nfs/dbraw/zinc/46/02/91/811460291.db2.gz OHOIITZMALUUBZ-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CC)C2)C1 ZINC001108587466 811460298 /nfs/dbraw/zinc/46/02/98/811460298.db2.gz OHOIITZMALUUBZ-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674344 811499512 /nfs/dbraw/zinc/49/95/12/811499512.db2.gz CWGCQZZTLDWLJY-VOAKCMCISA-N 2 1 296.415 -0.077 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674344 811499518 /nfs/dbraw/zinc/49/95/18/811499518.db2.gz CWGCQZZTLDWLJY-VOAKCMCISA-N 2 1 296.415 -0.077 20 0 CBADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673685 811499790 /nfs/dbraw/zinc/49/97/90/811499790.db2.gz ONNRMSFXUCEJON-MQYQWHSLSA-N 2 1 299.415 -0.333 20 0 CBADMP COC(=O)[C@@]1(F)CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001157715296 815455699 /nfs/dbraw/zinc/45/56/99/815455699.db2.gz DHFZHBKWVDVGHD-CYBMUJFWSA-N 2 1 287.335 -0.558 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861641 811558746 /nfs/dbraw/zinc/55/87/46/811558746.db2.gz WYWQBPSRQFANPS-WFASDCNBSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001157740327 815460376 /nfs/dbraw/zinc/46/03/76/815460376.db2.gz NLKJLLWONDSALT-WCQYABFASA-N 2 1 273.352 -0.004 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001157740327 815460377 /nfs/dbraw/zinc/46/03/77/815460377.db2.gz NLKJLLWONDSALT-WCQYABFASA-N 2 1 273.352 -0.004 20 0 CBADMP COC[C@H](O)C[NH+]1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001113275430 811628667 /nfs/dbraw/zinc/62/86/67/811628667.db2.gz MPRAMSFQHGJYBK-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP COC[C@H](O)C[NH+]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001113538364 811645866 /nfs/dbraw/zinc/64/58/66/811645866.db2.gz KVHOUPDOFYLTAK-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@H](O)C[NH+]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113538364 811645869 /nfs/dbraw/zinc/64/58/69/811645869.db2.gz KVHOUPDOFYLTAK-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001157754903 815462834 /nfs/dbraw/zinc/46/28/34/815462834.db2.gz MWMLRFMPUNPTCK-JBLDHEPKSA-N 2 1 258.341 -0.645 20 0 CBADMP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001157841806 815470550 /nfs/dbraw/zinc/47/05/50/815470550.db2.gz HXZBOSNZSMTHSX-SKENRDBWSA-N 2 1 266.389 -0.206 20 0 CBADMP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157842419 815471194 /nfs/dbraw/zinc/47/11/94/815471194.db2.gz LHBYEIUXWIDOGR-NWDGAFQWSA-N 3 1 268.405 -0.086 20 0 CBADMP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001157850338 815471679 /nfs/dbraw/zinc/47/16/79/815471679.db2.gz XXIBJIJQEIMVGP-MBNYWOFBSA-N 2 1 297.447 -0.677 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)CCC1 ZINC001114407215 811747913 /nfs/dbraw/zinc/74/79/13/811747913.db2.gz UJSUDRSJGZNUMQ-ITGUQSILSA-N 2 1 281.400 -0.101 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001114422370 811748392 /nfs/dbraw/zinc/74/83/92/811748392.db2.gz ADOVFYCWXBPSCD-CXTNEJHOSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114422370 811748397 /nfs/dbraw/zinc/74/83/97/811748397.db2.gz ADOVFYCWXBPSCD-CXTNEJHOSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114422370 811748400 /nfs/dbraw/zinc/74/84/00/811748400.db2.gz ADOVFYCWXBPSCD-CXTNEJHOSA-N 2 1 281.400 -0.101 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[NH+](C)C ZINC001114442639 811750376 /nfs/dbraw/zinc/75/03/76/811750376.db2.gz LFTCNGMEDYKADC-LOWDOPEQSA-N 2 1 269.389 -0.389 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[NH+](C)C ZINC001114463373 811750523 /nfs/dbraw/zinc/75/05/23/811750523.db2.gz HXSGVCSUYMFMIX-XQHKEYJVSA-N 2 1 269.389 -0.245 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001157887188 815476883 /nfs/dbraw/zinc/47/68/83/815476883.db2.gz SCKIZSVLVGQYSA-VXGBXAGGSA-N 2 1 284.404 -0.171 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001157886996 815477104 /nfs/dbraw/zinc/47/71/04/815477104.db2.gz OKXNVBQLGVQBBO-QWHCGFSZSA-N 2 1 296.415 -0.156 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N2C[C@H](CO)CC(F)(F)C2)C1 ZINC001157899696 815478344 /nfs/dbraw/zinc/47/83/44/815478344.db2.gz BMLLTXHVRKWPSZ-HLTSFMKQSA-N 2 1 263.288 -0.848 20 0 CBADMP O=C(NCCC[NH2+]CCO)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158036919 815500653 /nfs/dbraw/zinc/50/06/53/815500653.db2.gz GMOQETDOJCIYMR-STQMWFEESA-N 2 1 269.389 -0.051 20 0 CBADMP O=C(NCCC[NH2+]CCO)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158036917 815500751 /nfs/dbraw/zinc/50/07/51/815500751.db2.gz GMOQETDOJCIYMR-OLZOCXBDSA-N 2 1 269.389 -0.051 20 0 CBADMP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1COCC[NH2+]1)CC2 ZINC001158083194 815502833 /nfs/dbraw/zinc/50/28/33/815502833.db2.gz YGRFXAUFBPNZPH-NSHDSACASA-N 2 1 253.346 -0.295 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CC1 ZINC001114741993 812157014 /nfs/dbraw/zinc/15/70/14/812157014.db2.gz ZLHPUIWHMDHFSG-GDNZZTSVSA-N 2 1 267.373 -0.633 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774709 812159199 /nfs/dbraw/zinc/15/91/99/812159199.db2.gz SRCQJZXZFCNDOR-YABSGUDNSA-N 2 1 282.388 -0.879 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774709 812159205 /nfs/dbraw/zinc/15/92/05/812159205.db2.gz SRCQJZXZFCNDOR-YABSGUDNSA-N 2 1 282.388 -0.879 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001114778668 812159793 /nfs/dbraw/zinc/15/97/93/812159793.db2.gz PBTMQSARJCENNX-IMRBUKKESA-N 2 1 292.387 -0.724 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114795065 812162027 /nfs/dbraw/zinc/16/20/27/812162027.db2.gz VGNHJVVRLINBTD-UVLXDEKHSA-N 2 1 296.415 -0.635 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114795065 812162034 /nfs/dbraw/zinc/16/20/34/812162034.db2.gz VGNHJVVRLINBTD-UVLXDEKHSA-N 2 1 296.415 -0.635 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114848544 812164856 /nfs/dbraw/zinc/16/48/56/812164856.db2.gz BKPBHEXSAPRISW-KZVDOYCCSA-N 2 1 296.415 -0.491 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114848544 812164863 /nfs/dbraw/zinc/16/48/63/812164863.db2.gz BKPBHEXSAPRISW-KZVDOYCCSA-N 2 1 296.415 -0.491 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001114998194 812172238 /nfs/dbraw/zinc/17/22/38/812172238.db2.gz PUFQEBSWJLUBPI-CIQGVGRVSA-N 2 1 269.389 -0.245 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114998831 812173452 /nfs/dbraw/zinc/17/34/52/812173452.db2.gz WUKOVHHOEZLZHM-IMRBUKKESA-N 2 1 269.389 -0.243 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115074785 812176659 /nfs/dbraw/zinc/17/66/59/812176659.db2.gz SGVQKLIPNRZMLD-KZVDOYCCSA-N 2 1 294.399 -0.737 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115074785 812176663 /nfs/dbraw/zinc/17/66/63/812176663.db2.gz SGVQKLIPNRZMLD-KZVDOYCCSA-N 2 1 294.399 -0.737 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115074785 812176669 /nfs/dbraw/zinc/17/66/69/812176669.db2.gz SGVQKLIPNRZMLD-KZVDOYCCSA-N 2 1 294.399 -0.737 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001115074631 812176889 /nfs/dbraw/zinc/17/68/89/812176889.db2.gz PJZWKXZFJDMJOE-JYAVWHMHSA-N 2 1 296.415 -0.537 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001115074631 812176895 /nfs/dbraw/zinc/17/68/95/812176895.db2.gz PJZWKXZFJDMJOE-JYAVWHMHSA-N 2 1 296.415 -0.537 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001115074631 812176901 /nfs/dbraw/zinc/17/69/01/812176901.db2.gz PJZWKXZFJDMJOE-JYAVWHMHSA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115144180 812181446 /nfs/dbraw/zinc/18/14/46/812181446.db2.gz RSDMYRITWYXCTA-NMKXLXIOSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115144180 812181450 /nfs/dbraw/zinc/18/14/50/812181450.db2.gz RSDMYRITWYXCTA-NMKXLXIOSA-N 2 1 296.415 -0.362 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115144320 812181608 /nfs/dbraw/zinc/18/16/08/812181608.db2.gz VAYHVQBUQCVAFJ-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115144320 812181612 /nfs/dbraw/zinc/18/16/12/812181612.db2.gz VAYHVQBUQCVAFJ-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115159108 812183782 /nfs/dbraw/zinc/18/37/82/812183782.db2.gz DAESSBACSHYCDO-KZVDOYCCSA-N 2 1 294.399 -0.737 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115159108 812183785 /nfs/dbraw/zinc/18/37/85/812183785.db2.gz DAESSBACSHYCDO-KZVDOYCCSA-N 2 1 294.399 -0.737 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115159108 812183788 /nfs/dbraw/zinc/18/37/88/812183788.db2.gz DAESSBACSHYCDO-KZVDOYCCSA-N 2 1 294.399 -0.737 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001115299815 812189831 /nfs/dbraw/zinc/18/98/31/812189831.db2.gz GJROGMMCQDUBBZ-PJXYFTJBSA-N 2 1 255.362 -0.635 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115299815 812189838 /nfs/dbraw/zinc/18/98/38/812189838.db2.gz GJROGMMCQDUBBZ-PJXYFTJBSA-N 2 1 255.362 -0.635 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115299815 812189843 /nfs/dbraw/zinc/18/98/43/812189843.db2.gz GJROGMMCQDUBBZ-PJXYFTJBSA-N 2 1 255.362 -0.635 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCO)CCCCC2)C1 ZINC001115462094 812196711 /nfs/dbraw/zinc/19/67/11/812196711.db2.gz RBZUUXUYKLKCNJ-ZDUSSCGKSA-N 2 1 299.415 -0.282 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCO)CCCCC2)C1 ZINC001115462094 812196716 /nfs/dbraw/zinc/19/67/16/812196716.db2.gz RBZUUXUYKLKCNJ-ZDUSSCGKSA-N 2 1 299.415 -0.282 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305371 815519596 /nfs/dbraw/zinc/51/95/96/815519596.db2.gz GYKBDOQARRYRDU-CMPLNLGQSA-N 3 1 252.362 -0.852 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)CC2 ZINC001158346630 815521873 /nfs/dbraw/zinc/52/18/73/815521873.db2.gz AWTCIQMOHKBBBF-NEPJUHHUSA-N 2 1 264.329 -0.632 20 0 CBADMP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158381115 815522789 /nfs/dbraw/zinc/52/27/89/815522789.db2.gz YBQUSZFTMZPDCD-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001158380053 815522926 /nfs/dbraw/zinc/52/29/26/815522926.db2.gz KUGIGTVXGVRAFE-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001158381195 815523046 /nfs/dbraw/zinc/52/30/46/815523046.db2.gz ZIZSVTSAAIKRSA-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCn2cncn2)CC[N@H+]1C ZINC001158380032 815523276 /nfs/dbraw/zinc/52/32/76/815523276.db2.gz KMWCRBALOAVICH-CHWSQXEVSA-N 2 1 294.403 -0.286 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158379761 815523349 /nfs/dbraw/zinc/52/33/49/815523349.db2.gz HCWWWPXGTGHTBM-IJLUTSLNSA-N 2 1 284.404 -0.443 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158424327 815527862 /nfs/dbraw/zinc/52/78/62/815527862.db2.gz ROZAIHLTNPAZIW-NEPJUHHUSA-N 3 1 252.362 -0.709 20 0 CBADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]CCC(N)=O)C2 ZINC001118180081 812485695 /nfs/dbraw/zinc/48/56/95/812485695.db2.gz CBURCVUDBZFULJ-JTQLQIEISA-N 2 1 266.345 -0.494 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@H]2CCCNC2=O)CC[N@H+]1C ZINC001158428324 815529572 /nfs/dbraw/zinc/52/95/72/815529572.db2.gz DBIKGRALPZKOGU-UPJWGTAASA-N 2 1 296.415 -0.299 20 0 CBADMP C(C[NH+]1CCN(C[C@H]2CCCO2)CC1)N1CC[NH2+]CC1 ZINC001118223081 812499610 /nfs/dbraw/zinc/49/96/10/812499610.db2.gz NDBBPNNBKRCOSE-OAHLLOKOSA-N 2 1 282.432 -0.312 20 0 CBADMP [NH3+]C1([C@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@@H]2CF)CC1 ZINC001158567642 815538221 /nfs/dbraw/zinc/53/82/21/815538221.db2.gz JEXMPIOIGRDKQH-AAEUAGOBSA-N 3 1 298.406 -0.137 20 0 CBADMP Cn1[nH]c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)nc1=O ZINC001118263679 812511613 /nfs/dbraw/zinc/51/16/13/812511613.db2.gz JUOBNODYXMQYBC-UHFFFAOYSA-N 2 1 251.334 -0.316 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001118261257 812511673 /nfs/dbraw/zinc/51/16/73/812511673.db2.gz RZHWHEHMFAKMLZ-NSHDSACASA-N 2 1 255.362 -0.048 20 0 CBADMP CC[N@H+]1C[C@H](C)N(CC(=O)N2CC[NH2+]CC2)C[C@H]1C ZINC001118264123 812512206 /nfs/dbraw/zinc/51/22/06/812512206.db2.gz TTYRZWPETUNOTR-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC001118330327 812531953 /nfs/dbraw/zinc/53/19/53/812531953.db2.gz LCTZSCXLBJFIRC-UHFFFAOYSA-N 2 1 293.371 -0.447 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158567163 815538390 /nfs/dbraw/zinc/53/83/90/815538390.db2.gz FKTJUIFUYOTHIC-ADEWGFFLSA-N 2 1 295.362 -0.185 20 0 CBADMP C[NH+](C)[C@@H]1C[C@H](CNC(=O)CN2CC[NH+](C)CC2)C1 ZINC001118382563 812542513 /nfs/dbraw/zinc/54/25/13/812542513.db2.gz IOIDNJWQGFQDNS-BETUJISGSA-N 2 1 268.405 -0.310 20 0 CBADMP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC001118521526 812567581 /nfs/dbraw/zinc/56/75/81/812567581.db2.gz QGSGIBQQOUZRKN-CYBMUJFWSA-N 3 1 268.405 -0.072 20 0 CBADMP CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001158533406 815537317 /nfs/dbraw/zinc/53/73/17/815537317.db2.gz LKEFXVGYOOFMSJ-HOTUBEGUSA-N 2 1 255.318 -0.783 20 0 CBADMP C[NH2+][C@@H](C)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001118568909 812577903 /nfs/dbraw/zinc/57/79/03/812577903.db2.gz JEZZTJCNOXJUHT-LBPRGKRZSA-N 2 1 256.394 -0.262 20 0 CBADMP Cc1[nH+]ccn1CCCCNC(=O)c1cn(CC[NH3+])nn1 ZINC001118570014 812578991 /nfs/dbraw/zinc/57/89/91/812578991.db2.gz WZMHIPDMFOETAT-UHFFFAOYSA-N 2 1 291.359 -0.048 20 0 CBADMP CN(CC1C[NH+](C)C1)C(=O)CN1CC[NH+](C)CC1 ZINC001118772912 812624339 /nfs/dbraw/zinc/62/43/39/812624339.db2.gz TXTKIUZSXOUKPQ-UHFFFAOYSA-N 2 1 254.378 -0.746 20 0 CBADMP COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1cc[nH+]c(N)n1)CC2 ZINC001158634829 815541698 /nfs/dbraw/zinc/54/16/98/815541698.db2.gz HEUWDQVTGURCMX-TVQRCGJNSA-N 2 1 277.328 -0.210 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001118861483 812644256 /nfs/dbraw/zinc/64/42/56/812644256.db2.gz JFPFILDFFPKVAM-QWRGUYRKSA-N 2 1 258.366 -0.650 20 0 CBADMP C[N@@H+](C1CN(c2ncc3c(n2)C[NH2+]C3)C1)[C@H]1CCOC1 ZINC001158731711 815545424 /nfs/dbraw/zinc/54/54/24/815545424.db2.gz VMTWJLJFNQXGQE-NSHDSACASA-N 2 1 275.356 -0.011 20 0 CBADMP COCC1([N@@H+](C)CC(=O)N2CC[NH2+]CC2)CCC1 ZINC001119002268 812688192 /nfs/dbraw/zinc/68/81/92/812688192.db2.gz JWENSWCGOOKVTO-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC[C@H](C)[NH3+])C[C@H]1C ZINC001119294722 812744107 /nfs/dbraw/zinc/74/41/07/812744107.db2.gz HMLZPRIWFRNZOZ-TUAOUCFPSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC[C@H](C)[NH3+])C[C@H]1C ZINC001119294722 812744113 /nfs/dbraw/zinc/74/41/13/812744113.db2.gz HMLZPRIWFRNZOZ-TUAOUCFPSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001119294890 812744381 /nfs/dbraw/zinc/74/43/81/812744381.db2.gz MOJAVNDVVMAOCV-QWRGUYRKSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001119294810 812744667 /nfs/dbraw/zinc/74/46/67/812744667.db2.gz KFXCMVRZSVTGSC-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001119295858 812745496 /nfs/dbraw/zinc/74/54/96/812745496.db2.gz YVVWCNMFHKSSDY-AVGNSLFASA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001119295863 812745666 /nfs/dbraw/zinc/74/56/66/812745666.db2.gz YVVWCNMFHKSSDY-YNEHKIRRSA-N 2 1 296.415 -0.027 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001119363410 812767516 /nfs/dbraw/zinc/76/75/16/812767516.db2.gz XZDUWVKCUKISOS-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC[N@H+]1C ZINC001119407221 812776963 /nfs/dbraw/zinc/77/69/63/812776963.db2.gz GLLFUEDLEOXWLW-JHJVBQTASA-N 2 1 296.415 -0.075 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119409655 812777200 /nfs/dbraw/zinc/77/72/00/812777200.db2.gz LEJRPRIEYJJLNZ-HAQNSBGRSA-N 2 1 272.393 -0.009 20 0 CBADMP COC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])Cc2cn(C)nc21 ZINC001159017189 815555125 /nfs/dbraw/zinc/55/51/25/815555125.db2.gz BJLVHQGBMIVCSJ-QWRGUYRKSA-N 2 1 281.360 -0.832 20 0 CBADMP COCc1[nH]nc2c1CN(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001159090607 815559156 /nfs/dbraw/zinc/55/91/56/815559156.db2.gz FZWOILMPXQOTJO-SECBINFHSA-N 2 1 267.333 -0.536 20 0 CBADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)C(C)(C)C[NH+](C)C ZINC001119834464 812893474 /nfs/dbraw/zinc/89/34/74/812893474.db2.gz MWCFPRTXLCADON-NEPJUHHUSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C(C)(C)C[NH+](C)C ZINC001119834464 812893482 /nfs/dbraw/zinc/89/34/82/812893482.db2.gz MWCFPRTXLCADON-NEPJUHHUSA-N 2 1 298.431 -0.101 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCCCC2)C1 ZINC001120130064 812934608 /nfs/dbraw/zinc/93/46/08/812934608.db2.gz UCZBLYMSBOTPMR-LBPRGKRZSA-N 2 1 296.415 -0.168 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)NCC1([NH3+])CC1 ZINC001120516973 812979169 /nfs/dbraw/zinc/97/91/69/812979169.db2.gz WJUOEHJIQZRQML-UHFFFAOYSA-N 2 1 258.366 -0.255 20 0 CBADMP CC1(C)C[NH2+]C[C@H]1NC(=O)NCC(F)(F)C[NH3+] ZINC001120544168 812987646 /nfs/dbraw/zinc/98/76/46/812987646.db2.gz PGEVSLUCJMEJLV-SSDOTTSWSA-N 2 1 250.293 -0.122 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)NCCCCC[NH+]1CCNCC1 ZINC001120542691 812987795 /nfs/dbraw/zinc/98/77/95/812987795.db2.gz OWVYWUGQCGGMMS-CYBMUJFWSA-N 2 1 285.436 -0.044 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)NCCCCC[NH+]1CCNCC1 ZINC001120542692 812987922 /nfs/dbraw/zinc/98/79/22/812987922.db2.gz OWVYWUGQCGGMMS-ZDUSSCGKSA-N 2 1 285.436 -0.044 20 0 CBADMP N[C@@]1(C(=O)N2CC3(C2)CC[N@@H+](CC2CC2)C3)CC[NH2+]C1 ZINC001159291610 815567833 /nfs/dbraw/zinc/56/78/33/815567833.db2.gz QYYLGTVSNXZNNY-HNNXBMFYSA-N 2 1 278.400 -0.379 20 0 CBADMP [NH3+]CCNCC(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159290550 815567902 /nfs/dbraw/zinc/56/79/02/815567902.db2.gz GTMSAIWGAMRNBY-UHFFFAOYSA-N 2 1 266.389 -0.521 20 0 CBADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001120573658 812994357 /nfs/dbraw/zinc/99/43/57/812994357.db2.gz HBBORCDIQGCFPR-HZPDHXFCSA-N 2 1 298.475 -0.085 20 0 CBADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC001120573658 812994361 /nfs/dbraw/zinc/99/43/61/812994361.db2.gz HBBORCDIQGCFPR-HZPDHXFCSA-N 2 1 298.475 -0.085 20 0 CBADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC001120573658 812994370 /nfs/dbraw/zinc/99/43/70/812994370.db2.gz HBBORCDIQGCFPR-HZPDHXFCSA-N 2 1 298.475 -0.085 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC ZINC001159327722 815569485 /nfs/dbraw/zinc/56/94/85/815569485.db2.gz NDNGTPDYWRMTKF-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001159334333 815570013 /nfs/dbraw/zinc/57/00/13/815570013.db2.gz CJIDGRTVRMFSAV-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCO ZINC001159356297 815571814 /nfs/dbraw/zinc/57/18/14/815571814.db2.gz VDYJXHHDDAUSJK-GFCCVEGCSA-N 2 1 257.378 -0.051 20 0 CBADMP CN(CC[NH3+])CCNc1cc[nH+]c(N2CCOCC2)n1 ZINC001159437720 815572774 /nfs/dbraw/zinc/57/27/74/815572774.db2.gz MMIQRQMHFPCOJP-UHFFFAOYSA-N 2 1 280.376 -0.384 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@H](C[NH3+])C1 ZINC001121811356 813077986 /nfs/dbraw/zinc/07/79/86/813077986.db2.gz ZTKMAFYWGJLFHE-IJLUTSLNSA-N 2 1 252.362 -0.818 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC001121810419 813078506 /nfs/dbraw/zinc/07/85/06/813078506.db2.gz JEMOPWKOZVSROB-GRYCIOLGSA-N 2 1 252.362 -0.805 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121908827 813088192 /nfs/dbraw/zinc/08/81/92/813088192.db2.gz FEIKJIXGVCSLLQ-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)CNCC[NH3+])C[C@H](C)O1 ZINC001121983042 813099576 /nfs/dbraw/zinc/09/95/76/813099576.db2.gz WAPSKCAPJYVFAG-RYUDHWBXSA-N 2 1 286.420 -0.461 20 0 CBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)CNCC[NH3+])C[C@@H](C)O1 ZINC001121983044 813101335 /nfs/dbraw/zinc/10/13/35/813101335.db2.gz WAPSKCAPJYVFAG-VXGBXAGGSA-N 2 1 286.420 -0.461 20 0 CBADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001121989682 813101478 /nfs/dbraw/zinc/10/14/78/813101478.db2.gz VKKFOAFRXVDNBO-YRGRVCCFSA-N 2 1 269.389 -0.053 20 0 CBADMP [NH3+]CCNCC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001122003030 813102507 /nfs/dbraw/zinc/10/25/07/813102507.db2.gz AOOOQHNPNCMBTP-CHWSQXEVSA-N 2 1 284.404 -0.706 20 0 CBADMP [NH3+]CCNCC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001122003031 813102883 /nfs/dbraw/zinc/10/28/83/813102883.db2.gz AOOOQHNPNCMBTP-OLZOCXBDSA-N 2 1 284.404 -0.706 20 0 CBADMP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCn1cc[nH+]c1C ZINC001121996049 813103254 /nfs/dbraw/zinc/10/32/54/813103254.db2.gz BRODASPKHPOEDN-MWLCHTKSSA-N 2 1 254.334 -0.476 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001122009645 813103750 /nfs/dbraw/zinc/10/37/50/813103750.db2.gz VIJCPMPOFPLFOK-UHFFFAOYSA-N 2 1 280.416 -0.118 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[NH2+]CCN1C ZINC001122005757 813103830 /nfs/dbraw/zinc/10/38/30/813103830.db2.gz SUVQBEGJOFDMJD-KGYLQXTDSA-N 2 1 266.389 -0.511 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001122009472 813104471 /nfs/dbraw/zinc/10/44/71/813104471.db2.gz QCOJCPYORZLQBO-DYEKYZERSA-N 2 1 266.389 -0.510 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001122023198 813106597 /nfs/dbraw/zinc/10/65/97/813106597.db2.gz KYCJPKHOGDOUIW-DTWKUNHWSA-N 2 1 251.334 -0.158 20 0 CBADMP Cc1[nH+]ccn1CCCN(C)C(=O)C[C@@H](O)C[NH3+] ZINC001122046772 813109391 /nfs/dbraw/zinc/10/93/91/813109391.db2.gz OVNKCCCEYOLPOY-LLVKDONJSA-N 2 1 254.334 -0.250 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001122144155 813124217 /nfs/dbraw/zinc/12/42/17/813124217.db2.gz VJWITJPPHLXYRA-ZZIFITQXSA-N 2 1 269.389 -0.056 20 0 CBADMP [NH3+]C[C@@H](O)CNC(=O)[C@H]1[NH2+]CCOc2ccccc21 ZINC001122150323 813124942 /nfs/dbraw/zinc/12/49/42/813124942.db2.gz XPWCHTWTYMRUJC-SKDRFNHKSA-N 2 1 265.313 -0.855 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001122165320 813126971 /nfs/dbraw/zinc/12/69/71/813126971.db2.gz BEFLQIRUHZTDOT-XUJVJEKNSA-N 2 1 294.399 -0.416 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001122197180 813131261 /nfs/dbraw/zinc/13/12/61/813131261.db2.gz XTWXJZZSLYVCTK-LPWJVIDDSA-N 2 1 266.389 -0.239 20 0 CBADMP C[C@H](C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)N1CC[NH+](C)CC1 ZINC001122244941 813137247 /nfs/dbraw/zinc/13/72/47/813137247.db2.gz BFLJOXGOXUEWCQ-VXGBXAGGSA-N 2 1 268.405 -0.182 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@H]1C[C@H](C[NH3+])C1)c1cnn(C)c1 ZINC001122309516 813144353 /nfs/dbraw/zinc/14/43/53/813144353.db2.gz UCRTVSNBVJSHSV-FBIMIBRVSA-N 2 1 251.334 -0.466 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC001122362534 813153663 /nfs/dbraw/zinc/15/36/63/813153663.db2.gz CYIYIPXDHDEVDF-QWRGUYRKSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC001122362534 813153666 /nfs/dbraw/zinc/15/36/66/813153666.db2.gz CYIYIPXDHDEVDF-QWRGUYRKSA-N 2 1 255.362 -0.179 20 0 CBADMP O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001122386339 813157228 /nfs/dbraw/zinc/15/72/28/813157228.db2.gz ZUWDRVIYSZIFQE-FRRDWIJNSA-N 2 1 267.373 -0.300 20 0 CBADMP C[C@@H](NC(=O)C1CC[NH2+]CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001122447128 813164961 /nfs/dbraw/zinc/16/49/61/813164961.db2.gz BILZNJRWOZPZIY-YPMHNXCESA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@H]1C[N@@H+](C)CCN1C ZINC001122447567 813165717 /nfs/dbraw/zinc/16/57/17/813165717.db2.gz FSRPOXFZXQCZOH-JHJVBQTASA-N 2 1 268.405 -0.121 20 0 CBADMP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001122484296 813169293 /nfs/dbraw/zinc/16/92/93/813169293.db2.gz NYECAZVSFQGKNF-ZDEQEGDKSA-N 2 1 266.389 -0.654 20 0 CBADMP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001122535921 813174115 /nfs/dbraw/zinc/17/41/15/813174115.db2.gz LSZNZNBAMPLOTM-GRYCIOLGSA-N 2 1 255.362 -0.219 20 0 CBADMP O=C([C@H]1CC[NH2+]1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001122535763 813175011 /nfs/dbraw/zinc/17/50/11/813175011.db2.gz HGMUJJUOBVVYPL-UTUOFQBUSA-N 2 1 253.346 -0.594 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@@H]3COCC[NH2+]3)[C@@H]2C1 ZINC001122571618 813176707 /nfs/dbraw/zinc/17/67/07/813176707.db2.gz BDEHJCMHBUVZMH-LOWDOPEQSA-N 2 1 267.373 -0.179 20 0 CBADMP NS(=O)(=O)c1ccc(Cl)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001159787699 815596225 /nfs/dbraw/zinc/59/62/25/815596225.db2.gz BQVZNYONWQDWKG-QMMMGPOBSA-N 2 1 293.780 -0.182 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001159837797 815600051 /nfs/dbraw/zinc/60/00/51/815600051.db2.gz FTRNUWWOAZBJTJ-CYBMUJFWSA-N 2 1 298.431 -0.194 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001159838720 815600124 /nfs/dbraw/zinc/60/01/24/815600124.db2.gz OLYDIFIGDWHDGC-STQMWFEESA-N 2 1 298.431 -0.066 20 0 CBADMP CC[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159882553 815602474 /nfs/dbraw/zinc/60/24/74/815602474.db2.gz DLJXNDCORJJFDN-GFCCVEGCSA-N 2 1 267.377 -0.071 20 0 CBADMP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159877094 815602973 /nfs/dbraw/zinc/60/29/73/815602973.db2.gz NIIOVKSAVXVJHI-CHWSQXEVSA-N 2 1 297.403 -0.710 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CCCC1 ZINC001123482109 813243164 /nfs/dbraw/zinc/24/31/64/813243164.db2.gz KASZDJGJPOSRSS-STQMWFEESA-N 2 1 266.389 -0.413 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CCC1 ZINC001123672376 813258900 /nfs/dbraw/zinc/25/89/00/813258900.db2.gz UUUXKNYDCVCSKW-NWDGAFQWSA-N 2 1 252.362 -0.803 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001123878685 813286036 /nfs/dbraw/zinc/28/60/36/813286036.db2.gz ZQEFHJFRTOLGRT-SRVKXCTJSA-N 2 1 254.378 -0.559 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001124835909 813485182 /nfs/dbraw/zinc/48/51/82/813485182.db2.gz CBGQZKMIGGZCHD-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)n1C ZINC001124838078 813486386 /nfs/dbraw/zinc/48/63/86/813486386.db2.gz SKLZAIXJLMYOKE-NSHDSACASA-N 2 1 294.403 -0.323 20 0 CBADMP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)n1C ZINC001124838078 813486390 /nfs/dbraw/zinc/48/63/90/813486390.db2.gz SKLZAIXJLMYOKE-NSHDSACASA-N 2 1 294.403 -0.323 20 0 CBADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001124866738 813490172 /nfs/dbraw/zinc/49/01/72/813490172.db2.gz JZTBXEDCVKHKBP-WCQYABFASA-N 2 1 296.415 -0.299 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124873027 813492667 /nfs/dbraw/zinc/49/26/67/813492667.db2.gz RMLLZSCVBPSJIW-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124879120 813494854 /nfs/dbraw/zinc/49/48/54/813494854.db2.gz QBLCFMQJLMKFDV-RYUDHWBXSA-N 2 1 257.378 -0.053 20 0 CBADMP Cn1nccc1CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124877969 813494871 /nfs/dbraw/zinc/49/48/71/813494871.db2.gz JLIJKWVZBCUFDI-ZDUSSCGKSA-N 2 1 279.388 -0.237 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cncc(F)c2)C1 ZINC001125213840 813532577 /nfs/dbraw/zinc/53/25/77/813532577.db2.gz LWYGOOOFOCFGJP-CYBMUJFWSA-N 2 1 296.346 -0.243 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cncc(F)c2)C1 ZINC001125213840 813532585 /nfs/dbraw/zinc/53/25/85/813532585.db2.gz LWYGOOOFOCFGJP-CYBMUJFWSA-N 2 1 296.346 -0.243 20 0 CBADMP CC[C@H](F)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220895 813535453 /nfs/dbraw/zinc/53/54/53/813535453.db2.gz MDAAQEWQZXBYLE-WDEREUQCSA-N 2 1 261.341 -0.229 20 0 CBADMP CC[C@H](F)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220895 813535458 /nfs/dbraw/zinc/53/54/58/813535458.db2.gz MDAAQEWQZXBYLE-WDEREUQCSA-N 2 1 261.341 -0.229 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOCC2CCC2)C1 ZINC001125221425 813536941 /nfs/dbraw/zinc/53/69/41/813536941.db2.gz QFUZWZWIGHXQIV-CQSZACIVSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOCC2CCC2)C1 ZINC001125221425 813536947 /nfs/dbraw/zinc/53/69/47/813536947.db2.gz QFUZWZWIGHXQIV-CQSZACIVSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOCC2CCC2)C1 ZINC001125221423 813537089 /nfs/dbraw/zinc/53/70/89/813537089.db2.gz QFUZWZWIGHXQIV-AWEZNQCLSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOCC2CCC2)C1 ZINC001125221423 813537096 /nfs/dbraw/zinc/53/70/96/813537096.db2.gz QFUZWZWIGHXQIV-AWEZNQCLSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCC2CCOCC2)C1 ZINC001125221649 813537191 /nfs/dbraw/zinc/53/71/91/813537191.db2.gz RJNULYDORHBKGB-AWEZNQCLSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCC2CCOCC2)C1 ZINC001125221649 813537198 /nfs/dbraw/zinc/53/71/98/813537198.db2.gz RJNULYDORHBKGB-AWEZNQCLSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCOC2)C1 ZINC001125226627 813538737 /nfs/dbraw/zinc/53/87/37/813538737.db2.gz FIVZLHLEIDDAOQ-NEPJUHHUSA-N 2 1 271.361 -0.941 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCOC2)C1 ZINC001125226627 813538742 /nfs/dbraw/zinc/53/87/42/813538742.db2.gz FIVZLHLEIDDAOQ-NEPJUHHUSA-N 2 1 271.361 -0.941 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001127065669 813710323 /nfs/dbraw/zinc/71/03/23/813710323.db2.gz CUNUUECIHUJGKL-VXGBXAGGSA-N 2 1 282.388 -0.547 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001127082563 813711330 /nfs/dbraw/zinc/71/13/30/813711330.db2.gz UYEGNLNFDAJZRH-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127077671 813712060 /nfs/dbraw/zinc/71/20/60/813712060.db2.gz GVQTUYGUYHQQJP-RYUDHWBXSA-N 2 1 284.404 -0.301 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127257352 813721177 /nfs/dbraw/zinc/72/11/77/813721177.db2.gz XVMPCHHYVNWZKY-OLZOCXBDSA-N 2 1 296.415 -0.297 20 0 CBADMP O=C(NCC[NH2+]CCCO)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255357 813721569 /nfs/dbraw/zinc/72/15/69/813721569.db2.gz IWSWIMDFRVPNGC-OLZOCXBDSA-N 2 1 269.389 -0.051 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256542 813722118 /nfs/dbraw/zinc/72/21/18/813722118.db2.gz OVMWIDXPFLZNJD-NWDGAFQWSA-N 2 1 282.388 -0.687 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127473626 813732186 /nfs/dbraw/zinc/73/21/86/813732186.db2.gz AVNRDAFATMOSGD-GFCCVEGCSA-N 2 1 292.387 -0.637 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCOCCO)CC[N@H+]1C ZINC001127638747 813739641 /nfs/dbraw/zinc/73/96/41/813739641.db2.gz OMWWZAYEQJYYJU-VXGBXAGGSA-N 2 1 273.377 -0.959 20 0 CBADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]CC(=O)NC ZINC001127673605 813740711 /nfs/dbraw/zinc/74/07/11/813740711.db2.gz AHEJFTRLXHGVHT-NSHDSACASA-N 2 1 295.387 -0.152 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)CC[N@H+]1C ZINC001127685324 813741284 /nfs/dbraw/zinc/74/12/84/813741284.db2.gz NHPFLIOXMUCNMI-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)CC[N@H+]1C ZINC001127690998 813741443 /nfs/dbraw/zinc/74/14/43/813741443.db2.gz WDGRXINEIOHYLN-ZYHUDNBSSA-N 2 1 282.388 -0.689 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127695128 813741570 /nfs/dbraw/zinc/74/15/70/813741570.db2.gz BURZCPAMUQZXCJ-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2cnn(C)n2)CC[N@@H+]1C ZINC001127695436 813741739 /nfs/dbraw/zinc/74/17/39/813741739.db2.gz KYLRLDDIMHRQSP-QWHCGFSZSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2cnn(C)n2)CC[N@H+]1C ZINC001127695436 813741742 /nfs/dbraw/zinc/74/17/42/813741742.db2.gz KYLRLDDIMHRQSP-QWHCGFSZSA-N 2 1 294.403 -0.249 20 0 CBADMP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127690496 813741861 /nfs/dbraw/zinc/74/18/61/813741861.db2.gz LAMHOUVFKPTWFR-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127691032 813741973 /nfs/dbraw/zinc/74/19/73/813741973.db2.gz YMVZZLKUKRPJRX-GHMZBOCLSA-N 2 1 270.377 -0.832 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001127701287 813742048 /nfs/dbraw/zinc/74/20/48/813742048.db2.gz MVARIUIBPNNNHK-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2ncnn2C)CC[N@@H+]1C ZINC001127689939 813742108 /nfs/dbraw/zinc/74/21/08/813742108.db2.gz CSHMZKWWRSQSDT-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2ncnn2C)CC[N@H+]1C ZINC001127689939 813742115 /nfs/dbraw/zinc/74/21/15/813742115.db2.gz CSHMZKWWRSQSDT-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2ccn(C)n2)CC[N@@H+]1C ZINC001127690179 813742407 /nfs/dbraw/zinc/74/24/07/813742407.db2.gz FJDSUQWMMJHZRD-DGCLKSJQSA-N 2 1 279.388 -0.034 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2ccn(C)n2)CC[N@H+]1C ZINC001127690179 813742413 /nfs/dbraw/zinc/74/24/13/813742413.db2.gz FJDSUQWMMJHZRD-DGCLKSJQSA-N 2 1 279.388 -0.034 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)CC[N@H+]1C ZINC001127695056 813742706 /nfs/dbraw/zinc/74/27/06/813742706.db2.gz ANPJVBJLUGFOJO-QJPTWQEYSA-N 2 1 282.388 -0.689 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2cn(C)nn2)CC[N@@H+]1C ZINC001127701471 813742770 /nfs/dbraw/zinc/74/27/70/813742770.db2.gz PQENBQBAGAJDKU-QWHCGFSZSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2cn(C)nn2)CC[N@H+]1C ZINC001127701471 813742775 /nfs/dbraw/zinc/74/27/75/813742775.db2.gz PQENBQBAGAJDKU-QWHCGFSZSA-N 2 1 294.403 -0.249 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001128779754 813798493 /nfs/dbraw/zinc/79/84/93/813798493.db2.gz XOUBSLTWFUDZKT-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](CC)C(N)=O ZINC001128784101 813798785 /nfs/dbraw/zinc/79/87/85/813798785.db2.gz LDSLVGUGCSQKOD-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001128784096 813799319 /nfs/dbraw/zinc/79/93/19/813799319.db2.gz LDSLVGUGCSQKOD-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001128786801 813799476 /nfs/dbraw/zinc/79/94/76/813799476.db2.gz WDGTYMDBTTXYFR-VXGBXAGGSA-N 2 1 257.378 -0.053 20 0 CBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001128779172 813799953 /nfs/dbraw/zinc/79/99/53/813799953.db2.gz QODNMBLNJGFDTF-CYBMUJFWSA-N 2 1 294.403 -0.105 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001128779172 813799959 /nfs/dbraw/zinc/79/99/59/813799959.db2.gz QODNMBLNJGFDTF-CYBMUJFWSA-N 2 1 294.403 -0.105 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328402 813836293 /nfs/dbraw/zinc/83/62/93/813836293.db2.gz PIFOSJAMUOFQHN-GFCCVEGCSA-N 2 1 284.404 -0.584 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001129341807 813836780 /nfs/dbraw/zinc/83/67/80/813836780.db2.gz ZQMUBAHYZPVPAB-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP CCC[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129386036 813839062 /nfs/dbraw/zinc/83/90/62/813839062.db2.gz JHHYXHORHLQTDA-LBPRGKRZSA-N 2 1 267.377 -0.071 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129386822 813839203 /nfs/dbraw/zinc/83/92/03/813839203.db2.gz POSHKVHDRXSVEF-ZDUSSCGKSA-N 2 1 297.403 -0.444 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001129436750 813842424 /nfs/dbraw/zinc/84/24/24/813842424.db2.gz SDFMOAPXZQAPHR-ZDUSSCGKSA-N 2 1 294.403 -0.156 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21)C(N)=O ZINC001129429672 813842868 /nfs/dbraw/zinc/84/28/68/813842868.db2.gz JLCKGXOXYNBWRL-QWRGUYRKSA-N 2 1 293.371 -0.270 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(N)=O ZINC001129418856 813843031 /nfs/dbraw/zinc/84/30/31/813843031.db2.gz XLEKFRNPOUZAIO-WCQYABFASA-N 2 1 296.415 -0.027 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)nn1 ZINC001129437347 813844923 /nfs/dbraw/zinc/84/49/23/813844923.db2.gz ZFKMAYQXHJBABF-LBPRGKRZSA-N 2 1 280.376 -0.639 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+]CCNC(=O)C1CC1)C1CCC1 ZINC001129532263 813848548 /nfs/dbraw/zinc/84/85/48/813848548.db2.gz XOQDCCJPWZESDP-UHFFFAOYSA-N 2 1 296.415 -0.297 20 0 CBADMP CN1CC[C@H]([NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001129535248 813848962 /nfs/dbraw/zinc/84/89/62/813848962.db2.gz MJCNFMJCMZFNPI-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+][C@@H]1CCCNC1=O)C1CCC1 ZINC001129532213 813849212 /nfs/dbraw/zinc/84/92/12/813849212.db2.gz VJCJTKBBVVXCOH-GFCCVEGCSA-N 2 1 282.388 -0.545 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)c1nnnn1C)[NH+](C)C ZINC001129947054 813883357 /nfs/dbraw/zinc/88/33/57/813883357.db2.gz HRWQMJYMFYZEEU-MNOVXSKESA-N 2 1 297.407 -0.437 20 0 CBADMP CC(C)OCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184298 813912996 /nfs/dbraw/zinc/91/29/96/813912996.db2.gz KJJRMQHXHLHQGK-CHWSQXEVSA-N 2 1 287.404 -0.164 20 0 CBADMP CC(C)OCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184298 813913007 /nfs/dbraw/zinc/91/30/07/813913007.db2.gz KJJRMQHXHLHQGK-CHWSQXEVSA-N 2 1 287.404 -0.164 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCOC2CCC2)O1 ZINC001130182324 813913355 /nfs/dbraw/zinc/91/33/55/813913355.db2.gz CGLNROBVOVVXAY-TZMCWYRMSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCOC2CCC2)O1 ZINC001130182324 813913359 /nfs/dbraw/zinc/91/33/59/813913359.db2.gz CGLNROBVOVVXAY-TZMCWYRMSA-N 2 1 299.415 -0.020 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186243 813916615 /nfs/dbraw/zinc/91/66/15/813916615.db2.gz DJXRPEGSSYGOEG-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130187518 813916720 /nfs/dbraw/zinc/91/67/20/813916720.db2.gz WZOCPRQYNLKJAP-WDEREUQCSA-N 2 1 268.361 -0.806 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130186287 813916759 /nfs/dbraw/zinc/91/67/59/813916759.db2.gz FCYCBGGTARPQLU-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[C@H](C(=O)NCC[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001130203410 813918588 /nfs/dbraw/zinc/91/85/88/813918588.db2.gz KOHGJQQORFXKHJ-LLVKDONJSA-N 2 1 268.365 -0.639 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130296890 813922307 /nfs/dbraw/zinc/92/23/07/813922307.db2.gz DLLVCUISNDYRSJ-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130296890 813922311 /nfs/dbraw/zinc/92/23/11/813922311.db2.gz DLLVCUISNDYRSJ-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001130296883 813923323 /nfs/dbraw/zinc/92/33/23/813923323.db2.gz DDBDFASEZHBJCL-QWRGUYRKSA-N 2 1 268.361 -0.935 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)nn1 ZINC001130304253 813924512 /nfs/dbraw/zinc/92/45/12/813924512.db2.gz YWERRFBQUNUUMA-ZDUSSCGKSA-N 2 1 294.403 -0.012 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)nn1 ZINC001130304253 813924518 /nfs/dbraw/zinc/92/45/18/813924518.db2.gz YWERRFBQUNUUMA-ZDUSSCGKSA-N 2 1 294.403 -0.012 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130297730 813924914 /nfs/dbraw/zinc/92/49/14/813924914.db2.gz QGSJPEZDIDFURV-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001130425226 813938289 /nfs/dbraw/zinc/93/82/89/813938289.db2.gz OKSSPKHTQATZFT-UHFFFAOYSA-N 2 1 299.419 -0.552 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001130419150 813939230 /nfs/dbraw/zinc/93/92/30/813939230.db2.gz MVJUVXPILWZFSQ-UHFFFAOYSA-N 2 1 286.420 -0.053 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001130425422 813939557 /nfs/dbraw/zinc/93/95/57/813939557.db2.gz YOJIUMYGFJGLJT-LLVKDONJSA-N 2 1 275.393 -0.570 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001130709214 813968628 /nfs/dbraw/zinc/96/86/28/813968628.db2.gz XFYAMXSYHANVFI-VXGBXAGGSA-N 2 1 284.404 -0.314 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130713518 813970412 /nfs/dbraw/zinc/97/04/12/813970412.db2.gz RCPVKWAWTMCSPZ-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001131377479 814026419 /nfs/dbraw/zinc/02/64/19/814026419.db2.gz UMHSRZSBBWKHHN-UHFFFAOYSA-N 2 1 279.344 -0.870 20 0 CBADMP CCN1CC[C@H]([NH2+]CCNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001131384538 814027739 /nfs/dbraw/zinc/02/77/39/814027739.db2.gz CTXZUCUXEOUYLR-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001131380216 814028413 /nfs/dbraw/zinc/02/84/13/814028413.db2.gz HMDQKDUOAALGQW-UHFFFAOYSA-N 2 1 293.371 -0.576 20 0 CBADMP C[C@@H](O)C[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131424352 814032171 /nfs/dbraw/zinc/03/21/71/814032171.db2.gz OFURHZHRAPFIGM-LLVKDONJSA-N 2 1 280.372 -0.152 20 0 CBADMP C[N@@H+](CCC(=O)NCC[NH2+]CC(N)=O)C1CCCCC1 ZINC001131815534 814072552 /nfs/dbraw/zinc/07/25/52/814072552.db2.gz HZQAEQSWSHLBSY-UHFFFAOYSA-N 2 1 284.404 -0.168 20 0 CBADMP COC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132852121 814193915 /nfs/dbraw/zinc/19/39/15/814193915.db2.gz HZVONGIUVUXJTR-STQMWFEESA-N 2 1 287.404 -0.164 20 0 CBADMP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132848823 814194176 /nfs/dbraw/zinc/19/41/76/814194176.db2.gz SWEKIAYBTCIKRF-QWHCGFSZSA-N 2 1 287.404 -0.164 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132853408 814195688 /nfs/dbraw/zinc/19/56/88/814195688.db2.gz ZYDDXPNRIPOKCA-ZDUSSCGKSA-N 2 1 287.404 -0.162 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132882138 814197300 /nfs/dbraw/zinc/19/73/00/814197300.db2.gz ANNKRKAJEBIMFR-QWRGUYRKSA-N 2 1 270.377 -0.832 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001132893698 814198890 /nfs/dbraw/zinc/19/88/90/814198890.db2.gz XZLBPWMDEUYWIP-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893625 814199105 /nfs/dbraw/zinc/19/91/05/814199105.db2.gz WGNLQWRDAWEJSJ-SRVKXCTJSA-N 2 1 284.404 -0.443 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001132892827 814200002 /nfs/dbraw/zinc/20/00/02/814200002.db2.gz BRKKAJZWKQNVPU-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001132993027 814207389 /nfs/dbraw/zinc/20/73/89/814207389.db2.gz KBLGHOGEPHOKPH-UHFFFAOYSA-N 2 1 280.376 -0.637 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040109 814209981 /nfs/dbraw/zinc/20/99/81/814209981.db2.gz BMAZTRTUEGGUDJ-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP CC(C)n1nnnc1C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040130 814210136 /nfs/dbraw/zinc/21/01/36/814210136.db2.gz CDDHQLPQGVUZFH-UHFFFAOYSA-N 2 1 297.407 -0.198 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)CCC[NH+](C)C)n1 ZINC001133040084 814210328 /nfs/dbraw/zinc/21/03/28/814210328.db2.gz ADHYXTSLTRINOF-UHFFFAOYSA-N 2 1 267.377 -0.032 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133224777 814232253 /nfs/dbraw/zinc/23/22/53/814232253.db2.gz DVQJOBALEWTGKP-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133274339 814233857 /nfs/dbraw/zinc/23/38/57/814233857.db2.gz GMAVANNXTZIXJZ-STQMWFEESA-N 2 1 298.431 -0.112 20 0 CBADMP Cn1nc(C2CC2)nc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133287013 814235332 /nfs/dbraw/zinc/23/53/32/814235332.db2.gz BXOVSBOHMLSTFX-UHFFFAOYSA-N 2 1 294.403 -0.150 20 0 CBADMP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C)[nH]1 ZINC001133287585 814235399 /nfs/dbraw/zinc/23/53/99/814235399.db2.gz JKHMRLRWDJOKKR-SECBINFHSA-N 2 1 268.365 -0.168 20 0 CBADMP C[NH+](C)CCC(=O)NCC[NH2+]Cc1nnnn1C(C)(C)C ZINC001133294818 814239514 /nfs/dbraw/zinc/23/95/14/814239514.db2.gz VTWKRYQOLDWUHN-UHFFFAOYSA-N 2 1 297.407 -0.414 20 0 CBADMP CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)c1nnnn1C)[NH+](C)C ZINC001133418991 814251291 /nfs/dbraw/zinc/25/12/91/814251291.db2.gz HRWQMJYMFYZEEU-GHMZBOCLSA-N 2 1 297.407 -0.437 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)C(N)=O ZINC001133820043 814299321 /nfs/dbraw/zinc/29/93/21/814299321.db2.gz WMALJEYZARSTDB-UWVGGRQHSA-N 2 1 256.350 -0.950 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCn1cncn1 ZINC001133823907 814301286 /nfs/dbraw/zinc/30/12/86/814301286.db2.gz SARIAJCXQVHGPI-GFCCVEGCSA-N 2 1 280.376 -0.532 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@H+]2CCC[C@H]2C)C1=O ZINC001133823474 814303118 /nfs/dbraw/zinc/30/31/18/814303118.db2.gz HKGCCEXWLDGSRH-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCN1CC[C@H]([NH2+]CCNC(=O)C[N@H+]2CCC[C@@H]2C)C1=O ZINC001133823477 814303167 /nfs/dbraw/zinc/30/31/67/814303167.db2.gz HKGCCEXWLDGSRH-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001133845690 814306965 /nfs/dbraw/zinc/30/69/65/814306965.db2.gz LRVYXRJATQOIGB-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133846296 814308138 /nfs/dbraw/zinc/30/81/38/814308138.db2.gz YECCYPKNSVKIPQ-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001133850702 814309007 /nfs/dbraw/zinc/30/90/07/814309007.db2.gz QGMVAWLTJNGRJC-CYBMUJFWSA-N 2 1 288.367 -0.610 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2nncn2C)C1 ZINC001133853152 814309339 /nfs/dbraw/zinc/30/93/39/814309339.db2.gz DLPGQSDLCIJLMD-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2nncn2C)C1 ZINC001133853152 814309348 /nfs/dbraw/zinc/30/93/48/814309348.db2.gz DLPGQSDLCIJLMD-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001133845512 814309613 /nfs/dbraw/zinc/30/96/13/814309613.db2.gz HPYNFSAJQJATOG-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCn1cccn1 ZINC001133862842 814310092 /nfs/dbraw/zinc/31/00/92/814310092.db2.gz GUTDAQBSZSWGJA-OLZOCXBDSA-N 2 1 279.388 -0.213 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001133863957 814310413 /nfs/dbraw/zinc/31/04/13/814310413.db2.gz RZWPPHYRBIFTCB-AAEUAGOBSA-N 2 1 296.415 -0.584 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001133853485 814310435 /nfs/dbraw/zinc/31/04/35/814310435.db2.gz LKBLMDPWPDZRHO-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001133853484 814311172 /nfs/dbraw/zinc/31/11/72/814311172.db2.gz LKBLMDPWPDZRHO-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001133863495 814311544 /nfs/dbraw/zinc/31/15/44/814311544.db2.gz MRVHSAVTDBIKSM-PWSUYJOCSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001133863495 814311553 /nfs/dbraw/zinc/31/15/53/814311553.db2.gz MRVHSAVTDBIKSM-PWSUYJOCSA-N 2 1 280.376 -0.781 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133863923 814311582 /nfs/dbraw/zinc/31/15/82/814311582.db2.gz RHPDXNLTYQAEBI-NEPJUHHUSA-N 2 1 284.404 -0.584 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133863323 814312290 /nfs/dbraw/zinc/31/22/90/814312290.db2.gz LDGIAOSRDHZXLG-OLZOCXBDSA-N 2 1 298.431 -0.338 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001133866714 814313123 /nfs/dbraw/zinc/31/31/23/814313123.db2.gz OBHOBONSQHPLIK-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001133865206 814313679 /nfs/dbraw/zinc/31/36/79/814313679.db2.gz AICDHWRQJCNJBU-DGCLKSJQSA-N 2 1 296.415 -0.584 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133869577 814315205 /nfs/dbraw/zinc/31/52/05/814315205.db2.gz HCXPXUZABBYLJB-NWDGAFQWSA-N 2 1 294.403 -0.299 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869577 814315216 /nfs/dbraw/zinc/31/52/16/814315216.db2.gz HCXPXUZABBYLJB-NWDGAFQWSA-N 2 1 294.403 -0.299 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133869579 814315253 /nfs/dbraw/zinc/31/52/53/814315253.db2.gz HCXPXUZABBYLJB-VXGBXAGGSA-N 2 1 294.403 -0.299 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133869579 814315262 /nfs/dbraw/zinc/31/52/62/814315262.db2.gz HCXPXUZABBYLJB-VXGBXAGGSA-N 2 1 294.403 -0.299 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccnn1C ZINC001133866690 814316345 /nfs/dbraw/zinc/31/63/45/814316345.db2.gz NRUSULWCEQVJHR-AAEUAGOBSA-N 2 1 279.388 -0.176 20 0 CBADMP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133870426 814316809 /nfs/dbraw/zinc/31/68/09/814316809.db2.gz SZBSYMFYEQRGKZ-CHWSQXEVSA-N 2 1 298.431 -0.194 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001133870435 814317637 /nfs/dbraw/zinc/31/76/37/814317637.db2.gz UAEMDSDSHKPZQQ-JQWIXIFHSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1)C(N)=O ZINC001133896698 814320491 /nfs/dbraw/zinc/32/04/91/814320491.db2.gz OUROLNRIOWGQBB-SNVBAGLBSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@H](O)C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896865 814320733 /nfs/dbraw/zinc/32/07/33/814320733.db2.gz SLYBQHYMVSUMQC-NSHDSACASA-N 2 1 257.378 -0.195 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)nn1 ZINC001133906210 814322504 /nfs/dbraw/zinc/32/25/04/814322504.db2.gz QHDSBEHLJSYNHD-UHFFFAOYSA-N 2 1 296.419 -0.001 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)nn1 ZINC001133906210 814322510 /nfs/dbraw/zinc/32/25/10/814322510.db2.gz QHDSBEHLJSYNHD-UHFFFAOYSA-N 2 1 296.419 -0.001 20 0 CBADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+]CC(N)=O ZINC001134723281 814409503 /nfs/dbraw/zinc/40/95/03/814409503.db2.gz AMSFRAWEKDVGAE-UHFFFAOYSA-N 2 1 281.360 -0.412 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001134763117 814411963 /nfs/dbraw/zinc/41/19/63/814411963.db2.gz MJWSSPUCPFPOEO-NSHDSACASA-N 2 1 270.377 -0.560 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001135028032 814430881 /nfs/dbraw/zinc/43/08/81/814430881.db2.gz BLTFEHCUXSMUKS-ZJUUUORDSA-N 2 1 281.360 -0.450 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135096046 814436785 /nfs/dbraw/zinc/43/67/85/814436785.db2.gz ZIPHLPLUBKMENO-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](O)C[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135323182 814460651 /nfs/dbraw/zinc/46/06/51/814460651.db2.gz NXHULFPIWVJRKO-CYBMUJFWSA-N 2 1 287.404 -0.425 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001135307273 814460785 /nfs/dbraw/zinc/46/07/85/814460785.db2.gz TUAIXVFUJZEWRJ-LBPRGKRZSA-N 2 1 293.371 -0.434 20 0 CBADMP COCCC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135340863 814465097 /nfs/dbraw/zinc/46/50/97/814465097.db2.gz KVSRLNZPHYTBLL-UHFFFAOYSA-N 2 1 273.377 -0.549 20 0 CBADMP C[C@H](O)CCC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352723 814467967 /nfs/dbraw/zinc/46/79/67/814467967.db2.gz PCQHBQYEXRNTOM-ZDUSSCGKSA-N 2 1 287.404 -0.425 20 0 CBADMP C[C@H]1CC[C@@H](C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)O1 ZINC001135352703 814468070 /nfs/dbraw/zinc/46/80/70/814468070.db2.gz OOBQTGUVYFTJQP-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CC1CC1 ZINC001135350151 814468177 /nfs/dbraw/zinc/46/81/77/814468177.db2.gz OAMIRLQRGROMJJ-UHFFFAOYSA-N 2 1 255.362 -0.176 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001135352186 814468476 /nfs/dbraw/zinc/46/84/76/814468476.db2.gz CDTZKZMNBANMSK-CQSZACIVSA-N 2 1 299.415 -0.159 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C[NH+](CC)CC)nn1 ZINC001135512886 814481856 /nfs/dbraw/zinc/48/18/56/814481856.db2.gz AQGUNFFGBXJLJV-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC001160274196 815614658 /nfs/dbraw/zinc/61/46/58/815614658.db2.gz QKVNYNUIBDXKCW-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001159624092 815582808 /nfs/dbraw/zinc/58/28/08/815582808.db2.gz HOBIOPZPZVSFME-OUCADQQQSA-N 2 1 285.388 -0.293 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1(CO)CC[NH+](C)CC1 ZINC001142591116 814721036 /nfs/dbraw/zinc/72/10/36/814721036.db2.gz ZUUMUEMIROPEFF-UHFFFAOYSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+]1CCN(c2nccc(N[C@@H]3C[NH2+]C[C@H]3CO)n2)CC1 ZINC001159682607 815589136 /nfs/dbraw/zinc/58/91/36/815589136.db2.gz SJFSOJLBYSVZPR-NWDGAFQWSA-N 2 1 292.387 -0.779 20 0 CBADMP C[NH+](C)C1CN(C(=O)CCN2CC[NH+](C)CC2)C1 ZINC001143224259 814763432 /nfs/dbraw/zinc/76/34/32/814763432.db2.gz QICXOBBHAPMJDD-UHFFFAOYSA-N 2 1 254.378 -0.604 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)CN(C)C(N)=[NH2+])CC2 ZINC001144131475 814773305 /nfs/dbraw/zinc/77/33/05/814773305.db2.gz YRGXKZHGUNYFQL-UHFFFAOYSA-N 2 1 264.333 -0.529 20 0 CBADMP CN(CC(=O)N[C@H](C[NH+]1CCOCC1)C(C)(C)C)C(N)=[NH2+] ZINC001144149149 814773771 /nfs/dbraw/zinc/77/37/71/814773771.db2.gz HBYRMWRMNPEIFU-LLVKDONJSA-N 2 1 299.419 -0.325 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCOCCO ZINC001146710276 814843962 /nfs/dbraw/zinc/84/39/62/814843962.db2.gz JBKUYUXBUASAEM-UHFFFAOYSA-N 2 1 261.366 -0.957 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001146718685 814844990 /nfs/dbraw/zinc/84/49/90/814844990.db2.gz FSWOLFFZJRAYNY-UHFFFAOYSA-N 2 1 270.377 -0.734 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccnn1C ZINC001146718846 814845031 /nfs/dbraw/zinc/84/50/31/814845031.db2.gz HZJFXLJDKGPHIN-UHFFFAOYSA-N 2 1 267.377 -0.032 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001146719906 814845879 /nfs/dbraw/zinc/84/58/79/814845879.db2.gz WAPHCSVBSAYHLR-UHFFFAOYSA-N 2 1 270.377 -0.687 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147841830 814918687 /nfs/dbraw/zinc/91/86/87/814918687.db2.gz JWHPQMGHACBJBA-UHFFFAOYSA-N 2 1 283.376 -0.796 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147876985 814920366 /nfs/dbraw/zinc/92/03/66/814920366.db2.gz BEPQUGWOFDXENX-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147876985 814920372 /nfs/dbraw/zinc/92/03/72/814920372.db2.gz BEPQUGWOFDXENX-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP Cn1nccc1C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147876973 814920891 /nfs/dbraw/zinc/92/08/91/814920891.db2.gz AZIPOGAYPMVUON-GFCCVEGCSA-N 2 1 279.388 -0.032 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147885631 814922659 /nfs/dbraw/zinc/92/26/59/814922659.db2.gz OBCKKNAHIMJKNF-ZDUSSCGKSA-N 2 1 287.404 -0.303 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001147877411 814922829 /nfs/dbraw/zinc/92/28/29/814922829.db2.gz JGBVURUPVQFEEY-ZDUSSCGKSA-N 2 1 296.415 -0.440 20 0 CBADMP CC[C@]([NH3+])(CO)Nc1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001159744031 815591974 /nfs/dbraw/zinc/59/19/74/815591974.db2.gz MWGVMALFURIJQH-CQSZACIVSA-N 2 1 293.371 -0.404 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001159923847 815604849 /nfs/dbraw/zinc/60/48/49/815604849.db2.gz JIOJOPHFNVQQMR-LLVKDONJSA-N 2 1 293.371 -0.398 20 0 CBADMP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156164 815610086 /nfs/dbraw/zinc/61/00/86/815610086.db2.gz ODIHWVGORMSQED-YIYPIFLZSA-N 2 1 295.383 -0.969 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001160451428 815624122 /nfs/dbraw/zinc/62/41/22/815624122.db2.gz OIZNVIPHMGOZKG-STQMWFEESA-N 2 1 296.415 -0.086 20 0 CBADMP C[NH2+]CC1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001160457106 815624899 /nfs/dbraw/zinc/62/48/99/815624899.db2.gz XRFXAIWJMMORSD-UHFFFAOYSA-N 3 1 268.405 -0.214 20 0 CBADMP C[NH2+]CC1CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001160459973 815625145 /nfs/dbraw/zinc/62/51/45/815625145.db2.gz USTZFGGAENARQA-CQSZACIVSA-N 2 1 297.447 -0.805 20 0 CBADMP [NH3+]C[C@@]1(Nc2ncnc3c2C[NH2+]C3)CN2CCC1CC2 ZINC001160511518 815631596 /nfs/dbraw/zinc/63/15/96/815631596.db2.gz OANDYTPSLOYMMB-CQSZACIVSA-N 2 1 274.372 -0.085 20 0 CBADMP [NH3+]C[C@]1(Nc2cc(C3C[NH2+]C3)ncn2)C[NH+]2CCC1CC2 ZINC001160516801 815632559 /nfs/dbraw/zinc/63/25/59/815632559.db2.gz JYADUACXJZEEBF-HNNXBMFYSA-N 3 1 288.399 -0.002 20 0 CBADMP CCOC(=O)[C@@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CCO1 ZINC001160596056 815642499 /nfs/dbraw/zinc/64/24/99/815642499.db2.gz AAJOQWNMTQHSFM-LBPRGKRZSA-N 2 1 299.371 -0.882 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)CC2)c1 ZINC001160603290 815644295 /nfs/dbraw/zinc/64/42/95/815644295.db2.gz UYVYJLYOFBVVBZ-STQMWFEESA-N 2 1 289.383 -0.415 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC(C)([NH+](C)C)C1 ZINC001160645630 815650903 /nfs/dbraw/zinc/65/09/03/815650903.db2.gz RQCIBASWXWVXAM-VIFPVBQESA-N 2 1 257.334 -0.571 20 0 CBADMP C[NH+](C)C1(C)CN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001160646489 815652270 /nfs/dbraw/zinc/65/22/70/815652270.db2.gz ZHLJFVFKCURUDI-UHFFFAOYSA-N 3 1 254.378 -0.510 20 0 CBADMP C[C@H]([NH3+])c1ncc(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)s1 ZINC001160655802 815652972 /nfs/dbraw/zinc/65/29/72/815652972.db2.gz OYHJUNADVRSBBB-XLPZGREQSA-N 2 1 270.358 -0.303 20 0 CBADMP COC(=O)CN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160657835 815653298 /nfs/dbraw/zinc/65/32/98/815653298.db2.gz MOIHKZLRVVHDBC-LBPRGKRZSA-N 2 1 279.340 -0.136 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(C)CC[NH+]1CCCC1 ZINC001160688340 815657082 /nfs/dbraw/zinc/65/70/82/815657082.db2.gz ODLPYSRUAFOCGV-NSHDSACASA-N 2 1 271.361 -0.179 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH2+]C[C@@H]3F)C[C@H]2C1 ZINC001160703339 815660882 /nfs/dbraw/zinc/66/08/82/815660882.db2.gz BRKZPZGJCIYWSJ-KXNHARMFSA-N 2 1 255.337 -0.046 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)CNC3CC[NH2+]CC3)C[C@H]2C1 ZINC001160704778 815661634 /nfs/dbraw/zinc/66/16/34/815661634.db2.gz NYSJJFGORZRWJG-TXEJJXNPSA-N 2 1 266.389 -0.652 20 0 CBADMP C[N@H+]1C[C@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@H]2C1 ZINC001160704778 815661638 /nfs/dbraw/zinc/66/16/38/815661638.db2.gz NYSJJFGORZRWJG-TXEJJXNPSA-N 3 1 266.389 -0.652 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@H]2C1 ZINC001160704778 815661640 /nfs/dbraw/zinc/66/16/40/815661640.db2.gz NYSJJFGORZRWJG-TXEJJXNPSA-N 3 1 266.389 -0.652 20 0 CBADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001160826403 815674677 /nfs/dbraw/zinc/67/46/77/815674677.db2.gz YLQOOQCHZPZLOK-CQSZACIVSA-N 2 1 290.371 -0.997 20 0 CBADMP COC(=O)C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C1 ZINC001160831989 815675317 /nfs/dbraw/zinc/67/53/17/815675317.db2.gz APPPLBROOOVQMC-UWVGGRQHSA-N 2 1 257.334 -0.536 20 0 CBADMP [NH3+]CCNCC(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160856472 815679983 /nfs/dbraw/zinc/67/99/83/815679983.db2.gz YHFUMFOKIKYSLV-HNNXBMFYSA-N 2 1 288.395 -0.024 20 0 CBADMP [NH3+]CCNCC(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160856472 815679989 /nfs/dbraw/zinc/67/99/89/815679989.db2.gz YHFUMFOKIKYSLV-HNNXBMFYSA-N 2 1 288.395 -0.024 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967017 815691012 /nfs/dbraw/zinc/69/10/12/815691012.db2.gz IJMCDPJEEFLYFT-IONNQARKSA-N 2 1 273.287 -0.526 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001160963456 815691148 /nfs/dbraw/zinc/69/11/48/815691148.db2.gz KOKABJMAQVZWFI-UHIISALHSA-N 2 1 283.372 -0.323 20 0 CBADMP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)C[NH2+]C1CC[NH2+]CC1)C2 ZINC001160962941 815691875 /nfs/dbraw/zinc/69/18/75/815691875.db2.gz HSLWLTGWXPMOTC-IUODEOHRSA-N 3 1 280.416 -0.262 20 0 CBADMP N[C@@H]1C[C@]2(C(=O)N3C[C@@H]([NH3+])CC(F)(F)C3)CC[C@H]1[NH2+]2 ZINC001160968662 815692893 /nfs/dbraw/zinc/69/28/93/815692893.db2.gz UITQYTBOJGXASI-SJQPAMGKSA-N 2 1 274.315 -0.597 20 0 CBADMP C[NH+]1CCC2(CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2)CC1 ZINC001160991397 815693223 /nfs/dbraw/zinc/69/32/23/815693223.db2.gz CLOVOSUVYHVGGM-LBPRGKRZSA-N 3 1 268.405 -0.003 20 0 CBADMP C[NH+](C)CCCC(=O)NCCC1=CC[N@H+](CC(N)=O)CC1 ZINC001161030019 815699477 /nfs/dbraw/zinc/69/94/77/815699477.db2.gz TUOQZVLWUSUWAI-UHFFFAOYSA-N 2 1 296.415 -0.048 20 0 CBADMP C[NH+](C)CCCC(=O)NCCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001161030019 815699483 /nfs/dbraw/zinc/69/94/83/815699483.db2.gz TUOQZVLWUSUWAI-UHFFFAOYSA-N 2 1 296.415 -0.048 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001161033740 815700906 /nfs/dbraw/zinc/70/09/06/815700906.db2.gz ZAVHKLOQAPWNCJ-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CC(=O)[C@H]1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001161034806 815701369 /nfs/dbraw/zinc/70/13/69/815701369.db2.gz NDHHTFLLAJBLNT-NSHDSACASA-N 2 1 253.346 -0.235 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001161043002 815702997 /nfs/dbraw/zinc/70/29/97/815702997.db2.gz WCRLKHLCYNRKHT-SNVBAGLBSA-N 2 1 256.350 -0.948 20 0 CBADMP Cn1nncc1C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161041860 815703321 /nfs/dbraw/zinc/70/33/21/815703321.db2.gz MYSBWTLCGADIEX-CYBMUJFWSA-N 2 1 294.403 -0.105 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001161041501 815703365 /nfs/dbraw/zinc/70/33/65/815703365.db2.gz JRZLYSIVALJGES-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161043009 815703617 /nfs/dbraw/zinc/70/36/17/815703617.db2.gz WGFVGIOGGAJZHH-RYUDHWBXSA-N 2 1 257.378 -0.053 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161043165 815703649 /nfs/dbraw/zinc/70/36/49/815703649.db2.gz YOCZKJODTXCIKE-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161043008 815703691 /nfs/dbraw/zinc/70/36/91/815703691.db2.gz WGFVGIOGGAJZHH-NWDGAFQWSA-N 2 1 257.378 -0.053 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001161042696 815703960 /nfs/dbraw/zinc/70/39/60/815703960.db2.gz SEGCHPCKOYYNMF-ZDUSSCGKSA-N 2 1 287.404 -0.425 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCCO ZINC001161052188 815705172 /nfs/dbraw/zinc/70/51/72/815705172.db2.gz IRLPSYRONBXGAJ-LBPRGKRZSA-N 2 1 257.378 -0.051 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161057582 815705225 /nfs/dbraw/zinc/70/52/25/815705225.db2.gz BIQWNTFWDNDYNT-DCAQKATOSA-N 2 1 271.361 -0.005 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001161050837 815705516 /nfs/dbraw/zinc/70/55/16/815705516.db2.gz PZEQZPICWXXWBQ-STQMWFEESA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161050478 815706227 /nfs/dbraw/zinc/70/62/27/815706227.db2.gz NPCNJUKMMVWFNY-QWHCGFSZSA-N 3 1 280.416 -0.264 20 0 CBADMP CN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161065414 815706854 /nfs/dbraw/zinc/70/68/54/815706854.db2.gz RRRGPZCDVZTDCB-BFHYXJOUSA-N 2 1 297.447 -0.535 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@@H]21 ZINC001161080951 815708533 /nfs/dbraw/zinc/70/85/33/815708533.db2.gz AAQZPOCFHJEGCX-WOPDTQHZSA-N 3 1 286.445 -0.442 20 0 CBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@@H]21 ZINC001161080951 815708536 /nfs/dbraw/zinc/70/85/36/815708536.db2.gz AAQZPOCFHJEGCX-WOPDTQHZSA-N 2 1 286.445 -0.442 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@@H]21 ZINC001161080951 815708543 /nfs/dbraw/zinc/70/85/43/815708543.db2.gz AAQZPOCFHJEGCX-WOPDTQHZSA-N 2 1 286.445 -0.442 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C3(N)CC[NH2+]CC3)C[C@@H]21 ZINC001161080990 815709547 /nfs/dbraw/zinc/70/95/47/815709547.db2.gz AUZHPRYCABPCQD-RYUDHWBXSA-N 2 1 266.389 -0.380 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001161083239 815710734 /nfs/dbraw/zinc/71/07/34/815710734.db2.gz RRCGPFTVBOSQLV-SRVKXCTJSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001161083239 815710738 /nfs/dbraw/zinc/71/07/38/815710738.db2.gz RRCGPFTVBOSQLV-SRVKXCTJSA-N 2 1 283.372 -0.181 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@H]21 ZINC001161084043 815710779 /nfs/dbraw/zinc/71/07/79/815710779.db2.gz WLAVQRUZFRWCOF-JHJVBQTASA-N 2 1 267.373 -0.083 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001161083237 815710872 /nfs/dbraw/zinc/71/08/72/815710872.db2.gz RRCGPFTVBOSQLV-SDDRHHMPSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001161083237 815710875 /nfs/dbraw/zinc/71/08/75/815710875.db2.gz RRCGPFTVBOSQLV-SDDRHHMPSA-N 2 1 283.372 -0.181 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C[C@H]21 ZINC001161082409 815710920 /nfs/dbraw/zinc/71/09/20/815710920.db2.gz ORGMIPDSCRQSOY-QJPTWQEYSA-N 2 1 297.403 -0.685 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@H]21 ZINC001161081881 815711620 /nfs/dbraw/zinc/71/16/20/815711620.db2.gz MHOPJWZWXQOMBP-NOOOWODRSA-N 2 1 253.346 -0.738 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@@H]21 ZINC001161081887 815711767 /nfs/dbraw/zinc/71/17/67/815711767.db2.gz MHOPJWZWXQOMBP-RHYQMDGZSA-N 2 1 253.346 -0.738 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@H]21 ZINC001161082048 815711909 /nfs/dbraw/zinc/71/19/09/815711909.db2.gz NJWKLGLBOCUEQN-USZNOCQGSA-N 2 1 253.346 -0.738 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])C[C@@H]21 ZINC001161082885 815711922 /nfs/dbraw/zinc/71/19/22/815711922.db2.gz QGXNEEUBIZHCJF-AGIUHOORSA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@@H]21 ZINC001161082045 815711975 /nfs/dbraw/zinc/71/19/75/815711975.db2.gz NJWKLGLBOCUEQN-RHYQMDGZSA-N 2 1 253.346 -0.738 20 0 CBADMP CC(C)(O)CC[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC001161175662 815724825 /nfs/dbraw/zinc/72/48/25/815724825.db2.gz NLDIBADHGIMSPW-UHFFFAOYSA-N 2 1 255.362 -0.217 20 0 CBADMP COc1cnc(O[C@@H]2CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2)nc1 ZINC001161298467 815737808 /nfs/dbraw/zinc/73/78/08/815737808.db2.gz MPGGZIGVTSEZLH-KOLCDFICSA-N 2 1 295.343 -0.859 20 0 CBADMP CCN(C(=O)CN1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]C1 ZINC001161329623 815741501 /nfs/dbraw/zinc/74/15/01/815741501.db2.gz ANFHSKZTMYKGON-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CC(C)N(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2)[C@H]1CC[NH2+]C1 ZINC001161352696 815745836 /nfs/dbraw/zinc/74/58/36/815745836.db2.gz YSSBTOKQZKPNIU-SFTQSGBHSA-N 2 1 266.389 -0.193 20 0 CBADMP Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)C1 ZINC001161386529 815748382 /nfs/dbraw/zinc/74/83/82/815748382.db2.gz JXDNNZOWEFPMKT-AVGNSLFASA-N 2 1 290.367 -0.084 20 0 CBADMP N[C@@H](C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1)C(F)(F)F ZINC001161377558 815748456 /nfs/dbraw/zinc/74/84/56/815748456.db2.gz HPXLRDRQVBNRAR-UWVGGRQHSA-N 2 1 294.321 -0.100 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412041 815751641 /nfs/dbraw/zinc/75/16/41/815751641.db2.gz FKLXWOSKLZKZHL-HKWIRBFKSA-N 2 1 263.345 -0.525 20 0 CBADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@H]12 ZINC001161413843 815751712 /nfs/dbraw/zinc/75/17/12/815751712.db2.gz RKMHQPXEGSAFCY-KGYLQXTDSA-N 3 1 266.389 -0.476 20 0 CBADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161421685 815753812 /nfs/dbraw/zinc/75/38/12/815753812.db2.gz UBUJIGYXBRTDEF-STQMWFEESA-N 3 1 268.405 -0.038 20 0 CBADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCN2CC[C@H]2C1 ZINC001161421685 815753818 /nfs/dbraw/zinc/75/38/18/815753818.db2.gz UBUJIGYXBRTDEF-STQMWFEESA-N 2 1 268.405 -0.038 20 0 CBADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161421308 815754454 /nfs/dbraw/zinc/75/44/54/815754454.db2.gz QMCQETWDHPCAOV-RYUDHWBXSA-N 3 1 254.378 -0.380 20 0 CBADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN2CC[C@H]2C1 ZINC001161421308 815754459 /nfs/dbraw/zinc/75/44/59/815754459.db2.gz QMCQETWDHPCAOV-RYUDHWBXSA-N 2 1 254.378 -0.380 20 0 CBADMP [NH3+][C@H](C(=O)N1CC[N@H+]2CC[C@H]2C1)C1CC[NH2+]CC1 ZINC001161424147 815755861 /nfs/dbraw/zinc/75/58/61/815755861.db2.gz ZQXMKGRRDNCSEX-RYUDHWBXSA-N 3 1 252.362 -0.770 20 0 CBADMP [NH3+][C@H](C(=O)N1CCN2CC[C@H]2C1)C1CC[NH2+]CC1 ZINC001161424147 815755863 /nfs/dbraw/zinc/75/58/63/815755863.db2.gz ZQXMKGRRDNCSEX-RYUDHWBXSA-N 2 1 252.362 -0.770 20 0 CBADMP C[NH+](C)CCN(C(=O)[C@@H]1COC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161443573 815756260 /nfs/dbraw/zinc/75/62/60/815756260.db2.gz YKRKRCZCGCLAKK-NEPJUHHUSA-N 3 1 270.377 -0.926 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC[C@@](C)(C[NH3+])C1 ZINC001161489354 815760462 /nfs/dbraw/zinc/76/04/62/815760462.db2.gz LRAGITCJKQOXCU-GWCFXTLKSA-N 2 1 271.361 -0.146 20 0 CBADMP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001161489491 815761808 /nfs/dbraw/zinc/76/18/08/815761808.db2.gz UAIWLLARHKGPCO-ZFWWWQNUSA-N 2 1 297.447 -0.676 20 0 CBADMP C[N@@H+](C1CN(C(=O)[C@H]2CC[NH2+]C[C@H]2F)C1)[C@H]1CCOC1 ZINC001161498614 815763190 /nfs/dbraw/zinc/76/31/90/815763190.db2.gz GMQSSKDQHSJJOM-WCFLWFBJSA-N 2 1 285.363 -0.135 20 0 CBADMP C[N@@H+](C1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1)[C@H]1CCOC1 ZINC001161500370 815763586 /nfs/dbraw/zinc/76/35/86/815763586.db2.gz WFIDJCUPZLRGSF-FTYKPCCVSA-N 2 1 265.357 -0.617 20 0 CBADMP C[C@H]([NH3+])c1ncc(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)s1 ZINC001161511104 815764937 /nfs/dbraw/zinc/76/49/37/815764937.db2.gz WORFSQIVAZAVNO-CBAPKCEASA-N 2 1 282.369 -0.038 20 0 CBADMP C[C@H]([NH3+])c1ncc(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)s1 ZINC001161511105 815765078 /nfs/dbraw/zinc/76/50/78/815765078.db2.gz WORFSQIVAZAVNO-IONNQARKSA-N 2 1 282.369 -0.038 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001161551981 815772059 /nfs/dbraw/zinc/77/20/59/815772059.db2.gz NPMPBLFNSFUSES-SECBINFHSA-N 2 1 297.359 -0.681 20 0 CBADMP COCCOC1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001161570169 815772281 /nfs/dbraw/zinc/77/22/81/815772281.db2.gz CTCOTEZQDLZEEJ-UHFFFAOYSA-N 2 1 271.361 -0.798 20 0 CBADMP CC(=O)NCCNc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001161652678 815776073 /nfs/dbraw/zinc/77/60/73/815776073.db2.gz FXNKUWGUBTWXDB-UHFFFAOYSA-N 2 1 264.333 -0.566 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001161649395 815776173 /nfs/dbraw/zinc/77/61/73/815776173.db2.gz GAHIDZCZTMHZTF-GFCCVEGCSA-N 2 1 284.404 -0.312 20 0 CBADMP [NH3+]C1CCN(CCNc2ncnc3c2C[NH2+]C3)CC1 ZINC001161867934 815790950 /nfs/dbraw/zinc/79/09/50/815790950.db2.gz XRGNYVFWMQRRTF-UHFFFAOYSA-N 2 1 262.361 -0.085 20 0 CBADMP NC(=O)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161879877 815792042 /nfs/dbraw/zinc/79/20/42/815792042.db2.gz XRIHZLIRAIKITG-UHFFFAOYSA-N 2 1 294.399 -0.294 20 0 CBADMP NC(=O)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161879877 815792045 /nfs/dbraw/zinc/79/20/45/815792045.db2.gz XRIHZLIRAIKITG-UHFFFAOYSA-N 2 1 294.399 -0.294 20 0 CBADMP [NH3+]C1CC[NH+](CCNc2cncc(-n3cncn3)n2)CC1 ZINC001161870909 815792957 /nfs/dbraw/zinc/79/29/57/815792957.db2.gz RGIDCFYOEFXEKM-UHFFFAOYSA-N 2 1 288.359 -0.108 20 0 CBADMP O=C(CNc1nc(N2CC[NH2+]CC2)cc[nH+]1)NC1CC1 ZINC001161890994 815793087 /nfs/dbraw/zinc/79/30/87/815793087.db2.gz OHDFACNHBXBZAW-UHFFFAOYSA-N 2 1 276.344 -0.423 20 0 CBADMP Cc1[nH+]ccn1-c1cncc(N(CC[NH3+])S(C)(=O)=O)n1 ZINC001162123886 815802189 /nfs/dbraw/zinc/80/21/89/815802189.db2.gz IEVZCLJLDIYGTN-UHFFFAOYSA-N 2 1 296.356 -0.305 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]CCCO ZINC001162611230 815836386 /nfs/dbraw/zinc/83/63/86/815836386.db2.gz GVKSRRTWRZHUEQ-UHFFFAOYSA-N 2 1 254.334 -0.330 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001162605814 815836997 /nfs/dbraw/zinc/83/69/97/815836997.db2.gz IGGCOPHXQHCHSN-UHFFFAOYSA-N 2 1 293.371 -0.434 20 0 CBADMP c1cc(N2CC[NH2+]CC2)nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]1 ZINC001163191983 815863678 /nfs/dbraw/zinc/86/36/78/815863678.db2.gz WZURHKGNPXERGR-BXUZGUMPSA-N 3 1 290.371 -0.571 20 0 CBADMP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NC[C@@H](O)CO ZINC001163348365 815880107 /nfs/dbraw/zinc/88/01/07/815880107.db2.gz XPQYKMQBPCSJLP-GFCCVEGCSA-N 2 1 295.387 -0.275 20 0 CBADMP C[NH2+]C1CN(c2ccnc(N3CC[NH+](C)CC3)n2)C1 ZINC001163705331 815896240 /nfs/dbraw/zinc/89/62/40/815896240.db2.gz LCOBOWJAXLYHEW-UHFFFAOYSA-N 2 1 262.361 -0.364 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001293334848 816516223 /nfs/dbraw/zinc/51/62/23/816516223.db2.gz ZMPHPCAYWMVTSD-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001293334848 816516226 /nfs/dbraw/zinc/51/62/26/816516226.db2.gz ZMPHPCAYWMVTSD-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001293334848 816516231 /nfs/dbraw/zinc/51/62/31/816516231.db2.gz ZMPHPCAYWMVTSD-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001293334550 816516628 /nfs/dbraw/zinc/51/66/28/816516628.db2.gz WGTDFBAFJWMEMY-BETUJISGSA-N 2 1 296.415 -0.488 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001293334550 816516630 /nfs/dbraw/zinc/51/66/30/816516630.db2.gz WGTDFBAFJWMEMY-BETUJISGSA-N 2 1 296.415 -0.488 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001293334550 816516634 /nfs/dbraw/zinc/51/66/34/816516634.db2.gz WGTDFBAFJWMEMY-BETUJISGSA-N 2 1 296.415 -0.488 20 0 CBADMP CC[C@@H](C(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001293333226 816516740 /nfs/dbraw/zinc/51/67/40/816516740.db2.gz KZAURRNKPLJCSU-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+]1CC[C@@H]1C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC001300046356 816736678 /nfs/dbraw/zinc/73/66/78/816736678.db2.gz NASYZFHAIUPAMV-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[N@H+]1CC[C@@H]1C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC001300046356 816736682 /nfs/dbraw/zinc/73/66/82/816736682.db2.gz NASYZFHAIUPAMV-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001300147661 816737520 /nfs/dbraw/zinc/73/75/20/816737520.db2.gz IFKVHIYMFLGLKY-QJPTWQEYSA-N 2 1 253.346 -0.642 20 0 CBADMP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001300147661 816737525 /nfs/dbraw/zinc/73/75/25/816737525.db2.gz IFKVHIYMFLGLKY-QJPTWQEYSA-N 2 1 253.346 -0.642 20 0 CBADMP CC[NH+]1CC[C@@H]1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001300147661 816737531 /nfs/dbraw/zinc/73/75/31/816737531.db2.gz IFKVHIYMFLGLKY-QJPTWQEYSA-N 2 1 253.346 -0.642 20 0 CBADMP CC[NH+]1CC[C@@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001300147661 816737538 /nfs/dbraw/zinc/73/75/38/816737538.db2.gz IFKVHIYMFLGLKY-QJPTWQEYSA-N 2 1 253.346 -0.642 20 0 CBADMP C[C@@H](Nc1nc(N)[nH+]c(N)n1)[C@H]1C[N@@H+](C)CCN1C ZINC001307214917 816799196 /nfs/dbraw/zinc/79/91/96/816799196.db2.gz YLMVGNGESLLVHX-HTQZYQBOSA-N 2 1 266.353 -0.918 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCOCCO)C1 ZINC001316939779 816904256 /nfs/dbraw/zinc/90/42/56/816904256.db2.gz ARXSKVTWVQCJMO-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCOCCO)C1 ZINC001316939779 816904259 /nfs/dbraw/zinc/90/42/59/816904259.db2.gz ARXSKVTWVQCJMO-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC001316939779 816904266 /nfs/dbraw/zinc/90/42/66/816904266.db2.gz ARXSKVTWVQCJMO-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001316992633 816917440 /nfs/dbraw/zinc/91/74/40/816917440.db2.gz GNXVSCZNPHWWSO-CYBMUJFWSA-N 2 1 285.388 -0.718 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001317058488 816925948 /nfs/dbraw/zinc/92/59/48/816925948.db2.gz DCMZOGHUHWXGFU-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CCOCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001317390975 816970052 /nfs/dbraw/zinc/97/00/52/816970052.db2.gz PLBCMWWHFFLDPU-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001317390975 816970057 /nfs/dbraw/zinc/97/00/57/816970057.db2.gz PLBCMWWHFFLDPU-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001317458386 816985914 /nfs/dbraw/zinc/98/59/14/816985914.db2.gz CCSDFIGXCXJSMM-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001317458386 816985918 /nfs/dbraw/zinc/98/59/18/816985918.db2.gz CCSDFIGXCXJSMM-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001317598935 817026075 /nfs/dbraw/zinc/02/60/75/817026075.db2.gz MQGHKQQMRRKTDN-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP CN(CC[NH2+]Cc1ncnn1C)C(=O)CC[NH+](C)C ZINC001317624010 817033191 /nfs/dbraw/zinc/03/31/91/817033191.db2.gz QMEOFNCKWILDKQ-UHFFFAOYSA-N 2 1 268.365 -0.685 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317662611 817042034 /nfs/dbraw/zinc/04/20/34/817042034.db2.gz ZGNCIJQWXBROTJ-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317660426 817042929 /nfs/dbraw/zinc/04/29/29/817042929.db2.gz CTIFVCPSRLLQPL-ZDUSSCGKSA-N 2 1 298.431 -0.242 20 0 CBADMP CN(CC[NH2+]CCn1cccn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317661077 817043180 /nfs/dbraw/zinc/04/31/80/817043180.db2.gz HRKGHMSQVKOHRO-CYBMUJFWSA-N 2 1 279.388 -0.117 20 0 CBADMP CCOCC[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001318161340 817082276 /nfs/dbraw/zinc/08/22/76/817082276.db2.gz HXNWLJUNEUSWCR-UHFFFAOYSA-N 2 1 299.415 -0.207 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCO)CC[N@H+]1C ZINC001319069578 817163562 /nfs/dbraw/zinc/16/35/62/817163562.db2.gz AMTSMHYQHUMOCD-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)C[C@H](C[NH2+]CCO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001319603103 817223971 /nfs/dbraw/zinc/22/39/71/817223971.db2.gz CISVBWBHXSXRCI-OLZOCXBDSA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)C[C@H](C[NH2+]CCO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001319603103 817223973 /nfs/dbraw/zinc/22/39/73/817223973.db2.gz CISVBWBHXSXRCI-OLZOCXBDSA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001320204575 817291812 /nfs/dbraw/zinc/29/18/12/817291812.db2.gz YRJXZUSJWOKARL-OLZOCXBDSA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001320204575 817291817 /nfs/dbraw/zinc/29/18/17/817291817.db2.gz YRJXZUSJWOKARL-OLZOCXBDSA-N 2 1 287.404 -0.570 20 0 CBADMP CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001320218731 817296411 /nfs/dbraw/zinc/29/64/11/817296411.db2.gz UKTGAGZDHHZJLA-VXGBXAGGSA-N 2 1 257.378 -0.054 20 0 CBADMP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001320550979 817353409 /nfs/dbraw/zinc/35/34/09/817353409.db2.gz YREVUFCEYBBIRA-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+]CC(=O)N(C)C)C1 ZINC001321251099 817468364 /nfs/dbraw/zinc/46/83/64/817468364.db2.gz QPNFNXRKWQTELG-MUBLQREKSA-N 2 1 296.415 -0.322 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001321248311 817468814 /nfs/dbraw/zinc/46/88/14/817468814.db2.gz AUVNNCMFEVTWFW-WWKJKZQJSA-N 2 1 296.415 -0.275 20 0 CBADMP COCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001321393693 817493826 /nfs/dbraw/zinc/49/38/26/817493826.db2.gz UJTJGDCEFMKREE-PCAWENJQSA-N 2 1 255.362 -0.154 20 0 CBADMP CC[C@@H]([NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001321401056 817495145 /nfs/dbraw/zinc/49/51/45/817495145.db2.gz FDJAHWRRADJDAV-QMAVJUDZSA-N 2 1 293.371 -0.283 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H](C)O)C1 ZINC001164538297 819922339 /nfs/dbraw/zinc/92/23/39/819922339.db2.gz CPCPQQGCMKGDHM-CHWSQXEVSA-N 2 1 287.404 -0.428 20 0 CBADMP [NH3+]C1CCN(c2cc[nH+]c(N3C[C@H](CO)[C@H](O)C3)n2)CC1 ZINC001164546073 819926579 /nfs/dbraw/zinc/92/65/79/819926579.db2.gz YBEIVDDVQNMHIM-ZYHUDNBSSA-N 2 1 293.371 -0.807 20 0 CBADMP C[N@H+](Cc1ccc(N2CC[NH2+][C@@H](C(N)=O)C2)nc1)C1CC1 ZINC001165071161 819935531 /nfs/dbraw/zinc/93/55/31/819935531.db2.gz DSZKDBOEMURWMS-CYBMUJFWSA-N 2 1 289.383 -0.061 20 0 CBADMP C[N@@H+](Cc1ccc(N2CC[NH2+][C@@H](C(N)=O)C2)nc1)C1CC1 ZINC001165071161 819935535 /nfs/dbraw/zinc/93/55/35/819935535.db2.gz DSZKDBOEMURWMS-CYBMUJFWSA-N 2 1 289.383 -0.061 20 0 CBADMP Cc1noc(C[NH2+]CCCNC(=O)CC[NH+](C)C)n1 ZINC001165793848 819983217 /nfs/dbraw/zinc/98/32/17/819983217.db2.gz CTOICOGSIGRMFR-UHFFFAOYSA-N 2 1 269.349 -0.074 20 0 CBADMP CC[C@H]([NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C)C(N)=O ZINC001166626639 820008829 /nfs/dbraw/zinc/00/88/29/820008829.db2.gz IIHLMDGGQTZEEQ-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP COC[C@H](O)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166627633 820009522 /nfs/dbraw/zinc/00/95/22/820009522.db2.gz XXQVGEVQOIZEBW-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@@H](O)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166626607 820010708 /nfs/dbraw/zinc/01/07/08/820010708.db2.gz HRTSWBGPILZDMA-NWDGAFQWSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@@H](O)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166626609 820010780 /nfs/dbraw/zinc/01/07/80/820010780.db2.gz HRTSWBGPILZDMA-VXGBXAGGSA-N 2 1 257.378 -0.053 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166667401 820013407 /nfs/dbraw/zinc/01/34/07/820013407.db2.gz AKLRTPIFDNPFML-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001166668154 820013548 /nfs/dbraw/zinc/01/35/48/820013548.db2.gz SSMMKBBHWYEOAS-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2nncn2C)C1 ZINC001166668245 820014382 /nfs/dbraw/zinc/01/43/82/820014382.db2.gz WQXIHNJEDJBMSM-LBPRGKRZSA-N 2 1 294.403 -0.247 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1cnon1 ZINC001166692885 820015956 /nfs/dbraw/zinc/01/59/56/820015956.db2.gz QXXHIEMIHYLVGO-ZYHUDNBSSA-N 2 1 281.360 -0.137 20 0 CBADMP CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166692821 820016221 /nfs/dbraw/zinc/01/62/21/820016221.db2.gz QEUHINLTEVVJSU-STQMWFEESA-N 2 1 298.431 -0.194 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166694031 820016542 /nfs/dbraw/zinc/01/65/42/820016542.db2.gz UUCZZXJBZVLHPS-QWRGUYRKSA-N 2 1 270.377 -0.974 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001166695110 820017067 /nfs/dbraw/zinc/01/70/67/820017067.db2.gz ZYOYZVAZUVXZLJ-OLZOCXBDSA-N 2 1 287.404 -0.711 20 0 CBADMP Cc1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)[nH]1 ZINC001166692445 820017092 /nfs/dbraw/zinc/01/70/92/820017092.db2.gz PTSNWFMIACDFCT-JQWIXIFHSA-N 2 1 294.403 -0.093 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001166707991 820020020 /nfs/dbraw/zinc/02/00/20/820020020.db2.gz LEOPFPLFISNYAR-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001166744293 820034347 /nfs/dbraw/zinc/03/43/47/820034347.db2.gz PAVDCXZNGHJVNQ-LLVKDONJSA-N 2 1 286.420 -0.066 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001166765295 820034490 /nfs/dbraw/zinc/03/44/90/820034490.db2.gz WPNGRAYZMLMJJR-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168023146 820138610 /nfs/dbraw/zinc/13/86/10/820138610.db2.gz UTAOOQKJXILBQD-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H]([NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001168139279 820145275 /nfs/dbraw/zinc/14/52/75/820145275.db2.gz ZLFJERQWSXLASQ-RYUDHWBXSA-N 2 1 296.415 -0.312 20 0 CBADMP [NH3+]Cc1ncn(-c2cncc(N3CCC([NH3+])CC3)n2)n1 ZINC001168749613 820172015 /nfs/dbraw/zinc/17/20/15/820172015.db2.gz CGYALTGEVNGFBX-UHFFFAOYSA-N 2 1 274.332 -0.557 20 0 CBADMP COc1c(C2C[NH2+]C2)ncnc1-n1cnc(C[NH3+])n1 ZINC001168754477 820174826 /nfs/dbraw/zinc/17/48/26/820174826.db2.gz SPGZKISRFXFMGR-UHFFFAOYSA-N 2 1 261.289 -0.789 20 0 CBADMP C[N@H+]1CCc2ncnc(-n3cncc3C[C@@H]([NH3+])CO)c2C1 ZINC001169071889 820204647 /nfs/dbraw/zinc/20/46/47/820204647.db2.gz HBVTZAAWWUNONK-SNVBAGLBSA-N 2 1 288.355 -0.488 20 0 CBADMP COC(=O)Cc1cc(-n2cncc2C[C@@H]([NH3+])CO)cc[nH+]1 ZINC001169075555 820206623 /nfs/dbraw/zinc/20/66/23/820206623.db2.gz SVLPHTVBYWFJOH-SNVBAGLBSA-N 2 1 290.323 -0.155 20 0 CBADMP O=C1CO[C@@H](CNc2[nH+]cccc2N2CC[NH2+]CC2)CN1 ZINC001169271541 820219499 /nfs/dbraw/zinc/21/94/99/820219499.db2.gz PSXNKKLYNQXFEM-LLVKDONJSA-N 2 1 291.355 -0.582 20 0 CBADMP CC(=O)N1CCC[C@@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)C1 ZINC001169580598 820258904 /nfs/dbraw/zinc/25/89/04/820258904.db2.gz SINMMMSSDVHIJO-VXGBXAGGSA-N 2 1 266.345 -0.071 20 0 CBADMP CS(=O)(=O)C1CCC([NH2+]C[C@@H](O)C[NH3+])CC1 ZINC001169852784 820265875 /nfs/dbraw/zinc/26/58/75/820265875.db2.gz CGZIKIALCKERIK-KYHHOPLUSA-N 2 1 250.364 -0.749 20 0 CBADMP CS(=O)(=O)C1CCC([NH2+]C[C@H](O)C[NH3+])CC1 ZINC001169852781 820266410 /nfs/dbraw/zinc/26/64/10/820266410.db2.gz CGZIKIALCKERIK-HWOCKDDLSA-N 2 1 250.364 -0.749 20 0 CBADMP CN(CC[NH3+])CCNc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001170498796 820296211 /nfs/dbraw/zinc/29/62/11/820296211.db2.gz MQLWCVBQFJGQLN-UHFFFAOYSA-N 3 1 293.419 -0.294 20 0 CBADMP [NH3+]CCOCCOCCNc1cc2c(c[nH+]1)CC(=O)N2 ZINC001170509114 820297784 /nfs/dbraw/zinc/29/77/84/820297784.db2.gz VRPFYFRAZWIKLW-UHFFFAOYSA-N 2 1 280.328 -0.020 20 0 CBADMP C[NH+]1CCN(c2cc(N[C@H]3C[NH2+]C[C@@H]3CO)ncn2)CC1 ZINC001170777463 820319007 /nfs/dbraw/zinc/31/90/07/820319007.db2.gz QKBKOKQTVJOYAQ-NEPJUHHUSA-N 2 1 292.387 -0.779 20 0 CBADMP C[NH+]1CCN(c2cc(N[C@H]3C[NH2+]C[C@H]3CO)ncn2)CC1 ZINC001170777466 820319096 /nfs/dbraw/zinc/31/90/96/820319096.db2.gz QKBKOKQTVJOYAQ-RYUDHWBXSA-N 2 1 292.387 -0.779 20 0 CBADMP Cc1cc(N[C@H]([NH3+])CCC[NH3+])nc(S(C)(=O)=O)n1 ZINC001170904283 820334352 /nfs/dbraw/zinc/33/43/52/820334352.db2.gz MXICZEASZMQWRS-QMMMGPOBSA-N 2 1 273.362 -0.376 20 0 CBADMP N[C@H](CCC[NH3+])Nc1cncc(N2CCC([NH3+])CC2)n1 ZINC001170899480 820334370 /nfs/dbraw/zinc/33/43/70/820334370.db2.gz ZEHORAMGJGBEIN-NSHDSACASA-N 2 1 279.392 -0.160 20 0 CBADMP CS(=O)(=O)c1cnc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001170899077 820334776 /nfs/dbraw/zinc/33/47/76/820334776.db2.gz WXAYFUXXFAOWLR-MRVPVSSYSA-N 2 1 259.335 -0.684 20 0 CBADMP N[C@@H](CCC[NH3+])Nc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001170899159 820336451 /nfs/dbraw/zinc/33/64/51/820336451.db2.gz IAGHUQUTCXMRPR-WDEREUQCSA-N 2 1 266.349 -0.347 20 0 CBADMP CCCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171216401 820350202 /nfs/dbraw/zinc/35/02/02/820350202.db2.gz IAHVYMQIFMAHAW-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP CN1CC[C@H]([NH2+]CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001171227056 820350954 /nfs/dbraw/zinc/35/09/54/820350954.db2.gz MERXTDKAHNRVCA-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171219498 820351656 /nfs/dbraw/zinc/35/16/56/820351656.db2.gz YACLNHPQDHHHEQ-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP Cn1cnnc1C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171219153 820352299 /nfs/dbraw/zinc/35/22/99/820352299.db2.gz UPTIBOAXAJMXIF-GFCCVEGCSA-N 2 1 294.403 -0.247 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ncnn1C ZINC001171756932 820369444 /nfs/dbraw/zinc/36/94/44/820369444.db2.gz BTAMWNJEHVBHKK-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001171725501 820369516 /nfs/dbraw/zinc/36/95/16/820369516.db2.gz NBYNUTZWJDTFNS-CYBMUJFWSA-N 2 1 289.420 -0.179 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](CC)C(N)=O ZINC001171763189 820370063 /nfs/dbraw/zinc/37/00/63/820370063.db2.gz UWCODDQAIUCNNE-NSHDSACASA-N 2 1 272.393 -0.312 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001171763330 820370365 /nfs/dbraw/zinc/37/03/65/820370365.db2.gz ZDRWSOCOLYPBNL-GFCCVEGCSA-N 2 1 275.393 -0.569 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001171725169 820371291 /nfs/dbraw/zinc/37/12/91/820371291.db2.gz GTAPJOZJWFPALO-UHFFFAOYSA-N 2 1 286.420 -0.098 20 0 CBADMP O=C1C[C@H]([NH2+]CCC[NH+](CCO)CCO)CCN1C1CC1 ZINC001171998450 820374690 /nfs/dbraw/zinc/37/46/90/820374690.db2.gz JDOYZMLFHKFUHB-CYBMUJFWSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)C2 ZINC001172108215 820381688 /nfs/dbraw/zinc/38/16/88/820381688.db2.gz SFKRMYNBECQYJA-PPHWHCQRSA-N 2 1 284.400 -0.306 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)C2 ZINC001172108215 820381694 /nfs/dbraw/zinc/38/16/94/820381694.db2.gz SFKRMYNBECQYJA-PPHWHCQRSA-N 2 1 284.400 -0.306 20 0 CBADMP COC(=O)[C@@H](CCC[NH3+])NC1C[C@@H]2COC[C@H](C1)[N@@H+]2C ZINC001172125357 820382262 /nfs/dbraw/zinc/38/22/62/820382262.db2.gz WPHHHGBULXJBKM-PSEXLTFBSA-N 2 1 285.388 -0.282 20 0 CBADMP COC(=O)[C@@H](CCC[NH3+])NC1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001172125357 820382272 /nfs/dbraw/zinc/38/22/72/820382272.db2.gz WPHHHGBULXJBKM-PSEXLTFBSA-N 2 1 285.388 -0.282 20 0 CBADMP O=C1CC[C@@H]2C[C@@H]([NH2+]CCC[NH+](CCO)CCO)CCN12 ZINC001172146480 820383890 /nfs/dbraw/zinc/38/38/90/820383890.db2.gz LVTHLZOKGPJHGK-UONOGXRCSA-N 2 1 299.415 -0.594 20 0 CBADMP COCCC[NH+]1CCC(n2nnc(C[NH3+])n2)CC1 ZINC001172244596 820393837 /nfs/dbraw/zinc/39/38/37/820393837.db2.gz FYYCWVLCEGZXDU-UHFFFAOYSA-N 2 1 254.338 -0.195 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C2CC([NH3+])C2)C[C@@H]1C(=O)OC ZINC001173581831 820407293 /nfs/dbraw/zinc/40/72/93/820407293.db2.gz JUKVIYDUNHCWRJ-HJTUJNLHSA-N 2 1 270.329 -0.194 20 0 CBADMP Cn1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001176072457 820437626 /nfs/dbraw/zinc/43/76/26/820437626.db2.gz UVTWBMMJBWUCLY-GFCCVEGCSA-N 2 1 279.388 -0.032 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001176071443 820438009 /nfs/dbraw/zinc/43/80/09/820438009.db2.gz DGLGVJDWACACPR-LLVKDONJSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001176058436 820438598 /nfs/dbraw/zinc/43/85/98/820438598.db2.gz XJWPWPMWRPGXSA-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001176072610 820438696 /nfs/dbraw/zinc/43/86/96/820438696.db2.gz ZZZDJWFFLXVKAF-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001176072487 820438839 /nfs/dbraw/zinc/43/88/39/820438839.db2.gz VYUCSVGCTRWFTI-GFCCVEGCSA-N 2 1 282.388 -0.734 20 0 CBADMP Cc1nnc(C[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001176072438 820438976 /nfs/dbraw/zinc/43/89/76/820438976.db2.gz UBLRSVREXAMRET-NSHDSACASA-N 2 1 281.360 -0.074 20 0 CBADMP Cc1nnc(C[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001176072438 820438977 /nfs/dbraw/zinc/43/89/77/820438977.db2.gz UBLRSVREXAMRET-NSHDSACASA-N 2 1 281.360 -0.074 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H](C)COC)C1 ZINC001176636428 820455274 /nfs/dbraw/zinc/45/52/74/820455274.db2.gz OOCWLXGUAIKVNP-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H](C)COC)C1 ZINC001176636428 820455277 /nfs/dbraw/zinc/45/52/77/820455277.db2.gz OOCWLXGUAIKVNP-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001176635656 820455307 /nfs/dbraw/zinc/45/53/07/820455307.db2.gz DPBUFVDDZFEYAF-UONOGXRCSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001176635656 820455310 /nfs/dbraw/zinc/45/53/10/820455310.db2.gz DPBUFVDDZFEYAF-UONOGXRCSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H](C)OC)C1 ZINC001176644189 820455533 /nfs/dbraw/zinc/45/55/33/820455533.db2.gz NFSCALJCSGUXHW-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H](C)OC)C1 ZINC001176644189 820455537 /nfs/dbraw/zinc/45/55/37/820455537.db2.gz NFSCALJCSGUXHW-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP C[N@@H+](C1CN(C(=O)Cc2cnc[nH]2)C1)[C@H]1CCOC1 ZINC001176832714 820459722 /nfs/dbraw/zinc/45/97/22/820459722.db2.gz ZXRAOVAJMATLHL-NSHDSACASA-N 2 1 264.329 -0.116 20 0 CBADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1nn[nH]n1 ZINC001176840653 820465235 /nfs/dbraw/zinc/46/52/35/820465235.db2.gz LYJURROISFWEKP-UHFFFAOYSA-N 2 1 297.407 -0.526 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001176845399 820469614 /nfs/dbraw/zinc/46/96/14/820469614.db2.gz RWYIBEBQZKRUJN-TXEJJXNPSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001176986674 820486436 /nfs/dbraw/zinc/48/64/36/820486436.db2.gz SDFKYPGMRSFRSW-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001176986454 820486801 /nfs/dbraw/zinc/48/68/01/820486801.db2.gz OTWZNONLQJDHDP-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178982845 820612324 /nfs/dbraw/zinc/61/23/24/820612324.db2.gz SBHXVYISFXZGAA-ZOBORPQBSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178982845 820612327 /nfs/dbraw/zinc/61/23/27/820612327.db2.gz SBHXVYISFXZGAA-ZOBORPQBSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001179587128 820634609 /nfs/dbraw/zinc/63/46/09/820634609.db2.gz WIFGLAAZBOBEEB-QWHCGFSZSA-N 2 1 298.431 -0.064 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001179982968 820646766 /nfs/dbraw/zinc/64/67/66/820646766.db2.gz JGGQTCUPHRLBTF-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CC(N)=O)C1 ZINC001180260099 820663781 /nfs/dbraw/zinc/66/37/81/820663781.db2.gz TVGOXKNYBGGBLG-LBPRGKRZSA-N 2 1 284.404 -0.310 20 0 CBADMP CNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180260114 820664233 /nfs/dbraw/zinc/66/42/33/820664233.db2.gz UAVQOJFSZAPPIH-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CC(N)=O)C1 ZINC001180260097 820664318 /nfs/dbraw/zinc/66/43/18/820664318.db2.gz TVGOXKNYBGGBLG-GFCCVEGCSA-N 2 1 284.404 -0.310 20 0 CBADMP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001180757916 820714926 /nfs/dbraw/zinc/71/49/26/820714926.db2.gz CFDYTEYYEWXTDX-MBNYWOFBSA-N 2 1 267.373 -0.273 20 0 CBADMP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001180757916 820714931 /nfs/dbraw/zinc/71/49/31/820714931.db2.gz CFDYTEYYEWXTDX-MBNYWOFBSA-N 2 1 267.373 -0.273 20 0 CBADMP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001180764461 820724647 /nfs/dbraw/zinc/72/46/47/820724647.db2.gz YEGFUZBBQWRXOK-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001180764461 820724653 /nfs/dbraw/zinc/72/46/53/820724653.db2.gz YEGFUZBBQWRXOK-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCC[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180764461 820724661 /nfs/dbraw/zinc/72/46/61/820724661.db2.gz YEGFUZBBQWRXOK-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCC[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180764461 820724665 /nfs/dbraw/zinc/72/46/65/820724665.db2.gz YEGFUZBBQWRXOK-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC23CC[NH+](CC2)CC3)C1 ZINC001180763072 820725237 /nfs/dbraw/zinc/72/52/37/820725237.db2.gz HINKCYXMOLKADN-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC23CC[NH+](CC2)CC3)C1 ZINC001180763072 820725244 /nfs/dbraw/zinc/72/52/44/820725244.db2.gz HINKCYXMOLKADN-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181653340 820806209 /nfs/dbraw/zinc/80/62/09/820806209.db2.gz YGUFRMFLEUBYDW-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181651688 820807835 /nfs/dbraw/zinc/80/78/35/820807835.db2.gz FDFHMFRANAYWIZ-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001181672799 820809062 /nfs/dbraw/zinc/80/90/62/820809062.db2.gz CKVONDQZHNYHPD-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001181993751 820845631 /nfs/dbraw/zinc/84/56/31/820845631.db2.gz JSKPKKFQENUPAQ-SNVBAGLBSA-N 2 1 277.390 -0.392 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001181993751 820845642 /nfs/dbraw/zinc/84/56/42/820845642.db2.gz JSKPKKFQENUPAQ-SNVBAGLBSA-N 2 1 277.390 -0.392 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676187 820935926 /nfs/dbraw/zinc/93/59/26/820935926.db2.gz DOFFDFCADHOQOI-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[N@@H+]1CC[C@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001182830235 820948847 /nfs/dbraw/zinc/94/88/47/820948847.db2.gz OVOMSTOKKXRIDI-VIFPVBQESA-N 2 1 263.363 -0.784 20 0 CBADMP CC(C)[N@H+]1CC[C@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001182830235 820948853 /nfs/dbraw/zinc/94/88/53/820948853.db2.gz OVOMSTOKKXRIDI-VIFPVBQESA-N 2 1 263.363 -0.784 20 0 CBADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182870335 820951119 /nfs/dbraw/zinc/95/11/19/820951119.db2.gz YQQJDHBDPUEDNY-NSHDSACASA-N 2 1 271.361 -0.181 20 0 CBADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182870335 820951126 /nfs/dbraw/zinc/95/11/26/820951126.db2.gz YQQJDHBDPUEDNY-NSHDSACASA-N 2 1 271.361 -0.181 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001183392481 820992410 /nfs/dbraw/zinc/99/24/10/820992410.db2.gz WWGUQLRRFULWFO-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001183647708 821012932 /nfs/dbraw/zinc/01/29/32/821012932.db2.gz IQDLCURUSQISKD-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001183647434 821013198 /nfs/dbraw/zinc/01/31/98/821013198.db2.gz HRMLDZSJYQDNSX-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001184301821 821066750 /nfs/dbraw/zinc/06/67/50/821066750.db2.gz PVPYGUSKGBBIMY-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001185249020 821108578 /nfs/dbraw/zinc/10/85/78/821108578.db2.gz LNNROTXYRSTCBL-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC(C)([NH+](C)C)C1 ZINC001185257856 821113844 /nfs/dbraw/zinc/11/38/44/821113844.db2.gz NBXSNPWUSLFOLU-LLVKDONJSA-N 2 1 254.378 -0.605 20 0 CBADMP COCCC1([NH3+])CCN(C(=O)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001185267558 821120686 /nfs/dbraw/zinc/12/06/86/821120686.db2.gz UUCWQQKLKLGJRF-ZDUSSCGKSA-N 2 1 298.431 -0.411 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001185270279 821121822 /nfs/dbraw/zinc/12/18/22/821121822.db2.gz XVVOHXWPUYMLCK-LBPRGKRZSA-N 3 1 298.435 -0.704 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001185270279 821121828 /nfs/dbraw/zinc/12/18/28/821121828.db2.gz XVVOHXWPUYMLCK-LBPRGKRZSA-N 3 1 298.435 -0.704 20 0 CBADMP CCn1cc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001185416134 821128866 /nfs/dbraw/zinc/12/88/66/821128866.db2.gz OMFIJJXIYDRAPI-GFCCVEGCSA-N 2 1 294.403 -0.060 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)C)C1 ZINC001186099000 821170519 /nfs/dbraw/zinc/17/05/19/821170519.db2.gz KUIRYTZHIAEWMM-JTQLQIEISA-N 2 1 257.334 -0.841 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)C)C1 ZINC001186099000 821170527 /nfs/dbraw/zinc/17/05/27/821170527.db2.gz KUIRYTZHIAEWMM-JTQLQIEISA-N 2 1 257.334 -0.841 20 0 CBADMP CCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC001186043910 821154139 /nfs/dbraw/zinc/15/41/39/821154139.db2.gz AZGAOBNONPFFAY-MGPQQGTHSA-N 2 1 281.400 -0.147 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](O)C2)C1 ZINC001186044395 821155639 /nfs/dbraw/zinc/15/56/39/821155639.db2.gz GOWADYKMKKTBEW-QWHCGFSZSA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)C1 ZINC001186044395 821155643 /nfs/dbraw/zinc/15/56/43/821155643.db2.gz GOWADYKMKKTBEW-QWHCGFSZSA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)C1 ZINC001186044395 821155648 /nfs/dbraw/zinc/15/56/48/821155648.db2.gz GOWADYKMKKTBEW-QWHCGFSZSA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](O)C2)C1 ZINC001186044389 821156588 /nfs/dbraw/zinc/15/65/88/821156588.db2.gz GOWADYKMKKTBEW-CHWSQXEVSA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)C1 ZINC001186044389 821156592 /nfs/dbraw/zinc/15/65/92/821156592.db2.gz GOWADYKMKKTBEW-CHWSQXEVSA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)C1 ZINC001186044389 821156593 /nfs/dbraw/zinc/15/65/93/821156593.db2.gz GOWADYKMKKTBEW-CHWSQXEVSA-N 2 1 269.389 -0.006 20 0 CBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](O)C3)C[C@@H]21 ZINC001186044240 821156641 /nfs/dbraw/zinc/15/66/41/821156641.db2.gz DUDSLJNNMXDXEJ-AGIUHOORSA-N 2 1 267.373 -0.394 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](O)C3)C[C@@H]21 ZINC001186044240 821156646 /nfs/dbraw/zinc/15/66/46/821156646.db2.gz DUDSLJNNMXDXEJ-AGIUHOORSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C[C@@H]21 ZINC001186044240 821156648 /nfs/dbraw/zinc/15/66/48/821156648.db2.gz DUDSLJNNMXDXEJ-AGIUHOORSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](O)C3)C[C@@H]21 ZINC001186044240 821156652 /nfs/dbraw/zinc/15/66/52/821156652.db2.gz DUDSLJNNMXDXEJ-AGIUHOORSA-N 2 1 267.373 -0.394 20 0 CBADMP C[N@@H+]1CCC[C@H](CCNC(=O)C[NH+]2CC[C@H](O)C2)C1 ZINC001186048587 821158814 /nfs/dbraw/zinc/15/88/14/821158814.db2.gz HEPNHVVSLCCZIO-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)C[NH+]2CC[C@H](O)C2)C1 ZINC001186048587 821158822 /nfs/dbraw/zinc/15/88/22/821158822.db2.gz HEPNHVVSLCCZIO-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@H](CCNC(=O)C[N@@H+]2CC[C@H](O)C2)C1 ZINC001186048587 821158832 /nfs/dbraw/zinc/15/88/32/821158832.db2.gz HEPNHVVSLCCZIO-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@H](CCNC(=O)C[N@H+]2CC[C@H](O)C2)C1 ZINC001186048587 821158837 /nfs/dbraw/zinc/15/88/37/821158837.db2.gz HEPNHVVSLCCZIO-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CCNC(=O)C[NH+]1CC[C@H](O)C1 ZINC001186055896 821164792 /nfs/dbraw/zinc/16/47/92/821164792.db2.gz VVHWGMVTUOAXKE-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)C[NH+]1CC[C@H](O)C1 ZINC001186055896 821164801 /nfs/dbraw/zinc/16/48/01/821164801.db2.gz VVHWGMVTUOAXKE-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1CCNC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186055896 821164808 /nfs/dbraw/zinc/16/48/08/821164808.db2.gz VVHWGMVTUOAXKE-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1CCNC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186055896 821164815 /nfs/dbraw/zinc/16/48/15/821164815.db2.gz VVHWGMVTUOAXKE-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP CCOCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186367411 821180048 /nfs/dbraw/zinc/18/00/48/821180048.db2.gz YWZNNXLWRAAEDM-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001186824929 821198469 /nfs/dbraw/zinc/19/84/69/821198469.db2.gz RBKBODHWWSATFX-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001186824868 821198675 /nfs/dbraw/zinc/19/86/75/821198675.db2.gz PALVTUNOKCDLRO-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001186824868 821198683 /nfs/dbraw/zinc/19/86/83/821198683.db2.gz PALVTUNOKCDLRO-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001186816542 821198705 /nfs/dbraw/zinc/19/87/05/821198705.db2.gz AEBWJDDEJQNQLX-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187106572 821211861 /nfs/dbraw/zinc/21/18/61/821211861.db2.gz KBAPQUQVEHKIGT-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187106570 821212602 /nfs/dbraw/zinc/21/26/02/821212602.db2.gz KBAPQUQVEHKIGT-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187106097 821213249 /nfs/dbraw/zinc/21/32/49/821213249.db2.gz BFIHCTXDWLXBGL-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNCc1cnon1 ZINC001279672532 828334332 /nfs/dbraw/zinc/33/43/32/828334332.db2.gz KIMZCONJRPERQN-GFCCVEGCSA-N 2 1 297.359 -0.926 20 0 CBADMP CN1CCC[C@@H]1C(=O)N(CCO)CCNCc1cnon1 ZINC001279672532 828334339 /nfs/dbraw/zinc/33/43/39/828334339.db2.gz KIMZCONJRPERQN-GFCCVEGCSA-N 2 1 297.359 -0.926 20 0 CBADMP CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001280294885 828347803 /nfs/dbraw/zinc/34/78/03/828347803.db2.gz GLUWFOLZERDXHO-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001280151168 828345152 /nfs/dbraw/zinc/34/51/52/828345152.db2.gz GBOITVNLUIAELQ-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP COCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001280658562 828370323 /nfs/dbraw/zinc/37/03/23/828370323.db2.gz DTEKJVSAAQLDPM-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](NCc2cnn(C)n2)C1 ZINC001187291394 822262680 /nfs/dbraw/zinc/26/26/80/822262680.db2.gz QIQKASPARLKIGR-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001187291394 822262688 /nfs/dbraw/zinc/26/26/88/822262688.db2.gz QIQKASPARLKIGR-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001187323027 822266972 /nfs/dbraw/zinc/26/69/72/822266972.db2.gz UXYATIZWMOEDPY-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001187322137 822267015 /nfs/dbraw/zinc/26/70/15/822267015.db2.gz LAKUWLWGJVRPPJ-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001187322663 822267700 /nfs/dbraw/zinc/26/77/00/822267700.db2.gz QYNCYJPBOIXKRO-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187826075 822299241 /nfs/dbraw/zinc/29/92/41/822299241.db2.gz USHNAVUFIZQTKX-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CC(C[NH2+]CCCO)C2)C1 ZINC001281990189 828430188 /nfs/dbraw/zinc/43/01/88/828430188.db2.gz DYFZAEHVLQANES-WXRRBKDZSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC2CC(C[NH2+]CCCO)C2)C1 ZINC001281990189 828430191 /nfs/dbraw/zinc/43/01/91/828430191.db2.gz DYFZAEHVLQANES-WXRRBKDZSA-N 2 1 285.388 -0.816 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001282448426 828447244 /nfs/dbraw/zinc/44/72/44/828447244.db2.gz BCPCNTBELONGFZ-SNVBAGLBSA-N 2 1 258.366 -0.879 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001282448426 828447248 /nfs/dbraw/zinc/44/72/48/828447248.db2.gz BCPCNTBELONGFZ-SNVBAGLBSA-N 2 1 258.366 -0.879 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001282450636 828447459 /nfs/dbraw/zinc/44/74/59/828447459.db2.gz VTEKXZZQNMEZQP-GHMZBOCLSA-N 2 1 298.387 -0.820 20 0 CBADMP CC[C@@H](C(=O)NCCNC(=O)Cn1cc[nH+]c1C)[NH+](C)C ZINC001283027144 828490852 /nfs/dbraw/zinc/49/08/52/828490852.db2.gz LJYLJIJXJVGOJT-LBPRGKRZSA-N 2 1 295.387 -0.236 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001283065923 828493852 /nfs/dbraw/zinc/49/38/52/828493852.db2.gz HYSAFKYUHLTKRK-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001283065923 828493858 /nfs/dbraw/zinc/49/38/58/828493858.db2.gz HYSAFKYUHLTKRK-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001283065923 828493862 /nfs/dbraw/zinc/49/38/62/828493862.db2.gz HYSAFKYUHLTKRK-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H](C[NH2+]CCCO)C1 ZINC001283092918 828495580 /nfs/dbraw/zinc/49/55/80/828495580.db2.gz ZVCPTCQAPFZZKN-HDJSIYSDSA-N 2 1 299.415 -0.425 20 0 CBADMP C[C@H](CCC[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283279707 828512023 /nfs/dbraw/zinc/51/20/23/828512023.db2.gz YPIQBCUBAOKXCT-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001283797377 828548870 /nfs/dbraw/zinc/54/88/70/828548870.db2.gz MYMJQUSCCSLFSP-SRVKXCTJSA-N 2 1 257.378 -0.197 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189040918 823731620 /nfs/dbraw/zinc/73/16/20/823731620.db2.gz JQRXAVACAJCXRL-YNEHKIRRSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001189820109 823776062 /nfs/dbraw/zinc/77/60/62/823776062.db2.gz PTHGFEFBJUCHLP-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675565 823836651 /nfs/dbraw/zinc/83/66/51/823836651.db2.gz QTQTYCIFZBHQEM-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675565 823836659 /nfs/dbraw/zinc/83/66/59/823836659.db2.gz QTQTYCIFZBHQEM-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001190675565 823836667 /nfs/dbraw/zinc/83/66/67/823836667.db2.gz QTQTYCIFZBHQEM-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675565 823836677 /nfs/dbraw/zinc/83/66/77/823836677.db2.gz QTQTYCIFZBHQEM-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001192037107 823940950 /nfs/dbraw/zinc/94/09/50/823940950.db2.gz DUHYAXYGHIACSV-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001192037107 823940960 /nfs/dbraw/zinc/94/09/60/823940960.db2.gz DUHYAXYGHIACSV-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192029248 823941468 /nfs/dbraw/zinc/94/14/68/823941468.db2.gz IZVVEBFMLUOFFH-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192029249 823941811 /nfs/dbraw/zinc/94/18/11/823941811.db2.gz IZVVEBFMLUOFFH-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192143832 823952231 /nfs/dbraw/zinc/95/22/31/823952231.db2.gz QBENBMSZWHZEBR-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192143832 823952233 /nfs/dbraw/zinc/95/22/33/823952233.db2.gz QBENBMSZWHZEBR-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001192169884 823952778 /nfs/dbraw/zinc/95/27/78/823952778.db2.gz FDZLKOIMUYMHTB-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170353 823954835 /nfs/dbraw/zinc/95/48/35/823954835.db2.gz JLSUILWDJZVUPD-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP COCC[N@@H+](C)[C@@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001192868536 823987490 /nfs/dbraw/zinc/98/74/90/823987490.db2.gz YXWMHMWPICATCI-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP COCC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192868536 823987498 /nfs/dbraw/zinc/98/74/98/823987498.db2.gz YXWMHMWPICATCI-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP COCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192868536 823987504 /nfs/dbraw/zinc/98/75/04/823987504.db2.gz YXWMHMWPICATCI-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001192970195 823994843 /nfs/dbraw/zinc/99/48/43/823994843.db2.gz QRKIIKWCGPKNIM-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001192970193 823995045 /nfs/dbraw/zinc/99/50/45/823995045.db2.gz QRKIIKWCGPKNIM-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP COCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001284470466 828599361 /nfs/dbraw/zinc/59/93/61/828599361.db2.gz VGQZPGOZQARLDG-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001284470485 828599813 /nfs/dbraw/zinc/59/98/13/828599813.db2.gz VLZOAGZTWIWFHH-RYUDHWBXSA-N 2 1 257.378 -0.245 20 0 CBADMP CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193289830 824017689 /nfs/dbraw/zinc/01/76/89/824017689.db2.gz ADMFFKPCBMCXPB-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193289830 824017694 /nfs/dbraw/zinc/01/76/94/824017694.db2.gz ADMFFKPCBMCXPB-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193289830 824017700 /nfs/dbraw/zinc/01/77/00/824017700.db2.gz ADMFFKPCBMCXPB-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193289830 824017705 /nfs/dbraw/zinc/01/77/05/824017705.db2.gz ADMFFKPCBMCXPB-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193289830 824017710 /nfs/dbraw/zinc/01/77/10/824017710.db2.gz ADMFFKPCBMCXPB-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)C(N)=O)C1 ZINC001193278128 824018763 /nfs/dbraw/zinc/01/87/63/824018763.db2.gz FAOYQVWFWVTTOS-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001193278128 824018769 /nfs/dbraw/zinc/01/87/69/824018769.db2.gz FAOYQVWFWVTTOS-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001193278128 824018778 /nfs/dbraw/zinc/01/87/78/824018778.db2.gz FAOYQVWFWVTTOS-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC)C[C@H]1O ZINC001193455980 824028334 /nfs/dbraw/zinc/02/83/34/824028334.db2.gz JPKAQWXXYAMAFE-IJLUTSLNSA-N 2 1 275.368 -0.153 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001193640854 824041934 /nfs/dbraw/zinc/04/19/34/824041934.db2.gz FSLKDOIYXUNQKW-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)CCC1 ZINC001193774584 824045173 /nfs/dbraw/zinc/04/51/73/824045173.db2.gz POOXQKUQKNHOHY-VXGBXAGGSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CCC1 ZINC001193774584 824045178 /nfs/dbraw/zinc/04/51/78/824045178.db2.gz POOXQKUQKNHOHY-VXGBXAGGSA-N 2 1 285.388 -0.986 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194036726 824056419 /nfs/dbraw/zinc/05/64/19/824056419.db2.gz CQGVGFCPFAUBPL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194286268 824067924 /nfs/dbraw/zinc/06/79/24/824067924.db2.gz XZFAIOKFJXAFNT-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194286268 824067927 /nfs/dbraw/zinc/06/79/27/824067927.db2.gz XZFAIOKFJXAFNT-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194286268 824067928 /nfs/dbraw/zinc/06/79/28/824067928.db2.gz XZFAIOKFJXAFNT-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194286268 824067932 /nfs/dbraw/zinc/06/79/32/824067932.db2.gz XZFAIOKFJXAFNT-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001195284145 824109491 /nfs/dbraw/zinc/10/94/91/824109491.db2.gz PUPHKVYNARJUMQ-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP COC[C@H](O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001195284145 824109493 /nfs/dbraw/zinc/10/94/93/824109493.db2.gz PUPHKVYNARJUMQ-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP COC[C@H](O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001195284145 824109494 /nfs/dbraw/zinc/10/94/94/824109494.db2.gz PUPHKVYNARJUMQ-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CNC(=O)[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC001195307548 824110582 /nfs/dbraw/zinc/11/05/82/824110582.db2.gz SEPKILABHXDXHY-CMPLNLGQSA-N 2 1 255.362 -0.491 20 0 CBADMP CNC(=O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC001195307548 824110585 /nfs/dbraw/zinc/11/05/85/824110585.db2.gz SEPKILABHXDXHY-CMPLNLGQSA-N 2 1 255.362 -0.491 20 0 CBADMP CNC(=O)[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC001195307548 824110588 /nfs/dbraw/zinc/11/05/88/824110588.db2.gz SEPKILABHXDXHY-CMPLNLGQSA-N 2 1 255.362 -0.491 20 0 CBADMP CNC(=O)[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC001195307548 824110589 /nfs/dbraw/zinc/11/05/89/824110589.db2.gz SEPKILABHXDXHY-CMPLNLGQSA-N 2 1 255.362 -0.491 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195676622 824128441 /nfs/dbraw/zinc/12/84/41/824128441.db2.gz GPINUXPNSQYCMZ-JHJVBQTASA-N 2 1 299.415 -0.476 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001196177058 824150830 /nfs/dbraw/zinc/15/08/30/824150830.db2.gz RNXCBJFYTDJNRS-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001196177058 824150832 /nfs/dbraw/zinc/15/08/32/824150832.db2.gz RNXCBJFYTDJNRS-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001196177058 824150835 /nfs/dbraw/zinc/15/08/35/824150835.db2.gz RNXCBJFYTDJNRS-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001196177058 824150837 /nfs/dbraw/zinc/15/08/37/824150837.db2.gz RNXCBJFYTDJNRS-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048636 824177320 /nfs/dbraw/zinc/17/73/20/824177320.db2.gz GIQZUZQJLIXIJJ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048636 824177326 /nfs/dbraw/zinc/17/73/26/824177326.db2.gz GIQZUZQJLIXIJJ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP COC[C@H](O)C[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044366 824177563 /nfs/dbraw/zinc/17/75/63/824177563.db2.gz RVLKOILFFHHJSZ-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)OC)C[C@H]1O ZINC001197536096 824194841 /nfs/dbraw/zinc/19/48/41/824194841.db2.gz JEOXTYNIYARLNF-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)OC)C[C@H]1O ZINC001197536096 824194844 /nfs/dbraw/zinc/19/48/44/824194844.db2.gz JEOXTYNIYARLNF-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@H]1O ZINC001197536096 824194846 /nfs/dbraw/zinc/19/48/46/824194846.db2.gz JEOXTYNIYARLNF-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197792166 824202410 /nfs/dbraw/zinc/20/24/10/824202410.db2.gz LDYFGXVTQDVRDC-CHWSQXEVSA-N 2 1 287.404 -0.618 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCCN([C@H]2CCNC2=O)CC1 ZINC001197914516 824208468 /nfs/dbraw/zinc/20/84/68/824208468.db2.gz UASCTLASADJUED-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198699949 824234716 /nfs/dbraw/zinc/23/47/16/824234716.db2.gz ZKYZCJJPKFLPML-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198662519 824236383 /nfs/dbraw/zinc/23/63/83/824236383.db2.gz RBROUQHGPQMJHL-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198662519 824236391 /nfs/dbraw/zinc/23/63/91/824236391.db2.gz RBROUQHGPQMJHL-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198662519 824236400 /nfs/dbraw/zinc/23/64/00/824236400.db2.gz RBROUQHGPQMJHL-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198661170 824236638 /nfs/dbraw/zinc/23/66/38/824236638.db2.gz DDDOZZMDRJSGKB-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198661170 824236645 /nfs/dbraw/zinc/23/66/45/824236645.db2.gz DDDOZZMDRJSGKB-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198661170 824236653 /nfs/dbraw/zinc/23/66/53/824236653.db2.gz DDDOZZMDRJSGKB-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001200122436 824307574 /nfs/dbraw/zinc/30/75/74/824307574.db2.gz DLOZBCLZHNHSGP-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001201402089 824332022 /nfs/dbraw/zinc/33/20/22/824332022.db2.gz ANIXLXYIRZGBBM-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001284976676 828637447 /nfs/dbraw/zinc/63/74/47/828637447.db2.gz MJGGKBYDTZJBBD-UHFFFAOYSA-N 2 1 282.388 -0.438 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001284976676 828637450 /nfs/dbraw/zinc/63/74/50/828637450.db2.gz MJGGKBYDTZJBBD-UHFFFAOYSA-N 2 1 282.388 -0.438 20 0 CBADMP CCC[NH+](C)CC(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001284976676 828637452 /nfs/dbraw/zinc/63/74/52/828637452.db2.gz MJGGKBYDTZJBBD-UHFFFAOYSA-N 2 1 282.388 -0.438 20 0 CBADMP CCC[NH+](C)CC(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001284976676 828637455 /nfs/dbraw/zinc/63/74/55/828637455.db2.gz MJGGKBYDTZJBBD-UHFFFAOYSA-N 2 1 282.388 -0.438 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201811582 824336670 /nfs/dbraw/zinc/33/66/70/824336670.db2.gz YHMWLKALJFHDTP-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201811583 824336682 /nfs/dbraw/zinc/33/66/82/824336682.db2.gz YHMWLKALJFHDTP-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001201862908 824337875 /nfs/dbraw/zinc/33/78/75/824337875.db2.gz ICJOHSKZKMYREQ-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001202947218 824355971 /nfs/dbraw/zinc/35/59/71/824355971.db2.gz KQDCQAFVGCVYGH-UHFFFAOYSA-N 2 1 299.415 -0.064 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC(=O)NC)CC1 ZINC001203437879 824362222 /nfs/dbraw/zinc/36/22/22/824362222.db2.gz VUDIFZJDYWMELP-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]CCO)CC1 ZINC001203932521 824363524 /nfs/dbraw/zinc/36/35/24/824363524.db2.gz ISUBWUPBIXMZKG-UHFFFAOYSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001203925899 824363690 /nfs/dbraw/zinc/36/36/90/824363690.db2.gz YKRIRQHPMGVJHH-CYBMUJFWSA-N 2 1 296.415 -0.204 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cnc3n2CC[NH2+]CC3)CC1 ZINC001205220545 824376215 /nfs/dbraw/zinc/37/62/15/824376215.db2.gz LNKWBIRQEHQCDO-HNNXBMFYSA-N 3 1 293.415 -0.296 20 0 CBADMP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2N2CC[NH2+]CC2)C[C@H]1O ZINC001205958950 824391135 /nfs/dbraw/zinc/39/11/35/824391135.db2.gz HUCLZKYAXYASNZ-GDBMZVCRSA-N 3 1 290.411 -0.010 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2N2CC[NH2+]CC2)C[C@H]1O ZINC001205958950 824391140 /nfs/dbraw/zinc/39/11/40/824391140.db2.gz HUCLZKYAXYASNZ-GDBMZVCRSA-N 3 1 290.411 -0.010 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(=O)n(C)c1=O ZINC001206184116 824394919 /nfs/dbraw/zinc/39/49/19/824394919.db2.gz HPRSFUPEACKBAL-WDEREUQCSA-N 2 1 284.335 -0.655 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)nc2)C[C@H]1O ZINC001206468413 824400911 /nfs/dbraw/zinc/40/09/11/824400911.db2.gz HRBHJBXYVJSISH-UONOGXRCSA-N 2 1 292.383 -0.330 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)nc2)C[C@H]1O ZINC001206468413 824400915 /nfs/dbraw/zinc/40/09/15/824400915.db2.gz HRBHJBXYVJSISH-UONOGXRCSA-N 2 1 292.383 -0.330 20 0 CBADMP CN(C)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206519098 824401717 /nfs/dbraw/zinc/40/17/17/824401717.db2.gz ILZWMVYEDHOOMY-RYUDHWBXSA-N 2 1 250.346 -0.101 20 0 CBADMP CN(C)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206519098 824401720 /nfs/dbraw/zinc/40/17/20/824401720.db2.gz ILZWMVYEDHOOMY-RYUDHWBXSA-N 2 1 250.346 -0.101 20 0 CBADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001206929215 824413162 /nfs/dbraw/zinc/41/31/62/824413162.db2.gz ZOHFIRSQJIVRAT-WCQYABFASA-N 2 1 296.415 -0.360 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CCO)CC2)C1 ZINC001206943454 824414835 /nfs/dbraw/zinc/41/48/35/824414835.db2.gz RQVPLGGSYKPLMR-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CCO)CC2)C1 ZINC001206943454 824414837 /nfs/dbraw/zinc/41/48/37/824414837.db2.gz RQVPLGGSYKPLMR-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP O=C1COC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN12 ZINC001207439647 824427683 /nfs/dbraw/zinc/42/76/83/824427683.db2.gz XAUOPOIJAZWWFJ-GFCCVEGCSA-N 2 1 253.346 -0.471 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207547362 824430884 /nfs/dbraw/zinc/43/08/84/824430884.db2.gz UEZRWKPPSROOOV-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207702997 824435407 /nfs/dbraw/zinc/43/54/07/824435407.db2.gz GEACGGCFQSVUPV-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207702997 824435409 /nfs/dbraw/zinc/43/54/09/824435409.db2.gz GEACGGCFQSVUPV-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP COCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207734070 824436335 /nfs/dbraw/zinc/43/63/35/824436335.db2.gz CHQNNUAATIQTFI-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207734070 824436338 /nfs/dbraw/zinc/43/63/38/824436338.db2.gz CHQNNUAATIQTFI-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001210528730 824479909 /nfs/dbraw/zinc/47/99/09/824479909.db2.gz DSVWXCFOZBMPLL-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001208454081 824452820 /nfs/dbraw/zinc/45/28/20/824452820.db2.gz SIHPUZSBBCVFIL-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492243 824454387 /nfs/dbraw/zinc/45/43/87/824454387.db2.gz IHDCMMMTOUUHNG-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492243 824454390 /nfs/dbraw/zinc/45/43/90/824454390.db2.gz IHDCMMMTOUUHNG-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001209642690 824473644 /nfs/dbraw/zinc/47/36/44/824473644.db2.gz NAYZRLQUANOTNU-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209829639 824476533 /nfs/dbraw/zinc/47/65/33/824476533.db2.gz JBEULNVOJURGRH-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427024 824479531 /nfs/dbraw/zinc/47/95/31/824479531.db2.gz MRAZCDMEMBMYPS-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427024 824479534 /nfs/dbraw/zinc/47/95/34/824479534.db2.gz MRAZCDMEMBMYPS-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1C ZINC001210528730 824479904 /nfs/dbraw/zinc/47/99/04/824479904.db2.gz DSVWXCFOZBMPLL-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001210528730 824479906 /nfs/dbraw/zinc/47/99/06/824479906.db2.gz DSVWXCFOZBMPLL-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1C ZINC001210521486 824480087 /nfs/dbraw/zinc/48/00/87/824480087.db2.gz FOEPYPNNWCOVGS-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1C ZINC001210521486 824480090 /nfs/dbraw/zinc/48/00/90/824480090.db2.gz FOEPYPNNWCOVGS-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001210521486 824480092 /nfs/dbraw/zinc/48/00/92/824480092.db2.gz FOEPYPNNWCOVGS-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001210521486 824480096 /nfs/dbraw/zinc/48/00/96/824480096.db2.gz FOEPYPNNWCOVGS-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCOC)C2)C1 ZINC001211176649 824483532 /nfs/dbraw/zinc/48/35/32/824483532.db2.gz MPUNZTLNEPQVJP-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCOC)C2)C1 ZINC001211176649 824483537 /nfs/dbraw/zinc/48/35/37/824483537.db2.gz MPUNZTLNEPQVJP-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342159 824510872 /nfs/dbraw/zinc/51/08/72/824510872.db2.gz JIHZIUAAZLSANH-CHWSQXEVSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1OC ZINC001213596956 824512992 /nfs/dbraw/zinc/51/29/92/824512992.db2.gz RQMSIBFYLNEEHG-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1OC ZINC001213767270 824516686 /nfs/dbraw/zinc/51/66/86/824516686.db2.gz KYNVMUOUKNUANH-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1OC ZINC001213767270 824516690 /nfs/dbraw/zinc/51/66/90/824516690.db2.gz KYNVMUOUKNUANH-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1OC ZINC001213767270 824516695 /nfs/dbraw/zinc/51/66/95/824516695.db2.gz KYNVMUOUKNUANH-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214335896 824528384 /nfs/dbraw/zinc/52/83/84/824528384.db2.gz METJZZCZOOZJNB-IJLUTSLNSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCCO ZINC001214389141 824530413 /nfs/dbraw/zinc/53/04/13/824530413.db2.gz QJDAJZOEJVDVRA-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCCO ZINC001214389141 824530414 /nfs/dbraw/zinc/53/04/14/824530414.db2.gz QJDAJZOEJVDVRA-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214389268 824531048 /nfs/dbraw/zinc/53/10/48/824531048.db2.gz UTUVQMBCCHFJDZ-MCIONIFRSA-N 2 1 299.415 -0.210 20 0 CBADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214389268 824531050 /nfs/dbraw/zinc/53/10/50/824531050.db2.gz UTUVQMBCCHFJDZ-MCIONIFRSA-N 2 1 299.415 -0.210 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216756089 824548850 /nfs/dbraw/zinc/54/88/50/824548850.db2.gz RIHCKMZBDRDZKM-ZYHUDNBSSA-N 2 1 293.371 -0.626 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216852268 824551174 /nfs/dbraw/zinc/55/11/74/824551174.db2.gz TVKSAUXACMRDLJ-FRRDWIJNSA-N 2 1 298.431 -0.102 20 0 CBADMP C[C@@H]1C[NH+](CCc2nnc([C@@H]3C[NH2+]CCN3)o2)C[C@@H](C)O1 ZINC001217701530 824559702 /nfs/dbraw/zinc/55/97/02/824559702.db2.gz SEBIURIWXPAPMU-UTUOFQBUSA-N 2 1 295.387 -0.045 20 0 CBADMP C[C@@H]1C[N@@H+](CCc2nnc(CNCC[NH3+])o2)C[C@H](C)O1 ZINC001217729299 824560204 /nfs/dbraw/zinc/56/02/04/824560204.db2.gz HTHCOFLSIHWTTO-PHIMTYICSA-N 2 1 283.376 -0.230 20 0 CBADMP C[C@@H]1C[N@H+](CCc2nnc(CNCC[NH3+])o2)C[C@H](C)O1 ZINC001217729299 824560213 /nfs/dbraw/zinc/56/02/13/824560213.db2.gz HTHCOFLSIHWTTO-PHIMTYICSA-N 2 1 283.376 -0.230 20 0 CBADMP C[C@@H]1C[N@@H+](CCc2nnc([C@]3(N)CC[NH2+]C3)o2)C[C@H](C)O1 ZINC001217735619 824560993 /nfs/dbraw/zinc/56/09/93/824560993.db2.gz AMOGZENAPNAMLP-WDMOLILDSA-N 2 1 295.387 -0.131 20 0 CBADMP C[C@@H]1C[N@H+](CCc2nnc([C@]3(N)CC[NH2+]C3)o2)C[C@H](C)O1 ZINC001217735619 824560997 /nfs/dbraw/zinc/56/09/97/824560997.db2.gz AMOGZENAPNAMLP-WDMOLILDSA-N 2 1 295.387 -0.131 20 0 CBADMP C[C@@H]1C[NH+](CCc2nnc([C@@]3(N)CC[NH2+]C3)o2)C[C@@H](C)O1 ZINC001217735616 824561336 /nfs/dbraw/zinc/56/13/36/824561336.db2.gz AMOGZENAPNAMLP-JTNHKYCSSA-N 2 1 295.387 -0.131 20 0 CBADMP C(O[C@@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217802533 824562311 /nfs/dbraw/zinc/56/23/11/824562311.db2.gz AGDMENBZIJFBER-SEBNEYGDSA-N 2 1 281.400 -0.184 20 0 CBADMP C(O[C@@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217802533 824562315 /nfs/dbraw/zinc/56/23/15/824562315.db2.gz AGDMENBZIJFBER-SEBNEYGDSA-N 2 1 281.400 -0.184 20 0 CBADMP CCOC(=O)c1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n[nH]1 ZINC001218510726 824577904 /nfs/dbraw/zinc/57/79/04/824577904.db2.gz NGMKRYHOXPOAKJ-MRVPVSSYSA-N 2 1 293.327 -0.666 20 0 CBADMP C[NH+]1CCN(c2ncccc2NC(=O)[C@@H](N)CC[NH3+])CC1 ZINC001218556516 824590350 /nfs/dbraw/zinc/59/03/50/824590350.db2.gz SROVKESMTCNGQV-NSHDSACASA-N 2 1 292.387 -0.552 20 0 CBADMP CCOC(=O)c1nc[nH]c1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218559774 824592441 /nfs/dbraw/zinc/59/24/41/824592441.db2.gz PWXMFXCDFXCOLV-SSDOTTSWSA-N 2 1 269.305 -0.409 20 0 CBADMP CCOC(=O)c1nc[nH]c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218560236 824592455 /nfs/dbraw/zinc/59/24/55/824592455.db2.gz VVDVNTSFZNJCNB-QMMMGPOBSA-N 2 1 293.327 -0.666 20 0 CBADMP [NH3+][C@@H](C(=O)Nc1n[nH]c2nccnc12)C1CC[NH2+]CC1 ZINC001218568647 824595223 /nfs/dbraw/zinc/59/52/23/824595223.db2.gz RAQSTMVBRDSYEQ-MRVPVSSYSA-N 2 1 275.316 -0.430 20 0 CBADMP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582588 824598407 /nfs/dbraw/zinc/59/84/07/824598407.db2.gz RCAMFIFIWQQZRP-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP Nc1cn(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)nc1N ZINC001218628066 824609226 /nfs/dbraw/zinc/60/92/26/824609226.db2.gz YGFKXMBJQNISHA-VIFPVBQESA-N 2 1 264.333 -0.438 20 0 CBADMP CSc1n[nH]c(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1C(N)=O ZINC001218639214 824611767 /nfs/dbraw/zinc/61/17/67/824611767.db2.gz ZPHYVXXOEDVJDO-YFKPBYRVSA-N 2 1 286.361 -0.765 20 0 CBADMP Cc1nc2nc[nH]c2c(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001218699511 824623711 /nfs/dbraw/zinc/62/37/11/824623711.db2.gz KMPJCIVEYODISL-SECBINFHSA-N 2 1 289.343 -0.073 20 0 CBADMP CCN=c1ncc(N)cn1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218740045 824630591 /nfs/dbraw/zinc/63/05/91/824630591.db2.gz OJDVOFBCZWJGJN-VIFPVBQESA-N 2 1 284.389 -0.955 20 0 CBADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001218742227 824631943 /nfs/dbraw/zinc/63/19/43/824631943.db2.gz BESSTLAJTHZNSX-MNOVXSKESA-N 2 1 273.296 -0.214 20 0 CBADMP [NH3+]C[C@@H](O)CC(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001218741689 824632257 /nfs/dbraw/zinc/63/22/57/824632257.db2.gz PSPVOXDVKWIQTK-JTQLQIEISA-N 2 1 261.285 -0.085 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2CN(C[C@@H](C)O)C[C@@H]21 ZINC001219055058 824654550 /nfs/dbraw/zinc/65/45/50/824654550.db2.gz ULNKOGPEWXSTKR-HZSPNIEDSA-N 2 1 299.415 -0.381 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]21 ZINC001219055058 824654560 /nfs/dbraw/zinc/65/45/60/824654560.db2.gz ULNKOGPEWXSTKR-HZSPNIEDSA-N 2 1 299.415 -0.381 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](C)O)C[C@@H]21 ZINC001219055058 824654566 /nfs/dbraw/zinc/65/45/66/824654566.db2.gz ULNKOGPEWXSTKR-HZSPNIEDSA-N 2 1 299.415 -0.381 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](C)O)C[C@@H]21 ZINC001219055058 824654572 /nfs/dbraw/zinc/65/45/72/824654572.db2.gz ULNKOGPEWXSTKR-HZSPNIEDSA-N 2 1 299.415 -0.381 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001219119471 824664507 /nfs/dbraw/zinc/66/45/07/824664507.db2.gz ZIJYXAXXXRUYFM-RISCZKNCSA-N 2 1 289.383 -0.276 20 0 CBADMP C[NH+](C)CCNC(=O)c1ccc([C@@H]([NH3+])CN)cc1 ZINC001219553776 824726724 /nfs/dbraw/zinc/72/67/24/824726724.db2.gz LKAHQSWUXVWKKL-LBPRGKRZSA-N 2 1 250.346 -0.064 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)c2nnn3c2C[NH2+]CC3)C[NH2+]1 ZINC001219592027 824737274 /nfs/dbraw/zinc/73/72/74/824737274.db2.gz GHGBNEVNZRVAHO-IUCAKERBSA-N 2 1 264.333 -0.748 20 0 CBADMP O=C(NCc1cnc[nH]1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219606829 824852701 /nfs/dbraw/zinc/85/27/01/824852701.db2.gz UKYNDISUAAXNSD-NSHDSACASA-N 2 1 263.345 -0.100 20 0 CBADMP [NH3+][C@@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1cccnc1 ZINC001219616388 824857620 /nfs/dbraw/zinc/85/76/20/824857620.db2.gz ZQRQIWIDAGBHOT-DMDPSCGWSA-N 2 1 282.319 -0.740 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)CCN2CC[NH+](C)CC2)C1 ZINC001219641596 824870380 /nfs/dbraw/zinc/87/03/80/824870380.db2.gz JIIRFYUZFORWTB-KBPBESRZSA-N 2 1 282.432 -0.014 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001219649183 824873310 /nfs/dbraw/zinc/87/33/10/824873310.db2.gz GGNLELFUGVKCMI-YNEHKIRRSA-N 2 1 268.405 -0.406 20 0 CBADMP C[C@H]1C[NH2+]C[C@@H](CNC(=O)c2nnn3c2C[NH2+]CC3)C1 ZINC001219663841 824874156 /nfs/dbraw/zinc/87/41/56/824874156.db2.gz RLJVIXRCOKGAOJ-ZJUUUORDSA-N 2 1 278.360 -0.643 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2nnn3c2C[NH2+]CC3)C1 ZINC001219663839 824874758 /nfs/dbraw/zinc/87/47/58/824874758.db2.gz RLJVIXRCOKGAOJ-UWVGGRQHSA-N 2 1 278.360 -0.643 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2[nH]nc3c2C[NH2+]C3)C1 ZINC001219661280 824874767 /nfs/dbraw/zinc/87/47/67/824874767.db2.gz AXKNWVCTZTZJCL-DTWKUNHWSA-N 2 1 263.345 -0.012 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219705683 824883312 /nfs/dbraw/zinc/88/33/12/824883312.db2.gz NRRCFGDVKHAXBC-ZDUSSCGKSA-N 3 1 262.357 -0.375 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)NCc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001219705885 824883494 /nfs/dbraw/zinc/88/34/94/824883494.db2.gz SBJTZBJMARONSA-KGLIPLIRSA-N 2 1 274.368 -0.362 20 0 CBADMP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@@H]1COC[NH2+]1 ZINC001219703634 824883914 /nfs/dbraw/zinc/88/39/14/824883914.db2.gz NJRSSGWEQQFWGV-ZDUSSCGKSA-N 2 1 261.325 -0.106 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219767718 824892229 /nfs/dbraw/zinc/89/22/29/824892229.db2.gz CRNLDFCRTKPFNG-PWSUYJOCSA-N 2 1 269.324 -0.513 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O)C1CC1 ZINC001219803904 824896173 /nfs/dbraw/zinc/89/61/73/824896173.db2.gz HNPMIRLTHZHCRI-HZSPNIEDSA-N 2 1 281.400 -0.102 20 0 CBADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O)C1CC1 ZINC001219803905 824896357 /nfs/dbraw/zinc/89/63/57/824896357.db2.gz HNPMIRLTHZHCRI-RDBSUJKOSA-N 2 1 281.400 -0.102 20 0 CBADMP [NH3+]Cc1ncc(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)s1 ZINC001219856261 824902491 /nfs/dbraw/zinc/90/24/91/824902491.db2.gz FHCTVYJVZVNZEJ-GJMOJQLCSA-N 2 1 268.342 -0.682 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219869625 824906230 /nfs/dbraw/zinc/90/62/30/824906230.db2.gz OSVSQQPIBOIPLW-UTUOFQBUSA-N 2 1 257.378 -0.102 20 0 CBADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219879406 824907813 /nfs/dbraw/zinc/90/78/13/824907813.db2.gz JVLCCICXMJJHRT-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219879406 824907815 /nfs/dbraw/zinc/90/78/15/824907815.db2.gz JVLCCICXMJJHRT-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001219879406 824907816 /nfs/dbraw/zinc/90/78/16/824907816.db2.gz JVLCCICXMJJHRT-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001219879406 824907817 /nfs/dbraw/zinc/90/78/17/824907817.db2.gz JVLCCICXMJJHRT-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])c1ccc(O)cc1 ZINC001219885223 824909574 /nfs/dbraw/zinc/90/95/74/824909574.db2.gz LCYONWRVCUAYJM-WDEREUQCSA-N 2 1 281.312 -0.601 20 0 CBADMP COc1ccc(CCNC(=O)[C@@H]([NH3+])CC[NH3+])cc1O ZINC001219909823 824914225 /nfs/dbraw/zinc/91/42/25/824914225.db2.gz AZOCNVCOOUTONO-JTQLQIEISA-N 2 1 267.329 -0.264 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@H](CC(C)C)NC(=O)C[NH3+] ZINC001219934862 824917241 /nfs/dbraw/zinc/91/72/41/824917241.db2.gz QJLZAABSVSSAFE-LBPRGKRZSA-N 2 1 295.387 -0.203 20 0 CBADMP C[C@@H]([NH3+])c1ncc(C(=O)n2cnc(C[NH3+])cc2=N)s1 ZINC001220020382 824936538 /nfs/dbraw/zinc/93/65/38/824936538.db2.gz GSHFTTFYMWPKNW-ZCFIWIBFSA-N 2 1 278.341 -0.014 20 0 CBADMP C[C@H]([NH3+])c1ncc(C(=O)n2cnc(C[NH3+])cc2=N)s1 ZINC001220020381 824936808 /nfs/dbraw/zinc/93/68/08/824936808.db2.gz GSHFTTFYMWPKNW-LURJTMIESA-N 2 1 278.341 -0.014 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CNCC[NH3+] ZINC001220061654 824947284 /nfs/dbraw/zinc/94/72/84/824947284.db2.gz BIOOFEAUXSUDDN-GFCCVEGCSA-N 2 1 256.394 -0.085 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220062226 824947424 /nfs/dbraw/zinc/94/74/24/824947424.db2.gz QUNQKTRADRBZBK-AGIUHOORSA-N 2 1 269.389 -0.053 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220071546 824949937 /nfs/dbraw/zinc/94/99/37/824949937.db2.gz IJLWNKHPBYKRHF-ZDUSSCGKSA-N 2 1 263.345 -0.331 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)CNC1CC[NH2+]CC1 ZINC001220071540 824951002 /nfs/dbraw/zinc/95/10/02/824951002.db2.gz ICWPNSOOGICTRE-UHFFFAOYSA-N 2 1 277.372 -0.070 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220071825 824951479 /nfs/dbraw/zinc/95/14/79/824951479.db2.gz TVZRWYJMMKZCIQ-FZMZJTMJSA-N 2 1 275.356 -0.460 20 0 CBADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001220103583 824954850 /nfs/dbraw/zinc/95/48/50/824954850.db2.gz XSMJXYIIHYFNDA-JTQLQIEISA-N 3 1 255.366 -0.035 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@H](O)c1ccc(O)cc1 ZINC001220113522 824958846 /nfs/dbraw/zinc/95/88/46/824958846.db2.gz WGTCBQKNCRHEOC-QWRGUYRKSA-N 2 1 253.302 -0.782 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCCCCCCN1C(=O)C=CC1=O ZINC001220127265 824961603 /nfs/dbraw/zinc/96/16/03/824961603.db2.gz OCFQMZTXSBNGOK-NSHDSACASA-N 2 1 296.371 -0.736 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCC1(F)CCOCC1 ZINC001220136780 824963815 /nfs/dbraw/zinc/96/38/15/824963815.db2.gz HDWVFDTWRMZHIJ-UHFFFAOYSA-N 2 1 273.352 -0.037 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCc1cc[nH]c(=O)c1 ZINC001220148310 824968881 /nfs/dbraw/zinc/96/88/81/824968881.db2.gz VTQYKHCJVZTNPP-UHFFFAOYSA-N 2 1 264.329 -0.255 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001220157066 824973424 /nfs/dbraw/zinc/97/34/24/824973424.db2.gz WDBYCDDSQLRLDB-MDZLAQPJSA-N 2 1 252.362 -0.852 20 0 CBADMP Cn1ccc(CNC(=O)C[NH2+]C2CC[NH2+]CC2)cc1=O ZINC001220179666 824979907 /nfs/dbraw/zinc/97/99/07/824979907.db2.gz PVZFUNKYWHGIBW-UHFFFAOYSA-N 2 1 278.356 -0.657 20 0 CBADMP C[C@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)c1cncnc1 ZINC001220183165 824981332 /nfs/dbraw/zinc/98/13/32/824981332.db2.gz GRVZKGNIVWAASP-JTQLQIEISA-N 2 1 263.345 -0.005 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234009 824990810 /nfs/dbraw/zinc/99/08/10/824990810.db2.gz PTGRRAKHQHYOLJ-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230490 824991181 /nfs/dbraw/zinc/99/11/81/824991181.db2.gz HMLCEBUWGMWWGW-XQQFMLRXSA-N 2 1 299.415 -0.476 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001220232243 824991237 /nfs/dbraw/zinc/99/12/37/824991237.db2.gz LFCPWKILBZURJO-NEPJUHHUSA-N 2 1 275.368 -0.151 20 0 CBADMP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237366 824991732 /nfs/dbraw/zinc/99/17/32/824991732.db2.gz UTTTZWRGNLCLJX-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220251747 824994450 /nfs/dbraw/zinc/99/44/50/824994450.db2.gz DFHDSGULTSHGOS-WDEREUQCSA-N 2 1 285.392 -0.637 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220252265 824996729 /nfs/dbraw/zinc/99/67/29/824996729.db2.gz UDIBIIWVQKRIQO-VNHYZAJKSA-N 3 1 280.416 -0.214 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC001220270786 825000814 /nfs/dbraw/zinc/00/08/14/825000814.db2.gz GEAQZYKOQKPUSX-JTQLQIEISA-N 2 1 275.316 -0.841 20 0 CBADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273991 825001280 /nfs/dbraw/zinc/00/12/80/825001280.db2.gz ZLKJSJVAMSJJKX-NEPJUHHUSA-N 2 1 257.378 -0.245 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001220275072 825003006 /nfs/dbraw/zinc/00/30/06/825003006.db2.gz OAMRAVORMHWTLI-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001220276499 825004052 /nfs/dbraw/zinc/00/40/52/825004052.db2.gz CRJZWEHRGOIQAW-OLZOCXBDSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001220306810 825010250 /nfs/dbraw/zinc/01/02/50/825010250.db2.gz OXWHHHNOERDTFC-OLZOCXBDSA-N 2 1 286.395 -0.312 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC001220303810 825010272 /nfs/dbraw/zinc/01/02/72/825010272.db2.gz DWHMSGTYJGAKJB-ZDUSSCGKSA-N 2 1 294.403 -0.967 20 0 CBADMP C[N@@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC001220303810 825010283 /nfs/dbraw/zinc/01/02/83/825010283.db2.gz DWHMSGTYJGAKJB-ZDUSSCGKSA-N 2 1 294.403 -0.967 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC001220303810 825010292 /nfs/dbraw/zinc/01/02/92/825010292.db2.gz DWHMSGTYJGAKJB-ZDUSSCGKSA-N 2 1 294.403 -0.967 20 0 CBADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001220333309 825017132 /nfs/dbraw/zinc/01/71/32/825017132.db2.gz TUNSOKLAWKEBHR-UPJWGTAASA-N 2 1 268.405 -0.088 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O)[NH+](C)C ZINC001220377951 825025165 /nfs/dbraw/zinc/02/51/65/825025165.db2.gz UZTQWZIBURHFBF-WOPDTQHZSA-N 2 1 273.377 -0.866 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1O)[NH+](C)C ZINC001220377564 825025716 /nfs/dbraw/zinc/02/57/16/825025716.db2.gz DBNIPPJWEVFVDA-AGIUHOORSA-N 2 1 287.404 -0.476 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394261 825028368 /nfs/dbraw/zinc/02/83/68/825028368.db2.gz BMRDTLVNCSKHCM-LBPRGKRZSA-N 2 1 277.372 -0.118 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H](NC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001220406492 825033033 /nfs/dbraw/zinc/03/30/33/825033033.db2.gz RJEVUUMNGHDVQL-ZYHUDNBSSA-N 2 1 283.372 -0.214 20 0 CBADMP N[C@@]1(C(=O)NC2CC[NH+](CCF)CC2)CCC[NH2+]C1 ZINC001220436101 825039709 /nfs/dbraw/zinc/03/97/09/825039709.db2.gz QVPKMUSYMCXGRG-ZDUSSCGKSA-N 2 1 272.368 -0.383 20 0 CBADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCC1([NH3+])CCCC1 ZINC001220497067 825050589 /nfs/dbraw/zinc/05/05/89/825050589.db2.gz JGXXTQFZWGNFHO-LBPRGKRZSA-N 2 1 283.420 -0.876 20 0 CBADMP [NH3+]CCOCCOCCNC(=O)c1cnc(C[NH3+])s1 ZINC001220519144 825054315 /nfs/dbraw/zinc/05/43/15/825054315.db2.gz CTYRTWQBTODENC-UHFFFAOYSA-N 2 1 288.373 -0.677 20 0 CBADMP C[C@@H]1COCC[C@H]1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220566021 825063489 /nfs/dbraw/zinc/06/34/89/825063489.db2.gz XLFXCKCFZSQQJE-ZYHUDNBSSA-N 2 1 255.362 -0.131 20 0 CBADMP O=C(NCC[NH+]1CC2(COC2)C1)C1CC2(C[NH2+]C2)C1 ZINC001220571018 825066144 /nfs/dbraw/zinc/06/61/44/825066144.db2.gz GRATZHFIKGRPBY-UHFFFAOYSA-N 2 1 265.357 -0.566 20 0 CBADMP CCOC(=O)CN(CC[NH3+])C(=O)c1cnc(C[NH3+])s1 ZINC001220585593 825071455 /nfs/dbraw/zinc/07/14/55/825071455.db2.gz QHWWXKLRXODTTL-UHFFFAOYSA-N 2 1 286.357 -0.434 20 0 CBADMP NCc1ncccc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220714569 825091374 /nfs/dbraw/zinc/09/13/74/825091374.db2.gz QEOYTOHOYHGTDW-QMMMGPOBSA-N 2 1 269.374 -0.502 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@H]1CN(c2ccccc2)CCO1 ZINC001220736125 825095914 /nfs/dbraw/zinc/09/59/14/825095914.db2.gz BGCMHTUUIKLISX-KBPBESRZSA-N 2 1 292.383 -0.316 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755469 825096108 /nfs/dbraw/zinc/09/61/08/825096108.db2.gz PLLRWOZFMDGIRP-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755469 825096115 /nfs/dbraw/zinc/09/61/15/825096115.db2.gz PLLRWOZFMDGIRP-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755469 825096123 /nfs/dbraw/zinc/09/61/23/825096123.db2.gz PLLRWOZFMDGIRP-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764472 825099357 /nfs/dbraw/zinc/09/93/57/825099357.db2.gz MEDIFWKQYCBFDC-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220770954 825099483 /nfs/dbraw/zinc/09/94/83/825099483.db2.gz BPWAEGVDUCIQTG-OLZOCXBDSA-N 2 1 297.399 -0.720 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001220764768 825100247 /nfs/dbraw/zinc/10/02/47/825100247.db2.gz VZPMWXCYHPLYIF-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCCN1CCC(F)(F)C1 ZINC001220808830 825105848 /nfs/dbraw/zinc/10/58/48/825105848.db2.gz XMWGQZNFWXKHQT-QMMMGPOBSA-N 2 1 250.293 -0.880 20 0 CBADMP CCOC(=O)C1=C(NC(=O)[C@H]2CCC[N@@H+](C)C2)C[NH2+]C1 ZINC001220829939 825108491 /nfs/dbraw/zinc/10/84/91/825108491.db2.gz GUAWWHZIJLLEOL-JTQLQIEISA-N 2 1 281.356 -0.135 20 0 CBADMP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001220857793 825113939 /nfs/dbraw/zinc/11/39/39/825113939.db2.gz RYMYIXJRRSNEHN-UWVGGRQHSA-N 2 1 253.350 -0.231 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCO[C@H]1CCCCO1 ZINC001220861961 825113995 /nfs/dbraw/zinc/11/39/95/825113995.db2.gz KLEAGRSEPGFIHP-AWEZNQCLSA-N 2 1 285.388 -0.013 20 0 CBADMP CC(C)[C@@]1(C(=O)NCCN2CC[NH2+]CC2=O)CCC[NH2+]C1 ZINC001220874423 825118889 /nfs/dbraw/zinc/11/88/89/825118889.db2.gz JAGFDEVVNZKBFQ-OAHLLOKOSA-N 2 1 296.415 -0.440 20 0 CBADMP C[C@H]([NH3+])c1ncc(C(=O)n2cc(C[NH3+])cnc2=N)s1 ZINC001220951220 825128461 /nfs/dbraw/zinc/12/84/61/825128461.db2.gz UGGFXFTXNOSWDY-LURJTMIESA-N 2 1 278.341 -0.014 20 0 CBADMP N=c1ncc(C[NH3+])cn1C(=O)c1cnc(C[NH3+])s1 ZINC001220950756 825129286 /nfs/dbraw/zinc/12/92/86/825129286.db2.gz FOTPRWHPWFYAQO-UHFFFAOYSA-N 2 1 264.314 -0.575 20 0 CBADMP COCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978183 825131325 /nfs/dbraw/zinc/13/13/25/825131325.db2.gz QJEFARRXBBHWQT-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978183 825131329 /nfs/dbraw/zinc/13/13/29/825131329.db2.gz QJEFARRXBBHWQT-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976412 825132139 /nfs/dbraw/zinc/13/21/39/825132139.db2.gz YKMQYQIVTPOCQV-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976412 825132144 /nfs/dbraw/zinc/13/21/44/825132144.db2.gz YKMQYQIVTPOCQV-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976412 825132150 /nfs/dbraw/zinc/13/21/50/825132150.db2.gz YKMQYQIVTPOCQV-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220980918 825132481 /nfs/dbraw/zinc/13/24/81/825132481.db2.gz BPYKMTKMPTWJPK-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP O=C(NCc1[nH+]cn2ccccc12)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001221008454 825135814 /nfs/dbraw/zinc/13/58/14/825135814.db2.gz TVSNZVQZIZPZJL-SDDRHHMPSA-N 2 1 285.351 -0.100 20 0 CBADMP Cc1nnc(CNC(=O)C[NH2+]C2CC[NH2+]CC2)o1 ZINC001221010233 825135938 /nfs/dbraw/zinc/13/59/38/825135938.db2.gz CJEIWRBWEIGWSB-UHFFFAOYSA-N 2 1 253.306 -0.664 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001221091673 825142762 /nfs/dbraw/zinc/14/27/62/825142762.db2.gz SWVLOJCQQKUVQQ-MJBXVCDLSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001221091673 825142764 /nfs/dbraw/zinc/14/27/64/825142764.db2.gz SWVLOJCQQKUVQQ-MJBXVCDLSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001221091673 825142767 /nfs/dbraw/zinc/14/27/67/825142767.db2.gz SWVLOJCQQKUVQQ-MJBXVCDLSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1O ZINC001221091672 825144070 /nfs/dbraw/zinc/14/40/70/825144070.db2.gz SWVLOJCQQKUVQQ-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001221091672 825144071 /nfs/dbraw/zinc/14/40/71/825144071.db2.gz SWVLOJCQQKUVQQ-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001221091672 825144072 /nfs/dbraw/zinc/14/40/72/825144072.db2.gz SWVLOJCQQKUVQQ-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1COC[NH2+]1 ZINC001221121928 825145576 /nfs/dbraw/zinc/14/55/76/825145576.db2.gz YFJUTOXYLLRMIY-LBPRGKRZSA-N 2 1 276.340 -0.278 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCc1nc2cc[nH]cc-2n1 ZINC001221194347 825152696 /nfs/dbraw/zinc/15/26/96/825152696.db2.gz PZLXFKKQCSBAAW-UHFFFAOYSA-N 2 1 288.355 -0.084 20 0 CBADMP CC(C)(C)[NH+]1CC(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001221193867 825153233 /nfs/dbraw/zinc/15/32/33/825153233.db2.gz GZEBISODJREJNE-LLVKDONJSA-N 3 1 266.389 -0.606 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001221241083 825157737 /nfs/dbraw/zinc/15/77/37/825157737.db2.gz NIOATFLQSLAXKD-KWCYVHTRSA-N 2 1 266.389 -0.462 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221244016 825160108 /nfs/dbraw/zinc/16/01/08/825160108.db2.gz OTYICEIHWCEICA-JSGCOSHPSA-N 3 1 268.405 -0.086 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC001221243527 825160356 /nfs/dbraw/zinc/16/03/56/825160356.db2.gz KAGADXUKTAGTPE-WCQYABFASA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001221243512 825160577 /nfs/dbraw/zinc/16/05/77/825160577.db2.gz JUHSPHRUMHNWGI-STQMWFEESA-N 2 1 254.378 -0.332 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001221243744 825160796 /nfs/dbraw/zinc/16/07/96/825160796.db2.gz MGLGPWIEKITUKQ-DZGCQCFKSA-N 3 1 297.447 -0.663 20 0 CBADMP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221243744 825160799 /nfs/dbraw/zinc/16/07/99/825160799.db2.gz MGLGPWIEKITUKQ-DZGCQCFKSA-N 3 1 297.447 -0.663 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221243744 825160802 /nfs/dbraw/zinc/16/08/02/825160802.db2.gz MGLGPWIEKITUKQ-DZGCQCFKSA-N 3 1 297.447 -0.663 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001221254088 825162630 /nfs/dbraw/zinc/16/26/30/825162630.db2.gz FJKWDLSATJNZLH-UWVGGRQHSA-N 3 1 260.407 -0.927 20 0 CBADMP N=C(NC(=O)[C@@H]([NH3+])CC[NH3+])c1cnc2ccc(F)cn21 ZINC001221322344 825170894 /nfs/dbraw/zinc/17/08/94/825170894.db2.gz BCLAQOCDYKUDML-QMMMGPOBSA-N 2 1 278.291 -0.409 20 0 CBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)NCCCC[NH3+])C1 ZINC001221348151 825174937 /nfs/dbraw/zinc/17/49/37/825174937.db2.gz UXSGFVYKICOJQE-NSHDSACASA-N 2 1 256.394 -0.086 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367538 825175872 /nfs/dbraw/zinc/17/58/72/825175872.db2.gz QNKVRZIYVZVGFD-GHMZBOCLSA-N 3 1 258.341 -0.856 20 0 CBADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[NH2+]CCN1 ZINC001221358536 825176272 /nfs/dbraw/zinc/17/62/72/825176272.db2.gz PLMJALVANZZLLY-STQMWFEESA-N 2 1 298.431 -0.589 20 0 CBADMP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001221359114 825176286 /nfs/dbraw/zinc/17/62/86/825176286.db2.gz UHLIMSFSFAXOLL-RWMBFGLXSA-N 2 1 298.431 -0.604 20 0 CBADMP CN(C)C(=O)c1ccc(CCNC(=O)[C@@H]([NH3+])CC[NH3+])cc1 ZINC001221393271 825180347 /nfs/dbraw/zinc/18/03/47/825180347.db2.gz VSDUJEPYSIRYBQ-ZDUSSCGKSA-N 2 1 292.383 -0.277 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C[C@@H]1COCCN1 ZINC001221390595 825180710 /nfs/dbraw/zinc/18/07/10/825180710.db2.gz GUIFLLJQADZFAM-LLVKDONJSA-N 2 1 285.392 -0.571 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2O)[C@H](C)C1 ZINC001221407049 825183829 /nfs/dbraw/zinc/18/38/29/825183829.db2.gz KHAMJDQXTBAMMF-VOAKCMCISA-N 2 1 269.389 -0.198 20 0 CBADMP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2COC[NH2+]2)c1 ZINC001221404408 825184159 /nfs/dbraw/zinc/18/41/59/825184159.db2.gz IMTGFRXEXAHVJU-NEPJUHHUSA-N 2 1 265.313 -0.243 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@@H](C)C1 ZINC001221409886 825185626 /nfs/dbraw/zinc/18/56/26/825185626.db2.gz VLYXPNZIGUPLRY-QNWHQSFQSA-N 2 1 269.389 -0.056 20 0 CBADMP C[C@]1(C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)COCC[NH2+]1 ZINC001221410803 825186232 /nfs/dbraw/zinc/18/62/32/825186232.db2.gz RKXAZRLLKBYJIU-TZMCWYRMSA-N 2 1 267.373 -0.131 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)C1 ZINC001221415026 825187772 /nfs/dbraw/zinc/18/77/72/825187772.db2.gz WBYZVHCCHPMEAU-SDDRHHMPSA-N 2 1 252.362 -0.820 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789300 825193864 /nfs/dbraw/zinc/19/38/64/825193864.db2.gz OPCWXYJBKXJWRD-IJLUTSLNSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789300 825193871 /nfs/dbraw/zinc/19/38/71/825193871.db2.gz OPCWXYJBKXJWRD-IJLUTSLNSA-N 2 1 282.388 -0.655 20 0 CBADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222091077 825201278 /nfs/dbraw/zinc/20/12/78/825201278.db2.gz OLYOCBHABGLTHE-UHFFFAOYSA-N 2 1 293.371 -0.276 20 0 CBADMP O=C1CC[C@@H](CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)N1 ZINC001222492193 825211757 /nfs/dbraw/zinc/21/17/57/825211757.db2.gz QKCBAZHTMXMGRX-SRVKXCTJSA-N 2 1 252.362 -0.709 20 0 CBADMP C([C@H]1COCC[NH2+]1)N1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492393 825211865 /nfs/dbraw/zinc/21/18/65/825211865.db2.gz WLWJDVAMKFJVTJ-AVGNSLFASA-N 3 1 254.378 -0.999 20 0 CBADMP N[C@H]1NC(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)=CS1 ZINC001222491707 825211943 /nfs/dbraw/zinc/21/19/43/825211943.db2.gz HADYYNOJUSJGNJ-SRVKXCTJSA-N 2 1 269.418 -0.568 20 0 CBADMP [NH3+]CCCC[N@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222520313 825213820 /nfs/dbraw/zinc/21/38/20/825213820.db2.gz FLIMARVGQQXHOI-CYBMUJFWSA-N 3 1 252.362 -0.863 20 0 CBADMP C([C@H]1COCC[NH2+]1)N1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001222667623 825220069 /nfs/dbraw/zinc/22/00/69/825220069.db2.gz GARIRCPMNVADNS-KBPBESRZSA-N 2 1 268.405 -0.608 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227818141 825307667 /nfs/dbraw/zinc/30/76/67/825307667.db2.gz RBTOHYJBSJHSPP-CQSZACIVSA-N 2 1 296.415 -0.347 20 0 CBADMP CCNC(=O)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228992689 825327098 /nfs/dbraw/zinc/32/70/98/825327098.db2.gz UYOTVJBWSXPKFQ-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228992730 825327185 /nfs/dbraw/zinc/32/71/85/825327185.db2.gz VSIRRAKRKYWVOI-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP NC(=O)C[NH+]1CCC(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001230353342 825345938 /nfs/dbraw/zinc/34/59/38/825345938.db2.gz SHFLHDTUUAKMLK-UHFFFAOYSA-N 2 1 296.415 -0.072 20 0 CBADMP NC(=O)C[NH+]1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001230355391 825346123 /nfs/dbraw/zinc/34/61/23/825346123.db2.gz ZGEHTDBPPZZYHA-UHFFFAOYSA-N 2 1 296.415 -0.072 20 0 CBADMP COCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001231369379 825405272 /nfs/dbraw/zinc/40/52/72/825405272.db2.gz SIKDFCLELYXGQT-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231369379 825405275 /nfs/dbraw/zinc/40/52/75/825405275.db2.gz SIKDFCLELYXGQT-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231369379 825405282 /nfs/dbraw/zinc/40/52/82/825405282.db2.gz SIKDFCLELYXGQT-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001231369379 825405291 /nfs/dbraw/zinc/40/52/91/825405291.db2.gz SIKDFCLELYXGQT-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP CCOCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001231369818 825405616 /nfs/dbraw/zinc/40/56/16/825405616.db2.gz WLBWKQUXYRQXDB-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP c1cc2c(nc1CN1CC[NH2+]C[C@@]13CC[NH2+]C3)OCCO2 ZINC001234986612 825479894 /nfs/dbraw/zinc/47/98/94/825479894.db2.gz BKRVAYPKIKWLNF-HNNXBMFYSA-N 2 1 290.367 -0.010 20 0 CBADMP Cc1ncc(CO)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1O ZINC001234992334 825481922 /nfs/dbraw/zinc/48/19/22/825481922.db2.gz YLXXNYGZIQDXGU-OAHLLOKOSA-N 2 1 292.383 -0.275 20 0 CBADMP c1nc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cn1-c1cnccn1 ZINC001234995438 825482617 /nfs/dbraw/zinc/48/26/17/825482617.db2.gz XBJSGTLFYHALJJ-HNNXBMFYSA-N 2 1 299.382 -0.200 20 0 CBADMP NC(=O)c1cccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1 ZINC001234991442 825482834 /nfs/dbraw/zinc/48/28/34/825482834.db2.gz HMXRKVCFONCPLM-OAHLLOKOSA-N 2 1 274.368 -0.077 20 0 CBADMP [NH3+]C12CC(CC[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)(C1)C2 ZINC001235051692 825483960 /nfs/dbraw/zinc/48/39/60/825483960.db2.gz AAVLPYZXRKQQGP-RUXDESIVSA-N 3 1 250.390 -0.105 20 0 CBADMP [NH3+]C12CC(CCN3CCN[C@]4(CC[NH2+]C4)C3)(C1)C2 ZINC001235051692 825483964 /nfs/dbraw/zinc/48/39/64/825483964.db2.gz AAVLPYZXRKQQGP-RUXDESIVSA-N 2 1 250.390 -0.105 20 0 CBADMP CC(=O)N1CCC[C@H](C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001235053526 825484720 /nfs/dbraw/zinc/48/47/20/825484720.db2.gz UJNRSLFKXKEWQD-HUUCEWRRSA-N 2 1 280.416 -0.118 20 0 CBADMP C[N@H+]1CCC[C@@H](CN2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001235056322 825485280 /nfs/dbraw/zinc/48/52/80/825485280.db2.gz XSVJHPYNQCLGHY-ZIAGYGMSSA-N 2 1 252.406 -0.035 20 0 CBADMP c1c(CN2CCN[C@]3(CC[NH2+]C3)C2)nc2n1CC[NH2+]C2 ZINC001235055073 825485453 /nfs/dbraw/zinc/48/54/53/825485453.db2.gz ZFINGEYTSXUDBH-AWEZNQCLSA-N 2 1 276.388 -0.876 20 0 CBADMP CC1(C)NC[C@@H](C[NH+]2CCC3(CC2)COCC(=O)N3)O1 ZINC001235205546 825489762 /nfs/dbraw/zinc/48/97/62/825489762.db2.gz NHQZHZUKICLVKS-NSHDSACASA-N 2 1 283.372 -0.308 20 0 CBADMP COCCN1CC[N@H+](C)C2(CCN(C[C@@H](C)[NH3+])CC2)C1=O ZINC001235453756 825495654 /nfs/dbraw/zinc/49/56/54/825495654.db2.gz LHSRNZIACRIGLO-CYBMUJFWSA-N 2 1 298.431 -0.411 20 0 CBADMP COCCN1CC[N@@H+](C)C2(CCN(C[C@@H](C)[NH3+])CC2)C1=O ZINC001235453756 825495658 /nfs/dbraw/zinc/49/56/58/825495658.db2.gz LHSRNZIACRIGLO-CYBMUJFWSA-N 2 1 298.431 -0.411 20 0 CBADMP [NH3+]CC[N@@H+]1C[C@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC001235471486 825498133 /nfs/dbraw/zinc/49/81/33/825498133.db2.gz FZXADOQICYLWMV-CYBMUJFWSA-N 2 1 297.399 -0.468 20 0 CBADMP [NH3+]CC[N@H+]1C[C@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC001235471486 825498139 /nfs/dbraw/zinc/49/81/39/825498139.db2.gz FZXADOQICYLWMV-CYBMUJFWSA-N 2 1 297.399 -0.468 20 0 CBADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+](CCO)CC2 ZINC001235487591 825498607 /nfs/dbraw/zinc/49/86/07/825498607.db2.gz HRCAIIILFRARKZ-UHFFFAOYSA-N 2 1 279.384 -0.197 20 0 CBADMP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235521979 825501305 /nfs/dbraw/zinc/50/13/05/825501305.db2.gz XWEOOWIHWHMABG-YWPYICTPSA-N 2 1 297.399 -0.062 20 0 CBADMP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235521979 825501311 /nfs/dbraw/zinc/50/13/11/825501311.db2.gz XWEOOWIHWHMABG-YWPYICTPSA-N 2 1 297.399 -0.062 20 0 CBADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](CCCC[NH3+])C2 ZINC001235627252 825508803 /nfs/dbraw/zinc/50/88/03/825508803.db2.gz ZKYXKDMQWADDDJ-CYBMUJFWSA-N 2 1 268.361 -0.852 20 0 CBADMP C(CN1CC[NH2+]CCNCC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001235870089 825516430 /nfs/dbraw/zinc/51/64/30/825516430.db2.gz NLCAUMLPURCWIG-OAHLLOKOSA-N 3 1 283.464 -0.540 20 0 CBADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)O1 ZINC001235994666 825520062 /nfs/dbraw/zinc/52/00/62/825520062.db2.gz USGFZLTWUVMOCL-GARJFASQSA-N 2 1 253.346 -0.221 20 0 CBADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)O1 ZINC001235994666 825520066 /nfs/dbraw/zinc/52/00/66/825520066.db2.gz USGFZLTWUVMOCL-GARJFASQSA-N 2 1 253.346 -0.221 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](CCN)C[C@H]1C2 ZINC001236023695 825520078 /nfs/dbraw/zinc/52/00/78/825520078.db2.gz SWZJMJHBRPPGAV-XZUYRWCXSA-N 2 1 253.346 -0.724 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](CCN)C[C@H]1C2 ZINC001236023695 825520086 /nfs/dbraw/zinc/52/00/86/825520086.db2.gz SWZJMJHBRPPGAV-XZUYRWCXSA-N 2 1 253.346 -0.724 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](CC[NH3+])C[C@H]1C2 ZINC001236023695 825520088 /nfs/dbraw/zinc/52/00/88/825520088.db2.gz SWZJMJHBRPPGAV-XZUYRWCXSA-N 3 1 253.346 -0.724 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](CC[NH3+])C[C@H]1C2 ZINC001236023695 825520097 /nfs/dbraw/zinc/52/00/97/825520097.db2.gz SWZJMJHBRPPGAV-XZUYRWCXSA-N 3 1 253.346 -0.724 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCN1Cc1c[nH+]c(C)n1C ZINC001236053279 825520575 /nfs/dbraw/zinc/52/05/75/825520575.db2.gz UDAFEGMJVLRATA-NSHDSACASA-N 2 1 252.318 -0.325 20 0 CBADMP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCCC[NH3+] ZINC001236267062 825526062 /nfs/dbraw/zinc/52/60/62/825526062.db2.gz XDIBOOCWPZDHHF-JTQLQIEISA-N 2 1 257.334 -0.521 20 0 CBADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])CCCCCO ZINC001236310115 825526487 /nfs/dbraw/zinc/52/64/87/825526487.db2.gz VGHJSKVIPLRNBA-UHFFFAOYSA-N 3 1 274.409 -0.735 20 0 CBADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])CCCCCO ZINC001236310115 825526491 /nfs/dbraw/zinc/52/64/91/825526491.db2.gz VGHJSKVIPLRNBA-UHFFFAOYSA-N 3 1 274.409 -0.735 20 0 CBADMP COC(=O)[C@@H]1CN(Cc2c[nH+]c(C)n2C)C[C@@H]1[NH3+] ZINC001236344093 825528163 /nfs/dbraw/zinc/52/81/63/825528163.db2.gz MWTQJZQVCZFACD-MNOVXSKESA-N 2 1 252.318 -0.339 20 0 CBADMP COC(=O)[C@@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1[NH3+] ZINC001236345826 825528322 /nfs/dbraw/zinc/52/83/22/825528322.db2.gz VBQYUYONAQIRTB-UTUOFQBUSA-N 2 1 255.362 -0.240 20 0 CBADMP COC(=O)[C@@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)C[C@H]1[NH3+] ZINC001236345822 825528366 /nfs/dbraw/zinc/52/83/66/825528366.db2.gz VBQYUYONAQIRTB-IJLUTSLNSA-N 2 1 255.362 -0.240 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@@](C)(C[NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001236604214 825533304 /nfs/dbraw/zinc/53/33/04/825533304.db2.gz JIDDHEBASGWUBU-ZUDIRPEPSA-N 2 1 286.372 -0.106 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@@](C)(C[NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001236604214 825533310 /nfs/dbraw/zinc/53/33/10/825533310.db2.gz JIDDHEBASGWUBU-ZUDIRPEPSA-N 2 1 286.372 -0.106 20 0 CBADMP O=S(=O)(CC1CC[NH2+]CC1)NCC1(F)C[NH2+]C1 ZINC001238109489 825547074 /nfs/dbraw/zinc/54/70/74/825547074.db2.gz NQQZYYQNMSCSGE-UHFFFAOYSA-N 2 1 265.354 -0.783 20 0 CBADMP O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ncc[nH]1 ZINC001238241874 825551269 /nfs/dbraw/zinc/55/12/69/825551269.db2.gz MMONZZLIGLGWNU-JTQLQIEISA-N 2 1 299.400 -0.438 20 0 CBADMP C[C@@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC001239159612 825594950 /nfs/dbraw/zinc/59/49/50/825594950.db2.gz NUGQOKWNQQQNDS-NXEZZACHSA-N 2 1 261.391 -0.250 20 0 CBADMP [NH3+][C@@]12C[C@@H]1CN(C(=S)NCCC[NH+]1CCOCC1)C2 ZINC001239443736 825604715 /nfs/dbraw/zinc/60/47/15/825604715.db2.gz JRWRQNMQJNCDCO-DGCLKSJQSA-N 2 1 284.429 -0.384 20 0 CBADMP CCOC(=O)C[C@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245987352 825618131 /nfs/dbraw/zinc/61/81/31/825618131.db2.gz RCWVXBKWNVDQGD-OLZOCXBDSA-N 2 1 299.415 -0.236 20 0 CBADMP [NH3+][C@@H]1CCC[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246016716 825621394 /nfs/dbraw/zinc/62/13/94/825621394.db2.gz NGLNTHGHBTXFSP-CHWSQXEVSA-N 3 1 271.405 -0.335 20 0 CBADMP CCOC(=O)C[C@H](O)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246018516 825622151 /nfs/dbraw/zinc/62/21/51/825622151.db2.gz DTMXZXJQZUFVMG-WCQYABFASA-N 2 1 274.361 -0.524 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246018422 825622361 /nfs/dbraw/zinc/62/23/61/825622361.db2.gz DQCXCVWQXKAPJA-UONOGXRCSA-N 3 1 273.421 -0.135 20 0 CBADMP CC[NH+](CC)C[C@H](O)CN1CCC[C@](O)(C[NH3+])CC1 ZINC001246018422 825622365 /nfs/dbraw/zinc/62/23/65/825622365.db2.gz DQCXCVWQXKAPJA-UONOGXRCSA-N 2 1 273.421 -0.135 20 0 CBADMP CCN(CC)C[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246018422 825622369 /nfs/dbraw/zinc/62/23/69/825622369.db2.gz DQCXCVWQXKAPJA-UONOGXRCSA-N 2 1 273.421 -0.135 20 0 CBADMP CCN(CC)C[C@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246018422 825622376 /nfs/dbraw/zinc/62/23/76/825622376.db2.gz DQCXCVWQXKAPJA-UONOGXRCSA-N 2 1 273.421 -0.135 20 0 CBADMP CCCOC[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246019685 825622583 /nfs/dbraw/zinc/62/25/83/825622583.db2.gz JISKHPKVTOYENB-OLZOCXBDSA-N 2 1 260.378 -0.050 20 0 CBADMP OC1(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCOCC1 ZINC001246020534 825622602 /nfs/dbraw/zinc/62/26/02/825622602.db2.gz CNXSQODGBUHCJW-STQMWFEESA-N 2 1 269.389 -0.446 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@@H+](C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001246020892 825622982 /nfs/dbraw/zinc/62/29/82/825622982.db2.gz MRXMFBQDJJETKC-OLZOCXBDSA-N 3 1 257.378 -0.723 20 0 CBADMP [NH3+]C[C@@]1(O)CCCN(C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001246020892 825622985 /nfs/dbraw/zinc/62/29/85/825622985.db2.gz MRXMFBQDJJETKC-OLZOCXBDSA-N 2 1 257.378 -0.723 20 0 CBADMP CCCOC[C@@H](O)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246017400 825623149 /nfs/dbraw/zinc/62/31/49/825623149.db2.gz ASRQSIVUSLYFOD-STQMWFEESA-N 2 1 260.378 -0.050 20 0 CBADMP CC(C)OC[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246023600 825623607 /nfs/dbraw/zinc/62/36/07/825623607.db2.gz SGLWMZIFMDZRMW-OLZOCXBDSA-N 2 1 260.378 -0.052 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246024285 825623766 /nfs/dbraw/zinc/62/37/66/825623766.db2.gz UOLMBKZWVJRQMU-OCCSQVGLSA-N 3 1 273.421 -0.089 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)CN1CCC[C@@](O)(C[NH3+])CC1 ZINC001246024285 825623768 /nfs/dbraw/zinc/62/37/68/825623768.db2.gz UOLMBKZWVJRQMU-OCCSQVGLSA-N 2 1 273.421 -0.089 20 0 CBADMP OC1(C[N@H+]2CCNC[C@@]3(CCCCN3)C2)CC[NH2+]CC1 ZINC001246023427 825623812 /nfs/dbraw/zinc/62/38/12/825623812.db2.gz BXYHXGCNBDNOOJ-AWEZNQCLSA-N 2 1 282.432 -0.482 20 0 CBADMP O[C@@]1(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CCC[NH2+]C1 ZINC001246021332 825623821 /nfs/dbraw/zinc/62/38/21/825623821.db2.gz GFTPAMSLKCHRBY-IHRRRGAJSA-N 3 1 268.405 -0.873 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)COc2cccc(F)c2)C[C@H]1O ZINC001246023993 825624189 /nfs/dbraw/zinc/62/41/89/825624189.db2.gz TWJZAWUQOSKWDD-ZKYQVNSYSA-N 2 1 284.331 -0.183 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)COc2cccc(F)c2)C[C@H]1O ZINC001246023993 825624192 /nfs/dbraw/zinc/62/41/92/825624192.db2.gz TWJZAWUQOSKWDD-ZKYQVNSYSA-N 2 1 284.331 -0.183 20 0 CBADMP CC(C)(C)OC(=O)[C@@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021326 825624432 /nfs/dbraw/zinc/62/44/32/825624432.db2.gz GDPIBVYXTGBHKT-AVGNSLFASA-N 2 1 299.415 -0.285 20 0 CBADMP OC1(C[N@H+]2CCNC[C@]3(CCCCN3)C2)CC[NH2+]CC1 ZINC001246023431 825624645 /nfs/dbraw/zinc/62/46/45/825624645.db2.gz BXYHXGCNBDNOOJ-CQSZACIVSA-N 2 1 282.432 -0.482 20 0 CBADMP CC(C)(C)OC(=O)[C@@H](O)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246025954 825626120 /nfs/dbraw/zinc/62/61/20/825626120.db2.gz HKNTUQHMPHIXSR-SMDDNHRTSA-N 2 1 285.388 -0.674 20 0 CBADMP O[C@@H](COCc1ccco1)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246026424 825626257 /nfs/dbraw/zinc/62/62/57/825626257.db2.gz NHILSXXOLCHMGS-UKRRQHHQSA-N 2 1 295.383 -0.206 20 0 CBADMP O[C@@H](COCc1ccco1)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246026424 825626260 /nfs/dbraw/zinc/62/62/60/825626260.db2.gz NHILSXXOLCHMGS-UKRRQHHQSA-N 2 1 295.383 -0.206 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246025511 825626407 /nfs/dbraw/zinc/62/64/07/825626407.db2.gz RIRMXGGPKNAMOJ-RDBSUJKOSA-N 3 1 284.448 -0.239 20 0 CBADMP COc1cccc([C@@H](O)C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001246025997 825626447 /nfs/dbraw/zinc/62/64/47/825626447.db2.gz YPXMDLUBKFVYRA-UBHSHLNASA-N 2 1 266.341 -0.020 20 0 CBADMP COc1cccc([C@@H](O)C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001246025997 825626453 /nfs/dbraw/zinc/62/64/53/825626453.db2.gz YPXMDLUBKFVYRA-UBHSHLNASA-N 2 1 266.341 -0.020 20 0 CBADMP Cc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246026109 825626539 /nfs/dbraw/zinc/62/65/39/825626539.db2.gz ZMJQZCNYKNTDKC-KCQAQPDRSA-N 2 1 280.368 -0.014 20 0 CBADMP Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246026109 825626544 /nfs/dbraw/zinc/62/65/44/825626544.db2.gz ZMJQZCNYKNTDKC-KCQAQPDRSA-N 2 1 280.368 -0.014 20 0 CBADMP O[C@@H](COCc1ccco1)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246028991 825627461 /nfs/dbraw/zinc/62/74/61/825627461.db2.gz OGEURKYZQJOVJR-HIFRSBDPSA-N 2 1 295.383 -0.206 20 0 CBADMP O[C@@]1(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC001246034726 825629212 /nfs/dbraw/zinc/62/92/12/825629212.db2.gz XWQATJDNXVTGCA-AWEZNQCLSA-N 3 1 268.405 -0.872 20 0 CBADMP O[C@@]1(CN2CCNC3(CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC001246034726 825629218 /nfs/dbraw/zinc/62/92/18/825629218.db2.gz XWQATJDNXVTGCA-AWEZNQCLSA-N 2 1 268.405 -0.872 20 0 CBADMP CC(C)[C@H](O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246054468 825630427 /nfs/dbraw/zinc/63/04/27/825630427.db2.gz JMAKOQFQVWZBLZ-CYBMUJFWSA-N 2 1 258.410 -0.912 20 0 CBADMP CC(C)(C)[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246055139 825630502 /nfs/dbraw/zinc/63/05/02/825630502.db2.gz KRLCGZBYQSMCOB-CYBMUJFWSA-N 2 1 272.437 -0.522 20 0 CBADMP O[C@H](C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)CC1(O)CC[NH2+]CC1 ZINC001246051457 825630664 /nfs/dbraw/zinc/63/06/64/825630664.db2.gz JNSKYIQSLXUNCV-ZNMIVQPWSA-N 3 1 297.443 -0.217 20 0 CBADMP O[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1)CC1(O)CC[NH2+]CC1 ZINC001246062165 825631382 /nfs/dbraw/zinc/63/13/82/825631382.db2.gz XSWOTQQIECRSTK-ILXRZTDVSA-N 3 1 297.443 -0.074 20 0 CBADMP O[C@H](C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1)CC1(O)CC[NH2+]CC1 ZINC001246062165 825631385 /nfs/dbraw/zinc/63/13/85/825631385.db2.gz XSWOTQQIECRSTK-ILXRZTDVSA-N 3 1 297.443 -0.074 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C)[NH2+]C2)CN1 ZINC001246094584 825634500 /nfs/dbraw/zinc/63/45/00/825634500.db2.gz ISBJBMBXWNZQLU-BJDJZHNGSA-N 2 1 255.362 -0.132 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C)[NH2+]C2)CN1 ZINC001246094585 825635216 /nfs/dbraw/zinc/63/52/16/825635216.db2.gz ISBJBMBXWNZQLU-FIQHERPVSA-N 2 1 255.362 -0.132 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CN1 ZINC001246111960 825636601 /nfs/dbraw/zinc/63/66/01/825636601.db2.gz PSZAAHPPQSATQE-USZNOCQGSA-N 2 1 255.362 -0.132 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)CN1 ZINC001246100655 825636642 /nfs/dbraw/zinc/63/66/42/825636642.db2.gz TZZOMHFMLMUFOS-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CN1 ZINC001246145304 825641487 /nfs/dbraw/zinc/64/14/87/825641487.db2.gz MEDWIQIJWSWXFW-FRRDWIJNSA-N 2 1 296.415 -0.646 20 0 CBADMP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CCCC[C@@]13C[NH2+]CCO3)CCN2 ZINC001246157510 825643311 /nfs/dbraw/zinc/64/33/11/825643311.db2.gz BSXMMYVHEDUSBM-IJEWVQPXSA-N 3 1 294.443 -0.029 20 0 CBADMP FC1(F)CNCC[C@@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246207696 825650328 /nfs/dbraw/zinc/65/03/28/825650328.db2.gz AUDSLZRPXUSTFY-UWVGGRQHSA-N 2 1 260.332 -0.333 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246215353 825651819 /nfs/dbraw/zinc/65/18/19/825651819.db2.gz SPIYJIXRQHAVNE-DCAQKATOSA-N 3 1 285.392 -0.479 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](n2cc3c(n2)CC[C@@H]([NH3+])C3)C[NH2+]1 ZINC001246237521 825655363 /nfs/dbraw/zinc/65/53/63/825655363.db2.gz PCWLSHZPVPJHEW-FOGDFJRCSA-N 2 1 264.329 -0.225 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CCN2CCC[N@@H+](C)CC2)CN1 ZINC001246242495 825655707 /nfs/dbraw/zinc/65/57/07/825655707.db2.gz YCCYCBKIIUMWSA-OLZOCXBDSA-N 2 1 284.404 -0.883 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCN(CCC[NH3+])CC2)CN1 ZINC001246266821 825658315 /nfs/dbraw/zinc/65/83/15/825658315.db2.gz RWQNQVLWZAVUDA-OLZOCXBDSA-N 2 1 284.404 -0.754 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](n2nnc3ccc(C[NH3+])cc32)C[NH2+]1 ZINC001246280936 825658754 /nfs/dbraw/zinc/65/87/54/825658754.db2.gz SYQUNSLLVNNYPN-KOLCDFICSA-N 2 1 275.312 -0.034 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](NCCC[N@H+](C)CCC[NH3+])CN1 ZINC001246285760 825659604 /nfs/dbraw/zinc/65/96/04/825659604.db2.gz VWEIVSINWRAPRM-NEPJUHHUSA-N 2 1 272.393 -0.850 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](NCCC[N@@H+](C)CCC[NH3+])CN1 ZINC001246285760 825659608 /nfs/dbraw/zinc/65/96/08/825659608.db2.gz VWEIVSINWRAPRM-NEPJUHHUSA-N 2 1 272.393 -0.850 20 0 CBADMP OC[C@H]1C[NH2+]C[C@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001246299480 825661731 /nfs/dbraw/zinc/66/17/31/825661731.db2.gz KZHXPJOXKTUWRC-XSCHDIRWSA-N 3 1 283.416 -0.200 20 0 CBADMP OC[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC001246299161 825661749 /nfs/dbraw/zinc/66/17/49/825661749.db2.gz JZGJJJZMWBZGDB-CMPLNLGQSA-N 2 1 256.346 -0.158 20 0 CBADMP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246305139 825661795 /nfs/dbraw/zinc/66/17/95/825661795.db2.gz GRUNTUYFINFQOW-VPOLOUISSA-N 2 1 271.361 -0.217 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1 ZINC001246315155 825663339 /nfs/dbraw/zinc/66/33/39/825663339.db2.gz HPYWXBLETLFCBI-OSUNSFLBSA-N 2 1 253.346 -0.238 20 0 CBADMP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001246305646 825663388 /nfs/dbraw/zinc/66/33/88/825663388.db2.gz JKDQWKXZMBASGB-QJPTWQEYSA-N 2 1 256.346 -0.158 20 0 CBADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCC2(C[NH2+]C2)C1 ZINC001246401959 825670108 /nfs/dbraw/zinc/67/01/08/825670108.db2.gz QOBXXCOAEMRNLC-QWRGUYRKSA-N 3 1 255.362 -0.001 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@H](NCCC[NH2+]CCC[NH3+])CN1 ZINC001246453415 825673562 /nfs/dbraw/zinc/67/35/62/825673562.db2.gz NULWZIAUAZFPEZ-JSGCOSHPSA-N 2 1 286.420 -0.412 20 0 CBADMP CC(C)C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)C(=O)NCC(N)=O ZINC001246448877 825673879 /nfs/dbraw/zinc/67/38/79/825673879.db2.gz LOBANVNHKLETOC-TUAOUCFPSA-N 2 1 284.404 -0.267 20 0 CBADMP [NH3+]CCC[NH2+]CCC[NH2+][C@H]1CSC2(C[NH2+]C2)C1 ZINC001246456652 825675223 /nfs/dbraw/zinc/67/52/23/825675223.db2.gz KYSCXGILIKUHBM-LLVKDONJSA-N 4 1 258.435 -0.248 20 0 CBADMP C[C@H](NC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(N)=O ZINC001246493332 825677264 /nfs/dbraw/zinc/67/72/64/825677264.db2.gz YBBVLGPNVVBARU-QQLNDRGWSA-N 2 1 268.361 -0.763 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@H](N[C@@H]2C[NH2+]CC[C@H]2F)C[NH2+]1 ZINC001246491555 825677380 /nfs/dbraw/zinc/67/73/80/825677380.db2.gz SYOLDLIJMIOLOS-WGBDABJCSA-N 2 1 273.352 -0.040 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])NC1CC[NH+](C)CC1 ZINC001246513628 825678295 /nfs/dbraw/zinc/67/82/95/825678295.db2.gz UARBPRUUBXKEHQ-LBPRGKRZSA-N 2 1 256.394 -0.086 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC([NH+](C)C)CC2)C[NH2+]1 ZINC001246520466 825680009 /nfs/dbraw/zinc/68/00/09/825680009.db2.gz JWXZPSMABNYQJV-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP [NH3+]CC[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246528592 825681444 /nfs/dbraw/zinc/68/14/44/825681444.db2.gz AJNOMPVVCHAYPY-VXGBXAGGSA-N 3 1 254.378 -0.870 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCN(CC[NH+](C)C)CC2)CN1 ZINC001246529169 825681856 /nfs/dbraw/zinc/68/18/56/825681856.db2.gz IVOVNTRCNDRMSV-KGLIPLIRSA-N 2 1 298.431 -0.541 20 0 CBADMP CC(=O)N1CC[C@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)C1 ZINC001246546084 825682913 /nfs/dbraw/zinc/68/29/13/825682913.db2.gz YCMVKOADZUHVRC-STQMWFEESA-N 2 1 255.362 -0.217 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246546247 825682992 /nfs/dbraw/zinc/68/29/92/825682992.db2.gz ZDSXCCXXGCTMQT-GXTWGEPZSA-N 3 1 268.405 -0.744 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@H](C)CC[C@H]2C[NH3+])C[NH2+]1 ZINC001246555277 825683923 /nfs/dbraw/zinc/68/39/23/825683923.db2.gz GFHFOVLZQQLLJI-RHYQMDGZSA-N 2 1 255.362 -0.051 20 0 CBADMP COC(=O)[C@]1(F)CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246548563 825684814 /nfs/dbraw/zinc/68/48/14/825684814.db2.gz IZOCEUWXAORKHV-MFKMUULPSA-N 2 1 271.336 -0.333 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CCN1 ZINC001246565684 825685587 /nfs/dbraw/zinc/68/55/87/825685587.db2.gz ZJHJYWNUPPWYJK-VNHYZAJKSA-N 2 1 299.415 -0.154 20 0 CBADMP COC(=O)[C@H]1C[C@@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246565826 825685627 /nfs/dbraw/zinc/68/56/27/825685627.db2.gz ZSTKCJZFXLNEGP-IVZWLZJFSA-N 2 1 277.315 -0.194 20 0 CBADMP C1C[C@H]([NH+]2CCNCC[NH2+]CCNCC2)CS1 ZINC001246822888 825717180 /nfs/dbraw/zinc/71/71/80/825717180.db2.gz TUBYZOZJAVEFRV-LBPRGKRZSA-N 2 1 258.435 -0.424 20 0 CBADMP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CCN1 ZINC001246559016 825686726 /nfs/dbraw/zinc/68/67/26/825686726.db2.gz NPZTYSKSADEVIZ-WHOHXGKFSA-N 2 1 271.361 -0.936 20 0 CBADMP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CCN1 ZINC001246559016 825686727 /nfs/dbraw/zinc/68/67/27/825686727.db2.gz NPZTYSKSADEVIZ-WHOHXGKFSA-N 2 1 271.361 -0.936 20 0 CBADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCC[C@@H](n3ncnn3)C2)C[C@H]1O ZINC001246567472 825687495 /nfs/dbraw/zinc/68/74/95/825687495.db2.gz KXRFCOWPLZFHHE-DDHJBXDOSA-N 2 1 266.349 -0.449 20 0 CBADMP COC(=O)N1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246569152 825687753 /nfs/dbraw/zinc/68/77/53/825687753.db2.gz QPYXIUQZUNEZQT-GHMZBOCLSA-N 2 1 257.334 -0.389 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@@H](N2CC[C@@H](O)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246573836 825687930 /nfs/dbraw/zinc/68/79/30/825687930.db2.gz NCHWTPLQSWLPMR-UZWSLXQKSA-N 2 1 271.361 -0.936 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@H](N2CC[C@@H]([NH3+])[C@H](O)C2)C[NH2+]1 ZINC001246573632 825688220 /nfs/dbraw/zinc/68/82/20/825688220.db2.gz YZZGPWFFIPFINO-WGBDABJCSA-N 2 1 271.361 -0.936 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC001246570583 825688254 /nfs/dbraw/zinc/68/82/54/825688254.db2.gz BFRAJXKXLXIXGD-GMXVVIOVSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2C[C@H]([NH3+])CC(F)(F)C2)C[NH2+]1 ZINC001246576180 825688526 /nfs/dbraw/zinc/68/85/26/825688526.db2.gz RHZHAIHZEHYCNZ-HRDYMLBCSA-N 2 1 263.288 -0.442 20 0 CBADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CC[C@@H](O)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246576154 825689128 /nfs/dbraw/zinc/68/91/28/825689128.db2.gz RDCQWLYMVFRVDA-WISYIIOYSA-N 2 1 285.388 -0.548 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCN(C3CC3)C(=O)C2)C[C@H]1O ZINC001246578008 825689337 /nfs/dbraw/zinc/68/93/37/825689337.db2.gz DJGUMKBAACKLMI-MVWJERBFSA-N 2 1 253.346 -0.609 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@H]([NH3+])CC(F)(F)C2)C[NH2+]1 ZINC001246576182 825689521 /nfs/dbraw/zinc/68/95/21/825689521.db2.gz RHZHAIHZEHYCNZ-VGMNWLOBSA-N 2 1 263.288 -0.442 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CO1 ZINC001246578000 825689530 /nfs/dbraw/zinc/68/95/30/825689530.db2.gz CXHJAUFOCWLSNP-YFKTTZPYSA-N 2 1 272.345 -0.652 20 0 CBADMP COC(=O)C1CCC([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246579787 825691199 /nfs/dbraw/zinc/69/11/99/825691199.db2.gz GWODAWRIBKAYHL-POSLAHMBSA-N 2 1 256.346 -0.030 20 0 CBADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2C[C@H](O)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246584538 825691291 /nfs/dbraw/zinc/69/12/91/825691291.db2.gz NKPZEVRYLMPYFB-USZNOCQGSA-N 2 1 285.388 -0.690 20 0 CBADMP C[C@]1(CO)C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1O ZINC001246593137 825692286 /nfs/dbraw/zinc/69/22/86/825692286.db2.gz RNDQGSMUMOSJAP-FRRDWIJNSA-N 2 1 269.389 -0.854 20 0 CBADMP C[C@]1(CO)C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1O ZINC001246593154 825692550 /nfs/dbraw/zinc/69/25/50/825692550.db2.gz RNDQGSMUMOSJAP-JHJVBQTASA-N 2 1 269.389 -0.854 20 0 CBADMP O=C1C[C@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246600075 825694559 /nfs/dbraw/zinc/69/45/59/825694559.db2.gz FIPNJOIGSATZFH-LLVKDONJSA-N 2 1 252.362 -0.708 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@]3(CCC[NH2+]3)C2)C[NH2+]1 ZINC001246613924 825695437 /nfs/dbraw/zinc/69/54/37/825695437.db2.gz LQODJYNEOWDNQW-GMXVVIOVSA-N 2 1 253.346 -0.282 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCO[C@@]3(CCC[NH2+]C3)C2)C[NH2+]1 ZINC001246625449 825697088 /nfs/dbraw/zinc/69/70/88/825697088.db2.gz VTQHLPNVZVOUNY-SGMGOOAPSA-N 2 1 283.372 -0.656 20 0 CBADMP C1C[C@]2(C[NH2+]1)C[NH2+]CCN2[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246625190 825697191 /nfs/dbraw/zinc/69/71/91/825697191.db2.gz PQHKVKMLZRFEGH-DGAVXFQQSA-N 3 1 250.390 -0.378 20 0 CBADMP O=C1C[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)CCN1C1CC1 ZINC001246627281 825697929 /nfs/dbraw/zinc/69/79/29/825697929.db2.gz IVWCWHNXHZGNSR-ZFWWWQNUSA-N 2 1 278.400 -0.223 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCO[C@@H]3C[NH2+]CC[C@@H]3C1)CCN2 ZINC001246630706 825698079 /nfs/dbraw/zinc/69/80/79/825698079.db2.gz KUGOZJMJDMHFJP-MGPQQGTHSA-N 3 1 280.416 -0.609 20 0 CBADMP COC(=O)[C@@]12COC[C@@H]1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246637889 825699341 /nfs/dbraw/zinc/69/93/41/825699341.db2.gz AFTSLPYQSJCCGM-HUBLWGQQSA-N 2 1 295.383 -0.798 20 0 CBADMP COC(=O)[C@@]12COC[C@@H]1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246637896 825699612 /nfs/dbraw/zinc/69/96/12/825699612.db2.gz AFTSLPYQSJCCGM-ZOWXZIJZSA-N 2 1 295.383 -0.798 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246646672 825702388 /nfs/dbraw/zinc/70/23/88/825702388.db2.gz XDABKEGCLFDMTL-UKRRQHHQSA-N 2 1 296.415 -0.739 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC3(CC[NH2+]3)CC2)C[NH2+]1 ZINC001246645084 825702437 /nfs/dbraw/zinc/70/24/37/825702437.db2.gz APXGQWDKXHSXFP-QWRGUYRKSA-N 2 1 253.346 -0.282 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1C[C@H]3CCC[NH2+][C@H]3C1)CCN2 ZINC001246660515 825703667 /nfs/dbraw/zinc/70/36/67/825703667.db2.gz UTKHJMHRVQNKBF-AGIUHOORSA-N 3 1 250.390 -0.236 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@@H+]1C[C@H]3CCCN[C@H]3C1)CCN2 ZINC001246660515 825703674 /nfs/dbraw/zinc/70/36/74/825703674.db2.gz UTKHJMHRVQNKBF-AGIUHOORSA-N 2 1 250.390 -0.236 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1C[C@H]3CCCN[C@H]3C1)CCN2 ZINC001246660515 825703683 /nfs/dbraw/zinc/70/36/83/825703683.db2.gz UTKHJMHRVQNKBF-AGIUHOORSA-N 2 1 250.390 -0.236 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246670853 825705167 /nfs/dbraw/zinc/70/51/67/825705167.db2.gz GEGYDWMJVGNTDQ-FIQHERPVSA-N 2 1 253.346 -0.426 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246670853 825705170 /nfs/dbraw/zinc/70/51/70/825705170.db2.gz GEGYDWMJVGNTDQ-FIQHERPVSA-N 2 1 253.346 -0.426 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[NH2+][C@H](C(C)C)C2)C[NH2+]1 ZINC001246685132 825705950 /nfs/dbraw/zinc/70/59/50/825705950.db2.gz IJXPUIOBCQAEPL-SRVKXCTJSA-N 2 1 255.362 -0.180 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CN1 ZINC001246682393 825706030 /nfs/dbraw/zinc/70/60/30/825706030.db2.gz CEOOVTFMROIYCJ-XLFUENPSSA-N 2 1 295.383 -0.657 20 0 CBADMP C1[NH2+]CC1[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246678948 825706570 /nfs/dbraw/zinc/70/65/70/825706570.db2.gz OSSCIACOTOONED-YPMHNXCESA-N 3 1 250.390 -0.378 20 0 CBADMP C1[NH2+]CC1[C@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246678947 825706801 /nfs/dbraw/zinc/70/68/01/825706801.db2.gz OSSCIACOTOONED-WCQYABFASA-N 3 1 250.390 -0.378 20 0 CBADMP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246710732 825707762 /nfs/dbraw/zinc/70/77/62/825707762.db2.gz PYMXLTXUPYFBKX-OUCADQQQSA-N 2 1 267.373 -0.035 20 0 CBADMP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246710732 825707769 /nfs/dbraw/zinc/70/77/69/825707769.db2.gz PYMXLTXUPYFBKX-OUCADQQQSA-N 2 1 267.373 -0.035 20 0 CBADMP OCc1ncn2c1C[N@@H+]([C@@H]1CCOC3(C[NH2+]C3)C1)CC2 ZINC001246718146 825707837 /nfs/dbraw/zinc/70/78/37/825707837.db2.gz YWKFIDDAMJWDTG-LLVKDONJSA-N 2 1 278.356 -0.288 20 0 CBADMP OCc1ncn2c1C[N@H+]([C@@H]1CCOC3(C[NH2+]C3)C1)CC2 ZINC001246718146 825707845 /nfs/dbraw/zinc/70/78/45/825707845.db2.gz YWKFIDDAMJWDTG-LLVKDONJSA-N 2 1 278.356 -0.288 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+](C)C2CC[NH2+]CC2)CN1 ZINC001246696509 825708322 /nfs/dbraw/zinc/70/83/22/825708322.db2.gz RZKSULXPUDWKRQ-NEPJUHHUSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](C)C2CC[NH2+]CC2)CN1 ZINC001246696509 825708324 /nfs/dbraw/zinc/70/83/24/825708324.db2.gz RZKSULXPUDWKRQ-NEPJUHHUSA-N 2 1 255.362 -0.036 20 0 CBADMP COC1C[C@@H]2COC[C@H](C1)[N@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246761064 825709050 /nfs/dbraw/zinc/70/90/50/825709050.db2.gz RXWBAZNJMBDILR-ICIURTGMSA-N 2 1 281.400 -0.041 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N(CC[NH+](C)C)CC[NH+](C)C)C[NH2+]1 ZINC001246783172 825710150 /nfs/dbraw/zinc/71/01/50/825710150.db2.gz NUABCYATIZDBEM-STQMWFEESA-N 3 1 286.420 -0.685 20 0 CBADMP CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246786834 825710237 /nfs/dbraw/zinc/71/02/37/825710237.db2.gz ARMRKOXZYYDGGD-CHWSQXEVSA-N 2 1 266.389 -0.319 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C[NH3+])C2)CN1 ZINC001246779697 825710611 /nfs/dbraw/zinc/71/06/11/825710611.db2.gz IOJSCPRYMSYADB-WOPDTQHZSA-N 2 1 255.362 -0.049 20 0 CBADMP CC1(C)C(=O)NCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246788760 825710881 /nfs/dbraw/zinc/71/08/81/825710881.db2.gz IZEYYVSQIWFGHI-SNVBAGLBSA-N 2 1 252.362 -0.709 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246792596 825712138 /nfs/dbraw/zinc/71/21/38/825712138.db2.gz AIQXESOVBLILTE-QWHCGFSZSA-N 2 1 280.416 -0.119 20 0 CBADMP COc1ncnc2c1CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246798504 825712993 /nfs/dbraw/zinc/71/29/93/825712993.db2.gz UMCYFMZJRVYPLN-NSHDSACASA-N 2 1 289.383 -0.063 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+](C)C[C@H]2CC[NH2+]C2)CN1 ZINC001246815299 825715295 /nfs/dbraw/zinc/71/52/95/825715295.db2.gz XSSXXVUCSOTQLJ-TUAOUCFPSA-N 2 1 255.362 -0.179 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](C)C[C@H]2CC[NH2+]C2)CN1 ZINC001246815299 825715302 /nfs/dbraw/zinc/71/53/02/825715302.db2.gz XSSXXVUCSOTQLJ-TUAOUCFPSA-N 2 1 255.362 -0.179 20 0 CBADMP CC1(C)C[C@@H]([NH+]2CCNCC[NH2+]CCNCC2)CO1 ZINC001246821090 825716185 /nfs/dbraw/zinc/71/61/85/825716185.db2.gz LGIWOLNVZAERSJ-CYBMUJFWSA-N 2 1 270.421 -0.362 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCN(CCC[NH+](C)C)CC2)C[NH2+]1 ZINC001246823408 825717480 /nfs/dbraw/zinc/71/74/80/825717480.db2.gz GGKYQVSHAGKIMY-KGLIPLIRSA-N 2 1 298.431 -0.541 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CN1 ZINC001246840608 825720299 /nfs/dbraw/zinc/72/02/99/825720299.db2.gz IYRXSVFOBCDZMF-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CN1 ZINC001246840608 825720303 /nfs/dbraw/zinc/72/03/03/825720303.db2.gz IYRXSVFOBCDZMF-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CN1 ZINC001246840608 825720306 /nfs/dbraw/zinc/72/03/06/825720306.db2.gz IYRXSVFOBCDZMF-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246842385 825720439 /nfs/dbraw/zinc/72/04/39/825720439.db2.gz QPCSFAFXCYUNBX-RNJOBUHISA-N 3 1 250.390 -0.251 20 0 CBADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246842385 825720443 /nfs/dbraw/zinc/72/04/43/825720443.db2.gz QPCSFAFXCYUNBX-RNJOBUHISA-N 3 1 250.390 -0.251 20 0 CBADMP O=C1NCC[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]12 ZINC001246854985 825722865 /nfs/dbraw/zinc/72/28/65/825722865.db2.gz RRLKGARJKHXQIY-SDDRHHMPSA-N 2 1 264.373 -0.852 20 0 CBADMP Cn1cnc2c1CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246854700 825723201 /nfs/dbraw/zinc/72/32/01/825723201.db2.gz FWXMYILDNVFASC-NSHDSACASA-N 2 1 261.373 -0.128 20 0 CBADMP Cn1cnc2c1CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246854700 825723205 /nfs/dbraw/zinc/72/32/05/825723205.db2.gz FWXMYILDNVFASC-NSHDSACASA-N 2 1 261.373 -0.128 20 0 CBADMP CCOC(=O)[C@]12C[N@H+]([C@H]3CCNC(=O)C3)C[C@H]1C[NH2+]CC2 ZINC001246859465 825724153 /nfs/dbraw/zinc/72/41/53/825724153.db2.gz PBXCDRHJPKKTRH-TYNCELHUSA-N 2 1 295.383 -0.260 20 0 CBADMP COC(=O)[C@H]([NH3+])C1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246865242 825724703 /nfs/dbraw/zinc/72/47/03/825724703.db2.gz SHZXTOJJSFIXDF-QWHCGFSZSA-N 3 1 296.415 -0.707 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@@]3(CC[N@H+](C)C3)C2)C[NH2+]1 ZINC001246868924 825725849 /nfs/dbraw/zinc/72/58/49/825725849.db2.gz PPXOBLBNWZHMSJ-MBNYWOFBSA-N 2 1 267.373 -0.083 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[NH2+]1 ZINC001246868924 825725853 /nfs/dbraw/zinc/72/58/53/825725853.db2.gz PPXOBLBNWZHMSJ-MBNYWOFBSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2CC[NH2+]C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246867003 825726387 /nfs/dbraw/zinc/72/63/87/825726387.db2.gz MENIBHJVEOPENU-COPLHBTASA-N 2 1 299.371 -0.883 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)CN1 ZINC001246872263 825727315 /nfs/dbraw/zinc/72/73/15/825727315.db2.gz QDCLCHJCQXVXAY-MJBXVCDLSA-N 2 1 296.415 -0.613 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@H]3C[C@@]3([NH3+])C2)C[NH2+]1 ZINC001246875170 825727353 /nfs/dbraw/zinc/72/73/53/825727353.db2.gz XSTZKPMVSVJHDL-LYIQGSDWSA-N 2 1 253.346 -0.297 20 0 CBADMP CC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246894073 825729230 /nfs/dbraw/zinc/72/92/30/825729230.db2.gz NCQUIEFKPWOZGW-RYUDHWBXSA-N 2 1 252.362 -0.709 20 0 CBADMP COC[C@@H]1COCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246914469 825731164 /nfs/dbraw/zinc/73/11/64/825731164.db2.gz LIPHPUPCGDDOSB-VXGBXAGGSA-N 2 1 255.362 -0.572 20 0 CBADMP COC(=O)[C@H](N)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246920827 825731891 /nfs/dbraw/zinc/73/18/91/825731891.db2.gz JYWCWGAXHUWITI-ZYHUDNBSSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@H](N)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246920827 825731895 /nfs/dbraw/zinc/73/18/95/825731895.db2.gz JYWCWGAXHUWITI-ZYHUDNBSSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@H](N)[C@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246928434 825732644 /nfs/dbraw/zinc/73/26/44/825732644.db2.gz ZMFLZWWFOSUJGY-YNEHKIRRSA-N 2 1 296.415 -0.707 20 0 CBADMP COC(=O)[C@H]([NH3+])[C@@H]1CCCN([C@@H]2CCC[NH2+]C2)C1 ZINC001246926888 825732881 /nfs/dbraw/zinc/73/28/81/825732881.db2.gz UTRWLLNXZOOBTG-IJLUTSLNSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CSC3(C[NH2+]C3)C2)C[C@H]1N ZINC001246930023 825732741 /nfs/dbraw/zinc/73/27/41/825732741.db2.gz JPOAQLYPDRJQSD-IVZWLZJFSA-N 2 1 271.386 -0.734 20 0 CBADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CSC3(C[NH2+]C3)C2)C[C@H]1N ZINC001246930023 825732747 /nfs/dbraw/zinc/73/27/47/825732747.db2.gz JPOAQLYPDRJQSD-IVZWLZJFSA-N 2 1 271.386 -0.734 20 0 CBADMP O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)N1 ZINC001246924834 825732765 /nfs/dbraw/zinc/73/27/65/825732765.db2.gz TZGUHGANSIPTJE-BVUQATHDSA-N 2 1 278.356 -0.057 20 0 CBADMP COCC[N@H+]([C@H]1CCC[NH2+]C1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246926736 825733067 /nfs/dbraw/zinc/73/30/67/825733067.db2.gz DYUCSFJDSMXXPS-KBPBESRZSA-N 3 1 282.432 -0.219 20 0 CBADMP COCC[N@@H+]([C@H]1CCC[NH2+]C1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246926736 825733069 /nfs/dbraw/zinc/73/30/69/825733069.db2.gz DYUCSFJDSMXXPS-KBPBESRZSA-N 3 1 282.432 -0.219 20 0 CBADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C[C@@H]1N ZINC001246929431 825733077 /nfs/dbraw/zinc/73/30/77/825733077.db2.gz CYDLIQQXFJBKEP-MXWKQRLJSA-N 2 1 253.346 -0.439 20 0 CBADMP COC(=O)[C@H](N)[C@@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246928431 825733275 /nfs/dbraw/zinc/73/32/75/825733275.db2.gz ZMFLZWWFOSUJGY-FRRDWIJNSA-N 2 1 296.415 -0.707 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N(CCOC)[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC001246930074 825733289 /nfs/dbraw/zinc/73/32/89/825733289.db2.gz SSCPLWDWSQFQSV-UMVBOHGHSA-N 2 1 299.415 -0.020 20 0 CBADMP COC(=O)[C@@H]1C[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1N ZINC001246931343 825734876 /nfs/dbraw/zinc/73/48/76/825734876.db2.gz NVEAAGAXAUVHRS-IYKVGLELSA-N 2 1 253.346 -0.584 20 0 CBADMP Cn1cnc2c1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246947561 825735598 /nfs/dbraw/zinc/73/55/98/825735598.db2.gz ZYBXXQMBLOQKGM-LLVKDONJSA-N 2 1 261.373 -0.128 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N(C(C)C)[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC001246957478 825735725 /nfs/dbraw/zinc/73/57/25/825735725.db2.gz ANTVVSZPFVWXJN-WOPDTQHZSA-N 2 1 255.362 -0.038 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CN1 ZINC001246978198 825737364 /nfs/dbraw/zinc/73/73/64/825737364.db2.gz VCQNZQYKMCBJDI-HGCLJGPKSA-N 2 1 253.346 -0.441 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CN1 ZINC001246978201 825737807 /nfs/dbraw/zinc/73/78/07/825737807.db2.gz VCQNZQYKMCBJDI-SVNGYHJRSA-N 2 1 253.346 -0.441 20 0 CBADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]12 ZINC001246972003 825738315 /nfs/dbraw/zinc/73/83/15/825738315.db2.gz CEGLQLGNHSBAPL-YVECIDJPSA-N 3 1 250.390 -0.251 20 0 CBADMP CC[NH+](CC)C[C@H]1CN([C@H]2C[NH2+][C@H](C(=O)OC)C2)CCO1 ZINC001246983783 825739302 /nfs/dbraw/zinc/73/93/02/825739302.db2.gz IWLXEXZHFJKRNA-RDBSUJKOSA-N 2 1 299.415 -0.068 20 0 CBADMP COC(=O)CC[C@@H]1COCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246998056 825740318 /nfs/dbraw/zinc/74/03/18/825740318.db2.gz DLWOQHXJONWAEE-CHWSQXEVSA-N 2 1 297.399 -0.266 20 0 CBADMP COC(=O)CC[C@@H]1COCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246998056 825740325 /nfs/dbraw/zinc/74/03/25/825740325.db2.gz DLWOQHXJONWAEE-CHWSQXEVSA-N 2 1 297.399 -0.266 20 0 CBADMP O=C1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]2CCCN12 ZINC001246993617 825740392 /nfs/dbraw/zinc/74/03/92/825740392.db2.gz OOPNJFIFTBQNLH-OLZOCXBDSA-N 2 1 278.400 -0.223 20 0 CBADMP COC(=O)CO[C@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246999737 825740927 /nfs/dbraw/zinc/74/09/27/825740927.db2.gz TUJBOAUFDBKPDT-RYUDHWBXSA-N 2 1 283.372 -0.656 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC(F)(F)C[C@H]2C[NH3+])C[NH2+]1 ZINC001246992765 825741284 /nfs/dbraw/zinc/74/12/84/825741284.db2.gz RCGZVGAMPVNAFB-CIUDSAMLSA-N 2 1 263.288 -0.442 20 0 CBADMP COC(=O)CC[C@@H]1COCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246998059 825741435 /nfs/dbraw/zinc/74/14/35/825741435.db2.gz DLWOQHXJONWAEE-QWHCGFSZSA-N 2 1 297.399 -0.266 20 0 CBADMP COC(=O)CC[C@@H]1COCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246998059 825741442 /nfs/dbraw/zinc/74/14/42/825741442.db2.gz DLWOQHXJONWAEE-QWHCGFSZSA-N 2 1 297.399 -0.266 20 0 CBADMP CC(=O)[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001247002745 825742158 /nfs/dbraw/zinc/74/21/58/825742158.db2.gz LFFBJRGFBZUFMB-VXGBXAGGSA-N 2 1 253.346 -0.630 20 0 CBADMP CC(=O)[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001247002745 825742161 /nfs/dbraw/zinc/74/21/61/825742161.db2.gz LFFBJRGFBZUFMB-VXGBXAGGSA-N 2 1 253.346 -0.630 20 0 CBADMP C[NH+](C)CCNC(=S)NCC[N@H+]1CCC[C@@H](O)C1 ZINC001249849653 825750848 /nfs/dbraw/zinc/75/08/48/825750848.db2.gz PFAIZQHOGKVLOB-LLVKDONJSA-N 2 1 274.434 -0.531 20 0 CBADMP C[C@H](O)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001251961348 825809807 /nfs/dbraw/zinc/80/98/07/825809807.db2.gz JJAWFZALAHYNJI-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP CCOC[C@H](O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252029810 825812380 /nfs/dbraw/zinc/81/23/80/825812380.db2.gz WZOGAZFZUCINPR-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP OC[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001252072691 825828977 /nfs/dbraw/zinc/82/89/77/825828977.db2.gz FEMINQDEZKJTFS-PMPSAXMXSA-N 2 1 294.395 -0.188 20 0 CBADMP OC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001252072691 825828987 /nfs/dbraw/zinc/82/89/87/825828987.db2.gz FEMINQDEZKJTFS-PMPSAXMXSA-N 2 1 294.395 -0.188 20 0 CBADMP CCCC[C@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001252108637 825832124 /nfs/dbraw/zinc/83/21/24/825832124.db2.gz QMSGWNIPNJDMLM-ZDUSSCGKSA-N 2 1 262.394 -0.196 20 0 CBADMP COC(=O)[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252417739 825845746 /nfs/dbraw/zinc/84/57/46/825845746.db2.gz MKCKROLCTADDRY-YNEHKIRRSA-N 2 1 285.388 -0.770 20 0 CBADMP COC(=O)[C@@H](O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252417737 825846123 /nfs/dbraw/zinc/84/61/23/825846123.db2.gz MKCKROLCTADDRY-XQQFMLRXSA-N 2 1 285.388 -0.770 20 0 CBADMP COC(=O)[C@H](O)C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001252417978 825846376 /nfs/dbraw/zinc/84/63/76/825846376.db2.gz OTQJWOWRVUIPPX-SNVBAGLBSA-N 2 1 285.344 -0.350 20 0 CBADMP COC(=O)[C@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001252419961 825848441 /nfs/dbraw/zinc/84/84/41/825848441.db2.gz FVXKTQBWDGDCMU-CYBMUJFWSA-N 2 1 285.388 -0.768 20 0 CBADMP COCC[NH+]1CCC([NH2+]C[C@H](O)C(=O)OC)CC1 ZINC001252444090 825862929 /nfs/dbraw/zinc/86/29/29/825862929.db2.gz JITHYMBUBIDZQS-NSHDSACASA-N 2 1 260.334 -0.779 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](CC2(O)CCOCC2)CCC1=O ZINC001252963637 825896545 /nfs/dbraw/zinc/89/65/45/825896545.db2.gz VRPCFDOUTPAEJK-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001253187490 825902877 /nfs/dbraw/zinc/90/28/77/825902877.db2.gz FECYHWLVLGVNKQ-XQQFMLRXSA-N 2 1 269.389 -0.243 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001253187490 825902880 /nfs/dbraw/zinc/90/28/80/825902880.db2.gz FECYHWLVLGVNKQ-XQQFMLRXSA-N 2 1 269.389 -0.243 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[NH2+]CCN1CCOC1=O ZINC001253207460 825904999 /nfs/dbraw/zinc/90/49/99/825904999.db2.gz IFIJFZFMAQZIJX-LLVKDONJSA-N 2 1 259.350 -0.269 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[NH2+]CCOCCOCCOC ZINC001253206058 825905711 /nfs/dbraw/zinc/90/57/11/825905711.db2.gz KGGWZBAGPOIACB-AWEZNQCLSA-N 2 1 292.420 -0.042 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CNC(=O)C1(C)C ZINC001253217536 825906789 /nfs/dbraw/zinc/90/67/89/825906789.db2.gz YKWDNBKMEIRUJG-QWRGUYRKSA-N 2 1 257.378 -0.197 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[NH2+]CCN1CCOC[C@@H]1C ZINC001253214949 825906822 /nfs/dbraw/zinc/90/68/22/825906822.db2.gz TYOISBKVMSEALL-KBPBESRZSA-N 2 1 273.421 -0.001 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CCN(C(C)=O)C1 ZINC001253210840 825907431 /nfs/dbraw/zinc/90/74/31/825907431.db2.gz PDNVBJYVVOOMIG-QWHCGFSZSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)CNCC[N@H+]1CCC[C@H](O)C1 ZINC001253407156 825913358 /nfs/dbraw/zinc/91/33/58/825913358.db2.gz FKOFTZWZOCPCEM-STQMWFEESA-N 2 1 273.421 -0.218 20 0 CBADMP CCOC(=O)C[C@H](O)C[NH2+]CCC[N@@H+](C)CCO ZINC001253813686 825933982 /nfs/dbraw/zinc/93/39/82/825933982.db2.gz CPXNXYSBPJOCNB-NSHDSACASA-N 2 1 262.350 -0.796 20 0 CBADMP COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CCC[N@@H+](C)CC1 ZINC001254504033 825964390 /nfs/dbraw/zinc/96/43/90/825964390.db2.gz RLWPQOPUODHGAT-RYUDHWBXSA-N 2 1 299.419 -0.135 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCC[N@H+](C)CC1 ZINC001254504033 825964398 /nfs/dbraw/zinc/96/43/98/825964398.db2.gz RLWPQOPUODHGAT-RYUDHWBXSA-N 3 1 299.419 -0.135 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCC[N@@H+](C)CC1 ZINC001254504033 825964403 /nfs/dbraw/zinc/96/44/03/825964403.db2.gz RLWPQOPUODHGAT-RYUDHWBXSA-N 3 1 299.419 -0.135 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254507900 825965352 /nfs/dbraw/zinc/96/53/52/825965352.db2.gz OMKUENDXASTIJZ-SNVBAGLBSA-N 2 1 257.334 -0.651 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254507900 825965358 /nfs/dbraw/zinc/96/53/58/825965358.db2.gz OMKUENDXASTIJZ-SNVBAGLBSA-N 2 1 257.334 -0.651 20 0 CBADMP C[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)C(=O)NCC(N)=O ZINC001254507640 825965518 /nfs/dbraw/zinc/96/55/18/825965518.db2.gz DSXSUSNPIWBTRW-UWVGGRQHSA-N 2 1 256.350 -0.950 20 0 CBADMP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)C(=O)NCC(N)=O ZINC001254507640 825965521 /nfs/dbraw/zinc/96/55/21/825965521.db2.gz DSXSUSNPIWBTRW-UWVGGRQHSA-N 2 1 256.350 -0.950 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254507899 825966391 /nfs/dbraw/zinc/96/63/91/825966391.db2.gz OMKUENDXASTIJZ-JTQLQIEISA-N 2 1 257.334 -0.651 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254507899 825966397 /nfs/dbraw/zinc/96/63/97/825966397.db2.gz OMKUENDXASTIJZ-JTQLQIEISA-N 2 1 257.334 -0.651 20 0 CBADMP COC(=O)[C@@H]([NH3+])Cc1cncn1[C@@H]1CC[N@H+](C)C1 ZINC001255411035 825981407 /nfs/dbraw/zinc/98/14/07/825981407.db2.gz CAPQMIUAWZJJGW-KOLCDFICSA-N 2 1 252.318 -0.198 20 0 CBADMP COC(=O)[C@@H]([NH3+])Cc1cncn1[C@@H]1CC[N@@H+](C)C1 ZINC001255411035 825981417 /nfs/dbraw/zinc/98/14/17/825981417.db2.gz CAPQMIUAWZJJGW-KOLCDFICSA-N 2 1 252.318 -0.198 20 0 CBADMP COC(=O)[C@H](N)Cc1cn([C@@H]2CC[N@@H+](C)C2)cn1 ZINC001255425310 825982876 /nfs/dbraw/zinc/98/28/76/825982876.db2.gz CXRKYCHLWAZZHC-GHMZBOCLSA-N 2 1 252.318 -0.198 20 0 CBADMP COC[C@@H](C)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC ZINC001255558100 825988885 /nfs/dbraw/zinc/98/88/85/825988885.db2.gz BEZLZUJHQWFORM-BDAKNGLRSA-N 2 1 260.338 -0.584 20 0 CBADMP COC(=O)CNC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255670531 825992515 /nfs/dbraw/zinc/99/25/15/825992515.db2.gz UEHRVQJUPIFIOM-YOGCLGLASA-N 2 1 283.372 -0.120 20 0 CBADMP C[N@H+]1CCCN(CC[NH2+]C2CCS(=O)(=O)CC2)CC1 ZINC001256380519 826020678 /nfs/dbraw/zinc/02/06/78/826020678.db2.gz WONKABYAHXTHRS-UHFFFAOYSA-N 2 1 289.445 -0.209 20 0 CBADMP CCOC(=O)CC[C@H](C)[NH2+]CCC[NH+](CCO)CCO ZINC001258474340 826065922 /nfs/dbraw/zinc/06/59/22/826065922.db2.gz RDEXAKFGHFSUDA-ZDUSSCGKSA-N 2 1 290.404 -0.016 20 0 CBADMP CC[NH+](CC)CCC[C@H](C)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001258905753 826070259 /nfs/dbraw/zinc/07/02/59/826070259.db2.gz WPOGWTQBAHLFEX-XUXIUFHCSA-N 2 1 284.452 -0.511 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001261380790 826508953 /nfs/dbraw/zinc/50/89/53/826508953.db2.gz REIAVYSCUYTQHP-VXGBXAGGSA-N 2 1 286.420 -0.053 20 0 CBADMP C[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001261493120 826524350 /nfs/dbraw/zinc/52/43/50/826524350.db2.gz KXHFEHWRCCSHQC-NXEZZACHSA-N 2 1 251.334 -0.512 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)c1cnn(C)c1 ZINC001261500497 826526604 /nfs/dbraw/zinc/52/66/04/826526604.db2.gz UNDQYRGYWYCQEB-RYUDHWBXSA-N 2 1 265.361 -0.109 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)c1cnn(C)c1 ZINC001261500497 826526607 /nfs/dbraw/zinc/52/66/07/826526607.db2.gz UNDQYRGYWYCQEB-RYUDHWBXSA-N 2 1 265.361 -0.109 20 0 CBADMP O=C(C[N@@H+]1CCCC[C@@H]1CCO)N1CC[NH2+]CC1 ZINC001261642950 826553430 /nfs/dbraw/zinc/55/34/30/826553430.db2.gz ZZBCUTADGCUEGR-GFCCVEGCSA-N 2 1 255.362 -0.345 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001261645251 826555287 /nfs/dbraw/zinc/55/52/87/826555287.db2.gz ZWTBBBJAEDJHSK-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001261645252 826555429 /nfs/dbraw/zinc/55/54/29/826555429.db2.gz ZWTBBBJAEDJHSK-LBPRGKRZSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])n1C ZINC001262007431 826618406 /nfs/dbraw/zinc/61/84/06/826618406.db2.gz FTWXGHHVTRHBJJ-VHSXEESVSA-N 2 1 267.333 -0.782 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC001262065082 826630113 /nfs/dbraw/zinc/63/01/13/826630113.db2.gz QYSXCLXQPKCAJU-MGCOHNPYSA-N 2 1 268.361 -0.950 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001262068803 826631041 /nfs/dbraw/zinc/63/10/41/826631041.db2.gz LPIQZDWOOPLOOG-RWMBFGLXSA-N 2 1 296.415 -0.489 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC001262117648 826638820 /nfs/dbraw/zinc/63/88/20/826638820.db2.gz UUOANFMMKRCTRW-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC001262117648 826638822 /nfs/dbraw/zinc/63/88/22/826638822.db2.gz UUOANFMMKRCTRW-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C(=O)NC[C@H]1CCCO1)N1CC[NH2+]CC[NH2+]CC1 ZINC001262195198 826657546 /nfs/dbraw/zinc/65/75/46/826657546.db2.gz SIZDMCRCXRPHRP-CHWSQXEVSA-N 2 1 284.404 -0.835 20 0 CBADMP Cn1ncnc1CCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC001262576492 826711753 /nfs/dbraw/zinc/71/17/53/826711753.db2.gz QKOJFSABMHSEPP-GFCCVEGCSA-N 2 1 267.377 -0.208 20 0 CBADMP Cn1ncnc1CCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001262576492 826711757 /nfs/dbraw/zinc/71/17/57/826711757.db2.gz QKOJFSABMHSEPP-GFCCVEGCSA-N 2 1 267.377 -0.208 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1(C[NH3+])CC(O)C1 ZINC001263096642 826737072 /nfs/dbraw/zinc/73/70/72/826737072.db2.gz XKVJFFPSZGMWLE-DCBWTQNWSA-N 2 1 269.389 -0.114 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)CNCC[NH3+])C1 ZINC001263100249 826737092 /nfs/dbraw/zinc/73/70/92/826737092.db2.gz JFEBOYXENMMFMX-GFCCVEGCSA-N 2 1 256.394 -0.371 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCSCCC[NH3+] ZINC001263103878 826738589 /nfs/dbraw/zinc/73/85/89/826738589.db2.gz PIEPROKFBORMTL-LBPRGKRZSA-N 2 1 288.461 -0.180 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC001263110337 826741208 /nfs/dbraw/zinc/74/12/08/826741208.db2.gz SZPRWLDQMKWIDH-FVCCEPFGSA-N 2 1 266.389 -0.382 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC12CC(C1)C[NH2+]2 ZINC001263160894 826746199 /nfs/dbraw/zinc/74/61/99/826746199.db2.gz QGMAZTYLFBWJBR-ATWGWHJKSA-N 2 1 264.373 -0.757 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001263210168 826754040 /nfs/dbraw/zinc/75/40/40/826754040.db2.gz DDQVCMZVFCZHOF-GFCCVEGCSA-N 2 1 254.378 -0.650 20 0 CBADMP CN1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC[N@H+](C)CC1 ZINC001263245786 826756950 /nfs/dbraw/zinc/75/69/50/826756950.db2.gz VBHULFDRFKQOBP-AWEZNQCLSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC[N@@H+](C)CC1 ZINC001263245786 826756959 /nfs/dbraw/zinc/75/69/59/826756959.db2.gz VBHULFDRFKQOBP-AWEZNQCLSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001263245899 826757610 /nfs/dbraw/zinc/75/76/10/826757610.db2.gz ZMGBZGAQNNZXPJ-GFCCVEGCSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001263245899 826757613 /nfs/dbraw/zinc/75/76/13/826757613.db2.gz ZMGBZGAQNNZXPJ-GFCCVEGCSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H](NC(=O)CCC1C[NH2+]C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001263305999 826762280 /nfs/dbraw/zinc/76/22/80/826762280.db2.gz NFQKCGOHROEDBV-AAEUAGOBSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H](NC(=O)CCC1C[NH2+]C1)[C@@H]1CN(C)CCN1C ZINC001263305999 826762282 /nfs/dbraw/zinc/76/22/82/826762282.db2.gz NFQKCGOHROEDBV-AAEUAGOBSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H](NC(=O)CCC1C[NH2+]C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001263305999 826762287 /nfs/dbraw/zinc/76/22/87/826762287.db2.gz NFQKCGOHROEDBV-AAEUAGOBSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H](NC(=O)CCC1C[NH2+]C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001263305999 826762291 /nfs/dbraw/zinc/76/22/91/826762291.db2.gz NFQKCGOHROEDBV-AAEUAGOBSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1C[N@@H+](C)CCN1C ZINC001263305682 826762783 /nfs/dbraw/zinc/76/27/83/826762783.db2.gz DJAFQULWRFMZBP-LBELIVKGSA-N 2 1 266.389 -0.798 20 0 CBADMP C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CN(C)CCN1C ZINC001263305682 826762786 /nfs/dbraw/zinc/76/27/86/826762786.db2.gz DJAFQULWRFMZBP-LBELIVKGSA-N 2 1 266.389 -0.798 20 0 CBADMP C[NH2+]CCCCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001263318255 826763425 /nfs/dbraw/zinc/76/34/25/826763425.db2.gz DZFCXGZVZOURRE-DZGCQCFKSA-N 2 1 299.415 -0.282 20 0 CBADMP CO[C@H](C)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001264973656 826825623 /nfs/dbraw/zinc/82/56/23/826825623.db2.gz FBJSBWWVMONLAQ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@H](C)C[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001264973656 826825634 /nfs/dbraw/zinc/82/56/34/826825634.db2.gz FBJSBWWVMONLAQ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@H](C)C[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001264973656 826825646 /nfs/dbraw/zinc/82/56/46/826825646.db2.gz FBJSBWWVMONLAQ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@H](C)C[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001264973656 826825656 /nfs/dbraw/zinc/82/56/56/826825656.db2.gz FBJSBWWVMONLAQ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[C@@H](C(=O)NCCC[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001265037311 826838771 /nfs/dbraw/zinc/83/87/71/826838771.db2.gz VOZNITDMQTWFNC-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001265318990 826882904 /nfs/dbraw/zinc/88/29/04/826882904.db2.gz GPESSXUWNXXOST-RYUDHWBXSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@H](C)O)C1 ZINC001265318990 826882915 /nfs/dbraw/zinc/88/29/15/826882915.db2.gz GPESSXUWNXXOST-RYUDHWBXSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@H](C)O)C1 ZINC001265318990 826882927 /nfs/dbraw/zinc/88/29/27/826882927.db2.gz GPESSXUWNXXOST-RYUDHWBXSA-N 2 1 257.378 -0.102 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001265350752 826883549 /nfs/dbraw/zinc/88/35/49/826883549.db2.gz XCQKCPXNNGHJLS-NEPJUHHUSA-N 2 1 255.362 -0.443 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001265572197 826905409 /nfs/dbraw/zinc/90/54/09/826905409.db2.gz ACNDFEFXFGPUIE-AOOOYVTPSA-N 2 1 256.350 -0.951 20 0 CBADMP CCOCC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001265760829 826915228 /nfs/dbraw/zinc/91/52/28/826915228.db2.gz IBHSMXOOZACHKD-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP CCOCC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001265760829 826915235 /nfs/dbraw/zinc/91/52/35/826915235.db2.gz IBHSMXOOZACHKD-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CCOCCO ZINC001265790661 826919278 /nfs/dbraw/zinc/91/92/78/826919278.db2.gz QERYOEPHVCIKEQ-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCOCCO ZINC001265864750 826930850 /nfs/dbraw/zinc/93/08/50/826930850.db2.gz WJSQDFGMDLNMBQ-NEPJUHHUSA-N 2 1 273.377 -0.959 20 0 CBADMP CCOCC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001265867335 826932597 /nfs/dbraw/zinc/93/25/97/826932597.db2.gz OFTGYCCAHMLZIW-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001265867335 826932600 /nfs/dbraw/zinc/93/26/00/826932600.db2.gz OFTGYCCAHMLZIW-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001266361948 826991228 /nfs/dbraw/zinc/99/12/28/826991228.db2.gz VEMPCVUQPHVYOO-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001266361948 826991230 /nfs/dbraw/zinc/99/12/30/826991230.db2.gz VEMPCVUQPHVYOO-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001266361948 826991233 /nfs/dbraw/zinc/99/12/33/826991233.db2.gz VEMPCVUQPHVYOO-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001266361948 826991236 /nfs/dbraw/zinc/99/12/36/826991236.db2.gz VEMPCVUQPHVYOO-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001266401861 826995230 /nfs/dbraw/zinc/99/52/30/826995230.db2.gz UGZYTTYKSVDLOX-CHWSQXEVSA-N 2 1 285.388 -0.552 20 0 CBADMP COCC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001266401861 826995234 /nfs/dbraw/zinc/99/52/34/826995234.db2.gz UGZYTTYKSVDLOX-CHWSQXEVSA-N 2 1 285.388 -0.552 20 0 CBADMP COCCCC[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266666957 827044189 /nfs/dbraw/zinc/04/41/89/827044189.db2.gz KLBHQDOHOOCCIB-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP COCCCC[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266666957 827044178 /nfs/dbraw/zinc/04/41/78/827044178.db2.gz KLBHQDOHOOCCIB-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001266732090 827058092 /nfs/dbraw/zinc/05/80/92/827058092.db2.gz FLODZXLIFRRROI-LBPRGKRZSA-N 2 1 297.407 -0.656 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC001266853813 827075849 /nfs/dbraw/zinc/07/58/49/827075849.db2.gz UJTCURXVYUIZSF-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CN(CC[NH2+]Cc1cnnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267071336 827112593 /nfs/dbraw/zinc/11/25/93/827112593.db2.gz FKIZMYDKKGSFLN-NSHDSACASA-N 2 1 280.376 -0.685 20 0 CBADMP CN(CC[NH2+]CCc1ccnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267072335 827113137 /nfs/dbraw/zinc/11/31/37/827113137.db2.gz XVGIVBVZWJYVDN-CYBMUJFWSA-N 2 1 293.415 -0.038 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001267275211 827142591 /nfs/dbraw/zinc/14/25/91/827142591.db2.gz UZCPANLFJXKKBB-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP NC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001267306111 827147354 /nfs/dbraw/zinc/14/73/54/827147354.db2.gz RHVHXJUHXZRCEZ-NSHDSACASA-N 2 1 268.361 -0.994 20 0 CBADMP CN(CC[NH2+]CC(N)=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001267384443 827163665 /nfs/dbraw/zinc/16/36/65/827163665.db2.gz UWBWCPMKCSSEQU-UHFFFAOYSA-N 2 1 256.350 -0.996 20 0 CBADMP CN(CC[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001267391543 827165073 /nfs/dbraw/zinc/16/50/73/827165073.db2.gz LIBJEJKAIJBUBT-CYBMUJFWSA-N 2 1 294.403 -0.153 20 0 CBADMP CN(CC[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001267391543 827165075 /nfs/dbraw/zinc/16/50/75/827165075.db2.gz LIBJEJKAIJBUBT-CYBMUJFWSA-N 2 1 294.403 -0.153 20 0 CBADMP COC[C@@H](O)C[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001267402574 827166352 /nfs/dbraw/zinc/16/63/52/827166352.db2.gz GPJYZUJWQDHFFG-LBPRGKRZSA-N 2 1 284.360 -0.753 20 0 CBADMP CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267439666 827172030 /nfs/dbraw/zinc/17/20/30/827172030.db2.gz QVZJLTPTJKUABH-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CN(C)C(=O)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267456103 827173604 /nfs/dbraw/zinc/17/36/04/827173604.db2.gz LNWGSVACFWXJGM-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]C[C@H](C)OC)C1 ZINC001267471259 827175633 /nfs/dbraw/zinc/17/56/33/827175633.db2.gz ANUABFXUOOYLOY-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]C[C@H](C)OC)C1 ZINC001267471259 827175635 /nfs/dbraw/zinc/17/56/35/827175635.db2.gz ANUABFXUOOYLOY-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCO ZINC001267717297 827206415 /nfs/dbraw/zinc/20/64/15/827206415.db2.gz XHHXDECCYUBNIG-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCO ZINC001267717297 827206419 /nfs/dbraw/zinc/20/64/19/827206419.db2.gz XHHXDECCYUBNIG-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001267717297 827206425 /nfs/dbraw/zinc/20/64/25/827206425.db2.gz XHHXDECCYUBNIG-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001267717297 827206427 /nfs/dbraw/zinc/20/64/27/827206427.db2.gz XHHXDECCYUBNIG-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](CCO)C2)CCC1 ZINC001267726158 827207058 /nfs/dbraw/zinc/20/70/58/827207058.db2.gz UCCQOIQLIOWIPK-NSHDSACASA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001267732594 827211625 /nfs/dbraw/zinc/21/16/25/827211625.db2.gz VTKYEYWYVTXTCU-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001267732594 827211633 /nfs/dbraw/zinc/21/16/33/827211633.db2.gz VTKYEYWYVTXTCU-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP COCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267758451 827215310 /nfs/dbraw/zinc/21/53/10/827215310.db2.gz BOIFCUANGOHZQI-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267758451 827215319 /nfs/dbraw/zinc/21/53/19/827215319.db2.gz BOIFCUANGOHZQI-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001267758451 827215329 /nfs/dbraw/zinc/21/53/29/827215329.db2.gz BOIFCUANGOHZQI-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001267758451 827215337 /nfs/dbraw/zinc/21/53/37/827215337.db2.gz BOIFCUANGOHZQI-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001267775934 827217687 /nfs/dbraw/zinc/21/76/87/827217687.db2.gz AJGZQPRMTXOKNJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001267775934 827217694 /nfs/dbraw/zinc/21/76/94/827217694.db2.gz AJGZQPRMTXOKNJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001267768024 827218101 /nfs/dbraw/zinc/21/81/01/827218101.db2.gz LPHXRGQABMSWMT-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCOCCO)C1 ZINC001267768024 827218111 /nfs/dbraw/zinc/21/81/11/827218111.db2.gz LPHXRGQABMSWMT-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCOCCO)C1 ZINC001267768024 827218119 /nfs/dbraw/zinc/21/81/19/827218119.db2.gz LPHXRGQABMSWMT-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@](C)(C[NH2+]CCO)C2CC2)C1 ZINC001267864459 827230566 /nfs/dbraw/zinc/23/05/66/827230566.db2.gz DVQMJUUUZNUIDZ-HIFRSBDPSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@](C)(C[NH2+]CCO)C2CC2)C1 ZINC001267864459 827230573 /nfs/dbraw/zinc/23/05/73/827230573.db2.gz DVQMJUUUZNUIDZ-HIFRSBDPSA-N 2 1 299.415 -0.426 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001267995404 827239290 /nfs/dbraw/zinc/23/92/90/827239290.db2.gz JDLHILKCMPXOCL-SECBINFHSA-N 2 1 267.333 -0.981 20 0 CBADMP C[C@@H](C[NH2+]CCn1cncn1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268099576 827257465 /nfs/dbraw/zinc/25/74/65/827257465.db2.gz GKWYXHLDIUELEM-QWHCGFSZSA-N 2 1 294.403 -0.334 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001268242294 827267343 /nfs/dbraw/zinc/26/73/43/827267343.db2.gz JVRWXMVBKXHSHL-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)CCO)C1 ZINC001268250284 827272007 /nfs/dbraw/zinc/27/20/07/827272007.db2.gz AMKYENVZMWPCBQ-GFCCVEGCSA-N 2 1 257.378 -0.289 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)CCO)C1 ZINC001268250284 827272012 /nfs/dbraw/zinc/27/20/12/827272012.db2.gz AMKYENVZMWPCBQ-GFCCVEGCSA-N 2 1 257.378 -0.289 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)CCO)C1 ZINC001268250284 827272015 /nfs/dbraw/zinc/27/20/15/827272015.db2.gz AMKYENVZMWPCBQ-GFCCVEGCSA-N 2 1 257.378 -0.289 20 0 CBADMP COCCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001268298279 827282639 /nfs/dbraw/zinc/28/26/39/827282639.db2.gz MONHWNZAHUSMTK-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CCC2CC2)C1 ZINC001268333907 827306521 /nfs/dbraw/zinc/30/65/21/827306521.db2.gz ICAFCYGUWPINSD-KGLIPLIRSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CCC2CC2)C1 ZINC001268333907 827306531 /nfs/dbraw/zinc/30/65/31/827306531.db2.gz ICAFCYGUWPINSD-KGLIPLIRSA-N 2 1 299.415 -0.426 20 0 CBADMP CCCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001268333999 827308361 /nfs/dbraw/zinc/30/83/61/827308361.db2.gz IZNWYHZMCIUONJ-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP CCCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001268333999 827308369 /nfs/dbraw/zinc/30/83/69/827308369.db2.gz IZNWYHZMCIUONJ-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC=C(C)C)C1 ZINC001268335066 827308809 /nfs/dbraw/zinc/30/88/09/827308809.db2.gz OKRLDTAAXZOOFD-ZIAGYGMSSA-N 2 1 299.415 -0.260 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC=C(C)C)C1 ZINC001268335066 827308817 /nfs/dbraw/zinc/30/88/17/827308817.db2.gz OKRLDTAAXZOOFD-ZIAGYGMSSA-N 2 1 299.415 -0.260 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CCOC2CCC2)C1 ZINC001268336514 827310045 /nfs/dbraw/zinc/31/00/45/827310045.db2.gz UOWSGZUGWPTKID-CHWSQXEVSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@H](CC[NH2+]CCn1cncn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001268350301 827312466 /nfs/dbraw/zinc/31/24/66/827312466.db2.gz OOAHMOPHZRBGQZ-OLZOCXBDSA-N 2 1 294.403 -0.143 20 0 CBADMP CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268422356 827324330 /nfs/dbraw/zinc/32/43/30/827324330.db2.gz AMAOZEWVSBPTPJ-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP CCN(CC[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268438447 827327520 /nfs/dbraw/zinc/32/75/20/827327520.db2.gz HIFVVADVXXDEMV-ZDUSSCGKSA-N 2 1 294.403 -0.153 20 0 CBADMP CCN(CC[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001268438447 827327527 /nfs/dbraw/zinc/32/75/27/827327527.db2.gz HIFVVADVXXDEMV-ZDUSSCGKSA-N 2 1 294.403 -0.153 20 0 CBADMP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268497225 827342411 /nfs/dbraw/zinc/34/24/11/827342411.db2.gz HMVKGYDTYGTXSZ-LLVKDONJSA-N 2 1 270.377 -0.878 20 0 CBADMP COCCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268519804 827352382 /nfs/dbraw/zinc/35/23/82/827352382.db2.gz GCTVTBSRSGATLM-OOPCZODUSA-N 2 1 285.388 -0.385 20 0 CBADMP COCCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268519804 827352394 /nfs/dbraw/zinc/35/23/94/827352394.db2.gz GCTVTBSRSGATLM-OOPCZODUSA-N 2 1 285.388 -0.385 20 0 CBADMP C[C@@H]([NH2+]C/C=C\CNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001268550915 827362775 /nfs/dbraw/zinc/36/27/75/827362775.db2.gz XADQQHXNZKUFOX-DLRQAJBASA-N 2 1 282.388 -0.394 20 0 CBADMP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001268572567 827366921 /nfs/dbraw/zinc/36/69/21/827366921.db2.gz BPUOUVINAMTKPB-AGFGORMFSA-N 2 1 296.415 -0.181 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)Cn1c[nH+]cc1C ZINC001268568355 827367572 /nfs/dbraw/zinc/36/75/72/827367572.db2.gz RXRZCANVNOMPJP-ZYOFXKKJSA-N 2 1 293.371 -0.412 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001268597388 827375643 /nfs/dbraw/zinc/37/56/43/827375643.db2.gz RYTAPXNGGFPLLW-DSYXLKISSA-N 2 1 296.415 -0.003 20 0 CBADMP C[C@H](C[NH2+]CCn1cncn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268638978 827387871 /nfs/dbraw/zinc/38/78/71/827387871.db2.gz BOURXGDGFQNVKF-VXGBXAGGSA-N 2 1 280.376 -0.533 20 0 CBADMP C[C@H](C[NH2+]CCOCCO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268640177 827388472 /nfs/dbraw/zinc/38/84/72/827388472.db2.gz SBCZYPRUMVCMLE-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCO ZINC001268689033 827403724 /nfs/dbraw/zinc/40/37/24/827403724.db2.gz NPPGRPFEKBGZGE-RYUDHWBXSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@@H](C[N@@H+](C)CCCO)NC(=O)C12CC[NH+](CC1)C2 ZINC001268752498 827419151 /nfs/dbraw/zinc/41/91/51/827419151.db2.gz PEQQQGNGMBBZTE-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)C[NH2+]CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001268809149 827424596 /nfs/dbraw/zinc/42/45/96/827424596.db2.gz YKEDPQHCHCVMQU-UHFFFAOYSA-N 2 1 281.360 -0.624 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268847234 827429677 /nfs/dbraw/zinc/42/96/77/827429677.db2.gz FZWGCLAGFOEJNE-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268946371 827443420 /nfs/dbraw/zinc/44/34/20/827443420.db2.gz NNPIKUUWTQMWFE-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CN(CC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)C(N)=[NH2+] ZINC001268995861 827446641 /nfs/dbraw/zinc/44/66/41/827446641.db2.gz DCMMCYBTMVULCQ-CYBMUJFWSA-N 2 1 267.377 -0.244 20 0 CBADMP CN(CC(=O)N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1)C(N)=[NH2+] ZINC001268997233 827447679 /nfs/dbraw/zinc/44/76/79/827447679.db2.gz XRAASXGUUDFAIZ-PHIMTYICSA-N 2 1 267.377 -0.388 20 0 CBADMP CCOCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001269178035 827471436 /nfs/dbraw/zinc/47/14/36/827471436.db2.gz XANOSJVUPGKBJV-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP CCOCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001269178035 827471442 /nfs/dbraw/zinc/47/14/42/827471442.db2.gz XANOSJVUPGKBJV-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001269332296 827494221 /nfs/dbraw/zinc/49/42/21/827494221.db2.gz PSDNFKVCLYPBOT-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CC[N@@H+]2CCCO)C1 ZINC001269332296 827494226 /nfs/dbraw/zinc/49/42/26/827494226.db2.gz PSDNFKVCLYPBOT-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CC[N@H+]2CCCO)C1 ZINC001269332296 827494231 /nfs/dbraw/zinc/49/42/31/827494231.db2.gz PSDNFKVCLYPBOT-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCF ZINC001269384218 827501893 /nfs/dbraw/zinc/50/18/93/827501893.db2.gz PPRQDSJXHVUNLI-MNOVXSKESA-N 2 1 261.341 -0.229 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCF ZINC001269384218 827501898 /nfs/dbraw/zinc/50/18/98/827501898.db2.gz PPRQDSJXHVUNLI-MNOVXSKESA-N 2 1 261.341 -0.229 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCO)C1 ZINC001270187282 827552454 /nfs/dbraw/zinc/55/24/54/827552454.db2.gz HSKIUFIWRIQMGK-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CCC[C@@H]1C[NH2+]CCCO ZINC001270281568 827556442 /nfs/dbraw/zinc/55/64/42/827556442.db2.gz PQDYPCXXXLBARK-CQSZACIVSA-N 2 1 299.415 -0.328 20 0 CBADMP COCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001270928093 827607490 /nfs/dbraw/zinc/60/74/90/827607490.db2.gz AKIJXJUSWBJKNQ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP COCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001270928093 827607493 /nfs/dbraw/zinc/60/74/93/827607493.db2.gz AKIJXJUSWBJKNQ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP C[N@@H+]1CCC12CN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C2 ZINC001271053928 827618837 /nfs/dbraw/zinc/61/88/37/827618837.db2.gz PTKGATMYSWARFA-UHFFFAOYSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@H+]1CCC12CN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C2 ZINC001271053928 827618841 /nfs/dbraw/zinc/61/88/41/827618841.db2.gz PTKGATMYSWARFA-UHFFFAOYSA-N 2 1 294.399 -0.510 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001271183187 827675126 /nfs/dbraw/zinc/67/51/26/827675126.db2.gz XLACQCDHQHTLNH-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CC(C)C[NH+]1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001271350400 827694041 /nfs/dbraw/zinc/69/40/41/827694041.db2.gz ODRIUBITPYRGDR-UHFFFAOYSA-N 2 1 257.378 -0.243 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](C)C3)C[C@@H](C1)O2 ZINC001271521547 827707615 /nfs/dbraw/zinc/70/76/15/827707615.db2.gz XPJZGDXCIJSHCQ-RWMBFGLXSA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+](C)C3)C[C@@H](C1)O2 ZINC001271521547 827707620 /nfs/dbraw/zinc/70/76/20/827707620.db2.gz XPJZGDXCIJSHCQ-RWMBFGLXSA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)C1 ZINC001271521547 827707626 /nfs/dbraw/zinc/70/76/26/827707626.db2.gz XPJZGDXCIJSHCQ-RWMBFGLXSA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)C1 ZINC001271521547 827707627 /nfs/dbraw/zinc/70/76/27/827707627.db2.gz XPJZGDXCIJSHCQ-RWMBFGLXSA-N 2 1 267.373 -0.130 20 0 CBADMP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H](C1)O2 ZINC001271939001 827736816 /nfs/dbraw/zinc/73/68/16/827736816.db2.gz DBMVNIRBFFVRIA-HZSPNIEDSA-N 2 1 279.384 -0.130 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H](C1)O2 ZINC001271939001 827736820 /nfs/dbraw/zinc/73/68/20/827736820.db2.gz DBMVNIRBFFVRIA-HZSPNIEDSA-N 2 1 279.384 -0.130 20 0 CBADMP C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)CC2 ZINC001272273618 827776020 /nfs/dbraw/zinc/77/60/20/827776020.db2.gz SNXWQPWYBLZJRF-RYUDHWBXSA-N 2 1 267.373 -0.394 20 0 CBADMP CC[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272437507 827797224 /nfs/dbraw/zinc/79/72/24/827797224.db2.gz KCLUTRIYIQGENP-CYBMUJFWSA-N 2 1 255.362 -0.129 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]C/C=C/Cl ZINC001272496195 827807306 /nfs/dbraw/zinc/80/73/06/827807306.db2.gz MRTDHLSRIKQGEE-UQRCUPDISA-N 2 1 275.780 -0.100 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](C)C2 ZINC001272555081 827820136 /nfs/dbraw/zinc/82/01/36/827820136.db2.gz KKILAQLMGCQHIO-LBPRGKRZSA-N 2 1 266.389 -0.604 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@H+](C)C2 ZINC001272555081 827820141 /nfs/dbraw/zinc/82/01/41/827820141.db2.gz KKILAQLMGCQHIO-LBPRGKRZSA-N 2 1 266.389 -0.604 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C)C2 ZINC001272555081 827820152 /nfs/dbraw/zinc/82/01/52/827820152.db2.gz KKILAQLMGCQHIO-LBPRGKRZSA-N 2 1 266.389 -0.604 20 0 CBADMP C[C@@H](CC[NH2+]CCCO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001272704940 827835130 /nfs/dbraw/zinc/83/51/30/827835130.db2.gz XFCWYULNKZIIPM-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@@H](CC[NH2+]CCCO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001272704940 827835141 /nfs/dbraw/zinc/83/51/41/827835141.db2.gz XFCWYULNKZIIPM-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP C[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](O)C3)C2)C1 ZINC001273068806 827861925 /nfs/dbraw/zinc/86/19/25/827861925.db2.gz CAKCPPJRGAWNTH-NSHDSACASA-N 2 1 253.346 -0.783 20 0 CBADMP C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)C1 ZINC001273068806 827861932 /nfs/dbraw/zinc/86/19/32/827861932.db2.gz CAKCPPJRGAWNTH-NSHDSACASA-N 2 1 253.346 -0.783 20 0 CBADMP C[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)C1 ZINC001273068806 827861934 /nfs/dbraw/zinc/86/19/34/827861934.db2.gz CAKCPPJRGAWNTH-NSHDSACASA-N 2 1 253.346 -0.783 20 0 CBADMP CCCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273175946 827870134 /nfs/dbraw/zinc/87/01/34/827870134.db2.gz MVHHXPIMVWLWTI-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CCCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273175949 827871749 /nfs/dbraw/zinc/87/17/49/827871749.db2.gz MVHHXPIMVWLWTI-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001273201324 827872815 /nfs/dbraw/zinc/87/28/15/827872815.db2.gz LKCHQUMPKFZIIT-RYUDHWBXSA-N 2 1 269.389 -0.053 20 0 CBADMP CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001273298489 827887686 /nfs/dbraw/zinc/88/76/86/827887686.db2.gz QRYXFECXYXGWMP-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001273300625 827887931 /nfs/dbraw/zinc/88/79/31/827887931.db2.gz MLHLLAUGMASPTP-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+]1CCN(C(=O)CN2CCC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273364009 827893808 /nfs/dbraw/zinc/89/38/08/827893808.db2.gz UFJNLFAOQFABPB-OAHLLOKOSA-N 2 1 294.399 -0.495 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC1)C2 ZINC001273366827 827894989 /nfs/dbraw/zinc/89/49/89/827894989.db2.gz LNDKBUMMOAEAEW-KGLIPLIRSA-N 2 1 280.416 -0.214 20 0 CBADMP COCC[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273506284 827905185 /nfs/dbraw/zinc/90/51/85/827905185.db2.gz NGRFRMHEQNRWIJ-AWEZNQCLSA-N 2 1 285.388 -0.502 20 0 CBADMP COCC[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273506026 827905736 /nfs/dbraw/zinc/90/57/36/827905736.db2.gz KUPPLDWGEJPDML-HNNXBMFYSA-N 2 1 299.415 -0.255 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273699066 827919521 /nfs/dbraw/zinc/91/95/21/827919521.db2.gz HYQCFYXDVCQONP-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273703009 827920020 /nfs/dbraw/zinc/92/00/20/827920020.db2.gz ASVRAKUJNFJGDI-JHJVBQTASA-N 2 1 296.415 -0.123 20 0 CBADMP COC(C)(C)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273808939 827927564 /nfs/dbraw/zinc/92/75/64/827927564.db2.gz MNQMWOPMAUBEMB-UHFFFAOYSA-N 2 1 299.415 -0.114 20 0 CBADMP CC(C)[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273894343 827938987 /nfs/dbraw/zinc/93/89/87/827938987.db2.gz KAKFLTXBWDJXSJ-ZDUSSCGKSA-N 2 1 299.415 -0.522 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274047653 827955988 /nfs/dbraw/zinc/95/59/88/827955988.db2.gz SBIOOAFNASIYJC-JSGCOSHPSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274047911 827958205 /nfs/dbraw/zinc/95/82/05/827958205.db2.gz VNFSWHPOMZBZRE-JSGCOSHPSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](C)CCN1C(=O)COCC12C[NH+](CC(C)(C)CO)C2 ZINC001274055499 827961307 /nfs/dbraw/zinc/96/13/07/827961307.db2.gz KQFBXAGMXHBJLE-UHFFFAOYSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](C)CCNC(=O)[C@@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001274062721 827963332 /nfs/dbraw/zinc/96/33/32/827963332.db2.gz VZIXURJQHHQYEG-NSHDSACASA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@H](CO)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274069015 827964834 /nfs/dbraw/zinc/96/48/34/827964834.db2.gz RSRXMHZBENVSKX-DZGCQCFKSA-N 2 1 299.415 -0.520 20 0 CBADMP CNC(=O)C[N@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001274074612 827966989 /nfs/dbraw/zinc/96/69/89/827966989.db2.gz YMBWUUHKALFDSV-HNNXBMFYSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001274262827 827979365 /nfs/dbraw/zinc/97/93/65/827979365.db2.gz IQVZDDNPBFUQSR-MJKAUQOVSA-N 2 1 268.361 -0.784 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001274843059 828033969 /nfs/dbraw/zinc/03/39/69/828033969.db2.gz HEHOBLJBLJFNFR-SCZZXKLOSA-N 2 1 267.333 -0.840 20 0 CBADMP CCOC(=O)CC[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001274932755 828044281 /nfs/dbraw/zinc/04/42/81/828044281.db2.gz CEBTWLFGFZLUSU-OKILXGFUSA-N 2 1 299.415 -0.114 20 0 CBADMP COC(=O)CCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001275158988 828062144 /nfs/dbraw/zinc/06/21/44/828062144.db2.gz VPHBRQXIBPBELJ-OKILXGFUSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](C[C@@H]3CCC(=O)N3)C[C@H]21 ZINC001275188980 828064566 /nfs/dbraw/zinc/06/45/66/828064566.db2.gz RMEXECYRPCYHDS-MJBXVCDLSA-N 2 1 296.415 -0.788 20 0 CBADMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2C[C@@H]1CCC(=O)N1 ZINC001275186911 828064899 /nfs/dbraw/zinc/06/48/99/828064899.db2.gz FKIAKJLMRAOTOO-IHRRRGAJSA-N 2 1 280.416 -0.025 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]CCO)C2)C1 ZINC001275324041 828078135 /nfs/dbraw/zinc/07/81/35/828078135.db2.gz PWVSSTOLSNWQSI-CXQJBGSLSA-N 2 1 255.362 -0.585 20 0 CBADMP C[C@@H](C[NH2+]CCn1cncn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001275309655 828078179 /nfs/dbraw/zinc/07/81/79/828078179.db2.gz GUIHWJUTEDBHDP-OLZOCXBDSA-N 2 1 294.403 -0.286 20 0 CBADMP C[C@@H](CNC(=O)Cc1ncc[nH]1)[N@@H+](C)CCCO ZINC001275963951 828126606 /nfs/dbraw/zinc/12/66/06/828126606.db2.gz WMGBNWWAPXKXLD-JTQLQIEISA-N 2 1 254.334 -0.229 20 0 CBADMP C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC001276076301 828133368 /nfs/dbraw/zinc/13/33/68/828133368.db2.gz NATFOGQUYKJRND-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001276379688 828143618 /nfs/dbraw/zinc/14/36/18/828143618.db2.gz OZLAUHHHNQFHAA-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC3(C)COC3)C[C@@H]21 ZINC001276422749 828145580 /nfs/dbraw/zinc/14/55/80/828145580.db2.gz XXIBUHYZGWQSLS-KBPBESRZSA-N 2 1 283.416 -0.031 20 0 CBADMP COC(C[NH+]1CC2(CCN2CC[NH+](C)C)C1)OC ZINC001276643482 828153765 /nfs/dbraw/zinc/15/37/65/828153765.db2.gz NVSZMHAXUORINH-UHFFFAOYSA-N 2 1 257.378 -0.073 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[NH+](C)C ZINC001276689233 828155802 /nfs/dbraw/zinc/15/58/02/828155802.db2.gz BAFKADAIUIQKNK-FVCCEPFGSA-N 2 1 269.389 -0.387 20 0 CBADMP COCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001276821115 828161985 /nfs/dbraw/zinc/16/19/85/828161985.db2.gz FTDDDOXIPMATRK-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001276821115 828161989 /nfs/dbraw/zinc/16/19/89/828161989.db2.gz FTDDDOXIPMATRK-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001276821115 828161991 /nfs/dbraw/zinc/16/19/91/828161991.db2.gz FTDDDOXIPMATRK-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001276821115 828161996 /nfs/dbraw/zinc/16/19/96/828161996.db2.gz FTDDDOXIPMATRK-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001276940053 828167317 /nfs/dbraw/zinc/16/73/17/828167317.db2.gz JSVRMFIKYLYYET-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP COCCC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001276940053 828167322 /nfs/dbraw/zinc/16/73/22/828167322.db2.gz JSVRMFIKYLYYET-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCCO)[NH+](C)C ZINC001276956927 828169245 /nfs/dbraw/zinc/16/92/45/828169245.db2.gz PRNNXRNYSRITGW-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CCCO)[NH+](C)C ZINC001276956927 828169251 /nfs/dbraw/zinc/16/92/51/828169251.db2.gz PRNNXRNYSRITGW-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP COCCCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001277028730 828173474 /nfs/dbraw/zinc/17/34/74/828173474.db2.gz YQSLENUUFWPEBF-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP COCCCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001277028730 828173476 /nfs/dbraw/zinc/17/34/76/828173476.db2.gz YQSLENUUFWPEBF-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](C[C@H]3COCCO3)[C@@H]2C1 ZINC001277526409 828192907 /nfs/dbraw/zinc/19/29/07/828192907.db2.gz DCIFLUDTRWCBHQ-SOUVJXGZSA-N 2 1 283.416 -0.031 20 0 CBADMP C[NH+]1CCC(C[N@@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)CC1 ZINC001277799025 828209432 /nfs/dbraw/zinc/20/94/32/828209432.db2.gz SVRAFUDTPJQTKV-WDEREUQCSA-N 2 1 266.345 -0.500 20 0 CBADMP NC(=O)C[C@H]1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]2O1 ZINC001277821081 828212186 /nfs/dbraw/zinc/21/21/86/828212186.db2.gz COMGPMAKIPUDRA-UPJWGTAASA-N 2 1 267.373 -0.049 20 0 CBADMP CC(=O)NCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277910706 828218102 /nfs/dbraw/zinc/21/81/02/828218102.db2.gz UUCAZXWFXVINCR-KGLIPLIRSA-N 2 1 284.404 -0.931 20 0 CBADMP CC(=O)NCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277910706 828218104 /nfs/dbraw/zinc/21/81/04/828218104.db2.gz UUCAZXWFXVINCR-KGLIPLIRSA-N 2 1 284.404 -0.931 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277961035 828224130 /nfs/dbraw/zinc/22/41/30/828224130.db2.gz PZJDDUXAZNFNES-UPJWGTAASA-N 2 1 257.378 -0.686 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277961033 828224151 /nfs/dbraw/zinc/22/41/51/828224151.db2.gz PZJDDUXAZNFNES-AGIUHOORSA-N 2 1 257.378 -0.686 20 0 CBADMP C[C@H](CO)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277999057 828229628 /nfs/dbraw/zinc/22/96/28/828229628.db2.gz XZWSLSNMRCEGRX-MJBXVCDLSA-N 2 1 271.405 -0.439 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001278032191 828232662 /nfs/dbraw/zinc/23/26/62/828232662.db2.gz JCVIKSKOGLDYQW-AGIUHOORSA-N 2 1 268.405 -0.040 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CCF)C1 ZINC001278155296 828252579 /nfs/dbraw/zinc/25/25/79/828252579.db2.gz OXRYGKLXFYZOEW-MNOVXSKESA-N 2 1 261.341 -0.636 20 0 CBADMP CC(C)[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001278179660 828256556 /nfs/dbraw/zinc/25/65/56/828256556.db2.gz SVNQJSZBVUOSNN-RYUDHWBXSA-N 2 1 257.378 -0.197 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CCO)C1 ZINC001278468985 828271446 /nfs/dbraw/zinc/27/14/46/828271446.db2.gz GGEPKHHMUOGHRG-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1CCO ZINC001278520905 828272818 /nfs/dbraw/zinc/27/28/18/828272818.db2.gz KDHURKOMLAVZHO-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1CCO ZINC001278520906 828272888 /nfs/dbraw/zinc/27/28/88/828272888.db2.gz KDHURKOMLAVZHO-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP COCCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278766722 828285478 /nfs/dbraw/zinc/28/54/78/828285478.db2.gz MJNICGMCVOKHTG-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP COCCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001278766722 828285487 /nfs/dbraw/zinc/28/54/87/828285487.db2.gz MJNICGMCVOKHTG-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP COCCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001278766722 828285493 /nfs/dbraw/zinc/28/54/93/828285493.db2.gz MJNICGMCVOKHTG-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP COCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001278790649 828289842 /nfs/dbraw/zinc/28/98/42/828289842.db2.gz HECIPQVFZKDGCS-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001278804309 828291558 /nfs/dbraw/zinc/29/15/58/828291558.db2.gz PZCBNIMAYAXBNZ-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001278823347 828293490 /nfs/dbraw/zinc/29/34/90/828293490.db2.gz YMJOEWIJJLWECC-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001278823347 828293492 /nfs/dbraw/zinc/29/34/92/828293492.db2.gz YMJOEWIJJLWECC-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001278823347 828293497 /nfs/dbraw/zinc/29/34/97/828293497.db2.gz YMJOEWIJJLWECC-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP CC[NH2+]CCOCCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001279457288 828325955 /nfs/dbraw/zinc/32/59/55/828325955.db2.gz GHKKLTMBTNQFTA-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH2+]CCOCCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001279457288 828325962 /nfs/dbraw/zinc/32/59/62/828325962.db2.gz GHKKLTMBTNQFTA-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+](CC)CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001348416453 890621408 /nfs/dbraw/zinc/62/14/08/890621408.db2.gz XFBRWBVGMLNGHX-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001348649019 890676029 /nfs/dbraw/zinc/67/60/29/890676029.db2.gz UWLRQDGDBRVDAO-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCCCC[NH3+])C1 ZINC001350215596 890949309 /nfs/dbraw/zinc/94/93/09/890949309.db2.gz VFBIHLXIKOHKIO-NSHDSACASA-N 2 1 272.393 -0.130 20 0 CBADMP CSCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000131110258 884559429 /nfs/dbraw/zinc/55/94/29/884559429.db2.gz GWHQEZIJDSAPPF-GFCCVEGCSA-N 2 1 288.461 -0.180 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378379 884777694 /nfs/dbraw/zinc/77/76/94/884777694.db2.gz OKAZSZDRQZEGDB-YNEHKIRRSA-N 2 1 287.404 -0.212 20 0 CBADMP [NH3+][C@@H](CC(F)F)C(=O)NCC[N@@H+]1CCCOCC1 ZINC001326037230 884884502 /nfs/dbraw/zinc/88/45/02/884884502.db2.gz FJSOLAPINNFDPK-VIFPVBQESA-N 2 1 265.304 -0.193 20 0 CBADMP [NH3+][C@@H](CC(F)F)C(=O)NCC[N@H+]1CCCOCC1 ZINC001326037230 884884509 /nfs/dbraw/zinc/88/45/09/884884509.db2.gz FJSOLAPINNFDPK-VIFPVBQESA-N 2 1 265.304 -0.193 20 0 CBADMP C[NH2+]C[C@@](C)(O)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001326487304 885046835 /nfs/dbraw/zinc/04/68/35/885046835.db2.gz LLQMYIJLCNXCEJ-HUUCEWRRSA-N 2 1 284.448 -0.331 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001327578626 885413142 /nfs/dbraw/zinc/41/31/42/885413142.db2.gz ITURJCAWJOVXLG-UWVGGRQHSA-N 2 1 251.334 -0.499 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)c1cnn(C)c1 ZINC001328504657 885708607 /nfs/dbraw/zinc/70/86/07/885708607.db2.gz QJMSSBOWMALLRW-GARJFASQSA-N 2 1 269.324 -0.503 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCNC(=O)C2)C1 ZINC001329801209 886211510 /nfs/dbraw/zinc/21/15/10/886211510.db2.gz SPEFMSBUEGHZJV-NSHDSACASA-N 2 1 268.361 -0.994 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001331689822 886911458 /nfs/dbraw/zinc/91/14/58/886911458.db2.gz OGJBSXXGWJNGIF-SRVKXCTJSA-N 2 1 255.362 -0.097 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332520985 887335054 /nfs/dbraw/zinc/33/50/54/887335054.db2.gz NRVDMRPZWHYRCV-SRVKXCTJSA-N 2 1 269.393 -0.731 20 0 CBADMP OCC[NH+]1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC001334762102 888314643 /nfs/dbraw/zinc/31/46/43/888314643.db2.gz FDZKRAUBHIQCLC-KGLIPLIRSA-N 2 1 269.389 -0.635 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NCCCC[NH3+])C1 ZINC001335234495 888461106 /nfs/dbraw/zinc/46/11/06/888461106.db2.gz LIWYVJCPMATOJR-UHFFFAOYSA-N 2 1 284.404 -0.310 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001335845876 888645578 /nfs/dbraw/zinc/64/55/78/888645578.db2.gz WVKRASBHBRNCRS-RWMBFGLXSA-N 2 1 266.389 -0.652 20 0 CBADMP C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC001335933781 888655280 /nfs/dbraw/zinc/65/52/80/888655280.db2.gz MALNVDJUIOAYDE-AGIUHOORSA-N 2 1 258.362 -0.570 20 0 CBADMP O[C@@H]1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H]1O ZINC001336279045 888735165 /nfs/dbraw/zinc/73/51/65/888735165.db2.gz YXEIHHRUGXQMMY-RNJOBUHISA-N 2 1 256.346 -0.818 20 0 CBADMP COCCOC[C@@H](O)C[NH2+][C@H]1CCn2c[nH+]cc2C1 ZINC001338534299 889173643 /nfs/dbraw/zinc/17/36/43/889173643.db2.gz FFPSANCRGGJCNM-AAEUAGOBSA-N 2 1 269.345 -0.189 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CC(C)(C)C[NH3+] ZINC001340486476 889438992 /nfs/dbraw/zinc/43/89/92/889438992.db2.gz UQAGSMDDJVGJHF-NEPJUHHUSA-N 2 1 268.405 -0.182 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](O)C[NH3+])CC2 ZINC001340643844 889459660 /nfs/dbraw/zinc/45/96/60/889459660.db2.gz JYFXGMLTEZHORT-MWLCHTKSSA-N 2 1 252.318 -0.810 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001340737069 889477115 /nfs/dbraw/zinc/47/71/15/889477115.db2.gz YJQCBTCSUHIRDR-WRWGMCAJSA-N 2 1 252.362 -0.759 20 0 CBADMP C[C@H](C(=O)N1NC(=O)CC12CC[NH2+]CC2)[NH+](C)C ZINC001341153916 889551948 /nfs/dbraw/zinc/55/19/48/889551948.db2.gz FLVSZVQFLUUSBQ-SECBINFHSA-N 2 1 254.334 -0.678 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001341530095 889616733 /nfs/dbraw/zinc/61/67/33/889616733.db2.gz SGBJAHUIZMLJJE-FIQHERPVSA-N 2 1 252.362 -0.772 20 0 CBADMP C[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001341635182 889638108 /nfs/dbraw/zinc/63/81/08/889638108.db2.gz UOIHSOCWEJHQOH-YPMHNXCESA-N 2 1 253.346 -0.614 20 0 CBADMP CC[C@@H]([NH3+])C(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001341781266 889664108 /nfs/dbraw/zinc/66/41/08/889664108.db2.gz QCUPBYZJASWCNY-RNCFNFMXSA-N 2 1 263.345 -0.280 20 0 CBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)CNCC[NH3+])C[C@H](C)O1 ZINC001341830631 889667567 /nfs/dbraw/zinc/66/75/67/889667567.db2.gz GJMLSFPRWASQSR-TXEJJXNPSA-N 2 1 272.393 -0.898 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)CNCC[NH3+])C[C@H](C)O1 ZINC001341830631 889667585 /nfs/dbraw/zinc/66/75/85/889667585.db2.gz GJMLSFPRWASQSR-TXEJJXNPSA-N 2 1 272.393 -0.898 20 0 CBADMP C[C@@H](C[NH3+])C(=O)NCCCCC[NH+]1CCNCC1 ZINC001341823756 889668448 /nfs/dbraw/zinc/66/84/48/889668448.db2.gz RIPQSWZJVHJUMY-LBPRGKRZSA-N 2 1 256.394 -0.227 20 0 CBADMP CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001341922250 889684015 /nfs/dbraw/zinc/68/40/15/889684015.db2.gz AHVBAAYMGCNAFB-SDDRHHMPSA-N 2 1 255.362 -0.219 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001443810839 912277065 /nfs/dbraw/zinc/27/70/65/912277065.db2.gz GAUUZAGZEKJVFR-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001443810839 912277087 /nfs/dbraw/zinc/27/70/87/912277087.db2.gz GAUUZAGZEKJVFR-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001443825873 912284325 /nfs/dbraw/zinc/28/43/25/912284325.db2.gz VXUMLSGZGPAUKG-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001443825873 912284341 /nfs/dbraw/zinc/28/43/41/912284341.db2.gz VXUMLSGZGPAUKG-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001443836699 912285527 /nfs/dbraw/zinc/28/55/27/912285527.db2.gz VUMQUFUNARLTFV-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001443836699 912285545 /nfs/dbraw/zinc/28/55/45/912285545.db2.gz VUMQUFUNARLTFV-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001443836699 912285562 /nfs/dbraw/zinc/28/55/62/912285562.db2.gz VUMQUFUNARLTFV-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001443836699 912285581 /nfs/dbraw/zinc/28/55/81/912285581.db2.gz VUMQUFUNARLTFV-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001443825875 912285897 /nfs/dbraw/zinc/28/58/97/912285897.db2.gz VXUMLSGZGPAUKG-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001443825875 912285912 /nfs/dbraw/zinc/28/59/12/912285912.db2.gz VXUMLSGZGPAUKG-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001342156279 889723335 /nfs/dbraw/zinc/72/33/35/889723335.db2.gz NEVZIQTUYJUBBN-GFCCVEGCSA-N 2 1 256.394 -0.325 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001342156279 889723347 /nfs/dbraw/zinc/72/33/47/889723347.db2.gz NEVZIQTUYJUBBN-GFCCVEGCSA-N 2 1 256.394 -0.325 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001443836304 912287413 /nfs/dbraw/zinc/28/74/13/912287413.db2.gz KWTFDWXZUFHPHG-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001443836304 912287432 /nfs/dbraw/zinc/28/74/32/912287432.db2.gz KWTFDWXZUFHPHG-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001443836304 912287457 /nfs/dbraw/zinc/28/74/57/912287457.db2.gz KWTFDWXZUFHPHG-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001443836304 912287476 /nfs/dbraw/zinc/28/74/76/912287476.db2.gz KWTFDWXZUFHPHG-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001443825874 912288151 /nfs/dbraw/zinc/28/81/51/912288151.db2.gz VXUMLSGZGPAUKG-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001443825874 912288169 /nfs/dbraw/zinc/28/81/69/912288169.db2.gz VXUMLSGZGPAUKG-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]CC(=O)NC ZINC001444044343 912334031 /nfs/dbraw/zinc/33/40/31/912334031.db2.gz SBXWZNJDMPLHDZ-NSHDSACASA-N 2 1 281.360 -0.578 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cnn(C)c1 ZINC001342650822 889810480 /nfs/dbraw/zinc/81/04/80/889810480.db2.gz UYQFSTZYMLILOL-JLLWLGSASA-N 2 1 265.361 -0.111 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2[NH2+]CC23CCOCC3)CC[N@H+]1C ZINC001342649976 889811230 /nfs/dbraw/zinc/81/12/30/889811230.db2.gz QDCCAYNMGLEBCR-GRYCIOLGSA-N 2 1 267.373 -0.036 20 0 CBADMP CN1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC[N@@H+](C)CC1 ZINC001342915150 889844832 /nfs/dbraw/zinc/84/48/32/889844832.db2.gz VOUSFAFCODSXDM-STQMWFEESA-N 2 1 284.404 -0.944 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001343391700 889898801 /nfs/dbraw/zinc/89/88/01/889898801.db2.gz LPVMZXBHTNFKIK-NTZNESFSSA-N 2 1 255.362 -0.443 20 0 CBADMP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001343474678 889916224 /nfs/dbraw/zinc/91/62/24/889916224.db2.gz XLVFXGKPVHQWRV-RNJOBUHISA-N 2 1 267.373 -0.219 20 0 CBADMP CC[NH2+][C@H](C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001343489044 889920925 /nfs/dbraw/zinc/92/09/25/889920925.db2.gz IWUQSTXEMCZBRW-TUAOUCFPSA-N 2 1 256.394 -0.265 20 0 CBADMP C[NH2+]C1(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CCC1 ZINC001343582221 889934798 /nfs/dbraw/zinc/93/47/98/889934798.db2.gz JJMZWSRNNRYWOV-RYUDHWBXSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@@H](NC(=O)CC1(C[NH3+])CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001343582123 889936478 /nfs/dbraw/zinc/93/64/78/889936478.db2.gz ISRQLIKHBSDCGQ-NEPJUHHUSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H](NC(=O)CC1(C[NH3+])CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001343582123 889936493 /nfs/dbraw/zinc/93/64/93/889936493.db2.gz ISRQLIKHBSDCGQ-NEPJUHHUSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H](NC(=O)CC1(C[NH3+])CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001343582123 889936506 /nfs/dbraw/zinc/93/65/06/889936506.db2.gz ISRQLIKHBSDCGQ-NEPJUHHUSA-N 2 1 268.405 -0.134 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001444313124 912424193 /nfs/dbraw/zinc/42/41/93/912424193.db2.gz YDTIPZWMZKSQNH-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C[NH2+]CC(N)=O ZINC001444377283 912438878 /nfs/dbraw/zinc/43/88/78/912438878.db2.gz OZUZHSVNRSCUNF-MNOVXSKESA-N 2 1 270.377 -0.845 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cnn(C)n1 ZINC001444411448 912443277 /nfs/dbraw/zinc/44/32/77/912443277.db2.gz VIYNJMQGNFWTGR-RYUDHWBXSA-N 2 1 294.403 -0.391 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001444409073 912444835 /nfs/dbraw/zinc/44/48/35/912444835.db2.gz OGXCHVNXBLFYRV-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ncnn1C ZINC001444427329 912446756 /nfs/dbraw/zinc/44/67/56/912446756.db2.gz AYRVVSNBNZPTJH-LBPRGKRZSA-N 2 1 296.419 -0.003 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001444717462 912498517 /nfs/dbraw/zinc/49/85/17/912498517.db2.gz HRENLEFYXHKFND-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC001345185521 890110931 /nfs/dbraw/zinc/11/09/31/890110931.db2.gz WKUWYLIFRSRGQG-OLZOCXBDSA-N 2 1 269.345 -0.316 20 0 CBADMP CCNC(=O)CN(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001444984508 912530460 /nfs/dbraw/zinc/53/04/60/912530460.db2.gz ASMSLESTIPZOCW-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001444996226 912538763 /nfs/dbraw/zinc/53/87/63/912538763.db2.gz UJTLBXIKZKNDGP-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001444996226 912538773 /nfs/dbraw/zinc/53/87/73/912538773.db2.gz UJTLBXIKZKNDGP-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)CC[NH+](C)C ZINC001445024514 912546812 /nfs/dbraw/zinc/54/68/12/912546812.db2.gz CHPFQBDBDYUCPC-UHFFFAOYSA-N 2 1 299.419 -0.647 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001445070949 912550141 /nfs/dbraw/zinc/55/01/41/912550141.db2.gz JIUSEGUWUYNRAP-CYBMUJFWSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@H](O)C[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001445089870 912557732 /nfs/dbraw/zinc/55/77/32/912557732.db2.gz YCLFGVNBKZKSDG-CYBMUJFWSA-N 2 1 298.387 -0.411 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001445089870 912557748 /nfs/dbraw/zinc/55/77/48/912557748.db2.gz YCLFGVNBKZKSDG-CYBMUJFWSA-N 2 1 298.387 -0.411 20 0 CBADMP [NH3+]CCOCC[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC001346113666 890218997 /nfs/dbraw/zinc/21/89/97/890218997.db2.gz NWVFUFUBDQBUQT-UHFFFAOYSA-N 2 1 284.404 -0.798 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@H](N)CC[NH+](C)C ZINC001346320955 890267727 /nfs/dbraw/zinc/26/77/27/890267727.db2.gz RSJFZQGAIVALCC-LLVKDONJSA-N 2 1 253.350 -0.413 20 0 CBADMP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001445268552 912622402 /nfs/dbraw/zinc/62/24/02/912622402.db2.gz JFKBJTBNWXAHJT-NEPJUHHUSA-N 2 1 296.371 -0.499 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001445386689 912650604 /nfs/dbraw/zinc/65/06/04/912650604.db2.gz VDRLNZPDCOEMID-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[N@H+](C)C1CCC1 ZINC001445387069 912652599 /nfs/dbraw/zinc/65/25/99/912652599.db2.gz CURGZFWNQHPMIO-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001445387069 912652605 /nfs/dbraw/zinc/65/26/05/912652605.db2.gz CURGZFWNQHPMIO-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001445599297 912707143 /nfs/dbraw/zinc/70/71/43/912707143.db2.gz MLYZJXHCNHUVAS-BJDJZHNGSA-N 2 1 284.404 -0.315 20 0 CBADMP Cn1cnnc1C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001445971368 912790562 /nfs/dbraw/zinc/79/05/62/912790562.db2.gz RNPXIMYJFBKRDV-GFCCVEGCSA-N 2 1 294.403 -0.249 20 0 CBADMP C[NH+](C)CCn1nccc1C(=O)N1CC[N@@H+]2CC[C@H]1C2 ZINC000908538032 884596248 /nfs/dbraw/zinc/59/62/48/884596248.db2.gz QOQKYXFCKWGZJX-LBPRGKRZSA-N 2 1 277.372 -0.025 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC(=O)NC)CC1 ZINC001446256535 912847621 /nfs/dbraw/zinc/84/76/21/912847621.db2.gz DUWPEUMKZYEDJK-UHFFFAOYSA-N 2 1 270.377 -0.687 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001152426479 884677105 /nfs/dbraw/zinc/67/71/05/884677105.db2.gz JKVUEXPCGZQBDO-NSHDSACASA-N 2 1 270.377 -0.689 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188158287 884720129 /nfs/dbraw/zinc/72/01/29/884720129.db2.gz KFJIYWAIMIZHCL-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CCC[C@@H]1C[NH3+] ZINC001206012754 884754007 /nfs/dbraw/zinc/75/40/07/884754007.db2.gz NLNAIGZITNQOOI-NWDGAFQWSA-N 2 1 294.399 -0.109 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001446299309 912860014 /nfs/dbraw/zinc/86/00/14/912860014.db2.gz OPCROUUFBGNMMI-NSHDSACASA-N 2 1 282.388 -0.547 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001210811969 884765453 /nfs/dbraw/zinc/76/54/53/884765453.db2.gz SEUGBQKYSMJNPY-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378121 884778029 /nfs/dbraw/zinc/77/80/29/884778029.db2.gz DONLFYLZTIHAJA-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP C[NH2+]CCC(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796268 884792271 /nfs/dbraw/zinc/79/22/71/884792271.db2.gz UBGSXKIXAPQDJC-UHFFFAOYSA-N 2 1 268.405 -0.072 20 0 CBADMP [NH3+]CCC[C@@H]([NH3+])C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219793172 884792051 /nfs/dbraw/zinc/79/20/51/884792051.db2.gz AYTCTCJXCGFERM-CQSZACIVSA-N 3 1 297.447 -0.615 20 0 CBADMP C[C@@H]([NH3+])C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC001326037291 884882794 /nfs/dbraw/zinc/88/27/94/884882794.db2.gz IISQETDLOABUBW-SECBINFHSA-N 2 1 251.334 -0.148 20 0 CBADMP NC(=O)C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001326277487 884968030 /nfs/dbraw/zinc/96/80/30/884968030.db2.gz MLWMUEUMWFKIIF-LLVKDONJSA-N 2 1 268.361 -0.994 20 0 CBADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001326311483 884984490 /nfs/dbraw/zinc/98/44/90/884984490.db2.gz ZWSAXYFZPLUFHJ-GFCCVEGCSA-N 3 1 254.378 -0.379 20 0 CBADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001326311483 884984505 /nfs/dbraw/zinc/98/45/05/884984505.db2.gz ZWSAXYFZPLUFHJ-GFCCVEGCSA-N 3 1 254.378 -0.379 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001446440367 912884877 /nfs/dbraw/zinc/88/48/77/912884877.db2.gz ZRVHNMLRRQCPOF-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001446441568 912885072 /nfs/dbraw/zinc/88/50/72/912885072.db2.gz ZZLQKAJHXXGTFM-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC[C@H]1[NH3+] ZINC001326370403 885009312 /nfs/dbraw/zinc/00/93/12/885009312.db2.gz VHTLMTVTTHMTBR-WCBMZHEXSA-N 2 1 263.345 -0.135 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC001326688553 885112445 /nfs/dbraw/zinc/11/24/45/885112445.db2.gz TVIXCTLUZBIOGH-STQMWFEESA-N 2 1 296.415 -0.310 20 0 CBADMP O=C(C[N@@H+](C[C@H]1CCOC1)C1CC1)N1CC[NH2+]CC1 ZINC001327087280 885253767 /nfs/dbraw/zinc/25/37/67/885253767.db2.gz LNVABCDZQSAFRN-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001446702962 912924259 /nfs/dbraw/zinc/92/42/59/912924259.db2.gz VBRWAJOGLJPXPB-OLZOCXBDSA-N 2 1 299.415 -0.284 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001327522040 885390994 /nfs/dbraw/zinc/39/09/94/885390994.db2.gz YTDHRVPEZXBYDC-UTUOFQBUSA-N 2 1 296.415 -0.158 20 0 CBADMP [NH3+]CCCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001327682023 885449690 /nfs/dbraw/zinc/44/96/90/885449690.db2.gz ITGRXMHCYFJDRK-CHWSQXEVSA-N 2 1 296.415 -0.025 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001446758162 912940963 /nfs/dbraw/zinc/94/09/63/912940963.db2.gz NEYGQVWMQJKUNB-JSGCOSHPSA-N 2 1 299.415 -0.596 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC001327919576 885529282 /nfs/dbraw/zinc/52/92/82/885529282.db2.gz TVIXCTLUZBIOGH-CHWSQXEVSA-N 2 1 296.415 -0.310 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]CCO)CC2)C1 ZINC001328049518 885561600 /nfs/dbraw/zinc/56/16/00/885561600.db2.gz HSXQHCMVYJOWGA-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001446801004 912955523 /nfs/dbraw/zinc/95/55/23/912955523.db2.gz ZVIXTNQVVUTQRX-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001446801004 912955533 /nfs/dbraw/zinc/95/55/33/912955533.db2.gz ZVIXTNQVVUTQRX-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001446801004 912955544 /nfs/dbraw/zinc/95/55/44/912955544.db2.gz ZVIXTNQVVUTQRX-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001446801004 912955553 /nfs/dbraw/zinc/95/55/53/912955553.db2.gz ZVIXTNQVVUTQRX-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001446801004 912955566 /nfs/dbraw/zinc/95/55/66/912955566.db2.gz ZVIXTNQVVUTQRX-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH3+])C1 ZINC001328368015 885657394 /nfs/dbraw/zinc/65/73/94/885657394.db2.gz MGRDGVASZLFLIK-LLVKDONJSA-N 2 1 270.377 -0.558 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001328370229 885660117 /nfs/dbraw/zinc/66/01/17/885660117.db2.gz MHKDWSNWPTUKCJ-WOPDTQHZSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@H]([NH2+]CCO)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001446940105 912982043 /nfs/dbraw/zinc/98/20/43/912982043.db2.gz GOOLHLCHJJAGOW-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC001329429066 886062135 /nfs/dbraw/zinc/06/21/35/886062135.db2.gz YOFFLTMRUBWRMM-NWDGAFQWSA-N 2 1 254.378 -0.536 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(N)=O ZINC001447051962 913009642 /nfs/dbraw/zinc/00/96/42/913009642.db2.gz ZONCHFLSWYEBCE-CHWSQXEVSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(N)=O ZINC001447051962 913009647 /nfs/dbraw/zinc/00/96/47/913009647.db2.gz ZONCHFLSWYEBCE-CHWSQXEVSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001447051962 913009664 /nfs/dbraw/zinc/00/96/64/913009664.db2.gz ZONCHFLSWYEBCE-CHWSQXEVSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001447051962 913009676 /nfs/dbraw/zinc/00/96/76/913009676.db2.gz ZONCHFLSWYEBCE-CHWSQXEVSA-N 2 1 296.415 -0.123 20 0 CBADMP COCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001447049811 913010288 /nfs/dbraw/zinc/01/02/88/913010288.db2.gz YQQUNZUICYZRQS-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001447049811 913010322 /nfs/dbraw/zinc/01/03/22/913010322.db2.gz YQQUNZUICYZRQS-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001447049811 913010341 /nfs/dbraw/zinc/01/03/41/913010341.db2.gz YQQUNZUICYZRQS-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CCCO ZINC001329613566 886143096 /nfs/dbraw/zinc/14/30/96/886143096.db2.gz PCDDNHKDGSWCMB-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CCCO ZINC001329613566 886143102 /nfs/dbraw/zinc/14/31/02/886143102.db2.gz PCDDNHKDGSWCMB-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CCCO ZINC001329613566 886143109 /nfs/dbraw/zinc/14/31/09/886143109.db2.gz PCDDNHKDGSWCMB-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP CCN1CC(CCO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001329695645 886179055 /nfs/dbraw/zinc/17/90/55/886179055.db2.gz ZMOIQWNVIPNDNF-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC001329893885 886260873 /nfs/dbraw/zinc/26/08/73/886260873.db2.gz ZAEYWVZVCYNYQM-LBPRGKRZSA-N 2 1 269.389 -0.053 20 0 CBADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001329926417 886282148 /nfs/dbraw/zinc/28/21/48/886282148.db2.gz SKWRGKFSLIARPF-KBPBESRZSA-N 3 1 280.416 -0.513 20 0 CBADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001329926419 886284232 /nfs/dbraw/zinc/28/42/32/886284232.db2.gz SKWRGKFSLIARPF-KGLIPLIRSA-N 3 1 280.416 -0.513 20 0 CBADMP O=C1C[C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CN1 ZINC001329942063 886292584 /nfs/dbraw/zinc/29/25/84/886292584.db2.gz VLRWMMSQXBEWPM-YPMHNXCESA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](CCOCCO)C1 ZINC001330032630 886331075 /nfs/dbraw/zinc/33/10/75/886331075.db2.gz VDBXPSJWXKBSIF-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001330024517 886332311 /nfs/dbraw/zinc/33/23/11/886332311.db2.gz RFTDWLJVOICEBO-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)n1ccnc1 ZINC001330115284 886362743 /nfs/dbraw/zinc/36/27/43/886362743.db2.gz PTTOIMAPQODDCK-RYUDHWBXSA-N 2 1 293.371 -0.100 20 0 CBADMP C[C@H](C[NH3+])n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001330288961 886412384 /nfs/dbraw/zinc/41/23/84/886412384.db2.gz BXAKCANFLSKOHH-SNVBAGLBSA-N 3 1 252.366 -0.237 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)C1 ZINC001330528713 886470625 /nfs/dbraw/zinc/47/06/25/886470625.db2.gz NWWHMKYGUMKZPK-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC([NH3+])CC3)CC[C@H]21 ZINC001330568312 886483165 /nfs/dbraw/zinc/48/31/65/886483165.db2.gz SLXFYEDYCWRUSF-DGCLKSJQSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC001330594482 886493429 /nfs/dbraw/zinc/49/34/29/886493429.db2.gz KZLGXLBAFARMJX-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001330604351 886498428 /nfs/dbraw/zinc/49/84/28/886498428.db2.gz ZBCMSRRCSYOXPY-NSHDSACASA-N 2 1 252.318 -0.232 20 0 CBADMP C[C@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC001330617870 886506312 /nfs/dbraw/zinc/50/63/12/886506312.db2.gz DKAVHRDUFGESTJ-UTUOFQBUSA-N 2 1 254.378 -0.524 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3=NO[C@@H](C[NH3+])C3)CC[C@H]21 ZINC001330641123 886515042 /nfs/dbraw/zinc/51/50/42/886515042.db2.gz PTHQVCLYHGJBDX-CKYFFXLPSA-N 2 1 266.345 -0.357 20 0 CBADMP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001330651868 886517897 /nfs/dbraw/zinc/51/78/97/886517897.db2.gz JWLYVXDQVWPPIE-NSHDSACASA-N 2 1 255.362 -0.300 20 0 CBADMP COCC[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001330674366 886528874 /nfs/dbraw/zinc/52/88/74/886528874.db2.gz PCIHWVJUTTWVLR-HDJSIYSDSA-N 2 1 299.415 -0.161 20 0 CBADMP C[C@H](O)C[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001447327548 913058402 /nfs/dbraw/zinc/05/84/02/913058402.db2.gz WRZBEHVJJCDSNB-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001447327548 913058415 /nfs/dbraw/zinc/05/84/15/913058415.db2.gz WRZBEHVJJCDSNB-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@H](O)C[NH+](C)CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001447327548 913058428 /nfs/dbraw/zinc/05/84/28/913058428.db2.gz WRZBEHVJJCDSNB-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@H](O)C[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001447327548 913058447 /nfs/dbraw/zinc/05/84/47/913058447.db2.gz WRZBEHVJJCDSNB-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP CC(=O)C1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001330696041 886534220 /nfs/dbraw/zinc/53/42/20/886534220.db2.gz CKIMAXFUTLWPPH-UHFFFAOYSA-N 2 1 253.346 -0.281 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC001330879998 886613648 /nfs/dbraw/zinc/61/36/48/886613648.db2.gz NYXDOKXDZNJCLI-LLVKDONJSA-N 2 1 259.350 -0.811 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC001330879998 886613662 /nfs/dbraw/zinc/61/36/62/886613662.db2.gz NYXDOKXDZNJCLI-LLVKDONJSA-N 2 1 259.350 -0.811 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001330862188 886600500 /nfs/dbraw/zinc/60/05/00/886600500.db2.gz OQECGOBSNRXDLZ-QWRGUYRKSA-N 2 1 295.387 -0.203 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC001330861613 886601618 /nfs/dbraw/zinc/60/16/18/886601618.db2.gz WONICUFFUPCIDF-JTQLQIEISA-N 2 1 288.417 -0.995 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@H]([NH3+])CCOC)CC1 ZINC001330880945 886614397 /nfs/dbraw/zinc/61/43/97/886614397.db2.gz WTOXBVASFBMALB-ZDUSSCGKSA-N 2 1 286.420 -0.506 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@]1(O)CC[NH+](C)C1)[C@@H]1CCC[C@H]1O ZINC001447361616 913062586 /nfs/dbraw/zinc/06/25/86/913062586.db2.gz MGGJSDSVMZXIAN-BZPMIXESSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCC[C@H]1O ZINC001447361616 913062601 /nfs/dbraw/zinc/06/26/01/913062601.db2.gz MGGJSDSVMZXIAN-BZPMIXESSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCC[C@H]1O ZINC001447361616 913062621 /nfs/dbraw/zinc/06/26/21/913062621.db2.gz MGGJSDSVMZXIAN-BZPMIXESSA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CC[C@@H]1O ZINC001331108852 886676121 /nfs/dbraw/zinc/67/61/21/886676121.db2.gz GSJVPARDRUCTTE-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331197291 886723198 /nfs/dbraw/zinc/72/31/98/886723198.db2.gz PKBCVJATNBMPEW-JHJVBQTASA-N 2 1 296.415 -0.312 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331196913 886723680 /nfs/dbraw/zinc/72/36/80/886723680.db2.gz PKBCVJATNBMPEW-AVGNSLFASA-N 2 1 296.415 -0.312 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001331320870 886776084 /nfs/dbraw/zinc/77/60/84/886776084.db2.gz ZEBMUMXBJNSDGO-QWHCGFSZSA-N 2 1 298.431 -0.066 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331413414 886795667 /nfs/dbraw/zinc/79/56/67/886795667.db2.gz POCMEGZNWZNXIM-NHCYSSNCSA-N 2 1 256.350 -0.911 20 0 CBADMP CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC001331573957 886852487 /nfs/dbraw/zinc/85/24/87/886852487.db2.gz HNLWIKRTEHWFHB-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001331687034 886907116 /nfs/dbraw/zinc/90/71/16/886907116.db2.gz YLCVLFIYOHCPRE-CHWSQXEVSA-N 2 1 269.389 -0.053 20 0 CBADMP Cn1cncc1CC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC001331759580 886961857 /nfs/dbraw/zinc/96/18/57/886961857.db2.gz OWIOCMRYJTWKFP-JTQLQIEISA-N 2 1 258.347 -0.675 20 0 CBADMP Cn1cncc1CCN1CC[C@H](S(N)(=O)=O)C1 ZINC001331759580 886961863 /nfs/dbraw/zinc/96/18/63/886961863.db2.gz OWIOCMRYJTWKFP-JTQLQIEISA-N 2 1 258.347 -0.675 20 0 CBADMP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ncnn1C ZINC001331898001 887035171 /nfs/dbraw/zinc/03/51/71/887035171.db2.gz NMUZXVWFDHBRSZ-GFCCVEGCSA-N 2 1 266.393 -0.069 20 0 CBADMP CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CNCCO3)C[C@@H]2C1 ZINC001331933060 887052138 /nfs/dbraw/zinc/05/21/38/887052138.db2.gz LPNAIXWSBMJANJ-XQQFMLRXSA-N 2 1 253.346 -0.615 20 0 CBADMP COCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001447708393 913109080 /nfs/dbraw/zinc/10/90/80/913109080.db2.gz CVMSWVHOFOMRJS-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CCO)C[C@@H]1C ZINC001332051808 887095061 /nfs/dbraw/zinc/09/50/61/887095061.db2.gz UFVPSZZJPCTMJA-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001447736250 913112747 /nfs/dbraw/zinc/11/27/47/913112747.db2.gz BFLRTSGOILNIGF-OLZOCXBDSA-N 2 1 299.415 -0.738 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC[C@@H]21 ZINC001332115895 887116202 /nfs/dbraw/zinc/11/62/02/887116202.db2.gz JDDUBWURVFHSTM-XQQFMLRXSA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)C1CC1 ZINC001332267649 887177882 /nfs/dbraw/zinc/17/78/82/887177882.db2.gz PVKNKAZWTBAIRD-STQMWFEESA-N 2 1 294.399 -0.450 20 0 CBADMP OCC[NH2+]C1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001332334317 887208171 /nfs/dbraw/zinc/20/81/71/887208171.db2.gz KGTRZYMKVULCHZ-ZDUSSCGKSA-N 3 1 269.389 -0.589 20 0 CBADMP CNC(=O)C[NH2+]CC1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001447800916 913126209 /nfs/dbraw/zinc/12/62/09/913126209.db2.gz YXTJZHCRBXZTIT-UHFFFAOYSA-N 2 1 296.415 -0.299 20 0 CBADMP CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC001332399945 887260975 /nfs/dbraw/zinc/26/09/75/887260975.db2.gz FWOHVQOAMFACRD-UTLUCORTSA-N 2 1 262.375 -0.749 20 0 CBADMP C[NH2+]CCC1CC[NH+](CC(=O)N2CCNCC2)CC1 ZINC001332417142 887270401 /nfs/dbraw/zinc/27/04/01/887270401.db2.gz RQFVFJIVLPDFOE-UHFFFAOYSA-N 2 1 268.405 -0.260 20 0 CBADMP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N1CCNCC1 ZINC001332423488 887273754 /nfs/dbraw/zinc/27/37/54/887273754.db2.gz CIWWKENQTIMFCL-UHFFFAOYSA-N 2 1 266.389 -0.506 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001447822356 913134059 /nfs/dbraw/zinc/13/40/59/913134059.db2.gz KASFLSMSOFYGNT-UHFFFAOYSA-N 2 1 270.377 -0.704 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CC(C[NH2+][C@H]2CCNC2=O)C1 ZINC001447818865 913135701 /nfs/dbraw/zinc/13/57/01/913135701.db2.gz FBVDNRWEPVHOEP-BPCQOVAHSA-N 2 1 296.415 -0.299 20 0 CBADMP 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 887348561 /nfs/dbraw/zinc/34/85/61/887348561.db2.gz MOHPTRICRKAZQW-IEECTRCBSA-N 2 1 264.373 -0.060 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001333000126 887498585 /nfs/dbraw/zinc/49/85/85/887498585.db2.gz LUHIQZNJCRMAFU-ADEWGFFLSA-N 2 1 266.345 -0.215 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CCCO)C2)C1 ZINC001333155096 887544373 /nfs/dbraw/zinc/54/43/73/887544373.db2.gz YCFUJYRWEORMKN-RUXDESIVSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CCCO)C2)C1 ZINC001333155096 887544379 /nfs/dbraw/zinc/54/43/79/887544379.db2.gz YCFUJYRWEORMKN-RUXDESIVSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC001333163150 887546026 /nfs/dbraw/zinc/54/60/26/887546026.db2.gz MSBFTYIQIPRTAS-LBPRGKRZSA-N 2 1 296.415 -0.121 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CCC2C[NH2+]C2)C1 ZINC001333335370 887599320 /nfs/dbraw/zinc/59/93/20/887599320.db2.gz DEJQKYPONBWTPE-CYBMUJFWSA-N 2 1 296.415 -0.310 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC[N@H+]1C ZINC001333378740 887615893 /nfs/dbraw/zinc/61/58/93/887615893.db2.gz GLLFUEDLEOXWLW-AVGNSLFASA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC001333380013 887616028 /nfs/dbraw/zinc/61/60/28/887616028.db2.gz WBIOOIRVZHELIM-AVGNSLFASA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001333397699 887622060 /nfs/dbraw/zinc/62/20/60/887622060.db2.gz MNBRRZMDUYPPRW-VHSXEESVSA-N 2 1 268.361 -0.855 20 0 CBADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC001333404767 887625452 /nfs/dbraw/zinc/62/54/52/887625452.db2.gz ICQLPNAMJPYYCU-GMXVVIOVSA-N 2 1 294.399 -0.394 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001447916473 913166169 /nfs/dbraw/zinc/16/61/69/913166169.db2.gz YCSIFRUMUVRNOV-WDEREUQCSA-N 2 1 297.407 -0.465 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001447916473 913166180 /nfs/dbraw/zinc/16/61/80/913166180.db2.gz YCSIFRUMUVRNOV-WDEREUQCSA-N 2 1 297.407 -0.465 20 0 CBADMP C([C@H]1CCC2(C[NH2+]C2)O1)N1CCNCC[NH2+]CC1 ZINC001333530163 887675579 /nfs/dbraw/zinc/67/55/79/887675579.db2.gz UXHPICUSSXGIHQ-GFCCVEGCSA-N 2 1 254.378 -0.998 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001447937380 913170669 /nfs/dbraw/zinc/17/06/69/913170669.db2.gz NPOMAULBMWERDI-WDEREUQCSA-N 2 1 295.387 -0.237 20 0 CBADMP C[N@@H+](CCCO)C1CCN(C[C@H]2CNC(=O)C2)CC1 ZINC001333582127 887704482 /nfs/dbraw/zinc/70/44/82/887704482.db2.gz JYBAMKFRNQOCGC-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@@H+](CCCO)C1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC001333582127 887704501 /nfs/dbraw/zinc/70/45/01/887704501.db2.gz JYBAMKFRNQOCGC-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP c1c(CCC[NH+]2CCOCC2)nnn1CC1C[NH2+]C1 ZINC001333860597 887790800 /nfs/dbraw/zinc/79/08/00/887790800.db2.gz XRPZYLCSYQLQQW-UHFFFAOYSA-N 2 1 265.361 -0.238 20 0 CBADMP C[N@@H+](CCOCC[NH3+])C[C@@H](O)COC1CCOCC1 ZINC001334339191 887928048 /nfs/dbraw/zinc/92/80/48/887928048.db2.gz WLIULZFGXLHJTR-GFCCVEGCSA-N 2 1 276.377 -0.550 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001448086785 913218270 /nfs/dbraw/zinc/21/82/70/913218270.db2.gz OFRSYOSLQOWUGD-MNOVXSKESA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001448086785 913218286 /nfs/dbraw/zinc/21/82/86/913218286.db2.gz OFRSYOSLQOWUGD-MNOVXSKESA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001448084003 913218614 /nfs/dbraw/zinc/21/86/14/913218614.db2.gz YNHUECGCOHLLHJ-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001448084003 913218631 /nfs/dbraw/zinc/21/86/31/913218631.db2.gz YNHUECGCOHLLHJ-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001334736869 888304621 /nfs/dbraw/zinc/30/46/21/888304621.db2.gz CEEKEMIXVQZEEU-JYJNAYRXSA-N 2 1 294.443 -0.266 20 0 CBADMP OCC[NH+]1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC001334762103 888312515 /nfs/dbraw/zinc/31/25/15/888312515.db2.gz FDZKRAUBHIQCLC-UONOGXRCSA-N 2 1 269.389 -0.635 20 0 CBADMP OCC[NH+]1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC001334762104 888313156 /nfs/dbraw/zinc/31/31/56/888313156.db2.gz FDZKRAUBHIQCLC-ZIAGYGMSSA-N 2 1 269.389 -0.635 20 0 CBADMP C[C@H]1C[N@@H+](CC(=O)N2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001335180446 888435162 /nfs/dbraw/zinc/43/51/62/888435162.db2.gz HCOVASJELDSHPF-NWDGAFQWSA-N 3 1 254.378 -0.665 20 0 CBADMP C[C@H]1C[N@H+](CC(=O)N2CCNCC2)CC[C@@H]1C[NH3+] ZINC001335180446 888435172 /nfs/dbraw/zinc/43/51/72/888435172.db2.gz HCOVASJELDSHPF-NWDGAFQWSA-N 2 1 254.378 -0.665 20 0 CBADMP C[C@H]1C[N@@H+](CC(=O)N2CCNCC2)CC[C@@H]1C[NH3+] ZINC001335180446 888435183 /nfs/dbraw/zinc/43/51/83/888435183.db2.gz HCOVASJELDSHPF-NWDGAFQWSA-N 2 1 254.378 -0.665 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCN(C)CC[NH+](C)CC1 ZINC001335243974 888463700 /nfs/dbraw/zinc/46/37/00/888463700.db2.gz NGSQJCSOPZJMOY-CQSZACIVSA-N 2 1 272.437 -0.522 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CCN(C)CC[N@H+](C)CC1 ZINC001335243974 888463707 /nfs/dbraw/zinc/46/37/07/888463707.db2.gz NGSQJCSOPZJMOY-CQSZACIVSA-N 2 1 272.437 -0.522 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CCN(C)CC[N@@H+](C)CC1 ZINC001335243974 888463716 /nfs/dbraw/zinc/46/37/16/888463716.db2.gz NGSQJCSOPZJMOY-CQSZACIVSA-N 2 1 272.437 -0.522 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001335378770 888520792 /nfs/dbraw/zinc/52/07/92/888520792.db2.gz JIQLYEWULTXAGK-TUAOUCFPSA-N 2 1 284.404 -0.267 20 0 CBADMP C[N@H+]1CCCC[C@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC001335475942 888540610 /nfs/dbraw/zinc/54/06/10/888540610.db2.gz GNHXRYRWJAPTSE-SNVBAGLBSA-N 2 1 256.350 -0.107 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC[N@H+]1C ZINC001335752324 888621217 /nfs/dbraw/zinc/62/12/17/888621217.db2.gz WXRXEISEFRYXEZ-YFKTTZPYSA-N 2 1 282.388 -0.561 20 0 CBADMP CC(=O)N1CCN(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC001335934847 888657930 /nfs/dbraw/zinc/65/79/30/888657930.db2.gz SSPUOACLDMNDCO-HNNXBMFYSA-N 2 1 298.431 -0.803 20 0 CBADMP CN1CCN(C[C@@H](O)C[NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC001335969256 888662915 /nfs/dbraw/zinc/66/29/15/888662915.db2.gz RXMHEYUBSKMEBL-HNNXBMFYSA-N 2 1 298.475 -0.084 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)CC[N@@H+]1C ZINC001336108887 888695232 /nfs/dbraw/zinc/69/52/32/888695232.db2.gz YRTGBHHQPJOQFC-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)CC[N@H+]1C ZINC001336108887 888695242 /nfs/dbraw/zinc/69/52/42/888695242.db2.gz YRTGBHHQPJOQFC-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCN(C(=O)CNc2cc[nH+]cc2CO)CC1 ZINC001336502134 888780954 /nfs/dbraw/zinc/78/09/54/888780954.db2.gz RHBOOXVGVITRPZ-UHFFFAOYSA-N 2 1 264.329 -0.818 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001448323278 913279479 /nfs/dbraw/zinc/27/94/79/913279479.db2.gz XZFYRXIKWLDHBJ-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC001336720989 888857129 /nfs/dbraw/zinc/85/71/29/888857129.db2.gz JFPLSSDXBPLQJW-UONOGXRCSA-N 2 1 298.431 -0.364 20 0 CBADMP CCN1C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1=O ZINC001336778147 888880176 /nfs/dbraw/zinc/88/01/76/888880176.db2.gz FOKLBVDEJBVBJD-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP CCN1C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC001336778147 888880188 /nfs/dbraw/zinc/88/01/88/888880188.db2.gz FOKLBVDEJBVBJD-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP CC1(C)CN(C(=O)NCC(F)(F)C[NH3+])C[C@@H]1[NH3+] ZINC001336895567 888913430 /nfs/dbraw/zinc/91/34/30/888913430.db2.gz HRROBSNPZLAJNU-ZETCQYMHSA-N 2 1 250.293 -0.041 20 0 CBADMP C[N@H+]1CCCC[C@H]1CNC(=O)N1CCNCC[NH2+]CC1 ZINC001337062657 888956988 /nfs/dbraw/zinc/95/69/88/888956988.db2.gz OWKOSXNBYGVFSG-ZDUSSCGKSA-N 2 1 283.420 -0.325 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC001337441599 889011481 /nfs/dbraw/zinc/01/14/81/889011481.db2.gz UDIMYTVRVJJSDJ-YFKTTZPYSA-N 2 1 294.399 -0.419 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001337472600 889017733 /nfs/dbraw/zinc/01/77/33/889017733.db2.gz YPANJVCNZWZBCE-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)C[C@H]1CCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC001337590533 889046379 /nfs/dbraw/zinc/04/63/79/889046379.db2.gz IUCVVXHGJAVLAO-CYBMUJFWSA-N 2 1 268.405 -0.356 20 0 CBADMP C[NH+]1CCC([NH2+]CC2CN(S(C)(=O)=O)C2)CC1 ZINC001338448802 889161980 /nfs/dbraw/zinc/16/19/80/889161980.db2.gz PWYSJOKGDQJHSS-UHFFFAOYSA-N 2 1 261.391 -0.438 20 0 CBADMP C[C@H]1CN(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCO1 ZINC001338468884 889163775 /nfs/dbraw/zinc/16/37/75/889163775.db2.gz ZFFFRXITIAFFMT-UONOGXRCSA-N 2 1 271.405 -0.247 20 0 CBADMP C[C@@H]1CN(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)CCO1 ZINC001338468883 889164100 /nfs/dbraw/zinc/16/41/00/889164100.db2.gz ZFFFRXITIAFFMT-KGLIPLIRSA-N 2 1 271.405 -0.247 20 0 CBADMP [NH3+]C1(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001338518337 889170310 /nfs/dbraw/zinc/17/03/10/889170310.db2.gz ALBWGHXTLKSANK-MNOVXSKESA-N 2 1 268.361 -0.360 20 0 CBADMP 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 913317700 /nfs/dbraw/zinc/31/77/00/913317700.db2.gz ZCRPWIFWINGSCE-CYDGBPFRSA-N 2 1 296.415 -0.314 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001338759888 889199941 /nfs/dbraw/zinc/19/99/41/889199941.db2.gz LMVMEZKDTDKDLB-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001338759888 889199954 /nfs/dbraw/zinc/19/99/54/889199954.db2.gz LMVMEZKDTDKDLB-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC001339708943 889311650 /nfs/dbraw/zinc/31/16/50/889311650.db2.gz JMJYMIIYMNBZGC-JHJVBQTASA-N 2 1 266.389 -0.510 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001448643354 913337682 /nfs/dbraw/zinc/33/76/82/913337682.db2.gz CQOMXVRPUDBVAK-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001340041469 889370543 /nfs/dbraw/zinc/37/05/43/889370543.db2.gz KCVXLHOZIBXFBO-YRGRVCCFSA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[NH2+]CCN2C)CC[N@H+]1C ZINC001340105578 889386601 /nfs/dbraw/zinc/38/66/01/889386601.db2.gz NZVUGJLFUPEJLJ-FRRDWIJNSA-N 2 1 268.405 -0.169 20 0 CBADMP [NH3+]Cc1ncc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC001340149146 889395487 /nfs/dbraw/zinc/39/54/87/889395487.db2.gz QEKKYVSTHIGAQU-OCAPTIKFSA-N 2 1 252.343 -0.107 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340199272 889408602 /nfs/dbraw/zinc/40/86/02/889408602.db2.gz FPHGGYZABYTICT-YPMHNXCESA-N 2 1 257.378 -0.053 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001340251515 889413676 /nfs/dbraw/zinc/41/36/76/889413676.db2.gz YICDFQRSHUMNPB-CHWSQXEVSA-N 2 1 268.405 -0.275 20 0 CBADMP [NH3+][C@H](CO)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001340287095 889419156 /nfs/dbraw/zinc/41/91/56/889419156.db2.gz LOJHWUNSVXXSNL-RTXFEEFZSA-N 2 1 267.373 -0.219 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH2+]C(C)(C)C1 ZINC001340319349 889422701 /nfs/dbraw/zinc/42/27/01/889422701.db2.gz JLEMYIKMVXQBHA-NEPJUHHUSA-N 2 1 266.389 -0.415 20 0 CBADMP [NH3+]C[C@@H](O)CC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC001340468295 889436163 /nfs/dbraw/zinc/43/61/63/889436163.db2.gz CREMTNKLQFGLHU-NWDGAFQWSA-N 2 1 264.329 -0.736 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001340478972 889439583 /nfs/dbraw/zinc/43/95/83/889439583.db2.gz VYJSWKQXVJYXFB-SRVKXCTJSA-N 2 1 254.378 -0.654 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](O)C[NH3+])CC2 ZINC001340643842 889459054 /nfs/dbraw/zinc/45/90/54/889459054.db2.gz JYFXGMLTEZHORT-GXSJLCMTSA-N 2 1 252.318 -0.810 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](O)C[NH3+])CC2 ZINC001340643843 889460178 /nfs/dbraw/zinc/46/01/78/889460178.db2.gz JYFXGMLTEZHORT-KOLCDFICSA-N 2 1 252.318 -0.810 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001340852588 889498455 /nfs/dbraw/zinc/49/84/55/889498455.db2.gz IBHDZRPGJFATSS-WXHSDQCUSA-N 2 1 269.389 -0.197 20 0 CBADMP CN(C)c1cc(NC(=O)[C@H]2C[NH2+]CCN2C)cc[nH+]1 ZINC001340882607 889503150 /nfs/dbraw/zinc/50/31/50/889503150.db2.gz YMJQTOCOBDUHRD-LLVKDONJSA-N 2 1 263.345 -0.010 20 0 CBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CO)C1 ZINC001340881927 889503090 /nfs/dbraw/zinc/50/30/90/889503090.db2.gz UNPKBPMYPHVOND-NWDGAFQWSA-N 2 1 255.362 -0.504 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001340891897 889506563 /nfs/dbraw/zinc/50/65/63/889506563.db2.gz BZPJKAQGEGNZNL-SRVKXCTJSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2C[NH2+]1 ZINC001340935952 889516576 /nfs/dbraw/zinc/51/65/76/889516576.db2.gz LKFFMZYKBVCVLC-QAHWYCSRSA-N 2 1 261.329 -0.678 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1(C)C ZINC001340953479 889524238 /nfs/dbraw/zinc/52/42/38/889524238.db2.gz RTACSGKVPVVSQL-GXFFZTMASA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1(C)C ZINC001340953479 889524253 /nfs/dbraw/zinc/52/42/53/889524253.db2.gz RTACSGKVPVVSQL-GXFFZTMASA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CNCC[NH3+])C1 ZINC001340987622 889526707 /nfs/dbraw/zinc/52/67/07/889526707.db2.gz XISCRMDEFUGZFX-RYUDHWBXSA-N 2 1 254.378 -0.523 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001448704106 913355211 /nfs/dbraw/zinc/35/52/11/913355211.db2.gz XDUPMLVAIIWFLY-PWSUYJOCSA-N 2 1 295.387 -0.237 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC(C)(C)CC[NH3+] ZINC001341129807 889548319 /nfs/dbraw/zinc/54/83/19/889548319.db2.gz LXQMXSLFGWHKDT-QWRGUYRKSA-N 2 1 254.378 -0.382 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001341160052 889550497 /nfs/dbraw/zinc/55/04/97/889550497.db2.gz YKHLLKUWUMYXIO-XQQFMLRXSA-N 2 1 267.373 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001341160052 889550504 /nfs/dbraw/zinc/55/05/04/889550504.db2.gz YKHLLKUWUMYXIO-XQQFMLRXSA-N 2 1 267.373 -0.225 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001341160054 889550552 /nfs/dbraw/zinc/55/05/52/889550552.db2.gz YKHLLKUWUMYXIO-YNEHKIRRSA-N 2 1 267.373 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001341160054 889550560 /nfs/dbraw/zinc/55/05/60/889550560.db2.gz YKHLLKUWUMYXIO-YNEHKIRRSA-N 2 1 267.373 -0.225 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC(C[NH3+])CC1 ZINC001341351425 889580997 /nfs/dbraw/zinc/58/09/97/889580997.db2.gz BSCSNZQSRIJAOQ-WCQYABFASA-N 2 1 266.389 -0.428 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001341395009 889590145 /nfs/dbraw/zinc/59/01/45/889590145.db2.gz HVIDHLWTNUVXOD-LBPRGKRZSA-N 2 1 272.393 -0.944 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001341395009 889590154 /nfs/dbraw/zinc/59/01/54/889590154.db2.gz HVIDHLWTNUVXOD-LBPRGKRZSA-N 2 1 272.393 -0.944 20 0 CBADMP CN1CCN(C(=O)CC(C)(C)[NH3+])CC[N@@H+](C)CC1 ZINC001341394336 889590366 /nfs/dbraw/zinc/59/03/66/889590366.db2.gz AKXRCXJFAITNKL-UHFFFAOYSA-N 2 1 256.394 -0.180 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341457489 889602293 /nfs/dbraw/zinc/60/22/93/889602293.db2.gz JDZALRITEGCNAF-BZPMIXESSA-N 2 1 267.373 -0.177 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001341530093 889618086 /nfs/dbraw/zinc/61/80/86/889618086.db2.gz SGBJAHUIZMLJJE-BJDJZHNGSA-N 2 1 252.362 -0.772 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001341530096 889618164 /nfs/dbraw/zinc/61/81/64/889618164.db2.gz SGBJAHUIZMLJJE-KKOKHZNYSA-N 2 1 252.362 -0.772 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001341553797 889620767 /nfs/dbraw/zinc/62/07/67/889620767.db2.gz BQDZIWFPLBREJY-DCBWTQNWSA-N 2 1 269.389 -0.066 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)C1CC1 ZINC001341584955 889628355 /nfs/dbraw/zinc/62/83/55/889628355.db2.gz KLJPNTQFBPVGOM-YPMHNXCESA-N 2 1 255.362 -0.300 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)CC2CC([NH3+])C2)C1 ZINC001341605668 889632106 /nfs/dbraw/zinc/63/21/06/889632106.db2.gz QOOVZUYEXTWMQL-HTAVTVPLSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)C[C@@H](O)C[NH3+])C[C@H](C)O1 ZINC001341645440 889640711 /nfs/dbraw/zinc/64/07/11/889640711.db2.gz ZITCJBQVEQTKQV-GRYCIOLGSA-N 2 1 273.377 -0.688 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC[NH2+]1 ZINC001341660036 889641718 /nfs/dbraw/zinc/64/17/18/889641718.db2.gz QHHKSEXBKXLOEP-YVECIDJPSA-N 2 1 266.389 -0.369 20 0 CBADMP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[NH+](CCO)CC1 ZINC001341673239 889646297 /nfs/dbraw/zinc/64/62/97/889646297.db2.gz BDZUMALOIRRWMV-GFCCVEGCSA-N 2 1 257.378 -0.114 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341715282 889652447 /nfs/dbraw/zinc/65/24/47/889652447.db2.gz SXVLXFVYCLYXSE-YPMHNXCESA-N 2 1 273.377 -0.816 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001341732178 889654475 /nfs/dbraw/zinc/65/44/75/889654475.db2.gz ILEQMSYLDRUYOE-QLFBSQMISA-N 2 1 294.443 -0.014 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001341732174 889655490 /nfs/dbraw/zinc/65/54/90/889655490.db2.gz ILEQMSYLDRUYOE-ILXRZTDVSA-N 2 1 294.443 -0.014 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341733049 889655504 /nfs/dbraw/zinc/65/55/04/889655504.db2.gz NTIZYLBQTVDNLG-WUWHUORYSA-N 2 1 267.373 -0.302 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001341776508 889660178 /nfs/dbraw/zinc/66/01/78/889660178.db2.gz POUPFYXOWAWMJK-AAEUAGOBSA-N 2 1 255.362 -0.348 20 0 CBADMP CN1CC[NH2+]C[C@@H]1C(=O)NCCCCC[NH+]1CCNCC1 ZINC001341823568 889668315 /nfs/dbraw/zinc/66/83/15/889668315.db2.gz PULCKCCLJMWMIO-CQSZACIVSA-N 2 1 297.447 -0.918 20 0 CBADMP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001341922249 889683529 /nfs/dbraw/zinc/68/35/29/889683529.db2.gz AHVBAAYMGCNAFB-QJPTWQEYSA-N 2 1 255.362 -0.219 20 0 CBADMP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1C[N@@H+](C)CCN1C ZINC001342033155 889701625 /nfs/dbraw/zinc/70/16/25/889701625.db2.gz CPMIKFJCWBRHLM-YNEHKIRRSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001342033155 889701655 /nfs/dbraw/zinc/70/16/55/889701655.db2.gz CPMIKFJCWBRHLM-YNEHKIRRSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1CN(C)CC[N@H+]1C ZINC001342033155 889701666 /nfs/dbraw/zinc/70/16/66/889701666.db2.gz CPMIKFJCWBRHLM-YNEHKIRRSA-N 2 1 268.405 -0.264 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001342075993 889707961 /nfs/dbraw/zinc/70/79/61/889707961.db2.gz AESIVBWNTXEELZ-SNVBAGLBSA-N 2 1 250.302 -0.561 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001342338517 889756384 /nfs/dbraw/zinc/75/63/84/889756384.db2.gz UMPBXMVANVUPPP-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001342350077 889758346 /nfs/dbraw/zinc/75/83/46/889758346.db2.gz RDRLGEMOVAZGLT-CIQGVGRVSA-N 2 1 267.373 -0.206 20 0 CBADMP NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001342537026 889789860 /nfs/dbraw/zinc/78/98/60/889789860.db2.gz WPTPTVKULCXVQI-TXEJJXNPSA-N 2 1 280.372 -0.711 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N3CCNCC[NH2+]CC3)cc2C[NH2+]1 ZINC001342615068 889801405 /nfs/dbraw/zinc/80/14/05/889801405.db2.gz LLFHKESPZUESTB-LLVKDONJSA-N 2 1 292.387 -0.990 20 0 CBADMP CN[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cnn(C)c1 ZINC001342650822 889810465 /nfs/dbraw/zinc/81/04/65/889810465.db2.gz UYQFSTZYMLILOL-JLLWLGSASA-N 2 1 265.361 -0.111 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C[C@H]1C[NH3+] ZINC001342757207 889824746 /nfs/dbraw/zinc/82/47/46/889824746.db2.gz KJWWZLDWRNGWBQ-LPWJVIDDSA-N 2 1 266.389 -0.572 20 0 CBADMP CN1CCN(C(=O)c2ccnc(C[NH3+])c2)CC[N@@H+](C)CC1 ZINC001342915035 889845505 /nfs/dbraw/zinc/84/55/05/889845505.db2.gz UTRAGEHJILCGLW-UHFFFAOYSA-N 2 1 291.399 -0.140 20 0 CBADMP CN1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[N@@H+](C)CC1 ZINC001342912978 889845665 /nfs/dbraw/zinc/84/56/65/889845665.db2.gz HDIXIOOPYXVLNI-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001342945466 889849145 /nfs/dbraw/zinc/84/91/45/889849145.db2.gz ZGEROIFIDBAMFG-KXNHARMFSA-N 2 1 253.346 -0.284 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001342945466 889849162 /nfs/dbraw/zinc/84/91/62/889849162.db2.gz ZGEROIFIDBAMFG-KXNHARMFSA-N 2 1 253.346 -0.284 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC001343039484 889859486 /nfs/dbraw/zinc/85/94/86/889859486.db2.gz YKQBIABFPIXTRR-AGIUHOORSA-N 2 1 266.389 -0.510 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[C@H]1CC[NH2+]C1 ZINC001343039487 889859739 /nfs/dbraw/zinc/85/97/39/889859739.db2.gz YKQBIABFPIXTRR-UPJWGTAASA-N 2 1 266.389 -0.510 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001343088543 889868229 /nfs/dbraw/zinc/86/82/29/889868229.db2.gz XOJBBKCXLOFNEQ-FIQHERPVSA-N 2 1 252.362 -0.772 20 0 CBADMP O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC001343370473 889894166 /nfs/dbraw/zinc/89/41/66/889894166.db2.gz DFWXYDZQQLTABI-CQSZACIVSA-N 2 1 267.373 -0.202 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC001343372773 889897154 /nfs/dbraw/zinc/89/71/54/889897154.db2.gz XPJKKFCEJTWOKY-XFMPKHEZSA-N 2 1 299.415 -0.285 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001343394431 889899612 /nfs/dbraw/zinc/89/96/12/889899612.db2.gz ZCYLOKUYEGLBCS-AAEUAGOBSA-N 2 1 273.377 -0.816 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001343409832 889901879 /nfs/dbraw/zinc/90/18/79/889901879.db2.gz SSAXXAAIDKKKCR-QJPTWQEYSA-N 2 1 255.362 -0.179 20 0 CBADMP [NH3+]CC1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC(O)C1 ZINC001343407285 889902426 /nfs/dbraw/zinc/90/24/26/889902426.db2.gz AMRDLNBPGOONAU-FJJSSXBZSA-N 2 1 253.346 -0.561 20 0 CBADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)C1 ZINC001343407721 889904009 /nfs/dbraw/zinc/90/40/09/889904009.db2.gz KCECTJNMBDRMSG-GHMZBOCLSA-N 2 1 257.378 -0.067 20 0 CBADMP Cn1nccc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001448819115 913401111 /nfs/dbraw/zinc/40/11/11/913401111.db2.gz DUZXTHHCBPVDRG-AAEUAGOBSA-N 2 1 295.387 -0.919 20 0 CBADMP C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](C)CCN1C ZINC001343492029 889921268 /nfs/dbraw/zinc/92/12/68/889921268.db2.gz UTSIWRXHKLHHCB-XQQFMLRXSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001343492029 889921288 /nfs/dbraw/zinc/92/12/88/889921288.db2.gz UTSIWRXHKLHHCB-XQQFMLRXSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)[C@@H]1CN(C)CC[N@H+]1C ZINC001343492029 889921299 /nfs/dbraw/zinc/92/12/99/889921299.db2.gz UTSIWRXHKLHHCB-XQQFMLRXSA-N 2 1 268.405 -0.121 20 0 CBADMP C[N@@H+]1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)[C@H](CO)C1 ZINC001343490049 889922085 /nfs/dbraw/zinc/92/20/85/889922085.db2.gz LYOYSIPDFYWZBN-AIMRDXAKSA-N 2 1 267.373 -0.323 20 0 CBADMP C[N@H+]1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)[C@H](CO)C1 ZINC001343490049 889922096 /nfs/dbraw/zinc/92/20/96/889922096.db2.gz LYOYSIPDFYWZBN-AIMRDXAKSA-N 2 1 267.373 -0.323 20 0 CBADMP C[NH2+]CCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001343565819 889931304 /nfs/dbraw/zinc/93/13/04/889931304.db2.gz ANSCXMVECIATPO-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH2+]CCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001343565815 889931949 /nfs/dbraw/zinc/93/19/49/889931949.db2.gz ANSCXMVECIATPO-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC[NH2+]CC3)[C@@H]2C1 ZINC001343592655 889938164 /nfs/dbraw/zinc/93/81/64/889938164.db2.gz PIBCLQWRCVQQLC-YNEHKIRRSA-N 2 1 266.389 -0.652 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001343591018 889939007 /nfs/dbraw/zinc/93/90/07/889939007.db2.gz AWBGNSAFTQHRFC-FVCCEPFGSA-N 2 1 268.405 -0.278 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001344081540 890001543 /nfs/dbraw/zinc/00/15/43/890001543.db2.gz MJDIWRFDAFYPJC-DTWKUNHWSA-N 2 1 251.334 -0.288 20 0 CBADMP O=C(NC[C@@H]1COCCN1)[C@H]1NCCc2occc21 ZINC001344356183 890017074 /nfs/dbraw/zinc/01/70/74/890017074.db2.gz BGBSUCCUGBJGIM-SKDRFNHKSA-N 2 1 265.313 -0.429 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC(C)(C)[NH3+] ZINC001344548247 890038997 /nfs/dbraw/zinc/03/89/97/890038997.db2.gz MRZZORIOLHCULV-WDEREUQCSA-N 2 1 254.378 -0.382 20 0 CBADMP [NH3+][C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)C[C@H]1C(F)(F)F ZINC001344720022 890055793 /nfs/dbraw/zinc/05/57/93/890055793.db2.gz JUYRVBYJPSMTDO-FSDSQADBSA-N 2 1 269.292 -0.003 20 0 CBADMP C[C@H]1[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC[N@H+]1C ZINC001344876742 890075805 /nfs/dbraw/zinc/07/58/05/890075805.db2.gz JMYHKLDHDBHZRJ-WPRPVWTQSA-N 2 1 263.345 -0.122 20 0 CBADMP C[NH2+]CCC(=O)NCCCCC[NH+]1CCNCC1 ZINC001344920318 890081807 /nfs/dbraw/zinc/08/18/07/890081807.db2.gz NYLZMUIRPCEXIS-UHFFFAOYSA-N 2 1 256.394 -0.212 20 0 CBADMP [NH3+][C@@H](CC(F)F)C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001345443060 890130201 /nfs/dbraw/zinc/13/02/01/890130201.db2.gz APZVSCCTIWOEQV-ZETCQYMHSA-N 2 1 259.260 -0.093 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001345469049 890132031 /nfs/dbraw/zinc/13/20/31/890132031.db2.gz BCISZHVPULZRIF-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC[NH+]1CCCC1 ZINC001345536334 890140124 /nfs/dbraw/zinc/14/01/24/890140124.db2.gz JLJNAJHQXFVGPY-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001345537386 890140278 /nfs/dbraw/zinc/14/02/78/890140278.db2.gz URHQUCPLTQSSGC-WCQYABFASA-N 2 1 266.389 -0.415 20 0 CBADMP CC(C)C[NH2+]CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001346102898 890215418 /nfs/dbraw/zinc/21/54/18/890215418.db2.gz CUUQGUDUXVEPSY-ZDUSSCGKSA-N 2 1 298.431 -0.064 20 0 CBADMP C[NH+](C[C@@H](O)CN1CC([N@@H+]2CC[C@@H](O)C2)C1)C1CC1 ZINC001346118220 890219200 /nfs/dbraw/zinc/21/92/00/890219200.db2.gz UTSVXJBNVFNRNE-ZIAGYGMSSA-N 2 1 269.389 -0.808 20 0 CBADMP C[NH+](C[C@@H](O)CN1CC([N@H+]2CC[C@@H](O)C2)C1)C1CC1 ZINC001346118220 890219218 /nfs/dbraw/zinc/21/92/18/890219218.db2.gz UTSVXJBNVFNRNE-ZIAGYGMSSA-N 2 1 269.389 -0.808 20 0 CBADMP C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)[C@@H]1CN(C)CCN1C ZINC001346228503 890242782 /nfs/dbraw/zinc/24/27/82/890242782.db2.gz KCGQSCPQNMIFFW-DRZSPHRISA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346228503 890242794 /nfs/dbraw/zinc/24/27/94/890242794.db2.gz KCGQSCPQNMIFFW-DRZSPHRISA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001346228503 890242808 /nfs/dbraw/zinc/24/28/08/890242808.db2.gz KCGQSCPQNMIFFW-DRZSPHRISA-N 2 1 268.405 -0.136 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C[NH3+])[C@@H]2C1 ZINC001346386014 890279657 /nfs/dbraw/zinc/27/96/57/890279657.db2.gz YXXKEWVMSBNVFB-QWQWKMKNSA-N 2 1 267.373 -0.193 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCNCC[NH2+]CC1 ZINC001346390605 890280113 /nfs/dbraw/zinc/28/01/13/890280113.db2.gz JAMFWZUULZJSQR-TZMCWYRMSA-N 2 1 295.431 -0.327 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@]3(C)C[NH2+]CCO3)[C@H]2C1 ZINC001346384815 890282338 /nfs/dbraw/zinc/28/23/38/890282338.db2.gz GJRRFIBMIQXLIM-MNXVOIDGSA-N 2 1 267.373 -0.179 20 0 CBADMP COCC[NH2+]CCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001346478892 890300524 /nfs/dbraw/zinc/30/05/24/890300524.db2.gz OIMGVZMNAYDDIL-GXTWGEPZSA-N 2 1 284.404 -0.185 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCCCC[NH+]1CCNCC1 ZINC001346538295 890319010 /nfs/dbraw/zinc/31/90/10/890319010.db2.gz OINLYSFJMYIZNH-ZIAGYGMSSA-N 2 1 297.447 -0.031 20 0 CBADMP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001448912104 913455733 /nfs/dbraw/zinc/45/57/33/913455733.db2.gz TZEWNTMGAXXBFH-NEPJUHHUSA-N 2 1 289.420 -0.588 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC001347603822 890486691 /nfs/dbraw/zinc/48/66/91/890486691.db2.gz RZHTWIXLLQQNJG-UPJWGTAASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC001347603822 890486700 /nfs/dbraw/zinc/48/67/00/890486700.db2.gz RZHTWIXLLQQNJG-UPJWGTAASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC001347603822 890486703 /nfs/dbraw/zinc/48/67/03/890486703.db2.gz RZHTWIXLLQQNJG-UPJWGTAASA-N 2 1 266.389 -0.415 20 0 CBADMP C[N@H+](CCNc1cc(N)[nH+]cn1)CCOCCO ZINC001348301469 890590323 /nfs/dbraw/zinc/59/03/23/890590323.db2.gz HBYFEOQNFDWQDK-UHFFFAOYSA-N 2 1 255.322 -0.589 20 0 CBADMP C[N@@H+](CCNc1cc(N)[nH+]cn1)CCOCCO ZINC001348301469 890590331 /nfs/dbraw/zinc/59/03/31/890590331.db2.gz HBYFEOQNFDWQDK-UHFFFAOYSA-N 2 1 255.322 -0.589 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccnn1C ZINC001448958809 913471660 /nfs/dbraw/zinc/47/16/60/913471660.db2.gz ZRXHUGNGEOWSOG-GFCCVEGCSA-N 2 1 297.403 -0.673 20 0 CBADMP C[NH+](C)CCCC(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001348647072 890672016 /nfs/dbraw/zinc/67/20/16/890672016.db2.gz AEHHEBGDCQLKBI-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)CC[NH+](C)C ZINC001449007103 913484011 /nfs/dbraw/zinc/48/40/11/913484011.db2.gz SBUMPJONOMXBCZ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C/C(=C/C(=O)NC[C@@H]1CC[N@@H+]1C)C(=O)NC[C@H]1CC[NH+]1C ZINC001349300609 890789502 /nfs/dbraw/zinc/78/95/02/890789502.db2.gz SFUHHJILIQHDMH-ZBNJQPBLSA-N 2 1 294.399 -0.427 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001349317466 890792760 /nfs/dbraw/zinc/79/27/60/890792760.db2.gz CEDBIKIVEOKYIF-ZJUUUORDSA-N 2 1 266.345 -0.747 20 0 CBADMP NC(=O)Cn1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)nn1 ZINC001349325873 890798178 /nfs/dbraw/zinc/79/81/78/890798178.db2.gz RYUGREUZFPKVOO-SNVBAGLBSA-N 2 1 266.349 -0.676 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC001349657187 890860183 /nfs/dbraw/zinc/86/01/83/890860183.db2.gz ZRRZMOPEBSAOOC-VXGBXAGGSA-N 2 1 256.394 -0.277 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC001349657183 890860587 /nfs/dbraw/zinc/86/05/87/890860587.db2.gz ZRRZMOPEBSAOOC-NEPJUHHUSA-N 2 1 256.394 -0.277 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC001349996098 890921545 /nfs/dbraw/zinc/92/15/45/890921545.db2.gz VJWBEZWKJGIDTD-WISYIIOYSA-N 2 1 282.388 -0.561 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001350029386 890923894 /nfs/dbraw/zinc/92/38/94/890923894.db2.gz RNXMQMIDIJTTJQ-SDDRHHMPSA-N 2 1 294.399 -0.560 20 0 CBADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC[NH+]1CCOCC1 ZINC001350794292 891042437 /nfs/dbraw/zinc/04/24/37/891042437.db2.gz PLGBYMJHCDVKIO-ZIAGYGMSSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC[NH+]1CCOCC1 ZINC001350794292 891042443 /nfs/dbraw/zinc/04/24/43/891042443.db2.gz PLGBYMJHCDVKIO-ZIAGYGMSSA-N 2 1 296.415 -0.787 20 0 CBADMP Cn1cc(N2CC[C@@H](N3CC[NH2+]CC[NH2+]CC3)C2=O)cn1 ZINC001350910750 891066866 /nfs/dbraw/zinc/06/68/66/891066866.db2.gz RTEPEHUYKQAVAH-CYBMUJFWSA-N 2 1 292.387 -0.980 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C[C@H]1[NH3+] ZINC001350964435 891079484 /nfs/dbraw/zinc/07/94/84/891079484.db2.gz KRPUJYVNMTWSDP-JHJVBQTASA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C[C@H]1[NH3+] ZINC001350964426 891081029 /nfs/dbraw/zinc/08/10/29/891081029.db2.gz KRPUJYVNMTWSDP-FRRDWIJNSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001351681948 891172544 /nfs/dbraw/zinc/17/25/44/891172544.db2.gz AOZCXMPUEKXMHD-LLVKDONJSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCOCC[NH+](C)C ZINC001351731722 891177704 /nfs/dbraw/zinc/17/77/04/891177704.db2.gz NKVGFVZBKRXPNO-STQMWFEESA-N 2 1 284.404 -0.931 20 0 CBADMP O=C(C(=O)N1CCC[N@H+]2CCC[C@H]2C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001351984050 891207816 /nfs/dbraw/zinc/20/78/16/891207816.db2.gz UVWBVSXEOXVFAZ-AVGNSLFASA-N 2 1 292.383 -0.744 20 0 CBADMP C[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC001352802024 891298412 /nfs/dbraw/zinc/29/84/12/891298412.db2.gz DNHOHRNXTSWXAV-LBPRGKRZSA-N 2 1 258.362 -0.427 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC001352850799 891309692 /nfs/dbraw/zinc/30/96/92/891309692.db2.gz YDLKHMSCGHIIBB-IUCAKERBSA-N 2 1 251.334 -0.094 20 0 CBADMP C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH]cn1 ZINC001449203231 913544186 /nfs/dbraw/zinc/54/41/86/913544186.db2.gz XXKRYZAOYRPDLP-DGCLKSJQSA-N 2 1 298.387 -0.526 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001353071357 891354497 /nfs/dbraw/zinc/35/44/97/891354497.db2.gz ITEOZJJOFNUJHO-NWDGAFQWSA-N 2 1 267.373 -0.177 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001353194131 891382824 /nfs/dbraw/zinc/38/28/24/891382824.db2.gz NGKWTPPNHNNWJI-JHJVBQTASA-N 2 1 296.415 -0.312 20 0 CBADMP C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001353271547 891391103 /nfs/dbraw/zinc/39/11/03/891391103.db2.gz BSLACEAFJLNBMR-UONOGXRCSA-N 3 1 270.421 -0.864 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)CNCC[NH3+])C[C@H](C)O1 ZINC001353468954 891431046 /nfs/dbraw/zinc/43/10/46/891431046.db2.gz JPGAORUJDBVBQM-TXEJJXNPSA-N 2 1 272.393 -0.850 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001353481786 891432890 /nfs/dbraw/zinc/43/28/90/891432890.db2.gz HSVLZPRLJYVOEM-OLZOCXBDSA-N 2 1 268.405 -0.262 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)C1CC1 ZINC001353509127 891436640 /nfs/dbraw/zinc/43/66/40/891436640.db2.gz WPZWBAZREGLWNI-GFCCVEGCSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1C[NH3+])C[NH+]1CCOCC1 ZINC001353517605 891440984 /nfs/dbraw/zinc/44/09/84/891440984.db2.gz IEMWOIDBRIYMIY-QJPTWQEYSA-N 2 1 255.362 -0.334 20 0 CBADMP C[C@H]1Cn2nc(C(=O)NCCCC[NH3+])cc2C[NH2+]1 ZINC001353602678 891454079 /nfs/dbraw/zinc/45/40/79/891454079.db2.gz QWFIZMDYBYNKGW-VIFPVBQESA-N 2 1 251.334 -0.157 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N(C)C3CC([NH3+])C3)cc2C[NH2+]1 ZINC001353654175 891456400 /nfs/dbraw/zinc/45/64/00/891456400.db2.gz HRYSPESKSCWLNR-XNWIYYODSA-N 2 1 263.345 -0.064 20 0 CBADMP O[C@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001353942252 891491102 /nfs/dbraw/zinc/49/11/02/891491102.db2.gz ASMIXXDOWBPNES-PWSUYJOCSA-N 2 1 251.334 -0.231 20 0 CBADMP O[C@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001353942252 891491112 /nfs/dbraw/zinc/49/11/12/891491112.db2.gz ASMIXXDOWBPNES-PWSUYJOCSA-N 2 1 251.334 -0.231 20 0 CBADMP C[C@H]([NH3+])CONC(=O)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC001354073684 891510283 /nfs/dbraw/zinc/51/02/83/891510283.db2.gz KVXRJJYLRVVJFP-JGVFFNPUSA-N 2 1 253.306 -0.505 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])[C@H]2C1 ZINC001356414312 891756090 /nfs/dbraw/zinc/75/60/90/891756090.db2.gz XMYLEUZOHUASNY-KKJSVHSVSA-N 2 1 253.346 -0.441 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001356438505 891759306 /nfs/dbraw/zinc/75/93/06/891759306.db2.gz PPDPVMREUWOLFL-FDYHWXHSSA-N 2 1 294.399 -0.417 20 0 CBADMP C[C@H]1Cn2nc(C(=O)NCC[NH2+]C3CC3)cc2C[NH2+]1 ZINC001356499615 891773569 /nfs/dbraw/zinc/77/35/69/891773569.db2.gz SVMLLFBIDFXXCF-VIFPVBQESA-N 2 1 263.345 -0.143 20 0 CBADMP CC[N@@H+](CCNC(=O)N1CCNCC[NH2+]CC1)C(C)C ZINC001356609056 891782557 /nfs/dbraw/zinc/78/25/57/891782557.db2.gz BIGQFPVBMSSEFS-UHFFFAOYSA-N 2 1 285.436 -0.079 20 0 CBADMP CN1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC001357165718 891855196 /nfs/dbraw/zinc/85/51/96/891855196.db2.gz HOFSEASGLOZDJG-CMPLNLGQSA-N 2 1 255.362 -0.348 20 0 CBADMP CN1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1=O ZINC001357165718 891855187 /nfs/dbraw/zinc/85/51/87/891855187.db2.gz HOFSEASGLOZDJG-CMPLNLGQSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)CC1 ZINC001357151566 891856536 /nfs/dbraw/zinc/85/65/36/891856536.db2.gz VTPRBDXSPRJZBV-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP [NH3+]CC1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC(O)C1 ZINC001357361036 891870661 /nfs/dbraw/zinc/87/06/61/891870661.db2.gz BJSBYRASTFIWSG-PWQPVHBWSA-N 2 1 267.373 -0.313 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001357362307 891874214 /nfs/dbraw/zinc/87/42/14/891874214.db2.gz QBYRENAOOBLAKN-RNJOBUHISA-N 2 1 269.389 -0.054 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001357362308 891876033 /nfs/dbraw/zinc/87/60/33/891876033.db2.gz QBYRENAOOBLAKN-RVMXOQNASA-N 2 1 269.389 -0.054 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001357374483 891879628 /nfs/dbraw/zinc/87/96/28/891879628.db2.gz CJBSUMDNEIRVEX-MBNYWOFBSA-N 2 1 269.389 -0.054 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CNCC[NH3+])C[C@@H]1C ZINC001357414087 891888864 /nfs/dbraw/zinc/88/88/64/891888864.db2.gz LLAJFHHCKKFGSO-NWDGAFQWSA-N 2 1 256.394 -0.134 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)CNCC[NH3+])C[C@H]1C ZINC001357414084 891890121 /nfs/dbraw/zinc/89/01/21/891890121.db2.gz LLAJFHHCKKFGSO-NEPJUHHUSA-N 2 1 256.394 -0.134 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)CNCC[NH3+])C[C@@H]1C ZINC001357414089 891891531 /nfs/dbraw/zinc/89/15/31/891891531.db2.gz LLAJFHHCKKFGSO-RYUDHWBXSA-N 2 1 256.394 -0.134 20 0 CBADMP O=C(NCCCCC[NH+]1CCNCC1)N[C@H]1CC[NH2+]C1 ZINC001357514981 891906228 /nfs/dbraw/zinc/90/62/28/891906228.db2.gz KYZHLFYBQYIKLD-ZDUSSCGKSA-N 2 1 283.420 -0.277 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH2+]C[C@@H]1CO ZINC001358026575 891956928 /nfs/dbraw/zinc/95/69/28/891956928.db2.gz HINGRGMWEXUAHQ-GRYCIOLGSA-N 2 1 255.362 -0.348 20 0 CBADMP O=C([C@H]1CC[NH2+]1)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001358178046 891979470 /nfs/dbraw/zinc/97/94/70/891979470.db2.gz VQZXOAMQBRCBLZ-ZWNOBZJWSA-N 2 1 261.329 -0.655 20 0 CBADMP C[C@@H](CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001361832222 892268314 /nfs/dbraw/zinc/26/83/14/892268314.db2.gz HGSFJNWDIIZMIM-QWHCGFSZSA-N 2 1 270.421 -0.064 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001362282778 892566505 /nfs/dbraw/zinc/56/65/05/892566505.db2.gz GIXZZAGOTUGLCY-STQMWFEESA-N 2 1 286.395 -0.218 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001362282778 892566509 /nfs/dbraw/zinc/56/65/09/892566509.db2.gz GIXZZAGOTUGLCY-STQMWFEESA-N 2 1 286.395 -0.218 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001362282778 892566512 /nfs/dbraw/zinc/56/65/12/892566512.db2.gz GIXZZAGOTUGLCY-STQMWFEESA-N 2 1 286.395 -0.218 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001362661989 892896559 /nfs/dbraw/zinc/89/65/59/892896559.db2.gz KTCHLPFMKASGLP-STQMWFEESA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](F)C2)CC1 ZINC001362661989 892896576 /nfs/dbraw/zinc/89/65/76/892896576.db2.gz KTCHLPFMKASGLP-STQMWFEESA-N 2 1 287.379 -0.055 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001362832819 893084596 /nfs/dbraw/zinc/08/45/96/893084596.db2.gz WNQKXAVQOPNLAJ-QWHCGFSZSA-N 2 1 278.356 -0.141 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001362832819 893084619 /nfs/dbraw/zinc/08/46/19/893084619.db2.gz WNQKXAVQOPNLAJ-QWHCGFSZSA-N 2 1 278.356 -0.141 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)C1 ZINC001362971180 893217958 /nfs/dbraw/zinc/21/79/58/893217958.db2.gz PRAMWKQKQLKQHY-IHRRRGAJSA-N 2 1 280.416 -0.025 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001362990583 893238730 /nfs/dbraw/zinc/23/87/30/893238730.db2.gz KWVQPSBGIZUHFT-YPMHNXCESA-N 2 1 283.372 -0.704 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001362990583 893238744 /nfs/dbraw/zinc/23/87/44/893238744.db2.gz KWVQPSBGIZUHFT-YPMHNXCESA-N 2 1 283.372 -0.704 20 0 CBADMP C[C@@H](C(=O)N1CC([NH2+][C@@H]2CCOC2)C1)N1CC[NH+](C)CC1 ZINC001362991187 893239791 /nfs/dbraw/zinc/23/97/91/893239791.db2.gz LPWOXCBJLASTLZ-QWHCGFSZSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@@H]1CN(CC(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC001363226683 893477367 /nfs/dbraw/zinc/47/73/67/893477367.db2.gz WXMJVMMTBBTRHX-CYBMUJFWSA-N 2 1 298.431 -0.805 20 0 CBADMP C[C@@H]1CN(CC(=O)NC2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC001363226683 893477374 /nfs/dbraw/zinc/47/73/74/893477374.db2.gz WXMJVMMTBBTRHX-CYBMUJFWSA-N 2 1 298.431 -0.805 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001363371797 893621244 /nfs/dbraw/zinc/62/12/44/893621244.db2.gz QXHCNQHDPZUZJV-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)C1 ZINC001363371797 893621251 /nfs/dbraw/zinc/62/12/51/893621251.db2.gz QXHCNQHDPZUZJV-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)C1 ZINC001363371797 893621258 /nfs/dbraw/zinc/62/12/58/893621258.db2.gz QXHCNQHDPZUZJV-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@H]2CC[NH+](C)[C@H]2C1 ZINC001364207322 894253471 /nfs/dbraw/zinc/25/34/71/894253471.db2.gz BCMMRRMSRZOMQH-MCIONIFRSA-N 2 1 295.431 -0.422 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001364207322 894253489 /nfs/dbraw/zinc/25/34/89/894253489.db2.gz BCMMRRMSRZOMQH-MCIONIFRSA-N 2 1 295.431 -0.422 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001364207322 894253508 /nfs/dbraw/zinc/25/35/08/894253508.db2.gz BCMMRRMSRZOMQH-MCIONIFRSA-N 2 1 295.431 -0.422 20 0 CBADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)C(C)(C)O)CC2)C1 ZINC001364361398 894361293 /nfs/dbraw/zinc/36/12/93/894361293.db2.gz ZKSMWKYWJSJCBF-UONOGXRCSA-N 2 1 285.432 -0.170 20 0 CBADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)C(C)(C)O)CC2)C1 ZINC001364361393 894361463 /nfs/dbraw/zinc/36/14/63/894361463.db2.gz ZKSMWKYWJSJCBF-KBPBESRZSA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)S(C)(=O)=O ZINC001364381686 894376948 /nfs/dbraw/zinc/37/69/48/894376948.db2.gz MOVXMKUZAFGHHT-CYBMUJFWSA-N 2 1 291.461 -0.011 20 0 CBADMP C[C@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)S(C)(=O)=O ZINC001364381686 894376969 /nfs/dbraw/zinc/37/69/69/894376969.db2.gz MOVXMKUZAFGHHT-CYBMUJFWSA-N 2 1 291.461 -0.011 20 0 CBADMP C[C@@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)S(C)(=O)=O ZINC001364381688 894377595 /nfs/dbraw/zinc/37/75/95/894377595.db2.gz MOVXMKUZAFGHHT-ZDUSSCGKSA-N 2 1 291.461 -0.011 20 0 CBADMP C[C@@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)S(C)(=O)=O ZINC001364381688 894377611 /nfs/dbraw/zinc/37/76/11/894377611.db2.gz MOVXMKUZAFGHHT-ZDUSSCGKSA-N 2 1 291.461 -0.011 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C2(C(N)=O)CC2)CC1 ZINC001364378655 894379445 /nfs/dbraw/zinc/37/94/45/894379445.db2.gz YJSLGVJLWLLHJC-UHFFFAOYSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@@H](O)[C@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001364388749 894383985 /nfs/dbraw/zinc/38/39/85/894383985.db2.gz ZSMGSENVITTZRE-QWHCGFSZSA-N 2 1 272.389 -0.085 20 0 CBADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)C[C@H](C)[N@@H+]1CCO ZINC001364426715 894411761 /nfs/dbraw/zinc/41/17/61/894411761.db2.gz RIRAASZIXVWEPK-GUTXKFCHSA-N 2 1 285.432 -0.172 20 0 CBADMP C[N@H+](CCn1cnnc1)CC(=O)NC1CC[NH+](C)CC1 ZINC001364488170 894453005 /nfs/dbraw/zinc/45/30/05/894453005.db2.gz BIFWFBJNLVJPJK-UHFFFAOYSA-N 2 1 280.376 -0.580 20 0 CBADMP C[N@@H+](CCn1cnnc1)CC(=O)NC1CC[NH+](C)CC1 ZINC001364488170 894453012 /nfs/dbraw/zinc/45/30/12/894453012.db2.gz BIFWFBJNLVJPJK-UHFFFAOYSA-N 2 1 280.376 -0.580 20 0 CBADMP Cc1[nH+]ccn1CCC[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001364530338 894480866 /nfs/dbraw/zinc/48/08/66/894480866.db2.gz NCHNHGJJGSMKJX-OAHLLOKOSA-N 2 1 294.399 -0.039 20 0 CBADMP Cc1[nH+]ccn1CCC[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001364530338 894480871 /nfs/dbraw/zinc/48/08/71/894480871.db2.gz NCHNHGJJGSMKJX-OAHLLOKOSA-N 2 1 294.399 -0.039 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001364944122 894693086 /nfs/dbraw/zinc/69/30/86/894693086.db2.gz DDVSECIBCUUDFJ-JSGCOSHPSA-N 2 1 281.400 -0.147 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001365121650 894769959 /nfs/dbraw/zinc/76/99/59/894769959.db2.gz LXMIMFNODUEYAH-NFAWXSAZSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC001365193137 894808139 /nfs/dbraw/zinc/80/81/39/894808139.db2.gz GOPQPPBAIJEBSY-CQSZACIVSA-N 2 1 298.431 -0.803 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC001365193137 894808156 /nfs/dbraw/zinc/80/81/56/894808156.db2.gz GOPQPPBAIJEBSY-CQSZACIVSA-N 2 1 298.431 -0.803 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C(C)(C)C(N)=O ZINC001365303338 894884343 /nfs/dbraw/zinc/88/43/43/894884343.db2.gz PTTHWUXBFOFBFR-UHFFFAOYSA-N 2 1 270.377 -0.654 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C(C)(C)C(N)=O ZINC001365303338 894884356 /nfs/dbraw/zinc/88/43/56/894884356.db2.gz PTTHWUXBFOFBFR-UHFFFAOYSA-N 2 1 270.377 -0.654 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001365707681 895096718 /nfs/dbraw/zinc/09/67/18/895096718.db2.gz LTYUKNQEVLYOSG-NEPJUHHUSA-N 2 1 275.418 -0.096 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940029 895143876 /nfs/dbraw/zinc/14/38/76/895143876.db2.gz NIDGTAOFNNIFRV-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001365971796 895158451 /nfs/dbraw/zinc/15/84/51/895158451.db2.gz BTOAMAPYFAITIS-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001365971796 895158455 /nfs/dbraw/zinc/15/84/55/895158455.db2.gz BTOAMAPYFAITIS-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001365993653 895164754 /nfs/dbraw/zinc/16/47/54/895164754.db2.gz ASGDKUFWVHUKIA-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001365993653 895164767 /nfs/dbraw/zinc/16/47/67/895164767.db2.gz ASGDKUFWVHUKIA-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001365993653 895164780 /nfs/dbraw/zinc/16/47/80/895164780.db2.gz ASGDKUFWVHUKIA-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001365993653 895164789 /nfs/dbraw/zinc/16/47/89/895164789.db2.gz ASGDKUFWVHUKIA-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001366001844 895172170 /nfs/dbraw/zinc/17/21/70/895172170.db2.gz GBRAJSANPKDAGH-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N(C)C)C2)CC[N@H+]1C ZINC001366091082 895188313 /nfs/dbraw/zinc/18/83/13/895188313.db2.gz BKIIVPRYCOPMOR-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001366101248 895191993 /nfs/dbraw/zinc/19/19/93/895191993.db2.gz GQDDRBWVIFPFNT-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001366114051 895196583 /nfs/dbraw/zinc/19/65/83/895196583.db2.gz ACARQWULGIABFD-AVGNSLFASA-N 2 1 296.415 -0.156 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)n1 ZINC001366117796 895196962 /nfs/dbraw/zinc/19/69/62/895196962.db2.gz BOIVYFGHAZHNMY-HAQNSBGRSA-N 2 1 294.403 -0.106 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001366131139 895200579 /nfs/dbraw/zinc/20/05/79/895200579.db2.gz MNQVZXYUVSGPFA-XYPYZODXSA-N 2 1 270.377 -0.691 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001366137098 895202002 /nfs/dbraw/zinc/20/20/02/895202002.db2.gz NSCGDHZJLBMEQO-IJLUTSLNSA-N 2 1 284.404 -0.301 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001366156306 895209482 /nfs/dbraw/zinc/20/94/82/895209482.db2.gz LNGUUDRKTYDDBQ-FRRDWIJNSA-N 2 1 296.371 -0.564 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001366168267 895214152 /nfs/dbraw/zinc/21/41/52/895214152.db2.gz ZZESWDAPABHHAL-WUHRBBMRSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(=O)N1CCC1 ZINC001366291231 895263631 /nfs/dbraw/zinc/26/36/31/895263631.db2.gz VSQDATUOZNGETD-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001366304762 895267094 /nfs/dbraw/zinc/26/70/94/895267094.db2.gz QGMFTWKAECBSLT-LLVKDONJSA-N 2 1 293.371 -0.482 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001366330578 895278962 /nfs/dbraw/zinc/27/89/62/895278962.db2.gz USNWPUQQPHYANG-ZJUUUORDSA-N 2 1 283.380 -0.855 20 0 CBADMP CCN(CC)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001366358129 895289595 /nfs/dbraw/zinc/28/95/95/895289595.db2.gz NDMVLYQSBKAZDL-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001366436684 895320776 /nfs/dbraw/zinc/32/07/76/895320776.db2.gz ATIYYJOSZLQVOE-GHMZBOCLSA-N 2 1 295.391 -0.711 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC1CCOCC1 ZINC001366520615 895352601 /nfs/dbraw/zinc/35/26/01/895352601.db2.gz HKKXOFHXTWEJEV-AWEZNQCLSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC1CCOCC1 ZINC001366520615 895352614 /nfs/dbraw/zinc/35/26/14/895352614.db2.gz HKKXOFHXTWEJEV-AWEZNQCLSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC1CCOCC1 ZINC001366520615 895352633 /nfs/dbraw/zinc/35/26/33/895352633.db2.gz HKKXOFHXTWEJEV-AWEZNQCLSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC1CCOCC1 ZINC001366520615 895352642 /nfs/dbraw/zinc/35/26/42/895352642.db2.gz HKKXOFHXTWEJEV-AWEZNQCLSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC(N)=O ZINC001366535928 895363607 /nfs/dbraw/zinc/36/36/07/895363607.db2.gz IBRMRLUYROWXPM-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001366547378 895371615 /nfs/dbraw/zinc/37/16/15/895371615.db2.gz XONMOGAXIWVYBY-UHFFFAOYSA-N 2 1 289.339 -0.079 20 0 CBADMP C[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CCNC1=O ZINC001366562952 895384509 /nfs/dbraw/zinc/38/45/09/895384509.db2.gz HKNVSUZPGCVMKB-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CCNC1=O ZINC001366562952 895384525 /nfs/dbraw/zinc/38/45/25/895384525.db2.gz HKNVSUZPGCVMKB-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH+](CC(=O)NCC[N@H+](C)[C@H]1CCNC1=O)CC(C)(C)C ZINC001366562952 895384537 /nfs/dbraw/zinc/38/45/37/895384537.db2.gz HKNVSUZPGCVMKB-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH+](CC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O)CC(C)(C)C ZINC001366562952 895384552 /nfs/dbraw/zinc/38/45/52/895384552.db2.gz HKNVSUZPGCVMKB-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001366570002 895392514 /nfs/dbraw/zinc/39/25/14/895392514.db2.gz IBIABZNBQGCTMC-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001366570002 895392530 /nfs/dbraw/zinc/39/25/30/895392530.db2.gz IBIABZNBQGCTMC-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@H+](C)[C@H]1CCCNC1=O)[NH+](C)C ZINC001366584627 895399785 /nfs/dbraw/zinc/39/97/85/895399785.db2.gz NAKZJEQQUXJHGE-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O)[NH+](C)C ZINC001366584627 895399801 /nfs/dbraw/zinc/39/98/01/895399801.db2.gz NAKZJEQQUXJHGE-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)[C@@H]1CCCNC1=O ZINC001366628982 895412674 /nfs/dbraw/zinc/41/26/74/895412674.db2.gz FREVKXGPKIKRFD-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)[C@H](C)C(N)=O ZINC001366644761 895418610 /nfs/dbraw/zinc/41/86/10/895418610.db2.gz QZIPUTOAGCZNHO-LLVKDONJSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)[C@H](C)C(N)=O ZINC001366644761 895418613 /nfs/dbraw/zinc/41/86/13/895418613.db2.gz QZIPUTOAGCZNHO-LLVKDONJSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)[C@H](C)C(N)=O ZINC001366644761 895418619 /nfs/dbraw/zinc/41/86/19/895418619.db2.gz QZIPUTOAGCZNHO-LLVKDONJSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C(N)=O ZINC001366644761 895418625 /nfs/dbraw/zinc/41/86/25/895418625.db2.gz QZIPUTOAGCZNHO-LLVKDONJSA-N 2 1 272.393 -0.362 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001366688241 895431965 /nfs/dbraw/zinc/43/19/65/895431965.db2.gz IXFVGSUDUWHVQP-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001366779042 895461544 /nfs/dbraw/zinc/46/15/44/895461544.db2.gz QRVVWMXKYCZMMJ-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@@H]2CCNC2=O)C1 ZINC001366913105 895483982 /nfs/dbraw/zinc/48/39/82/895483982.db2.gz UPDCRKXDUABRIH-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@@H]2CCNC2=O)C1 ZINC001366913105 895483989 /nfs/dbraw/zinc/48/39/89/895483989.db2.gz UPDCRKXDUABRIH-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001366913105 895483995 /nfs/dbraw/zinc/48/39/95/895483995.db2.gz UPDCRKXDUABRIH-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001366913105 895484001 /nfs/dbraw/zinc/48/40/01/895484001.db2.gz UPDCRKXDUABRIH-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001366970625 895513362 /nfs/dbraw/zinc/51/33/62/895513362.db2.gz DOLXYDROGISXKB-QWHCGFSZSA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001366997154 895521044 /nfs/dbraw/zinc/52/10/44/895521044.db2.gz PKNBBYAWMCXTGV-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001367006015 895524052 /nfs/dbraw/zinc/52/40/52/895524052.db2.gz DVLRSURKGRJMRR-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001367006015 895524059 /nfs/dbraw/zinc/52/40/59/895524059.db2.gz DVLRSURKGRJMRR-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001367006015 895524065 /nfs/dbraw/zinc/52/40/65/895524065.db2.gz DVLRSURKGRJMRR-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001367009111 895524107 /nfs/dbraw/zinc/52/41/07/895524107.db2.gz OKNOCWXPLOUQIV-SDDRHHMPSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001367009111 895524111 /nfs/dbraw/zinc/52/41/11/895524111.db2.gz OKNOCWXPLOUQIV-SDDRHHMPSA-N 2 1 284.404 -0.348 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001367011162 895524477 /nfs/dbraw/zinc/52/44/77/895524477.db2.gz IWNMIWWFROBICA-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001367011162 895524486 /nfs/dbraw/zinc/52/44/86/895524486.db2.gz IWNMIWWFROBICA-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001367011162 895524493 /nfs/dbraw/zinc/52/44/93/895524493.db2.gz IWNMIWWFROBICA-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001367011162 895524500 /nfs/dbraw/zinc/52/45/00/895524500.db2.gz IWNMIWWFROBICA-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001367015380 895531254 /nfs/dbraw/zinc/53/12/54/895531254.db2.gz BRODZRFFZHFDGE-RDBSUJKOSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001367015380 895531264 /nfs/dbraw/zinc/53/12/64/895531264.db2.gz BRODZRFFZHFDGE-RDBSUJKOSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001367015380 895531275 /nfs/dbraw/zinc/53/12/75/895531275.db2.gz BRODZRFFZHFDGE-RDBSUJKOSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001367027064 895538126 /nfs/dbraw/zinc/53/81/26/895538126.db2.gz ZOHSGLNQECALCL-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001367027064 895538136 /nfs/dbraw/zinc/53/81/36/895538136.db2.gz ZOHSGLNQECALCL-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001367027064 895538150 /nfs/dbraw/zinc/53/81/50/895538150.db2.gz ZOHSGLNQECALCL-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001367027064 895538161 /nfs/dbraw/zinc/53/81/61/895538161.db2.gz ZOHSGLNQECALCL-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001367034402 895543759 /nfs/dbraw/zinc/54/37/59/895543759.db2.gz AAJHKJZVKCYBKU-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001367034402 895543766 /nfs/dbraw/zinc/54/37/66/895543766.db2.gz AAJHKJZVKCYBKU-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001367034402 895543774 /nfs/dbraw/zinc/54/37/74/895543774.db2.gz AAJHKJZVKCYBKU-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001367053613 895547189 /nfs/dbraw/zinc/54/71/89/895547189.db2.gz BNALZKSMFLZSPF-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001367053613 895547202 /nfs/dbraw/zinc/54/72/02/895547202.db2.gz BNALZKSMFLZSPF-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NC ZINC001367106311 895565856 /nfs/dbraw/zinc/56/58/56/895565856.db2.gz SGOPRTVOIYDJPI-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]C[C@H](C)O ZINC001367123002 895570566 /nfs/dbraw/zinc/57/05/66/895570566.db2.gz JSPBIOFGCWWIGJ-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP CC[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]C[C@@H](C)O ZINC001367122998 895571109 /nfs/dbraw/zinc/57/11/09/895571109.db2.gz JSPBIOFGCWWIGJ-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001367128809 895571759 /nfs/dbraw/zinc/57/17/59/895571759.db2.gz RTXDFRZHGYOVAW-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cn(C)nn1 ZINC001367142863 895574163 /nfs/dbraw/zinc/57/41/63/895574163.db2.gz QYXPECQZTBNUPC-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1 ZINC001367157894 895577510 /nfs/dbraw/zinc/57/75/10/895577510.db2.gz KYTJAICEOBYEIC-GFCCVEGCSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1 ZINC001367157895 895578444 /nfs/dbraw/zinc/57/84/44/895578444.db2.gz KYTJAICEOBYEIC-LBPRGKRZSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1nnnn1C ZINC001367231387 895588533 /nfs/dbraw/zinc/58/85/33/895588533.db2.gz DYGZOFVUWRTPPJ-GHMZBOCLSA-N 2 1 295.391 -0.854 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367280548 895602942 /nfs/dbraw/zinc/60/29/42/895602942.db2.gz AIYLUISJXJLLKZ-STQMWFEESA-N 2 1 298.431 -0.195 20 0 CBADMP CC[C@H]([NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001367291430 895605165 /nfs/dbraw/zinc/60/51/65/895605165.db2.gz WAGLHKJSBXZZPC-JQWIXIFHSA-N 2 1 295.387 -0.203 20 0 CBADMP C[C@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001367365538 895625874 /nfs/dbraw/zinc/62/58/74/895625874.db2.gz ZCGZBRYYBWZOLH-DGCLKSJQSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367409489 895631974 /nfs/dbraw/zinc/63/19/74/895631974.db2.gz CCMQPIAPEGAGRP-NWDGAFQWSA-N 2 1 284.404 -0.314 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001367407912 895632047 /nfs/dbraw/zinc/63/20/47/895632047.db2.gz SUNSXLVAMGDFMM-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367406826 895632166 /nfs/dbraw/zinc/63/21/66/895632166.db2.gz QQLKTVLBASJIMM-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C(C)C)CC[N@H+]1C ZINC001367464957 895639605 /nfs/dbraw/zinc/63/96/05/895639605.db2.gz MBYFZGZKFVGPNW-RWMBFGLXSA-N 2 1 298.431 -0.068 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@H]1CCNC1=O ZINC001367547938 895659929 /nfs/dbraw/zinc/65/99/29/895659929.db2.gz RQAXLNVJARWFSM-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@H]1CCNC1=O ZINC001367547938 895659938 /nfs/dbraw/zinc/65/99/38/895659938.db2.gz RQAXLNVJARWFSM-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O ZINC001367547938 895659951 /nfs/dbraw/zinc/65/99/51/895659951.db2.gz RQAXLNVJARWFSM-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O ZINC001367547938 895659959 /nfs/dbraw/zinc/65/99/59/895659959.db2.gz RQAXLNVJARWFSM-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(C)on1)[NH+](C)C ZINC001367591707 895688916 /nfs/dbraw/zinc/68/89/16/895688916.db2.gz CMRHGIRZVBTSGP-CHWSQXEVSA-N 2 1 298.387 -0.110 20 0 CBADMP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nocc1C)[NH+](C)C ZINC001367595045 895691967 /nfs/dbraw/zinc/69/19/67/895691967.db2.gz TWICMBHKYBZLKT-DGCLKSJQSA-N 2 1 298.387 -0.110 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(C)on1)[NH+](C)C ZINC001367613531 895704532 /nfs/dbraw/zinc/70/45/32/895704532.db2.gz CMRHGIRZVBTSGP-OLZOCXBDSA-N 2 1 298.387 -0.110 20 0 CBADMP CO[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001367629505 895714236 /nfs/dbraw/zinc/71/42/36/895714236.db2.gz XAXGCPOAMXYSBH-JQWIXIFHSA-N 2 1 284.360 -0.707 20 0 CBADMP COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001367629772 895714969 /nfs/dbraw/zinc/71/49/69/895714969.db2.gz YJMQMLQQDUBLSI-ZYHUDNBSSA-N 2 1 284.360 -0.707 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367681860 895746233 /nfs/dbraw/zinc/74/62/33/895746233.db2.gz AZULSTDOUIMRQY-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001367771484 895802455 /nfs/dbraw/zinc/80/24/55/895802455.db2.gz IXGUOAJBTLZWQZ-GXSJLCMTSA-N 2 1 279.344 -0.826 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367852319 895836180 /nfs/dbraw/zinc/83/61/80/895836180.db2.gz RPWPGKOPJJHWPB-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367852319 895836189 /nfs/dbraw/zinc/83/61/89/895836189.db2.gz RPWPGKOPJJHWPB-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)CC[N@H+]1C ZINC001367907060 895849769 /nfs/dbraw/zinc/84/97/69/895849769.db2.gz LGSUTZWKPGVJAB-WCFLWFBJSA-N 2 1 296.415 -0.314 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001367897862 895850986 /nfs/dbraw/zinc/85/09/86/895850986.db2.gz SZNLPAMKKVZPCF-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@@H+](CC(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1)C1CCC1 ZINC001368002255 895888178 /nfs/dbraw/zinc/88/81/78/895888178.db2.gz FVDYWZQPKGWHMP-LBPRGKRZSA-N 2 1 294.399 -0.402 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC(N)=O)CC1 ZINC001368206985 895932891 /nfs/dbraw/zinc/93/28/91/895932891.db2.gz KXFFLEMYYAELEG-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC3CC3)C2)C1 ZINC001368244829 895940116 /nfs/dbraw/zinc/94/01/16/895940116.db2.gz FXYPYYDVJRNRRH-UKRRQHHQSA-N 2 1 297.399 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC3CC3)C2)C1 ZINC001368244829 895940130 /nfs/dbraw/zinc/94/01/30/895940130.db2.gz FXYPYYDVJRNRRH-UKRRQHHQSA-N 2 1 297.399 -0.720 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CC3CC3)C2)C1 ZINC001368244829 895940145 /nfs/dbraw/zinc/94/01/45/895940145.db2.gz FXYPYYDVJRNRRH-UKRRQHHQSA-N 2 1 297.399 -0.720 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CC3CC3)C2)C1 ZINC001368244829 895940156 /nfs/dbraw/zinc/94/01/56/895940156.db2.gz FXYPYYDVJRNRRH-UKRRQHHQSA-N 2 1 297.399 -0.720 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001368266501 895953744 /nfs/dbraw/zinc/95/37/44/895953744.db2.gz NLHKSGSFIBIIGN-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001368266501 895953754 /nfs/dbraw/zinc/95/37/54/895953754.db2.gz NLHKSGSFIBIIGN-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001368266501 895953767 /nfs/dbraw/zinc/95/37/67/895953767.db2.gz NLHKSGSFIBIIGN-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CCCO)C1 ZINC001368277068 895958799 /nfs/dbraw/zinc/95/87/99/895958799.db2.gz ISGSOSZOEGVMNP-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001368277068 895958809 /nfs/dbraw/zinc/95/88/09/895958809.db2.gz ISGSOSZOEGVMNP-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001368277068 895958815 /nfs/dbraw/zinc/95/88/15/895958815.db2.gz ISGSOSZOEGVMNP-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001368395222 895997927 /nfs/dbraw/zinc/99/79/27/895997927.db2.gz BMDHNOAAPVEFSA-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001368395222 895997937 /nfs/dbraw/zinc/99/79/37/895997937.db2.gz BMDHNOAAPVEFSA-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001368452759 896013315 /nfs/dbraw/zinc/01/33/15/896013315.db2.gz XZAJCDGRIWFIMO-GFCCVEGCSA-N 2 1 293.371 -0.352 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC(N)=O)CCC2)C1 ZINC001368486490 896017933 /nfs/dbraw/zinc/01/79/33/896017933.db2.gz MRAUJDFUBSFGDA-LLVKDONJSA-N 2 1 282.388 -0.558 20 0 CBADMP Cn1cnnc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001368489364 896019312 /nfs/dbraw/zinc/01/93/12/896019312.db2.gz OTUJJSTYHZLPLY-UHFFFAOYSA-N 2 1 294.403 -0.105 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC(N)=O)CCC2)C1 ZINC001368486492 896020311 /nfs/dbraw/zinc/02/03/11/896020311.db2.gz MRAUJDFUBSFGDA-NSHDSACASA-N 2 1 282.388 -0.558 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001368496310 896023219 /nfs/dbraw/zinc/02/32/19/896023219.db2.gz IQRSXJLTYSCDIV-UHFFFAOYSA-N 2 1 284.404 -0.299 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001368568395 896039390 /nfs/dbraw/zinc/03/93/90/896039390.db2.gz WIQRQAHEHSAYNH-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001368568395 896039399 /nfs/dbraw/zinc/03/93/99/896039399.db2.gz WIQRQAHEHSAYNH-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001368568395 896039410 /nfs/dbraw/zinc/03/94/10/896039410.db2.gz WIQRQAHEHSAYNH-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001368609298 896045413 /nfs/dbraw/zinc/04/54/13/896045413.db2.gz RCCDOZNCXDJAAF-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001368631536 896050920 /nfs/dbraw/zinc/05/09/20/896050920.db2.gz NXOGVTFIKWKMSB-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NCC)C1 ZINC001368663834 896055917 /nfs/dbraw/zinc/05/59/17/896055917.db2.gz FLKGJCMWBGHELY-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001368730380 896071097 /nfs/dbraw/zinc/07/10/97/896071097.db2.gz RCJILWMVOFKRNX-SDDRHHMPSA-N 2 1 284.404 -0.301 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001368746377 896075635 /nfs/dbraw/zinc/07/56/35/896075635.db2.gz BEWZRQRUOORXQR-JTQLQIEISA-N 2 1 281.360 -0.578 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001368780904 896079610 /nfs/dbraw/zinc/07/96/10/896079610.db2.gz HAWYNZMVIPFHQI-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCO)[C@@H]1C ZINC001368796846 896082847 /nfs/dbraw/zinc/08/28/47/896082847.db2.gz JCFASOGHRWEPHX-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001368817903 896090149 /nfs/dbraw/zinc/09/01/49/896090149.db2.gz HEMJKXZXLXIWNV-VOMCLLRMSA-N 2 1 282.388 -0.702 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001368825215 896090739 /nfs/dbraw/zinc/09/07/39/896090739.db2.gz KVSIGGJBEHOAAX-PNESKVBLSA-N 2 1 298.431 -0.055 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)[NH+](C)C ZINC001368959146 896122653 /nfs/dbraw/zinc/12/26/53/896122653.db2.gz IYOVSPKIRKAZNA-JQWIXIFHSA-N 2 1 272.393 -0.506 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001368959146 896122658 /nfs/dbraw/zinc/12/26/58/896122658.db2.gz IYOVSPKIRKAZNA-JQWIXIFHSA-N 2 1 272.393 -0.506 20 0 CBADMP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@@H+](C)[C@H]1CCNC1=O ZINC001368971121 896124123 /nfs/dbraw/zinc/12/41/23/896124123.db2.gz CQMPEZUXUWYVNH-YPMHNXCESA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001369074991 896147810 /nfs/dbraw/zinc/14/78/10/896147810.db2.gz MSHCEZOALXQOTO-WCQYABFASA-N 2 1 298.431 -0.149 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001369358022 896234170 /nfs/dbraw/zinc/23/41/70/896234170.db2.gz AXGLFNLEOTYMIL-RYUDHWBXSA-N 2 1 298.387 -0.110 20 0 CBADMP CCC[NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001369360555 896238414 /nfs/dbraw/zinc/23/84/14/896238414.db2.gz FBXMWYNKMNBBGJ-GFCCVEGCSA-N 2 1 273.377 -0.815 20 0 CBADMP Cc1oncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369389947 896254754 /nfs/dbraw/zinc/25/47/54/896254754.db2.gz YLUAQIPXLJTZKE-AAEUAGOBSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1oncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001369389947 896254768 /nfs/dbraw/zinc/25/47/68/896254768.db2.gz YLUAQIPXLJTZKE-AAEUAGOBSA-N 2 1 296.371 -0.499 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]C(C)C)C1 ZINC001369493610 896298224 /nfs/dbraw/zinc/29/82/24/896298224.db2.gz YHUQPLTYOWQEEH-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]C(C)C)C1 ZINC001369493610 896298237 /nfs/dbraw/zinc/29/82/37/896298237.db2.gz YHUQPLTYOWQEEH-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369515420 896306908 /nfs/dbraw/zinc/30/69/08/896306908.db2.gz NUZONPIMRJEXKP-STQMWFEESA-N 2 1 287.404 -0.786 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001369553767 896317313 /nfs/dbraw/zinc/31/73/13/896317313.db2.gz LZGDQTSUOMPMHH-NSHDSACASA-N 2 1 286.420 -0.066 20 0 CBADMP COCC[N@@H+](CCO)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001369550216 896319841 /nfs/dbraw/zinc/31/98/41/896319841.db2.gz IFVVWKVZPFIXIT-CQSZACIVSA-N 2 1 299.415 -0.615 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001370016690 896385545 /nfs/dbraw/zinc/38/55/45/896385545.db2.gz MJIMVNLMANILIU-XQQFMLRXSA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001370045943 896393197 /nfs/dbraw/zinc/39/31/97/896393197.db2.gz OIVCSHFRTJEEEY-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001370045943 896393213 /nfs/dbraw/zinc/39/32/13/896393213.db2.gz OIVCSHFRTJEEEY-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001370045943 896393230 /nfs/dbraw/zinc/39/32/30/896393230.db2.gz OIVCSHFRTJEEEY-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001370045943 896393246 /nfs/dbraw/zinc/39/32/46/896393246.db2.gz OIVCSHFRTJEEEY-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001370230155 896413787 /nfs/dbraw/zinc/41/37/87/896413787.db2.gz VBIZRZXYQYGGKK-JQWIXIFHSA-N 2 1 282.388 -0.702 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001370546393 896440094 /nfs/dbraw/zinc/44/00/94/896440094.db2.gz YBJOYYUQRUBQQH-MGPQQGTHSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1nnnn1C ZINC001370672159 896472062 /nfs/dbraw/zinc/47/20/62/896472062.db2.gz ZRDFXOMCMRYNNM-GARJFASQSA-N 2 1 295.391 -0.540 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001370676722 896475462 /nfs/dbraw/zinc/47/54/62/896475462.db2.gz JQIFXXMFYXUROK-XQHKEYJVSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(=O)NC1CC1 ZINC001371214940 896577513 /nfs/dbraw/zinc/57/75/13/896577513.db2.gz WLIPLDFKDBIKGY-LLVKDONJSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001371435683 896609235 /nfs/dbraw/zinc/60/92/35/896609235.db2.gz ZSPAMVQUYMMIMF-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001371435683 896609242 /nfs/dbraw/zinc/60/92/42/896609242.db2.gz ZSPAMVQUYMMIMF-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001371435686 896610204 /nfs/dbraw/zinc/61/02/04/896610204.db2.gz ZSPAMVQUYMMIMF-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001371435686 896610213 /nfs/dbraw/zinc/61/02/13/896610213.db2.gz ZSPAMVQUYMMIMF-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001371929387 896686632 /nfs/dbraw/zinc/68/66/32/896686632.db2.gz XXJRZRIMPOCDGH-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001371929387 896686640 /nfs/dbraw/zinc/68/66/40/896686640.db2.gz XXJRZRIMPOCDGH-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001371929387 896686644 /nfs/dbraw/zinc/68/66/44/896686644.db2.gz XXJRZRIMPOCDGH-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001371929387 896686650 /nfs/dbraw/zinc/68/66/50/896686650.db2.gz XXJRZRIMPOCDGH-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)CCn1cncn1)[NH+](C)C ZINC001372111988 896727107 /nfs/dbraw/zinc/72/71/07/896727107.db2.gz YBPQUWZSUAHBFQ-LBPRGKRZSA-N 2 1 282.392 -0.334 20 0 CBADMP CN1CC[C@H]([N@H+](C)CCNC(=O)C[C@H]2CC[NH+](C)C2)C1=O ZINC001372183158 896741425 /nfs/dbraw/zinc/74/14/25/896741425.db2.gz MEQWJRTZZYOIFH-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCNC(=O)C[C@H]2CC[NH+](C)C2)C1=O ZINC001372183158 896741433 /nfs/dbraw/zinc/74/14/33/896741433.db2.gz MEQWJRTZZYOIFH-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@H]([NH+](C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001372183158 896741441 /nfs/dbraw/zinc/74/14/41/896741441.db2.gz MEQWJRTZZYOIFH-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@H]([NH+](C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001372183158 896741451 /nfs/dbraw/zinc/74/14/51/896741451.db2.gz MEQWJRTZZYOIFH-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC001372541606 896805840 /nfs/dbraw/zinc/80/58/40/896805840.db2.gz PGHDKNYYBWCIFM-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC001372541606 896805857 /nfs/dbraw/zinc/80/58/57/896805857.db2.gz PGHDKNYYBWCIFM-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001372563512 896806981 /nfs/dbraw/zinc/80/69/81/896806981.db2.gz GGXUSQZUXRUPGB-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1CCn1cncn1 ZINC001372560471 896807421 /nfs/dbraw/zinc/80/74/21/896807421.db2.gz XFGKHIGTSOJAEJ-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1CCn1cncn1 ZINC001372560475 896809408 /nfs/dbraw/zinc/80/94/08/896809408.db2.gz XFGKHIGTSOJAEJ-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001372614737 896823088 /nfs/dbraw/zinc/82/30/88/896823088.db2.gz UDQXZPPNIQIUNF-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP COC[C@H](O)C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001372774813 896860053 /nfs/dbraw/zinc/86/00/53/896860053.db2.gz GBXLZFPAXNNBGK-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001372774813 896860063 /nfs/dbraw/zinc/86/00/63/896860063.db2.gz GBXLZFPAXNNBGK-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001372774813 896860079 /nfs/dbraw/zinc/86/00/79/896860079.db2.gz GBXLZFPAXNNBGK-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001372912381 896897939 /nfs/dbraw/zinc/89/79/39/896897939.db2.gz ZYVMNJNGVWZGNV-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(N)=O ZINC001372946256 896914007 /nfs/dbraw/zinc/91/40/07/896914007.db2.gz MCBAMLRDFIJLAF-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001373195207 896954195 /nfs/dbraw/zinc/95/41/95/896954195.db2.gz KMHANBZHVARKJY-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373195207 896954202 /nfs/dbraw/zinc/95/42/02/896954202.db2.gz KMHANBZHVARKJY-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373195207 896954212 /nfs/dbraw/zinc/95/42/12/896954212.db2.gz KMHANBZHVARKJY-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH+](C)CC(N)=O)CC1 ZINC001373328977 896974117 /nfs/dbraw/zinc/97/41/17/896974117.db2.gz BBBFOBUWJMOWOH-UHFFFAOYSA-N 2 1 298.431 -0.016 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC(C[N@H+](C)CC(N)=O)CC1 ZINC001373328977 896974129 /nfs/dbraw/zinc/97/41/29/896974129.db2.gz BBBFOBUWJMOWOH-UHFFFAOYSA-N 2 1 298.431 -0.016 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC(C[N@@H+](C)CC(N)=O)CC1 ZINC001373328977 896974140 /nfs/dbraw/zinc/97/41/40/896974140.db2.gz BBBFOBUWJMOWOH-UHFFFAOYSA-N 2 1 298.431 -0.016 20 0 CBADMP CC[C@H](C(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001373453993 897021272 /nfs/dbraw/zinc/02/12/72/897021272.db2.gz GHLMQQKNGPVOKB-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001373599620 897064722 /nfs/dbraw/zinc/06/47/22/897064722.db2.gz DVLRSURKGRJMRR-RWMBFGLXSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001373599620 897064734 /nfs/dbraw/zinc/06/47/34/897064734.db2.gz DVLRSURKGRJMRR-RWMBFGLXSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001373599620 897064748 /nfs/dbraw/zinc/06/47/48/897064748.db2.gz DVLRSURKGRJMRR-RWMBFGLXSA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001373611533 897070838 /nfs/dbraw/zinc/07/08/38/897070838.db2.gz AAULJXBBWQBADX-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001373611533 897070854 /nfs/dbraw/zinc/07/08/54/897070854.db2.gz AAULJXBBWQBADX-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001373611533 897070866 /nfs/dbraw/zinc/07/08/66/897070866.db2.gz AAULJXBBWQBADX-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001373611533 897070880 /nfs/dbraw/zinc/07/08/80/897070880.db2.gz AAULJXBBWQBADX-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP COC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001373643613 897088036 /nfs/dbraw/zinc/08/80/36/897088036.db2.gz HVOTYPWOSAJRBS-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001373643613 897088049 /nfs/dbraw/zinc/08/80/49/897088049.db2.gz HVOTYPWOSAJRBS-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001374083204 897169111 /nfs/dbraw/zinc/16/91/11/897169111.db2.gz ZUWHWIVWHJKCRY-LLVKDONJSA-N 2 1 295.387 -0.166 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001374112372 897170887 /nfs/dbraw/zinc/17/08/87/897170887.db2.gz NKDRUCNCAQYYQX-NSHDSACASA-N 2 1 272.393 -0.586 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001374210048 897190924 /nfs/dbraw/zinc/19/09/24/897190924.db2.gz YPLTVHHVWCUKRA-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374310945 897213027 /nfs/dbraw/zinc/21/30/27/897213027.db2.gz FRHJHJNUCNMNIJ-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001374529127 897246448 /nfs/dbraw/zinc/24/64/48/897246448.db2.gz CGFXGPOSQJATDZ-UHFFFAOYSA-N 2 1 272.393 -0.584 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001374529127 897246462 /nfs/dbraw/zinc/24/64/62/897246462.db2.gz CGFXGPOSQJATDZ-UHFFFAOYSA-N 2 1 272.393 -0.584 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001374539330 897251944 /nfs/dbraw/zinc/25/19/44/897251944.db2.gz ZSYUNYPBDMCIPK-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001374539330 897251953 /nfs/dbraw/zinc/25/19/53/897251953.db2.gz ZSYUNYPBDMCIPK-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374539330 897251962 /nfs/dbraw/zinc/25/19/62/897251962.db2.gz ZSYUNYPBDMCIPK-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374539330 897251968 /nfs/dbraw/zinc/25/19/68/897251968.db2.gz ZSYUNYPBDMCIPK-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCCNC1=O)[NH+](C)C ZINC001374552606 897257895 /nfs/dbraw/zinc/25/78/95/897257895.db2.gz RGEWXAYUQZWVQX-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCCNC1=O)[NH+](C)C ZINC001374552606 897257902 /nfs/dbraw/zinc/25/79/02/897257902.db2.gz RGEWXAYUQZWVQX-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001374560711 897260844 /nfs/dbraw/zinc/26/08/44/897260844.db2.gz DYVNUJPAOSHUTL-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001374576458 897270604 /nfs/dbraw/zinc/27/06/04/897270604.db2.gz UNXZMFXPFMBWOZ-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001374576452 897271426 /nfs/dbraw/zinc/27/14/26/897271426.db2.gz UNXZMFXPFMBWOZ-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC2CCC2)C1 ZINC001374585989 897284444 /nfs/dbraw/zinc/28/44/44/897284444.db2.gz FDTFUZNAQHCJEL-CHWSQXEVSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC2CCC2)C1 ZINC001374585989 897284458 /nfs/dbraw/zinc/28/44/58/897284458.db2.gz FDTFUZNAQHCJEL-CHWSQXEVSA-N 2 1 285.388 -0.816 20 0 CBADMP Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)o1 ZINC001374643989 897326492 /nfs/dbraw/zinc/32/64/92/897326492.db2.gz RUFHVBCMRQXYHF-LLVKDONJSA-N 2 1 284.360 -0.499 20 0 CBADMP CC[C@@H]([NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001374709373 897352391 /nfs/dbraw/zinc/35/23/91/897352391.db2.gz HTGCSGIHLFYKNZ-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H]([NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001374709375 897355204 /nfs/dbraw/zinc/35/52/04/897355204.db2.gz HTGCSGIHLFYKNZ-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C1CC[NH+](C)CC1 ZINC001374811724 897399835 /nfs/dbraw/zinc/39/98/35/897399835.db2.gz RXKLSUOKWFFVNM-LLVKDONJSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cnnn1C ZINC001374827044 897404644 /nfs/dbraw/zinc/40/46/44/897404644.db2.gz GJIYSQUDGSAGLA-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374842959 897407552 /nfs/dbraw/zinc/40/75/52/897407552.db2.gz QBRLNEREWCMRSR-GRYCIOLGSA-N 2 1 273.377 -0.960 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001374873845 897415530 /nfs/dbraw/zinc/41/55/30/897415530.db2.gz UDHIZCWVAHASRD-TUAOUCFPSA-N 2 1 273.377 -0.818 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374932779 897433082 /nfs/dbraw/zinc/43/30/82/897433082.db2.gz ARORAAAWKRAFBP-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374932779 897433090 /nfs/dbraw/zinc/43/30/90/897433090.db2.gz ARORAAAWKRAFBP-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001374923072 897433991 /nfs/dbraw/zinc/43/39/91/897433991.db2.gz ZDQVBEBWCBXCJZ-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C1CC[NH+](C)CC1 ZINC001374932461 897435228 /nfs/dbraw/zinc/43/52/28/897435228.db2.gz XIZUBQJMWAJNIR-JTQLQIEISA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)CCC[NH+](C)C ZINC001375096950 897472898 /nfs/dbraw/zinc/47/28/98/897472898.db2.gz VPGCESVYDYOQEW-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)CCC[NH+](C)C ZINC001375096950 897472923 /nfs/dbraw/zinc/47/29/23/897472923.db2.gz VPGCESVYDYOQEW-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH2+][C@H](C)C(N)=O)C1CC1 ZINC001375277129 897506418 /nfs/dbraw/zinc/50/64/18/897506418.db2.gz JYKAUEJATMZFJS-PWSUYJOCSA-N 2 1 284.404 -0.315 20 0 CBADMP CCNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001375428306 897541975 /nfs/dbraw/zinc/54/19/75/897541975.db2.gz CJBIGEMJYXWMTO-UHFFFAOYSA-N 2 1 296.415 -0.155 20 0 CBADMP NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001375435654 897543900 /nfs/dbraw/zinc/54/39/00/897543900.db2.gz JEMGTTXPZQZUHK-NEPJUHHUSA-N 2 1 294.399 -0.273 20 0 CBADMP COC[C@H](O)C[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001375445819 897547424 /nfs/dbraw/zinc/54/74/24/897547424.db2.gz PGYMPWCFRSOABG-GFCCVEGCSA-N 2 1 296.371 -0.563 20 0 CBADMP CC[C@@H]([NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1)C(N)=O ZINC001375489737 897552967 /nfs/dbraw/zinc/55/29/67/897552967.db2.gz HBZFWJAGWBXBRR-VXGBXAGGSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(N)=O ZINC001375614779 897575256 /nfs/dbraw/zinc/57/52/56/897575256.db2.gz MFHDKHNXNWQZNR-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(N)=O ZINC001375614779 897575267 /nfs/dbraw/zinc/57/52/67/897575267.db2.gz MFHDKHNXNWQZNR-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001375637768 897579032 /nfs/dbraw/zinc/57/90/32/897579032.db2.gz XEYFHDGCUSDPMD-UONOGXRCSA-N 2 1 299.415 -0.642 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001375896887 897619789 /nfs/dbraw/zinc/61/97/89/897619789.db2.gz NKPJCJYUSIUPFG-IUODEOHRSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001375896891 897620199 /nfs/dbraw/zinc/62/01/99/897620199.db2.gz NKPJCJYUSIUPFG-WFASDCNBSA-N 2 1 296.415 -0.358 20 0 CBADMP CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCOCC1 ZINC001375982082 897623146 /nfs/dbraw/zinc/62/31/46/897623146.db2.gz KOYAOJPEZKCYOC-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCOCC1 ZINC001375982082 897623153 /nfs/dbraw/zinc/62/31/53/897623153.db2.gz KOYAOJPEZKCYOC-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[C@H](C(=O)N(C)C1CC[NH+](CC(=O)NC)CC1)[NH+](C)C ZINC001376020263 897631912 /nfs/dbraw/zinc/63/19/12/897631912.db2.gz XENXNUAOALTGSC-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCCO)C1 ZINC001376043809 897639924 /nfs/dbraw/zinc/63/99/24/897639924.db2.gz BGQZJRQAVZBJMF-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001376043809 897639938 /nfs/dbraw/zinc/63/99/38/897639938.db2.gz BGQZJRQAVZBJMF-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001376043809 897639950 /nfs/dbraw/zinc/63/99/50/897639950.db2.gz BGQZJRQAVZBJMF-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](CCOC)C1 ZINC001376086489 897649381 /nfs/dbraw/zinc/64/93/81/897649381.db2.gz DMWYLHXKPRZHGM-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](CCOC)C1 ZINC001376086489 897649393 /nfs/dbraw/zinc/64/93/93/897649393.db2.gz DMWYLHXKPRZHGM-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](CCOC)C1 ZINC001376086489 897649407 /nfs/dbraw/zinc/64/94/07/897649407.db2.gz DMWYLHXKPRZHGM-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCF)C2)C1 ZINC001376087610 897649638 /nfs/dbraw/zinc/64/96/38/897649638.db2.gz GVEMRGFUXWVVPV-YPMHNXCESA-N 2 1 273.352 -0.539 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCF)C2)C1 ZINC001376087610 897649651 /nfs/dbraw/zinc/64/96/51/897649651.db2.gz GVEMRGFUXWVVPV-YPMHNXCESA-N 2 1 273.352 -0.539 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)C1 ZINC001376087610 897649664 /nfs/dbraw/zinc/64/96/64/897649664.db2.gz GVEMRGFUXWVVPV-YPMHNXCESA-N 2 1 273.352 -0.539 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)C1 ZINC001376087610 897649675 /nfs/dbraw/zinc/64/96/75/897649675.db2.gz GVEMRGFUXWVVPV-YPMHNXCESA-N 2 1 273.352 -0.539 20 0 CBADMP CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CCOC)C1)[NH+](C)C ZINC001376100126 897653534 /nfs/dbraw/zinc/65/35/34/897653534.db2.gz ZSPPETSDOXMCHJ-TZMCWYRMSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376151047 897676037 /nfs/dbraw/zinc/67/60/37/897676037.db2.gz LTCJHXLNJZNXOP-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376151047 897676044 /nfs/dbraw/zinc/67/60/44/897676044.db2.gz LTCJHXLNJZNXOP-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001376152635 897676836 /nfs/dbraw/zinc/67/68/36/897676836.db2.gz OBRYIRUMTKWJTN-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C[C@H](C)O)C2)CC[N@H+]1C ZINC001376169799 897681119 /nfs/dbraw/zinc/68/11/19/897681119.db2.gz MWOFZRRAXUHCIG-RWMBFGLXSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]([NH2+][C@H](C)C(N)=O)C1CC1 ZINC001376276678 897703621 /nfs/dbraw/zinc/70/36/21/897703621.db2.gz KHKBJYAZCWIBEV-PWSUYJOCSA-N 2 1 284.404 -0.315 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001376341486 897716213 /nfs/dbraw/zinc/71/62/13/897716213.db2.gz QYNCYJPBOIXKRO-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)NC)C[C@@H]2C1 ZINC001376413246 897727808 /nfs/dbraw/zinc/72/78/08/897727808.db2.gz OKQQRYUYOYQFJU-BETUJISGSA-N 2 1 296.415 -0.536 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2C1 ZINC001376413246 897727817 /nfs/dbraw/zinc/72/78/17/897727817.db2.gz OKQQRYUYOYQFJU-BETUJISGSA-N 2 1 296.415 -0.536 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2C1 ZINC001376413246 897727827 /nfs/dbraw/zinc/72/78/27/897727827.db2.gz OKQQRYUYOYQFJU-BETUJISGSA-N 2 1 296.415 -0.536 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001376470739 897748976 /nfs/dbraw/zinc/74/89/76/897748976.db2.gz UHANCAGGYSLMJB-XJFOESAGSA-N 2 1 299.415 -0.285 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001376483475 897756473 /nfs/dbraw/zinc/75/64/73/897756473.db2.gz YBJOYYUQRUBQQH-MELADBBJSA-N 2 1 299.415 -0.020 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001376499748 897759493 /nfs/dbraw/zinc/75/94/93/897759493.db2.gz GDYHBLKBBSRTGJ-JLLWLGSASA-N 2 1 293.371 -0.437 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCC[NH+](CCO)C1 ZINC001376503133 897761017 /nfs/dbraw/zinc/76/10/17/897761017.db2.gz TWLXLABYMXYEKF-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001376503133 897761022 /nfs/dbraw/zinc/76/10/22/897761022.db2.gz TWLXLABYMXYEKF-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001376503133 897761034 /nfs/dbraw/zinc/76/10/34/897761034.db2.gz TWLXLABYMXYEKF-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001376559304 897776997 /nfs/dbraw/zinc/77/69/97/897776997.db2.gz MYOGQQLJOZBUHV-LBPRGKRZSA-N 2 1 293.371 -0.495 20 0 CBADMP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1nncn1C)[NH+](C)C ZINC001376754174 897835949 /nfs/dbraw/zinc/83/59/49/897835949.db2.gz AVVGTYMRAPOIGH-WDEREUQCSA-N 2 1 282.392 -0.250 20 0 CBADMP CC[C@H]([NH2+][C@@H](C)CNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001376773555 897840034 /nfs/dbraw/zinc/84/00/34/897840034.db2.gz FXOSNMMXNUWIKS-ONGXEEELSA-N 2 1 281.360 -0.450 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001376798716 897850100 /nfs/dbraw/zinc/85/01/00/897850100.db2.gz HSLOLGSHORKODY-LLVKDONJSA-N 2 1 286.420 -0.195 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001376803978 897851881 /nfs/dbraw/zinc/85/18/81/897851881.db2.gz SYJKVWLMCYTLTO-RYUDHWBXSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001376851624 897867349 /nfs/dbraw/zinc/86/73/49/897867349.db2.gz DRBREARTLIRACS-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001376841921 897867387 /nfs/dbraw/zinc/86/73/87/897867387.db2.gz MJPIVXVMKIFRSF-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001376841921 897867392 /nfs/dbraw/zinc/86/73/92/897867392.db2.gz MJPIVXVMKIFRSF-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001376885400 897880845 /nfs/dbraw/zinc/88/08/45/897880845.db2.gz RXIHGMRYZHWODE-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376922610 897891772 /nfs/dbraw/zinc/89/17/72/897891772.db2.gz SQLQEJRFTTZUOP-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001376915926 897892343 /nfs/dbraw/zinc/89/23/43/897892343.db2.gz WHJVQQIFQKIIRJ-NSHDSACASA-N 2 1 280.376 -0.543 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001376943049 897896194 /nfs/dbraw/zinc/89/61/94/897896194.db2.gz VOXDJSCCRAIBQD-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001376934084 897896825 /nfs/dbraw/zinc/89/68/25/897896825.db2.gz ISLWCMMRADNSKG-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001376960550 897900556 /nfs/dbraw/zinc/90/05/56/897900556.db2.gz VPKDSMMCMQRSIC-LLVKDONJSA-N 2 1 279.344 -0.885 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001376970221 897903324 /nfs/dbraw/zinc/90/33/24/897903324.db2.gz HBYGRDHCYUALSW-UHFFFAOYSA-N 2 1 272.393 -0.536 20 0 CBADMP CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CCC[NH+]1C ZINC001376967367 897903496 /nfs/dbraw/zinc/90/34/96/897903496.db2.gz SJRFEPAQSJFIFL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001376967367 897903502 /nfs/dbraw/zinc/90/35/02/897903502.db2.gz SJRFEPAQSJFIFL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001376967367 897903510 /nfs/dbraw/zinc/90/35/10/897903510.db2.gz SJRFEPAQSJFIFL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001377016698 897910334 /nfs/dbraw/zinc/91/03/34/897910334.db2.gz HLYQRTDFGPOSIN-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001377016698 897910349 /nfs/dbraw/zinc/91/03/49/897910349.db2.gz HLYQRTDFGPOSIN-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377016698 897910362 /nfs/dbraw/zinc/91/03/62/897910362.db2.gz HLYQRTDFGPOSIN-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001377009424 897911882 /nfs/dbraw/zinc/91/18/82/897911882.db2.gz FEAJCDRTZGMLQT-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CN1CCC[C@H]([N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001377133025 897941526 /nfs/dbraw/zinc/94/15/26/897941526.db2.gz UZZOOGBAJPRBPY-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CCC[C@H]([N@@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001377133025 897941538 /nfs/dbraw/zinc/94/15/38/897941538.db2.gz UZZOOGBAJPRBPY-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CCC[C@H]([NH+](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001377133025 897941549 /nfs/dbraw/zinc/94/15/49/897941549.db2.gz UZZOOGBAJPRBPY-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CCC[C@H]([NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001377133025 897941562 /nfs/dbraw/zinc/94/15/62/897941562.db2.gz UZZOOGBAJPRBPY-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCCNC1=O ZINC001377231621 897975558 /nfs/dbraw/zinc/97/55/58/897975558.db2.gz UJXVKXMAGSTSSK-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCCNC1=O ZINC001377231621 897975578 /nfs/dbraw/zinc/97/55/78/897975578.db2.gz UJXVKXMAGSTSSK-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CCCNC1=O ZINC001377231621 897975587 /nfs/dbraw/zinc/97/55/87/897975587.db2.gz UJXVKXMAGSTSSK-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CCCNC1=O ZINC001377231621 897975602 /nfs/dbraw/zinc/97/56/02/897975602.db2.gz UJXVKXMAGSTSSK-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCCNC(=O)CN(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001377253078 897986215 /nfs/dbraw/zinc/98/62/15/897986215.db2.gz UMLGOJWKASBNMH-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001377260133 897988375 /nfs/dbraw/zinc/98/83/75/897988375.db2.gz HYHWPLHJMINSEY-WDEREUQCSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001377260133 897988385 /nfs/dbraw/zinc/98/83/85/897988385.db2.gz HYHWPLHJMINSEY-WDEREUQCSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377260133 897988397 /nfs/dbraw/zinc/98/83/97/897988397.db2.gz HYHWPLHJMINSEY-WDEREUQCSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377260133 897988408 /nfs/dbraw/zinc/98/84/08/897988408.db2.gz HYHWPLHJMINSEY-WDEREUQCSA-N 2 1 270.377 -0.879 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](C)[C@H](CC)C(N)=O)[NH+](C)C ZINC001377295875 898001380 /nfs/dbraw/zinc/00/13/80/898001380.db2.gz GFBZKYNTZCPMPW-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@H](CC)C(N)=O)[NH+](C)C ZINC001377295875 898001387 /nfs/dbraw/zinc/00/13/87/898001387.db2.gz GFBZKYNTZCPMPW-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](CC)[C@@H](C)C(N)=O)[NH+](C)C ZINC001377336604 898013767 /nfs/dbraw/zinc/01/37/67/898013767.db2.gz NLDZIZWFRSYWRL-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](CC)[C@@H](C)C(N)=O)[NH+](C)C ZINC001377336604 898013775 /nfs/dbraw/zinc/01/37/75/898013775.db2.gz NLDZIZWFRSYWRL-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)C(N)=O ZINC001377341380 898020196 /nfs/dbraw/zinc/02/01/96/898020196.db2.gz UFWGLECDYMYHKJ-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)C(N)=O ZINC001377341380 898020209 /nfs/dbraw/zinc/02/02/09/898020209.db2.gz UFWGLECDYMYHKJ-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)CC(=O)N(C)C ZINC001377367094 898028485 /nfs/dbraw/zinc/02/84/85/898028485.db2.gz NLXUMUSSNWQVMC-UHFFFAOYSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)CC(=O)N(C)C ZINC001377367094 898028496 /nfs/dbraw/zinc/02/84/96/898028496.db2.gz NLXUMUSSNWQVMC-UHFFFAOYSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)CC(=O)N(C)C ZINC001377367094 898028504 /nfs/dbraw/zinc/02/85/04/898028504.db2.gz NLXUMUSSNWQVMC-UHFFFAOYSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)CC(=O)N(C)C ZINC001377367094 898028512 /nfs/dbraw/zinc/02/85/12/898028512.db2.gz NLXUMUSSNWQVMC-UHFFFAOYSA-N 2 1 286.420 -0.147 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001377425470 898042114 /nfs/dbraw/zinc/04/21/14/898042114.db2.gz AJDMQUBGZYCGGN-RYUDHWBXSA-N 2 1 284.404 -0.171 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001377449201 898051821 /nfs/dbraw/zinc/05/18/21/898051821.db2.gz BNQDVRIBIDVHAA-LLVKDONJSA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001377480242 898061613 /nfs/dbraw/zinc/06/16/13/898061613.db2.gz WHBZTOQWECVKJB-NWDGAFQWSA-N 2 1 294.403 -0.106 20 0 CBADMP CO[C@@H](C)C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001377519026 898076089 /nfs/dbraw/zinc/07/60/89/898076089.db2.gz SLASPDYUMMDVLR-JSGCOSHPSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H](C)C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001377519026 898076101 /nfs/dbraw/zinc/07/61/01/898076101.db2.gz SLASPDYUMMDVLR-JSGCOSHPSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H](C)C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001377519026 898076114 /nfs/dbraw/zinc/07/61/14/898076114.db2.gz SLASPDYUMMDVLR-JSGCOSHPSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H](C)C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001377519026 898076128 /nfs/dbraw/zinc/07/61/28/898076128.db2.gz SLASPDYUMMDVLR-JSGCOSHPSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@H](C)C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001377519029 898078107 /nfs/dbraw/zinc/07/81/07/898078107.db2.gz SLASPDYUMMDVLR-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@H](C)C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001377519029 898078115 /nfs/dbraw/zinc/07/81/15/898078115.db2.gz SLASPDYUMMDVLR-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@H](C)C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001377519029 898078126 /nfs/dbraw/zinc/07/81/26/898078126.db2.gz SLASPDYUMMDVLR-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@H](C)C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001377519029 898078134 /nfs/dbraw/zinc/07/81/34/898078134.db2.gz SLASPDYUMMDVLR-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@H](O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001377567041 898086097 /nfs/dbraw/zinc/08/60/97/898086097.db2.gz ITRYIBLMJIOZBO-QWHCGFSZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](C(N)=O)[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001377555761 898086434 /nfs/dbraw/zinc/08/64/34/898086434.db2.gz WDFJKHUZGDDUFJ-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001377555761 898086444 /nfs/dbraw/zinc/08/64/44/898086444.db2.gz WDFJKHUZGDDUFJ-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001377555761 898086452 /nfs/dbraw/zinc/08/64/52/898086452.db2.gz WDFJKHUZGDDUFJ-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001377555761 898086460 /nfs/dbraw/zinc/08/64/60/898086460.db2.gz WDFJKHUZGDDUFJ-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP COCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001377680422 898112660 /nfs/dbraw/zinc/11/26/60/898112660.db2.gz WLNVSQYKISMMBJ-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001377680422 898112670 /nfs/dbraw/zinc/11/26/70/898112670.db2.gz WLNVSQYKISMMBJ-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001377680422 898112678 /nfs/dbraw/zinc/11/26/78/898112678.db2.gz WLNVSQYKISMMBJ-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001377680422 898112690 /nfs/dbraw/zinc/11/26/90/898112690.db2.gz WLNVSQYKISMMBJ-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001377713436 898122117 /nfs/dbraw/zinc/12/21/17/898122117.db2.gz XTSYKAMZOMGCLL-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C[N@H+](C)CCO)C1 ZINC001377746615 898125897 /nfs/dbraw/zinc/12/58/97/898125897.db2.gz DACOXNKOYFZJRF-ZDUSSCGKSA-N 2 1 280.372 -0.036 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1 ZINC001377746615 898125905 /nfs/dbraw/zinc/12/59/05/898125905.db2.gz DACOXNKOYFZJRF-ZDUSSCGKSA-N 2 1 280.372 -0.036 20 0 CBADMP C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001377825944 898142668 /nfs/dbraw/zinc/14/26/68/898142668.db2.gz XEEGMYDANNYLFW-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001377825944 898142673 /nfs/dbraw/zinc/14/26/73/898142673.db2.gz XEEGMYDANNYLFW-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001377899670 898165382 /nfs/dbraw/zinc/16/53/82/898165382.db2.gz DAHUWTQSPNLXMY-MNOVXSKESA-N 2 1 295.387 -0.190 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001377993531 898192209 /nfs/dbraw/zinc/19/22/09/898192209.db2.gz OUKRXUYUKDZUIE-NSHDSACASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001377993526 898193926 /nfs/dbraw/zinc/19/39/26/898193926.db2.gz OUKRXUYUKDZUIE-LLVKDONJSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001378069111 898223014 /nfs/dbraw/zinc/22/30/14/898223014.db2.gz YLVKVUILFJRXFQ-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001378069111 898223026 /nfs/dbraw/zinc/22/30/26/898223026.db2.gz YLVKVUILFJRXFQ-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001378062108 898223180 /nfs/dbraw/zinc/22/31/80/898223180.db2.gz FBXWNJVZOXRZRF-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001378062108 898223194 /nfs/dbraw/zinc/22/31/94/898223194.db2.gz FBXWNJVZOXRZRF-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001378062108 898223213 /nfs/dbraw/zinc/22/32/13/898223213.db2.gz FBXWNJVZOXRZRF-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001378062108 898223227 /nfs/dbraw/zinc/22/32/27/898223227.db2.gz FBXWNJVZOXRZRF-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001378074283 898224024 /nfs/dbraw/zinc/22/40/24/898224024.db2.gz ARGDNBXAQLCXNJ-GXTWGEPZSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001378074283 898224040 /nfs/dbraw/zinc/22/40/40/898224040.db2.gz ARGDNBXAQLCXNJ-GXTWGEPZSA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001378116330 898238828 /nfs/dbraw/zinc/23/88/28/898238828.db2.gz RPWRNWGDQVDMAH-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001378116330 898238842 /nfs/dbraw/zinc/23/88/42/898238842.db2.gz RPWRNWGDQVDMAH-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCN([C@@H](C)C(=O)NC)C1 ZINC001378137999 898250935 /nfs/dbraw/zinc/25/09/35/898250935.db2.gz HQAGYZWVGMTOGM-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001378137999 898250948 /nfs/dbraw/zinc/25/09/48/898250948.db2.gz HQAGYZWVGMTOGM-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001378137999 898250959 /nfs/dbraw/zinc/25/09/59/898250959.db2.gz HQAGYZWVGMTOGM-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001378137999 898250975 /nfs/dbraw/zinc/25/09/75/898250975.db2.gz HQAGYZWVGMTOGM-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001378137999 898250990 /nfs/dbraw/zinc/25/09/90/898250990.db2.gz HQAGYZWVGMTOGM-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCN([C@H]2CCNC2=O)C1 ZINC001378136844 898254642 /nfs/dbraw/zinc/25/46/42/898254642.db2.gz BFOGRMTZRGYGEZ-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001378136844 898254658 /nfs/dbraw/zinc/25/46/58/898254658.db2.gz BFOGRMTZRGYGEZ-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001378136844 898254671 /nfs/dbraw/zinc/25/46/71/898254671.db2.gz BFOGRMTZRGYGEZ-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001378136844 898254686 /nfs/dbraw/zinc/25/46/86/898254686.db2.gz BFOGRMTZRGYGEZ-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001378136844 898254697 /nfs/dbraw/zinc/25/46/97/898254697.db2.gz BFOGRMTZRGYGEZ-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CCNC(=O)CN(C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001378145326 898255673 /nfs/dbraw/zinc/25/56/73/898255673.db2.gz QOHGSEXIQQAAKQ-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001378145326 898255689 /nfs/dbraw/zinc/25/56/89/898255689.db2.gz QOHGSEXIQQAAKQ-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001378145326 898255707 /nfs/dbraw/zinc/25/57/07/898255707.db2.gz QOHGSEXIQQAAKQ-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001378145326 898255745 /nfs/dbraw/zinc/25/57/45/898255745.db2.gz QOHGSEXIQQAAKQ-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378162588 898261478 /nfs/dbraw/zinc/26/14/78/898261478.db2.gz CJIGFMRJXXDWCC-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001378181050 898265311 /nfs/dbraw/zinc/26/53/11/898265311.db2.gz FRIXZJCNRWPNHM-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001378181050 898265291 /nfs/dbraw/zinc/26/52/91/898265291.db2.gz FRIXZJCNRWPNHM-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001378181050 898265326 /nfs/dbraw/zinc/26/53/26/898265326.db2.gz FRIXZJCNRWPNHM-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001378181050 898265343 /nfs/dbraw/zinc/26/53/43/898265343.db2.gz FRIXZJCNRWPNHM-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)[N@@H+](C)CCO ZINC001378179730 898266907 /nfs/dbraw/zinc/26/69/07/898266907.db2.gz XFTNWGKCSBREOJ-GFCCVEGCSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001378218377 898283686 /nfs/dbraw/zinc/28/36/86/898283686.db2.gz FYKFSLWETQVLQZ-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+]CC(=O)NC ZINC001378286307 898303279 /nfs/dbraw/zinc/30/32/79/898303279.db2.gz MDZONXREOOXKAA-LLVKDONJSA-N 2 1 281.360 -0.578 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001378344206 898320747 /nfs/dbraw/zinc/32/07/47/898320747.db2.gz OZSWNOHVJOMSDZ-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H]([NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1)C(N)=O ZINC001378383700 898325278 /nfs/dbraw/zinc/32/52/78/898325278.db2.gz SAKXKRRYSPXECB-NEPJUHHUSA-N 2 1 296.415 -0.170 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)NC ZINC001378569899 898354498 /nfs/dbraw/zinc/35/44/98/898354498.db2.gz UWLRLFBGOHVDSI-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001378569838 898355486 /nfs/dbraw/zinc/35/54/86/898355486.db2.gz LXBUIMCNEJNEQT-QWHCGFSZSA-N 2 1 298.431 -0.066 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378646162 898376917 /nfs/dbraw/zinc/37/69/17/898376917.db2.gz MWPKZHSLJUBSLZ-VXGBXAGGSA-N 2 1 284.404 -0.584 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)[C@H]2CCNC2=O)C1 ZINC001379100851 898466313 /nfs/dbraw/zinc/46/63/13/898466313.db2.gz UAXGCARXSUSCLG-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)[C@H]2CCNC2=O)C1 ZINC001379100851 898466323 /nfs/dbraw/zinc/46/63/23/898466323.db2.gz UAXGCARXSUSCLG-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001379100851 898466330 /nfs/dbraw/zinc/46/63/30/898466330.db2.gz UAXGCARXSUSCLG-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001379100851 898466336 /nfs/dbraw/zinc/46/63/36/898466336.db2.gz UAXGCARXSUSCLG-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001379115170 898471274 /nfs/dbraw/zinc/47/12/74/898471274.db2.gz CGNRWLJESWLTNC-STQMWFEESA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001379115170 898471280 /nfs/dbraw/zinc/47/12/80/898471280.db2.gz CGNRWLJESWLTNC-STQMWFEESA-N 2 1 298.431 -0.149 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nccs1 ZINC001379227438 898512019 /nfs/dbraw/zinc/51/20/19/898512019.db2.gz LVZKMBUXNQIGBZ-WDEREUQCSA-N 2 1 298.412 -0.196 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nccs1 ZINC001379227438 898512031 /nfs/dbraw/zinc/51/20/31/898512031.db2.gz LVZKMBUXNQIGBZ-WDEREUQCSA-N 2 1 298.412 -0.196 20 0 CBADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001379232268 898516980 /nfs/dbraw/zinc/51/69/80/898516980.db2.gz SSGMWIWICHRNOO-CHWSQXEVSA-N 2 1 295.387 -0.919 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001379285700 898537744 /nfs/dbraw/zinc/53/77/44/898537744.db2.gz QCDYDTMXEQYAID-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccn2)C1 ZINC001379290168 898540362 /nfs/dbraw/zinc/54/03/62/898540362.db2.gz QYPWVNGQZPBEIM-TZMCWYRMSA-N 2 1 292.383 -0.400 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001379320267 898546885 /nfs/dbraw/zinc/54/68/85/898546885.db2.gz GOGPFXWOHYMPPR-YPMHNXCESA-N 2 1 298.387 -0.365 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001379328517 898551270 /nfs/dbraw/zinc/55/12/70/898551270.db2.gz ZHSHJSKSPCBUSF-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001379410972 898602861 /nfs/dbraw/zinc/60/28/61/898602861.db2.gz FSJHHMKTUMLQIM-GRYCIOLGSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CCC[NH+](C)C ZINC001379413081 898606605 /nfs/dbraw/zinc/60/66/05/898606605.db2.gz FXQOZJLBAFIAAW-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)CC[NH+](C)C ZINC001379416605 898608617 /nfs/dbraw/zinc/60/86/17/898608617.db2.gz IENUQLSBVXMULH-SNVBAGLBSA-N 2 1 295.391 -0.446 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001379449514 898616417 /nfs/dbraw/zinc/61/64/17/898616417.db2.gz IFYXOYXNNFZNSP-LLVKDONJSA-N 2 1 292.387 -0.495 20 0 CBADMP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379460476 898621488 /nfs/dbraw/zinc/62/14/88/898621488.db2.gz OITVJQAQKJBQPK-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001379466801 898625809 /nfs/dbraw/zinc/62/58/09/898625809.db2.gz MOYJJWPABNBAQF-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001379518361 898654530 /nfs/dbraw/zinc/65/45/30/898654530.db2.gz GETLPKIUDLAUIO-JQWIXIFHSA-N 2 1 297.407 -0.609 20 0 CBADMP Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001379529727 898656581 /nfs/dbraw/zinc/65/65/81/898656581.db2.gz REMYUYVJVWQJMD-LBPRGKRZSA-N 2 1 296.371 -0.354 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001379541070 898661121 /nfs/dbraw/zinc/66/11/21/898661121.db2.gz UOTOZXMWODGOPE-AAEUAGOBSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC ZINC001379598211 898676854 /nfs/dbraw/zinc/67/68/54/898676854.db2.gz JWGYPFPTPFFRMM-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379676148 898699860 /nfs/dbraw/zinc/69/98/60/898699860.db2.gz ZUICSXMDLNZCEH-AAEUAGOBSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379676148 898699867 /nfs/dbraw/zinc/69/98/67/898699867.db2.gz ZUICSXMDLNZCEH-AAEUAGOBSA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001379672777 898700022 /nfs/dbraw/zinc/70/00/22/898700022.db2.gz SLDBCSMXKTVQAP-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001379672777 898700031 /nfs/dbraw/zinc/70/00/31/898700031.db2.gz SLDBCSMXKTVQAP-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379672777 898700038 /nfs/dbraw/zinc/70/00/38/898700038.db2.gz SLDBCSMXKTVQAP-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379672777 898700049 /nfs/dbraw/zinc/70/00/49/898700049.db2.gz SLDBCSMXKTVQAP-JHJVBQTASA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001379743640 898718046 /nfs/dbraw/zinc/71/80/46/898718046.db2.gz QGXVBDSYMVYZGK-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CN(C[C@@H](O)C[N@H+](C)CC1CC1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001379905760 898761493 /nfs/dbraw/zinc/76/14/93/898761493.db2.gz DVDPYVRMDWPRGY-UONOGXRCSA-N 2 1 299.415 -0.522 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CC1CC1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001379905760 898761505 /nfs/dbraw/zinc/76/15/05/898761505.db2.gz DVDPYVRMDWPRGY-UONOGXRCSA-N 2 1 299.415 -0.522 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CC1CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379905760 898761516 /nfs/dbraw/zinc/76/15/16/898761516.db2.gz DVDPYVRMDWPRGY-UONOGXRCSA-N 2 1 299.415 -0.522 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CC1CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379905760 898761528 /nfs/dbraw/zinc/76/15/28/898761528.db2.gz DVDPYVRMDWPRGY-UONOGXRCSA-N 2 1 299.415 -0.522 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1CCn1cncn1 ZINC001380019192 898788125 /nfs/dbraw/zinc/78/81/25/898788125.db2.gz RJLPTHCXTRULDC-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1CCn1cncn1 ZINC001380019192 898788130 /nfs/dbraw/zinc/78/81/30/898788130.db2.gz RJLPTHCXTRULDC-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001380019192 898788138 /nfs/dbraw/zinc/78/81/38/898788138.db2.gz RJLPTHCXTRULDC-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001380019192 898788148 /nfs/dbraw/zinc/78/81/48/898788148.db2.gz RJLPTHCXTRULDC-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001380109600 898814357 /nfs/dbraw/zinc/81/43/57/898814357.db2.gz PGYMPWCFRSOABG-LBPRGKRZSA-N 2 1 296.371 -0.563 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001380285883 898852552 /nfs/dbraw/zinc/85/25/52/898852552.db2.gz RFEPRVKXDZSNKU-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCC2(O)C[NH+](CC3CCC3)C2)C1 ZINC001380643599 898929781 /nfs/dbraw/zinc/92/97/81/898929781.db2.gz TWZPCWSUDABSSU-ZDUSSCGKSA-N 2 1 281.400 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2(O)C[NH+](CC3CCC3)C2)C1 ZINC001380643599 898929785 /nfs/dbraw/zinc/92/97/85/898929785.db2.gz TWZPCWSUDABSSU-ZDUSSCGKSA-N 2 1 281.400 -0.099 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001380656909 898931338 /nfs/dbraw/zinc/93/13/38/898931338.db2.gz GMRUKNOQIVEJEL-XQQFMLRXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(N)=O ZINC001380757836 898945789 /nfs/dbraw/zinc/94/57/89/898945789.db2.gz NNFAASODMPHRHW-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(N)=O ZINC001380757836 898945803 /nfs/dbraw/zinc/94/58/03/898945803.db2.gz NNFAASODMPHRHW-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001380757836 898945819 /nfs/dbraw/zinc/94/58/19/898945819.db2.gz NNFAASODMPHRHW-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001380757836 898945835 /nfs/dbraw/zinc/94/58/35/898945835.db2.gz NNFAASODMPHRHW-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001380840975 898958348 /nfs/dbraw/zinc/95/83/48/898958348.db2.gz OIFDDIYCVSWYQU-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001380909051 898970085 /nfs/dbraw/zinc/97/00/85/898970085.db2.gz BFZYBSITLQRZME-DGCLKSJQSA-N 2 1 296.371 -0.611 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001380956683 898977975 /nfs/dbraw/zinc/97/79/75/898977975.db2.gz HQVBGLJKAYIZKQ-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001380956683 898977983 /nfs/dbraw/zinc/97/79/83/898977983.db2.gz HQVBGLJKAYIZKQ-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001380956683 898977987 /nfs/dbraw/zinc/97/79/87/898977987.db2.gz HQVBGLJKAYIZKQ-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCF)C1 ZINC001381042301 898988112 /nfs/dbraw/zinc/98/81/12/898988112.db2.gz GZGIIITWYDUWPW-GXTWGEPZSA-N 2 1 287.379 -0.007 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001381097243 898996364 /nfs/dbraw/zinc/99/63/64/898996364.db2.gz PWZJLYBFDCTXFJ-WCQYABFASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(N)=O ZINC001381173544 899007322 /nfs/dbraw/zinc/00/73/22/899007322.db2.gz NCUGOQQMTIVVNV-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(N)=O ZINC001381173544 899007331 /nfs/dbraw/zinc/00/73/31/899007331.db2.gz NCUGOQQMTIVVNV-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001381305071 899028166 /nfs/dbraw/zinc/02/81/66/899028166.db2.gz WWCCTTCQGIFIGQ-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001381305071 899028178 /nfs/dbraw/zinc/02/81/78/899028178.db2.gz WWCCTTCQGIFIGQ-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001381322529 899029177 /nfs/dbraw/zinc/02/91/77/899029177.db2.gz AFHSNOFGPPGBIZ-WXRRBKDZSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001381331565 899031602 /nfs/dbraw/zinc/03/16/02/899031602.db2.gz NTFGSQRZNQIAKD-MCIGGMRASA-N 2 1 282.388 -0.560 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001381334933 899033078 /nfs/dbraw/zinc/03/30/78/899033078.db2.gz JFFJYVQKEIDNIM-UHFFFAOYSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)CC(N)=O ZINC001381536543 899076295 /nfs/dbraw/zinc/07/62/95/899076295.db2.gz VLCMZLCRSSOQBH-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)CC(N)=O ZINC001381536543 899076304 /nfs/dbraw/zinc/07/63/04/899076304.db2.gz VLCMZLCRSSOQBH-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001381617807 899094375 /nfs/dbraw/zinc/09/43/75/899094375.db2.gz GYJVHNHHSMZTRX-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001381617807 899094387 /nfs/dbraw/zinc/09/43/87/899094387.db2.gz GYJVHNHHSMZTRX-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001381617807 899094400 /nfs/dbraw/zinc/09/44/00/899094400.db2.gz GYJVHNHHSMZTRX-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001381617807 899094413 /nfs/dbraw/zinc/09/44/13/899094413.db2.gz GYJVHNHHSMZTRX-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001381617812 899095315 /nfs/dbraw/zinc/09/53/15/899095315.db2.gz GYJVHNHHSMZTRX-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001381617812 899095326 /nfs/dbraw/zinc/09/53/26/899095326.db2.gz GYJVHNHHSMZTRX-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001381617812 899095342 /nfs/dbraw/zinc/09/53/42/899095342.db2.gz GYJVHNHHSMZTRX-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001381617812 899095356 /nfs/dbraw/zinc/09/53/56/899095356.db2.gz GYJVHNHHSMZTRX-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CCn1cncn1 ZINC001381624931 899095379 /nfs/dbraw/zinc/09/53/79/899095379.db2.gz YSXFVAKJBDJLJI-STQMWFEESA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CCn1cncn1 ZINC001381624931 899095392 /nfs/dbraw/zinc/09/53/92/899095392.db2.gz YSXFVAKJBDJLJI-STQMWFEESA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CCn1cncn1 ZINC001381624931 899095407 /nfs/dbraw/zinc/09/54/07/899095407.db2.gz YSXFVAKJBDJLJI-STQMWFEESA-N 2 1 294.403 -0.334 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H]1CCN(C)C1=O ZINC001381639201 899099147 /nfs/dbraw/zinc/09/91/47/899099147.db2.gz AFCIMPJPIVTUKL-STQMWFEESA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC001381639201 899099162 /nfs/dbraw/zinc/09/91/62/899099162.db2.gz AFCIMPJPIVTUKL-STQMWFEESA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001381639201 899099175 /nfs/dbraw/zinc/09/91/75/899099175.db2.gz AFCIMPJPIVTUKL-STQMWFEESA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H]1CCN(C)C1=O ZINC001381639200 899101415 /nfs/dbraw/zinc/10/14/15/899101415.db2.gz AFCIMPJPIVTUKL-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001381639200 899101426 /nfs/dbraw/zinc/10/14/26/899101426.db2.gz AFCIMPJPIVTUKL-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001381639200 899101435 /nfs/dbraw/zinc/10/14/35/899101435.db2.gz AFCIMPJPIVTUKL-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001381916367 899130320 /nfs/dbraw/zinc/13/03/20/899130320.db2.gz GNJUSAMBMHWRBA-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001382028305 899142960 /nfs/dbraw/zinc/14/29/60/899142960.db2.gz CEAREZGIBLXCDA-YPMHNXCESA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001382121619 899161307 /nfs/dbraw/zinc/16/13/07/899161307.db2.gz LYIYHNNNHYHYTE-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC ZINC001382142588 899163675 /nfs/dbraw/zinc/16/36/75/899163675.db2.gz OQEQIHUNAYUXOD-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382152757 899167947 /nfs/dbraw/zinc/16/79/47/899167947.db2.gz MJGOXMSHSJWTQN-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382275346 899230970 /nfs/dbraw/zinc/23/09/70/899230970.db2.gz SLLIZAPAHLUNEP-NEPJUHHUSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382275346 899230983 /nfs/dbraw/zinc/23/09/83/899230983.db2.gz SLLIZAPAHLUNEP-NEPJUHHUSA-N 2 1 296.371 -0.499 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC(C)C)C1 ZINC001382283349 899233516 /nfs/dbraw/zinc/23/35/16/899233516.db2.gz MRCGYZBEHXFMQM-OLZOCXBDSA-N 2 1 287.404 -0.570 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC(C)C)C1 ZINC001382283349 899233526 /nfs/dbraw/zinc/23/35/26/899233526.db2.gz MRCGYZBEHXFMQM-OLZOCXBDSA-N 2 1 287.404 -0.570 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001455260851 914328885 /nfs/dbraw/zinc/32/88/85/914328885.db2.gz IFMSNEBHAKDDBJ-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CO[C@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001382408465 899281467 /nfs/dbraw/zinc/28/14/67/899281467.db2.gz ORYCNSHSHZWLBV-OLZOCXBDSA-N 2 1 298.387 -0.365 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@H](C)O ZINC001382462657 899305871 /nfs/dbraw/zinc/30/58/71/899305871.db2.gz QARVTUSXXMRMTE-STQMWFEESA-N 2 1 298.387 -0.677 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@H](C)O ZINC001382462657 899305880 /nfs/dbraw/zinc/30/58/80/899305880.db2.gz QARVTUSXXMRMTE-STQMWFEESA-N 2 1 298.387 -0.677 20 0 CBADMP C[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001388649156 899894671 /nfs/dbraw/zinc/89/46/71/899894671.db2.gz JXUIZCZXWIIKBE-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001388649156 899894682 /nfs/dbraw/zinc/89/46/82/899894682.db2.gz JXUIZCZXWIIKBE-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001388672667 899898361 /nfs/dbraw/zinc/89/83/61/899898361.db2.gz QWKXCPHZDIGZMC-CRWXNKLISA-N 2 1 299.415 -0.428 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001388709797 899904740 /nfs/dbraw/zinc/90/47/40/899904740.db2.gz YZXAVUYYRUGDCG-AAVRWANBSA-N 2 1 299.415 -0.164 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001388709797 899904747 /nfs/dbraw/zinc/90/47/47/899904747.db2.gz YZXAVUYYRUGDCG-AAVRWANBSA-N 2 1 299.415 -0.164 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001388736880 899908874 /nfs/dbraw/zinc/90/88/74/899908874.db2.gz UDSMDZVULGMFHV-AVGNSLFASA-N 2 1 296.415 -0.441 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001389266925 899981132 /nfs/dbraw/zinc/98/11/32/899981132.db2.gz RQDBVRAFIYVLMA-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001389337624 899997185 /nfs/dbraw/zinc/99/71/85/899997185.db2.gz CDWIBWMQOGXVHJ-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001389337624 899997196 /nfs/dbraw/zinc/99/71/96/899997196.db2.gz CDWIBWMQOGXVHJ-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001389337624 899997207 /nfs/dbraw/zinc/99/72/07/899997207.db2.gz CDWIBWMQOGXVHJ-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001389481836 900025584 /nfs/dbraw/zinc/02/55/84/900025584.db2.gz MSQCIOHBNWNYFS-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001389481836 900025590 /nfs/dbraw/zinc/02/55/90/900025590.db2.gz MSQCIOHBNWNYFS-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001389851107 900082892 /nfs/dbraw/zinc/08/28/92/900082892.db2.gz WVYZAFLLNVFXLA-DDHJBXDOSA-N 2 1 282.388 -0.691 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001390053443 900108252 /nfs/dbraw/zinc/10/82/52/900108252.db2.gz BDUQBTHPUURQAZ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001390402022 900149835 /nfs/dbraw/zinc/14/98/35/900149835.db2.gz PPLZQAWKSHWKCH-AAEUAGOBSA-N 2 1 296.419 -0.004 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001390459653 900166145 /nfs/dbraw/zinc/16/61/45/900166145.db2.gz MKIKSEDQDOSVOW-SDDRHHMPSA-N 2 1 273.377 -0.818 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nccn1C ZINC001390522318 900181698 /nfs/dbraw/zinc/18/16/98/900181698.db2.gz QRKWMABWQPPVMZ-VXGBXAGGSA-N 2 1 279.388 -0.034 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nccn1C ZINC001390522318 900181705 /nfs/dbraw/zinc/18/17/05/900181705.db2.gz QRKWMABWQPPVMZ-VXGBXAGGSA-N 2 1 279.388 -0.034 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001390538775 900184052 /nfs/dbraw/zinc/18/40/52/900184052.db2.gz PAFSCUSQJVVIAL-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001390548855 900188135 /nfs/dbraw/zinc/18/81/35/900188135.db2.gz FXQJTZSTQLKTCT-QWHCGFSZSA-N 2 1 294.399 -0.450 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001390557206 900189410 /nfs/dbraw/zinc/18/94/10/900189410.db2.gz NZBTWDHAIWXYHO-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001390569940 900190194 /nfs/dbraw/zinc/19/01/94/900190194.db2.gz HZPRBOWUJFGRBL-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001390569940 900190196 /nfs/dbraw/zinc/19/01/96/900190196.db2.gz HZPRBOWUJFGRBL-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001390577178 900191952 /nfs/dbraw/zinc/19/19/52/900191952.db2.gz SINVUURELUXETH-ZDUSSCGKSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001390618965 900198200 /nfs/dbraw/zinc/19/82/00/900198200.db2.gz CODZZRDFFAJQNE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001390618965 900198204 /nfs/dbraw/zinc/19/82/04/900198204.db2.gz CODZZRDFFAJQNE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001390618965 900198211 /nfs/dbraw/zinc/19/82/11/900198211.db2.gz CODZZRDFFAJQNE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001390618965 900198220 /nfs/dbraw/zinc/19/82/20/900198220.db2.gz CODZZRDFFAJQNE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001390635628 900200901 /nfs/dbraw/zinc/20/09/01/900200901.db2.gz IQCXUSWQLUYYAC-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001390635628 900200913 /nfs/dbraw/zinc/20/09/13/900200913.db2.gz IQCXUSWQLUYYAC-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001390635628 900200925 /nfs/dbraw/zinc/20/09/25/900200925.db2.gz IQCXUSWQLUYYAC-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001390635628 900200939 /nfs/dbraw/zinc/20/09/39/900200939.db2.gz IQCXUSWQLUYYAC-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@@H]([NH2+][C@@H](C)CCNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001390684047 900207987 /nfs/dbraw/zinc/20/79/87/900207987.db2.gz XQEJSUHSJKEMNX-CMPLNLGQSA-N 2 1 295.387 -0.060 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001390711319 900216473 /nfs/dbraw/zinc/21/64/73/900216473.db2.gz IUSLEGCVCXFRJF-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001390848923 900269170 /nfs/dbraw/zinc/26/91/70/900269170.db2.gz CDZWQTWTKWKVKN-VXGBXAGGSA-N 2 1 286.420 -0.116 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001390848923 900269181 /nfs/dbraw/zinc/26/91/81/900269181.db2.gz CDZWQTWTKWKVKN-VXGBXAGGSA-N 2 1 286.420 -0.116 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)[C@H]1CCN(C)C1=O ZINC001391028238 900292472 /nfs/dbraw/zinc/29/24/72/900292472.db2.gz XHJMOMFYPBWZFC-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC(=O)NC ZINC001391002723 900293077 /nfs/dbraw/zinc/29/30/77/900293077.db2.gz CBUYOIOMSFHDKO-ZDUSSCGKSA-N 2 1 286.420 -0.243 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC(=O)NC ZINC001391002723 900293085 /nfs/dbraw/zinc/29/30/85/900293085.db2.gz CBUYOIOMSFHDKO-ZDUSSCGKSA-N 2 1 286.420 -0.243 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001391060588 900299634 /nfs/dbraw/zinc/29/96/34/900299634.db2.gz IVXWOPYVXYFRSS-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001391060588 900299648 /nfs/dbraw/zinc/29/96/48/900299648.db2.gz IVXWOPYVXYFRSS-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001391112597 900312877 /nfs/dbraw/zinc/31/28/77/900312877.db2.gz CLOWTMCFHSYYNA-GFCCVEGCSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001391112597 900312887 /nfs/dbraw/zinc/31/28/87/900312887.db2.gz CLOWTMCFHSYYNA-GFCCVEGCSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001391112597 900312900 /nfs/dbraw/zinc/31/29/00/900312900.db2.gz CLOWTMCFHSYYNA-GFCCVEGCSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001391107427 900313712 /nfs/dbraw/zinc/31/37/12/900313712.db2.gz AVGMXPOTEVPCCI-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001391108494 900314569 /nfs/dbraw/zinc/31/45/69/900314569.db2.gz HCEPYMZFZFVRAH-DGCLKSJQSA-N 2 1 284.404 -0.504 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001391108498 900316496 /nfs/dbraw/zinc/31/64/96/900316496.db2.gz HCEPYMZFZFVRAH-WCQYABFASA-N 2 1 284.404 -0.504 20 0 CBADMP CNC(=O)C[N@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001391175791 900331935 /nfs/dbraw/zinc/33/19/35/900331935.db2.gz PKPRWRSLGFBKGC-UHFFFAOYSA-N 2 1 270.377 -0.735 20 0 CBADMP CNC(=O)C[N@@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001391175791 900331941 /nfs/dbraw/zinc/33/19/41/900331941.db2.gz PKPRWRSLGFBKGC-UHFFFAOYSA-N 2 1 270.377 -0.735 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H]1CCCN(C)C1=O ZINC001391223651 900341843 /nfs/dbraw/zinc/34/18/43/900341843.db2.gz BDXZBCSYICHKBD-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001391222927 900343995 /nfs/dbraw/zinc/34/39/95/900343995.db2.gz VGEQDDLSFYOORY-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391340902 900356560 /nfs/dbraw/zinc/35/65/60/900356560.db2.gz QIOOXNWKAIPIIM-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001391340902 900356570 /nfs/dbraw/zinc/35/65/70/900356570.db2.gz QIOOXNWKAIPIIM-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391340902 900356579 /nfs/dbraw/zinc/35/65/79/900356579.db2.gz QIOOXNWKAIPIIM-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001391365100 900359556 /nfs/dbraw/zinc/35/95/56/900359556.db2.gz WJBYHORUBSVHDC-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)C(N)=O)C1 ZINC001391354408 900362074 /nfs/dbraw/zinc/36/20/74/900362074.db2.gz PEKMYLRYMINEDR-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)C(N)=O)C1 ZINC001391354408 900362085 /nfs/dbraw/zinc/36/20/85/900362085.db2.gz PEKMYLRYMINEDR-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001391354408 900362096 /nfs/dbraw/zinc/36/20/96/900362096.db2.gz PEKMYLRYMINEDR-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001391371451 900365632 /nfs/dbraw/zinc/36/56/32/900365632.db2.gz QHJAMQDUKCKDSJ-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCC(=O)NCC1C[NH+](CC(=O)N2CCCC2)C1 ZINC001391495464 900395984 /nfs/dbraw/zinc/39/59/84/900395984.db2.gz LADUKEOQJBBEIF-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001391584358 900413997 /nfs/dbraw/zinc/41/39/97/900413997.db2.gz UFNDUSKNHYMOJL-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001391584358 900414001 /nfs/dbraw/zinc/41/40/01/900414001.db2.gz UFNDUSKNHYMOJL-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001391624068 900421426 /nfs/dbraw/zinc/42/14/26/900421426.db2.gz RSHRONIICDUANJ-CYBMUJFWSA-N 2 1 294.403 -0.238 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001391633099 900422778 /nfs/dbraw/zinc/42/27/78/900422778.db2.gz TWHAZZLERISJSE-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001391633099 900422785 /nfs/dbraw/zinc/42/27/85/900422785.db2.gz TWHAZZLERISJSE-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001391633099 900422795 /nfs/dbraw/zinc/42/27/95/900422795.db2.gz TWHAZZLERISJSE-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001391862482 900454069 /nfs/dbraw/zinc/45/40/69/900454069.db2.gz ZTWCPFANHGCVOQ-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001392084951 900510159 /nfs/dbraw/zinc/51/01/59/900510159.db2.gz USJOXIROWLIVIV-PWSUYJOCSA-N 2 1 295.387 -0.237 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001392103975 900511046 /nfs/dbraw/zinc/51/10/46/900511046.db2.gz WBKOTEGUEBDLKK-LLVKDONJSA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001392129863 900519328 /nfs/dbraw/zinc/51/93/28/900519328.db2.gz HGKHHLUBDFNILQ-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392129863 900519338 /nfs/dbraw/zinc/51/93/38/900519338.db2.gz HGKHHLUBDFNILQ-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001392125051 900519700 /nfs/dbraw/zinc/51/97/00/900519700.db2.gz VUGBHLGYUOPSIC-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001392129851 900519768 /nfs/dbraw/zinc/51/97/68/900519768.db2.gz HGKHHLUBDFNILQ-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392129851 900519782 /nfs/dbraw/zinc/51/97/82/900519782.db2.gz HGKHHLUBDFNILQ-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001392183601 900529776 /nfs/dbraw/zinc/52/97/76/900529776.db2.gz RGESINHTOSPUCC-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001392225893 900536285 /nfs/dbraw/zinc/53/62/85/900536285.db2.gz HHKVMIPZUMCPKU-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001392255285 900542770 /nfs/dbraw/zinc/54/27/70/900542770.db2.gz YSVVINSTRDKZTF-NWDGAFQWSA-N 2 1 284.404 -0.586 20 0 CBADMP CN(CC[N@H+](C)C[C@H]1CCOC1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001392271874 900549703 /nfs/dbraw/zinc/54/97/03/900549703.db2.gz MDDBZAYWSOFNAO-KGLIPLIRSA-N 2 1 299.415 -0.256 20 0 CBADMP CN(CC[N@@H+](C)C[C@H]1CCOC1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001392271874 900549714 /nfs/dbraw/zinc/54/97/14/900549714.db2.gz MDDBZAYWSOFNAO-KGLIPLIRSA-N 2 1 299.415 -0.256 20 0 CBADMP CN(CC[NH+](C)C[C@H]1CCOC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001392271874 900549719 /nfs/dbraw/zinc/54/97/19/900549719.db2.gz MDDBZAYWSOFNAO-KGLIPLIRSA-N 2 1 299.415 -0.256 20 0 CBADMP CN(CC[NH+](C)C[C@H]1CCOC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001392271874 900549729 /nfs/dbraw/zinc/54/97/29/900549729.db2.gz MDDBZAYWSOFNAO-KGLIPLIRSA-N 2 1 299.415 -0.256 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001392348342 900573734 /nfs/dbraw/zinc/57/37/34/900573734.db2.gz YBCNSXRVXHTVRX-DGCLKSJQSA-N 2 1 296.415 -0.170 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001392357294 900581775 /nfs/dbraw/zinc/58/17/75/900581775.db2.gz UNWTYFHRQNYWPA-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001456298677 914457441 /nfs/dbraw/zinc/45/74/41/914457441.db2.gz OXNQEKWVKTWJDE-QWRGUYRKSA-N 2 1 253.346 -0.473 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001456298675 914457504 /nfs/dbraw/zinc/45/75/04/914457504.db2.gz OXNQEKWVKTWJDE-MNOVXSKESA-N 2 1 253.346 -0.473 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)CC1 ZINC001392397488 900602586 /nfs/dbraw/zinc/60/25/86/900602586.db2.gz VRZIGQXHWPCWRR-GFCCVEGCSA-N 2 1 296.371 -0.417 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001392424850 900614720 /nfs/dbraw/zinc/61/47/20/900614720.db2.gz KLQGLZOTAPBVMH-ZIAGYGMSSA-N 2 1 292.383 -0.400 20 0 CBADMP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392426501 900614790 /nfs/dbraw/zinc/61/47/90/900614790.db2.gz MTTUWCAGIOQPMZ-AAEUAGOBSA-N 2 1 296.371 -0.499 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)[C@H]1CCC[N@H+]1C ZINC001392437393 900616249 /nfs/dbraw/zinc/61/62/49/900616249.db2.gz BWMOCRUVIUQHQX-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[NH2+]Cc1nccn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392530289 900647680 /nfs/dbraw/zinc/64/76/80/900647680.db2.gz PEDVZXMVLOTRLU-VXGBXAGGSA-N 2 1 279.388 -0.034 20 0 CBADMP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001392524961 900648026 /nfs/dbraw/zinc/64/80/26/900648026.db2.gz SDEUEIQJBUUICP-NXEZZACHSA-N 2 1 283.380 -0.855 20 0 CBADMP C[C@H](C[NH2+]Cc1nccn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392530288 900648734 /nfs/dbraw/zinc/64/87/34/900648734.db2.gz PEDVZXMVLOTRLU-NEPJUHHUSA-N 2 1 279.388 -0.034 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001392529824 900649351 /nfs/dbraw/zinc/64/93/51/900649351.db2.gz JYVICJCKOIXBFT-PWSUYJOCSA-N 2 1 284.360 -0.707 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001392579500 900666791 /nfs/dbraw/zinc/66/67/91/900666791.db2.gz FOCODCNXQAPDBH-JQWIXIFHSA-N 2 1 293.371 -0.483 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001392579598 900668499 /nfs/dbraw/zinc/66/84/99/900668499.db2.gz HTYQGEFIHIIPDW-CMPLNLGQSA-N 2 1 284.360 -0.707 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001392610270 900676453 /nfs/dbraw/zinc/67/64/53/900676453.db2.gz MVNNZKFARJLNKE-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001392610270 900676442 /nfs/dbraw/zinc/67/64/42/900676442.db2.gz MVNNZKFARJLNKE-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001392617168 900676904 /nfs/dbraw/zinc/67/69/04/900676904.db2.gz YEQVJLCXYJGAHU-JTQLQIEISA-N 2 1 281.360 -0.578 20 0 CBADMP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001392608317 900678055 /nfs/dbraw/zinc/67/80/55/900678055.db2.gz JCYRSFPIVVQQLK-QWRGUYRKSA-N 2 1 282.392 -0.250 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001392673980 900696338 /nfs/dbraw/zinc/69/63/38/900696338.db2.gz CRDVXHPXWAONAQ-RWMBFGLXSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@@H](O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392673980 900696343 /nfs/dbraw/zinc/69/63/43/900696343.db2.gz CRDVXHPXWAONAQ-RWMBFGLXSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@@H](O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392673980 900696350 /nfs/dbraw/zinc/69/63/50/900696350.db2.gz CRDVXHPXWAONAQ-RWMBFGLXSA-N 2 1 287.404 -0.476 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001392797617 900726547 /nfs/dbraw/zinc/72/65/47/900726547.db2.gz FTOTZYNNJCTEKN-STQMWFEESA-N 2 1 296.415 -0.301 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392796481 900728528 /nfs/dbraw/zinc/72/85/28/900728528.db2.gz DWYVFWARHSXXGO-ZYHUDNBSSA-N 2 1 282.388 -0.702 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001392899181 900755367 /nfs/dbraw/zinc/75/53/67/900755367.db2.gz TVDICWQNCHUGGX-LLVKDONJSA-N 2 1 282.388 -0.417 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001393053230 900786866 /nfs/dbraw/zinc/78/68/66/900786866.db2.gz LNECXPOSRHJAEF-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001393086079 900790430 /nfs/dbraw/zinc/79/04/30/900790430.db2.gz MKVTXDWVBVSKAB-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001393086079 900790438 /nfs/dbraw/zinc/79/04/38/900790438.db2.gz MKVTXDWVBVSKAB-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001393143603 900799660 /nfs/dbraw/zinc/79/96/60/900799660.db2.gz LSPFMTYWGRCZHM-DOMZBBRYSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(C)CCC[NH+](CCO)C2)C1 ZINC001393186363 900802554 /nfs/dbraw/zinc/80/25/54/900802554.db2.gz LCVCVXBXXIHVNX-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(C)CCC[NH+](CCO)C2)C1 ZINC001393186363 900802561 /nfs/dbraw/zinc/80/25/61/900802561.db2.gz LCVCVXBXXIHVNX-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@]2(C)CCC[N@H+](CCO)C2)C1 ZINC001393186363 900802565 /nfs/dbraw/zinc/80/25/65/900802565.db2.gz LCVCVXBXXIHVNX-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@]2(C)CCC[N@@H+](CCO)C2)C1 ZINC001393186363 900802572 /nfs/dbraw/zinc/80/25/72/900802572.db2.gz LCVCVXBXXIHVNX-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H](O)C[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001393464039 900861747 /nfs/dbraw/zinc/86/17/47/900861747.db2.gz OXOLVOHOWZDQAH-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001393464039 900861759 /nfs/dbraw/zinc/86/17/59/900861759.db2.gz OXOLVOHOWZDQAH-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001393643810 900885641 /nfs/dbraw/zinc/88/56/41/900885641.db2.gz JFOYQELXMYQBTB-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001393644804 900886884 /nfs/dbraw/zinc/88/68/84/900886884.db2.gz QBTDTMMXRJXRMF-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H]([NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001393809985 900908399 /nfs/dbraw/zinc/90/83/99/900908399.db2.gz ACDKQMDJEDWHKT-QJPTWQEYSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ncnn1C ZINC001393965728 900942484 /nfs/dbraw/zinc/94/24/84/900942484.db2.gz FOEUIAAVBGFLPD-QWRGUYRKSA-N 2 1 282.392 -0.250 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001394261866 901003172 /nfs/dbraw/zinc/00/31/72/901003172.db2.gz JWRPYFQWXXCYQX-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001394261866 901003185 /nfs/dbraw/zinc/00/31/85/901003185.db2.gz JWRPYFQWXXCYQX-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001394270224 901007854 /nfs/dbraw/zinc/00/78/54/901007854.db2.gz MIVBUSVBQKSIPA-GFCCVEGCSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001394270224 901007859 /nfs/dbraw/zinc/00/78/59/901007859.db2.gz MIVBUSVBQKSIPA-GFCCVEGCSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001394368040 901019450 /nfs/dbraw/zinc/01/94/50/901019450.db2.gz MKILITZPZSZSQU-LPWJVIDDSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001394368040 901019456 /nfs/dbraw/zinc/01/94/56/901019456.db2.gz MKILITZPZSZSQU-LPWJVIDDSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001394370773 901021109 /nfs/dbraw/zinc/02/11/09/901021109.db2.gz AABFXNVGOCCRHD-SRVKXCTJSA-N 2 1 296.415 -0.171 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001394499506 901038171 /nfs/dbraw/zinc/03/81/71/901038171.db2.gz FXVITVGAYHLJRY-SNVBAGLBSA-N 2 1 281.360 -0.626 20 0 CBADMP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001394509788 901041929 /nfs/dbraw/zinc/04/19/29/901041929.db2.gz RLLUFNSMHAJTRJ-CMPLNLGQSA-N 2 1 295.387 -0.108 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001394552581 901048108 /nfs/dbraw/zinc/04/81/08/901048108.db2.gz IAWDOYOQRFPELG-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001394573028 901062723 /nfs/dbraw/zinc/06/27/23/901062723.db2.gz BFJHVWWFWSTWTE-YPMHNXCESA-N 2 1 295.387 -0.919 20 0 CBADMP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001394616677 901089212 /nfs/dbraw/zinc/08/92/12/901089212.db2.gz NPNJYBWSVVPMEL-CHWSQXEVSA-N 2 1 295.387 -0.919 20 0 CBADMP CO[C@H](C)C[NH2+][C@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001394620266 901093536 /nfs/dbraw/zinc/09/35/36/901093536.db2.gz WZPRQERTEFGPNY-NEPJUHHUSA-N 2 1 284.360 -0.707 20 0 CBADMP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)on1 ZINC001394658590 901112960 /nfs/dbraw/zinc/11/29/60/901112960.db2.gz YCSFKSHVTXKDLT-NWDGAFQWSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)on1 ZINC001394658590 901112972 /nfs/dbraw/zinc/11/29/72/901112972.db2.gz YCSFKSHVTXKDLT-NWDGAFQWSA-N 2 1 296.371 -0.499 20 0 CBADMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC(=O)N(C)C ZINC001394720059 901122168 /nfs/dbraw/zinc/12/21/68/901122168.db2.gz WYMYBCZVSHJXKF-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1CC(=O)N(C)C ZINC001394720059 901122172 /nfs/dbraw/zinc/12/21/72/901122172.db2.gz WYMYBCZVSHJXKF-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001394731841 901134343 /nfs/dbraw/zinc/13/43/43/901134343.db2.gz BSBQPBJKOCTFOT-VXGBXAGGSA-N 2 1 273.377 -0.866 20 0 CBADMP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001394731841 901134351 /nfs/dbraw/zinc/13/43/51/901134351.db2.gz BSBQPBJKOCTFOT-VXGBXAGGSA-N 2 1 273.377 -0.866 20 0 CBADMP CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001394748067 901140020 /nfs/dbraw/zinc/14/00/20/901140020.db2.gz ZQOHZLOTGSLPKM-JTQLQIEISA-N 2 1 284.360 -0.221 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001394772478 901151521 /nfs/dbraw/zinc/15/15/21/901151521.db2.gz XRUGMQFPTAACGS-STQMWFEESA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001394772478 901151530 /nfs/dbraw/zinc/15/15/30/901151530.db2.gz XRUGMQFPTAACGS-STQMWFEESA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001394772478 901151539 /nfs/dbraw/zinc/15/15/39/901151539.db2.gz XRUGMQFPTAACGS-STQMWFEESA-N 2 1 287.404 -0.786 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H]1CC[N@H+]1CCO ZINC001397024242 901356777 /nfs/dbraw/zinc/35/67/77/901356777.db2.gz BWGZQGOJQBSCID-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001397144566 901368850 /nfs/dbraw/zinc/36/88/50/901368850.db2.gz QEUWRAKPJMSUIN-JOCQHMNTSA-N 2 1 285.388 -0.815 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001397258510 901382246 /nfs/dbraw/zinc/38/22/46/901382246.db2.gz NUMYUPHRVZBQFZ-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001397258510 901382256 /nfs/dbraw/zinc/38/22/56/901382256.db2.gz NUMYUPHRVZBQFZ-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001397258510 901382264 /nfs/dbraw/zinc/38/22/64/901382264.db2.gz NUMYUPHRVZBQFZ-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001397258510 901382271 /nfs/dbraw/zinc/38/22/71/901382271.db2.gz NUMYUPHRVZBQFZ-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001397602629 901436542 /nfs/dbraw/zinc/43/65/42/901436542.db2.gz FFZPKADGAQJQEQ-FRRDWIJNSA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC)[C@@H]1C ZINC001397804882 901457415 /nfs/dbraw/zinc/45/74/15/901457415.db2.gz ZKUFNICLXVGTMZ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC)[C@@H]1C ZINC001397804882 901457423 /nfs/dbraw/zinc/45/74/23/901457423.db2.gz ZKUFNICLXVGTMZ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC)[C@@H]1C ZINC001397804882 901457436 /nfs/dbraw/zinc/45/74/36/901457436.db2.gz ZKUFNICLXVGTMZ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)[C@@H]1C ZINC001397804882 901457447 /nfs/dbraw/zinc/45/74/47/901457447.db2.gz ZKUFNICLXVGTMZ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)[C@@H]1C)[NH+](C)C ZINC001397797190 901458389 /nfs/dbraw/zinc/45/83/89/901458389.db2.gz KVXXCVWQRQHNBH-AGIUHOORSA-N 2 1 298.431 -0.006 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)[C@@H]1C)[NH+](C)C ZINC001397797190 901458395 /nfs/dbraw/zinc/45/83/95/901458395.db2.gz KVXXCVWQRQHNBH-AGIUHOORSA-N 2 1 298.431 -0.006 20 0 CBADMP CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)CC[NH+](C)C ZINC001397981532 901486182 /nfs/dbraw/zinc/48/61/82/901486182.db2.gz IMYPZYFDNLAHOS-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCN(CCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001398134002 901502317 /nfs/dbraw/zinc/50/23/17/901502317.db2.gz OWABDCVYUPFXIX-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001398343936 901527140 /nfs/dbraw/zinc/52/71/40/901527140.db2.gz SZTTVLODIUUOSJ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001398343936 901527153 /nfs/dbraw/zinc/52/71/53/901527153.db2.gz SZTTVLODIUUOSJ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001398343936 901527167 /nfs/dbraw/zinc/52/71/67/901527167.db2.gz SZTTVLODIUUOSJ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001398343936 901527181 /nfs/dbraw/zinc/52/71/81/901527181.db2.gz SZTTVLODIUUOSJ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001398345357 901527645 /nfs/dbraw/zinc/52/76/45/901527645.db2.gz RLGROXVXJSDJMJ-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001398345357 901527654 /nfs/dbraw/zinc/52/76/54/901527654.db2.gz RLGROXVXJSDJMJ-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001398345357 901527664 /nfs/dbraw/zinc/52/76/64/901527664.db2.gz RLGROXVXJSDJMJ-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001398345357 901527669 /nfs/dbraw/zinc/52/76/69/901527669.db2.gz RLGROXVXJSDJMJ-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001398572922 901565745 /nfs/dbraw/zinc/56/57/45/901565745.db2.gz YLWGTUNMJJAKGC-XYPYZODXSA-N 2 1 270.377 -0.560 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)CCC1 ZINC001398706721 901593292 /nfs/dbraw/zinc/59/32/92/901593292.db2.gz SXYCUPGNDKMZBI-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)CCC1 ZINC001398706721 901593304 /nfs/dbraw/zinc/59/33/04/901593304.db2.gz SXYCUPGNDKMZBI-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP 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 901605471 /nfs/dbraw/zinc/60/54/71/901605471.db2.gz OXIUTFODDHZASX-LBELIVKGSA-N 2 1 296.415 -0.493 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NCC1CC1 ZINC001398889672 901621719 /nfs/dbraw/zinc/62/17/19/901621719.db2.gz SVMUYVTVKNPBIS-YPMHNXCESA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cnn(C)n1 ZINC001398925378 901636151 /nfs/dbraw/zinc/63/61/51/901636151.db2.gz QNYHCYIUIPGHNJ-NQBHXWOUSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cnn(C)n1 ZINC001398925378 901636163 /nfs/dbraw/zinc/63/61/63/901636163.db2.gz QNYHCYIUIPGHNJ-NQBHXWOUSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nnnn1C1CC1 ZINC001399020231 901651687 /nfs/dbraw/zinc/65/16/87/901651687.db2.gz IVQVQSIOXZWGAG-SNVBAGLBSA-N 2 1 295.391 -0.446 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(N)=O)C2 ZINC001399039070 901654128 /nfs/dbraw/zinc/65/41/28/901654128.db2.gz UIANLPUWLLHXQS-MWLCHTKSSA-N 2 1 293.371 -0.666 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001399069607 901658395 /nfs/dbraw/zinc/65/83/95/901658395.db2.gz ADEZPHPSRATYQV-NSHDSACASA-N 2 1 295.387 -0.153 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001399098167 901666377 /nfs/dbraw/zinc/66/63/77/901666377.db2.gz MCPCQPLZKBIEPR-QWRGUYRKSA-N 2 1 297.407 -0.293 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001399098167 901666382 /nfs/dbraw/zinc/66/63/82/901666382.db2.gz MCPCQPLZKBIEPR-QWRGUYRKSA-N 2 1 297.407 -0.293 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001399177151 901680119 /nfs/dbraw/zinc/68/01/19/901680119.db2.gz VSJCTMDQYOYPMV-GHMZBOCLSA-N 2 1 270.377 -0.691 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001399217668 901684096 /nfs/dbraw/zinc/68/40/96/901684096.db2.gz FTHSJXXDPSCMAE-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001399258756 901688376 /nfs/dbraw/zinc/68/83/76/901688376.db2.gz XCHJWLDUMNXOEQ-NEPJUHHUSA-N 2 1 284.404 -0.362 20 0 CBADMP C[NH+](C)CC1(C(=O)NCC[N@H+](C)[C@H]2CCNC2=O)CC1 ZINC001399571591 901749782 /nfs/dbraw/zinc/74/97/82/901749782.db2.gz SSHZOFDTROYCON-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC001399571591 901749788 /nfs/dbraw/zinc/74/97/88/901749788.db2.gz SSHZOFDTROYCON-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001399574916 901754669 /nfs/dbraw/zinc/75/46/69/901754669.db2.gz JPLUHHUDAHSTAP-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001399574916 901754683 /nfs/dbraw/zinc/75/46/83/901754683.db2.gz JPLUHHUDAHSTAP-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001399869559 901821100 /nfs/dbraw/zinc/82/11/00/901821100.db2.gz LAHZMZZLFSKXGT-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001399869559 901821105 /nfs/dbraw/zinc/82/11/05/901821105.db2.gz LAHZMZZLFSKXGT-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001399869559 901821111 /nfs/dbraw/zinc/82/11/11/901821111.db2.gz LAHZMZZLFSKXGT-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001399869559 901821117 /nfs/dbraw/zinc/82/11/17/901821117.db2.gz LAHZMZZLFSKXGT-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001399996893 901851515 /nfs/dbraw/zinc/85/15/15/901851515.db2.gz OEPLGMZPMUQNAU-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001399996893 901851520 /nfs/dbraw/zinc/85/15/20/901851520.db2.gz OEPLGMZPMUQNAU-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001399996893 901851525 /nfs/dbraw/zinc/85/15/25/901851525.db2.gz OEPLGMZPMUQNAU-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001399996893 901851530 /nfs/dbraw/zinc/85/15/30/901851530.db2.gz OEPLGMZPMUQNAU-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001400082333 901874026 /nfs/dbraw/zinc/87/40/26/901874026.db2.gz IVYDBGCUNWRWGS-SNVBAGLBSA-N 2 1 281.360 -0.626 20 0 CBADMP CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001400190849 901892827 /nfs/dbraw/zinc/89/28/27/901892827.db2.gz ZJNOXABKAWLGHB-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001400500909 901956170 /nfs/dbraw/zinc/95/61/70/901956170.db2.gz KOIJVFXUGRFNMM-AAEUAGOBSA-N 2 1 298.431 -0.245 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001400550104 901967326 /nfs/dbraw/zinc/96/73/26/901967326.db2.gz VYQODYLZVJJRGA-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001400550104 901967309 /nfs/dbraw/zinc/96/73/09/901967309.db2.gz VYQODYLZVJJRGA-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001400617178 901981141 /nfs/dbraw/zinc/98/11/41/901981141.db2.gz ZDPGXRJZOCLYBM-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001400617178 901981147 /nfs/dbraw/zinc/98/11/47/901981147.db2.gz ZDPGXRJZOCLYBM-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001400617178 901981155 /nfs/dbraw/zinc/98/11/55/901981155.db2.gz ZDPGXRJZOCLYBM-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001400617178 901981162 /nfs/dbraw/zinc/98/11/62/901981162.db2.gz ZDPGXRJZOCLYBM-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001400659193 901989572 /nfs/dbraw/zinc/98/95/72/901989572.db2.gz PXEWQWIHAZRAJD-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001400659193 901989579 /nfs/dbraw/zinc/98/95/79/901989579.db2.gz PXEWQWIHAZRAJD-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001400659193 901989585 /nfs/dbraw/zinc/98/95/85/901989585.db2.gz PXEWQWIHAZRAJD-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001400660907 901991643 /nfs/dbraw/zinc/99/16/43/901991643.db2.gz GGMVFBLNNOSWPW-YIYPIFLZSA-N 2 1 299.415 -0.476 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001400660907 901991653 /nfs/dbraw/zinc/99/16/53/901991653.db2.gz GGMVFBLNNOSWPW-YIYPIFLZSA-N 2 1 299.415 -0.476 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001400660907 901991664 /nfs/dbraw/zinc/99/16/64/901991664.db2.gz GGMVFBLNNOSWPW-YIYPIFLZSA-N 2 1 299.415 -0.476 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001400807393 902020471 /nfs/dbraw/zinc/02/04/71/902020471.db2.gz UXMMTGQLDFTXRB-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001401205771 902078249 /nfs/dbraw/zinc/07/82/49/902078249.db2.gz UDKDYGNTPFHTJW-AAEUAGOBSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001401205771 902078257 /nfs/dbraw/zinc/07/82/57/902078257.db2.gz UDKDYGNTPFHTJW-AAEUAGOBSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001401258189 902095290 /nfs/dbraw/zinc/09/52/90/902095290.db2.gz KZLBDJBXOLJZBF-PWSUYJOCSA-N 2 1 295.387 -0.108 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401260795 902095760 /nfs/dbraw/zinc/09/57/60/902095760.db2.gz OUJYSCAMRNEULI-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401260795 902095775 /nfs/dbraw/zinc/09/57/75/902095775.db2.gz OUJYSCAMRNEULI-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401260796 902096596 /nfs/dbraw/zinc/09/65/96/902096596.db2.gz OUJYSCAMRNEULI-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401260796 902096608 /nfs/dbraw/zinc/09/66/08/902096608.db2.gz OUJYSCAMRNEULI-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401437940 902123186 /nfs/dbraw/zinc/12/31/86/902123186.db2.gz XJLMGBQMHPWDGS-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401437940 902123196 /nfs/dbraw/zinc/12/31/96/902123196.db2.gz XJLMGBQMHPWDGS-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001401441612 902123817 /nfs/dbraw/zinc/12/38/17/902123817.db2.gz UPSGZUSETGAYQA-ZDUSSCGKSA-N 2 1 298.431 -0.193 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001401441612 902123822 /nfs/dbraw/zinc/12/38/22/902123822.db2.gz UPSGZUSETGAYQA-ZDUSSCGKSA-N 2 1 298.431 -0.193 20 0 CBADMP CCN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401441612 902123830 /nfs/dbraw/zinc/12/38/30/902123830.db2.gz UPSGZUSETGAYQA-ZDUSSCGKSA-N 2 1 298.431 -0.193 20 0 CBADMP CCN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401441612 902123834 /nfs/dbraw/zinc/12/38/34/902123834.db2.gz UPSGZUSETGAYQA-ZDUSSCGKSA-N 2 1 298.431 -0.193 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001401435003 902124101 /nfs/dbraw/zinc/12/41/01/902124101.db2.gz GWVPDMWVOQMRNS-CHWSQXEVSA-N 2 1 287.404 -0.664 20 0 CBADMP COC[C@H](O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401435003 902124105 /nfs/dbraw/zinc/12/41/05/902124105.db2.gz GWVPDMWVOQMRNS-CHWSQXEVSA-N 2 1 287.404 -0.664 20 0 CBADMP COC[C@H](O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401435003 902124109 /nfs/dbraw/zinc/12/41/09/902124109.db2.gz GWVPDMWVOQMRNS-CHWSQXEVSA-N 2 1 287.404 -0.664 20 0 CBADMP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001401594901 902181779 /nfs/dbraw/zinc/18/17/79/902181779.db2.gz BXWIOLHZFAPSIR-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401598036 902182615 /nfs/dbraw/zinc/18/26/15/902182615.db2.gz CNBZRMUBMQOHKS-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H]([NH2+]CCN(CC)C(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001401605922 902185925 /nfs/dbraw/zinc/18/59/25/902185925.db2.gz DSGFRVSZPXNQGN-GFCCVEGCSA-N 2 1 295.387 -0.106 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001401609653 902189417 /nfs/dbraw/zinc/18/94/17/902189417.db2.gz LFJANGKTVMSJKN-NWDGAFQWSA-N 2 1 284.404 -0.314 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC ZINC001401626011 902201622 /nfs/dbraw/zinc/20/16/22/902201622.db2.gz DTHDQNMGRBZSII-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CCn1nncc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401669449 902216954 /nfs/dbraw/zinc/21/69/54/902216954.db2.gz ODFJSHNGRCTCQI-VXGBXAGGSA-N 2 1 294.403 -0.156 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001401677380 902223677 /nfs/dbraw/zinc/22/36/77/902223677.db2.gz YLESDNXQLHITKI-JQWIXIFHSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnnn1C)[NH+](C)C ZINC001401695750 902234199 /nfs/dbraw/zinc/23/41/99/902234199.db2.gz UVFAONBIWIHPBR-GARJFASQSA-N 2 1 297.407 -0.294 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001401695787 902234293 /nfs/dbraw/zinc/23/42/93/902234293.db2.gz VYEXKXSFBQTKGJ-QWRGUYRKSA-N 2 1 270.377 -0.689 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001401697670 902236697 /nfs/dbraw/zinc/23/66/97/902236697.db2.gz KRPJQPFQTLNMLS-CYDGBPFRSA-N 2 1 298.431 -0.055 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001401692006 902236780 /nfs/dbraw/zinc/23/67/80/902236780.db2.gz YQQAFANSROBDPV-ONGXEEELSA-N 2 1 281.360 -0.580 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@H]1CCN(C)C1=O)NC(=O)CCC[NH+](C)C ZINC001401783325 902271529 /nfs/dbraw/zinc/27/15/29/902271529.db2.gz LJGAOVZEYFWYKY-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001401777645 902271694 /nfs/dbraw/zinc/27/16/94/902271694.db2.gz HELVYYICSZTPOA-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001401777645 902271701 /nfs/dbraw/zinc/27/17/01/902271701.db2.gz HELVYYICSZTPOA-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001401777645 902271709 /nfs/dbraw/zinc/27/17/09/902271709.db2.gz HELVYYICSZTPOA-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001401777645 902271718 /nfs/dbraw/zinc/27/17/18/902271718.db2.gz HELVYYICSZTPOA-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001401793723 902277831 /nfs/dbraw/zinc/27/78/31/902277831.db2.gz CBTLQSOARBSLMK-MNOVXSKESA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001401793723 902277819 /nfs/dbraw/zinc/27/78/19/902277819.db2.gz CBTLQSOARBSLMK-MNOVXSKESA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001401793100 902280480 /nfs/dbraw/zinc/28/04/80/902280480.db2.gz BDFJSURNRBLESD-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001401793100 902280489 /nfs/dbraw/zinc/28/04/89/902280489.db2.gz BDFJSURNRBLESD-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001401793100 902280496 /nfs/dbraw/zinc/28/04/96/902280496.db2.gz BDFJSURNRBLESD-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001401793100 902280501 /nfs/dbraw/zinc/28/05/01/902280501.db2.gz BDFJSURNRBLESD-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001402086129 902350309 /nfs/dbraw/zinc/35/03/09/902350309.db2.gz ZTWCPFANHGCVOQ-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001402142471 902371522 /nfs/dbraw/zinc/37/15/22/902371522.db2.gz MTNDMACEQJFJKV-AWEZNQCLSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001402142471 902371530 /nfs/dbraw/zinc/37/15/30/902371530.db2.gz MTNDMACEQJFJKV-AWEZNQCLSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001402167493 902375494 /nfs/dbraw/zinc/37/54/94/902375494.db2.gz FMRFWVNAWNWFSM-CQSZACIVSA-N 2 1 284.404 -0.358 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001402251438 902388423 /nfs/dbraw/zinc/38/84/23/902388423.db2.gz XFJFTZIFIDVCCL-CHWSQXEVSA-N 2 1 299.415 -0.426 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001402297888 902415340 /nfs/dbraw/zinc/41/53/40/902415340.db2.gz YBHXIOQCGKHMQC-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001402297888 902415344 /nfs/dbraw/zinc/41/53/44/902415344.db2.gz YBHXIOQCGKHMQC-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001402297888 902415347 /nfs/dbraw/zinc/41/53/47/902415347.db2.gz YBHXIOQCGKHMQC-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001402299485 902415437 /nfs/dbraw/zinc/41/54/37/902415437.db2.gz VPPWZWDADFYHPX-OCCSQVGLSA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001402299485 902415442 /nfs/dbraw/zinc/41/54/42/902415442.db2.gz VPPWZWDADFYHPX-OCCSQVGLSA-N 2 1 296.371 -0.875 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001402464005 902460773 /nfs/dbraw/zinc/46/07/73/902460773.db2.gz UAJBZCUTXJDNKC-PWSUYJOCSA-N 2 1 293.371 -0.483 20 0 CBADMP CC[C@H](C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)OC ZINC001402490333 902463367 /nfs/dbraw/zinc/46/33/67/902463367.db2.gz FAHRPPBWGMMLEN-SYQHCUMBSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[C@H](C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)OC ZINC001402490333 902463376 /nfs/dbraw/zinc/46/33/76/902463376.db2.gz FAHRPPBWGMMLEN-SYQHCUMBSA-N 2 1 299.415 -0.021 20 0 CBADMP 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 902477639 /nfs/dbraw/zinc/47/76/39/902477639.db2.gz ZHMVXDSUQRGLBT-YVECIDJPSA-N 2 1 296.415 -0.348 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCC1 ZINC001402580669 902483902 /nfs/dbraw/zinc/48/39/02/902483902.db2.gz SETKADLATZDZIH-CYBMUJFWSA-N 2 1 299.415 -0.282 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001402583932 902484129 /nfs/dbraw/zinc/48/41/29/902484129.db2.gz NJZHPJNLBKGFBU-SRVKXCTJSA-N 2 1 293.371 -0.437 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC001402622506 902494362 /nfs/dbraw/zinc/49/43/62/902494362.db2.gz LLVQQIPALPHZGO-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001402657155 902499175 /nfs/dbraw/zinc/49/91/75/902499175.db2.gz NGBDQMRXFSIFBO-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC2(C[NH+](CCCO)C2)O1 ZINC001402677693 902502734 /nfs/dbraw/zinc/50/27/34/902502734.db2.gz FIJPXOPJHURRNM-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001402674336 902503032 /nfs/dbraw/zinc/50/30/32/902503032.db2.gz WYANHPPXBOMZBH-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001402674336 902503038 /nfs/dbraw/zinc/50/30/38/902503038.db2.gz WYANHPPXBOMZBH-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001402674332 902503242 /nfs/dbraw/zinc/50/32/42/902503242.db2.gz WYANHPPXBOMZBH-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001402674332 902503247 /nfs/dbraw/zinc/50/32/47/902503247.db2.gz WYANHPPXBOMZBH-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001402713827 902507593 /nfs/dbraw/zinc/50/75/93/902507593.db2.gz HSBMRIVTWCZGSQ-VXGBXAGGSA-N 2 1 282.388 -0.748 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001402748852 902511281 /nfs/dbraw/zinc/51/12/81/902511281.db2.gz HAWYNZMVIPFHQI-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001402752839 902514941 /nfs/dbraw/zinc/51/49/41/902514941.db2.gz CSSICOTXQZSMNH-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402760959 902515447 /nfs/dbraw/zinc/51/54/47/902515447.db2.gz QHJAMQDUKCKDSJ-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001402752550 902516463 /nfs/dbraw/zinc/51/64/63/902516463.db2.gz MWYYYIDRGHFNNN-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP CCn1ncnc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001402847223 902534390 /nfs/dbraw/zinc/53/43/90/902534390.db2.gz DPECBTDOJCVTKW-NEPJUHHUSA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1ncnc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001402847223 902534399 /nfs/dbraw/zinc/53/43/99/902534399.db2.gz DPECBTDOJCVTKW-NEPJUHHUSA-N 2 1 294.403 -0.014 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001402858510 902542128 /nfs/dbraw/zinc/54/21/28/902542128.db2.gz QLUQIIDRDGKGCO-UWVGGRQHSA-N 2 1 281.360 -0.450 20 0 CBADMP Cc1ncoc1CN[C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001402865700 902543246 /nfs/dbraw/zinc/54/32/46/902543246.db2.gz LHEPCRQLSXFFCY-MFKMUULPSA-N 2 1 296.371 -0.092 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001402892148 902552024 /nfs/dbraw/zinc/55/20/24/902552024.db2.gz OBXLRGFICOLGCS-FRRDWIJNSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001402888777 902552561 /nfs/dbraw/zinc/55/25/61/902552561.db2.gz OUQPJZISVWWMGK-NEPJUHHUSA-N 2 1 284.404 -0.301 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001402892149 902554073 /nfs/dbraw/zinc/55/40/73/902554073.db2.gz OBXLRGFICOLGCS-RWMBFGLXSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CC(=O)NC ZINC001402930800 902562998 /nfs/dbraw/zinc/56/29/98/902562998.db2.gz UAIBXFSFNSKSAZ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CC(=O)NC ZINC001402930800 902563009 /nfs/dbraw/zinc/56/30/09/902563009.db2.gz UAIBXFSFNSKSAZ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=O)NC ZINC001402930800 902563015 /nfs/dbraw/zinc/56/30/15/902563015.db2.gz UAIBXFSFNSKSAZ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=O)NC ZINC001402930800 902563026 /nfs/dbraw/zinc/56/30/26/902563026.db2.gz UAIBXFSFNSKSAZ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O ZINC001402921729 902565941 /nfs/dbraw/zinc/56/59/41/902565941.db2.gz NJQNMCQMOPFXMG-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CC(N)=O ZINC001402921729 902565913 /nfs/dbraw/zinc/56/59/13/902565913.db2.gz NJQNMCQMOPFXMG-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CC(N)=O ZINC001402921729 902565922 /nfs/dbraw/zinc/56/59/22/902565922.db2.gz NJQNMCQMOPFXMG-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O ZINC001402921729 902565933 /nfs/dbraw/zinc/56/59/33/902565933.db2.gz NJQNMCQMOPFXMG-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(N)=O ZINC001402989731 902584531 /nfs/dbraw/zinc/58/45/31/902584531.db2.gz YOLSZPJQZXRXMQ-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(N)=O ZINC001402989731 902584539 /nfs/dbraw/zinc/58/45/39/902584539.db2.gz YOLSZPJQZXRXMQ-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1nncn1C ZINC001403074375 902607922 /nfs/dbraw/zinc/60/79/22/902607922.db2.gz IQEAMOKRGSKOEG-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1nncn1C ZINC001403074375 902607933 /nfs/dbraw/zinc/60/79/33/902607933.db2.gz IQEAMOKRGSKOEG-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CO[C@H](C)C[NH2+][C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001403072593 902609922 /nfs/dbraw/zinc/60/99/22/902609922.db2.gz OVBJZCUJKCPVIF-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001403107101 902616605 /nfs/dbraw/zinc/61/66/05/902616605.db2.gz RXUIPCMPECKQNZ-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001403149939 902630783 /nfs/dbraw/zinc/63/07/83/902630783.db2.gz ZENRVVKEAIIXJI-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC(=O)N(C)C1CC1 ZINC001403171831 902639388 /nfs/dbraw/zinc/63/93/88/902639388.db2.gz SBMYGBNPMAVJOS-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001403171831 902639396 /nfs/dbraw/zinc/63/93/96/902639396.db2.gz SBMYGBNPMAVJOS-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001403182388 902640062 /nfs/dbraw/zinc/64/00/62/902640062.db2.gz LJVYHACRPJJPLZ-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@H]1CCCNC1=O ZINC001403174196 902640705 /nfs/dbraw/zinc/64/07/05/902640705.db2.gz XQOKSFCELCTXGW-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@@H]1CCN(C)C1=O ZINC001403181565 902641085 /nfs/dbraw/zinc/64/10/85/902641085.db2.gz ACGGWYXYCNSCJR-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001403181565 902641096 /nfs/dbraw/zinc/64/10/96/902641096.db2.gz ACGGWYXYCNSCJR-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001403181565 902641105 /nfs/dbraw/zinc/64/11/05/902641105.db2.gz ACGGWYXYCNSCJR-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001403215281 902650050 /nfs/dbraw/zinc/65/00/50/902650050.db2.gz KLWZSFMXPYCZCE-NSHDSACASA-N 2 1 270.377 -0.737 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001403224572 902654243 /nfs/dbraw/zinc/65/42/43/902654243.db2.gz PAWOXRQYMKODFK-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001403332375 902667846 /nfs/dbraw/zinc/66/78/46/902667846.db2.gz RGEPQAJHAMXMBL-GHMZBOCLSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001403332375 902667853 /nfs/dbraw/zinc/66/78/53/902667853.db2.gz RGEPQAJHAMXMBL-GHMZBOCLSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001403330486 902669717 /nfs/dbraw/zinc/66/97/17/902669717.db2.gz UAZHGDQXCBJVIY-CMPLNLGQSA-N 2 1 284.404 -0.362 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001403385713 902682048 /nfs/dbraw/zinc/68/20/48/902682048.db2.gz QHKVLPXIQCUUOR-ZSOGYDGISA-N 2 1 292.383 -0.132 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001403385713 902682058 /nfs/dbraw/zinc/68/20/58/902682058.db2.gz QHKVLPXIQCUUOR-ZSOGYDGISA-N 2 1 292.383 -0.132 20 0 CBADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001403446903 902692012 /nfs/dbraw/zinc/69/20/12/902692012.db2.gz QDUFBFWVIOLCFZ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CCNC(=O)CC[NH+]1CCOCC1)[NH2+]C[C@H](C)O ZINC001403452279 902692952 /nfs/dbraw/zinc/69/29/52/902692952.db2.gz IRKXBYDRHBSCCY-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403567174 902733271 /nfs/dbraw/zinc/73/32/71/902733271.db2.gz OTTXTDWFMOHSDT-YPMHNXCESA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403567174 902733279 /nfs/dbraw/zinc/73/32/79/902733279.db2.gz OTTXTDWFMOHSDT-YPMHNXCESA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403567165 902734749 /nfs/dbraw/zinc/73/47/49/902734749.db2.gz OTTXTDWFMOHSDT-AAEUAGOBSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403567165 902734756 /nfs/dbraw/zinc/73/47/56/902734756.db2.gz OTTXTDWFMOHSDT-AAEUAGOBSA-N 2 1 296.415 -0.489 20 0 CBADMP COC[C@H](O)C[NH2+][C@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001403588287 902744962 /nfs/dbraw/zinc/74/49/62/902744962.db2.gz VTBQVDXBYHEMDW-DGCLKSJQSA-N 2 1 298.387 -0.365 20 0 CBADMP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001403598196 902747957 /nfs/dbraw/zinc/74/79/57/902747957.db2.gz XDFULYXPRXLNRS-SNVBAGLBSA-N 2 1 283.380 -0.902 20 0 CBADMP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCCNC1=O ZINC001403738128 902828295 /nfs/dbraw/zinc/82/82/95/902828295.db2.gz TWRIAEKVLQHGFC-GFCCVEGCSA-N 2 1 294.399 -0.591 20 0 CBADMP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCCNC1=O ZINC001403738128 902828305 /nfs/dbraw/zinc/82/83/05/902828305.db2.gz TWRIAEKVLQHGFC-GFCCVEGCSA-N 2 1 294.399 -0.591 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001403751940 902837134 /nfs/dbraw/zinc/83/71/34/902837134.db2.gz NNBQQKMOHHFAIR-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CN1CC[C@H]([N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001403767515 902843753 /nfs/dbraw/zinc/84/37/53/902843753.db2.gz HRJPNDPUATVTEL-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001403767515 902843766 /nfs/dbraw/zinc/84/37/66/902843766.db2.gz HRJPNDPUATVTEL-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CN1CC[C@H]([NH+](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001403767515 902843778 /nfs/dbraw/zinc/84/37/78/902843778.db2.gz HRJPNDPUATVTEL-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CN1CC[C@H]([NH+](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001403767515 902843792 /nfs/dbraw/zinc/84/37/92/902843792.db2.gz HRJPNDPUATVTEL-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](CC)[C@@H](C)C(=O)NC)[NH+](C)C ZINC001403869166 902884218 /nfs/dbraw/zinc/88/42/18/902884218.db2.gz QMIAREKQALCPIE-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](CC)[C@@H](C)C(=O)NC)[NH+](C)C ZINC001403869166 902884237 /nfs/dbraw/zinc/88/42/37/902884237.db2.gz QMIAREKQALCPIE-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC2CC2)C1 ZINC001403881320 902888238 /nfs/dbraw/zinc/88/82/38/902888238.db2.gz OOCHTAUMTPIVIV-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC2CC2)C1 ZINC001403881320 902888251 /nfs/dbraw/zinc/88/82/51/902888251.db2.gz OOCHTAUMTPIVIV-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001403881323 902888362 /nfs/dbraw/zinc/88/83/62/902888362.db2.gz OOCHTAUMTPIVIV-UONOGXRCSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001403881323 902888377 /nfs/dbraw/zinc/88/83/77/902888377.db2.gz OOCHTAUMTPIVIV-UONOGXRCSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+](CCNC(=O)CC[N@H+](C)CC)[C@@H]1CCN(C)C1=O ZINC001403927170 902909126 /nfs/dbraw/zinc/90/91/26/902909126.db2.gz NGRIFAQQPLUKCB-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](CC)[C@@H]1CCN(C)C1=O ZINC001403927170 902909137 /nfs/dbraw/zinc/90/91/37/902909137.db2.gz NGRIFAQQPLUKCB-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](CC)[C@@H]1CCN(C)C1=O ZINC001403927170 902909144 /nfs/dbraw/zinc/90/91/44/902909144.db2.gz NGRIFAQQPLUKCB-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)Cc1[nH]cnc1C ZINC001403939185 902910593 /nfs/dbraw/zinc/91/05/93/902910593.db2.gz IGYUZJYCMOLWFY-LBPRGKRZSA-N 2 1 295.387 -0.037 20 0 CBADMP CC[C@@H](C(N)=O)N(CC)CCNC(=O)Cc1[nH]cnc1C ZINC001403939185 902910604 /nfs/dbraw/zinc/91/06/04/902910604.db2.gz IGYUZJYCMOLWFY-LBPRGKRZSA-N 2 1 295.387 -0.037 20 0 CBADMP CCN1CCO[C@H](C(=O)NCC[N@@H+](CC)C[C@@H](C)O)C1 ZINC001403949906 902913317 /nfs/dbraw/zinc/91/33/17/902913317.db2.gz OMBYTDPTIFUDDQ-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)C[C@@H](C)O ZINC001403949906 902913332 /nfs/dbraw/zinc/91/33/32/902913332.db2.gz OMBYTDPTIFUDDQ-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)C[C@@H](C)O ZINC001403949906 902913349 /nfs/dbraw/zinc/91/33/49/902913349.db2.gz OMBYTDPTIFUDDQ-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C[C@@H](C)O ZINC001403949906 902913365 /nfs/dbraw/zinc/91/33/65/902913365.db2.gz OMBYTDPTIFUDDQ-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C[C@@H](C)O ZINC001403949906 902913374 /nfs/dbraw/zinc/91/33/74/902913374.db2.gz OMBYTDPTIFUDDQ-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)C(N)=O ZINC001403940641 902914123 /nfs/dbraw/zinc/91/41/23/902914123.db2.gz PUFMXYIGQSOZRI-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)C(N)=O ZINC001403940641 902914127 /nfs/dbraw/zinc/91/41/27/902914127.db2.gz PUFMXYIGQSOZRI-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)C(N)=O ZINC001403940641 902914132 /nfs/dbraw/zinc/91/41/32/902914132.db2.gz PUFMXYIGQSOZRI-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)C(N)=O ZINC001403940641 902914138 /nfs/dbraw/zinc/91/41/38/902914138.db2.gz PUFMXYIGQSOZRI-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)C(N)=O ZINC001403940641 902914140 /nfs/dbraw/zinc/91/41/40/902914140.db2.gz PUFMXYIGQSOZRI-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCN1[C@@H]1CCNC1=O ZINC001404020398 902925216 /nfs/dbraw/zinc/92/52/16/902925216.db2.gz LHWICDWQMQGQEU-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@@H]1CCNC1=O ZINC001404020398 902925224 /nfs/dbraw/zinc/92/52/24/902925224.db2.gz LHWICDWQMQGQEU-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@@H]1CCNC1=O ZINC001404020398 902925236 /nfs/dbraw/zinc/92/52/36/902925236.db2.gz LHWICDWQMQGQEU-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001404020398 902925251 /nfs/dbraw/zinc/92/52/51/902925251.db2.gz LHWICDWQMQGQEU-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001404014116 902926128 /nfs/dbraw/zinc/92/61/28/902926128.db2.gz GLGPDOLRDSIEIS-UNXYVOJBSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@@H]1CCNC1=O ZINC001404029237 902931971 /nfs/dbraw/zinc/93/19/71/902931971.db2.gz WUMIZWAYWBLWRJ-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@@H]1CCNC1=O ZINC001404029237 902931987 /nfs/dbraw/zinc/93/19/87/902931987.db2.gz WUMIZWAYWBLWRJ-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001404029237 902932000 /nfs/dbraw/zinc/93/20/00/902932000.db2.gz WUMIZWAYWBLWRJ-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001404029237 902932013 /nfs/dbraw/zinc/93/20/13/902932013.db2.gz WUMIZWAYWBLWRJ-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001404317533 902970104 /nfs/dbraw/zinc/97/01/04/902970104.db2.gz IGXYUMGIGKOCDX-UTUOFQBUSA-N 2 1 284.404 -0.362 20 0 CBADMP C[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001404523393 902995623 /nfs/dbraw/zinc/99/56/23/902995623.db2.gz UMQOUDGCLWCYKI-GFCCVEGCSA-N 2 1 296.415 -0.358 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001404603934 903005571 /nfs/dbraw/zinc/00/55/71/903005571.db2.gz USOPSVRGDREKDX-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](O)COC ZINC001404981143 903065011 /nfs/dbraw/zinc/06/50/11/903065011.db2.gz SGXCRQZSBTYKFH-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](O)COC ZINC001404981143 903065022 /nfs/dbraw/zinc/06/50/22/903065022.db2.gz SGXCRQZSBTYKFH-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)COC ZINC001404981143 903065032 /nfs/dbraw/zinc/06/50/32/903065032.db2.gz SGXCRQZSBTYKFH-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)COC ZINC001404981143 903065043 /nfs/dbraw/zinc/06/50/43/903065043.db2.gz SGXCRQZSBTYKFH-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001405040381 903075747 /nfs/dbraw/zinc/07/57/47/903075747.db2.gz PLEMBAQCJVUMKX-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001405040381 903075759 /nfs/dbraw/zinc/07/57/59/903075759.db2.gz PLEMBAQCJVUMKX-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001405040381 903075775 /nfs/dbraw/zinc/07/57/75/903075775.db2.gz PLEMBAQCJVUMKX-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001405040381 903075785 /nfs/dbraw/zinc/07/57/85/903075785.db2.gz PLEMBAQCJVUMKX-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC(N)=O ZINC001405248977 903131227 /nfs/dbraw/zinc/13/12/27/903131227.db2.gz IDLURTHCXVHEBE-SDDRHHMPSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)[NH2+]CC(N)=O ZINC001405362309 903155485 /nfs/dbraw/zinc/15/54/85/903155485.db2.gz GFYXYYXTLRKWGE-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001405598331 903186664 /nfs/dbraw/zinc/18/66/64/903186664.db2.gz SNJJKGVJNIKQDN-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001405717566 903208337 /nfs/dbraw/zinc/20/83/37/903208337.db2.gz LFGBILWEXPMIAZ-NWDGAFQWSA-N 2 1 284.404 -0.443 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCCC2)CC[N@H+]1C ZINC001405766406 903217789 /nfs/dbraw/zinc/21/77/89/903217789.db2.gz YELFPECYFYCJOM-VXGBXAGGSA-N 2 1 296.415 -0.170 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001405836106 903233832 /nfs/dbraw/zinc/23/38/32/903233832.db2.gz MFZMCCCQHCSJAE-KOLCDFICSA-N 2 1 281.360 -0.498 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001405831806 903234083 /nfs/dbraw/zinc/23/40/83/903234083.db2.gz HEGUECGDLTUGJB-CMPLNLGQSA-N 2 1 293.371 -0.483 20 0 CBADMP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001406049941 903258070 /nfs/dbraw/zinc/25/80/70/903258070.db2.gz VBCALXZSPQSXOZ-LLVKDONJSA-N 2 1 297.407 -0.608 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nccs2)C1 ZINC001406301419 903347697 /nfs/dbraw/zinc/34/76/97/903347697.db2.gz ZZYDRCOAYTXOEB-MNOVXSKESA-N 2 1 298.412 -0.339 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nccs2)C1 ZINC001406301419 903347706 /nfs/dbraw/zinc/34/77/06/903347706.db2.gz ZZYDRCOAYTXOEB-MNOVXSKESA-N 2 1 298.412 -0.339 20 0 CBADMP C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)CCC[NH+](C)C ZINC001406384469 903385126 /nfs/dbraw/zinc/38/51/26/903385126.db2.gz FXWDPMGRDNHRLA-GHMZBOCLSA-N 2 1 297.407 -0.293 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001406398414 903391883 /nfs/dbraw/zinc/39/18/83/903391883.db2.gz GKFIHMXPSYQRJC-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406429501 903400741 /nfs/dbraw/zinc/40/07/41/903400741.db2.gz HVXPBSLKSVYJOT-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CCn1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001406565157 903435408 /nfs/dbraw/zinc/43/54/08/903435408.db2.gz UOKOEQFGGGHLSE-NWDGAFQWSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001406565157 903435415 /nfs/dbraw/zinc/43/54/15/903435415.db2.gz UOKOEQFGGGHLSE-NWDGAFQWSA-N 2 1 294.403 -0.156 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001406585490 903440085 /nfs/dbraw/zinc/44/00/85/903440085.db2.gz MVDHFPXVLZGZJH-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001406585490 903440094 /nfs/dbraw/zinc/44/00/94/903440094.db2.gz MVDHFPXVLZGZJH-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001406585490 903440103 /nfs/dbraw/zinc/44/01/03/903440103.db2.gz MVDHFPXVLZGZJH-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001406585490 903440107 /nfs/dbraw/zinc/44/01/07/903440107.db2.gz MVDHFPXVLZGZJH-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001406648831 903456924 /nfs/dbraw/zinc/45/69/24/903456924.db2.gz AZYAPKUAVFHCLN-GFCCVEGCSA-N 2 1 299.419 -0.600 20 0 CBADMP CN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001459269743 914719335 /nfs/dbraw/zinc/71/93/35/914719335.db2.gz MAEGNGLKSYNOJS-GFCCVEGCSA-N 2 1 296.415 -0.441 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CCN1CCCC1=O ZINC001406857902 903492059 /nfs/dbraw/zinc/49/20/59/903492059.db2.gz JXRPETQHDYFLIC-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1CCN1CCCC1=O ZINC001406857902 903492065 /nfs/dbraw/zinc/49/20/65/903492065.db2.gz JXRPETQHDYFLIC-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CCN1CCCC1=O ZINC001406857882 903493316 /nfs/dbraw/zinc/49/33/16/903493316.db2.gz JXRPETQHDYFLIC-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1CCN1CCCC1=O ZINC001406857882 903493322 /nfs/dbraw/zinc/49/33/22/903493322.db2.gz JXRPETQHDYFLIC-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001406852148 903494394 /nfs/dbraw/zinc/49/43/94/903494394.db2.gz GVNJQWOCHZKUCN-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001406872000 903497948 /nfs/dbraw/zinc/49/79/48/903497948.db2.gz GLQGENVJHLPROB-OLZOCXBDSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001407111680 903546191 /nfs/dbraw/zinc/54/61/91/903546191.db2.gz SYUDUSZVPNITCJ-NSHDSACASA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@]1(NC(=O)CCC[NH+]2CCCC2)CC[N@H+](CC(N)=O)C1 ZINC001407208399 903558283 /nfs/dbraw/zinc/55/82/83/903558283.db2.gz LINZMQSRQLYTSB-OAHLLOKOSA-N 2 1 296.415 -0.072 20 0 CBADMP C[C@@]1(NC(=O)CCC[NH+]2CCCC2)CC[N@@H+](CC(N)=O)C1 ZINC001407208399 903558290 /nfs/dbraw/zinc/55/82/90/903558290.db2.gz LINZMQSRQLYTSB-OAHLLOKOSA-N 2 1 296.415 -0.072 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001407347236 903573354 /nfs/dbraw/zinc/57/33/54/903573354.db2.gz MJTSHZVWWCUTQU-IUODEOHRSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H](O)C[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001407347236 903573366 /nfs/dbraw/zinc/57/33/66/903573366.db2.gz MJTSHZVWWCUTQU-IUODEOHRSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H](O)C[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001407347236 903573379 /nfs/dbraw/zinc/57/33/79/903573379.db2.gz MJTSHZVWWCUTQU-IUODEOHRSA-N 2 1 299.415 -0.596 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001407365103 903581072 /nfs/dbraw/zinc/58/10/72/903581072.db2.gz NTVHUJJMCKVALU-ZDUSSCGKSA-N 2 1 273.377 -0.863 20 0 CBADMP CO[C@@H](C)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001407378661 903587684 /nfs/dbraw/zinc/58/76/84/903587684.db2.gz DLWHLSILLBJXFN-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCCF)C1 ZINC001407387566 903591609 /nfs/dbraw/zinc/59/16/09/903591609.db2.gz UUHIBLYMONARBO-OCCSQVGLSA-N 2 1 287.379 -0.007 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCCF)C1 ZINC001407387566 903591625 /nfs/dbraw/zinc/59/16/25/903591625.db2.gz UUHIBLYMONARBO-OCCSQVGLSA-N 2 1 287.379 -0.007 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001407387566 903591635 /nfs/dbraw/zinc/59/16/35/903591635.db2.gz UUHIBLYMONARBO-OCCSQVGLSA-N 2 1 287.379 -0.007 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001407791902 903660347 /nfs/dbraw/zinc/66/03/47/903660347.db2.gz JVNULHWIKDLWHD-LLVKDONJSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001407927502 903680185 /nfs/dbraw/zinc/68/01/85/903680185.db2.gz RPYSYRCFKJABDN-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001407927502 903680192 /nfs/dbraw/zinc/68/01/92/903680192.db2.gz RPYSYRCFKJABDN-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N(C)CCC[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001407927502 903680199 /nfs/dbraw/zinc/68/01/99/903680199.db2.gz RPYSYRCFKJABDN-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP O=C(NC1(CO)CC[NH+](CCF)CC1)C12CC[NH+](CC1)C2 ZINC001408276042 903741472 /nfs/dbraw/zinc/74/14/72/903741472.db2.gz CEVNLGLJMZBBTO-UHFFFAOYSA-N 2 1 299.390 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001408278549 903741679 /nfs/dbraw/zinc/74/16/79/903741679.db2.gz IVEHUHGLIGYDDT-UHFFFAOYSA-N 2 1 287.404 -0.736 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001408574065 903791282 /nfs/dbraw/zinc/79/12/82/903791282.db2.gz BZOYJVYYFGKFSG-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001408574065 903791290 /nfs/dbraw/zinc/79/12/90/903791290.db2.gz BZOYJVYYFGKFSG-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001408574065 903791297 /nfs/dbraw/zinc/79/12/97/903791297.db2.gz BZOYJVYYFGKFSG-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC(=O)NC1CC1 ZINC001409503436 903912981 /nfs/dbraw/zinc/91/29/81/903912981.db2.gz ILOZJRZDLLLVPQ-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)CC(=O)NC1CC1 ZINC001409503436 903912993 /nfs/dbraw/zinc/91/29/93/903912993.db2.gz ILOZJRZDLLLVPQ-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)CC(=O)NC1CC1 ZINC001409503436 903913007 /nfs/dbraw/zinc/91/30/07/903913007.db2.gz ILOZJRZDLLLVPQ-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)CC(=O)NC1CC1 ZINC001409503436 903913020 /nfs/dbraw/zinc/91/30/20/903913020.db2.gz ILOZJRZDLLLVPQ-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001409507436 903914263 /nfs/dbraw/zinc/91/42/63/903914263.db2.gz KNCNDMFJIUWRFB-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001409507436 903914283 /nfs/dbraw/zinc/91/42/83/903914283.db2.gz KNCNDMFJIUWRFB-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001409507436 903914295 /nfs/dbraw/zinc/91/42/95/903914295.db2.gz KNCNDMFJIUWRFB-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001409507436 903914312 /nfs/dbraw/zinc/91/43/12/903914312.db2.gz KNCNDMFJIUWRFB-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CCn1cncn1 ZINC001409535809 903921399 /nfs/dbraw/zinc/92/13/99/903921399.db2.gz ZQBGWNUEVLRTQI-CHWSQXEVSA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CCn1cncn1 ZINC001409535809 903921411 /nfs/dbraw/zinc/92/14/11/903921411.db2.gz ZQBGWNUEVLRTQI-CHWSQXEVSA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CCn1cncn1 ZINC001409535809 903921425 /nfs/dbraw/zinc/92/14/25/903921425.db2.gz ZQBGWNUEVLRTQI-CHWSQXEVSA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)[C@H](C)C(N)=O ZINC001409568565 903928540 /nfs/dbraw/zinc/92/85/40/903928540.db2.gz QGZHAZIAODRNIJ-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)[C@H](C)C(N)=O ZINC001409568565 903928558 /nfs/dbraw/zinc/92/85/58/903928558.db2.gz QGZHAZIAODRNIJ-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)[C@H](C)C(N)=O ZINC001409568565 903928573 /nfs/dbraw/zinc/92/85/73/903928573.db2.gz QGZHAZIAODRNIJ-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)[C@H](C)C(N)=O ZINC001409568565 903928587 /nfs/dbraw/zinc/92/85/87/903928587.db2.gz QGZHAZIAODRNIJ-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CCn1cncn1 ZINC001409618141 903943476 /nfs/dbraw/zinc/94/34/76/903943476.db2.gz BVLNUUOTMVYYTK-GFCCVEGCSA-N 2 1 282.392 -0.334 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410209397 904044931 /nfs/dbraw/zinc/04/49/31/904044931.db2.gz QGNHXDMQIGPXJK-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001410526836 904112637 /nfs/dbraw/zinc/11/26/37/904112637.db2.gz XUOYZWSQLFPNFI-MNOVXSKESA-N 2 1 272.393 -0.363 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001410618082 904143130 /nfs/dbraw/zinc/14/31/30/904143130.db2.gz GVRCFPINJQMITA-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCO)C1 ZINC001410718838 904170751 /nfs/dbraw/zinc/17/07/51/904170751.db2.gz BVCHELNAUKYPRJ-OLZOCXBDSA-N 2 1 287.404 -0.833 20 0 CBADMP CNC(=O)[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001460266980 914787417 /nfs/dbraw/zinc/78/74/17/914787417.db2.gz UQWNPKDFRQZOBX-GFCCVEGCSA-N 2 1 282.388 -0.782 20 0 CBADMP CNC(=O)[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001460266980 914787430 /nfs/dbraw/zinc/78/74/30/914787430.db2.gz UQWNPKDFRQZOBX-GFCCVEGCSA-N 2 1 282.388 -0.782 20 0 CBADMP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccccn1)[NH+](C)C ZINC001410756873 904181207 /nfs/dbraw/zinc/18/12/07/904181207.db2.gz RHYJMVDHQHZWOT-ZIAGYGMSSA-N 2 1 294.399 -0.012 20 0 CBADMP CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001410788806 904186311 /nfs/dbraw/zinc/18/63/11/904186311.db2.gz OHYXIPVWKAZKND-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001410788806 904186321 /nfs/dbraw/zinc/18/63/21/904186321.db2.gz OHYXIPVWKAZKND-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001411137043 904239553 /nfs/dbraw/zinc/23/95/53/904239553.db2.gz JMGSISWCXGQSEA-YPMHNXCESA-N 2 1 296.371 -0.465 20 0 CBADMP CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001411137043 904239566 /nfs/dbraw/zinc/23/95/66/904239566.db2.gz JMGSISWCXGQSEA-YPMHNXCESA-N 2 1 296.371 -0.465 20 0 CBADMP 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 904260864 /nfs/dbraw/zinc/26/08/64/904260864.db2.gz ZTNWYDCZNJWPSL-IJLUTSLNSA-N 2 1 298.431 -0.068 20 0 CBADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC001412835604 904749675 /nfs/dbraw/zinc/74/96/75/904749675.db2.gz FLVABWHUHQMBTM-UKRRQHHQSA-N 2 1 298.431 -0.805 20 0 CBADMP Cc1nc[nH]c1CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001413484391 905099761 /nfs/dbraw/zinc/09/97/61/905099761.db2.gz DFZDSQZOKPZDLH-NWDGAFQWSA-N 2 1 278.356 -0.072 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001417775940 906048773 /nfs/dbraw/zinc/04/87/73/906048773.db2.gz VUGFYXZALYENKP-TXEJJXNPSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001417814932 906057868 /nfs/dbraw/zinc/05/78/68/906057868.db2.gz QCQQKQFYLMMRQB-AGIUHOORSA-N 2 1 296.415 -0.360 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001417801797 906059678 /nfs/dbraw/zinc/05/96/78/906059678.db2.gz MYZXMVODZXHSHG-FVCCEPFGSA-N 2 1 296.415 -0.443 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)[C@@H]1C ZINC001417851861 906066052 /nfs/dbraw/zinc/06/60/52/906066052.db2.gz NISYRIPXZVVBSD-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)[C@@H]1C ZINC001417851861 906066065 /nfs/dbraw/zinc/06/60/65/906066065.db2.gz NISYRIPXZVVBSD-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)[C@@H]1C ZINC001417851861 906066076 /nfs/dbraw/zinc/06/60/76/906066076.db2.gz NISYRIPXZVVBSD-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)[C@@H]1C ZINC001417851861 906066087 /nfs/dbraw/zinc/06/60/87/906066087.db2.gz NISYRIPXZVVBSD-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](O)C[NH2+][C@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001418007078 906134665 /nfs/dbraw/zinc/13/46/65/906134665.db2.gz ZXIOSLHAPFUYNL-TZMCWYRMSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@H](O)C[NH2+][C@@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001418007071 906134808 /nfs/dbraw/zinc/13/48/08/906134808.db2.gz ZXIOSLHAPFUYNL-JSGCOSHPSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H](O)C[NH2+][C@@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001418007074 906135545 /nfs/dbraw/zinc/13/55/45/906135545.db2.gz ZXIOSLHAPFUYNL-OCCSQVGLSA-N 2 1 299.415 -0.426 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001418046025 906143830 /nfs/dbraw/zinc/14/38/30/906143830.db2.gz RBFQWTWXCCDJTA-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001418045025 906145600 /nfs/dbraw/zinc/14/56/00/906145600.db2.gz VDXDTRNKLDLZOE-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1 ZINC001418043562 906145768 /nfs/dbraw/zinc/14/57/68/906145768.db2.gz BGHVNEDIHGHZCO-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001418090371 906166305 /nfs/dbraw/zinc/16/63/05/906166305.db2.gz XHNUSVMJLVKEHP-TUAOUCFPSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001418106128 906172244 /nfs/dbraw/zinc/17/22/44/906172244.db2.gz CAISJCASCPUJDK-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001418208943 906207774 /nfs/dbraw/zinc/20/77/74/906207774.db2.gz DZPSVUHUSRWVBL-WDEREUQCSA-N 2 1 270.377 -0.689 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001418241452 906237322 /nfs/dbraw/zinc/23/73/22/906237322.db2.gz DMMXTXHYIVJELF-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+][C@H]1CCNC1=O ZINC001418272456 906252690 /nfs/dbraw/zinc/25/26/90/906252690.db2.gz CFSJXMZHMHVDPF-NEPJUHHUSA-N 2 1 298.431 -0.053 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CCOC1CCC1 ZINC001418449085 906330168 /nfs/dbraw/zinc/33/01/68/906330168.db2.gz USALQOWBNHBCMP-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CCOC1CCC1 ZINC001418449085 906330179 /nfs/dbraw/zinc/33/01/79/906330179.db2.gz USALQOWBNHBCMP-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)CCOC1CCC1 ZINC001418449085 906330190 /nfs/dbraw/zinc/33/01/90/906330190.db2.gz USALQOWBNHBCMP-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CCOC1CCC1 ZINC001418449085 906330207 /nfs/dbraw/zinc/33/02/07/906330207.db2.gz USALQOWBNHBCMP-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H](C(N)=O)N(C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001418471965 906350776 /nfs/dbraw/zinc/35/07/76/906350776.db2.gz XEJZOYBURRURAH-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001418471965 906350787 /nfs/dbraw/zinc/35/07/87/906350787.db2.gz XEJZOYBURRURAH-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001418471965 906350796 /nfs/dbraw/zinc/35/07/96/906350796.db2.gz XEJZOYBURRURAH-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001418471965 906350807 /nfs/dbraw/zinc/35/08/07/906350807.db2.gz XEJZOYBURRURAH-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001418471965 906350817 /nfs/dbraw/zinc/35/08/17/906350817.db2.gz XEJZOYBURRURAH-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)CCN1CCNC1=O ZINC001418529087 906391188 /nfs/dbraw/zinc/39/11/88/906391188.db2.gz YHVXAFXGRDUDED-UHFFFAOYSA-N 2 1 299.419 -0.600 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)CCN1CCNC1=O ZINC001418529087 906391203 /nfs/dbraw/zinc/39/12/03/906391203.db2.gz YHVXAFXGRDUDED-UHFFFAOYSA-N 2 1 299.419 -0.600 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)CCN1CCNC1=O ZINC001418529087 906391215 /nfs/dbraw/zinc/39/12/15/906391215.db2.gz YHVXAFXGRDUDED-UHFFFAOYSA-N 2 1 299.419 -0.600 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@@H](O)COC ZINC001418538482 906401030 /nfs/dbraw/zinc/40/10/30/906401030.db2.gz DPXURAFTLZUJQH-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C[C@@H](O)COC ZINC001418538482 906401038 /nfs/dbraw/zinc/40/10/38/906401038.db2.gz DPXURAFTLZUJQH-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C[C@@H](O)COC ZINC001418538482 906401044 /nfs/dbraw/zinc/40/10/44/906401044.db2.gz DPXURAFTLZUJQH-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CCC[N@H+]1CCO ZINC001418619763 906427767 /nfs/dbraw/zinc/42/77/67/906427767.db2.gz FERHPGJZNZOJHF-CYBMUJFWSA-N 2 1 285.388 -0.718 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CCC[N@@H+]1CCO ZINC001418619763 906427774 /nfs/dbraw/zinc/42/77/74/906427774.db2.gz FERHPGJZNZOJHF-CYBMUJFWSA-N 2 1 285.388 -0.718 20 0 CBADMP CC(C)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418677432 906446069 /nfs/dbraw/zinc/44/60/69/906446069.db2.gz VNXGBSODPYPXKO-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001418681807 906446509 /nfs/dbraw/zinc/44/65/09/906446509.db2.gz GZYZHTDQPLUXKB-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001418681807 906446513 /nfs/dbraw/zinc/44/65/13/906446513.db2.gz GZYZHTDQPLUXKB-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001418681807 906446518 /nfs/dbraw/zinc/44/65/18/906446518.db2.gz GZYZHTDQPLUXKB-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)NC1CC1 ZINC001418804768 906480671 /nfs/dbraw/zinc/48/06/71/906480671.db2.gz FKQDLCKBSCEQJB-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)NC1CC1 ZINC001418804768 906480676 /nfs/dbraw/zinc/48/06/76/906480676.db2.gz FKQDLCKBSCEQJB-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CN(CCN1CC[NH+](CCO)CC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001418916630 906513872 /nfs/dbraw/zinc/51/38/72/906513872.db2.gz LQNOIENLAIGHES-CQSZACIVSA-N 2 1 298.431 -0.851 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419030187 906570899 /nfs/dbraw/zinc/57/08/99/906570899.db2.gz VYBLPUOJAUYMRO-GFCCVEGCSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001419062397 906583383 /nfs/dbraw/zinc/58/33/83/906583383.db2.gz GUWXGNXPPHKEIW-TUAOUCFPSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001419062397 906583394 /nfs/dbraw/zinc/58/33/94/906583394.db2.gz GUWXGNXPPHKEIW-TUAOUCFPSA-N 2 1 284.404 -0.219 20 0 CBADMP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001419083775 906593602 /nfs/dbraw/zinc/59/36/02/906593602.db2.gz SOYBPJWAMFJNGP-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001419083775 906593610 /nfs/dbraw/zinc/59/36/10/906593610.db2.gz SOYBPJWAMFJNGP-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001419092214 906593778 /nfs/dbraw/zinc/59/37/78/906593778.db2.gz VRGTVYPDJLPJCS-UHFFFAOYSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001419092214 906593788 /nfs/dbraw/zinc/59/37/88/906593788.db2.gz VRGTVYPDJLPJCS-UHFFFAOYSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001419093416 906598619 /nfs/dbraw/zinc/59/86/19/906598619.db2.gz DMTMZXCVQBURBZ-QWHCGFSZSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001419174660 906624522 /nfs/dbraw/zinc/62/45/22/906624522.db2.gz PEYBIPURHQSMSE-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001419174660 906624534 /nfs/dbraw/zinc/62/45/34/906624534.db2.gz PEYBIPURHQSMSE-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001419174663 906625657 /nfs/dbraw/zinc/62/56/57/906625657.db2.gz PEYBIPURHQSMSE-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001419174663 906625669 /nfs/dbraw/zinc/62/56/69/906625669.db2.gz PEYBIPURHQSMSE-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC001419180183 906628088 /nfs/dbraw/zinc/62/80/88/906628088.db2.gz OLAPDLAKOIPCBN-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC001419180183 906628103 /nfs/dbraw/zinc/62/81/03/906628103.db2.gz OLAPDLAKOIPCBN-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001419180183 906628113 /nfs/dbraw/zinc/62/81/13/906628113.db2.gz OLAPDLAKOIPCBN-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001419180183 906628130 /nfs/dbraw/zinc/62/81/30/906628130.db2.gz OLAPDLAKOIPCBN-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC001419180171 906628370 /nfs/dbraw/zinc/62/83/70/906628370.db2.gz OLAPDLAKOIPCBN-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC001419180171 906628383 /nfs/dbraw/zinc/62/83/83/906628383.db2.gz OLAPDLAKOIPCBN-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001419180171 906628398 /nfs/dbraw/zinc/62/83/98/906628398.db2.gz OLAPDLAKOIPCBN-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001419180171 906628413 /nfs/dbraw/zinc/62/84/13/906628413.db2.gz OLAPDLAKOIPCBN-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC001419180177 906629127 /nfs/dbraw/zinc/62/91/27/906629127.db2.gz OLAPDLAKOIPCBN-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC001419180177 906629135 /nfs/dbraw/zinc/62/91/35/906629135.db2.gz OLAPDLAKOIPCBN-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001419180177 906629144 /nfs/dbraw/zinc/62/91/44/906629144.db2.gz OLAPDLAKOIPCBN-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001419180177 906629151 /nfs/dbraw/zinc/62/91/51/906629151.db2.gz OLAPDLAKOIPCBN-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001419177043 906629653 /nfs/dbraw/zinc/62/96/53/906629653.db2.gz SOYBPJWAMFJNGP-QWHCGFSZSA-N 2 1 296.371 -0.611 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001419177043 906629656 /nfs/dbraw/zinc/62/96/56/906629656.db2.gz SOYBPJWAMFJNGP-QWHCGFSZSA-N 2 1 296.371 -0.611 20 0 CBADMP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001419182900 906632756 /nfs/dbraw/zinc/63/27/56/906632756.db2.gz WMRXBWALIHTWDE-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001419182900 906632763 /nfs/dbraw/zinc/63/27/63/906632763.db2.gz WMRXBWALIHTWDE-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+](CCO)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001419323975 906663585 /nfs/dbraw/zinc/66/35/85/906663585.db2.gz UTRKNOZHIZZJLH-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP C[N@@H+](CCO)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001419323975 906663592 /nfs/dbraw/zinc/66/35/92/906663592.db2.gz UTRKNOZHIZZJLH-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCO)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001419323975 906663599 /nfs/dbraw/zinc/66/35/99/906663599.db2.gz UTRKNOZHIZZJLH-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCO)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001419323975 906663605 /nfs/dbraw/zinc/66/36/05/906663605.db2.gz UTRKNOZHIZZJLH-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001419387426 906673557 /nfs/dbraw/zinc/67/35/57/906673557.db2.gz UBCCBMUEGPVZGZ-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC2(CC[N@@H+](CC(N)=O)C2)CC1 ZINC001419431928 906686536 /nfs/dbraw/zinc/68/65/36/906686536.db2.gz DYIRCMGKSBKMSA-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+][C@@H](C)C(N)=O ZINC001419465071 906694161 /nfs/dbraw/zinc/69/41/61/906694161.db2.gz DDYZTOGIXOMTFM-QWRGUYRKSA-N 2 1 284.404 -0.314 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001419532207 906718990 /nfs/dbraw/zinc/71/89/90/906718990.db2.gz AWHUNINTRGNQGV-NXEZZACHSA-N 2 1 281.360 -0.593 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001419714311 906777789 /nfs/dbraw/zinc/77/77/89/906777789.db2.gz SFTFJXUURYAVHA-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001419717126 906783970 /nfs/dbraw/zinc/78/39/70/906783970.db2.gz VZJSNKNKLZSDRT-PWSUYJOCSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)C[NH+]1CCCC1 ZINC001419741532 906796420 /nfs/dbraw/zinc/79/64/20/906796420.db2.gz DSQDUCPLESQLOR-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)C[NH+]1CCCC1 ZINC001419750849 906800951 /nfs/dbraw/zinc/80/09/51/906800951.db2.gz WLGWLYOYRFSJEH-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001419848594 906830945 /nfs/dbraw/zinc/83/09/45/906830945.db2.gz JQIGSPMCXPRKIY-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001419848575 906833393 /nfs/dbraw/zinc/83/33/93/906833393.db2.gz JQIGSPMCXPRKIY-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+][C@@H](C)C(N)=O ZINC001419857479 906835689 /nfs/dbraw/zinc/83/56/89/906835689.db2.gz YFQGBSAVIMMOSC-MNOVXSKESA-N 2 1 286.420 -0.068 20 0 CBADMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cn(C)nn1 ZINC001419906672 906853009 /nfs/dbraw/zinc/85/30/09/906853009.db2.gz RWNZALYSAMXBFK-LLVKDONJSA-N 2 1 292.387 -0.495 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC ZINC001419928676 906860909 /nfs/dbraw/zinc/86/09/09/906860909.db2.gz AGAXGJBNXYMRFV-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001419943358 906865107 /nfs/dbraw/zinc/86/51/07/906865107.db2.gz YXEBOWAWNWRNFF-NSHDSACASA-N 2 1 272.393 -0.443 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001419955019 906876797 /nfs/dbraw/zinc/87/67/97/906876797.db2.gz ZLDARMLZUSYOOR-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001419955019 906876767 /nfs/dbraw/zinc/87/67/67/906876767.db2.gz ZLDARMLZUSYOOR-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001419955019 906876809 /nfs/dbraw/zinc/87/68/09/906876809.db2.gz ZLDARMLZUSYOOR-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001419955019 906876824 /nfs/dbraw/zinc/87/68/24/906876824.db2.gz ZLDARMLZUSYOOR-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1)C(N)=O ZINC001419976055 906881235 /nfs/dbraw/zinc/88/12/35/906881235.db2.gz SNDLVJQGMIDWND-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001419964752 906881957 /nfs/dbraw/zinc/88/19/57/906881957.db2.gz DEZJJHMTZYIFAE-JHJVBQTASA-N 2 1 298.431 -0.019 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001419964752 906881969 /nfs/dbraw/zinc/88/19/69/906881969.db2.gz DEZJJHMTZYIFAE-JHJVBQTASA-N 2 1 298.431 -0.019 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001419964752 906881976 /nfs/dbraw/zinc/88/19/76/906881976.db2.gz DEZJJHMTZYIFAE-JHJVBQTASA-N 2 1 298.431 -0.019 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001419964752 906881989 /nfs/dbraw/zinc/88/19/89/906881989.db2.gz DEZJJHMTZYIFAE-JHJVBQTASA-N 2 1 298.431 -0.019 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001419964757 906882439 /nfs/dbraw/zinc/88/24/39/906882439.db2.gz DEZJJHMTZYIFAE-UPJWGTAASA-N 2 1 298.431 -0.019 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001419964757 906882450 /nfs/dbraw/zinc/88/24/50/906882450.db2.gz DEZJJHMTZYIFAE-UPJWGTAASA-N 2 1 298.431 -0.019 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001419964757 906882462 /nfs/dbraw/zinc/88/24/62/906882462.db2.gz DEZJJHMTZYIFAE-UPJWGTAASA-N 2 1 298.431 -0.019 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001419964757 906882471 /nfs/dbraw/zinc/88/24/71/906882471.db2.gz DEZJJHMTZYIFAE-UPJWGTAASA-N 2 1 298.431 -0.019 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@H](C)C(=O)NC ZINC001420039799 906907804 /nfs/dbraw/zinc/90/78/04/906907804.db2.gz PWOOQUYHLQIYHS-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@H](C)C(=O)NC ZINC001420039799 906907819 /nfs/dbraw/zinc/90/78/19/906907819.db2.gz PWOOQUYHLQIYHS-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC ZINC001420039799 906907839 /nfs/dbraw/zinc/90/78/39/906907839.db2.gz PWOOQUYHLQIYHS-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC ZINC001420039799 906907856 /nfs/dbraw/zinc/90/78/56/906907856.db2.gz PWOOQUYHLQIYHS-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccns2)C1 ZINC001420187520 907000049 /nfs/dbraw/zinc/00/00/49/907000049.db2.gz FQUXOWIMQRZTHO-MNOVXSKESA-N 2 1 298.412 -0.339 20 0 CBADMP Cc1conc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420190277 907001127 /nfs/dbraw/zinc/00/11/27/907001127.db2.gz LQIMGZDFXVKIDD-RYUDHWBXSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1conc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420190277 907001139 /nfs/dbraw/zinc/00/11/39/907001139.db2.gz LQIMGZDFXVKIDD-RYUDHWBXSA-N 2 1 296.371 -0.499 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@H]1CCOC1 ZINC001420195893 907006286 /nfs/dbraw/zinc/00/62/86/907006286.db2.gz MGCAVAHPTNZCCG-OLZOCXBDSA-N 2 1 285.388 -0.599 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@H]1CCOC1 ZINC001420195893 907006309 /nfs/dbraw/zinc/00/63/09/907006309.db2.gz MGCAVAHPTNZCCG-OLZOCXBDSA-N 2 1 285.388 -0.599 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C[C@H]1CCOC1 ZINC001420195893 907006327 /nfs/dbraw/zinc/00/63/27/907006327.db2.gz MGCAVAHPTNZCCG-OLZOCXBDSA-N 2 1 285.388 -0.599 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@H]1CCOC1 ZINC001420195893 907006348 /nfs/dbraw/zinc/00/63/48/907006348.db2.gz MGCAVAHPTNZCCG-OLZOCXBDSA-N 2 1 285.388 -0.599 20 0 CBADMP CO[C@H](C)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001420194244 907008854 /nfs/dbraw/zinc/00/88/54/907008854.db2.gz GSFAUESVMVZIPO-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP CO[C@H](C)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001420194244 907008870 /nfs/dbraw/zinc/00/88/70/907008870.db2.gz GSFAUESVMVZIPO-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP CO[C@H](C)C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001420194244 907008887 /nfs/dbraw/zinc/00/88/87/907008887.db2.gz GSFAUESVMVZIPO-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP CO[C@H](C)C[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001420194244 907008905 /nfs/dbraw/zinc/00/89/05/907008905.db2.gz GSFAUESVMVZIPO-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001420219987 907027593 /nfs/dbraw/zinc/02/75/93/907027593.db2.gz FDBCWHGKVBEMRI-JQWIXIFHSA-N 2 1 295.387 -0.190 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001420219258 907028268 /nfs/dbraw/zinc/02/82/68/907028268.db2.gz VSBOLCNBCVUYGV-ZIAGYGMSSA-N 2 1 299.415 -0.617 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001420241565 907036770 /nfs/dbraw/zinc/03/67/70/907036770.db2.gz IFQZOLOFRCPNDE-WDEREUQCSA-N 2 1 295.387 -0.190 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)[C@H]1CCC[N@H+]1C ZINC001420245707 907043480 /nfs/dbraw/zinc/04/34/80/907043480.db2.gz YEGDGKMSKMLYIT-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)Cn1cc[nH+]c1C ZINC001420254265 907047317 /nfs/dbraw/zinc/04/73/17/907047317.db2.gz QUPOSQHZANFZHR-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001420321686 907096108 /nfs/dbraw/zinc/09/61/08/907096108.db2.gz OFNWBZAMBSWSIC-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)C2 ZINC001420338935 907107610 /nfs/dbraw/zinc/10/76/10/907107610.db2.gz OPTYIKOCSCIJPL-KOLCDFICSA-N 2 1 293.371 -0.666 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC1CC1 ZINC001420369895 907122937 /nfs/dbraw/zinc/12/29/37/907122937.db2.gz PAKLPZVXXYMYCZ-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC1CC1 ZINC001420369895 907122942 /nfs/dbraw/zinc/12/29/42/907122942.db2.gz PAKLPZVXXYMYCZ-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)NC1CC1 ZINC001420369895 907122951 /nfs/dbraw/zinc/12/29/51/907122951.db2.gz PAKLPZVXXYMYCZ-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)NC1CC1 ZINC001420369895 907122956 /nfs/dbraw/zinc/12/29/56/907122956.db2.gz PAKLPZVXXYMYCZ-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001420365269 907124970 /nfs/dbraw/zinc/12/49/70/907124970.db2.gz JDBIOKJVGFOLOC-JHJVBQTASA-N 2 1 287.404 -0.570 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@H]1CCOC1 ZINC001420378694 907127542 /nfs/dbraw/zinc/12/75/42/907127542.db2.gz GJKVHDJPIMLMSN-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@H]1CCOC1 ZINC001420378694 907127553 /nfs/dbraw/zinc/12/75/53/907127553.db2.gz GJKVHDJPIMLMSN-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C[C@H]1CCOC1 ZINC001420378694 907127567 /nfs/dbraw/zinc/12/75/67/907127567.db2.gz GJKVHDJPIMLMSN-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C[C@H]1CCOC1 ZINC001420378694 907127579 /nfs/dbraw/zinc/12/75/79/907127579.db2.gz GJKVHDJPIMLMSN-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001420433137 907160499 /nfs/dbraw/zinc/16/04/99/907160499.db2.gz CRFPFJIIZZTQNG-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCNC1=O ZINC001420433137 907160508 /nfs/dbraw/zinc/16/05/08/907160508.db2.gz CRFPFJIIZZTQNG-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC001420433137 907160517 /nfs/dbraw/zinc/16/05/17/907160517.db2.gz CRFPFJIIZZTQNG-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001420433140 907161149 /nfs/dbraw/zinc/16/11/49/907161149.db2.gz CRFPFJIIZZTQNG-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCNC1=O ZINC001420433140 907161160 /nfs/dbraw/zinc/16/11/60/907161160.db2.gz CRFPFJIIZZTQNG-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC001420433140 907161168 /nfs/dbraw/zinc/16/11/68/907161168.db2.gz CRFPFJIIZZTQNG-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001420448430 907166697 /nfs/dbraw/zinc/16/66/97/907166697.db2.gz MNKLDRSXOFAMIS-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001420448430 907166704 /nfs/dbraw/zinc/16/67/04/907166704.db2.gz MNKLDRSXOFAMIS-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420448430 907166714 /nfs/dbraw/zinc/16/67/14/907166714.db2.gz MNKLDRSXOFAMIS-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420448430 907166724 /nfs/dbraw/zinc/16/67/24/907166724.db2.gz MNKLDRSXOFAMIS-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001420458086 907170010 /nfs/dbraw/zinc/17/00/10/907170010.db2.gz LWOPLDRVHWUIAU-WCQYABFASA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420509684 907186023 /nfs/dbraw/zinc/18/60/23/907186023.db2.gz FLNDBURUDKBBPC-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001420520901 907194069 /nfs/dbraw/zinc/19/40/69/907194069.db2.gz XCQXLYHNLBOLAA-RYUDHWBXSA-N 2 1 284.404 -0.301 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001420533440 907196742 /nfs/dbraw/zinc/19/67/42/907196742.db2.gz FFLVCJVSEZFFRQ-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420535071 907197319 /nfs/dbraw/zinc/19/73/19/907197319.db2.gz DWUBUDKPXCEWDI-NWDGAFQWSA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001420535071 907197327 /nfs/dbraw/zinc/19/73/27/907197327.db2.gz DWUBUDKPXCEWDI-NWDGAFQWSA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001420535071 907197336 /nfs/dbraw/zinc/19/73/36/907197336.db2.gz DWUBUDKPXCEWDI-NWDGAFQWSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001420543200 907202715 /nfs/dbraw/zinc/20/27/15/907202715.db2.gz XKAYMFGAIDYTKV-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001420537467 907205430 /nfs/dbraw/zinc/20/54/30/907205430.db2.gz NBECXNFZYCJEBL-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001420555148 907207526 /nfs/dbraw/zinc/20/75/26/907207526.db2.gz HAMKWKWIKSMPHY-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001420561661 907212327 /nfs/dbraw/zinc/21/23/27/907212327.db2.gz OFNBEHYZGVZJAE-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001420561661 907212342 /nfs/dbraw/zinc/21/23/42/907212342.db2.gz OFNBEHYZGVZJAE-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001420561661 907212356 /nfs/dbraw/zinc/21/23/56/907212356.db2.gz OFNBEHYZGVZJAE-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP COCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001420562167 907220267 /nfs/dbraw/zinc/22/02/67/907220267.db2.gz PTGXSXVSPRGTGW-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001420562167 907220287 /nfs/dbraw/zinc/22/02/87/907220287.db2.gz PTGXSXVSPRGTGW-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001420562167 907220306 /nfs/dbraw/zinc/22/03/06/907220306.db2.gz PTGXSXVSPRGTGW-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001420562167 907220321 /nfs/dbraw/zinc/22/03/21/907220321.db2.gz PTGXSXVSPRGTGW-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP C[C@H](C[N@@H+](C)CCn1cncn1)NC(=O)CC[NH+](C)C ZINC001420615813 907240912 /nfs/dbraw/zinc/24/09/12/907240912.db2.gz IZFGKWMSMLQWOT-GFCCVEGCSA-N 2 1 282.392 -0.334 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001420887136 907337976 /nfs/dbraw/zinc/33/79/76/907337976.db2.gz LUAJTDSYNIXFRH-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001420887136 907337995 /nfs/dbraw/zinc/33/79/95/907337995.db2.gz LUAJTDSYNIXFRH-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001420887136 907338013 /nfs/dbraw/zinc/33/80/13/907338013.db2.gz LUAJTDSYNIXFRH-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001420947613 907373140 /nfs/dbraw/zinc/37/31/40/907373140.db2.gz PSEHCUXDEBTQFG-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CCO)CCC1 ZINC001502014649 921318985 /nfs/dbraw/zinc/31/89/85/921318985.db2.gz GHKFXNBXNWRFJS-UHFFFAOYSA-N 2 1 257.378 -0.051 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001421117085 907435590 /nfs/dbraw/zinc/43/55/90/907435590.db2.gz OSAQBBTZQYFXEY-NEPJUHHUSA-N 2 1 293.371 -0.354 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001421337178 907499337 /nfs/dbraw/zinc/49/93/37/907499337.db2.gz LFSHYOYTASJLQY-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001421337178 907499347 /nfs/dbraw/zinc/49/93/47/907499347.db2.gz LFSHYOYTASJLQY-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001421337178 907499359 /nfs/dbraw/zinc/49/93/59/907499359.db2.gz LFSHYOYTASJLQY-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001421337178 907499364 /nfs/dbraw/zinc/49/93/64/907499364.db2.gz LFSHYOYTASJLQY-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001421483269 907563076 /nfs/dbraw/zinc/56/30/76/907563076.db2.gz AHJJQHNLRVXVKE-NEPJUHHUSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(=O)NC)C1 ZINC001421531714 907576549 /nfs/dbraw/zinc/57/65/49/907576549.db2.gz XKTYJLOBQWOIJK-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001421551628 907580564 /nfs/dbraw/zinc/58/05/64/907580564.db2.gz VCXZTVQDSHOIJX-PWSUYJOCSA-N 2 1 293.371 -0.497 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001421626451 907595233 /nfs/dbraw/zinc/59/52/33/907595233.db2.gz QVOPIWCADPCGJX-OCCSQVGLSA-N 2 1 287.404 -0.738 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001421626446 907596224 /nfs/dbraw/zinc/59/62/24/907596224.db2.gz QVOPIWCADPCGJX-JSGCOSHPSA-N 2 1 287.404 -0.738 20 0 CBADMP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001421708149 907621052 /nfs/dbraw/zinc/62/10/52/907621052.db2.gz RVGLLLPVGOGVES-JHJVBQTASA-N 2 1 296.415 -0.075 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001421915162 907676744 /nfs/dbraw/zinc/67/67/44/907676744.db2.gz VWICLBLZWACQQH-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001421948285 907687260 /nfs/dbraw/zinc/68/72/60/907687260.db2.gz OSAINKZCQHDIEQ-NSHDSACASA-N 2 1 295.387 -0.106 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001421979945 907694474 /nfs/dbraw/zinc/69/44/74/907694474.db2.gz HUSDLSNKUJAHRM-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421992750 907697917 /nfs/dbraw/zinc/69/79/17/907697917.db2.gz PRUFCXUCQJOOBD-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421989660 907697953 /nfs/dbraw/zinc/69/79/53/907697953.db2.gz MESHZSYHLMAUSJ-WDEREUQCSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421989654 907699800 /nfs/dbraw/zinc/69/98/00/907699800.db2.gz MESHZSYHLMAUSJ-QWRGUYRKSA-N 2 1 270.377 -0.879 20 0 CBADMP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422019754 907701241 /nfs/dbraw/zinc/70/12/41/907701241.db2.gz QRYXWTDIEPSFBU-RYUDHWBXSA-N 2 1 284.404 -0.456 20 0 CBADMP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422019753 907701979 /nfs/dbraw/zinc/70/19/79/907701979.db2.gz QRYXWTDIEPSFBU-NWDGAFQWSA-N 2 1 284.404 -0.456 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]([NH2+][C@@H]1CCNC1=O)C(C)C ZINC001422128097 907720029 /nfs/dbraw/zinc/72/00/29/907720029.db2.gz BQPLCDQUPFHNJK-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001422175901 907735739 /nfs/dbraw/zinc/73/57/39/907735739.db2.gz PVWRTKKADMEPGC-WDEREUQCSA-N 2 1 272.393 -0.409 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001422175901 907735752 /nfs/dbraw/zinc/73/57/52/907735752.db2.gz PVWRTKKADMEPGC-WDEREUQCSA-N 2 1 272.393 -0.409 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@H+](C)[C@@H](CC)C(N)=O)[NH+](C)C ZINC001422174085 907739897 /nfs/dbraw/zinc/73/98/97/907739897.db2.gz JRVXFDYMGQDSKA-NWDGAFQWSA-N 2 1 286.420 -0.019 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H](CC)C(N)=O)[NH+](C)C ZINC001422174085 907739907 /nfs/dbraw/zinc/73/99/07/907739907.db2.gz JRVXFDYMGQDSKA-NWDGAFQWSA-N 2 1 286.420 -0.019 20 0 CBADMP CC[NH+]1CCC(CO)(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001422194111 907742818 /nfs/dbraw/zinc/74/28/18/907742818.db2.gz UHNZNVKOIKWOAO-UHFFFAOYSA-N 2 1 299.415 -0.328 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)C[C@H](C)O)C1 ZINC001422229174 907750989 /nfs/dbraw/zinc/75/09/89/907750989.db2.gz GOHZPLDOYAMOGU-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)C[C@H](C)O)C1 ZINC001422229174 907751005 /nfs/dbraw/zinc/75/10/05/907751005.db2.gz GOHZPLDOYAMOGU-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)CC[N@H+](C)C[C@H](C)O)C1 ZINC001422229174 907751014 /nfs/dbraw/zinc/75/10/14/907751014.db2.gz GOHZPLDOYAMOGU-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)CC[N@@H+](C)C[C@H](C)O)C1 ZINC001422229174 907751025 /nfs/dbraw/zinc/75/10/25/907751025.db2.gz GOHZPLDOYAMOGU-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP CO[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001422334286 907808337 /nfs/dbraw/zinc/80/83/37/907808337.db2.gz RECOTODLAVMXIZ-VXGBXAGGSA-N 2 1 284.360 -0.707 20 0 CBADMP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001422449179 907861294 /nfs/dbraw/zinc/86/12/94/907861294.db2.gz JQLCFNCCTGVAJN-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001422504215 907897193 /nfs/dbraw/zinc/89/71/93/907897193.db2.gz GGAAAMLQIXVMBT-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)CC(=O)N(C)C ZINC001422533865 907908145 /nfs/dbraw/zinc/90/81/45/907908145.db2.gz VYVCOFUZVOHUFF-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)CC(=O)N(C)C ZINC001422533865 907908153 /nfs/dbraw/zinc/90/81/53/907908153.db2.gz VYVCOFUZVOHUFF-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001422534066 907909333 /nfs/dbraw/zinc/90/93/33/907909333.db2.gz CXXYPNJEQKVVQE-OUAUKWLOSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001422536515 907912472 /nfs/dbraw/zinc/91/24/72/907912472.db2.gz UPQLFUJWIWRAQN-NTZNESFSSA-N 2 1 296.415 -0.158 20 0 CBADMP CC[C@H]([NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001422544159 907914503 /nfs/dbraw/zinc/91/45/03/907914503.db2.gz SVTTUJKHYCXGGO-KOLCDFICSA-N 2 1 281.360 -0.450 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC)C1 ZINC001422543892 907915882 /nfs/dbraw/zinc/91/58/82/907915882.db2.gz MDODZLYIABPXAZ-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001422544161 907916237 /nfs/dbraw/zinc/91/62/37/907916237.db2.gz SVTTUJKHYCXGGO-MWLCHTKSSA-N 2 1 281.360 -0.450 20 0 CBADMP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[N@@H+](C)CCO ZINC001422603949 907941773 /nfs/dbraw/zinc/94/17/73/907941773.db2.gz QRAHBHXOSZVZNP-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP CC(C)CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422616479 907945689 /nfs/dbraw/zinc/94/56/89/907945689.db2.gz OVGGQJSAIZZPCN-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H](NC(=O)CCC[NH+](C)C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001422735884 907989287 /nfs/dbraw/zinc/98/92/87/907989287.db2.gz UDZGPBKZAOMXHC-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001422729144 907989419 /nfs/dbraw/zinc/98/94/19/907989419.db2.gz HAUHQBFPWWVWTN-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001422820175 908020981 /nfs/dbraw/zinc/02/09/81/908020981.db2.gz GMCGNOKTNGAFQI-LPWJVIDDSA-N 2 1 296.415 -0.504 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001422889947 908047594 /nfs/dbraw/zinc/04/75/94/908047594.db2.gz KYXUTOSLOJWWES-XDQVBPFNSA-N 2 1 299.415 -0.428 20 0 CBADMP CO[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001422888100 908049044 /nfs/dbraw/zinc/04/90/44/908049044.db2.gz GAXFWTHVZXCILO-XUXIUFHCSA-N 2 1 299.415 -0.164 20 0 CBADMP CO[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001422888100 908049054 /nfs/dbraw/zinc/04/90/54/908049054.db2.gz GAXFWTHVZXCILO-XUXIUFHCSA-N 2 1 299.415 -0.164 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001422909488 908053026 /nfs/dbraw/zinc/05/30/26/908053026.db2.gz GBWQHNISUQHRFW-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001422909488 908053034 /nfs/dbraw/zinc/05/30/34/908053034.db2.gz GBWQHNISUQHRFW-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422909488 908053045 /nfs/dbraw/zinc/05/30/45/908053045.db2.gz GBWQHNISUQHRFW-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422909488 908053052 /nfs/dbraw/zinc/05/30/52/908053052.db2.gz GBWQHNISUQHRFW-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001422913348 908057180 /nfs/dbraw/zinc/05/71/80/908057180.db2.gz BAQGTZFLCBWIFK-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001422913348 908057195 /nfs/dbraw/zinc/05/71/95/908057195.db2.gz BAQGTZFLCBWIFK-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001422913348 908057215 /nfs/dbraw/zinc/05/72/15/908057215.db2.gz BAQGTZFLCBWIFK-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001422913348 908057223 /nfs/dbraw/zinc/05/72/23/908057223.db2.gz BAQGTZFLCBWIFK-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001422931231 908057332 /nfs/dbraw/zinc/05/73/32/908057332.db2.gz UBTBDOYMUFXKFN-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001422931231 908057347 /nfs/dbraw/zinc/05/73/47/908057347.db2.gz UBTBDOYMUFXKFN-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422931231 908057361 /nfs/dbraw/zinc/05/73/61/908057361.db2.gz UBTBDOYMUFXKFN-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422931231 908057375 /nfs/dbraw/zinc/05/73/75/908057375.db2.gz UBTBDOYMUFXKFN-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001422925340 908058547 /nfs/dbraw/zinc/05/85/47/908058547.db2.gz ABUBEXBZLTUZHS-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001422925340 908058560 /nfs/dbraw/zinc/05/85/60/908058560.db2.gz ABUBEXBZLTUZHS-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001422916403 908059946 /nfs/dbraw/zinc/05/99/46/908059946.db2.gz VXQJPXNHEBZPNC-JHJVBQTASA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001422940271 908061062 /nfs/dbraw/zinc/06/10/62/908061062.db2.gz YINVJMOPNYALDG-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001422940271 908061077 /nfs/dbraw/zinc/06/10/77/908061077.db2.gz YINVJMOPNYALDG-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001422986886 908069950 /nfs/dbraw/zinc/06/99/50/908069950.db2.gz MSSXIEJFRFRPMJ-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP Cn1nnnc1C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001423026355 908077343 /nfs/dbraw/zinc/07/73/43/908077343.db2.gz MFTPFARLIVYLBT-NSHDSACASA-N 2 1 295.391 -0.854 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001423039960 908085808 /nfs/dbraw/zinc/08/58/08/908085808.db2.gz GXJWDXCSKRTQHL-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001423095545 908107123 /nfs/dbraw/zinc/10/71/23/908107123.db2.gz UETDRWIPTWBYNQ-VXGBXAGGSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@H+]1CCO ZINC001423095545 908107128 /nfs/dbraw/zinc/10/71/28/908107128.db2.gz UETDRWIPTWBYNQ-VXGBXAGGSA-N 2 1 275.368 -0.151 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001423169435 908126853 /nfs/dbraw/zinc/12/68/53/908126853.db2.gz QJYFZCRECISLGJ-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001423169435 908126863 /nfs/dbraw/zinc/12/68/63/908126863.db2.gz QJYFZCRECISLGJ-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001423188405 908140674 /nfs/dbraw/zinc/14/06/74/908140674.db2.gz HHOMIUBDAFCECQ-OLZOCXBDSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001423188405 908140683 /nfs/dbraw/zinc/14/06/83/908140683.db2.gz HHOMIUBDAFCECQ-OLZOCXBDSA-N 2 1 296.371 -0.356 20 0 CBADMP CCCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001423250576 908176607 /nfs/dbraw/zinc/17/66/07/908176607.db2.gz GKWKIWRTVKCABN-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP Cc1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001423267894 908184860 /nfs/dbraw/zinc/18/48/60/908184860.db2.gz RWGLDSOBHHETGV-WCQYABFASA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001423267894 908184867 /nfs/dbraw/zinc/18/48/67/908184867.db2.gz RWGLDSOBHHETGV-WCQYABFASA-N 2 1 296.371 -0.356 20 0 CBADMP CO[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001423304598 908197890 /nfs/dbraw/zinc/19/78/90/908197890.db2.gz QEDIIPFYPMYPJJ-CMPLNLGQSA-N 2 1 284.360 -0.707 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001423571388 908284937 /nfs/dbraw/zinc/28/49/37/908284937.db2.gz HPJZTOBGWJMSHV-CYBMUJFWSA-N 2 1 270.377 -0.606 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001423571388 908284953 /nfs/dbraw/zinc/28/49/53/908284953.db2.gz HPJZTOBGWJMSHV-CYBMUJFWSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001423569630 908285553 /nfs/dbraw/zinc/28/55/53/908285553.db2.gz OASPXQQBVJUPSI-IUODEOHRSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001423569630 908285566 /nfs/dbraw/zinc/28/55/66/908285566.db2.gz OASPXQQBVJUPSI-IUODEOHRSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001423614782 908296249 /nfs/dbraw/zinc/29/62/49/908296249.db2.gz TUOXCQNJQKEUMT-RYUDHWBXSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001423614776 908296430 /nfs/dbraw/zinc/29/64/30/908296430.db2.gz TUOXCQNJQKEUMT-NWDGAFQWSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001423799982 908337256 /nfs/dbraw/zinc/33/72/56/908337256.db2.gz ZESJIFZHTLRJGI-HNNXBMFYSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001423799982 908337265 /nfs/dbraw/zinc/33/72/65/908337265.db2.gz ZESJIFZHTLRJGI-HNNXBMFYSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001423967939 908377997 /nfs/dbraw/zinc/37/79/97/908377997.db2.gz XRIIKJTZVWLSLE-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001424218051 908427650 /nfs/dbraw/zinc/42/76/50/908427650.db2.gz QJFJXUHMSBMRHB-OLZOCXBDSA-N 2 1 299.415 -0.426 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001424330469 908443944 /nfs/dbraw/zinc/44/39/44/908443944.db2.gz GCZCHMUCTHLQLT-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001424408306 908454409 /nfs/dbraw/zinc/45/44/09/908454409.db2.gz IRGSZQSKGHOMLF-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001424409691 908457334 /nfs/dbraw/zinc/45/73/34/908457334.db2.gz QUSSBOPRPVFDFT-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001424409691 908457341 /nfs/dbraw/zinc/45/73/41/908457341.db2.gz QUSSBOPRPVFDFT-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H]([NH2+]CC1CC(NC(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001424722331 908494007 /nfs/dbraw/zinc/49/40/07/908494007.db2.gz AABFXNVGOCCRHD-UNXYVOJBSA-N 2 1 296.415 -0.171 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001424837883 908514133 /nfs/dbraw/zinc/51/41/33/908514133.db2.gz GNHVPPBXVFAYAB-NXEZZACHSA-N 2 1 281.360 -0.580 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CC(N)=O ZINC001425010562 908551676 /nfs/dbraw/zinc/55/16/76/908551676.db2.gz LUDGGLARMCBTQC-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)CC(N)=O ZINC001425010562 908551684 /nfs/dbraw/zinc/55/16/84/908551684.db2.gz LUDGGLARMCBTQC-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)CC(N)=O ZINC001425010562 908551695 /nfs/dbraw/zinc/55/16/95/908551695.db2.gz LUDGGLARMCBTQC-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)CC(N)=O ZINC001425010562 908551705 /nfs/dbraw/zinc/55/17/05/908551705.db2.gz LUDGGLARMCBTQC-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC(=O)N(C)C ZINC001425009617 908554387 /nfs/dbraw/zinc/55/43/87/908554387.db2.gz KUSVLBDYVYTGOM-LLVKDONJSA-N 2 1 272.393 -0.537 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC(=O)N(C)C ZINC001425009617 908554398 /nfs/dbraw/zinc/55/43/98/908554398.db2.gz KUSVLBDYVYTGOM-LLVKDONJSA-N 2 1 272.393 -0.537 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)NC(=O)CC[NH+](C)C ZINC001425170356 908579210 /nfs/dbraw/zinc/57/92/10/908579210.db2.gz WWAIVSIAOVFNQE-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001425341469 908622753 /nfs/dbraw/zinc/62/27/53/908622753.db2.gz COWSDQASZYLFPK-CNDDSTCGSA-N 2 1 282.388 -0.893 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001425341469 908622761 /nfs/dbraw/zinc/62/27/61/908622761.db2.gz COWSDQASZYLFPK-CNDDSTCGSA-N 2 1 282.388 -0.893 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001425341469 908622765 /nfs/dbraw/zinc/62/27/65/908622765.db2.gz COWSDQASZYLFPK-CNDDSTCGSA-N 2 1 282.388 -0.893 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001505465868 921427768 /nfs/dbraw/zinc/42/77/68/921427768.db2.gz NWYDRRKZORFBRH-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001505465868 921427774 /nfs/dbraw/zinc/42/77/74/921427774.db2.gz NWYDRRKZORFBRH-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001505465868 921427784 /nfs/dbraw/zinc/42/77/84/921427784.db2.gz NWYDRRKZORFBRH-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001505465868 921427796 /nfs/dbraw/zinc/42/77/96/921427796.db2.gz NWYDRRKZORFBRH-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCO)C1 ZINC001505466073 921429451 /nfs/dbraw/zinc/42/94/51/921429451.db2.gz RQXBGJMSZVAKCR-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCO)C1 ZINC001505466073 921429458 /nfs/dbraw/zinc/42/94/58/921429458.db2.gz RQXBGJMSZVAKCR-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CCO)C1 ZINC001505466073 921429465 /nfs/dbraw/zinc/42/94/65/921429465.db2.gz RQXBGJMSZVAKCR-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CCO)C1 ZINC001505466073 921429472 /nfs/dbraw/zinc/42/94/72/921429472.db2.gz RQXBGJMSZVAKCR-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001425681597 908689997 /nfs/dbraw/zinc/68/99/97/908689997.db2.gz NEPSVPJIPCKYAQ-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001425791018 908741659 /nfs/dbraw/zinc/74/16/59/908741659.db2.gz ZDGNMFJHALVXLW-QWHCGFSZSA-N 2 1 296.371 -0.705 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccnc2)C1 ZINC001425844972 908762133 /nfs/dbraw/zinc/76/21/33/908762133.db2.gz VPQJVZMZMHYWFQ-KBPBESRZSA-N 2 1 292.383 -0.400 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]Cc2ncnn2C)CN1C(=O)CC[NH+](C)C ZINC001425914703 908780183 /nfs/dbraw/zinc/78/01/83/908780183.db2.gz WNSMNMCAPZSXJZ-VXGBXAGGSA-N 2 1 294.403 -0.154 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001426167391 908840495 /nfs/dbraw/zinc/84/04/95/908840495.db2.gz QBLHIHBKEAJCCA-LLVKDONJSA-N 2 1 295.387 -0.203 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001428803840 909170922 /nfs/dbraw/zinc/17/09/22/909170922.db2.gz KTEXWHVOVHIMKM-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001430097518 909288797 /nfs/dbraw/zinc/28/87/97/909288797.db2.gz YCPSYRQPCBLKLK-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001430205569 909312496 /nfs/dbraw/zinc/31/24/96/909312496.db2.gz CYRWWTHNUQZRKB-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001430205569 909312513 /nfs/dbraw/zinc/31/25/13/909312513.db2.gz CYRWWTHNUQZRKB-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001430205569 909312524 /nfs/dbraw/zinc/31/25/24/909312524.db2.gz CYRWWTHNUQZRKB-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001505865281 921489789 /nfs/dbraw/zinc/48/97/89/921489789.db2.gz PFFJFPVCMJYKKS-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CCNC(=O)CC[NH+](C)C ZINC001431496525 909484057 /nfs/dbraw/zinc/48/40/57/909484057.db2.gz RRUWPZDIHXBIHU-UHFFFAOYSA-N 2 1 286.420 -0.147 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@@H+](C)CCO ZINC001505920456 921500409 /nfs/dbraw/zinc/50/04/09/921500409.db2.gz NAKHRJYNJICUCS-DGCLKSJQSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CC(N)=O ZINC001505920446 921501526 /nfs/dbraw/zinc/50/15/26/921501526.db2.gz MUWDSLLZBFIWFO-ZYHUDNBSSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@@H+](C)CC(N)=O ZINC001505920446 921501536 /nfs/dbraw/zinc/50/15/36/921501536.db2.gz MUWDSLLZBFIWFO-ZYHUDNBSSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CC(N)=O ZINC001505920443 921502804 /nfs/dbraw/zinc/50/28/04/921502804.db2.gz MUWDSLLZBFIWFO-CMPLNLGQSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@@H+](C)CC(N)=O ZINC001505920443 921502816 /nfs/dbraw/zinc/50/28/16/921502816.db2.gz MUWDSLLZBFIWFO-CMPLNLGQSA-N 2 1 282.388 -0.750 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001505989582 921515225 /nfs/dbraw/zinc/51/52/25/921515225.db2.gz WVJWCOXYLLUBCY-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001505989582 921515239 /nfs/dbraw/zinc/51/52/39/921515239.db2.gz WVJWCOXYLLUBCY-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCO)CC[N@H+]1C ZINC001507498606 921855220 /nfs/dbraw/zinc/85/52/20/921855220.db2.gz AMVNNULFXYXJAM-RWMBFGLXSA-N 2 1 287.404 -0.882 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001433695521 909819352 /nfs/dbraw/zinc/81/93/52/909819352.db2.gz POLAVERKDXZQKC-MGPQQGTHSA-N 2 1 298.431 -0.806 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001433695521 909819368 /nfs/dbraw/zinc/81/93/68/909819368.db2.gz POLAVERKDXZQKC-MGPQQGTHSA-N 2 1 298.431 -0.806 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001433695521 909819389 /nfs/dbraw/zinc/81/93/89/909819389.db2.gz POLAVERKDXZQKC-MGPQQGTHSA-N 2 1 298.431 -0.806 20 0 CBADMP C[NH+]1CCC(O)(CNC(=O)CC[N@H+]2CC[C@@H](F)C2)CC1 ZINC001433731165 909836265 /nfs/dbraw/zinc/83/62/65/909836265.db2.gz HICZJCHYPMAHJF-GFCCVEGCSA-N 2 1 287.379 -0.007 20 0 CBADMP Cn1cc([C@H](CO)[NH2+]CC(=O)NC2CC[NH+](C)CC2)cn1 ZINC001434466110 910205516 /nfs/dbraw/zinc/20/55/16/910205516.db2.gz QORWPDFAYMHDSU-ZDUSSCGKSA-N 2 1 295.387 -0.747 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC001434762367 910321338 /nfs/dbraw/zinc/32/13/38/910321338.db2.gz WKPCYGQCTNBOCB-NSHDSACASA-N 2 1 299.419 -0.554 20 0 CBADMP CN(CC[NH+](C)C)C(=O)NCC[N@H+]1CCCOCC1 ZINC001434805871 910359312 /nfs/dbraw/zinc/35/93/12/910359312.db2.gz AXDKDYZQWNKMNF-UHFFFAOYSA-N 2 1 272.393 -0.088 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001436347486 910432329 /nfs/dbraw/zinc/43/23/29/910432329.db2.gz SDBPEXUVUCAKLA-TXEJJXNPSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1CC(N)=O ZINC001436481403 910449493 /nfs/dbraw/zinc/44/94/93/910449493.db2.gz LEEIAGVGFMGOQQ-UPJWGTAASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@H+]1CC(N)=O ZINC001436481403 910449506 /nfs/dbraw/zinc/44/95/06/910449506.db2.gz LEEIAGVGFMGOQQ-UPJWGTAASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC[NH+]1CC(N)=O ZINC001436481403 910449516 /nfs/dbraw/zinc/44/95/16/910449516.db2.gz LEEIAGVGFMGOQQ-UPJWGTAASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC[NH+]1CC(N)=O ZINC001436481403 910449529 /nfs/dbraw/zinc/44/95/29/910449529.db2.gz LEEIAGVGFMGOQQ-UPJWGTAASA-N 2 1 296.415 -0.075 20 0 CBADMP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001436487060 910453181 /nfs/dbraw/zinc/45/31/81/910453181.db2.gz AWDCYMWCPVJBTK-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001436487060 910453197 /nfs/dbraw/zinc/45/31/97/910453197.db2.gz AWDCYMWCPVJBTK-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCN1CC[NH+](CCO)CC1 ZINC001436721979 910471823 /nfs/dbraw/zinc/47/18/23/910471823.db2.gz YMULQRGXBSZMCG-UHFFFAOYSA-N 2 1 286.420 -0.947 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436729793 910480011 /nfs/dbraw/zinc/48/00/11/910480011.db2.gz FOTVIVMGSGYSEM-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436729793 910480022 /nfs/dbraw/zinc/48/00/22/910480022.db2.gz FOTVIVMGSGYSEM-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001436922737 910509749 /nfs/dbraw/zinc/50/97/49/910509749.db2.gz CYCALIUBOONUKI-XYPYZODXSA-N 2 1 295.391 -0.711 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001436922737 910509758 /nfs/dbraw/zinc/50/97/58/910509758.db2.gz CYCALIUBOONUKI-XYPYZODXSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)N(C)C ZINC001436945948 910513113 /nfs/dbraw/zinc/51/31/13/910513113.db2.gz QZHBFAAIMDNIOB-NDBYEHHHSA-N 2 1 296.415 -0.206 20 0 CBADMP 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 910522179 /nfs/dbraw/zinc/52/21/79/910522179.db2.gz ZHMVXDSUQRGLBT-LPWJVIDDSA-N 2 1 296.415 -0.348 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001437263172 910604054 /nfs/dbraw/zinc/60/40/54/910604054.db2.gz ROMIWKQXJWBJAW-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001437277045 910607541 /nfs/dbraw/zinc/60/75/41/910607541.db2.gz NRONAPNZQCLWPX-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001437277005 910607606 /nfs/dbraw/zinc/60/76/06/910607606.db2.gz NRONAPNZQCLWPX-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001437316524 910612282 /nfs/dbraw/zinc/61/22/82/910612282.db2.gz QJEYESPQUCZGHW-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001437421440 910631343 /nfs/dbraw/zinc/63/13/43/910631343.db2.gz IWQJHUWVQGEHRU-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)N(C)C1CC1 ZINC001437445878 910638838 /nfs/dbraw/zinc/63/88/38/910638838.db2.gz BMFRCIOWLNDTKD-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](C[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1)OC ZINC001437447951 910646179 /nfs/dbraw/zinc/64/61/79/910646179.db2.gz IEJRROJEDURRIJ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[C@H](C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1)OC ZINC001437447951 910646188 /nfs/dbraw/zinc/64/61/88/910646188.db2.gz IEJRROJEDURRIJ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[C@H](C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1)OC ZINC001437447951 910646194 /nfs/dbraw/zinc/64/61/94/910646194.db2.gz IEJRROJEDURRIJ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[C@H](C[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)OC ZINC001437447951 910646201 /nfs/dbraw/zinc/64/62/01/910646201.db2.gz IEJRROJEDURRIJ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)[C@@H]1CCCNC1=O ZINC001437472538 910656715 /nfs/dbraw/zinc/65/67/15/910656715.db2.gz QCQYYHMUEMBGJX-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)[C@@H]1CCCNC1=O ZINC001437472538 910656719 /nfs/dbraw/zinc/65/67/19/910656719.db2.gz QCQYYHMUEMBGJX-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CC(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O)C1CCC1 ZINC001437472538 910656724 /nfs/dbraw/zinc/65/67/24/910656724.db2.gz QCQYYHMUEMBGJX-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CC(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O)C1CCC1 ZINC001437472538 910656729 /nfs/dbraw/zinc/65/67/29/910656729.db2.gz QCQYYHMUEMBGJX-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001437516500 910674152 /nfs/dbraw/zinc/67/41/52/910674152.db2.gz SOCRWEYMHOAWDO-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001437516500 910674157 /nfs/dbraw/zinc/67/41/57/910674157.db2.gz SOCRWEYMHOAWDO-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001437554694 910682987 /nfs/dbraw/zinc/68/29/87/910682987.db2.gz IZRLKSGYEIUCNC-GHMZBOCLSA-N 2 1 272.393 -0.506 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001437554694 910682992 /nfs/dbraw/zinc/68/29/92/910682992.db2.gz IZRLKSGYEIUCNC-GHMZBOCLSA-N 2 1 272.393 -0.506 20 0 CBADMP C[N@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@@H]1CCNC1=O ZINC001437567114 910687811 /nfs/dbraw/zinc/68/78/11/910687811.db2.gz WTFINFKLYVFZAC-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@@H]1CCNC1=O ZINC001437567114 910687820 /nfs/dbraw/zinc/68/78/20/910687820.db2.gz WTFINFKLYVFZAC-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+]2CC(N)=O)C1 ZINC001437687350 910719175 /nfs/dbraw/zinc/71/91/75/910719175.db2.gz PHKSCPVMMQNCMU-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+]2CC(N)=O)C1 ZINC001437687350 910719190 /nfs/dbraw/zinc/71/91/90/910719190.db2.gz PHKSCPVMMQNCMU-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001437687350 910719198 /nfs/dbraw/zinc/71/91/98/910719198.db2.gz PHKSCPVMMQNCMU-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001437687350 910719208 /nfs/dbraw/zinc/71/92/08/910719208.db2.gz PHKSCPVMMQNCMU-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)C1 ZINC001437687352 910723497 /nfs/dbraw/zinc/72/34/97/910723497.db2.gz PHKSCPVMMQNCMU-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)C1 ZINC001437687352 910723508 /nfs/dbraw/zinc/72/35/08/910723508.db2.gz PHKSCPVMMQNCMU-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001437687352 910723520 /nfs/dbraw/zinc/72/35/20/910723520.db2.gz PHKSCPVMMQNCMU-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001437687352 910723533 /nfs/dbraw/zinc/72/35/33/910723533.db2.gz PHKSCPVMMQNCMU-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H]1CC[NH+](CC(N)=O)C1)C1CCC1 ZINC001437717689 910733729 /nfs/dbraw/zinc/73/37/29/910733729.db2.gz SMPFXOICLAKRRL-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+](CC(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1)C1CCC1 ZINC001437717689 910733749 /nfs/dbraw/zinc/73/37/49/910733749.db2.gz SMPFXOICLAKRRL-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+](CC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1)C1CCC1 ZINC001437717689 910733766 /nfs/dbraw/zinc/73/37/66/910733766.db2.gz SMPFXOICLAKRRL-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP CCC[N@H+](CCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001437746597 910735430 /nfs/dbraw/zinc/73/54/30/910735430.db2.gz UUQSRUJMMSDUQL-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CCC[N@@H+](CCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001437746597 910735444 /nfs/dbraw/zinc/73/54/44/910735444.db2.gz UUQSRUJMMSDUQL-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CCC[NH+](CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001437746597 910735460 /nfs/dbraw/zinc/73/54/60/910735460.db2.gz UUQSRUJMMSDUQL-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CCC[NH+](CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001437746597 910735471 /nfs/dbraw/zinc/73/54/71/910735471.db2.gz UUQSRUJMMSDUQL-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001506675654 921601686 /nfs/dbraw/zinc/60/16/86/921601686.db2.gz KQMBKWZQLCEJGW-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001437828868 910757859 /nfs/dbraw/zinc/75/78/59/910757859.db2.gz OCXITXKQPQUBTI-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001437828867 910757977 /nfs/dbraw/zinc/75/79/77/910757977.db2.gz OCXITXKQPQUBTI-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001437932485 910777096 /nfs/dbraw/zinc/77/70/96/910777096.db2.gz MTDHLKBFSDLACI-JSGCOSHPSA-N 2 1 298.431 -0.114 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001437952042 910782917 /nfs/dbraw/zinc/78/29/17/910782917.db2.gz YYWZOIYQJDZDMF-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001437952042 910782933 /nfs/dbraw/zinc/78/29/33/910782933.db2.gz YYWZOIYQJDZDMF-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001437952042 910782947 /nfs/dbraw/zinc/78/29/47/910782947.db2.gz YYWZOIYQJDZDMF-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001437962264 910783543 /nfs/dbraw/zinc/78/35/43/910783543.db2.gz STSNIZHNICOTLC-AWEZNQCLSA-N 2 1 298.431 -0.587 20 0 CBADMP CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001437962264 910783555 /nfs/dbraw/zinc/78/35/55/910783555.db2.gz STSNIZHNICOTLC-AWEZNQCLSA-N 2 1 298.431 -0.587 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001438020129 910790633 /nfs/dbraw/zinc/79/06/33/910790633.db2.gz ABFPJVYRSLXAFD-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001438020129 910790654 /nfs/dbraw/zinc/79/06/54/910790654.db2.gz ABFPJVYRSLXAFD-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP COC[C@H](O)C[NH+]1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001438140860 910833338 /nfs/dbraw/zinc/83/33/38/910833338.db2.gz ABUZWIAJEPGCBG-TZMCWYRMSA-N 2 1 299.415 -0.617 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001438206430 910840715 /nfs/dbraw/zinc/84/07/15/910840715.db2.gz PUMNDZKOPGAEIM-YNEHKIRRSA-N 2 1 298.431 -0.006 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001438206430 910840725 /nfs/dbraw/zinc/84/07/25/910840725.db2.gz PUMNDZKOPGAEIM-YNEHKIRRSA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001438192232 910843622 /nfs/dbraw/zinc/84/36/22/910843622.db2.gz RHKAEJCIQCCKGT-RWMBFGLXSA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001438192232 910843630 /nfs/dbraw/zinc/84/36/30/910843630.db2.gz RHKAEJCIQCCKGT-RWMBFGLXSA-N 2 1 298.431 -0.102 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001438209408 910843931 /nfs/dbraw/zinc/84/39/31/910843931.db2.gz FPBXZMLHWWNAKP-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001438209408 910843945 /nfs/dbraw/zinc/84/39/45/910843945.db2.gz FPBXZMLHWWNAKP-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001438247273 910859440 /nfs/dbraw/zinc/85/94/40/910859440.db2.gz GMGZMRKXOUQLQN-CYBMUJFWSA-N 2 1 296.415 -0.120 20 0 CBADMP CN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001438247273 910859456 /nfs/dbraw/zinc/85/94/56/910859456.db2.gz GMGZMRKXOUQLQN-CYBMUJFWSA-N 2 1 296.415 -0.120 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001438267342 910859891 /nfs/dbraw/zinc/85/98/91/910859891.db2.gz OJKUCTGMJKPFNP-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001438267342 910859909 /nfs/dbraw/zinc/85/99/09/910859909.db2.gz OJKUCTGMJKPFNP-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001438527506 910911506 /nfs/dbraw/zinc/91/15/06/910911506.db2.gz GHMLPCYEZHELQI-RYUDHWBXSA-N 2 1 284.404 -0.584 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cn(C)nn1 ZINC001438548201 910915864 /nfs/dbraw/zinc/91/58/64/910915864.db2.gz PVKAUWTWIVSPLK-VXGBXAGGSA-N 2 1 294.403 -0.391 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[NH+](CCCO)CCO2)C1 ZINC001438588825 910930024 /nfs/dbraw/zinc/93/00/24/910930024.db2.gz KZWLRYIQHPHQER-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[NH+](CCCO)CCO2)C1 ZINC001438588825 910930034 /nfs/dbraw/zinc/93/00/34/910930034.db2.gz KZWLRYIQHPHQER-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)C1 ZINC001438588825 910930042 /nfs/dbraw/zinc/93/00/42/910930042.db2.gz KZWLRYIQHPHQER-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)C1 ZINC001438588825 910930057 /nfs/dbraw/zinc/93/00/57/910930057.db2.gz KZWLRYIQHPHQER-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001439017459 911055457 /nfs/dbraw/zinc/05/54/57/911055457.db2.gz GBRJYNVOXSVMHV-NWDGAFQWSA-N 2 1 289.420 -0.588 20 0 CBADMP CC(C)[NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001439033061 911069872 /nfs/dbraw/zinc/06/98/72/911069872.db2.gz OKLHRANNSKWAON-GFCCVEGCSA-N 2 1 273.377 -0.816 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001439120063 911111134 /nfs/dbraw/zinc/11/11/34/911111134.db2.gz OUOWVWHIOXMHQW-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C1([NH+](C)C)CCC1 ZINC001439117920 911112220 /nfs/dbraw/zinc/11/22/20/911112220.db2.gz CGBXSSNYGWTMBG-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001439138077 911115646 /nfs/dbraw/zinc/11/56/46/911115646.db2.gz BZQMGENUGSHMQY-UTUOFQBUSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001439152328 911120926 /nfs/dbraw/zinc/12/09/26/911120926.db2.gz HWVDFQQKUYJVNP-NEPJUHHUSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001439151338 911120996 /nfs/dbraw/zinc/12/09/96/911120996.db2.gz CXGSEKAWQRPBID-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001439164874 911126307 /nfs/dbraw/zinc/12/63/07/911126307.db2.gz ZFMYPSDGNLPMOD-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001439179888 911130284 /nfs/dbraw/zinc/13/02/84/911130284.db2.gz UBIBVDAKMZBDIQ-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP 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 921637038 /nfs/dbraw/zinc/63/70/38/921637038.db2.gz DZOAOAGCHOGZEC-RNJOBUHISA-N 2 1 296.415 -0.314 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001439286650 911165007 /nfs/dbraw/zinc/16/50/07/911165007.db2.gz WIDKIZOARHBKQE-JTQLQIEISA-N 2 1 283.380 -0.855 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001439286650 911165011 /nfs/dbraw/zinc/16/50/11/911165011.db2.gz WIDKIZOARHBKQE-JTQLQIEISA-N 2 1 283.380 -0.855 20 0 CBADMP CC(C)CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439282895 911166041 /nfs/dbraw/zinc/16/60/41/911166041.db2.gz OVGGQJSAIZZPCN-QWHCGFSZSA-N 2 1 298.431 -0.195 20 0 CBADMP CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001506907249 921640480 /nfs/dbraw/zinc/64/04/80/921640480.db2.gz ZOUQDHYKRAKQPS-ZDEQEGDKSA-N 2 1 296.415 -0.314 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001439364369 911195359 /nfs/dbraw/zinc/19/53/59/911195359.db2.gz NDSYMOYHKGEYGM-NWDGAFQWSA-N 2 1 286.420 -0.149 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001439364369 911195364 /nfs/dbraw/zinc/19/53/64/911195364.db2.gz NDSYMOYHKGEYGM-NWDGAFQWSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001439412857 911203559 /nfs/dbraw/zinc/20/35/59/911203559.db2.gz VQNPYHRZKBHZCK-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001439412857 911203574 /nfs/dbraw/zinc/20/35/74/911203574.db2.gz VQNPYHRZKBHZCK-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439412857 911203590 /nfs/dbraw/zinc/20/35/90/911203590.db2.gz VQNPYHRZKBHZCK-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439412857 911203601 /nfs/dbraw/zinc/20/36/01/911203601.db2.gz VQNPYHRZKBHZCK-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001439627522 911261769 /nfs/dbraw/zinc/26/17/69/911261769.db2.gz JZBCDZRFDAICKM-NSHDSACASA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@@H](O)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001439843735 911301398 /nfs/dbraw/zinc/30/13/98/911301398.db2.gz BPJPXXKHUHKLHC-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001439843735 911301418 /nfs/dbraw/zinc/30/14/18/911301418.db2.gz BPJPXXKHUHKLHC-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](CCn2cncn2)C1 ZINC001439850053 911303101 /nfs/dbraw/zinc/30/31/01/911303101.db2.gz LCYCHDRIFANUHH-CQSZACIVSA-N 2 1 294.403 -0.190 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001439872616 911307428 /nfs/dbraw/zinc/30/74/28/911307428.db2.gz MZTRUICWHDOPTQ-WFASDCNBSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001439872616 911307448 /nfs/dbraw/zinc/30/74/48/911307448.db2.gz MZTRUICWHDOPTQ-WFASDCNBSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001439872616 911307470 /nfs/dbraw/zinc/30/74/70/911307470.db2.gz MZTRUICWHDOPTQ-WFASDCNBSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001439872616 911307491 /nfs/dbraw/zinc/30/74/91/911307491.db2.gz MZTRUICWHDOPTQ-WFASDCNBSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001507567289 921867862 /nfs/dbraw/zinc/86/78/62/921867862.db2.gz MQIRIBFWOQOPFI-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001507567289 921867875 /nfs/dbraw/zinc/86/78/75/921867875.db2.gz MQIRIBFWOQOPFI-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001440152359 911389199 /nfs/dbraw/zinc/38/91/99/911389199.db2.gz TXECTCJQWHFDEB-TXEJJXNPSA-N 2 1 282.388 -0.796 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001440152359 911389218 /nfs/dbraw/zinc/38/92/18/911389218.db2.gz TXECTCJQWHFDEB-TXEJJXNPSA-N 2 1 282.388 -0.796 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001440152359 911389228 /nfs/dbraw/zinc/38/92/28/911389228.db2.gz TXECTCJQWHFDEB-TXEJJXNPSA-N 2 1 282.388 -0.796 20 0 CBADMP CC(C)[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001440199868 911407056 /nfs/dbraw/zinc/40/70/56/911407056.db2.gz MJWRMUXCZMWLLI-LBPRGKRZSA-N 2 1 273.377 -0.864 20 0 CBADMP CC(C)[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001440199868 911407069 /nfs/dbraw/zinc/40/70/69/911407069.db2.gz MJWRMUXCZMWLLI-LBPRGKRZSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001440374928 911440031 /nfs/dbraw/zinc/44/00/31/911440031.db2.gz LBGIJHHLJQGUML-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001440408002 911447382 /nfs/dbraw/zinc/44/73/82/911447382.db2.gz SNIGVGRPDXRRJG-RWMBFGLXSA-N 2 1 296.415 -0.441 20 0 CBADMP COCC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001440701426 911494940 /nfs/dbraw/zinc/49/49/40/911494940.db2.gz BVIJAQHCXBYJNK-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001440722893 911501195 /nfs/dbraw/zinc/50/11/95/911501195.db2.gz QOJVDDQKZZZWDG-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001440722893 911501209 /nfs/dbraw/zinc/50/12/09/911501209.db2.gz QOJVDDQKZZZWDG-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001440722893 911501221 /nfs/dbraw/zinc/50/12/21/911501221.db2.gz QOJVDDQKZZZWDG-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001440722893 911501231 /nfs/dbraw/zinc/50/12/31/911501231.db2.gz QOJVDDQKZZZWDG-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001440863468 911534387 /nfs/dbraw/zinc/53/43/87/911534387.db2.gz WCXGZBFDYWQQKF-MNOVXSKESA-N 2 1 272.393 -0.445 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H]1CCN(C)C1=O ZINC001441003886 911582161 /nfs/dbraw/zinc/58/21/61/911582161.db2.gz SMZZXTDSIXUFJL-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001441003886 911582169 /nfs/dbraw/zinc/58/21/69/911582169.db2.gz SMZZXTDSIXUFJL-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001441003886 911582177 /nfs/dbraw/zinc/58/21/77/911582177.db2.gz SMZZXTDSIXUFJL-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001441248383 911631128 /nfs/dbraw/zinc/63/11/28/911631128.db2.gz AURWNADTJBHWLN-QWHCGFSZSA-N 2 1 296.415 -0.489 20 0 CBADMP Cn1ncc(C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C2CC2)n1 ZINC001441235922 911631317 /nfs/dbraw/zinc/63/13/17/911631317.db2.gz ZKKNJUPRXWYTQV-ZDUSSCGKSA-N 2 1 294.403 -0.249 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001441300154 911640812 /nfs/dbraw/zinc/64/08/12/911640812.db2.gz NPDPEVRQHJDYAI-LLVKDONJSA-N 2 1 270.377 -0.704 20 0 CBADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001441362922 911653484 /nfs/dbraw/zinc/65/34/84/911653484.db2.gz ASAIKMVOWYWEMC-WISYIIOYSA-N 2 1 282.388 -0.704 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507125608 921684031 /nfs/dbraw/zinc/68/40/31/921684031.db2.gz ITAUUEXTWSGQFA-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1nocc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441786390 911803224 /nfs/dbraw/zinc/80/32/24/911803224.db2.gz FFULIUKWGSGIMI-YPMHNXCESA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1nocc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441786390 911803236 /nfs/dbraw/zinc/80/32/36/911803236.db2.gz FFULIUKWGSGIMI-YPMHNXCESA-N 2 1 296.371 -0.499 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]C/C=C/Cl)C1 ZINC001441797648 911813609 /nfs/dbraw/zinc/81/36/09/911813609.db2.gz QNFKNZWLERRRPF-LOMYTOQZSA-N 2 1 275.780 -0.243 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001441836783 911830130 /nfs/dbraw/zinc/83/01/30/911830130.db2.gz CYOPHNMTDVVPEU-JTQLQIEISA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC(N)=O ZINC001441904395 911851054 /nfs/dbraw/zinc/85/10/54/911851054.db2.gz PYOPOUSDZCTWRX-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1CC(N)=O ZINC001441904395 911851065 /nfs/dbraw/zinc/85/10/65/911851065.db2.gz PYOPOUSDZCTWRX-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001441936972 911861007 /nfs/dbraw/zinc/86/10/07/911861007.db2.gz QLNLDLHSQIYBCY-RYUDHWBXSA-N 2 1 296.415 -0.489 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001442004846 911888119 /nfs/dbraw/zinc/88/81/19/911888119.db2.gz DWBURKLLZCHYQW-MNOVXSKESA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001442052735 911911316 /nfs/dbraw/zinc/91/13/16/911911316.db2.gz PQEPVCNMFKQCIF-DGCLKSJQSA-N 2 1 279.388 -0.034 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001442119953 911934402 /nfs/dbraw/zinc/93/44/02/911934402.db2.gz KMDJGSCVJKMQQE-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001442146405 911938041 /nfs/dbraw/zinc/93/80/41/911938041.db2.gz BUYCVWIFOQHODU-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001442174304 911948377 /nfs/dbraw/zinc/94/83/77/911948377.db2.gz KSGRFTYIPJNBDU-WDEREUQCSA-N 2 1 284.404 -0.456 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H](C)[NH2+]CCO)C1 ZINC001442336995 911976113 /nfs/dbraw/zinc/97/61/13/911976113.db2.gz LKZGKGLIAOALLD-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H](C)[NH2+]CCO)C1 ZINC001442336995 911976095 /nfs/dbraw/zinc/97/60/95/911976095.db2.gz LKZGKGLIAOALLD-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CCn1cccn1 ZINC001442371329 911988504 /nfs/dbraw/zinc/98/85/04/911988504.db2.gz FXPFGVPNVZDLSG-CYBMUJFWSA-N 2 1 295.387 -0.738 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CCn1cccn1 ZINC001442371329 911988516 /nfs/dbraw/zinc/98/85/16/911988516.db2.gz FXPFGVPNVZDLSG-CYBMUJFWSA-N 2 1 295.387 -0.738 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)CCn1cccn1 ZINC001442371329 911988535 /nfs/dbraw/zinc/98/85/35/911988535.db2.gz FXPFGVPNVZDLSG-CYBMUJFWSA-N 2 1 295.387 -0.738 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CCn1cccn1 ZINC001442371329 911988549 /nfs/dbraw/zinc/98/85/49/911988549.db2.gz FXPFGVPNVZDLSG-CYBMUJFWSA-N 2 1 295.387 -0.738 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CCOC ZINC001442645890 912075910 /nfs/dbraw/zinc/07/59/10/912075910.db2.gz LHJDVBCMHACYGB-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CCOC ZINC001442645890 912075927 /nfs/dbraw/zinc/07/59/27/912075927.db2.gz LHJDVBCMHACYGB-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CCOC ZINC001442645890 912075941 /nfs/dbraw/zinc/07/59/41/912075941.db2.gz LHJDVBCMHACYGB-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CCOC ZINC001442645890 912075954 /nfs/dbraw/zinc/07/59/54/912075954.db2.gz LHJDVBCMHACYGB-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001442889030 912122630 /nfs/dbraw/zinc/12/26/30/912122630.db2.gz XRWVKNZKOAIXBJ-NSHDSACASA-N 2 1 270.377 -0.878 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC(=O)NCC)C1 ZINC001442898857 912124445 /nfs/dbraw/zinc/12/44/45/912124445.db2.gz BOSFKNYYEISAPP-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001442898857 912124458 /nfs/dbraw/zinc/12/44/58/912124458.db2.gz BOSFKNYYEISAPP-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001442898857 912124465 /nfs/dbraw/zinc/12/44/65/912124465.db2.gz BOSFKNYYEISAPP-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001442899402 912125466 /nfs/dbraw/zinc/12/54/66/912125466.db2.gz DSERTXWKAMRPLJ-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001442899402 912125489 /nfs/dbraw/zinc/12/54/89/912125489.db2.gz DSERTXWKAMRPLJ-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001442899402 912125496 /nfs/dbraw/zinc/12/54/96/912125496.db2.gz DSERTXWKAMRPLJ-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001442901250 912125679 /nfs/dbraw/zinc/12/56/79/912125679.db2.gz CVVQMEVSWAUYHF-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001442901250 912125683 /nfs/dbraw/zinc/12/56/83/912125683.db2.gz CVVQMEVSWAUYHF-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001442901250 912125687 /nfs/dbraw/zinc/12/56/87/912125687.db2.gz CVVQMEVSWAUYHF-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001443084586 912151486 /nfs/dbraw/zinc/15/14/86/912151486.db2.gz JDXDIGOVKFOJTA-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)c1nnnn1C ZINC001443092701 912151576 /nfs/dbraw/zinc/15/15/76/912151576.db2.gz AMGRWFWIDYEIFZ-LLVKDONJSA-N 2 1 297.407 -0.341 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)c1nnnn1C ZINC001443092701 912151582 /nfs/dbraw/zinc/15/15/82/912151582.db2.gz AMGRWFWIDYEIFZ-LLVKDONJSA-N 2 1 297.407 -0.341 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001443098297 912156878 /nfs/dbraw/zinc/15/68/78/912156878.db2.gz WPHXGISTOXUVMF-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001443116946 912161852 /nfs/dbraw/zinc/16/18/52/912161852.db2.gz KMPIGCXAPGDOOI-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001443107891 912162646 /nfs/dbraw/zinc/16/26/46/912162646.db2.gz ZIMNCNABPGZJQE-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443249502 912173571 /nfs/dbraw/zinc/17/35/71/912173571.db2.gz RKVIHFIGLRAVEQ-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001443314997 912185309 /nfs/dbraw/zinc/18/53/09/912185309.db2.gz AUNFPVBRXNXVTE-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001443348630 912187948 /nfs/dbraw/zinc/18/79/48/912187948.db2.gz YXCLBIMAOLDDDS-QWHCGFSZSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001443348630 912187956 /nfs/dbraw/zinc/18/79/56/912187956.db2.gz YXCLBIMAOLDDDS-QWHCGFSZSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001443348630 912187963 /nfs/dbraw/zinc/18/79/63/912187963.db2.gz YXCLBIMAOLDDDS-QWHCGFSZSA-N 2 1 298.431 -0.019 20 0 CBADMP Cn1cnc(CCNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001470445339 915485421 /nfs/dbraw/zinc/48/54/21/915485421.db2.gz JMXVBKJZWLKKOM-CYBMUJFWSA-N 2 1 281.360 -0.672 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC001472850601 915771151 /nfs/dbraw/zinc/77/11/51/915771151.db2.gz JHHJTPHSRBHJKX-ZETCQYMHSA-N 2 1 267.337 -0.707 20 0 CBADMP Nc1nc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)nc(N)[nH+]1 ZINC001472895998 915779238 /nfs/dbraw/zinc/77/92/38/915779238.db2.gz PXEIRFNXNNICGM-BDAKNGLRSA-N 2 1 279.348 -0.929 20 0 CBADMP CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001507265640 921797436 /nfs/dbraw/zinc/79/74/36/921797436.db2.gz SKQBIJLOABERMH-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001507265640 921797450 /nfs/dbraw/zinc/79/74/50/921797450.db2.gz SKQBIJLOABERMH-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@H]([C@H](C)O)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001473149867 915802349 /nfs/dbraw/zinc/80/23/49/915802349.db2.gz VNQFCWBJDNWLQI-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001473547327 915831535 /nfs/dbraw/zinc/83/15/35/915831535.db2.gz SDSSUUKMYAOOMW-SOUVJXGZSA-N 2 1 283.416 -0.152 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001507298093 921802992 /nfs/dbraw/zinc/80/29/92/921802992.db2.gz PIDPGKPXOXRUIG-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[C@@H](CNS(C)(=O)=O)[NH2+]C1CC[NH+](C)CC1 ZINC001474532463 915895893 /nfs/dbraw/zinc/89/58/93/915895893.db2.gz WBFPHLHZQXMBGO-JTQLQIEISA-N 2 1 263.407 -0.002 20 0 CBADMP CC[N@@H+](C)[C@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC001477868213 916020948 /nfs/dbraw/zinc/02/09/48/916020948.db2.gz HAVBGRCJYHQUOY-UONOGXRCSA-N 2 1 297.447 -0.032 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001479320880 916120099 /nfs/dbraw/zinc/12/00/99/916120099.db2.gz HQJDWVLEDAJRRV-RWMBFGLXSA-N 2 1 296.415 -0.441 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001479414320 916130845 /nfs/dbraw/zinc/13/08/45/916130845.db2.gz JDPDQEAZZYAPKI-HAQNSBGRSA-N 2 1 293.371 -0.578 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC(N)=O ZINC001479729510 916158800 /nfs/dbraw/zinc/15/88/00/916158800.db2.gz YTDSCYLOMMCARS-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1CC(N)=O ZINC001479729510 916158814 /nfs/dbraw/zinc/15/88/14/916158814.db2.gz YTDSCYLOMMCARS-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001479770641 916167229 /nfs/dbraw/zinc/16/72/29/916167229.db2.gz HPTGOKSMGKQLQB-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001479770641 916167243 /nfs/dbraw/zinc/16/72/43/916167243.db2.gz HPTGOKSMGKQLQB-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001479770641 916167256 /nfs/dbraw/zinc/16/72/56/916167256.db2.gz HPTGOKSMGKQLQB-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCO)C1 ZINC001479911933 916209950 /nfs/dbraw/zinc/20/99/50/916209950.db2.gz VCQSNIBTYBIWBD-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001479911933 916209978 /nfs/dbraw/zinc/20/99/78/916209978.db2.gz VCQSNIBTYBIWBD-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001479911933 916209991 /nfs/dbraw/zinc/20/99/91/916209991.db2.gz VCQSNIBTYBIWBD-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP COCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001479949127 916241573 /nfs/dbraw/zinc/24/15/73/916241573.db2.gz GIAGOETYMSCZTH-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP COCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001479949127 916241591 /nfs/dbraw/zinc/24/15/91/916241591.db2.gz GIAGOETYMSCZTH-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP COCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001479949127 916241605 /nfs/dbraw/zinc/24/16/05/916241605.db2.gz GIAGOETYMSCZTH-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP COCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001479949127 916241621 /nfs/dbraw/zinc/24/16/21/916241621.db2.gz GIAGOETYMSCZTH-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001480009679 916255932 /nfs/dbraw/zinc/25/59/32/916255932.db2.gz ZHWOSQLQZVRXLH-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP Cn1nnnc1C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001480044795 916272613 /nfs/dbraw/zinc/27/26/13/916272613.db2.gz RNANULBPBLAMJD-NSHDSACASA-N 2 1 295.391 -0.854 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480132560 916301234 /nfs/dbraw/zinc/30/12/34/916301234.db2.gz YZCQUBLUEUEKRN-AVGNSLFASA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)N(C)C ZINC001480132218 916301382 /nfs/dbraw/zinc/30/13/82/916301382.db2.gz QZHBFAAIMDNIOB-FDYHWXHSSA-N 2 1 296.415 -0.206 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001480168802 916317763 /nfs/dbraw/zinc/31/77/63/916317763.db2.gz YYUOLWNUZHGSPN-DCAQKATOSA-N 2 1 270.377 -0.561 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001480168803 916318213 /nfs/dbraw/zinc/31/82/13/916318213.db2.gz YYUOLWNUZHGSPN-GMTAPVOTSA-N 2 1 270.377 -0.561 20 0 CBADMP CC[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)OC ZINC001480198012 916324849 /nfs/dbraw/zinc/32/48/49/916324849.db2.gz FAHRPPBWGMMLEN-XJFOESAGSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)OC ZINC001480198012 916324860 /nfs/dbraw/zinc/32/48/60/916324860.db2.gz FAHRPPBWGMMLEN-XJFOESAGSA-N 2 1 299.415 -0.021 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001480218122 916332736 /nfs/dbraw/zinc/33/27/36/916332736.db2.gz FFISQKFVUUGFPU-FRRDWIJNSA-N 2 1 285.388 -0.674 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001480219565 916335758 /nfs/dbraw/zinc/33/57/58/916335758.db2.gz BJKAYDMOUDVREI-PHIMTYICSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001480228778 916338391 /nfs/dbraw/zinc/33/83/91/916338391.db2.gz YCYJHERVRZUHNP-UPJWGTAASA-N 2 1 285.388 -0.674 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001480233582 916339588 /nfs/dbraw/zinc/33/95/88/916339588.db2.gz HJRZMOLBDAMEGY-SDDRHHMPSA-N 2 1 257.378 -0.054 20 0 CBADMP 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 916373326 /nfs/dbraw/zinc/37/33/26/916373326.db2.gz LFZXWDKMODXUIR-FHUSYTEZSA-N 2 1 296.415 -0.363 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cnn(C)c1 ZINC001480438187 916405302 /nfs/dbraw/zinc/40/53/02/916405302.db2.gz IMOSBFAUKRWKQI-AAEUAGOBSA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cnn(C)c1 ZINC001480438187 916405309 /nfs/dbraw/zinc/40/53/09/916405309.db2.gz IMOSBFAUKRWKQI-AAEUAGOBSA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001480478478 916432171 /nfs/dbraw/zinc/43/21/71/916432171.db2.gz ZFMBAHVHFIQFPU-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001480554054 916469029 /nfs/dbraw/zinc/46/90/29/916469029.db2.gz HRAOXUUZFNGZPL-WDEREUQCSA-N 2 1 295.387 -0.060 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001480571559 916477705 /nfs/dbraw/zinc/47/77/05/916477705.db2.gz INXUFLMYFLYNLD-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001480566940 916478015 /nfs/dbraw/zinc/47/80/15/916478015.db2.gz XNMLNROQTSCUHP-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001480566939 916479214 /nfs/dbraw/zinc/47/92/14/916479214.db2.gz XNMLNROQTSCUHP-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001480576665 916482152 /nfs/dbraw/zinc/48/21/52/916482152.db2.gz KAPUAKUXFCDRHE-QWRGUYRKSA-N 2 1 270.377 -0.689 20 0 CBADMP CCOCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001480612328 916496636 /nfs/dbraw/zinc/49/66/36/916496636.db2.gz COZCZGHQBCKLIR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001480612328 916496643 /nfs/dbraw/zinc/49/66/43/916496643.db2.gz COZCZGHQBCKLIR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@H]([NH2+]CCOCCO)C1)C1CCC1 ZINC001480615806 916497491 /nfs/dbraw/zinc/49/74/91/916497491.db2.gz CJOKJMMDLZRYQS-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480621967 916499299 /nfs/dbraw/zinc/49/92/99/916499299.db2.gz IRVDIJAPPVEBTI-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCO)C1 ZINC001480638914 916507079 /nfs/dbraw/zinc/50/70/79/916507079.db2.gz XLOKUSFEHNSMCN-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP COCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001480638641 916507461 /nfs/dbraw/zinc/50/74/61/916507461.db2.gz MTRLXMHPTJRKCY-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP COCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001480638641 916507477 /nfs/dbraw/zinc/50/74/77/916507477.db2.gz MTRLXMHPTJRKCY-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]CCO)C2)CC[N@H+]1C ZINC001480646764 916511269 /nfs/dbraw/zinc/51/12/69/916511269.db2.gz UIDWHPWRJMFSAU-FRRDWIJNSA-N 2 1 269.389 -0.243 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC(=O)NC)C1 ZINC001480739620 916526457 /nfs/dbraw/zinc/52/64/57/916526457.db2.gz RPWZCERIQHNNJN-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC(=O)NC)C1 ZINC001480739620 916526472 /nfs/dbraw/zinc/52/64/72/916526472.db2.gz RPWZCERIQHNNJN-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CC(=O)NC)C1 ZINC001480739620 916526485 /nfs/dbraw/zinc/52/64/85/916526485.db2.gz RPWZCERIQHNNJN-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NC)C1 ZINC001480739620 916526495 /nfs/dbraw/zinc/52/64/95/916526495.db2.gz RPWZCERIQHNNJN-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001480770338 916533275 /nfs/dbraw/zinc/53/32/75/916533275.db2.gz BGDFLOXXJZZQCO-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001480808679 916546794 /nfs/dbraw/zinc/54/67/94/916546794.db2.gz OIUROYXRZQDFRH-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001480813487 916547878 /nfs/dbraw/zinc/54/78/78/916547878.db2.gz HKXLWHHTRXIDFD-JTQLQIEISA-N 2 1 258.366 -0.704 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC[C@@H]1CCCO1 ZINC001480851784 916572564 /nfs/dbraw/zinc/57/25/64/916572564.db2.gz GZPBVBHQJSJYMR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC[C@@H]1CCCO1 ZINC001480851784 916572574 /nfs/dbraw/zinc/57/25/74/916572574.db2.gz GZPBVBHQJSJYMR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC[C@@H]1CCCO1 ZINC001480851784 916572591 /nfs/dbraw/zinc/57/25/91/916572591.db2.gz GZPBVBHQJSJYMR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC[C@@H]1CCCO1 ZINC001480851784 916572603 /nfs/dbraw/zinc/57/26/03/916572603.db2.gz GZPBVBHQJSJYMR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+](CCCO)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480934920 916641655 /nfs/dbraw/zinc/64/16/55/916641655.db2.gz IIPJMYXDYFLUGS-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP C[NH+](CCCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480934920 916641666 /nfs/dbraw/zinc/64/16/66/916641666.db2.gz IIPJMYXDYFLUGS-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP C[NH+](CCCO)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480934920 916641677 /nfs/dbraw/zinc/64/16/77/916641677.db2.gz IIPJMYXDYFLUGS-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP C[NH+](C)C1(C(=O)NCC[N@@H+](C)CCCO)CCC1 ZINC001480872538 916591669 /nfs/dbraw/zinc/59/16/69/916591669.db2.gz BPNKMUJXFSHOKV-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480865635 916596510 /nfs/dbraw/zinc/59/65/10/916596510.db2.gz MPOFJOWLRSQUJX-OLZOCXBDSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480865635 916596530 /nfs/dbraw/zinc/59/65/30/916596530.db2.gz MPOFJOWLRSQUJX-OLZOCXBDSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)[C@@H](C)COC)C1 ZINC001480948970 916650014 /nfs/dbraw/zinc/65/00/14/916650014.db2.gz FOLRDJZZRFTSES-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)[C@@H](C)COC)C1 ZINC001480948970 916650017 /nfs/dbraw/zinc/65/00/17/916650017.db2.gz FOLRDJZZRFTSES-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)[C@@H](C)COC)C1 ZINC001480948970 916650025 /nfs/dbraw/zinc/65/00/25/916650025.db2.gz FOLRDJZZRFTSES-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)COC)C1 ZINC001480948970 916650030 /nfs/dbraw/zinc/65/00/30/916650030.db2.gz FOLRDJZZRFTSES-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480946313 916652602 /nfs/dbraw/zinc/65/26/02/916652602.db2.gz MYEACVSTKWANBF-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480946313 916652613 /nfs/dbraw/zinc/65/26/13/916652613.db2.gz MYEACVSTKWANBF-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480946313 916652622 /nfs/dbraw/zinc/65/26/22/916652622.db2.gz MYEACVSTKWANBF-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480946313 916652628 /nfs/dbraw/zinc/65/26/28/916652628.db2.gz MYEACVSTKWANBF-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(=O)NC ZINC001480975222 916667009 /nfs/dbraw/zinc/66/70/09/916667009.db2.gz LSTVEBGRHUEIQU-ZDUSSCGKSA-N 2 1 296.415 -0.488 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(=O)NC ZINC001480975222 916667021 /nfs/dbraw/zinc/66/70/21/916667021.db2.gz LSTVEBGRHUEIQU-ZDUSSCGKSA-N 2 1 296.415 -0.488 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H](C)C(N)=O ZINC001480983331 916667828 /nfs/dbraw/zinc/66/78/28/916667828.db2.gz XFFURKDREYXXTE-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H](C)C(N)=O ZINC001480983331 916667835 /nfs/dbraw/zinc/66/78/35/916667835.db2.gz XFFURKDREYXXTE-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H](C)C(N)=O ZINC001480983331 916667845 /nfs/dbraw/zinc/66/78/45/916667845.db2.gz XFFURKDREYXXTE-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[C@@H](C)C(N)=O ZINC001480983331 916667853 /nfs/dbraw/zinc/66/78/53/916667853.db2.gz XFFURKDREYXXTE-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)[C@H]1CCNC1=O ZINC001481016109 916689173 /nfs/dbraw/zinc/68/91/73/916689173.db2.gz BBAPCYMISFSQGS-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001481055605 916697757 /nfs/dbraw/zinc/69/77/57/916697757.db2.gz JKTYRPAZTYYWRV-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001481055605 916697766 /nfs/dbraw/zinc/69/77/66/916697766.db2.gz JKTYRPAZTYYWRV-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001481228880 916776002 /nfs/dbraw/zinc/77/60/02/916776002.db2.gz KOEZPEGLHRNECM-VXGBXAGGSA-N 2 1 284.404 -0.219 20 0 CBADMP COC[C@@H](C)[NH2+]CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001481292658 916807067 /nfs/dbraw/zinc/80/70/67/916807067.db2.gz RPYUCPALFCVIPI-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001481292058 916810155 /nfs/dbraw/zinc/81/01/55/916810155.db2.gz XOFXARTXKVHVEW-NSHDSACASA-N 2 1 295.387 -0.106 20 0 CBADMP CN(CC[NH2+]Cc1ccnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481314448 916812669 /nfs/dbraw/zinc/81/26/69/916812669.db2.gz GIQLMQRDKAOUND-GFCCVEGCSA-N 2 1 279.388 -0.080 20 0 CBADMP CN(CC[NH2+]Cc1ccnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481314449 916815983 /nfs/dbraw/zinc/81/59/83/916815983.db2.gz GIQLMQRDKAOUND-LBPRGKRZSA-N 2 1 279.388 -0.080 20 0 CBADMP C[N@@H+](CCO)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481478714 916843757 /nfs/dbraw/zinc/84/37/57/916843757.db2.gz AOGSXSROFCDLAK-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481478714 916843766 /nfs/dbraw/zinc/84/37/66/916843766.db2.gz AOGSXSROFCDLAK-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481478714 916843775 /nfs/dbraw/zinc/84/37/75/916843775.db2.gz AOGSXSROFCDLAK-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H](CC)C(N)=O)C1)[NH+](C)C ZINC001481690077 916950745 /nfs/dbraw/zinc/95/07/45/916950745.db2.gz GUWXGNXPPHKEIW-QJPTWQEYSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@H+]([C@H](CC)C(N)=O)C1)[NH+](C)C ZINC001481690077 916950755 /nfs/dbraw/zinc/95/07/55/916950755.db2.gz GUWXGNXPPHKEIW-QJPTWQEYSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001481752063 916975197 /nfs/dbraw/zinc/97/51/97/916975197.db2.gz VCLYXGLHRJUQJF-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001481875689 917013345 /nfs/dbraw/zinc/01/33/45/917013345.db2.gz PBZYHYAAELGYIL-STQMWFEESA-N 2 1 294.403 -0.286 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482063211 917038856 /nfs/dbraw/zinc/03/88/56/917038856.db2.gz ZCOMOKKIYVUKHC-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]CC(=O)N(C)C ZINC001482084040 917045809 /nfs/dbraw/zinc/04/58/09/917045809.db2.gz GOSFNNIHNKSHJX-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ncnn1C ZINC001482168322 917072863 /nfs/dbraw/zinc/07/28/63/917072863.db2.gz MSAIRJKYOKBSIX-NEPJUHHUSA-N 2 1 294.403 -0.391 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001482224468 917092470 /nfs/dbraw/zinc/09/24/70/917092470.db2.gz JYZKLAADJMJFDY-UHFFFAOYSA-N 2 1 293.371 -0.305 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482353708 917133933 /nfs/dbraw/zinc/13/39/33/917133933.db2.gz KMLSGXIVHYFVGV-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CN(CC[N@@H+](C)CCCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001482648955 917196322 /nfs/dbraw/zinc/19/63/22/917196322.db2.gz CJSPBMYFTHJGLS-LBPRGKRZSA-N 2 1 257.378 -0.289 20 0 CBADMP CN(CC[NH+](C)CCCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482648955 917196336 /nfs/dbraw/zinc/19/63/36/917196336.db2.gz CJSPBMYFTHJGLS-LBPRGKRZSA-N 2 1 257.378 -0.289 20 0 CBADMP CN(CC[NH+](C)CCCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482648955 917196347 /nfs/dbraw/zinc/19/63/47/917196347.db2.gz CJSPBMYFTHJGLS-LBPRGKRZSA-N 2 1 257.378 -0.289 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCOCC2)C1 ZINC001482791461 917285935 /nfs/dbraw/zinc/28/59/35/917285935.db2.gz SHUVZOUHWNHZCD-KGLIPLIRSA-N 2 1 299.415 -0.569 20 0 CBADMP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001482841193 917310028 /nfs/dbraw/zinc/31/00/28/917310028.db2.gz CRHDDICJTMRQIK-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001482840654 917310055 /nfs/dbraw/zinc/31/00/55/917310055.db2.gz YFXWPOQAJOTZKW-AAEUAGOBSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H](CC[NH2+]CC(N)=O)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001482875756 917322518 /nfs/dbraw/zinc/32/25/18/917322518.db2.gz ZALKRSBODDUDBQ-LLVKDONJSA-N 2 1 286.420 -0.066 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(N)=O ZINC001482901022 917329396 /nfs/dbraw/zinc/32/93/96/917329396.db2.gz IKIJTILJHAKHSS-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP CCN(CC[NH2+]CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001482944774 917346452 /nfs/dbraw/zinc/34/64/52/917346452.db2.gz OLVGIYFHGWVUOJ-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[C@H]([NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001482966707 917350144 /nfs/dbraw/zinc/35/01/44/917350144.db2.gz HETCYOAMKGFOFX-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H]([NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001482966710 917351874 /nfs/dbraw/zinc/35/18/74/917351874.db2.gz HETCYOAMKGFOFX-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001483013362 917372727 /nfs/dbraw/zinc/37/27/27/917372727.db2.gz ZIVWTZXRGBEWOF-DSYXLKISSA-N 2 1 296.415 -0.133 20 0 CBADMP CNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001483013364 917373840 /nfs/dbraw/zinc/37/38/40/917373840.db2.gz ZIVWTZXRGBEWOF-IHVVCDCBSA-N 2 1 296.415 -0.133 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001483098929 917407963 /nfs/dbraw/zinc/40/79/63/917407963.db2.gz UQRNBYAXMLYCFL-QMAVJUDZSA-N 2 1 282.388 -0.392 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC ZINC001483099330 917408683 /nfs/dbraw/zinc/40/86/83/917408683.db2.gz XLTMHGDLHQXDIS-SZZPACECSA-N 2 1 296.415 -0.131 20 0 CBADMP C[C@H](C[NH2+]CCCF)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483117294 917417126 /nfs/dbraw/zinc/41/71/26/917417126.db2.gz AFUJTARGBMHFAD-MNOVXSKESA-N 2 1 261.341 -0.229 20 0 CBADMP C[C@H](C[NH2+]CCCF)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483117294 917417133 /nfs/dbraw/zinc/41/71/33/917417133.db2.gz AFUJTARGBMHFAD-MNOVXSKESA-N 2 1 261.341 -0.229 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[N@H+](C)C1CCC1 ZINC001483137819 917429120 /nfs/dbraw/zinc/42/91/20/917429120.db2.gz SSESEOJNWRVQFL-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001483137819 917429130 /nfs/dbraw/zinc/42/91/30/917429130.db2.gz SSESEOJNWRVQFL-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+]CCOCCO)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001483141746 917435143 /nfs/dbraw/zinc/43/51/43/917435143.db2.gz XSKIQYHFHZGVJB-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001483149873 917439398 /nfs/dbraw/zinc/43/93/98/917439398.db2.gz KPDKAKKSAMASDW-MWLCHTKSSA-N 2 1 279.344 -0.826 20 0 CBADMP C[C@H](C[NH2+]C[C@H]1CCOC1)NC(=O)CC[NH+]1CCOCC1 ZINC001483176589 917451748 /nfs/dbraw/zinc/45/17/48/917451748.db2.gz PTOHLKYPHBQUQM-ZIAGYGMSSA-N 2 1 299.415 -0.161 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483184329 917457630 /nfs/dbraw/zinc/45/76/30/917457630.db2.gz LOLULSZNYWLWLS-GHMZBOCLSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483184329 917457640 /nfs/dbraw/zinc/45/76/40/917457640.db2.gz LOLULSZNYWLWLS-GHMZBOCLSA-N 2 1 295.391 -0.854 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CNCc1nncn1C ZINC001483296498 917509677 /nfs/dbraw/zinc/50/96/77/917509677.db2.gz ISJZUPTYTSATDK-NSHDSACASA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nncn1C ZINC001483296498 917509687 /nfs/dbraw/zinc/50/96/87/917509687.db2.gz ISJZUPTYTSATDK-NSHDSACASA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@H]1CCN(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001483422203 917559519 /nfs/dbraw/zinc/55/95/19/917559519.db2.gz SHTSHNGUQQISDP-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCC[NH2+]Cc1cnnn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001483455799 917566640 /nfs/dbraw/zinc/56/66/40/917566640.db2.gz DLDIBQNWNSSBBQ-ZDUSSCGKSA-N 2 1 294.403 -0.153 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCCO)C2CC2)C1 ZINC001483604899 917603184 /nfs/dbraw/zinc/60/31/84/917603184.db2.gz AGFKMWHADLMXEW-OLZOCXBDSA-N 2 1 269.389 -0.195 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC3CC3)CC2)C1 ZINC001483724008 917661622 /nfs/dbraw/zinc/66/16/22/917661622.db2.gz HFSXHKBWRZMGOG-GFCCVEGCSA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC3CC3)CC2)C1 ZINC001483724008 917661635 /nfs/dbraw/zinc/66/16/35/917661635.db2.gz HFSXHKBWRZMGOG-GFCCVEGCSA-N 2 1 267.373 -0.035 20 0 CBADMP CCN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001483790243 917681509 /nfs/dbraw/zinc/68/15/09/917681509.db2.gz CVAMHDZASKCMHL-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCO)CCOCC1 ZINC001484177954 917745380 /nfs/dbraw/zinc/74/53/80/917745380.db2.gz AIQLXSYXPFQIJI-ZDUSSCGKSA-N 2 1 299.415 -0.282 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCO)C2)CC[N@H+]1C ZINC001484235031 917778887 /nfs/dbraw/zinc/77/88/87/917778887.db2.gz FGNKRPZSMFFMCI-YDHLFZDLSA-N 2 1 299.415 -0.738 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)CC[NH+]1C ZINC001484235031 917778897 /nfs/dbraw/zinc/77/88/97/917778897.db2.gz FGNKRPZSMFFMCI-YDHLFZDLSA-N 2 1 299.415 -0.738 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001484235031 917778905 /nfs/dbraw/zinc/77/89/05/917778905.db2.gz FGNKRPZSMFFMCI-YDHLFZDLSA-N 2 1 299.415 -0.738 20 0 CBADMP CCC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484239281 917785843 /nfs/dbraw/zinc/78/58/43/917785843.db2.gz VUEGDEDELXQTIS-CYBMUJFWSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+](C)CCC(=O)NCC1(O)C[NH+](CC[C@@H]2CCCO2)C1 ZINC001484293953 917820304 /nfs/dbraw/zinc/82/03/04/917820304.db2.gz UDINHRHAJXWALI-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@]1(CO)CCC[NH+](CCO)C1 ZINC001484446781 917857266 /nfs/dbraw/zinc/85/72/66/917857266.db2.gz DBALPAKUFBXABC-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001484446781 917857283 /nfs/dbraw/zinc/85/72/83/917857283.db2.gz DBALPAKUFBXABC-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001484446781 917857299 /nfs/dbraw/zinc/85/72/99/917857299.db2.gz DBALPAKUFBXABC-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@H](CC[NH2+]CCO)C1 ZINC001484542231 917887252 /nfs/dbraw/zinc/88/72/52/917887252.db2.gz DTAPLRSXPLBVJX-CQSZACIVSA-N 2 1 299.415 -0.471 20 0 CBADMP C[N@@H+](CC(=O)N1CCO[C@H](C[NH2+]CCO)C1)C1CCC1 ZINC001484681783 917922699 /nfs/dbraw/zinc/92/26/99/917922699.db2.gz ZNBMIYSQJGNSBB-CYBMUJFWSA-N 2 1 285.388 -0.720 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001484902003 917963609 /nfs/dbraw/zinc/96/36/09/917963609.db2.gz NACXGQCKWLEJHR-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)[C@H](C)[NH2+]CC(N)=O ZINC001485200231 918025828 /nfs/dbraw/zinc/02/58/28/918025828.db2.gz RQSBGLGXOPONRA-WDEREUQCSA-N 2 1 295.387 -0.060 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)N1CCC1 ZINC001485382025 918097188 /nfs/dbraw/zinc/09/71/88/918097188.db2.gz BQEBZDKKUYALMR-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)N1CCC1 ZINC001485382025 918097204 /nfs/dbraw/zinc/09/72/04/918097204.db2.gz BQEBZDKKUYALMR-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)N1CCC1 ZINC001485382025 918097218 /nfs/dbraw/zinc/09/72/18/918097218.db2.gz BQEBZDKKUYALMR-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)N1CCC1 ZINC001485382025 918097229 /nfs/dbraw/zinc/09/72/29/918097229.db2.gz BQEBZDKKUYALMR-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)CCO ZINC001485376843 918098645 /nfs/dbraw/zinc/09/86/45/918098645.db2.gz KHPMBGNEYBSYLF-NSHDSACASA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)N1CCC1 ZINC001485382029 918101022 /nfs/dbraw/zinc/10/10/22/918101022.db2.gz BQEBZDKKUYALMR-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)N1CCC1 ZINC001485382029 918101029 /nfs/dbraw/zinc/10/10/29/918101029.db2.gz BQEBZDKKUYALMR-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)N1CCC1 ZINC001485382029 918101033 /nfs/dbraw/zinc/10/10/33/918101033.db2.gz BQEBZDKKUYALMR-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)N1CCC1 ZINC001485382029 918101040 /nfs/dbraw/zinc/10/10/40/918101040.db2.gz BQEBZDKKUYALMR-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)[NH+](C)C ZINC001485375929 918101423 /nfs/dbraw/zinc/10/14/23/918101423.db2.gz CQPBNGXQHOIECY-NXEZZACHSA-N 2 1 258.366 -0.752 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001485375929 918101429 /nfs/dbraw/zinc/10/14/29/918101429.db2.gz CQPBNGXQHOIECY-NXEZZACHSA-N 2 1 258.366 -0.752 20 0 CBADMP C[N@@H+](CCO)CCOCCNC(=O)C1CC[NH+](C)CC1 ZINC001485776439 918184859 /nfs/dbraw/zinc/18/48/59/918184859.db2.gz KFEGLJZZHPOHFW-UHFFFAOYSA-N 2 1 287.404 -0.615 20 0 CBADMP CC[NH2+]CCCOCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485793517 918189617 /nfs/dbraw/zinc/18/96/17/918189617.db2.gz VOLZFKCNZFLHOT-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP CC[NH2+]CCCOCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485793517 918189628 /nfs/dbraw/zinc/18/96/28/918189628.db2.gz VOLZFKCNZFLHOT-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001485940979 918236149 /nfs/dbraw/zinc/23/61/49/918236149.db2.gz MDIWOVRGEPDREQ-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCCO)CC[N@H+]1C ZINC001486028239 918319866 /nfs/dbraw/zinc/31/98/66/918319866.db2.gz UGCWNIDKPHCNII-AVGNSLFASA-N 2 1 287.404 -0.834 20 0 CBADMP CC(C)=CC[NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001486045588 918339928 /nfs/dbraw/zinc/33/99/28/918339928.db2.gz WJJDUZGJASSOSJ-CQSZACIVSA-N 2 1 299.415 -0.258 20 0 CBADMP COCC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001486053286 918344191 /nfs/dbraw/zinc/34/41/91/918344191.db2.gz XUURCQGFTDLOKY-NWDGAFQWSA-N 2 1 273.377 -0.959 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CCO)C[C@@H]1C ZINC001486131143 918370787 /nfs/dbraw/zinc/37/07/87/918370787.db2.gz UOSLIBGBTMZZBD-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCO)C[C@@H]1C ZINC001486131144 918371935 /nfs/dbraw/zinc/37/19/35/918371935.db2.gz UOSLIBGBTMZZBD-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001486218943 918383774 /nfs/dbraw/zinc/38/37/74/918383774.db2.gz AUJMJDBSXOLSDF-NWDGAFQWSA-N 2 1 293.371 -0.449 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001486220089 918384697 /nfs/dbraw/zinc/38/46/97/918384697.db2.gz XNQVLNPJGSACRK-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001486286379 918411215 /nfs/dbraw/zinc/41/12/15/918411215.db2.gz VBTXHKYBAQREHC-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CN(C[C@H](O)C[N@H+](C)CCF)C(=O)C[NH+]1CCCC1 ZINC001486355475 918450705 /nfs/dbraw/zinc/45/07/05/918450705.db2.gz IDVPYZMELTYBRS-GFCCVEGCSA-N 2 1 275.368 -0.197 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)C[NH+]1CCCC1 ZINC001486355475 918450716 /nfs/dbraw/zinc/45/07/16/918450716.db2.gz IDVPYZMELTYBRS-GFCCVEGCSA-N 2 1 275.368 -0.197 20 0 CBADMP C[C@H]([NH2+][C@@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001488857917 918776134 /nfs/dbraw/zinc/77/61/34/918776134.db2.gz GKVNFDSWIVJUQP-CYDGBPFRSA-N 2 1 296.415 -0.314 20 0 CBADMP C[N@@H+](CCO)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001490196309 918862377 /nfs/dbraw/zinc/86/23/77/918862377.db2.gz NMMJTUAZDNWTTC-CYBMUJFWSA-N 2 1 269.389 -0.241 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH+](C)CC(=O)N1CCC1 ZINC001490281205 918881356 /nfs/dbraw/zinc/88/13/56/918881356.db2.gz HJIHEGMFCMGLHJ-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCC[N@H+](C)CC(=O)N1CCC1 ZINC001490281205 918881374 /nfs/dbraw/zinc/88/13/74/918881374.db2.gz HJIHEGMFCMGLHJ-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCC[N@@H+](C)CC(=O)N1CCC1 ZINC001490281205 918881395 /nfs/dbraw/zinc/88/13/95/918881395.db2.gz HJIHEGMFCMGLHJ-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH+](C)[C@@H]1CCN(C)C1=O ZINC001490264935 918883604 /nfs/dbraw/zinc/88/36/04/918883604.db2.gz JLOFMJFELUCNNS-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NCCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001490264935 918883619 /nfs/dbraw/zinc/88/36/19/918883619.db2.gz JLOFMJFELUCNNS-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NCCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001490264935 918883633 /nfs/dbraw/zinc/88/36/33/918883633.db2.gz JLOFMJFELUCNNS-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001490270477 918884329 /nfs/dbraw/zinc/88/43/29/918884329.db2.gz PVTZNALHPAQCEJ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001490270477 918884343 /nfs/dbraw/zinc/88/43/43/918884343.db2.gz PVTZNALHPAQCEJ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001490270477 918884357 /nfs/dbraw/zinc/88/43/57/918884357.db2.gz PVTZNALHPAQCEJ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH+](C)[C@H]1CCNC1=O ZINC001490270810 918884930 /nfs/dbraw/zinc/88/49/30/918884930.db2.gz JCUZOLDOAUHAJZ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NCCC[N@H+](C)[C@H]1CCNC1=O ZINC001490270810 918884942 /nfs/dbraw/zinc/88/49/42/918884942.db2.gz JCUZOLDOAUHAJZ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NCCC[N@@H+](C)[C@H]1CCNC1=O ZINC001490270810 918884959 /nfs/dbraw/zinc/88/49/59/918884959.db2.gz JCUZOLDOAUHAJZ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CC(N)=O)C1CC1 ZINC001490383442 918902552 /nfs/dbraw/zinc/90/25/52/918902552.db2.gz PTZWOQAQKMLWNJ-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+](CC(N)=O)C1CC1 ZINC001490383442 918902567 /nfs/dbraw/zinc/90/25/67/918902567.db2.gz PTZWOQAQKMLWNJ-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+](CC(N)=O)C1CC1 ZINC001490383442 918902582 /nfs/dbraw/zinc/90/25/82/918902582.db2.gz PTZWOQAQKMLWNJ-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CCCO)C2CC2)C1 ZINC001490648760 918949708 /nfs/dbraw/zinc/94/97/08/918949708.db2.gz MDOFBDWGFCTFJE-QWHCGFSZSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CCCO)C2CC2)C1 ZINC001490648760 918949719 /nfs/dbraw/zinc/94/97/19/918949719.db2.gz MDOFBDWGFCTFJE-QWHCGFSZSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CCF)C2CC2)C1 ZINC001490649461 918950074 /nfs/dbraw/zinc/95/00/74/918950074.db2.gz SXHSOAXLMVJXDZ-NWDGAFQWSA-N 2 1 273.352 -0.229 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CCF)C2CC2)C1 ZINC001490649461 918950085 /nfs/dbraw/zinc/95/00/85/918950085.db2.gz SXHSOAXLMVJXDZ-NWDGAFQWSA-N 2 1 273.352 -0.229 20 0 CBADMP CC(C)OCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001490820289 918977407 /nfs/dbraw/zinc/97/74/07/918977407.db2.gz ZRKAPDBCHDMKNK-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)OCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001490820289 918977416 /nfs/dbraw/zinc/97/74/16/918977416.db2.gz ZRKAPDBCHDMKNK-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001491025563 919010732 /nfs/dbraw/zinc/01/07/32/919010732.db2.gz AWBFQXGHHOLFDZ-NDBYEHHHSA-N 2 1 296.415 -0.029 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001491318713 919112539 /nfs/dbraw/zinc/11/25/39/919112539.db2.gz WVUNKYCBNSQWPR-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CCC(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001491318713 919112550 /nfs/dbraw/zinc/11/25/50/919112550.db2.gz WVUNKYCBNSQWPR-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CCC(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001491318713 919112557 /nfs/dbraw/zinc/11/25/57/919112557.db2.gz WVUNKYCBNSQWPR-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001491367744 919122547 /nfs/dbraw/zinc/12/25/47/919122547.db2.gz WEQITASNMPYIMQ-UHFFFAOYSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001491530775 919196875 /nfs/dbraw/zinc/19/68/75/919196875.db2.gz YTEKVLQAZMTFFC-LLVKDONJSA-N 2 1 295.387 -0.188 20 0 CBADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cnn(C)n1 ZINC001491565740 919208717 /nfs/dbraw/zinc/20/87/17/919208717.db2.gz QAAFDDMWICWLFR-LLVKDONJSA-N 2 1 294.403 -0.249 20 0 CBADMP CCn1cc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)nn1 ZINC001491569889 919209873 /nfs/dbraw/zinc/20/98/73/919209873.db2.gz VLJGYWKVWNSIMC-NSHDSACASA-N 2 1 282.392 -0.156 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001491611818 919229082 /nfs/dbraw/zinc/22/90/82/919229082.db2.gz QSCSVQCZUAHCLM-NSHDSACASA-N 2 1 295.387 -0.188 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001491684570 919250385 /nfs/dbraw/zinc/25/03/85/919250385.db2.gz WOCUVFKYZPVXLV-VXGBXAGGSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001491752160 919268236 /nfs/dbraw/zinc/26/82/36/919268236.db2.gz QZJIIGRAVXAQQN-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001491813985 919285783 /nfs/dbraw/zinc/28/57/83/919285783.db2.gz FSVWAWFDQVLBFL-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001492058801 919320028 /nfs/dbraw/zinc/32/00/28/919320028.db2.gz TVSPTSWBKHSZJY-KOLCDFICSA-N 2 1 281.360 -0.450 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001492128461 919326445 /nfs/dbraw/zinc/32/64/45/919326445.db2.gz UNAIBTULTCKZKB-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001492177143 919329101 /nfs/dbraw/zinc/32/91/01/919329101.db2.gz DGROQOGDFJGFKV-ZDUSSCGKSA-N 2 1 296.415 -0.072 20 0 CBADMP CN1CCO[C@H](C(=O)NCC[N@@H+](C)C[C@@H]2CCCOC2)C1 ZINC001492220156 919361898 /nfs/dbraw/zinc/36/18/98/919361898.db2.gz DNMQWMAYDZGJGN-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@@H]1CCCOC1 ZINC001492220156 919361911 /nfs/dbraw/zinc/36/19/11/919361911.db2.gz DNMQWMAYDZGJGN-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@@H]1CCCOC1 ZINC001492220156 919361927 /nfs/dbraw/zinc/36/19/27/919361927.db2.gz DNMQWMAYDZGJGN-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C[C@@H]1CCCOC1 ZINC001492220156 919361943 /nfs/dbraw/zinc/36/19/43/919361943.db2.gz DNMQWMAYDZGJGN-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@@H]1CCCOC1 ZINC001492220156 919361959 /nfs/dbraw/zinc/36/19/59/919361959.db2.gz DNMQWMAYDZGJGN-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001492818016 919429630 /nfs/dbraw/zinc/42/96/30/919429630.db2.gz YKGCIZUZYUTWNL-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001492818016 919429641 /nfs/dbraw/zinc/42/96/41/919429641.db2.gz YKGCIZUZYUTWNL-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001492818016 919429647 /nfs/dbraw/zinc/42/96/47/919429647.db2.gz YKGCIZUZYUTWNL-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001492818016 919429659 /nfs/dbraw/zinc/42/96/59/919429659.db2.gz YKGCIZUZYUTWNL-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP Cn1cc(CC[N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)cn1 ZINC001492853133 919436203 /nfs/dbraw/zinc/43/62/03/919436203.db2.gz AJFZETOCBOGHAN-CQSZACIVSA-N 2 1 293.415 -0.038 20 0 CBADMP Cn1cc(CC[NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001492853133 919436212 /nfs/dbraw/zinc/43/62/12/919436212.db2.gz AJFZETOCBOGHAN-CQSZACIVSA-N 2 1 293.415 -0.038 20 0 CBADMP Cn1cc(CC[NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001492853133 919436218 /nfs/dbraw/zinc/43/62/18/919436218.db2.gz AJFZETOCBOGHAN-CQSZACIVSA-N 2 1 293.415 -0.038 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@H](C)C(N)=O ZINC001493023409 919468608 /nfs/dbraw/zinc/46/86/08/919468608.db2.gz WBWYYWCFECQVAI-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@H](C)C(N)=O ZINC001493023409 919468618 /nfs/dbraw/zinc/46/86/18/919468618.db2.gz WBWYYWCFECQVAI-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[C@H](C)C(N)=O ZINC001493023409 919468625 /nfs/dbraw/zinc/46/86/25/919468625.db2.gz WBWYYWCFECQVAI-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[C@H](C)C(N)=O ZINC001493023409 919468634 /nfs/dbraw/zinc/46/86/34/919468634.db2.gz WBWYYWCFECQVAI-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)[C@H](C)C(=O)NC ZINC001493063848 919472458 /nfs/dbraw/zinc/47/24/58/919472458.db2.gz YWPJYBQKBUNVNE-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)[C@H](C)C(=O)NC ZINC001493063848 919472467 /nfs/dbraw/zinc/47/24/67/919472467.db2.gz YWPJYBQKBUNVNE-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)[C@H](C)C(=O)NC ZINC001493063848 919472474 /nfs/dbraw/zinc/47/24/74/919472474.db2.gz YWPJYBQKBUNVNE-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C(=O)NC ZINC001493063848 919472487 /nfs/dbraw/zinc/47/24/87/919472487.db2.gz YWPJYBQKBUNVNE-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493232591 919509654 /nfs/dbraw/zinc/50/96/54/919509654.db2.gz GCISHMXTVOMGEX-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001493262294 919512755 /nfs/dbraw/zinc/51/27/55/919512755.db2.gz FQMUHJRPYKXZRO-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001493406292 919540149 /nfs/dbraw/zinc/54/01/49/919540149.db2.gz BPZFBVGIRIEBAT-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001493406292 919540162 /nfs/dbraw/zinc/54/01/62/919540162.db2.gz BPZFBVGIRIEBAT-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001493407618 919543372 /nfs/dbraw/zinc/54/33/72/919543372.db2.gz PMCRERCYTXGFKH-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001493407618 919543381 /nfs/dbraw/zinc/54/33/81/919543381.db2.gz PMCRERCYTXGFKH-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C[C@H](C)O)C2CC2)C1 ZINC001493448221 919546715 /nfs/dbraw/zinc/54/67/15/919546715.db2.gz FGCISHPWMGYNMX-GXTWGEPZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C[C@H](C)O)C2CC2)C1 ZINC001493448221 919546727 /nfs/dbraw/zinc/54/67/27/919546727.db2.gz FGCISHPWMGYNMX-GXTWGEPZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C[C@H](C)O)C2CC2)C1 ZINC001493448221 919546740 /nfs/dbraw/zinc/54/67/40/919546740.db2.gz FGCISHPWMGYNMX-GXTWGEPZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C[C@H](C)O)C2CC2)C1 ZINC001493448221 919546753 /nfs/dbraw/zinc/54/67/53/919546753.db2.gz FGCISHPWMGYNMX-GXTWGEPZSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)CCC[NH+](C)C)c1nnnn1C ZINC001493674882 919601601 /nfs/dbraw/zinc/60/16/01/919601601.db2.gz GTNSIEVAGBNVQC-LLVKDONJSA-N 2 1 297.407 -0.339 20 0 CBADMP CN(CC[NH2+]Cc1nccn1C)C(=O)CC[NH+](C)C ZINC001493681300 919603073 /nfs/dbraw/zinc/60/30/73/919603073.db2.gz HZMKBIRPVIBCCB-UHFFFAOYSA-N 2 1 267.377 -0.080 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)CC[NH2+]CC(N)=O)C2 ZINC001493695923 919607099 /nfs/dbraw/zinc/60/70/99/919607099.db2.gz NCPKKWJSIYHKDL-LLVKDONJSA-N 2 1 293.371 -0.713 20 0 CBADMP CN(CC[NH2+]CCO)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001493696734 919609107 /nfs/dbraw/zinc/60/91/07/919609107.db2.gz ZVAGVOYBRXZXSL-UHFFFAOYSA-N 2 1 296.371 -0.076 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CCNCc1ncnn1C ZINC001493754018 919615540 /nfs/dbraw/zinc/61/55/40/919615540.db2.gz XRNBGPAJWKPULM-UHFFFAOYSA-N 2 1 282.392 -0.295 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ncnn1C ZINC001493754018 919615545 /nfs/dbraw/zinc/61/55/45/919615545.db2.gz XRNBGPAJWKPULM-UHFFFAOYSA-N 2 1 282.392 -0.295 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ncnn1C ZINC001493754018 919615556 /nfs/dbraw/zinc/61/55/56/919615556.db2.gz XRNBGPAJWKPULM-UHFFFAOYSA-N 2 1 282.392 -0.295 20 0 CBADMP CCn1ncc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001493794214 919624500 /nfs/dbraw/zinc/62/45/00/919624500.db2.gz UDQNSBYYRJCSMA-LBPRGKRZSA-N 2 1 294.403 -0.202 20 0 CBADMP CCn1ncc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001493794214 919624509 /nfs/dbraw/zinc/62/45/09/919624509.db2.gz UDQNSBYYRJCSMA-LBPRGKRZSA-N 2 1 294.403 -0.202 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@H](C)COC)C1 ZINC001493800972 919624735 /nfs/dbraw/zinc/62/47/35/919624735.db2.gz OTZYLAXBULWZRU-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@H](C)COC)C1 ZINC001493800972 919624750 /nfs/dbraw/zinc/62/47/50/919624750.db2.gz OTZYLAXBULWZRU-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CN(CC[NH2+]Cc1ncnn1C)C(=O)C[NH+]1CCCC1 ZINC001493793993 919626403 /nfs/dbraw/zinc/62/64/03/919626403.db2.gz QQWIFSUKBHSDSS-UHFFFAOYSA-N 2 1 280.376 -0.541 20 0 CBADMP O=C(C[NH+]1CCCC1)NCC[C@H]1CC[N@H+](CCO)C1 ZINC001494078134 919654154 /nfs/dbraw/zinc/65/41/54/919654154.db2.gz GCKHPJXQZSEJMS-ZDUSSCGKSA-N 2 1 269.389 -0.097 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001494121763 919658050 /nfs/dbraw/zinc/65/80/50/919658050.db2.gz GWLXXPDVPBGOFE-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001494121763 919658056 /nfs/dbraw/zinc/65/80/56/919658056.db2.gz GWLXXPDVPBGOFE-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001494121763 919658059 /nfs/dbraw/zinc/65/80/59/919658059.db2.gz GWLXXPDVPBGOFE-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001494841451 919802035 /nfs/dbraw/zinc/80/20/35/919802035.db2.gz HTOWNNMLAMZBEI-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1nnnn1C ZINC001495052046 919854270 /nfs/dbraw/zinc/85/42/70/919854270.db2.gz YBMGLSJSGPANPT-QWRGUYRKSA-N 2 1 297.407 -0.293 20 0 CBADMP CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001495095929 919861204 /nfs/dbraw/zinc/86/12/04/919861204.db2.gz ZMQRFFKBSQYADH-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001495095926 919861384 /nfs/dbraw/zinc/86/13/84/919861384.db2.gz ZMQRFFKBSQYADH-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC ZINC001495106053 919864819 /nfs/dbraw/zinc/86/48/19/919864819.db2.gz DXZGXGBIGYEOCL-QWRGUYRKSA-N 2 1 270.377 -0.832 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC ZINC001495106048 919866241 /nfs/dbraw/zinc/86/62/41/919866241.db2.gz DXZGXGBIGYEOCL-GHMZBOCLSA-N 2 1 270.377 -0.832 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC ZINC001495106055 919866784 /nfs/dbraw/zinc/86/67/84/919866784.db2.gz DXZGXGBIGYEOCL-WDEREUQCSA-N 2 1 270.377 -0.832 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCc1cnc[nH]1 ZINC001496084883 920022384 /nfs/dbraw/zinc/02/23/84/920022384.db2.gz YOFCFCIXACAYTD-WDEREUQCSA-N 2 1 295.387 -0.087 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001496208051 920043314 /nfs/dbraw/zinc/04/33/14/920043314.db2.gz BISSIHYEAJJOFG-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496230030 920048124 /nfs/dbraw/zinc/04/81/24/920048124.db2.gz PDNOTGXLQKYUGU-GHMZBOCLSA-N 2 1 295.391 -0.902 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496230030 920048135 /nfs/dbraw/zinc/04/81/35/920048135.db2.gz PDNOTGXLQKYUGU-GHMZBOCLSA-N 2 1 295.391 -0.902 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001497113222 920248617 /nfs/dbraw/zinc/24/86/17/920248617.db2.gz IEZLIQPHDAEBPR-NEPJUHHUSA-N 2 1 255.362 -0.585 20 0 CBADMP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001497154526 920263917 /nfs/dbraw/zinc/26/39/17/920263917.db2.gz LDURYXBJWACMJZ-VHSXEESVSA-N 2 1 256.350 -0.950 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CC[NH2+]CCO ZINC001497321911 920284127 /nfs/dbraw/zinc/28/41/27/920284127.db2.gz HZEQZLDMYFQLDG-SNVBAGLBSA-N 2 1 254.334 -0.332 20 0 CBADMP CCN(CC[NH2+]CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001497485462 920312154 /nfs/dbraw/zinc/31/21/54/920312154.db2.gz CWRZJEZVNVNQBN-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001497548142 920328691 /nfs/dbraw/zinc/32/86/91/920328691.db2.gz IQVZDDNPBFUQSR-WZQADMAKSA-N 2 1 268.361 -0.784 20 0 CBADMP CC[C@H]([NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001497729711 920375956 /nfs/dbraw/zinc/37/59/56/920375956.db2.gz HVDJULYCJVBXAJ-DRHCNIFCSA-N 2 1 296.415 -0.146 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001497909883 920421053 /nfs/dbraw/zinc/42/10/53/920421053.db2.gz DZHRAOPEOOCYBV-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ncnn1C ZINC001497968457 920430876 /nfs/dbraw/zinc/43/08/76/920430876.db2.gz DCWKYGYTMGOTIW-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ncnn1C ZINC001497968457 920430889 /nfs/dbraw/zinc/43/08/89/920430889.db2.gz DCWKYGYTMGOTIW-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001498041995 920458674 /nfs/dbraw/zinc/45/86/74/920458674.db2.gz JHSOMWHVAMGAEP-QWRGUYRKSA-N 2 1 270.377 -0.561 20 0 CBADMP CC[C@H]([NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001498053444 920463407 /nfs/dbraw/zinc/46/34/07/920463407.db2.gz NIJXKWLKXJYYIJ-JQWIXIFHSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001498064217 920466736 /nfs/dbraw/zinc/46/67/36/920466736.db2.gz KLHBQOIPMYOHCE-VHSXEESVSA-N 2 1 284.360 -0.175 20 0 CBADMP C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)CC[NH+](C)C ZINC001498104586 920482328 /nfs/dbraw/zinc/48/23/28/920482328.db2.gz FZGOOAQYMSIMIB-UWVGGRQHSA-N 2 1 283.380 -0.683 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001498118634 920490195 /nfs/dbraw/zinc/49/01/95/920490195.db2.gz UHQYKRKMHNWMST-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001498133131 920492336 /nfs/dbraw/zinc/49/23/36/920492336.db2.gz CDWIBWMQOGXVHJ-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001498133131 920492348 /nfs/dbraw/zinc/49/23/48/920492348.db2.gz CDWIBWMQOGXVHJ-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001498133131 920492362 /nfs/dbraw/zinc/49/23/62/920492362.db2.gz CDWIBWMQOGXVHJ-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001498159894 920504533 /nfs/dbraw/zinc/50/45/33/920504533.db2.gz LOLULSZNYWLWLS-QWRGUYRKSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001498159894 920504552 /nfs/dbraw/zinc/50/45/52/920504552.db2.gz LOLULSZNYWLWLS-QWRGUYRKSA-N 2 1 295.391 -0.854 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001498328008 920550343 /nfs/dbraw/zinc/55/03/43/920550343.db2.gz WHIOSTHCFXETIG-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)C[NH+](C)C1CCC1 ZINC001498314423 920553811 /nfs/dbraw/zinc/55/38/11/920553811.db2.gz SMNPCIUVAOMQIE-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)C[NH+](C)C1CCC1 ZINC001498314423 920553819 /nfs/dbraw/zinc/55/38/19/920553819.db2.gz SMNPCIUVAOMQIE-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[NH+](C)[C@@H]1CCNC1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001498314423 920553826 /nfs/dbraw/zinc/55/38/26/920553826.db2.gz SMNPCIUVAOMQIE-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[NH+](C)[C@@H]1CCNC1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001498314423 920553835 /nfs/dbraw/zinc/55/38/35/920553835.db2.gz SMNPCIUVAOMQIE-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)CC[NH+](C)C ZINC001498393351 920573196 /nfs/dbraw/zinc/57/31/96/920573196.db2.gz IRGSUIKDKREXIJ-NXEZZACHSA-N 2 1 258.366 -0.752 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)CC[NH+](C)C ZINC001498393351 920573208 /nfs/dbraw/zinc/57/32/08/920573208.db2.gz IRGSUIKDKREXIJ-NXEZZACHSA-N 2 1 258.366 -0.752 20 0 CBADMP CCN1CC[C@H]([N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001498394686 920574087 /nfs/dbraw/zinc/57/40/87/920574087.db2.gz LGHOVPONOSHFKI-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001498694937 920628652 /nfs/dbraw/zinc/62/86/52/920628652.db2.gz PSGWKMGYROBITP-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001499020406 920685043 /nfs/dbraw/zinc/68/50/43/920685043.db2.gz HJKMGJYMSZRUAX-GFCCVEGCSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001499020406 920685050 /nfs/dbraw/zinc/68/50/50/920685050.db2.gz HJKMGJYMSZRUAX-GFCCVEGCSA-N 2 1 266.345 -0.236 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001499264095 920730884 /nfs/dbraw/zinc/73/08/84/920730884.db2.gz RTRGMKVFQRIFTA-VXGBXAGGSA-N 2 1 296.415 -0.156 20 0 CBADMP CCCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001499448012 920746834 /nfs/dbraw/zinc/74/68/34/920746834.db2.gz CXGPFVPXPGWITL-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001499420445 920748924 /nfs/dbraw/zinc/74/89/24/920748924.db2.gz FBRDEHYRYJZWEW-NWDGAFQWSA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001500721560 920865230 /nfs/dbraw/zinc/86/52/30/920865230.db2.gz AJVLGGVSEMMDAW-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001500721558 920867355 /nfs/dbraw/zinc/86/73/55/920867355.db2.gz AJVLGGVSEMMDAW-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP CCC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001500739998 920872457 /nfs/dbraw/zinc/87/24/57/920872457.db2.gz GDNQUOPXSDJDMD-HNNXBMFYSA-N 2 1 299.415 -0.328 20 0 CBADMP CCC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001500739998 920872469 /nfs/dbraw/zinc/87/24/69/920872469.db2.gz GDNQUOPXSDJDMD-HNNXBMFYSA-N 2 1 299.415 -0.328 20 0 CBADMP CCOCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500763240 920877533 /nfs/dbraw/zinc/87/75/33/920877533.db2.gz UCAIOBQLRONHEG-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP CCOCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500763240 920877549 /nfs/dbraw/zinc/87/75/49/920877549.db2.gz UCAIOBQLRONHEG-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP CCOCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500763240 920877562 /nfs/dbraw/zinc/87/75/62/920877562.db2.gz UCAIOBQLRONHEG-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001501363659 920979332 /nfs/dbraw/zinc/97/93/32/920979332.db2.gz BXDCJDGVPLWUPQ-OAHLLOKOSA-N 2 1 299.415 -0.328 20 0 CBADMP COCC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001501363659 920979347 /nfs/dbraw/zinc/97/93/47/920979347.db2.gz BXDCJDGVPLWUPQ-OAHLLOKOSA-N 2 1 299.415 -0.328 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001501400904 920995786 /nfs/dbraw/zinc/99/57/86/920995786.db2.gz ZYYDKGABSKIAHV-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001501400904 920995800 /nfs/dbraw/zinc/99/58/00/920995800.db2.gz ZYYDKGABSKIAHV-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP CC(C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001501443074 921009020 /nfs/dbraw/zinc/00/90/20/921009020.db2.gz KDVDXEHEKPPALA-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001507335809 921811817 /nfs/dbraw/zinc/81/18/17/921811817.db2.gz ZBHGVYHXADQHCE-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCCO)CC[N@H+]1C ZINC001507478403 921843503 /nfs/dbraw/zinc/84/35/03/921843503.db2.gz IDXSHHCTLYEJOM-JHJVBQTASA-N 2 1 287.404 -0.882 20 0 CBADMP CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507562170 921867012 /nfs/dbraw/zinc/86/70/12/921867012.db2.gz JQXDZXFBPNXSBW-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001507601779 921880212 /nfs/dbraw/zinc/88/02/12/921880212.db2.gz BFCMICIYYYQLHD-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001507601779 921880221 /nfs/dbraw/zinc/88/02/21/921880221.db2.gz BFCMICIYYYQLHD-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001507601779 921880228 /nfs/dbraw/zinc/88/02/28/921880228.db2.gz BFCMICIYYYQLHD-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001507601779 921880235 /nfs/dbraw/zinc/88/02/35/921880235.db2.gz BFCMICIYYYQLHD-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001507726799 921892195 /nfs/dbraw/zinc/89/21/95/921892195.db2.gz NBVLFVUJPUEJTN-OLZOCXBDSA-N 2 1 287.404 -0.664 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507726799 921892200 /nfs/dbraw/zinc/89/22/00/921892200.db2.gz NBVLFVUJPUEJTN-OLZOCXBDSA-N 2 1 287.404 -0.664 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507726799 921892206 /nfs/dbraw/zinc/89/22/06/921892206.db2.gz NBVLFVUJPUEJTN-OLZOCXBDSA-N 2 1 287.404 -0.664 20 0 CBADMP CN(CCOCC[NH2+]CC1CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001508172869 921915815 /nfs/dbraw/zinc/91/58/15/921915815.db2.gz JOBZRQHMGWNVRX-AWEZNQCLSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CCOCC[NH2+]CC1CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001508172869 921915831 /nfs/dbraw/zinc/91/58/31/921915831.db2.gz JOBZRQHMGWNVRX-AWEZNQCLSA-N 2 1 299.415 -0.208 20 0 CBADMP CNC(=O)C[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001508211301 921919758 /nfs/dbraw/zinc/91/97/58/921919758.db2.gz JTGNWPQDXJNPPX-UHFFFAOYSA-N 2 1 296.415 -0.178 20 0 CBADMP CNC(=O)C[N@@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001508211301 921919765 /nfs/dbraw/zinc/91/97/65/921919765.db2.gz JTGNWPQDXJNPPX-UHFFFAOYSA-N 2 1 296.415 -0.178 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@@H](CO)C1 ZINC001515357594 922232948 /nfs/dbraw/zinc/23/29/48/922232948.db2.gz HAGPPAAVYRERFX-VWYCJHECSA-N 2 1 255.362 -0.505 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@@H](CO)C1 ZINC001515357594 922232965 /nfs/dbraw/zinc/23/29/65/922232965.db2.gz HAGPPAAVYRERFX-VWYCJHECSA-N 2 1 255.362 -0.505 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001521152236 922337116 /nfs/dbraw/zinc/33/71/16/922337116.db2.gz RGYLFHYSYRGUNI-LLVKDONJSA-N 2 1 257.378 -0.338 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H](O)C[NH3+])C1 ZINC001521496154 922359619 /nfs/dbraw/zinc/35/96/19/922359619.db2.gz PJDSDKZFFOJEQJ-NEPJUHHUSA-N 2 1 257.378 -0.114 20 0 CBADMP C[C@@]1(C(=O)N2CC[NH+](C3CCC3)CC2)C[C@@H](O)C[NH2+]1 ZINC001521482051 922360980 /nfs/dbraw/zinc/36/09/80/922360980.db2.gz CSFPYJIHZVOXHH-OCCSQVGLSA-N 2 1 267.373 -0.204 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCCC[C@H]1C[NH3+] ZINC001522444896 922416214 /nfs/dbraw/zinc/41/62/14/922416214.db2.gz IFJCNKVFBHLYFH-AGIUHOORSA-N 2 1 266.389 -0.286 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001523001015 922558954 /nfs/dbraw/zinc/55/89/54/922558954.db2.gz ZWDDVTJFMHCXGZ-GFCCVEGCSA-N 2 1 254.378 -0.508 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001524028542 922615546 /nfs/dbraw/zinc/61/55/46/922615546.db2.gz CFKFMTFTWWYTQB-TUAOUCFPSA-N 2 1 256.394 -0.408 20 0 CBADMP CN1CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CC[N@H+](C)CC1 ZINC001523481716 922597478 /nfs/dbraw/zinc/59/74/78/922597478.db2.gz FEXRGAJHQLKDSG-HIFRSBDPSA-N 2 1 280.416 -0.166 20 0 CBADMP CN1CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CC[N@@H+](C)CC1 ZINC001523481716 922597486 /nfs/dbraw/zinc/59/74/86/922597486.db2.gz FEXRGAJHQLKDSG-HIFRSBDPSA-N 2 1 280.416 -0.166 20 0 CBADMP COCC[NH2+]CC(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001523482269 922597718 /nfs/dbraw/zinc/59/77/18/922597718.db2.gz MDTSKNBXQZISKX-UHFFFAOYSA-N 2 1 253.306 -0.839 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@H]1C[N@@H+](C)CCN1C ZINC001524028326 922613215 /nfs/dbraw/zinc/61/32/15/922613215.db2.gz ARCIGYJBRAMBST-NJMOYASZSA-N 2 1 266.389 -0.513 20 0 CBADMP C[C@H](NC(=O)C1(C)C[NH2+]C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001524028517 922613728 /nfs/dbraw/zinc/61/37/28/922613728.db2.gz CCWSVBGEVQJXBH-QWRGUYRKSA-N 2 1 254.378 -0.654 20 0 CBADMP [NH3+]C1(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC001524008463 922614361 /nfs/dbraw/zinc/61/43/61/922614361.db2.gz HFDMRLSRMRJIEF-GHMZBOCLSA-N 2 1 253.346 -0.465 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@@H]1C[N@@H+](C)CCN1C ZINC001524028324 922614516 /nfs/dbraw/zinc/61/45/16/922614516.db2.gz ARCIGYJBRAMBST-KVSVUVNWSA-N 2 1 266.389 -0.513 20 0 CBADMP C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001524028835 922615013 /nfs/dbraw/zinc/61/50/13/922615013.db2.gz FHGJDZLZKYKNIC-CYZMBNFOSA-N 2 1 268.405 -0.136 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C ZINC001527708787 922767449 /nfs/dbraw/zinc/76/74/49/922767449.db2.gz ZWMGRCRULAVZLI-OLZOCXBDSA-N 2 1 268.405 -0.169 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001527708787 922767463 /nfs/dbraw/zinc/76/74/63/922767463.db2.gz ZWMGRCRULAVZLI-OLZOCXBDSA-N 2 1 268.405 -0.169 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001527708787 922767477 /nfs/dbraw/zinc/76/74/77/922767477.db2.gz ZWMGRCRULAVZLI-OLZOCXBDSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001530649072 922955446 /nfs/dbraw/zinc/95/54/46/922955446.db2.gz QUPUJUZHDCTNHD-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCC(=O)NC/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001533585853 923111522 /nfs/dbraw/zinc/11/15/22/923111522.db2.gz KBIKUPMLNQZZJV-MUBLQREKSA-N 2 1 296.415 -0.179 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001548549307 923376227 /nfs/dbraw/zinc/37/62/27/923376227.db2.gz VRXVIQBVUSAXRA-AWEZNQCLSA-N 2 1 285.388 -0.718 20 0 CBADMP C[NH2+]C1CC(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC001548556904 923379200 /nfs/dbraw/zinc/37/92/00/923379200.db2.gz GJMFJPNPUNGTRR-WXRRBKDZSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC001548559049 923381579 /nfs/dbraw/zinc/38/15/79/923381579.db2.gz ULJXERRZJGZCLV-XBFCOCLRSA-N 2 1 292.383 -0.229 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548558688 923382539 /nfs/dbraw/zinc/38/25/39/923382539.db2.gz YVNUYKBMUSPVSX-JTQLQIEISA-N 2 1 276.287 -0.405 20 0 CBADMP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC001548559588 923384605 /nfs/dbraw/zinc/38/46/05/923384605.db2.gz XZQTUISQGDPAKF-UONOGXRCSA-N 2 1 289.383 -0.542 20 0 CBADMP O=C(NCC[C@@H]1CSCC[NH2+]1)[C@@H]1COCC[NH2+]1 ZINC001548562447 923386848 /nfs/dbraw/zinc/38/68/48/923386848.db2.gz DAOCUBXTKWWNBY-ZJUUUORDSA-N 2 1 259.375 -0.814 20 0 CBADMP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC001548561040 923387390 /nfs/dbraw/zinc/38/73/90/923387390.db2.gz FZIHHOGCOYCHLW-UONOGXRCSA-N 2 1 289.383 -0.542 20 0 CBADMP C[C@@H]1C[N@H+](CCNC(=O)C[C@]2(O)CCC[NH2+]C2)[C@H](C)CO1 ZINC001548570885 923393113 /nfs/dbraw/zinc/39/31/13/923393113.db2.gz XZLNBGVNJWXYAZ-UMVBOHGHSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@@H]1C[N@@H+](CCNC(=O)C[C@]2(O)CCC[NH2+]C2)[C@H](C)CO1 ZINC001548570885 923393125 /nfs/dbraw/zinc/39/31/25/923393125.db2.gz XZLNBGVNJWXYAZ-UMVBOHGHSA-N 2 1 299.415 -0.284 20 0 CBADMP CC1CC[NH+](CC(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)CC1 ZINC001548578826 923403477 /nfs/dbraw/zinc/40/34/77/923403477.db2.gz MMKCQTXNONZPST-CQSZACIVSA-N 2 1 280.372 -0.286 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)C1CC[NH+](C)CC1 ZINC001548613179 923406336 /nfs/dbraw/zinc/40/63/36/923406336.db2.gz GPBDMIYJYLVAOV-JSGCOSHPSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC001548643104 923420381 /nfs/dbraw/zinc/42/03/81/923420381.db2.gz AJYJOODQNXZRFI-VHDGCEQUSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001548643104 923420393 /nfs/dbraw/zinc/42/03/93/923420393.db2.gz AJYJOODQNXZRFI-VHDGCEQUSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001548643104 923420404 /nfs/dbraw/zinc/42/04/04/923420404.db2.gz AJYJOODQNXZRFI-VHDGCEQUSA-N 2 1 292.427 -0.025 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)C1 ZINC001548642748 923420887 /nfs/dbraw/zinc/42/08/87/923420887.db2.gz GPLFLEGSRMPEIV-IHRRRGAJSA-N 2 1 296.415 -0.788 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C1 ZINC001548642748 923420895 /nfs/dbraw/zinc/42/08/95/923420895.db2.gz GPLFLEGSRMPEIV-IHRRRGAJSA-N 2 1 296.415 -0.788 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001548642748 923420910 /nfs/dbraw/zinc/42/09/10/923420910.db2.gz GPLFLEGSRMPEIV-IHRRRGAJSA-N 2 1 296.415 -0.788 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)C1 ZINC001548642750 923422697 /nfs/dbraw/zinc/42/26/97/923422697.db2.gz GPLFLEGSRMPEIV-RDBSUJKOSA-N 2 1 296.415 -0.788 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C1 ZINC001548642750 923422705 /nfs/dbraw/zinc/42/27/05/923422705.db2.gz GPLFLEGSRMPEIV-RDBSUJKOSA-N 2 1 296.415 -0.788 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001548642750 923422716 /nfs/dbraw/zinc/42/27/16/923422716.db2.gz GPLFLEGSRMPEIV-RDBSUJKOSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C)[NH+](C)C1CC1 ZINC001548640228 923423762 /nfs/dbraw/zinc/42/37/62/923423762.db2.gz PITXVFDAXWFECC-YRGRVCCFSA-N 2 1 280.416 -0.026 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[NH+]2CCN1C[C@H]2C)[N@H+](C)C1CC1 ZINC001548640228 923423770 /nfs/dbraw/zinc/42/37/70/923423770.db2.gz PITXVFDAXWFECC-YRGRVCCFSA-N 2 1 280.416 -0.026 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[NH+]2CCN1C[C@H]2C)[N@@H+](C)C1CC1 ZINC001548640228 923423778 /nfs/dbraw/zinc/42/37/78/923423778.db2.gz PITXVFDAXWFECC-YRGRVCCFSA-N 2 1 280.416 -0.026 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001548667431 923436497 /nfs/dbraw/zinc/43/64/97/923436497.db2.gz WBJLBEOHBVAIDB-PAPYEOQZSA-N 2 1 292.427 -0.026 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001548667431 923436502 /nfs/dbraw/zinc/43/65/02/923436502.db2.gz WBJLBEOHBVAIDB-PAPYEOQZSA-N 2 1 292.427 -0.026 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548667431 923436510 /nfs/dbraw/zinc/43/65/10/923436510.db2.gz WBJLBEOHBVAIDB-PAPYEOQZSA-N 2 1 292.427 -0.026 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC001548699355 923457051 /nfs/dbraw/zinc/45/70/51/923457051.db2.gz CCUOJHAZYRHCSV-STQMWFEESA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001548699355 923457059 /nfs/dbraw/zinc/45/70/59/923457059.db2.gz CCUOJHAZYRHCSV-STQMWFEESA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001548699355 923457066 /nfs/dbraw/zinc/45/70/66/923457066.db2.gz CCUOJHAZYRHCSV-STQMWFEESA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC001548699345 923460269 /nfs/dbraw/zinc/46/02/69/923460269.db2.gz CCUOJHAZYRHCSV-CHWSQXEVSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001548699345 923460274 /nfs/dbraw/zinc/46/02/74/923460274.db2.gz CCUOJHAZYRHCSV-CHWSQXEVSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001548699345 923460279 /nfs/dbraw/zinc/46/02/79/923460279.db2.gz CCUOJHAZYRHCSV-CHWSQXEVSA-N 2 1 280.416 -0.073 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)C1 ZINC001548750680 923494408 /nfs/dbraw/zinc/49/44/08/923494408.db2.gz NRMJVIFIXHHFBJ-HNNXBMFYSA-N 2 1 298.431 -0.995 20 0 CBADMP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC001549043472 923526306 /nfs/dbraw/zinc/52/63/06/923526306.db2.gz KBOOSDPFQJJBFL-KGLIPLIRSA-N 3 1 280.416 -0.118 20 0 CBADMP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC001549043472 923526315 /nfs/dbraw/zinc/52/63/15/923526315.db2.gz KBOOSDPFQJJBFL-KGLIPLIRSA-N 3 1 280.416 -0.118 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC001549042835 923526740 /nfs/dbraw/zinc/52/67/40/923526740.db2.gz DKIJMMHJUDAHIJ-MNOVXSKESA-N 2 1 263.345 -0.498 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC001549044664 923533897 /nfs/dbraw/zinc/53/38/97/923533897.db2.gz HNOSCJQJSNETAJ-HUBLWGQQSA-N 2 1 289.383 -0.107 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC001549044668 923534787 /nfs/dbraw/zinc/53/47/87/923534787.db2.gz HNOSCJQJSNETAJ-TYNCELHUSA-N 2 1 289.383 -0.107 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC001549045419 923539629 /nfs/dbraw/zinc/53/96/29/923539629.db2.gz XQXHKDMSDAEDCJ-BDAKNGLRSA-N 2 1 287.314 -0.125 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001549045919 923540258 /nfs/dbraw/zinc/54/02/58/923540258.db2.gz WKBCDYRKBWBFDY-SNVBAGLBSA-N 2 1 278.312 -0.690 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001549045918 923540815 /nfs/dbraw/zinc/54/08/15/923540815.db2.gz WKBCDYRKBWBFDY-JTQLQIEISA-N 2 1 278.312 -0.690 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC001549047054 923543345 /nfs/dbraw/zinc/54/33/45/923543345.db2.gz FAGGWTPJEBDMBV-QMMMGPOBSA-N 2 1 297.384 -0.249 20 0 CBADMP [NH3+]C[C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CCCO1 ZINC001549048297 923545492 /nfs/dbraw/zinc/54/54/92/923545492.db2.gz CFEUNOKWGMXQTN-GHMZBOCLSA-N 2 1 293.371 -0.324 20 0 CBADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC001549051391 923549463 /nfs/dbraw/zinc/54/94/63/923549463.db2.gz VFXJGKHCYCTDCH-DMDPSCGWSA-N 2 1 253.346 -0.282 20 0 CBADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001549113689 923557648 /nfs/dbraw/zinc/55/76/48/923557648.db2.gz OUDNMIRXIWNZIL-TZMCWYRMSA-N 3 1 266.389 -0.521 20 0 CBADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001549113689 923557660 /nfs/dbraw/zinc/55/76/60/923557660.db2.gz OUDNMIRXIWNZIL-TZMCWYRMSA-N 3 1 266.389 -0.521 20 0 CBADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC001549117089 923558321 /nfs/dbraw/zinc/55/83/21/923558321.db2.gz PZQILGWXMNKDEG-KGLIPLIRSA-N 3 1 252.406 -0.048 20 0 CBADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@H]3COCC[NH2+]3)C2)C1 ZINC001549124138 923559855 /nfs/dbraw/zinc/55/98/55/923559855.db2.gz NXWQIZVCYVEJRJ-SYQHCUMBSA-N 2 1 297.399 -0.280 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001549128246 923560865 /nfs/dbraw/zinc/56/08/65/923560865.db2.gz KPWKPAHWQWVSSL-MNXVOIDGSA-N 2 1 267.373 -0.049 20 0 CBADMP C[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001549171961 923568074 /nfs/dbraw/zinc/56/80/74/923568074.db2.gz ITURJCAWJOVXLG-ZJUUUORDSA-N 2 1 251.334 -0.499 20 0 CBADMP O=C(NCC12CC(C1)C[NH2+]2)N1CC[N@H+]2C[C@H](O)C[C@@H]2C1 ZINC001549212448 923570448 /nfs/dbraw/zinc/57/04/48/923570448.db2.gz FUWSAQSJARAZLG-CBKZZEEASA-N 2 1 280.372 -0.801 20 0 CBADMP O=C(C[N@H+]1CC[C@@H](CN2CCCC2=O)C1)N1CC[NH2+]CC1 ZINC001549285554 923578474 /nfs/dbraw/zinc/57/84/74/923578474.db2.gz WHBXQVICHHOBKT-CYBMUJFWSA-N 2 1 294.399 -0.638 20 0 CBADMP [NH3+]CC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549299723 923589100 /nfs/dbraw/zinc/58/91/00/923589100.db2.gz CYUAASNAEKCBEL-MNOVXSKESA-N 2 1 253.346 -0.295 20 0 CBADMP COC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549301479 923589268 /nfs/dbraw/zinc/58/92/68/923589268.db2.gz RWCBQRTUYXQVNE-AVGNSLFASA-N 2 1 297.399 -0.280 20 0 CBADMP C[NH+](C)[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1n1ccnn1 ZINC001549670008 923626075 /nfs/dbraw/zinc/62/60/75/923626075.db2.gz DJAZYYURGSHZFA-YNEHKIRRSA-N 2 1 292.387 -0.314 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549740299 923639910 /nfs/dbraw/zinc/63/99/10/923639910.db2.gz NZCXPOCLDYCKSR-KQXIARHKSA-N 2 1 293.371 -0.950 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC[C@H]21 ZINC001549883193 923645366 /nfs/dbraw/zinc/64/53/66/923645366.db2.gz LENDLJLYJOKTHS-FRRDWIJNSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001550088169 923673562 /nfs/dbraw/zinc/67/35/62/923673562.db2.gz NTCKGPPUVVRDGI-DGCLKSJQSA-N 2 1 292.387 -0.230 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3ncccn3)CC[C@@H]21 ZINC001550105156 923683100 /nfs/dbraw/zinc/68/31/00/923683100.db2.gz ZXYQLMOEYPNHKI-UPJWGTAASA-N 2 1 289.383 -0.101 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001550103593 923683671 /nfs/dbraw/zinc/68/36/71/923683671.db2.gz DDSWEADXCBVWBQ-LOWDOPEQSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001550103593 923683678 /nfs/dbraw/zinc/68/36/78/923683678.db2.gz DDSWEADXCBVWBQ-LOWDOPEQSA-N 2 1 267.373 -0.084 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3ncccn3)CC[C@H]21 ZINC001550105155 923683741 /nfs/dbraw/zinc/68/37/41/923683741.db2.gz ZXYQLMOEYPNHKI-JHJVBQTASA-N 2 1 289.383 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC[C@H]21 ZINC001550103522 923684561 /nfs/dbraw/zinc/68/45/61/923684561.db2.gz CNVBULBQRGMPRP-WISYIIOYSA-N 2 1 253.346 -0.738 20 0 CBADMP C[C@H]([NH3+])CC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001550117167 923691010 /nfs/dbraw/zinc/69/10/10/923691010.db2.gz WQHGKVQGAURSNC-RYUDHWBXSA-N 2 1 254.378 -0.428 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001550186614 923708138 /nfs/dbraw/zinc/70/81/38/923708138.db2.gz VLUCQQNVZBINCK-UPJWGTAASA-N 2 1 297.399 -0.280 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)C1=O ZINC001550436687 923729536 /nfs/dbraw/zinc/72/95/36/923729536.db2.gz JBHSILHQUFRJNL-SMDDNHRTSA-N 2 1 280.372 -0.059 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC001550436686 923730264 /nfs/dbraw/zinc/73/02/64/923730264.db2.gz JBHSILHQUFRJNL-RISCZKNCSA-N 2 1 280.372 -0.059 20 0 CBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)[C@H]2C1 ZINC001550717954 923737389 /nfs/dbraw/zinc/73/73/89/923737389.db2.gz BVSNQOLFTKLQOR-QMVSFRDZSA-N 2 1 295.383 -0.563 20 0 CBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CC[NH2+]C[C@H](O)C1 ZINC001550738829 923744264 /nfs/dbraw/zinc/74/42/64/923744264.db2.gz CSOMUCOZJDIMOT-MJBXVCDLSA-N 2 1 296.415 -0.021 20 0 CBADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001550935059 923755662 /nfs/dbraw/zinc/75/56/62/923755662.db2.gz PBVJGFGIIXVVGZ-FRRDWIJNSA-N 3 1 251.374 -0.094 20 0 CBADMP [NH3+][C@@H]1C[C@@H](O)[C@@H](N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC001550934963 923755822 /nfs/dbraw/zinc/75/58/22/923755822.db2.gz OMUOJYJMVWTUSQ-HVQZGBDUSA-N 3 1 294.443 -0.262 20 0 CBADMP 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 923796072 /nfs/dbraw/zinc/79/60/72/923796072.db2.gz DMTDLZTXHJDSCF-BIGJJFBESA-N 2 1 279.384 -0.084 20 0 CBADMP C[N@@H+]1[C@H]2CN(C(=O)NC3CC4(C[C@@H]4[NH3+])C3)C[C@H]2C[C@H]1CO ZINC001551586208 923805612 /nfs/dbraw/zinc/80/56/12/923805612.db2.gz MPLVUXAXVFEYGO-PCKRFRQOSA-N 2 1 294.399 -0.427 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552197490 923850191 /nfs/dbraw/zinc/85/01/91/923850191.db2.gz FIWYFGMRKAMZPL-YPMHNXCESA-N 2 1 253.346 -0.614 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C[N@H+]1C1CC1 ZINC001552199977 923855392 /nfs/dbraw/zinc/85/53/92/923855392.db2.gz GAVLWSYINNVWLP-OXJKWZBOSA-N 2 1 279.384 -0.036 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC001552199742 923855902 /nfs/dbraw/zinc/85/59/02/923855902.db2.gz IDNBQBLXFKLWIK-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552199479 923857090 /nfs/dbraw/zinc/85/70/90/923857090.db2.gz GIDMZPVOWSSIGD-OCCSQVGLSA-N 2 1 267.373 -0.225 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[C@@H]1C ZINC001552201564 923858418 /nfs/dbraw/zinc/85/84/18/923858418.db2.gz RNTXCNXHCDNPDW-GUTXKFCHSA-N 2 1 297.399 -0.599 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[C@@H]1C ZINC001552201564 923858427 /nfs/dbraw/zinc/85/84/27/923858427.db2.gz RNTXCNXHCDNPDW-GUTXKFCHSA-N 2 1 297.399 -0.599 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552201997 923859783 /nfs/dbraw/zinc/85/97/83/923859783.db2.gz ZCODSBHEOOEZBL-BZPMIXESSA-N 2 1 267.373 -0.320 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201915 923860206 /nfs/dbraw/zinc/86/02/06/923860206.db2.gz VDHBHXYCATYHIM-UMVBOHGHSA-N 2 1 297.399 -0.551 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[C@H]1C ZINC001552201565 923860783 /nfs/dbraw/zinc/86/07/83/923860783.db2.gz RNTXCNXHCDNPDW-NFAWXSAZSA-N 2 1 297.399 -0.599 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[C@H]1C ZINC001552201565 923860792 /nfs/dbraw/zinc/86/07/92/923860792.db2.gz RNTXCNXHCDNPDW-NFAWXSAZSA-N 2 1 297.399 -0.599 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001552216273 923867444 /nfs/dbraw/zinc/86/74/44/923867444.db2.gz NGDDFSPOMQOYFV-SCRDCRAPSA-N 2 1 267.373 -0.177 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1(C)C ZINC001552280354 923879682 /nfs/dbraw/zinc/87/96/82/923879682.db2.gz AOOFXXPPZIXGMG-SMDDNHRTSA-N 2 1 267.373 -0.225 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1(C)C ZINC001552280354 923879690 /nfs/dbraw/zinc/87/96/90/923879690.db2.gz AOOFXXPPZIXGMG-SMDDNHRTSA-N 2 1 267.373 -0.225 20 0 CBADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N1C[C@@H]([NH3+])[C@@H](N)C1 ZINC001552292303 923881895 /nfs/dbraw/zinc/88/18/95/923881895.db2.gz HIHQQEJSMBRHSX-XQHKEYJVSA-N 2 1 281.404 -0.365 20 0 CBADMP C[C@H]1CN(C(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)CC[N@H+](C2CC2)C1 ZINC001552294074 923885255 /nfs/dbraw/zinc/88/52/55/923885255.db2.gz XRKKLXHSUMDKAR-RTXFEEFZSA-N 2 1 281.404 -0.507 20 0 CBADMP C[C@H]1CN(C(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)CC[N@@H+](C2CC2)C1 ZINC001552294074 923885266 /nfs/dbraw/zinc/88/52/66/923885266.db2.gz XRKKLXHSUMDKAR-RTXFEEFZSA-N 2 1 281.404 -0.507 20 0 CBADMP C[C@H]1CN(C(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)CC[N@H+](C2CC2)C1 ZINC001552294074 923885277 /nfs/dbraw/zinc/88/52/77/923885277.db2.gz XRKKLXHSUMDKAR-RTXFEEFZSA-N 2 1 281.404 -0.507 20 0 CBADMP C[C@H]1CN(C(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)CC[N@H+](C2CCC2)C1 ZINC001552293854 923886345 /nfs/dbraw/zinc/88/63/45/923886345.db2.gz WKEKQKQSYDNBNM-BNOWGMLFSA-N 2 1 295.431 -0.117 20 0 CBADMP C[C@H]1CN(C(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)CC[N@@H+](C2CCC2)C1 ZINC001552293854 923886356 /nfs/dbraw/zinc/88/63/56/923886356.db2.gz WKEKQKQSYDNBNM-BNOWGMLFSA-N 2 1 295.431 -0.117 20 0 CBADMP C[C@H]1CN(C(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)CC[N@H+](C2CCC2)C1 ZINC001552293854 923886364 /nfs/dbraw/zinc/88/63/64/923886364.db2.gz WKEKQKQSYDNBNM-BNOWGMLFSA-N 2 1 295.431 -0.117 20 0 CBADMP CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C[C@@H]21 ZINC001552719716 923917174 /nfs/dbraw/zinc/91/71/74/923917174.db2.gz YZNHDCBQTHMLKR-MELADBBJSA-N 2 1 295.383 -0.561 20 0 CBADMP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1)[NH+](C)C ZINC001552770745 923917262 /nfs/dbraw/zinc/91/72/62/923917262.db2.gz CZBQXFKLQXXYOL-ZIAGYGMSSA-N 2 1 297.447 -0.032 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)N3C[C@@H](N)[C@@H]([NH3+])C3)CC[C@@H]21 ZINC001552961117 923926515 /nfs/dbraw/zinc/92/65/15/923926515.db2.gz RKUFTTQVYJVHKC-WYUUTHIRSA-N 2 1 267.377 -0.897 20 0 CBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)N3C[C@@H]([NH3+])[C@@H](N)C3)CC[C@@H]21 ZINC001552961117 923926522 /nfs/dbraw/zinc/92/65/22/923926522.db2.gz RKUFTTQVYJVHKC-WYUUTHIRSA-N 2 1 267.377 -0.897 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)N3C[C@@H]([NH3+])[C@@H](N)C3)CC[C@@H]21 ZINC001552961117 923926529 /nfs/dbraw/zinc/92/65/29/923926529.db2.gz RKUFTTQVYJVHKC-WYUUTHIRSA-N 2 1 267.377 -0.897 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001552955961 923927019 /nfs/dbraw/zinc/92/70/19/923927019.db2.gz QFIIIAXEEIMFEZ-QWHCGFSZSA-N 2 1 283.420 -0.245 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H](C[NH3+])C3CC3)C2)CC1 ZINC001552955242 923927827 /nfs/dbraw/zinc/92/78/27/923927827.db2.gz RRQXLEYVDSNVRV-ZIAGYGMSSA-N 2 1 295.431 -0.245 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001552955960 923928192 /nfs/dbraw/zinc/92/81/92/923928192.db2.gz QFIIIAXEEIMFEZ-OLZOCXBDSA-N 2 1 283.420 -0.245 20 0 CBADMP CN1CC[NH+]([C@H]2CCN(C(=O)NC[C@H]([NH3+])C3CC3)C2)CC1 ZINC001552954560 923928671 /nfs/dbraw/zinc/92/86/71/923928671.db2.gz DQJBHMIATKCTQT-KBPBESRZSA-N 2 1 295.431 -0.245 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2C[C@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC001552981276 923929836 /nfs/dbraw/zinc/92/98/36/923929836.db2.gz RKQXGJIWKVYYNX-TZMCWYRMSA-N 2 1 280.416 -0.358 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@H]3CC[N@H+](C)[C@@H]3C2)C1 ZINC001552981276 923929839 /nfs/dbraw/zinc/92/98/39/923929839.db2.gz RKQXGJIWKVYYNX-TZMCWYRMSA-N 2 1 280.416 -0.358 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@H]3CC[N@@H+](C)[C@@H]3C2)C1 ZINC001552981276 923929849 /nfs/dbraw/zinc/92/98/49/923929849.db2.gz RKQXGJIWKVYYNX-TZMCWYRMSA-N 2 1 280.416 -0.358 20 0 CBADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C[NH3+] ZINC001553014107 923936919 /nfs/dbraw/zinc/93/69/19/923936919.db2.gz MSCMYZSHEBWTOR-RWMBFGLXSA-N 3 1 269.389 -0.340 20 0 CBADMP CCO[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C[NH3+] ZINC001553014107 923936926 /nfs/dbraw/zinc/93/69/26/923936926.db2.gz MSCMYZSHEBWTOR-RWMBFGLXSA-N 2 1 269.389 -0.340 20 0 CBADMP CN(C(=O)C1CN(C)CC[NH+](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC001552988482 923937142 /nfs/dbraw/zinc/93/71/42/923937142.db2.gz LHSJUNUDAKQSGG-CYBMUJFWSA-N 2 1 268.405 -0.358 20 0 CBADMP CN(C(=O)C1CN(C)CC[N@H+](C)C1)[C@@H]1CC[NH+](C)C1 ZINC001552988482 923937150 /nfs/dbraw/zinc/93/71/50/923937150.db2.gz LHSJUNUDAKQSGG-CYBMUJFWSA-N 2 1 268.405 -0.358 20 0 CBADMP CN(C(=O)C1CN(C)CC[N@@H+](C)C1)[C@@H]1CC[NH+](C)C1 ZINC001552988482 923937160 /nfs/dbraw/zinc/93/71/60/923937160.db2.gz LHSJUNUDAKQSGG-CYBMUJFWSA-N 2 1 268.405 -0.358 20 0 CBADMP NC(=O)C12CC(C1)C[N@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001553304144 923947180 /nfs/dbraw/zinc/94/71/80/923947180.db2.gz ARUPDIDZYBKZFP-QGPNDVEFSA-N 2 1 265.357 -0.295 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)NCC3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553350762 923952885 /nfs/dbraw/zinc/95/28/85/923952885.db2.gz VKTFOWBHCHHUKA-DZGCQCFKSA-N 3 1 280.416 -0.357 20 0 CBADMP CN1CC[C@@]2(C(=O)NCC3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553350762 923952891 /nfs/dbraw/zinc/95/28/91/923952891.db2.gz VKTFOWBHCHHUKA-DZGCQCFKSA-N 2 1 280.416 -0.357 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)C1 ZINC001553348120 923954296 /nfs/dbraw/zinc/95/42/96/923954296.db2.gz IQXLXTGGVSXHQY-SCRDCRAPSA-N 3 1 266.389 -0.652 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)C1 ZINC001553348120 923954307 /nfs/dbraw/zinc/95/43/07/923954307.db2.gz IQXLXTGGVSXHQY-SCRDCRAPSA-N 3 1 266.389 -0.652 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)NCCN3CC[NH2+]CC3)cc2C[NH2+]1 ZINC001553351783 923954334 /nfs/dbraw/zinc/95/43/34/923954334.db2.gz NSFMWDDJJOQFEH-LLVKDONJSA-N 2 1 292.387 -0.990 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC[C@H]3CCC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553355182 923955997 /nfs/dbraw/zinc/95/59/97/923955997.db2.gz UMIBBDMDYBGQGY-GUTXKFCHSA-N 3 1 280.416 -0.357 20 0 CBADMP CN1CC[C@]2(C(=O)NC[C@H]3CCC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553355182 923956008 /nfs/dbraw/zinc/95/60/08/923956008.db2.gz UMIBBDMDYBGQGY-GUTXKFCHSA-N 2 1 280.416 -0.357 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CC[C@H](C[NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553355917 923956095 /nfs/dbraw/zinc/95/60/95/923956095.db2.gz PWDZEZMZEDJWND-BZPMIXESSA-N 3 1 266.389 -0.665 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CC[C@H](C[NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553355917 923956104 /nfs/dbraw/zinc/95/61/04/923956104.db2.gz PWDZEZMZEDJWND-BZPMIXESSA-N 3 1 266.389 -0.665 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC[C@@H]3CCC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553355183 923958245 /nfs/dbraw/zinc/95/82/45/923958245.db2.gz UMIBBDMDYBGQGY-IPYPFGDCSA-N 3 1 280.416 -0.357 20 0 CBADMP CN1CC[C@]2(C(=O)NC[C@@H]3CCC[NH2+]C3)C[NH2+]C[C@H]2C1 ZINC001553355183 923958255 /nfs/dbraw/zinc/95/82/55/923958255.db2.gz UMIBBDMDYBGQGY-IPYPFGDCSA-N 2 1 280.416 -0.357 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553357143 923959936 /nfs/dbraw/zinc/95/99/36/923959936.db2.gz VVCXXTFVXVCXTC-LOWVWBTDSA-N 3 1 254.378 -0.619 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CN(C)CC2 ZINC001553357143 923959948 /nfs/dbraw/zinc/95/99/48/923959948.db2.gz VVCXXTFVXVCXTC-LOWVWBTDSA-N 2 1 254.378 -0.619 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)CC[C@H]1[NH3+] ZINC001553356680 923960329 /nfs/dbraw/zinc/96/03/29/923960329.db2.gz UIENCOURYIXOON-COMQUAJESA-N 3 1 280.416 -0.277 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)CC[C@H]1[NH3+] ZINC001553356680 923960340 /nfs/dbraw/zinc/96/03/40/923960340.db2.gz UIENCOURYIXOON-COMQUAJESA-N 3 1 280.416 -0.277 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NCC(C)(C)[NH3+])C[NH2+]C[C@H]2C1 ZINC001553358604 923961049 /nfs/dbraw/zinc/96/10/49/923961049.db2.gz QLFYFCLODPFHAN-GWCFXTLKSA-N 3 1 254.378 -0.619 20 0 CBADMP CN1CC[C@]2(C(=O)NCC(C)(C)[NH3+])C[NH2+]C[C@H]2C1 ZINC001553358604 923961060 /nfs/dbraw/zinc/96/10/60/923961060.db2.gz QLFYFCLODPFHAN-GWCFXTLKSA-N 2 1 254.378 -0.619 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)C1 ZINC001553355981 923962026 /nfs/dbraw/zinc/96/20/26/923962026.db2.gz QLJGOHGIPDRWHR-UMVBOHGHSA-N 3 1 280.416 -0.262 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)C1 ZINC001553355981 923962033 /nfs/dbraw/zinc/96/20/33/923962033.db2.gz QLJGOHGIPDRWHR-UMVBOHGHSA-N 3 1 280.416 -0.262 20 0 CBADMP CC(C)NC(=O)CNC(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553371063 923963959 /nfs/dbraw/zinc/96/39/59/923963959.db2.gz BBVKNAWBWSIURY-FZMZJTMJSA-N 2 1 282.388 -0.832 20 0 CBADMP CCCNC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553372479 923966394 /nfs/dbraw/zinc/96/63/94/923966394.db2.gz ADOCPAWRNQXGRK-SMDDNHRTSA-N 2 1 282.388 -0.830 20 0 CBADMP Cn1ccc(NC(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)n1 ZINC001553377380 923967816 /nfs/dbraw/zinc/96/78/16/923967816.db2.gz GDMIMHDJLYWFOO-ZWNOBZJWSA-N 2 1 263.345 -0.100 20 0 CBADMP Cn1cc(NC(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)ccc1=O ZINC001553395796 923969598 /nfs/dbraw/zinc/96/95/98/923969598.db2.gz WMYYASKKBZUYQT-NHYWBVRUSA-N 2 1 290.367 -0.135 20 0 CBADMP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)CCO1 ZINC001553378597 923969694 /nfs/dbraw/zinc/96/96/94/923969694.db2.gz VHDXSVWVWHGTOU-YRGRVCCFSA-N 2 1 267.373 -0.225 20 0 CBADMP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)CCO1 ZINC001553378597 923969711 /nfs/dbraw/zinc/96/97/11/923969711.db2.gz VHDXSVWVWHGTOU-YRGRVCCFSA-N 2 1 267.373 -0.225 20 0 CBADMP C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553408988 923984266 /nfs/dbraw/zinc/98/42/66/923984266.db2.gz KKFXAKLGRLOQAQ-WOPDTQHZSA-N 2 1 253.346 -0.330 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553414635 923989503 /nfs/dbraw/zinc/98/95/03/923989503.db2.gz RHEYGSXVOIJATK-XGFWRYKXSA-N 2 1 295.383 -0.515 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553414628 923990513 /nfs/dbraw/zinc/99/05/13/923990513.db2.gz RHEYGSXVOIJATK-DGTMBMJNSA-N 2 1 295.383 -0.515 20 0 CBADMP C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)[C@@H]1C[N@@H+](C)CCN1C ZINC001553430929 923998601 /nfs/dbraw/zinc/99/86/01/923998601.db2.gz WTKZTXZQTHYTIW-PEDHHIEDSA-N 2 1 296.415 -0.744 20 0 CBADMP [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 924001578 /nfs/dbraw/zinc/00/15/78/924001578.db2.gz IVWICQNTKPSRFI-KSTCHIGDSA-N 2 1 294.399 -0.304 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001553450178 924001721 /nfs/dbraw/zinc/00/17/21/924001721.db2.gz OTPFXAJXFCRGJF-ZFWWWQNUSA-N 2 1 295.431 -0.230 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001553494290 924009684 /nfs/dbraw/zinc/00/96/84/924009684.db2.gz DXEOZTGXVKTVJD-FRRDWIJNSA-N 2 1 284.404 -0.178 20 0 CBADMP [NH3+]C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)C1CC1 ZINC001553494643 924009875 /nfs/dbraw/zinc/00/98/75/924009875.db2.gz CINZDDWPDGQSQR-BFHYXJOUSA-N 2 1 296.415 -0.036 20 0 CBADMP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553492824 924010768 /nfs/dbraw/zinc/01/07/68/924010768.db2.gz APLMOFXIZGWLCZ-MCIONIFRSA-N 2 1 296.415 -0.164 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553511680 924019532 /nfs/dbraw/zinc/01/95/32/924019532.db2.gz DJPCUFIVPWYOJE-VIFPVBQESA-N 2 1 292.330 -0.352 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001557000651 924100630 /nfs/dbraw/zinc/10/06/30/924100630.db2.gz BKEVNRCAAJTXCE-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001557000651 924100638 /nfs/dbraw/zinc/10/06/38/924100638.db2.gz BKEVNRCAAJTXCE-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001557000651 924100643 /nfs/dbraw/zinc/10/06/43/924100643.db2.gz BKEVNRCAAJTXCE-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001557000651 924100649 /nfs/dbraw/zinc/10/06/49/924100649.db2.gz BKEVNRCAAJTXCE-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNc2nccnc2C[NH3+])C1 ZINC001559090174 924212357 /nfs/dbraw/zinc/21/23/57/924212357.db2.gz OFDMIYUUDIVSJZ-LLVKDONJSA-N 2 1 292.387 -0.065 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)c1c[nH+]ccc1N ZINC000127644655 187322154 /nfs/dbraw/zinc/32/21/54/187322154.db2.gz NQMZPQGPZUWSFY-UHFFFAOYSA-N 2 1 252.318 -0.028 20 0 CBADMP C[NH+](C)CCOC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000345648350 282106385 /nfs/dbraw/zinc/10/63/85/282106385.db2.gz XFWLOZYLRHLTEJ-AWEZNQCLSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+](C)CCOC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000345648350 282106386 /nfs/dbraw/zinc/10/63/86/282106386.db2.gz XFWLOZYLRHLTEJ-AWEZNQCLSA-N 2 1 299.415 -0.114 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2OCCO2)CC1 ZINC000124698821 187149502 /nfs/dbraw/zinc/14/95/02/187149502.db2.gz KEWYPMSJBFRORF-ZDUSSCGKSA-N 2 1 297.399 -0.012 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2OCCO2)CC1 ZINC000124698821 187149503 /nfs/dbraw/zinc/14/95/03/187149503.db2.gz KEWYPMSJBFRORF-ZDUSSCGKSA-N 2 1 297.399 -0.012 20 0 CBADMP CC[C@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+](C)C ZINC000125184210 187173571 /nfs/dbraw/zinc/17/35/71/187173571.db2.gz JOQZPKMAQMQGIA-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NCC[NH+]1CCC1 ZINC000337734098 214238697 /nfs/dbraw/zinc/23/86/97/214238697.db2.gz ZJPDXZHXJKXCDM-UHFFFAOYSA-N 2 1 258.366 -0.431 20 0 CBADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000113514967 282135855 /nfs/dbraw/zinc/13/58/55/282135855.db2.gz BZAMHAMCSYIUDT-ZIAGYGMSSA-N 2 1 271.405 -0.437 20 0 CBADMP CC[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000378208730 529441168 /nfs/dbraw/zinc/44/11/68/529441168.db2.gz WOWSXFIWWAOEPJ-KBPBESRZSA-N 2 1 298.431 -0.411 20 0 CBADMP CC[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000378208730 529441170 /nfs/dbraw/zinc/44/11/70/529441170.db2.gz WOWSXFIWWAOEPJ-KBPBESRZSA-N 2 1 298.431 -0.411 20 0 CBADMP CC[C@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000378208731 529441703 /nfs/dbraw/zinc/44/17/03/529441703.db2.gz WOWSXFIWWAOEPJ-KGLIPLIRSA-N 2 1 298.431 -0.411 20 0 CBADMP CC[C@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000378208731 529441706 /nfs/dbraw/zinc/44/17/06/529441706.db2.gz WOWSXFIWWAOEPJ-KGLIPLIRSA-N 2 1 298.431 -0.411 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343995316 293177414 /nfs/dbraw/zinc/17/74/14/293177414.db2.gz YPAAMQCFTRONAG-RBSFLKMASA-N 2 1 285.432 -0.049 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351491306 219104027 /nfs/dbraw/zinc/10/40/27/219104027.db2.gz JLPCZEDXQUZECD-DCAQKATOSA-N 2 1 261.391 -0.405 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351491306 219104029 /nfs/dbraw/zinc/10/40/29/219104029.db2.gz JLPCZEDXQUZECD-DCAQKATOSA-N 2 1 261.391 -0.405 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351491297 219104693 /nfs/dbraw/zinc/10/46/93/219104693.db2.gz JLPCZEDXQUZECD-AXFHLTTASA-N 2 1 261.391 -0.405 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351491297 219104694 /nfs/dbraw/zinc/10/46/94/219104694.db2.gz JLPCZEDXQUZECD-AXFHLTTASA-N 2 1 261.391 -0.405 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351517516 219113162 /nfs/dbraw/zinc/11/31/62/219113162.db2.gz ANKZBBJJYHTVMN-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000351516538 219112129 /nfs/dbraw/zinc/11/21/29/219112129.db2.gz GHDQHTHIOBVDHA-NWDGAFQWSA-N 2 1 280.372 -0.839 20 0 CBADMP CNC(=O)CC[NH+](C)CCC[N@H+](C)CCC(=O)NC ZINC000172654532 529856641 /nfs/dbraw/zinc/85/66/41/529856641.db2.gz BNIJPDVKHQFXEC-UHFFFAOYSA-N 2 1 272.393 -0.488 20 0 CBADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000351541900 219120525 /nfs/dbraw/zinc/12/05/25/219120525.db2.gz QKLNJFWREIXDCU-QWHCGFSZSA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351541027 219121159 /nfs/dbraw/zinc/12/11/59/219121159.db2.gz PBYZKGLSQSIKKZ-WDEREUQCSA-N 2 1 268.361 -0.983 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351541027 219121162 /nfs/dbraw/zinc/12/11/62/219121162.db2.gz PBYZKGLSQSIKKZ-WDEREUQCSA-N 2 1 268.361 -0.983 20 0 CBADMP CC[N@@H+](CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000351555306 219124943 /nfs/dbraw/zinc/12/49/43/219124943.db2.gz LHKGBHSUMWETMS-GFCCVEGCSA-N 2 1 282.388 -0.545 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)CC1 ZINC000377659240 530066969 /nfs/dbraw/zinc/06/69/69/530066969.db2.gz ZREKQRFCVJPWIF-CHWSQXEVSA-N 2 1 294.399 -0.782 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)CC1 ZINC000377659240 530066970 /nfs/dbraw/zinc/06/69/70/530066970.db2.gz ZREKQRFCVJPWIF-CHWSQXEVSA-N 2 1 294.399 -0.782 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1(C(N)=O)CCCC1 ZINC000351420852 282398021 /nfs/dbraw/zinc/39/80/21/282398021.db2.gz SOMDZOOPXUGNTP-UHFFFAOYSA-N 2 1 296.415 -0.120 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1(C(N)=O)CCCC1 ZINC000351420852 282398023 /nfs/dbraw/zinc/39/80/23/282398023.db2.gz SOMDZOOPXUGNTP-UHFFFAOYSA-N 2 1 296.415 -0.120 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000351851295 219224661 /nfs/dbraw/zinc/22/46/61/219224661.db2.gz LHZJBARXDWJEAM-DYEKYZERSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351863413 219229894 /nfs/dbraw/zinc/22/98/94/219229894.db2.gz TWTCJNDRCDMQLR-QJPTWQEYSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351863413 219229897 /nfs/dbraw/zinc/22/98/97/219229897.db2.gz TWTCJNDRCDMQLR-QJPTWQEYSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC000351878502 219235219 /nfs/dbraw/zinc/23/52/19/219235219.db2.gz PHSSAYALIUKZTF-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC000351878502 219235221 /nfs/dbraw/zinc/23/52/21/219235221.db2.gz PHSSAYALIUKZTF-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000351878502 219235223 /nfs/dbraw/zinc/23/52/23/219235223.db2.gz PHSSAYALIUKZTF-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000351878502 219235226 /nfs/dbraw/zinc/23/52/26/219235226.db2.gz PHSSAYALIUKZTF-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)CO ZINC000339627649 215275226 /nfs/dbraw/zinc/27/52/26/215275226.db2.gz NDTVWJCWAFGIDI-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)CO ZINC000339627649 215275229 /nfs/dbraw/zinc/27/52/29/215275229.db2.gz NDTVWJCWAFGIDI-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091549061 180188273 /nfs/dbraw/zinc/18/82/73/180188273.db2.gz VUWQCCQOASCCPT-QWHCGFSZSA-N 2 1 268.405 -0.133 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000352095854 219318994 /nfs/dbraw/zinc/31/89/94/219318994.db2.gz BQYQGGGAOCEKIN-ZDUSSCGKSA-N 2 1 286.420 -0.066 20 0 CBADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(=O)n(C)c1=O ZINC000109131667 186243775 /nfs/dbraw/zinc/24/37/75/186243775.db2.gz WJHLHLKLAVLUHW-CHWSQXEVSA-N 2 1 292.383 -0.200 20 0 CBADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(=O)n(C)c1=O ZINC000109131667 186243776 /nfs/dbraw/zinc/24/37/76/186243776.db2.gz WJHLHLKLAVLUHW-CHWSQXEVSA-N 2 1 292.383 -0.200 20 0 CBADMP O=C(C[N@@H+](CCO)CCCO)NC1CC[NH+](C2CC2)CC1 ZINC000109799336 186273747 /nfs/dbraw/zinc/27/37/47/186273747.db2.gz SYYJDTFXVUNCAA-UHFFFAOYSA-N 2 1 299.415 -0.594 20 0 CBADMP O=C(C[N@H+](CCO)CCCO)NC1CC[NH+](C2CC2)CC1 ZINC000109799336 186273748 /nfs/dbraw/zinc/27/37/48/186273748.db2.gz SYYJDTFXVUNCAA-UHFFFAOYSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000043499906 351441664 /nfs/dbraw/zinc/44/16/64/351441664.db2.gz KSRRKJMPEUUEGB-RYUDHWBXSA-N 2 1 254.378 -0.523 20 0 CBADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000040622292 351416712 /nfs/dbraw/zinc/41/67/12/351416712.db2.gz QHNBHHZJPQNCMB-GFCCVEGCSA-N 2 1 294.399 -0.096 20 0 CBADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000040622292 351416717 /nfs/dbraw/zinc/41/67/17/351416717.db2.gz QHNBHHZJPQNCMB-GFCCVEGCSA-N 2 1 294.399 -0.096 20 0 CBADMP CCNC(=O)C[N@@H+](CC)CCC(=O)N1CC[NH2+]CC1 ZINC000053298854 351526175 /nfs/dbraw/zinc/52/61/75/351526175.db2.gz CFKDPYJRZAWJFP-UHFFFAOYSA-N 2 1 270.377 -0.734 20 0 CBADMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298907 351526711 /nfs/dbraw/zinc/52/67/11/351526711.db2.gz ZIUUGTDGOHTEBA-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP CNC(=O)[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298881 351526833 /nfs/dbraw/zinc/52/68/33/351526833.db2.gz BJOBPSZDTRWWRU-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298902 351526856 /nfs/dbraw/zinc/52/68/56/351526856.db2.gz ZIUUGTDGOHTEBA-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP Cn1nccc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178295 351580227 /nfs/dbraw/zinc/58/02/27/351580227.db2.gz UWRLNRRQLLROQA-NSHDSACASA-N 2 1 265.361 -0.293 20 0 CBADMP CN(C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)C1CC1 ZINC000063179963 351580422 /nfs/dbraw/zinc/58/04/22/351580422.db2.gz UNJJBPIHXGCVOZ-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000063179689 351580445 /nfs/dbraw/zinc/58/04/45/351580445.db2.gz XJGMQKISMZVZSU-GFCCVEGCSA-N 2 1 282.388 -0.604 20 0 CBADMP COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179997 351580478 /nfs/dbraw/zinc/58/04/78/351580478.db2.gz IUMGGWIAVSEIEC-ZJUUUORDSA-N 2 1 257.334 -0.665 20 0 CBADMP COC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179997 351580482 /nfs/dbraw/zinc/58/04/82/351580482.db2.gz IUMGGWIAVSEIEC-ZJUUUORDSA-N 2 1 257.334 -0.665 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000063179606 351580502 /nfs/dbraw/zinc/58/05/02/351580502.db2.gz WCGRJMWFPSWPDN-ZDUSSCGKSA-N 2 1 296.415 -0.214 20 0 CBADMP CCCNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179817 351580516 /nfs/dbraw/zinc/58/05/16/351580516.db2.gz QACHKDIYNMVDDM-NSHDSACASA-N 2 1 270.377 -0.701 20 0 CBADMP Cn1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000063178723 351580702 /nfs/dbraw/zinc/58/07/02/351580702.db2.gz CKWFPKDBUZVZQH-LBPRGKRZSA-N 2 1 265.361 -0.293 20 0 CBADMP CCCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179955 351580730 /nfs/dbraw/zinc/58/07/30/351580730.db2.gz ARATVQHRKKLBRA-GFCCVEGCSA-N 2 1 284.404 -0.310 20 0 CBADMP Cc1noc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000063180252 351580742 /nfs/dbraw/zinc/58/07/42/351580742.db2.gz YVONUDAYBNHQMN-SNVBAGLBSA-N 2 1 267.333 -0.335 20 0 CBADMP Cc1noc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000063180252 351580743 /nfs/dbraw/zinc/58/07/43/351580743.db2.gz YVONUDAYBNHQMN-SNVBAGLBSA-N 2 1 267.333 -0.335 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000063178674 351580747 /nfs/dbraw/zinc/58/07/47/351580747.db2.gz QPJRDUBVFDGROF-NWDGAFQWSA-N 2 1 255.362 -0.190 20 0 CBADMP COC(=O)CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179786 351580772 /nfs/dbraw/zinc/58/07/72/351580772.db2.gz UQUBMIDJEJPCKM-LLVKDONJSA-N 2 1 271.361 -0.274 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000070174281 351635579 /nfs/dbraw/zinc/63/55/79/351635579.db2.gz OBHHBEBJZUBDEU-GXTWGEPZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000070174281 351635580 /nfs/dbraw/zinc/63/55/80/351635580.db2.gz OBHHBEBJZUBDEU-GXTWGEPZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000070174643 351635857 /nfs/dbraw/zinc/63/58/57/351635857.db2.gz AIFNRFYWCUKROI-QWRGUYRKSA-N 2 1 280.372 -0.357 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000070174643 351635859 /nfs/dbraw/zinc/63/58/59/351635859.db2.gz AIFNRFYWCUKROI-QWRGUYRKSA-N 2 1 280.372 -0.357 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000071875876 351643926 /nfs/dbraw/zinc/64/39/26/351643926.db2.gz GVYPSDAQKKRKCE-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000071875876 351643929 /nfs/dbraw/zinc/64/39/29/351643929.db2.gz GVYPSDAQKKRKCE-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CCCOC)C1 ZINC000073991213 351657364 /nfs/dbraw/zinc/65/73/64/351657364.db2.gz MDZNVDXAGDECRI-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CCCOC)C1 ZINC000073991213 351657372 /nfs/dbraw/zinc/65/73/72/351657372.db2.gz MDZNVDXAGDECRI-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)CCCOC)C1 ZINC000073991213 351657379 /nfs/dbraw/zinc/65/73/79/351657379.db2.gz MDZNVDXAGDECRI-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)CCCOC)C1 ZINC000073991213 351657383 /nfs/dbraw/zinc/65/73/83/351657383.db2.gz MDZNVDXAGDECRI-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068807759 351621965 /nfs/dbraw/zinc/62/19/65/351621965.db2.gz YYEKGFDHKNOFEC-NEPJUHHUSA-N 2 1 256.394 -0.278 20 0 CBADMP C[C@]1(C(=O)NCCC[NH+]2CCOCC2)CCC[NH2+]1 ZINC000079511619 351693320 /nfs/dbraw/zinc/69/33/20/351693320.db2.gz XMPXFXVFTSAFOJ-CYBMUJFWSA-N 2 1 255.362 -0.033 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081347666 351705359 /nfs/dbraw/zinc/70/53/59/351705359.db2.gz AICCVBPBAOMECM-LBPRGKRZSA-N 2 1 255.362 -0.129 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081347666 351705362 /nfs/dbraw/zinc/70/53/62/351705362.db2.gz AICCVBPBAOMECM-LBPRGKRZSA-N 2 1 255.362 -0.129 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C[NH3+])C(C)C)CC1 ZINC000087518732 351721720 /nfs/dbraw/zinc/72/17/20/351721720.db2.gz FOFGXECKXRMTEE-GFCCVEGCSA-N 2 1 284.404 -0.456 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](C2CC2)CC1 ZINC000091301482 351743974 /nfs/dbraw/zinc/74/39/74/351743974.db2.gz RFUNRDCLSSGKPP-GFCCVEGCSA-N 2 1 253.346 -0.329 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CC[NH2+]C1 ZINC000091668373 351745881 /nfs/dbraw/zinc/74/58/81/351745881.db2.gz PGUDULZDOMHXST-IJLUTSLNSA-N 2 1 253.346 -0.425 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000096683558 351775749 /nfs/dbraw/zinc/77/57/49/351775749.db2.gz OUNSSOAQPCAZTG-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP COCC[N@H+](C)CCCNC(=O)CN1CC[NH+](C)CC1 ZINC000111565578 351802601 /nfs/dbraw/zinc/80/26/01/351802601.db2.gz VMHGHHSXZRNWJG-UHFFFAOYSA-N 2 1 286.420 -0.682 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)CN1CC[NH+](C)CC1 ZINC000111565578 351802604 /nfs/dbraw/zinc/80/26/04/351802604.db2.gz VMHGHHSXZRNWJG-UHFFFAOYSA-N 2 1 286.420 -0.682 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000111695972 351806222 /nfs/dbraw/zinc/80/62/22/351806222.db2.gz JSIAINWEHOGGSB-NWDGAFQWSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000111695972 351806225 /nfs/dbraw/zinc/80/62/25/351806225.db2.gz JSIAINWEHOGGSB-NWDGAFQWSA-N 2 1 255.362 -0.096 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000130516632 351880802 /nfs/dbraw/zinc/88/08/02/351880802.db2.gz HSFCPWGVYLBHAK-UPJWGTAASA-N 2 1 283.372 -0.656 20 0 CBADMP O=C1CNC(=O)N1CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150803414 351932099 /nfs/dbraw/zinc/93/20/99/351932099.db2.gz RORKHLVEIYDJFT-GFCCVEGCSA-N 2 1 280.372 -0.044 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150803414 351932101 /nfs/dbraw/zinc/93/21/01/351932101.db2.gz RORKHLVEIYDJFT-GFCCVEGCSA-N 2 1 280.372 -0.044 20 0 CBADMP C[NH+](C)CCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000133718322 351901366 /nfs/dbraw/zinc/90/13/66/351901366.db2.gz LKFPIBSLRYHTCW-LBPRGKRZSA-N 2 1 299.419 -0.565 20 0 CBADMP CN(CC(=O)N1CCN(CCO)CC1)[C@@H]1CCSC1 ZINC000154195411 351946187 /nfs/dbraw/zinc/94/61/87/351946187.db2.gz UPJKLKSJTZBVNS-GFCCVEGCSA-N 2 1 287.429 -0.440 20 0 CBADMP C[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000154286941 351946363 /nfs/dbraw/zinc/94/63/63/351946363.db2.gz XMUKRFXUWQWPDD-TXEJJXNPSA-N 2 1 255.362 -0.130 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000157556621 351956081 /nfs/dbraw/zinc/95/60/81/351956081.db2.gz GEPKTJBGXZSCEK-WDEREUQCSA-N 2 1 268.361 -0.901 20 0 CBADMP O=C(CN1CC[NH2+]CC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157780689 351957879 /nfs/dbraw/zinc/95/78/79/351957879.db2.gz XLLBQCFHNUCMPU-QWHCGFSZSA-N 2 1 266.389 -0.365 20 0 CBADMP C[C@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2)CC[N@H+]1C ZINC000157865779 351957963 /nfs/dbraw/zinc/95/79/63/351957963.db2.gz MJNZLYDSRLQMPA-NWDGAFQWSA-N 2 1 254.378 -0.510 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCOCC2)CC[N@H+]1C ZINC000158249691 351958915 /nfs/dbraw/zinc/95/89/15/351958915.db2.gz ZWPSUAYSIDXIRF-RDBSUJKOSA-N 2 1 271.405 -0.248 20 0 CBADMP CNC(=O)NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158928280 351959763 /nfs/dbraw/zinc/95/97/63/351959763.db2.gz DAPXHFRXJRTXPP-GHMZBOCLSA-N 2 1 268.361 -0.142 20 0 CBADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000164810197 351984784 /nfs/dbraw/zinc/98/47/84/351984784.db2.gz NLJMYTCCIUDHNN-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000164810197 351984788 /nfs/dbraw/zinc/98/47/88/351984788.db2.gz NLJMYTCCIUDHNN-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP COCC[N@H+](C)CCCNC(=O)[C@H]1CSC[NH2+]1 ZINC000165307975 351985894 /nfs/dbraw/zinc/98/58/94/351985894.db2.gz UVVRAFNAARLBNX-SNVBAGLBSA-N 2 1 261.391 -0.267 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1CSC[NH2+]1 ZINC000165307975 351985898 /nfs/dbraw/zinc/98/58/98/351985898.db2.gz UVVRAFNAARLBNX-SNVBAGLBSA-N 2 1 261.391 -0.267 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000166597673 351987605 /nfs/dbraw/zinc/98/76/05/351987605.db2.gz SBLUMHWRFCWLSO-VXGBXAGGSA-N 2 1 257.378 -0.074 20 0 CBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000168939665 351995820 /nfs/dbraw/zinc/99/58/20/351995820.db2.gz RCTMLYYVXFODFL-CHWSQXEVSA-N 2 1 285.388 -0.408 20 0 CBADMP CN(C)c1nc(N2CCN(C(=O)C[NH3+])CC2)cc[nH+]1 ZINC000169232326 351996570 /nfs/dbraw/zinc/99/65/70/351996570.db2.gz ZOGVQCMSCMXPIE-UHFFFAOYSA-N 2 1 264.333 -0.850 20 0 CBADMP CNC(=O)CC[NH+](C)C/C=C/C[N@H+](C)CCC(=O)NC ZINC000170781937 352001656 /nfs/dbraw/zinc/00/16/56/352001656.db2.gz BMFXYVFZKQXJTP-AATRIKPKSA-N 2 1 284.404 -0.322 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCCN2CC[NH+](C)CC2)C1=O ZINC000174713005 352049919 /nfs/dbraw/zinc/04/99/19/352049919.db2.gz PDCIQRKBMDEDPM-ZDUSSCGKSA-N 2 1 268.405 -0.214 20 0 CBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000172775362 352031491 /nfs/dbraw/zinc/03/14/91/352031491.db2.gz NPULZTVKUVVVIF-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000172775362 352031495 /nfs/dbraw/zinc/03/14/95/352031495.db2.gz NPULZTVKUVVVIF-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000172775362 352031500 /nfs/dbraw/zinc/03/15/00/352031500.db2.gz NPULZTVKUVVVIF-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000172775362 352031504 /nfs/dbraw/zinc/03/15/04/352031504.db2.gz NPULZTVKUVVVIF-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CC(C)([NH3+])CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186666226 352129896 /nfs/dbraw/zinc/12/98/96/352129896.db2.gz ZDIAOLZLVZRIPJ-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP O=C([C@@H]1CC[NH2+]C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186682621 352130154 /nfs/dbraw/zinc/13/01/54/352130154.db2.gz KZJXAPVZKPHGMQ-NEPJUHHUSA-N 2 1 280.372 -0.981 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)CC2CC[NH2+]CC2)CC1 ZINC000178700233 352081134 /nfs/dbraw/zinc/08/11/34/352081134.db2.gz UAAUKFSIAMNGCL-UHFFFAOYSA-N 2 1 296.415 -0.344 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000178700370 352081909 /nfs/dbraw/zinc/08/19/09/352081909.db2.gz ACZRCJJZPVNMQK-LLVKDONJSA-N 2 1 270.377 -0.878 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000178759130 352083768 /nfs/dbraw/zinc/08/37/68/352083768.db2.gz DNHAQCFRFNXXFG-ZDUSSCGKSA-N 2 1 268.405 -0.118 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C[N@H+]1C1CC1 ZINC000178867391 352084306 /nfs/dbraw/zinc/08/43/06/352084306.db2.gz NQPLSGXMZDNHIN-FOGDFJRCSA-N 2 1 253.346 -0.284 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000178877591 352084445 /nfs/dbraw/zinc/08/44/45/352084445.db2.gz RQMNTPSSCKZQRK-KGLIPLIRSA-N 2 1 282.432 -0.014 20 0 CBADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000178849536 352084626 /nfs/dbraw/zinc/08/46/26/352084626.db2.gz ZGNBNTRXAVOMGB-AWEZNQCLSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CN2CCN1CC2)[NH+]1CCSCC1 ZINC000179185786 352088380 /nfs/dbraw/zinc/08/83/80/352088380.db2.gz AAFVMXAEPCVOPN-CHWSQXEVSA-N 2 1 298.456 -0.460 20 0 CBADMP OC[C@H]1CCCN1CC(O)C[N@H+]1CCC[C@@H]1CO ZINC000181799942 352101308 /nfs/dbraw/zinc/10/13/08/352101308.db2.gz XMRVUDHHSQONKS-VXGBXAGGSA-N 2 1 258.362 -0.739 20 0 CBADMP OC[C@H]1CCC[NH+]1CC(O)C[N@H+]1CCC[C@@H]1CO ZINC000181799942 352101309 /nfs/dbraw/zinc/10/13/09/352101309.db2.gz XMRVUDHHSQONKS-VXGBXAGGSA-N 2 1 258.362 -0.739 20 0 CBADMP OC[C@H]1CCC[NH+]1CC(O)C[N@@H+]1CCC[C@@H]1CO ZINC000181799942 352101312 /nfs/dbraw/zinc/10/13/12/352101312.db2.gz XMRVUDHHSQONKS-VXGBXAGGSA-N 2 1 258.362 -0.739 20 0 CBADMP C[C@@]1(O)CC[NH+](CC2(C[N@@H+]3CC[C@@](C)(O)C3)COC2)C1 ZINC000182214101 352102897 /nfs/dbraw/zinc/10/28/97/352102897.db2.gz RJIAMSJNFSXZBK-ZIAGYGMSSA-N 2 1 284.400 -0.084 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C[NH+]1CCOCC1 ZINC000188748870 352158443 /nfs/dbraw/zinc/15/84/43/352158443.db2.gz OXWGSJZEVYGCOB-GRYCIOLGSA-N 2 1 273.352 -0.229 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)C1 ZINC000187950693 352143875 /nfs/dbraw/zinc/14/38/75/352143875.db2.gz NSCGHKUNNXPGCU-FVCCEPFGSA-N 2 1 285.388 -0.723 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)C1 ZINC000187950693 352143878 /nfs/dbraw/zinc/14/38/78/352143878.db2.gz NSCGHKUNNXPGCU-FVCCEPFGSA-N 2 1 285.388 -0.723 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@H+]1C[C@@H](C)O ZINC000188187626 352148728 /nfs/dbraw/zinc/14/87/28/352148728.db2.gz ZQDIGYUFGXQDJA-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000219036627 352236619 /nfs/dbraw/zinc/23/66/19/352236619.db2.gz MVVNNVWHWDWDTF-GWCFXTLKSA-N 2 1 284.404 -0.315 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000221101681 352240282 /nfs/dbraw/zinc/24/02/82/352240282.db2.gz OKFRROWKIOTOHO-GARJFASQSA-N 2 1 263.407 -0.146 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000221101681 352240285 /nfs/dbraw/zinc/24/02/85/352240285.db2.gz OKFRROWKIOTOHO-GARJFASQSA-N 2 1 263.407 -0.146 20 0 CBADMP C[C@@H]1C[NH+](CC(O)C[N@@H+]2C[C@@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000194837849 352218885 /nfs/dbraw/zinc/21/88/85/352218885.db2.gz ZEBUUJBDTNNDNR-MQYQWHSLSA-N 2 1 286.416 -0.532 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000227369289 352257420 /nfs/dbraw/zinc/25/74/20/352257420.db2.gz XPXUQVWDLKWXCP-LLVKDONJSA-N 2 1 259.350 -0.859 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000227373496 352257561 /nfs/dbraw/zinc/25/75/61/352257561.db2.gz XFTWGCZRGYWHIY-CHWSQXEVSA-N 2 1 286.420 -0.652 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000227555081 352258281 /nfs/dbraw/zinc/25/82/81/352258281.db2.gz WSLCLIAHWUGMMX-NEPJUHHUSA-N 2 1 286.445 -0.557 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000228477334 352262370 /nfs/dbraw/zinc/26/23/70/352262370.db2.gz KGDFGEQGPIRMFC-GMTAPVOTSA-N 2 1 266.345 -0.403 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000230993197 352275100 /nfs/dbraw/zinc/27/51/00/352275100.db2.gz WAOUFUBRRHESBC-GHMZBOCLSA-N 2 1 263.407 -0.050 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000230993197 352275104 /nfs/dbraw/zinc/27/51/04/352275104.db2.gz WAOUFUBRRHESBC-GHMZBOCLSA-N 2 1 263.407 -0.050 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)[C@H]1C[NH2+]CCO1 ZINC000226390244 352252104 /nfs/dbraw/zinc/25/21/04/352252104.db2.gz YYAAHJMWIFUKDZ-SNVBAGLBSA-N 2 1 259.375 -0.860 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000232117031 352279551 /nfs/dbraw/zinc/27/95/51/352279551.db2.gz KPWKGRQBDVJONE-LBPRGKRZSA-N 2 1 273.377 -0.469 20 0 CBADMP COCC1(C(=O)N2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000234639860 352283475 /nfs/dbraw/zinc/28/34/75/352283475.db2.gz ULNUQOGTEQQSBE-UHFFFAOYSA-N 2 1 255.362 -0.223 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000236845746 352294811 /nfs/dbraw/zinc/29/48/11/352294811.db2.gz LYRGUNUVEZQXHV-ZDUSSCGKSA-N 2 1 296.415 -0.155 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000236874614 352294880 /nfs/dbraw/zinc/29/48/80/352294880.db2.gz UCIMPANYHRMFTJ-ZDUSSCGKSA-N 2 1 268.405 -0.133 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000236874697 352295034 /nfs/dbraw/zinc/29/50/34/352295034.db2.gz KGCQUUHVGOLQCU-CYBMUJFWSA-N 2 1 268.405 -0.118 20 0 CBADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000236936553 352297127 /nfs/dbraw/zinc/29/71/27/352297127.db2.gz QIQHHNBRDVROKS-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000237122939 352299401 /nfs/dbraw/zinc/29/94/01/352299401.db2.gz IARTVTQSAYXDCF-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000237122939 352299404 /nfs/dbraw/zinc/29/94/04/352299404.db2.gz IARTVTQSAYXDCF-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000237670962 352308394 /nfs/dbraw/zinc/30/83/94/352308394.db2.gz NSVOZJONNRLVKW-XQQFMLRXSA-N 2 1 285.388 -0.410 20 0 CBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000237655756 352308577 /nfs/dbraw/zinc/30/85/77/352308577.db2.gz CBGTZIZJTKYZAC-XQQFMLRXSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000237655756 352308580 /nfs/dbraw/zinc/30/85/80/352308580.db2.gz CBGTZIZJTKYZAC-XQQFMLRXSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@]1(O)CC[NH+](CC2(C[N@@H+]3CC[C@](C)(O)C3)COC2)C1 ZINC000248434951 352351641 /nfs/dbraw/zinc/35/16/41/352351641.db2.gz RJIAMSJNFSXZBK-KBPBESRZSA-N 2 1 284.400 -0.084 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246105281 352328105 /nfs/dbraw/zinc/32/81/05/352328105.db2.gz HTNXTOMCUIUVHQ-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000246264140 352330272 /nfs/dbraw/zinc/33/02/72/352330272.db2.gz LHZALZKEIHCTDT-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000246264140 352330273 /nfs/dbraw/zinc/33/02/73/352330273.db2.gz LHZALZKEIHCTDT-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CSCN2)C[C@H]1C ZINC000246501546 352334060 /nfs/dbraw/zinc/33/40/60/352334060.db2.gz PWHCTPYAFKEBOY-OUAUKWLOSA-N 2 1 273.402 -0.438 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]C)C2)C1 ZINC000247127248 352344155 /nfs/dbraw/zinc/34/41/55/352344155.db2.gz NHJSGPICILNFLF-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]C)C2)C1 ZINC000247127248 352344157 /nfs/dbraw/zinc/34/41/57/352344157.db2.gz NHJSGPICILNFLF-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261592104 352390109 /nfs/dbraw/zinc/39/01/09/352390109.db2.gz YFLHFYQTLLHWNG-GFCCVEGCSA-N 2 1 254.334 -0.483 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(=O)n(C)c1=O ZINC000261663086 352393201 /nfs/dbraw/zinc/39/32/01/352393201.db2.gz IKDNLHIXYVDAKX-CYBMUJFWSA-N 2 1 266.345 -0.745 20 0 CBADMP NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261762639 352395405 /nfs/dbraw/zinc/39/54/05/352395405.db2.gz DAZXXJHWJJBFMW-MNOVXSKESA-N 2 1 261.391 -0.261 20 0 CBADMP NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261762639 352395409 /nfs/dbraw/zinc/39/54/09/352395409.db2.gz DAZXXJHWJJBFMW-MNOVXSKESA-N 2 1 261.391 -0.261 20 0 CBADMP CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000261822291 352397174 /nfs/dbraw/zinc/39/71/74/352397174.db2.gz UQBXWGBDJHWXMN-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CCN(CC)C(=O)C[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000261822291 352397178 /nfs/dbraw/zinc/39/71/78/352397178.db2.gz UQBXWGBDJHWXMN-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261801155 352397931 /nfs/dbraw/zinc/39/79/31/352397931.db2.gz OCUIXNRJHGKCRJ-TUAOUCFPSA-N 2 1 271.361 -0.670 20 0 CBADMP CC[C@H]1CN(C(=O)C2C[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000262224681 352411210 /nfs/dbraw/zinc/41/12/10/352411210.db2.gz KZPUFBGSODBNGZ-JQWIXIFHSA-N 2 1 255.362 -0.491 20 0 CBADMP Cn1cc(C[N@@H+]2CCCN(C(=O)C3C[NH2+]C3)CC2)cn1 ZINC000262218536 352411394 /nfs/dbraw/zinc/41/13/94/352411394.db2.gz KACSFEIKROKEEL-UHFFFAOYSA-N 2 1 277.372 -0.326 20 0 CBADMP Cn1cc(C[N@H+]2CCCN(C(=O)C3C[NH2+]C3)CC2)cn1 ZINC000262218536 352411398 /nfs/dbraw/zinc/41/13/98/352411398.db2.gz KACSFEIKROKEEL-UHFFFAOYSA-N 2 1 277.372 -0.326 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@@H]1C ZINC000262328047 352416582 /nfs/dbraw/zinc/41/65/82/352416582.db2.gz GJERBDIPJRSTGH-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@H+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@@H]1C ZINC000262328047 352416583 /nfs/dbraw/zinc/41/65/83/352416583.db2.gz GJERBDIPJRSTGH-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)C[C@@H]1C ZINC000262338441 352416892 /nfs/dbraw/zinc/41/68/92/352416892.db2.gz HPXVUYOPFMJLFH-AVGNSLFASA-N 2 1 285.388 -0.722 20 0 CBADMP C[NH2+]CCC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000262365647 352418017 /nfs/dbraw/zinc/41/80/17/352418017.db2.gz KZMNQCKVQZPBNX-UHFFFAOYSA-N 2 1 270.421 -0.014 20 0 CBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CNC(=O)C[NH3+])C1 ZINC000262394616 352420144 /nfs/dbraw/zinc/42/01/44/352420144.db2.gz MTWBANOZRJQADL-NSHDSACASA-N 2 1 284.404 -0.312 20 0 CBADMP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@H]1COCC[NH2+]1 ZINC000262409641 352420252 /nfs/dbraw/zinc/42/02/52/352420252.db2.gz QMKYZRSPJKCYCK-ZIAGYGMSSA-N 2 1 275.352 -0.022 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH3+])CC1=O ZINC000262513895 352424560 /nfs/dbraw/zinc/42/45/60/352424560.db2.gz PYUHRPCJSCFOCJ-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000262520607 352424684 /nfs/dbraw/zinc/42/46/84/352424684.db2.gz YXYSMVYBQHWQRU-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000262520607 352424687 /nfs/dbraw/zinc/42/46/87/352424687.db2.gz YXYSMVYBQHWQRU-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000262570415 352426460 /nfs/dbraw/zinc/42/64/60/352426460.db2.gz GWOQBZVMSKCMHG-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000262570415 352426463 /nfs/dbraw/zinc/42/64/63/352426463.db2.gz GWOQBZVMSKCMHG-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H](CNC(=O)C[NH2+]CC1CC1)CN1CC[NH+](C)CC1 ZINC000262629338 352428383 /nfs/dbraw/zinc/42/83/83/352428383.db2.gz DDDHGKPYOVPIMQ-ZDUSSCGKSA-N 2 1 282.432 -0.014 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000262673749 352430056 /nfs/dbraw/zinc/43/00/56/352430056.db2.gz STIBYKFUQYAUFD-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000262765220 352433779 /nfs/dbraw/zinc/43/37/79/352433779.db2.gz KXVDVPWRMYFBNF-WOPDTQHZSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000262765220 352433781 /nfs/dbraw/zinc/43/37/81/352433781.db2.gz KXVDVPWRMYFBNF-WOPDTQHZSA-N 2 1 255.362 -0.179 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000262766266 352433970 /nfs/dbraw/zinc/43/39/70/352433970.db2.gz ATYZMCBEXLZTHS-RWMBFGLXSA-N 2 1 285.388 -0.471 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000262893908 352435879 /nfs/dbraw/zinc/43/58/79/352435879.db2.gz OVXPVWQAHQIBBX-STQMWFEESA-N 2 1 287.404 -0.177 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000263243388 352440484 /nfs/dbraw/zinc/44/04/84/352440484.db2.gz MAPQJQSOTCQVHF-MJVIPROJSA-N 2 1 296.415 -0.173 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000262052345 352405046 /nfs/dbraw/zinc/40/50/46/352405046.db2.gz QHLLQGWQNWLQAU-AWEZNQCLSA-N 2 1 278.356 -0.731 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@@H]1C ZINC000262059626 352405345 /nfs/dbraw/zinc/40/53/45/352405345.db2.gz RNYWHNXFGTXVJK-XQQFMLRXSA-N 2 1 285.388 -0.328 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@@H]1C ZINC000262059626 352405348 /nfs/dbraw/zinc/40/53/48/352405348.db2.gz RNYWHNXFGTXVJK-XQQFMLRXSA-N 2 1 285.388 -0.328 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)c1ccc(F)cc1 ZINC000269709680 352479184 /nfs/dbraw/zinc/47/91/84/352479184.db2.gz NSAAAUHAAGHVSE-NWDGAFQWSA-N 2 1 296.346 -0.253 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)c1cccc(F)c1 ZINC000269727799 352480250 /nfs/dbraw/zinc/48/02/50/352480250.db2.gz RMJCOYXWAKHCOQ-NWDGAFQWSA-N 2 1 296.346 -0.253 20 0 CBADMP C[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)[N@H+](C)Cc1ccccc1 ZINC000269742674 352480309 /nfs/dbraw/zinc/48/03/09/352480309.db2.gz WFIWKKPANGTRSS-YPMHNXCESA-N 2 1 292.383 -0.174 20 0 CBADMP C[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)[N@@H+](C)Cc1ccccc1 ZINC000269742674 352480311 /nfs/dbraw/zinc/48/03/11/352480311.db2.gz WFIWKKPANGTRSS-YPMHNXCESA-N 2 1 292.383 -0.174 20 0 CBADMP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000270561065 352495658 /nfs/dbraw/zinc/49/56/58/352495658.db2.gz XJHZRQJXZCAWQW-ZDUSSCGKSA-N 2 1 290.371 -0.200 20 0 CBADMP CC[N@@H+](CCO)CC(=O)NC1CC[NH+](CC)CC1 ZINC000303032198 352744329 /nfs/dbraw/zinc/74/43/29/352744329.db2.gz AOTUJRHXRNYOKS-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000310168022 352758127 /nfs/dbraw/zinc/75/81/27/352758127.db2.gz SHASFJHRMYKCOS-MNOVXSKESA-N 2 1 263.407 -0.192 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000310168022 352758131 /nfs/dbraw/zinc/75/81/31/352758131.db2.gz SHASFJHRMYKCOS-MNOVXSKESA-N 2 1 263.407 -0.192 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000310135257 352758166 /nfs/dbraw/zinc/75/81/66/352758166.db2.gz ITVCODWUYPNHHW-MNOVXSKESA-N 2 1 263.407 -0.063 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000310135257 352758168 /nfs/dbraw/zinc/75/81/68/352758168.db2.gz ITVCODWUYPNHHW-MNOVXSKESA-N 2 1 263.407 -0.063 20 0 CBADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000310168024 352758263 /nfs/dbraw/zinc/75/82/63/352758263.db2.gz SHASFJHRMYKCOS-WDEREUQCSA-N 2 1 263.407 -0.192 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000310168024 352758266 /nfs/dbraw/zinc/75/82/66/352758266.db2.gz SHASFJHRMYKCOS-WDEREUQCSA-N 2 1 263.407 -0.192 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310828230 352762308 /nfs/dbraw/zinc/76/23/08/352762308.db2.gz INSXTGVODNIIEW-AOOOYVTPSA-N 2 1 254.334 -0.627 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@](C)(O)C1 ZINC000310875488 352762830 /nfs/dbraw/zinc/76/28/30/352762830.db2.gz MRQJOSVDOBMDFE-OLZOCXBDSA-N 2 1 260.378 -0.228 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@](C)(O)C1 ZINC000310875488 352762834 /nfs/dbraw/zinc/76/28/34/352762834.db2.gz MRQJOSVDOBMDFE-OLZOCXBDSA-N 2 1 260.378 -0.228 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@](C)(O)C1 ZINC000310875488 352762838 /nfs/dbraw/zinc/76/28/38/352762838.db2.gz MRQJOSVDOBMDFE-OLZOCXBDSA-N 2 1 260.378 -0.228 20 0 CBADMP CC(C)[C@H]([NH3+])c1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000312162556 352774232 /nfs/dbraw/zinc/77/42/32/352774232.db2.gz SCHZSWALJQBBFU-ZDUSSCGKSA-N 2 1 280.376 -0.292 20 0 CBADMP COC(=O)[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000330428060 352822655 /nfs/dbraw/zinc/82/26/55/352822655.db2.gz JNEINMRSPDYJME-GFCCVEGCSA-N 2 1 283.372 -0.355 20 0 CBADMP COC(=O)[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000330428060 352822657 /nfs/dbraw/zinc/82/26/57/352822657.db2.gz JNEINMRSPDYJME-GFCCVEGCSA-N 2 1 283.372 -0.355 20 0 CBADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCCC[C@H]1O ZINC000328532908 352783833 /nfs/dbraw/zinc/78/38/33/352783833.db2.gz YPNMXLDKPBQFCD-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCC[C@H]1O ZINC000328532910 352783890 /nfs/dbraw/zinc/78/38/90/352783890.db2.gz YPNMXLDKPBQFCD-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)[NH2+]1 ZINC000331378226 352910356 /nfs/dbraw/zinc/91/03/56/352910356.db2.gz HUPIOECCTTXLPZ-UTUOFQBUSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000331411181 352912339 /nfs/dbraw/zinc/91/23/39/352912339.db2.gz RMJBHYPPFAPQHO-GVXVVHGQSA-N 2 1 294.399 -0.594 20 0 CBADMP O=C(NCCCN1CC[NH2+]CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000331483443 352918355 /nfs/dbraw/zinc/91/83/55/352918355.db2.gz IUAUINICXCYPJN-AWEZNQCLSA-N 2 1 295.431 -0.229 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000331479414 352918436 /nfs/dbraw/zinc/91/84/36/352918436.db2.gz LMSLBZWJNBYZKZ-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000331589498 352926114 /nfs/dbraw/zinc/92/61/14/352926114.db2.gz GMPYTXSWRJYKFJ-NWDGAFQWSA-N 2 1 280.372 -0.839 20 0 CBADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000332638948 352971603 /nfs/dbraw/zinc/97/16/03/352971603.db2.gz KYLZXTYENVFJSF-QWHCGFSZSA-N 2 1 294.399 -0.497 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC[NH2+]1 ZINC000332650724 352972731 /nfs/dbraw/zinc/97/27/31/352972731.db2.gz UKLIQOVLAVTZOR-UPJWGTAASA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332701598 352977485 /nfs/dbraw/zinc/97/74/85/352977485.db2.gz VSFNAQCJECGPOX-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332701598 352977487 /nfs/dbraw/zinc/97/74/87/352977487.db2.gz VSFNAQCJECGPOX-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332184616 352939099 /nfs/dbraw/zinc/93/90/99/352939099.db2.gz AMATUQYZNLVPST-OLZOCXBDSA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000332192150 352939349 /nfs/dbraw/zinc/93/93/49/352939349.db2.gz BAZGVWYZZPZZPD-VXGBXAGGSA-N 2 1 280.372 -0.887 20 0 CBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000332229512 352940564 /nfs/dbraw/zinc/94/05/64/352940564.db2.gz LSTXPURSNWXAEZ-XQQFMLRXSA-N 2 1 294.399 -0.369 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C[C@@H]1[NH3+] ZINC000332263763 352941426 /nfs/dbraw/zinc/94/14/26/352941426.db2.gz UCSLYROOHNFELN-VOAKCMCISA-N 2 1 294.399 -0.513 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC[NH2+]1 ZINC000332306604 352943157 /nfs/dbraw/zinc/94/31/57/352943157.db2.gz WKPIXBINSAVPQP-JHJVBQTASA-N 2 1 294.399 -0.641 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000332320815 352944183 /nfs/dbraw/zinc/94/41/83/352944183.db2.gz OSTIGPLNWMGJAN-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000332379108 352947184 /nfs/dbraw/zinc/94/71/84/352947184.db2.gz XLMKFHYKAIEWBS-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000332549180 352964644 /nfs/dbraw/zinc/96/46/44/352964644.db2.gz IKBBWAFGCNSWNR-FRRDWIJNSA-N 2 1 294.399 -0.321 20 0 CBADMP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332577640 352968129 /nfs/dbraw/zinc/96/81/29/352968129.db2.gz ADLJBUVWWGIKGP-STQMWFEESA-N 2 1 294.399 -0.367 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000333294655 352999970 /nfs/dbraw/zinc/99/99/70/352999970.db2.gz IDSAWHMVLODELS-NTZNESFSSA-N 2 1 282.388 -0.019 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333796692 353010863 /nfs/dbraw/zinc/01/08/63/353010863.db2.gz HBWICSILJOCBIZ-NEPJUHHUSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333796692 353010867 /nfs/dbraw/zinc/01/08/67/353010867.db2.gz HBWICSILJOCBIZ-NEPJUHHUSA-N 2 1 270.377 -0.554 20 0 CBADMP CC[N@@H+](CCNC(=O)N1CCOC2(C[NH2+]C2)C1)C1CC1 ZINC000333820092 353011805 /nfs/dbraw/zinc/01/18/05/353011805.db2.gz QZHNTMNAYYRHNY-UHFFFAOYSA-N 2 1 282.388 -0.146 20 0 CBADMP 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 353012530 /nfs/dbraw/zinc/01/25/30/353012530.db2.gz RVVHYBKWCYAFQR-KVSVUVNWSA-N 2 1 282.388 -0.699 20 0 CBADMP CN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1C[NH2+]C[C@@H]1O ZINC000333904443 353013433 /nfs/dbraw/zinc/01/34/33/353013433.db2.gz CGWSKOVXLTUKDX-VOAKCMCISA-N 2 1 282.388 -0.413 20 0 CBADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000336820189 353060290 /nfs/dbraw/zinc/06/02/90/353060290.db2.gz CAZLKVAURFUXKX-AWEZNQCLSA-N 2 1 282.388 -0.184 20 0 CBADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000336820189 353060293 /nfs/dbraw/zinc/06/02/93/353060293.db2.gz CAZLKVAURFUXKX-AWEZNQCLSA-N 2 1 282.388 -0.184 20 0 CBADMP CC[C@H](CO)[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336841977 353062964 /nfs/dbraw/zinc/06/29/64/353062964.db2.gz SYIPRLGMPPIRHZ-HIFRSBDPSA-N 2 1 285.432 -0.170 20 0 CBADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCN(C)CC2)CC1 ZINC000337128546 353076247 /nfs/dbraw/zinc/07/62/47/353076247.db2.gz IGKBJOJOINPFNO-UHFFFAOYSA-N 2 1 297.447 -0.031 20 0 CBADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336791263 353053269 /nfs/dbraw/zinc/05/32/69/353053269.db2.gz MYCAENDQWPEMDR-GFCCVEGCSA-N 2 1 252.318 -0.496 20 0 CBADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336791263 353053273 /nfs/dbraw/zinc/05/32/73/353053273.db2.gz MYCAENDQWPEMDR-GFCCVEGCSA-N 2 1 252.318 -0.496 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCC[N@@H+](C)C(C)C ZINC000336804626 353055718 /nfs/dbraw/zinc/05/57/18/353055718.db2.gz GYTBEAICIOZXJE-GFCCVEGCSA-N 2 1 272.393 -0.458 20 0 CBADMP CC(C)[C@@H](CNC(=O)C1([NH3+])CCOCC1)[NH+]1CCOCC1 ZINC000338155856 353086900 /nfs/dbraw/zinc/08/69/00/353086900.db2.gz MLDOWFVUROOIIR-CYBMUJFWSA-N 2 1 299.415 -0.033 20 0 CBADMP CC(C)[C@H](CNC(=O)C1([NH3+])CCOCC1)[NH+]1CCOCC1 ZINC000338155859 353087065 /nfs/dbraw/zinc/08/70/65/353087065.db2.gz MLDOWFVUROOIIR-ZDUSSCGKSA-N 2 1 299.415 -0.033 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCSC[C@H]2CO)CC1 ZINC000338287775 353093367 /nfs/dbraw/zinc/09/33/67/353093367.db2.gz NROUPBVHSHOVLQ-GFCCVEGCSA-N 2 1 287.429 -0.440 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCSC[C@H]2CO)CC1 ZINC000338287775 353093371 /nfs/dbraw/zinc/09/33/71/353093371.db2.gz NROUPBVHSHOVLQ-GFCCVEGCSA-N 2 1 287.429 -0.440 20 0 CBADMP CC[C@](C)([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(N)=O ZINC000338287922 353093419 /nfs/dbraw/zinc/09/34/19/353093419.db2.gz VFNGCWYEEPUXGH-ZDUSSCGKSA-N 2 1 270.377 -0.606 20 0 CBADMP Cn1cc([C@H](CO)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000338292837 353093491 /nfs/dbraw/zinc/09/34/91/353093491.db2.gz RREODNFQDXKCEQ-ZDUSSCGKSA-N 2 1 295.387 -0.793 20 0 CBADMP CC(C)[C@H](CO)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338292261 353093648 /nfs/dbraw/zinc/09/36/48/353093648.db2.gz RRRKVDICADLZET-LBPRGKRZSA-N 2 1 257.378 -0.243 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2CCO)CC1 ZINC000338312056 353095308 /nfs/dbraw/zinc/09/53/08/353095308.db2.gz AKDKZITXYGWZQQ-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2CCO)CC1 ZINC000338312056 353095312 /nfs/dbraw/zinc/09/53/12/353095312.db2.gz AKDKZITXYGWZQQ-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CO)[C@H]2CCCO2)CC1 ZINC000338341999 353097123 /nfs/dbraw/zinc/09/71/23/353097123.db2.gz DXQGQXIQEDVCHO-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@H](CO)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H](C)O ZINC000338357742 353097856 /nfs/dbraw/zinc/09/78/56/353097856.db2.gz LDEZOZZBFJWBSU-OLZOCXBDSA-N 2 1 287.404 -0.786 20 0 CBADMP C[C@H](CO)[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H](C)O ZINC000338357742 353097858 /nfs/dbraw/zinc/09/78/58/353097858.db2.gz LDEZOZZBFJWBSU-OLZOCXBDSA-N 2 1 287.404 -0.786 20 0 CBADMP CC[N@H+](CCOCCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338352759 353098033 /nfs/dbraw/zinc/09/80/33/353098033.db2.gz PYEXUHFGADAMLO-UHFFFAOYSA-N 2 1 287.404 -0.519 20 0 CBADMP CC[N@@H+](CCOCCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338352759 353098037 /nfs/dbraw/zinc/09/80/37/353098037.db2.gz PYEXUHFGADAMLO-UHFFFAOYSA-N 2 1 287.404 -0.519 20 0 CBADMP CNC(=O)[C@]1(C)CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338372012 353099768 /nfs/dbraw/zinc/09/97/68/353099768.db2.gz YMWAPZIUGAFTER-OAHLLOKOSA-N 2 1 296.415 -0.392 20 0 CBADMP CNC(=O)[C@]1(C)CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338372012 353099770 /nfs/dbraw/zinc/09/97/70/353099770.db2.gz YMWAPZIUGAFTER-OAHLLOKOSA-N 2 1 296.415 -0.392 20 0 CBADMP C[C@@H]1C[C@@H](O)C[NH+]1CCOCC[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000340922084 353193220 /nfs/dbraw/zinc/19/32/20/353193220.db2.gz XTDUTYLWJXQJEV-SYQHCUMBSA-N 2 1 272.389 -0.087 20 0 CBADMP C[C@@H]1C[C@H](O)C[NH+]1CCOCC[N@@H+]1C[C@H](O)C[C@H]1C ZINC000340922084 353193225 /nfs/dbraw/zinc/19/32/25/353193225.db2.gz XTDUTYLWJXQJEV-SYQHCUMBSA-N 2 1 272.389 -0.087 20 0 CBADMP C[C@@H]1C[C@H](O)C[NH+]1CCOCC[N@H+]1C[C@H](O)C[C@H]1C ZINC000340922084 353193226 /nfs/dbraw/zinc/19/32/26/353193226.db2.gz XTDUTYLWJXQJEV-SYQHCUMBSA-N 2 1 272.389 -0.087 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+](C)C)C1 ZINC000342661370 353226009 /nfs/dbraw/zinc/22/60/09/353226009.db2.gz IWFMTFVREFQUJZ-LLVKDONJSA-N 2 1 258.366 -0.432 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000342695929 353228358 /nfs/dbraw/zinc/22/83/58/353228358.db2.gz GXMHMZMXYLDZHK-GHMZBOCLSA-N 2 1 287.360 -0.896 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)[NH+](C)C1CC1 ZINC000343245343 353261635 /nfs/dbraw/zinc/26/16/35/353261635.db2.gz CCEPONGOZFKMCZ-TZMCWYRMSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)[N@H+](C)C1CC1 ZINC000343245343 353261637 /nfs/dbraw/zinc/26/16/37/353261637.db2.gz CCEPONGOZFKMCZ-TZMCWYRMSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)[N@@H+](C)C1CC1 ZINC000343245343 353261640 /nfs/dbraw/zinc/26/16/40/353261640.db2.gz CCEPONGOZFKMCZ-TZMCWYRMSA-N 2 1 280.416 -0.025 20 0 CBADMP C[NH+](CCNC(=O)C(=O)NCC[N@H+](C)C1CC1)C1CC1 ZINC000343287931 353264261 /nfs/dbraw/zinc/26/42/61/353264261.db2.gz PMEWIPHOPYTAAH-UHFFFAOYSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344031066 353303219 /nfs/dbraw/zinc/30/32/19/353303219.db2.gz OZNLNWWRJLXQNJ-NSHDSACASA-N 2 1 287.408 -0.615 20 0 CBADMP CS[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1[NH+](C)C ZINC000344734464 353306186 /nfs/dbraw/zinc/30/61/86/353306186.db2.gz WJBXGSHRLRQTTR-SDDRHHMPSA-N 2 1 287.429 -0.179 20 0 CBADMP CS[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1[NH+](C)C ZINC000344734464 353306187 /nfs/dbraw/zinc/30/61/87/353306187.db2.gz WJBXGSHRLRQTTR-SDDRHHMPSA-N 2 1 287.429 -0.179 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)CCC[N@H+]1C ZINC000345332515 353324325 /nfs/dbraw/zinc/32/43/25/353324325.db2.gz YKNGZMKKTKHACS-MCIONIFRSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CCC[NH+]1C ZINC000345332515 353324327 /nfs/dbraw/zinc/32/43/27/353324327.db2.gz YKNGZMKKTKHACS-MCIONIFRSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCC[NH+]1C ZINC000345332515 353324329 /nfs/dbraw/zinc/32/43/29/353324329.db2.gz YKNGZMKKTKHACS-MCIONIFRSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000346227796 353366745 /nfs/dbraw/zinc/36/67/45/353366745.db2.gz QSMCKZONDSNIDT-RYUDHWBXSA-N 2 1 254.378 -0.557 20 0 CBADMP C[NH+]1CCN(c2ncc(CN3CC[C@H]([NH3+])C3)cn2)CC1 ZINC000346689104 353389920 /nfs/dbraw/zinc/38/99/20/353389920.db2.gz PAJROOINNQOWJK-ZDUSSCGKSA-N 2 1 276.388 -0.239 20 0 CBADMP COC(=O)c1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cn1C ZINC000348264082 353416844 /nfs/dbraw/zinc/41/68/44/353416844.db2.gz VWMDKBBFDLBYLL-AWEZNQCLSA-N 2 1 281.356 -0.032 20 0 CBADMP COC(=O)c1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cn1C ZINC000348264082 353416846 /nfs/dbraw/zinc/41/68/46/353416846.db2.gz VWMDKBBFDLBYLL-AWEZNQCLSA-N 2 1 281.356 -0.032 20 0 CBADMP O=C(CCOC1C[NH2+]C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000348998131 353444197 /nfs/dbraw/zinc/44/41/97/353444197.db2.gz KJBJWEQIORNWHB-LLVKDONJSA-N 2 1 253.346 -0.329 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000349009550 353445007 /nfs/dbraw/zinc/44/50/07/353445007.db2.gz XGRWPSCRHLLNLZ-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000351553045 353475907 /nfs/dbraw/zinc/47/59/07/353475907.db2.gz CVLNMGYXGAAUHU-AGIUHOORSA-N 2 1 294.399 -0.402 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000353090568 353520701 /nfs/dbraw/zinc/52/07/01/353520701.db2.gz SQFQPNZRNSPUML-RYUDHWBXSA-N 2 1 271.409 -0.519 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000353118563 353521654 /nfs/dbraw/zinc/52/16/54/353521654.db2.gz XPPXJWABAGNDRN-GFCCVEGCSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000353118563 353521657 /nfs/dbraw/zinc/52/16/57/353521657.db2.gz XPPXJWABAGNDRN-GFCCVEGCSA-N 2 1 284.404 -0.211 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C[NH3+])OC ZINC000353436311 353532072 /nfs/dbraw/zinc/53/20/72/353532072.db2.gz XVIFLNBIVPDLSU-MNOVXSKESA-N 2 1 259.350 -0.813 20 0 CBADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353469012 353532258 /nfs/dbraw/zinc/53/22/58/353532258.db2.gz FQQLJAVICRETRX-MXWKQRLJSA-N 2 1 270.377 -0.574 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353469012 353532261 /nfs/dbraw/zinc/53/22/61/353532261.db2.gz FQQLJAVICRETRX-MXWKQRLJSA-N 2 1 270.377 -0.574 20 0 CBADMP COC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353801200 353533515 /nfs/dbraw/zinc/53/35/15/353533515.db2.gz ZZUIHBFDLKWLHD-GRYCIOLGSA-N 2 1 273.377 -0.424 20 0 CBADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000354703763 353579304 /nfs/dbraw/zinc/57/93/04/353579304.db2.gz ZZMIRIQUKJYJEN-ZDUSSCGKSA-N 2 1 294.399 -0.449 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000355129686 353586472 /nfs/dbraw/zinc/58/64/72/353586472.db2.gz IUZQVINBPTVUTE-LLVKDONJSA-N 2 1 282.388 -0.641 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)C2C[NH2+]C2)C1 ZINC000357085561 353601415 /nfs/dbraw/zinc/60/14/15/353601415.db2.gz KXQQHUBAQXEZIK-CQSZACIVSA-N 2 1 298.431 -0.637 20 0 CBADMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCOCC[NH3+])C1 ZINC000357080752 353601592 /nfs/dbraw/zinc/60/15/92/353601592.db2.gz NDARLDRIBRVMOX-QWHCGFSZSA-N 2 1 287.404 -0.175 20 0 CBADMP CS(=O)(=O)NC[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357067535 353601888 /nfs/dbraw/zinc/60/18/88/353601888.db2.gz FHEMPTMTPNQETM-LLVKDONJSA-N 2 1 279.406 -0.777 20 0 CBADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000358097968 353626003 /nfs/dbraw/zinc/62/60/03/353626003.db2.gz OCVSPERBLQYKOO-KBPBESRZSA-N 2 1 280.416 -0.214 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358679874 353649998 /nfs/dbraw/zinc/64/99/98/353649998.db2.gz AZDZMGHPRMVKBR-WCQYABFASA-N 2 1 272.393 -0.308 20 0 CBADMP CN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000357900142 353612718 /nfs/dbraw/zinc/61/27/18/353612718.db2.gz BALMCPJXMAADGJ-UTUOFQBUSA-N 2 1 253.346 -0.596 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000361710737 353663443 /nfs/dbraw/zinc/66/34/43/353663443.db2.gz LYIKCFLSELIPDW-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP C[N@@H+]([C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCNC1=O ZINC000363478489 353669984 /nfs/dbraw/zinc/66/99/84/353669984.db2.gz LUKNLUZCCZPGJB-ZIAGYGMSSA-N 2 1 280.416 -0.025 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000366932203 353679163 /nfs/dbraw/zinc/67/91/63/353679163.db2.gz JRUIZSBYVSCMMF-XQHKEYJVSA-N 2 1 267.373 -0.443 20 0 CBADMP C[NH+]1CCN(C(=O)CN2CCCC[C@H]2C(=[NH2+])NO)CC1 ZINC000368527120 353686514 /nfs/dbraw/zinc/68/65/14/353686514.db2.gz QDDSPTKUOOFYTL-NSHDSACASA-N 2 1 283.376 -0.429 20 0 CBADMP C[N@H+](CCC(=O)N1CCOCC1)[C@H](C[NH3+])C1CC1 ZINC000359904019 353655656 /nfs/dbraw/zinc/65/56/56/353655656.db2.gz CELAZDKTCUDVIC-GFCCVEGCSA-N 2 1 255.362 -0.096 20 0 CBADMP C[N@@H+](CCC(=O)N1CCOCC1)[C@H](C[NH3+])C1CC1 ZINC000359904019 353655658 /nfs/dbraw/zinc/65/56/58/353655658.db2.gz CELAZDKTCUDVIC-GFCCVEGCSA-N 2 1 255.362 -0.096 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000371490340 353702788 /nfs/dbraw/zinc/70/27/88/353702788.db2.gz DSBUOAWZQJBYHU-ZJUUUORDSA-N 2 1 279.344 -0.060 20 0 CBADMP CC(C)([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372098181 353710618 /nfs/dbraw/zinc/71/06/18/353710618.db2.gz HIUFELJLEDFHEB-MNOVXSKESA-N 2 1 255.362 -0.219 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@H]1C[NH+]2CCN1CCC2 ZINC000373688039 353734933 /nfs/dbraw/zinc/73/49/33/353734933.db2.gz LGVVKCMKWYGILF-CQSZACIVSA-N 2 1 296.415 -0.785 20 0 CBADMP O=C(NCC[NH+]1CCCOCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000373688039 353734935 /nfs/dbraw/zinc/73/49/35/353734935.db2.gz LGVVKCMKWYGILF-CQSZACIVSA-N 2 1 296.415 -0.785 20 0 CBADMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372399670 353716625 /nfs/dbraw/zinc/71/66/25/353716625.db2.gz RLOZMQLLTKUHGZ-KBPBESRZSA-N 2 1 298.431 -0.364 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000374798507 353749142 /nfs/dbraw/zinc/74/91/42/353749142.db2.gz JVFCKNVKPSYVCB-FRRDWIJNSA-N 2 1 284.404 -0.803 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000374798507 353749144 /nfs/dbraw/zinc/74/91/44/353749144.db2.gz JVFCKNVKPSYVCB-FRRDWIJNSA-N 2 1 284.404 -0.803 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)C[C@@H]1C ZINC000375912348 353768791 /nfs/dbraw/zinc/76/87/91/353768791.db2.gz OULONCZEJHNLDT-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000378207876 353780234 /nfs/dbraw/zinc/78/02/34/353780234.db2.gz SQEURUSZXQEPMA-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C3C[NH2+]C3)CC2)C1 ZINC000378638238 353780917 /nfs/dbraw/zinc/78/09/17/353780917.db2.gz APNRJCZJASBFBV-ZDUSSCGKSA-N 2 1 266.389 -0.556 20 0 CBADMP C[C@@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C[C@H]1C[NH3+] ZINC000379959545 353782177 /nfs/dbraw/zinc/78/21/77/353782177.db2.gz DNFHLQFRFHERKN-GHMZBOCLSA-N 2 1 263.407 -0.206 20 0 CBADMP C[C@@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C[C@H]1C[NH3+] ZINC000379959545 353782180 /nfs/dbraw/zinc/78/21/80/353782180.db2.gz DNFHLQFRFHERKN-GHMZBOCLSA-N 2 1 263.407 -0.206 20 0 CBADMP CC(C)N1CCN(S(=O)(=O)C[C@@H]2CNCCO2)CC1 ZINC000382386895 353784057 /nfs/dbraw/zinc/78/40/57/353784057.db2.gz SSXWZUNYAZZHMM-LBPRGKRZSA-N 2 1 291.417 -0.669 20 0 CBADMP C[NH+]1CCC([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000400171227 353799892 /nfs/dbraw/zinc/79/98/92/353799892.db2.gz KQEKBDYWEOXOSD-LLVKDONJSA-N 2 1 261.391 -0.296 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404360827 353806652 /nfs/dbraw/zinc/80/66/52/353806652.db2.gz NVFFVCZVLBLRDV-VHSXEESVSA-N 2 1 256.350 -0.109 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404360827 353806655 /nfs/dbraw/zinc/80/66/55/353806655.db2.gz NVFFVCZVLBLRDV-VHSXEESVSA-N 2 1 256.350 -0.109 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CCCn1ccnn1)C1CC1 ZINC000386080865 353787820 /nfs/dbraw/zinc/78/78/20/353787820.db2.gz HCRIEPMXPAURMH-GFCCVEGCSA-N 2 1 253.350 -0.287 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CCCn1ccnn1)C1CC1 ZINC000386080865 353787823 /nfs/dbraw/zinc/78/78/23/353787823.db2.gz HCRIEPMXPAURMH-GFCCVEGCSA-N 2 1 253.350 -0.287 20 0 CBADMP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389451706 353791492 /nfs/dbraw/zinc/79/14/92/353791492.db2.gz WLXMQUWFWXJTGF-PHIMTYICSA-N 2 1 268.361 -0.237 20 0 CBADMP CSCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394375497 353793781 /nfs/dbraw/zinc/79/37/81/353793781.db2.gz OAWBAWRAKPKJHH-RYUDHWBXSA-N 2 1 286.445 -0.427 20 0 CBADMP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394375498 353793915 /nfs/dbraw/zinc/79/39/15/353793915.db2.gz OAWBAWRAKPKJHH-VXGBXAGGSA-N 2 1 286.445 -0.427 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H]1C ZINC000410709264 353935621 /nfs/dbraw/zinc/93/56/21/353935621.db2.gz FENVNLYIDWGBOR-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H]1C ZINC000410709264 353935622 /nfs/dbraw/zinc/93/56/22/353935622.db2.gz FENVNLYIDWGBOR-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000410993823 353939711 /nfs/dbraw/zinc/93/97/11/353939711.db2.gz ZEHJRRRHHTUVLX-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP CC[NH2+]CCNC(=O)NCCC[NH+]1CCOCC1 ZINC000416801277 353972994 /nfs/dbraw/zinc/97/29/94/353972994.db2.gz RZKFSEOEEPARPF-UHFFFAOYSA-N 2 1 258.366 -0.383 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)NCC2([NH3+])CCC2)CC1 ZINC000416989994 353974836 /nfs/dbraw/zinc/97/48/36/353974836.db2.gz DZWRBJRFLDSUEV-UHFFFAOYSA-N 2 1 297.403 -0.669 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000417240913 353976572 /nfs/dbraw/zinc/97/65/72/353976572.db2.gz QMMRDSKQURRNFK-AWEZNQCLSA-N 2 1 297.447 -0.077 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000417440847 353977327 /nfs/dbraw/zinc/97/73/27/353977327.db2.gz PDXPMNQJKULKRM-VXGBXAGGSA-N 2 1 272.393 -0.057 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417446641 353977958 /nfs/dbraw/zinc/97/79/58/353977958.db2.gz MNTAHTGULPGTFZ-OLZOCXBDSA-N 2 1 285.436 -0.081 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417443333 353978054 /nfs/dbraw/zinc/97/80/54/353978054.db2.gz XWYSYIQKVWDJEI-LLVKDONJSA-N 2 1 258.366 -0.384 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000417701552 353981162 /nfs/dbraw/zinc/98/11/62/353981162.db2.gz IFIQILXKQCYRDX-OBJOEFQTSA-N 2 1 296.415 -0.117 20 0 CBADMP C[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])C[NH+]1CCOCC1 ZINC000417728790 353981864 /nfs/dbraw/zinc/98/18/64/353981864.db2.gz PJAUSMBDUKKELC-WOPDTQHZSA-N 2 1 272.393 -0.010 20 0 CBADMP C[C@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)C[NH+]1CCOCC1 ZINC000417735285 353982163 /nfs/dbraw/zinc/98/21/63/353982163.db2.gz VQRYVACRMQKADA-YPMHNXCESA-N 2 1 284.404 -0.009 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000417713629 353982371 /nfs/dbraw/zinc/98/23/71/353982371.db2.gz GRMBXTPHLWXAEX-RYUDHWBXSA-N 2 1 272.393 -0.009 20 0 CBADMP [NH3+]CCN(CCO)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000418114794 353987462 /nfs/dbraw/zinc/98/74/62/353987462.db2.gz MRPMUOVTETYWGP-CYBMUJFWSA-N 2 1 284.404 -0.034 20 0 CBADMP C[NH+](C)CCOCCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000418075118 353987691 /nfs/dbraw/zinc/98/76/91/353987691.db2.gz YVDXDTUFCUPKJL-CYBMUJFWSA-N 2 1 290.383 -0.092 20 0 CBADMP [NH3+]CCNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418292560 353991043 /nfs/dbraw/zinc/99/10/43/353991043.db2.gz CRKHSZVXGSJSAW-HNNXBMFYSA-N 2 1 292.383 -0.119 20 0 CBADMP [NH3+]CCNC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000418292898 353991054 /nfs/dbraw/zinc/99/10/54/353991054.db2.gz DVFRXZPMJPHVKI-ZIAGYGMSSA-N 2 1 292.383 -0.120 20 0 CBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC[NH3+])C[C@H](C)O1 ZINC000418307402 353992751 /nfs/dbraw/zinc/99/27/51/353992751.db2.gz STZDKDVQIBELTD-PHIMTYICSA-N 2 1 258.366 -0.304 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCC[NH3+])C[C@H](C)O1 ZINC000418307402 353992752 /nfs/dbraw/zinc/99/27/52/353992752.db2.gz STZDKDVQIBELTD-PHIMTYICSA-N 2 1 258.366 -0.304 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000418474029 353997756 /nfs/dbraw/zinc/99/77/56/353997756.db2.gz SCDAHDACHLNTCU-UPJWGTAASA-N 2 1 284.404 -0.178 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418350040 353993775 /nfs/dbraw/zinc/99/37/75/353993775.db2.gz QOPPQRUOHUQONI-ZDUSSCGKSA-N 2 1 286.420 -0.011 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H](C)C[NH2+]C ZINC000418351908 353993800 /nfs/dbraw/zinc/99/38/00/353993800.db2.gz BPCGQYQIEJCJBO-NSHDSACASA-N 2 1 260.382 -0.545 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000418368101 353994851 /nfs/dbraw/zinc/99/48/51/353994851.db2.gz RFJYYVGDXLJIDO-AVGNSLFASA-N 2 1 286.420 -0.062 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000418365193 353995216 /nfs/dbraw/zinc/99/52/16/353995216.db2.gz DVHSLPBZLRCMCL-QWHCGFSZSA-N 2 1 286.420 -0.012 20 0 CBADMP O=C(N[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000418382606 353996008 /nfs/dbraw/zinc/99/60/08/353996008.db2.gz MLIYCJKAXLLPFV-OLZOCXBDSA-N 2 1 284.404 -0.116 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000418376217 353996060 /nfs/dbraw/zinc/99/60/60/353996060.db2.gz FWLGXGVZLRTWFT-RYUDHWBXSA-N 2 1 299.419 -0.391 20 0 CBADMP O=C(N[C@H]1CCC[NH2+]C1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000418382610 353996069 /nfs/dbraw/zinc/99/60/69/353996069.db2.gz MLIYCJKAXLLPFV-STQMWFEESA-N 2 1 284.404 -0.116 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000418378005 353996247 /nfs/dbraw/zinc/99/62/47/353996247.db2.gz ZXZAAIVLIADBMZ-JHJVBQTASA-N 2 1 286.420 -0.062 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000418398943 353996493 /nfs/dbraw/zinc/99/64/93/353996493.db2.gz WSVTYPFALHZBNJ-NWDGAFQWSA-N 2 1 272.393 -0.450 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000418398943 353996496 /nfs/dbraw/zinc/99/64/96/353996496.db2.gz WSVTYPFALHZBNJ-NWDGAFQWSA-N 2 1 272.393 -0.450 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000418407486 353996569 /nfs/dbraw/zinc/99/65/69/353996569.db2.gz FQAIXFDOARVYTE-OBJOEFQTSA-N 2 1 284.404 -0.130 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419226538 354039681 /nfs/dbraw/zinc/03/96/81/354039681.db2.gz JEMFQOPVMOWROA-YPMHNXCESA-N 2 1 296.415 -0.170 20 0 CBADMP CCC[NH2+]CCNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000418490781 353998788 /nfs/dbraw/zinc/99/87/88/353998788.db2.gz QGORNZWXJBHXRW-GFCCVEGCSA-N 2 1 299.419 -0.375 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418495365 353998882 /nfs/dbraw/zinc/99/88/82/353998882.db2.gz UMKFIMOUBAPHFY-NEPJUHHUSA-N 2 1 272.393 -0.273 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)NCC(F)(F)C[NH3+])C1 ZINC000418512009 354001564 /nfs/dbraw/zinc/00/15/64/354001564.db2.gz KOXAMCONVTTZHN-MRVPVSSYSA-N 2 1 250.293 -0.026 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC(F)(F)C[NH3+] ZINC000418514891 354001618 /nfs/dbraw/zinc/00/16/18/354001618.db2.gz PGOMMJBMUFEPES-SFYZADRCSA-N 2 1 250.293 -0.122 20 0 CBADMP [NH3+]CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])C(F)F ZINC000418517729 354001650 /nfs/dbraw/zinc/00/16/50/354001650.db2.gz VZLMGVDPONNWNN-RXMQYKEDSA-N 2 1 260.235 -0.138 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000418607789 354004227 /nfs/dbraw/zinc/00/42/27/354004227.db2.gz BVJBJCQFFLWQSI-WDEREUQCSA-N 2 1 286.376 -0.388 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000418607789 354004231 /nfs/dbraw/zinc/00/42/31/354004231.db2.gz BVJBJCQFFLWQSI-WDEREUQCSA-N 2 1 286.376 -0.388 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000418614689 354004373 /nfs/dbraw/zinc/00/43/73/354004373.db2.gz GIMGLLWQKOLZOQ-TZMCWYRMSA-N 2 1 284.404 -0.130 20 0 CBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418669862 354004988 /nfs/dbraw/zinc/00/49/88/354004988.db2.gz KHAIPUYZKOHFNC-WDNDVIMCSA-N 2 1 297.447 -0.271 20 0 CBADMP CN(CCCN(C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)CC[NH+](C)C ZINC000418669862 354004994 /nfs/dbraw/zinc/00/49/94/354004994.db2.gz KHAIPUYZKOHFNC-WDNDVIMCSA-N 2 1 297.447 -0.271 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000418651117 354005199 /nfs/dbraw/zinc/00/51/99/354005199.db2.gz XZBREXHRHDIVKD-UHFFFAOYSA-N 2 1 284.404 -0.090 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000418734392 354005729 /nfs/dbraw/zinc/00/57/29/354005729.db2.gz RYVUTCLEKYWUCU-VXGBXAGGSA-N 2 1 272.393 -0.130 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000418694609 354005847 /nfs/dbraw/zinc/00/58/47/354005847.db2.gz IGRKTPHKZZXXRR-GHMZBOCLSA-N 2 1 258.366 -0.304 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+](CCOC)CC1 ZINC000418724256 354006149 /nfs/dbraw/zinc/00/61/49/354006149.db2.gz JUBHAUBRCVXMGT-LLVKDONJSA-N 2 1 258.366 -0.303 20 0 CBADMP C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)[C@H](C)[NH3+] ZINC000418699293 354006396 /nfs/dbraw/zinc/00/63/96/354006396.db2.gz DSLSYDPWJXXSND-NOOOWODRSA-N 2 1 272.393 -0.181 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])c1ccco1 ZINC000418833800 354011572 /nfs/dbraw/zinc/01/15/72/354011572.db2.gz NSGNHYIYMZUWLI-SNVBAGLBSA-N 2 1 296.371 -0.148 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000418944354 354016782 /nfs/dbraw/zinc/01/67/82/354016782.db2.gz NPDXTRMXZRWHPO-GFCCVEGCSA-N 2 1 292.383 -0.302 20 0 CBADMP 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 354017492 /nfs/dbraw/zinc/01/74/92/354017492.db2.gz GOFXENTYPJTYEU-FVCCEPFGSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000418972169 354018483 /nfs/dbraw/zinc/01/84/83/354018483.db2.gz YHAUDGGSHAXLCI-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP 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 354023678 /nfs/dbraw/zinc/02/36/78/354023678.db2.gz CVUSIUXPAPZSSG-XQHKEYJVSA-N 2 1 298.431 -0.068 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000419015782 354024049 /nfs/dbraw/zinc/02/40/49/354024049.db2.gz FAJFRFVVHGYCJG-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419030612 354025089 /nfs/dbraw/zinc/02/50/89/354025089.db2.gz UBYHNKDNTYHFID-FRRDWIJNSA-N 2 1 298.431 -0.066 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419081215 354027062 /nfs/dbraw/zinc/02/70/62/354027062.db2.gz RHTSMVBRUXSKOQ-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NCCC[NH2+]C1CC1)C1CC1 ZINC000419110710 354028993 /nfs/dbraw/zinc/02/89/93/354028993.db2.gz SSQHEBCBONYGAL-UHFFFAOYSA-N 2 1 282.388 -0.545 20 0 CBADMP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419159536 354034579 /nfs/dbraw/zinc/03/45/79/354034579.db2.gz ZMGXTVSELLONTN-LLVKDONJSA-N 2 1 296.415 -0.027 20 0 CBADMP C[NH2+][C@@H](C)CNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000419217699 354036919 /nfs/dbraw/zinc/03/69/19/354036919.db2.gz DVQOBHQAKUBDLD-LBPRGKRZSA-N 2 1 282.388 -0.521 20 0 CBADMP [NH3+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419222686 354038084 /nfs/dbraw/zinc/03/80/84/354038084.db2.gz BVXBVQMBIOJEKU-LBPRGKRZSA-N 2 1 282.388 -0.558 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000419226424 354039109 /nfs/dbraw/zinc/03/91/09/354039109.db2.gz QRBHBYCROVQIPR-ZDUSSCGKSA-N 2 1 294.399 -0.425 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000419226423 354039272 /nfs/dbraw/zinc/03/92/72/354039272.db2.gz QRBHBYCROVQIPR-CYBMUJFWSA-N 2 1 294.399 -0.425 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000419229247 354039284 /nfs/dbraw/zinc/03/92/84/354039284.db2.gz WQQRMTPPFWUALJ-UHFFFAOYSA-N 2 1 296.415 -0.130 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419227141 354039310 /nfs/dbraw/zinc/03/93/10/354039310.db2.gz SEKSPEZTODTOJO-LBPRGKRZSA-N 2 1 282.388 -0.392 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CCC[N@H+]1C ZINC000419557301 354061544 /nfs/dbraw/zinc/06/15/44/354061544.db2.gz MFNPQYNFXZLJDI-VHSXEESVSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)C[C@@H]1[NH3+] ZINC000419562757 354061849 /nfs/dbraw/zinc/06/18/49/354061849.db2.gz VOXPFMWFVHZRDN-WISYIIOYSA-N 2 1 282.388 -0.609 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)CCC[N@H+]1C ZINC000419564098 354062242 /nfs/dbraw/zinc/06/22/42/354062242.db2.gz WZEUMCBEOKUEOW-YPMHNXCESA-N 2 1 296.415 -0.156 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000419581934 354063271 /nfs/dbraw/zinc/06/32/71/354063271.db2.gz IUYNZAMZFCNHAP-JTQLQIEISA-N 2 1 270.377 -0.689 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419577882 354063843 /nfs/dbraw/zinc/06/38/43/354063843.db2.gz DFUWSJGYTGNZLP-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000419581003 354063857 /nfs/dbraw/zinc/06/38/57/354063857.db2.gz ICPIGZDVFBICCW-GHMZBOCLSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000419582640 354064254 /nfs/dbraw/zinc/06/42/54/354064254.db2.gz JJJFJDLBASNGIL-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419585817 354064263 /nfs/dbraw/zinc/06/42/63/354064263.db2.gz MKVDUSPFWOVKKS-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419595433 354064830 /nfs/dbraw/zinc/06/48/30/354064830.db2.gz WUIVINNZZOENTC-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[N@@H+](C)C1CC1 ZINC000419587104 354064941 /nfs/dbraw/zinc/06/49/41/354064941.db2.gz NGEKBAIBLVYKIH-JTQLQIEISA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000419588510 354065259 /nfs/dbraw/zinc/06/52/59/354065259.db2.gz OJJJGSYZXKTNMD-NTZNESFSSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000419594766 354065555 /nfs/dbraw/zinc/06/55/55/354065555.db2.gz VGYBAVNELRRGGM-UTUOFQBUSA-N 2 1 294.399 -0.737 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000419878669 354088046 /nfs/dbraw/zinc/08/80/46/354088046.db2.gz SJFWBAVKYWAECJ-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000419692101 354069746 /nfs/dbraw/zinc/06/97/46/354069746.db2.gz FVDWXWXNKOLLBA-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000419694425 354069836 /nfs/dbraw/zinc/06/98/36/354069836.db2.gz JEOCFSWWIFUSRR-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419697072 354069938 /nfs/dbraw/zinc/06/99/38/354069938.db2.gz QBSNSOPWRXKVJL-LLVKDONJSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419698022 354070304 /nfs/dbraw/zinc/07/03/04/354070304.db2.gz RRLPHQXQEUBVCM-MNOVXSKESA-N 2 1 282.388 -0.417 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000419693131 354070354 /nfs/dbraw/zinc/07/03/54/354070354.db2.gz IJZNKBWALUZXLM-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419694309 354070569 /nfs/dbraw/zinc/07/05/69/354070569.db2.gz KLHRFGIWTOFGJC-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000419700734 354071482 /nfs/dbraw/zinc/07/14/82/354071482.db2.gz XXZXAFSNSSWQJG-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419740891 354075076 /nfs/dbraw/zinc/07/50/76/354075076.db2.gz YOJGDECMYQFKOX-YPMHNXCESA-N 2 1 296.415 -0.027 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419759797 354075431 /nfs/dbraw/zinc/07/54/31/354075431.db2.gz HRUZRHBBGSPTMA-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NCC[NH3+])Cc1ccc(F)cc1 ZINC000419766307 354075478 /nfs/dbraw/zinc/07/54/78/354075478.db2.gz YPBVIDJIBWMCHE-UHFFFAOYSA-N 2 1 296.346 -0.551 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419762160 354075536 /nfs/dbraw/zinc/07/55/36/354075536.db2.gz LOFIHBICKHIGFF-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419767859 354076287 /nfs/dbraw/zinc/07/62/87/354076287.db2.gz TWETZFFRETXODK-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419768227 354076555 /nfs/dbraw/zinc/07/65/55/354076555.db2.gz UBUCVAWAZOBXTI-LLVKDONJSA-N 2 1 272.393 -0.312 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC[NH2+]C ZINC000419772087 354076730 /nfs/dbraw/zinc/07/67/30/354076730.db2.gz YNQCEPKHUPRPDW-UHFFFAOYSA-N 2 1 258.366 -0.830 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419780243 354077010 /nfs/dbraw/zinc/07/70/10/354077010.db2.gz QNOYFHMEDJRNOE-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419783816 354077210 /nfs/dbraw/zinc/07/72/10/354077210.db2.gz VQMLKNJBVDTBEX-NWDGAFQWSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCCC[NH3+] ZINC000419833607 354082205 /nfs/dbraw/zinc/08/22/05/354082205.db2.gz QDOXFVMBTZFYJL-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCCC[NH3+] ZINC000419833607 354082207 /nfs/dbraw/zinc/08/22/07/354082207.db2.gz QDOXFVMBTZFYJL-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C[C@H]1C ZINC000419880753 354088591 /nfs/dbraw/zinc/08/85/91/354088591.db2.gz ALHJQGYAZWLASY-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C[C@H]1C ZINC000419880753 354088593 /nfs/dbraw/zinc/08/85/93/354088593.db2.gz ALHJQGYAZWLASY-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCC[NH3+])C[C@H]1C ZINC000419833609 354082366 /nfs/dbraw/zinc/08/23/66/354082366.db2.gz QDRLXSQVUQXJMP-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCC[NH3+])C[C@H]1C ZINC000419833609 354082368 /nfs/dbraw/zinc/08/23/68/354082368.db2.gz QDRLXSQVUQXJMP-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCCCC[NH3+])CC1 ZINC000419835441 354082378 /nfs/dbraw/zinc/08/23/78/354082378.db2.gz VWCRCKVXZAKFAA-UHFFFAOYSA-N 2 1 284.404 -0.358 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC[NH2+]1 ZINC000419836264 354082532 /nfs/dbraw/zinc/08/25/32/354082532.db2.gz VMSPQGRKRBVGKP-XQQFMLRXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCC[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000419839248 354083332 /nfs/dbraw/zinc/08/33/32/354083332.db2.gz QBUYNVNNTKWJDT-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419860408 354086494 /nfs/dbraw/zinc/08/64/94/354086494.db2.gz KRPYOZMWDMVQRC-NEPJUHHUSA-N 2 1 282.388 -0.560 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419865016 354086505 /nfs/dbraw/zinc/08/65/05/354086505.db2.gz PBMCAAUHSKCSGW-AAEUAGOBSA-N 2 1 296.415 -0.360 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419865021 354086542 /nfs/dbraw/zinc/08/65/42/354086542.db2.gz PBMCAAUHSKCSGW-YPMHNXCESA-N 2 1 296.415 -0.360 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C[C@H]1C ZINC000419871373 354086994 /nfs/dbraw/zinc/08/69/94/354086994.db2.gz SPPIZSFJGPMFNL-MDZLAQPJSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C[C@H]1C ZINC000419871373 354086996 /nfs/dbraw/zinc/08/69/96/354086996.db2.gz SPPIZSFJGPMFNL-MDZLAQPJSA-N 2 1 296.415 -0.219 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419289140 354044144 /nfs/dbraw/zinc/04/41/44/354044144.db2.gz SUZRSBHMCDRHKR-SNVBAGLBSA-N 2 1 258.366 -0.702 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419289139 354044734 /nfs/dbraw/zinc/04/47/34/354044734.db2.gz SUZRSBHMCDRHKR-JTQLQIEISA-N 2 1 258.366 -0.702 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000419322404 354045665 /nfs/dbraw/zinc/04/56/65/354045665.db2.gz SIBHVNDBHQGFJC-MNOVXSKESA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000419319118 354045805 /nfs/dbraw/zinc/04/58/05/354045805.db2.gz OKGBFKJCZLYAQB-UTUOFQBUSA-N 2 1 294.399 -0.404 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000419304106 354045855 /nfs/dbraw/zinc/04/58/55/354045855.db2.gz UGTZBRQIRULBFH-QWRGUYRKSA-N 2 1 293.371 -0.483 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419312837 354046125 /nfs/dbraw/zinc/04/61/25/354046125.db2.gz CXYDVNBEOXTAGB-MDZLAQPJSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C[N@H+]1C1CC1 ZINC000419322078 354046145 /nfs/dbraw/zinc/04/61/45/354046145.db2.gz RULDIKWFSRJBCF-CDMKHQONSA-N 2 1 294.399 -0.419 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419333986 354046842 /nfs/dbraw/zinc/04/68/42/354046842.db2.gz MUSXMJZPCCXYOK-JQWIXIFHSA-N 2 1 280.372 -0.983 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000419328892 354047056 /nfs/dbraw/zinc/04/70/56/354047056.db2.gz FYJIQZSHCQGXRJ-WCQYABFASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419333152 354047250 /nfs/dbraw/zinc/04/72/50/354047250.db2.gz LKWCSMAVMQFUDA-MDZLAQPJSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419333495 354047291 /nfs/dbraw/zinc/04/72/91/354047291.db2.gz MGDOFNUKSBUJBS-GVXVVHGQSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000419401973 354051375 /nfs/dbraw/zinc/05/13/75/354051375.db2.gz BQLJVLMUEYRKPP-GFCCVEGCSA-N 2 1 282.388 -0.734 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000419402630 354051676 /nfs/dbraw/zinc/05/16/76/354051676.db2.gz COUUKCLBNNUMLE-NEPJUHHUSA-N 2 1 282.388 -0.687 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419409621 354052801 /nfs/dbraw/zinc/05/28/01/354052801.db2.gz NFRYIYQMUVTYNY-CHWSQXEVSA-N 2 1 298.431 -0.194 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000419408818 354052805 /nfs/dbraw/zinc/05/28/05/354052805.db2.gz LZULQFCBEXZVIQ-MWLCHTKSSA-N 2 1 298.412 -0.070 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419417175 354053733 /nfs/dbraw/zinc/05/37/33/354053733.db2.gz WZGYEXWAIDQEFB-CHWSQXEVSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419501823 354056211 /nfs/dbraw/zinc/05/62/11/354056211.db2.gz CDJSCNYDSPKMDG-AGIUHOORSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419523634 354057291 /nfs/dbraw/zinc/05/72/91/354057291.db2.gz OURGVAIPOPFGDS-LLVKDONJSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419509248 354057607 /nfs/dbraw/zinc/05/76/07/354057607.db2.gz DUZUEKHERFONKV-VXGBXAGGSA-N 2 1 286.420 -0.068 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000419509265 354057691 /nfs/dbraw/zinc/05/76/91/354057691.db2.gz DZRXJKKDVZGJMP-VXGBXAGGSA-N 2 1 286.420 -0.053 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419521550 354057792 /nfs/dbraw/zinc/05/77/92/354057792.db2.gz KDYTWPXTXIAZSM-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[NH2+]CC1)C1CC1 ZINC000419524541 354058374 /nfs/dbraw/zinc/05/83/74/354058374.db2.gz QBJJYQPECYPALN-UHFFFAOYSA-N 2 1 282.388 -0.591 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419529438 354058391 /nfs/dbraw/zinc/05/83/91/354058391.db2.gz XTBIXCFVZGZPEH-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000419526914 354058749 /nfs/dbraw/zinc/05/87/49/354058749.db2.gz UEJQZACZCHAHGL-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)C1CC1 ZINC000419530287 354058819 /nfs/dbraw/zinc/05/88/19/354058819.db2.gz YUKSZGWZPOYHBW-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419541784 354059470 /nfs/dbraw/zinc/05/94/70/354059470.db2.gz DTXRCNSIFVJZQA-IJLUTSLNSA-N 2 1 284.404 -0.315 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419530422 354059702 /nfs/dbraw/zinc/05/97/02/354059702.db2.gz ZHUNOYIBVWGHDM-QWRGUYRKSA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCC[N@H+]1C ZINC000419543758 354060431 /nfs/dbraw/zinc/06/04/31/354060431.db2.gz GRLVFJTZQOAHMZ-YNEHKIRRSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419560488 354060985 /nfs/dbraw/zinc/06/09/85/354060985.db2.gz RAPAMRCJJAYMMO-LPWJVIDDSA-N 2 1 296.415 -0.301 20 0 CBADMP 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 354061426 /nfs/dbraw/zinc/06/14/26/354061426.db2.gz SDIJXRQLGMXKDI-FVCCEPFGSA-N 2 1 296.415 -0.206 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000419881364 354089157 /nfs/dbraw/zinc/08/91/57/354089157.db2.gz WDZPAEURSVEUNH-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000419890331 354089513 /nfs/dbraw/zinc/08/95/13/354089513.db2.gz MBOYUUCMBPCEPD-LBPRGKRZSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000419890331 354089514 /nfs/dbraw/zinc/08/95/14/354089514.db2.gz MBOYUUCMBPCEPD-LBPRGKRZSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000419891547 354090723 /nfs/dbraw/zinc/09/07/23/354090723.db2.gz NDVHTGJXUNESSJ-LBPRGKRZSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000419891547 354090725 /nfs/dbraw/zinc/09/07/25/354090725.db2.gz NDVHTGJXUNESSJ-LBPRGKRZSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C(C)C ZINC000419905123 354092553 /nfs/dbraw/zinc/09/25/53/354092553.db2.gz YMWCHCNRMUNUDJ-LBPRGKRZSA-N 2 1 284.404 -0.299 20 0 CBADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000419936942 354094602 /nfs/dbraw/zinc/09/46/02/354094602.db2.gz MGWYUWKNUHQPNL-OLZOCXBDSA-N 2 1 294.399 -0.449 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH3+])C(C)C ZINC000419937678 354094728 /nfs/dbraw/zinc/09/47/28/354094728.db2.gz GMAQPQKZKFETAB-LLVKDONJSA-N 2 1 272.393 -0.456 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419944852 354095324 /nfs/dbraw/zinc/09/53/24/354095324.db2.gz BQLHYZHHQPNEJX-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000419958113 354097219 /nfs/dbraw/zinc/09/72/19/354097219.db2.gz UQKKZLAYFKEIAR-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000419958113 354097222 /nfs/dbraw/zinc/09/72/22/354097222.db2.gz UQKKZLAYFKEIAR-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000419981319 354098875 /nfs/dbraw/zinc/09/88/75/354098875.db2.gz RZYNBWMXIPIIMP-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000419974539 354099459 /nfs/dbraw/zinc/09/94/59/354099459.db2.gz JPWBYUMABXRXNM-RWMBFGLXSA-N 2 1 298.431 -0.197 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)C[NH2+]C)C[C@@H]1C ZINC000419974532 354099493 /nfs/dbraw/zinc/09/94/93/354099493.db2.gz JPQKQSZHYJZEFB-AGIUHOORSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)C[NH2+]C)C[C@@H]1C ZINC000419974532 354099496 /nfs/dbraw/zinc/09/94/96/354099496.db2.gz JPQKQSZHYJZEFB-AGIUHOORSA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000419981321 354099565 /nfs/dbraw/zinc/09/95/65/354099565.db2.gz RZYNBWMXIPIIMP-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)CC[NH3+])C(C)C ZINC000419989746 354099953 /nfs/dbraw/zinc/09/99/53/354099953.db2.gz JHPABIQHIOZKPE-NSHDSACASA-N 2 1 272.393 -0.314 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000420000113 354101194 /nfs/dbraw/zinc/10/11/94/354101194.db2.gz PKKCBGUWHBDMTH-OLZOCXBDSA-N 2 1 298.431 -0.066 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000420012312 354102167 /nfs/dbraw/zinc/10/21/67/354102167.db2.gz IZGCQYOXRQRGGW-ZDUSSCGKSA-N 2 1 296.415 -0.360 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H](C)C[NH3+])CC[N@@H+]1C ZINC000420021767 354102900 /nfs/dbraw/zinc/10/29/00/354102900.db2.gz IJMVGIGVBWVGFK-GHMZBOCLSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H](C)C[NH3+])CC[N@H+]1C ZINC000420021767 354102902 /nfs/dbraw/zinc/10/29/02/354102902.db2.gz IJMVGIGVBWVGFK-GHMZBOCLSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000420053351 354105441 /nfs/dbraw/zinc/10/54/41/354105441.db2.gz XNOIKAVTYIGODP-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420064439 354106235 /nfs/dbraw/zinc/10/62/35/354106235.db2.gz ORVADDYOYPCVJR-LBPRGKRZSA-N 2 1 282.388 -0.606 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC[N@@H+]1C ZINC000420058947 354106301 /nfs/dbraw/zinc/10/63/01/354106301.db2.gz JHRXDOMHZKKQPB-OLZOCXBDSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC[N@H+]1C ZINC000420058947 354106304 /nfs/dbraw/zinc/10/63/04/354106304.db2.gz JHRXDOMHZKKQPB-OLZOCXBDSA-N 2 1 296.415 -0.362 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420072283 354107104 /nfs/dbraw/zinc/10/71/04/354107104.db2.gz YXRSJELHEVOICC-YPMHNXCESA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000420135566 354111298 /nfs/dbraw/zinc/11/12/98/354111298.db2.gz DXYPFKUVCYZCAO-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420150529 354113414 /nfs/dbraw/zinc/11/34/14/354113414.db2.gz KRPGWZJUSSJSOY-UHFFFAOYSA-N 2 1 292.330 -0.751 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420150529 354113415 /nfs/dbraw/zinc/11/34/15/354113415.db2.gz KRPGWZJUSSJSOY-UHFFFAOYSA-N 2 1 292.330 -0.751 20 0 CBADMP COC(=O)CC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420302600 354122015 /nfs/dbraw/zinc/12/20/15/354122015.db2.gz WMXROVPVBNMTAJ-GFCCVEGCSA-N 2 1 283.372 -0.307 20 0 CBADMP COC(=O)CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000420313174 354122783 /nfs/dbraw/zinc/12/27/83/354122783.db2.gz PGSYUYGDGYHTHL-NSHDSACASA-N 2 1 271.361 -0.131 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420313559 354122823 /nfs/dbraw/zinc/12/28/23/354122823.db2.gz UMKRLFHTOQTVSV-MNOVXSKESA-N 2 1 263.407 -0.015 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000420360863 354125109 /nfs/dbraw/zinc/12/51/09/354125109.db2.gz MKNJAJRYINZXHX-GFCCVEGCSA-N 2 1 283.372 -0.260 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000420360863 354125115 /nfs/dbraw/zinc/12/51/15/354125115.db2.gz MKNJAJRYINZXHX-GFCCVEGCSA-N 2 1 283.372 -0.260 20 0 CBADMP O=C(CC[N@H+]1CCOC[C@H]1C1CC1)N1CC[NH2+]CC1 ZINC000420356183 354125142 /nfs/dbraw/zinc/12/51/42/354125142.db2.gz FZKWAHMRRSTGJR-ZDUSSCGKSA-N 2 1 267.373 -0.081 20 0 CBADMP CCC[C@@]1(C)C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420361631 354125170 /nfs/dbraw/zinc/12/51/70/354125170.db2.gz NNIZCYIDRXIXOX-HNNXBMFYSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000420398093 354126396 /nfs/dbraw/zinc/12/63/96/354126396.db2.gz YKIRHEBQXMPCLJ-KGLIPLIRSA-N 2 1 298.431 -0.411 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423217975 354165796 /nfs/dbraw/zinc/16/57/96/354165796.db2.gz TUXUAYLORYBUCU-UHFFFAOYSA-N 2 1 282.388 -0.639 20 0 CBADMP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000423273627 354166890 /nfs/dbraw/zinc/16/68/90/354166890.db2.gz LFXLXJWDGVMOFV-WCQYABFASA-N 2 1 294.399 -0.369 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C[C@@H](C)[NH2+]1 ZINC000423247222 354167247 /nfs/dbraw/zinc/16/72/47/354167247.db2.gz QHXIJRDDUFIWAP-JHJVBQTASA-N 2 1 296.415 -0.252 20 0 CBADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000423306734 354168040 /nfs/dbraw/zinc/16/80/40/354168040.db2.gz UPCLEMFGRNTUQF-NSHDSACASA-N 2 1 280.372 -0.757 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000423336760 354169199 /nfs/dbraw/zinc/16/91/99/354169199.db2.gz VAWLHEDAGWGIEF-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000423336762 354169589 /nfs/dbraw/zinc/16/95/89/354169589.db2.gz VAWLHEDAGWGIEF-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000423354189 354171527 /nfs/dbraw/zinc/17/15/27/354171527.db2.gz FRCXNYMXQKEGEI-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000423354189 354171530 /nfs/dbraw/zinc/17/15/30/354171530.db2.gz FRCXNYMXQKEGEI-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423358493 354172159 /nfs/dbraw/zinc/17/21/59/354172159.db2.gz NNPBVEQDKAEOPS-VXGBXAGGSA-N 2 1 282.388 -0.655 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423358493 354172164 /nfs/dbraw/zinc/17/21/64/354172164.db2.gz NNPBVEQDKAEOPS-VXGBXAGGSA-N 2 1 282.388 -0.655 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423368458 354172780 /nfs/dbraw/zinc/17/27/80/354172780.db2.gz ZWFXMZZRJCXOPI-QWHCGFSZSA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423368458 354172781 /nfs/dbraw/zinc/17/27/81/354172781.db2.gz ZWFXMZZRJCXOPI-QWHCGFSZSA-N 2 1 296.415 -0.408 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH3+])CC2)C[C@H]1C ZINC000423372898 354172822 /nfs/dbraw/zinc/17/28/22/354172822.db2.gz HJQOINPENIJICJ-NEPJUHHUSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH3+])CC2)C[C@H]1C ZINC000423372898 354172824 /nfs/dbraw/zinc/17/28/24/354172824.db2.gz HJQOINPENIJICJ-NEPJUHHUSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423382602 354173922 /nfs/dbraw/zinc/17/39/22/354173922.db2.gz DKPDLFXJHSCIAW-ZJUUUORDSA-N 2 1 259.350 -0.277 20 0 CBADMP COC[C@@]1(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000423404677 354174539 /nfs/dbraw/zinc/17/45/39/354174539.db2.gz XNZHJNOWVSRMKD-UKRRQHHQSA-N 2 1 299.415 -0.303 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000423422957 354175520 /nfs/dbraw/zinc/17/55/20/354175520.db2.gz LMDHKTMAUBYGSJ-AWEZNQCLSA-N 2 1 287.404 -0.303 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000423422961 354175950 /nfs/dbraw/zinc/17/59/50/354175950.db2.gz LMDHKTMAUBYGSJ-CQSZACIVSA-N 2 1 287.404 -0.303 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000423446629 354176223 /nfs/dbraw/zinc/17/62/23/354176223.db2.gz SXBDPPSKBQRZDX-CQSZACIVSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000423432959 354176701 /nfs/dbraw/zinc/17/67/01/354176701.db2.gz BWLCMORTELBRCA-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CC[C@H](O)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000421025576 354139144 /nfs/dbraw/zinc/13/91/44/354139144.db2.gz RCJYWZNJOCNGSA-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CC[C@H](O)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000421025576 354139146 /nfs/dbraw/zinc/13/91/46/354139146.db2.gz RCJYWZNJOCNGSA-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000422263359 354144808 /nfs/dbraw/zinc/14/48/08/354144808.db2.gz SGANMVDTWAVZTN-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000422263359 354144809 /nfs/dbraw/zinc/14/48/09/354144809.db2.gz SGANMVDTWAVZTN-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000422263359 354144810 /nfs/dbraw/zinc/14/48/10/354144810.db2.gz SGANMVDTWAVZTN-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422268777 354145171 /nfs/dbraw/zinc/14/51/71/354145171.db2.gz KTQAJJRYCYBTQE-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000422591528 354150183 /nfs/dbraw/zinc/15/01/83/354150183.db2.gz MREIWSVRSYYTRN-UHFFFAOYSA-N 2 1 299.419 -0.423 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000422614461 354150527 /nfs/dbraw/zinc/15/05/27/354150527.db2.gz YREJKAHBMUDXRZ-WYUUTHIRSA-N 2 1 252.362 -0.060 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422714153 354151278 /nfs/dbraw/zinc/15/12/78/354151278.db2.gz KSJCYBFJVSZBKM-OLZOCXBDSA-N 3 1 268.405 -0.133 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000422856695 354156453 /nfs/dbraw/zinc/15/64/53/354156453.db2.gz FVQKPGOVHCOWNA-NWDGAFQWSA-N 2 1 255.362 -0.051 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000422856695 354156455 /nfs/dbraw/zinc/15/64/55/354156455.db2.gz FVQKPGOVHCOWNA-NWDGAFQWSA-N 2 1 255.362 -0.051 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422967724 354158368 /nfs/dbraw/zinc/15/83/68/354158368.db2.gz CHNRPGCRAIEZDS-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000423483651 354177553 /nfs/dbraw/zinc/17/75/53/354177553.db2.gz SRKHBBCMJLFLRE-NWDGAFQWSA-N 2 1 255.362 -0.051 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N(C)CCC[NH2+]C)CC1 ZINC000423068469 354161854 /nfs/dbraw/zinc/16/18/54/354161854.db2.gz JXFIVJXTJAKZPE-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000423589856 354181825 /nfs/dbraw/zinc/18/18/25/354181825.db2.gz IFQGEMAHCSHWQZ-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000423617336 354184790 /nfs/dbraw/zinc/18/47/90/354184790.db2.gz SXRJSLAPEVMIEG-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423615662 354184886 /nfs/dbraw/zinc/18/48/86/354184886.db2.gz ZBJBNPXZJQICMN-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C1 ZINC000423617145 354184943 /nfs/dbraw/zinc/18/49/43/354184943.db2.gz WZRBNPSWZDPOIF-TUAOUCFPSA-N 2 1 282.388 -0.642 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C1 ZINC000423617145 354184945 /nfs/dbraw/zinc/18/49/45/354184945.db2.gz WZRBNPSWZDPOIF-TUAOUCFPSA-N 2 1 282.388 -0.642 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423629464 354186819 /nfs/dbraw/zinc/18/68/19/354186819.db2.gz XJEZBSABSHJBOW-ZDUSSCGKSA-N 2 1 296.415 -0.121 20 0 CBADMP COC[C@@]1(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CCC[NH2+]1 ZINC000423630972 354186973 /nfs/dbraw/zinc/18/69/73/354186973.db2.gz FXRDPANTZKEEAY-HIFRSBDPSA-N 2 1 299.415 -0.020 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000423635113 354187568 /nfs/dbraw/zinc/18/75/68/354187568.db2.gz RHEUWFFEFVVBOR-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)N[C@@H](C)C2)C[C@H](C)N1C ZINC000423670351 354190206 /nfs/dbraw/zinc/19/02/06/354190206.db2.gz AVQCTDSQDVKBMI-ZDEQEGDKSA-N 2 1 296.415 -0.254 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC[NH2+]1 ZINC000423673662 354191028 /nfs/dbraw/zinc/19/10/28/354191028.db2.gz GERLXOCMQBMGNP-WFASDCNBSA-N 2 1 294.399 -0.639 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000423731273 354195116 /nfs/dbraw/zinc/19/51/16/354195116.db2.gz YSZVYVRHRQAPCX-MXWKQRLJSA-N 2 1 270.377 -0.657 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000423731273 354195117 /nfs/dbraw/zinc/19/51/17/354195117.db2.gz YSZVYVRHRQAPCX-MXWKQRLJSA-N 2 1 270.377 -0.657 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423731185 354195281 /nfs/dbraw/zinc/19/52/81/354195281.db2.gz YPKWFDPZFCBNMH-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)COC1C[NH2+]C1 ZINC000423768300 354199342 /nfs/dbraw/zinc/19/93/42/354199342.db2.gz DCVCAXWDOAQQOW-GFCCVEGCSA-N 2 1 255.362 -0.227 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000423779448 354199906 /nfs/dbraw/zinc/19/99/06/354199906.db2.gz UZPVDVJJEBHLFV-RYUDHWBXSA-N 2 1 255.362 -0.227 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423998366 354207158 /nfs/dbraw/zinc/20/71/58/354207158.db2.gz ZKRGZNMZMABUOD-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424135929 354211500 /nfs/dbraw/zinc/21/15/00/354211500.db2.gz PTRDVUUCRDSBIJ-NEPJUHHUSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[N@@H+](C)CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424157071 354212467 /nfs/dbraw/zinc/21/24/67/354212467.db2.gz PBJQVSQDERVOMM-NSHDSACASA-N 2 1 280.376 -0.116 20 0 CBADMP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000424173177 354213831 /nfs/dbraw/zinc/21/38/31/354213831.db2.gz NTSKOIVXRQQBAK-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428029049 354245894 /nfs/dbraw/zinc/24/58/94/354245894.db2.gz CPLUUKIDEPKYRM-MNOVXSKESA-N 2 1 261.391 -0.391 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428029049 354245899 /nfs/dbraw/zinc/24/58/99/354245899.db2.gz CPLUUKIDEPKYRM-MNOVXSKESA-N 2 1 261.391 -0.391 20 0 CBADMP C[C@H]1C[C@@H](O)CCN1CC(=O)N1CCN(C)CC1 ZINC000429143207 354247828 /nfs/dbraw/zinc/24/78/28/354247828.db2.gz PJRYTZSDFDGLBS-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP O=C(C[NH2+]C[C@H]1CCCO1)NCC[NH+]1CCSCC1 ZINC000430694387 354250612 /nfs/dbraw/zinc/25/06/12/354250612.db2.gz KGPUJLKHSGGSQY-GFCCVEGCSA-N 2 1 287.429 -0.080 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)CN1CC[NH+](C)CC1 ZINC000431016187 354251833 /nfs/dbraw/zinc/25/18/33/354251833.db2.gz YVUMLOZCEFMTFX-KBPBESRZSA-N 2 1 298.431 -0.635 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432537903 354252297 /nfs/dbraw/zinc/25/22/97/354252297.db2.gz IKENJHYZPILXDX-NNYUYHANSA-N 2 1 253.346 -0.548 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)C(=O)N(C)C ZINC000443055341 354259123 /nfs/dbraw/zinc/25/91/23/354259123.db2.gz BGLBQFYRKWNVQD-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCCCN1CCCC1=O ZINC000442767784 354259256 /nfs/dbraw/zinc/25/92/56/354259256.db2.gz ROAZVQCBSXUNJT-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000442767784 354259259 /nfs/dbraw/zinc/25/92/59/354259259.db2.gz ROAZVQCBSXUNJT-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444183595 354264484 /nfs/dbraw/zinc/26/44/84/354264484.db2.gz ODYDQOOZLWZXIQ-GFCCVEGCSA-N 2 1 282.388 -0.545 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000424219072 354220255 /nfs/dbraw/zinc/22/02/55/354220255.db2.gz ZDSHOOKSBQUIHU-UHFFFAOYSA-N 2 1 287.404 -0.208 20 0 CBADMP O=C(CC[N@H+]1CCC[C@H](n2ccnn2)C1)N1CC[NH2+]CC1 ZINC000424289925 354222827 /nfs/dbraw/zinc/22/28/27/354222827.db2.gz CRWKYYUFEMYIPN-ZDUSSCGKSA-N 2 1 292.387 -0.263 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424459781 354224755 /nfs/dbraw/zinc/22/47/55/354224755.db2.gz HDUSYEUYFQCHBQ-YNEHKIRRSA-N 2 1 283.420 -0.199 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446284235 354285932 /nfs/dbraw/zinc/28/59/32/354285932.db2.gz LJGKWCIEWTXMRV-VHSXEESVSA-N 2 1 261.366 -0.149 20 0 CBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446365390 354286446 /nfs/dbraw/zinc/28/64/46/354286446.db2.gz XLJHJMHLUVYHLZ-SDDRHHMPSA-N 2 1 273.352 -0.087 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444268906 354267262 /nfs/dbraw/zinc/26/72/62/354267262.db2.gz OXMZVCIHAWMQCY-DZGCQCFKSA-N 2 1 280.416 -0.260 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000444265400 354267850 /nfs/dbraw/zinc/26/78/50/354267850.db2.gz GWQYRPKTQHGXOK-VXGBXAGGSA-N 2 1 254.378 -0.652 20 0 CBADMP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000449398024 354319574 /nfs/dbraw/zinc/31/95/74/354319574.db2.gz SMCPHUPHSKYWMX-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449325693 354319822 /nfs/dbraw/zinc/31/98/22/354319822.db2.gz OXDBLCQBUPCSJR-VXGBXAGGSA-N 2 1 257.378 -0.074 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000449316318 354320108 /nfs/dbraw/zinc/32/01/08/354320108.db2.gz MLPYRDDBICYUQY-VXGBXAGGSA-N 2 1 255.362 -0.368 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000449658921 354320884 /nfs/dbraw/zinc/32/08/84/354320884.db2.gz ABABMQNICZGGDD-NXEZZACHSA-N 2 1 277.315 -0.180 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000449658921 354320887 /nfs/dbraw/zinc/32/08/87/354320887.db2.gz ABABMQNICZGGDD-NXEZZACHSA-N 2 1 277.315 -0.180 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000449574772 354321059 /nfs/dbraw/zinc/32/10/59/354321059.db2.gz YQIGWUBDWIIVJH-AAEUAGOBSA-N 2 1 273.352 -0.085 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000452382878 354349451 /nfs/dbraw/zinc/34/94/51/354349451.db2.gz NKZRQSSHPFAAJG-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000452382878 354349453 /nfs/dbraw/zinc/34/94/53/354349453.db2.gz NKZRQSSHPFAAJG-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000452382878 354349456 /nfs/dbraw/zinc/34/94/56/354349456.db2.gz NKZRQSSHPFAAJG-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000452382878 354349460 /nfs/dbraw/zinc/34/94/60/354349460.db2.gz NKZRQSSHPFAAJG-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CC[NH+](CCO)CCOCCO ZINC000459801124 354387286 /nfs/dbraw/zinc/38/72/86/354387286.db2.gz XGTFLRFLDFGAPB-CYBMUJFWSA-N 2 1 260.378 -0.226 20 0 CBADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCO)CCOCCO ZINC000459801124 354387288 /nfs/dbraw/zinc/38/72/88/354387288.db2.gz XGTFLRFLDFGAPB-CYBMUJFWSA-N 2 1 260.378 -0.226 20 0 CBADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCO)CCOCCO ZINC000459801124 354387291 /nfs/dbraw/zinc/38/72/91/354387291.db2.gz XGTFLRFLDFGAPB-CYBMUJFWSA-N 2 1 260.378 -0.226 20 0 CBADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCO)CCOCCO ZINC000459801124 354387295 /nfs/dbraw/zinc/38/72/95/354387295.db2.gz XGTFLRFLDFGAPB-CYBMUJFWSA-N 2 1 260.378 -0.226 20 0 CBADMP C[NH+](C)CCOCCNC(=O)N1CCC[N@@H+](C)CC1 ZINC000471640893 354401753 /nfs/dbraw/zinc/40/17/53/354401753.db2.gz CELWEEZEXVUHKJ-UHFFFAOYSA-N 2 1 272.393 -0.088 20 0 CBADMP C[NH+](C)CCOCCNC(=O)N1CC[NH+](C)CC1 ZINC000471656957 354402540 /nfs/dbraw/zinc/40/25/40/354402540.db2.gz VIHWVUMQUXPUKW-UHFFFAOYSA-N 2 1 258.366 -0.478 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCOCC[NH+](C)C ZINC000487237216 354412925 /nfs/dbraw/zinc/41/29/25/354412925.db2.gz XWPBJUCBFSYDTH-RYUDHWBXSA-N 2 1 257.378 -0.122 20 0 CBADMP C[C@H](O)CN1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000487468600 354415726 /nfs/dbraw/zinc/41/57/26/354415726.db2.gz HANCIUPGOYEPOX-AVGNSLFASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000487468600 354415729 /nfs/dbraw/zinc/41/57/29/354415729.db2.gz HANCIUPGOYEPOX-AVGNSLFASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000487468600 354415733 /nfs/dbraw/zinc/41/57/33/354415733.db2.gz HANCIUPGOYEPOX-AVGNSLFASA-N 2 1 269.389 -0.291 20 0 CBADMP C[NH+](C)C/C=C/C(=O)NCC[N@H+]1CCCOCC1 ZINC000492016419 354464912 /nfs/dbraw/zinc/46/49/12/354464912.db2.gz OFTIKOUTLWFQPI-HWKANZROSA-N 2 1 255.362 -0.057 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000495147059 354498729 /nfs/dbraw/zinc/49/87/29/354498729.db2.gz NLCXNKLJFDYFDQ-IMRBUKKESA-N 2 1 266.389 -0.652 20 0 CBADMP 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 354556682 /nfs/dbraw/zinc/55/66/82/354556682.db2.gz XLQMFGUGCVZAPQ-QNWHQSFQSA-N 2 1 294.399 -0.642 20 0 CBADMP C[NH2+][C@@H](C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000519611452 354565309 /nfs/dbraw/zinc/56/53/09/354565309.db2.gz LHFMFNJHVXPTGU-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000529311277 354583921 /nfs/dbraw/zinc/58/39/21/354583921.db2.gz DHORVBCPQDZFGQ-IJLUTSLNSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)C[N@H+]1C1CC1 ZINC000529316832 354585105 /nfs/dbraw/zinc/58/51/05/354585105.db2.gz PLMSZLLITFHQKN-WOPDTQHZSA-N 2 1 282.388 -0.101 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000546591311 354653637 /nfs/dbraw/zinc/65/36/37/354653637.db2.gz ZQZLFFCETFMGCW-YPMHNXCESA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000546591311 354653639 /nfs/dbraw/zinc/65/36/39/354653639.db2.gz ZQZLFFCETFMGCW-YPMHNXCESA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000546591311 354653640 /nfs/dbraw/zinc/65/36/40/354653640.db2.gz ZQZLFFCETFMGCW-YPMHNXCESA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000557265146 354685802 /nfs/dbraw/zinc/68/58/02/354685802.db2.gz AFDKLHAZIAWMLM-GRYCIOLGSA-N 2 1 296.415 -0.443 20 0 CBADMP CC[N@H+](CCO)CCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000565195241 354731037 /nfs/dbraw/zinc/73/10/37/354731037.db2.gz NMWMCNAMLBIGGO-UHFFFAOYSA-N 2 1 257.378 -0.241 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000565195241 354731039 /nfs/dbraw/zinc/73/10/39/354731039.db2.gz NMWMCNAMLBIGGO-UHFFFAOYSA-N 2 1 257.378 -0.241 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000562795086 354688152 /nfs/dbraw/zinc/68/81/52/354688152.db2.gz YXILZUNAFIYZAA-MQYQWHSLSA-N 2 1 296.415 -0.140 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000562831824 354689262 /nfs/dbraw/zinc/68/92/62/354689262.db2.gz QKDNVESZOOOWNV-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCc2nnnn2CC1)C1CC1 ZINC000563008131 354691435 /nfs/dbraw/zinc/69/14/35/354691435.db2.gz SCEOIKWQAJPKLS-JQWIXIFHSA-N 2 1 280.376 -0.577 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCc2nnnn2CC1)C1CC1 ZINC000563008131 354691438 /nfs/dbraw/zinc/69/14/38/354691438.db2.gz SCEOIKWQAJPKLS-JQWIXIFHSA-N 2 1 280.376 -0.577 20 0 CBADMP C[N@@H+](CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000563055009 354693739 /nfs/dbraw/zinc/69/37/39/354693739.db2.gz JSENRXAWAAERHR-NSHDSACASA-N 2 1 292.387 -0.146 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000563109496 354697234 /nfs/dbraw/zinc/69/72/34/354697234.db2.gz HFYJELYTIGBBSQ-UONOGXRCSA-N 2 1 290.367 -0.067 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563154197 354699897 /nfs/dbraw/zinc/69/98/97/354699897.db2.gz SBPRZZKTWPBJQX-SNVBAGLBSA-N 2 1 284.360 -0.871 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563154197 354699899 /nfs/dbraw/zinc/69/98/99/354699899.db2.gz SBPRZZKTWPBJQX-SNVBAGLBSA-N 2 1 284.360 -0.871 20 0 CBADMP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000563150063 354699974 /nfs/dbraw/zinc/69/99/74/354699974.db2.gz XUJKQVBOCLJHOU-CHWSQXEVSA-N 3 1 266.389 -0.650 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000563150063 354699976 /nfs/dbraw/zinc/69/99/76/354699976.db2.gz XUJKQVBOCLJHOU-CHWSQXEVSA-N 3 1 266.389 -0.650 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563154631 354700178 /nfs/dbraw/zinc/70/01/78/354700178.db2.gz RKBOZVRUBVOKSS-VXGBXAGGSA-N 2 1 280.372 -0.140 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)CC2 ZINC000563248452 354704669 /nfs/dbraw/zinc/70/46/69/354704669.db2.gz BXYJEZIVNITMEV-DOMZBBRYSA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)CC2 ZINC000563248452 354704670 /nfs/dbraw/zinc/70/46/70/354704670.db2.gz BXYJEZIVNITMEV-DOMZBBRYSA-N 2 1 292.383 -0.063 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000563888678 354706994 /nfs/dbraw/zinc/70/69/94/354706994.db2.gz RLKNHYNVBDUCDZ-NEPJUHHUSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000563888678 354706996 /nfs/dbraw/zinc/70/69/96/354706996.db2.gz RLKNHYNVBDUCDZ-NEPJUHHUSA-N 2 1 283.372 -0.308 20 0 CBADMP CNC(=O)CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000564523362 354712845 /nfs/dbraw/zinc/71/28/45/354712845.db2.gz JKQRBDGELRSWTA-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CNC(=O)CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000564523362 354712846 /nfs/dbraw/zinc/71/28/46/354712846.db2.gz JKQRBDGELRSWTA-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000564456786 354712904 /nfs/dbraw/zinc/71/29/04/354712904.db2.gz ORYCOFVIUXDVGQ-NEPJUHHUSA-N 2 1 282.388 -0.687 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CC3CCOCC3)CCN2C1=O ZINC000565233710 354733793 /nfs/dbraw/zinc/73/37/93/354733793.db2.gz OXGCEKOEVFXQSS-RYUDHWBXSA-N 2 1 253.346 -0.343 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000565037914 354726346 /nfs/dbraw/zinc/72/63/46/354726346.db2.gz JNVJLLZXCHDQDN-UHFFFAOYSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000565774180 354745637 /nfs/dbraw/zinc/74/56/37/354745637.db2.gz XBACSBMQDDAZBO-LBPRGKRZSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000565774180 354745640 /nfs/dbraw/zinc/74/56/40/354745640.db2.gz XBACSBMQDDAZBO-LBPRGKRZSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000566053047 354752028 /nfs/dbraw/zinc/75/20/28/354752028.db2.gz WGKCJBQWDGAWAN-RDBSUJKOSA-N 2 1 298.431 -0.854 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)COC1CC[NH2+]CC1 ZINC000566185537 354754881 /nfs/dbraw/zinc/75/48/81/354754881.db2.gz KAIIMVBXAXHMDJ-UHFFFAOYSA-N 2 1 287.404 -0.161 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](O)C1CCOCC1)C1CC1 ZINC000566235728 354759105 /nfs/dbraw/zinc/75/91/05/354759105.db2.gz VLEWHHASXFLQEB-KBPBESRZSA-N 2 1 272.389 -0.181 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](O)C1CCOCC1)C1CC1 ZINC000566235728 354759107 /nfs/dbraw/zinc/75/91/07/354759107.db2.gz VLEWHHASXFLQEB-KBPBESRZSA-N 2 1 272.389 -0.181 20 0 CBADMP O=C(CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000566244876 354759164 /nfs/dbraw/zinc/75/91/64/354759164.db2.gz KDUOMYLLQBQETI-OAHLLOKOSA-N 3 1 280.416 -0.116 20 0 CBADMP O=C(CCN1CCC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000566244876 354759166 /nfs/dbraw/zinc/75/91/66/354759166.db2.gz KDUOMYLLQBQETI-OAHLLOKOSA-N 2 1 280.416 -0.116 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000566298003 354762557 /nfs/dbraw/zinc/76/25/57/354762557.db2.gz OOIMDMVVPDQDOY-HNNXBMFYSA-N 2 1 296.415 -0.203 20 0 CBADMP Cc1[nH+]ccn1CCC[NH2+][C@]1(C(N)=O)CCOC1 ZINC000566419222 354765078 /nfs/dbraw/zinc/76/50/78/354765078.db2.gz QGCRHKCYCRBDGA-GFCCVEGCSA-N 2 1 252.318 -0.184 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1(CO)CCOCC1 ZINC000566416743 354765212 /nfs/dbraw/zinc/76/52/12/354765212.db2.gz SUDZZHFLKNSCQA-GFCCVEGCSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1(CO)CCOCC1 ZINC000566416743 354765214 /nfs/dbraw/zinc/76/52/14/354765214.db2.gz SUDZZHFLKNSCQA-GFCCVEGCSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1(CO)CCOCC1 ZINC000566416743 354765217 /nfs/dbraw/zinc/76/52/17/354765217.db2.gz SUDZZHFLKNSCQA-GFCCVEGCSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1(CO)CCOCC1 ZINC000566416743 354765220 /nfs/dbraw/zinc/76/52/20/354765220.db2.gz SUDZZHFLKNSCQA-GFCCVEGCSA-N 2 1 260.378 -0.228 20 0 CBADMP Cc1[nH+]ccn1CCC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000566419223 354765532 /nfs/dbraw/zinc/76/55/32/354765532.db2.gz QGCRHKCYCRBDGA-LBPRGKRZSA-N 2 1 252.318 -0.184 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000566510015 354769890 /nfs/dbraw/zinc/76/98/90/354769890.db2.gz ZIOKEEBWPUHPFM-NWDGAFQWSA-N 2 1 270.377 -0.506 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000566512101 354770515 /nfs/dbraw/zinc/77/05/15/354770515.db2.gz GZLPOZTUZXKNEH-NSHDSACASA-N 2 1 268.361 -0.981 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000566512978 354770673 /nfs/dbraw/zinc/77/06/73/354770673.db2.gz RUUCOIJOHTVNJN-NWDGAFQWSA-N 2 1 282.388 -0.594 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000566618417 354772058 /nfs/dbraw/zinc/77/20/58/354772058.db2.gz KSOHRYQZUQZQMX-HZSPNIEDSA-N 2 1 298.431 -0.637 20 0 CBADMP CC[NH+]1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000566619163 354772074 /nfs/dbraw/zinc/77/20/74/354772074.db2.gz XVAHSFRXMPDVJQ-UHFFFAOYSA-N 2 1 266.349 -0.595 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000566855836 354776084 /nfs/dbraw/zinc/77/60/84/354776084.db2.gz DUBMHWQTOVPZII-UWVGGRQHSA-N 2 1 257.334 -0.665 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000566855836 354776087 /nfs/dbraw/zinc/77/60/87/354776087.db2.gz DUBMHWQTOVPZII-UWVGGRQHSA-N 2 1 257.334 -0.665 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000566855837 354776304 /nfs/dbraw/zinc/77/63/04/354776304.db2.gz DUBMHWQTOVPZII-VHSXEESVSA-N 2 1 257.334 -0.665 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000566855837 354776306 /nfs/dbraw/zinc/77/63/06/354776306.db2.gz DUBMHWQTOVPZII-VHSXEESVSA-N 2 1 257.334 -0.665 20 0 CBADMP O=C(C1CC[NH2+]CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000567165477 354782486 /nfs/dbraw/zinc/78/24/86/354782486.db2.gz BYKCHQQVYLWFQX-ZDUSSCGKSA-N 2 1 294.399 -0.591 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000567262421 354784212 /nfs/dbraw/zinc/78/42/12/354784212.db2.gz OAOXPKWFCHJEGB-GJZGRUSLSA-N 2 1 286.464 -0.085 20 0 CBADMP Cc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc(C)[nH+]1 ZINC000567368038 354786586 /nfs/dbraw/zinc/78/65/86/354786586.db2.gz KEFUSCSGALKYJJ-QWRGUYRKSA-N 2 1 261.329 -0.158 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000567504151 354789489 /nfs/dbraw/zinc/78/94/89/354789489.db2.gz CWEKQRBXXVNBPU-NSHDSACASA-N 2 1 280.376 -0.302 20 0 CBADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000565412418 354737366 /nfs/dbraw/zinc/73/73/66/354737366.db2.gz KTWAKDLBBBFEEI-KBPBESRZSA-N 2 1 295.431 -0.230 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NCC1CC[NH2+]CC1 ZINC000565529615 354739703 /nfs/dbraw/zinc/73/97/03/354739703.db2.gz RTBFTNRMVFSDID-UHFFFAOYSA-N 2 1 250.293 -0.121 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000565588830 354741291 /nfs/dbraw/zinc/74/12/91/354741291.db2.gz UEZSOEFYDAWHNW-LBPRGKRZSA-N 2 1 296.415 -0.441 20 0 CBADMP CC(C)[NH2+]CCC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000567819043 354798950 /nfs/dbraw/zinc/79/89/50/354798950.db2.gz LCZIIDSRCYPWMY-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000567825368 354799935 /nfs/dbraw/zinc/79/99/35/354799935.db2.gz MJWJQXANDVUTJL-UHFFFAOYSA-N 2 1 280.376 -0.207 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000567838137 354800049 /nfs/dbraw/zinc/80/00/49/354800049.db2.gz PCQLDZKWIUJSOE-RYUDHWBXSA-N 2 1 264.329 -0.472 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000567843256 354801001 /nfs/dbraw/zinc/80/10/01/354801001.db2.gz SAQHOHBIWDRESQ-VXGBXAGGSA-N 2 1 271.361 -0.717 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000567843256 354801002 /nfs/dbraw/zinc/80/10/02/354801002.db2.gz SAQHOHBIWDRESQ-VXGBXAGGSA-N 2 1 271.361 -0.717 20 0 CBADMP C[N@@H+](C[C@@H](O)CNC[C@@H]1CCCC[NH+]1CCO)C1CC1 ZINC000567872826 354801599 /nfs/dbraw/zinc/80/15/99/354801599.db2.gz IBHAWZXRWAWCNR-GJZGRUSLSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@@H](O)CNC[C@@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000567872826 354801601 /nfs/dbraw/zinc/80/16/01/354801601.db2.gz IBHAWZXRWAWCNR-GJZGRUSLSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@@H](O)CNC[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000567872826 354801604 /nfs/dbraw/zinc/80/16/04/354801604.db2.gz IBHAWZXRWAWCNR-GJZGRUSLSA-N 2 1 285.432 -0.122 20 0 CBADMP Cn1cc(C[C@@H](CO)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cn1 ZINC000567874708 354802395 /nfs/dbraw/zinc/80/23/95/354802395.db2.gz UKFPOTQQYDTIOQ-HIFRSBDPSA-N 2 1 296.415 -0.384 20 0 CBADMP Cn1cc(C[C@@H](CO)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000567874708 354802400 /nfs/dbraw/zinc/80/24/00/354802400.db2.gz UKFPOTQQYDTIOQ-HIFRSBDPSA-N 2 1 296.415 -0.384 20 0 CBADMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000567875426 354802715 /nfs/dbraw/zinc/80/27/15/354802715.db2.gz DQHRSUNOJGSADZ-HUUCEWRRSA-N 2 1 296.415 -0.074 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](C)CC1 ZINC000567892594 354803445 /nfs/dbraw/zinc/80/34/45/354803445.db2.gz UWAGYLZABZXINX-MCIONIFRSA-N 2 1 280.416 -0.025 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000567893093 354803653 /nfs/dbraw/zinc/80/36/53/354803653.db2.gz WAAYYGVRMCTRCB-NSHDSACASA-N 2 1 263.407 -0.143 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000567893093 354803654 /nfs/dbraw/zinc/80/36/54/354803654.db2.gz WAAYYGVRMCTRCB-NSHDSACASA-N 2 1 263.407 -0.143 20 0 CBADMP CCN(C)C(=O)CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000567899521 354804158 /nfs/dbraw/zinc/80/41/58/354804158.db2.gz BDXWHBODXKZOIM-UHFFFAOYSA-N 2 1 270.377 -0.782 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567975353 354806878 /nfs/dbraw/zinc/80/68/78/354806878.db2.gz RHFLVSKMGCRNRA-TUAOUCFPSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@@H]1[NH2+]CCN(CCC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000568271043 354820115 /nfs/dbraw/zinc/82/01/15/354820115.db2.gz TWERVASSCXGKBS-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H]1[NH2+]CCN(CCC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000568271040 354820204 /nfs/dbraw/zinc/82/02/04/354820204.db2.gz TWERVASSCXGKBS-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000568287255 354820596 /nfs/dbraw/zinc/82/05/96/354820596.db2.gz YIGPNONIVJHWND-GFCCVEGCSA-N 2 1 280.376 -0.351 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000568287255 354820601 /nfs/dbraw/zinc/82/06/01/354820601.db2.gz YIGPNONIVJHWND-GFCCVEGCSA-N 2 1 280.376 -0.351 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568296069 354821466 /nfs/dbraw/zinc/82/14/66/354821466.db2.gz YICVVANITBOGQS-UTUOFQBUSA-N 2 1 295.387 -0.966 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568296070 354821683 /nfs/dbraw/zinc/82/16/83/354821683.db2.gz YICVVANITBOGQS-WOPDTQHZSA-N 2 1 295.387 -0.966 20 0 CBADMP C[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)N1CC[NH+](C)CC1 ZINC000568514770 354826491 /nfs/dbraw/zinc/82/64/91/354826491.db2.gz SJWRFWOKLMMKPE-NXEZZACHSA-N 2 1 278.347 -0.279 20 0 CBADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000568609406 354827658 /nfs/dbraw/zinc/82/76/58/354827658.db2.gz YPIAKEBOFPRJPJ-OLZOCXBDSA-N 2 1 283.420 -0.374 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000567765525 354796380 /nfs/dbraw/zinc/79/63/80/354796380.db2.gz ZEYPWXIBHJJEDF-RWMBFGLXSA-N 2 1 296.415 -0.312 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000567780530 354797039 /nfs/dbraw/zinc/79/70/39/354797039.db2.gz XABTUIVAYHFPAH-JTQLQIEISA-N 2 1 257.334 -0.521 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000571031362 354876299 /nfs/dbraw/zinc/87/62/99/354876299.db2.gz IZYUNEXYCVOXMO-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CC[NH+](C)CC1 ZINC000571683547 354877679 /nfs/dbraw/zinc/87/76/79/354877679.db2.gz SUUSAPSZEUDOLB-RDBSUJKOSA-N 2 1 280.416 -0.167 20 0 CBADMP CCOCC[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000569095315 354838085 /nfs/dbraw/zinc/83/80/85/354838085.db2.gz NRTMGUUOCUEUGO-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000569243910 354840885 /nfs/dbraw/zinc/84/08/85/354840885.db2.gz FGTNFEODSVKDIQ-SDDRHHMPSA-N 2 1 255.362 -0.444 20 0 CBADMP CN(CCC[NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000569260252 354842283 /nfs/dbraw/zinc/84/22/83/354842283.db2.gz ONMBEZFMATWOPN-UHFFFAOYSA-N 2 1 285.392 -0.859 20 0 CBADMP COC[C@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000569725836 354845082 /nfs/dbraw/zinc/84/50/82/354845082.db2.gz GDQZOHXHRDYMDS-CYBMUJFWSA-N 2 1 272.389 -0.180 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000569967541 354851873 /nfs/dbraw/zinc/85/18/73/354851873.db2.gz UGPXHNUOUBKZGT-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CN1CC[C@H]([N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000570280675 354858494 /nfs/dbraw/zinc/85/84/94/354858494.db2.gz FAMZJYDIUUPXBU-STQMWFEESA-N 2 1 294.399 -0.639 20 0 CBADMP CCN(C)C(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570345007 354860393 /nfs/dbraw/zinc/86/03/93/354860393.db2.gz COVCZTFRHOQGPY-WDEREUQCSA-N 2 1 268.361 -0.901 20 0 CBADMP CCN(C)C(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570345007 354860394 /nfs/dbraw/zinc/86/03/94/354860394.db2.gz COVCZTFRHOQGPY-WDEREUQCSA-N 2 1 268.361 -0.901 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000570426621 354861157 /nfs/dbraw/zinc/86/11/57/354861157.db2.gz KSEXKMZVRKPQNL-LLVKDONJSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@@H](C(=O)NCCC[NH2+]C1CC1)N1CC[NH+](C)CC1 ZINC000570399997 354861232 /nfs/dbraw/zinc/86/12/32/354861232.db2.gz XYHGVVSAJNGKTJ-LBPRGKRZSA-N 2 1 268.405 -0.119 20 0 CBADMP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)CN1CCOCC1 ZINC000570444898 354861999 /nfs/dbraw/zinc/86/19/99/354861999.db2.gz ZLFPSKFQGPUTPP-OAHLLOKOSA-N 2 1 283.416 -0.104 20 0 CBADMP CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000571755555 354879163 /nfs/dbraw/zinc/87/91/63/354879163.db2.gz HAWRIJDGOZIRPR-JQWIXIFHSA-N 2 1 293.433 -0.641 20 0 CBADMP CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000571755555 354879167 /nfs/dbraw/zinc/87/91/67/354879167.db2.gz HAWRIJDGOZIRPR-JQWIXIFHSA-N 2 1 293.433 -0.641 20 0 CBADMP CN1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)[C@@H](C[NH3+])C1 ZINC000572134353 354887112 /nfs/dbraw/zinc/88/71/12/354887112.db2.gz HCCZGQYZFGFYDZ-NEPJUHHUSA-N 2 1 269.393 -0.635 20 0 CBADMP [NH3+]CC1(CC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000572155420 354888398 /nfs/dbraw/zinc/88/83/98/354888398.db2.gz IKKDKXLWQFKJTA-UHFFFAOYSA-N 2 1 255.362 -0.046 20 0 CBADMP CCC[N@@H+](CC)CCNC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000572235683 354889097 /nfs/dbraw/zinc/88/90/97/354889097.db2.gz FRMNGEGDKOKCJO-OAHLLOKOSA-N 2 1 286.464 -0.084 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000572494542 354891956 /nfs/dbraw/zinc/89/19/56/354891956.db2.gz YQLYEMSPDLFIGK-WOPDTQHZSA-N 2 1 257.378 -0.067 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000572499102 354893008 /nfs/dbraw/zinc/89/30/08/354893008.db2.gz SMEQJMNXMYFEHD-UHFFFAOYSA-N 2 1 272.393 -0.358 20 0 CBADMP COC[C@@H](O)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000572714588 354895331 /nfs/dbraw/zinc/89/53/31/354895331.db2.gz QHZTWIHKBQRCAS-LBPRGKRZSA-N 2 1 259.394 -0.391 20 0 CBADMP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000573241963 354908301 /nfs/dbraw/zinc/90/83/01/354908301.db2.gz WJBHHSXGTKWGGD-NEPJUHHUSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000573217024 354908372 /nfs/dbraw/zinc/90/83/72/354908372.db2.gz XRGKGWDAQXBKPP-GXSJLCMTSA-N 2 1 266.345 -0.604 20 0 CBADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000573308928 354910256 /nfs/dbraw/zinc/91/02/56/354910256.db2.gz UOMSFUHCHYOWIR-CYBMUJFWSA-N 2 1 283.420 -0.373 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000571778656 354880115 /nfs/dbraw/zinc/88/01/15/354880115.db2.gz PTTKCVVWCHWARS-RYUDHWBXSA-N 2 1 282.388 -0.687 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@]23CCNC3=O)CC1 ZINC000573711635 354919906 /nfs/dbraw/zinc/91/99/06/354919906.db2.gz UDRRKVRUCIUPKU-OAHLLOKOSA-N 2 1 294.399 -0.495 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@]23CCNC3=O)CC1 ZINC000573711635 354919909 /nfs/dbraw/zinc/91/99/09/354919909.db2.gz UDRRKVRUCIUPKU-OAHLLOKOSA-N 2 1 294.399 -0.495 20 0 CBADMP NC(=O)Cn1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)nn1 ZINC000573845517 354923083 /nfs/dbraw/zinc/92/30/83/354923083.db2.gz YLUIURYQHUNNCH-LBPRGKRZSA-N 2 1 292.387 -0.415 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1cnn(C)c1 ZINC000575400174 354935240 /nfs/dbraw/zinc/93/52/40/354935240.db2.gz RQJLICFIGYBCNX-WCQGTBRESA-N 2 1 265.361 -0.205 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)N[C@H]1CC[NH2+]C1 ZINC000578207308 354940450 /nfs/dbraw/zinc/94/04/50/354940450.db2.gz SGTDOSMWDZWOBC-NSHDSACASA-N 2 1 256.350 -0.630 20 0 CBADMP CSCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000578190843 354940543 /nfs/dbraw/zinc/94/05/43/354940543.db2.gz CLZAFCSPYGVDND-LLVKDONJSA-N 2 1 275.418 -0.095 20 0 CBADMP CSCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000578190843 354940547 /nfs/dbraw/zinc/94/05/47/354940547.db2.gz CLZAFCSPYGVDND-LLVKDONJSA-N 2 1 275.418 -0.095 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000578533309 354948746 /nfs/dbraw/zinc/94/87/46/354948746.db2.gz BQXWNXJQESSDAC-GFCCVEGCSA-N 3 1 272.393 -0.719 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000578638552 354950646 /nfs/dbraw/zinc/95/06/46/354950646.db2.gz LKYZTIREAQNZNL-NDBYEHHHSA-N 2 1 267.373 -0.097 20 0 CBADMP O=C(NC[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1)[C@H]1CCC[NH2+]1 ZINC000578770318 354954437 /nfs/dbraw/zinc/95/44/37/354954437.db2.gz PLAKQIFFFYOSNP-YNEHKIRRSA-N 2 1 294.399 -0.545 20 0 CBADMP CO[C@H]1CCN(CCC(=O)N2CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC000578867979 354956117 /nfs/dbraw/zinc/95/61/17/354956117.db2.gz JWEXCIQSSSISQJ-KGLIPLIRSA-N 3 1 298.431 -0.411 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000579474795 354971085 /nfs/dbraw/zinc/97/10/85/354971085.db2.gz OCUFXJGLPCQNLE-RYUDHWBXSA-N 2 1 254.378 -0.557 20 0 CBADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)Cn2cccn2)CC1(C)C ZINC000580064585 354987318 /nfs/dbraw/zinc/98/73/18/354987318.db2.gz LGFZRIWKBGBNQX-CQSZACIVSA-N 2 1 295.431 -0.140 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000584839040 355040093 /nfs/dbraw/zinc/04/00/93/355040093.db2.gz CRJLGLYRHLDWHY-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000582073159 355007510 /nfs/dbraw/zinc/00/75/10/355007510.db2.gz UXJICUOTBMHAJY-OLZOCXBDSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000583500315 355018057 /nfs/dbraw/zinc/01/80/57/355018057.db2.gz SZTNPFRYJUWVBV-DCAQKATOSA-N 2 1 282.388 -0.419 20 0 CBADMP COC[C@@](C)(O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000583495416 355018212 /nfs/dbraw/zinc/01/82/12/355018212.db2.gz DJLQNVDCKFJQKA-OLZOCXBDSA-N 2 1 260.378 -0.181 20 0 CBADMP COC[C@@](C)(O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000583495416 355018214 /nfs/dbraw/zinc/01/82/14/355018214.db2.gz DJLQNVDCKFJQKA-OLZOCXBDSA-N 2 1 260.378 -0.181 20 0 CBADMP O=C(NCC[N@@H+]1CC=CCC1)NC[C@@H]1C[NH2+]CCO1 ZINC000583683421 355021928 /nfs/dbraw/zinc/02/19/28/355021928.db2.gz QYUYIDHPCNSELF-LBPRGKRZSA-N 2 1 268.361 -0.464 20 0 CBADMP CCC[NH2+][C@H](C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000583992351 355026510 /nfs/dbraw/zinc/02/65/10/355026510.db2.gz GJDLEHJXIWNEMC-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591865374 355113998 /nfs/dbraw/zinc/11/39/98/355113998.db2.gz WWVLBYLFIVCNFN-GFCCVEGCSA-N 2 1 257.378 -0.025 20 0 CBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC000452980048 283082714 /nfs/dbraw/zinc/08/27/14/283082714.db2.gz VDNJWPARUORJKP-GRYCIOLGSA-N 2 1 253.346 -0.521 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC000452980048 283082717 /nfs/dbraw/zinc/08/27/17/283082717.db2.gz VDNJWPARUORJKP-GRYCIOLGSA-N 2 1 253.346 -0.521 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC000452980048 283082720 /nfs/dbraw/zinc/08/27/20/283082720.db2.gz VDNJWPARUORJKP-GRYCIOLGSA-N 2 1 253.346 -0.521 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC000452980048 283082723 /nfs/dbraw/zinc/08/27/23/283082723.db2.gz VDNJWPARUORJKP-GRYCIOLGSA-N 2 1 253.346 -0.521 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000594186031 355237867 /nfs/dbraw/zinc/23/78/67/355237867.db2.gz IANHWVXDQHAVNQ-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)C1=O ZINC000595890183 355314423 /nfs/dbraw/zinc/31/44/23/355314423.db2.gz ZGIGBTPSDSFMBQ-UTUOFQBUSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000595895750 355315814 /nfs/dbraw/zinc/31/58/14/355315814.db2.gz UKBZZVPXWRVOQM-SMDDNHRTSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000595895750 355315815 /nfs/dbraw/zinc/31/58/15/355315815.db2.gz UKBZZVPXWRVOQM-SMDDNHRTSA-N 2 1 283.372 -0.179 20 0 CBADMP NC(=O)NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900732 355315849 /nfs/dbraw/zinc/31/58/49/355315849.db2.gz JJAVWGSQFPCHMR-LLVKDONJSA-N 2 1 268.361 -0.107 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1C(=O)OC ZINC000595903732 355317041 /nfs/dbraw/zinc/31/70/41/355317041.db2.gz CUQLZDRWFAWJDU-RWMBFGLXSA-N 2 1 288.388 -0.143 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1C(=O)OC ZINC000595903732 355317043 /nfs/dbraw/zinc/31/70/43/355317043.db2.gz CUQLZDRWFAWJDU-RWMBFGLXSA-N 2 1 288.388 -0.143 20 0 CBADMP COC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595907021 355317625 /nfs/dbraw/zinc/31/76/25/355317625.db2.gz QSUZKDKMPRYPGW-JSGCOSHPSA-N 2 1 288.388 -0.047 20 0 CBADMP COC(=O)[C@@](C)(O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595907021 355317628 /nfs/dbraw/zinc/31/76/28/355317628.db2.gz QSUZKDKMPRYPGW-JSGCOSHPSA-N 2 1 288.388 -0.047 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000595958241 355328855 /nfs/dbraw/zinc/32/88/55/355328855.db2.gz ZGYGANAJTYXYIV-IJLUTSLNSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CCN1CCC[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000595293226 355279827 /nfs/dbraw/zinc/27/98/27/355279827.db2.gz HWQZTJNMMSMMDP-FRRDWIJNSA-N 2 1 295.383 -0.308 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000427472900 283100808 /nfs/dbraw/zinc/10/08/08/283100808.db2.gz SUJGKOZEPBYRLN-TZMCWYRMSA-N 2 1 267.373 -0.204 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000427472900 283100810 /nfs/dbraw/zinc/10/08/10/283100810.db2.gz SUJGKOZEPBYRLN-TZMCWYRMSA-N 2 1 267.373 -0.204 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)C1 ZINC000427472900 283100811 /nfs/dbraw/zinc/10/08/11/283100811.db2.gz SUJGKOZEPBYRLN-TZMCWYRMSA-N 2 1 267.373 -0.204 20 0 CBADMP CCn1nccc1CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000598681562 355450053 /nfs/dbraw/zinc/45/00/53/355450053.db2.gz GXFQJRQJFXJBNZ-OLZOCXBDSA-N 2 1 277.372 -0.311 20 0 CBADMP CCn1nccc1CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000598681562 355450055 /nfs/dbraw/zinc/45/00/55/355450055.db2.gz GXFQJRQJFXJBNZ-OLZOCXBDSA-N 2 1 277.372 -0.311 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[N@@H+](C)C1 ZINC000598793228 355455387 /nfs/dbraw/zinc/45/53/87/355455387.db2.gz XRNWOMKOKYBORR-CYBMUJFWSA-N 2 1 297.399 -0.109 20 0 CBADMP CC(C)CNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327416 355586524 /nfs/dbraw/zinc/58/65/24/355586524.db2.gz VUSFQEDUNMIPOF-GHMZBOCLSA-N 2 1 270.377 -0.005 20 0 CBADMP CC(C)CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327416 355586525 /nfs/dbraw/zinc/58/65/25/355586525.db2.gz VUSFQEDUNMIPOF-GHMZBOCLSA-N 2 1 270.377 -0.005 20 0 CBADMP COC(=O)CCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000600712592 355562824 /nfs/dbraw/zinc/56/28/24/355562824.db2.gz YTGCWGVJKFRJLD-MNOVXSKESA-N 2 1 271.361 -0.214 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600748432 355565211 /nfs/dbraw/zinc/56/52/11/355565211.db2.gz MQMMCCLEBVPUKO-BETUJISGSA-N 2 1 268.361 -0.237 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600748432 355565213 /nfs/dbraw/zinc/56/52/13/355565213.db2.gz MQMMCCLEBVPUKO-BETUJISGSA-N 2 1 268.361 -0.237 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000600950051 355571388 /nfs/dbraw/zinc/57/13/88/355571388.db2.gz JUZNXXVTJSLVAF-ZDUSSCGKSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000600950051 355571391 /nfs/dbraw/zinc/57/13/91/355571391.db2.gz JUZNXXVTJSLVAF-ZDUSSCGKSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+](C)[C@@H](CNC(=O)CN1CC[NH+](C)CC1)C1CC1 ZINC000600962349 355572240 /nfs/dbraw/zinc/57/22/40/355572240.db2.gz VPGLYJZNNNEYMU-ZDUSSCGKSA-N 2 1 268.405 -0.310 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000600970530 355572473 /nfs/dbraw/zinc/57/24/73/355572473.db2.gz YKISRMXCSDIPPI-GFCCVEGCSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000600970530 355572478 /nfs/dbraw/zinc/57/24/78/355572478.db2.gz YKISRMXCSDIPPI-GFCCVEGCSA-N 2 1 266.389 -0.413 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCC[NH+](C)C ZINC000601208730 355580644 /nfs/dbraw/zinc/58/06/44/355580644.db2.gz ZTZCSUVMPQXPCF-LBPRGKRZSA-N 2 1 271.409 -0.517 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000602493103 355653940 /nfs/dbraw/zinc/65/39/40/355653940.db2.gz NKZORKCODBDHJM-RYUDHWBXSA-N 2 1 283.372 -0.166 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000430695279 283113620 /nfs/dbraw/zinc/11/36/20/283113620.db2.gz MPAKNIYRVWKMMR-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H]1CC[C@H](C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)O1 ZINC000601965195 355621733 /nfs/dbraw/zinc/62/17/33/355621733.db2.gz WQDVBOPRCJWVQN-KXNHARMFSA-N 2 1 253.346 -0.202 20 0 CBADMP C[C@@H]1CC[C@H](C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)O1 ZINC000601965195 355621735 /nfs/dbraw/zinc/62/17/35/355621735.db2.gz WQDVBOPRCJWVQN-KXNHARMFSA-N 2 1 253.346 -0.202 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+](C)C1 ZINC000602164646 355637123 /nfs/dbraw/zinc/63/71/23/355637123.db2.gz VZCOGJVIEKJJHX-STQMWFEESA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+](C)C1 ZINC000602164646 355637125 /nfs/dbraw/zinc/63/71/25/355637125.db2.gz VZCOGJVIEKJJHX-STQMWFEESA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+](C)C1 ZINC000602164646 355637126 /nfs/dbraw/zinc/63/71/26/355637126.db2.gz VZCOGJVIEKJJHX-STQMWFEESA-N 2 1 297.399 -0.109 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)Cn1cc(CSCC[NH3+])nn1 ZINC000603262490 355702171 /nfs/dbraw/zinc/70/21/71/355702171.db2.gz WLLQPTKTDVTWFR-LLVKDONJSA-N 2 1 273.406 -0.217 20 0 CBADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603434883 355716052 /nfs/dbraw/zinc/71/60/52/355716052.db2.gz UFYZNDPBLXZHMH-RKDXNWHRSA-N 2 1 256.350 -0.062 20 0 CBADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000603435753 355716165 /nfs/dbraw/zinc/71/61/65/355716165.db2.gz ZDMMKFSUOYKGQF-BDAKNGLRSA-N 2 1 254.334 -0.310 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602893397 355681192 /nfs/dbraw/zinc/68/11/92/355681192.db2.gz VOQTVMLAPMAKBV-CYBMUJFWSA-N 2 1 286.376 -0.779 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602893397 355681195 /nfs/dbraw/zinc/68/11/95/355681195.db2.gz VOQTVMLAPMAKBV-CYBMUJFWSA-N 2 1 286.376 -0.779 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602893398 355681502 /nfs/dbraw/zinc/68/15/02/355681502.db2.gz VOQTVMLAPMAKBV-ZDUSSCGKSA-N 2 1 286.376 -0.779 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602893398 355681504 /nfs/dbraw/zinc/68/15/04/355681504.db2.gz VOQTVMLAPMAKBV-ZDUSSCGKSA-N 2 1 286.376 -0.779 20 0 CBADMP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000607151006 355746518 /nfs/dbraw/zinc/74/65/18/355746518.db2.gz ZSTUQNQBBGCBPG-NMWPEEMBSA-N 3 1 264.417 -0.321 20 0 CBADMP C[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604606229 355726939 /nfs/dbraw/zinc/72/69/39/355726939.db2.gz JAOJVBGQHKOLCS-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP C[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604606229 355726941 /nfs/dbraw/zinc/72/69/41/355726941.db2.gz JAOJVBGQHKOLCS-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612879553 355854246 /nfs/dbraw/zinc/85/42/46/355854246.db2.gz ZMFLIWZUDJJQTL-OCCSQVGLSA-N 2 1 283.420 -0.327 20 0 CBADMP C[C@@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000612887601 355854750 /nfs/dbraw/zinc/85/47/50/355854750.db2.gz QREZKGDAPIXEDN-ZFWWWQNUSA-N 2 1 297.447 -0.079 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612881186 355854915 /nfs/dbraw/zinc/85/49/15/355854915.db2.gz ZCWFOJLJXKIHHK-AAEUAGOBSA-N 2 1 269.393 -0.717 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000615509997 356036716 /nfs/dbraw/zinc/03/67/16/356036716.db2.gz VZFSRTROINUKQM-GFCCVEGCSA-N 2 1 255.362 -0.273 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000615509997 356036720 /nfs/dbraw/zinc/03/67/20/356036720.db2.gz VZFSRTROINUKQM-GFCCVEGCSA-N 2 1 255.362 -0.273 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)NC(N)=O ZINC000617503732 356139119 /nfs/dbraw/zinc/13/91/19/356139119.db2.gz WOJYFFRVQBTMTB-QWRGUYRKSA-N 2 1 287.408 -0.569 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)NC(N)=O ZINC000617503732 356139123 /nfs/dbraw/zinc/13/91/23/356139123.db2.gz WOJYFFRVQBTMTB-QWRGUYRKSA-N 2 1 287.408 -0.569 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(O)CCOC1 ZINC000617502372 356139383 /nfs/dbraw/zinc/13/93/83/356139383.db2.gz MYRKYCNFWZAIEO-JSGCOSHPSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(O)CCOC1 ZINC000617502372 356139385 /nfs/dbraw/zinc/13/93/85/356139385.db2.gz MYRKYCNFWZAIEO-JSGCOSHPSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCNC1=O ZINC000617502376 356139425 /nfs/dbraw/zinc/13/94/25/356139425.db2.gz NDDXLZLSOSWDMP-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCNC1=O ZINC000617502376 356139431 /nfs/dbraw/zinc/13/94/31/356139431.db2.gz NDDXLZLSOSWDMP-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ncn(C)n1 ZINC000617508018 356139612 /nfs/dbraw/zinc/13/96/12/356139612.db2.gz RTWSUYUQPLRJIJ-NSHDSACASA-N 2 1 282.392 -0.183 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ncn(C)n1 ZINC000617508018 356139615 /nfs/dbraw/zinc/13/96/15/356139615.db2.gz RTWSUYUQPLRJIJ-NSHDSACASA-N 2 1 282.392 -0.183 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(O)CCOC1 ZINC000617502371 356139739 /nfs/dbraw/zinc/13/97/39/356139739.db2.gz MYRKYCNFWZAIEO-GXTWGEPZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(O)CCOC1 ZINC000617502371 356139740 /nfs/dbraw/zinc/13/97/40/356139740.db2.gz MYRKYCNFWZAIEO-GXTWGEPZSA-N 2 1 287.404 -0.474 20 0 CBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1C ZINC000618305866 356185704 /nfs/dbraw/zinc/18/57/04/356185704.db2.gz KGGNGEORBXYYHT-GFCCVEGCSA-N 2 1 284.404 -0.441 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CC(N)=O)C1 ZINC000621295292 356267424 /nfs/dbraw/zinc/26/74/24/356267424.db2.gz CYDDITNLXUKMQK-RYUDHWBXSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CC(N)=O)C1 ZINC000621295292 356267428 /nfs/dbraw/zinc/26/74/28/356267428.db2.gz CYDDITNLXUKMQK-RYUDHWBXSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000621295292 356267430 /nfs/dbraw/zinc/26/74/30/356267430.db2.gz CYDDITNLXUKMQK-RYUDHWBXSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000621295292 356267432 /nfs/dbraw/zinc/26/74/32/356267432.db2.gz CYDDITNLXUKMQK-RYUDHWBXSA-N 2 1 257.378 -0.115 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000620478633 356244693 /nfs/dbraw/zinc/24/46/93/356244693.db2.gz ZRTXEJCCZGZDBF-OCCSQVGLSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000620478633 356244698 /nfs/dbraw/zinc/24/46/98/356244698.db2.gz ZRTXEJCCZGZDBF-OCCSQVGLSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000620478633 356244703 /nfs/dbraw/zinc/24/47/03/356244703.db2.gz ZRTXEJCCZGZDBF-OCCSQVGLSA-N 2 1 281.400 -0.004 20 0 CBADMP CCn1nccc1CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000621774516 356283350 /nfs/dbraw/zinc/28/33/50/356283350.db2.gz WCEAKLZPEDNGEO-UHFFFAOYSA-N 2 1 279.388 -0.191 20 0 CBADMP CCn1nccc1CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000621774516 356283355 /nfs/dbraw/zinc/28/33/55/356283355.db2.gz WCEAKLZPEDNGEO-UHFFFAOYSA-N 2 1 279.388 -0.191 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623503152 356366453 /nfs/dbraw/zinc/36/64/53/356366453.db2.gz NQQJTOKIRZZYPN-SNVBAGLBSA-N 2 1 263.407 -0.002 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503152 356366456 /nfs/dbraw/zinc/36/64/56/356366456.db2.gz NQQJTOKIRZZYPN-SNVBAGLBSA-N 2 1 263.407 -0.002 20 0 CBADMP C[NH+](C)[C@H]1CCCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000624157999 356400040 /nfs/dbraw/zinc/40/00/40/356400040.db2.gz JCNZAPQFAMOOGE-QMMMGPOBSA-N 2 1 251.338 -0.383 20 0 CBADMP Nc1nc(NCCC[N@H+]2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000623847046 356378909 /nfs/dbraw/zinc/37/89/09/356378909.db2.gz CJZAEFBBRBHNTB-UHFFFAOYSA-N 2 1 299.382 -0.021 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)c2nc(N)[nH+]c(N)n2)[C@@H](C)C1 ZINC000623991416 356386846 /nfs/dbraw/zinc/38/68/46/356386846.db2.gz HCAOEBNALRBSSK-IUCAKERBSA-N 2 1 265.365 -0.137 20 0 CBADMP C[N@H+]1C[C@@H](CNc2nc(N)[nH+]c(N)n2)[C@H](c2ccccc2)C1 ZINC000624331339 356412441 /nfs/dbraw/zinc/41/24/41/356412441.db2.gz WYFNNBBKNNXPKO-NEPJUHHUSA-N 2 1 299.382 -0.124 20 0 CBADMP C[N@@H+]1C[C@@H](CNc2nc(N)nc(N)[nH+]2)[C@H](c2ccccc2)C1 ZINC000624331339 356412446 /nfs/dbraw/zinc/41/24/46/356412446.db2.gz WYFNNBBKNNXPKO-NEPJUHHUSA-N 2 1 299.382 -0.124 20 0 CBADMP C[N@H+]1C[C@@H](CNc2nc(N)nc(N)[nH+]2)[C@H](c2ccccc2)C1 ZINC000624331339 356412449 /nfs/dbraw/zinc/41/24/49/356412449.db2.gz WYFNNBBKNNXPKO-NEPJUHHUSA-N 2 1 299.382 -0.124 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624384299 356415566 /nfs/dbraw/zinc/41/55/66/356415566.db2.gz MPMUYGXNIFRUCB-QMMMGPOBSA-N 2 1 265.365 -0.349 20 0 CBADMP CC(C)(C)[N@@H+]1CC[C@@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624384299 356415570 /nfs/dbraw/zinc/41/55/70/356415570.db2.gz MPMUYGXNIFRUCB-QMMMGPOBSA-N 2 1 265.365 -0.349 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624384299 356415573 /nfs/dbraw/zinc/41/55/73/356415573.db2.gz MPMUYGXNIFRUCB-QMMMGPOBSA-N 2 1 265.365 -0.349 20 0 CBADMP Nc1nc(N[C@H]2CC[N@H+](C3CCCCC3)C2)nc(N)[nH+]1 ZINC000624399491 356418349 /nfs/dbraw/zinc/41/83/49/356418349.db2.gz NPTPPJGHRCOIKL-VIFPVBQESA-N 2 1 277.376 -0.062 20 0 CBADMP Nc1nc(NC[C@@H]2CC[N@H+]2C2CCCCC2)nc(N)[nH+]1 ZINC000624492295 356423561 /nfs/dbraw/zinc/42/35/61/356423561.db2.gz HAGXJZKXCNSKEX-JTQLQIEISA-N 2 1 277.376 -0.062 20 0 CBADMP CN(c1nc(N)[nH+]c(N)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000624213428 356405151 /nfs/dbraw/zinc/40/51/51/356405151.db2.gz CMASECIEJKGFDS-JVHMLUBASA-N 2 1 263.349 -0.242 20 0 CBADMP CC[N@H+](CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC000626486438 356534842 /nfs/dbraw/zinc/53/48/42/356534842.db2.gz XGXQGRBEJQHKNP-UHFFFAOYSA-N 2 1 254.334 -0.378 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC000626486438 356534847 /nfs/dbraw/zinc/53/48/47/356534847.db2.gz XGXQGRBEJQHKNP-UHFFFAOYSA-N 2 1 254.334 -0.378 20 0 CBADMP CCN(CC[NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000626917683 356556356 /nfs/dbraw/zinc/55/63/56/356556356.db2.gz KPAZHIPNIBEOOF-UHFFFAOYSA-N 2 1 258.366 -0.301 20 0 CBADMP C[C@H](CNC(=O)NC[C@H]1COCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000626969969 356560621 /nfs/dbraw/zinc/56/06/21/356560621.db2.gz IVJHFZLNNFHFRM-MNOVXSKESA-N 2 1 270.377 -0.243 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626965694 356560832 /nfs/dbraw/zinc/56/08/32/356560832.db2.gz KVBJIGKCFFOZPI-UHFFFAOYSA-N 2 1 288.392 -0.628 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000626975149 356561471 /nfs/dbraw/zinc/56/14/71/356561471.db2.gz QPRXUEJIBIJCPF-RWMBFGLXSA-N 2 1 283.420 -0.328 20 0 CBADMP CN(CCOCC[NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000626975728 356561622 /nfs/dbraw/zinc/56/16/22/356561622.db2.gz CEPMDYCJAUXJBN-UHFFFAOYSA-N 2 1 258.366 -0.303 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000626974092 356561904 /nfs/dbraw/zinc/56/19/04/356561904.db2.gz DBHXKNCKVBZAQL-SDDRHHMPSA-N 2 1 269.393 -0.718 20 0 CBADMP C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000627003977 356565626 /nfs/dbraw/zinc/56/56/26/356565626.db2.gz XRQNKJCIZCXPAK-IRCOFANPSA-N 2 1 270.377 -0.245 20 0 CBADMP C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000627003977 356565628 /nfs/dbraw/zinc/56/56/28/356565628.db2.gz XRQNKJCIZCXPAK-IRCOFANPSA-N 2 1 270.377 -0.245 20 0 CBADMP C[C@H](NC(=O)NCCOCCC[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000627004083 356565970 /nfs/dbraw/zinc/56/59/70/356565970.db2.gz ZNUSOCFIZSVNNJ-RYUDHWBXSA-N 2 1 288.392 -0.630 20 0 CBADMP C[C@H](NC(=O)NCCOCCC[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000627004083 356565975 /nfs/dbraw/zinc/56/59/75/356565975.db2.gz ZNUSOCFIZSVNNJ-RYUDHWBXSA-N 2 1 288.392 -0.630 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCOCCC[NH3+])C1 ZINC000626982611 356563187 /nfs/dbraw/zinc/56/31/87/356563187.db2.gz NGCSDMCVRBJHNA-GFCCVEGCSA-N 2 1 288.392 -0.628 20 0 CBADMP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000626983140 356563403 /nfs/dbraw/zinc/56/34/03/356563403.db2.gz CLYSCGXHQARYHE-VXGBXAGGSA-N 2 1 270.377 -0.384 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627157114 356590291 /nfs/dbraw/zinc/59/02/91/356590291.db2.gz OCYHVHHOUPKJMH-GRYCIOLGSA-N 2 1 270.377 -0.507 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000627157969 356591027 /nfs/dbraw/zinc/59/10/27/356591027.db2.gz GAUKBMBFNOQHCQ-QNWHQSFQSA-N 2 1 282.388 -0.413 20 0 CBADMP C[NH2+]CCOCCNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000627172009 356593405 /nfs/dbraw/zinc/59/34/05/356593405.db2.gz PJUZPJBXEHOAFO-TXEJJXNPSA-N 2 1 272.393 -0.044 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H]1CCC[NH2+]C1 ZINC000627075870 356574347 /nfs/dbraw/zinc/57/43/47/356574347.db2.gz PHHBAIWFTXMBEA-WDEREUQCSA-N 2 1 256.350 -0.896 20 0 CBADMP [NH3+]C1CCC(NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000627077082 356575649 /nfs/dbraw/zinc/57/56/49/356575649.db2.gz RUKGKDYGCWDGMJ-MCIGGMRASA-N 2 1 270.377 -0.378 20 0 CBADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627079922 356576433 /nfs/dbraw/zinc/57/64/33/356576433.db2.gz XXWMQRMDIMYZPC-XQQFMLRXSA-N 2 1 284.404 -0.130 20 0 CBADMP [NH3+]C[C@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000627079836 356576829 /nfs/dbraw/zinc/57/68/29/356576829.db2.gz XPZNKERJXMOYPK-QWRGUYRKSA-N 2 1 256.350 -0.911 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCC1=CC[NH2+]CC1 ZINC000627084346 356578306 /nfs/dbraw/zinc/57/83/06/356578306.db2.gz HJJQALMNTSAEFG-GFCCVEGCSA-N 2 1 268.361 -0.728 20 0 CBADMP C[C@]1(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)CCC[NH2+]C1 ZINC000627084095 356578352 /nfs/dbraw/zinc/57/83/52/356578352.db2.gz OFRQPXKLVOSCRB-OCCSQVGLSA-N 2 1 284.404 -0.258 20 0 CBADMP [NH3+]CCCOCCNC(=O)NCC(F)(F)C[NH3+] ZINC000627084314 356578521 /nfs/dbraw/zinc/57/85/21/356578521.db2.gz HFAVJXVLJJRZEM-UHFFFAOYSA-N 2 1 254.281 -0.755 20 0 CBADMP CN1CCOC[C@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000627084960 356578919 /nfs/dbraw/zinc/57/89/19/356578919.db2.gz QDQMSYSYYMGUEH-MRVPVSSYSA-N 2 1 266.292 -0.790 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000627087423 356579741 /nfs/dbraw/zinc/57/97/41/356579741.db2.gz JMKHLAFQSNDUKZ-UTUOFQBUSA-N 2 1 270.377 -0.378 20 0 CBADMP C[C@@H](CCC[NH3+])NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627096639 356582870 /nfs/dbraw/zinc/58/28/70/356582870.db2.gz XPWMIVYSSOCIIG-WDEREUQCSA-N 2 1 258.366 -0.520 20 0 CBADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000627103945 356583815 /nfs/dbraw/zinc/58/38/15/356583815.db2.gz XWZKPBWHVCBKOJ-WOPDTQHZSA-N 2 1 270.377 -0.520 20 0 CBADMP [NH3+]CC1(CCNC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000627109847 356585285 /nfs/dbraw/zinc/58/52/85/356585285.db2.gz OPMGDEHUNACTFI-NSHDSACASA-N 2 1 270.377 -0.519 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000627135063 356587624 /nfs/dbraw/zinc/58/76/24/356587624.db2.gz MJIROZUILFDCIQ-VXGBXAGGSA-N 2 1 270.377 -0.160 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000627134870 356587676 /nfs/dbraw/zinc/58/76/76/356587676.db2.gz FHCTWZZUVXLIQV-MNOVXSKESA-N 2 1 256.350 -0.550 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000627226037 356609672 /nfs/dbraw/zinc/60/96/72/356609672.db2.gz FHCTWZZUVXLIQV-WDEREUQCSA-N 2 1 256.350 -0.550 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000627226510 356609833 /nfs/dbraw/zinc/60/98/33/356609833.db2.gz MJIROZUILFDCIQ-RYUDHWBXSA-N 2 1 270.377 -0.160 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627243750 356610959 /nfs/dbraw/zinc/61/09/59/356610959.db2.gz TZXDEDCIWFAHSK-SDDRHHMPSA-N 2 1 270.377 -0.555 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000627248427 356612285 /nfs/dbraw/zinc/61/22/85/356612285.db2.gz GUFDGSSMRSPWOG-KGLIPLIRSA-N 2 1 295.431 -0.230 20 0 CBADMP CC[NH+]1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627209178 356605796 /nfs/dbraw/zinc/60/57/96/356605796.db2.gz OTGJDEDWBDPWFO-UHFFFAOYSA-N 2 1 258.366 -0.301 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627210902 356606004 /nfs/dbraw/zinc/60/60/04/356606004.db2.gz XNEXIRVCYPSOJE-MROQNXINSA-N 2 1 282.388 -0.413 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000627349491 356630361 /nfs/dbraw/zinc/63/03/61/356630361.db2.gz PLRCRSVTTIZWNH-MNOVXSKESA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[N@H+]1C1CC1 ZINC000627349794 356630652 /nfs/dbraw/zinc/63/06/52/356630652.db2.gz ZJHDILZHZVKPIS-MPPDQPJWSA-N 2 1 294.399 -0.406 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000627349573 356631059 /nfs/dbraw/zinc/63/10/59/356631059.db2.gz SCPYJLAAXYTQPN-PWSUYJOCSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627372144 356635152 /nfs/dbraw/zinc/63/51/52/356635152.db2.gz CZZPURQYMBXDSM-YNEHKIRRSA-N 2 1 296.415 -0.156 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627268902 356617917 /nfs/dbraw/zinc/61/79/17/356617917.db2.gz JTKMXIVNCGLSCK-QWHCGFSZSA-N 2 1 278.356 -0.141 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627268902 356617919 /nfs/dbraw/zinc/61/79/19/356617919.db2.gz JTKMXIVNCGLSCK-QWHCGFSZSA-N 2 1 278.356 -0.141 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000627290245 356621125 /nfs/dbraw/zinc/62/11/25/356621125.db2.gz JCLJJTKCCZHLLN-GHMZBOCLSA-N 2 1 294.355 -0.523 20 0 CBADMP 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 356622499 /nfs/dbraw/zinc/62/24/99/356622499.db2.gz DZEJIAVPZJILGW-NDBYEHHHSA-N 2 1 296.415 -0.158 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000627305299 356623104 /nfs/dbraw/zinc/62/31/04/356623104.db2.gz UGXYBTPQFNTOJY-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000627305248 356623123 /nfs/dbraw/zinc/62/31/23/356623123.db2.gz RYLVCCKWHKDCNM-NNYUYHANSA-N 2 1 282.388 -0.548 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000627305247 356623499 /nfs/dbraw/zinc/62/34/99/356623499.db2.gz RYLVCCKWHKDCNM-FIQHERPVSA-N 2 1 282.388 -0.548 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000627423446 356643738 /nfs/dbraw/zinc/64/37/38/356643738.db2.gz NSMZCOBQAFJUND-UHFFFAOYSA-N 2 1 286.420 -0.112 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627429002 356645541 /nfs/dbraw/zinc/64/55/41/356645541.db2.gz USFAKOWCTADMQI-QJPTWQEYSA-N 2 1 282.388 -0.547 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506979 356661702 /nfs/dbraw/zinc/66/17/02/356661702.db2.gz UOMKXYSAZLFTIG-SNVBAGLBSA-N 2 1 268.361 -0.983 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C[NH2+]1 ZINC000627476711 356653393 /nfs/dbraw/zinc/65/33/93/356653393.db2.gz JYVNWWKDGXMRCF-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C[NH2+]1 ZINC000627477065 356653451 /nfs/dbraw/zinc/65/34/51/356653451.db2.gz QOBQURFBEUCBMM-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627484268 356655579 /nfs/dbraw/zinc/65/55/79/356655579.db2.gz VELBKBBGLCUGSA-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627498110 356657397 /nfs/dbraw/zinc/65/73/97/356657397.db2.gz IXURXYTUFGCIFR-RWMBFGLXSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000627499248 356658012 /nfs/dbraw/zinc/65/80/12/356658012.db2.gz DUDSENBYVZSCMG-WUHRBBMRSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000627499247 356658045 /nfs/dbraw/zinc/65/80/45/356658045.db2.gz DUDSENBYVZSCMG-UMSGYPCISA-N 2 1 294.399 -0.594 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627502318 356659093 /nfs/dbraw/zinc/65/90/93/356659093.db2.gz RVNKXWNWFRWRIJ-YNEHKIRRSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000627502684 356659163 /nfs/dbraw/zinc/65/91/63/356659163.db2.gz IHNKJLVVYLVCQH-WCQYABFASA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627504125 356660120 /nfs/dbraw/zinc/66/01/20/356660120.db2.gz WTZBHCZQZJRXMY-JHJVBQTASA-N 2 1 294.399 -0.593 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000627651176 356667591 /nfs/dbraw/zinc/66/75/91/356667591.db2.gz HZLCQKJHLBKGTC-XQHKEYJVSA-N 2 1 267.373 -0.275 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000627651176 356667594 /nfs/dbraw/zinc/66/75/94/356667594.db2.gz HZLCQKJHLBKGTC-XQHKEYJVSA-N 2 1 267.373 -0.275 20 0 CBADMP C[C@@H]1COCCN1CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629560859 356779235 /nfs/dbraw/zinc/77/92/35/356779235.db2.gz YHUCPEDSDUAFEK-ZIAGYGMSSA-N 2 1 271.405 -0.247 20 0 CBADMP C[C@@H]1COCCN1CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629560853 356779629 /nfs/dbraw/zinc/77/96/29/356779629.db2.gz YHUCPEDSDUAFEK-KGLIPLIRSA-N 2 1 271.405 -0.247 20 0 CBADMP CCN(CC[NH3+])[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000629557185 356779677 /nfs/dbraw/zinc/77/96/77/356779677.db2.gz WXPWSIACHHLGQJ-GFCCVEGCSA-N 2 1 256.394 -0.180 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629169187 356751262 /nfs/dbraw/zinc/75/12/62/356751262.db2.gz OXGSERYWOANLSA-LLVKDONJSA-N 2 1 252.318 -0.626 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629169187 356751264 /nfs/dbraw/zinc/75/12/64/356751264.db2.gz OXGSERYWOANLSA-LLVKDONJSA-N 2 1 252.318 -0.626 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH+]1CC[C@@H](O)C1)[C@@H]1CCSC1 ZINC000629173361 356752547 /nfs/dbraw/zinc/75/25/47/356752547.db2.gz LLWWJOFYMKRQSU-VXGBXAGGSA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH+](CC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCSC1 ZINC000629173361 356752550 /nfs/dbraw/zinc/75/25/50/356752550.db2.gz LLWWJOFYMKRQSU-VXGBXAGGSA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH+](CC(=O)NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCSC1 ZINC000629173361 356752552 /nfs/dbraw/zinc/75/25/52/356752552.db2.gz LLWWJOFYMKRQSU-VXGBXAGGSA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000629572543 356780379 /nfs/dbraw/zinc/78/03/79/356780379.db2.gz WMWOJJIQFUZZJF-ZDUSSCGKSA-N 2 1 259.394 -0.125 20 0 CBADMP O=C1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CN1C1CC1 ZINC000629566074 356780813 /nfs/dbraw/zinc/78/08/13/356780813.db2.gz SBGMKBTXKOLSHW-DGCLKSJQSA-N 2 1 267.373 -0.204 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000629569058 356780965 /nfs/dbraw/zinc/78/09/65/356780965.db2.gz ACIDOKVJIOZPRC-ZDUSSCGKSA-N 2 1 295.387 -0.307 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000629569058 356780967 /nfs/dbraw/zinc/78/09/67/356780967.db2.gz ACIDOKVJIOZPRC-ZDUSSCGKSA-N 2 1 295.387 -0.307 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000629571207 356780975 /nfs/dbraw/zinc/78/09/75/356780975.db2.gz JCCLAFWTXDDVJZ-UHFFFAOYSA-N 2 1 273.377 -0.597 20 0 CBADMP CC(C)(C)CNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000629510699 356775129 /nfs/dbraw/zinc/77/51/29/356775129.db2.gz DUMCFFCQAIXZEA-LBPRGKRZSA-N 2 1 298.431 -0.064 20 0 CBADMP Nc1ncccc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000629513740 356776062 /nfs/dbraw/zinc/77/60/62/356776062.db2.gz VCHWAPDSQGEWKQ-LBPRGKRZSA-N 2 1 277.372 -0.049 20 0 CBADMP C[N@@H+](C[C@H](O)CNCC[NH+]1CC[C@H](O)C1)C1CC1 ZINC000629618011 356788221 /nfs/dbraw/zinc/78/82/21/356788221.db2.gz RWEAJSWVRXJDID-QWHCGFSZSA-N 2 1 257.378 -0.902 20 0 CBADMP C[NH+](C[C@H](O)CNCC[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000629618011 356788225 /nfs/dbraw/zinc/78/82/25/356788225.db2.gz RWEAJSWVRXJDID-QWHCGFSZSA-N 2 1 257.378 -0.902 20 0 CBADMP C[NH+](C[C@H](O)CNCC[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000629618011 356788230 /nfs/dbraw/zinc/78/82/30/356788230.db2.gz RWEAJSWVRXJDID-QWHCGFSZSA-N 2 1 257.378 -0.902 20 0 CBADMP CCOC[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629656289 356788659 /nfs/dbraw/zinc/78/86/59/356788659.db2.gz PCJBBXBJILUMHK-KGLIPLIRSA-N 2 1 299.415 -0.079 20 0 CBADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[NH2+]1 ZINC000629660333 356788766 /nfs/dbraw/zinc/78/87/66/356788766.db2.gz RWEATNOJVIGUJN-FRRDWIJNSA-N 3 1 268.405 -0.086 20 0 CBADMP COC[C@@]1(C)C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629673797 356789270 /nfs/dbraw/zinc/78/92/70/356789270.db2.gz IDOCZVHENYBSCU-UKRRQHHQSA-N 2 1 299.415 -0.079 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000629800269 356795004 /nfs/dbraw/zinc/79/50/04/356795004.db2.gz ZLSPNLHNVWDJNW-LBPRGKRZSA-N 2 1 284.404 -0.408 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000629800269 356795009 /nfs/dbraw/zinc/79/50/09/356795009.db2.gz ZLSPNLHNVWDJNW-LBPRGKRZSA-N 2 1 284.404 -0.408 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000629800268 356795197 /nfs/dbraw/zinc/79/51/97/356795197.db2.gz ZLSPNLHNVWDJNW-GFCCVEGCSA-N 2 1 284.404 -0.408 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000629800268 356795200 /nfs/dbraw/zinc/79/52/00/356795200.db2.gz ZLSPNLHNVWDJNW-GFCCVEGCSA-N 2 1 284.404 -0.408 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CC)CC[NH3+])C1 ZINC000629800659 356795580 /nfs/dbraw/zinc/79/55/80/356795580.db2.gz XZJGGCBCWXFZSD-ZDUSSCGKSA-N 2 1 298.431 -0.016 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000629801885 356796560 /nfs/dbraw/zinc/79/65/60/356796560.db2.gz DAXXVQFKUNMTSS-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000629810475 356797109 /nfs/dbraw/zinc/79/71/09/356797109.db2.gz ZMLCLDMRSCKSRF-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP C[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629948212 356811913 /nfs/dbraw/zinc/81/19/13/356811913.db2.gz TWPSUVGCQKQMMK-UHFFFAOYSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H](O)CN1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629958300 356812153 /nfs/dbraw/zinc/81/21/53/356812153.db2.gz LHJLECOEZPYGJK-LBPRGKRZSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C)CCC2)C1 ZINC000630000267 356815241 /nfs/dbraw/zinc/81/52/41/356815241.db2.gz IEUIJCMDKSMUFJ-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C)CCC2)C1 ZINC000630000267 356815242 /nfs/dbraw/zinc/81/52/42/356815242.db2.gz IEUIJCMDKSMUFJ-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)O1 ZINC000630090828 356827619 /nfs/dbraw/zinc/82/76/19/356827619.db2.gz LAZYYOKPRLZHRY-SFTQSGBHSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)O1 ZINC000630090828 356827623 /nfs/dbraw/zinc/82/76/23/356827623.db2.gz LAZYYOKPRLZHRY-SFTQSGBHSA-N 2 1 267.373 -0.036 20 0 CBADMP O=C(NCC[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccn[nH]1 ZINC000629574190 356781421 /nfs/dbraw/zinc/78/14/21/356781421.db2.gz ISHABAQWANPIRW-NSHDSACASA-N 2 1 281.360 -0.814 20 0 CBADMP C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)CCOCC[NH3+] ZINC000629577092 356781688 /nfs/dbraw/zinc/78/16/88/356781688.db2.gz YJKNWQIUIGDAND-JTQLQIEISA-N 2 1 267.333 -0.289 20 0 CBADMP C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)CCOCC[NH3+] ZINC000629577092 356781689 /nfs/dbraw/zinc/78/16/89/356781689.db2.gz YJKNWQIUIGDAND-JTQLQIEISA-N 2 1 267.333 -0.289 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)O1 ZINC000629575231 356781719 /nfs/dbraw/zinc/78/17/19/356781719.db2.gz NYSHGOUDFKOHRE-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)O1 ZINC000629575228 356781863 /nfs/dbraw/zinc/78/18/63/356781863.db2.gz NYSHGOUDFKOHRE-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(CC(F)(F)F)C(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629578676 356782532 /nfs/dbraw/zinc/78/25/32/356782532.db2.gz LRAFPWGTPPNHDF-UHFFFAOYSA-N 2 1 271.283 -0.086 20 0 CBADMP CN(CC(F)(F)F)C(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629578676 356782536 /nfs/dbraw/zinc/78/25/36/356782536.db2.gz LRAFPWGTPPNHDF-UHFFFAOYSA-N 2 1 271.283 -0.086 20 0 CBADMP C[N@@H+](CCOCC[NH3+])CCc1nnn(C(C)(C)C)n1 ZINC000629581194 356782741 /nfs/dbraw/zinc/78/27/41/356782741.db2.gz QYEKIOAAJAYZIX-UHFFFAOYSA-N 2 1 270.381 -0.122 20 0 CBADMP CN1CCN(C(=O)CC[N@@H+](C)CCOCC[NH3+])CC1 ZINC000629581296 356783132 /nfs/dbraw/zinc/78/31/32/356783132.db2.gz VBJNMNCTOHLYAW-UHFFFAOYSA-N 2 1 272.393 -0.942 20 0 CBADMP C[N@H+](CCOCC[NH3+])CCC(=O)N1CC[NH+](C)CC1 ZINC000629581296 356783134 /nfs/dbraw/zinc/78/31/34/356783134.db2.gz VBJNMNCTOHLYAW-UHFFFAOYSA-N 3 1 272.393 -0.942 20 0 CBADMP C[N@@H+](CCOCC[NH3+])CCC(=O)N1CC[NH+](C)CC1 ZINC000629581296 356783137 /nfs/dbraw/zinc/78/31/37/356783137.db2.gz VBJNMNCTOHLYAW-UHFFFAOYSA-N 3 1 272.393 -0.942 20 0 CBADMP NC(=O)C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629583893 356783627 /nfs/dbraw/zinc/78/36/27/356783627.db2.gz KFJVETSHLMRZTP-NWDGAFQWSA-N 2 1 255.362 -0.048 20 0 CBADMP OCCC[N@H+]1CCC[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629583881 356783683 /nfs/dbraw/zinc/78/36/83/356783683.db2.gz JWDBIXKBPHEVSM-LSDHHAIUSA-N 2 1 285.432 -0.121 20 0 CBADMP NC(=O)C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000629584462 356783792 /nfs/dbraw/zinc/78/37/92/356783792.db2.gz VCKULBJHMRVJIR-LBPRGKRZSA-N 2 1 255.362 -0.048 20 0 CBADMP OCCC[N@H+]1CCC[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629584410 356783893 /nfs/dbraw/zinc/78/38/93/356783893.db2.gz QJERRWPHOFJNQC-GJZGRUSLSA-N 2 1 285.432 -0.121 20 0 CBADMP OCCC[N@H+]1CCC[C@@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629584411 356784290 /nfs/dbraw/zinc/78/42/90/356784290.db2.gz QJERRWPHOFJNQC-HUUCEWRRSA-N 2 1 285.432 -0.121 20 0 CBADMP Cn1cc(C[C@H](CO)[NH2+]C[C@H](O)C[NH+]2CCCC2)cn1 ZINC000629598986 356784588 /nfs/dbraw/zinc/78/45/88/356784588.db2.gz ZFNZJIKYNAIHSE-KGLIPLIRSA-N 2 1 282.388 -0.630 20 0 CBADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629594031 356784962 /nfs/dbraw/zinc/78/49/62/356784962.db2.gz JJDMPPZGHLEXEB-CHWSQXEVSA-N 2 1 255.362 -0.347 20 0 CBADMP COC[C@@]1(C)C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000629595027 356785194 /nfs/dbraw/zinc/78/51/94/356785194.db2.gz INKWFBYDZCYIEG-CQSZACIVSA-N 2 1 285.388 -0.454 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+](C)C ZINC000629612247 356787103 /nfs/dbraw/zinc/78/71/03/356787103.db2.gz ZBBSDQNCZLCMSE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP O=C(NCCC[NH+]1CCCC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000630398854 356844246 /nfs/dbraw/zinc/84/42/46/356844246.db2.gz IRPYBHYDTUVXES-ZDUSSCGKSA-N 2 1 284.404 -0.162 20 0 CBADMP OCc1cc(-n2cc(CCN3CC[NH2+]CC3)nn2)cc[nH+]1 ZINC000630594264 356853378 /nfs/dbraw/zinc/85/33/78/356853378.db2.gz ZRYLVXOAWAAMTN-UHFFFAOYSA-N 2 1 288.355 -0.398 20 0 CBADMP Cn1cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cn1 ZINC000630593911 356853409 /nfs/dbraw/zinc/85/34/09/356853409.db2.gz UWFICHGPEWPIJL-UHFFFAOYSA-N 2 1 275.360 -0.034 20 0 CBADMP OC[C@@H]1CCC[N@@H+]1Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630603719 356854334 /nfs/dbraw/zinc/85/43/34/356854334.db2.gz LAKXRSZMDLQGFZ-AAEUAGOBSA-N 2 1 265.361 -0.013 20 0 CBADMP OC[C@@H]1CCC[N@H+]1Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630603719 356854337 /nfs/dbraw/zinc/85/43/37/356854337.db2.gz LAKXRSZMDLQGFZ-AAEUAGOBSA-N 2 1 265.361 -0.013 20 0 CBADMP c1c(C[NH+]2CCCC2)nnn1C[C@@H]1C[NH2+]CCO1 ZINC000630617964 356856056 /nfs/dbraw/zinc/85/60/56/356856056.db2.gz ZWPWTCFTPLUQEK-LBPRGKRZSA-N 2 1 251.334 -0.138 20 0 CBADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000631820805 356909040 /nfs/dbraw/zinc/90/90/40/356909040.db2.gz GWMQNLKWADBWFB-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000631844240 356911685 /nfs/dbraw/zinc/91/16/85/356911685.db2.gz VZJXUEIXTCTJCE-DGCLKSJQSA-N 2 1 282.388 -0.796 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000631844240 356911687 /nfs/dbraw/zinc/91/16/87/356911687.db2.gz VZJXUEIXTCTJCE-DGCLKSJQSA-N 2 1 282.388 -0.796 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1CCC(=O)N1CC[NH+](C)CC1 ZINC000631861602 356913559 /nfs/dbraw/zinc/91/35/59/356913559.db2.gz FLAOEPHWFPVLMB-RYUDHWBXSA-N 2 1 254.378 -0.428 20 0 CBADMP CNC(=O)NC[C@@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000631873215 356915475 /nfs/dbraw/zinc/91/54/75/356915475.db2.gz MUJYMADTGNNABB-GFCCVEGCSA-N 2 1 270.377 -0.384 20 0 CBADMP CNC(=O)NC[C@@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000631873215 356915477 /nfs/dbraw/zinc/91/54/77/356915477.db2.gz MUJYMADTGNNABB-GFCCVEGCSA-N 2 1 270.377 -0.384 20 0 CBADMP C[C@@H]1CN(S(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000631904373 356919873 /nfs/dbraw/zinc/91/98/73/356919873.db2.gz LVLGLQOJPWJSAP-GHMZBOCLSA-N 2 1 290.433 -0.403 20 0 CBADMP C[C@H]1CN(S(=O)(=O)N(C)C2CC[NH2+]CC2)CC[NH2+]1 ZINC000631904423 356920221 /nfs/dbraw/zinc/92/02/21/356920221.db2.gz NEWDQPFXLQLLRO-JTQLQIEISA-N 2 1 276.406 -0.791 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N(CCC[NH3+])CCC[NH3+])CC1 ZINC000631941162 356929817 /nfs/dbraw/zinc/92/98/17/356929817.db2.gz POFPBNHZNVZSQB-UHFFFAOYSA-N 3 1 292.449 -0.590 20 0 CBADMP C[NH+](C)CCCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631639055 356898996 /nfs/dbraw/zinc/89/89/96/356898996.db2.gz JIZSTEZNRFWTQP-UHFFFAOYSA-N 2 1 263.407 -0.048 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000632360177 356977075 /nfs/dbraw/zinc/97/70/75/356977075.db2.gz RYCUXWMWHPWUEI-NEPJUHHUSA-N 2 1 275.418 -0.096 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000632421010 356986380 /nfs/dbraw/zinc/98/63/80/356986380.db2.gz QZUYDZAIQMPOEY-UHFFFAOYSA-N 2 1 293.433 -0.686 20 0 CBADMP 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 357044682 /nfs/dbraw/zinc/04/46/82/357044682.db2.gz XLGHTZLCOAMJGT-VOAKCMCISA-N 2 1 294.399 -0.642 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000633114944 357048636 /nfs/dbraw/zinc/04/86/36/357048636.db2.gz FAJILERLCDINRI-JHJVBQTASA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000633138891 357051306 /nfs/dbraw/zinc/05/13/06/357051306.db2.gz FCYFQGIQJRTMIB-WISYIIOYSA-N 2 1 282.388 -0.515 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000633138891 357051309 /nfs/dbraw/zinc/05/13/09/357051309.db2.gz FCYFQGIQJRTMIB-WISYIIOYSA-N 2 1 282.388 -0.515 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000633137917 357051432 /nfs/dbraw/zinc/05/14/32/357051432.db2.gz AAYIFHFUCISOLD-LALPHHSUSA-N 2 1 294.399 -0.511 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000633150317 357052826 /nfs/dbraw/zinc/05/28/26/357052826.db2.gz DTMDAVAFWBVQBI-RNJOBUHISA-N 2 1 269.389 -0.150 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000633148285 357053162 /nfs/dbraw/zinc/05/31/62/357053162.db2.gz UNAXUDOONSPSEF-VXGBXAGGSA-N 2 1 294.399 -0.369 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cn1 ZINC000633690475 357080901 /nfs/dbraw/zinc/08/09/01/357080901.db2.gz FQEDMXSXDOECOO-CYBMUJFWSA-N 2 1 295.387 -0.759 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992933 357142257 /nfs/dbraw/zinc/14/22/57/357142257.db2.gz GFBAUTKLEHKBTL-BBBYJDLNSA-N 2 1 292.427 -0.023 20 0 CBADMP CN(C[C@H](O)C[NH+]1CCOCC1)CC12CC(C1)C[NH2+]2 ZINC000634993293 357142610 /nfs/dbraw/zinc/14/26/10/357142610.db2.gz PWENOQWPYRMQMW-MOKVOYLWSA-N 2 1 269.389 -0.637 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCC[NH+]1CCOCC1 ZINC000635526660 357172706 /nfs/dbraw/zinc/17/27/06/357172706.db2.gz UKFDOTBFNURCGD-VXGBXAGGSA-N 2 1 270.377 -0.160 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635516913 357171043 /nfs/dbraw/zinc/17/10/43/357171043.db2.gz JANBUEBLTCIMHG-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@](O)(C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000634718840 357129061 /nfs/dbraw/zinc/12/90/61/357129061.db2.gz JZKVKZXJAWMHIE-KFWWJZLASA-N 2 1 286.416 -0.055 20 0 CBADMP C[C@](O)(C[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000634718841 357129258 /nfs/dbraw/zinc/12/92/58/357129258.db2.gz JZKVKZXJAWMHIE-KKUMJFAQSA-N 2 1 286.416 -0.055 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](CN[C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000634733898 357130550 /nfs/dbraw/zinc/13/05/50/357130550.db2.gz QSXXSZQSYGFLJZ-NFAWXSAZSA-N 2 1 280.416 -0.085 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000635809353 357211072 /nfs/dbraw/zinc/21/10/72/357211072.db2.gz GHYMIUKTAXLFJR-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635809353 357211075 /nfs/dbraw/zinc/21/10/75/357211075.db2.gz GHYMIUKTAXLFJR-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](CCO)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635809353 357211077 /nfs/dbraw/zinc/21/10/77/357211077.db2.gz GHYMIUKTAXLFJR-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[C@H]1CN(C(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCO ZINC000635823520 357213443 /nfs/dbraw/zinc/21/34/43/357213443.db2.gz OYAXEYRYUBLSOM-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CN(C(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CCO ZINC000635823520 357213447 /nfs/dbraw/zinc/21/34/47/357213447.db2.gz OYAXEYRYUBLSOM-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CCO ZINC000635823520 357213450 /nfs/dbraw/zinc/21/34/50/357213450.db2.gz OYAXEYRYUBLSOM-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCO ZINC000635823520 357213453 /nfs/dbraw/zinc/21/34/53/357213453.db2.gz OYAXEYRYUBLSOM-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCO ZINC000635823749 357213686 /nfs/dbraw/zinc/21/36/86/357213686.db2.gz UPCWNVNRBIDKAH-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CCO ZINC000635823749 357213687 /nfs/dbraw/zinc/21/36/87/357213687.db2.gz UPCWNVNRBIDKAH-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H](C(=O)N2CC(C[NH+](C)C)C2)O1 ZINC000635974894 357241682 /nfs/dbraw/zinc/24/16/82/357241682.db2.gz DGQZHSONWVZZIV-JQWIXIFHSA-N 2 1 255.362 -0.275 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)N2CC(C[NH+](C)C)C2)O1 ZINC000635974894 357241687 /nfs/dbraw/zinc/24/16/87/357241687.db2.gz DGQZHSONWVZZIV-JQWIXIFHSA-N 2 1 255.362 -0.275 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)CC1 ZINC000635928438 357235249 /nfs/dbraw/zinc/23/52/49/357235249.db2.gz GKHVCKKXIWMIMT-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC000635947956 357237650 /nfs/dbraw/zinc/23/76/50/357237650.db2.gz GIUINIZOIMJQJY-SRVKXCTJSA-N 2 1 255.362 -0.396 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000635539339 357174663 /nfs/dbraw/zinc/17/46/63/357174663.db2.gz OVVNMNSWJGORAH-FRRDWIJNSA-N 2 1 285.388 -0.458 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000635539339 357174664 /nfs/dbraw/zinc/17/46/64/357174664.db2.gz OVVNMNSWJGORAH-FRRDWIJNSA-N 2 1 285.388 -0.458 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000635539339 357174666 /nfs/dbraw/zinc/17/46/66/357174666.db2.gz OVVNMNSWJGORAH-FRRDWIJNSA-N 2 1 285.388 -0.458 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000635539339 357174668 /nfs/dbraw/zinc/17/46/68/357174668.db2.gz OVVNMNSWJGORAH-FRRDWIJNSA-N 2 1 285.388 -0.458 20 0 CBADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+](C)C ZINC000635571966 357178546 /nfs/dbraw/zinc/17/85/46/357178546.db2.gz DXQDZDJIYGNXSN-ZIAGYGMSSA-N 2 1 298.431 -0.541 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000636516401 357287719 /nfs/dbraw/zinc/28/77/19/357287719.db2.gz BLIBLHOMVSNEEF-AWEZNQCLSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000636578689 357289960 /nfs/dbraw/zinc/28/99/60/357289960.db2.gz NLODGZOFCIYYIA-RDBSUJKOSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000636578689 357289965 /nfs/dbraw/zinc/28/99/65/357289965.db2.gz NLODGZOFCIYYIA-RDBSUJKOSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000636578689 357289970 /nfs/dbraw/zinc/28/99/70/357289970.db2.gz NLODGZOFCIYYIA-RDBSUJKOSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000636596610 357292199 /nfs/dbraw/zinc/29/21/99/357292199.db2.gz SUSISALAZONIJA-MJBXVCDLSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000636596610 357292202 /nfs/dbraw/zinc/29/22/02/357292202.db2.gz SUSISALAZONIJA-MJBXVCDLSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000636596610 357292204 /nfs/dbraw/zinc/29/22/04/357292204.db2.gz SUSISALAZONIJA-MJBXVCDLSA-N 2 1 296.415 -0.021 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@H+]1C ZINC000636844692 357307073 /nfs/dbraw/zinc/30/70/73/357307073.db2.gz KYQFEQASYFSJQW-AVGNSLFASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000636844692 357307079 /nfs/dbraw/zinc/30/70/79/357307079.db2.gz KYQFEQASYFSJQW-AVGNSLFASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000636844692 357307080 /nfs/dbraw/zinc/30/70/80/357307080.db2.gz KYQFEQASYFSJQW-AVGNSLFASA-N 2 1 284.404 -0.165 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000636125072 357265524 /nfs/dbraw/zinc/26/55/24/357265524.db2.gz IFSBNXVASMMDQD-GFCCVEGCSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000636125072 357265528 /nfs/dbraw/zinc/26/55/28/357265528.db2.gz IFSBNXVASMMDQD-GFCCVEGCSA-N 2 1 267.373 -0.394 20 0 CBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000636182023 357269341 /nfs/dbraw/zinc/26/93/41/357269341.db2.gz JKLHMMZESKLLNG-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000636182023 357269345 /nfs/dbraw/zinc/26/93/45/357269345.db2.gz JKLHMMZESKLLNG-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000637818889 357371060 /nfs/dbraw/zinc/37/10/60/357371060.db2.gz KAOZBBARWNQTKT-GFCCVEGCSA-N 2 1 293.371 -0.495 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000636988442 357315867 /nfs/dbraw/zinc/31/58/67/357315867.db2.gz JHCYTOYZWVNBFO-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637002673 357316338 /nfs/dbraw/zinc/31/63/38/357316338.db2.gz UGIANRQUVQGDLQ-LBPRGKRZSA-N 2 1 272.393 -0.258 20 0 CBADMP CC(C)[C@H]1CN(C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1C ZINC000637039221 357318786 /nfs/dbraw/zinc/31/87/86/357318786.db2.gz SSLCZOZANMPMAB-CQSZACIVSA-N 2 1 297.447 -0.127 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000637254429 357335589 /nfs/dbraw/zinc/33/55/89/357335589.db2.gz AKPSTDGGKDJKOJ-FRRDWIJNSA-N 2 1 284.404 -0.308 20 0 CBADMP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000637532922 357356224 /nfs/dbraw/zinc/35/62/24/357356224.db2.gz OJSQGEKMUMIDPF-WCQYABFASA-N 2 1 282.388 -0.459 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000637532922 357356228 /nfs/dbraw/zinc/35/62/28/357356228.db2.gz OJSQGEKMUMIDPF-WCQYABFASA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+]1CCC[C@H]1CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000637532922 357356230 /nfs/dbraw/zinc/35/62/30/357356230.db2.gz OJSQGEKMUMIDPF-WCQYABFASA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+]1CCC[C@H]1CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000637532922 357356232 /nfs/dbraw/zinc/35/62/32/357356232.db2.gz OJSQGEKMUMIDPF-WCQYABFASA-N 2 1 282.388 -0.459 20 0 CBADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000637809583 357367458 /nfs/dbraw/zinc/36/74/58/357367458.db2.gz AVPDHAFIMIVCQU-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000637810275 357368387 /nfs/dbraw/zinc/36/83/87/357368387.db2.gz DLXJDYTYBNCCDJ-GFCCVEGCSA-N 2 1 254.378 -0.650 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638046988 357404921 /nfs/dbraw/zinc/40/49/21/357404921.db2.gz KHBDYJSVVOXGKE-ZDUSSCGKSA-N 2 1 255.362 -0.094 20 0 CBADMP CC[NH2+][C@H](C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000638065936 357408943 /nfs/dbraw/zinc/40/89/43/357408943.db2.gz ZUPZUESDDXKCEM-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638072084 357410782 /nfs/dbraw/zinc/41/07/82/357410782.db2.gz PUEUUELDRNRNOP-SDDRHHMPSA-N 2 1 255.362 -0.097 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638075340 357411167 /nfs/dbraw/zinc/41/11/67/357411167.db2.gz DZVQYMCNSKBVST-DGCLKSJQSA-N 2 1 255.362 -0.048 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638078716 357412250 /nfs/dbraw/zinc/41/22/50/357412250.db2.gz MTNVFVVVZHPYNJ-AAEUAGOBSA-N 2 1 255.362 -0.048 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638078934 357412634 /nfs/dbraw/zinc/41/26/34/357412634.db2.gz OMYCIEXETRJAKB-GRYCIOLGSA-N 2 1 255.362 -0.051 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000638081632 357412818 /nfs/dbraw/zinc/41/28/18/357412818.db2.gz BAKIKJAWVDGFBC-AAEUAGOBSA-N 2 1 255.362 -0.036 20 0 CBADMP [NH3+]Cc1ncc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000638085026 357413605 /nfs/dbraw/zinc/41/36/05/357413605.db2.gz NSXFRJWIOCMUAW-JTQLQIEISA-N 2 1 261.329 -0.098 20 0 CBADMP C[C@@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000638083504 357413773 /nfs/dbraw/zinc/41/37/73/357413773.db2.gz FWNHIVBYFJMFPO-GWCFXTLKSA-N 2 1 253.346 -0.282 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638101826 357417338 /nfs/dbraw/zinc/41/73/38/357417338.db2.gz RETJVVIQMZDXJQ-NEPJUHHUSA-N 2 1 253.346 -0.129 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638100541 357417499 /nfs/dbraw/zinc/41/74/99/357417499.db2.gz PZIWTPKTVOTGDF-VNHYZAJKSA-N 2 1 299.415 -0.020 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638101828 357417530 /nfs/dbraw/zinc/41/75/30/357417530.db2.gz RETJVVIQMZDXJQ-NWDGAFQWSA-N 2 1 253.346 -0.129 20 0 CBADMP C[C@]1(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C[NH2+]CCO1 ZINC000638104372 357417899 /nfs/dbraw/zinc/41/78/99/357417899.db2.gz YYDFKKMVNHMZBX-GZBFAFLISA-N 2 1 297.399 -0.578 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638102069 357418370 /nfs/dbraw/zinc/41/83/70/357418370.db2.gz XJVZOWRBISDELL-ZFWWWQNUSA-N 2 1 299.415 -0.031 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000638102085 357418499 /nfs/dbraw/zinc/41/84/99/357418499.db2.gz RQFDALCZBZGGJH-UTUOFQBUSA-N 2 1 253.346 -0.297 20 0 CBADMP C[C@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000638102677 357418699 /nfs/dbraw/zinc/41/86/99/357418699.db2.gz VMUWLAXECJUINP-ZWNOBZJWSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)CC[N@H+]1C ZINC000638116149 357420659 /nfs/dbraw/zinc/42/06/59/357420659.db2.gz XLJZPSUKHRBTSE-NQBHXWOUSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000638117952 357420704 /nfs/dbraw/zinc/42/07/04/357420704.db2.gz PWMSOTZDJCTPIX-UONOGXRCSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638135917 357424320 /nfs/dbraw/zinc/42/43/20/357424320.db2.gz VSVXWQXGJRKUQN-DGCLKSJQSA-N 2 1 266.389 -0.510 20 0 CBADMP C[C@H]([NH3+])CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000638141431 357424922 /nfs/dbraw/zinc/42/49/22/357424922.db2.gz UKCFQNLKAZEZFE-QWHCGFSZSA-N 2 1 268.405 -0.038 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638138432 357424956 /nfs/dbraw/zinc/42/49/56/357424956.db2.gz AVAWFQWLAIZEMY-TZMCWYRMSA-N 2 1 284.404 -0.896 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638142414 357426572 /nfs/dbraw/zinc/42/65/72/357426572.db2.gz ZSIXDJSJENZVQW-DGCLKSJQSA-N 2 1 266.389 -0.214 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)O1 ZINC000638247854 357443292 /nfs/dbraw/zinc/44/32/92/357443292.db2.gz PKPSALKBDQFLSH-FVCCEPFGSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)O1 ZINC000638247854 357443296 /nfs/dbraw/zinc/44/32/96/357443296.db2.gz PKPSALKBDQFLSH-FVCCEPFGSA-N 2 1 267.373 -0.084 20 0 CBADMP O=C(CN1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000638214734 357435752 /nfs/dbraw/zinc/43/57/52/357435752.db2.gz CSMDTFLGCBNASN-AWEZNQCLSA-N 2 1 289.383 -0.540 20 0 CBADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[N@H+](C)C[C@H](C)O1 ZINC000638224839 357437092 /nfs/dbraw/zinc/43/70/92/357437092.db2.gz RAGPJENQEVGOJP-BJDJZHNGSA-N 2 1 273.352 -0.136 20 0 CBADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[N@@H+](C)C[C@H](C)O1 ZINC000638224839 357437097 /nfs/dbraw/zinc/43/70/97/357437097.db2.gz RAGPJENQEVGOJP-BJDJZHNGSA-N 2 1 273.352 -0.136 20 0 CBADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000638224841 357437381 /nfs/dbraw/zinc/43/73/81/357437381.db2.gz RAGPJENQEVGOJP-NOOOWODRSA-N 2 1 273.352 -0.136 20 0 CBADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000638224841 357437386 /nfs/dbraw/zinc/43/73/86/357437386.db2.gz RAGPJENQEVGOJP-NOOOWODRSA-N 2 1 273.352 -0.136 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638571385 357495337 /nfs/dbraw/zinc/49/53/37/357495337.db2.gz PQRSZMWJFKLSGD-CHWSQXEVSA-N 2 1 296.415 -0.168 20 0 CBADMP CO[C@]1(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CCOC1 ZINC000638571635 357495483 /nfs/dbraw/zinc/49/54/83/357495483.db2.gz NQDBEFVAQUYFAN-ZFWWWQNUSA-N 2 1 299.415 -0.031 20 0 CBADMP C[NH2+]CCOCCNC(=O)c1csc(C[NH3+])n1 ZINC000638583573 357498616 /nfs/dbraw/zinc/49/86/16/357498616.db2.gz GYQMWJKFNXYTJN-UHFFFAOYSA-N 2 1 258.347 -0.432 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])C2)O1 ZINC000638270635 357447417 /nfs/dbraw/zinc/44/74/17/357447417.db2.gz ZVVODZQYTNTKCV-NOOOWODRSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])C2)O1 ZINC000638270635 357447422 /nfs/dbraw/zinc/44/74/22/357447422.db2.gz ZVVODZQYTNTKCV-NOOOWODRSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)CN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000638283615 357451032 /nfs/dbraw/zinc/45/10/32/357451032.db2.gz YTYWIGAJRKKLDC-OKILXGFUSA-N 2 1 298.431 -0.541 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)CN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000638283615 357451033 /nfs/dbraw/zinc/45/10/33/357451033.db2.gz YTYWIGAJRKKLDC-OKILXGFUSA-N 2 1 298.431 -0.541 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CN1CC[NH2+]CC1 ZINC000638284448 357451971 /nfs/dbraw/zinc/45/19/71/357451971.db2.gz GVHVRICKZLAEKM-OLZOCXBDSA-N 2 1 268.405 -0.310 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CC[NH2+]CC2)C1 ZINC000638287101 357451997 /nfs/dbraw/zinc/45/19/97/357451997.db2.gz UAVJRYWGIUMBRG-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000638337641 357459224 /nfs/dbraw/zinc/45/92/24/357459224.db2.gz JDUUFXWJELRLBG-GRYCIOLGSA-N 2 1 255.362 -0.179 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638377994 357464563 /nfs/dbraw/zinc/46/45/63/357464563.db2.gz UKDYNPIARZXFLQ-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000638427226 357473919 /nfs/dbraw/zinc/47/39/19/357473919.db2.gz VFWQMAIGGJDWOD-OLZOCXBDSA-N 2 1 264.373 -0.460 20 0 CBADMP CC1(C)CC[NH2+][C@@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000638495037 357485854 /nfs/dbraw/zinc/48/58/54/357485854.db2.gz DOUPFQPIOPRQJS-NWDGAFQWSA-N 2 1 296.415 -0.170 20 0 CBADMP CC1(C)C[NH2+][C@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000638497089 357487701 /nfs/dbraw/zinc/48/77/01/357487701.db2.gz IYVJKEIDEIRBQX-QWRGUYRKSA-N 2 1 282.388 -0.560 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638540881 357494186 /nfs/dbraw/zinc/49/41/86/357494186.db2.gz BHMVINNFWPKONZ-LLVKDONJSA-N 2 1 255.362 -0.048 20 0 CBADMP CO[C@@H](C[NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000638551964 357494213 /nfs/dbraw/zinc/49/42/13/357494213.db2.gz OUGOKKNXQRTXDC-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CCN1CC[NH+](CCC(=O)N(C)CCOCC[NH3+])CC1 ZINC000638675807 357519845 /nfs/dbraw/zinc/51/98/45/357519845.db2.gz KCHZDJZQGPUMQN-UHFFFAOYSA-N 2 1 286.420 -0.552 20 0 CBADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1(O)C[NH2+]C1 ZINC000638803272 357533335 /nfs/dbraw/zinc/53/33/35/357533335.db2.gz KHBNMADEHCLJTM-CQSZACIVSA-N 2 1 289.379 -0.041 20 0 CBADMP CN(C)C(=O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638865926 357539171 /nfs/dbraw/zinc/53/91/71/357539171.db2.gz LRVQRCPPYIIELW-UHFFFAOYSA-N 2 1 257.378 -0.101 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638933710 357544977 /nfs/dbraw/zinc/54/49/77/357544977.db2.gz ZDMZJLCCVQMHEX-OLZOCXBDSA-N 2 1 287.404 -0.081 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000638934287 357546154 /nfs/dbraw/zinc/54/61/54/357546154.db2.gz GMBRUKDSDXTGGC-OLZOCXBDSA-N 2 1 268.405 -0.038 20 0 CBADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000639049275 357556344 /nfs/dbraw/zinc/55/63/44/357556344.db2.gz MNVDOQSWJPTVOU-CQSZACIVSA-N 2 1 271.405 -0.247 20 0 CBADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000639049275 357556350 /nfs/dbraw/zinc/55/63/50/357556350.db2.gz MNVDOQSWJPTVOU-CQSZACIVSA-N 2 1 271.405 -0.247 20 0 CBADMP CC[N@H+]1CC[C@H]2OCCN(Cc3cnc(N)nc3N)[C@H]2C1 ZINC000639205439 357561707 /nfs/dbraw/zinc/56/17/07/357561707.db2.gz JGLLWAALYQPGSL-NWDGAFQWSA-N 2 1 292.387 -0.403 20 0 CBADMP CO[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@](C)(CO)C1 ZINC000640002839 357627882 /nfs/dbraw/zinc/62/78/82/357627882.db2.gz ZTZJDXSRBPCRNI-DZGCQCFKSA-N 2 1 299.415 -0.378 20 0 CBADMP CO[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@](C)(CO)C1 ZINC000640002839 357627886 /nfs/dbraw/zinc/62/78/86/357627886.db2.gz ZTZJDXSRBPCRNI-DZGCQCFKSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](C)C[C@]1(O)CCCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000639768882 357596709 /nfs/dbraw/zinc/59/67/09/357596709.db2.gz UVMNAYGDTMTAGC-LSDHHAIUSA-N 2 1 285.432 -0.170 20 0 CBADMP CC(C)N1CCCC[C@@H]1C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843022 357602761 /nfs/dbraw/zinc/60/27/61/357602761.db2.gz CMBICLQYUZDGPD-UPJWGTAASA-N 2 1 296.415 -0.232 20 0 CBADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843022 357602763 /nfs/dbraw/zinc/60/27/63/357602763.db2.gz CMBICLQYUZDGPD-UPJWGTAASA-N 2 1 296.415 -0.232 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1CN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843022 357602767 /nfs/dbraw/zinc/60/27/67/357602767.db2.gz CMBICLQYUZDGPD-UPJWGTAASA-N 2 1 296.415 -0.232 20 0 CBADMP CC(C)N1CCCC[C@H]1C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843021 357602950 /nfs/dbraw/zinc/60/29/50/357602950.db2.gz CMBICLQYUZDGPD-RWMBFGLXSA-N 2 1 296.415 -0.232 20 0 CBADMP CC(C)[N@@H+]1CCCC[C@H]1CN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843021 357602952 /nfs/dbraw/zinc/60/29/52/357602952.db2.gz CMBICLQYUZDGPD-RWMBFGLXSA-N 2 1 296.415 -0.232 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1CN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843021 357602957 /nfs/dbraw/zinc/60/29/57/357602957.db2.gz CMBICLQYUZDGPD-RWMBFGLXSA-N 2 1 296.415 -0.232 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639841663 357603364 /nfs/dbraw/zinc/60/33/64/357603364.db2.gz XLWXCELRGYFZDL-IJLUTSLNSA-N 2 1 282.388 -0.621 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)CC1 ZINC000639854203 357608414 /nfs/dbraw/zinc/60/84/14/357608414.db2.gz JIHQZMLVAGMIQW-ZFWWWQNUSA-N 2 1 299.415 -0.596 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)C[C@]2(C)CO)CC1 ZINC000639854200 357608446 /nfs/dbraw/zinc/60/84/46/357608446.db2.gz JIHQZMLVAGMIQW-UKRRQHHQSA-N 2 1 299.415 -0.596 20 0 CBADMP CC1(C)CN(C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@H+]1CCO ZINC000640304492 357643283 /nfs/dbraw/zinc/64/32/83/357643283.db2.gz PNAHOKACRLAKQS-GFCCVEGCSA-N 2 1 284.404 -0.178 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000640316815 357643332 /nfs/dbraw/zinc/64/33/32/357643332.db2.gz BDABGLKIWSDDEF-GFCCVEGCSA-N 2 1 266.345 -0.236 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000640350219 357650217 /nfs/dbraw/zinc/65/02/17/357650217.db2.gz LMKSNJKELZYGRD-NSHDSACASA-N 2 1 272.393 -0.178 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000640479063 357655365 /nfs/dbraw/zinc/65/53/65/357655365.db2.gz CSTOJYXQADCVEK-DGCLKSJQSA-N 2 1 253.346 -0.783 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000640479063 357655368 /nfs/dbraw/zinc/65/53/68/357655368.db2.gz CSTOJYXQADCVEK-DGCLKSJQSA-N 2 1 253.346 -0.783 20 0 CBADMP C[C@H]([NH3+])CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000641475785 357710442 /nfs/dbraw/zinc/71/04/42/357710442.db2.gz QLTDXKSTSPMKMF-JTQLQIEISA-N 2 1 258.366 -0.568 20 0 CBADMP C[C@H]([NH3+])CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000641493509 357713245 /nfs/dbraw/zinc/71/32/45/357713245.db2.gz NUHVWTZDYSEJQB-QWRGUYRKSA-N 2 1 272.393 -0.180 20 0 CBADMP COCC[C@@H]([NH3+])Cc1cn(C[C@H](O)C[N@@H+](C)C(C)C)nn1 ZINC000641220759 357681509 /nfs/dbraw/zinc/68/15/09/357681509.db2.gz FHWHPEVMPQJNQF-TZMCWYRMSA-N 2 1 299.419 -0.115 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641224896 357683151 /nfs/dbraw/zinc/68/31/51/357683151.db2.gz YVBRZOVLABKRKX-JSGCOSHPSA-N 2 1 297.403 -0.631 20 0 CBADMP C[C@H]([NH3+])CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000641426467 357704422 /nfs/dbraw/zinc/70/44/22/357704422.db2.gz UPCNUMNVLJOFAR-GARJFASQSA-N 2 1 258.366 -0.570 20 0 CBADMP NS(=O)(=O)CCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641797606 357742388 /nfs/dbraw/zinc/74/23/88/357742388.db2.gz CYQQYGDWGQDCJF-VXGBXAGGSA-N 2 1 275.418 -0.014 20 0 CBADMP NS(=O)(=O)CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000641798028 357742587 /nfs/dbraw/zinc/74/25/87/357742587.db2.gz GOFXZUXFQUSODP-PHIMTYICSA-N 2 1 261.391 -0.404 20 0 CBADMP NS(=O)(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2[NH3+] ZINC000641798644 357742831 /nfs/dbraw/zinc/74/28/31/357742831.db2.gz PAMNNRPTOWNENK-OUAUKWLOSA-N 2 1 261.391 -0.276 20 0 CBADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCCCN1CCCC1=O ZINC000641803141 357743695 /nfs/dbraw/zinc/74/36/95/357743695.db2.gz AKSPFPVPAFFPLL-NEPJUHHUSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641823989 357745508 /nfs/dbraw/zinc/74/55/08/357745508.db2.gz CDARXGZMLLZHDE-WDEREUQCSA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641823989 357745510 /nfs/dbraw/zinc/74/55/10/357745510.db2.gz CDARXGZMLLZHDE-WDEREUQCSA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000642535598 357756048 /nfs/dbraw/zinc/75/60/48/357756048.db2.gz KYBWJPINHAMHKS-LOWVWBTDSA-N 2 1 294.399 -0.404 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000642640205 357757174 /nfs/dbraw/zinc/75/71/74/357757174.db2.gz OTBZRMDSQYUITL-STQMWFEESA-N 2 1 298.431 -0.066 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000642718689 357759527 /nfs/dbraw/zinc/75/95/27/357759527.db2.gz HHELTBONFWNCJD-LOWVWBTDSA-N 2 1 294.399 -0.594 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000642756038 357761281 /nfs/dbraw/zinc/76/12/81/357761281.db2.gz JPORNQDUYJIYKH-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000642773330 357761412 /nfs/dbraw/zinc/76/14/12/357761412.db2.gz QXISLXNUXZYIDN-NWDGAFQWSA-N 2 1 296.415 -0.156 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000642786015 357761861 /nfs/dbraw/zinc/76/18/61/357761861.db2.gz XFOIRNLKUPPLSV-CHWSQXEVSA-N 2 1 294.399 -0.593 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785718 357762530 /nfs/dbraw/zinc/76/25/30/357762530.db2.gz FBZGZOXSBGVREV-GFCCVEGCSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785689 357762617 /nfs/dbraw/zinc/76/26/17/357762617.db2.gz DKWDNCCFRQVODG-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP O=C(NCC[NH2+]C1CC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000642887426 357764523 /nfs/dbraw/zinc/76/45/23/357764523.db2.gz XDBCMGFMPAJWAA-CHWSQXEVSA-N 2 1 294.399 -0.402 20 0 CBADMP [NH3+][C@H](CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C1CC1 ZINC000642899068 357765834 /nfs/dbraw/zinc/76/58/34/357765834.db2.gz RVWQYAPXHUMHGH-QWHCGFSZSA-N 2 1 294.399 -0.463 20 0 CBADMP [NH3+][C@H](CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1)C1CC1 ZINC000642899068 357765837 /nfs/dbraw/zinc/76/58/37/357765837.db2.gz RVWQYAPXHUMHGH-QWHCGFSZSA-N 2 1 294.399 -0.463 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](C)[NH3+])CC[N@@H+]1C ZINC000642908932 357767491 /nfs/dbraw/zinc/76/74/91/357767491.db2.gz BTOYNYYJLZMTLQ-WDEREUQCSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](C)[NH3+])CC[N@H+]1C ZINC000642908932 357767496 /nfs/dbraw/zinc/76/74/96/357767496.db2.gz BTOYNYYJLZMTLQ-WDEREUQCSA-N 2 1 270.377 -0.752 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000642911759 357768319 /nfs/dbraw/zinc/76/83/19/357768319.db2.gz XINFQMNWGNTIMH-SRVKXCTJSA-N 2 1 282.388 -0.417 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)[NH3+])C[C@H]1C ZINC000642910574 357768569 /nfs/dbraw/zinc/76/85/69/357768569.db2.gz JCVZWFIPUKFEEO-AXFHLTTASA-N 2 1 270.377 -0.609 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)[NH3+])C[C@H]1C ZINC000642910574 357768574 /nfs/dbraw/zinc/76/85/74/357768574.db2.gz JCVZWFIPUKFEEO-AXFHLTTASA-N 2 1 270.377 -0.609 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642911201 357768641 /nfs/dbraw/zinc/76/86/41/357768641.db2.gz YKMHKEOMJLNXSL-MNOVXSKESA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642911201 357768645 /nfs/dbraw/zinc/76/86/45/357768645.db2.gz YKMHKEOMJLNXSL-MNOVXSKESA-N 2 1 270.377 -0.752 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000642916970 357769306 /nfs/dbraw/zinc/76/93/06/357769306.db2.gz SPYDZSQMOXWMOX-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[NH2+]C2CC2)C[C@H]1C ZINC000642919256 357770320 /nfs/dbraw/zinc/77/03/20/357770320.db2.gz UTAFEVFMDYSAPK-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[NH2+]C2CC2)C[C@H]1C ZINC000642919256 357770322 /nfs/dbraw/zinc/77/03/22/357770322.db2.gz UTAFEVFMDYSAPK-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919110 357770419 /nfs/dbraw/zinc/77/04/19/357770419.db2.gz OMLCRHRVYPXTEM-ZDUSSCGKSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000642940929 357772790 /nfs/dbraw/zinc/77/27/90/357772790.db2.gz IMKZRCARHDXNFI-RYUDHWBXSA-N 2 1 284.404 -0.314 20 0 CBADMP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000642960480 357773374 /nfs/dbraw/zinc/77/33/74/357773374.db2.gz WTCBRJPZPKZPOS-NWDGAFQWSA-N 2 1 280.372 -0.854 20 0 CBADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000642960483 357773407 /nfs/dbraw/zinc/77/34/07/357773407.db2.gz WTCBRJPZPKZPOS-RYUDHWBXSA-N 2 1 280.372 -0.854 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000642969731 357773465 /nfs/dbraw/zinc/77/34/65/357773465.db2.gz SCFSDMUMWLMUIU-QWHCGFSZSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000642985812 357774751 /nfs/dbraw/zinc/77/47/51/357774751.db2.gz ANOFOHPFEWGLGM-GRYCIOLGSA-N 2 1 282.388 -0.689 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000643471958 357784230 /nfs/dbraw/zinc/78/42/30/357784230.db2.gz XTZREIBCBOVNME-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000368570734 283290268 /nfs/dbraw/zinc/29/02/68/283290268.db2.gz YXDRDIHUZCGBIB-VXGBXAGGSA-N 2 1 282.388 -0.334 20 0 CBADMP C[C@H]1C[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[N@H+]1C1CC1 ZINC000333136889 291135183 /nfs/dbraw/zinc/13/51/83/291135183.db2.gz CMBWOBWILPHKJS-UKJIMTQDSA-N 2 1 282.388 -0.414 20 0 CBADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCOCC3CC3)CCN2C1=O ZINC000576528362 335215455 /nfs/dbraw/zinc/21/54/55/335215455.db2.gz GRVVDCXPWZWEHE-NEPJUHHUSA-N 2 1 253.346 -0.343 20 0 CBADMP [NH3+]C1(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000372099235 283398273 /nfs/dbraw/zinc/39/82/73/283398273.db2.gz SFXWGZKEOLFCHV-MNOVXSKESA-N 2 1 253.346 -0.465 20 0 CBADMP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372098685 296015588 /nfs/dbraw/zinc/01/55/88/296015588.db2.gz MMLYOPMBGFGOBR-AVGNSLFASA-N 2 1 267.373 -0.204 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000372101512 296055467 /nfs/dbraw/zinc/05/54/67/296055467.db2.gz JRGXGONQCSKVLR-RYUDHWBXSA-N 2 1 285.413 -0.376 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000423786052 283871845 /nfs/dbraw/zinc/87/18/45/283871845.db2.gz PJTHMNLXBMWICI-MNOVXSKESA-N 2 1 271.361 -0.323 20 0 CBADMP O=C([C@H]1CCC[NH2+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186650791 296107507 /nfs/dbraw/zinc/10/75/07/296107507.db2.gz BVXBPBAMBNZGKT-NWDGAFQWSA-N 2 1 280.372 -0.839 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CC[NH2+]CC1 ZINC000419692078 284053195 /nfs/dbraw/zinc/05/31/95/284053195.db2.gz FQYKMVKKQVXWGN-GFCCVEGCSA-N 2 1 294.399 -0.449 20 0 CBADMP COC[C@@]1(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)CC[NH2+]C1 ZINC000331681429 204071414 /nfs/dbraw/zinc/07/14/14/204071414.db2.gz USKXEKUOHPDJQR-CHWSQXEVSA-N 2 1 273.352 -0.228 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC2([NH3+])CCC2)C[C@@H]1C ZINC000331948647 204327332 /nfs/dbraw/zinc/32/73/32/204327332.db2.gz ZCHPQACGGGMJSP-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC2([NH3+])CCC2)C[C@@H]1C ZINC000331948647 204327335 /nfs/dbraw/zinc/32/73/35/204327335.db2.gz ZCHPQACGGGMJSP-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000331922952 204299655 /nfs/dbraw/zinc/29/96/55/204299655.db2.gz CIYIIHHZRLXDPD-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC1=O ZINC000344048789 217028503 /nfs/dbraw/zinc/02/85/03/217028503.db2.gz NWGZVYKFYGBKJW-STQMWFEESA-N 2 1 296.415 -0.536 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000344088976 217045891 /nfs/dbraw/zinc/04/58/91/217045891.db2.gz LCHDSLJSNICPSH-NEPJUHHUSA-N 2 1 255.362 -0.227 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000344088976 217045894 /nfs/dbraw/zinc/04/58/94/217045894.db2.gz LCHDSLJSNICPSH-NEPJUHHUSA-N 2 1 255.362 -0.227 20 0 CBADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(N)=O ZINC000344128022 217064403 /nfs/dbraw/zinc/06/44/03/217064403.db2.gz HWTDOKIPDUCYFA-UHFFFAOYSA-N 2 1 256.394 -0.179 20 0 CBADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(N)=O ZINC000344128022 217064405 /nfs/dbraw/zinc/06/44/05/217064405.db2.gz HWTDOKIPDUCYFA-UHFFFAOYSA-N 2 1 256.394 -0.179 20 0 CBADMP C[C@H]1CN(C)C[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000344280153 217130299 /nfs/dbraw/zinc/13/02/99/217130299.db2.gz IUZWTNHUVVEZEP-QWHCGFSZSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)C1(C[NH3+])CCOCC1 ZINC000344444722 217192783 /nfs/dbraw/zinc/19/27/83/217192783.db2.gz MZCVOTMWAKDXNQ-ZDUSSCGKSA-N 2 1 299.415 -0.031 20 0 CBADMP COCC[N@H+](C)CCCNC(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000344471079 217202879 /nfs/dbraw/zinc/20/28/79/217202879.db2.gz CPLPZMDUTPUEFY-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000344471079 217202881 /nfs/dbraw/zinc/20/28/81/217202881.db2.gz CPLPZMDUTPUEFY-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000333132203 205056560 /nfs/dbraw/zinc/05/65/60/205056560.db2.gz BWKQDYMDSGSMQF-GXTWGEPZSA-N 2 1 295.431 -0.327 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000353444740 220086948 /nfs/dbraw/zinc/08/69/48/220086948.db2.gz VSUOMJSYERFJOP-ZDUSSCGKSA-N 2 1 296.415 -0.086 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000132959233 372798846 /nfs/dbraw/zinc/79/88/46/372798846.db2.gz WGXFCODOPYFEJK-IJLUTSLNSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@@H+](CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1)C1CC1 ZINC000151407294 372803497 /nfs/dbraw/zinc/80/34/97/372803497.db2.gz AJDNPCQDLADIFG-UHFFFAOYSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000219992832 372870861 /nfs/dbraw/zinc/87/08/61/372870861.db2.gz OMUNCHJUYCRJHR-MNOVXSKESA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)NC(N)=O)C1 ZINC000173894929 284353409 /nfs/dbraw/zinc/35/34/09/284353409.db2.gz CQTKNXDNIGMCPN-SNVBAGLBSA-N 2 1 256.350 -0.155 20 0 CBADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000173894929 284353414 /nfs/dbraw/zinc/35/34/14/284353414.db2.gz CQTKNXDNIGMCPN-SNVBAGLBSA-N 2 1 256.350 -0.155 20 0 CBADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000173894929 284353417 /nfs/dbraw/zinc/35/34/17/284353417.db2.gz CQTKNXDNIGMCPN-SNVBAGLBSA-N 2 1 256.350 -0.155 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000226409790 372876381 /nfs/dbraw/zinc/87/63/81/372876381.db2.gz VFGUULKTPQHEJV-NWDGAFQWSA-N 2 1 254.378 -0.510 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000226397970 372876454 /nfs/dbraw/zinc/87/64/54/372876454.db2.gz PTTQQPIGXTWLAT-LBPRGKRZSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000251929871 372897903 /nfs/dbraw/zinc/89/79/03/372897903.db2.gz YQOCELAMSDVQCB-WISYIIOYSA-N 2 1 253.346 -0.596 20 0 CBADMP O=C(CC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21)N1CC[NH2+]CC1 ZINC000261992081 372905899 /nfs/dbraw/zinc/90/58/99/372905899.db2.gz CWGMPCHOQKQIQA-CHWSQXEVSA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(CC[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21)N1CC[NH2+]CC1 ZINC000261992081 372905911 /nfs/dbraw/zinc/90/59/11/372905911.db2.gz CWGMPCHOQKQIQA-CHWSQXEVSA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)C[NH3+] ZINC000262442670 372909532 /nfs/dbraw/zinc/90/95/32/372909532.db2.gz UVMWCWZGKGXRLX-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333350813 205241949 /nfs/dbraw/zinc/24/19/49/205241949.db2.gz JNRPFEQTYPPUFV-IHRRRGAJSA-N 2 1 298.431 -0.062 20 0 CBADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353503595 220122835 /nfs/dbraw/zinc/12/28/35/220122835.db2.gz SCPYXFUBZPWJSH-NEPJUHHUSA-N 2 1 284.404 -0.040 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353503595 220122836 /nfs/dbraw/zinc/12/28/36/220122836.db2.gz SCPYXFUBZPWJSH-NEPJUHHUSA-N 2 1 284.404 -0.040 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333370972 205263500 /nfs/dbraw/zinc/26/35/00/205263500.db2.gz MJWWUERTUUNDJR-BQSNPHCVSA-N 2 1 264.373 -0.014 20 0 CBADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353498876 220120336 /nfs/dbraw/zinc/12/03/36/220120336.db2.gz CVEWSGJEKHEFMJ-GRYCIOLGSA-N 2 1 284.404 -0.327 20 0 CBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353498876 220120337 /nfs/dbraw/zinc/12/03/37/220120337.db2.gz CVEWSGJEKHEFMJ-GRYCIOLGSA-N 2 1 284.404 -0.327 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000353503622 220122568 /nfs/dbraw/zinc/12/25/68/220122568.db2.gz CCAGVJPCYZQWAA-RYUDHWBXSA-N 2 1 273.377 -0.567 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000333399266 205287123 /nfs/dbraw/zinc/28/71/23/205287123.db2.gz PSXLHODEYUNWFB-NWDGAFQWSA-N 2 1 270.377 -0.242 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000331878240 372999409 /nfs/dbraw/zinc/99/94/09/372999409.db2.gz NHZZXTCXLYPAFU-LBPRGKRZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000331878240 372999417 /nfs/dbraw/zinc/99/94/17/372999417.db2.gz NHZZXTCXLYPAFU-LBPRGKRZSA-N 2 1 296.415 -0.217 20 0 CBADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000332065157 373001782 /nfs/dbraw/zinc/00/17/82/373001782.db2.gz RHXGJTLHZQTEBS-JHJVBQTASA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332731130 373004536 /nfs/dbraw/zinc/00/45/36/373004536.db2.gz RNVSDPVTPAUFJQ-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332731130 373004540 /nfs/dbraw/zinc/00/45/40/373004540.db2.gz RNVSDPVTPAUFJQ-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C[C@@H](C)[NH2+]1 ZINC000332600825 373005309 /nfs/dbraw/zinc/00/53/09/373005309.db2.gz CWUCYMRHMJKYGK-UPJWGTAASA-N 2 1 294.399 -0.498 20 0 CBADMP C[C@@H]1CN(C(=O)NCC2([NH3+])CCC2)C[C@H](C)[N@@H+]1CCO ZINC000332485083 373006093 /nfs/dbraw/zinc/00/60/93/373006093.db2.gz QKHBKQMKEXUIPQ-TXEJJXNPSA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333430224 373009695 /nfs/dbraw/zinc/00/96/95/373009695.db2.gz UKYMFWUVUNNATP-XEZLXBQYSA-N 2 1 282.388 -0.557 20 0 CBADMP CCCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(N)=O ZINC000338232667 373029096 /nfs/dbraw/zinc/02/90/96/373029096.db2.gz RILOTGCHUUHVIN-UHFFFAOYSA-N 2 1 284.404 -0.262 20 0 CBADMP CCCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(N)=O ZINC000338232667 373029110 /nfs/dbraw/zinc/02/91/10/373029110.db2.gz RILOTGCHUUHVIN-UHFFFAOYSA-N 2 1 284.404 -0.262 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333933080 373013955 /nfs/dbraw/zinc/01/39/55/373013955.db2.gz HLMQVDRPMIDCTD-KBPBESRZSA-N 2 1 295.431 -0.230 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000333489726 205367794 /nfs/dbraw/zinc/36/77/94/205367794.db2.gz DCGPISAXVUDIAN-FRRDWIJNSA-N 2 1 284.404 -0.165 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)NCC[NH+](C)C ZINC000342662378 373046824 /nfs/dbraw/zinc/04/68/24/373046824.db2.gz JAIKNVUKQLFTJC-UHFFFAOYSA-N 2 1 260.382 -0.185 20 0 CBADMP CN1CCO[C@@H](CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000333518327 205398197 /nfs/dbraw/zinc/39/81/97/205398197.db2.gz GJBSHGYOGWRDFV-WCQYABFASA-N 2 1 288.367 -0.340 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000350746529 373093448 /nfs/dbraw/zinc/09/34/48/373093448.db2.gz HABZNEYTHKFUML-NSHDSACASA-N 2 1 299.419 -0.554 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000352253222 373101886 /nfs/dbraw/zinc/10/18/86/373101886.db2.gz JGFAXAPDCYBERN-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000352253222 373101897 /nfs/dbraw/zinc/10/18/97/373101897.db2.gz JGFAXAPDCYBERN-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@](C)(C(N)=O)C1)C1CC1 ZINC000352357427 373102750 /nfs/dbraw/zinc/10/27/50/373102750.db2.gz MZOCZSGHJUPFEW-YPMHNXCESA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@](C)(C(N)=O)C1)C1CC1 ZINC000352357427 373102764 /nfs/dbraw/zinc/10/27/64/373102764.db2.gz MZOCZSGHJUPFEW-YPMHNXCESA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@](C)(C(N)=O)C1)C1CC1 ZINC000352357427 373102773 /nfs/dbraw/zinc/10/27/73/373102773.db2.gz MZOCZSGHJUPFEW-YPMHNXCESA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@](C)(C(N)=O)C1)C1CC1 ZINC000352357427 373102779 /nfs/dbraw/zinc/10/27/79/373102779.db2.gz MZOCZSGHJUPFEW-YPMHNXCESA-N 2 1 255.362 -0.361 20 0 CBADMP C[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)[NH+]1CCC(C)CC1 ZINC000353564231 220160927 /nfs/dbraw/zinc/16/09/27/220160927.db2.gz PBSOXKOWYMIFGV-MNOVXSKESA-N 2 1 270.377 -0.574 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CSCN3)CC2)C1 ZINC000361709993 373327453 /nfs/dbraw/zinc/32/74/53/373327453.db2.gz BEERKTQOEIKBIH-CHWSQXEVSA-N 2 1 298.456 -0.113 20 0 CBADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CSC[NH2+]3)CC2)C1 ZINC000361709993 373327460 /nfs/dbraw/zinc/32/74/60/373327460.db2.gz BEERKTQOEIKBIH-CHWSQXEVSA-N 2 1 298.456 -0.113 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000362448786 373413348 /nfs/dbraw/zinc/41/33/48/373413348.db2.gz SHHKOBDHBUFJHK-ZIAGYGMSSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000362448786 373413353 /nfs/dbraw/zinc/41/33/53/373413353.db2.gz SHHKOBDHBUFJHK-ZIAGYGMSSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000362448786 373413360 /nfs/dbraw/zinc/41/33/60/373413360.db2.gz SHHKOBDHBUFJHK-ZIAGYGMSSA-N 2 1 282.432 -0.062 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362501881 373419684 /nfs/dbraw/zinc/41/96/84/373419684.db2.gz XECKLZLNDCAKOJ-WCQYABFASA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362501881 373419687 /nfs/dbraw/zinc/41/96/87/373419687.db2.gz XECKLZLNDCAKOJ-WCQYABFASA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000362388241 373400441 /nfs/dbraw/zinc/40/04/41/373400441.db2.gz FVBXYCUYRCTSFR-ZIAGYGMSSA-N 2 1 282.432 -0.110 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000362761785 373444204 /nfs/dbraw/zinc/44/42/04/373444204.db2.gz BUHIAAKXLAKHAG-UPJWGTAASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000362761785 373444209 /nfs/dbraw/zinc/44/42/09/373444209.db2.gz BUHIAAKXLAKHAG-UPJWGTAASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000362761785 373444215 /nfs/dbraw/zinc/44/42/15/373444215.db2.gz BUHIAAKXLAKHAG-UPJWGTAASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000362761782 373445710 /nfs/dbraw/zinc/44/57/10/373445710.db2.gz BUHIAAKXLAKHAG-AGIUHOORSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000362761782 373445718 /nfs/dbraw/zinc/44/57/18/373445718.db2.gz BUHIAAKXLAKHAG-AGIUHOORSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000362761782 373445727 /nfs/dbraw/zinc/44/57/27/373445727.db2.gz BUHIAAKXLAKHAG-AGIUHOORSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000362868558 373457812 /nfs/dbraw/zinc/45/78/12/373457812.db2.gz QFRRDAWNTQQXIM-RYUDHWBXSA-N 2 1 269.389 -0.243 20 0 CBADMP CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362650113 373433680 /nfs/dbraw/zinc/43/36/80/373433680.db2.gz SWFOMOZYHPBRRG-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP O=C1CNCCN1[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000362677002 373435423 /nfs/dbraw/zinc/43/54/23/373435423.db2.gz WPOMUVAIULHBJR-UONOGXRCSA-N 2 1 280.416 -0.118 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)C(C)C ZINC000398552862 373584369 /nfs/dbraw/zinc/58/43/69/373584369.db2.gz OLMMBYWUJUNMNE-OLZOCXBDSA-N 2 1 262.394 -0.078 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)C(C)C ZINC000398552862 373584379 /nfs/dbraw/zinc/58/43/79/373584379.db2.gz OLMMBYWUJUNMNE-OLZOCXBDSA-N 2 1 262.394 -0.078 20 0 CBADMP O=C(C1C[NH2+]C1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000367809381 373539061 /nfs/dbraw/zinc/53/90/61/373539061.db2.gz FPWPGZZZXTWNBC-UHFFFAOYSA-N 2 1 267.373 -0.081 20 0 CBADMP CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369273721 373548424 /nfs/dbraw/zinc/54/84/24/373548424.db2.gz JATLYRNKOBRGSL-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(=O)N(C)CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369273721 373548429 /nfs/dbraw/zinc/54/84/29/373548429.db2.gz JATLYRNKOBRGSL-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1OCC[C@@]12CN(CC(=O)N1CC[NH+](C)CC1)CCO2 ZINC000375926064 373568318 /nfs/dbraw/zinc/56/83/18/373568318.db2.gz CZCFEHDGJOXLON-DZGCQCFKSA-N 2 1 297.399 -0.360 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000417440845 373628071 /nfs/dbraw/zinc/62/80/71/373628071.db2.gz PDXPMNQJKULKRM-NWDGAFQWSA-N 2 1 272.393 -0.057 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417439995 373628266 /nfs/dbraw/zinc/62/82/66/373628266.db2.gz NHENESGDAQYCGW-CHWSQXEVSA-N 2 1 284.404 -0.042 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000417442537 373629124 /nfs/dbraw/zinc/62/91/24/373629124.db2.gz VAMXFOBKNDYTIY-NEPJUHHUSA-N 2 1 272.393 -0.044 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000417439020 373629772 /nfs/dbraw/zinc/62/97/72/373629772.db2.gz KOSQHDHZVVTGHX-LLVKDONJSA-N 2 1 260.382 -0.153 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417099429 373630053 /nfs/dbraw/zinc/63/00/53/373630053.db2.gz ZXLVDEAEGYJKCX-NSHDSACASA-N 2 1 260.382 -0.009 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[N@H+]1C ZINC000418002224 373632287 /nfs/dbraw/zinc/63/22/87/373632287.db2.gz MCMWVOVQRZRUAQ-GCHJQGSQSA-N 2 1 252.362 -0.014 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C[C@@H](C)[NH2+]1 ZINC000419103051 373636279 /nfs/dbraw/zinc/63/62/79/373636279.db2.gz LLXISEDRJJMURL-GHMZBOCLSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419028415 373636497 /nfs/dbraw/zinc/63/64/97/373636497.db2.gz QHIRWTZKKBZAIB-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP [NH3+]CCCNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000419844648 373640602 /nfs/dbraw/zinc/64/06/02/373640602.db2.gz ZXTDIFHUTSZKJZ-UHFFFAOYSA-N 2 1 296.415 -0.072 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000419893433 373643069 /nfs/dbraw/zinc/64/30/69/373643069.db2.gz MBYRCPWNUWQZCR-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000419893433 373643074 /nfs/dbraw/zinc/64/30/74/373643074.db2.gz MBYRCPWNUWQZCR-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419957445 373643254 /nfs/dbraw/zinc/64/32/54/373643254.db2.gz PJQCDAQRLCUCQO-UPJWGTAASA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419879225 373644098 /nfs/dbraw/zinc/64/40/98/373644098.db2.gz JUDSGNKEDNDLPC-VXGBXAGGSA-N 2 1 282.388 -0.737 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419879225 373644108 /nfs/dbraw/zinc/64/41/08/373644108.db2.gz JUDSGNKEDNDLPC-VXGBXAGGSA-N 2 1 282.388 -0.737 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419879657 373644170 /nfs/dbraw/zinc/64/41/70/373644170.db2.gz ZPLZOWVPIKFKIH-OLZOCXBDSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419879657 373644177 /nfs/dbraw/zinc/64/41/77/373644177.db2.gz ZPLZOWVPIKFKIH-OLZOCXBDSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000419895094 373644433 /nfs/dbraw/zinc/64/44/33/373644433.db2.gz ONZJIDUCKWPQGK-QWHCGFSZSA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000419895094 373644441 /nfs/dbraw/zinc/64/44/41/373644441.db2.gz ONZJIDUCKWPQGK-QWHCGFSZSA-N 2 1 296.415 -0.489 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)C[NH3+])C[C@@H]1C ZINC000420023042 373646753 /nfs/dbraw/zinc/64/67/53/373646753.db2.gz WTWUXPCTURTZFX-DCAQKATOSA-N 2 1 270.377 -0.609 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)C[NH3+])C[C@@H]1C ZINC000420023042 373646761 /nfs/dbraw/zinc/64/67/61/373646761.db2.gz WTWUXPCTURTZFX-DCAQKATOSA-N 2 1 270.377 -0.609 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000420015879 373646839 /nfs/dbraw/zinc/64/68/39/373646839.db2.gz MMXCRGNIWGXGCS-NEPJUHHUSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419982064 373647192 /nfs/dbraw/zinc/64/71/92/373647192.db2.gz SQLQKQYNHIDTAC-CHWSQXEVSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419993823 373647206 /nfs/dbraw/zinc/64/72/06/373647206.db2.gz KRVIEHDFDSFJNZ-UPJWGTAASA-N 2 1 296.415 -0.075 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336595 373649338 /nfs/dbraw/zinc/64/93/38/373649338.db2.gz IXVYHFDFMLNHRN-MNOVXSKESA-N 2 1 268.361 -0.237 20 0 CBADMP COCC[N@H+](C)CCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422903551 373653526 /nfs/dbraw/zinc/65/35/26/373653526.db2.gz FPCLLCHNPNIDGE-ZIAGYGMSSA-N 2 1 271.405 -0.079 20 0 CBADMP COCC[N@@H+](C)CCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422903551 373653534 /nfs/dbraw/zinc/65/35/34/373653534.db2.gz FPCLLCHNPNIDGE-ZIAGYGMSSA-N 2 1 271.405 -0.079 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000422767653 373653692 /nfs/dbraw/zinc/65/36/92/373653692.db2.gz YQCIFRYXPKUJAQ-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000422767653 373653702 /nfs/dbraw/zinc/65/37/02/373653702.db2.gz YQCIFRYXPKUJAQ-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423235083 373655313 /nfs/dbraw/zinc/65/53/13/373655313.db2.gz GFUSCUOMVQBBLF-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000423273625 373656027 /nfs/dbraw/zinc/65/60/27/373656027.db2.gz LFXLXJWDGVMOFV-DGCLKSJQSA-N 2 1 294.399 -0.369 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422971382 373656499 /nfs/dbraw/zinc/65/64/99/373656499.db2.gz IOAYHBUHGHRFJQ-VXGBXAGGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000423379969 373656605 /nfs/dbraw/zinc/65/66/05/373656605.db2.gz MJQAZPIPGHZVNA-NWDGAFQWSA-N 2 1 282.388 -0.655 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000423379969 373656612 /nfs/dbraw/zinc/65/66/12/373656612.db2.gz MJQAZPIPGHZVNA-NWDGAFQWSA-N 2 1 282.388 -0.655 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000423390071 373659451 /nfs/dbraw/zinc/65/94/51/373659451.db2.gz VRAQYGLXVIDGGV-QWHCGFSZSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000423390071 373659459 /nfs/dbraw/zinc/65/94/59/373659459.db2.gz VRAQYGLXVIDGGV-QWHCGFSZSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000423975615 373662335 /nfs/dbraw/zinc/66/23/35/373662335.db2.gz LTQUNSVZWSJGFT-IJLUTSLNSA-N 2 1 255.362 -0.099 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000423975615 373662350 /nfs/dbraw/zinc/66/23/50/373662350.db2.gz LTQUNSVZWSJGFT-IJLUTSLNSA-N 2 1 255.362 -0.099 20 0 CBADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000423766837 373663502 /nfs/dbraw/zinc/66/35/02/373663502.db2.gz CYHWWRZJDXRZBO-SDDRHHMPSA-N 2 1 257.378 -0.054 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])CN1CC[NH+](C)CC1 ZINC000424159123 373664729 /nfs/dbraw/zinc/66/47/29/373664729.db2.gz UVNIRQYWFNBHLU-TUAOUCFPSA-N 2 1 254.378 -0.667 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[N@@H+]1CCOC ZINC000444168469 373683054 /nfs/dbraw/zinc/68/30/54/373683054.db2.gz HYBWKPIWMBAUPY-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[N@H+]1CCOC ZINC000444168469 373683057 /nfs/dbraw/zinc/68/30/57/373683057.db2.gz HYBWKPIWMBAUPY-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)CC[N@@H+]1C ZINC000459895194 373694901 /nfs/dbraw/zinc/69/49/01/373694901.db2.gz KDSFXAILWIYYEL-CYBMUJFWSA-N 2 1 298.431 -0.195 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)CC[N@H+]1C ZINC000459895194 373694909 /nfs/dbraw/zinc/69/49/09/373694909.db2.gz KDSFXAILWIYYEL-CYBMUJFWSA-N 2 1 298.431 -0.195 20 0 CBADMP CC(C)([NH3+])CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000515145774 373776987 /nfs/dbraw/zinc/77/69/87/373776987.db2.gz BCUKWFLYNVRMEP-UHFFFAOYSA-N 2 1 282.388 -0.463 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000515165016 373775905 /nfs/dbraw/zinc/77/59/05/373775905.db2.gz LFSWYICCZGOZMH-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP C[C@H](C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000514864107 373767060 /nfs/dbraw/zinc/76/70/60/373767060.db2.gz QTROHFBGGDLHLM-OCCSQVGLSA-N 2 1 280.416 -0.025 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000516463178 373812248 /nfs/dbraw/zinc/81/22/48/373812248.db2.gz UCTMMJAZMHBNJP-SRVKXCTJSA-N 2 1 283.372 -0.181 20 0 CBADMP NC(=O)c1cnccc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000519803313 373825585 /nfs/dbraw/zinc/82/55/85/373825585.db2.gz ZBZVWYHEDGLNMG-NSHDSACASA-N 2 1 278.356 -0.139 20 0 CBADMP NC(=O)c1c[nH+]ccc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000519803313 373825598 /nfs/dbraw/zinc/82/55/98/373825598.db2.gz ZBZVWYHEDGLNMG-NSHDSACASA-N 2 1 278.356 -0.139 20 0 CBADMP CC1(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C[NH2+]C1 ZINC000520806548 373834011 /nfs/dbraw/zinc/83/40/11/373834011.db2.gz VRKMEQGTBUUYGM-SNVBAGLBSA-N 2 1 268.361 -0.948 20 0 CBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CSC[NH2+]3)C2)CC1 ZINC000515651711 373793268 /nfs/dbraw/zinc/79/32/68/373793268.db2.gz LSJDTUUKAVQCGI-OLZOCXBDSA-N 2 1 298.456 -0.113 20 0 CBADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CC(C)C1 ZINC000521456874 373843379 /nfs/dbraw/zinc/84/33/79/373843379.db2.gz IKQQZTYUEQWSTR-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1([NH3+])CCC1 ZINC000521997955 373856774 /nfs/dbraw/zinc/85/67/74/373856774.db2.gz AYKZTUPDAIVDRO-SNVBAGLBSA-N 2 1 268.361 -0.676 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522147328 373861088 /nfs/dbraw/zinc/86/10/88/373861088.db2.gz BJPFKQHXQWANQW-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522147328 373861093 /nfs/dbraw/zinc/86/10/93/373861093.db2.gz BJPFKQHXQWANQW-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522147328 373861103 /nfs/dbraw/zinc/86/11/03/373861103.db2.gz BJPFKQHXQWANQW-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000522102669 373861402 /nfs/dbraw/zinc/86/14/02/373861402.db2.gz RJPGIHHWAWBYHK-KBPBESRZSA-N 2 1 297.447 -0.127 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000522102669 373861414 /nfs/dbraw/zinc/86/14/14/373861414.db2.gz RJPGIHHWAWBYHK-KBPBESRZSA-N 2 1 297.447 -0.127 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000522102669 373861417 /nfs/dbraw/zinc/86/14/17/373861417.db2.gz RJPGIHHWAWBYHK-KBPBESRZSA-N 2 1 297.447 -0.127 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000522266324 373867583 /nfs/dbraw/zinc/86/75/83/373867583.db2.gz IFDRUVDGVGODSF-KGLIPLIRSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)CN1CC[NH+](C)CC1 ZINC000522266324 373867593 /nfs/dbraw/zinc/86/75/93/373867593.db2.gz IFDRUVDGVGODSF-KGLIPLIRSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)CN1CC[NH+](C)CC1 ZINC000522266324 373867603 /nfs/dbraw/zinc/86/76/03/373867603.db2.gz IFDRUVDGVGODSF-KGLIPLIRSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)O1 ZINC000527553440 373926759 /nfs/dbraw/zinc/92/67/59/373926759.db2.gz MAYXQFQZKPFMSM-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)O1 ZINC000527553440 373926765 /nfs/dbraw/zinc/92/67/65/373926765.db2.gz MAYXQFQZKPFMSM-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)O1 ZINC000527553440 373926768 /nfs/dbraw/zinc/92/67/68/373926768.db2.gz MAYXQFQZKPFMSM-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)O1 ZINC000527553440 373926778 /nfs/dbraw/zinc/92/67/78/373926778.db2.gz MAYXQFQZKPFMSM-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[NH2+]C(C)(C)C2)O1 ZINC000527557452 373928892 /nfs/dbraw/zinc/92/88/92/373928892.db2.gz CXQGOAVODPTLQP-GHMZBOCLSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[NH2+]C(C)(C)C2)O1 ZINC000527557452 373928896 /nfs/dbraw/zinc/92/88/96/373928896.db2.gz CXQGOAVODPTLQP-GHMZBOCLSA-N 2 1 255.362 -0.084 20 0 CBADMP CCC[NH+]1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000527833015 373936377 /nfs/dbraw/zinc/93/63/77/373936377.db2.gz PKEOTBJKCUDKOZ-UHFFFAOYSA-N 2 1 251.338 -0.595 20 0 CBADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353670122 220243496 /nfs/dbraw/zinc/24/34/96/220243496.db2.gz YLDXZXKNZYWLNP-WDEREUQCSA-N 2 1 270.377 -0.430 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353670122 220243498 /nfs/dbraw/zinc/24/34/98/220243498.db2.gz YLDXZXKNZYWLNP-WDEREUQCSA-N 2 1 270.377 -0.430 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529376196 374018318 /nfs/dbraw/zinc/01/83/18/374018318.db2.gz QHLVZNPCCPMNRP-CHWSQXEVSA-N 2 1 284.404 -0.044 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529378667 374019905 /nfs/dbraw/zinc/01/99/05/374019905.db2.gz XTOFVPOBJAIINS-STQMWFEESA-N 2 1 284.404 -0.042 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000529036077 373992802 /nfs/dbraw/zinc/99/28/02/373992802.db2.gz NBRIEAZIBYFBRH-LBPRGKRZSA-N 2 1 252.318 -0.626 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000529036077 373992812 /nfs/dbraw/zinc/99/28/12/373992812.db2.gz NBRIEAZIBYFBRH-LBPRGKRZSA-N 2 1 252.318 -0.626 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000530205238 374066144 /nfs/dbraw/zinc/06/61/44/374066144.db2.gz FRCRQFLZORWMTA-UHFFFAOYSA-N 2 1 296.415 -0.344 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000530233653 374068707 /nfs/dbraw/zinc/06/87/07/374068707.db2.gz ZRHVNOHWXBEDTQ-AWEZNQCLSA-N 2 1 296.415 -0.344 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000530233653 374068712 /nfs/dbraw/zinc/06/87/12/374068712.db2.gz ZRHVNOHWXBEDTQ-AWEZNQCLSA-N 2 1 296.415 -0.344 20 0 CBADMP CNC(=O)NC[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000530231622 374069597 /nfs/dbraw/zinc/06/95/97/374069597.db2.gz SAEULGGORZCAEA-NEPJUHHUSA-N 2 1 270.377 -0.384 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000531435544 374132912 /nfs/dbraw/zinc/13/29/12/374132912.db2.gz VFIYINHKHRUTNR-TZMCWYRMSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000531435544 374132917 /nfs/dbraw/zinc/13/29/17/374132917.db2.gz VFIYINHKHRUTNR-TZMCWYRMSA-N 2 1 285.388 -0.863 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000532128733 374159819 /nfs/dbraw/zinc/15/98/19/374159819.db2.gz ZZBCMEOKRMTWNI-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000532128733 374159825 /nfs/dbraw/zinc/15/98/25/374159825.db2.gz ZZBCMEOKRMTWNI-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000571658936 374335840 /nfs/dbraw/zinc/33/58/40/374335840.db2.gz XJWQUXCLWKGXEE-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000571658937 374336545 /nfs/dbraw/zinc/33/65/45/374336545.db2.gz XJWQUXCLWKGXEE-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000580706221 374355391 /nfs/dbraw/zinc/35/53/91/374355391.db2.gz LFBIUGWGXGHXER-LBPRGKRZSA-N 2 1 294.399 -0.735 20 0 CBADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000580706210 374355491 /nfs/dbraw/zinc/35/54/91/374355491.db2.gz LFBIUGWGXGHXER-GFCCVEGCSA-N 2 1 294.399 -0.735 20 0 CBADMP C[C@H]1COCCN1CC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000583495023 374363743 /nfs/dbraw/zinc/36/37/43/374363743.db2.gz NVANSKCSRGYGMJ-GXTWGEPZSA-N 2 1 271.405 -0.248 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CCC[C@H](N2CCNC2=O)C1)C1CC1 ZINC000583840984 374369260 /nfs/dbraw/zinc/36/92/60/374369260.db2.gz WYBNAMFHINRQFV-UONOGXRCSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1F ZINC000584469883 374373387 /nfs/dbraw/zinc/37/33/87/374373387.db2.gz BBIOTNCSLCTWKI-MNOVXSKESA-N 2 1 272.320 -0.265 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000577949426 374346378 /nfs/dbraw/zinc/34/63/78/374346378.db2.gz LXYHPZUPQWKRSR-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+]1CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC000643767669 374407507 /nfs/dbraw/zinc/40/75/07/374407507.db2.gz LNJBQSIXXCMDFP-NSHDSACASA-N 2 1 268.361 -0.900 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCOC3)[C@H]2C1 ZINC000643794221 374421878 /nfs/dbraw/zinc/42/18/78/374421878.db2.gz LXTKIYZONQWVEL-AGIUHOORSA-N 2 1 267.373 -0.225 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000644164141 374498726 /nfs/dbraw/zinc/49/87/26/374498726.db2.gz WWOKFGGQMOPIDU-UONOGXRCSA-N 2 1 290.367 -0.067 20 0 CBADMP COC[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000644536816 374590188 /nfs/dbraw/zinc/59/01/88/374590188.db2.gz YGUQCPNWLHODML-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000644536816 374590197 /nfs/dbraw/zinc/59/01/97/374590197.db2.gz YGUQCPNWLHODML-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000644536549 374590505 /nfs/dbraw/zinc/59/05/05/374590505.db2.gz GORGNFIBUXWFHO-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000644536549 374590514 /nfs/dbraw/zinc/59/05/14/374590514.db2.gz GORGNFIBUXWFHO-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP COC[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000644536815 374590829 /nfs/dbraw/zinc/59/08/29/374590829.db2.gz YGUQCPNWLHODML-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000644536815 374590839 /nfs/dbraw/zinc/59/08/39/374590839.db2.gz YGUQCPNWLHODML-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000644536554 374591302 /nfs/dbraw/zinc/59/13/02/374591302.db2.gz GORGNFIBUXWFHO-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000644536554 374591305 /nfs/dbraw/zinc/59/13/05/374591305.db2.gz GORGNFIBUXWFHO-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000644554025 374592557 /nfs/dbraw/zinc/59/25/57/374592557.db2.gz FMYCYTITOFWGIG-TZMCWYRMSA-N 2 1 271.405 -0.248 20 0 CBADMP COCC[NH+]1CC[C@@H](NC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000644554025 374592561 /nfs/dbraw/zinc/59/25/61/374592561.db2.gz FMYCYTITOFWGIG-TZMCWYRMSA-N 2 1 271.405 -0.248 20 0 CBADMP COCC[NH+]1CC[C@@H](NC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644554025 374592566 /nfs/dbraw/zinc/59/25/66/374592566.db2.gz FMYCYTITOFWGIG-TZMCWYRMSA-N 2 1 271.405 -0.248 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)COCC[NH3+])C[C@H](C)O1 ZINC000645299446 374658796 /nfs/dbraw/zinc/65/87/96/374658796.db2.gz NXFHHUQUKMDJAN-TXEJJXNPSA-N 2 1 273.377 -0.423 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+](CCO)C1CCOCC1 ZINC000574529304 335027399 /nfs/dbraw/zinc/02/73/99/335027399.db2.gz BTEDRODLSWOFGM-ZDUSSCGKSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+](CCO)C1CCOCC1 ZINC000574529304 335027400 /nfs/dbraw/zinc/02/74/00/335027400.db2.gz BTEDRODLSWOFGM-ZDUSSCGKSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+](CCO)C1CCOCC1 ZINC000574529304 335027401 /nfs/dbraw/zinc/02/74/01/335027401.db2.gz BTEDRODLSWOFGM-ZDUSSCGKSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+](CCO)C1CCOCC1 ZINC000574529304 335027403 /nfs/dbraw/zinc/02/74/03/335027403.db2.gz BTEDRODLSWOFGM-ZDUSSCGKSA-N 2 1 260.378 -0.228 20 0 CBADMP CC1(C)C[NH2+][C@@H]1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000645869901 374709473 /nfs/dbraw/zinc/70/94/73/374709473.db2.gz ZJWTUMCLLRCANC-VXGBXAGGSA-N 2 1 296.415 -0.312 20 0 CBADMP CC1(C)C[NH2+][C@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000645869900 374710169 /nfs/dbraw/zinc/71/01/69/374710169.db2.gz ZJWTUMCLLRCANC-RYUDHWBXSA-N 2 1 296.415 -0.312 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645951650 374716547 /nfs/dbraw/zinc/71/65/47/374716547.db2.gz VEUJLCYBLUBCSL-QWRGUYRKSA-N 2 1 255.362 -0.179 20 0 CBADMP COCC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953169 374716717 /nfs/dbraw/zinc/71/67/17/374716717.db2.gz FXHCSLWYIOQKER-GFCCVEGCSA-N 2 1 255.362 -0.177 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953155 374717054 /nfs/dbraw/zinc/71/70/54/374717054.db2.gz FLMKBXLPNXJMSQ-OLZOCXBDSA-N 2 1 294.399 -0.545 20 0 CBADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953156 374717213 /nfs/dbraw/zinc/71/72/13/374717213.db2.gz FLMKBXLPNXJMSQ-QWHCGFSZSA-N 2 1 294.399 -0.545 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645951649 374717722 /nfs/dbraw/zinc/71/77/22/374717722.db2.gz VEUJLCYBLUBCSL-MNOVXSKESA-N 2 1 255.362 -0.179 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953289 374717771 /nfs/dbraw/zinc/71/77/71/374717771.db2.gz OAXXBVMMDODZJA-NEPJUHHUSA-N 2 1 255.362 -0.049 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953213 374717884 /nfs/dbraw/zinc/71/78/84/374717884.db2.gz IVGKYPYKEBIEEY-OLZOCXBDSA-N 2 1 267.373 -0.035 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000645961344 374719261 /nfs/dbraw/zinc/71/92/61/374719261.db2.gz SHFYLGLNKRPYII-ZDUSSCGKSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645977965 374720532 /nfs/dbraw/zinc/72/05/32/374720532.db2.gz OWVFOAAPYGDFAE-LLVKDONJSA-N 2 1 254.378 -0.510 20 0 CBADMP C[NH2+]CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000645977965 374720535 /nfs/dbraw/zinc/72/05/35/374720535.db2.gz OWVFOAAPYGDFAE-LLVKDONJSA-N 2 1 254.378 -0.510 20 0 CBADMP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000645978124 374721070 /nfs/dbraw/zinc/72/10/70/374721070.db2.gz SNOMYCKMLFPCEN-VXGBXAGGSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H](C[NH3+])C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645978124 374721075 /nfs/dbraw/zinc/72/10/75/374721075.db2.gz SNOMYCKMLFPCEN-VXGBXAGGSA-N 2 1 268.405 -0.134 20 0 CBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH2+]3)C2)CC1 ZINC000645977749 374721143 /nfs/dbraw/zinc/72/11/43/374721143.db2.gz KYWVUKOKOKEHRG-DGCLKSJQSA-N 2 1 266.389 -0.367 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH2+]3)C2)CC1 ZINC000645977749 374721149 /nfs/dbraw/zinc/72/11/49/374721149.db2.gz KYWVUKOKOKEHRG-DGCLKSJQSA-N 2 1 266.389 -0.367 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009545 374726992 /nfs/dbraw/zinc/72/69/92/374726992.db2.gz QQHFCXXCKJCPEO-UONOGXRCSA-N 2 1 298.431 -0.508 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]1 ZINC000646009385 374727292 /nfs/dbraw/zinc/72/72/92/374727292.db2.gz GBADWKJXQVJBPH-ZIAGYGMSSA-N 2 1 296.415 -0.739 20 0 CBADMP [NH3+]C1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCC1 ZINC000646009506 374727818 /nfs/dbraw/zinc/72/78/18/374727818.db2.gz OIDJXNAJKYOCHV-CYBMUJFWSA-N 2 1 296.415 -0.610 20 0 CBADMP [NH3+]CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000646440841 374779135 /nfs/dbraw/zinc/77/91/35/374779135.db2.gz DYOMMORIGCIGIC-CHWSQXEVSA-N 2 1 285.388 -0.279 20 0 CBADMP [NH3+]CCOCC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000646440842 374780136 /nfs/dbraw/zinc/78/01/36/374780136.db2.gz DYOMMORIGCIGIC-OLZOCXBDSA-N 2 1 285.388 -0.279 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)NCC[N@H+]1CCCOCC1 ZINC000646505233 374782824 /nfs/dbraw/zinc/78/28/24/374782824.db2.gz FLVXCXOYKCSTRE-LBPRGKRZSA-N 2 1 271.361 -0.797 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000647080817 374881094 /nfs/dbraw/zinc/88/10/94/374881094.db2.gz PZNMUHKEOXBVED-OLZOCXBDSA-N 2 1 268.405 -0.119 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000647082027 374882160 /nfs/dbraw/zinc/88/21/60/374882160.db2.gz BTWAOMRRVWJYQM-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H]([NH3+])CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000646974959 374854108 /nfs/dbraw/zinc/85/41/08/374854108.db2.gz PCUDJIMCBCKMQK-MNOVXSKESA-N 2 1 268.361 -0.854 20 0 CBADMP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000646974958 374854342 /nfs/dbraw/zinc/85/43/42/374854342.db2.gz PCUDJIMCBCKMQK-GHMZBOCLSA-N 2 1 268.361 -0.854 20 0 CBADMP CCN(CC)c1ccc(CNC(=O)CNC(=O)CN)cn1 ZINC000262471651 190055606 /nfs/dbraw/zinc/05/56/06/190055606.db2.gz ZEALTIARJBPNQM-UHFFFAOYSA-N 2 1 293.371 -0.381 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418594155 299474796 /nfs/dbraw/zinc/47/47/96/299474796.db2.gz WFGOQHMFCSTJNV-AVGNSLFASA-N 2 1 284.404 -0.036 20 0 CBADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC(=O)NC1CC1 ZINC000312660446 248168142 /nfs/dbraw/zinc/16/81/42/248168142.db2.gz GWROFMINXWDCPS-PHIMTYICSA-N 2 1 280.372 -0.094 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+]([C@H](C)CO)CC2)C1 ZINC000356968620 248305125 /nfs/dbraw/zinc/30/51/25/248305125.db2.gz BXNSSKPAEOIPFZ-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+]([C@H](C)CO)CC2)C1 ZINC000356968620 248305128 /nfs/dbraw/zinc/30/51/28/248305128.db2.gz BXNSSKPAEOIPFZ-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)C1 ZINC000356968620 248305133 /nfs/dbraw/zinc/30/51/33/248305133.db2.gz BXNSSKPAEOIPFZ-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)C1 ZINC000356968620 248305138 /nfs/dbraw/zinc/30/51/38/248305138.db2.gz BXNSSKPAEOIPFZ-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])C[C@@H]1N1CCOCC1 ZINC000357082079 248319049 /nfs/dbraw/zinc/31/90/49/248319049.db2.gz OOCJJNKGPYKNPE-OLZOCXBDSA-N 2 1 257.378 -0.386 20 0 CBADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])C[C@H]1N1CCOCC1 ZINC000357082076 248319139 /nfs/dbraw/zinc/31/91/39/248319139.db2.gz OOCJJNKGPYKNPE-CHWSQXEVSA-N 2 1 257.378 -0.386 20 0 CBADMP CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000357100417 248322953 /nfs/dbraw/zinc/32/29/53/248322953.db2.gz FILAHZPYLDKELR-LBPRGKRZSA-N 2 1 293.433 -0.245 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)C[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000357171360 248328272 /nfs/dbraw/zinc/32/82/72/248328272.db2.gz FOEQZWDXNRQKSC-MJBXVCDLSA-N 2 1 299.415 -0.020 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000357284422 248344418 /nfs/dbraw/zinc/34/44/18/248344418.db2.gz HUEHFRBZHHMZGU-KGLIPLIRSA-N 2 1 296.415 -0.787 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000357284422 248344422 /nfs/dbraw/zinc/34/44/22/248344422.db2.gz HUEHFRBZHHMZGU-KGLIPLIRSA-N 2 1 296.415 -0.787 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371226877 248804347 /nfs/dbraw/zinc/80/43/47/248804347.db2.gz CVXWSILFMOREEI-OLZOCXBDSA-N 2 1 267.373 -0.035 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000574680993 335039012 /nfs/dbraw/zinc/03/90/12/335039012.db2.gz WPKQHVCGTASUHM-CHWSQXEVSA-N 2 1 283.420 -0.374 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000347123418 218129706 /nfs/dbraw/zinc/12/97/06/218129706.db2.gz HSLLAHQVPVCIHA-LBPRGKRZSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[NH+](CCO)CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000347123418 218129708 /nfs/dbraw/zinc/12/97/08/218129708.db2.gz HSLLAHQVPVCIHA-LBPRGKRZSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[NH+](CCO)CCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000347123418 218129711 /nfs/dbraw/zinc/12/97/11/218129711.db2.gz HSLLAHQVPVCIHA-LBPRGKRZSA-N 2 1 272.393 -0.306 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)CC[NH3+])CC1 ZINC000347481143 218251702 /nfs/dbraw/zinc/25/17/02/218251702.db2.gz TXQLFCFSKJCQCI-UHFFFAOYSA-N 2 1 270.377 -0.558 20 0 CBADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CNC(=O)C[NH3+])C1 ZINC000347611095 218290500 /nfs/dbraw/zinc/29/05/00/218290500.db2.gz GSNYHKCGPSYGHI-LLVKDONJSA-N 2 1 293.371 -0.316 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000347653991 218308427 /nfs/dbraw/zinc/30/84/27/218308427.db2.gz HLLFZEAWBCPCOI-NSHDSACASA-N 2 1 270.377 -0.702 20 0 CBADMP C[N@H+]1CCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000347643200 218304863 /nfs/dbraw/zinc/30/48/63/218304863.db2.gz CGPMCEPSLCNVGE-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CNC(=O)C[NH3+] ZINC000347697187 218326930 /nfs/dbraw/zinc/32/69/30/218326930.db2.gz VDUKUEMFWUYTHP-LBPRGKRZSA-N 2 1 284.404 -0.168 20 0 CBADMP C[C@H]1C[C@@H]([N@H+](C)CCN2C(=O)CNC2=O)CCN1C ZINC000123785193 207370081 /nfs/dbraw/zinc/37/00/81/207370081.db2.gz AQGPMFFEXXTUIA-QWRGUYRKSA-N 2 1 268.361 -0.047 20 0 CBADMP C[C@H]1C[C@@H]([N@@H+](C)CCN2C(=O)CNC2=O)CCN1C ZINC000123785193 207370089 /nfs/dbraw/zinc/37/00/89/207370089.db2.gz AQGPMFFEXXTUIA-QWRGUYRKSA-N 2 1 268.361 -0.047 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C[C@@H]1C ZINC000168022561 207398387 /nfs/dbraw/zinc/39/83/87/207398387.db2.gz XOKJKQTYDOTJKY-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C[C@H]1C ZINC000168022455 207398611 /nfs/dbraw/zinc/39/86/11/207398611.db2.gz XOKJKQTYDOTJKY-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2CSCN2)CCN1C[C@@H](C)O ZINC000168001328 207399026 /nfs/dbraw/zinc/39/90/26/207399026.db2.gz QCZJSUJNICKFRI-GRYCIOLGSA-N 2 1 287.429 -0.048 20 0 CBADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000493990098 532966952 /nfs/dbraw/zinc/96/69/52/532966952.db2.gz BBQFLRGFUGJYQX-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000376720977 532978674 /nfs/dbraw/zinc/97/86/74/532978674.db2.gz OUQCVPNLKLMDNT-PWSUYJOCSA-N 2 1 259.325 -0.475 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C1(OC)CC[NH2+]CC1 ZINC000167264391 285031974 /nfs/dbraw/zinc/03/19/74/285031974.db2.gz NYUJJKBTINFXNY-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000420384043 207816545 /nfs/dbraw/zinc/81/65/45/207816545.db2.gz TXFFJMBIZCEQNJ-RWMBFGLXSA-N 2 1 268.405 -0.182 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423014839 207870852 /nfs/dbraw/zinc/87/08/52/207870852.db2.gz PTPFLTPZDRIYSO-GFCCVEGCSA-N 2 1 282.388 -0.654 20 0 CBADMP CC[NH+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424137874 207961088 /nfs/dbraw/zinc/96/10/88/207961088.db2.gz PLWRBTBIWWCCCZ-GFCCVEGCSA-N 2 1 292.387 -0.020 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000427854458 208072270 /nfs/dbraw/zinc/07/22/70/208072270.db2.gz AVXBAKIMWCOKGH-ZJUUUORDSA-N 2 1 254.334 -0.532 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428195717 208081311 /nfs/dbraw/zinc/08/13/11/208081311.db2.gz YLLXGMKGDJZEHB-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000428531215 208090602 /nfs/dbraw/zinc/09/06/02/208090602.db2.gz AJSQLNOSNACZJY-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC000428531215 208090608 /nfs/dbraw/zinc/09/06/08/208090608.db2.gz AJSQLNOSNACZJY-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000429685743 208128848 /nfs/dbraw/zinc/12/88/48/208128848.db2.gz PZMGLBOIYZJALO-CYBMUJFWSA-N 2 1 269.389 -0.145 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000429685743 208128854 /nfs/dbraw/zinc/12/88/54/208128854.db2.gz PZMGLBOIYZJALO-CYBMUJFWSA-N 2 1 269.389 -0.145 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C2(C(N)=O)CCCCC2)CC1 ZINC000429668554 208129384 /nfs/dbraw/zinc/12/93/84/208129384.db2.gz RAOJCIOCYXEGSD-UHFFFAOYSA-N 2 1 296.415 -0.072 20 0 CBADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)NC(N)=O)C2)C1 ZINC000429011399 208105721 /nfs/dbraw/zinc/10/57/21/208105721.db2.gz SHRFWTUGHOBZMI-LBPRGKRZSA-N 2 1 254.334 -0.401 20 0 CBADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)NC(N)=O)C2)C1 ZINC000429011399 208105726 /nfs/dbraw/zinc/10/57/26/208105726.db2.gz SHRFWTUGHOBZMI-LBPRGKRZSA-N 2 1 254.334 -0.401 20 0 CBADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)NC(N)=O)C2)C1 ZINC000429011399 208105732 /nfs/dbraw/zinc/10/57/32/208105732.db2.gz SHRFWTUGHOBZMI-LBPRGKRZSA-N 2 1 254.334 -0.401 20 0 CBADMP CCOCCNC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430550220 208164356 /nfs/dbraw/zinc/16/43/56/208164356.db2.gz YOTSWWTWBDEZDW-UHFFFAOYSA-N 2 1 287.404 -0.031 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430725528 208174995 /nfs/dbraw/zinc/17/49/95/208174995.db2.gz XNFDOCXUCUTDJC-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430725528 208175001 /nfs/dbraw/zinc/17/50/01/208175001.db2.gz XNFDOCXUCUTDJC-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430900715 285073940 /nfs/dbraw/zinc/07/39/40/285073940.db2.gz QSHQNGHXIGOYRY-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430573237 208166205 /nfs/dbraw/zinc/16/62/05/208166205.db2.gz LFUDRIIYNHJYFS-WDEREUQCSA-N 2 1 263.407 -0.015 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430573237 208166209 /nfs/dbraw/zinc/16/62/09/208166209.db2.gz LFUDRIIYNHJYFS-WDEREUQCSA-N 2 1 263.407 -0.015 20 0 CBADMP COCCCS(=O)(=O)NCC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430580487 208166989 /nfs/dbraw/zinc/16/69/89/208166989.db2.gz HQGWMHVJTIEOAR-GFCCVEGCSA-N 2 1 293.433 -0.341 20 0 CBADMP C[N@@H+](CCC(=O)NC1CCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000430642299 208168410 /nfs/dbraw/zinc/16/84/10/208168410.db2.gz OFRVEDYUBCBSER-UHFFFAOYSA-N 2 1 296.415 -0.201 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000430729638 208175653 /nfs/dbraw/zinc/17/56/53/208175653.db2.gz HBETUTMURFCMCY-VXGBXAGGSA-N 2 1 271.361 -0.798 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430638159 208169506 /nfs/dbraw/zinc/16/95/06/208169506.db2.gz MTPCJNPXICVCFZ-LLVKDONJSA-N 2 1 263.407 -0.061 20 0 CBADMP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2COCC[NH2+]2)CCSC1 ZINC000430680117 208171515 /nfs/dbraw/zinc/17/15/15/208171515.db2.gz XMCZUEHGUSROFJ-CMPLNLGQSA-N 2 1 273.402 -0.472 20 0 CBADMP C[NH+](C)[C@@]1(CNC(=O)[C@H]2COCC[NH2+]2)CCSC1 ZINC000430680120 208171761 /nfs/dbraw/zinc/17/17/61/208171761.db2.gz XMCZUEHGUSROFJ-ZYHUDNBSSA-N 2 1 273.402 -0.472 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000430718312 208174355 /nfs/dbraw/zinc/17/43/55/208174355.db2.gz BVVFDUBYIZOBMN-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)C[C@@H]1C ZINC000430720983 208176244 /nfs/dbraw/zinc/17/62/44/208176244.db2.gz NZESKUYIOMWCAR-SGMGOOAPSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)C[C@@H]1C ZINC000430720983 208176251 /nfs/dbraw/zinc/17/62/51/208176251.db2.gz NZESKUYIOMWCAR-SGMGOOAPSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@H+]1CCOC ZINC000430720889 208176298 /nfs/dbraw/zinc/17/62/98/208176298.db2.gz NSHPMLNDXLWDTC-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@H]2COCC[NH2+]2)CCOCC1 ZINC000430742335 208180065 /nfs/dbraw/zinc/18/00/65/208180065.db2.gz WBXPPENLGZVHMB-LLVKDONJSA-N 2 1 271.361 -0.798 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000430799315 208181675 /nfs/dbraw/zinc/18/16/75/208181675.db2.gz KQQFAVMRAHAQFN-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)COC2C[NH2+]C2)CC[N@H+]1C ZINC000430785682 208182407 /nfs/dbraw/zinc/18/24/07/208182407.db2.gz YHLFSTOBZJFYON-GHMZBOCLSA-N 2 1 255.362 -0.084 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430816993 208183747 /nfs/dbraw/zinc/18/37/47/208183747.db2.gz OXKUITDEILPVCQ-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430816994 208185441 /nfs/dbraw/zinc/18/54/41/208185441.db2.gz OXKUITDEILPVCQ-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP C[NH2+]CCCC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000430891854 208186723 /nfs/dbraw/zinc/18/67/23/208186723.db2.gz XTZDMWIEEPSYMI-LLVKDONJSA-N 2 1 270.377 -0.558 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000430892066 208188722 /nfs/dbraw/zinc/18/87/22/208188722.db2.gz ZSWYHRZRMGJPMD-WOPDTQHZSA-N 2 1 282.388 -0.430 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[NH2+]CC1CC1 ZINC000430896467 208189195 /nfs/dbraw/zinc/18/91/95/208189195.db2.gz HZTAMVWLGCQEGF-LBPRGKRZSA-N 2 1 282.388 -0.558 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000430920821 208191687 /nfs/dbraw/zinc/19/16/87/208191687.db2.gz QGWFEUAXUHVMNZ-NEPJUHHUSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430947347 208192217 /nfs/dbraw/zinc/19/22/17/208192217.db2.gz DIIIEGUSLQOWDY-WOPDTQHZSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430947347 208192219 /nfs/dbraw/zinc/19/22/19/208192219.db2.gz DIIIEGUSLQOWDY-WOPDTQHZSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC[NH2+]CC2)CC1 ZINC000430930494 208193078 /nfs/dbraw/zinc/19/30/78/208193078.db2.gz SVXMSAZOWFBYTQ-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@H]1C[N@H+](CCCS(=O)(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000430951164 208193543 /nfs/dbraw/zinc/19/35/43/208193543.db2.gz UPBUHJVUNNTOSC-QWRGUYRKSA-N 2 1 263.407 -0.063 20 0 CBADMP C[C@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000430951164 208193549 /nfs/dbraw/zinc/19/35/49/208193549.db2.gz UPBUHJVUNNTOSC-QWRGUYRKSA-N 2 1 263.407 -0.063 20 0 CBADMP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000430966477 208196520 /nfs/dbraw/zinc/19/65/20/208196520.db2.gz NUPPRLUYUBVLSH-SNVBAGLBSA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH2+]CC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000431023329 208197648 /nfs/dbraw/zinc/19/76/48/208197648.db2.gz QUKJMIZTMTXTEX-UHFFFAOYSA-N 2 1 291.399 -0.071 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)COC2C[NH2+]C2)C[N@H+]1C1CC1 ZINC000431027848 208200705 /nfs/dbraw/zinc/20/07/05/208200705.db2.gz YSNMYMVRMDKEFH-ZJUUUORDSA-N 2 1 253.346 -0.284 20 0 CBADMP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000433119179 208236403 /nfs/dbraw/zinc/23/64/03/208236403.db2.gz UGJDRVDIXBWDNX-CYBMUJFWSA-N 2 1 298.431 -0.160 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CCC1 ZINC000438538795 208311068 /nfs/dbraw/zinc/31/10/68/208311068.db2.gz WKHSLEIZLKXTRC-CYBMUJFWSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+](C)CCc1ccc(NC(=O)[C@H]([NH3+])CC(N)=O)cc1 ZINC000438885592 208312955 /nfs/dbraw/zinc/31/29/55/208312955.db2.gz MAMHGVWJQDMPMY-GFCCVEGCSA-N 2 1 278.356 -0.068 20 0 CBADMP C[NH+](C)CCc1ccc(NC(=O)[C@@H]([NH3+])CC(N)=O)cc1 ZINC000438885594 208313367 /nfs/dbraw/zinc/31/33/67/208313367.db2.gz MAMHGVWJQDMPMY-LBPRGKRZSA-N 2 1 278.356 -0.068 20 0 CBADMP C[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)[N@@H+]1CCCC[C@H]1C ZINC000438884240 208313407 /nfs/dbraw/zinc/31/34/07/208313407.db2.gz RHMPKDJMXUJTBW-GMTAPVOTSA-N 2 1 270.377 -0.432 20 0 CBADMP C[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)[N@H+]1CCCC[C@H]1C ZINC000438884240 208313411 /nfs/dbraw/zinc/31/34/11/208313411.db2.gz RHMPKDJMXUJTBW-GMTAPVOTSA-N 2 1 270.377 -0.432 20 0 CBADMP CC(C)NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436062199 208287709 /nfs/dbraw/zinc/28/77/09/208287709.db2.gz VKFSRWOPQVHODP-GFCCVEGCSA-N 2 1 284.404 -0.170 20 0 CBADMP CC(C)NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436062199 208287716 /nfs/dbraw/zinc/28/77/16/208287716.db2.gz VKFSRWOPQVHODP-GFCCVEGCSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](C)CCN1C)C1CC1 ZINC000440953511 208346654 /nfs/dbraw/zinc/34/66/54/208346654.db2.gz GGJHHEJEHOSSMO-CYBMUJFWSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000440953511 208346657 /nfs/dbraw/zinc/34/66/57/208346657.db2.gz GGJHHEJEHOSSMO-CYBMUJFWSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000440953511 208346658 /nfs/dbraw/zinc/34/66/58/208346658.db2.gz GGJHHEJEHOSSMO-CYBMUJFWSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442785820 208367162 /nfs/dbraw/zinc/36/71/62/208367162.db2.gz YLGNLIZEYSPMMH-XQHKEYJVSA-N 2 1 296.415 -0.232 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC(N)=O ZINC000345221388 285242980 /nfs/dbraw/zinc/24/29/80/285242980.db2.gz LOZSEEKYLXUYOF-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](C[NH3+])OC)CC1 ZINC000353511745 285322289 /nfs/dbraw/zinc/32/22/89/285322289.db2.gz KHZKBZJNKPISAT-OLZOCXBDSA-N 2 1 286.420 -0.650 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000261934117 285355874 /nfs/dbraw/zinc/35/58/74/285355874.db2.gz IULBCJZSRVJPCY-YPMHNXCESA-N 2 1 255.362 -0.096 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000261934117 285355875 /nfs/dbraw/zinc/35/58/75/285355875.db2.gz IULBCJZSRVJPCY-YPMHNXCESA-N 2 1 255.362 -0.096 20 0 CBADMP CN(C)c1nc(N2CCN(CC[NH3+])CC2)cc[nH+]1 ZINC000085435696 134505396 /nfs/dbraw/zinc/50/53/96/134505396.db2.gz QRWGJCFPQNYVEL-UHFFFAOYSA-N 2 1 250.350 -0.377 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000444168770 289020402 /nfs/dbraw/zinc/02/04/02/289020402.db2.gz JBIMCQATFQDNKX-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000575124109 335069464 /nfs/dbraw/zinc/06/94/64/335069464.db2.gz OJGUWJTXPGMNHZ-WDEREUQCSA-N 2 1 268.361 -0.107 20 0 CBADMP O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186650929 304332620 /nfs/dbraw/zinc/33/26/20/304332620.db2.gz OAFSKGFXPYYWQK-CHWSQXEVSA-N 2 1 294.399 -0.591 20 0 CBADMP CO[C@H]1C[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)[N@H+](C)C1 ZINC000331308024 286086487 /nfs/dbraw/zinc/08/64/87/286086487.db2.gz BFBLTMMDUKCKFZ-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@H]1C[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000331308024 286086489 /nfs/dbraw/zinc/08/64/89/286086489.db2.gz BFBLTMMDUKCKFZ-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351472531 289238810 /nfs/dbraw/zinc/23/88/10/289238810.db2.gz AZYYYOCPVWFPGH-SDDRHHMPSA-N 2 1 275.418 -0.063 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N[C@H](C)CC[NH3+] ZINC000417755673 292337063 /nfs/dbraw/zinc/33/70/63/292337063.db2.gz QYNNMGPXBHPKLL-LLVKDONJSA-N 2 1 260.382 -0.009 20 0 CBADMP COCCC[N@H+]1CCCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000367534856 292352673 /nfs/dbraw/zinc/35/26/73/292352673.db2.gz YWIQJQBBLPSJJW-GFCCVEGCSA-N 2 1 273.377 -0.469 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)CCOC2C[NH2+]C2)C[C@@H]1C ZINC000348988560 287088897 /nfs/dbraw/zinc/08/88/97/287088897.db2.gz BAVJCBLPNDRYME-NWDGAFQWSA-N 2 1 285.388 -0.722 20 0 CBADMP 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 287092141 /nfs/dbraw/zinc/09/21/41/287092141.db2.gz RVVHYBKWCYAFQR-OBPIAQAESA-N 2 1 282.388 -0.699 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2)CC1 ZINC000020269917 171125592 /nfs/dbraw/zinc/12/55/92/171125592.db2.gz GUWAKMWPTQGHPK-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP C[NH+](C)C/C=C\C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000491905305 412290254 /nfs/dbraw/zinc/29/02/54/412290254.db2.gz MGGCEUOQRLXIPP-KMSCOEIWSA-N 2 1 282.388 -0.440 20 0 CBADMP COCC[NH2+]CCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000418504354 292561431 /nfs/dbraw/zinc/56/14/31/292561431.db2.gz BMHVTRQFXHHHBS-GFCCVEGCSA-N 2 1 276.356 -0.435 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662747178 413990810 /nfs/dbraw/zinc/99/08/10/413990810.db2.gz UMGFQEZKQDMJQG-WOPDTQHZSA-N 2 1 255.362 -0.192 20 0 CBADMP [NH3+]CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000040605592 174353085 /nfs/dbraw/zinc/35/30/85/174353085.db2.gz JJUHMDGOEHCYBV-UHFFFAOYSA-N 2 1 276.384 -0.121 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000419412064 287348817 /nfs/dbraw/zinc/34/88/17/287348817.db2.gz QLCZTSSZKDZJTP-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000331370150 228095790 /nfs/dbraw/zinc/09/57/90/228095790.db2.gz CXYDVNBEOXTAGB-WZRBSPASSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)N(C)C ZINC000078733869 544425869 /nfs/dbraw/zinc/42/58/69/544425869.db2.gz MPXJJOBZDWIQRV-LBPRGKRZSA-N 2 1 258.410 -0.112 20 0 CBADMP CN(C[C@H](O)CN1CCOCC1)C(=O)[C@H]1CCCCN1C ZINC000083002110 544430866 /nfs/dbraw/zinc/43/08/66/544430866.db2.gz YERQZLFNWMSUEP-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP [NH3+]CCn1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)nn1 ZINC000089699039 544436970 /nfs/dbraw/zinc/43/69/70/544436970.db2.gz OIOZEFHXTYXEEA-ZYHUDNBSSA-N 2 1 278.360 -0.407 20 0 CBADMP CC(C)[C@@H](CNC(=O)COCC[NH3+])N1CC[NH+](C)CC1 ZINC000093231846 544443447 /nfs/dbraw/zinc/44/34/47/544443447.db2.gz FTUDYRNYYVJFSB-CYBMUJFWSA-N 2 1 286.420 -0.650 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000094295505 544444592 /nfs/dbraw/zinc/44/45/92/544444592.db2.gz HRFHNNFAKVDVID-LLVKDONJSA-N 2 1 254.378 -0.380 20 0 CBADMP C[C@H]1C[C@H](NC(=O)COC2(C)C[NH2+]C2)CC[N@H+]1C ZINC000098061765 544447218 /nfs/dbraw/zinc/44/72/18/544447218.db2.gz CIMVPKGJBVRQDZ-WDEREUQCSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H](CO)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000121247284 544450372 /nfs/dbraw/zinc/45/03/72/544450372.db2.gz RETCSFUIMPNYKQ-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](CO)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000121247284 544450376 /nfs/dbraw/zinc/45/03/76/544450376.db2.gz RETCSFUIMPNYKQ-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cn(CC[NH3+])nn3)CC[C@H]21 ZINC000227334171 544494580 /nfs/dbraw/zinc/49/45/80/544494580.db2.gz FYTXDVQKGCIAFT-DGCLKSJQSA-N 2 1 292.387 -0.207 20 0 CBADMP CC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(CC)CC1 ZINC000130612596 544458864 /nfs/dbraw/zinc/45/88/64/544458864.db2.gz GZCHQXXQXYVZAG-GFCCVEGCSA-N 2 1 256.394 -0.133 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000167516497 544476959 /nfs/dbraw/zinc/47/69/59/544476959.db2.gz JBXUQKHZQSYAQT-AGIUHOORSA-N 2 1 267.373 -0.083 20 0 CBADMP O=C(NC[C@H]1C[NH2+]CCO1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000333575534 544545160 /nfs/dbraw/zinc/54/51/60/544545160.db2.gz SQVNQDVZFGNDQF-QWHCGFSZSA-N 2 1 282.388 -0.146 20 0 CBADMP C[NH+]1CCN(C(=O)CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000250422489 544513716 /nfs/dbraw/zinc/51/37/16/544513716.db2.gz ZOYDAKCJYGVFOE-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCN(C(=O)CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250422489 544513722 /nfs/dbraw/zinc/51/37/22/544513722.db2.gz ZOYDAKCJYGVFOE-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[C@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@H]1[NH3+] ZINC000251888221 544514490 /nfs/dbraw/zinc/51/44/90/544514490.db2.gz VUXCSFCATQLORC-CMPLNLGQSA-N 2 1 280.372 -0.357 20 0 CBADMP CC[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@H]1[NH3+] ZINC000251888221 544514495 /nfs/dbraw/zinc/51/44/95/544514495.db2.gz VUXCSFCATQLORC-CMPLNLGQSA-N 2 1 280.372 -0.357 20 0 CBADMP C[NH+](C/C=C/C[N@H+](C)C(C)(C)C(N)=O)C(C)(C)C(N)=O ZINC000660648823 419419491 /nfs/dbraw/zinc/41/94/91/419419491.db2.gz XQKRCZZQDCFFEH-BQYQJAHWSA-N 2 1 284.404 -0.066 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)C1CCC1 ZINC000661153622 419475692 /nfs/dbraw/zinc/47/56/92/419475692.db2.gz LDBHJNYLVBAHBW-CHWSQXEVSA-N 2 1 260.378 -0.324 20 0 CBADMP CC[C@H]1C[N@H+](CCN2C(=O)CNC2=O)CC[C@@H]1[NH3+] ZINC000122748186 419491748 /nfs/dbraw/zinc/49/17/48/419491748.db2.gz RFCTZUASHJYRHE-UWVGGRQHSA-N 2 1 254.334 -0.403 20 0 CBADMP CC[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)CC[C@@H]1[NH3+] ZINC000122748186 419491754 /nfs/dbraw/zinc/49/17/54/419491754.db2.gz RFCTZUASHJYRHE-UWVGGRQHSA-N 2 1 254.334 -0.403 20 0 CBADMP C[NH2+]CCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000043604791 419429034 /nfs/dbraw/zinc/42/90/34/419429034.db2.gz KIPZRMWXFGYYKJ-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP CNC(=O)[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000043499896 419432051 /nfs/dbraw/zinc/43/20/51/419432051.db2.gz ZNRQARDTSQTYPE-LBPRGKRZSA-N 2 1 254.378 -0.508 20 0 CBADMP CNC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660833751 419445545 /nfs/dbraw/zinc/44/55/45/419445545.db2.gz UXSIZQAGCQJZQO-NEPJUHHUSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660833751 419445555 /nfs/dbraw/zinc/44/55/55/419445555.db2.gz UXSIZQAGCQJZQO-NEPJUHHUSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000660833751 419445561 /nfs/dbraw/zinc/44/55/61/419445561.db2.gz UXSIZQAGCQJZQO-NEPJUHHUSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660833751 419445574 /nfs/dbraw/zinc/44/55/74/419445574.db2.gz UXSIZQAGCQJZQO-NEPJUHHUSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660833754 419445670 /nfs/dbraw/zinc/44/56/70/419445670.db2.gz UXSIZQAGCQJZQO-VXGBXAGGSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660833754 419445678 /nfs/dbraw/zinc/44/56/78/419445678.db2.gz UXSIZQAGCQJZQO-VXGBXAGGSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000660833754 419445684 /nfs/dbraw/zinc/44/56/84/419445684.db2.gz UXSIZQAGCQJZQO-VXGBXAGGSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660833754 419445692 /nfs/dbraw/zinc/44/56/92/419445692.db2.gz UXSIZQAGCQJZQO-VXGBXAGGSA-N 2 1 257.378 -0.245 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000660926875 419458263 /nfs/dbraw/zinc/45/82/63/419458263.db2.gz SNOXPZMXDXSRJG-BFHYXJOUSA-N 2 1 271.405 -0.562 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000660926875 419458274 /nfs/dbraw/zinc/45/82/74/419458274.db2.gz SNOXPZMXDXSRJG-BFHYXJOUSA-N 2 1 271.405 -0.562 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000660926875 419458287 /nfs/dbraw/zinc/45/82/87/419458287.db2.gz SNOXPZMXDXSRJG-BFHYXJOUSA-N 2 1 271.405 -0.562 20 0 CBADMP CCc1noc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000063180292 419462259 /nfs/dbraw/zinc/46/22/59/419462259.db2.gz GLWBVHJFCFOBAD-SNVBAGLBSA-N 2 1 281.360 -0.081 20 0 CBADMP CCc1noc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000063180292 419462266 /nfs/dbraw/zinc/46/22/66/419462266.db2.gz GLWBVHJFCFOBAD-SNVBAGLBSA-N 2 1 281.360 -0.081 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCC(F)(F)F ZINC000071150509 419468547 /nfs/dbraw/zinc/46/85/47/419468547.db2.gz WURPXPFMVRNLJJ-UHFFFAOYSA-N 2 1 282.310 -0.498 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCC(F)(F)F ZINC000071150509 419468553 /nfs/dbraw/zinc/46/85/53/419468553.db2.gz WURPXPFMVRNLJJ-UHFFFAOYSA-N 2 1 282.310 -0.498 20 0 CBADMP CC(C)CNC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150717 419468896 /nfs/dbraw/zinc/46/88/96/419468896.db2.gz CIOYJIXCAULLKE-ZDUSSCGKSA-N 2 1 270.421 -0.016 20 0 CBADMP CC(C)CNC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150717 419468904 /nfs/dbraw/zinc/46/89/04/419468904.db2.gz CIOYJIXCAULLKE-ZDUSSCGKSA-N 2 1 270.421 -0.016 20 0 CBADMP CCCNC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150746 419470406 /nfs/dbraw/zinc/47/04/06/419470406.db2.gz HGBXTRSNHOWNOU-LBPRGKRZSA-N 2 1 256.394 -0.262 20 0 CBADMP CCCNC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150746 419470412 /nfs/dbraw/zinc/47/04/12/419470412.db2.gz HGBXTRSNHOWNOU-LBPRGKRZSA-N 2 1 256.394 -0.262 20 0 CBADMP COCCCNC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150785 419470874 /nfs/dbraw/zinc/47/08/74/419470874.db2.gz BIDRQUXOQQWOOT-CYBMUJFWSA-N 2 1 286.420 -0.635 20 0 CBADMP COCCCNC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150785 419470888 /nfs/dbraw/zinc/47/08/88/419470888.db2.gz BIDRQUXOQQWOOT-CYBMUJFWSA-N 2 1 286.420 -0.635 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150782 419471007 /nfs/dbraw/zinc/47/10/07/419471007.db2.gz DORGLPKIJQJDDC-LLVKDONJSA-N 2 1 254.378 -0.510 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150782 419471013 /nfs/dbraw/zinc/47/10/13/419471013.db2.gz DORGLPKIJQJDDC-LLVKDONJSA-N 2 1 254.378 -0.510 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)C1CCC1 ZINC000661153622 419475681 /nfs/dbraw/zinc/47/56/81/419475681.db2.gz LDBHJNYLVBAHBW-CHWSQXEVSA-N 2 1 260.378 -0.324 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000662152396 419548334 /nfs/dbraw/zinc/54/83/34/419548334.db2.gz UAMRMOADIQIKJB-LSDHHAIUSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152396 419548342 /nfs/dbraw/zinc/54/83/42/419548342.db2.gz UAMRMOADIQIKJB-LSDHHAIUSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152396 419548351 /nfs/dbraw/zinc/54/83/51/419548351.db2.gz UAMRMOADIQIKJB-LSDHHAIUSA-N 2 1 285.432 -0.170 20 0 CBADMP CCOC[C@H](O)CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662157735 419552090 /nfs/dbraw/zinc/55/20/90/419552090.db2.gz PWLJLTVAALGQGM-UONOGXRCSA-N 2 1 272.389 -0.085 20 0 CBADMP C[C@@H](C(=O)N(C)C)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662157883 419552177 /nfs/dbraw/zinc/55/21/77/419552177.db2.gz SQRCIQQJWYPWQB-AAEUAGOBSA-N 2 1 269.389 -0.006 20 0 CBADMP CC[N@H+](C)CCNC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000194833945 419552680 /nfs/dbraw/zinc/55/26/80/419552680.db2.gz MBUSIDIHRXUJJW-UHFFFAOYSA-N 2 1 299.419 -0.552 20 0 CBADMP CC[N@@H+](C)CCNC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000194833945 419552691 /nfs/dbraw/zinc/55/26/91/419552691.db2.gz MBUSIDIHRXUJJW-UHFFFAOYSA-N 2 1 299.419 -0.552 20 0 CBADMP O=C([C@H]1CCC[N@@H+](C[C@H]2CNCCO2)C1)N1CC[NH2+]CC1 ZINC000662243512 419557552 /nfs/dbraw/zinc/55/75/52/419557552.db2.gz MKUZDCKRDNITRL-UONOGXRCSA-N 2 1 296.415 -0.881 20 0 CBADMP COC[C@@H](C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)OC ZINC000662243576 419558145 /nfs/dbraw/zinc/55/81/45/419558145.db2.gz NCXBGLAKNZIVBG-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242027 419559776 /nfs/dbraw/zinc/55/97/76/419559776.db2.gz AQRATRKZHQWSBT-STQMWFEESA-N 3 1 296.415 -0.706 20 0 CBADMP CC(C)NC(=O)C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249549 419561112 /nfs/dbraw/zinc/56/11/12/419561112.db2.gz WPROGHCPTPOCSZ-LLVKDONJSA-N 2 1 255.362 -0.036 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249549 419561116 /nfs/dbraw/zinc/56/11/16/419561116.db2.gz WPROGHCPTPOCSZ-LLVKDONJSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]([NH3+])CCNc1nc(N2CCOCC2)cc[nH+]1 ZINC000643000190 419561510 /nfs/dbraw/zinc/56/15/10/419561510.db2.gz NVBJFSXVADXTSI-SNVBAGLBSA-N 2 1 251.334 0.462 20 0 CBADMP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256803 419561834 /nfs/dbraw/zinc/56/18/34/419561834.db2.gz KSXNYBZKYMQUKN-GRYCIOLGSA-N 2 1 265.357 -0.140 20 0 CBADMP CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258382 419568760 /nfs/dbraw/zinc/56/87/60/419568760.db2.gz UCRDEOXHPSPVIZ-WDEREUQCSA-N 2 1 253.346 -0.282 20 0 CBADMP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258382 419568766 /nfs/dbraw/zinc/56/87/66/419568766.db2.gz UCRDEOXHPSPVIZ-WDEREUQCSA-N 2 1 253.346 -0.282 20 0 CBADMP CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254249 419563766 /nfs/dbraw/zinc/56/37/66/419563766.db2.gz GLBUXZSAHOPLHB-GHMZBOCLSA-N 2 1 289.401 -0.869 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256740 419564290 /nfs/dbraw/zinc/56/42/90/419564290.db2.gz YKIMSOXGUQRYRV-VXGBXAGGSA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@@H+](CC(=O)N1CCOCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252269 419564441 /nfs/dbraw/zinc/56/44/41/419564441.db2.gz NJZFUMBYRACUBW-GFCCVEGCSA-N 2 1 283.372 -0.702 20 0 CBADMP C[N@H+](CC(=O)N1CCOCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252269 419564449 /nfs/dbraw/zinc/56/44/49/419564449.db2.gz NJZFUMBYRACUBW-GFCCVEGCSA-N 2 1 283.372 -0.702 20 0 CBADMP CC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258379 419565508 /nfs/dbraw/zinc/56/55/08/419565508.db2.gz UCRDEOXHPSPVIZ-GHMZBOCLSA-N 2 1 253.346 -0.282 20 0 CBADMP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258379 419565514 /nfs/dbraw/zinc/56/55/14/419565514.db2.gz UCRDEOXHPSPVIZ-GHMZBOCLSA-N 2 1 253.346 -0.282 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H]1CNCCO1 ZINC000662272210 419566022 /nfs/dbraw/zinc/56/60/22/419566022.db2.gz MDEAPXBSDGFWBV-QWHCGFSZSA-N 2 1 284.404 -0.706 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H]1CNCCO1 ZINC000662272210 419566032 /nfs/dbraw/zinc/56/60/32/419566032.db2.gz MDEAPXBSDGFWBV-QWHCGFSZSA-N 2 1 284.404 -0.706 20 0 CBADMP CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258759 419566410 /nfs/dbraw/zinc/56/64/10/419566410.db2.gz XKSJSVGWRABLCN-NEPJUHHUSA-N 2 1 267.373 -0.036 20 0 CBADMP CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258759 419566416 /nfs/dbraw/zinc/56/64/16/419566416.db2.gz XKSJSVGWRABLCN-NEPJUHHUSA-N 2 1 267.373 -0.036 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccn([C@@H]3CC[NH2+]C3)n2)C1 ZINC000328633604 419632014 /nfs/dbraw/zinc/63/20/14/419632014.db2.gz SQCNPLRUXAVNLD-NEPJUHHUSA-N 2 1 293.371 0.077 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)Nc2ccn([C@@H]3CC[NH2+]C3)n2)C1 ZINC000328633604 419632021 /nfs/dbraw/zinc/63/20/21/419632021.db2.gz SQCNPLRUXAVNLD-NEPJUHHUSA-N 2 1 293.371 0.077 20 0 CBADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394373608 544579741 /nfs/dbraw/zinc/57/97/41/544579741.db2.gz NCNOTEVDJZJDAN-STQMWFEESA-N 2 1 268.405 -0.134 20 0 CBADMP COC[C@H](C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])OC ZINC000662271686 419569560 /nfs/dbraw/zinc/56/95/60/419569560.db2.gz IKQFALGCOHASSY-STQMWFEESA-N 2 1 287.404 -0.033 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCCO1 ZINC000662283031 419572878 /nfs/dbraw/zinc/57/28/78/419572878.db2.gz ZQCINTITQDDMLL-VXGBXAGGSA-N 3 1 255.362 -0.443 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNc1nc(N)[nH+]c2c1CCCC2 ZINC000645167085 419573185 /nfs/dbraw/zinc/57/31/85/419573185.db2.gz JKYKOJOFQISHIV-NSHDSACASA-N 2 1 290.415 0.017 20 0 CBADMP CCO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1C[NH3+] ZINC000662285854 419573219 /nfs/dbraw/zinc/57/32/19/419573219.db2.gz NTMOASAAZXZLTE-IJLUTSLNSA-N 2 1 255.362 -0.097 20 0 CBADMP CCO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1C[NH3+] ZINC000662285854 419573225 /nfs/dbraw/zinc/57/32/25/419573225.db2.gz NTMOASAAZXZLTE-IJLUTSLNSA-N 2 1 255.362 -0.097 20 0 CBADMP CC(C)[NH2+]CCC(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000394389997 544580870 /nfs/dbraw/zinc/58/08/70/544580870.db2.gz VDRROUGGBAFQEL-CYBMUJFWSA-N 2 1 268.405 -0.119 20 0 CBADMP O=C(CC[NH2+]C1CC1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394381065 544580951 /nfs/dbraw/zinc/58/09/51/544580951.db2.gz CGANALFYTLGEQB-ZDUSSCGKSA-N 2 1 266.389 -0.365 20 0 CBADMP C[C@]1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC[NH2+]C1 ZINC000394381549 544581104 /nfs/dbraw/zinc/58/11/04/544581104.db2.gz MIKGWSHVDRVACV-JSGCOSHPSA-N 2 1 266.389 -0.508 20 0 CBADMP Cc1[nH+]ccn1CCCN(CC[NH3+])C[C@@H](O)CO ZINC000662288593 419578889 /nfs/dbraw/zinc/57/88/89/419578889.db2.gz QSVACVSMEQVXHZ-GFCCVEGCSA-N 2 1 256.350 -0.804 20 0 CBADMP C[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC[NH2+]C1 ZINC000394381551 544581275 /nfs/dbraw/zinc/58/12/75/544581275.db2.gz MIKGWSHVDRVACV-OCCSQVGLSA-N 2 1 266.389 -0.508 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000237152460 419579372 /nfs/dbraw/zinc/57/93/72/419579372.db2.gz APDNHODWRHVIFJ-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237018263 419579452 /nfs/dbraw/zinc/57/94/52/419579452.db2.gz GPMNSBZPRSMNHM-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000237449321 419580213 /nfs/dbraw/zinc/58/02/13/419580213.db2.gz IGKVZNZWKDCHAO-NEPJUHHUSA-N 2 1 271.361 -0.798 20 0 CBADMP C[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)C[NH+]1CCOCC1 ZINC000237406515 419581758 /nfs/dbraw/zinc/58/17/58/419581758.db2.gz ANGNBIYVXSRLPO-KGLIPLIRSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662326242 419585397 /nfs/dbraw/zinc/58/53/97/419585397.db2.gz XKGSAQNICAAVMQ-JHJVBQTASA-N 2 1 286.395 -0.090 20 0 CBADMP NC(=O)Cn1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)nn1 ZINC000647483023 419592164 /nfs/dbraw/zinc/59/21/64/419592164.db2.gz RUJVCMVLMQWUQB-ZDUSSCGKSA-N 2 1 292.387 -0.273 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC2(C[NH3+])CC2)C1 ZINC000647489189 419594857 /nfs/dbraw/zinc/59/48/57/419594857.db2.gz VZGRHFVUDKVEMP-LLVKDONJSA-N 3 1 254.378 -0.488 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(CC2(C[NH3+])CC2)C1 ZINC000647489189 419594862 /nfs/dbraw/zinc/59/48/62/419594862.db2.gz VZGRHFVUDKVEMP-LLVKDONJSA-N 2 1 254.378 -0.488 20 0 CBADMP CS(=O)(=O)NC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000647513639 419597353 /nfs/dbraw/zinc/59/73/53/419597353.db2.gz TTYQOQCQCLOJSF-LLVKDONJSA-N 2 1 275.418 0.000 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC[N@@H+]1CCOC ZINC000262342601 419598427 /nfs/dbraw/zinc/59/84/27/419598427.db2.gz GIFJVUQPPXMUKY-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC[N@H+]1CCOC ZINC000262342601 419598434 /nfs/dbraw/zinc/59/84/34/419598434.db2.gz GIFJVUQPPXMUKY-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@]1(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CC[NH2+]C1 ZINC000262022135 419599812 /nfs/dbraw/zinc/59/98/12/419599812.db2.gz NGBIEJKNFOHLFN-NEPJUHHUSA-N 2 1 275.418 -0.014 20 0 CBADMP C[C@]1(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CC[NH2+]C1 ZINC000262022135 419599824 /nfs/dbraw/zinc/59/98/24/419599824.db2.gz NGBIEJKNFOHLFN-NEPJUHHUSA-N 2 1 275.418 -0.014 20 0 CBADMP [NH3+]C1(CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000398073108 544583813 /nfs/dbraw/zinc/58/38/13/544583813.db2.gz JUQNSVLIFQVDKX-LLVKDONJSA-N 2 1 252.362 -0.626 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662439976 419604985 /nfs/dbraw/zinc/60/49/85/419604985.db2.gz UMEIJVKUMGCODP-NSHDSACASA-N 2 1 295.387 -0.205 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])COC(C)C)C1 ZINC000662453089 419611205 /nfs/dbraw/zinc/61/12/05/419611205.db2.gz SVOUKZWUNLRAQD-NEPJUHHUSA-N 2 1 273.377 -0.424 20 0 CBADMP COC[C@]1(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC[NH2+]C1 ZINC000310865514 419618557 /nfs/dbraw/zinc/61/85/57/419618557.db2.gz RKWBPIXIEBYFJT-AAEUAGOBSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000647594967 419618764 /nfs/dbraw/zinc/61/87/64/419618764.db2.gz CEGVUJWUNCKBDS-RVMXOQNASA-N 2 1 296.415 -0.029 20 0 CBADMP CC(C)[NH2+]CC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000662480366 419619005 /nfs/dbraw/zinc/61/90/05/419619005.db2.gz RQPDFIALLKUBCV-ZDUSSCGKSA-N 2 1 270.421 -0.016 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000647594962 419619818 /nfs/dbraw/zinc/61/98/18/419619818.db2.gz BFNXUASTMRCRFD-AXFHLTTASA-N 2 1 284.404 -0.173 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000647595064 419620216 /nfs/dbraw/zinc/62/02/16/419620216.db2.gz LMNMSXAWJUUUCC-SRVKXCTJSA-N 2 1 296.415 -0.005 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000647597699 419620759 /nfs/dbraw/zinc/62/07/59/419620759.db2.gz JBWYTTBLLYVCQW-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000662497458 419622797 /nfs/dbraw/zinc/62/27/97/419622797.db2.gz JNOQLNWOBVLWOE-ONGXEEELSA-N 2 1 278.360 -0.551 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662497684 419627804 /nfs/dbraw/zinc/62/78/04/419627804.db2.gz JCOYNKJNEJRVDK-LBPRGKRZSA-N 2 1 294.403 -0.056 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccn([C@H]3CC[NH2+]C3)n2)C1 ZINC000328633605 419630570 /nfs/dbraw/zinc/63/05/70/419630570.db2.gz SQCNPLRUXAVNLD-NWDGAFQWSA-N 2 1 293.371 0.077 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccn([C@H]3CC[NH2+]C3)n2)C1 ZINC000328633605 419630577 /nfs/dbraw/zinc/63/05/77/419630577.db2.gz SQCNPLRUXAVNLD-NWDGAFQWSA-N 2 1 293.371 0.077 20 0 CBADMP C[NH+](C)CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000647821814 419661020 /nfs/dbraw/zinc/66/10/20/419661020.db2.gz MQYMVQJMGPQZER-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP C[NH+](C)CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000647821814 419661022 /nfs/dbraw/zinc/66/10/22/419661022.db2.gz MQYMVQJMGPQZER-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP Cn1c(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc(=O)n(C)c1=O ZINC000647814239 419662557 /nfs/dbraw/zinc/66/25/57/419662557.db2.gz FDVXJJCJOQNKQM-UHFFFAOYSA-N 2 1 292.383 -0.200 20 0 CBADMP Cn1c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc(=O)n(C)c1=O ZINC000647814239 419662562 /nfs/dbraw/zinc/66/25/62/419662562.db2.gz FDVXJJCJOQNKQM-UHFFFAOYSA-N 2 1 292.383 -0.200 20 0 CBADMP Cn1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1=O ZINC000647835787 419665737 /nfs/dbraw/zinc/66/57/37/419665737.db2.gz OKIQWNVZENOMNH-UHFFFAOYSA-N 2 1 264.373 -0.278 20 0 CBADMP C[C@H](CN1CCOCC1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647836139 419665823 /nfs/dbraw/zinc/66/58/23/419665823.db2.gz AOHJEGTZMNQDAF-CQSZACIVSA-N 2 1 270.421 -0.456 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647836236 419669223 /nfs/dbraw/zinc/66/92/23/419669223.db2.gz SDSXKJNPEJOGPL-UHFFFAOYSA-N 2 1 292.449 -0.847 20 0 CBADMP O=C(C[C@@H]1CC[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655205 419671361 /nfs/dbraw/zinc/67/13/61/419671361.db2.gz HGVWWGORLUXOKO-QWHCGFSZSA-N 2 1 267.373 -0.081 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000647865703 419675872 /nfs/dbraw/zinc/67/58/72/419675872.db2.gz QUYXSDQDSDYOBR-AGIUHOORSA-N 2 1 257.378 -0.245 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000647865703 419675878 /nfs/dbraw/zinc/67/58/78/419675878.db2.gz QUYXSDQDSDYOBR-AGIUHOORSA-N 2 1 257.378 -0.245 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662679750 419679621 /nfs/dbraw/zinc/67/96/21/419679621.db2.gz UPPDAFCPECIEQW-XYPYZODXSA-N 2 1 268.361 -0.996 20 0 CBADMP CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647877061 419679962 /nfs/dbraw/zinc/67/99/62/419679962.db2.gz HBJSIGPCCDMIHY-RYUDHWBXSA-N 2 1 275.418 -0.143 20 0 CBADMP CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647877061 419679968 /nfs/dbraw/zinc/67/99/68/419679968.db2.gz HBJSIGPCCDMIHY-RYUDHWBXSA-N 2 1 275.418 -0.143 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662681611 419679960 /nfs/dbraw/zinc/67/99/60/419679960.db2.gz KABFQUNWSVJLMS-ZDUSSCGKSA-N 2 1 296.415 -0.299 20 0 CBADMP CN1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)[C@@H](C[NH3+])C1 ZINC000647873515 419681058 /nfs/dbraw/zinc/68/10/58/419681058.db2.gz UYDHXLGDBPGIJB-QWRGUYRKSA-N 2 1 277.372 -0.069 20 0 CBADMP CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647877270 419682732 /nfs/dbraw/zinc/68/27/32/419682732.db2.gz MUNBTRJXHCCXFI-RYUDHWBXSA-N 2 1 275.418 0.000 20 0 CBADMP CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647877270 419682740 /nfs/dbraw/zinc/68/27/40/419682740.db2.gz MUNBTRJXHCCXFI-RYUDHWBXSA-N 2 1 275.418 0.000 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662680152 419683061 /nfs/dbraw/zinc/68/30/61/419683061.db2.gz WVUBUODVQMYPJJ-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)N1CC[NH+](C)CC1 ZINC000647877247 419685071 /nfs/dbraw/zinc/68/50/71/419685071.db2.gz MCNCOIDOFPMGQZ-XQQFMLRXSA-N 2 1 284.404 -0.803 20 0 CBADMP CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647877268 419685273 /nfs/dbraw/zinc/68/52/73/419685273.db2.gz MUNBTRJXHCCXFI-NEPJUHHUSA-N 2 1 275.418 0.000 20 0 CBADMP CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647877268 419685279 /nfs/dbraw/zinc/68/52/79/419685279.db2.gz MUNBTRJXHCCXFI-NEPJUHHUSA-N 2 1 275.418 0.000 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C1(O)C[NH2+]C1 ZINC000662689884 419685677 /nfs/dbraw/zinc/68/56/77/419685677.db2.gz XYPWIEBPECUNLH-SECBINFHSA-N 2 1 252.318 -0.722 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647890794 419686152 /nfs/dbraw/zinc/68/61/52/419686152.db2.gz VSJZSVHGWFSBKJ-GHMZBOCLSA-N 2 1 261.391 -0.391 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647890794 419686158 /nfs/dbraw/zinc/68/61/58/419686158.db2.gz VSJZSVHGWFSBKJ-GHMZBOCLSA-N 2 1 261.391 -0.391 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647890796 419686310 /nfs/dbraw/zinc/68/63/10/419686310.db2.gz VSJZSVHGWFSBKJ-QWRGUYRKSA-N 2 1 261.391 -0.391 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647890796 419686316 /nfs/dbraw/zinc/68/63/16/419686316.db2.gz VSJZSVHGWFSBKJ-QWRGUYRKSA-N 2 1 261.391 -0.391 20 0 CBADMP [NH3+]C[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000647909286 419686493 /nfs/dbraw/zinc/68/64/93/419686493.db2.gz VVLMKCKEYFGVSC-FRRDWIJNSA-N 2 1 255.362 -0.491 20 0 CBADMP [NH3+]C[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000647909286 419686504 /nfs/dbraw/zinc/68/65/04/419686504.db2.gz VVLMKCKEYFGVSC-FRRDWIJNSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(O)C[NH2+]C1 ZINC000662695825 419690926 /nfs/dbraw/zinc/69/09/26/419690926.db2.gz PZMPPIVATIYIMA-GRYCIOLGSA-N 2 1 269.389 -0.197 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662703213 419692561 /nfs/dbraw/zinc/69/25/61/419692561.db2.gz GWIIYLCXHRHSSU-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662702998 419694973 /nfs/dbraw/zinc/69/49/73/419694973.db2.gz GCLZKQZCAAEKSI-QWRGUYRKSA-N 2 1 259.350 -0.955 20 0 CBADMP COCC1([NH2+]CCC(=O)N2CC[NH+](C)CC2)CCOCC1 ZINC000647952328 419695613 /nfs/dbraw/zinc/69/56/13/419695613.db2.gz XCUVIJVNKHQUTL-UHFFFAOYSA-N 2 1 299.415 -0.064 20 0 CBADMP C[NH2+]CCN(C)C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000417559919 544591289 /nfs/dbraw/zinc/59/12/89/544591289.db2.gz ATEFFDYISHJRSK-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000662711853 419697073 /nfs/dbraw/zinc/69/70/73/419697073.db2.gz FEXZBKNTZVKHLN-YUSALJHKSA-N 2 1 255.362 -0.051 20 0 CBADMP C[NH2+]C[C@@H]1C[C@H](F)CN1CCC(=O)N1CC[NH+](C)CC1 ZINC000647958745 419698060 /nfs/dbraw/zinc/69/80/60/419698060.db2.gz ZKVAPFBFUDGVIK-STQMWFEESA-N 2 1 286.395 -0.218 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@H]1C ZINC000662725291 419701117 /nfs/dbraw/zinc/70/11/17/419701117.db2.gz YUGCBBRPPMWYKY-UPJWGTAASA-N 2 1 285.388 -0.471 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@H]1C ZINC000662725291 419701122 /nfs/dbraw/zinc/70/11/22/419701122.db2.gz YUGCBBRPPMWYKY-UPJWGTAASA-N 2 1 285.388 -0.471 20 0 CBADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000647986123 419701687 /nfs/dbraw/zinc/70/16/87/419701687.db2.gz SOQBOUQJFVUPGJ-CYBMUJFWSA-N 2 1 299.415 -0.174 20 0 CBADMP COCCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000647986123 419701698 /nfs/dbraw/zinc/70/16/98/419701698.db2.gz SOQBOUQJFVUPGJ-CYBMUJFWSA-N 2 1 299.415 -0.174 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662743283 419706259 /nfs/dbraw/zinc/70/62/59/419706259.db2.gz NFZDEYYYIAVILY-RYUDHWBXSA-N 2 1 273.377 -0.565 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC2)C1 ZINC000662760507 419711790 /nfs/dbraw/zinc/71/17/90/419711790.db2.gz WROHEQWDCHBRRL-IHRRRGAJSA-N 2 1 280.416 -0.038 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662619457 419654084 /nfs/dbraw/zinc/65/40/84/419654084.db2.gz LTUZGSZXHZDVCT-JTQLQIEISA-N 2 1 280.376 -0.161 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662621935 419654349 /nfs/dbraw/zinc/65/43/49/419654349.db2.gz MFQDOTVYAZMFML-RYUDHWBXSA-N 2 1 296.415 -0.156 20 0 CBADMP O=C(N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1(O)C[NH2+]C1 ZINC000662805866 419731783 /nfs/dbraw/zinc/73/17/83/419731783.db2.gz ODAMKICLVFZRKY-DGCLKSJQSA-N 2 1 279.384 -0.204 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](C)CC1 ZINC000648124127 419738892 /nfs/dbraw/zinc/73/88/92/419738892.db2.gz RPJPYPBFNNYERT-MGPQQGTHSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](C)CC1 ZINC000648124125 419739186 /nfs/dbraw/zinc/73/91/86/419739186.db2.gz RPJPYPBFNNYERT-HZSPNIEDSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000648136204 419750435 /nfs/dbraw/zinc/75/04/35/419750435.db2.gz GYMDPIUEEJMDMI-MGPQQGTHSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[N@H+]1C ZINC000648138330 419751092 /nfs/dbraw/zinc/75/10/92/419751092.db2.gz BTULFZXARZQBOH-HZSPNIEDSA-N 2 1 280.416 -0.167 20 0 CBADMP [NH3+]C1(CC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000662870646 419756361 /nfs/dbraw/zinc/75/63/61/419756361.db2.gz JVQQNUOTVNLZNL-LLVKDONJSA-N 2 1 253.346 -0.199 20 0 CBADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662906404 419765731 /nfs/dbraw/zinc/76/57/31/419765731.db2.gz JZSMLKOPPQMYES-STQMWFEESA-N 2 1 284.404 -0.755 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000662906406 419768037 /nfs/dbraw/zinc/76/80/37/419768037.db2.gz KAQSIDNECDUCIN-FMKPAKJESA-N 2 1 292.427 -0.118 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662913646 419772832 /nfs/dbraw/zinc/77/28/32/419772832.db2.gz RXGHKTAJYRMPJG-SRVKXCTJSA-N 2 1 255.362 -0.049 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000662931097 419781032 /nfs/dbraw/zinc/78/10/32/419781032.db2.gz ANQNTLCXOFXVSJ-UHFFFAOYSA-N 2 1 282.388 -0.510 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648773121 419799729 /nfs/dbraw/zinc/79/97/29/419799729.db2.gz YFEMDNXDVZHHOG-YNEHKIRRSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000648773121 419799736 /nfs/dbraw/zinc/79/97/36/419799736.db2.gz YFEMDNXDVZHHOG-YNEHKIRRSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@H+]1C ZINC000648778914 419802687 /nfs/dbraw/zinc/80/26/87/419802687.db2.gz SXVNEVQVZJGFAW-FRRDWIJNSA-N 2 1 268.405 -0.311 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC[NH+]1C ZINC000648778914 419802693 /nfs/dbraw/zinc/80/26/93/419802693.db2.gz SXVNEVQVZJGFAW-FRRDWIJNSA-N 2 1 268.405 -0.311 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC[NH+]1C ZINC000648778914 419802699 /nfs/dbraw/zinc/80/26/99/419802699.db2.gz SXVNEVQVZJGFAW-FRRDWIJNSA-N 2 1 268.405 -0.311 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CN2CCOCC2)CC[N@H+]1C ZINC000648815274 419806098 /nfs/dbraw/zinc/80/60/98/419806098.db2.gz KBEFPBGMASDLKV-HZSPNIEDSA-N 2 1 299.415 -0.522 20 0 CBADMP C[C@@H](C(=O)N[C@@]1(C)CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000663013919 419810000 /nfs/dbraw/zinc/81/00/00/419810000.db2.gz QWKIBVXVTPCHHA-AAEUAGOBSA-N 2 1 254.378 -0.510 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)CC[N@H+]1C ZINC000663218017 419829189 /nfs/dbraw/zinc/82/91/89/419829189.db2.gz VYYXBWYSHHPMDK-GHMZBOCLSA-N 2 1 253.346 -0.473 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)CC[N@H+]1C ZINC000649069670 419833263 /nfs/dbraw/zinc/83/32/63/419833263.db2.gz XNBUCAWOIIMEQN-FRRDWIJNSA-N 2 1 296.415 -0.095 20 0 CBADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353578945 419840245 /nfs/dbraw/zinc/84/02/45/419840245.db2.gz OGGSEFDCOLMSKT-OUAUKWLOSA-N 2 1 270.377 -0.432 20 0 CBADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353578945 419840252 /nfs/dbraw/zinc/84/02/52/419840252.db2.gz OGGSEFDCOLMSKT-OUAUKWLOSA-N 2 1 270.377 -0.432 20 0 CBADMP C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)CCO2 ZINC000649132372 419841451 /nfs/dbraw/zinc/84/14/51/419841451.db2.gz XAVONMNTGCFULW-ZDUSSCGKSA-N 2 1 297.399 -0.360 20 0 CBADMP C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CCO2 ZINC000649132372 419841458 /nfs/dbraw/zinc/84/14/58/419841458.db2.gz XAVONMNTGCFULW-ZDUSSCGKSA-N 2 1 297.399 -0.360 20 0 CBADMP C[N@H+](CC(=O)N1CCCC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000663499144 419842325 /nfs/dbraw/zinc/84/23/25/419842325.db2.gz AYWCSICXHARQSL-CYBMUJFWSA-N 2 1 296.415 -0.262 20 0 CBADMP C[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000663499145 419842356 /nfs/dbraw/zinc/84/23/56/419842356.db2.gz AYWCSICXHARQSL-ZDUSSCGKSA-N 2 1 296.415 -0.262 20 0 CBADMP C[NH2+]C[C@@H](C)NCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000663509228 419843126 /nfs/dbraw/zinc/84/31/26/419843126.db2.gz XOBRHIFLGIUDNI-GFCCVEGCSA-N 2 1 278.404 -0.074 20 0 CBADMP COC[C@@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000354068574 419845709 /nfs/dbraw/zinc/84/57/09/419845709.db2.gz PVOJFNRJOYYPCB-MWLCHTKSSA-N 2 1 254.334 -0.082 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCC(N)=O ZINC000663568254 419845804 /nfs/dbraw/zinc/84/58/04/419845804.db2.gz MNRMFGMHJHWUIV-NSHDSACASA-N 2 1 287.408 -0.567 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCC(N)=O ZINC000663568254 419845812 /nfs/dbraw/zinc/84/58/12/419845812.db2.gz MNRMFGMHJHWUIV-NSHDSACASA-N 2 1 287.408 -0.567 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662946726 419789153 /nfs/dbraw/zinc/78/91/53/419789153.db2.gz YMDVTWOICYDNPN-GFCCVEGCSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]cn2)C[C@H](C)N1 ZINC000662953753 419793389 /nfs/dbraw/zinc/79/33/89/419793389.db2.gz PNJGPOLBYQSCPQ-AOOOYVTPSA-N 2 1 279.344 -0.423 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000662961715 419794859 /nfs/dbraw/zinc/79/48/59/419794859.db2.gz HHIXGIYOTYWDIT-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000347242412 419795669 /nfs/dbraw/zinc/79/56/69/419795669.db2.gz UHEBZEZFTMSQRB-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000347242412 419795674 /nfs/dbraw/zinc/79/56/74/419795674.db2.gz UHEBZEZFTMSQRB-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000347242412 419795681 /nfs/dbraw/zinc/79/56/81/419795681.db2.gz UHEBZEZFTMSQRB-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648731356 419797421 /nfs/dbraw/zinc/79/74/21/419797421.db2.gz RWNRZDPLCXFTNL-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000648731356 419797424 /nfs/dbraw/zinc/79/74/24/419797424.db2.gz RWNRZDPLCXFTNL-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000649292422 419867181 /nfs/dbraw/zinc/86/71/81/419867181.db2.gz FZBFBYOFKAZJAE-LBPRGKRZSA-N 2 1 282.388 -0.735 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649298821 419870000 /nfs/dbraw/zinc/87/00/00/419870000.db2.gz ALLQVGRBDMKYBE-GDNZZTSVSA-N 2 1 255.362 -0.464 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000649318772 419880652 /nfs/dbraw/zinc/88/06/52/419880652.db2.gz KNZLUQAQDSMGGF-GFCCVEGCSA-N 2 1 285.388 -0.408 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000649323583 419888277 /nfs/dbraw/zinc/88/82/77/419888277.db2.gz DZOFQZSIRUAQIR-WZRBSPASSA-N 2 1 253.346 -0.425 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649323568 419888858 /nfs/dbraw/zinc/88/88/58/419888858.db2.gz CRTRZUWDAFHRJP-KXNHARMFSA-N 2 1 253.346 -0.426 20 0 CBADMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(C(N)=O)nn1 ZINC000664247901 419890341 /nfs/dbraw/zinc/89/03/41/419890341.db2.gz JXHRTJNGCQANPY-UHFFFAOYSA-N 2 1 280.376 -0.129 20 0 CBADMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(C(N)=O)nn1 ZINC000664247901 419890346 /nfs/dbraw/zinc/89/03/46/419890346.db2.gz JXHRTJNGCQANPY-UHFFFAOYSA-N 2 1 280.376 -0.129 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649292362 419864120 /nfs/dbraw/zinc/86/41/20/419864120.db2.gz BNPBWEHNEFDSDA-UTUOFQBUSA-N 2 1 280.372 -0.983 20 0 CBADMP C[C@@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1nccn1C ZINC000667251669 544658079 /nfs/dbraw/zinc/65/80/79/544658079.db2.gz RPILXLAUWSEEML-ZWNOBZJWSA-N 2 1 281.360 -0.153 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649349795 419899346 /nfs/dbraw/zinc/89/93/46/419899346.db2.gz WTZCAUFEBWRQFW-UPJWGTAASA-N 2 1 266.389 -0.510 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000358523520 419899810 /nfs/dbraw/zinc/89/98/10/419899810.db2.gz LOWGTAPAWRHPIC-NWDGAFQWSA-N 2 1 299.419 -0.425 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N1 ZINC000667811783 544674251 /nfs/dbraw/zinc/67/42/51/544674251.db2.gz WDVWJBIAPDZRIM-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CO[C@H](C[NH3+])C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000649351767 419902729 /nfs/dbraw/zinc/90/27/29/419902729.db2.gz QIPWQZQSJDEJCI-CYBMUJFWSA-N 3 1 293.371 -0.254 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664407373 419903477 /nfs/dbraw/zinc/90/34/77/419903477.db2.gz WWWNXLMGHGDXQE-GHYVTOPFSA-N 2 1 296.415 -0.215 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000649351768 419903521 /nfs/dbraw/zinc/90/35/21/419903521.db2.gz QIPWQZQSJDEJCI-ZDUSSCGKSA-N 3 1 293.371 -0.254 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000649410777 419909706 /nfs/dbraw/zinc/90/97/06/419909706.db2.gz RRSMPXQLPFSCDZ-IHRRRGAJSA-N 2 1 298.431 -0.413 20 0 CBADMP C[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C1=CC[N@@H+](C)CC1 ZINC000664630153 419911454 /nfs/dbraw/zinc/91/14/54/419911454.db2.gz QFVSAYOAWQBAEU-UBHSHLNASA-N 2 1 296.415 -0.047 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+](C)CC2)C1 ZINC000358676995 419911686 /nfs/dbraw/zinc/91/16/86/419911686.db2.gz LXODZGLNHFBYJN-ZDUSSCGKSA-N 2 1 270.377 -0.554 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000358674583 419912289 /nfs/dbraw/zinc/91/22/89/419912289.db2.gz BNRJJRQEHGOQMH-NFAWXSAZSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000358674583 419912294 /nfs/dbraw/zinc/91/22/94/419912294.db2.gz BNRJJRQEHGOQMH-NFAWXSAZSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000358674583 419912299 /nfs/dbraw/zinc/91/22/99/419912299.db2.gz BNRJJRQEHGOQMH-NFAWXSAZSA-N 2 1 296.415 -0.021 20 0 CBADMP CC(C)[C@H](CNC(=O)NC[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000669021327 544734436 /nfs/dbraw/zinc/73/44/36/544734436.db2.gz QNTFEJYWNUKLAB-NEPJUHHUSA-N 2 1 272.393 -0.010 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358709688 419914657 /nfs/dbraw/zinc/91/46/57/419914657.db2.gz RWKKOVVLKYVFLU-ZDUSSCGKSA-N 2 1 281.360 -0.443 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358709688 419914664 /nfs/dbraw/zinc/91/46/64/419914664.db2.gz RWKKOVVLKYVFLU-ZDUSSCGKSA-N 2 1 281.360 -0.443 20 0 CBADMP CCN(C(=O)C(=O)NCC[NH+](C)C1CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668656852 544712819 /nfs/dbraw/zinc/71/28/19/544712819.db2.gz FANXEELAXFWVID-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NCC[N@H+](C)C1CC1)[C@@H]1CC[NH+](C)C1 ZINC000668656852 544712823 /nfs/dbraw/zinc/71/28/23/544712823.db2.gz FANXEELAXFWVID-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NCC[N@@H+](C)C1CC1)[C@@H]1CC[NH+](C)C1 ZINC000668656852 544712826 /nfs/dbraw/zinc/71/28/26/544712826.db2.gz FANXEELAXFWVID-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+]1CCC[C@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000669403281 544749210 /nfs/dbraw/zinc/74/92/10/544749210.db2.gz RFGYPELSBOEQSO-QMMMGPOBSA-N 2 1 250.293 -0.026 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000669403281 544749214 /nfs/dbraw/zinc/74/92/14/544749214.db2.gz RFGYPELSBOEQSO-QMMMGPOBSA-N 2 1 250.293 -0.026 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000669403284 544749274 /nfs/dbraw/zinc/74/92/74/544749274.db2.gz RHVSDZIJFZFPIS-SRVKXCTJSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538154 544752825 /nfs/dbraw/zinc/75/28/25/544752825.db2.gz AGTVVJLSAJCZJR-UTUOFQBUSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538154 544752827 /nfs/dbraw/zinc/75/28/27/544752827.db2.gz AGTVVJLSAJCZJR-UTUOFQBUSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000669524699 544753098 /nfs/dbraw/zinc/75/30/98/544753098.db2.gz ZIANSXUTKKJTKZ-YRGRVCCFSA-N 2 1 295.431 -0.104 20 0 CBADMP C[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538487 544753854 /nfs/dbraw/zinc/75/38/54/544753854.db2.gz TUKRGPPFZMSLRE-TUAOUCFPSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538487 544753857 /nfs/dbraw/zinc/75/38/57/544753857.db2.gz TUKRGPPFZMSLRE-TUAOUCFPSA-N 2 1 270.377 -0.243 20 0 CBADMP CC[NH+](CC)CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000670407124 544784168 /nfs/dbraw/zinc/78/41/68/544784168.db2.gz KYRWUCRSZOCCIP-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CCc3c[nH]nc3C2)CC1 ZINC000669932102 544768409 /nfs/dbraw/zinc/76/84/09/544768409.db2.gz TUROJCOUISXVRW-UHFFFAOYSA-N 2 1 277.372 -0.068 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000671816897 544834509 /nfs/dbraw/zinc/83/45/09/544834509.db2.gz MVZFOTYIYUZPMS-NEPJUHHUSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000671816897 544834514 /nfs/dbraw/zinc/83/45/14/544834514.db2.gz MVZFOTYIYUZPMS-NEPJUHHUSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000671816897 544834518 /nfs/dbraw/zinc/83/45/18/544834518.db2.gz MVZFOTYIYUZPMS-NEPJUHHUSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000671820987 544836115 /nfs/dbraw/zinc/83/61/15/544836115.db2.gz XSMFTIVSBHJKFB-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C1CC1 ZINC000672207852 544842478 /nfs/dbraw/zinc/84/24/78/544842478.db2.gz IKXAAXSOHLGFKL-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1)[N@H+](C)C1CC1 ZINC000672207852 544842483 /nfs/dbraw/zinc/84/24/83/544842483.db2.gz IKXAAXSOHLGFKL-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1)[N@@H+](C)C1CC1 ZINC000672207852 544842487 /nfs/dbraw/zinc/84/24/87/544842487.db2.gz IKXAAXSOHLGFKL-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+](CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C1CC1 ZINC000650306684 419950114 /nfs/dbraw/zinc/95/01/14/419950114.db2.gz XEXDUZFLDAQNFM-UHFFFAOYSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000359228963 419951126 /nfs/dbraw/zinc/95/11/26/419951126.db2.gz JOJXLOUZUDFIDP-VXGBXAGGSA-N 2 1 256.394 -0.311 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCCO ZINC000665636792 419959808 /nfs/dbraw/zinc/95/98/08/419959808.db2.gz JVPVLEGYJOUCNZ-LBPRGKRZSA-N 2 1 274.409 -0.060 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCCO ZINC000665636792 419959810 /nfs/dbraw/zinc/95/98/10/419959810.db2.gz JVPVLEGYJOUCNZ-LBPRGKRZSA-N 2 1 274.409 -0.060 20 0 CBADMP C[C@@H](C(=O)N(C)CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000359582417 419974904 /nfs/dbraw/zinc/97/49/04/419974904.db2.gz DSRMLEFSAPRYBL-LBPRGKRZSA-N 2 1 256.394 -0.358 20 0 CBADMP C[C@@H]1C[NH+](CC2(C[N@H+]3C[C@H](O)[C@@H](C)C3)COC2)C[C@@H]1O ZINC000360210317 420010121 /nfs/dbraw/zinc/01/01/21/420010121.db2.gz WSHGYONKMBWIMO-CRWXNKLISA-N 2 1 284.400 -0.372 20 0 CBADMP C[C@@H]1C[N@@H+](CC2(C[NH+]3C[C@H](O)[C@@H](C)C3)COC2)C[C@@H]1O ZINC000360210317 420010125 /nfs/dbraw/zinc/01/01/25/420010125.db2.gz WSHGYONKMBWIMO-CRWXNKLISA-N 2 1 284.400 -0.372 20 0 CBADMP C[C@@H]1C[N@H+](CC2(C[NH+]3C[C@H](O)[C@@H](C)C3)COC2)C[C@@H]1O ZINC000360210317 420010130 /nfs/dbraw/zinc/01/01/30/420010130.db2.gz WSHGYONKMBWIMO-CRWXNKLISA-N 2 1 284.400 -0.372 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CSC[NH2+]1 ZINC000360204491 420010913 /nfs/dbraw/zinc/01/09/13/420010913.db2.gz MIVBONZPGNKSIX-NXEZZACHSA-N 2 1 286.401 -0.895 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CSC[NH2+]1 ZINC000360204491 420010916 /nfs/dbraw/zinc/01/09/16/420010916.db2.gz MIVBONZPGNKSIX-NXEZZACHSA-N 2 1 286.401 -0.895 20 0 CBADMP C[NH+](C)[C@@]1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCSC1 ZINC000360334168 420016284 /nfs/dbraw/zinc/01/62/84/420016284.db2.gz CDDGWFBSOGCBLN-DGCLKSJQSA-N 2 1 287.429 -0.130 20 0 CBADMP C[NH+](C)[C@@]1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCSC1 ZINC000360334168 420016288 /nfs/dbraw/zinc/01/62/88/420016288.db2.gz CDDGWFBSOGCBLN-DGCLKSJQSA-N 2 1 287.429 -0.130 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363256521 420028063 /nfs/dbraw/zinc/02/80/63/420028063.db2.gz LIELMUXHJJSXDX-UTUOFQBUSA-N 2 1 280.372 -0.013 20 0 CBADMP NC(=O)NC(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363256521 420028068 /nfs/dbraw/zinc/02/80/68/420028068.db2.gz LIELMUXHJJSXDX-UTUOFQBUSA-N 2 1 280.372 -0.013 20 0 CBADMP NC(=O)NC(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363256521 420028072 /nfs/dbraw/zinc/02/80/72/420028072.db2.gz LIELMUXHJJSXDX-UTUOFQBUSA-N 2 1 280.372 -0.013 20 0 CBADMP C[C@@H](C(=O)N1CC[NH+]2CCC1CC2)N1CC[NH+](C)CC1 ZINC000364568652 420042029 /nfs/dbraw/zinc/04/20/29/420042029.db2.gz WUOXEQOXRHTUPN-ZDUSSCGKSA-N 2 1 280.416 -0.071 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652237082 420054623 /nfs/dbraw/zinc/05/46/23/420054623.db2.gz GFWNTUAUSWQHMI-CYBMUJFWSA-N 2 1 270.377 -0.519 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365105692 420055189 /nfs/dbraw/zinc/05/51/89/420055189.db2.gz QKMZOZNJYHMRAW-HJQYOEGKSA-N 2 1 253.346 -0.692 20 0 CBADMP CCO[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000652356414 420058318 /nfs/dbraw/zinc/05/83/18/420058318.db2.gz INCFGRAFADBXAG-CHWSQXEVSA-N 3 1 284.404 -0.896 20 0 CBADMP CCO[C@@H]1C[N@H+](CCC(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC000652356414 420058321 /nfs/dbraw/zinc/05/83/21/420058321.db2.gz INCFGRAFADBXAG-CHWSQXEVSA-N 2 1 284.404 -0.896 20 0 CBADMP CCO[C@@H]1C[N@@H+](CCC(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC000652356414 420058323 /nfs/dbraw/zinc/05/83/23/420058323.db2.gz INCFGRAFADBXAG-CHWSQXEVSA-N 2 1 284.404 -0.896 20 0 CBADMP C[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1CC[NH3+] ZINC000652354225 420059710 /nfs/dbraw/zinc/05/97/10/420059710.db2.gz PTNNITLHPSWTKV-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1CC[NH3+] ZINC000652354225 420059715 /nfs/dbraw/zinc/05/97/15/420059715.db2.gz PTNNITLHPSWTKV-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H](C)O1 ZINC000365331958 420062101 /nfs/dbraw/zinc/06/21/01/420062101.db2.gz QMWHDPZHPWWJMK-FVCCEPFGSA-N 2 1 299.415 -0.287 20 0 CBADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000652464803 420066815 /nfs/dbraw/zinc/06/68/15/420066815.db2.gz CUXPJZNDXGVBFL-SDDRHHMPSA-N 2 1 272.393 -0.045 20 0 CBADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000652464803 420066821 /nfs/dbraw/zinc/06/68/21/420066821.db2.gz CUXPJZNDXGVBFL-SDDRHHMPSA-N 2 1 272.393 -0.045 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000366932200 420095335 /nfs/dbraw/zinc/09/53/35/420095335.db2.gz JRUIZSBYVSCMMF-CYDGBPFRSA-N 2 1 267.373 -0.443 20 0 CBADMP CC1CC[NH+](CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000652890809 420096392 /nfs/dbraw/zinc/09/63/92/420096392.db2.gz OXLIOFDPRYKBLU-CQSZACIVSA-N 2 1 281.400 -0.004 20 0 CBADMP CC1CC[NH+](CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000652890809 420096398 /nfs/dbraw/zinc/09/63/98/420096398.db2.gz OXLIOFDPRYKBLU-CQSZACIVSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@@H+]1C ZINC000652892922 420097026 /nfs/dbraw/zinc/09/70/26/420097026.db2.gz PBECKOGCGLONOO-SGMGOOAPSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@H+]1C ZINC000652892922 420097031 /nfs/dbraw/zinc/09/70/31/420097031.db2.gz PBECKOGCGLONOO-SGMGOOAPSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000652892922 420097034 /nfs/dbraw/zinc/09/70/34/420097034.db2.gz PBECKOGCGLONOO-SGMGOOAPSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000652892922 420097039 /nfs/dbraw/zinc/09/70/39/420097039.db2.gz PBECKOGCGLONOO-SGMGOOAPSA-N 2 1 281.400 -0.006 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367391289 420105727 /nfs/dbraw/zinc/10/57/27/420105727.db2.gz AVNAPKZQKYWARM-MRVPVSSYSA-N 2 1 251.277 -0.712 20 0 CBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H](C)C[NH3+])CC2)C1 ZINC000367642049 420112064 /nfs/dbraw/zinc/11/20/64/420112064.db2.gz GOWDDVQINQNLRX-ZIAGYGMSSA-N 2 1 298.431 -0.554 20 0 CBADMP CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H](C)C[NH3+])CC2)C1 ZINC000367642049 420112069 /nfs/dbraw/zinc/11/20/69/420112069.db2.gz GOWDDVQINQNLRX-ZIAGYGMSSA-N 2 1 298.431 -0.554 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653108020 420115805 /nfs/dbraw/zinc/11/58/05/420115805.db2.gz GIDMZPVOWSSIGD-JSGCOSHPSA-N 2 1 267.373 -0.225 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110344 420116928 /nfs/dbraw/zinc/11/69/28/420116928.db2.gz DSUCACOOUNTUBC-AAEUAGOBSA-N 2 1 285.413 -0.613 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)NCC[NH+]1CCSCC1 ZINC000653110323 420117061 /nfs/dbraw/zinc/11/70/61/420117061.db2.gz CUIHJXLFBHDYRQ-LLVKDONJSA-N 2 1 274.434 -0.570 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653104339 420117408 /nfs/dbraw/zinc/11/74/08/420117408.db2.gz FIWYFGMRKAMZPL-AAEUAGOBSA-N 2 1 253.346 -0.614 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000653105757 420117548 /nfs/dbraw/zinc/11/75/48/420117548.db2.gz IOVMZCTZOZGLFZ-ZIAGYGMSSA-N 2 1 298.431 -0.411 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653115358 420118485 /nfs/dbraw/zinc/11/84/85/420118485.db2.gz LWPPTYCWKCKPKE-AAEUAGOBSA-N 2 1 255.362 -0.321 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653116843 420118957 /nfs/dbraw/zinc/11/89/57/420118957.db2.gz WENLMTXJZQXSRT-STQMWFEESA-N 2 1 286.420 -0.508 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000653117923 420119534 /nfs/dbraw/zinc/11/95/34/420119534.db2.gz ZPPBFKHMJXYPAB-CHWSQXEVSA-N 2 1 268.405 -0.134 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000653117926 420120191 /nfs/dbraw/zinc/12/01/91/420120191.db2.gz ZPPBFKHMJXYPAB-STQMWFEESA-N 2 1 268.405 -0.134 20 0 CBADMP C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C3C[NH2+]C3)C2)CC1 ZINC000368265022 420127528 /nfs/dbraw/zinc/12/75/28/420127528.db2.gz RAUIFWFWYVFYLW-GFCCVEGCSA-N 2 1 294.399 -0.782 20 0 CBADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C[NH3+] ZINC000653247763 420130375 /nfs/dbraw/zinc/13/03/75/420130375.db2.gz QKSATJTVKNGORP-JHJVBQTASA-N 2 1 285.388 -0.471 20 0 CBADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C[NH3+] ZINC000653247763 420130378 /nfs/dbraw/zinc/13/03/78/420130378.db2.gz QKSATJTVKNGORP-JHJVBQTASA-N 2 1 285.388 -0.471 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[N@H+]1CCC[C@H](C)C1 ZINC000368433488 420132834 /nfs/dbraw/zinc/13/28/34/420132834.db2.gz MPFABAJCRQHCAK-QNWHQSFQSA-N 2 1 269.389 -0.054 20 0 CBADMP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000368451382 420133461 /nfs/dbraw/zinc/13/34/61/420133461.db2.gz RVWODOQFMULFMZ-KGLIPLIRSA-N 2 1 280.416 -0.118 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000368482564 420135330 /nfs/dbraw/zinc/13/53/30/420135330.db2.gz KXBYKKKEJWPDRG-LBPRGKRZSA-N 2 1 267.373 -0.393 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000368482564 420135334 /nfs/dbraw/zinc/13/53/34/420135334.db2.gz KXBYKKKEJWPDRG-LBPRGKRZSA-N 2 1 267.373 -0.393 20 0 CBADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCC[C@@H]2CO)C1=O ZINC000653285493 420137928 /nfs/dbraw/zinc/13/79/28/420137928.db2.gz QJEWGMUTPXYFGP-NEPJUHHUSA-N 2 1 283.372 -0.478 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)[N@@H+](C)C1CC1 ZINC000652686581 420072021 /nfs/dbraw/zinc/07/20/21/420072021.db2.gz KPXCRBWQXSLSNV-NSHDSACASA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000652700388 420076305 /nfs/dbraw/zinc/07/63/05/420076305.db2.gz QKGQPDLMOMZBHT-CYBMUJFWSA-N 2 1 298.431 -0.066 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652714855 420077764 /nfs/dbraw/zinc/07/77/64/420077764.db2.gz TWQHNROESVLJCN-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1=O ZINC000652733691 420078916 /nfs/dbraw/zinc/07/89/16/420078916.db2.gz NVECRENPFHULOK-GFCCVEGCSA-N 2 1 282.388 -0.830 20 0 CBADMP C[NH+]1CC[C@]2(CC[N@H+](CCCC(=O)NC(N)=O)C2)C1 ZINC000366481137 420086541 /nfs/dbraw/zinc/08/65/41/420086541.db2.gz KQOJKYXBCDYPBZ-ZDUSSCGKSA-N 2 1 268.361 -0.011 20 0 CBADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCC(=O)NC(N)=O)C2)C1 ZINC000366481137 420086543 /nfs/dbraw/zinc/08/65/43/420086543.db2.gz KQOJKYXBCDYPBZ-ZDUSSCGKSA-N 2 1 268.361 -0.011 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366485465 420087559 /nfs/dbraw/zinc/08/75/59/420087559.db2.gz WIAXEDWSVHVBMY-AWEZNQCLSA-N 2 1 283.372 -0.307 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366485465 420087565 /nfs/dbraw/zinc/08/75/65/420087565.db2.gz WIAXEDWSVHVBMY-AWEZNQCLSA-N 2 1 283.372 -0.307 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CCN2CCOCC2)C1 ZINC000366732834 420093062 /nfs/dbraw/zinc/09/30/62/420093062.db2.gz AFMKDBXINBIJIY-AWEZNQCLSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000370766944 420185793 /nfs/dbraw/zinc/18/57/93/420185793.db2.gz QMRPXQJSQPTGLI-AWEZNQCLSA-N 2 1 287.404 -0.303 20 0 CBADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)NC(N)=O)C[C@@H]1C[NH3+] ZINC000397377729 420216456 /nfs/dbraw/zinc/21/64/56/420216456.db2.gz JDBYACBHKJIUNH-UTLUCORTSA-N 2 1 256.350 -0.123 20 0 CBADMP CC[C@]1(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000370846283 420187898 /nfs/dbraw/zinc/18/78/98/420187898.db2.gz LHWMTHGJLSZPTI-HNNXBMFYSA-N 2 1 296.415 -0.344 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000654662450 420190030 /nfs/dbraw/zinc/19/00/30/420190030.db2.gz OVPOERDDPUQQGQ-MBNYWOFBSA-N 2 1 284.404 -0.308 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000654664775 420191573 /nfs/dbraw/zinc/19/15/73/420191573.db2.gz RZJHYCOVKDYFPQ-MBNYWOFBSA-N 2 1 296.415 -0.213 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000654664775 420191579 /nfs/dbraw/zinc/19/15/79/420191579.db2.gz RZJHYCOVKDYFPQ-MBNYWOFBSA-N 2 1 296.415 -0.213 20 0 CBADMP CC[N@@H+](C)C[C@H](O)Cn1cc(CCCC[NH3+])nn1 ZINC000385279616 420199824 /nfs/dbraw/zinc/19/98/24/420199824.db2.gz KCEIRRFLHODRAP-LBPRGKRZSA-N 2 1 255.366 -0.128 20 0 CBADMP C[N@@H+](C[C@H](O)Cn1cc(CCC[NH3+])nn1)C1CC1 ZINC000386061787 420203178 /nfs/dbraw/zinc/20/31/78/420203178.db2.gz DOJDFTPQYZWMGW-LBPRGKRZSA-N 2 1 253.350 -0.376 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000388501590 420204426 /nfs/dbraw/zinc/20/44/26/420204426.db2.gz HJSNPUOXEOKBIH-RYUDHWBXSA-N 2 1 291.417 -0.669 20 0 CBADMP C[NH2+][C@H](C)c1cn(C[C@@H](O)C[N@@H+](C)CCOC)nn1 ZINC000388647225 420204653 /nfs/dbraw/zinc/20/46/53/420204653.db2.gz YUTCKWZHKNZVFU-MNOVXSKESA-N 2 1 271.365 -0.502 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000388501588 420206072 /nfs/dbraw/zinc/20/60/72/420206072.db2.gz HJSNPUOXEOKBIH-NEPJUHHUSA-N 2 1 291.417 -0.669 20 0 CBADMP CN(C)c1nc(NC[C@@H]2C[NH2+]CCN2C)cc[nH+]1 ZINC000394866318 420213628 /nfs/dbraw/zinc/21/36/28/420213628.db2.gz PJNXDESPTQRUPN-JTQLQIEISA-N 2 1 250.350 -0.142 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1COCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396463653 420213891 /nfs/dbraw/zinc/21/38/91/420213891.db2.gz NXZRNNOVTFPCEY-PWSUYJOCSA-N 2 1 255.362 -0.179 20 0 CBADMP Cn1c[nH+]cc1CCC[N@H+](CCO)CCN1CCOCC1 ZINC000653564135 420149727 /nfs/dbraw/zinc/14/97/27/420149727.db2.gz RAIKXHUPIDWADJ-UHFFFAOYSA-N 2 1 296.415 -0.021 20 0 CBADMP Cn1c[nH+]cc1CCC[N@@H+](CCO)CCN1CCOCC1 ZINC000653564135 420149729 /nfs/dbraw/zinc/14/97/29/420149729.db2.gz RAIKXHUPIDWADJ-UHFFFAOYSA-N 2 1 296.415 -0.021 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCn2cc(C)nc2C1 ZINC000653612190 420151428 /nfs/dbraw/zinc/15/14/28/420151428.db2.gz CHEQMQKKLIHLOV-ZDUSSCGKSA-N 2 1 282.388 -0.054 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](NC(=O)NC)C1 ZINC000653618381 420152230 /nfs/dbraw/zinc/15/22/30/420152230.db2.gz DKDXKKRJBHQUKP-WDEREUQCSA-N 2 1 258.366 -0.698 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCNC(=O)C[C@H]1C ZINC000653593715 420152450 /nfs/dbraw/zinc/15/24/50/420152450.db2.gz MDICGDYPFUNMNX-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@]12CCNC2=O ZINC000653717278 420157932 /nfs/dbraw/zinc/15/79/32/420157932.db2.gz ODASTADPBMJSMR-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000653748016 420160166 /nfs/dbraw/zinc/16/01/66/420160166.db2.gz QWXSNVVMRQKIEB-PHIMTYICSA-N 2 1 262.313 -0.443 20 0 CBADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000653748016 420160169 /nfs/dbraw/zinc/16/01/69/420160169.db2.gz QWXSNVVMRQKIEB-PHIMTYICSA-N 2 1 262.313 -0.443 20 0 CBADMP O=C1CNC(=O)N1CCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369600042 420163808 /nfs/dbraw/zinc/16/38/08/420163808.db2.gz NRZXLXTUWGROSE-FRRDWIJNSA-N 2 1 292.383 -0.046 20 0 CBADMP O=C1CNC(=O)N1CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000369600042 420163812 /nfs/dbraw/zinc/16/38/12/420163812.db2.gz NRZXLXTUWGROSE-FRRDWIJNSA-N 2 1 292.383 -0.046 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000369600042 420163815 /nfs/dbraw/zinc/16/38/15/420163815.db2.gz NRZXLXTUWGROSE-FRRDWIJNSA-N 2 1 292.383 -0.046 20 0 CBADMP O=C1CNC(=O)N1CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369600042 420163817 /nfs/dbraw/zinc/16/38/17/420163817.db2.gz NRZXLXTUWGROSE-FRRDWIJNSA-N 2 1 292.383 -0.046 20 0 CBADMP O=C1CNC(=O)N1CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369600042 420163822 /nfs/dbraw/zinc/16/38/22/420163822.db2.gz NRZXLXTUWGROSE-FRRDWIJNSA-N 2 1 292.383 -0.046 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000653829763 420166626 /nfs/dbraw/zinc/16/66/26/420166626.db2.gz WAAFUINGBCNGQC-BFHYXJOUSA-N 2 1 269.389 -0.808 20 0 CBADMP C[NH+](C[C@@H](O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000653829763 420166631 /nfs/dbraw/zinc/16/66/31/420166631.db2.gz WAAFUINGBCNGQC-BFHYXJOUSA-N 2 1 269.389 -0.808 20 0 CBADMP C[NH+](C[C@@H](O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000653829763 420166635 /nfs/dbraw/zinc/16/66/35/420166635.db2.gz WAAFUINGBCNGQC-BFHYXJOUSA-N 2 1 269.389 -0.808 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000370158225 420173619 /nfs/dbraw/zinc/17/36/19/420173619.db2.gz BYZLYRIEILKAHJ-CHWSQXEVSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000370158225 420173624 /nfs/dbraw/zinc/17/36/24/420173624.db2.gz BYZLYRIEILKAHJ-CHWSQXEVSA-N 2 1 297.399 -0.109 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000404622154 420224589 /nfs/dbraw/zinc/22/45/89/420224589.db2.gz OVSRXGYHSYIFAR-ZDUSSCGKSA-N 2 1 297.403 -0.316 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000404622153 420224964 /nfs/dbraw/zinc/22/49/64/420224964.db2.gz OVSRXGYHSYIFAR-CYBMUJFWSA-N 2 1 297.403 -0.316 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000405375851 420225443 /nfs/dbraw/zinc/22/54/43/420225443.db2.gz BGVOXVNXFLKJJL-XQQFMLRXSA-N 2 1 257.378 -0.950 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405375851 420225447 /nfs/dbraw/zinc/22/54/47/420225447.db2.gz BGVOXVNXFLKJJL-XQQFMLRXSA-N 2 1 257.378 -0.950 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405375851 420225450 /nfs/dbraw/zinc/22/54/50/420225450.db2.gz BGVOXVNXFLKJJL-XQQFMLRXSA-N 2 1 257.378 -0.950 20 0 CBADMP CCO[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C[NH3+] ZINC000405503891 420227898 /nfs/dbraw/zinc/22/78/98/420227898.db2.gz CUQROQBGHJCCDC-GHMZBOCLSA-N 2 1 269.345 -0.569 20 0 CBADMP CCO[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C[NH3+] ZINC000405503891 420227901 /nfs/dbraw/zinc/22/79/01/420227901.db2.gz CUQROQBGHJCCDC-GHMZBOCLSA-N 2 1 269.345 -0.569 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407234009 420229020 /nfs/dbraw/zinc/22/90/20/420229020.db2.gz AOEKBVQKNZTREA-RDBSUJKOSA-N 2 1 280.416 -0.121 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000655245222 420232936 /nfs/dbraw/zinc/23/29/36/420232936.db2.gz FVPAMFDUFDDXRH-MJBXVCDLSA-N 2 1 280.416 -0.167 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000411028042 420235905 /nfs/dbraw/zinc/23/59/05/420235905.db2.gz PBOFVZZFFVBLNE-ZDUSSCGKSA-N 2 1 298.431 -0.053 20 0 CBADMP C[N@@H+](CC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCSC1 ZINC000655295531 420237586 /nfs/dbraw/zinc/23/75/86/420237586.db2.gz DBJGFLAUXRQMGL-FRRDWIJNSA-N 2 1 299.440 -0.299 20 0 CBADMP C[NH+](CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCSC1 ZINC000655295531 420237590 /nfs/dbraw/zinc/23/75/90/420237590.db2.gz DBJGFLAUXRQMGL-FRRDWIJNSA-N 2 1 299.440 -0.299 20 0 CBADMP C[NH+](CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCSC1 ZINC000655295531 420237593 /nfs/dbraw/zinc/23/75/93/420237593.db2.gz DBJGFLAUXRQMGL-FRRDWIJNSA-N 2 1 299.440 -0.299 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000655294373 420238449 /nfs/dbraw/zinc/23/84/49/420238449.db2.gz VUQQZDSSKKEUDB-YVECIDJPSA-N 2 1 267.373 -0.396 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000655294373 420238452 /nfs/dbraw/zinc/23/84/52/420238452.db2.gz VUQQZDSSKKEUDB-YVECIDJPSA-N 2 1 267.373 -0.396 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000655294373 420238455 /nfs/dbraw/zinc/23/84/55/420238455.db2.gz VUQQZDSSKKEUDB-YVECIDJPSA-N 2 1 267.373 -0.396 20 0 CBADMP CC(C)[C@@H](CNC(=O)N[C@@H](C)C[NH3+])[NH+]1CCOCC1 ZINC000416942397 420241732 /nfs/dbraw/zinc/24/17/32/420241732.db2.gz RYEZYLZXZQLRBW-NWDGAFQWSA-N 2 1 272.393 -0.010 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418568861 420242168 /nfs/dbraw/zinc/24/21/68/420242168.db2.gz BPCRKPRQINCVOS-RYUDHWBXSA-N 2 1 272.393 -0.130 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419415109 420245504 /nfs/dbraw/zinc/24/55/04/420245504.db2.gz UQTXLHHMLUVXMV-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419524954 420245862 /nfs/dbraw/zinc/24/58/62/420245862.db2.gz QQYCJGJBNZFBST-NWDGAFQWSA-N 2 1 296.415 -0.027 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000419581935 420246170 /nfs/dbraw/zinc/24/61/70/420246170.db2.gz IUYNZAMZFCNHAP-SNVBAGLBSA-N 2 1 270.377 -0.689 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419523642 420246390 /nfs/dbraw/zinc/24/63/90/420246390.db2.gz OVACMJZMCGLNOM-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419575159 420246501 /nfs/dbraw/zinc/24/65/01/420246501.db2.gz AAZBLIFTNFWAFC-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419938363 420247084 /nfs/dbraw/zinc/24/70/84/420247084.db2.gz PLFCNKQYOSEPOU-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419982066 420247101 /nfs/dbraw/zinc/24/71/01/420247101.db2.gz SQLQKQYNHIDTAC-OLZOCXBDSA-N 2 1 296.415 -0.219 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000420015838 420248377 /nfs/dbraw/zinc/24/83/77/420248377.db2.gz MHQHGVJDOMAUOG-OLZOCXBDSA-N 2 1 298.431 -0.116 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000420015838 420248379 /nfs/dbraw/zinc/24/83/79/420248379.db2.gz MHQHGVJDOMAUOG-OLZOCXBDSA-N 2 1 298.431 -0.116 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000420172178 420248664 /nfs/dbraw/zinc/24/86/64/420248664.db2.gz OWZLSZJEKUWRNW-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000420172178 420248669 /nfs/dbraw/zinc/24/86/69/420248669.db2.gz OWZLSZJEKUWRNW-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000420172179 420249953 /nfs/dbraw/zinc/24/99/53/420249953.db2.gz OWZLSZJEKUWRNW-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000420172179 420249955 /nfs/dbraw/zinc/24/99/55/420249955.db2.gz OWZLSZJEKUWRNW-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000422041626 420253799 /nfs/dbraw/zinc/25/37/99/420253799.db2.gz UPDFTNUDOSLJKB-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000422041626 420253803 /nfs/dbraw/zinc/25/38/03/420253803.db2.gz UPDFTNUDOSLJKB-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000422041626 420253806 /nfs/dbraw/zinc/25/38/06/420253806.db2.gz UPDFTNUDOSLJKB-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000422041626 420253809 /nfs/dbraw/zinc/25/38/09/420253809.db2.gz UPDFTNUDOSLJKB-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH2+]C)C[C@H]1C ZINC000423386597 420255071 /nfs/dbraw/zinc/25/50/71/420255071.db2.gz LZIBZXMJFOJCJM-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH2+]C)C[C@H]1C ZINC000423386597 420255076 /nfs/dbraw/zinc/25/50/76/420255076.db2.gz LZIBZXMJFOJCJM-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP COCC[NH+]1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000423301614 420255541 /nfs/dbraw/zinc/25/55/41/420255541.db2.gz IAERNXUPOARSKM-UHFFFAOYSA-N 2 1 255.362 -0.094 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000423361361 420255568 /nfs/dbraw/zinc/25/55/68/420255568.db2.gz RUOBGZZVLNYAAL-GFCCVEGCSA-N 2 1 284.404 -0.537 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000423361361 420255571 /nfs/dbraw/zinc/25/55/71/420255571.db2.gz RUOBGZZVLNYAAL-GFCCVEGCSA-N 2 1 284.404 -0.537 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000423386820 420255753 /nfs/dbraw/zinc/25/57/53/420255753.db2.gz JQUGGGQGOYSQHL-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000423011970 420256250 /nfs/dbraw/zinc/25/62/50/420256250.db2.gz JUUAJNDTESDSNO-UHFFFAOYSA-N 2 1 284.404 -0.536 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423597432 420256945 /nfs/dbraw/zinc/25/69/45/420256945.db2.gz UCDRWUYNPZSSBN-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000423715420 420256969 /nfs/dbraw/zinc/25/69/69/420256969.db2.gz YYYDKGOPYUDMKS-PHIMTYICSA-N 2 1 270.377 -0.785 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000423715420 420256973 /nfs/dbraw/zinc/25/69/73/420256973.db2.gz YYYDKGOPYUDMKS-PHIMTYICSA-N 2 1 270.377 -0.785 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000423704918 420257470 /nfs/dbraw/zinc/25/74/70/420257470.db2.gz GGOOXPXHVPUHII-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP Cn1nnnc1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655724080 420269952 /nfs/dbraw/zinc/26/99/52/420269952.db2.gz RVMBQAWDHHSMQC-ZDUSSCGKSA-N 2 1 294.403 -0.014 20 0 CBADMP O=C([C@H]1CCC[N@@H+](CCn2cncn2)C1)N1CC[NH2+]CC1 ZINC000430611089 420272180 /nfs/dbraw/zinc/27/21/80/420272180.db2.gz NBJALEKNFULWLZ-ZDUSSCGKSA-N 2 1 292.387 -0.578 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655917327 420275296 /nfs/dbraw/zinc/27/52/96/420275296.db2.gz PMEUKCUXQKIKPM-RKDXNWHRSA-N 2 1 297.325 -0.579 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655916742 420276718 /nfs/dbraw/zinc/27/67/18/420276718.db2.gz HMLFQJBUNWXJHH-RKDXNWHRSA-N 2 1 298.309 -0.104 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963263 420282534 /nfs/dbraw/zinc/28/25/34/420282534.db2.gz MWJIDQIKMUYCJE-OUAUKWLOSA-N 2 1 256.350 -0.958 20 0 CBADMP C[C@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000655962062 420282551 /nfs/dbraw/zinc/28/25/51/420282551.db2.gz HTEWWMNSZYINCM-RFQIPJPRSA-N 2 1 296.415 -0.165 20 0 CBADMP CCC[NH2+]CCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963254 420283473 /nfs/dbraw/zinc/28/34/73/420283473.db2.gz MNJSIQALALZDNI-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655970713 420284225 /nfs/dbraw/zinc/28/42/25/420284225.db2.gz XABCYBOPSRSMNE-WHOHXGKFSA-N 2 1 270.377 -0.427 20 0 CBADMP O=C(NCC[C@@H]1CC[NH2+]C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655964517 420284998 /nfs/dbraw/zinc/28/49/98/420284998.db2.gz WLXNWCGODWTMQM-RWMBFGLXSA-N 2 1 282.388 -0.554 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655965509 420285117 /nfs/dbraw/zinc/28/51/17/420285117.db2.gz FJYJPHAEHHDART-XQHKEYJVSA-N 2 1 282.388 -0.555 20 0 CBADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967163 420285526 /nfs/dbraw/zinc/28/55/26/420285526.db2.gz OAIMSQMMJFOUNK-YVECIDJPSA-N 2 1 282.388 -0.555 20 0 CBADMP CC1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[NH2+]C1 ZINC000399206733 420218663 /nfs/dbraw/zinc/21/86/63/420218663.db2.gz AZAGEKKWZQGPFZ-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP C[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+]1CC(C)C1 ZINC000655096066 420219604 /nfs/dbraw/zinc/21/96/04/420219604.db2.gz JGAQAUXZFYPJEM-SRVKXCTJSA-N 2 1 255.362 -0.540 20 0 CBADMP CCOC(=O)CCCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000516785205 420362810 /nfs/dbraw/zinc/36/28/10/420362810.db2.gz HDPWYAJKIJYPOU-NWDGAFQWSA-N 2 1 283.372 -0.036 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](Cn2cc(C[C@H]([NH3+])CO)nn2)C1 ZINC000656448991 420309286 /nfs/dbraw/zinc/30/92/86/420309286.db2.gz TTWFBIOJIUWNQI-GXTWGEPZSA-N 2 1 297.403 -0.503 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](Cn2cc([C@@H]([NH3+])CO)nn2)C1 ZINC000656449049 420310520 /nfs/dbraw/zinc/31/05/20/420310520.db2.gz WWKUWSWTYPFVJB-NEPJUHHUSA-N 2 1 283.376 -0.373 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2C[C@@H]3COC[C@@]3(C)C2)C1=O ZINC000656477940 420311106 /nfs/dbraw/zinc/31/11/06/420311106.db2.gz ODRYBYAFCNFPMM-TYNCELHUSA-N 2 1 295.383 -0.356 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000516787070 420364281 /nfs/dbraw/zinc/36/42/81/420364281.db2.gz LDSLLELSIJQIGI-WDEREUQCSA-N 2 1 268.361 -0.983 20 0 CBADMP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000514735444 420360189 /nfs/dbraw/zinc/36/01/89/420360189.db2.gz DEDVPFKRDWOZGN-CMPLNLGQSA-N 2 1 280.372 -0.840 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[N@@H+]1CCOC ZINC000444168470 420292590 /nfs/dbraw/zinc/29/25/90/420292590.db2.gz HYBWKPIWMBAUPY-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[N@H+]1CCOC ZINC000444168470 420292593 /nfs/dbraw/zinc/29/25/93/420292593.db2.gz HYBWKPIWMBAUPY-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656028502 420294840 /nfs/dbraw/zinc/29/48/40/420294840.db2.gz LXEKPCQESZATBP-FRRDWIJNSA-N 2 1 294.399 -0.321 20 0 CBADMP COCC[N@H+](C)C[C@H](O)CN1CC([C@H]2CCOC2)C1 ZINC000656151711 420300694 /nfs/dbraw/zinc/30/06/94/420300694.db2.gz BZNMQFMPOLCRCN-JSGCOSHPSA-N 2 1 272.389 -0.106 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC([C@H]2CCOC2)C1 ZINC000656151711 420300697 /nfs/dbraw/zinc/30/06/97/420300697.db2.gz BZNMQFMPOLCRCN-JSGCOSHPSA-N 2 1 272.389 -0.106 20 0 CBADMP COCC[N@H+](C)C[C@H](O)CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000517387567 420375849 /nfs/dbraw/zinc/37/58/49/420375849.db2.gz KFOHRNCDMKDIQF-ZDUSSCGKSA-N 2 1 297.403 -0.529 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000517387567 420375852 /nfs/dbraw/zinc/37/58/52/420375852.db2.gz KFOHRNCDMKDIQF-ZDUSSCGKSA-N 2 1 297.403 -0.529 20 0 CBADMP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000517358502 420376214 /nfs/dbraw/zinc/37/62/14/420376214.db2.gz FUYYQRLHDGZGSM-UWVGGRQHSA-N 2 1 276.331 -0.749 20 0 CBADMP C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000517400041 420376672 /nfs/dbraw/zinc/37/66/72/420376672.db2.gz JESJGQPJXZOHFA-LBPRGKRZSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000517563148 420378514 /nfs/dbraw/zinc/37/85/14/420378514.db2.gz JHZJFJJAKORXSW-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC000674287729 544901338 /nfs/dbraw/zinc/90/13/38/544901338.db2.gz ZPUKMBUOEYOUHX-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000516864975 420366664 /nfs/dbraw/zinc/36/66/64/420366664.db2.gz KYVHMKCTRTXKOM-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCN([C@H]3CCOC3)CC2)C1 ZINC000676341417 544948237 /nfs/dbraw/zinc/94/82/37/544948237.db2.gz RLCQJHCUWQOQQM-STQMWFEESA-N 2 1 267.373 -0.129 20 0 CBADMP C[C@H](C(=O)N[C@@H](C)[C@H]1CN(C)CCO1)N1CC[NH+](C)CC1 ZINC000676347981 544948789 /nfs/dbraw/zinc/94/87/89/544948789.db2.gz KYUWSESCEHDERJ-BFHYXJOUSA-N 2 1 298.431 -0.542 20 0 CBADMP C[NH+](C)C[C@@H]1CCCN1C(=O)CN1CC[NH+](C)CC1 ZINC000674921009 544922692 /nfs/dbraw/zinc/92/26/92/544922692.db2.gz VNDFATGRHQBFBM-ZDUSSCGKSA-N 2 1 268.405 -0.214 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000659496142 420424355 /nfs/dbraw/zinc/42/43/55/420424355.db2.gz KDQORANOMRITAI-LLVKDONJSA-N 2 1 258.366 -0.384 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NCCC[N@@H+](C)CCOC ZINC000659437789 420418734 /nfs/dbraw/zinc/41/87/34/420418734.db2.gz HVEGHNLDMGLXPN-LLVKDONJSA-N 2 1 260.382 -0.138 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000659434465 420418795 /nfs/dbraw/zinc/41/87/95/420418795.db2.gz NHOBPFYOLSTODI-NSHDSACASA-N 2 1 285.392 -0.942 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659440754 420420483 /nfs/dbraw/zinc/42/04/83/420420483.db2.gz KWGCRHVKLFJGQQ-SECBINFHSA-N 2 1 294.359 -0.466 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NCC[NH+]1CCSCC1 ZINC000659454610 420420717 /nfs/dbraw/zinc/42/07/17/420420717.db2.gz LOKOXRLOCCOQDV-JTQLQIEISA-N 2 1 260.407 -0.058 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659452615 420421050 /nfs/dbraw/zinc/42/10/50/420421050.db2.gz DHQRVGYMDMOHCT-MBHSVXNSSA-N 2 1 281.404 -0.635 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000659471324 420422012 /nfs/dbraw/zinc/42/20/12/420422012.db2.gz SVGJRFGYNJTKLM-AXFHLTTASA-N 2 1 258.366 -0.387 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000659471324 420422014 /nfs/dbraw/zinc/42/20/14/420422014.db2.gz SVGJRFGYNJTKLM-AXFHLTTASA-N 2 1 258.366 -0.387 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000659491240 420422913 /nfs/dbraw/zinc/42/29/13/420422913.db2.gz QBAIFLCZJHEMAV-GFCCVEGCSA-N 2 1 285.436 -0.081 20 0 CBADMP O=C(CN1CC[C@H](O)C1)N1CCN(Cc2ccco2)CC1 ZINC000178939858 230183019 /nfs/dbraw/zinc/18/30/19/230183019.db2.gz OUJQTPNFXRGCJQ-ZDUSSCGKSA-N 2 1 293.367 -0.010 20 0 CBADMP O=C(CN1CC[C@@H](O)C1)N1CCN(Cc2ccco2)CC1 ZINC000178939874 230183240 /nfs/dbraw/zinc/18/32/40/230183240.db2.gz OUJQTPNFXRGCJQ-CYBMUJFWSA-N 2 1 293.367 -0.010 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000356903330 230241188 /nfs/dbraw/zinc/24/11/88/230241188.db2.gz MWLQHPMIILNMEF-FRRDWIJNSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000356903330 230241191 /nfs/dbraw/zinc/24/11/91/230241191.db2.gz MWLQHPMIILNMEF-FRRDWIJNSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000356903330 230241192 /nfs/dbraw/zinc/24/11/92/230241192.db2.gz MWLQHPMIILNMEF-FRRDWIJNSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000356903330 230241195 /nfs/dbraw/zinc/24/11/95/230241195.db2.gz MWLQHPMIILNMEF-FRRDWIJNSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(CC[N@H+](C)C1CC1)C(=O)CN1CC[NH+](C)CC1 ZINC000681202180 545044873 /nfs/dbraw/zinc/04/48/73/545044873.db2.gz LCTQIGVFMKNZSQ-UHFFFAOYSA-N 2 1 268.405 -0.214 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)CN1CC[NH+](C)CC1 ZINC000681202180 545044874 /nfs/dbraw/zinc/04/48/74/545044874.db2.gz LCTQIGVFMKNZSQ-UHFFFAOYSA-N 2 1 268.405 -0.214 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000679315265 545026339 /nfs/dbraw/zinc/02/63/39/545026339.db2.gz QYZXQAKTNYLEOD-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000679315265 545026342 /nfs/dbraw/zinc/02/63/42/545026342.db2.gz QYZXQAKTNYLEOD-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1C[C@H](O)C[N@@H+]1CC1(CN2C[C@H](O)C[C@@H]2C)COC1 ZINC000679857486 545033120 /nfs/dbraw/zinc/03/31/20/545033120.db2.gz ZEURQMVJFLDSDH-LVEBTZEWSA-N 2 1 284.400 -0.087 20 0 CBADMP C[C@@H]1C[C@H](O)C[NH+]1CC1(C[N@H+]2C[C@H](O)C[C@@H]2C)COC1 ZINC000679857486 545033121 /nfs/dbraw/zinc/03/31/21/545033121.db2.gz ZEURQMVJFLDSDH-LVEBTZEWSA-N 2 1 284.400 -0.087 20 0 CBADMP C[C@@H]1C[C@H](O)C[NH+]1CC1(C[N@@H+]2C[C@H](O)C[C@@H]2C)COC1 ZINC000679857486 545033122 /nfs/dbraw/zinc/03/31/22/545033122.db2.gz ZEURQMVJFLDSDH-LVEBTZEWSA-N 2 1 284.400 -0.087 20 0 CBADMP C[C@@H]1C[C@H](O)C[N@H+]1CC1(C[NH+]2C[C@H](O)C[C@@H]2C)COC1 ZINC000679857486 545033124 /nfs/dbraw/zinc/03/31/24/545033124.db2.gz ZEURQMVJFLDSDH-LVEBTZEWSA-N 2 1 284.400 -0.087 20 0 CBADMP C[C@@H]1C[C@H](O)C[N@@H+]1CC1(C[NH+]2C[C@H](O)C[C@@H]2C)COC1 ZINC000679857486 545033125 /nfs/dbraw/zinc/03/31/25/545033125.db2.gz ZEURQMVJFLDSDH-LVEBTZEWSA-N 2 1 284.400 -0.087 20 0 CBADMP Nc1nccc([C@@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)C2)n1 ZINC000578893094 420467530 /nfs/dbraw/zinc/46/75/30/420467530.db2.gz ZSTGXEXBWDSQGT-CYBMUJFWSA-N 2 1 290.415 0.143 20 0 CBADMP CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000683230082 545063622 /nfs/dbraw/zinc/06/36/22/545063622.db2.gz UDLOJVBYKHGNLJ-RYUDHWBXSA-N 2 1 292.449 -0.109 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000659751568 420467919 /nfs/dbraw/zinc/46/79/19/420467919.db2.gz VUBNTTMJOKPHCE-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000659752637 420468266 /nfs/dbraw/zinc/46/82/66/420468266.db2.gz KVKFOPUXLQRXRC-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000659753254 420468520 /nfs/dbraw/zinc/46/85/20/420468520.db2.gz PCYBILFQPOBNIK-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000659755222 420469151 /nfs/dbraw/zinc/46/91/51/420469151.db2.gz JLJWJVWYAVGLAZ-RWMBFGLXSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000659756359 420469252 /nfs/dbraw/zinc/46/92/52/420469252.db2.gz QWDBZSJAGTWYKO-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659623255 420438315 /nfs/dbraw/zinc/43/83/15/420438315.db2.gz XYLOQXPTPRZPDE-GFCCVEGCSA-N 2 1 274.409 -0.027 20 0 CBADMP CC(=O)NC1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000681780774 545051340 /nfs/dbraw/zinc/05/13/40/545051340.db2.gz VOGJTAFUUZXRGB-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000659638997 420441946 /nfs/dbraw/zinc/44/19/46/420441946.db2.gz XWMUKEAZIJGITQ-GFCCVEGCSA-N 2 1 299.419 -0.600 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000659637249 420442233 /nfs/dbraw/zinc/44/22/33/420442233.db2.gz BVGQFWGFTJMXPY-VXGBXAGGSA-N 2 1 297.403 -0.800 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000659637246 420442244 /nfs/dbraw/zinc/44/22/44/420442244.db2.gz BVGQFWGFTJMXPY-RYUDHWBXSA-N 2 1 297.403 -0.800 20 0 CBADMP Nc1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)ccn1 ZINC000580952279 420470777 /nfs/dbraw/zinc/47/07/77/420470777.db2.gz UFFCULAKRQLHBM-ZDUSSCGKSA-N 2 1 261.373 0.143 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C1CC1 ZINC000659685265 420448797 /nfs/dbraw/zinc/44/87/97/420448797.db2.gz PYZXNBDTOZPIHU-GHMZBOCLSA-N 2 1 286.351 -0.906 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)C1CC1 ZINC000659684224 420449351 /nfs/dbraw/zinc/44/93/51/420449351.db2.gz GMROQNQHJWLFCZ-UHFFFAOYSA-N 2 1 280.372 -0.854 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000659694468 420450931 /nfs/dbraw/zinc/45/09/31/420450931.db2.gz UECPAEDQJAHWKB-DCAQKATOSA-N 2 1 282.388 -0.548 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659699109 420451652 /nfs/dbraw/zinc/45/16/52/420451652.db2.gz LKINTTKASRLYFV-WDEREUQCSA-N 2 1 272.393 -0.443 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000659701767 420451656 /nfs/dbraw/zinc/45/16/56/420451656.db2.gz JJRUSAQFYPBOIY-SDDRHHMPSA-N 2 1 282.388 -0.547 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000659705142 420452631 /nfs/dbraw/zinc/45/26/31/420452631.db2.gz VGDCRDCYCUJEOD-GHMZBOCLSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[N@@H+](C)C1CC1 ZINC000659701901 420453038 /nfs/dbraw/zinc/45/30/38/420453038.db2.gz JNNDGUNJMLHPLN-JTQLQIEISA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659703296 420453207 /nfs/dbraw/zinc/45/32/07/420453207.db2.gz YEAMTFHOYXOERZ-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[N@@H+](C)C1CC1 ZINC000659703213 420453400 /nfs/dbraw/zinc/45/34/00/420453400.db2.gz XRZTVSXUBBSINH-NLTNOIMHSA-N 2 1 294.399 -0.547 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659711601 420455104 /nfs/dbraw/zinc/45/51/04/420455104.db2.gz BCESOCBWTNXUBY-GFCCVEGCSA-N 2 1 296.415 -0.156 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000659711719 420455424 /nfs/dbraw/zinc/45/54/24/420455424.db2.gz CQCZFNUCKQCHMI-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000659712118 420455587 /nfs/dbraw/zinc/45/55/87/420455587.db2.gz IAVZUCZCYZPFAP-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000659712815 420455630 /nfs/dbraw/zinc/45/56/30/420455630.db2.gz MFDQWWMGQUTPPL-NWDGAFQWSA-N 2 1 296.415 -0.156 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH2+]CC)C1 ZINC000659714800 420457160 /nfs/dbraw/zinc/45/71/60/420457160.db2.gz WBCYKJVCSNKVMC-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659715537 420457333 /nfs/dbraw/zinc/45/73/33/420457333.db2.gz PTMXBUJDMUQOJJ-ZJUUUORDSA-N 2 1 270.377 -0.561 20 0 CBADMP CN(C)c1nc(N)nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000573207346 420457528 /nfs/dbraw/zinc/45/75/28/420457528.db2.gz OCJNWAKZOQAHFS-UHFFFAOYSA-N 2 1 291.403 0.095 20 0 CBADMP Cc1ccc(NCCC[NH2+]CCC(=O)NC(N)=O)[nH+]c1 ZINC000573110974 420457648 /nfs/dbraw/zinc/45/76/48/420457648.db2.gz JSSMUSSVMYZGSC-UHFFFAOYSA-N 2 1 279.344 0.367 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000659718357 420457731 /nfs/dbraw/zinc/45/77/31/420457731.db2.gz PRVREBXYMASPTD-NEPJUHHUSA-N 2 1 282.388 -0.560 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000659716136 420457760 /nfs/dbraw/zinc/45/77/60/420457760.db2.gz WIEVZNSGQZQBLC-RYUDHWBXSA-N 2 1 296.415 -0.171 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000659722123 420458811 /nfs/dbraw/zinc/45/88/11/420458811.db2.gz MQSKRJJUHFAKIM-AVGNSLFASA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000659720272 420459325 /nfs/dbraw/zinc/45/93/25/420459325.db2.gz RXRZQZUPIIPKMH-VXGBXAGGSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659719506 420459592 /nfs/dbraw/zinc/45/95/92/420459592.db2.gz YMOCJJIVWCTECW-WDEREUQCSA-N 2 1 284.404 -0.171 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000659727111 420459782 /nfs/dbraw/zinc/45/97/82/420459782.db2.gz HTTOJEQRBSWDMW-UHFFFAOYSA-N 2 1 286.420 -0.112 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000659726596 420459796 /nfs/dbraw/zinc/45/97/96/420459796.db2.gz FESHZBKACXNQHL-LBPRGKRZSA-N 2 1 296.415 -0.168 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000659726230 420460534 /nfs/dbraw/zinc/46/05/34/420460534.db2.gz BJEWHXKHJWXZFK-GFCCVEGCSA-N 2 1 286.420 -0.195 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659735306 420462187 /nfs/dbraw/zinc/46/21/87/420462187.db2.gz RGEFEMNVBQKVKI-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659735269 420462203 /nfs/dbraw/zinc/46/22/03/420462203.db2.gz QVXAQYSLAQAMDA-LBPRGKRZSA-N 2 1 296.415 -0.025 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659734312 420462273 /nfs/dbraw/zinc/46/22/73/420462273.db2.gz MLLJRCJBNDVBTB-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000659738867 420463082 /nfs/dbraw/zinc/46/30/82/420463082.db2.gz JKAJTEPEGWLAKB-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000659738540 420463228 /nfs/dbraw/zinc/46/32/28/420463228.db2.gz FWTAQEUIFCPSFP-GFCCVEGCSA-N 2 1 282.388 -0.463 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)C1 ZINC000659739722 420464904 /nfs/dbraw/zinc/46/49/04/420464904.db2.gz YLNMZRMSJVWCAE-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659749378 420466356 /nfs/dbraw/zinc/46/63/56/420466356.db2.gz HCEJGDNZLJTHHD-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC000659880151 420476112 /nfs/dbraw/zinc/47/61/12/420476112.db2.gz ZJBQYCZMIPWXCJ-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCN2CCOC[C@@H]2C1 ZINC000660274437 420487903 /nfs/dbraw/zinc/48/79/03/420487903.db2.gz RUNNVJHEEJVBJC-UONOGXRCSA-N 2 1 271.405 -0.296 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCN2CCOC[C@H]2C1 ZINC000660274436 420488021 /nfs/dbraw/zinc/48/80/21/420488021.db2.gz RUNNVJHEEJVBJC-KGLIPLIRSA-N 2 1 271.405 -0.296 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN[C@H](CO)c1cnn(C)c1 ZINC000660271660 420488282 /nfs/dbraw/zinc/48/82/82/420488282.db2.gz ZWBMTZJDPGDESN-QWHCGFSZSA-N 2 1 270.377 -0.256 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCO)[C@H](C)C1 ZINC000660332989 420489357 /nfs/dbraw/zinc/48/93/57/420489357.db2.gz ZCEBSFQWCSGOKD-ZIAGYGMSSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000660332989 420489358 /nfs/dbraw/zinc/48/93/58/420489358.db2.gz ZCEBSFQWCSGOKD-ZIAGYGMSSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000660332989 420489359 /nfs/dbraw/zinc/48/93/59/420489359.db2.gz ZCEBSFQWCSGOKD-ZIAGYGMSSA-N 2 1 273.421 -0.314 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)CCN2C1=O ZINC000521646510 260198570 /nfs/dbraw/zinc/19/85/70/260198570.db2.gz VYAKQBQTBKGTLG-IJLUTSLNSA-N 2 1 253.346 -0.343 20 0 CBADMP CN(C)C(=O)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000401680870 260210868 /nfs/dbraw/zinc/21/08/68/260210868.db2.gz KHEZZQTWQKZACL-UHFFFAOYSA-N 2 1 297.403 -0.893 20 0 CBADMP COC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC[NH2+]C1 ZINC000310811035 262175359 /nfs/dbraw/zinc/17/53/59/262175359.db2.gz GIMSDVMXJGNEDB-AAEUAGOBSA-N 2 1 255.362 -0.320 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000519531908 265457457 /nfs/dbraw/zinc/45/74/57/265457457.db2.gz JYBAZBKCWZMVNT-WCQYABFASA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH+](C)CC1(NC(=O)CN2CC[NH+](C)CC2)CCC1 ZINC000684989766 545078868 /nfs/dbraw/zinc/07/88/68/545078868.db2.gz RHSCRHNYCNCZKC-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397385718 269586559 /nfs/dbraw/zinc/58/65/59/269586559.db2.gz LUNOJBNVAVBCMM-BBBLOLIVSA-N 2 1 256.350 -0.253 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397385718 269586561 /nfs/dbraw/zinc/58/65/61/269586561.db2.gz LUNOJBNVAVBCMM-BBBLOLIVSA-N 2 1 256.350 -0.253 20 0 CBADMP C[NH+]1CCN(c2cnc(N3CC[NH+](C)CC3)cn2)CC1 ZINC000685263131 545080133 /nfs/dbraw/zinc/08/01/33/545080133.db2.gz SEGCPRCBYBCBPZ-UHFFFAOYSA-N 2 1 276.388 -0.020 20 0 CBADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419111294 276049913 /nfs/dbraw/zinc/04/99/13/276049913.db2.gz UFFJGWHWHWQXTC-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000332355627 276366549 /nfs/dbraw/zinc/36/65/49/276366549.db2.gz SCCZVPMNYLROHJ-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)C1 ZINC000356399506 276392045 /nfs/dbraw/zinc/39/20/45/276392045.db2.gz ZSUYQWABYXPAFM-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)C1 ZINC000356399506 276392046 /nfs/dbraw/zinc/39/20/46/276392046.db2.gz ZSUYQWABYXPAFM-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP CNC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000352364307 277014917 /nfs/dbraw/zinc/01/49/17/277014917.db2.gz BQANLUVXDSNOKL-GXTWGEPZSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@]1(C)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000352364307 277014919 /nfs/dbraw/zinc/01/49/19/277014919.db2.gz BQANLUVXDSNOKL-GXTWGEPZSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@]1(C)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000352364307 277014921 /nfs/dbraw/zinc/01/49/21/277014921.db2.gz BQANLUVXDSNOKL-GXTWGEPZSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@]1(C)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352364307 277014922 /nfs/dbraw/zinc/01/49/22/277014922.db2.gz BQANLUVXDSNOKL-GXTWGEPZSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000419585265 277032005 /nfs/dbraw/zinc/03/20/05/277032005.db2.gz LWBCQIWODZHVKK-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CCN(C(=O)CN2CCCC[C@@H]2C(=[NH2+])NO)CC1 ZINC000368527119 277090005 /nfs/dbraw/zinc/09/00/05/277090005.db2.gz QDDSPTKUOOFYTL-LLVKDONJSA-N 2 1 283.376 -0.429 20 0 CBADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000494943391 277184414 /nfs/dbraw/zinc/18/44/14/277184414.db2.gz WFZOCLNGILFCPU-GWCFXTLKSA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000494943391 277184415 /nfs/dbraw/zinc/18/44/15/277184415.db2.gz WFZOCLNGILFCPU-GWCFXTLKSA-N 2 1 255.362 -0.300 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473140 277237010 /nfs/dbraw/zinc/23/70/10/277237010.db2.gz OAWKNFXXHJIQST-UKKRHICBSA-N 2 1 268.361 -0.110 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000515659025 277286708 /nfs/dbraw/zinc/28/67/08/277286708.db2.gz ANWUAZPBJGUNHI-AAEUAGOBSA-N 2 1 257.378 -0.066 20 0 CBADMP CC(C)([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000430890895 277305855 /nfs/dbraw/zinc/30/58/55/277305855.db2.gz SYEUAAITJONGDR-VIFPVBQESA-N 2 1 256.350 -0.820 20 0 CBADMP CC(C)([NH3+])CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332720073 277306523 /nfs/dbraw/zinc/30/65/23/277306523.db2.gz NZAQBKJEPSQWBI-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP CC(C)([NH3+])CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332720073 277306524 /nfs/dbraw/zinc/30/65/24/277306524.db2.gz NZAQBKJEPSQWBI-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262052758 277373284 /nfs/dbraw/zinc/37/32/84/277373284.db2.gz ZVTDWEILXLJPAI-RYUDHWBXSA-N 2 1 256.346 -0.016 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423010465 277399667 /nfs/dbraw/zinc/39/96/67/277399667.db2.gz GIJYLXCHNUMZKI-ZDUSSCGKSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430941927 278140162 /nfs/dbraw/zinc/14/01/62/278140162.db2.gz AGTCZLIYQONDSB-FVCCEPFGSA-N 2 1 296.415 -0.232 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430941927 278140165 /nfs/dbraw/zinc/14/01/65/278140165.db2.gz AGTCZLIYQONDSB-FVCCEPFGSA-N 2 1 296.415 -0.232 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000351864821 278142484 /nfs/dbraw/zinc/14/24/84/278142484.db2.gz ZLBMXUYPIYJBSB-MRVWCRGKSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000351864821 278142486 /nfs/dbraw/zinc/14/24/86/278142486.db2.gz ZLBMXUYPIYJBSB-MRVWCRGKSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](CC(N)=O)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442888616 278165101 /nfs/dbraw/zinc/16/51/01/278165101.db2.gz GTJNMHQFJQRIBS-LLVKDONJSA-N 2 1 256.394 -0.134 20 0 CBADMP C[C@H](CC(N)=O)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000346061042 278165142 /nfs/dbraw/zinc/16/51/42/278165142.db2.gz FHVFQVZAONJTNA-MNOVXSKESA-N 2 1 270.377 -0.573 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419730511 278181773 /nfs/dbraw/zinc/18/17/73/278181773.db2.gz KCJQQHUDHJOHSE-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000351518591 278197812 /nfs/dbraw/zinc/19/78/12/278197812.db2.gz CRBGHLVSYSMVDF-ZYHUDNBSSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433395903 288070373 /nfs/dbraw/zinc/07/03/73/288070373.db2.gz ULTQGOWYEIGGLN-VXGBXAGGSA-N 2 1 292.387 -0.021 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433395903 288070375 /nfs/dbraw/zinc/07/03/75/288070375.db2.gz ULTQGOWYEIGGLN-VXGBXAGGSA-N 2 1 292.387 -0.021 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000362869498 288096273 /nfs/dbraw/zinc/09/62/73/288096273.db2.gz WIQJHJIIFDMZSK-UMVBOHGHSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000362869498 288096276 /nfs/dbraw/zinc/09/62/76/288096276.db2.gz WIQJHJIIFDMZSK-UMVBOHGHSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000487168357 288096508 /nfs/dbraw/zinc/09/65/08/288096508.db2.gz ZWBMIZHGCQGYDR-WZRBSPASSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000487168357 288096509 /nfs/dbraw/zinc/09/65/09/288096509.db2.gz ZWBMIZHGCQGYDR-WZRBSPASSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000487168357 288096511 /nfs/dbraw/zinc/09/65/11/288096511.db2.gz ZWBMIZHGCQGYDR-WZRBSPASSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000420137249 279034801 /nfs/dbraw/zinc/03/48/01/279034801.db2.gz DLDVRLDTZNKTGB-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000343554019 279042209 /nfs/dbraw/zinc/04/22/09/279042209.db2.gz VOBHDOQTCOVGJP-SCRDCRAPSA-N 2 1 267.373 -0.035 20 0 CBADMP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186637234 279175381 /nfs/dbraw/zinc/17/53/81/279175381.db2.gz HZABPPLJOHZABW-OLZOCXBDSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000419522646 279190204 /nfs/dbraw/zinc/19/02/04/279190204.db2.gz MYQUMERBLSMCBD-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000420107255 279191281 /nfs/dbraw/zinc/19/12/81/279191281.db2.gz ASAFGJRSTJJNBC-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@@H+](CCNC(=O)NC[C@]1(O)CC[NH+](C)C1)C1CC1 ZINC000358727730 279199785 /nfs/dbraw/zinc/19/97/85/279199785.db2.gz WNZBCLJOFVNXRQ-CQSZACIVSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[NH+](CCNC(=O)NC[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000358727730 279199788 /nfs/dbraw/zinc/19/97/88/279199788.db2.gz WNZBCLJOFVNXRQ-CQSZACIVSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[NH+](CCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000358727730 279199790 /nfs/dbraw/zinc/19/97/90/279199790.db2.gz WNZBCLJOFVNXRQ-CQSZACIVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419698020 279294563 /nfs/dbraw/zinc/29/45/63/279294563.db2.gz RRLPHQXQEUBVCM-GHMZBOCLSA-N 2 1 282.388 -0.417 20 0 CBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420148240 279306431 /nfs/dbraw/zinc/30/64/31/279306431.db2.gz FIFJFWRDZJOZSA-SECBINFHSA-N 2 1 292.330 -0.703 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420148240 279306432 /nfs/dbraw/zinc/30/64/32/279306432.db2.gz FIFJFWRDZJOZSA-SECBINFHSA-N 2 1 292.330 -0.703 20 0 CBADMP Cn1c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc(=O)n(C)c1=O ZINC000070150065 279307356 /nfs/dbraw/zinc/30/73/56/279307356.db2.gz BBQDGARQDKNVKC-LLVKDONJSA-N 2 1 280.372 -0.213 20 0 CBADMP Cn1c(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc(=O)n(C)c1=O ZINC000070150065 279307358 /nfs/dbraw/zinc/30/73/58/279307358.db2.gz BBQDGARQDKNVKC-LLVKDONJSA-N 2 1 280.372 -0.213 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000420354598 279346539 /nfs/dbraw/zinc/34/65/39/279346539.db2.gz OWSIXGYNTTXMFZ-AVGNSLFASA-N 2 1 268.405 -0.040 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262075543 279351860 /nfs/dbraw/zinc/35/18/60/279351860.db2.gz PUSNVNIOZVZZNK-ZDUSSCGKSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424157421 279356294 /nfs/dbraw/zinc/35/62/94/279356294.db2.gz QYMMIIRADHWRFJ-OLZOCXBDSA-N 2 1 268.405 -0.133 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351561544 288126949 /nfs/dbraw/zinc/12/69/49/288126949.db2.gz YYMLBDXWDKHBEI-KGYLQXTDSA-N 2 1 294.399 -0.547 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000366458831 279389589 /nfs/dbraw/zinc/38/95/89/279389589.db2.gz FGTLXZBNOHCIQK-AGIUHOORSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000366458831 279389590 /nfs/dbraw/zinc/38/95/90/279389590.db2.gz FGTLXZBNOHCIQK-AGIUHOORSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC000452981716 279389956 /nfs/dbraw/zinc/38/99/56/279389956.db2.gz AENNBQJTCPXGEC-XQQFMLRXSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC000452981716 279389957 /nfs/dbraw/zinc/38/99/57/279389957.db2.gz AENNBQJTCPXGEC-XQQFMLRXSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C1 ZINC000452981716 279389958 /nfs/dbraw/zinc/38/99/58/279389958.db2.gz AENNBQJTCPXGEC-XQQFMLRXSA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C1 ZINC000452981716 279389960 /nfs/dbraw/zinc/38/99/60/279389960.db2.gz AENNBQJTCPXGEC-XQQFMLRXSA-N 2 1 267.373 -0.130 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423353145 280008281 /nfs/dbraw/zinc/00/82/81/280008281.db2.gz CPZKWXYQADQULM-ZDUSSCGKSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423353145 280008282 /nfs/dbraw/zinc/00/82/82/280008282.db2.gz CPZKWXYQADQULM-ZDUSSCGKSA-N 2 1 296.415 -0.265 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000424196757 280104558 /nfs/dbraw/zinc/10/45/58/280104558.db2.gz VSGUUCGJKILRPP-AVGNSLFASA-N 2 1 267.373 -0.177 20 0 CBADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000442804366 280123916 /nfs/dbraw/zinc/12/39/16/280123916.db2.gz ZCELLOYTPSILOG-WOPDTQHZSA-N 2 1 284.404 -0.184 20 0 CBADMP CC[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@H+]1CCOC ZINC000430720891 280351791 /nfs/dbraw/zinc/35/17/91/280351791.db2.gz NSHPMLNDXLWDTC-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H](C[NH3+])OC)CC[N@H+]1C[C@@H](C)O ZINC000353434687 280365706 /nfs/dbraw/zinc/36/57/06/280365706.db2.gz VQCPHLIZEHEHNH-IJLUTSLNSA-N 2 1 273.377 -0.736 20 0 CBADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CNC(=O)C[NH3+] ZINC000094447066 288289623 /nfs/dbraw/zinc/28/96/23/288289623.db2.gz MXSGKILQFYSWEZ-GHMZBOCLSA-N 2 1 268.361 -0.854 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000332187914 288300761 /nfs/dbraw/zinc/30/07/61/288300761.db2.gz TXXZLXDVFMRLKY-GRYCIOLGSA-N 2 1 280.372 -0.840 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCC[N@H+]1C ZINC000419541705 289048880 /nfs/dbraw/zinc/04/88/80/289048880.db2.gz DGBOCSHDVORLBW-IJLUTSLNSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCC[N@H+]1C ZINC000419558485 289049537 /nfs/dbraw/zinc/04/95/37/289049537.db2.gz NYIRUFVBHFUSLC-YUSALJHKSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[N@H+]1C ZINC000419556630 289049543 /nfs/dbraw/zinc/04/95/43/289049543.db2.gz KWTYMLIQUNYINT-FVCCEPFGSA-N 2 1 294.399 -0.737 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CCC[N@H+]1C ZINC000419543787 289049669 /nfs/dbraw/zinc/04/96/69/289049669.db2.gz GUGZPOGRGQXDEE-FDYHWXHSSA-N 2 1 296.415 -0.171 20 0 CBADMP C[NH+](C)C1(CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CCC1 ZINC000446616098 289051330 /nfs/dbraw/zinc/05/13/30/289051330.db2.gz VGILQYOHSIADSR-CQSZACIVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+](C)C[C@H]1CN(CC[N@H+]2CCCOCC2)CCO1 ZINC000361291304 289218181 /nfs/dbraw/zinc/21/81/81/289218181.db2.gz WZXGDIGUHMRKAK-AWEZNQCLSA-N 2 1 271.405 -0.029 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420302069 289242290 /nfs/dbraw/zinc/24/22/90/289242290.db2.gz WEZVVOZKVGIUFR-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2([NH3+])CCC2)[C@@H](C)C1 ZINC000332457752 290094754 /nfs/dbraw/zinc/09/47/54/290094754.db2.gz ICSHVMVOCFFYDZ-RYUDHWBXSA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)[C@H](C)C1 ZINC000418409092 290098785 /nfs/dbraw/zinc/09/87/85/290098785.db2.gz VGXAQJGRGWAXGI-MDZLAQPJSA-N 2 1 284.404 -0.180 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000434455443 290104152 /nfs/dbraw/zinc/10/41/52/290104152.db2.gz ZHVYYBAJJIKPBO-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000434455443 290104155 /nfs/dbraw/zinc/10/41/55/290104155.db2.gz ZHVYYBAJJIKPBO-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CC(F)F)C[C@H]1C ZINC000345708644 290108085 /nfs/dbraw/zinc/10/80/85/290108085.db2.gz JNWHULMVYWAEHA-KXUCPTDWSA-N 2 1 279.331 -0.118 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]([NH3+])CC(F)F)C[C@H]1C ZINC000345708644 290108088 /nfs/dbraw/zinc/10/80/88/290108088.db2.gz JNWHULMVYWAEHA-KXUCPTDWSA-N 2 1 279.331 -0.118 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)C1 ZINC000351584829 290113688 /nfs/dbraw/zinc/11/36/88/290113688.db2.gz XEWRCDDSMWMKQE-YDHLFZDLSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)[C@@H](C)C1 ZINC000351584829 290113691 /nfs/dbraw/zinc/11/36/91/290113691.db2.gz XEWRCDDSMWMKQE-YDHLFZDLSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H](C)C1 ZINC000351584829 290113695 /nfs/dbraw/zinc/11/36/95/290113695.db2.gz XEWRCDDSMWMKQE-YDHLFZDLSA-N 2 1 285.432 -0.172 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC1CC1 ZINC000436057668 295225551 /nfs/dbraw/zinc/22/55/51/295225551.db2.gz WGPWQSVTKYTRGB-ZDUSSCGKSA-N 2 1 296.415 -0.168 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC1CC1 ZINC000436057668 295225554 /nfs/dbraw/zinc/22/55/54/295225554.db2.gz WGPWQSVTKYTRGB-ZDUSSCGKSA-N 2 1 296.415 -0.168 20 0 CBADMP [NH3+]CCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000515402398 295233791 /nfs/dbraw/zinc/23/37/91/295233791.db2.gz JSXZVSRSJZDDFM-NEPJUHHUSA-N 2 1 270.377 -0.112 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000063180303 295234712 /nfs/dbraw/zinc/23/47/12/295234712.db2.gz OOIADNXEABPUSA-ZDUSSCGKSA-N 2 1 284.404 -0.895 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)O1 ZINC000374519077 295274713 /nfs/dbraw/zinc/27/47/13/295274713.db2.gz IWZGXMMTSFMZKA-MQYQWHSLSA-N 2 1 297.399 -0.450 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000332187917 297092482 /nfs/dbraw/zinc/09/24/82/297092482.db2.gz TXXZLXDVFMRLKY-IJLUTSLNSA-N 2 1 280.372 -0.840 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261557952 298132998 /nfs/dbraw/zinc/13/29/98/298132998.db2.gz CXJBDBXQQGKYEB-SECBINFHSA-N 2 1 254.334 -0.355 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252839968 298134952 /nfs/dbraw/zinc/13/49/52/298134952.db2.gz BGXRWMKJECKAMI-KATARQTJSA-N 2 1 254.334 -0.371 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358497545 303267840 /nfs/dbraw/zinc/26/78/40/303267840.db2.gz BQQAOAOKTOSJOH-UHFFFAOYSA-N 2 1 254.334 -0.353 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418322991 303368146 /nfs/dbraw/zinc/36/81/46/303368146.db2.gz UJZQJDSUDSRYFD-MRVPVSSYSA-N 2 1 250.293 -0.121 20 0 CBADMP O=C(C[NH2+]C1CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186597321 327697619 /nfs/dbraw/zinc/69/76/19/327697619.db2.gz NLEOOSDTRNIQTL-GFCCVEGCSA-N 2 1 280.372 -0.839 20 0 CBADMP O=C(C[NH2+]C1CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186597297 327697631 /nfs/dbraw/zinc/69/76/31/327697631.db2.gz NLEOOSDTRNIQTL-LBPRGKRZSA-N 2 1 280.372 -0.839 20 0 CBADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000580329018 327830597 /nfs/dbraw/zinc/83/05/97/327830597.db2.gz VWXJVPSTKBUIEK-GXFFZTMASA-N 2 1 279.340 -0.119 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000563144295 327929788 /nfs/dbraw/zinc/92/97/88/327929788.db2.gz VYUDRXJKOADPIV-GHMZBOCLSA-N 2 1 298.339 -0.675 20 0 CBADMP C[C@H]1C[NH2+]CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000563152382 327931355 /nfs/dbraw/zinc/93/13/55/327931355.db2.gz SWJGABYOGZKJOU-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP Cc1nccn1CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563444003 328067136 /nfs/dbraw/zinc/06/71/36/328067136.db2.gz ZYLIKEGNSQOBAZ-QWHCGFSZSA-N 2 1 277.372 -0.175 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563569923 328074221 /nfs/dbraw/zinc/07/42/21/328074221.db2.gz LVVACQAHPTXGPA-UHFFFAOYSA-N 2 1 299.419 -0.551 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000563596640 328076242 /nfs/dbraw/zinc/07/62/42/328076242.db2.gz UKQUASDSTZUQON-ZIAGYGMSSA-N 2 1 297.447 -0.079 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000563618881 328077432 /nfs/dbraw/zinc/07/74/32/328077432.db2.gz QMRYDYIQFDLYIT-NSHDSACASA-N 2 1 282.388 -0.689 20 0 CBADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)NC1C[NH2+]C1 ZINC000563628528 328078595 /nfs/dbraw/zinc/07/85/95/328078595.db2.gz UADSEJYQDLWNSQ-GFCCVEGCSA-N 2 1 280.372 -0.793 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000571102799 328086634 /nfs/dbraw/zinc/08/66/34/328086634.db2.gz VACYEDVFZSFFCR-UHFFFAOYSA-N 2 1 297.403 -0.511 20 0 CBADMP COC[C@@]1(CNC(=O)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000571149721 328088190 /nfs/dbraw/zinc/08/81/90/328088190.db2.gz NQUKWAIKXFCVQA-ZDUSSCGKSA-N 2 1 270.377 -0.288 20 0 CBADMP COC[C@]1(CNC(=O)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000571149718 328088267 /nfs/dbraw/zinc/08/82/67/328088267.db2.gz NQUKWAIKXFCVQA-CYBMUJFWSA-N 2 1 270.377 -0.288 20 0 CBADMP C[C@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000584340474 328127770 /nfs/dbraw/zinc/12/77/70/328127770.db2.gz GEGHIJVUTWKNLL-DGCLKSJQSA-N 2 1 283.420 -0.247 20 0 CBADMP [NH3+]CCOCC[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000571521952 328131133 /nfs/dbraw/zinc/13/11/33/328131133.db2.gz IQVJRURJMGMILP-LLVKDONJSA-N 2 1 251.334 -0.062 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000557596099 327014997 /nfs/dbraw/zinc/01/49/97/327014997.db2.gz LBAWXWOOWSNMGX-CHWSQXEVSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000557596099 327014998 /nfs/dbraw/zinc/01/49/98/327014998.db2.gz LBAWXWOOWSNMGX-CHWSQXEVSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H]1[C@H](C)NCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000565833628 327031066 /nfs/dbraw/zinc/03/10/66/327031066.db2.gz MIEMMYRUVMLBOO-YNEHKIRRSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1[C@H](C)NCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000565833628 327031068 /nfs/dbraw/zinc/03/10/68/327031068.db2.gz MIEMMYRUVMLBOO-YNEHKIRRSA-N 2 1 268.405 -0.134 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000576953463 327057921 /nfs/dbraw/zinc/05/79/21/327057921.db2.gz NNTXRAHSQSWJND-JTQLQIEISA-N 2 1 276.331 -0.523 20 0 CBADMP CC(C)[C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC[N@H+]1C ZINC000584221968 327066413 /nfs/dbraw/zinc/06/64/13/327066413.db2.gz MJAVKGAISOAEIJ-ZIAGYGMSSA-N 2 1 297.447 -0.128 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000564448287 327089245 /nfs/dbraw/zinc/08/92/45/327089245.db2.gz LHZHNCWLIPWLJA-NWDGAFQWSA-N 2 1 282.388 -0.430 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](COCCOC)C1 ZINC000573126261 327100792 /nfs/dbraw/zinc/10/07/92/327100792.db2.gz MOMTZZWQKLPUKI-QWHCGFSZSA-N 2 1 260.378 -0.058 20 0 CBADMP CC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000566179877 327157904 /nfs/dbraw/zinc/15/79/04/327157904.db2.gz VYJCMQDOBHGGCF-NXEZZACHSA-N 2 1 256.350 -0.820 20 0 CBADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000569455942 327180106 /nfs/dbraw/zinc/18/01/06/327180106.db2.gz FDJHOVOXPQTLCG-CQSZACIVSA-N 2 1 266.389 -0.506 20 0 CBADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCNCC1 ZINC000569455942 327180108 /nfs/dbraw/zinc/18/01/08/327180108.db2.gz FDJHOVOXPQTLCG-CQSZACIVSA-N 2 1 266.389 -0.506 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000569481227 327183909 /nfs/dbraw/zinc/18/39/09/327183909.db2.gz ARBQNJXUFJQDDZ-SDDRHHMPSA-N 2 1 282.388 -0.560 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000569483683 327184467 /nfs/dbraw/zinc/18/44/67/327184467.db2.gz VKTQZDDNLKFOOM-GFCCVEGCSA-N 2 1 259.325 -0.475 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2C[NH2+]C2)C[C@@H]1C ZINC000569560216 327197861 /nfs/dbraw/zinc/19/78/61/327197861.db2.gz ZKWMZRWUIYPYNR-UWVGGRQHSA-N 2 1 268.361 -0.985 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2C[NH2+]C2)C[C@@H]1C ZINC000569560216 327197863 /nfs/dbraw/zinc/19/78/63/327197863.db2.gz ZKWMZRWUIYPYNR-UWVGGRQHSA-N 2 1 268.361 -0.985 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC2C[NH2+]C2)C[C@H]1C ZINC000569560215 327197896 /nfs/dbraw/zinc/19/78/96/327197896.db2.gz ZKWMZRWUIYPYNR-NXEZZACHSA-N 2 1 268.361 -0.985 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC2C[NH2+]C2)C[C@H]1C ZINC000569560215 327197897 /nfs/dbraw/zinc/19/78/97/327197897.db2.gz ZKWMZRWUIYPYNR-NXEZZACHSA-N 2 1 268.361 -0.985 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC2C[NH2+]C2)C[C@@H]1C ZINC000569560217 327197956 /nfs/dbraw/zinc/19/79/56/327197956.db2.gz ZKWMZRWUIYPYNR-VHSXEESVSA-N 2 1 268.361 -0.985 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC2C[NH2+]C2)C[C@@H]1C ZINC000569560217 327197957 /nfs/dbraw/zinc/19/79/57/327197957.db2.gz ZKWMZRWUIYPYNR-VHSXEESVSA-N 2 1 268.361 -0.985 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000564666623 327256818 /nfs/dbraw/zinc/25/68/18/327256818.db2.gz OEFKNHKCGNPRCM-BFHYXJOUSA-N 2 1 290.404 -0.697 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000564666623 327256819 /nfs/dbraw/zinc/25/68/19/327256819.db2.gz OEFKNHKCGNPRCM-BFHYXJOUSA-N 2 1 290.404 -0.697 20 0 CBADMP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C(=O)NCC[NH+](C)C ZINC000560564213 327325043 /nfs/dbraw/zinc/32/50/43/327325043.db2.gz TZKSZDBPYTVNCF-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C(=O)NCC1(O)CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000569621921 327378802 /nfs/dbraw/zinc/37/88/02/327378802.db2.gz SOIVUEUMUCBHOA-LBPRGKRZSA-N 2 1 269.389 -0.101 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000582536655 329108426 /nfs/dbraw/zinc/10/84/26/329108426.db2.gz XJOYAQMBUSNEIK-AVGNSLFASA-N 2 1 294.399 -0.402 20 0 CBADMP CCCN1CCC[N@H+](CCN2CC[NH2+]CC2)CC1=O ZINC000582786801 329198541 /nfs/dbraw/zinc/19/85/41/329198541.db2.gz HQIGWBBSVKDNOA-UHFFFAOYSA-N 2 1 268.405 -0.164 20 0 CBADMP CCCN1CCC[N@@H+](CCN2CC[NH2+]CC2)CC1=O ZINC000582786801 329198543 /nfs/dbraw/zinc/19/85/43/329198543.db2.gz HQIGWBBSVKDNOA-UHFFFAOYSA-N 2 1 268.405 -0.164 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000582846644 329279222 /nfs/dbraw/zinc/27/92/22/329279222.db2.gz XSMADJHWGKYVTP-KBPBESRZSA-N 2 1 290.367 -0.067 20 0 CBADMP O=C(COC1C[NH2+]C1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000582965611 329295047 /nfs/dbraw/zinc/29/50/47/329295047.db2.gz VHIDTWSVKRCNPW-CYBMUJFWSA-N 2 1 276.340 -0.457 20 0 CBADMP C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)[N@@H+](C)C1CC1 ZINC000583132924 329318936 /nfs/dbraw/zinc/31/89/36/329318936.db2.gz KJPUDSQMWAAMSG-YPMHNXCESA-N 2 1 283.420 -0.328 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)[C@H]2C1 ZINC000583194022 329355727 /nfs/dbraw/zinc/35/57/27/329355727.db2.gz PZMZLZFWJPRTES-RYUDHWBXSA-N 2 1 294.399 -0.463 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000583198176 329360221 /nfs/dbraw/zinc/36/02/21/329360221.db2.gz NKOQZNIXUSDPET-RWMBFGLXSA-N 2 1 294.399 -0.641 20 0 CBADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCC(=O)NC(N)=O)CCCO1 ZINC000572357111 330001086 /nfs/dbraw/zinc/00/10/86/330001086.db2.gz DIPPBCURNVICML-LLVKDONJSA-N 2 1 286.376 -0.338 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000566249523 334638857 /nfs/dbraw/zinc/63/88/57/334638857.db2.gz VKZPVCCKFQXHRY-CHWSQXEVSA-N 2 1 278.356 -0.082 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@H]1C ZINC000311179753 334038219 /nfs/dbraw/zinc/03/82/19/334038219.db2.gz XXYWVCMYBPGYFS-CHWSQXEVSA-N 2 1 259.394 -0.439 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000576230892 335174726 /nfs/dbraw/zinc/17/47/26/335174726.db2.gz RIBPDICAZDTTBY-NSHDSACASA-N 2 1 271.361 -0.181 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000576230892 335174727 /nfs/dbraw/zinc/17/47/27/335174727.db2.gz RIBPDICAZDTTBY-NSHDSACASA-N 2 1 271.361 -0.181 20 0 CBADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC2C[NH2+]C2)CC1 ZINC000576254734 335178339 /nfs/dbraw/zinc/17/83/39/335178339.db2.gz AUPBPMCXMJLXAV-LLVKDONJSA-N 2 1 256.350 -0.944 20 0 CBADMP CC[N@@H+]1CC[C@H]([NH2+]CCS(=O)(=O)NC)[C@@H](C)C1 ZINC000251595702 334365090 /nfs/dbraw/zinc/36/50/90/334365090.db2.gz FQQLVIBPVKWVSW-QWRGUYRKSA-N 2 1 263.407 -0.145 20 0 CBADMP CC[N@H+]1CC[C@H]([NH2+]CCS(=O)(=O)NC)[C@@H](C)C1 ZINC000251595702 334365091 /nfs/dbraw/zinc/36/50/91/334365091.db2.gz FQQLVIBPVKWVSW-QWRGUYRKSA-N 2 1 263.407 -0.145 20 0 CBADMP C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[NH+]1CC(C)C1 ZINC000553198091 334368383 /nfs/dbraw/zinc/36/83/83/334368383.db2.gz QDWYZAQFLVVGNL-YPMHNXCESA-N 2 1 257.378 -0.245 20 0 CBADMP [NH3+]CCc1nc(C(=O)NCC(F)(F)C[NH3+])cs1 ZINC000564992308 334533034 /nfs/dbraw/zinc/53/30/34/334533034.db2.gz SIOXQGNZVCSDPQ-UHFFFAOYSA-N 2 1 264.301 -0.032 20 0 CBADMP CCC[NH2+]CCNC(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC000565302646 334550960 /nfs/dbraw/zinc/55/09/60/334550960.db2.gz MIFQEHXKSOEYMT-NSHDSACASA-N 2 1 253.350 -0.204 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000566206113 334635639 /nfs/dbraw/zinc/63/56/39/334635639.db2.gz QYKDTDYKCHHZKM-OLZOCXBDSA-N 2 1 278.356 -0.082 20 0 CBADMP C[C@@]1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]C1 ZINC000566207078 334635786 /nfs/dbraw/zinc/63/57/86/334635786.db2.gz RBDSGMBCFLPHLA-SWLSCSKDSA-N 2 1 294.399 -0.591 20 0 CBADMP C[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)N1CC[NH+](C)CC1 ZINC000566246911 334638624 /nfs/dbraw/zinc/63/86/24/334638624.db2.gz RJQWECAPUMAOKM-PWSUYJOCSA-N 2 1 254.378 -0.524 20 0 CBADMP O=C(C1CC[NH2+]CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000567165476 334686507 /nfs/dbraw/zinc/68/65/07/334686507.db2.gz BYKCHQQVYLWFQX-CYBMUJFWSA-N 2 1 294.399 -0.591 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]CCC(=O)Nc1ccc(C)cn1 ZINC000567875578 334770783 /nfs/dbraw/zinc/77/07/83/334770783.db2.gz HORDARWSBVJQQK-LLVKDONJSA-N 2 1 266.345 -0.111 20 0 CBADMP CC(=O)NCCN(C)[C@H](C)CC[N@H+](C)CCNC(C)=O ZINC000576343588 335191908 /nfs/dbraw/zinc/19/19/08/335191908.db2.gz WPEFLHATMQCEQU-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP CC(=O)NCCN(C)[C@H](C)CC[N@@H+](C)CCNC(C)=O ZINC000576343588 335191909 /nfs/dbraw/zinc/19/19/09/335191909.db2.gz WPEFLHATMQCEQU-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP CC(=O)NCCN(C)[C@@H](C)CC[N@H+](C)CCNC(C)=O ZINC000576343592 335191969 /nfs/dbraw/zinc/19/19/69/335191969.db2.gz WPEFLHATMQCEQU-LBPRGKRZSA-N 2 1 286.420 -0.099 20 0 CBADMP CC(=O)NCCN(C)[C@@H](C)CC[N@@H+](C)CCNC(C)=O ZINC000576343592 335191970 /nfs/dbraw/zinc/19/19/70/335191970.db2.gz WPEFLHATMQCEQU-LBPRGKRZSA-N 2 1 286.420 -0.099 20 0 CBADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)Cn1cccn1 ZINC000576346249 335192465 /nfs/dbraw/zinc/19/24/65/335192465.db2.gz HVQAGTOIWSJALJ-UONOGXRCSA-N 2 1 282.388 -0.320 20 0 CBADMP NC(=O)NC(=O)CC[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000576399489 335198829 /nfs/dbraw/zinc/19/88/29/335198829.db2.gz MTRXXXQTPUDXOL-LLVKDONJSA-N 2 1 286.376 -0.602 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000576412522 335201199 /nfs/dbraw/zinc/20/11/99/335201199.db2.gz XBICIWMYYDRUMQ-NEPJUHHUSA-N 2 1 269.393 -0.717 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000576412526 335201277 /nfs/dbraw/zinc/20/12/77/335201277.db2.gz XBICIWMYYDRUMQ-RYUDHWBXSA-N 2 1 269.393 -0.717 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000576458149 335205923 /nfs/dbraw/zinc/20/59/23/335205923.db2.gz TXHAXXDSMXYSEX-NEPJUHHUSA-N 2 1 264.329 -0.472 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000576574362 335220283 /nfs/dbraw/zinc/22/02/83/335220283.db2.gz CMNPOKWMINEIMY-GJZGRUSLSA-N 2 1 285.432 -0.047 20 0 CBADMP C[C@]1(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000576703814 335237257 /nfs/dbraw/zinc/23/72/57/335237257.db2.gz RQYYDXHCSFPXKX-KGLIPLIRSA-N 3 1 252.406 -0.035 20 0 CBADMP C[C@]1(CN2CC[C@@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000576703814 335237258 /nfs/dbraw/zinc/23/72/58/335237258.db2.gz RQYYDXHCSFPXKX-KGLIPLIRSA-N 2 1 252.406 -0.035 20 0 CBADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CC(=O)NC1=O ZINC000576714071 335238729 /nfs/dbraw/zinc/23/87/29/335238729.db2.gz LHYQSFGISMKHPB-SNVBAGLBSA-N 2 1 250.302 -0.071 20 0 CBADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CC(=O)NC1=O ZINC000576714071 335238730 /nfs/dbraw/zinc/23/87/30/335238730.db2.gz LHYQSFGISMKHPB-SNVBAGLBSA-N 2 1 250.302 -0.071 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000576716855 335239594 /nfs/dbraw/zinc/23/95/94/335239594.db2.gz XLOFFZLJCQERKT-NSHDSACASA-N 2 1 292.387 -0.201 20 0 CBADMP CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1)[C@H]1CC[NH2+]C1 ZINC000576753824 335243376 /nfs/dbraw/zinc/24/33/76/335243376.db2.gz ZKRLGBZGAHFYKA-ZJUUUORDSA-N 2 1 263.345 -0.080 20 0 CBADMP C[C@H](C(=O)N[C@H]1CCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000576989228 335274374 /nfs/dbraw/zinc/27/43/74/335274374.db2.gz NHIQHJGIIADOPJ-NEPJUHHUSA-N 2 1 254.378 -0.510 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000580647004 335310634 /nfs/dbraw/zinc/31/06/34/335310634.db2.gz VNIIJTJBJVXYQE-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000580647005 335310651 /nfs/dbraw/zinc/31/06/51/335310651.db2.gz VNIIJTJBJVXYQE-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000577400011 335348722 /nfs/dbraw/zinc/34/87/22/335348722.db2.gz QFRBIMQZGAEZES-NWDGAFQWSA-N 2 1 266.345 -0.237 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NCC[NH+](C)C ZINC000577767694 335399337 /nfs/dbraw/zinc/39/93/37/335399337.db2.gz JEUMLMFRLALWCQ-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C(=O)NCC[NH+](C)C ZINC000577767694 335399339 /nfs/dbraw/zinc/39/93/39/335399339.db2.gz JEUMLMFRLALWCQ-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000578502603 335641645 /nfs/dbraw/zinc/64/16/45/335641645.db2.gz WDWRRECBAASICK-QWRGUYRKSA-N 2 1 269.345 -0.427 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000578651681 335659429 /nfs/dbraw/zinc/65/94/29/335659429.db2.gz GLYLYPGZCILTPL-WDEREUQCSA-N 2 1 295.387 -0.060 20 0 CBADMP CC[C@H](C)NC(=O)CN1CC[NH+](CCOCC[NH3+])CC1 ZINC000579008420 335699943 /nfs/dbraw/zinc/69/99/43/335699943.db2.gz UOKVUUZGTUIAOE-ZDUSSCGKSA-N 2 1 286.420 -0.506 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000581180667 336020333 /nfs/dbraw/zinc/02/03/33/336020333.db2.gz XKFBRWNSHURWBZ-UHFFFAOYSA-N 2 1 295.431 -0.157 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000381261306 336057156 /nfs/dbraw/zinc/05/71/56/336057156.db2.gz PHCDJVKEZQCILW-FRRDWIJNSA-N 2 1 260.378 -0.060 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000381261306 336057158 /nfs/dbraw/zinc/05/71/58/336057158.db2.gz PHCDJVKEZQCILW-FRRDWIJNSA-N 2 1 260.378 -0.060 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000381261308 336057362 /nfs/dbraw/zinc/05/73/62/336057362.db2.gz PHCDJVKEZQCILW-RWMBFGLXSA-N 2 1 260.378 -0.060 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000381261308 336057363 /nfs/dbraw/zinc/05/73/63/336057363.db2.gz PHCDJVKEZQCILW-RWMBFGLXSA-N 2 1 260.378 -0.060 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000581478894 336086209 /nfs/dbraw/zinc/08/62/09/336086209.db2.gz WSDKYGQYYLKPTL-VXGBXAGGSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000581479061 336086319 /nfs/dbraw/zinc/08/63/19/336086319.db2.gz URMMPGRJGQZBJH-VXGBXAGGSA-N 2 1 294.399 -0.321 20 0 CBADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000382517942 336092121 /nfs/dbraw/zinc/09/21/21/336092121.db2.gz VEQRZMFGWSODEL-CYBMUJFWSA-N 2 1 268.361 -0.526 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000581546942 336099871 /nfs/dbraw/zinc/09/98/71/336099871.db2.gz PKVWJPWLTAEYCI-MNOVXSKESA-N 2 1 260.382 -0.274 20 0 CBADMP C[N@H+](CCn1nc2ccccn2c1=O)C1CC([NH3+])C1 ZINC000384862109 336133026 /nfs/dbraw/zinc/13/30/26/336133026.db2.gz NBCLVBNGBCEXMI-UHFFFAOYSA-N 2 1 261.329 -0.083 20 0 CBADMP C[N@@H+](CCn1nc2ccccn2c1=O)C1CC([NH3+])C1 ZINC000384862109 336133027 /nfs/dbraw/zinc/13/30/27/336133027.db2.gz NBCLVBNGBCEXMI-UHFFFAOYSA-N 2 1 261.329 -0.083 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000581823260 336147377 /nfs/dbraw/zinc/14/73/77/336147377.db2.gz VHZFQGRDGGWDKA-JTQLQIEISA-N 2 1 257.334 -0.571 20 0 CBADMP C[C@@H](C(=O)NC[C@H]([NH3+])C1CC1)N1CC[NH+](C)CC1 ZINC000581825177 336147873 /nfs/dbraw/zinc/14/78/73/336147873.db2.gz FOPZKXYXGPYDEA-JQWIXIFHSA-N 2 1 254.378 -0.524 20 0 CBADMP COCCC[N@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000782580661 582369333 /nfs/dbraw/zinc/36/93/33/582369333.db2.gz ZLRHFTGXGPTBNZ-CYBMUJFWSA-N 2 1 260.378 -0.226 20 0 CBADMP COCCC[N@@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000782580661 582369334 /nfs/dbraw/zinc/36/93/34/582369334.db2.gz ZLRHFTGXGPTBNZ-CYBMUJFWSA-N 2 1 260.378 -0.226 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCO ZINC000829749129 582897575 /nfs/dbraw/zinc/89/75/75/582897575.db2.gz DAWCYJZIXUKABF-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCO ZINC000829749129 582897576 /nfs/dbraw/zinc/89/75/76/582897576.db2.gz DAWCYJZIXUKABF-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCO ZINC000829749129 582897578 /nfs/dbraw/zinc/89/75/78/582897578.db2.gz DAWCYJZIXUKABF-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000357252287 536505306 /nfs/dbraw/zinc/50/53/06/536505306.db2.gz WFTCOHDGKGSKMZ-NSHDSACASA-N 2 1 257.378 -0.074 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](C)CC2)C1 ZINC000377959685 527734454 /nfs/dbraw/zinc/73/44/54/527734454.db2.gz QXQWEVOISVMBGS-LBPRGKRZSA-N 2 1 255.362 -0.129 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](C)CC2)C1 ZINC000377959685 527734457 /nfs/dbraw/zinc/73/44/57/527734457.db2.gz QXQWEVOISVMBGS-LBPRGKRZSA-N 2 1 255.362 -0.129 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000377959685 527734459 /nfs/dbraw/zinc/73/44/59/527734459.db2.gz QXQWEVOISVMBGS-LBPRGKRZSA-N 2 1 255.362 -0.129 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000377959685 527734461 /nfs/dbraw/zinc/73/44/61/527734461.db2.gz QXQWEVOISVMBGS-LBPRGKRZSA-N 2 1 255.362 -0.129 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000377292284 529279750 /nfs/dbraw/zinc/27/97/50/529279750.db2.gz QFTFEDSODFZKAO-ZDEQEGDKSA-N 2 1 285.388 -0.987 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000377292284 529279754 /nfs/dbraw/zinc/27/97/54/529279754.db2.gz QFTFEDSODFZKAO-ZDEQEGDKSA-N 2 1 285.388 -0.987 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000357939371 535259308 /nfs/dbraw/zinc/25/93/08/535259308.db2.gz ZIYYYVWMOKTMAR-XQQFMLRXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000128973730 582122821 /nfs/dbraw/zinc/12/28/21/582122821.db2.gz IXGATTNYYAFMCK-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP CNS(=O)(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000219302894 582128486 /nfs/dbraw/zinc/12/84/86/582128486.db2.gz MPXBFBLKRBCVFV-FGWVZKOKSA-N 2 1 261.391 -0.250 20 0 CBADMP CNS(=O)(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000219302894 582128488 /nfs/dbraw/zinc/12/84/88/582128488.db2.gz MPXBFBLKRBCVFV-FGWVZKOKSA-N 2 1 261.391 -0.250 20 0 CBADMP COCC[N@@H+](C)CCNC(=S)NCC[NH+](C)C ZINC000726907953 582139374 /nfs/dbraw/zinc/13/93/74/582139374.db2.gz RLVJUABIOMYLRE-UHFFFAOYSA-N 2 1 262.423 -0.410 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000731879314 582155015 /nfs/dbraw/zinc/15/50/15/582155015.db2.gz WVBNHVJMXYXMGB-KGLIPLIRSA-N 2 1 296.415 -0.787 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000731879314 582155016 /nfs/dbraw/zinc/15/50/16/582155016.db2.gz WVBNHVJMXYXMGB-KGLIPLIRSA-N 2 1 296.415 -0.787 20 0 CBADMP CN1CC[N@H+](C)C[C@H]1CNC(=S)NCC[NH+](C)C ZINC000731947559 582155848 /nfs/dbraw/zinc/15/58/48/582155848.db2.gz FOKFEIJERREYHS-LLVKDONJSA-N 2 1 273.450 -0.742 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=S)NCC[NH+](C)C ZINC000731947559 582155849 /nfs/dbraw/zinc/15/58/49/582155849.db2.gz FOKFEIJERREYHS-LLVKDONJSA-N 2 1 273.450 -0.742 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000736219650 582200651 /nfs/dbraw/zinc/20/06/51/582200651.db2.gz AHSXICPVHWSLLR-UONOGXRCSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000736219650 582200652 /nfs/dbraw/zinc/20/06/52/582200652.db2.gz AHSXICPVHWSLLR-UONOGXRCSA-N 2 1 281.400 -0.004 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC000763017554 582318912 /nfs/dbraw/zinc/31/89/12/582318912.db2.gz UEQICFFMZSULHC-GFCCVEGCSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1C ZINC000768849007 582334777 /nfs/dbraw/zinc/33/47/77/582334777.db2.gz ZWYDHRACLDFSFY-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1C ZINC000768849007 582334778 /nfs/dbraw/zinc/33/47/78/582334778.db2.gz ZWYDHRACLDFSFY-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000771659484 582341380 /nfs/dbraw/zinc/34/13/80/582341380.db2.gz LOXYZZPRZTWSBU-AWEZNQCLSA-N 2 1 299.415 -0.328 20 0 CBADMP C[C@H](CCO)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000779343816 582360910 /nfs/dbraw/zinc/36/09/10/582360910.db2.gz BPSGNNLOVNDLNJ-VXGBXAGGSA-N 2 1 257.378 -0.066 20 0 CBADMP CNC(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000779654128 582362284 /nfs/dbraw/zinc/36/22/84/582362284.db2.gz YOHSCTANRAOCPS-VIFPVBQESA-N 2 1 258.322 -0.660 20 0 CBADMP CNC(=O)CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000779654128 582362285 /nfs/dbraw/zinc/36/22/85/582362285.db2.gz YOHSCTANRAOCPS-VIFPVBQESA-N 2 1 258.322 -0.660 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2cn(C)nn2)C1 ZINC000779653898 582362345 /nfs/dbraw/zinc/36/23/45/582362345.db2.gz XYUIHVCYXXAVHX-LLVKDONJSA-N 2 1 282.348 -0.077 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2cn(C)nn2)C1 ZINC000779653898 582362346 /nfs/dbraw/zinc/36/23/46/582362346.db2.gz XYUIHVCYXXAVHX-LLVKDONJSA-N 2 1 282.348 -0.077 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC000782632281 582370140 /nfs/dbraw/zinc/37/01/40/582370140.db2.gz JBBDLJSQXQKCHO-DOMZBBRYSA-N 2 1 281.400 -0.099 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC000782632281 582370141 /nfs/dbraw/zinc/37/01/41/582370141.db2.gz JBBDLJSQXQKCHO-DOMZBBRYSA-N 2 1 281.400 -0.099 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[N@@H+]1CCCOCC1 ZINC000783849480 582372984 /nfs/dbraw/zinc/37/29/84/582372984.db2.gz KNRPYRCGFFNADS-UHFFFAOYSA-N 2 1 285.388 -0.453 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[N@H+]1CCCOCC1 ZINC000783849480 582372985 /nfs/dbraw/zinc/37/29/85/582372985.db2.gz KNRPYRCGFFNADS-UHFFFAOYSA-N 2 1 285.388 -0.453 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000783919017 582373132 /nfs/dbraw/zinc/37/31/32/582373132.db2.gz WSHLJMNXNLEOMV-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@@H]1CCC[NH+]1CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000783919017 582373133 /nfs/dbraw/zinc/37/31/33/582373133.db2.gz WSHLJMNXNLEOMV-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@@H]1CCC[NH+]1CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000783919017 582373134 /nfs/dbraw/zinc/37/31/34/582373134.db2.gz WSHLJMNXNLEOMV-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP NC(=O)C1=NO[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000789560946 582388742 /nfs/dbraw/zinc/38/87/42/582388742.db2.gz NWISKIYBHJYNNZ-AXFHLTTASA-N 2 1 266.345 -0.167 20 0 CBADMP NC(=O)C1=NO[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000789560946 582388743 /nfs/dbraw/zinc/38/87/43/582388743.db2.gz NWISKIYBHJYNNZ-AXFHLTTASA-N 2 1 266.345 -0.167 20 0 CBADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000796581449 582412023 /nfs/dbraw/zinc/41/20/23/582412023.db2.gz QGSCYFFHHIPUPY-WCQYABFASA-N 2 1 255.362 -0.360 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC[S@](C)=O ZINC000798197821 582414566 /nfs/dbraw/zinc/41/45/66/582414566.db2.gz VKHRLXAOHITBJK-KRWDZBQOSA-N 2 1 261.435 -0.066 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C[C@@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000800377144 582422553 /nfs/dbraw/zinc/42/25/53/582422553.db2.gz MYKVLANHVYWGJX-ILXRZTDVSA-N 2 1 285.432 -0.170 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C2(C(N)=O)CCCC2)CC1 ZINC000801524195 582424604 /nfs/dbraw/zinc/42/46/04/582424604.db2.gz FJBXBFAZZJXTLR-UHFFFAOYSA-N 2 1 282.388 -0.462 20 0 CBADMP CON(C)C(=O)CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818987196 582524411 /nfs/dbraw/zinc/52/44/11/582524411.db2.gz UTCKGWQWUYYCAN-RYUDHWBXSA-N 2 1 271.361 -0.151 20 0 CBADMP CON(C)C(=O)CC[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818987196 582524412 /nfs/dbraw/zinc/52/44/12/582524412.db2.gz UTCKGWQWUYYCAN-RYUDHWBXSA-N 2 1 271.361 -0.151 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000822119734 582627789 /nfs/dbraw/zinc/62/77/89/582627789.db2.gz SLWYFYGBYILZLL-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000822119734 582627790 /nfs/dbraw/zinc/62/77/90/582627790.db2.gz SLWYFYGBYILZLL-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000822724846 582645185 /nfs/dbraw/zinc/64/51/85/582645185.db2.gz ZEWKIPCLXJWHNH-CYBMUJFWSA-N 2 1 266.389 -0.412 20 0 CBADMP C[NH+]1CCC(OCC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000824298060 582692631 /nfs/dbraw/zinc/69/26/31/582692631.db2.gz PMINQMUFUMWUKM-QWHCGFSZSA-N 2 1 297.399 -0.625 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000824301579 582693124 /nfs/dbraw/zinc/69/31/24/582693124.db2.gz SNNGGPCSRANFJS-NWDGAFQWSA-N 2 1 253.346 -0.640 20 0 CBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@H]21 ZINC000827309801 582810774 /nfs/dbraw/zinc/81/07/74/582810774.db2.gz HYXKTFJUWQSRSR-UPJWGTAASA-N 2 1 267.373 -0.130 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@H]21 ZINC000827309801 582810775 /nfs/dbraw/zinc/81/07/75/582810775.db2.gz HYXKTFJUWQSRSR-UPJWGTAASA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@H]21 ZINC000827309801 582810776 /nfs/dbraw/zinc/81/07/76/582810776.db2.gz HYXKTFJUWQSRSR-UPJWGTAASA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@H]21 ZINC000827309801 582810777 /nfs/dbraw/zinc/81/07/77/582810777.db2.gz HYXKTFJUWQSRSR-UPJWGTAASA-N 2 1 267.373 -0.130 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000827474012 582817983 /nfs/dbraw/zinc/81/79/83/582817983.db2.gz NJQMIFMCLRMGGD-QWRGUYRKSA-N 2 1 271.361 -0.133 20 0 CBADMP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000827936806 582836200 /nfs/dbraw/zinc/83/62/00/582836200.db2.gz WGIAEIDUZIMEMO-HZSPNIEDSA-N 2 1 297.399 -0.266 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000828878026 582874814 /nfs/dbraw/zinc/87/48/14/582874814.db2.gz VXEBJYSMHZUYKV-WCQYABFASA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000828878024 582874835 /nfs/dbraw/zinc/87/48/35/582874835.db2.gz VXEBJYSMHZUYKV-DGCLKSJQSA-N 2 1 268.405 -0.134 20 0 CBADMP Cn1cnc(/C=C/C(=O)NCC[N@@H+](C)CCOCCO)c1 ZINC000829444324 582886857 /nfs/dbraw/zinc/88/68/57/582886857.db2.gz CVJINPSYXGUGQH-ONEGZZNKSA-N 2 1 296.371 -0.510 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC000830140456 582922299 /nfs/dbraw/zinc/92/22/99/582922299.db2.gz DNBJDRRPHBJFRQ-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP CCO[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH+](C)C ZINC000831745665 583000583 /nfs/dbraw/zinc/00/05/83/583000583.db2.gz UZIFZDSZPYLPMW-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP CCO[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH+](C)C ZINC000831745665 583000585 /nfs/dbraw/zinc/00/05/85/583000585.db2.gz UZIFZDSZPYLPMW-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP CCO[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH+](C)C ZINC000831745667 583000620 /nfs/dbraw/zinc/00/06/20/583000620.db2.gz UZIFZDSZPYLPMW-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP CCO[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH+](C)C ZINC000831745667 583000621 /nfs/dbraw/zinc/00/06/21/583000621.db2.gz UZIFZDSZPYLPMW-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000831971420 583009459 /nfs/dbraw/zinc/00/94/59/583009459.db2.gz XGJZNRSARQGUSJ-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP COC(=O)[C@@H]1CN(c2cc(C)[nH+]c(N)n2)CC[N@@H+](C)C1 ZINC000840359752 583164313 /nfs/dbraw/zinc/16/43/13/583164313.db2.gz JQXLZDWZPZIRPQ-JTQLQIEISA-N 2 1 279.344 -0.092 20 0 CBADMP C[C@@H]1CN(C(=S)NCC[NH+](C)C)C[C@H](C)[N@@H+]1CCO ZINC000840805553 583167945 /nfs/dbraw/zinc/16/79/45/583167945.db2.gz RNAWWASJCNVIOD-TXEJJXNPSA-N 2 1 288.461 -0.191 20 0 CBADMP C[C@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH2+]1 ZINC000841790810 583174387 /nfs/dbraw/zinc/17/43/87/583174387.db2.gz KLELBMHZCDBKRP-RWMBFGLXSA-N 2 1 282.388 -0.147 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000842260944 583182405 /nfs/dbraw/zinc/18/24/05/583182405.db2.gz XEAAMRGSJVRXLW-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP [NH3+]CCCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000843262772 583205478 /nfs/dbraw/zinc/20/54/78/583205478.db2.gz SXPFUXTXJOSVSY-LBPRGKRZSA-N 2 1 296.415 -0.025 20 0 CBADMP [NH3+]CCCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000843262771 583205502 /nfs/dbraw/zinc/20/55/02/583205502.db2.gz SXPFUXTXJOSVSY-GFCCVEGCSA-N 2 1 296.415 -0.025 20 0 CBADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCN1C(=O)CNC1=O ZINC000843361016 583212688 /nfs/dbraw/zinc/21/26/88/583212688.db2.gz QGZLDUJUSJANCB-FGWVZKOKSA-N 2 1 266.345 -0.118 20 0 CBADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCN1C(=O)CNC1=O ZINC000843361016 583212692 /nfs/dbraw/zinc/21/26/92/583212692.db2.gz QGZLDUJUSJANCB-FGWVZKOKSA-N 2 1 266.345 -0.118 20 0 CBADMP O=C(CO[C@@H]1CCC[NH2+]C1)NCC[N@H+]1CCCOCC1 ZINC000843495750 583229161 /nfs/dbraw/zinc/22/91/61/583229161.db2.gz QHTOVCSNPQRTMU-CYBMUJFWSA-N 2 1 285.388 -0.407 20 0 CBADMP O=C(CO[C@H]1CCC[NH2+]C1)NCCC[NH+]1CCOCC1 ZINC000844165699 583255132 /nfs/dbraw/zinc/25/51/32/583255132.db2.gz QSYIVQPQPHWLLT-ZDUSSCGKSA-N 2 1 285.388 -0.407 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844182473 583258987 /nfs/dbraw/zinc/25/89/87/583258987.db2.gz GFYFADISQGTBBR-OLZOCXBDSA-N 2 1 285.388 -0.408 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844185003 583259311 /nfs/dbraw/zinc/25/93/11/583259311.db2.gz BVWMBLROPBIFQK-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP CC[NH2+]CC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000844190824 583259844 /nfs/dbraw/zinc/25/98/44/583259844.db2.gz BLPSRSYASWSMNN-ZDUSSCGKSA-N 2 1 270.421 -0.014 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844192252 583259987 /nfs/dbraw/zinc/25/99/87/583259987.db2.gz WFTWBQWMKHJPQQ-CHWSQXEVSA-N 2 1 284.404 -0.883 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844192253 583260113 /nfs/dbraw/zinc/26/01/13/583260113.db2.gz WFTWBQWMKHJPQQ-OLZOCXBDSA-N 2 1 284.404 -0.883 20 0 CBADMP CN(C)C(=O)[C@@H]1C[N@@H+](CCCCCC[NH3+])CCN1 ZINC000846220307 583355995 /nfs/dbraw/zinc/35/59/95/583355995.db2.gz FLKNDXFHEWJVAT-LBPRGKRZSA-N 2 1 256.394 -0.133 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000846716616 583386109 /nfs/dbraw/zinc/38/61/09/583386109.db2.gz DFCVWIHDOANTRO-RYUDHWBXSA-N 2 1 256.394 -0.134 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](O)C(F)(F)F ZINC000848985102 583464125 /nfs/dbraw/zinc/46/41/25/583464125.db2.gz JGJNUPHIBVKTRY-VIFPVBQESA-N 2 1 298.309 -0.254 20 0 CBADMP CNC(=O)CCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000848994012 583465345 /nfs/dbraw/zinc/46/53/45/583465345.db2.gz GAGLGEYYZRLVAL-UHFFFAOYSA-N 2 1 285.392 -0.651 20 0 CBADMP CN1CCC[NH+]=C1NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000849000232 583465918 /nfs/dbraw/zinc/46/59/18/583465918.db2.gz KGRBVHBCZDWWQI-GFCCVEGCSA-N 2 1 281.404 -0.145 20 0 CBADMP COC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000849000517 583466354 /nfs/dbraw/zinc/46/63/54/583466354.db2.gz YWNMZYPRHUJWMW-NEPJUHHUSA-N 2 1 299.419 -0.277 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1(CO)CC1 ZINC000849004325 583466806 /nfs/dbraw/zinc/46/68/06/583466806.db2.gz KFYZRAQDFJHWKE-UHFFFAOYSA-N 2 1 270.377 -0.405 20 0 CBADMP COCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000849005430 583466951 /nfs/dbraw/zinc/46/69/51/583466951.db2.gz DWYYFWFODUNUGN-NSHDSACASA-N 2 1 258.366 -0.285 20 0 CBADMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000849008024 583467275 /nfs/dbraw/zinc/46/72/75/583467275.db2.gz MACVIOVGMKKKBJ-WDEREUQCSA-N 2 1 257.382 -0.619 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cn(C)nn1 ZINC000849017443 583468496 /nfs/dbraw/zinc/46/84/96/583468496.db2.gz HMNKRGUFZKRUHS-NSHDSACASA-N 2 1 265.365 -0.087 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1(CO)CCC1 ZINC000849018174 583468649 /nfs/dbraw/zinc/46/86/49/583468649.db2.gz DYUOUTHXGWMOCL-UHFFFAOYSA-N 2 1 284.404 -0.015 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cn(C)nn1 ZINC000849017442 583468667 /nfs/dbraw/zinc/46/86/67/583468667.db2.gz HMNKRGUFZKRUHS-LLVKDONJSA-N 2 1 265.365 -0.087 20 0 CBADMP CCn1ncnc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849025234 583469140 /nfs/dbraw/zinc/46/91/40/583469140.db2.gz VIONQQFYCWGWGT-UHFFFAOYSA-N 2 1 295.391 -0.366 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCCNC1=O ZINC000849040867 583471165 /nfs/dbraw/zinc/47/11/65/583471165.db2.gz DVXGWVYIBMLTJC-LBPRGKRZSA-N 2 1 297.403 -0.651 20 0 CBADMP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000851657141 583518173 /nfs/dbraw/zinc/51/81/73/583518173.db2.gz VJHOURZQFBZDAG-SBEAFCBVSA-N 2 1 294.399 -0.018 20 0 CBADMP CN(CCC[NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000851657290 583518224 /nfs/dbraw/zinc/51/82/24/583518224.db2.gz WOQGUCJMNWNSRM-NWDGAFQWSA-N 2 1 270.377 -0.160 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C(C)C ZINC000851690221 583522128 /nfs/dbraw/zinc/52/21/28/583522128.db2.gz BVUCYDSRTOCPNZ-UHFFFAOYSA-N 2 1 296.415 -0.299 20 0 CBADMP O=C(CC[N@H+]1CCC2=C(CCC(=O)N2)C1)N1CC[NH2+]CC1 ZINC000852754053 583551881 /nfs/dbraw/zinc/55/18/81/583551881.db2.gz NMRBOYCFCUUDDR-UHFFFAOYSA-N 2 1 292.383 -0.322 20 0 CBADMP O=C1OCCN1C1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000852761266 583552210 /nfs/dbraw/zinc/55/22/10/583552210.db2.gz SXZAAPVPSPTXOS-LBPRGKRZSA-N 2 1 269.345 -0.109 20 0 CBADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000852798095 583553296 /nfs/dbraw/zinc/55/32/96/583553296.db2.gz GASHCVJXDJGDIC-XQQFMLRXSA-N 2 1 285.388 -0.282 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852856288 583561467 /nfs/dbraw/zinc/56/14/67/583561467.db2.gz YBPBSOYJZBRNNP-NWDGAFQWSA-N 2 1 298.387 -0.437 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852864138 583563711 /nfs/dbraw/zinc/56/37/11/583563711.db2.gz XHBQVCFUPJGIET-NXEZZACHSA-N 2 1 254.334 -0.452 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)=NO1 ZINC000852864322 583563771 /nfs/dbraw/zinc/56/37/71/583563771.db2.gz SAGGFTDLMNKIMD-VWYCJHECSA-N 2 1 282.344 -0.931 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C2=NO[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000852868820 583564911 /nfs/dbraw/zinc/56/49/11/583564911.db2.gz VKXHEEYWWGLGEI-UTLUCORTSA-N 2 1 254.334 -0.311 20 0 CBADMP C[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)CN1CC[NH+](C)CC1 ZINC000852873124 583565579 /nfs/dbraw/zinc/56/55/79/583565579.db2.gz PNFNGXIJWBWYBA-RYUDHWBXSA-N 2 1 297.403 -0.910 20 0 CBADMP C[C@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)CN1CC[NH+](C)CC1 ZINC000852873126 583565658 /nfs/dbraw/zinc/56/56/58/583565658.db2.gz PNFNGXIJWBWYBA-VXGBXAGGSA-N 2 1 297.403 -0.910 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)=NO1 ZINC000852877971 583566342 /nfs/dbraw/zinc/56/63/42/583566342.db2.gz KQCHQMVKKBHNPY-AAEUAGOBSA-N 2 1 289.339 -0.342 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)=NO1 ZINC000852877973 583566421 /nfs/dbraw/zinc/56/64/21/583566421.db2.gz KQCHQMVKKBHNPY-WCQYABFASA-N 2 1 289.339 -0.342 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852914576 583574087 /nfs/dbraw/zinc/57/40/87/583574087.db2.gz BVSGMPWJFRSGOR-UWVGGRQHSA-N 2 1 254.334 -0.310 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000857102649 583664468 /nfs/dbraw/zinc/66/44/68/583664468.db2.gz ITNAMNFNJNQMGO-QJPTWQEYSA-N 2 1 270.377 -0.114 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000857102650 583664481 /nfs/dbraw/zinc/66/44/81/583664481.db2.gz ITNAMNFNJNQMGO-SDDRHHMPSA-N 2 1 270.377 -0.114 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000857110296 583665511 /nfs/dbraw/zinc/66/55/11/583665511.db2.gz ROFCAQCDCVRHCT-RYUDHWBXSA-N 2 1 272.393 -0.130 20 0 CBADMP Nc1nc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nc(N)[nH+]1 ZINC000858374638 583693424 /nfs/dbraw/zinc/69/34/24/583693424.db2.gz RFFWTAAPDJWTTI-YUMQZZPRSA-N 2 1 265.321 -0.689 20 0 CBADMP CCN(CC[NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861572685 583771065 /nfs/dbraw/zinc/77/10/65/583771065.db2.gz WOSYGROAOWBZCK-RYUDHWBXSA-N 2 1 270.377 -0.160 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861710311 583779916 /nfs/dbraw/zinc/77/99/16/583779916.db2.gz OJDSLFLNFVWIRW-KBPBESRZSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861710311 583779918 /nfs/dbraw/zinc/77/99/18/583779918.db2.gz OJDSLFLNFVWIRW-KBPBESRZSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861710320 583779946 /nfs/dbraw/zinc/77/99/46/583779946.db2.gz OJDSLFLNFVWIRW-UONOGXRCSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861710320 583779950 /nfs/dbraw/zinc/77/99/50/583779950.db2.gz OJDSLFLNFVWIRW-UONOGXRCSA-N 2 1 297.399 -0.624 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000861730034 583781652 /nfs/dbraw/zinc/78/16/52/583781652.db2.gz JTFJKHHKCTYPPP-MNOVXSKESA-N 2 1 296.371 -0.196 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000861753206 583784273 /nfs/dbraw/zinc/78/42/73/583784273.db2.gz VEGTXKJRNMVEOT-HBNTYKKESA-N 2 1 282.388 -0.467 20 0 CBADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861754987 583784580 /nfs/dbraw/zinc/78/45/80/583784580.db2.gz RGOAWEYAVOEJOJ-NSHDSACASA-N 2 1 295.387 -0.106 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1CC1 ZINC000861760080 583784809 /nfs/dbraw/zinc/78/48/09/583784809.db2.gz SUKJWDABDBGMMR-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000861763220 583785122 /nfs/dbraw/zinc/78/51/22/583785122.db2.gz MGEKIAYFUYGOKH-UWVGGRQHSA-N 2 1 270.377 -0.609 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861786717 583786640 /nfs/dbraw/zinc/78/66/40/583786640.db2.gz OSRARINWWITZBA-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+](CCCF)CC1 ZINC000862113673 583800290 /nfs/dbraw/zinc/80/02/90/583800290.db2.gz QSHRCALQNHFPGS-CQSZACIVSA-N 2 1 298.406 -0.120 20 0 CBADMP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CC[NH+](CCCF)CC1 ZINC000862113673 583800291 /nfs/dbraw/zinc/80/02/91/583800291.db2.gz QSHRCALQNHFPGS-CQSZACIVSA-N 2 1 298.406 -0.120 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549996 583846272 /nfs/dbraw/zinc/84/62/72/583846272.db2.gz WORXJBQRAHVRIE-TUAOUCFPSA-N 2 1 296.371 -0.493 20 0 CBADMP CS(=O)(=O)CCOCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000863551509 583846405 /nfs/dbraw/zinc/84/64/05/583846405.db2.gz GKCLAVVFJWNQMT-GFCCVEGCSA-N 2 1 294.417 -0.906 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000863750303 583852315 /nfs/dbraw/zinc/85/23/15/583852315.db2.gz LYIWVEWCSJYQKN-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000863750305 583852425 /nfs/dbraw/zinc/85/24/25/583852425.db2.gz LYIWVEWCSJYQKN-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863753259 583852852 /nfs/dbraw/zinc/85/28/52/583852852.db2.gz PSBSAQYMWWIXNA-LBPRGKRZSA-N 2 1 284.404 -0.408 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863761266 583854268 /nfs/dbraw/zinc/85/42/68/583854268.db2.gz VXQBNIHAYWQFHP-NEPJUHHUSA-N 2 1 284.404 -0.409 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863761266 583854270 /nfs/dbraw/zinc/85/42/70/583854270.db2.gz VXQBNIHAYWQFHP-NEPJUHHUSA-N 2 1 284.404 -0.409 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C[C@H]1C ZINC000863761133 583854402 /nfs/dbraw/zinc/85/44/02/583854402.db2.gz UCSFGHGYMXOSCR-TUAOUCFPSA-N 2 1 284.404 -0.267 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C[C@H]1C ZINC000863761133 583854404 /nfs/dbraw/zinc/85/44/04/583854404.db2.gz UCSFGHGYMXOSCR-TUAOUCFPSA-N 2 1 284.404 -0.267 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C[C@@H]1C ZINC000863761139 583854414 /nfs/dbraw/zinc/85/44/14/583854414.db2.gz UCSFGHGYMXOSCR-WOPDTQHZSA-N 2 1 284.404 -0.267 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C[C@@H]1C ZINC000863761139 583854415 /nfs/dbraw/zinc/85/44/15/583854415.db2.gz UCSFGHGYMXOSCR-WOPDTQHZSA-N 2 1 284.404 -0.267 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863763856 583854772 /nfs/dbraw/zinc/85/47/72/583854772.db2.gz KSAINMVXEQAKLO-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863767490 583855261 /nfs/dbraw/zinc/85/52/61/583855261.db2.gz QKYLSDTXRNSOQR-XQQFMLRXSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000863767099 583855269 /nfs/dbraw/zinc/85/52/69/583855269.db2.gz JMGSOSICHOVFAJ-JTQLQIEISA-N 2 1 270.377 -0.655 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863769080 583855469 /nfs/dbraw/zinc/85/54/69/583855469.db2.gz JBVMOYFVDVWIQH-NWDGAFQWSA-N 2 1 284.404 -0.267 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863773984 583855873 /nfs/dbraw/zinc/85/58/73/583855873.db2.gz NKQPAQOROGHQFZ-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP C[NH+](C)CCNC(=S)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865242918 583901177 /nfs/dbraw/zinc/90/11/77/583901177.db2.gz HTKKQTGURALFAP-NSHDSACASA-N 2 1 288.461 -0.143 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000866665379 583926437 /nfs/dbraw/zinc/92/64/37/583926437.db2.gz CLJFXAOVZHILOH-LBPRGKRZSA-N 2 1 250.350 -0.172 20 0 CBADMP Cn1nnnc1CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000866665379 583926439 /nfs/dbraw/zinc/92/64/39/583926439.db2.gz CLJFXAOVZHILOH-LBPRGKRZSA-N 2 1 250.350 -0.172 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)C[C@H]2C1=O ZINC000866701690 583927707 /nfs/dbraw/zinc/92/77/07/583927707.db2.gz MQCXXRDHPASIND-GARJFASQSA-N 2 1 251.330 -0.467 20 0 CBADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000866704540 583927819 /nfs/dbraw/zinc/92/78/19/583927819.db2.gz VSUDYVMUWOJWNE-XGUBFFRZSA-N 2 1 280.368 -0.655 20 0 CBADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000866704540 583927820 /nfs/dbraw/zinc/92/78/20/583927820.db2.gz VSUDYVMUWOJWNE-XGUBFFRZSA-N 2 1 280.368 -0.655 20 0 CBADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000866704495 583927846 /nfs/dbraw/zinc/92/78/46/583927846.db2.gz ODEWGSAUOPTSQM-HNNXBMFYSA-N 2 1 296.415 -0.358 20 0 CBADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000866704495 583927847 /nfs/dbraw/zinc/92/78/47/583927847.db2.gz ODEWGSAUOPTSQM-HNNXBMFYSA-N 2 1 296.415 -0.358 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000866714394 583928359 /nfs/dbraw/zinc/92/83/59/583928359.db2.gz NTHCLWFHBBUMGI-RWMBFGLXSA-N 2 1 291.355 -0.250 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)[C@@H]12 ZINC000866717461 583928641 /nfs/dbraw/zinc/92/86/41/583928641.db2.gz GFDSAXLPKUVQQE-CHWSQXEVSA-N 2 1 267.373 -0.035 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000866726326 583929141 /nfs/dbraw/zinc/92/91/41/583929141.db2.gz YSVSZZAWJYBBHK-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000867743682 583962042 /nfs/dbraw/zinc/96/20/42/583962042.db2.gz GMDSEDAWGHNGRZ-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC[C@@H]21 ZINC000868388587 583976837 /nfs/dbraw/zinc/97/68/37/583976837.db2.gz XVPRHDTUYGFABK-UPJWGTAASA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868388400 583976908 /nfs/dbraw/zinc/97/69/08/583976908.db2.gz SZXDDSJLMHUIMT-XQQFMLRXSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868390624 583977050 /nfs/dbraw/zinc/97/70/50/583977050.db2.gz NWIBLFYAZFOZNM-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868390991 583977132 /nfs/dbraw/zinc/97/71/32/583977132.db2.gz RLNWYNRRZCWTOR-GRYCIOLGSA-N 2 1 282.388 -0.655 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000869777563 584004028 /nfs/dbraw/zinc/00/40/28/584004028.db2.gz QITWVELIRUMFAC-RYUDHWBXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000869777563 584004030 /nfs/dbraw/zinc/00/40/30/584004030.db2.gz QITWVELIRUMFAC-RYUDHWBXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000869777563 584004031 /nfs/dbraw/zinc/00/40/31/584004031.db2.gz QITWVELIRUMFAC-RYUDHWBXSA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980908 584023802 /nfs/dbraw/zinc/02/38/02/584023802.db2.gz DSHGDHRCOLVZLF-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000870980631 584023910 /nfs/dbraw/zinc/02/39/10/584023910.db2.gz AAHUJWKTDVPIIU-GRYCIOLGSA-N 2 1 253.346 -0.473 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000870981245 584024023 /nfs/dbraw/zinc/02/40/23/584024023.db2.gz GTMYURWLSKUALF-JHJVBQTASA-N 2 1 267.373 -0.083 20 0 CBADMP COCCN(C)C(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000871607372 584043635 /nfs/dbraw/zinc/04/36/35/584043635.db2.gz DDKVNHDEUHOYIH-UHFFFAOYSA-N 2 1 258.366 -0.454 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872154194 584048303 /nfs/dbraw/zinc/04/83/03/584048303.db2.gz RKDRWZFFEMILCT-DZGCQCFKSA-N 2 1 280.416 -0.308 20 0 CBADMP CC(C)(O)C[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000872213636 584050538 /nfs/dbraw/zinc/05/05/38/584050538.db2.gz VFKUWCQKAPOJCA-RYUDHWBXSA-N 2 1 260.378 -0.445 20 0 CBADMP C[N@@H+](C[C@@H](O)CN[C@H]1CC[NH+](CC(C)(C)O)C1)C1CC1 ZINC000872217632 584050835 /nfs/dbraw/zinc/05/08/35/584050835.db2.gz BKZKVKBDGDALOD-JSGCOSHPSA-N 2 1 285.432 -0.124 20 0 CBADMP C[NH+](C[C@@H](O)CN[C@H]1CC[N@H+](CC(C)(C)O)C1)C1CC1 ZINC000872217632 584050836 /nfs/dbraw/zinc/05/08/36/584050836.db2.gz BKZKVKBDGDALOD-JSGCOSHPSA-N 2 1 285.432 -0.124 20 0 CBADMP C[NH+](C[C@@H](O)CN[C@H]1CC[N@@H+](CC(C)(C)O)C1)C1CC1 ZINC000872217632 584050837 /nfs/dbraw/zinc/05/08/37/584050837.db2.gz BKZKVKBDGDALOD-JSGCOSHPSA-N 2 1 285.432 -0.124 20 0 CBADMP [NH3+]CC1(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000872257864 584052412 /nfs/dbraw/zinc/05/24/12/584052412.db2.gz ZPJRGDOKAQWAOK-TUAOUCFPSA-N 3 1 280.372 -0.408 20 0 CBADMP [NH3+]CC1(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000872257864 584052413 /nfs/dbraw/zinc/05/24/13/584052413.db2.gz ZPJRGDOKAQWAOK-TUAOUCFPSA-N 3 1 280.372 -0.408 20 0 CBADMP Nc1cnc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cn1 ZINC000873210260 584068896 /nfs/dbraw/zinc/06/88/96/584068896.db2.gz AIHUIHFTVDGHPI-LBPRGKRZSA-N 2 1 262.361 -0.462 20 0 CBADMP C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)[C@@H]1CCC[NH2+]1 ZINC000873249395 584069212 /nfs/dbraw/zinc/06/92/12/584069212.db2.gz NCZXUZUMCQQXBU-MDZLAQPJSA-N 2 1 269.345 -0.062 20 0 CBADMP COC[C@@]1(C(=O)NCC[N@H+]2CCCC[C@@H]2C)C[NH2+]CCO1 ZINC000876722629 584140687 /nfs/dbraw/zinc/14/06/87/584140687.db2.gz AJLXYBULVMRABT-DZGCQCFKSA-N 2 1 299.415 -0.018 20 0 CBADMP COC[C@@]1(C(=O)NCC[N@H+]2CCC[C@H](C)C2)C[NH2+]CCO1 ZINC000876723173 584141124 /nfs/dbraw/zinc/14/11/24/584141124.db2.gz ORPMLUUUWVUIDE-DZGCQCFKSA-N 2 1 299.415 -0.161 20 0 CBADMP COC[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[NH2+]CCO1 ZINC000876729553 584141304 /nfs/dbraw/zinc/14/13/04/584141304.db2.gz QOGQBKKKGJVWTF-NFAWXSAZSA-N 2 1 297.399 -0.266 20 0 CBADMP COC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)C[NH2+]CCO1 ZINC000876733788 584141650 /nfs/dbraw/zinc/14/16/50/584141650.db2.gz HRUWFLMWDXHMLY-DZGCQCFKSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@H](CNC(=O)c1c(C[NH3+])cnn1C)C[NH+]1CCOCC1 ZINC000876747278 584142026 /nfs/dbraw/zinc/14/20/26/584142026.db2.gz ZSLDNQLILIIWJZ-LLVKDONJSA-N 2 1 295.387 -0.423 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876747223 584142038 /nfs/dbraw/zinc/14/20/38/584142038.db2.gz YMUQIAVHFUKIQS-CQSZACIVSA-N 2 1 287.404 -0.161 20 0 CBADMP CN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876753383 584142327 /nfs/dbraw/zinc/14/23/27/584142327.db2.gz DXLJTXVXMUZNAN-NEPJUHHUSA-N 2 1 254.378 -0.430 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876749625 584142470 /nfs/dbraw/zinc/14/24/70/584142470.db2.gz BHXHRVIRPGQWEX-RYUDHWBXSA-N 2 1 272.393 -0.898 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)n1C ZINC000876764294 584143331 /nfs/dbraw/zinc/14/33/31/584143331.db2.gz UMDQOZXUNFSLRX-IUCAKERBSA-N 2 1 287.314 -0.058 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)C[NH+](C)C)CC[N@H+]1C ZINC000876772701 584143607 /nfs/dbraw/zinc/14/36/07/584143607.db2.gz RAOXUJABDSDGCN-WOPDTQHZSA-N 2 1 256.394 -0.184 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C[N@H+]1C1CC1 ZINC000876779605 584144178 /nfs/dbraw/zinc/14/41/78/584144178.db2.gz AAYWCFINLRDBQS-FOGDFJRCSA-N 2 1 254.378 -0.383 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C[N@H+]1C1CC1 ZINC000876779607 584144309 /nfs/dbraw/zinc/14/43/09/584144309.db2.gz AAYWCFINLRDBQS-SCVCMEIPSA-N 2 1 254.378 -0.383 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000876885256 584153346 /nfs/dbraw/zinc/15/33/46/584153346.db2.gz KNAFNLSOYJOJIO-RWMBFGLXSA-N 2 1 268.405 -0.182 20 0 CBADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000876973389 584159273 /nfs/dbraw/zinc/15/92/73/584159273.db2.gz ZIOLVOZSEBACRZ-CLLWAYQCSA-N 2 1 292.427 -0.096 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC[C@H]21 ZINC000877251115 584172890 /nfs/dbraw/zinc/17/28/90/584172890.db2.gz YOSYHDGZOOWJQG-NNYUYHANSA-N 2 1 253.346 -0.345 20 0 CBADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877450823 584182394 /nfs/dbraw/zinc/18/23/94/584182394.db2.gz GDUALWWLFOFSFZ-XFMPKHEZSA-N 2 1 279.384 -0.083 20 0 CBADMP CC(C)[N@@H+](CCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000877987880 584189687 /nfs/dbraw/zinc/18/96/87/584189687.db2.gz VRLMNTJVNLZUGO-UHFFFAOYSA-N 2 1 257.378 -0.101 20 0 CBADMP COCC[N@H+](CCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000878040726 584191115 /nfs/dbraw/zinc/19/11/15/584191115.db2.gz MTJKOPLIGZPOJM-UHFFFAOYSA-N 2 1 273.377 -0.863 20 0 CBADMP COCC[N@@H+](CCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000878040726 584191117 /nfs/dbraw/zinc/19/11/17/584191117.db2.gz MTJKOPLIGZPOJM-UHFFFAOYSA-N 2 1 273.377 -0.863 20 0 CBADMP C[N@H+](CCN1CCOCC1)CC(=O)NC1CC[NH+](C)CC1 ZINC000878048643 584191306 /nfs/dbraw/zinc/19/13/06/584191306.db2.gz UQVSBBFULUKTPU-UHFFFAOYSA-N 2 1 298.431 -0.539 20 0 CBADMP C[N@@H+](CCN1CCOCC1)CC(=O)NC1CC[NH+](C)CC1 ZINC000878048643 584191307 /nfs/dbraw/zinc/19/13/07/584191307.db2.gz UQVSBBFULUKTPU-UHFFFAOYSA-N 2 1 298.431 -0.539 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](OCCO)C2)CC1 ZINC000878109600 584193404 /nfs/dbraw/zinc/19/34/04/584193404.db2.gz TVBHAPPPLLDJNR-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](OCCO)C2)CC1 ZINC000878109600 584193407 /nfs/dbraw/zinc/19/34/07/584193407.db2.gz TVBHAPPPLLDJNR-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H](O)C1CC1 ZINC000878175278 584194961 /nfs/dbraw/zinc/19/49/61/584194961.db2.gz ODOQPCVCKSBLQS-CYBMUJFWSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCn1cnnn1 ZINC000878288430 584198296 /nfs/dbraw/zinc/19/82/96/584198296.db2.gz WQDGSPUFQRABHM-AGIUHOORSA-N 2 1 280.376 -0.143 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCn1cnnn1 ZINC000878288430 584198298 /nfs/dbraw/zinc/19/82/98/584198298.db2.gz WQDGSPUFQRABHM-AGIUHOORSA-N 2 1 280.376 -0.143 20 0 CBADMP C[C@H](O)C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H](C)CO ZINC000878486859 584205301 /nfs/dbraw/zinc/20/53/01/584205301.db2.gz ISNZMIKXXBVVDQ-RYUDHWBXSA-N 2 1 287.404 -0.740 20 0 CBADMP CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878548656 584207963 /nfs/dbraw/zinc/20/79/63/584207963.db2.gz ZVJOVVNPTNIENA-HNNXBMFYSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+](CCOCCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000878561028 584208642 /nfs/dbraw/zinc/20/86/42/584208642.db2.gz IPPHMFJKXTXFQM-UHFFFAOYSA-N 2 1 273.377 -0.863 20 0 CBADMP C[N@@H+](CCOCCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000878561028 584208645 /nfs/dbraw/zinc/20/86/45/584208645.db2.gz IPPHMFJKXTXFQM-UHFFFAOYSA-N 2 1 273.377 -0.863 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H]1C ZINC000878744796 584216084 /nfs/dbraw/zinc/21/60/84/584216084.db2.gz PHESVHOFCQZGAK-DGCLKSJQSA-N 2 1 297.399 -0.062 20 0 CBADMP CON(C)C(=O)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865582 584219456 /nfs/dbraw/zinc/21/94/56/584219456.db2.gz KYMMIFWTLLTSAR-CYBMUJFWSA-N 2 1 273.377 -0.215 20 0 CBADMP CON(C)C(=O)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865582 584219458 /nfs/dbraw/zinc/21/94/58/584219458.db2.gz KYMMIFWTLLTSAR-CYBMUJFWSA-N 2 1 273.377 -0.215 20 0 CBADMP C[C@]12C[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@@]1(C)C(=O)NC2=O ZINC000879158778 584228833 /nfs/dbraw/zinc/22/88/33/584228833.db2.gz XYMIGOJLEQIXIK-TUKIKUTGSA-N 2 1 295.383 -0.572 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879570996 584240731 /nfs/dbraw/zinc/24/07/31/584240731.db2.gz LBVHPACNYURCNZ-MNOVXSKESA-N 2 1 268.361 -0.142 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879570996 584240732 /nfs/dbraw/zinc/24/07/32/584240732.db2.gz LBVHPACNYURCNZ-MNOVXSKESA-N 2 1 268.361 -0.142 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879570996 584240734 /nfs/dbraw/zinc/24/07/34/584240734.db2.gz LBVHPACNYURCNZ-MNOVXSKESA-N 2 1 268.361 -0.142 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879570996 584240736 /nfs/dbraw/zinc/24/07/36/584240736.db2.gz LBVHPACNYURCNZ-MNOVXSKESA-N 2 1 268.361 -0.142 20 0 CBADMP C[N@@H+]1CC[C@H]2C[NH+](CCCS(N)(=O)=O)CC[C@@H]21 ZINC000879573061 584241210 /nfs/dbraw/zinc/24/12/10/584241210.db2.gz LPCURDLVENJPRK-QWRGUYRKSA-N 2 1 261.391 -0.309 20 0 CBADMP C[N@H+]1CC[C@H]2C[NH+](CCCS(N)(=O)=O)CC[C@@H]21 ZINC000879573061 584241213 /nfs/dbraw/zinc/24/12/13/584241213.db2.gz LPCURDLVENJPRK-QWRGUYRKSA-N 2 1 261.391 -0.309 20 0 CBADMP C[NH+]1CC[C@H]2C[N@H+](CCCS(N)(=O)=O)CC[C@@H]21 ZINC000879573061 584241215 /nfs/dbraw/zinc/24/12/15/584241215.db2.gz LPCURDLVENJPRK-QWRGUYRKSA-N 2 1 261.391 -0.309 20 0 CBADMP C[NH+]1CC[C@H]2C[N@@H+](CCCS(N)(=O)=O)CC[C@@H]21 ZINC000879573061 584241218 /nfs/dbraw/zinc/24/12/18/584241218.db2.gz LPCURDLVENJPRK-QWRGUYRKSA-N 2 1 261.391 -0.309 20 0 CBADMP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879581589 584241968 /nfs/dbraw/zinc/24/19/68/584241968.db2.gz MNYAFRBWZIICNG-NQBHXWOUSA-N 2 1 256.346 -0.064 20 0 CBADMP COC(=O)[C@](C)(O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879581589 584241970 /nfs/dbraw/zinc/24/19/70/584241970.db2.gz MNYAFRBWZIICNG-NQBHXWOUSA-N 2 1 256.346 -0.064 20 0 CBADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879581589 584241971 /nfs/dbraw/zinc/24/19/71/584241971.db2.gz MNYAFRBWZIICNG-NQBHXWOUSA-N 2 1 256.346 -0.064 20 0 CBADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879581589 584241974 /nfs/dbraw/zinc/24/19/74/584241974.db2.gz MNYAFRBWZIICNG-NQBHXWOUSA-N 2 1 256.346 -0.064 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC000880073133 584261365 /nfs/dbraw/zinc/26/13/65/584261365.db2.gz SYKFLKFHQVJHSS-RRFJBIMHSA-N 2 1 285.432 -0.172 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880073133 584261367 /nfs/dbraw/zinc/26/13/67/584261367.db2.gz SYKFLKFHQVJHSS-RRFJBIMHSA-N 2 1 285.432 -0.172 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880073133 584261369 /nfs/dbraw/zinc/26/13/69/584261369.db2.gz SYKFLKFHQVJHSS-RRFJBIMHSA-N 2 1 285.432 -0.172 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ncncc3C2)CC1 ZINC000880597337 584283805 /nfs/dbraw/zinc/28/38/05/584283805.db2.gz TWZXNTWTJBVNNO-UHFFFAOYSA-N 2 1 289.383 -0.001 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3ncncc3C2)CC1 ZINC000880597337 584283806 /nfs/dbraw/zinc/28/38/06/584283806.db2.gz TWZXNTWTJBVNNO-UHFFFAOYSA-N 2 1 289.383 -0.001 20 0 CBADMP CN(C)c1nccc(NCC[N@@H+](C)CCOCCO)n1 ZINC000882951831 584334652 /nfs/dbraw/zinc/33/46/52/584334652.db2.gz WSJHZKMDQZVPIZ-UHFFFAOYSA-N 2 1 283.376 -0.105 20 0 CBADMP CN(C)c1nc(NCC[N@@H+](C)CCOCCO)cc[nH+]1 ZINC000882951831 584334657 /nfs/dbraw/zinc/33/46/57/584334657.db2.gz WSJHZKMDQZVPIZ-UHFFFAOYSA-N 2 1 283.376 -0.105 20 0 CBADMP C[C@@H]1C[C@H](NCC[NH+](C)CCOCCO)CC[N@H+]1C ZINC000883349572 584340308 /nfs/dbraw/zinc/34/03/08/584340308.db2.gz GCUYZOORXKLSRS-ZIAGYGMSSA-N 2 1 273.421 -0.001 20 0 CBADMP C[C@@H]1C[C@H](NCC[N@H+](C)CCOCCO)CC[NH+]1C ZINC000883349572 584340310 /nfs/dbraw/zinc/34/03/10/584340310.db2.gz GCUYZOORXKLSRS-ZIAGYGMSSA-N 2 1 273.421 -0.001 20 0 CBADMP C[C@@H]1C[C@H](NCC[N@@H+](C)CCOCCO)CC[NH+]1C ZINC000883349572 584340313 /nfs/dbraw/zinc/34/03/13/584340313.db2.gz GCUYZOORXKLSRS-ZIAGYGMSSA-N 2 1 273.421 -0.001 20 0 CBADMP c1nnnn1CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000883429379 584341962 /nfs/dbraw/zinc/34/19/62/584341962.db2.gz TVISYXPPQNLZCJ-NWDGAFQWSA-N 2 1 250.350 -0.005 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCC2(CCOCC2)O1 ZINC000883430003 584342031 /nfs/dbraw/zinc/34/20/31/584342031.db2.gz LEBKCWGOEWTIDH-RYUDHWBXSA-N 2 1 258.362 -0.034 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCC2(CCOCC2)O1 ZINC000883430003 584342034 /nfs/dbraw/zinc/34/20/34/584342034.db2.gz LEBKCWGOEWTIDH-RYUDHWBXSA-N 2 1 258.362 -0.034 20 0 CBADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCn3cnnn3)C2)C1 ZINC000883434725 584342333 /nfs/dbraw/zinc/34/23/33/584342333.db2.gz ZMFCTHUOAMFCOY-UPJWGTAASA-N 2 1 280.376 -0.109 20 0 CBADMP C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)CCO1 ZINC000883442955 584342950 /nfs/dbraw/zinc/34/29/50/584342950.db2.gz WQCFVKQIYVBCIZ-MXWKQRLJSA-N 2 1 255.362 -0.051 20 0 CBADMP CO[C@@H]1COCC[C@@H]1[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000883461592 584343307 /nfs/dbraw/zinc/34/33/07/584343307.db2.gz YIETWJAGTJZHGO-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000884180296 584364513 /nfs/dbraw/zinc/36/45/13/584364513.db2.gz SQZZNFHFULABBT-QWHCGFSZSA-N 2 1 287.404 -0.177 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000884206310 584366939 /nfs/dbraw/zinc/36/69/39/584366939.db2.gz RKWHKOJGIXNPNB-VXGBXAGGSA-N 2 1 273.377 -0.565 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884218719 584368207 /nfs/dbraw/zinc/36/82/07/584368207.db2.gz WROXQIYXBJZJPF-ZDUSSCGKSA-N 2 1 296.415 -0.217 20 0 CBADMP [NH3+][C@H](CC1CC1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000884319934 584373988 /nfs/dbraw/zinc/37/39/88/584373988.db2.gz HDQABQCZVJHQBS-GFCCVEGCSA-N 2 1 255.362 -0.048 20 0 CBADMP [NH3+][C@H](CC1CC1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000884319934 584373991 /nfs/dbraw/zinc/37/39/91/584373991.db2.gz HDQABQCZVJHQBS-GFCCVEGCSA-N 2 1 255.362 -0.048 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884390022 584378281 /nfs/dbraw/zinc/37/82/81/584378281.db2.gz LZFFODUXCVGKRT-YFKTTZPYSA-N 2 1 273.377 -0.426 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884390022 584378283 /nfs/dbraw/zinc/37/82/83/584378283.db2.gz LZFFODUXCVGKRT-YFKTTZPYSA-N 2 1 273.377 -0.426 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884508507 584385754 /nfs/dbraw/zinc/38/57/54/584385754.db2.gz GTVCNCAIOURJCP-JQWIXIFHSA-N 2 1 293.371 -0.354 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884545487 584387286 /nfs/dbraw/zinc/38/72/86/584387286.db2.gz JCPORPKGBJSIPH-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884545489 584387377 /nfs/dbraw/zinc/38/73/77/584387377.db2.gz JCPORPKGBJSIPH-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884553822 584387772 /nfs/dbraw/zinc/38/77/72/584387772.db2.gz HXYVGASWNRXWGS-UKJIMTQDSA-N 2 1 292.383 -0.842 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000884554384 584387857 /nfs/dbraw/zinc/38/78/57/584387857.db2.gz SGKDNFLTVJMFTJ-QWRGUYRKSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000884577191 584388755 /nfs/dbraw/zinc/38/87/55/584388755.db2.gz ZHVOOZYHUPBKCV-AGIUHOORSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCCC(C)(C)[NH3+])C1CC1 ZINC000884601590 584389641 /nfs/dbraw/zinc/38/96/41/584389641.db2.gz QALQGLGVGNMGDI-UHFFFAOYSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)C1CC1 ZINC000884601529 584389697 /nfs/dbraw/zinc/38/96/97/584389697.db2.gz NYNHXTGTZMNQIR-WDEREUQCSA-N 2 1 282.388 -0.465 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884601484 584389723 /nfs/dbraw/zinc/38/97/23/584389723.db2.gz MLSZHNFCPNOPJI-FRRDWIJNSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[N@@H+](C)C1CC1 ZINC000884616902 584391065 /nfs/dbraw/zinc/39/10/65/584391065.db2.gz DTVJRCJEWNCXGV-OUAUKWLOSA-N 2 1 282.388 -0.467 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000884617521 584391225 /nfs/dbraw/zinc/39/12/25/584391225.db2.gz NKSUEWPVQLEXRL-IJLUTSLNSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1=CC[N@@H+](C)CC1 ZINC000884623800 584391409 /nfs/dbraw/zinc/39/14/09/584391409.db2.gz PACYOCKNHNFHIT-DGCLKSJQSA-N 2 1 294.399 -0.297 20 0 CBADMP CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884626858 584391787 /nfs/dbraw/zinc/39/17/87/584391787.db2.gz XIJUPJJOLVKGPO-VXGBXAGGSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000884631560 584392334 /nfs/dbraw/zinc/39/23/34/584392334.db2.gz OFOGQMHFXNIJRJ-RTXFEEFZSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884669903 584393731 /nfs/dbraw/zinc/39/37/31/584393731.db2.gz JUDHHXIXIYWKMH-YVECIDJPSA-N 2 1 294.399 -0.323 20 0 CBADMP CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884669693 584393772 /nfs/dbraw/zinc/39/37/72/584393772.db2.gz DFHUGBXOAHSSKL-NWDGAFQWSA-N 2 1 296.415 -0.027 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCC[NH3+])CC[C@H]21 ZINC000884672997 584394201 /nfs/dbraw/zinc/39/42/01/584394201.db2.gz JVMVOKLJVBKAJD-GHMZBOCLSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1(C)C ZINC000884676290 584394948 /nfs/dbraw/zinc/39/49/48/584394948.db2.gz ILMROMXPHLHMMO-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1(C)C ZINC000884676290 584394950 /nfs/dbraw/zinc/39/49/50/584394950.db2.gz ILMROMXPHLHMMO-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000884680977 584395638 /nfs/dbraw/zinc/39/56/38/584395638.db2.gz IBNNKIWBPGAZSG-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000884680977 584395641 /nfs/dbraw/zinc/39/56/41/584395641.db2.gz IBNNKIWBPGAZSG-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884684781 584395870 /nfs/dbraw/zinc/39/58/70/584395870.db2.gz PIFSZRLJVUXVOL-HBNTYKKESA-N 2 1 268.361 -0.998 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884685035 584396180 /nfs/dbraw/zinc/39/61/80/584396180.db2.gz VUCSYTDMEHQQID-SECBINFHSA-N 2 1 256.350 -0.998 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884685035 584396181 /nfs/dbraw/zinc/39/61/81/584396181.db2.gz VUCSYTDMEHQQID-SECBINFHSA-N 2 1 256.350 -0.998 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1(C)C ZINC000884688305 584396825 /nfs/dbraw/zinc/39/68/25/584396825.db2.gz YIGVTDNPPDKRSC-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1(C)C ZINC000884688305 584396826 /nfs/dbraw/zinc/39/68/26/584396826.db2.gz YIGVTDNPPDKRSC-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1(C)C ZINC000884691783 584397587 /nfs/dbraw/zinc/39/75/87/584397587.db2.gz RVALOJGUDPNZIP-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1(C)C ZINC000884691783 584397588 /nfs/dbraw/zinc/39/75/88/584397588.db2.gz RVALOJGUDPNZIP-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884697980 584398388 /nfs/dbraw/zinc/39/83/88/584398388.db2.gz HWACFZFNNQXQHB-IJLUTSLNSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000884697886 584398414 /nfs/dbraw/zinc/39/84/14/584398414.db2.gz GIIKVHRNXUYBNE-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CCC3)CC[C@H]21 ZINC000884715585 584400128 /nfs/dbraw/zinc/40/01/28/584400128.db2.gz YGGZGHZPBYGAFQ-VXGBXAGGSA-N 2 1 294.399 -0.463 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1(C)C ZINC000884721890 584400475 /nfs/dbraw/zinc/40/04/75/584400475.db2.gz XUQOMMVXJKEPPK-UHFFFAOYSA-N 2 1 294.399 -0.425 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1(C)C ZINC000884721890 584400478 /nfs/dbraw/zinc/40/04/78/584400478.db2.gz XUQOMMVXJKEPPK-UHFFFAOYSA-N 2 1 294.399 -0.425 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884723002 584400824 /nfs/dbraw/zinc/40/08/24/584400824.db2.gz UFAVEBHRTYVPOF-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000884796250 584402527 /nfs/dbraw/zinc/40/25/27/584402527.db2.gz FCHZQGDAYSJEMF-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)([NH3+])CCNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000885196815 584409657 /nfs/dbraw/zinc/40/96/57/584409657.db2.gz LOCKRBZOQZMWQI-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000885872954 584429074 /nfs/dbraw/zinc/42/90/74/584429074.db2.gz NALQDRBQJUAIIB-KBPBESRZSA-N 2 1 297.399 -0.314 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000885872954 584429075 /nfs/dbraw/zinc/42/90/75/584429075.db2.gz NALQDRBQJUAIIB-KBPBESRZSA-N 2 1 297.399 -0.314 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000885872954 584429077 /nfs/dbraw/zinc/42/90/77/584429077.db2.gz NALQDRBQJUAIIB-KBPBESRZSA-N 2 1 297.399 -0.314 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000885872954 584429079 /nfs/dbraw/zinc/42/90/79/584429079.db2.gz NALQDRBQJUAIIB-KBPBESRZSA-N 2 1 297.399 -0.314 20 0 CBADMP CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000887068024 584461193 /nfs/dbraw/zinc/46/11/93/584461193.db2.gz DMDBOBMDGHLDSG-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)Cn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887451200 584468134 /nfs/dbraw/zinc/46/81/34/584468134.db2.gz IXRLIZNRPJISKH-GXTWGEPZSA-N 2 1 296.419 -0.486 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)Cn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887451203 584468171 /nfs/dbraw/zinc/46/81/71/584468171.db2.gz IXRLIZNRPJISKH-TZMCWYRMSA-N 2 1 296.419 -0.486 20 0 CBADMP 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 584477122 /nfs/dbraw/zinc/47/71/22/584477122.db2.gz LXAZXOOBFCIXST-PAPYEOQZSA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@@H]2CN(C(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)C[C@]2(C)C1 ZINC000887923057 584477124 /nfs/dbraw/zinc/47/71/24/584477124.db2.gz LXAZXOOBFCIXST-PAPYEOQZSA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@@H]2CN(C(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)C[C@]2(C)C1 ZINC000887923057 584477125 /nfs/dbraw/zinc/47/71/25/584477125.db2.gz LXAZXOOBFCIXST-PAPYEOQZSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)[NH+](C)C ZINC000889744158 584534714 /nfs/dbraw/zinc/53/47/14/584534714.db2.gz KPDBETSABZAPMX-FRRDWIJNSA-N 2 1 269.389 -0.006 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000889754860 584535480 /nfs/dbraw/zinc/53/54/80/584535480.db2.gz GQKSZMVKNXMDJU-IHRRRGAJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000889754860 584535481 /nfs/dbraw/zinc/53/54/81/584535481.db2.gz GQKSZMVKNXMDJU-IHRRRGAJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000889754860 584535482 /nfs/dbraw/zinc/53/54/82/584535482.db2.gz GQKSZMVKNXMDJU-IHRRRGAJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000889754863 584535599 /nfs/dbraw/zinc/53/55/99/584535599.db2.gz GQKSZMVKNXMDJU-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000889754863 584535601 /nfs/dbraw/zinc/53/56/01/584535601.db2.gz GQKSZMVKNXMDJU-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000889754863 584535603 /nfs/dbraw/zinc/53/56/03/584535603.db2.gz GQKSZMVKNXMDJU-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000890059463 584540064 /nfs/dbraw/zinc/54/00/64/584540064.db2.gz IBQZWXRALFDVIM-STQMWFEESA-N 2 1 284.404 -0.211 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000890059463 584540066 /nfs/dbraw/zinc/54/00/66/584540066.db2.gz IBQZWXRALFDVIM-STQMWFEESA-N 2 1 284.404 -0.211 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000890059463 584540068 /nfs/dbraw/zinc/54/00/68/584540068.db2.gz IBQZWXRALFDVIM-STQMWFEESA-N 2 1 284.404 -0.211 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000890059463 584540070 /nfs/dbraw/zinc/54/00/70/584540070.db2.gz IBQZWXRALFDVIM-STQMWFEESA-N 2 1 284.404 -0.211 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891492077 584582515 /nfs/dbraw/zinc/58/25/15/584582515.db2.gz DOMPQSMIZXFWSQ-XYPYZODXSA-N 2 1 258.366 -0.399 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NCCC(C)(C)[NH3+] ZINC000891493225 584582604 /nfs/dbraw/zinc/58/26/04/584582604.db2.gz OPCOJKVDCKDTCS-UHFFFAOYSA-N 2 1 260.382 -0.009 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000891513945 584583526 /nfs/dbraw/zinc/58/35/26/584583526.db2.gz KHPDEANIMLUKMJ-QNWHQSFQSA-N 2 1 282.388 -0.114 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000891514653 584583567 /nfs/dbraw/zinc/58/35/67/584583567.db2.gz WDVKOUHNKADCON-UPJWGTAASA-N 2 1 282.388 -0.018 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891540674 584584851 /nfs/dbraw/zinc/58/48/51/584584851.db2.gz XEDHJFLPROPKCT-HZSPNIEDSA-N 2 1 295.431 -0.232 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891540677 584584869 /nfs/dbraw/zinc/58/48/69/584584869.db2.gz XEDHJFLPROPKCT-RDBSUJKOSA-N 2 1 295.431 -0.232 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891539446 584584918 /nfs/dbraw/zinc/58/49/18/584584918.db2.gz ARPQQDPCBZYARR-VNHYZAJKSA-N 2 1 295.431 -0.184 20 0 CBADMP C[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000891698977 584590582 /nfs/dbraw/zinc/59/05/82/584590582.db2.gz WFIFVZKEBPDUDR-UTUOFQBUSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000891698977 584590585 /nfs/dbraw/zinc/59/05/85/584590585.db2.gz WFIFVZKEBPDUDR-UTUOFQBUSA-N 2 1 270.377 -0.162 20 0 CBADMP CNC(=O)C[NH+]1CCC(Nc2nc(N)cc(C)[nH+]2)CC1 ZINC000891768217 584592187 /nfs/dbraw/zinc/59/21/87/584592187.db2.gz SDSJVISFWGJWKV-UHFFFAOYSA-N 2 1 278.360 -0.010 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC2CC[NH2+]CC2)C1 ZINC000891958663 584595558 /nfs/dbraw/zinc/59/55/58/584595558.db2.gz LKUUMTJOFZKNHX-LBPRGKRZSA-N 2 1 284.404 -0.117 20 0 CBADMP C[N@H+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1(C)C ZINC000891970478 584595991 /nfs/dbraw/zinc/59/59/91/584595991.db2.gz KZVDDFGHJAVWPE-UHFFFAOYSA-N 2 1 297.403 -0.846 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)NCCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000891972841 584596580 /nfs/dbraw/zinc/59/65/80/584596580.db2.gz LUYOQQSFSHBLCS-KBPBESRZSA-N 2 1 295.431 -0.373 20 0 CBADMP [NH3+]CCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000891976668 584596884 /nfs/dbraw/zinc/59/68/84/584596884.db2.gz GQXMPEHLXRZPSG-CYBMUJFWSA-N 2 1 299.419 -0.959 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000892003878 584598604 /nfs/dbraw/zinc/59/86/04/584598604.db2.gz ZCHJKPTYNDGWOX-MNOVXSKESA-N 2 1 270.377 -0.507 20 0 CBADMP C[NH2+]CCOCCNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000892282042 584612061 /nfs/dbraw/zinc/61/20/61/584612061.db2.gz KCEVUARZJJRBDO-QWHCGFSZSA-N 2 1 284.404 -0.042 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000892565820 584619003 /nfs/dbraw/zinc/61/90/03/584619003.db2.gz LKSHDZLUWLWHAE-SRVKXCTJSA-N 2 1 284.404 -0.132 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000892570538 584619199 /nfs/dbraw/zinc/61/91/99/584619199.db2.gz PWIRSMWGCQYAPT-RNJOBUHISA-N 2 1 284.404 -0.180 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892586589 584620138 /nfs/dbraw/zinc/62/01/38/584620138.db2.gz VKAULQIGOXSCEJ-CRWXNKLISA-N 2 1 296.415 -0.117 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000892686876 584622731 /nfs/dbraw/zinc/62/27/31/584622731.db2.gz DZBMVKSPOUIUFX-QWHCGFSZSA-N 2 1 284.404 -0.090 20 0 CBADMP COCC[NH+](C)CCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000892686876 584622733 /nfs/dbraw/zinc/62/27/33/584622733.db2.gz DZBMVKSPOUIUFX-QWHCGFSZSA-N 2 1 284.404 -0.090 20 0 CBADMP COCC[NH+](C)CCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000892686876 584622735 /nfs/dbraw/zinc/62/27/35/584622735.db2.gz DZBMVKSPOUIUFX-QWHCGFSZSA-N 2 1 284.404 -0.090 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000892686877 584622823 /nfs/dbraw/zinc/62/28/23/584622823.db2.gz DZBMVKSPOUIUFX-STQMWFEESA-N 2 1 284.404 -0.090 20 0 CBADMP COCC[NH+](C)CCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000892686877 584622824 /nfs/dbraw/zinc/62/28/24/584622824.db2.gz DZBMVKSPOUIUFX-STQMWFEESA-N 2 1 284.404 -0.090 20 0 CBADMP COCC[NH+](C)CCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000892686877 584622825 /nfs/dbraw/zinc/62/28/25/584622825.db2.gz DZBMVKSPOUIUFX-STQMWFEESA-N 2 1 284.404 -0.090 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCC(C)(C)[NH3+] ZINC000892849883 584628215 /nfs/dbraw/zinc/62/82/15/584628215.db2.gz HLEFYWQTIRXJGX-NSHDSACASA-N 2 1 272.393 -0.178 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCC(C)(C)[NH3+] ZINC000892849883 584628216 /nfs/dbraw/zinc/62/82/16/584628216.db2.gz HLEFYWQTIRXJGX-NSHDSACASA-N 2 1 272.393 -0.178 20 0 CBADMP C[NH+](C)CCOCCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000894366648 584656692 /nfs/dbraw/zinc/65/66/92/584656692.db2.gz MVQCWXXZNLCBRK-CHWSQXEVSA-N 2 1 284.404 -0.090 20 0 CBADMP Cc1cc(N)nc(NCC[N@@H+](C)CCOCCO)[nH+]1 ZINC000895156524 584672156 /nfs/dbraw/zinc/67/21/56/584672156.db2.gz XUDSELYLTWCSCZ-UHFFFAOYSA-N 2 1 269.349 -0.280 20 0 CBADMP Cc1cc(N)nc(NCC[N@H+](C)CCOCCO)[nH+]1 ZINC000895156524 584672158 /nfs/dbraw/zinc/67/21/58/584672158.db2.gz XUDSELYLTWCSCZ-UHFFFAOYSA-N 2 1 269.349 -0.280 20 0 CBADMP C[N@@H+](CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1)C1CC1 ZINC000895873769 584688785 /nfs/dbraw/zinc/68/87/85/584688785.db2.gz KVCWIECYSLXTCV-ZDUSSCGKSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@@H]1C[NH+](C)CCN1C ZINC000896529265 584700730 /nfs/dbraw/zinc/70/07/30/584700730.db2.gz AGLUWHSHXFXRST-UPJWGTAASA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CCC[NH+]1C)[C@@H]1C[N@H+](C)CCN1C ZINC000896529265 584700731 /nfs/dbraw/zinc/70/07/31/584700731.db2.gz AGLUWHSHXFXRST-UPJWGTAASA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000896531567 584701122 /nfs/dbraw/zinc/70/11/22/584701122.db2.gz PSWNUTWWUHKTGA-TUAOUCFPSA-N 2 1 256.394 -0.313 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896670800 584704409 /nfs/dbraw/zinc/70/44/09/584704409.db2.gz QDEIOKPYFYOBHN-AWEZNQCLSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+]1CCC(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)CC1 ZINC000897274946 584711186 /nfs/dbraw/zinc/71/11/86/584711186.db2.gz AMHYJWIKIYGBGL-GFCCVEGCSA-N 2 1 288.417 -0.838 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000897313957 584712745 /nfs/dbraw/zinc/71/27/45/584712745.db2.gz TZXMIDIOLPYNTE-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000897313957 584712746 /nfs/dbraw/zinc/71/27/46/584712746.db2.gz TZXMIDIOLPYNTE-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP COC(=O)[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCCN1C ZINC000897444137 584716536 /nfs/dbraw/zinc/71/65/36/584716536.db2.gz VWQCSHSJLWJVRP-GHMZBOCLSA-N 2 1 280.328 -0.365 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897503496 584718366 /nfs/dbraw/zinc/71/83/66/584718366.db2.gz YNKRPPFSCLMKCM-AWEZNQCLSA-N 2 1 297.399 -0.454 20 0 CBADMP C[N@H+]1C[C@@H]2CCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)[C@@H]2C1 ZINC000897825804 584725526 /nfs/dbraw/zinc/72/55/26/584725526.db2.gz PESHUDIQNVFFTK-FPMFFAJLSA-N 2 1 279.384 -0.130 20 0 CBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2CC)C1 ZINC000898127699 584731668 /nfs/dbraw/zinc/73/16/68/584731668.db2.gz ILQHLQJQZULIAE-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2CC)C1 ZINC000898127699 584731669 /nfs/dbraw/zinc/73/16/69/584731669.db2.gz ILQHLQJQZULIAE-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2CC)C1 ZINC000898127699 584731670 /nfs/dbraw/zinc/73/16/70/584731670.db2.gz ILQHLQJQZULIAE-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2CC)C1 ZINC000898127699 584731671 /nfs/dbraw/zinc/73/16/71/584731671.db2.gz ILQHLQJQZULIAE-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP COCC[NH+](CCOC)C1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000898250519 584733220 /nfs/dbraw/zinc/73/32/20/584733220.db2.gz SHOHOZOGMOBBNN-AWEZNQCLSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+](CCOC)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000898250519 584733222 /nfs/dbraw/zinc/73/32/22/584733222.db2.gz SHOHOZOGMOBBNN-AWEZNQCLSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899224867 584753745 /nfs/dbraw/zinc/75/37/45/584753745.db2.gz VLZQPZMPWMFBBN-QWHCGFSZSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000899737546 584777847 /nfs/dbraw/zinc/77/78/47/584777847.db2.gz LJRXUIBNSKJWNN-UHFFFAOYSA-N 2 1 269.389 -0.099 20 0 CBADMP Cc1cn(C(C)(C)C(=O)NCC[N@@H+](C)CCO)cn1 ZINC000899741337 584779883 /nfs/dbraw/zinc/77/98/83/584779883.db2.gz QVMDKKUGJMMKNJ-UHFFFAOYSA-N 2 1 268.361 -0.033 20 0 CBADMP C[C@H](Cc1cnc[nH]1)C(=O)NCC[N@H+](C)CCO ZINC000899741420 584779910 /nfs/dbraw/zinc/77/99/10/584779910.db2.gz XCMBWQZGVJETTB-SNVBAGLBSA-N 2 1 254.334 -0.371 20 0 CBADMP C[C@H](Cc1cnc[nH]1)C(=O)NCC[N@@H+](C)CCO ZINC000899741420 584779912 /nfs/dbraw/zinc/77/99/12/584779912.db2.gz XCMBWQZGVJETTB-SNVBAGLBSA-N 2 1 254.334 -0.371 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000899741899 584780160 /nfs/dbraw/zinc/78/01/60/584780160.db2.gz VSUSLZARAWBVIM-UHFFFAOYSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[NH+](CC)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000899904874 584783676 /nfs/dbraw/zinc/78/36/76/584783676.db2.gz RASKTCPCDAWUTM-YPMHNXCESA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CCCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000899934349 584785808 /nfs/dbraw/zinc/78/58/08/584785808.db2.gz CPBAMPWYFMVDKE-CYBMUJFWSA-N 2 1 267.373 -0.129 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC1CC[NH+](C)CC1 ZINC000900001331 584788263 /nfs/dbraw/zinc/78/82/63/584788263.db2.gz CTHPGEHLANVDEC-DGCLKSJQSA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCCC1 ZINC000900010761 584788866 /nfs/dbraw/zinc/78/88/66/584788866.db2.gz BWPAECDJTJACAR-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCCC1 ZINC000900010761 584788868 /nfs/dbraw/zinc/78/88/68/584788868.db2.gz BWPAECDJTJACAR-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900010250 584788974 /nfs/dbraw/zinc/78/89/74/584788974.db2.gz VPGBTXXKBSBLOG-HIFRSBDPSA-N 2 1 298.431 -0.853 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000900305192 584799262 /nfs/dbraw/zinc/79/92/62/584799262.db2.gz GWDSJDCSQBXWQE-WZRBSPASSA-N 2 1 255.362 -0.491 20 0 CBADMP C[NH+]1CC[C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900305192 584799264 /nfs/dbraw/zinc/79/92/64/584799264.db2.gz GWDSJDCSQBXWQE-WZRBSPASSA-N 2 1 255.362 -0.491 20 0 CBADMP C[NH+]1CC[C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900305192 584799266 /nfs/dbraw/zinc/79/92/66/584799266.db2.gz GWDSJDCSQBXWQE-WZRBSPASSA-N 2 1 255.362 -0.491 20 0 CBADMP C[N@@H+](CCNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)C1CC1 ZINC000900367953 584800691 /nfs/dbraw/zinc/80/06/91/584800691.db2.gz XPIFSPCPLQDFSU-YPMHNXCESA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+](CCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)C1CC1 ZINC000900367953 584800693 /nfs/dbraw/zinc/80/06/93/584800693.db2.gz XPIFSPCPLQDFSU-YPMHNXCESA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+](CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)C1CC1 ZINC000900367953 584800694 /nfs/dbraw/zinc/80/06/94/584800694.db2.gz XPIFSPCPLQDFSU-YPMHNXCESA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+](C)CCn1cc(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cn1 ZINC000900473036 584806349 /nfs/dbraw/zinc/80/63/49/584806349.db2.gz BVDAVSGGWRZVED-OCCSQVGLSA-N 2 1 295.387 -0.162 20 0 CBADMP C[NH+](C)CCn1cc(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)cn1 ZINC000900473036 584806351 /nfs/dbraw/zinc/80/63/51/584806351.db2.gz BVDAVSGGWRZVED-OCCSQVGLSA-N 2 1 295.387 -0.162 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC000900519646 584809792 /nfs/dbraw/zinc/80/97/92/584809792.db2.gz ZTJLTFVGPNHUMI-UHFFFAOYSA-N 2 1 255.362 -0.223 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900526063 584810250 /nfs/dbraw/zinc/81/02/50/584810250.db2.gz SFVCVUOFDKPKHD-MBNYWOFBSA-N 2 1 269.389 -0.006 20 0 CBADMP COCC[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900605315 584815695 /nfs/dbraw/zinc/81/56/95/584815695.db2.gz IUKLVCORSLLHSN-GUTXKFCHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900605315 584815696 /nfs/dbraw/zinc/81/56/96/584815696.db2.gz IUKLVCORSLLHSN-GUTXKFCHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CCC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900605315 584815697 /nfs/dbraw/zinc/81/56/97/584815697.db2.gz IUKLVCORSLLHSN-GUTXKFCHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CCC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900605315 584815698 /nfs/dbraw/zinc/81/56/98/584815698.db2.gz IUKLVCORSLLHSN-GUTXKFCHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000900630656 584817759 /nfs/dbraw/zinc/81/77/59/584817759.db2.gz OTMWKBJWFGTRDD-MBNYWOFBSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000900630656 584817761 /nfs/dbraw/zinc/81/77/61/584817761.db2.gz OTMWKBJWFGTRDD-MBNYWOFBSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000900630656 584817763 /nfs/dbraw/zinc/81/77/63/584817763.db2.gz OTMWKBJWFGTRDD-MBNYWOFBSA-N 2 1 269.389 -0.101 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900659379 584819381 /nfs/dbraw/zinc/81/93/81/584819381.db2.gz MTIYHJRGDRZFGF-ZFWWWQNUSA-N 2 1 298.431 -0.805 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900659379 584819382 /nfs/dbraw/zinc/81/93/82/584819382.db2.gz MTIYHJRGDRZFGF-ZFWWWQNUSA-N 2 1 298.431 -0.805 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900659379 584819383 /nfs/dbraw/zinc/81/93/83/584819383.db2.gz MTIYHJRGDRZFGF-ZFWWWQNUSA-N 2 1 298.431 -0.805 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900684859 584821401 /nfs/dbraw/zinc/82/14/01/584821401.db2.gz WRVZCAJPQSJUPN-OAHLLOKOSA-N 2 1 299.415 -0.376 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900684859 584821402 /nfs/dbraw/zinc/82/14/02/584821402.db2.gz WRVZCAJPQSJUPN-OAHLLOKOSA-N 2 1 299.415 -0.376 20 0 CBADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900712092 584824040 /nfs/dbraw/zinc/82/40/40/584824040.db2.gz SBOOTDMSBIKASR-OBJOEFQTSA-N 2 1 269.389 -0.148 20 0 CBADMP C[NH+]1CCC(O)(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900901899 584832414 /nfs/dbraw/zinc/83/24/14/584832414.db2.gz WHWUIORUNBMLAV-HNNXBMFYSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC1=CC[NH+](C)CC1 ZINC000901329272 584861201 /nfs/dbraw/zinc/86/12/01/584861201.db2.gz FUZKSHPLWADTLQ-GXTWGEPZSA-N 2 1 267.373 -0.180 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000901329272 584861203 /nfs/dbraw/zinc/86/12/03/584861203.db2.gz FUZKSHPLWADTLQ-GXTWGEPZSA-N 2 1 267.373 -0.180 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000901329272 584861205 /nfs/dbraw/zinc/86/12/05/584861205.db2.gz FUZKSHPLWADTLQ-GXTWGEPZSA-N 2 1 267.373 -0.180 20 0 CBADMP CC1(C)C[NH2+]CC[C@@H](NCC(=O)N2CC[NH2+]CC2)C1 ZINC000902391111 584876271 /nfs/dbraw/zinc/87/62/71/584876271.db2.gz UIOIRFNRDVXUHF-GFCCVEGCSA-N 2 1 268.405 -0.214 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(CO)COCCN2C)CC[N@H+]1C ZINC000903284292 584890029 /nfs/dbraw/zinc/89/00/29/584890029.db2.gz ZYBZRCBZWRFZER-HZSPNIEDSA-N 2 1 271.405 -0.248 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)COCCN2C)CC[N@H+]1C ZINC000903284305 584890076 /nfs/dbraw/zinc/89/00/76/584890076.db2.gz ZYBZRCBZWRFZER-MGPQQGTHSA-N 2 1 271.405 -0.248 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(CO)COCCN2C)CC[N@H+]1C ZINC000903284306 584890130 /nfs/dbraw/zinc/89/01/30/584890130.db2.gz ZYBZRCBZWRFZER-RDBSUJKOSA-N 2 1 271.405 -0.248 20 0 CBADMP COC(=O)C[N@H+](CCN1CCOCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454621 584890582 /nfs/dbraw/zinc/89/05/82/584890582.db2.gz GBVWHFKZRCNJTG-KGLIPLIRSA-N 2 1 299.415 -0.079 20 0 CBADMP COC(=O)C[N@@H+](CCN1CCOCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454621 584890583 /nfs/dbraw/zinc/89/05/83/584890583.db2.gz GBVWHFKZRCNJTG-KGLIPLIRSA-N 2 1 299.415 -0.079 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCN[C@@H](C(=O)N(C)C)C1 ZINC000903456698 584890706 /nfs/dbraw/zinc/89/07/06/584890706.db2.gz JGMOYZXALJTDRU-GRYCIOLGSA-N 2 1 254.378 -0.796 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCN[C@@H](C(=O)N(C)C)C1 ZINC000903456698 584890707 /nfs/dbraw/zinc/89/07/07/584890707.db2.gz JGMOYZXALJTDRU-GRYCIOLGSA-N 2 1 254.378 -0.796 20 0 CBADMP CON1CC[C@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000903453757 584890719 /nfs/dbraw/zinc/89/07/19/584890719.db2.gz KOETXWFKINXVJG-RYUDHWBXSA-N 2 1 268.361 -0.872 20 0 CBADMP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)C[C@H]21 ZINC000903463715 584890865 /nfs/dbraw/zinc/89/08/65/584890865.db2.gz JXONVVPLKFEOCD-SJHCENCUSA-N 2 1 288.413 -0.142 20 0 CBADMP NC(=O)NC(=O)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903485240 584891213 /nfs/dbraw/zinc/89/12/13/584891213.db2.gz KUVLUHQNRVTILT-VIFPVBQESA-N 2 1 254.334 -0.164 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493401 584891783 /nfs/dbraw/zinc/89/17/83/584891783.db2.gz RKMNSZLJGNIAJZ-WJZNIJOASA-N 2 1 269.345 -0.537 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903495289 584891826 /nfs/dbraw/zinc/89/18/26/584891826.db2.gz YXARYJLPRDAUTA-XCCSTKFXSA-N 3 1 285.388 -0.831 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C2 ZINC000903493168 584891848 /nfs/dbraw/zinc/89/18/48/584891848.db2.gz NIFXRHIPSROWTC-DYNIEEOBSA-N 2 1 283.372 -0.325 20 0 CBADMP CC1(C)CC[N@@H+](CCNS(=O)(=O)C2C[NH2+]C2)C1 ZINC000903559555 584893274 /nfs/dbraw/zinc/89/32/74/584893274.db2.gz WSTUSISLNVPAEY-UHFFFAOYSA-N 2 1 261.391 -0.391 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000903712867 584895436 /nfs/dbraw/zinc/89/54/36/584895436.db2.gz AUAMGEKXEWPWSJ-FRRDWIJNSA-N 2 1 297.399 -0.028 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903716600 584895567 /nfs/dbraw/zinc/89/55/67/584895567.db2.gz QAVDNCIBROUWMT-CABCVRRESA-N 3 1 282.432 -0.408 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722194 584895788 /nfs/dbraw/zinc/89/57/88/584895788.db2.gz IMHYYABVBOXKKQ-DGCLKSJQSA-N 2 1 255.362 -0.177 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722194 584895789 /nfs/dbraw/zinc/89/57/89/584895789.db2.gz IMHYYABVBOXKKQ-DGCLKSJQSA-N 2 1 255.362 -0.177 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722193 584895827 /nfs/dbraw/zinc/89/58/27/584895827.db2.gz IMHYYABVBOXKKQ-AAEUAGOBSA-N 2 1 255.362 -0.177 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722193 584895828 /nfs/dbraw/zinc/89/58/28/584895828.db2.gz IMHYYABVBOXKKQ-AAEUAGOBSA-N 2 1 255.362 -0.177 20 0 CBADMP CC(=O)NCC[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903764707 584898012 /nfs/dbraw/zinc/89/80/12/584898012.db2.gz VGVZYFUMRZTRPG-OLZOCXBDSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC(COC)[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903783775 584899410 /nfs/dbraw/zinc/89/94/10/584899410.db2.gz CLTZAHDZLYZENZ-WDMOLILDSA-N 2 1 286.372 -0.140 20 0 CBADMP CC[N@@H+](CCC(=O)NC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903826927 584900948 /nfs/dbraw/zinc/90/09/48/584900948.db2.gz OEKFUNMJTFCJMI-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903830037 584901255 /nfs/dbraw/zinc/90/12/55/584901255.db2.gz RDQYKHPUWVYADG-FRRDWIJNSA-N 2 1 268.357 -0.003 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857843 584902205 /nfs/dbraw/zinc/90/22/05/584902205.db2.gz WQTGSWYOGNWUNS-JOYOIKCWSA-N 2 1 254.334 -0.355 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857843 584902207 /nfs/dbraw/zinc/90/22/07/584902207.db2.gz WQTGSWYOGNWUNS-JOYOIKCWSA-N 2 1 254.334 -0.355 20 0 CBADMP C[C@H]1C(=O)NCCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903875664 584903223 /nfs/dbraw/zinc/90/32/23/584903223.db2.gz SQSVCLNPOOCPGL-OBJOEFQTSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[C@@H]1C(=O)NCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000903881790 584903713 /nfs/dbraw/zinc/90/37/13/584903713.db2.gz ISFZSHSBYSBMMK-GFCCVEGCSA-N 2 1 254.378 -0.508 20 0 CBADMP CC[C@H]1C(=O)NCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903883739 584903792 /nfs/dbraw/zinc/90/37/92/584903792.db2.gz YYWBRDKKNQGORC-NEPJUHHUSA-N 2 1 267.373 -0.035 20 0 CBADMP CCS(=O)(=O)NCCC[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903922051 584904694 /nfs/dbraw/zinc/90/46/94/584904694.db2.gz SWXRHNTWDCZUEP-MRVPVSSYSA-N 2 1 273.349 -0.112 20 0 CBADMP Cc1c(C[C@H](C[NH3+])CNCCN2CC[NH2+]CC2)cnn1C ZINC000903918666 584904715 /nfs/dbraw/zinc/90/47/15/584904715.db2.gz DZMQRIAWIVCEOS-CQSZACIVSA-N 2 1 294.447 -0.659 20 0 CBADMP C[C@]12C[N@H+](C[C@H]([NH3+])CC(F)F)C[C@@]1(C)C(=O)NC2=O ZINC000903935683 584904840 /nfs/dbraw/zinc/90/48/40/584904840.db2.gz SFYRZDCPRBVFAS-HFKOZYHYSA-N 2 1 275.299 -0.047 20 0 CBADMP C[C@]12C[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@@]1(C)C(=O)NC2=O ZINC000903935683 584904842 /nfs/dbraw/zinc/90/48/42/584904842.db2.gz SFYRZDCPRBVFAS-HFKOZYHYSA-N 2 1 275.299 -0.047 20 0 CBADMP CC(=O)NCC[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903932939 584904966 /nfs/dbraw/zinc/90/49/66/584904966.db2.gz XRYZMIKMIULGJU-CYBMUJFWSA-N 2 1 281.404 -0.086 20 0 CBADMP CC(C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000968300380 613971036 /nfs/dbraw/zinc/97/10/36/613971036.db2.gz GDZIYWKOCGVBNN-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000968300380 613971037 /nfs/dbraw/zinc/97/10/37/613971037.db2.gz GDZIYWKOCGVBNN-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000968903896 614101467 /nfs/dbraw/zinc/10/14/67/614101467.db2.gz AHZPODLVPPATCD-CHWSQXEVSA-N 2 1 296.415 -0.360 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CCO)C2)C1 ZINC000972170083 614366037 /nfs/dbraw/zinc/36/60/37/614366037.db2.gz YCZLTKAHRSGNOK-KGLIPLIRSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CCO)C2)C1 ZINC000972170083 614366039 /nfs/dbraw/zinc/36/60/39/614366039.db2.gz YCZLTKAHRSGNOK-KGLIPLIRSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCO)C2)C1 ZINC000972170083 614366042 /nfs/dbraw/zinc/36/60/42/614366042.db2.gz YCZLTKAHRSGNOK-KGLIPLIRSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)C1 ZINC000972170083 614366044 /nfs/dbraw/zinc/36/60/44/614366044.db2.gz YCZLTKAHRSGNOK-KGLIPLIRSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000960175621 614665206 /nfs/dbraw/zinc/66/52/06/614665206.db2.gz PMDDIFCHLMXHPE-CZXHOFHRSA-N 2 1 294.399 -0.608 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000960175621 614665211 /nfs/dbraw/zinc/66/52/11/614665211.db2.gz PMDDIFCHLMXHPE-CZXHOFHRSA-N 2 1 294.399 -0.608 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000960175621 614665213 /nfs/dbraw/zinc/66/52/13/614665213.db2.gz PMDDIFCHLMXHPE-CZXHOFHRSA-N 2 1 294.399 -0.608 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000960175621 614665215 /nfs/dbraw/zinc/66/52/15/614665215.db2.gz PMDDIFCHLMXHPE-CZXHOFHRSA-N 2 1 294.399 -0.608 20 0 CBADMP CC1(C)C[N@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000977622411 614665369 /nfs/dbraw/zinc/66/53/69/614665369.db2.gz MDKNMQFURJFATE-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000977622411 614665370 /nfs/dbraw/zinc/66/53/70/614665370.db2.gz MDKNMQFURJFATE-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[C@H](C(=O)N1CCN(C2C[NH+](CCO)C2)CC1)[NH+](C)C ZINC000941454173 615601231 /nfs/dbraw/zinc/60/12/31/615601231.db2.gz CZVAWHOFBMCEHV-CQSZACIVSA-N 2 1 298.431 -0.853 20 0 CBADMP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1)[NH+](C)C ZINC000969074593 615602774 /nfs/dbraw/zinc/60/27/74/615602774.db2.gz KGTLVBPSLFQGSZ-VXGBXAGGSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[C@H](C(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2)[NH+](C)C ZINC000972430486 615603442 /nfs/dbraw/zinc/60/34/42/615603442.db2.gz GMMCXGWGPCCYQZ-UKRRQHHQSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[C@H](C(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2)[NH+](C)C ZINC000972430486 615603443 /nfs/dbraw/zinc/60/34/43/615603443.db2.gz GMMCXGWGPCCYQZ-UKRRQHHQSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCO)C1)[NH+](C)C ZINC000971780470 615603576 /nfs/dbraw/zinc/60/35/76/615603576.db2.gz ZTVNOVHTVAJSBS-NWDGAFQWSA-N 2 1 257.378 -0.148 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971551863 616054078 /nfs/dbraw/zinc/05/40/78/616054078.db2.gz KZTUUZXHGHRREQ-CHWSQXEVSA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971551863 616054079 /nfs/dbraw/zinc/05/40/79/616054079.db2.gz KZTUUZXHGHRREQ-CHWSQXEVSA-N 2 1 294.399 -0.654 20 0 CBADMP CN(CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000971204703 616055867 /nfs/dbraw/zinc/05/58/67/616055867.db2.gz NQVSLGDJJLACPJ-WDEREUQCSA-N 2 1 268.361 -0.901 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971204703 616055868 /nfs/dbraw/zinc/05/58/68/616055868.db2.gz NQVSLGDJJLACPJ-WDEREUQCSA-N 2 1 268.361 -0.901 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971204703 616055869 /nfs/dbraw/zinc/05/58/69/616055869.db2.gz NQVSLGDJJLACPJ-WDEREUQCSA-N 2 1 268.361 -0.901 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000971204703 616055871 /nfs/dbraw/zinc/05/58/71/616055871.db2.gz NQVSLGDJJLACPJ-WDEREUQCSA-N 2 1 268.361 -0.901 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971801278 616113027 /nfs/dbraw/zinc/11/30/27/616113027.db2.gz OVAOQSNXTDLKPQ-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000971801278 616113028 /nfs/dbraw/zinc/11/30/28/616113028.db2.gz OVAOQSNXTDLKPQ-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000971801278 616113029 /nfs/dbraw/zinc/11/30/29/616113029.db2.gz OVAOQSNXTDLKPQ-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972235975 616166691 /nfs/dbraw/zinc/16/66/91/616166691.db2.gz UJGYUPDAEJPPLL-CYBMUJFWSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CCO)CC1 ZINC000981459145 616179383 /nfs/dbraw/zinc/17/93/83/616179383.db2.gz OHVAIDYRXFMKBL-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](CCO)CC1 ZINC000981459145 616179384 /nfs/dbraw/zinc/17/93/84/616179384.db2.gz OHVAIDYRXFMKBL-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CCO)CC1 ZINC000981459145 616179385 /nfs/dbraw/zinc/17/93/85/616179385.db2.gz OHVAIDYRXFMKBL-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971801274 616183374 /nfs/dbraw/zinc/18/33/74/616183374.db2.gz OVAOQSNXTDLKPQ-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000971801274 616183375 /nfs/dbraw/zinc/18/33/75/616183375.db2.gz OVAOQSNXTDLKPQ-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000971801274 616183376 /nfs/dbraw/zinc/18/33/76/616183376.db2.gz OVAOQSNXTDLKPQ-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000969595022 616192040 /nfs/dbraw/zinc/19/20/40/616192040.db2.gz JRZATZYEZZHPTA-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC000977923976 616193654 /nfs/dbraw/zinc/19/36/54/616193654.db2.gz VAUCRUIFXXTSCC-YIYPIFLZSA-N 2 1 281.400 -0.243 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000977923976 616193655 /nfs/dbraw/zinc/19/36/55/616193655.db2.gz VAUCRUIFXXTSCC-YIYPIFLZSA-N 2 1 281.400 -0.243 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000977923976 616193656 /nfs/dbraw/zinc/19/36/56/616193656.db2.gz VAUCRUIFXXTSCC-YIYPIFLZSA-N 2 1 281.400 -0.243 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000983326450 616212318 /nfs/dbraw/zinc/21/23/18/616212318.db2.gz PTMYRLWEQOHSPO-CYDGBPFRSA-N 2 1 294.399 -0.547 20 0 CBADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000948269796 616250917 /nfs/dbraw/zinc/25/09/17/616250917.db2.gz QPVADVULJRVQKF-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000948269796 616250918 /nfs/dbraw/zinc/25/09/18/616250918.db2.gz QPVADVULJRVQKF-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH+](CCO)CC1 ZINC000948269796 616250919 /nfs/dbraw/zinc/25/09/19/616250919.db2.gz QPVADVULJRVQKF-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH+](CCO)CC1 ZINC000948269796 616250920 /nfs/dbraw/zinc/25/09/20/616250920.db2.gz QPVADVULJRVQKF-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940648270 616252836 /nfs/dbraw/zinc/25/28/36/616252836.db2.gz YQPNIIKUPSMXFP-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940648270 616252837 /nfs/dbraw/zinc/25/28/37/616252837.db2.gz YQPNIIKUPSMXFP-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCO)CC2(C)C)C1 ZINC000940648270 616252838 /nfs/dbraw/zinc/25/28/38/616252838.db2.gz YQPNIIKUPSMXFP-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCO)CC2(C)C)C1 ZINC000940648270 616252839 /nfs/dbraw/zinc/25/28/39/616252839.db2.gz YQPNIIKUPSMXFP-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP CN1CCO[C@@H](C(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)C1 ZINC000972991275 616253262 /nfs/dbraw/zinc/25/32/62/616253262.db2.gz HQOQZLNRANXLHX-NEPJUHHUSA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCC[NH+](CCO)C3)C1 ZINC000982150672 616356927 /nfs/dbraw/zinc/35/69/27/616356927.db2.gz PLUKJKYCOWDOLS-ZDUSSCGKSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC3(C2)CCC[N@H+](CCO)C3)C1 ZINC000982150672 616356932 /nfs/dbraw/zinc/35/69/32/616356932.db2.gz PLUKJKYCOWDOLS-ZDUSSCGKSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CCO)C3)C1 ZINC000982150672 616356937 /nfs/dbraw/zinc/35/69/37/616356937.db2.gz PLUKJKYCOWDOLS-ZDUSSCGKSA-N 2 1 281.400 -0.145 20 0 CBADMP Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970711175 616363176 /nfs/dbraw/zinc/36/31/76/616363176.db2.gz BIRVCKHODSSXJZ-NWDGAFQWSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970711175 616363182 /nfs/dbraw/zinc/36/31/82/616363182.db2.gz BIRVCKHODSSXJZ-NWDGAFQWSA-N 2 1 292.387 -0.543 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@]3(C2)CN(CCO)CCO3)C1 ZINC000972672890 616365469 /nfs/dbraw/zinc/36/54/69/616365469.db2.gz BPYTVVRRNFQRFE-ZFWWWQNUSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(C2)C[NH+](CCO)CCO3)C1 ZINC000972672890 616365470 /nfs/dbraw/zinc/36/54/70/616365470.db2.gz BPYTVVRRNFQRFE-ZFWWWQNUSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@]3(C2)C[NH+](CCO)CCO3)C1 ZINC000972672890 616365475 /nfs/dbraw/zinc/36/54/75/616365475.db2.gz BPYTVVRRNFQRFE-ZFWWWQNUSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)C1 ZINC000972672890 616365480 /nfs/dbraw/zinc/36/54/80/616365480.db2.gz BPYTVVRRNFQRFE-ZFWWWQNUSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)C1 ZINC000972672890 616365482 /nfs/dbraw/zinc/36/54/82/616365482.db2.gz BPYTVVRRNFQRFE-ZFWWWQNUSA-N 2 1 297.399 -0.766 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962555540 616467283 /nfs/dbraw/zinc/46/72/83/616467283.db2.gz QDLCOFWVMZTYCY-NDBYEHHHSA-N 2 1 267.373 -0.369 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000962555540 616467287 /nfs/dbraw/zinc/46/72/87/616467287.db2.gz QDLCOFWVMZTYCY-NDBYEHHHSA-N 2 1 267.373 -0.369 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000962555540 616467291 /nfs/dbraw/zinc/46/72/91/616467291.db2.gz QDLCOFWVMZTYCY-NDBYEHHHSA-N 2 1 267.373 -0.369 20 0 CBADMP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961138438 616467497 /nfs/dbraw/zinc/46/74/97/616467497.db2.gz BMKHYHSJTFXUJF-IMRBUKKESA-N 2 1 278.356 -0.116 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961138438 616467500 /nfs/dbraw/zinc/46/75/00/616467500.db2.gz BMKHYHSJTFXUJF-IMRBUKKESA-N 2 1 278.356 -0.116 20 0 CBADMP CNC(=O)CN1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000969382640 616598827 /nfs/dbraw/zinc/59/88/27/616598827.db2.gz VTRQWJXIAYESIQ-CMPLNLGQSA-N 2 1 282.388 -0.737 20 0 CBADMP CNC(=O)CN1CC([C@H](C)NC(=O)[C@H]2CCCN2C)C1 ZINC000969382640 616598829 /nfs/dbraw/zinc/59/88/29/616598829.db2.gz VTRQWJXIAYESIQ-CMPLNLGQSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)O[C@H]1CNOC1 ZINC000923201087 658169603 /nfs/dbraw/zinc/16/96/03/658169603.db2.gz JMOUJBXKGJLMJZ-RYUDHWBXSA-N 2 1 288.392 -0.112 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)O[C@H]1CNOC1 ZINC000923201087 658169612 /nfs/dbraw/zinc/16/96/12/658169612.db2.gz JMOUJBXKGJLMJZ-RYUDHWBXSA-N 2 1 288.392 -0.112 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](n3ccnn3)C2)C1 ZINC000923381159 658244751 /nfs/dbraw/zinc/24/47/51/658244751.db2.gz FATRLNYKMMIVPI-BJDJZHNGSA-N 2 1 251.334 -0.234 20 0 CBADMP COCCOC[C@@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923379894 658244920 /nfs/dbraw/zinc/24/49/20/658244920.db2.gz BKRNFARJMQCDFG-LBPRGKRZSA-N 2 1 258.362 -0.162 20 0 CBADMP CC[C@H](O)C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378254 658247255 /nfs/dbraw/zinc/24/72/55/658247255.db2.gz TVHSRMOIEJOWSL-IHRRRGAJSA-N 2 1 296.415 -0.023 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487223 658304187 /nfs/dbraw/zinc/30/41/87/658304187.db2.gz BCYDHZMWPPVDIR-WDEREUQCSA-N 2 1 286.376 -0.482 20 0 CBADMP [NH3+]CC[C@@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000923485662 658305165 /nfs/dbraw/zinc/30/51/65/658305165.db2.gz KYFDAFDWIIMYIM-GFCCVEGCSA-N 2 1 255.362 -0.094 20 0 CBADMP NC(=O)C12CCC(CC1)[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000923529266 658315925 /nfs/dbraw/zinc/31/59/25/658315925.db2.gz ASEKQSWVKAASCJ-UHFFFAOYSA-N 2 1 280.372 -0.709 20 0 CBADMP NC(=O)C12CCC(CC1)[N@H+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923529302 658316201 /nfs/dbraw/zinc/31/62/01/658316201.db2.gz CMDNKUUILUVNGE-CVZZAPKMSA-N 2 1 265.357 -0.153 20 0 CBADMP Cc1[nH+]ccn1CCCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923591860 658343493 /nfs/dbraw/zinc/34/34/93/658343493.db2.gz FXYJRILPKSLTLH-UHFFFAOYSA-N 2 1 287.389 -0.679 20 0 CBADMP C[C@H]1C[C@H](N(C)S(=O)(=O)C2C[NH2+]C2)CC[N@H+]1C ZINC000923617495 658356031 /nfs/dbraw/zinc/35/60/31/658356031.db2.gz DHONMGXSXGYISA-VHSXEESVSA-N 2 1 261.391 -0.298 20 0 CBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)C1C[NH2+]C1 ZINC000923622399 658358648 /nfs/dbraw/zinc/35/86/48/658358648.db2.gz XOWFGOBFVVEDFQ-MNOVXSKESA-N 2 1 273.402 -0.153 20 0 CBADMP CC[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000923622424 658359599 /nfs/dbraw/zinc/35/95/99/658359599.db2.gz YJVZCAYDRUSZNV-MNOVXSKESA-N 2 1 291.417 -0.935 20 0 CBADMP CC[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000923622424 658359611 /nfs/dbraw/zinc/35/96/11/658359611.db2.gz YJVZCAYDRUSZNV-MNOVXSKESA-N 2 1 291.417 -0.935 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000923665123 658387727 /nfs/dbraw/zinc/38/77/27/658387727.db2.gz BUOKGLLELMQOSY-VXGBXAGGSA-N 2 1 288.417 -0.838 20 0 CBADMP C[C@H]1[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)CC[N@H+]1C ZINC000925326624 658826051 /nfs/dbraw/zinc/82/60/51/658826051.db2.gz YWXHLEUVENVWNV-RYUDHWBXSA-N 2 1 284.404 -0.165 20 0 CBADMP COC(=O)c1cn(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)nn1 ZINC000925665976 658864783 /nfs/dbraw/zinc/86/47/83/658864783.db2.gz JEJFZNQZVYVXRU-BSFRTMCYSA-N 2 1 291.355 -0.349 20 0 CBADMP CCOCCOC[C@H](O)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925650656 658864824 /nfs/dbraw/zinc/86/48/24/658864824.db2.gz QIDIQXMFGLPEAM-UJOWSUJOSA-N 2 1 284.400 -0.014 20 0 CBADMP OCCC[N@H+]1CCC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925678127 658865152 /nfs/dbraw/zinc/86/51/52/658865152.db2.gz CNERUWYWVVMZOE-CHWSQXEVSA-N 2 1 257.378 -0.589 20 0 CBADMP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925788028 658872073 /nfs/dbraw/zinc/87/20/73/658872073.db2.gz XNIBFJNWHHNCOL-RHYQMDGZSA-N 2 1 255.362 -0.275 20 0 CBADMP CC1(C)[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925855583 658874807 /nfs/dbraw/zinc/87/48/07/658874807.db2.gz CXASWXNZANBWCD-USZNOCQGSA-N 2 1 290.429 -0.242 20 0 CBADMP C[C@@H](CC(N)=O)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925851343 658874905 /nfs/dbraw/zinc/87/49/05/658874905.db2.gz XRLLPKKCEQWJLD-LBPRGKRZSA-N 2 1 256.394 -0.085 20 0 CBADMP CC1(C)[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925855594 658875090 /nfs/dbraw/zinc/87/50/90/658875090.db2.gz CXASWXNZANBWCD-WHOHXGKFSA-N 2 1 290.429 -0.242 20 0 CBADMP C[C@H]1[C@@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000928453592 659025517 /nfs/dbraw/zinc/02/55/17/659025517.db2.gz YBXNGTURJUOPJR-RYUDHWBXSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@H]1[C@@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000928453592 659025527 /nfs/dbraw/zinc/02/55/27/659025527.db2.gz YBXNGTURJUOPJR-RYUDHWBXSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@@H](O)[C@H](O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000930501425 659297204 /nfs/dbraw/zinc/29/72/04/659297204.db2.gz BJAPFOMASGCFIW-CHWSQXEVSA-N 2 1 261.410 -0.457 20 0 CBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000930490746 659297362 /nfs/dbraw/zinc/29/73/62/659297362.db2.gz HKTRTCASWVIMKP-WXHSDQCUSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000930490746 659297375 /nfs/dbraw/zinc/29/73/75/659297375.db2.gz HKTRTCASWVIMKP-WXHSDQCUSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000930490746 659297388 /nfs/dbraw/zinc/29/73/88/659297388.db2.gz HKTRTCASWVIMKP-WXHSDQCUSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000930490746 659297408 /nfs/dbraw/zinc/29/74/08/659297408.db2.gz HKTRTCASWVIMKP-WXHSDQCUSA-N 2 1 294.399 -0.594 20 0 CBADMP CNS(=O)(=O)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442078 659460404 /nfs/dbraw/zinc/46/04/04/659460404.db2.gz TYDROVWYHQUGDT-WDEREUQCSA-N 2 1 261.391 -0.581 20 0 CBADMP CNS(=O)(=O)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442078 659460408 /nfs/dbraw/zinc/46/04/08/659460408.db2.gz TYDROVWYHQUGDT-WDEREUQCSA-N 2 1 261.391 -0.581 20 0 CBADMP CNS(=O)(=O)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931442078 659460414 /nfs/dbraw/zinc/46/04/14/659460414.db2.gz TYDROVWYHQUGDT-WDEREUQCSA-N 2 1 261.391 -0.581 20 0 CBADMP CNS(=O)(=O)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442078 659460427 /nfs/dbraw/zinc/46/04/27/659460427.db2.gz TYDROVWYHQUGDT-WDEREUQCSA-N 2 1 261.391 -0.581 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432571 659464422 /nfs/dbraw/zinc/46/44/22/659464422.db2.gz VPNPVZXTFZOBPR-KXUCPTDWSA-N 2 1 254.334 -0.547 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432571 659464437 /nfs/dbraw/zinc/46/44/37/659464437.db2.gz VPNPVZXTFZOBPR-KXUCPTDWSA-N 2 1 254.334 -0.547 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432571 659464460 /nfs/dbraw/zinc/46/44/60/659464460.db2.gz VPNPVZXTFZOBPR-KXUCPTDWSA-N 2 1 254.334 -0.547 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432571 659464507 /nfs/dbraw/zinc/46/45/07/659464507.db2.gz VPNPVZXTFZOBPR-KXUCPTDWSA-N 2 1 254.334 -0.547 20 0 CBADMP CON1CC[C@@H]([NH+]2CCC(O)(C[NH+](C)C)CC2)C1=O ZINC000931478583 659470963 /nfs/dbraw/zinc/47/09/63/659470963.db2.gz CHZONDBUPDQCBW-LLVKDONJSA-N 2 1 271.361 -0.463 20 0 CBADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000931486259 659471560 /nfs/dbraw/zinc/47/15/60/659471560.db2.gz AEDBBCHUULLSMH-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)C[NH+]1CCC(Nc2cc(C)[nH+]c(N)n2)CC1 ZINC000046485449 656013834 /nfs/dbraw/zinc/01/38/34/656013834.db2.gz KRYJRJFSTDHMSH-UHFFFAOYSA-N 2 1 278.360 -0.010 20 0 CBADMP C[N@H+](CCn1cccn1)CC(=O)N1CC[NH2+]CC1 ZINC000049326185 656019382 /nfs/dbraw/zinc/01/93/82/656019382.db2.gz RGBYXHCCDMSAHO-UHFFFAOYSA-N 2 1 251.334 -0.753 20 0 CBADMP C[N@@H+](CCn1cccn1)CC(=O)N1CC[NH2+]CC1 ZINC000049326185 656019384 /nfs/dbraw/zinc/01/93/84/656019384.db2.gz RGBYXHCCDMSAHO-UHFFFAOYSA-N 2 1 251.334 -0.753 20 0 CBADMP C[N@@H+](CCNS(=O)(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000062010815 656032780 /nfs/dbraw/zinc/03/27/80/656032780.db2.gz JFJZIXQZZXPMHF-UHFFFAOYSA-N 2 1 275.418 0.000 20 0 CBADMP O=S(=O)(N1CC[C@H]([NH+]2CCCC2)C1)N1CC[NH2+]CC1 ZINC000062981074 656033445 /nfs/dbraw/zinc/03/34/45/656033445.db2.gz XQFZABIJRAAWRS-LBPRGKRZSA-N 2 1 288.417 -0.694 20 0 CBADMP COCCNC(=[NH2+])NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000066246630 656036377 /nfs/dbraw/zinc/03/63/77/656036377.db2.gz JORNZZASDCAXFO-GFCCVEGCSA-N 2 1 299.419 -0.520 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000068890080 656038464 /nfs/dbraw/zinc/03/84/64/656038464.db2.gz AIJARCWTQUZDEO-IUCAKERBSA-N 2 1 283.294 -0.304 20 0 CBADMP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070171073 656039651 /nfs/dbraw/zinc/03/96/51/656039651.db2.gz QVSKHJVRYFKSDT-JTQLQIEISA-N 2 1 256.350 -0.107 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@H+](C)CCN2CC[NH2+]CC2)CCO1 ZINC000071150305 656041342 /nfs/dbraw/zinc/04/13/42/656041342.db2.gz RQZRDYIYNILZQT-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)CCO1 ZINC000071150305 656041346 /nfs/dbraw/zinc/04/13/46/656041346.db2.gz RQZRDYIYNILZQT-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCCCNC1=O ZINC000071150174 656041386 /nfs/dbraw/zinc/04/13/86/656041386.db2.gz WJNYOKYSCBPIDI-GFCCVEGCSA-N 2 1 254.378 -0.508 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668490 656058822 /nfs/dbraw/zinc/05/88/22/656058822.db2.gz JYVIMTXHBCVCQM-UPJWGTAASA-N 2 1 283.372 -0.656 20 0 CBADMP O=C(COC1CC[NH2+]CC1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091667900 656058977 /nfs/dbraw/zinc/05/89/77/656058977.db2.gz OJVFDJVHCRVYOU-OCCSQVGLSA-N 2 1 297.399 -0.266 20 0 CBADMP O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000091668055 656059228 /nfs/dbraw/zinc/05/92/28/656059228.db2.gz YGXYLVYDNANMPE-AVGNSLFASA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(C[NH2+]C1CC1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668838 656059277 /nfs/dbraw/zinc/05/92/77/656059277.db2.gz YNUIWWWBAQKRCL-NEPJUHHUSA-N 2 1 253.346 -0.282 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CCC[NH2+]1 ZINC000091668348 656059287 /nfs/dbraw/zinc/05/92/87/656059287.db2.gz PZKHANZTGZKQJC-GRYCIOLGSA-N 2 1 253.346 -0.282 20 0 CBADMP O=C(N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[C@]1(F)CC[NH2+]C1 ZINC000186701241 656095238 /nfs/dbraw/zinc/09/52/38/656095238.db2.gz JYMADVHNQNGXPO-FZMZJTMJSA-N 2 1 298.362 -0.889 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)CCCCC[NH3+])CC1 ZINC000188070409 656096082 /nfs/dbraw/zinc/09/60/82/656096082.db2.gz LXDQZOSOCMLNMA-UHFFFAOYSA-N 2 1 284.404 -0.214 20 0 CBADMP CCOC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000225865958 656106570 /nfs/dbraw/zinc/10/65/70/656106570.db2.gz GWFXGHIAGSSXCS-NEPJUHHUSA-N 2 1 273.377 -0.829 20 0 CBADMP COC[C@H](C)OC[C@@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000234697142 656115012 /nfs/dbraw/zinc/11/50/12/656115012.db2.gz UZKRVXFBSGSFHX-KBPBESRZSA-N 2 1 289.420 -0.764 20 0 CBADMP COCC[NH2+]CC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250180548 656122037 /nfs/dbraw/zinc/12/20/37/656122037.db2.gz VBKNHXZWDMCLJG-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252600330 656122929 /nfs/dbraw/zinc/12/29/29/656122929.db2.gz LMIDITYHLLQYSN-RVMXOQNASA-N 2 1 267.373 -0.036 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCC[NH2+]1 ZINC000252552054 656122973 /nfs/dbraw/zinc/12/29/73/656122973.db2.gz PZKHANZTGZKQJC-QJPTWQEYSA-N 2 1 253.346 -0.282 20 0 CBADMP CC(C)[NH2+]CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252554297 656123397 /nfs/dbraw/zinc/12/33/97/656123397.db2.gz ROVZDHFQGUTCGL-NWDGAFQWSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@]1(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000252539986 656123430 /nfs/dbraw/zinc/12/34/30/656123430.db2.gz CBQORJXYPGISQS-OBJOEFQTSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(CC[N@H+]1CC[C@@]2(CCOC2)C1)N1CC[NH2+]CC1 ZINC000262211912 656129400 /nfs/dbraw/zinc/12/94/00/656129400.db2.gz TVQCZZSZNCVBBN-CQSZACIVSA-N 2 1 267.373 -0.079 20 0 CBADMP [NH3+][C@@H](CC1CC1)C(=O)NCCC[NH+]1CCOCC1 ZINC000310694495 656143748 /nfs/dbraw/zinc/14/37/48/656143748.db2.gz UEEQPIYMJNTRTK-LBPRGKRZSA-N 2 1 255.362 -0.048 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)[C@@H](C)C1 ZINC000310849831 656144091 /nfs/dbraw/zinc/14/40/91/656144091.db2.gz IWDVXSKREPNADZ-QWHCGFSZSA-N 2 1 259.394 -0.439 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+](C)[C@@H](C)C1 ZINC000310849831 656144092 /nfs/dbraw/zinc/14/40/92/656144092.db2.gz IWDVXSKREPNADZ-QWHCGFSZSA-N 2 1 259.394 -0.439 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000310849831 656144094 /nfs/dbraw/zinc/14/40/94/656144094.db2.gz IWDVXSKREPNADZ-QWHCGFSZSA-N 2 1 259.394 -0.439 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000311016202 656144967 /nfs/dbraw/zinc/14/49/67/656144967.db2.gz KUJUDAKTQPRHEE-AGIUHOORSA-N 2 1 259.394 -0.263 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000311972169 656146389 /nfs/dbraw/zinc/14/63/89/656146389.db2.gz BIXJAZQRVLOYMD-IHRRRGAJSA-N 2 1 271.405 -0.391 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000313080199 656147754 /nfs/dbraw/zinc/14/77/54/656147754.db2.gz LGGDWXKNUBOUCX-AJNGGQMLSA-N 2 1 285.432 -0.015 20 0 CBADMP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000313080199 656147757 /nfs/dbraw/zinc/14/77/57/656147757.db2.gz LGGDWXKNUBOUCX-AJNGGQMLSA-N 2 1 285.432 -0.015 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000313080199 656147759 /nfs/dbraw/zinc/14/77/59/656147759.db2.gz LGGDWXKNUBOUCX-AJNGGQMLSA-N 2 1 285.432 -0.015 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000313080221 656147836 /nfs/dbraw/zinc/14/78/36/656147836.db2.gz LGGDWXKNUBOUCX-ZQDZILKHSA-N 2 1 285.432 -0.015 20 0 CBADMP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000313080221 656147838 /nfs/dbraw/zinc/14/78/38/656147838.db2.gz LGGDWXKNUBOUCX-ZQDZILKHSA-N 2 1 285.432 -0.015 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000313080221 656147843 /nfs/dbraw/zinc/14/78/43/656147843.db2.gz LGGDWXKNUBOUCX-ZQDZILKHSA-N 2 1 285.432 -0.015 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@H]2NCCO[C@@H]2C)CC1 ZINC000328355454 656148847 /nfs/dbraw/zinc/14/88/47/656148847.db2.gz OBXYXIVWCFQLRH-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)C1CC[NH+](C)CC1 ZINC000347789578 656156941 /nfs/dbraw/zinc/15/69/41/656156941.db2.gz BGFXSKLCVMWISJ-UHFFFAOYSA-N 2 1 257.378 -0.241 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000700304214 656175511 /nfs/dbraw/zinc/17/55/11/656175511.db2.gz FHQMCPMUGOJYSM-NWDGAFQWSA-N 2 1 275.418 -0.191 20 0 CBADMP CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000702951265 656182590 /nfs/dbraw/zinc/18/25/90/656182590.db2.gz BATYYCMSZAVHOJ-OUAUKWLOSA-N 2 1 261.391 -0.263 20 0 CBADMP CS(=O)(=O)N[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000703166983 656183092 /nfs/dbraw/zinc/18/30/92/656183092.db2.gz KACSOCHRFDVCFB-RYUDHWBXSA-N 2 1 275.418 0.000 20 0 CBADMP CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000703166983 656183094 /nfs/dbraw/zinc/18/30/94/656183094.db2.gz KACSOCHRFDVCFB-RYUDHWBXSA-N 2 1 275.418 0.000 20 0 CBADMP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC000708854034 656194539 /nfs/dbraw/zinc/19/45/39/656194539.db2.gz WUOPDTYMNDYUEN-IJLUTSLNSA-N 2 1 255.362 -0.240 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC000708854034 656194542 /nfs/dbraw/zinc/19/45/42/656194542.db2.gz WUOPDTYMNDYUEN-IJLUTSLNSA-N 2 1 255.362 -0.240 20 0 CBADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709803913 656196182 /nfs/dbraw/zinc/19/61/82/656196182.db2.gz NEVVYSALOGZFIZ-YNEHKIRRSA-N 2 1 260.378 -0.636 20 0 CBADMP CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709803913 656196180 /nfs/dbraw/zinc/19/61/80/656196180.db2.gz NEVVYSALOGZFIZ-YNEHKIRRSA-N 2 1 260.378 -0.636 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710628468 656199336 /nfs/dbraw/zinc/19/93/36/656199336.db2.gz YSTFLVAWSLRXSE-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP CCNC(=O)NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710570602 656198909 /nfs/dbraw/zinc/19/89/09/656198909.db2.gz LVBQCMIFHBKBLP-UHFFFAOYSA-N 2 1 286.376 -0.779 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCC(O)(C[NH+](C)C)CC1 ZINC000710663323 656199282 /nfs/dbraw/zinc/19/92/82/656199282.db2.gz DGKQFGKGWHJVAO-ZDUSSCGKSA-N 2 1 273.421 -0.313 20 0 CBADMP COC[C@]1(C(=O)NC[C@@H]2CCC[N@H+]2C)C[NH2+]CCO1 ZINC000710756105 656200951 /nfs/dbraw/zinc/20/09/51/656200951.db2.gz UZHZWZKLMYBHDV-AAEUAGOBSA-N 2 1 271.361 -0.798 20 0 CBADMP COC[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](C)C2)C[NH2+]CCO1 ZINC000710755548 656201075 /nfs/dbraw/zinc/20/10/75/656201075.db2.gz PTZIWTJKWSDPRE-DGCLKSJQSA-N 2 1 271.361 -0.798 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710784756 656201476 /nfs/dbraw/zinc/20/14/76/656201476.db2.gz TUFAFQNKBOBBGS-GXTWGEPZSA-N 2 1 285.388 -0.408 20 0 CBADMP COC[C@]1(C(=O)NCC[N@@H+](C)C(C)C)C[NH2+]CCO1 ZINC000710839519 656204543 /nfs/dbraw/zinc/20/45/43/656204543.db2.gz RNDOFZIQWUSJEP-ZDUSSCGKSA-N 2 1 273.377 -0.552 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711318199 656207504 /nfs/dbraw/zinc/20/75/04/656207504.db2.gz UNFYQIMRQXEGMA-VXGBXAGGSA-N 2 1 268.405 -0.406 20 0 CBADMP C[N@H+]1CCN(S(=O)(=O)N2CC[NH2+]CC2)CCC1(C)C ZINC000712625541 656210736 /nfs/dbraw/zinc/21/07/36/656210736.db2.gz KZPJHMBXFXVOTP-UHFFFAOYSA-N 2 1 290.433 -0.448 20 0 CBADMP C[N@H+]1CCN(C(=O)c2cn(CC[NH3+])nn2)CCC1(C)C ZINC000712691085 656211107 /nfs/dbraw/zinc/21/11/07/656211107.db2.gz RPMBOFWNJJVFOH-UHFFFAOYSA-N 2 1 280.376 -0.207 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CCC1(C)C ZINC000712669328 656211161 /nfs/dbraw/zinc/21/11/61/656211161.db2.gz BAJMKEZZKKOKDC-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1(F)F ZINC000715094851 656218829 /nfs/dbraw/zinc/21/88/29/656218829.db2.gz PFLNIGNLIJXKGM-LNFKQOIKSA-N 2 1 289.326 -0.194 20 0 CBADMP CC[NH+]1CCN(C(=O)c2c(C[NH3+])cnn2C)CC1 ZINC000719188301 656234625 /nfs/dbraw/zinc/23/46/25/656234625.db2.gz BHICQXDQBHMMJI-UHFFFAOYSA-N 2 1 251.334 -0.344 20 0 CBADMP Cn1ncc(C[NH3+])c1C(=O)NCC[NH+]1CCSCC1 ZINC000719197080 656234636 /nfs/dbraw/zinc/23/46/36/656234636.db2.gz FENSKAAOENCVLE-UHFFFAOYSA-N 2 1 283.401 -0.343 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)c1c(C[NH3+])cnn1C ZINC000719258317 656234892 /nfs/dbraw/zinc/23/48/92/656234892.db2.gz YEDVWOHTNWAWPD-UHFFFAOYSA-N 2 1 253.350 -0.051 20 0 CBADMP CCN(CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000886848430 656266813 /nfs/dbraw/zinc/26/68/13/656266813.db2.gz CMDSTICXYMVYSE-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000890066657 656270010 /nfs/dbraw/zinc/27/00/10/656270010.db2.gz XDAGCVLMTMDWQK-YPMHNXCESA-N 2 1 270.377 -0.554 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000890066657 656270013 /nfs/dbraw/zinc/27/00/13/656270013.db2.gz XDAGCVLMTMDWQK-YPMHNXCESA-N 2 1 270.377 -0.554 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000890066657 656270015 /nfs/dbraw/zinc/27/00/15/656270015.db2.gz XDAGCVLMTMDWQK-YPMHNXCESA-N 2 1 270.377 -0.554 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000896621693 656291575 /nfs/dbraw/zinc/29/15/75/656291575.db2.gz XBAJOTIDLSINMH-HZSPNIEDSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000896621693 656291576 /nfs/dbraw/zinc/29/15/76/656291576.db2.gz XBAJOTIDLSINMH-HZSPNIEDSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000896621693 656291580 /nfs/dbraw/zinc/29/15/80/656291580.db2.gz XBAJOTIDLSINMH-HZSPNIEDSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@H]1CN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC[N@@H+]1C ZINC000900846180 656313553 /nfs/dbraw/zinc/31/35/53/656313553.db2.gz FZEIPCFAQNNAMB-JSGCOSHPSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1CN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC[N@H+]1C ZINC000900846180 656313555 /nfs/dbraw/zinc/31/35/55/656313555.db2.gz FZEIPCFAQNNAMB-JSGCOSHPSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1CN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC[NH+]1C ZINC000900846180 656313557 /nfs/dbraw/zinc/31/35/57/656313557.db2.gz FZEIPCFAQNNAMB-JSGCOSHPSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1CN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC[NH+]1C ZINC000900846180 656313561 /nfs/dbraw/zinc/31/35/61/656313561.db2.gz FZEIPCFAQNNAMB-JSGCOSHPSA-N 2 1 269.389 -0.004 20 0 CBADMP O=C1NCC[C@H]1N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506564 656321892 /nfs/dbraw/zinc/32/18/92/656321892.db2.gz AXNARTNAQMLIOO-HZSPNIEDSA-N 2 1 278.400 -0.225 20 0 CBADMP NS(=O)(=O)[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903753244 656321902 /nfs/dbraw/zinc/32/19/02/656321902.db2.gz SIVNZVPGOHCARE-QWRGUYRKSA-N 2 1 261.391 -0.261 20 0 CBADMP NS(=O)(=O)[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903753244 656321906 /nfs/dbraw/zinc/32/19/06/656321906.db2.gz SIVNZVPGOHCARE-QWRGUYRKSA-N 2 1 261.391 -0.261 20 0 CBADMP CNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507402 656322259 /nfs/dbraw/zinc/32/22/59/656322259.db2.gz YHGFFHZTFXMOEO-BETUJISGSA-N 2 1 266.389 -0.367 20 0 CBADMP CNC(=O)[C@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903755243 656322553 /nfs/dbraw/zinc/32/25/53/656322553.db2.gz DEASRNISLMJFIX-CHWSQXEVSA-N 2 1 297.399 -0.408 20 0 CBADMP CNC(=O)[C@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903755243 656322556 /nfs/dbraw/zinc/32/25/56/656322556.db2.gz DEASRNISLMJFIX-CHWSQXEVSA-N 2 1 297.399 -0.408 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904300107 656324094 /nfs/dbraw/zinc/32/40/94/656324094.db2.gz WETGYHOTFGFACQ-UTUOFQBUSA-N 3 1 254.378 -0.489 20 0 CBADMP CC(C)NC(=O)C(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904305314 656324118 /nfs/dbraw/zinc/32/41/18/656324118.db2.gz KLPRGHACHUEGQU-TXEJJXNPSA-N 2 1 282.388 -0.608 20 0 CBADMP c1cc(N2CC[NH2+]CC2)oc1CN1CCNCC[NH2+]CC1 ZINC000904395754 656325855 /nfs/dbraw/zinc/32/58/55/656325855.db2.gz ATROAMMZWZAHQO-UHFFFAOYSA-N 2 1 293.415 -0.316 20 0 CBADMP [NH3+][C@H]1C[C@@H](CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000904381269 656325961 /nfs/dbraw/zinc/32/59/61/656325961.db2.gz RZNXJHUWTKJURL-BETUJISGSA-N 2 1 281.404 -0.634 20 0 CBADMP C[C@@H]1C[C@@H](C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)CC[NH2+]1 ZINC000904433923 656327615 /nfs/dbraw/zinc/32/76/15/656327615.db2.gz QWNTYEZOHNTVMV-GRYCIOLGSA-N 2 1 288.417 -0.791 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000904958757 656330450 /nfs/dbraw/zinc/33/04/50/656330450.db2.gz MQIZAUHWZCTULP-COPLHBTASA-N 2 1 282.388 -0.798 20 0 CBADMP COCC[N@@H+](C)CCC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905036307 656335783 /nfs/dbraw/zinc/33/57/83/656335783.db2.gz QYQSQBYWJJKUGV-LBPRGKRZSA-N 2 1 260.378 -0.180 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC000905110822 656339479 /nfs/dbraw/zinc/33/94/79/656339479.db2.gz OSRMUKKWYMXEHN-LBPRGKRZSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905343839 656350495 /nfs/dbraw/zinc/35/04/95/656350495.db2.gz GXAJKIYJCDSWSU-RYUDHWBXSA-N 2 1 260.378 -0.445 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905343365 656350571 /nfs/dbraw/zinc/35/05/71/656350571.db2.gz FJEANPCJLPDORG-CHWSQXEVSA-N 2 1 274.405 -0.055 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905343367 656350634 /nfs/dbraw/zinc/35/06/34/656350634.db2.gz FJEANPCJLPDORG-QWHCGFSZSA-N 2 1 274.405 -0.055 20 0 CBADMP O[C@H](C[NH2+]C[C@@H](O)C1(O)CCC1)C[NH+]1CCCC1 ZINC000905344596 656351147 /nfs/dbraw/zinc/35/11/47/656351147.db2.gz KHDGRHYWYJRUGL-VXGBXAGGSA-N 2 1 258.362 -0.691 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000905345098 656351327 /nfs/dbraw/zinc/35/13/27/656351327.db2.gz LIAKGMSFVCPUJO-RBSFLKMASA-N 2 1 282.384 -0.017 20 0 CBADMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000905345532 656351516 /nfs/dbraw/zinc/35/15/16/656351516.db2.gz NLSQVERHYSUXKD-OLZOCXBDSA-N 2 1 274.405 -0.198 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000905355054 656352784 /nfs/dbraw/zinc/35/27/84/656352784.db2.gz RJEUECDWNVTWIL-HZSPNIEDSA-N 2 1 268.357 -0.359 20 0 CBADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000905465533 656358525 /nfs/dbraw/zinc/35/85/25/656358525.db2.gz MFIUUFZDHWZWPU-LVQVYYBASA-N 2 1 294.395 -0.047 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000905465533 656358531 /nfs/dbraw/zinc/35/85/31/656358531.db2.gz MFIUUFZDHWZWPU-LVQVYYBASA-N 2 1 294.395 -0.047 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1)C1CC1 ZINC000905465374 656358850 /nfs/dbraw/zinc/35/88/50/656358850.db2.gz LCPWDWCMYUMHTO-ZRJCITRHSA-N 2 1 272.389 -0.305 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1)C1CC1 ZINC000905465374 656358856 /nfs/dbraw/zinc/35/88/56/656358856.db2.gz LCPWDWCMYUMHTO-ZRJCITRHSA-N 2 1 272.389 -0.305 20 0 CBADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000905465532 656359000 /nfs/dbraw/zinc/35/90/00/656359000.db2.gz MFIUUFZDHWZWPU-JONQDZQNSA-N 2 1 294.395 -0.047 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000905465532 656359002 /nfs/dbraw/zinc/35/90/02/656359002.db2.gz MFIUUFZDHWZWPU-JONQDZQNSA-N 2 1 294.395 -0.047 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000905494591 656360286 /nfs/dbraw/zinc/36/02/86/656360286.db2.gz YPXPUKVHZDQWTJ-YUSALJHKSA-N 2 1 256.346 -0.160 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000905494591 656360287 /nfs/dbraw/zinc/36/02/87/656360287.db2.gz YPXPUKVHZDQWTJ-YUSALJHKSA-N 2 1 256.346 -0.160 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CCCn1ccc(=O)[nH]c1=O)C1CC1 ZINC000905701866 656366070 /nfs/dbraw/zinc/36/60/70/656366070.db2.gz KREZFHQREUOZDG-LBPRGKRZSA-N 2 1 296.371 -0.616 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCn1ccc(=O)[nH]c1=O)C1CC1 ZINC000905701866 656366072 /nfs/dbraw/zinc/36/60/72/656366072.db2.gz KREZFHQREUOZDG-LBPRGKRZSA-N 2 1 296.371 -0.616 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@H](C2CC2)[NH+](C)C)C1 ZINC000906339446 656385743 /nfs/dbraw/zinc/38/57/43/656385743.db2.gz UFSDDYWKQFMPHE-CQSZACIVSA-N 2 1 282.432 -0.064 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906471121 656388166 /nfs/dbraw/zinc/38/81/66/656388166.db2.gz SJBMBVNNMLFQSU-UHFFFAOYSA-N 2 1 279.388 -0.199 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906471121 656388167 /nfs/dbraw/zinc/38/81/67/656388167.db2.gz SJBMBVNNMLFQSU-UHFFFAOYSA-N 2 1 279.388 -0.199 20 0 CBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906646637 656395584 /nfs/dbraw/zinc/39/55/84/656395584.db2.gz USMYBFAAEAAMTL-NSHDSACASA-N 2 1 276.340 -0.096 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996300193 656407073 /nfs/dbraw/zinc/40/70/73/656407073.db2.gz KDLDJBBHLFQFHG-RYUDHWBXSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996517077 656417643 /nfs/dbraw/zinc/41/76/43/656417643.db2.gz DEFOMPVJKWXMER-NEPJUHHUSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996614398 656446727 /nfs/dbraw/zinc/44/67/27/656446727.db2.gz NCBVPEOCHISPKC-MNOVXSKESA-N 2 1 282.388 -0.750 20 0 CBADMP O=C([C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]CCO)CC1 ZINC000996619010 656447017 /nfs/dbraw/zinc/44/70/17/656447017.db2.gz JCUPSFNNIBPOKO-KGLIPLIRSA-N 2 1 297.399 -0.578 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996610792 656447375 /nfs/dbraw/zinc/44/73/75/656447375.db2.gz KNKOKGMNNXWRPB-VXGBXAGGSA-N 2 1 269.389 -0.243 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996692800 656452993 /nfs/dbraw/zinc/45/29/93/656452993.db2.gz YNNJAGNPDHQBIY-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996692801 656453732 /nfs/dbraw/zinc/45/37/32/656453732.db2.gz YNNJAGNPDHQBIY-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)N2CCC([NH2+]CCO)CC2)no1 ZINC000996747767 656455297 /nfs/dbraw/zinc/45/52/97/656455297.db2.gz OFUGBPHGVHKEBB-UHFFFAOYSA-N 2 1 296.371 -0.077 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CCO)CC1 ZINC000997009934 656463843 /nfs/dbraw/zinc/46/38/43/656463843.db2.gz RGGCLMVWXSDNOX-WCQYABFASA-N 2 1 269.389 -0.243 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NCC[NH+]2CCC2)C1 ZINC000907107440 656468893 /nfs/dbraw/zinc/46/88/93/656468893.db2.gz SXKPETMUXFVGKY-UHFFFAOYSA-N 2 1 254.378 -0.698 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000997300718 656472467 /nfs/dbraw/zinc/47/24/67/656472467.db2.gz WNSXDPPHLMQSKZ-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NCC2=CC[NH+](C)CC2)C1 ZINC000907226616 656476454 /nfs/dbraw/zinc/47/64/54/656476454.db2.gz IYUVHCGWHNXQNZ-UHFFFAOYSA-N 2 1 280.416 -0.142 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NCC2=CC[N@H+](C)CC2)C1 ZINC000907226616 656476458 /nfs/dbraw/zinc/47/64/58/656476458.db2.gz IYUVHCGWHNXQNZ-UHFFFAOYSA-N 2 1 280.416 -0.142 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NCC2=CC[N@@H+](C)CC2)C1 ZINC000907226616 656476459 /nfs/dbraw/zinc/47/64/59/656476459.db2.gz IYUVHCGWHNXQNZ-UHFFFAOYSA-N 2 1 280.416 -0.142 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CC(N)=O)CC1 ZINC000997515137 656483257 /nfs/dbraw/zinc/48/32/57/656483257.db2.gz JAHVHJSMYDFKQQ-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP Cn1cncc1CCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000907308511 656485953 /nfs/dbraw/zinc/48/59/53/656485953.db2.gz UPKYKNKSWSFCOJ-AWEZNQCLSA-N 2 1 280.372 -0.074 20 0 CBADMP C[NH+](C)CCn1nccc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000907389614 656499978 /nfs/dbraw/zinc/49/99/78/656499978.db2.gz RSYDEHJAGKGNIF-CQSZACIVSA-N 2 1 295.387 -0.759 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)C12CC[NH+](CC1)C2 ZINC000907614173 656541170 /nfs/dbraw/zinc/54/11/70/656541170.db2.gz VIEMOVRKEDLTEO-UHFFFAOYSA-N 2 1 267.373 -0.079 20 0 CBADMP CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998583205 656548505 /nfs/dbraw/zinc/54/85/05/656548505.db2.gz QNWCNEPQXUYQRB-MCIGGMRASA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998583205 656548516 /nfs/dbraw/zinc/54/85/16/656548516.db2.gz QNWCNEPQXUYQRB-MCIGGMRASA-N 2 1 255.362 -0.084 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2CCC3(C[NH+](C)C3)C2)C1 ZINC000907762585 656572180 /nfs/dbraw/zinc/57/21/80/656572180.db2.gz GVMRGTBKZXSBSU-UHFFFAOYSA-N 2 1 280.416 -0.356 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000998724016 656572584 /nfs/dbraw/zinc/57/25/84/656572584.db2.gz UAOCSDXPIWJZLT-MNOVXSKESA-N 2 1 268.361 -0.854 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)C[C@@]3(O)CCC[NH+](C)C3)C[C@H]2C1 ZINC000907805198 656581294 /nfs/dbraw/zinc/58/12/94/656581294.db2.gz PGUGHDIXBCJDCY-GUTXKFCHSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)C[C@@]3(O)CCC[N@H+](C)C3)C[C@H]2C1 ZINC000907805198 656581303 /nfs/dbraw/zinc/58/13/03/656581303.db2.gz PGUGHDIXBCJDCY-GUTXKFCHSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)C[C@@]3(O)CCC[N@@H+](C)C3)C[C@H]2C1 ZINC000907805198 656581312 /nfs/dbraw/zinc/58/13/12/656581312.db2.gz PGUGHDIXBCJDCY-GUTXKFCHSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC000998795567 656585681 /nfs/dbraw/zinc/58/56/81/656585681.db2.gz ITHYSLFUWGQGSS-HBIQZDMRSA-N 2 1 282.388 -0.609 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999146467 656612946 /nfs/dbraw/zinc/61/29/46/656612946.db2.gz WJGGGTFIWSTEDC-QWHCGFSZSA-N 2 1 296.415 -0.075 20 0 CBADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC([NH2+]CC(N)=O)C1 ZINC000999403052 656628093 /nfs/dbraw/zinc/62/80/93/656628093.db2.gz MHOHIUGVRCJWPP-UHFFFAOYSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000999404449 656628356 /nfs/dbraw/zinc/62/83/56/656628356.db2.gz WROLMDSUMVKQAB-UNXYVOJBSA-N 2 1 282.388 -0.465 20 0 CBADMP CCN1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)[C@@H](C)C1 ZINC000908136249 656653458 /nfs/dbraw/zinc/65/34/58/656653458.db2.gz BKDVZRCFDJORJH-OBJOEFQTSA-N 2 1 269.389 -0.006 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+][C@H](C)C(N)=O)C1 ZINC000999838884 656656298 /nfs/dbraw/zinc/65/62/98/656656298.db2.gz ZTOQLQJHVCCNQJ-OIKLOGQESA-N 2 1 293.371 -0.356 20 0 CBADMP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000908200268 656665540 /nfs/dbraw/zinc/66/55/40/656665540.db2.gz IDPLPMYGCNGFJO-GHMZBOCLSA-N 2 1 257.378 -0.102 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000908204395 656671340 /nfs/dbraw/zinc/67/13/40/656671340.db2.gz VFABHNIWLMLRQX-RGCMKSIDSA-N 2 1 297.399 -0.891 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908204395 656671343 /nfs/dbraw/zinc/67/13/43/656671343.db2.gz VFABHNIWLMLRQX-RGCMKSIDSA-N 2 1 297.399 -0.891 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000908204395 656671354 /nfs/dbraw/zinc/67/13/54/656671354.db2.gz VFABHNIWLMLRQX-RGCMKSIDSA-N 2 1 297.399 -0.891 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908206965 656673749 /nfs/dbraw/zinc/67/37/49/656673749.db2.gz CZKJBBKMHZGJAK-SCRDCRAPSA-N 2 1 285.388 -0.986 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908206965 656673776 /nfs/dbraw/zinc/67/37/76/656673776.db2.gz CZKJBBKMHZGJAK-SCRDCRAPSA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000198854 656702800 /nfs/dbraw/zinc/70/28/00/656702800.db2.gz LMPNWRUUTBKYSX-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@]3(O)CCC[NH+](C)C3)[C@@H]2C1 ZINC000908346423 656711037 /nfs/dbraw/zinc/71/10/37/656711037.db2.gz GYCMTEIAERWNLZ-GUTXKFCHSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1C[C@@H]2CCN(C(=O)C[C@@]3(O)CCC[N@H+](C)C3)[C@@H]2C1 ZINC000908346423 656711045 /nfs/dbraw/zinc/71/10/45/656711045.db2.gz GYCMTEIAERWNLZ-GUTXKFCHSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1C[C@@H]2CCN(C(=O)C[C@@]3(O)CCC[N@@H+](C)C3)[C@@H]2C1 ZINC000908346423 656711054 /nfs/dbraw/zinc/71/10/54/656711054.db2.gz GYCMTEIAERWNLZ-GUTXKFCHSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000908363563 656712825 /nfs/dbraw/zinc/71/28/25/656712825.db2.gz RCLLAUXHDGSHCC-QEJZJMRPSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)C2)C1 ZINC000908363563 656712829 /nfs/dbraw/zinc/71/28/29/656712829.db2.gz RCLLAUXHDGSHCC-QEJZJMRPSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)C2)C1 ZINC000908363563 656712833 /nfs/dbraw/zinc/71/28/33/656712833.db2.gz RCLLAUXHDGSHCC-QEJZJMRPSA-N 2 1 281.400 -0.004 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001000458760 656716787 /nfs/dbraw/zinc/71/67/87/656716787.db2.gz BMJMINXINOGKRF-CYBMUJFWSA-N 2 1 285.388 -0.718 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001000462955 656718360 /nfs/dbraw/zinc/71/83/60/656718360.db2.gz UOZYCEITWXBREL-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1=CC[NH+](CCO)CC1 ZINC001000517329 656733049 /nfs/dbraw/zinc/73/30/49/656733049.db2.gz GMWXYZHVYLZERN-CYBMUJFWSA-N 2 1 267.373 -0.179 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCC1=CC[N@H+](CCO)CC1 ZINC001000517329 656733059 /nfs/dbraw/zinc/73/30/59/656733059.db2.gz GMWXYZHVYLZERN-CYBMUJFWSA-N 2 1 267.373 -0.179 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001000517329 656733074 /nfs/dbraw/zinc/73/30/74/656733074.db2.gz GMWXYZHVYLZERN-CYBMUJFWSA-N 2 1 267.373 -0.179 20 0 CBADMP CN1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000908539879 656745930 /nfs/dbraw/zinc/74/59/30/656745930.db2.gz DHKKOVIXSCKRNL-UMVBOHGHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000908539879 656745934 /nfs/dbraw/zinc/74/59/34/656745934.db2.gz DHKKOVIXSCKRNL-UMVBOHGHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000908539879 656745939 /nfs/dbraw/zinc/74/59/39/656745939.db2.gz DHKKOVIXSCKRNL-UMVBOHGHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000908539879 656745943 /nfs/dbraw/zinc/74/59/43/656745943.db2.gz DHKKOVIXSCKRNL-UMVBOHGHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000687713 656759151 /nfs/dbraw/zinc/75/91/51/656759151.db2.gz HMPKOMLQPDHLNQ-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP 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 656784407 /nfs/dbraw/zinc/78/44/07/656784407.db2.gz OOADWPXKVBDQAA-YCGPCKTQSA-N 2 1 267.373 -0.540 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CC[NH+](CCO)CC1 ZINC001001151137 656801240 /nfs/dbraw/zinc/80/12/40/656801240.db2.gz LCWZJFCRQMWWHM-TZMCWYRMSA-N 2 1 281.400 -0.075 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCC1=CC[N@H+](CCO)CC1 ZINC001001151137 656801245 /nfs/dbraw/zinc/80/12/45/656801245.db2.gz LCWZJFCRQMWWHM-TZMCWYRMSA-N 2 1 281.400 -0.075 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001001151137 656801247 /nfs/dbraw/zinc/80/12/47/656801247.db2.gz LCWZJFCRQMWWHM-TZMCWYRMSA-N 2 1 281.400 -0.075 20 0 CBADMP CNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001001237717 656804563 /nfs/dbraw/zinc/80/45/63/656804563.db2.gz JNHPZYDIRGKPIM-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001001262124 656804907 /nfs/dbraw/zinc/80/49/07/656804907.db2.gz BMIFDBSHAIUPON-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001001446697 656811563 /nfs/dbraw/zinc/81/15/63/656811563.db2.gz RTVQEUJMQYMNTF-WCQYABFASA-N 2 1 294.399 -0.440 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001001446697 656811567 /nfs/dbraw/zinc/81/15/67/656811567.db2.gz RTVQEUJMQYMNTF-WCQYABFASA-N 2 1 294.399 -0.440 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001001446697 656811569 /nfs/dbraw/zinc/81/15/69/656811569.db2.gz RTVQEUJMQYMNTF-WCQYABFASA-N 2 1 294.399 -0.440 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001001446697 656811570 /nfs/dbraw/zinc/81/15/70/656811570.db2.gz RTVQEUJMQYMNTF-WCQYABFASA-N 2 1 294.399 -0.440 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001001539868 656813568 /nfs/dbraw/zinc/81/35/68/656813568.db2.gz WKUFVYHDPPRJDG-CYBMUJFWSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001002462423 656834430 /nfs/dbraw/zinc/83/44/30/656834430.db2.gz UJXWOAUWPDFTOF-ZYHUDNBSSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002462423 656834436 /nfs/dbraw/zinc/83/44/36/656834436.db2.gz UJXWOAUWPDFTOF-ZYHUDNBSSA-N 2 1 282.388 -0.465 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001002478383 656834984 /nfs/dbraw/zinc/83/49/84/656834984.db2.gz CGNZZMZUCPTATR-QWHCGFSZSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001002478383 656834986 /nfs/dbraw/zinc/83/49/86/656834986.db2.gz CGNZZMZUCPTATR-QWHCGFSZSA-N 2 1 294.399 -0.450 20 0 CBADMP O=C(NC1CC[NH+](CCO)CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001002875605 656842822 /nfs/dbraw/zinc/84/28/22/656842822.db2.gz NTZYPJUSTHYFLD-KGLIPLIRSA-N 2 1 297.399 -0.578 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001003159891 656850933 /nfs/dbraw/zinc/85/09/33/656850933.db2.gz OQULAQRATRVTSO-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001003159891 656850938 /nfs/dbraw/zinc/85/09/38/656850938.db2.gz OQULAQRATRVTSO-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)(C(=O)NC1CC[NH+](CC(N)=O)CC1)[NH+]1CCCC1 ZINC001003423205 656858290 /nfs/dbraw/zinc/85/82/90/656858290.db2.gz ATTLJWBUHUSAPV-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC(C(=O)NC2CC[NH+](CC(N)=O)CC2)CC1 ZINC001003543931 656862708 /nfs/dbraw/zinc/86/27/08/656862708.db2.gz JZVJZHKKEUIFGY-UHFFFAOYSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001003624638 656865101 /nfs/dbraw/zinc/86/51/01/656865101.db2.gz RZTHQUHOKJOONC-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001003624638 656865104 /nfs/dbraw/zinc/86/51/04/656865104.db2.gz RZTHQUHOKJOONC-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001003625030 656866208 /nfs/dbraw/zinc/86/62/08/656866208.db2.gz ZMPZQRSRCNIRPD-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001003625030 656866213 /nfs/dbraw/zinc/86/62/13/656866213.db2.gz ZMPZQRSRCNIRPD-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000910553480 656873525 /nfs/dbraw/zinc/87/35/25/656873525.db2.gz DUCLEMBDTSMXHF-NSHDSACASA-N 2 1 270.377 -0.783 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000910553480 656873530 /nfs/dbraw/zinc/87/35/30/656873530.db2.gz DUCLEMBDTSMXHF-NSHDSACASA-N 2 1 270.377 -0.783 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000910597941 656877140 /nfs/dbraw/zinc/87/71/40/656877140.db2.gz WAAMGSNSTOJVEJ-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000910597941 656877143 /nfs/dbraw/zinc/87/71/43/656877143.db2.gz WAAMGSNSTOJVEJ-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000910597940 656877368 /nfs/dbraw/zinc/87/73/68/656877368.db2.gz WAAMGSNSTOJVEJ-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000910597940 656877371 /nfs/dbraw/zinc/87/73/71/656877371.db2.gz WAAMGSNSTOJVEJ-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003979501 656878673 /nfs/dbraw/zinc/87/86/73/656878673.db2.gz NIWOUKMUIXOTMD-UHFFFAOYSA-N 2 1 294.399 -0.591 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001004144917 656881329 /nfs/dbraw/zinc/88/13/29/656881329.db2.gz REWCSANQOQTSQF-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001004144917 656881331 /nfs/dbraw/zinc/88/13/31/656881331.db2.gz REWCSANQOQTSQF-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004150320 656881634 /nfs/dbraw/zinc/88/16/34/656881634.db2.gz RAXFJIZNDWSXAK-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004150249 656881731 /nfs/dbraw/zinc/88/17/31/656881731.db2.gz QRONHAAIQQJLMP-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004145875 656881876 /nfs/dbraw/zinc/88/18/76/656881876.db2.gz WKPYSMXOZDNYQY-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004145875 656881878 /nfs/dbraw/zinc/88/18/78/656881878.db2.gz WKPYSMXOZDNYQY-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C1CC1 ZINC000910699611 656885959 /nfs/dbraw/zinc/88/59/59/656885959.db2.gz NHNPRRBSARAVDT-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C1CC1 ZINC000910699611 656885961 /nfs/dbraw/zinc/88/59/61/656885961.db2.gz NHNPRRBSARAVDT-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000910699611 656885962 /nfs/dbraw/zinc/88/59/62/656885962.db2.gz NHNPRRBSARAVDT-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000910699611 656885965 /nfs/dbraw/zinc/88/59/65/656885965.db2.gz NHNPRRBSARAVDT-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CCN1CC)[C@H]1CC[N@@H+](C)C1 ZINC000910735897 656887435 /nfs/dbraw/zinc/88/74/35/656887435.db2.gz GWIHLOUZHGBJPL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[NH+]1CC)[C@H]1CC[N@H+](C)C1 ZINC000910735897 656887438 /nfs/dbraw/zinc/88/74/38/656887438.db2.gz GWIHLOUZHGBJPL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[NH+]1CC)[C@H]1CC[N@@H+](C)C1 ZINC000910735897 656887442 /nfs/dbraw/zinc/88/74/42/656887442.db2.gz GWIHLOUZHGBJPL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@H+]1CC)[C@H]1CC[NH+](C)C1 ZINC000910735897 656887444 /nfs/dbraw/zinc/88/74/44/656887444.db2.gz GWIHLOUZHGBJPL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](CCCO)CC1 ZINC001005208080 656895374 /nfs/dbraw/zinc/89/53/74/656895374.db2.gz BABGXANPPVKETA-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCCO)CC1 ZINC001005208080 656895375 /nfs/dbraw/zinc/89/53/75/656895375.db2.gz BABGXANPPVKETA-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CC(N)=O)CC2)CC[N@@H+]1C ZINC001005406823 656899590 /nfs/dbraw/zinc/89/95/90/656899590.db2.gz GSAKBECPSHVMRW-DGCLKSJQSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CC(N)=O)CC2)CC[N@H+]1C ZINC001005406823 656899591 /nfs/dbraw/zinc/89/95/91/656899591.db2.gz GSAKBECPSHVMRW-DGCLKSJQSA-N 2 1 296.415 -0.265 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NCC2([NH+](C)C)CC2)C1 ZINC000910926419 656903056 /nfs/dbraw/zinc/90/30/56/656903056.db2.gz BSZYXKQIQFLUJF-UHFFFAOYSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000911007932 656928752 /nfs/dbraw/zinc/92/87/52/656928752.db2.gz LFCLZQSFQSMWNL-VOAKCMCISA-N 2 1 296.415 -0.443 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+])C1CC1 ZINC000911061421 656938289 /nfs/dbraw/zinc/93/82/89/656938289.db2.gz REZZJYXUWMWFQF-ABAIWWIYSA-N 2 1 294.399 -0.463 20 0 CBADMP CC1(C)CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1[NH3+] ZINC000911072239 656939560 /nfs/dbraw/zinc/93/95/60/656939560.db2.gz HOUCSAIRBNKHKT-JQWIXIFHSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006399483 656945530 /nfs/dbraw/zinc/94/55/30/656945530.db2.gz KYDOMCLRVGGFHK-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006399483 656945536 /nfs/dbraw/zinc/94/55/36/656945536.db2.gz KYDOMCLRVGGFHK-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCO)CC1 ZINC001006401367 656946118 /nfs/dbraw/zinc/94/61/18/656946118.db2.gz QZZQUXUSGQENJM-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001006405341 656946677 /nfs/dbraw/zinc/94/66/77/656946677.db2.gz DSODHKJLLDGEFU-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911138558 656960334 /nfs/dbraw/zinc/96/03/34/656960334.db2.gz RZNAWADDYCLNAR-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911138355 656961271 /nfs/dbraw/zinc/96/12/71/656961271.db2.gz OGPUWJKSQGHBAP-GFCCVEGCSA-N 2 1 293.371 -0.495 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911144509 656962771 /nfs/dbraw/zinc/96/27/71/656962771.db2.gz AAYYQMACKONBOW-UZWSLXQKSA-N 2 1 294.399 -0.561 20 0 CBADMP 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 656963194 /nfs/dbraw/zinc/96/31/94/656963194.db2.gz MZKDOZOUTTZUQW-DNIRFERGSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911144508 656963676 /nfs/dbraw/zinc/96/36/76/656963676.db2.gz AAYYQMACKONBOW-PRULPYPASA-N 2 1 294.399 -0.561 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000911147754 656964023 /nfs/dbraw/zinc/96/40/23/656964023.db2.gz SNCIVOOYXUQZDC-DNIRFERGSA-N 2 1 294.399 -0.691 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000911186680 656975627 /nfs/dbraw/zinc/97/56/27/656975627.db2.gz KJBYNOGSLKTBLE-NEPJUHHUSA-N 2 1 296.415 -0.441 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911185679 656975886 /nfs/dbraw/zinc/97/58/86/656975886.db2.gz BLSVEEDBZFKYLT-YVECIDJPSA-N 2 1 296.415 -0.158 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C1CC1 ZINC000911186341 656975943 /nfs/dbraw/zinc/97/59/43/656975943.db2.gz HCMYUMDYTPLOIM-XYPYZODXSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911185974 656975946 /nfs/dbraw/zinc/97/59/46/656975946.db2.gz DZUYMLHQVUWRGH-SRVKXCTJSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC1 ZINC000911188263 656977718 /nfs/dbraw/zinc/97/77/18/656977718.db2.gz SPPWUWHFJQWSQE-KGYLQXTDSA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[N@@H+](C)C1CC1 ZINC000911206603 656984884 /nfs/dbraw/zinc/98/48/84/656984884.db2.gz QZRKEQGPPTVCKB-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[N@@H+](C)C1CC1 ZINC000911204817 656984914 /nfs/dbraw/zinc/98/49/14/656984914.db2.gz HUNOZZPKTBXKFQ-LYIQGSDWSA-N 2 1 294.399 -0.406 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000911214437 656987389 /nfs/dbraw/zinc/98/73/89/656987389.db2.gz FBPPAIFQESVKAR-FDYHWXHSSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@H](NC(=O)C(=O)NCC1([NH3+])CC1)C1=CC[N@@H+](C)CC1 ZINC000911220642 656991005 /nfs/dbraw/zinc/99/10/05/656991005.db2.gz XJKSSJVWAPVMFR-JTQLQIEISA-N 2 1 280.372 -0.640 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000911223672 656991292 /nfs/dbraw/zinc/99/12/92/656991292.db2.gz RDNZBADCJCEMJW-RAIGVLPGSA-N 2 1 294.399 -0.689 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911255898 656999323 /nfs/dbraw/zinc/99/93/23/656999323.db2.gz NVEDOEZKSULELV-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000911269698 657003958 /nfs/dbraw/zinc/00/39/58/657003958.db2.gz OGPBBRPKFPIKJK-GHMZBOCLSA-N 2 1 280.372 -0.663 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000911270375 657005292 /nfs/dbraw/zinc/00/52/92/657005292.db2.gz LFTLAUNMJIOUTI-UHFFFAOYSA-N 2 1 293.371 -0.356 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CC(N)=O)C2)CC[N@H+]1C ZINC001007368067 657007234 /nfs/dbraw/zinc/00/72/34/657007234.db2.gz AGYOUSZXBNVZIL-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP Cc1cccc(NCCNC(=O)C(=O)NCC2C[NH2+]C2)[nH+]1 ZINC000911288159 657011217 /nfs/dbraw/zinc/01/12/17/657011217.db2.gz LOWPWNINMRUMEO-UHFFFAOYSA-N 2 1 291.355 -0.746 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000911302664 657015016 /nfs/dbraw/zinc/01/50/16/657015016.db2.gz JZQJUXXXAZWSKH-UHFFFAOYSA-N 2 1 296.415 -0.168 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)C[C@]2(C)C1 ZINC000911299575 657015042 /nfs/dbraw/zinc/01/50/42/657015042.db2.gz ZYXJPXAIHDTENL-JMSVASOKSA-N 2 1 294.399 -0.750 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911312871 657018394 /nfs/dbraw/zinc/01/83/94/657018394.db2.gz NXYRTBLIFWFPIO-JOCQHMNTSA-N 2 1 298.431 -0.066 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911337341 657022286 /nfs/dbraw/zinc/02/22/86/657022286.db2.gz RCBILZITSGNKSP-UMSGYPCISA-N 2 1 294.399 -0.404 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911337342 657022582 /nfs/dbraw/zinc/02/25/82/657022582.db2.gz RCBILZITSGNKSP-WUHRBBMRSA-N 2 1 294.399 -0.404 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911337084 657022727 /nfs/dbraw/zinc/02/27/27/657022727.db2.gz PVJVCYXILLFBGI-JTQLQIEISA-N 2 1 268.361 -0.806 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001007950742 657027093 /nfs/dbraw/zinc/02/70/93/657027093.db2.gz IAFHFUUKUQVENM-GFCCVEGCSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001007950742 657027098 /nfs/dbraw/zinc/02/70/98/657027098.db2.gz IAFHFUUKUQVENM-GFCCVEGCSA-N 2 1 266.345 -0.236 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCCC(C)(C)[NH3+])C[C@]2(C)C1 ZINC000911364349 657027195 /nfs/dbraw/zinc/02/71/95/657027195.db2.gz GCXJZLPQQGLXCH-ABAIWWIYSA-N 2 1 296.415 -0.360 20 0 CBADMP 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 657028824 /nfs/dbraw/zinc/02/88/24/657028824.db2.gz LFOICIHBLWUYMY-FDYHWXHSSA-N 2 1 296.415 -0.348 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911381133 657033090 /nfs/dbraw/zinc/03/30/90/657033090.db2.gz ROJVRHPAXREGQJ-FRRDWIJNSA-N 2 1 296.415 -0.441 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503178 657057339 /nfs/dbraw/zinc/05/73/39/657057339.db2.gz MLRKPPHCIQIQIM-NWDGAFQWSA-N 2 1 294.399 -0.463 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])CC3)CC[C@@H]21 ZINC000911504729 657058844 /nfs/dbraw/zinc/05/88/44/657058844.db2.gz NNLPHRYTCKUBEO-RYUDHWBXSA-N 2 1 294.399 -0.463 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911505417 657059242 /nfs/dbraw/zinc/05/92/42/657059242.db2.gz CRVHFPJDWIDHQK-JTQLQIEISA-N 2 1 282.388 -0.417 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)[C@H](C)C1 ZINC000911505386 657059437 /nfs/dbraw/zinc/05/94/37/657059437.db2.gz BXVUNCOKRQTOOS-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000911513035 657062781 /nfs/dbraw/zinc/06/27/81/657062781.db2.gz CAHKAWULOWEJSJ-UKRRQHHQSA-N 2 1 297.399 -0.889 20 0 CBADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000911513035 657062786 /nfs/dbraw/zinc/06/27/86/657062786.db2.gz CAHKAWULOWEJSJ-UKRRQHHQSA-N 2 1 297.399 -0.889 20 0 CBADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000911513035 657062792 /nfs/dbraw/zinc/06/27/92/657062792.db2.gz CAHKAWULOWEJSJ-UKRRQHHQSA-N 2 1 297.399 -0.889 20 0 CBADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000911513035 657062795 /nfs/dbraw/zinc/06/27/95/657062795.db2.gz CAHKAWULOWEJSJ-UKRRQHHQSA-N 2 1 297.399 -0.889 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001009197192 657069004 /nfs/dbraw/zinc/06/90/04/657069004.db2.gz BGMZYZFPLSDBEM-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001009197192 657069011 /nfs/dbraw/zinc/06/90/11/657069011.db2.gz BGMZYZFPLSDBEM-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001009197192 657069014 /nfs/dbraw/zinc/06/90/14/657069014.db2.gz BGMZYZFPLSDBEM-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911532054 657069777 /nfs/dbraw/zinc/06/97/77/657069777.db2.gz JOLDVFUQXDGJBB-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1(C)C ZINC000911535346 657070398 /nfs/dbraw/zinc/07/03/98/657070398.db2.gz QFVGSSKFNZVVEI-LLVKDONJSA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1(C)C ZINC000911535346 657070401 /nfs/dbraw/zinc/07/04/01/657070401.db2.gz QFVGSSKFNZVVEI-LLVKDONJSA-N 2 1 296.415 -0.347 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000911535099 657070463 /nfs/dbraw/zinc/07/04/63/657070463.db2.gz ZIFPCIWNHAIKFG-UHFFFAOYSA-N 2 1 282.388 -0.734 20 0 CBADMP 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 657074059 /nfs/dbraw/zinc/07/40/59/657074059.db2.gz LRRJHPOSZUWBKZ-UMSGYPCISA-N 2 1 294.399 -0.452 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911548866 657074767 /nfs/dbraw/zinc/07/47/67/657074767.db2.gz BHKCJGJSHZKGCX-MROQNXINSA-N 2 1 294.399 -0.404 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1(C)C ZINC000911562402 657079343 /nfs/dbraw/zinc/07/93/43/657079343.db2.gz BGVRYEIFYOMGMT-XYPYZODXSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1(C)C ZINC000911562402 657079345 /nfs/dbraw/zinc/07/93/45/657079345.db2.gz BGVRYEIFYOMGMT-XYPYZODXSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H](CCNC(=O)C1CN(C)CC[N@@H+](C)C1)[NH+](C)C ZINC000912386180 657248267 /nfs/dbraw/zinc/24/82/67/657248267.db2.gz CERQBHLSWIXHNJ-LBPRGKRZSA-N 2 1 270.421 -0.064 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000912603769 657292560 /nfs/dbraw/zinc/29/25/60/657292560.db2.gz CBKXRTRHLSJPJC-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000912603769 657292564 /nfs/dbraw/zinc/29/25/64/657292564.db2.gz CBKXRTRHLSJPJC-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000912603769 657292566 /nfs/dbraw/zinc/29/25/66/657292566.db2.gz CBKXRTRHLSJPJC-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](C(=O)N(C)CC[N@H+](C)CCO)[NH+]1CCSCC1 ZINC000912606937 657295670 /nfs/dbraw/zinc/29/56/70/657295670.db2.gz IUOWVIPBJOGZLA-GFCCVEGCSA-N 2 1 289.445 -0.194 20 0 CBADMP C[C@H](C(=O)N(C)CC[N@@H+](C)CCO)[NH+]1CCSCC1 ZINC000912606937 657295673 /nfs/dbraw/zinc/29/56/73/657295673.db2.gz IUOWVIPBJOGZLA-GFCCVEGCSA-N 2 1 289.445 -0.194 20 0 CBADMP C[C@H](C(=O)N(C)CC[N@H+](C)CCO)N1CC[NH+](C)CC1 ZINC000912607019 657296414 /nfs/dbraw/zinc/29/64/14/657296414.db2.gz OQAGTUFHPLHSRW-CYBMUJFWSA-N 2 1 286.420 -0.995 20 0 CBADMP C[C@H](C(=O)N(C)CC[N@@H+](C)CCO)N1CC[NH+](C)CC1 ZINC000912607019 657296415 /nfs/dbraw/zinc/29/64/15/657296415.db2.gz OQAGTUFHPLHSRW-CYBMUJFWSA-N 2 1 286.420 -0.995 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000912612221 657299988 /nfs/dbraw/zinc/29/99/88/657299988.db2.gz KPBYQRZYQMWXCM-CQSZACIVSA-N 2 1 287.404 -0.784 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000912612221 657299992 /nfs/dbraw/zinc/29/99/92/657299992.db2.gz KPBYQRZYQMWXCM-CQSZACIVSA-N 2 1 287.404 -0.784 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000912612221 657299997 /nfs/dbraw/zinc/29/99/97/657299997.db2.gz KPBYQRZYQMWXCM-CQSZACIVSA-N 2 1 287.404 -0.784 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C)C[C@@H]2CO)CC[N@H+]1C ZINC000912735629 657317983 /nfs/dbraw/zinc/31/79/83/657317983.db2.gz CBBCIPVOYYXNOA-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2CO)CC[N@@H+]1C ZINC000912735629 657317991 /nfs/dbraw/zinc/31/79/91/657317991.db2.gz CBBCIPVOYYXNOA-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2CO)CC[N@H+]1C ZINC000912735629 657317999 /nfs/dbraw/zinc/31/79/99/657317999.db2.gz CBBCIPVOYYXNOA-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)CC[NH+]1C ZINC000912735629 657318003 /nfs/dbraw/zinc/31/80/03/657318003.db2.gz CBBCIPVOYYXNOA-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC[NH+]1C ZINC000912735629 657318009 /nfs/dbraw/zinc/31/80/09/657318009.db2.gz CBBCIPVOYYXNOA-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)C[C@@H]2CO)CC[N@@H+]1C ZINC000912736124 657319659 /nfs/dbraw/zinc/31/96/59/657319659.db2.gz NVEYLSXEYZANIN-IJLUTSLNSA-N 2 1 255.362 -0.539 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)C[C@@H]2CO)CC[N@H+]1C ZINC000912736124 657319668 /nfs/dbraw/zinc/31/96/68/657319668.db2.gz NVEYLSXEYZANIN-IJLUTSLNSA-N 2 1 255.362 -0.539 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)CC[NH+]1C ZINC000912736124 657319678 /nfs/dbraw/zinc/31/96/78/657319678.db2.gz NVEYLSXEYZANIN-IJLUTSLNSA-N 2 1 255.362 -0.539 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC[NH+]1C ZINC000912736124 657319689 /nfs/dbraw/zinc/31/96/89/657319689.db2.gz NVEYLSXEYZANIN-IJLUTSLNSA-N 2 1 255.362 -0.539 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC[NH2+]1 ZINC000912766052 657340752 /nfs/dbraw/zinc/34/07/52/657340752.db2.gz OVKQGWYMBJBTNN-DYEKYZERSA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)N1CC[NH+](C)CC1 ZINC000912915849 657359404 /nfs/dbraw/zinc/35/94/04/657359404.db2.gz KEZHMGYDBRJVBN-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001014457091 657361481 /nfs/dbraw/zinc/36/14/81/657361481.db2.gz OZCXYOGUPZHUTE-KBPBESRZSA-N 2 1 281.400 -0.099 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001014457118 657361916 /nfs/dbraw/zinc/36/19/16/657361916.db2.gz OZCXYOGUPZHUTE-ZIAGYGMSSA-N 2 1 281.400 -0.099 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCO)C2)CC[N@H+]1C ZINC001014499809 657362699 /nfs/dbraw/zinc/36/26/99/657362699.db2.gz FVAQRWHYBBPCCY-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCO)C2)CC[NH+]1C ZINC001014499809 657362702 /nfs/dbraw/zinc/36/27/02/657362702.db2.gz FVAQRWHYBBPCCY-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001014499809 657362707 /nfs/dbraw/zinc/36/27/07/657362707.db2.gz FVAQRWHYBBPCCY-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001015295211 657431701 /nfs/dbraw/zinc/43/17/01/657431701.db2.gz QIKIOEFVGBWWIR-RYUDHWBXSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001015295211 657431705 /nfs/dbraw/zinc/43/17/05/657431705.db2.gz QIKIOEFVGBWWIR-RYUDHWBXSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001015295201 657432567 /nfs/dbraw/zinc/43/25/67/657432567.db2.gz QIKIOEFVGBWWIR-NEPJUHHUSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001015295201 657432572 /nfs/dbraw/zinc/43/25/72/657432572.db2.gz QIKIOEFVGBWWIR-NEPJUHHUSA-N 2 1 266.345 -0.237 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015651064 657505523 /nfs/dbraw/zinc/50/55/23/657505523.db2.gz BTYLAQSCWIEZJQ-AAEUAGOBSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015651064 657505530 /nfs/dbraw/zinc/50/55/30/657505530.db2.gz BTYLAQSCWIEZJQ-AAEUAGOBSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](CCO)C1 ZINC001015705124 657522514 /nfs/dbraw/zinc/52/25/14/657522514.db2.gz IDEHYGHILOHJBA-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001015705124 657522524 /nfs/dbraw/zinc/52/25/24/657522524.db2.gz IDEHYGHILOHJBA-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001015705124 657522535 /nfs/dbraw/zinc/52/25/35/657522535.db2.gz IDEHYGHILOHJBA-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCO)C1)C2 ZINC001015707112 657523487 /nfs/dbraw/zinc/52/34/87/657523487.db2.gz ZXVMWDFZWGMRME-CHWSQXEVSA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCO)C1)C2 ZINC001015707112 657523491 /nfs/dbraw/zinc/52/34/91/657523491.db2.gz ZXVMWDFZWGMRME-CHWSQXEVSA-N 2 1 292.383 -0.063 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC12CC[NH+](CC1)C2 ZINC000913628627 657563592 /nfs/dbraw/zinc/56/35/92/657563592.db2.gz LUFPREKGKVNANO-UHFFFAOYSA-N 2 1 253.346 -0.327 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC12CC[NH+](CC1)C2 ZINC000913631966 657569982 /nfs/dbraw/zinc/56/99/82/657569982.db2.gz KXNFJJXUUQWWOM-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP CO[C@H]1C[C@@H](C(=O)N2CCC(O)(C[NH+](C)C)CC2)[N@@H+](C)C1 ZINC000913676526 657581060 /nfs/dbraw/zinc/58/10/60/657581060.db2.gz AJBBLNOEAJSKCL-STQMWFEESA-N 2 1 299.415 -0.379 20 0 CBADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001015900799 657598970 /nfs/dbraw/zinc/59/89/70/657598970.db2.gz VKZVOZSTBDJRDY-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001015997459 657626649 /nfs/dbraw/zinc/62/66/49/657626649.db2.gz CNJRUUVFOWUZJA-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001015997459 657626654 /nfs/dbraw/zinc/62/66/54/657626654.db2.gz CNJRUUVFOWUZJA-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001015997459 657626659 /nfs/dbraw/zinc/62/66/59/657626659.db2.gz CNJRUUVFOWUZJA-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015997876 657628501 /nfs/dbraw/zinc/62/85/01/657628501.db2.gz IMNFTPJGBZRMTP-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015997876 657628503 /nfs/dbraw/zinc/62/85/03/657628503.db2.gz IMNFTPJGBZRMTP-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015997876 657628507 /nfs/dbraw/zinc/62/85/07/657628507.db2.gz IMNFTPJGBZRMTP-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015997876 657628517 /nfs/dbraw/zinc/62/85/17/657628517.db2.gz IMNFTPJGBZRMTP-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCCO)C1)C12CC[NH+](CC1)C2 ZINC001016003871 657630512 /nfs/dbraw/zinc/63/05/12/657630512.db2.gz QNIYKLZJYCAAMP-GFCCVEGCSA-N 2 1 267.373 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCn3cncn3)C2)C1 ZINC001016249966 657671683 /nfs/dbraw/zinc/67/16/83/657671683.db2.gz LLUIPYPWAPPRDZ-CHWSQXEVSA-N 2 1 292.387 -0.580 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C2)C1 ZINC001016249966 657671699 /nfs/dbraw/zinc/67/16/99/657671699.db2.gz LLUIPYPWAPPRDZ-CHWSQXEVSA-N 2 1 292.387 -0.580 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001016249966 657671712 /nfs/dbraw/zinc/67/17/12/657671712.db2.gz LLUIPYPWAPPRDZ-CHWSQXEVSA-N 2 1 292.387 -0.580 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001016258891 657673520 /nfs/dbraw/zinc/67/35/20/657673520.db2.gz ABMDLJDAVIRQNS-GFCCVEGCSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001016258891 657673531 /nfs/dbraw/zinc/67/35/31/657673531.db2.gz ABMDLJDAVIRQNS-GFCCVEGCSA-N 2 1 266.345 -0.236 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)C1 ZINC001016970071 657742734 /nfs/dbraw/zinc/74/27/34/657742734.db2.gz RMXUYOXTHYYQAC-VXGBXAGGSA-N 2 1 294.399 -0.606 20 0 CBADMP C[C@H]1CN(CCNC(=O)NC[C@@H]2CC[N@H+]2C)CCO1 ZINC000915826961 657750950 /nfs/dbraw/zinc/75/09/50/657750950.db2.gz GCDKOEFWOYOKAJ-RYUDHWBXSA-N 2 1 270.377 -0.290 20 0 CBADMP C[C@H]1CN(CCNC(=O)NC[C@@H]2CCN2C)CCO1 ZINC000915826961 657750963 /nfs/dbraw/zinc/75/09/63/657750963.db2.gz GCDKOEFWOYOKAJ-RYUDHWBXSA-N 2 1 270.377 -0.290 20 0 CBADMP C[C@H]1CN(CCNC(=O)NC[C@H]2CC[N@H+]2C)CCO1 ZINC000915826959 657751054 /nfs/dbraw/zinc/75/10/54/657751054.db2.gz GCDKOEFWOYOKAJ-NWDGAFQWSA-N 2 1 270.377 -0.290 20 0 CBADMP C[C@H]1CN(CCNC(=O)NC[C@H]2CCN2C)CCO1 ZINC000915826959 657751061 /nfs/dbraw/zinc/75/10/61/657751061.db2.gz GCDKOEFWOYOKAJ-NWDGAFQWSA-N 2 1 270.377 -0.290 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000916841516 657789105 /nfs/dbraw/zinc/78/91/05/657789105.db2.gz GAHLLUYDGFFLFM-AGIUHOORSA-N 2 1 282.388 -0.147 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000916841516 657789110 /nfs/dbraw/zinc/78/91/10/657789110.db2.gz GAHLLUYDGFFLFM-AGIUHOORSA-N 2 1 282.388 -0.147 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000916841516 657789114 /nfs/dbraw/zinc/78/91/14/657789114.db2.gz GAHLLUYDGFFLFM-AGIUHOORSA-N 2 1 282.388 -0.147 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1([NH+](C)C)CC1 ZINC000917959635 657821703 /nfs/dbraw/zinc/82/17/03/657821703.db2.gz IIXOWOFQRIQFQC-LBPRGKRZSA-N 2 1 283.420 -0.374 20 0 CBADMP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001018626578 657827832 /nfs/dbraw/zinc/82/78/32/657827832.db2.gz ADHWYCYTDUBMOM-WCQYABFASA-N 2 1 292.387 -0.400 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018967973 657855570 /nfs/dbraw/zinc/85/55/70/657855570.db2.gz NUYFYMKAWKUYCH-STQMWFEESA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001018971880 657855753 /nfs/dbraw/zinc/85/57/53/657855753.db2.gz YKEVJMFWOZWUTC-MNOVXSKESA-N 2 1 282.388 -0.465 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018967972 657855982 /nfs/dbraw/zinc/85/59/82/657855982.db2.gz NUYFYMKAWKUYCH-QWHCGFSZSA-N 2 1 296.415 -0.075 20 0 CBADMP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001018966976 657856257 /nfs/dbraw/zinc/85/62/57/657856257.db2.gz YNDJLWHUDJWLMP-WDEREUQCSA-N 2 1 291.355 -0.564 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1)[NH+](C)C ZINC001019032118 657859119 /nfs/dbraw/zinc/85/91/19/657859119.db2.gz GSRNSVQKXTZIKD-WCQYABFASA-N 2 1 294.403 -0.154 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019044809 657859912 /nfs/dbraw/zinc/85/99/12/657859912.db2.gz ZDMSREYFUUCWSS-WDEREUQCSA-N 2 1 268.361 -0.854 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019153973 657866180 /nfs/dbraw/zinc/86/61/80/657866180.db2.gz UKTYDKMZWPGVPD-NSHDSACASA-N 2 1 252.318 -0.626 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019241578 657876005 /nfs/dbraw/zinc/87/60/05/657876005.db2.gz KVAPRZWVTHZNEK-SDDRHHMPSA-N 2 1 280.372 -0.840 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001019518564 657906587 /nfs/dbraw/zinc/90/65/87/657906587.db2.gz TUNXPYOWULNPDD-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001019771507 657938727 /nfs/dbraw/zinc/93/87/27/657938727.db2.gz QJERUYLZAHAPEQ-RYUDHWBXSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001019771507 657938738 /nfs/dbraw/zinc/93/87/38/657938738.db2.gz QJERUYLZAHAPEQ-RYUDHWBXSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001020026184 657987925 /nfs/dbraw/zinc/98/79/25/657987925.db2.gz KCEYODRKCVUDFT-SRVKXCTJSA-N 2 1 292.387 -0.354 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001020237852 658030351 /nfs/dbraw/zinc/03/03/51/658030351.db2.gz FNWORUGGBJZPMY-DCAQKATOSA-N 2 1 291.355 -0.517 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001020288430 658034403 /nfs/dbraw/zinc/03/44/03/658034403.db2.gz ANVGSNPIDCSWSI-FDYHWXHSSA-N 2 1 294.399 -0.275 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001020288429 658034638 /nfs/dbraw/zinc/03/46/38/658034638.db2.gz ANVGSNPIDCSWSI-CYDGBPFRSA-N 2 1 294.399 -0.275 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020301128 658035476 /nfs/dbraw/zinc/03/54/76/658035476.db2.gz PUNKHJOHIUTKOS-GMTAPVOTSA-N 2 1 268.361 -0.807 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001020505909 658061507 /nfs/dbraw/zinc/06/15/07/658061507.db2.gz IHSUQOZZMOVWST-SYQHCUMBSA-N 2 1 299.415 -0.287 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001020505909 658061521 /nfs/dbraw/zinc/06/15/21/658061521.db2.gz IHSUQOZZMOVWST-SYQHCUMBSA-N 2 1 299.415 -0.287 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)C(N)=O ZINC001020586406 658075150 /nfs/dbraw/zinc/07/51/50/658075150.db2.gz NNWHXSVFUYXVPQ-DDHJBXDOSA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)C(N)=O ZINC001020586405 658075941 /nfs/dbraw/zinc/07/59/41/658075941.db2.gz NNWHXSVFUYXVPQ-BJDJZHNGSA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020586790 658076439 /nfs/dbraw/zinc/07/64/39/658076439.db2.gz ZDWGBZMWXGMFFY-ZDEQEGDKSA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)C(N)=O ZINC001020586407 658077018 /nfs/dbraw/zinc/07/70/18/658077018.db2.gz NNWHXSVFUYXVPQ-USZNOCQGSA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020590305 658077235 /nfs/dbraw/zinc/07/72/35/658077235.db2.gz RRFGRQKQTAFYMZ-DDHJBXDOSA-N 2 1 255.362 -0.587 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001020719582 658084057 /nfs/dbraw/zinc/08/40/57/658084057.db2.gz MNXUATOKEDRXLT-CYDGBPFRSA-N 2 1 294.399 -0.275 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020926871 658112911 /nfs/dbraw/zinc/11/29/11/658112911.db2.gz GRFHKYQFOXJGKY-DCAQKATOSA-N 2 1 268.361 -0.950 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020926874 658116672 /nfs/dbraw/zinc/11/66/72/658116672.db2.gz GRFHKYQFOXJGKY-GMTAPVOTSA-N 2 1 268.361 -0.950 20 0 CBADMP C[NH+](C)C1(CNC(=O)NC[C@H]2C[C@H](O)C[N@H+]2C)CC1 ZINC000922982666 658117398 /nfs/dbraw/zinc/11/73/98/658117398.db2.gz DGHQVUYGUDCHEM-MNOVXSKESA-N 2 1 270.377 -0.555 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021047754 658136717 /nfs/dbraw/zinc/13/67/17/658136717.db2.gz NLCVJUHIIOVYQO-SRVKXCTJSA-N 2 1 292.387 -0.496 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001021053960 658139996 /nfs/dbraw/zinc/13/99/96/658139996.db2.gz DHBOFUPDRDHKRI-XYPYZODXSA-N 2 1 252.318 -0.579 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCF)C2)C1 ZINC001021080625 658147258 /nfs/dbraw/zinc/14/72/58/658147258.db2.gz NQAVCJWNINNANK-SRVKXCTJSA-N 2 1 273.352 -0.087 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCF)C2)C1 ZINC001021080625 658147273 /nfs/dbraw/zinc/14/72/73/658147273.db2.gz NQAVCJWNINNANK-SRVKXCTJSA-N 2 1 273.352 -0.087 20 0 CBADMP CCOCC[C@@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000923288259 658194641 /nfs/dbraw/zinc/19/46/41/658194641.db2.gz YYVPSPVIMKENBR-CYBMUJFWSA-N 2 1 259.394 -0.389 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001021094343 658151623 /nfs/dbraw/zinc/15/16/23/658151623.db2.gz OBEZOPXPIHQYGN-LPWJVIDDSA-N 2 1 296.415 -0.029 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280924 658191151 /nfs/dbraw/zinc/19/11/51/658191151.db2.gz KCZNMRBFCLLEGG-STQMWFEESA-N 3 1 296.415 -0.848 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923298836 658196947 /nfs/dbraw/zinc/19/69/47/658196947.db2.gz GGJWKRYPOPFYHJ-CHWSQXEVSA-N 2 1 261.410 -0.112 20 0 CBADMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306446 658203214 /nfs/dbraw/zinc/20/32/14/658203214.db2.gz MHJDJGGOYNPWAC-WOPDTQHZSA-N 2 1 267.373 -0.049 20 0 CBADMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306439 658204280 /nfs/dbraw/zinc/20/42/80/658204280.db2.gz MHJDJGGOYNPWAC-GRYCIOLGSA-N 2 1 267.373 -0.049 20 0 CBADMP CCCC[N@H+](CC(N)=O)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307263 658204381 /nfs/dbraw/zinc/20/43/81/658204381.db2.gz QXJPWHDQGNVGHY-LLVKDONJSA-N 2 1 255.362 -0.048 20 0 CBADMP c1cnc(N2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)cn1 ZINC000923322709 658207967 /nfs/dbraw/zinc/20/79/67/658207967.db2.gz YTIVMIMUHUIMFV-ZDUSSCGKSA-N 2 1 289.383 -0.023 20 0 CBADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@H]12 ZINC000923333118 658214090 /nfs/dbraw/zinc/21/40/90/658214090.db2.gz OUBZTHVFRJNKEI-YVECIDJPSA-N 2 1 250.346 -0.087 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000923331388 658214210 /nfs/dbraw/zinc/21/42/10/658214210.db2.gz GIAFYNZVGNJQEQ-SRVKXCTJSA-N 2 1 280.372 -0.060 20 0 CBADMP CC[C@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)CC[C@@H]1[NH3+] ZINC000923346371 658221565 /nfs/dbraw/zinc/22/15/65/658221565.db2.gz WYBBYZWCNIDMEG-QWRGUYRKSA-N 2 1 268.361 -0.060 20 0 CBADMP CC[C@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)CC[C@@H]1[NH3+] ZINC000923346371 658221596 /nfs/dbraw/zinc/22/15/96/658221596.db2.gz WYBBYZWCNIDMEG-QWRGUYRKSA-N 2 1 268.361 -0.060 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000923361134 658229435 /nfs/dbraw/zinc/22/94/35/658229435.db2.gz DFBAZZONCNFALP-BFHYXJOUSA-N 2 1 271.405 -0.391 20 0 CBADMP CN1CC(=O)N(CC[N@@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000923357605 658230145 /nfs/dbraw/zinc/23/01/45/658230145.db2.gz YYASOZNFHKQLDQ-LBPRGKRZSA-N 2 1 254.334 -0.449 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000923357605 658230167 /nfs/dbraw/zinc/23/01/67/658230167.db2.gz YYASOZNFHKQLDQ-LBPRGKRZSA-N 2 1 254.334 -0.449 20 0 CBADMP CSC[C@@H](O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923366234 658234279 /nfs/dbraw/zinc/23/42/79/658234279.db2.gz IGXNHQLJPPQGRO-NEPJUHHUSA-N 2 1 259.419 -0.310 20 0 CBADMP Cc1cccc(OC[C@H](O)C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000923367153 658234387 /nfs/dbraw/zinc/23/43/87/658234387.db2.gz SXSLDGULWBJXOJ-QWHCGFSZSA-N 2 1 268.357 -0.014 20 0 CBADMP Cc1cccc(OC[C@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000923367153 658234390 /nfs/dbraw/zinc/23/43/90/658234390.db2.gz SXSLDGULWBJXOJ-QWHCGFSZSA-N 2 1 268.357 -0.014 20 0 CBADMP COCCOC[C@H](O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000923369194 658237811 /nfs/dbraw/zinc/23/78/11/658237811.db2.gz IKDNHJUXGZAUCD-UMSGYPCISA-N 2 1 260.378 -0.014 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000923370015 658239132 /nfs/dbraw/zinc/23/91/32/658239132.db2.gz OFXXSDUHNOWIGJ-AAVRWANBSA-N 2 1 273.421 -0.098 20 0 CBADMP CCC[C@H]1C(=O)NCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923372251 658242493 /nfs/dbraw/zinc/24/24/93/658242493.db2.gz YVOMZNZEESXDKY-NEPJUHHUSA-N 2 1 267.373 -0.035 20 0 CBADMP CCC[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923372251 658242507 /nfs/dbraw/zinc/24/25/07/658242507.db2.gz YVOMZNZEESXDKY-NEPJUHHUSA-N 2 1 267.373 -0.035 20 0 CBADMP c1cn(C[C@H]2CC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)nn1 ZINC000923387602 658249630 /nfs/dbraw/zinc/24/96/30/658249630.db2.gz WWDXUVSJHMAPBA-STQMWFEESA-N 2 1 277.372 -0.022 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000923394495 658252617 /nfs/dbraw/zinc/25/26/17/658252617.db2.gz ASCCZRPRSXIIHV-IJLUTSLNSA-N 2 1 263.357 -0.703 20 0 CBADMP CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923386233 658251991 /nfs/dbraw/zinc/25/19/91/658251991.db2.gz LQBZEYJJHHFNBD-RYUDHWBXSA-N 2 1 253.346 -0.425 20 0 CBADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394894 658252938 /nfs/dbraw/zinc/25/29/38/658252938.db2.gz NGZPTBKARQOSBC-CMPLNLGQSA-N 2 1 253.346 -0.438 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923398062 658254249 /nfs/dbraw/zinc/25/42/49/658254249.db2.gz JQBKGNZWGCESKQ-RDBSUJKOSA-N 2 1 271.405 -0.261 20 0 CBADMP CN(C)C(=O)N(C)[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923395660 658254567 /nfs/dbraw/zinc/25/45/67/658254567.db2.gz UUMBOBCYLUPECA-USZNOCQGSA-N 2 1 270.377 -0.475 20 0 CBADMP CC[C@H](O)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000923399698 658255387 /nfs/dbraw/zinc/25/53/87/658255387.db2.gz STOULQLSESPVIB-LBPRGKRZSA-N 2 1 270.377 -0.600 20 0 CBADMP CS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923392684 658255916 /nfs/dbraw/zinc/25/59/16/658255916.db2.gz ZICZTNNOWIJQRK-NEPJUHHUSA-N 2 1 288.413 -0.126 20 0 CBADMP CS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923392684 658255925 /nfs/dbraw/zinc/25/59/25/658255925.db2.gz ZICZTNNOWIJQRK-NEPJUHHUSA-N 2 1 288.413 -0.126 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC000923403261 658258772 /nfs/dbraw/zinc/25/87/72/658258772.db2.gz OTZHZIIQZSXSGQ-LBPRGKRZSA-N 2 1 256.350 -0.588 20 0 CBADMP OCC[NH2+][C@@H]1CCCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000923408124 658267567 /nfs/dbraw/zinc/26/75/67/658267567.db2.gz CLIFRXIOJKBRQB-KFWWJZLASA-N 2 1 283.416 -0.104 20 0 CBADMP OCC[NH2+][C@@H]1CCCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000923408124 658267590 /nfs/dbraw/zinc/26/75/90/658267590.db2.gz CLIFRXIOJKBRQB-KFWWJZLASA-N 2 1 283.416 -0.104 20 0 CBADMP CCOC[C@H](O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413162 658269193 /nfs/dbraw/zinc/26/91/93/658269193.db2.gz DVOSFYXTXAXWDU-LPWJVIDDSA-N 2 1 299.371 -0.749 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H](O)CSC)C2 ZINC000923428872 658274034 /nfs/dbraw/zinc/27/40/34/658274034.db2.gz MALKWYKVOSDZSP-NOHGZBONSA-N 2 1 288.413 -0.077 20 0 CBADMP COC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923428969 658274295 /nfs/dbraw/zinc/27/42/95/658274295.db2.gz UXPNXABLDZEFEL-QWRGUYRKSA-N 2 1 269.345 -0.205 20 0 CBADMP c1nnn2c1C[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)CCC2 ZINC000923425359 658274749 /nfs/dbraw/zinc/27/47/49/658274749.db2.gz KYRBIUNMPSUQGA-LBPRGKRZSA-N 2 1 263.345 -0.138 20 0 CBADMP c1nnn2c1C[N@@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)CCC2 ZINC000923425359 658274756 /nfs/dbraw/zinc/27/47/56/658274756.db2.gz KYRBIUNMPSUQGA-LBPRGKRZSA-N 2 1 263.345 -0.138 20 0 CBADMP CC(C)CNC(=O)NC(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462839 658290360 /nfs/dbraw/zinc/29/03/60/658290360.db2.gz BIQBBQGEJZATIB-GFCCVEGCSA-N 2 1 299.419 -0.649 20 0 CBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)Nc1nccs1 ZINC000923462221 658293156 /nfs/dbraw/zinc/29/31/56/658293156.db2.gz FBGXZENBTZJVGC-UHFFFAOYSA-N 2 1 269.374 -0.424 20 0 CBADMP CC(C)CNC(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462899 658293367 /nfs/dbraw/zinc/29/33/67/658293367.db2.gz DIEIGKVSWIHQTI-GFCCVEGCSA-N 2 1 256.394 -0.358 20 0 CBADMP C[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923465629 658296201 /nfs/dbraw/zinc/29/62/01/658296201.db2.gz JPXRVGLQMCGCIF-CYBMUJFWSA-N 2 1 268.405 -0.118 20 0 CBADMP Cc1cc(NC(=O)[C@@H](C)N2CC[NH2+]CC[NH2+]CC2)on1 ZINC000923464289 658297493 /nfs/dbraw/zinc/29/74/93/658297493.db2.gz LUUMROHBJJEPLT-LLVKDONJSA-N 2 1 281.360 -0.195 20 0 CBADMP C[C@@H](C(=O)NC1CCCC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923466673 658298209 /nfs/dbraw/zinc/29/82/09/658298209.db2.gz TXWUFIUWJNHRJR-LBPRGKRZSA-N 2 1 268.405 -0.072 20 0 CBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCc1ccc(F)cc1 ZINC000923466407 658298245 /nfs/dbraw/zinc/29/82/45/658298245.db2.gz YBHHLVUHPRCZHZ-UHFFFAOYSA-N 2 1 294.374 -0.063 20 0 CBADMP C[C@H]1CN(C(=O)CN2CC[NH2+]CC[NH2+]CC2)C[C@H](C)O1 ZINC000923465573 658299368 /nfs/dbraw/zinc/29/93/68/658299368.db2.gz IJGHRFUNDMVZFU-STQMWFEESA-N 2 1 284.404 -0.883 20 0 CBADMP COC[C@H](C)OC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515831 658310145 /nfs/dbraw/zinc/31/01/45/658310145.db2.gz NZXJDVSKTGEGLA-FQUUOJAGSA-N 2 1 272.389 -0.060 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)C(=O)N(C)C ZINC000923500984 658310526 /nfs/dbraw/zinc/31/05/26/658310526.db2.gz SWDOKLXOGPFPSO-WOPDTQHZSA-N 2 1 284.404 -0.504 20 0 CBADMP COC[C@@H](C)OC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515834 658310865 /nfs/dbraw/zinc/31/08/65/658310865.db2.gz NZXJDVSKTGEGLA-XJFOESAGSA-N 2 1 272.389 -0.060 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500593 658311210 /nfs/dbraw/zinc/31/12/10/658311210.db2.gz WCWBBHPVMHKWMS-GHMZBOCLSA-N 2 1 271.361 -0.418 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923501034 658311711 /nfs/dbraw/zinc/31/17/11/658311711.db2.gz YSTCQFISKABHRX-QWRGUYRKSA-N 2 1 263.407 -0.158 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500597 658312001 /nfs/dbraw/zinc/31/20/01/658312001.db2.gz WCWBBHPVMHKWMS-QWRGUYRKSA-N 2 1 271.361 -0.418 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000923513130 658312050 /nfs/dbraw/zinc/31/20/50/658312050.db2.gz TXFFJMBIZCEQNJ-JHJVBQTASA-N 2 1 268.405 -0.182 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519595 658312673 /nfs/dbraw/zinc/31/26/73/658312673.db2.gz VHFVZMORCQZREU-WDEREUQCSA-N 2 1 261.391 -0.533 20 0 CBADMP O=S1(=O)NC[C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCN21 ZINC000923550413 658317321 /nfs/dbraw/zinc/31/73/21/658317321.db2.gz XMLUHYUBMBRGAZ-NWDGAFQWSA-N 2 1 288.417 -0.790 20 0 CBADMP O=S1(=O)NC[C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCN21 ZINC000923550417 658317477 /nfs/dbraw/zinc/31/74/77/658317477.db2.gz XMLUHYUBMBRGAZ-VXGBXAGGSA-N 2 1 288.417 -0.790 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923628068 658363943 /nfs/dbraw/zinc/36/39/43/658363943.db2.gz NYDRPENCFHHHMV-LDYMZIIASA-N 2 1 259.375 -0.640 20 0 CBADMP O=S(=O)(N1CC[NH2+]CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923647541 658373470 /nfs/dbraw/zinc/37/34/70/658373470.db2.gz ZQBMFOJSRAPIPI-LBPRGKRZSA-N 2 1 288.417 -0.788 20 0 CBADMP O=C(NC[C@@H]1C[N@@H+](CCF)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC000958215335 658590527 /nfs/dbraw/zinc/59/05/27/658590527.db2.gz VZGCFFMMOWTWCM-OLZOCXBDSA-N 2 1 299.390 -0.007 20 0 CBADMP O=C(NC[C@@H]1C[N@H+](CCF)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC000958215335 658590536 /nfs/dbraw/zinc/59/05/36/658590536.db2.gz VZGCFFMMOWTWCM-OLZOCXBDSA-N 2 1 299.390 -0.007 20 0 CBADMP O=C(NC[C@H]1C[N@@H+](CCF)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000958215336 658591845 /nfs/dbraw/zinc/59/18/45/658591845.db2.gz VZGCFFMMOWTWCM-QWHCGFSZSA-N 2 1 299.390 -0.007 20 0 CBADMP O=C(NC[C@H]1C[N@H+](CCF)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000958215336 658591852 /nfs/dbraw/zinc/59/18/52/658591852.db2.gz VZGCFFMMOWTWCM-QWHCGFSZSA-N 2 1 299.390 -0.007 20 0 CBADMP O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC000958214927 658592398 /nfs/dbraw/zinc/59/23/98/658592398.db2.gz OSSVGURRCJMOGM-OLZOCXBDSA-N 2 1 297.399 -0.984 20 0 CBADMP C[C@@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)[N@@H+](C)C1CC1 ZINC000924582186 658614209 /nfs/dbraw/zinc/61/42/09/658614209.db2.gz JBUVLFYQRNHPEN-GXSJLCMTSA-N 2 1 268.361 -0.049 20 0 CBADMP C[NH+](C)C[C@@H]1NC(=O)N(C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1=O ZINC000924561219 658615839 /nfs/dbraw/zinc/61/58/39/658615839.db2.gz SDSJIIFKHBMYOO-WOPDTQHZSA-N 2 1 296.371 -0.668 20 0 CBADMP C[C@@H]1C[C@@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)CC[N@H+]1C ZINC000924628513 658624646 /nfs/dbraw/zinc/62/46/46/658624646.db2.gz JPCFTXMBLWUVCS-VWYCJHECSA-N 2 1 268.361 -0.049 20 0 CBADMP CON1CCC([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000924945777 658670195 /nfs/dbraw/zinc/67/01/95/658670195.db2.gz KSHUFURJINFSGW-UHFFFAOYSA-N 2 1 284.404 -0.234 20 0 CBADMP O=C(NC[C@@H]1C[N@H+](CCCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958591796 658670714 /nfs/dbraw/zinc/67/07/14/658670714.db2.gz JALSZSWGSVIKIM-OLZOCXBDSA-N 2 1 299.390 -0.149 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000924975172 658674832 /nfs/dbraw/zinc/67/48/32/658674832.db2.gz RJZKYMUUAYRSQR-MNOVXSKESA-N 2 1 253.346 -0.737 20 0 CBADMP C[NH+](C)CCn1nccc1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1C ZINC000924979121 658684898 /nfs/dbraw/zinc/68/48/98/658684898.db2.gz MBZGAIOYCPKPBO-NEPJUHHUSA-N 2 1 295.387 -0.761 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C ZINC000924978079 658686670 /nfs/dbraw/zinc/68/66/70/658686670.db2.gz INWXIHNHSLMWQN-WDEREUQCSA-N 2 1 252.318 -0.627 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C ZINC000924978079 658686689 /nfs/dbraw/zinc/68/66/89/658686689.db2.gz INWXIHNHSLMWQN-WDEREUQCSA-N 2 1 252.318 -0.627 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@H]1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000924990496 658703121 /nfs/dbraw/zinc/70/31/21/658703121.db2.gz GVTKARSVFGUOBK-OBJOEFQTSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@H]1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000924990496 658703160 /nfs/dbraw/zinc/70/31/60/658703160.db2.gz GVTKARSVFGUOBK-OBJOEFQTSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@H]1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000924990496 658703168 /nfs/dbraw/zinc/70/31/68/658703168.db2.gz GVTKARSVFGUOBK-OBJOEFQTSA-N 2 1 285.388 -0.986 20 0 CBADMP Cc1[nH+]ccn1CCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000925291392 658816969 /nfs/dbraw/zinc/81/69/69/658816969.db2.gz BUMRWIPGMRFQJK-SNVBAGLBSA-N 2 1 265.317 -0.326 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000925332152 658827502 /nfs/dbraw/zinc/82/75/02/658827502.db2.gz NJTJCBQGLZOGKU-MDZLAQPJSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000925332152 658827509 /nfs/dbraw/zinc/82/75/09/658827509.db2.gz NJTJCBQGLZOGKU-MDZLAQPJSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000925332152 658827511 /nfs/dbraw/zinc/82/75/11/658827511.db2.gz NJTJCBQGLZOGKU-MDZLAQPJSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](CCO)C[C@@H]2C)CC[N@@H+]1C ZINC000925340304 658828990 /nfs/dbraw/zinc/82/89/90/658828990.db2.gz JIQYHBPPAPUSJO-XQQFMLRXSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](CCO)C[C@@H]2C)CC[N@H+]1C ZINC000925340304 658828994 /nfs/dbraw/zinc/82/89/94/658828994.db2.gz JIQYHBPPAPUSJO-XQQFMLRXSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CC[N@H+](CCO)C[C@@H]2C)CC[NH+]1C ZINC000925340304 658829000 /nfs/dbraw/zinc/82/90/00/658829000.db2.gz JIQYHBPPAPUSJO-XQQFMLRXSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)CC[NH+]1C ZINC000925340304 658829010 /nfs/dbraw/zinc/82/90/10/658829010.db2.gz JIQYHBPPAPUSJO-XQQFMLRXSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925344073 658831340 /nfs/dbraw/zinc/83/13/40/658831340.db2.gz PABWGOFMCMUELS-RWMBFGLXSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000925344073 658831341 /nfs/dbraw/zinc/83/13/41/658831341.db2.gz PABWGOFMCMUELS-RWMBFGLXSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@H]1[C@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000925341778 658831694 /nfs/dbraw/zinc/83/16/94/658831694.db2.gz JPFLLQRZCGKEOZ-WUHRBBMRSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@H]1[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000925341778 658831696 /nfs/dbraw/zinc/83/16/96/658831696.db2.gz JPFLLQRZCGKEOZ-WUHRBBMRSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@H]1[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000925341778 658831697 /nfs/dbraw/zinc/83/16/97/658831697.db2.gz JPFLLQRZCGKEOZ-WUHRBBMRSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@H]1[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@H+]1C ZINC000925346772 658832480 /nfs/dbraw/zinc/83/24/80/658832480.db2.gz VTQBGVDFIAZQQN-SDDRHHMPSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@H]1[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000925346772 658832485 /nfs/dbraw/zinc/83/24/85/658832485.db2.gz VTQBGVDFIAZQQN-SDDRHHMPSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@H]1[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000925346772 658832487 /nfs/dbraw/zinc/83/24/87/658832487.db2.gz VTQBGVDFIAZQQN-SDDRHHMPSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@@H+]1C ZINC000925348175 658832591 /nfs/dbraw/zinc/83/25/91/658832591.db2.gz JOPSYHUIKBXSTG-RAIGVLPGSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@H+]1C ZINC000925348175 658832592 /nfs/dbraw/zinc/83/25/92/658832592.db2.gz JOPSYHUIKBXSTG-RAIGVLPGSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000925348175 658832596 /nfs/dbraw/zinc/83/25/96/658832596.db2.gz JOPSYHUIKBXSTG-RAIGVLPGSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000925348175 658832599 /nfs/dbraw/zinc/83/25/99/658832599.db2.gz JOPSYHUIKBXSTG-RAIGVLPGSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@H]1[C@@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@@H+]1C ZINC000925348177 658832693 /nfs/dbraw/zinc/83/26/93/658832693.db2.gz JOPSYHUIKBXSTG-UHTWSYAYSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@H]1[C@@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@H+]1C ZINC000925348177 658832694 /nfs/dbraw/zinc/83/26/94/658832694.db2.gz JOPSYHUIKBXSTG-UHTWSYAYSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@H]1[C@@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000925348177 658832698 /nfs/dbraw/zinc/83/26/98/658832698.db2.gz JOPSYHUIKBXSTG-UHTWSYAYSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@H]1[C@@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000925348177 658832700 /nfs/dbraw/zinc/83/27/00/658832700.db2.gz JOPSYHUIKBXSTG-UHTWSYAYSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC000961773569 658833691 /nfs/dbraw/zinc/83/36/91/658833691.db2.gz PCJYTIFQTNZGNP-CXTNEJHOSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000961773569 658833697 /nfs/dbraw/zinc/83/36/97/658833697.db2.gz PCJYTIFQTNZGNP-CXTNEJHOSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000961773569 658833704 /nfs/dbraw/zinc/83/37/04/658833704.db2.gz PCJYTIFQTNZGNP-CXTNEJHOSA-N 2 1 281.400 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000925408050 658839521 /nfs/dbraw/zinc/83/95/21/658839521.db2.gz NXXDHTFCCVREIX-MCIONIFRSA-N 2 1 296.415 -0.069 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000925412948 658841176 /nfs/dbraw/zinc/84/11/76/658841176.db2.gz DXGXYTQZXWHHOX-ZYHUDNBSSA-N 2 1 256.350 -0.944 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000925412948 658841180 /nfs/dbraw/zinc/84/11/80/658841180.db2.gz DXGXYTQZXWHHOX-ZYHUDNBSSA-N 2 1 256.350 -0.944 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000925412948 658841185 /nfs/dbraw/zinc/84/11/85/658841185.db2.gz DXGXYTQZXWHHOX-ZYHUDNBSSA-N 2 1 256.350 -0.944 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000925428667 658849277 /nfs/dbraw/zinc/84/92/77/658849277.db2.gz DISSLZPDOXFFTH-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000925428667 658849281 /nfs/dbraw/zinc/84/92/81/658849281.db2.gz DISSLZPDOXFFTH-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000925428667 658849284 /nfs/dbraw/zinc/84/92/84/658849284.db2.gz DISSLZPDOXFFTH-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000925432907 658851252 /nfs/dbraw/zinc/85/12/52/658851252.db2.gz ZQUHTRIPAJKTFQ-NWDGAFQWSA-N 2 1 284.404 -0.165 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000925432907 658851257 /nfs/dbraw/zinc/85/12/57/658851257.db2.gz ZQUHTRIPAJKTFQ-NWDGAFQWSA-N 2 1 284.404 -0.165 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000925432907 658851259 /nfs/dbraw/zinc/85/12/59/658851259.db2.gz ZQUHTRIPAJKTFQ-NWDGAFQWSA-N 2 1 284.404 -0.165 20 0 CBADMP CN(CCC[NH+](C)C)CCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925434835 658854479 /nfs/dbraw/zinc/85/44/79/658854479.db2.gz NOOJFYTZEMISIP-ZDUSSCGKSA-N 2 1 285.436 -0.127 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925477740 658855881 /nfs/dbraw/zinc/85/58/81/658855881.db2.gz LTEGOIMFODSLIJ-STQMWFEESA-N 2 1 257.378 -0.325 20 0 CBADMP C[C@@H](CN[C@H]1C[NH2+]CCOC1)C[NH+]1CCOCC1 ZINC000925508979 658857020 /nfs/dbraw/zinc/85/70/20/658857020.db2.gz KSJRMZPAPFLMEP-STQMWFEESA-N 2 1 257.378 -0.467 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000925541620 658857930 /nfs/dbraw/zinc/85/79/30/658857930.db2.gz COQZAYGHIIBZEE-QWRGUYRKSA-N 2 1 255.362 -0.001 20 0 CBADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CNCCOC1 ZINC000925609846 658862107 /nfs/dbraw/zinc/86/21/07/658862107.db2.gz WMRBJNVJLOLOQY-KBPBESRZSA-N 2 1 271.405 -0.199 20 0 CBADMP OC[C@@H]1CCC[N@@H+]1CCCCN[C@H]1C[NH2+]CCOC1 ZINC000925609846 658862110 /nfs/dbraw/zinc/86/21/10/658862110.db2.gz WMRBJNVJLOLOQY-KBPBESRZSA-N 2 1 271.405 -0.199 20 0 CBADMP OC[C@@H]1CCC[N@H+]1CCCCN[C@H]1C[NH2+]CCOC1 ZINC000925609846 658862114 /nfs/dbraw/zinc/86/21/14/658862114.db2.gz WMRBJNVJLOLOQY-KBPBESRZSA-N 2 1 271.405 -0.199 20 0 CBADMP CN1CCN(C(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925619008 658864050 /nfs/dbraw/zinc/86/40/50/658864050.db2.gz ZHXXBWXJPPHAFC-NWDGAFQWSA-N 2 1 266.389 -0.380 20 0 CBADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(=O)N1CCNCC1 ZINC000925693757 658866146 /nfs/dbraw/zinc/86/61/46/658866146.db2.gz RPHUCLNRMSSNCH-KCXRBIIJSA-N 2 1 266.389 -0.476 20 0 CBADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC(=O)N2CCNCC2)C1 ZINC000925694524 658865972 /nfs/dbraw/zinc/86/59/72/658865972.db2.gz UWNSWRLRFCDYGJ-NWDGAFQWSA-N 2 1 268.405 -0.086 20 0 CBADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000926171836 658888171 /nfs/dbraw/zinc/88/81/71/658888171.db2.gz AUXOKELJUHNCNK-STQMWFEESA-N 2 1 270.373 -0.019 20 0 CBADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000926171836 658888172 /nfs/dbraw/zinc/88/81/72/658888172.db2.gz AUXOKELJUHNCNK-STQMWFEESA-N 2 1 270.373 -0.019 20 0 CBADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926334932 658892984 /nfs/dbraw/zinc/89/29/84/658892984.db2.gz WEFBZEFOFDBLNP-OLZOCXBDSA-N 2 1 296.415 -0.406 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000926340756 658894126 /nfs/dbraw/zinc/89/41/26/658894126.db2.gz IKSZWAPFJKFMOJ-JHJVBQTASA-N 2 1 296.415 -0.409 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000926340756 658894127 /nfs/dbraw/zinc/89/41/27/658894127.db2.gz IKSZWAPFJKFMOJ-JHJVBQTASA-N 2 1 296.415 -0.409 20 0 CBADMP 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 658896082 /nfs/dbraw/zinc/89/60/82/658896082.db2.gz PSNCRSNCFRDBQO-MROQNXINSA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)Cn1ccnc1 ZINC000968702675 658938796 /nfs/dbraw/zinc/93/87/96/658938796.db2.gz OFNLLQLANKKJMT-RYUDHWBXSA-N 2 1 266.345 -0.298 20 0 CBADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC000968922344 658944753 /nfs/dbraw/zinc/94/47/53/658944753.db2.gz YKEVJMFWOZWUTC-GHMZBOCLSA-N 2 1 282.388 -0.465 20 0 CBADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969362364 658977300 /nfs/dbraw/zinc/97/73/00/658977300.db2.gz QSVWMGYVHNVSNS-GFCCVEGCSA-N 2 1 292.383 -0.055 20 0 CBADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC000969627009 659009348 /nfs/dbraw/zinc/00/93/48/659009348.db2.gz MDACAZGGPPBLMV-UTUOFQBUSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000969956493 659024957 /nfs/dbraw/zinc/02/49/57/659024957.db2.gz XDYBAMQRSBJMQL-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000928555150 659038086 /nfs/dbraw/zinc/03/80/86/659038086.db2.gz LUSGGFIETCCJFD-NEPJUHHUSA-N 2 1 252.362 -0.803 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000928555150 659038094 /nfs/dbraw/zinc/03/80/94/659038094.db2.gz LUSGGFIETCCJFD-NEPJUHHUSA-N 2 1 252.362 -0.803 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000928555150 659038101 /nfs/dbraw/zinc/03/81/01/659038101.db2.gz LUSGGFIETCCJFD-NEPJUHHUSA-N 2 1 252.362 -0.803 20 0 CBADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2C)CC1=O ZINC000928562304 659045612 /nfs/dbraw/zinc/04/56/12/659045612.db2.gz HVEVKEGJGRIUNB-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC000970712319 659067840 /nfs/dbraw/zinc/06/78/40/659067840.db2.gz MFVFTVGYIQZDAF-NWDGAFQWSA-N 2 1 292.387 -0.245 20 0 CBADMP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC000970712319 659067847 /nfs/dbraw/zinc/06/78/47/659067847.db2.gz MFVFTVGYIQZDAF-NWDGAFQWSA-N 2 1 292.387 -0.245 20 0 CBADMP Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000970720647 659069335 /nfs/dbraw/zinc/06/93/35/659069335.db2.gz XSPQSXLLXHECSW-GFCCVEGCSA-N 2 1 292.387 -0.399 20 0 CBADMP C[C@@H](O)C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C[C@H](C)O ZINC000929706825 659161802 /nfs/dbraw/zinc/16/18/02/659161802.db2.gz SPDHNXVYSWKHNO-GRYCIOLGSA-N 2 1 275.393 -0.884 20 0 CBADMP C[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C[C@H](C)O ZINC000929706825 659161810 /nfs/dbraw/zinc/16/18/10/659161810.db2.gz SPDHNXVYSWKHNO-GRYCIOLGSA-N 2 1 275.393 -0.884 20 0 CBADMP C[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C[C@H](C)O ZINC000929706825 659161818 /nfs/dbraw/zinc/16/18/18/659161818.db2.gz SPDHNXVYSWKHNO-GRYCIOLGSA-N 2 1 275.393 -0.884 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)C1CC1 ZINC000929932921 659186555 /nfs/dbraw/zinc/18/65/55/659186555.db2.gz BKWWLMFZRABLSE-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)C1CC1 ZINC000929932921 659186550 /nfs/dbraw/zinc/18/65/50/659186550.db2.gz BKWWLMFZRABLSE-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)C1CC1 ZINC000929932921 659186561 /nfs/dbraw/zinc/18/65/61/659186561.db2.gz BKWWLMFZRABLSE-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C1CC1 ZINC000929932921 659186567 /nfs/dbraw/zinc/18/65/67/659186567.db2.gz BKWWLMFZRABLSE-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000929992916 659193411 /nfs/dbraw/zinc/19/34/11/659193411.db2.gz YHGODSXLWNWSBZ-OLZOCXBDSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000929992916 659193413 /nfs/dbraw/zinc/19/34/13/659193413.db2.gz YHGODSXLWNWSBZ-OLZOCXBDSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000929992916 659193415 /nfs/dbraw/zinc/19/34/15/659193415.db2.gz YHGODSXLWNWSBZ-OLZOCXBDSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000929992916 659193417 /nfs/dbraw/zinc/19/34/17/659193417.db2.gz YHGODSXLWNWSBZ-OLZOCXBDSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H](O)[C@H](O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000930059453 659201229 /nfs/dbraw/zinc/20/12/29/659201229.db2.gz DDETZOQXGHUMND-ODXJTPSBSA-N 2 1 272.389 -0.088 20 0 CBADMP CN(CC[N@@H+](C)C[C@H](O)CO)C1CC[NH+](C)CC1 ZINC000930115016 659210610 /nfs/dbraw/zinc/21/06/10/659210610.db2.gz RKWHDEVGRKUHIL-ZDUSSCGKSA-N 2 1 259.394 -0.703 20 0 CBADMP C[C@H](O)[C@H](O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000930136964 659217263 /nfs/dbraw/zinc/21/72/63/659217263.db2.gz PXFASIQTHJUFAS-ZQDZILKHSA-N 2 1 285.432 -0.314 20 0 CBADMP C[C@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980833822 659292968 /nfs/dbraw/zinc/29/29/68/659292968.db2.gz KVVFMBNMPVGQNN-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000980833822 659292975 /nfs/dbraw/zinc/29/29/75/659292975.db2.gz KVVFMBNMPVGQNN-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000980833822 659292985 /nfs/dbraw/zinc/29/29/85/659292985.db2.gz KVVFMBNMPVGQNN-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000981229188 659310320 /nfs/dbraw/zinc/31/03/20/659310320.db2.gz TWHWLLPVJUAAEU-NEPJUHHUSA-N 2 1 293.371 -0.306 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000981525795 659320734 /nfs/dbraw/zinc/32/07/34/659320734.db2.gz ZTKCFELOFPOGOE-RYUDHWBXSA-N 2 1 293.371 -0.306 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000930829538 659347799 /nfs/dbraw/zinc/34/77/99/659347799.db2.gz WVIUVQVSMDKSRI-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000930829538 659347809 /nfs/dbraw/zinc/34/78/09/659347809.db2.gz WVIUVQVSMDKSRI-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000930829538 659347817 /nfs/dbraw/zinc/34/78/17/659347817.db2.gz WVIUVQVSMDKSRI-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000930829538 659347824 /nfs/dbraw/zinc/34/78/24/659347824.db2.gz WVIUVQVSMDKSRI-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](O)C1)[NH+]1CCC[C@@H](O)C1 ZINC000930865766 659356367 /nfs/dbraw/zinc/35/63/67/659356367.db2.gz RXOGTFAMVCKZHO-BFHYXJOUSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](O)C1)[NH+]1CCC[C@@H](O)C1 ZINC000930865766 659356369 /nfs/dbraw/zinc/35/63/69/659356369.db2.gz RXOGTFAMVCKZHO-BFHYXJOUSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCC[C@@H](O)C1)[N@@H+]1CCC[C@@H](O)C1 ZINC000930865766 659356373 /nfs/dbraw/zinc/35/63/73/659356373.db2.gz RXOGTFAMVCKZHO-BFHYXJOUSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCC[C@@H](O)C1)[N@H+]1CCC[C@@H](O)C1 ZINC000930865766 659356378 /nfs/dbraw/zinc/35/63/78/659356378.db2.gz RXOGTFAMVCKZHO-BFHYXJOUSA-N 2 1 299.415 -0.596 20 0 CBADMP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000930934303 659363695 /nfs/dbraw/zinc/36/36/95/659363695.db2.gz XNGOYANFSKPRQE-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000930934303 659363702 /nfs/dbraw/zinc/36/37/02/659363702.db2.gz XNGOYANFSKPRQE-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000930934303 659363706 /nfs/dbraw/zinc/36/37/06/659363706.db2.gz XNGOYANFSKPRQE-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000930934303 659363712 /nfs/dbraw/zinc/36/37/12/659363712.db2.gz XNGOYANFSKPRQE-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985333115 659380781 /nfs/dbraw/zinc/38/07/81/659380781.db2.gz XRQRAZPYGFDRCC-DGCLKSJQSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000985333115 659380789 /nfs/dbraw/zinc/38/07/89/659380789.db2.gz XRQRAZPYGFDRCC-DGCLKSJQSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000985333115 659380799 /nfs/dbraw/zinc/38/07/99/659380799.db2.gz XRQRAZPYGFDRCC-DGCLKSJQSA-N 2 1 296.415 -0.123 20 0 CBADMP C[NH+](CC(N)=O)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000985468046 659386617 /nfs/dbraw/zinc/38/66/17/659386617.db2.gz OMGFQQGZXQODOD-UHFFFAOYSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(=O)N1CCC([N@H+](C)CC(N)=O)CC1)C1CCC1 ZINC000985468046 659386622 /nfs/dbraw/zinc/38/66/22/659386622.db2.gz OMGFQQGZXQODOD-UHFFFAOYSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1)C1CCC1 ZINC000985468046 659386627 /nfs/dbraw/zinc/38/66/27/659386627.db2.gz OMGFQQGZXQODOD-UHFFFAOYSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@H](C(=O)N1CCC([N@@H+](C)CC(N)=O)CC1)[NH+](C)C ZINC000985493826 659387342 /nfs/dbraw/zinc/38/73/42/659387342.db2.gz XXFXKQOIYGTITA-GFCCVEGCSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH+](C)CC(N)=O)CC2)C1 ZINC000985653188 659395577 /nfs/dbraw/zinc/39/55/77/659395577.db2.gz JCUBWGCYRMQFRR-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CCC([N@H+](C)CC(N)=O)CC2)C1 ZINC000985653188 659395584 /nfs/dbraw/zinc/39/55/84/659395584.db2.gz JCUBWGCYRMQFRR-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CCC([N@@H+](C)CC(N)=O)CC2)C1 ZINC000985653188 659395590 /nfs/dbraw/zinc/39/55/90/659395590.db2.gz JCUBWGCYRMQFRR-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+](CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000985758514 659397814 /nfs/dbraw/zinc/39/78/14/659397814.db2.gz JHRVPZIPZITNCC-UHFFFAOYSA-N 2 1 281.400 -0.003 20 0 CBADMP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986352339 659447494 /nfs/dbraw/zinc/44/74/94/659447494.db2.gz GKTQQMBSSUWIHX-CMPLNLGQSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000986459989 659452801 /nfs/dbraw/zinc/45/28/01/659452801.db2.gz DPPKUSXDBFBBNI-PWSUYJOCSA-N 2 1 296.371 -0.079 20 0 CBADMP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000987188750 659495524 /nfs/dbraw/zinc/49/55/24/659495524.db2.gz BEQWFVXRNYPVFB-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)CO ZINC000931763056 659522707 /nfs/dbraw/zinc/52/27/07/659522707.db2.gz DSYRZLRKDZBZFO-DGCLKSJQSA-N 2 1 251.330 -0.055 20 0 CBADMP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931870837 659530395 /nfs/dbraw/zinc/53/03/95/659530395.db2.gz SDJPOQOQFOTFOT-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931870837 659530400 /nfs/dbraw/zinc/53/04/00/659530400.db2.gz SDJPOQOQFOTFOT-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000931874924 659537277 /nfs/dbraw/zinc/53/72/77/659537277.db2.gz RDSYPHJYSNKIBQ-ZDUSSCGKSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000931874924 659537287 /nfs/dbraw/zinc/53/72/87/659537287.db2.gz RDSYPHJYSNKIBQ-ZDUSSCGKSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931877311 659537904 /nfs/dbraw/zinc/53/79/04/659537904.db2.gz FQQMKHRNOGCOFM-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931877311 659537913 /nfs/dbraw/zinc/53/79/13/659537913.db2.gz FQQMKHRNOGCOFM-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931877311 659537925 /nfs/dbraw/zinc/53/79/25/659537925.db2.gz FQQMKHRNOGCOFM-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931877311 659537934 /nfs/dbraw/zinc/53/79/34/659537934.db2.gz FQQMKHRNOGCOFM-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000931878641 659539983 /nfs/dbraw/zinc/53/99/83/659539983.db2.gz RQALFPWPBWGMMC-AGIUHOORSA-N 2 1 294.399 -0.498 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000931878641 659539990 /nfs/dbraw/zinc/53/99/90/659539990.db2.gz RQALFPWPBWGMMC-AGIUHOORSA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000931878641 659539995 /nfs/dbraw/zinc/53/99/95/659539995.db2.gz RQALFPWPBWGMMC-AGIUHOORSA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000931878641 659540003 /nfs/dbraw/zinc/54/00/03/659540003.db2.gz RQALFPWPBWGMMC-AGIUHOORSA-N 2 1 294.399 -0.498 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@@H]1CC[N@H+](CC)C1 ZINC000931886012 659552671 /nfs/dbraw/zinc/55/26/71/659552671.db2.gz IRJWRJFBYRWNCL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000931886012 659552677 /nfs/dbraw/zinc/55/26/77/659552677.db2.gz IRJWRJFBYRWNCL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[C@@H]1CC[NH+](CC)C1 ZINC000931886012 659552689 /nfs/dbraw/zinc/55/26/89/659552689.db2.gz IRJWRJFBYRWNCL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[C@@H]1CC[NH+](CC)C1 ZINC000931886012 659552698 /nfs/dbraw/zinc/55/26/98/659552698.db2.gz IRJWRJFBYRWNCL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CC[N@H+](CC)C1 ZINC000931886013 659553587 /nfs/dbraw/zinc/55/35/87/659553587.db2.gz IRJWRJFBYRWNCL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000931886013 659553592 /nfs/dbraw/zinc/55/35/92/659553592.db2.gz IRJWRJFBYRWNCL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[C@H]1CC[NH+](CC)C1 ZINC000931886013 659553596 /nfs/dbraw/zinc/55/35/96/659553596.db2.gz IRJWRJFBYRWNCL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[C@H]1CC[NH+](CC)C1 ZINC000931886013 659553600 /nfs/dbraw/zinc/55/36/00/659553600.db2.gz IRJWRJFBYRWNCL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000931890768 659556797 /nfs/dbraw/zinc/55/67/97/659556797.db2.gz WPLOSBCYZVIVPV-SLEUVZQESA-N 2 1 294.399 -0.783 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000931890768 659556804 /nfs/dbraw/zinc/55/68/04/659556804.db2.gz WPLOSBCYZVIVPV-SLEUVZQESA-N 2 1 294.399 -0.783 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000931890768 659556813 /nfs/dbraw/zinc/55/68/13/659556813.db2.gz WPLOSBCYZVIVPV-SLEUVZQESA-N 2 1 294.399 -0.783 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000931890768 659556824 /nfs/dbraw/zinc/55/68/24/659556824.db2.gz WPLOSBCYZVIVPV-SLEUVZQESA-N 2 1 294.399 -0.783 20 0 CBADMP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931889463 659557839 /nfs/dbraw/zinc/55/78/39/659557839.db2.gz IPALRAPHBWOINT-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931889463 659557844 /nfs/dbraw/zinc/55/78/44/659557844.db2.gz IPALRAPHBWOINT-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]CCO)C[C@@H]1C ZINC000989174820 659574450 /nfs/dbraw/zinc/57/44/50/659574450.db2.gz BYKUUIIXKQFFGH-JQWIXIFHSA-N 2 1 266.345 -0.237 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CCC[N@H+](CCO)CC1 ZINC000989669705 659605875 /nfs/dbraw/zinc/60/58/75/659605875.db2.gz HBKIEPIXOIHRBH-UHFFFAOYSA-N 2 1 255.362 -0.391 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[NH+](CCCO)CC2)C1 ZINC000989665277 659606704 /nfs/dbraw/zinc/60/67/04/659606704.db2.gz CUOWYKIQTZURMD-CYBMUJFWSA-N 2 1 269.389 -0.145 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CCC[N@H+](CCCO)CC2)C1 ZINC000989665277 659606709 /nfs/dbraw/zinc/60/67/09/659606709.db2.gz CUOWYKIQTZURMD-CYBMUJFWSA-N 2 1 269.389 -0.145 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CCC[N@@H+](CCCO)CC2)C1 ZINC000989665277 659606711 /nfs/dbraw/zinc/60/67/11/659606711.db2.gz CUOWYKIQTZURMD-CYBMUJFWSA-N 2 1 269.389 -0.145 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000990275945 659711058 /nfs/dbraw/zinc/71/10/58/659711058.db2.gz FNYUMRKERIDVJK-QWHCGFSZSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCO)CC1 ZINC000990276319 659711122 /nfs/dbraw/zinc/71/11/22/659711122.db2.gz GYUMYSKJVDRYJN-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000933737896 659735515 /nfs/dbraw/zinc/73/55/15/659735515.db2.gz VBYFZNCPWBBOEH-BREBYQMCSA-N 2 1 251.330 -0.325 20 0 CBADMP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000933737896 659735519 /nfs/dbraw/zinc/73/55/19/659735519.db2.gz VBYFZNCPWBBOEH-BREBYQMCSA-N 2 1 251.330 -0.325 20 0 CBADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000933737896 659735526 /nfs/dbraw/zinc/73/55/26/659735526.db2.gz VBYFZNCPWBBOEH-BREBYQMCSA-N 2 1 251.330 -0.325 20 0 CBADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000933737896 659735531 /nfs/dbraw/zinc/73/55/31/659735531.db2.gz VBYFZNCPWBBOEH-BREBYQMCSA-N 2 1 251.330 -0.325 20 0 CBADMP CC[N@H+](CCC(=O)NC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000933862566 659744246 /nfs/dbraw/zinc/74/42/46/659744246.db2.gz JRSJKMCKEWQHSO-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+](CCC(=O)NC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000933862566 659744266 /nfs/dbraw/zinc/74/42/66/659744266.db2.gz JRSJKMCKEWQHSO-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CCC(=O)NC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000933862566 659744269 /nfs/dbraw/zinc/74/42/69/659744269.db2.gz JRSJKMCKEWQHSO-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CCC(=O)NC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000933862566 659744276 /nfs/dbraw/zinc/74/42/76/659744276.db2.gz JRSJKMCKEWQHSO-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CN1CCN(C[C@H](O)C[NH+]2CCCC2)CC[N@@H+](C)CC1 ZINC000933998572 659756714 /nfs/dbraw/zinc/75/67/14/659756714.db2.gz JXVFXNCYBHFMLL-OAHLLOKOSA-N 2 1 284.448 -0.378 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCF)CC2)C1 ZINC000990570502 659762265 /nfs/dbraw/zinc/76/22/65/659762265.db2.gz OUOZAQKSFFNNEL-LBPRGKRZSA-N 2 1 273.352 -0.133 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCF)CC2)C1 ZINC000990570502 659762289 /nfs/dbraw/zinc/76/22/89/659762289.db2.gz OUOZAQKSFFNNEL-LBPRGKRZSA-N 2 1 273.352 -0.133 20 0 CBADMP Cc1[nH+]ccn1CC[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC000934222018 659783076 /nfs/dbraw/zinc/78/30/76/659783076.db2.gz FMHPJKCNRKYURA-ZDUSSCGKSA-N 2 1 276.344 -0.078 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CC[C@H]2[C@@H]1CCC[NH+]2CCO)C1CC1 ZINC000934270747 659798649 /nfs/dbraw/zinc/79/86/49/659798649.db2.gz YCEAUCWLESNTIC-JYJNAYRXSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+](C[C@H](O)CN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)C1CC1 ZINC000934270747 659798657 /nfs/dbraw/zinc/79/86/57/659798657.db2.gz YCEAUCWLESNTIC-JYJNAYRXSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+](C[C@H](O)CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C1CC1 ZINC000934270747 659798670 /nfs/dbraw/zinc/79/86/70/659798670.db2.gz YCEAUCWLESNTIC-JYJNAYRXSA-N 2 1 297.443 -0.028 20 0 CBADMP C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000934967722 659813931 /nfs/dbraw/zinc/81/39/31/659813931.db2.gz XQZNMWWNSVVWEF-GXTWGEPZSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000934967722 659813933 /nfs/dbraw/zinc/81/39/33/659813933.db2.gz XQZNMWWNSVVWEF-GXTWGEPZSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)[NH+](C)C ZINC000991708334 659841542 /nfs/dbraw/zinc/84/15/42/659841542.db2.gz FKTBXKVVSDLFHE-YPMHNXCESA-N 2 1 296.415 -0.395 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991710299 659841554 /nfs/dbraw/zinc/84/15/54/659841554.db2.gz MNGJDSXYCDLZFU-AAEUAGOBSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000991710299 659841557 /nfs/dbraw/zinc/84/15/57/659841557.db2.gz MNGJDSXYCDLZFU-AAEUAGOBSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000991710299 659841558 /nfs/dbraw/zinc/84/15/58/659841558.db2.gz MNGJDSXYCDLZFU-AAEUAGOBSA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC000991749268 659844304 /nfs/dbraw/zinc/84/43/04/659844304.db2.gz QMJJTUIEUZLBRM-CYBMUJFWSA-N 2 1 294.399 -0.497 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)CC[N@H+]1C ZINC000995836034 659910290 /nfs/dbraw/zinc/91/02/90/659910290.db2.gz YZIYJIGRAKDACN-UTUOFQBUSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596693 659927459 /nfs/dbraw/zinc/92/74/59/659927459.db2.gz DVBRVHZCJRKBIH-YPMHNXCESA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596693 659927460 /nfs/dbraw/zinc/92/74/60/659927460.db2.gz DVBRVHZCJRKBIH-YPMHNXCESA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)Cn2ccnc2)CC[N@H+]1CCO ZINC000948090245 659965806 /nfs/dbraw/zinc/96/58/06/659965806.db2.gz HNDBSDZIFQDBRW-NEPJUHHUSA-N 2 1 266.345 -0.156 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076574589 805579863 /nfs/dbraw/zinc/57/98/63/805579863.db2.gz KUIFFCFIDXKMMH-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001076588001 805583894 /nfs/dbraw/zinc/58/38/94/805583894.db2.gz IGFLFHUJFIKPPS-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CN1CC[NH+](CCCNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000091310427 790371791 /nfs/dbraw/zinc/37/17/91/790371791.db2.gz FWRWRIHJSKCVKZ-CYBMUJFWSA-N 2 1 284.404 -0.881 20 0 CBADMP O=C(NC[C@H]1CCC[N@H+](CCO)C1)[C@@H]1CCC[NH2+]1 ZINC000135409912 790393347 /nfs/dbraw/zinc/39/33/47/790393347.db2.gz MJUPGOUCSKPQAS-NEPJUHHUSA-N 2 1 255.362 -0.441 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@H](C)COC)C1 ZINC000300262164 790468565 /nfs/dbraw/zinc/46/85/65/790468565.db2.gz PYQXYJCIXCGKPW-AGIUHOORSA-N 2 1 260.378 -0.060 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC1(O)CCOCC1 ZINC000381571003 790520419 /nfs/dbraw/zinc/52/04/19/790520419.db2.gz GOFWIBVIJLHFQI-ZDUSSCGKSA-N 2 1 272.389 -0.084 20 0 CBADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000382181657 790523101 /nfs/dbraw/zinc/52/31/01/790523101.db2.gz UCOLQCYBYNPGSS-UONOGXRCSA-N 2 1 271.405 -0.260 20 0 CBADMP O[C@H](CN1CCOCC1)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000382971027 790528100 /nfs/dbraw/zinc/52/81/00/790528100.db2.gz JJQQXWJBRWBWAI-HUUCEWRRSA-N 2 1 283.416 -0.150 20 0 CBADMP COCC(COC)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000384956374 790540397 /nfs/dbraw/zinc/54/03/97/790540397.db2.gz MPYTXAKIHWIYDC-LBPRGKRZSA-N 2 1 257.378 -0.373 20 0 CBADMP COCCOC[C@H](O)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392880032 790569174 /nfs/dbraw/zinc/56/91/74/790569174.db2.gz ROBYKDQRAFDVKQ-CYBMUJFWSA-N 2 1 258.362 -0.138 20 0 CBADMP COC[C@H](C)OC[C@@H](O)C[NH2+]CCc1c[nH+]cn1C ZINC000401710533 790607572 /nfs/dbraw/zinc/60/75/72/790607572.db2.gz HUFTZPYTGWPGGB-AAEUAGOBSA-N 2 1 271.361 -0.035 20 0 CBADMP CN(C)S(=O)(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405449847 790618344 /nfs/dbraw/zinc/61/83/44/790618344.db2.gz XKPYHPLNRWQZQX-VHSXEESVSA-N 2 1 261.391 -0.263 20 0 CBADMP CCO[C@@H]1C[N@@H+](C[C@H](O)CO[C@@H](C)COC)C[C@H]1C[NH3+] ZINC000405480990 790618669 /nfs/dbraw/zinc/61/86/69/790618669.db2.gz XHKOIZSKABTHMR-RFQIPJPRSA-N 2 1 290.404 -0.306 20 0 CBADMP C[N@H+](C[C@H](O)CN1CC[NH+](C)[C@@H](CO)C1)C1CC1 ZINC000687589080 790653587 /nfs/dbraw/zinc/65/35/87/790653587.db2.gz HCBUXTVWXCDQLI-OLZOCXBDSA-N 2 1 257.378 -0.950 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CC[NH+](C)[C@@H](CO)C1)C1CC1 ZINC000687589080 790653593 /nfs/dbraw/zinc/65/35/93/790653593.db2.gz HCBUXTVWXCDQLI-OLZOCXBDSA-N 2 1 257.378 -0.950 20 0 CBADMP C[NH+](C[C@H](O)CN1CC[N@H+](C)[C@@H](CO)C1)C1CC1 ZINC000687589080 790653598 /nfs/dbraw/zinc/65/35/98/790653598.db2.gz HCBUXTVWXCDQLI-OLZOCXBDSA-N 2 1 257.378 -0.950 20 0 CBADMP C[NH+](C[C@H](O)CN1CC[N@@H+](C)[C@@H](CO)C1)C1CC1 ZINC000687589080 790653601 /nfs/dbraw/zinc/65/36/01/790653601.db2.gz HCBUXTVWXCDQLI-OLZOCXBDSA-N 2 1 257.378 -0.950 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000690669414 790672057 /nfs/dbraw/zinc/67/20/57/790672057.db2.gz UAJPZOBQTNDGPI-SDDRHHMPSA-N 2 1 275.418 -0.002 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000695077033 790687171 /nfs/dbraw/zinc/68/71/71/790687171.db2.gz MYWZTHQMUBOGHN-QWRGUYRKSA-N 2 1 261.391 -0.309 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000695077033 790687173 /nfs/dbraw/zinc/68/71/73/790687173.db2.gz MYWZTHQMUBOGHN-QWRGUYRKSA-N 2 1 261.391 -0.309 20 0 CBADMP O[C@H](CN1CCOCC1)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000714976504 790751827 /nfs/dbraw/zinc/75/18/27/790751827.db2.gz WAPCERSMSTUPHV-RBSFLKMASA-N 2 1 283.416 -0.247 20 0 CBADMP O[C@H](CN1CCOCC1)C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000714976504 790751832 /nfs/dbraw/zinc/75/18/32/790751832.db2.gz WAPCERSMSTUPHV-RBSFLKMASA-N 2 1 283.416 -0.247 20 0 CBADMP [NH3+]CCOCC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000720435696 790765201 /nfs/dbraw/zinc/76/52/01/790765201.db2.gz JSAIMYXLWGQVCD-WDEREUQCSA-N 2 1 273.402 -0.342 20 0 CBADMP CN1CCC[C@H]2[C@H]1CC[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514012 790765982 /nfs/dbraw/zinc/76/59/82/790765982.db2.gz SMMDJDAQNPJWNI-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720830996 790771622 /nfs/dbraw/zinc/77/16/22/790771622.db2.gz URRXMHDVRWSSAK-VXGBXAGGSA-N 2 1 259.394 -0.405 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000720896740 790772593 /nfs/dbraw/zinc/77/25/93/790772593.db2.gz DJTAGSOKGNHCDT-NNYUYHANSA-N 2 1 253.346 -0.202 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH2+]CCO1 ZINC000720889858 790772904 /nfs/dbraw/zinc/77/29/04/790772904.db2.gz QDHVKCXCVVUIOK-QJPTWQEYSA-N 2 1 253.346 -0.330 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1CC[NH3+] ZINC000723901757 790801662 /nfs/dbraw/zinc/80/16/62/790801662.db2.gz KBAVMZAEBXPTDV-VXGBXAGGSA-N 2 1 275.418 -0.061 20 0 CBADMP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723672139 790802195 /nfs/dbraw/zinc/80/21/95/790802195.db2.gz JNPKLYRVFBVJLK-SNVBAGLBSA-N 2 1 256.350 -0.107 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723899527 790803645 /nfs/dbraw/zinc/80/36/45/790803645.db2.gz CWPVITWTAPTKNZ-MCIONIFRSA-N 2 1 273.421 -0.158 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723899527 790803660 /nfs/dbraw/zinc/80/36/60/790803660.db2.gz CWPVITWTAPTKNZ-MCIONIFRSA-N 3 1 273.421 -0.158 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723899527 790803676 /nfs/dbraw/zinc/80/36/76/790803676.db2.gz CWPVITWTAPTKNZ-MCIONIFRSA-N 3 1 273.421 -0.158 20 0 CBADMP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723899527 790803690 /nfs/dbraw/zinc/80/36/90/790803690.db2.gz CWPVITWTAPTKNZ-MCIONIFRSA-N 3 1 273.421 -0.158 20 0 CBADMP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723899527 790803706 /nfs/dbraw/zinc/80/37/06/790803706.db2.gz CWPVITWTAPTKNZ-MCIONIFRSA-N 3 1 273.421 -0.158 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724575821 790808380 /nfs/dbraw/zinc/80/83/80/790808380.db2.gz CRROBYUNIWRMEE-HZSPNIEDSA-N 2 1 269.389 -0.373 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NC2CC([NH+](C)C)C2)C1 ZINC000908011660 790912495 /nfs/dbraw/zinc/91/24/95/790912495.db2.gz ORYJDNFSFLIPRQ-UHFFFAOYSA-N 2 1 268.405 -0.311 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001021906642 790968573 /nfs/dbraw/zinc/96/85/73/790968573.db2.gz UCFOSCJQYJIXHC-USZNOCQGSA-N 2 1 282.388 -0.419 20 0 CBADMP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001021895241 790965596 /nfs/dbraw/zinc/96/55/96/790965596.db2.gz JOBLXINGKZYVOS-LOWVWBTDSA-N 2 1 292.387 -0.354 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001022076962 790987051 /nfs/dbraw/zinc/98/70/51/790987051.db2.gz GSIYGAMVCAMHEP-NDBYEHHHSA-N 2 1 294.399 -0.417 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001022068045 790987694 /nfs/dbraw/zinc/98/76/94/790987694.db2.gz CUIBSZQGWVKMAL-WUHRBBMRSA-N 2 1 296.415 -0.030 20 0 CBADMP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001022119757 790991272 /nfs/dbraw/zinc/99/12/72/790991272.db2.gz HQMVDZHXBSNZFF-YVECIDJPSA-N 2 1 283.372 -0.921 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022292691 791002647 /nfs/dbraw/zinc/00/26/47/791002647.db2.gz PQZHVYBWOURILT-QNWHQSFQSA-N 2 1 294.399 -0.404 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022584788 791028871 /nfs/dbraw/zinc/02/88/71/791028871.db2.gz FWGILUNLWOOHAQ-UPJWGTAASA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022717168 791040336 /nfs/dbraw/zinc/04/03/36/791040336.db2.gz RRFGRQKQTAFYMZ-WISYIIOYSA-N 2 1 255.362 -0.587 20 0 CBADMP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)C(N)=O ZINC001022712255 791041459 /nfs/dbraw/zinc/04/14/59/791041459.db2.gz NNWHXSVFUYXVPQ-WHOHXGKFSA-N 2 1 282.388 -0.419 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001147894160 814924210 /nfs/dbraw/zinc/92/42/10/814924210.db2.gz ZRXANHPLUIFIBX-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001076987451 805668891 /nfs/dbraw/zinc/66/88/91/805668891.db2.gz RRNKYQPNCVTFBH-HZSPNIEDSA-N 2 1 299.415 -0.333 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001076987451 805668898 /nfs/dbraw/zinc/66/88/98/805668898.db2.gz RRNKYQPNCVTFBH-HZSPNIEDSA-N 2 1 299.415 -0.333 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076987451 805668907 /nfs/dbraw/zinc/66/89/07/805668907.db2.gz RRNKYQPNCVTFBH-HZSPNIEDSA-N 2 1 299.415 -0.333 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001076987451 805668915 /nfs/dbraw/zinc/66/89/15/805668915.db2.gz RRNKYQPNCVTFBH-HZSPNIEDSA-N 2 1 299.415 -0.333 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001076987144 805669181 /nfs/dbraw/zinc/66/91/81/805669181.db2.gz DNEOUVJFJAZPMV-HZSPNIEDSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001076987144 805669186 /nfs/dbraw/zinc/66/91/86/805669186.db2.gz DNEOUVJFJAZPMV-HZSPNIEDSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001076987144 805669192 /nfs/dbraw/zinc/66/91/92/805669192.db2.gz DNEOUVJFJAZPMV-HZSPNIEDSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999003 805672101 /nfs/dbraw/zinc/67/21/01/805672101.db2.gz AEBYMKLCQRCGDF-CHWSQXEVSA-N 2 1 299.415 -0.596 20 0 CBADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999003 805672102 /nfs/dbraw/zinc/67/21/02/805672102.db2.gz AEBYMKLCQRCGDF-CHWSQXEVSA-N 2 1 299.415 -0.596 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077024498 805674226 /nfs/dbraw/zinc/67/42/26/805674226.db2.gz AEMCODHOWBZWSY-FDYHWXHSSA-N 2 1 269.389 -0.102 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077024498 805674237 /nfs/dbraw/zinc/67/42/37/805674237.db2.gz AEMCODHOWBZWSY-FDYHWXHSSA-N 2 1 269.389 -0.102 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077024498 805674243 /nfs/dbraw/zinc/67/42/43/805674243.db2.gz AEMCODHOWBZWSY-FDYHWXHSSA-N 2 1 269.389 -0.102 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001147893798 814924227 /nfs/dbraw/zinc/92/42/27/814924227.db2.gz UAZLWHBCLNORHI-LBPRGKRZSA-N 2 1 280.376 -0.674 20 0 CBADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077280875 805708433 /nfs/dbraw/zinc/70/84/33/805708433.db2.gz OMGHVUZCNASFLB-HZSPNIEDSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077280875 805708441 /nfs/dbraw/zinc/70/84/41/805708441.db2.gz OMGHVUZCNASFLB-HZSPNIEDSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077280875 805708447 /nfs/dbraw/zinc/70/84/47/805708447.db2.gz OMGHVUZCNASFLB-HZSPNIEDSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077280875 805708451 /nfs/dbraw/zinc/70/84/51/805708451.db2.gz OMGHVUZCNASFLB-HZSPNIEDSA-N 2 1 299.415 -0.740 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147886581 814924601 /nfs/dbraw/zinc/92/46/01/814924601.db2.gz XZPZTGJQOKBMBB-NEPJUHHUSA-N 2 1 273.377 -0.959 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147886325 814924676 /nfs/dbraw/zinc/92/46/76/814924676.db2.gz UIQJVRIOJGYVRI-CYBMUJFWSA-N 2 1 298.431 -0.194 20 0 CBADMP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392812 805725934 /nfs/dbraw/zinc/72/59/34/805725934.db2.gz ROBYJUKAXSNJPQ-JHJVBQTASA-N 2 1 296.371 -0.612 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392812 805725939 /nfs/dbraw/zinc/72/59/39/805725939.db2.gz ROBYJUKAXSNJPQ-JHJVBQTASA-N 2 1 296.371 -0.612 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)CC1 ZINC001077618238 805755772 /nfs/dbraw/zinc/75/57/72/805755772.db2.gz CLZYNYNUYNXIAO-ZIAGYGMSSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)c1nncn1C ZINC001147886283 814925056 /nfs/dbraw/zinc/92/50/56/814925056.db2.gz SZMXOYIYNRHZBZ-NEPJUHHUSA-N 2 1 294.403 -0.076 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1nncn1C ZINC001147886283 814925060 /nfs/dbraw/zinc/92/50/60/814925060.db2.gz SZMXOYIYNRHZBZ-NEPJUHHUSA-N 2 1 294.403 -0.076 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077680650 805768089 /nfs/dbraw/zinc/76/80/89/805768089.db2.gz QLMIEYRONKHGIZ-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001077680650 805768099 /nfs/dbraw/zinc/76/80/99/805768099.db2.gz QLMIEYRONKHGIZ-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001077680650 805768106 /nfs/dbraw/zinc/76/81/06/805768106.db2.gz QLMIEYRONKHGIZ-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778366 805781259 /nfs/dbraw/zinc/78/12/59/805781259.db2.gz FYUQCEZUXWVFQP-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077779275 805784620 /nfs/dbraw/zinc/78/46/20/805784620.db2.gz IBQRPIFQBOZGIY-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011708 805824765 /nfs/dbraw/zinc/82/47/65/805824765.db2.gz CPDJPPICVSDLAS-YNEHKIRRSA-N 2 1 299.390 -0.008 20 0 CBADMP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179159 805852775 /nfs/dbraw/zinc/85/27/75/805852775.db2.gz VNOOKIBYKZYJFI-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179159 805852784 /nfs/dbraw/zinc/85/27/84/805852784.db2.gz VNOOKIBYKZYJFI-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180080 805853659 /nfs/dbraw/zinc/85/36/59/805853659.db2.gz LVOZYNXBICLOLY-VXGBXAGGSA-N 2 1 255.362 -0.348 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180080 805853671 /nfs/dbraw/zinc/85/36/71/805853671.db2.gz LVOZYNXBICLOLY-VXGBXAGGSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079527739 805923919 /nfs/dbraw/zinc/92/39/19/805923919.db2.gz CQJKFPXZOWFVIO-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079527739 805923925 /nfs/dbraw/zinc/92/39/25/805923925.db2.gz CQJKFPXZOWFVIO-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001079527739 805923930 /nfs/dbraw/zinc/92/39/30/805923930.db2.gz CQJKFPXZOWFVIO-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001079527739 805923934 /nfs/dbraw/zinc/92/39/34/805923934.db2.gz CQJKFPXZOWFVIO-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2C)C1 ZINC001080318289 805970552 /nfs/dbraw/zinc/97/05/52/805970552.db2.gz MNCQKXOYHGRWAA-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2C)C1 ZINC001080318289 805970560 /nfs/dbraw/zinc/97/05/60/805970560.db2.gz MNCQKXOYHGRWAA-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2C)C1 ZINC001080318289 805970564 /nfs/dbraw/zinc/97/05/64/805970564.db2.gz MNCQKXOYHGRWAA-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2C)C1 ZINC001080318289 805970569 /nfs/dbraw/zinc/97/05/69/805970569.db2.gz MNCQKXOYHGRWAA-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080377127 805976017 /nfs/dbraw/zinc/97/60/17/805976017.db2.gz BTFSGMQVUOQNSG-DGCLKSJQSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080377127 805976023 /nfs/dbraw/zinc/97/60/23/805976023.db2.gz BTFSGMQVUOQNSG-DGCLKSJQSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080787718 806009294 /nfs/dbraw/zinc/00/92/94/806009294.db2.gz OYWUMNTYCRSKTF-VXGBXAGGSA-N 2 1 294.399 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080787718 806009299 /nfs/dbraw/zinc/00/92/99/806009299.db2.gz OYWUMNTYCRSKTF-VXGBXAGGSA-N 2 1 294.399 -0.735 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001080947924 806016412 /nfs/dbraw/zinc/01/64/12/806016412.db2.gz UFXGAZPHZOXHHA-ZYHUDNBSSA-N 2 1 266.345 -0.380 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001080947924 806016417 /nfs/dbraw/zinc/01/64/17/806016417.db2.gz UFXGAZPHZOXHHA-ZYHUDNBSSA-N 2 1 266.345 -0.380 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694887 806115820 /nfs/dbraw/zinc/11/58/20/806115820.db2.gz WEWMHYKOCYINLM-FDYHWXHSSA-N 2 1 285.388 -0.866 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081694887 806115829 /nfs/dbraw/zinc/11/58/29/806115829.db2.gz WEWMHYKOCYINLM-FDYHWXHSSA-N 2 1 285.388 -0.866 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081694887 806115835 /nfs/dbraw/zinc/11/58/35/806115835.db2.gz WEWMHYKOCYINLM-FDYHWXHSSA-N 2 1 285.388 -0.866 20 0 CBADMP COCCN1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082132685 806149300 /nfs/dbraw/zinc/14/93/00/806149300.db2.gz NIAATVVDKFZUMG-BFHYXJOUSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082132685 806149304 /nfs/dbraw/zinc/14/93/04/806149304.db2.gz NIAATVVDKFZUMG-BFHYXJOUSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082132685 806149307 /nfs/dbraw/zinc/14/93/07/806149307.db2.gz NIAATVVDKFZUMG-BFHYXJOUSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082132685 806149315 /nfs/dbraw/zinc/14/93/15/806149315.db2.gz NIAATVVDKFZUMG-BFHYXJOUSA-N 2 1 299.415 -0.210 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369835 806171105 /nfs/dbraw/zinc/17/11/05/806171105.db2.gz FFJASMSLRPODMD-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082369835 806171109 /nfs/dbraw/zinc/17/11/09/806171109.db2.gz FFJASMSLRPODMD-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082369835 806171111 /nfs/dbraw/zinc/17/11/11/806171111.db2.gz FFJASMSLRPODMD-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371000 806171678 /nfs/dbraw/zinc/17/16/78/806171678.db2.gz NFSJDPDOEYXEGV-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371000 806171684 /nfs/dbraw/zinc/17/16/84/806171684.db2.gz NFSJDPDOEYXEGV-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082741305 806193346 /nfs/dbraw/zinc/19/33/46/806193346.db2.gz WRCHTQJKZUXJDE-IJLUTSLNSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(N)=O ZINC001082862087 806196539 /nfs/dbraw/zinc/19/65/39/806196539.db2.gz YDEFGDFZCQMPFH-IJLUTSLNSA-N 2 1 282.388 -0.750 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082943367 806198663 /nfs/dbraw/zinc/19/86/63/806198663.db2.gz GKAUTVIEXYBNRJ-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21)[NH+](C)C ZINC001083195858 806236489 /nfs/dbraw/zinc/23/64/89/806236489.db2.gz RYJCHDAWLHCILZ-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21)[NH+](C)C ZINC001083195858 806236490 /nfs/dbraw/zinc/23/64/90/806236490.db2.gz RYJCHDAWLHCILZ-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373132 806289098 /nfs/dbraw/zinc/28/90/98/806289098.db2.gz STGHAZGWQSMLOS-UTUOFQBUSA-N 2 1 255.362 -0.348 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373132 806289103 /nfs/dbraw/zinc/28/91/03/806289103.db2.gz STGHAZGWQSMLOS-UTUOFQBUSA-N 2 1 255.362 -0.348 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083373132 806289107 /nfs/dbraw/zinc/28/91/07/806289107.db2.gz STGHAZGWQSMLOS-UTUOFQBUSA-N 2 1 255.362 -0.348 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083373132 806289112 /nfs/dbraw/zinc/28/91/12/806289112.db2.gz STGHAZGWQSMLOS-UTUOFQBUSA-N 2 1 255.362 -0.348 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083465808 806335184 /nfs/dbraw/zinc/33/51/84/806335184.db2.gz TWSIUIJEODEWAE-MCIONIFRSA-N 2 1 299.390 -0.151 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472177 806335752 /nfs/dbraw/zinc/33/57/52/806335752.db2.gz JZENJJJLFGOBMH-LPWJVIDDSA-N 2 1 269.389 -0.104 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472177 806335760 /nfs/dbraw/zinc/33/57/60/806335760.db2.gz JZENJJJLFGOBMH-LPWJVIDDSA-N 2 1 269.389 -0.104 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472177 806335772 /nfs/dbraw/zinc/33/57/72/806335772.db2.gz JZENJJJLFGOBMH-LPWJVIDDSA-N 2 1 269.389 -0.104 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083525037 806355299 /nfs/dbraw/zinc/35/52/99/806355299.db2.gz WOPJQJLQAQYHRQ-MJBXVCDLSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083525037 806355308 /nfs/dbraw/zinc/35/53/08/806355308.db2.gz WOPJQJLQAQYHRQ-MJBXVCDLSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083525037 806355317 /nfs/dbraw/zinc/35/53/17/806355317.db2.gz WOPJQJLQAQYHRQ-MJBXVCDLSA-N 2 1 299.415 -0.597 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655059 806394707 /nfs/dbraw/zinc/39/47/07/806394707.db2.gz STIAPRISODZIJJ-DPWYMPPLSA-N 2 1 295.383 -0.969 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655059 806394713 /nfs/dbraw/zinc/39/47/13/806394713.db2.gz STIAPRISODZIJJ-DPWYMPPLSA-N 2 1 295.383 -0.969 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655059 806394719 /nfs/dbraw/zinc/39/47/19/806394719.db2.gz STIAPRISODZIJJ-DPWYMPPLSA-N 2 1 295.383 -0.969 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001083734172 806417613 /nfs/dbraw/zinc/41/76/13/806417613.db2.gz UGQLCWXACXGKOS-BNOWGMLFSA-N 2 1 292.383 -0.065 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001083734172 806417617 /nfs/dbraw/zinc/41/76/17/806417617.db2.gz UGQLCWXACXGKOS-BNOWGMLFSA-N 2 1 292.383 -0.065 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750502 806423591 /nfs/dbraw/zinc/42/35/91/806423591.db2.gz ZPDMZSNUHVKLOT-NEPJUHHUSA-N 2 1 255.362 -0.491 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781516 806430295 /nfs/dbraw/zinc/43/02/95/806430295.db2.gz KOYAXWFXTYOIGW-XQQFMLRXSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781516 806430299 /nfs/dbraw/zinc/43/02/99/806430299.db2.gz KOYAXWFXTYOIGW-XQQFMLRXSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781516 806430307 /nfs/dbraw/zinc/43/03/07/806430307.db2.gz KOYAXWFXTYOIGW-XQQFMLRXSA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057268 806480577 /nfs/dbraw/zinc/48/05/77/806480577.db2.gz COZQNCFERFWWTH-XQQFMLRXSA-N 2 1 287.379 -0.008 20 0 CBADMP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057268 806480581 /nfs/dbraw/zinc/48/05/81/806480581.db2.gz COZQNCFERFWWTH-XQQFMLRXSA-N 2 1 287.379 -0.008 20 0 CBADMP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084054151 806480853 /nfs/dbraw/zinc/48/08/53/806480853.db2.gz YLVXEMLSZOUZOZ-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084054151 806480857 /nfs/dbraw/zinc/48/08/57/806480857.db2.gz YLVXEMLSZOUZOZ-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084054151 806480863 /nfs/dbraw/zinc/48/08/63/806480863.db2.gz YLVXEMLSZOUZOZ-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084079074 806486614 /nfs/dbraw/zinc/48/66/14/806486614.db2.gz VFHCKJCJUOJYLQ-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084079074 806486620 /nfs/dbraw/zinc/48/66/20/806486620.db2.gz VFHCKJCJUOJYLQ-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001084079074 806486625 /nfs/dbraw/zinc/48/66/25/806486625.db2.gz VFHCKJCJUOJYLQ-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001084079074 806486631 /nfs/dbraw/zinc/48/66/31/806486631.db2.gz VFHCKJCJUOJYLQ-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21)C1CC1 ZINC001084407399 806517569 /nfs/dbraw/zinc/51/75/69/806517569.db2.gz VDBROBTZXDBQNX-MCIONIFRSA-N 2 1 281.400 -0.148 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085152531 806548583 /nfs/dbraw/zinc/54/85/83/806548583.db2.gz HYFMCPUUHCPHNO-IJLUTSLNSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085332360 806554177 /nfs/dbraw/zinc/55/41/77/806554177.db2.gz UNYMGCJCNMVLJW-YNEHKIRRSA-N 2 1 296.415 -0.027 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085598206 806584027 /nfs/dbraw/zinc/58/40/27/806584027.db2.gz OYUZMADOMHIQPG-KBPBESRZSA-N 2 1 281.400 -0.147 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085972967 806628051 /nfs/dbraw/zinc/62/80/51/806628051.db2.gz LSFCJXLINIARRO-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085972967 806628053 /nfs/dbraw/zinc/62/80/53/806628053.db2.gz LSFCJXLINIARRO-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085972967 806628056 /nfs/dbraw/zinc/62/80/56/806628056.db2.gz LSFCJXLINIARRO-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085973519 806630357 /nfs/dbraw/zinc/63/03/57/806630357.db2.gz YXDHLQBMIONSPX-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085973519 806630360 /nfs/dbraw/zinc/63/03/60/806630360.db2.gz YXDHLQBMIONSPX-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085973519 806630365 /nfs/dbraw/zinc/63/03/65/806630365.db2.gz YXDHLQBMIONSPX-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086046201 806638644 /nfs/dbraw/zinc/63/86/44/806638644.db2.gz OSUSFVLHSVLQRC-YVECIDJPSA-N 2 1 294.399 -0.547 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086046198 806639337 /nfs/dbraw/zinc/63/93/37/806639337.db2.gz OSUSFVLHSVLQRC-QNWHQSFQSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086052504 806640886 /nfs/dbraw/zinc/64/08/86/806640886.db2.gz MQKNFSISLPDFFQ-FVCCEPFGSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086052504 806640888 /nfs/dbraw/zinc/64/08/88/806640888.db2.gz MQKNFSISLPDFFQ-FVCCEPFGSA-N 2 1 285.388 -0.818 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001022973532 798871039 /nfs/dbraw/zinc/87/10/39/798871039.db2.gz OBJMAIPRRJPRPR-FVCCEPFGSA-N 2 1 294.399 -0.547 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001023084067 798879361 /nfs/dbraw/zinc/87/93/61/798879361.db2.gz HUNMOOBDDCHNLQ-UPJWGTAASA-N 2 1 294.399 -0.593 20 0 CBADMP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023084433 798879685 /nfs/dbraw/zinc/87/96/85/798879685.db2.gz OXUSBRVINFWDQI-SDDRHHMPSA-N 2 1 292.387 -0.496 20 0 CBADMP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023084434 798879789 /nfs/dbraw/zinc/87/97/89/798879789.db2.gz OXUSBRVINFWDQI-UTUOFQBUSA-N 2 1 292.387 -0.496 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001023086667 798879895 /nfs/dbraw/zinc/87/98/95/798879895.db2.gz SZASUUBNTYJYKE-NNYUYHANSA-N 2 1 282.388 -0.561 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001023088734 798881517 /nfs/dbraw/zinc/88/15/17/798881517.db2.gz GOGYIUXSJLTUJL-TXEJJXNPSA-N 2 1 292.387 -0.352 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001023093845 798881718 /nfs/dbraw/zinc/88/17/18/798881718.db2.gz PPXIJKIQARJVKO-ZMLRMANQSA-N 2 1 266.345 -0.191 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001023128669 798885308 /nfs/dbraw/zinc/88/53/08/798885308.db2.gz OBEZOPXPIHQYGN-FVCCEPFGSA-N 2 1 296.415 -0.029 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCO)C1 ZINC001023275263 798897623 /nfs/dbraw/zinc/89/76/23/798897623.db2.gz HJBLTKPQEYEYSV-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001023275263 798897626 /nfs/dbraw/zinc/89/76/26/798897626.db2.gz HJBLTKPQEYEYSV-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001023275263 798897628 /nfs/dbraw/zinc/89/76/28/798897628.db2.gz HJBLTKPQEYEYSV-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001023377624 798903352 /nfs/dbraw/zinc/90/33/52/798903352.db2.gz RQOVQKLGBUIETH-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001023377624 798903354 /nfs/dbraw/zinc/90/33/54/798903354.db2.gz RQOVQKLGBUIETH-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001023377624 798903358 /nfs/dbraw/zinc/90/33/58/798903358.db2.gz RQOVQKLGBUIETH-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001023377624 798903360 /nfs/dbraw/zinc/90/33/60/798903360.db2.gz RQOVQKLGBUIETH-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001023445742 798906399 /nfs/dbraw/zinc/90/63/99/798906399.db2.gz ADERGRZEUKPENL-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001023445742 798906404 /nfs/dbraw/zinc/90/64/04/798906404.db2.gz ADERGRZEUKPENL-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001023445742 798906409 /nfs/dbraw/zinc/90/64/09/798906409.db2.gz ADERGRZEUKPENL-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001023445742 798906414 /nfs/dbraw/zinc/90/64/14/798906414.db2.gz ADERGRZEUKPENL-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCCO)C1 ZINC001024376151 798935366 /nfs/dbraw/zinc/93/53/66/798935366.db2.gz ZLPSDPVUQIVJNS-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCCO)C1 ZINC001024376151 798935367 /nfs/dbraw/zinc/93/53/67/798935367.db2.gz ZLPSDPVUQIVJNS-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCCO)C1 ZINC001024376151 798935369 /nfs/dbraw/zinc/93/53/69/798935369.db2.gz ZLPSDPVUQIVJNS-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCCO)C1 ZINC001024376151 798935371 /nfs/dbraw/zinc/93/53/71/798935371.db2.gz ZLPSDPVUQIVJNS-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001024797522 798947515 /nfs/dbraw/zinc/94/75/15/798947515.db2.gz OXGTUSFFKCHJKR-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001024797522 798947522 /nfs/dbraw/zinc/94/75/22/798947522.db2.gz OXGTUSFFKCHJKR-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001024797522 798947527 /nfs/dbraw/zinc/94/75/27/798947527.db2.gz OXGTUSFFKCHJKR-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001024797522 798947532 /nfs/dbraw/zinc/94/75/32/798947532.db2.gz OXGTUSFFKCHJKR-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001025707990 798972389 /nfs/dbraw/zinc/97/23/89/798972389.db2.gz HDAHCSFMGKEUDG-ZIQFBCGOSA-N 2 1 280.372 -0.999 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001025707990 798972392 /nfs/dbraw/zinc/97/23/92/798972392.db2.gz HDAHCSFMGKEUDG-ZIQFBCGOSA-N 2 1 280.372 -0.999 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001025707990 798972395 /nfs/dbraw/zinc/97/23/95/798972395.db2.gz HDAHCSFMGKEUDG-ZIQFBCGOSA-N 2 1 280.372 -0.999 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001025707990 798972397 /nfs/dbraw/zinc/97/23/97/798972397.db2.gz HDAHCSFMGKEUDG-ZIQFBCGOSA-N 2 1 280.372 -0.999 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001025787213 798976156 /nfs/dbraw/zinc/97/61/56/798976156.db2.gz AROKOIFXSCBENA-HWKXDMQWSA-N 2 1 293.411 -0.245 20 0 CBADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025799044 798976644 /nfs/dbraw/zinc/97/66/44/798976644.db2.gz QLHFHQFOPFVXOK-ODXJTPSBSA-N 2 1 279.384 -0.084 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025799044 798976649 /nfs/dbraw/zinc/97/66/49/798976649.db2.gz QLHFHQFOPFVXOK-ODXJTPSBSA-N 2 1 279.384 -0.084 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025799044 798976651 /nfs/dbraw/zinc/97/66/51/798976651.db2.gz QLHFHQFOPFVXOK-ODXJTPSBSA-N 2 1 279.384 -0.084 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001026043393 798987097 /nfs/dbraw/zinc/98/70/97/798987097.db2.gz OZNLILHYWWNDSW-MOWSAHLDSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001026043393 798987105 /nfs/dbraw/zinc/98/71/05/798987105.db2.gz OZNLILHYWWNDSW-MOWSAHLDSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001026043393 798987110 /nfs/dbraw/zinc/98/71/10/798987110.db2.gz OZNLILHYWWNDSW-MOWSAHLDSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001026043393 798987116 /nfs/dbraw/zinc/98/71/16/798987116.db2.gz OZNLILHYWWNDSW-MOWSAHLDSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001026040910 798987878 /nfs/dbraw/zinc/98/78/78/798987878.db2.gz ZGTPSHQKUONGTE-GGAZOKNXSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001026040910 798987880 /nfs/dbraw/zinc/98/78/80/798987880.db2.gz ZGTPSHQKUONGTE-GGAZOKNXSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001026040910 798987882 /nfs/dbraw/zinc/98/78/82/798987882.db2.gz ZGTPSHQKUONGTE-GGAZOKNXSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001026043395 798987959 /nfs/dbraw/zinc/98/79/59/798987959.db2.gz OZNLILHYWWNDSW-SVPLCASGSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001026043395 798987961 /nfs/dbraw/zinc/98/79/61/798987961.db2.gz OZNLILHYWWNDSW-SVPLCASGSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001026043395 798987965 /nfs/dbraw/zinc/98/79/65/798987965.db2.gz OZNLILHYWWNDSW-SVPLCASGSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001026043395 798987969 /nfs/dbraw/zinc/98/79/69/798987969.db2.gz OZNLILHYWWNDSW-SVPLCASGSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001026140348 798990388 /nfs/dbraw/zinc/99/03/88/798990388.db2.gz HWEXHSMRLWBCNX-ZXPJVPCYSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001026140348 798990394 /nfs/dbraw/zinc/99/03/94/798990394.db2.gz HWEXHSMRLWBCNX-ZXPJVPCYSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001026140348 798990398 /nfs/dbraw/zinc/99/03/98/798990398.db2.gz HWEXHSMRLWBCNX-ZXPJVPCYSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001026140348 798990404 /nfs/dbraw/zinc/99/04/04/798990404.db2.gz HWEXHSMRLWBCNX-ZXPJVPCYSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001026148586 798992913 /nfs/dbraw/zinc/99/29/13/798992913.db2.gz QTYILLLIEXFVLV-HSKKSDQVSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001026148586 798992917 /nfs/dbraw/zinc/99/29/17/798992917.db2.gz QTYILLLIEXFVLV-HSKKSDQVSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001026148586 798992919 /nfs/dbraw/zinc/99/29/19/798992919.db2.gz QTYILLLIEXFVLV-HSKKSDQVSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001026148586 798992922 /nfs/dbraw/zinc/99/29/22/798992922.db2.gz QTYILLLIEXFVLV-HSKKSDQVSA-N 2 1 294.399 -0.609 20 0 CBADMP 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 798993065 /nfs/dbraw/zinc/99/30/65/798993065.db2.gz VKQJEULRYFUBRC-FHUSYTEZSA-N 2 1 294.399 -0.881 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001026145890 798993070 /nfs/dbraw/zinc/99/30/70/798993070.db2.gz VKQJEULRYFUBRC-FHUSYTEZSA-N 2 1 294.399 -0.881 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001026145890 798993072 /nfs/dbraw/zinc/99/30/72/798993072.db2.gz VKQJEULRYFUBRC-FHUSYTEZSA-N 2 1 294.399 -0.881 20 0 CBADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001026148587 798993229 /nfs/dbraw/zinc/99/32/29/798993229.db2.gz QTYILLLIEXFVLV-QHUBEEEXSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001026148587 798993233 /nfs/dbraw/zinc/99/32/33/798993233.db2.gz QTYILLLIEXFVLV-QHUBEEEXSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026561314 799009718 /nfs/dbraw/zinc/00/97/18/799009718.db2.gz VOCYYHSOGQOHFW-PNESKVBLSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cnon3)C2)C1 ZINC001027216871 799033847 /nfs/dbraw/zinc/03/38/47/799033847.db2.gz YNWOBYISTSALSW-VXGBXAGGSA-N 2 1 293.371 -0.041 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH+](C)CC(N)=O)C1 ZINC001027576830 799058575 /nfs/dbraw/zinc/05/85/75/799058575.db2.gz XTLYBOHTHCGPID-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH+](C)CC(N)=O)C1 ZINC001027576830 799058582 /nfs/dbraw/zinc/05/85/82/799058582.db2.gz XTLYBOHTHCGPID-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001027576830 799058587 /nfs/dbraw/zinc/05/85/87/799058587.db2.gz XTLYBOHTHCGPID-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001027576830 799058594 /nfs/dbraw/zinc/05/85/94/799058594.db2.gz XTLYBOHTHCGPID-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+](C)CC(N)=O)C2)C1 ZINC001027575754 799059093 /nfs/dbraw/zinc/05/90/93/799059093.db2.gz DJNNBMLFUDIMRO-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH+](C)CC(N)=O)C2)C1 ZINC001027575754 799059096 /nfs/dbraw/zinc/05/90/96/799059096.db2.gz DJNNBMLFUDIMRO-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)C1 ZINC001027575754 799059100 /nfs/dbraw/zinc/05/91/00/799059100.db2.gz DJNNBMLFUDIMRO-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC001027575754 799059103 /nfs/dbraw/zinc/05/91/03/799059103.db2.gz DJNNBMLFUDIMRO-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681663 799064032 /nfs/dbraw/zinc/06/40/32/799064032.db2.gz ADXNAFAKDWJGLT-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001028446446 799137898 /nfs/dbraw/zinc/13/78/98/799137898.db2.gz GIGBNCPNXLLECO-MNOVXSKESA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001028446446 799137899 /nfs/dbraw/zinc/13/78/99/799137899.db2.gz GIGBNCPNXLLECO-MNOVXSKESA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028446446 799137903 /nfs/dbraw/zinc/13/79/03/799137903.db2.gz GIGBNCPNXLLECO-MNOVXSKESA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCO)C1 ZINC001028445917 799138411 /nfs/dbraw/zinc/13/84/11/799138411.db2.gz XHUAOPZIERXUDQ-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001028445917 799138415 /nfs/dbraw/zinc/13/84/15/799138415.db2.gz XHUAOPZIERXUDQ-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001028445917 799138419 /nfs/dbraw/zinc/13/84/19/799138419.db2.gz XHUAOPZIERXUDQ-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001028635953 799156012 /nfs/dbraw/zinc/15/60/12/799156012.db2.gz HYTFXFLAJAMMCN-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001028635953 799156016 /nfs/dbraw/zinc/15/60/16/799156016.db2.gz HYTFXFLAJAMMCN-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028635953 799156020 /nfs/dbraw/zinc/15/60/20/799156020.db2.gz HYTFXFLAJAMMCN-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001028762149 799168509 /nfs/dbraw/zinc/16/85/09/799168509.db2.gz GWFGJTSOHRVDHI-AVGNSLFASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001028762149 799168512 /nfs/dbraw/zinc/16/85/12/799168512.db2.gz GWFGJTSOHRVDHI-AVGNSLFASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001028762149 799168514 /nfs/dbraw/zinc/16/85/14/799168514.db2.gz GWFGJTSOHRVDHI-AVGNSLFASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028778814 799169989 /nfs/dbraw/zinc/16/99/89/799169989.db2.gz MFTVFTKKWNYTJM-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028933736 799181184 /nfs/dbraw/zinc/18/11/84/799181184.db2.gz SRJPAGBBZMPPAC-OLZOCXBDSA-N 2 1 281.400 -0.099 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028985257 799184986 /nfs/dbraw/zinc/18/49/86/799184986.db2.gz JYCMPVOMXPFYFP-NEPJUHHUSA-N 2 1 282.388 -0.878 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028985257 799184988 /nfs/dbraw/zinc/18/49/88/799184988.db2.gz JYCMPVOMXPFYFP-NEPJUHHUSA-N 2 1 282.388 -0.878 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028985257 799184990 /nfs/dbraw/zinc/18/49/90/799184990.db2.gz JYCMPVOMXPFYFP-NEPJUHHUSA-N 2 1 282.388 -0.878 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029552771 799202329 /nfs/dbraw/zinc/20/23/29/799202329.db2.gz CVKUMIGLOLEHTH-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001029552771 799202331 /nfs/dbraw/zinc/20/23/31/799202331.db2.gz CVKUMIGLOLEHTH-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001029552771 799202335 /nfs/dbraw/zinc/20/23/35/799202335.db2.gz CVKUMIGLOLEHTH-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP CC[C@H](C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1)OC ZINC001031596454 799517199 /nfs/dbraw/zinc/51/71/99/799517199.db2.gz LJROGYADUWOANQ-ZIAGYGMSSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[C@H](C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1)OC ZINC001031596454 799517203 /nfs/dbraw/zinc/51/72/03/799517203.db2.gz LJROGYADUWOANQ-ZIAGYGMSSA-N 2 1 299.415 -0.210 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031666931 799530173 /nfs/dbraw/zinc/53/01/73/799530173.db2.gz UIPILDIPXLMFSE-CYBMUJFWSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681384 799532248 /nfs/dbraw/zinc/53/22/48/799532248.db2.gz PEXLISQTFLIKTG-RAIGVLPGSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681384 799532253 /nfs/dbraw/zinc/53/22/53/799532253.db2.gz PEXLISQTFLIKTG-RAIGVLPGSA-N 2 1 296.415 -0.362 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681254 799532403 /nfs/dbraw/zinc/53/24/03/799532403.db2.gz KLUDTFMKLAAOKB-NTZNESFSSA-N 2 1 296.415 -0.491 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681254 799532406 /nfs/dbraw/zinc/53/24/06/799532406.db2.gz KLUDTFMKLAAOKB-NTZNESFSSA-N 2 1 296.415 -0.491 20 0 CBADMP COC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765642 799541852 /nfs/dbraw/zinc/54/18/52/799541852.db2.gz KDUHWCMHTLFZQV-OUCADQQQSA-N 2 1 299.415 -0.212 20 0 CBADMP COC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765642 799541855 /nfs/dbraw/zinc/54/18/55/799541855.db2.gz KDUHWCMHTLFZQV-OUCADQQQSA-N 2 1 299.415 -0.212 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031771793 799542319 /nfs/dbraw/zinc/54/23/19/799542319.db2.gz INHRRLWXXPXUQD-LBPRGKRZSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031977170 799568536 /nfs/dbraw/zinc/56/85/36/799568536.db2.gz XSYBWLUACGOJAI-WCQYABFASA-N 2 1 269.389 -0.386 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001032202306 799594044 /nfs/dbraw/zinc/59/40/44/799594044.db2.gz QMLLOILXXMKUAN-DGCLKSJQSA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001032202306 799594048 /nfs/dbraw/zinc/59/40/48/799594048.db2.gz QMLLOILXXMKUAN-DGCLKSJQSA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)CC[N@H+]1C ZINC001032410955 799625629 /nfs/dbraw/zinc/62/56/29/799625629.db2.gz BYXSJFUOBYHRDO-ZOBORPQBSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)CC[NH+]1C ZINC001032410955 799625632 /nfs/dbraw/zinc/62/56/32/799625632.db2.gz BYXSJFUOBYHRDO-ZOBORPQBSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)CC[NH+]1C ZINC001032410955 799625633 /nfs/dbraw/zinc/62/56/33/799625633.db2.gz BYXSJFUOBYHRDO-ZOBORPQBSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032627983 799650653 /nfs/dbraw/zinc/65/06/53/799650653.db2.gz OIMGMNORDVOUAT-IHRRRGAJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032627983 799650657 /nfs/dbraw/zinc/65/06/57/799650657.db2.gz OIMGMNORDVOUAT-IHRRRGAJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)C1 ZINC001032627983 799650659 /nfs/dbraw/zinc/65/06/59/799650659.db2.gz OIMGMNORDVOUAT-IHRRRGAJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)C1 ZINC001032627983 799650662 /nfs/dbraw/zinc/65/06/62/799650662.db2.gz OIMGMNORDVOUAT-IHRRRGAJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)CC1 ZINC001032705767 799658906 /nfs/dbraw/zinc/65/89/06/799658906.db2.gz JIAUXRUWWLVRRN-STQMWFEESA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)CC1 ZINC001032705767 799658912 /nfs/dbraw/zinc/65/89/12/799658912.db2.gz JIAUXRUWWLVRRN-STQMWFEESA-N 2 1 297.399 -0.625 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733933 799661023 /nfs/dbraw/zinc/66/10/23/799661023.db2.gz NMQJBFQZMYJPDW-AGIUHOORSA-N 2 1 279.384 -0.252 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033090888 799715735 /nfs/dbraw/zinc/71/57/35/799715735.db2.gz FRLYIOFPLZPXBP-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033090888 799715742 /nfs/dbraw/zinc/71/57/42/799715742.db2.gz FRLYIOFPLZPXBP-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033090888 799715745 /nfs/dbraw/zinc/71/57/45/799715745.db2.gz FRLYIOFPLZPXBP-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033090888 799715751 /nfs/dbraw/zinc/71/57/51/799715751.db2.gz FRLYIOFPLZPXBP-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033083123 799716209 /nfs/dbraw/zinc/71/62/09/799716209.db2.gz VUAOCKAVBKKHAM-ZIAGYGMSSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391193 799750419 /nfs/dbraw/zinc/75/04/19/799750419.db2.gz OIKFASSCVTUYEA-WCQYABFASA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391193 799750424 /nfs/dbraw/zinc/75/04/24/799750424.db2.gz OIKFASSCVTUYEA-WCQYABFASA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCO)C2)C1 ZINC001033416324 799752240 /nfs/dbraw/zinc/75/22/40/799752240.db2.gz OZEBGCQVXYOYFV-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001033416324 799752243 /nfs/dbraw/zinc/75/22/43/799752243.db2.gz OZEBGCQVXYOYFV-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001033416324 799752250 /nfs/dbraw/zinc/75/22/50/799752250.db2.gz OZEBGCQVXYOYFV-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033580422 799769752 /nfs/dbraw/zinc/76/97/52/799769752.db2.gz DQQCMGAGGHFRKB-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033580422 799769756 /nfs/dbraw/zinc/76/97/56/799769756.db2.gz DQQCMGAGGHFRKB-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033580422 799769762 /nfs/dbraw/zinc/76/97/62/799769762.db2.gz DQQCMGAGGHFRKB-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033580422 799769764 /nfs/dbraw/zinc/76/97/64/799769764.db2.gz DQQCMGAGGHFRKB-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657910 799776286 /nfs/dbraw/zinc/77/62/86/799776286.db2.gz OIGOLZCJRSFRQH-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664016 799777471 /nfs/dbraw/zinc/77/74/71/799777471.db2.gz BGXQFPSSJBKOAZ-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664016 799777474 /nfs/dbraw/zinc/77/74/74/799777474.db2.gz BGXQFPSSJBKOAZ-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664012 799778387 /nfs/dbraw/zinc/77/83/87/799778387.db2.gz BGXQFPSSJBKOAZ-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664012 799778394 /nfs/dbraw/zinc/77/83/94/799778394.db2.gz BGXQFPSSJBKOAZ-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034485894 799841408 /nfs/dbraw/zinc/84/14/08/799841408.db2.gz HEARUWQEHBZJOG-GFCCVEGCSA-N 2 1 294.399 -0.462 20 0 CBADMP NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034485894 799841415 /nfs/dbraw/zinc/84/14/15/799841415.db2.gz HEARUWQEHBZJOG-GFCCVEGCSA-N 2 1 294.399 -0.462 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034491582 799843520 /nfs/dbraw/zinc/84/35/20/799843520.db2.gz VSYDBAZLBRUSLN-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034491582 799843525 /nfs/dbraw/zinc/84/35/25/799843525.db2.gz VSYDBAZLBRUSLN-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)C1 ZINC001034491582 799843531 /nfs/dbraw/zinc/84/35/31/799843531.db2.gz VSYDBAZLBRUSLN-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)C1 ZINC001034491582 799843538 /nfs/dbraw/zinc/84/35/38/799843538.db2.gz VSYDBAZLBRUSLN-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034491586 799844631 /nfs/dbraw/zinc/84/46/31/799844631.db2.gz VSYDBAZLBRUSLN-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034491586 799844636 /nfs/dbraw/zinc/84/46/36/799844636.db2.gz VSYDBAZLBRUSLN-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)C1 ZINC001034491586 799844640 /nfs/dbraw/zinc/84/46/40/799844640.db2.gz VSYDBAZLBRUSLN-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)C1 ZINC001034491586 799844645 /nfs/dbraw/zinc/84/46/45/799844645.db2.gz VSYDBAZLBRUSLN-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034525405 799845169 /nfs/dbraw/zinc/84/51/69/799845169.db2.gz MDXFZGFSYRYVAC-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034525405 799845174 /nfs/dbraw/zinc/84/51/74/799845174.db2.gz MDXFZGFSYRYVAC-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)C1 ZINC001034525405 799845180 /nfs/dbraw/zinc/84/51/80/799845180.db2.gz MDXFZGFSYRYVAC-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)C1 ZINC001034525405 799845185 /nfs/dbraw/zinc/84/51/85/799845185.db2.gz MDXFZGFSYRYVAC-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034674028 799852053 /nfs/dbraw/zinc/85/20/53/799852053.db2.gz JRIJJWNPTVMTGF-JHJVBQTASA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035493113 799934012 /nfs/dbraw/zinc/93/40/12/799934012.db2.gz ZBTQPZQKKXGWHO-OCCSQVGLSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035493113 799934015 /nfs/dbraw/zinc/93/40/15/799934015.db2.gz ZBTQPZQKKXGWHO-OCCSQVGLSA-N 2 1 299.415 -0.474 20 0 CBADMP O=C(NC[C@H]1C[N@H+](CCCO)CCO1)C12CC[NH+](CC1)C2 ZINC001035579538 799947985 /nfs/dbraw/zinc/94/79/85/799947985.db2.gz KLPMUKXRGCAJNO-ZDUSSCGKSA-N 2 1 297.399 -0.718 20 0 CBADMP O=C(NC[C@H]1C[N@@H+](CCCO)CCO1)C12CC[NH+](CC1)C2 ZINC001035579538 799947991 /nfs/dbraw/zinc/94/79/91/799947991.db2.gz KLPMUKXRGCAJNO-ZDUSSCGKSA-N 2 1 297.399 -0.718 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001036294476 799986232 /nfs/dbraw/zinc/98/62/32/799986232.db2.gz RIRDHASESVTYMV-JQWIXIFHSA-N 2 1 293.371 -0.497 20 0 CBADMP NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036895789 800013021 /nfs/dbraw/zinc/01/30/21/800013021.db2.gz DPNXCBNHQWQXTM-QWHCGFSZSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCO ZINC001038120190 800056493 /nfs/dbraw/zinc/05/64/93/800056493.db2.gz ZKJHBPYPIVYYRU-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCO ZINC001038120190 800056485 /nfs/dbraw/zinc/05/64/85/800056485.db2.gz ZKJHBPYPIVYYRU-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001038120190 800056503 /nfs/dbraw/zinc/05/65/03/800056503.db2.gz ZKJHBPYPIVYYRU-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001038120190 800056512 /nfs/dbraw/zinc/05/65/12/800056512.db2.gz ZKJHBPYPIVYYRU-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP CN1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC2CC2)C1 ZINC001038138311 800060107 /nfs/dbraw/zinc/06/01/07/800060107.db2.gz VFEILFMVRAMKCS-STQMWFEESA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CC2CC2)C1 ZINC001038138311 800060116 /nfs/dbraw/zinc/06/01/16/800060116.db2.gz VFEILFMVRAMKCS-STQMWFEESA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CC2CC2)C1 ZINC001038138311 800060125 /nfs/dbraw/zinc/06/01/25/800060125.db2.gz VFEILFMVRAMKCS-STQMWFEESA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC2CC2)C1 ZINC001038138311 800060142 /nfs/dbraw/zinc/06/01/42/800060142.db2.gz VFEILFMVRAMKCS-STQMWFEESA-N 2 1 267.373 -0.083 20 0 CBADMP O=C(NC[C@H]1CC[N@H+]1CCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001038260996 800088607 /nfs/dbraw/zinc/08/86/07/800088607.db2.gz IPYPJKGSLRQZOH-CHWSQXEVSA-N 2 1 267.373 -0.489 20 0 CBADMP O=C(NC[C@H]1CC[N@@H+]1CCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001038260996 800088610 /nfs/dbraw/zinc/08/86/10/800088610.db2.gz IPYPJKGSLRQZOH-CHWSQXEVSA-N 2 1 267.373 -0.489 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038664402 801233352 /nfs/dbraw/zinc/23/33/52/801233352.db2.gz UWNAALADZIMBTB-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCCO)CC1 ZINC001038671460 801236444 /nfs/dbraw/zinc/23/64/44/801236444.db2.gz QCELHMOZOGGLRS-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2CCO)cn1 ZINC001038812116 801253286 /nfs/dbraw/zinc/25/32/86/801253286.db2.gz YPZPUCDOUYRXPX-CYBMUJFWSA-N 2 1 295.387 -0.759 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[N@H+]2CCO)cn1 ZINC001038812116 801253294 /nfs/dbraw/zinc/25/32/94/801253294.db2.gz YPZPUCDOUYRXPX-CYBMUJFWSA-N 2 1 295.387 -0.759 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038927688 801268759 /nfs/dbraw/zinc/26/87/59/801268759.db2.gz YZLJESFJMGGPST-VXGBXAGGSA-N 2 1 267.373 -0.347 20 0 CBADMP COCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028275 801281284 /nfs/dbraw/zinc/28/12/84/801281284.db2.gz NBESGDUBVCDAID-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP COCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039028275 801281286 /nfs/dbraw/zinc/28/12/86/801281286.db2.gz NBESGDUBVCDAID-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP COCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039028275 801281292 /nfs/dbraw/zinc/28/12/92/801281292.db2.gz NBESGDUBVCDAID-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028286 801282186 /nfs/dbraw/zinc/28/21/86/801282186.db2.gz NBESGDUBVCDAID-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP COCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039028286 801282193 /nfs/dbraw/zinc/28/21/93/801282193.db2.gz NBESGDUBVCDAID-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP COCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039028286 801282196 /nfs/dbraw/zinc/28/21/96/801282196.db2.gz NBESGDUBVCDAID-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1)[NH+](C)C ZINC001041402040 801395037 /nfs/dbraw/zinc/39/50/37/801395037.db2.gz FNBPWKGCHPOEPS-IUODEOHRSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCO)C3)C2)C1 ZINC001041830385 801421691 /nfs/dbraw/zinc/42/16/91/801421691.db2.gz GWWBJALIKLKBKN-HIFRSBDPSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@]3(CC[N@H+](CCO)C3)C2)C1 ZINC001041830385 801421693 /nfs/dbraw/zinc/42/16/93/801421693.db2.gz GWWBJALIKLKBKN-HIFRSBDPSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CCO)C3)C2)C1 ZINC001041830385 801421697 /nfs/dbraw/zinc/42/16/97/801421697.db2.gz GWWBJALIKLKBKN-HIFRSBDPSA-N 2 1 281.400 -0.145 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C2C[NH+](CCCO)C2)CC[N@@H+]1C ZINC001042745998 801516180 /nfs/dbraw/zinc/51/61/80/801516180.db2.gz LEOKERPOYMHQGU-DGCLKSJQSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C2C[NH+](CCCO)C2)CC[N@H+]1C ZINC001042745998 801516183 /nfs/dbraw/zinc/51/61/83/801516183.db2.gz LEOKERPOYMHQGU-DGCLKSJQSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044188582 801627937 /nfs/dbraw/zinc/62/79/37/801627937.db2.gz LROQXQHPMROWLA-VXGBXAGGSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044188582 801627940 /nfs/dbraw/zinc/62/79/40/801627940.db2.gz LROQXQHPMROWLA-VXGBXAGGSA-N 2 1 269.389 -0.148 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001044865838 801673615 /nfs/dbraw/zinc/67/36/15/801673615.db2.gz REOGUYPWWRYNAJ-PWSUYJOCSA-N 2 1 293.371 -0.354 20 0 CBADMP C[NH+]1CCC(C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)CC1 ZINC001045545091 801703271 /nfs/dbraw/zinc/70/32/71/801703271.db2.gz UUANNGMFNZMRAU-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001045639955 801708624 /nfs/dbraw/zinc/70/86/24/801708624.db2.gz WEZBFDJZKVOXKZ-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001045639955 801708627 /nfs/dbraw/zinc/70/86/27/801708627.db2.gz WEZBFDJZKVOXKZ-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001045890873 801715280 /nfs/dbraw/zinc/71/52/80/801715280.db2.gz ULOXINQSZXDOEL-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001045890873 801715281 /nfs/dbraw/zinc/71/52/81/801715281.db2.gz ULOXINQSZXDOEL-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001045890873 801715286 /nfs/dbraw/zinc/71/52/86/801715286.db2.gz ULOXINQSZXDOEL-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@]1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+](CC(N)=O)C1 ZINC001046323073 801753608 /nfs/dbraw/zinc/75/36/08/801753608.db2.gz GFHRLSNTANEWFK-SWLSCSKDSA-N 2 1 294.399 -0.606 20 0 CBADMP C[C@@]1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+](CC(N)=O)C1 ZINC001046323073 801753611 /nfs/dbraw/zinc/75/36/11/801753611.db2.gz GFHRLSNTANEWFK-SWLSCSKDSA-N 2 1 294.399 -0.606 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCO)C2)O1 ZINC001046414154 801760113 /nfs/dbraw/zinc/76/01/13/801760113.db2.gz GBFUUEJFLFTWCZ-NFAWXSAZSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCO)C2)O1 ZINC001046414154 801760117 /nfs/dbraw/zinc/76/01/17/801760117.db2.gz GBFUUEJFLFTWCZ-NFAWXSAZSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCCO)C2)O1 ZINC001046414154 801760122 /nfs/dbraw/zinc/76/01/22/801760122.db2.gz GBFUUEJFLFTWCZ-NFAWXSAZSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCO)C2)O1 ZINC001046414154 801760126 /nfs/dbraw/zinc/76/01/26/801760126.db2.gz GBFUUEJFLFTWCZ-NFAWXSAZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)C1 ZINC001046569015 801776421 /nfs/dbraw/zinc/77/64/21/801776421.db2.gz XALILFBICUSAGH-UKRRQHHQSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)C1 ZINC001046569015 801776427 /nfs/dbraw/zinc/77/64/27/801776427.db2.gz XALILFBICUSAGH-UKRRQHHQSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCO)C2)C1 ZINC001046569015 801776431 /nfs/dbraw/zinc/77/64/31/801776431.db2.gz XALILFBICUSAGH-UKRRQHHQSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)C1 ZINC001046569015 801776436 /nfs/dbraw/zinc/77/64/36/801776436.db2.gz XALILFBICUSAGH-UKRRQHHQSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)C1 ZINC001046838127 801795594 /nfs/dbraw/zinc/79/55/94/801795594.db2.gz FITKYEZFIWRJBD-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCO)C2)C1 ZINC001046838127 801795596 /nfs/dbraw/zinc/79/55/96/801795596.db2.gz FITKYEZFIWRJBD-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)C1 ZINC001046838127 801795599 /nfs/dbraw/zinc/79/55/99/801795599.db2.gz FITKYEZFIWRJBD-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047499199 801887835 /nfs/dbraw/zinc/88/78/35/801887835.db2.gz BGTBPLRPXSOQSG-MELADBBJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047499199 801887842 /nfs/dbraw/zinc/88/78/42/801887842.db2.gz BGTBPLRPXSOQSG-MELADBBJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001047499199 801887849 /nfs/dbraw/zinc/88/78/49/801887849.db2.gz BGTBPLRPXSOQSG-MELADBBJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001047499199 801887854 /nfs/dbraw/zinc/88/78/54/801887854.db2.gz BGTBPLRPXSOQSG-MELADBBJSA-N 2 1 299.415 -0.381 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047529312 801895121 /nfs/dbraw/zinc/89/51/21/801895121.db2.gz YDFOVVJAZJVBHR-IHRRRGAJSA-N 2 1 299.415 -0.643 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047545333 801898954 /nfs/dbraw/zinc/89/89/54/801898954.db2.gz QOUUMPUBLQNVSJ-DRZSPHRISA-N 2 1 296.371 -0.509 20 0 CBADMP CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598277 801909385 /nfs/dbraw/zinc/90/93/85/801909385.db2.gz DHTIVDQFLUBURP-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627614 801913304 /nfs/dbraw/zinc/91/33/04/801913304.db2.gz RXPOTAJUZHNXHI-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047628850 801915264 /nfs/dbraw/zinc/91/52/64/801915264.db2.gz QFOUMRXZYHHMKX-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)[NH+](C)C ZINC001048889963 801978564 /nfs/dbraw/zinc/97/85/64/801978564.db2.gz CPZZZERYNGFUOU-GRYCIOLGSA-N 2 1 282.388 -0.798 20 0 CBADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)[NH+](C)C ZINC001049067312 801994757 /nfs/dbraw/zinc/99/47/57/801994757.db2.gz VMIGUOFMNFOMMA-XQQFMLRXSA-N 2 1 269.389 -0.291 20 0 CBADMP O=C(N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001049175018 802002307 /nfs/dbraw/zinc/00/23/07/802002307.db2.gz HZACFKDUEFAEMC-BETUJISGSA-N 2 1 279.384 -0.535 20 0 CBADMP O=C(N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)[C@@]12CC[NH+](C1)CCC2 ZINC001049194005 802005616 /nfs/dbraw/zinc/00/56/16/802005616.db2.gz HYEKDJIZZBQOCV-LZWOXQAQSA-N 2 1 293.411 -0.145 20 0 CBADMP O=C(N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001049194005 802005625 /nfs/dbraw/zinc/00/56/25/802005625.db2.gz HYEKDJIZZBQOCV-LZWOXQAQSA-N 2 1 293.411 -0.145 20 0 CBADMP O=C(N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001049194005 802005632 /nfs/dbraw/zinc/00/56/32/802005632.db2.gz HYEKDJIZZBQOCV-LZWOXQAQSA-N 2 1 293.411 -0.145 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001049214948 802008677 /nfs/dbraw/zinc/00/86/77/802008677.db2.gz CYPFQAAYPWRUIW-RWMBFGLXSA-N 2 1 267.373 -0.679 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)C1 ZINC001049214948 802008682 /nfs/dbraw/zinc/00/86/82/802008682.db2.gz CYPFQAAYPWRUIW-RWMBFGLXSA-N 2 1 267.373 -0.679 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1 ZINC001049214948 802008688 /nfs/dbraw/zinc/00/86/88/802008688.db2.gz CYPFQAAYPWRUIW-RWMBFGLXSA-N 2 1 267.373 -0.679 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCO)C1 ZINC001049894680 802042573 /nfs/dbraw/zinc/04/25/73/802042573.db2.gz GTHUSVWLGFQWDV-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCO)C1 ZINC001049894680 802042578 /nfs/dbraw/zinc/04/25/78/802042578.db2.gz GTHUSVWLGFQWDV-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCO)C1 ZINC001049894680 802042582 /nfs/dbraw/zinc/04/25/82/802042582.db2.gz GTHUSVWLGFQWDV-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050456296 802064851 /nfs/dbraw/zinc/06/48/51/802064851.db2.gz GHCIGHAJUZOFPQ-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001051514771 802150735 /nfs/dbraw/zinc/15/07/35/802150735.db2.gz MSSRHDYWIVXHIN-NWDGAFQWSA-N 2 1 271.361 -0.846 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001051514771 802150741 /nfs/dbraw/zinc/15/07/41/802150741.db2.gz MSSRHDYWIVXHIN-NWDGAFQWSA-N 2 1 271.361 -0.846 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052248874 802189566 /nfs/dbraw/zinc/18/95/66/802189566.db2.gz BBJABZOKKCNAIV-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001052248874 802189569 /nfs/dbraw/zinc/18/95/69/802189569.db2.gz BBJABZOKKCNAIV-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001052248874 802189571 /nfs/dbraw/zinc/18/95/71/802189571.db2.gz BBJABZOKKCNAIV-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001052931960 802224658 /nfs/dbraw/zinc/22/46/58/802224658.db2.gz DZQGKPCTOKHMCC-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001052931960 802224663 /nfs/dbraw/zinc/22/46/63/802224663.db2.gz DZQGKPCTOKHMCC-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052931960 802224668 /nfs/dbraw/zinc/22/46/68/802224668.db2.gz DZQGKPCTOKHMCC-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001054296794 802330258 /nfs/dbraw/zinc/33/02/58/802330258.db2.gz MPFQBBZGMMSYSE-QJPTWQEYSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001054296793 802330829 /nfs/dbraw/zinc/33/08/29/802330829.db2.gz MPFQBBZGMMSYSE-IJLUTSLNSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1[NH2+]CC(N)=O ZINC001054736542 802366638 /nfs/dbraw/zinc/36/66/38/802366638.db2.gz KJMURTVEGBWHCL-PWSUYJOCSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+]CCO ZINC001054829765 802371859 /nfs/dbraw/zinc/37/18/59/802371859.db2.gz IZFBAXMQCBZKLT-ZWNOBZJWSA-N 2 1 296.371 -0.221 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001054905212 802379056 /nfs/dbraw/zinc/37/90/56/802379056.db2.gz BPZMDGJFZRAFMB-ONGXEEELSA-N 2 1 279.344 -0.887 20 0 CBADMP CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055577934 802397939 /nfs/dbraw/zinc/39/79/39/802397939.db2.gz FYDFBSUZILAIPU-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210183 814934963 /nfs/dbraw/zinc/93/49/63/814934963.db2.gz ISISRBGZPCMJPG-CYBMUJFWSA-N 2 1 299.415 -0.520 20 0 CBADMP COCCN(C(=O)[C@@H]1COCC[NH2+]1)C1CC[NH+](C)CC1 ZINC001160438622 815622799 /nfs/dbraw/zinc/62/27/99/815622799.db2.gz ACSFXKRBPGKUAQ-ZDUSSCGKSA-N 2 1 285.388 -0.456 20 0 CBADMP C[NH2+]CCN(C)C(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001121930861 813091880 /nfs/dbraw/zinc/09/18/80/813091880.db2.gz VUULIRUYUUAVDJ-VIFPVBQESA-N 2 1 251.334 -0.334 20 0 CBADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3occc32)CCO1 ZINC001122014789 813105152 /nfs/dbraw/zinc/10/51/52/813105152.db2.gz HLEIADPRADUPOB-BXKDBHETSA-N 2 1 265.313 -0.348 20 0 CBADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC(F)(F)C[NH3+] ZINC001122015791 813105545 /nfs/dbraw/zinc/10/55/45/813105545.db2.gz SWBQLVSELZJQDF-RKDXNWHRSA-N 2 1 262.304 -0.915 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC(F)(F)C[NH3+] ZINC001122015791 813105548 /nfs/dbraw/zinc/10/55/48/813105548.db2.gz SWBQLVSELZJQDF-RKDXNWHRSA-N 2 1 262.304 -0.915 20 0 CBADMP C[C@H](C(=O)N[C@@H]1C[NH2+]CC12CC2)N1CC[NH+](C)CC1 ZINC001122499783 813171841 /nfs/dbraw/zinc/17/18/41/813171841.db2.gz ZXTDNYDZDIDBDQ-VXGBXAGGSA-N 2 1 266.389 -0.510 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001129350451 813837893 /nfs/dbraw/zinc/83/78/93/813837893.db2.gz BAGQKALTIXMGGZ-UHFFFAOYSA-N 2 1 294.403 -0.012 20 0 CBADMP C[NH+](C)CCC(=O)NCC[NH2+]Cc1noc2c1COCC2 ZINC001133291102 814237098 /nfs/dbraw/zinc/23/70/98/814237098.db2.gz JNCVRWQRNOMHJS-UHFFFAOYSA-N 2 1 296.371 -0.095 20 0 CBADMP CCCn1nnnc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133290933 814238406 /nfs/dbraw/zinc/23/84/06/814238406.db2.gz FEQVPNPKZQCFKS-UHFFFAOYSA-N 2 1 283.380 -0.759 20 0 CBADMP Cn1c(C[NH2+]CCNC(=O)CC[NH+](C)C)nnc1C1CC1 ZINC001133294647 814238512 /nfs/dbraw/zinc/23/85/12/814238512.db2.gz OKMXSPZLPZKZHC-UHFFFAOYSA-N 2 1 294.403 -0.150 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133842416 814303884 /nfs/dbraw/zinc/30/38/84/814303884.db2.gz PEGIMOVJHAHJLG-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133842416 814303893 /nfs/dbraw/zinc/30/38/93/814303893.db2.gz PEGIMOVJHAHJLG-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2ccn(C)n2)C1 ZINC001133842562 814304762 /nfs/dbraw/zinc/30/47/62/814304762.db2.gz WBFOAFUWFBEBOM-GFCCVEGCSA-N 2 1 279.388 -0.032 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccn(C)n2)C1 ZINC001133842562 814304768 /nfs/dbraw/zinc/30/47/68/814304768.db2.gz WBFOAFUWFBEBOM-GFCCVEGCSA-N 2 1 279.388 -0.032 20 0 CBADMP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001148570661 814950933 /nfs/dbraw/zinc/95/09/33/814950933.db2.gz JVHLZUBNQMZLIV-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001148570661 814950938 /nfs/dbraw/zinc/95/09/38/814950938.db2.gz JVHLZUBNQMZLIV-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CCn1cncn1 ZINC001148577785 814951035 /nfs/dbraw/zinc/95/10/35/814951035.db2.gz CVORDCFKLDKQPV-UHFFFAOYSA-N 2 1 282.392 -0.284 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CCOCCO ZINC001148573222 814951106 /nfs/dbraw/zinc/95/11/06/814951106.db2.gz ROLHLXFOEQIZEE-UHFFFAOYSA-N 2 1 275.393 -0.567 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC ZINC001148570790 814951276 /nfs/dbraw/zinc/95/12/76/814951276.db2.gz MCHQGHHQZJJLRA-UHFFFAOYSA-N 2 1 258.366 -0.830 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001148577852 814950469 /nfs/dbraw/zinc/95/04/69/814950469.db2.gz GQYKNCOUIKEANM-NSHDSACASA-N 2 1 272.393 -0.441 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001148577851 814950835 /nfs/dbraw/zinc/95/08/35/814950835.db2.gz GQYKNCOUIKEANM-LLVKDONJSA-N 2 1 272.393 -0.441 20 0 CBADMP C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148611956 814953320 /nfs/dbraw/zinc/95/33/20/814953320.db2.gz TXKIGKFYRNLMFK-UHFFFAOYSA-N 2 1 285.388 -0.909 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cn(CC)nn1 ZINC001148642898 814953605 /nfs/dbraw/zinc/95/36/05/814953605.db2.gz PSIBIMOLCFQZDC-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cn(CC)nn1 ZINC001148642898 814953612 /nfs/dbraw/zinc/95/36/12/814953612.db2.gz PSIBIMOLCFQZDC-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]C[C@H](O)COC ZINC001148638099 814954634 /nfs/dbraw/zinc/95/46/34/814954634.db2.gz CCSHQPKOHXHAJY-NSHDSACASA-N 2 1 261.366 -0.959 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001148642929 814954933 /nfs/dbraw/zinc/95/49/33/814954933.db2.gz QSTPJZXKCHYAJW-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@H](C)C(N)=O)C2 ZINC001148652216 814955850 /nfs/dbraw/zinc/95/58/50/814955850.db2.gz ZWNZHAXXPAGIKQ-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(N)=O)C2 ZINC001148652216 814955853 /nfs/dbraw/zinc/95/58/53/814955853.db2.gz ZWNZHAXXPAGIKQ-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(N)=O)C2 ZINC001148652216 814955855 /nfs/dbraw/zinc/95/58/55/814955855.db2.gz ZWNZHAXXPAGIKQ-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CCCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001321740314 803808670 /nfs/dbraw/zinc/80/86/70/803808670.db2.gz VZYOVSYPXAZQTQ-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](C[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001321740658 803808949 /nfs/dbraw/zinc/80/89/49/803808949.db2.gz ZRYBTEUUGLIJJS-VXGBXAGGSA-N 2 1 297.403 -0.942 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)N1CC[NH+](C)CC1 ZINC001321769143 803811470 /nfs/dbraw/zinc/81/14/70/803811470.db2.gz RBURLISVMFCALU-OLZOCXBDSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)N1CC[NH+](C)CC1 ZINC001321769143 803811479 /nfs/dbraw/zinc/81/14/79/803811479.db2.gz RBURLISVMFCALU-OLZOCXBDSA-N 2 1 268.405 -0.310 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]CCCO)C1 ZINC001322083214 803857831 /nfs/dbraw/zinc/85/78/31/803857831.db2.gz QEKIZZTWNUIIJC-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]CCCO)C1 ZINC001322083214 803857827 /nfs/dbraw/zinc/85/78/27/803857827.db2.gz QEKIZZTWNUIIJC-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@@H](C[N@@H+](C)CCOCCO)NC(=O)[C@H]1CCC[NH+]1C ZINC001322131285 803865709 /nfs/dbraw/zinc/86/57/09/803865709.db2.gz XGFMCNMAOKUQCM-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](C[NH+](C)CCOCCO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001322131285 803865718 /nfs/dbraw/zinc/86/57/18/803865718.db2.gz XGFMCNMAOKUQCM-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](C[NH+](C)CCOCCO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001322131285 803865728 /nfs/dbraw/zinc/86/57/28/803865728.db2.gz XGFMCNMAOKUQCM-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001322757805 803934334 /nfs/dbraw/zinc/93/43/34/803934334.db2.gz PDDJUOWYFRAOKE-KPWCQOOUSA-N 3 1 250.390 -0.711 20 0 CBADMP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001322757805 803934341 /nfs/dbraw/zinc/93/43/41/803934341.db2.gz PDDJUOWYFRAOKE-KPWCQOOUSA-N 2 1 250.390 -0.711 20 0 CBADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001322757808 803934763 /nfs/dbraw/zinc/93/47/63/803934763.db2.gz PDDJUOWYFRAOKE-SYQHCUMBSA-N 3 1 250.390 -0.711 20 0 CBADMP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001322757808 803934770 /nfs/dbraw/zinc/93/47/70/803934770.db2.gz PDDJUOWYFRAOKE-SYQHCUMBSA-N 3 1 250.390 -0.711 20 0 CBADMP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001322757808 803934776 /nfs/dbraw/zinc/93/47/76/803934776.db2.gz PDDJUOWYFRAOKE-SYQHCUMBSA-N 2 1 250.390 -0.711 20 0 CBADMP Cc1nc[nH]c1CC(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001323341170 804011348 /nfs/dbraw/zinc/01/13/48/804011348.db2.gz SWYIJHZBXJHRQV-LLVKDONJSA-N 2 1 266.345 -0.166 20 0 CBADMP Cc1nc[nH]c1CC(=O)NC[C@H]1CCN1CCCO ZINC001323341170 804011358 /nfs/dbraw/zinc/01/13/58/804011358.db2.gz SWYIJHZBXJHRQV-LLVKDONJSA-N 2 1 266.345 -0.166 20 0 CBADMP Cn1cncc1CCC(=O)NC[C@H]1CC[N@H+]1CCO ZINC001323341142 804011423 /nfs/dbraw/zinc/01/14/23/804011423.db2.gz SGPGCZLHJQWFTE-GFCCVEGCSA-N 2 1 266.345 -0.465 20 0 CBADMP Cn1cncc1CCC(=O)NC[C@H]1CCN1CCO ZINC001323341142 804011430 /nfs/dbraw/zinc/01/14/30/804011430.db2.gz SGPGCZLHJQWFTE-GFCCVEGCSA-N 2 1 266.345 -0.465 20 0 CBADMP CC(C)OCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001323411139 804023484 /nfs/dbraw/zinc/02/34/84/804023484.db2.gz HROSYZRASIJJTE-ZDUSSCGKSA-N 2 1 299.415 -0.020 20 0 CBADMP CC(C)OCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001323411139 804023493 /nfs/dbraw/zinc/02/34/93/804023493.db2.gz HROSYZRASIJJTE-ZDUSSCGKSA-N 2 1 299.415 -0.020 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CC[NH+](CCCCO)CC1)C1CC1 ZINC001324145886 804113737 /nfs/dbraw/zinc/11/37/37/804113737.db2.gz QDQGJSIHIOCKKI-OAHLLOKOSA-N 2 1 285.432 -0.168 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCO)CC[N@H+]1C ZINC001324160555 804115209 /nfs/dbraw/zinc/11/52/09/804115209.db2.gz AMTSMHYQHUMOCD-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC2(C1)OCCO2 ZINC001160470589 815624931 /nfs/dbraw/zinc/62/49/31/815624931.db2.gz CBQXDADPWLFGCP-UHFFFAOYSA-N 2 1 269.345 -0.697 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)CC[N@H+]1C ZINC001325371484 804281243 /nfs/dbraw/zinc/28/12/43/804281243.db2.gz XRKCUPBEBGJZRV-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001325734591 804310222 /nfs/dbraw/zinc/31/02/22/804310222.db2.gz ORWPHLUSGCLDMC-JHJVBQTASA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001325733387 804310761 /nfs/dbraw/zinc/31/07/61/804310761.db2.gz FXMPOCGMKRGCQN-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](CC)CC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150469855 815032736 /nfs/dbraw/zinc/03/27/36/815032736.db2.gz JPZZEQLPLUJJCQ-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[N@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589843 815036454 /nfs/dbraw/zinc/03/64/54/815036454.db2.gz WXUUUYNEEOKIDX-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH+](CCO)CCCO2)C1 ZINC001150598355 815036574 /nfs/dbraw/zinc/03/65/74/815036574.db2.gz ZTHDVMBIZMLJOB-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2C[N@H+](CCO)CCCO2)C1 ZINC001150598355 815036580 /nfs/dbraw/zinc/03/65/80/815036580.db2.gz ZTHDVMBIZMLJOB-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001150598355 815036587 /nfs/dbraw/zinc/03/65/87/815036587.db2.gz ZTHDVMBIZMLJOB-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001151048670 815052551 /nfs/dbraw/zinc/05/25/51/815052551.db2.gz CXBYADWRLLLXSQ-LBPRGKRZSA-N 2 1 282.388 -0.830 20 0 CBADMP CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049033 815053423 /nfs/dbraw/zinc/05/34/23/815053423.db2.gz HVGQUMNFQQEQDF-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097127 805170798 /nfs/dbraw/zinc/17/07/98/805170798.db2.gz CZKZALQBXNECGO-UPJWGTAASA-N 2 1 292.387 -0.409 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097127 805170803 /nfs/dbraw/zinc/17/08/03/805170803.db2.gz CZKZALQBXNECGO-UPJWGTAASA-N 2 1 292.387 -0.409 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097127 805170811 /nfs/dbraw/zinc/17/08/11/805170811.db2.gz CZKZALQBXNECGO-UPJWGTAASA-N 2 1 292.387 -0.409 20 0 CBADMP Cn1cc(CC[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001151056970 815054116 /nfs/dbraw/zinc/05/41/16/815054116.db2.gz OMSLZNPWLSQBLF-CYBMUJFWSA-N 2 1 279.388 -0.380 20 0 CBADMP CN(C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001151049688 815054282 /nfs/dbraw/zinc/05/42/82/815054282.db2.gz WBYDZZNODGABAN-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158362 805174077 /nfs/dbraw/zinc/17/40/77/805174077.db2.gz HDOFIDWBNWIVBC-AGIUHOORSA-N 2 1 292.387 -0.266 20 0 CBADMP CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070326876 805179194 /nfs/dbraw/zinc/17/91/94/805179194.db2.gz GZLHPCFPITUTLH-XQQFMLRXSA-N 2 1 292.387 -0.409 20 0 CBADMP Cc1noc(CCC[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151049583 815055024 /nfs/dbraw/zinc/05/50/24/815055024.db2.gz SQRKUFWQXSKXEP-GFCCVEGCSA-N 2 1 295.387 -0.032 20 0 CBADMP C[C@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065136 815055448 /nfs/dbraw/zinc/05/54/48/815055448.db2.gz GZPHMXMTESZCLN-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049391 815055575 /nfs/dbraw/zinc/05/55/75/815055575.db2.gz NAHKKPCDXMBXOC-GFCCVEGCSA-N 2 1 284.404 -0.440 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)C1 ZINC001151049675 815055721 /nfs/dbraw/zinc/05/57/21/815055721.db2.gz VYGOVVRQPLAURI-JTQLQIEISA-N 2 1 293.375 -0.835 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)C1 ZINC001151049675 815055725 /nfs/dbraw/zinc/05/57/25/815055725.db2.gz VYGOVVRQPLAURI-JTQLQIEISA-N 2 1 293.375 -0.835 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073055 815056524 /nfs/dbraw/zinc/05/65/24/815056524.db2.gz FLOXZFMYCDHRLO-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCOC[C@@H]2CCCO2)C1 ZINC001151066735 815056717 /nfs/dbraw/zinc/05/67/17/815056717.db2.gz YIASEECULRFDDV-KBPBESRZSA-N 2 1 299.415 -0.161 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001151121891 815063133 /nfs/dbraw/zinc/06/31/33/815063133.db2.gz MIDAJIZAPSDOAO-UHFFFAOYSA-N 2 1 293.371 -0.480 20 0 CBADMP CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151074061 815058377 /nfs/dbraw/zinc/05/83/77/815058377.db2.gz UPBDTOKNANHQHB-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP CCCn1ncnc1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151098057 815061170 /nfs/dbraw/zinc/06/11/70/815061170.db2.gz SUARWZMNOMMPHG-UHFFFAOYSA-N 2 1 294.403 -0.010 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001151147601 815063091 /nfs/dbraw/zinc/06/30/91/815063091.db2.gz RYKSQIJJHSRVEV-JTQLQIEISA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072544339 805312716 /nfs/dbraw/zinc/31/27/16/805312716.db2.gz JPBIDVSSUHEPHR-NEPJUHHUSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001072544339 805312726 /nfs/dbraw/zinc/31/27/26/805312726.db2.gz JPBIDVSSUHEPHR-NEPJUHHUSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001072544339 805312735 /nfs/dbraw/zinc/31/27/35/805312735.db2.gz JPBIDVSSUHEPHR-NEPJUHHUSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578577 805314289 /nfs/dbraw/zinc/31/42/89/805314289.db2.gz MTOIUTNFTYBDHL-STQMWFEESA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578577 805314298 /nfs/dbraw/zinc/31/42/98/805314298.db2.gz MTOIUTNFTYBDHL-STQMWFEESA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072578577 805314308 /nfs/dbraw/zinc/31/43/08/805314308.db2.gz MTOIUTNFTYBDHL-STQMWFEESA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072578577 805314314 /nfs/dbraw/zinc/31/43/14/805314314.db2.gz MTOIUTNFTYBDHL-STQMWFEESA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072981340 805353004 /nfs/dbraw/zinc/35/30/04/805353004.db2.gz DVSYSQNTSCKQNL-LBPRGKRZSA-N 2 1 294.399 -0.510 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072981340 805353014 /nfs/dbraw/zinc/35/30/14/805353014.db2.gz DVSYSQNTSCKQNL-LBPRGKRZSA-N 2 1 294.399 -0.510 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001072981340 805353022 /nfs/dbraw/zinc/35/30/22/805353022.db2.gz DVSYSQNTSCKQNL-LBPRGKRZSA-N 2 1 294.399 -0.510 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001072981340 805353032 /nfs/dbraw/zinc/35/30/32/805353032.db2.gz DVSYSQNTSCKQNL-LBPRGKRZSA-N 2 1 294.399 -0.510 20 0 CBADMP C[C@H](O)C[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073129742 805360972 /nfs/dbraw/zinc/36/09/72/805360972.db2.gz CXSWOLVQJUVZKP-ZDUSSCGKSA-N 2 1 293.411 -0.003 20 0 CBADMP O=C(N1CC2(C1)CC[N@H+](CCCO)C2)C12CC[NH+](CC1)C2 ZINC001073129323 805361091 /nfs/dbraw/zinc/36/10/91/805361091.db2.gz SGJKSZQCJQKCJA-UHFFFAOYSA-N 2 1 293.411 -0.001 20 0 CBADMP O=C(N1CC2(C1)CC[N@H+](CCO)C2)C12CC[NH+](CC1)C2 ZINC001073129043 805362162 /nfs/dbraw/zinc/36/21/62/805362162.db2.gz DXXCMMVMAYXPAN-UHFFFAOYSA-N 2 1 279.384 -0.391 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073129741 805362900 /nfs/dbraw/zinc/36/29/00/805362900.db2.gz CXSWOLVQJUVZKP-CYBMUJFWSA-N 2 1 293.411 -0.003 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001073127840 805362970 /nfs/dbraw/zinc/36/29/70/805362970.db2.gz IPSUEMANVVGYOS-CYBMUJFWSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC3(C2)CC[N@H+](CCO)C3)C1 ZINC001073127840 805362977 /nfs/dbraw/zinc/36/29/77/805362977.db2.gz IPSUEMANVVGYOS-CYBMUJFWSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1 ZINC001073127840 805362985 /nfs/dbraw/zinc/36/29/85/805362985.db2.gz IPSUEMANVVGYOS-CYBMUJFWSA-N 2 1 281.400 -0.145 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001073425648 805368568 /nfs/dbraw/zinc/36/85/68/805368568.db2.gz CUKQVRIQOYODJD-GFCCVEGCSA-N 2 1 267.373 -0.535 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCO)C3)C1 ZINC001073425648 805368580 /nfs/dbraw/zinc/36/85/80/805368580.db2.gz CUKQVRIQOYODJD-GFCCVEGCSA-N 2 1 267.373 -0.535 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1 ZINC001073425648 805368590 /nfs/dbraw/zinc/36/85/90/805368590.db2.gz CUKQVRIQOYODJD-GFCCVEGCSA-N 2 1 267.373 -0.535 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073431495 805368917 /nfs/dbraw/zinc/36/89/17/805368917.db2.gz ZHVLRQRUGICBMO-UHFFFAOYSA-N 2 1 278.356 -0.282 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073431495 805368926 /nfs/dbraw/zinc/36/89/26/805368926.db2.gz ZHVLRQRUGICBMO-UHFFFAOYSA-N 2 1 278.356 -0.282 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073431062 805370013 /nfs/dbraw/zinc/37/00/13/805370013.db2.gz QIIKHGFZVYUCCE-GFCCVEGCSA-N 2 1 294.399 -0.510 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073426153 805370640 /nfs/dbraw/zinc/37/06/40/805370640.db2.gz RYPIFXNTSVSDRA-OLZOCXBDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001073426153 805370648 /nfs/dbraw/zinc/37/06/48/805370648.db2.gz RYPIFXNTSVSDRA-OLZOCXBDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426153 805370658 /nfs/dbraw/zinc/37/06/58/805370658.db2.gz RYPIFXNTSVSDRA-OLZOCXBDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCO)CCCO1 ZINC001073554179 805386926 /nfs/dbraw/zinc/38/69/26/805386926.db2.gz DNQRSMHQTWZIAZ-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001073554179 805386935 /nfs/dbraw/zinc/38/69/35/805386935.db2.gz DNQRSMHQTWZIAZ-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001073554179 805386943 /nfs/dbraw/zinc/38/69/43/805386943.db2.gz DNQRSMHQTWZIAZ-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCO)CCCO1 ZINC001073554843 805389471 /nfs/dbraw/zinc/38/94/71/805389471.db2.gz OXVJNXBBFJYNQB-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001073554843 805389481 /nfs/dbraw/zinc/38/94/81/805389481.db2.gz OXVJNXBBFJYNQB-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001073554843 805389490 /nfs/dbraw/zinc/38/94/90/805389490.db2.gz OXVJNXBBFJYNQB-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP COCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073554393 805389773 /nfs/dbraw/zinc/38/97/73/805389773.db2.gz GZYQJKFWNVQMSQ-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001073554393 805389779 /nfs/dbraw/zinc/38/97/79/805389779.db2.gz GZYQJKFWNVQMSQ-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001073554393 805389787 /nfs/dbraw/zinc/38/97/87/805389787.db2.gz GZYQJKFWNVQMSQ-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCO)CCCO1 ZINC001073661661 805404390 /nfs/dbraw/zinc/40/43/90/805404390.db2.gz BLSNOCINWVQCAG-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001073661661 805404394 /nfs/dbraw/zinc/40/43/94/805404394.db2.gz BLSNOCINWVQCAG-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001073661661 805404399 /nfs/dbraw/zinc/40/43/99/805404399.db2.gz BLSNOCINWVQCAG-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073890997 805422020 /nfs/dbraw/zinc/42/20/20/805422020.db2.gz KONUZPITDFCUSK-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073890997 805422026 /nfs/dbraw/zinc/42/20/26/805422026.db2.gz KONUZPITDFCUSK-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073890997 805422027 /nfs/dbraw/zinc/42/20/27/805422027.db2.gz KONUZPITDFCUSK-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C)C(N)=O ZINC001074687093 805465824 /nfs/dbraw/zinc/46/58/24/805465824.db2.gz VYSIFSPHSOAMMN-GVXVVHGQSA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001074695289 805465879 /nfs/dbraw/zinc/46/58/79/805465879.db2.gz RXOXBXSLZJFMTJ-XQQFMLRXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCCO)C[C@H]21 ZINC001075619662 805518510 /nfs/dbraw/zinc/51/85/10/805518510.db2.gz KYNZMECJKKAYHU-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001075619662 805518512 /nfs/dbraw/zinc/51/85/12/805518512.db2.gz KYNZMECJKKAYHU-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001075619662 805518518 /nfs/dbraw/zinc/51/85/18/805518518.db2.gz KYNZMECJKKAYHU-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](C)OC)C1 ZINC001151740818 815088988 /nfs/dbraw/zinc/08/89/88/815088988.db2.gz YCOLACCXMQESFE-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](C)OC)C1 ZINC001151740818 815088995 /nfs/dbraw/zinc/08/89/95/815088995.db2.gz YCOLACCXMQESFE-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@H]2CCOC2)C1 ZINC001151739008 815090069 /nfs/dbraw/zinc/09/00/69/815090069.db2.gz JXSDFNPECLIPOA-UONOGXRCSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@H]2CCOC2)C1 ZINC001151739008 815090076 /nfs/dbraw/zinc/09/00/76/815090076.db2.gz JXSDFNPECLIPOA-UONOGXRCSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001151738435 815090350 /nfs/dbraw/zinc/09/03/50/815090350.db2.gz IDUMBTYYQIOBLE-QWHCGFSZSA-N 2 1 285.388 -0.551 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001151738435 815090357 /nfs/dbraw/zinc/09/03/57/815090357.db2.gz IDUMBTYYQIOBLE-QWHCGFSZSA-N 2 1 285.388 -0.551 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOCC2CC2)C1 ZINC001151740671 815090394 /nfs/dbraw/zinc/09/03/94/815090394.db2.gz WSDPEAIVVAIGBB-AWEZNQCLSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOCC2CC2)C1 ZINC001151740671 815090404 /nfs/dbraw/zinc/09/04/04/815090404.db2.gz WSDPEAIVVAIGBB-AWEZNQCLSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@@H]2CCOC2)C1 ZINC001151739009 815090517 /nfs/dbraw/zinc/09/05/17/815090517.db2.gz JXSDFNPECLIPOA-ZIAGYGMSSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@@H]2CCOC2)C1 ZINC001151739009 815090524 /nfs/dbraw/zinc/09/05/24/815090524.db2.gz JXSDFNPECLIPOA-ZIAGYGMSSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC2CC2)C1 ZINC001151747974 815090694 /nfs/dbraw/zinc/09/06/94/815090694.db2.gz ARIGUCXQIYKBDZ-GFCCVEGCSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC2CC2)C1 ZINC001151747974 815090700 /nfs/dbraw/zinc/09/07/00/815090700.db2.gz ARIGUCXQIYKBDZ-GFCCVEGCSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCC[C@H](C)O)C1 ZINC001151740455 815090941 /nfs/dbraw/zinc/09/09/41/815090941.db2.gz TYRUOEZHJDPBAI-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCC[C@H](C)O)C1 ZINC001151740455 815090948 /nfs/dbraw/zinc/09/09/48/815090948.db2.gz TYRUOEZHJDPBAI-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](C)OC)C1 ZINC001151740820 815091085 /nfs/dbraw/zinc/09/10/85/815091085.db2.gz YCOLACCXMQESFE-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](C)OC)C1 ZINC001151740820 815091090 /nfs/dbraw/zinc/09/10/90/815091090.db2.gz YCOLACCXMQESFE-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP Cn1nnnc1C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340320 815116926 /nfs/dbraw/zinc/11/69/26/815116926.db2.gz LPFFMBVQFSACOG-UHFFFAOYSA-N 2 1 295.391 -0.708 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)CC[NH+]2CCCCC2)n1 ZINC001152340741 815117155 /nfs/dbraw/zinc/11/71/55/815117155.db2.gz XEPKFSQJOREXSG-UHFFFAOYSA-N 2 1 294.403 -0.103 20 0 CBADMP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392322 815119152 /nfs/dbraw/zinc/11/91/52/815119152.db2.gz MIQZNAVUBDUXPT-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CCO)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152392322 815119155 /nfs/dbraw/zinc/11/91/55/815119155.db2.gz MIQZNAVUBDUXPT-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CCO)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152392322 815119158 /nfs/dbraw/zinc/11/91/58/815119158.db2.gz MIQZNAVUBDUXPT-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001152440072 815121267 /nfs/dbraw/zinc/12/12/67/815121267.db2.gz WZOIEGUWUXXLRI-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001152432107 815121392 /nfs/dbraw/zinc/12/13/92/815121392.db2.gz FUOMBRVIQCDICZ-NSHDSACASA-N 2 1 270.377 -0.737 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001152427194 815121406 /nfs/dbraw/zinc/12/14/06/815121406.db2.gz UMLJPRNNBTUTNF-UHFFFAOYSA-N 2 1 285.392 -0.942 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152445873 815122266 /nfs/dbraw/zinc/12/22/66/815122266.db2.gz QAPXITCDBREOEE-GFCCVEGCSA-N 2 1 286.420 -0.053 20 0 CBADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001152445649 815122797 /nfs/dbraw/zinc/12/27/97/815122797.db2.gz LUQWPHVMHFQFKL-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001152445649 815122802 /nfs/dbraw/zinc/12/28/02/815122802.db2.gz LUQWPHVMHFQFKL-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001152451991 815123175 /nfs/dbraw/zinc/12/31/75/815123175.db2.gz PCTVVAVTSYAHQN-ZDUSSCGKSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001152452224 815123349 /nfs/dbraw/zinc/12/33/49/815123349.db2.gz XBWNNZNHEFERPT-ZDUSSCGKSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001152458170 815124214 /nfs/dbraw/zinc/12/42/14/815124214.db2.gz MBQZGDMAJKKKTE-ZDUSSCGKSA-N 2 1 294.403 -0.142 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001152458760 815124314 /nfs/dbraw/zinc/12/43/14/815124314.db2.gz SNXKCTGYWKPUFM-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001152523315 815129295 /nfs/dbraw/zinc/12/92/95/815129295.db2.gz UOPOOSJDSLICQP-CQSZACIVSA-N 2 1 292.383 -0.259 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(N)=O ZINC001152528828 815129907 /nfs/dbraw/zinc/12/99/07/815129907.db2.gz LVMLZBDGGAZXTI-WCQYABFASA-N 2 1 292.383 -0.131 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153388239 815161160 /nfs/dbraw/zinc/16/11/60/815161160.db2.gz XPBRITRROVJCEY-YPMHNXCESA-N 2 1 296.415 -0.360 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153388239 815161162 /nfs/dbraw/zinc/16/11/62/815161162.db2.gz XPBRITRROVJCEY-YPMHNXCESA-N 2 1 296.415 -0.360 20 0 CBADMP c1nc2c(c(N[C@@H]3COCCC34C[NH2+]C4)n1)C[NH2+]C2 ZINC001155462789 815285656 /nfs/dbraw/zinc/28/56/56/815285656.db2.gz VGPOPIHJNNYLFU-LLVKDONJSA-N 2 1 261.329 -0.130 20 0 CBADMP c1nc2c(c(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)n1)C[NH2+]C2 ZINC001155483326 815286623 /nfs/dbraw/zinc/28/66/23/815286623.db2.gz UBDCAVMTJLKXGL-KBVBSXBZSA-N 2 1 261.329 -0.274 20 0 CBADMP [NH3+]C1CCN(c2cc[nH+]c(NC[C@@H](O)CO)n2)CC1 ZINC001155646507 815303220 /nfs/dbraw/zinc/30/32/20/815303220.db2.gz NNQPHDBYLCQZER-SNVBAGLBSA-N 2 1 267.333 -0.831 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)c1nnnn1C ZINC001155810945 815314502 /nfs/dbraw/zinc/31/45/02/815314502.db2.gz DFIOVBYUSNQZPT-GHMZBOCLSA-N 2 1 295.391 -0.539 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001155822606 815314844 /nfs/dbraw/zinc/31/48/44/815314844.db2.gz VSFYOQZCAQTTKW-YPMHNXCESA-N 2 1 296.415 -0.156 20 0 CBADMP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144236 815340033 /nfs/dbraw/zinc/34/00/33/815340033.db2.gz CFEDTLCOBVSRPD-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144236 815340040 /nfs/dbraw/zinc/34/00/40/815340040.db2.gz CFEDTLCOBVSRPD-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC[C@@H]2CCOC2)C1 ZINC001156145730 815340152 /nfs/dbraw/zinc/34/01/52/815340152.db2.gz OMPLZWAFCHAYHP-ZIAGYGMSSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC[C@@H]2CCOC2)C1 ZINC001156145730 815340157 /nfs/dbraw/zinc/34/01/57/815340157.db2.gz OMPLZWAFCHAYHP-ZIAGYGMSSA-N 2 1 299.415 -0.161 20 0 CBADMP Cc1cc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)on1 ZINC001156145183 815340904 /nfs/dbraw/zinc/34/09/04/815340904.db2.gz JKLGXKNIVWHTII-CYBMUJFWSA-N 2 1 296.371 -0.090 20 0 CBADMP Cc1cc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)on1 ZINC001156145183 815340908 /nfs/dbraw/zinc/34/09/08/815340908.db2.gz JKLGXKNIVWHTII-CYBMUJFWSA-N 2 1 296.371 -0.090 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001156146340 815340927 /nfs/dbraw/zinc/34/09/27/815340927.db2.gz WMHWLIBSTHZNBA-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001156146340 815340931 /nfs/dbraw/zinc/34/09/31/815340931.db2.gz WMHWLIBSTHZNBA-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086122557 810242881 /nfs/dbraw/zinc/24/28/81/810242881.db2.gz PQTGOENBHYRSRP-GRYCIOLGSA-N 2 1 282.388 -0.560 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086198750 810248372 /nfs/dbraw/zinc/24/83/72/810248372.db2.gz DUZDDLLIMKLGNY-NDBYEHHHSA-N 2 1 269.389 -0.339 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086198752 810248483 /nfs/dbraw/zinc/24/84/83/810248483.db2.gz DUZDDLLIMKLGNY-WUHRBBMRSA-N 2 1 269.389 -0.339 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001086270415 810253001 /nfs/dbraw/zinc/25/30/01/810253001.db2.gz DKELJUMRICMOOM-NDBYEHHHSA-N 2 1 296.415 -0.314 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001086270931 810253461 /nfs/dbraw/zinc/25/34/61/810253461.db2.gz ZLMNRZXPYOJWNS-WYUUTHIRSA-N 2 1 282.388 -0.704 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001086277243 810255223 /nfs/dbraw/zinc/25/52/23/810255223.db2.gz YQIZNWXXBKSCSZ-XQQFMLRXSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001086277243 810255226 /nfs/dbraw/zinc/25/52/26/810255226.db2.gz YQIZNWXXBKSCSZ-XQQFMLRXSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086333174 810261761 /nfs/dbraw/zinc/26/17/61/810261761.db2.gz HQAHZUBAPUWXJG-IJLUTSLNSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086333174 810261762 /nfs/dbraw/zinc/26/17/62/810261762.db2.gz HQAHZUBAPUWXJG-IJLUTSLNSA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001086552238 810279100 /nfs/dbraw/zinc/27/91/00/810279100.db2.gz ZLMNRZXPYOJWNS-DDHJBXDOSA-N 2 1 282.388 -0.704 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086734702 810284845 /nfs/dbraw/zinc/28/48/45/810284845.db2.gz PMCDPJKYNBNKSC-XQQFMLRXSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@@H+](CCO)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409346 815357609 /nfs/dbraw/zinc/35/76/09/815357609.db2.gz LMZWQKAOQPJKDV-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001087261905 810290634 /nfs/dbraw/zinc/29/06/34/810290634.db2.gz GDLGGFRXELLFKX-SNVBAGLBSA-N 2 1 293.371 -0.140 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1CCO ZINC001087836934 810307677 /nfs/dbraw/zinc/30/76/77/810307677.db2.gz NKWODKKDRCBYSQ-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1CCO ZINC001087836934 810307685 /nfs/dbraw/zinc/30/76/85/810307685.db2.gz NKWODKKDRCBYSQ-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1CCO ZINC001087836934 810307692 /nfs/dbraw/zinc/30/76/92/810307692.db2.gz NKWODKKDRCBYSQ-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1CCO ZINC001087836934 810307697 /nfs/dbraw/zinc/30/76/97/810307697.db2.gz NKWODKKDRCBYSQ-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCO)CC[C@@H]3C2)C1 ZINC001088200121 810323716 /nfs/dbraw/zinc/32/37/16/810323716.db2.gz QJVJFFQUKKRMLV-MCIONIFRSA-N 2 1 281.400 -0.289 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCO)CC[C@@H]3C2)C1 ZINC001088200121 810323721 /nfs/dbraw/zinc/32/37/21/810323721.db2.gz QJVJFFQUKKRMLV-MCIONIFRSA-N 2 1 281.400 -0.289 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)C1 ZINC001088200121 810323725 /nfs/dbraw/zinc/32/37/25/810323725.db2.gz QJVJFFQUKKRMLV-MCIONIFRSA-N 2 1 281.400 -0.289 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CCO)C2)C1 ZINC001088287949 810324501 /nfs/dbraw/zinc/32/45/01/810324501.db2.gz IQCCNQFNCGSWHJ-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CCO)C2)C1 ZINC001088287949 810324504 /nfs/dbraw/zinc/32/45/04/810324504.db2.gz IQCCNQFNCGSWHJ-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C)CC[NH+]1C ZINC001088577693 810344924 /nfs/dbraw/zinc/34/49/24/810344924.db2.gz JZBFUBSPWLCGKE-KKOKHZNYSA-N 2 1 282.388 -0.609 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C)CC[NH+]1C ZINC001088577693 810344929 /nfs/dbraw/zinc/34/49/29/810344929.db2.gz JZBFUBSPWLCGKE-KKOKHZNYSA-N 2 1 282.388 -0.609 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)[C@@H]2C)CC[N@@H+]1C ZINC001088577693 810344935 /nfs/dbraw/zinc/34/49/35/810344935.db2.gz JZBFUBSPWLCGKE-KKOKHZNYSA-N 2 1 282.388 -0.609 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)[C@@H]2C)CC[N@H+]1C ZINC001088577693 810344943 /nfs/dbraw/zinc/34/49/43/810344943.db2.gz JZBFUBSPWLCGKE-KKOKHZNYSA-N 2 1 282.388 -0.609 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658049 810349323 /nfs/dbraw/zinc/34/93/23/810349323.db2.gz FZLOVMPKNXDDAO-YIYPIFLZSA-N 2 1 299.415 -0.069 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658049 810349331 /nfs/dbraw/zinc/34/93/31/810349331.db2.gz FZLOVMPKNXDDAO-YIYPIFLZSA-N 2 1 299.415 -0.069 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658049 810349338 /nfs/dbraw/zinc/34/93/38/810349338.db2.gz FZLOVMPKNXDDAO-YIYPIFLZSA-N 2 1 299.415 -0.069 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658049 810349343 /nfs/dbraw/zinc/34/93/43/810349343.db2.gz FZLOVMPKNXDDAO-YIYPIFLZSA-N 2 1 299.415 -0.069 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001089037922 810374418 /nfs/dbraw/zinc/37/44/18/810374418.db2.gz WSYGZUAZUSVGGU-UTUOFQBUSA-N 2 1 282.388 -0.737 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001089037922 810374426 /nfs/dbraw/zinc/37/44/26/810374426.db2.gz WSYGZUAZUSVGGU-UTUOFQBUSA-N 2 1 282.388 -0.737 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001089037922 810374431 /nfs/dbraw/zinc/37/44/31/810374431.db2.gz WSYGZUAZUSVGGU-UTUOFQBUSA-N 2 1 282.388 -0.737 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001089037922 810374437 /nfs/dbraw/zinc/37/44/37/810374437.db2.gz WSYGZUAZUSVGGU-UTUOFQBUSA-N 2 1 282.388 -0.737 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001156621478 815369631 /nfs/dbraw/zinc/36/96/31/815369631.db2.gz WTWKBKYUGQLOKO-UHFFFAOYSA-N 2 1 286.343 -0.990 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090431935 810497725 /nfs/dbraw/zinc/49/77/25/810497725.db2.gz GGJQWOJUJTXEIO-STQMWFEESA-N 2 1 296.371 -0.611 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090431935 810497732 /nfs/dbraw/zinc/49/77/32/810497732.db2.gz GGJQWOJUJTXEIO-STQMWFEESA-N 2 1 296.371 -0.611 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC001090539503 810520941 /nfs/dbraw/zinc/52/09/41/810520941.db2.gz YKLARNPZTKUAKN-KGLIPLIRSA-N 2 1 299.415 -0.738 20 0 CBADMP CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090807743 810567739 /nfs/dbraw/zinc/56/77/39/810567739.db2.gz BWYICTRUACYKDY-RYUDHWBXSA-N 2 1 266.345 -0.237 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090807743 810567744 /nfs/dbraw/zinc/56/77/44/810567744.db2.gz BWYICTRUACYKDY-RYUDHWBXSA-N 2 1 266.345 -0.237 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090814496 810569885 /nfs/dbraw/zinc/56/98/85/810569885.db2.gz JSNSRUTXHZJLMN-QWHCGFSZSA-N 2 1 285.388 -0.984 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCF)C2)C1 ZINC001090970501 810583629 /nfs/dbraw/zinc/58/36/29/810583629.db2.gz BBBCKFBOLRNACE-MCIGGMRASA-N 2 1 273.352 -0.229 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCF)C2)C1 ZINC001090970501 810583633 /nfs/dbraw/zinc/58/36/33/810583633.db2.gz BBBCKFBOLRNACE-MCIGGMRASA-N 2 1 273.352 -0.229 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001091365225 810604648 /nfs/dbraw/zinc/60/46/48/810604648.db2.gz UDKAAJGLMQKUMG-CXQJBGSLSA-N 2 1 255.362 -0.585 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1 ZINC001091543441 810611366 /nfs/dbraw/zinc/61/13/66/810611366.db2.gz IZHNZUAWUIFQOI-XUJVJEKNSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091543441 810611372 /nfs/dbraw/zinc/61/13/72/810611372.db2.gz IZHNZUAWUIFQOI-XUJVJEKNSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091543441 810611377 /nfs/dbraw/zinc/61/13/77/810611377.db2.gz IZHNZUAWUIFQOI-XUJVJEKNSA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092524135 810631778 /nfs/dbraw/zinc/63/17/78/810631778.db2.gz RSKRHLCOASINOI-MCIONIFRSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092524135 810631783 /nfs/dbraw/zinc/63/17/83/810631783.db2.gz RSKRHLCOASINOI-MCIONIFRSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1C[NH+](CCCO)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092524135 810631784 /nfs/dbraw/zinc/63/17/84/810631784.db2.gz RSKRHLCOASINOI-MCIONIFRSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1C[NH+](CCCO)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092524135 810631789 /nfs/dbraw/zinc/63/17/89/810631789.db2.gz RSKRHLCOASINOI-MCIONIFRSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092934494 810641943 /nfs/dbraw/zinc/64/19/43/810641943.db2.gz CASHMZXVTOUTMK-DGCLKSJQSA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195411 810647407 /nfs/dbraw/zinc/64/74/07/810647407.db2.gz QMHCRUIPQVJUPF-JHJVBQTASA-N 2 1 269.389 -0.386 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093195411 810647412 /nfs/dbraw/zinc/64/74/12/810647412.db2.gz QMHCRUIPQVJUPF-JHJVBQTASA-N 2 1 269.389 -0.386 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093195411 810647420 /nfs/dbraw/zinc/64/74/20/810647420.db2.gz QMHCRUIPQVJUPF-JHJVBQTASA-N 2 1 269.389 -0.386 20 0 CBADMP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890591 815389052 /nfs/dbraw/zinc/38/90/52/815389052.db2.gz PSLMMPOBNCTXPC-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](CCO)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890591 815389058 /nfs/dbraw/zinc/38/90/58/815389058.db2.gz PSLMMPOBNCTXPC-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](CCO)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890591 815389065 /nfs/dbraw/zinc/38/90/65/815389065.db2.gz PSLMMPOBNCTXPC-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001096548913 810780065 /nfs/dbraw/zinc/78/00/65/810780065.db2.gz QCUVTJCNVPXUFB-AGIUHOORSA-N 2 1 278.356 -0.095 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001096548913 810780069 /nfs/dbraw/zinc/78/00/69/810780069.db2.gz QCUVTJCNVPXUFB-AGIUHOORSA-N 2 1 278.356 -0.095 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099987364 810986538 /nfs/dbraw/zinc/98/65/38/810986538.db2.gz ZCFSYQVIDUPIHE-GHMZBOCLSA-N 2 1 261.341 -0.541 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099987364 810986541 /nfs/dbraw/zinc/98/65/41/810986541.db2.gz ZCFSYQVIDUPIHE-GHMZBOCLSA-N 2 1 261.341 -0.541 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)CCC1 ZINC001099873884 810959431 /nfs/dbraw/zinc/95/94/31/810959431.db2.gz BNYAGBKCGITCTL-NEPJUHHUSA-N 2 1 285.388 -0.986 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879470 810960079 /nfs/dbraw/zinc/96/00/79/810960079.db2.gz KMBQAGJRGYIRLB-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879470 810960089 /nfs/dbraw/zinc/96/00/89/810960089.db2.gz KMBQAGJRGYIRLB-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879470 810960096 /nfs/dbraw/zinc/96/00/96/810960096.db2.gz KMBQAGJRGYIRLB-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879471 810960590 /nfs/dbraw/zinc/96/05/90/810960590.db2.gz KMBQAGJRGYIRLB-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879471 810960595 /nfs/dbraw/zinc/96/05/95/810960595.db2.gz KMBQAGJRGYIRLB-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879471 810960598 /nfs/dbraw/zinc/96/05/98/810960598.db2.gz KMBQAGJRGYIRLB-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971859 810979310 /nfs/dbraw/zinc/97/93/10/810979310.db2.gz NLHSUZXFDCNPNT-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC001099971414 810980637 /nfs/dbraw/zinc/98/06/37/810980637.db2.gz HJXKKYGRLFSAHD-STQMWFEESA-N 2 1 299.415 -0.738 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973344 810981411 /nfs/dbraw/zinc/98/14/11/810981411.db2.gz BIYJNKXTLONVPX-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099973698 810982060 /nfs/dbraw/zinc/98/20/60/810982060.db2.gz HOBKHGPQEDHFFO-NWDGAFQWSA-N 2 1 275.368 -0.151 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099973698 810982064 /nfs/dbraw/zinc/98/20/64/810982064.db2.gz HOBKHGPQEDHFFO-NWDGAFQWSA-N 2 1 275.368 -0.151 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974666 810982253 /nfs/dbraw/zinc/98/22/53/810982253.db2.gz SWPZEHSYOKTJCH-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973342 810982483 /nfs/dbraw/zinc/98/24/83/810982483.db2.gz BIYJNKXTLONVPX-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CCOCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099988246 810986501 /nfs/dbraw/zinc/98/65/01/810986501.db2.gz FTHDRPVOIAXHII-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099988090 810986795 /nfs/dbraw/zinc/98/67/95/810986795.db2.gz CATISHKSJKPTTB-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC)C[C@H]1O ZINC001100082435 811018948 /nfs/dbraw/zinc/01/89/48/811018948.db2.gz BQPXPGREPCRVAY-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC)C[C@H]1O ZINC001100082435 811018955 /nfs/dbraw/zinc/01/89/55/811018955.db2.gz BQPXPGREPCRVAY-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC)C[C@H]1O ZINC001100082435 811018964 /nfs/dbraw/zinc/01/89/64/811018964.db2.gz BQPXPGREPCRVAY-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100124259 811023785 /nfs/dbraw/zinc/02/37/85/811023785.db2.gz FSAHYFSFICUMCH-KGLIPLIRSA-N 2 1 299.415 -0.594 20 0 CBADMP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100127782 811026281 /nfs/dbraw/zinc/02/62/81/811026281.db2.gz YUOWAWGBWGEECZ-KBPBESRZSA-N 2 1 299.415 -0.594 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCO)C[C@@H]1O ZINC001100131256 811026459 /nfs/dbraw/zinc/02/64/59/811026459.db2.gz AIFFOUGBJLFVPU-OLZOCXBDSA-N 2 1 287.404 -0.740 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100131256 811026466 /nfs/dbraw/zinc/02/64/66/811026466.db2.gz AIFFOUGBJLFVPU-OLZOCXBDSA-N 2 1 287.404 -0.740 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100131256 811026470 /nfs/dbraw/zinc/02/64/70/811026470.db2.gz AIFFOUGBJLFVPU-OLZOCXBDSA-N 2 1 287.404 -0.740 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001100509466 811061993 /nfs/dbraw/zinc/06/19/93/811061993.db2.gz IEQCQXRLVUWRJB-UNXYVOJBSA-N 2 1 293.371 -0.450 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001100678769 811071082 /nfs/dbraw/zinc/07/10/82/811071082.db2.gz WBIZXHLRGAQSLO-VOMCLLRMSA-N 2 1 282.388 -0.702 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100676860 811071198 /nfs/dbraw/zinc/07/11/98/811071198.db2.gz UNYRYNOAFCUSJS-UNXYVOJBSA-N 2 1 282.388 -0.560 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001100872719 811082442 /nfs/dbraw/zinc/08/24/42/811082442.db2.gz GSDGIFFSQSSFQB-HIFPTAJRSA-N 2 1 269.389 -0.195 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001100872720 811083160 /nfs/dbraw/zinc/08/31/60/811083160.db2.gz GSDGIFFSQSSFQB-PNESKVBLSA-N 2 1 269.389 -0.195 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CCOCCO)C2)C1 ZINC001100980829 811089347 /nfs/dbraw/zinc/08/93/47/811089347.db2.gz HVUGUXAWTWLAMD-ROKHWSDSSA-N 2 1 299.415 -0.569 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100989362 811089967 /nfs/dbraw/zinc/08/99/67/811089967.db2.gz VNWAZJKREXAQFQ-UHFFFAOYSA-N 2 1 266.345 -0.332 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1[NH2+]CCS1 ZINC001157324121 815424470 /nfs/dbraw/zinc/42/44/70/815424470.db2.gz RTQXSNBQNVDPNI-GZMMTYOYSA-N 2 1 274.390 -0.991 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])c1cccnc1 ZINC001157323272 815423530 /nfs/dbraw/zinc/42/35/30/815423530.db2.gz NSMHQYRVYIFKDG-RYUDHWBXSA-N 2 1 293.371 -0.559 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102288485 811148140 /nfs/dbraw/zinc/14/81/40/811148140.db2.gz GMFUCTGCUMZOMW-VXGBXAGGSA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292517 811149089 /nfs/dbraw/zinc/14/90/89/811149089.db2.gz RAIXEGDTASHROG-FRRDWIJNSA-N 2 1 298.431 -0.114 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320484 811152212 /nfs/dbraw/zinc/15/22/12/811152212.db2.gz DXPDUMBOJFUZSF-UPJWGTAASA-N 2 1 298.431 -0.114 20 0 CBADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102473777 811155990 /nfs/dbraw/zinc/15/59/90/811155990.db2.gz PKPMWQDKPCRIBH-VXGBXAGGSA-N 2 1 284.404 -0.502 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001102496360 811158479 /nfs/dbraw/zinc/15/84/79/811158479.db2.gz RJDXGFHIHGOGJX-FRRDWIJNSA-N 2 1 298.431 -0.114 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001102496360 811158486 /nfs/dbraw/zinc/15/84/86/811158486.db2.gz RJDXGFHIHGOGJX-FRRDWIJNSA-N 2 1 298.431 -0.114 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001102496360 811158497 /nfs/dbraw/zinc/15/84/97/811158497.db2.gz RJDXGFHIHGOGJX-FRRDWIJNSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102513940 811159110 /nfs/dbraw/zinc/15/91/10/811159110.db2.gz HDJBHAAGSGLBOB-FRRDWIJNSA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102513940 811159118 /nfs/dbraw/zinc/15/91/18/811159118.db2.gz HDJBHAAGSGLBOB-FRRDWIJNSA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102513940 811159123 /nfs/dbraw/zinc/15/91/23/811159123.db2.gz HDJBHAAGSGLBOB-FRRDWIJNSA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104000062 811192026 /nfs/dbraw/zinc/19/20/26/811192026.db2.gz UWELACVRCBGTHV-UPJWGTAASA-N 2 1 296.415 -0.360 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])C2CCC(O)CC2)n[nH]1 ZINC001157439224 815434510 /nfs/dbraw/zinc/43/45/10/815434510.db2.gz ACXPIBWRALFVBL-AMUVOQDHSA-N 2 1 294.359 -0.177 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCF ZINC001105974353 811284081 /nfs/dbraw/zinc/28/40/81/811284081.db2.gz VWJJFKIQXXVXJN-JHJVBQTASA-N 2 1 287.379 -0.029 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCF ZINC001105974353 811284091 /nfs/dbraw/zinc/28/40/91/811284091.db2.gz VWJJFKIQXXVXJN-JHJVBQTASA-N 2 1 287.379 -0.029 20 0 CBADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC001157451071 815435325 /nfs/dbraw/zinc/43/53/25/815435325.db2.gz KFJKFSYRWYBICU-LBPRGKRZSA-N 3 1 256.394 -0.180 20 0 CBADMP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2COC[NH2+]2)CC1 ZINC001157448797 815435334 /nfs/dbraw/zinc/43/53/34/815435334.db2.gz KAQRQJWGUWFRAU-JTQLQIEISA-N 2 1 285.344 -0.795 20 0 CBADMP Cc1cc(NC[C@H](O)CNC(=O)CC[NH+](C)C)nc(C)[nH+]1 ZINC001106085307 811294011 /nfs/dbraw/zinc/29/40/11/811294011.db2.gz QPAHOTNDNVCKEC-LBPRGKRZSA-N 2 1 295.387 -0.066 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]CCCO ZINC001319285346 817185617 /nfs/dbraw/zinc/18/56/17/817185617.db2.gz ZELCHOBVVNTJFM-VXGBXAGGSA-N 2 1 257.378 -0.338 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106432228 811305334 /nfs/dbraw/zinc/30/53/34/811305334.db2.gz QSINHMOGYRVBHZ-ZYHUDNBSSA-N 2 1 293.371 -0.639 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106905379 811317435 /nfs/dbraw/zinc/31/74/35/811317435.db2.gz MMDAWWSWNDDKKP-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108182458 811420486 /nfs/dbraw/zinc/42/04/86/811420486.db2.gz IROFHRJOPSQYLX-ZDUSSCGKSA-N 2 1 273.377 -0.863 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108182458 811420488 /nfs/dbraw/zinc/42/04/88/811420488.db2.gz IROFHRJOPSQYLX-ZDUSSCGKSA-N 2 1 273.377 -0.863 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108342470 811438864 /nfs/dbraw/zinc/43/88/64/811438864.db2.gz GTBKOGGTNPPOIP-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108342470 811438867 /nfs/dbraw/zinc/43/88/67/811438867.db2.gz GTBKOGGTNPPOIP-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)C1 ZINC001108342470 811438870 /nfs/dbraw/zinc/43/88/70/811438870.db2.gz GTBKOGGTNPPOIP-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)C1 ZINC001108342470 811438886 /nfs/dbraw/zinc/43/88/86/811438886.db2.gz GTBKOGGTNPPOIP-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108394140 811443759 /nfs/dbraw/zinc/44/37/59/811443759.db2.gz FVMINDCZBSFFEV-UKRRQHHQSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108394140 811443763 /nfs/dbraw/zinc/44/37/63/811443763.db2.gz FVMINDCZBSFFEV-UKRRQHHQSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001108394140 811443769 /nfs/dbraw/zinc/44/37/69/811443769.db2.gz FVMINDCZBSFFEV-UKRRQHHQSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108394140 811443774 /nfs/dbraw/zinc/44/37/74/811443774.db2.gz FVMINDCZBSFFEV-UKRRQHHQSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC)C2)C1)[NH+](C)C ZINC001108577751 811459627 /nfs/dbraw/zinc/45/96/27/811459627.db2.gz OSHBAYYLNKQJPF-YPMHNXCESA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)N2CC(C)([NH3+])C2)C1 ZINC001157643601 815450725 /nfs/dbraw/zinc/45/07/25/815450725.db2.gz CYFFBSBWBOSUNZ-JTQLQIEISA-N 2 1 254.378 -0.382 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001109673758 811499205 /nfs/dbraw/zinc/49/92/05/811499205.db2.gz QFQPAMQRFNTSNZ-MROQNXINSA-N 2 1 294.399 -0.452 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001109673758 811499211 /nfs/dbraw/zinc/49/92/11/811499211.db2.gz QFQPAMQRFNTSNZ-MROQNXINSA-N 2 1 294.399 -0.452 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674002 811499781 /nfs/dbraw/zinc/49/97/81/811499781.db2.gz WOMWFZATZHXMJR-RNJOBUHISA-N 2 1 296.415 -0.206 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674002 811499785 /nfs/dbraw/zinc/49/97/85/811499785.db2.gz WOMWFZATZHXMJR-RNJOBUHISA-N 2 1 296.415 -0.206 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(N)=O ZINC001109865263 811503756 /nfs/dbraw/zinc/50/37/56/811503756.db2.gz MIZFPDYKEYECCN-RNJOBUHISA-N 2 1 296.415 -0.077 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(N)=O ZINC001109865263 811503759 /nfs/dbraw/zinc/50/37/59/811503759.db2.gz MIZFPDYKEYECCN-RNJOBUHISA-N 2 1 296.415 -0.077 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110980128 811536418 /nfs/dbraw/zinc/53/64/18/811536418.db2.gz RDXPELGULDHYBZ-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277367 811543502 /nfs/dbraw/zinc/54/35/02/811543502.db2.gz OFDRQHNCMSIRQO-SYQHCUMBSA-N 2 1 299.415 -0.333 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(N)=O)C2 ZINC001111858153 811560079 /nfs/dbraw/zinc/56/00/79/811560079.db2.gz QOUALEMRXQLMMY-WFASDCNBSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001111858153 811560084 /nfs/dbraw/zinc/56/00/84/811560084.db2.gz QOUALEMRXQLMMY-WFASDCNBSA-N 2 1 296.415 -0.216 20 0 CBADMP COC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001112864865 811606272 /nfs/dbraw/zinc/60/62/72/811606272.db2.gz HCVKZNWDDMFOSP-MGPQQGTHSA-N 2 1 299.415 -0.522 20 0 CBADMP COC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001112864865 811606273 /nfs/dbraw/zinc/60/62/73/811606273.db2.gz HCVKZNWDDMFOSP-MGPQQGTHSA-N 2 1 299.415 -0.522 20 0 CBADMP COC[C@H](O)C[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001113543912 811645768 /nfs/dbraw/zinc/64/57/68/811645768.db2.gz LPVCZXNIQYWDIN-CYBMUJFWSA-N 2 1 297.399 -0.766 20 0 CBADMP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001113629616 811651475 /nfs/dbraw/zinc/65/14/75/811651475.db2.gz QCJCWZWLQWOKNO-OLZOCXBDSA-N 2 1 285.388 -0.910 20 0 CBADMP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113629616 811651482 /nfs/dbraw/zinc/65/14/82/811651482.db2.gz QCJCWZWLQWOKNO-OLZOCXBDSA-N 2 1 285.388 -0.910 20 0 CBADMP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccnn32)C[C@@H]1[NH3+] ZINC001157792614 815467281 /nfs/dbraw/zinc/46/72/81/815467281.db2.gz CGLDSUKIUANZHR-USWWRNFRSA-N 2 1 263.345 -0.277 20 0 CBADMP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001157844301 815470351 /nfs/dbraw/zinc/47/03/51/815470351.db2.gz VWXOMMRBBJAHRM-FOGDFJRCSA-N 2 1 265.361 -0.135 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC[C@@H](C[NH3+])[C@H]1C ZINC001157844905 815470430 /nfs/dbraw/zinc/47/04/30/815470430.db2.gz YGGDEQPHCZAKNF-VWYCJHECSA-N 2 1 271.361 -0.147 20 0 CBADMP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114405142 811748009 /nfs/dbraw/zinc/74/80/09/811748009.db2.gz NUXJIMSTJOWIGT-RFQIPJPRSA-N 2 1 291.399 -0.120 20 0 CBADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114405142 811748016 /nfs/dbraw/zinc/74/80/16/811748016.db2.gz NUXJIMSTJOWIGT-RFQIPJPRSA-N 2 1 291.399 -0.120 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001114426589 811749056 /nfs/dbraw/zinc/74/90/56/811749056.db2.gz PHEBVDSHLNZKRG-FJJYHAOUSA-N 2 1 294.399 -0.608 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001114426589 811749061 /nfs/dbraw/zinc/74/90/61/811749061.db2.gz PHEBVDSHLNZKRG-FJJYHAOUSA-N 2 1 294.399 -0.608 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114426589 811749068 /nfs/dbraw/zinc/74/90/68/811749068.db2.gz PHEBVDSHLNZKRG-FJJYHAOUSA-N 2 1 294.399 -0.608 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114426589 811749076 /nfs/dbraw/zinc/74/90/76/811749076.db2.gz PHEBVDSHLNZKRG-FJJYHAOUSA-N 2 1 294.399 -0.608 20 0 CBADMP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001157850340 815472206 /nfs/dbraw/zinc/47/22/06/815472206.db2.gz XXIBJIJQEIMVGP-YRGRVCCFSA-N 2 1 297.447 -0.677 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCCC(=O)[C@@H](F)C1 ZINC001157854664 815473385 /nfs/dbraw/zinc/47/33/85/815473385.db2.gz GUKBUIWZCGDYPY-NSHDSACASA-N 2 1 271.336 -0.142 20 0 CBADMP C[C@@]1(O)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C[C@@H]1F ZINC001157891154 815476588 /nfs/dbraw/zinc/47/65/88/815476588.db2.gz VDYRQDWQLKYRJM-JBLDHEPKSA-N 2 1 270.308 -0.399 20 0 CBADMP [NH3+]Cc1ncn(-c2ccc(N3CC[NH2+]CC3)cn2)n1 ZINC001157928266 815484247 /nfs/dbraw/zinc/48/42/47/815484247.db2.gz OWSBLMDBSFMMDW-UHFFFAOYSA-N 2 1 259.317 -0.469 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001158160196 815506803 /nfs/dbraw/zinc/50/68/03/815506803.db2.gz JFXZYNDNYUHAPA-GMXVVIOVSA-N 2 1 252.362 -0.580 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001114779121 812160227 /nfs/dbraw/zinc/16/02/27/812160227.db2.gz XOBJEOXDAJOALC-CZXHOFHRSA-N 2 1 294.399 -0.737 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001114998704 812173349 /nfs/dbraw/zinc/17/33/49/812173349.db2.gz UWMKQPUZZZPERK-DCQANWLSSA-N 2 1 282.388 -0.752 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001114998704 812173353 /nfs/dbraw/zinc/17/33/53/812173353.db2.gz UWMKQPUZZZPERK-DCQANWLSSA-N 2 1 282.388 -0.752 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115074783 812177302 /nfs/dbraw/zinc/17/73/02/812177302.db2.gz SGVQKLIPNRZMLD-CZXHOFHRSA-N 2 1 294.399 -0.737 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115074783 812177307 /nfs/dbraw/zinc/17/73/07/812177307.db2.gz SGVQKLIPNRZMLD-CZXHOFHRSA-N 2 1 294.399 -0.737 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115074783 812177312 /nfs/dbraw/zinc/17/73/12/812177312.db2.gz SGVQKLIPNRZMLD-CZXHOFHRSA-N 2 1 294.399 -0.737 20 0 CBADMP 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 812177785 /nfs/dbraw/zinc/17/77/85/812177785.db2.gz NQYDNGUJPARULB-CIQGVGRVSA-N 2 1 296.415 -0.491 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001115081238 812177789 /nfs/dbraw/zinc/17/77/89/812177789.db2.gz NQYDNGUJPARULB-CIQGVGRVSA-N 2 1 296.415 -0.491 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001115081238 812177796 /nfs/dbraw/zinc/17/77/96/812177796.db2.gz NQYDNGUJPARULB-CIQGVGRVSA-N 2 1 296.415 -0.491 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC)C[C@H]21 ZINC001115150499 812181890 /nfs/dbraw/zinc/18/18/90/812181890.db2.gz XPCVWGLHXGNANR-YABSGUDNSA-N 2 1 282.388 -0.879 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC)C[C@H]21 ZINC001115150499 812181897 /nfs/dbraw/zinc/18/18/97/812181897.db2.gz XPCVWGLHXGNANR-YABSGUDNSA-N 2 1 282.388 -0.879 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001115150499 812181903 /nfs/dbraw/zinc/18/19/03/812181903.db2.gz XPCVWGLHXGNANR-YABSGUDNSA-N 2 1 282.388 -0.879 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001115150499 812181912 /nfs/dbraw/zinc/18/19/12/812181912.db2.gz XPCVWGLHXGNANR-YABSGUDNSA-N 2 1 282.388 -0.879 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](C)O)C[C@H]21 ZINC001115161862 812183027 /nfs/dbraw/zinc/18/30/27/812183027.db2.gz OGQIUSRAWYDVJT-NMKXLXIOSA-N 2 1 269.389 -0.245 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001115161862 812183031 /nfs/dbraw/zinc/18/30/31/812183031.db2.gz OGQIUSRAWYDVJT-NMKXLXIOSA-N 2 1 269.389 -0.245 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001115161862 812183038 /nfs/dbraw/zinc/18/30/38/812183038.db2.gz OGQIUSRAWYDVJT-NMKXLXIOSA-N 2 1 269.389 -0.245 20 0 CBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115292031 812189212 /nfs/dbraw/zinc/18/92/12/812189212.db2.gz JOKFVXKCSDQEHR-NHAGDIPZSA-N 2 1 281.400 -0.099 20 0 CBADMP 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 812190617 /nfs/dbraw/zinc/19/06/17/812190617.db2.gz FAKKJFKPEGDJHT-KZVDOYCCSA-N 2 1 296.415 -0.363 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115303517 812190619 /nfs/dbraw/zinc/19/06/19/812190619.db2.gz FAKKJFKPEGDJHT-KZVDOYCCSA-N 2 1 296.415 -0.363 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115303517 812190626 /nfs/dbraw/zinc/19/06/26/812190626.db2.gz FAKKJFKPEGDJHT-KZVDOYCCSA-N 2 1 296.415 -0.363 20 0 CBADMP 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 812190927 /nfs/dbraw/zinc/19/09/27/812190927.db2.gz FAKKJFKPEGDJHT-CZXHOFHRSA-N 2 1 296.415 -0.363 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115303515 812190935 /nfs/dbraw/zinc/19/09/35/812190935.db2.gz FAKKJFKPEGDJHT-CZXHOFHRSA-N 2 1 296.415 -0.363 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115303515 812190940 /nfs/dbraw/zinc/19/09/40/812190940.db2.gz FAKKJFKPEGDJHT-CZXHOFHRSA-N 2 1 296.415 -0.363 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115303722 812191015 /nfs/dbraw/zinc/19/10/15/812191015.db2.gz IRAQJQICNYOHDG-CZXHOFHRSA-N 2 1 294.399 -0.739 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115303722 812191023 /nfs/dbraw/zinc/19/10/23/812191023.db2.gz IRAQJQICNYOHDG-CZXHOFHRSA-N 2 1 294.399 -0.739 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115303722 812191027 /nfs/dbraw/zinc/19/10/27/812191027.db2.gz IRAQJQICNYOHDG-CZXHOFHRSA-N 2 1 294.399 -0.739 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCCC1 ZINC001115450632 812196538 /nfs/dbraw/zinc/19/65/38/812196538.db2.gz IFZUHGLCOVZZIB-LBPRGKRZSA-N 2 1 296.415 -0.025 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N2CCC3(CCC[NH2+]3)CC2)C1 ZINC001158170096 815509458 /nfs/dbraw/zinc/50/94/58/815509458.db2.gz VLRPCOIAIYLBGI-MNOVXSKESA-N 2 1 252.362 -0.580 20 0 CBADMP O=C(c1cc2n(n1)CC[NH2+]C2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158230782 815515327 /nfs/dbraw/zinc/51/53/27/815515327.db2.gz CJYGFVJJFGNKRF-CMPLNLGQSA-N 2 1 261.329 -0.437 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)C[C@@H](O)C[NH3+])CC2 ZINC001158338645 815521710 /nfs/dbraw/zinc/52/17/10/815521710.db2.gz DQPLQZUNPVMGQJ-SECBINFHSA-N 2 1 252.318 -0.645 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@]1(N)CCC[NH2+]C1)CC2 ZINC001158346655 815521933 /nfs/dbraw/zinc/52/19/33/815521933.db2.gz BGOOMAZEJRDFQY-CQSZACIVSA-N 2 1 277.372 -0.274 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001158339367 815522012 /nfs/dbraw/zinc/52/20/12/815522012.db2.gz OWDAVPMAXCBLAG-JTQLQIEISA-N 3 1 265.361 -0.288 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC)CC[N@H+]1C ZINC001158413053 815526888 /nfs/dbraw/zinc/52/68/88/815526888.db2.gz UMBLTZDTEDBWSY-RWMBFGLXSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC)CC[N@H+]1C ZINC001158413052 815526941 /nfs/dbraw/zinc/52/69/41/815526941.db2.gz UMBLTZDTEDBWSY-FRRDWIJNSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC[NH2+]1 ZINC001118122420 812474090 /nfs/dbraw/zinc/47/40/90/812474090.db2.gz WDPBUJGTVJPZKD-OLZOCXBDSA-N 2 1 294.399 -0.497 20 0 CBADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]CCC(N)=O)C2 ZINC001118180082 812486110 /nfs/dbraw/zinc/48/61/10/812486110.db2.gz CBURCVUDBZFULJ-SNVBAGLBSA-N 2 1 266.345 -0.494 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001118179334 812486216 /nfs/dbraw/zinc/48/62/16/812486216.db2.gz QYUBXKWCBQFANW-RWMBFGLXSA-N 2 1 268.405 -0.147 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC001118199957 812492144 /nfs/dbraw/zinc/49/21/44/812492144.db2.gz XFCGFDWDLYHNRE-SRVKXCTJSA-N 2 1 255.362 -0.227 20 0 CBADMP C[NH2+][C@@H](C(=O)NC1CC[NH+](C)CC1)c1cnn(C)c1 ZINC001118215905 812498318 /nfs/dbraw/zinc/49/83/18/812498318.db2.gz BFIWKDKFRIIPJU-GFCCVEGCSA-N 2 1 265.361 -0.109 20 0 CBADMP C(C[NH+]1CCN(C[C@@H]2CCCO2)CC1)N1CC[NH2+]CC1 ZINC001118223080 812499799 /nfs/dbraw/zinc/49/97/99/812499799.db2.gz NDBBPNNBKRCOSE-HNNXBMFYSA-N 2 1 282.432 -0.312 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001118261256 812512163 /nfs/dbraw/zinc/51/21/63/812512163.db2.gz RZHWHEHMFAKMLZ-LLVKDONJSA-N 2 1 255.362 -0.048 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001118276667 812516452 /nfs/dbraw/zinc/51/64/52/812516452.db2.gz AVQATIXTIIQYGD-UPJWGTAASA-N 3 1 268.405 -0.005 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC001118282203 812518075 /nfs/dbraw/zinc/51/80/75/812518075.db2.gz VDXTVOQDEPBIKC-BZPMIXESSA-N 2 1 266.389 -0.652 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@H](N)CC[NH+](C)C)CC[N@H+]1C ZINC001118337470 812534105 /nfs/dbraw/zinc/53/41/05/812534105.db2.gz NYVLODUUWCJIPH-IJLUTSLNSA-N 2 1 256.394 -0.136 20 0 CBADMP Cc1nnc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1C ZINC001118350977 812537062 /nfs/dbraw/zinc/53/70/62/812537062.db2.gz SXTNXULJRWUGBM-UHFFFAOYSA-N 2 1 295.391 -0.540 20 0 CBADMP O=C(NCCC[NH2+]CCF)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158507052 815536064 /nfs/dbraw/zinc/53/60/64/815536064.db2.gz OWJURANOKPJSIG-NWDGAFQWSA-N 2 1 273.352 -0.085 20 0 CBADMP COCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158508280 815536312 /nfs/dbraw/zinc/53/63/12/815536312.db2.gz UYPOWPGOZJFIJR-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP Cn1c[nH+]cc1CCC[NH2+]C1(C(N)=O)CCOCC1 ZINC001118500950 812559710 /nfs/dbraw/zinc/55/97/10/812559710.db2.gz CSCBVYHEWVYENE-UHFFFAOYSA-N 2 1 266.345 -0.023 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158509141 815536629 /nfs/dbraw/zinc/53/66/29/815536629.db2.gz ZHXPSVPJBYCRMY-OLZOCXBDSA-N 2 1 285.388 -0.408 20 0 CBADMP C[NH2+]C[C@](C)(O)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118505417 812561070 /nfs/dbraw/zinc/56/10/70/812561070.db2.gz FANJEEBKIZOBOL-STQMWFEESA-N 2 1 257.378 -0.637 20 0 CBADMP CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001158533407 815537212 /nfs/dbraw/zinc/53/72/12/815537212.db2.gz LKEFXVGYOOFMSJ-PTRXPTGYSA-N 2 1 255.318 -0.783 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[C@@H](C)[NH2+]C)C1 ZINC001118550362 812573186 /nfs/dbraw/zinc/57/31/86/812573186.db2.gz DZLSGSUCSMMRPE-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158567167 815537892 /nfs/dbraw/zinc/53/78/92/815537892.db2.gz FKTJUIFUYOTHIC-USWWRNFRSA-N 2 1 295.362 -0.185 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)C1 ZINC001158576612 815539781 /nfs/dbraw/zinc/53/97/81/815539781.db2.gz CCPJKOXRIMNRTF-ZDCRXTMVSA-N 2 1 270.352 -0.789 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001158603144 815540538 /nfs/dbraw/zinc/54/05/38/815540538.db2.gz GBYZZXWFOOONOW-ZDUSSCGKSA-N 3 1 286.420 -0.377 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CNC1CC[NH2+]CC1 ZINC001158626306 815540556 /nfs/dbraw/zinc/54/05/56/815540556.db2.gz JXZWIBYELBFFJB-NWDGAFQWSA-N 2 1 268.405 -0.121 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001158604202 815540940 /nfs/dbraw/zinc/54/09/40/815540940.db2.gz KRSWTCAZOBIGQH-RYUDHWBXSA-N 2 1 273.352 -0.275 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001118861484 812644047 /nfs/dbraw/zinc/64/40/47/812644047.db2.gz JFPFILDFFPKVAM-WDEREUQCSA-N 2 1 258.366 -0.650 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001118861482 812644463 /nfs/dbraw/zinc/64/44/63/812644463.db2.gz JFPFILDFFPKVAM-MNOVXSKESA-N 2 1 258.366 -0.650 20 0 CBADMP [NH3+]C1CC[NH+](CCc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC001118979816 812681889 /nfs/dbraw/zinc/68/18/89/812681889.db2.gz XYKVXTRHDIDOFW-ZDUSSCGKSA-N 3 1 264.377 -0.222 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001119036109 812693969 /nfs/dbraw/zinc/69/39/69/812693969.db2.gz DEFSDPWFXBCTLM-RYUDHWBXSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001119036107 812694063 /nfs/dbraw/zinc/69/40/63/812694063.db2.gz DEFSDPWFXBCTLM-NEPJUHHUSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001119295859 812745849 /nfs/dbraw/zinc/74/58/49/812745849.db2.gz YVVWCNMFHKSSDY-RWMBFGLXSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@H](CNC(=O)CCC1C[NH2+]C1)N1CCN(C)CC1 ZINC001119296650 812746280 /nfs/dbraw/zinc/74/62/80/812746280.db2.gz YZROLNORTIIBCU-GFCCVEGCSA-N 2 1 268.405 -0.262 20 0 CBADMP COCCOCCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001119333403 812758867 /nfs/dbraw/zinc/75/88/67/812758867.db2.gz SSMRHTLPXVDCKK-UHFFFAOYSA-N 2 1 297.403 -0.093 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC001119355177 812764026 /nfs/dbraw/zinc/76/40/26/812764026.db2.gz QYSXCLXQPKCAJU-AOOOYVTPSA-N 2 1 268.361 -0.950 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001119352510 812764130 /nfs/dbraw/zinc/76/41/30/812764130.db2.gz MGRGCEBDCXZTMJ-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)C1CC1 ZINC001119355891 812765477 /nfs/dbraw/zinc/76/54/77/812765477.db2.gz ZRSDJBKAJZXSAE-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC001119407878 812776315 /nfs/dbraw/zinc/77/63/15/812776315.db2.gz RBOYZSBGEKOKEK-FDYHWXHSSA-N 2 1 296.415 -0.029 20 0 CBADMP C[NH+]1CCN(C2CCN(C(=O)NCC[NH3+])CC2)CC1 ZINC001119415000 812778009 /nfs/dbraw/zinc/77/80/09/812778009.db2.gz PGKFNNXUYHJHSG-UHFFFAOYSA-N 2 1 269.393 -0.634 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001119418645 812779610 /nfs/dbraw/zinc/77/96/10/812779610.db2.gz RNXMQMIDIJTTJQ-SRVKXCTJSA-N 2 1 294.399 -0.560 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCCO1 ZINC001119618262 812834113 /nfs/dbraw/zinc/83/41/13/812834113.db2.gz DTJXHKMANMWCAF-RYUDHWBXSA-N 2 1 254.334 -0.706 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)Cn2cccn2)CCCO1 ZINC001119618262 812834126 /nfs/dbraw/zinc/83/41/26/812834126.db2.gz DTJXHKMANMWCAF-RYUDHWBXSA-N 2 1 254.334 -0.706 20 0 CBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCc1cccnc1 ZINC001119618558 812835649 /nfs/dbraw/zinc/83/56/49/812835649.db2.gz OAABDCUGOIHFJB-UHFFFAOYSA-N 2 1 277.372 -0.807 20 0 CBADMP O[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C[C@]1(O)CCOC1 ZINC001119662038 812861574 /nfs/dbraw/zinc/86/15/74/812861574.db2.gz LSRQPZSNMOLANO-QNWHQSFQSA-N 2 1 256.346 -0.960 20 0 CBADMP O[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C[C@]1(O)CCOC1 ZINC001119662038 812861584 /nfs/dbraw/zinc/86/15/84/812861584.db2.gz LSRQPZSNMOLANO-QNWHQSFQSA-N 2 1 256.346 -0.960 20 0 CBADMP C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C(C)(C)C[NH+](C)C ZINC001119834467 812893996 /nfs/dbraw/zinc/89/39/96/812893996.db2.gz MWCFPRTXLCADON-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C)C(C)(C)C[NH+](C)C ZINC001119834467 812894004 /nfs/dbraw/zinc/89/40/04/812894004.db2.gz MWCFPRTXLCADON-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H]1Cn2nc(C(=O)NC(C)(C)C[NH3+])cc2C[NH2+]1 ZINC001120452818 812969014 /nfs/dbraw/zinc/96/90/14/812969014.db2.gz LDBBFEOBIHPKHS-QMMMGPOBSA-N 2 1 251.334 -0.158 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159292676 815567343 /nfs/dbraw/zinc/56/73/43/815567343.db2.gz XWSTYDYGTAFCGJ-ZDUSSCGKSA-N 2 1 295.383 -0.179 20 0 CBADMP [NH3+]CCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001120538501 812985827 /nfs/dbraw/zinc/98/58/27/812985827.db2.gz OKXXVWFSTDLVDH-WDEREUQCSA-N 2 1 256.350 -0.814 20 0 CBADMP [NH3+]CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001120538497 812985887 /nfs/dbraw/zinc/98/58/87/812985887.db2.gz OKXXVWFSTDLVDH-MNOVXSKESA-N 2 1 256.350 -0.814 20 0 CBADMP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159290128 815567782 /nfs/dbraw/zinc/56/77/82/815567782.db2.gz DHCRNTOJOPCUEL-CHWSQXEVSA-N 2 1 279.384 -0.347 20 0 CBADMP O[C@H](C[NH2+]CCNc1cnccn1)C[NH+]1CCCC1 ZINC001120573007 812994981 /nfs/dbraw/zinc/99/49/81/812994981.db2.gz KPIFMBXRUPTORI-GFCCVEGCSA-N 2 1 265.361 -0.065 20 0 CBADMP Cc1nnc(CC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)n1C ZINC001120598305 812996987 /nfs/dbraw/zinc/99/69/87/812996987.db2.gz AAOYSQNMJFXHAW-LBPRGKRZSA-N 2 1 267.377 -0.289 20 0 CBADMP Cc1nnc(CC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)n1C ZINC001120598305 812996994 /nfs/dbraw/zinc/99/69/94/812996994.db2.gz AAOYSQNMJFXHAW-LBPRGKRZSA-N 2 1 267.377 -0.289 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1(C[NH3+])CCCC1 ZINC001121895076 813084456 /nfs/dbraw/zinc/08/44/56/813084456.db2.gz AKOKQJNCLDMSMO-NWDGAFQWSA-N 2 1 266.389 -0.238 20 0 CBADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001121989676 813101042 /nfs/dbraw/zinc/10/10/42/813101042.db2.gz VKKFOAFRXVDNBO-DYEKYZERSA-N 2 1 269.389 -0.053 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121996787 813102246 /nfs/dbraw/zinc/10/22/46/813102246.db2.gz NOMXGLNXDPBJHZ-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001121998132 813103121 /nfs/dbraw/zinc/10/31/21/813103121.db2.gz QPOCTQMJRPEQNF-STQMWFEESA-N 2 1 266.389 -0.510 20 0 CBADMP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001121998129 813103140 /nfs/dbraw/zinc/10/31/40/813103140.db2.gz QPOCTQMJRPEQNF-CHWSQXEVSA-N 2 1 266.389 -0.510 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001122023200 813106316 /nfs/dbraw/zinc/10/63/16/813106316.db2.gz KYCJPKHOGDOUIW-RKDXNWHRSA-N 2 1 251.334 -0.158 20 0 CBADMP [NH3+]Cc1ncc(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)s1 ZINC001122064418 813111879 /nfs/dbraw/zinc/11/18/79/813111879.db2.gz XVCKCHVEZGCIAZ-SSDOTTSWSA-N 2 1 268.342 -0.538 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)CC2 ZINC001122079389 813114429 /nfs/dbraw/zinc/11/44/29/813114429.db2.gz MRNWTDNJSKLJAV-WCQGTBRESA-N 2 1 264.329 -0.797 20 0 CBADMP [NH3+]C[C@H](O)CNC(=O)[C@@H]1[NH2+]CCOc2ccccc21 ZINC001122150322 813124749 /nfs/dbraw/zinc/12/47/49/813124749.db2.gz XPWCHTWTYMRUJC-JOYOIKCWSA-N 2 1 265.313 -0.855 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2C[NH2+]1 ZINC001122185486 813129360 /nfs/dbraw/zinc/12/93/60/813129360.db2.gz TZKZUOOTICCFPV-UTLUCORTSA-N 2 1 261.329 -0.439 20 0 CBADMP CC(C)[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)CC[N@H+]1C ZINC001122191654 813130460 /nfs/dbraw/zinc/13/04/60/813130460.db2.gz NHHWHXVJJUHPED-QWHCGFSZSA-N 2 1 268.405 -0.311 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC001122205357 813132467 /nfs/dbraw/zinc/13/24/67/813132467.db2.gz GWWRUVIUGOUOPA-RYUDHWBXSA-N 2 1 255.362 -0.096 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC001122205357 813132472 /nfs/dbraw/zinc/13/24/72/813132472.db2.gz GWWRUVIUGOUOPA-RYUDHWBXSA-N 2 1 255.362 -0.096 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC001122205355 813133108 /nfs/dbraw/zinc/13/31/08/813133108.db2.gz GWWRUVIUGOUOPA-NEPJUHHUSA-N 2 1 255.362 -0.096 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC001122205355 813133112 /nfs/dbraw/zinc/13/31/12/813133112.db2.gz GWWRUVIUGOUOPA-NEPJUHHUSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C)N1CC[NH+](C)CC1 ZINC001122224060 813136070 /nfs/dbraw/zinc/13/60/70/813136070.db2.gz CDMQYOFCZWEEOU-IJLUTSLNSA-N 2 1 254.378 -0.654 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCCCC[NH+]1CCNCC1 ZINC001122278498 813140068 /nfs/dbraw/zinc/14/00/68/813140068.db2.gz WOJSFFUCFSNADA-KGLIPLIRSA-N 2 1 298.431 -0.458 20 0 CBADMP C[C@@]1(C(=O)Nc2cc3n(n2)CC[NH2+]C3)C[C@@H](O)C[NH2+]1 ZINC001122376086 813155582 /nfs/dbraw/zinc/15/55/82/813155582.db2.gz VYGAJOCAKCYASM-SKDRFNHKSA-N 2 1 265.317 -0.962 20 0 CBADMP NC(=O)c1ncc(Cl)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001159784875 815594301 /nfs/dbraw/zinc/59/43/01/815594301.db2.gz LLZGDJFUINNBCY-LURJTMIESA-N 2 1 258.713 -0.336 20 0 CBADMP C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCN1C ZINC001122448294 813165298 /nfs/dbraw/zinc/16/52/98/813165298.db2.gz MEZGFYYOSILBMF-DDHJBXDOSA-N 2 1 254.378 -0.526 20 0 CBADMP C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001122448292 813165330 /nfs/dbraw/zinc/16/53/30/813165330.db2.gz MEZGFYYOSILBMF-BJDJZHNGSA-N 2 1 254.378 -0.526 20 0 CBADMP C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@@H]1C[N@@H+](C)CCN1C ZINC001122447570 813165522 /nfs/dbraw/zinc/16/55/22/813165522.db2.gz FSRPOXFZXQCZOH-XQQFMLRXSA-N 2 1 268.405 -0.121 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC001122567167 813176694 /nfs/dbraw/zinc/17/66/94/813176694.db2.gz RKEHPJHCGBJZII-KXNHARMFSA-N 2 1 253.346 -0.617 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC001122567167 813176696 /nfs/dbraw/zinc/17/66/96/813176696.db2.gz RKEHPJHCGBJZII-KXNHARMFSA-N 2 1 253.346 -0.617 20 0 CBADMP O=C(NCCC[NH2+]CCO)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001159868308 815602741 /nfs/dbraw/zinc/60/27/41/815602741.db2.gz APZJGHLLFDZIBF-CQSZACIVSA-N 2 1 299.415 -0.282 20 0 CBADMP C[NH+](C)C[C@]1(O)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001123860983 813281839 /nfs/dbraw/zinc/28/18/39/813281839.db2.gz WGHCPPRLCAGNLY-GXTWGEPZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H]1CCC[NH+]1C ZINC001123938677 813297337 /nfs/dbraw/zinc/29/73/37/813297337.db2.gz HAVCGDSYTGRITF-JHJVBQTASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H]1CCC[N@@H+]1C ZINC001123938677 813297343 /nfs/dbraw/zinc/29/73/43/813297343.db2.gz HAVCGDSYTGRITF-JHJVBQTASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H]1CCC[N@H+]1C ZINC001123938677 813297350 /nfs/dbraw/zinc/29/73/50/813297350.db2.gz HAVCGDSYTGRITF-JHJVBQTASA-N 2 1 266.389 -0.415 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001124838319 813486501 /nfs/dbraw/zinc/48/65/01/813486501.db2.gz VXKZOXUQLREQKK-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124838332 813486744 /nfs/dbraw/zinc/48/67/44/813486744.db2.gz WCTPJJSBAKTICR-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001124867016 813488929 /nfs/dbraw/zinc/48/89/29/813488929.db2.gz PZUKSCVJTUYLIW-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001124866772 813488953 /nfs/dbraw/zinc/48/89/53/813488953.db2.gz KNGWCORGEPCMNN-QWRGUYRKSA-N 2 1 268.361 -0.983 20 0 CBADMP CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001124866771 813489541 /nfs/dbraw/zinc/48/95/41/813489541.db2.gz KNGWCORGEPCMNN-MNOVXSKESA-N 2 1 268.361 -0.983 20 0 CBADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124867484 813491778 /nfs/dbraw/zinc/49/17/78/813491778.db2.gz WIQSMNXSHJVVBA-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001124872428 813492105 /nfs/dbraw/zinc/49/21/05/813492105.db2.gz FTMKWYPFKBUHJM-LBPRGKRZSA-N 2 1 293.371 -0.215 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001124867681 813492717 /nfs/dbraw/zinc/49/27/17/813492717.db2.gz XWEZQOXXTGTCHA-QWHCGFSZSA-N 2 1 295.387 -0.956 20 0 CBADMP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001124878046 813493478 /nfs/dbraw/zinc/49/34/78/813493478.db2.gz KRZZTWXZWZVBID-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001124879471 813494430 /nfs/dbraw/zinc/49/44/30/813494430.db2.gz UQCIUTAVCDJXEI-CHWSQXEVSA-N 2 1 296.415 -0.297 20 0 CBADMP COC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125226837 813538978 /nfs/dbraw/zinc/53/89/78/813538978.db2.gz IILBWNITSTTWNY-QWRGUYRKSA-N 2 1 259.350 -0.942 20 0 CBADMP CCO[C@H](C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001125219764 813531742 /nfs/dbraw/zinc/53/17/42/813531742.db2.gz BJXBNAVXHLGWQC-KGLIPLIRSA-N 2 1 299.415 -0.162 20 0 CBADMP CCO[C@H](C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001125219764 813531749 /nfs/dbraw/zinc/53/17/49/813531749.db2.gz BJXBNAVXHLGWQC-KGLIPLIRSA-N 2 1 299.415 -0.162 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125209325 813531827 /nfs/dbraw/zinc/53/18/27/813531827.db2.gz SAOUVMXFCJFZIJ-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125209325 813531837 /nfs/dbraw/zinc/53/18/37/813531837.db2.gz SAOUVMXFCJFZIJ-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCC(F)(F)F)C1 ZINC001125220168 813532226 /nfs/dbraw/zinc/53/22/26/813532226.db2.gz DGDLYJXVSMWASR-SECBINFHSA-N 2 1 283.294 -0.025 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCC(F)(F)F)C1 ZINC001125220168 813532229 /nfs/dbraw/zinc/53/22/29/813532229.db2.gz DGDLYJXVSMWASR-SECBINFHSA-N 2 1 283.294 -0.025 20 0 CBADMP Cc1nn(C)cc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125213028 813532905 /nfs/dbraw/zinc/53/29/05/813532905.db2.gz AEQCRKKWIMQOPW-ZDUSSCGKSA-N 2 1 295.387 -0.735 20 0 CBADMP Cc1nn(C)cc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125213028 813532910 /nfs/dbraw/zinc/53/29/10/813532910.db2.gz AEQCRKKWIMQOPW-ZDUSSCGKSA-N 2 1 295.387 -0.735 20 0 CBADMP CO[C@@H](C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CCC1 ZINC001125220162 813533491 /nfs/dbraw/zinc/53/34/91/813533491.db2.gz DCXDLUPUPPUSQC-UONOGXRCSA-N 2 1 299.415 -0.162 20 0 CBADMP CO[C@@H](C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCC1 ZINC001125220162 813533498 /nfs/dbraw/zinc/53/34/98/813533498.db2.gz DCXDLUPUPPUSQC-UONOGXRCSA-N 2 1 299.415 -0.162 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCCOC2)C1 ZINC001125221700 813534458 /nfs/dbraw/zinc/53/44/58/813534458.db2.gz SLTMPJRZQYWJHA-STQMWFEESA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCCOC2)C1 ZINC001125221700 813534462 /nfs/dbraw/zinc/53/44/62/813534462.db2.gz SLTMPJRZQYWJHA-STQMWFEESA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001125222257 813535742 /nfs/dbraw/zinc/53/57/42/813535742.db2.gz UMRGDECKXUHCQH-STQMWFEESA-N 2 1 285.388 -0.408 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001125222257 813535748 /nfs/dbraw/zinc/53/57/48/813535748.db2.gz UMRGDECKXUHCQH-STQMWFEESA-N 2 1 285.388 -0.408 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@H]2CCOC2)C1 ZINC001125221156 813535757 /nfs/dbraw/zinc/53/57/57/813535757.db2.gz NRBMVAPMWHXCSD-QWHCGFSZSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@H]2CCOC2)C1 ZINC001125221156 813535764 /nfs/dbraw/zinc/53/57/64/813535764.db2.gz NRBMVAPMWHXCSD-QWHCGFSZSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCCOC2)C1 ZINC001125221697 813536051 /nfs/dbraw/zinc/53/60/51/813536051.db2.gz SLTMPJRZQYWJHA-OLZOCXBDSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCCOC2)C1 ZINC001125221697 813536057 /nfs/dbraw/zinc/53/60/57/813536057.db2.gz SLTMPJRZQYWJHA-OLZOCXBDSA-N 2 1 285.388 -0.551 20 0 CBADMP COC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125226835 813538103 /nfs/dbraw/zinc/53/81/03/813538103.db2.gz IILBWNITSTTWNY-GHMZBOCLSA-N 2 1 259.350 -0.942 20 0 CBADMP COC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125226835 813538107 /nfs/dbraw/zinc/53/81/07/813538107.db2.gz IILBWNITSTTWNY-GHMZBOCLSA-N 2 1 259.350 -0.942 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC2CCOCC2)C1 ZINC001125227557 813538351 /nfs/dbraw/zinc/53/83/51/813538351.db2.gz WEILGLZEZWDCHU-CYBMUJFWSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC2CCOCC2)C1 ZINC001125227557 813538360 /nfs/dbraw/zinc/53/83/60/813538360.db2.gz WEILGLZEZWDCHU-CYBMUJFWSA-N 2 1 285.388 -0.551 20 0 CBADMP COC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125226837 813538977 /nfs/dbraw/zinc/53/89/77/813538977.db2.gz IILBWNITSTTWNY-QWRGUYRKSA-N 2 1 259.350 -0.942 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001127066063 813710237 /nfs/dbraw/zinc/71/02/37/813710237.db2.gz IRTPCDPPISIXNZ-GFCCVEGCSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001127066063 813710244 /nfs/dbraw/zinc/71/02/44/813710244.db2.gz IRTPCDPPISIXNZ-GFCCVEGCSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001127066445 813710394 /nfs/dbraw/zinc/71/03/94/813710394.db2.gz ORCKLYUJGHBNMN-ZDUSSCGKSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001127066445 813710397 /nfs/dbraw/zinc/71/03/97/813710397.db2.gz ORCKLYUJGHBNMN-ZDUSSCGKSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001127082500 813711539 /nfs/dbraw/zinc/71/15/39/813711539.db2.gz SHHBNHDEFGCWBW-NEPJUHHUSA-N 2 1 284.404 -0.171 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127260227 813721241 /nfs/dbraw/zinc/72/12/41/813721241.db2.gz AABUTXNJRFNSDL-NWDGAFQWSA-N 2 1 255.362 -0.441 20 0 CBADMP O=C(NCC[NH2+]CCOCCO)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256767 813722015 /nfs/dbraw/zinc/72/20/15/813722015.db2.gz RQAGTIAANCGMEU-UONOGXRCSA-N 2 1 299.415 -0.425 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127473636 813731349 /nfs/dbraw/zinc/73/13/49/813731349.db2.gz BBMIXKZCAJZRDM-GFCCVEGCSA-N 2 1 292.387 -0.637 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)n1 ZINC001127474160 813731765 /nfs/dbraw/zinc/73/17/65/813731765.db2.gz HWJLAILTZFUJTH-AWEZNQCLSA-N 2 1 291.399 -0.032 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475129 813731863 /nfs/dbraw/zinc/73/18/63/813731863.db2.gz RFZRNTWKYSFGSX-ZDUSSCGKSA-N 2 1 291.399 -0.032 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127638803 813739074 /nfs/dbraw/zinc/73/90/74/813739074.db2.gz QSHWBENUGYZTCG-IJLUTSLNSA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643796 813739182 /nfs/dbraw/zinc/73/91/82/813739182.db2.gz LNHPPYNOOLCAQC-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643939 813739739 /nfs/dbraw/zinc/73/97/39/813739739.db2.gz RTBWGXKWOBRFGL-HBNTYKKESA-N 2 1 270.377 -0.833 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659453 813740765 /nfs/dbraw/zinc/74/07/65/813740765.db2.gz BCFLVJWFFNRJBG-JHJVBQTASA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@H](O)COC)CC[N@H+]1C ZINC001127701257 813740834 /nfs/dbraw/zinc/74/08/34/813740834.db2.gz LWOQZRLSYGFFGV-RWMBFGLXSA-N 2 1 287.404 -0.570 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cnn(C)c2)CC[N@H+]1C ZINC001127685112 813741943 /nfs/dbraw/zinc/74/19/43/813741943.db2.gz CYBRGJZCYHBFQB-DGCLKSJQSA-N 2 1 279.388 -0.034 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)CC[N@H+]1C ZINC001127691008 813742030 /nfs/dbraw/zinc/74/20/30/813742030.db2.gz XBHQTPHWOOJEIR-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)CC[N@H+]1C ZINC001127701700 813742158 /nfs/dbraw/zinc/74/21/58/813742158.db2.gz WNPORHGXFZSDBO-GARJFASQSA-N 2 1 270.377 -0.704 20 0 CBADMP CC(C)OCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127760322 813747532 /nfs/dbraw/zinc/74/75/32/813747532.db2.gz JEGHPCWXODIPLX-UONOGXRCSA-N 2 1 299.415 -0.020 20 0 CBADMP CCOCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127784758 813749463 /nfs/dbraw/zinc/74/94/63/813749463.db2.gz BDOCGKPHKPDWOC-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP CCOCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127784760 813749563 /nfs/dbraw/zinc/74/95/63/813749563.db2.gz BDOCGKPHKPDWOC-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001128773570 813798101 /nfs/dbraw/zinc/79/81/01/813798101.db2.gz BMODUTPBMVLZKN-ZDUSSCGKSA-N 2 1 294.403 -0.105 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001128773570 813798107 /nfs/dbraw/zinc/79/81/07/813798107.db2.gz BMODUTPBMVLZKN-ZDUSSCGKSA-N 2 1 294.403 -0.105 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001128786128 813798908 /nfs/dbraw/zinc/79/89/08/813798908.db2.gz RTDFJCBUKPRIDG-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001128784103 813799356 /nfs/dbraw/zinc/79/93/56/813799356.db2.gz LDSLVGUGCSQKOD-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129352184 813835950 /nfs/dbraw/zinc/83/59/50/813835950.db2.gz WNHGTAVFHYLXFL-UHFFFAOYSA-N 2 1 280.376 -0.495 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001129352234 813836137 /nfs/dbraw/zinc/83/61/37/813836137.db2.gz XBKMROAIMOVORE-UHFFFAOYSA-N 2 1 280.376 -0.495 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328160 813836334 /nfs/dbraw/zinc/83/63/34/813836334.db2.gz MFXDGONJKPNDBG-OLZOCXBDSA-N 2 1 298.431 -0.195 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129416831 813839268 /nfs/dbraw/zinc/83/92/68/813839268.db2.gz KDAGUBOLIPXMRA-JTQLQIEISA-N 2 1 279.344 -0.788 20 0 CBADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+]CC1CC1 ZINC001129386540 813840328 /nfs/dbraw/zinc/84/03/28/813840328.db2.gz MTMRURKOOPZCEC-ZDUSSCGKSA-N 2 1 279.388 -0.071 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21)C(N)=O ZINC001129417844 813842078 /nfs/dbraw/zinc/84/20/78/813842078.db2.gz QJPQJXUPKIBFTN-VHSXEESVSA-N 2 1 279.344 -0.660 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129423359 813844126 /nfs/dbraw/zinc/84/41/26/813844126.db2.gz SYQBKUSNXPEWFA-CYBMUJFWSA-N 2 1 296.415 -0.155 20 0 CBADMP CN(C(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001129526739 813848693 /nfs/dbraw/zinc/84/86/93/813848693.db2.gz PXASNYGJMYDUPI-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001129531961 813849135 /nfs/dbraw/zinc/84/91/35/813849135.db2.gz NUSGHINTIQKNHT-VIFPVBQESA-N 2 1 256.350 -0.950 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+]CCN1CCCC1=O)C1CCC1 ZINC001129535467 813850663 /nfs/dbraw/zinc/85/06/63/813850663.db2.gz SUYCAHSCRPALMT-UHFFFAOYSA-N 2 1 296.415 -0.201 20 0 CBADMP CN1CC[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001129535247 813850890 /nfs/dbraw/zinc/85/08/90/813850890.db2.gz MJCNFMJCMZFNPI-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129532375 813851003 /nfs/dbraw/zinc/85/10/03/813851003.db2.gz ZKIWWIQOWHAIRJ-GFCCVEGCSA-N 2 1 273.377 -0.816 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)nn1 ZINC001129842235 813870227 /nfs/dbraw/zinc/87/02/27/813870227.db2.gz UWHYXBABLVTPIO-ZDUSSCGKSA-N 2 1 294.403 -0.105 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)CC[C@@H]2CCC[N@H+]2C)nn1 ZINC001129842235 813870240 /nfs/dbraw/zinc/87/02/40/813870240.db2.gz UWHYXBABLVTPIO-ZDUSSCGKSA-N 2 1 294.403 -0.105 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC001129842003 813871347 /nfs/dbraw/zinc/87/13/47/813871347.db2.gz RQMVWRRMWNOHMJ-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001129946986 813882677 /nfs/dbraw/zinc/88/26/77/813882677.db2.gz DDLXQYXCBCYJTQ-LBPRGKRZSA-N 2 1 282.392 -0.393 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130186288 813915921 /nfs/dbraw/zinc/91/59/21/813915921.db2.gz FCYCBGGTARPQLU-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP COC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184313 813916329 /nfs/dbraw/zinc/91/63/29/813916329.db2.gz LDLBLGNMPVHARQ-QJPTWQEYSA-N 2 1 273.377 -0.554 20 0 CBADMP COC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184313 813916333 /nfs/dbraw/zinc/91/63/33/813916333.db2.gz LDLBLGNMPVHARQ-QJPTWQEYSA-N 2 1 273.377 -0.554 20 0 CBADMP CC[C@H](C(=O)NCC[NH2+]Cc1cn(CC)nn1)[NH+](C)C ZINC001130205814 813917804 /nfs/dbraw/zinc/91/78/04/813917804.db2.gz XMWBKPUOFCVXGV-GFCCVEGCSA-N 2 1 282.392 -0.156 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001130296882 813921786 /nfs/dbraw/zinc/92/17/86/813921786.db2.gz DDBDFASEZHBJCL-MNOVXSKESA-N 2 1 268.361 -0.935 20 0 CBADMP CN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC001130304021 813923898 /nfs/dbraw/zinc/92/38/98/813923898.db2.gz QLWZOJSXTNWFQR-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC001130304023 813924053 /nfs/dbraw/zinc/92/40/53/813924053.db2.gz QLWZOJSXTNWFQR-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001130300236 813924363 /nfs/dbraw/zinc/92/43/63/813924363.db2.gz KLLGFBIPEOMCSG-GFCCVEGCSA-N 2 1 297.403 -0.798 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC001130300853 813924706 /nfs/dbraw/zinc/92/47/06/813924706.db2.gz WHUMYMJPNOEBCT-NXEZZACHSA-N 2 1 256.350 -0.950 20 0 CBADMP CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001130297387 813925536 /nfs/dbraw/zinc/92/55/36/813925536.db2.gz LPGZRVXGKCIHFI-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001130300845 813925915 /nfs/dbraw/zinc/92/59/15/813925915.db2.gz WCYGIUYILZLXDP-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)NC1CC1 ZINC001130306061 813926497 /nfs/dbraw/zinc/92/64/97/813926497.db2.gz QIHYFHRLLCCUFN-YPMHNXCESA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001130428014 813939426 /nfs/dbraw/zinc/93/94/26/813939426.db2.gz YTMNKNZSMUBGBS-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001130427355 813939475 /nfs/dbraw/zinc/93/94/75/813939475.db2.gz MSWBJEDPCVZUSQ-SNVBAGLBSA-N 2 1 272.393 -0.443 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)c2ccc3c[nH+]cn3c2)nn1 ZINC001131372410 814024228 /nfs/dbraw/zinc/02/42/28/814024228.db2.gz GCYCCOLAMVMGBQ-UHFFFAOYSA-N 2 1 299.338 -0.018 20 0 CBADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131387221 814026120 /nfs/dbraw/zinc/02/61/20/814026120.db2.gz GQEVAOXDYPWCSX-LBPRGKRZSA-N 2 1 295.387 -0.188 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CCc1ccnn1C ZINC001131380147 814026305 /nfs/dbraw/zinc/02/63/05/814026305.db2.gz DMFKLDOMJAXFAS-UHFFFAOYSA-N 2 1 290.371 -0.126 20 0 CBADMP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380308 814026490 /nfs/dbraw/zinc/02/64/90/814026490.db2.gz JHSJETLXJLQUPF-LLVKDONJSA-N 2 1 295.387 -0.188 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001131387488 814026882 /nfs/dbraw/zinc/02/68/82/814026882.db2.gz RENBDWZOJIMUCL-LLVKDONJSA-N 2 1 293.371 -0.436 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001131380032 814026995 /nfs/dbraw/zinc/02/69/95/814026995.db2.gz AVDRKFZRIVTVLG-LLVKDONJSA-N 2 1 279.344 -0.824 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131387220 814027078 /nfs/dbraw/zinc/02/70/78/814027078.db2.gz GQEVAOXDYPWCSX-GFCCVEGCSA-N 2 1 295.387 -0.188 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131384714 814027423 /nfs/dbraw/zinc/02/74/23/814027423.db2.gz IAAAZKLIFKPCBL-JTQLQIEISA-N 2 1 267.333 -0.968 20 0 CBADMP CO[C@@H](C)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380686 814028324 /nfs/dbraw/zinc/02/83/24/814028324.db2.gz WMNDSYFPVODLFH-NSHDSACASA-N 2 1 254.334 -0.068 20 0 CBADMP O=C(NCC[NH2+]CCF)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520498 814037140 /nfs/dbraw/zinc/03/71/40/814037140.db2.gz ZRQWGKTVDPFABC-AKJDGMEZSA-N 2 1 271.336 -0.475 20 0 CBADMP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520235 814038565 /nfs/dbraw/zinc/03/85/65/814038565.db2.gz VOGAGUHAPIEIMD-UQJCBBSYSA-N 2 1 297.399 -0.410 20 0 CBADMP O=C(NCC[NH2+]CC1CC1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519624 814038717 /nfs/dbraw/zinc/03/87/17/814038717.db2.gz HXFPCVSCQAEZKH-JVWICGRDSA-N 2 1 279.384 -0.035 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001132848848 814193842 /nfs/dbraw/zinc/19/38/42/814193842.db2.gz UHDWIFPKDXDNGA-KBPBESRZSA-N 2 1 299.415 -0.162 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](C)O)C1 ZINC001132848350 814194136 /nfs/dbraw/zinc/19/41/36/814194136.db2.gz GBYSEKSPLNQVMZ-NWDGAFQWSA-N 2 1 273.377 -0.818 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)c1nncn1C ZINC001132994926 814206951 /nfs/dbraw/zinc/20/69/51/814206951.db2.gz GFKUXJGVQQWTQU-NSHDSACASA-N 2 1 294.403 -0.076 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993555 814206987 /nfs/dbraw/zinc/20/69/87/814206987.db2.gz YMZFBSICJOOPQL-UHFFFAOYSA-N 2 1 279.388 -0.032 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)c1nncn1C ZINC001133042613 814212036 /nfs/dbraw/zinc/21/20/36/814212036.db2.gz LCWDLUUELJNONE-NSHDSACASA-N 2 1 282.392 -0.076 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040225 814212482 /nfs/dbraw/zinc/21/24/82/814212482.db2.gz HFPFIPKSTAILDK-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CCn1nc(C)c(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133287345 814235362 /nfs/dbraw/zinc/23/53/62/814235362.db2.gz IJISYHDXIKCRGH-UHFFFAOYSA-N 2 1 282.392 -0.236 20 0 CBADMP C[NH+](C)CCC(=O)NCC[NH2+]Cc1cnns1 ZINC001133287736 814236160 /nfs/dbraw/zinc/23/61/60/814236160.db2.gz NPXBGJZMLHWUFF-UHFFFAOYSA-N 2 1 257.363 -0.304 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001133833885 814301206 /nfs/dbraw/zinc/30/12/06/814301206.db2.gz ISEBQFAQWVKIOG-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001133823441 814301344 /nfs/dbraw/zinc/30/13/44/814301344.db2.gz GIKRTSOAQNOTAC-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001133823441 814301352 /nfs/dbraw/zinc/30/13/52/814301352.db2.gz GIKRTSOAQNOTAC-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001133830748 814301788 /nfs/dbraw/zinc/30/17/88/814301788.db2.gz DFCFIHGCUASHNN-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@H+]2CCC[C@@H]2C)C1=O ZINC001133823476 814301893 /nfs/dbraw/zinc/30/18/93/814301893.db2.gz HKGCCEXWLDGSRH-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133831945 814302321 /nfs/dbraw/zinc/30/23/21/814302321.db2.gz YHQSAQUAQGXRNH-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001133820150 814303052 /nfs/dbraw/zinc/30/30/52/814303052.db2.gz ZXJLJMKQMLMVSX-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133831944 814303453 /nfs/dbraw/zinc/30/34/53/814303453.db2.gz YHQSAQUAQGXRNH-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849831 814307010 /nfs/dbraw/zinc/30/70/10/814307010.db2.gz FCXIJIQPLFXSLX-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CCCCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845430 814307257 /nfs/dbraw/zinc/30/72/57/814307257.db2.gz FTYDBSZQDPCZKM-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1nnnn1C ZINC001133846043 814307411 /nfs/dbraw/zinc/30/74/11/814307411.db2.gz SHKFLUPKXKIJCS-MNOVXSKESA-N 2 1 295.391 -0.681 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1nnnn1C ZINC001133846043 814307418 /nfs/dbraw/zinc/30/74/18/814307418.db2.gz SHKFLUPKXKIJCS-MNOVXSKESA-N 2 1 295.391 -0.681 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001133850373 814308261 /nfs/dbraw/zinc/30/82/61/814308261.db2.gz LOSWSKMPENXIKV-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133846295 814308510 /nfs/dbraw/zinc/30/85/10/814308510.db2.gz YECCYPKNSVKIPQ-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1nncn1C ZINC001133845848 814308910 /nfs/dbraw/zinc/30/89/10/814308910.db2.gz ORPPPYCHLDCHTI-RYUDHWBXSA-N 2 1 294.403 -0.076 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1nncn1C ZINC001133845848 814308920 /nfs/dbraw/zinc/30/89/20/814308920.db2.gz ORPPPYCHLDCHTI-RYUDHWBXSA-N 2 1 294.403 -0.076 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccnn2C)C1 ZINC001133854135 814309919 /nfs/dbraw/zinc/30/99/19/814309919.db2.gz YMNLHUWSXFQZFQ-LBPRGKRZSA-N 2 1 279.388 -0.032 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001133863212 814310911 /nfs/dbraw/zinc/31/09/11/814310911.db2.gz KIEVYTZEPVEJRB-RYUDHWBXSA-N 2 1 280.376 -0.818 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C2 ZINC001133865394 814313877 /nfs/dbraw/zinc/31/38/77/814313877.db2.gz CAUQIEFHLUYABG-ONGXEEELSA-N 2 1 293.371 -0.666 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001133863958 814314159 /nfs/dbraw/zinc/31/41/59/814314159.db2.gz RZWPPHYRBIFTCB-DGCLKSJQSA-N 2 1 296.415 -0.584 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001133869273 814315327 /nfs/dbraw/zinc/31/53/27/814315327.db2.gz CHUOIIVBGGMZSS-AAEUAGOBSA-N 2 1 294.403 -0.299 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001133869273 814315335 /nfs/dbraw/zinc/31/53/35/814315335.db2.gz CHUOIIVBGGMZSS-AAEUAGOBSA-N 2 1 294.403 -0.299 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001133869713 814316685 /nfs/dbraw/zinc/31/66/85/814316685.db2.gz JYGWSQFBPOWYGF-JQWIXIFHSA-N 2 1 282.388 -0.832 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001133871236 814317225 /nfs/dbraw/zinc/31/72/25/814317225.db2.gz ZEMXMBCKULGBIA-YPMHNXCESA-N 2 1 279.388 -0.176 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001133871236 814317229 /nfs/dbraw/zinc/31/72/29/814317229.db2.gz ZEMXMBCKULGBIA-YPMHNXCESA-N 2 1 279.388 -0.176 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869732 814317402 /nfs/dbraw/zinc/31/74/02/814317402.db2.gz KEXOPWFDJKLNRY-AAEUAGOBSA-N 2 1 294.403 -0.299 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001133869712 814318939 /nfs/dbraw/zinc/31/89/39/814318939.db2.gz JYGWSQFBPOWYGF-CMPLNLGQSA-N 2 1 282.388 -0.832 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133899280 814319693 /nfs/dbraw/zinc/31/96/93/814319693.db2.gz AZHGDZHMLSBKCS-UHFFFAOYSA-N 2 1 296.419 -0.001 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133899280 814319700 /nfs/dbraw/zinc/31/97/00/814319700.db2.gz AZHGDZHMLSBKCS-UHFFFAOYSA-N 2 1 296.419 -0.001 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001133896671 814320003 /nfs/dbraw/zinc/32/00/03/814320003.db2.gz NWKZIHDLARLTQO-UHFFFAOYSA-N 2 1 294.403 -0.284 20 0 CBADMP O=C(NCC[NH2+]CCO)c1cc(C[NH+]2CCCC2)on1 ZINC001133890446 814320804 /nfs/dbraw/zinc/32/08/04/814320804.db2.gz RDGQANZGANYDCV-UHFFFAOYSA-N 2 1 282.344 -0.418 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133899289 814320993 /nfs/dbraw/zinc/32/09/93/814320993.db2.gz BIEJCWFFANOHIT-UHFFFAOYSA-N 2 1 272.393 -0.584 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001133894002 814321187 /nfs/dbraw/zinc/32/11/87/814321187.db2.gz RRXGXDZSHALQNC-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP C[N@@H+](CCc1ccccc1)CC(=O)NCC[NH2+]CC(N)=O ZINC001133917965 814324332 /nfs/dbraw/zinc/32/43/32/814324332.db2.gz NXLDRYDPJRHCAN-UHFFFAOYSA-N 2 1 292.383 -0.648 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134570477 814397115 /nfs/dbraw/zinc/39/71/15/814397115.db2.gz QNGVOLWDARNRNU-LLVKDONJSA-N 2 1 295.387 -0.153 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C)C(N)=O ZINC001134570061 814397447 /nfs/dbraw/zinc/39/74/47/814397447.db2.gz HREWMCNSWQTUKA-NSHDSACASA-N 2 1 295.387 -0.024 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134570895 814398299 /nfs/dbraw/zinc/39/82/99/814398299.db2.gz YXZWVGJBEOMUGQ-LBPRGKRZSA-N 2 1 298.387 -0.280 20 0 CBADMP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134613064 814400323 /nfs/dbraw/zinc/40/03/23/814400323.db2.gz RWMVQNPKAJSHIB-QWRGUYRKSA-N 2 1 284.404 -0.171 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001134762775 814411375 /nfs/dbraw/zinc/41/13/75/814411375.db2.gz GCTVELXUCISBFJ-CHWSQXEVSA-N 2 1 296.415 -0.156 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780773 814412459 /nfs/dbraw/zinc/41/24/59/814412459.db2.gz VXGVFADDCLSMQS-UHFFFAOYSA-N 2 1 294.403 -0.247 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135028151 814431489 /nfs/dbraw/zinc/43/14/89/814431489.db2.gz CGRNJUKDTUHEAN-QWRGUYRKSA-N 2 1 295.387 -0.190 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135095230 814437423 /nfs/dbraw/zinc/43/74/23/814437423.db2.gz BIXJDKPBISYWQE-MNOVXSKESA-N 2 1 268.361 -0.806 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135095231 814437464 /nfs/dbraw/zinc/43/74/64/814437464.db2.gz BIXJDKPBISYWQE-QWRGUYRKSA-N 2 1 268.361 -0.806 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001135305001 814460416 /nfs/dbraw/zinc/46/04/16/814460416.db2.gz FASOHUAIEWJJEG-JTQLQIEISA-N 2 1 281.360 -0.449 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+]CCO ZINC001135305149 814460437 /nfs/dbraw/zinc/46/04/37/814460437.db2.gz KPUYUUDKPIKENQ-UHFFFAOYSA-N 2 1 254.334 -0.330 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)CCCn1cc[nH+]c1C)C(N)=O ZINC001135304999 814460686 /nfs/dbraw/zinc/46/06/86/814460686.db2.gz DZHFTBFUFVGERH-LBPRGKRZSA-N 2 1 295.387 -0.059 20 0 CBADMP C[N@@H+](CC(=O)NCCC[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001159997109 815606096 /nfs/dbraw/zinc/60/60/96/815606096.db2.gz GQIUXGNSKOQXAX-GFCCVEGCSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H](O)CCC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352722 814467847 /nfs/dbraw/zinc/46/78/47/814467847.db2.gz PCQHBQYEXRNTOM-CYBMUJFWSA-N 2 1 287.404 -0.425 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CCOC1CCC1 ZINC001135352195 814468896 /nfs/dbraw/zinc/46/88/96/814468896.db2.gz CKJORYCPKFCPHA-UHFFFAOYSA-N 2 1 299.415 -0.016 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CC[C@H]1CCCO1 ZINC001135352780 814468909 /nfs/dbraw/zinc/46/89/09/814468909.db2.gz RQVMPTZMFSBESR-CQSZACIVSA-N 2 1 299.415 -0.016 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)cn1 ZINC001135350176 814469193 /nfs/dbraw/zinc/46/91/93/814469193.db2.gz PCUMHZNPYYITES-UHFFFAOYSA-N 2 1 295.387 -0.652 20 0 CBADMP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001135510616 814478748 /nfs/dbraw/zinc/47/87/48/814478748.db2.gz CHMMGHYXWNTOMF-JTQLQIEISA-N 2 1 283.380 -0.681 20 0 CBADMP CCc1nnc(C[NH2+]CCNC(=O)C[NH+](CC)CC)n1C ZINC001135508515 814479520 /nfs/dbraw/zinc/47/95/20/814479520.db2.gz PEZNTXKZNIEAQF-UHFFFAOYSA-N 2 1 296.419 -0.075 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135508634 814479740 /nfs/dbraw/zinc/47/97/40/814479740.db2.gz UJMSADZZZZPFOG-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP CN1CC[C@@H]([NH2+]CCCNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001160003502 815607994 /nfs/dbraw/zinc/60/79/94/815607994.db2.gz RPJRQGAGKPORFS-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP 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 815611441 /nfs/dbraw/zinc/61/14/41/815611441.db2.gz WYZYMXFGPOKRSG-OYQDBORRSA-N 2 1 291.395 -0.227 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160268284 815614413 /nfs/dbraw/zinc/61/44/13/815614413.db2.gz YQLQSPBKUPPCHL-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001135861671 814534115 /nfs/dbraw/zinc/53/41/15/814534115.db2.gz VGSGFVQDDSWIDS-MNOVXSKESA-N 2 1 272.393 -0.314 20 0 CBADMP COC[C@@]12CCCO[C@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001159624090 815582201 /nfs/dbraw/zinc/58/22/01/815582201.db2.gz HOBIOPZPZVSFME-OBJOEFQTSA-N 2 1 285.388 -0.293 20 0 CBADMP CN1CC[NH+](CCC(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001143236424 814764705 /nfs/dbraw/zinc/76/47/05/814764705.db2.gz FYKDNUSSLRAOMM-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+]1CCN(CCC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC001143236424 814764708 /nfs/dbraw/zinc/76/47/08/814764708.db2.gz FYKDNUSSLRAOMM-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+]1CCN(CCC(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001143236424 814764714 /nfs/dbraw/zinc/76/47/14/814764714.db2.gz FYKDNUSSLRAOMM-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+]1CCC(C(=O)NCC[NH+]2CC3(COC3)C2)CC1 ZINC001143316359 814769432 /nfs/dbraw/zinc/76/94/32/814769432.db2.gz HTGMHUFOQAXIQD-UHFFFAOYSA-N 2 1 267.373 -0.223 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146595067 814841517 /nfs/dbraw/zinc/84/15/17/814841517.db2.gz WORPSIKWQBGMCP-VXGBXAGGSA-N 2 1 286.420 -0.055 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146595037 814841482 /nfs/dbraw/zinc/84/14/82/814841482.db2.gz WORPSIKWQBGMCP-NWDGAFQWSA-N 2 1 286.420 -0.055 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146705839 814843827 /nfs/dbraw/zinc/84/38/27/814843827.db2.gz VHZWLTNKSQBYJI-UHFFFAOYSA-N 2 1 272.393 -0.440 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001146710236 814843987 /nfs/dbraw/zinc/84/39/87/814843987.db2.gz GXAYQZKRVJLRNG-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146719601 814845539 /nfs/dbraw/zinc/84/55/39/814845539.db2.gz RDXOLCWHIMXVGM-UHFFFAOYSA-N 2 1 286.420 -0.098 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001146719289 814845829 /nfs/dbraw/zinc/84/58/29/814845829.db2.gz ONAAKMKBPQKMKD-UHFFFAOYSA-N 2 1 284.404 -0.440 20 0 CBADMP CN(C(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001147876969 814921256 /nfs/dbraw/zinc/92/12/56/814921256.db2.gz ATENGUVQCPFBKT-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878148 814922036 /nfs/dbraw/zinc/92/20/36/814922036.db2.gz UICGQXJIGMJNAK-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878148 814922041 /nfs/dbraw/zinc/92/20/41/814922041.db2.gz UICGQXJIGMJNAK-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877955 814922458 /nfs/dbraw/zinc/92/24/58/814922458.db2.gz QJFYDFBZGXFBND-GFCCVEGCSA-N 2 1 284.404 -0.440 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877217 814922645 /nfs/dbraw/zinc/92/26/45/814922645.db2.gz GXHZYNNXKOATCQ-LBPRGKRZSA-N 2 1 279.388 -0.032 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877217 814922651 /nfs/dbraw/zinc/92/26/51/814922651.db2.gz GXHZYNNXKOATCQ-LBPRGKRZSA-N 2 1 279.388 -0.032 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001147877952 814922804 /nfs/dbraw/zinc/92/28/04/814922804.db2.gz QHCUMUIWXMXMRP-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001147877952 814922807 /nfs/dbraw/zinc/92/28/07/814922807.db2.gz QHCUMUIWXMXMRP-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878213 814922815 /nfs/dbraw/zinc/92/28/15/814922815.db2.gz VCSITMBETISWDK-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH+](CC)C1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001160483615 815628810 /nfs/dbraw/zinc/62/88/10/815628810.db2.gz UFZWTBGNYOTXKA-LBPRGKRZSA-N 3 1 256.394 -0.005 20 0 CBADMP [NH3+]C[C@]1(Nc2ncnc3c2C[NH2+]C3)CN2CCC1CC2 ZINC001160511517 815631274 /nfs/dbraw/zinc/63/12/74/815631274.db2.gz OANDYTPSLOYMMB-AWEZNQCLSA-N 2 1 274.372 -0.085 20 0 CBADMP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H](N)CCC[NH3+] ZINC001160539621 815634213 /nfs/dbraw/zinc/63/42/13/815634213.db2.gz YPPCIESEBKXPBS-UWVGGRQHSA-N 2 1 278.360 -0.507 20 0 CBADMP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160539237 815634665 /nfs/dbraw/zinc/63/46/65/815634665.db2.gz OFTRJCIUUHFEKV-WDEREUQCSA-N 2 1 292.387 -0.116 20 0 CBADMP Cn1ncc2c1CN(C(=O)C[NH2+]C1CC[NH2+]CC1)C2 ZINC001160564391 815638945 /nfs/dbraw/zinc/63/89/45/815638945.db2.gz GAGXVIMIMPBSSM-UHFFFAOYSA-N 2 1 263.345 -0.396 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC2(CCC(=O)O2)CC1 ZINC001160576726 815640279 /nfs/dbraw/zinc/64/02/79/815640279.db2.gz AXSPCGPDFMDLHZ-VIFPVBQESA-N 2 1 255.318 -0.639 20 0 CBADMP CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160583389 815641793 /nfs/dbraw/zinc/64/17/93/815641793.db2.gz XARGEJWNOCXLEA-UWVGGRQHSA-N 2 1 257.334 -0.393 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC[C@H](n2cncn2)C1 ZINC001160636063 815647399 /nfs/dbraw/zinc/64/73/99/815647399.db2.gz FTFISDUQGHOIMS-UWVGGRQHSA-N 2 1 252.322 -0.882 20 0 CBADMP [NH3+][C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1)c1ccsc1 ZINC001160652399 815653473 /nfs/dbraw/zinc/65/34/73/815653473.db2.gz DCKNCKSZTOHIRO-BBBLOLIVSA-N 2 1 255.343 -0.332 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH2+]C[C@@H]3F)C[C@H]2C1 ZINC001160703340 815660220 /nfs/dbraw/zinc/66/02/20/815660220.db2.gz BRKZPZGJCIYWSJ-USZNOCQGSA-N 2 1 255.337 -0.046 20 0 CBADMP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160705341 815661484 /nfs/dbraw/zinc/66/14/84/815661484.db2.gz VROBZWHROSFAFU-XQQFMLRXSA-N 2 1 296.415 -0.504 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCc2nc(C3CC3)ncc2C1 ZINC001160834645 815675963 /nfs/dbraw/zinc/67/59/63/815675963.db2.gz FKPNXKANILXJQK-NSHDSACASA-N 2 1 275.356 -0.085 20 0 CBADMP COCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160850650 815680182 /nfs/dbraw/zinc/68/01/82/815680182.db2.gz DUOYJGCDDKRRCC-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP COCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160850650 815680187 /nfs/dbraw/zinc/68/01/87/815680187.db2.gz DUOYJGCDDKRRCC-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP [NH3+]CCNCC(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001160856474 815680568 /nfs/dbraw/zinc/68/05/68/815680568.db2.gz YHFUMFOKIKYSLV-OAHLLOKOSA-N 2 1 288.395 -0.024 20 0 CBADMP [NH3+]CCNCC(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001160856474 815680574 /nfs/dbraw/zinc/68/05/74/815680574.db2.gz YHFUMFOKIKYSLV-OAHLLOKOSA-N 2 1 288.395 -0.024 20 0 CBADMP O=C1C[NH2+]CCN1CCNc1ccc2c(n1)CC[NH2+]C2 ZINC001161019417 815698512 /nfs/dbraw/zinc/69/85/12/815698512.db2.gz ORQIBDOQCILIKC-UHFFFAOYSA-N 2 1 275.356 -0.429 20 0 CBADMP C[NH+](C)Cc1ccnc(NCCN2CC[NH2+]CC2=O)c1 ZINC001161025003 815699573 /nfs/dbraw/zinc/69/95/73/815699573.db2.gz MXNFDHCUYWUZFG-UHFFFAOYSA-N 2 1 277.372 -0.013 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001161043022 815702877 /nfs/dbraw/zinc/70/28/77/815702877.db2.gz WNSUJQHGUBNBMR-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP Cn1cnnc1C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161042746 815703473 /nfs/dbraw/zinc/70/34/73/815703473.db2.gz UKZVQHODQNHWEP-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP CC(=O)N(C(C)C)C1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001161049957 815704245 /nfs/dbraw/zinc/70/42/45/815704245.db2.gz KDAJNVSRHGQJMR-ZDUSSCGKSA-N 2 1 284.404 -0.090 20 0 CBADMP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC001161053716 815704834 /nfs/dbraw/zinc/70/48/34/815704834.db2.gz XXUJKPVNSXVSDA-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)C1 ZINC001161050811 815705354 /nfs/dbraw/zinc/70/53/54/815705354.db2.gz POUBEOBEEORIAW-WOPDTQHZSA-N 2 1 255.362 -0.350 20 0 CBADMP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC001161053723 815705868 /nfs/dbraw/zinc/70/58/68/815705868.db2.gz XXUJKPVNSXVSDA-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP CN(C(=O)[C@@H]([NH3+])Cc1c[nH]cn1)C1(C)CC[NH2+]CC1 ZINC001161068918 815707535 /nfs/dbraw/zinc/70/75/35/815707535.db2.gz XYJKOJNNKVWNIZ-NSHDSACASA-N 2 1 265.361 -0.120 20 0 CBADMP CN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161065421 815707561 /nfs/dbraw/zinc/70/75/61/815707561.db2.gz RRRGPZCDVZTDCB-MJBXVCDLSA-N 2 1 297.447 -0.535 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C3(N)CC[NH2+]CC3)C[C@H]21 ZINC001161080989 815709678 /nfs/dbraw/zinc/70/96/78/815709678.db2.gz AUZHPRYCABPCQD-NWDGAFQWSA-N 2 1 266.389 -0.380 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C[C@@H]21 ZINC001161081419 815709826 /nfs/dbraw/zinc/70/98/26/815709826.db2.gz JOIWSQSUSRNVCF-WYUUTHIRSA-N 2 1 253.346 -0.881 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@@H]21 ZINC001161081146 815710278 /nfs/dbraw/zinc/71/02/78/815710278.db2.gz FWIPDHPDIRJVLP-STQMWFEESA-N 2 1 266.389 -0.556 20 0 CBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C[C@H]21 ZINC001161081191 815710354 /nfs/dbraw/zinc/71/03/54/815710354.db2.gz GWYHPIRAGCDDJB-GHMWRUEGSA-N 2 1 287.429 -0.365 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C[C@H]21 ZINC001161081191 815710358 /nfs/dbraw/zinc/71/03/58/815710358.db2.gz GWYHPIRAGCDDJB-GHMWRUEGSA-N 2 1 287.429 -0.365 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@@H]21 ZINC001161082044 815710962 /nfs/dbraw/zinc/71/09/62/815710962.db2.gz NJWKLGLBOCUEQN-BJDJZHNGSA-N 2 1 253.346 -0.738 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161088516 815712605 /nfs/dbraw/zinc/71/26/05/815712605.db2.gz BHDCTFUOJNJEHM-LBPRGKRZSA-N 2 1 296.415 -0.050 20 0 CBADMP C[NH+](C)CCC(=O)NCCC1=CC[N@H+](CC(N)=O)CC1 ZINC001161089786 815712763 /nfs/dbraw/zinc/71/27/63/815712763.db2.gz NXKALQBDNHPGQJ-UHFFFAOYSA-N 2 1 282.388 -0.438 20 0 CBADMP C[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001161089786 815712769 /nfs/dbraw/zinc/71/27/69/815712769.db2.gz NXKALQBDNHPGQJ-UHFFFAOYSA-N 2 1 282.388 -0.438 20 0 CBADMP Cc1c[nH+]c(NCCN(CC[NH3+])N(O)N=O)c(N)c1 ZINC001161092783 815714474 /nfs/dbraw/zinc/71/44/74/815714474.db2.gz ZMFQHBOVSLTYEI-UHFFFAOYSA-N 2 1 269.309 -0.068 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@H]2C1 ZINC001161174611 815724719 /nfs/dbraw/zinc/72/47/19/815724719.db2.gz ATFCGCSIVCTYKD-YVECIDJPSA-N 2 1 267.373 -0.491 20 0 CBADMP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@H]2C1 ZINC001161175274 815725058 /nfs/dbraw/zinc/72/50/58/815725058.db2.gz KCTATCUEGIZCBE-UTUOFQBUSA-N 3 1 254.378 -0.537 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@H]2C1 ZINC001161174609 815725300 /nfs/dbraw/zinc/72/53/00/815725300.db2.gz ATFCGCSIVCTYKD-RNJOBUHISA-N 2 1 267.373 -0.491 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N2CCC(C3CC[NH2+]CC3)CC2)C1 ZINC001161209925 815727996 /nfs/dbraw/zinc/72/79/96/815727996.db2.gz FHHWFBFZEJWGQI-KBPBESRZSA-N 2 1 280.416 -0.086 20 0 CBADMP CC[C@@H](C(=O)NCCC1=CC[N@H+](CC(N)=O)CC1)[NH+](C)C ZINC001161231447 815730188 /nfs/dbraw/zinc/73/01/88/815730188.db2.gz XLFOTGTVRPZASC-ZDUSSCGKSA-N 2 1 296.415 -0.050 20 0 CBADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CC(N)=O)CC1)[NH+](C)C ZINC001161231447 815730190 /nfs/dbraw/zinc/73/01/90/815730190.db2.gz XLFOTGTVRPZASC-ZDUSSCGKSA-N 2 1 296.415 -0.050 20 0 CBADMP COc1cnc(O[C@H]2CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2)nc1 ZINC001161298468 815738714 /nfs/dbraw/zinc/73/87/14/815738714.db2.gz MPGGZIGVTSEZLH-ONGXEEELSA-N 2 1 295.343 -0.859 20 0 CBADMP CCN(C(=O)[C@]1(C)COCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161329537 815741569 /nfs/dbraw/zinc/74/15/69/815741569.db2.gz FHCJKKUJCSTOAA-AAEUAGOBSA-N 2 1 255.362 -0.035 20 0 CBADMP CCN(C(=O)CC[C@H]([NH3+])C(=O)OC)[C@@H]1CCC[NH2+]C1 ZINC001161332094 815741613 /nfs/dbraw/zinc/74/16/13/815741613.db2.gz KNYIRQHMKINCKW-MNOVXSKESA-N 2 1 271.361 -0.133 20 0 CBADMP CCN(C(=O)[C@H]([NH3+])Cc1c[nH]cn1)[C@@H]1CCC[NH2+]C1 ZINC001161329189 815741770 /nfs/dbraw/zinc/74/17/70/815741770.db2.gz WHCTXJHKBMLQBN-VXGBXAGGSA-N 2 1 265.361 -0.120 20 0 CBADMP CCN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2)[C@H]1CCC[NH2+]C1 ZINC001161333155 815742854 /nfs/dbraw/zinc/74/28/54/815742854.db2.gz SAQPTJXSTQIGHS-SFTQSGBHSA-N 2 1 266.389 -0.191 20 0 CBADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[NH2+]C[C@@H]3F)C2)CC1 ZINC001161376788 815748348 /nfs/dbraw/zinc/74/83/48/815748348.db2.gz DFFHKRJFESULHD-MCIONIFRSA-N 3 1 298.406 -0.042 20 0 CBADMP Cn1cc(N)nc1C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161379746 815748772 /nfs/dbraw/zinc/74/87/72/815748772.db2.gz HPSNAEITMZXWDC-LLVKDONJSA-N 2 1 292.387 -0.360 20 0 CBADMP N[C@@]1(C(=O)N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)CCC[NH2+]C1 ZINC001161378242 815749153 /nfs/dbraw/zinc/74/91/53/815749153.db2.gz KXMLBCBSZADGNG-ZFWWWQNUSA-N 3 1 295.431 -0.909 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161414666 815753114 /nfs/dbraw/zinc/75/31/14/815753114.db2.gz YJTDMUKZASKOGS-NAKRPEOUSA-N 2 1 269.345 -0.537 20 0 CBADMP [NH3+][C@H]1CCCCN(CC(=O)N2CC[N@H+]3CC[C@@H]3C2)C1=O ZINC001161424140 815754318 /nfs/dbraw/zinc/75/43/18/815754318.db2.gz ZPTHNGCCGDFAPK-NEPJUHHUSA-N 2 1 280.372 -0.757 20 0 CBADMP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[N@H+]2CC[C@H]2C1 ZINC001161422077 815754342 /nfs/dbraw/zinc/75/43/42/815754342.db2.gz ZFRYWAIUGHNZNN-QWHCGFSZSA-N 3 1 278.400 -0.223 20 0 CBADMP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN2CC[C@H]2C1 ZINC001161422077 815754346 /nfs/dbraw/zinc/75/43/46/815754346.db2.gz ZFRYWAIUGHNZNN-QWHCGFSZSA-N 2 1 278.400 -0.223 20 0 CBADMP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423769 815754760 /nfs/dbraw/zinc/75/47/60/815754760.db2.gz MTTBRWPHXOUQSD-NWDGAFQWSA-N 3 1 254.378 -0.251 20 0 CBADMP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCN2CC[C@@H]2C1 ZINC001161423769 815754763 /nfs/dbraw/zinc/75/47/63/815754763.db2.gz MTTBRWPHXOUQSD-NWDGAFQWSA-N 2 1 254.378 -0.251 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161420014 815754770 /nfs/dbraw/zinc/75/47/70/815754770.db2.gz CEEPQWYZWIMQGX-UWVGGRQHSA-N 2 1 255.318 -0.817 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161420014 815754773 /nfs/dbraw/zinc/75/47/73/815754773.db2.gz CEEPQWYZWIMQGX-UWVGGRQHSA-N 2 1 255.318 -0.817 20 0 CBADMP C[NH+](C)CCN(C(=O)C[C@H]1COCCN1)[C@H]1CCC[NH2+]C1 ZINC001161448461 815755935 /nfs/dbraw/zinc/75/59/35/815755935.db2.gz CIBGVKQOSUYEDH-KBPBESRZSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@@H]([NH3+])c1ncc(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)s1 ZINC001161511103 815764838 /nfs/dbraw/zinc/76/48/38/815764838.db2.gz WORFSQIVAZAVNO-APPZFPTMSA-N 2 1 282.369 -0.038 20 0 CBADMP [NH3+][C@@H](C(=O)N1CCNC2(CC2)C1)C1CC[NH2+]CC1 ZINC001161551035 815772208 /nfs/dbraw/zinc/77/22/08/815772208.db2.gz ZAGSOLSJQXLKNX-LLVKDONJSA-N 2 1 252.362 -0.722 20 0 CBADMP COC(=O)c1c[nH+]ccc1N[C@@H](C)CN1CC[NH2+]CC1 ZINC001162098223 815802395 /nfs/dbraw/zinc/80/23/95/815802395.db2.gz LEKHEBVNCYATKM-NSHDSACASA-N 2 1 278.356 -0.004 20 0 CBADMP Cc1[nH+]ccn1-c1cc(N(CC[NH3+])S(C)(=O)=O)ncn1 ZINC001162124127 815803526 /nfs/dbraw/zinc/80/35/26/815803526.db2.gz OFFDZKNXFKOHGV-UHFFFAOYSA-N 2 1 296.356 -0.305 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162605819 815836416 /nfs/dbraw/zinc/83/64/16/815836416.db2.gz IMMFSCHEQQQUHR-LBPRGKRZSA-N 2 1 284.360 -0.705 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]C[C@@H](C)O ZINC001162606072 815836890 /nfs/dbraw/zinc/83/68/90/815836890.db2.gz MNQWFUPOMSPVFZ-LLVKDONJSA-N 2 1 254.334 -0.332 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162606815 815837765 /nfs/dbraw/zinc/83/77/65/815837765.db2.gz XGGICEMKECHYFI-UHFFFAOYSA-N 2 1 281.360 -0.576 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001162606098 815837780 /nfs/dbraw/zinc/83/77/80/815837780.db2.gz NACHEISHKSEHAO-SNVBAGLBSA-N 2 1 267.333 -0.839 20 0 CBADMP CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872086 815847093 /nfs/dbraw/zinc/84/70/93/815847093.db2.gz GHZMGNVQLSVEMD-MBHSVXNSSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872085 815847489 /nfs/dbraw/zinc/84/74/89/815847489.db2.gz GHZMGNVQLSVEMD-LXVYMNJGSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]([NH3+])Cc1ccc(N[C@@H]2COC[C@@H]2[NH3+])cc1 ZINC001162920812 815848630 /nfs/dbraw/zinc/84/86/30/815848630.db2.gz DUXITVCICNTOBO-RWMBFGLXSA-N 2 1 279.340 -0.133 20 0 CBADMP Cc1[nH+]ccn1-c1cncc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001163240430 815871222 /nfs/dbraw/zinc/87/12/22/815871222.db2.gz KFDOQXHFSSAGFR-HZMBPMFUSA-N 2 1 299.338 -0.039 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)Cc1ncc[nH]1 ZINC001292586553 816469617 /nfs/dbraw/zinc/46/96/17/816469617.db2.gz LZVFUMFMXIAGGT-JTQLQIEISA-N 2 1 279.344 -0.721 20 0 CBADMP CN1CCC[C@H]1C(=O)NCCNC(=O)Cc1ncc[nH]1 ZINC001292586553 816469620 /nfs/dbraw/zinc/46/96/20/816469620.db2.gz LZVFUMFMXIAGGT-JTQLQIEISA-N 2 1 279.344 -0.721 20 0 CBADMP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001300147662 816738415 /nfs/dbraw/zinc/73/84/15/816738415.db2.gz IFKVHIYMFLGLKY-TUAOUCFPSA-N 2 1 253.346 -0.642 20 0 CBADMP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001300147662 816738420 /nfs/dbraw/zinc/73/84/20/816738420.db2.gz IFKVHIYMFLGLKY-TUAOUCFPSA-N 2 1 253.346 -0.642 20 0 CBADMP CC[NH+]1CC[C@H]1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001300147662 816738426 /nfs/dbraw/zinc/73/84/26/816738426.db2.gz IFKVHIYMFLGLKY-TUAOUCFPSA-N 2 1 253.346 -0.642 20 0 CBADMP CC[NH+]1CC[C@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001300147662 816738430 /nfs/dbraw/zinc/73/84/30/816738430.db2.gz IFKVHIYMFLGLKY-TUAOUCFPSA-N 2 1 253.346 -0.642 20 0 CBADMP COCCOC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001308120462 816821526 /nfs/dbraw/zinc/82/15/26/816821526.db2.gz JXOAPCDVRUKZLX-RDBSUJKOSA-N 2 1 272.389 -0.106 20 0 CBADMP COCCOC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001308120462 816821531 /nfs/dbraw/zinc/82/15/31/816821531.db2.gz JXOAPCDVRUKZLX-RDBSUJKOSA-N 2 1 272.389 -0.106 20 0 CBADMP COCCOC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001308120462 816821537 /nfs/dbraw/zinc/82/15/37/816821537.db2.gz JXOAPCDVRUKZLX-RDBSUJKOSA-N 2 1 272.389 -0.106 20 0 CBADMP COCCOC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001308120462 816821543 /nfs/dbraw/zinc/82/15/43/816821543.db2.gz JXOAPCDVRUKZLX-RDBSUJKOSA-N 2 1 272.389 -0.106 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NCCC[N@H+](C)CCO)no1 ZINC001316832508 816887315 /nfs/dbraw/zinc/88/73/15/816887315.db2.gz IPFGZZFUNUCMKI-UHFFFAOYSA-N 2 1 284.360 -0.220 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NCCC[N@@H+](C)CCO)no1 ZINC001316832508 816887321 /nfs/dbraw/zinc/88/73/21/816887321.db2.gz IPFGZZFUNUCMKI-UHFFFAOYSA-N 2 1 284.360 -0.220 20 0 CBADMP C[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)CC(N)=O ZINC001316839487 816888956 /nfs/dbraw/zinc/88/89/56/816888956.db2.gz DKHZZGMMTFJXEF-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)Cn1ccnc1C ZINC001316866153 816895082 /nfs/dbraw/zinc/89/50/82/816895082.db2.gz XKSRIRZCZNMRCP-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1C ZINC001316866153 816895091 /nfs/dbraw/zinc/89/50/91/816895091.db2.gz XKSRIRZCZNMRCP-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC(N)=O ZINC001316909928 816901921 /nfs/dbraw/zinc/90/19/21/816901921.db2.gz WXSGJLZDVAAXLB-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)CC(N)=O ZINC001316909928 816901924 /nfs/dbraw/zinc/90/19/24/816901924.db2.gz WXSGJLZDVAAXLB-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(N)=O ZINC001316909928 816901926 /nfs/dbraw/zinc/90/19/26/816901926.db2.gz WXSGJLZDVAAXLB-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCOCCO)C1 ZINC001316939781 816904448 /nfs/dbraw/zinc/90/44/48/816904448.db2.gz ARXSKVTWVQCJMO-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCOCCO)C1 ZINC001316939781 816904455 /nfs/dbraw/zinc/90/44/55/816904455.db2.gz ARXSKVTWVQCJMO-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC001316939781 816904462 /nfs/dbraw/zinc/90/44/62/816904462.db2.gz ARXSKVTWVQCJMO-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]CCO)C2CC2)C1 ZINC001317035301 816923333 /nfs/dbraw/zinc/92/33/33/816923333.db2.gz SSSIAXZBPPNJIP-RYUDHWBXSA-N 2 1 255.362 -0.585 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001317072187 816928453 /nfs/dbraw/zinc/92/84/53/816928453.db2.gz FFISQKFVUUGFPU-JHJVBQTASA-N 2 1 285.388 -0.674 20 0 CBADMP COCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317125908 816935878 /nfs/dbraw/zinc/93/58/78/816935878.db2.gz FKGPSFSGBVNRMC-MELADBBJSA-N 2 1 299.415 -0.162 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001317253887 816951121 /nfs/dbraw/zinc/95/11/21/816951121.db2.gz SDCDLTGWJBKZQM-SCZZXKLOSA-N 2 1 267.333 -0.840 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]C[C@H](C)O ZINC001317291357 816960197 /nfs/dbraw/zinc/96/01/97/816960197.db2.gz SZNBKOADILUTCK-ZJUUUORDSA-N 2 1 254.334 -0.333 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001317377548 816968596 /nfs/dbraw/zinc/96/85/96/816968596.db2.gz DDZKRXCVZQLEFF-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCO ZINC001317393167 816971073 /nfs/dbraw/zinc/97/10/73/816971073.db2.gz NHWKTVKUEVFUOA-QJPTWQEYSA-N 2 1 257.378 -0.197 20 0 CBADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CCO ZINC001317407955 816973698 /nfs/dbraw/zinc/97/36/98/816973698.db2.gz ZUTXBIZZPSODCL-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001317468277 816989105 /nfs/dbraw/zinc/98/91/05/816989105.db2.gz UWHUZWHPNDXIOE-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001317468277 816989107 /nfs/dbraw/zinc/98/91/07/816989107.db2.gz UWHUZWHPNDXIOE-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001317468277 816989110 /nfs/dbraw/zinc/98/91/10/816989110.db2.gz UWHUZWHPNDXIOE-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001317468277 816989113 /nfs/dbraw/zinc/98/91/13/816989113.db2.gz UWHUZWHPNDXIOE-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+]2CCO)C1 ZINC001317511454 817000137 /nfs/dbraw/zinc/00/01/37/817000137.db2.gz ASXKXQBYCJCJFN-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[N@@H+]2CCO)C1 ZINC001317511454 817000141 /nfs/dbraw/zinc/00/01/41/817000141.db2.gz ASXKXQBYCJCJFN-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[N@H+]2CCO)C1 ZINC001317511454 817000144 /nfs/dbraw/zinc/00/01/44/817000144.db2.gz ASXKXQBYCJCJFN-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+]CCCO)C1 ZINC001317625812 817033747 /nfs/dbraw/zinc/03/37/47/817033747.db2.gz JPARDTDZQLTWNI-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP C[C@H](O)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317652739 817040247 /nfs/dbraw/zinc/04/02/47/817040247.db2.gz CNXSITRJOGDQSV-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP Cc1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)[nH]n1 ZINC001318419607 817108268 /nfs/dbraw/zinc/10/82/68/817108268.db2.gz ONOXFXLCKGPDKG-UHFFFAOYSA-N 2 1 265.361 -0.028 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001318422687 817108717 /nfs/dbraw/zinc/10/87/17/817108717.db2.gz AGCJZOMDPPDRGN-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)C[NH2+]C[C@H](C)O ZINC001319218247 817177288 /nfs/dbraw/zinc/17/72/88/817177288.db2.gz PIBNFJPECFHODN-JQWIXIFHSA-N 2 1 268.361 -0.086 20 0 CBADMP C[C@H](C[NH2+]CCO)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001319484698 817209846 /nfs/dbraw/zinc/20/98/46/817209846.db2.gz BDCRODWCNIDTQG-SNVBAGLBSA-N 2 1 284.360 -0.221 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCCO)C1 ZINC001319589469 817221957 /nfs/dbraw/zinc/22/19/57/817221957.db2.gz JUCAEEFCTUVXGR-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCCO)C1 ZINC001319589469 817221963 /nfs/dbraw/zinc/22/19/63/817221963.db2.gz JUCAEEFCTUVXGR-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001320204576 817291442 /nfs/dbraw/zinc/29/14/42/817291442.db2.gz YRJXZUSJWOKARL-QWHCGFSZSA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001320204576 817291447 /nfs/dbraw/zinc/29/14/47/817291447.db2.gz YRJXZUSJWOKARL-QWHCGFSZSA-N 2 1 287.404 -0.570 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CCOC)CC[N@H+]1C ZINC001320230523 817300508 /nfs/dbraw/zinc/30/05/08/817300508.db2.gz KDCRRSHCZVKEJM-FRRDWIJNSA-N 2 1 287.404 -0.570 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]CC(C)C ZINC001320251006 817305061 /nfs/dbraw/zinc/30/50/61/817305061.db2.gz VTZFLTUPOXOWSG-LBPRGKRZSA-N 2 1 268.361 -0.086 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCC2)C1 ZINC001320311571 817319820 /nfs/dbraw/zinc/31/98/20/817319820.db2.gz FCWKBMTWJGPLMW-STQMWFEESA-N 2 1 269.389 -0.195 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC2CCC2)C1 ZINC001320311570 817320139 /nfs/dbraw/zinc/32/01/39/817320139.db2.gz FCWKBMTWJGPLMW-QWHCGFSZSA-N 2 1 269.389 -0.195 20 0 CBADMP CCC[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001320313843 817321200 /nfs/dbraw/zinc/32/12/00/817321200.db2.gz OBHJKHSPQWVOEN-NSHDSACASA-N 2 1 254.334 -0.332 20 0 CBADMP CCN(CC[NH2+]CC(N)=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001320755660 817387077 /nfs/dbraw/zinc/38/70/77/817387077.db2.gz KVDURXQDTXRYMV-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)C(N)=O ZINC001321057606 817436884 /nfs/dbraw/zinc/43/68/84/817436884.db2.gz QUDQUXKDJQFHSN-WWKJKZQJSA-N 2 1 296.415 -0.005 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)C(N)=O ZINC001321057603 817436914 /nfs/dbraw/zinc/43/69/14/817436914.db2.gz QUDQUXKDJQFHSN-AIMRDXAKSA-N 2 1 296.415 -0.005 20 0 CBADMP COCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001321393690 817493769 /nfs/dbraw/zinc/49/37/69/817493769.db2.gz UJTJGDCEFMKREE-AAOUONPWSA-N 2 1 255.362 -0.154 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)C(N)=O ZINC001321418827 817496650 /nfs/dbraw/zinc/49/66/50/817496650.db2.gz JVEWGQKLGVUQOS-JQSFKPKSSA-N 2 1 296.415 -0.003 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CNC(=O)C1(C)C ZINC001253217537 825907485 /nfs/dbraw/zinc/90/74/85/825907485.db2.gz YKWDNBKMEIRUJG-WDEREUQCSA-N 2 1 257.378 -0.197 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[C@@H](O)C[NH2+]C)C1 ZINC001263160961 826745888 /nfs/dbraw/zinc/74/58/88/826745888.db2.gz SDPIWAMVIULLSX-SRVKXCTJSA-N 2 1 257.378 -0.197 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001163821798 819853535 /nfs/dbraw/zinc/85/35/35/819853535.db2.gz QFNCIBOJCDTVGF-NSHDSACASA-N 2 1 282.388 -0.558 20 0 CBADMP C[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001163822087 819853928 /nfs/dbraw/zinc/85/39/28/819853928.db2.gz RTASLVNNKIDFAS-RYUDHWBXSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H](O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163941012 819870202 /nfs/dbraw/zinc/87/02/02/819870202.db2.gz VUBXNXDQJNACHW-QWHCGFSZSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@H](O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163941012 819870213 /nfs/dbraw/zinc/87/02/13/819870213.db2.gz VUBXNXDQJNACHW-QWHCGFSZSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@H](O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163941013 819870254 /nfs/dbraw/zinc/87/02/54/819870254.db2.gz VUBXNXDQJNACHW-STQMWFEESA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@H](O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163941013 819870265 /nfs/dbraw/zinc/87/02/65/819870265.db2.gz VUBXNXDQJNACHW-STQMWFEESA-N 2 1 299.415 -0.426 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC(=O)NC)C1 ZINC001164449297 819913056 /nfs/dbraw/zinc/91/30/56/819913056.db2.gz HDJDEVKJXKZYMP-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP [NH3+]C1CCN(c2cc[nH+]c(N3CCOC[C@@H](O)C3)n2)CC1 ZINC001164511792 819917817 /nfs/dbraw/zinc/91/78/17/819917817.db2.gz NPCBRPGQESSKBC-LBPRGKRZSA-N 2 1 293.371 -0.398 20 0 CBADMP CN(c1ccnc(N2CC[NH+](C)CC2)n1)C1C[NH2+]C1 ZINC001165126146 819939416 /nfs/dbraw/zinc/93/94/16/819939416.db2.gz CHBXIKBFFWNCDN-UHFFFAOYSA-N 2 1 262.361 -0.364 20 0 CBADMP C[NH+]1CCN(c2nccc(N3C[C@H]4C[NH2+][C@H]4C3)n2)CC1 ZINC001165195147 819943467 /nfs/dbraw/zinc/94/34/67/819943467.db2.gz UNUUDAGRJKEJTE-NEPJUHHUSA-N 2 1 274.372 -0.364 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001166633679 820009036 /nfs/dbraw/zinc/00/90/36/820009036.db2.gz JIYMUSPCSDDUFO-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001166634174 820009199 /nfs/dbraw/zinc/00/91/99/820009199.db2.gz PZHMJVNTLFLRJY-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[C@@H]([NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C)C(N)=O ZINC001166626638 820009923 /nfs/dbraw/zinc/00/99/23/820009923.db2.gz IIHLMDGGQTZEEQ-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C)C(N)=O ZINC001166626164 820010625 /nfs/dbraw/zinc/01/06/25/820010625.db2.gz BVDLXVPFDQPSND-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC(=O)N(C)C)C1 ZINC001166668251 820013042 /nfs/dbraw/zinc/01/30/42/820013042.db2.gz WVKIGCFPSCRDAB-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166678136 820013196 /nfs/dbraw/zinc/01/31/96/820013196.db2.gz SWAWYXZQWSGAAD-STQMWFEESA-N 2 1 287.404 -0.569 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2cnnn2C)C1 ZINC001166667473 820013853 /nfs/dbraw/zinc/01/38/53/820013853.db2.gz BRQDTGUDKZHSQV-LBPRGKRZSA-N 2 1 294.403 -0.247 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001166694002 820016118 /nfs/dbraw/zinc/01/61/18/820016118.db2.gz UNHMXORFNSQKJM-AAEUAGOBSA-N 2 1 294.403 -0.391 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001166690571 820016301 /nfs/dbraw/zinc/01/63/01/820016301.db2.gz DFYQQELNQIGOEW-NWDGAFQWSA-N 2 1 284.404 -0.632 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nncn1C ZINC001166708103 820018049 /nfs/dbraw/zinc/01/80/49/820018049.db2.gz MCELQZBJRSAYND-RYUDHWBXSA-N 2 1 294.403 -0.391 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166708588 820018736 /nfs/dbraw/zinc/01/87/36/820018736.db2.gz UKPSFJFPOYUHJI-NWDGAFQWSA-N 2 1 284.404 -0.584 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166707958 820018793 /nfs/dbraw/zinc/01/87/93/820018793.db2.gz KSQISNQKSQAYJU-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001166708641 820019387 /nfs/dbraw/zinc/01/93/87/820019387.db2.gz VLMIJRITPMPCQC-WCQYABFASA-N 2 1 294.403 -0.391 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166708590 820019948 /nfs/dbraw/zinc/01/99/48/820019948.db2.gz UKPSFJFPOYUHJI-VXGBXAGGSA-N 2 1 284.404 -0.584 20 0 CBADMP NC(=O)[C@H]1CN(c2cc(Cl)nc3c2CC[NH2+]C3)CC[NH2+]1 ZINC001166724161 820023176 /nfs/dbraw/zinc/02/31/76/820023176.db2.gz KITWDXQIPABGJP-SNVBAGLBSA-N 2 1 295.774 -0.356 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)NCCC[NH2+]CCO)C1 ZINC001166736750 820033400 /nfs/dbraw/zinc/03/34/00/820033400.db2.gz SMQHOANNZANGQM-UHFFFAOYSA-N 2 1 257.378 -0.194 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001166765158 820034429 /nfs/dbraw/zinc/03/44/29/820034429.db2.gz UZKIMYISIJDHMW-UHFFFAOYSA-N 2 1 270.377 -0.701 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001167358679 820085850 /nfs/dbraw/zinc/08/58/50/820085850.db2.gz ZYFMMWXGPOKTER-NSHDSACASA-N 2 1 287.327 -0.659 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC(=O)NC)CC1 ZINC001167634384 820107552 /nfs/dbraw/zinc/10/75/52/820107552.db2.gz CZRVWDPSIDWEJK-UHFFFAOYSA-N 2 1 298.431 -0.050 20 0 CBADMP Cc1[nH+]ccn1-c1cc(-n2nnc(CC[NH3+])n2)ncn1 ZINC001167791009 820119135 /nfs/dbraw/zinc/11/91/35/820119135.db2.gz HVRZQJOQERJCAP-UHFFFAOYSA-N 2 1 271.288 -0.552 20 0 CBADMP c1cc(N2CC[NH2+]CC2)nc(NC[C@H]2COCCO2)[nH+]1 ZINC001168260927 820154039 /nfs/dbraw/zinc/15/40/39/820154039.db2.gz DWYKPEBQZRWBBH-NSHDSACASA-N 2 1 279.344 -0.287 20 0 CBADMP OC[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@H](O)[C@@H]1O ZINC001168356691 820158682 /nfs/dbraw/zinc/15/86/82/820158682.db2.gz SUXDWDSERAJZNG-NGFQHRJXSA-N 2 1 284.400 -0.447 20 0 CBADMP COCCC[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168416699 820162303 /nfs/dbraw/zinc/16/23/03/820162303.db2.gz BSUSHNMHJWICOZ-UHFFFAOYSA-N 2 1 287.404 -0.159 20 0 CBADMP [NH3+]Cc1ncn(-c2ccc(O[C@@H]3CCC[NH2+]C3)nn2)n1 ZINC001168749541 820171222 /nfs/dbraw/zinc/17/12/22/820171222.db2.gz BSAXIGJAPTZESO-SECBINFHSA-N 2 1 275.316 -0.353 20 0 CBADMP [NH3+]Cc1ncn(-c2ccc(O[C@H]3CCC[NH2+]C3)nn2)n1 ZINC001168749543 820173235 /nfs/dbraw/zinc/17/32/35/820173235.db2.gz BSAXIGJAPTZESO-VIFPVBQESA-N 2 1 275.316 -0.353 20 0 CBADMP [NH3+]Cc1ncn(-c2ncccc2N2CC[NH2+]CC2)n1 ZINC001168751120 820174345 /nfs/dbraw/zinc/17/43/45/820174345.db2.gz XRLMLWFSBLWYBV-UHFFFAOYSA-N 2 1 259.317 -0.469 20 0 CBADMP c1cc(N2CC[NH2+]CC2)nc(NCC2OCCO2)[nH+]1 ZINC001169059902 820202917 /nfs/dbraw/zinc/20/29/17/820202917.db2.gz HFDKTMYFWVETKS-UHFFFAOYSA-N 2 1 265.317 -0.329 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(C1C[NH2+]C1)S(C)(=O)=O)C2 ZINC001169146640 820212948 /nfs/dbraw/zinc/21/29/48/820212948.db2.gz QRKGFOHQYIPNDN-JGPRNRPPSA-N 2 1 273.402 -0.155 20 0 CBADMP CC[NH+]1CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001169238896 820216647 /nfs/dbraw/zinc/21/66/47/820216647.db2.gz NXHCJCXZMFJFRT-UHFFFAOYSA-N 3 1 274.369 -0.391 20 0 CBADMP CCN1CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001169238896 820216652 /nfs/dbraw/zinc/21/66/52/820216652.db2.gz NXHCJCXZMFJFRT-UHFFFAOYSA-N 2 1 274.369 -0.391 20 0 CBADMP C[NH+]1CCN(c2nccnc2NC[C@@H]2COCC[NH2+]2)CC1 ZINC001170043217 820275773 /nfs/dbraw/zinc/27/57/73/820275773.db2.gz VUBADSWIIBBJAJ-GFCCVEGCSA-N 2 1 292.387 -0.371 20 0 CBADMP C[NH+]1CCN(c2ncc(NC[C@H]3COCC[NH2+]3)cn2)CC1 ZINC001170042802 820276405 /nfs/dbraw/zinc/27/64/05/820276405.db2.gz DXILHFNCXNDXGT-ZDUSSCGKSA-N 2 1 292.387 -0.371 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001170222938 820283190 /nfs/dbraw/zinc/28/31/90/820283190.db2.gz OGPAYVJCGLIZPA-NSHDSACASA-N 2 1 272.393 -0.441 20 0 CBADMP OC[C@H]1C[NH2+]C[C@H]1Nc1nc(Cl)nc2c1C[NH2+]C2 ZINC001170771030 820315146 /nfs/dbraw/zinc/31/51/46/820315146.db2.gz AJZMEBSSZJURPB-HTRCEHHLSA-N 2 1 269.736 -0.275 20 0 CBADMP Cc1[nH+]ccn1-c1cc(N[C@@H]2C[NH2+]C[C@H]2CO)ncn1 ZINC001170776055 820318666 /nfs/dbraw/zinc/31/86/66/820318666.db2.gz NXQVFJCDPHXQIO-WDEREUQCSA-N 2 1 274.328 -0.037 20 0 CBADMP Cc1[nH+]ccn1-c1cncc(N[C@@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001170780728 820321683 /nfs/dbraw/zinc/32/16/83/820321683.db2.gz UVPQWBDTAIYIQO-GHMZBOCLSA-N 2 1 274.328 -0.037 20 0 CBADMP Cc1[nH+]ccn1-c1ccc(N[C@H]2C[NH2+]C[C@@H]2CO)nn1 ZINC001170779783 820321795 /nfs/dbraw/zinc/32/17/95/820321795.db2.gz QXHRRBGCEJUFHI-MNOVXSKESA-N 2 1 274.328 -0.037 20 0 CBADMP Cc1[nH+]ccn1-c1ccc(N[C@@H]2C[NH2+]C[C@@H]2CO)nn1 ZINC001170779782 820321910 /nfs/dbraw/zinc/32/19/10/820321910.db2.gz QXHRRBGCEJUFHI-GHMZBOCLSA-N 2 1 274.328 -0.037 20 0 CBADMP CC[C@]([NH3+])(CO)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001170863768 820329985 /nfs/dbraw/zinc/32/99/85/820329985.db2.gz DVTOOGHDBKWLLX-CYBMUJFWSA-N 2 1 280.376 -0.302 20 0 CBADMP CS(=O)(=O)c1ccnc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170897997 820332306 /nfs/dbraw/zinc/33/23/06/820332306.db2.gz KSAAGKCBGGDEKM-SSDOTTSWSA-N 2 1 259.335 -0.684 20 0 CBADMP N[C@H](CCC[NH3+])Nc1nccc(N2CC[NH2+]CC2)n1 ZINC001170894500 820332741 /nfs/dbraw/zinc/33/27/41/820332741.db2.gz ISOOTVXFMVPMBC-JTQLQIEISA-N 2 1 265.365 -0.678 20 0 CBADMP C[NH+]1CCN(c2nccnc2N[C@H]([NH3+])CCC[NH3+])CC1 ZINC001170898271 820333422 /nfs/dbraw/zinc/33/34/22/820333422.db2.gz ROGANJKOOYXOKV-NSHDSACASA-N 3 1 279.392 -0.336 20 0 CBADMP N[C@H](CCC[NH3+])Nc1nccnc1N1CC[NH2+]CC1 ZINC001170894559 820333695 /nfs/dbraw/zinc/33/36/95/820333695.db2.gz KQZYBHCGZBROFP-JTQLQIEISA-N 2 1 265.365 -0.678 20 0 CBADMP N[C@H](CCC[NH3+])Nc1ccnc(N2CCC([NH3+])CC2)n1 ZINC001170898900 820334520 /nfs/dbraw/zinc/33/45/20/820334520.db2.gz RQDLHFFIQAIQIR-NSHDSACASA-N 2 1 279.392 -0.160 20 0 CBADMP N[C@H](CCC[NH3+])Nc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001170899155 820334926 /nfs/dbraw/zinc/33/49/26/820334926.db2.gz IAGHUQUTCXMRPR-MNOVXSKESA-N 2 1 266.349 -0.347 20 0 CBADMP N[C@@H](CCC[NH3+])Nc1ccnc(N2CCC([NH3+])CC2)n1 ZINC001170898899 820336027 /nfs/dbraw/zinc/33/60/27/820336027.db2.gz RQDLHFFIQAIQIR-LLVKDONJSA-N 2 1 279.392 -0.160 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001171226951 820350020 /nfs/dbraw/zinc/35/00/20/820350020.db2.gz KVHMJIQBAGCVBS-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001171216360 820350422 /nfs/dbraw/zinc/35/04/22/820350422.db2.gz HDCZGNQHQLNYIW-OLZOCXBDSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@@H](O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171227296 820350569 /nfs/dbraw/zinc/35/05/69/820350569.db2.gz NIUHNJWMMIRZFW-VXGBXAGGSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001171228127 820351037 /nfs/dbraw/zinc/35/10/37/820351037.db2.gz SDDBKGCAAFYHAU-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001171216361 820351070 /nfs/dbraw/zinc/35/10/70/820351070.db2.gz HDCZGNQHQLNYIW-QWHCGFSZSA-N 2 1 296.415 -0.297 20 0 CBADMP Cn1cc(C[NH2+]CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001171216400 820351843 /nfs/dbraw/zinc/35/18/43/820351843.db2.gz HYZRBYXGWCOPDM-LBPRGKRZSA-N 2 1 294.403 -0.247 20 0 CBADMP C[NH+]1C(C)(C)CC(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1(C)C ZINC001171630080 820366801 /nfs/dbraw/zinc/36/68/01/820366801.db2.gz HWJDWEHHUJRDSF-AGIUHOORSA-N 2 1 296.463 -0.370 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001171724957 820369054 /nfs/dbraw/zinc/36/90/54/820369054.db2.gz AIXGQOLWGXJDDD-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H](C)C(=O)NC ZINC001171731709 820371312 /nfs/dbraw/zinc/37/13/12/820371312.db2.gz MMMSWVIZTNJQND-GFCCVEGCSA-N 2 1 286.420 -0.051 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCCC[NH2+]CC(N)=O ZINC001171816639 820372653 /nfs/dbraw/zinc/37/26/53/820372653.db2.gz LAMYTZGYCYOLBO-LLVKDONJSA-N 2 1 295.387 -0.059 20 0 CBADMP CCN1CC[C@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1=O ZINC001172027710 820378433 /nfs/dbraw/zinc/37/84/33/820378433.db2.gz ZGMIYUUKLREIMA-MNOVXSKESA-N 2 1 266.345 -0.071 20 0 CBADMP CN1[C@H]2COC[C@@H]1CC([NH2+]CCC[N@@H+](C)CCO)C2 ZINC001172134461 820383208 /nfs/dbraw/zinc/38/32/08/820383208.db2.gz NARRARJCOCEXBF-AGUYFDCRSA-N 2 1 271.405 -0.248 20 0 CBADMP COCCC[NH+]1CCC([N@@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001172251123 820391733 /nfs/dbraw/zinc/39/17/33/820391733.db2.gz BDLSVPFZZXYCAN-GXTWGEPZSA-N 2 1 272.389 -0.228 20 0 CBADMP COCCC[NH+]1CCC([N@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001172251123 820391741 /nfs/dbraw/zinc/39/17/41/820391741.db2.gz BDLSVPFZZXYCAN-GXTWGEPZSA-N 2 1 272.389 -0.228 20 0 CBADMP COCCC[NH+]1CCC([N@@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC001172251124 820391797 /nfs/dbraw/zinc/39/17/97/820391797.db2.gz BDLSVPFZZXYCAN-JSGCOSHPSA-N 2 1 272.389 -0.228 20 0 CBADMP COCCC[NH+]1CCC([N@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC001172251124 820391805 /nfs/dbraw/zinc/39/18/05/820391805.db2.gz BDLSVPFZZXYCAN-JSGCOSHPSA-N 2 1 272.389 -0.228 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1COC(C)(C)C1 ZINC001172271660 820392964 /nfs/dbraw/zinc/39/29/64/820392964.db2.gz ORGFLGNDQQROGM-UWVGGRQHSA-N 2 1 286.376 -0.052 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=[NH2+])NCCC[C@H](N)C(=O)OC)C1 ZINC001173351521 820399949 /nfs/dbraw/zinc/39/99/49/820399949.db2.gz BRKGRMZNCFHRMR-QWRGUYRKSA-N 2 1 285.392 -0.525 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001176058064 820437685 /nfs/dbraw/zinc/43/76/85/820437685.db2.gz SXSNARCAAISLFJ-GFCCVEGCSA-N 2 1 297.403 -0.941 20 0 CBADMP CN1CCC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001176057814 820437721 /nfs/dbraw/zinc/43/77/21/820437721.db2.gz STUDFKMERNVMCM-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP Cc1nonc1C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072553 820437787 /nfs/dbraw/zinc/43/77/87/820437787.db2.gz YAARTMHBZKXLAD-NSHDSACASA-N 2 1 281.360 -0.074 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176072569 820437904 /nfs/dbraw/zinc/43/79/04/820437904.db2.gz YTHVYWFSPKOJGH-GFCCVEGCSA-N 2 1 284.404 -0.441 20 0 CBADMP CN1CCC[C@H]([NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001176057818 820438109 /nfs/dbraw/zinc/43/81/09/820438109.db2.gz STUDFKMERNVMCM-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001176071890 820438292 /nfs/dbraw/zinc/43/82/92/820438292.db2.gz KDDYKMYMXKDHGD-CYBMUJFWSA-N 2 1 296.415 -0.440 20 0 CBADMP CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001176058093 820438513 /nfs/dbraw/zinc/43/85/13/820438513.db2.gz UKDGYMOQZJVBTM-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176058642 820438772 /nfs/dbraw/zinc/43/87/72/820438772.db2.gz ZMJPOBIGZPLAOK-CYBMUJFWSA-N 2 1 298.431 -0.194 20 0 CBADMP Cn1ncc(C[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001176058421 820438813 /nfs/dbraw/zinc/43/88/13/820438813.db2.gz XEIPJLUAXANAJT-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001176071892 820439032 /nfs/dbraw/zinc/43/90/32/820439032.db2.gz KDDYKMYMXKDHGD-ZDUSSCGKSA-N 2 1 296.415 -0.440 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H](C)O)C1 ZINC001176644061 820454941 /nfs/dbraw/zinc/45/49/41/820454941.db2.gz KTKVAVFUKDBJRU-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H](C)O)C1 ZINC001176644061 820454944 /nfs/dbraw/zinc/45/49/44/820454944.db2.gz KTKVAVFUKDBJRU-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCCOC)C1 ZINC001176637182 820455083 /nfs/dbraw/zinc/45/50/83/820455083.db2.gz ZAASIDBVKSUHPV-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCCOC)C1 ZINC001176637182 820455086 /nfs/dbraw/zinc/45/50/86/820455086.db2.gz ZAASIDBVKSUHPV-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CCOCCO ZINC001176972356 820484701 /nfs/dbraw/zinc/48/47/01/820484701.db2.gz XUNJZQOSMFQAGA-UHFFFAOYSA-N 2 1 275.393 -0.569 20 0 CBADMP COC[C@H](O)C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176972269 820485126 /nfs/dbraw/zinc/48/51/26/820485126.db2.gz UGJWPODIWBSZAE-GFCCVEGCSA-N 2 1 275.393 -0.570 20 0 CBADMP CCCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176972390 820485239 /nfs/dbraw/zinc/48/52/39/820485239.db2.gz ZCMSZVAYKZTDGG-UHFFFAOYSA-N 2 1 286.420 -0.051 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC ZINC001176986249 820485305 /nfs/dbraw/zinc/48/53/05/820485305.db2.gz IVJNGCYUDCYTBO-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001177182327 820497058 /nfs/dbraw/zinc/49/70/58/820497058.db2.gz ZEALUERAKGKTCP-SECBINFHSA-N 2 1 278.360 -0.024 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177629786 820530147 /nfs/dbraw/zinc/53/01/47/820530147.db2.gz WEWIVPQIXYOXDX-CYBMUJFWSA-N 2 1 281.356 -0.058 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177629786 820530173 /nfs/dbraw/zinc/53/01/73/820530173.db2.gz WEWIVPQIXYOXDX-CYBMUJFWSA-N 2 1 281.356 -0.058 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178356115 820577399 /nfs/dbraw/zinc/57/73/99/820577399.db2.gz IDFIBRJZRMZGSP-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178360846 820578869 /nfs/dbraw/zinc/57/88/69/820578869.db2.gz RFPNNGNPHIHYSV-XUXIUFHCSA-N 2 1 299.415 -0.333 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[N@@H+]3CC[C@@H]3C2)CC1 ZINC001178951815 820607414 /nfs/dbraw/zinc/60/74/14/820607414.db2.gz OKXWZPLCKLHQFB-GFCCVEGCSA-N 2 1 252.362 -0.850 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[N@H+]3CC[C@@H]3C2)CC1 ZINC001178951815 820607418 /nfs/dbraw/zinc/60/74/18/820607418.db2.gz OKXWZPLCKLHQFB-GFCCVEGCSA-N 2 1 252.362 -0.850 20 0 CBADMP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001178949533 820607963 /nfs/dbraw/zinc/60/79/63/820607963.db2.gz CSCZNDABUFVYLD-UKRRQHHQSA-N 2 1 280.416 -0.356 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001179587130 820635035 /nfs/dbraw/zinc/63/50/35/820635035.db2.gz WIFGLAAZBOBEEB-STQMWFEESA-N 2 1 298.431 -0.064 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124238 820650405 /nfs/dbraw/zinc/65/04/05/820650405.db2.gz GMSIVRYMPDBUFK-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180123851 820651043 /nfs/dbraw/zinc/65/10/43/820651043.db2.gz DATVSHJVMNLZKG-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001180612509 820700201 /nfs/dbraw/zinc/70/02/01/820700201.db2.gz PWVMFXUTNZIZHQ-ZDUSSCGKSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001180757922 820715958 /nfs/dbraw/zinc/71/59/58/820715958.db2.gz CFDYTEYYEWXTDX-YRGRVCCFSA-N 2 1 267.373 -0.273 20 0 CBADMP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001180757922 820715959 /nfs/dbraw/zinc/71/59/59/820715959.db2.gz CFDYTEYYEWXTDX-YRGRVCCFSA-N 2 1 267.373 -0.273 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)n2ccc(C[NH3+])cc2=N)C1 ZINC001180760692 820721457 /nfs/dbraw/zinc/72/14/57/820721457.db2.gz QVXUXOGCLZJHKY-JTQLQIEISA-N 2 1 250.302 -0.603 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)n2ccc(C[NH3+])cc2=N)C1 ZINC001180760692 820721466 /nfs/dbraw/zinc/72/14/66/820721466.db2.gz QVXUXOGCLZJHKY-JTQLQIEISA-N 2 1 250.302 -0.603 20 0 CBADMP COCCC1([NH3+])CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001180761716 820722333 /nfs/dbraw/zinc/72/23/33/820722333.db2.gz DRTFTMMLIFGLLY-LBPRGKRZSA-N 2 1 285.388 -0.327 20 0 CBADMP COCCC1([NH3+])CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001180761716 820722342 /nfs/dbraw/zinc/72/23/42/820722342.db2.gz DRTFTMMLIFGLLY-LBPRGKRZSA-N 2 1 285.388 -0.327 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@]1(C)C[NH2+]CCO ZINC001181009285 820750698 /nfs/dbraw/zinc/75/06/98/820750698.db2.gz UWJVDGQKQRNEAT-VNHYZAJKSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@]1(C)C[NH2+]CCO ZINC001181009285 820750699 /nfs/dbraw/zinc/75/06/99/820750699.db2.gz UWJVDGQKQRNEAT-VNHYZAJKSA-N 2 1 299.415 -0.617 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001181651727 820807935 /nfs/dbraw/zinc/80/79/35/820807935.db2.gz FXQJTZSTQLKTCT-CHWSQXEVSA-N 2 1 294.399 -0.450 20 0 CBADMP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183289420 820989946 /nfs/dbraw/zinc/98/99/46/820989946.db2.gz XFFJDMIUEKEEEC-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183289461 820990088 /nfs/dbraw/zinc/99/00/88/820990088.db2.gz YURGNVBOSSFAGZ-OCCSQVGLSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183411206 820993162 /nfs/dbraw/zinc/99/31/62/820993162.db2.gz YTEGARKTHGLDHM-TYNCELHUSA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)N(C)C ZINC001184868401 821091343 /nfs/dbraw/zinc/09/13/43/821091343.db2.gz RPCFZCYUZVLNAX-YNEHKIRRSA-N 2 1 296.415 -0.252 20 0 CBADMP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)N[C@H]1CC[NH2+]C1 ZINC001185235291 821103947 /nfs/dbraw/zinc/10/39/47/821103947.db2.gz NKBPPBFQGTUYQU-KBPBESRZSA-N 2 1 277.368 -0.043 20 0 CBADMP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)N[C@H]1CC[NH2+]C1 ZINC001185235291 821103953 /nfs/dbraw/zinc/10/39/53/821103953.db2.gz NKBPPBFQGTUYQU-KBPBESRZSA-N 2 1 277.368 -0.043 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001185257930 821114796 /nfs/dbraw/zinc/11/47/96/821114796.db2.gz NXSVPVCWNYPIJR-MCIONIFRSA-N 2 1 280.416 -0.215 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001185257930 821114799 /nfs/dbraw/zinc/11/47/99/821114799.db2.gz NXSVPVCWNYPIJR-MCIONIFRSA-N 2 1 280.416 -0.215 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001185257930 821114805 /nfs/dbraw/zinc/11/48/05/821114805.db2.gz NXSVPVCWNYPIJR-MCIONIFRSA-N 2 1 280.416 -0.215 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)NCC[C@H]1CCC[NH+]1C ZINC001185262387 821117014 /nfs/dbraw/zinc/11/70/14/821117014.db2.gz NKWZUDFSSTWHCG-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)NCC[C@H]1CCC[N@@H+]1C ZINC001185262387 821117017 /nfs/dbraw/zinc/11/70/17/821117017.db2.gz NKWZUDFSSTWHCG-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)NCC[C@H]1CCC[N@H+]1C ZINC001185262387 821117021 /nfs/dbraw/zinc/11/70/21/821117021.db2.gz NKWZUDFSSTWHCG-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC001185269506 821121040 /nfs/dbraw/zinc/12/10/40/821121040.db2.gz OOODKHZOQLJSTJ-NWDGAFQWSA-N 2 1 254.378 -0.700 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001185269506 821121045 /nfs/dbraw/zinc/12/10/45/821121045.db2.gz OOODKHZOQLJSTJ-NWDGAFQWSA-N 2 1 254.378 -0.700 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001185269506 821121049 /nfs/dbraw/zinc/12/10/49/821121049.db2.gz OOODKHZOQLJSTJ-NWDGAFQWSA-N 2 1 254.378 -0.700 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N[C@]1(C)CCC[NH+](C)C1 ZINC001185268593 821121665 /nfs/dbraw/zinc/12/16/65/821121665.db2.gz DTJIODRCVPSIHM-GXTWGEPZSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N[C@]1(C)CCC[N@H+](C)C1 ZINC001185268593 821121669 /nfs/dbraw/zinc/12/16/69/821121669.db2.gz DTJIODRCVPSIHM-GXTWGEPZSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001185268593 821121671 /nfs/dbraw/zinc/12/16/71/821121671.db2.gz DTJIODRCVPSIHM-GXTWGEPZSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N[C@@]1(C)CCC[NH+](C)C1 ZINC001185268595 821121920 /nfs/dbraw/zinc/12/19/20/821121920.db2.gz DTJIODRCVPSIHM-OCCSQVGLSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N[C@@]1(C)CCC[N@H+](C)C1 ZINC001185268595 821121926 /nfs/dbraw/zinc/12/19/26/821121926.db2.gz DTJIODRCVPSIHM-OCCSQVGLSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001185268595 821121927 /nfs/dbraw/zinc/12/19/27/821121927.db2.gz DTJIODRCVPSIHM-OCCSQVGLSA-N 2 1 268.405 -0.167 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185650081 821136190 /nfs/dbraw/zinc/13/61/90/821136190.db2.gz BXKXVMPBYKAJGS-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650082 821137361 /nfs/dbraw/zinc/13/73/61/821137361.db2.gz BXKXVMPBYKAJGS-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185659688 821138789 /nfs/dbraw/zinc/13/87/89/821138789.db2.gz OJWVAXVFYJOHAJ-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186038451 821153730 /nfs/dbraw/zinc/15/37/30/821153730.db2.gz QUOWFNMSBARLMN-GHMZBOCLSA-N 2 1 291.355 -0.506 20 0 CBADMP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186038451 821153736 /nfs/dbraw/zinc/15/37/36/821153736.db2.gz QUOWFNMSBARLMN-GHMZBOCLSA-N 2 1 291.355 -0.506 20 0 CBADMP COCCC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001186050549 821163352 /nfs/dbraw/zinc/16/33/52/821163352.db2.gz SOIYDFSUICEYNO-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP COCCC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC001186050549 821163362 /nfs/dbraw/zinc/16/33/62/821163362.db2.gz SOIYDFSUICEYNO-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+]1CCC[C@H]1CCNC(=O)C[NH+]1CC[C@@H](O)C1 ZINC001186055898 821164263 /nfs/dbraw/zinc/16/42/63/821164263.db2.gz VVHWGMVTUOAXKE-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)C[NH+]1CC[C@@H](O)C1 ZINC001186055898 821164265 /nfs/dbraw/zinc/16/42/65/821164265.db2.gz VVHWGMVTUOAXKE-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1CCNC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186055898 821164267 /nfs/dbraw/zinc/16/42/67/821164267.db2.gz VVHWGMVTUOAXKE-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1CCNC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186055898 821164269 /nfs/dbraw/zinc/16/42/69/821164269.db2.gz VVHWGMVTUOAXKE-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CCNC(=O)C[NH+]1CC[C@@H](O)C1 ZINC001186055900 821165960 /nfs/dbraw/zinc/16/59/60/821165960.db2.gz VVHWGMVTUOAXKE-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)C[NH+]1CC[C@@H](O)C1 ZINC001186055900 821165965 /nfs/dbraw/zinc/16/59/65/821165965.db2.gz VVHWGMVTUOAXKE-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1CCNC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186055900 821165970 /nfs/dbraw/zinc/16/59/70/821165970.db2.gz VVHWGMVTUOAXKE-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1CCNC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186055900 821165973 /nfs/dbraw/zinc/16/59/73/821165973.db2.gz VVHWGMVTUOAXKE-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@@H+]1CCC[C@H](C(=O)NCC[NH+]2CC3(COC3)C2)C1 ZINC001186363550 821179495 /nfs/dbraw/zinc/17/94/95/821179495.db2.gz CGMVPSFZLNXZGU-LBPRGKRZSA-N 2 1 267.373 -0.223 20 0 CBADMP C[N@H+]1CCC[C@H](C(=O)NCC[NH+]2CC3(COC3)C2)C1 ZINC001186363550 821179500 /nfs/dbraw/zinc/17/95/00/821179500.db2.gz CGMVPSFZLNXZGU-LBPRGKRZSA-N 2 1 267.373 -0.223 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001186453093 821182865 /nfs/dbraw/zinc/18/28/65/821182865.db2.gz WTJWEVSXZPZDPU-LLVKDONJSA-N 2 1 295.391 -0.758 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001186825020 821198405 /nfs/dbraw/zinc/19/84/05/821198405.db2.gz VSNBZWUAFPNADA-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001186825020 821198412 /nfs/dbraw/zinc/19/84/12/821198412.db2.gz VSNBZWUAFPNADA-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP C[N@@H+](CC(=O)N1CCO[C@H](C[NH2+]CCCO)C1)C1CCC1 ZINC001280595721 828364114 /nfs/dbraw/zinc/36/41/14/828364114.db2.gz OQHHQMBYFXWBAH-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CCCO)C1 ZINC001280679587 828370820 /nfs/dbraw/zinc/37/08/20/828370820.db2.gz DIZVZDRCJKNCGE-CYBMUJFWSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001280679589 828371100 /nfs/dbraw/zinc/37/11/00/828371100.db2.gz DIZVZDRCJKNCGE-ZDUSSCGKSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](NCc2nncn2C)C1 ZINC001187291264 822262934 /nfs/dbraw/zinc/26/29/34/822262934.db2.gz PAKWECJGJJPBPA-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001187291264 822262940 /nfs/dbraw/zinc/26/29/40/822262940.db2.gz PAKWECJGJJPBPA-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001187306416 822264546 /nfs/dbraw/zinc/26/45/46/822264546.db2.gz IGTHMYHXDPVPAM-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001187826066 822298432 /nfs/dbraw/zinc/29/84/32/822298432.db2.gz UHRUCLTVODJEQD-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001187983000 822314821 /nfs/dbraw/zinc/31/48/21/822314821.db2.gz VUWVGZVJFCABPF-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001187983000 822314830 /nfs/dbraw/zinc/31/48/30/822314830.db2.gz VUWVGZVJFCABPF-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CCO)C1 ZINC001281457494 828416915 /nfs/dbraw/zinc/41/69/15/828416915.db2.gz IUSZXANDHYCMEG-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP COCC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001281702329 828423466 /nfs/dbraw/zinc/42/34/66/828423466.db2.gz DTBQHXYGJOXZNE-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP COCC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001281702329 828423467 /nfs/dbraw/zinc/42/34/67/828423467.db2.gz DTBQHXYGJOXZNE-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC2CC(C[NH2+]CCCO)C2)C1 ZINC001281990188 828429816 /nfs/dbraw/zinc/42/98/16/828429816.db2.gz DYFZAEHVLQANES-BPCQOVAHSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC2CC(C[NH2+]CCCO)C2)C1 ZINC001281990188 828429819 /nfs/dbraw/zinc/42/98/19/828429819.db2.gz DYFZAEHVLQANES-BPCQOVAHSA-N 2 1 285.388 -0.816 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+](C)CCO ZINC001282477444 828448681 /nfs/dbraw/zinc/44/86/81/828448681.db2.gz JPEFHBZQHGEWQZ-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@H+](C)CCO ZINC001282477444 828448684 /nfs/dbraw/zinc/44/86/84/828448684.db2.gz JPEFHBZQHGEWQZ-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@@H+](C)CCO ZINC001282477444 828448687 /nfs/dbraw/zinc/44/86/87/828448687.db2.gz JPEFHBZQHGEWQZ-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+](C)CCO ZINC001282477441 828449085 /nfs/dbraw/zinc/44/90/85/828449085.db2.gz JPEFHBZQHGEWQZ-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@H+](C)CCO ZINC001282477441 828449087 /nfs/dbraw/zinc/44/90/87/828449087.db2.gz JPEFHBZQHGEWQZ-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@@H+](C)CCO ZINC001282477441 828449090 /nfs/dbraw/zinc/44/90/90/828449090.db2.gz JPEFHBZQHGEWQZ-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001283025084 828490181 /nfs/dbraw/zinc/49/01/81/828490181.db2.gz NHESTDMAVIXQHM-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCO)C1 ZINC001283052260 828492735 /nfs/dbraw/zinc/49/27/35/828492735.db2.gz NBRJWPXWYNSUIL-JHJVBQTASA-N 2 1 269.389 -0.053 20 0 CBADMP CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001283147820 828500200 /nfs/dbraw/zinc/50/02/00/828500200.db2.gz YIHXWJKJZOGJBA-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP COCC[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001283689931 828534697 /nfs/dbraw/zinc/53/46/97/828534697.db2.gz DDPBBFQTXCSWHT-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CCCF)CC[N@H+]1C ZINC001283759179 828544349 /nfs/dbraw/zinc/54/43/49/828544349.db2.gz FMFBVKCDKNAURG-IJLUTSLNSA-N 2 1 275.368 -0.247 20 0 CBADMP COCC[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001283806039 828551466 /nfs/dbraw/zinc/55/14/66/828551466.db2.gz URYGDPYTCAWIPK-VXGBXAGGSA-N 2 1 273.377 -0.959 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001189025608 823729948 /nfs/dbraw/zinc/72/99/48/823729948.db2.gz BECXDIYYZKTJPH-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001189054257 823730957 /nfs/dbraw/zinc/73/09/57/823730957.db2.gz BGQBSIWXOQTIBC-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCO)[C@H]1C ZINC001283925857 828561051 /nfs/dbraw/zinc/56/10/51/828561051.db2.gz UKQWGBXYCAWXOK-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP COc1cc(OC)nc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])n1 ZINC001189236414 823745759 /nfs/dbraw/zinc/74/57/59/823745759.db2.gz MGFXSQLQYBNLII-UHFFFAOYSA-N 2 1 296.331 -0.432 20 0 CBADMP C[N@@H+](CCCO)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189401324 823752691 /nfs/dbraw/zinc/75/26/91/823752691.db2.gz VBRQEJXOXRVJBA-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCCO)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189401324 823752695 /nfs/dbraw/zinc/75/26/95/823752695.db2.gz VBRQEJXOXRVJBA-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCCO)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189401324 823752698 /nfs/dbraw/zinc/75/26/98/823752698.db2.gz VBRQEJXOXRVJBA-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189391457 823753657 /nfs/dbraw/zinc/75/36/57/823753657.db2.gz YQBKBABOGBPBGD-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189391457 823753661 /nfs/dbraw/zinc/75/36/61/823753661.db2.gz YQBKBABOGBPBGD-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189391457 823753667 /nfs/dbraw/zinc/75/36/67/823753667.db2.gz YQBKBABOGBPBGD-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189391457 823753672 /nfs/dbraw/zinc/75/36/72/823753672.db2.gz YQBKBABOGBPBGD-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192006875 823938390 /nfs/dbraw/zinc/93/83/90/823938390.db2.gz KSBISMBVQADQJH-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192006875 823938399 /nfs/dbraw/zinc/93/83/99/823938399.db2.gz KSBISMBVQADQJH-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045306 823943123 /nfs/dbraw/zinc/94/31/23/823943123.db2.gz CATPIJYSUKQHCK-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1 ZINC001192169601 823952306 /nfs/dbraw/zinc/95/23/06/823952306.db2.gz BDJZZXFPYIIEBD-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CCCO)C1 ZINC001192151683 823952586 /nfs/dbraw/zinc/95/25/86/823952586.db2.gz BQUYGPYBMBYZHK-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152374 823954245 /nfs/dbraw/zinc/95/42/45/823954245.db2.gz GMRXVDNKFMFMNP-WDEREUQCSA-N 2 1 270.377 -0.655 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171839 823955115 /nfs/dbraw/zinc/95/51/15/823955115.db2.gz WUGFAMBAKZNGCA-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170112 823955662 /nfs/dbraw/zinc/95/56/62/823955662.db2.gz HJDTUJQMVVERMQ-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171836 823956821 /nfs/dbraw/zinc/95/68/21/823956821.db2.gz WUGFAMBAKZNGCA-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC(=O)N(C)C)C1)[NH+](C)C ZINC001192385028 823961700 /nfs/dbraw/zinc/96/17/00/823961700.db2.gz CJGJVUVJRPNOMF-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC(=O)N(C)C)C1)[NH+](C)C ZINC001192385028 823961708 /nfs/dbraw/zinc/96/17/08/823961708.db2.gz CJGJVUVJRPNOMF-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)N(C)C)C1 ZINC001192961425 823993906 /nfs/dbraw/zinc/99/39/06/823993906.db2.gz YCUSOMAMORSOAJ-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC)C1 ZINC001192960061 823993935 /nfs/dbraw/zinc/99/39/35/823993935.db2.gz MURAOFNNNGDNGM-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CCO)C1 ZINC001193278921 824018428 /nfs/dbraw/zinc/01/84/28/824018428.db2.gz LILYLRWHTPUMBA-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC001193278921 824018433 /nfs/dbraw/zinc/01/84/33/824018433.db2.gz LILYLRWHTPUMBA-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001193278921 824018440 /nfs/dbraw/zinc/01/84/40/824018440.db2.gz LILYLRWHTPUMBA-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H]2CCNC2=O)C1 ZINC001193293249 824019101 /nfs/dbraw/zinc/01/91/01/824019101.db2.gz ZFFZGDOUZNCVLW-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001193293249 824019109 /nfs/dbraw/zinc/01/91/09/824019109.db2.gz ZFFZGDOUZNCVLW-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001193293249 824019118 /nfs/dbraw/zinc/01/91/18/824019118.db2.gz ZFFZGDOUZNCVLW-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001193640845 824041855 /nfs/dbraw/zinc/04/18/55/824041855.db2.gz FSLKDOIYXUNQKW-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NC)C1 ZINC001193639506 824041978 /nfs/dbraw/zinc/04/19/78/824041978.db2.gz AARQOOGNVTXAJB-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)CCC1 ZINC001193754872 824044786 /nfs/dbraw/zinc/04/47/86/824044786.db2.gz CKQHTNIVRFHLGB-VXGBXAGGSA-N 2 1 287.379 -0.008 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O)C1CCC1 ZINC001193805311 824046765 /nfs/dbraw/zinc/04/67/65/824046765.db2.gz LDPJJQAHEOECOA-CHWSQXEVSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O)C1CCC1 ZINC001193805311 824046769 /nfs/dbraw/zinc/04/67/69/824046769.db2.gz LDPJJQAHEOECOA-CHWSQXEVSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)C1CCC1 ZINC001193805311 824046773 /nfs/dbraw/zinc/04/67/73/824046773.db2.gz LDPJJQAHEOECOA-CHWSQXEVSA-N 2 1 285.388 -0.986 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCOC)C2)C1 ZINC001194153527 824061371 /nfs/dbraw/zinc/06/13/71/824061371.db2.gz FPVRLGMWGWFSKU-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCOC)C2)C1 ZINC001194153527 824061379 /nfs/dbraw/zinc/06/13/79/824061379.db2.gz FPVRLGMWGWFSKU-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCOC)C2)C1 ZINC001194153527 824061381 /nfs/dbraw/zinc/06/13/81/824061381.db2.gz FPVRLGMWGWFSKU-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCOC)C2)C1 ZINC001194153527 824061388 /nfs/dbraw/zinc/06/13/88/824061388.db2.gz FPVRLGMWGWFSKU-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCOC)C[C@H]1O ZINC001194244004 824065302 /nfs/dbraw/zinc/06/53/02/824065302.db2.gz HAXAWHYGPNFREJ-VXGBXAGGSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1O ZINC001194244004 824065306 /nfs/dbraw/zinc/06/53/06/824065306.db2.gz HAXAWHYGPNFREJ-VXGBXAGGSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1O ZINC001194244004 824065310 /nfs/dbraw/zinc/06/53/10/824065310.db2.gz HAXAWHYGPNFREJ-VXGBXAGGSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O ZINC001194244004 824065314 /nfs/dbraw/zinc/06/53/14/824065314.db2.gz HAXAWHYGPNFREJ-VXGBXAGGSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001194244004 824065316 /nfs/dbraw/zinc/06/53/16/824065316.db2.gz HAXAWHYGPNFREJ-VXGBXAGGSA-N 2 1 287.404 -0.476 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@H]2CCNC2=O)C1 ZINC001194283485 824067750 /nfs/dbraw/zinc/06/77/50/824067750.db2.gz CBCIAMLWGNBDSZ-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC001194283485 824067755 /nfs/dbraw/zinc/06/77/55/824067755.db2.gz CBCIAMLWGNBDSZ-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001194283485 824067759 /nfs/dbraw/zinc/06/77/59/824067759.db2.gz CBCIAMLWGNBDSZ-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCO)C1 ZINC001194293305 824069113 /nfs/dbraw/zinc/06/91/13/824069113.db2.gz FVVSNEUEROHNEE-GFCCVEGCSA-N 2 1 257.378 -0.148 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC001194293305 824069116 /nfs/dbraw/zinc/06/91/16/824069116.db2.gz FVVSNEUEROHNEE-GFCCVEGCSA-N 2 1 257.378 -0.148 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](CCOCCO)CC1 ZINC001195268911 824107562 /nfs/dbraw/zinc/10/75/62/824107562.db2.gz VSTFCJWRSDDTOT-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](CCOCCO)CC1 ZINC001195268911 824107563 /nfs/dbraw/zinc/10/75/63/824107563.db2.gz VSTFCJWRSDDTOT-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](CCOCCO)CC1 ZINC001195268911 824107567 /nfs/dbraw/zinc/10/75/67/824107567.db2.gz VSTFCJWRSDDTOT-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](CCOCCO)CC1 ZINC001195268911 824107568 /nfs/dbraw/zinc/10/75/68/824107568.db2.gz VSTFCJWRSDDTOT-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677164 824128006 /nfs/dbraw/zinc/12/80/06/824128006.db2.gz NUTPVCWZCORIFE-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859399 824134587 /nfs/dbraw/zinc/13/45/87/824134587.db2.gz IPBDKUWXVBNPTI-QJPTWQEYSA-N 2 1 275.368 -0.153 20 0 CBADMP C[C@@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859389 824134602 /nfs/dbraw/zinc/13/46/02/824134602.db2.gz IPBDKUWXVBNPTI-IJLUTSLNSA-N 2 1 275.368 -0.153 20 0 CBADMP CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860494 824135234 /nfs/dbraw/zinc/13/52/34/824135234.db2.gz XUZNFKQZQAEAMD-QJPTWQEYSA-N 2 1 275.368 -0.153 20 0 CBADMP CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860494 824135239 /nfs/dbraw/zinc/13/52/39/824135239.db2.gz XUZNFKQZQAEAMD-QJPTWQEYSA-N 2 1 275.368 -0.153 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001196169802 824150956 /nfs/dbraw/zinc/15/09/56/824150956.db2.gz ZWWROBAOFIDKQY-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001196169802 824150959 /nfs/dbraw/zinc/15/09/59/824150959.db2.gz ZWWROBAOFIDKQY-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196953648 824173340 /nfs/dbraw/zinc/17/33/40/824173340.db2.gz GNLDSGNDGRLPRQ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953648 824173341 /nfs/dbraw/zinc/17/33/41/824173341.db2.gz GNLDSGNDGRLPRQ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001196970393 824174335 /nfs/dbraw/zinc/17/43/35/824174335.db2.gz BVPMTQRMLKGKGE-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001196970393 824174339 /nfs/dbraw/zinc/17/43/39/824174339.db2.gz BVPMTQRMLKGKGE-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970524 824174993 /nfs/dbraw/zinc/17/49/93/824174993.db2.gz JLARFHKPPDEISF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970524 824174996 /nfs/dbraw/zinc/17/49/96/824174996.db2.gz JLARFHKPPDEISF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@H]1O ZINC001197050059 824176749 /nfs/dbraw/zinc/17/67/49/824176749.db2.gz VATYVFZENNDABI-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048635 824176851 /nfs/dbraw/zinc/17/68/51/824176851.db2.gz GIQZUZQJLIXIJJ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048635 824176853 /nfs/dbraw/zinc/17/68/53/824176853.db2.gz GIQZUZQJLIXIJJ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320055 824187649 /nfs/dbraw/zinc/18/76/49/824187649.db2.gz UQVODZDBVODJJQ-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)OC)C[C@H]1O ZINC001197536097 824194355 /nfs/dbraw/zinc/19/43/55/824194355.db2.gz JEOXTYNIYARLNF-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](C)OC)C[C@H]1O ZINC001197536097 824194361 /nfs/dbraw/zinc/19/43/61/824194361.db2.gz JEOXTYNIYARLNF-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@H]1O ZINC001197536097 824194368 /nfs/dbraw/zinc/19/43/68/824194368.db2.gz JEOXTYNIYARLNF-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1O ZINC001198030357 824215114 /nfs/dbraw/zinc/21/51/14/824215114.db2.gz YNSFBCWQFGNNDT-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O ZINC001198030357 824215119 /nfs/dbraw/zinc/21/51/19/824215119.db2.gz YNSFBCWQFGNNDT-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001198030357 824215124 /nfs/dbraw/zinc/21/51/24/824215124.db2.gz YNSFBCWQFGNNDT-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[NH+](CCOCCO)CC2)C1 ZINC001198098157 824218089 /nfs/dbraw/zinc/21/80/89/824218089.db2.gz PMICYDDGQQCWPJ-CQSZACIVSA-N 2 1 299.415 -0.519 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CCC[N@H+](CCOCCO)CC2)C1 ZINC001198098157 824218092 /nfs/dbraw/zinc/21/80/92/824218092.db2.gz PMICYDDGQQCWPJ-CQSZACIVSA-N 2 1 299.415 -0.519 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CCC[N@@H+](CCOCCO)CC2)C1 ZINC001198098157 824218101 /nfs/dbraw/zinc/21/81/01/824218101.db2.gz PMICYDDGQQCWPJ-CQSZACIVSA-N 2 1 299.415 -0.519 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[N@@H+](CCO)CC1 ZINC001198283056 824223576 /nfs/dbraw/zinc/22/35/76/824223576.db2.gz ODQICVMTUDDYPW-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[NH+](CCO)CC1 ZINC001198283056 824223560 /nfs/dbraw/zinc/22/35/60/824223560.db2.gz ODQICVMTUDDYPW-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[N@H+](CCO)CC1 ZINC001198283056 824223567 /nfs/dbraw/zinc/22/35/67/824223567.db2.gz ODQICVMTUDDYPW-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@H](O)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001284854946 828624876 /nfs/dbraw/zinc/62/48/76/828624876.db2.gz SEELEAKNNVWCJZ-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198655025 824234636 /nfs/dbraw/zinc/23/46/36/824234636.db2.gz YKMQYQIVTPOCQV-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198655025 824234640 /nfs/dbraw/zinc/23/46/40/824234640.db2.gz YKMQYQIVTPOCQV-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198655025 824234646 /nfs/dbraw/zinc/23/46/46/824234646.db2.gz YKMQYQIVTPOCQV-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198698539 824236187 /nfs/dbraw/zinc/23/61/87/824236187.db2.gz BJMPDLGUKQZIRD-BFHYXJOUSA-N 2 1 299.415 -0.476 20 0 CBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001199023431 824245746 /nfs/dbraw/zinc/24/57/46/824245746.db2.gz JINDILSRCIFSEC-CHWSQXEVSA-N 2 1 285.388 -0.984 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104390 824249516 /nfs/dbraw/zinc/24/95/16/824249516.db2.gz LOGLQDNBJCPPFM-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199104390 824249523 /nfs/dbraw/zinc/24/95/23/824249523.db2.gz LOGLQDNBJCPPFM-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199104390 824249531 /nfs/dbraw/zinc/24/95/31/824249531.db2.gz LOGLQDNBJCPPFM-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199788092 824287906 /nfs/dbraw/zinc/28/79/06/824287906.db2.gz LIFHVCYJKSHQPO-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199788458 824288677 /nfs/dbraw/zinc/28/86/77/824288677.db2.gz QSBMNXYMBGAQPL-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199788457 824289131 /nfs/dbraw/zinc/28/91/31/824289131.db2.gz QSBMNXYMBGAQPL-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP CO[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199942935 824296787 /nfs/dbraw/zinc/29/67/87/824296787.db2.gz BNHSTNZBFKGGON-JSGCOSHPSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199942935 824296790 /nfs/dbraw/zinc/29/67/90/824296790.db2.gz BNHSTNZBFKGGON-JSGCOSHPSA-N 2 1 299.415 -0.068 20 0 CBADMP CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200183500 824312805 /nfs/dbraw/zinc/31/28/05/824312805.db2.gz ZDYSDPLZAJGKDO-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200183500 824312808 /nfs/dbraw/zinc/31/28/08/824312808.db2.gz ZDYSDPLZAJGKDO-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CNC(=O)C[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001201066150 824327086 /nfs/dbraw/zinc/32/70/86/824327086.db2.gz HFLKWUVENFERJL-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001201862907 824337391 /nfs/dbraw/zinc/33/73/91/824337391.db2.gz ICJOHSKZKMYREQ-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCCO)C2)C1 ZINC001202058265 824341842 /nfs/dbraw/zinc/34/18/42/824341842.db2.gz JJBXIJWFHBNKCA-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP O=C1CC[C@@H](C[NH+]2CCN(CC[NH+]3CCCC3)CC2)N1 ZINC001202878723 824353611 /nfs/dbraw/zinc/35/36/11/824353611.db2.gz RZCWHBIXJUAXFX-AWEZNQCLSA-N 2 1 280.416 -0.022 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC(=O)NC)CC1 ZINC001203202813 824359546 /nfs/dbraw/zinc/35/95/46/824359546.db2.gz AXKRBKRMGLLLOB-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@@H+](CCN2CCOCC2)CC1 ZINC001205211450 824375572 /nfs/dbraw/zinc/37/55/72/824375572.db2.gz UUSOVRUBGSEJMG-CYBMUJFWSA-N 2 1 257.378 -0.506 20 0 CBADMP Cn1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(=O)n(C)c1=O ZINC001205280628 824376634 /nfs/dbraw/zinc/37/66/34/824376634.db2.gz DSNPKFNJJQCVRM-CQSZACIVSA-N 2 1 280.372 -0.213 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cnc3n2CCNC3)CC1 ZINC001205256892 824377003 /nfs/dbraw/zinc/37/70/03/824377003.db2.gz RWOMFYGFNQXGLE-AWEZNQCLSA-N 2 1 279.388 -0.338 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CCO)CC2)O1 ZINC001205518892 824379985 /nfs/dbraw/zinc/37/99/85/824379985.db2.gz ONXITYGKDKAHGU-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CCO)CC2)O1 ZINC001205518892 824379992 /nfs/dbraw/zinc/37/99/92/824379992.db2.gz ONXITYGKDKAHGU-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](CCN2CCOCC2)C1 ZINC001205665790 824380416 /nfs/dbraw/zinc/38/04/16/824380416.db2.gz VGZAQWXNJIOEKJ-ZDUSSCGKSA-N 2 1 257.378 -0.506 20 0 CBADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205673898 824380752 /nfs/dbraw/zinc/38/07/52/824380752.db2.gz VKQANCYDNJGQKQ-CYBMUJFWSA-N 2 1 282.344 -0.128 20 0 CBADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](CC[C@H]2C[NH2+]CCO2)C1 ZINC001205665822 824381067 /nfs/dbraw/zinc/38/10/67/824381067.db2.gz VXVWEYCXTYNTLN-STQMWFEESA-N 3 1 257.378 -0.459 20 0 CBADMP NC[C@@]1(O)CCCC[N@H+](CC[C@H]2C[NH2+]CCO2)C1 ZINC001205665822 824381071 /nfs/dbraw/zinc/38/10/71/824381071.db2.gz VXVWEYCXTYNTLN-STQMWFEESA-N 2 1 257.378 -0.459 20 0 CBADMP NC[C@@]1(O)CCCC[N@@H+](CC[C@H]2C[NH2+]CCO2)C1 ZINC001205665822 824381073 /nfs/dbraw/zinc/38/10/73/824381073.db2.gz VXVWEYCXTYNTLN-STQMWFEESA-N 2 1 257.378 -0.459 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001205703583 824382472 /nfs/dbraw/zinc/38/24/72/824382472.db2.gz IIWTWGKUPYDYDG-UHFFFAOYSA-N 2 1 293.371 -0.495 20 0 CBADMP [NH3+][C@@H]1C[C@H](F)CN(Cc2cn3c(n2)C[NH2+]CC3)C1 ZINC001206414681 824399936 /nfs/dbraw/zinc/39/99/36/824399936.db2.gz ORIDWWDTJBXUFC-VHSXEESVSA-N 2 1 253.325 -0.143 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]CC(=O)NC)CC1 ZINC001206890330 824408884 /nfs/dbraw/zinc/40/88/84/824408884.db2.gz LUOWPCQURBFTDL-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206929872 824412670 /nfs/dbraw/zinc/41/26/70/824412670.db2.gz GWSDPDXJPZIWMN-UHFFFAOYSA-N 2 1 293.371 -0.495 20 0 CBADMP CNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206927765 824413440 /nfs/dbraw/zinc/41/34/40/824413440.db2.gz PEODKGZOAMNSSR-CYBMUJFWSA-N 2 1 296.415 -0.488 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C)CCN1CC1CC[NH2+]CC1 ZINC001207441417 824428147 /nfs/dbraw/zinc/42/81/47/824428147.db2.gz BBGXJEAGNPSFST-LBPRGKRZSA-N 2 1 255.362 -0.225 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C)CCN1CC1CC[NH2+]CC1 ZINC001207441417 824428149 /nfs/dbraw/zinc/42/81/49/824428149.db2.gz BBGXJEAGNPSFST-LBPRGKRZSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563299 824430391 /nfs/dbraw/zinc/43/03/91/824430391.db2.gz OEBRIRYGWMSTEM-NTZNESFSSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563299 824430397 /nfs/dbraw/zinc/43/03/97/824430397.db2.gz OEBRIRYGWMSTEM-NTZNESFSSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207563299 824430403 /nfs/dbraw/zinc/43/04/03/824430403.db2.gz OEBRIRYGWMSTEM-NTZNESFSSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207563299 824430408 /nfs/dbraw/zinc/43/04/08/824430408.db2.gz OEBRIRYGWMSTEM-NTZNESFSSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207551176 824430851 /nfs/dbraw/zinc/43/08/51/824430851.db2.gz WUWCMBUFHYRHGT-RTXFEEFZSA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563298 824431123 /nfs/dbraw/zinc/43/11/23/824431123.db2.gz OEBRIRYGWMSTEM-NQBHXWOUSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563298 824431128 /nfs/dbraw/zinc/43/11/28/824431128.db2.gz OEBRIRYGWMSTEM-NQBHXWOUSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207563298 824431130 /nfs/dbraw/zinc/43/11/30/824431130.db2.gz OEBRIRYGWMSTEM-NQBHXWOUSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207563298 824431138 /nfs/dbraw/zinc/43/11/38/824431138.db2.gz OEBRIRYGWMSTEM-NQBHXWOUSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207616947 824431946 /nfs/dbraw/zinc/43/19/46/824431946.db2.gz KKOFPTNLNQHIHM-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207616947 824431950 /nfs/dbraw/zinc/43/19/50/824431950.db2.gz KKOFPTNLNQHIHM-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207616947 824431955 /nfs/dbraw/zinc/43/19/55/824431955.db2.gz KKOFPTNLNQHIHM-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207616947 824431958 /nfs/dbraw/zinc/43/19/58/824431958.db2.gz KKOFPTNLNQHIHM-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207641405 824432896 /nfs/dbraw/zinc/43/28/96/824432896.db2.gz LJXRZUFZBDVGRZ-BZPMIXESSA-N 2 1 298.431 -0.245 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207641405 824432899 /nfs/dbraw/zinc/43/28/99/824432899.db2.gz LJXRZUFZBDVGRZ-BZPMIXESSA-N 2 1 298.431 -0.245 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207684268 824433964 /nfs/dbraw/zinc/43/39/64/824433964.db2.gz LYZANHRNYADXIW-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207688011 824434270 /nfs/dbraw/zinc/43/42/70/824434270.db2.gz KYECMCRLBMCKKT-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001207684716 824434386 /nfs/dbraw/zinc/43/43/86/824434386.db2.gz SBBUTQCQXPDVPF-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207734420 824437072 /nfs/dbraw/zinc/43/70/72/824437072.db2.gz HOWZJDFVEJHWLW-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207734420 824437076 /nfs/dbraw/zinc/43/70/76/824437076.db2.gz HOWZJDFVEJHWLW-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207734613 824437821 /nfs/dbraw/zinc/43/78/21/824437821.db2.gz KCIYJQBRGGEACP-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207734613 824437823 /nfs/dbraw/zinc/43/78/23/824437823.db2.gz KCIYJQBRGGEACP-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207734606 824437900 /nfs/dbraw/zinc/43/79/00/824437900.db2.gz KCIYJQBRGGEACP-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207734606 824437903 /nfs/dbraw/zinc/43/79/03/824437903.db2.gz KCIYJQBRGGEACP-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208431861 824451868 /nfs/dbraw/zinc/45/18/68/824451868.db2.gz AAGCWEDPDBBBTF-GRYCIOLGSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208431861 824451870 /nfs/dbraw/zinc/45/18/70/824451870.db2.gz AAGCWEDPDBBBTF-GRYCIOLGSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448229 824453623 /nfs/dbraw/zinc/45/36/23/824453623.db2.gz XTHGMNRLUVPAMK-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208494227 824454251 /nfs/dbraw/zinc/45/42/51/824454251.db2.gz LSRUHHBNZIAKHR-GRYCIOLGSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208494228 824454612 /nfs/dbraw/zinc/45/46/12/824454612.db2.gz LSRUHHBNZIAKHR-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP Cn1ncc(C[NH2+][C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001209443715 824471292 /nfs/dbraw/zinc/47/12/92/824471292.db2.gz AAECRMAXTFPQRR-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001209635696 824473695 /nfs/dbraw/zinc/47/36/95/824473695.db2.gz UTNBXUSTQSVFJF-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001209635696 824473700 /nfs/dbraw/zinc/47/37/00/824473700.db2.gz UTNBXUSTQSVFJF-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001209632143 824473752 /nfs/dbraw/zinc/47/37/52/824473752.db2.gz KGGYWLULCDOGAH-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1C ZINC001209642032 824474137 /nfs/dbraw/zinc/47/41/37/824474137.db2.gz ACSPPHVAKAIFQI-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1C ZINC001209642032 824474139 /nfs/dbraw/zinc/47/41/39/824474139.db2.gz ACSPPHVAKAIFQI-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP COC(=O)[C@@H]1CN(C)CCN1Cc1cnccc1N ZINC001209733407 824474654 /nfs/dbraw/zinc/47/46/54/824474654.db2.gz WCINQYRACZUOIY-LBPRGKRZSA-N 2 1 264.329 -0.217 20 0 CBADMP COC(=O)[C@H]1CN(C)CCN1Cc1cnccc1N ZINC001209733405 824474984 /nfs/dbraw/zinc/47/49/84/824474984.db2.gz WCINQYRACZUOIY-GFCCVEGCSA-N 2 1 264.329 -0.217 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC)C[C@H]1C ZINC001210528948 824480011 /nfs/dbraw/zinc/48/00/11/824480011.db2.gz OECQDNGPJLATLX-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC)C[C@H]1C ZINC001210528948 824480014 /nfs/dbraw/zinc/48/00/14/824480014.db2.gz OECQDNGPJLATLX-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1C ZINC001210528948 824480017 /nfs/dbraw/zinc/48/00/17/824480017.db2.gz OECQDNGPJLATLX-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1C ZINC001210528948 824480020 /nfs/dbraw/zinc/48/00/20/824480020.db2.gz OECQDNGPJLATLX-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210674443 824480454 /nfs/dbraw/zinc/48/04/54/824480454.db2.gz WHFJKNUTPNAJEN-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346289 824511143 /nfs/dbraw/zinc/51/11/43/824511143.db2.gz GIIHXDMSRREWNC-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@@H]1C[N@@H+](C(C)C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213578393 824512944 /nfs/dbraw/zinc/51/29/44/824512944.db2.gz NZSOCORORCDUOK-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213578393 824512949 /nfs/dbraw/zinc/51/29/49/824512949.db2.gz NZSOCORORCDUOK-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213859726 824516811 /nfs/dbraw/zinc/51/68/11/824516811.db2.gz IVQRLBJHAXHXAF-BFHYXJOUSA-N 2 1 299.415 -0.210 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213859726 824516814 /nfs/dbraw/zinc/51/68/14/824516814.db2.gz IVQRLBJHAXHXAF-BFHYXJOUSA-N 2 1 299.415 -0.210 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213859726 824516818 /nfs/dbraw/zinc/51/68/18/824516818.db2.gz IVQRLBJHAXHXAF-BFHYXJOUSA-N 2 1 299.415 -0.210 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929915 824517544 /nfs/dbraw/zinc/51/75/44/824517544.db2.gz RQBNLVDFRUBYKQ-VXGBXAGGSA-N 2 1 273.377 -0.866 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929915 824517549 /nfs/dbraw/zinc/51/75/49/824517549.db2.gz RQBNLVDFRUBYKQ-VXGBXAGGSA-N 2 1 273.377 -0.866 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929915 824517555 /nfs/dbraw/zinc/51/75/55/824517555.db2.gz RQBNLVDFRUBYKQ-VXGBXAGGSA-N 2 1 273.377 -0.866 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCCO ZINC001214336048 824529740 /nfs/dbraw/zinc/52/97/40/824529740.db2.gz SAOSPVXZXVDGIB-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215155828 824538171 /nfs/dbraw/zinc/53/81/71/824538171.db2.gz LWSWVUVZTLJACT-ZYHUDNBSSA-N 2 1 293.371 -0.626 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216750147 824548738 /nfs/dbraw/zinc/54/87/38/824548738.db2.gz RCXFOZHOASJILZ-GRYCIOLGSA-N 2 1 282.388 -0.879 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216750145 824548809 /nfs/dbraw/zinc/54/88/09/824548809.db2.gz RCHWBOWGAVNSKR-FRRDWIJNSA-N 2 1 296.415 -0.537 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCO)C2)C1 ZINC001216801562 824549092 /nfs/dbraw/zinc/54/90/92/824549092.db2.gz OIODJKQUHXLRDO-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCO)C2)C1 ZINC001216801562 824549095 /nfs/dbraw/zinc/54/90/95/824549095.db2.gz OIODJKQUHXLRDO-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001216852147 824550107 /nfs/dbraw/zinc/55/01/07/824550107.db2.gz RDDYQADKYCBXJV-VXGBXAGGSA-N 2 1 257.378 -0.245 20 0 CBADMP CCOC(=O)c1cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])n[nH]1 ZINC001218511219 824577376 /nfs/dbraw/zinc/57/73/76/824577376.db2.gz SKKACTIWCJZIIM-ZETCQYMHSA-N 2 1 269.305 -0.409 20 0 CBADMP Nc1cn(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)nc1N ZINC001218628065 824608841 /nfs/dbraw/zinc/60/88/41/824608841.db2.gz YGFKXMBJQNISHA-SECBINFHSA-N 2 1 264.333 -0.438 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640161 824612794 /nfs/dbraw/zinc/61/27/94/824612794.db2.gz KFAIHEJSJZRVJU-LLVKDONJSA-N 2 1 275.316 -0.741 20 0 CBADMP Cc1nc2nc[nH]c2c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218700377 824623351 /nfs/dbraw/zinc/62/33/51/824623351.db2.gz XQPUTLMISZGILU-QMMMGPOBSA-N 2 1 287.327 -0.591 20 0 CBADMP Cc1nc2nc[nH]c2c(NC(=O)[C@@H]([NH3+])CCC[NH3+])n1 ZINC001218699326 824623376 /nfs/dbraw/zinc/62/33/76/824623376.db2.gz HRRIKROHHILNDG-ZETCQYMHSA-N 2 1 263.305 -0.334 20 0 CBADMP Cc1nc2nc[nH]c2c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])n1 ZINC001218699977 824623953 /nfs/dbraw/zinc/62/39/53/824623953.db2.gz SUNUZUFHVOGVIH-ZETCQYMHSA-N 2 1 295.372 -0.381 20 0 CBADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001218740782 824630478 /nfs/dbraw/zinc/63/04/78/824630478.db2.gz GAGTVXZWWSVMPD-QWRGUYRKSA-N 2 1 273.296 -0.071 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@H](C)O)C[C@@H]21 ZINC001219006700 824652392 /nfs/dbraw/zinc/65/23/92/824652392.db2.gz SIBCIEYATAWNJH-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@H](C)O)C[C@@H]21 ZINC001219006700 824652394 /nfs/dbraw/zinc/65/23/94/824652394.db2.gz SIBCIEYATAWNJH-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]21 ZINC001219006700 824652396 /nfs/dbraw/zinc/65/23/96/824652396.db2.gz SIBCIEYATAWNJH-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]21 ZINC001219006700 824652398 /nfs/dbraw/zinc/65/23/98/824652398.db2.gz SIBCIEYATAWNJH-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219349562 824694965 /nfs/dbraw/zinc/69/49/65/824694965.db2.gz OTTOGRDWFMOVLQ-CQSZACIVSA-N 2 1 291.399 -0.166 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCN2C)C[NH2+]1 ZINC001219586843 824736336 /nfs/dbraw/zinc/73/63/36/824736336.db2.gz GSTIGURDDSJGNS-SDDRHHMPSA-N 2 1 254.378 -0.511 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C[NH2+]1 ZINC001219585188 824736364 /nfs/dbraw/zinc/73/63/64/824736364.db2.gz YXFJNZNJMMCWFD-ONYIWYLUSA-N 2 1 252.362 -0.535 20 0 CBADMP C[C@H]([NH3+])c1ncc(C(=O)N(CC[NH3+])S(C)(=O)=O)s1 ZINC001219595836 824738986 /nfs/dbraw/zinc/73/89/86/824738986.db2.gz SCKMMDUUYVOSEF-LURJTMIESA-N 2 1 292.386 -0.477 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@H](O)c1ccco1 ZINC001219604223 824849572 /nfs/dbraw/zinc/84/95/72/824849572.db2.gz KYZVFHLWJORJMR-NSHDSACASA-N 2 1 267.329 -0.229 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219608088 824853478 /nfs/dbraw/zinc/85/34/78/824853478.db2.gz OOMGWLOMNBQYDF-PSASIEDQSA-N 2 1 291.277 -0.310 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC001219614319 824854359 /nfs/dbraw/zinc/85/43/59/824854359.db2.gz WZXDHNKKBUNVSU-ZKWXMUAHSA-N 2 1 266.267 -0.914 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2C[NH2+]Cc3ccnn32)C1 ZINC001219638051 824867133 /nfs/dbraw/zinc/86/71/33/824867133.db2.gz IZUQXUUWIYCFBF-DMDPSCGWSA-N 2 1 277.372 -0.111 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219641079 824870290 /nfs/dbraw/zinc/87/02/90/824870290.db2.gz DZYQRQKHFFTEJD-AXFHLTTASA-N 2 1 271.361 -0.371 20 0 CBADMP C[C@H]1C[NH2+]C[C@H](CNC(=O)CCN2CC[NH+](C)CC2)C1 ZINC001219641607 824870678 /nfs/dbraw/zinc/87/06/78/824870678.db2.gz JIIRFYUZFORWTB-ZIAGYGMSSA-N 2 1 282.432 -0.014 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219655954 824875317 /nfs/dbraw/zinc/87/53/17/824875317.db2.gz CVQQXMLRPKFREA-SYQHCUMBSA-N 2 1 299.415 -0.476 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219655954 824875324 /nfs/dbraw/zinc/87/53/24/824875324.db2.gz CVQQXMLRPKFREA-SYQHCUMBSA-N 2 1 299.415 -0.476 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219655954 824875327 /nfs/dbraw/zinc/87/53/27/824875327.db2.gz CVQQXMLRPKFREA-SYQHCUMBSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C[NH2+]1 ZINC001219684492 824878993 /nfs/dbraw/zinc/87/89/93/824878993.db2.gz OKNVPYVTCDYIIB-KKZNHRDASA-N 2 1 251.334 -0.606 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743301 824889729 /nfs/dbraw/zinc/88/97/29/824889729.db2.gz BMRQLNGFUOBDTC-MNOVXSKESA-N 3 1 270.377 -0.920 20 0 CBADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)C1CC2(C[NH2+]C2)C1 ZINC001219764760 824891796 /nfs/dbraw/zinc/89/17/96/824891796.db2.gz LDINBSUPVNCYPZ-YPMHNXCESA-N 2 1 278.400 -0.604 20 0 CBADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)C1CC2(C[NH2+]C2)C1 ZINC001219764760 824891801 /nfs/dbraw/zinc/89/18/01/824891801.db2.gz LDINBSUPVNCYPZ-YPMHNXCESA-N 2 1 278.400 -0.604 20 0 CBADMP O=C(CC1CC[NH2+]CC1)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765193 824892094 /nfs/dbraw/zinc/89/20/94/824892094.db2.gz WYRHHMRLLRTYRQ-KGLIPLIRSA-N 2 1 280.416 -0.214 20 0 CBADMP O=C(CC1CC[NH2+]CC1)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765193 824892103 /nfs/dbraw/zinc/89/21/03/824892103.db2.gz WYRHHMRLLRTYRQ-KGLIPLIRSA-N 2 1 280.416 -0.214 20 0 CBADMP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798923 824895633 /nfs/dbraw/zinc/89/56/33/824895633.db2.gz YHXNPVRIOMZAKT-XQQFMLRXSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802458 824895737 /nfs/dbraw/zinc/89/57/37/824895737.db2.gz PASIFUMQWNYQAZ-UTUOFQBUSA-N 2 1 285.388 -0.987 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804287 824896073 /nfs/dbraw/zinc/89/60/73/824896073.db2.gz RGLVKSGRXWGINH-HZSPNIEDSA-N 2 1 299.415 -0.476 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800939 824896160 /nfs/dbraw/zinc/89/61/60/824896160.db2.gz PDUXSADUYVEPDP-ZYHUDNBSSA-N 2 1 293.371 -0.836 20 0 CBADMP COC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815810 824897651 /nfs/dbraw/zinc/89/76/51/824897651.db2.gz KWRBWOVMRMTUAL-YUTCNCBUSA-N 2 1 299.415 -0.333 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001219830287 824899366 /nfs/dbraw/zinc/89/93/66/824899366.db2.gz UMUOEISIBCONQK-MCIONIFRSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001219830287 824899373 /nfs/dbraw/zinc/89/93/73/824899373.db2.gz UMUOEISIBCONQK-MCIONIFRSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219830287 824899382 /nfs/dbraw/zinc/89/93/82/824899382.db2.gz UMUOEISIBCONQK-MCIONIFRSA-N 2 1 299.415 -0.596 20 0 CBADMP O=C(N[C@@H]1CNCc2ccsc21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219823093 824899570 /nfs/dbraw/zinc/89/95/70/824899570.db2.gz KJSGHTSKRIMRHB-WDEREUQCSA-N 2 1 292.408 -0.182 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001219896794 824912138 /nfs/dbraw/zinc/91/21/38/824912138.db2.gz JNFVAQLQRRRMDC-NEPJUHHUSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001219896794 824912143 /nfs/dbraw/zinc/91/21/43/824912143.db2.gz JNFVAQLQRRRMDC-NEPJUHHUSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001219896794 824912148 /nfs/dbraw/zinc/91/21/48/824912148.db2.gz JNFVAQLQRRRMDC-NEPJUHHUSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219896794 824912153 /nfs/dbraw/zinc/91/21/53/824912153.db2.gz JNFVAQLQRRRMDC-NEPJUHHUSA-N 2 1 287.404 -0.740 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219934813 824916031 /nfs/dbraw/zinc/91/60/31/824916031.db2.gz OEBSLADQKXZOMU-JTQLQIEISA-N 3 1 271.390 -0.673 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219934971 824917121 /nfs/dbraw/zinc/91/71/21/824917121.db2.gz WDEGQGXJBJQHRQ-DGCLKSJQSA-N 2 1 263.345 -0.741 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001219980993 824929681 /nfs/dbraw/zinc/92/96/81/824929681.db2.gz SYLYNGDJAUJNER-JSGCOSHPSA-N 2 1 268.405 -0.085 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220022761 824936557 /nfs/dbraw/zinc/93/65/57/824936557.db2.gz KPCARBFGHRNZAZ-YUMQZZPRSA-N 2 1 298.368 -0.624 20 0 CBADMP Cc1ncc(C[NH3+])c(=N)n1C(=O)c1cnc(C[NH3+])s1 ZINC001220044826 824941933 /nfs/dbraw/zinc/94/19/33/824941933.db2.gz ANTFOQQZUZDPOZ-UHFFFAOYSA-N 2 1 278.341 -0.267 20 0 CBADMP O=C(NCc1[nH]nc2ccccc21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220045436 824943327 /nfs/dbraw/zinc/94/33/27/824943327.db2.gz ZHWRJJBMWDONOR-NSHDSACASA-N 2 1 285.351 -0.012 20 0 CBADMP C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001220052869 824945434 /nfs/dbraw/zinc/94/54/34/824945434.db2.gz HMIWNKHUGKWEAB-GFCCVEGCSA-N 3 1 268.405 -0.214 20 0 CBADMP C[NH2+]CCNC(=O)[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001220051310 824945902 /nfs/dbraw/zinc/94/59/02/824945902.db2.gz UKXWGFPOZFOFMF-KGLIPLIRSA-N 2 1 277.368 -0.043 20 0 CBADMP C[NH2+]CCNC(=O)[C@@H]1[C@H](O)CC[N@H+]1Cc1ccccc1 ZINC001220051310 824945908 /nfs/dbraw/zinc/94/59/08/824945908.db2.gz UKXWGFPOZFOFMF-KGLIPLIRSA-N 2 1 277.368 -0.043 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220071488 824951672 /nfs/dbraw/zinc/95/16/72/824951672.db2.gz GCCWEYPMXFYKKV-ZDUSSCGKSA-N 3 1 277.372 -0.085 20 0 CBADMP NC(=[NH2+])N(C(=O)[C@H]1[NH2+]CC[C@H]1O)c1ccccc1F ZINC001220106236 824956605 /nfs/dbraw/zinc/95/66/05/824956605.db2.gz GIDCQDULZCYDAX-ZJUUUORDSA-N 2 1 266.276 -0.225 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC(=N)SCC[NH3+] ZINC001220106212 824957203 /nfs/dbraw/zinc/95/72/03/824957203.db2.gz FNHGDJBCDWSMSN-LURJTMIESA-N 2 1 262.335 -0.990 20 0 CBADMP NC[C@H]([NH3+])c1ccc(C(=O)NC2(C[NH3+])COC2)cc1 ZINC001220156644 824972563 /nfs/dbraw/zinc/97/25/63/824972563.db2.gz FBMLTSKTANAOMV-NSHDSACASA-N 2 1 264.329 -0.897 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220156802 824972892 /nfs/dbraw/zinc/97/28/92/824972892.db2.gz LDHBZMGLGUFSFC-QWRGUYRKSA-N 3 1 252.362 -0.994 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220156803 824973531 /nfs/dbraw/zinc/97/35/31/824973531.db2.gz LDHBZMGLGUFSFC-WDEREUQCSA-N 3 1 252.362 -0.994 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001220161581 824974376 /nfs/dbraw/zinc/97/43/76/824974376.db2.gz DHKMWSDXOKYIHI-NMKXLXIOSA-N 2 1 266.389 -0.286 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001220161584 824974904 /nfs/dbraw/zinc/97/49/04/824974904.db2.gz DHKMWSDXOKYIHI-OWTLIXCDSA-N 2 1 266.389 -0.286 20 0 CBADMP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197384 824985294 /nfs/dbraw/zinc/98/52/94/824985294.db2.gz ANFPCJHIIKNHMM-ZDUSSCGKSA-N 3 1 298.431 -0.186 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220252387 824996010 /nfs/dbraw/zinc/99/60/10/824996010.db2.gz YXJVSHBLVXBNLU-FHGNATFXSA-N 2 1 275.418 -0.317 20 0 CBADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277172 825002450 /nfs/dbraw/zinc/00/24/50/825002450.db2.gz TZEXBGFUPKRZPY-UPJWGTAASA-N 2 1 287.404 -0.740 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001220276670 825002672 /nfs/dbraw/zinc/00/26/72/825002672.db2.gz HJHBZWIIPHSXFX-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1cnc[nH]1 ZINC001220291038 825007503 /nfs/dbraw/zinc/00/75/03/825007503.db2.gz KNWRVIMVFZWCIY-OLZOCXBDSA-N 2 1 297.403 -0.512 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[NH+](C)C ZINC001220290184 825008115 /nfs/dbraw/zinc/00/81/15/825008115.db2.gz QHMONWKOGXAHNH-FRRDWIJNSA-N 2 1 287.404 -0.884 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220289937 825008354 /nfs/dbraw/zinc/00/83/54/825008354.db2.gz JBICIQOSTMOCJF-GRYCIOLGSA-N 2 1 257.378 -0.246 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)CC1 ZINC001220304098 825009783 /nfs/dbraw/zinc/00/97/83/825009783.db2.gz PAZGQIKUNXRHCE-STQMWFEESA-N 2 1 286.395 -0.170 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316894 825013446 /nfs/dbraw/zinc/01/34/46/825013446.db2.gz UMJBYDSKNMAEMN-SCRDCRAPSA-N 2 1 293.371 -0.693 20 0 CBADMP COC(=O)[C@H]1CC[C@@H](NC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001220406489 825033233 /nfs/dbraw/zinc/03/32/33/825033233.db2.gz RJEVUUMNGHDVQL-CMPLNLGQSA-N 2 1 283.372 -0.214 20 0 CBADMP [NH3+][C@H](C(=O)NC[C@@H]1COCC[NH2+]1)c1ccsc1 ZINC001220429725 825037463 /nfs/dbraw/zinc/03/74/63/825037463.db2.gz YIUZWZDUKMCOAN-ZJUUUORDSA-N 2 1 255.343 -0.148 20 0 CBADMP [NH3+]Cc1ncc(C(=O)NC[C@@H]2COCC[NH2+]2)s1 ZINC001220432040 825038036 /nfs/dbraw/zinc/03/80/36/825038036.db2.gz WLHXFTZBWBLNSD-SSDOTTSWSA-N 2 1 256.331 -0.680 20 0 CBADMP O=C(NC1CC[NH+](CCF)CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220435354 825038061 /nfs/dbraw/zinc/03/80/61/825038061.db2.gz HFXMJNUJUPLDFE-GFCCVEGCSA-N 3 1 284.379 -0.655 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NCC1([NH3+])CCCC1 ZINC001220494107 825050032 /nfs/dbraw/zinc/05/00/32/825050032.db2.gz DWHJBGNSFRAVPO-VIFPVBQESA-N 2 1 257.334 -0.345 20 0 CBADMP C[C@@H]([NH3+])c1ncc(C(=O)NCCN(C)CC[NH3+])s1 ZINC001220517534 825054144 /nfs/dbraw/zinc/05/41/44/825054144.db2.gz PKASSESTVGAHMS-MRVPVSSYSA-N 2 1 271.390 -0.217 20 0 CBADMP CCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])[C@@H](C)CC ZINC001220666469 825082880 /nfs/dbraw/zinc/08/28/80/825082880.db2.gz YIZNUZIKJNRUEW-LPEHRKFASA-N 2 1 259.350 -0.244 20 0 CBADMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571471 825066833 /nfs/dbraw/zinc/06/68/33/825066833.db2.gz RYKDTZZOFYWJPQ-NEPJUHHUSA-N 2 1 267.373 -0.177 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220585158 825070482 /nfs/dbraw/zinc/07/04/82/825070482.db2.gz ZKMXQEBAVMRLFD-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)(C)NC(=O)CCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220708830 825089877 /nfs/dbraw/zinc/08/98/77/825089877.db2.gz IUJDABPLDWUXLP-UHFFFAOYSA-N 2 1 284.404 -0.251 20 0 CBADMP CC1(C)[C@H](NC(=O)C[NH2+]C2CC[NH2+]CC2)C[C@@H]1O ZINC001220765675 825100084 /nfs/dbraw/zinc/10/00/84/825100084.db2.gz CKRXUPQPBLODCV-MNOVXSKESA-N 2 1 255.362 -0.396 20 0 CBADMP [NH3+]CCCNCC(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220779197 825101482 /nfs/dbraw/zinc/10/14/82/825101482.db2.gz OQDFPCAGOLGMGQ-OLZOCXBDSA-N 2 1 254.378 -0.155 20 0 CBADMP O=C(NC[C@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1COCC[NH2+]1 ZINC001220791431 825102052 /nfs/dbraw/zinc/10/20/52/825102052.db2.gz YBFNAPITYGJEIM-RDBSUJKOSA-N 2 1 290.367 -0.163 20 0 CBADMP [NH3+]CCCNCC(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220791085 825102161 /nfs/dbraw/zinc/10/21/61/825102161.db2.gz WTQNMOOSVXHCNT-HIFRSBDPSA-N 2 1 291.399 -0.213 20 0 CBADMP [NH3+]CCCNCC(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220791088 825102763 /nfs/dbraw/zinc/10/27/63/825102763.db2.gz WTQNMOOSVXHCNT-ZFWWWQNUSA-N 2 1 291.399 -0.213 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1COC[NH2+]1 ZINC001220799577 825103352 /nfs/dbraw/zinc/10/33/52/825103352.db2.gz CVIREEGSIWBTJK-FXQIFTODSA-N 2 1 267.251 -0.411 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@@H]1O ZINC001220825664 825107321 /nfs/dbraw/zinc/10/73/21/825107321.db2.gz ABYKFHKXCCECDD-UPJWGTAASA-N 2 1 287.404 -0.740 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001220825664 825107322 /nfs/dbraw/zinc/10/73/22/825107322.db2.gz ABYKFHKXCCECDD-UPJWGTAASA-N 2 1 287.404 -0.740 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001220825664 825107323 /nfs/dbraw/zinc/10/73/23/825107323.db2.gz ABYKFHKXCCECDD-UPJWGTAASA-N 2 1 287.404 -0.740 20 0 CBADMP CC1(C)C[NH2+][C@](C)(C(=O)NCCN2CC[NH2+]CC2=O)C1 ZINC001220872277 825117633 /nfs/dbraw/zinc/11/76/33/825117633.db2.gz RRLMURGCQHRFNO-AWEZNQCLSA-N 2 1 282.388 -0.687 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]1CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220881338 825118390 /nfs/dbraw/zinc/11/83/90/825118390.db2.gz ITJXYSHLAFAXPT-MWLCHTKSSA-N 2 1 269.345 -0.747 20 0 CBADMP [NH3+]CC1(CC(=O)NCCN2CC[NH2+]CC2=O)CCCCC1 ZINC001220875163 825118720 /nfs/dbraw/zinc/11/87/20/825118720.db2.gz VOIZJEXUHCDPLG-UHFFFAOYSA-N 2 1 296.415 -0.166 20 0 CBADMP CCCCC[C@H]([NH2+]C)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220875216 825118790 /nfs/dbraw/zinc/11/87/90/825118790.db2.gz XMUSGLFVWGPNOT-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP [NH3+][C@@H](CC1CCCC1)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220875209 825118901 /nfs/dbraw/zinc/11/89/01/825118901.db2.gz XFUYFSOYDOXXCM-LBPRGKRZSA-N 2 1 282.388 -0.558 20 0 CBADMP NC[C@@H]([NH3+])c1ccc(C(=O)NCCO[C@H]2CC[NH2+]C2)cc1 ZINC001220939827 825127896 /nfs/dbraw/zinc/12/78/96/825127896.db2.gz XNRRWBYINGBTNM-UONOGXRCSA-N 2 1 292.383 -0.247 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220978198 825131664 /nfs/dbraw/zinc/13/16/64/825131664.db2.gz RBROUQHGPQMJHL-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220978198 825131665 /nfs/dbraw/zinc/13/16/65/825131665.db2.gz RBROUQHGPQMJHL-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220978198 825131666 /nfs/dbraw/zinc/13/16/66/825131666.db2.gz RBROUQHGPQMJHL-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978133 825131778 /nfs/dbraw/zinc/13/17/78/825131778.db2.gz NUQYISBKMBRGHS-MJBXVCDLSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978133 825131781 /nfs/dbraw/zinc/13/17/81/825131781.db2.gz NUQYISBKMBRGHS-MJBXVCDLSA-N 2 1 299.415 -0.596 20 0 CBADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220977822 825131891 /nfs/dbraw/zinc/13/18/91/825131891.db2.gz DDDOZZMDRJSGKB-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220977822 825131898 /nfs/dbraw/zinc/13/18/98/825131898.db2.gz DDDOZZMDRJSGKB-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220977822 825131905 /nfs/dbraw/zinc/13/19/05/825131905.db2.gz DDDOZZMDRJSGKB-MCIONIFRSA-N 2 1 299.415 -0.476 20 0 CBADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976438 825132636 /nfs/dbraw/zinc/13/26/36/825132636.db2.gz ZHKPMVDEESNCCV-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976438 825132639 /nfs/dbraw/zinc/13/26/39/825132639.db2.gz ZHKPMVDEESNCCV-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976438 825132645 /nfs/dbraw/zinc/13/26/45/825132645.db2.gz ZHKPMVDEESNCCV-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001221056462 825139788 /nfs/dbraw/zinc/13/97/88/825139788.db2.gz TYOHTNGWOXVUCV-IHRRRGAJSA-N 2 1 298.431 -0.188 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073085 825141547 /nfs/dbraw/zinc/14/15/47/825141547.db2.gz FSJOJYAYIBUNMF-MJBXVCDLSA-N 2 1 299.415 -0.596 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1ccn(CC(F)(F)F)n1 ZINC001221108566 825145535 /nfs/dbraw/zinc/14/55/35/825145535.db2.gz ZGUOPOCIJJGPCJ-QMMMGPOBSA-N 2 1 279.266 -0.262 20 0 CBADMP COCC1(CNC(=O)C[NH2+]C2CC[NH2+]CC2)CCOCC1 ZINC001221176615 825150581 /nfs/dbraw/zinc/15/05/81/825150581.db2.gz GORCYNLNQOHGIH-UHFFFAOYSA-N 2 1 299.415 -0.113 20 0 CBADMP CC(C)(C)[NH+]1CC(NC(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001221194049 825152968 /nfs/dbraw/zinc/15/29/68/825152968.db2.gz KBTVMDGLMBOSAR-SNVBAGLBSA-N 2 1 285.392 -0.639 20 0 CBADMP COC(=O)[C@](C)(NC(=O)[C@@H]([NH3+])CC[NH3+])C(F)(F)F ZINC001221219270 825156747 /nfs/dbraw/zinc/15/67/47/825156747.db2.gz RLVPTCQVCYICHG-XNCJUZBTSA-N 2 1 271.239 -0.727 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001221241067 825158863 /nfs/dbraw/zinc/15/88/63/825158863.db2.gz MXVWQWCULAAJRX-OXHZDVMGSA-N 2 1 266.389 -0.191 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001221241252 825158997 /nfs/dbraw/zinc/15/89/97/825158997.db2.gz QZQWTGQWZPDSKX-YPMHNXCESA-N 3 1 266.389 -0.604 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC001221243525 825160970 /nfs/dbraw/zinc/16/09/70/825160970.db2.gz KAGADXUKTAGTPE-DGCLKSJQSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001221243745 825160990 /nfs/dbraw/zinc/16/09/90/825160990.db2.gz MGLGPWIEKITUKQ-HIFRSBDPSA-N 3 1 297.447 -0.663 20 0 CBADMP C[N@@H+]1CCC[C@](C)(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221243745 825160995 /nfs/dbraw/zinc/16/09/95/825160995.db2.gz MGLGPWIEKITUKQ-HIFRSBDPSA-N 3 1 297.447 -0.663 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221243745 825160998 /nfs/dbraw/zinc/16/09/98/825160998.db2.gz MGLGPWIEKITUKQ-HIFRSBDPSA-N 3 1 297.447 -0.663 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC[S@@](C)=O)C1 ZINC001221254756 825161603 /nfs/dbraw/zinc/16/16/03/825161603.db2.gz SFHDIOZURJBVMU-FJHFEUQMSA-N 2 1 261.391 -0.850 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001221253916 825161653 /nfs/dbraw/zinc/16/16/53/825161653.db2.gz BMKZXZMZTVACAL-QWHCGFSZSA-N 3 1 280.416 -0.072 20 0 CBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221254836 825161811 /nfs/dbraw/zinc/16/18/11/825161811.db2.gz WOVVXKADBKWEQT-GVXVVHGQSA-N 2 1 284.404 -0.456 20 0 CBADMP C[N@H+]1C[C@H](C(=O)NCCCC[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001221344828 825175315 /nfs/dbraw/zinc/17/53/15/825175315.db2.gz FSSXTBICBBZNFR-GFCCVEGCSA-N 3 1 284.404 -0.706 20 0 CBADMP CN1C[C@H](C(=O)NCCCC[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001221344828 825175317 /nfs/dbraw/zinc/17/53/17/825175317.db2.gz FSSXTBICBBZNFR-GFCCVEGCSA-N 2 1 284.404 -0.706 20 0 CBADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001221359584 825176201 /nfs/dbraw/zinc/17/62/01/825176201.db2.gz XMOBXDFCHKFMEY-XQQFMLRXSA-N 2 1 299.415 -0.570 20 0 CBADMP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[NH2+]CCN1 ZINC001221358535 825176437 /nfs/dbraw/zinc/17/64/37/825176437.db2.gz PLMJALVANZZLLY-QWHCGFSZSA-N 2 1 298.431 -0.589 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C[C@H]1COCCN1 ZINC001221390596 825180637 /nfs/dbraw/zinc/18/06/37/825180637.db2.gz GUIFLLJQADZFAM-NSHDSACASA-N 2 1 285.392 -0.571 20 0 CBADMP C[NH+](C)CC1CCC(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC1 ZINC001221403496 825182668 /nfs/dbraw/zinc/18/26/68/825182668.db2.gz UIKGTCPVZWKWLG-KPFVRQRISA-N 2 1 268.405 -0.088 20 0 CBADMP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001221403267 825183259 /nfs/dbraw/zinc/18/32/59/825183259.db2.gz ATZGFLXWDRUGGI-RYUDHWBXSA-N 3 1 266.345 -0.513 20 0 CBADMP C[NH+]1CCC(CO)(NC(=O)c2cnc(C[NH3+])s2)CC1 ZINC001221404397 825184547 /nfs/dbraw/zinc/18/45/47/825184547.db2.gz IKNGWYHQXJUCSM-UHFFFAOYSA-N 2 1 284.385 -0.212 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@H](C)C1 ZINC001221409884 825185795 /nfs/dbraw/zinc/18/57/95/825185795.db2.gz VLYXPNZIGUPLRY-FVCCEPFGSA-N 2 1 269.389 -0.056 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)CNCC[NH3+])[C@H](C)C1 ZINC001221410608 825185980 /nfs/dbraw/zinc/18/59/80/825185980.db2.gz SMDIDDDPHRDLOE-NEPJUHHUSA-N 2 1 256.394 -0.230 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2[NH2+]CC[C@@H]2O)[C@H](C)C1 ZINC001221408459 825186031 /nfs/dbraw/zinc/18/60/31/825186031.db2.gz JMJWVYIMDYSTJI-NDBYEHHHSA-N 2 1 269.389 -0.056 20 0 CBADMP C[C@@]1(C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)COCC[NH2+]1 ZINC001221410801 825186270 /nfs/dbraw/zinc/18/62/70/825186270.db2.gz RKXAZRLLKBYJIU-OCCSQVGLSA-N 2 1 267.373 -0.131 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)CNCC[NH3+])[C@@H](C)C1 ZINC001221410610 825186284 /nfs/dbraw/zinc/18/62/84/825186284.db2.gz SMDIDDDPHRDLOE-RYUDHWBXSA-N 2 1 256.394 -0.230 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)C1 ZINC001221411415 825186735 /nfs/dbraw/zinc/18/67/35/825186735.db2.gz WBYZVHCCHPMEAU-GRYCIOLGSA-N 2 1 252.362 -0.820 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777041 825193764 /nfs/dbraw/zinc/19/37/64/825193764.db2.gz OYQCERQDFDIWKF-JHJVBQTASA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777041 825193768 /nfs/dbraw/zinc/19/37/68/825193768.db2.gz OYQCERQDFDIWKF-JHJVBQTASA-N 2 1 296.415 -0.265 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791338 825193880 /nfs/dbraw/zinc/19/38/80/825193880.db2.gz HGEMBKWJJXDHQQ-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791338 825193884 /nfs/dbraw/zinc/19/38/84/825193884.db2.gz HGEMBKWJJXDHQQ-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777042 825194584 /nfs/dbraw/zinc/19/45/84/825194584.db2.gz OYQCERQDFDIWKF-YNEHKIRRSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777042 825194590 /nfs/dbraw/zinc/19/45/90/825194590.db2.gz OYQCERQDFDIWKF-YNEHKIRRSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221883908 825197064 /nfs/dbraw/zinc/19/70/64/825197064.db2.gz ZQGLZSUKTCIPBE-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP Nc1cnc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cn1 ZINC001222104402 825200641 /nfs/dbraw/zinc/20/06/41/825200641.db2.gz GATQFQWLEBSEQA-UHFFFAOYSA-N 2 1 262.361 -0.414 20 0 CBADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1CCO)CC[NH2+]CC2 ZINC001222215949 825205197 /nfs/dbraw/zinc/20/51/97/825205197.db2.gz PEXYCKDLXKPHMR-NSHDSACASA-N 2 1 256.346 -0.014 20 0 CBADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1CCO)CC[NH2+]CC2 ZINC001222215949 825205206 /nfs/dbraw/zinc/20/52/06/825205206.db2.gz PEXYCKDLXKPHMR-NSHDSACASA-N 2 1 256.346 -0.014 20 0 CBADMP Cc1[nH]c(=O)[nH]c(=O)c1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222497557 825212619 /nfs/dbraw/zinc/21/26/19/825212619.db2.gz PKKAJEQSQFVRAN-RYUDHWBXSA-N 2 1 293.371 -0.278 20 0 CBADMP O=C1CC[C@H](CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)N1 ZINC001222492194 825212894 /nfs/dbraw/zinc/21/28/94/825212894.db2.gz QKCBAZHTMXMGRX-WOPDTQHZSA-N 2 1 252.362 -0.709 20 0 CBADMP C[NH+]1CCN(C(=O)CO[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001222536952 825214446 /nfs/dbraw/zinc/21/44/46/825214446.db2.gz KXYBHMBKVTYVEC-GFCCVEGCSA-N 2 1 255.362 -0.129 20 0 CBADMP C[NH+]1CCN(C(=O)CO[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001222536952 825214458 /nfs/dbraw/zinc/21/44/58/825214458.db2.gz KXYBHMBKVTYVEC-GFCCVEGCSA-N 2 1 255.362 -0.129 20 0 CBADMP O=c1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)n[nH]1 ZINC001222507349 825214972 /nfs/dbraw/zinc/21/49/72/825214972.db2.gz UDKAHNGJVXCRBA-RYUDHWBXSA-N 2 1 263.345 -0.292 20 0 CBADMP C([C@H]1C[NH2+]CCO1)N1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001222666266 825220577 /nfs/dbraw/zinc/22/05/77/825220577.db2.gz ANNBWHSJFPTERM-KGLIPLIRSA-N 2 1 268.405 -0.608 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001223425515 825229468 /nfs/dbraw/zinc/22/94/68/825229468.db2.gz VXXMFVGSRZAPHV-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001225087477 825253778 /nfs/dbraw/zinc/25/37/78/825253778.db2.gz GMPRSAXNETVMKM-UHFFFAOYSA-N 2 1 284.404 -0.358 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001225168153 825255092 /nfs/dbraw/zinc/25/50/92/825255092.db2.gz OGNWRLPFXDYKIC-ZDUSSCGKSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCO)C1 ZINC001225525688 825259744 /nfs/dbraw/zinc/25/97/44/825259744.db2.gz TUNCNGBSPJIQOT-MCIONIFRSA-N 2 1 299.415 -0.284 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCO)C1 ZINC001225525688 825259747 /nfs/dbraw/zinc/25/97/47/825259747.db2.gz TUNCNGBSPJIQOT-MCIONIFRSA-N 2 1 299.415 -0.284 20 0 CBADMP CNC(=O)C[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001225578151 825259820 /nfs/dbraw/zinc/25/98/20/825259820.db2.gz QTBAXJVXFNZBON-UHFFFAOYSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@H](C(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC001227961024 825310881 /nfs/dbraw/zinc/31/08/81/825310881.db2.gz OFEGWRLVLDQSAB-CMPLNLGQSA-N 2 1 284.404 -0.219 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CCO)CC1 ZINC001230115161 825342428 /nfs/dbraw/zinc/34/24/28/825342428.db2.gz BKHYMVJYPJTIPG-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+](C)CCC(=O)NC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001228991526 825326235 /nfs/dbraw/zinc/32/62/35/825326235.db2.gz HNURLWFGOQYINB-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001229142615 825328760 /nfs/dbraw/zinc/32/87/60/825328760.db2.gz WMKQQYMDMBYIFH-ZIAGYGMSSA-N 2 1 299.415 -0.282 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC1CC[NH+](CCO)CC1 ZINC001229633738 825334058 /nfs/dbraw/zinc/33/40/58/825334058.db2.gz JFVPDYWMKYCHLK-UHFFFAOYSA-N 2 1 285.388 -0.718 20 0 CBADMP CC[NH+](CC)CC(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001229679401 825335073 /nfs/dbraw/zinc/33/50/73/825335073.db2.gz YMMZCHNLOVMUBT-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](CCOCCO)CC2)C1 ZINC001230262570 825344299 /nfs/dbraw/zinc/34/42/99/825344299.db2.gz GOPPCYKTAONNLG-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP Cn1cc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(=O)n(C)c1=O ZINC001231773294 825416852 /nfs/dbraw/zinc/41/68/52/825416852.db2.gz JPPLARNRIICJAY-IUODEOHRSA-N 2 1 292.383 -0.533 20 0 CBADMP Cn1cc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(=O)n(C)c1=O ZINC001231773294 825416855 /nfs/dbraw/zinc/41/68/55/825416855.db2.gz JPPLARNRIICJAY-IUODEOHRSA-N 2 1 292.383 -0.533 20 0 CBADMP CN(C)CC(=O)N[C@@H]1CCCN(Cc2ccc(=O)[nH]n2)C1 ZINC001232030029 825418014 /nfs/dbraw/zinc/41/80/14/825418014.db2.gz XTHCFZQMKLNEEQ-LLVKDONJSA-N 2 1 293.371 -0.176 20 0 CBADMP C(CN1CC[NH2+]C[C@@]12CC[NH2+]C2)[C@H]1C[NH2+]CCO1 ZINC001234981592 825479812 /nfs/dbraw/zinc/47/98/12/825479812.db2.gz OTHVDCGYVYWFPY-STQMWFEESA-N 3 1 254.378 -0.998 20 0 CBADMP COc1ncnc(OC)c1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234990273 825480164 /nfs/dbraw/zinc/48/01/64/825480164.db2.gz RXAKMXNQVFOODQ-CQSZACIVSA-N 2 1 293.371 -0.369 20 0 CBADMP CC(=O)N1CCC[C@@H](CN2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001234983075 825480287 /nfs/dbraw/zinc/48/02/87/825480287.db2.gz XXGVVVSQAJHSKC-CABCVRRESA-N 2 1 280.416 -0.118 20 0 CBADMP CC(=O)N1CCC(CN2CC[NH2+]C[C@]23CC[NH2+]C3)CC1 ZINC001234978657 825480628 /nfs/dbraw/zinc/48/06/28/825480628.db2.gz BNDKRXXHDJNLGK-OAHLLOKOSA-N 2 1 280.416 -0.118 20 0 CBADMP COCCn1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cn1 ZINC001234987200 825480692 /nfs/dbraw/zinc/48/06/92/825480692.db2.gz MYJONDJUPONTKC-AWEZNQCLSA-N 2 1 279.388 -0.333 20 0 CBADMP c1nc2n(c1CN1CC[NH2+]C[C@]13CC[NH2+]C3)CCNC2 ZINC001234992689 825481939 /nfs/dbraw/zinc/48/19/39/825481939.db2.gz KQEQRFGDEXJWPU-CQSZACIVSA-N 2 1 276.388 -0.876 20 0 CBADMP C[N@H+]1CCC[C@@H](CN2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001235056319 825484951 /nfs/dbraw/zinc/48/49/51/825484951.db2.gz XSVJHPYNQCLGHY-KGLIPLIRSA-N 2 1 252.406 -0.035 20 0 CBADMP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235356240 825495149 /nfs/dbraw/zinc/49/51/49/825495149.db2.gz VVZKHTIUONGEQL-STQMWFEESA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235356240 825495150 /nfs/dbraw/zinc/49/51/50/825495150.db2.gz VVZKHTIUONGEQL-STQMWFEESA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1CN1CC[NH2+]C[C@H]1CO ZINC001235443370 825495795 /nfs/dbraw/zinc/49/57/95/825495795.db2.gz MZYLKTATQRDGQP-OUAUKWLOSA-N 2 1 263.332 -0.257 20 0 CBADMP [NH3+]CC[N@@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCC3)[C@@H]2C1 ZINC001235510901 825498982 /nfs/dbraw/zinc/49/89/82/825498982.db2.gz KRAPMFXENRMVGW-JHJVBQTASA-N 2 1 267.373 -0.238 20 0 CBADMP [NH3+]CC[N@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCC3)[C@@H]2C1 ZINC001235510901 825498986 /nfs/dbraw/zinc/49/89/86/825498986.db2.gz KRAPMFXENRMVGW-JHJVBQTASA-N 2 1 267.373 -0.238 20 0 CBADMP CNC(=O)CN1C(=O)CC[C@]12CCC[N@@H+](CCCC[NH3+])C2 ZINC001235520095 825499884 /nfs/dbraw/zinc/49/98/84/825499884.db2.gz ZASWBLVTNLESRW-HNNXBMFYSA-N 2 1 296.415 -0.072 20 0 CBADMP C[C@H]([NH3+])C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC001235523358 825500781 /nfs/dbraw/zinc/50/07/81/825500781.db2.gz XBUNUTQVVKSLIP-ZDEQEGDKSA-N 2 1 284.404 -0.058 20 0 CBADMP C[C@H]([NH3+])C[N@H+]1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC001235523358 825500785 /nfs/dbraw/zinc/50/07/85/825500785.db2.gz XBUNUTQVVKSLIP-ZDEQEGDKSA-N 2 1 284.404 -0.058 20 0 CBADMP CC(=O)N1CCOC[C@]2(C[N@@H+](CCCC[NH3+])CCO2)C1 ZINC001235543159 825501584 /nfs/dbraw/zinc/50/15/84/825501584.db2.gz UUUOZDRRYKJTIF-AWEZNQCLSA-N 2 1 285.388 -0.325 20 0 CBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C[C@H](C)[NH3+])C2)C1 ZINC001235521898 825502022 /nfs/dbraw/zinc/50/20/22/825502022.db2.gz XFKVFRIVPHUTLE-ZFWWWQNUSA-N 2 1 298.431 -0.506 20 0 CBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C[C@H](C)[NH3+])C2)C1 ZINC001235521898 825502025 /nfs/dbraw/zinc/50/20/25/825502025.db2.gz XFKVFRIVPHUTLE-ZFWWWQNUSA-N 2 1 298.431 -0.506 20 0 CBADMP C[C@H]([NH3+])CN1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001235546775 825503057 /nfs/dbraw/zinc/50/30/57/825503057.db2.gz MKRJRXMMOUSMNB-BFHYXJOUSA-N 2 1 298.431 -0.556 20 0 CBADMP [NH3+]CCCC[N@H+]1CCCn2nnc(Cn3cnnc3)c2C1 ZINC001235613612 825506158 /nfs/dbraw/zinc/50/61/58/825506158.db2.gz ABALDMFLGVMEOB-UHFFFAOYSA-N 2 1 290.375 -0.138 20 0 CBADMP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001235596513 825506787 /nfs/dbraw/zinc/50/67/87/825506787.db2.gz KDNDVDSDLICEDU-LPWJVIDDSA-N 2 1 283.372 -0.308 20 0 CBADMP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001235596513 825506794 /nfs/dbraw/zinc/50/67/94/825506794.db2.gz KDNDVDSDLICEDU-LPWJVIDDSA-N 2 1 283.372 -0.308 20 0 CBADMP COCCN1CCO[C@H]2C[N@@H+](CCCC[NH3+])CC[C@H]2C1=O ZINC001235595361 825507149 /nfs/dbraw/zinc/50/71/49/825507149.db2.gz BHZXACYFFHXHID-KGLIPLIRSA-N 2 1 299.415 -0.079 20 0 CBADMP CC(=O)NCc1nnc2n1CC[N@H+](CCCC[NH3+])C2 ZINC001235605103 825507445 /nfs/dbraw/zinc/50/74/45/825507445.db2.gz IUTUOXWBKKTIPE-UHFFFAOYSA-N 2 1 266.349 -0.531 20 0 CBADMP CC(=O)NCc1nnc2n1CC[N@@H+](CCCC[NH3+])C2 ZINC001235605103 825507441 /nfs/dbraw/zinc/50/74/41/825507441.db2.gz IUTUOXWBKKTIPE-UHFFFAOYSA-N 2 1 266.349 -0.531 20 0 CBADMP CC1(C[NH+]2CCNCC[NH2+]CCNCC2)COC1 ZINC001235869095 825514973 /nfs/dbraw/zinc/51/49/73/825514973.db2.gz KCYHMIUBJMSGDF-UHFFFAOYSA-N 2 1 256.394 -0.893 20 0 CBADMP CCc1[nH]c(CN2CC[NH2+]CCNCC[NH2+]CC2)c(C)[nH+]1 ZINC001235869037 825515148 /nfs/dbraw/zinc/51/51/48/825515148.db2.gz IOEWRKLFJUZSBK-UHFFFAOYSA-N 3 1 294.447 -0.135 20 0 CBADMP C[C@@H]([NH3+])CN1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001235796101 825515487 /nfs/dbraw/zinc/51/54/87/825515487.db2.gz PPDYJIIQRQZJDG-GFCCVEGCSA-N 2 1 268.405 -0.180 20 0 CBADMP C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235840782 825515670 /nfs/dbraw/zinc/51/56/70/825515670.db2.gz ACNKTSGUHOJKKD-FHUSYTEZSA-N 2 1 286.372 -0.235 20 0 CBADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235840782 825515672 /nfs/dbraw/zinc/51/56/72/825515672.db2.gz ACNKTSGUHOJKKD-FHUSYTEZSA-N 2 1 286.372 -0.235 20 0 CBADMP C(C1CCOCC1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235866595 825515758 /nfs/dbraw/zinc/51/57/58/825515758.db2.gz XXGBHABQVFXWGO-UHFFFAOYSA-N 2 1 270.421 -0.503 20 0 CBADMP CC[NH+]1CCC(C[NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001235870879 825516716 /nfs/dbraw/zinc/51/67/16/825516716.db2.gz PTVHGRZOMCKJIH-UHFFFAOYSA-N 3 1 297.491 -0.197 20 0 CBADMP CC[NH2+]CC[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236020674 825520042 /nfs/dbraw/zinc/52/00/42/825520042.db2.gz HGIHRXNFXFRZDI-COMQUAJESA-N 3 1 281.400 -0.074 20 0 CBADMP CC[NH2+]CC[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236020674 825520047 /nfs/dbraw/zinc/52/00/47/825520047.db2.gz HGIHRXNFXFRZDI-COMQUAJESA-N 3 1 281.400 -0.074 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1c[nH+]c(C)n1C ZINC001236193163 825522807 /nfs/dbraw/zinc/52/28/07/825522807.db2.gz AKSQRBVPIYMVHK-ONGXEEELSA-N 2 1 252.318 -0.197 20 0 CBADMP C[N@@H+](CC[C@H]1COC(C)(C)N1)CCN1CC[NH2+]CC1 ZINC001236083932 825523055 /nfs/dbraw/zinc/52/30/55/825523055.db2.gz WSFKALDFKYQJNH-ZDUSSCGKSA-N 2 1 270.421 -0.062 20 0 CBADMP CN(CC[C@H]1COC(C)(C)[NH2+]1)CCN1CC[NH2+]CC1 ZINC001236083932 825523060 /nfs/dbraw/zinc/52/30/60/825523060.db2.gz WSFKALDFKYQJNH-ZDUSSCGKSA-N 2 1 270.421 -0.062 20 0 CBADMP [NH3+]CCCCCC[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236309941 825526967 /nfs/dbraw/zinc/52/69/67/825526967.db2.gz PVGLMJOVTYLGRE-UHFFFAOYSA-N 4 1 287.452 -0.379 20 0 CBADMP [NH3+]CCCCCC[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236309941 825526969 /nfs/dbraw/zinc/52/69/69/825526969.db2.gz PVGLMJOVTYLGRE-UHFFFAOYSA-N 4 1 287.452 -0.379 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1N ZINC001236343985 825528139 /nfs/dbraw/zinc/52/81/39/825528139.db2.gz QPNMAKOZCOEJCB-NWDGAFQWSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@H]1CN(CCC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001236343985 825528147 /nfs/dbraw/zinc/52/81/47/825528147.db2.gz QPNMAKOZCOEJCB-NWDGAFQWSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@@H]1CN(Cc2[nH]c(C)[nH+]c2C)C[C@@H]1[NH3+] ZINC001236363189 825532850 /nfs/dbraw/zinc/53/28/50/825532850.db2.gz ZPSFLMOTOJFNMF-ZJUUUORDSA-N 2 1 252.318 -0.041 20 0 CBADMP CC(=O)N1CC2(C1)C[N@H+](CCCC[NH3+])C[C@H]2C(=O)N(C)C ZINC001237180442 825535187 /nfs/dbraw/zinc/53/51/87/825535187.db2.gz PHTCMAZDFWRRCB-ZDUSSCGKSA-N 2 1 296.415 -0.406 20 0 CBADMP [NH3+]CCS(=O)(=O)N[C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001238809094 825563888 /nfs/dbraw/zinc/56/38/88/825563888.db2.gz XQUPNKWFPBCSOE-JTQLQIEISA-N 2 1 277.390 -0.882 20 0 CBADMP [NH3+]CCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001238986225 825581291 /nfs/dbraw/zinc/58/12/91/825581291.db2.gz JQRGPRCNLAZVIT-GFCCVEGCSA-N 2 1 269.370 -0.079 20 0 CBADMP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH2+]C2(CC2)C1 ZINC001239099011 825588160 /nfs/dbraw/zinc/58/81/60/825588160.db2.gz DFCLPYPKHMNFNW-UHFFFAOYSA-N 2 1 273.402 -0.246 20 0 CBADMP S=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[NH2+]CC12CC2 ZINC001239361303 825600910 /nfs/dbraw/zinc/60/09/10/825600910.db2.gz DCXNPOCZUJHPJH-GFCCVEGCSA-N 2 1 298.456 -0.075 20 0 CBADMP [NH3+][C@@H]1CCN(C(=S)NCCC[NH+]2CCOCC2)C1 ZINC001239447740 825604729 /nfs/dbraw/zinc/60/47/29/825604729.db2.gz PHXYDDAZLKRPBR-LLVKDONJSA-N 2 1 272.418 -0.384 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245971681 825616015 /nfs/dbraw/zinc/61/60/15/825616015.db2.gz GVMYSZUNFYURLX-FRRDWIJNSA-N 3 1 277.384 -0.659 20 0 CBADMP C[C@H]1C[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001246015934 825621293 /nfs/dbraw/zinc/62/12/93/825621293.db2.gz JPMYLTNYGPMRGK-YNEHKIRRSA-N 3 1 271.405 -0.622 20 0 CBADMP CCCOC[C@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246019684 825622057 /nfs/dbraw/zinc/62/20/57/825622057.db2.gz JISKHPKVTOYENB-CHWSQXEVSA-N 2 1 260.378 -0.050 20 0 CBADMP CCCOC[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246019689 825622407 /nfs/dbraw/zinc/62/24/07/825622407.db2.gz JISKHPKVTOYENB-STQMWFEESA-N 2 1 260.378 -0.050 20 0 CBADMP C[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)CC[C@@H]1C[NH3+] ZINC001246020285 825623085 /nfs/dbraw/zinc/62/30/85/825623085.db2.gz KJLCRJAMGYCHMK-RBSFLKMASA-N 2 1 285.432 -0.014 20 0 CBADMP CCCOC[C@H](O)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246023071 825623877 /nfs/dbraw/zinc/62/38/77/825623877.db2.gz LHLGTMBTSHTUGA-RDBSUJKOSA-N 2 1 271.405 -0.200 20 0 CBADMP CCCOC[C@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246023071 825623879 /nfs/dbraw/zinc/62/38/79/825623879.db2.gz LHLGTMBTSHTUGA-RDBSUJKOSA-N 2 1 271.405 -0.200 20 0 CBADMP CCCOC[C@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246023071 825623882 /nfs/dbraw/zinc/62/38/82/825623882.db2.gz LHLGTMBTSHTUGA-RDBSUJKOSA-N 2 1 271.405 -0.200 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@@H]1O ZINC001246021427 825624480 /nfs/dbraw/zinc/62/44/80/825624480.db2.gz MFUKMBBWRASWEL-ZNMIVQPWSA-N 2 1 280.368 -0.185 20 0 CBADMP O[C@H](CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21)C(F)(F)F ZINC001246024633 825624494 /nfs/dbraw/zinc/62/44/94/825624494.db2.gz PHRJBNDXQZBFSG-LPEHRKFASA-N 2 1 267.295 -0.065 20 0 CBADMP CC(C)(C)OC(=O)[C@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246023825 825624536 /nfs/dbraw/zinc/62/45/36/825624536.db2.gz BNFOTSHBMQLMQZ-GFCCVEGCSA-N 2 1 299.415 -0.284 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@H](O)COc2cccc(F)c2)C[C@@H]1O ZINC001246023987 825624603 /nfs/dbraw/zinc/62/46/03/825624603.db2.gz TWJZAWUQOSKWDD-JKOKRWQUSA-N 2 1 284.331 -0.183 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)COc2cccc(F)c2)C[C@@H]1O ZINC001246023987 825624607 /nfs/dbraw/zinc/62/46/07/825624607.db2.gz TWJZAWUQOSKWDD-JKOKRWQUSA-N 2 1 284.331 -0.183 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)COCc2ccco2)C[C@@H]1O ZINC001246024566 825624698 /nfs/dbraw/zinc/62/46/98/825624698.db2.gz UWSAZGKUUQPSKV-GVXVVHGQSA-N 2 1 270.329 -0.592 20 0 CBADMP COc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246025931 825625483 /nfs/dbraw/zinc/62/54/83/825625483.db2.gz YHRDPUHGMPQEAY-YWPYICTPSA-N 2 1 296.367 -0.314 20 0 CBADMP COc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246025931 825625486 /nfs/dbraw/zinc/62/54/86/825625486.db2.gz YHRDPUHGMPQEAY-YWPYICTPSA-N 2 1 296.367 -0.314 20 0 CBADMP CCCOC[C@H](O)C[N@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246027868 825625901 /nfs/dbraw/zinc/62/59/01/825625901.db2.gz YPHNIOSPBPOEIH-IUODEOHRSA-N 2 1 297.399 -0.815 20 0 CBADMP Cc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246025987 825626125 /nfs/dbraw/zinc/62/61/25/825626125.db2.gz YPAMSXVBWCKPBK-IHRRRGAJSA-N 2 1 280.368 -0.014 20 0 CBADMP Cc1ccccc1OC[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246025987 825626127 /nfs/dbraw/zinc/62/61/27/825626127.db2.gz YPAMSXVBWCKPBK-IHRRRGAJSA-N 2 1 280.368 -0.014 20 0 CBADMP O[C@@]1(CN2CCNC[C@@]3(CCCC[NH2+]3)C2)CCC[NH2+]C1 ZINC001246026736 825626676 /nfs/dbraw/zinc/62/66/76/825626676.db2.gz ITMKHFLUOSVELV-GJZGRUSLSA-N 2 1 282.432 -0.482 20 0 CBADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246032095 825628206 /nfs/dbraw/zinc/62/82/06/825628206.db2.gz JAGXBSJJFLEVTD-UONOGXRCSA-N 3 1 285.432 -0.087 20 0 CBADMP CCCCOC[C@@H](O)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246028949 825628224 /nfs/dbraw/zinc/62/82/24/825628224.db2.gz ODNITVOEQIBJFG-KBPBESRZSA-N 2 1 271.405 -0.199 20 0 CBADMP O[C@H](CN1CC[NH2+]C[C@@]12CC[NH2+]C2)C(F)(F)F ZINC001246032637 825629068 /nfs/dbraw/zinc/62/90/68/825629068.db2.gz ZEMVFGCQLMIAJT-BDAKNGLRSA-N 2 1 253.268 -0.453 20 0 CBADMP CCCOC[C@@H](O)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246032530 825629258 /nfs/dbraw/zinc/62/92/58/825629258.db2.gz YMHANYOEGJWBSA-STQMWFEESA-N 2 1 257.378 -0.589 20 0 CBADMP CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246045831 825629433 /nfs/dbraw/zinc/62/94/33/825629433.db2.gz LEPMVQRCMCDNRD-PSIUFMSWSA-N 2 1 286.372 -0.406 20 0 CBADMP CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246045831 825629436 /nfs/dbraw/zinc/62/94/36/825629436.db2.gz LEPMVQRCMCDNRD-PSIUFMSWSA-N 2 1 286.372 -0.406 20 0 CBADMP CCOC(=O)[C@]12C[N@@H+](C[C@H](C)O)C[C@H]1C[NH2+]CC2 ZINC001246048313 825629567 /nfs/dbraw/zinc/62/95/67/825629567.db2.gz WRHWCVMQRJHYSL-DMDPSCGWSA-N 2 1 256.346 -0.158 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](C)[NH2+]C2)CN1 ZINC001246094590 825634401 /nfs/dbraw/zinc/63/44/01/825634401.db2.gz ISBJBMBXWNZQLU-WISYIIOYSA-N 2 1 255.362 -0.132 20 0 CBADMP CN1CCN(CCC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246101057 825636751 /nfs/dbraw/zinc/63/67/51/825636751.db2.gz WSBARCUNRDAODG-AWEZNQCLSA-N 2 1 281.448 -0.693 20 0 CBADMP C[C@H]1C[C@@H](NCc2cc(=O)n3c(n2)C[NH2+]CCC3)CC[NH2+]1 ZINC001246130919 825638432 /nfs/dbraw/zinc/63/84/32/825638432.db2.gz IAIRCTFZAITTNC-RYUDHWBXSA-N 2 1 291.399 -0.033 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2COCCC23C[NH2+]C3)CN1 ZINC001246137645 825638905 /nfs/dbraw/zinc/63/89/05/825638905.db2.gz JRRAVXKOKOQQQF-SDDRHHMPSA-N 2 1 283.372 -0.752 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@H](N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[NH2+]1 ZINC001246135156 825639475 /nfs/dbraw/zinc/63/94/75/825639475.db2.gz QZSCXRNUTZHHRM-KSFQGOMNSA-N 2 1 283.372 -0.754 20 0 CBADMP O=C1C[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CN1 ZINC001246138246 825640130 /nfs/dbraw/zinc/64/01/30/825640130.db2.gz BAIANKWSDMAFBO-QWRGUYRKSA-N 2 1 252.362 -0.661 20 0 CBADMP C1[NH2+]CC12C[C@@H](N[C@@H]1COCCC13C[NH2+]C3)CCN2 ZINC001246138445 825640381 /nfs/dbraw/zinc/64/03/81/825640381.db2.gz MLVMEAUSOYLFFR-NWDGAFQWSA-N 2 1 266.389 -0.952 20 0 CBADMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246149148 825640972 /nfs/dbraw/zinc/64/09/72/825640972.db2.gz ABZRXWBQTJQDMI-NEPJUHHUSA-N 3 1 285.388 -0.232 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CN1 ZINC001246145306 825641635 /nfs/dbraw/zinc/64/16/35/825641635.db2.gz MEDWIQIJWSWXFW-JHJVBQTASA-N 2 1 296.415 -0.646 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CN1 ZINC001246149913 825642124 /nfs/dbraw/zinc/64/21/24/825642124.db2.gz QYQVYLUWLWJZAV-GEJOOGBSSA-N 2 1 297.399 -0.506 20 0 CBADMP COC(=O)[C@@H]([NH3+])Cc1cncn1C1CC[NH2+]CC1 ZINC001246152354 825642209 /nfs/dbraw/zinc/64/22/09/825642209.db2.gz NMYRDLGQYYGPJX-NSHDSACASA-N 2 1 252.318 -0.150 20 0 CBADMP OCCN(CCO)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246159769 825643236 /nfs/dbraw/zinc/64/32/36/825643236.db2.gz CIKAQKIKRPHWJC-PBWFPOADSA-N 2 1 271.405 -0.464 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2C)CN1 ZINC001246166377 825644260 /nfs/dbraw/zinc/64/42/60/825644260.db2.gz QQRSXJRKSNNIGB-QWRGUYRKSA-N 2 1 252.318 -0.315 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C)C2)CN1 ZINC001246178448 825646052 /nfs/dbraw/zinc/64/60/52/825646052.db2.gz XFTLPNIUBCLAMB-WOPDTQHZSA-N 2 1 255.362 -0.179 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)CN1 ZINC001246178441 825646193 /nfs/dbraw/zinc/64/61/93/825646193.db2.gz XFTLPNIUBCLAMB-TUAOUCFPSA-N 2 1 255.362 -0.179 20 0 CBADMP O=C(NCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(F)(F)F ZINC001246181583 825647505 /nfs/dbraw/zinc/64/75/05/825647505.db2.gz WJODLWGDWAPJEN-QMMMGPOBSA-N 2 1 280.294 -0.652 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246201808 825649403 /nfs/dbraw/zinc/64/94/03/825649403.db2.gz GGWDKJLSMSMOGG-DCAQKATOSA-N 2 1 287.360 -0.850 20 0 CBADMP CCOC(=O)CNC(=O)C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246211024 825650903 /nfs/dbraw/zinc/65/09/03/825650903.db2.gz ICLCXPFAPIWMGF-NXEZZACHSA-N 2 1 257.334 -0.604 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@@H](N[C@H]2C[NH2+]CC[C@H]2F)C[NH2+]1 ZINC001246218447 825652347 /nfs/dbraw/zinc/65/23/47/825652347.db2.gz SYOLDLIJMIOLOS-DCQANWLSSA-N 2 1 273.352 -0.040 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CN1 ZINC001246228364 825654471 /nfs/dbraw/zinc/65/44/71/825654471.db2.gz FEQLHLVFHVPHAZ-OLZOCXBDSA-N 2 1 285.388 -0.674 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)CN1 ZINC001246241411 825655134 /nfs/dbraw/zinc/65/51/34/825655134.db2.gz WWZRBUVJYWOHJB-UTUOFQBUSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)CN1 ZINC001246241411 825655141 /nfs/dbraw/zinc/65/51/41/825655141.db2.gz WWZRBUVJYWOHJB-UTUOFQBUSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CCC[N@@H+](C)CC2)CN1 ZINC001246238073 825655486 /nfs/dbraw/zinc/65/54/86/825655486.db2.gz CZTCDVUPRJXYEO-KGLIPLIRSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC001246254451 825656897 /nfs/dbraw/zinc/65/68/97/825656897.db2.gz HNBRPWHRODUEHD-QWHCGFSZSA-N 3 1 268.405 -0.119 20 0 CBADMP CCOC(=O)N1CCC([NH2+][C@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246299205 825661874 /nfs/dbraw/zinc/66/18/74/825661874.db2.gz KIBKVTQPYKSVPP-JQWIXIFHSA-N 2 1 271.361 -0.223 20 0 CBADMP OC[C@H]1C[NH2+]C[C@@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001246299478 825662140 /nfs/dbraw/zinc/66/21/40/825662140.db2.gz KZHXPJOXKTUWRC-URGYJCLVSA-N 3 1 283.416 -0.200 20 0 CBADMP O=C1CC[C@@H]2C[C@H]([NH2+][C@@H]3C[NH2+]C[C@@H]3CO)CCN12 ZINC001246304099 825662524 /nfs/dbraw/zinc/66/25/24/825662524.db2.gz HAVPWELXPDJLSP-DDHJBXDOSA-N 2 1 253.346 -0.690 20 0 CBADMP OC[C@H]1C[NH2+]C[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC001246299179 825662586 /nfs/dbraw/zinc/66/25/86/825662586.db2.gz JZGJJJZMWBZGDB-ZYHUDNBSSA-N 2 1 256.346 -0.158 20 0 CBADMP COC(=O)N1CCC([NH2+][C@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246306049 825663147 /nfs/dbraw/zinc/66/31/47/825663147.db2.gz KHPQGQXUKXRSMX-KOLCDFICSA-N 2 1 257.334 -0.613 20 0 CBADMP CCOC(=O)c1noc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)n1 ZINC001246317628 825664728 /nfs/dbraw/zinc/66/47/28/825664728.db2.gz WQMVZVRXHOJOMI-VIFPVBQESA-N 2 1 295.343 -0.570 20 0 CBADMP CO[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246346167 825667393 /nfs/dbraw/zinc/66/73/93/825667393.db2.gz FERHLAFLPDNKKI-SDDRHHMPSA-N 2 1 254.378 -0.953 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC[NH2+]1 ZINC001246353151 825668281 /nfs/dbraw/zinc/66/82/81/825668281.db2.gz UQYLVZUCCCJBEN-ZJUUUORDSA-N 3 1 260.342 -0.735 20 0 CBADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246401501 825670779 /nfs/dbraw/zinc/67/07/79/825670779.db2.gz LYKRIEVJTJXEBH-QWRGUYRKSA-N 3 1 271.361 -0.623 20 0 CBADMP CNC(=O)[C@H](CCCC[NH2+][C@@H]1CCC[NH2+]C1)NC(C)=O ZINC001246412149 825671533 /nfs/dbraw/zinc/67/15/33/825671533.db2.gz XBJXEUPGSZJXFS-OLZOCXBDSA-N 2 1 284.404 -0.251 20 0 CBADMP COCCC1([NH3+])CCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246424779 825673107 /nfs/dbraw/zinc/67/31/07/825673107.db2.gz UEWCZHXVLWPKFU-RYUDHWBXSA-N 2 1 285.388 -0.280 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)CCO)CN1 ZINC001246488800 825677851 /nfs/dbraw/zinc/67/78/51/825677851.db2.gz JKLYMKJBPSSSQY-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)CN1 ZINC001246529166 825681395 /nfs/dbraw/zinc/68/13/95/825681395.db2.gz IVOVNTRCNDRMSV-KBPBESRZSA-N 2 1 298.431 -0.541 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246544746 825682389 /nfs/dbraw/zinc/68/23/89/825682389.db2.gz SLVZVVUNDJHASJ-YDHLFZDLSA-N 2 1 299.415 -0.154 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@H+]([C@H]2CCOC3(C[NH2+]C3)C2)CC1 ZINC001246541313 825682535 /nfs/dbraw/zinc/68/25/35/825682535.db2.gz FTBUVZRAOZVZSQ-STQMWFEESA-N 3 1 269.389 -0.317 20 0 CBADMP COC(=O)[C@H]1C[C@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246542339 825682816 /nfs/dbraw/zinc/68/28/16/825682816.db2.gz JWRDBNPKSSBNMP-LOWVWBTDSA-N 2 1 271.361 -0.934 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246546989 825682937 /nfs/dbraw/zinc/68/29/37/825682937.db2.gz BPSKRAGGZBKEGZ-SGMGOOAPSA-N 2 1 285.388 -0.544 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246542341 825683177 /nfs/dbraw/zinc/68/31/77/825683177.db2.gz JWRDBNPKSSBNMP-MDZLAQPJSA-N 2 1 271.361 -0.934 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246546270 825683219 /nfs/dbraw/zinc/68/32/19/825683219.db2.gz ZDSXCCXXGCTMQT-OCCSQVGLSA-N 3 1 268.405 -0.744 20 0 CBADMP C[NH2+]C[C@@H]1CCCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)C1 ZINC001246547742 825683269 /nfs/dbraw/zinc/68/32/69/825683269.db2.gz FZMHUFVHNGIQRM-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@H+](C2C[C@@H]3COC[C@H](C2)N3)CC1 ZINC001246544665 825683450 /nfs/dbraw/zinc/68/34/50/825683450.db2.gz RRGPLPVGSDTVQI-PIGZVRMJSA-N 2 1 269.389 -0.319 20 0 CBADMP OC[C@@H]1C[C@H](F)C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246553475 825684377 /nfs/dbraw/zinc/68/43/77/825684377.db2.gz YFTYRRPJQOGTNS-WOPDTQHZSA-N 2 1 257.353 -0.267 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@H](C)[C@H](C[NH3+])C2)C[NH2+]1 ZINC001246548339 825684559 /nfs/dbraw/zinc/68/45/59/825684559.db2.gz GENWKUUEPDLRLX-USZNOCQGSA-N 2 1 255.362 -0.193 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)CN1 ZINC001246558544 825685485 /nfs/dbraw/zinc/68/54/85/825685485.db2.gz MDGHYMBWSCEIKO-DYEKYZERSA-N 2 1 285.388 -0.544 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CN1 ZINC001246558545 825686159 /nfs/dbraw/zinc/68/61/59/825686159.db2.gz MDGHYMBWSCEIKO-MBNYWOFBSA-N 2 1 285.388 -0.544 20 0 CBADMP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CCN1 ZINC001246565682 825686270 /nfs/dbraw/zinc/68/62/70/825686270.db2.gz ZJHJYWNUPPWYJK-KCQAQPDRSA-N 2 1 299.415 -0.154 20 0 CBADMP [NH3+]C[C@@]1(O)CCCC[N@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246560012 825686501 /nfs/dbraw/zinc/68/65/01/825686501.db2.gz ORUIRXLNCKNOFQ-OLZOCXBDSA-N 3 1 269.389 -0.317 20 0 CBADMP NC[C@@]1(O)CCCC[N@@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246560012 825686503 /nfs/dbraw/zinc/68/65/03/825686503.db2.gz ORUIRXLNCKNOFQ-OLZOCXBDSA-N 2 1 269.389 -0.317 20 0 CBADMP NC[C@@]1(O)CCCC[N@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246560012 825686506 /nfs/dbraw/zinc/68/65/06/825686506.db2.gz ORUIRXLNCKNOFQ-OLZOCXBDSA-N 2 1 269.389 -0.317 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CO1 ZINC001246563290 825686737 /nfs/dbraw/zinc/68/67/37/825686737.db2.gz CSEFRCBIYUWLTJ-KKOKHZNYSA-N 2 1 272.345 -0.509 20 0 CBADMP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CO1 ZINC001246563279 825686539 /nfs/dbraw/zinc/68/65/39/825686539.db2.gz CSEFRCBIYUWLTJ-DDHJBXDOSA-N 2 1 272.345 -0.509 20 0 CBADMP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CO1 ZINC001246563279 825686542 /nfs/dbraw/zinc/68/65/42/825686542.db2.gz CSEFRCBIYUWLTJ-DDHJBXDOSA-N 2 1 272.345 -0.509 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CO1 ZINC001246563290 825686744 /nfs/dbraw/zinc/68/67/44/825686744.db2.gz CSEFRCBIYUWLTJ-KKOKHZNYSA-N 2 1 272.345 -0.509 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2CC[C@H]([NH3+])[C@@H](F)CC2)C[NH2+]1 ZINC001246568593 825687419 /nfs/dbraw/zinc/68/74/19/825687419.db2.gz AHRKEUQNISUQHZ-XWLWVQCSSA-N 2 1 259.325 -0.349 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2CC[C@@H](O)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246573835 825687477 /nfs/dbraw/zinc/68/74/77/825687477.db2.gz NCHWTPLQSWLPMR-SBFPOUOMSA-N 2 1 271.361 -0.936 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N2CC[NH2+][C@H](C)C2)C[NH2+]1 ZINC001246570585 825687876 /nfs/dbraw/zinc/68/78/76/825687876.db2.gz BFRAJXKXLXIXGD-NQBHXWOUSA-N 2 1 255.362 -0.036 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCN[C@H](C(F)(F)F)C2)C[C@H]1O ZINC001246578638 825689196 /nfs/dbraw/zinc/68/91/96/825689196.db2.gz GWDRFIFFBDSFBG-JLIMGVALSA-N 2 1 267.295 -0.079 20 0 CBADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CC[C@@H](O)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246576152 825689206 /nfs/dbraw/zinc/68/92/06/825689206.db2.gz RDCQWLYMVFRVDA-WHOHXGKFSA-N 2 1 285.388 -0.548 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCN3C(=O)CC[C@@H]3C2)C[C@H]1O ZINC001246579331 825689385 /nfs/dbraw/zinc/68/93/85/825689385.db2.gz ILHKFOFJUJUYTE-NNYUYHANSA-N 2 1 253.346 -0.609 20 0 CBADMP COC(=O)[C@H]1CCC[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246579612 825689767 /nfs/dbraw/zinc/68/97/67/825689767.db2.gz FXGPQPKVVPCEOM-BJDJZHNGSA-N 2 1 256.346 -0.030 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCC[C@H](n3ncnn3)C2)C[C@H]1O ZINC001246580768 825690807 /nfs/dbraw/zinc/69/08/07/825690807.db2.gz OVOADNQPNRZOBA-FIQHERPVSA-N 2 1 266.349 -0.592 20 0 CBADMP N[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1F ZINC001246583643 825691539 /nfs/dbraw/zinc/69/15/39/825691539.db2.gz IAQUDPJZUUMNNR-SDDRHHMPSA-N 2 1 256.369 -0.158 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1F ZINC001246583643 825691542 /nfs/dbraw/zinc/69/15/42/825691542.db2.gz IAQUDPJZUUMNNR-SDDRHHMPSA-N 3 1 256.369 -0.158 20 0 CBADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1F ZINC001246583643 825691547 /nfs/dbraw/zinc/69/15/47/825691547.db2.gz IAQUDPJZUUMNNR-SDDRHHMPSA-N 3 1 256.369 -0.158 20 0 CBADMP COC(=O)[C@H]1C[C@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CN1 ZINC001246592561 825691938 /nfs/dbraw/zinc/69/19/38/825691938.db2.gz KJTGGPJBLMIHSQ-GRYCIOLGSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@H]1C[C@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CN1 ZINC001246592561 825691943 /nfs/dbraw/zinc/69/19/43/825691943.db2.gz KJTGGPJBLMIHSQ-GRYCIOLGSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2CCCC[C@H](C[NH3+])C2)C[NH2+]1 ZINC001246592561 825691949 /nfs/dbraw/zinc/69/19/49/825691949.db2.gz KJTGGPJBLMIHSQ-GRYCIOLGSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246595520 825692309 /nfs/dbraw/zinc/69/23/09/825692309.db2.gz SYRKRZMYIJFTQL-QWRGUYRKSA-N 2 1 253.346 -0.425 20 0 CBADMP COC[C@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001246595735 825692703 /nfs/dbraw/zinc/69/27/03/825692703.db2.gz VJYVDJOXVGIZAZ-VXGBXAGGSA-N 2 1 254.378 -0.999 20 0 CBADMP COC[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246595735 825692700 /nfs/dbraw/zinc/69/27/00/825692700.db2.gz VJYVDJOXVGIZAZ-VXGBXAGGSA-N 2 1 254.378 -0.999 20 0 CBADMP C[C@]1(O)COCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246593967 825692802 /nfs/dbraw/zinc/69/28/02/825692802.db2.gz UNJCVEZBIPTYTO-VXGBXAGGSA-N 2 1 255.362 -0.836 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CN1 ZINC001246592564 825693052 /nfs/dbraw/zinc/69/30/52/825693052.db2.gz KJTGGPJBLMIHSQ-QJPTWQEYSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CN1 ZINC001246592564 825693056 /nfs/dbraw/zinc/69/30/56/825693056.db2.gz KJTGGPJBLMIHSQ-QJPTWQEYSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@H]1C[C@@H](N2CCCC[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246592564 825693060 /nfs/dbraw/zinc/69/30/60/825693060.db2.gz KJTGGPJBLMIHSQ-QJPTWQEYSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCOC3(CC[NH2+]CC3)C2)CN1 ZINC001246603767 825693725 /nfs/dbraw/zinc/69/37/25/825693725.db2.gz MEYMNQRIZUAABC-STQMWFEESA-N 2 1 297.399 -0.266 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCOC3(CC[NH2+]CC3)C2)CN1 ZINC001246603767 825693727 /nfs/dbraw/zinc/69/37/27/825693727.db2.gz MEYMNQRIZUAABC-STQMWFEESA-N 2 1 297.399 -0.266 20 0 CBADMP O=C1C[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246600076 825694403 /nfs/dbraw/zinc/69/44/03/825694403.db2.gz FIPNJOIGSATZFH-NSHDSACASA-N 2 1 252.362 -0.708 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246599770 825694503 /nfs/dbraw/zinc/69/45/03/825694503.db2.gz QLJRSECRLNQVGJ-NSHDSACASA-N 2 1 255.362 -0.096 20 0 CBADMP O=S1(=O)CC[C@@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246612591 825695093 /nfs/dbraw/zinc/69/50/93/825695093.db2.gz ATHYATUQEROHGV-WOPDTQHZSA-N 2 1 273.402 -0.801 20 0 CBADMP C1C[N@H+](C2C[C@@H]3COC[C@H](C2)N3)CC2(CC[NH2+]CC2)N1 ZINC001246607710 825695190 /nfs/dbraw/zinc/69/51/90/825695190.db2.gz WXAHUUAQQGXGAU-PBWFPOADSA-N 2 1 280.416 -0.467 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCOCC3(CC[NH2+]CC3)C1)CCN2 ZINC001246614767 825695385 /nfs/dbraw/zinc/69/53/85/825695385.db2.gz QBHKFZZBUCGOFE-AWEZNQCLSA-N 3 1 294.443 -0.218 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@]3(CCC[NH2+]3)C1)CCN2 ZINC001246611878 825695603 /nfs/dbraw/zinc/69/56/03/825695603.db2.gz DSHAEYMIZRHPKB-QWHCGFSZSA-N 3 1 250.390 -0.092 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@]3(CCC[NH2+]3)C1)CCN2 ZINC001246611878 825695604 /nfs/dbraw/zinc/69/56/04/825695604.db2.gz DSHAEYMIZRHPKB-QWHCGFSZSA-N 3 1 250.390 -0.092 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246625004 825696401 /nfs/dbraw/zinc/69/64/01/825696401.db2.gz QORGSYKEEDTQKR-FIQHERPVSA-N 2 1 253.346 -0.426 20 0 CBADMP O=C1CC[C@@H]2C[C@@H](N3CC[NH2+]C[C@@]34CC[NH2+]C4)CCN12 ZINC001246623645 825696465 /nfs/dbraw/zinc/69/64/65/825696465.db2.gz BEKVFMANBQXHKQ-IPYPFGDCSA-N 2 1 278.400 -0.223 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246622295 825697234 /nfs/dbraw/zinc/69/72/34/825697234.db2.gz HBLCYTCWMZQACS-UKRRQHHQSA-N 2 1 296.415 -0.739 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2CCC(F)(C[NH3+])CC2)C[NH2+]1 ZINC001246624828 825697242 /nfs/dbraw/zinc/69/72/42/825697242.db2.gz FVECJWMRYVFPHD-VHSXEESVSA-N 2 1 259.325 -0.347 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH+]2CCC(F)(C[NH3+])CC2)CN1 ZINC001246624828 825697247 /nfs/dbraw/zinc/69/72/47/825697247.db2.gz FVECJWMRYVFPHD-VHSXEESVSA-N 2 1 259.325 -0.347 20 0 CBADMP COC(=O)N1CCC(N2CC[NH2+]C[C@@]23CC[NH2+]C3)CC1 ZINC001246624844 825697316 /nfs/dbraw/zinc/69/73/16/825697316.db2.gz CTIMTCSRTJTNMO-AWEZNQCLSA-N 2 1 282.388 -0.146 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246631524 825697867 /nfs/dbraw/zinc/69/78/67/825697867.db2.gz QDGQMRXVGMGWFH-MDZLAQPJSA-N 2 1 253.346 -0.425 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CN1 ZINC001246630336 825698153 /nfs/dbraw/zinc/69/81/53/825698153.db2.gz IZWSUPYHUJWNAT-FVCCEPFGSA-N 2 1 283.372 -0.800 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CN1 ZINC001246631069 825698245 /nfs/dbraw/zinc/69/82/45/825698245.db2.gz ONANYCMMXORZPQ-MBNYWOFBSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CN1 ZINC001246631069 825698247 /nfs/dbraw/zinc/69/82/47/825698247.db2.gz ONANYCMMXORZPQ-MBNYWOFBSA-N 2 1 267.373 -0.035 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246629689 825698511 /nfs/dbraw/zinc/69/85/11/825698511.db2.gz HHPOZHQIEWBHLZ-OLZOCXBDSA-N 3 1 250.390 -0.234 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC[C@@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246631166 825698617 /nfs/dbraw/zinc/69/86/17/825698617.db2.gz RDZRYQKAKWXMRR-OBJOEFQTSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CN1 ZINC001246636656 825699503 /nfs/dbraw/zinc/69/95/03/825699503.db2.gz VWKDEUFWULBDIX-YIYPIFLZSA-N 2 1 297.399 -0.410 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2CCN[C@@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246633881 825699584 /nfs/dbraw/zinc/69/95/84/825699584.db2.gz FXQZZIUFFRYIHX-NWANDNLSSA-N 2 1 296.415 -0.693 20 0 CBADMP c1nnn([C@@H]2CCC[C@@H]([N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)C2)n1 ZINC001246633338 825699649 /nfs/dbraw/zinc/69/96/49/825699649.db2.gz CIHLDIPHMMBSLS-MGPQQGTHSA-N 2 1 291.403 -0.206 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N2CCN[C@@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246633880 825699854 /nfs/dbraw/zinc/69/98/54/825699854.db2.gz FXQZZIUFFRYIHX-BPLDGKMQSA-N 2 1 296.415 -0.693 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCN[C@]3(CC[NH2+]C3)C1)CCO2 ZINC001246640726 825700671 /nfs/dbraw/zinc/70/06/71/825700671.db2.gz GVFCALYIRYPYMW-OLZOCXBDSA-N 3 1 266.389 -0.855 20 0 CBADMP C1[NH2+]CC12C[C@H](N1CCN[C@]3(CC[NH2+]C3)C1)CCO2 ZINC001246640726 825700677 /nfs/dbraw/zinc/70/06/77/825700677.db2.gz GVFCALYIRYPYMW-OLZOCXBDSA-N 2 1 266.389 -0.855 20 0 CBADMP C1C[C@]2(C[NH2+]1)C[N@H+]([C@@H]1C[C@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246641204 825700746 /nfs/dbraw/zinc/70/07/46/825700746.db2.gz HWQCZUWBNUXQAC-DGAVXFQQSA-N 3 1 250.390 -0.378 20 0 CBADMP C1C[C@]2(C[NH2+]1)C[N@H+]([C@H]1C[C@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246641202 825700822 /nfs/dbraw/zinc/70/08/22/825700822.db2.gz HWQCZUWBNUXQAC-CRWXNKLISA-N 3 1 250.390 -0.378 20 0 CBADMP C1[NH2+]CC12CC[C@@H]([N@H+]1CCN[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246641470 825700901 /nfs/dbraw/zinc/70/09/01/825700901.db2.gz IIWRWDBWRBYZEY-TZMCWYRMSA-N 3 1 250.390 -0.234 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246641995 825701000 /nfs/dbraw/zinc/70/10/00/825701000.db2.gz KMDFFRVMKKEEQP-YRGRVCCFSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246641995 825701008 /nfs/dbraw/zinc/70/10/08/825701008.db2.gz KMDFFRVMKKEEQP-YRGRVCCFSA-N 2 1 267.373 -0.035 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@@H+]1CCC[C@@]13CC[NH2+]C3)CCN2 ZINC001246651693 825702743 /nfs/dbraw/zinc/70/27/43/825702743.db2.gz YJVJGIMBZYJZLT-JSGCOSHPSA-N 3 1 250.390 -0.092 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCC[C@@]13CC[NH2+]C3)CCN2 ZINC001246651693 825702749 /nfs/dbraw/zinc/70/27/49/825702749.db2.gz YJVJGIMBZYJZLT-JSGCOSHPSA-N 3 1 250.390 -0.092 20 0 CBADMP O=C1CC[C@@H]2C[C@H]([N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)CCN12 ZINC001246645328 825702918 /nfs/dbraw/zinc/70/29/18/825702918.db2.gz UHNWDHSDBWJNIH-UMVBOHGHSA-N 2 1 278.400 -0.223 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2C[C@H]3CCC[NH2+][C@H]3C2)C[NH2+]1 ZINC001246657494 825703466 /nfs/dbraw/zinc/70/34/66/825703466.db2.gz MRPIRCFRUSSNDI-WYUUTHIRSA-N 2 1 253.346 -0.426 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@H]3[NH2+]CC[C@@H]3C2)C[NH2+]1 ZINC001246660844 825704084 /nfs/dbraw/zinc/70/40/84/825704084.db2.gz PHHNUQBLIDNCNR-KXNHARMFSA-N 2 1 253.346 -0.426 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1[C@@H]3CC[C@H]1C[NH2+]CC3)CCN2 ZINC001246675304 825704858 /nfs/dbraw/zinc/70/48/58/825704858.db2.gz FMIPBQKRBAVXPA-UPJWGTAASA-N 3 1 250.390 -0.093 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@@H+]1[C@@H]3CC[C@H]1CNCC3)CCN2 ZINC001246675304 825704865 /nfs/dbraw/zinc/70/48/65/825704865.db2.gz FMIPBQKRBAVXPA-UPJWGTAASA-N 2 1 250.390 -0.093 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1[C@@H]3CC[C@H]1CNCC3)CCN2 ZINC001246675304 825704872 /nfs/dbraw/zinc/70/48/72/825704872.db2.gz FMIPBQKRBAVXPA-UPJWGTAASA-N 2 1 250.390 -0.093 20 0 CBADMP CN1CC[N@H+](C)C2(CCN([C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC001246718478 825707223 /nfs/dbraw/zinc/70/72/23/825707223.db2.gz KLYKOLPGDKEJEI-CYBMUJFWSA-N 2 1 280.416 -0.023 20 0 CBADMP CN1CC[N@@H+](C)C2(CCN([C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC001246718478 825707225 /nfs/dbraw/zinc/70/72/25/825707225.db2.gz KLYKOLPGDKEJEI-CYBMUJFWSA-N 2 1 280.416 -0.023 20 0 CBADMP CN1CC[N@H+](C)C2(CCN([C@H]3CCC[NH2+]C3)CC2)C1=O ZINC001246718481 825708134 /nfs/dbraw/zinc/70/81/34/825708134.db2.gz KLYKOLPGDKEJEI-ZDUSSCGKSA-N 2 1 280.416 -0.023 20 0 CBADMP CN1CC[N@@H+](C)C2(CCN([C@H]3CCC[NH2+]C3)CC2)C1=O ZINC001246718481 825708141 /nfs/dbraw/zinc/70/81/41/825708141.db2.gz KLYKOLPGDKEJEI-ZDUSSCGKSA-N 2 1 280.416 -0.023 20 0 CBADMP CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246749659 825708629 /nfs/dbraw/zinc/70/86/29/825708629.db2.gz RSUWYHYLIWNMLL-YNEHKIRRSA-N 2 1 278.400 -0.225 20 0 CBADMP CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2[C@@H]1CCC[NH2+]C1 ZINC001246746308 825709217 /nfs/dbraw/zinc/70/92/17/825709217.db2.gz HRCDOKLNADYBQA-AGIUHOORSA-N 2 1 294.399 -0.498 20 0 CBADMP CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2[C@@H]1CCC[NH2+]C1 ZINC001246746308 825709219 /nfs/dbraw/zinc/70/92/19/825709219.db2.gz HRCDOKLNADYBQA-AGIUHOORSA-N 2 1 294.399 -0.498 20 0 CBADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246760005 825709324 /nfs/dbraw/zinc/70/93/24/825709324.db2.gz NVYFVBZWVUQSOS-OSAQELSMSA-N 2 1 294.399 -0.450 20 0 CBADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246760005 825709330 /nfs/dbraw/zinc/70/93/30/825709330.db2.gz NVYFVBZWVUQSOS-OSAQELSMSA-N 2 1 294.399 -0.450 20 0 CBADMP C1[NH2+]CC12CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246789697 825710975 /nfs/dbraw/zinc/71/09/75/825710975.db2.gz FEBSXAVRJWNWJB-LBPRGKRZSA-N 3 1 250.390 -0.234 20 0 CBADMP C1[NH2+]CC12CCCN([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246789697 825710979 /nfs/dbraw/zinc/71/09/79/825710979.db2.gz FEBSXAVRJWNWJB-LBPRGKRZSA-N 2 1 250.390 -0.234 20 0 CBADMP CS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246796576 825711654 /nfs/dbraw/zinc/71/16/54/825711654.db2.gz MJIPSLYHAXDDTB-MNOVXSKESA-N 2 1 273.402 -0.801 20 0 CBADMP CC[NH2+]C1CCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246799695 825713043 /nfs/dbraw/zinc/71/30/43/825713043.db2.gz AJRMVQIHKUGPDF-RYUDHWBXSA-N 2 1 255.362 -0.036 20 0 CBADMP COCCCN([C@H]1C[NH2+][C@@H](C(=O)OC)C1)[C@H]1CCC[NH2+]C1 ZINC001246806297 825713161 /nfs/dbraw/zinc/71/31/61/825713161.db2.gz HPBFSNSSSLPWIH-BFHYXJOUSA-N 2 1 299.415 -0.020 20 0 CBADMP O=C1OC[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246819927 825716714 /nfs/dbraw/zinc/71/67/14/825716714.db2.gz LGLPSVQIBWFSBL-GHMZBOCLSA-N 2 1 266.345 -0.783 20 0 CBADMP CC[N@H+]1CC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246822682 825717036 /nfs/dbraw/zinc/71/70/36/825717036.db2.gz SHUBEASNTMGHOW-CQSZACIVSA-N 3 1 269.437 -0.835 20 0 CBADMP C1COCC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246824520 825717417 /nfs/dbraw/zinc/71/74/17/825717417.db2.gz YPYWEAAVPRRMIX-CQSZACIVSA-N 2 1 270.421 -0.360 20 0 CBADMP C1COCC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246824519 825717974 /nfs/dbraw/zinc/71/79/74/825717974.db2.gz YPYWEAAVPRRMIX-AWEZNQCLSA-N 2 1 270.421 -0.360 20 0 CBADMP CN1C[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246843144 825720481 /nfs/dbraw/zinc/72/04/81/825720481.db2.gz UEYMPXPTYGHBOR-FRRDWIJNSA-N 2 1 250.390 -0.426 20 0 CBADMP COCC[N@H+](C1CC[NH2+]CC1)[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246840656 825720454 /nfs/dbraw/zinc/72/04/54/825720454.db2.gz OZUAJIALTHDSIF-KGLIPLIRSA-N 2 1 299.415 -0.020 20 0 CBADMP COCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246840656 825720458 /nfs/dbraw/zinc/72/04/58/825720458.db2.gz OZUAJIALTHDSIF-KGLIPLIRSA-N 2 1 299.415 -0.020 20 0 CBADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246843144 825720468 /nfs/dbraw/zinc/72/04/68/825720468.db2.gz UEYMPXPTYGHBOR-FRRDWIJNSA-N 3 1 250.390 -0.426 20 0 CBADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246843144 825720473 /nfs/dbraw/zinc/72/04/73/825720473.db2.gz UEYMPXPTYGHBOR-FRRDWIJNSA-N 3 1 250.390 -0.426 20 0 CBADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246843144 825720477 /nfs/dbraw/zinc/72/04/77/825720477.db2.gz UEYMPXPTYGHBOR-FRRDWIJNSA-N 3 1 250.390 -0.426 20 0 CBADMP CN1C[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246843144 825720488 /nfs/dbraw/zinc/72/04/88/825720488.db2.gz UEYMPXPTYGHBOR-FRRDWIJNSA-N 2 1 250.390 -0.426 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1C[C@H]3CC[NH2+]C[C@H]3C1)CCN2 ZINC001246842149 825720587 /nfs/dbraw/zinc/72/05/87/825720587.db2.gz BIMBHONEKXFSSB-FRRDWIJNSA-N 3 1 250.390 -0.378 20 0 CBADMP CCN1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246849422 825721081 /nfs/dbraw/zinc/72/10/81/825721081.db2.gz QWFWHYNPLVAFTE-NSHDSACASA-N 2 1 252.362 -0.756 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CCN1 ZINC001246858333 825722083 /nfs/dbraw/zinc/72/20/83/825722083.db2.gz FFGJXCLRZCUIPB-DQJFZVCTSA-N 2 1 283.372 -0.815 20 0 CBADMP CS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246855997 825722520 /nfs/dbraw/zinc/72/25/20/825722520.db2.gz RNZNLFOAHARFPA-VXGBXAGGSA-N 2 1 287.429 -0.411 20 0 CBADMP O=C1NCC[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]12 ZINC001246854982 825722956 /nfs/dbraw/zinc/72/29/56/825722956.db2.gz RRLKGARJKHXQIY-QJPTWQEYSA-N 2 1 264.373 -0.852 20 0 CBADMP CS(=O)(=O)N1CCC([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246862788 825724363 /nfs/dbraw/zinc/72/43/63/825724363.db2.gz RLWQMTDCTVJITO-PWSUYJOCSA-N 2 1 273.402 -0.167 20 0 CBADMP CS(=O)(=O)N1CCC([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246862788 825724367 /nfs/dbraw/zinc/72/43/67/825724367.db2.gz RLWQMTDCTVJITO-PWSUYJOCSA-N 2 1 273.402 -0.167 20 0 CBADMP COC(=O)[C@H]([NH3+])C1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246865237 825724603 /nfs/dbraw/zinc/72/46/03/825724603.db2.gz SHZXTOJJSFIXDF-CHWSQXEVSA-N 3 1 296.415 -0.707 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCOC[C@@H]2C[NH+](C)C)C[NH2+]1 ZINC001246864233 825724669 /nfs/dbraw/zinc/72/46/69/825724669.db2.gz ROSGCXUKKSTMGO-WOPDTQHZSA-N 2 1 271.361 -0.848 20 0 CBADMP CC(=O)N1CCC([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1 ZINC001246861898 825724741 /nfs/dbraw/zinc/72/47/41/825724741.db2.gz RBQBIMBWQSSBNN-ONXXMXGDSA-N 2 1 267.373 -0.097 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@]3(CC[N@H+](C)C3)C2)C[NH2+]1 ZINC001246868929 825725909 /nfs/dbraw/zinc/72/59/09/825725909.db2.gz PPXOBLBNWZHMSJ-SGMGOOAPSA-N 2 1 267.373 -0.083 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[NH2+]1 ZINC001246868929 825725916 /nfs/dbraw/zinc/72/59/16/825725916.db2.gz PPXOBLBNWZHMSJ-SGMGOOAPSA-N 2 1 267.373 -0.083 20 0 CBADMP COC(=O)C[C@H]1COCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246869132 825725961 /nfs/dbraw/zinc/72/59/61/825725961.db2.gz FDEHCLLWFZGQFN-NEPJUHHUSA-N 2 1 283.372 -0.656 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@@H+]1C[C@H]3CCC[C@@H](C1)N3)CCN2 ZINC001246883040 825727457 /nfs/dbraw/zinc/72/74/57/825727457.db2.gz SXPKFFIAMQMNKM-FRRDWIJNSA-N 2 1 250.390 -0.093 20 0 CBADMP C1[NH2+]CC12C[C@H](N1C[C@H]3CCC[C@@H](C1)[NH2+]3)CCN2 ZINC001246883040 825727460 /nfs/dbraw/zinc/72/74/60/825727460.db2.gz SXPKFFIAMQMNKM-FRRDWIJNSA-N 2 1 250.390 -0.093 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH+]2CCC(N3CC[NH2+]CC3)CC2)CN1 ZINC001246885134 825727631 /nfs/dbraw/zinc/72/76/31/825727631.db2.gz DUWQWMPHOSINNI-KBPBESRZSA-N 2 1 296.415 -0.741 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C1C[C@@H]2COC[C@H](C1)[N@@H+]2C ZINC001246902652 825728541 /nfs/dbraw/zinc/72/85/41/825728541.db2.gz FHJJVKCZBLVKKY-ZZIFITQXSA-N 2 1 283.372 -0.577 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001246902652 825728548 /nfs/dbraw/zinc/72/85/48/825728548.db2.gz FHJJVKCZBLVKKY-ZZIFITQXSA-N 2 1 283.372 -0.577 20 0 CBADMP CN1CC2(C1)CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246899173 825729000 /nfs/dbraw/zinc/72/90/00/825729000.db2.gz QBIJBGFDXDDZLR-GFCCVEGCSA-N 2 1 250.390 -0.282 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@H]([NH3+])C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246909482 825729657 /nfs/dbraw/zinc/72/96/57/825729657.db2.gz XMAAMHCJAHWISN-YAMSLAJTSA-N 2 1 299.371 -0.755 20 0 CBADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@H]32)C[NH2+]1 ZINC001246914311 825730416 /nfs/dbraw/zinc/73/04/16/825730416.db2.gz BZQPSFSKLRLYEB-NOOOWODRSA-N 2 1 267.373 -0.038 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@@H]([NH3+])C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246909479 825730424 /nfs/dbraw/zinc/73/04/24/825730424.db2.gz XMAAMHCJAHWISN-AYGWYOGXSA-N 2 1 299.371 -0.755 20 0 CBADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246920353 825732061 /nfs/dbraw/zinc/73/20/61/825732061.db2.gz MXFQMPZZCUDPPJ-BTTYYORXSA-N 4 1 297.447 -0.900 20 0 CBADMP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246920353 825732066 /nfs/dbraw/zinc/73/20/66/825732066.db2.gz MXFQMPZZCUDPPJ-BTTYYORXSA-N 3 1 297.447 -0.900 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CN1 ZINC001246929856 825732868 /nfs/dbraw/zinc/73/28/68/825732868.db2.gz HLGJXIFZKAZSMQ-XQHKEYJVSA-N 2 1 267.373 -0.179 20 0 CBADMP COCCN([C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246929397 825733163 /nfs/dbraw/zinc/73/31/63/825733163.db2.gz ODCJARZNELWAOD-WOPDTQHZSA-N 2 1 271.361 -0.800 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@H]([NH3+])[C@H](C(=O)OC)C2)C[NH2+]1 ZINC001246932709 825733737 /nfs/dbraw/zinc/73/37/37/825733737.db2.gz HCZZKQLQWYSLCA-BBGACYKPSA-N 2 1 299.371 -0.898 20 0 CBADMP C[NH2+]C1CCC([N@H+]2C[C@H](N)[C@@H](C(=O)OC)C2)CC1 ZINC001246935885 825733906 /nfs/dbraw/zinc/73/39/06/825733906.db2.gz ZHMQFUIRSRPODF-QQFIATSDSA-N 2 1 255.362 -0.051 20 0 CBADMP C[NH2+]C1CCC(N2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246935885 825733908 /nfs/dbraw/zinc/73/39/08/825733908.db2.gz ZHMQFUIRSRPODF-QQFIATSDSA-N 2 1 255.362 -0.051 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[NH2+]1 ZINC001246947918 825735772 /nfs/dbraw/zinc/73/57/72/825735772.db2.gz MVEOYXSBMPJPEY-YCGPCKTQSA-N 2 1 267.373 -0.180 20 0 CBADMP COC(=O)C[C@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246965413 825736843 /nfs/dbraw/zinc/73/68/43/825736843.db2.gz HUVXRXISEUKXQB-VXGBXAGGSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CN1 ZINC001246972386 825736990 /nfs/dbraw/zinc/73/69/90/825736990.db2.gz DQBYMEHLUWVCRZ-VLJOUNFMSA-N 2 1 267.373 -0.051 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CN1 ZINC001246978199 825737342 /nfs/dbraw/zinc/73/73/42/825737342.db2.gz VCQNZQYKMCBJDI-HTFCKZLJSA-N 2 1 253.346 -0.441 20 0 CBADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246981106 825739109 /nfs/dbraw/zinc/73/91/09/825739109.db2.gz UTNHMDPVHHXQBL-HZSPNIEDSA-N 3 1 264.417 -0.036 20 0 CBADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246981106 825739117 /nfs/dbraw/zinc/73/91/17/825739117.db2.gz UTNHMDPVHHXQBL-HZSPNIEDSA-N 3 1 264.417 -0.036 20 0 CBADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246981106 825739123 /nfs/dbraw/zinc/73/91/23/825739123.db2.gz UTNHMDPVHHXQBL-HZSPNIEDSA-N 3 1 264.417 -0.036 20 0 CBADMP CCN1C[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246981106 825739128 /nfs/dbraw/zinc/73/91/28/825739128.db2.gz UTNHMDPVHHXQBL-HZSPNIEDSA-N 2 1 264.417 -0.036 20 0 CBADMP CCN1C[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246981106 825739135 /nfs/dbraw/zinc/73/91/35/825739135.db2.gz UTNHMDPVHHXQBL-HZSPNIEDSA-N 2 1 264.417 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246985864 825739565 /nfs/dbraw/zinc/73/95/65/825739565.db2.gz LEODHSUPEVRXJT-MCIONIFRSA-N 3 1 298.431 -0.495 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2C(F)(F)F)C[NH2+]1 ZINC001246986707 825739759 /nfs/dbraw/zinc/73/97/59/825739759.db2.gz GABZEWWPGHLEAU-XHNCKOQMSA-N 2 1 281.278 -0.274 20 0 CBADMP COC(=O)CO[C@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246999735 825740778 /nfs/dbraw/zinc/74/07/78/825740778.db2.gz TUJBOAUFDBKPDT-NEPJUHHUSA-N 2 1 283.372 -0.656 20 0 CBADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12CC2 ZINC001246991863 825740943 /nfs/dbraw/zinc/74/09/43/825740943.db2.gz DAHIXLXDCGOTCD-NEPJUHHUSA-N 2 1 279.384 -0.035 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C[NH2+]1 ZINC001247012203 825742765 /nfs/dbraw/zinc/74/27/65/825742765.db2.gz CVKSTOJWCTZVCG-MROQNXINSA-N 2 1 267.373 -0.036 20 0 CBADMP OCC[NH+](CCO)CCC[NH2+]C[C@H](O)C(F)(F)F ZINC001250987059 825755630 /nfs/dbraw/zinc/75/56/30/825755630.db2.gz FJMNZMKBIUXLQZ-VIFPVBQESA-N 2 1 274.283 -0.824 20 0 CBADMP CC[N@H+]1C[C@@H]2C[NH+](C[C@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251024463 825765861 /nfs/dbraw/zinc/76/58/61/825765861.db2.gz SVFOKFFNZBOMQJ-QLFBSQMISA-N 2 1 283.416 -0.437 20 0 CBADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251024463 825765865 /nfs/dbraw/zinc/76/58/65/825765865.db2.gz SVFOKFFNZBOMQJ-QLFBSQMISA-N 2 1 283.416 -0.437 20 0 CBADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251024463 825765871 /nfs/dbraw/zinc/76/58/71/825765871.db2.gz SVFOKFFNZBOMQJ-QLFBSQMISA-N 2 1 283.416 -0.437 20 0 CBADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251024463 825765874 /nfs/dbraw/zinc/76/58/74/825765874.db2.gz SVFOKFFNZBOMQJ-QLFBSQMISA-N 2 1 283.416 -0.437 20 0 CBADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC001251035069 825767238 /nfs/dbraw/zinc/76/72/38/825767238.db2.gz DRZFBPUWOXFNPL-ZIAGYGMSSA-N 2 1 271.405 -0.247 20 0 CBADMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC001251035068 825767244 /nfs/dbraw/zinc/76/72/44/825767244.db2.gz DRZFBPUWOXFNPL-UONOGXRCSA-N 2 1 271.405 -0.247 20 0 CBADMP C[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001251959767 825809963 /nfs/dbraw/zinc/80/99/63/825809963.db2.gz IROUUJPFMRFZJA-BFHYXJOUSA-N 2 1 299.415 -0.522 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001251959767 825809969 /nfs/dbraw/zinc/80/99/69/825809969.db2.gz IROUUJPFMRFZJA-BFHYXJOUSA-N 2 1 299.415 -0.522 20 0 CBADMP C[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001251959767 825809979 /nfs/dbraw/zinc/80/99/79/825809979.db2.gz IROUUJPFMRFZJA-BFHYXJOUSA-N 2 1 299.415 -0.522 20 0 CBADMP C[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001251959767 825809983 /nfs/dbraw/zinc/80/99/83/825809983.db2.gz IROUUJPFMRFZJA-BFHYXJOUSA-N 2 1 299.415 -0.522 20 0 CBADMP CCOC[C@@H](O)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001252029455 825813210 /nfs/dbraw/zinc/81/32/10/825813210.db2.gz QOWOMKAIBZJNKH-ZDUSSCGKSA-N 2 1 259.394 -0.437 20 0 CBADMP CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252033333 825814296 /nfs/dbraw/zinc/81/42/96/825814296.db2.gz UNSMKXMFTWDDDO-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCOC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252033333 825814302 /nfs/dbraw/zinc/81/43/02/825814302.db2.gz UNSMKXMFTWDDDO-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP Cc1cc(N2CC[NH+](C[C@H](O)CO)CC2)cc[nH+]1 ZINC001252062571 825826494 /nfs/dbraw/zinc/82/64/94/825826494.db2.gz QXNUYERNZMXQQY-ZDUSSCGKSA-N 2 1 251.330 -0.135 20 0 CBADMP CCCC[C@@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001252108636 825832081 /nfs/dbraw/zinc/83/20/81/825832081.db2.gz QMSGWNIPNJDMLM-CYBMUJFWSA-N 2 1 262.394 -0.196 20 0 CBADMP CC(C)OC[C@@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001252692920 825883508 /nfs/dbraw/zinc/88/35/08/825883508.db2.gz GPZONWROJZJREF-ZDUSSCGKSA-N 2 1 278.393 -0.961 20 0 CBADMP COC[C@@H](O)C[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001252819155 825890428 /nfs/dbraw/zinc/89/04/28/825890428.db2.gz BOHAGIXEYSSIBO-HNNXBMFYSA-N 2 1 285.432 -0.047 20 0 CBADMP OC1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)COC1 ZINC001252944607 825895345 /nfs/dbraw/zinc/89/53/45/825895345.db2.gz SDHJDFKPYWZETJ-OAHLLOKOSA-N 2 1 292.379 -0.026 20 0 CBADMP OC1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)COC1 ZINC001252944607 825895352 /nfs/dbraw/zinc/89/53/52/825895352.db2.gz SDHJDFKPYWZETJ-OAHLLOKOSA-N 2 1 292.379 -0.026 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001253182774 825903033 /nfs/dbraw/zinc/90/30/33/825903033.db2.gz TUZRQLSPHKXOCE-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+](CC)C[C@@H](O)CNCC[N@H+]1CCC[C@@H](O)C1 ZINC001253209679 825905639 /nfs/dbraw/zinc/90/56/39/825905639.db2.gz GYMVVTFFSLJUET-KGLIPLIRSA-N 2 1 273.421 -0.265 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[NH2+]CCN1CCOC1=O ZINC001253207462 825905858 /nfs/dbraw/zinc/90/58/58/825905858.db2.gz IFIJFZFMAQZIJX-NSHDSACASA-N 2 1 259.350 -0.269 20 0 CBADMP CN1C[C@@H]2C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@@H]2C1=O ZINC001253389746 825910288 /nfs/dbraw/zinc/91/02/88/825910288.db2.gz CQFJFGHCRIQIDF-UTUOFQBUSA-N 2 1 269.389 -0.245 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCC(=O)N1CCOCC1 ZINC001253383990 825911388 /nfs/dbraw/zinc/91/13/88/825911388.db2.gz LIJRUCQTTWXXNO-LBPRGKRZSA-N 2 1 287.404 -0.426 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@]2(CCNC2=O)C1 ZINC001253390494 825912369 /nfs/dbraw/zinc/91/23/69/825912369.db2.gz VBBRTARZUHHZEK-BXUZGUMPSA-N 2 1 269.389 -0.053 20 0 CBADMP CC(=O)N1C[C@@H]2C[C@]2([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253405969 825913444 /nfs/dbraw/zinc/91/34/44/825913444.db2.gz VIYRAOCJVNRCGU-SCRDCRAPSA-N 2 1 269.389 -0.054 20 0 CBADMP C[N@H+]1CCC[C@@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)CC1 ZINC001254513647 825965421 /nfs/dbraw/zinc/96/54/21/825965421.db2.gz FHDONBOGYFJRCM-NEPJUHHUSA-N 2 1 265.361 -0.105 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCSC1 ZINC001255269300 825978812 /nfs/dbraw/zinc/97/88/12/825978812.db2.gz BXIZGURWNOFHOW-IUCAKERBSA-N 2 1 274.390 -0.114 20 0 CBADMP C[N@H+]1CC[C@H](N([C@@H]2CCC[NH2+]C2)S(C)(=O)=O)C1 ZINC001255441981 825984374 /nfs/dbraw/zinc/98/43/74/825984374.db2.gz RHYFDOODGAVWEX-MNOVXSKESA-N 2 1 261.391 -0.296 20 0 CBADMP CN1CCN(C)C2(CCN([C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001255431364 825982412 /nfs/dbraw/zinc/98/24/12/825982412.db2.gz JXRCWSLGXXZGTO-ZDUSSCGKSA-N 2 1 280.416 -0.071 20 0 CBADMP CN1CC[C@H]([NH+]2CCC3(CC2)C(=O)N(C)CCN3C)C1 ZINC001255431364 825982418 /nfs/dbraw/zinc/98/24/18/825982418.db2.gz JXRCWSLGXXZGTO-ZDUSSCGKSA-N 2 1 280.416 -0.071 20 0 CBADMP CN1CC[N@H+](C)C2(CCN([C@H]3CC[NH+](C)C3)CC2)C1=O ZINC001255431364 825982429 /nfs/dbraw/zinc/98/24/29/825982429.db2.gz JXRCWSLGXXZGTO-ZDUSSCGKSA-N 2 1 280.416 -0.071 20 0 CBADMP CN1CC[N@@H+](C)C2(CCN([C@H]3CC[NH+](C)C3)CC2)C1=O ZINC001255431364 825982432 /nfs/dbraw/zinc/98/24/32/825982432.db2.gz JXRCWSLGXXZGTO-ZDUSSCGKSA-N 2 1 280.416 -0.071 20 0 CBADMP CN1CC[NH+](C)C2(CCN([C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001255431364 825982437 /nfs/dbraw/zinc/98/24/37/825982437.db2.gz JXRCWSLGXXZGTO-ZDUSSCGKSA-N 2 1 280.416 -0.071 20 0 CBADMP CN1CC[NH+](C)C2(CCN([C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001255431364 825982441 /nfs/dbraw/zinc/98/24/41/825982441.db2.gz JXRCWSLGXXZGTO-ZDUSSCGKSA-N 2 1 280.416 -0.071 20 0 CBADMP C[NH+](C)CCN1CCN([C@@H]2CC[N@@H+](C)C2)CCC1=O ZINC001255439363 825982560 /nfs/dbraw/zinc/98/25/60/825982560.db2.gz SZJSYLYPSJXLOS-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP C[N@H+]1CCC[C@@H](NCCC[NH+](CCO)CCO)C1 ZINC001255468420 825983815 /nfs/dbraw/zinc/98/38/15/825983815.db2.gz TZBMOGNAPGGHKF-CYBMUJFWSA-N 2 1 259.394 -0.653 20 0 CBADMP C[NH+]1CCC([NH2+]CCCN2CCS(=O)(=O)CC2)CC1 ZINC001256200011 826004284 /nfs/dbraw/zinc/00/42/84/826004284.db2.gz JFTFRIFQCGLCBX-UHFFFAOYSA-N 2 1 289.445 -0.209 20 0 CBADMP [NH3+][C@@H](CO)Cc1c[nH+]cn1C1CCS(=O)(=O)CC1 ZINC001256380301 826020357 /nfs/dbraw/zinc/02/03/57/826020357.db2.gz SXZNSIOHEIMKNK-SECBINFHSA-N 2 1 273.358 -0.505 20 0 CBADMP CC(C)(C)[NH+]1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001256565417 826025254 /nfs/dbraw/zinc/02/52/54/826025254.db2.gz ACNQLCFWJPOOQC-RWMBFGLXSA-N 2 1 282.436 -0.758 20 0 CBADMP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)Cn1cccn1 ZINC001261482190 826521030 /nfs/dbraw/zinc/52/10/30/826521030.db2.gz DCKYKQRNWJRFAH-AWEZNQCLSA-N 2 1 282.388 -0.320 20 0 CBADMP O=C(C[N@@H+]1CCCC[C@H]1CCO)N1CC[NH2+]CC1 ZINC001261642951 826552681 /nfs/dbraw/zinc/55/26/81/826552681.db2.gz ZZBCUTADGCUEGR-LBPRGKRZSA-N 2 1 255.362 -0.345 20 0 CBADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])CC[N@H+]1C ZINC001261644568 826553808 /nfs/dbraw/zinc/55/38/08/826553808.db2.gz FCLVYYNREQIFBG-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP Cn1cncc1CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001262031337 826625964 /nfs/dbraw/zinc/62/59/64/826625964.db2.gz ODOHJBZYFZEVLW-AWEZNQCLSA-N 2 1 263.389 -0.058 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001262062717 826629505 /nfs/dbraw/zinc/62/95/05/826629505.db2.gz FYVPJNWLTDWEBU-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001262073497 826632738 /nfs/dbraw/zinc/63/27/38/826632738.db2.gz TWKZMTKAHDCAFQ-AXFHLTTASA-N 2 1 268.361 -0.950 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001262160697 826646044 /nfs/dbraw/zinc/64/60/44/826646044.db2.gz MPVBWQHZTFWCBU-HZSPNIEDSA-N 3 1 252.406 -0.179 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001262171848 826648143 /nfs/dbraw/zinc/64/81/43/826648143.db2.gz IWJAPYNGGBVMLW-LBPRGKRZSA-N 2 1 266.389 -0.604 20 0 CBADMP C[C@H](C[NH2+]CC1(O)CC[NH+](C)CC1)S(C)(=O)=O ZINC001262567263 826709759 /nfs/dbraw/zinc/70/97/59/826709759.db2.gz NRVWXIFQULCDPP-SNVBAGLBSA-N 2 1 264.391 -0.534 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001262600767 826717282 /nfs/dbraw/zinc/71/72/82/826717282.db2.gz LJKIDYLZEZSGQY-CKYFFXLPSA-N 2 1 256.350 -0.911 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC[C@@H]1[NH3+] ZINC001263063470 826731780 /nfs/dbraw/zinc/73/17/80/826731780.db2.gz VYYOTDNMXJKYCE-VOAKCMCISA-N 2 1 266.389 -0.430 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)O)C1 ZINC001263095726 826736325 /nfs/dbraw/zinc/73/63/25/826736325.db2.gz UXULYUMXEIGVEQ-WDEREUQCSA-N 2 1 257.378 -0.067 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001263102290 826738023 /nfs/dbraw/zinc/73/80/23/826738023.db2.gz QHVCUBZVESIZFK-FRRDWIJNSA-N 2 1 269.389 -0.074 20 0 CBADMP C[N@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001263105085 826738427 /nfs/dbraw/zinc/73/84/27/826738427.db2.gz FCQRYOCWJXDLJN-OCCSQVGLSA-N 2 1 267.373 -0.223 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2C[NH2+]1 ZINC001263175196 826749008 /nfs/dbraw/zinc/74/90/08/826749008.db2.gz VYFUPOCMGSSIIV-OPRDCNLKSA-N 2 1 263.345 -0.158 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001263245900 826757999 /nfs/dbraw/zinc/75/79/99/826757999.db2.gz ZMGBZGAQNNZXPJ-LBPRGKRZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001263245900 826758001 /nfs/dbraw/zinc/75/80/01/826758001.db2.gz ZMGBZGAQNNZXPJ-LBPRGKRZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@@H](CO)C1 ZINC001263306086 826762956 /nfs/dbraw/zinc/76/29/56/826762956.db2.gz PIXYNTDPMITOCO-MBNYWOFBSA-N 2 1 267.373 -0.489 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@@H](CO)C1 ZINC001263306086 826762959 /nfs/dbraw/zinc/76/29/59/826762959.db2.gz PIXYNTDPMITOCO-MBNYWOFBSA-N 2 1 267.373 -0.489 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001263324624 826763373 /nfs/dbraw/zinc/76/33/73/826763373.db2.gz YLWPWGPTMDRMID-IJLUTSLNSA-N 2 1 264.373 -0.757 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1C[NH2+]CC12CC2 ZINC001263324626 826764190 /nfs/dbraw/zinc/76/41/90/826764190.db2.gz YLWPWGPTMDRMID-WOPDTQHZSA-N 2 1 264.373 -0.757 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCO)[C@@H]1C)[NH+](C)C ZINC001264169645 826799670 /nfs/dbraw/zinc/79/96/70/826799670.db2.gz PYEZXGBNYFGAGD-WOPDTQHZSA-N 2 1 257.378 -0.102 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCOCCO ZINC001264172797 826799631 /nfs/dbraw/zinc/79/96/31/826799631.db2.gz QURJBCWUFJBKOU-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCOCCO ZINC001264172797 826799639 /nfs/dbraw/zinc/79/96/39/826799639.db2.gz QURJBCWUFJBKOU-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCOCCO ZINC001264172797 826799644 /nfs/dbraw/zinc/79/96/44/826799644.db2.gz QURJBCWUFJBKOU-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCO)[C@@H]1C)[NH+](C)C ZINC001264169644 826799738 /nfs/dbraw/zinc/79/97/38/826799738.db2.gz PYEZXGBNYFGAGD-GRYCIOLGSA-N 2 1 257.378 -0.102 20 0 CBADMP COCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001264416696 826808724 /nfs/dbraw/zinc/80/87/24/826808724.db2.gz DFYHYAYJSRKVSR-JHJVBQTASA-N 2 1 285.388 -0.552 20 0 CBADMP COCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001264416696 826808736 /nfs/dbraw/zinc/80/87/36/826808736.db2.gz DFYHYAYJSRKVSR-JHJVBQTASA-N 2 1 285.388 -0.552 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CC(N)=O ZINC001265000805 826831966 /nfs/dbraw/zinc/83/19/66/826831966.db2.gz FDBOKUSRUDPLGB-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)CC(N)=O ZINC001265000805 826831980 /nfs/dbraw/zinc/83/19/80/826831980.db2.gz FDBOKUSRUDPLGB-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)CC(N)=O ZINC001265000805 826831994 /nfs/dbraw/zinc/83/19/94/826831994.db2.gz FDBOKUSRUDPLGB-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH+](C)[C@H]1CCN(C)C1=O ZINC001265072872 826845731 /nfs/dbraw/zinc/84/57/31/826845731.db2.gz IGFFCLAURMQUTR-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001265072872 826845743 /nfs/dbraw/zinc/84/57/43/826845743.db2.gz IGFFCLAURMQUTR-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001265072872 826845751 /nfs/dbraw/zinc/84/57/51/826845751.db2.gz IGFFCLAURMQUTR-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]([NH2+]CCO)C1CC1 ZINC001265363430 826885382 /nfs/dbraw/zinc/88/53/82/826885382.db2.gz BSMOCTDQYUHQMU-LBPRGKRZSA-N 2 1 266.345 -0.332 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]CCCO)C2CC2)C1 ZINC001265380499 826888316 /nfs/dbraw/zinc/88/83/16/826888316.db2.gz OCGCWCPASCRTIG-QWHCGFSZSA-N 2 1 269.389 -0.195 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCOC)C2)C1 ZINC001265459620 826894933 /nfs/dbraw/zinc/89/49/33/826894933.db2.gz GNRRXFSSHQMTBI-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCOC)C2)C1 ZINC001265459620 826894941 /nfs/dbraw/zinc/89/49/41/826894941.db2.gz GNRRXFSSHQMTBI-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001265458318 826895487 /nfs/dbraw/zinc/89/54/87/826895487.db2.gz RTNAUVMLLHLEFX-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001265849397 826929126 /nfs/dbraw/zinc/92/91/26/826929126.db2.gz WOFMXJFWYLUFKW-VHSXEESVSA-N 2 1 258.366 -0.704 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCOCCO)C2)C1 ZINC001265502921 826900057 /nfs/dbraw/zinc/90/00/57/826900057.db2.gz CPFAUTCBLBUZTK-MGPQQGTHSA-N 2 1 299.415 -0.426 20 0 CBADMP 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 826911147 /nfs/dbraw/zinc/91/11/47/826911147.db2.gz UJVNNDZSASAFGX-BNDIWNMDSA-N 2 1 269.389 -0.246 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001265849398 826929153 /nfs/dbraw/zinc/92/91/53/826929153.db2.gz WOFMXJFWYLUFKW-ZJUUUORDSA-N 2 1 258.366 -0.704 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001265912098 826937109 /nfs/dbraw/zinc/93/71/09/826937109.db2.gz NRLUQCMMIYJIHE-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC(N)=O ZINC001265936736 826940499 /nfs/dbraw/zinc/94/04/99/826940499.db2.gz FZUZQPXTQYKUJV-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)CC(N)=O ZINC001265936736 826940504 /nfs/dbraw/zinc/94/05/04/826940504.db2.gz FZUZQPXTQYKUJV-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)CC(N)=O ZINC001265936736 826940506 /nfs/dbraw/zinc/94/05/06/826940506.db2.gz FZUZQPXTQYKUJV-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001265971752 826945243 /nfs/dbraw/zinc/94/52/43/826945243.db2.gz ZFJCYDBLXGVTHF-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001265971752 826945247 /nfs/dbraw/zinc/94/52/47/826945247.db2.gz ZFJCYDBLXGVTHF-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001265971752 826945253 /nfs/dbraw/zinc/94/52/53/826945253.db2.gz ZFJCYDBLXGVTHF-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP CC[N@@H+](CCO)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001266028125 826948574 /nfs/dbraw/zinc/94/85/74/826948574.db2.gz JJMWQTWPRBCDQM-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](CCO)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001266028125 826948576 /nfs/dbraw/zinc/94/85/76/826948576.db2.gz JJMWQTWPRBCDQM-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](CCO)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001266028125 826948580 /nfs/dbraw/zinc/94/85/80/826948580.db2.gz JJMWQTWPRBCDQM-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC001266236794 826962203 /nfs/dbraw/zinc/96/22/03/826962203.db2.gz NQKCCYIZAUKDFH-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001266262884 826966975 /nfs/dbraw/zinc/96/69/75/826966975.db2.gz WBKYDQWUWCNEDR-QWRGUYRKSA-N 2 1 268.361 -0.983 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001266262884 826966978 /nfs/dbraw/zinc/96/69/78/826966978.db2.gz WBKYDQWUWCNEDR-QWRGUYRKSA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCNC1=O ZINC001266262884 826966981 /nfs/dbraw/zinc/96/69/81/826966981.db2.gz WBKYDQWUWCNEDR-QWRGUYRKSA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCNC1=O ZINC001266262884 826966983 /nfs/dbraw/zinc/96/69/83/826966983.db2.gz WBKYDQWUWCNEDR-QWRGUYRKSA-N 2 1 268.361 -0.983 20 0 CBADMP C[C@@H](O)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001266584775 827027763 /nfs/dbraw/zinc/02/77/63/827027763.db2.gz MEOLTWDPJOKXME-SYQHCUMBSA-N 2 1 299.415 -0.285 20 0 CBADMP C[C@@H](O)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001266584775 827027774 /nfs/dbraw/zinc/02/77/74/827027774.db2.gz MEOLTWDPJOKXME-SYQHCUMBSA-N 2 1 299.415 -0.285 20 0 CBADMP CN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001266660961 827042477 /nfs/dbraw/zinc/04/24/77/827042477.db2.gz YBTZIVYRKJXDPB-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP CCNC(=O)C[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001266777222 827067571 /nfs/dbraw/zinc/06/75/71/827067571.db2.gz WBDPVIFWOFXMMM-UHFFFAOYSA-N 2 1 281.360 -0.624 20 0 CBADMP C[C@H](O)C[NH2+]CCN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001267017836 827107841 /nfs/dbraw/zinc/10/78/41/827107841.db2.gz QUVMCZQAWVTHMS-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CCO ZINC001267140317 827117226 /nfs/dbraw/zinc/11/72/26/827117226.db2.gz OEVNRQZLCNHXIM-RYUDHWBXSA-N 2 1 257.378 -0.053 20 0 CBADMP CC[N@@H+](CCCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267255403 827139176 /nfs/dbraw/zinc/13/91/76/827139176.db2.gz GGSBMNDAEILUMF-UHFFFAOYSA-N 2 1 269.389 -0.097 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001267275212 827141861 /nfs/dbraw/zinc/14/18/61/827141861.db2.gz UZCPANLFJXKKBB-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CCO ZINC001267282964 827142414 /nfs/dbraw/zinc/14/24/14/827142414.db2.gz ZESBKFBIHIEPNE-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1CCO ZINC001267282964 827142415 /nfs/dbraw/zinc/14/24/15/827142415.db2.gz ZESBKFBIHIEPNE-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001267282964 827142416 /nfs/dbraw/zinc/14/24/16/827142416.db2.gz ZESBKFBIHIEPNE-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCOCCO)C1 ZINC001267299058 827144825 /nfs/dbraw/zinc/14/48/25/827144825.db2.gz WLJCKHXHQGHJGI-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCOCCO)C1 ZINC001267299058 827144826 /nfs/dbraw/zinc/14/48/26/827144826.db2.gz WLJCKHXHQGHJGI-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001267299058 827144831 /nfs/dbraw/zinc/14/48/31/827144831.db2.gz WLJCKHXHQGHJGI-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001267300087 827145917 /nfs/dbraw/zinc/14/59/17/827145917.db2.gz KKHYPGXTAAWXTL-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001267354875 827156437 /nfs/dbraw/zinc/15/64/37/827156437.db2.gz AUPBPBQMJPMRQM-GHMZBOCLSA-N 2 1 268.361 -0.983 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2ncnn2C)CC[N@@H+]1C ZINC001267375059 827161765 /nfs/dbraw/zinc/16/17/65/827161765.db2.gz STMHCQJMFLQCNQ-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2ncnn2C)CC[N@H+]1C ZINC001267375059 827161769 /nfs/dbraw/zinc/16/17/69/827161769.db2.gz STMHCQJMFLQCNQ-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001267393324 827164055 /nfs/dbraw/zinc/16/40/55/827164055.db2.gz BNIGSHKMBURGHH-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001267428937 827169643 /nfs/dbraw/zinc/16/96/43/827169643.db2.gz HHZXFWLZEGDKKB-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP C[C@@H](O)C[NH2+]CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001267440743 827171234 /nfs/dbraw/zinc/17/12/34/827171234.db2.gz DPKBRXINODPREE-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]C[C@@H](C)OC)C1 ZINC001267471257 827175911 /nfs/dbraw/zinc/17/59/11/827175911.db2.gz ANUABFXUOOYLOY-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]C[C@@H](C)OC)C1 ZINC001267471257 827175915 /nfs/dbraw/zinc/17/59/15/827175915.db2.gz ANUABFXUOOYLOY-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCOCCO)C2)C1 ZINC001267754131 827216280 /nfs/dbraw/zinc/21/62/80/827216280.db2.gz BJKTUWJAQRQBCS-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CCOCCO)C2)C1 ZINC001267754131 827216288 /nfs/dbraw/zinc/21/62/88/827216288.db2.gz BJKTUWJAQRQBCS-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C2)C1 ZINC001267754131 827216295 /nfs/dbraw/zinc/21/62/95/827216295.db2.gz BJKTUWJAQRQBCS-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]CC(N)=O ZINC001267828792 827227525 /nfs/dbraw/zinc/22/75/25/827227525.db2.gz GYTZHMNQSUVRFB-SNVBAGLBSA-N 2 1 267.333 -0.839 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]CCF ZINC001267983796 827237543 /nfs/dbraw/zinc/23/75/43/827237543.db2.gz LMANASMFDGCXNS-GHMZBOCLSA-N 2 1 261.341 -0.372 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]CCF ZINC001267983796 827237551 /nfs/dbraw/zinc/23/75/51/827237551.db2.gz LMANASMFDGCXNS-GHMZBOCLSA-N 2 1 261.341 -0.372 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCOCCO)C2)C1 ZINC001268235767 827266376 /nfs/dbraw/zinc/26/63/76/827266376.db2.gz PFNZFYGDFORMMB-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CCOCCO)C2)C1 ZINC001268235767 827266378 /nfs/dbraw/zinc/26/63/78/827266378.db2.gz PFNZFYGDFORMMB-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CCOCCO)C2)C1 ZINC001268235767 827266385 /nfs/dbraw/zinc/26/63/85/827266385.db2.gz PFNZFYGDFORMMB-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP CCCC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001268334000 827308222 /nfs/dbraw/zinc/30/82/22/827308222.db2.gz IZNWYHZMCIUONJ-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP CCCC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001268334000 827308231 /nfs/dbraw/zinc/30/82/31/827308231.db2.gz IZNWYHZMCIUONJ-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@H](CC[NH2+]Cc1cnnn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268349373 827313416 /nfs/dbraw/zinc/31/34/16/827313416.db2.gz JRDNQKAHNVUYKU-DGCLKSJQSA-N 2 1 294.403 -0.106 20 0 CBADMP CCN(CC[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268438446 827328918 /nfs/dbraw/zinc/32/89/18/827328918.db2.gz HIFVVADVXXDEMV-CYBMUJFWSA-N 2 1 294.403 -0.153 20 0 CBADMP CCN(CC[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001268438446 827328931 /nfs/dbraw/zinc/32/89/31/827328931.db2.gz HIFVVADVXXDEMV-CYBMUJFWSA-N 2 1 294.403 -0.153 20 0 CBADMP C[C@H](O)CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001268484658 827340258 /nfs/dbraw/zinc/34/02/58/827340258.db2.gz KIPAPPPULDWCHZ-NWDGAFQWSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](O)CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001268484658 827340268 /nfs/dbraw/zinc/34/02/68/827340268.db2.gz KIPAPPPULDWCHZ-NWDGAFQWSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H](O)CCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001268484657 827341173 /nfs/dbraw/zinc/34/11/73/827341173.db2.gz KIPAPPPULDWCHZ-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H](O)CCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001268484657 827341185 /nfs/dbraw/zinc/34/11/85/827341185.db2.gz KIPAPPPULDWCHZ-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@@H+](CC(=O)NC/C=C/C[NH2+]CCO)C1CCC1 ZINC001268549477 827362942 /nfs/dbraw/zinc/36/29/42/827362942.db2.gz GUVZDHRLNVSUIF-NSCUHMNNSA-N 2 1 255.362 -0.275 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC/C=C/C[NH2+]C[C@H](C)O ZINC001268568807 827367233 /nfs/dbraw/zinc/36/72/33/827367233.db2.gz ZSBHJQJKEGAQHW-PCAWENJQSA-N 2 1 266.345 -0.166 20 0 CBADMP C[C@H](C[NH2+]CCOCCO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001268640176 827388750 /nfs/dbraw/zinc/38/87/50/827388750.db2.gz SBCZYPRUMVCMLE-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCO ZINC001268689031 827403707 /nfs/dbraw/zinc/40/37/07/827403707.db2.gz NPPGRPFEKBGZGE-NWDGAFQWSA-N 2 1 257.378 -0.053 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001268717119 827410055 /nfs/dbraw/zinc/41/00/55/827410055.db2.gz RCHOBWICPSSDNM-UWVGGRQHSA-N 2 1 258.366 -0.705 20 0 CBADMP CN(CCC[NH2+]CCCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268785978 827422381 /nfs/dbraw/zinc/42/23/81/827422381.db2.gz JUAFVMKYPLJSKZ-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CN(CCC[NH2+]CCCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268785978 827422385 /nfs/dbraw/zinc/42/23/85/827422385.db2.gz JUAFVMKYPLJSKZ-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CN(CCC[NH2+]CC(N)=O)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001268800580 827423793 /nfs/dbraw/zinc/42/37/93/827423793.db2.gz PGEYDMWODLVRBH-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP CN(CCC[NH2+]CC(N)=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001268810154 827424628 /nfs/dbraw/zinc/42/46/28/827424628.db2.gz BBVJMSIYCXAVBK-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001268958466 827445203 /nfs/dbraw/zinc/44/52/03/827445203.db2.gz KULZGUJEDYXBJF-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCCO)C1CC1 ZINC001269051229 827456972 /nfs/dbraw/zinc/45/69/72/827456972.db2.gz PKTFBBQSGKHXMS-CHWSQXEVSA-N 2 1 269.389 -0.053 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C[C@@H](C)O)CC1 ZINC001269544336 827517775 /nfs/dbraw/zinc/51/77/75/827517775.db2.gz BYKCXOYCVMLPPP-LLVKDONJSA-N 2 1 257.378 -0.054 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CCO)C2)C1 ZINC001269712391 827524880 /nfs/dbraw/zinc/52/48/80/827524880.db2.gz PIEDNEQFMUFEMI-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CCO)C2)C1 ZINC001269712391 827524885 /nfs/dbraw/zinc/52/48/85/827524885.db2.gz PIEDNEQFMUFEMI-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]CCO ZINC001270436882 827568536 /nfs/dbraw/zinc/56/85/36/827568536.db2.gz SOFRZUCDIJFJKU-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]CCO ZINC001270436880 827568772 /nfs/dbraw/zinc/56/87/72/827568772.db2.gz SOFRZUCDIJFJKU-NEPJUHHUSA-N 2 1 257.378 -0.195 20 0 CBADMP COCCC[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001270674233 827588209 /nfs/dbraw/zinc/58/82/09/827588209.db2.gz NAWSXCJTRVBRDO-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP COCCC[N@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001270674233 827588217 /nfs/dbraw/zinc/58/82/17/827588217.db2.gz NAWSXCJTRVBRDO-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP COCCC[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001270674234 827588796 /nfs/dbraw/zinc/58/87/96/827588796.db2.gz NAWSXCJTRVBRDO-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP COCCC[N@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001270674234 827588799 /nfs/dbraw/zinc/58/87/99/827588799.db2.gz NAWSXCJTRVBRDO-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001270978068 827612229 /nfs/dbraw/zinc/61/22/29/827612229.db2.gz UIXXNDUFHKRYFW-LLVKDONJSA-N 2 1 253.346 -0.519 20 0 CBADMP C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001270978068 827612231 /nfs/dbraw/zinc/61/22/31/827612231.db2.gz UIXXNDUFHKRYFW-LLVKDONJSA-N 2 1 253.346 -0.519 20 0 CBADMP C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001270978068 827612232 /nfs/dbraw/zinc/61/22/32/827612232.db2.gz UIXXNDUFHKRYFW-LLVKDONJSA-N 2 1 253.346 -0.519 20 0 CBADMP C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001270978068 827612234 /nfs/dbraw/zinc/61/22/34/827612234.db2.gz UIXXNDUFHKRYFW-LLVKDONJSA-N 2 1 253.346 -0.519 20 0 CBADMP CC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(=O)N(C)C)C2 ZINC001271081415 827619749 /nfs/dbraw/zinc/61/97/49/827619749.db2.gz QSNPYBGWTPFLLN-UHFFFAOYSA-N 2 1 296.415 -0.439 20 0 CBADMP CC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC(=O)N(C)C)C2 ZINC001271081415 827619753 /nfs/dbraw/zinc/61/97/53/827619753.db2.gz QSNPYBGWTPFLLN-UHFFFAOYSA-N 2 1 296.415 -0.439 20 0 CBADMP CC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC(=O)N(C)C)C2 ZINC001271081415 827619755 /nfs/dbraw/zinc/61/97/55/827619755.db2.gz QSNPYBGWTPFLLN-UHFFFAOYSA-N 2 1 296.415 -0.439 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)C1 ZINC001271223920 827678293 /nfs/dbraw/zinc/67/82/93/827678293.db2.gz WIMIJVQMWQMFLR-SDDRHHMPSA-N 2 1 253.346 -0.521 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@H](C2)O3)C1 ZINC001271223920 827678282 /nfs/dbraw/zinc/67/82/82/827678282.db2.gz WIMIJVQMWQMFLR-SDDRHHMPSA-N 2 1 253.346 -0.521 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@H](C2)O3)C1 ZINC001271223920 827678286 /nfs/dbraw/zinc/67/82/86/827678286.db2.gz WIMIJVQMWQMFLR-SDDRHHMPSA-N 2 1 253.346 -0.521 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)C1 ZINC001271223920 827678290 /nfs/dbraw/zinc/67/82/90/827678290.db2.gz WIMIJVQMWQMFLR-SDDRHHMPSA-N 2 1 253.346 -0.521 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC(N)=O ZINC001271493719 827705237 /nfs/dbraw/zinc/70/52/37/827705237.db2.gz CXLBCRJCNKREBG-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC(N)=O ZINC001271493717 827705661 /nfs/dbraw/zinc/70/56/61/827705661.db2.gz CXLBCRJCNKREBG-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC(N)=O)C1 ZINC001271610343 827714638 /nfs/dbraw/zinc/71/46/38/827714638.db2.gz VYZPCMMUAXWDJA-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1C[C@@H]2CCN(C(=O)C3(O)CC[NH+](C)CC3)[C@@H]2C1 ZINC001271800854 827727411 /nfs/dbraw/zinc/72/74/11/827727411.db2.gz CIXKVFBJFJFDMM-NWDGAFQWSA-N 2 1 267.373 -0.394 20 0 CBADMP CC[NH+]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](C)C3)CC1 ZINC001271905252 827734206 /nfs/dbraw/zinc/73/42/06/827734206.db2.gz KYPOOKZWVQCREE-UHFFFAOYSA-N 2 1 280.416 -0.212 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]CC2CC2)C1 ZINC001272315699 827780801 /nfs/dbraw/zinc/78/08/01/827780801.db2.gz UEEIYBXEXXEGQR-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]CC2CC2)C1 ZINC001272315699 827780803 /nfs/dbraw/zinc/78/08/03/827780803.db2.gz UEEIYBXEXXEGQR-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)C[NH2+]CCF ZINC001272444550 827799239 /nfs/dbraw/zinc/79/92/39/827799239.db2.gz VXQJGMZRDUAJJM-NEPJUHHUSA-N 2 1 275.368 -0.103 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)C[NH2+]CCF ZINC001272444552 827799455 /nfs/dbraw/zinc/79/94/55/827799455.db2.gz VXQJGMZRDUAJJM-RYUDHWBXSA-N 2 1 275.368 -0.103 20 0 CBADMP CCC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001272558748 827820353 /nfs/dbraw/zinc/82/03/53/827820353.db2.gz BFNCCDFCDPNMDX-NEPJUHHUSA-N 2 1 257.378 -0.195 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)C1 ZINC001272614226 827828094 /nfs/dbraw/zinc/82/80/94/827828094.db2.gz URZSIKQOGJKGDX-MPZDIEGVSA-N 2 1 267.373 -0.132 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)C1 ZINC001272614226 827828101 /nfs/dbraw/zinc/82/81/01/827828101.db2.gz URZSIKQOGJKGDX-MPZDIEGVSA-N 2 1 267.373 -0.132 20 0 CBADMP CN1CC2(C[NH+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030784 827856159 /nfs/dbraw/zinc/85/61/59/827856159.db2.gz OCPNWPZZELBESF-UHFFFAOYSA-N 2 1 253.346 -0.471 20 0 CBADMP C[NH+]1CC2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001273069638 827860038 /nfs/dbraw/zinc/86/00/38/827860038.db2.gz LUNIJGLNZGSAGM-GFCCVEGCSA-N 2 1 267.373 -0.393 20 0 CBADMP C[NH+]1CC2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001273069638 827860029 /nfs/dbraw/zinc/86/00/29/827860029.db2.gz LUNIJGLNZGSAGM-GFCCVEGCSA-N 2 1 267.373 -0.393 20 0 CBADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001273070174 827862159 /nfs/dbraw/zinc/86/21/59/827862159.db2.gz ULVYPRHGCCLMEY-PSEXLTFBSA-N 2 1 267.373 -0.206 20 0 CBADMP CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@H]1CCC[N@H+]1C ZINC001273298488 827887257 /nfs/dbraw/zinc/88/72/57/827887257.db2.gz QRYXFECXYXGWMP-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP COCCC[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273475473 827903040 /nfs/dbraw/zinc/90/30/40/827903040.db2.gz URIZTIVIOQYJPM-UHFFFAOYSA-N 2 1 285.388 -0.502 20 0 CBADMP COCCCC[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273525318 827909388 /nfs/dbraw/zinc/90/93/88/827909388.db2.gz GGFRIVLDLFGSDK-UHFFFAOYSA-N 2 1 299.415 -0.112 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273703244 827920115 /nfs/dbraw/zinc/92/01/15/827920115.db2.gz DQXLPCIODATJNK-IUODEOHRSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC1CC1 ZINC001273912205 827941626 /nfs/dbraw/zinc/94/16/26/827941626.db2.gz WYCRGVALIKPUGW-XQJDBVBESA-N 2 1 294.399 -0.379 20 0 CBADMP CC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274551941 827997615 /nfs/dbraw/zinc/99/76/15/827997615.db2.gz CXDBNFHJOVSXNH-UKRRQHHQSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274553724 827998025 /nfs/dbraw/zinc/99/80/25/827998025.db2.gz ZHQMUFPLACAXKG-GFCCVEGCSA-N 2 1 285.388 -0.768 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001274607935 828008418 /nfs/dbraw/zinc/00/84/18/828008418.db2.gz BIGUWVASETYXHR-XVGAQQEPSA-N 2 1 282.388 -0.394 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)C[N@@H+](C)C(C)C ZINC001274608131 828009039 /nfs/dbraw/zinc/00/90/39/828009039.db2.gz DMVIIVGYOHMOQS-NNNHXZLVSA-N 2 1 284.404 -0.277 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001274642756 828016394 /nfs/dbraw/zinc/01/63/94/828016394.db2.gz HFEALVUBIJNDPJ-BFHYXJOUSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CCO ZINC001274731987 828025785 /nfs/dbraw/zinc/02/57/85/828025785.db2.gz NUNDZBVBNPNJOS-NSHDSACASA-N 2 1 257.378 -0.053 20 0 CBADMP CCOC(=O)CC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001274933898 828043299 /nfs/dbraw/zinc/04/32/99/828043299.db2.gz OGJSMLIOHHLRTL-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001274981058 828046504 /nfs/dbraw/zinc/04/65/04/828046504.db2.gz XNALXXDHWMTOBA-VXGBXAGGSA-N 2 1 267.373 -0.225 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001275172825 828062929 /nfs/dbraw/zinc/06/29/29/828062929.db2.gz WLDZMQGHMHBXCQ-KKUMJFAQSA-N 2 1 283.416 -0.031 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@@H+]2C[C@H]1CCOC1 ZINC001275170883 828063416 /nfs/dbraw/zinc/06/34/16/828063416.db2.gz FLNDTKPEZWATEY-KFWWJZLASA-N 2 1 283.416 -0.031 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@H+]2C[C@H]1CCOC1 ZINC001275170883 828063421 /nfs/dbraw/zinc/06/34/21/828063421.db2.gz FLNDTKPEZWATEY-KFWWJZLASA-N 2 1 283.416 -0.031 20 0 CBADMP CN(C)C(=O)C[NH+]1CC2(C1)CC[NH+](CC(=O)N(C)C)CC2 ZINC001275198784 828066370 /nfs/dbraw/zinc/06/63/70/828066370.db2.gz AUFWZMGZCGVVLD-UHFFFAOYSA-N 2 1 296.415 -0.439 20 0 CBADMP C[C@@H](C[NH2+]CCn1cncn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001275309656 828077244 /nfs/dbraw/zinc/07/72/44/828077244.db2.gz GUIHWJUTEDBHDP-STQMWFEESA-N 2 1 294.403 -0.286 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]CCO)C2)C1 ZINC001275324042 828077872 /nfs/dbraw/zinc/07/78/72/828077872.db2.gz PWVSSTOLSNWQSI-MOENNCHZSA-N 2 1 255.362 -0.585 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CCOCCO ZINC001276002254 828129541 /nfs/dbraw/zinc/12/95/41/828129541.db2.gz JSINLDVKZHCKTK-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CCOCCO ZINC001276002254 828129542 /nfs/dbraw/zinc/12/95/42/828129542.db2.gz JSINLDVKZHCKTK-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CCOCCO ZINC001276002254 828129544 /nfs/dbraw/zinc/12/95/44/828129544.db2.gz JSINLDVKZHCKTK-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001276047700 828131896 /nfs/dbraw/zinc/13/18/96/828131896.db2.gz FCYMDLYVTYBBSK-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC001276076298 828133037 /nfs/dbraw/zinc/13/30/37/828133037.db2.gz NATFOGQUYKJRND-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001276076300 828133252 /nfs/dbraw/zinc/13/32/52/828133252.db2.gz NATFOGQUYKJRND-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+]1CC(CCO)(NC(=O)CC[NH+](C)C)C1 ZINC001276083074 828133867 /nfs/dbraw/zinc/13/38/67/828133867.db2.gz RJJCJEFWTMRLOU-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1C[NH+](CCO)C1 ZINC001276433739 828146171 /nfs/dbraw/zinc/14/61/71/828146171.db2.gz WICLIRPJFHVZHZ-VXGBXAGGSA-N 2 1 269.389 -0.243 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2C[N@@H+](CCn3ccnc3)C[C@H](C1)O2 ZINC001276463182 828146938 /nfs/dbraw/zinc/14/69/38/828146938.db2.gz DCQWAPOCEHPTKQ-GASCZTMLSA-N 2 1 293.415 -0.170 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](CCn3ccnc3)C[C@H](C1)O2 ZINC001276463182 828146941 /nfs/dbraw/zinc/14/69/41/828146941.db2.gz DCQWAPOCEHPTKQ-GASCZTMLSA-N 2 1 293.415 -0.170 20 0 CBADMP COC(C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12)OC ZINC001276641814 828154321 /nfs/dbraw/zinc/15/43/21/828154321.db2.gz BSHMPSPEKQZMGW-VXGBXAGGSA-N 2 1 297.399 -0.253 20 0 CBADMP C[C@@H](O)CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001277028226 828172690 /nfs/dbraw/zinc/17/26/90/828172690.db2.gz QEXYLSXYCNUDCO-CHWSQXEVSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@@H](O)CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001277028226 828172695 /nfs/dbraw/zinc/17/26/95/828172695.db2.gz QEXYLSXYCNUDCO-CHWSQXEVSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCO)C2)C1 ZINC001277087861 828175075 /nfs/dbraw/zinc/17/50/75/828175075.db2.gz RKOVCFVEBPHFRQ-JHJVBQTASA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCO)C2)C1 ZINC001277087861 828175077 /nfs/dbraw/zinc/17/50/77/828175077.db2.gz RKOVCFVEBPHFRQ-JHJVBQTASA-N 2 1 285.388 -0.816 20 0 CBADMP C[NH+]1CC2(CN(CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001277631413 828199883 /nfs/dbraw/zinc/19/98/83/828199883.db2.gz HXUPUOCYWRKNMD-UHFFFAOYSA-N 2 1 252.362 -0.992 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H]2C1 ZINC001277630642 828199919 /nfs/dbraw/zinc/19/99/19/828199919.db2.gz PQFABTFPVDVZHP-GXTWGEPZSA-N 2 1 280.416 -0.167 20 0 CBADMP CNC(=O)C(C)(C)[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277640298 828200947 /nfs/dbraw/zinc/20/09/47/828200947.db2.gz LAKVCEQDXCKGGM-BETUJISGSA-N 2 1 298.431 -0.542 20 0 CBADMP CNC(=O)C(C)(C)[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277640298 828200953 /nfs/dbraw/zinc/20/09/53/828200953.db2.gz LAKVCEQDXCKGGM-BETUJISGSA-N 2 1 298.431 -0.542 20 0 CBADMP NC(=O)[C@H]1CCn2nccc2C[N@@H+]1CC1CC[NH2+]CC1 ZINC001277822505 828211833 /nfs/dbraw/zinc/21/18/33/828211833.db2.gz UTSYCNMRRNPWLV-CYBMUJFWSA-N 2 1 277.372 -0.058 20 0 CBADMP NC(=O)[C@H]1CCn2nccc2C[N@H+]1CC1CC[NH2+]CC1 ZINC001277822505 828211839 /nfs/dbraw/zinc/21/18/39/828211839.db2.gz UTSYCNMRRNPWLV-CYBMUJFWSA-N 2 1 277.372 -0.058 20 0 CBADMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001277982113 828226048 /nfs/dbraw/zinc/22/60/48/828226048.db2.gz UBEYAZFDPWXKSX-UHFFFAOYSA-N 2 1 268.405 -0.179 20 0 CBADMP C[C@H](CO)C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277999055 828229647 /nfs/dbraw/zinc/22/96/47/828229647.db2.gz XZWSLSNMRCEGRX-IHRRRGAJSA-N 2 1 271.405 -0.439 20 0 CBADMP CC(C)[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001278179661 828257263 /nfs/dbraw/zinc/25/72/63/828257263.db2.gz SVNQJSZBVUOSNN-VXGBXAGGSA-N 2 1 257.378 -0.197 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCO)C1 ZINC001278468982 828272083 /nfs/dbraw/zinc/27/20/83/828272083.db2.gz GGEPKHHMUOGHRG-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCF)CC[N@H+]1C ZINC001278756233 828281908 /nfs/dbraw/zinc/28/19/08/828281908.db2.gz MKMWEKBRLNRPSU-GRYCIOLGSA-N 2 1 275.368 -0.295 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCF)CC[N@H+]1C ZINC001278756234 828282453 /nfs/dbraw/zinc/28/24/53/828282453.db2.gz MKMWEKBRLNRPSU-IJLUTSLNSA-N 2 1 275.368 -0.295 20 0 CBADMP COCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278766724 828285711 /nfs/dbraw/zinc/28/57/11/828285711.db2.gz MJNICGMCVOKHTG-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP COCCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001278766724 828285716 /nfs/dbraw/zinc/28/57/16/828285716.db2.gz MJNICGMCVOKHTG-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP COCCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001278766724 828285722 /nfs/dbraw/zinc/28/57/22/828285722.db2.gz MJNICGMCVOKHTG-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[NH+]1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001278903506 828307816 /nfs/dbraw/zinc/30/78/16/828307816.db2.gz MPAFXSOOGYKSIK-UHFFFAOYSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001279395893 828321602 /nfs/dbraw/zinc/32/16/02/828321602.db2.gz ODIPGFGVKCAHBX-TXEJJXNPSA-N 2 1 255.362 -0.679 20 0 CBADMP Cn1ccnc1CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001347745130 890506473 /nfs/dbraw/zinc/50/64/73/890506473.db2.gz JUIQCQOJMJWASS-GXFFZTMASA-N 2 1 266.345 -0.466 20 0 CBADMP Cn1ccnc1CCNC(=O)[C@@]1(C)C[C@H](O)CN1C ZINC001347745130 890506484 /nfs/dbraw/zinc/50/64/84/890506484.db2.gz JUIQCQOJMJWASS-GXFFZTMASA-N 2 1 266.345 -0.466 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCC[NH+](C)C ZINC001348841915 890713017 /nfs/dbraw/zinc/71/30/17/890713017.db2.gz HXFMNJPKWLTMKN-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)N1CC[NH+](C)CC1 ZINC001349417666 890810335 /nfs/dbraw/zinc/81/03/35/890810335.db2.gz IHMVSISANOEZPX-XQQFMLRXSA-N 2 1 268.405 -0.182 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211369082 884771998 /nfs/dbraw/zinc/77/19/98/884771998.db2.gz BDGWAXLCMDVJMS-VXGBXAGGSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211369082 884772012 /nfs/dbraw/zinc/77/20/12/884772012.db2.gz BDGWAXLCMDVJMS-VXGBXAGGSA-N 2 1 284.404 -0.491 20 0 CBADMP CN1CCN(C(=O)c2csc(C[NH3+])n2)[C@H](C[NH3+])C1 ZINC001326087642 884903681 /nfs/dbraw/zinc/90/36/81/884903681.db2.gz KRKPJZVYVGAKBF-MRVPVSSYSA-N 2 1 269.374 -0.683 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001326959895 885206788 /nfs/dbraw/zinc/20/67/88/885206788.db2.gz YWHCPCYTEGRORR-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC001327087005 885253148 /nfs/dbraw/zinc/25/31/48/885253148.db2.gz JHFOJGSWKDZRRQ-GFCCVEGCSA-N 2 1 282.388 -0.604 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CC1([NH3+])CC1 ZINC001327926796 885531844 /nfs/dbraw/zinc/53/18/44/885531844.db2.gz CFXLATFAVWMIKY-LLVKDONJSA-N 2 1 254.378 -0.380 20 0 CBADMP CN(C)C(=O)[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCN1 ZINC001328398345 885668167 /nfs/dbraw/zinc/66/81/67/885668167.db2.gz JICRYUGOCFHOIS-VXGBXAGGSA-N 2 1 254.378 -0.652 20 0 CBADMP CN(C)C(=O)[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCN1 ZINC001328398345 885668177 /nfs/dbraw/zinc/66/81/77/885668177.db2.gz JICRYUGOCFHOIS-VXGBXAGGSA-N 2 1 254.378 -0.652 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001328437692 885687078 /nfs/dbraw/zinc/68/70/78/885687078.db2.gz RQAHFWSTJLZTMJ-STQMWFEESA-N 2 1 258.362 -0.475 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001328437692 885687089 /nfs/dbraw/zinc/68/70/89/885687089.db2.gz RQAHFWSTJLZTMJ-STQMWFEESA-N 2 1 258.362 -0.475 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC001329937274 886288177 /nfs/dbraw/zinc/28/81/77/886288177.db2.gz LSFKNKCGARZVIL-MNOVXSKESA-N 2 1 252.318 -0.328 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001331947912 887056580 /nfs/dbraw/zinc/05/65/80/887056580.db2.gz JJHTUZHJFOLQGN-QWRGUYRKSA-N 2 1 272.393 -0.314 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC001332334613 887208947 /nfs/dbraw/zinc/20/89/47/887208947.db2.gz NTSVUHKQHBPWLX-NWDGAFQWSA-N 3 1 255.362 -0.586 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC001332334613 887208964 /nfs/dbraw/zinc/20/89/64/887208964.db2.gz NTSVUHKQHBPWLX-NWDGAFQWSA-N 3 1 255.362 -0.586 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001332423546 887275430 /nfs/dbraw/zinc/27/54/30/887275430.db2.gz DVJBEABCTMHAPR-VXGBXAGGSA-N 3 1 254.378 -0.665 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001332423546 887275449 /nfs/dbraw/zinc/27/54/49/887275449.db2.gz DVJBEABCTMHAPR-VXGBXAGGSA-N 3 1 254.378 -0.665 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001332563916 887358463 /nfs/dbraw/zinc/35/84/63/887358463.db2.gz NKKZZFYMSAUHSS-UHFFFAOYSA-N 2 1 268.405 -0.214 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)C1 ZINC001332816569 887437919 /nfs/dbraw/zinc/43/79/19/887437919.db2.gz VGUKJSIOTIZJQU-URBCHYCLSA-N 2 1 267.373 -0.172 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)C1 ZINC001332816561 887438004 /nfs/dbraw/zinc/43/80/04/887438004.db2.gz VGUKJSIOTIZJQU-UKJIMTQDSA-N 2 1 267.373 -0.172 20 0 CBADMP COC[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001334339162 887927599 /nfs/dbraw/zinc/92/75/99/887927599.db2.gz VCZDQALRPMXXBI-NWDGAFQWSA-N 2 1 256.346 -0.288 20 0 CBADMP COC[C@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001334339162 887927607 /nfs/dbraw/zinc/92/76/07/887927607.db2.gz VCZDQALRPMXXBI-NWDGAFQWSA-N 2 1 256.346 -0.288 20 0 CBADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCNCC[NH2+]CC1 ZINC001334763970 888315764 /nfs/dbraw/zinc/31/57/64/888315764.db2.gz VCNPSFISGOUCJY-UONOGXRCSA-N 2 1 268.405 -0.750 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)CC[N@H+]1C ZINC001335207470 888447210 /nfs/dbraw/zinc/44/72/10/888447210.db2.gz RPHBVZTXSWNDNF-VHSXEESVSA-N 2 1 268.361 -0.807 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001335378749 888520912 /nfs/dbraw/zinc/52/09/12/888520912.db2.gz JIQLYEWULTXAGK-QJPTWQEYSA-N 2 1 284.404 -0.267 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)CCCO1 ZINC001335521814 888552674 /nfs/dbraw/zinc/55/26/74/888552674.db2.gz MHCWKRGDJNVGAO-GHMZBOCLSA-N 2 1 251.334 -0.185 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CCCO1 ZINC001335521814 888552685 /nfs/dbraw/zinc/55/26/85/888552685.db2.gz MHCWKRGDJNVGAO-GHMZBOCLSA-N 2 1 251.334 -0.185 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCCCC[NH3+])C[C@]2(C)C1 ZINC001335777581 888626386 /nfs/dbraw/zinc/62/63/86/888626386.db2.gz FYXLQDYGDAJXJB-RISCZKNCSA-N 2 1 282.388 -0.748 20 0 CBADMP O[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]1O ZINC001336279042 888735019 /nfs/dbraw/zinc/73/50/19/888735019.db2.gz YXEIHHRUGXQMMY-QNWHQSFQSA-N 2 1 256.346 -0.818 20 0 CBADMP C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001336738777 888864432 /nfs/dbraw/zinc/86/44/32/888864432.db2.gz DZLVVAWXSXRZBW-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP C[N@H+]1CCCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001336738777 888864448 /nfs/dbraw/zinc/86/44/48/888864448.db2.gz DZLVVAWXSXRZBW-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]([NH3+])C1 ZINC001338518622 889169836 /nfs/dbraw/zinc/16/98/36/889169836.db2.gz KNULONUSNLXQKB-NWDGAFQWSA-N 2 1 269.393 -0.635 20 0 CBADMP C[NH2+]CCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001338627708 889184385 /nfs/dbraw/zinc/18/43/85/889184385.db2.gz XBWFJFOTFWRJRW-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC3=C(CCC(=O)N3)C2)C1 ZINC001339914701 889344650 /nfs/dbraw/zinc/34/46/50/889344650.db2.gz OXVPCOINRRRHNS-DLOVCJGASA-N 2 1 251.330 -0.293 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[C@@H](O)C[NH3+])C1 ZINC001340356381 889424273 /nfs/dbraw/zinc/42/42/73/889424273.db2.gz BYZSYECQVYPAFD-IJLUTSLNSA-N 2 1 255.362 -0.361 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001340527625 889442146 /nfs/dbraw/zinc/44/21/46/889442146.db2.gz QVCNLSHYLFNRFA-BJDJZHNGSA-N 2 1 254.378 -0.383 20 0 CBADMP O=C([C@H]1CSC[NH2+]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340727212 889473844 /nfs/dbraw/zinc/47/38/44/889473844.db2.gz MHHNOYKEGJOOKY-VHSXEESVSA-N 2 1 259.375 -0.778 20 0 CBADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]([NH3+])CO)C1 ZINC001340881930 889504479 /nfs/dbraw/zinc/50/44/79/889504479.db2.gz UNPKBPMYPHVOND-VXGBXAGGSA-N 2 1 255.362 -0.504 20 0 CBADMP CSCC[C@@H]([NH3+])C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001341395473 889590095 /nfs/dbraw/zinc/59/00/95/889590095.db2.gz RNQASJLJRYSKPJ-GFCCVEGCSA-N 2 1 288.461 -0.227 20 0 CBADMP CSCC[C@@H]([NH3+])C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001341395473 889590104 /nfs/dbraw/zinc/59/01/04/889590104.db2.gz RNQASJLJRYSKPJ-GFCCVEGCSA-N 2 1 288.461 -0.227 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+]C[C@@H]2CO)CC[N@H+]1C ZINC001341581406 889625164 /nfs/dbraw/zinc/62/51/64/889625164.db2.gz QQFLBZPYUPBYKC-GRYCIOLGSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@]1(C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H](O)C[NH2+]1 ZINC001341659741 889642623 /nfs/dbraw/zinc/64/26/23/889642623.db2.gz SCNQHEUQVHSCFR-GXTWGEPZSA-N 2 1 267.373 -0.347 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001443810934 912277703 /nfs/dbraw/zinc/27/77/03/912277703.db2.gz GKJHDBPIQMGRMG-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001443810934 912277721 /nfs/dbraw/zinc/27/77/21/912277721.db2.gz GKJHDBPIQMGRMG-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP COCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001443837660 912283684 /nfs/dbraw/zinc/28/36/84/912283684.db2.gz GBLBCILDIOIUON-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP COCC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001443837660 912283699 /nfs/dbraw/zinc/28/36/99/912283699.db2.gz GBLBCILDIOIUON-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H](C)C(N)=O ZINC001443941013 912310154 /nfs/dbraw/zinc/31/01/54/912310154.db2.gz YQANOEJKGLMXEJ-GHMZBOCLSA-N 2 1 284.404 -0.171 20 0 CBADMP [NH3+]C1CC(CC(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001342461708 889782157 /nfs/dbraw/zinc/78/21/57/889782157.db2.gz MNGASRIUKRDCBX-UHFFFAOYSA-N 3 1 254.378 -0.347 20 0 CBADMP [NH3+]CCCC(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001342557360 889792168 /nfs/dbraw/zinc/79/21/68/889792168.db2.gz WYESCWBRBRXBRZ-ZDUSSCGKSA-N 2 1 263.345 -0.278 20 0 CBADMP CN[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)c1cnn(C)c1 ZINC001342650824 889809758 /nfs/dbraw/zinc/80/97/58/889809758.db2.gz UYQFSTZYMLILOL-WCQGTBRESA-N 2 1 265.361 -0.111 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)c1cnn(C)c1 ZINC001342650824 889809773 /nfs/dbraw/zinc/80/97/73/889809773.db2.gz UYQFSTZYMLILOL-WCQGTBRESA-N 2 1 265.361 -0.111 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001343394438 889899826 /nfs/dbraw/zinc/89/98/26/889899826.db2.gz ZEMBQFDNPNOUBB-YPMHNXCESA-N 2 1 255.362 -0.441 20 0 CBADMP C[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)[N@@H+](C)C1CC1 ZINC001343419218 889902543 /nfs/dbraw/zinc/90/25/43/889902543.db2.gz CJYBCJZWFHCOCE-SUZMYJTESA-N 2 1 255.362 -0.302 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C[NH2+]CC(N)=O ZINC001444377282 912438822 /nfs/dbraw/zinc/43/88/22/912438822.db2.gz OZUZHSVNRSCUNF-GHMZBOCLSA-N 2 1 270.377 -0.845 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001444429461 912446661 /nfs/dbraw/zinc/44/66/61/912446661.db2.gz CKUOPZFWTWDKNA-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC ZINC001444711907 912494844 /nfs/dbraw/zinc/49/48/44/912494844.db2.gz RWKOPCOJTMCVQC-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CO[C@@H](C)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001444971936 912532925 /nfs/dbraw/zinc/53/29/25/912532925.db2.gz ZMCQRFRKPDPMQM-STQMWFEESA-N 2 1 287.404 -0.258 20 0 CBADMP CO[C@@H](C)C[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001444971936 912532968 /nfs/dbraw/zinc/53/29/68/912532968.db2.gz ZMCQRFRKPDPMQM-STQMWFEESA-N 2 1 287.404 -0.258 20 0 CBADMP CO[C@@H](C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001444971936 912532938 /nfs/dbraw/zinc/53/29/38/912532938.db2.gz ZMCQRFRKPDPMQM-STQMWFEESA-N 2 1 287.404 -0.258 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001444954065 912528989 /nfs/dbraw/zinc/52/89/89/912528989.db2.gz HMSMZNPVGXDKOO-MNOVXSKESA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001444954065 912528996 /nfs/dbraw/zinc/52/89/96/912528996.db2.gz HMSMZNPVGXDKOO-MNOVXSKESA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001444954065 912529011 /nfs/dbraw/zinc/52/90/11/912529011.db2.gz HMSMZNPVGXDKOO-MNOVXSKESA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001444954065 912529026 /nfs/dbraw/zinc/52/90/26/912529026.db2.gz HMSMZNPVGXDKOO-MNOVXSKESA-N 2 1 270.377 -0.655 20 0 CBADMP CO[C@@H](C)C[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001444971936 912532954 /nfs/dbraw/zinc/53/29/54/912532954.db2.gz ZMCQRFRKPDPMQM-STQMWFEESA-N 2 1 287.404 -0.258 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001445038065 912544389 /nfs/dbraw/zinc/54/43/89/912544389.db2.gz ZJTNWURCHRARFW-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001445038065 912544401 /nfs/dbraw/zinc/54/44/01/912544401.db2.gz ZJTNWURCHRARFW-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001445038065 912544415 /nfs/dbraw/zinc/54/44/15/912544415.db2.gz ZJTNWURCHRARFW-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001445038065 912544429 /nfs/dbraw/zinc/54/44/29/912544429.db2.gz ZJTNWURCHRARFW-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O ZINC001445067787 912551695 /nfs/dbraw/zinc/55/16/95/912551695.db2.gz YKEPFEUNTDKGNC-NSHDSACASA-N 2 1 272.393 -0.408 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O ZINC001445067787 912551708 /nfs/dbraw/zinc/55/17/08/912551708.db2.gz YKEPFEUNTDKGNC-NSHDSACASA-N 2 1 272.393 -0.408 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001445067787 912551726 /nfs/dbraw/zinc/55/17/26/912551726.db2.gz YKEPFEUNTDKGNC-NSHDSACASA-N 2 1 272.393 -0.408 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001445067787 912551740 /nfs/dbraw/zinc/55/17/40/912551740.db2.gz YKEPFEUNTDKGNC-NSHDSACASA-N 2 1 272.393 -0.408 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H]1CCCNC1=O ZINC001445088076 912556617 /nfs/dbraw/zinc/55/66/17/912556617.db2.gz SFCREBUTZYRYFY-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H]1CCCNC1=O ZINC001445088076 912556629 /nfs/dbraw/zinc/55/66/29/912556629.db2.gz SFCREBUTZYRYFY-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@@H]1CCCNC1=O ZINC001445088076 912556640 /nfs/dbraw/zinc/55/66/40/912556640.db2.gz SFCREBUTZYRYFY-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001445088076 912556651 /nfs/dbraw/zinc/55/66/51/912556651.db2.gz SFCREBUTZYRYFY-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001445145537 912577097 /nfs/dbraw/zinc/57/70/97/912577097.db2.gz CSERSWFSFJFCIE-AAEUAGOBSA-N 2 1 296.371 -0.356 20 0 CBADMP C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)[C@@H]1CN(C)CCN1C ZINC001346228504 890241839 /nfs/dbraw/zinc/24/18/39/890241839.db2.gz KCGQSCPQNMIFFW-UHTWSYAYSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346228504 890241857 /nfs/dbraw/zinc/24/18/57/890241857.db2.gz KCGQSCPQNMIFFW-UHTWSYAYSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001346228504 890241874 /nfs/dbraw/zinc/24/18/74/890241874.db2.gz KCGQSCPQNMIFFW-UHTWSYAYSA-N 2 1 268.405 -0.136 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)C[N@@H+](C)C(C)C ZINC001445335730 912636776 /nfs/dbraw/zinc/63/67/76/912636776.db2.gz UZAUWSXDCYOYQX-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001445386941 912651794 /nfs/dbraw/zinc/65/17/94/912651794.db2.gz VDRLNZPDCOEMID-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001445500117 912679576 /nfs/dbraw/zinc/67/95/76/912679576.db2.gz IHYNNYJXPRENLC-PWSUYJOCSA-N 2 1 293.371 -0.436 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001445550702 912698266 /nfs/dbraw/zinc/69/82/66/912698266.db2.gz ZBORGTHJQNJRQI-YNEHKIRRSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445648617 912726238 /nfs/dbraw/zinc/72/62/38/912726238.db2.gz OITVJQAQKJBQPK-QWRGUYRKSA-N 2 1 280.376 -0.639 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001446153016 912824142 /nfs/dbraw/zinc/82/41/42/912824142.db2.gz DUOFKAYCZFBGOR-MNOVXSKESA-N 2 1 282.388 -0.547 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@H]3CCOC3)CC2)C1 ZINC001446152364 912825189 /nfs/dbraw/zinc/82/51/89/912825189.db2.gz QRUUXOFQHAJRTJ-OLZOCXBDSA-N 2 1 297.399 -0.408 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@H]3CCOC3)CC2)C1 ZINC001446152364 912825211 /nfs/dbraw/zinc/82/52/11/912825211.db2.gz QRUUXOFQHAJRTJ-OLZOCXBDSA-N 2 1 297.399 -0.408 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@@]12CC[NH+](C1)CCC2 ZINC001028956236 884616765 /nfs/dbraw/zinc/61/67/65/884616765.db2.gz AREUABPZYVUADO-ZFWWWQNUSA-N 2 1 281.400 -0.097 20 0 CBADMP O=C(NC[C@@H]1CC[NH+](CCO)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001028956236 884616769 /nfs/dbraw/zinc/61/67/69/884616769.db2.gz AREUABPZYVUADO-ZFWWWQNUSA-N 2 1 281.400 -0.097 20 0 CBADMP O=C(NC[C@@H]1CC[NH+](CCO)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001028956236 884616782 /nfs/dbraw/zinc/61/67/82/884616782.db2.gz AREUABPZYVUADO-ZFWWWQNUSA-N 2 1 281.400 -0.097 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091100318 884648691 /nfs/dbraw/zinc/64/86/91/884648691.db2.gz PQTGOENBHYRSRP-HTAVTVPLSA-N 2 1 282.388 -0.560 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001152426447 884676848 /nfs/dbraw/zinc/67/68/48/884676848.db2.gz IFIKUAXQZZNLJL-UHFFFAOYSA-N 2 1 268.365 -0.639 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001152426447 884676852 /nfs/dbraw/zinc/67/68/52/884676852.db2.gz IFIKUAXQZZNLJL-UHFFFAOYSA-N 2 1 268.365 -0.639 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001188158234 884720313 /nfs/dbraw/zinc/72/03/13/884720313.db2.gz ISGQVJBKYGKZDB-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001210041193 884759373 /nfs/dbraw/zinc/75/93/73/884759373.db2.gz RCTCTQPNPGPSQJ-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001210041193 884759387 /nfs/dbraw/zinc/75/93/87/884759387.db2.gz RCTCTQPNPGPSQJ-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001210041193 884759407 /nfs/dbraw/zinc/75/94/07/884759407.db2.gz RCTCTQPNPGPSQJ-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001210041193 884759424 /nfs/dbraw/zinc/75/94/24/884759424.db2.gz RCTCTQPNPGPSQJ-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001210810677 884765387 /nfs/dbraw/zinc/76/53/87/884765387.db2.gz CKOIEHINGFSTPD-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211369082 884771967 /nfs/dbraw/zinc/77/19/67/884771967.db2.gz BDGWAXLCMDVJMS-VXGBXAGGSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211369082 884771981 /nfs/dbraw/zinc/77/19/81/884771981.db2.gz BDGWAXLCMDVJMS-VXGBXAGGSA-N 2 1 284.404 -0.491 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1C ZINC001211369928 884772440 /nfs/dbraw/zinc/77/24/40/884772440.db2.gz UVLKSHMKSYMVAF-UPJWGTAASA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1C ZINC001211369928 884772444 /nfs/dbraw/zinc/77/24/44/884772444.db2.gz UVLKSHMKSYMVAF-UPJWGTAASA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001211369928 884772450 /nfs/dbraw/zinc/77/24/50/884772450.db2.gz UVLKSHMKSYMVAF-UPJWGTAASA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001211369928 884772463 /nfs/dbraw/zinc/77/24/63/884772463.db2.gz UVLKSHMKSYMVAF-UPJWGTAASA-N 2 1 296.415 -0.348 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430441 884775661 /nfs/dbraw/zinc/77/56/61/884775661.db2.gz NNHLXKJNVDWOIY-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001212430441 884775669 /nfs/dbraw/zinc/77/56/69/884775669.db2.gz NNHLXKJNVDWOIY-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212430441 884775684 /nfs/dbraw/zinc/77/56/84/884775684.db2.gz NNHLXKJNVDWOIY-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1CC[NH2+]1 ZINC001219794389 884792192 /nfs/dbraw/zinc/79/21/92/884792192.db2.gz YIVXDUKYCGKORZ-ZDUSSCGKSA-N 2 1 266.389 -0.319 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001326299664 884978130 /nfs/dbraw/zinc/97/81/30/884978130.db2.gz TXTGHVXYDFMMLS-AXFHLTTASA-N 2 1 269.345 -0.380 20 0 CBADMP C[C@H](C(=O)N[C@@H]1CCC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC001326306166 884980680 /nfs/dbraw/zinc/98/06/80/884980680.db2.gz OCTOFUSIDWAVGP-CHWSQXEVSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001326370027 885009420 /nfs/dbraw/zinc/00/94/20/885009420.db2.gz LHYQELOTGIFXAP-WDEREUQCSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001326370027 885009429 /nfs/dbraw/zinc/00/94/29/885009429.db2.gz LHYQELOTGIFXAP-WDEREUQCSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC001326375122 885012220 /nfs/dbraw/zinc/01/22/20/885012220.db2.gz GYUGMZTYYOAGSD-RKDXNWHRSA-N 2 1 263.345 -0.135 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001446440369 912887556 /nfs/dbraw/zinc/88/75/56/912887556.db2.gz ZRVHNMLRRQCPOF-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCCO)C2)CC[N@H+]1C ZINC001326979839 885212538 /nfs/dbraw/zinc/21/25/38/885212538.db2.gz QULSUOVWAIIYFU-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001446581245 912911887 /nfs/dbraw/zinc/91/18/87/912911887.db2.gz WHEAGKFKGFPBKB-DOMZBBRYSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCCCO)CC1 ZINC001327054966 885235694 /nfs/dbraw/zinc/23/56/94/885235694.db2.gz WYFRXZCGRZYQHC-CQSZACIVSA-N 2 1 273.421 -0.311 20 0 CBADMP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC001327087005 885253123 /nfs/dbraw/zinc/25/31/23/885253123.db2.gz JHFOJGSWKDZRRQ-GFCCVEGCSA-N 2 1 282.388 -0.604 20 0 CBADMP C[NH2+]CC1CC[NH+](CC(=O)N2CCNCC2)CC1 ZINC001327087015 885254359 /nfs/dbraw/zinc/25/43/59/885254359.db2.gz JNJROVLNWSMYEE-UHFFFAOYSA-N 2 1 254.378 -0.650 20 0 CBADMP COC[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327151715 885271860 /nfs/dbraw/zinc/27/18/60/885271860.db2.gz UFAHCLHZAXJNTI-QWHCGFSZSA-N 2 1 258.362 -0.163 20 0 CBADMP O=C(CCc1ncc[nH]1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001327427541 885350302 /nfs/dbraw/zinc/35/03/02/885350302.db2.gz NJXSQASWWCWMLK-LLVKDONJSA-N 2 1 264.329 -0.380 20 0 CBADMP O=C(CCc1ncc[nH]1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001327427541 885350322 /nfs/dbraw/zinc/35/03/22/885350322.db2.gz NJXSQASWWCWMLK-LLVKDONJSA-N 2 1 264.329 -0.380 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001327471966 885368805 /nfs/dbraw/zinc/36/88/05/885368805.db2.gz PAHRZSDSFFWSOI-SRVKXCTJSA-N 2 1 280.372 -0.793 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])CC[N@H+]1C ZINC001327501293 885377859 /nfs/dbraw/zinc/37/78/59/885377859.db2.gz RRGLJXNUAKAYMQ-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])CC[N@H+]1C ZINC001327501065 885379369 /nfs/dbraw/zinc/37/93/69/885379369.db2.gz RRGLJXNUAKAYMQ-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC001327562196 885407268 /nfs/dbraw/zinc/40/72/68/885407268.db2.gz JXFBYLVKPPUMJK-CABCVRRESA-N 2 1 282.432 -0.313 20 0 CBADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001327564064 885407896 /nfs/dbraw/zinc/40/78/96/885407896.db2.gz WESZHRXQGUSANW-KGLIPLIRSA-N 3 1 280.416 -0.513 20 0 CBADMP C[NH+](C/C=C\C[N@@H+](C)CCC(N)=O)CCC(N)=O ZINC001327618480 885432487 /nfs/dbraw/zinc/43/24/87/885432487.db2.gz CAPNHYBNJIZIEO-ARJAWSKDSA-N 2 1 256.350 -0.843 20 0 CBADMP C([N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC001327642419 885440094 /nfs/dbraw/zinc/44/00/94/885440094.db2.gz IFKANRIEQBTHHQ-BFHYXJOUSA-N 3 1 250.390 -0.425 20 0 CBADMP C([N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC001327642419 885440102 /nfs/dbraw/zinc/44/01/02/885440102.db2.gz IFKANRIEQBTHHQ-BFHYXJOUSA-N 3 1 250.390 -0.425 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001327710868 885458521 /nfs/dbraw/zinc/45/85/21/885458521.db2.gz IZYKXTHQQUWYAZ-OLZOCXBDSA-N 2 1 257.378 -0.950 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001327710868 885458528 /nfs/dbraw/zinc/45/85/28/885458528.db2.gz IZYKXTHQQUWYAZ-OLZOCXBDSA-N 2 1 257.378 -0.950 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001327710868 885458539 /nfs/dbraw/zinc/45/85/39/885458539.db2.gz IZYKXTHQQUWYAZ-OLZOCXBDSA-N 2 1 257.378 -0.950 20 0 CBADMP CN(CCC[NH3+])C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC001327862206 885505058 /nfs/dbraw/zinc/50/50/58/885505058.db2.gz BBCSNHFFMVDGCP-SECBINFHSA-N 2 1 251.334 -0.093 20 0 CBADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC001328728857 885795138 /nfs/dbraw/zinc/79/51/38/885795138.db2.gz ALAFZLHQOWZLPM-OLZOCXBDSA-N 3 1 268.405 -0.133 20 0 CBADMP C[C@@H]1CCCN(CC(=O)N2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC001328728857 885795148 /nfs/dbraw/zinc/79/51/48/885795148.db2.gz ALAFZLHQOWZLPM-OLZOCXBDSA-N 2 1 268.405 -0.133 20 0 CBADMP C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC001328728859 885795284 /nfs/dbraw/zinc/79/52/84/885795284.db2.gz ALAFZLHQOWZLPM-STQMWFEESA-N 3 1 268.405 -0.133 20 0 CBADMP C[C@H]1CCCN(CC(=O)N2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC001328728859 885795299 /nfs/dbraw/zinc/79/52/99/885795299.db2.gz ALAFZLHQOWZLPM-STQMWFEESA-N 2 1 268.405 -0.133 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001446942054 912981246 /nfs/dbraw/zinc/98/12/46/912981246.db2.gz ODTRGIAACPYKLY-RYUDHWBXSA-N 2 1 284.404 -0.502 20 0 CBADMP COCCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001329245446 885982066 /nfs/dbraw/zinc/98/20/66/885982066.db2.gz NYTWTOGHJCDHGJ-UHFFFAOYSA-N 2 1 253.350 -0.110 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC001329434914 886065941 /nfs/dbraw/zinc/06/59/41/886065941.db2.gz ZSLFRMGGXNAVOM-QWRGUYRKSA-N 2 1 295.387 -0.251 20 0 CBADMP COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001329497955 886096905 /nfs/dbraw/zinc/09/69/05/886096905.db2.gz AMNZGZIERGQAJL-NSHDSACASA-N 2 1 269.345 -0.554 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC(N)=O ZINC001447044160 913007273 /nfs/dbraw/zinc/00/72/73/913007273.db2.gz QORISZFZMYRQET-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC(N)=O ZINC001447044160 913007295 /nfs/dbraw/zinc/00/72/95/913007295.db2.gz QORISZFZMYRQET-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001447044160 913007314 /nfs/dbraw/zinc/00/73/14/913007314.db2.gz QORISZFZMYRQET-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001447044160 913007336 /nfs/dbraw/zinc/00/73/36/913007336.db2.gz QORISZFZMYRQET-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH+]1CCC(O)CC1 ZINC001329616970 886146317 /nfs/dbraw/zinc/14/63/17/886146317.db2.gz DPDFCXAULJXDGO-UHFFFAOYSA-N 2 1 266.345 -0.236 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC001329675967 886170050 /nfs/dbraw/zinc/17/00/50/886170050.db2.gz UEIXLPVMGZZYKP-CHWSQXEVSA-N 2 1 257.378 -0.195 20 0 CBADMP CCN1CC(CCO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001329707521 886181918 /nfs/dbraw/zinc/18/19/18/886181918.db2.gz JAANMGVHWBRWIU-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001330024308 886330620 /nfs/dbraw/zinc/33/06/20/886330620.db2.gz PAHRZSDSFFWSOI-TUAOUCFPSA-N 2 1 280.372 -0.793 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)C1 ZINC001330528721 886470700 /nfs/dbraw/zinc/47/07/00/886470700.db2.gz NWWHMKYGUMKZPK-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC([NH3+])CC3)CC[C@H]21 ZINC001330568313 886484930 /nfs/dbraw/zinc/48/49/30/886484930.db2.gz SLXFYEDYCWRUSF-WCQYABFASA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC001330594481 886492824 /nfs/dbraw/zinc/49/28/24/886492824.db2.gz KZLGXLBAFARMJX-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC001330594479 886493225 /nfs/dbraw/zinc/49/32/25/886493225.db2.gz KZLGXLBAFARMJX-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP CC(C)C[NH2+]CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001330626765 886511782 /nfs/dbraw/zinc/51/17/82/886511782.db2.gz RPKVBLOOZXLKON-LBPRGKRZSA-N 2 1 284.404 -0.312 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3=NO[C@H](C[NH3+])C3)CC[C@H]21 ZINC001330641125 886513873 /nfs/dbraw/zinc/51/38/73/886513873.db2.gz PTHQVCLYHGJBDX-JFGNBEQYSA-N 2 1 266.345 -0.357 20 0 CBADMP CC1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)CC(N)=O)CC1 ZINC001447364274 913060328 /nfs/dbraw/zinc/06/03/28/913060328.db2.gz GQLISQIYRSMJAE-UHFFFAOYSA-N 2 1 298.431 -0.016 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001330870094 886607441 /nfs/dbraw/zinc/60/74/41/886607441.db2.gz JVFKJFFLPDZYRP-TUAOUCFPSA-N 2 1 282.388 -0.417 20 0 CBADMP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ncnn2C)CC1 ZINC001331053877 886660870 /nfs/dbraw/zinc/66/08/70/886660870.db2.gz TUEDZBCYBPDAHC-LBPRGKRZSA-N 2 1 266.393 -0.069 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NCCCC[NH3+])CC1(C)C ZINC001331155896 886698724 /nfs/dbraw/zinc/69/87/24/886698724.db2.gz RSFQTVBNSGPCID-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCCCC[NH3+])CC1(C)C ZINC001331155896 886698728 /nfs/dbraw/zinc/69/87/28/886698728.db2.gz RSFQTVBNSGPCID-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001331192412 886722337 /nfs/dbraw/zinc/72/23/37/886722337.db2.gz NJNJBVFIKKVWBJ-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001331192412 886722358 /nfs/dbraw/zinc/72/23/58/886722358.db2.gz NJNJBVFIKKVWBJ-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP CCC1([NH2+]CC(N)=O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001447424719 913075415 /nfs/dbraw/zinc/07/54/15/913075415.db2.gz ONBRAOVOUIKCLL-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H](C[NH2+]CCO)C1CC1 ZINC001331271799 886761613 /nfs/dbraw/zinc/76/16/13/886761613.db2.gz YKSMTCNTYQRLQD-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC001331707298 886923309 /nfs/dbraw/zinc/92/33/09/886923309.db2.gz LOXDUCRYNXCOMU-UHFFFAOYSA-N 2 1 297.447 -0.965 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC2CC2)CC[N@H+]1C ZINC001331710436 886927120 /nfs/dbraw/zinc/92/71/20/886927120.db2.gz AMUBDWLWBQIYLZ-KGYLQXTDSA-N 2 1 269.389 -0.197 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001331967770 887068174 /nfs/dbraw/zinc/06/81/74/887068174.db2.gz CCEZVRLFAITONJ-SRVKXCTJSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001447736247 913110665 /nfs/dbraw/zinc/11/06/65/913110665.db2.gz BFLRTSGOILNIGF-CHWSQXEVSA-N 2 1 299.415 -0.738 20 0 CBADMP C[NH2+]CCC(=O)NCCCCN1CC[NH+](C)CC1 ZINC001332094754 887108215 /nfs/dbraw/zinc/10/82/15/887108215.db2.gz VCJDMRAUMZDFLS-UHFFFAOYSA-N 2 1 256.394 -0.260 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001332288869 887187705 /nfs/dbraw/zinc/18/77/05/887187705.db2.gz USRUFOOIPNFGMT-YVECIDJPSA-N 2 1 294.399 -0.417 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H](O)Cn1cccn1 ZINC001332335303 887211180 /nfs/dbraw/zinc/21/11/80/887211180.db2.gz TYAIZKJCTHHFNM-CYBMUJFWSA-N 2 1 267.377 -0.919 20 0 CBADMP CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001332399943 887261535 /nfs/dbraw/zinc/26/15/35/887261535.db2.gz FWOHVQOAMFACRD-KXUCPTDWSA-N 2 1 262.375 -0.749 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)C[C@H]1[NH3+] ZINC001332433531 887277135 /nfs/dbraw/zinc/27/71/35/887277135.db2.gz GLAKAFHSZCHZFM-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H](C)CCC[NH3+])c1cnn(C)c1 ZINC001332435634 887281435 /nfs/dbraw/zinc/28/14/35/887281435.db2.gz IAIIPGLPTLPZSV-ONGXEEELSA-N 2 1 253.350 -0.076 20 0 CBADMP CC(C)=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001332487255 887312171 /nfs/dbraw/zinc/31/21/71/887312171.db2.gz GBFKZHKKIIXIQW-KGLIPLIRSA-N 2 1 299.415 -0.308 20 0 CBADMP CC(C)=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001332487255 887312181 /nfs/dbraw/zinc/31/21/81/887312181.db2.gz GBFKZHKKIIXIQW-KGLIPLIRSA-N 2 1 299.415 -0.308 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001332722056 887417936 /nfs/dbraw/zinc/41/79/36/887417936.db2.gz CUXYGUBUUUGANX-RYUDHWBXSA-N 2 1 256.394 -0.277 20 0 CBADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001332815457 887438100 /nfs/dbraw/zinc/43/81/00/887438100.db2.gz IKQYMDVYTSDFPQ-UONOGXRCSA-N 3 1 280.416 -0.656 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](N3C(=O)N[C@H](CO)C3=O)C2)CC1 ZINC001332846897 887449122 /nfs/dbraw/zinc/44/91/22/887449122.db2.gz APMNUKHBMNLEJQ-NWDGAFQWSA-N 2 1 296.371 -0.932 20 0 CBADMP C[NH+]1CCC(N2CC[C@H](N3C(=O)N[C@H](CO)C3=O)C2)CC1 ZINC001332846897 887449131 /nfs/dbraw/zinc/44/91/31/887449131.db2.gz APMNUKHBMNLEJQ-NWDGAFQWSA-N 2 1 296.371 -0.932 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C1=NO[C@H](C[NH3+])C1 ZINC001333000133 887498497 /nfs/dbraw/zinc/49/84/97/887498497.db2.gz LUHIQZNJCRMAFU-ZMLRMANQSA-N 2 1 266.345 -0.215 20 0 CBADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]CCOCCO)C1 ZINC001333154779 887542696 /nfs/dbraw/zinc/54/26/96/887542696.db2.gz VTHCAIPSBSJAIZ-HSBZDZAISA-N 2 1 299.415 -0.474 20 0 CBADMP NC(=O)C[N@@H+](CC1CC[NH2+]CC1)C1CCOCC1 ZINC001333162202 887545284 /nfs/dbraw/zinc/54/52/84/887545284.db2.gz YATWWHFBHHUVMQ-UHFFFAOYSA-N 2 1 255.362 -0.048 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC001333161725 887546060 /nfs/dbraw/zinc/54/60/60/887546060.db2.gz RZBDVCXKLJQBBQ-XQQFMLRXSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001333180169 887556224 /nfs/dbraw/zinc/55/62/24/887556224.db2.gz YHBGNJOMXNBMLS-TUAOUCFPSA-N 2 1 282.388 -0.417 20 0 CBADMP C[NH+](C)CC1CN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC001333286219 887586834 /nfs/dbraw/zinc/58/68/34/887586834.db2.gz VKYHCSFXLDYECJ-CQSZACIVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](C)CC1CN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC001333286218 887587052 /nfs/dbraw/zinc/58/70/52/887587052.db2.gz VKYHCSFXLDYECJ-AWEZNQCLSA-N 2 1 269.389 -0.147 20 0 CBADMP CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001333406526 887623957 /nfs/dbraw/zinc/62/39/57/887623957.db2.gz VTKMOSKLIXFSRG-SNVBAGLBSA-N 2 1 282.388 -0.417 20 0 CBADMP CN1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC[NH+](C)CC1 ZINC001333404953 887625387 /nfs/dbraw/zinc/62/53/87/887625387.db2.gz QBSQHJHWKWYIOO-OAHLLOKOSA-N 2 1 284.448 -0.379 20 0 CBADMP CN1CCN(C[C@H](O)C[NH+](C)C2CC2)CC[N@H+](C)CC1 ZINC001333404953 887625394 /nfs/dbraw/zinc/62/53/94/887625394.db2.gz QBSQHJHWKWYIOO-OAHLLOKOSA-N 2 1 284.448 -0.379 20 0 CBADMP CN1CCN(C[C@H](O)C[NH+](C)C2CC2)CC[N@@H+](C)CC1 ZINC001333404953 887625397 /nfs/dbraw/zinc/62/53/97/887625397.db2.gz QBSQHJHWKWYIOO-OAHLLOKOSA-N 2 1 284.448 -0.379 20 0 CBADMP C[C@@H]([NH2+]Cc1nncn1C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001447905360 913164234 /nfs/dbraw/zinc/16/42/34/913164234.db2.gz OWEILALIFBVRRK-MNOVXSKESA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC001333548012 887687079 /nfs/dbraw/zinc/68/70/79/887687079.db2.gz KTUZIIWFZGJFTK-SDDRHHMPSA-N 2 1 282.388 -0.594 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001447988457 913181210 /nfs/dbraw/zinc/18/12/10/913181210.db2.gz APIJSLJHZMBNTE-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001447988457 913181224 /nfs/dbraw/zinc/18/12/24/913181224.db2.gz APIJSLJHZMBNTE-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001447988457 913181235 /nfs/dbraw/zinc/18/12/35/913181235.db2.gz APIJSLJHZMBNTE-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001447988457 913181249 /nfs/dbraw/zinc/18/12/49/913181249.db2.gz APIJSLJHZMBNTE-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333958047 887819471 /nfs/dbraw/zinc/81/94/71/887819471.db2.gz AANQMSJSSMDWGI-FRRDWIJNSA-N 2 1 296.415 -0.170 20 0 CBADMP COC[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001334339164 887927073 /nfs/dbraw/zinc/92/70/73/887927073.db2.gz VCZDQALRPMXXBI-RYUDHWBXSA-N 2 1 256.346 -0.288 20 0 CBADMP COC[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001334339164 887927088 /nfs/dbraw/zinc/92/70/88/887927088.db2.gz VCZDQALRPMXXBI-RYUDHWBXSA-N 2 1 256.346 -0.288 20 0 CBADMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH+](C)CC(N)=O ZINC001448047495 913204034 /nfs/dbraw/zinc/20/40/34/913204034.db2.gz XIHHKEDLELEGMU-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH+](C)CC(N)=O ZINC001448047495 913204058 /nfs/dbraw/zinc/20/40/58/913204058.db2.gz XIHHKEDLELEGMU-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](CNC(=O)CC[C@H]1CCC[NH+]1C)[N@H+](C)CC(N)=O ZINC001448047495 913204084 /nfs/dbraw/zinc/20/40/84/913204084.db2.gz XIHHKEDLELEGMU-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](CNC(=O)CC[C@H]1CCC[NH+]1C)[N@@H+](C)CC(N)=O ZINC001448047495 913204093 /nfs/dbraw/zinc/20/40/93/913204093.db2.gz XIHHKEDLELEGMU-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)CC(=O)N(C)C ZINC001448073891 913211185 /nfs/dbraw/zinc/21/11/85/913211185.db2.gz CKKNCWKVXIWNNA-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)CC(=O)N(C)C ZINC001448073891 913211199 /nfs/dbraw/zinc/21/11/99/913211199.db2.gz CKKNCWKVXIWNNA-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001448104256 913222294 /nfs/dbraw/zinc/22/22/94/913222294.db2.gz RUXXVZSISQNUSH-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001448104256 913222305 /nfs/dbraw/zinc/22/23/05/913222305.db2.gz RUXXVZSISQNUSH-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001334774226 888320136 /nfs/dbraw/zinc/32/01/36/888320136.db2.gz GVFUYCXBVPMWDQ-OLZOCXBDSA-N 3 1 268.405 -0.146 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+](C)CCOC)C1 ZINC001448145503 913233157 /nfs/dbraw/zinc/23/31/57/913233157.db2.gz IPNXVFOMRWCLET-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+](C)CCOC)C1 ZINC001448145503 913233177 /nfs/dbraw/zinc/23/31/77/913233177.db2.gz IPNXVFOMRWCLET-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCOC)C1 ZINC001448145503 913233199 /nfs/dbraw/zinc/23/31/99/913233199.db2.gz IPNXVFOMRWCLET-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CCOC)C1 ZINC001448145503 913233223 /nfs/dbraw/zinc/23/32/23/913233223.db2.gz IPNXVFOMRWCLET-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC(=O)NC1CC1 ZINC001448147988 913239860 /nfs/dbraw/zinc/23/98/60/913239860.db2.gz MWSYAFMVPLKMRE-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CC(=O)NC1CC1 ZINC001448147988 913239873 /nfs/dbraw/zinc/23/98/73/913239873.db2.gz MWSYAFMVPLKMRE-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP c1ncn([C@@H]2CC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC001335190598 888437168 /nfs/dbraw/zinc/43/71/68/888437168.db2.gz TUPDHLNFQQMFDY-NEPJUHHUSA-N 2 1 263.345 -0.097 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)CC[N@H+]1C ZINC001335207471 888448438 /nfs/dbraw/zinc/44/84/38/888448438.db2.gz RPHBVZTXSWNDNF-ZJUUUORDSA-N 2 1 268.361 -0.807 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001335378757 888519825 /nfs/dbraw/zinc/51/98/25/888519825.db2.gz JIQLYEWULTXAGK-SRVKXCTJSA-N 2 1 284.404 -0.267 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CCCO1 ZINC001335521817 888553826 /nfs/dbraw/zinc/55/38/26/888553826.db2.gz MHCWKRGDJNVGAO-WDEREUQCSA-N 2 1 251.334 -0.185 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CCCO1 ZINC001335521817 888553830 /nfs/dbraw/zinc/55/38/30/888553830.db2.gz MHCWKRGDJNVGAO-WDEREUQCSA-N 2 1 251.334 -0.185 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001335538350 888559768 /nfs/dbraw/zinc/55/97/68/888559768.db2.gz RSOVHKZPFVBVTD-AWEZNQCLSA-N 2 1 297.447 -0.077 20 0 CBADMP C[C@H](O)[C@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC001335593650 888576496 /nfs/dbraw/zinc/57/64/96/888576496.db2.gz IRGASRBYRBQSJJ-QWHCGFSZSA-N 2 1 259.394 -0.703 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC1([NH3+])CC1 ZINC001335678705 888602991 /nfs/dbraw/zinc/60/29/91/888602991.db2.gz NXFKRGRRZGGRGA-SNVBAGLBSA-N 2 1 256.350 -0.814 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC1([NH3+])CC1 ZINC001335678705 888602997 /nfs/dbraw/zinc/60/29/97/888602997.db2.gz NXFKRGRRZGGRGA-SNVBAGLBSA-N 2 1 256.350 -0.814 20 0 CBADMP Cn1c[nH+]cc1CC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC001335954481 888660374 /nfs/dbraw/zinc/66/03/74/888660374.db2.gz NOEJPXQTFHNPRO-LBPRGKRZSA-N 2 1 269.345 -0.545 20 0 CBADMP COC[C@H](O)C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC001335950747 888660621 /nfs/dbraw/zinc/66/06/21/888660621.db2.gz KGTUDKJOXVZSMS-CYBMUJFWSA-N 2 1 259.394 -0.389 20 0 CBADMP Nc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nn1 ZINC001336116604 888697523 /nfs/dbraw/zinc/69/75/23/888697523.db2.gz HCDMUCSLTKGIHD-GFCCVEGCSA-N 2 1 262.361 -0.462 20 0 CBADMP [NH3+]C/C=C/CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001336131797 888701989 /nfs/dbraw/zinc/70/19/89/888701989.db2.gz BNOSVUARUZBZDG-XXUGLENDSA-N 2 1 282.388 -0.258 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)CC[N@H+]1C ZINC001336633888 888825856 /nfs/dbraw/zinc/82/58/56/888825856.db2.gz MMWCLWDLNGEZRR-MNOVXSKESA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H](NC(=O)CC[NH+]1CCOCC1)C1C[NH+](CCCO)C1 ZINC001448346055 913284194 /nfs/dbraw/zinc/28/41/94/913284194.db2.gz RYZFIJUGOZAYNU-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)C2(O)CCOCC2)C1 ZINC001336732946 888859552 /nfs/dbraw/zinc/85/95/52/888859552.db2.gz ISAQWCGLYORIFS-NWDGAFQWSA-N 2 1 258.362 -0.570 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCC1C[NH2+]C1 ZINC001336732053 888861372 /nfs/dbraw/zinc/86/13/72/888861372.db2.gz MRUBUFJKBXWDQA-LBPRGKRZSA-N 2 1 282.388 -0.558 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001336795819 888882067 /nfs/dbraw/zinc/88/20/67/888882067.db2.gz FHWBXVSNCGZRDD-CYBMUJFWSA-N 2 1 285.436 -0.079 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001336925044 888921830 /nfs/dbraw/zinc/92/18/30/888921830.db2.gz BCUIYZRUIYMZEE-CHWSQXEVSA-N 2 1 284.404 -0.042 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001336966046 888937618 /nfs/dbraw/zinc/93/76/18/888937618.db2.gz WAZUEZJLHBTWNP-NHCYSSNCSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001336964176 888937946 /nfs/dbraw/zinc/93/79/46/888937946.db2.gz GEKRUQIICLNULS-TUAOUCFPSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001336966044 888938086 /nfs/dbraw/zinc/93/80/86/888938086.db2.gz WAZUEZJLHBTWNP-JBLDHEPKSA-N 2 1 282.388 -0.561 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001337037344 888952115 /nfs/dbraw/zinc/95/21/15/888952115.db2.gz PLSGEGIXOBGTCW-IRCOFANPSA-N 2 1 268.361 -0.755 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[NH+]2CCC1CC2 ZINC001337408128 889002960 /nfs/dbraw/zinc/00/29/60/889002960.db2.gz BTGQWKNIQLTGDX-CYBMUJFWSA-N 2 1 267.373 -0.081 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001337419676 889004357 /nfs/dbraw/zinc/00/43/57/889004357.db2.gz CVCVBSUXSNXXTB-MXWKQRLJSA-N 2 1 280.372 -0.713 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001448458235 913302052 /nfs/dbraw/zinc/30/20/52/913302052.db2.gz ZURKBAJGHQMSEE-SYQHCUMBSA-N 2 1 281.400 -0.243 20 0 CBADMP C[C@@H]1CN(c2nccnc2C[NH3+])C[C@H](C)[N@@H+]1CCO ZINC001338009855 889104708 /nfs/dbraw/zinc/10/47/08/889104708.db2.gz KXWBLRYRYMBORU-PHIMTYICSA-N 2 1 265.361 -0.173 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001338065063 889113272 /nfs/dbraw/zinc/11/32/72/889113272.db2.gz NZHUTITYSZBMJA-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001338065063 889113277 /nfs/dbraw/zinc/11/32/77/889113277.db2.gz NZHUTITYSZBMJA-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001448517450 913313437 /nfs/dbraw/zinc/31/34/37/913313437.db2.gz QVXCROLPHWTBLD-JHJVBQTASA-N 2 1 298.431 -0.053 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001338474060 889164165 /nfs/dbraw/zinc/16/41/65/889164165.db2.gz LSWIDOKTVVUWHT-CQSZACIVSA-N 2 1 297.447 -0.077 20 0 CBADMP C[C@@H]1CN(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCO1 ZINC001338468885 889164311 /nfs/dbraw/zinc/16/43/11/889164311.db2.gz ZFFFRXITIAFFMT-ZIAGYGMSSA-N 2 1 271.405 -0.247 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H]1CCC[NH2+]C1 ZINC001339708942 889310650 /nfs/dbraw/zinc/31/06/50/889310650.db2.gz JMJYMIIYMNBZGC-FRRDWIJNSA-N 2 1 266.389 -0.510 20 0 CBADMP O=C(C[NH+]1CCC(CO)CC1)NCC1CC[NH2+]CC1 ZINC001339711182 889315704 /nfs/dbraw/zinc/31/57/04/889315704.db2.gz VCMNSJORNRHXAZ-UHFFFAOYSA-N 2 1 269.389 -0.194 20 0 CBADMP [NH3+]CC1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC(O)C1 ZINC001340044259 889368433 /nfs/dbraw/zinc/36/84/33/889368433.db2.gz ISSFAEBOHDTKTJ-CBKZZEEASA-N 2 1 267.373 -0.171 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001340041467 889369650 /nfs/dbraw/zinc/36/96/50/889369650.db2.gz KCVXLHOZIBXFBO-DYEKYZERSA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001448655634 913339871 /nfs/dbraw/zinc/33/98/71/913339871.db2.gz RSCKSAGVGQNXGX-GMTAPVOTSA-N 2 1 270.377 -0.752 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001340091646 889382424 /nfs/dbraw/zinc/38/24/24/889382424.db2.gz WUTAXXPTXRBFBP-BJDJZHNGSA-N 2 1 257.378 -0.198 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH2+]CCN2C)CC[N@H+]1C ZINC001340105580 889385710 /nfs/dbraw/zinc/38/57/10/889385710.db2.gz NZVUGJLFUPEJLJ-UPJWGTAASA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[NH2+]CCN2C)CC[N@H+]1C ZINC001340105579 889386319 /nfs/dbraw/zinc/38/63/19/889386319.db2.gz NZVUGJLFUPEJLJ-JHJVBQTASA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001448655637 913342147 /nfs/dbraw/zinc/34/21/47/913342147.db2.gz RSCKSAGVGQNXGX-HBNTYKKESA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)(O)[C@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001340172647 889402594 /nfs/dbraw/zinc/40/25/94/889402594.db2.gz LJRRSSGAXLNMEG-LLVKDONJSA-N 2 1 255.362 -0.361 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC001340183970 889404946 /nfs/dbraw/zinc/40/49/46/889404946.db2.gz PQRRMNFFNHYHQI-IJLUTSLNSA-N 2 1 266.389 -0.369 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC001340183969 889405296 /nfs/dbraw/zinc/40/52/96/889405296.db2.gz PQRRMNFFNHYHQI-GRYCIOLGSA-N 2 1 266.389 -0.369 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001340239811 889413653 /nfs/dbraw/zinc/41/36/53/889413653.db2.gz CCCSRBVJXLRFPO-SGMGOOAPSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH2+]C(C)(C)C1 ZINC001340319350 889423272 /nfs/dbraw/zinc/42/32/72/889423272.db2.gz JLEMYIKMVXQBHA-NWDGAFQWSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH2+]C(C)(C)C1 ZINC001340319352 889423345 /nfs/dbraw/zinc/42/33/45/889423345.db2.gz JLEMYIKMVXQBHA-VXGBXAGGSA-N 2 1 266.389 -0.415 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001340478973 889438597 /nfs/dbraw/zinc/43/85/97/889438597.db2.gz VYJSWKQXVJYXFB-TUAOUCFPSA-N 2 1 254.378 -0.654 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH2+]CC1(C)C ZINC001340482917 889438710 /nfs/dbraw/zinc/43/87/10/889438710.db2.gz DIPJPFGDKJNOFN-NWDGAFQWSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CC(C)(C)[NH3+] ZINC001340596155 889451313 /nfs/dbraw/zinc/45/13/13/889451313.db2.gz POYQTZPOSGDJAH-QWRGUYRKSA-N 2 1 254.378 -0.430 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001340597586 889452125 /nfs/dbraw/zinc/45/21/25/889452125.db2.gz YVWHBZJNGPFKNW-IJLUTSLNSA-N 2 1 255.362 -0.171 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N(C)CCOCC[NH3+])cc2C[NH2+]1 ZINC001340718739 889470460 /nfs/dbraw/zinc/47/04/60/889470460.db2.gz NRHALTIDSKOYRJ-JTQLQIEISA-N 2 1 281.360 -0.578 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001340725944 889473574 /nfs/dbraw/zinc/47/35/74/889473574.db2.gz JDZALRITEGCNAF-DYEKYZERSA-N 2 1 267.373 -0.177 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001448687478 913349781 /nfs/dbraw/zinc/34/97/81/913349781.db2.gz VXRMXFMQIAMBPT-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001340825278 889492589 /nfs/dbraw/zinc/49/25/89/889492589.db2.gz WXTMDARGRYQKIG-WCQYABFASA-N 2 1 255.362 -0.299 20 0 CBADMP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001340839528 889496215 /nfs/dbraw/zinc/49/62/15/889496215.db2.gz TVBQGZSHZGSNIK-GHMZBOCLSA-N 2 1 257.378 -0.245 20 0 CBADMP CN1C(=O)CS/C1=C/C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001340944588 889519301 /nfs/dbraw/zinc/51/93/01/889519301.db2.gz YEOPJMFMNPEEKR-MDWZMJQESA-N 2 1 298.412 -0.428 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1(C)C ZINC001340953482 889522135 /nfs/dbraw/zinc/52/21/35/889522135.db2.gz RTACSGKVPVVSQL-MFKMUULPSA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1(C)C ZINC001340953482 889522143 /nfs/dbraw/zinc/52/21/43/889522143.db2.gz RTACSGKVPVVSQL-MFKMUULPSA-N 2 1 255.362 -0.348 20 0 CBADMP O=C(NCCCCC[NH+]1CCNCC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC001341069460 889539677 /nfs/dbraw/zinc/53/96/77/889539677.db2.gz CCXNPSJNCNVSAP-MCIONIFRSA-N 2 1 280.416 -0.072 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001341143035 889547098 /nfs/dbraw/zinc/54/70/98/889547098.db2.gz BYFFJBRUVRBXSY-ZANVPECISA-N 2 1 263.345 -0.409 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC(C)(C)CC[NH3+] ZINC001341129806 889548865 /nfs/dbraw/zinc/54/88/65/889548865.db2.gz LXQMXSLFGWHKDT-MNOVXSKESA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC001341354072 889579052 /nfs/dbraw/zinc/57/90/52/889579052.db2.gz PJSTZHWDQAPJPG-AGIUHOORSA-N 2 1 266.389 -0.428 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC(C[NH3+])CC1 ZINC001341351426 889581132 /nfs/dbraw/zinc/58/11/32/889581132.db2.gz BSCSNZQSRIJAOQ-YPMHNXCESA-N 2 1 266.389 -0.428 20 0 CBADMP Cn1ncc(C[NH3+])c1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001341511159 889613061 /nfs/dbraw/zinc/61/30/61/889613061.db2.gz COFFSOUBIRZJOW-UHFFFAOYSA-N 2 1 294.403 -0.802 20 0 CBADMP Cn1ncc(C[NH3+])c1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001341511159 889613066 /nfs/dbraw/zinc/61/30/66/889613066.db2.gz COFFSOUBIRZJOW-UHFFFAOYSA-N 2 1 294.403 -0.802 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001341539506 889618050 /nfs/dbraw/zinc/61/80/50/889618050.db2.gz MIRYVEGPWJPJPT-YNEHKIRRSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001341530094 889618488 /nfs/dbraw/zinc/61/84/88/889618488.db2.gz SGBJAHUIZMLJJE-DDHJBXDOSA-N 2 1 252.362 -0.772 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+]C[C@H]1CO ZINC001341583013 889629669 /nfs/dbraw/zinc/62/96/69/889629669.db2.gz WCNTYSORZRBJNG-RYUDHWBXSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNCC[NH3+] ZINC001341628026 889636672 /nfs/dbraw/zinc/63/66/72/889636672.db2.gz VOEMDOZSKBISDX-NEPJUHHUSA-N 2 1 254.378 -0.380 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)C[C@H](O)C[NH3+])C[C@H](C)O1 ZINC001341645442 889640499 /nfs/dbraw/zinc/64/04/99/889640499.db2.gz ZITCJBQVEQTKQV-TUAOUCFPSA-N 2 1 273.377 -0.688 20 0 CBADMP C[C@@]1(C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H](O)C[NH2+]1 ZINC001341659743 889642581 /nfs/dbraw/zinc/64/25/81/889642581.db2.gz SCNQHEUQVHSCFR-JSGCOSHPSA-N 2 1 267.373 -0.347 20 0 CBADMP C[C@@H](CNC(=O)CNCC[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC001341662748 889643171 /nfs/dbraw/zinc/64/31/71/889643171.db2.gz MZKUSYBPJNBWPW-RYUDHWBXSA-N 2 1 256.394 -0.229 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001341677634 889645527 /nfs/dbraw/zinc/64/55/27/889645527.db2.gz QVFMNCJKANXPNG-OCCSQVGLSA-N 2 1 269.389 -0.051 20 0 CBADMP [NH3+]CCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001341669893 889646498 /nfs/dbraw/zinc/64/64/98/889646498.db2.gz SHWFXBDRBJHJPC-OKILXGFUSA-N 2 1 296.415 -0.611 20 0 CBADMP [NH3+]CCOCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001341669893 889646504 /nfs/dbraw/zinc/64/65/04/889646504.db2.gz SHWFXBDRBJHJPC-OKILXGFUSA-N 2 1 296.415 -0.611 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC001341712081 889651974 /nfs/dbraw/zinc/65/19/74/889651974.db2.gz NNGPSWXOIGCNPV-WDEREUQCSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC001341712081 889651985 /nfs/dbraw/zinc/65/19/85/889651985.db2.gz NNGPSWXOIGCNPV-WDEREUQCSA-N 2 1 255.362 -0.097 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001341721516 889654431 /nfs/dbraw/zinc/65/44/31/889654431.db2.gz NMSNSQSBHBMLDU-CHWSQXEVSA-N 2 1 268.405 -0.323 20 0 CBADMP C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001342033151 889702403 /nfs/dbraw/zinc/70/24/03/889702403.db2.gz CPMIKFJCWBRHLM-UPJWGTAASA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001342033151 889702422 /nfs/dbraw/zinc/70/24/22/889702422.db2.gz CPMIKFJCWBRHLM-UPJWGTAASA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001342033151 889702430 /nfs/dbraw/zinc/70/24/30/889702430.db2.gz CPMIKFJCWBRHLM-UPJWGTAASA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001342037336 889702557 /nfs/dbraw/zinc/70/25/57/889702557.db2.gz SNROPTAMQMALCL-GMXVVIOVSA-N 2 1 268.405 -0.123 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@H](CO)C1 ZINC001342034244 889702891 /nfs/dbraw/zinc/70/28/91/889702891.db2.gz HPESECKRTIPPCN-GVXVVHGQSA-N 2 1 253.346 -0.879 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@H](CO)C1 ZINC001342034244 889702901 /nfs/dbraw/zinc/70/29/01/889702901.db2.gz HPESECKRTIPPCN-GVXVVHGQSA-N 2 1 253.346 -0.879 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH2+]CC23CC3)C1 ZINC001342099516 889711418 /nfs/dbraw/zinc/71/14/18/889711418.db2.gz MVFKDRPHNPXVRB-WDEREUQCSA-N 2 1 253.346 -0.425 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH2+]CC23CC3)C1 ZINC001342099516 889711439 /nfs/dbraw/zinc/71/14/39/889711439.db2.gz MVFKDRPHNPXVRB-WDEREUQCSA-N 2 1 253.346 -0.425 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1([NH3+])CCCC1 ZINC001342128271 889718161 /nfs/dbraw/zinc/71/81/61/889718161.db2.gz ZQONAXFCUIWRNF-VXGBXAGGSA-N 2 1 266.389 -0.238 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001448776443 913375993 /nfs/dbraw/zinc/37/59/93/913375993.db2.gz DCAGIBCZJARFES-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001448776443 913376008 /nfs/dbraw/zinc/37/60/08/913376008.db2.gz DCAGIBCZJARFES-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C)c1cnn(C)c1 ZINC001342415614 889769384 /nfs/dbraw/zinc/76/93/84/889769384.db2.gz MFGANLSLLZUKDQ-FBIMIBRVSA-N 2 1 251.334 -0.595 20 0 CBADMP C[C@H]1[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[N@H+]1C ZINC001342571214 889794947 /nfs/dbraw/zinc/79/49/47/889794947.db2.gz VLVWOWVHKXTEQO-SFTQSGBHSA-N 2 1 267.373 -0.179 20 0 CBADMP CC[C@H]([NH3+])C(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001342630423 889803583 /nfs/dbraw/zinc/80/35/83/889803583.db2.gz QCUPBYZJASWCNY-TVQRCGJNSA-N 2 1 263.345 -0.280 20 0 CBADMP C[NH2+]CCC(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001342645879 889807580 /nfs/dbraw/zinc/80/75/80/889807580.db2.gz TUTGMRSTXOUEQA-CYBMUJFWSA-N 2 1 263.345 -0.408 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C[C@H]1C[NH3+] ZINC001342757208 889824036 /nfs/dbraw/zinc/82/40/36/889824036.db2.gz KJWWZLDWRNGWBQ-XQHKEYJVSA-N 2 1 266.389 -0.572 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001342945468 889847396 /nfs/dbraw/zinc/84/73/96/889847396.db2.gz ZGEROIFIDBAMFG-WRWGMCAJSA-N 2 1 253.346 -0.284 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001342945468 889847404 /nfs/dbraw/zinc/84/74/04/889847404.db2.gz ZGEROIFIDBAMFG-WRWGMCAJSA-N 2 1 253.346 -0.284 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001343088532 889867559 /nfs/dbraw/zinc/86/75/59/889867559.db2.gz XOJBBKCXLOFNEQ-BJDJZHNGSA-N 2 1 252.362 -0.772 20 0 CBADMP C[C@@H](C(=O)N[C@H]1C[C@H](C[NH3+])C1)N1CC[NH+](C)CC1 ZINC001343085826 889867626 /nfs/dbraw/zinc/86/76/26/889867626.db2.gz OCALKIQFBVAOGT-SRVKXCTJSA-N 2 1 254.378 -0.524 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001343371668 889895741 /nfs/dbraw/zinc/89/57/41/889895741.db2.gz KVRRMFIYYYAUPC-AAEUAGOBSA-N 2 1 255.362 -0.348 20 0 CBADMP [NH3+]CC1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC(O)C1 ZINC001343392686 889898463 /nfs/dbraw/zinc/89/84/63/889898463.db2.gz RMRQNHPTLGCLQT-IBQNZTRDSA-N 2 1 267.373 -0.171 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001343394434 889898985 /nfs/dbraw/zinc/89/89/85/889898985.db2.gz ZCYLOKUYEGLBCS-YPMHNXCESA-N 2 1 273.377 -0.816 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC001343407623 889903253 /nfs/dbraw/zinc/90/32/53/889903253.db2.gz HHLIGCIHVCVDEH-CYBMUJFWSA-N 2 1 263.341 -0.172 20 0 CBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C[C@H](O)C[NH3+])C1 ZINC001343445750 889908443 /nfs/dbraw/zinc/90/84/43/889908443.db2.gz XYKXACOEQJYVDV-STQMWFEESA-N 2 1 269.389 -0.114 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1(C[NH3+])CC(O)C1 ZINC001343444824 889910498 /nfs/dbraw/zinc/91/04/98/889910498.db2.gz MPIAQUSYSQWZNV-LMAKZCADSA-N 2 1 267.373 -0.315 20 0 CBADMP C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)[C@H]1CN(C)CC[N@@H+]1C ZINC001343492034 889921538 /nfs/dbraw/zinc/92/15/38/889921538.db2.gz UTSIWRXHKLHHCB-YNEHKIRRSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)[C@H]1CN(C)CC[N@H+]1C ZINC001343492034 889921549 /nfs/dbraw/zinc/92/15/49/889921549.db2.gz UTSIWRXHKLHHCB-YNEHKIRRSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)[C@H]1C[N@@H+](C)CCN1C ZINC001343492034 889921514 /nfs/dbraw/zinc/92/15/14/889921514.db2.gz UTSIWRXHKLHHCB-YNEHKIRRSA-N 2 1 268.405 -0.121 20 0 CBADMP CC[NH2+]CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001343566107 889931087 /nfs/dbraw/zinc/93/10/87/889931087.db2.gz FBBGLGKRGRFCEY-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH2+]CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001343566105 889931690 /nfs/dbraw/zinc/93/16/90/889931690.db2.gz FBBGLGKRGRFCEY-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH2+]C1(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)CCC1 ZINC001343582218 889936204 /nfs/dbraw/zinc/93/62/04/889936204.db2.gz JJMZWSRNNRYWOV-NEPJUHHUSA-N 2 1 268.405 -0.121 20 0 CBADMP [NH3+]Cc1ncc(C(=O)NC[C@H]2C[NH2+]CCO2)s1 ZINC001343671217 889947882 /nfs/dbraw/zinc/94/78/82/889947882.db2.gz DRWOKIXFXWCHAR-SSDOTTSWSA-N 2 1 256.331 -0.680 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001345196776 890109998 /nfs/dbraw/zinc/10/99/98/890109998.db2.gz GEGNRLVJUARGJD-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001345198316 890110135 /nfs/dbraw/zinc/11/01/35/890110135.db2.gz RJZOQPNGWWQOLP-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC001345185524 890111079 /nfs/dbraw/zinc/11/10/79/890111079.db2.gz WKUWYLIFRSRGQG-QWHCGFSZSA-N 2 1 269.345 -0.316 20 0 CBADMP [NH3+][C@H](CC(F)F)C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001345443059 890130086 /nfs/dbraw/zinc/13/00/86/890130086.db2.gz APZVSCCTIWOEQV-SSDOTTSWSA-N 2 1 259.260 -0.093 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC[NH+]1CCCC1 ZINC001345536336 890139945 /nfs/dbraw/zinc/13/99/45/890139945.db2.gz JLJNAJHQXFVGPY-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001345955144 890185727 /nfs/dbraw/zinc/18/57/27/890185727.db2.gz CGJLIMSAEUUAKS-JSGCOSHPSA-N 3 1 268.405 -0.146 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001346018689 890198711 /nfs/dbraw/zinc/19/87/11/890198711.db2.gz ZJFWFQSKBZQMEY-NEPJUHHUSA-N 3 1 254.378 -0.523 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001346018689 890198716 /nfs/dbraw/zinc/19/87/16/890198716.db2.gz ZJFWFQSKBZQMEY-NEPJUHHUSA-N 3 1 254.378 -0.523 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+](C)C1CC1 ZINC001346309684 890264537 /nfs/dbraw/zinc/26/45/37/890264537.db2.gz ZPWRTFDTLJHFML-AAEUAGOBSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@H+](C)C1CC1 ZINC001346309684 890264543 /nfs/dbraw/zinc/26/45/43/890264543.db2.gz ZPWRTFDTLJHFML-AAEUAGOBSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@@H+](C)C1CC1 ZINC001346309684 890264563 /nfs/dbraw/zinc/26/45/63/890264563.db2.gz ZPWRTFDTLJHFML-AAEUAGOBSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)CN1CC[NH+](C)CC1 ZINC001346333143 890272257 /nfs/dbraw/zinc/27/22/57/890272257.db2.gz PGGIIHMNGUWGGE-ZIAGYGMSSA-N 2 1 299.463 -0.735 20 0 CBADMP Cc1cc(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)ncn1 ZINC001448888909 913443149 /nfs/dbraw/zinc/44/31/49/913443149.db2.gz MUJLHFBVSZZBHE-ZDUSSCGKSA-N 2 1 295.387 -0.697 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C)[NH+](C)C ZINC001347047610 890396542 /nfs/dbraw/zinc/39/65/42/890396542.db2.gz MAYYMZAMIKOEOW-SDDRHHMPSA-N 2 1 254.378 -0.559 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001347156970 890417927 /nfs/dbraw/zinc/41/79/27/890417927.db2.gz FYPJNMUYKUEDGP-DRZSPHRISA-N 2 1 267.373 -0.049 20 0 CBADMP CC[NH+](CC)CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001348416448 890621955 /nfs/dbraw/zinc/62/19/55/890621955.db2.gz XFBRWBVGMLNGHX-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP Cc1cncn1CC(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001348647597 890671801 /nfs/dbraw/zinc/67/18/01/890671801.db2.gz DSDHSCAMECJGIE-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001348647597 890671818 /nfs/dbraw/zinc/67/18/18/890671818.db2.gz DSDHSCAMECJGIE-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001448980969 913476913 /nfs/dbraw/zinc/47/69/13/913476913.db2.gz OHQOFGHFKRDJFB-CMPLNLGQSA-N 2 1 293.371 -0.483 20 0 CBADMP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001348958825 890736654 /nfs/dbraw/zinc/73/66/54/890736654.db2.gz YOZVUZSJIMVIJM-GOEBONIOSA-N 3 1 296.459 -0.331 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CC=CC1 ZINC001349075548 890756401 /nfs/dbraw/zinc/75/64/01/890756401.db2.gz XDGTUNIKBCJPDG-CHWSQXEVSA-N 2 1 264.373 -0.637 20 0 CBADMP [NH3+]CC1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC1 ZINC001349372926 890801960 /nfs/dbraw/zinc/80/19/60/890801960.db2.gz OUWCAEXWQTZBTM-UHFFFAOYSA-N 2 1 263.345 -0.134 20 0 CBADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)C2)nn1 ZINC001349399031 890805781 /nfs/dbraw/zinc/80/57/81/890805781.db2.gz VDXBCQGWBRCDJK-CQSZACIVSA-N 3 1 293.419 -0.721 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)C[NH+]1CCCC1 ZINC001449078023 913496555 /nfs/dbraw/zinc/49/65/55/913496555.db2.gz HJJCAFPJFBNINI-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC001349808788 890895151 /nfs/dbraw/zinc/89/51/51/890895151.db2.gz QWKDZUBNCLGSSR-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001349808648 890895487 /nfs/dbraw/zinc/89/54/87/890895487.db2.gz QGNCMMPIPGHATG-JQWIXIFHSA-N 2 1 282.388 -0.560 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC001350031944 890925477 /nfs/dbraw/zinc/92/54/77/890925477.db2.gz NCPDIJVKFYLCGD-LPWJVIDDSA-N 2 1 294.399 -0.417 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC2C[NH2+]C2)CC[N@@H+]1C ZINC001350041251 890925626 /nfs/dbraw/zinc/92/56/26/890925626.db2.gz KMNXPLGGTHFEMH-GFCCVEGCSA-N 2 1 282.388 -0.879 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC2C[NH2+]C2)CC[N@H+]1C ZINC001350041251 890925634 /nfs/dbraw/zinc/92/56/34/890925634.db2.gz KMNXPLGGTHFEMH-GFCCVEGCSA-N 2 1 282.388 -0.879 20 0 CBADMP O=C1OCCN1[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC001350398642 890976396 /nfs/dbraw/zinc/97/63/96/890976396.db2.gz QOTWQUVUUNNQHG-GFCCVEGCSA-N 2 1 268.361 -0.582 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC001350967565 891080698 /nfs/dbraw/zinc/08/06/98/891080698.db2.gz XJKQJGDWERMODE-JHJVBQTASA-N 2 1 296.415 -0.409 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC[N@H+]1C ZINC001350967565 891080704 /nfs/dbraw/zinc/08/07/04/891080704.db2.gz XJKQJGDWERMODE-JHJVBQTASA-N 2 1 296.415 -0.409 20 0 CBADMP CN(CCNC(=O)CCC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449170161 913528435 /nfs/dbraw/zinc/52/84/35/913528435.db2.gz FCWXAUDTIHYUHI-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCOCC[NH+](C)C ZINC001351731716 891177634 /nfs/dbraw/zinc/17/76/34/891177634.db2.gz NKVGFVZBKRXPNO-QWHCGFSZSA-N 2 1 284.404 -0.931 20 0 CBADMP C[C@@H](C(=O)NCCOCCC[NH3+])N1CC[NH+](C)CC1 ZINC001352849312 891308642 /nfs/dbraw/zinc/30/86/42/891308642.db2.gz FQVNNDUFYBTLQD-LBPRGKRZSA-N 2 1 272.393 -0.896 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC001352849234 891310007 /nfs/dbraw/zinc/31/00/07/891310007.db2.gz JSUBTBJWWJIDDI-RYUDHWBXSA-N 2 1 282.388 -0.558 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC001352862018 891312600 /nfs/dbraw/zinc/31/26/00/891312600.db2.gz LRCDQRIDPFUSIT-RWMBFGLXSA-N 2 1 268.405 -0.040 20 0 CBADMP Cc1[nH+]ccn1CCn1cc(COCC[NH3+])nn1 ZINC001352983349 891331801 /nfs/dbraw/zinc/33/18/01/891331801.db2.gz LLWOWHFZJOEVLR-UHFFFAOYSA-N 2 1 250.306 -0.041 20 0 CBADMP COCCOC[C@@H](O)C[NH2+][C@@H]1CCc2c[nH+]cn2C1 ZINC001353242422 891387819 /nfs/dbraw/zinc/38/78/19/891387819.db2.gz WKCMFPZBINMQQJ-YPMHNXCESA-N 2 1 269.345 -0.189 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC/C=C\C[NH3+])C1 ZINC001353489111 891433010 /nfs/dbraw/zinc/43/30/10/891433010.db2.gz NHEFKESWLNLZIF-BYCRGOAPSA-N 2 1 270.377 -0.354 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001353481787 891433809 /nfs/dbraw/zinc/43/38/09/891433809.db2.gz HSVLZPRLJYVOEM-QWHCGFSZSA-N 2 1 268.405 -0.262 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC001353535917 891444557 /nfs/dbraw/zinc/44/45/57/891444557.db2.gz WUGPBKDPUIBFTL-FOGDFJRCSA-N 2 1 257.378 -0.198 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1C[NH2+]CCN1C ZINC001353727708 891467665 /nfs/dbraw/zinc/46/76/65/891467665.db2.gz LKPCOPCQQKNNRI-JHJVBQTASA-N 2 1 268.405 -0.311 20 0 CBADMP [NH3+][C@H](CNCCCN1CC[NH2+]CC1)CC(F)F ZINC001353943029 891490611 /nfs/dbraw/zinc/49/06/11/891490611.db2.gz LCYQUXHIVWVLDY-JTQLQIEISA-N 2 1 250.337 -0.146 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCn2cncc2C1 ZINC001354018577 891498838 /nfs/dbraw/zinc/49/88/38/891498838.db2.gz HPZFKWXRKCVFGM-DGCLKSJQSA-N 2 1 264.329 -0.320 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC[NH2+]C1CC1 ZINC001354131679 891519403 /nfs/dbraw/zinc/51/94/03/891519403.db2.gz MMGBQYFZFICIJR-DGCLKSJQSA-N 2 1 266.389 -0.367 20 0 CBADMP COCCOC[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001354185756 891528910 /nfs/dbraw/zinc/52/89/10/891528910.db2.gz VNYWBSUGQILRGI-VOAKCMCISA-N 2 1 258.362 -0.178 20 0 CBADMP C[NH2+]CCCC(=O)N1CCC(N[C@H]2C[NH2+]CCOC2)CC1 ZINC001354238826 891545534 /nfs/dbraw/zinc/54/55/34/891545534.db2.gz YVWPDJCGWAGUCZ-AWEZNQCLSA-N 2 1 298.431 -0.445 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC001354329247 891565702 /nfs/dbraw/zinc/56/57/02/891565702.db2.gz DCTXPJIZSBCBCT-UTUOFQBUSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001354580087 891595978 /nfs/dbraw/zinc/59/59/78/891595978.db2.gz GEXOIIRCYYDOST-HBNTYKKESA-N 2 1 255.362 -0.220 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCN2CCC([NH3+])CC2)CC[N@H+]1C ZINC001354770743 891614788 /nfs/dbraw/zinc/61/47/88/891614788.db2.gz CRCJNCBLLBNONR-DGCLKSJQSA-N 2 1 268.405 -0.134 20 0 CBADMP [NH3+]C1(CC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC001356228492 891741538 /nfs/dbraw/zinc/74/15/38/891741538.db2.gz RYTGSXCGWFAXEO-RYUDHWBXSA-N 2 1 267.373 -0.075 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC[N@@H+]1C ZINC001356476079 891767515 /nfs/dbraw/zinc/76/75/15/891767515.db2.gz JWLXZLPYULIODT-JHJVBQTASA-N 2 1 296.415 -0.491 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC[N@H+]1C ZINC001356476079 891767523 /nfs/dbraw/zinc/76/75/23/891767523.db2.gz JWLXZLPYULIODT-JHJVBQTASA-N 2 1 296.415 -0.491 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C23CC(C2)C[NH2+]3)C1 ZINC001357384006 891882655 /nfs/dbraw/zinc/88/26/55/891882655.db2.gz CWVUMHQFHVOWRM-MQYJIDSJSA-N 2 1 294.399 -0.558 20 0 CBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)CNCC[NH3+])C1 ZINC001357427937 891889551 /nfs/dbraw/zinc/88/95/51/891889551.db2.gz HUGVECFUQXYJKJ-ZDUSSCGKSA-N 2 1 268.405 -0.275 20 0 CBADMP CN1CC[NH2+]C[C@H]1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001357431412 891892586 /nfs/dbraw/zinc/89/25/86/891892586.db2.gz USQFNWIYIPHNPV-AWEZNQCLSA-N 2 1 297.447 -0.966 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001357430721 891893015 /nfs/dbraw/zinc/89/30/15/891893015.db2.gz JKOQVDOWNSZIJV-SCRDCRAPSA-N 2 1 266.389 -0.652 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C12CCC(CC1)[NH2+]2 ZINC001357431787 891894701 /nfs/dbraw/zinc/89/47/01/891894701.db2.gz XULJZOBXATUZDC-MBHSVXNSSA-N 2 1 266.389 -0.367 20 0 CBADMP [NH3+]CCCOCCNC(=O)C[NH+]1CCC(CO)CC1 ZINC001357939313 891946425 /nfs/dbraw/zinc/94/64/25/891946425.db2.gz TUPLHEBYPQMGSO-UHFFFAOYSA-N 2 1 273.377 -0.828 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001357969178 891953710 /nfs/dbraw/zinc/95/37/10/891953710.db2.gz IBKPMTMROTVKNU-WUHRBBMRSA-N 2 1 264.373 -0.663 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[C@H]([NH3+])C1 ZINC001358129835 891974528 /nfs/dbraw/zinc/97/45/28/891974528.db2.gz FTVKEDYBMCTYML-SDDRHHMPSA-N 2 1 252.362 -0.676 20 0 CBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C1(O)COC1 ZINC001361932362 892320165 /nfs/dbraw/zinc/32/01/65/892320165.db2.gz UJKJIBJJPBQUCB-UHFFFAOYSA-N 2 1 285.388 -0.768 20 0 CBADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C1(O)COC1 ZINC001361932362 892320182 /nfs/dbraw/zinc/32/01/82/892320182.db2.gz UJKJIBJJPBQUCB-UHFFFAOYSA-N 2 1 285.388 -0.768 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362317327 892590776 /nfs/dbraw/zinc/59/07/76/892590776.db2.gz CTTHNEQLUHCEJI-WCQYABFASA-N 2 1 273.352 -0.397 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)CC[N@@H+]2CC[C@H](F)C2)C1 ZINC001362317327 892590782 /nfs/dbraw/zinc/59/07/82/892590782.db2.gz CTTHNEQLUHCEJI-WCQYABFASA-N 2 1 273.352 -0.397 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)CC[N@H+]2CC[C@H](F)C2)C1 ZINC001362317327 892590786 /nfs/dbraw/zinc/59/07/86/892590786.db2.gz CTTHNEQLUHCEJI-WCQYABFASA-N 2 1 273.352 -0.397 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC(N3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC001362480477 892712544 /nfs/dbraw/zinc/71/25/44/892712544.db2.gz JOVQUJSKHWNKRP-TZMCWYRMSA-N 2 1 280.416 -0.215 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001362484752 892718554 /nfs/dbraw/zinc/71/85/54/892718554.db2.gz SYCCFFOHVGDTAZ-ZDUSSCGKSA-N 2 1 280.416 -0.214 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)C[C@H](C)[NH2+]1 ZINC001363024433 893276085 /nfs/dbraw/zinc/27/60/85/893276085.db2.gz PROFPCRPAGOYIU-REWJHTLYSA-N 2 1 280.416 -0.026 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001363032549 893284168 /nfs/dbraw/zinc/28/41/68/893284168.db2.gz XTMYWVRSMSJWAU-OLZOCXBDSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001363032549 893284186 /nfs/dbraw/zinc/28/41/86/893284186.db2.gz XTMYWVRSMSJWAU-OLZOCXBDSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001363032549 893284202 /nfs/dbraw/zinc/28/42/02/893284202.db2.gz XTMYWVRSMSJWAU-OLZOCXBDSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001363032549 893284221 /nfs/dbraw/zinc/28/42/21/893284221.db2.gz XTMYWVRSMSJWAU-OLZOCXBDSA-N 2 1 287.379 -0.055 20 0 CBADMP CN1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001363127508 893384590 /nfs/dbraw/zinc/38/45/90/893384590.db2.gz LIGFLKJSDIFDQT-CQSZACIVSA-N 2 1 298.431 -0.803 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001363127508 893384632 /nfs/dbraw/zinc/38/46/32/893384632.db2.gz LIGFLKJSDIFDQT-CQSZACIVSA-N 2 1 298.431 -0.803 20 0 CBADMP CN1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001363127506 893384836 /nfs/dbraw/zinc/38/48/36/893384836.db2.gz LIGFLKJSDIFDQT-AWEZNQCLSA-N 2 1 298.431 -0.803 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001363127506 893384880 /nfs/dbraw/zinc/38/48/80/893384880.db2.gz LIGFLKJSDIFDQT-AWEZNQCLSA-N 2 1 298.431 -0.803 20 0 CBADMP O[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CC1(O)CCOCC1 ZINC001363200377 893450068 /nfs/dbraw/zinc/45/00/68/893450068.db2.gz PZVTYCQWDHCNQQ-XQQFMLRXSA-N 2 1 270.373 -0.570 20 0 CBADMP C[NH+](C)C1(C(=O)NC2CC[NH+](CC(N)=O)CC2)CCCC1 ZINC001363357793 893609390 /nfs/dbraw/zinc/60/93/90/893609390.db2.gz IMNOPMMXLPLZOW-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC([NH2+]C3CCOCC3)C2)C1 ZINC001363429495 893672722 /nfs/dbraw/zinc/67/27/22/893672722.db2.gz HHFAKZODPNEWDN-AWEZNQCLSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC([NH2+]C3CCOCC3)C2)C1 ZINC001363429495 893672734 /nfs/dbraw/zinc/67/27/34/893672734.db2.gz HHFAKZODPNEWDN-AWEZNQCLSA-N 2 1 297.399 -0.314 20 0 CBADMP O=C1C[C@H](C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CN1 ZINC001363776067 893983539 /nfs/dbraw/zinc/98/35/39/893983539.db2.gz AYRAWYWRFYPIGY-ZDUSSCGKSA-N 2 1 297.399 -0.718 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H]2CC[NH+](C)[C@H]2C1 ZINC001363791764 893994749 /nfs/dbraw/zinc/99/47/49/893994749.db2.gz NORIIKWOSIIBCQ-RDBSUJKOSA-N 2 1 271.405 -0.439 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001363791764 893994761 /nfs/dbraw/zinc/99/47/61/893994761.db2.gz NORIIKWOSIIBCQ-RDBSUJKOSA-N 2 1 271.405 -0.439 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001363791764 893994771 /nfs/dbraw/zinc/99/47/71/893994771.db2.gz NORIIKWOSIIBCQ-RDBSUJKOSA-N 2 1 271.405 -0.439 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H]3CNC(=O)C3)CC2)C1 ZINC001363790496 893995827 /nfs/dbraw/zinc/99/58/27/893995827.db2.gz DBIYYHTWXMWISA-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP CCc1nccn1CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001364060849 894169513 /nfs/dbraw/zinc/16/95/13/894169513.db2.gz TYYWBKJHWAEMAL-OLZOCXBDSA-N 2 1 291.399 -0.050 20 0 CBADMP CCc1[nH+]ccn1CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001364060849 894169534 /nfs/dbraw/zinc/16/95/34/894169534.db2.gz TYYWBKJHWAEMAL-OLZOCXBDSA-N 2 1 291.399 -0.050 20 0 CBADMP C[C@H](O)[C@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001364388751 894384142 /nfs/dbraw/zinc/38/41/42/894384142.db2.gz ZSMGSENVITTZRE-STQMWFEESA-N 2 1 272.389 -0.085 20 0 CBADMP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001364482443 894450750 /nfs/dbraw/zinc/45/07/50/894450750.db2.gz YHTBWVGGYNHFHZ-LBPRGKRZSA-N 2 1 290.429 -0.190 20 0 CBADMP Cc1[nH+]ccn1CCC[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001364530302 894479951 /nfs/dbraw/zinc/47/99/51/894479951.db2.gz NCHNHGJJGSMKJX-HNNXBMFYSA-N 2 1 294.399 -0.039 20 0 CBADMP Cc1[nH+]ccn1CCC[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001364530302 894479962 /nfs/dbraw/zinc/47/99/62/894479962.db2.gz NCHNHGJJGSMKJX-HNNXBMFYSA-N 2 1 294.399 -0.039 20 0 CBADMP C[NH+]1CCC(NC(=O)CN2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)CC1 ZINC001364830377 894643340 /nfs/dbraw/zinc/64/33/40/894643340.db2.gz MKNGXCPWDQUPIE-JSGCOSHPSA-N 2 1 298.406 -0.075 20 0 CBADMP C[NH+]1CCC(NC(=O)CN2CC[N@H+]3C[C@@H](F)C[C@H]3C2)CC1 ZINC001364830377 894643344 /nfs/dbraw/zinc/64/33/44/894643344.db2.gz MKNGXCPWDQUPIE-JSGCOSHPSA-N 2 1 298.406 -0.075 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001365786425 895123662 /nfs/dbraw/zinc/12/36/62/895123662.db2.gz UMHIVWDNADBXQP-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001365827113 895127885 /nfs/dbraw/zinc/12/78/85/895127885.db2.gz RGVAGALFESKNQQ-UTUOFQBUSA-N 2 1 284.404 -0.314 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001365834878 895131651 /nfs/dbraw/zinc/13/16/51/895131651.db2.gz QWKXCPHZDIGZMC-SYQHCUMBSA-N 2 1 299.415 -0.428 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CCCO ZINC001365897014 895138093 /nfs/dbraw/zinc/13/80/93/895138093.db2.gz PGXDQYDBANTEKX-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CCCO ZINC001365897014 895138098 /nfs/dbraw/zinc/13/80/98/895138098.db2.gz PGXDQYDBANTEKX-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940591 895145197 /nfs/dbraw/zinc/14/51/97/895145197.db2.gz HNRCQTKOYBXWCS-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940591 895145200 /nfs/dbraw/zinc/14/52/00/895145200.db2.gz HNRCQTKOYBXWCS-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940588 895145561 /nfs/dbraw/zinc/14/55/61/895145561.db2.gz OTGGCYCOHLIKNC-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940588 895145568 /nfs/dbraw/zinc/14/55/68/895145568.db2.gz OTGGCYCOHLIKNC-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940037 895145661 /nfs/dbraw/zinc/14/56/61/895145661.db2.gz NIDGTAOFNNIFRV-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001365953395 895148780 /nfs/dbraw/zinc/14/87/80/895148780.db2.gz SUNULMCJPRXKBB-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001365971858 895157297 /nfs/dbraw/zinc/15/72/97/895157297.db2.gz CFOTZFPDGDFSBI-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001366095278 895188281 /nfs/dbraw/zinc/18/82/81/895188281.db2.gz XXIGNSHLNHUDEG-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001366104002 895191121 /nfs/dbraw/zinc/19/11/21/895191121.db2.gz WMABOOHFNGXION-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001366137099 895200820 /nfs/dbraw/zinc/20/08/20/895200820.db2.gz NSCGDHZJLBMEQO-SRVKXCTJSA-N 2 1 284.404 -0.301 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366128113 895202156 /nfs/dbraw/zinc/20/21/56/895202156.db2.gz NSQPVGBBYIEMFO-JHJVBQTASA-N 2 1 296.415 -0.301 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001366130148 895202362 /nfs/dbraw/zinc/20/23/62/895202362.db2.gz ZZESWDAPABHHAL-ZDEQEGDKSA-N 2 1 285.388 -0.818 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001366157711 895210329 /nfs/dbraw/zinc/21/03/29/895210329.db2.gz XVFTVNZKTLNRRQ-GRYCIOLGSA-N 2 1 282.388 -0.594 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001366182050 895216071 /nfs/dbraw/zinc/21/60/71/895216071.db2.gz ANQXNIXFOOAZQH-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21)[NH+](C)C ZINC001366237839 895228707 /nfs/dbraw/zinc/22/87/07/895228707.db2.gz DDHASRBHEDECQA-NAWOPXAZSA-N 2 1 296.415 -0.507 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21)[NH+](C)C ZINC001366237839 895228719 /nfs/dbraw/zinc/22/87/19/895228719.db2.gz DDHASRBHEDECQA-NAWOPXAZSA-N 2 1 296.415 -0.507 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001366312825 895272610 /nfs/dbraw/zinc/27/26/10/895272610.db2.gz SQGNQPNKMQUYQS-GHMZBOCLSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001366312825 895272624 /nfs/dbraw/zinc/27/26/24/895272624.db2.gz SQGNQPNKMQUYQS-GHMZBOCLSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cn(C)nn1 ZINC001366324787 895277705 /nfs/dbraw/zinc/27/77/05/895277705.db2.gz RCMWCCLOTIHYAA-NSHDSACASA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ncnn1C ZINC001366332221 895282620 /nfs/dbraw/zinc/28/26/20/895282620.db2.gz JCYADEHBPMRMGY-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ncnn1C ZINC001366332221 895282630 /nfs/dbraw/zinc/28/26/30/895282630.db2.gz JCYADEHBPMRMGY-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ncnn1C ZINC001366332234 895283086 /nfs/dbraw/zinc/28/30/86/895283086.db2.gz JCYADEHBPMRMGY-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ncnn1C ZINC001366332234 895283095 /nfs/dbraw/zinc/28/30/95/895283095.db2.gz JCYADEHBPMRMGY-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001366358636 895289713 /nfs/dbraw/zinc/28/97/13/895289713.db2.gz QBUBFKUFFXLRRR-JQWIXIFHSA-N 2 1 284.360 -0.707 20 0 CBADMP CC[C@H]([NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001366357668 895290822 /nfs/dbraw/zinc/29/08/22/895290822.db2.gz MFTHUDANQQWPHH-ONGXEEELSA-N 2 1 281.360 -0.450 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001366358229 895291976 /nfs/dbraw/zinc/29/19/76/895291976.db2.gz NPFHODZCHQPVAA-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001366388629 895306276 /nfs/dbraw/zinc/30/62/76/895306276.db2.gz KFJIYWAIMIZHCL-STQMWFEESA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001366392623 895308618 /nfs/dbraw/zinc/30/86/18/895308618.db2.gz PVPYGUSKGBBIMY-STQMWFEESA-N 2 1 296.371 -0.611 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001366396821 895310488 /nfs/dbraw/zinc/31/04/88/895310488.db2.gz XMRCNYCWMRGZQW-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001366410684 895314049 /nfs/dbraw/zinc/31/40/49/895314049.db2.gz MYIDZKLEKSDBDP-LBPRGKRZSA-N 2 1 293.371 -0.624 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001366541390 895366753 /nfs/dbraw/zinc/36/67/53/895366753.db2.gz QTRBNKKSMWHBTB-NEPJUHHUSA-N 2 1 284.404 -0.491 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001366541390 895366771 /nfs/dbraw/zinc/36/67/71/895366771.db2.gz QTRBNKKSMWHBTB-NEPJUHHUSA-N 2 1 284.404 -0.491 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)[C@H]2CCNC2=O)C1 ZINC001366565737 895380004 /nfs/dbraw/zinc/38/00/04/895380004.db2.gz LMCWEKOFOQDWHY-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)[C@H]2CCNC2=O)C1 ZINC001366565737 895380019 /nfs/dbraw/zinc/38/00/19/895380019.db2.gz LMCWEKOFOQDWHY-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001366565737 895380033 /nfs/dbraw/zinc/38/00/33/895380033.db2.gz LMCWEKOFOQDWHY-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001366565737 895380047 /nfs/dbraw/zinc/38/00/47/895380047.db2.gz LMCWEKOFOQDWHY-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001366565309 895384695 /nfs/dbraw/zinc/38/46/95/895384695.db2.gz ZDXHOFIEGOGRIJ-LLVKDONJSA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001366565309 895384708 /nfs/dbraw/zinc/38/47/08/895384708.db2.gz ZDXHOFIEGOGRIJ-LLVKDONJSA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001366565309 895384718 /nfs/dbraw/zinc/38/47/18/895384718.db2.gz ZDXHOFIEGOGRIJ-LLVKDONJSA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001366565309 895384730 /nfs/dbraw/zinc/38/47/30/895384730.db2.gz ZDXHOFIEGOGRIJ-LLVKDONJSA-N 2 1 286.420 -0.114 20 0 CBADMP C[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1CCNC1=O ZINC001366562949 895385043 /nfs/dbraw/zinc/38/50/43/895385043.db2.gz HKNVSUZPGCVMKB-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1CCNC1=O ZINC001366562949 895385059 /nfs/dbraw/zinc/38/50/59/895385059.db2.gz HKNVSUZPGCVMKB-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH+](CC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O)CC(C)(C)C ZINC001366562949 895385075 /nfs/dbraw/zinc/38/50/75/895385075.db2.gz HKNVSUZPGCVMKB-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH+](CC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O)CC(C)(C)C ZINC001366562949 895385091 /nfs/dbraw/zinc/38/50/91/895385091.db2.gz HKNVSUZPGCVMKB-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CN1CCC[C@@H]([N@H+](C)CCNC(=O)CCC[NH+](C)C)C1=O ZINC001366564341 895385307 /nfs/dbraw/zinc/38/53/07/895385307.db2.gz LDTDHXWCMHSMHJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CN1CCC[C@@H]([N@@H+](C)CCNC(=O)CCC[NH+](C)C)C1=O ZINC001366564341 895385323 /nfs/dbraw/zinc/38/53/23/895385323.db2.gz LDTDHXWCMHSMHJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)CN(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001366587740 895394041 /nfs/dbraw/zinc/39/40/41/895394041.db2.gz YDUFEOIDEAOWNZ-NSHDSACASA-N 2 1 270.377 -0.878 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCN(C)C1=O ZINC001366602629 895405145 /nfs/dbraw/zinc/40/51/45/895405145.db2.gz HFUGQMVIUMULBE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCN(C)C1=O ZINC001366602629 895405147 /nfs/dbraw/zinc/40/51/47/895405147.db2.gz HFUGQMVIUMULBE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCN(C)C1=O ZINC001366602629 895405151 /nfs/dbraw/zinc/40/51/51/895405151.db2.gz HFUGQMVIUMULBE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1CCNC1=O ZINC001366618186 895410369 /nfs/dbraw/zinc/41/03/69/895410369.db2.gz XNAQBYJBMZWDCO-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)[C@H](C)C(N)=O ZINC001366633140 895416591 /nfs/dbraw/zinc/41/65/91/895416591.db2.gz ZLGCUJBKIIYPJL-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CC1)[C@H](C)C(N)=O ZINC001366633140 895416596 /nfs/dbraw/zinc/41/65/96/895416596.db2.gz ZLGCUJBKIIYPJL-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001366651717 895422892 /nfs/dbraw/zinc/42/28/92/895422892.db2.gz NCBSPJILEILXII-JSGCOSHPSA-N 2 1 298.431 -0.101 20 0 CBADMP O=C(Cc1c[nH]cn1)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001366700094 895435647 /nfs/dbraw/zinc/43/56/47/895435647.db2.gz UXOUDPDAPBUURX-PWSUYJOCSA-N 2 1 291.355 -0.721 20 0 CBADMP O=C(Cc1c[nH]cn1)NC[C@H]1CCN([C@H]2CCNC2=O)C1 ZINC001366700094 895435661 /nfs/dbraw/zinc/43/56/61/895435661.db2.gz UXOUDPDAPBUURX-PWSUYJOCSA-N 2 1 291.355 -0.721 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H]1CC[NH+](CC(N)=O)C1)CC(C)(C)C ZINC001366698881 895436423 /nfs/dbraw/zinc/43/64/23/895436423.db2.gz NMUYTSRVBATQOA-GFCCVEGCSA-N 2 1 298.431 -0.112 20 0 CBADMP COC[C@@H](C)[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001366732695 895444595 /nfs/dbraw/zinc/44/45/95/895444595.db2.gz MCBIONMPHNFIOU-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@@H](C)[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001366732695 895444602 /nfs/dbraw/zinc/44/46/02/895444602.db2.gz MCBIONMPHNFIOU-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@@H](C)[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001366732695 895444612 /nfs/dbraw/zinc/44/46/12/895444612.db2.gz MCBIONMPHNFIOU-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@@H](C)[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001366732695 895444620 /nfs/dbraw/zinc/44/46/20/895444620.db2.gz MCBIONMPHNFIOU-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001366824438 895466723 /nfs/dbraw/zinc/46/67/23/895466723.db2.gz QZTZAKXSYSUNIO-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001366824438 895466730 /nfs/dbraw/zinc/46/67/30/895466730.db2.gz QZTZAKXSYSUNIO-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCC[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001366824438 895466735 /nfs/dbraw/zinc/46/67/35/895466735.db2.gz QZTZAKXSYSUNIO-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCC[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001366824438 895466741 /nfs/dbraw/zinc/46/67/41/895466741.db2.gz QZTZAKXSYSUNIO-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP COC[C@@H](C)N1CC(NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001366948579 895497582 /nfs/dbraw/zinc/49/75/82/895497582.db2.gz KAHGIVDVCOCXOY-QWHCGFSZSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[C@@H](C(=O)NCC1C[NH+]([C@@H](CC)C(N)=O)C1)[NH+](C)C ZINC001366979001 895511489 /nfs/dbraw/zinc/51/14/89/895511489.db2.gz WBUXXNGGEVVHFQ-RYUDHWBXSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001366979000 895513193 /nfs/dbraw/zinc/51/31/93/895513193.db2.gz WBUXXNGGEVVHFQ-NEPJUHHUSA-N 2 1 284.404 -0.362 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC1C[NH+]([C@H](CC)C(N)=O)C1 ZINC001366983832 895515621 /nfs/dbraw/zinc/51/56/21/895515621.db2.gz DMTOGEKAJASXAE-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1C[NH+]([C@H](CC)C(N)=O)C1 ZINC001366983832 895515625 /nfs/dbraw/zinc/51/56/25/895515625.db2.gz DMTOGEKAJASXAE-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP C[N@H+](CC(=O)N[C@H]1CC[NH+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001367007855 895524864 /nfs/dbraw/zinc/52/48/64/895524864.db2.gz BTAVQVGIEYZBGB-AAEUAGOBSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1CC[NH+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001367007855 895524876 /nfs/dbraw/zinc/52/48/76/895524876.db2.gz BTAVQVGIEYZBGB-AAEUAGOBSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+](CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001367007855 895524897 /nfs/dbraw/zinc/52/48/97/895524897.db2.gz BTAVQVGIEYZBGB-AAEUAGOBSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+](CC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001367007855 895524911 /nfs/dbraw/zinc/52/49/11/895524911.db2.gz BTAVQVGIEYZBGB-AAEUAGOBSA-N 2 1 294.399 -0.450 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001367011248 895526064 /nfs/dbraw/zinc/52/60/64/895526064.db2.gz RWRGCVBBHJJRFI-STQMWFEESA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001367015505 895530044 /nfs/dbraw/zinc/53/00/44/895530044.db2.gz HTSUSVYHZDRIRR-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001367016530 895531402 /nfs/dbraw/zinc/53/14/02/895531402.db2.gz HVOTYPWOSAJRBS-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COC[C@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001367016530 895531416 /nfs/dbraw/zinc/53/14/16/895531416.db2.gz HVOTYPWOSAJRBS-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001367033302 895544267 /nfs/dbraw/zinc/54/42/67/895544267.db2.gz PRZVAFKNTVCJMC-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001367033302 895544274 /nfs/dbraw/zinc/54/42/74/895544274.db2.gz PRZVAFKNTVCJMC-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001367061241 895554160 /nfs/dbraw/zinc/55/41/60/895554160.db2.gz IUNCNTCWVSPMOU-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001367061241 895554166 /nfs/dbraw/zinc/55/41/66/895554166.db2.gz IUNCNTCWVSPMOU-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001367061241 895554175 /nfs/dbraw/zinc/55/41/75/895554175.db2.gz IUNCNTCWVSPMOU-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001367061241 895554183 /nfs/dbraw/zinc/55/41/83/895554183.db2.gz IUNCNTCWVSPMOU-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+][C@H]1CCNC1=O ZINC001367110947 895567483 /nfs/dbraw/zinc/56/74/83/895567483.db2.gz HORQZMGJKWPJER-NEPJUHHUSA-N 2 1 293.371 -0.436 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001367221868 895585740 /nfs/dbraw/zinc/58/57/40/895585740.db2.gz ITTXATNXZLSSHM-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367280537 895602791 /nfs/dbraw/zinc/60/27/91/895602791.db2.gz AIYLUISJXJLLKZ-QWHCGFSZSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001367363484 895624525 /nfs/dbraw/zinc/62/45/25/895624525.db2.gz WDYGKTKIOJWDDB-NEPJUHHUSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001367363484 895624540 /nfs/dbraw/zinc/62/45/40/895624540.db2.gz WDYGKTKIOJWDDB-NEPJUHHUSA-N 2 1 294.403 -0.154 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001367416948 895636597 /nfs/dbraw/zinc/63/65/97/895636597.db2.gz SFWKXLXXQARAHM-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001367509274 895647335 /nfs/dbraw/zinc/64/73/35/895647335.db2.gz FXDQPTKERRFXSH-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001367509274 895647339 /nfs/dbraw/zinc/64/73/39/895647339.db2.gz FXDQPTKERRFXSH-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001367509274 895647345 /nfs/dbraw/zinc/64/73/45/895647345.db2.gz FXDQPTKERRFXSH-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001367509274 895647350 /nfs/dbraw/zinc/64/73/50/895647350.db2.gz FXDQPTKERRFXSH-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001367537078 895657186 /nfs/dbraw/zinc/65/71/86/895657186.db2.gz YSZFGFVVYVCOST-LBPRGKRZSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001367537078 895657194 /nfs/dbraw/zinc/65/71/94/895657194.db2.gz YSZFGFVVYVCOST-LBPRGKRZSA-N 2 1 298.431 -0.018 20 0 CBADMP CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001367629508 895712466 /nfs/dbraw/zinc/71/24/66/895712466.db2.gz XAXGCPOAMXYSBH-PWSUYJOCSA-N 2 1 284.360 -0.707 20 0 CBADMP COC[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001367629766 895714466 /nfs/dbraw/zinc/71/44/66/895714466.db2.gz YJMQMLQQDUBLSI-JQWIXIFHSA-N 2 1 284.360 -0.707 20 0 CBADMP CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001367636095 895717353 /nfs/dbraw/zinc/71/73/53/895717353.db2.gz BWJLVYQPWBKUEO-ZYHUDNBSSA-N 2 1 295.387 -0.060 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367669744 895734005 /nfs/dbraw/zinc/73/40/05/895734005.db2.gz AKSIHILBABCEDS-IJLUTSLNSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367669744 895734017 /nfs/dbraw/zinc/73/40/17/895734017.db2.gz AKSIHILBABCEDS-IJLUTSLNSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367711393 895757872 /nfs/dbraw/zinc/75/78/72/895757872.db2.gz FLNDBURUDKBBPC-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001367706795 895761662 /nfs/dbraw/zinc/76/16/62/895761662.db2.gz SMQBKZUTKNATMI-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367708561 895762270 /nfs/dbraw/zinc/76/22/70/895762270.db2.gz XQMJXPPXBAYSBY-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001367739173 895782943 /nfs/dbraw/zinc/78/29/43/895782943.db2.gz GNUKMBMUQXHHCN-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367748972 895787254 /nfs/dbraw/zinc/78/72/54/895787254.db2.gz HWHIHRVFXZJTRQ-CMPLNLGQSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367748972 895787271 /nfs/dbraw/zinc/78/72/71/895787271.db2.gz HWHIHRVFXZJTRQ-CMPLNLGQSA-N 2 1 280.376 -0.496 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001367770580 895802502 /nfs/dbraw/zinc/80/25/02/895802502.db2.gz DYXOKRZLVZYEGB-GUTXKFCHSA-N 2 1 299.415 -0.426 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001367778158 895803518 /nfs/dbraw/zinc/80/35/18/895803518.db2.gz XULXHWLAOYDDBK-CMPLNLGQSA-N 2 1 295.387 -0.237 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367852328 895833836 /nfs/dbraw/zinc/83/38/36/895833836.db2.gz RPWPGKOPJJHWPB-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367852328 895833848 /nfs/dbraw/zinc/83/38/48/895833848.db2.gz RPWPGKOPJJHWPB-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001367985351 895882249 /nfs/dbraw/zinc/88/22/49/895882249.db2.gz SLPYHRRHUMRGFX-QWHCGFSZSA-N 2 1 297.399 -0.720 20 0 CBADMP CC[C@H]([NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1)C(N)=O ZINC001368014747 895893328 /nfs/dbraw/zinc/89/33/28/895893328.db2.gz QANVARBVSPEZOS-NWDGAFQWSA-N 2 1 296.415 -0.027 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001368117214 895920383 /nfs/dbraw/zinc/92/03/83/895920383.db2.gz ABJITXNPKMMIAE-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001368162355 895923948 /nfs/dbraw/zinc/92/39/48/895923948.db2.gz NBLRTAKAOGYUQV-FZMZJTMJSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001368162355 895923965 /nfs/dbraw/zinc/92/39/65/895923965.db2.gz NBLRTAKAOGYUQV-FZMZJTMJSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001368161899 895923986 /nfs/dbraw/zinc/92/39/86/895923986.db2.gz MTKYIALYCJSHNQ-FZMZJTMJSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001368161900 895925939 /nfs/dbraw/zinc/92/59/39/895925939.db2.gz MTKYIALYCJSHNQ-RISCZKNCSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001368259078 895951522 /nfs/dbraw/zinc/95/15/22/895951522.db2.gz JJDFGPSMXIJUGZ-OCCSQVGLSA-N 2 1 287.404 -0.738 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001368465458 896015195 /nfs/dbraw/zinc/01/51/95/896015195.db2.gz NDYSOOIYFFKIEN-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001368521198 896025922 /nfs/dbraw/zinc/02/59/22/896025922.db2.gz KBIRWIPMIZSFRM-ZDEQEGDKSA-N 2 1 296.415 -0.314 20 0 CBADMP CC(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001368531726 896028896 /nfs/dbraw/zinc/02/88/96/896028896.db2.gz ZIRJNQKGVSTQRB-KGLIPLIRSA-N 2 1 299.415 -0.210 20 0 CBADMP CC(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001368531726 896028909 /nfs/dbraw/zinc/02/89/09/896028909.db2.gz ZIRJNQKGVSTQRB-KGLIPLIRSA-N 2 1 299.415 -0.210 20 0 CBADMP CC(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001368531722 896030436 /nfs/dbraw/zinc/03/04/36/896030436.db2.gz ZIRJNQKGVSTQRB-KBPBESRZSA-N 2 1 299.415 -0.210 20 0 CBADMP CC(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001368531722 896030442 /nfs/dbraw/zinc/03/04/42/896030442.db2.gz ZIRJNQKGVSTQRB-KBPBESRZSA-N 2 1 299.415 -0.210 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001368536720 896032124 /nfs/dbraw/zinc/03/21/24/896032124.db2.gz MYZXMVODZXHSHG-LPWJVIDDSA-N 2 1 296.415 -0.443 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001368568400 896039051 /nfs/dbraw/zinc/03/90/51/896039051.db2.gz WIQRQAHEHSAYNH-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001368568400 896039058 /nfs/dbraw/zinc/03/90/58/896039058.db2.gz WIQRQAHEHSAYNH-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001368568400 896039065 /nfs/dbraw/zinc/03/90/65/896039065.db2.gz WIQRQAHEHSAYNH-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001368588212 896040829 /nfs/dbraw/zinc/04/08/29/896040829.db2.gz HANGFAYCPQPMPQ-HAQNSBGRSA-N 2 1 298.431 -0.066 20 0 CBADMP NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC001368641862 896051964 /nfs/dbraw/zinc/05/19/64/896051964.db2.gz SYOUTQQSPZADSR-WDEREUQCSA-N 2 1 293.371 -0.298 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001368662513 896053784 /nfs/dbraw/zinc/05/37/84/896053784.db2.gz XELORNXOBATUOM-MNOVXSKESA-N 2 1 295.391 -0.902 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC)[C@@H](C)C1 ZINC001368663837 896054487 /nfs/dbraw/zinc/05/44/87/896054487.db2.gz FLKGJCMWBGHELY-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC1([NH2+]CCO)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001368662067 896055615 /nfs/dbraw/zinc/05/56/15/896055615.db2.gz URLJWJJTIRAZBR-UHFFFAOYSA-N 2 1 299.415 -0.328 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001368730323 896070112 /nfs/dbraw/zinc/07/01/12/896070112.db2.gz HNICUGZYFRQFJE-AVGNSLFASA-N 2 1 298.431 -0.053 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(N)=O)CC1 ZINC001368797326 896082752 /nfs/dbraw/zinc/08/27/52/896082752.db2.gz NOIQDDWNPPGWAR-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC(N)=O)CC1 ZINC001368797326 896082763 /nfs/dbraw/zinc/08/27/63/896082763.db2.gz NOIQDDWNPPGWAR-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001368789915 896083034 /nfs/dbraw/zinc/08/30/34/896083034.db2.gz JYIYOCNPWCFNOK-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001368789915 896083050 /nfs/dbraw/zinc/08/30/50/896083050.db2.gz JYIYOCNPWCFNOK-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001368789915 896083061 /nfs/dbraw/zinc/08/30/61/896083061.db2.gz JYIYOCNPWCFNOK-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001368789915 896083073 /nfs/dbraw/zinc/08/30/73/896083073.db2.gz JYIYOCNPWCFNOK-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CC(C[NH2+][C@H](C)C(=O)NC)C1 ZINC001368820937 896090845 /nfs/dbraw/zinc/09/08/45/896090845.db2.gz AQVMRVRYVIQWIF-PNESKVBLSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1nncn1C ZINC001368896845 896107209 /nfs/dbraw/zinc/10/72/09/896107209.db2.gz AWVKFMYBWCZTQS-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001368952607 896119960 /nfs/dbraw/zinc/11/99/60/896119960.db2.gz LHNKBQQRRIAXAW-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001368952607 896119967 /nfs/dbraw/zinc/11/99/67/896119967.db2.gz LHNKBQQRRIAXAW-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001368971098 896122580 /nfs/dbraw/zinc/12/25/80/896122580.db2.gz CQMPEZUXUWYVNH-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)CC(=O)N(C)C ZINC001369001760 896133471 /nfs/dbraw/zinc/13/34/71/896133471.db2.gz RXJJIKPYSVIONV-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)CC(=O)N(C)C ZINC001369001760 896133478 /nfs/dbraw/zinc/13/34/78/896133478.db2.gz RXJJIKPYSVIONV-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC001369001760 896133484 /nfs/dbraw/zinc/13/34/84/896133484.db2.gz RXJJIKPYSVIONV-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001369001760 896133490 /nfs/dbraw/zinc/13/34/90/896133490.db2.gz RXJJIKPYSVIONV-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCCC[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001369056803 896142630 /nfs/dbraw/zinc/14/26/30/896142630.db2.gz MXMXDIDCXACZDB-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001369090549 896151092 /nfs/dbraw/zinc/15/10/92/896151092.db2.gz RIVOAHQHLYZXIX-RYUDHWBXSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001369307442 896196791 /nfs/dbraw/zinc/19/67/91/896196791.db2.gz QVPQXTDMJQMUTO-OLZOCXBDSA-N 2 1 294.403 -0.334 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369309622 896199531 /nfs/dbraw/zinc/19/95/31/896199531.db2.gz VHYMILXPSMRXJW-MNOVXSKESA-N 2 1 270.377 -0.879 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369312475 896201562 /nfs/dbraw/zinc/20/15/62/896201562.db2.gz ZUXICFUHZNKASH-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001369323868 896214995 /nfs/dbraw/zinc/21/49/95/896214995.db2.gz HRTROESBKNVAGK-NWDGAFQWSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001369323868 896215008 /nfs/dbraw/zinc/21/50/08/896215008.db2.gz HRTROESBKNVAGK-NWDGAFQWSA-N 2 1 294.403 -0.154 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H](CO)[NH2+]CC1CC1 ZINC001369363618 896239326 /nfs/dbraw/zinc/23/93/26/896239326.db2.gz MPGZKCURBQUKJE-CYBMUJFWSA-N 2 1 285.388 -0.815 20 0 CBADMP C[C@@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CC[NH+](C)C ZINC001369396776 896257069 /nfs/dbraw/zinc/25/70/69/896257069.db2.gz SRDKMMZYMVSPNF-YPMHNXCESA-N 2 1 294.403 -0.154 20 0 CBADMP COCC[N@@H+](CCO)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001369559079 896316292 /nfs/dbraw/zinc/31/62/92/896316292.db2.gz NGEGEPCNAMHGPO-UHFFFAOYSA-N 2 1 299.415 -0.328 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001370404099 896423708 /nfs/dbraw/zinc/42/37/08/896423708.db2.gz JSQZHUSRQQIDNZ-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001370614072 896446867 /nfs/dbraw/zinc/44/68/67/896446867.db2.gz PKQSGWVLOHQLDO-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001370710990 896487211 /nfs/dbraw/zinc/48/72/11/896487211.db2.gz ILAMFZNYICBFSH-XQQFMLRXSA-N 2 1 296.415 -0.156 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CC(=O)NC)C1 ZINC001370786663 896498911 /nfs/dbraw/zinc/49/89/11/896498911.db2.gz UDPLCWVAKNGMKC-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001370786663 896498917 /nfs/dbraw/zinc/49/89/17/896498917.db2.gz UDPLCWVAKNGMKC-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001370786663 896498923 /nfs/dbraw/zinc/49/89/23/896498923.db2.gz UDPLCWVAKNGMKC-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001370982009 896529822 /nfs/dbraw/zinc/52/98/22/896529822.db2.gz WBLMVOJXBBUIRA-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCn1cncn1 ZINC001371192668 896572742 /nfs/dbraw/zinc/57/27/42/896572742.db2.gz XORTWGMOLIIPKA-YNEHKIRRSA-N 2 1 294.403 -0.287 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H](C)c1nnnn1C ZINC001371343958 896595119 /nfs/dbraw/zinc/59/51/19/896595119.db2.gz IBVJCPBYBNSACY-QWRGUYRKSA-N 2 1 297.407 -0.293 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001371361728 896599133 /nfs/dbraw/zinc/59/91/33/896599133.db2.gz GORGCPCHIYQSLF-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001371436576 896610905 /nfs/dbraw/zinc/61/09/05/896610905.db2.gz ZSPAMVQUYMMIMF-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001371436576 896610912 /nfs/dbraw/zinc/61/09/12/896610912.db2.gz ZSPAMVQUYMMIMF-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP CCn1ncnc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001371475383 896620676 /nfs/dbraw/zinc/62/06/76/896620676.db2.gz RZHZBBUOJKHAQJ-VXGBXAGGSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncnc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001371475383 896620684 /nfs/dbraw/zinc/62/06/84/896620684.db2.gz RZHZBBUOJKHAQJ-VXGBXAGGSA-N 2 1 294.403 -0.156 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001371523067 896629369 /nfs/dbraw/zinc/62/93/69/896629369.db2.gz SMPJHXDWBKZUDU-NEPJUHHUSA-N 2 1 293.371 -0.483 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001371543535 896632781 /nfs/dbraw/zinc/63/27/81/896632781.db2.gz GEQAHNDUMPPWOB-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001371560983 896636277 /nfs/dbraw/zinc/63/62/77/896636277.db2.gz FEPGUTXGTGZQSN-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001371612081 896644791 /nfs/dbraw/zinc/64/47/91/896644791.db2.gz FJQWSBNULUWPBR-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001371682416 896650859 /nfs/dbraw/zinc/65/08/59/896650859.db2.gz BBYXCKYMYBWETR-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001371682416 896650864 /nfs/dbraw/zinc/65/08/64/896650864.db2.gz BBYXCKYMYBWETR-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCN1CCNC1=O ZINC001371925440 896686685 /nfs/dbraw/zinc/68/66/85/896686685.db2.gz IQQVLNMLDWAMLJ-GFCCVEGCSA-N 2 1 297.403 -0.846 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CCN1CCNC1=O ZINC001371925440 896686691 /nfs/dbraw/zinc/68/66/91/896686691.db2.gz IQQVLNMLDWAMLJ-GFCCVEGCSA-N 2 1 297.403 -0.846 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CCN1CCNC1=O ZINC001371925440 896686695 /nfs/dbraw/zinc/68/66/95/896686695.db2.gz IQQVLNMLDWAMLJ-GFCCVEGCSA-N 2 1 297.403 -0.846 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001372104491 896728366 /nfs/dbraw/zinc/72/83/66/896728366.db2.gz UNAACWFTRLXLNS-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001372104491 896728379 /nfs/dbraw/zinc/72/83/79/896728379.db2.gz UNAACWFTRLXLNS-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001372104491 896728392 /nfs/dbraw/zinc/72/83/92/896728392.db2.gz UNAACWFTRLXLNS-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001372104491 896728406 /nfs/dbraw/zinc/72/84/06/896728406.db2.gz UNAACWFTRLXLNS-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001372104492 896728733 /nfs/dbraw/zinc/72/87/33/896728733.db2.gz UNAACWFTRLXLNS-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001372104492 896728746 /nfs/dbraw/zinc/72/87/46/896728746.db2.gz UNAACWFTRLXLNS-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001372104492 896728752 /nfs/dbraw/zinc/72/87/52/896728752.db2.gz UNAACWFTRLXLNS-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001372104492 896728760 /nfs/dbraw/zinc/72/87/60/896728760.db2.gz UNAACWFTRLXLNS-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001372157993 896736796 /nfs/dbraw/zinc/73/67/96/896736796.db2.gz LDINWNFGTGKGJG-LLVKDONJSA-N 2 1 272.393 -0.537 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001372157993 896736813 /nfs/dbraw/zinc/73/68/13/896736813.db2.gz LDINWNFGTGKGJG-LLVKDONJSA-N 2 1 272.393 -0.537 20 0 CBADMP CCN(C)C(=O)CN(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001372216479 896747697 /nfs/dbraw/zinc/74/76/97/896747697.db2.gz CGRADVHOYVJXST-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)CCCO ZINC001372224364 896749801 /nfs/dbraw/zinc/74/98/01/896749801.db2.gz MCQHOEQQNVDQLL-ZDUSSCGKSA-N 2 1 287.404 -0.615 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)[C@@H]1CCN(C)C1=O ZINC001372409893 896784907 /nfs/dbraw/zinc/78/49/07/896784907.db2.gz NNCVMSKKESUJFX-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC1CC1 ZINC001372478793 896789882 /nfs/dbraw/zinc/78/98/82/896789882.db2.gz ZWJRQXSEIYSTMA-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC1CC1 ZINC001372478793 896789893 /nfs/dbraw/zinc/78/98/93/896789893.db2.gz ZWJRQXSEIYSTMA-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NC1CC1 ZINC001372478793 896789905 /nfs/dbraw/zinc/78/99/05/896789905.db2.gz ZWJRQXSEIYSTMA-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NC1CC1 ZINC001372478793 896789918 /nfs/dbraw/zinc/78/99/18/896789918.db2.gz ZWJRQXSEIYSTMA-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001372657373 896828205 /nfs/dbraw/zinc/82/82/05/896828205.db2.gz YNRLZJWJDUJRJN-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001372651045 896829804 /nfs/dbraw/zinc/82/98/04/896829804.db2.gz NILDHDWBYXLZDX-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001372674149 896833300 /nfs/dbraw/zinc/83/33/00/896833300.db2.gz ZEMCRKIWDITQSB-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001372674149 896833318 /nfs/dbraw/zinc/83/33/18/896833318.db2.gz ZEMCRKIWDITQSB-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001372674149 896833334 /nfs/dbraw/zinc/83/33/34/896833334.db2.gz ZEMCRKIWDITQSB-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001372855915 896890199 /nfs/dbraw/zinc/89/01/99/896890199.db2.gz AXAZGDOWGYDXHL-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001372919068 896903960 /nfs/dbraw/zinc/90/39/60/896903960.db2.gz DNINQBPWUQSBRS-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1nnnn1C)[NH+](C)C ZINC001372932333 896905020 /nfs/dbraw/zinc/90/50/20/896905020.db2.gz AIERTAWPSLZWCP-WDEREUQCSA-N 2 1 297.407 -0.341 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001372945008 896908523 /nfs/dbraw/zinc/90/85/23/896908523.db2.gz JNRCJRRGRMREKP-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@H]([NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001372954588 896912606 /nfs/dbraw/zinc/91/26/06/896912606.db2.gz XFTOYXIBRGLABW-NSHDSACASA-N 2 1 281.360 -0.497 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[C@H]2CC[NH+](CCCO)C2)C1 ZINC001373157852 896950755 /nfs/dbraw/zinc/95/07/55/896950755.db2.gz WRUGXZBXBKHVMH-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[C@H]2CC[NH+](CCCO)C2)C1 ZINC001373157852 896950768 /nfs/dbraw/zinc/95/07/68/896950768.db2.gz WRUGXZBXBKHVMH-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCC[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001373157852 896950776 /nfs/dbraw/zinc/95/07/76/896950776.db2.gz WRUGXZBXBKHVMH-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCC[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001373157852 896950788 /nfs/dbraw/zinc/95/07/88/896950788.db2.gz WRUGXZBXBKHVMH-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373159557 896951648 /nfs/dbraw/zinc/95/16/48/896951648.db2.gz OWPWTBVDKFIQDO-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001373159557 896951641 /nfs/dbraw/zinc/95/16/41/896951641.db2.gz OWPWTBVDKFIQDO-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373159557 896951660 /nfs/dbraw/zinc/95/16/60/896951660.db2.gz OWPWTBVDKFIQDO-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001373195213 896953579 /nfs/dbraw/zinc/95/35/79/896953579.db2.gz KMHANBZHVARKJY-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373195213 896953598 /nfs/dbraw/zinc/95/35/98/896953598.db2.gz KMHANBZHVARKJY-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373195213 896953609 /nfs/dbraw/zinc/95/36/09/896953609.db2.gz KMHANBZHVARKJY-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+](CCCO)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001373280565 896968646 /nfs/dbraw/zinc/96/86/46/896968646.db2.gz QVURAUNGEINKSH-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP C[N@@H+](CCCO)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001373280565 896968662 /nfs/dbraw/zinc/96/86/62/896968662.db2.gz QVURAUNGEINKSH-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCCO)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001373280565 896968682 /nfs/dbraw/zinc/96/86/82/896968682.db2.gz QVURAUNGEINKSH-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCCO)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001373280565 896968697 /nfs/dbraw/zinc/96/86/97/896968697.db2.gz QVURAUNGEINKSH-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001373394213 896996063 /nfs/dbraw/zinc/99/60/63/896996063.db2.gz VYTSFSXNPFMXLI-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CN(C[C@H](O)COC)C1 ZINC001373471019 897024534 /nfs/dbraw/zinc/02/45/34/897024534.db2.gz MIRXLXLUKTXKOB-LBPRGKRZSA-N 2 1 273.377 -0.864 20 0 CBADMP CCN1CC[C@H]([NH+]2CC(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001373530658 897043206 /nfs/dbraw/zinc/04/32/06/897043206.db2.gz RGRUQKZFAADRGE-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001373536091 897045831 /nfs/dbraw/zinc/04/58/31/897045831.db2.gz DQJFJNYITCFKTA-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001373536091 897045839 /nfs/dbraw/zinc/04/58/39/897045839.db2.gz DQJFJNYITCFKTA-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001373612609 897067841 /nfs/dbraw/zinc/06/78/41/897067841.db2.gz GEAVLVMUMLAGAA-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001373612609 897067858 /nfs/dbraw/zinc/06/78/58/897067858.db2.gz GEAVLVMUMLAGAA-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001373612609 897067875 /nfs/dbraw/zinc/06/78/75/897067875.db2.gz GEAVLVMUMLAGAA-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001373612609 897067890 /nfs/dbraw/zinc/06/78/90/897067890.db2.gz GEAVLVMUMLAGAA-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001373611543 897071134 /nfs/dbraw/zinc/07/11/34/897071134.db2.gz AAULJXBBWQBADX-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001373611543 897071146 /nfs/dbraw/zinc/07/11/46/897071146.db2.gz AAULJXBBWQBADX-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001373611543 897071160 /nfs/dbraw/zinc/07/11/60/897071160.db2.gz AAULJXBBWQBADX-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001373611543 897071175 /nfs/dbraw/zinc/07/11/75/897071175.db2.gz AAULJXBBWQBADX-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001373660049 897089927 /nfs/dbraw/zinc/08/99/27/897089927.db2.gz ILDWNPMVFPKXST-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC(=O)NCC)C1 ZINC001373685475 897095548 /nfs/dbraw/zinc/09/55/48/897095548.db2.gz BMKIXQNPPFJOHP-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC(=O)NCC)C1 ZINC001373685475 897095562 /nfs/dbraw/zinc/09/55/62/897095562.db2.gz BMKIXQNPPFJOHP-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001373685475 897095577 /nfs/dbraw/zinc/09/55/77/897095577.db2.gz BMKIXQNPPFJOHP-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001373685475 897095591 /nfs/dbraw/zinc/09/55/91/897095591.db2.gz BMKIXQNPPFJOHP-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001373685476 897097215 /nfs/dbraw/zinc/09/72/15/897097215.db2.gz BMKIXQNPPFJOHP-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC(=O)NCC)C1 ZINC001373685476 897097188 /nfs/dbraw/zinc/09/71/88/897097188.db2.gz BMKIXQNPPFJOHP-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC(=O)NCC)C1 ZINC001373685476 897097197 /nfs/dbraw/zinc/09/71/97/897097197.db2.gz BMKIXQNPPFJOHP-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001373685476 897097206 /nfs/dbraw/zinc/09/72/06/897097206.db2.gz BMKIXQNPPFJOHP-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001373914464 897138479 /nfs/dbraw/zinc/13/84/79/897138479.db2.gz FTXARVICRSZMDV-JHJVBQTASA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)CC[NH+](C)C ZINC001374278943 897203559 /nfs/dbraw/zinc/20/35/59/897203559.db2.gz WQDRUMCQQXQJPO-NSHDSACASA-N 2 1 282.392 -0.297 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374325814 897211020 /nfs/dbraw/zinc/21/10/20/897211020.db2.gz JNWBBEMRIXFWAR-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374325814 897211038 /nfs/dbraw/zinc/21/10/38/897211038.db2.gz JNWBBEMRIXFWAR-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001374333764 897215937 /nfs/dbraw/zinc/21/59/37/897215937.db2.gz ZMMUBOXDKHMFQK-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001374442701 897230687 /nfs/dbraw/zinc/23/06/87/897230687.db2.gz FILWXWCIUMVFFN-NWDGAFQWSA-N 2 1 284.404 -0.456 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCCNC1=O)[NH+](C)C ZINC001374552604 897254079 /nfs/dbraw/zinc/25/40/79/897254079.db2.gz RGEWXAYUQZWVQX-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCCNC1=O)[NH+](C)C ZINC001374552604 897254093 /nfs/dbraw/zinc/25/40/93/897254093.db2.gz RGEWXAYUQZWVQX-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(N)=O)C1 ZINC001374562379 897261668 /nfs/dbraw/zinc/26/16/68/897261668.db2.gz PENRHZSJQNVBGK-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nocc1C)[NH+](C)C ZINC001374672732 897338401 /nfs/dbraw/zinc/33/84/01/897338401.db2.gz TWICMBHKYBZLKT-YPMHNXCESA-N 2 1 298.387 -0.110 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001374730864 897356771 /nfs/dbraw/zinc/35/67/71/897356771.db2.gz WZXMPONNECOKLC-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)C[N@H+](C)C1CCC1 ZINC001374899471 897427270 /nfs/dbraw/zinc/42/72/70/897427270.db2.gz OKEOXYNTGZDMAO-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001374899471 897427276 /nfs/dbraw/zinc/42/72/76/897427276.db2.gz OKEOXYNTGZDMAO-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001374928802 897434159 /nfs/dbraw/zinc/43/41/59/897434159.db2.gz ZXPSPXRNLLYGGT-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1ncnn1C ZINC001374952108 897437562 /nfs/dbraw/zinc/43/75/62/897437562.db2.gz VRKQIAKMHXHHBO-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1ncnn1C ZINC001374952108 897437569 /nfs/dbraw/zinc/43/75/69/897437569.db2.gz VRKQIAKMHXHHBO-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001374940497 897438087 /nfs/dbraw/zinc/43/80/87/897438087.db2.gz PSAKELIGSRZWLP-RYUDHWBXSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374978252 897446485 /nfs/dbraw/zinc/44/64/85/897446485.db2.gz WZCAHCPFRFRJDH-AAEUAGOBSA-N 2 1 279.388 -0.034 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001375110132 897477643 /nfs/dbraw/zinc/47/76/43/897477643.db2.gz CBERPHZDUATTMI-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001375110132 897477649 /nfs/dbraw/zinc/47/76/49/897477649.db2.gz CBERPHZDUATTMI-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001375136701 897481603 /nfs/dbraw/zinc/48/16/03/897481603.db2.gz NTIWMQXOJWXAHG-MNOVXSKESA-N 2 1 272.393 -0.491 20 0 CBADMP CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001375136701 897481607 /nfs/dbraw/zinc/48/16/07/897481607.db2.gz NTIWMQXOJWXAHG-MNOVXSKESA-N 2 1 272.393 -0.491 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CC1)C(N)=O ZINC001375428240 897543343 /nfs/dbraw/zinc/54/33/43/897543343.db2.gz BTAOPNVKDVLNOW-JTQLQIEISA-N 2 1 282.388 -0.417 20 0 CBADMP CC[C@@H]([NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CC1)C(N)=O ZINC001375430096 897544781 /nfs/dbraw/zinc/54/47/81/897544781.db2.gz WYENPQONPBTJBJ-GFCCVEGCSA-N 2 1 296.415 -0.027 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001375483437 897552463 /nfs/dbraw/zinc/55/24/63/897552463.db2.gz GJBXRQADVMIASH-MQYQWHSLSA-N 2 1 299.415 -0.164 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001375483437 897552474 /nfs/dbraw/zinc/55/24/74/897552474.db2.gz GJBXRQADVMIASH-MQYQWHSLSA-N 2 1 299.415 -0.164 20 0 CBADMP CC[C@@H]([NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001375524104 897558350 /nfs/dbraw/zinc/55/83/50/897558350.db2.gz ZVDYQDKZVXRGFZ-NWDGAFQWSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001375514442 897558774 /nfs/dbraw/zinc/55/87/74/897558774.db2.gz VFHIBFRSNJFGHL-SDDRHHMPSA-N 2 1 282.388 -0.702 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+][C@H]3CCCNC3=O)CC2)C1 ZINC001375546841 897563253 /nfs/dbraw/zinc/56/32/53/897563253.db2.gz ZLSWQZWHCPBKIV-RYUDHWBXSA-N 2 1 294.399 -0.545 20 0 CBADMP COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001375672777 897585925 /nfs/dbraw/zinc/58/59/25/897585925.db2.gz GSAPOHCJQVAIIE-MRVWCRGKSA-N 2 1 299.415 -0.524 20 0 CBADMP COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001375672777 897585939 /nfs/dbraw/zinc/58/59/39/897585939.db2.gz GSAPOHCJQVAIIE-MRVWCRGKSA-N 2 1 299.415 -0.524 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)N(C)C ZINC001375662752 897587596 /nfs/dbraw/zinc/58/75/96/897587596.db2.gz YJNXSRVHNZKSMZ-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)N(C)C ZINC001375662752 897587601 /nfs/dbraw/zinc/58/76/01/897587601.db2.gz YJNXSRVHNZKSMZ-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001375838356 897615623 /nfs/dbraw/zinc/61/56/23/897615623.db2.gz PQKCRXAGUUOPFD-SMDDNHRTSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001375838356 897615627 /nfs/dbraw/zinc/61/56/27/897615627.db2.gz PQKCRXAGUUOPFD-SMDDNHRTSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCOCC1 ZINC001375978487 897621736 /nfs/dbraw/zinc/62/17/36/897621736.db2.gz CJVWSEDGPNNASG-UHFFFAOYSA-N 2 1 299.415 -0.016 20 0 CBADMP O=C(NC[C@@]1(O)CC[N@H+](CCF)C1)C12CC[NH+](CC1)C2 ZINC001376085839 897647276 /nfs/dbraw/zinc/64/72/76/897647276.db2.gz CSIUIKSBKTVAFY-AWEZNQCLSA-N 2 1 285.363 -0.395 20 0 CBADMP O=C(NC[C@@]1(O)CC[N@@H+](CCF)C1)C12CC[NH+](CC1)C2 ZINC001376085839 897647286 /nfs/dbraw/zinc/64/72/86/897647286.db2.gz CSIUIKSBKTVAFY-AWEZNQCLSA-N 2 1 285.363 -0.395 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001376098864 897651348 /nfs/dbraw/zinc/65/13/48/897651348.db2.gz YCQRCMCDBSIDRY-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP CCC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001376098864 897651358 /nfs/dbraw/zinc/65/13/58/897651358.db2.gz YCQRCMCDBSIDRY-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP CCC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001376098864 897651369 /nfs/dbraw/zinc/65/13/69/897651369.db2.gz YCQRCMCDBSIDRY-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001376103340 897651531 /nfs/dbraw/zinc/65/15/31/897651531.db2.gz ZIUBRRINYDSXQQ-AWEZNQCLSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001376103340 897651543 /nfs/dbraw/zinc/65/15/43/897651543.db2.gz ZIUBRRINYDSXQQ-AWEZNQCLSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001376103340 897651554 /nfs/dbraw/zinc/65/15/54/897651554.db2.gz ZIUBRRINYDSXQQ-AWEZNQCLSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001376097494 897652754 /nfs/dbraw/zinc/65/27/54/897652754.db2.gz URNHMVGCVAYPJX-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001376097494 897652766 /nfs/dbraw/zinc/65/27/66/897652766.db2.gz URNHMVGCVAYPJX-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376097494 897652777 /nfs/dbraw/zinc/65/27/77/897652777.db2.gz URNHMVGCVAYPJX-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001376098871 897653760 /nfs/dbraw/zinc/65/37/60/897653760.db2.gz YCQRCMCDBSIDRY-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP CCC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001376098871 897653764 /nfs/dbraw/zinc/65/37/64/897653764.db2.gz YCQRCMCDBSIDRY-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP CCC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001376098871 897653769 /nfs/dbraw/zinc/65/37/69/897653769.db2.gz YCQRCMCDBSIDRY-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCn2ccnc2)C1 ZINC001376150958 897677775 /nfs/dbraw/zinc/67/77/75/897677775.db2.gz VSXQJNSUNYFCPV-OLZOCXBDSA-N 2 1 296.371 -0.529 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001376204762 897686304 /nfs/dbraw/zinc/68/63/04/897686304.db2.gz ZBTCUYZAIUOSIC-RYUDHWBXSA-N 2 1 282.388 -0.689 20 0 CBADMP CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001376238737 897695043 /nfs/dbraw/zinc/69/50/43/897695043.db2.gz HBVHJCMHCXSYLG-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP Cn1cc(C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C2CC2)nn1 ZINC001376246146 897699028 /nfs/dbraw/zinc/69/90/28/897699028.db2.gz WIFATRFSUZGIGJ-ZDUSSCGKSA-N 2 1 294.403 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001376303139 897705976 /nfs/dbraw/zinc/70/59/76/897705976.db2.gz KUPODVDXRHLOTJ-SRVKXCTJSA-N 2 1 282.388 -0.608 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001376341303 897714826 /nfs/dbraw/zinc/71/48/26/897714826.db2.gz BDIUCJOOFCXYQD-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001376391910 897722953 /nfs/dbraw/zinc/72/29/53/897722953.db2.gz JYUGIRRBHKHHEP-NSHDSACASA-N 2 1 280.376 -0.543 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001376418732 897729977 /nfs/dbraw/zinc/72/99/77/897729977.db2.gz RDQJEBWOSXLUIB-UPJWGTAASA-N 2 1 296.415 -0.408 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001376418732 897729985 /nfs/dbraw/zinc/72/99/85/897729985.db2.gz RDQJEBWOSXLUIB-UPJWGTAASA-N 2 1 296.415 -0.408 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001376418732 897729996 /nfs/dbraw/zinc/72/99/96/897729996.db2.gz RDQJEBWOSXLUIB-UPJWGTAASA-N 2 1 296.415 -0.408 20 0 CBADMP COCC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001376477059 897753079 /nfs/dbraw/zinc/75/30/79/897753079.db2.gz DUKMRUBBGUOXHO-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001376487766 897756846 /nfs/dbraw/zinc/75/68/46/897756846.db2.gz CSUVULRIBLXLDR-MXWKQRLJSA-N 2 1 270.377 -0.561 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001376559302 897777142 /nfs/dbraw/zinc/77/71/42/897777142.db2.gz MYOGQQLJOZBUHV-GFCCVEGCSA-N 2 1 293.371 -0.495 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376609652 897783808 /nfs/dbraw/zinc/78/38/08/897783808.db2.gz LRUNNKWCQXGZLI-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C1CC1 ZINC001376696006 897810853 /nfs/dbraw/zinc/81/08/53/897810853.db2.gz CBMFZIUQAXOOGN-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)CC[N@H+]1C ZINC001376735039 897828344 /nfs/dbraw/zinc/82/83/44/897828344.db2.gz WUTJQVBRCFWVET-GARJFASQSA-N 2 1 270.377 -0.704 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1nncn1C)[NH+](C)C ZINC001376754173 897836869 /nfs/dbraw/zinc/83/68/69/897836869.db2.gz AVVGTYMRAPOIGH-GHMZBOCLSA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001376801029 897849925 /nfs/dbraw/zinc/84/99/25/897849925.db2.gz MHJPDMHLQDTLSC-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001376871692 897874896 /nfs/dbraw/zinc/87/48/96/897874896.db2.gz BAQLQBVMMCUHEJ-MNOVXSKESA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001376871692 897874913 /nfs/dbraw/zinc/87/49/13/897874913.db2.gz BAQLQBVMMCUHEJ-MNOVXSKESA-N 2 1 280.376 -0.639 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001376871911 897876770 /nfs/dbraw/zinc/87/67/70/897876770.db2.gz ZSKCHWYSKRQDLN-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376882180 897879467 /nfs/dbraw/zinc/87/94/67/897879467.db2.gz NOCJYDKIOHDYDD-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001376943051 897898511 /nfs/dbraw/zinc/89/85/11/897898511.db2.gz VOXDJSCCRAIBQD-RWMBFGLXSA-N 2 1 296.415 -0.360 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001376953744 897901533 /nfs/dbraw/zinc/90/15/33/897901533.db2.gz OOBZMZZWZFWNPH-LBPRGKRZSA-N 2 1 295.387 -0.154 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@H+](C)[C@@H](C)C(N)=O ZINC001376953744 897901542 /nfs/dbraw/zinc/90/15/42/897901542.db2.gz OOBZMZZWZFWNPH-LBPRGKRZSA-N 2 1 295.387 -0.154 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CCC[NH+](C)[C@H]1CCNC1=O ZINC001377005053 897909206 /nfs/dbraw/zinc/90/92/06/897909206.db2.gz QJIZRQPLESSGQV-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CCC[N@H+](C)[C@H]1CCNC1=O ZINC001377005053 897909212 /nfs/dbraw/zinc/90/92/12/897909212.db2.gz QJIZRQPLESSGQV-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CCC[N@@H+](C)[C@H]1CCNC1=O ZINC001377005053 897909216 /nfs/dbraw/zinc/90/92/16/897909216.db2.gz QJIZRQPLESSGQV-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001377020667 897914729 /nfs/dbraw/zinc/91/47/29/897914729.db2.gz REBBTEJXBAJDIV-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377020667 897914738 /nfs/dbraw/zinc/91/47/38/897914738.db2.gz REBBTEJXBAJDIV-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377020667 897914748 /nfs/dbraw/zinc/91/47/48/897914748.db2.gz REBBTEJXBAJDIV-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001377171778 897962350 /nfs/dbraw/zinc/96/23/50/897962350.db2.gz CDZWQTWTKWKVKN-NEPJUHHUSA-N 2 1 286.420 -0.116 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001377171778 897962361 /nfs/dbraw/zinc/96/23/61/897962361.db2.gz CDZWQTWTKWKVKN-NEPJUHHUSA-N 2 1 286.420 -0.116 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001377258953 897991353 /nfs/dbraw/zinc/99/13/53/897991353.db2.gz MFVUHFZIIFVUBW-ZDUSSCGKSA-N 2 1 287.404 -0.617 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCCNC1=O ZINC001377291439 897999588 /nfs/dbraw/zinc/99/95/88/897999588.db2.gz ICYKWZQESOUKTN-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCCNC1=O ZINC001377291439 897999597 /nfs/dbraw/zinc/99/95/97/897999597.db2.gz ICYKWZQESOUKTN-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCCNC1=O ZINC001377291439 897999603 /nfs/dbraw/zinc/99/96/03/897999603.db2.gz ICYKWZQESOUKTN-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCNC1=O ZINC001377362365 898020344 /nfs/dbraw/zinc/02/03/44/898020344.db2.gz SGTPJHGQAXRPAQ-GFCCVEGCSA-N 2 1 294.399 -0.591 20 0 CBADMP CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@H](O)COC ZINC001377359964 898021614 /nfs/dbraw/zinc/02/16/14/898021614.db2.gz JIPPUVCDGYWUNY-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001377395816 898034389 /nfs/dbraw/zinc/03/43/89/898034389.db2.gz DSRSVFHLPHSIOL-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001377395816 898034404 /nfs/dbraw/zinc/03/44/04/898034404.db2.gz DSRSVFHLPHSIOL-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001377395816 898034408 /nfs/dbraw/zinc/03/44/08/898034408.db2.gz DSRSVFHLPHSIOL-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001377395816 898034422 /nfs/dbraw/zinc/03/44/22/898034422.db2.gz DSRSVFHLPHSIOL-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001377458775 898053747 /nfs/dbraw/zinc/05/37/47/898053747.db2.gz ZTKYMJNHOSVTFU-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001377471344 898059345 /nfs/dbraw/zinc/05/93/45/898059345.db2.gz KJHBJKNFEBPPNE-ZYHUDNBSSA-N 2 1 293.371 -0.497 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001377471344 898059356 /nfs/dbraw/zinc/05/93/56/898059356.db2.gz KJHBJKNFEBPPNE-ZYHUDNBSSA-N 2 1 293.371 -0.497 20 0 CBADMP NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001377481143 898063383 /nfs/dbraw/zinc/06/33/83/898063383.db2.gz UJKYWGCAWQSIGT-ZDUSSCGKSA-N 2 1 296.415 -0.214 20 0 CBADMP C[C@H](C(N)=O)[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001377559714 898084544 /nfs/dbraw/zinc/08/45/44/898084544.db2.gz WAXPRZBCBXXCCV-LLVKDONJSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001377559714 898084555 /nfs/dbraw/zinc/08/45/55/898084555.db2.gz WAXPRZBCBXXCCV-LLVKDONJSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001377557043 898085268 /nfs/dbraw/zinc/08/52/68/898085268.db2.gz HNECPGKOFFDONM-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001377557043 898085281 /nfs/dbraw/zinc/08/52/81/898085281.db2.gz HNECPGKOFFDONM-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001377557043 898085293 /nfs/dbraw/zinc/08/52/93/898085293.db2.gz HNECPGKOFFDONM-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001377557043 898085309 /nfs/dbraw/zinc/08/53/09/898085309.db2.gz HNECPGKOFFDONM-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001377580437 898094512 /nfs/dbraw/zinc/09/45/12/898094512.db2.gz LFPDCQLANGYLOO-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+][C@H]2CCNC2=O)C1 ZINC001377589113 898097336 /nfs/dbraw/zinc/09/73/36/898097336.db2.gz HOLKWQXSMCLVJQ-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001377645051 898109949 /nfs/dbraw/zinc/10/99/49/898109949.db2.gz ZHPXMNBXCPBOQG-JSGCOSHPSA-N 2 1 298.431 -0.019 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001377681148 898113266 /nfs/dbraw/zinc/11/32/66/898113266.db2.gz VRNUJBVUDBSQDA-LBPRGKRZSA-N 2 1 282.388 -0.510 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001377681148 898113276 /nfs/dbraw/zinc/11/32/76/898113276.db2.gz VRNUJBVUDBSQDA-LBPRGKRZSA-N 2 1 282.388 -0.510 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001377825946 898143075 /nfs/dbraw/zinc/14/30/75/898143075.db2.gz XEEGMYDANNYLFW-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001377825946 898143081 /nfs/dbraw/zinc/14/30/81/898143081.db2.gz XEEGMYDANNYLFW-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001377992536 898187723 /nfs/dbraw/zinc/18/77/23/898187723.db2.gz KOIJVFXUGRFNMM-WCQYABFASA-N 2 1 298.431 -0.245 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001378014056 898198012 /nfs/dbraw/zinc/19/80/12/898198012.db2.gz DAPCAWXHCFTIIO-JSGCOSHPSA-N 2 1 299.415 -0.617 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001378129881 898245651 /nfs/dbraw/zinc/24/56/51/898245651.db2.gz LGRQSJGTAYTYJF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001378129881 898245668 /nfs/dbraw/zinc/24/56/68/898245668.db2.gz LGRQSJGTAYTYJF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001378129881 898245685 /nfs/dbraw/zinc/24/56/85/898245685.db2.gz LGRQSJGTAYTYJF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001378129881 898245705 /nfs/dbraw/zinc/24/57/05/898245705.db2.gz LGRQSJGTAYTYJF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001378207516 898278239 /nfs/dbraw/zinc/27/82/39/898278239.db2.gz WYFMCLCIBMUDGZ-NEPJUHHUSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001378207516 898278255 /nfs/dbraw/zinc/27/82/55/898278255.db2.gz WYFMCLCIBMUDGZ-NEPJUHHUSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001378207516 898278273 /nfs/dbraw/zinc/27/82/73/898278273.db2.gz WYFMCLCIBMUDGZ-NEPJUHHUSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001378207516 898278287 /nfs/dbraw/zinc/27/82/87/898278287.db2.gz WYFMCLCIBMUDGZ-NEPJUHHUSA-N 2 1 284.404 -0.267 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001378221769 898284787 /nfs/dbraw/zinc/28/47/87/898284787.db2.gz RGXCPATWOFMZNL-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001378221769 898284806 /nfs/dbraw/zinc/28/48/06/898284806.db2.gz RGXCPATWOFMZNL-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)C ZINC001378261223 898294066 /nfs/dbraw/zinc/29/40/66/898294066.db2.gz XJIKRZFIUCSPEY-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP C[N@@H+](CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001378395880 898329337 /nfs/dbraw/zinc/32/93/37/898329337.db2.gz LEXBAKVXAOXWIO-HNNXBMFYSA-N 2 1 296.415 -0.170 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(N)=O ZINC001378512346 898342134 /nfs/dbraw/zinc/34/21/34/898342134.db2.gz MNZFEJQVSFNLTF-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CC(=O)N1CCC1 ZINC001378556588 898351515 /nfs/dbraw/zinc/35/15/15/898351515.db2.gz OGXLEXKBDDSWNF-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC(=O)N2CCC2)C1 ZINC001378565132 898355040 /nfs/dbraw/zinc/35/50/40/898355040.db2.gz VTUPQVVATYWIGB-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC001378625737 898372920 /nfs/dbraw/zinc/37/29/20/898372920.db2.gz OHXBKDOXBKGQTI-CQSZACIVSA-N 2 1 285.388 -0.766 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC001378625737 898372932 /nfs/dbraw/zinc/37/29/32/898372932.db2.gz OHXBKDOXBKGQTI-CQSZACIVSA-N 2 1 285.388 -0.766 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001379091489 898462385 /nfs/dbraw/zinc/46/23/85/898462385.db2.gz WCYCZIFKSOOLJT-LBPRGKRZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001379091489 898462393 /nfs/dbraw/zinc/46/23/93/898462393.db2.gz WCYCZIFKSOOLJT-LBPRGKRZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001379115160 898468966 /nfs/dbraw/zinc/46/89/66/898468966.db2.gz CGNRWLJESWLTNC-CHWSQXEVSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001379115160 898468971 /nfs/dbraw/zinc/46/89/71/898468971.db2.gz CGNRWLJESWLTNC-CHWSQXEVSA-N 2 1 298.431 -0.149 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnns1 ZINC001379188127 898497956 /nfs/dbraw/zinc/49/79/56/898497956.db2.gz LTAZRMPABZGEAU-GXSJLCMTSA-N 2 1 299.400 -0.801 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(=O)NC ZINC001379285704 898536975 /nfs/dbraw/zinc/53/69/75/898536975.db2.gz QCDYDTMXEQYAID-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[N@@H+](C)C(C)C ZINC001379326967 898549803 /nfs/dbraw/zinc/54/98/03/898549803.db2.gz KGWJOHWCPZLVFG-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001379359887 898576709 /nfs/dbraw/zinc/57/67/09/898576709.db2.gz SCDRTFAFRBBZTM-MNOVXSKESA-N 2 1 295.387 -0.024 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cccn1 ZINC001379375611 898587422 /nfs/dbraw/zinc/58/74/22/898587422.db2.gz VPJRAFKHAOTVGX-OLZOCXBDSA-N 2 1 295.387 -0.956 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001379381377 898593945 /nfs/dbraw/zinc/59/39/45/898593945.db2.gz KLHBQOIPMYOHCE-NXEZZACHSA-N 2 1 284.360 -0.175 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001379391435 898597419 /nfs/dbraw/zinc/59/74/19/898597419.db2.gz YQQAFANSROBDPV-KOLCDFICSA-N 2 1 281.360 -0.580 20 0 CBADMP CC[NH2+][C@H](CO)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001379431093 898610385 /nfs/dbraw/zinc/61/03/85/898610385.db2.gz HIYBIUNCYPPVGA-VIFPVBQESA-N 2 1 270.333 -0.564 20 0 CBADMP CC[NH2+][C@@H](CO)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001379431083 898610861 /nfs/dbraw/zinc/61/08/61/898610861.db2.gz HIYBIUNCYPPVGA-SECBINFHSA-N 2 1 270.333 -0.564 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379448477 898617160 /nfs/dbraw/zinc/61/71/60/898617160.db2.gz JDBIOKJVGFOLOC-AGIUHOORSA-N 2 1 287.404 -0.570 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccns1 ZINC001379458423 898620965 /nfs/dbraw/zinc/62/09/65/898620965.db2.gz BDFQASMUXJJSBA-CMPLNLGQSA-N 2 1 298.412 -0.196 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccns1 ZINC001379458423 898620972 /nfs/dbraw/zinc/62/09/72/898620972.db2.gz BDFQASMUXJJSBA-CMPLNLGQSA-N 2 1 298.412 -0.196 20 0 CBADMP C[C@@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CC[NH+](C)C ZINC001379556528 898664398 /nfs/dbraw/zinc/66/43/98/898664398.db2.gz RNIKJLAUCRBAHR-NEPJUHHUSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379582945 898673739 /nfs/dbraw/zinc/67/37/39/898673739.db2.gz RDOZKUVWJKGJKG-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379600806 898683566 /nfs/dbraw/zinc/68/35/66/898683566.db2.gz QBRLNEREWCMRSR-TUAOUCFPSA-N 2 1 273.377 -0.960 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001379640991 898691839 /nfs/dbraw/zinc/69/18/39/898691839.db2.gz XGXLBYJADHWBJW-BXUZGUMPSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001379640991 898691853 /nfs/dbraw/zinc/69/18/53/898691853.db2.gz XGXLBYJADHWBJW-BXUZGUMPSA-N 2 1 282.388 -0.463 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001379874703 898749875 /nfs/dbraw/zinc/74/98/75/898749875.db2.gz CAUWWENSJPVXFU-NSHDSACASA-N 2 1 279.344 -0.839 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001379938099 898765523 /nfs/dbraw/zinc/76/55/23/898765523.db2.gz NTDHCQDVKZEFRH-LLVKDONJSA-N 2 1 279.344 -0.839 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@H+](C)C[C@H](C)O ZINC001379965500 898775511 /nfs/dbraw/zinc/77/55/11/898775511.db2.gz BYHUQIRGSQIRAG-QWHCGFSZSA-N 2 1 289.420 -0.542 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)C[C@H](C)O ZINC001379965500 898775519 /nfs/dbraw/zinc/77/55/19/898775519.db2.gz BYHUQIRGSQIRAG-QWHCGFSZSA-N 2 1 289.420 -0.542 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)C[C@H](C)O ZINC001379965500 898775527 /nfs/dbraw/zinc/77/55/27/898775527.db2.gz BYHUQIRGSQIRAG-QWHCGFSZSA-N 2 1 289.420 -0.542 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C[C@H](O)COC)[NH+](C)C ZINC001379984079 898781205 /nfs/dbraw/zinc/78/12/05/898781205.db2.gz UQBVQNLQAMWNKU-RWMBFGLXSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1C[C@H](O)COC)[NH+](C)C ZINC001379984079 898781215 /nfs/dbraw/zinc/78/12/15/898781215.db2.gz UQBVQNLQAMWNKU-RWMBFGLXSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(N)=O ZINC001380081804 898801793 /nfs/dbraw/zinc/80/17/93/898801793.db2.gz UPFAXZYLJYBQES-UTUOFQBUSA-N 2 1 296.415 -0.171 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001380129997 898815895 /nfs/dbraw/zinc/81/58/95/898815895.db2.gz DUOFKAYCZFBGOR-WDEREUQCSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](C[C@H](O)COC)C1 ZINC001380250786 898841408 /nfs/dbraw/zinc/84/14/08/898841408.db2.gz IFUJMMBJWRVYQW-ZDUSSCGKSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C1C[NH+](C[C@H](O)COC)C1 ZINC001380250786 898841421 /nfs/dbraw/zinc/84/14/21/898841421.db2.gz IFUJMMBJWRVYQW-ZDUSSCGKSA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380350100 898863542 /nfs/dbraw/zinc/86/35/42/898863542.db2.gz CREYYEZIRGNODQ-WFASDCNBSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001380375759 898868892 /nfs/dbraw/zinc/86/88/92/898868892.db2.gz GIVWKEBBLLVKDU-BXUZGUMPSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001380375759 898868904 /nfs/dbraw/zinc/86/89/04/898868904.db2.gz GIVWKEBBLLVKDU-BXUZGUMPSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001380375759 898868918 /nfs/dbraw/zinc/86/89/18/898868918.db2.gz GIVWKEBBLLVKDU-BXUZGUMPSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001380375759 898868931 /nfs/dbraw/zinc/86/89/31/898868931.db2.gz GIVWKEBBLLVKDU-BXUZGUMPSA-N 2 1 284.404 -0.217 20 0 CBADMP O=C(NC[C@]1(O)CC[N@H+](CCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001380531459 898887849 /nfs/dbraw/zinc/88/78/49/898887849.db2.gz GFZYNEHGPSLTOU-DZGCQCFKSA-N 2 1 299.390 -0.149 20 0 CBADMP O=C(NC[C@]1(O)CC[N@@H+](CCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001380531459 898887861 /nfs/dbraw/zinc/88/78/61/898887861.db2.gz GFZYNEHGPSLTOU-DZGCQCFKSA-N 2 1 299.390 -0.149 20 0 CBADMP CC(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001380526358 898888797 /nfs/dbraw/zinc/88/87/97/898888797.db2.gz KKKWAHDUZYXEIL-HIFRSBDPSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001380526358 898888804 /nfs/dbraw/zinc/88/88/04/898888804.db2.gz KKKWAHDUZYXEIL-HIFRSBDPSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001380526358 898888811 /nfs/dbraw/zinc/88/88/11/898888811.db2.gz KKKWAHDUZYXEIL-HIFRSBDPSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001380526358 898888818 /nfs/dbraw/zinc/88/88/18/898888818.db2.gz KKKWAHDUZYXEIL-HIFRSBDPSA-N 2 1 299.415 -0.474 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001380572408 898901838 /nfs/dbraw/zinc/90/18/38/898901838.db2.gz MIBOCWOVFWARQT-GXTWGEPZSA-N 2 1 285.388 -0.863 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001380572408 898901844 /nfs/dbraw/zinc/90/18/44/898901844.db2.gz MIBOCWOVFWARQT-GXTWGEPZSA-N 2 1 285.388 -0.863 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380572408 898901856 /nfs/dbraw/zinc/90/18/56/898901856.db2.gz MIBOCWOVFWARQT-GXTWGEPZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001380562286 898902280 /nfs/dbraw/zinc/90/22/80/898902280.db2.gz BTYVIQIIELEIER-WFASDCNBSA-N 2 1 297.399 -0.984 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001380572409 898903826 /nfs/dbraw/zinc/90/38/26/898903826.db2.gz MIBOCWOVFWARQT-JSGCOSHPSA-N 2 1 285.388 -0.863 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001380572409 898903829 /nfs/dbraw/zinc/90/38/29/898903829.db2.gz MIBOCWOVFWARQT-JSGCOSHPSA-N 2 1 285.388 -0.863 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380572409 898903835 /nfs/dbraw/zinc/90/38/35/898903835.db2.gz MIBOCWOVFWARQT-JSGCOSHPSA-N 2 1 285.388 -0.863 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001380689476 898934208 /nfs/dbraw/zinc/93/42/08/898934208.db2.gz PSYWWPWNBJWWBQ-NEPJUHHUSA-N 2 1 284.404 -0.504 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001380784433 898948735 /nfs/dbraw/zinc/94/87/35/898948735.db2.gz ADZUJXXZIVKKTD-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001380928369 898973347 /nfs/dbraw/zinc/97/33/47/898973347.db2.gz DCMUUGMDALVWAM-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001380950642 898977186 /nfs/dbraw/zinc/97/71/86/898977186.db2.gz WKCXNRSMVUACEC-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001380950642 898977196 /nfs/dbraw/zinc/97/71/96/898977196.db2.gz WKCXNRSMVUACEC-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001380950642 898977201 /nfs/dbraw/zinc/97/72/01/898977201.db2.gz WKCXNRSMVUACEC-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCF)C1 ZINC001381042343 898989939 /nfs/dbraw/zinc/98/99/39/898989939.db2.gz GZGIIITWYDUWPW-TZMCWYRMSA-N 2 1 287.379 -0.007 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001381202187 899011853 /nfs/dbraw/zinc/01/18/53/899011853.db2.gz TVSPTSWBKHSZJY-ONGXEEELSA-N 2 1 281.360 -0.450 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001381277476 899023141 /nfs/dbraw/zinc/02/31/41/899023141.db2.gz CSSICOTXQZSMNH-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001381304484 899024690 /nfs/dbraw/zinc/02/46/90/899024690.db2.gz WTOWAGKJDDJKAL-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)[C@@H]1CCNC1=O ZINC001381535953 899079593 /nfs/dbraw/zinc/07/95/93/899079593.db2.gz NOAGRJATTDETRF-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)[C@@H]1CCNC1=O ZINC001381535953 899079606 /nfs/dbraw/zinc/07/96/06/899079606.db2.gz NOAGRJATTDETRF-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001381535953 899079619 /nfs/dbraw/zinc/07/96/19/899079619.db2.gz NOAGRJATTDETRF-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001381617822 899095991 /nfs/dbraw/zinc/09/59/91/899095991.db2.gz GYJVHNHHSMZTRX-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001381617822 899096008 /nfs/dbraw/zinc/09/60/08/899096008.db2.gz GYJVHNHHSMZTRX-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001381617822 899096023 /nfs/dbraw/zinc/09/60/23/899096023.db2.gz GYJVHNHHSMZTRX-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001381617822 899096038 /nfs/dbraw/zinc/09/60/38/899096038.db2.gz GYJVHNHHSMZTRX-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001381801711 899114743 /nfs/dbraw/zinc/11/47/43/899114743.db2.gz HJAOXBAVFYFHNL-WCQYABFASA-N 2 1 296.415 -0.395 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC001381812669 899115715 /nfs/dbraw/zinc/11/57/15/899115715.db2.gz NCSANQDJYNLGCO-NEPJUHHUSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC001381812669 899115720 /nfs/dbraw/zinc/11/57/20/899115720.db2.gz NCSANQDJYNLGCO-NEPJUHHUSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001381868127 899122549 /nfs/dbraw/zinc/12/25/49/899122549.db2.gz DXMJGPNSLRVVAF-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001381868127 899122556 /nfs/dbraw/zinc/12/25/56/899122556.db2.gz DXMJGPNSLRVVAF-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP 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 899128709 /nfs/dbraw/zinc/12/87/09/899128709.db2.gz GAWPVGMYNGAOPC-ZDEQEGDKSA-N 2 1 294.399 -0.893 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001381903507 899128716 /nfs/dbraw/zinc/12/87/16/899128716.db2.gz GAWPVGMYNGAOPC-ZDEQEGDKSA-N 2 1 294.399 -0.893 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001381903507 899128725 /nfs/dbraw/zinc/12/87/25/899128725.db2.gz GAWPVGMYNGAOPC-ZDEQEGDKSA-N 2 1 294.399 -0.893 20 0 CBADMP C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001381916362 899131367 /nfs/dbraw/zinc/13/13/67/899131367.db2.gz GNJUSAMBMHWRBA-JSGCOSHPSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCO)C1 ZINC001381950657 899133660 /nfs/dbraw/zinc/13/36/60/899133660.db2.gz UUHPEAZVILUCBB-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC)C1 ZINC001381975986 899140743 /nfs/dbraw/zinc/14/07/43/899140743.db2.gz QSSYBZOROAHIBM-HAQNSBGRSA-N 2 1 284.404 -0.441 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCC2CC2)C1 ZINC001382196756 899190131 /nfs/dbraw/zinc/19/01/31/899190131.db2.gz UDXQZQJXVOJQNM-CHWSQXEVSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCC2CC2)C1 ZINC001382196756 899190135 /nfs/dbraw/zinc/19/01/35/899190135.db2.gz UDXQZQJXVOJQNM-CHWSQXEVSA-N 2 1 285.388 -0.816 20 0 CBADMP Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001382239259 899205329 /nfs/dbraw/zinc/20/53/29/899205329.db2.gz UJMKYNWAVSRQGK-GFCCVEGCSA-N 2 1 284.360 -0.499 20 0 CBADMP Cc1ncc(CN[C@@H](CO)CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001382282855 899234821 /nfs/dbraw/zinc/23/48/21/899234821.db2.gz KYRGQHJOLAWCAP-GFCCVEGCSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001382282855 899234846 /nfs/dbraw/zinc/23/48/46/899234846.db2.gz KYRGQHJOLAWCAP-GFCCVEGCSA-N 2 1 298.387 -0.110 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CC[NH+](C)C ZINC001386194468 899632930 /nfs/dbraw/zinc/63/29/30/899632930.db2.gz GJRXBEKHCKYNBR-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001387713699 899818881 /nfs/dbraw/zinc/81/88/81/899818881.db2.gz YFFLBJXPUCXKGA-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001387713699 899818891 /nfs/dbraw/zinc/81/88/91/899818891.db2.gz YFFLBJXPUCXKGA-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001387713699 899818899 /nfs/dbraw/zinc/81/88/99/899818899.db2.gz YFFLBJXPUCXKGA-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001387818886 899834325 /nfs/dbraw/zinc/83/43/25/899834325.db2.gz LXKXRSQYWMYYFM-LLVKDONJSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001388058004 899862995 /nfs/dbraw/zinc/86/29/95/899862995.db2.gz NLWLFZCHYABLMR-LBPRGKRZSA-N 2 1 284.404 -0.536 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001388740479 899906761 /nfs/dbraw/zinc/90/67/61/899906761.db2.gz MATFBGWYRMOCCN-AAVRWANBSA-N 2 1 299.415 -0.570 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001389198958 899968262 /nfs/dbraw/zinc/96/82/62/899968262.db2.gz ZXYLXGPDIZJFSL-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001389693856 900057589 /nfs/dbraw/zinc/05/75/89/900057589.db2.gz QWLNADARUQPQKV-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001389813161 900076792 /nfs/dbraw/zinc/07/67/92/900076792.db2.gz AKVYMWICLFDMPP-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001389854430 900084435 /nfs/dbraw/zinc/08/44/35/900084435.db2.gz AWBFQXGHHOLFDZ-FDYHWXHSSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001389854440 900086635 /nfs/dbraw/zinc/08/66/35/900086635.db2.gz AWBFQXGHHOLFDZ-ZDEQEGDKSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001389997939 900102933 /nfs/dbraw/zinc/10/29/33/900102933.db2.gz ISGHPUONYKMUOD-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001390189256 900122556 /nfs/dbraw/zinc/12/25/56/900122556.db2.gz JAOKXNLFYQNYQM-PDWCTOEPSA-N 2 1 297.399 -0.866 20 0 CBADMP COC[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001390189256 900122568 /nfs/dbraw/zinc/12/25/68/900122568.db2.gz JAOKXNLFYQNYQM-PDWCTOEPSA-N 2 1 297.399 -0.866 20 0 CBADMP COC[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001390189256 900122577 /nfs/dbraw/zinc/12/25/77/900122577.db2.gz JAOKXNLFYQNYQM-PDWCTOEPSA-N 2 1 297.399 -0.866 20 0 CBADMP 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 900126984 /nfs/dbraw/zinc/12/69/84/900126984.db2.gz BFSQAHIBLCGEFG-ODXJTPSBSA-N 2 1 283.416 0.000 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cncn1C ZINC001390319059 900138953 /nfs/dbraw/zinc/13/89/53/900138953.db2.gz IECHODCWAPPRRM-DGCLKSJQSA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cncn1C ZINC001390319059 900138958 /nfs/dbraw/zinc/13/89/58/900138958.db2.gz IECHODCWAPPRRM-DGCLKSJQSA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cn(C)nn1 ZINC001390384255 900150153 /nfs/dbraw/zinc/15/01/53/900150153.db2.gz ZJXIWEFZANLLHH-DMDPSCGWSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cn(C)nn1 ZINC001390384255 900150160 /nfs/dbraw/zinc/15/01/60/900150160.db2.gz ZJXIWEFZANLLHH-DMDPSCGWSA-N 2 1 294.403 -0.250 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001390449261 900161854 /nfs/dbraw/zinc/16/18/54/900161854.db2.gz AASVOEXJCZVQPR-XQQFMLRXSA-N 2 1 287.404 -0.428 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001390442881 900162654 /nfs/dbraw/zinc/16/26/54/900162654.db2.gz YUWHGCLXIIOMTK-JQWIXIFHSA-N 2 1 295.387 -0.237 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001390458343 900163989 /nfs/dbraw/zinc/16/39/89/900163989.db2.gz NJCXEPDOCGYDBS-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001390459643 900166298 /nfs/dbraw/zinc/16/62/98/900166298.db2.gz MKIKSEDQDOSVOW-GRYCIOLGSA-N 2 1 273.377 -0.818 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H](C)[NH2+]CCO)C2 ZINC001390482884 900173649 /nfs/dbraw/zinc/17/36/49/900173649.db2.gz OIWUEDPYIXHUPP-CMPLNLGQSA-N 2 1 280.372 -0.159 20 0 CBADMP CCn1ncc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001390516885 900178686 /nfs/dbraw/zinc/17/86/86/900178686.db2.gz DZIASMGQZZITAW-VXGBXAGGSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001390516885 900178694 /nfs/dbraw/zinc/17/86/94/900178694.db2.gz DZIASMGQZZITAW-VXGBXAGGSA-N 2 1 294.403 -0.156 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001390535301 900183326 /nfs/dbraw/zinc/18/33/26/900183326.db2.gz DGKKPPNMPQYYPX-VXGBXAGGSA-N 2 1 286.420 -0.102 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001390570288 900189047 /nfs/dbraw/zinc/18/90/47/900189047.db2.gz QIQKASPARLKIGR-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001390570288 900189065 /nfs/dbraw/zinc/18/90/65/900189065.db2.gz QIQKASPARLKIGR-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001390649658 900202405 /nfs/dbraw/zinc/20/24/05/900202405.db2.gz WHBZTOQWECVKJB-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001390696604 900212858 /nfs/dbraw/zinc/21/28/58/900212858.db2.gz VVXWKWFCHXNYQG-SRVKXCTJSA-N 2 1 284.404 -0.314 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCN1[C@H](C)C(N)=O ZINC001391067160 900299678 /nfs/dbraw/zinc/29/96/78/900299678.db2.gz IPHDOKSIXIMAKN-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@H](C)C(N)=O ZINC001391067160 900299693 /nfs/dbraw/zinc/29/96/93/900299693.db2.gz IPHDOKSIXIMAKN-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@H](C)C(N)=O ZINC001391067160 900299706 /nfs/dbraw/zinc/29/97/06/900299706.db2.gz IPHDOKSIXIMAKN-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001391067160 900299719 /nfs/dbraw/zinc/29/97/19/900299719.db2.gz IPHDOKSIXIMAKN-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccnc1 ZINC001391085538 900304532 /nfs/dbraw/zinc/30/45/32/900304532.db2.gz ZGEPXOOCWWJMSZ-OLZOCXBDSA-N 2 1 296.371 -0.529 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001391098032 900307116 /nfs/dbraw/zinc/30/71/16/900307116.db2.gz PPJNPAXBIMFKNU-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001391098032 900307127 /nfs/dbraw/zinc/30/71/27/900307127.db2.gz PPJNPAXBIMFKNU-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001391098032 900307136 /nfs/dbraw/zinc/30/71/36/900307136.db2.gz PPJNPAXBIMFKNU-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391091092 900310146 /nfs/dbraw/zinc/31/01/46/900310146.db2.gz BSVOZQJBYYPTBM-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001391112592 900312610 /nfs/dbraw/zinc/31/26/10/900312610.db2.gz CLEXKKNAZYZJQH-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001391112592 900312619 /nfs/dbraw/zinc/31/26/19/900312619.db2.gz CLEXKKNAZYZJQH-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001391112592 900312633 /nfs/dbraw/zinc/31/26/33/900312633.db2.gz CLEXKKNAZYZJQH-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001391108490 900314159 /nfs/dbraw/zinc/31/41/59/900314159.db2.gz HCEPYMZFZFVRAH-AAEUAGOBSA-N 2 1 284.404 -0.504 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+]([C@@H](C)C(N)=O)C1CC1)[NH+](C)C ZINC001391201848 900334014 /nfs/dbraw/zinc/33/40/14/900334014.db2.gz UHUMNCJJOVEOOE-CMPLNLGQSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@H]2CCNC2=O)CC[N@H+]1C ZINC001391201059 900334545 /nfs/dbraw/zinc/33/45/45/900334545.db2.gz LCCFSDWHMVVIJG-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001391222920 900343693 /nfs/dbraw/zinc/34/36/93/900343693.db2.gz VGEQDDLSFYOORY-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H]([NH2+]CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001391235166 900346182 /nfs/dbraw/zinc/34/61/82/900346182.db2.gz UVLRGCYIFJGLOP-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]([NH2+]CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001391235166 900346188 /nfs/dbraw/zinc/34/61/88/900346188.db2.gz UVLRGCYIFJGLOP-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001391228920 900346773 /nfs/dbraw/zinc/34/67/73/900346773.db2.gz SBGANVHQGMSYEA-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH+]1CCC(OCC(=O)N[C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC001391400545 900364659 /nfs/dbraw/zinc/36/46/59/900364659.db2.gz MEYQQKXMIJSLPN-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP CN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001391398404 900367094 /nfs/dbraw/zinc/36/70/94/900367094.db2.gz BRMLZEWONSFEAR-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001391398404 900367103 /nfs/dbraw/zinc/36/71/03/900367103.db2.gz BRMLZEWONSFEAR-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)OCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001391471118 900392292 /nfs/dbraw/zinc/39/22/92/900392292.db2.gz VTCJXTHVVRIZJT-AWEZNQCLSA-N 2 1 299.415 -0.210 20 0 CBADMP CC(C)OCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001391471118 900392303 /nfs/dbraw/zinc/39/23/03/900392303.db2.gz VTCJXTHVVRIZJT-AWEZNQCLSA-N 2 1 299.415 -0.210 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001391862492 900453303 /nfs/dbraw/zinc/45/33/03/900453303.db2.gz NPXWHGDXIYPWSF-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001391945890 900469209 /nfs/dbraw/zinc/46/92/09/900469209.db2.gz MKICTYOMYYBXLP-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001391945888 900469466 /nfs/dbraw/zinc/46/94/66/900469466.db2.gz MKICTYOMYYBXLP-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1nnn(C)n1 ZINC001391963628 900474405 /nfs/dbraw/zinc/47/44/05/900474405.db2.gz PIEUKBJVNCEKDV-WDEREUQCSA-N 2 1 295.391 -0.996 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nnn(C)n1 ZINC001391963628 900474414 /nfs/dbraw/zinc/47/44/14/900474414.db2.gz PIEUKBJVNCEKDV-WDEREUQCSA-N 2 1 295.391 -0.996 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001392047017 900500862 /nfs/dbraw/zinc/50/08/62/900500862.db2.gz CQGLFAQZJJMYEU-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001392093678 900511869 /nfs/dbraw/zinc/51/18/69/900511869.db2.gz UDKDYGNTPFHTJW-DGCLKSJQSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001392093678 900511883 /nfs/dbraw/zinc/51/18/83/900511883.db2.gz UDKDYGNTPFHTJW-DGCLKSJQSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001392116225 900516613 /nfs/dbraw/zinc/51/66/13/900516613.db2.gz JJEKATSUPVNPGV-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001392125063 900518732 /nfs/dbraw/zinc/51/87/32/900518732.db2.gz VUGBHLGYUOPSIC-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001392225894 900534881 /nfs/dbraw/zinc/53/48/81/900534881.db2.gz HHKVMIPZUMCPKU-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CN(CCN(C)C(=O)C[N@@H+](C)C1CCC1)CC(N)=O ZINC001392282332 900549543 /nfs/dbraw/zinc/54/95/43/900549543.db2.gz DSGCBAOSLSRSKV-UHFFFAOYSA-N 2 1 270.377 -0.654 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001392302376 900560516 /nfs/dbraw/zinc/56/05/16/900560516.db2.gz HMBZQJJCFLEHCN-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001392302376 900560521 /nfs/dbraw/zinc/56/05/21/900560521.db2.gz HMBZQJJCFLEHCN-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@H]1CCN(C)C1=O ZINC001392321726 900562909 /nfs/dbraw/zinc/56/29/09/900562909.db2.gz IDJBULMSGCFJST-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@H]1CCN(C)C1=O ZINC001392321726 900562918 /nfs/dbraw/zinc/56/29/18/900562918.db2.gz IDJBULMSGCFJST-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001392321726 900562924 /nfs/dbraw/zinc/56/29/24/900562924.db2.gz IDJBULMSGCFJST-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001392321726 900562932 /nfs/dbraw/zinc/56/29/32/900562932.db2.gz IDJBULMSGCFJST-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]([NH2+]CC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001392441694 900619203 /nfs/dbraw/zinc/61/92/03/900619203.db2.gz IBGVMNSYLDGYRE-WDEREUQCSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001392441693 900620910 /nfs/dbraw/zinc/62/09/10/900620910.db2.gz IBGVMNSYLDGYRE-QWRGUYRKSA-N 2 1 284.404 -0.171 20 0 CBADMP CCn1cc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)nn1 ZINC001392503976 900637779 /nfs/dbraw/zinc/63/77/79/900637779.db2.gz FQRCGOQLCPUNOY-LLVKDONJSA-N 2 1 282.392 -0.156 20 0 CBADMP CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001392529879 900648065 /nfs/dbraw/zinc/64/80/65/900648065.db2.gz LJFFYMWEOVGSSJ-NEPJUHHUSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001392529879 900648070 /nfs/dbraw/zinc/64/80/70/900648070.db2.gz LJFFYMWEOVGSSJ-NEPJUHHUSA-N 2 1 294.403 -0.156 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001392568772 900664094 /nfs/dbraw/zinc/66/40/94/900664094.db2.gz DJGOLXREFOAODR-NWDGAFQWSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001392566942 900664296 /nfs/dbraw/zinc/66/42/96/900664296.db2.gz FRKDMYSFIMVDBI-NSHDSACASA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001392605047 900674791 /nfs/dbraw/zinc/67/47/91/900674791.db2.gz ZDXAOSHTCGCEQX-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392605047 900674796 /nfs/dbraw/zinc/67/47/96/900674796.db2.gz ZDXAOSHTCGCEQX-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392605047 900674801 /nfs/dbraw/zinc/67/48/01/900674801.db2.gz ZDXAOSHTCGCEQX-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392608421 900678768 /nfs/dbraw/zinc/67/87/68/900678768.db2.gz OENAJFVMWPKEQP-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392608421 900678772 /nfs/dbraw/zinc/67/87/72/900678772.db2.gz OENAJFVMWPKEQP-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392796475 900727288 /nfs/dbraw/zinc/72/72/88/900727288.db2.gz DWYVFWARHSXXGO-PWSUYJOCSA-N 2 1 282.388 -0.702 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392814317 900731505 /nfs/dbraw/zinc/73/15/05/900731505.db2.gz UOCDXZUUDIJODD-CHWSQXEVSA-N 2 1 296.415 -0.489 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@H](C)C(N)=O)CC2)CC[N@H+]1C ZINC001392908896 900757795 /nfs/dbraw/zinc/75/77/95/900757795.db2.gz SBZDNRUVQLYYNR-GRYCIOLGSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@@H](C)C(N)=O)CC2)CC[N@H+]1C ZINC001392908899 900758434 /nfs/dbraw/zinc/75/84/34/900758434.db2.gz SBZDNRUVQLYYNR-SDDRHHMPSA-N 2 1 296.415 -0.171 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001392939284 900766005 /nfs/dbraw/zinc/76/60/05/900766005.db2.gz CWZZQLYQYKPCPK-UHFFFAOYSA-N 2 1 293.371 -0.305 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001393279743 900826057 /nfs/dbraw/zinc/82/60/57/900826057.db2.gz FIEMNAKTTYCDSY-DZGCQCFKSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001393279743 900826063 /nfs/dbraw/zinc/82/60/63/900826063.db2.gz FIEMNAKTTYCDSY-DZGCQCFKSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001393279743 900826068 /nfs/dbraw/zinc/82/60/68/900826068.db2.gz FIEMNAKTTYCDSY-DZGCQCFKSA-N 2 1 299.415 -0.736 20 0 CBADMP CCC[NH+]1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001393318979 900838883 /nfs/dbraw/zinc/83/88/83/900838883.db2.gz SCFNISJITWBXAK-ZDUSSCGKSA-N 2 1 281.400 -0.099 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(CCCO)C1 ZINC001393330688 900841437 /nfs/dbraw/zinc/84/14/37/900841437.db2.gz BDSOIDCYBOIKBI-LBPRGKRZSA-N 2 1 285.388 -0.984 20 0 CBADMP CN1CCCC[C@H]1C(=O)NCC1(O)CN(CCCO)C1 ZINC001393330688 900841441 /nfs/dbraw/zinc/84/14/41/900841441.db2.gz BDSOIDCYBOIKBI-LBPRGKRZSA-N 2 1 285.388 -0.984 20 0 CBADMP CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001393420355 900854506 /nfs/dbraw/zinc/85/45/06/900854506.db2.gz RACHETBVKWAXOJ-BETUJISGSA-N 2 1 296.415 -0.584 20 0 CBADMP C[C@H](O)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001393700906 900896027 /nfs/dbraw/zinc/89/60/27/900896027.db2.gz APZWIGOHNOAWRD-QWHCGFSZSA-N 2 1 299.415 -0.284 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001394004979 900948921 /nfs/dbraw/zinc/94/89/21/900948921.db2.gz URYHNPJPNTXNTF-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)CC(N)=O ZINC001394098544 900969438 /nfs/dbraw/zinc/96/94/38/900969438.db2.gz AQPVXKRZNNRHCW-SNVBAGLBSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@@H+](C)CC(N)=O ZINC001394098544 900969446 /nfs/dbraw/zinc/96/94/46/900969446.db2.gz AQPVXKRZNNRHCW-SNVBAGLBSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)CC(=O)N1CCC1 ZINC001394105461 900972782 /nfs/dbraw/zinc/97/27/82/900972782.db2.gz UETOAWZNZOYFEM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)CC(=O)N1CCC1 ZINC001394105461 900972791 /nfs/dbraw/zinc/97/27/91/900972791.db2.gz UETOAWZNZOYFEM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001394098670 900973541 /nfs/dbraw/zinc/97/35/41/900973541.db2.gz AQNRETMLQNRRLC-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001394098670 900973544 /nfs/dbraw/zinc/97/35/44/900973544.db2.gz AQNRETMLQNRRLC-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001394120253 900977928 /nfs/dbraw/zinc/97/79/28/900977928.db2.gz AROKXZWIVIODQD-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001394120253 900977938 /nfs/dbraw/zinc/97/79/38/900977938.db2.gz AROKXZWIVIODQD-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001394120459 900982245 /nfs/dbraw/zinc/98/22/45/900982245.db2.gz CEFZXIYAHWPOBX-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001394120459 900982256 /nfs/dbraw/zinc/98/22/56/900982256.db2.gz CEFZXIYAHWPOBX-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@H](C)C(N)=O ZINC001394139437 900984691 /nfs/dbraw/zinc/98/46/91/900984691.db2.gz WVHJYJZPESSBAK-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)[C@H](C)C(N)=O ZINC001394139437 900984701 /nfs/dbraw/zinc/98/47/01/900984701.db2.gz WVHJYJZPESSBAK-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001394261883 901002654 /nfs/dbraw/zinc/00/26/54/901002654.db2.gz JWRPYFQWXXCYQX-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001394261883 901002665 /nfs/dbraw/zinc/00/26/65/901002665.db2.gz JWRPYFQWXXCYQX-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001394373452 901020246 /nfs/dbraw/zinc/02/02/46/901020246.db2.gz ZXKWXODQBULCKM-KKOKHZNYSA-N 2 1 282.388 -0.561 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]C/C=C\Cl ZINC001394584280 901071789 /nfs/dbraw/zinc/07/17/89/901071789.db2.gz WVYUVVMJDWUDSY-VRJVPJCWSA-N 2 1 275.780 -0.100 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]C/C=C/Cl ZINC001394584274 901072847 /nfs/dbraw/zinc/07/28/47/901072847.db2.gz WVYUVVMJDWUDSY-FWCMMDKOSA-N 2 1 275.780 -0.100 20 0 CBADMP CO[C@H](C)C[NH2+][C@@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001394620276 901092983 /nfs/dbraw/zinc/09/29/83/901092983.db2.gz WZPRQERTEFGPNY-VXGBXAGGSA-N 2 1 284.360 -0.707 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001394663050 901113071 /nfs/dbraw/zinc/11/30/71/901113071.db2.gz KNVDJWASPFYTAJ-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC)C[C@H]1C ZINC001394667395 901115288 /nfs/dbraw/zinc/11/52/88/901115288.db2.gz IWTSBNLKEDZAPF-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001394808653 901157928 /nfs/dbraw/zinc/15/79/28/901157928.db2.gz CNEPUOWMZFEZSV-WDEREUQCSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC(N)=O ZINC001397743966 901451006 /nfs/dbraw/zinc/45/10/06/901451006.db2.gz ZEKNDZCXXXSLRU-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC(N)=O ZINC001397743966 901451013 /nfs/dbraw/zinc/45/10/13/901451013.db2.gz ZEKNDZCXXXSLRU-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCC[NH+]1C ZINC001397930456 901479979 /nfs/dbraw/zinc/47/99/79/901479979.db2.gz WHTNRVJYXMVGDZ-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)[C@@H]1CC[NH+](C)C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001397930456 901479983 /nfs/dbraw/zinc/47/99/83/901479983.db2.gz WHTNRVJYXMVGDZ-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)[C@@H]1CC[NH+](C)C1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001397930456 901479992 /nfs/dbraw/zinc/47/99/92/901479992.db2.gz WHTNRVJYXMVGDZ-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H]2CCNC2=O)C1 ZINC001398255939 901512061 /nfs/dbraw/zinc/51/20/61/901512061.db2.gz UPDCRKXDUABRIH-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H]2CCNC2=O)C1 ZINC001398255939 901512070 /nfs/dbraw/zinc/51/20/70/901512070.db2.gz UPDCRKXDUABRIH-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001398255939 901512077 /nfs/dbraw/zinc/51/20/77/901512077.db2.gz UPDCRKXDUABRIH-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001398255939 901512082 /nfs/dbraw/zinc/51/20/82/901512082.db2.gz UPDCRKXDUABRIH-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001398534764 901550657 /nfs/dbraw/zinc/55/06/57/901550657.db2.gz TXZVFMBLBBCWRW-NWDGAFQWSA-N 2 1 282.388 -0.594 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001398551542 901558701 /nfs/dbraw/zinc/55/87/01/901558701.db2.gz DQTXIFMSVUHXCP-SYQHCUMBSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001398554248 901558769 /nfs/dbraw/zinc/55/87/69/901558769.db2.gz BNFOFHLIOZECEP-JOCQHMNTSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)OC)C2)C1 ZINC001398668805 901588839 /nfs/dbraw/zinc/58/88/39/901588839.db2.gz SNDUYLQWTAMBTR-MQYQWHSLSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)OC)C2)C1 ZINC001398668805 901588848 /nfs/dbraw/zinc/58/88/48/901588848.db2.gz SNDUYLQWTAMBTR-MQYQWHSLSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CC(N)=O ZINC001398781857 901602237 /nfs/dbraw/zinc/60/22/37/901602237.db2.gz ZPEJKYCGMMZZSM-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CC(N)=O ZINC001398781857 901602245 /nfs/dbraw/zinc/60/22/45/901602245.db2.gz ZPEJKYCGMMZZSM-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001398781857 901602254 /nfs/dbraw/zinc/60/22/54/901602254.db2.gz ZPEJKYCGMMZZSM-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001398781857 901602259 /nfs/dbraw/zinc/60/22/59/901602259.db2.gz ZPEJKYCGMMZZSM-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001399114951 901668583 /nfs/dbraw/zinc/66/85/83/901668583.db2.gz SVNZIKQOQUORFH-QWRGUYRKSA-N 2 1 297.407 -0.293 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001399114951 901668599 /nfs/dbraw/zinc/66/85/99/901668599.db2.gz SVNZIKQOQUORFH-QWRGUYRKSA-N 2 1 297.407 -0.293 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001399114944 901669447 /nfs/dbraw/zinc/66/94/47/901669447.db2.gz SVNZIKQOQUORFH-MNOVXSKESA-N 2 1 297.407 -0.293 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001399114944 901669454 /nfs/dbraw/zinc/66/94/54/901669454.db2.gz SVNZIKQOQUORFH-MNOVXSKESA-N 2 1 297.407 -0.293 20 0 CBADMP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399127110 901673600 /nfs/dbraw/zinc/67/36/00/901673600.db2.gz WAWGRMGWGZRTLL-ONGXEEELSA-N 2 1 281.360 -0.076 20 0 CBADMP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399127110 901673605 /nfs/dbraw/zinc/67/36/05/901673605.db2.gz WAWGRMGWGZRTLL-ONGXEEELSA-N 2 1 281.360 -0.076 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001399250934 901687994 /nfs/dbraw/zinc/68/79/94/901687994.db2.gz YUHHVKFZGABCHA-VXGBXAGGSA-N 2 1 282.388 -0.878 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001399258764 901688483 /nfs/dbraw/zinc/68/84/83/901688483.db2.gz XCHJWLDUMNXOEQ-VXGBXAGGSA-N 2 1 284.404 -0.362 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H]1CCCNC1=O ZINC001399435613 901714641 /nfs/dbraw/zinc/71/46/41/901714641.db2.gz JIIWJAKDHFSHJP-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H]1CCCNC1=O ZINC001399435613 901714648 /nfs/dbraw/zinc/71/46/48/901714648.db2.gz JIIWJAKDHFSHJP-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCCNC1=O ZINC001399435613 901714660 /nfs/dbraw/zinc/71/46/60/901714660.db2.gz JIIWJAKDHFSHJP-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCCNC1=O ZINC001399435613 901714673 /nfs/dbraw/zinc/71/46/73/901714673.db2.gz JIIWJAKDHFSHJP-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001399489784 901734435 /nfs/dbraw/zinc/73/44/35/901734435.db2.gz VSBOLCNBCVUYGV-UONOGXRCSA-N 2 1 299.415 -0.617 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCCNC1=O ZINC001399635193 901760350 /nfs/dbraw/zinc/76/03/50/901760350.db2.gz SFPPIFPYCHIRHL-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCCNC1=O ZINC001399635193 901760359 /nfs/dbraw/zinc/76/03/59/901760359.db2.gz SFPPIFPYCHIRHL-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@H]1CCCNC1=O ZINC001399635193 901760373 /nfs/dbraw/zinc/76/03/73/901760373.db2.gz SFPPIFPYCHIRHL-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001399635193 901760383 /nfs/dbraw/zinc/76/03/83/901760383.db2.gz SFPPIFPYCHIRHL-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CN1CC[C@H]([N@H+](C)CCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001399639862 901760559 /nfs/dbraw/zinc/76/05/59/901760559.db2.gz KZBVSYLJJAATGU-LBPRGKRZSA-N 2 1 294.399 -0.639 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001399639862 901760565 /nfs/dbraw/zinc/76/05/65/901760565.db2.gz KZBVSYLJJAATGU-LBPRGKRZSA-N 2 1 294.399 -0.639 20 0 CBADMP CN1CC[C@@H]([N@H+](C)CCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001399639855 901761716 /nfs/dbraw/zinc/76/17/16/901761716.db2.gz KZBVSYLJJAATGU-GFCCVEGCSA-N 2 1 294.399 -0.639 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001399639855 901761728 /nfs/dbraw/zinc/76/17/28/901761728.db2.gz KZBVSYLJJAATGU-GFCCVEGCSA-N 2 1 294.399 -0.639 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001399654813 901764834 /nfs/dbraw/zinc/76/48/34/901764834.db2.gz KURPEQAXWYYMCZ-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001399654813 901764845 /nfs/dbraw/zinc/76/48/45/901764845.db2.gz KURPEQAXWYYMCZ-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001399654813 901764856 /nfs/dbraw/zinc/76/48/56/901764856.db2.gz KURPEQAXWYYMCZ-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001399654813 901764864 /nfs/dbraw/zinc/76/48/64/901764864.db2.gz KURPEQAXWYYMCZ-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCCNC1=O ZINC001399654228 901765192 /nfs/dbraw/zinc/76/51/92/901765192.db2.gz KYCBWYMYTJPXAZ-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCCNC1=O ZINC001399654228 901765208 /nfs/dbraw/zinc/76/52/08/901765208.db2.gz KYCBWYMYTJPXAZ-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCCNC1=O ZINC001399654228 901765218 /nfs/dbraw/zinc/76/52/18/901765218.db2.gz KYCBWYMYTJPXAZ-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCCNC1=O ZINC001399654228 901765238 /nfs/dbraw/zinc/76/52/38/901765238.db2.gz KYCBWYMYTJPXAZ-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC001399817827 901811545 /nfs/dbraw/zinc/81/15/45/901811545.db2.gz AJICEPAABAJSOQ-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001399876870 901821365 /nfs/dbraw/zinc/82/13/65/901821365.db2.gz RRDPTXSHCWEELH-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001399876870 901821369 /nfs/dbraw/zinc/82/13/69/901821369.db2.gz RRDPTXSHCWEELH-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001399876875 901822154 /nfs/dbraw/zinc/82/21/54/901822154.db2.gz RRDPTXSHCWEELH-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001399876875 901822162 /nfs/dbraw/zinc/82/21/62/901822162.db2.gz RRDPTXSHCWEELH-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+](C)CC1(C(=O)NCC[N@H+](CC(N)=O)C2CC2)CC1 ZINC001400023407 901855442 /nfs/dbraw/zinc/85/54/42/901855442.db2.gz NXWUGNNKHIXYBC-UHFFFAOYSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+](C)CC1(C(=O)NCC[N@@H+](CC(N)=O)C2CC2)CC1 ZINC001400023407 901855447 /nfs/dbraw/zinc/85/54/47/901855447.db2.gz NXWUGNNKHIXYBC-UHFFFAOYSA-N 2 1 282.388 -0.606 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH+](C1CC1)[C@@H]1CCNC1=O ZINC001400044394 901862258 /nfs/dbraw/zinc/86/22/58/901862258.db2.gz WJQBNQVZZSYVBY-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C1CC1)[C@@H]1CCNC1=O ZINC001400044394 901862271 /nfs/dbraw/zinc/86/22/71/901862271.db2.gz WJQBNQVZZSYVBY-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001400044394 901862288 /nfs/dbraw/zinc/86/22/88/901862288.db2.gz WJQBNQVZZSYVBY-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001400044394 901862295 /nfs/dbraw/zinc/86/22/95/901862295.db2.gz WJQBNQVZZSYVBY-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1nncn1C ZINC001400043592 901863710 /nfs/dbraw/zinc/86/37/10/901863710.db2.gz SEFLVRRRUNOTAT-LLVKDONJSA-N 2 1 282.392 -0.124 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001400064821 901870701 /nfs/dbraw/zinc/87/07/01/901870701.db2.gz DOGSFOOXEBRMQP-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001400084580 901875502 /nfs/dbraw/zinc/87/55/02/901875502.db2.gz VDTOGNMSWHOKSG-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001400166393 901888929 /nfs/dbraw/zinc/88/89/29/901888929.db2.gz AIYAQFDTEJMNRF-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001400160243 901889182 /nfs/dbraw/zinc/88/91/82/901889182.db2.gz WUTRKWOZCFVPBM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001400160243 901889190 /nfs/dbraw/zinc/88/91/90/901889190.db2.gz WUTRKWOZCFVPBM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001400307155 901910545 /nfs/dbraw/zinc/91/05/45/901910545.db2.gz GEJKIWLFCAFERZ-IHRRRGAJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001400307155 901910559 /nfs/dbraw/zinc/91/05/59/901910559.db2.gz GEJKIWLFCAFERZ-IHRRRGAJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001400307155 901910569 /nfs/dbraw/zinc/91/05/69/901910569.db2.gz GEJKIWLFCAFERZ-IHRRRGAJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001400307159 901911572 /nfs/dbraw/zinc/91/15/72/901911572.db2.gz GEJKIWLFCAFERZ-RDBSUJKOSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001400307159 901911577 /nfs/dbraw/zinc/91/15/77/901911577.db2.gz GEJKIWLFCAFERZ-RDBSUJKOSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001400307159 901911584 /nfs/dbraw/zinc/91/15/84/901911584.db2.gz GEJKIWLFCAFERZ-RDBSUJKOSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001400620426 901979283 /nfs/dbraw/zinc/97/92/83/901979283.db2.gz KOUJDUOEHKVSMZ-KBPBESRZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001400631485 901986590 /nfs/dbraw/zinc/98/65/90/901986590.db2.gz PUMNDZKOPGAEIM-AGIUHOORSA-N 2 1 298.431 -0.006 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001400631485 901986600 /nfs/dbraw/zinc/98/66/00/901986600.db2.gz PUMNDZKOPGAEIM-AGIUHOORSA-N 2 1 298.431 -0.006 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001400701104 901994516 /nfs/dbraw/zinc/99/45/16/901994516.db2.gz ADVYVBNMMQFQES-GFCCVEGCSA-N 2 1 284.404 -0.441 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001400701104 901994524 /nfs/dbraw/zinc/99/45/24/901994524.db2.gz ADVYVBNMMQFQES-GFCCVEGCSA-N 2 1 284.404 -0.441 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001400711534 901999754 /nfs/dbraw/zinc/99/97/54/901999754.db2.gz SAZVRFCUEBKANM-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001400711534 901999766 /nfs/dbraw/zinc/99/97/66/901999766.db2.gz SAZVRFCUEBKANM-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001400739478 902007554 /nfs/dbraw/zinc/00/75/54/902007554.db2.gz NUDLYJCWJRXJRV-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001400735362 902009414 /nfs/dbraw/zinc/00/94/14/902009414.db2.gz GNDLOVLMYTWAQD-CYBMUJFWSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001400735362 902009432 /nfs/dbraw/zinc/00/94/32/902009432.db2.gz GNDLOVLMYTWAQD-CYBMUJFWSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001400735362 902009444 /nfs/dbraw/zinc/00/94/44/902009444.db2.gz GNDLOVLMYTWAQD-CYBMUJFWSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001400735362 902009460 /nfs/dbraw/zinc/00/94/60/902009460.db2.gz GNDLOVLMYTWAQD-CYBMUJFWSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001400787809 902012979 /nfs/dbraw/zinc/01/29/79/902012979.db2.gz BTDKBHCXNNZIRT-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001400860754 902028817 /nfs/dbraw/zinc/02/88/17/902028817.db2.gz OYRWVKLMYFIASU-QWRGUYRKSA-N 2 1 297.407 -0.465 20 0 CBADMP CC[C@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+][C@@H](C)C(N)=O ZINC001400856280 902029614 /nfs/dbraw/zinc/02/96/14/902029614.db2.gz ZICPFJFEEYCGGR-WDEREUQCSA-N 2 1 281.360 -0.450 20 0 CBADMP CC[C@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+][C@H](C)C(N)=O ZINC001400856267 902029747 /nfs/dbraw/zinc/02/97/47/902029747.db2.gz ZICPFJFEEYCGGR-GHMZBOCLSA-N 2 1 281.360 -0.450 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401009181 902040810 /nfs/dbraw/zinc/04/08/10/902040810.db2.gz MICPTJJRPWVNFQ-IAQYHMDHSA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1nncn1C ZINC001401125409 902061279 /nfs/dbraw/zinc/06/12/79/902061279.db2.gz OITXANRZFMVYFS-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCO ZINC001401372310 902115888 /nfs/dbraw/zinc/11/58/88/902115888.db2.gz WEFMRFJGOZECPF-VXGBXAGGSA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCO ZINC001401372310 902115899 /nfs/dbraw/zinc/11/58/99/902115899.db2.gz WEFMRFJGOZECPF-VXGBXAGGSA-N 2 1 273.377 -0.960 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001401381536 902118235 /nfs/dbraw/zinc/11/82/35/902118235.db2.gz CTQCYXIDUJNGMT-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001401381536 902118245 /nfs/dbraw/zinc/11/82/45/902118245.db2.gz CTQCYXIDUJNGMT-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401381536 902118251 /nfs/dbraw/zinc/11/82/51/902118251.db2.gz CTQCYXIDUJNGMT-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401381536 902118256 /nfs/dbraw/zinc/11/82/56/902118256.db2.gz CTQCYXIDUJNGMT-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001401388403 902119303 /nfs/dbraw/zinc/11/93/03/902119303.db2.gz OODNRCJATADUSW-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001401388403 902119307 /nfs/dbraw/zinc/11/93/07/902119307.db2.gz OODNRCJATADUSW-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001401434791 902123586 /nfs/dbraw/zinc/12/35/86/902123586.db2.gz FOQUCRZMQGKMMT-QWRGUYRKSA-N 2 1 270.377 -0.798 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001401434791 902123593 /nfs/dbraw/zinc/12/35/93/902123593.db2.gz FOQUCRZMQGKMMT-QWRGUYRKSA-N 2 1 270.377 -0.798 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401434791 902123598 /nfs/dbraw/zinc/12/35/98/902123598.db2.gz FOQUCRZMQGKMMT-QWRGUYRKSA-N 2 1 270.377 -0.798 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401434791 902123605 /nfs/dbraw/zinc/12/36/05/902123605.db2.gz FOQUCRZMQGKMMT-QWRGUYRKSA-N 2 1 270.377 -0.798 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001401491593 902137833 /nfs/dbraw/zinc/13/78/33/902137833.db2.gz GWEGMSIMZKTGLV-UONOGXRCSA-N 2 1 292.383 -0.258 20 0 CBADMP Cc1nnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)[nH]1 ZINC001401562120 902170378 /nfs/dbraw/zinc/17/03/78/902170378.db2.gz SZQMRRVJIDEJKK-ONGXEEELSA-N 2 1 298.391 -0.807 20 0 CBADMP O=C(NC[C@H](O)C[NH2+]Cc1ccon1)C12CC[NH+](CC1)C2 ZINC001401577526 902175042 /nfs/dbraw/zinc/17/50/42/902175042.db2.gz HDFLIJJYVMHBGS-GFCCVEGCSA-N 2 1 294.355 -0.663 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001401601867 902181716 /nfs/dbraw/zinc/18/17/16/902181716.db2.gz FGDMLEFLXRLQBU-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001401609652 902188738 /nfs/dbraw/zinc/18/87/38/902188738.db2.gz LFJANGKTVMSJKN-NEPJUHHUSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[C@H]([NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001401612749 902189811 /nfs/dbraw/zinc/18/98/11/902189811.db2.gz YRDKGRYBXGZTTO-PWSUYJOCSA-N 2 1 295.387 -0.060 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C1CC[NH+](C)CC1 ZINC001401642244 902204476 /nfs/dbraw/zinc/20/44/76/902204476.db2.gz XIZUBQJMWAJNIR-SNVBAGLBSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401640971 902204673 /nfs/dbraw/zinc/20/46/73/902204673.db2.gz RQOKEJUYOHYKAL-YPMHNXCESA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001401640971 902204678 /nfs/dbraw/zinc/20/46/78/902204678.db2.gz RQOKEJUYOHYKAL-YPMHNXCESA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001401641927 902206008 /nfs/dbraw/zinc/20/60/08/902206008.db2.gz UOTOZXMWODGOPE-YPMHNXCESA-N 2 1 296.415 -0.156 20 0 CBADMP CO[C@H](C)C[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001401649673 902210603 /nfs/dbraw/zinc/21/06/03/902210603.db2.gz FCRVXVZONRJSSU-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CCn1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001401670966 902215908 /nfs/dbraw/zinc/21/59/08/902215908.db2.gz JGUZCJPGXNRCAJ-AAEUAGOBSA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001401670966 902215922 /nfs/dbraw/zinc/21/59/22/902215922.db2.gz JGUZCJPGXNRCAJ-AAEUAGOBSA-N 2 1 294.403 -0.014 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001401667538 902218983 /nfs/dbraw/zinc/21/89/83/902218983.db2.gz LULGQAWGUCTGIP-PWSUYJOCSA-N 2 1 293.371 -0.483 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnnn1C ZINC001401669293 902219678 /nfs/dbraw/zinc/21/96/78/902219678.db2.gz JYFBCXRVZFNAFN-MNOVXSKESA-N 2 1 297.407 -0.294 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnnn1C ZINC001401669293 902219693 /nfs/dbraw/zinc/21/96/93/902219693.db2.gz JYFBCXRVZFNAFN-MNOVXSKESA-N 2 1 297.407 -0.294 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401722194 902243124 /nfs/dbraw/zinc/24/31/24/902243124.db2.gz MYGPNTARRQFAIK-RYUDHWBXSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001401777661 902275195 /nfs/dbraw/zinc/27/51/95/902275195.db2.gz HELVYYICSZTPOA-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001401777661 902275199 /nfs/dbraw/zinc/27/51/99/902275199.db2.gz HELVYYICSZTPOA-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001401777661 902275207 /nfs/dbraw/zinc/27/52/07/902275207.db2.gz HELVYYICSZTPOA-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001401777661 902275212 /nfs/dbraw/zinc/27/52/12/902275212.db2.gz HELVYYICSZTPOA-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001401829219 902286555 /nfs/dbraw/zinc/28/65/55/902286555.db2.gz QUQKVOMCHKOSOZ-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001401829219 902286569 /nfs/dbraw/zinc/28/65/69/902286569.db2.gz QUQKVOMCHKOSOZ-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC(=O)N(C)C ZINC001401829219 902286583 /nfs/dbraw/zinc/28/65/83/902286583.db2.gz QUQKVOMCHKOSOZ-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC(=O)N(C)C ZINC001401829219 902286594 /nfs/dbraw/zinc/28/65/94/902286594.db2.gz QUQKVOMCHKOSOZ-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001401984927 902333200 /nfs/dbraw/zinc/33/32/00/902333200.db2.gz HXCKKZLWVODXHU-LBPRGKRZSA-N 2 1 296.415 -0.204 20 0 CBADMP CN1CCC[C@@H]([N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001402177887 902380551 /nfs/dbraw/zinc/38/05/51/902380551.db2.gz CKGOAIFJRDDWCS-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001402261083 902394665 /nfs/dbraw/zinc/39/46/65/902394665.db2.gz DVCUGEGWGCGHHZ-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CCCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001402261083 902394675 /nfs/dbraw/zinc/39/46/75/902394675.db2.gz DVCUGEGWGCGHHZ-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CCCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001402261083 902394681 /nfs/dbraw/zinc/39/46/81/902394681.db2.gz DVCUGEGWGCGHHZ-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CCCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001402261083 902394691 /nfs/dbraw/zinc/39/46/91/902394691.db2.gz DVCUGEGWGCGHHZ-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001402314349 902422771 /nfs/dbraw/zinc/42/27/71/902422771.db2.gz XWOCTTFRINWDCS-RTXFEEFZSA-N 2 1 296.415 -0.443 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001402371118 902439507 /nfs/dbraw/zinc/43/95/07/902439507.db2.gz GXFZPHQIEUOAGX-LBPRGKRZSA-N 2 1 284.404 -0.443 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001402371117 902440123 /nfs/dbraw/zinc/44/01/23/902440123.db2.gz GXFZPHQIEUOAGX-GFCCVEGCSA-N 2 1 284.404 -0.443 20 0 CBADMP COC[C@H](C)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001402385640 902440247 /nfs/dbraw/zinc/44/02/47/902440247.db2.gz LQDNQBFMGLIKJF-RYUDHWBXSA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001402402705 902442261 /nfs/dbraw/zinc/44/22/61/902442261.db2.gz JJEZYXPSNICAFP-ZDUSSCGKSA-N 2 1 296.415 -0.262 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001402463109 902457590 /nfs/dbraw/zinc/45/75/90/902457590.db2.gz QCVMAJZHGJLEEB-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001402474087 902459524 /nfs/dbraw/zinc/45/95/24/902459524.db2.gz OKUHEZKNMSGJPP-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001402474087 902459534 /nfs/dbraw/zinc/45/95/34/902459534.db2.gz OKUHEZKNMSGJPP-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001402474087 902459541 /nfs/dbraw/zinc/45/95/41/902459541.db2.gz OKUHEZKNMSGJPP-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001402474087 902459548 /nfs/dbraw/zinc/45/95/48/902459548.db2.gz OKUHEZKNMSGJPP-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001402520180 902471920 /nfs/dbraw/zinc/47/19/20/902471920.db2.gz YZCQUBLUEUEKRN-JHJVBQTASA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCC1 ZINC001402580672 902484354 /nfs/dbraw/zinc/48/43/54/902484354.db2.gz SETKADLATZDZIH-ZDUSSCGKSA-N 2 1 299.415 -0.282 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001402632640 902494024 /nfs/dbraw/zinc/49/40/24/902494024.db2.gz PKDYKVDESIGULL-SDDRHHMPSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC)C1 ZINC001402787923 902518548 /nfs/dbraw/zinc/51/85/48/902518548.db2.gz NWWFMPICECMMKC-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC)C1 ZINC001402799537 902523570 /nfs/dbraw/zinc/52/35/70/902523570.db2.gz ZHTJYPNHFLSKFY-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC(N)=O ZINC001402830104 902528796 /nfs/dbraw/zinc/52/87/96/902528796.db2.gz XKNXNWRXEADROM-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CC(N)=O ZINC001402830104 902528800 /nfs/dbraw/zinc/52/88/00/902528800.db2.gz XKNXNWRXEADROM-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CC(N)=O ZINC001402830104 902528807 /nfs/dbraw/zinc/52/88/07/902528807.db2.gz XKNXNWRXEADROM-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CC(N)=O ZINC001402830104 902528813 /nfs/dbraw/zinc/52/88/13/902528813.db2.gz XKNXNWRXEADROM-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001402861495 902543070 /nfs/dbraw/zinc/54/30/70/902543070.db2.gz LXXUVKMSIODBSG-QWRGUYRKSA-N 2 1 272.393 -0.315 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001402908714 902559262 /nfs/dbraw/zinc/55/92/62/902559262.db2.gz QAFWVZOAQHTZTR-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CC(N)=O ZINC001402921717 902564884 /nfs/dbraw/zinc/56/48/84/902564884.db2.gz NJQNMCQMOPFXMG-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CC(N)=O ZINC001402921717 902564889 /nfs/dbraw/zinc/56/48/89/902564889.db2.gz NJQNMCQMOPFXMG-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O ZINC001402921717 902564897 /nfs/dbraw/zinc/56/48/97/902564897.db2.gz NJQNMCQMOPFXMG-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O ZINC001402921717 902564907 /nfs/dbraw/zinc/56/49/07/902564907.db2.gz NJQNMCQMOPFXMG-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H](C)[NH2+]CC(N)=O ZINC001402995322 902587231 /nfs/dbraw/zinc/58/72/31/902587231.db2.gz GWIDKGJNOOXFHU-NXEZZACHSA-N 2 1 270.377 -0.561 20 0 CBADMP CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001403053098 902601071 /nfs/dbraw/zinc/60/10/71/902601071.db2.gz GUQJXHCAXGTYGK-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1nncn1C ZINC001403078419 902607759 /nfs/dbraw/zinc/60/77/59/902607759.db2.gz FSIOMKCQMUWQLZ-NSHDSACASA-N 2 1 292.387 -0.495 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001403107086 902615298 /nfs/dbraw/zinc/61/52/98/902615298.db2.gz RXUIPCMPECKQNZ-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001403156477 902630832 /nfs/dbraw/zinc/63/08/32/902630832.db2.gz DSGFWIDREJOCQO-NSHDSACASA-N 2 1 284.404 -0.301 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@H]1CCN(C)C1=O ZINC001403181563 902640083 /nfs/dbraw/zinc/64/00/83/902640083.db2.gz ACGGWYXYCNSCJR-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC001403181563 902640092 /nfs/dbraw/zinc/64/00/92/902640092.db2.gz ACGGWYXYCNSCJR-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001403181563 902640100 /nfs/dbraw/zinc/64/01/00/902640100.db2.gz ACGGWYXYCNSCJR-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001403196383 902642560 /nfs/dbraw/zinc/64/25/60/902642560.db2.gz HAJCHVFCCAABOK-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001403196383 902642566 /nfs/dbraw/zinc/64/25/66/902642566.db2.gz HAJCHVFCCAABOK-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H](C)C(=O)NC ZINC001403185755 902644019 /nfs/dbraw/zinc/64/40/19/902644019.db2.gz FRTJJXMZXFWXPL-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H](C)C(=O)NC ZINC001403185755 902644025 /nfs/dbraw/zinc/64/40/25/902644025.db2.gz FRTJJXMZXFWXPL-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(=O)NC ZINC001403185755 902644028 /nfs/dbraw/zinc/64/40/28/902644028.db2.gz FRTJJXMZXFWXPL-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(=O)NC ZINC001403185755 902644032 /nfs/dbraw/zinc/64/40/32/902644032.db2.gz FRTJJXMZXFWXPL-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001403196356 902644327 /nfs/dbraw/zinc/64/43/27/902644327.db2.gz HAJCHVFCCAABOK-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001403196356 902644332 /nfs/dbraw/zinc/64/43/32/902644332.db2.gz HAJCHVFCCAABOK-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001403196340 902644602 /nfs/dbraw/zinc/64/46/02/902644602.db2.gz HAJCHVFCCAABOK-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001403196340 902644610 /nfs/dbraw/zinc/64/46/10/902644610.db2.gz HAJCHVFCCAABOK-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)[C@@H](C)C(N)=O ZINC001403189188 902645315 /nfs/dbraw/zinc/64/53/15/902645315.db2.gz VYFYGLHEXFEYDR-QWRGUYRKSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)[C@@H](C)C(N)=O ZINC001403189188 902645324 /nfs/dbraw/zinc/64/53/24/902645324.db2.gz VYFYGLHEXFEYDR-QWRGUYRKSA-N 2 1 282.388 -0.608 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001403224570 902654006 /nfs/dbraw/zinc/65/40/06/902654006.db2.gz PAWOXRQYMKODFK-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001403320203 902668263 /nfs/dbraw/zinc/66/82/63/902668263.db2.gz CUJXKGWWKNVZHB-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001403330497 902669407 /nfs/dbraw/zinc/66/94/07/902669407.db2.gz UAZHGDQXCBJVIY-JQWIXIFHSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001403368580 902678208 /nfs/dbraw/zinc/67/82/08/902678208.db2.gz AJDMQUBGZYCGGN-VXGBXAGGSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001403383302 902682112 /nfs/dbraw/zinc/68/21/12/902682112.db2.gz NGIBSMAHEMTVIN-GHMZBOCLSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001403383302 902682118 /nfs/dbraw/zinc/68/21/18/902682118.db2.gz NGIBSMAHEMTVIN-GHMZBOCLSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001403407410 902684716 /nfs/dbraw/zinc/68/47/16/902684716.db2.gz IRFQMAPSSYGZIT-LPWJVIDDSA-N 2 1 296.415 -0.171 20 0 CBADMP Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001403440905 902689998 /nfs/dbraw/zinc/68/99/98/902689998.db2.gz OLLHJVPGYBWCAK-XYPYZODXSA-N 2 1 295.391 -0.854 20 0 CBADMP CNC(=O)C[N@@H+](C)C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001403472279 902695164 /nfs/dbraw/zinc/69/51/64/902695164.db2.gz YMKLQYWGRWRRSP-UHFFFAOYSA-N 2 1 293.371 -0.379 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001403469812 902696430 /nfs/dbraw/zinc/69/64/30/902696430.db2.gz QLUQIIDRDGKGCO-NXEZZACHSA-N 2 1 281.360 -0.450 20 0 CBADMP CN(C(=O)C[N@@H+](C)C1CCC1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403520991 902709811 /nfs/dbraw/zinc/70/98/11/902709811.db2.gz WMHHCDDQCBGWMW-CYBMUJFWSA-N 2 1 296.415 -0.217 20 0 CBADMP CN(C(=O)C[N@@H+](C)C1CCC1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403520998 902711717 /nfs/dbraw/zinc/71/17/17/902711717.db2.gz WMHHCDDQCBGWMW-ZDUSSCGKSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001403591546 902745345 /nfs/dbraw/zinc/74/53/45/902745345.db2.gz VSRANQIOPIEELR-CHWSQXEVSA-N 2 1 294.403 -0.191 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001403749148 902833556 /nfs/dbraw/zinc/83/35/56/902833556.db2.gz KATYADODFLDVJK-NWDGAFQWSA-N 2 1 286.420 -0.245 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H](C)C(N)=O ZINC001403825290 902861323 /nfs/dbraw/zinc/86/13/23/902861323.db2.gz MWKRVPVZLXDORC-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H](C)C(N)=O ZINC001403825290 902861335 /nfs/dbraw/zinc/86/13/35/902861335.db2.gz MWKRVPVZLXDORC-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C)C(N)=O ZINC001403825290 902861344 /nfs/dbraw/zinc/86/13/44/902861344.db2.gz MWKRVPVZLXDORC-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@@H](C)C(N)=O ZINC001403825290 902861349 /nfs/dbraw/zinc/86/13/49/902861349.db2.gz MWKRVPVZLXDORC-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+](CCNC(=O)Cn1ccnc1)[C@H]1CCNC1=O ZINC001403945666 902912153 /nfs/dbraw/zinc/91/21/53/902912153.db2.gz MCXDZTYEPAEJSU-NSHDSACASA-N 2 1 279.344 -0.790 20 0 CBADMP CCN(CCNC(=O)Cn1ccnc1)[C@H]1CCNC1=O ZINC001403945666 902912159 /nfs/dbraw/zinc/91/21/59/902912159.db2.gz MCXDZTYEPAEJSU-NSHDSACASA-N 2 1 279.344 -0.790 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)[C@H]1CCN(C)C1=O ZINC001403953402 902912981 /nfs/dbraw/zinc/91/29/81/902912981.db2.gz UDTNCUAGOAAYJX-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC ZINC001403940789 902913548 /nfs/dbraw/zinc/91/35/48/902913548.db2.gz QHOSCEJZBJOIHV-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC ZINC001403940789 902913560 /nfs/dbraw/zinc/91/35/60/902913560.db2.gz QHOSCEJZBJOIHV-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC ZINC001403940789 902913572 /nfs/dbraw/zinc/91/35/72/902913572.db2.gz QHOSCEJZBJOIHV-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)NC ZINC001403940789 902913581 /nfs/dbraw/zinc/91/35/81/902913581.db2.gz QHOSCEJZBJOIHV-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC ZINC001403940789 902913589 /nfs/dbraw/zinc/91/35/89/902913589.db2.gz QHOSCEJZBJOIHV-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1nnnn1C)[NH+](C)C ZINC001404429113 902985173 /nfs/dbraw/zinc/98/51/73/902985173.db2.gz AIERTAWPSLZWCP-MNOVXSKESA-N 2 1 297.407 -0.341 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001404538178 902998878 /nfs/dbraw/zinc/99/88/78/902998878.db2.gz SUYRMYMLTBDPPN-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001404538178 902998885 /nfs/dbraw/zinc/99/88/85/902998885.db2.gz SUYRMYMLTBDPPN-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404538178 902998892 /nfs/dbraw/zinc/99/88/92/902998892.db2.gz SUYRMYMLTBDPPN-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001404538183 902999421 /nfs/dbraw/zinc/99/94/21/902999421.db2.gz SUYRMYMLTBDPPN-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001404538183 902999430 /nfs/dbraw/zinc/99/94/30/902999430.db2.gz SUYRMYMLTBDPPN-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404538183 902999443 /nfs/dbraw/zinc/99/94/43/902999443.db2.gz SUYRMYMLTBDPPN-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001404997861 903071587 /nfs/dbraw/zinc/07/15/87/903071587.db2.gz PUMNDZKOPGAEIM-RWMBFGLXSA-N 2 1 298.431 -0.006 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001404997861 903071604 /nfs/dbraw/zinc/07/16/04/903071604.db2.gz PUMNDZKOPGAEIM-RWMBFGLXSA-N 2 1 298.431 -0.006 20 0 CBADMP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001405119414 903090361 /nfs/dbraw/zinc/09/03/61/903090361.db2.gz ILKKEQQNYKTQDG-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001405119414 903090375 /nfs/dbraw/zinc/09/03/75/903090375.db2.gz ILKKEQQNYKTQDG-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001405119414 903090389 /nfs/dbraw/zinc/09/03/89/903090389.db2.gz ILKKEQQNYKTQDG-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001405119414 903090402 /nfs/dbraw/zinc/09/04/02/903090402.db2.gz ILKKEQQNYKTQDG-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405748861 903211068 /nfs/dbraw/zinc/21/10/68/903211068.db2.gz ZFYOLHCPYXKREW-CHWSQXEVSA-N 2 1 298.431 -0.194 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001405742162 903214674 /nfs/dbraw/zinc/21/46/74/903214674.db2.gz QOQDNJYCTRSYPX-CMPLNLGQSA-N 2 1 293.371 -0.578 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001405836117 903231819 /nfs/dbraw/zinc/23/18/19/903231819.db2.gz MFZMCCCQHCSJAE-ONGXEEELSA-N 2 1 281.360 -0.498 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001405871384 903241035 /nfs/dbraw/zinc/24/10/35/903241035.db2.gz ZBFDFZYXXXGCIU-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001405928109 903250032 /nfs/dbraw/zinc/25/00/32/903250032.db2.gz MCSBCYVUUSPWOM-FRRDWIJNSA-N 2 1 298.431 -0.068 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC)[NH+](C)C ZINC001406153559 903280963 /nfs/dbraw/zinc/28/09/63/903280963.db2.gz KPSHFCKIGAOOFW-NEPJUHHUSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC)[NH+](C)C ZINC001406153559 903280969 /nfs/dbraw/zinc/28/09/69/903280969.db2.gz KPSHFCKIGAOOFW-NEPJUHHUSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC)[NH+](C)C ZINC001406153562 903281075 /nfs/dbraw/zinc/28/10/75/903281075.db2.gz KPSHFCKIGAOOFW-NWDGAFQWSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC)[NH+](C)C ZINC001406153562 903281080 /nfs/dbraw/zinc/28/10/80/903281080.db2.gz KPSHFCKIGAOOFW-NWDGAFQWSA-N 2 1 286.420 -0.149 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001406251562 903326238 /nfs/dbraw/zinc/32/62/38/903326238.db2.gz AKMMSDRGVCQTTK-NSHDSACASA-N 2 1 270.333 -0.807 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001406297547 903347233 /nfs/dbraw/zinc/34/72/33/903347233.db2.gz FXVJYFHZKRJUFH-LBPRGKRZSA-N 2 1 295.387 -0.617 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001406297547 903347248 /nfs/dbraw/zinc/34/72/48/903347248.db2.gz FXVJYFHZKRJUFH-LBPRGKRZSA-N 2 1 295.387 -0.617 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001406310474 903350538 /nfs/dbraw/zinc/35/05/38/903350538.db2.gz UFHPJPHONLBNSS-CYBMUJFWSA-N 2 1 297.403 -0.673 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001406321299 903355936 /nfs/dbraw/zinc/35/59/36/903355936.db2.gz GMGUCKAUDXCYKL-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001406373011 903383154 /nfs/dbraw/zinc/38/31/54/903383154.db2.gz GXUYOWHHPOCKOC-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001406394330 903391190 /nfs/dbraw/zinc/39/11/90/903391190.db2.gz PQMFNGJWOYNJGK-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406409069 903393361 /nfs/dbraw/zinc/39/33/61/903393361.db2.gz JCRWVSJSHPFPGO-LLVKDONJSA-N 2 1 292.387 -0.495 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H](C)c1nnnn1C ZINC001406429062 903398552 /nfs/dbraw/zinc/39/85/52/903398552.db2.gz ZTEUVAOMFOAXOC-GHMZBOCLSA-N 2 1 297.407 -0.293 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H](C)c1nnnn1C ZINC001406429062 903398568 /nfs/dbraw/zinc/39/85/68/903398568.db2.gz ZTEUVAOMFOAXOC-GHMZBOCLSA-N 2 1 297.407 -0.293 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406429502 903399005 /nfs/dbraw/zinc/39/90/05/903399005.db2.gz HVXPBSLKSVYJOT-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)C1([NH+](C)C)CCC1 ZINC001406477970 903413442 /nfs/dbraw/zinc/41/34/42/903413442.db2.gz CGBXSSNYGWTMBG-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001406481944 903414814 /nfs/dbraw/zinc/41/48/14/903414814.db2.gz NGYAMTDDOYZFBU-AAEUAGOBSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001406510396 903421962 /nfs/dbraw/zinc/42/19/62/903421962.db2.gz DDFYNTYKQKGRNF-XQQFMLRXSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001406545035 903429219 /nfs/dbraw/zinc/42/92/19/903429219.db2.gz MOEYPUXRIKEVBG-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001406545035 903429229 /nfs/dbraw/zinc/42/92/29/903429229.db2.gz MOEYPUXRIKEVBG-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1nccn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406562030 903433024 /nfs/dbraw/zinc/43/30/24/903433024.db2.gz PEDVZXMVLOTRLU-RYUDHWBXSA-N 2 1 279.388 -0.034 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001406565394 903433032 /nfs/dbraw/zinc/43/30/32/903433032.db2.gz WXFGARSOXUOQLV-JTQLQIEISA-N 2 1 281.360 -0.626 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)CCC[NH+](C)C ZINC001406649559 903455871 /nfs/dbraw/zinc/45/58/71/903455871.db2.gz JWKOPXSOLGRWMY-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)CCC[NH+](C)C ZINC001406649559 903455876 /nfs/dbraw/zinc/45/58/76/903455876.db2.gz JWKOPXSOLGRWMY-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001406650613 903457484 /nfs/dbraw/zinc/45/74/84/903457484.db2.gz QDGJQJSEIDOGEP-AGIUHOORSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001406650613 903457490 /nfs/dbraw/zinc/45/74/90/903457490.db2.gz QDGJQJSEIDOGEP-AGIUHOORSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001406650613 903457499 /nfs/dbraw/zinc/45/74/99/903457499.db2.gz QDGJQJSEIDOGEP-AGIUHOORSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001406650613 903457506 /nfs/dbraw/zinc/45/75/06/903457506.db2.gz QDGJQJSEIDOGEP-AGIUHOORSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001406648783 903458525 /nfs/dbraw/zinc/45/85/25/903458525.db2.gz ARHDMNRNJYDMJO-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP CCN(C)C(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406697583 903464213 /nfs/dbraw/zinc/46/42/13/903464213.db2.gz HQEPPRHWPCIPQF-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001406697583 903464197 /nfs/dbraw/zinc/46/41/97/903464197.db2.gz HQEPPRHWPCIPQF-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001406697583 903464205 /nfs/dbraw/zinc/46/42/05/903464205.db2.gz HQEPPRHWPCIPQF-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406697583 903464222 /nfs/dbraw/zinc/46/42/22/903464222.db2.gz HQEPPRHWPCIPQF-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001406695897 903467452 /nfs/dbraw/zinc/46/74/52/903467452.db2.gz OROJLKAXPZGXSJ-VXGBXAGGSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001406695897 903467459 /nfs/dbraw/zinc/46/74/59/903467459.db2.gz OROJLKAXPZGXSJ-VXGBXAGGSA-N 2 1 286.420 -0.149 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001406713879 903469422 /nfs/dbraw/zinc/46/94/22/903469422.db2.gz YPIVYNLNJHEJSK-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001406713879 903469430 /nfs/dbraw/zinc/46/94/30/903469430.db2.gz YPIVYNLNJHEJSK-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCOC)C1 ZINC001406714367 903469733 /nfs/dbraw/zinc/46/97/33/903469733.db2.gz WMXDWFDFWPJMRZ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCOC)C1 ZINC001406714367 903469744 /nfs/dbraw/zinc/46/97/44/903469744.db2.gz WMXDWFDFWPJMRZ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCOC)C1 ZINC001406714367 903469755 /nfs/dbraw/zinc/46/97/55/903469755.db2.gz WMXDWFDFWPJMRZ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCOC)C1 ZINC001406714367 903469767 /nfs/dbraw/zinc/46/97/67/903469767.db2.gz WMXDWFDFWPJMRZ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001406795992 903478091 /nfs/dbraw/zinc/47/80/91/903478091.db2.gz WKKQKKYOLDFTHG-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001406812724 903482461 /nfs/dbraw/zinc/48/24/61/903482461.db2.gz DAAAXWPPLKSEHB-AAEUAGOBSA-N 2 1 298.431 -0.055 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001406960879 903517263 /nfs/dbraw/zinc/51/72/63/903517263.db2.gz QTXJIUXQZFKOOP-NWDGAFQWSA-N 2 1 294.399 -0.545 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001406986288 903526067 /nfs/dbraw/zinc/52/60/67/903526067.db2.gz HRUHYWOIIQKNHI-QWRGUYRKSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCF)CC2)C1 ZINC001406998719 903526840 /nfs/dbraw/zinc/52/68/40/903526840.db2.gz NDAHVAJHRVEVPK-NSHDSACASA-N 2 1 273.352 -0.085 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCF)CC2)C1 ZINC001406998719 903526855 /nfs/dbraw/zinc/52/68/55/903526855.db2.gz NDAHVAJHRVEVPK-NSHDSACASA-N 2 1 273.352 -0.085 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)CC1 ZINC001407369956 903582694 /nfs/dbraw/zinc/58/26/94/903582694.db2.gz UBIVZFNZUSDCRW-HNNXBMFYSA-N 2 1 299.415 -0.736 20 0 CBADMP CO[C@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001407378657 903587463 /nfs/dbraw/zinc/58/74/63/903587463.db2.gz DLWHLSILLBJXFN-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)[NH+](C)C ZINC001407393051 903592651 /nfs/dbraw/zinc/59/26/51/903592651.db2.gz RSASDRVJVZIADP-JSGCOSHPSA-N 2 1 287.404 -0.882 20 0 CBADMP C[C@H](O)CN1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001407421939 903601987 /nfs/dbraw/zinc/60/19/87/903601987.db2.gz ZDBCTCMXPCNSQV-NWDGAFQWSA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@H](O)CN1CC(O)(CNC(=O)[C@H]2CCCCN2C)C1 ZINC001407421939 903601999 /nfs/dbraw/zinc/60/19/99/903601999.db2.gz ZDBCTCMXPCNSQV-NWDGAFQWSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](C)CCC(=O)NCC1(O)C[NH+](C[C@@H]2CCCOC2)C1 ZINC001407481179 903619446 /nfs/dbraw/zinc/61/94/46/903619446.db2.gz BADYCWLPOHWPFE-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(C)C)C2)C1 ZINC001407483686 903619574 /nfs/dbraw/zinc/61/95/74/903619574.db2.gz YPTQGHPAOVANHF-LBPRGKRZSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(C)C)C2)C1 ZINC001407483686 903619584 /nfs/dbraw/zinc/61/95/84/903619584.db2.gz YPTQGHPAOVANHF-LBPRGKRZSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001407534876 903623954 /nfs/dbraw/zinc/62/39/54/903623954.db2.gz IMQMZHWPLPELDX-NEPJUHHUSA-N 2 1 284.404 -0.502 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NC)C[C@@H]2C1 ZINC001407587631 903632736 /nfs/dbraw/zinc/63/27/36/903632736.db2.gz CIRAFHANZUQUBN-BETUJISGSA-N 2 1 296.415 -0.536 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2C1 ZINC001407587631 903632741 /nfs/dbraw/zinc/63/27/41/903632741.db2.gz CIRAFHANZUQUBN-BETUJISGSA-N 2 1 296.415 -0.536 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2C1 ZINC001407587631 903632745 /nfs/dbraw/zinc/63/27/45/903632745.db2.gz CIRAFHANZUQUBN-BETUJISGSA-N 2 1 296.415 -0.536 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001407754849 903656805 /nfs/dbraw/zinc/65/68/05/903656805.db2.gz DUVFWQWJQWHRHI-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001407860358 903668418 /nfs/dbraw/zinc/66/84/18/903668418.db2.gz OYXPFGWAUJNAEY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001407880343 903676270 /nfs/dbraw/zinc/67/62/70/903676270.db2.gz SJRFEPAQSJFIFL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001407880343 903676276 /nfs/dbraw/zinc/67/62/76/903676276.db2.gz SJRFEPAQSJFIFL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001407880343 903676282 /nfs/dbraw/zinc/67/62/82/903676282.db2.gz SJRFEPAQSJFIFL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001407883413 903677019 /nfs/dbraw/zinc/67/70/19/903677019.db2.gz YJPLCEHCZNXQBD-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001407883413 903677026 /nfs/dbraw/zinc/67/70/26/903677026.db2.gz YJPLCEHCZNXQBD-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001407883413 903677033 /nfs/dbraw/zinc/67/70/33/903677033.db2.gz YJPLCEHCZNXQBD-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001407901974 903679318 /nfs/dbraw/zinc/67/93/18/903679318.db2.gz FJUBROCNSGCTMB-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001407901974 903679332 /nfs/dbraw/zinc/67/93/32/903679332.db2.gz FJUBROCNSGCTMB-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001407901974 903679343 /nfs/dbraw/zinc/67/93/43/903679343.db2.gz FJUBROCNSGCTMB-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+][C@H]1CCNC1=O ZINC001408220751 903733087 /nfs/dbraw/zinc/73/30/87/903733087.db2.gz NEXCIQAECCSUMX-SDDRHHMPSA-N 2 1 282.388 -0.547 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC2(CO)CC[NH+](CCF)CC2)C1 ZINC001408282916 903743254 /nfs/dbraw/zinc/74/32/54/903743254.db2.gz LUKBOPPFZFUOIN-GFCCVEGCSA-N 2 1 287.379 -0.149 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2(CO)CC[NH+](CCF)CC2)C1 ZINC001408282916 903743263 /nfs/dbraw/zinc/74/32/63/903743263.db2.gz LUKBOPPFZFUOIN-GFCCVEGCSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH+](C)CC(N)=O)C1 ZINC001408357410 903757114 /nfs/dbraw/zinc/75/71/14/903757114.db2.gz PXCDUBKMRSUVKF-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2C[NH+](C)CC(N)=O)C1 ZINC001408357410 903757123 /nfs/dbraw/zinc/75/71/23/903757123.db2.gz PXCDUBKMRSUVKF-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]2C[N@H+](C)CC(N)=O)C1 ZINC001408357410 903757131 /nfs/dbraw/zinc/75/71/31/903757131.db2.gz PXCDUBKMRSUVKF-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC(N)=O)C1 ZINC001408357410 903757144 /nfs/dbraw/zinc/75/71/44/903757144.db2.gz PXCDUBKMRSUVKF-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001408595261 903790268 /nfs/dbraw/zinc/79/02/68/903790268.db2.gz SPTKNHSSLCPHNL-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001408595261 903790276 /nfs/dbraw/zinc/79/02/76/903790276.db2.gz SPTKNHSSLCPHNL-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001408595261 903790291 /nfs/dbraw/zinc/79/02/91/903790291.db2.gz SPTKNHSSLCPHNL-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC(NC(=O)CC[N@H+](C)CC)C1 ZINC001409108400 903851331 /nfs/dbraw/zinc/85/13/31/903851331.db2.gz QCTPAMKORUOLEA-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001409274303 903874633 /nfs/dbraw/zinc/87/46/33/903874633.db2.gz GZFQRIUPRJPLLK-HIFPTAJRSA-N 2 1 296.415 -0.441 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001409519523 903912033 /nfs/dbraw/zinc/91/20/33/903912033.db2.gz QPDHUXNCQZDQOF-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001409519523 903912046 /nfs/dbraw/zinc/91/20/46/903912046.db2.gz QPDHUXNCQZDQOF-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001409519523 903912053 /nfs/dbraw/zinc/91/20/53/903912053.db2.gz QPDHUXNCQZDQOF-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001409519523 903912069 /nfs/dbraw/zinc/91/20/69/903912069.db2.gz QPDHUXNCQZDQOF-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001409507420 903912571 /nfs/dbraw/zinc/91/25/71/903912571.db2.gz KNCNDMFJIUWRFB-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001409507420 903912580 /nfs/dbraw/zinc/91/25/80/903912580.db2.gz KNCNDMFJIUWRFB-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001409507420 903912588 /nfs/dbraw/zinc/91/25/88/903912588.db2.gz KNCNDMFJIUWRFB-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001409507420 903912595 /nfs/dbraw/zinc/91/25/95/903912595.db2.gz KNCNDMFJIUWRFB-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001409651345 903950786 /nfs/dbraw/zinc/95/07/86/903950786.db2.gz SGCYWWVVFSXWLY-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001409651345 903950796 /nfs/dbraw/zinc/95/07/96/903950796.db2.gz SGCYWWVVFSXWLY-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP COC[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001409695026 903961167 /nfs/dbraw/zinc/96/11/67/903961167.db2.gz XTNIRVDFKIGGAL-AAEUAGOBSA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001409695026 903961180 /nfs/dbraw/zinc/96/11/80/903961180.db2.gz XTNIRVDFKIGGAL-AAEUAGOBSA-N 2 1 298.387 -0.365 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001409958810 903988467 /nfs/dbraw/zinc/98/84/67/903988467.db2.gz AZXJXKMMEVUIKC-YPMHNXCESA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001409958810 903988474 /nfs/dbraw/zinc/98/84/74/903988474.db2.gz AZXJXKMMEVUIKC-YPMHNXCESA-N 2 1 296.415 -0.348 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC001410256895 904051841 /nfs/dbraw/zinc/05/18/41/904051841.db2.gz ZRTXQGFULJOWNR-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC001410256895 904051855 /nfs/dbraw/zinc/05/18/55/904051855.db2.gz ZRTXQGFULJOWNR-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC001410256895 904051863 /nfs/dbraw/zinc/05/18/63/904051863.db2.gz ZRTXQGFULJOWNR-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410336858 904069880 /nfs/dbraw/zinc/06/98/80/904069880.db2.gz WGGGLHCKHOEXRM-QWHCGFSZSA-N 2 1 296.415 -0.489 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410478848 904104776 /nfs/dbraw/zinc/10/47/76/904104776.db2.gz ATONQEJTTINSPH-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001410478465 904104874 /nfs/dbraw/zinc/10/48/74/904104874.db2.gz ULAHTFBXOFMDQM-LLVKDONJSA-N 2 1 297.407 -0.512 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001410478465 904104880 /nfs/dbraw/zinc/10/48/80/904104880.db2.gz ULAHTFBXOFMDQM-LLVKDONJSA-N 2 1 297.407 -0.512 20 0 CBADMP C[C@H](CN(C)C(=O)CC[NH+]1CCOCC1)[NH2+]C[C@H](C)O ZINC001410565794 904128853 /nfs/dbraw/zinc/12/88/53/904128853.db2.gz HJHGHIAANWVBIL-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H]1C ZINC001410868213 904199017 /nfs/dbraw/zinc/19/90/17/904199017.db2.gz VPAOZYIHYXTZFA-MNOVXSKESA-N 2 1 270.377 -0.609 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001410868225 904199161 /nfs/dbraw/zinc/19/91/61/904199161.db2.gz VPAOZYIHYXTZFA-WDEREUQCSA-N 2 1 270.377 -0.609 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001410920380 904204975 /nfs/dbraw/zinc/20/49/75/904204975.db2.gz YIVZFZSCMHTVHB-IUODEOHRSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC001410939680 904205742 /nfs/dbraw/zinc/20/57/42/904205742.db2.gz NSJXJRAJBFTGPD-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP CN(C[C@H](O)C[NH2+]CC1CCC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001411012473 904221630 /nfs/dbraw/zinc/22/16/30/904221630.db2.gz QYLJFXRHVYVKJM-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP CN(C[C@H](O)C[NH2+]CC1CCC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001411012473 904221636 /nfs/dbraw/zinc/22/16/36/904221636.db2.gz QYLJFXRHVYVKJM-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCO)CC[N@H+]1C ZINC001411171585 904250463 /nfs/dbraw/zinc/25/04/63/904250463.db2.gz RFZUTKSALTVDKZ-FRRDWIJNSA-N 2 1 287.404 -0.930 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)CC[NH+]1C ZINC001411171585 904250479 /nfs/dbraw/zinc/25/04/79/904250479.db2.gz RFZUTKSALTVDKZ-FRRDWIJNSA-N 2 1 287.404 -0.930 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)CC[NH+]1C ZINC001411171585 904250494 /nfs/dbraw/zinc/25/04/94/904250494.db2.gz RFZUTKSALTVDKZ-FRRDWIJNSA-N 2 1 287.404 -0.930 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001411218530 904260926 /nfs/dbraw/zinc/26/09/26/904260926.db2.gz PYDKQCIJSQNRHT-NEPJUHHUSA-N 2 1 298.431 -0.066 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001411218535 904263722 /nfs/dbraw/zinc/26/37/22/904263722.db2.gz PYDKQCIJSQNRHT-VXGBXAGGSA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@H]1NC(=O)N(CC[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1=O ZINC001460602143 914800141 /nfs/dbraw/zinc/80/01/41/914800141.db2.gz FMQNVVUENKPVKH-UTUOFQBUSA-N 2 1 280.372 -0.190 20 0 CBADMP C[C@H]1NC(=O)N(CC[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1=O ZINC001460602143 914800155 /nfs/dbraw/zinc/80/01/55/914800155.db2.gz FMQNVVUENKPVKH-UTUOFQBUSA-N 2 1 280.372 -0.190 20 0 CBADMP C[C@H]1NC(=O)N(CC[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1=O ZINC001460602143 914800177 /nfs/dbraw/zinc/80/01/77/914800177.db2.gz FMQNVVUENKPVKH-UTUOFQBUSA-N 2 1 280.372 -0.190 20 0 CBADMP C[NH+]1CCN(CCNC(=O)CC[N@H+]2CC[C@H](F)C2)CC1 ZINC001411619116 904325446 /nfs/dbraw/zinc/32/54/46/904325446.db2.gz QKGMBNJHZHFEEA-ZDUSSCGKSA-N 2 1 286.395 -0.216 20 0 CBADMP CNC(=O)C1([NH2+]CCc2c[nH+]cn2C)CCOCC1 ZINC001460786214 914820057 /nfs/dbraw/zinc/82/00/57/914820057.db2.gz FGJQMSRTUUGLDS-UHFFFAOYSA-N 2 1 266.345 -0.153 20 0 CBADMP CC[N@@H+](C)[C@@H]1CCN(C[C@H](O)C[NH+](C)CCOC)C1 ZINC001460993530 914846335 /nfs/dbraw/zinc/84/63/35/914846335.db2.gz TXQJKEUROUCWTO-ZIAGYGMSSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+](C)[C@@H]1CCN(C[C@H](O)C[N@H+](C)CCOC)C1 ZINC001460993530 914846343 /nfs/dbraw/zinc/84/63/43/914846343.db2.gz TXQJKEUROUCWTO-ZIAGYGMSSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+](C)[C@@H]1CCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC001460993530 914846359 /nfs/dbraw/zinc/84/63/59/914846359.db2.gz TXQJKEUROUCWTO-ZIAGYGMSSA-N 2 1 273.421 -0.049 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC001412995177 904851242 /nfs/dbraw/zinc/85/12/42/904851242.db2.gz LCAHOJLSLWRLNU-JSGCOSHPSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC001412995177 904851256 /nfs/dbraw/zinc/85/12/56/904851256.db2.gz LCAHOJLSLWRLNU-JSGCOSHPSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001412995177 904851266 /nfs/dbraw/zinc/85/12/66/904851266.db2.gz LCAHOJLSLWRLNU-JSGCOSHPSA-N 2 1 271.405 -0.560 20 0 CBADMP COC(=O)[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CC[NH+](C)C1 ZINC001413004280 904860097 /nfs/dbraw/zinc/86/00/97/904860097.db2.gz APQFDUJFLMMJTC-JSGCOSHPSA-N 2 1 299.415 -0.522 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001414543073 905442796 /nfs/dbraw/zinc/44/27/96/905442796.db2.gz YCPSYRQPCBLKLK-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)CC[NH+](C)C)C1 ZINC001415616603 905649390 /nfs/dbraw/zinc/64/93/90/905649390.db2.gz YJSYWLJATLFIRV-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001416029084 905693887 /nfs/dbraw/zinc/69/38/87/905693887.db2.gz HIENBVLMFZCLIT-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)[NH+](C)C ZINC001416029106 905693976 /nfs/dbraw/zinc/69/39/76/905693976.db2.gz HSWHIDUDWMERLC-YPMHNXCESA-N 2 1 296.415 -0.395 20 0 CBADMP CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)[NH+](C)C ZINC001416029105 905694352 /nfs/dbraw/zinc/69/43/52/905694352.db2.gz HSWHIDUDWMERLC-AAEUAGOBSA-N 2 1 296.415 -0.395 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001416029083 905695011 /nfs/dbraw/zinc/69/50/11/905695011.db2.gz HIENBVLMFZCLIT-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001417245712 905882513 /nfs/dbraw/zinc/88/25/13/905882513.db2.gz PNJQOGFTVYHDBI-ZDUSSCGKSA-N 2 1 296.415 -0.299 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001417778208 906049846 /nfs/dbraw/zinc/04/98/46/906049846.db2.gz PFRWEZMRVRSJHX-ZMLRMANQSA-N 2 1 293.371 -0.450 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001417779168 906051243 /nfs/dbraw/zinc/05/12/43/906051243.db2.gz UDSMDZVULGMFHV-UPJWGTAASA-N 2 1 296.415 -0.441 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001417913536 906100504 /nfs/dbraw/zinc/10/05/04/906100504.db2.gz PNBONKQKYKXIDA-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001417913536 906100512 /nfs/dbraw/zinc/10/05/12/906100512.db2.gz PNBONKQKYKXIDA-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001417913535 906102029 /nfs/dbraw/zinc/10/20/29/906102029.db2.gz PNBONKQKYKXIDA-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001417913535 906102054 /nfs/dbraw/zinc/10/20/54/906102054.db2.gz PNBONKQKYKXIDA-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001417947065 906120000 /nfs/dbraw/zinc/12/00/00/906120000.db2.gz DZRPCXTVWMABFM-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001417947065 906120012 /nfs/dbraw/zinc/12/00/12/906120012.db2.gz DZRPCXTVWMABFM-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001417947065 906120017 /nfs/dbraw/zinc/12/00/17/906120017.db2.gz DZRPCXTVWMABFM-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001417947065 906120026 /nfs/dbraw/zinc/12/00/26/906120026.db2.gz DZRPCXTVWMABFM-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001418007900 906134428 /nfs/dbraw/zinc/13/44/28/906134428.db2.gz BXGZWFFUCJGOAQ-ZYHUDNBSSA-N 2 1 282.388 -0.702 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001418043550 906145838 /nfs/dbraw/zinc/14/58/38/906145838.db2.gz CEYUXYQPDXCLSA-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001418076143 906160106 /nfs/dbraw/zinc/16/01/06/906160106.db2.gz ZQUVMHZUEWQULK-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001418208938 906207629 /nfs/dbraw/zinc/20/76/29/906207629.db2.gz DZPSVUHUSRWVBL-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1nncn1C ZINC001418266800 906246361 /nfs/dbraw/zinc/24/63/61/906246361.db2.gz CCKUHKWPZSLIML-LLVKDONJSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+][C@H]1CCNC1=O ZINC001418272459 906251666 /nfs/dbraw/zinc/25/16/66/906251666.db2.gz CFSJXMZHMHVDPF-RYUDHWBXSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001418284547 906259998 /nfs/dbraw/zinc/25/99/98/906259998.db2.gz OJJSNJFBCDJDDN-WDEREUQCSA-N 2 1 295.387 -0.025 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001418315703 906280460 /nfs/dbraw/zinc/28/04/60/906280460.db2.gz JWVWEKNPZOBSJS-WDEREUQCSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001418315703 906280476 /nfs/dbraw/zinc/28/04/76/906280476.db2.gz JWVWEKNPZOBSJS-WDEREUQCSA-N 2 1 280.376 -0.639 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001418317376 906280932 /nfs/dbraw/zinc/28/09/32/906280932.db2.gz NAHHPXMNJWUDNG-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001418315694 906280994 /nfs/dbraw/zinc/28/09/94/906280994.db2.gz JWVWEKNPZOBSJS-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001418315694 906281009 /nfs/dbraw/zinc/28/10/09/906281009.db2.gz JWVWEKNPZOBSJS-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001418357066 906294006 /nfs/dbraw/zinc/29/40/06/906294006.db2.gz NHRMPNUBNKOMPG-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](O)CCC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001418449549 906330793 /nfs/dbraw/zinc/33/07/93/906330793.db2.gz XMXMUKYXMAYQCM-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)CCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001418449549 906330808 /nfs/dbraw/zinc/33/08/08/906330808.db2.gz XMXMUKYXMAYQCM-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)CCC[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001418449549 906330816 /nfs/dbraw/zinc/33/08/16/906330816.db2.gz XMXMUKYXMAYQCM-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)CCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001418449549 906330826 /nfs/dbraw/zinc/33/08/26/906330826.db2.gz XMXMUKYXMAYQCM-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](C(N)=O)N(C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001418471966 906352629 /nfs/dbraw/zinc/35/26/29/906352629.db2.gz XEJZOYBURRURAH-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001418471966 906352644 /nfs/dbraw/zinc/35/26/44/906352644.db2.gz XEJZOYBURRURAH-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001418471966 906352653 /nfs/dbraw/zinc/35/26/53/906352653.db2.gz XEJZOYBURRURAH-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001418471966 906352667 /nfs/dbraw/zinc/35/26/67/906352667.db2.gz XEJZOYBURRURAH-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001418471966 906352679 /nfs/dbraw/zinc/35/26/79/906352679.db2.gz XEJZOYBURRURAH-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001418519825 906382112 /nfs/dbraw/zinc/38/21/12/906382112.db2.gz OGEOBNMFEXKEEM-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001418519825 906382127 /nfs/dbraw/zinc/38/21/27/906382127.db2.gz OGEOBNMFEXKEEM-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001418519825 906382145 /nfs/dbraw/zinc/38/21/45/906382145.db2.gz OGEOBNMFEXKEEM-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418519825 906382162 /nfs/dbraw/zinc/38/21/62/906382162.db2.gz OGEOBNMFEXKEEM-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CN1CCC[C@@H]([N@H+](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001418519923 906383530 /nfs/dbraw/zinc/38/35/30/906383530.db2.gz OWRSGFCLGQDORL-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CN1CCC[C@@H]([N@@H+](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001418519923 906383549 /nfs/dbraw/zinc/38/35/49/906383549.db2.gz OWRSGFCLGQDORL-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C[C@H](C)O)C1 ZINC001418524401 906391852 /nfs/dbraw/zinc/39/18/52/906391852.db2.gz KPCLLZBVQANNSR-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C[C@H](C)O)C1 ZINC001418524401 906391866 /nfs/dbraw/zinc/39/18/66/906391866.db2.gz KPCLLZBVQANNSR-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)C[C@H](C)O)C1 ZINC001418524401 906391881 /nfs/dbraw/zinc/39/18/81/906391881.db2.gz KPCLLZBVQANNSR-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)C[C@H](C)O)C1 ZINC001418524401 906391897 /nfs/dbraw/zinc/39/18/97/906391897.db2.gz KPCLLZBVQANNSR-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CC(N)=O)CC[N@@H+]1C ZINC001418546524 906406347 /nfs/dbraw/zinc/40/63/47/906406347.db2.gz GOMNVOPZUZLQDD-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CC(N)=O)CC[N@H+]1C ZINC001418546524 906406355 /nfs/dbraw/zinc/40/63/55/906406355.db2.gz GOMNVOPZUZLQDD-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](CC)CC(N)=O)CC[NH+]1C ZINC001418546524 906406365 /nfs/dbraw/zinc/40/63/65/906406365.db2.gz GOMNVOPZUZLQDD-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](CC)CC(N)=O)CC[NH+]1C ZINC001418546524 906406373 /nfs/dbraw/zinc/40/63/73/906406373.db2.gz GOMNVOPZUZLQDD-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001418633438 906432003 /nfs/dbraw/zinc/43/20/03/906432003.db2.gz WYBKTVCOBCTCMU-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001418633438 906432014 /nfs/dbraw/zinc/43/20/14/906432014.db2.gz WYBKTVCOBCTCMU-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001418633439 906432875 /nfs/dbraw/zinc/43/28/75/906432875.db2.gz WYBKTVCOBCTCMU-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001418633439 906432881 /nfs/dbraw/zinc/43/28/81/906432881.db2.gz WYBKTVCOBCTCMU-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001418658448 906436556 /nfs/dbraw/zinc/43/65/56/906436556.db2.gz MQOUAQPHVCOJBK-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001418658448 906436567 /nfs/dbraw/zinc/43/65/67/906436567.db2.gz MQOUAQPHVCOJBK-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001418658448 906436573 /nfs/dbraw/zinc/43/65/73/906436573.db2.gz MQOUAQPHVCOJBK-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001418681522 906447390 /nfs/dbraw/zinc/44/73/90/906447390.db2.gz IZFJZDXZQPANRP-CYBMUJFWSA-N 2 1 285.388 -0.861 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CC[N@H+](CCO)C1 ZINC001418681522 906447402 /nfs/dbraw/zinc/44/74/02/906447402.db2.gz IZFJZDXZQPANRP-CYBMUJFWSA-N 2 1 285.388 -0.861 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001418691394 906449376 /nfs/dbraw/zinc/44/93/76/906449376.db2.gz ALIDVPVBSPUORG-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001418704560 906454196 /nfs/dbraw/zinc/45/41/96/906454196.db2.gz CMTUPHCMXPKOPS-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001418817103 906485368 /nfs/dbraw/zinc/48/53/68/906485368.db2.gz QZAZVZKHTNVGCC-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC ZINC001418833354 906489759 /nfs/dbraw/zinc/48/97/59/906489759.db2.gz UPGWTKRRKSIKSO-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001418888744 906505756 /nfs/dbraw/zinc/50/57/56/906505756.db2.gz PAFQVZAMCQTSFA-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001418888744 906505780 /nfs/dbraw/zinc/50/57/80/906505780.db2.gz PAFQVZAMCQTSFA-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001418888744 906505792 /nfs/dbraw/zinc/50/57/92/906505792.db2.gz PAFQVZAMCQTSFA-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001418942360 906522300 /nfs/dbraw/zinc/52/23/00/906522300.db2.gz LSCPNNKEHIBXQU-LBPRGKRZSA-N 2 1 282.388 -0.652 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001418958746 906526603 /nfs/dbraw/zinc/52/66/03/906526603.db2.gz YGHOIEUUCPIGPB-ZDUSSCGKSA-N 2 1 285.388 -0.718 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[N@H+](CCO)C1 ZINC001418958746 906526622 /nfs/dbraw/zinc/52/66/22/906526622.db2.gz YGHOIEUUCPIGPB-ZDUSSCGKSA-N 2 1 285.388 -0.718 20 0 CBADMP C[C@H](O)CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001419013316 906560840 /nfs/dbraw/zinc/56/08/40/906560840.db2.gz DCAFRLAHSQSSRO-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](O)CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001419013316 906560849 /nfs/dbraw/zinc/56/08/49/906560849.db2.gz DCAFRLAHSQSSRO-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001419019924 906564329 /nfs/dbraw/zinc/56/43/29/906564329.db2.gz BBDBHDHZLAXODB-ZDUSSCGKSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001419019924 906564338 /nfs/dbraw/zinc/56/43/38/906564338.db2.gz BBDBHDHZLAXODB-ZDUSSCGKSA-N 2 1 296.415 -0.217 20 0 CBADMP CCCNC(=O)CN1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001419037085 906568802 /nfs/dbraw/zinc/56/88/02/906568802.db2.gz DCCAWBHDPWUDRU-ZDUSSCGKSA-N 2 1 296.415 -0.488 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001419062330 906582746 /nfs/dbraw/zinc/58/27/46/906582746.db2.gz BHXCBUMBVUMLIY-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001419062330 906582755 /nfs/dbraw/zinc/58/27/55/906582755.db2.gz BHXCBUMBVUMLIY-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001419091743 906591296 /nfs/dbraw/zinc/59/12/96/906591296.db2.gz ZKWLGHMBQHDGGG-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001419091743 906591302 /nfs/dbraw/zinc/59/13/02/906591302.db2.gz ZKWLGHMBQHDGGG-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001419093587 906596680 /nfs/dbraw/zinc/59/66/80/906596680.db2.gz AAULJXBBWQBADX-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001419093587 906596704 /nfs/dbraw/zinc/59/67/04/906596704.db2.gz AAULJXBBWQBADX-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001419093587 906596724 /nfs/dbraw/zinc/59/67/24/906596724.db2.gz AAULJXBBWQBADX-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001419093587 906596741 /nfs/dbraw/zinc/59/67/41/906596741.db2.gz AAULJXBBWQBADX-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001419135117 906606782 /nfs/dbraw/zinc/60/67/82/906606782.db2.gz FVQYTSOZTCVWKS-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001419135117 906606790 /nfs/dbraw/zinc/60/67/90/906606790.db2.gz FVQYTSOZTCVWKS-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001419135117 906606797 /nfs/dbraw/zinc/60/67/97/906606797.db2.gz FVQYTSOZTCVWKS-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001419135117 906606803 /nfs/dbraw/zinc/60/68/03/906606803.db2.gz FVQYTSOZTCVWKS-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001419143537 906613775 /nfs/dbraw/zinc/61/37/75/906613775.db2.gz WTDLTQPUVJAVJT-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001419143537 906613783 /nfs/dbraw/zinc/61/37/83/906613783.db2.gz WTDLTQPUVJAVJT-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001419143537 906613788 /nfs/dbraw/zinc/61/37/88/906613788.db2.gz WTDLTQPUVJAVJT-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001419143537 906613797 /nfs/dbraw/zinc/61/37/97/906613797.db2.gz WTDLTQPUVJAVJT-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001419143535 906613935 /nfs/dbraw/zinc/61/39/35/906613935.db2.gz WTDLTQPUVJAVJT-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001419143535 906613942 /nfs/dbraw/zinc/61/39/42/906613942.db2.gz WTDLTQPUVJAVJT-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001419143535 906613948 /nfs/dbraw/zinc/61/39/48/906613948.db2.gz WTDLTQPUVJAVJT-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001419143535 906613955 /nfs/dbraw/zinc/61/39/55/906613955.db2.gz WTDLTQPUVJAVJT-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001419149455 906616839 /nfs/dbraw/zinc/61/68/39/906616839.db2.gz SIPLIQMIUAGPSX-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001419149455 906616847 /nfs/dbraw/zinc/61/68/47/906616847.db2.gz SIPLIQMIUAGPSX-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001419176134 906628304 /nfs/dbraw/zinc/62/83/04/906628304.db2.gz HWGFUSUQFZFMIM-DGCLKSJQSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001419176137 906628454 /nfs/dbraw/zinc/62/84/54/906628454.db2.gz HWGFUSUQFZFMIM-WCQYABFASA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+][C@H](CC)C(N)=O ZINC001419218983 906641888 /nfs/dbraw/zinc/64/18/88/906641888.db2.gz ORBMNHWXKZUJDU-VXGBXAGGSA-N 2 1 295.387 -0.060 20 0 CBADMP Cn1ncnc1C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001419282092 906654983 /nfs/dbraw/zinc/65/49/83/906654983.db2.gz KAQCSDMVGZISFM-GFCCVEGCSA-N 2 1 294.403 -0.249 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001419412193 906682854 /nfs/dbraw/zinc/68/28/54/906682854.db2.gz JQIFXXMFYXUROK-RNJOBUHISA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]CC(=O)N(C)C ZINC001419490149 906704296 /nfs/dbraw/zinc/70/42/96/906704296.db2.gz YFRGUXYMZGWPEW-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ncnn1C ZINC001419517481 906710558 /nfs/dbraw/zinc/71/05/58/906710558.db2.gz WKPTXCDITYCLDT-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001419516839 906710614 /nfs/dbraw/zinc/71/06/14/906710614.db2.gz WLTADIXUFQGGIT-STQMWFEESA-N 2 1 298.431 -0.194 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ncnn1C ZINC001419517477 906711800 /nfs/dbraw/zinc/71/18/00/906711800.db2.gz WKPTXCDITYCLDT-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001419538295 906715832 /nfs/dbraw/zinc/71/58/32/906715832.db2.gz FPFORSKQNGXTHZ-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001419532216 906716692 /nfs/dbraw/zinc/71/66/92/906716692.db2.gz AWHUNINTRGNQGV-ZJUUUORDSA-N 2 1 281.360 -0.593 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001419572057 906730912 /nfs/dbraw/zinc/73/09/12/906730912.db2.gz WNFPRYNWIOULPJ-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001419572057 906730922 /nfs/dbraw/zinc/73/09/22/906730922.db2.gz WNFPRYNWIOULPJ-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001419617798 906743844 /nfs/dbraw/zinc/74/38/44/906743844.db2.gz AXNAZWRXTVKKOY-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001419676077 906764708 /nfs/dbraw/zinc/76/47/08/906764708.db2.gz PRZLQUOGJYSZSW-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001419712067 906779564 /nfs/dbraw/zinc/77/95/64/906779564.db2.gz DZBUDGIOBBRKPS-NEPJUHHUSA-N 2 1 280.376 -0.533 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001419717129 906781033 /nfs/dbraw/zinc/78/10/33/906781033.db2.gz VZJSNKNKLZSDRT-ZYHUDNBSSA-N 2 1 280.376 -0.496 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419749318 906801308 /nfs/dbraw/zinc/80/13/08/906801308.db2.gz RVKCKJXEQIWBMM-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419749308 906804338 /nfs/dbraw/zinc/80/43/38/906804338.db2.gz RVKCKJXEQIWBMM-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1nnnn1C ZINC001419772152 906811957 /nfs/dbraw/zinc/81/19/57/906811957.db2.gz JWNRURUMNWVULW-SNVBAGLBSA-N 2 1 295.391 -0.711 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001419913400 906854485 /nfs/dbraw/zinc/85/44/85/906854485.db2.gz LSLQAEIOFFWJIH-GHMZBOCLSA-N 2 1 270.377 -0.704 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001419962278 906876032 /nfs/dbraw/zinc/87/60/32/906876032.db2.gz IQDLCURUSQISKD-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1)[NH+](C)C ZINC001420141076 906964408 /nfs/dbraw/zinc/96/44/08/906964408.db2.gz FWGIYAYVLYHLRE-NWDGAFQWSA-N 2 1 299.375 -0.778 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001420161611 906978652 /nfs/dbraw/zinc/97/86/52/906978652.db2.gz COMJJKMPPBNISA-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001420165380 906979990 /nfs/dbraw/zinc/97/99/90/906979990.db2.gz BFXJNEVSSUZXSQ-QWHCGFSZSA-N 2 1 295.387 -0.919 20 0 CBADMP Cc1oncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001420165399 906981239 /nfs/dbraw/zinc/98/12/39/906981239.db2.gz BMTIEOWIFIAXGJ-CHWSQXEVSA-N 2 1 296.371 -0.356 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC2CCC2)C1 ZINC001420208013 907020162 /nfs/dbraw/zinc/02/01/62/907020162.db2.gz BDHQFVQFSLSXKY-ZIAGYGMSSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC2CCC2)C1 ZINC001420208013 907020182 /nfs/dbraw/zinc/02/01/82/907020182.db2.gz BDHQFVQFSLSXKY-ZIAGYGMSSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001420313815 907088482 /nfs/dbraw/zinc/08/84/82/907088482.db2.gz PCBXNAONWUEWPR-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001420313815 907088502 /nfs/dbraw/zinc/08/85/02/907088502.db2.gz PCBXNAONWUEWPR-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+][C@@H](C)c1nncn1C)NC(=O)CC[NH+](C)C ZINC001420337245 907107346 /nfs/dbraw/zinc/10/73/46/907107346.db2.gz ICBFVKJPKHVNHA-MNOVXSKESA-N 2 1 282.392 -0.078 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420335980 907107496 /nfs/dbraw/zinc/10/74/96/907107496.db2.gz XPWSGKKLMXYKFV-LLVKDONJSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC(=O)NC ZINC001420426390 907155833 /nfs/dbraw/zinc/15/58/33/907155833.db2.gz FPWODQXSUDCYOB-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC(=O)NC ZINC001420426390 907155838 /nfs/dbraw/zinc/15/58/38/907155838.db2.gz FPWODQXSUDCYOB-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC(=O)NC ZINC001420426390 907155842 /nfs/dbraw/zinc/15/58/42/907155842.db2.gz FPWODQXSUDCYOB-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC(=O)NC ZINC001420426390 907155849 /nfs/dbraw/zinc/15/58/49/907155849.db2.gz FPWODQXSUDCYOB-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001420499410 907184405 /nfs/dbraw/zinc/18/44/05/907184405.db2.gz GHWWHGCJESRXPS-WDEREUQCSA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@@H](C[N@@H+](C)CCn1cncn1)NC(=O)[C@H]1CCC[NH+]1C ZINC001420539498 907205956 /nfs/dbraw/zinc/20/59/56/907205956.db2.gz NCIKCDUYKSJMFM-QWHCGFSZSA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@@H](C[NH+](C)CCn1cncn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001420539498 907205973 /nfs/dbraw/zinc/20/59/73/907205973.db2.gz NCIKCDUYKSJMFM-QWHCGFSZSA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@@H](C[NH+](C)CCn1cncn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001420539498 907205990 /nfs/dbraw/zinc/20/59/90/907205990.db2.gz NCIKCDUYKSJMFM-QWHCGFSZSA-N 2 1 294.403 -0.191 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420614494 907240063 /nfs/dbraw/zinc/24/00/63/907240063.db2.gz QOQUOYDWIZRGJY-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420614494 907240085 /nfs/dbraw/zinc/24/00/85/907240085.db2.gz QOQUOYDWIZRGJY-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCN(CC(N)=O)C2CC2)CC[N@H+]1C ZINC001420667626 907260878 /nfs/dbraw/zinc/26/08/78/907260878.db2.gz WOTIAVJXQRAYSG-ZYHUDNBSSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(N)=O)C2CC2)CC[N@@H+]1C ZINC001420667626 907260894 /nfs/dbraw/zinc/26/08/94/907260894.db2.gz WOTIAVJXQRAYSG-ZYHUDNBSSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(N)=O)C2CC2)CC[N@H+]1C ZINC001420667626 907260907 /nfs/dbraw/zinc/26/09/07/907260907.db2.gz WOTIAVJXQRAYSG-ZYHUDNBSSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CC(N)=O)C2CC2)CC[NH+]1C ZINC001420667626 907260921 /nfs/dbraw/zinc/26/09/21/907260921.db2.gz WOTIAVJXQRAYSG-ZYHUDNBSSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CC(N)=O)C2CC2)CC[NH+]1C ZINC001420667626 907260938 /nfs/dbraw/zinc/26/09/38/907260938.db2.gz WOTIAVJXQRAYSG-ZYHUDNBSSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H](C(N)=O)N(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001420663876 907261490 /nfs/dbraw/zinc/26/14/90/907261490.db2.gz MEKVOFHZBZLTDX-NTZNESFSSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001420663876 907261497 /nfs/dbraw/zinc/26/14/97/907261497.db2.gz MEKVOFHZBZLTDX-NTZNESFSSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001420663876 907261508 /nfs/dbraw/zinc/26/15/08/907261508.db2.gz MEKVOFHZBZLTDX-NTZNESFSSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001420663876 907261514 /nfs/dbraw/zinc/26/15/14/907261514.db2.gz MEKVOFHZBZLTDX-NTZNESFSSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001420663876 907261528 /nfs/dbraw/zinc/26/15/28/907261528.db2.gz MEKVOFHZBZLTDX-NTZNESFSSA-N 2 1 296.415 -0.219 20 0 CBADMP Cn1ncc(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CC2)n1 ZINC001420763322 907292539 /nfs/dbraw/zinc/29/25/39/907292539.db2.gz TXFTXCOXNWLOMG-ZDUSSCGKSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@@H]([NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CC1)C(N)=O ZINC001421006038 907391508 /nfs/dbraw/zinc/39/15/08/907391508.db2.gz QJYJVPXVWLGLNW-LLVKDONJSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC001421245409 907471016 /nfs/dbraw/zinc/47/10/16/907471016.db2.gz JTOPARPGUHBYGQ-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC001421245409 907471025 /nfs/dbraw/zinc/47/10/25/907471025.db2.gz JTOPARPGUHBYGQ-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001421245409 907471032 /nfs/dbraw/zinc/47/10/32/907471032.db2.gz JTOPARPGUHBYGQ-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001421245409 907471039 /nfs/dbraw/zinc/47/10/39/907471039.db2.gz JTOPARPGUHBYGQ-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001421276627 907478775 /nfs/dbraw/zinc/47/87/75/907478775.db2.gz VTEPMBCDJSVHHE-JHJVBQTASA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001421276627 907478782 /nfs/dbraw/zinc/47/87/82/907478782.db2.gz VTEPMBCDJSVHHE-JHJVBQTASA-N 2 1 296.415 -0.348 20 0 CBADMP CN(C(=O)CC[NH+]1CCOCC1)[C@H]1CC[N@H+](CCO)C1 ZINC001421310409 907489820 /nfs/dbraw/zinc/48/98/20/907489820.db2.gz DQLMBGDTVLVCPC-ZDUSSCGKSA-N 2 1 285.388 -0.766 20 0 CBADMP CN(C(=O)CC[NH+]1CCOCC1)[C@H]1CC[N@@H+](CCO)C1 ZINC001421310409 907489826 /nfs/dbraw/zinc/48/98/26/907489826.db2.gz DQLMBGDTVLVCPC-ZDUSSCGKSA-N 2 1 285.388 -0.766 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001421348492 907499026 /nfs/dbraw/zinc/49/90/26/907499026.db2.gz LHNAJJGPFYGACR-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001421348492 907499032 /nfs/dbraw/zinc/49/90/32/907499032.db2.gz LHNAJJGPFYGACR-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001421348492 907499041 /nfs/dbraw/zinc/49/90/41/907499041.db2.gz LHNAJJGPFYGACR-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001421348492 907499045 /nfs/dbraw/zinc/49/90/45/907499045.db2.gz LHNAJJGPFYGACR-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001421374347 907510489 /nfs/dbraw/zinc/51/04/89/907510489.db2.gz RGSPLOKOYNSHBG-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001421374347 907510504 /nfs/dbraw/zinc/51/05/04/907510504.db2.gz RGSPLOKOYNSHBG-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)[NH+](C)C ZINC001421379589 907516680 /nfs/dbraw/zinc/51/66/80/907516680.db2.gz RSASDRVJVZIADP-TZMCWYRMSA-N 2 1 287.404 -0.882 20 0 CBADMP CC[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001421448814 907550932 /nfs/dbraw/zinc/55/09/32/907550932.db2.gz HVTDYXOBHSCCEC-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001421448809 907550986 /nfs/dbraw/zinc/55/09/86/907550986.db2.gz HVTDYXOBHSCCEC-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnn(C)n1 ZINC001421446138 907551710 /nfs/dbraw/zinc/55/17/10/907551710.db2.gz XMMATSATDHQFOZ-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CN(C[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CC(F)(F)F ZINC001421487746 907566334 /nfs/dbraw/zinc/56/63/34/907566334.db2.gz XKZYKOSADHUBQG-OUAUKWLOSA-N 2 1 281.322 -0.007 20 0 CBADMP CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@H](C)C(=O)NC ZINC001421503453 907570362 /nfs/dbraw/zinc/57/03/62/907570362.db2.gz UFBXMCLWYWHJAI-NEPJUHHUSA-N 2 1 286.420 -0.055 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001421531710 907575229 /nfs/dbraw/zinc/57/52/29/907575229.db2.gz XKTYJLOBQWOIJK-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001421698455 907617304 /nfs/dbraw/zinc/61/73/04/907617304.db2.gz HJJIXUMVEMTQOJ-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cnnn1C ZINC001421764196 907637318 /nfs/dbraw/zinc/63/73/18/907637318.db2.gz CZXURGVPPRIHEQ-RYUDHWBXSA-N 2 1 294.403 -0.391 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cnon1 ZINC001421770472 907639330 /nfs/dbraw/zinc/63/93/30/907639330.db2.gz OGUGXKPHEXERDD-QWRGUYRKSA-N 2 1 281.360 -0.137 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001421864649 907660142 /nfs/dbraw/zinc/66/01/42/907660142.db2.gz FFNFBAYYTUBEBN-NSHDSACASA-N 2 1 272.393 -0.408 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001502135091 921343601 /nfs/dbraw/zinc/34/36/01/921343601.db2.gz GXLCYMZUPGHYQX-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001502205572 921347003 /nfs/dbraw/zinc/34/70/03/921347003.db2.gz GZELUMCKVNDZHJ-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@@H](C)C(N)=O ZINC001422135770 907725968 /nfs/dbraw/zinc/72/59/68/907725968.db2.gz NLVPYXFXVFFPFJ-RYUDHWBXSA-N 2 1 286.420 -0.069 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001422195986 907743936 /nfs/dbraw/zinc/74/39/36/907743936.db2.gz KKYWJCNSKTVVNK-ZDUSSCGKSA-N 2 1 299.415 -0.594 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001422262842 907763011 /nfs/dbraw/zinc/76/30/11/907763011.db2.gz CFUACFLCBORBRK-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001502371888 921352862 /nfs/dbraw/zinc/35/28/62/921352862.db2.gz ZQJDHIQLNGLYJB-GFCCVEGCSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnon1)[NH+](C)C ZINC001422320340 907798300 /nfs/dbraw/zinc/79/83/00/907798300.db2.gz FWGIYAYVLYHLRE-NEPJUHHUSA-N 2 1 299.375 -0.778 20 0 CBADMP Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001422427295 907852034 /nfs/dbraw/zinc/85/20/34/907852034.db2.gz SHJGQCPVWNVZQM-GFCCVEGCSA-N 2 1 298.387 -0.110 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422458135 907867220 /nfs/dbraw/zinc/86/72/20/907867220.db2.gz JNIGZSDDYTYADP-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001422454732 907868169 /nfs/dbraw/zinc/86/81/69/907868169.db2.gz QBLKOCDEEFNCDR-WDEREUQCSA-N 2 1 297.407 -0.467 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001422454732 907868185 /nfs/dbraw/zinc/86/81/85/907868185.db2.gz QBLKOCDEEFNCDR-WDEREUQCSA-N 2 1 297.407 -0.467 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001422514473 907902726 /nfs/dbraw/zinc/90/27/26/907902726.db2.gz JUABXGDQHTUPSB-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP COC[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001422534210 907909278 /nfs/dbraw/zinc/90/92/78/907909278.db2.gz BYHZMDZCXWABPE-WCQYABFASA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001422534210 907909300 /nfs/dbraw/zinc/90/93/00/907909300.db2.gz BYHZMDZCXWABPE-WCQYABFASA-N 2 1 298.387 -0.365 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001422587695 907934871 /nfs/dbraw/zinc/93/48/71/907934871.db2.gz YHSLJESTCCNOCZ-MNOVXSKESA-N 2 1 272.393 -0.443 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422617421 907945508 /nfs/dbraw/zinc/94/55/08/907945508.db2.gz QAEFZCHQXSVCKM-MNOVXSKESA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422617421 907945520 /nfs/dbraw/zinc/94/55/20/907945520.db2.gz QAEFZCHQXSVCKM-MNOVXSKESA-N 2 1 280.376 -0.639 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001422650598 907965126 /nfs/dbraw/zinc/96/51/26/907965126.db2.gz QDYVIWHHBNMFJH-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](NC(=O)CCC[NH+](C)C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001422728750 907989580 /nfs/dbraw/zinc/98/95/80/907989580.db2.gz FAFARXJHVSNSCJ-AAEUAGOBSA-N 2 1 296.415 -0.347 20 0 CBADMP COCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001502600557 921372254 /nfs/dbraw/zinc/37/22/54/921372254.db2.gz XJHZXCWGOGHEFB-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001422820189 908025059 /nfs/dbraw/zinc/02/50/59/908025059.db2.gz GMCGNOKTNGAFQI-ZDEQEGDKSA-N 2 1 296.415 -0.504 20 0 CBADMP 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 908026071 /nfs/dbraw/zinc/02/60/71/908026071.db2.gz NEPOFFRVRIIUSH-LPWJVIDDSA-N 2 1 294.399 -0.893 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001422841835 908026080 /nfs/dbraw/zinc/02/60/80/908026080.db2.gz NEPOFFRVRIIUSH-LPWJVIDDSA-N 2 1 294.399 -0.893 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001422841835 908026091 /nfs/dbraw/zinc/02/60/91/908026091.db2.gz NEPOFFRVRIIUSH-LPWJVIDDSA-N 2 1 294.399 -0.893 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001422827440 908026204 /nfs/dbraw/zinc/02/62/04/908026204.db2.gz IKOQFOMKNAXBAS-ZDEQEGDKSA-N 2 1 294.399 -0.750 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001422836016 908027261 /nfs/dbraw/zinc/02/72/61/908027261.db2.gz YFGWDYNXXHKFQE-CNDDSTCGSA-N 2 1 282.388 -0.893 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001422882701 908043290 /nfs/dbraw/zinc/04/32/90/908043290.db2.gz ZTAKVVGZGRYXCA-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001422882701 908043304 /nfs/dbraw/zinc/04/33/04/908043304.db2.gz ZTAKVVGZGRYXCA-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001422882701 908043316 /nfs/dbraw/zinc/04/33/16/908043316.db2.gz ZTAKVVGZGRYXCA-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001422882701 908043325 /nfs/dbraw/zinc/04/33/25/908043325.db2.gz ZTAKVVGZGRYXCA-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001422872584 908045310 /nfs/dbraw/zinc/04/53/10/908045310.db2.gz AORHFPQZDMQSOL-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001422872584 908045325 /nfs/dbraw/zinc/04/53/25/908045325.db2.gz AORHFPQZDMQSOL-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001422872584 908045340 /nfs/dbraw/zinc/04/53/40/908045340.db2.gz AORHFPQZDMQSOL-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001422872584 908045357 /nfs/dbraw/zinc/04/53/57/908045357.db2.gz AORHFPQZDMQSOL-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422916992 908057116 /nfs/dbraw/zinc/05/71/16/908057116.db2.gz CAKYOWBUIMXMPJ-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422916992 908057126 /nfs/dbraw/zinc/05/71/26/908057126.db2.gz CAKYOWBUIMXMPJ-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001422912801 908059283 /nfs/dbraw/zinc/05/92/83/908059283.db2.gz HEMJKXZXLXIWNV-SRVKXCTJSA-N 2 1 282.388 -0.702 20 0 CBADMP C[C@H](C[N@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)C[NH+]1CCCC1 ZINC001422939044 908061771 /nfs/dbraw/zinc/06/17/71/908061771.db2.gz UNGDYQDAYIJIJA-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)C[NH+]1CCCC1 ZINC001422939044 908061784 /nfs/dbraw/zinc/06/17/84/908061784.db2.gz UNGDYQDAYIJIJA-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001423131266 908118908 /nfs/dbraw/zinc/11/89/08/908118908.db2.gz JJZRRBXDRSPGDZ-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001423131266 908118915 /nfs/dbraw/zinc/11/89/15/908118915.db2.gz JJZRRBXDRSPGDZ-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001423182724 908137214 /nfs/dbraw/zinc/13/72/14/908137214.db2.gz TZFCLOCNSHBEBM-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cccnc1 ZINC001423195777 908145855 /nfs/dbraw/zinc/14/58/55/908145855.db2.gz YEJLBEDWEOJKQC-KGLIPLIRSA-N 2 1 292.383 -0.258 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001423239006 908173727 /nfs/dbraw/zinc/17/37/27/908173727.db2.gz CMLMGTUDSHBGGY-NWDGAFQWSA-N 2 1 296.415 -0.027 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001423279800 908187907 /nfs/dbraw/zinc/18/79/07/908187907.db2.gz LPGNASPZWPUXIC-NSHDSACASA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001502738180 921387367 /nfs/dbraw/zinc/38/73/67/921387367.db2.gz KADHYYHXJRIFDO-WCQYABFASA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1[NH2+]CCCO ZINC001502748623 921388475 /nfs/dbraw/zinc/38/84/75/921388475.db2.gz WRSNUFRSEVXVLD-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CC[NH+](C)C ZINC001423333808 908206790 /nfs/dbraw/zinc/20/67/90/908206790.db2.gz XCBKLQBDZBWNLD-YPMHNXCESA-N 2 1 294.403 -0.154 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001423353590 908210433 /nfs/dbraw/zinc/21/04/33/908210433.db2.gz YXFOGLHPYSFYPY-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CC[NH+](C)C ZINC001423354665 908212221 /nfs/dbraw/zinc/21/22/21/908212221.db2.gz NJESWJRWSCNQHR-NEPJUHHUSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001423453120 908243885 /nfs/dbraw/zinc/24/38/85/908243885.db2.gz LZYQGFQPGZJNQT-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP COCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001423523904 908265059 /nfs/dbraw/zinc/26/50/59/908265059.db2.gz IMXJVCDNXFRCMD-ZDUSSCGKSA-N 2 1 298.387 -0.411 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001423523904 908265074 /nfs/dbraw/zinc/26/50/74/908265074.db2.gz IMXJVCDNXFRCMD-ZDUSSCGKSA-N 2 1 298.387 -0.411 20 0 CBADMP COC[C@H](O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001423694733 908302526 /nfs/dbraw/zinc/30/25/26/908302526.db2.gz YQGGACNNYUFQDI-NWINJMCUSA-N 2 1 299.415 -0.333 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001423696752 908303813 /nfs/dbraw/zinc/30/38/13/908303813.db2.gz QDILSAPVYLNREZ-VOMCLLRMSA-N 2 1 284.404 -0.221 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001423696751 908305200 /nfs/dbraw/zinc/30/52/00/908305200.db2.gz QDILSAPVYLNREZ-UNXYVOJBSA-N 2 1 284.404 -0.221 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001423795391 908334966 /nfs/dbraw/zinc/33/49/66/908334966.db2.gz ANLFOONSWUOAQC-AWEZNQCLSA-N 2 1 285.388 -0.982 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001423910635 908368659 /nfs/dbraw/zinc/36/86/59/908368659.db2.gz KUWDVGSGRROKNE-CYBMUJFWSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001423910635 908368673 /nfs/dbraw/zinc/36/86/73/908368673.db2.gz KUWDVGSGRROKNE-CYBMUJFWSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)CC1 ZINC001424011085 908388439 /nfs/dbraw/zinc/38/84/39/908388439.db2.gz RASVAJSOBBQURH-HNNXBMFYSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001424039457 908396939 /nfs/dbraw/zinc/39/69/39/908396939.db2.gz KGORQSPECHQSRS-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001424039457 908396957 /nfs/dbraw/zinc/39/69/57/908396957.db2.gz KGORQSPECHQSRS-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC001503000960 921408018 /nfs/dbraw/zinc/40/80/18/921408018.db2.gz GMJBKRZGPZJJAG-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CCO ZINC001503000960 921408029 /nfs/dbraw/zinc/40/80/29/921408029.db2.gz GMJBKRZGPZJJAG-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+][C@@H](C)C(N)=O ZINC001503429619 921410023 /nfs/dbraw/zinc/41/00/23/921410023.db2.gz ZTMASSFEJNKBBE-SRVKXCTJSA-N 2 1 284.404 -0.171 20 0 CBADMP CN(CCC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001424332272 908442905 /nfs/dbraw/zinc/44/29/05/908442905.db2.gz QSNDHONKBWTVDJ-NSHDSACASA-N 2 1 270.377 -0.796 20 0 CBADMP CN(CCC[NH+](C)CC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001424332272 908442918 /nfs/dbraw/zinc/44/29/18/908442918.db2.gz QSNDHONKBWTVDJ-NSHDSACASA-N 2 1 270.377 -0.796 20 0 CBADMP CN(CCC[NH+](C)CC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001424332272 908442925 /nfs/dbraw/zinc/44/29/25/908442925.db2.gz QSNDHONKBWTVDJ-NSHDSACASA-N 2 1 270.377 -0.796 20 0 CBADMP C[C@H](O)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC[NH+](C)C)O2 ZINC001424365518 908450414 /nfs/dbraw/zinc/45/04/14/908450414.db2.gz MYLGPKLOPRRUKF-STQMWFEESA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](O)C[NH+]1CC2(C1)CC[C@H](CNC(=O)CC[NH+](C)C)O2 ZINC001424365511 908451876 /nfs/dbraw/zinc/45/18/76/908451876.db2.gz MYLGPKLOPRRUKF-QWHCGFSZSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001424408318 908454076 /nfs/dbraw/zinc/45/40/76/908454076.db2.gz IRGSZQSKGHOMLF-ZFWWWQNUSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@@H]([NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001424587576 908475741 /nfs/dbraw/zinc/47/57/41/908475741.db2.gz LVXHJNKDBCTWGF-HBNTYKKESA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001424615138 908478792 /nfs/dbraw/zinc/47/87/92/908478792.db2.gz HDTHTJLWARXTKV-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001424733233 908492574 /nfs/dbraw/zinc/49/25/74/908492574.db2.gz GRJFANAGNATLDK-WXRRBKDZSA-N 2 1 296.415 -0.170 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC(C[NH2+][C@H](C)C(=O)NC)C1 ZINC001424753862 908497583 /nfs/dbraw/zinc/49/75/83/908497583.db2.gz QVXCROLPHWTBLD-PNESKVBLSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001424837885 908511610 /nfs/dbraw/zinc/51/16/10/908511610.db2.gz GNHVPPBXVFAYAB-VHSXEESVSA-N 2 1 281.360 -0.580 20 0 CBADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)[C@@H](C)C(N)=O ZINC001425009066 908549249 /nfs/dbraw/zinc/54/92/49/908549249.db2.gz ZQWKAISWJBDSCD-MNOVXSKESA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001425009066 908549258 /nfs/dbraw/zinc/54/92/58/908549258.db2.gz ZQWKAISWJBDSCD-MNOVXSKESA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@H]1CCNC1=O ZINC001425009433 908555247 /nfs/dbraw/zinc/55/52/47/908555247.db2.gz JZXCSWIPCZCALF-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H]1CCNC1=O ZINC001425047823 908558279 /nfs/dbraw/zinc/55/82/79/908558279.db2.gz ACOJMNWXBGRPFB-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC001425047823 908558291 /nfs/dbraw/zinc/55/82/91/908558291.db2.gz ACOJMNWXBGRPFB-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001425047823 908558298 /nfs/dbraw/zinc/55/82/98/908558298.db2.gz ACOJMNWXBGRPFB-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH+](C)CCO)C1 ZINC001505466070 921428439 /nfs/dbraw/zinc/42/84/39/921428439.db2.gz RQXBGJMSZVAKCR-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH+](C)CCO)C1 ZINC001505466070 921428444 /nfs/dbraw/zinc/42/84/44/921428444.db2.gz RQXBGJMSZVAKCR-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)CCO)C1 ZINC001505466070 921428453 /nfs/dbraw/zinc/42/84/53/921428453.db2.gz RQXBGJMSZVAKCR-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CCO)C1 ZINC001505466070 921428461 /nfs/dbraw/zinc/42/84/61/921428461.db2.gz RQXBGJMSZVAKCR-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001425656574 908686768 /nfs/dbraw/zinc/68/67/68/908686768.db2.gz OJXZYBLKTANZQO-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC001425835279 908757447 /nfs/dbraw/zinc/75/74/47/908757447.db2.gz HVIIOYMTUZCWDM-AWEZNQCLSA-N 2 1 292.383 -0.256 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]Cc2nncn2C)CN1C(=O)CC[NH+](C)C ZINC001425905278 908779776 /nfs/dbraw/zinc/77/97/76/908779776.db2.gz OFDAMCYSHSLYBA-NWDGAFQWSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001425953462 908786461 /nfs/dbraw/zinc/78/64/61/908786461.db2.gz CFWDKOASCBNHOB-NWDGAFQWSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001426087306 908830972 /nfs/dbraw/zinc/83/09/72/908830972.db2.gz KYHJGJSOPAZHDI-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001426087306 908831000 /nfs/dbraw/zinc/83/10/00/908831000.db2.gz KYHJGJSOPAZHDI-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001426087306 908831008 /nfs/dbraw/zinc/83/10/08/908831008.db2.gz KYHJGJSOPAZHDI-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001426087306 908831027 /nfs/dbraw/zinc/83/10/27/908831027.db2.gz KYHJGJSOPAZHDI-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428631283 909152132 /nfs/dbraw/zinc/15/21/32/909152132.db2.gz PPGFRXMVTQUECU-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001428631283 909152137 /nfs/dbraw/zinc/15/21/37/909152137.db2.gz PPGFRXMVTQUECU-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001428631283 909152150 /nfs/dbraw/zinc/15/21/50/909152150.db2.gz PPGFRXMVTQUECU-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001429550408 909259391 /nfs/dbraw/zinc/25/93/91/909259391.db2.gz WNZSHZJCXBGQLL-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCN(C)C(=O)C[NH+]1CCCC1 ZINC001431297715 909445708 /nfs/dbraw/zinc/44/57/08/909445708.db2.gz DBSGEJKYWHFLDA-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)[C@H]1CCNC1=O ZINC001505936246 921506738 /nfs/dbraw/zinc/50/67/38/921506738.db2.gz XRMSBMFVGPAVHY-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001433420955 909728049 /nfs/dbraw/zinc/72/80/49/909728049.db2.gz NNJLFLPEFKZTOU-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001433420955 909728057 /nfs/dbraw/zinc/72/80/57/909728057.db2.gz NNJLFLPEFKZTOU-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001433420955 909728070 /nfs/dbraw/zinc/72/80/70/909728070.db2.gz NNJLFLPEFKZTOU-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC001505992216 921519090 /nfs/dbraw/zinc/51/90/90/921519090.db2.gz AXTGTWRDUNJMDO-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001505991394 921520755 /nfs/dbraw/zinc/52/07/55/921520755.db2.gz RRFBOZJAFMYPIP-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC001505992220 921520943 /nfs/dbraw/zinc/52/09/43/921520943.db2.gz AXTGTWRDUNJMDO-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CO[C@@H](C)CN1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001506141539 921553701 /nfs/dbraw/zinc/55/37/01/921553701.db2.gz YFKYFHAJQJKYDN-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](O)[C@@H](O)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001434487029 910230898 /nfs/dbraw/zinc/23/08/98/910230898.db2.gz GZEJVLNQZZQOIO-FZMZJTMJSA-N 2 1 272.389 -0.039 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001436337836 910430404 /nfs/dbraw/zinc/43/04/04/910430404.db2.gz FKPASAPQMJGLIH-FRRDWIJNSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001436485624 910452251 /nfs/dbraw/zinc/45/22/51/910452251.db2.gz YTWKISNMFCYULA-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001436485624 910452261 /nfs/dbraw/zinc/45/22/61/910452261.db2.gz YTWKISNMFCYULA-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(C(=O)CCC[NH+](C)C)C1CC[NH+](CC(N)=O)CC1 ZINC001436672392 910462546 /nfs/dbraw/zinc/46/25/46/910462546.db2.gz KEYCZQNZLINPLP-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001436746914 910476493 /nfs/dbraw/zinc/47/64/93/910476493.db2.gz NQOWIXFBHZRZDR-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)CC(N)=O)C1 ZINC001436846236 910494174 /nfs/dbraw/zinc/49/41/74/910494174.db2.gz DFIITMITNUFGQF-CYBMUJFWSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001436846236 910494177 /nfs/dbraw/zinc/49/41/77/910494177.db2.gz DFIITMITNUFGQF-CYBMUJFWSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001436846236 910494183 /nfs/dbraw/zinc/49/41/83/910494183.db2.gz DFIITMITNUFGQF-CYBMUJFWSA-N 2 1 298.431 -0.018 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001436825277 910494480 /nfs/dbraw/zinc/49/44/80/910494480.db2.gz HHANCZUJKPUTQZ-AAEUAGOBSA-N 2 1 296.415 -0.441 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001436900385 910505585 /nfs/dbraw/zinc/50/55/85/910505585.db2.gz KOFOHGXGDFAHKP-HAQNSBGRSA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001436917468 910509912 /nfs/dbraw/zinc/50/99/12/910509912.db2.gz YCYJHERVRZUHNP-AVGNSLFASA-N 2 1 285.388 -0.674 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001436955227 910518947 /nfs/dbraw/zinc/51/89/47/910518947.db2.gz XUFRMNRRYGLEIE-XQQFMLRXSA-N 2 1 296.415 -0.158 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001436977416 910521610 /nfs/dbraw/zinc/52/16/10/910521610.db2.gz JWKNVBVJLZHRGK-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001437043786 910532126 /nfs/dbraw/zinc/53/21/26/910532126.db2.gz ZHPFVKAJJYKAPE-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001437043786 910532139 /nfs/dbraw/zinc/53/21/39/910532139.db2.gz ZHPFVKAJJYKAPE-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)C1 ZINC001437043786 910532152 /nfs/dbraw/zinc/53/21/52/910532152.db2.gz ZHPFVKAJJYKAPE-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)C1 ZINC001437043786 910532162 /nfs/dbraw/zinc/53/21/62/910532162.db2.gz ZHPFVKAJJYKAPE-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCn1cccn1 ZINC001437130410 910560396 /nfs/dbraw/zinc/56/03/96/910560396.db2.gz XFSBWXFPWFNREJ-QWHCGFSZSA-N 2 1 295.387 -0.692 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCn1cccn1 ZINC001437130410 910560407 /nfs/dbraw/zinc/56/04/07/910560407.db2.gz XFSBWXFPWFNREJ-QWHCGFSZSA-N 2 1 295.387 -0.692 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001437199548 910583950 /nfs/dbraw/zinc/58/39/50/910583950.db2.gz CSBADRDNAXBOPL-WDEREUQCSA-N 2 1 270.377 -0.832 20 0 CBADMP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001437198388 910584193 /nfs/dbraw/zinc/58/41/93/910584193.db2.gz BNOXRYFTDUEKFX-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001437202127 910584550 /nfs/dbraw/zinc/58/45/50/910584550.db2.gz OLXNIAXINDWNJX-NSHDSACASA-N 2 1 282.392 -0.156 20 0 CBADMP CCn1ncc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)n1 ZINC001437258252 910602084 /nfs/dbraw/zinc/60/20/84/910602084.db2.gz GFIRWZWLMXVAFD-GFCCVEGCSA-N 2 1 294.403 -0.012 20 0 CBADMP CC[C@@H]([NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C)C(N)=O ZINC001437264730 910602770 /nfs/dbraw/zinc/60/27/70/910602770.db2.gz XETFUZMQYBMMGO-GHMZBOCLSA-N 2 1 272.393 -0.315 20 0 CBADMP CC[C@H]([NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C)C(N)=O ZINC001437264732 910603479 /nfs/dbraw/zinc/60/34/79/910603479.db2.gz XETFUZMQYBMMGO-MNOVXSKESA-N 2 1 272.393 -0.315 20 0 CBADMP CC[C@@H]([NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C)C(N)=O ZINC001437264868 910603844 /nfs/dbraw/zinc/60/38/44/910603844.db2.gz XETFUZMQYBMMGO-WDEREUQCSA-N 2 1 272.393 -0.315 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001437403529 910628996 /nfs/dbraw/zinc/62/89/96/910628996.db2.gz GEWWYCOFFALDIE-LLVKDONJSA-N 2 1 295.387 -0.024 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@H]1CCCNC1=O)[NH+](C)C ZINC001437515906 910669902 /nfs/dbraw/zinc/66/99/02/910669902.db2.gz FQIJAFKNVFWJRR-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O)[NH+](C)C ZINC001437515906 910669916 /nfs/dbraw/zinc/66/99/16/910669916.db2.gz FQIJAFKNVFWJRR-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001437512988 910671100 /nfs/dbraw/zinc/67/11/00/910671100.db2.gz SPZYLFLJAZKGGH-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001437512988 910671105 /nfs/dbraw/zinc/67/11/05/910671105.db2.gz SPZYLFLJAZKGGH-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@H](C)O ZINC001437592989 910695937 /nfs/dbraw/zinc/69/59/37/910695937.db2.gz UOXXSCXUFDTTCS-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@H](C)O ZINC001437592989 910695944 /nfs/dbraw/zinc/69/59/44/910695944.db2.gz UOXXSCXUFDTTCS-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C[C@H](C)O ZINC001437592989 910695951 /nfs/dbraw/zinc/69/59/51/910695951.db2.gz UOXXSCXUFDTTCS-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@H](C)O ZINC001437592989 910695956 /nfs/dbraw/zinc/69/59/56/910695956.db2.gz UOXXSCXUFDTTCS-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)C(=O)NC ZINC001437623459 910699211 /nfs/dbraw/zinc/69/92/11/910699211.db2.gz XSAMSOOGANYSDX-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)C(=O)NC ZINC001437623459 910699226 /nfs/dbraw/zinc/69/92/26/910699226.db2.gz XSAMSOOGANYSDX-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(N)=O ZINC001437621159 910703212 /nfs/dbraw/zinc/70/32/12/910703212.db2.gz NGQBSRIVXCIBGX-UHFFFAOYSA-N 2 1 270.377 -0.748 20 0 CBADMP CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(N)=O ZINC001437621159 910703224 /nfs/dbraw/zinc/70/32/24/910703224.db2.gz NGQBSRIVXCIBGX-UHFFFAOYSA-N 2 1 270.377 -0.748 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001437660064 910715276 /nfs/dbraw/zinc/71/52/76/910715276.db2.gz NLVQRWJXNAJVLU-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001437660064 910715282 /nfs/dbraw/zinc/71/52/82/910715282.db2.gz NLVQRWJXNAJVLU-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCC[N@H+]1CCCO ZINC001437677748 910718433 /nfs/dbraw/zinc/71/84/33/910718433.db2.gz GYCXYUQDYWJDIR-AWEZNQCLSA-N 2 1 299.415 -0.328 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001437677748 910718439 /nfs/dbraw/zinc/71/84/39/910718439.db2.gz GYCXYUQDYWJDIR-AWEZNQCLSA-N 2 1 299.415 -0.328 20 0 CBADMP CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001437697840 910728047 /nfs/dbraw/zinc/72/80/47/910728047.db2.gz IBPHIGKNTKDHLR-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001437697840 910728055 /nfs/dbraw/zinc/72/80/55/910728055.db2.gz IBPHIGKNTKDHLR-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001437697840 910728068 /nfs/dbraw/zinc/72/80/68/910728068.db2.gz IBPHIGKNTKDHLR-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001437697840 910728076 /nfs/dbraw/zinc/72/80/76/910728076.db2.gz IBPHIGKNTKDHLR-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001506675651 921602157 /nfs/dbraw/zinc/60/21/57/921602157.db2.gz KQMBKWZQLCEJGW-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001437803955 910750860 /nfs/dbraw/zinc/75/08/60/910750860.db2.gz OHHIZPFTOXEASX-CMPLNLGQSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001437803955 910750874 /nfs/dbraw/zinc/75/08/74/910750874.db2.gz OHHIZPFTOXEASX-CMPLNLGQSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001437803955 910750886 /nfs/dbraw/zinc/75/08/86/910750886.db2.gz OHHIZPFTOXEASX-CMPLNLGQSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001437803955 910750901 /nfs/dbraw/zinc/75/09/01/910750901.db2.gz OHHIZPFTOXEASX-CMPLNLGQSA-N 2 1 282.388 -0.465 20 0 CBADMP C[NH+](CC(=O)N1CC[C@@H](C[N@H+](C)CC(N)=O)C1)C1CCC1 ZINC001437976880 910783269 /nfs/dbraw/zinc/78/32/69/910783269.db2.gz NAMINDLSWDRIFB-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001437976880 910783282 /nfs/dbraw/zinc/78/32/82/910783282.db2.gz NAMINDLSWDRIFB-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001437976880 910783293 /nfs/dbraw/zinc/78/32/93/910783293.db2.gz NAMINDLSWDRIFB-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001437991392 910791730 /nfs/dbraw/zinc/79/17/30/910791730.db2.gz MCDSFUTYAIZWPU-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001438214640 910849546 /nfs/dbraw/zinc/84/95/46/910849546.db2.gz AAJHKJZVKCYBKU-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001438214640 910849566 /nfs/dbraw/zinc/84/95/66/910849566.db2.gz AAJHKJZVKCYBKU-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001438214640 910849582 /nfs/dbraw/zinc/84/95/82/910849582.db2.gz AAJHKJZVKCYBKU-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001438269060 910858026 /nfs/dbraw/zinc/85/80/26/910858026.db2.gz SOKBGLVEFPCWOZ-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001438269060 910858036 /nfs/dbraw/zinc/85/80/36/910858036.db2.gz SOKBGLVEFPCWOZ-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001438269057 910859844 /nfs/dbraw/zinc/85/98/44/910859844.db2.gz SOKBGLVEFPCWOZ-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001438269057 910859857 /nfs/dbraw/zinc/85/98/57/910859857.db2.gz SOKBGLVEFPCWOZ-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC(=O)NC ZINC001438349291 910882704 /nfs/dbraw/zinc/88/27/04/910882704.db2.gz SZQXHTLRSHJMSL-RWMBFGLXSA-N 2 1 298.431 -0.053 20 0 CBADMP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001438381255 910886549 /nfs/dbraw/zinc/88/65/49/910886549.db2.gz WPHQUYFRSNXGCL-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nncn1C ZINC001438374673 910888672 /nfs/dbraw/zinc/88/86/72/910888672.db2.gz QQIMDVUYTIRLCN-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)C[NH2+]C[C@H](C)O ZINC001438543232 910915237 /nfs/dbraw/zinc/91/52/37/910915237.db2.gz ZRXQNQILZOXRTF-STQMWFEESA-N 2 1 287.404 -0.569 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nnnn1C ZINC001438549541 910915585 /nfs/dbraw/zinc/91/55/85/910915585.db2.gz RMWXANZQEXKPQI-GHMZBOCLSA-N 2 1 295.391 -0.996 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001438545766 910918945 /nfs/dbraw/zinc/91/89/45/910918945.db2.gz QWGRXTZDOJMJDG-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)CC[NH+](C)C ZINC001438672229 910953804 /nfs/dbraw/zinc/95/38/04/910953804.db2.gz IQCTXWNPZAVDEM-NSHDSACASA-N 2 1 282.392 -0.297 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001438723830 910963700 /nfs/dbraw/zinc/96/37/00/910963700.db2.gz RKNFNUNZEJQEAT-SNVBAGLBSA-N 2 1 281.360 -0.626 20 0 CBADMP CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001438930857 910999848 /nfs/dbraw/zinc/99/98/48/910999848.db2.gz CFPPIJZQINMZJY-CYBMUJFWSA-N 2 1 298.431 -0.193 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001438930857 910999858 /nfs/dbraw/zinc/99/98/58/910999858.db2.gz CFPPIJZQINMZJY-CYBMUJFWSA-N 2 1 298.431 -0.193 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001438930857 910999866 /nfs/dbraw/zinc/99/98/66/910999866.db2.gz CFPPIJZQINMZJY-CYBMUJFWSA-N 2 1 298.431 -0.193 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001438930857 910999874 /nfs/dbraw/zinc/99/98/74/910999874.db2.gz CFPPIJZQINMZJY-CYBMUJFWSA-N 2 1 298.431 -0.193 20 0 CBADMP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)no1 ZINC001439048065 911071744 /nfs/dbraw/zinc/07/17/44/911071744.db2.gz TWORQZTZUOODAF-YPMHNXCESA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)no1 ZINC001439048065 911071763 /nfs/dbraw/zinc/07/17/63/911071763.db2.gz TWORQZTZUOODAF-YPMHNXCESA-N 2 1 296.371 -0.499 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(CC)CC[NH2+][C@H]1CCN(C)C1=O ZINC001439081096 911086429 /nfs/dbraw/zinc/08/64/29/911086429.db2.gz FMIWFTZOGSYXES-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](C[NH2+]Cc1ccnn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439179253 911128546 /nfs/dbraw/zinc/12/85/46/911128546.db2.gz RQOFNCNVOKCALM-NEPJUHHUSA-N 2 1 279.388 -0.034 20 0 CBADMP C[C@H](C[NH2+]Cc1ccnn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439179255 911130226 /nfs/dbraw/zinc/13/02/26/911130226.db2.gz RQOFNCNVOKCALM-VXGBXAGGSA-N 2 1 279.388 -0.034 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)C[NH+]1CCCC1 ZINC001439178519 911131241 /nfs/dbraw/zinc/13/12/41/911131241.db2.gz BOAJCBZQNZTQRT-LLVKDONJSA-N 2 1 280.376 -0.495 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001439195856 911135937 /nfs/dbraw/zinc/13/59/37/911135937.db2.gz LOTOSFVYLWQXHR-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)CCC[NH+](C)C ZINC001439254861 911154707 /nfs/dbraw/zinc/15/47/07/911154707.db2.gz HGNSVTRQTRFTJT-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001439239295 911155160 /nfs/dbraw/zinc/15/51/60/911155160.db2.gz LFGOXIFDINLAMO-QJPTWQEYSA-N 2 1 284.404 -0.443 20 0 CBADMP CO[C@@H](C)C[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001439261566 911157836 /nfs/dbraw/zinc/15/78/36/911157836.db2.gz FCRVXVZONRJSSU-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CC(=O)NC)CC[N@@H+]1C ZINC001439330406 911183841 /nfs/dbraw/zinc/18/38/41/911183841.db2.gz ZAAQNHVYGRKLNH-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CC(=O)NC)CC[N@H+]1C ZINC001439330406 911183846 /nfs/dbraw/zinc/18/38/46/911183846.db2.gz ZAAQNHVYGRKLNH-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC)CC[NH+]1C ZINC001439330406 911183856 /nfs/dbraw/zinc/18/38/56/911183856.db2.gz ZAAQNHVYGRKLNH-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC)CC[NH+]1C ZINC001439330406 911183866 /nfs/dbraw/zinc/18/38/66/911183866.db2.gz ZAAQNHVYGRKLNH-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439370064 911191501 /nfs/dbraw/zinc/19/15/01/911191501.db2.gz OBSBLZRXRPOITQ-NWDGAFQWSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439370064 911191517 /nfs/dbraw/zinc/19/15/17/911191517.db2.gz OBSBLZRXRPOITQ-NWDGAFQWSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC(=O)NC ZINC001439398898 911197923 /nfs/dbraw/zinc/19/79/23/911197923.db2.gz GCXGDELUTKFXIR-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC(=O)NC ZINC001439398898 911197930 /nfs/dbraw/zinc/19/79/30/911197930.db2.gz GCXGDELUTKFXIR-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC ZINC001439398898 911197939 /nfs/dbraw/zinc/19/79/39/911197939.db2.gz GCXGDELUTKFXIR-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC ZINC001439398898 911197946 /nfs/dbraw/zinc/19/79/46/911197946.db2.gz GCXGDELUTKFXIR-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001439448621 911213037 /nfs/dbraw/zinc/21/30/37/911213037.db2.gz ZMBVPZOTMYSPRF-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@]1(NC(=O)CC[NH+]2CCOCC2)CC[N@H+](CCCO)C1 ZINC001439855052 911299099 /nfs/dbraw/zinc/29/90/99/911299099.db2.gz UIXMUBLOXGOAJU-OAHLLOKOSA-N 2 1 299.415 -0.328 20 0 CBADMP C[C@@]1(NC(=O)CC[NH+]2CCOCC2)CC[N@@H+](CCCO)C1 ZINC001439855052 911299106 /nfs/dbraw/zinc/29/91/06/911299106.db2.gz UIXMUBLOXGOAJU-OAHLLOKOSA-N 2 1 299.415 -0.328 20 0 CBADMP C[C@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001439843730 911300838 /nfs/dbraw/zinc/30/08/38/911300838.db2.gz BPJPXXKHUHKLHC-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001439843730 911300858 /nfs/dbraw/zinc/30/08/58/911300858.db2.gz BPJPXXKHUHKLHC-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001439889412 911305163 /nfs/dbraw/zinc/30/51/63/911305163.db2.gz LPCRNCXLXJPSMO-OAHLLOKOSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CCOC)C1 ZINC001440024438 911349293 /nfs/dbraw/zinc/34/92/93/911349293.db2.gz RIXWZQOFNQDUOQ-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](CCOC)C1 ZINC001440024438 911349314 /nfs/dbraw/zinc/34/93/14/911349314.db2.gz RIXWZQOFNQDUOQ-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](CCOC)C1 ZINC001440024438 911349332 /nfs/dbraw/zinc/34/93/32/911349332.db2.gz RIXWZQOFNQDUOQ-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001440318106 911427903 /nfs/dbraw/zinc/42/79/03/911427903.db2.gz FKPASAPQMJGLIH-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001440528553 911466478 /nfs/dbraw/zinc/46/64/78/911466478.db2.gz HZOIKKNQIGPHRF-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001440528553 911466472 /nfs/dbraw/zinc/46/64/72/911466472.db2.gz HZOIKKNQIGPHRF-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001440528553 911466476 /nfs/dbraw/zinc/46/64/76/911466476.db2.gz HZOIKKNQIGPHRF-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001440528553 911466480 /nfs/dbraw/zinc/46/64/80/911466480.db2.gz HZOIKKNQIGPHRF-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC(N)=O ZINC001440649818 911486560 /nfs/dbraw/zinc/48/65/60/911486560.db2.gz KSQDXKAJZMHGCK-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC(N)=O ZINC001440649818 911486565 /nfs/dbraw/zinc/48/65/65/911486565.db2.gz KSQDXKAJZMHGCK-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP COCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001440701425 911492105 /nfs/dbraw/zinc/49/21/05/911492105.db2.gz BVIJAQHCXBYJNK-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001440722896 911499392 /nfs/dbraw/zinc/49/93/92/911499392.db2.gz QOJVDDQKZZZWDG-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001440722896 911499400 /nfs/dbraw/zinc/49/94/00/911499400.db2.gz QOJVDDQKZZZWDG-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001440722896 911499412 /nfs/dbraw/zinc/49/94/12/911499412.db2.gz QOJVDDQKZZZWDG-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001440722896 911499418 /nfs/dbraw/zinc/49/94/18/911499418.db2.gz QOJVDDQKZZZWDG-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001440994442 911576361 /nfs/dbraw/zinc/57/63/61/911576361.db2.gz IFXWDXFFGDSEIW-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001440994442 911576371 /nfs/dbraw/zinc/57/63/71/911576371.db2.gz IFXWDXFFGDSEIW-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H]1CCN(C)C1=O ZINC001441003881 911581487 /nfs/dbraw/zinc/58/14/87/911581487.db2.gz SMZZXTDSIXUFJL-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC001441003881 911581497 /nfs/dbraw/zinc/58/14/97/911581497.db2.gz SMZZXTDSIXUFJL-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001441003881 911581505 /nfs/dbraw/zinc/58/15/05/911581505.db2.gz SMZZXTDSIXUFJL-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001441006585 911582652 /nfs/dbraw/zinc/58/26/52/911582652.db2.gz COIYKTVZJGQNLF-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001441158161 911618256 /nfs/dbraw/zinc/61/82/56/911618256.db2.gz UODHSEGTDLZNDS-GFCCVEGCSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1)CC(C)(C)C ZINC001441218628 911626844 /nfs/dbraw/zinc/62/68/44/911626844.db2.gz AGWGQSRXWHHIRP-GFCCVEGCSA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCCO ZINC001507110534 921678870 /nfs/dbraw/zinc/67/88/70/921678870.db2.gz NHNKGFGCXOYIQO-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001441348012 911649474 /nfs/dbraw/zinc/64/94/74/911649474.db2.gz IJIWHOQBSWGWOT-SRVKXCTJSA-N 2 1 282.388 -0.689 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001441381137 911656714 /nfs/dbraw/zinc/65/67/14/911656714.db2.gz AXDCRCSZNVAYQC-SRVKXCTJSA-N 2 1 282.388 -0.417 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001441381042 911657381 /nfs/dbraw/zinc/65/73/81/911657381.db2.gz AXDCRCSZNVAYQC-IJLUTSLNSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@@H](CN(C)C(=O)c1cc(C[NH+](C)C)on1)[NH2+]CCO ZINC001507092413 921674594 /nfs/dbraw/zinc/67/45/94/921674594.db2.gz NMSNDBMAZVXECS-JTQLQIEISA-N 2 1 284.360 -0.221 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001441439947 911669987 /nfs/dbraw/zinc/66/99/87/911669987.db2.gz NHASUJAEDRYOHH-JHJVBQTASA-N 2 1 296.415 -0.156 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001441453668 911673329 /nfs/dbraw/zinc/67/33/29/911673329.db2.gz DKLIOBWOADPCSV-WYUUTHIRSA-N 2 1 282.388 -0.548 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001441490354 911684148 /nfs/dbraw/zinc/68/41/48/911684148.db2.gz WVYZAFLLNVFXLA-WISYIIOYSA-N 2 1 282.388 -0.691 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001441591602 911712992 /nfs/dbraw/zinc/71/29/92/911712992.db2.gz PKIMGGMRCFYMTQ-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001441657978 911726513 /nfs/dbraw/zinc/72/65/13/911726513.db2.gz YOWBYRQADMFNJC-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1nnnn1C ZINC001441659076 911728706 /nfs/dbraw/zinc/72/87/06/911728706.db2.gz OXYOLKDGMAVRKG-NSHDSACASA-N 2 1 295.391 -0.758 20 0 CBADMP Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001441678301 911742393 /nfs/dbraw/zinc/74/23/93/911742393.db2.gz HNAAKUNRXVBTKS-NEPJUHHUSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001441678301 911742406 /nfs/dbraw/zinc/74/24/06/911742406.db2.gz HNAAKUNRXVBTKS-NEPJUHHUSA-N 2 1 296.371 -0.356 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](CO)[NH2+]CCF ZINC001441714381 911763092 /nfs/dbraw/zinc/76/30/92/911763092.db2.gz IHKJRXRILRSQGZ-VXGBXAGGSA-N 2 1 275.368 -0.103 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](CO)[NH2+]CCF ZINC001441714360 911763504 /nfs/dbraw/zinc/76/35/04/911763504.db2.gz IHKJRXRILRSQGZ-NEPJUHHUSA-N 2 1 275.368 -0.103 20 0 CBADMP CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001441749093 911778412 /nfs/dbraw/zinc/77/84/12/911778412.db2.gz IFNUZOBXRXIEJK-VXGBXAGGSA-N 2 1 280.372 -0.159 20 0 CBADMP CC[NH2+][C@H](CO)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001441762173 911787531 /nfs/dbraw/zinc/78/75/31/911787531.db2.gz YGKVZZLSRKNBMX-NSHDSACASA-N 2 1 296.371 -0.029 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCCO ZINC001507154453 921691223 /nfs/dbraw/zinc/69/12/23/921691223.db2.gz NUDGEGIVWSRWEJ-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CCN1CCCC1=O ZINC001441783756 911802421 /nfs/dbraw/zinc/80/24/21/911802421.db2.gz HMNIGZPGVMYTMF-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccnn1C ZINC001441788959 911809321 /nfs/dbraw/zinc/80/93/21/911809321.db2.gz NQIZCEWLEXADAO-WCQYABFASA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccnn1C ZINC001441788959 911809329 /nfs/dbraw/zinc/80/93/29/911809329.db2.gz NQIZCEWLEXADAO-WCQYABFASA-N 2 1 295.387 -0.655 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCCO)C1 ZINC001507158401 921693100 /nfs/dbraw/zinc/69/31/00/921693100.db2.gz ANFODUGBBNORHU-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCCO)C1 ZINC001507158401 921693112 /nfs/dbraw/zinc/69/31/12/921693112.db2.gz ANFODUGBBNORHU-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001441829403 911827404 /nfs/dbraw/zinc/82/74/04/911827404.db2.gz GBFGTGSUHDJRCA-WDEREUQCSA-N 2 1 270.377 -0.609 20 0 CBADMP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CC(N)=O)CC2)[NH+](C)C ZINC001441876315 911846395 /nfs/dbraw/zinc/84/63/95/911846395.db2.gz PXKJNEJSLQZVSS-YWPYICTPSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2)[NH+](C)C ZINC001441876315 911846413 /nfs/dbraw/zinc/84/64/13/911846413.db2.gz PXKJNEJSLQZVSS-YWPYICTPSA-N 2 1 296.415 -0.075 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001441936966 911859769 /nfs/dbraw/zinc/85/97/69/911859769.db2.gz QLNLDLHSQIYBCY-NEPJUHHUSA-N 2 1 296.415 -0.489 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001441943625 911862785 /nfs/dbraw/zinc/86/27/85/911862785.db2.gz WWGVFJGDHMYMJL-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nncn1C ZINC001442058386 911916587 /nfs/dbraw/zinc/91/65/87/911916587.db2.gz YRHRINSVEIMBQY-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001442089674 911930771 /nfs/dbraw/zinc/93/07/71/911930771.db2.gz VRHAYHGZRYGPRV-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001442089674 911930779 /nfs/dbraw/zinc/93/07/79/911930779.db2.gz VRHAYHGZRYGPRV-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001442089674 911930796 /nfs/dbraw/zinc/93/07/96/911930796.db2.gz VRHAYHGZRYGPRV-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001442146416 911936752 /nfs/dbraw/zinc/93/67/52/911936752.db2.gz BUYCVWIFOQHODU-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CN(C)C(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001442212882 911953181 /nfs/dbraw/zinc/95/31/81/911953181.db2.gz LTIBTHAFHBQUEB-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001442212882 911953189 /nfs/dbraw/zinc/95/31/89/911953189.db2.gz LTIBTHAFHBQUEB-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001442335804 911973757 /nfs/dbraw/zinc/97/37/57/911973757.db2.gz DUPYTGDCDPBSNA-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC001442534429 912038366 /nfs/dbraw/zinc/03/83/66/912038366.db2.gz KIYASVCJCZTNGZ-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC001442534429 912038382 /nfs/dbraw/zinc/03/83/82/912038382.db2.gz KIYASVCJCZTNGZ-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(=O)NC ZINC001442953455 912126764 /nfs/dbraw/zinc/12/67/64/912126764.db2.gz VKHVPOFEADJFPF-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(=O)NC ZINC001442953455 912126782 /nfs/dbraw/zinc/12/67/82/912126782.db2.gz VKHVPOFEADJFPF-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CC(=O)NC ZINC001442953455 912126790 /nfs/dbraw/zinc/12/67/90/912126790.db2.gz VKHVPOFEADJFPF-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CC(=O)NC ZINC001442953455 912126805 /nfs/dbraw/zinc/12/68/05/912126805.db2.gz VKHVPOFEADJFPF-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001442923523 912127970 /nfs/dbraw/zinc/12/79/70/912127970.db2.gz VCSUAMPYYNUFOK-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC001442923523 912127981 /nfs/dbraw/zinc/12/79/81/912127981.db2.gz VCSUAMPYYNUFOK-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCNC1=O ZINC001442923523 912127995 /nfs/dbraw/zinc/12/79/95/912127995.db2.gz VCSUAMPYYNUFOK-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001443073405 912147190 /nfs/dbraw/zinc/14/71/90/912147190.db2.gz DHUXPOMKYBDXEG-QJPTWQEYSA-N 2 1 284.404 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@H]2CCNC2=O)CC[N@H+]1C ZINC001443079347 912149235 /nfs/dbraw/zinc/14/92/35/912149235.db2.gz PJGGVMPBWBDNQJ-UTUOFQBUSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C)C(=O)N(C)C ZINC001443087993 912153024 /nfs/dbraw/zinc/15/30/24/912153024.db2.gz RHTYUXHCMGUGJZ-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001443090026 912153461 /nfs/dbraw/zinc/15/34/61/912153461.db2.gz IOIPROSBISUOCF-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001443099390 912155248 /nfs/dbraw/zinc/15/52/48/912155248.db2.gz JDXDIGOVKFOJTA-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001443107761 912156059 /nfs/dbraw/zinc/15/60/59/912156059.db2.gz ZDXOAQGYNJWXBU-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)c1nnnn1C ZINC001443093726 912157181 /nfs/dbraw/zinc/15/71/81/912157181.db2.gz BDRCDZHLTRTLFS-MNOVXSKESA-N 2 1 295.391 -0.587 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)c1nnnn1C ZINC001443093726 912157187 /nfs/dbraw/zinc/15/71/87/912157187.db2.gz BDRCDZHLTRTLFS-MNOVXSKESA-N 2 1 295.391 -0.587 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001443107770 912157505 /nfs/dbraw/zinc/15/75/05/912157505.db2.gz ZDXOAQGYNJWXBU-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001443107795 912157758 /nfs/dbraw/zinc/15/77/58/912157758.db2.gz ZDXOAQGYNJWXBU-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001443099114 912158645 /nfs/dbraw/zinc/15/86/45/912158645.db2.gz KPMMNLJPYSASNN-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001443275363 912174139 /nfs/dbraw/zinc/17/41/39/912174139.db2.gz UJCSLNCINMMGSH-GFCCVEGCSA-N 2 1 293.371 -0.495 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443275363 912174145 /nfs/dbraw/zinc/17/41/45/912174145.db2.gz UJCSLNCINMMGSH-GFCCVEGCSA-N 2 1 293.371 -0.495 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001443348634 912186784 /nfs/dbraw/zinc/18/67/84/912186784.db2.gz YXCLBIMAOLDDDS-STQMWFEESA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001443348634 912186790 /nfs/dbraw/zinc/18/67/90/912186790.db2.gz YXCLBIMAOLDDDS-STQMWFEESA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001443348634 912186801 /nfs/dbraw/zinc/18/68/01/912186801.db2.gz YXCLBIMAOLDDDS-STQMWFEESA-N 2 1 298.431 -0.019 20 0 CBADMP CCN1CC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001464653027 914998000 /nfs/dbraw/zinc/99/80/00/914998000.db2.gz JOYFUGDVGYIFDM-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+]1CC[C@@H]1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC001464653027 914998009 /nfs/dbraw/zinc/99/80/09/914998009.db2.gz JOYFUGDVGYIFDM-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@H+]1CC[C@@H]1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC001464653027 914998016 /nfs/dbraw/zinc/99/80/16/914998016.db2.gz JOYFUGDVGYIFDM-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+]1CC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001464653027 914998027 /nfs/dbraw/zinc/99/80/27/914998027.db2.gz JOYFUGDVGYIFDM-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+]1CC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001464653027 914998040 /nfs/dbraw/zinc/99/80/40/914998040.db2.gz JOYFUGDVGYIFDM-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCC[C@H]1O ZINC001470844549 915532255 /nfs/dbraw/zinc/53/22/55/915532255.db2.gz KBBMGYNCZPZVPC-YNEHKIRRSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](CC(=O)NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCC[C@H]1O ZINC001470844549 915532265 /nfs/dbraw/zinc/53/22/65/915532265.db2.gz KBBMGYNCZPZVPC-YNEHKIRRSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](CC(=O)NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCC[C@H]1O ZINC001470844549 915532274 /nfs/dbraw/zinc/53/22/74/915532274.db2.gz KBBMGYNCZPZVPC-YNEHKIRRSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC([NH2+]C2COC2)C1 ZINC001472158045 915704216 /nfs/dbraw/zinc/70/42/16/915704216.db2.gz IXLBNQNRZSFWMQ-UHFFFAOYSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC001472626945 915755063 /nfs/dbraw/zinc/75/50/63/915755063.db2.gz OGZJDKKTZCLYJJ-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC001472626945 915755071 /nfs/dbraw/zinc/75/50/71/915755071.db2.gz OGZJDKKTZCLYJJ-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC001472626945 915755089 /nfs/dbraw/zinc/75/50/89/915755089.db2.gz OGZJDKKTZCLYJJ-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC=C(C)C)C1 ZINC001507266011 921797028 /nfs/dbraw/zinc/79/70/28/921797028.db2.gz WDEXZRVUFOOPFO-UONOGXRCSA-N 2 1 299.415 -0.260 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC=C(C)C)C1 ZINC001507266011 921797038 /nfs/dbraw/zinc/79/70/38/921797038.db2.gz WDEXZRVUFOOPFO-UONOGXRCSA-N 2 1 299.415 -0.260 20 0 CBADMP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(C)nn2)CC1 ZINC001473931077 915877091 /nfs/dbraw/zinc/87/70/91/915877091.db2.gz CDWYOPASGAZWGU-LBPRGKRZSA-N 2 1 266.393 -0.069 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H](CO)[C@H](CCO)C1 ZINC001473891580 915881547 /nfs/dbraw/zinc/88/15/47/915881547.db2.gz BJPQZVOJLACARD-MCIONIFRSA-N 2 1 274.405 -0.390 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](CO)[C@H](CCO)C1 ZINC001473891580 915881563 /nfs/dbraw/zinc/88/15/63/915881563.db2.gz BJPQZVOJLACARD-MCIONIFRSA-N 2 1 274.405 -0.390 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](CO)[C@H](CCO)C1 ZINC001473891580 915881576 /nfs/dbraw/zinc/88/15/76/915881576.db2.gz BJPQZVOJLACARD-MCIONIFRSA-N 2 1 274.405 -0.390 20 0 CBADMP CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001479676880 916150188 /nfs/dbraw/zinc/15/01/88/916150188.db2.gz SYHYZCRUCCGLRR-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001479676880 916150202 /nfs/dbraw/zinc/15/02/02/916150202.db2.gz SYHYZCRUCCGLRR-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP CC[NH+](C)CCOCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001479676880 916150210 /nfs/dbraw/zinc/15/02/10/916150210.db2.gz SYHYZCRUCCGLRR-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP CC[NH+](C)CCOCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001479676880 916150220 /nfs/dbraw/zinc/15/02/20/916150220.db2.gz SYHYZCRUCCGLRR-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001479676881 916151563 /nfs/dbraw/zinc/15/15/63/916151563.db2.gz SYHYZCRUCCGLRR-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001479676881 916151574 /nfs/dbraw/zinc/15/15/74/916151574.db2.gz SYHYZCRUCCGLRR-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001479676881 916151585 /nfs/dbraw/zinc/15/15/85/916151585.db2.gz SYHYZCRUCCGLRR-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001479676881 916151597 /nfs/dbraw/zinc/15/15/97/916151597.db2.gz SYHYZCRUCCGLRR-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001479777086 916173226 /nfs/dbraw/zinc/17/32/26/916173226.db2.gz BXLUEBMRJYNFHV-LBPRGKRZSA-N 2 1 272.393 -0.504 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001479812702 916188101 /nfs/dbraw/zinc/18/81/01/916188101.db2.gz RAXUMERDAWGNOO-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@H]([NH+](C)CCCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001479812702 916188109 /nfs/dbraw/zinc/18/81/09/916188109.db2.gz RAXUMERDAWGNOO-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@H]([NH+](C)CCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001479812702 916188115 /nfs/dbraw/zinc/18/81/15/916188115.db2.gz RAXUMERDAWGNOO-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@H+](CCCNC(=O)Cn1c[nH+]cc1C)[C@H](C)C(N)=O ZINC001479850022 916196808 /nfs/dbraw/zinc/19/68/08/916196808.db2.gz RSNQZFXOBMKBOX-GFCCVEGCSA-N 2 1 295.387 -0.106 20 0 CBADMP CC[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)[C@H](C)C(N)=O ZINC001479850022 916196816 /nfs/dbraw/zinc/19/68/16/916196816.db2.gz RSNQZFXOBMKBOX-GFCCVEGCSA-N 2 1 295.387 -0.106 20 0 CBADMP CC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)CC(=O)NC ZINC001479861326 916197600 /nfs/dbraw/zinc/19/76/00/916197600.db2.gz NMQFXHQNGAWNIQ-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001479967824 916243724 /nfs/dbraw/zinc/24/37/24/916243724.db2.gz MQGOONODOWLOHS-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001479967824 916243740 /nfs/dbraw/zinc/24/37/40/916243740.db2.gz MQGOONODOWLOHS-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001479967824 916243749 /nfs/dbraw/zinc/24/37/49/916243749.db2.gz MQGOONODOWLOHS-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001479967824 916243763 /nfs/dbraw/zinc/24/37/63/916243763.db2.gz MQGOONODOWLOHS-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001479967823 916243977 /nfs/dbraw/zinc/24/39/77/916243977.db2.gz MQGOONODOWLOHS-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001479967823 916243998 /nfs/dbraw/zinc/24/39/98/916243998.db2.gz MQGOONODOWLOHS-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001479967823 916244016 /nfs/dbraw/zinc/24/40/16/916244016.db2.gz MQGOONODOWLOHS-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001479967823 916244036 /nfs/dbraw/zinc/24/40/36/916244036.db2.gz MQGOONODOWLOHS-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCCO)C1CC1 ZINC001480038538 916268750 /nfs/dbraw/zinc/26/87/50/916268750.db2.gz KHQWUBTUXNDZIQ-CHWSQXEVSA-N 2 1 269.389 -0.053 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)CC(N)=O)C1 ZINC001480084389 916283457 /nfs/dbraw/zinc/28/34/57/916283457.db2.gz IEJVDQRYSOSPAR-ZDUSSCGKSA-N 2 1 298.431 -0.016 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001480084389 916283475 /nfs/dbraw/zinc/28/34/75/916283475.db2.gz IEJVDQRYSOSPAR-ZDUSSCGKSA-N 2 1 298.431 -0.016 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001480084389 916283492 /nfs/dbraw/zinc/28/34/92/916283492.db2.gz IEJVDQRYSOSPAR-ZDUSSCGKSA-N 2 1 298.431 -0.016 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001480173433 916316131 /nfs/dbraw/zinc/31/61/31/916316131.db2.gz IWCPPWKFIVZJAO-HAQNSBGRSA-N 2 1 294.403 -0.108 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001480173433 916316152 /nfs/dbraw/zinc/31/61/52/916316152.db2.gz IWCPPWKFIVZJAO-HAQNSBGRSA-N 2 1 294.403 -0.108 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001480168576 916318739 /nfs/dbraw/zinc/31/87/39/916318739.db2.gz PKDYKVDESIGULL-SRVKXCTJSA-N 2 1 284.404 -0.171 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480231906 916336864 /nfs/dbraw/zinc/33/68/64/916336864.db2.gz HVOAEFLORZBVFS-QNWHQSFQSA-N 2 1 296.415 -0.301 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001480233205 916338239 /nfs/dbraw/zinc/33/82/39/916338239.db2.gz WUWVIPWVCVUJPD-AOOOYVTPSA-N 2 1 256.350 -0.950 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001480460870 916422258 /nfs/dbraw/zinc/42/22/58/916422258.db2.gz XZMPSCDYSZHWGN-QWRGUYRKSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ncnn1C ZINC001480475590 916433316 /nfs/dbraw/zinc/43/33/16/916433316.db2.gz RWDWRIVNVODJDB-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1nncn1C ZINC001480536950 916459897 /nfs/dbraw/zinc/45/98/97/916459897.db2.gz KUORDRZOAQELCH-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1nncn1C ZINC001480536950 916459916 /nfs/dbraw/zinc/45/99/16/916459916.db2.gz KUORDRZOAQELCH-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001480566091 916477826 /nfs/dbraw/zinc/47/78/26/916477826.db2.gz QZCHGIZMSXPLHI-MNOVXSKESA-N 2 1 270.377 -0.689 20 0 CBADMP CCOCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001480612329 916495007 /nfs/dbraw/zinc/49/50/07/916495007.db2.gz COZCZGHQBCKLIR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001480612329 916495027 /nfs/dbraw/zinc/49/50/27/916495027.db2.gz COZCZGHQBCKLIR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480621966 916501417 /nfs/dbraw/zinc/50/14/17/916501417.db2.gz IRVDIJAPPVEBTI-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001480739016 916524463 /nfs/dbraw/zinc/52/44/63/916524463.db2.gz KBURZRHTOYOGHV-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001480739016 916524472 /nfs/dbraw/zinc/52/44/72/916524472.db2.gz KBURZRHTOYOGHV-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001480739016 916524480 /nfs/dbraw/zinc/52/44/80/916524480.db2.gz KBURZRHTOYOGHV-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001480739016 916524490 /nfs/dbraw/zinc/52/44/90/916524490.db2.gz KBURZRHTOYOGHV-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480865634 916592530 /nfs/dbraw/zinc/59/25/30/916592530.db2.gz MPOFJOWLRSQUJX-CHWSQXEVSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480865634 916592538 /nfs/dbraw/zinc/59/25/38/916592538.db2.gz MPOFJOWLRSQUJX-CHWSQXEVSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480865638 916597276 /nfs/dbraw/zinc/59/72/76/916597276.db2.gz MPOFJOWLRSQUJX-STQMWFEESA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480865638 916597291 /nfs/dbraw/zinc/59/72/91/916597291.db2.gz MPOFJOWLRSQUJX-STQMWFEESA-N 2 1 296.415 -0.360 20 0 CBADMP CN1CC[C@H]([N@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001480908401 916626464 /nfs/dbraw/zinc/62/64/64/916626464.db2.gz UNIORNGNAASSLA-NSHDSACASA-N 2 1 270.377 -0.783 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001480908401 916626476 /nfs/dbraw/zinc/62/64/76/916626476.db2.gz UNIORNGNAASSLA-NSHDSACASA-N 2 1 270.377 -0.783 20 0 CBADMP C[C@@H](O)C[N@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001480925966 916630039 /nfs/dbraw/zinc/63/00/39/916630039.db2.gz LXFQZFIQFMWNCP-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001480925966 916630050 /nfs/dbraw/zinc/63/00/50/916630050.db2.gz LXFQZFIQFMWNCP-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001480933119 916636010 /nfs/dbraw/zinc/63/60/10/916636010.db2.gz XXIAZSXLICZJFX-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001480933119 916636026 /nfs/dbraw/zinc/63/60/26/916636026.db2.gz XXIAZSXLICZJFX-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001480933119 916636035 /nfs/dbraw/zinc/63/60/35/916636035.db2.gz XXIAZSXLICZJFX-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001480933119 916636046 /nfs/dbraw/zinc/63/60/46/916636046.db2.gz XXIAZSXLICZJFX-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+](C)C[C@H](C)O ZINC001480947126 916650948 /nfs/dbraw/zinc/65/09/48/916650948.db2.gz JAOFBAABZQODDD-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)[C@@H](C)COC)C1 ZINC001480948967 916653042 /nfs/dbraw/zinc/65/30/42/916653042.db2.gz FOLRDJZZRFTSES-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)[C@@H](C)COC)C1 ZINC001480948967 916653051 /nfs/dbraw/zinc/65/30/51/916653051.db2.gz FOLRDJZZRFTSES-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)COC)C1 ZINC001480948967 916653061 /nfs/dbraw/zinc/65/30/61/916653061.db2.gz FOLRDJZZRFTSES-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)COC)C1 ZINC001480948967 916653071 /nfs/dbraw/zinc/65/30/71/916653071.db2.gz FOLRDJZZRFTSES-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@@H+](CCNC(=O)CCC[NH+](C)C)[C@@H]1CCN(C)C1=O ZINC001480995639 916675332 /nfs/dbraw/zinc/67/53/32/916675332.db2.gz AECXLDBKUAVDKX-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CCNC1=O ZINC001481000324 916678664 /nfs/dbraw/zinc/67/86/64/916678664.db2.gz VMDPWCPXYMIQPN-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H]1CCNC1=O ZINC001481000324 916678670 /nfs/dbraw/zinc/67/86/70/916678670.db2.gz VMDPWCPXYMIQPN-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@H]1CCNC1=O ZINC001481000324 916678673 /nfs/dbraw/zinc/67/86/73/916678673.db2.gz VMDPWCPXYMIQPN-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)N1CCC1 ZINC001481016447 916688099 /nfs/dbraw/zinc/68/80/99/916688099.db2.gz LAJXPGDBCCGNFK-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)N1CCC1 ZINC001481016447 916688110 /nfs/dbraw/zinc/68/81/10/916688110.db2.gz LAJXPGDBCCGNFK-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)N1CCC1 ZINC001481016447 916688119 /nfs/dbraw/zinc/68/81/19/916688119.db2.gz LAJXPGDBCCGNFK-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)N1CCC1 ZINC001481016447 916688123 /nfs/dbraw/zinc/68/81/23/916688123.db2.gz LAJXPGDBCCGNFK-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCCNC1=O ZINC001481056546 916696608 /nfs/dbraw/zinc/69/66/08/916696608.db2.gz QYKLISBMYRJWQY-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCOCCO ZINC001481054338 916699765 /nfs/dbraw/zinc/69/97/65/916699765.db2.gz YTGIKGRDGIKJHL-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCOCCO ZINC001481054338 916699774 /nfs/dbraw/zinc/69/97/74/916699774.db2.gz YTGIKGRDGIKJHL-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCOCCO ZINC001481054338 916699783 /nfs/dbraw/zinc/69/97/83/916699783.db2.gz YTGIKGRDGIKJHL-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+](CCCO)C2CC2)C1 ZINC001481163872 916740285 /nfs/dbraw/zinc/74/02/85/916740285.db2.gz YLUJSLNDGPDCMH-ZDUSSCGKSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH+](CCCO)C2CC2)C1 ZINC001481163872 916740289 /nfs/dbraw/zinc/74/02/89/916740289.db2.gz YLUJSLNDGPDCMH-ZDUSSCGKSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCC[N@H+](CCCO)C2CC2)C1 ZINC001481163872 916740298 /nfs/dbraw/zinc/74/02/98/916740298.db2.gz YLUJSLNDGPDCMH-ZDUSSCGKSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCC[N@@H+](CCCO)C2CC2)C1 ZINC001481163872 916740306 /nfs/dbraw/zinc/74/03/06/916740306.db2.gz YLUJSLNDGPDCMH-ZDUSSCGKSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001481641130 916926594 /nfs/dbraw/zinc/92/65/94/916926594.db2.gz LGADQICURXNXHP-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001481656474 916930325 /nfs/dbraw/zinc/93/03/25/916930325.db2.gz UWSBWTGJHLIIIC-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001481656474 916930334 /nfs/dbraw/zinc/93/03/34/916930334.db2.gz UWSBWTGJHLIIIC-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP COCCOCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481700013 916957015 /nfs/dbraw/zinc/95/70/15/916957015.db2.gz ZQLIKDIRYMZESS-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCOCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481700013 916957029 /nfs/dbraw/zinc/95/70/29/916957029.db2.gz ZQLIKDIRYMZESS-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCOCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481700013 916957039 /nfs/dbraw/zinc/95/70/39/916957039.db2.gz ZQLIKDIRYMZESS-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C2)CC1 ZINC001481705239 916960120 /nfs/dbraw/zinc/96/01/20/916960120.db2.gz LMGNXWAIFKSKSR-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481873588 917011469 /nfs/dbraw/zinc/01/14/69/917011469.db2.gz BFHQWJSQCYIVSS-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CC(N)=O)CC1 ZINC001481996869 917029418 /nfs/dbraw/zinc/02/94/18/917029418.db2.gz OAOOGOAXWMOPFU-CYBMUJFWSA-N 2 1 296.415 -0.216 20 0 CBADMP COCCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482087184 917049484 /nfs/dbraw/zinc/04/94/84/917049484.db2.gz IVYIGYILYNTFSL-CHWSQXEVSA-N 2 1 287.404 -0.305 20 0 CBADMP COCCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482087184 917049495 /nfs/dbraw/zinc/04/94/95/917049495.db2.gz IVYIGYILYNTFSL-CHWSQXEVSA-N 2 1 287.404 -0.305 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CCO ZINC001482101063 917053369 /nfs/dbraw/zinc/05/33/69/917053369.db2.gz ALWHSDJXKCDEOO-IJLUTSLNSA-N 2 1 257.378 -0.339 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001482113780 917059929 /nfs/dbraw/zinc/05/99/29/917059929.db2.gz SFTSOUMJDLKNPP-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001482381598 917140914 /nfs/dbraw/zinc/14/09/14/917140914.db2.gz XYTBWPUSEIVCGV-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCCO ZINC001482800644 917290829 /nfs/dbraw/zinc/29/08/29/917290829.db2.gz XDGWXTOLPICOBQ-OLZOCXBDSA-N 2 1 287.404 -0.690 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC(N)=O ZINC001482901024 917328174 /nfs/dbraw/zinc/32/81/74/917328174.db2.gz IKIJTILJHAKHSS-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP CCN(CC[NH2+]CC(=O)N1CCC1)C(=O)C[N@@H+](C)C(C)C ZINC001482970164 917350445 /nfs/dbraw/zinc/35/04/45/917350445.db2.gz ORMGBFBZNNUYHZ-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001483009894 917375844 /nfs/dbraw/zinc/37/58/44/917375844.db2.gz IHCITGPGLFJDLJ-AAOUONPWSA-N 2 1 282.388 -0.394 20 0 CBADMP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483046790 917385928 /nfs/dbraw/zinc/38/59/28/917385928.db2.gz IFOZOHDMWUDZIT-SZZPACECSA-N 2 1 296.415 -0.179 20 0 CBADMP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483046788 917388209 /nfs/dbraw/zinc/38/82/09/917388209.db2.gz IFOZOHDMWUDZIT-GFUIURDCSA-N 2 1 296.415 -0.179 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC/C=C/C[NH2+][C@@H](C)C(N)=O ZINC001483093314 917404178 /nfs/dbraw/zinc/40/41/78/917404178.db2.gz PELCPJRXYIYJDE-FSIBCCDJSA-N 2 1 279.344 -0.673 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C\C[NH2+]CCOC)C1 ZINC001483094965 917405773 /nfs/dbraw/zinc/40/57/73/917405773.db2.gz IJTUJGDWRFDAPD-DSYXLKISSA-N 2 1 285.388 -0.385 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC/C=C\C[NH2+]CCOC)C1 ZINC001483094965 917405779 /nfs/dbraw/zinc/40/57/79/917405779.db2.gz IJTUJGDWRFDAPD-DSYXLKISSA-N 2 1 285.388 -0.385 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC/C=C/C[NH2+][C@H](C)C(N)=O ZINC001483093319 917405806 /nfs/dbraw/zinc/40/58/06/917405806.db2.gz PELCPJRXYIYJDE-HMDXOVGESA-N 2 1 279.344 -0.673 20 0 CBADMP C[C@H](C[NH2+]CCn1cncn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001483166372 917448274 /nfs/dbraw/zinc/44/82/74/917448274.db2.gz GUIHWJUTEDBHDP-QWHCGFSZSA-N 2 1 294.403 -0.286 20 0 CBADMP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001483255902 917496219 /nfs/dbraw/zinc/49/62/19/917496219.db2.gz PPARWTBHMJUGTJ-QJPTWQEYSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001483421005 917555451 /nfs/dbraw/zinc/55/54/51/917555451.db2.gz ORXIWZWMZLVNLB-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483407038 917560332 /nfs/dbraw/zinc/56/03/32/917560332.db2.gz LBBYMJHMUDWXPF-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483407038 917560340 /nfs/dbraw/zinc/56/03/40/917560340.db2.gz LBBYMJHMUDWXPF-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1CCO)C1CCC1 ZINC001483655733 917627688 /nfs/dbraw/zinc/62/76/88/917627688.db2.gz SDVBXZBTDQTMOU-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H]1CC[NH+]1CCO)C1CCC1 ZINC001483655733 917627698 /nfs/dbraw/zinc/62/76/98/917627698.db2.gz SDVBXZBTDQTMOU-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](CC(=O)NC[C@H]1CC[N@@H+]1CCO)C1CCC1 ZINC001483655733 917627705 /nfs/dbraw/zinc/62/77/05/917627705.db2.gz SDVBXZBTDQTMOU-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](CC(=O)NC[C@H]1CC[N@H+]1CCO)C1CCC1 ZINC001483655733 917627712 /nfs/dbraw/zinc/62/77/12/917627712.db2.gz SDVBXZBTDQTMOU-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001483683388 917635698 /nfs/dbraw/zinc/63/56/98/917635698.db2.gz ZJETXOSBMYAHCO-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2CCCO)C1 ZINC001483683388 917635711 /nfs/dbraw/zinc/63/57/11/917635711.db2.gz ZJETXOSBMYAHCO-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2CCCO)C1 ZINC001483683388 917635725 /nfs/dbraw/zinc/63/57/25/917635725.db2.gz ZJETXOSBMYAHCO-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CC[N@H+]1CCCO ZINC001483687414 917637749 /nfs/dbraw/zinc/63/77/49/917637749.db2.gz HUSGPKXMTIZDED-CYBMUJFWSA-N 2 1 285.388 -0.718 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+]1CCCO ZINC001483687414 917637755 /nfs/dbraw/zinc/63/77/55/917637755.db2.gz HUSGPKXMTIZDED-CYBMUJFWSA-N 2 1 285.388 -0.718 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2CCOCCO)C1 ZINC001483695160 917640179 /nfs/dbraw/zinc/64/01/79/917640179.db2.gz PGBDUKUQTQXCPQ-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2CCOCCO)C1 ZINC001483695160 917640191 /nfs/dbraw/zinc/64/01/91/917640191.db2.gz PGBDUKUQTQXCPQ-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CC[N@@H+]2CCOCCO)C1 ZINC001483695160 917640206 /nfs/dbraw/zinc/64/02/06/917640206.db2.gz PGBDUKUQTQXCPQ-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CC[N@H+]2CCOCCO)C1 ZINC001483695160 917640217 /nfs/dbraw/zinc/64/02/17/917640217.db2.gz PGBDUKUQTQXCPQ-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CCN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001483790242 917681552 /nfs/dbraw/zinc/68/15/52/917681552.db2.gz CVAMHDZASKCMHL-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]CCO)C1 ZINC001483951656 917712167 /nfs/dbraw/zinc/71/21/67/917712167.db2.gz CHHPYYLEWDNDQS-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001484166810 917744224 /nfs/dbraw/zinc/74/42/24/917744224.db2.gz LVZUIVNMJHZELD-OAHLLOKOSA-N 2 1 298.431 -0.098 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001484235515 917779704 /nfs/dbraw/zinc/77/97/04/917779704.db2.gz JSGCGLLHLHHLLU-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001484235515 917779709 /nfs/dbraw/zinc/77/97/09/917779709.db2.gz JSGCGLLHLHHLLU-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001484235515 917779719 /nfs/dbraw/zinc/77/97/19/917779719.db2.gz JSGCGLLHLHHLLU-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484250195 917793164 /nfs/dbraw/zinc/79/31/64/917793164.db2.gz DBBNOZFRQGVXBT-CYBMUJFWSA-N 2 1 255.362 -0.345 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001484368141 917836518 /nfs/dbraw/zinc/83/65/18/917836518.db2.gz BUMLWMAWSPQTNM-NEPJUHHUSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCO)C2)C1 ZINC001484551722 917887299 /nfs/dbraw/zinc/88/72/99/917887299.db2.gz OQQXEQJQIBRWIF-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCO)C2)C1 ZINC001484551722 917887310 /nfs/dbraw/zinc/88/73/10/917887310.db2.gz OQQXEQJQIBRWIF-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC001484671487 917914599 /nfs/dbraw/zinc/91/45/99/917914599.db2.gz PEAFYFWCAUEFAA-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001485076944 917989985 /nfs/dbraw/zinc/98/99/85/917989985.db2.gz PXRFINPYOPDKMH-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001485076944 917989995 /nfs/dbraw/zinc/98/99/95/917989995.db2.gz PXRFINPYOPDKMH-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[N@H+](C)CCO ZINC001485362476 918093581 /nfs/dbraw/zinc/09/35/81/918093581.db2.gz ACGVMJSJTBJARN-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[N@@H+](C)CCO ZINC001485362476 918093599 /nfs/dbraw/zinc/09/35/99/918093599.db2.gz ACGVMJSJTBJARN-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)N1CCC1 ZINC001485382028 918097677 /nfs/dbraw/zinc/09/76/77/918097677.db2.gz BQEBZDKKUYALMR-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)N1CCC1 ZINC001485382028 918097716 /nfs/dbraw/zinc/09/77/16/918097716.db2.gz BQEBZDKKUYALMR-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)N1CCC1 ZINC001485382028 918097729 /nfs/dbraw/zinc/09/77/29/918097729.db2.gz BQEBZDKKUYALMR-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)N1CCC1 ZINC001485382028 918097740 /nfs/dbraw/zinc/09/77/40/918097740.db2.gz BQEBZDKKUYALMR-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)C(=O)NC ZINC001485369549 918100310 /nfs/dbraw/zinc/10/03/10/918100310.db2.gz KAUDCMYCCXJZIC-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)C(=O)NC ZINC001485369549 918100329 /nfs/dbraw/zinc/10/03/29/918100329.db2.gz KAUDCMYCCXJZIC-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(=O)NC ZINC001485369549 918100337 /nfs/dbraw/zinc/10/03/37/918100337.db2.gz KAUDCMYCCXJZIC-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(=O)NC ZINC001485369549 918100352 /nfs/dbraw/zinc/10/03/52/918100352.db2.gz KAUDCMYCCXJZIC-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCO)C1 ZINC001485531762 918140092 /nfs/dbraw/zinc/14/00/92/918140092.db2.gz BMRAWAFFISUXBB-NWDGAFQWSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485556671 918143554 /nfs/dbraw/zinc/14/35/54/918143554.db2.gz WFRDEZNGNHJDAI-HIFRSBDPSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485556671 918143562 /nfs/dbraw/zinc/14/35/62/918143562.db2.gz WFRDEZNGNHJDAI-HIFRSBDPSA-N 2 1 299.415 -0.378 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@]2(C1)C[NH+](CCO)CCO2 ZINC001485559399 918144754 /nfs/dbraw/zinc/14/47/54/918144754.db2.gz XAFDWAWVPIXONN-OAHLLOKOSA-N 2 1 299.415 -0.376 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@]2(C1)C[NH+](CCO)CCO2 ZINC001485559399 918144765 /nfs/dbraw/zinc/14/47/65/918144765.db2.gz XAFDWAWVPIXONN-OAHLLOKOSA-N 2 1 299.415 -0.376 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC001485559399 918144770 /nfs/dbraw/zinc/14/47/70/918144770.db2.gz XAFDWAWVPIXONN-OAHLLOKOSA-N 2 1 299.415 -0.376 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC001485559399 918144780 /nfs/dbraw/zinc/14/47/80/918144780.db2.gz XAFDWAWVPIXONN-OAHLLOKOSA-N 2 1 299.415 -0.376 20 0 CBADMP COCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485715521 918174627 /nfs/dbraw/zinc/17/46/27/918174627.db2.gz AQLWMNSVTXEQPF-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP COCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485715521 918174632 /nfs/dbraw/zinc/17/46/32/918174632.db2.gz AQLWMNSVTXEQPF-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001485947071 918238438 /nfs/dbraw/zinc/23/84/38/918238438.db2.gz LRTZCDMBLQQEKR-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1cnn(C)n1 ZINC001485955036 918240092 /nfs/dbraw/zinc/24/00/92/918240092.db2.gz CYAYMJVAECVTTC-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnon1 ZINC001485955740 918240966 /nfs/dbraw/zinc/24/09/66/918240966.db2.gz QDVRKJSJJRTXFZ-MNOVXSKESA-N 2 1 281.360 -0.042 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnon1 ZINC001485955740 918240982 /nfs/dbraw/zinc/24/09/82/918240982.db2.gz QDVRKJSJJRTXFZ-MNOVXSKESA-N 2 1 281.360 -0.042 20 0 CBADMP CC(C)OCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001485983714 918274191 /nfs/dbraw/zinc/27/41/91/918274191.db2.gz VJFSLFONHKYLGU-STQMWFEESA-N 2 1 287.404 -0.428 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC ZINC001486002013 918296007 /nfs/dbraw/zinc/29/60/07/918296007.db2.gz LMJGQRNOHFBCFI-VXGBXAGGSA-N 2 1 257.378 -0.053 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001486017255 918309344 /nfs/dbraw/zinc/30/93/44/918309344.db2.gz RDVVKOISMLTFGU-LBPRGKRZSA-N 2 1 266.345 -0.332 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001486024667 918319944 /nfs/dbraw/zinc/31/99/44/918319944.db2.gz SOOHPUPTRMYPAG-NWDGAFQWSA-N 2 1 255.362 -0.443 20 0 CBADMP C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CC[NH+](C)C ZINC001486084991 918359915 /nfs/dbraw/zinc/35/99/15/918359915.db2.gz NYPFJNBVEBXFOX-MNOVXSKESA-N 2 1 295.391 -0.759 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001486203613 918380702 /nfs/dbraw/zinc/38/07/02/918380702.db2.gz ZVYKPWOEWSIDGA-NWDGAFQWSA-N 2 1 296.415 -0.170 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001486220094 918385726 /nfs/dbraw/zinc/38/57/26/918385726.db2.gz XNQVLNPJGSACRK-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001486297466 918414979 /nfs/dbraw/zinc/41/49/79/918414979.db2.gz SVIOPBDAUVWJPN-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001486329220 918438219 /nfs/dbraw/zinc/43/82/19/918438219.db2.gz VRHAYHGZRYGPRV-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001486329220 918438222 /nfs/dbraw/zinc/43/82/22/918438222.db2.gz VRHAYHGZRYGPRV-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001486329220 918438228 /nfs/dbraw/zinc/43/82/28/918438228.db2.gz VRHAYHGZRYGPRV-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP CC(C)[NH2+]CCOCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001486493395 918472415 /nfs/dbraw/zinc/47/24/15/918472415.db2.gz WUZXTNZQGCSXQL-CYBMUJFWSA-N 2 1 287.404 -0.210 20 0 CBADMP CC(C)[NH2+]CCOCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001486493395 918472424 /nfs/dbraw/zinc/47/24/24/918472424.db2.gz WUZXTNZQGCSXQL-CYBMUJFWSA-N 2 1 287.404 -0.210 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001489320045 918813740 /nfs/dbraw/zinc/81/37/40/918813740.db2.gz NUMYUPHRVZBQFZ-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001489320045 918813743 /nfs/dbraw/zinc/81/37/43/918813743.db2.gz NUMYUPHRVZBQFZ-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001489320045 918813748 /nfs/dbraw/zinc/81/37/48/918813748.db2.gz NUMYUPHRVZBQFZ-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001489320045 918813751 /nfs/dbraw/zinc/81/37/51/918813751.db2.gz NUMYUPHRVZBQFZ-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC(=O)NC)CC[N@H+]1C ZINC001490196734 918861537 /nfs/dbraw/zinc/86/15/37/918861537.db2.gz QMCJXCYNODYXJD-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](C)CC(=O)NC)CC[NH+]1C ZINC001490196734 918861554 /nfs/dbraw/zinc/86/15/54/918861554.db2.gz QMCJXCYNODYXJD-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](C)CC(=O)NC)CC[NH+]1C ZINC001490196734 918861568 /nfs/dbraw/zinc/86/15/68/918861568.db2.gz QMCJXCYNODYXJD-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001490244839 918875144 /nfs/dbraw/zinc/87/51/44/918875144.db2.gz XVJJBADOMUIAOI-CYBMUJFWSA-N 2 1 286.420 -0.243 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001490245179 918879733 /nfs/dbraw/zinc/87/97/33/918879733.db2.gz LVMGBQXLAYQFOT-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001490279528 918882444 /nfs/dbraw/zinc/88/24/44/918882444.db2.gz IRXCDVLDSJAPRN-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCNC1=O ZINC001490279528 918882451 /nfs/dbraw/zinc/88/24/51/918882451.db2.gz IRXCDVLDSJAPRN-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC001490279528 918882459 /nfs/dbraw/zinc/88/24/59/918882459.db2.gz IRXCDVLDSJAPRN-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001490271766 918882857 /nfs/dbraw/zinc/88/28/57/918882857.db2.gz OGKVYXBVQLNHAO-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC001490318899 918892435 /nfs/dbraw/zinc/89/24/35/918892435.db2.gz STSHNXPQIJTZIW-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)N(C)C ZINC001490318899 918892449 /nfs/dbraw/zinc/89/24/49/918892449.db2.gz STSHNXPQIJTZIW-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)N(C)C ZINC001490318899 918892460 /nfs/dbraw/zinc/89/24/60/918892460.db2.gz STSHNXPQIJTZIW-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490356617 918897405 /nfs/dbraw/zinc/89/74/05/918897405.db2.gz JDOIFESRYQLOME-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+](CC)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001490356617 918897420 /nfs/dbraw/zinc/89/74/20/918897420.db2.gz JDOIFESRYQLOME-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+](CC)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001490356617 918897432 /nfs/dbraw/zinc/89/74/32/918897432.db2.gz JDOIFESRYQLOME-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCOCCO)C2)C1 ZINC001490576698 918941768 /nfs/dbraw/zinc/94/17/68/918941768.db2.gz BJKTUWJAQRQBCS-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CCOCCO)C2)C1 ZINC001490576698 918941775 /nfs/dbraw/zinc/94/17/75/918941775.db2.gz BJKTUWJAQRQBCS-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)C1 ZINC001490576698 918941788 /nfs/dbraw/zinc/94/17/88/918941788.db2.gz BJKTUWJAQRQBCS-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001491130990 919047766 /nfs/dbraw/zinc/04/77/66/919047766.db2.gz SMDMYHRXHAYOFW-CYBMUJFWSA-N 2 1 269.389 -0.097 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC1CCOCC1 ZINC001491419977 919149486 /nfs/dbraw/zinc/14/94/86/919149486.db2.gz AOZLGXLHBFSFKR-TZMCWYRMSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC1CCOCC1 ZINC001491419977 919149491 /nfs/dbraw/zinc/14/94/91/919149491.db2.gz AOZLGXLHBFSFKR-TZMCWYRMSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCNC(=O)[C@H]1CCC[NH+]1C ZINC001491502454 919185706 /nfs/dbraw/zinc/18/57/06/919185706.db2.gz VUJCDVNWTPWYBJ-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001491502454 919185717 /nfs/dbraw/zinc/18/57/17/919185717.db2.gz VUJCDVNWTPWYBJ-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001491529405 919194866 /nfs/dbraw/zinc/19/48/66/919194866.db2.gz RASAPUWAPBSXFD-KOLCDFICSA-N 2 1 279.344 -0.826 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1nnnn1C ZINC001491570199 919210894 /nfs/dbraw/zinc/21/08/94/919210894.db2.gz YZTYCOBKOOHPMZ-UWVGGRQHSA-N 2 1 283.380 -0.683 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001491580605 919215638 /nfs/dbraw/zinc/21/56/38/919215638.db2.gz VNMRHWPWHHGBLT-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001491580605 919215653 /nfs/dbraw/zinc/21/56/53/919215653.db2.gz VNMRHWPWHHGBLT-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]CCCO ZINC001491672480 919249915 /nfs/dbraw/zinc/24/99/15/919249915.db2.gz AVECRJHJNUQLNR-SNVBAGLBSA-N 2 1 254.334 -0.332 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cncn1C ZINC001491674242 919250236 /nfs/dbraw/zinc/25/02/36/919250236.db2.gz SXJCKFGGEMWUNS-VXGBXAGGSA-N 2 1 279.388 -0.034 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001491672256 919251465 /nfs/dbraw/zinc/25/14/65/919251465.db2.gz GBMWBZPRAPKVQT-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCCOC)C2)C1 ZINC001491773406 919272962 /nfs/dbraw/zinc/27/29/62/919272962.db2.gz DOGPWZWIVBBOKU-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCCOC)C2)C1 ZINC001491773406 919272980 /nfs/dbraw/zinc/27/29/80/919272980.db2.gz DOGPWZWIVBBOKU-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CCCO)C2)C1 ZINC001491795129 919282240 /nfs/dbraw/zinc/28/22/40/919282240.db2.gz PMKJBRQVVCNCEL-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CCCO)C2)C1 ZINC001491795129 919282257 /nfs/dbraw/zinc/28/22/57/919282257.db2.gz PMKJBRQVVCNCEL-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001491856339 919291784 /nfs/dbraw/zinc/29/17/84/919291784.db2.gz LTGUZAVCIGVFAM-JQWIXIFHSA-N 2 1 293.371 -0.497 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001492128460 919326724 /nfs/dbraw/zinc/32/67/24/919326724.db2.gz UNAIBTULTCKZKB-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001492128412 919327770 /nfs/dbraw/zinc/32/77/70/919327770.db2.gz SSGALYXSDVCAHA-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CN1CCO[C@H](C(=O)NCC[N@@H+](C)C[C@H]2CCCOC2)C1 ZINC001492220157 919360757 /nfs/dbraw/zinc/36/07/57/919360757.db2.gz DNMQWMAYDZGJGN-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@H]1CCCOC1 ZINC001492220157 919360783 /nfs/dbraw/zinc/36/07/83/919360783.db2.gz DNMQWMAYDZGJGN-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@H]1CCCOC1 ZINC001492220157 919360805 /nfs/dbraw/zinc/36/08/05/919360805.db2.gz DNMQWMAYDZGJGN-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C[C@H]1CCCOC1 ZINC001492220157 919360812 /nfs/dbraw/zinc/36/08/12/919360812.db2.gz DNMQWMAYDZGJGN-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@H]1CCCOC1 ZINC001492220157 919360829 /nfs/dbraw/zinc/36/08/29/919360829.db2.gz DNMQWMAYDZGJGN-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)[C@H]1CCNC1=O ZINC001492279475 919383530 /nfs/dbraw/zinc/38/35/30/919383530.db2.gz DYDUOMMHPHJOSY-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)[C@H]1CCNC1=O ZINC001492279475 919383544 /nfs/dbraw/zinc/38/35/44/919383544.db2.gz DYDUOMMHPHJOSY-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CC(=O)NCC[N@H+](C)[C@H]1CCNC1=O)C1CCC1 ZINC001492279475 919383558 /nfs/dbraw/zinc/38/35/58/919383558.db2.gz DYDUOMMHPHJOSY-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O)C1CCC1 ZINC001492279475 919383572 /nfs/dbraw/zinc/38/35/72/919383572.db2.gz DYDUOMMHPHJOSY-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001492388567 919408238 /nfs/dbraw/zinc/40/82/38/919408238.db2.gz FDXSUXQWQLKIQL-SNVBAGLBSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001492388567 919408244 /nfs/dbraw/zinc/40/82/44/919408244.db2.gz FDXSUXQWQLKIQL-SNVBAGLBSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)[C@@H]2CCCNC2=O)C1 ZINC001492422979 919412260 /nfs/dbraw/zinc/41/22/60/919412260.db2.gz KODRYINYOYNGAS-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)[C@@H]2CCCNC2=O)C1 ZINC001492422979 919412268 /nfs/dbraw/zinc/41/22/68/919412268.db2.gz KODRYINYOYNGAS-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001492422979 919412276 /nfs/dbraw/zinc/41/22/76/919412276.db2.gz KODRYINYOYNGAS-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001492422979 919412282 /nfs/dbraw/zinc/41/22/82/919412282.db2.gz KODRYINYOYNGAS-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)CCCO)C1 ZINC001492420995 919415049 /nfs/dbraw/zinc/41/50/49/919415049.db2.gz FUCWXBIKXRXSNF-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)CCCO)C1 ZINC001492420995 919415056 /nfs/dbraw/zinc/41/50/56/919415056.db2.gz FUCWXBIKXRXSNF-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)CCCO)C1 ZINC001492420995 919415066 /nfs/dbraw/zinc/41/50/66/919415066.db2.gz FUCWXBIKXRXSNF-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001493059065 919473855 /nfs/dbraw/zinc/47/38/55/919473855.db2.gz VEAFKGPVFIGGBQ-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493059065 919473868 /nfs/dbraw/zinc/47/38/68/919473868.db2.gz VEAFKGPVFIGGBQ-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001493059065 919473876 /nfs/dbraw/zinc/47/38/76/919473876.db2.gz VEAFKGPVFIGGBQ-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001493132976 919483030 /nfs/dbraw/zinc/48/30/30/919483030.db2.gz OZHZJQAHSYQXDW-JTQLQIEISA-N 2 1 256.350 -0.996 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001493132976 919483035 /nfs/dbraw/zinc/48/30/35/919483035.db2.gz OZHZJQAHSYQXDW-JTQLQIEISA-N 2 1 256.350 -0.996 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001493157038 919489126 /nfs/dbraw/zinc/48/91/26/919489126.db2.gz VDZJBRZIZUWBHI-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001493157038 919489136 /nfs/dbraw/zinc/48/91/36/919489136.db2.gz VDZJBRZIZUWBHI-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001493157038 919489144 /nfs/dbraw/zinc/48/91/44/919489144.db2.gz VDZJBRZIZUWBHI-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001493157038 919489148 /nfs/dbraw/zinc/48/91/48/919489148.db2.gz VDZJBRZIZUWBHI-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493235099 919507245 /nfs/dbraw/zinc/50/72/45/919507245.db2.gz VDJUWDKZBMXNJO-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](CCO)C1 ZINC001493267539 919512172 /nfs/dbraw/zinc/51/21/72/919512172.db2.gz RGFCQUKPHCEBTO-GFCCVEGCSA-N 2 1 257.378 -0.243 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001493267539 919512183 /nfs/dbraw/zinc/51/21/83/919512183.db2.gz RGFCQUKPHCEBTO-GFCCVEGCSA-N 2 1 257.378 -0.243 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001493267539 919512191 /nfs/dbraw/zinc/51/21/91/919512191.db2.gz RGFCQUKPHCEBTO-GFCCVEGCSA-N 2 1 257.378 -0.243 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC ZINC001493291784 919519206 /nfs/dbraw/zinc/51/92/06/919519206.db2.gz VJPNPRPJOVMMBN-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC ZINC001493291784 919519214 /nfs/dbraw/zinc/51/92/14/919519214.db2.gz VJPNPRPJOVMMBN-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)NC ZINC001493291784 919519226 /nfs/dbraw/zinc/51/92/26/919519226.db2.gz VJPNPRPJOVMMBN-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)NC ZINC001493291784 919519238 /nfs/dbraw/zinc/51/92/38/919519238.db2.gz VJPNPRPJOVMMBN-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001493436319 919546475 /nfs/dbraw/zinc/54/64/75/919546475.db2.gz SGNRPESLQVLELH-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001493436319 919546485 /nfs/dbraw/zinc/54/64/85/919546485.db2.gz SGNRPESLQVLELH-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001493436319 919546500 /nfs/dbraw/zinc/54/65/00/919546500.db2.gz SGNRPESLQVLELH-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001493436319 919546517 /nfs/dbraw/zinc/54/65/17/919546517.db2.gz SGNRPESLQVLELH-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(CC[NH2+]CC(=O)N1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001493500486 919562623 /nfs/dbraw/zinc/56/26/23/919562623.db2.gz OMNMMQOLSKIGBD-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CN(CC[NH2+]CCOCC1CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001493507956 919565186 /nfs/dbraw/zinc/56/51/86/919565186.db2.gz LIVHMCLZOATZJM-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CC[NH2+]CCOCC1CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001493507956 919565195 /nfs/dbraw/zinc/56/51/95/919565195.db2.gz LIVHMCLZOATZJM-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP CCCNC(=O)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001493761444 919617471 /nfs/dbraw/zinc/61/74/71/919617471.db2.gz KHPGWVPSONXJQU-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]CC(=O)NC1CC1 ZINC001493806859 919624143 /nfs/dbraw/zinc/62/41/43/919624143.db2.gz QRMQNWGDRAHDHB-UHFFFAOYSA-N 2 1 284.404 -0.347 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1C[NH+](C[C@H](C)O)C1 ZINC001494626521 919752434 /nfs/dbraw/zinc/75/24/34/919752434.db2.gz XTAKTFPNPNANNH-JTQLQIEISA-N 2 1 266.345 -0.380 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](C[C@H](C)O)C1 ZINC001494633806 919757470 /nfs/dbraw/zinc/75/74/70/919757470.db2.gz UWHMXTOVMRWMSF-NSHDSACASA-N 2 1 257.378 -0.245 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001495577669 919906472 /nfs/dbraw/zinc/90/64/72/919906472.db2.gz JLTKOYGKSOOYRQ-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]CCCO ZINC001495636258 919917257 /nfs/dbraw/zinc/91/72/57/919917257.db2.gz XILJNORYRYONAC-RYUDHWBXSA-N 2 1 273.377 -0.959 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]CCCO ZINC001495636258 919917264 /nfs/dbraw/zinc/91/72/64/919917264.db2.gz XILJNORYRYONAC-RYUDHWBXSA-N 2 1 273.377 -0.959 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+][C@H]1CCNC1=O ZINC001495682550 919928485 /nfs/dbraw/zinc/92/84/85/919928485.db2.gz FKEFLWBPMMYACQ-AAEUAGOBSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)C[NH2+]CC(N)=O ZINC001495696231 919929320 /nfs/dbraw/zinc/92/93/20/919929320.db2.gz OXSSMXRHLBHLGH-SECBINFHSA-N 2 1 297.359 -0.823 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001495816255 919953375 /nfs/dbraw/zinc/95/33/75/919953375.db2.gz SDXCBHHAYCKMCD-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001496055424 920021031 /nfs/dbraw/zinc/02/10/31/920021031.db2.gz LRGQXZGJZNCQDF-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C[NH2+][C@@H](C)c1nnnn1C)N(C)C(=O)CC[NH+](C)C ZINC001496149589 920034588 /nfs/dbraw/zinc/03/45/88/920034588.db2.gz MPRJBLVHOKWECY-MNOVXSKESA-N 2 1 297.407 -0.341 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001496210084 920041395 /nfs/dbraw/zinc/04/13/95/920041395.db2.gz OROURGADKRJIKO-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001496210085 920041821 /nfs/dbraw/zinc/04/18/21/920041821.db2.gz OROURGADKRJIKO-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH2+]C[C@H](O)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001497053585 920233309 /nfs/dbraw/zinc/23/33/09/920233309.db2.gz JSUYFTGXEFTECM-NSHDSACASA-N 2 1 296.371 -0.029 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)[C@@H]1CCC[N@H+]1C ZINC001497363047 920292473 /nfs/dbraw/zinc/29/24/73/920292473.db2.gz YEGDGKMSKMLYIT-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCN(CC[NH2+][C@@H](C)COC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001497368293 920294321 /nfs/dbraw/zinc/29/43/21/920294321.db2.gz XKCFBZILOVUWCI-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CCN(CC[NH2+][C@@H](C)COC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001497368293 920294336 /nfs/dbraw/zinc/29/43/36/920294336.db2.gz XKCFBZILOVUWCI-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497495400 920311799 /nfs/dbraw/zinc/31/17/99/920311799.db2.gz GTQKMGUFWNJHOB-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497495399 920313553 /nfs/dbraw/zinc/31/35/53/920313553.db2.gz GTQKMGUFWNJHOB-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001497484194 920313618 /nfs/dbraw/zinc/31/36/18/920313618.db2.gz JCGBZNAWZIIQBD-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001497651843 920361979 /nfs/dbraw/zinc/36/19/79/920361979.db2.gz ZOAWAPAAGGWWKC-DSYXLKISSA-N 2 1 296.415 -0.131 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001497940068 920424320 /nfs/dbraw/zinc/42/43/20/920424320.db2.gz IHINKFRBUXDIDT-MNOVXSKESA-N 2 1 295.387 -0.060 20 0 CBADMP Cc1nnc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001497984292 920432868 /nfs/dbraw/zinc/43/28/68/920432868.db2.gz YGVGQSVSTRLCNZ-MWLCHTKSSA-N 2 1 280.376 -0.341 20 0 CBADMP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001497984292 920432880 /nfs/dbraw/zinc/43/28/80/920432880.db2.gz YGVGQSVSTRLCNZ-MWLCHTKSSA-N 2 1 280.376 -0.341 20 0 CBADMP C[C@H](CNCc1cnon1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497983592 920433021 /nfs/dbraw/zinc/43/30/21/920433021.db2.gz HXLFOCPKWHBESG-NXEZZACHSA-N 2 1 267.333 -0.384 20 0 CBADMP C[C@H](C[NH2+]Cc1cnon1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497983592 920433028 /nfs/dbraw/zinc/43/30/28/920433028.db2.gz HXLFOCPKWHBESG-NXEZZACHSA-N 2 1 267.333 -0.384 20 0 CBADMP C[C@H](C[NH2+]Cc1cnon1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497983592 920433037 /nfs/dbraw/zinc/43/30/37/920433037.db2.gz HXLFOCPKWHBESG-NXEZZACHSA-N 2 1 267.333 -0.384 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001498153857 920503223 /nfs/dbraw/zinc/50/32/23/920503223.db2.gz TUDYRLOTCQQDSW-QWRGUYRKSA-N 2 1 298.387 -0.772 20 0 CBADMP CC[NH+](CC)CC(=O)NC1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001498195348 920514772 /nfs/dbraw/zinc/51/47/72/920514772.db2.gz KAYJTWPKEBXEAQ-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001498197891 920517047 /nfs/dbraw/zinc/51/70/47/920517047.db2.gz ZHPQKMWBZVOECF-NSHDSACASA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)C[NH+](C)C1CCC1 ZINC001498314421 920550142 /nfs/dbraw/zinc/55/01/42/920550142.db2.gz SMNPCIUVAOMQIE-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)C[NH+](C)C1CCC1 ZINC001498314421 920550152 /nfs/dbraw/zinc/55/01/52/920550152.db2.gz SMNPCIUVAOMQIE-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[NH+](C)[C@H]1CCNC1=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001498314421 920550164 /nfs/dbraw/zinc/55/01/64/920550164.db2.gz SMNPCIUVAOMQIE-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[NH+](C)[C@H]1CCNC1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001498314421 920550176 /nfs/dbraw/zinc/55/01/76/920550176.db2.gz SMNPCIUVAOMQIE-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001498369396 920565633 /nfs/dbraw/zinc/56/56/33/920565633.db2.gz MWBGVDIKZGFODX-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001498369396 920565649 /nfs/dbraw/zinc/56/56/49/920565649.db2.gz MWBGVDIKZGFODX-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CCN1CC[C@@H]([N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001498394687 920572004 /nfs/dbraw/zinc/57/20/04/920572004.db2.gz LGHOVPONOSHFKI-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[N@@H+](C)CCn1cncn1)NC(=O)Cc1ncc[nH]1 ZINC001498416973 920576893 /nfs/dbraw/zinc/57/68/93/920576893.db2.gz ZNQZKSAGRUWEAO-NSHDSACASA-N 2 1 291.359 -0.320 20 0 CBADMP CN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001498568824 920610062 /nfs/dbraw/zinc/61/00/62/920610062.db2.gz ZYMWRBQGQRRMTF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH2+]CCO)C1CC1 ZINC001498878255 920653239 /nfs/dbraw/zinc/65/32/39/920653239.db2.gz ZQMSOZXZRSIFJL-LBPRGKRZSA-N 2 1 257.378 -0.197 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCOCCO)CC1 ZINC001499049594 920688162 /nfs/dbraw/zinc/68/81/62/920688162.db2.gz JAQMGUVUEMZQMI-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCOCCO)CC1 ZINC001499049594 920688175 /nfs/dbraw/zinc/68/81/75/920688175.db2.gz JAQMGUVUEMZQMI-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCC(OCC(=O)NC[C@H]2CC[N@@H+]2CCO)CC1 ZINC001499089263 920696940 /nfs/dbraw/zinc/69/69/40/920696940.db2.gz HSUIRPNJERGXFJ-GFCCVEGCSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCC(OCC(=O)NC[C@H]2CC[N@H+]2CCO)CC1 ZINC001499089263 920696946 /nfs/dbraw/zinc/69/69/46/920696946.db2.gz HSUIRPNJERGXFJ-GFCCVEGCSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001499183932 920715153 /nfs/dbraw/zinc/71/51/53/920715153.db2.gz NBVWLIANYBWBOX-NEPJUHHUSA-N 2 1 294.399 -0.402 20 0 CBADMP CCOCCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001499188901 920720221 /nfs/dbraw/zinc/72/02/21/920720221.db2.gz FXAOMWPXLWJPTB-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP CCOCCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001499188901 920720231 /nfs/dbraw/zinc/72/02/31/920720231.db2.gz FXAOMWPXLWJPTB-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001499448869 920747471 /nfs/dbraw/zinc/74/74/71/920747471.db2.gz VTVMJBVAEHWZES-VHSXEESVSA-N 2 1 268.361 -0.950 20 0 CBADMP CC[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001499448931 920749022 /nfs/dbraw/zinc/74/90/22/920749022.db2.gz XMAZICCKNPBRJD-MNOVXSKESA-N 2 1 282.388 -0.560 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@@H](C)COC)CC2)C1 ZINC001499454980 920749264 /nfs/dbraw/zinc/74/92/64/920749264.db2.gz CCHCRTDTDZWBDT-STQMWFEESA-N 2 1 299.415 -0.020 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@@H](C)COC)CC2)C1 ZINC001499454980 920749271 /nfs/dbraw/zinc/74/92/71/920749271.db2.gz CCHCRTDTDZWBDT-STQMWFEESA-N 2 1 299.415 -0.020 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001499901659 920782034 /nfs/dbraw/zinc/78/20/34/920782034.db2.gz QLRRRMHMMHMWOW-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001500259049 920823179 /nfs/dbraw/zinc/82/31/79/920823179.db2.gz ZMZGJQPUVJFCCJ-DOMZBBRYSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+]1CCC(CC(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)CC1 ZINC001500735863 920875423 /nfs/dbraw/zinc/87/54/23/920875423.db2.gz ILLOPQXTDKWCHN-OAHLLOKOSA-N 2 1 299.415 -0.736 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CCCO)C1 ZINC001500767276 920880652 /nfs/dbraw/zinc/88/06/52/920880652.db2.gz YKPAZYWPOQOHIB-AWEZNQCLSA-N 2 1 287.404 -0.738 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001500767276 920880657 /nfs/dbraw/zinc/88/06/57/920880657.db2.gz YKPAZYWPOQOHIB-AWEZNQCLSA-N 2 1 287.404 -0.738 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001500767276 920880663 /nfs/dbraw/zinc/88/06/63/920880663.db2.gz YKPAZYWPOQOHIB-AWEZNQCLSA-N 2 1 287.404 -0.738 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001501400906 920996899 /nfs/dbraw/zinc/99/68/99/920996899.db2.gz ZYYDKGABSKIAHV-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001501400906 920996918 /nfs/dbraw/zinc/99/69/18/920996918.db2.gz ZYYDKGABSKIAHV-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]CCC2CC2)C1 ZINC001501445873 921013497 /nfs/dbraw/zinc/01/34/97/921013497.db2.gz XQECDUABPUQSMK-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]CCC2CC2)C1 ZINC001501445873 921013509 /nfs/dbraw/zinc/01/35/09/921013509.db2.gz XQECDUABPUQSMK-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001507419631 921823965 /nfs/dbraw/zinc/82/39/65/921823965.db2.gz WBANAHAGETUBRL-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001507419629 921824309 /nfs/dbraw/zinc/82/43/09/921824309.db2.gz WBANAHAGETUBRL-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001507419632 921825484 /nfs/dbraw/zinc/82/54/84/921825484.db2.gz WBANAHAGETUBRL-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCCO ZINC001507674770 921890185 /nfs/dbraw/zinc/89/01/85/921890185.db2.gz HYTMHKSRWCGPGM-ZDUSSCGKSA-N 2 1 298.387 -0.675 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO ZINC001507674770 921890200 /nfs/dbraw/zinc/89/02/00/921890200.db2.gz HYTMHKSRWCGPGM-ZDUSSCGKSA-N 2 1 298.387 -0.675 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001507726802 921895555 /nfs/dbraw/zinc/89/55/55/921895555.db2.gz NBVLFVUJPUEJTN-QWHCGFSZSA-N 2 1 287.404 -0.664 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507726802 921895566 /nfs/dbraw/zinc/89/55/66/921895566.db2.gz NBVLFVUJPUEJTN-QWHCGFSZSA-N 2 1 287.404 -0.664 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507726802 921895575 /nfs/dbraw/zinc/89/55/75/921895575.db2.gz NBVLFVUJPUEJTN-QWHCGFSZSA-N 2 1 287.404 -0.664 20 0 CBADMP COCC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C(C)C ZINC001508044236 921905789 /nfs/dbraw/zinc/90/57/89/921905789.db2.gz XMHUAAQDUHFIDM-ZDUSSCGKSA-N 2 1 287.404 -0.210 20 0 CBADMP COCC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C(C)C ZINC001508044236 921905794 /nfs/dbraw/zinc/90/57/94/921905794.db2.gz XMHUAAQDUHFIDM-ZDUSSCGKSA-N 2 1 287.404 -0.210 20 0 CBADMP COCC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001508044236 921905804 /nfs/dbraw/zinc/90/58/04/921905804.db2.gz XMHUAAQDUHFIDM-ZDUSSCGKSA-N 2 1 287.404 -0.210 20 0 CBADMP COCC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001508044236 921905816 /nfs/dbraw/zinc/90/58/16/921905816.db2.gz XMHUAAQDUHFIDM-ZDUSSCGKSA-N 2 1 287.404 -0.210 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@@H](CO)C1 ZINC001515357593 922232085 /nfs/dbraw/zinc/23/20/85/922232085.db2.gz HAGPPAAVYRERFX-OUAUKWLOSA-N 2 1 255.362 -0.505 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@@H](CO)C1 ZINC001515357593 922232098 /nfs/dbraw/zinc/23/20/98/922232098.db2.gz HAGPPAAVYRERFX-OUAUKWLOSA-N 2 1 255.362 -0.505 20 0 CBADMP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001515318450 922233139 /nfs/dbraw/zinc/23/31/39/922233139.db2.gz LSZNZNBAMPLOTM-TUAOUCFPSA-N 2 1 255.362 -0.219 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(c2nccnc2C[NH3+])[C@H](C)C1 ZINC001515658621 922239738 /nfs/dbraw/zinc/23/97/38/922239738.db2.gz JMWKTCBXPNGELL-GHMZBOCLSA-N 2 1 265.361 -0.173 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001521158351 922334883 /nfs/dbraw/zinc/33/48/83/922334883.db2.gz LQPDOOMFNFLBLQ-IJLUTSLNSA-N 2 1 254.378 -0.526 20 0 CBADMP C[C@@H]1C[N@H+](CCCCNC(=O)CNCC[NH3+])C[C@H](C)O1 ZINC001521445649 922355662 /nfs/dbraw/zinc/35/56/62/922355662.db2.gz IBRNLFYOZIRKFZ-BETUJISGSA-N 2 1 286.420 -0.460 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001521470914 922358328 /nfs/dbraw/zinc/35/83/28/922358328.db2.gz VKHNFPOHMVQXQZ-XSRFYTQQSA-N 2 1 257.378 -0.067 20 0 CBADMP C[C@]1(C(=O)N2CC[NH+](C3CCC3)CC2)C[C@H](O)C[NH2+]1 ZINC001521482049 922360572 /nfs/dbraw/zinc/36/05/72/922360572.db2.gz CSFPYJIHZVOXHH-GXTWGEPZSA-N 2 1 267.373 -0.204 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H](O)C[NH3+])C1 ZINC001521496162 922361353 /nfs/dbraw/zinc/36/13/53/922361353.db2.gz PJDSDKZFFOJEQJ-VXGBXAGGSA-N 2 1 257.378 -0.114 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001521495826 922362216 /nfs/dbraw/zinc/36/22/16/922362216.db2.gz LYRBJVJZPKVQKK-CHWSQXEVSA-N 2 1 268.405 -0.310 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C[C@@H](O)C[NH3+])C1 ZINC001521482887 922362568 /nfs/dbraw/zinc/36/25/68/922362568.db2.gz XMRBAADROCWCLI-VXGBXAGGSA-N 2 1 257.378 -0.210 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001521496251 922363081 /nfs/dbraw/zinc/36/30/81/922363081.db2.gz RPSMPHBVLPYREN-TZMCWYRMSA-N 2 1 269.389 -0.051 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001521495827 922363363 /nfs/dbraw/zinc/36/33/63/922363363.db2.gz LYRBJVJZPKVQKK-OLZOCXBDSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001521527792 922364302 /nfs/dbraw/zinc/36/43/02/922364302.db2.gz UMEXOJWWDMDCAC-QJPTWQEYSA-N 2 1 252.362 -0.757 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)NCCCCC[NH+]1CCNCC1 ZINC001522930404 922547019 /nfs/dbraw/zinc/54/70/19/922547019.db2.gz LFMLLMVCZRWOFF-AWEZNQCLSA-N 2 1 299.463 -0.543 20 0 CBADMP Cc1ccc(NCCNC(=O)CN2CC[NH2+]CC2)[nH+]c1 ZINC001523211634 922575956 /nfs/dbraw/zinc/57/59/56/922575956.db2.gz ULLGCFWZNHIUHH-UHFFFAOYSA-N 2 1 277.372 -0.177 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCO[C@H]3C[NH3+])C[C@]2(C)C1 ZINC001523448554 922593357 /nfs/dbraw/zinc/59/33/57/922593357.db2.gz OCGQOTXDTDVTHX-UHXUPSOCSA-N 2 1 267.373 -0.240 20 0 CBADMP CC1(C)C[NH2+]C[C@@H]1NC(=O)C[NH+]1CCC(CO)CC1 ZINC001523434976 922594786 /nfs/dbraw/zinc/59/47/86/922594786.db2.gz UOYYXQULZOTWPL-LBPRGKRZSA-N 2 1 269.389 -0.195 20 0 CBADMP CN1CCN(C(=O)C2(C)C[NH2+]C2)CC[N@@H+](C)CC1 ZINC001523482662 922596580 /nfs/dbraw/zinc/59/65/80/922596580.db2.gz URKYUZQREOZPLK-UHFFFAOYSA-N 2 1 254.378 -0.698 20 0 CBADMP CN1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC[N@H+](C)CC1 ZINC001523482277 922598143 /nfs/dbraw/zinc/59/81/43/922598143.db2.gz MGRLCYDCNRXBNS-ZDUSSCGKSA-N 2 1 272.368 -0.606 20 0 CBADMP CN1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC[N@@H+](C)CC1 ZINC001523482277 922598154 /nfs/dbraw/zinc/59/81/54/922598154.db2.gz MGRLCYDCNRXBNS-ZDUSSCGKSA-N 2 1 272.368 -0.606 20 0 CBADMP [NH3+]C1(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC001524008466 922614073 /nfs/dbraw/zinc/61/40/73/922614073.db2.gz HFDMRLSRMRJIEF-MNOVXSKESA-N 2 1 253.346 -0.465 20 0 CBADMP C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@H]1C[N@@H+](C)CCN1C ZINC001524028322 922614740 /nfs/dbraw/zinc/61/47/40/922614740.db2.gz ARCIGYJBRAMBST-CKIKVBCHSA-N 2 1 266.389 -0.513 20 0 CBADMP [NH3+]C1(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC001524008468 922616041 /nfs/dbraw/zinc/61/60/41/922616041.db2.gz HFDMRLSRMRJIEF-QWRGUYRKSA-N 2 1 253.346 -0.465 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC[N@H+]1C ZINC001548552179 923375582 /nfs/dbraw/zinc/37/55/82/923375582.db2.gz FAFWTXCRGUGVAU-NMKXLXIOSA-N 2 1 267.373 -0.036 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC001548559047 923382307 /nfs/dbraw/zinc/38/23/07/923382307.db2.gz ULJXERRZJGZCLV-UBHSHLNASA-N 2 1 292.383 -0.229 20 0 CBADMP CN1CC[NH2+]C[C@H]1C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC001548559444 923383879 /nfs/dbraw/zinc/38/38/79/923383879.db2.gz XZQTUISQGDPAKF-KGLIPLIRSA-N 2 1 289.383 -0.542 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001548558454 923384435 /nfs/dbraw/zinc/38/44/35/923384435.db2.gz WFNDZYDSHMFYMQ-UHFFFAOYSA-N 2 1 276.287 -0.405 20 0 CBADMP CN1CC[NH2+]C[C@H]1C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC001548561039 923386080 /nfs/dbraw/zinc/38/60/80/923386080.db2.gz FZIHHOGCOYCHLW-KGLIPLIRSA-N 2 1 289.383 -0.542 20 0 CBADMP C[C@@H]1C[N@H+](CCNC(=O)C[C@@]2(O)CCC[NH2+]C2)[C@@H](C)CO1 ZINC001548570880 923393449 /nfs/dbraw/zinc/39/34/49/923393449.db2.gz XZLNBGVNJWXYAZ-GUTXKFCHSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@]2(O)CCC[NH2+]C2)[C@@H](C)CO1 ZINC001548570880 923393457 /nfs/dbraw/zinc/39/34/57/923393457.db2.gz XZLNBGVNJWXYAZ-GUTXKFCHSA-N 2 1 299.415 -0.284 20 0 CBADMP [NH3+][C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(F)cc1F ZINC001548573486 923397446 /nfs/dbraw/zinc/39/74/46/923397446.db2.gz MJPGNOFXZKLKJJ-OUAUKWLOSA-N 2 1 271.267 -0.587 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001548628979 923416603 /nfs/dbraw/zinc/41/66/03/923416603.db2.gz YTWWCUNELNXOKP-HIFRSBDPSA-N 2 1 292.427 -0.071 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001548629031 923417809 /nfs/dbraw/zinc/41/78/09/923417809.db2.gz YTWWCUNELNXOKP-ZFWWWQNUSA-N 2 1 292.427 -0.071 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)C1 ZINC001548642749 923421394 /nfs/dbraw/zinc/42/13/94/923421394.db2.gz GPLFLEGSRMPEIV-MELADBBJSA-N 2 1 296.415 -0.788 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)C1 ZINC001548642749 923421411 /nfs/dbraw/zinc/42/14/11/923421411.db2.gz GPLFLEGSRMPEIV-MELADBBJSA-N 2 1 296.415 -0.788 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001548642749 923421424 /nfs/dbraw/zinc/42/14/24/923421424.db2.gz GPLFLEGSRMPEIV-MELADBBJSA-N 2 1 296.415 -0.788 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCN2C[C@H]3C)C1 ZINC001548642746 923422041 /nfs/dbraw/zinc/42/20/41/923422041.db2.gz GPLFLEGSRMPEIV-HZSPNIEDSA-N 2 1 296.415 -0.788 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)C1 ZINC001548642746 923422053 /nfs/dbraw/zinc/42/20/53/923422053.db2.gz GPLFLEGSRMPEIV-HZSPNIEDSA-N 2 1 296.415 -0.788 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001548642746 923422066 /nfs/dbraw/zinc/42/20/66/923422066.db2.gz GPLFLEGSRMPEIV-HZSPNIEDSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC001548638126 923422498 /nfs/dbraw/zinc/42/24/98/923422498.db2.gz IASUYXWSIFTDNQ-MGPQQGTHSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC001548644741 923425405 /nfs/dbraw/zinc/42/54/05/923425405.db2.gz WBINMDPLKRTHTN-VHDGCEQUSA-N 2 1 292.427 -0.073 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)CC[N@H+]1C ZINC001548653233 923433639 /nfs/dbraw/zinc/43/36/39/923433639.db2.gz BWIHLKJXONHWLV-XJFOESAGSA-N 2 1 280.416 -0.026 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CCCOCC1 ZINC001548689890 923454393 /nfs/dbraw/zinc/45/43/93/923454393.db2.gz IUWLKYYCRYPZMM-KBPBESRZSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@@H+]1CCCOCC1 ZINC001548689890 923454403 /nfs/dbraw/zinc/45/44/03/923454403.db2.gz IUWLKYYCRYPZMM-KBPBESRZSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@H+]1CCCOCC1 ZINC001548689890 923454415 /nfs/dbraw/zinc/45/44/15/923454415.db2.gz IUWLKYYCRYPZMM-KBPBESRZSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548711707 923471896 /nfs/dbraw/zinc/47/18/96/923471896.db2.gz VFCGPVPZHXYTBV-AAVRWANBSA-N 2 1 280.416 -0.074 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC001548731531 923482024 /nfs/dbraw/zinc/48/20/24/923482024.db2.gz GTEBDGCEIPEXRH-MCIONIFRSA-N 2 1 278.400 -0.319 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@](O)(C[NH+](C)C)C2)C1 ZINC001548750072 923494845 /nfs/dbraw/zinc/49/48/45/923494845.db2.gz MJBNSMAQOHNSDD-TZMCWYRMSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1C[N@H+](CCN2C[C@@H]([NH3+])[C@@H](c3cnn(C)c3)C2)CCO1 ZINC001548960968 923519554 /nfs/dbraw/zinc/51/95/54/923519554.db2.gz UKKWOKDMADTKSC-BPLDGKMQSA-N 2 1 293.415 -0.133 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2C[C@@H]([NH3+])[C@@H](c3cnn(C)c3)C2)CCO1 ZINC001548960968 923519566 /nfs/dbraw/zinc/51/95/66/923519566.db2.gz UKKWOKDMADTKSC-BPLDGKMQSA-N 2 1 293.415 -0.133 20 0 CBADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC001549043475 923527182 /nfs/dbraw/zinc/52/71/82/923527182.db2.gz KBOOSDPFQJJBFL-UONOGXRCSA-N 3 1 280.416 -0.118 20 0 CBADMP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC001549043475 923527193 /nfs/dbraw/zinc/52/71/93/923527193.db2.gz KBOOSDPFQJJBFL-UONOGXRCSA-N 3 1 280.416 -0.118 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC001549042985 923527956 /nfs/dbraw/zinc/52/79/56/923527956.db2.gz HWJBTISPLNSQPD-SDDRHHMPSA-N 2 1 294.330 -0.719 20 0 CBADMP Cn1nccc1[C@H]1[C@@H]([NH2+]C[C@H]2CC[NH2+]C2)CC(=O)N1C ZINC001549043927 923531772 /nfs/dbraw/zinc/53/17/72/923531772.db2.gz RFNIVFCLQHDAPW-COPLHBTASA-N 2 1 277.372 -0.109 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001549045249 923538563 /nfs/dbraw/zinc/53/85/63/923538563.db2.gz RHTKZGDWDSJDQR-GHMZBOCLSA-N 2 1 281.360 -0.743 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001549046046 923538992 /nfs/dbraw/zinc/53/89/92/923538992.db2.gz AHINIMJHPCQCCL-MXWKQRLJSA-N 2 1 268.361 -0.963 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001549046045 923539404 /nfs/dbraw/zinc/53/94/04/923539404.db2.gz AHINIMJHPCQCCL-DCAQKATOSA-N 2 1 268.361 -0.963 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001549046047 923540646 /nfs/dbraw/zinc/54/06/46/923540646.db2.gz AHINIMJHPCQCCL-VWYCJHECSA-N 2 1 268.361 -0.963 20 0 CBADMP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)C1 ZINC001549049186 923545550 /nfs/dbraw/zinc/54/55/50/923545550.db2.gz INJFACOWNVHMGW-MCIONIFRSA-N 2 1 297.399 -0.280 20 0 CBADMP [NH3+]C[C@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CCCO1 ZINC001549048302 923545765 /nfs/dbraw/zinc/54/57/65/923545765.db2.gz CFEUNOKWGMXQTN-QWRGUYRKSA-N 2 1 293.371 -0.324 20 0 CBADMP [NH3+]C[C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CCCO1 ZINC001549048305 923546244 /nfs/dbraw/zinc/54/62/44/923546244.db2.gz CFEUNOKWGMXQTN-WDEREUQCSA-N 2 1 293.371 -0.324 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549049182 923546488 /nfs/dbraw/zinc/54/64/88/923546488.db2.gz CQSYCMVNWGZPNT-SQNXGDPESA-N 2 1 293.371 -0.950 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549128247 923561802 /nfs/dbraw/zinc/56/18/02/923561802.db2.gz KPWKPAHWQWVSSL-OPDFLTKYSA-N 2 1 267.373 -0.049 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC001549212687 923569271 /nfs/dbraw/zinc/56/92/71/923569271.db2.gz XPDLTFPVUDLDKA-LKSINWNRSA-N 2 1 282.388 -0.554 20 0 CBADMP [NH3+]CCNC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549214987 923570903 /nfs/dbraw/zinc/57/09/03/923570903.db2.gz TXMHZDUWTDYVJO-NEPJUHHUSA-N 2 1 282.388 -0.112 20 0 CBADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC001549302698 923588908 /nfs/dbraw/zinc/58/89/08/923588908.db2.gz UNQMHVVKKMFBRC-MJBXVCDLSA-N 2 1 281.400 -0.053 20 0 CBADMP CO[C@H]1C[C@H](C(=O)NC2CC(N3CCOCC3)C2)[N@@H+](C)C1 ZINC001549624174 923617718 /nfs/dbraw/zinc/61/77/18/923617718.db2.gz PDPDXQXCCHXDID-CLRIEMFWSA-N 2 1 297.399 -0.315 20 0 CBADMP CO[C@H]1C[C@H](C(=O)NC2CC(N3CCOCC3)C2)N(C)C1 ZINC001549624174 923617723 /nfs/dbraw/zinc/61/77/23/923617723.db2.gz PDPDXQXCCHXDID-CLRIEMFWSA-N 2 1 297.399 -0.315 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549740300 923639358 /nfs/dbraw/zinc/63/93/58/923639358.db2.gz NZCXPOCLDYCKSR-NOHGZBONSA-N 2 1 293.371 -0.950 20 0 CBADMP Cn1nnnc1CC[N@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549776478 923641950 /nfs/dbraw/zinc/64/19/50/923641950.db2.gz SJBDCPWRAWZZFG-PWSUYJOCSA-N 2 1 250.350 -0.187 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC[C@@H]21 ZINC001549883188 923644993 /nfs/dbraw/zinc/64/49/93/923644993.db2.gz LENDLJLYJOKTHS-AGIUHOORSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550006248 923657605 /nfs/dbraw/zinc/65/76/05/923657605.db2.gz ZOFAVLBYECJOQZ-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550006250 923658192 /nfs/dbraw/zinc/65/81/92/923658192.db2.gz ZOFAVLBYECJOQZ-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001550061130 923664128 /nfs/dbraw/zinc/66/41/28/923664128.db2.gz PLGLYERWMARBQN-RYUDHWBXSA-N 2 1 264.329 -0.219 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC[C@@H]21 ZINC001550103519 923683033 /nfs/dbraw/zinc/68/30/33/923683033.db2.gz CNVBULBQRGMPRP-RHYQMDGZSA-N 2 1 253.346 -0.738 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)c3cn(CCC[NH3+])nn3)CC[C@H]21 ZINC001550104433 923683553 /nfs/dbraw/zinc/68/35/53/923683553.db2.gz NISGYORBLWEFTL-WCQYABFASA-N 2 1 292.387 -0.207 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3ncccn3)CC[C@H]21 ZINC001550105154 923683895 /nfs/dbraw/zinc/68/38/95/923683895.db2.gz ZXYQLMOEYPNHKI-FRRDWIJNSA-N 2 1 289.383 -0.101 20 0 CBADMP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1COCC[NH2+]1 ZINC001550107318 923687258 /nfs/dbraw/zinc/68/72/58/923687258.db2.gz HEABKOFKDYCHHX-FGNRJIRKSA-N 2 1 253.346 -0.378 20 0 CBADMP C[NH2+]CCC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001550117249 923689734 /nfs/dbraw/zinc/68/97/34/923689734.db2.gz XJJZGKHDZMKXDW-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001550122404 923694434 /nfs/dbraw/zinc/69/44/34/923694434.db2.gz GDUALWWLFOFSFZ-QVHKTLOISA-N 2 1 279.384 -0.083 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001550121844 923694518 /nfs/dbraw/zinc/69/45/18/923694518.db2.gz BDWAESAISJMJGY-RWMBFGLXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cn(CCC[NH3+])nn1 ZINC001550122417 923695987 /nfs/dbraw/zinc/69/59/87/923695987.db2.gz GHHINTHBZNZVKA-QWHCGFSZSA-N 2 1 292.387 -0.064 20 0 CBADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC001550227299 923711377 /nfs/dbraw/zinc/71/13/77/923711377.db2.gz AGEUWZIGJXSUCR-LLVKDONJSA-N 2 1 282.388 -0.334 20 0 CBADMP N[C@H]1CN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C[C@H]1[NH3+] ZINC001550269714 923712022 /nfs/dbraw/zinc/71/20/22/923712022.db2.gz HKOSHKWWVRMZCF-OKILXGFUSA-N 2 1 295.431 -0.212 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001550268969 923712080 /nfs/dbraw/zinc/71/20/80/923712080.db2.gz DIVWJQLAOFEHCY-MQYJIDSJSA-N 2 1 296.415 -0.117 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001550236031 923712670 /nfs/dbraw/zinc/71/26/70/923712670.db2.gz IONKBUGNBOZSPI-JSGCOSHPSA-N 2 1 267.373 -0.033 20 0 CBADMP O[C@@H]1C[C@@H]2CN(C[C@@H]3CC4(C[NH2+]C4)CO3)CC[N@H+]2C1 ZINC001550436889 923731513 /nfs/dbraw/zinc/73/15/13/923731513.db2.gz VMBHHPBKDNCHCD-UPJWGTAASA-N 2 1 267.373 -0.884 20 0 CBADMP C[N@H+]1[C@H](CO)C[C@@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)C[C@H]21 ZINC001550744574 923743755 /nfs/dbraw/zinc/74/37/55/923743755.db2.gz PHRUCBJVRAJDBB-DPWYMPPLSA-N 2 1 294.399 -0.555 20 0 CBADMP C[N@@H+]1[C@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)C[C@@H]2C[C@H]1CO ZINC001550744587 923744673 /nfs/dbraw/zinc/74/46/73/923744673.db2.gz PHRUCBJVRAJDBB-XWRJPITESA-N 2 1 294.399 -0.555 20 0 CBADMP O=C1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]2)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550915080 923756442 /nfs/dbraw/zinc/75/64/42/923756442.db2.gz ZENUJLAHBXIMNE-VNHYZAJKSA-N 3 1 280.416 -0.025 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H]3C[NH+](C)C[C@@]3(C)C2)C1 ZINC001551086324 923762493 /nfs/dbraw/zinc/76/24/93/923762493.db2.gz ZQUCEGZKOGDFIS-HOCLYGCPSA-N 2 1 294.443 -0.110 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@]3(C)C2)C1 ZINC001551086324 923762502 /nfs/dbraw/zinc/76/25/02/923762502.db2.gz ZQUCEGZKOGDFIS-HOCLYGCPSA-N 2 1 294.443 -0.110 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@]3(C)C2)C1 ZINC001551086324 923762511 /nfs/dbraw/zinc/76/25/11/923762511.db2.gz ZQUCEGZKOGDFIS-HOCLYGCPSA-N 2 1 294.443 -0.110 20 0 CBADMP C[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001551396837 923772158 /nfs/dbraw/zinc/77/21/58/923772158.db2.gz SQSVCLNPOOCPGL-MBNYWOFBSA-N 2 1 267.373 -0.035 20 0 CBADMP CNC(=O)[C@@]12C[N@@H+](C[C@H]3CC[NH2+]C3)C[C@@H]1COCC2 ZINC001551411912 923779433 /nfs/dbraw/zinc/77/94/33/923779433.db2.gz UPYJETQMJHODPW-SCRDCRAPSA-N 2 1 267.373 -0.320 20 0 CBADMP CNC(=O)[C@@]12C[N@@H+](C[C@H]3C[NH2+]C[C@@H]3C)C[C@H]1COCC2 ZINC001551411278 923779984 /nfs/dbraw/zinc/77/99/84/923779984.db2.gz SDMHVJBUTVFFOJ-XFMPKHEZSA-N 2 1 281.400 -0.074 20 0 CBADMP CNC(=O)[C@@]12C[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@H]1COCC2 ZINC001551411908 923782334 /nfs/dbraw/zinc/78/23/34/923782334.db2.gz UPYJETQMJHODPW-DYEKYZERSA-N 2 1 267.373 -0.320 20 0 CBADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001551463405 923795266 /nfs/dbraw/zinc/79/52/66/923795266.db2.gz HMSOKFUWKCEBQX-GARJFASQSA-N 2 1 277.328 -0.556 20 0 CBADMP C[C@H](NC(=O)NC1CC2(C[C@H]2[NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC001551577361 923803839 /nfs/dbraw/zinc/80/38/39/923803839.db2.gz AUTOSODZYHKWFC-ARCGFLRYSA-N 2 1 282.388 -0.116 20 0 CBADMP C[C@H](NC(=O)NC1CC2(C[C@H]2[NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC001551577361 923803845 /nfs/dbraw/zinc/80/38/45/923803845.db2.gz AUTOSODZYHKWFC-ARCGFLRYSA-N 2 1 282.388 -0.116 20 0 CBADMP C[N@@H+]1[C@H]2CN(C(=O)NC3CC4(C[C@H]4[NH3+])C3)C[C@H]2C[C@H]1CO ZINC001551586287 923804237 /nfs/dbraw/zinc/80/42/37/923804237.db2.gz MPLVUXAXVFEYGO-YCBCTKGMSA-N 2 1 294.399 -0.427 20 0 CBADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+](C)CC2)cnn1C ZINC001552087007 923829000 /nfs/dbraw/zinc/82/90/00/923829000.db2.gz UFJXOXMCZFLUKM-KBPBESRZSA-N 2 1 291.399 -0.194 20 0 CBADMP C[N@H+]1CCCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC001552087609 923829218 /nfs/dbraw/zinc/82/92/18/923829218.db2.gz ZMPXEHVNHIRUAO-NSHDSACASA-N 2 1 278.360 -0.410 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552198705 923853085 /nfs/dbraw/zinc/85/30/85/923853085.db2.gz YEUTXTKKTLCCIO-YRGRVCCFSA-N 2 1 267.373 -0.177 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552200623 923856803 /nfs/dbraw/zinc/85/68/03/923856803.db2.gz SEEYNLASFBPZOA-MBNYWOFBSA-N 2 1 267.373 -0.177 20 0 CBADMP O=C(N1CC[NH+](C2CCC2)CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201452 923859069 /nfs/dbraw/zinc/85/90/69/923859069.db2.gz PXZNWIANZDIWMT-IUODEOHRSA-N 2 1 279.384 -0.081 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201623 923860443 /nfs/dbraw/zinc/86/04/43/923860443.db2.gz VDTSQRMTYGKHCU-RGCMKSIDSA-N 2 1 279.384 -0.083 20 0 CBADMP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CC[N@@H+](C)C1 ZINC001552216685 923872692 /nfs/dbraw/zinc/87/26/92/923872692.db2.gz WMNKEEGSLXPIHM-QWRGUYRKSA-N 2 1 278.360 -0.411 20 0 CBADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)CC1 ZINC001552291463 923882913 /nfs/dbraw/zinc/88/29/13/923882913.db2.gz AHCVMEFQJYKZOF-FRRDWIJNSA-N 2 1 295.431 -0.213 20 0 CBADMP C[C@@H]1CN(C(=O)N2C[C@H](N)[C@@H]([NH3+])C2)CC[N@H+](C2CCC2)C1 ZINC001552293860 923886322 /nfs/dbraw/zinc/88/63/22/923886322.db2.gz WKEKQKQSYDNBNM-UBHSHLNASA-N 2 1 295.431 -0.117 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CCCC[NH2+]C1 ZINC001552422032 923898901 /nfs/dbraw/zinc/89/89/01/923898901.db2.gz XXIXTWDONFQJDJ-QWHCGFSZSA-N 2 1 268.405 -0.262 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCCC[NH2+]C2)CC1 ZINC001552434530 923903563 /nfs/dbraw/zinc/90/35/63/923903563.db2.gz UWYCYDXOYZVOKK-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP Cc1c(C(=O)NC[C@H]2CC[N@H+](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552434496 923904591 /nfs/dbraw/zinc/90/45/91/923904591.db2.gz SYNCWHRYXSOPJG-NEPJUHHUSA-N 2 1 292.387 -0.198 20 0 CBADMP CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C[C@@H]21 ZINC001552719714 923915682 /nfs/dbraw/zinc/91/56/82/923915682.db2.gz YZNHDCBQTHMLKR-HZSPNIEDSA-N 2 1 295.383 -0.561 20 0 CBADMP C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1)[NH+](C)C ZINC001552770736 923917735 /nfs/dbraw/zinc/91/77/35/923917735.db2.gz CZBQXFKLQXXYOL-KBPBESRZSA-N 2 1 297.447 -0.032 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001552959412 923928047 /nfs/dbraw/zinc/92/80/47/923928047.db2.gz WOFRIWGMBKDMJH-IHRRRGAJSA-N 2 1 295.431 -0.232 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC001552973603 923929631 /nfs/dbraw/zinc/92/96/31/923929631.db2.gz RDKPTSIENXTOQC-ZLMOABSSSA-N 3 1 278.400 -0.239 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2C[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC001552981274 923930028 /nfs/dbraw/zinc/93/00/28/923930028.db2.gz RKQXGJIWKVYYNX-JSGCOSHPSA-N 2 1 280.416 -0.358 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC001552981274 923930036 /nfs/dbraw/zinc/93/00/36/923930036.db2.gz RKQXGJIWKVYYNX-JSGCOSHPSA-N 2 1 280.416 -0.358 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC001552981274 923930043 /nfs/dbraw/zinc/93/00/43/923930043.db2.gz RKQXGJIWKVYYNX-JSGCOSHPSA-N 2 1 280.416 -0.358 20 0 CBADMP CS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001553014910 923934333 /nfs/dbraw/zinc/93/43/33/923934333.db2.gz ZICZTNNOWIJQRK-NWDGAFQWSA-N 2 1 288.413 -0.126 20 0 CBADMP CS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001553014910 923934344 /nfs/dbraw/zinc/93/43/44/923934344.db2.gz ZICZTNNOWIJQRK-NWDGAFQWSA-N 2 1 288.413 -0.126 20 0 CBADMP C[N@H+]1CCn2ncc(CN[C@@H]3C[NH2+]CCOC3)c2C1 ZINC001553026357 923935119 /nfs/dbraw/zinc/93/51/19/923935119.db2.gz YXZQQRQEGDBMIP-GFCCVEGCSA-N 2 1 265.361 -0.594 20 0 CBADMP CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C[C@@H]21 ZINC001553013783 923935463 /nfs/dbraw/zinc/93/54/63/923935463.db2.gz DRQUOJOXOIGRFV-HZSPNIEDSA-N 2 1 295.383 -0.704 20 0 CBADMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC(C(N)=O)C1 ZINC001553304209 923948060 /nfs/dbraw/zinc/94/80/60/923948060.db2.gz BNEGRQIUZZEHMC-CXHDDBMJSA-N 2 1 267.373 -0.049 20 0 CBADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)C1 ZINC001553343134 923949508 /nfs/dbraw/zinc/94/95/08/923949508.db2.gz HZERHIOAEOIXTF-SQWLQELKSA-N 3 1 294.443 -0.014 20 0 CBADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)C1 ZINC001553343134 923949522 /nfs/dbraw/zinc/94/95/22/923949522.db2.gz HZERHIOAEOIXTF-SQWLQELKSA-N 3 1 294.443 -0.014 20 0 CBADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)C1 ZINC001553343129 923949722 /nfs/dbraw/zinc/94/97/22/923949722.db2.gz HZERHIOAEOIXTF-LZWOXQAQSA-N 3 1 294.443 -0.014 20 0 CBADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)C1 ZINC001553343129 923949737 /nfs/dbraw/zinc/94/97/37/923949737.db2.gz HZERHIOAEOIXTF-LZWOXQAQSA-N 3 1 294.443 -0.014 20 0 CBADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)C1 ZINC001553343131 923949897 /nfs/dbraw/zinc/94/98/97/923949897.db2.gz HZERHIOAEOIXTF-OFQRWUPVSA-N 3 1 294.443 -0.014 20 0 CBADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)C1 ZINC001553343131 923949905 /nfs/dbraw/zinc/94/99/05/923949905.db2.gz HZERHIOAEOIXTF-OFQRWUPVSA-N 3 1 294.443 -0.014 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC3CCC([NH3+])CC3)C[NH2+]C[C@H]2C1 ZINC001553351758 923953697 /nfs/dbraw/zinc/95/36/97/923953697.db2.gz BZHYACLZYCZVPD-CLTVBZQCSA-N 3 1 280.416 -0.086 20 0 CBADMP CN1CC[C@]2(C(=O)NC3CCC([NH3+])CC3)C[NH2+]C[C@H]2C1 ZINC001553351758 923953705 /nfs/dbraw/zinc/95/37/05/923953705.db2.gz BZHYACLZYCZVPD-CLTVBZQCSA-N 2 1 280.416 -0.086 20 0 CBADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCC(C[NH3+])CC3)C[NH2+]C[C@@H]2C1 ZINC001553348811 923954036 /nfs/dbraw/zinc/95/40/36/923954036.db2.gz KIAVUCSSOPHFLX-UKRRQHHQSA-N 3 1 280.416 -0.275 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)N3CCC(C[NH3+])CC3)C[NH2+]C[C@@H]2C1 ZINC001553348811 923954043 /nfs/dbraw/zinc/95/40/43/923954043.db2.gz KIAVUCSSOPHFLX-UKRRQHHQSA-N 3 1 280.416 -0.275 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)NC3CCC([NH3+])CC3)C[NH2+]C[C@H]2C1 ZINC001553351761 923954387 /nfs/dbraw/zinc/95/43/87/923954387.db2.gz BZHYACLZYCZVPD-LFUGVXIPSA-N 3 1 280.416 -0.086 20 0 CBADMP CN1CC[C@@]2(C(=O)NC3CCC([NH3+])CC3)C[NH2+]C[C@H]2C1 ZINC001553351761 923954404 /nfs/dbraw/zinc/95/44/04/923954404.db2.gz BZHYACLZYCZVPD-LFUGVXIPSA-N 2 1 280.416 -0.086 20 0 CBADMP C[NH2+]CC1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)CC1 ZINC001553355664 923955786 /nfs/dbraw/zinc/95/57/86/923955786.db2.gz AKKJUYYCYUASSI-HOCLYGCPSA-N 3 1 294.443 -0.014 20 0 CBADMP C[NH2+]CC1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)CC1 ZINC001553355664 923955797 /nfs/dbraw/zinc/95/57/97/923955797.db2.gz AKKJUYYCYUASSI-HOCLYGCPSA-N 3 1 294.443 -0.014 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CC[C@H](C[NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553355920 923957327 /nfs/dbraw/zinc/95/73/27/923957327.db2.gz PWDZEZMZEDJWND-DYEKYZERSA-N 3 1 266.389 -0.665 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CC[C@H](C[NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553355920 923957334 /nfs/dbraw/zinc/95/73/34/923957334.db2.gz PWDZEZMZEDJWND-DYEKYZERSA-N 3 1 266.389 -0.665 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NCC[C@@H]3CC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553352164 923957991 /nfs/dbraw/zinc/95/79/91/923957991.db2.gz GZAKOWSZSLAUJO-GUTXKFCHSA-N 3 1 280.416 -0.357 20 0 CBADMP CN1CC[C@]2(C(=O)NCC[C@@H]3CC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553352164 923958008 /nfs/dbraw/zinc/95/80/08/923958008.db2.gz GZAKOWSZSLAUJO-GUTXKFCHSA-N 2 1 280.416 -0.357 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[NH2+]C[C@H]2C1 ZINC001553354470 923958085 /nfs/dbraw/zinc/95/80/85/923958085.db2.gz PSQICVDTOMMYKP-RBZWTCKCSA-N 3 1 292.427 -0.073 20 0 CBADMP CN1CC[C@]2(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[NH2+]C[C@H]2C1 ZINC001553354470 923958097 /nfs/dbraw/zinc/95/80/97/923958097.db2.gz PSQICVDTOMMYKP-RBZWTCKCSA-N 2 1 292.427 -0.073 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc3n(n2)C[C@@H](C)[NH2+]C3)CCO1 ZINC001553357694 923960593 /nfs/dbraw/zinc/96/05/93/923960593.db2.gz GUNIRTHSKBVXIB-GBIKHYSHSA-N 2 1 293.371 -0.437 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)CCO1 ZINC001553358640 923961404 /nfs/dbraw/zinc/96/14/04/923961404.db2.gz JDWZGFPIOVSXFQ-ABHRYQDASA-N 3 1 296.415 -0.898 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)CCO1 ZINC001553358640 923961418 /nfs/dbraw/zinc/96/14/18/923961418.db2.gz JDWZGFPIOVSXFQ-ABHRYQDASA-N 3 1 296.415 -0.898 20 0 CBADMP CN(C)C(=O)CN(C)C(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553375834 923968349 /nfs/dbraw/zinc/96/83/49/923968349.db2.gz YMWXDCJAWLYGCQ-SMDDNHRTSA-N 2 1 282.388 -0.926 20 0 CBADMP CN(C)C(=O)CN(C)C(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553375834 923968357 /nfs/dbraw/zinc/96/83/57/923968357.db2.gz YMWXDCJAWLYGCQ-SMDDNHRTSA-N 2 1 282.388 -0.926 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@H]3CCCCNC3=O)C[NH2+]C[C@H]2C1 ZINC001553385173 923968980 /nfs/dbraw/zinc/96/89/80/923968980.db2.gz JZJKTJJWXYNCBB-HUBLWGQQSA-N 2 1 294.399 -0.687 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[C@H](O)C3)C[NH2+]C[C@@H]2C1 ZINC001553403058 923974173 /nfs/dbraw/zinc/97/41/73/923974173.db2.gz YOXZYMMDCOPWTD-CXTNEJHOSA-N 2 1 281.400 -0.053 20 0 CBADMP C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553408986 923984471 /nfs/dbraw/zinc/98/44/71/923984471.db2.gz KKFXAKLGRLOQAQ-SDDRHHMPSA-N 2 1 253.346 -0.330 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553415052 923989716 /nfs/dbraw/zinc/98/97/16/923989716.db2.gz YBRCRKRIOSGWMN-HZSPNIEDSA-N 2 1 297.399 -0.314 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001553448804 924000821 /nfs/dbraw/zinc/00/08/21/924000821.db2.gz KUVOVNYRINKLSJ-GUTXKFCHSA-N 2 1 295.431 -0.327 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[C@@]3([NH3+])C2)C1 ZINC001553459445 924005845 /nfs/dbraw/zinc/00/58/45/924005845.db2.gz VPBWDKGYHVONMR-SGMGOOAPSA-N 2 1 282.388 -0.160 20 0 CBADMP [NH3+]C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C1CC1 ZINC001553494646 924011173 /nfs/dbraw/zinc/01/11/73/924011173.db2.gz CINZDDWPDGQSQR-IHRRRGAJSA-N 2 1 296.415 -0.036 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553496688 924014737 /nfs/dbraw/zinc/01/47/37/924014737.db2.gz MODAKECWTQDDSM-FPMFFAJLSA-N 3 1 295.431 -0.056 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001553496688 924014747 /nfs/dbraw/zinc/01/47/47/924014747.db2.gz MODAKECWTQDDSM-FPMFFAJLSA-N 2 1 295.431 -0.056 20 0 CBADMP C[C@H]([NH3+])CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001553502677 924016377 /nfs/dbraw/zinc/01/63/77/924016377.db2.gz KSXHCGAKJLMWJG-QJPTWQEYSA-N 2 1 270.377 -0.426 20 0 CBADMP C[C@H]([NH3+])CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001553502679 924017819 /nfs/dbraw/zinc/01/78/19/924017819.db2.gz KSXHCGAKJLMWJG-SDDRHHMPSA-N 2 1 270.377 -0.426 20 0 CBADMP [NH3+]C1CC(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001553513009 924019340 /nfs/dbraw/zinc/01/93/40/924019340.db2.gz KTQXBTRUCFIQBM-PQAZSJQKSA-N 2 1 296.415 -0.036 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553516117 924019704 /nfs/dbraw/zinc/01/97/04/924019704.db2.gz ZAGJWHMBOCDDBW-AVGNSLFASA-N 2 1 284.404 -0.036 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)NC3CC([NH3+])C3)C2)CC1 ZINC001553556839 924030214 /nfs/dbraw/zinc/03/02/14/924030214.db2.gz OGJDJNUKCNWXSM-WXRRBKDZSA-N 2 1 281.404 -0.493 20 0 CBADMP CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000124999130 187164785 /nfs/dbraw/zinc/16/47/85/187164785.db2.gz LBJOWJYSDWLWJH-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000124999130 187164786 /nfs/dbraw/zinc/16/47/86/187164786.db2.gz LBJOWJYSDWLWJH-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000124999301 187164832 /nfs/dbraw/zinc/16/48/32/187164832.db2.gz LBJOWJYSDWLWJH-KBPBESRZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000124999301 187164833 /nfs/dbraw/zinc/16/48/33/187164833.db2.gz LBJOWJYSDWLWJH-KBPBESRZSA-N 2 1 299.415 -0.474 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCC2)C1 ZINC000337661693 214204424 /nfs/dbraw/zinc/20/44/24/214204424.db2.gz QVEFGMHULKOUGE-GFCCVEGCSA-N 2 1 270.377 -0.288 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000376650091 230257584 /nfs/dbraw/zinc/25/75/84/230257584.db2.gz BTHMZXBSOPMGRE-QJPTWQEYSA-N 2 1 255.362 -0.443 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000377292281 529377537 /nfs/dbraw/zinc/37/75/37/529377537.db2.gz QFTFEDSODFZKAO-FVCCEPFGSA-N 2 1 285.388 -0.987 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000377292281 529377542 /nfs/dbraw/zinc/37/75/42/529377542.db2.gz QFTFEDSODFZKAO-FVCCEPFGSA-N 2 1 285.388 -0.987 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000376455353 529377558 /nfs/dbraw/zinc/37/75/58/529377558.db2.gz QFTFEDSODFZKAO-UMSGYPCISA-N 2 1 285.388 -0.987 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000376455353 529377559 /nfs/dbraw/zinc/37/75/59/529377559.db2.gz QFTFEDSODFZKAO-UMSGYPCISA-N 2 1 285.388 -0.987 20 0 CBADMP C[C@@H](C[S@@](C)=O)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000350761262 219057807 /nfs/dbraw/zinc/05/78/07/219057807.db2.gz DDYDMNLRSBSRGZ-HXPMCKFVSA-N 2 1 289.445 -0.151 20 0 CBADMP C[C@@H](C[S@@](C)=O)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000350761262 219057809 /nfs/dbraw/zinc/05/78/09/219057809.db2.gz DDYDMNLRSBSRGZ-HXPMCKFVSA-N 2 1 289.445 -0.151 20 0 CBADMP C[C@H](C[S@](C)=O)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000350761258 219058300 /nfs/dbraw/zinc/05/83/00/219058300.db2.gz DDYDMNLRSBSRGZ-BLVKFPJESA-N 2 1 289.445 -0.151 20 0 CBADMP C[C@H](C[S@](C)=O)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000350761258 219058301 /nfs/dbraw/zinc/05/83/01/219058301.db2.gz DDYDMNLRSBSRGZ-BLVKFPJESA-N 2 1 289.445 -0.151 20 0 CBADMP C[NH2+]CCC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000262415189 290641362 /nfs/dbraw/zinc/64/13/62/290641362.db2.gz QYSGVYAFTHVGOI-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000493945263 230340712 /nfs/dbraw/zinc/34/07/12/230340712.db2.gz PJAVIPWYEBUYMM-SRVKXCTJSA-N 2 1 284.404 -0.327 20 0 CBADMP C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000351482758 219101409 /nfs/dbraw/zinc/10/14/09/219101409.db2.gz BQGPOUQWUMBSKW-CYBMUJFWSA-N 2 1 285.388 -0.768 20 0 CBADMP C[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000351482758 219101411 /nfs/dbraw/zinc/10/14/11/219101411.db2.gz BQGPOUQWUMBSKW-CYBMUJFWSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000351482758 219101413 /nfs/dbraw/zinc/10/14/13/219101413.db2.gz BQGPOUQWUMBSKW-CYBMUJFWSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000351482758 219101414 /nfs/dbraw/zinc/10/14/14/219101414.db2.gz BQGPOUQWUMBSKW-CYBMUJFWSA-N 2 1 285.388 -0.768 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351498364 219106272 /nfs/dbraw/zinc/10/62/72/219106272.db2.gz VPDXEWUFPDXSGL-AXFHLTTASA-N 2 1 261.391 -0.405 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)C1CC1)C1CC[NH+](CCO)CC1 ZINC000351494274 219106351 /nfs/dbraw/zinc/10/63/51/219106351.db2.gz XVZIPEUWPWWTOJ-HNNXBMFYSA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351515925 219110050 /nfs/dbraw/zinc/11/00/50/219110050.db2.gz DOPWLZDGDZBFGH-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351515924 219111535 /nfs/dbraw/zinc/11/15/35/219111535.db2.gz DOPWLZDGDZBFGH-AGIUHOORSA-N 2 1 294.399 -0.450 20 0 CBADMP CNC(=O)[C@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351520672 219115226 /nfs/dbraw/zinc/11/52/26/219115226.db2.gz RXFOHTGQSWQFQT-ZYHUDNBSSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351520672 219115228 /nfs/dbraw/zinc/11/52/28/219115228.db2.gz RXFOHTGQSWQFQT-ZYHUDNBSSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351520672 219115231 /nfs/dbraw/zinc/11/52/31/219115231.db2.gz RXFOHTGQSWQFQT-ZYHUDNBSSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351520672 219115233 /nfs/dbraw/zinc/11/52/33/219115233.db2.gz RXFOHTGQSWQFQT-ZYHUDNBSSA-N 2 1 257.378 -0.245 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000351556169 219125069 /nfs/dbraw/zinc/12/50/69/219125069.db2.gz DPWKUVBBONUNJW-AAEUAGOBSA-N 2 1 294.399 -0.545 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351558010 219125150 /nfs/dbraw/zinc/12/51/50/219125150.db2.gz RFLSHULCVOGXRE-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000351556171 219125172 /nfs/dbraw/zinc/12/51/72/219125172.db2.gz DPWKUVBBONUNJW-DGCLKSJQSA-N 2 1 294.399 -0.545 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000351556395 219125293 /nfs/dbraw/zinc/12/52/93/219125293.db2.gz NZOLKQFZOQUPAO-MDZLAQPJSA-N 2 1 294.399 -0.404 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)C[NH2+]C[C@H]2CCCO2)n1C ZINC000430718097 282319736 /nfs/dbraw/zinc/31/97/36/282319736.db2.gz BJMPIUKGSLHPMM-GFCCVEGCSA-N 2 1 295.387 -0.129 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351591689 219137057 /nfs/dbraw/zinc/13/70/57/219137057.db2.gz GGKHTDLMYFTPKX-TZMCWYRMSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351591688 219137926 /nfs/dbraw/zinc/13/79/26/219137926.db2.gz GGKHTDLMYFTPKX-OCCSQVGLSA-N 2 1 271.405 -0.560 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000366975560 530067113 /nfs/dbraw/zinc/06/71/13/530067113.db2.gz LKZOIJXQDWVNGK-CQSZACIVSA-N 2 1 296.415 -0.833 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000366975560 530067114 /nfs/dbraw/zinc/06/71/14/530067114.db2.gz LKZOIJXQDWVNGK-CQSZACIVSA-N 2 1 296.415 -0.833 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)C1CCOCC1)C1CC1 ZINC000351607720 219144785 /nfs/dbraw/zinc/14/47/85/219144785.db2.gz XLMVXZUPJQNYTN-KBPBESRZSA-N 2 1 272.389 -0.181 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CO)C1CCOCC1)C1CC1 ZINC000351607720 219144787 /nfs/dbraw/zinc/14/47/87/219144787.db2.gz XLMVXZUPJQNYTN-KBPBESRZSA-N 2 1 272.389 -0.181 20 0 CBADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CC[NH+]1CCO ZINC000351611703 219146287 /nfs/dbraw/zinc/14/62/87/219146287.db2.gz RWZRFTTVWOWOTD-TZMCWYRMSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CC[N@@H+]1CCO ZINC000351611703 219146289 /nfs/dbraw/zinc/14/62/89/219146289.db2.gz RWZRFTTVWOWOTD-TZMCWYRMSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CC[N@H+]1CCO ZINC000351611703 219146291 /nfs/dbraw/zinc/14/62/91/219146291.db2.gz RWZRFTTVWOWOTD-TZMCWYRMSA-N 2 1 271.405 -0.560 20 0 CBADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000351653450 219164187 /nfs/dbraw/zinc/16/41/87/219164187.db2.gz VRQHNKKYLXQYPB-YNEHKIRRSA-N 2 1 269.389 -0.054 20 0 CBADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351653450 219164188 /nfs/dbraw/zinc/16/41/88/219164188.db2.gz VRQHNKKYLXQYPB-YNEHKIRRSA-N 2 1 269.389 -0.054 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)[C@H](O)C2)CC1 ZINC000351776034 219204255 /nfs/dbraw/zinc/20/42/55/219204255.db2.gz XNUKRIZNZYVONO-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H](C(=O)NCCC[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000163875605 295777343 /nfs/dbraw/zinc/77/73/43/295777343.db2.gz CFINQIRZKCDCTR-LLVKDONJSA-N 2 1 255.362 -0.320 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000128848420 187394208 /nfs/dbraw/zinc/39/42/08/187394208.db2.gz GHEHAIPKOLINIA-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000087518734 179439230 /nfs/dbraw/zinc/43/92/30/179439230.db2.gz FOFGXECKXRMTEE-LBPRGKRZSA-N 2 1 284.404 -0.456 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000339637629 215282636 /nfs/dbraw/zinc/28/26/36/215282636.db2.gz FSMAOOMASHTHOV-UHFFFAOYSA-N 2 1 282.388 -0.593 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091549060 180188465 /nfs/dbraw/zinc/18/84/65/180188465.db2.gz VUWQCCQOASCCPT-CHWSQXEVSA-N 2 1 268.405 -0.133 20 0 CBADMP COCC[NH2+]CC(=O)NCCC[NH+]1CCOCC1 ZINC000092495179 180396700 /nfs/dbraw/zinc/39/67/00/180396700.db2.gz BUWJOHKGNQFCGO-UHFFFAOYSA-N 2 1 259.350 -0.939 20 0 CBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000037020400 351396376 /nfs/dbraw/zinc/39/63/76/351396376.db2.gz PRPJOHPXMXINJE-GWCFXTLKSA-N 2 1 284.404 -0.314 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000037628831 351401589 /nfs/dbraw/zinc/40/15/89/351401589.db2.gz YITWCIJNTTYLMD-QWHCGFSZSA-N 2 1 290.367 -0.420 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000037628831 351401593 /nfs/dbraw/zinc/40/15/93/351401593.db2.gz YITWCIJNTTYLMD-QWHCGFSZSA-N 2 1 290.367 -0.420 20 0 CBADMP O=C(C[C@H]1CCC[NH2+]1)NCCC[NH+]1CCOCC1 ZINC000042165952 351427804 /nfs/dbraw/zinc/42/78/04/351427804.db2.gz XUWRNHBTUKFXMJ-GFCCVEGCSA-N 2 1 255.362 -0.033 20 0 CBADMP C[NH2+]CCCC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000037819292 351407988 /nfs/dbraw/zinc/40/79/88/351407988.db2.gz BOJQGXGHZSISSF-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP C[NH2+]CCCC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000037819292 351407989 /nfs/dbraw/zinc/40/79/89/351407989.db2.gz BOJQGXGHZSISSF-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CC(C)[N@@H+](C)CC1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000037826063 351409020 /nfs/dbraw/zinc/40/90/20/351409020.db2.gz NEXSPJKISPXXGJ-UHFFFAOYSA-N 2 1 284.404 -0.360 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000040808757 351419657 /nfs/dbraw/zinc/41/96/57/351419657.db2.gz NOASZYJDEWDFEF-CYBMUJFWSA-N 2 1 268.405 -0.118 20 0 CBADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000049553633 351494734 /nfs/dbraw/zinc/49/47/34/351494734.db2.gz AJNWTZUAICQHIB-JTQLQIEISA-N 2 1 268.361 -0.486 20 0 CBADMP CC[C@H]1COCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298684 351526820 /nfs/dbraw/zinc/52/68/20/351526820.db2.gz KPIGPKBSEVVXCZ-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000053298760 351526891 /nfs/dbraw/zinc/52/68/91/351526891.db2.gz IXEXVZQVYIDLEP-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCCO1 ZINC000061918632 351573678 /nfs/dbraw/zinc/57/36/78/351573678.db2.gz QXXQMKJLSYHDEI-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCCO1 ZINC000061918631 351573717 /nfs/dbraw/zinc/57/37/17/351573717.db2.gz QXXQMKJLSYHDEI-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP Cn1ccnc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179746 351580263 /nfs/dbraw/zinc/58/02/63/351580263.db2.gz VFFBHJUBXLYDGT-LLVKDONJSA-N 2 1 265.361 -0.293 20 0 CBADMP Cn1ccnc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179746 351580269 /nfs/dbraw/zinc/58/02/69/351580269.db2.gz VFFBHJUBXLYDGT-LLVKDONJSA-N 2 1 265.361 -0.293 20 0 CBADMP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179991 351580380 /nfs/dbraw/zinc/58/03/80/351580380.db2.gz FVOVYBDRMWKUBT-QWRGUYRKSA-N 2 1 271.361 -0.275 20 0 CBADMP CCOC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179991 351580383 /nfs/dbraw/zinc/58/03/83/351580383.db2.gz FVOVYBDRMWKUBT-QWRGUYRKSA-N 2 1 271.361 -0.275 20 0 CBADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180343 351580668 /nfs/dbraw/zinc/58/06/68/351580668.db2.gz YAQGEFUHESKOGI-OLZOCXBDSA-N 2 1 298.431 -0.066 20 0 CBADMP CC(C)(C)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179681 351580789 /nfs/dbraw/zinc/58/07/89/351580789.db2.gz IUUOAHAAJGPSEF-LLVKDONJSA-N 2 1 284.404 -0.312 20 0 CBADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCN1C(=O)CNC1=O ZINC000070149704 351635970 /nfs/dbraw/zinc/63/59/70/351635970.db2.gz YBAIZPMADMJGLX-SNVBAGLBSA-N 2 1 254.334 -0.259 20 0 CBADMP CCCNC(=O)NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150491 351642983 /nfs/dbraw/zinc/64/29/83/351642983.db2.gz LQTJQXXLWGDPJH-UHFFFAOYSA-N 2 1 285.392 -0.941 20 0 CBADMP CCCNC(=O)NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150491 351642985 /nfs/dbraw/zinc/64/29/85/351642985.db2.gz LQTJQXXLWGDPJH-UHFFFAOYSA-N 2 1 285.392 -0.941 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000071875874 351644531 /nfs/dbraw/zinc/64/45/31/351644531.db2.gz GVYPSDAQKKRKCE-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000071875874 351644532 /nfs/dbraw/zinc/64/45/32/351644532.db2.gz GVYPSDAQKKRKCE-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000071875871 351644833 /nfs/dbraw/zinc/64/48/33/351644833.db2.gz GVYPSDAQKKRKCE-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000071875871 351644835 /nfs/dbraw/zinc/64/48/35/351644835.db2.gz GVYPSDAQKKRKCE-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](CCOC)CC2)C1 ZINC000073075569 351653415 /nfs/dbraw/zinc/65/34/15/351653415.db2.gz DAJXUSUVOSALBM-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](CCOC)CC2)C1 ZINC000073075569 351653419 /nfs/dbraw/zinc/65/34/19/351653419.db2.gz DAJXUSUVOSALBM-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](CCOC)CC2)C1 ZINC000073075569 351653420 /nfs/dbraw/zinc/65/34/20/351653420.db2.gz DAJXUSUVOSALBM-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](CCOC)CC2)C1 ZINC000073075569 351653424 /nfs/dbraw/zinc/65/34/24/351653424.db2.gz DAJXUSUVOSALBM-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000068807762 351621898 /nfs/dbraw/zinc/62/18/98/351621898.db2.gz YYEKGFDHKNOFEC-RYUDHWBXSA-N 2 1 256.394 -0.278 20 0 CBADMP NC(=O)[C@H]1CCC[NH+]1CCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000077282614 351681393 /nfs/dbraw/zinc/68/13/93/351681393.db2.gz LWJMJEFAUBDGCY-VXGBXAGGSA-N 2 1 282.388 -0.334 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079514165 351693123 /nfs/dbraw/zinc/69/31/23/351693123.db2.gz WXMZFJMVXRDORV-AWEZNQCLSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081234248 351702443 /nfs/dbraw/zinc/70/24/43/351702443.db2.gz JZQWOZGKGYXTTG-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081234248 351702447 /nfs/dbraw/zinc/70/24/47/351702447.db2.gz JZQWOZGKGYXTTG-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081234248 351702454 /nfs/dbraw/zinc/70/24/54/351702454.db2.gz JZQWOZGKGYXTTG-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081234248 351702457 /nfs/dbraw/zinc/70/24/57/351702457.db2.gz JZQWOZGKGYXTTG-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP COC[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000081066038 351703379 /nfs/dbraw/zinc/70/33/79/351703379.db2.gz MKJAHDQEDRPWAY-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+](C)CCOC)C1 ZINC000081255936 351704264 /nfs/dbraw/zinc/70/42/64/351704264.db2.gz QJYMXZWPMMRICP-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH+](C)CCOC)C1 ZINC000081255936 351704268 /nfs/dbraw/zinc/70/42/68/351704268.db2.gz QJYMXZWPMMRICP-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCCC[N@H+](C)CCOC)C1 ZINC000081255936 351704270 /nfs/dbraw/zinc/70/42/70/351704270.db2.gz QJYMXZWPMMRICP-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCCC[N@@H+](C)CCOC)C1 ZINC000081255936 351704274 /nfs/dbraw/zinc/70/42/74/351704274.db2.gz QJYMXZWPMMRICP-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000088371008 351724369 /nfs/dbraw/zinc/72/43/69/351724369.db2.gz CSHAGRNEQXWVIM-AWEZNQCLSA-N 2 1 297.399 -0.454 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)C[NH+]1CCCC1 ZINC000088372337 351725224 /nfs/dbraw/zinc/72/52/24/351725224.db2.gz BZLXVNGTPLDGRK-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP CN(CCC(=O)N1CC[NH2+]CC1)C[C@@H]1CCC[N@H+]1C ZINC000092629177 351752046 /nfs/dbraw/zinc/75/20/46/351752046.db2.gz UZUFTLGYTCITMO-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CCC[C@H]1C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000092629177 351752049 /nfs/dbraw/zinc/75/20/49/351752049.db2.gz UZUFTLGYTCITMO-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CCC[C@H]1C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000092629177 351752051 /nfs/dbraw/zinc/75/20/51/351752051.db2.gz UZUFTLGYTCITMO-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000111617909 351803789 /nfs/dbraw/zinc/80/37/89/351803789.db2.gz BHLVISUETDKZNR-AWEZNQCLSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000111617909 351803792 /nfs/dbraw/zinc/80/37/92/351803792.db2.gz BHLVISUETDKZNR-AWEZNQCLSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@@H](C(=O)NC(N)=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843570 351829667 /nfs/dbraw/zinc/82/96/67/351829667.db2.gz METGSSYEXKDGGU-VHSXEESVSA-N 2 1 256.350 -0.157 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000126301770 351858898 /nfs/dbraw/zinc/85/88/98/351858898.db2.gz RCHBVXQYBHNAIX-YPMHNXCESA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH+](C)CC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000128871788 351866099 /nfs/dbraw/zinc/86/60/99/351866099.db2.gz ACONOSPSGIKECZ-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129157024 351868262 /nfs/dbraw/zinc/86/82/62/351868262.db2.gz NQXSVKFKPMTYTN-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000129206579 351869051 /nfs/dbraw/zinc/86/90/51/351869051.db2.gz STDHAEKCAIFRNU-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP C[C@@H]1C[C@H](N(C)CC(=O)N2CCNC(=O)C2)CC[N@H+]1C ZINC000123837200 187110911 /nfs/dbraw/zinc/11/09/11/187110911.db2.gz XIOAMPSUSGEERT-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000136309109 351919927 /nfs/dbraw/zinc/91/99/27/351919927.db2.gz FAWXADAUKDHKPL-UHFFFAOYSA-N 2 1 293.371 -0.528 20 0 CBADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000136309109 351919930 /nfs/dbraw/zinc/91/99/30/351919930.db2.gz FAWXADAUKDHKPL-UHFFFAOYSA-N 2 1 293.371 -0.528 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000137301690 351922000 /nfs/dbraw/zinc/92/20/00/351922000.db2.gz FLNQJLSQPNKNFB-CYBMUJFWSA-N 2 1 268.405 -0.133 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000131590155 351887986 /nfs/dbraw/zinc/88/79/86/351887986.db2.gz XUWLDJXBMRWKBW-DGCLKSJQSA-N 2 1 282.388 -0.654 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000131590155 351887989 /nfs/dbraw/zinc/88/79/89/351887989.db2.gz XUWLDJXBMRWKBW-DGCLKSJQSA-N 2 1 282.388 -0.654 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000132907105 351895869 /nfs/dbraw/zinc/89/58/69/351895869.db2.gz YETBHOUKOSETNZ-SRVKXCTJSA-N 2 1 253.346 -0.282 20 0 CBADMP O[C@H]1CCCN(CC2(C[N@H+]3CCC[C@H](O)C3)COC2)C1 ZINC000157341246 351954871 /nfs/dbraw/zinc/95/48/71/351954871.db2.gz CHCCGFJBGNHXKM-KBPBESRZSA-N 2 1 284.400 -0.084 20 0 CBADMP O[C@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@H](O)C3)COC2)C1 ZINC000157341246 351954875 /nfs/dbraw/zinc/95/48/75/351954875.db2.gz CHCCGFJBGNHXKM-KBPBESRZSA-N 2 1 284.400 -0.084 20 0 CBADMP O[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](O)C3)COC2)C1 ZINC000157341246 351954878 /nfs/dbraw/zinc/95/48/78/351954878.db2.gz CHCCGFJBGNHXKM-KBPBESRZSA-N 2 1 284.400 -0.084 20 0 CBADMP O=C1CC[NH+](CCCC[N@H+]2CCNC(=O)CC2)CCN1 ZINC000157874126 351957901 /nfs/dbraw/zinc/95/79/01/351957901.db2.gz NGWYUZTVNVIDMD-UHFFFAOYSA-N 2 1 282.388 -0.590 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@@]1(F)CC[NH2+]C1 ZINC000163385440 351981932 /nfs/dbraw/zinc/98/19/32/351981932.db2.gz HIZWWDCEYVDYOT-GFCCVEGCSA-N 2 1 259.325 -0.474 20 0 CBADMP COCC[N@H+](C)CCCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000165307853 351985360 /nfs/dbraw/zinc/98/53/60/351985360.db2.gz UVVRAFNAARLBNX-JTQLQIEISA-N 2 1 261.391 -0.267 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000165307853 351985366 /nfs/dbraw/zinc/98/53/66/351985366.db2.gz UVVRAFNAARLBNX-JTQLQIEISA-N 2 1 261.391 -0.267 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CN1CCNCC1=O ZINC000166028963 351986957 /nfs/dbraw/zinc/98/69/57/351986957.db2.gz MANUAFBFZXGLGN-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000166821515 351987234 /nfs/dbraw/zinc/98/72/34/351987234.db2.gz JZGOXCMLPVQNQK-UHFFFAOYSA-N 2 1 273.377 -0.551 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000167978291 351990796 /nfs/dbraw/zinc/99/07/96/351990796.db2.gz XTGMUTNLIGIQEK-QJPTWQEYSA-N 2 1 257.378 -0.117 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000167978291 351990798 /nfs/dbraw/zinc/99/07/98/351990798.db2.gz XTGMUTNLIGIQEK-QJPTWQEYSA-N 2 1 257.378 -0.117 20 0 CBADMP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H]1CC ZINC000168088471 351991242 /nfs/dbraw/zinc/99/12/42/351991242.db2.gz WKXNDAGQKPXGOR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H]1CC ZINC000168088471 351991246 /nfs/dbraw/zinc/99/12/46/351991246.db2.gz WKXNDAGQKPXGOR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000168939397 351995061 /nfs/dbraw/zinc/99/50/61/351995061.db2.gz JOZAUNRZPGKWFO-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174718409 352049253 /nfs/dbraw/zinc/04/92/53/352049253.db2.gz OUJBMPXXHYSMJB-NSHDSACASA-N 2 1 285.392 -0.861 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000174724659 352051167 /nfs/dbraw/zinc/05/11/67/352051167.db2.gz NDHDTRVGIJMRFJ-WCQYABFASA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000174724659 352051169 /nfs/dbraw/zinc/05/11/69/352051169.db2.gz NDHDTRVGIJMRFJ-WCQYABFASA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000174724659 352051172 /nfs/dbraw/zinc/05/11/72/352051172.db2.gz NDHDTRVGIJMRFJ-WCQYABFASA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000174724659 352051176 /nfs/dbraw/zinc/05/11/76/352051176.db2.gz NDHDTRVGIJMRFJ-WCQYABFASA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000174851794 352052518 /nfs/dbraw/zinc/05/25/18/352052518.db2.gz UDZSOGDYCWMDCY-NEPJUHHUSA-N 2 1 255.362 -0.273 20 0 CBADMP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000174851794 352052519 /nfs/dbraw/zinc/05/25/19/352052519.db2.gz UDZSOGDYCWMDCY-NEPJUHHUSA-N 2 1 255.362 -0.273 20 0 CBADMP CN(CC[NH+](C)C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000176205981 352063715 /nfs/dbraw/zinc/06/37/15/352063715.db2.gz SGPXXKXUXAYXJD-UHFFFAOYSA-N 2 1 299.419 -0.647 20 0 CBADMP COCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000172749755 352030263 /nfs/dbraw/zinc/03/02/63/352030263.db2.gz LPRCWLJQMJVQRH-NSHDSACASA-N 2 1 259.350 -0.989 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000172749755 352030265 /nfs/dbraw/zinc/03/02/65/352030265.db2.gz LPRCWLJQMJVQRH-NSHDSACASA-N 2 1 259.350 -0.989 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000172749755 352030268 /nfs/dbraw/zinc/03/02/68/352030268.db2.gz LPRCWLJQMJVQRH-NSHDSACASA-N 2 1 259.350 -0.989 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000172749755 352030270 /nfs/dbraw/zinc/03/02/70/352030270.db2.gz LPRCWLJQMJVQRH-NSHDSACASA-N 2 1 259.350 -0.989 20 0 CBADMP [NH3+]C1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCCC1 ZINC000186720415 352129849 /nfs/dbraw/zinc/12/98/49/352129849.db2.gz SLSGAAHPDXSZBG-LBPRGKRZSA-N 2 1 294.399 -0.319 20 0 CBADMP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000186717407 352130175 /nfs/dbraw/zinc/13/01/75/352130175.db2.gz WBVPLKXIYDSYNV-LBPRGKRZSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000186717407 352130176 /nfs/dbraw/zinc/13/01/76/352130176.db2.gz WBVPLKXIYDSYNV-LBPRGKRZSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000186717407 352130178 /nfs/dbraw/zinc/13/01/78/352130178.db2.gz WBVPLKXIYDSYNV-LBPRGKRZSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000186717407 352130179 /nfs/dbraw/zinc/13/01/79/352130179.db2.gz WBVPLKXIYDSYNV-LBPRGKRZSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000186717428 352130446 /nfs/dbraw/zinc/13/04/46/352130446.db2.gz WBVPLKXIYDSYNV-GFCCVEGCSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000186717428 352130449 /nfs/dbraw/zinc/13/04/49/352130449.db2.gz WBVPLKXIYDSYNV-GFCCVEGCSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000186717428 352130451 /nfs/dbraw/zinc/13/04/51/352130451.db2.gz WBVPLKXIYDSYNV-GFCCVEGCSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000186717428 352130455 /nfs/dbraw/zinc/13/04/55/352130455.db2.gz WBVPLKXIYDSYNV-GFCCVEGCSA-N 2 1 255.362 -0.130 20 0 CBADMP CCC[C@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186682462 352130481 /nfs/dbraw/zinc/13/04/81/352130481.db2.gz XMLSDQAAKLYNEH-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000178699833 352080737 /nfs/dbraw/zinc/08/07/37/352080737.db2.gz KWJHEICDLSUSSV-UHFFFAOYSA-N 2 1 296.415 -0.214 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000178811409 352083572 /nfs/dbraw/zinc/08/35/72/352083572.db2.gz KMOBDOQLYXTRGA-UHFFFAOYSA-N 2 1 287.404 -0.161 20 0 CBADMP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000178815988 352083788 /nfs/dbraw/zinc/08/37/88/352083788.db2.gz OSZVBGURYGBIQJ-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H](C)[NH3+])CC2)C1 ZINC000178884922 352085943 /nfs/dbraw/zinc/08/59/43/352085943.db2.gz GJXXJFRDJGHJCD-KGLIPLIRSA-N 2 1 298.431 -0.413 20 0 CBADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000179856161 352092756 /nfs/dbraw/zinc/09/27/56/352092756.db2.gz NAYDRVBREFWGTH-JSGCOSHPSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000179856176 352093185 /nfs/dbraw/zinc/09/31/85/352093185.db2.gz NAYDRVBREFWGTH-OCCSQVGLSA-N 2 1 299.415 -0.474 20 0 CBADMP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]2CCC[NH2+]C2)cn1 ZINC000181391011 352099390 /nfs/dbraw/zinc/09/93/90/352099390.db2.gz NXRHXZBZQUSNHM-YPMHNXCESA-N 2 1 277.372 -0.107 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188796471 352159354 /nfs/dbraw/zinc/15/93/54/352159354.db2.gz ZPJPCFYODDGQPZ-QWHCGFSZSA-N 2 1 286.395 -0.170 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187945297 352144439 /nfs/dbraw/zinc/14/44/39/352144439.db2.gz ZQGCLEHTDUCWPB-FRRDWIJNSA-N 2 1 285.388 -0.410 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187966038 352145360 /nfs/dbraw/zinc/14/53/60/352145360.db2.gz XCKWUJPCJHQDHL-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000187952628 352145400 /nfs/dbraw/zinc/14/54/00/352145400.db2.gz NVOKQKRAOFGFRC-SDDRHHMPSA-N 2 1 253.346 -0.330 20 0 CBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000188049684 352146022 /nfs/dbraw/zinc/14/60/22/352146022.db2.gz CBGTZIZJTKYZAC-RWMBFGLXSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000188052633 352146476 /nfs/dbraw/zinc/14/64/76/352146476.db2.gz NSVOZJONNRLVKW-FRRDWIJNSA-N 2 1 285.388 -0.410 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@@H+]1CCOC ZINC000188188476 352148652 /nfs/dbraw/zinc/14/86/52/352148652.db2.gz CTAJANWOJYTRGA-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@H+]1CCOC ZINC000188188476 352148655 /nfs/dbraw/zinc/14/86/55/352148655.db2.gz CTAJANWOJYTRGA-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000219035201 352236691 /nfs/dbraw/zinc/23/66/91/352236691.db2.gz HDWDKXYBRLZPKL-JQWIXIFHSA-N 2 1 270.377 -0.704 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@H]1COCC[NH2+]1)C1CC1 ZINC000219932870 352238042 /nfs/dbraw/zinc/23/80/42/352238042.db2.gz PQZYWKDXLQRLLC-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000220667410 352238805 /nfs/dbraw/zinc/23/88/05/352238805.db2.gz KFQFZQJIXIFIIH-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC(C)[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221171292 352240327 /nfs/dbraw/zinc/24/03/27/352240327.db2.gz RKPRQKUQWFKUTE-CHWSQXEVSA-N 2 1 298.431 -0.066 20 0 CBADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000195164339 352222417 /nfs/dbraw/zinc/22/24/17/352222417.db2.gz FEWMYAMUQXOOAB-GFCCVEGCSA-N 2 1 282.388 -0.687 20 0 CBADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000245418311 352318760 /nfs/dbraw/zinc/31/87/60/352318760.db2.gz AUEIUUCXGSWFIE-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP C[C@H]1CN(C)CC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000235577434 352287866 /nfs/dbraw/zinc/28/78/66/352287866.db2.gz WYHRDJHUKAANAC-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1CCC(=O)N1CC[NH2+]CC1 ZINC000235577434 352287867 /nfs/dbraw/zinc/28/78/67/352287867.db2.gz WYHRDJHUKAANAC-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1CCC(=O)N1CC[NH2+]CC1 ZINC000235577434 352287868 /nfs/dbraw/zinc/28/78/68/352287868.db2.gz WYHRDJHUKAANAC-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000236844823 352294824 /nfs/dbraw/zinc/29/48/24/352294824.db2.gz QLKKLDLBMTZGBD-ZDUSSCGKSA-N 2 1 270.421 -0.014 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000236897604 352296352 /nfs/dbraw/zinc/29/63/52/352296352.db2.gz DHFLVCLKCPIEIS-GFCCVEGCSA-N 2 1 255.362 -0.096 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000236897604 352296354 /nfs/dbraw/zinc/29/63/54/352296354.db2.gz DHFLVCLKCPIEIS-GFCCVEGCSA-N 2 1 255.362 -0.096 20 0 CBADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237045275 352297929 /nfs/dbraw/zinc/29/79/29/352297929.db2.gz QIQHHNBRDVROKS-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000237067737 352298910 /nfs/dbraw/zinc/29/89/10/352298910.db2.gz BAADUSHXIMYTGO-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[NH3+])cc2)CC1 ZINC000237135006 352299277 /nfs/dbraw/zinc/29/92/77/352299277.db2.gz CXAPXZBPVKMBGX-UHFFFAOYSA-N 2 1 290.367 -0.100 20 0 CBADMP C[NH+](C)CCN1CCC(CNC(=O)C2([NH3+])CC2)CC1 ZINC000237155610 352300743 /nfs/dbraw/zinc/30/07/43/352300743.db2.gz ZVMYBVWTJZKWAW-UHFFFAOYSA-N 2 1 268.405 -0.133 20 0 CBADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000237156432 352300771 /nfs/dbraw/zinc/30/07/71/352300771.db2.gz GAVLDRLYGRTZGA-AWEZNQCLSA-N 2 1 298.431 -0.635 20 0 CBADMP CN(C(=O)[C@H]1CN(C)CCO1)[C@H]1CCC[N@@H+](C)C1 ZINC000245439230 352319908 /nfs/dbraw/zinc/31/99/08/352319908.db2.gz SQPJWZANGNYUOO-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(C(=O)[C@H]1CN(C)CCO1)[C@@H]1CCC[N@@H+](C)C1 ZINC000245439232 352319945 /nfs/dbraw/zinc/31/99/45/352319945.db2.gz SQPJWZANGNYUOO-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP COCC[NH2+]CC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237180068 352301757 /nfs/dbraw/zinc/30/17/57/352301757.db2.gz YDRRRTBYOVBDCE-BETUJISGSA-N 2 1 287.404 -0.162 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000237595882 352308158 /nfs/dbraw/zinc/30/81/58/352308158.db2.gz OSUSZTKHKGJZNH-QWHCGFSZSA-N 2 1 268.405 -0.262 20 0 CBADMP OC[C@@H]1CCCN(C[C@@H](O)C[N@H+]2CCC[C@H](CO)C2)C1 ZINC000245894695 352325885 /nfs/dbraw/zinc/32/58/85/352325885.db2.gz CUORCZQUUMYSNR-QDMKHBRRSA-N 2 1 286.416 -0.244 20 0 CBADMP OC[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCC[C@H](CO)C2)C1 ZINC000245894695 352325889 /nfs/dbraw/zinc/32/58/89/352325889.db2.gz CUORCZQUUMYSNR-QDMKHBRRSA-N 2 1 286.416 -0.244 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2COCCN2)CC[N@H+]1C[C@@H](C)O ZINC000246483475 352333775 /nfs/dbraw/zinc/33/37/75/352333775.db2.gz OUFVFNCKQUODFS-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP O[C@@H]1CCCN(CC2(C[N@H+]3CCC[C@@H](O)C3)COC2)C1 ZINC000246533012 352335353 /nfs/dbraw/zinc/33/53/53/352335353.db2.gz CHCCGFJBGNHXKM-ZIAGYGMSSA-N 2 1 284.400 -0.084 20 0 CBADMP O[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H](O)C3)COC2)C1 ZINC000246533012 352335356 /nfs/dbraw/zinc/33/53/56/352335356.db2.gz CHCCGFJBGNHXKM-ZIAGYGMSSA-N 2 1 284.400 -0.084 20 0 CBADMP O[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](O)C3)COC2)C1 ZINC000246533012 352335359 /nfs/dbraw/zinc/33/53/59/352335359.db2.gz CHCCGFJBGNHXKM-ZIAGYGMSSA-N 2 1 284.400 -0.084 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246724079 352337295 /nfs/dbraw/zinc/33/72/95/352337295.db2.gz XTGMUTNLIGIQEK-WOPDTQHZSA-N 2 1 257.378 -0.117 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246724079 352337297 /nfs/dbraw/zinc/33/72/97/352337297.db2.gz XTGMUTNLIGIQEK-WOPDTQHZSA-N 2 1 257.378 -0.117 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[NH+]1CCOCC1 ZINC000261901884 352399909 /nfs/dbraw/zinc/39/99/09/352399909.db2.gz WQYMWEJQKJAGTP-MCIONIFRSA-N 2 1 299.415 -0.034 20 0 CBADMP O[C@@H](CN1CCOCC1)CN1CCC[N@H+](C2CC2)CC1 ZINC000250198999 352372485 /nfs/dbraw/zinc/37/24/85/352372485.db2.gz BFJDABMKIPKKLE-OAHLLOKOSA-N 2 1 283.416 -0.150 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000251202421 352374436 /nfs/dbraw/zinc/37/44/36/352374436.db2.gz HBWBIQYXMQXKBM-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539409 352378357 /nfs/dbraw/zinc/37/83/57/352378357.db2.gz BNXRJKWPXBCNNV-SRVKXCTJSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000252616041 352378667 /nfs/dbraw/zinc/37/86/67/352378667.db2.gz ZNBSPUYMDZYNIT-SRVKXCTJSA-N 2 1 254.378 -0.654 20 0 CBADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000253165908 352381858 /nfs/dbraw/zinc/38/18/58/352381858.db2.gz ZOGNHFSEZRDIEU-FRRDWIJNSA-N 2 1 268.405 -0.264 20 0 CBADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1COCC[NH2+]1 ZINC000258894280 352386974 /nfs/dbraw/zinc/38/69/74/352386974.db2.gz IARTVTQSAYXDCF-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1COCC[NH2+]1 ZINC000258894280 352386975 /nfs/dbraw/zinc/38/69/75/352386975.db2.gz IARTVTQSAYXDCF-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+](CCOCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000261560922 352388071 /nfs/dbraw/zinc/38/80/71/352388071.db2.gz AJAWAJLMFHMTRD-JTQLQIEISA-N 2 1 250.364 -0.529 20 0 CBADMP CC[N@@H+](CCOCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000261560922 352388074 /nfs/dbraw/zinc/38/80/74/352388074.db2.gz AJAWAJLMFHMTRD-JTQLQIEISA-N 2 1 250.364 -0.529 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261564298 352388127 /nfs/dbraw/zinc/38/81/27/352388127.db2.gz HEOGDLUAIKRJMX-VHSXEESVSA-N 2 1 254.334 -0.627 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261564298 352388129 /nfs/dbraw/zinc/38/81/29/352388129.db2.gz HEOGDLUAIKRJMX-VHSXEESVSA-N 2 1 254.334 -0.627 20 0 CBADMP COC1(C(=O)N2CCC[N@@H+](C)CC2)CC[NH2+]CC1 ZINC000261580417 352388719 /nfs/dbraw/zinc/38/87/19/352388719.db2.gz QBDTZRDZOLAQLE-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000261577123 352389033 /nfs/dbraw/zinc/38/90/33/352389033.db2.gz OCYFIANGRNCWGJ-CYBMUJFWSA-N 2 1 255.362 -0.223 20 0 CBADMP COC[C@@]1(C(=O)NCC[N@@H+](C)C2CC2)CC[NH2+]C1 ZINC000261585219 352389954 /nfs/dbraw/zinc/38/99/54/352389954.db2.gz SVXZWYPONAOWMQ-CYBMUJFWSA-N 2 1 255.362 -0.177 20 0 CBADMP C[NH+](C)CC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000261625862 352392054 /nfs/dbraw/zinc/39/20/54/352392054.db2.gz VFVKAAQSALIEBT-UHFFFAOYSA-N 2 1 263.345 -0.009 20 0 CBADMP COC1(C(=O)NCC[NH+]2CCSCC2)CC[NH2+]CC1 ZINC000261651715 352392470 /nfs/dbraw/zinc/39/24/70/352392470.db2.gz YJADWLJZMIIURD-UHFFFAOYSA-N 2 1 287.429 -0.080 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cc[nH]n1 ZINC000262140751 352408566 /nfs/dbraw/zinc/40/85/66/352408566.db2.gz OPRDHQARLWROIP-UHFFFAOYSA-N 2 1 251.334 -0.337 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cc[nH]n1 ZINC000262140751 352408568 /nfs/dbraw/zinc/40/85/68/352408568.db2.gz OPRDHQARLWROIP-UHFFFAOYSA-N 2 1 251.334 -0.337 20 0 CBADMP CC[C@@H]1CN(C(=O)C2C[NH2+]C2)CC[N@H+]1CCOC ZINC000262271438 352413013 /nfs/dbraw/zinc/41/30/13/352413013.db2.gz TWZNSTVUFHTTNB-GFCCVEGCSA-N 2 1 255.362 -0.225 20 0 CBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262291814 352414452 /nfs/dbraw/zinc/41/44/52/352414452.db2.gz XSKPMCOUZNTKRL-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262291814 352414454 /nfs/dbraw/zinc/41/44/54/352414454.db2.gz XSKPMCOUZNTKRL-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CNC(=O)C[NH3+])C1 ZINC000262394612 352420334 /nfs/dbraw/zinc/42/03/34/352420334.db2.gz MTWBANOZRJQADL-LLVKDONJSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000262466161 352422400 /nfs/dbraw/zinc/42/24/00/352422400.db2.gz XUAGJXIIHYGCMP-NSHDSACASA-N 2 1 292.387 -0.214 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262490218 352423619 /nfs/dbraw/zinc/42/36/19/352423619.db2.gz ZFSUNTGFOHOBJT-TUAOUCFPSA-N 2 1 255.362 -0.491 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000262637334 352428979 /nfs/dbraw/zinc/42/89/79/352428979.db2.gz ILRUQAYUVUWIGJ-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[N@H+](C)CCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000262656105 352429684 /nfs/dbraw/zinc/42/96/84/352429684.db2.gz MKXJAHXOUXCXRG-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000262656105 352429687 /nfs/dbraw/zinc/42/96/87/352429687.db2.gz MKXJAHXOUXCXRG-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262682891 352430718 /nfs/dbraw/zinc/43/07/18/352430718.db2.gz YUCDMOMAEHKMAT-QJPTWQEYSA-N 2 1 255.362 -0.036 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000263110072 352437575 /nfs/dbraw/zinc/43/75/75/352437575.db2.gz DRNHPNCNVPONGX-JSGCOSHPSA-N 2 1 296.415 -0.219 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000263243383 352440033 /nfs/dbraw/zinc/44/00/33/352440033.db2.gz MAPQJQSOTCQVHF-GYSYKLTISA-N 2 1 296.415 -0.173 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000263225759 352440478 /nfs/dbraw/zinc/44/04/78/352440478.db2.gz GKTKIZGIMSQYNI-JKOKRWQUSA-N 2 1 296.415 -0.315 20 0 CBADMP COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262052755 352405097 /nfs/dbraw/zinc/40/50/97/352405097.db2.gz ZVTDWEILXLJPAI-NEPJUHHUSA-N 2 1 256.346 -0.016 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000262052348 352405180 /nfs/dbraw/zinc/40/51/80/352405180.db2.gz QHLLQGWQNWLQAU-CQSZACIVSA-N 2 1 278.356 -0.731 20 0 CBADMP [NH3+]CC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000269241298 352465279 /nfs/dbraw/zinc/46/52/79/352465279.db2.gz BKFBGMUUIYSTPZ-UHFFFAOYSA-N 2 1 277.372 -0.331 20 0 CBADMP Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)[NH+](C)C)cc1 ZINC000269743501 352480773 /nfs/dbraw/zinc/48/07/73/352480773.db2.gz WRSIHOXIESINSP-CHWSQXEVSA-N 2 1 292.383 -0.083 20 0 CBADMP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000270561063 352495798 /nfs/dbraw/zinc/49/57/98/352495798.db2.gz XJHZRQJXZCAWQW-CYBMUJFWSA-N 2 1 290.371 -0.200 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000312734053 352776201 /nfs/dbraw/zinc/77/62/01/352776201.db2.gz TUJWTDRZRYZOOB-HUUCEWRRSA-N 2 1 285.432 -0.047 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000312734053 352776203 /nfs/dbraw/zinc/77/62/03/352776203.db2.gz TUJWTDRZRYZOOB-HUUCEWRRSA-N 2 1 285.432 -0.047 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000312734053 352776207 /nfs/dbraw/zinc/77/62/07/352776207.db2.gz TUJWTDRZRYZOOB-HUUCEWRRSA-N 2 1 285.432 -0.047 20 0 CBADMP CC(=O)NCC[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000308179784 352754283 /nfs/dbraw/zinc/75/42/83/352754283.db2.gz GTLKJLZZBOFQPJ-GJZGRUSLSA-N 2 1 279.384 -0.015 20 0 CBADMP CC(=O)NCC[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000308179784 352754285 /nfs/dbraw/zinc/75/42/85/352754285.db2.gz GTLKJLZZBOFQPJ-GJZGRUSLSA-N 2 1 279.384 -0.015 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000310401120 352758999 /nfs/dbraw/zinc/75/89/99/352758999.db2.gz UNCBBFZNYRMQTD-MRVPVSSYSA-N 2 1 253.293 -0.337 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)Cn1cccn1 ZINC000311610468 352769185 /nfs/dbraw/zinc/76/91/85/352769185.db2.gz VLPNHBNUPDRKJD-CHWSQXEVSA-N 2 1 270.377 -0.200 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)Cn1cccn1 ZINC000311610468 352769187 /nfs/dbraw/zinc/76/91/87/352769187.db2.gz VLPNHBNUPDRKJD-CHWSQXEVSA-N 2 1 270.377 -0.200 20 0 CBADMP C[N@H+](CCCO)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000330490931 352834321 /nfs/dbraw/zinc/83/43/21/352834321.db2.gz NCBKDMCPRBHRBR-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@@H+](CCCO)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000330490931 352834325 /nfs/dbraw/zinc/83/43/25/352834325.db2.gz NCBKDMCPRBHRBR-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCCO)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000330490931 352834329 /nfs/dbraw/zinc/83/43/29/352834329.db2.gz NCBKDMCPRBHRBR-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000330490931 352834333 /nfs/dbraw/zinc/83/43/33/352834333.db2.gz NCBKDMCPRBHRBR-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000331390844 352911199 /nfs/dbraw/zinc/91/11/99/352911199.db2.gz MGDOFNUKSBUJBS-LOWVWBTDSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C[N@H+]1C1CC1 ZINC000331392676 352912112 /nfs/dbraw/zinc/91/21/12/352912112.db2.gz MUJGTFXBXAOBCB-TUAOUCFPSA-N 2 1 294.399 -0.452 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000331467370 352916928 /nfs/dbraw/zinc/91/69/28/352916928.db2.gz NREWFTOMAVMCEH-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000331492918 352918949 /nfs/dbraw/zinc/91/89/49/352918949.db2.gz RIVOYCOLZHSGDG-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC2(C[N@H+]1CC(=O)NC(N)=O)CC[NH2+]CC2 ZINC000331632760 352926296 /nfs/dbraw/zinc/92/62/96/352926296.db2.gz MADOBMSSRIMVDC-VIFPVBQESA-N 2 1 254.334 -0.355 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H]1[NH3+] ZINC000331681932 352926315 /nfs/dbraw/zinc/92/63/15/352926315.db2.gz UBJKOEFZJPXYJL-YVECIDJPSA-N 2 1 294.399 -0.465 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000331962444 352928493 /nfs/dbraw/zinc/92/84/93/352928493.db2.gz KNTNUAVUGRRJSO-UHFFFAOYSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)[C@H](C)C[NH2+]1 ZINC000332655119 352972369 /nfs/dbraw/zinc/97/23/69/352972369.db2.gz VTTJLTLZVUGJMR-UPJWGTAASA-N 2 1 294.399 -0.498 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332664699 352973697 /nfs/dbraw/zinc/97/36/97/352973697.db2.gz XUWSSCXLJISSHB-RYUDHWBXSA-N 2 1 280.372 -0.887 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332691042 352976985 /nfs/dbraw/zinc/97/69/85/352976985.db2.gz QMMYUEVWWFKVDS-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332691042 352976988 /nfs/dbraw/zinc/97/69/88/352976988.db2.gz QMMYUEVWWFKVDS-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332725397 352980130 /nfs/dbraw/zinc/98/01/30/352980130.db2.gz PONYXRADAGCHKY-OLZOCXBDSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332725397 352980134 /nfs/dbraw/zinc/98/01/34/352980134.db2.gz PONYXRADAGCHKY-OLZOCXBDSA-N 2 1 296.415 -0.217 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1C ZINC000332819824 352988069 /nfs/dbraw/zinc/98/80/69/352988069.db2.gz GPJCTKXOSCBFHL-OLZOCXBDSA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000332819824 352988070 /nfs/dbraw/zinc/98/80/70/352988070.db2.gz GPJCTKXOSCBFHL-OLZOCXBDSA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000332819824 352988072 /nfs/dbraw/zinc/98/80/72/352988072.db2.gz GPJCTKXOSCBFHL-OLZOCXBDSA-N 2 1 283.420 -0.374 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C[C@H](C)[NH2+]1 ZINC000332600827 352969890 /nfs/dbraw/zinc/96/98/90/352969890.db2.gz CWUCYMRHMJKYGK-XQQFMLRXSA-N 2 1 294.399 -0.498 20 0 CBADMP C[C@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)CC[NH2+]1 ZINC000333539576 353002226 /nfs/dbraw/zinc/00/22/26/353002226.db2.gz JBMFCMGSCWSMJR-LBPRGKRZSA-N 2 1 270.377 -0.288 20 0 CBADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N1CCNC(=O)C1)CC[NH2+]CC2 ZINC000333644520 353006498 /nfs/dbraw/zinc/00/64/98/353006498.db2.gz XVXBUEJGAWAWRA-GFCCVEGCSA-N 2 1 294.399 -0.591 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000333692931 353007758 /nfs/dbraw/zinc/00/77/58/353007758.db2.gz PXJFBGJPOONWGU-XQQFMLRXSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000333692926 353007921 /nfs/dbraw/zinc/00/79/21/353007921.db2.gz PXJFBGJPOONWGU-FRRDWIJNSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000333692924 353008030 /nfs/dbraw/zinc/00/80/30/353008030.db2.gz PXJFBGJPOONWGU-AGIUHOORSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000333692927 353008313 /nfs/dbraw/zinc/00/83/13/353008313.db2.gz PXJFBGJPOONWGU-RWMBFGLXSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000333764670 353010211 /nfs/dbraw/zinc/01/02/11/353010211.db2.gz BBMWBYGZYSUPCO-JHJVBQTASA-N 2 1 284.404 -0.308 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000333764670 353010213 /nfs/dbraw/zinc/01/02/13/353010213.db2.gz BBMWBYGZYSUPCO-JHJVBQTASA-N 2 1 284.404 -0.308 20 0 CBADMP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333754583 353010276 /nfs/dbraw/zinc/01/02/76/353010276.db2.gz ZOBHVWQEGKDFPO-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP O=C(NCCN1CC[NH2+]CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000333814270 353011818 /nfs/dbraw/zinc/01/18/18/353011818.db2.gz JXDMWVZWDXIOQT-CYBMUJFWSA-N 2 1 281.404 -0.619 20 0 CBADMP 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 353012050 /nfs/dbraw/zinc/01/20/50/353012050.db2.gz OCBVTSYEZPYNBM-NDBYEHHHSA-N 2 1 296.415 -0.309 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333872799 353012934 /nfs/dbraw/zinc/01/29/34/353012934.db2.gz UVXFMOCYLFCMJK-CHWSQXEVSA-N 2 1 284.404 -0.042 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333909385 353013767 /nfs/dbraw/zinc/01/37/67/353013767.db2.gz DNWJBPVTBQQWEM-LBPRGKRZSA-N 2 1 297.403 -0.798 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336828412 353061361 /nfs/dbraw/zinc/06/13/61/353061361.db2.gz PJTLRAZBLGZQDK-DGCLKSJQSA-N 2 1 286.420 -0.068 20 0 CBADMP CNS(=O)(=O)CCCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336795503 353053910 /nfs/dbraw/zinc/05/39/10/353053910.db2.gz KZNVMSOWBMEOKF-GFCCVEGCSA-N 2 1 275.418 -0.047 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336795503 353053913 /nfs/dbraw/zinc/05/39/13/353053913.db2.gz KZNVMSOWBMEOKF-GFCCVEGCSA-N 2 1 275.418 -0.047 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336795503 353053917 /nfs/dbraw/zinc/05/39/17/353053917.db2.gz KZNVMSOWBMEOKF-GFCCVEGCSA-N 2 1 275.418 -0.047 20 0 CBADMP CNS(=O)(=O)CCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336795503 353053918 /nfs/dbraw/zinc/05/39/18/353053918.db2.gz KZNVMSOWBMEOKF-GFCCVEGCSA-N 2 1 275.418 -0.047 20 0 CBADMP CNS(=O)(=O)CCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336795503 353053922 /nfs/dbraw/zinc/05/39/22/353053922.db2.gz KZNVMSOWBMEOKF-GFCCVEGCSA-N 2 1 275.418 -0.047 20 0 CBADMP C[C@@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)[NH+](C)C ZINC000338027710 353085383 /nfs/dbraw/zinc/08/53/83/353085383.db2.gz AMYBJQHQCFUVRH-RYUDHWBXSA-N 2 1 256.394 -0.311 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)C1([NH3+])CCOCC1 ZINC000338149126 353087262 /nfs/dbraw/zinc/08/72/62/353087262.db2.gz JGDHLMVDWZTANT-UHFFFAOYSA-N 2 1 273.377 -0.421 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000338264146 353091857 /nfs/dbraw/zinc/09/18/57/353091857.db2.gz OFSZCZGVWARPKR-NSHDSACASA-N 2 1 268.361 -0.900 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000338264146 353091858 /nfs/dbraw/zinc/09/18/58/353091858.db2.gz OFSZCZGVWARPKR-NSHDSACASA-N 2 1 268.361 -0.900 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2CO)CC1 ZINC000338249693 353091886 /nfs/dbraw/zinc/09/18/86/353091886.db2.gz KBEYUFSPEFQIRJ-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2CO)CC1 ZINC000338249693 353091887 /nfs/dbraw/zinc/09/18/87/353091887.db2.gz KBEYUFSPEFQIRJ-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP C[C@H](O)[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338293364 353093157 /nfs/dbraw/zinc/09/31/57/353093157.db2.gz YBXABIRLFZTIFA-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](O)[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338293364 353093161 /nfs/dbraw/zinc/09/31/61/353093161.db2.gz YBXABIRLFZTIFA-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CCO[C@@H]1COCC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338293048 353093534 /nfs/dbraw/zinc/09/35/34/353093534.db2.gz DSSUEVBRVPZJOU-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC1(CO)CC1 ZINC000338337860 353097147 /nfs/dbraw/zinc/09/71/47/353097147.db2.gz DSRFZSIFALVXQR-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC1(CO)CC1 ZINC000338337860 353097149 /nfs/dbraw/zinc/09/71/49/353097149.db2.gz DSRFZSIFALVXQR-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP C[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H]1CO ZINC000338374550 353099140 /nfs/dbraw/zinc/09/91/40/353099140.db2.gz URWZNXDVZQFMIC-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H]1CO ZINC000338374550 353099142 /nfs/dbraw/zinc/09/91/42/353099142.db2.gz URWZNXDVZQFMIC-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CO[C@H]1C[NH+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1OC ZINC000338385918 353100456 /nfs/dbraw/zinc/10/04/56/353100456.db2.gz QKYADHGHAYGYAO-STQMWFEESA-N 2 1 285.388 -0.504 20 0 CBADMP C[NH+](CCCCC[N@H+](C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000340222652 353158513 /nfs/dbraw/zinc/15/85/13/353158513.db2.gz QDCSEMNACOENFO-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]([NH3+])CC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000340184496 353154816 /nfs/dbraw/zinc/15/48/16/353154816.db2.gz MIECAGGNDWXRKE-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340483004 353172743 /nfs/dbraw/zinc/17/27/43/353172743.db2.gz ZWNGCGFNMBGNKK-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000340271030 353161224 /nfs/dbraw/zinc/16/12/24/353161224.db2.gz JFXDMRQDAJZZHC-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000340271030 353161225 /nfs/dbraw/zinc/16/12/25/353161225.db2.gz JFXDMRQDAJZZHC-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000340690704 353182550 /nfs/dbraw/zinc/18/25/50/353182550.db2.gz QMXPPYYIYXKUCV-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000341253656 353207341 /nfs/dbraw/zinc/20/73/41/353207341.db2.gz DDRBJEHDMDOIJJ-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000341253656 353207345 /nfs/dbraw/zinc/20/73/45/353207345.db2.gz DDRBJEHDMDOIJJ-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000341253656 353207347 /nfs/dbraw/zinc/20/73/47/353207347.db2.gz DDRBJEHDMDOIJJ-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C[NH+](C)C ZINC000341259767 353207428 /nfs/dbraw/zinc/20/74/28/353207428.db2.gz LFLDEILNUCQNQC-STQMWFEESA-N 2 1 268.405 -0.310 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC[NH+](C)C)CC1 ZINC000342679597 353227462 /nfs/dbraw/zinc/22/74/62/353227462.db2.gz LVIZTLZDXQWDKR-UHFFFAOYSA-N 2 1 285.392 -0.942 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000342687578 353227534 /nfs/dbraw/zinc/22/75/34/353227534.db2.gz BKROSHQZWSXRSX-GHMZBOCLSA-N 2 1 271.361 -0.133 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000342687581 353227634 /nfs/dbraw/zinc/22/76/34/353227634.db2.gz BKROSHQZWSXRSX-WDEREUQCSA-N 2 1 271.361 -0.133 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000342695883 353228141 /nfs/dbraw/zinc/22/81/41/353228141.db2.gz GLOPRDBWGOOILP-MNOVXSKESA-N 2 1 271.361 -0.133 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000342704044 353228994 /nfs/dbraw/zinc/22/89/94/353228994.db2.gz KYVHMKCTRTXKOM-YNEHKIRRSA-N 2 1 296.415 -0.170 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000342712391 353229021 /nfs/dbraw/zinc/22/90/21/353229021.db2.gz RMGZCUDXKZUYQT-KOLCDFICSA-N 2 1 271.361 -0.134 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000343130515 353254993 /nfs/dbraw/zinc/25/49/93/353254993.db2.gz PLLPQOBWAPIXFO-ZIAGYGMSSA-N 2 1 282.432 -0.062 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343179486 353257913 /nfs/dbraw/zinc/25/79/13/353257913.db2.gz LAQNBLKOJONMQF-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343179486 353257916 /nfs/dbraw/zinc/25/79/16/353257916.db2.gz LAQNBLKOJONMQF-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343179486 353257918 /nfs/dbraw/zinc/25/79/18/353257918.db2.gz LAQNBLKOJONMQF-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP [NH3+]C[C@@H](NC(=O)[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000155599894 188215536 /nfs/dbraw/zinc/21/55/36/188215536.db2.gz VVLMWMQBXBRSRN-NEPJUHHUSA-N 2 1 255.362 -0.001 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343485581 353274678 /nfs/dbraw/zinc/27/46/78/353274678.db2.gz RXSLIGMSBSCBTC-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343573324 353279599 /nfs/dbraw/zinc/27/95/99/353279599.db2.gz YSEMAKSBPYCNCS-OLZOCXBDSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343573324 353279603 /nfs/dbraw/zinc/27/96/03/353279603.db2.gz YSEMAKSBPYCNCS-OLZOCXBDSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343573324 353279606 /nfs/dbraw/zinc/27/96/06/353279606.db2.gz YSEMAKSBPYCNCS-OLZOCXBDSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343573324 353279608 /nfs/dbraw/zinc/27/96/08/353279608.db2.gz YSEMAKSBPYCNCS-OLZOCXBDSA-N 2 1 266.389 -0.461 20 0 CBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343305462 353266024 /nfs/dbraw/zinc/26/60/24/353266024.db2.gz JWXFYSYFWMFARP-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000343687237 353284607 /nfs/dbraw/zinc/28/46/07/353284607.db2.gz RACQNHMPIUZGFE-KGLIPLIRSA-N 2 1 296.415 -0.787 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000343687237 353284610 /nfs/dbraw/zinc/28/46/10/353284610.db2.gz RACQNHMPIUZGFE-KGLIPLIRSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343898869 353297188 /nfs/dbraw/zinc/29/71/88/353297188.db2.gz PNKSPPVNEXCVNI-SNPRPXQTSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343898869 353297190 /nfs/dbraw/zinc/29/71/90/353297190.db2.gz PNKSPPVNEXCVNI-SNPRPXQTSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343898869 353297192 /nfs/dbraw/zinc/29/71/92/353297192.db2.gz PNKSPPVNEXCVNI-SNPRPXQTSA-N 2 1 292.427 -0.025 20 0 CBADMP CC[NH+]1CCN(CC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000345521856 353334856 /nfs/dbraw/zinc/33/48/56/353334856.db2.gz LTCXRQFKAPCTDH-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP COC(=O)[C@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000345184630 353314690 /nfs/dbraw/zinc/31/46/90/353314690.db2.gz HHEUWRBCXMANKR-NSHDSACASA-N 2 1 285.388 -0.062 20 0 CBADMP C[NH+](C)C1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000345308927 353322216 /nfs/dbraw/zinc/32/22/16/353322216.db2.gz UKCJKWIQHSPNQD-GFCCVEGCSA-N 2 1 252.362 -0.851 20 0 CBADMP C[C@@H](C(=O)NCCOCC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000345949329 353356305 /nfs/dbraw/zinc/35/63/05/353356305.db2.gz FHTRLGNINUVWKT-ZDUSSCGKSA-N 2 1 286.420 -0.683 20 0 CBADMP C[NH+](C)CCOCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000346018695 353358523 /nfs/dbraw/zinc/35/85/23/353358523.db2.gz VGZRRERFKJGOOY-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000345721978 353345531 /nfs/dbraw/zinc/34/55/31/353345531.db2.gz LLKIEQBTUOHYQH-SECBINFHSA-N 2 1 292.330 -0.751 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000346536694 353382207 /nfs/dbraw/zinc/38/22/07/353382207.db2.gz TXOOOBMLRVRDBN-DGCLKSJQSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@H](CNC(=O)CNC(=O)C[NH3+])[N@H+]1CCCC[C@H]1C ZINC000347669010 353398590 /nfs/dbraw/zinc/39/85/90/353398590.db2.gz MGXYFSKUNQVRFF-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CC[N@H+]1C ZINC000347993778 353404025 /nfs/dbraw/zinc/40/40/25/353404025.db2.gz BTDPZLCLHXQGMZ-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H]1CN(C(=O)CCOC2C[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000348987144 353443368 /nfs/dbraw/zinc/44/33/68/353443368.db2.gz DZVUHIHLNWOIAN-GXTWGEPZSA-N 2 1 297.399 -0.456 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)CCOC2C[NH2+]C2)n1C ZINC000349006901 353444936 /nfs/dbraw/zinc/44/49/36/353444936.db2.gz UGETWXRINZUCPR-UHFFFAOYSA-N 2 1 281.360 -0.519 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@](C)(C(N)=O)C1)C1CC1 ZINC000352357425 353481938 /nfs/dbraw/zinc/48/19/38/353481938.db2.gz MZOCZSGHJUPFEW-DGCLKSJQSA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@](C)(C(N)=O)C1)C1CC1 ZINC000352357425 353481941 /nfs/dbraw/zinc/48/19/41/353481941.db2.gz MZOCZSGHJUPFEW-DGCLKSJQSA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1)C1CC1 ZINC000352357425 353481945 /nfs/dbraw/zinc/48/19/45/353481945.db2.gz MZOCZSGHJUPFEW-DGCLKSJQSA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@](C)(C(N)=O)C1)C1CC1 ZINC000352357425 353481948 /nfs/dbraw/zinc/48/19/48/353481948.db2.gz MZOCZSGHJUPFEW-DGCLKSJQSA-N 2 1 255.362 -0.361 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000349983496 353469206 /nfs/dbraw/zinc/46/92/06/353469206.db2.gz BIQVDAUKGXZAJM-LBPRGKRZSA-N 2 1 256.394 -0.133 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CC(N)=O)C1CCOCC1)C1CC1 ZINC000351582824 353475921 /nfs/dbraw/zinc/47/59/21/353475921.db2.gz RPRICVCUVCFWQI-KBPBESRZSA-N 2 1 299.415 -0.298 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CC(N)=O)C1CCOCC1)C1CC1 ZINC000351582824 353475922 /nfs/dbraw/zinc/47/59/22/353475922.db2.gz RPRICVCUVCFWQI-KBPBESRZSA-N 2 1 299.415 -0.298 20 0 CBADMP C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000351518588 353475980 /nfs/dbraw/zinc/47/59/80/353475980.db2.gz CRBGHLVSYSMVDF-CMPLNLGQSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000351860183 353477839 /nfs/dbraw/zinc/47/78/39/353477839.db2.gz HTEPZOICXRNCRQ-WUHRBBMRSA-N 2 1 296.415 -0.232 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCC1 ZINC000352783690 353505755 /nfs/dbraw/zinc/50/57/55/353505755.db2.gz KSIUCJJISYANJG-UHFFFAOYSA-N 2 1 268.405 -0.212 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)[C@@H]2C1 ZINC000352806326 353506246 /nfs/dbraw/zinc/50/62/46/353506246.db2.gz PZQQYHOXRYNGTF-RBSFLKMASA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)[C@@H]2C1 ZINC000352806326 353506247 /nfs/dbraw/zinc/50/62/47/353506247.db2.gz PZQQYHOXRYNGTF-RBSFLKMASA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)[C@@H]2C1 ZINC000352806326 353506249 /nfs/dbraw/zinc/50/62/49/353506249.db2.gz PZQQYHOXRYNGTF-RBSFLKMASA-N 2 1 292.427 -0.071 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)[C@H]2C1 ZINC000352806325 353506418 /nfs/dbraw/zinc/50/64/18/353506418.db2.gz PZQQYHOXRYNGTF-QLFBSQMISA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)[C@H]2C1 ZINC000352806325 353506419 /nfs/dbraw/zinc/50/64/19/353506419.db2.gz PZQQYHOXRYNGTF-QLFBSQMISA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)[C@H]2C1 ZINC000352806325 353506420 /nfs/dbraw/zinc/50/64/20/353506420.db2.gz PZQQYHOXRYNGTF-QLFBSQMISA-N 2 1 292.427 -0.071 20 0 CBADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353216783 353528299 /nfs/dbraw/zinc/52/82/99/353528299.db2.gz WOXNVCWASJESPV-OCCSQVGLSA-N 2 1 298.431 -0.018 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000353503619 353532931 /nfs/dbraw/zinc/53/29/31/353532931.db2.gz CCAGVJPCYZQWAA-NEPJUHHUSA-N 2 1 273.377 -0.567 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353535363 353533331 /nfs/dbraw/zinc/53/33/31/353533331.db2.gz VVQSLMDPVRLGBT-TUAOUCFPSA-N 2 1 273.377 -0.424 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[C@@H]1O ZINC000352660319 353500112 /nfs/dbraw/zinc/50/01/12/353500112.db2.gz NGUUNHHMKZOSNQ-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[C@@H]1O ZINC000352660319 353500114 /nfs/dbraw/zinc/50/01/14/353500114.db2.gz NGUUNHHMKZOSNQ-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NCC[NH+](C)C1CC1 ZINC000352732909 353504033 /nfs/dbraw/zinc/50/40/33/353504033.db2.gz VPFBIALSLWMWJJ-UHFFFAOYSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[NH+](C)CCNC(=O)NCC[N@H+](C)C1CC1 ZINC000352732909 353504035 /nfs/dbraw/zinc/50/40/35/353504035.db2.gz VPFBIALSLWMWJJ-UHFFFAOYSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[NH+](C)CCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000352732909 353504038 /nfs/dbraw/zinc/50/40/38/353504038.db2.gz VPFBIALSLWMWJJ-UHFFFAOYSA-N 2 1 272.393 -0.042 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354669539 353577023 /nfs/dbraw/zinc/57/70/23/353577023.db2.gz IIAMQWRLEQJDOK-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354692911 353578974 /nfs/dbraw/zinc/57/89/74/353578974.db2.gz OBYMTKWNGDALTG-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP CC[N@@H+](C)CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354710501 353579608 /nfs/dbraw/zinc/57/96/08/353579608.db2.gz OGVSWROBXIDVBR-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354702466 353579614 /nfs/dbraw/zinc/57/96/14/353579614.db2.gz YHDPSKXKILSDFQ-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354713195 353580561 /nfs/dbraw/zinc/58/05/61/353580561.db2.gz QJJQMZWVURYJJL-RYUDHWBXSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@H]1CC[NH+](C)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000355486574 353592694 /nfs/dbraw/zinc/59/26/94/353592694.db2.gz QJZZFJXWVXYIEI-KBPBESRZSA-N 2 1 297.447 -0.032 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N(C)CC[NH+](C)C)C1 ZINC000356087719 353596578 /nfs/dbraw/zinc/59/65/78/353596578.db2.gz JCTQGMYGVSKNSS-GFCCVEGCSA-N 2 1 272.393 -0.090 20 0 CBADMP C[N@@H+]1CC[C@](O)(CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000358079003 353625587 /nfs/dbraw/zinc/62/55/87/353625587.db2.gz NYUDBIFOFJRCHT-HNNXBMFYSA-N 2 1 299.415 -0.328 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000358079003 353625589 /nfs/dbraw/zinc/62/55/89/353625589.db2.gz NYUDBIFOFJRCHT-HNNXBMFYSA-N 2 1 299.415 -0.328 20 0 CBADMP CN(C)C(=O)N1CCC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358160265 353629853 /nfs/dbraw/zinc/62/98/53/353629853.db2.gz KFIMXHWRYVYCAM-AWEZNQCLSA-N 2 1 284.404 -0.211 20 0 CBADMP CN(C)C(=O)N1CCC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358160265 353629856 /nfs/dbraw/zinc/62/98/56/353629856.db2.gz KFIMXHWRYVYCAM-AWEZNQCLSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000358491423 353647286 /nfs/dbraw/zinc/64/72/86/353647286.db2.gz FDUKCHZTZRWSFQ-VXGBXAGGSA-N 2 1 272.393 -0.356 20 0 CBADMP C[C@H](C[NH+](C)C)NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358504448 353648434 /nfs/dbraw/zinc/64/84/34/353648434.db2.gz ROESMUNFMNSARP-PWSUYJOCSA-N 2 1 258.366 -0.698 20 0 CBADMP CN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000357900140 353613216 /nfs/dbraw/zinc/61/32/16/353613216.db2.gz BALMCPJXMAADGJ-TUAOUCFPSA-N 2 1 253.346 -0.596 20 0 CBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000357932945 353615593 /nfs/dbraw/zinc/61/55/93/353615593.db2.gz XYTVHQZBFOMYNE-BFHYXJOUSA-N 2 1 281.400 -0.101 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000357939370 353616048 /nfs/dbraw/zinc/61/60/48/353616048.db2.gz ZIYYYVWMOKTMAR-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1COC[C@H]1O)C1CC[NH+](C)CC1 ZINC000361328322 353661463 /nfs/dbraw/zinc/66/14/63/353661463.db2.gz KGKZKXPJBWXRRD-ZIAGYGMSSA-N 2 1 271.405 -0.296 20 0 CBADMP COCCOCC[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362827579 353668457 /nfs/dbraw/zinc/66/84/57/353668457.db2.gz AECHZWZMSCTECX-CYBMUJFWSA-N 2 1 285.388 -0.454 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[N@H+]1C1CC1 ZINC000365313097 353673660 /nfs/dbraw/zinc/67/36/60/353673660.db2.gz AKAPOVFZMYPARN-BSJXLVFVSA-N 2 1 253.346 -0.549 20 0 CBADMP C[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000370772017 353691664 /nfs/dbraw/zinc/69/16/64/353691664.db2.gz JCPRZSZGSWHTDS-TZMCWYRMSA-N 2 1 286.395 -0.312 20 0 CBADMP C[NH2+]CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000372099832 353710312 /nfs/dbraw/zinc/71/03/12/353710312.db2.gz YUGAXHMQAXJJIV-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(C)(C)[NH3+])CC2)C1 ZINC000372097957 353710363 /nfs/dbraw/zinc/71/03/63/353710363.db2.gz FHDPPCYLHFTDQR-GFCCVEGCSA-N 2 1 268.405 -0.038 20 0 CBADMP CC(C)([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372098183 353710448 /nfs/dbraw/zinc/71/04/48/353710448.db2.gz HIUFELJLEDFHEB-WDEREUQCSA-N 2 1 255.362 -0.219 20 0 CBADMP C[NH+](C)CCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372366713 353715286 /nfs/dbraw/zinc/71/52/86/353715286.db2.gz CBTSXUVMBRSOAC-NEPJUHHUSA-N 2 1 270.377 -0.290 20 0 CBADMP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CC[NH+](CC2CC2)CC1 ZINC000372355993 353715302 /nfs/dbraw/zinc/71/53/02/353715302.db2.gz KFLSLEQERNLPFG-OAHLLOKOSA-N 2 1 292.427 -0.070 20 0 CBADMP CCN1CCOC[C@H]1C(=O)NCCCCN1CCOCC1 ZINC000372842234 353722511 /nfs/dbraw/zinc/72/25/11/353722511.db2.gz VVESLKISLSPBOL-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP CC(=O)N1CCC[N@H+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000372977822 353725094 /nfs/dbraw/zinc/72/50/94/353725094.db2.gz JOMQNZRAKPLANZ-UHFFFAOYSA-N 2 1 296.415 -0.295 20 0 CBADMP CC(=O)N1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000372977822 353725097 /nfs/dbraw/zinc/72/50/97/353725097.db2.gz JOMQNZRAKPLANZ-UHFFFAOYSA-N 2 1 296.415 -0.295 20 0 CBADMP C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000373251645 353729563 /nfs/dbraw/zinc/72/95/63/353729563.db2.gz XPEUGOSGQJVSDS-MELADBBJSA-N 2 1 280.416 -0.358 20 0 CBADMP C[C@@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000373251645 353729567 /nfs/dbraw/zinc/72/95/67/353729567.db2.gz XPEUGOSGQJVSDS-MELADBBJSA-N 2 1 280.416 -0.358 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000374798508 353749499 /nfs/dbraw/zinc/74/94/99/353749499.db2.gz JVFCKNVKPSYVCB-RWMBFGLXSA-N 2 1 284.404 -0.803 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000374798508 353749500 /nfs/dbraw/zinc/74/95/00/353749500.db2.gz JVFCKNVKPSYVCB-RWMBFGLXSA-N 2 1 284.404 -0.803 20 0 CBADMP CN1CCN(C(=O)C[N@H+]2CC[C@H]3CCN(C)C[C@H]32)CC1 ZINC000375229766 353755903 /nfs/dbraw/zinc/75/59/03/353755903.db2.gz OYJGECRROZFSEX-ZIAGYGMSSA-N 2 1 280.416 -0.214 20 0 CBADMP C[NH2+]CCC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000375834873 353768321 /nfs/dbraw/zinc/76/83/21/353768321.db2.gz PLJMFNQCVARPLP-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C[C@@H]1C ZINC000376243756 353773431 /nfs/dbraw/zinc/77/34/31/353773431.db2.gz GUNFJXIMJSLEPT-PWNZVWSESA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C[C@@H]1C ZINC000376243756 353773434 /nfs/dbraw/zinc/77/34/34/353773434.db2.gz GUNFJXIMJSLEPT-PWNZVWSESA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000379959549 353782603 /nfs/dbraw/zinc/78/26/03/353782603.db2.gz DNFHLQFRFHERKN-QWRGUYRKSA-N 2 1 263.407 -0.206 20 0 CBADMP C[C@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000379959549 353782605 /nfs/dbraw/zinc/78/26/05/353782605.db2.gz DNFHLQFRFHERKN-QWRGUYRKSA-N 2 1 263.407 -0.206 20 0 CBADMP CC(C)N1CCN(S(=O)(=O)C[C@H]2CNCCO2)CC1 ZINC000382386894 353783954 /nfs/dbraw/zinc/78/39/54/353783954.db2.gz SSXWZUNYAZZHMM-GFCCVEGCSA-N 2 1 291.417 -0.669 20 0 CBADMP C[C@H]([N@@H+](C)CC(=O)N1CCN(C)CC1)C(C)(C)O ZINC000383000471 353785099 /nfs/dbraw/zinc/78/50/99/353785099.db2.gz ZJUBOTVZUPJCJJ-NSHDSACASA-N 2 1 257.378 -0.148 20 0 CBADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400165384 353800022 /nfs/dbraw/zinc/80/00/22/353800022.db2.gz IWHZRWFOSPKDOV-IJLUTSLNSA-N 2 1 275.418 -0.050 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400165384 353800024 /nfs/dbraw/zinc/80/00/24/353800024.db2.gz IWHZRWFOSPKDOV-IJLUTSLNSA-N 2 1 275.418 -0.050 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404360825 353806704 /nfs/dbraw/zinc/80/67/04/353806704.db2.gz NVFFVCZVLBLRDV-UWVGGRQHSA-N 2 1 256.350 -0.109 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404360825 353806706 /nfs/dbraw/zinc/80/67/06/353806706.db2.gz NVFFVCZVLBLRDV-UWVGGRQHSA-N 2 1 256.350 -0.109 20 0 CBADMP CNC(=O)N[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000407982554 353817118 /nfs/dbraw/zinc/81/71/18/353817118.db2.gz HWFWONIFQAETBH-GFCCVEGCSA-N 2 1 297.403 -0.846 20 0 CBADMP CNC(=O)N[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000407982554 353817121 /nfs/dbraw/zinc/81/71/21/353817121.db2.gz HWFWONIFQAETBH-GFCCVEGCSA-N 2 1 297.403 -0.846 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000385399502 353787017 /nfs/dbraw/zinc/78/70/17/353787017.db2.gz LMOQSXZZIRISJU-CABZTGNLSA-N 2 1 254.334 -0.368 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000408164510 353861990 /nfs/dbraw/zinc/86/19/90/353861990.db2.gz MGABEYYHZSOUCK-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000408164510 353861993 /nfs/dbraw/zinc/86/19/93/353861993.db2.gz MGABEYYHZSOUCK-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000412848208 353949280 /nfs/dbraw/zinc/94/92/80/353949280.db2.gz SDZCLPRYAFUDST-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000412848208 353949284 /nfs/dbraw/zinc/94/92/84/353949284.db2.gz SDZCLPRYAFUDST-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000412848208 353949286 /nfs/dbraw/zinc/94/92/86/353949286.db2.gz SDZCLPRYAFUDST-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000412848208 353949289 /nfs/dbraw/zinc/94/92/89/353949289.db2.gz SDZCLPRYAFUDST-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000410475288 353929206 /nfs/dbraw/zinc/92/92/06/353929206.db2.gz MMQMMDMYNIAHFE-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000410698330 353935886 /nfs/dbraw/zinc/93/58/86/353935886.db2.gz NISKVFRNZALIMB-CYBMUJFWSA-N 2 1 298.431 -0.195 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000410698330 353935889 /nfs/dbraw/zinc/93/58/89/353935889.db2.gz NISKVFRNZALIMB-CYBMUJFWSA-N 2 1 298.431 -0.195 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH+](C)C)CC2)C1 ZINC000416300451 353967503 /nfs/dbraw/zinc/96/75/03/353967503.db2.gz IZAHUXRDPQHAFH-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH+](C)C)CC2)C1 ZINC000416300451 353967506 /nfs/dbraw/zinc/96/75/06/353967506.db2.gz IZAHUXRDPQHAFH-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000418407482 353996853 /nfs/dbraw/zinc/99/68/53/353996853.db2.gz FQAIXFDOARVYTE-BZPMIXESSA-N 2 1 284.404 -0.130 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)NCCC[NH+]1CCOCC1 ZINC000416789544 353973164 /nfs/dbraw/zinc/97/31/64/353973164.db2.gz KJCYIFLCBKROHP-GFCCVEGCSA-N 2 1 272.393 -0.137 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH3+])C1 ZINC000416866925 353973705 /nfs/dbraw/zinc/97/37/05/353973705.db2.gz KTFXQZCIOWGGPX-NSHDSACASA-N 2 1 258.366 -0.399 20 0 CBADMP CC(C)[C@@H](CNC(=O)NCCC[NH3+])[NH+]1CCOCC1 ZINC000416934926 353973713 /nfs/dbraw/zinc/97/37/13/353973713.db2.gz FJFKRXYOSGHEOF-GFCCVEGCSA-N 2 1 272.393 -0.009 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417091662 353976723 /nfs/dbraw/zinc/97/67/23/353976723.db2.gz KGLQCKHNVFLIIY-GDNZZTSVSA-N 2 1 270.377 -0.528 20 0 CBADMP COCC[NH2+]CCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000417290048 353976861 /nfs/dbraw/zinc/97/68/61/353976861.db2.gz WKILPQSLVMZVLF-NSHDSACASA-N 2 1 258.366 -0.384 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCCN1CC[NH2+]CC1 ZINC000417447263 353977347 /nfs/dbraw/zinc/97/73/47/353977347.db2.gz OVPPTEWQAVAFLF-ZDUSSCGKSA-N 2 1 285.436 -0.079 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417446643 353977749 /nfs/dbraw/zinc/97/77/49/353977749.db2.gz MNTAHTGULPGTFZ-STQMWFEESA-N 2 1 285.436 -0.081 20 0 CBADMP CC[N@@H+](CCNC(=O)NC[C@H]1C[NH2+]CCN1C)C(C)C ZINC000417464298 353977905 /nfs/dbraw/zinc/97/79/05/353977905.db2.gz QENPUDMOFPKKPN-CYBMUJFWSA-N 2 1 285.436 -0.081 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N(C)C1CC([NH3+])C1 ZINC000417440195 353977938 /nfs/dbraw/zinc/97/79/38/353977938.db2.gz NPFPZDWRQZZYGM-UHFFFAOYSA-N 2 1 258.366 -0.304 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000417445003 353978036 /nfs/dbraw/zinc/97/80/36/353978036.db2.gz FIHMKGXMMKEGQK-LBPRGKRZSA-N 2 1 272.393 -0.137 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000418407484 353997226 /nfs/dbraw/zinc/99/72/26/353997226.db2.gz FQAIXFDOARVYTE-DYEKYZERSA-N 2 1 284.404 -0.130 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)C[NH3+] ZINC000417569169 353979613 /nfs/dbraw/zinc/97/96/13/353979613.db2.gz QBONQDLTTWQKHM-VXGBXAGGSA-N 2 1 272.393 -0.009 20 0 CBADMP C[NH2+]CCNC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000417564946 353979931 /nfs/dbraw/zinc/97/99/31/353979931.db2.gz JZDDTPFQWVOOGO-LLVKDONJSA-N 2 1 258.366 -0.384 20 0 CBADMP COCC[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000417674890 353980568 /nfs/dbraw/zinc/98/05/68/353980568.db2.gz BAQTVZHXGSHOJA-LLVKDONJSA-N 2 1 270.377 -0.242 20 0 CBADMP C[C@@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)C[NH+]1CCOCC1 ZINC000417707649 353980845 /nfs/dbraw/zinc/98/08/45/353980845.db2.gz AZPCITQYISVPRY-WCQYABFASA-N 2 1 284.404 -0.009 20 0 CBADMP O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000417682809 353980895 /nfs/dbraw/zinc/98/08/95/353980895.db2.gz LSQQNWRFVGPLGN-CYBMUJFWSA-N 2 1 295.431 -0.182 20 0 CBADMP C[C@H](CNC(=O)NC[C@@H](C)C[NH3+])C[NH+]1CCOCC1 ZINC000417706812 353981359 /nfs/dbraw/zinc/98/13/59/353981359.db2.gz AIHHNXLMMGXNKY-NWDGAFQWSA-N 2 1 272.393 -0.151 20 0 CBADMP C[C@H](CNC(=O)NCC(C)(C)[NH3+])C[NH+]1CCOCC1 ZINC000417712444 353981824 /nfs/dbraw/zinc/98/18/24/353981824.db2.gz FWKVEUCJKGRYPP-LLVKDONJSA-N 2 1 272.393 -0.009 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000417708047 353982080 /nfs/dbraw/zinc/98/20/80/353982080.db2.gz OABWALLSQQSSGL-VXGBXAGGSA-N 2 1 272.393 -0.138 20 0 CBADMP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000418424172 353997320 /nfs/dbraw/zinc/99/73/20/353997320.db2.gz GMVDICQPUOXXAU-WCQYABFASA-N 2 1 272.393 -0.274 20 0 CBADMP C[C@@H](CNC(=O)N[C@H](C[NH3+])C1CC1)C[NH+]1CCOCC1 ZINC000417735284 353982248 /nfs/dbraw/zinc/98/22/48/353982248.db2.gz VQRYVACRMQKADA-WCQYABFASA-N 2 1 284.404 -0.009 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)NCC[C@H](C)[NH3+] ZINC000417760382 353982922 /nfs/dbraw/zinc/98/29/22/353982922.db2.gz XSOHHXHEYHEWIU-NSHDSACASA-N 2 1 260.382 -0.009 20 0 CBADMP COCCC[N@H+](C)CCNC(=O)NCC(F)(F)C[NH3+] ZINC000417756507 353983182 /nfs/dbraw/zinc/98/31/82/353983182.db2.gz SJXWMSSSUZIZGK-UHFFFAOYSA-N 2 1 282.335 -0.152 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)NCC(F)(F)C[NH3+] ZINC000417756507 353983185 /nfs/dbraw/zinc/98/31/85/353983185.db2.gz SJXWMSSSUZIZGK-UHFFFAOYSA-N 2 1 282.335 -0.152 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NCCN2CC[NH2+]CC2)CCC[N@H+]1C ZINC000418003877 353986417 /nfs/dbraw/zinc/98/64/17/353986417.db2.gz NLZLGGOJOBLHDO-OLZOCXBDSA-N 2 1 283.420 -0.327 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)CCC[N@H+]1C ZINC000418008754 353986719 /nfs/dbraw/zinc/98/67/19/353986719.db2.gz SROOCKPWBCQLMI-AGIUHOORSA-N 2 1 283.420 -0.328 20 0 CBADMP C[C@H]1[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCC[N@H+]1C ZINC000418011597 353986772 /nfs/dbraw/zinc/98/67/72/353986772.db2.gz XBRSGUVTBIJWPY-USZNOCQGSA-N 2 1 270.377 -0.557 20 0 CBADMP C[NH+](C)CCOCCNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000418075119 353987345 /nfs/dbraw/zinc/98/73/45/353987345.db2.gz YVDXDTUFCUPKJL-ZDUSSCGKSA-N 2 1 290.383 -0.092 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCCC[NH3+])[C@@H](C)C1 ZINC000418319370 353992898 /nfs/dbraw/zinc/99/28/98/353992898.db2.gz ATHOGKGAKBIABT-NSHDSACASA-N 2 1 286.376 -0.386 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)NCCC[NH3+])[C@@H](C)C1 ZINC000418319370 353992900 /nfs/dbraw/zinc/99/29/00/353992900.db2.gz ATHOGKGAKBIABT-NSHDSACASA-N 2 1 286.376 -0.386 20 0 CBADMP COCC[NH+]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000418320324 353993757 /nfs/dbraw/zinc/99/37/57/353993757.db2.gz QFOYLIZDTUUVAV-ZDUSSCGKSA-N 2 1 284.404 -0.040 20 0 CBADMP CC[NH2+]CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418321554 353994189 /nfs/dbraw/zinc/99/41/89/353994189.db2.gz ZMTGUDGTPQNFGD-LBPRGKRZSA-N 2 1 297.403 -0.798 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000418362974 353994686 /nfs/dbraw/zinc/99/46/86/353994686.db2.gz BOEKQIJLNJJNCP-OLZOCXBDSA-N 2 1 286.420 -0.012 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000418361131 353994860 /nfs/dbraw/zinc/99/48/60/353994860.db2.gz GSYFTMBIIBOQQC-CHWSQXEVSA-N 2 1 284.404 -0.116 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418376495 353995624 /nfs/dbraw/zinc/99/56/24/353995624.db2.gz UOEXMBFOLVZMIE-LLVKDONJSA-N 2 1 258.366 -0.648 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418376496 353995874 /nfs/dbraw/zinc/99/58/74/353995874.db2.gz UOEXMBFOLVZMIE-NSHDSACASA-N 2 1 258.366 -0.648 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418385126 353995970 /nfs/dbraw/zinc/99/59/70/353995970.db2.gz PQHAGJVTONLOGK-NSHDSACASA-N 2 1 258.366 -0.648 20 0 CBADMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)N[C@H]1CCC[NH2+]C1 ZINC000418382608 353996081 /nfs/dbraw/zinc/99/60/81/353996081.db2.gz MLIYCJKAXLLPFV-QWHCGFSZSA-N 2 1 284.404 -0.116 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CC[N@H+](C)C1 ZINC000413924029 353960918 /nfs/dbraw/zinc/96/09/18/353960918.db2.gz RWCSUOABHOWTOX-RYUDHWBXSA-N 2 1 283.372 -0.356 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+](C)C1 ZINC000413924029 353960922 /nfs/dbraw/zinc/96/09/22/353960922.db2.gz RWCSUOABHOWTOX-RYUDHWBXSA-N 2 1 283.372 -0.356 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+](C)C1 ZINC000413924029 353960925 /nfs/dbraw/zinc/96/09/25/353960925.db2.gz RWCSUOABHOWTOX-RYUDHWBXSA-N 2 1 283.372 -0.356 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC[NH+](C)C1 ZINC000413924029 353960929 /nfs/dbraw/zinc/96/09/29/353960929.db2.gz RWCSUOABHOWTOX-RYUDHWBXSA-N 2 1 283.372 -0.356 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419232041 354040306 /nfs/dbraw/zinc/04/03/06/354040306.db2.gz UBWILIKHXLUIIA-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418427770 353998307 /nfs/dbraw/zinc/99/83/07/353998307.db2.gz OUDFCIFAWHKIRW-LBPRGKRZSA-N 2 1 274.409 -0.027 20 0 CBADMP CCC[NH2+]CCNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000418489033 353999389 /nfs/dbraw/zinc/99/93/89/353999389.db2.gz MSUBROWIDAWFTL-LBPRGKRZSA-N 2 1 272.393 -0.306 20 0 CBADMP CCC[NH2+]CCNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000418489033 353999392 /nfs/dbraw/zinc/99/93/92/353999392.db2.gz MSUBROWIDAWFTL-LBPRGKRZSA-N 2 1 272.393 -0.306 20 0 CBADMP COCC[NH+]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000418504128 354000014 /nfs/dbraw/zinc/00/00/14/354000014.db2.gz ZXYWAWHYGSDYKW-LBPRGKRZSA-N 2 1 270.377 -0.303 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418511487 354000469 /nfs/dbraw/zinc/00/04/69/354000469.db2.gz JPLXHOVIFXHSIU-LURJTMIESA-N 2 1 272.246 -0.123 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418549445 354002369 /nfs/dbraw/zinc/00/23/69/354002369.db2.gz KSNKRIMIRMTVNB-VXGBXAGGSA-N 2 1 272.393 -0.402 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000418611139 354004641 /nfs/dbraw/zinc/00/46/41/354004641.db2.gz GVRUDCFZSIXMPO-QWRGUYRKSA-N 2 1 272.393 -0.180 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418662715 354004892 /nfs/dbraw/zinc/00/48/92/354004892.db2.gz UWDHEORYOCBPBV-UONOGXRCSA-N 2 1 298.431 -0.012 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000418737819 354006264 /nfs/dbraw/zinc/00/62/64/354006264.db2.gz WFSCOYVXLOETAP-SRVKXCTJSA-N 2 1 272.393 -0.180 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000418737821 354006413 /nfs/dbraw/zinc/00/64/13/354006413.db2.gz WFSCOYVXLOETAP-UTUOFQBUSA-N 2 1 272.393 -0.180 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000418763693 354007836 /nfs/dbraw/zinc/00/78/36/354007836.db2.gz NDDOONCREGWHLB-YPMHNXCESA-N 2 1 287.383 -0.767 20 0 CBADMP 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 354016921 /nfs/dbraw/zinc/01/69/21/354016921.db2.gz CISKPIMCISBIKW-FDYHWXHSSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH2+]1 ZINC000418985082 354019439 /nfs/dbraw/zinc/01/94/39/354019439.db2.gz DYZHPQSZYMMQGL-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000418989539 354020648 /nfs/dbraw/zinc/02/06/48/354020648.db2.gz UFHFSIZYBKELTG-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419029775 354024912 /nfs/dbraw/zinc/02/49/12/354024912.db2.gz SCFZYEXOAMEPKC-SDDRHHMPSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000419029773 354025190 /nfs/dbraw/zinc/02/51/90/354025190.db2.gz SCFZYEXOAMEPKC-QJPTWQEYSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419032915 354025331 /nfs/dbraw/zinc/02/53/31/354025331.db2.gz XPXVZSCFEAXUMU-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419031868 354025473 /nfs/dbraw/zinc/02/54/73/354025473.db2.gz UYYDTBMKUDVRJV-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000419034445 354026675 /nfs/dbraw/zinc/02/66/75/354026675.db2.gz ZNRKALYWULQLBQ-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)C1 ZINC000419033412 354026874 /nfs/dbraw/zinc/02/68/74/354026874.db2.gz XHWJJRNPCAIVGK-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419082933 354027167 /nfs/dbraw/zinc/02/71/67/354027167.db2.gz BGZIPSFYBKVXES-UHFFFAOYSA-N 2 1 270.377 -0.687 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC[NH3+] ZINC000419080882 354027717 /nfs/dbraw/zinc/02/77/17/354027717.db2.gz QKRHNOHHGITRCG-NSHDSACASA-N 2 1 270.377 -0.558 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000419112528 354028338 /nfs/dbraw/zinc/02/83/38/354028338.db2.gz VEWUWJAEPXUUFE-LLVKDONJSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419097547 354028606 /nfs/dbraw/zinc/02/86/06/354028606.db2.gz GADJAJFIHSGRJL-JTQLQIEISA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419100139 354028768 /nfs/dbraw/zinc/02/87/68/354028768.db2.gz IVMCMROMUQPWRQ-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419279003 354043206 /nfs/dbraw/zinc/04/32/06/354043206.db2.gz BVCRSRGAOSRVSP-LLVKDONJSA-N 2 1 272.393 -0.455 20 0 CBADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419132218 354030310 /nfs/dbraw/zinc/03/03/10/354030310.db2.gz DPEMLKLWWHDRMP-NWDGAFQWSA-N 2 1 296.415 -0.027 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000419221697 354037754 /nfs/dbraw/zinc/03/77/54/354037754.db2.gz KCDLEYYJRFNGJB-CYBMUJFWSA-N 2 1 296.415 -0.146 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000419219429 354038175 /nfs/dbraw/zinc/03/81/75/354038175.db2.gz HLHGQNKYKRSVRR-UHFFFAOYSA-N 2 1 268.361 -0.910 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000419561419 354061765 /nfs/dbraw/zinc/06/17/65/354061765.db2.gz SJSUVALIUJGZRR-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCC[N@H+]1C ZINC000419563765 354062176 /nfs/dbraw/zinc/06/21/76/354062176.db2.gz WWQMKZNZWLFUNB-JLLWLGSASA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[N@@H+](C)C1CC1 ZINC000419575829 354062898 /nfs/dbraw/zinc/06/28/98/354062898.db2.gz BIBDOZGCVAPNHK-BXKDBHETSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCC[N@H+]1C ZINC000419566269 354063027 /nfs/dbraw/zinc/06/30/27/354063027.db2.gz ZSQVZLCUBRQFJX-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000419585684 354063345 /nfs/dbraw/zinc/06/33/45/354063345.db2.gz LXTSSSNJRSPYDJ-WDEREUQCSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419577876 354063416 /nfs/dbraw/zinc/06/34/16/354063416.db2.gz DFUWSJGYTGNZLP-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000419581582 354063810 /nfs/dbraw/zinc/06/38/10/354063810.db2.gz INYWJVSCFRZQSZ-QWRGUYRKSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419582169 354064043 /nfs/dbraw/zinc/06/40/43/354064043.db2.gz JERYZAVKMHNHEY-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419585814 354064223 /nfs/dbraw/zinc/06/42/23/354064223.db2.gz MKVDUSPFWOVKKS-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)[N@@H+](C)C1CC1 ZINC000419596037 354064953 /nfs/dbraw/zinc/06/49/53/354064953.db2.gz XLCRUBNNTUPTBI-LLVKDONJSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419593160 354065302 /nfs/dbraw/zinc/06/53/02/354065302.db2.gz SRMDFWRFCYZWPY-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000419593578 354065393 /nfs/dbraw/zinc/06/53/93/354065393.db2.gz SWMMJACYZAIGLS-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000419591372 354065410 /nfs/dbraw/zinc/06/54/10/354065410.db2.gz QXYINZOUJUSNQX-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419593158 354065592 /nfs/dbraw/zinc/06/55/92/354065592.db2.gz SRMDFWRFCYZWPY-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@@H+](C)C1CC1 ZINC000419590350 354065642 /nfs/dbraw/zinc/06/56/42/354065642.db2.gz QAHAPYPCGMOVJX-WZRBSPASSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC[NH2+]1 ZINC000419691142 354070029 /nfs/dbraw/zinc/07/00/29/354070029.db2.gz DKJRHQVOUYPRQF-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000419691658 354070198 /nfs/dbraw/zinc/07/01/98/354070198.db2.gz FKGGFZFMUSWXGO-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419692763 354070205 /nfs/dbraw/zinc/07/02/05/354070205.db2.gz HFHZYSUGKVLRCS-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419701259 354071387 /nfs/dbraw/zinc/07/13/87/354071387.db2.gz ZABLFLLYBJYWFJ-NSHDSACASA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419719341 354072227 /nfs/dbraw/zinc/07/22/27/354072227.db2.gz CJNNCAFWTPWJOZ-JQWIXIFHSA-N 2 1 282.388 -0.417 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419729181 354073207 /nfs/dbraw/zinc/07/32/07/354073207.db2.gz HHZOFFNLNVIKOT-LBPRGKRZSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419741278 354074634 /nfs/dbraw/zinc/07/46/34/354074634.db2.gz YWKMUGKBIBUYCZ-CYBMUJFWSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419759140 354074737 /nfs/dbraw/zinc/07/47/37/354074737.db2.gz GETHAGIOSMZHOZ-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419766544 354075570 /nfs/dbraw/zinc/07/55/70/354075570.db2.gz RMTGJLSAXUNMAS-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419768229 354076311 /nfs/dbraw/zinc/07/63/11/354076311.db2.gz UBUCVAWAZOBXTI-NSHDSACASA-N 2 1 272.393 -0.312 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419767164 354076462 /nfs/dbraw/zinc/07/64/62/354076462.db2.gz SFKUNXFOISHMFM-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000419774930 354077161 /nfs/dbraw/zinc/07/71/61/354077161.db2.gz KFJUJMKZZCOGEN-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000419779049 354077265 /nfs/dbraw/zinc/07/72/65/354077265.db2.gz PDOXBVIQPALZCG-LLVKDONJSA-N 2 1 284.404 -0.441 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000419779051 354077650 /nfs/dbraw/zinc/07/76/50/354077650.db2.gz PDOXBVIQPALZCG-NSHDSACASA-N 2 1 284.404 -0.441 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419780242 354077690 /nfs/dbraw/zinc/07/76/90/354077690.db2.gz QNOYFHMEDJRNOE-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419813304 354079565 /nfs/dbraw/zinc/07/95/65/354079565.db2.gz GWQJHQSBYPHEIG-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419821763 354080549 /nfs/dbraw/zinc/08/05/49/354080549.db2.gz LACNOTOGEROKMO-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCCC[NH3+] ZINC000419831120 354081249 /nfs/dbraw/zinc/08/12/49/354081249.db2.gz LITWJYBNGDMBOC-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH3+])C[C@@H]1C ZINC000419833611 354082060 /nfs/dbraw/zinc/08/20/60/354082060.db2.gz QDRLXSQVUQXJMP-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH3+])C[C@@H]1C ZINC000419833611 354082065 /nfs/dbraw/zinc/08/20/65/354082065.db2.gz QDRLXSQVUQXJMP-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000419840897 354082932 /nfs/dbraw/zinc/08/29/32/354082932.db2.gz DXTGGESYNSMMME-UHFFFAOYSA-N 2 1 282.388 -0.591 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCCC[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000419841790 354083341 /nfs/dbraw/zinc/08/33/41/354083341.db2.gz UTZWGXZYMFPOHA-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419847372 354084170 /nfs/dbraw/zinc/08/41/70/354084170.db2.gz SZRQLIDZZRKOGY-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419857064 354085372 /nfs/dbraw/zinc/08/53/72/354085372.db2.gz UEFLAQQLSGVRDT-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419290011 354044357 /nfs/dbraw/zinc/04/43/57/354044357.db2.gz UUIHIEINEQKSJH-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419287772 354044512 /nfs/dbraw/zinc/04/45/12/354044512.db2.gz QMOUAAWOQUODME-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419286915 354044961 /nfs/dbraw/zinc/04/49/61/354044961.db2.gz PAAQGPBTHOMGEE-NSHDSACASA-N 2 1 272.393 -0.312 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000419315583 354045604 /nfs/dbraw/zinc/04/56/04/354045604.db2.gz KGVCIGNCFNYQPU-DMDPSCGWSA-N 2 1 296.415 -0.173 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000419319119 354045739 /nfs/dbraw/zinc/04/57/39/354045739.db2.gz OKGBFKJCZLYAQB-WOPDTQHZSA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C[N@H+]1C1CC1 ZINC000419322081 354045926 /nfs/dbraw/zinc/04/59/26/354045926.db2.gz RULDIKWFSRJBCF-XWIASGKRSA-N 2 1 294.399 -0.419 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C[N@H+]1C1CC1 ZINC000419317468 354046109 /nfs/dbraw/zinc/04/61/09/354046109.db2.gz MUJGTFXBXAOBCB-WOPDTQHZSA-N 2 1 294.399 -0.452 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000419322403 354046305 /nfs/dbraw/zinc/04/63/05/354046305.db2.gz SIBHVNDBHQGFJC-GHMZBOCLSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000419338382 354047114 /nfs/dbraw/zinc/04/71/14/354047114.db2.gz SJKQQXVSBRGNNX-CMPLNLGQSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000419403015 354050888 /nfs/dbraw/zinc/05/08/88/354050888.db2.gz CZCLNDPKKYNWTD-WCQYABFASA-N 2 1 296.415 -0.312 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419415009 354052435 /nfs/dbraw/zinc/05/24/35/354052435.db2.gz FPJUNQHRHSZHLS-BETUJISGSA-N 2 1 298.431 -0.194 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000419410006 354052464 /nfs/dbraw/zinc/05/24/64/354052464.db2.gz NWTALLJIIPRYNG-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000419408816 354052718 /nfs/dbraw/zinc/05/27/18/354052718.db2.gz LZULQFCBEXZVIQ-GXSJLCMTSA-N 2 1 298.412 -0.070 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)C1CC1 ZINC000419502246 354056847 /nfs/dbraw/zinc/05/68/47/354056847.db2.gz CLYLYFYVGBLMKZ-WCQYABFASA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC(C[NH3+])CC1)C1CC1 ZINC000419520976 354057318 /nfs/dbraw/zinc/05/73/18/354057318.db2.gz JGPUWTCRUVVHKP-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419521226 354057494 /nfs/dbraw/zinc/05/74/94/354057494.db2.gz JOIFGMDZZXTFFX-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCC[NH2+]C ZINC000419521565 354057577 /nfs/dbraw/zinc/05/75/77/354057577.db2.gz KGGXCIAJOXRXDQ-LBPRGKRZSA-N 2 1 286.420 -0.099 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419521227 354057619 /nfs/dbraw/zinc/05/76/19/354057619.db2.gz JOIFGMDZZXTFFX-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000419522647 354057677 /nfs/dbraw/zinc/05/76/77/354057677.db2.gz MYQUMERBLSMCBD-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000419524538 354058089 /nfs/dbraw/zinc/05/80/89/354058089.db2.gz QAOYJGHSBMGGLQ-LBPRGKRZSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419524517 354058455 /nfs/dbraw/zinc/05/84/55/354058455.db2.gz PXLGORROQHOYSO-NEPJUHHUSA-N 2 1 286.420 -0.195 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419528032 354058656 /nfs/dbraw/zinc/05/86/56/354058656.db2.gz VUDDCPRTFHDCJV-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419525650 354058768 /nfs/dbraw/zinc/05/87/68/354058768.db2.gz RXFLMGFSNBYGOS-ZYHUDNBSSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419530768 354059292 /nfs/dbraw/zinc/05/92/92/354059292.db2.gz ZKLOVVVWCYSKGP-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419540112 354059787 /nfs/dbraw/zinc/05/97/87/354059787.db2.gz BXOJFDOXNDVCDO-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CCC[N@H+]1C ZINC000419544332 354060067 /nfs/dbraw/zinc/06/00/67/354060067.db2.gz HLCGVNRNEZOEBJ-QJPTWQEYSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000419560493 354060957 /nfs/dbraw/zinc/06/09/57/354060957.db2.gz RAPAMRCJJAYMMO-VOAKCMCISA-N 2 1 296.415 -0.301 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000419887818 354089749 /nfs/dbraw/zinc/08/97/49/354089749.db2.gz JGRCABHAZQPNCZ-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419889809 354089971 /nfs/dbraw/zinc/08/99/71/354089971.db2.gz SDMBBSMPNJRBFJ-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000419887816 354089994 /nfs/dbraw/zinc/08/99/94/354089994.db2.gz JGRCABHAZQPNCZ-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000419904617 354091689 /nfs/dbraw/zinc/09/16/89/354091689.db2.gz RWGAUYKWJZZKBE-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000419904617 354091692 /nfs/dbraw/zinc/09/16/92/354091692.db2.gz RWGAUYKWJZZKBE-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000419897407 354092030 /nfs/dbraw/zinc/09/20/30/354092030.db2.gz VVGYMRJWIQOMCZ-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000419897407 354092035 /nfs/dbraw/zinc/09/20/35/354092035.db2.gz VVGYMRJWIQOMCZ-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000419914120 354093604 /nfs/dbraw/zinc/09/36/04/354093604.db2.gz RWGAUYKWJZZKBE-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000419914120 354093607 /nfs/dbraw/zinc/09/36/07/354093607.db2.gz RWGAUYKWJZZKBE-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000419914121 354093726 /nfs/dbraw/zinc/09/37/26/354093726.db2.gz RWGAUYKWJZZKBE-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000419914121 354093727 /nfs/dbraw/zinc/09/37/27/354093727.db2.gz RWGAUYKWJZZKBE-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000419937600 354094366 /nfs/dbraw/zinc/09/43/66/354094366.db2.gz WACNJPHKMJDJDU-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419953553 354096334 /nfs/dbraw/zinc/09/63/34/354096334.db2.gz PVXQWFIHTXCIAN-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000419958112 354097204 /nfs/dbraw/zinc/09/72/04/354097204.db2.gz UQKKZLAYFKEIAR-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000419958112 354097205 /nfs/dbraw/zinc/09/72/05/354097205.db2.gz UQKKZLAYFKEIAR-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000419960267 354097245 /nfs/dbraw/zinc/09/72/45/354097245.db2.gz WDTYQMBXCCCJQE-OLZOCXBDSA-N 2 1 298.431 -0.243 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000419960267 354097246 /nfs/dbraw/zinc/09/72/46/354097246.db2.gz WDTYQMBXCCCJQE-OLZOCXBDSA-N 2 1 298.431 -0.243 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000419973313 354098048 /nfs/dbraw/zinc/09/80/48/354098048.db2.gz HPTKPIDDOQPNLN-GFCCVEGCSA-N 2 1 296.415 -0.488 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419964250 354098140 /nfs/dbraw/zinc/09/81/40/354098140.db2.gz XAUFGLMSLYCWCH-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000419979686 354098929 /nfs/dbraw/zinc/09/89/29/354098929.db2.gz PWBOKMAISYKPTL-OLZOCXBDSA-N 2 1 298.431 -0.243 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000419979686 354098932 /nfs/dbraw/zinc/09/89/32/354098932.db2.gz PWBOKMAISYKPTL-OLZOCXBDSA-N 2 1 298.431 -0.243 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C(C)C ZINC000419973943 354099049 /nfs/dbraw/zinc/09/90/49/354099049.db2.gz JSMFEBDFAVAHHJ-GFCCVEGCSA-N 2 1 286.420 -0.068 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000420015840 354102045 /nfs/dbraw/zinc/10/20/45/354102045.db2.gz MHQHGVJDOMAUOG-STQMWFEESA-N 2 1 298.431 -0.116 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000420015840 354102047 /nfs/dbraw/zinc/10/20/47/354102047.db2.gz MHQHGVJDOMAUOG-STQMWFEESA-N 2 1 298.431 -0.116 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)CC[NH3+])C[C@H]1C ZINC000420011484 354102124 /nfs/dbraw/zinc/10/21/24/354102124.db2.gz YXAFSFAJXDOMSM-TUAOUCFPSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)CC[NH3+])C[C@H]1C ZINC000420011484 354102126 /nfs/dbraw/zinc/10/21/26/354102126.db2.gz YXAFSFAJXDOMSM-TUAOUCFPSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000420012796 354102155 /nfs/dbraw/zinc/10/21/55/354102155.db2.gz JUEBIFWOHHQKDQ-UTUOFQBUSA-N 2 1 284.404 -0.171 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420068065 354106949 /nfs/dbraw/zinc/10/69/49/354106949.db2.gz UCESIMWXNBZCEF-CYBMUJFWSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420068066 354107248 /nfs/dbraw/zinc/10/72/48/354107248.db2.gz UCESIMWXNBZCEF-ZDUSSCGKSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420082977 354108480 /nfs/dbraw/zinc/10/84/80/354108480.db2.gz VSSRAPWHDDSYPG-UHFFFAOYSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000420137253 354110632 /nfs/dbraw/zinc/11/06/32/354110632.db2.gz DLDVRLDTZNKTGB-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420141093 354111941 /nfs/dbraw/zinc/11/19/41/354111941.db2.gz JETFXMRYXBKURQ-JHJVBQTASA-N 2 1 296.415 -0.299 20 0 CBADMP CCOC(=O)c1c[nH+]ccc1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000420232485 354120006 /nfs/dbraw/zinc/12/00/06/354120006.db2.gz AENMEYNBRVFZOD-CABZTGNLSA-N 2 1 265.313 -0.328 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CCC[C@H]([NH3+])C2)CC1 ZINC000420279975 354120861 /nfs/dbraw/zinc/12/08/61/354120861.db2.gz XZRXYNYUUSJTSM-LBPRGKRZSA-N 2 1 254.378 -0.426 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420302338 354121670 /nfs/dbraw/zinc/12/16/70/354121670.db2.gz FSVUVHJYJMYAJM-SRVKXCTJSA-N 2 1 283.372 -0.275 20 0 CBADMP CCOC(=O)CC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420294520 354121801 /nfs/dbraw/zinc/12/18/01/354121801.db2.gz OREKPVXSWXXIGU-LLVKDONJSA-N 2 1 271.361 -0.274 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321577 354122647 /nfs/dbraw/zinc/12/26/47/354122647.db2.gz CXCCWKFAGZBLCU-STQMWFEESA-N 2 1 297.399 -0.013 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420313558 354123041 /nfs/dbraw/zinc/12/30/41/354123041.db2.gz UMKRLFHTOQTVSV-GHMZBOCLSA-N 2 1 263.407 -0.015 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CCC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000420343334 354124263 /nfs/dbraw/zinc/12/42/63/354124263.db2.gz QPUFWDCOIPXPOU-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000420345927 354124454 /nfs/dbraw/zinc/12/44/54/354124454.db2.gz WVXDKIMSGLYJTC-STQMWFEESA-N 2 1 294.399 -0.734 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N(C)CC[NH2+]C)CC1 ZINC000420335347 354124554 /nfs/dbraw/zinc/12/45/54/354124554.db2.gz IUATXOBRAVXHOK-GFCCVEGCSA-N 2 1 256.394 -0.310 20 0 CBADMP CNS(=O)(=O)CCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420354668 354125305 /nfs/dbraw/zinc/12/53/05/354125305.db2.gz BGHVMQIORFVNLQ-HBNTYKKESA-N 2 1 263.407 -0.098 20 0 CBADMP COCCN1CC[N@H+](CC[C@H]2CC[NH2+]C2)CC1=O ZINC000420362070 354125429 /nfs/dbraw/zinc/12/54/29/354125429.db2.gz ADWLFGIIAXBNJV-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP COCCN1CC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1=O ZINC000420362070 354125431 /nfs/dbraw/zinc/12/54/31/354125431.db2.gz ADWLFGIIAXBNJV-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C1(C(N)=O)CCCC1 ZINC000420352452 354125870 /nfs/dbraw/zinc/12/58/70/354125870.db2.gz APJZWLDFKWYCPG-UHFFFAOYSA-N 2 1 254.378 -0.379 20 0 CBADMP C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000420401255 354126614 /nfs/dbraw/zinc/12/66/14/354126614.db2.gz IYZZJEXGNPKTHO-QWHCGFSZSA-N 3 1 268.405 -0.275 20 0 CBADMP C[C@H]1CC[N@H+](CCC(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC000420401255 354126618 /nfs/dbraw/zinc/12/66/18/354126618.db2.gz IYZZJEXGNPKTHO-QWHCGFSZSA-N 2 1 268.405 -0.275 20 0 CBADMP C[C@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC000420401255 354126623 /nfs/dbraw/zinc/12/66/23/354126623.db2.gz IYZZJEXGNPKTHO-QWHCGFSZSA-N 2 1 268.405 -0.275 20 0 CBADMP CCN1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC1=O ZINC000420380418 354127212 /nfs/dbraw/zinc/12/72/12/354127212.db2.gz WPLWRBQDKXLEBJ-UHFFFAOYSA-N 2 1 282.388 -0.638 20 0 CBADMP CC(C)C(=O)NCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000420375856 354127240 /nfs/dbraw/zinc/12/72/40/354127240.db2.gz PYHHBJOGIMEJDT-UHFFFAOYSA-N 2 1 256.394 -0.404 20 0 CBADMP C[C@H]1CC[NH2+][C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000423333584 354169387 /nfs/dbraw/zinc/16/93/87/354169387.db2.gz RXRBEJMBTIDBJH-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[NH+]1CCC(C)CC1 ZINC000423335798 354169579 /nfs/dbraw/zinc/16/95/79/354169579.db2.gz SBTSMTLJDBMWGT-NSHDSACASA-N 2 1 271.361 -0.275 20 0 CBADMP CC(C)[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000423343456 354170298 /nfs/dbraw/zinc/17/02/98/354170298.db2.gz ZVDQYWXCOYXLAU-GXTWGEPZSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000423363874 354172711 /nfs/dbraw/zinc/17/27/11/354172711.db2.gz CBGFGJIRJUXNMT-AGIUHOORSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)C[C@H]1C ZINC000423387484 354173413 /nfs/dbraw/zinc/17/34/13/354173413.db2.gz MYLMRMZCPWTCDE-FRRDWIJNSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)C[C@H]1C ZINC000423387484 354173414 /nfs/dbraw/zinc/17/34/14/354173414.db2.gz MYLMRMZCPWTCDE-FRRDWIJNSA-N 2 1 296.415 -0.252 20 0 CBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423376098 354173892 /nfs/dbraw/zinc/17/38/92/354173892.db2.gz ALTSIKRXYHOFPC-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000423392085 354174770 /nfs/dbraw/zinc/17/47/70/354174770.db2.gz XJKQJGDWERMODE-UPJWGTAASA-N 2 1 296.415 -0.409 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000423392085 354174772 /nfs/dbraw/zinc/17/47/72/354174772.db2.gz XJKQJGDWERMODE-UPJWGTAASA-N 2 1 296.415 -0.409 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000423394069 354174978 /nfs/dbraw/zinc/17/49/78/354174978.db2.gz ZLAGWKBZVWXQBH-NEPJUHHUSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000423426193 354175585 /nfs/dbraw/zinc/17/55/85/354175585.db2.gz MZSDLLRNODCYLR-MXWKQRLJSA-N 2 1 269.345 -0.428 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000423426193 354175588 /nfs/dbraw/zinc/17/55/88/354175588.db2.gz MZSDLLRNODCYLR-MXWKQRLJSA-N 2 1 269.345 -0.428 20 0 CBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)C1(C)C[NH2+]C1 ZINC000423445012 354176683 /nfs/dbraw/zinc/17/66/83/354176683.db2.gz YDQWFTNDLNHROK-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C[NH3+] ZINC000422561157 354150594 /nfs/dbraw/zinc/15/05/94/354150594.db2.gz JKLKQOUZNKWRFS-IJLUTSLNSA-N 2 1 294.399 -0.111 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000422716427 354151626 /nfs/dbraw/zinc/15/16/26/354151626.db2.gz UPSZAPHCQRENNY-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000422716427 354151632 /nfs/dbraw/zinc/15/16/32/354151632.db2.gz UPSZAPHCQRENNY-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000422837313 354155550 /nfs/dbraw/zinc/15/55/50/354155550.db2.gz LVXOQTFSTLYJTL-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000422837313 354155552 /nfs/dbraw/zinc/15/55/52/354155552.db2.gz LVXOQTFSTLYJTL-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000422961633 354158453 /nfs/dbraw/zinc/15/84/53/354158453.db2.gz CPJAOUSKMQCGQS-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422972967 354158633 /nfs/dbraw/zinc/15/86/33/354158633.db2.gz NGEVKSJNIYEGLK-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000422974697 354158788 /nfs/dbraw/zinc/15/87/88/354158788.db2.gz RSYLASQDCPUNKG-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C[C@H](C)[NH2+]1 ZINC000423515633 354178266 /nfs/dbraw/zinc/17/82/66/354178266.db2.gz FVWUOOHUPVVNSO-TXEJJXNPSA-N 2 1 296.415 -0.252 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000423586714 354181338 /nfs/dbraw/zinc/18/13/38/354181338.db2.gz DXMRRHRFWHQIBI-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C[C@H](C)[N@H+]1C ZINC000423586491 354181980 /nfs/dbraw/zinc/18/19/80/354181980.db2.gz BLYALQQYQNKHNG-FRRDWIJNSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C[C@H](C)[N@@H+]1C ZINC000423586491 354181984 /nfs/dbraw/zinc/18/19/84/354181984.db2.gz BLYALQQYQNKHNG-FRRDWIJNSA-N 2 1 296.415 -0.123 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423596460 354182865 /nfs/dbraw/zinc/18/28/65/354182865.db2.gz RVDSYFHLZVEENB-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423611612 354184491 /nfs/dbraw/zinc/18/44/91/354184491.db2.gz SFZWOYLCMDGBTB-NSHDSACASA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000423612255 354184768 /nfs/dbraw/zinc/18/47/68/354184768.db2.gz OYVZGDTXHVBTQA-UHFFFAOYSA-N 2 1 282.388 -0.639 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423611611 354185053 /nfs/dbraw/zinc/18/50/53/354185053.db2.gz SFZWOYLCMDGBTB-LLVKDONJSA-N 2 1 282.388 -0.641 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423622028 354185611 /nfs/dbraw/zinc/18/56/11/354185611.db2.gz YNDDSSSLLJDECU-UHFFFAOYSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423652223 354189235 /nfs/dbraw/zinc/18/92/35/354189235.db2.gz NDEPQBBYVUVOTP-NWDGAFQWSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000423653443 354189463 /nfs/dbraw/zinc/18/94/63/354189463.db2.gz YXOKPBFWNWZFJQ-LBPRGKRZSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423714861 354193095 /nfs/dbraw/zinc/19/30/95/354193095.db2.gz YENJRWUHRDXPFM-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000423748335 354196835 /nfs/dbraw/zinc/19/68/35/354196835.db2.gz UHFKHTOXRRENTE-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000423748908 354197587 /nfs/dbraw/zinc/19/75/87/354197587.db2.gz ZWYPXHNEVJHFHI-CHWSQXEVSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)COC1C[NH2+]C1 ZINC000423768302 354199186 /nfs/dbraw/zinc/19/91/86/354199186.db2.gz DCVCAXWDOAQQOW-LBPRGKRZSA-N 2 1 255.362 -0.227 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000423787238 354200832 /nfs/dbraw/zinc/20/08/32/354200832.db2.gz BXXZNBNHXBSGPV-GFCCVEGCSA-N 2 1 287.404 -0.223 20 0 CBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)COC1C[NH2+]C1 ZINC000423794258 354200899 /nfs/dbraw/zinc/20/08/99/354200899.db2.gz JSUINVHMGZWNGM-UHFFFAOYSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)CCOC1C[NH2+]C1 ZINC000423852093 354201962 /nfs/dbraw/zinc/20/19/62/354201962.db2.gz RXJICSYCYMVXFH-UHFFFAOYSA-N 2 1 255.362 -0.083 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)C[NH3+])C[C@H]1C ZINC000423900962 354204330 /nfs/dbraw/zinc/20/43/30/354204330.db2.gz SKJFPDQBAYDEAG-WDEREUQCSA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)C[NH3+])C[C@H]1C ZINC000423900962 354204332 /nfs/dbraw/zinc/20/43/32/354204332.db2.gz SKJFPDQBAYDEAG-WDEREUQCSA-N 2 1 271.361 -0.323 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000424196759 354218151 /nfs/dbraw/zinc/21/81/51/354218151.db2.gz VSGUUCGJKILRPP-UPJWGTAASA-N 2 1 267.373 -0.177 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000424141116 354210823 /nfs/dbraw/zinc/21/08/23/354210823.db2.gz GVHAJDFXMWUEGJ-KKOKHZNYSA-N 2 1 255.362 -0.363 20 0 CBADMP CC[N@@H+](C)CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424157070 354212441 /nfs/dbraw/zinc/21/24/41/354212441.db2.gz PBJQVSQDERVOMM-LLVKDONJSA-N 2 1 280.376 -0.116 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000424181812 354216888 /nfs/dbraw/zinc/21/68/88/354216888.db2.gz YIBLKIQMKBNJSB-NSHDSACASA-N 2 1 259.325 -0.346 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428029051 354245761 /nfs/dbraw/zinc/24/57/61/354245761.db2.gz CPLUUKIDEPKYRM-WDEREUQCSA-N 2 1 261.391 -0.391 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428029051 354245764 /nfs/dbraw/zinc/24/57/64/354245764.db2.gz CPLUUKIDEPKYRM-WDEREUQCSA-N 2 1 261.391 -0.391 20 0 CBADMP CC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000430901676 354250535 /nfs/dbraw/zinc/25/05/35/354250535.db2.gz VYJCMQDOBHGGCF-UWVGGRQHSA-N 2 1 256.350 -0.820 20 0 CBADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430924660 354251316 /nfs/dbraw/zinc/25/13/16/354251316.db2.gz BDPLWPDGPFPWON-IUCAKERBSA-N 2 1 254.334 -0.356 20 0 CBADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430924660 354251319 /nfs/dbraw/zinc/25/13/19/354251319.db2.gz BDPLWPDGPFPWON-IUCAKERBSA-N 2 1 254.334 -0.356 20 0 CBADMP CC[C@H]([NH3+])C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000431012544 354251378 /nfs/dbraw/zinc/25/13/78/354251378.db2.gz FYXDIQOJHGQDOH-RYUDHWBXSA-N 2 1 256.394 -0.277 20 0 CBADMP CN(C(=O)[C@H]1C[C@H](O)C[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000432510038 354252316 /nfs/dbraw/zinc/25/23/16/354252316.db2.gz BALMCPJXMAADGJ-GRYCIOLGSA-N 2 1 253.346 -0.596 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)CN1CC[NH+](C)CC1 ZINC000444264051 354266634 /nfs/dbraw/zinc/26/66/34/354266634.db2.gz BSIZCCMCCBBMGJ-IIAWOOMASA-N 2 1 294.443 -0.014 20 0 CBADMP Cn1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(=O)n(C)c1=O ZINC000442920585 354259051 /nfs/dbraw/zinc/25/90/51/354259051.db2.gz HDFYPPMKKKQMPI-NSHDSACASA-N 2 1 280.372 -0.355 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000424206013 354219093 /nfs/dbraw/zinc/21/90/93/354219093.db2.gz WNEOFPJXWZJZMI-HNCHTBHHSA-N 2 1 255.362 -0.193 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000446360383 354286410 /nfs/dbraw/zinc/28/64/10/354286410.db2.gz ROICQMRQQYKBCG-DLOVCJGASA-N 2 1 253.346 -0.426 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444270421 354267873 /nfs/dbraw/zinc/26/78/73/354267873.db2.gz PUJUPQDUUPXPJM-CHWSQXEVSA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@@H]1CN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@H](C)[N@@H+]1C ZINC000448554648 354315633 /nfs/dbraw/zinc/31/56/33/354315633.db2.gz IJMBFQFRUZJFCJ-FRRDWIJNSA-N 2 1 296.415 -0.300 20 0 CBADMP CCC[NH2+][C@H](C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000449321233 354320048 /nfs/dbraw/zinc/32/00/48/354320048.db2.gz RPBJVSWCLREMDN-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000449574774 354321000 /nfs/dbraw/zinc/32/10/00/354321000.db2.gz YQIGWUBDWIIVJH-WCQYABFASA-N 2 1 273.352 -0.085 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000449744946 354321419 /nfs/dbraw/zinc/32/14/19/354321419.db2.gz APSABPAMQXKDDP-WOPDTQHZSA-N 2 1 253.346 -0.473 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000449744946 354321423 /nfs/dbraw/zinc/32/14/23/354321423.db2.gz APSABPAMQXKDDP-WOPDTQHZSA-N 2 1 253.346 -0.473 20 0 CBADMP C[C@H]1C[C@@H](O)C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000452067077 354346501 /nfs/dbraw/zinc/34/65/01/354346501.db2.gz HGOOVOVLWZTXCY-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1C[C@@H](O)C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000452067077 354346503 /nfs/dbraw/zinc/34/65/03/354346503.db2.gz HGOOVOVLWZTXCY-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000479313365 354407144 /nfs/dbraw/zinc/40/71/44/354407144.db2.gz NCOXDWIOEQFFHE-LBPRGKRZSA-N 2 1 299.419 -0.600 20 0 CBADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486000779 354409051 /nfs/dbraw/zinc/40/90/51/354409051.db2.gz GBQPCOZYTJGAPU-BZPMIXESSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+](C)C/C=C/C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000492069252 354465903 /nfs/dbraw/zinc/46/59/03/354465903.db2.gz RLSSNHDRZAVMCB-NNTXTVRGSA-N 2 1 285.388 -0.696 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000516463176 354557177 /nfs/dbraw/zinc/55/71/77/354557177.db2.gz UCTMMJAZMHBNJP-GRYCIOLGSA-N 2 1 283.372 -0.181 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000519543823 354562653 /nfs/dbraw/zinc/56/26/53/354562653.db2.gz NFVMNULNTQGVJG-STQMWFEESA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]2(O)C[NH+]3CCC2CC3)C1 ZINC000519551353 354563862 /nfs/dbraw/zinc/56/38/62/354563862.db2.gz LXXBASAIAWJQDD-DOMZBBRYSA-N 2 1 281.400 -0.099 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529308980 354583853 /nfs/dbraw/zinc/58/38/53/354583853.db2.gz XIIWPVRNHUKBCT-QWHCGFSZSA-N 2 1 295.431 -0.184 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)C[N@H+]1C1CC1 ZINC000529316831 354585019 /nfs/dbraw/zinc/58/50/19/354585019.db2.gz PLMSZLLITFHQKN-UTUOFQBUSA-N 2 1 282.388 -0.101 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C1CC1 ZINC000534266061 354596106 /nfs/dbraw/zinc/59/61/06/354596106.db2.gz GGRNFZVKNHOWTA-ZIAGYGMSSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)[NH+]1CCCC1 ZINC000534268720 354596560 /nfs/dbraw/zinc/59/65/60/354596560.db2.gz UJRIBIUTYPJBIJ-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCC[C@H]1CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000546591308 354653498 /nfs/dbraw/zinc/65/34/98/354653498.db2.gz ZQZLFFCETFMGCW-AAEUAGOBSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000546591308 354653501 /nfs/dbraw/zinc/65/35/01/354653501.db2.gz ZQZLFFCETFMGCW-AAEUAGOBSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000546591308 354653504 /nfs/dbraw/zinc/65/35/04/354653504.db2.gz ZQZLFFCETFMGCW-AAEUAGOBSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000557265148 354685972 /nfs/dbraw/zinc/68/59/72/354685972.db2.gz AFDKLHAZIAWMLM-TUAOUCFPSA-N 2 1 296.415 -0.443 20 0 CBADMP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)C[C@H](C)[N@@H+]1C ZINC000562821073 354688794 /nfs/dbraw/zinc/68/87/94/354688794.db2.gz VJTYXDMGFCMURO-FRRDWIJNSA-N 2 1 283.420 -0.376 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000562831636 354689133 /nfs/dbraw/zinc/68/91/33/354689133.db2.gz HLGMIMRBYLXEMP-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000562831636 354689135 /nfs/dbraw/zinc/68/91/35/354689135.db2.gz HLGMIMRBYLXEMP-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CN1CCN(C[C@@H](O)C[NH2+]CCC2CC[NH+](C)CC2)CC1 ZINC000562987398 354690567 /nfs/dbraw/zinc/69/05/67/354690567.db2.gz NZWJPHHCAGGULU-INIZCTEOSA-N 2 1 298.475 -0.084 20 0 CBADMP C[N@@H+](CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000563055008 354693765 /nfs/dbraw/zinc/69/37/65/354693765.db2.gz JSENRXAWAAERHR-LLVKDONJSA-N 2 1 292.387 -0.146 20 0 CBADMP C[C@H](CNC(=O)C1([NH3+])CCC1)C[NH+]1CCOCC1 ZINC000563081606 354695373 /nfs/dbraw/zinc/69/53/73/354695373.db2.gz LFYZGWOOMXRHEA-LLVKDONJSA-N 2 1 255.362 -0.048 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]CCC(=O)Nc1cccnc1 ZINC000563139708 354699170 /nfs/dbraw/zinc/69/91/70/354699170.db2.gz BTGCTCGSFWAFNQ-LLVKDONJSA-N 2 1 252.318 -0.420 20 0 CBADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000563150013 354699807 /nfs/dbraw/zinc/69/98/07/354699807.db2.gz SYUMLXOSPCEQAK-OLZOCXBDSA-N 3 1 266.389 -0.508 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000563150013 354699811 /nfs/dbraw/zinc/69/98/11/354699811.db2.gz SYUMLXOSPCEQAK-OLZOCXBDSA-N 3 1 266.389 -0.508 20 0 CBADMP C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000563150806 354700013 /nfs/dbraw/zinc/70/00/13/354700013.db2.gz RGILZGJEQBFYSV-CQSZACIVSA-N 3 1 252.406 -0.033 20 0 CBADMP C(CN1CC[NH2+]CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563150806 354700017 /nfs/dbraw/zinc/70/00/17/354700017.db2.gz RGILZGJEQBFYSV-CQSZACIVSA-N 2 1 252.406 -0.033 20 0 CBADMP C[NH2+]CCCC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000563166170 354700970 /nfs/dbraw/zinc/70/09/70/354700970.db2.gz PSCSILRCTVEVPV-NSHDSACASA-N 2 1 265.361 -0.107 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000563814384 354706216 /nfs/dbraw/zinc/70/62/16/354706216.db2.gz SXLVHTCZGAREOA-YPMHNXCESA-N 2 1 255.362 -0.035 20 0 CBADMP CN(CCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000564085255 354710106 /nfs/dbraw/zinc/71/01/06/354710106.db2.gz IULKLUKWXWTXLS-LBPRGKRZSA-N 3 1 254.378 -0.556 20 0 CBADMP C[C@H]([NH3+])C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000564656622 354714707 /nfs/dbraw/zinc/71/47/07/354714707.db2.gz VHLDVRQFDXDBPH-UNXYVOJBSA-N 2 1 254.378 -0.334 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(=O)n(C)c1=O ZINC000564973634 354722748 /nfs/dbraw/zinc/72/27/48/354722748.db2.gz MBYNIHJHRVCBNF-TXEJJXNPSA-N 2 1 292.383 -0.485 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000564989224 354724314 /nfs/dbraw/zinc/72/43/14/354724314.db2.gz BYUNEPVPAYDTAU-QWHCGFSZSA-N 3 1 268.405 -0.133 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000564989224 354724317 /nfs/dbraw/zinc/72/43/17/354724317.db2.gz BYUNEPVPAYDTAU-QWHCGFSZSA-N 2 1 268.405 -0.133 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000564989224 354724321 /nfs/dbraw/zinc/72/43/21/354724321.db2.gz BYUNEPVPAYDTAU-QWHCGFSZSA-N 2 1 268.405 -0.133 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000564989874 354724663 /nfs/dbraw/zinc/72/46/63/354724663.db2.gz WABYEXPAIRKBOP-QWRGUYRKSA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000564989872 354724980 /nfs/dbraw/zinc/72/49/80/354724980.db2.gz WABYEXPAIRKBOP-GHMZBOCLSA-N 2 1 271.361 -0.323 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000565040793 354726335 /nfs/dbraw/zinc/72/63/35/354726335.db2.gz XVWFWDALVORDQE-OLZOCXBDSA-N 2 1 296.415 -0.297 20 0 CBADMP COC1(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)CCOCC1 ZINC000565869472 354747345 /nfs/dbraw/zinc/74/73/45/354747345.db2.gz JTACURTZTAMMIV-UHFFFAOYSA-N 2 1 299.415 -0.064 20 0 CBADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC000565898284 354748747 /nfs/dbraw/zinc/74/87/47/354748747.db2.gz ZODJBQOZWUCBAJ-CQSZACIVSA-N 2 1 280.372 -0.044 20 0 CBADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC000565898284 354748749 /nfs/dbraw/zinc/74/87/49/354748749.db2.gz ZODJBQOZWUCBAJ-CQSZACIVSA-N 2 1 280.372 -0.044 20 0 CBADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC000565898284 354748752 /nfs/dbraw/zinc/74/87/52/354748752.db2.gz ZODJBQOZWUCBAJ-CQSZACIVSA-N 2 1 280.372 -0.044 20 0 CBADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC000565898284 354748754 /nfs/dbraw/zinc/74/87/54/354748754.db2.gz ZODJBQOZWUCBAJ-CQSZACIVSA-N 2 1 280.372 -0.044 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H](C)[NH2+]C)CC1 ZINC000565962273 354749594 /nfs/dbraw/zinc/74/95/94/354749594.db2.gz YYAUXGDNXAUDJR-STQMWFEESA-N 2 1 270.421 -0.016 20 0 CBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000566000198 354749816 /nfs/dbraw/zinc/74/98/16/354749816.db2.gz KEQGOVDXGWBBDA-NSHDSACASA-N 2 1 296.415 -0.299 20 0 CBADMP CC[NH2+]CCCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000566010443 354750952 /nfs/dbraw/zinc/75/09/52/354750952.db2.gz WMYSJYGDPIXPNT-GFCCVEGCSA-N 2 1 256.394 -0.262 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CCNC(=O)c1cnccn1)C1CC1 ZINC000566110842 354753671 /nfs/dbraw/zinc/75/36/71/354753671.db2.gz ROHKJDUYANGINK-LBPRGKRZSA-N 2 1 293.371 -0.749 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCNC(=O)c1cnccn1)C1CC1 ZINC000566110842 354753674 /nfs/dbraw/zinc/75/36/74/354753674.db2.gz ROHKJDUYANGINK-LBPRGKRZSA-N 2 1 293.371 -0.749 20 0 CBADMP C[C@@]1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]C1 ZINC000566207077 354757501 /nfs/dbraw/zinc/75/75/01/354757501.db2.gz RBDSGMBCFLPHLA-IUODEOHRSA-N 2 1 294.399 -0.591 20 0 CBADMP C[C@]1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]C1 ZINC000566207079 354757530 /nfs/dbraw/zinc/75/75/30/354757530.db2.gz RBDSGMBCFLPHLA-WFASDCNBSA-N 2 1 294.399 -0.591 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000566214652 354758155 /nfs/dbraw/zinc/75/81/55/354758155.db2.gz XGOFWOAUZOZTFH-SCVCMEIPSA-N 2 1 259.325 -0.347 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)C1CCOCC1)C1CC1 ZINC000566235729 354759071 /nfs/dbraw/zinc/75/90/71/354759071.db2.gz VLEWHHASXFLQEB-KGLIPLIRSA-N 2 1 272.389 -0.181 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)C1CCOCC1)C1CC1 ZINC000566235729 354759074 /nfs/dbraw/zinc/75/90/74/354759074.db2.gz VLEWHHASXFLQEB-KGLIPLIRSA-N 2 1 272.389 -0.181 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000566287170 354761342 /nfs/dbraw/zinc/76/13/42/354761342.db2.gz YXBWTOHSYQYIGE-UWVGGRQHSA-N 2 1 257.334 -0.665 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000566289871 354761759 /nfs/dbraw/zinc/76/17/59/354761759.db2.gz KHEABVDQCONOPI-CQSZACIVSA-N 2 1 297.447 -0.885 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000566289869 354761824 /nfs/dbraw/zinc/76/18/24/354761824.db2.gz KHEABVDQCONOPI-AWEZNQCLSA-N 2 1 297.447 -0.885 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccco1 ZINC000566507609 354769590 /nfs/dbraw/zinc/76/95/90/354769590.db2.gz JCLJJTKCCZHLLN-WDEREUQCSA-N 2 1 294.355 -0.523 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000566511032 354770125 /nfs/dbraw/zinc/77/01/25/354770125.db2.gz GZFXFWUWQVHGEE-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000567368495 354786665 /nfs/dbraw/zinc/78/66/65/354786665.db2.gz XXDYZSUZTSCZJL-FRRDWIJNSA-N 3 1 266.389 -0.380 20 0 CBADMP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000567368586 354786687 /nfs/dbraw/zinc/78/66/87/354786687.db2.gz BGLKDEYKJKMJDT-OLZOCXBDSA-N 2 1 283.420 -0.469 20 0 CBADMP C[C@@H](CNC(=O)N(C)CCC[NH3+])C[NH+]1CCOCC1 ZINC000567409228 354787525 /nfs/dbraw/zinc/78/75/25/354787525.db2.gz VQCYIVXLXGHODM-LBPRGKRZSA-N 2 1 272.393 -0.055 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567470283 354788966 /nfs/dbraw/zinc/78/89/66/354788966.db2.gz YTNLJNUSQWVSKB-QMMMGPOBSA-N 2 1 288.302 -0.646 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]CC2(O)CCC2)CC1 ZINC000565358643 354736418 /nfs/dbraw/zinc/73/64/18/354736418.db2.gz GAMUVLCHPBDNEX-UHFFFAOYSA-N 2 1 255.362 -0.345 20 0 CBADMP C[C@H]([NH2+]CCC(=O)NC(N)=O)C1=CC[N@@H+](C)CC1 ZINC000565416690 354738245 /nfs/dbraw/zinc/73/82/45/354738245.db2.gz BDSHLPACPSXSEV-VIFPVBQESA-N 2 1 254.334 -0.189 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000567843254 354800885 /nfs/dbraw/zinc/80/08/85/354800885.db2.gz SAQHOHBIWDRESQ-NWDGAFQWSA-N 2 1 271.361 -0.717 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000567843254 354800886 /nfs/dbraw/zinc/80/08/86/354800886.db2.gz SAQHOHBIWDRESQ-NWDGAFQWSA-N 2 1 271.361 -0.717 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000567876061 354802504 /nfs/dbraw/zinc/80/25/04/354802504.db2.gz OBSWRRIVRVIMEI-OLZOCXBDSA-N 2 1 268.357 -0.095 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000567880063 354802752 /nfs/dbraw/zinc/80/27/52/354802752.db2.gz AYQXOECRBOQTDD-BJDJZHNGSA-N 2 1 284.404 -0.173 20 0 CBADMP CS(=O)(=O)NCC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567894713 354803254 /nfs/dbraw/zinc/80/32/54/354803254.db2.gz PNKRGNKQHHZSDL-NSHDSACASA-N 2 1 291.417 -0.777 20 0 CBADMP CS(=O)(=O)NCC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567894713 354803257 /nfs/dbraw/zinc/80/32/57/354803257.db2.gz PNKRGNKQHHZSDL-NSHDSACASA-N 2 1 291.417 -0.777 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000567889713 354803272 /nfs/dbraw/zinc/80/32/72/354803272.db2.gz LZMOKDREFHEORF-CQSZACIVSA-N 2 1 268.405 -0.179 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000567889713 354803278 /nfs/dbraw/zinc/80/32/78/354803278.db2.gz LZMOKDREFHEORF-CQSZACIVSA-N 3 1 268.405 -0.179 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000567889713 354803282 /nfs/dbraw/zinc/80/32/82/354803282.db2.gz LZMOKDREFHEORF-CQSZACIVSA-N 3 1 268.405 -0.179 20 0 CBADMP CCC(=O)N[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000567897477 354804192 /nfs/dbraw/zinc/80/41/92/354804192.db2.gz UMBONDGFMOFUPB-CYBMUJFWSA-N 2 1 268.405 -0.118 20 0 CBADMP [NH3+]CCCOC1CC[NH+](CCC(=O)N2CCNCC2)CC1 ZINC000567897021 354804560 /nfs/dbraw/zinc/80/45/60/354804560.db2.gz UHWDKZOHVKEYQA-UHFFFAOYSA-N 2 1 298.431 -0.362 20 0 CBADMP C[NH2+]CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000567982935 354806838 /nfs/dbraw/zinc/80/68/38/354806838.db2.gz BDZTVLODDPMNRU-UHFFFAOYSA-N 3 1 263.345 -0.009 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)C1CCOCC1 ZINC000568166735 354813471 /nfs/dbraw/zinc/81/34/71/354813471.db2.gz RPOZAGVCACTOOQ-STQMWFEESA-N 2 1 260.378 -0.324 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC000568181148 354814759 /nfs/dbraw/zinc/81/47/59/354814759.db2.gz LXBCISCMXYWZGI-RDBSUJKOSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000568181148 354814762 /nfs/dbraw/zinc/81/47/62/354814762.db2.gz LXBCISCMXYWZGI-RDBSUJKOSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000568181148 354814765 /nfs/dbraw/zinc/81/47/65/354814765.db2.gz LXBCISCMXYWZGI-RDBSUJKOSA-N 2 1 273.421 -0.314 20 0 CBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000568765611 354831489 /nfs/dbraw/zinc/83/14/89/354831489.db2.gz ONFBQEBVNSMWBU-CYBMUJFWSA-N 2 1 299.415 -0.174 20 0 CBADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000568765611 354831490 /nfs/dbraw/zinc/83/14/90/354831490.db2.gz ONFBQEBVNSMWBU-CYBMUJFWSA-N 2 1 299.415 -0.174 20 0 CBADMP CCOCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000568765612 354831508 /nfs/dbraw/zinc/83/15/08/354831508.db2.gz ONFBQEBVNSMWBU-ZDUSSCGKSA-N 2 1 299.415 -0.174 20 0 CBADMP CCOCCNC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000568765612 354831510 /nfs/dbraw/zinc/83/15/10/354831510.db2.gz ONFBQEBVNSMWBU-ZDUSSCGKSA-N 2 1 299.415 -0.174 20 0 CBADMP NC(=O)CC[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000570710416 354867941 /nfs/dbraw/zinc/86/79/41/354867941.db2.gz ZIMSVMQREWDJIR-JTQLQIEISA-N 2 1 256.350 -0.961 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000570860010 354871729 /nfs/dbraw/zinc/87/17/29/354871729.db2.gz SYQBOEPQGZXHFZ-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000570860010 354871731 /nfs/dbraw/zinc/87/17/31/354871731.db2.gz SYQBOEPQGZXHFZ-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000571683545 354877688 /nfs/dbraw/zinc/87/76/88/354877688.db2.gz SUUSAPSZEUDOLB-MCIONIFRSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@H]1C(=O)NCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000569693999 354843986 /nfs/dbraw/zinc/84/39/86/354843986.db2.gz FFCFRQMDFYRNOS-NSHDSACASA-N 2 1 268.361 -0.981 20 0 CBADMP CN1CC[C@@H]([N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000570280673 354858964 /nfs/dbraw/zinc/85/89/64/354858964.db2.gz FAMZJYDIUUPXBU-QWHCGFSZSA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cnn(C)c1 ZINC000570330787 354859507 /nfs/dbraw/zinc/85/95/07/354859507.db2.gz MXESUIRFBDGQOE-ZJUUUORDSA-N 2 1 287.314 -0.206 20 0 CBADMP O[C@@H]1COCC[NH+](CCCC[N@@H+]2CCOC[C@@H](O)C2)C1 ZINC000572031156 354885304 /nfs/dbraw/zinc/88/53/04/354885304.db2.gz DAKYJKMATNOUGX-KBPBESRZSA-N 2 1 288.388 -0.847 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000572242019 354889018 /nfs/dbraw/zinc/88/90/18/354889018.db2.gz VGEVKUFFFJFEIK-JQWIXIFHSA-N 2 1 259.325 -0.475 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000572517316 354893446 /nfs/dbraw/zinc/89/34/46/354893446.db2.gz LZNSJKYPNMEWRQ-IJLUTSLNSA-N 2 1 282.388 -0.702 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000572734158 354895804 /nfs/dbraw/zinc/89/58/04/354895804.db2.gz XKFATFOLOLVPFR-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572736048 354896797 /nfs/dbraw/zinc/89/67/97/354896797.db2.gz IORUWRVNXCEJRE-RNJOBUHISA-N 2 1 294.399 -0.370 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NCC[N@H+]1CCCOCC1 ZINC000572958983 354900716 /nfs/dbraw/zinc/90/07/16/354900716.db2.gz VXEDVBPVZIFHNA-LLVKDONJSA-N 2 1 259.350 -0.811 20 0 CBADMP C[C@H](C(=O)N(C)C1CC([NH3+])C1)N1CC[NH+](C)CC1 ZINC000573610284 354917699 /nfs/dbraw/zinc/91/76/99/354917699.db2.gz IZECLLRSJZDNMW-VOMCLLRMSA-N 2 1 254.378 -0.430 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000573124287 354906124 /nfs/dbraw/zinc/90/61/24/354906124.db2.gz YJGVZIMWZMDOAQ-GARJFASQSA-N 2 1 269.345 -0.380 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000573124287 354906130 /nfs/dbraw/zinc/90/61/30/354906130.db2.gz YJGVZIMWZMDOAQ-GARJFASQSA-N 2 1 269.345 -0.380 20 0 CBADMP C(C[N@H+]1CCC[C@@H]1CN1CCOCC1)N1CC[NH2+]CC1 ZINC000573124006 354906318 /nfs/dbraw/zinc/90/63/18/354906318.db2.gz ROJPWFGDTYRDOI-OAHLLOKOSA-N 2 1 282.432 -0.312 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H](C)[N@H+]1C ZINC000573197856 354907200 /nfs/dbraw/zinc/90/72/00/354907200.db2.gz IWKZJEADHRSADM-XQHKEYJVSA-N 2 1 294.399 -0.642 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H](C)[N@@H+]1C ZINC000573197856 354907204 /nfs/dbraw/zinc/90/72/04/354907204.db2.gz IWKZJEADHRSADM-XQHKEYJVSA-N 2 1 294.399 -0.642 20 0 CBADMP C[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+]1CCSCC1 ZINC000573645617 354918013 /nfs/dbraw/zinc/91/80/13/354918013.db2.gz IYADJEHTUNCMLP-SRVKXCTJSA-N 2 1 287.429 -0.443 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000573442807 354913364 /nfs/dbraw/zinc/91/33/64/354913364.db2.gz PPCOJOFNXHQTMP-JTQLQIEISA-N 2 1 257.334 -0.569 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000571778523 354880410 /nfs/dbraw/zinc/88/04/10/354880410.db2.gz MKWXPCDPBYTUOH-ZYHUDNBSSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@]12CCNC2=O ZINC000571818663 354880968 /nfs/dbraw/zinc/88/09/68/354880968.db2.gz SQCCVLWKDXIBRT-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000571882587 354882542 /nfs/dbraw/zinc/88/25/42/354882542.db2.gz LMOLADRPHLGOBV-NEPJUHHUSA-N 2 1 255.362 -0.048 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000573819657 354921596 /nfs/dbraw/zinc/92/15/96/354921596.db2.gz CHUHKXMBTDSTNN-VXGBXAGGSA-N 2 1 269.393 -0.717 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000573819655 354921699 /nfs/dbraw/zinc/92/16/99/354921699.db2.gz CHUHKXMBTDSTNN-NWDGAFQWSA-N 2 1 269.393 -0.717 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000573864609 354924177 /nfs/dbraw/zinc/92/41/77/354924177.db2.gz RNMUARUDDYYJMU-VWYCJHECSA-N 2 1 280.372 -0.794 20 0 CBADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCc3cccnc3)CCN2C1=O ZINC000573863607 354924425 /nfs/dbraw/zinc/92/44/25/354924425.db2.gz UYHPDDFDKZSTCI-OLZOCXBDSA-N 2 1 260.341 -0.132 20 0 CBADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCc3cccnc3)CCN2C1=O ZINC000573863607 354924427 /nfs/dbraw/zinc/92/44/27/354924427.db2.gz UYHPDDFDKZSTCI-OLZOCXBDSA-N 2 1 260.341 -0.132 20 0 CBADMP CCC[NH2+][C@H](C)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000574159777 354929467 /nfs/dbraw/zinc/92/94/67/354929467.db2.gz RVYRTUHSBWJNCR-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)CN1CCOCC1 ZINC000574191820 354930076 /nfs/dbraw/zinc/93/00/76/354930076.db2.gz IXMPADNZMJENTL-DZGCQCFKSA-N 2 1 285.432 -0.001 20 0 CBADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)CN1CCOCC1 ZINC000574191820 354930079 /nfs/dbraw/zinc/93/00/79/354930079.db2.gz IXMPADNZMJENTL-DZGCQCFKSA-N 2 1 285.432 -0.001 20 0 CBADMP CN(C)c1ncc(C[N@@H+](C)CCOCC[NH3+])cn1 ZINC000578323976 354942915 /nfs/dbraw/zinc/94/29/15/354942915.db2.gz AKEOEYKULTWUEL-UHFFFAOYSA-N 2 1 253.350 -0.050 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000578551646 354949629 /nfs/dbraw/zinc/94/96/29/354949629.db2.gz BRIXSLHVCYWTRZ-QWRGUYRKSA-N 2 1 256.350 -0.944 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000578551646 354949631 /nfs/dbraw/zinc/94/96/31/354949631.db2.gz BRIXSLHVCYWTRZ-QWRGUYRKSA-N 2 1 256.350 -0.944 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000578651679 354951859 /nfs/dbraw/zinc/95/18/59/354951859.db2.gz GLYLYPGZCILTPL-MNOVXSKESA-N 2 1 295.387 -0.060 20 0 CBADMP O=C(NC[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000578770316 354954562 /nfs/dbraw/zinc/95/45/62/354954562.db2.gz PLAKQIFFFYOSNP-RWMBFGLXSA-N 2 1 294.399 -0.545 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000578866756 354956654 /nfs/dbraw/zinc/95/66/54/354956654.db2.gz YRSRFTKUDHRUSL-UHFFFAOYSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000579256941 354967595 /nfs/dbraw/zinc/96/75/95/354967595.db2.gz LAJHSSSIZJKWAB-JSGCOSHPSA-N 2 1 267.373 -0.347 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579370331 354968676 /nfs/dbraw/zinc/96/86/76/354968676.db2.gz FSQNLESYHYTTOD-OLZOCXBDSA-N 2 1 268.405 -0.038 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000579370331 354968682 /nfs/dbraw/zinc/96/86/82/354968682.db2.gz FSQNLESYHYTTOD-OLZOCXBDSA-N 3 1 268.405 -0.038 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000579370331 354968684 /nfs/dbraw/zinc/96/86/84/354968684.db2.gz FSQNLESYHYTTOD-OLZOCXBDSA-N 3 1 268.405 -0.038 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000579592466 354974805 /nfs/dbraw/zinc/97/48/05/354974805.db2.gz UVTGGYLUVSWHGA-VHSXEESVSA-N 2 1 281.360 -0.450 20 0 CBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000579692528 354976998 /nfs/dbraw/zinc/97/69/98/354976998.db2.gz GAGOHXHEUXZHLD-PWSUYJOCSA-N 2 1 280.372 -0.983 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cn1ccnc1 ZINC000579719752 354977912 /nfs/dbraw/zinc/97/79/12/354977912.db2.gz IBRFIXUALSTDDE-NWDGAFQWSA-N 2 1 266.345 -0.203 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+](C)C1CC[NH2+]CC1 ZINC000580196629 354989615 /nfs/dbraw/zinc/98/96/15/354989615.db2.gz VOVVXKVRQZONLU-UHFFFAOYSA-N 2 1 271.361 -0.308 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000580323835 354993570 /nfs/dbraw/zinc/99/35/70/354993570.db2.gz LRAIGPGNUUYBOW-SRVKXCTJSA-N 2 1 271.409 -0.343 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000580323473 354993671 /nfs/dbraw/zinc/99/36/71/354993671.db2.gz ZYCFCOIBMYIKAG-KGLIPLIRSA-N 2 1 298.431 -0.411 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000584527160 355030836 /nfs/dbraw/zinc/03/08/36/355030836.db2.gz XCIDCQMQDHPERX-UHFFFAOYSA-N 2 1 268.405 -0.260 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000581440865 355005270 /nfs/dbraw/zinc/00/52/70/355005270.db2.gz UKNWYRQCMLBFAN-SNVBAGLBSA-N 2 1 268.361 -0.854 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000582062770 355006507 /nfs/dbraw/zinc/00/65/07/355006507.db2.gz AINZPYZNBHPWGY-WUHRBBMRSA-N 2 1 296.415 -0.029 20 0 CBADMP COC[C@](C)(O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000583495415 355018265 /nfs/dbraw/zinc/01/82/65/355018265.db2.gz DJLQNVDCKFJQKA-CHWSQXEVSA-N 2 1 260.378 -0.181 20 0 CBADMP COC[C@](C)(O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000583495415 355018268 /nfs/dbraw/zinc/01/82/68/355018268.db2.gz DJLQNVDCKFJQKA-CHWSQXEVSA-N 2 1 260.378 -0.181 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]CC1(F)F ZINC000583559475 355019981 /nfs/dbraw/zinc/01/99/81/355019981.db2.gz SKKXHGSXBUUYTL-DTWKUNHWSA-N 2 1 263.288 -0.664 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000583565402 355020150 /nfs/dbraw/zinc/02/01/50/355020150.db2.gz KFCQDXKIJQYSLK-NEPJUHHUSA-N 3 1 254.378 -0.523 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000583565402 355020152 /nfs/dbraw/zinc/02/01/52/355020152.db2.gz KFCQDXKIJQYSLK-NEPJUHHUSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000583565402 355020156 /nfs/dbraw/zinc/02/01/56/355020156.db2.gz KFCQDXKIJQYSLK-NEPJUHHUSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000583565405 355020534 /nfs/dbraw/zinc/02/05/34/355020534.db2.gz KFCQDXKIJQYSLK-VXGBXAGGSA-N 3 1 254.378 -0.523 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000583565405 355020537 /nfs/dbraw/zinc/02/05/37/355020537.db2.gz KFCQDXKIJQYSLK-VXGBXAGGSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000583565405 355020539 /nfs/dbraw/zinc/02/05/39/355020539.db2.gz KFCQDXKIJQYSLK-VXGBXAGGSA-N 2 1 254.378 -0.523 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@@H]([NH3+])C(C)C)c1cnn(C)c1 ZINC000583692061 355021843 /nfs/dbraw/zinc/02/18/43/355021843.db2.gz CGXLBEPASOFNTJ-MNOVXSKESA-N 2 1 253.350 -0.220 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000583997104 355027065 /nfs/dbraw/zinc/02/70/65/355027065.db2.gz UDLBHSADFDSIOE-NEPJUHHUSA-N 2 1 256.394 -0.134 20 0 CBADMP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000591726572 355110941 /nfs/dbraw/zinc/11/09/41/355110941.db2.gz PSTMUFPMFSHAOP-ZJUUUORDSA-N 2 1 254.334 -0.212 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)CC[N@H+](C)C1 ZINC000591225049 355093389 /nfs/dbraw/zinc/09/33/89/355093389.db2.gz ICBVJKWVGOYJRW-QWRGUYRKSA-N 2 1 271.361 -0.500 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)CC[N@@H+](C)C1 ZINC000591225049 355093391 /nfs/dbraw/zinc/09/33/91/355093391.db2.gz ICBVJKWVGOYJRW-QWRGUYRKSA-N 2 1 271.361 -0.500 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000592047605 355129044 /nfs/dbraw/zinc/12/90/44/355129044.db2.gz ODTWNKSGMIAKMU-NXEZZACHSA-N 2 1 257.334 -0.523 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000592135922 355133546 /nfs/dbraw/zinc/13/35/46/355133546.db2.gz YKNUGSXOLJMUBO-NEPJUHHUSA-N 2 1 283.372 -0.133 20 0 CBADMP NC(=O)NC(=O)CC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471223 355155500 /nfs/dbraw/zinc/15/55/00/355155500.db2.gz MVULVTQTRBDGAW-UHFFFAOYSA-N 2 1 254.334 -0.212 20 0 CBADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472286 355155729 /nfs/dbraw/zinc/15/57/29/355155729.db2.gz SRBJDKBFKNCGFN-LBPRGKRZSA-N 2 1 299.419 -0.554 20 0 CBADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472286 355155732 /nfs/dbraw/zinc/15/57/32/355155732.db2.gz SRBJDKBFKNCGFN-LBPRGKRZSA-N 2 1 299.419 -0.554 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+](C)C1 ZINC000592806012 355172507 /nfs/dbraw/zinc/17/25/07/355172507.db2.gz GWUXHCNPCRHNJT-JHJVBQTASA-N 2 1 297.399 -0.110 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+](C)C1 ZINC000592806012 355172508 /nfs/dbraw/zinc/17/25/08/355172508.db2.gz GWUXHCNPCRHNJT-JHJVBQTASA-N 2 1 297.399 -0.110 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+](C)C1 ZINC000592806012 355172510 /nfs/dbraw/zinc/17/25/10/355172510.db2.gz GWUXHCNPCRHNJT-JHJVBQTASA-N 2 1 297.399 -0.110 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000593737140 355217118 /nfs/dbraw/zinc/21/71/18/355217118.db2.gz OXCCWXYPTYJZPD-RYUDHWBXSA-N 2 1 299.371 -0.929 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000593737140 355217119 /nfs/dbraw/zinc/21/71/19/355217119.db2.gz OXCCWXYPTYJZPD-RYUDHWBXSA-N 2 1 299.371 -0.929 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593730163 355217590 /nfs/dbraw/zinc/21/75/90/355217590.db2.gz LALFQCSLTFHZSK-TUAOUCFPSA-N 2 1 298.387 -0.197 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000594943443 355269722 /nfs/dbraw/zinc/26/97/22/355269722.db2.gz DWUXHOBXWCUMGW-SBFPOUOMSA-N 2 1 256.346 -0.160 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000594943443 355269726 /nfs/dbraw/zinc/26/97/26/355269726.db2.gz DWUXHOBXWCUMGW-SBFPOUOMSA-N 2 1 256.346 -0.160 20 0 CBADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)NC(N)=O)C2 ZINC000595506445 355288990 /nfs/dbraw/zinc/28/89/90/355288990.db2.gz CIHVLMITLKKCIE-ZDUSSCGKSA-N 2 1 268.361 -0.011 20 0 CBADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)NC(N)=O)C2 ZINC000595506445 355288993 /nfs/dbraw/zinc/28/89/93/355288993.db2.gz CIHVLMITLKKCIE-ZDUSSCGKSA-N 2 1 268.361 -0.011 20 0 CBADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)NC(N)=O)C2 ZINC000595506445 355288997 /nfs/dbraw/zinc/28/89/97/355288997.db2.gz CIHVLMITLKKCIE-ZDUSSCGKSA-N 2 1 268.361 -0.011 20 0 CBADMP NC(=O)NC(=O)CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595868549 355312352 /nfs/dbraw/zinc/31/23/52/355312352.db2.gz PUDNUUKDCRTFRL-GFCCVEGCSA-N 2 1 298.387 -0.508 20 0 CBADMP NC(=O)NC(=O)CCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595868549 355312355 /nfs/dbraw/zinc/31/23/55/355312355.db2.gz PUDNUUKDCRTFRL-GFCCVEGCSA-N 2 1 298.387 -0.508 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)C1=O ZINC000595890171 355314690 /nfs/dbraw/zinc/31/46/90/355314690.db2.gz YYXAJOKQXZPBSU-TUAOUCFPSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H](C)O1 ZINC000595896763 355315698 /nfs/dbraw/zinc/31/56/98/355315698.db2.gz XEONJHOSRWIALQ-SRVKXCTJSA-N 2 1 284.356 -0.230 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H](C)O1 ZINC000595896763 355315701 /nfs/dbraw/zinc/31/57/01/355315701.db2.gz XEONJHOSRWIALQ-SRVKXCTJSA-N 2 1 284.356 -0.230 20 0 CBADMP COC[C@]1(C(=O)OC)CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000595905603 355317793 /nfs/dbraw/zinc/31/77/93/355317793.db2.gz WAIRMEDGDNILOA-AWEZNQCLSA-N 2 1 285.388 -0.454 20 0 CBADMP COC[C@]1(C(=O)OC)CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000595905603 355317795 /nfs/dbraw/zinc/31/77/95/355317795.db2.gz WAIRMEDGDNILOA-AWEZNQCLSA-N 2 1 285.388 -0.454 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000595944526 355324030 /nfs/dbraw/zinc/32/40/30/355324030.db2.gz MDEGUYFSPSDXFE-MNOVXSKESA-N 2 1 271.361 -0.133 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000595958245 355328687 /nfs/dbraw/zinc/32/86/87/355328687.db2.gz ZGYGANAJTYXYIV-SRVKXCTJSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000595957012 355328764 /nfs/dbraw/zinc/32/87/64/355328764.db2.gz SNOJICQFRHGDDV-NSHDSACASA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420312009 291066185 /nfs/dbraw/zinc/06/61/85/291066185.db2.gz HNDHMEXANOBMEY-QWRGUYRKSA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CN(C)C(=O)CC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420375426 291066700 /nfs/dbraw/zinc/06/67/00/291066700.db2.gz SXIGHBMSNBEAJX-MISXGVKJSA-N 2 1 285.388 -0.016 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000599936619 355520371 /nfs/dbraw/zinc/52/03/71/355520371.db2.gz YICVVANITBOGQS-TUAOUCFPSA-N 2 1 295.387 -0.966 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325865 355585820 /nfs/dbraw/zinc/58/58/20/355585820.db2.gz GSDMWIQNPZZZGI-KXUCPTDWSA-N 2 1 256.350 -0.253 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325865 355585822 /nfs/dbraw/zinc/58/58/22/355585822.db2.gz GSDMWIQNPZZZGI-KXUCPTDWSA-N 2 1 256.350 -0.253 20 0 CBADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CCOCC[NH3+] ZINC000600737405 355564064 /nfs/dbraw/zinc/56/40/64/355564064.db2.gz VGZQAWDEIWJEBX-JTQLQIEISA-N 2 1 288.392 -0.094 20 0 CBADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000600734120 355564261 /nfs/dbraw/zinc/56/42/61/355564261.db2.gz DQWOONVAADSHMS-SNVBAGLBSA-N 2 1 274.365 -0.484 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CC3=CCCOC3)CCN2C1=O ZINC000600767686 355566227 /nfs/dbraw/zinc/56/62/27/355566227.db2.gz CDRDNMCCFWAVOZ-NWDGAFQWSA-N 2 1 251.330 -0.423 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC3=CCCOC3)CCN2C1=O ZINC000600767686 355566229 /nfs/dbraw/zinc/56/62/29/355566229.db2.gz CDRDNMCCFWAVOZ-NWDGAFQWSA-N 2 1 251.330 -0.423 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000601026912 355576613 /nfs/dbraw/zinc/57/66/13/355576613.db2.gz ZRPKEYGWJLKZQB-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000601026912 355576618 /nfs/dbraw/zinc/57/66/18/355576618.db2.gz ZRPKEYGWJLKZQB-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000601026912 355576620 /nfs/dbraw/zinc/57/66/20/355576620.db2.gz ZRPKEYGWJLKZQB-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000601026914 355577119 /nfs/dbraw/zinc/57/71/19/355577119.db2.gz ZRPKEYGWJLKZQB-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000601026914 355577121 /nfs/dbraw/zinc/57/71/21/355577121.db2.gz ZRPKEYGWJLKZQB-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000601026914 355577123 /nfs/dbraw/zinc/57/71/23/355577123.db2.gz ZRPKEYGWJLKZQB-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000602493101 355653623 /nfs/dbraw/zinc/65/36/23/355653623.db2.gz NKZORKCODBDHJM-NWDGAFQWSA-N 2 1 283.372 -0.166 20 0 CBADMP C[N@@H+](CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)CC(C)(C)C ZINC000602523804 355657293 /nfs/dbraw/zinc/65/72/93/355657293.db2.gz IGEGCZURTXTLRE-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@H+]1C ZINC000602525150 355657582 /nfs/dbraw/zinc/65/75/82/355657582.db2.gz MYIGENHSSFIGML-WUHRBBMRSA-N 2 1 294.399 -0.513 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[N@H+]1C ZINC000602525155 355657803 /nfs/dbraw/zinc/65/78/03/355657803.db2.gz MYIGENHSSFIGML-ZDEQEGDKSA-N 2 1 294.399 -0.513 20 0 CBADMP C[C@@H]1CC[C@H](C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)O1 ZINC000601965194 355622164 /nfs/dbraw/zinc/62/21/64/355622164.db2.gz WQDVBOPRCJWVQN-KKOKHZNYSA-N 2 1 253.346 -0.202 20 0 CBADMP C[C@@H]1CC[C@H](C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)O1 ZINC000601965194 355622166 /nfs/dbraw/zinc/62/21/66/355622166.db2.gz WQDVBOPRCJWVQN-KKOKHZNYSA-N 2 1 253.346 -0.202 20 0 CBADMP Cn1nccc1CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000601964743 355622212 /nfs/dbraw/zinc/62/22/12/355622212.db2.gz SAYSOEVJEGMKKR-VXGBXAGGSA-N 2 1 263.345 -0.794 20 0 CBADMP Cn1nccc1CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000601964743 355622215 /nfs/dbraw/zinc/62/22/15/355622215.db2.gz SAYSOEVJEGMKKR-VXGBXAGGSA-N 2 1 263.345 -0.794 20 0 CBADMP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000602020010 355625720 /nfs/dbraw/zinc/62/57/20/355625720.db2.gz HQBIZCZQWXGYHF-VGMNWLOBSA-N 2 1 257.334 -0.750 20 0 CBADMP COC(=O)[C@H]1C[NH2+]CCCN1CCc1c[nH+]cn1C ZINC000603430044 355715006 /nfs/dbraw/zinc/71/50/06/355715006.db2.gz QSIDYAOBDPMSAE-GFCCVEGCSA-N 2 1 266.345 -0.201 20 0 CBADMP CCCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000603434882 355716111 /nfs/dbraw/zinc/71/61/11/355716111.db2.gz UFYZNDPBLXZHMH-IUCAKERBSA-N 2 1 256.350 -0.062 20 0 CBADMP COC(=O)CCN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)C1=O ZINC000603434028 355716218 /nfs/dbraw/zinc/71/62/18/355716218.db2.gz OUEOCKNFBGROEK-HBNTYKKESA-N 2 1 283.372 -0.134 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602875810 355679456 /nfs/dbraw/zinc/67/94/56/355679456.db2.gz APULOSVSEOICSQ-SNVBAGLBSA-N 2 1 268.361 -0.013 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612879554 355853993 /nfs/dbraw/zinc/85/39/93/355853993.db2.gz ZMFLIWZUDJJQTL-TZMCWYRMSA-N 2 1 283.420 -0.327 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612881188 355854948 /nfs/dbraw/zinc/85/49/48/355854948.db2.gz ZCWFOJLJXKIHHK-WCQYABFASA-N 2 1 269.393 -0.717 20 0 CBADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000612993766 355860080 /nfs/dbraw/zinc/86/00/80/355860080.db2.gz FJBFVGRZADSIRA-YNEHKIRRSA-N 2 1 294.399 -0.411 20 0 CBADMP C(=C\C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)\CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613996125 355926639 /nfs/dbraw/zinc/92/66/39/355926639.db2.gz PWEDYBAZADZXAJ-UYRVCGCOSA-N 3 1 276.428 -0.155 20 0 CBADMP C(=C\C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)\CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613996125 355926642 /nfs/dbraw/zinc/92/66/42/355926642.db2.gz PWEDYBAZADZXAJ-UYRVCGCOSA-N 3 1 276.428 -0.155 20 0 CBADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000614068455 355933856 /nfs/dbraw/zinc/93/38/56/355933856.db2.gz NJTBZRNDUHZPSQ-TZMCWYRMSA-N 2 1 269.389 -0.004 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H](CO)C[NH+](C)C)CC2 ZINC000614847868 355989458 /nfs/dbraw/zinc/98/94/58/355989458.db2.gz OILMYBADMMCCPO-NEPJUHHUSA-N 2 1 280.372 -0.207 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000614506871 355965156 /nfs/dbraw/zinc/96/51/56/355965156.db2.gz JYAWMFGTFXCUGL-OLZOCXBDSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614506871 355965159 /nfs/dbraw/zinc/96/51/59/355965159.db2.gz JYAWMFGTFXCUGL-OLZOCXBDSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614506871 355965165 /nfs/dbraw/zinc/96/51/65/355965165.db2.gz JYAWMFGTFXCUGL-OLZOCXBDSA-N 2 1 266.389 -0.413 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000614506103 355965592 /nfs/dbraw/zinc/96/55/92/355965592.db2.gz VWOOLXIMVJWNIL-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000614506103 355965594 /nfs/dbraw/zinc/96/55/94/355965594.db2.gz VWOOLXIMVJWNIL-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000614506103 355965597 /nfs/dbraw/zinc/96/55/97/355965597.db2.gz VWOOLXIMVJWNIL-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000615509998 356037302 /nfs/dbraw/zinc/03/73/02/356037302.db2.gz VZFSRTROINUKQM-LBPRGKRZSA-N 2 1 255.362 -0.273 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000615509998 356037306 /nfs/dbraw/zinc/03/73/06/356037306.db2.gz VZFSRTROINUKQM-LBPRGKRZSA-N 2 1 255.362 -0.273 20 0 CBADMP C[C@H](C(=O)N1CC(C[NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000615510802 356037402 /nfs/dbraw/zinc/03/74/02/356037402.db2.gz XKPYHKPIIDXANS-GFCCVEGCSA-N 2 1 268.405 -0.358 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000615141919 356010904 /nfs/dbraw/zinc/01/09/04/356010904.db2.gz STNHCIWDMPXKIW-ZDUSSCGKSA-N 2 1 267.373 -0.271 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000615141919 356010907 /nfs/dbraw/zinc/01/09/07/356010907.db2.gz STNHCIWDMPXKIW-ZDUSSCGKSA-N 2 1 267.373 -0.271 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC000617504014 356139278 /nfs/dbraw/zinc/13/92/78/356139278.db2.gz FDTMABODHBWTHP-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC000617504014 356139282 /nfs/dbraw/zinc/13/92/82/356139282.db2.gz FDTMABODHBWTHP-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CC(=O)N1 ZINC000617503352 356139305 /nfs/dbraw/zinc/13/93/05/356139305.db2.gz FVWWNPOCQKVJET-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CC(=O)N1 ZINC000617503352 356139309 /nfs/dbraw/zinc/13/93/09/356139309.db2.gz FVWWNPOCQKVJET-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP COC[C@](C)(O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506697 356139459 /nfs/dbraw/zinc/13/94/59/356139459.db2.gz WLTPAERYEPKDSY-JSGCOSHPSA-N 2 1 289.420 -0.228 20 0 CBADMP COC[C@](C)(O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506697 356139462 /nfs/dbraw/zinc/13/94/62/356139462.db2.gz WLTPAERYEPKDSY-JSGCOSHPSA-N 2 1 289.420 -0.228 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1cncn1 ZINC000617505030 356139752 /nfs/dbraw/zinc/13/97/52/356139752.db2.gz UDDKLQLTBYIWRE-LBPRGKRZSA-N 2 1 282.392 -0.334 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1cncn1 ZINC000617505030 356139754 /nfs/dbraw/zinc/13/97/54/356139754.db2.gz UDDKLQLTBYIWRE-LBPRGKRZSA-N 2 1 282.392 -0.334 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCNC1=O ZINC000617502377 356139828 /nfs/dbraw/zinc/13/98/28/356139828.db2.gz NDDXLZLSOSWDMP-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCNC1=O ZINC000617502377 356139831 /nfs/dbraw/zinc/13/98/31/356139831.db2.gz NDDXLZLSOSWDMP-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(=O)N(C)CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504020 356140026 /nfs/dbraw/zinc/14/00/26/356140026.db2.gz FMENJTOGOGXHFZ-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC(=O)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504020 356140027 /nfs/dbraw/zinc/14/00/27/356140027.db2.gz FMENJTOGOGXHFZ-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP C[C@H](CC(N)=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617508230 356140464 /nfs/dbraw/zinc/14/04/64/356140464.db2.gz YUPYTECDWOIJJK-NEPJUHHUSA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@H](CC(N)=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617508230 356140466 /nfs/dbraw/zinc/14/04/66/356140466.db2.gz YUPYTECDWOIJJK-NEPJUHHUSA-N 2 1 286.420 -0.114 20 0 CBADMP CCN(C(=O)[C@H]1C[NH+]2CCN1CCC2)[C@H]1CC[N@@H+](C)C1 ZINC000617553681 356142296 /nfs/dbraw/zinc/14/22/96/356142296.db2.gz NXZJSFVEYOIWHC-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP CCN(C(=O)[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1CC[NH+](C)C1 ZINC000617553681 356142301 /nfs/dbraw/zinc/14/23/01/356142301.db2.gz NXZJSFVEYOIWHC-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP CCN(C(=O)[C@H]1C[N@H+]2CCN1CCC2)[C@H]1CC[NH+](C)C1 ZINC000617553681 356142305 /nfs/dbraw/zinc/14/23/05/356142305.db2.gz NXZJSFVEYOIWHC-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000618305867 356185767 /nfs/dbraw/zinc/18/57/67/356185767.db2.gz KGGNGEORBXYYHT-LBPRGKRZSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000618308378 356186656 /nfs/dbraw/zinc/18/66/56/356186656.db2.gz IIKZNVXYQBKSHO-ZDUSSCGKSA-N 2 1 298.431 -0.193 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621699006 356281767 /nfs/dbraw/zinc/28/17/67/356281767.db2.gz JXZAUKGLGMOAMX-HNCHTBHHSA-N 2 1 253.346 -0.297 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000620482988 356244409 /nfs/dbraw/zinc/24/44/09/356244409.db2.gz WKUCQCRQXJVYGA-KBPBESRZSA-N 2 1 297.399 -0.625 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000620482988 356244411 /nfs/dbraw/zinc/24/44/11/356244411.db2.gz WKUCQCRQXJVYGA-KBPBESRZSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000620482988 356244413 /nfs/dbraw/zinc/24/44/13/356244413.db2.gz WKUCQCRQXJVYGA-KBPBESRZSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000620482988 356244415 /nfs/dbraw/zinc/24/44/15/356244415.db2.gz WKUCQCRQXJVYGA-KBPBESRZSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CO)CC1 ZINC000622325099 356315318 /nfs/dbraw/zinc/31/53/18/356315318.db2.gz NJNUTMANFSSRPA-UHFFFAOYSA-N 2 1 250.302 -0.236 20 0 CBADMP C[C@H](CNc1nc(N)[nH+]c(N)n1)[N@H+]1CCc2ccccc2C1 ZINC000623845486 356378835 /nfs/dbraw/zinc/37/88/35/356378835.db2.gz FZVCOKSGDDNNHG-SNVBAGLBSA-N 2 1 299.382 -0.023 20 0 CBADMP C[N@@H+](CCNc1nc(N)[nH+]c(N)n1)C1CCCCC1 ZINC000623895192 356381184 /nfs/dbraw/zinc/38/11/84/356381184.db2.gz LBNOKAXSSFVUMA-UHFFFAOYSA-N 2 1 265.365 -0.205 20 0 CBADMP CC(C)[NH2+]C1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000623932587 356383612 /nfs/dbraw/zinc/38/36/12/356383612.db2.gz UQCAFRIAJFTOGD-UHFFFAOYSA-N 2 1 251.338 -0.336 20 0 CBADMP C[C@@H](Nc1nc(N)nc(N)[nH+]1)C(C)(C)C[NH+](C)C ZINC000623994240 356386883 /nfs/dbraw/zinc/38/68/83/356386883.db2.gz SZJGEXDIMILSAQ-SSDOTTSWSA-N 2 1 253.354 -0.493 20 0 CBADMP Nc1nc(N)[nH+]c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000623981582 356386925 /nfs/dbraw/zinc/38/69/25/356386925.db2.gz KDMLUCVRZGGZRD-VIFPVBQESA-N 2 1 293.375 -0.969 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(c3nc(N)[nH+]c(N)n3)CC[C@@H]21 ZINC000624041340 356391600 /nfs/dbraw/zinc/39/16/00/356391600.db2.gz QVLGEOHPLKISNG-BDAKNGLRSA-N 2 1 263.349 -0.383 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000624157998 356400751 /nfs/dbraw/zinc/40/07/51/356400751.db2.gz JCNZAPQFAMOOGE-MRVPVSSYSA-N 2 1 251.338 -0.383 20 0 CBADMP Nc1nc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)nc(N)[nH+]1 ZINC000624375464 356415308 /nfs/dbraw/zinc/41/53/08/356415308.db2.gz QQNKDVMLDVIJKJ-RKDXNWHRSA-N 2 1 263.349 -0.453 20 0 CBADMP Nc1nc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)nc(N)[nH+]1 ZINC000624411318 356420582 /nfs/dbraw/zinc/42/05/82/356420582.db2.gz DTWOFSHDIRNGTR-JTQLQIEISA-N 2 1 277.376 -0.347 20 0 CBADMP Nc1nc(N)[nH+]c(NC[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000624411318 356420587 /nfs/dbraw/zinc/42/05/87/356420587.db2.gz DTWOFSHDIRNGTR-JTQLQIEISA-N 2 1 277.376 -0.347 20 0 CBADMP Nc1nc(N)[nH+]c(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000624411318 356420590 /nfs/dbraw/zinc/42/05/90/356420590.db2.gz DTWOFSHDIRNGTR-JTQLQIEISA-N 2 1 277.376 -0.347 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000624168632 356401827 /nfs/dbraw/zinc/40/18/27/356401827.db2.gz CFHHZHOSMAIQSZ-MRVPVSSYSA-N 2 1 265.365 -0.349 20 0 CBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000423415423 283161047 /nfs/dbraw/zinc/16/10/47/283161047.db2.gz AMVFXYNIZOZUBB-OLZOCXBDSA-N 2 1 294.399 -0.639 20 0 CBADMP Nc1nc(N)[nH+]c(NC2CC[NH+](C3CCC3)CC2)n1 ZINC000624260443 356408849 /nfs/dbraw/zinc/40/88/49/356408849.db2.gz NJMSAIUJCSGDBB-UHFFFAOYSA-N 2 1 263.349 -0.453 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419758450 283165797 /nfs/dbraw/zinc/16/57/97/283165797.db2.gz FAJVWEGIKVJTCX-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H]1C[C@@H](O)C1 ZINC000626046507 356504026 /nfs/dbraw/zinc/50/40/26/356504026.db2.gz GOUXGWSRVYJKKV-BETUJISGSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H]1C[C@@H](O)C1 ZINC000626046507 356504029 /nfs/dbraw/zinc/50/40/29/356504029.db2.gz GOUXGWSRVYJKKV-BETUJISGSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039631 356504165 /nfs/dbraw/zinc/50/41/65/356504165.db2.gz JHQNDTGSXVIICC-ADEWGFFLSA-N 2 1 255.362 -0.363 20 0 CBADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039631 356504169 /nfs/dbraw/zinc/50/41/69/356504169.db2.gz JHQNDTGSXVIICC-ADEWGFFLSA-N 2 1 255.362 -0.363 20 0 CBADMP C[NH+](C[C@@H](O)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1)C1CC1 ZINC000626039631 356504171 /nfs/dbraw/zinc/50/41/71/356504171.db2.gz JHQNDTGSXVIICC-ADEWGFFLSA-N 2 1 255.362 -0.363 20 0 CBADMP C[NH+](C[C@@H](O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1)C1CC1 ZINC000626039631 356504174 /nfs/dbraw/zinc/50/41/74/356504174.db2.gz JHQNDTGSXVIICC-ADEWGFFLSA-N 2 1 255.362 -0.363 20 0 CBADMP C[C@H]1OCC[C@@H]1[N@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000328737976 202033234 /nfs/dbraw/zinc/03/32/34/202033234.db2.gz KNKZBZAPKFPUQJ-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H]1OCC[C@@H]1[N@@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000328737976 202033238 /nfs/dbraw/zinc/03/32/38/202033238.db2.gz KNKZBZAPKFPUQJ-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626975618 356561558 /nfs/dbraw/zinc/56/15/58/356561558.db2.gz XVWNNMGKPPBWKM-GFCCVEGCSA-N 2 1 297.403 -0.800 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000626974091 356561676 /nfs/dbraw/zinc/56/16/76/356561676.db2.gz DBHXKNCKVBZAQL-QJPTWQEYSA-N 2 1 269.393 -0.718 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626975527 356561715 /nfs/dbraw/zinc/56/17/15/356561715.db2.gz VYUIRUOMNXIYRL-VXGBXAGGSA-N 2 1 270.377 -0.242 20 0 CBADMP C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC000627003619 356565904 /nfs/dbraw/zinc/56/59/04/356565904.db2.gz RYDQDIBDSPPNPC-MXWKQRLJSA-N 2 1 256.350 -0.633 20 0 CBADMP C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000627003619 356565908 /nfs/dbraw/zinc/56/59/08/356565908.db2.gz RYDQDIBDSPPNPC-MXWKQRLJSA-N 2 1 256.350 -0.633 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCC1CC[NH2+]CC1 ZINC000627068829 356572400 /nfs/dbraw/zinc/57/24/00/356572400.db2.gz OFMZFCWXBPKZKV-GFCCVEGCSA-N 2 1 270.377 -0.648 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCC1CC[NH2+]CC1 ZINC000627068830 356572506 /nfs/dbraw/zinc/57/25/06/356572506.db2.gz OFMZFCWXBPKZKV-LBPRGKRZSA-N 2 1 270.377 -0.648 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000626982958 356563080 /nfs/dbraw/zinc/56/30/80/356563080.db2.gz XJQWQXRIPOZEAQ-GHMZBOCLSA-N 2 1 256.350 -0.632 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000627158799 356591173 /nfs/dbraw/zinc/59/11/73/356591173.db2.gz DWWSJRIQGOAEPK-FRRDWIJNSA-N 2 1 284.404 -0.165 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000627158799 356591176 /nfs/dbraw/zinc/59/11/76/356591176.db2.gz DWWSJRIQGOAEPK-FRRDWIJNSA-N 2 1 284.404 -0.165 20 0 CBADMP C[NH2+]CCOCCNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000627170909 356592196 /nfs/dbraw/zinc/59/21/96/356592196.db2.gz KVSRIVOMIDTWQV-LBPRGKRZSA-N 2 1 276.356 -0.435 20 0 CBADMP C[NH2+]CCOCCNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000627173656 356593996 /nfs/dbraw/zinc/59/39/96/356593996.db2.gz CLPGPWXWEMRYQH-UHFFFAOYSA-N 2 1 270.377 -0.217 20 0 CBADMP C[C@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC000627070438 356573743 /nfs/dbraw/zinc/57/37/43/356573743.db2.gz URYLMNZAZLQEDD-XQQFMLRXSA-N 2 1 284.404 -0.260 20 0 CBADMP CCC[NH2+]CCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627081975 356577291 /nfs/dbraw/zinc/57/72/91/356577291.db2.gz YJFJUTDITSRYNL-NSHDSACASA-N 2 1 258.366 -0.648 20 0 CBADMP [NH3+][C@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000627082568 356577375 /nfs/dbraw/zinc/57/73/75/356577375.db2.gz HJRIWKQEDKWRBA-GHMZBOCLSA-N 2 1 256.350 -0.911 20 0 CBADMP CCC([NH3+])(CC)CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627081480 356577645 /nfs/dbraw/zinc/57/76/45/356577645.db2.gz ZAVLBUNVWSFVDO-NSHDSACASA-N 2 1 272.393 -0.130 20 0 CBADMP CC1(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)CC[NH2+]CC1 ZINC000627084321 356578268 /nfs/dbraw/zinc/57/82/68/356578268.db2.gz SDDJHFYPDAKGQI-LBPRGKRZSA-N 2 1 284.404 -0.258 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627084361 356578503 /nfs/dbraw/zinc/57/85/03/356578503.db2.gz HPWBRUWAKCUNNX-UHFFFAOYSA-N 2 1 266.292 -0.613 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627090670 356581705 /nfs/dbraw/zinc/58/17/05/356581705.db2.gz YXBPSWVGIDVUNI-MNOVXSKESA-N 2 1 258.366 -0.650 20 0 CBADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000627103056 356583684 /nfs/dbraw/zinc/58/36/84/356583684.db2.gz XWZKPBWHVCBKOJ-IJLUTSLNSA-N 2 1 270.377 -0.520 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627117689 356586269 /nfs/dbraw/zinc/58/62/69/356586269.db2.gz VXGNXNCMJPLWOT-RYUDHWBXSA-N 2 1 270.377 -0.242 20 0 CBADMP CC(C)[C@H]([NH3+])CCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627115492 356586327 /nfs/dbraw/zinc/58/63/27/356586327.db2.gz AEACPCXGPQXQRA-VXGBXAGGSA-N 2 1 272.393 -0.274 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627218253 356608310 /nfs/dbraw/zinc/60/83/10/356608310.db2.gz PZZPZEHDFGPZBW-LBPRGKRZSA-N 2 1 288.392 -0.940 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCOCCC[NH3+] ZINC000627220039 356608861 /nfs/dbraw/zinc/60/88/61/356608861.db2.gz MSEPPSPLWOFKQX-LBPRGKRZSA-N 2 1 288.392 -0.940 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCOCCC[NH3+] ZINC000627220039 356608866 /nfs/dbraw/zinc/60/88/66/356608866.db2.gz MSEPPSPLWOFKQX-LBPRGKRZSA-N 2 1 288.392 -0.940 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000627226508 356609859 /nfs/dbraw/zinc/60/98/59/356609859.db2.gz MJIROZUILFDCIQ-NWDGAFQWSA-N 2 1 270.377 -0.160 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000627246333 356611470 /nfs/dbraw/zinc/61/14/70/356611470.db2.gz REEYSJMVMOSWRD-SDDRHHMPSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000627246333 356611471 /nfs/dbraw/zinc/61/14/71/356611471.db2.gz REEYSJMVMOSWRD-SDDRHHMPSA-N 2 1 270.377 -0.555 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627249469 356612225 /nfs/dbraw/zinc/61/22/25/356612225.db2.gz MLDNBAGYXULXLG-GFCCVEGCSA-N 2 1 297.403 -0.846 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627249842 356613016 /nfs/dbraw/zinc/61/30/16/356613016.db2.gz IIHPNLRIVNJHIW-CYBMUJFWSA-N 2 1 283.420 -0.373 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000627260511 356615736 /nfs/dbraw/zinc/61/57/36/356615736.db2.gz JSJDWLLVTVFQOS-YNEHKIRRSA-N 2 1 269.389 -0.006 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)[NH+](C)C ZINC000627260510 356615883 /nfs/dbraw/zinc/61/58/83/356615883.db2.gz JSJDWLLVTVFQOS-RWMBFGLXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C[NH2+]1 ZINC000627207732 356605092 /nfs/dbraw/zinc/60/50/92/356605092.db2.gz DELPIAAWEXTADZ-SDDRHHMPSA-N 2 1 270.377 -0.507 20 0 CBADMP C[C@H]1CC[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627210903 356606098 /nfs/dbraw/zinc/60/60/98/356606098.db2.gz XNEXIRVCYPSOJE-QNWHQSFQSA-N 2 1 282.388 -0.413 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000627364937 356632311 /nfs/dbraw/zinc/63/23/11/356632311.db2.gz ARMSZQDLURAFNM-QWHCGFSZSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000627372884 356634995 /nfs/dbraw/zinc/63/49/95/356634995.db2.gz ZHTKTGXSQWGNLR-WCFLWFBJSA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000627378049 356635141 /nfs/dbraw/zinc/63/51/41/356635141.db2.gz ATUSVMAMFAVFIP-GMXVVIOVSA-N 2 1 294.399 -0.547 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000627290045 356621129 /nfs/dbraw/zinc/62/11/29/356621129.db2.gz CAKVIBUGLYWHEG-NSHDSACASA-N 2 1 296.371 -0.194 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000627378676 356635328 /nfs/dbraw/zinc/63/53/28/356635328.db2.gz QWMOLVANNMJNOU-WUHRBBMRSA-N 2 1 294.399 -0.404 20 0 CBADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000627319139 356625763 /nfs/dbraw/zinc/62/57/63/356625763.db2.gz KVBBVGJZCHAFQI-CYBMUJFWSA-N 2 1 296.415 -0.347 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000627425239 356644847 /nfs/dbraw/zinc/64/48/47/356644847.db2.gz IZEVYQFQXKHYLK-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627428961 356645781 /nfs/dbraw/zinc/64/57/81/356645781.db2.gz TWGPGXVXDZJOKC-AGIUHOORSA-N 2 1 296.415 -0.156 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000627378972 356636319 /nfs/dbraw/zinc/63/63/19/356636319.db2.gz ZHRBWTVMSQSPEM-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414672383 291114369 /nfs/dbraw/zinc/11/43/69/291114369.db2.gz PASPQWFEJQCKHV-QJPTWQEYSA-N 2 1 283.372 -0.262 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414672383 291114373 /nfs/dbraw/zinc/11/43/73/291114373.db2.gz PASPQWFEJQCKHV-QJPTWQEYSA-N 2 1 283.372 -0.262 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000627501425 356658779 /nfs/dbraw/zinc/65/87/79/356658779.db2.gz JUGQVPVFVAKTHR-QNWHQSFQSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000627503437 356659834 /nfs/dbraw/zinc/65/98/34/356659834.db2.gz MHYXEKSJUWJMMP-GARJFASQSA-N 2 1 268.361 -0.937 20 0 CBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627504126 356659995 /nfs/dbraw/zinc/65/99/95/356659995.db2.gz WTZBHCZQZJRXMY-UPJWGTAASA-N 2 1 294.399 -0.593 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627504265 356660076 /nfs/dbraw/zinc/66/00/76/356660076.db2.gz FYGOPRUOYFEYIN-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC000373358305 283210521 /nfs/dbraw/zinc/21/05/21/283210521.db2.gz JEOZPUMUECRJQS-GRYCIOLGSA-N 2 1 253.346 -0.663 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC000373358305 283210523 /nfs/dbraw/zinc/21/05/23/283210523.db2.gz JEOZPUMUECRJQS-GRYCIOLGSA-N 2 1 253.346 -0.663 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC000373358305 283210524 /nfs/dbraw/zinc/21/05/24/283210524.db2.gz JEOZPUMUECRJQS-GRYCIOLGSA-N 2 1 253.346 -0.663 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC000373358305 283210525 /nfs/dbraw/zinc/21/05/25/283210525.db2.gz JEOZPUMUECRJQS-GRYCIOLGSA-N 2 1 253.346 -0.663 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000627921655 356680821 /nfs/dbraw/zinc/68/08/21/356680821.db2.gz IBMIAABXYMOMDF-LBPRGKRZSA-N 2 1 293.371 -0.230 20 0 CBADMP C[NH+](C)CCCCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629173112 356752487 /nfs/dbraw/zinc/75/24/87/356752487.db2.gz DATGKJAMNWYJRC-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)NC[C@H]1CCCO1 ZINC000629570813 356780548 /nfs/dbraw/zinc/78/05/48/356780548.db2.gz MXHOBZMTVYGMSZ-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)NC[C@H]1CCCO1 ZINC000629570813 356780550 /nfs/dbraw/zinc/78/05/50/356780550.db2.gz MXHOBZMTVYGMSZ-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CCS(=O)(=O)N(C)C ZINC000629571703 356780584 /nfs/dbraw/zinc/78/05/84/356780584.db2.gz HRPAKAJBLYZRHJ-UHFFFAOYSA-N 2 1 267.395 -0.954 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CCS(=O)(=O)N(C)C ZINC000629571703 356780586 /nfs/dbraw/zinc/78/05/86/356780586.db2.gz HRPAKAJBLYZRHJ-UHFFFAOYSA-N 2 1 267.395 -0.954 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000629572460 356780786 /nfs/dbraw/zinc/78/07/86/356780786.db2.gz UAHGLJICFWWTFF-UHFFFAOYSA-N 2 1 286.420 -0.682 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000629572460 356780788 /nfs/dbraw/zinc/78/07/88/356780788.db2.gz UAHGLJICFWWTFF-UHFFFAOYSA-N 3 1 286.420 -0.682 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000629572460 356780791 /nfs/dbraw/zinc/78/07/91/356780791.db2.gz UAHGLJICFWWTFF-UHFFFAOYSA-N 3 1 286.420 -0.682 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000629798884 356795656 /nfs/dbraw/zinc/79/56/56/356795656.db2.gz MIIHWTVHELLFME-LBPRGKRZSA-N 2 1 284.404 -0.408 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000629798884 356795661 /nfs/dbraw/zinc/79/56/61/356795661.db2.gz MIIHWTVHELLFME-LBPRGKRZSA-N 2 1 284.404 -0.408 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000629801583 356796626 /nfs/dbraw/zinc/79/66/26/356796626.db2.gz AUBGGPMPBHYBSM-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000629917409 356809130 /nfs/dbraw/zinc/80/91/30/356809130.db2.gz XSVAAEWZLACOET-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000629917409 356809131 /nfs/dbraw/zinc/80/91/31/356809131.db2.gz XSVAAEWZLACOET-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000629917409 356809133 /nfs/dbraw/zinc/80/91/33/356809133.db2.gz XSVAAEWZLACOET-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC000629993518 356814780 /nfs/dbraw/zinc/81/47/80/356814780.db2.gz DAXRIDFTCAVJRN-RYUDHWBXSA-N 2 1 255.362 -0.396 20 0 CBADMP C[N@@H+](CC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)C1CCC1 ZINC000630022345 356818760 /nfs/dbraw/zinc/81/87/60/356818760.db2.gz DWHAHRIAZCRDSI-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C1CCC1 ZINC000630022345 356818761 /nfs/dbraw/zinc/81/87/61/356818761.db2.gz DWHAHRIAZCRDSI-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)C1CCC1 ZINC000630022345 356818763 /nfs/dbraw/zinc/81/87/63/356818763.db2.gz DWHAHRIAZCRDSI-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH+]1CC[C@@H](O)C1)C1CCC1 ZINC000630026424 356819156 /nfs/dbraw/zinc/81/91/56/356819156.db2.gz NQYMSOBBQLWWEC-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](CC(=O)NCC[N@@H+]1CC[C@@H](O)C1)C1CCC1 ZINC000630026424 356819161 /nfs/dbraw/zinc/81/91/61/356819161.db2.gz NQYMSOBBQLWWEC-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](CC(=O)NCC[N@H+]1CC[C@@H](O)C1)C1CCC1 ZINC000630026424 356819166 /nfs/dbraw/zinc/81/91/66/356819166.db2.gz NQYMSOBBQLWWEC-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629579226 356783010 /nfs/dbraw/zinc/78/30/10/356783010.db2.gz CDFSQDIMXIXTKP-VXGBXAGGSA-N 2 1 293.433 -0.640 20 0 CBADMP C[N@@H+](CCOCC[NH3+])CCN1C(=O)NC(C)(C)C1=O ZINC000629579039 356783094 /nfs/dbraw/zinc/78/30/94/356783094.db2.gz PAHNHONXXWBDMC-UHFFFAOYSA-N 2 1 272.349 -0.776 20 0 CBADMP OCC[N@H+]1CCCC[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629585037 356783938 /nfs/dbraw/zinc/78/39/38/356783938.db2.gz YKCIRKOJKCHCDY-LSDHHAIUSA-N 2 1 285.432 -0.121 20 0 CBADMP OCCC[N@H+]1CCC[C@@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629584409 356784077 /nfs/dbraw/zinc/78/40/77/356784077.db2.gz QJERRWPHOFJNQC-CABCVRRESA-N 2 1 285.432 -0.121 20 0 CBADMP O[C@H](CNCC[N@H+]1CC[C@@H](O)C1)C[NH+]1CCCC1 ZINC000629606762 356786046 /nfs/dbraw/zinc/78/60/46/356786046.db2.gz MHMUBMLGJGHFEO-CHWSQXEVSA-N 2 1 257.378 -0.901 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CCC[N@H+]1C ZINC000631800026 356907748 /nfs/dbraw/zinc/90/77/48/356907748.db2.gz PDXZQRLXBPQDMY-LLVKDONJSA-N 2 1 263.407 -0.048 20 0 CBADMP CS(=O)(=O)N[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000631867338 356914810 /nfs/dbraw/zinc/91/48/10/356914810.db2.gz QWWJICQMYBOJLC-VXGBXAGGSA-N 2 1 275.418 0.000 20 0 CBADMP CS(=O)(=O)N[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000631867337 356914857 /nfs/dbraw/zinc/91/48/57/356914857.db2.gz QWWJICQMYBOJLC-RYUDHWBXSA-N 2 1 275.418 0.000 20 0 CBADMP O=C1CNC(=O)N1CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886493 356916709 /nfs/dbraw/zinc/91/67/09/356916709.db2.gz IGAWAITVFCPZMP-WDEREUQCSA-N 2 1 266.345 -0.388 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886493 356916710 /nfs/dbraw/zinc/91/67/10/356916710.db2.gz IGAWAITVFCPZMP-WDEREUQCSA-N 2 1 266.345 -0.388 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000631900402 356917184 /nfs/dbraw/zinc/91/71/84/356917184.db2.gz RCUZNXMGIXPMNO-JTQLQIEISA-N 2 1 261.391 -0.167 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000631903444 356919959 /nfs/dbraw/zinc/91/99/59/356919959.db2.gz IZJFLZCXHSCHCY-NSHDSACASA-N 2 1 275.418 0.000 20 0 CBADMP CC(C)[C@@H]([NH3+])CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631905392 356920720 /nfs/dbraw/zinc/92/07/20/356920720.db2.gz LVPLPGQBXPWAKD-JTQLQIEISA-N 2 1 263.407 -0.017 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CCO1 ZINC000631907281 356921155 /nfs/dbraw/zinc/92/11/55/356921155.db2.gz IBVOFYXXUIEVNC-GHMZBOCLSA-N 2 1 291.417 -0.542 20 0 CBADMP CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631934069 356927058 /nfs/dbraw/zinc/92/70/58/356927058.db2.gz ZQJITRCUDARMBD-NEPJUHHUSA-N 2 1 291.417 -0.622 20 0 CBADMP CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631934072 356927238 /nfs/dbraw/zinc/92/72/38/356927238.db2.gz ZQJITRCUDARMBD-VXGBXAGGSA-N 2 1 291.417 -0.622 20 0 CBADMP CCC[C@H]1C[NH2+]CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631934070 356927343 /nfs/dbraw/zinc/92/73/43/356927343.db2.gz ZQJITRCUDARMBD-NWDGAFQWSA-N 2 1 291.417 -0.622 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000631936725 356928073 /nfs/dbraw/zinc/92/80/73/356928073.db2.gz KBDBIZFDFJFEKP-VXGBXAGGSA-N 2 1 291.417 -0.669 20 0 CBADMP C[NH2+]CCCN(C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631944534 356930759 /nfs/dbraw/zinc/93/07/59/356930759.db2.gz AANMAJMIKXZYDV-UHFFFAOYSA-N 2 1 263.407 -0.048 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC000631956010 356934906 /nfs/dbraw/zinc/93/49/06/356934906.db2.gz ROCIQQOMHAGDIK-UHFFFAOYSA-N 2 1 291.417 -0.492 20 0 CBADMP CN(CCOCC[NH3+])S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631956404 356935028 /nfs/dbraw/zinc/93/50/28/356935028.db2.gz VROXQRLHIYXKRC-UHFFFAOYSA-N 2 1 279.406 -0.683 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NCCOCCC[NH3+])CC1 ZINC000631955865 356935057 /nfs/dbraw/zinc/93/50/57/356935057.db2.gz QQKNULFABNAAFE-UHFFFAOYSA-N 2 1 279.406 -0.635 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000632360179 356977362 /nfs/dbraw/zinc/97/73/62/356977362.db2.gz RYCUXWMWHPWUEI-RYUDHWBXSA-N 2 1 275.418 -0.096 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)CC[N@H+]1C ZINC000633072543 357039493 /nfs/dbraw/zinc/03/94/93/357039493.db2.gz PFANPNNLFFMZEZ-SDDRHHMPSA-N 2 1 257.378 -0.245 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633076337 357039954 /nfs/dbraw/zinc/03/99/54/357039954.db2.gz ICMARUCXCBKVNU-STQMWFEESA-N 2 1 294.399 -0.641 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000633079653 357041119 /nfs/dbraw/zinc/04/11/19/357041119.db2.gz YUBUHWFNRXNRGX-CHWSQXEVSA-N 2 1 296.415 -0.406 20 0 CBADMP 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 357044723 /nfs/dbraw/zinc/04/47/23/357044723.db2.gz XLGHTZLCOAMJGT-CYDGBPFRSA-N 2 1 294.399 -0.642 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000633113310 357048313 /nfs/dbraw/zinc/04/83/13/357048313.db2.gz MFBPWDIWIZQHEV-CHWSQXEVSA-N 2 1 296.415 -0.408 20 0 CBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C2)C1 ZINC000633115045 357048851 /nfs/dbraw/zinc/04/88/51/357048851.db2.gz LPZZJGMSIAISHL-SLEUVZQESA-N 2 1 292.383 -0.887 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000633117093 357050229 /nfs/dbraw/zinc/05/02/29/357050229.db2.gz ZAXYSLLJPMUJAT-YPMHNXCESA-N 2 1 294.399 -0.511 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC[N@@H+]1C ZINC000633139898 357052314 /nfs/dbraw/zinc/05/23/14/357052314.db2.gz IHSKCZDKVUFGEN-XQQFMLRXSA-N 2 1 296.415 -0.267 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC[N@H+]1C ZINC000633139898 357052318 /nfs/dbraw/zinc/05/23/18/357052318.db2.gz IHSKCZDKVUFGEN-XQQFMLRXSA-N 2 1 296.415 -0.267 20 0 CBADMP CC(C)[C@H]1CN(C(=O)c2cn(CC[NH3+])nn2)CC[N@H+]1C ZINC000634300509 357115337 /nfs/dbraw/zinc/11/53/37/357115337.db2.gz ASSJWYPZDBBTNJ-GFCCVEGCSA-N 2 1 280.376 -0.351 20 0 CBADMP C[C@@H](C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2)N1CC[NH+](C)CC1 ZINC000634768354 357133975 /nfs/dbraw/zinc/13/39/75/357133975.db2.gz GQAYEDUAGJJXMB-GUTXKFCHSA-N 2 1 280.416 -0.119 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1C[NH3+] ZINC000634999387 357141970 /nfs/dbraw/zinc/14/19/70/357141970.db2.gz TYXCNVXCVXPDTH-FRRDWIJNSA-N 3 1 268.405 -0.290 20 0 CBADMP COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000635530845 357172622 /nfs/dbraw/zinc/17/26/22/357172622.db2.gz KWFUXDSSLACWLF-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000635530845 357172624 /nfs/dbraw/zinc/17/26/24/357172624.db2.gz KWFUXDSSLACWLF-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000635530845 357172630 /nfs/dbraw/zinc/17/26/30/357172630.db2.gz KWFUXDSSLACWLF-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000635530845 357172633 /nfs/dbraw/zinc/17/26/33/357172633.db2.gz KWFUXDSSLACWLF-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP C[NH+](C)CC(=O)N1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635262732 357155170 /nfs/dbraw/zinc/15/51/70/357155170.db2.gz AFAAEFNCDMSQLV-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(N)=O ZINC000635466403 357166422 /nfs/dbraw/zinc/16/64/22/357166422.db2.gz VRAZLKNLMYWRLL-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP C[C@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC000635489912 357168143 /nfs/dbraw/zinc/16/81/43/357168143.db2.gz ZPUKMBUOEYOUHX-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635517479 357170899 /nfs/dbraw/zinc/17/08/99/357170899.db2.gz PYQRSCAORAOFTA-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635517479 357170901 /nfs/dbraw/zinc/17/09/01/357170901.db2.gz PYQRSCAORAOFTA-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP O=C(CC[N@H+]1C[C@@H]2COC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000634687911 357127269 /nfs/dbraw/zinc/12/72/69/357127269.db2.gz CORJILQSTCSGCJ-TXEJJXNPSA-N 2 1 253.346 -0.614 20 0 CBADMP C[C@@](O)(CO)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719838 357129004 /nfs/dbraw/zinc/12/90/04/357129004.db2.gz AIEJRTRGRALUPN-HOTGVXAUSA-N 2 1 294.395 -0.044 20 0 CBADMP C[C@@](O)(CO)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719838 357129009 /nfs/dbraw/zinc/12/90/09/357129009.db2.gz AIEJRTRGRALUPN-HOTGVXAUSA-N 2 1 294.395 -0.044 20 0 CBADMP C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC000635704534 357194704 /nfs/dbraw/zinc/19/47/04/357194704.db2.gz WAGPRNNMTKBYKN-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000635801218 357210008 /nfs/dbraw/zinc/21/00/08/357210008.db2.gz HHLNZCGMWCJLMR-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000635801218 357210010 /nfs/dbraw/zinc/21/00/10/357210010.db2.gz HHLNZCGMWCJLMR-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000635801218 357210012 /nfs/dbraw/zinc/21/00/12/357210012.db2.gz HHLNZCGMWCJLMR-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000635801220 357210306 /nfs/dbraw/zinc/21/03/06/357210306.db2.gz HHLNZCGMWCJLMR-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000635801220 357210311 /nfs/dbraw/zinc/21/03/11/357210311.db2.gz HHLNZCGMWCJLMR-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000635801220 357210314 /nfs/dbraw/zinc/21/03/14/357210314.db2.gz HHLNZCGMWCJLMR-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000635900878 357228252 /nfs/dbraw/zinc/22/82/52/357228252.db2.gz YOLDYDSPPXVUOH-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000635900878 357228256 /nfs/dbraw/zinc/22/82/56/357228256.db2.gz YOLDYDSPPXVUOH-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000635900878 357228261 /nfs/dbraw/zinc/22/82/61/357228261.db2.gz YOLDYDSPPXVUOH-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000635555854 357176795 /nfs/dbraw/zinc/17/67/95/357176795.db2.gz KTLYTWMNJPNJPP-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000635555854 357176797 /nfs/dbraw/zinc/17/67/97/357176797.db2.gz KTLYTWMNJPNJPP-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636606982 357292281 /nfs/dbraw/zinc/29/22/81/357292281.db2.gz LUZJPKFTOAPBSG-CYBMUJFWSA-N 2 1 295.387 -0.053 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636606982 357292284 /nfs/dbraw/zinc/29/22/84/357292284.db2.gz LUZJPKFTOAPBSG-CYBMUJFWSA-N 2 1 295.387 -0.053 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000636645213 357295917 /nfs/dbraw/zinc/29/59/17/357295917.db2.gz NSIRXJVMMQXLSI-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636645213 357295920 /nfs/dbraw/zinc/29/59/20/357295920.db2.gz NSIRXJVMMQXLSI-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636645213 357295924 /nfs/dbraw/zinc/29/59/24/357295924.db2.gz NSIRXJVMMQXLSI-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636687899 357296537 /nfs/dbraw/zinc/29/65/37/357296537.db2.gz CQWZAAUFNPVGNB-GFCCVEGCSA-N 2 1 281.360 -0.443 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636687899 357296539 /nfs/dbraw/zinc/29/65/39/357296539.db2.gz CQWZAAUFNPVGNB-GFCCVEGCSA-N 2 1 281.360 -0.443 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C[NH+]1C1CC1 ZINC000636907200 357310201 /nfs/dbraw/zinc/31/02/01/357310201.db2.gz LUXPAJSWVRIAQY-DYEKYZERSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@@H](C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1)[NH+](C)C ZINC000636009224 357248931 /nfs/dbraw/zinc/24/89/31/357248931.db2.gz XVDROPJENCJXGE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000636028582 357254406 /nfs/dbraw/zinc/25/44/06/357254406.db2.gz DCYDZMOSSQEILA-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000636028582 357254407 /nfs/dbraw/zinc/25/44/07/357254407.db2.gz DCYDZMOSSQEILA-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000636028582 357254408 /nfs/dbraw/zinc/25/44/08/357254408.db2.gz DCYDZMOSSQEILA-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000636028582 357254409 /nfs/dbraw/zinc/25/44/09/357254409.db2.gz DCYDZMOSSQEILA-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000636141377 357267282 /nfs/dbraw/zinc/26/72/82/357267282.db2.gz WOMRNVCWOVGHLM-NWDGAFQWSA-N 2 1 267.373 -0.394 20 0 CBADMP CN1CCOC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636278940 357275916 /nfs/dbraw/zinc/27/59/16/357275916.db2.gz CHVQUOZPLQDEQI-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636286820 357276794 /nfs/dbraw/zinc/27/67/94/357276794.db2.gz FLEBYIIYWMRGJI-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+](CC(=O)NCC(=O)N1CC[NH2+]CC1)CC(C)(C)C ZINC000637812985 357369992 /nfs/dbraw/zinc/36/99/92/357369992.db2.gz GXKISGDQIJWANV-UHFFFAOYSA-N 2 1 284.404 -0.488 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000637820115 357370418 /nfs/dbraw/zinc/37/04/18/357370418.db2.gz VWOLPXSZPIJJSL-GFCCVEGCSA-N 2 1 293.371 -0.495 20 0 CBADMP CN(C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CC[NH2+]C1 ZINC000637837324 357373970 /nfs/dbraw/zinc/37/39/70/357373970.db2.gz DIBHPZLUNYKSQP-SRVKXCTJSA-N 2 1 253.346 -0.330 20 0 CBADMP CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636912584 357311217 /nfs/dbraw/zinc/31/12/17/357311217.db2.gz KGWXIQCNNNCLRY-UPJWGTAASA-N 2 1 284.404 -0.308 20 0 CBADMP CC[NH+]1C[C@@H](C)[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000636912584 357311222 /nfs/dbraw/zinc/31/12/22/357311222.db2.gz KGWXIQCNNNCLRY-UPJWGTAASA-N 2 1 284.404 -0.308 20 0 CBADMP CC[NH+]1C[C@@H](C)[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000636912584 357311227 /nfs/dbraw/zinc/31/12/27/357311227.db2.gz KGWXIQCNNNCLRY-UPJWGTAASA-N 2 1 284.404 -0.308 20 0 CBADMP CCn1ccnc1CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000637187128 357328936 /nfs/dbraw/zinc/32/89/36/357328936.db2.gz LBBCPQQWKIUTIZ-LLVKDONJSA-N 2 1 281.360 -0.231 20 0 CBADMP CCn1ccnc1CNC(=O)NCCN1CC[C@@H](O)C1 ZINC000637187128 357328940 /nfs/dbraw/zinc/32/89/40/357328940.db2.gz LBBCPQQWKIUTIZ-LLVKDONJSA-N 2 1 281.360 -0.231 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC[NH2+]C1CC1 ZINC000637347640 357339362 /nfs/dbraw/zinc/33/93/62/357339362.db2.gz JEFCMUIGDVLTGS-LLVKDONJSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC[NH2+]C1CC1 ZINC000637347640 357339366 /nfs/dbraw/zinc/33/93/66/357339366.db2.gz JEFCMUIGDVLTGS-LLVKDONJSA-N 2 1 270.377 -0.554 20 0 CBADMP O=C(NCC[NH2+]C1CC1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000637347757 357339525 /nfs/dbraw/zinc/33/95/25/357339525.db2.gz KBBHLZJQYBCXJF-CYBMUJFWSA-N 2 1 284.404 -0.116 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC[NH2+]C1CC1 ZINC000637347641 357339701 /nfs/dbraw/zinc/33/97/01/357339701.db2.gz JEFCMUIGDVLTGS-NSHDSACASA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC[NH2+]C1CC1 ZINC000637347641 357339708 /nfs/dbraw/zinc/33/97/08/357339708.db2.gz JEFCMUIGDVLTGS-NSHDSACASA-N 2 1 270.377 -0.554 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000637379400 357341590 /nfs/dbraw/zinc/34/15/90/357341590.db2.gz OJSQGEKMUMIDPF-DGCLKSJQSA-N 2 1 282.388 -0.459 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000637379400 357341592 /nfs/dbraw/zinc/34/15/92/357341592.db2.gz OJSQGEKMUMIDPF-DGCLKSJQSA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000637379400 357341594 /nfs/dbraw/zinc/34/15/94/357341594.db2.gz OJSQGEKMUMIDPF-DGCLKSJQSA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000637379400 357341595 /nfs/dbraw/zinc/34/15/95/357341595.db2.gz OJSQGEKMUMIDPF-DGCLKSJQSA-N 2 1 282.388 -0.459 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCCCN1CC[NH2+]CC1 ZINC000637798035 357365137 /nfs/dbraw/zinc/36/51/37/357365137.db2.gz KCQQIJJQHJHNEH-UHFFFAOYSA-N 2 1 265.361 -0.397 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCC[NH3+] ZINC000637798427 357365543 /nfs/dbraw/zinc/36/55/43/357365543.db2.gz YAJHTIHKQVXLOT-GFCCVEGCSA-N 2 1 250.346 -0.479 20 0 CBADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NCC[NH3+] ZINC000637798427 357365548 /nfs/dbraw/zinc/36/55/48/357365548.db2.gz YAJHTIHKQVXLOT-GFCCVEGCSA-N 2 1 250.346 -0.479 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1 ZINC000637811493 357368713 /nfs/dbraw/zinc/36/87/13/357368713.db2.gz MFKOGCVFGJJSNJ-UONOGXRCSA-N 2 1 276.384 -0.076 20 0 CBADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000637811493 357368717 /nfs/dbraw/zinc/36/87/17/357368717.db2.gz MFKOGCVFGJJSNJ-UONOGXRCSA-N 2 1 276.384 -0.076 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638047600 357405018 /nfs/dbraw/zinc/40/50/18/357405018.db2.gz IHBFNHXBISWPLR-AAEUAGOBSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000638240273 357442067 /nfs/dbraw/zinc/44/20/67/357442067.db2.gz ICUKSNBRNGHDRS-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+](C)CCOC1CC[NH+](Cc2cnc(N)nc2N)CC1 ZINC000638061638 357407399 /nfs/dbraw/zinc/40/73/99/357407399.db2.gz JRLPBNKRRIHNLQ-UHFFFAOYSA-N 2 1 294.403 -0.156 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000638072272 357411010 /nfs/dbraw/zinc/41/10/10/357411010.db2.gz LWIKYDFWUQBYLY-MDZLAQPJSA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000638083508 357413717 /nfs/dbraw/zinc/41/37/17/357413717.db2.gz FWNHIVBYFJMFPO-MFKMUULPSA-N 2 1 253.346 -0.282 20 0 CBADMP C[C@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)C[NH+]1CCOCC1 ZINC000638089808 357414574 /nfs/dbraw/zinc/41/45/74/357414574.db2.gz DNNFBTKDDSSBPJ-UKRRQHHQSA-N 2 1 299.415 -0.174 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000638092334 357414732 /nfs/dbraw/zinc/41/47/32/357414732.db2.gz XAGSUYIPAOGDAJ-CQSZACIVSA-N 2 1 287.404 -0.161 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000638098002 357415910 /nfs/dbraw/zinc/41/59/10/357415910.db2.gz CIZQUTZHKUIURU-CYBMUJFWSA-N 2 1 284.404 -0.881 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)C1 ZINC000638098786 357417094 /nfs/dbraw/zinc/41/70/94/357417094.db2.gz CQDRVHOZIXMFFS-SGMGOOAPSA-N 2 1 285.388 -0.410 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638101832 357417170 /nfs/dbraw/zinc/41/71/70/357417170.db2.gz RETJVVIQMZDXJQ-VXGBXAGGSA-N 2 1 253.346 -0.129 20 0 CBADMP C[C@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000638102676 357418514 /nfs/dbraw/zinc/41/85/14/357418514.db2.gz VMUWLAXECJUINP-MFKMUULPSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@]1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[NH2+]CCO1 ZINC000638102657 357418530 /nfs/dbraw/zinc/41/85/30/357418530.db2.gz WHPNIRNFIJBBIY-GXTWGEPZSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)CC[N@H+]1C ZINC000638116150 357420814 /nfs/dbraw/zinc/42/08/14/357420814.db2.gz XLJZPSUKHRBTSE-NTZNESFSSA-N 2 1 255.362 -0.036 20 0 CBADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000638112626 357421136 /nfs/dbraw/zinc/42/11/36/357421136.db2.gz ZUANABRBJKRHDN-BXUZGUMPSA-N 2 1 295.387 -0.131 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)CN2CC[NH2+]CC2)CC[N@H+]1C ZINC000638124312 357422066 /nfs/dbraw/zinc/42/20/66/357422066.db2.gz SKXFZUJCGTWOOW-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[N@H+]1C1CC1 ZINC000638132258 357422491 /nfs/dbraw/zinc/42/24/91/357422491.db2.gz FXJJJCRNRYZQBD-LLHIFLOGSA-N 2 1 253.346 -0.156 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000638134944 357423824 /nfs/dbraw/zinc/42/38/24/357423824.db2.gz QNPMKKGYQCDZSC-VXGBXAGGSA-N 2 1 266.389 -0.367 20 0 CBADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCC[NH+]2CCN(C)CC2)C1 ZINC000638137257 357424069 /nfs/dbraw/zinc/42/40/69/357424069.db2.gz SKYPZQKZDWDHPJ-HIFRSBDPSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638135920 357424403 /nfs/dbraw/zinc/42/44/03/357424403.db2.gz VSVXWQXGJRKUQN-YPMHNXCESA-N 2 1 266.389 -0.510 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000638169883 357430645 /nfs/dbraw/zinc/43/06/45/357430645.db2.gz MXUORNVDHWLAOU-AAEUAGOBSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H](C[NH3+])NC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638171180 357431591 /nfs/dbraw/zinc/43/15/91/357431591.db2.gz PKICJPIUYPLKQQ-DGCLKSJQSA-N 2 1 264.373 -0.091 20 0 CBADMP C[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638171180 357431594 /nfs/dbraw/zinc/43/15/94/357431594.db2.gz PKICJPIUYPLKQQ-DGCLKSJQSA-N 2 1 264.373 -0.091 20 0 CBADMP COC[C@]1(C(=O)NCC(F)(F)C[NH3+])CCCC[NH2+]1 ZINC000638174727 357432086 /nfs/dbraw/zinc/43/20/86/357432086.db2.gz PULMEDJAHKECGX-JTQLQIEISA-N 2 1 265.304 -0.145 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638174052 357432548 /nfs/dbraw/zinc/43/25/48/357432548.db2.gz IAWLLEOUEFXASY-VIFPVBQESA-N 2 1 251.277 -0.548 20 0 CBADMP C[C@H]([NH3+])CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000638174226 357432608 /nfs/dbraw/zinc/43/26/08/357432608.db2.gz PCUDJIMCBCKMQK-WDEREUQCSA-N 2 1 268.361 -0.854 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)O1 ZINC000638200902 357434076 /nfs/dbraw/zinc/43/40/76/357434076.db2.gz KHOPLJSKKJHBAY-YVECIDJPSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)O1 ZINC000638200902 357434079 /nfs/dbraw/zinc/43/40/79/357434079.db2.gz KHOPLJSKKJHBAY-YVECIDJPSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@H]([NH3+])CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638210808 357434781 /nfs/dbraw/zinc/43/47/81/357434781.db2.gz KCLBCVCYNAHHMT-AAEUAGOBSA-N 2 1 264.373 -0.091 20 0 CBADMP C[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638210808 357434785 /nfs/dbraw/zinc/43/47/85/357434785.db2.gz KCLBCVCYNAHHMT-AAEUAGOBSA-N 2 1 264.373 -0.091 20 0 CBADMP O=C(CN1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000638214738 357436215 /nfs/dbraw/zinc/43/62/15/357436215.db2.gz CSMDTFLGCBNASN-CQSZACIVSA-N 2 1 289.383 -0.540 20 0 CBADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000638224842 357436996 /nfs/dbraw/zinc/43/69/96/357436996.db2.gz RAGPJENQEVGOJP-RHYQMDGZSA-N 2 1 273.352 -0.136 20 0 CBADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000638224842 357437001 /nfs/dbraw/zinc/43/70/01/357437001.db2.gz RAGPJENQEVGOJP-RHYQMDGZSA-N 2 1 273.352 -0.136 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)O1 ZINC000638226411 357437497 /nfs/dbraw/zinc/43/74/97/357437497.db2.gz GDLWZGGTVMVILE-RDBSUJKOSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)O1 ZINC000638226411 357437505 /nfs/dbraw/zinc/43/75/05/357437505.db2.gz GDLWZGGTVMVILE-RDBSUJKOSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)O1 ZINC000638249287 357443797 /nfs/dbraw/zinc/44/37/97/357443797.db2.gz WAUDUZGYQAEUMF-NAKRPEOUSA-N 2 1 259.325 -0.478 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)O1 ZINC000638249287 357443800 /nfs/dbraw/zinc/44/38/00/357443800.db2.gz WAUDUZGYQAEUMF-NAKRPEOUSA-N 2 1 259.325 -0.478 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000638572019 357495731 /nfs/dbraw/zinc/49/57/31/357495731.db2.gz DKLBANMYGJWVLV-QJPTWQEYSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000638572019 357495737 /nfs/dbraw/zinc/49/57/37/357495737.db2.gz DKLBANMYGJWVLV-QJPTWQEYSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CCOCC[NH2+]C)C1 ZINC000638592933 357499531 /nfs/dbraw/zinc/49/95/31/357499531.db2.gz WCNGMMWEVJTDJZ-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CCOCC[NH2+]C)C1 ZINC000638592933 357499532 /nfs/dbraw/zinc/49/95/32/357499532.db2.gz WCNGMMWEVJTDJZ-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000638266253 357446295 /nfs/dbraw/zinc/44/62/95/357446295.db2.gz PJODMBCHOSYMJQ-NSHDSACASA-N 2 1 252.318 -0.314 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CC[NH2+]CC2)C1 ZINC000638287099 357451959 /nfs/dbraw/zinc/45/19/59/357451959.db2.gz UAVJRYWGIUMBRG-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP CN(CC[NH3+])C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638343040 357460143 /nfs/dbraw/zinc/46/01/43/357460143.db2.gz JWZHZLLMEGXZNW-CYBMUJFWSA-N 2 1 264.373 -0.137 20 0 CBADMP O=C(CCC1C[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000638414422 357472081 /nfs/dbraw/zinc/47/20/81/357472081.db2.gz PQFQTLFIWCCFTK-CYBMUJFWSA-N 2 1 267.373 -0.081 20 0 CBADMP [NH3+]C[C@@]1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CCCOC1 ZINC000638423960 357472992 /nfs/dbraw/zinc/47/29/92/357472992.db2.gz CRQFZLWNCRHSNV-ZFWWWQNUSA-N 2 1 296.415 -0.752 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000638426605 357474017 /nfs/dbraw/zinc/47/40/17/357474017.db2.gz SNWJBHSGKSCUIA-KCQAQPDRSA-N 2 1 296.415 -0.741 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638425555 357474215 /nfs/dbraw/zinc/47/42/15/357474215.db2.gz NFWUJOHHOHOQEJ-DGCLKSJQSA-N 2 1 255.362 -0.035 20 0 CBADMP CCN(CC[NH3+])C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000638517394 357492955 /nfs/dbraw/zinc/49/29/55/357492955.db2.gz UNSVYBZHSYFZHR-SECBINFHSA-N 2 1 251.334 -0.093 20 0 CBADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000638536658 357493597 /nfs/dbraw/zinc/49/35/97/357493597.db2.gz RRFNEXPLKSGVJO-WZRBSPASSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2([NH3+])CCOCC2)O1 ZINC000638541531 357494397 /nfs/dbraw/zinc/49/43/97/357494397.db2.gz IRZMAJQBYSMARN-GHMZBOCLSA-N 2 1 271.361 -0.670 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2([NH3+])CCOCC2)O1 ZINC000638541531 357494400 /nfs/dbraw/zinc/49/44/00/357494400.db2.gz IRZMAJQBYSMARN-GHMZBOCLSA-N 2 1 271.361 -0.670 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638542086 357494560 /nfs/dbraw/zinc/49/45/60/357494560.db2.gz YOYAYZYQADIZIL-LLVKDONJSA-N 2 1 271.361 -0.669 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638542086 357494565 /nfs/dbraw/zinc/49/45/65/357494565.db2.gz YOYAYZYQADIZIL-LLVKDONJSA-N 2 1 271.361 -0.669 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000638633810 357513458 /nfs/dbraw/zinc/51/34/58/357513458.db2.gz HKVGBYQAHRVOLH-NSHDSACASA-N 2 1 271.361 -0.669 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000638633810 357513459 /nfs/dbraw/zinc/51/34/59/357513459.db2.gz HKVGBYQAHRVOLH-NSHDSACASA-N 2 1 271.361 -0.669 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCOCCC[NH3+])C1 ZINC000638660737 357517359 /nfs/dbraw/zinc/51/73/59/357517359.db2.gz IZSXJICXFYHZNB-LLVKDONJSA-N 2 1 259.350 -0.811 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCOCCC[NH3+])C1 ZINC000638660737 357517365 /nfs/dbraw/zinc/51/73/65/357517365.db2.gz IZSXJICXFYHZNB-LLVKDONJSA-N 2 1 259.350 -0.811 20 0 CBADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000638728446 357525629 /nfs/dbraw/zinc/52/56/29/357525629.db2.gz RRFNEXPLKSGVJO-LOWVWBTDSA-N 2 1 255.362 -0.036 20 0 CBADMP CC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000639527371 357576383 /nfs/dbraw/zinc/57/63/83/357576383.db2.gz SKIMUKDEAXLJRI-UHFFFAOYSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](C)CC1 ZINC000638924672 357544006 /nfs/dbraw/zinc/54/40/06/357544006.db2.gz BKFQRNQVUVYANA-UPJWGTAASA-N 2 1 266.389 -0.415 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000638934286 357546131 /nfs/dbraw/zinc/54/61/31/357546131.db2.gz GMBRUKDSDXTGGC-CHWSQXEVSA-N 2 1 268.405 -0.038 20 0 CBADMP CN(CCC[N@@H+](C)Cc1cnc(N)nc1N)CC[NH+](C)C ZINC000639186617 357560124 /nfs/dbraw/zinc/56/01/24/357560124.db2.gz QUZHWHHXOPLSNB-UHFFFAOYSA-N 2 1 295.435 -0.383 20 0 CBADMP C[N@H+]1CC[C@@]2(CCN(Cc3cnc(N)nc3N)C2)C1 ZINC000639204347 357561592 /nfs/dbraw/zinc/56/15/92/357561592.db2.gz RXIZHWSFXZFKMG-CYBMUJFWSA-N 2 1 262.361 -0.171 20 0 CBADMP CN1C(=O)CC[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1=O ZINC000639278351 357565480 /nfs/dbraw/zinc/56/54/80/357565480.db2.gz IAZGGJSVMFJNJK-GFCCVEGCSA-N 2 1 297.399 -0.041 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](OC)C[C@@]1(C)CO ZINC000639999910 357626448 /nfs/dbraw/zinc/62/64/48/357626448.db2.gz BBACDSPFTKYJIR-AVGNSLFASA-N 2 1 260.378 -0.229 20 0 CBADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000639999910 357626454 /nfs/dbraw/zinc/62/64/54/357626454.db2.gz BBACDSPFTKYJIR-AVGNSLFASA-N 2 1 260.378 -0.229 20 0 CBADMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000639999910 357626458 /nfs/dbraw/zinc/62/64/58/357626458.db2.gz BBACDSPFTKYJIR-AVGNSLFASA-N 2 1 260.378 -0.229 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000639999910 357626461 /nfs/dbraw/zinc/62/64/61/357626461.db2.gz BBACDSPFTKYJIR-AVGNSLFASA-N 2 1 260.378 -0.229 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000639999910 357626464 /nfs/dbraw/zinc/62/64/64/357626464.db2.gz BBACDSPFTKYJIR-AVGNSLFASA-N 2 1 260.378 -0.229 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000639999910 357626469 /nfs/dbraw/zinc/62/64/69/357626469.db2.gz BBACDSPFTKYJIR-AVGNSLFASA-N 2 1 260.378 -0.229 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000639999910 357626472 /nfs/dbraw/zinc/62/64/72/357626472.db2.gz BBACDSPFTKYJIR-AVGNSLFASA-N 2 1 260.378 -0.229 20 0 CBADMP Cn1cncc1CC[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000639653224 357582480 /nfs/dbraw/zinc/58/24/80/357582480.db2.gz UMTINGAZGNDUEY-LBPRGKRZSA-N 2 1 286.401 -0.072 20 0 CBADMP CN(CCc1cncn1C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000639653224 357582482 /nfs/dbraw/zinc/58/24/82/357582482.db2.gz UMTINGAZGNDUEY-LBPRGKRZSA-N 2 1 286.401 -0.072 20 0 CBADMP Cn1cncc1CC[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000639653223 357582568 /nfs/dbraw/zinc/58/25/68/357582568.db2.gz UMTINGAZGNDUEY-GFCCVEGCSA-N 2 1 286.401 -0.072 20 0 CBADMP CN(CCc1cncn1C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000639653223 357582573 /nfs/dbraw/zinc/58/25/73/357582573.db2.gz UMTINGAZGNDUEY-GFCCVEGCSA-N 2 1 286.401 -0.072 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](n2ccnn2)C1 ZINC000639706148 357586329 /nfs/dbraw/zinc/58/63/29/357586329.db2.gz ABXCGYPFDRLIQU-QWHCGFSZSA-N 2 1 283.376 -0.536 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@H](n2ccnn2)C1 ZINC000639706148 357586334 /nfs/dbraw/zinc/58/63/34/357586334.db2.gz ABXCGYPFDRLIQU-QWHCGFSZSA-N 2 1 283.376 -0.536 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000639764421 357595938 /nfs/dbraw/zinc/59/59/38/357595938.db2.gz VOGYFFXKBHTWCQ-KBPBESRZSA-N 2 1 282.388 -0.368 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000639764421 357595942 /nfs/dbraw/zinc/59/59/42/357595942.db2.gz VOGYFFXKBHTWCQ-KBPBESRZSA-N 2 1 282.388 -0.368 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000639768860 357596885 /nfs/dbraw/zinc/59/68/85/357596885.db2.gz UVMNAYGDTMTAGC-CABCVRRESA-N 2 1 285.432 -0.170 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC[C@H]2CCNC2=O)C1 ZINC000639769282 357597629 /nfs/dbraw/zinc/59/76/29/357597629.db2.gz XHWBTFOHPXVOKT-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843020 357603171 /nfs/dbraw/zinc/60/31/71/357603171.db2.gz CMBICLQYUZDGPD-JHJVBQTASA-N 2 1 296.415 -0.232 20 0 CBADMP C[N@H+](C[C@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1)C1CC1 ZINC000639944773 357620327 /nfs/dbraw/zinc/62/03/27/357620327.db2.gz OXZLUSBGSXCTRJ-NILFDRSVSA-N 2 1 295.383 -0.574 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1)C1CC1 ZINC000639944773 357620331 /nfs/dbraw/zinc/62/03/31/357620331.db2.gz OXZLUSBGSXCTRJ-NILFDRSVSA-N 2 1 295.383 -0.574 20 0 CBADMP C[NH+]1CCN(CC(=O)N[C@@H](CO)C[NH+]2CCCCC2)CC1 ZINC000640291334 357643354 /nfs/dbraw/zinc/64/33/54/357643354.db2.gz WWCVRJNLMNRRIJ-CQSZACIVSA-N 2 1 298.431 -0.803 20 0 CBADMP O=C(C[N@H+]1C[C@H]2C[C@@]2(O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000640475405 357655748 /nfs/dbraw/zinc/65/57/48/357655748.db2.gz FNBHCMWNLTXHPP-IAQYHMDHSA-N 2 1 279.384 -0.204 20 0 CBADMP O=C(C[N@@H+]1C[C@H]2C[C@@]2(O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000640475405 357655751 /nfs/dbraw/zinc/65/57/51/357655751.db2.gz FNBHCMWNLTXHPP-IAQYHMDHSA-N 2 1 279.384 -0.204 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000640051597 357632408 /nfs/dbraw/zinc/63/24/08/357632408.db2.gz ROVCKHIBYOPGAM-AWEZNQCLSA-N 2 1 298.431 -0.853 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000640051597 357632412 /nfs/dbraw/zinc/63/24/12/357632412.db2.gz ROVCKHIBYOPGAM-AWEZNQCLSA-N 2 1 298.431 -0.853 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000641475786 357710407 /nfs/dbraw/zinc/71/04/07/357710407.db2.gz QLTDXKSTSPMKMF-SNVBAGLBSA-N 2 1 258.366 -0.568 20 0 CBADMP CC[N@H+](C)C[C@H](O)Cn1cc(C[NH+]2CCC[C@H]2CO)nn1 ZINC000641221417 357680993 /nfs/dbraw/zinc/68/09/93/357680993.db2.gz GEQRETPWWYULRK-KBPBESRZSA-N 2 1 297.403 -0.453 20 0 CBADMP CC[N@@H+](C)C[C@H](O)Cn1cc(C[NH+]2CCC[C@H]2CO)nn1 ZINC000641221417 357680999 /nfs/dbraw/zinc/68/09/99/357680999.db2.gz GEQRETPWWYULRK-KBPBESRZSA-N 2 1 297.403 -0.453 20 0 CBADMP CC[NH+](C)C[C@H](O)Cn1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000641221417 357681002 /nfs/dbraw/zinc/68/10/02/357681002.db2.gz GEQRETPWWYULRK-KBPBESRZSA-N 2 1 297.403 -0.453 20 0 CBADMP CC[NH+](C)C[C@H](O)Cn1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000641221417 357681008 /nfs/dbraw/zinc/68/10/08/357681008.db2.gz GEQRETPWWYULRK-KBPBESRZSA-N 2 1 297.403 -0.453 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641224898 357682381 /nfs/dbraw/zinc/68/23/81/357682381.db2.gz YVBRZOVLABKRKX-TZMCWYRMSA-N 2 1 297.403 -0.631 20 0 CBADMP C[NH2+]C(C)(C)c1cn(C[C@H](O)C[N@@H+](C)CCOC)nn1 ZINC000641224015 357682923 /nfs/dbraw/zinc/68/29/23/357682923.db2.gz RILYBQVDYGUCSO-LLVKDONJSA-N 2 1 285.392 -0.328 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000641426468 357704308 /nfs/dbraw/zinc/70/43/08/357704308.db2.gz UPCNUMNVLJOFAR-MXWKQRLJSA-N 2 1 258.366 -0.570 20 0 CBADMP NS(=O)(=O)CCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641797464 357743097 /nfs/dbraw/zinc/74/30/97/357743097.db2.gz CYQQYGDWGQDCJF-NEPJUHHUSA-N 2 1 275.418 -0.014 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641807734 357744191 /nfs/dbraw/zinc/74/41/91/357744191.db2.gz RLTPTPUDCIWHPM-UHTWSYAYSA-N 2 1 296.415 -0.219 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000641805066 357744250 /nfs/dbraw/zinc/74/42/50/357744250.db2.gz MMNXOFBVXGCPDV-UPJWGTAASA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)N(C)CC(=O)NC1CC1 ZINC000641803820 357744285 /nfs/dbraw/zinc/74/42/85/357744285.db2.gz IBDPNHGCHJTIHK-DLOVCJGASA-N 2 1 296.415 -0.173 20 0 CBADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000641802740 357744405 /nfs/dbraw/zinc/74/44/05/357744405.db2.gz OIUVUEAPCYDVIR-AXFHLTTASA-N 2 1 255.362 -0.003 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CC1(C)C ZINC000641824391 357745554 /nfs/dbraw/zinc/74/55/54/357745554.db2.gz IDMMOZIFMVMZJW-UHFFFAOYSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CC1(C)C ZINC000641824391 357745556 /nfs/dbraw/zinc/74/55/56/357745556.db2.gz IDMMOZIFMVMZJW-UHFFFAOYSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC[C@H]1[NH3+] ZINC000641824819 357746243 /nfs/dbraw/zinc/74/62/43/357746243.db2.gz NBADEJIRLOZGON-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC[C@H]1[NH3+] ZINC000641824819 357746246 /nfs/dbraw/zinc/74/62/46/357746246.db2.gz NBADEJIRLOZGON-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC[C@@H]1[NH3+] ZINC000641824817 357746374 /nfs/dbraw/zinc/74/63/74/357746374.db2.gz NBADEJIRLOZGON-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC[C@@H]1[NH3+] ZINC000641824817 357746377 /nfs/dbraw/zinc/74/63/77/357746377.db2.gz NBADEJIRLOZGON-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000641995224 357749809 /nfs/dbraw/zinc/74/98/09/357749809.db2.gz LJBNVHWSDHIIND-KGLIPLIRSA-N 2 1 297.447 -0.128 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642329784 357753339 /nfs/dbraw/zinc/75/33/39/357753339.db2.gz SHGGZVWCAMBYCW-GRYCIOLGSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC[NH2+]1 ZINC000642403989 357754136 /nfs/dbraw/zinc/75/41/36/357754136.db2.gz RSPJDMCEOWJCHS-CYBMUJFWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)C1CC1 ZINC000642403975 357754342 /nfs/dbraw/zinc/75/43/42/357754342.db2.gz PXFCAMOSWPOWOA-LLVKDONJSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000642718190 357759110 /nfs/dbraw/zinc/75/91/10/357759110.db2.gz RJJPASJRXFXNBI-MDZLAQPJSA-N 2 1 294.399 -0.323 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642718722 357759643 /nfs/dbraw/zinc/75/96/43/357759643.db2.gz JVPGOSNJAWPHJP-MFKMUULPSA-N 2 1 294.399 -0.547 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000642718198 357759654 /nfs/dbraw/zinc/75/96/54/357759654.db2.gz RTXTUUTUGQHASU-UTUOFQBUSA-N 2 1 294.399 -0.452 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642773405 357760993 /nfs/dbraw/zinc/76/09/93/357760993.db2.gz WOZOENYTXYYOER-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642755911 357761075 /nfs/dbraw/zinc/76/10/75/357761075.db2.gz ZHHNZGSIPYTWFM-VHSXEESVSA-N 2 1 258.366 -0.704 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)C1CC1 ZINC000642756037 357761357 /nfs/dbraw/zinc/76/13/57/357761357.db2.gz JPORNQDUYJIYKH-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000642773331 357761448 /nfs/dbraw/zinc/76/14/48/357761448.db2.gz QXISLXNUXZYIDN-RYUDHWBXSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785691 357762250 /nfs/dbraw/zinc/76/22/50/357762250.db2.gz DKWDNCCFRQVODG-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP [NH3+][C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000642785844 357762713 /nfs/dbraw/zinc/76/27/13/357762713.db2.gz MSNWDOWVSBVUAS-QWHCGFSZSA-N 2 1 294.399 -0.560 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000642800813 357763486 /nfs/dbraw/zinc/76/34/86/357763486.db2.gz OOKGXXVJOAVJPG-PWSUYJOCSA-N 2 1 282.388 -0.417 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NCC[NH2+]C1CC1)C1CCCC1 ZINC000642793907 357763862 /nfs/dbraw/zinc/76/38/62/357763862.db2.gz GHWCORIZEVGHDM-UHFFFAOYSA-N 2 1 296.415 -0.155 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000642889883 357764881 /nfs/dbraw/zinc/76/48/81/357764881.db2.gz VCLXEPOZLYCEPJ-LBPRGKRZSA-N 2 1 296.415 -0.025 20 0 CBADMP O=C(NCC[NH2+]C1CC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000642887428 357764965 /nfs/dbraw/zinc/76/49/65/357764965.db2.gz XDBCMGFMPAJWAA-QWHCGFSZSA-N 2 1 294.399 -0.402 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642902395 357765669 /nfs/dbraw/zinc/76/56/69/357765669.db2.gz RJRSDQCCMNBHMZ-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000642909370 357767465 /nfs/dbraw/zinc/76/74/65/357767465.db2.gz LMZPSTXATZKJSE-WOPDTQHZSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642911200 357768616 /nfs/dbraw/zinc/76/86/16/357768616.db2.gz YKMHKEOMJLNXSL-GHMZBOCLSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642911200 357768620 /nfs/dbraw/zinc/76/86/20/357768620.db2.gz YKMHKEOMJLNXSL-GHMZBOCLSA-N 2 1 270.377 -0.752 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)[NH3+])C[C@@H]1C ZINC000642910577 357768820 /nfs/dbraw/zinc/76/88/20/357768820.db2.gz JCVZWFIPUKFEEO-VWYCJHECSA-N 2 1 270.377 -0.609 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)[NH3+])C[C@@H]1C ZINC000642910577 357768821 /nfs/dbraw/zinc/76/88/21/357768821.db2.gz JCVZWFIPUKFEEO-VWYCJHECSA-N 2 1 270.377 -0.609 20 0 CBADMP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000642920739 357771115 /nfs/dbraw/zinc/77/11/15/357771115.db2.gz VUWFYHXQCXPJFW-LBPRGKRZSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000642953870 357772499 /nfs/dbraw/zinc/77/24/99/357772499.db2.gz ZRHLFWRHPJIBNN-UTUOFQBUSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000642985813 357774449 /nfs/dbraw/zinc/77/44/49/357774449.db2.gz ANOFOHPFEWGLGM-IJLUTSLNSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)C[C@H](C)[N@H+]1C ZINC000643593047 357791391 /nfs/dbraw/zinc/79/13/91/357791391.db2.gz ISJJECQBLNDKFE-TXEJJXNPSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)C[C@H](C)[N@@H+]1C ZINC000643593047 357791397 /nfs/dbraw/zinc/79/13/97/357791397.db2.gz ISJJECQBLNDKFE-TXEJJXNPSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000643592616 357791798 /nfs/dbraw/zinc/79/17/98/357791798.db2.gz JEFDIXDWPAZCBE-NSHDSACASA-N 2 1 282.388 -0.511 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000643471906 357784321 /nfs/dbraw/zinc/78/43/21/357784321.db2.gz PEKYGBXBDLMMQD-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)NC(N)=O)CC[N@@H+]1C ZINC000123985528 291124867 /nfs/dbraw/zinc/12/48/67/291124867.db2.gz CMHXXQOECAUJGD-VHSXEESVSA-N 2 1 256.350 -0.014 20 0 CBADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)NC(N)=O)CC[N@H+]1C ZINC000123985528 291124870 /nfs/dbraw/zinc/12/48/70/291124870.db2.gz CMHXXQOECAUJGD-VHSXEESVSA-N 2 1 256.350 -0.014 20 0 CBADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)NC(N)=O)CC[NH+]1C ZINC000123985528 291124874 /nfs/dbraw/zinc/12/48/74/291124874.db2.gz CMHXXQOECAUJGD-VHSXEESVSA-N 2 1 256.350 -0.014 20 0 CBADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)NC(N)=O)CC[NH+]1C ZINC000123985528 291124878 /nfs/dbraw/zinc/12/48/78/291124878.db2.gz CMHXXQOECAUJGD-VHSXEESVSA-N 2 1 256.350 -0.014 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000419325981 291132594 /nfs/dbraw/zinc/13/25/94/291132594.db2.gz XVGJHIPEBIIJGN-UWVGGRQHSA-N 2 1 282.388 -0.419 20 0 CBADMP NC(=O)[C@]1(O)CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000367484440 283362059 /nfs/dbraw/zinc/36/20/59/283362059.db2.gz RSQWWXWWEVICOK-ZDUSSCGKSA-N 2 1 255.362 -0.216 20 0 CBADMP NC(=O)[C@]1(O)CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000367484440 283362060 /nfs/dbraw/zinc/36/20/60/283362060.db2.gz RSQWWXWWEVICOK-ZDUSSCGKSA-N 2 1 255.362 -0.216 20 0 CBADMP CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000330580678 283449182 /nfs/dbraw/zinc/44/91/82/283449182.db2.gz RIKHOVAIETYMRB-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000341620861 216038621 /nfs/dbraw/zinc/03/86/21/216038621.db2.gz VBJLKYQQGBLHKZ-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000341620871 216039547 /nfs/dbraw/zinc/03/95/47/216039547.db2.gz VBJLKYQQGBLHKZ-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@H+]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)[C@@H](C)C1 ZINC000341777022 216099471 /nfs/dbraw/zinc/09/94/71/216099471.db2.gz OYZKQAWYVLHGIP-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)[C@@H](C)C1 ZINC000341777022 216099472 /nfs/dbraw/zinc/09/94/72/216099472.db2.gz OYZKQAWYVLHGIP-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)[C@@H](C)C1 ZINC000341777022 216099475 /nfs/dbraw/zinc/09/94/75/216099475.db2.gz OYZKQAWYVLHGIP-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000237459150 296014695 /nfs/dbraw/zinc/01/46/95/296014695.db2.gz YDUYJYODIFSLOO-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000353424512 296056544 /nfs/dbraw/zinc/05/65/44/296056544.db2.gz PNJRJHLYKYPZLY-OLZOCXBDSA-N 2 1 267.373 -0.177 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000043710426 296055677 /nfs/dbraw/zinc/05/56/77/296055677.db2.gz ZXEXGVCGUKUDCV-RYUDHWBXSA-N 2 1 253.346 -0.329 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000043710426 296055678 /nfs/dbraw/zinc/05/56/78/296055678.db2.gz ZXEXGVCGUKUDCV-RYUDHWBXSA-N 2 1 253.346 -0.329 20 0 CBADMP C[C@]1(C(N)=O)CC[NH+](CCC[N@@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361565848 291376237 /nfs/dbraw/zinc/37/62/37/291376237.db2.gz QQKXXULVEQLPSU-GJZGRUSLSA-N 2 1 296.415 -0.229 20 0 CBADMP CCC[C@]1(C)C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420361632 284044712 /nfs/dbraw/zinc/04/47/12/284044712.db2.gz NNIZCYIDRXIXOX-OAHLLOKOSA-N 2 1 296.415 -0.201 20 0 CBADMP O=C([C@H]1CC[NH2+]C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186682662 296124468 /nfs/dbraw/zinc/12/44/68/296124468.db2.gz KZJXAPVZKPHGMQ-RYUDHWBXSA-N 2 1 280.372 -0.981 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364213348 296138310 /nfs/dbraw/zinc/13/83/10/296138310.db2.gz IDQQCUMGICUNAB-IGQOVBAYSA-N 2 1 279.384 -0.083 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364213351 296138007 /nfs/dbraw/zinc/13/80/07/296138007.db2.gz IDQQCUMGICUNAB-XDQVBPFNSA-N 2 1 279.384 -0.083 20 0 CBADMP 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 296147931 /nfs/dbraw/zinc/14/79/31/296147931.db2.gz JUKACSPMMWDUIQ-ODXJTPSBSA-N 2 1 279.384 -0.348 20 0 CBADMP CC[NH+]1CCN(CC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000344021653 217011981 /nfs/dbraw/zinc/01/19/81/217011981.db2.gz WBHSAVXTBBXZPN-UHFFFAOYSA-N 2 1 268.405 -0.212 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000331713073 204098463 /nfs/dbraw/zinc/09/84/63/204098463.db2.gz ZHHIFGGFBDLQAJ-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC2([NH3+])CCC2)C[C@@H]1C ZINC000331948650 204326423 /nfs/dbraw/zinc/32/64/23/204326423.db2.gz ZCHPQACGGGMJSP-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC2([NH3+])CCC2)C[C@@H]1C ZINC000331948650 204326424 /nfs/dbraw/zinc/32/64/24/204326424.db2.gz ZCHPQACGGGMJSP-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1C[N@H+](CCN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCO1 ZINC000331979269 204356201 /nfs/dbraw/zinc/35/62/01/204356201.db2.gz UKKWOKDMADTKSC-AEGPPILISA-N 2 1 293.415 -0.133 20 0 CBADMP C[C@H]1C[N@@H+](CCN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCO1 ZINC000331979269 204356204 /nfs/dbraw/zinc/35/62/04/204356204.db2.gz UKKWOKDMADTKSC-AEGPPILISA-N 2 1 293.415 -0.133 20 0 CBADMP CC[NH+]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000344044050 217024968 /nfs/dbraw/zinc/02/49/68/217024968.db2.gz RPOREIQTFIYIOZ-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP CNC(=O)CC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344055899 217029214 /nfs/dbraw/zinc/02/92/14/217029214.db2.gz LDSPZBWHSCFEQJ-UHFFFAOYSA-N 2 1 258.410 -0.062 20 0 CBADMP CN(CCC[N@@H+](C)[C@H]1CCNC1=O)CC[NH+](C)C ZINC000344064441 217035290 /nfs/dbraw/zinc/03/52/90/217035290.db2.gz OECDMQSXTFKOTA-LBPRGKRZSA-N 2 1 256.394 -0.310 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000344103037 217050985 /nfs/dbraw/zinc/05/09/85/217050985.db2.gz PBDCRMZESHAIOP-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000344103037 217050987 /nfs/dbraw/zinc/05/09/87/217050987.db2.gz PBDCRMZESHAIOP-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1[NH2+]CCO[C@H]1C ZINC000344424854 217188433 /nfs/dbraw/zinc/18/84/33/217188433.db2.gz ZQBCVFMWDWDBLS-YNEHKIRRSA-N 2 1 287.404 -0.164 20 0 CBADMP COCCC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000344452359 217197114 /nfs/dbraw/zinc/19/71/14/217197114.db2.gz XDUWIEPQZPLOOQ-OCCSQVGLSA-N 2 1 299.415 -0.020 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)C1(C[NH3+])CCOCC1 ZINC000344481483 217206225 /nfs/dbraw/zinc/20/62/25/217206225.db2.gz IFFSRYLSTVDSME-UHFFFAOYSA-N 2 1 287.404 -0.174 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[N@H+]3CCC[C@H]3C2)O1 ZINC000094568412 372776072 /nfs/dbraw/zinc/77/60/72/372776072.db2.gz IUGLCJPUDZWLLM-TUAOUCFPSA-N 2 1 253.346 -0.201 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000131786291 372798897 /nfs/dbraw/zinc/79/88/97/372798897.db2.gz KRFJAVGCYZBZPR-VHSXEESVSA-N 2 1 266.345 -0.747 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000131786291 372798906 /nfs/dbraw/zinc/79/89/06/372798906.db2.gz KRFJAVGCYZBZPR-VHSXEESVSA-N 2 1 266.345 -0.747 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000353436391 220081228 /nfs/dbraw/zinc/08/12/28/220081228.db2.gz BEZUUWXNSPDSON-YPMHNXCESA-N 2 1 285.388 -0.328 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000157556459 372808058 /nfs/dbraw/zinc/80/80/58/372808058.db2.gz GEPKTJBGXZSCEK-MNOVXSKESA-N 2 1 268.361 -0.901 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000157556782 372809090 /nfs/dbraw/zinc/80/90/90/372809090.db2.gz GEPKTJBGXZSCEK-GHMZBOCLSA-N 2 1 268.361 -0.901 20 0 CBADMP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353442586 220085542 /nfs/dbraw/zinc/08/55/42/220085542.db2.gz SKMCNVMIRSVYIF-LLVKDONJSA-N 2 1 284.404 -0.231 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000353451059 220091804 /nfs/dbraw/zinc/09/18/04/220091804.db2.gz PIQNYZMCYZFAEQ-QWRGUYRKSA-N 2 1 259.350 -0.955 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000249600150 372894702 /nfs/dbraw/zinc/89/47/02/372894702.db2.gz NSCGHKUNNXPGCU-MROQNXINSA-N 2 1 285.388 -0.723 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000249600150 372894711 /nfs/dbraw/zinc/89/47/11/372894711.db2.gz NSCGHKUNNXPGCU-MROQNXINSA-N 2 1 285.388 -0.723 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333297352 205194744 /nfs/dbraw/zinc/19/47/44/205194744.db2.gz ILYDWXFBNQRNLH-AVGNSLFASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)[N@@H+](C)C1CC1 ZINC000333402531 205290357 /nfs/dbraw/zinc/29/03/57/205290357.db2.gz QECIDJLXDMLAHU-LLVKDONJSA-N 2 1 282.388 -0.147 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000333417911 205304694 /nfs/dbraw/zinc/30/46/94/205304694.db2.gz SDBQMFNJZGXQPG-MCIONIFRSA-N 2 1 296.415 -0.042 20 0 CBADMP CN(CCC[NH3+])Cc1cn(C[C@H](O)C[N@@H+](C)C2CC2)nn1 ZINC000328013320 372973110 /nfs/dbraw/zinc/97/31/10/372973110.db2.gz QNVKDNRSRYBIOA-CQSZACIVSA-N 2 1 296.419 -0.486 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000332549181 373006648 /nfs/dbraw/zinc/00/66/48/373006648.db2.gz IKBBWAFGCNSWNR-JHJVBQTASA-N 2 1 294.399 -0.321 20 0 CBADMP COCC[N@H+](C)CCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000339250800 373035039 /nfs/dbraw/zinc/03/50/39/373035039.db2.gz YQFDOPYQCKHJQO-CYBMUJFWSA-N 2 1 286.420 -0.683 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000339250800 373035046 /nfs/dbraw/zinc/03/50/46/373035046.db2.gz YQFDOPYQCKHJQO-CYBMUJFWSA-N 2 1 286.420 -0.683 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000333941573 373013203 /nfs/dbraw/zinc/01/32/03/373013203.db2.gz PCUMEPARZPKHLO-LBPRGKRZSA-N 2 1 269.393 -0.715 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333933177 373014264 /nfs/dbraw/zinc/01/42/64/373014264.db2.gz HLMQVDRPMIDCTD-KGLIPLIRSA-N 2 1 295.431 -0.230 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)C2([NH3+])CC2)CC1 ZINC000353527896 220139158 /nfs/dbraw/zinc/13/91/58/220139158.db2.gz UOOJVVJFURMRHT-UHFFFAOYSA-N 2 1 254.378 -0.379 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000333489724 205368556 /nfs/dbraw/zinc/36/85/56/205368556.db2.gz DCGPISAXVUDIAN-AVGNSLFASA-N 2 1 284.404 -0.165 20 0 CBADMP CN1CCO[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000346314784 373068673 /nfs/dbraw/zinc/06/86/73/373068673.db2.gz HWBIHPAKMHHVJS-OCCSQVGLSA-N 2 1 267.373 -0.129 20 0 CBADMP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000346314784 373068679 /nfs/dbraw/zinc/06/86/79/373068679.db2.gz HWBIHPAKMHHVJS-OCCSQVGLSA-N 2 1 267.373 -0.129 20 0 CBADMP C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000346314784 373068684 /nfs/dbraw/zinc/06/86/84/373068684.db2.gz HWBIHPAKMHHVJS-OCCSQVGLSA-N 2 1 267.373 -0.129 20 0 CBADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000346314784 373068689 /nfs/dbraw/zinc/06/86/89/373068689.db2.gz HWBIHPAKMHHVJS-OCCSQVGLSA-N 2 1 267.373 -0.129 20 0 CBADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000346314784 373068694 /nfs/dbraw/zinc/06/86/94/373068694.db2.gz HWBIHPAKMHHVJS-OCCSQVGLSA-N 2 1 267.373 -0.129 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000340953057 373042082 /nfs/dbraw/zinc/04/20/82/373042082.db2.gz JEZZSXWJHPPRLK-OLZOCXBDSA-N 2 1 270.421 -0.065 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000353553272 220152947 /nfs/dbraw/zinc/15/29/47/220152947.db2.gz QURMMSWGPDIBEB-NWDGAFQWSA-N 2 1 272.393 -0.044 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353438068 373113418 /nfs/dbraw/zinc/11/34/18/373113418.db2.gz YUWDBRWFLIQKQI-FRRDWIJNSA-N 2 1 287.404 -0.034 20 0 CBADMP COC[C@]1(CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CCC[NH2+]1 ZINC000357275414 373167442 /nfs/dbraw/zinc/16/74/42/373167442.db2.gz RISVKYMBDBOIRJ-NTZNESFSSA-N 2 1 271.361 -0.752 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN(CCOC)CC2)C1 ZINC000360418324 373186732 /nfs/dbraw/zinc/18/67/32/373186732.db2.gz JYUVLZHINCNSOO-ZDUSSCGKSA-N 2 1 285.388 -0.502 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN(CCOC)CC2)C1 ZINC000360418324 373186744 /nfs/dbraw/zinc/18/67/44/373186744.db2.gz JYUVLZHINCNSOO-ZDUSSCGKSA-N 2 1 285.388 -0.502 20 0 CBADMP O=C(CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000360550577 373206712 /nfs/dbraw/zinc/20/67/12/373206712.db2.gz IPWJDADBCGZLJW-AWEZNQCLSA-N 2 1 267.373 -0.079 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000353585585 220173780 /nfs/dbraw/zinc/17/37/80/220173780.db2.gz ATVLGOJNTHFBJN-GHMZBOCLSA-N 2 1 270.377 -0.574 20 0 CBADMP CNC(=O)C[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000361175638 373265277 /nfs/dbraw/zinc/26/52/77/373265277.db2.gz QLBJJBCQLPLBCO-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CSCN3)CC2)C1 ZINC000361709995 373327358 /nfs/dbraw/zinc/32/73/58/373327358.db2.gz BEERKTQOEIKBIH-QWHCGFSZSA-N 2 1 298.456 -0.113 20 0 CBADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CSC[NH2+]3)CC2)C1 ZINC000361709995 373327368 /nfs/dbraw/zinc/32/73/68/373327368.db2.gz BEERKTQOEIKBIH-QWHCGFSZSA-N 2 1 298.456 -0.113 20 0 CBADMP C[C@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCC[NH2+]C1 ZINC000353592952 220178708 /nfs/dbraw/zinc/17/87/08/220178708.db2.gz UNPSGXNZANBRER-WFASDCNBSA-N 2 1 296.415 -0.168 20 0 CBADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353600083 220183249 /nfs/dbraw/zinc/18/32/49/220183249.db2.gz VZZFCUPVYXHABX-NWDGAFQWSA-N 2 1 284.404 -0.040 20 0 CBADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353600083 220183251 /nfs/dbraw/zinc/18/32/51/220183251.db2.gz VZZFCUPVYXHABX-NWDGAFQWSA-N 2 1 284.404 -0.040 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000362498156 373417837 /nfs/dbraw/zinc/41/78/37/373417837.db2.gz KWVHNSRQILSNJS-CHWSQXEVSA-N 2 1 296.415 -0.584 20 0 CBADMP NS(=O)(=O)c1ccc(OCC[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050248767 220194682 /nfs/dbraw/zinc/19/46/82/220194682.db2.gz AXLZZJLGWSNXKD-LLVKDONJSA-N 2 1 299.396 -0.007 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362763856 373443819 /nfs/dbraw/zinc/44/38/19/373443819.db2.gz WTTKQXRTKJGJIP-STQMWFEESA-N 2 1 269.389 -0.025 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362763856 373443824 /nfs/dbraw/zinc/44/38/24/373443824.db2.gz WTTKQXRTKJGJIP-STQMWFEESA-N 2 1 269.389 -0.025 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000362868556 373459150 /nfs/dbraw/zinc/45/91/50/373459150.db2.gz QFRRDAWNTQQXIM-NEPJUHHUSA-N 2 1 269.389 -0.243 20 0 CBADMP O=C(NCC[NH+]1CCCCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000362685649 373435507 /nfs/dbraw/zinc/43/55/07/373435507.db2.gz MJTKUQODXJVAPD-CQSZACIVSA-N 2 1 280.416 -0.022 20 0 CBADMP CN1CC[NH+](CCCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000399312151 373584993 /nfs/dbraw/zinc/58/49/93/373584993.db2.gz RJVZZQXKETXVFA-UHFFFAOYSA-N 2 1 254.378 -0.650 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000399400761 373585181 /nfs/dbraw/zinc/58/51/81/373585181.db2.gz AMDSSTXCFFAQBP-SMDDNHRTSA-N 2 1 298.431 -0.068 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000377292282 373575987 /nfs/dbraw/zinc/57/59/87/373575987.db2.gz QFTFEDSODFZKAO-MROQNXINSA-N 2 1 285.388 -0.987 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000377292282 373575995 /nfs/dbraw/zinc/57/59/95/373575995.db2.gz QFTFEDSODFZKAO-MROQNXINSA-N 2 1 285.388 -0.987 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417091404 373624803 /nfs/dbraw/zinc/62/48/03/373624803.db2.gz JUKFETUKVLFHTB-NSHDSACASA-N 2 1 260.382 -0.057 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417085972 373625466 /nfs/dbraw/zinc/62/54/66/373625466.db2.gz BYWHJZXJQWUKOS-LBPRGKRZSA-N 2 1 272.393 -0.009 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)NC[C@H](C)C[NH3+] ZINC000417098258 373627860 /nfs/dbraw/zinc/62/78/60/373627860.db2.gz YAPZNUKUTRANID-LLVKDONJSA-N 2 1 260.382 -0.151 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[NH2+]CC1 ZINC000417098323 373628560 /nfs/dbraw/zinc/62/85/60/373628560.db2.gz YNCQBQTVCPJUDL-UHFFFAOYSA-N 2 1 272.393 -0.040 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417446300 373629407 /nfs/dbraw/zinc/62/94/07/373629407.db2.gz KPJSEBWQWSZQMZ-NSHDSACASA-N 2 1 258.366 -0.384 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000418537394 373633426 /nfs/dbraw/zinc/63/34/26/373633426.db2.gz CUEQCGGXIRNTEE-WOPDTQHZSA-N 2 1 272.393 -0.180 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[NH3+])C[C@H]1C ZINC000419821680 373640993 /nfs/dbraw/zinc/64/09/93/373640993.db2.gz UPMOXEPCTJECDW-NXEZZACHSA-N 2 1 256.350 -0.998 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[NH3+])C[C@H]1C ZINC000419821680 373641000 /nfs/dbraw/zinc/64/10/00/373641000.db2.gz UPMOXEPCTJECDW-NXEZZACHSA-N 2 1 256.350 -0.998 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419874527 373644460 /nfs/dbraw/zinc/64/44/60/373644460.db2.gz WBWJLTDZVFGUQS-QWHCGFSZSA-N 2 1 296.415 -0.219 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420018799 373645451 /nfs/dbraw/zinc/64/54/51/373645451.db2.gz QIISBIRBNNHBQY-WDEREUQCSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420018799 373645459 /nfs/dbraw/zinc/64/54/59/373645459.db2.gz QIISBIRBNNHBQY-WDEREUQCSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH3+])CC[N@@H+]1C ZINC000420021768 373646973 /nfs/dbraw/zinc/64/69/73/373646973.db2.gz IJMVGIGVBWVGFK-MNOVXSKESA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH3+])CC[N@H+]1C ZINC000420021768 373646976 /nfs/dbraw/zinc/64/69/76/373646976.db2.gz IJMVGIGVBWVGFK-MNOVXSKESA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000420089187 373649996 /nfs/dbraw/zinc/64/99/96/373649996.db2.gz JLBOBSOSUFTGDS-LBPRGKRZSA-N 2 1 296.415 -0.075 20 0 CBADMP COCC[N@H+](C)CCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422903550 373653620 /nfs/dbraw/zinc/65/36/20/373653620.db2.gz FPCLLCHNPNIDGE-UONOGXRCSA-N 2 1 271.405 -0.079 20 0 CBADMP COCC[N@@H+](C)CCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422903550 373653630 /nfs/dbraw/zinc/65/36/30/373653630.db2.gz FPCLLCHNPNIDGE-UONOGXRCSA-N 2 1 271.405 -0.079 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423247959 373656794 /nfs/dbraw/zinc/65/67/94/373656794.db2.gz QXQIBZDMTUUPIA-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000423744691 373662449 /nfs/dbraw/zinc/66/24/49/373662449.db2.gz WLCJQXHHCOBQKE-AGIUHOORSA-N 2 1 267.373 -0.084 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000423744691 373662456 /nfs/dbraw/zinc/66/24/56/373662456.db2.gz WLCJQXHHCOBQKE-AGIUHOORSA-N 2 1 267.373 -0.084 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000431004164 373674989 /nfs/dbraw/zinc/67/49/89/373674989.db2.gz INEGPWUNWICKKJ-QWHCGFSZSA-N 2 1 284.404 -0.883 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432537905 373675308 /nfs/dbraw/zinc/67/53/08/373675308.db2.gz IKENJHYZPILXDX-YFKTTZPYSA-N 2 1 253.346 -0.548 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000434455441 373677762 /nfs/dbraw/zinc/67/77/62/373677762.db2.gz ZHVYYBAJJIKPBO-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000434455441 373677768 /nfs/dbraw/zinc/67/77/68/373677768.db2.gz ZHVYYBAJJIKPBO-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[C@H](C)[NH3+] ZINC000493766425 373728209 /nfs/dbraw/zinc/72/82/09/373728209.db2.gz JIZUTZMODSVVBV-OUAUKWLOSA-N 2 1 270.377 -0.574 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)/C=C\C[NH+](C)C ZINC000493800887 373731488 /nfs/dbraw/zinc/73/14/88/373731488.db2.gz DBQSAEODGCIAEY-QMAVJUDZSA-N 2 1 255.362 -0.371 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)/C=C\C[NH+](C)C ZINC000493800887 373731493 /nfs/dbraw/zinc/73/14/93/373731493.db2.gz DBQSAEODGCIAEY-QMAVJUDZSA-N 2 1 255.362 -0.371 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC(=O)N1CC[NH+](CC)CC1 ZINC000516184911 373805233 /nfs/dbraw/zinc/80/52/33/373805233.db2.gz JWRAHIDSZKXPPG-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC(=O)N1CC[NH+](CC)CC1 ZINC000516184911 373805238 /nfs/dbraw/zinc/80/52/38/373805238.db2.gz JWRAHIDSZKXPPG-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP NC(=O)c1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000521069883 373839795 /nfs/dbraw/zinc/83/97/95/373839795.db2.gz WUQMSEWSPOAKQH-CHWSQXEVSA-N 2 1 288.351 -0.471 20 0 CBADMP NC(=O)c1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000521069883 373839799 /nfs/dbraw/zinc/83/97/99/373839799.db2.gz WUQMSEWSPOAKQH-CHWSQXEVSA-N 2 1 288.351 -0.471 20 0 CBADMP Cc1[nH+]ccn1CCC[NH2+]CCC(=O)NC(N)=O ZINC000520798605 373832799 /nfs/dbraw/zinc/83/27/99/373832799.db2.gz YKCGOHXWGCCYSV-UHFFFAOYSA-N 2 1 253.306 -0.244 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000515666229 373795466 /nfs/dbraw/zinc/79/54/66/373795466.db2.gz QLWBRSUGXWKVGZ-WOPDTQHZSA-N 2 1 257.378 -0.197 20 0 CBADMP CCN1CCN(C(=O)[C@H](C)[NH+]2CC(C)(C(N)=O)C2)CC1 ZINC000515837778 373795810 /nfs/dbraw/zinc/79/58/10/373795810.db2.gz CANKXRILPZXRIX-NSHDSACASA-N 2 1 282.388 -0.654 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000524466077 373885706 /nfs/dbraw/zinc/88/57/06/373885706.db2.gz NXOOOGUSRZDAPK-GXTWGEPZSA-N 2 1 295.431 -0.232 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000524466077 373885714 /nfs/dbraw/zinc/88/57/14/373885714.db2.gz NXOOOGUSRZDAPK-GXTWGEPZSA-N 2 1 295.431 -0.232 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000524466077 373885721 /nfs/dbraw/zinc/88/57/21/373885721.db2.gz NXOOOGUSRZDAPK-GXTWGEPZSA-N 2 1 295.431 -0.232 20 0 CBADMP C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CC(C)C1 ZINC000521456872 373844063 /nfs/dbraw/zinc/84/40/63/373844063.db2.gz IKQQZTYUEQWSTR-CHWSQXEVSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H]1C[N@@H+](C)CCN1C[C@@H](O)C[NH+](C)CCOC ZINC000521642428 373849027 /nfs/dbraw/zinc/84/90/27/373849027.db2.gz ZIDUCFAZMMSIBL-KBPBESRZSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[C@H]1C[NH+](C)CCN1C[C@@H](O)C[N@H+](C)CCOC ZINC000521642428 373849034 /nfs/dbraw/zinc/84/90/34/373849034.db2.gz ZIDUCFAZMMSIBL-KBPBESRZSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[C@H]1C[NH+](C)CCN1C[C@@H](O)C[N@@H+](C)CCOC ZINC000521642428 373849042 /nfs/dbraw/zinc/84/90/42/373849042.db2.gz ZIDUCFAZMMSIBL-KBPBESRZSA-N 2 1 273.421 -0.049 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522147327 373860869 /nfs/dbraw/zinc/86/08/69/373860869.db2.gz BJPFKQHXQWANQW-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522147327 373860874 /nfs/dbraw/zinc/86/08/74/373860874.db2.gz BJPFKQHXQWANQW-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522147327 373860882 /nfs/dbraw/zinc/86/08/82/373860882.db2.gz BJPFKQHXQWANQW-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000522146740 373862837 /nfs/dbraw/zinc/86/28/37/373862837.db2.gz XUCONPLMUCXOLF-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000522146740 373862841 /nfs/dbraw/zinc/86/28/41/373862841.db2.gz XUCONPLMUCXOLF-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000522266326 373867246 /nfs/dbraw/zinc/86/72/46/373867246.db2.gz IFDRUVDGVGODSF-ZIAGYGMSSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)CN1CC[NH+](C)CC1 ZINC000522266326 373867256 /nfs/dbraw/zinc/86/72/56/373867256.db2.gz IFDRUVDGVGODSF-ZIAGYGMSSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)CN1CC[NH+](C)CC1 ZINC000522266326 373867263 /nfs/dbraw/zinc/86/72/63/373867263.db2.gz IFDRUVDGVGODSF-ZIAGYGMSSA-N 2 1 282.432 -0.062 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000527719421 373934713 /nfs/dbraw/zinc/93/47/13/373934713.db2.gz WRVCPNJDVHIFDA-UHFFFAOYSA-N 2 1 279.388 -0.103 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529347766 374009461 /nfs/dbraw/zinc/00/94/61/374009461.db2.gz BJKYEPGOMFXHLL-STQMWFEESA-N 2 1 296.415 -0.021 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529347766 374009467 /nfs/dbraw/zinc/00/94/67/374009467.db2.gz BJKYEPGOMFXHLL-STQMWFEESA-N 2 1 296.415 -0.021 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529376358 374018114 /nfs/dbraw/zinc/01/81/14/374018114.db2.gz BZNOKDXKTZIWNV-VXGBXAGGSA-N 2 1 270.377 -0.290 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3COCC[NH2+]3)[C@@H]2C1 ZINC000529377969 374019924 /nfs/dbraw/zinc/01/99/24/374019924.db2.gz RXFGXUZLWJFNMN-FRRDWIJNSA-N 2 1 282.388 -0.290 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529384652 374024459 /nfs/dbraw/zinc/02/44/59/374024459.db2.gz DQMHVKIGBUVXOL-JQWIXIFHSA-N 2 1 274.340 -0.682 20 0 CBADMP CN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000529384038 374022015 /nfs/dbraw/zinc/02/20/15/374022015.db2.gz XWGPQQGHMYZQCT-DGCLKSJQSA-N 2 1 282.388 -0.147 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000529384322 374022347 /nfs/dbraw/zinc/02/23/47/374022347.db2.gz AQOOVNWBBAYJHT-QWHCGFSZSA-N 2 1 278.356 -0.141 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000529384322 374022353 /nfs/dbraw/zinc/02/23/53/374022353.db2.gz AQOOVNWBBAYJHT-QWHCGFSZSA-N 2 1 278.356 -0.141 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000530231717 374068665 /nfs/dbraw/zinc/06/86/65/374068665.db2.gz LEYIZQQMNKJPRK-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000531054011 374113965 /nfs/dbraw/zinc/11/39/65/374113965.db2.gz MMORZXUXUXZYPC-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000531054011 374113975 /nfs/dbraw/zinc/11/39/75/374113975.db2.gz MMORZXUXUXZYPC-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000531054011 374113979 /nfs/dbraw/zinc/11/39/79/374113979.db2.gz MMORZXUXUXZYPC-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000531054011 374113987 /nfs/dbraw/zinc/11/39/87/374113987.db2.gz MMORZXUXUXZYPC-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CN1CCO[C@H](C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000555545143 374291386 /nfs/dbraw/zinc/29/13/86/374291386.db2.gz VYLJAXSRMLJKCF-NSHDSACASA-N 2 1 255.362 -0.130 20 0 CBADMP CN1CCO[C@H](C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000555545143 374291388 /nfs/dbraw/zinc/29/13/88/374291388.db2.gz VYLJAXSRMLJKCF-NSHDSACASA-N 2 1 255.362 -0.130 20 0 CBADMP CC(C)OCCN1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000565047499 374327458 /nfs/dbraw/zinc/32/74/58/374327458.db2.gz SMPKUGJHTVPDDV-UHFFFAOYSA-N 2 1 284.448 -0.066 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CCC[C@@H](N2CCNC2=O)C1)C1CC1 ZINC000583840985 374369901 /nfs/dbraw/zinc/36/99/01/374369901.db2.gz WYBNAMFHINRQFV-ZIAGYGMSSA-N 2 1 296.415 -0.069 20 0 CBADMP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000644124481 374490183 /nfs/dbraw/zinc/49/01/83/374490183.db2.gz MYHXULBTHKQMPA-VHSXEESVSA-N 2 1 277.315 -0.180 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000644129690 374490334 /nfs/dbraw/zinc/49/03/34/374490334.db2.gz HBTJDDRBDQVJJN-GARJFASQSA-N 2 1 265.361 -0.124 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000644129689 374490616 /nfs/dbraw/zinc/49/06/16/374490616.db2.gz HBTJDDRBDQVJJN-DCAQKATOSA-N 2 1 265.361 -0.124 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000644164140 374497122 /nfs/dbraw/zinc/49/71/22/374497122.db2.gz WWOKFGGQMOPIDU-KGLIPLIRSA-N 2 1 290.367 -0.067 20 0 CBADMP CC[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000644539500 374590424 /nfs/dbraw/zinc/59/04/24/374590424.db2.gz TTWXZYSGTGNPRR-VXGBXAGGSA-N 2 1 257.378 -0.066 20 0 CBADMP C[C@@H](C(=O)NCCC[N@@H+](C)CCN(C)C)[NH+](C)C ZINC000644531678 374591174 /nfs/dbraw/zinc/59/11/74/374591174.db2.gz PLJPIXGZSXXHAL-LBPRGKRZSA-N 2 1 258.410 -0.064 20 0 CBADMP C[C@@H](C(=O)NCCCN(C)CC[NH+](C)C)[NH+](C)C ZINC000644531678 374591181 /nfs/dbraw/zinc/59/11/81/374591181.db2.gz PLJPIXGZSXXHAL-LBPRGKRZSA-N 2 1 258.410 -0.064 20 0 CBADMP CC[C@@H](O)C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000644569610 374597070 /nfs/dbraw/zinc/59/70/70/374597070.db2.gz DMUXHAMLEZNJJK-ZIAGYGMSSA-N 2 1 271.405 -0.247 20 0 CBADMP CCNC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000644595241 374600745 /nfs/dbraw/zinc/60/07/45/374600745.db2.gz IZZJOLBSQAMZLL-AAEUAGOBSA-N 2 1 284.404 -0.165 20 0 CBADMP CCNC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644595241 374600747 /nfs/dbraw/zinc/60/07/47/374600747.db2.gz IZZJOLBSQAMZLL-AAEUAGOBSA-N 2 1 284.404 -0.165 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCCC(=O)N1)C1CC1 ZINC000644635313 374604794 /nfs/dbraw/zinc/60/47/94/374604794.db2.gz YBWKMHSMUIVTOO-ZYHUDNBSSA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCCC(=O)N1)C1CC1 ZINC000644635313 374604797 /nfs/dbraw/zinc/60/47/97/374604797.db2.gz YBWKMHSMUIVTOO-ZYHUDNBSSA-N 2 1 255.362 -0.300 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000644714281 374612229 /nfs/dbraw/zinc/61/22/29/374612229.db2.gz RWKFXNZQHQFNKD-ITGUQSILSA-N 2 1 267.373 -0.679 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000644714281 374612242 /nfs/dbraw/zinc/61/22/42/374612242.db2.gz RWKFXNZQHQFNKD-ITGUQSILSA-N 2 1 267.373 -0.679 20 0 CBADMP C[N@H+]1C[C@H]2[C@@H](CCN2CC(=O)N2CC[NH+](C)CC2)C1 ZINC000644729792 374615566 /nfs/dbraw/zinc/61/55/66/374615566.db2.gz GWPPEJPMFDJHTA-STQMWFEESA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@@H+]1C[C@H]2[C@@H](CCN2CC(=O)N2CC[NH+](C)CC2)C1 ZINC000644729792 374615568 /nfs/dbraw/zinc/61/55/68/374615568.db2.gz GWPPEJPMFDJHTA-STQMWFEESA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CC[NH+](C)CC3)[C@@H]2C1 ZINC000644826613 374625820 /nfs/dbraw/zinc/62/58/20/374625820.db2.gz IQMCYKLTIBQGBR-UONOGXRCSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CC[NH+](C)CC3)[C@@H]2C1 ZINC000644826613 374625828 /nfs/dbraw/zinc/62/58/28/374625828.db2.gz IQMCYKLTIBQGBR-UONOGXRCSA-N 2 1 280.416 -0.214 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)COCC[NH3+])C1 ZINC000645215252 374651585 /nfs/dbraw/zinc/65/15/85/374651585.db2.gz RDBNFMCQDQUCEY-GFCCVEGCSA-N 2 1 273.377 -0.565 20 0 CBADMP CC(C)[C@H](CNC(=O)COCC[NH3+])[NH+]1CCOCC1 ZINC000645302417 374658578 /nfs/dbraw/zinc/65/85/78/374658578.db2.gz NTKCTRDNTVTWQR-LBPRGKRZSA-N 2 1 273.377 -0.565 20 0 CBADMP [NH3+]CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)nn1 ZINC000645953448 374717388 /nfs/dbraw/zinc/71/73/88/374717388.db2.gz UNLSQHXJVCWSOC-GFCCVEGCSA-N 2 1 292.387 -0.159 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953368 374717583 /nfs/dbraw/zinc/71/75/83/374717583.db2.gz RCXNFJCNHDCNME-QWHCGFSZSA-N 2 1 267.373 -0.035 20 0 CBADMP C[NH2+]CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645977966 374720396 /nfs/dbraw/zinc/72/03/96/374720396.db2.gz OWVFOAAPYGDFAE-NSHDSACASA-N 2 1 254.378 -0.510 20 0 CBADMP C[NH2+]CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000645977966 374720398 /nfs/dbraw/zinc/72/03/98/374720398.db2.gz OWVFOAAPYGDFAE-NSHDSACASA-N 2 1 254.378 -0.510 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CC[NH2+]3)CC2)C1 ZINC000646003128 374724988 /nfs/dbraw/zinc/72/49/88/374724988.db2.gz SVPXLQZNELRBIA-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C3(C)C[NH2+]C3)CC2)C1 ZINC000646003173 374725245 /nfs/dbraw/zinc/72/52/45/374725245.db2.gz VJBCJPLTQABADF-ZDUSSCGKSA-N 2 1 280.416 -0.166 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000646061101 374737203 /nfs/dbraw/zinc/73/72/03/374737203.db2.gz BYXIGYIVXJCEQZ-UONOGXRCSA-N 2 1 298.431 -0.541 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000646070767 374739261 /nfs/dbraw/zinc/73/92/61/374739261.db2.gz XFCGFDWDLYHNRE-WOPDTQHZSA-N 2 1 255.362 -0.227 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000646242979 374762596 /nfs/dbraw/zinc/76/25/96/374762596.db2.gz PZVRNAVPEKMHHM-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP [NH3+]CCOCC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000646440844 374779199 /nfs/dbraw/zinc/77/91/99/374779199.db2.gz DYOMMORIGCIGIC-STQMWFEESA-N 2 1 285.388 -0.279 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000646575665 374790933 /nfs/dbraw/zinc/79/09/33/374790933.db2.gz RJBHSADQFZYSAB-CYBMUJFWSA-N 2 1 268.405 -0.118 20 0 CBADMP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CO1 ZINC000647179880 374890293 /nfs/dbraw/zinc/89/02/93/374890293.db2.gz UPFJATFKOUGFQU-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000646918527 374842061 /nfs/dbraw/zinc/84/20/61/374842061.db2.gz YIOFQLCOINWEDO-IHRRRGAJSA-N 2 1 278.400 -0.461 20 0 CBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000646918527 374842067 /nfs/dbraw/zinc/84/20/67/374842067.db2.gz YIOFQLCOINWEDO-IHRRRGAJSA-N 2 1 278.400 -0.461 20 0 CBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000646918527 374842070 /nfs/dbraw/zinc/84/20/70/374842070.db2.gz YIOFQLCOINWEDO-IHRRRGAJSA-N 2 1 278.400 -0.461 20 0 CBADMP COC(=O)CC1([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000574577143 335031279 /nfs/dbraw/zinc/03/12/79/335031279.db2.gz YDQMHWGSUGUCMX-UHFFFAOYSA-N 2 1 283.372 -0.164 20 0 CBADMP CC[N@H+](C)CCNC(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC000262359125 190053277 /nfs/dbraw/zinc/05/32/77/190053277.db2.gz KDSBJODTZFEUGR-LLVKDONJSA-N 2 1 253.350 -0.252 20 0 CBADMP CC[N@@H+](C)CCNC(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC000262359125 190053278 /nfs/dbraw/zinc/05/32/78/190053278.db2.gz KDSBJODTZFEUGR-LLVKDONJSA-N 2 1 253.350 -0.252 20 0 CBADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1C ZINC000356873183 248296496 /nfs/dbraw/zinc/29/64/96/248296496.db2.gz GHTXGUMVGPGQHQ-RDBSUJKOSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1C ZINC000356873183 248296502 /nfs/dbraw/zinc/29/65/02/248296502.db2.gz GHTXGUMVGPGQHQ-RDBSUJKOSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC[NH+]1C ZINC000356873183 248296506 /nfs/dbraw/zinc/29/65/06/248296506.db2.gz GHTXGUMVGPGQHQ-RDBSUJKOSA-N 2 1 280.416 -0.073 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000357025513 248310979 /nfs/dbraw/zinc/31/09/79/248310979.db2.gz HKINLGVLGLYAQS-CYBMUJFWSA-N 2 1 285.388 -0.468 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000357243077 248337761 /nfs/dbraw/zinc/33/77/61/248337761.db2.gz PYLFDCUVCVZTLT-NWDGAFQWSA-N 2 1 271.361 -0.798 20 0 CBADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N1CCNC(=O)C1 ZINC000358518777 248501533 /nfs/dbraw/zinc/50/15/33/248501533.db2.gz RRFITOCEMRHIFZ-UHFFFAOYSA-N 2 1 280.372 -0.980 20 0 CBADMP C[NH2+]CC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000361718161 248643671 /nfs/dbraw/zinc/64/36/71/248643671.db2.gz LWXVDGMDJZTSAC-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP CCNS(=O)(=O)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000346969038 218072494 /nfs/dbraw/zinc/07/24/94/218072494.db2.gz KBPUHPRIUKKVOI-LBPRGKRZSA-N 2 1 275.418 0.000 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278651443 194084424 /nfs/dbraw/zinc/08/44/24/194084424.db2.gz ALWDCQJETDCZCG-NSHDSACASA-N 2 1 295.387 -0.205 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000347376689 218212027 /nfs/dbraw/zinc/21/20/27/218212027.db2.gz URASQTQWCVQHQR-LBPRGKRZSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347376689 218212029 /nfs/dbraw/zinc/21/20/29/218212029.db2.gz URASQTQWCVQHQR-LBPRGKRZSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000347376689 218212031 /nfs/dbraw/zinc/21/20/31/218212031.db2.gz URASQTQWCVQHQR-LBPRGKRZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H](NC(=O)[C@H]([NH3+])CC(N)=O)C(C)(C)C[NH+](C)C ZINC000353699431 220264272 /nfs/dbraw/zinc/26/42/72/220264272.db2.gz HEDCYVIZFMZSIL-DTWKUNHWSA-N 2 1 258.366 -0.718 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)C[NH3+])[C@H](C)C1 ZINC000347651331 218306240 /nfs/dbraw/zinc/30/62/40/218306240.db2.gz RHLMUSCRPYUWRH-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CCC[N@H+]1C ZINC000347767403 218348787 /nfs/dbraw/zinc/34/87/87/218348787.db2.gz UTOCKTPUKKLIFT-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CCC[N@H+]1C ZINC000347767404 218350162 /nfs/dbraw/zinc/35/01/62/218350162.db2.gz UTOCKTPUKKLIFT-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000353711552 220274130 /nfs/dbraw/zinc/27/41/30/220274130.db2.gz PRLPOFAQPGOSMV-NWDGAFQWSA-N 2 1 282.388 -0.477 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000168028430 207398217 /nfs/dbraw/zinc/39/82/17/207398217.db2.gz BYQQQCIYBXTMNY-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000168939576 207399944 /nfs/dbraw/zinc/39/99/44/207399944.db2.gz RCTMLYYVXFODFL-QWHCGFSZSA-N 2 1 285.388 -0.408 20 0 CBADMP CC(C)[C@H](CNC(=O)NCCC[NH3+])[NH+]1CCOCC1 ZINC000416934927 207551856 /nfs/dbraw/zinc/55/18/56/207551856.db2.gz FJFKRXYOSGHEOF-LBPRGKRZSA-N 2 1 272.393 -0.009 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418294925 207575236 /nfs/dbraw/zinc/57/52/36/207575236.db2.gz DHZSHPNNQCOHJM-GFCCVEGCSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC(F)(F)C[NH3+] ZINC000418514888 207591936 /nfs/dbraw/zinc/59/19/36/207591936.db2.gz PGOMMJBMUFEPES-HTQZYQBOSA-N 2 1 250.293 -0.122 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430905116 285020323 /nfs/dbraw/zinc/02/03/23/285020323.db2.gz WTRGCUGZXPEUPC-OLZOCXBDSA-N 2 1 285.388 -0.408 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C(C)C ZINC000419973944 207769005 /nfs/dbraw/zinc/76/90/05/207769005.db2.gz JSMFEBDFAVAHHJ-LBPRGKRZSA-N 2 1 286.420 -0.068 20 0 CBADMP COC[C@@]1(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000423404671 207896717 /nfs/dbraw/zinc/89/67/17/207896717.db2.gz XNZHJNOWVSRMKD-DZGCQCFKSA-N 2 1 299.415 -0.303 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000427270793 208058365 /nfs/dbraw/zinc/05/83/65/208058365.db2.gz XZCJLJPGXDTFKU-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428037208 208076629 /nfs/dbraw/zinc/07/66/29/208076629.db2.gz JHDHHVFPYCGNCD-RYUDHWBXSA-N 2 1 275.418 -0.048 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428037208 208076633 /nfs/dbraw/zinc/07/66/33/208076633.db2.gz JHDHHVFPYCGNCD-RYUDHWBXSA-N 2 1 275.418 -0.048 20 0 CBADMP CC[C@@H]1CN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000428086311 208076644 /nfs/dbraw/zinc/07/66/44/208076644.db2.gz BCIIOVKLXFLWRK-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[C@@H]1CN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000428086311 208076649 /nfs/dbraw/zinc/07/66/49/208076649.db2.gz BCIIOVKLXFLWRK-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CNC(=O)CC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429676546 208127479 /nfs/dbraw/zinc/12/74/79/208127479.db2.gz REXRFNMZGNUBHH-UHFFFAOYSA-N 2 1 270.377 -0.782 20 0 CBADMP CNC(=O)CC[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429676546 208127483 /nfs/dbraw/zinc/12/74/83/208127483.db2.gz REXRFNMZGNUBHH-UHFFFAOYSA-N 2 1 270.377 -0.782 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(CO)CC2)CC1 ZINC000429677764 208127843 /nfs/dbraw/zinc/12/78/43/208127843.db2.gz YQYIAUPNEMSSAW-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000428981221 208106119 /nfs/dbraw/zinc/10/61/19/208106119.db2.gz QCTOGZPLDXBOJO-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000429082718 208107433 /nfs/dbraw/zinc/10/74/33/208107433.db2.gz QPORLDSWOHVMDB-LBPRGKRZSA-N 2 1 254.378 -0.426 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000430710417 208171684 /nfs/dbraw/zinc/17/16/84/208171684.db2.gz AMZOCTDKQGEPDD-QWHCGFSZSA-N 2 1 285.388 -0.408 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C[C@@H]1C ZINC000430709425 208173159 /nfs/dbraw/zinc/17/31/59/208173159.db2.gz XOKJKQTYDOTJKY-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C[C@@H]1C ZINC000430709425 208173163 /nfs/dbraw/zinc/17/31/63/208173163.db2.gz XOKJKQTYDOTJKY-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)C[C@@H]2C[NH2+]CCO2)n1C ZINC000430718551 208175881 /nfs/dbraw/zinc/17/58/81/208175881.db2.gz GUKGTPRPJZDSKG-LLVKDONJSA-N 2 1 281.360 -0.519 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000430729635 208174386 /nfs/dbraw/zinc/17/43/86/208174386.db2.gz HBETUTMURFCMCY-NWDGAFQWSA-N 2 1 271.361 -0.798 20 0 CBADMP CCOCC[N@@H+]1CCN(C(=O)COC2C[NH2+]C2)C[C@@H]1CC ZINC000430717829 208176323 /nfs/dbraw/zinc/17/63/23/208176323.db2.gz BITRIGRWWRNIQW-ZDUSSCGKSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)COC2C[NH2+]C2)C[C@@H]1CC ZINC000430717829 208176327 /nfs/dbraw/zinc/17/63/27/208176327.db2.gz BITRIGRWWRNIQW-ZDUSSCGKSA-N 2 1 299.415 -0.066 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000430724349 208176425 /nfs/dbraw/zinc/17/64/25/208176425.db2.gz VGEVMCNSCYBNEG-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C[C@@H]1C ZINC000430720980 208176622 /nfs/dbraw/zinc/17/66/22/208176622.db2.gz NZESKUYIOMWCAR-OBJOEFQTSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C[C@@H]1C ZINC000430720980 208176629 /nfs/dbraw/zinc/17/66/29/208176629.db2.gz NZESKUYIOMWCAR-OBJOEFQTSA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000430732322 208177705 /nfs/dbraw/zinc/17/77/05/208177705.db2.gz OZMWDHSFMBIHIO-LBPRGKRZSA-N 2 1 255.362 -0.177 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C2CC[NH2+]CC2)CC1 ZINC000430762491 208177759 /nfs/dbraw/zinc/17/77/59/208177759.db2.gz YWSVUKXPLADVFE-UHFFFAOYSA-N 2 1 282.388 -0.734 20 0 CBADMP CC(C)[C@@H](CNC(=O)COC1C[NH2+]C1)[NH+]1CCOCC1 ZINC000430739812 208178685 /nfs/dbraw/zinc/17/86/85/208178685.db2.gz FGGVRQITEJDBGP-CYBMUJFWSA-N 2 1 285.388 -0.552 20 0 CBADMP C[C@@]1(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000430892995 208187017 /nfs/dbraw/zinc/18/70/17/208187017.db2.gz HKSRQXNSBPHIPA-IUODEOHRSA-N 2 1 296.415 -0.310 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CCC[NH3+])C1 ZINC000430897731 208190257 /nfs/dbraw/zinc/19/02/57/208190257.db2.gz QKHVQFPJPOGZKK-NSHDSACASA-N 2 1 270.377 -0.571 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000430903281 208190517 /nfs/dbraw/zinc/19/05/17/208190517.db2.gz HDDQHLYJSRVGSG-WDEREUQCSA-N 2 1 268.361 -0.948 20 0 CBADMP CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430901463 208190548 /nfs/dbraw/zinc/19/05/48/208190548.db2.gz USKLPKBIUDVLIY-NEPJUHHUSA-N 2 1 253.346 -0.330 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430947346 208193045 /nfs/dbraw/zinc/19/30/45/208193045.db2.gz DIIIEGUSLQOWDY-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430947346 208193049 /nfs/dbraw/zinc/19/30/49/208193049.db2.gz DIIIEGUSLQOWDY-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430931354 208193148 /nfs/dbraw/zinc/19/31/48/208193148.db2.gz BOXIJEZNBDNCFE-OLZOCXBDSA-N 2 1 268.405 -0.180 20 0 CBADMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430931354 208193151 /nfs/dbraw/zinc/19/31/51/208193151.db2.gz BOXIJEZNBDNCFE-OLZOCXBDSA-N 2 1 268.405 -0.180 20 0 CBADMP C[NH2+]CCCC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000431016947 208198045 /nfs/dbraw/zinc/19/80/45/208198045.db2.gz LWXLEGDHASDDAU-ZDUSSCGKSA-N 2 1 270.421 -0.014 20 0 CBADMP C[N@@H+](CCNC(=O)C[NH2+]C[C@H]1CCCO1)C1CC1 ZINC000431045555 208201130 /nfs/dbraw/zinc/20/11/30/208201130.db2.gz QEHXPAIUSGHZNL-GFCCVEGCSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H](CNC(=O)COC1C[NH2+]C1)C[NH+]1CCOCC1 ZINC000431042551 208201239 /nfs/dbraw/zinc/20/12/39/208201239.db2.gz IONVNWIQWDBIBS-NSHDSACASA-N 2 1 271.361 -0.941 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433375256 208244899 /nfs/dbraw/zinc/24/48/99/208244899.db2.gz HCZPYJGXSJVWDX-RYUDHWBXSA-N 2 1 292.387 -0.116 20 0 CBADMP Cn1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c(=O)n(C)c1=O ZINC000435445180 208279456 /nfs/dbraw/zinc/27/94/56/208279456.db2.gz CVZLCZNLWYAWET-LBPRGKRZSA-N 2 1 280.372 -0.342 20 0 CBADMP C[C@@H]([NH3+])CCC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000434692164 208265648 /nfs/dbraw/zinc/26/56/48/208265648.db2.gz WFVLSWIFXRJPIN-MNOVXSKESA-N 2 1 270.377 -0.430 20 0 CBADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)(C)n1cncn1 ZINC000438822863 208311806 /nfs/dbraw/zinc/31/18/06/208311806.db2.gz ATUYVFVGVAWCSR-GHMZBOCLSA-N 2 1 255.366 -0.086 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCN1CCOCC1 ZINC000436055473 208288053 /nfs/dbraw/zinc/28/80/53/208288053.db2.gz BKDJHSNTGXUKFP-CQSZACIVSA-N 2 1 298.431 -0.362 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCCO)CC1 ZINC000440966908 208348088 /nfs/dbraw/zinc/34/80/88/208348088.db2.gz VXEFIVJIDFOSHI-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP COCCCS(=O)(=O)NCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442757381 208365917 /nfs/dbraw/zinc/36/59/17/208365917.db2.gz GMGBCIYZAUIDHT-NWDGAFQWSA-N 2 1 293.433 -0.389 20 0 CBADMP COCCCS(=O)(=O)NCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442757381 208365921 /nfs/dbraw/zinc/36/59/21/208365921.db2.gz GMGBCIYZAUIDHT-NWDGAFQWSA-N 2 1 293.433 -0.389 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCCCN1CCCC1=O ZINC000442767785 208366022 /nfs/dbraw/zinc/36/60/22/208366022.db2.gz ROAZVQCBSXUNJT-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000442767785 208366025 /nfs/dbraw/zinc/36/60/25/208366025.db2.gz ROAZVQCBSXUNJT-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)NC(N)=O ZINC000441259804 208349282 /nfs/dbraw/zinc/34/92/82/208349282.db2.gz MCEDVZAQMWCUFP-IJLUTSLNSA-N 2 1 298.387 -0.245 20 0 CBADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000443059069 208377946 /nfs/dbraw/zinc/37/79/46/208377946.db2.gz LXSVJLGKTUTRCR-CYBMUJFWSA-N 2 1 296.415 -0.214 20 0 CBADMP CC[NH+]1CCC(CCNC(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353725552 220284113 /nfs/dbraw/zinc/28/41/13/220284113.db2.gz PSWJHAGQDPMATP-NSHDSACASA-N 2 1 270.377 -0.573 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000574857918 335052476 /nfs/dbraw/zinc/05/24/76/335052476.db2.gz KLDZGWZOGRVEAC-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000348989524 285264483 /nfs/dbraw/zinc/26/44/83/285264483.db2.gz JNEIKZARZJBXMB-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354714734 220899713 /nfs/dbraw/zinc/89/97/13/220899713.db2.gz OWOPSNVBKLXZCX-GFCCVEGCSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000655164638 413030209 /nfs/dbraw/zinc/03/02/09/413030209.db2.gz SNNPKVCPIOLYLS-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000423438369 285319952 /nfs/dbraw/zinc/31/99/52/285319952.db2.gz UYCJGPTUWSFYAS-CYBMUJFWSA-N 2 1 282.432 -0.014 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000575046102 335058479 /nfs/dbraw/zinc/05/84/79/335058479.db2.gz BWPYAOFFLLHMIT-QWHCGFSZSA-N 2 1 260.378 -0.324 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000575046101 335058564 /nfs/dbraw/zinc/05/85/64/335058564.db2.gz BWPYAOFFLLHMIT-CHWSQXEVSA-N 2 1 260.378 -0.324 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000575046902 335058698 /nfs/dbraw/zinc/05/86/98/335058698.db2.gz UZPAWJRIZNJECS-WDEREUQCSA-N 2 1 298.387 -0.482 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000575046902 335058699 /nfs/dbraw/zinc/05/86/99/335058699.db2.gz UZPAWJRIZNJECS-WDEREUQCSA-N 2 1 298.387 -0.482 20 0 CBADMP CCN1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@@H](C)C1=O ZINC000414743809 285323145 /nfs/dbraw/zinc/32/31/45/285323145.db2.gz PAVZEAOSJUNLBS-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN1CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@@H](C)C1=O ZINC000414743809 285323151 /nfs/dbraw/zinc/32/31/51/285323151.db2.gz PAVZEAOSJUNLBS-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000575060827 335060683 /nfs/dbraw/zinc/06/06/83/335060683.db2.gz OIBNFBNJIPXTNE-VXGBXAGGSA-N 2 1 254.378 -0.428 20 0 CBADMP COC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000361814167 285342607 /nfs/dbraw/zinc/34/26/07/285342607.db2.gz NAYOPHSKVSKEQY-SRVKXCTJSA-N 2 1 270.377 -0.002 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000575073570 335062279 /nfs/dbraw/zinc/06/22/79/335062279.db2.gz JGSFLLDZVNSIOB-NSHDSACASA-N 2 1 279.344 -0.824 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@]1(C)CCC(=O)N1)C1CC1 ZINC000575117398 335068232 /nfs/dbraw/zinc/06/82/32/335068232.db2.gz MPOQBOJRCHRMGN-AAEUAGOBSA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@]1(C)CCC(=O)N1)C1CC1 ZINC000575117398 335068233 /nfs/dbraw/zinc/06/82/33/335068233.db2.gz MPOQBOJRCHRMGN-AAEUAGOBSA-N 2 1 255.362 -0.300 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417748422 292336568 /nfs/dbraw/zinc/33/65/68/292336568.db2.gz IEUSGEBIPLQBTK-NSHDSACASA-N 2 1 260.382 -0.151 20 0 CBADMP COCCC[N@H+]1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000364880880 292351110 /nfs/dbraw/zinc/35/11/10/292351110.db2.gz MHJNRAIONAWVAM-UHFFFAOYSA-N 2 1 255.362 -0.223 20 0 CBADMP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351860639 292373732 /nfs/dbraw/zinc/37/37/32/292373732.db2.gz GZMUAJBOJZPJMV-RYUDHWBXSA-N 2 1 293.433 -0.389 20 0 CBADMP COCCCS(=O)(=O)NCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351860639 292373734 /nfs/dbraw/zinc/37/37/34/292373734.db2.gz GZMUAJBOJZPJMV-RYUDHWBXSA-N 2 1 293.433 -0.389 20 0 CBADMP C[C@@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[C@H](C)[NH3+] ZINC000377305098 286750836 /nfs/dbraw/zinc/75/08/36/286750836.db2.gz CFTMTAYIBPDACR-GRYCIOLGSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000407955780 287087029 /nfs/dbraw/zinc/08/70/29/287087029.db2.gz IVRMHTAQTBAFMR-GFCCVEGCSA-N 2 1 258.362 -0.474 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000418423183 287089943 /nfs/dbraw/zinc/08/99/43/287089943.db2.gz FKHOWHZPXXWUMB-WDEREUQCSA-N 2 1 272.393 -0.180 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188074167 287270931 /nfs/dbraw/zinc/27/09/31/287270931.db2.gz LWODGNCHOSKBIQ-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662747175 413992059 /nfs/dbraw/zinc/99/20/59/413992059.db2.gz UMGFQEZKQDMJQG-IJLUTSLNSA-N 2 1 255.362 -0.192 20 0 CBADMP CN(C(=O)[C@H]1CC[NH2+]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900988 414059118 /nfs/dbraw/zinc/05/91/18/414059118.db2.gz QZRLBFKHDNZHCV-UONOGXRCSA-N 2 1 280.416 -0.025 20 0 CBADMP CN(C(=O)[C@H]1CC[NH2+]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900988 414059126 /nfs/dbraw/zinc/05/91/26/414059126.db2.gz QZRLBFKHDNZHCV-UONOGXRCSA-N 2 1 280.416 -0.025 20 0 CBADMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCCCO1 ZINC000038031391 174026042 /nfs/dbraw/zinc/02/60/42/174026042.db2.gz PQUOFURFMPXWLX-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCCCO1 ZINC000038031391 174026044 /nfs/dbraw/zinc/02/60/44/174026044.db2.gz PQUOFURFMPXWLX-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP CN1CC[NH+](CCCNC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042171269 174651458 /nfs/dbraw/zinc/65/14/58/174651458.db2.gz QACWFBDFBVSNPY-ZDUSSCGKSA-N 2 1 268.405 -0.118 20 0 CBADMP C[N@@H+](CCNC(=O)CN1CC[NH2+]CC1)C1CCCC1 ZINC000071378712 176143365 /nfs/dbraw/zinc/14/33/65/176143365.db2.gz XDKYNZNLSPWWRF-UHFFFAOYSA-N 2 1 268.405 -0.118 20 0 CBADMP CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000356096827 228119289 /nfs/dbraw/zinc/11/92/89/228119289.db2.gz NYSHKZRZGBSJAC-LBPRGKRZSA-N 2 1 271.409 -0.565 20 0 CBADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000073433716 544422573 /nfs/dbraw/zinc/42/25/73/544422573.db2.gz ASPUNBNTOLYJJT-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000367159414 228151607 /nfs/dbraw/zinc/15/16/07/228151607.db2.gz NXAYGKMSQCYTPW-AWEZNQCLSA-N 2 1 280.416 -0.071 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000091300594 544439999 /nfs/dbraw/zinc/43/99/99/544439999.db2.gz MRGSJSKGTZWWNS-KGLIPLIRSA-N 2 1 297.399 -0.312 20 0 CBADMP CC(C)[C@H](CNC(=O)COCC[NH3+])N1CC[NH+](C)CC1 ZINC000093231847 544444394 /nfs/dbraw/zinc/44/43/94/544444394.db2.gz FTUDYRNYYVJFSB-ZDUSSCGKSA-N 2 1 286.420 -0.650 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000223427906 544491739 /nfs/dbraw/zinc/49/17/39/544491739.db2.gz UZFHGGAXSYTRIJ-TUAOUCFPSA-N 2 1 254.378 -0.524 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000232115388 544501967 /nfs/dbraw/zinc/50/19/67/544501967.db2.gz RGEAUFYFVUIBMK-STQMWFEESA-N 2 1 285.388 -0.327 20 0 CBADMP C[C@H](NC(=O)NCC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000133913191 544461642 /nfs/dbraw/zinc/46/16/42/544461642.db2.gz BGJHLZKGQFAFOF-QWRGUYRKSA-N 2 1 258.366 -0.434 20 0 CBADMP C[C@H](NC(=O)NCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000133913191 544461645 /nfs/dbraw/zinc/46/16/45/544461645.db2.gz BGJHLZKGQFAFOF-QWRGUYRKSA-N 2 1 258.366 -0.434 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000167660047 544479490 /nfs/dbraw/zinc/47/94/90/544479490.db2.gz IVGKYPYKEBIEEY-QWHCGFSZSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)[NH3+])CC1=O ZINC000194931277 544487399 /nfs/dbraw/zinc/48/73/99/544487399.db2.gz HRVOQRLKMSYCHA-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP CN(C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333729391 544545465 /nfs/dbraw/zinc/54/54/65/544545465.db2.gz HPXLAXPLSOJONC-RDBSUJKOSA-N 2 1 296.415 -0.023 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000236898700 544507587 /nfs/dbraw/zinc/50/75/87/544507587.db2.gz XMSCCSCGJSTZBZ-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000236898700 544507591 /nfs/dbraw/zinc/50/75/91/544507591.db2.gz XMSCCSCGJSTZBZ-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP C[NH+]1CCN(C(=O)CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000250422496 544513789 /nfs/dbraw/zinc/51/37/89/544513789.db2.gz ZOYDAKCJYGVFOE-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCN(C(=O)CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250422496 544513795 /nfs/dbraw/zinc/51/37/95/544513795.db2.gz ZOYDAKCJYGVFOE-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CN1CCOCC1 ZINC000250987908 544514862 /nfs/dbraw/zinc/51/48/62/544514862.db2.gz CBQJMKPFAQIDAY-QLFBSQMISA-N 2 1 283.416 -0.104 20 0 CBADMP Cc1[nH+]ccn1CC[N@H+](CCO)CCN1CCOCC1 ZINC000342602773 544552492 /nfs/dbraw/zinc/55/24/92/544552492.db2.gz BKZBZEQMAHQPBG-UHFFFAOYSA-N 2 1 282.388 -0.182 20 0 CBADMP Cc1[nH+]ccn1CC[N@@H+](CCO)CCN1CCOCC1 ZINC000342602773 544552498 /nfs/dbraw/zinc/55/24/98/544552498.db2.gz BKZBZEQMAHQPBG-UHFFFAOYSA-N 2 1 282.388 -0.182 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000037643513 419411084 /nfs/dbraw/zinc/41/10/84/419411084.db2.gz AMGHXVYJRUEFOQ-GFCCVEGCSA-N 2 1 254.378 -0.650 20 0 CBADMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCCO1 ZINC000038031390 419412522 /nfs/dbraw/zinc/41/25/22/419412522.db2.gz PQUOFURFMPXWLX-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCCO1 ZINC000038031390 419412534 /nfs/dbraw/zinc/41/25/34/419412534.db2.gz PQUOFURFMPXWLX-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP CO[C@]1(CO)CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000661386824 419491998 /nfs/dbraw/zinc/49/19/98/419491998.db2.gz FDVMKLBOCYXBFW-OAHLLOKOSA-N 2 1 299.415 -0.376 20 0 CBADMP CO[C@]1(CO)CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000661386824 419492006 /nfs/dbraw/zinc/49/20/06/419492006.db2.gz FDVMKLBOCYXBFW-OAHLLOKOSA-N 2 1 299.415 -0.376 20 0 CBADMP C[NH2+]CCC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000043604789 419428338 /nfs/dbraw/zinc/42/83/38/419428338.db2.gz KIPZRMWXFGYYKJ-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1C[NH2+]CCO1 ZINC000043708711 419429071 /nfs/dbraw/zinc/42/90/71/419429071.db2.gz QDOWETVYWAKBNI-SRVKXCTJSA-N 2 1 253.346 -0.282 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](CCO)C[C@@H]1C ZINC000660761447 419434623 /nfs/dbraw/zinc/43/46/23/419434623.db2.gz YVFVMAFWXJMDIM-KBPBESRZSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@H+](CCO)C[C@@H]1C ZINC000660761447 419434631 /nfs/dbraw/zinc/43/46/31/419434631.db2.gz YVFVMAFWXJMDIM-KBPBESRZSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@@H+](CCO)C[C@@H]1C ZINC000660761447 419434638 /nfs/dbraw/zinc/43/46/38/419434638.db2.gz YVFVMAFWXJMDIM-KBPBESRZSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(N)=O ZINC000053298920 419458280 /nfs/dbraw/zinc/45/82/80/419458280.db2.gz QVTQGYTZVXZOKW-UHFFFAOYSA-N 2 1 256.350 -0.996 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@H+](C)CCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000071150122 419465714 /nfs/dbraw/zinc/46/57/14/419465714.db2.gz HNQWPUCKRDWBHR-ZIAGYGMSSA-N 2 1 298.431 -0.541 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000071150122 419465722 /nfs/dbraw/zinc/46/57/22/419465722.db2.gz HNQWPUCKRDWBHR-ZIAGYGMSSA-N 2 1 298.431 -0.541 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)C1CCC1 ZINC000661153625 419474473 /nfs/dbraw/zinc/47/44/73/419474473.db2.gz LDBHJNYLVBAHBW-OLZOCXBDSA-N 2 1 260.378 -0.324 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)C1CCC1 ZINC000661153625 419474486 /nfs/dbraw/zinc/47/44/86/419474486.db2.gz LDBHJNYLVBAHBW-OLZOCXBDSA-N 2 1 260.378 -0.324 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)CN1CC[C@@]2(O)C[C@H]2C1 ZINC000661723929 419522440 /nfs/dbraw/zinc/52/24/40/419522440.db2.gz ZBLPNDPWSMVEBV-YNEHKIRRSA-N 2 1 258.362 -0.618 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@]2(O)C[C@H]2C1 ZINC000661723929 419522444 /nfs/dbraw/zinc/52/24/44/419522444.db2.gz ZBLPNDPWSMVEBV-YNEHKIRRSA-N 2 1 258.362 -0.618 20 0 CBADMP Cc1ccc(NCCCNC(=O)CN2CC[NH2+]CC2)[nH+]c1 ZINC000638114589 419526847 /nfs/dbraw/zinc/52/68/47/419526847.db2.gz ALPQZNLDKUREBL-UHFFFAOYSA-N 2 1 291.399 0.213 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394372383 544578682 /nfs/dbraw/zinc/57/86/82/544578682.db2.gz LGKRFLLNZCAOSP-NEPJUHHUSA-N 2 1 254.378 -0.524 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC3(COC3)C2)CC1 ZINC000662072736 419545992 /nfs/dbraw/zinc/54/59/92/419545992.db2.gz OHHWBURHBGJXSX-UHFFFAOYSA-N 2 1 267.373 -0.127 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC3(COC3)C2)CC1 ZINC000662072736 419545998 /nfs/dbraw/zinc/54/59/98/419545998.db2.gz OHHWBURHBGJXSX-UHFFFAOYSA-N 2 1 267.373 -0.127 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CCC([NH+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000662150678 419549863 /nfs/dbraw/zinc/54/98/63/419549863.db2.gz ACHBBNZUTMXBBI-CVEARBPZSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+](C[C@H](O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000662150678 419549869 /nfs/dbraw/zinc/54/98/69/419549869.db2.gz ACHBBNZUTMXBBI-CVEARBPZSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+](C[C@H](O)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000662150678 419549874 /nfs/dbraw/zinc/54/98/74/419549874.db2.gz ACHBBNZUTMXBBI-CVEARBPZSA-N 2 1 297.443 -0.028 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000389758296 544576722 /nfs/dbraw/zinc/57/67/22/544576722.db2.gz SAJSAWKQLXEOGF-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CCOC[C@@H](O)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662157734 419551477 /nfs/dbraw/zinc/55/14/77/419551477.db2.gz PWLJLTVAALGQGM-KGLIPLIRSA-N 2 1 272.389 -0.085 20 0 CBADMP Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)[nH]1 ZINC000662243673 419556791 /nfs/dbraw/zinc/55/67/91/419556791.db2.gz OGDHWHXTKMDNAK-GXSJLCMTSA-N 2 1 280.376 -0.039 20 0 CBADMP Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)[nH]1 ZINC000662243673 419556796 /nfs/dbraw/zinc/55/67/96/419556796.db2.gz OGDHWHXTKMDNAK-GXSJLCMTSA-N 2 1 280.376 -0.039 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000389757148 544577324 /nfs/dbraw/zinc/57/73/24/544577324.db2.gz RRNGXKRQBURMGT-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000389757153 544577669 /nfs/dbraw/zinc/57/76/69/544577669.db2.gz RRNGXKRQBURMGT-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)[N@@H+](C)C1CC1 ZINC000219946106 419564590 /nfs/dbraw/zinc/56/45/90/419564590.db2.gz ACFPTNQAVVFHKA-VIFPVBQESA-N 2 1 266.349 -0.551 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H]1CNCCO1 ZINC000662272208 419566067 /nfs/dbraw/zinc/56/60/67/419566067.db2.gz MDEAPXBSDGFWBV-CHWSQXEVSA-N 2 1 284.404 -0.706 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1C[C@H]1CNCCO1 ZINC000662272208 419566074 /nfs/dbraw/zinc/56/60/74/419566074.db2.gz MDEAPXBSDGFWBV-CHWSQXEVSA-N 2 1 284.404 -0.706 20 0 CBADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259335 419567008 /nfs/dbraw/zinc/56/70/08/419567008.db2.gz VDOCUWHQXKEXFG-WDEREUQCSA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1CCCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000647705795 419632895 /nfs/dbraw/zinc/63/28/95/419632895.db2.gz NSIPEIMVIUDADA-STQMWFEESA-N 2 1 268.405 -0.119 20 0 CBADMP COC[C@]1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC[NH2+]C1 ZINC000394396603 544580442 /nfs/dbraw/zinc/58/04/42/544580442.db2.gz BPTBZFSFQHZWFA-ZFWWWQNUSA-N 2 1 296.415 -0.881 20 0 CBADMP CC(C)[NH2+]CCC(=O)NC[C@H]1CN2CCN1CCC2 ZINC000394389998 544580545 /nfs/dbraw/zinc/58/05/45/544580545.db2.gz VDRROUGGBAFQEL-ZDUSSCGKSA-N 2 1 268.405 -0.119 20 0 CBADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000662285283 419573766 /nfs/dbraw/zinc/57/37/66/419573766.db2.gz ITBJDNQMNWFFPH-KOLCDFICSA-N 2 1 295.305 -0.025 20 0 CBADMP C[N@@H+](CCNC(=O)CN1CCNCC1=O)C1CCCC1 ZINC000237142398 419575437 /nfs/dbraw/zinc/57/54/37/419575437.db2.gz IXKMCPWYIDVGKN-UHFFFAOYSA-N 2 1 282.388 -0.591 20 0 CBADMP C[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000237454251 419580836 /nfs/dbraw/zinc/58/08/36/419580836.db2.gz ZPEWPAXGGYTTJB-HIFRSBDPSA-N 2 1 282.432 -0.014 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+](C)CC(C)(C)[NH3+] ZINC000662294240 419581408 /nfs/dbraw/zinc/58/14/08/419581408.db2.gz JSQZBDANQAXTRQ-UHFFFAOYSA-N 2 1 251.396 -0.015 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000662294240 419581412 /nfs/dbraw/zinc/58/14/12/419581412.db2.gz JSQZBDANQAXTRQ-UHFFFAOYSA-N 2 1 251.396 -0.015 20 0 CBADMP C[C@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)C[NH+]1CCOCC1 ZINC000237408035 419582602 /nfs/dbraw/zinc/58/26/02/419582602.db2.gz ANGNBIYVXSRLPO-ZIAGYGMSSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1COCCO1 ZINC000662307487 419583981 /nfs/dbraw/zinc/58/39/81/419583981.db2.gz WHEJRIXLYJEADP-VXGBXAGGSA-N 2 1 256.346 -0.145 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@H]1CC12CC[NH2+]CC2 ZINC000394382414 544581953 /nfs/dbraw/zinc/58/19/53/544581953.db2.gz WFVXCQPNVSUYDC-UONOGXRCSA-N 2 1 292.427 -0.118 20 0 CBADMP CC(C)[NH2+]CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662553867 419639433 /nfs/dbraw/zinc/63/94/33/419639433.db2.gz MRLJWHUYPGNJCZ-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@]1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CCC[NH2+]C1 ZINC000394381768 544581997 /nfs/dbraw/zinc/58/19/97/544581997.db2.gz SWLUYRFYIOUCHI-UKRRQHHQSA-N 2 1 280.416 -0.118 20 0 CBADMP COC1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC[NH2+]CC1 ZINC000394406402 544582159 /nfs/dbraw/zinc/58/21/59/544582159.db2.gz LFDZATXDOXJUAE-ZDUSSCGKSA-N 2 1 296.415 -0.739 20 0 CBADMP CC[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@H]1[NH3+] ZINC000647498692 419593743 /nfs/dbraw/zinc/59/37/43/419593743.db2.gz NHNURCYSRAADGS-CMPLNLGQSA-N 2 1 280.372 -0.357 20 0 CBADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@](C)(O)CO ZINC000647527114 419603033 /nfs/dbraw/zinc/60/30/33/419603033.db2.gz IPYPQKHCSMTJKS-GJZGRUSLSA-N 2 1 282.384 -0.188 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@](C)(O)CO ZINC000647527114 419603037 /nfs/dbraw/zinc/60/30/37/419603037.db2.gz IPYPQKHCSMTJKS-GJZGRUSLSA-N 2 1 282.384 -0.188 20 0 CBADMP NC(=O)Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nn1 ZINC000647545714 419605419 /nfs/dbraw/zinc/60/54/19/419605419.db2.gz JLSKFTZUHMYSKO-NWDGAFQWSA-N 2 1 292.387 -0.415 20 0 CBADMP CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000647549465 419605966 /nfs/dbraw/zinc/60/59/66/419605966.db2.gz BWEIWMTZAJLYGF-GHMZBOCLSA-N 2 1 261.391 -0.391 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000662437959 419606904 /nfs/dbraw/zinc/60/69/04/419606904.db2.gz KSSBVXFDNPJFAC-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662439744 419608000 /nfs/dbraw/zinc/60/80/00/419608000.db2.gz SNYOSQWZDGGKGS-NSHDSACASA-N 2 1 261.366 -0.567 20 0 CBADMP CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000647549468 419608792 /nfs/dbraw/zinc/60/87/92/419608792.db2.gz BWEIWMTZAJLYGF-WDEREUQCSA-N 2 1 261.391 -0.391 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])COC(C)C)C1 ZINC000662453092 419609224 /nfs/dbraw/zinc/60/92/24/419609224.db2.gz SVOUKZWUNLRAQD-RYUDHWBXSA-N 2 1 273.377 -0.424 20 0 CBADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000662467605 419612593 /nfs/dbraw/zinc/61/25/93/419612593.db2.gz JFPDDYJAJIOLOT-STQMWFEESA-N 2 1 287.404 -0.177 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000647595160 419618943 /nfs/dbraw/zinc/61/89/43/419618943.db2.gz QXFWTSHKBWNOKP-DMDPSCGWSA-N 2 1 296.415 -0.171 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662553373 419640539 /nfs/dbraw/zinc/64/05/39/419640539.db2.gz IYNPVYPGEMHIFT-SSDOTTSWSA-N 2 1 273.287 -0.190 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000647595062 419620701 /nfs/dbraw/zinc/62/07/01/419620701.db2.gz LMNMSXAWJUUUCC-QJPTWQEYSA-N 2 1 296.415 -0.005 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](CCO)CC1 ZINC000310801908 419621279 /nfs/dbraw/zinc/62/12/79/419621279.db2.gz ARLVKHOIPVDKMZ-CYBMUJFWSA-N 2 1 259.394 -0.703 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCO)CC1 ZINC000310801908 419621285 /nfs/dbraw/zinc/62/12/85/419621285.db2.gz ARLVKHOIPVDKMZ-CYBMUJFWSA-N 2 1 259.394 -0.703 20 0 CBADMP Cc1cnn(CC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000312336855 419622960 /nfs/dbraw/zinc/62/29/60/419622960.db2.gz KDAHSZYWBVWYNY-CYBMUJFWSA-N 2 1 279.388 -0.022 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCCN2CC[NH2+]CC2)CC[N@H+]1C ZINC000647605686 419623517 /nfs/dbraw/zinc/62/35/17/419623517.db2.gz LJXRXMIHHHHSEV-CHWSQXEVSA-N 2 1 268.405 -0.262 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647828430 419664624 /nfs/dbraw/zinc/66/46/24/419664624.db2.gz CZDSGDZPPPCJTF-NWDGAFQWSA-N 3 1 254.378 -0.617 20 0 CBADMP Nc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccn1 ZINC000647828788 419664728 /nfs/dbraw/zinc/66/47/28/419664728.db2.gz FQPWTXYYXSTCMB-GFCCVEGCSA-N 2 1 277.372 -0.049 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000647828570 419666163 /nfs/dbraw/zinc/66/61/63/419666163.db2.gz MVTHAJUBIFQYBU-KBPBESRZSA-N 2 1 299.415 -0.031 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835634 419666275 /nfs/dbraw/zinc/66/62/75/419666275.db2.gz GKZLFTRGUOHESE-UHFFFAOYSA-N 2 1 292.449 -0.895 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000647836247 419667002 /nfs/dbraw/zinc/66/70/02/419667002.db2.gz VMGBXAQJALMRMR-GASCZTMLSA-N 2 1 282.432 -0.313 20 0 CBADMP C[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000647842513 419667150 /nfs/dbraw/zinc/66/71/50/419667150.db2.gz IUOHILORUCJHBH-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP C[N@@H+](CCC[NH3+])CCCN1C(=O)NC(C)(C)C1=O ZINC000647848631 419667628 /nfs/dbraw/zinc/66/76/28/419667628.db2.gz ZZFGTIJHHMQMAG-UHFFFAOYSA-N 2 1 256.350 -0.013 20 0 CBADMP C[C@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000647842514 419669867 /nfs/dbraw/zinc/66/98/67/419669867.db2.gz IUOHILORUCJHBH-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000647865211 419676699 /nfs/dbraw/zinc/67/66/99/419676699.db2.gz BQALMWXLEUPBAY-FQUUOJAGSA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000647865211 419676703 /nfs/dbraw/zinc/67/67/03/419676703.db2.gz BQALMWXLEUPBAY-FQUUOJAGSA-N 2 1 269.389 -0.102 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662681610 419682078 /nfs/dbraw/zinc/68/20/78/419682078.db2.gz KABFQUNWSVJLMS-CYBMUJFWSA-N 2 1 296.415 -0.299 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662685877 419682421 /nfs/dbraw/zinc/68/24/21/419682421.db2.gz ZYHVHEBTHDMUHS-NEPJUHHUSA-N 2 1 273.377 -0.565 20 0 CBADMP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[N@H+]1CCCC[C@@H]1C ZINC000662680380 419682711 /nfs/dbraw/zinc/68/27/11/419682711.db2.gz SURSVNILMKHMGU-QWRGUYRKSA-N 2 1 255.362 -0.300 20 0 CBADMP O=C1C[N@H+](CCN2CC[NH2+]CC2)[C@H]2CCCC[C@@H]2N1 ZINC000647882993 419682812 /nfs/dbraw/zinc/68/28/12/419682812.db2.gz YHZJQBJKMOTSFU-STQMWFEESA-N 2 1 266.389 -0.365 20 0 CBADMP O=C1C[N@@H+](CCN2CC[NH2+]CC2)[C@H]2CCCC[C@@H]2N1 ZINC000647882993 419682817 /nfs/dbraw/zinc/68/28/17/419682817.db2.gz YHZJQBJKMOTSFU-STQMWFEESA-N 2 1 266.389 -0.365 20 0 CBADMP C[C@H](CNC(=O)CC1([NH3+])CC1)C[NH+]1CCOCC1 ZINC000662699585 419689464 /nfs/dbraw/zinc/68/94/64/419689464.db2.gz CGPIGHHJKYTYSB-LLVKDONJSA-N 2 1 255.362 -0.048 20 0 CBADMP C[C@H](CNC(=O)C1(O)C[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000662698446 419689657 /nfs/dbraw/zinc/68/96/57/419689657.db2.gz MQZFDLQEYRSCGY-GFCCVEGCSA-N 2 1 289.379 -0.116 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647941201 419691251 /nfs/dbraw/zinc/69/12/51/419691251.db2.gz DOYXXYDKLATVII-STQMWFEESA-N 3 1 268.405 -0.085 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H]1CC[NH2+]C1 ZINC000647941201 419691259 /nfs/dbraw/zinc/69/12/59/419691259.db2.gz DOYXXYDKLATVII-STQMWFEESA-N 2 1 268.405 -0.085 20 0 CBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662699536 419691553 /nfs/dbraw/zinc/69/15/53/419691553.db2.gz BYSBLLRIVGLEAQ-LLVKDONJSA-N 2 1 255.362 -0.443 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662702997 419692317 /nfs/dbraw/zinc/69/23/17/419692317.db2.gz GCLZKQZCAAEKSI-MNOVXSKESA-N 2 1 259.350 -0.955 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000662702315 419693579 /nfs/dbraw/zinc/69/35/79/419693579.db2.gz YLGKGTXOFYARTK-AGIUHOORSA-N 2 1 285.388 -0.565 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000662702845 419693739 /nfs/dbraw/zinc/69/37/39/419693739.db2.gz NWBUVHYNCNTJQP-USWWRNFRSA-N 2 1 253.346 -0.297 20 0 CBADMP CC[C@H]1C[N@@H+](CCCS(=O)(=O)NC)CC[C@H]1[NH3+] ZINC000647936311 419694016 /nfs/dbraw/zinc/69/40/16/419694016.db2.gz BEWRMBSUOLEIOA-WDEREUQCSA-N 2 1 263.407 -0.015 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000662704233 419694694 /nfs/dbraw/zinc/69/46/94/419694694.db2.gz XAQUPDSBKHADQU-VXGBXAGGSA-N 2 1 256.394 -0.134 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000662703600 419695212 /nfs/dbraw/zinc/69/52/12/419695212.db2.gz MLJABGLQGOVIAW-SCRDCRAPSA-N 2 1 267.373 -0.177 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000662704231 419695297 /nfs/dbraw/zinc/69/52/97/419695297.db2.gz XAQUPDSBKHADQU-NWDGAFQWSA-N 2 1 256.394 -0.134 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000662703901 419695584 /nfs/dbraw/zinc/69/55/84/419695584.db2.gz QBQLLIAMBCNDCG-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662713219 419697559 /nfs/dbraw/zinc/69/75/59/419697559.db2.gz VVDTYPJZYHTWPB-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000662717543 419697595 /nfs/dbraw/zinc/69/75/95/419697595.db2.gz OTWYRXIKYDUAKZ-SRVKXCTJSA-N 2 1 255.362 -0.348 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662721164 419701037 /nfs/dbraw/zinc/70/10/37/419701037.db2.gz KNVFCPZPOLVEPU-SRVKXCTJSA-N 2 1 271.361 -0.813 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339629903 419703669 /nfs/dbraw/zinc/70/36/69/419703669.db2.gz DTKWUEASGHPFCR-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C)C(=O)[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCN1 ZINC000647989965 419704085 /nfs/dbraw/zinc/70/40/85/419704085.db2.gz KTJJUPSSGNOCRG-CYBMUJFWSA-N 2 1 268.405 -0.262 20 0 CBADMP O=C1NC[C@@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCN2C1=O ZINC000647990918 419704134 /nfs/dbraw/zinc/70/41/34/419704134.db2.gz VENUJLMOKHQXAZ-CYBMUJFWSA-N 2 1 294.399 -0.591 20 0 CBADMP C[C@H](CNC(=O)C1(O)C[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000662731089 419707756 /nfs/dbraw/zinc/70/77/56/419707756.db2.gz XYRMXWGYVNHBFT-GFCCVEGCSA-N 2 1 277.368 -0.043 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[N@H+]1C1CC1 ZINC000647995925 419708344 /nfs/dbraw/zinc/70/83/44/419708344.db2.gz BQXQBISPZGVBCH-XWUBHJNHSA-N 2 1 296.415 -0.072 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC2)C1 ZINC000662760511 419710336 /nfs/dbraw/zinc/71/03/36/419710336.db2.gz WROHEQWDCHBRRL-MGPQQGTHSA-N 2 1 280.416 -0.038 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000662755950 419711003 /nfs/dbraw/zinc/71/10/03/419711003.db2.gz DNLJJQBAPRCJFG-JHJVBQTASA-N 2 1 268.405 -0.277 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[N@H+]1C ZINC000647728223 419643413 /nfs/dbraw/zinc/64/34/13/419643413.db2.gz NBKKCRLNLMBEAI-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662621933 419654847 /nfs/dbraw/zinc/65/48/47/419654847.db2.gz MFQDOTVYAZMFML-NEPJUHHUSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662794504 419726702 /nfs/dbraw/zinc/72/67/02/419726702.db2.gz RDUPSCHBRQFSEV-TZMCWYRMSA-N 2 1 289.379 -0.043 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662820625 419736901 /nfs/dbraw/zinc/73/69/01/419736901.db2.gz VDIWIHQKDAQEEZ-CHWSQXEVSA-N 2 1 299.415 -0.081 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662831994 419740046 /nfs/dbraw/zinc/74/00/46/419740046.db2.gz HXQCCOXSOZSYJL-DGTMBMJNSA-N 2 1 299.415 -0.036 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662831994 419740052 /nfs/dbraw/zinc/74/00/52/419740052.db2.gz HXQCCOXSOZSYJL-DGTMBMJNSA-N 2 1 299.415 -0.036 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662836963 419743285 /nfs/dbraw/zinc/74/32/85/419743285.db2.gz FCEVSDWCVBNOSB-MNOVXSKESA-N 2 1 268.361 -0.806 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662845224 419745847 /nfs/dbraw/zinc/74/58/47/419745847.db2.gz FUQLVKCEMXLBLC-VXGBXAGGSA-N 2 1 282.388 -0.573 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[N@H+]1C ZINC000648138331 419751557 /nfs/dbraw/zinc/75/15/57/419751557.db2.gz BTULFZXARZQBOH-MGPQQGTHSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)N1CC[NH+](C)CC1 ZINC000648146957 419756484 /nfs/dbraw/zinc/75/64/84/419756484.db2.gz HNTVBFSVDOZYAV-WDEREUQCSA-N 2 1 290.358 -0.264 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000648169054 419762125 /nfs/dbraw/zinc/76/21/25/419762125.db2.gz QJSOAGJJHMUEAY-BZPMIXESSA-N 2 1 296.415 -0.362 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000648157843 419762757 /nfs/dbraw/zinc/76/27/57/419762757.db2.gz JKYOEAKKCKRVSX-XQQFMLRXSA-N 2 1 267.373 -0.083 20 0 CBADMP CC1(OCC(=O)N2CC[NH2+]C[C@H]2c2ccncc2)C[NH2+]C1 ZINC000648176775 419766870 /nfs/dbraw/zinc/76/68/70/419766870.db2.gz MTEVSBCUJVYPRH-ZDUSSCGKSA-N 2 1 290.367 -0.067 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662906026 419766900 /nfs/dbraw/zinc/76/69/00/419766900.db2.gz HZRBWLRSVMKYBZ-LPWJVIDDSA-N 2 1 264.373 -0.757 20 0 CBADMP [NH3+]CC1(CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000662906411 419767536 /nfs/dbraw/zinc/76/75/36/419767536.db2.gz KAQZVCMSWJSLOC-LBPRGKRZSA-N 2 1 266.389 -0.379 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000662944496 419787302 /nfs/dbraw/zinc/78/73/02/419787302.db2.gz NJMTZMQMBYLRKE-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1COCC[NH2+]1 ZINC000648180479 419770239 /nfs/dbraw/zinc/77/02/39/419770239.db2.gz CYMBOXNSFGKEHQ-WDEREUQCSA-N 2 1 253.346 -0.234 20 0 CBADMP C[C@H](C(=O)NCC12CC(C1)C[NH2+]2)N1CC[NH+](C)CC1 ZINC000662922602 419778131 /nfs/dbraw/zinc/77/81/31/419778131.db2.gz LMNBRROJNBLSKR-LKSINWNRSA-N 2 1 266.389 -0.510 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000662930563 419781012 /nfs/dbraw/zinc/78/10/12/419781012.db2.gz SLDWSJUBCDWQJA-LBPRGKRZSA-N 2 1 282.388 -0.511 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662936903 419783464 /nfs/dbraw/zinc/78/34/64/419783464.db2.gz JWFGZNHQFONESP-LBPRGKRZSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662936903 419783467 /nfs/dbraw/zinc/78/34/67/419783467.db2.gz JWFGZNHQFONESP-LBPRGKRZSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000662937359 419784037 /nfs/dbraw/zinc/78/40/37/419784037.db2.gz GUUIRTDEJDDZTR-GFCCVEGCSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000662937359 419784039 /nfs/dbraw/zinc/78/40/39/419784039.db2.gz GUUIRTDEJDDZTR-GFCCVEGCSA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662936731 419784758 /nfs/dbraw/zinc/78/47/58/419784758.db2.gz BLRUHLAWUMAZPN-NWDGAFQWSA-N 2 1 298.431 -0.019 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662775167 419716450 /nfs/dbraw/zinc/71/64/50/419716450.db2.gz ACONPFVGBFXUMN-GMTAPVOTSA-N 2 1 263.345 -0.370 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000662776223 419718012 /nfs/dbraw/zinc/71/80/12/419718012.db2.gz IUHBDLWWFIGTMD-WDEREUQCSA-N 2 1 265.361 -0.109 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CN2CCOCC2)CC[N@H+]1C ZINC000648815275 419806212 /nfs/dbraw/zinc/80/62/12/419806212.db2.gz KBEFPBGMASDLKV-MGPQQGTHSA-N 2 1 299.415 -0.522 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648863446 419815668 /nfs/dbraw/zinc/81/56/68/419815668.db2.gz CRRLATPSGZPKMM-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648863446 419815671 /nfs/dbraw/zinc/81/56/71/419815671.db2.gz CRRLATPSGZPKMM-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648863446 419815675 /nfs/dbraw/zinc/81/56/75/419815675.db2.gz CRRLATPSGZPKMM-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[NH+](C)C ZINC000649075668 419837479 /nfs/dbraw/zinc/83/74/79/419837479.db2.gz IQPIHCISQIKDCA-SNVBAGLBSA-N 2 1 256.350 -0.874 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663494308 419843044 /nfs/dbraw/zinc/84/30/44/419843044.db2.gz NSTYDDUFQKSQAD-KCQAQPDRSA-N 3 1 280.416 -0.085 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663494308 419843049 /nfs/dbraw/zinc/84/30/49/419843049.db2.gz NSTYDDUFQKSQAD-KCQAQPDRSA-N 3 1 280.416 -0.085 20 0 CBADMP O=C1CNCCN1[C@@H]1CCC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663492592 419843525 /nfs/dbraw/zinc/84/35/25/419843525.db2.gz AHHYHPXFOURVOR-NFAWXSAZSA-N 2 1 278.400 -0.508 20 0 CBADMP O=C1CNCCN1[C@@H]1CCC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663492592 419843531 /nfs/dbraw/zinc/84/35/31/419843531.db2.gz AHHYHPXFOURVOR-NFAWXSAZSA-N 2 1 278.400 -0.508 20 0 CBADMP O=C1C[NH2+]CCN1[C@@H]1CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663492592 419843538 /nfs/dbraw/zinc/84/35/38/419843538.db2.gz AHHYHPXFOURVOR-NFAWXSAZSA-N 2 1 278.400 -0.508 20 0 CBADMP O=C([C@@H]1CCC[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C1)N1CC[NH2+]CC1 ZINC000663496862 419843667 /nfs/dbraw/zinc/84/36/67/419843667.db2.gz ZZPOITZGIACLBO-IJEWVQPXSA-N 3 1 292.427 -0.260 20 0 CBADMP O=C([C@@H]1CCC[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C1)N1CCNCC1 ZINC000663496862 419843673 /nfs/dbraw/zinc/84/36/73/419843673.db2.gz ZZPOITZGIACLBO-IJEWVQPXSA-N 2 1 292.427 -0.260 20 0 CBADMP O=C([C@@H]1CCC[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C1)N1CCNCC1 ZINC000663496862 419843677 /nfs/dbraw/zinc/84/36/77/419843677.db2.gz ZZPOITZGIACLBO-IJEWVQPXSA-N 2 1 292.427 -0.260 20 0 CBADMP O=C1CNCCN1[C@@H]1CCC[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663492591 419844187 /nfs/dbraw/zinc/84/41/87/419844187.db2.gz AHHYHPXFOURVOR-GZBFAFLISA-N 2 1 278.400 -0.508 20 0 CBADMP O=C1CNCCN1[C@@H]1CCC[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663492591 419844196 /nfs/dbraw/zinc/84/41/96/419844196.db2.gz AHHYHPXFOURVOR-GZBFAFLISA-N 2 1 278.400 -0.508 20 0 CBADMP O=C1C[NH2+]CCN1[C@@H]1CCCN(C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663492591 419844203 /nfs/dbraw/zinc/84/42/03/419844203.db2.gz AHHYHPXFOURVOR-GZBFAFLISA-N 2 1 278.400 -0.508 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1O ZINC000663681312 419854955 /nfs/dbraw/zinc/85/49/55/419854955.db2.gz JRIKHPRROZJRSY-RFGFWPKPSA-N 2 1 296.415 -0.071 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000662938641 419788579 /nfs/dbraw/zinc/78/85/79/419788579.db2.gz PGNGZSQQCBMVDZ-NEPJUHHUSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]cn2)C[C@@H](C)N1 ZINC000662953754 419792128 /nfs/dbraw/zinc/79/21/28/419792128.db2.gz PNJGPOLBYQSCPQ-NXEZZACHSA-N 2 1 279.344 -0.423 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662963621 419794594 /nfs/dbraw/zinc/79/45/94/419794594.db2.gz WUSHASPMYUZRMF-LLVKDONJSA-N 2 1 284.404 -0.265 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662963722 419795139 /nfs/dbraw/zinc/79/51/39/419795139.db2.gz WUSHASPMYUZRMF-NSHDSACASA-N 2 1 284.404 -0.265 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000662966111 419795164 /nfs/dbraw/zinc/79/51/64/419795164.db2.gz PIEOZYKRSWEOHI-LBPRGKRZSA-N 2 1 256.394 -0.262 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662963527 419795313 /nfs/dbraw/zinc/79/53/13/419795313.db2.gz UVCBWQPQCOBTQT-AVERBVTBSA-N 2 1 294.399 -0.511 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649296410 419866562 /nfs/dbraw/zinc/86/65/62/419866562.db2.gz BXKFVHMRBRBWGE-MXWKQRLJSA-N 2 1 255.387 -0.098 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)COC1(C)C[NH2+]C1 ZINC000649298929 419872035 /nfs/dbraw/zinc/87/20/35/419872035.db2.gz LXSVEEGSOOLDOS-UHFFFAOYSA-N 2 1 273.377 -0.551 20 0 CBADMP C[C@@H](NC(=O)[C@]1(N)CC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000649314749 419877877 /nfs/dbraw/zinc/87/78/77/419877877.db2.gz OBWSADNAKSPXLL-RISCZKNCSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H](NC(=O)[C@]1([NH3+])CCN(C)C1)C1CC[NH+](C)CC1 ZINC000649314749 419877883 /nfs/dbraw/zinc/87/78/83/419877883.db2.gz OBWSADNAKSPXLL-RISCZKNCSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H](CCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000664082230 419880355 /nfs/dbraw/zinc/88/03/55/419880355.db2.gz ACOLMKMNFUVCQO-STQMWFEESA-N 2 1 285.436 -0.128 20 0 CBADMP O=C(C[NH2+]C1CC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649320882 419882361 /nfs/dbraw/zinc/88/23/61/419882361.db2.gz DEZLHHGCCLBILA-CHWSQXEVSA-N 2 1 267.373 -0.204 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@@H]1O ZINC000664181141 419884129 /nfs/dbraw/zinc/88/41/29/419884129.db2.gz HFWWSNSGIGGDMB-RDBSUJKOSA-N 2 1 296.415 -0.213 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)COC2(C)C[NH2+]C2)C1 ZINC000649323562 419888396 /nfs/dbraw/zinc/88/83/96/419888396.db2.gz CIRNGZLNVCSCIQ-LLVKDONJSA-N 2 1 271.361 -0.798 20 0 CBADMP C[C@@H](O)CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665761386 544615820 /nfs/dbraw/zinc/61/58/20/544615820.db2.gz BKIZSHBKJUOTDU-NWDGAFQWSA-N 2 1 274.409 -0.062 20 0 CBADMP C[C@@H](O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665761386 544615824 /nfs/dbraw/zinc/61/58/24/544615824.db2.gz BKIZSHBKJUOTDU-NWDGAFQWSA-N 2 1 274.409 -0.062 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649352902 419903373 /nfs/dbraw/zinc/90/33/73/419903373.db2.gz SVJWFGUWFOEEAU-MNOVXSKESA-N 2 1 290.358 -0.407 20 0 CBADMP C[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)CN1CC[NH+](C)CC1 ZINC000649351416 419904627 /nfs/dbraw/zinc/90/46/27/419904627.db2.gz VXLZXDSCYFGDKO-MQYQWHSLSA-N 2 1 280.416 -0.549 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)C1 ZINC000649352760 419905038 /nfs/dbraw/zinc/90/50/38/419905038.db2.gz IUQLPBAOJRCMMR-TUVASFSCSA-N 2 1 292.427 -0.025 20 0 CBADMP CCC[N@H+](C)CC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000358606944 419907644 /nfs/dbraw/zinc/90/76/44/419907644.db2.gz CVYGSRXSXQRGEJ-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000358606944 419907648 /nfs/dbraw/zinc/90/76/48/419907648.db2.gz CVYGSRXSXQRGEJ-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP [NH3+]CCOCC[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC000649411134 419910110 /nfs/dbraw/zinc/91/01/10/419910110.db2.gz VQAGZNLOGXENHU-ZDUSSCGKSA-N 2 1 257.378 -0.242 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)CCC[N@H+]1C ZINC000358658671 419910337 /nfs/dbraw/zinc/91/03/37/419910337.db2.gz DYCZGTYJVMGORC-BZPMIXESSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CCC[NH+]1C ZINC000358658671 419910343 /nfs/dbraw/zinc/91/03/43/419910343.db2.gz DYCZGTYJVMGORC-BZPMIXESSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CCC[NH+]1C ZINC000358658671 419910348 /nfs/dbraw/zinc/91/03/48/419910348.db2.gz DYCZGTYJVMGORC-BZPMIXESSA-N 2 1 284.404 -0.165 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000649410779 419910913 /nfs/dbraw/zinc/91/09/13/419910913.db2.gz RRSMPXQLPFSCDZ-RDBSUJKOSA-N 2 1 298.431 -0.413 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358679873 419912950 /nfs/dbraw/zinc/91/29/50/419912950.db2.gz AZDZMGHPRMVKBR-DGCLKSJQSA-N 2 1 272.393 -0.308 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1([NH+](C)C)CC1 ZINC000668581388 544708281 /nfs/dbraw/zinc/70/82/81/544708281.db2.gz CNYSLLQLMBRMMR-LLVKDONJSA-N 2 1 254.378 -0.557 20 0 CBADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CNC(=O)C[NH3+] ZINC000664719051 419914689 /nfs/dbraw/zinc/91/46/89/419914689.db2.gz KWTAVRUILGJCGN-UHFFFAOYSA-N 2 1 258.366 -0.702 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](C)[NH3+])C1 ZINC000668727727 544719008 /nfs/dbraw/zinc/71/90/08/544719008.db2.gz PYTWJQBEIQBIGA-NWDGAFQWSA-N 2 1 272.393 -0.010 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)[NH3+])C1 ZINC000668727728 544719503 /nfs/dbraw/zinc/71/95/03/544719503.db2.gz PYTWJQBEIQBIGA-RYUDHWBXSA-N 2 1 272.393 -0.010 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000669403151 544748677 /nfs/dbraw/zinc/74/86/77/544748677.db2.gz MFNKAOPWFNMUBK-LBPRGKRZSA-N 2 1 269.393 -0.715 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000669403285 544749247 /nfs/dbraw/zinc/74/92/47/544749247.db2.gz RHVSDZIJFZFPIS-TUAOUCFPSA-N 2 1 270.377 -0.162 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NCC[NH2+]C1CC1 ZINC000669451983 544749711 /nfs/dbraw/zinc/74/97/11/544749711.db2.gz ARWTTXVCXXIFGU-UHFFFAOYSA-N 2 1 258.366 -0.384 20 0 CBADMP COCC[NH2+]CCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000669402984 544749720 /nfs/dbraw/zinc/74/97/20/544749720.db2.gz DAEXYIZNPHFXIC-LLVKDONJSA-N 2 1 258.366 -0.384 20 0 CBADMP CN1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000669491021 544750983 /nfs/dbraw/zinc/75/09/83/544750983.db2.gz IPBUOFCTNFIDHQ-KGLIPLIRSA-N 2 1 295.431 -0.245 20 0 CBADMP C[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1C[N@H+](C)CCO1 ZINC000669538150 544753122 /nfs/dbraw/zinc/75/31/22/544753122.db2.gz AGTVVJLSAJCZJR-QJPTWQEYSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538150 544753125 /nfs/dbraw/zinc/75/31/25/544753125.db2.gz AGTVVJLSAJCZJR-QJPTWQEYSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538486 544754629 /nfs/dbraw/zinc/75/46/29/544754629.db2.gz TUKRGPPFZMSLRE-SRVKXCTJSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538486 544754633 /nfs/dbraw/zinc/75/46/33/544754633.db2.gz TUKRGPPFZMSLRE-SRVKXCTJSA-N 2 1 270.377 -0.243 20 0 CBADMP C[NH+](C)CC(=O)N1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649486377 419917010 /nfs/dbraw/zinc/91/70/10/419917010.db2.gz JWEQIUKDGQTBNR-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP COC[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000649764172 419931090 /nfs/dbraw/zinc/93/10/90/419931090.db2.gz UOEHBQKZOKZKKL-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP COC[C@H]1C[C@@H](O)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000649764172 419931096 /nfs/dbraw/zinc/93/10/96/419931096.db2.gz UOEHBQKZOKZKKL-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCCn2ccnc2)C1 ZINC000670479291 544795186 /nfs/dbraw/zinc/79/51/86/544795186.db2.gz CFHQOEVRRLDKCI-GFCCVEGCSA-N 2 1 293.371 -0.400 20 0 CBADMP CN1CCC[C@@H](NC(=O)C(=O)NCCCn2ccnc2)C1 ZINC000670479291 544795191 /nfs/dbraw/zinc/79/51/91/544795191.db2.gz CFHQOEVRRLDKCI-GFCCVEGCSA-N 2 1 293.371 -0.400 20 0 CBADMP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCOC2)CC1=O ZINC000649685908 419926927 /nfs/dbraw/zinc/92/69/27/419926927.db2.gz QVBOVWJXSISZMQ-LBPRGKRZSA-N 2 1 255.362 -0.271 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCOC2)CC1=O ZINC000649685908 419926929 /nfs/dbraw/zinc/92/69/29/419926929.db2.gz QVBOVWJXSISZMQ-LBPRGKRZSA-N 2 1 255.362 -0.271 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+](C)C1CC1 ZINC000672207851 544842095 /nfs/dbraw/zinc/84/20/95/544842095.db2.gz IKXAAXSOHLGFKL-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1)[N@H+](C)C1CC1 ZINC000672207851 544842099 /nfs/dbraw/zinc/84/20/99/544842099.db2.gz IKXAAXSOHLGFKL-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1)[N@@H+](C)C1CC1 ZINC000672207851 544842106 /nfs/dbraw/zinc/84/21/06/544842106.db2.gz IKXAAXSOHLGFKL-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359307696 419956024 /nfs/dbraw/zinc/95/60/24/419956024.db2.gz NYLNLXSQCBIMLC-IHRRRGAJSA-N 2 1 280.416 -0.310 20 0 CBADMP CC[NH+](CC)CCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650548838 419961763 /nfs/dbraw/zinc/96/17/63/419961763.db2.gz BANGGDCPSDJDGV-CYBMUJFWSA-N 2 1 284.404 -0.211 20 0 CBADMP CC[NH+](CC)CCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650548838 419961765 /nfs/dbraw/zinc/96/17/65/419961765.db2.gz BANGGDCPSDJDGV-CYBMUJFWSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H](CNC(=O)N1CC(N2CC[C@@H](O)C2)C1)[N@@H+](C)C1CC1 ZINC000650846910 419971549 /nfs/dbraw/zinc/97/15/49/419971549.db2.gz DYTSLEAWUIUSGD-SMDDNHRTSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+](C)C1CC1 ZINC000650846910 419971553 /nfs/dbraw/zinc/97/15/53/419971553.db2.gz DYTSLEAWUIUSGD-SMDDNHRTSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H](CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[NH+](C)C1CC1 ZINC000650846910 419971555 /nfs/dbraw/zinc/97/15/55/419971555.db2.gz DYTSLEAWUIUSGD-SMDDNHRTSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H](CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[N@@H+](C)C1CC1 ZINC000650846910 419971561 /nfs/dbraw/zinc/97/15/61/419971561.db2.gz DYTSLEAWUIUSGD-SMDDNHRTSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@H](CNC(=O)N1CC(N2CC[C@@H](O)C2)C1)[N@@H+](C)C1CC1 ZINC000650846909 419972264 /nfs/dbraw/zinc/97/22/64/419972264.db2.gz DYTSLEAWUIUSGD-BXUZGUMPSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+](C)C1CC1 ZINC000650846909 419972268 /nfs/dbraw/zinc/97/22/68/419972268.db2.gz DYTSLEAWUIUSGD-BXUZGUMPSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@H](CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[NH+](C)C1CC1 ZINC000650846909 419972274 /nfs/dbraw/zinc/97/22/74/419972274.db2.gz DYTSLEAWUIUSGD-BXUZGUMPSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@H](CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[N@@H+](C)C1CC1 ZINC000650846909 419972282 /nfs/dbraw/zinc/97/22/82/419972282.db2.gz DYTSLEAWUIUSGD-BXUZGUMPSA-N 2 1 296.415 -0.071 20 0 CBADMP CC[NH+]1CCN(CC(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000360105525 420002743 /nfs/dbraw/zinc/00/27/43/420002743.db2.gz SDOURZIVYNKEHI-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000360168115 420006736 /nfs/dbraw/zinc/00/67/36/420006736.db2.gz BINAUOZRTUWZGK-NEPJUHHUSA-N 2 1 286.445 -0.209 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362653657 420026195 /nfs/dbraw/zinc/02/61/95/420026195.db2.gz DRRLWSIURVJDLI-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362653657 420026212 /nfs/dbraw/zinc/02/62/12/420026212.db2.gz DRRLWSIURVJDLI-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000364188034 420030772 /nfs/dbraw/zinc/03/07/72/420030772.db2.gz JAXDQDRAMUSWSZ-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000364188034 420030779 /nfs/dbraw/zinc/03/07/79/420030779.db2.gz JAXDQDRAMUSWSZ-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000364256979 420035392 /nfs/dbraw/zinc/03/53/92/420035392.db2.gz RBWDNICUCCAYEQ-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP COC[C@@H](C)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891383 420041479 /nfs/dbraw/zinc/04/14/79/420041479.db2.gz TZOXSXGTPOABFH-LBPRGKRZSA-N 2 1 257.378 -0.025 20 0 CBADMP COC[C@@H](C)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891383 420041486 /nfs/dbraw/zinc/04/14/86/420041486.db2.gz TZOXSXGTPOABFH-LBPRGKRZSA-N 2 1 257.378 -0.025 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000364997507 420050760 /nfs/dbraw/zinc/05/07/60/420050760.db2.gz XRQXTOJSFOUVLV-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000365105208 420055047 /nfs/dbraw/zinc/05/50/47/420055047.db2.gz NKEJSYXJZBKSRJ-SYEHKZFSSA-N 2 1 267.373 -0.038 20 0 CBADMP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H]1CC ZINC000365091693 420055309 /nfs/dbraw/zinc/05/53/09/420055309.db2.gz OOWQMMORFXEFDQ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H]1CC ZINC000365091693 420055311 /nfs/dbraw/zinc/05/53/11/420055311.db2.gz OOWQMMORFXEFDQ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000652336922 420056668 /nfs/dbraw/zinc/05/66/68/420056668.db2.gz OWCJWSHWYNZXRR-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652318154 420057087 /nfs/dbraw/zinc/05/70/87/420057087.db2.gz OKZPIRPUPDRMGF-AWEZNQCLSA-N 2 1 284.404 -0.258 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](N(C)Cc2noc(C)n2)C1 ZINC000652339335 420057494 /nfs/dbraw/zinc/05/74/94/420057494.db2.gz OAAQUWSVSOYTGD-JSGCOSHPSA-N 2 1 297.403 -0.145 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](N(C)Cc2noc(C)n2)C1 ZINC000652339335 420057497 /nfs/dbraw/zinc/05/74/97/420057497.db2.gz OAAQUWSVSOYTGD-JSGCOSHPSA-N 2 1 297.403 -0.145 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@@H+]1C ZINC000652893944 420097542 /nfs/dbraw/zinc/09/75/42/420097542.db2.gz CUDKMHYNQVOOGM-RAIGVLPGSA-N 2 1 267.373 -0.396 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@H+]1C ZINC000652893944 420097546 /nfs/dbraw/zinc/09/75/46/420097546.db2.gz CUDKMHYNQVOOGM-RAIGVLPGSA-N 2 1 267.373 -0.396 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000652893944 420097549 /nfs/dbraw/zinc/09/75/49/420097549.db2.gz CUDKMHYNQVOOGM-RAIGVLPGSA-N 2 1 267.373 -0.396 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000652893944 420097553 /nfs/dbraw/zinc/09/75/53/420097553.db2.gz CUDKMHYNQVOOGM-RAIGVLPGSA-N 2 1 267.373 -0.396 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367288061 420100960 /nfs/dbraw/zinc/10/09/60/420100960.db2.gz UUGPWKBIACHZQQ-RKDXNWHRSA-N 2 1 263.288 -0.570 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000367304849 420102122 /nfs/dbraw/zinc/10/21/22/420102122.db2.gz HOOYFMBUCOTGPQ-HNNXBMFYSA-N 2 1 297.399 -0.358 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000367304849 420102124 /nfs/dbraw/zinc/10/21/24/420102124.db2.gz HOOYFMBUCOTGPQ-HNNXBMFYSA-N 2 1 297.399 -0.358 20 0 CBADMP CCN1CCOC[C@@H]1C(=O)NCC[N@@H+](C)CCCOC ZINC000367295503 420102279 /nfs/dbraw/zinc/10/22/79/420102279.db2.gz KSJGJCUWEWRHGZ-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@H+]1C ZINC000672594002 544856321 /nfs/dbraw/zinc/85/63/21/544856321.db2.gz AZSYCCHIVPGHBQ-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)CC[NH+]1C ZINC000672594002 544856325 /nfs/dbraw/zinc/85/63/25/544856325.db2.gz AZSYCCHIVPGHBQ-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1C ZINC000672594002 544856327 /nfs/dbraw/zinc/85/63/27/544856327.db2.gz AZSYCCHIVPGHBQ-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP COC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000367607817 420111617 /nfs/dbraw/zinc/11/16/17/420111617.db2.gz PJNZFXIQDOLKMW-WOPDTQHZSA-N 2 1 271.361 -0.670 20 0 CBADMP COC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000367607817 420111621 /nfs/dbraw/zinc/11/16/21/420111621.db2.gz PJNZFXIQDOLKMW-WOPDTQHZSA-N 2 1 271.361 -0.670 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000653105755 420116013 /nfs/dbraw/zinc/11/60/13/420116013.db2.gz IOVMZCTZOZGLFZ-KGLIPLIRSA-N 2 1 298.431 -0.411 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)CC[N@H+]1C ZINC000672594004 544856953 /nfs/dbraw/zinc/85/69/53/544856953.db2.gz AZSYCCHIVPGHBQ-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)CC[NH+]1C ZINC000672594004 544856958 /nfs/dbraw/zinc/85/69/58/544856958.db2.gz AZSYCCHIVPGHBQ-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)CC[NH+]1C ZINC000672594004 544856962 /nfs/dbraw/zinc/85/69/62/544856962.db2.gz AZSYCCHIVPGHBQ-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653112345 420117049 /nfs/dbraw/zinc/11/70/49/420117049.db2.gz VWDBVSWILWJWDD-LOWVWBTDSA-N 2 1 253.346 -0.567 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111383 420117284 /nfs/dbraw/zinc/11/72/84/420117284.db2.gz NQSWFYUJVZRXGH-JLNYLFASSA-N 2 1 279.384 -0.035 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653105491 420117590 /nfs/dbraw/zinc/11/75/90/420117590.db2.gz YEUTXTKKTLCCIO-SCRDCRAPSA-N 2 1 267.373 -0.177 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000653105754 420117637 /nfs/dbraw/zinc/11/76/37/420117637.db2.gz IOVMZCTZOZGLFZ-KBPBESRZSA-N 2 1 298.431 -0.411 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116823 420118130 /nfs/dbraw/zinc/11/81/30/420118130.db2.gz VDHBHXYCATYHIM-GUTXKFCHSA-N 2 1 297.399 -0.551 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000653121984 420118915 /nfs/dbraw/zinc/11/89/15/420118915.db2.gz HYTOAUBXCLZZLJ-VXGBXAGGSA-N 2 1 256.394 -0.277 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)n1C ZINC000653119400 420119944 /nfs/dbraw/zinc/11/99/44/420119944.db2.gz IEADBDHZAVRKOR-HZMBPMFUSA-N 2 1 293.371 -0.662 20 0 CBADMP C[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000653114766 420120893 /nfs/dbraw/zinc/12/08/93/420120893.db2.gz WCDJVUIZGMBRAX-QWHCGFSZSA-N 2 1 286.420 -0.650 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000653144422 420123454 /nfs/dbraw/zinc/12/34/54/420123454.db2.gz SKZLYXHRWOYISC-JQWIXIFHSA-N 2 1 260.357 -0.575 20 0 CBADMP O=C(NCCN1CC[NH2+]CC1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000368451381 420132484 /nfs/dbraw/zinc/13/24/84/420132484.db2.gz RVWODOQFMULFMZ-KBPBESRZSA-N 2 1 280.416 -0.118 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000368433487 420132999 /nfs/dbraw/zinc/13/29/99/420132999.db2.gz MPFABAJCRQHCAK-MROQNXINSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[N@H+]1CCC[C@H](C)C1 ZINC000368433489 420133468 /nfs/dbraw/zinc/13/34/68/420133468.db2.gz MPFABAJCRQHCAK-ZDEQEGDKSA-N 2 1 269.389 -0.054 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC000368486331 420134607 /nfs/dbraw/zinc/13/46/07/420134607.db2.gz BGRNWGGUJSEYFJ-HNNXBMFYSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC000368486331 420134610 /nfs/dbraw/zinc/13/46/10/420134610.db2.gz BGRNWGGUJSEYFJ-HNNXBMFYSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC000368486331 420134615 /nfs/dbraw/zinc/13/46/15/420134615.db2.gz BGRNWGGUJSEYFJ-HNNXBMFYSA-N 2 1 281.400 -0.003 20 0 CBADMP CC[NH+](CC)CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000368574159 420137014 /nfs/dbraw/zinc/13/70/14/420137014.db2.gz XHQYOKZVPYMHIR-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[NH+](CC)CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000368574160 420137632 /nfs/dbraw/zinc/13/76/32/420137632.db2.gz XHQYOKZVPYMHIR-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCC[C@@H]2CO)C1=O ZINC000653285635 420137844 /nfs/dbraw/zinc/13/78/44/420137844.db2.gz UKXLBMGKOCBUSV-MNOVXSKESA-N 2 1 269.345 -0.868 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCCC1(C[NH3+])CC1)C1CC1 ZINC000652684802 420071730 /nfs/dbraw/zinc/07/17/30/420071730.db2.gz XSHYNQBTPHONNM-UHFFFAOYSA-N 2 1 296.415 -0.168 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000652694798 420072841 /nfs/dbraw/zinc/07/28/41/420072841.db2.gz HMYYLNBCIFYCRA-CYBMUJFWSA-N 2 1 298.431 -0.066 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1=O ZINC000652734757 420078642 /nfs/dbraw/zinc/07/86/42/420078642.db2.gz VDJGYRKHQWAZTC-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652735160 420079446 /nfs/dbraw/zinc/07/94/46/420079446.db2.gz DEEKYXJBGVAJTK-UHFFFAOYSA-N 2 1 284.404 -0.441 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCN2CCOCC2)C1 ZINC000366732835 420092633 /nfs/dbraw/zinc/09/26/33/420092633.db2.gz AFMKDBXINBIJIY-CQSZACIVSA-N 2 1 299.415 -0.114 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654563883 420187716 /nfs/dbraw/zinc/18/77/16/420187716.db2.gz VDIYDPIOBYTHNF-SDDRHHMPSA-N 2 1 270.377 -0.603 20 0 CBADMP CC[C@@]1(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000370846284 420188162 /nfs/dbraw/zinc/18/81/62/420188162.db2.gz LHWMTHGJLSZPTI-OAHLLOKOSA-N 2 1 296.415 -0.344 20 0 CBADMP CC[C@@](C)([NH3+])c1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000384192970 420200030 /nfs/dbraw/zinc/20/00/30/420200030.db2.gz WMRKAGGDNPGJHG-CYBMUJFWSA-N 2 1 280.376 -0.364 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C(C)C)CC1 ZINC000382461214 420201360 /nfs/dbraw/zinc/20/13/60/420201360.db2.gz XZAGQSNQEOHENA-AWEZNQCLSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[C@@](C)([NH3+])c1cn(C[C@@H](O)C[N@@H+](C)CCOC)nn1 ZINC000384183308 420201382 /nfs/dbraw/zinc/20/13/82/420201382.db2.gz RAXBVCJTVYBONK-WCQYABFASA-N 2 1 285.392 -0.199 20 0 CBADMP CC(C)NC(=O)CN1CCCN(C(=O)CN(C)C)CC1 ZINC000368927379 420147658 /nfs/dbraw/zinc/14/76/58/420147658.db2.gz RMBHHHMXLKFLGS-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000653542041 420149967 /nfs/dbraw/zinc/14/99/67/420149967.db2.gz DKRNQNAYSUFCKG-ZNMIVQPWSA-N 2 1 285.432 -0.170 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000653623819 420151514 /nfs/dbraw/zinc/15/15/14/420151514.db2.gz OLXBVYRNWCPOKQ-STQMWFEESA-N 2 1 283.376 -0.536 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCNC(=O)C[C@@H]1C ZINC000653593717 420152305 /nfs/dbraw/zinc/15/23/05/420152305.db2.gz MDICGDYPFUNMNX-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCN([C@H]2CCOC2)CC1 ZINC000653589300 420152356 /nfs/dbraw/zinc/15/23/56/420152356.db2.gz GGUALEKFMICOBY-KBPBESRZSA-N 2 1 271.405 -0.295 20 0 CBADMP CC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000653589300 420152360 /nfs/dbraw/zinc/15/23/60/420152360.db2.gz GGUALEKFMICOBY-KBPBESRZSA-N 2 1 271.405 -0.295 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000653589300 420152365 /nfs/dbraw/zinc/15/23/65/420152365.db2.gz GGUALEKFMICOBY-KBPBESRZSA-N 2 1 271.405 -0.295 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000653623817 420153664 /nfs/dbraw/zinc/15/36/64/420153664.db2.gz OLXBVYRNWCPOKQ-QWHCGFSZSA-N 2 1 283.376 -0.536 20 0 CBADMP CNC(=O)CCCN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000653588282 420153714 /nfs/dbraw/zinc/15/37/14/420153714.db2.gz NKEOZNZKQOWVBO-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000653694685 420158127 /nfs/dbraw/zinc/15/81/27/420158127.db2.gz NNWWWLNOGWDWPZ-HZSPNIEDSA-N 2 1 271.405 -0.439 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000653694685 420158132 /nfs/dbraw/zinc/15/81/32/420158132.db2.gz NNWWWLNOGWDWPZ-HZSPNIEDSA-N 2 1 271.405 -0.439 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000653694685 420158136 /nfs/dbraw/zinc/15/81/36/420158136.db2.gz NNWWWLNOGWDWPZ-HZSPNIEDSA-N 2 1 271.405 -0.439 20 0 CBADMP CCN1CCO[C@H](C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000369679190 420162025 /nfs/dbraw/zinc/16/20/25/420162025.db2.gz DWHUMIFTVKXUSA-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)C2CC2)C1 ZINC000369679190 420162028 /nfs/dbraw/zinc/16/20/28/420162028.db2.gz DWHUMIFTVKXUSA-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)C2CC2)C1 ZINC000369679190 420162035 /nfs/dbraw/zinc/16/20/35/420162035.db2.gz DWHUMIFTVKXUSA-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000369679190 420162039 /nfs/dbraw/zinc/16/20/39/420162039.db2.gz DWHUMIFTVKXUSA-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397385720 420215896 /nfs/dbraw/zinc/21/58/96/420215896.db2.gz LUNOJBNVAVBCMM-GUBZILKMSA-N 2 1 256.350 -0.253 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397385720 420215900 /nfs/dbraw/zinc/21/59/00/420215900.db2.gz LUNOJBNVAVBCMM-GUBZILKMSA-N 2 1 256.350 -0.253 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654395405 420176904 /nfs/dbraw/zinc/17/69/04/420176904.db2.gz LXOQHVXMTXVBCC-FRRDWIJNSA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654395405 420176908 /nfs/dbraw/zinc/17/69/08/420176908.db2.gz LXOQHVXMTXVBCC-FRRDWIJNSA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654395405 420176914 /nfs/dbraw/zinc/17/69/14/420176914.db2.gz LXOQHVXMTXVBCC-FRRDWIJNSA-N 2 1 282.388 -0.459 20 0 CBADMP C[C@@H](CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C1CC1 ZINC000654429035 420179027 /nfs/dbraw/zinc/17/90/27/420179027.db2.gz FYKGWWOZNCNVLP-FPMFFAJLSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H](CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[N@H+](C)C1CC1 ZINC000654429035 420179031 /nfs/dbraw/zinc/17/90/31/420179031.db2.gz FYKGWWOZNCNVLP-FPMFFAJLSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H](CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000654429035 420179035 /nfs/dbraw/zinc/17/90/35/420179035.db2.gz FYKGWWOZNCNVLP-FPMFFAJLSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000655131508 420224526 /nfs/dbraw/zinc/22/45/26/420224526.db2.gz DPHBXHQKDUPUGH-STQMWFEESA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000655131508 420224531 /nfs/dbraw/zinc/22/45/31/420224531.db2.gz DPHBXHQKDUPUGH-STQMWFEESA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000655131508 420224536 /nfs/dbraw/zinc/22/45/36/420224536.db2.gz DPHBXHQKDUPUGH-STQMWFEESA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000655131508 420224539 /nfs/dbraw/zinc/22/45/39/420224539.db2.gz DPHBXHQKDUPUGH-STQMWFEESA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655295151 420238077 /nfs/dbraw/zinc/23/80/77/420238077.db2.gz URZRGXZIENWHRI-FRRDWIJNSA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655295151 420238080 /nfs/dbraw/zinc/23/80/80/420238080.db2.gz URZRGXZIENWHRI-FRRDWIJNSA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655295151 420238086 /nfs/dbraw/zinc/23/80/86/420238086.db2.gz URZRGXZIENWHRI-FRRDWIJNSA-N 2 1 267.373 -0.394 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296828 420240117 /nfs/dbraw/zinc/24/01/17/420240117.db2.gz AMSWOEQHYPPJSY-NWDGAFQWSA-N 2 1 255.362 -0.394 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296658 420241808 /nfs/dbraw/zinc/24/18/08/420241808.db2.gz PEOKLECVODPDPM-HZSPNIEDSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000419018925 420243566 /nfs/dbraw/zinc/24/35/66/420243566.db2.gz CWJSEIRSCAHGGD-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000418951527 420243871 /nfs/dbraw/zinc/24/38/71/420243871.db2.gz UKBIJYPTOSXRLS-VIFPVBQESA-N 2 1 294.346 -0.457 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000419018927 420244071 /nfs/dbraw/zinc/24/40/71/420244071.db2.gz CWJSEIRSCAHGGD-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000419324545 420245454 /nfs/dbraw/zinc/24/54/54/420245454.db2.gz VQNMHJPSWHCBAS-IJLUTSLNSA-N 2 1 296.415 -0.158 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000419337534 420245494 /nfs/dbraw/zinc/24/54/94/420245494.db2.gz QUCJRAXGKRYHHR-DMDPSCGWSA-N 2 1 296.415 -0.301 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419279882 420245893 /nfs/dbraw/zinc/24/58/93/420245893.db2.gz DMOCTUZPBBZBPQ-UHFFFAOYSA-N 2 1 272.393 -0.488 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419691687 420246052 /nfs/dbraw/zinc/24/60/52/420246052.db2.gz FLKAWXAPVUEFTF-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000419582140 420246089 /nfs/dbraw/zinc/24/60/89/420246089.db2.gz JEFWNJCXPONDRB-IJLUTSLNSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419846160 420246111 /nfs/dbraw/zinc/24/61/11/420246111.db2.gz RGSBQXHZLDOJKL-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419755951 420246312 /nfs/dbraw/zinc/24/63/12/420246312.db2.gz ACIISCKWAXJAOW-UHFFFAOYSA-N 2 1 272.393 -0.488 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419901831 420247447 /nfs/dbraw/zinc/24/74/47/420247447.db2.gz VDLDYYGRZRVBDT-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000420079262 420248389 /nfs/dbraw/zinc/24/83/89/420248389.db2.gz PUEPLFXZHJAPSM-NSHDSACASA-N 2 1 284.404 -0.219 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000655448843 420248977 /nfs/dbraw/zinc/24/89/77/420248977.db2.gz ZLFLNIMCUHWQSQ-RYUDHWBXSA-N 2 1 268.405 -0.121 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000655448843 420248982 /nfs/dbraw/zinc/24/89/82/420248982.db2.gz ZLFLNIMCUHWQSQ-RYUDHWBXSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H]([NH3+])[C@H](C)Nc1cc[nH+]c(N2CCOCC2)n1 ZINC000420254552 420251241 /nfs/dbraw/zinc/25/12/41/420251241.db2.gz ABHJSDVRLHKIJQ-UWVGGRQHSA-N 2 1 251.334 0.461 20 0 CBADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000420345922 420251921 /nfs/dbraw/zinc/25/19/21/420251921.db2.gz WVXDKIMSGLYJTC-OLZOCXBDSA-N 2 1 294.399 -0.734 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420393204 420252191 /nfs/dbraw/zinc/25/21/91/420252191.db2.gz BVYHVYKJJFHNEO-MNOVXSKESA-N 2 1 263.407 -0.158 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420393204 420252194 /nfs/dbraw/zinc/25/21/94/420252194.db2.gz BVYHVYKJJFHNEO-MNOVXSKESA-N 2 1 263.407 -0.158 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000423204437 420255603 /nfs/dbraw/zinc/25/56/03/420255603.db2.gz AUNCVBJPKPNDQF-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2C[C@H]2[NH3+])C1 ZINC000424160320 420258351 /nfs/dbraw/zinc/25/83/51/420258351.db2.gz UFLRRDIPANOVPT-GARJFASQSA-N 2 1 268.361 -0.963 20 0 CBADMP Cn1nnnc1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655724079 420270013 /nfs/dbraw/zinc/27/00/13/420270013.db2.gz RVMBQAWDHHSMQC-CYBMUJFWSA-N 2 1 294.403 -0.014 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000430614980 420272666 /nfs/dbraw/zinc/27/26/66/420272666.db2.gz AQDKDEFCYPKCFB-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430901464 420272935 /nfs/dbraw/zinc/27/29/35/420272935.db2.gz USKLPKBIUDVLIY-NWDGAFQWSA-N 2 1 253.346 -0.330 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655917324 420276063 /nfs/dbraw/zinc/27/60/63/420276063.db2.gz PMEUKCUXQKIKPM-BDAKNGLRSA-N 2 1 297.325 -0.579 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655923687 420277775 /nfs/dbraw/zinc/27/77/75/420277775.db2.gz BICUMWUJFJFQIH-CBAPKCEASA-N 2 1 284.282 -0.758 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655932243 420280014 /nfs/dbraw/zinc/28/00/14/420280014.db2.gz UDNZWQCJSIRSIO-IUCAKERBSA-N 2 1 298.309 -0.416 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655932243 420280019 /nfs/dbraw/zinc/28/00/19/420280019.db2.gz UDNZWQCJSIRSIO-IUCAKERBSA-N 2 1 298.309 -0.416 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655932241 420280618 /nfs/dbraw/zinc/28/06/18/420280618.db2.gz UDNZWQCJSIRSIO-BDAKNGLRSA-N 2 1 298.309 -0.416 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655932241 420280621 /nfs/dbraw/zinc/28/06/21/420280621.db2.gz UDNZWQCJSIRSIO-BDAKNGLRSA-N 2 1 298.309 -0.416 20 0 CBADMP O=C(NCC[C@H]1CC[NH2+]C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655964516 420283460 /nfs/dbraw/zinc/28/34/60/420283460.db2.gz WLXNWCGODWTMQM-FRRDWIJNSA-N 2 1 282.388 -0.554 20 0 CBADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655965507 420284929 /nfs/dbraw/zinc/28/49/29/420284929.db2.gz FJYJPHAEHHDART-RVMXOQNASA-N 2 1 282.388 -0.555 20 0 CBADMP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655966411 420284978 /nfs/dbraw/zinc/28/49/78/420284978.db2.gz WGVWXWMBIFKKEC-QNWHQSFQSA-N 2 1 282.388 -0.283 20 0 CBADMP O=C(NCCC1=CC[NH2+]CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967090 420285460 /nfs/dbraw/zinc/28/54/60/420285460.db2.gz MHHNMAIVPJMXGC-UONOGXRCSA-N 2 1 294.399 -0.243 20 0 CBADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967161 420285812 /nfs/dbraw/zinc/28/58/12/420285812.db2.gz OAIMSQMMJFOUNK-WUHRBBMRSA-N 2 1 282.388 -0.555 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000655080963 420220035 /nfs/dbraw/zinc/22/00/35/420220035.db2.gz AVELPAZHKAPJHQ-SNVBAGLBSA-N 2 1 281.360 -0.626 20 0 CBADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3C[C@H](O)C3)cn2)CC1 ZINC000657810129 420363596 /nfs/dbraw/zinc/36/35/96/420363596.db2.gz YHCYFJIMNRKEGC-JOCQHMNTSA-N 2 1 277.372 -0.159 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000516787069 420363931 /nfs/dbraw/zinc/36/39/31/420363931.db2.gz LDSLLELSIJQIGI-QWRGUYRKSA-N 2 1 268.361 -0.983 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656021605 420293867 /nfs/dbraw/zinc/29/38/67/420293867.db2.gz CYGZRVHKSIRYHT-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP CC(C)([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656023665 420293922 /nfs/dbraw/zinc/29/39/22/420293922.db2.gz COSKDWWFTXFBNM-NWDGAFQWSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656022000 420294222 /nfs/dbraw/zinc/29/42/22/420294222.db2.gz RHBDHGWGYHAGJZ-SRVKXCTJSA-N 2 1 282.388 -0.417 20 0 CBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH2+]CC1 ZINC000656027596 420294913 /nfs/dbraw/zinc/29/49/13/420294913.db2.gz DQQORJNKCULYMB-CHWSQXEVSA-N 2 1 294.399 -0.449 20 0 CBADMP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656028507 420295210 /nfs/dbraw/zinc/29/52/10/420295210.db2.gz LXEKPCQESZATBP-YNEHKIRRSA-N 2 1 294.399 -0.321 20 0 CBADMP CC[C@H]1CN(C[C@@](C)(O)C[NH2+]C)CC[N@H+]1CCOC ZINC000517034838 420370523 /nfs/dbraw/zinc/37/05/23/420370523.db2.gz ABNLJXLBERWQRO-KBPBESRZSA-N 2 1 273.421 -0.001 20 0 CBADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCC(=O)NC3CCCC3)CCN2C1=O ZINC000516982048 420370603 /nfs/dbraw/zinc/37/06/03/420370603.db2.gz SLJGRLRWJRKPSM-OLZOCXBDSA-N 2 1 294.399 -0.321 20 0 CBADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCC(=O)NC3CCCC3)CCN2C1=O ZINC000516982048 420370608 /nfs/dbraw/zinc/37/06/08/420370608.db2.gz SLJGRLRWJRKPSM-OLZOCXBDSA-N 2 1 294.399 -0.321 20 0 CBADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000517167964 420372481 /nfs/dbraw/zinc/37/24/81/420372481.db2.gz DFGGHYZRNYGUDT-RYUDHWBXSA-N 2 1 283.372 -0.166 20 0 CBADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000517167964 420372483 /nfs/dbraw/zinc/37/24/83/420372483.db2.gz DFGGHYZRNYGUDT-RYUDHWBXSA-N 2 1 283.372 -0.166 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000517238976 420373865 /nfs/dbraw/zinc/37/38/65/420373865.db2.gz NWDIDVJXXBOCLC-ZOWXZIJZSA-N 2 1 294.399 -0.558 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)CN2CC(C)(C)C2)C1 ZINC000517245624 420374234 /nfs/dbraw/zinc/37/42/34/420374234.db2.gz XAAJQNNHIJSPSS-CYBMUJFWSA-N 2 1 255.362 -0.489 20 0 CBADMP CN(C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC([NH3+])C1 ZINC000517236074 420374409 /nfs/dbraw/zinc/37/44/09/420374409.db2.gz JBLZOXJNCBGJKG-VOMCLLRMSA-N 2 1 254.378 -0.395 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000519704366 420385368 /nfs/dbraw/zinc/38/53/68/420385368.db2.gz MBSICODRUROTKM-YPMHNXCESA-N 2 1 265.361 -0.067 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000519704366 420385372 /nfs/dbraw/zinc/38/53/72/420385372.db2.gz MBSICODRUROTKM-YPMHNXCESA-N 2 1 265.361 -0.067 20 0 CBADMP C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)OCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000674232085 544898391 /nfs/dbraw/zinc/89/83/91/544898391.db2.gz OLSGZWARNHIAMV-VGWMRTNUSA-N 2 1 294.443 -0.695 20 0 CBADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000516939108 420367357 /nfs/dbraw/zinc/36/73/57/420367357.db2.gz MEMRCUSOVNEQOL-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(CCO)CC1 ZINC000674774412 544915231 /nfs/dbraw/zinc/91/52/31/544915231.db2.gz BDBPHROAILMHKD-GFCCVEGCSA-N 2 1 255.362 -0.393 20 0 CBADMP C[C@H](NC(=O)NCCC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676289518 544945264 /nfs/dbraw/zinc/94/52/64/544945264.db2.gz OHFYRUYMRCKTHN-NWDGAFQWSA-N 2 1 272.393 -0.044 20 0 CBADMP C[C@H](NC(=O)NCCC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676289518 544945267 /nfs/dbraw/zinc/94/52/67/544945267.db2.gz OHFYRUYMRCKTHN-NWDGAFQWSA-N 2 1 272.393 -0.044 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676287028 544945482 /nfs/dbraw/zinc/94/54/82/544945482.db2.gz MZJUFVRNZLYIIJ-SDDRHHMPSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676287028 544945484 /nfs/dbraw/zinc/94/54/84/544945484.db2.gz MZJUFVRNZLYIIJ-SDDRHHMPSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676287028 544945486 /nfs/dbraw/zinc/94/54/86/544945486.db2.gz MZJUFVRNZLYIIJ-SDDRHHMPSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676287028 544945495 /nfs/dbraw/zinc/94/54/95/544945495.db2.gz MZJUFVRNZLYIIJ-SDDRHHMPSA-N 2 1 255.362 -0.227 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000659431863 420418915 /nfs/dbraw/zinc/41/89/15/420418915.db2.gz QRZVBWSRBMHCCF-GFCCVEGCSA-N 2 1 285.436 -0.081 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659457246 420420192 /nfs/dbraw/zinc/42/01/92/420420192.db2.gz BZPQZBNCWFFQPY-MBHSVXNSSA-N 2 1 282.388 -0.160 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659453276 420420744 /nfs/dbraw/zinc/42/07/44/420420744.db2.gz JCANZXJSRCEANO-LXVYMNJGSA-N 2 1 281.404 -0.717 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000659457757 420422331 /nfs/dbraw/zinc/42/23/31/420422331.db2.gz KHKHCIOKDZYJOP-ZDUSSCGKSA-N 2 1 285.436 -0.079 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659573400 420435141 /nfs/dbraw/zinc/43/51/41/420435141.db2.gz FMVXJQNRXAIKHL-LBPRGKRZSA-N 2 1 284.404 -0.034 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000679351964 545027358 /nfs/dbraw/zinc/02/73/58/545027358.db2.gz FZPWHFSUAKAZEP-UONOGXRCSA-N 2 1 280.416 -0.214 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000679351964 545027361 /nfs/dbraw/zinc/02/73/61/545027361.db2.gz FZPWHFSUAKAZEP-UONOGXRCSA-N 2 1 280.416 -0.214 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000659546471 420431013 /nfs/dbraw/zinc/43/10/13/420431013.db2.gz CHLGBDFGNMTJMA-NNYUYHANSA-N 2 1 252.362 -0.012 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)Cc1ncc[nH]1 ZINC000682842474 545061517 /nfs/dbraw/zinc/06/15/17/545061517.db2.gz JPQKHRRVEWJLIL-UHFFFAOYSA-N 2 1 251.334 -0.385 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659750075 420467359 /nfs/dbraw/zinc/46/73/59/420467359.db2.gz MKLRGLRVHNAHRO-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659749823 420467617 /nfs/dbraw/zinc/46/76/17/420467617.db2.gz KEYDYJFQDVUIQV-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000659749751 420467730 /nfs/dbraw/zinc/46/77/30/420467730.db2.gz JFIDRVVHCPZPNH-NEPJUHHUSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000659749751 420467732 /nfs/dbraw/zinc/46/77/32/420467732.db2.gz JFIDRVVHCPZPNH-NEPJUHHUSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000659753250 420468159 /nfs/dbraw/zinc/46/81/59/420468159.db2.gz PCYBILFQPOBNIK-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659752657 420468306 /nfs/dbraw/zinc/46/83/06/420468306.db2.gz KZIYNTMPPWFTPO-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000659753253 420468432 /nfs/dbraw/zinc/46/84/32/420468432.db2.gz PCYBILFQPOBNIK-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000659755221 420469052 /nfs/dbraw/zinc/46/90/52/420469052.db2.gz JLJWJVWYAVGLAZ-FRRDWIJNSA-N 2 1 298.431 -0.053 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000659610165 420437724 /nfs/dbraw/zinc/43/77/24/420437724.db2.gz LZWXNKUVNNYIFK-CHWSQXEVSA-N 2 1 283.420 -0.245 20 0 CBADMP C[NH+](C)CCCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000682110190 545054443 /nfs/dbraw/zinc/05/44/43/545054443.db2.gz AXAGTTOTTIUAIX-UHFFFAOYSA-N 2 1 272.393 -0.040 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000659637239 420441665 /nfs/dbraw/zinc/44/16/65/420441665.db2.gz BVGQFWGFTJMXPY-NEPJUHHUSA-N 2 1 297.403 -0.800 20 0 CBADMP C[NH+](C)CCOCCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000682615070 545059167 /nfs/dbraw/zinc/05/91/67/545059167.db2.gz YNZQTRRPAROCHG-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000659642070 420442919 /nfs/dbraw/zinc/44/29/19/420442919.db2.gz JCANQHDGGBWKRW-NEPJUHHUSA-N 2 1 272.393 -0.260 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000659680214 420447493 /nfs/dbraw/zinc/44/74/93/420447493.db2.gz VLVULEQZKUQWPU-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)CC[N@H+]1C ZINC000659677647 420448048 /nfs/dbraw/zinc/44/80/48/420448048.db2.gz GLSJREAZQJUQAP-VXGBXAGGSA-N 2 1 296.415 -0.027 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCCC1 ZINC000659686778 420448683 /nfs/dbraw/zinc/44/86/83/420448683.db2.gz JNLXSXVLSVQFIY-NSHDSACASA-N 2 1 294.399 -0.273 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000659688628 420450155 /nfs/dbraw/zinc/45/01/55/420450155.db2.gz DGEOFQLZJBFXAW-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659698185 420451538 /nfs/dbraw/zinc/45/15/38/420451538.db2.gz AGFDMGRNGPUWSW-BZUNDVKYSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)C[NH2+]C)C1CC1 ZINC000659699949 420451572 /nfs/dbraw/zinc/45/15/72/420451572.db2.gz XXYVYSCEOBOJRE-JTQLQIEISA-N 2 1 270.377 -0.689 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000659704338 420452806 /nfs/dbraw/zinc/45/28/06/420452806.db2.gz KJLDWITVKLBMDW-CMPLNLGQSA-N 2 1 282.388 -0.689 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000659702013 420453456 /nfs/dbraw/zinc/45/34/56/420453456.db2.gz KVNHUGUWGXTXTJ-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH2+]CC)C1 ZINC000659709215 420453879 /nfs/dbraw/zinc/45/38/79/420453879.db2.gz ADQNIZDHSHWEOO-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000659709267 420453986 /nfs/dbraw/zinc/45/39/86/420453986.db2.gz GMMMKCZGUFOFAE-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000659711718 420454877 /nfs/dbraw/zinc/45/48/77/420454877.db2.gz CQCZFNUCKQCHMI-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000659715956 420456970 /nfs/dbraw/zinc/45/69/70/420456970.db2.gz UBDGNDAYGWXTJD-NWDGAFQWSA-N 2 1 282.388 -0.560 20 0 CBADMP Cc1cc(NC(=O)CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)no1 ZINC000572038833 420456932 /nfs/dbraw/zinc/45/69/32/420456932.db2.gz KEOJEPLYCMZJNM-GFCCVEGCSA-N 2 1 296.371 0.358 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000659714711 420457122 /nfs/dbraw/zinc/45/71/22/420457122.db2.gz LWVAXLJAYJZFDQ-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000659718025 420457856 /nfs/dbraw/zinc/45/78/56/420457856.db2.gz LKECKIRAJIJQLN-VXGBXAGGSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659716260 420457889 /nfs/dbraw/zinc/45/78/89/420457889.db2.gz VVHACMRSBFGWAL-NEPJUHHUSA-N 2 1 296.415 -0.027 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000659716134 420457905 /nfs/dbraw/zinc/45/79/05/420457905.db2.gz WIEVZNSGQZQBLC-NEPJUHHUSA-N 2 1 296.415 -0.171 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000659716135 420458055 /nfs/dbraw/zinc/45/80/55/420458055.db2.gz WIEVZNSGQZQBLC-NWDGAFQWSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659719470 420458880 /nfs/dbraw/zinc/45/88/80/420458880.db2.gz YMOCJJIVWCTECW-MNOVXSKESA-N 2 1 284.404 -0.171 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000659720270 420459271 /nfs/dbraw/zinc/45/92/71/420459271.db2.gz RXRZQZUPIIPKMH-NWDGAFQWSA-N 2 1 296.415 -0.171 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000659719660 420459438 /nfs/dbraw/zinc/45/94/38/420459438.db2.gz JJLPZQHLTCKPSS-JTQLQIEISA-N 2 1 270.377 -0.560 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000659726256 420459820 /nfs/dbraw/zinc/45/98/20/420459820.db2.gz IQABSBFBGSKMLD-AVGNSLFASA-N 2 1 296.415 -0.156 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000659726258 420460368 /nfs/dbraw/zinc/46/03/68/420460368.db2.gz IQABSBFBGSKMLD-RWMBFGLXSA-N 2 1 296.415 -0.156 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000659725988 420460452 /nfs/dbraw/zinc/46/04/52/420460452.db2.gz GJCXNSSNYOHXFQ-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659732479 420462419 /nfs/dbraw/zinc/46/24/19/420462419.db2.gz OMJKJZMWVNEKLM-GFCCVEGCSA-N 2 1 296.415 -0.025 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000659738870 420463018 /nfs/dbraw/zinc/46/30/18/420463018.db2.gz JKAJTEPEGWLAKB-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)C1 ZINC000659738287 420463090 /nfs/dbraw/zinc/46/30/90/420463090.db2.gz DHIJTGZELJVVQH-AGIUHOORSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000659738276 420463332 /nfs/dbraw/zinc/46/33/32/420463332.db2.gz DGKIDVFMPMNNHF-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000659738281 420463458 /nfs/dbraw/zinc/46/34/58/420463458.db2.gz DGZVYXTZNWPHJU-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)C1 ZINC000659739306 420464240 /nfs/dbraw/zinc/46/42/40/420464240.db2.gz QMSGXKYVNMDCIF-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000659739299 420464505 /nfs/dbraw/zinc/46/45/05/420464505.db2.gz QLBPHKAIAZTFRO-AGIUHOORSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000659739507 420464682 /nfs/dbraw/zinc/46/46/82/420464682.db2.gz WLXRDRKWPYYXAF-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659739045 420464760 /nfs/dbraw/zinc/46/47/60/420464760.db2.gz MAAIDTMFSGNZQF-FRRDWIJNSA-N 2 1 294.399 -0.735 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659749381 420465937 /nfs/dbraw/zinc/46/59/37/420465937.db2.gz HCEJGDNZLJTHHD-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659749821 420466849 /nfs/dbraw/zinc/46/68/49/420466849.db2.gz KEYDYJFQDVUIQV-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCN2CCOC[C@@H]2C1 ZINC000660274435 420488248 /nfs/dbraw/zinc/48/82/48/420488248.db2.gz RUNNVJHEEJVBJC-KBPBESRZSA-N 2 1 271.405 -0.296 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN[C@@H](CO)c1cnn(C)c1 ZINC000660271656 420488291 /nfs/dbraw/zinc/48/82/91/420488291.db2.gz ZWBMTZJDPGDESN-OLZOCXBDSA-N 2 1 270.377 -0.256 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000517338037 260148638 /nfs/dbraw/zinc/14/86/38/260148638.db2.gz BEYFXGUMXGYHNI-XBFCOCLRSA-N 2 1 295.431 -0.328 20 0 CBADMP Cc1nn(C)c(C)c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000517759530 260242039 /nfs/dbraw/zinc/24/20/39/260242039.db2.gz OWVXAOKVWJRIGQ-AAEUAGOBSA-N 2 1 277.372 -0.219 20 0 CBADMP Cc1nn(C)c(C)c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000517759530 260242041 /nfs/dbraw/zinc/24/20/41/260242041.db2.gz OWVXAOKVWJRIGQ-AAEUAGOBSA-N 2 1 277.372 -0.219 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(C(C)=O)cc1 ZINC000518375300 260389437 /nfs/dbraw/zinc/38/94/37/260389437.db2.gz PLEFXBKMYVFAOF-UONOGXRCSA-N 2 1 296.367 -0.201 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(C(C)=O)cc1 ZINC000518375301 260389793 /nfs/dbraw/zinc/38/97/93/260389793.db2.gz PLEFXBKMYVFAOF-ZIAGYGMSSA-N 2 1 296.367 -0.201 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000518945856 265238731 /nfs/dbraw/zinc/23/87/31/265238731.db2.gz AFIQHNJUSAWTAJ-NSHDSACASA-N 2 1 282.388 -0.832 20 0 CBADMP C[C@@H](CNC[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+](C)C ZINC000519387566 265412797 /nfs/dbraw/zinc/41/27/97/265412797.db2.gz LMKXLTWVFVUWFN-REWJHTLYSA-N 2 1 273.421 -0.004 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC[N@@H+]1C ZINC000420021770 276029720 /nfs/dbraw/zinc/02/97/20/276029720.db2.gz IJMVGIGVBWVGFK-WDEREUQCSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC[N@H+]1C ZINC000420021770 276029722 /nfs/dbraw/zinc/02/97/22/276029722.db2.gz IJMVGIGVBWVGFK-WDEREUQCSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000419835320 276029766 /nfs/dbraw/zinc/02/97/66/276029766.db2.gz ACPPJHUZKBMFKZ-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000419835320 276029767 /nfs/dbraw/zinc/02/97/67/276029767.db2.gz ACPPJHUZKBMFKZ-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187885929 276173229 /nfs/dbraw/zinc/17/32/29/276173229.db2.gz IFUUOHIOAGXXPC-GRYCIOLGSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)C[NH+](C)C)[C@H]2C1 ZINC000355301055 276217702 /nfs/dbraw/zinc/21/77/02/276217702.db2.gz NVIYISVRVHAPTN-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)C[NH+](C)C)[C@H]2C1 ZINC000355301055 276217703 /nfs/dbraw/zinc/21/77/03/276217703.db2.gz NVIYISVRVHAPTN-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC(C)(C)[NH3+])C[C@H]1C ZINC000420070044 276244668 /nfs/dbraw/zinc/24/46/68/276244668.db2.gz BTTZIBDQVIBCML-MNOVXSKESA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC(C)(C)[NH3+])C[C@H]1C ZINC000420070044 276244670 /nfs/dbraw/zinc/24/46/70/276244670.db2.gz BTTZIBDQVIBCML-MNOVXSKESA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000420011287 276378337 /nfs/dbraw/zinc/37/83/37/276378337.db2.gz YQJTXITZNLIWDO-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000368372648 276390277 /nfs/dbraw/zinc/39/02/77/276390277.db2.gz APSABPAMQXKDDP-QJPTWQEYSA-N 2 1 253.346 -0.473 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000368372648 276390279 /nfs/dbraw/zinc/39/02/79/276390279.db2.gz APSABPAMQXKDDP-QJPTWQEYSA-N 2 1 253.346 -0.473 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000376453086 276392069 /nfs/dbraw/zinc/39/20/69/276392069.db2.gz BNIPBFZJIUYSKI-UPJWGTAASA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000376453086 276392070 /nfs/dbraw/zinc/39/20/70/276392070.db2.gz BNIPBFZJIUYSKI-UPJWGTAASA-N 2 1 267.373 -0.083 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)C1 ZINC000442782999 277044028 /nfs/dbraw/zinc/04/40/28/277044028.db2.gz QXNOZDHNRUQLRT-MRVWCRGKSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)C1 ZINC000442782999 277044031 /nfs/dbraw/zinc/04/40/31/277044031.db2.gz QXNOZDHNRUQLRT-MRVWCRGKSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+](CCO)C2CCOCC2)CC1 ZINC000330436253 277088949 /nfs/dbraw/zinc/08/89/49/277088949.db2.gz NFOIIZWXKDWNAH-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCO)C2CCOCC2)CC1 ZINC000330436253 277088950 /nfs/dbraw/zinc/08/89/50/277088950.db2.gz NFOIIZWXKDWNAH-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000419555599 277266812 /nfs/dbraw/zinc/26/68/12/277266812.db2.gz JMKAJDLLTXILLQ-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000419584470 277295428 /nfs/dbraw/zinc/29/54/28/277295428.db2.gz KVBOVYXNCDLOQH-WDEREUQCSA-N 2 1 282.388 -0.594 20 0 CBADMP CC(C)(C[NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000430889620 277297937 /nfs/dbraw/zinc/29/79/37/277297937.db2.gz LUSIANJUHHEPPY-JTQLQIEISA-N 2 1 270.377 -0.573 20 0 CBADMP CC(C)([NH3+])CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000418409890 277307378 /nfs/dbraw/zinc/30/73/78/277307378.db2.gz ATDUGXJZHYCRFL-LLVKDONJSA-N 2 1 272.393 -0.130 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000342765446 277319924 /nfs/dbraw/zinc/31/99/24/277319924.db2.gz OJZPACZCIJZMMJ-WOPDTQHZSA-N 2 1 283.372 -0.038 20 0 CBADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C[NH3+] ZINC000422561156 278006166 /nfs/dbraw/zinc/00/61/66/278006166.db2.gz JKLKQOUZNKWRFS-GRYCIOLGSA-N 2 1 294.399 -0.111 20 0 CBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CNC(=O)C[NH3+] ZINC000262397710 278195440 /nfs/dbraw/zinc/19/54/40/278195440.db2.gz NESBWSKSGFQJIV-GRYCIOLGSA-N 2 1 284.404 -0.456 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[N@@H+](C)C1CC1 ZINC000419591443 278268703 /nfs/dbraw/zinc/26/87/03/278268703.db2.gz RCXHDZXANKAGIQ-GRYCIOLGSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000351518589 278270071 /nfs/dbraw/zinc/27/00/71/278270071.db2.gz CRBGHLVSYSMVDF-JQWIXIFHSA-N 2 1 282.388 -0.547 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000420017928 278886507 /nfs/dbraw/zinc/88/65/07/278886507.db2.gz PCWQJVNLHPIDPT-ZDUSSCGKSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419338009 288115500 /nfs/dbraw/zinc/11/55/00/288115500.db2.gz RRFQAWYDHDNRNA-WZRBSPASSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000355296529 279257069 /nfs/dbraw/zinc/25/70/69/279257069.db2.gz HQLXETUQEXAQQH-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+]1CCC([N@H+](C)CCC(=O)NC(N)=O)CC1 ZINC000073827651 279258024 /nfs/dbraw/zinc/25/80/24/279258024.db2.gz KSIHXRZQQHYCCM-UHFFFAOYSA-N 2 1 256.350 -0.013 20 0 CBADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)NC(N)=O)CC1 ZINC000073827651 279258028 /nfs/dbraw/zinc/25/80/28/279258028.db2.gz KSIHXRZQQHYCCM-UHFFFAOYSA-N 2 1 256.350 -0.013 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000332390177 279282830 /nfs/dbraw/zinc/28/28/30/279282830.db2.gz ZOZYISSOROMWOK-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000332247874 279284309 /nfs/dbraw/zinc/28/43/09/279284309.db2.gz AZYYSTDPVNIRRO-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP 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 288120899 /nfs/dbraw/zinc/12/08/99/288120899.db2.gz MJWWUERTUUNDJR-WSLQDRLSSA-N 2 1 264.373 -0.014 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000419576804 279325705 /nfs/dbraw/zinc/32/57/05/279325705.db2.gz CKGGVORZRTZWKX-CKYFFXLPSA-N 2 1 282.388 -0.609 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2C[NH2+]C2)CC1=O ZINC000378189422 279330950 /nfs/dbraw/zinc/33/09/50/279330950.db2.gz YATMAJNLNVLDPX-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000357284426 279384990 /nfs/dbraw/zinc/38/49/90/279384990.db2.gz HUEHFRBZHHMZGU-ZIAGYGMSSA-N 2 1 296.415 -0.787 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000357284426 279384992 /nfs/dbraw/zinc/38/49/92/279384992.db2.gz HUEHFRBZHHMZGU-ZIAGYGMSSA-N 2 1 296.415 -0.787 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000360820995 279389555 /nfs/dbraw/zinc/38/95/55/279389555.db2.gz WWXWTLJPWWNZPM-GXTWGEPZSA-N 2 1 267.373 -0.081 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000360820995 279389557 /nfs/dbraw/zinc/38/95/57/279389557.db2.gz WWXWTLJPWWNZPM-GXTWGEPZSA-N 2 1 267.373 -0.081 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@](C)(C[NH3+])C2CC2)C1 ZINC000252656799 279392601 /nfs/dbraw/zinc/39/26/01/279392601.db2.gz VZMNKLPJMNCRSF-WCQYABFASA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@](C)(C[NH3+])C2CC2)C1 ZINC000252656799 279392604 /nfs/dbraw/zinc/39/26/04/279392604.db2.gz VZMNKLPJMNCRSF-WCQYABFASA-N 2 1 255.362 -0.049 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000419982068 280282882 /nfs/dbraw/zinc/28/28/82/280282882.db2.gz SQLQKQYNHIDTAC-QWHCGFSZSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000262367725 280352394 /nfs/dbraw/zinc/35/23/94/280352394.db2.gz LGQXAQBOIDTFTO-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000515224656 288306659 /nfs/dbraw/zinc/30/66/59/288306659.db2.gz WYSMKDYLTXDPPL-KGYLQXTDSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)CCC[N@H+]1C ZINC000419563352 289049651 /nfs/dbraw/zinc/04/96/51/289049651.db2.gz WHKHSROFXYBJGC-GHMZBOCLSA-N 2 1 282.388 -0.417 20 0 CBADMP 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 289056800 /nfs/dbraw/zinc/05/68/00/289056800.db2.gz MCMWVOVQRZRUAQ-ZIQFBCGOSA-N 2 1 252.362 -0.014 20 0 CBADMP C[NH+](C)CCNC(=O)CCCN1CCC([NH3+])CC1 ZINC000357237059 289160640 /nfs/dbraw/zinc/16/06/40/289160640.db2.gz FDAZYXNDMUXQQP-UHFFFAOYSA-N 2 1 256.394 -0.133 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430662016 289271239 /nfs/dbraw/zinc/27/12/39/289271239.db2.gz HLZOHCOZQJBHGU-FRRDWIJNSA-N 2 1 296.415 -0.231 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430662016 289271242 /nfs/dbraw/zinc/27/12/42/289271242.db2.gz HLZOHCOZQJBHGU-FRRDWIJNSA-N 2 1 296.415 -0.231 20 0 CBADMP C[C@H](CNC(=O)[C@H](C)C1C[NH2+]C1)C[NH+]1CCOCC1 ZINC000357205393 289680394 /nfs/dbraw/zinc/68/03/94/289680394.db2.gz VVQKOKQMLNPFLH-VXGBXAGGSA-N 2 1 269.389 -0.074 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436287989 290035603 /nfs/dbraw/zinc/03/56/03/290035603.db2.gz DWAZKHQXXLWNBC-UMVBOHGHSA-N 2 1 280.416 -0.262 20 0 CBADMP C[NH+]1CCN([C@@H]2CCCCN(C(=O)C3C[NH2+]C3)C2)CC1 ZINC000367828490 290054725 /nfs/dbraw/zinc/05/47/25/290054725.db2.gz UUFLUMLACDPIBT-CQSZACIVSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC000245681669 290085125 /nfs/dbraw/zinc/08/51/25/290085125.db2.gz KZRSLRSXDMKSQD-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1C ZINC000430724001 290092971 /nfs/dbraw/zinc/09/29/71/290092971.db2.gz UNWGGNOJHHXRSO-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000332713211 290171354 /nfs/dbraw/zinc/17/13/54/290171354.db2.gz LRJIQRJIZOYVBP-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+]1CC[C@]2(CC[NH+](CCCS(N)(=O)=O)C2)C1 ZINC000336707175 290252227 /nfs/dbraw/zinc/25/22/27/290252227.db2.gz LRWOZKDWOWYLBU-NSHDSACASA-N 2 1 261.391 -0.307 20 0 CBADMP C[N@H+]1CC[C@]2(CC[NH+](CCCS(N)(=O)=O)C2)C1 ZINC000336707175 290252228 /nfs/dbraw/zinc/25/22/28/290252228.db2.gz LRWOZKDWOWYLBU-NSHDSACASA-N 2 1 261.391 -0.307 20 0 CBADMP C[NH+]1CC[C@]2(CC[N@H+](CCCS(N)(=O)=O)C2)C1 ZINC000336707175 290252229 /nfs/dbraw/zinc/25/22/29/290252229.db2.gz LRWOZKDWOWYLBU-NSHDSACASA-N 2 1 261.391 -0.307 20 0 CBADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCS(N)(=O)=O)C2)C1 ZINC000336707175 290252230 /nfs/dbraw/zinc/25/22/30/290252230.db2.gz LRWOZKDWOWYLBU-NSHDSACASA-N 2 1 261.391 -0.307 20 0 CBADMP COC[C@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000354068573 293118116 /nfs/dbraw/zinc/11/81/16/293118116.db2.gz PVOJFNRJOYYPCB-KOLCDFICSA-N 2 1 254.334 -0.082 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000368445769 295050484 /nfs/dbraw/zinc/05/04/84/295050484.db2.gz NMAVDMPLRUXUBJ-GFCCVEGCSA-N 2 1 282.388 -0.334 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000368445769 295050489 /nfs/dbraw/zinc/05/04/89/295050489.db2.gz NMAVDMPLRUXUBJ-GFCCVEGCSA-N 2 1 282.388 -0.334 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000353770929 295056198 /nfs/dbraw/zinc/05/61/98/295056198.db2.gz VOMWEKYQLZZPTP-KGYLQXTDSA-N 2 1 294.399 -0.336 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000353770929 295056201 /nfs/dbraw/zinc/05/62/01/295056201.db2.gz VOMWEKYQLZZPTP-KGYLQXTDSA-N 2 1 294.399 -0.336 20 0 CBADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000333938556 295259807 /nfs/dbraw/zinc/25/98/07/295259807.db2.gz MNPXYCZRDCYADA-JHJVBQTASA-N 2 1 282.388 -0.018 20 0 CBADMP [NH3+][C@H](CC(F)F)C(=O)NCCC[NH+]1CCOCC1 ZINC000311226592 295330401 /nfs/dbraw/zinc/33/04/01/295330401.db2.gz XPYWMVMXYOYGBU-SECBINFHSA-N 2 1 265.304 -0.193 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349029316 300231635 /nfs/dbraw/zinc/23/16/35/300231635.db2.gz QLTSJAQAXIMMOT-GWCFXTLKSA-N 2 1 267.373 -0.036 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363256520 303268820 /nfs/dbraw/zinc/26/88/20/303268820.db2.gz LIELMUXHJJSXDX-IJLUTSLNSA-N 2 1 280.372 -0.013 20 0 CBADMP NC(=O)NC(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363256520 303268822 /nfs/dbraw/zinc/26/88/22/303268822.db2.gz LIELMUXHJJSXDX-IJLUTSLNSA-N 2 1 280.372 -0.013 20 0 CBADMP NC(=O)NC(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363256520 303268824 /nfs/dbraw/zinc/26/88/24/303268824.db2.gz LIELMUXHJJSXDX-IJLUTSLNSA-N 2 1 280.372 -0.013 20 0 CBADMP O=C(NC[C@H]1C[NH2+]CCCO1)N1CC[NH+](C2CC2)CC1 ZINC000333832978 303810481 /nfs/dbraw/zinc/81/04/81/303810481.db2.gz MUKJVXDCOBNMHH-CYBMUJFWSA-N 2 1 282.388 -0.146 20 0 CBADMP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000580715390 327732832 /nfs/dbraw/zinc/73/28/32/327732832.db2.gz AJTRQNVBMBXCRY-GXFFZTMASA-N 2 1 279.340 -0.200 20 0 CBADMP C[C@@H](C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000575315745 335092635 /nfs/dbraw/zinc/09/26/35/335092635.db2.gz BFYULEMUWXQBTK-AVGNSLFASA-N 2 1 268.405 -0.169 20 0 CBADMP CN1CCN(C(=O)CC(F)(F)C[NH3+])[C@@H](C[NH3+])C1 ZINC000563337152 328054604 /nfs/dbraw/zinc/05/46/04/328054604.db2.gz RDDIXWRCZYCSQY-QMMMGPOBSA-N 2 1 250.293 -0.928 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000563397108 328061942 /nfs/dbraw/zinc/06/19/42/328061942.db2.gz ZMGBUKWADNPMRQ-KBPBESRZSA-N 2 1 298.431 -0.853 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000563597506 328076089 /nfs/dbraw/zinc/07/60/89/328076089.db2.gz XSKWOPKYIXYZCX-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000563597506 328076090 /nfs/dbraw/zinc/07/60/90/328076090.db2.gz XSKWOPKYIXYZCX-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000563597506 328076092 /nfs/dbraw/zinc/07/60/92/328076092.db2.gz XSKWOPKYIXYZCX-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000563661421 328082087 /nfs/dbraw/zinc/08/20/87/328082087.db2.gz XEJRKNXTWSCXMH-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000563661421 328082089 /nfs/dbraw/zinc/08/20/89/328082089.db2.gz XEJRKNXTWSCXMH-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+]2CC=CCC2)C1 ZINC000392868140 329058938 /nfs/dbraw/zinc/05/89/38/329058938.db2.gz WESAUJXISKHPHU-NWDGAFQWSA-N 2 1 253.346 -0.259 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000571149650 328088192 /nfs/dbraw/zinc/08/81/92/328088192.db2.gz MZDPUEWZLKNUGQ-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000571283968 328097790 /nfs/dbraw/zinc/09/77/90/328097790.db2.gz JQBTWOURADSYPQ-IJLUTSLNSA-N 2 1 284.404 -0.171 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@@H+](CCO)C1CCOCC1 ZINC000571533373 328132208 /nfs/dbraw/zinc/13/22/08/328132208.db2.gz PETDVENLEDWUSV-CQSZACIVSA-N 2 1 290.404 -0.601 20 0 CBADMP Cc1nccc(N2CC[NH+](CCOCC[NH3+])CC2)n1 ZINC000571521927 328131293 /nfs/dbraw/zinc/13/12/93/328131293.db2.gz DQESDSGJLGNKEH-UHFFFAOYSA-N 2 1 265.361 -0.118 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000582966062 329294786 /nfs/dbraw/zinc/29/47/86/329294786.db2.gz DQOOICKZNAMASX-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000388787991 328303496 /nfs/dbraw/zinc/30/34/96/328303496.db2.gz NVCIURFNNJKWJK-UONOGXRCSA-N 2 1 273.421 -0.049 20 0 CBADMP O=C1C[C@@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C(=O)N1 ZINC000565488471 326939248 /nfs/dbraw/zinc/93/92/48/326939248.db2.gz MBUDXIYHSHULIR-CYBMUJFWSA-N 2 1 295.383 -0.022 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000576104318 327016964 /nfs/dbraw/zinc/01/69/64/327016964.db2.gz BEDAPRUEPPRPRU-UONOGXRCSA-N 2 1 298.431 -0.411 20 0 CBADMP C[NH+](C)CC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000558351449 327088550 /nfs/dbraw/zinc/08/85/50/327088550.db2.gz OTKICAYKLBLLEM-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1([NH3+])CCC1 ZINC000564897750 327118603 /nfs/dbraw/zinc/11/86/03/327118603.db2.gz QDVIQECUDVTKTE-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000559247089 327150075 /nfs/dbraw/zinc/15/00/75/327150075.db2.gz DZTLCQYNWJBKKT-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000559247089 327150077 /nfs/dbraw/zinc/15/00/77/327150077.db2.gz DZTLCQYNWJBKKT-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000566212463 327196777 /nfs/dbraw/zinc/19/67/77/327196777.db2.gz QXUMQRCGRAJQJA-VXGBXAGGSA-N 2 1 271.361 -0.798 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000566212463 327196778 /nfs/dbraw/zinc/19/67/78/327196778.db2.gz QXUMQRCGRAJQJA-VXGBXAGGSA-N 2 1 271.361 -0.798 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2C[NH2+]C2)C[C@H]1C ZINC000569560218 327197910 /nfs/dbraw/zinc/19/79/10/327197910.db2.gz ZKWMZRWUIYPYNR-ZJUUUORDSA-N 2 1 268.361 -0.985 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2C[NH2+]C2)C[C@H]1C ZINC000569560218 327197911 /nfs/dbraw/zinc/19/79/11/327197911.db2.gz ZKWMZRWUIYPYNR-ZJUUUORDSA-N 2 1 268.361 -0.985 20 0 CBADMP CC(C)(C[NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000584290438 327222601 /nfs/dbraw/zinc/22/26/01/327222601.db2.gz ADGXWELZXYAKCV-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000584299796 327229898 /nfs/dbraw/zinc/22/98/98/327229898.db2.gz VRMXRGGELIWTAR-DYEKYZERSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@@H]1C[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H](C)N1 ZINC000564969598 327290182 /nfs/dbraw/zinc/29/01/82/327290182.db2.gz VEHYTKCJDCSYDA-JHJVBQTASA-N 2 1 268.405 -0.134 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000566296432 327290919 /nfs/dbraw/zinc/29/09/19/327290919.db2.gz QVNFYDCOUXOGLF-DOMZBBRYSA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH2+][C@H](C(=O)NCCOCC[NH+](C)C)c1cnn(C)c1 ZINC000574397908 327326098 /nfs/dbraw/zinc/32/60/98/327326098.db2.gz IKUKJOPDPZKIQL-LBPRGKRZSA-N 2 1 283.376 -0.625 20 0 CBADMP C[NH+](C)[C@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H]1O ZINC000566426186 327359350 /nfs/dbraw/zinc/35/93/50/327359350.db2.gz PEZJSGXWHVLSCV-AVGNSLFASA-N 2 1 257.378 -0.952 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566497211 327399629 /nfs/dbraw/zinc/39/96/29/327399629.db2.gz XZAWKCTVFFXOLV-RWMBFGLXSA-N 2 1 294.399 -0.369 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cnn(C)c1 ZINC000570330784 327583167 /nfs/dbraw/zinc/58/31/67/327583167.db2.gz MXESUIRFBDGQOE-NXEZZACHSA-N 2 1 287.314 -0.206 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000584349877 328730482 /nfs/dbraw/zinc/73/04/82/328730482.db2.gz XJBMAWCCAMILIZ-YNEHKIRRSA-N 2 1 285.388 -0.280 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@H+]2CC=CCC2)C1 ZINC000392868140 329058936 /nfs/dbraw/zinc/05/89/36/329058936.db2.gz WESAUJXISKHPHU-NWDGAFQWSA-N 2 1 253.346 -0.259 20 0 CBADMP C[N@@H+](C[C@@H](O)CNCC(=O)NCC1CC1)C1CC1 ZINC000393071824 329066690 /nfs/dbraw/zinc/06/66/90/329066690.db2.gz MSKSPOAKPNWFCB-LBPRGKRZSA-N 2 1 255.362 -0.443 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000393967024 329097924 /nfs/dbraw/zinc/09/79/24/329097924.db2.gz RGEYJLCNIBOBEM-RYUDHWBXSA-N 2 1 262.394 -0.078 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000393967024 329097926 /nfs/dbraw/zinc/09/79/26/329097926.db2.gz RGEYJLCNIBOBEM-RYUDHWBXSA-N 2 1 262.394 -0.078 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN(C)CCC[NH+]1CCN(C)CC1 ZINC000582495023 329100463 /nfs/dbraw/zinc/10/04/63/329100463.db2.gz SYDZNWJGRDUZBY-OAHLLOKOSA-N 3 1 286.464 -0.132 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)c1csc(C[NH3+])n1 ZINC000582844965 329277511 /nfs/dbraw/zinc/27/75/11/329277511.db2.gz VWNXCWPPGSIDRL-MRVPVSSYSA-N 2 1 269.374 -0.765 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000582916565 329288610 /nfs/dbraw/zinc/28/86/10/329288610.db2.gz VRYZJRJFHRSDID-UHFFFAOYSA-N 2 1 256.350 -0.996 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCN3CC[NH2+]CC3)C[C@@H]21 ZINC000583084310 329311955 /nfs/dbraw/zinc/31/19/55/329311955.db2.gz LXOPWGPBSRQXJH-MELADBBJSA-N 3 1 252.406 -0.049 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000583141075 329321003 /nfs/dbraw/zinc/32/10/03/329321003.db2.gz VMLMQRNUWBLPCL-RYUDHWBXSA-N 2 1 297.399 -0.062 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000571765793 329918675 /nfs/dbraw/zinc/91/86/75/329918675.db2.gz IUXFCOWVVZKPDP-PHIMTYICSA-N 2 1 282.388 -0.608 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000571891136 329928556 /nfs/dbraw/zinc/92/85/56/329928556.db2.gz LRQXSXSLJMYRSM-IUCAKERBSA-N 2 1 263.288 -0.440 20 0 CBADMP C[C@H]1C[N@@H+](CCC[NH2+]CCC(=O)NC(N)=O)CCCO1 ZINC000572357112 330001127 /nfs/dbraw/zinc/00/11/27/330001127.db2.gz DIPPBCURNVICML-NSHDSACASA-N 2 1 286.376 -0.338 20 0 CBADMP Cn1cc[nH+]c1N1CCC(NC(=O)COC2C[NH2+]C2)CC1 ZINC000566194880 334634893 /nfs/dbraw/zinc/63/48/93/334634893.db2.gz PJKNYDBKSDCYAG-UHFFFAOYSA-N 2 1 293.371 -0.507 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000575815365 335118541 /nfs/dbraw/zinc/11/85/41/335118541.db2.gz LCTXRRYRAASTNU-NSHDSACASA-N 2 1 295.387 -0.249 20 0 CBADMP CC(C)[NH2+]CCC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000575865887 335125499 /nfs/dbraw/zinc/12/54/99/335125499.db2.gz YSWKHXLAMHSRAT-LBPRGKRZSA-N 2 1 284.404 -0.170 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@H]1C ZINC000311179754 334038248 /nfs/dbraw/zinc/03/82/48/334038248.db2.gz XXYWVCMYBPGYFS-OLZOCXBDSA-N 2 1 259.394 -0.439 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000564328816 334111546 /nfs/dbraw/zinc/11/15/46/334111546.db2.gz UGAQNHWOEAEJIN-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000564949348 334529807 /nfs/dbraw/zinc/52/98/07/334529807.db2.gz HRYXBAVLPJNCFK-KBPBESRZSA-N 2 1 290.367 -0.067 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000565420498 334561898 /nfs/dbraw/zinc/56/18/98/334561898.db2.gz KBIWLZOFKCSFKA-MRVPVSSYSA-N 2 1 251.277 -0.535 20 0 CBADMP C[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000576989232 335274506 /nfs/dbraw/zinc/27/45/06/335274506.db2.gz NHIQHJGIIADOPJ-RYUDHWBXSA-N 2 1 254.378 -0.510 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000576999367 335276069 /nfs/dbraw/zinc/27/60/69/335276069.db2.gz WDCSSRUBPVJAHR-ZWNOBZJWSA-N 2 1 297.359 -0.718 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000576999367 335276071 /nfs/dbraw/zinc/27/60/71/335276071.db2.gz WDCSSRUBPVJAHR-ZWNOBZJWSA-N 2 1 297.359 -0.718 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CN2CCNCC2=O)CC[N@H+]1C ZINC000580560467 335281063 /nfs/dbraw/zinc/28/10/63/335281063.db2.gz HIYIAFSDOMRKRS-GHMZBOCLSA-N 2 1 268.361 -0.983 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000577062360 335293558 /nfs/dbraw/zinc/29/35/58/335293558.db2.gz HOAIRPAMXMIYFR-LLVKDONJSA-N 2 1 271.361 -0.274 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000580647003 335310677 /nfs/dbraw/zinc/31/06/77/335310677.db2.gz VNIIJTJBJVXYQE-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000577493894 335358938 /nfs/dbraw/zinc/35/89/38/335358938.db2.gz HDLVLJVTDFRXQE-LOWDOPEQSA-N 2 1 283.372 -0.705 20 0 CBADMP C[N@@H+](CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000577509815 335362530 /nfs/dbraw/zinc/36/25/30/335362530.db2.gz UDBBQGRPVCLKCV-RYUDHWBXSA-N 2 1 295.387 -0.966 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000577513852 335363225 /nfs/dbraw/zinc/36/32/25/335363225.db2.gz ZXPDGZLWODSUMP-OLZOCXBDSA-N 2 1 268.357 -0.095 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000577608155 335377552 /nfs/dbraw/zinc/37/75/52/335377552.db2.gz VSDAFYFHCKLYEW-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000577608155 335377553 /nfs/dbraw/zinc/37/75/53/335377553.db2.gz VSDAFYFHCKLYEW-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000578617394 335654077 /nfs/dbraw/zinc/65/40/77/335654077.db2.gz LIRGPVWTJSGOLV-ZDUSSCGKSA-N 2 1 294.399 -0.510 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@@H]1[NH3+] ZINC000579109848 335710152 /nfs/dbraw/zinc/71/01/52/335710152.db2.gz RBEKXRRXEOJBCD-YPMHNXCESA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H]([NH3+])CCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000193324473 335967492 /nfs/dbraw/zinc/96/74/92/335967492.db2.gz BBAQSFQPTMYUJO-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381057471 336047405 /nfs/dbraw/zinc/04/74/05/336047405.db2.gz UHGOBESFQOANEZ-LPEHRKFASA-N 2 1 254.334 -0.499 20 0 CBADMP COC(=O)CC[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000581370578 336063015 /nfs/dbraw/zinc/06/30/15/336063015.db2.gz DEDCEXGFXWCZLO-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000382974060 336100462 /nfs/dbraw/zinc/10/04/62/336100462.db2.gz SAPZSLYSBCIZPI-LBPRGKRZSA-N 2 1 268.405 -0.119 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CCC(=O)N1CCOCC1)C1CC1 ZINC000383811842 336118254 /nfs/dbraw/zinc/11/82/54/336118254.db2.gz FJBSOSWIHZZGJO-ZDUSSCGKSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC(=O)N1CCOCC1)C1CC1 ZINC000383811842 336118255 /nfs/dbraw/zinc/11/82/55/336118255.db2.gz FJBSOSWIHZZGJO-ZDUSSCGKSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH2+][C@@H](C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000581894547 336162162 /nfs/dbraw/zinc/16/21/62/336162162.db2.gz WQZQUFBYUNDWSF-VHSXEESVSA-N 2 1 256.350 -0.950 20 0 CBADMP COC[C@](C)(CCO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000754668659 582299916 /nfs/dbraw/zinc/29/99/16/582299916.db2.gz STWGIBRONLZIAE-OLZOCXBDSA-N 2 1 260.378 -0.180 20 0 CBADMP C[C@H](O)C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)CO ZINC000785537534 582376248 /nfs/dbraw/zinc/37/62/48/582376248.db2.gz QNOOVKOGIODXDB-AVGNSLFASA-N 2 1 260.378 -0.493 20 0 CBADMP C[C@H](O)C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)CO ZINC000785537534 582376249 /nfs/dbraw/zinc/37/62/49/582376249.db2.gz QNOOVKOGIODXDB-AVGNSLFASA-N 2 1 260.378 -0.493 20 0 CBADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000354694008 534426512 /nfs/dbraw/zinc/42/65/12/534426512.db2.gz PSTGQGIQYXMZBW-WCQYABFASA-N 2 1 294.399 -0.402 20 0 CBADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221174808 519739155 /nfs/dbraw/zinc/73/91/55/519739155.db2.gz YAQGEFUHESKOGI-CHWSQXEVSA-N 2 1 298.431 -0.066 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000220941382 521631208 /nfs/dbraw/zinc/63/12/08/521631208.db2.gz QBFASUNBUKHKGP-UTUOFQBUSA-N 2 1 255.362 -0.348 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261564296 536320831 /nfs/dbraw/zinc/32/08/31/536320831.db2.gz HEOGDLUAIKRJMX-NXEZZACHSA-N 2 1 254.334 -0.627 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261564296 536320832 /nfs/dbraw/zinc/32/08/32/536320832.db2.gz HEOGDLUAIKRJMX-NXEZZACHSA-N 2 1 254.334 -0.627 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000357172452 536790767 /nfs/dbraw/zinc/79/07/67/536790767.db2.gz HOGHLWCSUBSXRQ-NSHDSACASA-N 2 1 257.378 -0.074 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000357172451 536791122 /nfs/dbraw/zinc/79/11/22/536791122.db2.gz HOGHLWCSUBSXRQ-LLVKDONJSA-N 2 1 257.378 -0.074 20 0 CBADMP O=C(CC[NH2+]C1CC1)NCCC[NH+]1CCOCC1 ZINC000037612171 582112571 /nfs/dbraw/zinc/11/25/71/582112571.db2.gz NGYFKCWEQJUPJN-UHFFFAOYSA-N 2 1 255.362 -0.033 20 0 CBADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000111660943 582115265 /nfs/dbraw/zinc/11/52/65/582115265.db2.gz XXTJYKXLOKSINL-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000111660943 582115266 /nfs/dbraw/zinc/11/52/66/582115266.db2.gz XXTJYKXLOKSINL-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000111758140 582115522 /nfs/dbraw/zinc/11/55/22/582115522.db2.gz TVXDREPYCJPVOA-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP CC(C)[C@@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)[NH+](C)C ZINC000129829865 582123300 /nfs/dbraw/zinc/12/33/00/582123300.db2.gz ITCZIEBKGXDACJ-ZDUSSCGKSA-N 2 1 284.404 -0.362 20 0 CBADMP CC1CC[NH+](CC(=O)NC2CC[NH+](CC(N)=O)CC2)CC1 ZINC000136106254 582125763 /nfs/dbraw/zinc/12/57/63/582125763.db2.gz BUTACAMAQMHSJU-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000725889825 582135615 /nfs/dbraw/zinc/13/56/15/582135615.db2.gz LRICETLYSHPANG-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000725889825 582135617 /nfs/dbraw/zinc/13/56/17/582135617.db2.gz LRICETLYSHPANG-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000729529205 582146915 /nfs/dbraw/zinc/14/69/15/582146915.db2.gz NELNDSSBZZSGNL-XQQFMLRXSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000729529205 582146916 /nfs/dbraw/zinc/14/69/16/582146916.db2.gz NELNDSSBZZSGNL-XQQFMLRXSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000729529205 582146917 /nfs/dbraw/zinc/14/69/17/582146917.db2.gz NELNDSSBZZSGNL-XQQFMLRXSA-N 2 1 267.373 -0.083 20 0 CBADMP CN1CC[N@H+](C)C[C@@H]1CNC(=S)NCC[NH+](C)C ZINC000731947564 582155735 /nfs/dbraw/zinc/15/57/35/582155735.db2.gz FOKFEIJERREYHS-NSHDSACASA-N 2 1 273.450 -0.742 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=S)NCC[NH+](C)C ZINC000731947564 582155736 /nfs/dbraw/zinc/15/57/36/582155736.db2.gz FOKFEIJERREYHS-NSHDSACASA-N 2 1 273.450 -0.742 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC000733161089 582161742 /nfs/dbraw/zinc/16/17/42/582161742.db2.gz IFSRKJPCBFXWEV-UHFFFAOYSA-N 2 1 298.431 -0.538 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCCC[NH+]1CCC(O)CC1 ZINC000736190168 582199547 /nfs/dbraw/zinc/19/95/47/582199547.db2.gz CDAMMGIHABZINY-UHFFFAOYSA-N 2 1 299.415 -0.328 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000736219652 582200767 /nfs/dbraw/zinc/20/07/67/582200767.db2.gz AHSXICPVHWSLLR-ZIAGYGMSSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000736219652 582200769 /nfs/dbraw/zinc/20/07/69/582200769.db2.gz AHSXICPVHWSLLR-ZIAGYGMSSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000746112528 582283471 /nfs/dbraw/zinc/28/34/71/582283471.db2.gz NENHNUBPMPOQDO-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH+](C)C1(C(=O)NC2CC[NH+](CC(N)=O)CC2)CCC1 ZINC000762971327 582318805 /nfs/dbraw/zinc/31/88/05/582318805.db2.gz HOXKCKJVSNLSAE-UHFFFAOYSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+](C)C1(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCC1 ZINC000763044305 582319131 /nfs/dbraw/zinc/31/91/31/582319131.db2.gz LVBPIEIXZMUCQS-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1C ZINC000768849005 582334769 /nfs/dbraw/zinc/33/47/69/582334769.db2.gz ZWYDHRACLDFSFY-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1C ZINC000768849005 582334770 /nfs/dbraw/zinc/33/47/70/582334770.db2.gz ZWYDHRACLDFSFY-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NC2CC2)C1 ZINC000779652068 582362257 /nfs/dbraw/zinc/36/22/57/582362257.db2.gz FXBFVQMRJSJVKD-NSHDSACASA-N 2 1 284.360 -0.127 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NC2CC2)C1 ZINC000779652068 582362258 /nfs/dbraw/zinc/36/22/58/582362258.db2.gz FXBFVQMRJSJVKD-NSHDSACASA-N 2 1 284.360 -0.127 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)CN1CC[NH+](C)CC1 ZINC000783918028 582373052 /nfs/dbraw/zinc/37/30/52/582373052.db2.gz CGWNNUUAEWUDMG-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)CN1CC[NH+](C)CC1 ZINC000783918028 582373053 /nfs/dbraw/zinc/37/30/53/582373053.db2.gz CGWNNUUAEWUDMG-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP NC(=O)c1c[nH+]ccc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000785803143 582377125 /nfs/dbraw/zinc/37/71/25/582377125.db2.gz XFDHNOHRVHRYIP-QWRGUYRKSA-N 2 1 276.340 -0.123 20 0 CBADMP NC(=O)c1c[nH+]ccc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000785803143 582377126 /nfs/dbraw/zinc/37/71/26/582377126.db2.gz XFDHNOHRVHRYIP-QWRGUYRKSA-N 2 1 276.340 -0.123 20 0 CBADMP NC(=O)c1c[nH+]ccc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000785803141 582377153 /nfs/dbraw/zinc/37/71/53/582377153.db2.gz XFDHNOHRVHRYIP-MNOVXSKESA-N 2 1 276.340 -0.123 20 0 CBADMP NC(=O)c1c[nH+]ccc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000785803141 582377154 /nfs/dbraw/zinc/37/71/54/582377154.db2.gz XFDHNOHRVHRYIP-MNOVXSKESA-N 2 1 276.340 -0.123 20 0 CBADMP NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000786806799 582379595 /nfs/dbraw/zinc/37/95/95/582379595.db2.gz JEHOTXFHKXLDGI-ZDUSSCGKSA-N 2 1 294.399 -0.321 20 0 CBADMP NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000786806799 582379596 /nfs/dbraw/zinc/37/95/96/582379596.db2.gz JEHOTXFHKXLDGI-ZDUSSCGKSA-N 2 1 294.399 -0.321 20 0 CBADMP O=C1C[C@@]2(CC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)CN1 ZINC000789355433 582388206 /nfs/dbraw/zinc/38/82/06/582388206.db2.gz RQNYQFXZWXMSPQ-OCCSQVGLSA-N 2 1 267.373 -0.345 20 0 CBADMP Cc1nn[nH]c1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000789935659 582389596 /nfs/dbraw/zinc/38/95/96/582389596.db2.gz NYKLLQOPKYWOTF-UHFFFAOYSA-N 2 1 268.365 -0.321 20 0 CBADMP O=C1N[C@H]2CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@@H]2CO1 ZINC000799180173 582419298 /nfs/dbraw/zinc/41/92/98/582419298.db2.gz QCHXVJXQZWRBHS-AGIUHOORSA-N 2 1 283.372 -0.127 20 0 CBADMP O=C1N[C@H]2CC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@@H]2CO1 ZINC000799180173 582419299 /nfs/dbraw/zinc/41/92/99/582419299.db2.gz QCHXVJXQZWRBHS-AGIUHOORSA-N 2 1 283.372 -0.127 20 0 CBADMP O=C(C[NH+]1CCCC1)NCC[N@@H+]1CCCOCC1 ZINC000822301079 582631407 /nfs/dbraw/zinc/63/14/07/582631407.db2.gz KMUOKGXNQJGIBV-UHFFFAOYSA-N 2 1 255.362 -0.079 20 0 CBADMP O=C(C[NH+]1CCCC1)NCC[N@H+]1CCCOCC1 ZINC000822301079 582631409 /nfs/dbraw/zinc/63/14/09/582631409.db2.gz KMUOKGXNQJGIBV-UHFFFAOYSA-N 2 1 255.362 -0.079 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)CC[C@@H]21 ZINC000827290389 582809446 /nfs/dbraw/zinc/80/94/46/582809446.db2.gz TWYIXBDNJNLTBR-ILXRZTDVSA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC[C@@H]21 ZINC000827290389 582809450 /nfs/dbraw/zinc/80/94/50/582809450.db2.gz TWYIXBDNJNLTBR-ILXRZTDVSA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC[C@@H]21 ZINC000827290389 582809452 /nfs/dbraw/zinc/80/94/52/582809452.db2.gz TWYIXBDNJNLTBR-ILXRZTDVSA-N 2 1 292.427 -0.071 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000827474011 582818001 /nfs/dbraw/zinc/81/80/01/582818001.db2.gz NJQMIFMCLRMGGD-MNOVXSKESA-N 2 1 271.361 -0.133 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000827529636 582820763 /nfs/dbraw/zinc/82/07/63/582820763.db2.gz SSFPSLXWHZQYQK-VIFPVBQESA-N 2 1 263.345 -0.121 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000827936145 582836194 /nfs/dbraw/zinc/83/61/94/582836194.db2.gz FPENSSYOQOXLJD-CXTNEJHOSA-N 2 1 279.384 -0.035 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)CC2)C1 ZINC000829716115 582895926 /nfs/dbraw/zinc/89/59/26/582895926.db2.gz VQESVUOEVMMDIB-DZGCQCFKSA-N 2 1 298.406 -0.074 20 0 CBADMP C[C@]1(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000831031363 582950804 /nfs/dbraw/zinc/95/08/04/582950804.db2.gz OJTOBBMSBKNHAB-DYEKYZERSA-N 2 1 282.388 -0.099 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)NCCCCCC[NH3+])C1 ZINC000831274352 582973655 /nfs/dbraw/zinc/97/36/55/582973655.db2.gz ITHGMUQWXMGECV-ZDUSSCGKSA-N 2 1 272.393 -0.129 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000831970732 583008874 /nfs/dbraw/zinc/00/88/74/583008874.db2.gz KUCXUNRHVAACBF-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000831971418 583009255 /nfs/dbraw/zinc/00/92/55/583009255.db2.gz XGJZNRSARQGUSJ-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000833559456 583073400 /nfs/dbraw/zinc/07/34/00/583073400.db2.gz PQERGOZOAAWGEL-AWEZNQCLSA-N 2 1 299.415 -0.328 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000833559456 583073403 /nfs/dbraw/zinc/07/34/03/583073403.db2.gz PQERGOZOAAWGEL-AWEZNQCLSA-N 2 1 299.415 -0.328 20 0 CBADMP [NH3+][C@H](CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000834536585 583130517 /nfs/dbraw/zinc/13/05/17/583130517.db2.gz IIEPKYPOMQJRFQ-QWHCGFSZSA-N 2 1 294.399 -0.463 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000840456010 583165156 /nfs/dbraw/zinc/16/51/56/583165156.db2.gz HXSZOZQZHAAYPG-CQSZACIVSA-N 2 1 299.415 -0.328 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841791362 583174347 /nfs/dbraw/zinc/17/43/47/583174347.db2.gz VEMRBYRDPCIMIN-UWVGGRQHSA-N 2 1 292.330 -0.257 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841791362 583174348 /nfs/dbraw/zinc/17/43/48/583174348.db2.gz VEMRBYRDPCIMIN-UWVGGRQHSA-N 2 1 292.330 -0.257 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354573 583211796 /nfs/dbraw/zinc/21/17/96/583211796.db2.gz CZADKIGYSHBWFH-UHFFFAOYSA-N 2 1 271.361 -0.133 20 0 CBADMP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[NH2+]C[C@H]1C(F)F ZINC000843481399 583226380 /nfs/dbraw/zinc/22/63/80/583226380.db2.gz WKTUAOBNTHMODW-VIFPVBQESA-N 2 1 285.298 -0.266 20 0 CBADMP C[N@@H+](CCNC(=O)CO[C@H]1CCC[NH2+]C1)C1CC1 ZINC000844175167 583257318 /nfs/dbraw/zinc/25/73/18/583257318.db2.gz CELNMMONSMTUFM-LBPRGKRZSA-N 2 1 255.362 -0.035 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844178953 583257890 /nfs/dbraw/zinc/25/78/90/583257890.db2.gz AGZJGEMWSOVBBN-VEGXAWMVSA-N 2 1 265.357 -0.284 20 0 CBADMP CC[NH2+]CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000844181330 583258325 /nfs/dbraw/zinc/25/83/25/583258325.db2.gz COLUZHLCHLDNLP-NSHDSACASA-N 2 1 270.377 -0.701 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844181468 583258351 /nfs/dbraw/zinc/25/83/51/583258351.db2.gz RFFJPMUEUBNULD-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[NH2+]CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000844183185 583258949 /nfs/dbraw/zinc/25/89/49/583258949.db2.gz VQJQNFFWOGBJQB-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000846674302 583382123 /nfs/dbraw/zinc/38/21/23/583382123.db2.gz WMDKFOBSWDPUCV-UWVGGRQHSA-N 2 1 277.315 -0.050 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000846674302 583382125 /nfs/dbraw/zinc/38/21/25/583382125.db2.gz WMDKFOBSWDPUCV-UWVGGRQHSA-N 2 1 277.315 -0.050 20 0 CBADMP O[C@@H](CN1CCN(c2[nH]cc[nH+]2)CC1)C[NH+]1CCCC1 ZINC000846876987 583391094 /nfs/dbraw/zinc/39/10/94/583391094.db2.gz CLFCAVUOHNJFKT-CYBMUJFWSA-N 2 1 279.388 -0.012 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCCO ZINC000848981002 583463763 /nfs/dbraw/zinc/46/37/63/583463763.db2.gz SFFKZFKULAZGOO-NSHDSACASA-N 2 1 258.366 -0.406 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nncn1C ZINC000848992212 583465130 /nfs/dbraw/zinc/46/51/30/583465130.db2.gz XNPPVZNVFYBHDM-JTQLQIEISA-N 2 1 265.365 -0.087 20 0 CBADMP CN1CCC[NH+]=C1NCCN1CCC[N@@H+](C)CC1 ZINC000848994036 583465541 /nfs/dbraw/zinc/46/55/41/583465541.db2.gz JQQJBRUFRNMGLZ-UHFFFAOYSA-N 2 1 253.394 -0.095 20 0 CBADMP CC[C@@](C)(O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000848999606 583465793 /nfs/dbraw/zinc/46/57/93/583465793.db2.gz VIMHQMHKZOHVNJ-CYBMUJFWSA-N 2 1 272.393 -0.016 20 0 CBADMP Cc1nc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)no1 ZINC000849008581 583467356 /nfs/dbraw/zinc/46/73/56/583467356.db2.gz SBXGKVQYUWQYAC-UHFFFAOYSA-N 2 1 282.348 -0.286 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nnnn1C ZINC000849015759 583468045 /nfs/dbraw/zinc/46/80/45/583468045.db2.gz FFFFWEIFJBLEFL-JTQLQIEISA-N 2 1 280.380 -0.649 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(CO)COC1 ZINC000849014216 583468102 /nfs/dbraw/zinc/46/81/02/583468102.db2.gz OZTOIHAWZYYLTA-LLVKDONJSA-N 2 1 270.377 -0.406 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1cnccn1 ZINC000849015681 583468215 /nfs/dbraw/zinc/46/82/15/583468215.db2.gz JFODCNMFJQEWDM-UHFFFAOYSA-N 2 1 292.387 -0.145 20 0 CBADMP CCOCCCNC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000849019203 583468597 /nfs/dbraw/zinc/46/85/97/583468597.db2.gz RAFBKPIKHLLWLS-LBPRGKRZSA-N 2 1 258.366 -0.406 20 0 CBADMP COC[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)OC ZINC000849017283 583468657 /nfs/dbraw/zinc/46/86/57/583468657.db2.gz QTSJVIJGFJRJLL-GFCCVEGCSA-N 2 1 288.392 -0.516 20 0 CBADMP CCc1nnc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)[nH]1 ZINC000849033144 583469973 /nfs/dbraw/zinc/46/99/73/583469973.db2.gz YCXCVNCZSQGIMV-UHFFFAOYSA-N 2 1 295.391 -0.297 20 0 CBADMP [NH2+]=C(NCC[NH+]1CCC(O)CC1)N1CCOCC1 ZINC000849038111 583470587 /nfs/dbraw/zinc/47/05/87/583470587.db2.gz JNQAMQGQHWWTAR-UHFFFAOYSA-N 2 1 256.350 -0.700 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)Cn1ccnn1 ZINC000849041097 583471093 /nfs/dbraw/zinc/47/10/93/583471093.db2.gz KCOHRHVVZKFSDW-RYUDHWBXSA-N 2 1 295.391 -0.763 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N(C)OC ZINC000849043827 583471593 /nfs/dbraw/zinc/47/15/93/583471593.db2.gz ILXZQLCIMUKXFP-SNVBAGLBSA-N 2 1 271.365 -0.396 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@@H](C(N)=O)C1 ZINC000849047606 583472060 /nfs/dbraw/zinc/47/20/60/583472060.db2.gz PGPAJOWDZWIBSQ-AXFHLTTASA-N 2 1 267.377 -0.151 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000851656438 583518334 /nfs/dbraw/zinc/51/83/34/583518334.db2.gz LCTUZZQFZVWCTC-TUAOUCFPSA-N 2 1 270.377 -0.243 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)N(CC[NH3+])CCO)C1 ZINC000851676321 583519877 /nfs/dbraw/zinc/51/98/77/583519877.db2.gz HVPJIMHALAHJJT-NSHDSACASA-N 2 1 258.366 -0.567 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)C[NH2+]C)C(C)C ZINC000851691241 583522107 /nfs/dbraw/zinc/52/21/07/583522107.db2.gz GBQJCSZJDJRBEF-LLVKDONJSA-N 2 1 272.393 -0.443 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852755525 583551976 /nfs/dbraw/zinc/55/19/76/583551976.db2.gz ROGZMBVMDWRNIJ-PWSUYJOCSA-N 2 1 257.334 -0.517 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852755525 583551978 /nfs/dbraw/zinc/55/19/78/583551978.db2.gz ROGZMBVMDWRNIJ-PWSUYJOCSA-N 2 1 257.334 -0.517 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852760121 583552000 /nfs/dbraw/zinc/55/20/00/583552000.db2.gz ASUFXORXIJSTJR-CYBMUJFWSA-N 2 1 271.361 -0.127 20 0 CBADMP COC(=O)NC1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000852761110 583552214 /nfs/dbraw/zinc/55/22/14/583552214.db2.gz HJCKOTXENSOFPG-LLVKDONJSA-N 2 1 257.334 -0.205 20 0 CBADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000852798092 583553254 /nfs/dbraw/zinc/55/32/54/583553254.db2.gz GASHCVJXDJGDIC-AGIUHOORSA-N 2 1 285.388 -0.282 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852859397 583562123 /nfs/dbraw/zinc/56/21/23/583562123.db2.gz SGPCWOUUUSEYJP-WDEREUQCSA-N 2 1 268.361 -0.062 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)=NO1 ZINC000852860605 583562396 /nfs/dbraw/zinc/56/23/96/583562396.db2.gz SRGWYTPRRDLZSY-JBLDHEPKSA-N 2 1 266.345 -0.167 20 0 CBADMP C[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)C[NH+]1CCOCC1 ZINC000852863399 583563382 /nfs/dbraw/zinc/56/33/82/583563382.db2.gz NEZSMPXBUBNISC-QWRGUYRKSA-N 2 1 284.360 -0.826 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852864693 583563578 /nfs/dbraw/zinc/56/35/78/583563578.db2.gz FCQABKSCWWKLNR-UWVGGRQHSA-N 2 1 256.350 -0.064 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000852872792 583565598 /nfs/dbraw/zinc/56/55/98/583565598.db2.gz RFZAMCYSNKKKJG-KKZNHRDASA-N 2 1 266.345 -0.169 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852873307 583565636 /nfs/dbraw/zinc/56/56/36/583565636.db2.gz RIIORWAUNJRNHA-GFCCVEGCSA-N 2 1 297.403 -0.766 20 0 CBADMP O=C(C=C1CC[NH2+]CC1)N1CC[NH+](CCO)CC1 ZINC000852881017 583566858 /nfs/dbraw/zinc/56/68/58/583566858.db2.gz QPKWTZRMNMBUQU-UHFFFAOYSA-N 2 1 253.346 -0.567 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852885467 583568739 /nfs/dbraw/zinc/56/87/39/583568739.db2.gz VJGIDZQFWWNFLH-CMPLNLGQSA-N 2 1 268.361 -0.111 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852886969 583569153 /nfs/dbraw/zinc/56/91/53/583569153.db2.gz APYSGONXVDFPCM-JTQLQIEISA-N 2 1 254.334 -0.357 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000857102367 583664452 /nfs/dbraw/zinc/66/44/52/583664452.db2.gz OTGWKXLPSOWRHE-GARJFASQSA-N 2 1 258.366 -0.258 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000857102367 583664453 /nfs/dbraw/zinc/66/44/53/583664453.db2.gz OTGWKXLPSOWRHE-GARJFASQSA-N 2 1 258.366 -0.258 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000857102974 583664719 /nfs/dbraw/zinc/66/47/19/583664719.db2.gz XXIYRDNMYSTJOA-QWRGUYRKSA-N 2 1 257.382 -0.731 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000857104030 583664826 /nfs/dbraw/zinc/66/48/26/583664826.db2.gz KXQMTIKZFWTXQO-NSHDSACASA-N 2 1 258.366 -0.255 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000857107809 583665185 /nfs/dbraw/zinc/66/51/85/583665185.db2.gz ITRLSFLXYBELLB-QWRGUYRKSA-N 2 1 258.366 -0.568 20 0 CBADMP CCN(CC[NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861572683 583771091 /nfs/dbraw/zinc/77/10/91/583771091.db2.gz WOSYGROAOWBZCK-NWDGAFQWSA-N 2 1 270.377 -0.160 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861585189 583771645 /nfs/dbraw/zinc/77/16/45/583771645.db2.gz BLBSBKCEBDVONF-WDEREUQCSA-N 2 1 258.366 -0.304 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861585186 583771774 /nfs/dbraw/zinc/77/17/74/583771774.db2.gz BLBSBKCEBDVONF-GHMZBOCLSA-N 2 1 258.366 -0.304 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000861613792 583772261 /nfs/dbraw/zinc/77/22/61/583772261.db2.gz PGFZEGINMCIGMQ-DCAQKATOSA-N 2 1 258.366 -0.306 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000861613792 583772263 /nfs/dbraw/zinc/77/22/63/583772263.db2.gz PGFZEGINMCIGMQ-DCAQKATOSA-N 2 1 258.366 -0.306 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000861753590 583784237 /nfs/dbraw/zinc/78/42/37/583784237.db2.gz AURJASFGYSKNLE-WODVXLOZSA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000861753589 583784301 /nfs/dbraw/zinc/78/43/01/583784301.db2.gz AURJASFGYSKNLE-ODWCKFRGSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1CC1 ZINC000861760081 583784828 /nfs/dbraw/zinc/78/48/28/583784828.db2.gz SUKJWDABDBGMMR-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000861765248 583785351 /nfs/dbraw/zinc/78/53/51/583785351.db2.gz OZMRPULKKVNDMA-ZYHUDNBSSA-N 2 1 282.388 -0.608 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000863552125 583846376 /nfs/dbraw/zinc/84/63/76/583846376.db2.gz PCQRGCGIVBFRQJ-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000863755194 583853133 /nfs/dbraw/zinc/85/31/33/583853133.db2.gz LDSAXOCTGMIRST-ZYHUDNBSSA-N 2 1 282.388 -0.513 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C[C@H]1C ZINC000863761136 583854312 /nfs/dbraw/zinc/85/43/12/583854312.db2.gz UCSFGHGYMXOSCR-UTUOFQBUSA-N 2 1 284.404 -0.267 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C[C@H]1C ZINC000863761136 583854315 /nfs/dbraw/zinc/85/43/15/583854315.db2.gz UCSFGHGYMXOSCR-UTUOFQBUSA-N 2 1 284.404 -0.267 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000863761872 583854320 /nfs/dbraw/zinc/85/43/20/583854320.db2.gz RXMXNHLTEHRDJX-TUAOUCFPSA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000863774102 583855867 /nfs/dbraw/zinc/85/58/67/583855867.db2.gz PLUFLMGEBXFUFJ-SMDDNHRTSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000863774105 583855881 /nfs/dbraw/zinc/85/58/81/583855881.db2.gz PMIUBWUBZQYIOK-SWLSCSKDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863773784 583855959 /nfs/dbraw/zinc/85/59/59/583855959.db2.gz HTCUAVPKAKAMTG-LLVKDONJSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000863774104 583855980 /nfs/dbraw/zinc/85/59/80/583855980.db2.gz PMIUBWUBZQYIOK-IUODEOHRSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000864454517 583882437 /nfs/dbraw/zinc/88/24/37/583882437.db2.gz YXGHNCWTGUTSJT-MNOVXSKESA-N 2 1 267.377 -0.327 20 0 CBADMP c1c(CCC[NH+]2CCOCC2)nnn1C[C@H]1C[NH2+]CCO1 ZINC000864651204 583885703 /nfs/dbraw/zinc/88/57/03/583885703.db2.gz VXHUXUMUSBYOQZ-CQSZACIVSA-N 2 1 295.387 -0.469 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C=C/CN1CCOCC1 ZINC000865706474 583907708 /nfs/dbraw/zinc/90/77/08/583907708.db2.gz XAGPVBYTDBDHSO-RDFMZFSFSA-N 2 1 296.415 -0.763 20 0 CBADMP CN1CCN(C)[C@H](CNC(=O)/C=C/CN2CCOCC2)C1 ZINC000865706474 583907713 /nfs/dbraw/zinc/90/77/13/583907713.db2.gz XAGPVBYTDBDHSO-RDFMZFSFSA-N 2 1 296.415 -0.763 20 0 CBADMP Cn1nnnc1CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000866667981 583926544 /nfs/dbraw/zinc/92/65/44/583926544.db2.gz FBAHKQGFYBGCRL-TXEJJXNPSA-N 2 1 250.350 -0.316 20 0 CBADMP Cn1nnnc1CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000866667981 583926546 /nfs/dbraw/zinc/92/65/46/583926546.db2.gz FBAHKQGFYBGCRL-TXEJJXNPSA-N 2 1 250.350 -0.316 20 0 CBADMP CC1(C)C[C@@H](O)C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000866704305 583927814 /nfs/dbraw/zinc/92/78/14/583927814.db2.gz SRLBIHUBTYTNBU-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712162 583928041 /nfs/dbraw/zinc/92/80/41/583928041.db2.gz RHKAXBUTWXGDDG-QCNOEVLYSA-N 2 1 296.371 -0.670 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712162 583928042 /nfs/dbraw/zinc/92/80/42/583928042.db2.gz RHKAXBUTWXGDDG-QCNOEVLYSA-N 2 1 296.371 -0.670 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712160 583928049 /nfs/dbraw/zinc/92/80/49/583928049.db2.gz RHKAXBUTWXGDDG-KXNHARMFSA-N 2 1 296.371 -0.670 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712160 583928050 /nfs/dbraw/zinc/92/80/50/583928050.db2.gz RHKAXBUTWXGDDG-KXNHARMFSA-N 2 1 296.371 -0.670 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cn1 ZINC000866714781 583928330 /nfs/dbraw/zinc/92/83/30/583928330.db2.gz XFJSXPXMQAVWNO-XQQFMLRXSA-N 2 1 291.355 -0.213 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cn1 ZINC000866714781 583928331 /nfs/dbraw/zinc/92/83/31/583928331.db2.gz XFJSXPXMQAVWNO-XQQFMLRXSA-N 2 1 291.355 -0.213 20 0 CBADMP COC[C@@H](C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714119 583928344 /nfs/dbraw/zinc/92/83/44/583928344.db2.gz GSBMBKKKSVJEMM-KXNHARMFSA-N 2 1 269.345 -0.112 20 0 CBADMP [NH3+]CCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713996 583928362 /nfs/dbraw/zinc/92/83/62/583928362.db2.gz CQBYQASYRKXLMO-MXWKQRLJSA-N 3 1 254.334 -0.798 20 0 CBADMP [NH3+]CCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713996 583928363 /nfs/dbraw/zinc/92/83/63/583928363.db2.gz CQBYQASYRKXLMO-MXWKQRLJSA-N 3 1 254.334 -0.798 20 0 CBADMP COC[C@@H](C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714118 583928384 /nfs/dbraw/zinc/92/83/84/583928384.db2.gz GSBMBKKKSVJEMM-KKOKHZNYSA-N 2 1 269.345 -0.112 20 0 CBADMP O=C1NCCO[C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)[C@H]12 ZINC000866717464 583928562 /nfs/dbraw/zinc/92/85/62/583928562.db2.gz GFDSAXLPKUVQQE-STQMWFEESA-N 2 1 267.373 -0.035 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)[C@H]12 ZINC000866717674 583928661 /nfs/dbraw/zinc/92/86/61/583928661.db2.gz MCEXCXHNWUFQKT-XQQFMLRXSA-N 2 1 295.383 -0.513 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)[C@H]12 ZINC000866717674 583928663 /nfs/dbraw/zinc/92/86/63/583928663.db2.gz MCEXCXHNWUFQKT-XQQFMLRXSA-N 2 1 295.383 -0.513 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000866717883 583928755 /nfs/dbraw/zinc/92/87/55/583928755.db2.gz SMKTXHIDEJCCTJ-GHMZBOCLSA-N 2 1 250.350 -0.174 20 0 CBADMP Cn1nnnc1CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000866717883 583928756 /nfs/dbraw/zinc/92/87/56/583928756.db2.gz SMKTXHIDEJCCTJ-GHMZBOCLSA-N 2 1 250.350 -0.174 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000866726327 583929053 /nfs/dbraw/zinc/92/90/53/583929053.db2.gz YSVSZZAWJYBBHK-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867323963 583948409 /nfs/dbraw/zinc/94/84/09/583948409.db2.gz OGDNFVNUUVCVSI-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[NH2+]CC3)CC[C@@H]21 ZINC000868386688 583976664 /nfs/dbraw/zinc/97/66/64/583976664.db2.gz KNAUPMUFLXFSBC-OLZOCXBDSA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)C1 ZINC000868405123 583977775 /nfs/dbraw/zinc/97/77/75/583977775.db2.gz HPNSSTMHGQVKQA-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000870980633 584023873 /nfs/dbraw/zinc/02/38/73/584023873.db2.gz AAHUJWKTDVPIIU-QJPTWQEYSA-N 2 1 253.346 -0.473 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC[C@@H]21 ZINC000870981753 584024032 /nfs/dbraw/zinc/02/40/32/584024032.db2.gz JWZADYYIIRYYDU-OSFYFWSMSA-N 2 1 279.384 -0.225 20 0 CBADMP COCCN(C)C(=[NH2+])NC[C@@H]1CCC[N@H+]1CCCO ZINC000871607002 584043757 /nfs/dbraw/zinc/04/37/57/584043757.db2.gz UTERHBPJBDCWTP-LBPRGKRZSA-N 2 1 272.393 -0.064 20 0 CBADMP O=C(CC[N@H+]1CCNC(=O)CC12CCC2)N1CC[NH2+]CC1 ZINC000872158187 584048480 /nfs/dbraw/zinc/04/84/80/584048480.db2.gz ZEUIJNNWYFONRZ-UHFFFAOYSA-N 2 1 294.399 -0.447 20 0 CBADMP CC(C)(O)C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000872213637 584050388 /nfs/dbraw/zinc/05/03/88/584050388.db2.gz VFKUWCQKAPOJCA-VXGBXAGGSA-N 2 1 260.378 -0.445 20 0 CBADMP CC(C)(O)C[C@@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000872213351 584050418 /nfs/dbraw/zinc/05/04/18/584050418.db2.gz LGFGKWIOHDBRJE-CYBMUJFWSA-N 2 1 274.405 -0.055 20 0 CBADMP C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)[C@@H]1CCC[NH2+]1 ZINC000873264960 584069525 /nfs/dbraw/zinc/06/95/25/584069525.db2.gz FVUHYJYCNHIUQI-DYEKYZERSA-N 2 1 283.372 -0.656 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000874443561 584084315 /nfs/dbraw/zinc/08/43/15/584084315.db2.gz NSYXQXQDEQJLJE-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC000874451382 584084708 /nfs/dbraw/zinc/08/47/08/584084708.db2.gz HBQPPFNZMXEYPO-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876715078 584140497 /nfs/dbraw/zinc/14/04/97/584140497.db2.gz HDNQMAVLDFHCSG-UWVGGRQHSA-N 2 1 277.315 -0.383 20 0 CBADMP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000876753435 584142272 /nfs/dbraw/zinc/14/22/72/584142272.db2.gz KZGHJLRHTZNLBJ-AAVRWANBSA-N 2 1 299.390 -0.008 20 0 CBADMP COC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[NH2+]CCO1 ZINC000876754038 584142760 /nfs/dbraw/zinc/14/27/60/584142760.db2.gz LVRYDKNEOCHPHB-UKRRQHHQSA-N 2 1 297.399 -0.408 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876754152 584142828 /nfs/dbraw/zinc/14/28/28/584142828.db2.gz CBDRGYSGLBQMBL-WOPDTQHZSA-N 2 1 273.352 -0.229 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876762219 584143212 /nfs/dbraw/zinc/14/32/12/584143212.db2.gz CMGGQEHUOMCNSH-STQMWFEESA-N 2 1 270.421 -0.031 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876782520 584144172 /nfs/dbraw/zinc/14/41/72/584144172.db2.gz QLDYHLNCVRDLKT-DLOVCJGASA-N 2 1 254.378 -0.526 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876869689 584151449 /nfs/dbraw/zinc/15/14/49/584151449.db2.gz ATPSTNYTQVBIIG-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000876999287 584160571 /nfs/dbraw/zinc/16/05/71/584160571.db2.gz DBNQCDZKLUXSNP-GXFFZTMASA-N 2 1 286.351 -0.856 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)C[NH2+]CCO3)CC[C@@H]21 ZINC000877248522 584172355 /nfs/dbraw/zinc/17/23/55/584172355.db2.gz AVTJHJZVNNVOAA-MBNYWOFBSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[NH+](C)CC1 ZINC000877277174 584175474 /nfs/dbraw/zinc/17/54/74/584175474.db2.gz KQIUDPUDNHJJTO-HZSPNIEDSA-N 2 1 280.416 -0.025 20 0 CBADMP CCC[N@@H+](CCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000877963955 584188799 /nfs/dbraw/zinc/18/87/99/584188799.db2.gz LSONNMHWDZXLCB-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878052601 584191598 /nfs/dbraw/zinc/19/15/98/584191598.db2.gz NKJWXTZPJVOJCY-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000878084265 584192196 /nfs/dbraw/zinc/19/21/96/584192196.db2.gz QCSXXDOVEZFUGS-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000878084265 584192199 /nfs/dbraw/zinc/19/21/99/584192199.db2.gz QCSXXDOVEZFUGS-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H](O)CC[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878133803 584193958 /nfs/dbraw/zinc/19/39/58/584193958.db2.gz MVMLYHWGFLWLKB-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCn1cnnn1 ZINC000878288431 584198250 /nfs/dbraw/zinc/19/82/50/584198250.db2.gz WQDGSPUFQRABHM-FRRDWIJNSA-N 2 1 280.376 -0.143 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCn1cnnn1 ZINC000878288431 584198253 /nfs/dbraw/zinc/19/82/53/584198253.db2.gz WQDGSPUFQRABHM-FRRDWIJNSA-N 2 1 280.376 -0.143 20 0 CBADMP CNC(=O)CCC[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878296515 584198709 /nfs/dbraw/zinc/19/87/09/584198709.db2.gz HTBACYMAITUSQE-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C1(C(N)=O)CCCC1 ZINC000878305125 584198998 /nfs/dbraw/zinc/19/89/98/584198998.db2.gz VAOSXXKOAVZIBU-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C1(C(N)=O)CCCC1 ZINC000878305125 584198999 /nfs/dbraw/zinc/19/89/99/584198999.db2.gz VAOSXXKOAVZIBU-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)CC(C)(C)O)C1 ZINC000878866216 584219390 /nfs/dbraw/zinc/21/93/90/584219390.db2.gz RMFLTDPXFKLMOT-OCCSQVGLSA-N 2 1 274.405 -0.103 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)CC(C)(C)O)C1 ZINC000878866216 584219392 /nfs/dbraw/zinc/21/93/92/584219392.db2.gz RMFLTDPXFKLMOT-OCCSQVGLSA-N 2 1 274.405 -0.103 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)CC(C)(C)O)C1 ZINC000878866217 584219465 /nfs/dbraw/zinc/21/94/65/584219465.db2.gz RMFLTDPXFKLMOT-TZMCWYRMSA-N 2 1 274.405 -0.103 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)CC(C)(C)O)C1 ZINC000878866217 584219467 /nfs/dbraw/zinc/21/94/67/584219467.db2.gz RMFLTDPXFKLMOT-TZMCWYRMSA-N 2 1 274.405 -0.103 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579415 584242099 /nfs/dbraw/zinc/24/20/99/584242099.db2.gz LGLYXSZHWVMLQH-GHMZBOCLSA-N 2 1 250.350 -0.221 20 0 CBADMP Cn1nnnc1CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579415 584242100 /nfs/dbraw/zinc/24/21/00/584242100.db2.gz LGLYXSZHWVMLQH-GHMZBOCLSA-N 2 1 250.350 -0.221 20 0 CBADMP Cn1nnnc1CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579415 584242102 /nfs/dbraw/zinc/24/21/02/584242102.db2.gz LGLYXSZHWVMLQH-GHMZBOCLSA-N 2 1 250.350 -0.221 20 0 CBADMP Cn1nnnc1CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579415 584242103 /nfs/dbraw/zinc/24/21/03/584242103.db2.gz LGLYXSZHWVMLQH-GHMZBOCLSA-N 2 1 250.350 -0.221 20 0 CBADMP CO[C@@H]1COCC[C@H]1[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000880434824 584273634 /nfs/dbraw/zinc/27/36/34/584273634.db2.gz GWRJWUCXVJVQRM-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP OC[C@@H]1C=CC[NH+]1CCOCC[N@@H+]1CC=C[C@H]1CO ZINC000880488578 584276250 /nfs/dbraw/zinc/27/62/50/584276250.db2.gz HVLQJTRPSYEBGA-KBPBESRZSA-N 2 1 268.357 -0.532 20 0 CBADMP OC[C@H]1C=CC[NH+]1CCOCC[N@@H+]1CC=C[C@@H]1CO ZINC000880488580 584276279 /nfs/dbraw/zinc/27/62/79/584276279.db2.gz HVLQJTRPSYEBGA-ZIAGYGMSSA-N 2 1 268.357 -0.532 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000882488585 584318992 /nfs/dbraw/zinc/31/89/92/584318992.db2.gz GQIQJOCMBWGRBV-STQMWFEESA-N 2 1 266.389 -0.413 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000882488585 584318993 /nfs/dbraw/zinc/31/89/93/584318993.db2.gz GQIQJOCMBWGRBV-STQMWFEESA-N 2 1 266.389 -0.413 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000882488585 584318996 /nfs/dbraw/zinc/31/89/96/584318996.db2.gz GQIQJOCMBWGRBV-STQMWFEESA-N 2 1 266.389 -0.413 20 0 CBADMP C[C@H]1C[C@H](NCC[NH+](C)CCOCCO)CC[N@H+]1C ZINC000883349571 584340102 /nfs/dbraw/zinc/34/01/02/584340102.db2.gz GCUYZOORXKLSRS-UONOGXRCSA-N 2 1 273.421 -0.001 20 0 CBADMP C[C@H]1C[C@H](NCC[N@H+](C)CCOCCO)CC[NH+]1C ZINC000883349571 584340104 /nfs/dbraw/zinc/34/01/04/584340104.db2.gz GCUYZOORXKLSRS-UONOGXRCSA-N 2 1 273.421 -0.001 20 0 CBADMP C[C@H]1C[C@H](NCC[N@@H+](C)CCOCCO)CC[NH+]1C ZINC000883349571 584340106 /nfs/dbraw/zinc/34/01/06/584340106.db2.gz GCUYZOORXKLSRS-UONOGXRCSA-N 2 1 273.421 -0.001 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CCC2(CCOCC2)O1 ZINC000883430002 584342061 /nfs/dbraw/zinc/34/20/61/584342061.db2.gz LEBKCWGOEWTIDH-NWDGAFQWSA-N 2 1 258.362 -0.034 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CCC2(CCOCC2)O1 ZINC000883430002 584342063 /nfs/dbraw/zinc/34/20/63/584342063.db2.gz LEBKCWGOEWTIDH-NWDGAFQWSA-N 2 1 258.362 -0.034 20 0 CBADMP CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C[C@@H]2C1 ZINC000883448620 584343022 /nfs/dbraw/zinc/34/30/22/584343022.db2.gz KQSNDQGTPBZWSH-MJBXVCDLSA-N 2 1 279.384 -0.083 20 0 CBADMP CO[C@H]1COCC[C@H]1[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000883461591 584343314 /nfs/dbraw/zinc/34/33/14/584343314.db2.gz YIETWJAGTJZHGO-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884188690 584364704 /nfs/dbraw/zinc/36/47/04/584364704.db2.gz NOEXKVUZNLJWOO-GFCCVEGCSA-N 2 1 282.388 -0.606 20 0 CBADMP COCC[C@H]([NH3+])C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884183080 584364748 /nfs/dbraw/zinc/36/47/48/584364748.db2.gz BUHAHGASMWLCQU-XQQFMLRXSA-N 2 1 287.404 -0.034 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000884213161 584367604 /nfs/dbraw/zinc/36/76/04/584367604.db2.gz UXZBEYMQQDAZKQ-NEPJUHHUSA-N 2 1 255.362 -0.049 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000884224910 584368626 /nfs/dbraw/zinc/36/86/26/584368626.db2.gz CGWJTEWWZPJDGE-CYBMUJFWSA-N 2 1 287.404 -0.081 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000884233547 584368818 /nfs/dbraw/zinc/36/88/18/584368818.db2.gz RQCHDBDPSGDLLU-USWWRNFRSA-N 2 1 255.362 -0.051 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000884233545 584368978 /nfs/dbraw/zinc/36/89/78/584368978.db2.gz RQCHDBDPSGDLLU-ADEWGFFLSA-N 2 1 255.362 -0.051 20 0 CBADMP [NH3+][C@H](CC1CC1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000884252291 584370521 /nfs/dbraw/zinc/37/05/21/584370521.db2.gz GMENPGQVWXHANF-CHWSQXEVSA-N 2 1 294.399 -0.463 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000884290382 584372521 /nfs/dbraw/zinc/37/25/21/584372521.db2.gz ZKARTHPMPAVKMQ-HTQZYQBOSA-N 2 1 251.277 -0.584 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000884370058 584377382 /nfs/dbraw/zinc/37/73/82/584377382.db2.gz YKWKLNMNQZCQRG-LBPRGKRZSA-N 2 1 287.404 -0.081 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000884553562 584387758 /nfs/dbraw/zinc/38/77/58/584387758.db2.gz BAOAOWSRPHJQIT-WYUUTHIRSA-N 2 1 294.399 -0.324 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884553824 584387844 /nfs/dbraw/zinc/38/78/44/584387844.db2.gz HXYVGASWNRXWGS-XRRVDJEJSA-N 2 1 292.383 -0.842 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884553823 584387850 /nfs/dbraw/zinc/38/78/50/584387850.db2.gz HXYVGASWNRXWGS-URBCHYCLSA-N 2 1 292.383 -0.842 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000884554349 584387870 /nfs/dbraw/zinc/38/78/70/584387870.db2.gz RJJPASJRXFXNBI-GMXVVIOVSA-N 2 1 294.399 -0.323 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884601224 584389627 /nfs/dbraw/zinc/38/96/27/584389627.db2.gz FFLZMKVKVLGXRZ-SRVKXCTJSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C1=CC[N@@H+](C)CC1 ZINC000884623645 584391401 /nfs/dbraw/zinc/39/14/01/584391401.db2.gz KKISJEDITRKALB-LLVKDONJSA-N 2 1 296.415 -0.003 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884626892 584391741 /nfs/dbraw/zinc/39/17/41/584391741.db2.gz YNKLDJFLNVMEBF-YNEHKIRRSA-N 2 1 294.399 -0.321 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884631523 584392252 /nfs/dbraw/zinc/39/22/52/584392252.db2.gz NBRTZLBOTHOOSL-AVGNSLFASA-N 2 1 292.383 -0.840 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NC3CC[NH2+]CC3)CC[C@H]21 ZINC000884675677 584394685 /nfs/dbraw/zinc/39/46/85/584394685.db2.gz LOVULRMAFXZLAZ-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884675907 584394984 /nfs/dbraw/zinc/39/49/84/584394984.db2.gz UUFYRBNNSDYYGT-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CCC1(C)C ZINC000884677799 584395095 /nfs/dbraw/zinc/39/50/95/584395095.db2.gz DTZAQZIIYTZFDE-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000884687944 584396579 /nfs/dbraw/zinc/39/65/79/584396579.db2.gz NWEJECDKXDLMAR-AGIUHOORSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884699033 584398468 /nfs/dbraw/zinc/39/84/68/584398468.db2.gz WMTJQHPJCFOZBM-JTQLQIEISA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884699033 584398470 /nfs/dbraw/zinc/39/84/70/584398470.db2.gz WMTJQHPJCFOZBM-JTQLQIEISA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884697979 584398478 /nfs/dbraw/zinc/39/84/78/584398478.db2.gz HWACFZFNNQXQHB-GRYCIOLGSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000884704713 584399192 /nfs/dbraw/zinc/39/91/92/584399192.db2.gz QLVVUUIOUGBFTG-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884705320 584399643 /nfs/dbraw/zinc/39/96/43/584399643.db2.gz PFJVQKYSFISWNM-HBNTYKKESA-N 2 1 268.361 -0.998 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC[NH2+]1 ZINC000884718487 584400321 /nfs/dbraw/zinc/40/03/21/584400321.db2.gz GMJUYDQSEWKUQR-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC[NH2+]1 ZINC000884718487 584400323 /nfs/dbraw/zinc/40/03/23/584400323.db2.gz GMJUYDQSEWKUQR-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1(C)C ZINC000884724060 584400761 /nfs/dbraw/zinc/40/07/61/584400761.db2.gz HNTOXPQRQLILAW-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1(C)C ZINC000884724060 584400764 /nfs/dbraw/zinc/40/07/64/584400764.db2.gz HNTOXPQRQLILAW-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884723001 584400808 /nfs/dbraw/zinc/40/08/08/584400808.db2.gz UFAVEBHRTYVPOF-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885198664 584409979 /nfs/dbraw/zinc/40/99/79/584409979.db2.gz AARVORKTFJESJW-NSHDSACASA-N 2 1 284.404 -0.170 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=[NH2+])NCC(F)F)C1 ZINC000887352680 584466765 /nfs/dbraw/zinc/46/67/65/584466765.db2.gz KALGNTSDSHWQDT-VIFPVBQESA-N 2 1 291.346 -0.047 20 0 CBADMP [NH2+]=C(NCC[NH+]1CCC(O)CC1)NCC(F)F ZINC000887362065 584466911 /nfs/dbraw/zinc/46/69/11/584466911.db2.gz VMJLZNSQZNVXGV-UHFFFAOYSA-N 2 1 250.293 -0.178 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1 ZINC000887922216 584477114 /nfs/dbraw/zinc/47/71/14/584477114.db2.gz ZQUCEGZKOGDFIS-ZBFHGGJFSA-N 2 1 294.443 -0.110 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1 ZINC000887922216 584477116 /nfs/dbraw/zinc/47/71/16/584477116.db2.gz ZQUCEGZKOGDFIS-ZBFHGGJFSA-N 2 1 294.443 -0.110 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1 ZINC000887922216 584477118 /nfs/dbraw/zinc/47/71/18/584477118.db2.gz ZQUCEGZKOGDFIS-ZBFHGGJFSA-N 2 1 294.443 -0.110 20 0 CBADMP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC000887931925 584477728 /nfs/dbraw/zinc/47/77/28/584477728.db2.gz NIZLRXXJOXUZGY-DYEKYZERSA-N 2 1 267.373 -0.273 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC000887931925 584477730 /nfs/dbraw/zinc/47/77/30/584477730.db2.gz NIZLRXXJOXUZGY-DYEKYZERSA-N 2 1 267.373 -0.273 20 0 CBADMP C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC000887931925 584477733 /nfs/dbraw/zinc/47/77/33/584477733.db2.gz NIZLRXXJOXUZGY-DYEKYZERSA-N 2 1 267.373 -0.273 20 0 CBADMP C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC000887931925 584477735 /nfs/dbraw/zinc/47/77/35/584477735.db2.gz NIZLRXXJOXUZGY-DYEKYZERSA-N 2 1 267.373 -0.273 20 0 CBADMP CN1CCN(C(=O)CCn2ccnc2)CC[N@@H+](C)CC1 ZINC000888992226 584512352 /nfs/dbraw/zinc/51/23/52/584512352.db2.gz BELAGLFBOUDEKP-UHFFFAOYSA-N 2 1 279.388 -0.021 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)[NH+](C)C ZINC000889744159 584534651 /nfs/dbraw/zinc/53/46/51/584534651.db2.gz KPDBETSABZAPMX-JHJVBQTASA-N 2 1 269.389 -0.006 20 0 CBADMP C[NH+](C)CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889768762 584536134 /nfs/dbraw/zinc/53/61/34/584536134.db2.gz GYIULPCZENSDSU-NWDGAFQWSA-N 2 1 255.362 -0.394 20 0 CBADMP C[NH+](C)CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889768762 584536136 /nfs/dbraw/zinc/53/61/36/584536136.db2.gz GYIULPCZENSDSU-NWDGAFQWSA-N 2 1 255.362 -0.394 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000890057348 584539657 /nfs/dbraw/zinc/53/96/57/584539657.db2.gz CHHKEGCCPBPHGN-FRRDWIJNSA-N 2 1 282.388 -0.459 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000890057348 584539659 /nfs/dbraw/zinc/53/96/59/584539659.db2.gz CHHKEGCCPBPHGN-FRRDWIJNSA-N 2 1 282.388 -0.459 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000890057348 584539660 /nfs/dbraw/zinc/53/96/60/584539660.db2.gz CHHKEGCCPBPHGN-FRRDWIJNSA-N 2 1 282.388 -0.459 20 0 CBADMP C[N@H+]1C[C@H]2CN(C(=O)NCCC[NH+]3CCOCC3)C[C@H]2C1 ZINC000891429741 584581534 /nfs/dbraw/zinc/58/15/34/584581534.db2.gz VAYCBHQXCSHEGS-OKILXGFUSA-N 2 1 296.415 -0.088 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)NCCC[NH+]3CCOCC3)C[C@H]2C1 ZINC000891429741 584581537 /nfs/dbraw/zinc/58/15/37/584581537.db2.gz VAYCBHQXCSHEGS-OKILXGFUSA-N 2 1 296.415 -0.088 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891514442 584583435 /nfs/dbraw/zinc/58/34/35/584583435.db2.gz RPIGAMCKRASOHN-XJFOESAGSA-N 2 1 294.399 -0.005 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891514660 584583581 /nfs/dbraw/zinc/58/35/81/584583581.db2.gz WHBHULFDAZLOSX-CYDGBPFRSA-N 2 1 280.372 -0.395 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000891540079 584584800 /nfs/dbraw/zinc/58/48/00/584584800.db2.gz LWDUQKNHAGROLZ-STQMWFEESA-N 2 1 283.420 -0.245 20 0 CBADMP C[C@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C[NH+]1CCOCC1 ZINC000891584121 584587122 /nfs/dbraw/zinc/58/71/22/584587122.db2.gz QDSUQRLFRPMGIS-AGIUHOORSA-N 2 1 282.388 -0.290 20 0 CBADMP C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000891697448 584590054 /nfs/dbraw/zinc/59/00/54/584590054.db2.gz DCUNQEVRELDASQ-YFKTTZPYSA-N 2 1 270.377 -0.258 20 0 CBADMP C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000891697448 584590055 /nfs/dbraw/zinc/59/00/55/584590055.db2.gz DCUNQEVRELDASQ-YFKTTZPYSA-N 2 1 270.377 -0.258 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1C[N@H+](C)CCO1 ZINC000891699014 584590364 /nfs/dbraw/zinc/59/03/64/584590364.db2.gz XPKVXCFBAADSJJ-FIQHERPVSA-N 2 1 268.361 -0.539 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1C[N@@H+](C)CCO1 ZINC000891699014 584590367 /nfs/dbraw/zinc/59/03/67/584590367.db2.gz XPKVXCFBAADSJJ-FIQHERPVSA-N 2 1 268.361 -0.539 20 0 CBADMP C[C@H](NC(=O)N1CCC[C@@H]1C[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000891698975 584590556 /nfs/dbraw/zinc/59/05/56/584590556.db2.gz WFIFVZKEBPDUDR-QJPTWQEYSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@H](NC(=O)N1CCC[C@@H]1C[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000891698975 584590557 /nfs/dbraw/zinc/59/05/57/584590557.db2.gz WFIFVZKEBPDUDR-QJPTWQEYSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1C[N@H+](C)CCO1 ZINC000891699016 584590564 /nfs/dbraw/zinc/59/05/64/584590564.db2.gz XPKVXCFBAADSJJ-RHYQMDGZSA-N 2 1 268.361 -0.539 20 0 CBADMP C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1C[N@@H+](C)CCO1 ZINC000891699016 584590566 /nfs/dbraw/zinc/59/05/66/584590566.db2.gz XPKVXCFBAADSJJ-RHYQMDGZSA-N 2 1 268.361 -0.539 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)NCC[N@H+]1CCCOCC1 ZINC000891919395 584594435 /nfs/dbraw/zinc/59/44/35/584594435.db2.gz QPLAWMJEXZAIRP-GFCCVEGCSA-N 2 1 270.377 -0.159 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC[N@H+]1CCCOCC1 ZINC000891919841 584594492 /nfs/dbraw/zinc/59/44/92/584594492.db2.gz URNQFKZMTIMKNV-NWDGAFQWSA-N 2 1 270.377 -0.160 20 0 CBADMP C[NH2+]CCCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000891962613 584595803 /nfs/dbraw/zinc/59/58/03/584595803.db2.gz WPELDBFYOKWUEX-NSHDSACASA-N 2 1 272.393 -0.260 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)NCCN3CC[NH2+]CC3)CC[C@H]21 ZINC000891972847 584596608 /nfs/dbraw/zinc/59/66/08/584596608.db2.gz LUYOQQSFSHBLCS-UONOGXRCSA-N 2 1 295.431 -0.373 20 0 CBADMP C[NH2+]CCOCCNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000892279797 584611865 /nfs/dbraw/zinc/61/18/65/584611865.db2.gz DGSWPZYGWOJBKE-UHFFFAOYSA-N 2 1 272.393 -0.042 20 0 CBADMP C[NH2+]CCOCCNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000892282054 584611996 /nfs/dbraw/zinc/61/19/96/584611996.db2.gz KCEVUARZJJRBDO-STQMWFEESA-N 2 1 284.404 -0.042 20 0 CBADMP C[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)[N@@H+]1CCO ZINC000892550955 584618439 /nfs/dbraw/zinc/61/84/39/584618439.db2.gz CQNOMKPDFHWTHI-MPZDIEGVSA-N 2 1 284.404 -0.180 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000892566377 584619308 /nfs/dbraw/zinc/61/93/08/584619308.db2.gz ILSVZSKOLLAGHL-AVGNSLFASA-N 2 1 284.404 -0.130 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000892855829 584628525 /nfs/dbraw/zinc/62/85/25/584628525.db2.gz WDYUJUIDAIPRAY-LBPRGKRZSA-N 2 1 258.366 -0.520 20 0 CBADMP CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@H]1OC ZINC000892926583 584629992 /nfs/dbraw/zinc/62/99/92/584629992.db2.gz LEVZMYRDYCDYIO-UMVBOHGHSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(=O)OC[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000892927287 584630067 /nfs/dbraw/zinc/63/00/67/584630067.db2.gz RXXIVGQARIVCCG-LLVKDONJSA-N 2 1 271.361 -0.308 20 0 CBADMP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@]2(O)CC[N@H+](C)C2)C1(F)F ZINC000894469004 584658545 /nfs/dbraw/zinc/65/85/45/584658545.db2.gz HKCCTGINYBJTSP-ATZCPNFKSA-N 2 1 278.299 -0.303 20 0 CBADMP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1(F)F ZINC000894469004 584658547 /nfs/dbraw/zinc/65/85/47/584658547.db2.gz HKCCTGINYBJTSP-ATZCPNFKSA-N 2 1 278.299 -0.303 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC1CCN(CC(N)=O)CC1 ZINC000895554637 584681574 /nfs/dbraw/zinc/68/15/74/584681574.db2.gz VQYIKHFWLLVRPZ-LBPRGKRZSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)(C)N1CC[C@H]1C(=O)NC1CCN(CC(N)=O)CC1 ZINC000895554637 584681575 /nfs/dbraw/zinc/68/15/75/584681575.db2.gz VQYIKHFWLLVRPZ-LBPRGKRZSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1C[NH+](C)CCN1C ZINC000896529259 584700810 /nfs/dbraw/zinc/70/08/10/584700810.db2.gz AGLUWHSHXFXRST-AVGNSLFASA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1C[N@H+](C)CCN1C ZINC000896529259 584700812 /nfs/dbraw/zinc/70/08/12/584700812.db2.gz AGLUWHSHXFXRST-AVGNSLFASA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@H](C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000896531564 584701125 /nfs/dbraw/zinc/70/11/25/584701125.db2.gz PSWNUTWWUHKTGA-QJPTWQEYSA-N 2 1 256.394 -0.313 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CCN(C)CC[NH+](C)CC2)CC[N@H+]1C ZINC000896617785 584704034 /nfs/dbraw/zinc/70/40/34/584704034.db2.gz KADYEDBESCXMMB-ZIAGYGMSSA-N 2 1 297.447 -0.032 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CCN(C)CC[N@H+](C)CC2)CC[NH+]1C ZINC000896617785 584704035 /nfs/dbraw/zinc/70/40/35/584704035.db2.gz KADYEDBESCXMMB-ZIAGYGMSSA-N 2 1 297.447 -0.032 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CCN(C)CC[N@@H+](C)CC2)CC[NH+]1C ZINC000896617785 584704036 /nfs/dbraw/zinc/70/40/36/584704036.db2.gz KADYEDBESCXMMB-ZIAGYGMSSA-N 2 1 297.447 -0.032 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897415590 584715506 /nfs/dbraw/zinc/71/55/06/584715506.db2.gz BNPUYXXZTQZKMU-UHFFFAOYSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000897446649 584716680 /nfs/dbraw/zinc/71/66/80/584716680.db2.gz XKQWRCQWCSQIFF-OCCSQVGLSA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000897446649 584716682 /nfs/dbraw/zinc/71/66/82/584716682.db2.gz XKQWRCQWCSQIFF-OCCSQVGLSA-N 2 1 284.404 -0.306 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000897446649 584716683 /nfs/dbraw/zinc/71/66/83/584716683.db2.gz XKQWRCQWCSQIFF-OCCSQVGLSA-N 2 1 284.404 -0.306 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCC[NH+]1CC[C@H](C)C1 ZINC000897448561 584716797 /nfs/dbraw/zinc/71/67/97/584716797.db2.gz XFKYIGVQPRCMMJ-ZDUSSCGKSA-N 2 1 286.420 -0.058 20 0 CBADMP CC[NH+](CCO)CCNC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000897448561 584716799 /nfs/dbraw/zinc/71/67/99/584716799.db2.gz XFKYIGVQPRCMMJ-ZDUSSCGKSA-N 2 1 286.420 -0.058 20 0 CBADMP CC[NH+](CCO)CCNC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000897448561 584716800 /nfs/dbraw/zinc/71/68/00/584716800.db2.gz XFKYIGVQPRCMMJ-ZDUSSCGKSA-N 2 1 286.420 -0.058 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000897495090 584718194 /nfs/dbraw/zinc/71/81/94/584718194.db2.gz SMNDTNYIUGEBTO-GXTWGEPZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1CCC[NH+]1CCNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000897495090 584718196 /nfs/dbraw/zinc/71/81/96/584718196.db2.gz SMNDTNYIUGEBTO-GXTWGEPZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1CCC[NH+]1CCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000897495090 584718198 /nfs/dbraw/zinc/71/81/98/584718198.db2.gz SMNDTNYIUGEBTO-GXTWGEPZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000897825806 584725470 /nfs/dbraw/zinc/72/54/70/584725470.db2.gz PESHUDIQNVFFTK-UBHSHLNASA-N 2 1 279.384 -0.130 20 0 CBADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000897825807 584725504 /nfs/dbraw/zinc/72/55/04/584725504.db2.gz PESHUDIQNVFFTK-YUTCNCBUSA-N 2 1 279.384 -0.130 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)C[C@@H]2C1 ZINC000898166383 584732404 /nfs/dbraw/zinc/73/24/04/584732404.db2.gz SCCPKPXQSRTYGQ-ILXRZTDVSA-N 2 1 292.427 -0.214 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C[C@@H]2C1 ZINC000898166383 584732405 /nfs/dbraw/zinc/73/24/05/584732405.db2.gz SCCPKPXQSRTYGQ-ILXRZTDVSA-N 2 1 292.427 -0.214 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)C[C@@H]2C1 ZINC000898166383 584732406 /nfs/dbraw/zinc/73/24/06/584732406.db2.gz SCCPKPXQSRTYGQ-ILXRZTDVSA-N 2 1 292.427 -0.214 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC000899064519 584749871 /nfs/dbraw/zinc/74/98/71/584749871.db2.gz YKXPPFNVYIMRFZ-ZDUSSCGKSA-N 2 1 297.399 -0.107 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC000899064519 584749872 /nfs/dbraw/zinc/74/98/72/584749872.db2.gz YKXPPFNVYIMRFZ-ZDUSSCGKSA-N 2 1 297.399 -0.107 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC000899064519 584749874 /nfs/dbraw/zinc/74/98/74/584749874.db2.gz YKXPPFNVYIMRFZ-ZDUSSCGKSA-N 2 1 297.399 -0.107 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC000899064519 584749875 /nfs/dbraw/zinc/74/98/75/584749875.db2.gz YKXPPFNVYIMRFZ-ZDUSSCGKSA-N 2 1 297.399 -0.107 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899224870 584753777 /nfs/dbraw/zinc/75/37/77/584753777.db2.gz VLZQPZMPWMFBBN-STQMWFEESA-N 2 1 267.373 -0.083 20 0 CBADMP CN(C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C1CC[NH+](C)CC1 ZINC000899909162 584784066 /nfs/dbraw/zinc/78/40/66/584784066.db2.gz LUQMKUYFDMYPQN-JSGCOSHPSA-N 2 1 269.389 -0.006 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000900192640 584794995 /nfs/dbraw/zinc/79/49/95/584794995.db2.gz UGWLLNJHJKQGPT-OCCSQVGLSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900192640 584794997 /nfs/dbraw/zinc/79/49/97/584794997.db2.gz UGWLLNJHJKQGPT-OCCSQVGLSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900192640 584794999 /nfs/dbraw/zinc/79/49/99/584794999.db2.gz UGWLLNJHJKQGPT-OCCSQVGLSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C)C1CC1 ZINC000900367883 584800757 /nfs/dbraw/zinc/80/07/57/584800757.db2.gz XPIFSPCPLQDFSU-WCQYABFASA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+](CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)C1CC1 ZINC000900367883 584800758 /nfs/dbraw/zinc/80/07/58/584800758.db2.gz XPIFSPCPLQDFSU-WCQYABFASA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+](CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)C1CC1 ZINC000900367883 584800760 /nfs/dbraw/zinc/80/07/60/584800760.db2.gz XPIFSPCPLQDFSU-WCQYABFASA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+](C)CCn1ccc(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)n1 ZINC000900443482 584804647 /nfs/dbraw/zinc/80/46/47/584804647.db2.gz UTHWMSWTGNVWSC-SMDDNHRTSA-N 2 1 295.387 -0.162 20 0 CBADMP C[NH+](C)CCn1ccc(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)n1 ZINC000900443482 584804650 /nfs/dbraw/zinc/80/46/50/584804650.db2.gz UTHWMSWTGNVWSC-SMDDNHRTSA-N 2 1 295.387 -0.162 20 0 CBADMP C[NH+](C)CCn1cc(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)cn1 ZINC000900473035 584806357 /nfs/dbraw/zinc/80/63/57/584806357.db2.gz BVDAVSGGWRZVED-JSGCOSHPSA-N 2 1 295.387 -0.162 20 0 CBADMP C[NH+](C)CCn1cc(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)cn1 ZINC000900473035 584806359 /nfs/dbraw/zinc/80/63/59/584806359.db2.gz BVDAVSGGWRZVED-JSGCOSHPSA-N 2 1 295.387 -0.162 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900604272 584815497 /nfs/dbraw/zinc/81/54/97/584815497.db2.gz SECVVXRBQOTQEO-GFCCVEGCSA-N 2 1 267.373 -0.393 20 0 CBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900612389 584816275 /nfs/dbraw/zinc/81/62/75/584816275.db2.gz BVUZFNHBNPWPDK-VNHYZAJKSA-N 2 1 298.431 -0.806 20 0 CBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900612380 584816296 /nfs/dbraw/zinc/81/62/96/584816296.db2.gz BVUZFNHBNPWPDK-IPYPFGDCSA-N 2 1 298.431 -0.806 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000900630655 584817832 /nfs/dbraw/zinc/81/78/32/584817832.db2.gz OTMWKBJWFGTRDD-DYEKYZERSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000900630655 584817834 /nfs/dbraw/zinc/81/78/34/584817834.db2.gz OTMWKBJWFGTRDD-DYEKYZERSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000900630655 584817836 /nfs/dbraw/zinc/81/78/36/584817836.db2.gz OTMWKBJWFGTRDD-DYEKYZERSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+](C)C1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900631622 584817925 /nfs/dbraw/zinc/81/79/25/584817925.db2.gz AXCUOVKUMAGYKR-GXTWGEPZSA-N 2 1 269.389 -0.006 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000901134238 584850937 /nfs/dbraw/zinc/85/09/37/584850937.db2.gz JYODDGWPFAQSSV-IPYPFGDCSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000901134241 584851023 /nfs/dbraw/zinc/85/10/23/584851023.db2.gz JYODDGWPFAQSSV-VNHYZAJKSA-N 2 1 299.415 -0.596 20 0 CBADMP CN1CCOC[C@]1(CO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903282707 584890007 /nfs/dbraw/zinc/89/00/07/584890007.db2.gz UTPUGKZZARXYMY-RBSFLKMASA-N 2 1 283.416 -0.104 20 0 CBADMP CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903436741 584890256 /nfs/dbraw/zinc/89/02/56/584890256.db2.gz BBSSTJPNNAMPBT-GRYCIOLGSA-N 2 1 275.418 -0.145 20 0 CBADMP CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903436741 584890257 /nfs/dbraw/zinc/89/02/57/584890257.db2.gz BBSSTJPNNAMPBT-GRYCIOLGSA-N 2 1 275.418 -0.145 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](CCO)CCN1CCOCC1 ZINC000903442430 584890457 /nfs/dbraw/zinc/89/04/57/584890457.db2.gz PXPARDCVODSYHF-KGLIPLIRSA-N 2 1 271.405 -0.532 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC000903493535 584891867 /nfs/dbraw/zinc/89/18/67/584891867.db2.gz UMZYLUQIQDKBEV-WJZNIJOASA-N 2 1 267.329 -0.913 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499235 584892022 /nfs/dbraw/zinc/89/20/22/584892022.db2.gz KXGBZRHAPZDIDU-GHMZBOCLSA-N 2 1 271.361 -0.418 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000903713613 584895464 /nfs/dbraw/zinc/89/54/64/584895464.db2.gz XQBZHSSLFPQYMJ-MQYQWHSLSA-N 2 1 297.399 -0.423 20 0 CBADMP CNC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903756182 584897682 /nfs/dbraw/zinc/89/76/82/584897682.db2.gz PLBGIZHKVMZGCO-MBNYWOFBSA-N 2 1 283.372 -0.798 20 0 CBADMP CNC(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903756182 584897683 /nfs/dbraw/zinc/89/76/83/584897683.db2.gz PLBGIZHKVMZGCO-MBNYWOFBSA-N 2 1 283.372 -0.798 20 0 CBADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903765478 584897945 /nfs/dbraw/zinc/89/79/45/584897945.db2.gz IFPDIXXKTQIPCX-FPMFFAJLSA-N 2 1 267.373 -0.048 20 0 CBADMP O[C@@H]1C[C@H]2CN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC[N@H+]2C1 ZINC000903769147 584898444 /nfs/dbraw/zinc/89/84/44/584898444.db2.gz YRCDLDJUKWCDCM-YJNKXOJESA-N 2 1 281.400 -0.494 20 0 CBADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)C1 ZINC000903790046 584899909 /nfs/dbraw/zinc/89/99/09/584899909.db2.gz PNYYOFWESWIOMF-WFASDCNBSA-N 2 1 294.399 -0.510 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C[C@H](C)[N@H+]1C ZINC000903792519 584900090 /nfs/dbraw/zinc/90/00/90/584900090.db2.gz MLSYTJHKGUNOJX-GRYCIOLGSA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C[C@H](C)[N@@H+]1C ZINC000903792519 584900091 /nfs/dbraw/zinc/90/00/91/584900091.db2.gz MLSYTJHKGUNOJX-GRYCIOLGSA-N 2 1 296.415 -0.267 20 0 CBADMP c1nnnn1CC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818244 584900750 /nfs/dbraw/zinc/90/07/50/584900750.db2.gz CXVAPWLJVDMTBL-UHFFFAOYSA-N 2 1 266.349 -0.482 20 0 CBADMP c1nnnn1CC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818244 584900751 /nfs/dbraw/zinc/90/07/51/584900751.db2.gz CXVAPWLJVDMTBL-UHFFFAOYSA-N 2 1 266.349 -0.482 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1CS(N)(=O)=O ZINC000903826911 584900934 /nfs/dbraw/zinc/90/09/34/584900934.db2.gz NPNIJNOXVHYKLA-WOPDTQHZSA-N 2 1 275.418 -0.158 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)C[C@H]1CS(N)(=O)=O ZINC000903825919 584901041 /nfs/dbraw/zinc/90/10/41/584901041.db2.gz FFDSURWULICRMC-VWYCJHECSA-N 2 1 261.391 -0.548 20 0 CBADMP CC[N@@H+](CCC(=O)NC)CCC(=O)N1CC[NH2+]CC1 ZINC000903827723 584901307 /nfs/dbraw/zinc/90/13/07/584901307.db2.gz VICFQHIBTYHMAB-UHFFFAOYSA-N 2 1 270.377 -0.734 20 0 CBADMP COCCOC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903864182 584902539 /nfs/dbraw/zinc/90/25/39/584902539.db2.gz SVWNGCCOGYMJNM-JHJVBQTASA-N 2 1 258.362 -0.177 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903864182 584902541 /nfs/dbraw/zinc/90/25/41/584902541.db2.gz SVWNGCCOGYMJNM-JHJVBQTASA-N 2 1 258.362 -0.177 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903864472 584902546 /nfs/dbraw/zinc/90/25/46/584902546.db2.gz VKRJHPDTPSARGK-HZSPNIEDSA-N 2 1 271.405 -0.261 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@]12CC[NH2+]C2 ZINC000903870611 584902855 /nfs/dbraw/zinc/90/28/55/584902855.db2.gz ODBLBPIQHSUAIZ-UONOGXRCSA-N 2 1 271.405 -0.247 20 0 CBADMP COC(=O)C[C@H]1C(=O)NCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873828 584902915 /nfs/dbraw/zinc/90/29/15/584902915.db2.gz YXISRPRVQXIXQI-WVMKXHBISA-N 2 1 295.383 -0.120 20 0 CBADMP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873828 584902916 /nfs/dbraw/zinc/90/29/16/584902916.db2.gz YXISRPRVQXIXQI-WVMKXHBISA-N 2 1 295.383 -0.120 20 0 CBADMP C[C@H]1C(=O)NCCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903875668 584903261 /nfs/dbraw/zinc/90/32/61/584903261.db2.gz SQSVCLNPOOCPGL-SGMGOOAPSA-N 2 1 267.373 -0.035 20 0 CBADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@H](O)C2)cnn1C ZINC000903884290 584903871 /nfs/dbraw/zinc/90/38/71/584903871.db2.gz WUZKJFMAAFORPB-AAEUAGOBSA-N 2 1 252.362 -0.087 20 0 CBADMP NC(=O)[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903889969 584904004 /nfs/dbraw/zinc/90/40/04/584904004.db2.gz WTKZMBYLYRLGPZ-FGNRJIRKSA-N 2 1 253.346 -0.297 20 0 CBADMP C[C@]1(C(N)=O)CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903909860 584904384 /nfs/dbraw/zinc/90/43/84/584904384.db2.gz HHHSQZBOSCEBGM-RISCZKNCSA-N 2 1 292.387 -0.100 20 0 CBADMP C[C@@]1(C(N)=O)CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903909861 584904419 /nfs/dbraw/zinc/90/44/19/584904419.db2.gz HHHSQZBOSCEBGM-SMDDNHRTSA-N 2 1 292.387 -0.100 20 0 CBADMP [NH3+][C@@H](CC(F)F)CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000903905489 584904440 /nfs/dbraw/zinc/90/44/40/584904440.db2.gz HIKMQHKDTZAEHQ-WDEREUQCSA-N 2 1 290.358 -0.135 20 0 CBADMP [NH3+]CC(F)(F)CNCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903918537 584904810 /nfs/dbraw/zinc/90/48/10/584904810.db2.gz BAFQMUNUZYYPEG-VIFPVBQESA-N 2 1 274.319 -0.114 20 0 CBADMP CC[N@H+](CCC(N)=O)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903987825 584905539 /nfs/dbraw/zinc/90/55/39/584905539.db2.gz KPSRSTPYKDNQCF-NSHDSACASA-N 2 1 280.376 -0.100 20 0 CBADMP CC[N@@H+](CCC(N)=O)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903987825 584905540 /nfs/dbraw/zinc/90/55/40/584905540.db2.gz KPSRSTPYKDNQCF-NSHDSACASA-N 2 1 280.376 -0.100 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC1(C[NH3+])CC1)C2 ZINC000903976788 584905561 /nfs/dbraw/zinc/90/55/61/584905561.db2.gz APKFSEFJQDAAOA-WDMOLILDSA-N 3 1 267.373 -0.062 20 0 CBADMP CC(C)[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000968300383 613971781 /nfs/dbraw/zinc/97/17/81/613971781.db2.gz GDZIYWKOCGVBNN-VXGBXAGGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000968300383 613971782 /nfs/dbraw/zinc/97/17/82/613971782.db2.gz GDZIYWKOCGVBNN-VXGBXAGGSA-N 2 1 255.362 -0.084 20 0 CBADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](C[C@@H](C)O)C1 ZINC000957385969 614626264 /nfs/dbraw/zinc/62/62/64/614626264.db2.gz RSCGPHAKTOLNNT-VXGBXAGGSA-N 2 1 269.389 -0.148 20 0 CBADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](C[C@@H](C)O)C1 ZINC000957385969 614626267 /nfs/dbraw/zinc/62/62/67/614626267.db2.gz RSCGPHAKTOLNNT-VXGBXAGGSA-N 2 1 269.389 -0.148 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000969675232 614649447 /nfs/dbraw/zinc/64/94/47/614649447.db2.gz RNZMBCSBMSWAPP-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971266896 614912844 /nfs/dbraw/zinc/91/28/44/614912844.db2.gz KJMJUXZMNJFUQU-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971266896 614912847 /nfs/dbraw/zinc/91/28/47/614912847.db2.gz KJMJUXZMNJFUQU-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971266896 614912849 /nfs/dbraw/zinc/91/28/49/614912849.db2.gz KJMJUXZMNJFUQU-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971266896 614912852 /nfs/dbraw/zinc/91/28/52/614912852.db2.gz KJMJUXZMNJFUQU-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000941344440 615087676 /nfs/dbraw/zinc/08/76/76/615087676.db2.gz INEDDSFCPZKLCT-CQSZACIVSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2C[NH+](CCCO)C2)C1 ZINC000970904314 615171397 /nfs/dbraw/zinc/17/13/97/615171397.db2.gz OJWJSCVKHWHRAN-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2C[NH+](CCCO)C2)C1 ZINC000970904314 615171398 /nfs/dbraw/zinc/17/13/98/615171398.db2.gz OJWJSCVKHWHRAN-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C2C[NH+](CCO)C2)C1 ZINC000970905164 615183818 /nfs/dbraw/zinc/18/38/18/615183818.db2.gz ULZZWKHYJRWDCJ-AAEUAGOBSA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C2C[NH+](CCO)C2)C1 ZINC000970905164 615183820 /nfs/dbraw/zinc/18/38/20/615183820.db2.gz ULZZWKHYJRWDCJ-AAEUAGOBSA-N 2 1 285.388 -0.864 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1)[NH+](C)C ZINC000972355795 615374142 /nfs/dbraw/zinc/37/41/42/615374142.db2.gz ZTVNOVHTVAJSBS-NEPJUHHUSA-N 2 1 257.378 -0.148 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1)[NH+](C)C ZINC000969986339 615374368 /nfs/dbraw/zinc/37/43/68/615374368.db2.gz XVRMBJGCDGMJGK-YPMHNXCESA-N 2 1 294.403 -0.154 20 0 CBADMP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1)[NH+](C)C ZINC000969074497 615602805 /nfs/dbraw/zinc/60/28/05/615602805.db2.gz GSRNSVQKXTZIKD-DGCLKSJQSA-N 2 1 294.403 -0.154 20 0 CBADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000948245760 615881752 /nfs/dbraw/zinc/88/17/52/615881752.db2.gz SMCDYEREIZTZAE-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC000948245760 615881753 /nfs/dbraw/zinc/88/17/53/615881753.db2.gz SMCDYEREIZTZAE-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC000948245760 615881755 /nfs/dbraw/zinc/88/17/55/615881755.db2.gz SMCDYEREIZTZAE-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000961614776 615956199 /nfs/dbraw/zinc/95/61/99/615956199.db2.gz IADUMUMBBXIZBV-ITGUQSILSA-N 2 1 293.367 -0.007 20 0 CBADMP CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962551779 615965218 /nfs/dbraw/zinc/96/52/18/615965218.db2.gz BLPQFJBMJBVJCN-JYAVWHMHSA-N 2 1 294.399 -0.783 20 0 CBADMP CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958414773 615965873 /nfs/dbraw/zinc/96/58/73/615965873.db2.gz KHPKXCNIDMGLBT-KZVDOYCCSA-N 2 1 294.399 -0.785 20 0 CBADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000958414773 615965876 /nfs/dbraw/zinc/96/58/76/615965876.db2.gz KHPKXCNIDMGLBT-KZVDOYCCSA-N 2 1 294.399 -0.785 20 0 CBADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC000958414773 615965878 /nfs/dbraw/zinc/96/58/78/615965878.db2.gz KHPKXCNIDMGLBT-KZVDOYCCSA-N 2 1 294.399 -0.785 20 0 CBADMP C[NH+](CCO)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971689206 616044756 /nfs/dbraw/zinc/04/47/56/616044756.db2.gz GBIORISIEMHSIQ-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1)C1CCC1 ZINC000971689206 616044757 /nfs/dbraw/zinc/04/47/57/616044757.db2.gz GBIORISIEMHSIQ-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1)C1CCC1 ZINC000971689206 616044758 /nfs/dbraw/zinc/04/47/58/616044758.db2.gz GBIORISIEMHSIQ-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971687983 616044881 /nfs/dbraw/zinc/04/48/81/616044881.db2.gz RUXJHSONFOWTTR-GFCCVEGCSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971687983 616044882 /nfs/dbraw/zinc/04/48/82/616044882.db2.gz RUXJHSONFOWTTR-GFCCVEGCSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1)C1CCC1 ZINC000971687983 616044883 /nfs/dbraw/zinc/04/48/83/616044883.db2.gz RUXJHSONFOWTTR-GFCCVEGCSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1)C1CCC1 ZINC000971687983 616044884 /nfs/dbraw/zinc/04/48/84/616044884.db2.gz RUXJHSONFOWTTR-GFCCVEGCSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC000968924803 616045160 /nfs/dbraw/zinc/04/51/60/616045160.db2.gz XUPLFKRORJXKMC-SNVBAGLBSA-N 2 1 268.361 -0.854 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971540081 616113062 /nfs/dbraw/zinc/11/30/62/616113062.db2.gz CEBNOKZVSVJSHI-UONOGXRCSA-N 2 1 281.400 -0.147 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000969100241 616179706 /nfs/dbraw/zinc/17/97/06/616179706.db2.gz ZDMSREYFUUCWSS-GHMZBOCLSA-N 2 1 268.361 -0.854 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000960576238 616184486 /nfs/dbraw/zinc/18/44/86/616184486.db2.gz GUXMYKUQUNDVIZ-RFQIPJPRSA-N 2 1 281.400 -0.101 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000977926404 616193627 /nfs/dbraw/zinc/19/36/27/616193627.db2.gz AMWGNDAWAVDROR-FVCCEPFGSA-N 2 1 267.373 -0.633 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000977926404 616193628 /nfs/dbraw/zinc/19/36/28/616193628.db2.gz AMWGNDAWAVDROR-FVCCEPFGSA-N 2 1 267.373 -0.633 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000977926404 616193629 /nfs/dbraw/zinc/19/36/29/616193629.db2.gz AMWGNDAWAVDROR-FVCCEPFGSA-N 2 1 267.373 -0.633 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000983326455 616194285 /nfs/dbraw/zinc/19/42/85/616194285.db2.gz PTMYRLWEQOHSPO-FDYHWXHSSA-N 2 1 294.399 -0.547 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000958413936 616195034 /nfs/dbraw/zinc/19/50/34/616195034.db2.gz BBMPSYMVBDVXOE-KXNHARMFSA-N 2 1 253.346 -0.881 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000958413936 616195035 /nfs/dbraw/zinc/19/50/35/616195035.db2.gz BBMPSYMVBDVXOE-KXNHARMFSA-N 2 1 253.346 -0.881 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000958413936 616195036 /nfs/dbraw/zinc/19/50/36/616195036.db2.gz BBMPSYMVBDVXOE-KXNHARMFSA-N 2 1 253.346 -0.881 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCO)CC1 ZINC000980839317 616209263 /nfs/dbraw/zinc/20/92/63/616209263.db2.gz DLKQVGRHKKNVFC-LBPRGKRZSA-N 2 1 255.362 -0.393 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCO)CC1 ZINC000980839317 616209264 /nfs/dbraw/zinc/20/92/64/616209264.db2.gz DLKQVGRHKKNVFC-LBPRGKRZSA-N 2 1 255.362 -0.393 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCO)CC1 ZINC000980839317 616209265 /nfs/dbraw/zinc/20/92/65/616209265.db2.gz DLKQVGRHKKNVFC-LBPRGKRZSA-N 2 1 255.362 -0.393 20 0 CBADMP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000967924029 616209851 /nfs/dbraw/zinc/20/98/51/616209851.db2.gz FBOSQGLOJDKJGI-YPMHNXCESA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC000967924029 616209852 /nfs/dbraw/zinc/20/98/52/616209852.db2.gz FBOSQGLOJDKJGI-YPMHNXCESA-N 2 1 292.387 -0.400 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[NH+](CCO)CCO2 ZINC000972295182 616210571 /nfs/dbraw/zinc/21/05/71/616210571.db2.gz RHUWMIKAUYJIPW-ZFWWWQNUSA-N 2 1 297.399 -0.624 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[NH+](CCO)CCO2 ZINC000972295182 616210572 /nfs/dbraw/zinc/21/05/72/616210572.db2.gz RHUWMIKAUYJIPW-ZFWWWQNUSA-N 2 1 297.399 -0.624 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972295182 616210573 /nfs/dbraw/zinc/21/05/73/616210573.db2.gz RHUWMIKAUYJIPW-ZFWWWQNUSA-N 2 1 297.399 -0.624 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972295182 616210574 /nfs/dbraw/zinc/21/05/74/616210574.db2.gz RHUWMIKAUYJIPW-ZFWWWQNUSA-N 2 1 297.399 -0.624 20 0 CBADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCC([NH2+]CCO)CC1 ZINC000963180991 616250912 /nfs/dbraw/zinc/25/09/12/616250912.db2.gz YPHRZWATLZXPPS-JXQTWKCFSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCC([NH2+]CCO)CC1 ZINC000963180991 616250913 /nfs/dbraw/zinc/25/09/13/616250913.db2.gz YPHRZWATLZXPPS-JXQTWKCFSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CCO)C1 ZINC000968796086 616252556 /nfs/dbraw/zinc/25/25/56/616252556.db2.gz FHABISJNPIFYBE-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CCO)C1 ZINC000968796086 616252557 /nfs/dbraw/zinc/25/25/57/616252557.db2.gz FHABISJNPIFYBE-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CCO)C1 ZINC000968796086 616252558 /nfs/dbraw/zinc/25/25/58/616252558.db2.gz FHABISJNPIFYBE-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2CCO)C1 ZINC000968796086 616252559 /nfs/dbraw/zinc/25/25/59/616252559.db2.gz FHABISJNPIFYBE-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC3CC3)C2)C1 ZINC000968303540 616258203 /nfs/dbraw/zinc/25/82/03/616258203.db2.gz STAVHZSLVZCTFE-OLZOCXBDSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC3CC3)C2)C1 ZINC000968303540 616258204 /nfs/dbraw/zinc/25/82/04/616258204.db2.gz STAVHZSLVZCTFE-OLZOCXBDSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC000977958358 616259478 /nfs/dbraw/zinc/25/94/78/616259478.db2.gz SZRTUTRNZURRHS-FQUUOJAGSA-N 2 1 299.390 -0.029 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC000977958358 616259479 /nfs/dbraw/zinc/25/94/79/616259479.db2.gz SZRTUTRNZURRHS-FQUUOJAGSA-N 2 1 299.390 -0.029 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC000977958358 616259480 /nfs/dbraw/zinc/25/94/80/616259480.db2.gz SZRTUTRNZURRHS-FQUUOJAGSA-N 2 1 299.390 -0.029 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC000977958358 616259481 /nfs/dbraw/zinc/25/94/81/616259481.db2.gz SZRTUTRNZURRHS-FQUUOJAGSA-N 2 1 299.390 -0.029 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC000958474287 616260087 /nfs/dbraw/zinc/26/00/87/616260087.db2.gz JADWWAMMPURPJN-RFQIPJPRSA-N 2 1 279.384 -0.227 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC000958474287 616260088 /nfs/dbraw/zinc/26/00/88/616260088.db2.gz JADWWAMMPURPJN-RFQIPJPRSA-N 2 1 279.384 -0.227 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC000958474287 616260089 /nfs/dbraw/zinc/26/00/89/616260089.db2.gz JADWWAMMPURPJN-RFQIPJPRSA-N 2 1 279.384 -0.227 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC000958474287 616260090 /nfs/dbraw/zinc/26/00/90/616260090.db2.gz JADWWAMMPURPJN-RFQIPJPRSA-N 2 1 279.384 -0.227 20 0 CBADMP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000970712588 616265123 /nfs/dbraw/zinc/26/51/23/616265123.db2.gz QPWSYAMPFXPZAC-VXGBXAGGSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000970712588 616265124 /nfs/dbraw/zinc/26/51/24/616265124.db2.gz QPWSYAMPFXPZAC-VXGBXAGGSA-N 2 1 292.387 -0.543 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000972730777 616268956 /nfs/dbraw/zinc/26/89/56/616268956.db2.gz AMSAYYAFGQLWIK-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000972730777 616268957 /nfs/dbraw/zinc/26/89/57/616268957.db2.gz AMSAYYAFGQLWIK-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972730777 616268958 /nfs/dbraw/zinc/26/89/58/616268958.db2.gz AMSAYYAFGQLWIK-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972730777 616268959 /nfs/dbraw/zinc/26/89/59/616268959.db2.gz AMSAYYAFGQLWIK-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC000970715306 616363084 /nfs/dbraw/zinc/36/30/84/616363084.db2.gz SJZHXXBQODSPJD-QWHCGFSZSA-N 2 1 292.387 -0.580 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@]3(C2)CN(CCO)CCO3)C1 ZINC000972672885 616364117 /nfs/dbraw/zinc/36/41/17/616364117.db2.gz BPYTVVRRNFQRFE-DZGCQCFKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@]3(C2)C[NH+](CCO)CCO3)C1 ZINC000972672885 616364122 /nfs/dbraw/zinc/36/41/22/616364122.db2.gz BPYTVVRRNFQRFE-DZGCQCFKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@]3(C2)C[NH+](CCO)CCO3)C1 ZINC000972672885 616364126 /nfs/dbraw/zinc/36/41/26/616364126.db2.gz BPYTVVRRNFQRFE-DZGCQCFKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)C1 ZINC000972672885 616364131 /nfs/dbraw/zinc/36/41/31/616364131.db2.gz BPYTVVRRNFQRFE-DZGCQCFKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)C1 ZINC000972672885 616364134 /nfs/dbraw/zinc/36/41/34/616364134.db2.gz BPYTVVRRNFQRFE-DZGCQCFKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000979086401 616372931 /nfs/dbraw/zinc/37/29/31/616372931.db2.gz OKLYZMOVWLSKKY-XDQVBPFNSA-N 2 1 281.400 -0.386 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC000979086401 616372934 /nfs/dbraw/zinc/37/29/34/616372934.db2.gz OKLYZMOVWLSKKY-XDQVBPFNSA-N 2 1 281.400 -0.386 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC000979086401 616372937 /nfs/dbraw/zinc/37/29/37/616372937.db2.gz OKLYZMOVWLSKKY-XDQVBPFNSA-N 2 1 281.400 -0.386 20 0 CBADMP COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374807 616458604 /nfs/dbraw/zinc/45/86/04/616458604.db2.gz OOZNJJCYWFFXOP-KGLIPLIRSA-N 2 1 299.415 -0.617 20 0 CBADMP COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979047144 616461941 /nfs/dbraw/zinc/46/19/41/616461941.db2.gz FCHKCKJXTPURMP-SYQHCUMBSA-N 2 1 281.400 -0.122 20 0 CBADMP COCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979047144 616461944 /nfs/dbraw/zinc/46/19/44/616461944.db2.gz FCHKCKJXTPURMP-SYQHCUMBSA-N 2 1 281.400 -0.122 20 0 CBADMP COCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979047144 616461948 /nfs/dbraw/zinc/46/19/48/616461948.db2.gz FCHKCKJXTPURMP-SYQHCUMBSA-N 2 1 281.400 -0.122 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948039942 616613706 /nfs/dbraw/zinc/61/37/06/616613706.db2.gz LQVAJVGXWXROQT-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000311025521 656145200 /nfs/dbraw/zinc/14/52/00/656145200.db2.gz MLGDABFEZULGIQ-XQQFMLRXSA-N 2 1 259.394 -0.405 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000311025521 656145203 /nfs/dbraw/zinc/14/52/03/656145203.db2.gz MLGDABFEZULGIQ-XQQFMLRXSA-N 3 1 259.394 -0.405 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000311025521 656145205 /nfs/dbraw/zinc/14/52/05/656145205.db2.gz MLGDABFEZULGIQ-XQQFMLRXSA-N 3 1 259.394 -0.405 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH2+]C[C@@H]1C(F)F ZINC000923352611 658224008 /nfs/dbraw/zinc/22/40/08/658224008.db2.gz PFNJTEANGKFHQI-GHMZBOCLSA-N 2 1 281.347 -0.536 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)CCCO1 ZINC000923377800 658246565 /nfs/dbraw/zinc/24/65/65/658246565.db2.gz CBZUHAFDIOFYJR-HZSPNIEDSA-N 2 1 288.388 -0.408 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)CCCO1 ZINC000923377800 658246583 /nfs/dbraw/zinc/24/65/83/658246583.db2.gz CBZUHAFDIOFYJR-HZSPNIEDSA-N 2 1 288.388 -0.408 20 0 CBADMP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487221 658305688 /nfs/dbraw/zinc/30/56/88/658305688.db2.gz BCYDHZMWPPVDIR-MNOVXSKESA-N 2 1 286.376 -0.482 20 0 CBADMP NS(=O)(=O)C[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923531024 658314484 /nfs/dbraw/zinc/31/44/84/658314484.db2.gz LUSJEZJRFFABEC-SNVBAGLBSA-N 2 1 261.391 -0.261 20 0 CBADMP NS(=O)(=O)C[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923531024 658314505 /nfs/dbraw/zinc/31/45/05/658314505.db2.gz LUSJEZJRFFABEC-SNVBAGLBSA-N 2 1 261.391 -0.261 20 0 CBADMP Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923622410 658358005 /nfs/dbraw/zinc/35/80/05/658358005.db2.gz XXTGWMCLSJYFJJ-LLVKDONJSA-N 2 1 284.385 -0.042 20 0 CBADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)C1C[NH2+]C1 ZINC000923622401 658358577 /nfs/dbraw/zinc/35/85/77/658358577.db2.gz XOWFGOBFVVEDFQ-WDEREUQCSA-N 2 1 273.402 -0.153 20 0 CBADMP O=S(=O)([C@H]1CCC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000923636906 658368835 /nfs/dbraw/zinc/36/88/35/658368835.db2.gz TVVZNFGHEAOJIV-TUAOUCFPSA-N 2 1 273.402 -0.106 20 0 CBADMP CC[N@H+]1CC[C@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925320972 658825206 /nfs/dbraw/zinc/82/52/06/658825206.db2.gz IGDGVEIGBIUPAM-VHSXEESVSA-N 2 1 254.334 -0.437 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000925668673 658865163 /nfs/dbraw/zinc/86/51/63/658865163.db2.gz JSINOSUWEYOSSX-CMPLNLGQSA-N 2 1 253.350 -0.109 20 0 CBADMP C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000928454528 659026258 /nfs/dbraw/zinc/02/62/58/659026258.db2.gz ZRAOZDPCILRUTL-UPJWGTAASA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000928454528 659026267 /nfs/dbraw/zinc/02/62/67/659026267.db2.gz ZRAOZDPCILRUTL-UPJWGTAASA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1C ZINC000928449331 659026700 /nfs/dbraw/zinc/02/67/00/659026700.db2.gz QCDDMKNDAWHFOK-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000928551129 659035627 /nfs/dbraw/zinc/03/56/27/659035627.db2.gz LDUIUUSRLUSBKY-VXGBXAGGSA-N 2 1 253.346 -0.473 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C[NH+]1CCCC1 ZINC000929565168 659141032 /nfs/dbraw/zinc/14/10/32/659141032.db2.gz QCGSURJYUVFZED-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)C[NH+]1CCCC1 ZINC000929565168 659141037 /nfs/dbraw/zinc/14/10/37/659141037.db2.gz QCGSURJYUVFZED-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP COC[C@@]1(CO)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000930656506 659316384 /nfs/dbraw/zinc/31/63/84/659316384.db2.gz BIGAMSIJZFCVCO-KGLIPLIRSA-N 2 1 272.389 -0.226 20 0 CBADMP COC[C@@]1(CO)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000930656506 659316390 /nfs/dbraw/zinc/31/63/90/659316390.db2.gz BIGAMSIJZFCVCO-KGLIPLIRSA-N 2 1 272.389 -0.226 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC000931434233 659462043 /nfs/dbraw/zinc/46/20/43/659462043.db2.gz QZEZCXDJSZNUOW-NEPJUHHUSA-N 2 1 280.372 -0.188 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC000931434233 659462052 /nfs/dbraw/zinc/46/20/52/659462052.db2.gz QZEZCXDJSZNUOW-NEPJUHHUSA-N 2 1 280.372 -0.188 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC000931434233 659462073 /nfs/dbraw/zinc/46/20/73/659462073.db2.gz QZEZCXDJSZNUOW-NEPJUHHUSA-N 2 1 280.372 -0.188 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C[C@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442473 659462371 /nfs/dbraw/zinc/46/23/71/659462371.db2.gz IESBNEVXKKHHEM-CBBWQLFWSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)C[C@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442473 659462382 /nfs/dbraw/zinc/46/23/82/659462382.db2.gz IESBNEVXKKHHEM-CBBWQLFWSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)C[C@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442473 659462404 /nfs/dbraw/zinc/46/24/04/659462404.db2.gz IESBNEVXKKHHEM-CBBWQLFWSA-N 2 1 284.400 -0.228 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)C[C@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442474 659463957 /nfs/dbraw/zinc/46/39/57/659463957.db2.gz IESBNEVXKKHHEM-LXTVHRRPSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)C[C@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442474 659463973 /nfs/dbraw/zinc/46/39/73/659463973.db2.gz IESBNEVXKKHHEM-LXTVHRRPSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)C[C@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442474 659463987 /nfs/dbraw/zinc/46/39/87/659463987.db2.gz IESBNEVXKKHHEM-LXTVHRRPSA-N 2 1 284.400 -0.228 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442472 659466171 /nfs/dbraw/zinc/46/61/71/659466171.db2.gz IESBNEVXKKHHEM-BARDWOONSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442472 659466176 /nfs/dbraw/zinc/46/61/76/659466176.db2.gz IESBNEVXKKHHEM-BARDWOONSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442472 659466187 /nfs/dbraw/zinc/46/61/87/659466187.db2.gz IESBNEVXKKHHEM-BARDWOONSA-N 2 1 284.400 -0.228 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000052808284 656024918 /nfs/dbraw/zinc/02/49/18/656024918.db2.gz MWEAJUBPRMPASZ-OLZOCXBDSA-N 2 1 285.388 -0.327 20 0 CBADMP CS(=O)(=O)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000062084317 656032983 /nfs/dbraw/zinc/03/29/83/656032983.db2.gz KTRLVCWMZXKZBZ-GFCCVEGCSA-N 2 1 275.418 -0.047 20 0 CBADMP CCOC[C@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000069280081 656039033 /nfs/dbraw/zinc/03/90/33/656039033.db2.gz GWFXGHIAGSSXCS-NWDGAFQWSA-N 2 1 273.377 -0.829 20 0 CBADMP C[C@H]1CN(C(=O)C[N@H+](C)CCN2CC[NH2+]CC2)CCO1 ZINC000071150307 656041398 /nfs/dbraw/zinc/04/13/98/656041398.db2.gz RQZRDYIYNILZQT-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP C[C@H]1CN(C(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)CCO1 ZINC000071150307 656041400 /nfs/dbraw/zinc/04/14/00/656041400.db2.gz RQZRDYIYNILZQT-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccon1 ZINC000083054083 656050798 /nfs/dbraw/zinc/05/07/98/656050798.db2.gz OEFSPQXEDFQRFZ-UHFFFAOYSA-N 2 1 267.333 -0.199 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC[NH2+]CC1 ZINC000091668588 656059122 /nfs/dbraw/zinc/05/91/22/656059122.db2.gz OCCUYDGQRPMBBO-OLZOCXBDSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000220260800 656105221 /nfs/dbraw/zinc/10/52/21/656105221.db2.gz WACVOYUEHVPLDC-NSHDSACASA-N 2 1 278.422 -0.544 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000227127321 656108116 /nfs/dbraw/zinc/10/81/16/656108116.db2.gz VUEVZLIZBRUTGQ-NEPJUHHUSA-N 2 1 267.373 -0.035 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000232122304 656113664 /nfs/dbraw/zinc/11/36/64/656113664.db2.gz KSPAEKJXLRDOKD-GRYCIOLGSA-N 2 1 271.361 -0.670 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000251098424 656122398 /nfs/dbraw/zinc/12/23/98/656122398.db2.gz JNVVHOUCKWEMSS-UWVGGRQHSA-N 2 1 255.318 -0.911 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000251098424 656122401 /nfs/dbraw/zinc/12/24/01/656122401.db2.gz JNVVHOUCKWEMSS-UWVGGRQHSA-N 2 1 255.318 -0.911 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000251078968 656122625 /nfs/dbraw/zinc/12/26/25/656122625.db2.gz HDFLOFIZVCCJGR-YNEHKIRRSA-N 2 1 269.389 -0.053 20 0 CBADMP CCOC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252562361 656123339 /nfs/dbraw/zinc/12/33/39/656123339.db2.gz WUNDJCQXFHYVCA-YNEHKIRRSA-N 2 1 258.362 -0.163 20 0 CBADMP CCOC[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252562361 656123342 /nfs/dbraw/zinc/12/33/42/656123342.db2.gz WUNDJCQXFHYVCA-YNEHKIRRSA-N 2 1 258.362 -0.163 20 0 CBADMP O[C@H](CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000252544189 656123352 /nfs/dbraw/zinc/12/33/52/656123352.db2.gz HWDXRDDAWKBHDY-RRFJBIMHSA-N 2 1 283.416 -0.104 20 0 CBADMP CC(=O)NC[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262274129 656130094 /nfs/dbraw/zinc/13/00/94/656130094.db2.gz YQTCMZNKFMJBIU-AWEZNQCLSA-N 2 1 296.415 -0.344 20 0 CBADMP CO[C@@H]1COCC[C@H]1[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000310863051 656144038 /nfs/dbraw/zinc/14/40/38/656144038.db2.gz OHVFWYFQPKRIFF-CHWSQXEVSA-N 2 1 257.378 -0.373 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000310771521 656144049 /nfs/dbraw/zinc/14/40/49/656144049.db2.gz UGFMNPZIRBQHJF-RYUDHWBXSA-N 2 1 254.378 -0.524 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000311025514 656145153 /nfs/dbraw/zinc/14/51/53/656145153.db2.gz MLGDABFEZULGIQ-AGIUHOORSA-N 2 1 259.394 -0.405 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000311025514 656145154 /nfs/dbraw/zinc/14/51/54/656145154.db2.gz MLGDABFEZULGIQ-AGIUHOORSA-N 3 1 259.394 -0.405 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000311025514 656145157 /nfs/dbraw/zinc/14/51/57/656145157.db2.gz MLGDABFEZULGIQ-AGIUHOORSA-N 3 1 259.394 -0.405 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000311016204 656145228 /nfs/dbraw/zinc/14/52/28/656145228.db2.gz KUJUDAKTQPRHEE-UPJWGTAASA-N 2 1 259.394 -0.263 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCCC[C@H]1C[NH3+] ZINC000311183502 656145551 /nfs/dbraw/zinc/14/55/51/656145551.db2.gz ZYXDVRMQXZWBAB-STQMWFEESA-N 2 1 259.394 -0.261 20 0 CBADMP CC[C@@H]1CN(C[C@H](O)C[N@@H+](C)CCOC)CC[C@H]1[NH3+] ZINC000311686260 656146099 /nfs/dbraw/zinc/14/60/99/656146099.db2.gz JQTGMAMUYBJOEV-MGPQQGTHSA-N 2 1 273.421 -0.015 20 0 CBADMP CC[C@@H]1C[N@H+](C[C@H](O)CN(C)CCOC)CC[C@H]1[NH3+] ZINC000311686260 656146102 /nfs/dbraw/zinc/14/61/02/656146102.db2.gz JQTGMAMUYBJOEV-MGPQQGTHSA-N 2 1 273.421 -0.015 20 0 CBADMP CC[C@@H]1C[N@@H+](C[C@H](O)CN(C)CCOC)CC[C@H]1[NH3+] ZINC000311686260 656146105 /nfs/dbraw/zinc/14/61/05/656146105.db2.gz JQTGMAMUYBJOEV-MGPQQGTHSA-N 2 1 273.421 -0.015 20 0 CBADMP CC[C@@H]1CN(C[C@H](O)C[N@@H+](C)CCOC)CC[C@@H]1[NH3+] ZINC000311686259 656146366 /nfs/dbraw/zinc/14/63/66/656146366.db2.gz JQTGMAMUYBJOEV-MCIONIFRSA-N 2 1 273.421 -0.015 20 0 CBADMP CC[C@@H]1C[N@H+](C[C@H](O)CN(C)CCOC)CC[C@@H]1[NH3+] ZINC000311686259 656146367 /nfs/dbraw/zinc/14/63/67/656146367.db2.gz JQTGMAMUYBJOEV-MCIONIFRSA-N 2 1 273.421 -0.015 20 0 CBADMP CC[C@@H]1C[N@@H+](C[C@H](O)CN(C)CCOC)CC[C@@H]1[NH3+] ZINC000311686259 656146368 /nfs/dbraw/zinc/14/63/68/656146368.db2.gz JQTGMAMUYBJOEV-MCIONIFRSA-N 2 1 273.421 -0.015 20 0 CBADMP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313333748 656147520 /nfs/dbraw/zinc/14/75/20/656147520.db2.gz AHQJNQMUMYGRBR-RWMBFGLXSA-N 2 1 276.377 -0.552 20 0 CBADMP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313333748 656147522 /nfs/dbraw/zinc/14/75/22/656147522.db2.gz AHQJNQMUMYGRBR-RWMBFGLXSA-N 2 1 276.377 -0.552 20 0 CBADMP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313333752 656147682 /nfs/dbraw/zinc/14/76/82/656147682.db2.gz AHQJNQMUMYGRBR-YNEHKIRRSA-N 2 1 276.377 -0.552 20 0 CBADMP COC[C@H](C)OC[C@H](O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313333752 656147684 /nfs/dbraw/zinc/14/76/84/656147684.db2.gz AHQJNQMUMYGRBR-YNEHKIRRSA-N 2 1 276.377 -0.552 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702065249 656179778 /nfs/dbraw/zinc/17/97/78/656179778.db2.gz NVHDXAHMWABRGG-MELADBBJSA-N 2 1 271.405 -0.533 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000702348546 656180264 /nfs/dbraw/zinc/18/02/64/656180264.db2.gz CPJWSAGXHARJIQ-QWRGUYRKSA-N 2 1 256.394 -0.136 20 0 CBADMP COCCOC[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702473903 656181501 /nfs/dbraw/zinc/18/15/01/656181501.db2.gz IOPDILVWKXRTFF-MCIONIFRSA-N 2 1 272.389 -0.058 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702473903 656181502 /nfs/dbraw/zinc/18/15/02/656181502.db2.gz IOPDILVWKXRTFF-MCIONIFRSA-N 2 1 272.389 -0.058 20 0 CBADMP C[N@H+]1C[C@@H]2CN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702469901 656181625 /nfs/dbraw/zinc/18/16/25/656181625.db2.gz IZWCSUPNEJNXDO-UPJWGTAASA-N 2 1 287.429 -0.048 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000702970916 656182458 /nfs/dbraw/zinc/18/24/58/656182458.db2.gz DTSGHWRFHYYVDI-VWYCJHECSA-N 2 1 261.391 -0.535 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000702970916 656182460 /nfs/dbraw/zinc/18/24/60/656182460.db2.gz DTSGHWRFHYYVDI-VWYCJHECSA-N 2 1 261.391 -0.535 20 0 CBADMP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000703612591 656183554 /nfs/dbraw/zinc/18/35/54/656183554.db2.gz VXHVRVIMJTWQQZ-WHOHXGKFSA-N 2 1 253.346 -0.297 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000704744455 656185360 /nfs/dbraw/zinc/18/53/60/656185360.db2.gz PGOREWJCDIBPPM-UONOGXRCSA-N 2 1 273.421 -0.145 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC000708547801 656193477 /nfs/dbraw/zinc/19/34/77/656193477.db2.gz MQELZUIKQUYVHI-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708853236 656194954 /nfs/dbraw/zinc/19/49/54/656194954.db2.gz QKQPGCYZVKIOMP-UPJWGTAASA-N 2 1 259.394 -0.548 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708853236 656194957 /nfs/dbraw/zinc/19/49/57/656194957.db2.gz QKQPGCYZVKIOMP-UPJWGTAASA-N 2 1 259.394 -0.548 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708853236 656194958 /nfs/dbraw/zinc/19/49/58/656194958.db2.gz QKQPGCYZVKIOMP-UPJWGTAASA-N 2 1 259.394 -0.548 20 0 CBADMP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000710128310 656196999 /nfs/dbraw/zinc/19/69/99/656196999.db2.gz PEUSHDNCMFPIRT-IJLUTSLNSA-N 2 1 267.373 -0.036 20 0 CBADMP C[NH+](C)CC1(O)CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000710572022 656198867 /nfs/dbraw/zinc/19/88/67/656198867.db2.gz YJFXWEMKVCQQDO-AWEZNQCLSA-N 2 1 285.432 -0.170 20 0 CBADMP CN(C[C@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1)C1CC1 ZINC000710572022 656198870 /nfs/dbraw/zinc/19/88/70/656198870.db2.gz YJFXWEMKVCQQDO-AWEZNQCLSA-N 2 1 285.432 -0.170 20 0 CBADMP CC(C)NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710626153 656199370 /nfs/dbraw/zinc/19/93/70/656199370.db2.gz GLMHTRQKNRBBQS-UHFFFAOYSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NC2CC2)CC1 ZINC000710624229 656199511 /nfs/dbraw/zinc/19/95/11/656199511.db2.gz SPVTYWVBXGNRRD-UHFFFAOYSA-N 2 1 255.362 -0.347 20 0 CBADMP COC[C@@]1(C(=O)NCC[N@@H+](C)C(C)C)C[NH2+]CCO1 ZINC000710839517 656204213 /nfs/dbraw/zinc/20/42/13/656204213.db2.gz RNDOFZIQWUSJEP-CYBMUJFWSA-N 2 1 273.377 -0.552 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711270163 656206960 /nfs/dbraw/zinc/20/69/60/656206960.db2.gz BKITUCOBQHKBKM-ZDUSSCGKSA-N 2 1 282.432 -0.014 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCOC2CC2)C1 ZINC000711766995 656209736 /nfs/dbraw/zinc/20/97/36/656209736.db2.gz YJYZDLSASSLRDE-NSHDSACASA-N 2 1 255.362 -0.048 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CCC1(C)C ZINC000712669326 656211091 /nfs/dbraw/zinc/21/10/91/656211091.db2.gz BAJMKEZZKKOKDC-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CC2(CO1)CCOCC2 ZINC000712698584 656211449 /nfs/dbraw/zinc/21/14/49/656211449.db2.gz RMLVZHFRXKCSIU-NEPJUHHUSA-N 2 1 258.362 -0.177 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CC2(CO1)CCOCC2 ZINC000712698584 656211452 /nfs/dbraw/zinc/21/14/52/656211452.db2.gz RMLVZHFRXKCSIU-NEPJUHHUSA-N 2 1 258.362 -0.177 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000715129761 656218748 /nfs/dbraw/zinc/21/87/48/656218748.db2.gz TTXULVCTGCUPTK-QWRGUYRKSA-N 2 1 290.358 -0.420 20 0 CBADMP O=C(N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C12CC[NH+](CC1)C2 ZINC000715863927 656220969 /nfs/dbraw/zinc/22/09/69/656220969.db2.gz LMYORDDMKZFZBP-NWDGAFQWSA-N 2 1 265.357 -0.640 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CC)[C@@H]2CC[NH2+]C2)C1 ZINC000884787053 656255027 /nfs/dbraw/zinc/25/50/27/656255027.db2.gz FJDHHAAOQPWVPU-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884787655 656255045 /nfs/dbraw/zinc/25/50/45/656255045.db2.gz YKWQAAXGEZAPIA-XQQFMLRXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC[C@H]21 ZINC000885192864 656259840 /nfs/dbraw/zinc/25/98/40/656259840.db2.gz KLJVVFVYTPKPMG-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885194755 656260253 /nfs/dbraw/zinc/26/02/53/656260253.db2.gz DCMVEVYCFUSZRJ-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP CCN(CCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000886848431 656266983 /nfs/dbraw/zinc/26/69/83/656266983.db2.gz CMDSTICXYMVYSE-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000890066194 656270175 /nfs/dbraw/zinc/27/01/75/656270175.db2.gz QFZXSDFJIOATAI-WCQYABFASA-N 2 1 272.393 -0.308 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000892439268 656271466 /nfs/dbraw/zinc/27/14/66/656271466.db2.gz MHZXZICIAOUBJP-YRGRVCCFSA-N 2 1 284.404 -0.130 20 0 CBADMP CNC(=O)NC[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000895565271 656280908 /nfs/dbraw/zinc/28/09/08/656280908.db2.gz QRKBREZBLWLCJA-CYBMUJFWSA-N 2 1 284.404 -0.042 20 0 CBADMP CNC(=O)NC[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000895565271 656280912 /nfs/dbraw/zinc/28/09/12/656280912.db2.gz QRKBREZBLWLCJA-CYBMUJFWSA-N 2 1 284.404 -0.042 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895713971 656283374 /nfs/dbraw/zinc/28/33/74/656283374.db2.gz XOIMMLHEIKLFQU-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](C)CCN1C ZINC000896560801 656289217 /nfs/dbraw/zinc/28/92/17/656289217.db2.gz TVRLEDPSCZTCHG-RWMBFGLXSA-N 2 1 268.405 -0.311 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](C)CCN1C ZINC000896560801 656289219 /nfs/dbraw/zinc/28/92/19/656289219.db2.gz TVRLEDPSCZTCHG-RWMBFGLXSA-N 2 1 268.405 -0.311 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](C)CCN1C ZINC000896560801 656289221 /nfs/dbraw/zinc/28/92/21/656289221.db2.gz TVRLEDPSCZTCHG-RWMBFGLXSA-N 2 1 268.405 -0.311 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC[N@@H+]1C ZINC000900846183 656313784 /nfs/dbraw/zinc/31/37/84/656313784.db2.gz FZEIPCFAQNNAMB-TZMCWYRMSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC[N@H+]1C ZINC000900846183 656313785 /nfs/dbraw/zinc/31/37/85/656313785.db2.gz FZEIPCFAQNNAMB-TZMCWYRMSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC[NH+]1C ZINC000900846183 656313787 /nfs/dbraw/zinc/31/37/87/656313787.db2.gz FZEIPCFAQNNAMB-TZMCWYRMSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC[NH+]1C ZINC000900846183 656313789 /nfs/dbraw/zinc/31/37/89/656313789.db2.gz FZEIPCFAQNNAMB-TZMCWYRMSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CC[N@H+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900913732 656314202 /nfs/dbraw/zinc/31/42/02/656314202.db2.gz ZBSIAFNSMZPZIM-YRGRVCCFSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900913732 656314204 /nfs/dbraw/zinc/31/42/04/656314204.db2.gz ZBSIAFNSMZPZIM-YRGRVCCFSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900913732 656314207 /nfs/dbraw/zinc/31/42/07/656314207.db2.gz ZBSIAFNSMZPZIM-YRGRVCCFSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900913732 656314210 /nfs/dbraw/zinc/31/42/10/656314210.db2.gz ZBSIAFNSMZPZIM-YRGRVCCFSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(C(C)(C)CO)CC1 ZINC000901227939 656317676 /nfs/dbraw/zinc/31/76/76/656317676.db2.gz JRDGBDGDFUZJQL-SWLSCSKDSA-N 2 1 299.415 -0.643 20 0 CBADMP CNC(=O)[C@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903755245 656322445 /nfs/dbraw/zinc/32/24/45/656322445.db2.gz DEASRNISLMJFIX-QWHCGFSZSA-N 2 1 297.399 -0.408 20 0 CBADMP CNC(=O)[C@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903755245 656322448 /nfs/dbraw/zinc/32/24/48/656322448.db2.gz DEASRNISLMJFIX-QWHCGFSZSA-N 2 1 297.399 -0.408 20 0 CBADMP CN(C)C(=O)NCC[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903756049 656322537 /nfs/dbraw/zinc/32/25/37/656322537.db2.gz ONZTXJRYPPOGSI-GXTWGEPZSA-N 2 1 284.404 -0.042 20 0 CBADMP [NH3+][C@H]1C[C@@H](CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000904316581 656324249 /nfs/dbraw/zinc/32/42/49/656324249.db2.gz QEGBUUQALMIKDE-OKILXGFUSA-N 2 1 280.416 -0.036 20 0 CBADMP c1cc(N2CC[NH2+]CC2)oc1CNC[C@H]1COCC[NH2+]1 ZINC000904380855 656325700 /nfs/dbraw/zinc/32/57/00/656325700.db2.gz IRGWEBWSDYMMCV-LBPRGKRZSA-N 2 1 280.372 -0.233 20 0 CBADMP C[C@]1(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904428425 656326803 /nfs/dbraw/zinc/32/68/03/656326803.db2.gz KHOSHKMZCQKZEO-NEPJUHHUSA-N 2 1 275.418 -0.014 20 0 CBADMP CC[NH+](CC)CCNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000905016892 656334512 /nfs/dbraw/zinc/33/45/12/656334512.db2.gz AXWBFULELGSBSM-UHFFFAOYSA-N 2 1 270.421 -0.062 20 0 CBADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905036733 656336021 /nfs/dbraw/zinc/33/60/21/656336021.db2.gz UKVDOZSKMKGWAM-CYBMUJFWSA-N 2 1 290.404 -0.553 20 0 CBADMP C[C@@H]1C[NH2+]CCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905329711 656349232 /nfs/dbraw/zinc/34/92/32/656349232.db2.gz MHOULXAJXDVIAE-SNVBAGLBSA-N 2 1 261.391 -0.391 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000905345099 656351126 /nfs/dbraw/zinc/35/11/26/656351126.db2.gz LIAKGMSFVCPUJO-RRFJBIMHSA-N 2 1 282.384 -0.017 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CC[C@@H](O)[C@@H](O)CC1)C1CC1 ZINC000905465371 656358990 /nfs/dbraw/zinc/35/89/90/656358990.db2.gz LCPWDWCMYUMHTO-DEQVHRJGSA-N 2 1 272.389 -0.305 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CC[C@@H](O)[C@@H](O)CC1)C1CC1 ZINC000905465371 656358992 /nfs/dbraw/zinc/35/89/92/656358992.db2.gz LCPWDWCMYUMHTO-DEQVHRJGSA-N 2 1 272.389 -0.305 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C1CN(C)CC[NH+](C)C1 ZINC000906520244 656390043 /nfs/dbraw/zinc/39/00/43/656390043.db2.gz ALJMFARHRBFXAQ-UHFFFAOYSA-N 2 1 286.420 -0.826 20 0 CBADMP COCC[NH+](C)CCNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906520244 656390045 /nfs/dbraw/zinc/39/00/45/656390045.db2.gz ALJMFARHRBFXAQ-UHFFFAOYSA-N 2 1 286.420 -0.826 20 0 CBADMP COCC[NH+](C)CCNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906520244 656390046 /nfs/dbraw/zinc/39/00/46/656390046.db2.gz ALJMFARHRBFXAQ-UHFFFAOYSA-N 2 1 286.420 -0.826 20 0 CBADMP COC(=O)CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000906662227 656396169 /nfs/dbraw/zinc/39/61/69/656396169.db2.gz VTLLIQIHABGGRE-NSHDSACASA-N 2 1 283.372 -0.166 20 0 CBADMP COC(=O)CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000906662227 656396170 /nfs/dbraw/zinc/39/61/70/656396170.db2.gz VTLLIQIHABGGRE-NSHDSACASA-N 2 1 283.372 -0.166 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000906692143 656397942 /nfs/dbraw/zinc/39/79/42/656397942.db2.gz IXJSSCLGGISWGD-ZDUSSCGKSA-N 2 1 282.432 -0.110 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996614396 656446688 /nfs/dbraw/zinc/44/66/88/656446688.db2.gz NCBVPEOCHISPKC-GHMZBOCLSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1)C(N)=O ZINC000996723366 656453978 /nfs/dbraw/zinc/45/39/78/656453978.db2.gz MAOPKGOLEDGFJK-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1)C(N)=O ZINC000996723363 656454705 /nfs/dbraw/zinc/45/47/05/656454705.db2.gz MAOPKGOLEDGFJK-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](CCO)CC1 ZINC000996991114 656463656 /nfs/dbraw/zinc/46/36/56/656463656.db2.gz IYYNEMNPABZKNO-OCCSQVGLSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCO)CC1 ZINC000996991114 656463657 /nfs/dbraw/zinc/46/36/57/656463657.db2.gz IYYNEMNPABZKNO-OCCSQVGLSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]([NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1)C(N)=O ZINC000997008011 656463892 /nfs/dbraw/zinc/46/38/92/656463892.db2.gz SVSWAPVATGKIHB-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997183360 656469510 /nfs/dbraw/zinc/46/95/10/656469510.db2.gz JPWQLJMCGKXUFZ-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP NC(=O)C[NH2+]C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000997219869 656469604 /nfs/dbraw/zinc/46/96/04/656469604.db2.gz PILOUJBVLOKXNT-HNNXBMFYSA-N 2 1 294.399 -0.462 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000997300526 656472866 /nfs/dbraw/zinc/47/28/66/656472866.db2.gz WNSXDPPHLMQSKZ-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NCCOCC[NH+](C)C)C1 ZINC000907233176 656476296 /nfs/dbraw/zinc/47/62/96/656476296.db2.gz JIPJLSRGPKXGKQ-UHFFFAOYSA-N 2 1 286.420 -0.826 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC000997422404 656476810 /nfs/dbraw/zinc/47/68/10/656476810.db2.gz XSFOXBTUIOTBGF-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP Cn1cncc1CCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000907308512 656486155 /nfs/dbraw/zinc/48/61/55/656486155.db2.gz UPKYKNKSWSFCOJ-CQSZACIVSA-N 2 1 280.372 -0.074 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000907448488 656507958 /nfs/dbraw/zinc/50/79/58/656507958.db2.gz OGRDWQAEGICSQD-GXTWGEPZSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907448488 656507966 /nfs/dbraw/zinc/50/79/66/656507966.db2.gz OGRDWQAEGICSQD-GXTWGEPZSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000907448488 656507976 /nfs/dbraw/zinc/50/79/76/656507976.db2.gz OGRDWQAEGICSQD-GXTWGEPZSA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)N1CC(NC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000907514298 656518851 /nfs/dbraw/zinc/51/88/51/656518851.db2.gz DYBRXCNXFPSTMT-UHFFFAOYSA-N 2 1 268.405 -0.311 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCN1CCCOCC1 ZINC000907614412 656541288 /nfs/dbraw/zinc/54/12/88/656541288.db2.gz YCVIUQIIUVMAGO-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CC2(C1)CCN(C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C2 ZINC000907762548 656569926 /nfs/dbraw/zinc/56/99/26/656569926.db2.gz FRHHHXKHZVHNSH-AAEUAGOBSA-N 2 1 267.373 -0.394 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000998866452 656590160 /nfs/dbraw/zinc/59/01/60/656590160.db2.gz JKHZIRCFXXTZMY-WXRRBKDZSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999146468 656612677 /nfs/dbraw/zinc/61/26/77/656612677.db2.gz WJGGGTFIWSTEDC-STQMWFEESA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)CC[N@H+]1C ZINC000999197962 656615383 /nfs/dbraw/zinc/61/53/83/656615383.db2.gz ZJQDQEVAYMCJTB-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H]1C[NH+]2CCN1CCC2)C1CCC1 ZINC000908029447 656627136 /nfs/dbraw/zinc/62/71/36/656627136.db2.gz KOFMZBGATYMZMW-CQSZACIVSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+](CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)C1CCC1 ZINC000908029447 656627144 /nfs/dbraw/zinc/62/71/44/656627144.db2.gz KOFMZBGATYMZMW-CQSZACIVSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+](CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)C1CCC1 ZINC000908029447 656627149 /nfs/dbraw/zinc/62/71/49/656627149.db2.gz KOFMZBGATYMZMW-CQSZACIVSA-N 2 1 280.416 -0.023 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999513259 656631964 /nfs/dbraw/zinc/63/19/64/656631964.db2.gz RSJROXANOJKGGD-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999711441 656644954 /nfs/dbraw/zinc/64/49/54/656644954.db2.gz FGEIZTABTGYFBZ-LLVKDONJSA-N 2 1 279.344 -0.743 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC000999715913 656648011 /nfs/dbraw/zinc/64/80/11/656648011.db2.gz YEDKGBQRQKEGHP-NWDGAFQWSA-N 2 1 293.371 -0.354 20 0 CBADMP CN(C(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CC([NH2+]CC(N)=O)C1 ZINC000999760968 656650575 /nfs/dbraw/zinc/65/05/75/656650575.db2.gz WJRWOVLLNGWFSC-QOZQQMKHSA-N 2 1 294.399 -0.463 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC000999838882 656654898 /nfs/dbraw/zinc/65/48/98/656654898.db2.gz ZTOQLQJHVCCNQJ-GCVQQVDUSA-N 2 1 293.371 -0.356 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1)[NH+](C)C ZINC000908200583 656664658 /nfs/dbraw/zinc/66/46/58/656664658.db2.gz JSJDWLLVTVFQOS-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001000191603 656699733 /nfs/dbraw/zinc/69/97/33/656699733.db2.gz JXPBTDSJUSMWFM-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001000191607 656700330 /nfs/dbraw/zinc/70/03/30/656700330.db2.gz JXPBTDSJUSMWFM-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000198850 656702585 /nfs/dbraw/zinc/70/25/85/656702585.db2.gz LMPNWRUUTBKYSX-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000908346341 656711370 /nfs/dbraw/zinc/71/13/70/656711370.db2.gz GBSZXQQCJFJCMP-OPDFLTKYSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000908346341 656711378 /nfs/dbraw/zinc/71/13/78/656711378.db2.gz GBSZXQQCJFJCMP-OPDFLTKYSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000908346341 656711386 /nfs/dbraw/zinc/71/13/86/656711386.db2.gz GBSZXQQCJFJCMP-OPDFLTKYSA-N 2 1 267.373 -0.396 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC2=CC[NH+](CCCO)CC2)C1 ZINC001000548852 656734260 /nfs/dbraw/zinc/73/42/60/656734260.db2.gz YTILQLUYWZASFL-AWEZNQCLSA-N 2 1 297.399 -0.552 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC2=CC[NH+](CCCO)CC2)C1 ZINC001000548852 656734272 /nfs/dbraw/zinc/73/42/72/656734272.db2.gz YTILQLUYWZASFL-AWEZNQCLSA-N 2 1 297.399 -0.552 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCC2=CC[N@H+](CCCO)CC2)C1 ZINC001000548852 656734281 /nfs/dbraw/zinc/73/42/81/656734281.db2.gz YTILQLUYWZASFL-AWEZNQCLSA-N 2 1 297.399 -0.552 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCC2=CC[N@@H+](CCCO)CC2)C1 ZINC001000548852 656734288 /nfs/dbraw/zinc/73/42/88/656734288.db2.gz YTILQLUYWZASFL-AWEZNQCLSA-N 2 1 297.399 -0.552 20 0 CBADMP C[C@@H](O)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000547851 656736771 /nfs/dbraw/zinc/73/67/71/656736771.db2.gz PIYROGBDYSJNTH-OCCSQVGLSA-N 2 1 297.399 -0.554 20 0 CBADMP C[C@@H](O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000547851 656736784 /nfs/dbraw/zinc/73/67/84/656736784.db2.gz PIYROGBDYSJNTH-OCCSQVGLSA-N 2 1 297.399 -0.554 20 0 CBADMP C[C@@H](O)C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001000547851 656736795 /nfs/dbraw/zinc/73/67/95/656736795.db2.gz PIYROGBDYSJNTH-OCCSQVGLSA-N 2 1 297.399 -0.554 20 0 CBADMP C[C@@H](O)C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001000547851 656736807 /nfs/dbraw/zinc/73/68/07/656736807.db2.gz PIYROGBDYSJNTH-OCCSQVGLSA-N 2 1 297.399 -0.554 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000908533493 656743193 /nfs/dbraw/zinc/74/31/93/656743193.db2.gz OKYPGEHZLOWGOB-UHFFFAOYSA-N 2 1 268.405 -0.500 20 0 CBADMP CN1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000908539878 656745105 /nfs/dbraw/zinc/74/51/05/656745105.db2.gz DHKKOVIXSCKRNL-NFAWXSAZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000908539878 656745112 /nfs/dbraw/zinc/74/51/12/656745112.db2.gz DHKKOVIXSCKRNL-NFAWXSAZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000908539878 656745124 /nfs/dbraw/zinc/74/51/24/656745124.db2.gz DHKKOVIXSCKRNL-NFAWXSAZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000908539878 656745131 /nfs/dbraw/zinc/74/51/31/656745131.db2.gz DHKKOVIXSCKRNL-NFAWXSAZSA-N 2 1 299.415 -0.596 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001000919833 656774437 /nfs/dbraw/zinc/77/44/37/656774437.db2.gz NHBWKDZORNQCIR-JQWIXIFHSA-N 2 1 293.371 -0.354 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000979782 656780917 /nfs/dbraw/zinc/78/09/17/656780917.db2.gz TVTZBUUWNOAAKV-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000979782 656780928 /nfs/dbraw/zinc/78/09/28/656780928.db2.gz TVTZBUUWNOAAKV-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001001262125 656805524 /nfs/dbraw/zinc/80/55/24/656805524.db2.gz BMIFDBSHAIUPON-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP O=C(NCC1=CC[N@@H+](CCO)CC1)C12CC[NH+](CC1)C2 ZINC001001374685 656808303 /nfs/dbraw/zinc/80/83/03/656808303.db2.gz VXFCULJNCAPCSH-UHFFFAOYSA-N 2 1 279.384 -0.177 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002119489 656826924 /nfs/dbraw/zinc/82/69/24/656826924.db2.gz ARWBISMIIFQEON-AAEUAGOBSA-N 2 1 296.415 -0.360 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002476091 656835259 /nfs/dbraw/zinc/83/52/59/656835259.db2.gz PPARLLIWVNOIQO-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCCO)CC2)C1 ZINC001002531075 656836162 /nfs/dbraw/zinc/83/61/62/656836162.db2.gz DFKAKJLFDGFOGX-CYBMUJFWSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCCO)CC2)C1 ZINC001002531075 656836163 /nfs/dbraw/zinc/83/61/63/656836163.db2.gz DFKAKJLFDGFOGX-CYBMUJFWSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002536640 656836481 /nfs/dbraw/zinc/83/64/81/656836481.db2.gz UODATDPLNIKDTD-DGCLKSJQSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002536640 656836483 /nfs/dbraw/zinc/83/64/83/656836483.db2.gz UODATDPLNIKDTD-DGCLKSJQSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001003627818 656866229 /nfs/dbraw/zinc/86/62/29/656866229.db2.gz ITYVVWPYLCTRAM-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003627818 656866231 /nfs/dbraw/zinc/86/62/31/656866231.db2.gz ITYVVWPYLCTRAM-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[NH+](CC)CC1 ZINC000910556274 656875091 /nfs/dbraw/zinc/87/50/91/656875091.db2.gz IJMHDLNXBOKXNV-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[NH+](CC)CC1 ZINC000910556274 656875096 /nfs/dbraw/zinc/87/50/96/656875096.db2.gz IJMHDLNXBOKXNV-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCC[N@H+](CC)CC1 ZINC000910556274 656875098 /nfs/dbraw/zinc/87/50/98/656875098.db2.gz IJMHDLNXBOKXNV-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000910556274 656875103 /nfs/dbraw/zinc/87/51/03/656875103.db2.gz IJMHDLNXBOKXNV-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910555044 656875612 /nfs/dbraw/zinc/87/56/12/656875612.db2.gz OOURRZOHXPKCDC-SWLSCSKDSA-N 2 1 296.415 -0.584 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001003970845 656878854 /nfs/dbraw/zinc/87/88/54/656878854.db2.gz LGFUVCGWHCYNDQ-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004147425 656881802 /nfs/dbraw/zinc/88/18/02/656881802.db2.gz HCSMIKHRMQUMIK-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004145748 656881950 /nfs/dbraw/zinc/88/19/50/656881950.db2.gz TVLRTZUZIOBTLE-QWRGUYRKSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004145748 656881953 /nfs/dbraw/zinc/88/19/53/656881953.db2.gz TVLRTZUZIOBTLE-QWRGUYRKSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC001004184055 656882240 /nfs/dbraw/zinc/88/22/40/656882240.db2.gz BXEPALMATYEOGV-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC001004184055 656882241 /nfs/dbraw/zinc/88/22/41/656882241.db2.gz BXEPALMATYEOGV-TZMCWYRMSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001004179763 656882294 /nfs/dbraw/zinc/88/22/94/656882294.db2.gz TWHAXHQJFPBHCK-ZDUSSCGKSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001004179763 656882296 /nfs/dbraw/zinc/88/22/96/656882296.db2.gz TWHAXHQJFPBHCK-ZDUSSCGKSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCCO)CC2)C1 ZINC001004180282 656882567 /nfs/dbraw/zinc/88/25/67/656882567.db2.gz YSRMBMWCTXWIDB-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCCO)CC2)C1 ZINC001004180282 656882569 /nfs/dbraw/zinc/88/25/69/656882569.db2.gz YSRMBMWCTXWIDB-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005181515 656894475 /nfs/dbraw/zinc/89/44/75/656894475.db2.gz XMOWKSSCRNCKTF-AAEUAGOBSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001005181515 656894489 /nfs/dbraw/zinc/89/44/89/656894489.db2.gz XMOWKSSCRNCKTF-AAEUAGOBSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001005181531 656895031 /nfs/dbraw/zinc/89/50/31/656895031.db2.gz XMOWKSSCRNCKTF-WCQYABFASA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001005181531 656895035 /nfs/dbraw/zinc/89/50/35/656895035.db2.gz XMOWKSSCRNCKTF-WCQYABFASA-N 2 1 296.415 -0.123 20 0 CBADMP 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 656928567 /nfs/dbraw/zinc/92/85/67/656928567.db2.gz IXSCHEDDZWFYIR-NJMOYASZSA-N 2 1 294.399 -0.406 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000911007926 656928885 /nfs/dbraw/zinc/92/88/85/656928885.db2.gz LFCLZQSFQSMWNL-FVCCEPFGSA-N 2 1 296.415 -0.443 20 0 CBADMP 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 656929339 /nfs/dbraw/zinc/92/93/39/656929339.db2.gz IXSCHEDDZWFYIR-JZRPKSSGSA-N 2 1 294.399 -0.406 20 0 CBADMP CN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CC(N)=O)CC1 ZINC001005935574 656933211 /nfs/dbraw/zinc/93/32/11/656933211.db2.gz YCFWSTSMDCXANZ-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC[NH+](CC(N)=O)CC2)C1 ZINC001005990429 656933301 /nfs/dbraw/zinc/93/33/01/656933301.db2.gz GSDVVFLPYKOWME-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC[NH+](CC(N)=O)CC2)C1 ZINC001005990429 656933309 /nfs/dbraw/zinc/93/33/09/656933309.db2.gz GSDVVFLPYKOWME-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000911073185 656941044 /nfs/dbraw/zinc/94/10/44/656941044.db2.gz QRCNZIZZYUWVFZ-JFGNBEQYSA-N 2 1 280.372 -0.937 20 0 CBADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000911074091 656941232 /nfs/dbraw/zinc/94/12/32/656941232.db2.gz YYRWWPJJGJXJIJ-VXGBXAGGSA-N 2 1 294.399 -0.463 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911138557 656961707 /nfs/dbraw/zinc/96/17/07/656961707.db2.gz RZNAWADDYCLNAR-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)C[N@H+]1C1CC1 ZINC000911148032 656962675 /nfs/dbraw/zinc/96/26/75/656962675.db2.gz UMOLXSOHIPOOIP-ZJUUUORDSA-N 2 1 280.372 -0.665 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911146265 656963307 /nfs/dbraw/zinc/96/33/07/656963307.db2.gz KPLYQPQGKRBALP-MWLCHTKSSA-N 2 1 280.372 -0.807 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000911148657 656965780 /nfs/dbraw/zinc/96/57/80/656965780.db2.gz ZHXMLAOICTVRJX-MPPDQPJWSA-N 2 1 294.399 -0.548 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)C[C@H]1[NH3+] ZINC000911160308 656966597 /nfs/dbraw/zinc/96/65/97/656966597.db2.gz AVJDNEIDQGXSEQ-YNEHKIRRSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911161536 656968369 /nfs/dbraw/zinc/96/83/69/656968369.db2.gz LONXZRQVJSMZFP-LLVKDONJSA-N 2 1 282.388 -0.558 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911187114 656976251 /nfs/dbraw/zinc/97/62/51/656976251.db2.gz MLSZHNFCPNOPJI-JHJVBQTASA-N 2 1 298.431 -0.114 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCO)C1 ZINC001006926875 656980270 /nfs/dbraw/zinc/98/02/70/656980270.db2.gz OAGIEVOGQVOWBK-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001006926875 656980298 /nfs/dbraw/zinc/98/02/98/656980298.db2.gz OAGIEVOGQVOWBK-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001006926875 656980313 /nfs/dbraw/zinc/98/03/13/656980313.db2.gz OAGIEVOGQVOWBK-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911208141 656984781 /nfs/dbraw/zinc/98/47/81/656984781.db2.gz JXQIVVQIRGDNGM-JHJVBQTASA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911255252 657000340 /nfs/dbraw/zinc/00/03/40/657000340.db2.gz JGUXNHWSYXUIDU-YNEHKIRRSA-N 2 1 296.415 -0.156 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NCCNc1ccc(C)c[nH+]1 ZINC000911279107 657007703 /nfs/dbraw/zinc/00/77/03/657007703.db2.gz BTZLSMOVZPNVRA-UHFFFAOYSA-N 2 1 279.344 -0.746 20 0 CBADMP CNC(=O)CN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001007370336 657008155 /nfs/dbraw/zinc/00/81/55/657008155.db2.gz ZFTIYVBBJJXQCI-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC1C[NH2+]C1 ZINC000911287772 657011094 /nfs/dbraw/zinc/01/10/94/657011094.db2.gz HLRACIONEUJMPM-CYBMUJFWSA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC1C[NH2+]C1 ZINC000911287772 657011098 /nfs/dbraw/zinc/01/10/98/657011098.db2.gz HLRACIONEUJMPM-CYBMUJFWSA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000911291496 657012255 /nfs/dbraw/zinc/01/22/55/657012255.db2.gz KYJABJUBEIKISZ-OLZOCXBDSA-N 2 1 298.431 -0.114 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000911291496 657012263 /nfs/dbraw/zinc/01/22/63/657012263.db2.gz KYJABJUBEIKISZ-OLZOCXBDSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911293994 657013416 /nfs/dbraw/zinc/01/34/16/657013416.db2.gz UJCTVGMHCSRXIN-UHIISALHSA-N 2 1 282.388 -0.893 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000911336809 657022258 /nfs/dbraw/zinc/02/22/58/657022258.db2.gz NVQJXNYLAWCCCC-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911338111 657022641 /nfs/dbraw/zinc/02/26/41/657022641.db2.gz XXFLAMIDRATPJY-NWDGAFQWSA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000911339305 657024133 /nfs/dbraw/zinc/02/41/33/657024133.db2.gz ULERTNMCZIGYMA-NSHDSACASA-N 2 1 293.371 -0.358 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911349297 657026214 /nfs/dbraw/zinc/02/62/14/657026214.db2.gz YUFWPEJVYLHATO-NWDGAFQWSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000911370000 657028944 /nfs/dbraw/zinc/02/89/44/657028944.db2.gz KQIQQARRJADCDZ-FDYHWXHSSA-N 2 1 296.415 -0.348 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000911370000 657028947 /nfs/dbraw/zinc/02/89/47/657028947.db2.gz KQIQQARRJADCDZ-FDYHWXHSSA-N 2 1 296.415 -0.348 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911370358 657029723 /nfs/dbraw/zinc/02/97/23/657029723.db2.gz XYCURYHRJOCDGE-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000911387899 657034035 /nfs/dbraw/zinc/03/40/35/657034035.db2.gz FFHCCNOZQQYTKX-UPJWGTAASA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001008543508 657049154 /nfs/dbraw/zinc/04/91/54/657049154.db2.gz WPFFFKUZBYWASA-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001008543508 657049160 /nfs/dbraw/zinc/04/91/60/657049160.db2.gz WPFFFKUZBYWASA-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001008543508 657049166 /nfs/dbraw/zinc/04/91/66/657049166.db2.gz WPFFFKUZBYWASA-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911502761 657057636 /nfs/dbraw/zinc/05/76/36/657057636.db2.gz ICOMQECUNTZTGH-UHFFFAOYSA-N 2 1 268.361 -0.852 20 0 CBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503177 657057808 /nfs/dbraw/zinc/05/78/08/657057808.db2.gz MLRKPPHCIQIQIM-NEPJUHHUSA-N 2 1 294.399 -0.463 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CC3)CC[C@@H]21 ZINC000911506597 657060575 /nfs/dbraw/zinc/06/05/75/657060575.db2.gz PMVOONGPRXKGCR-MNOVXSKESA-N 2 1 280.372 -0.854 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911527514 657067571 /nfs/dbraw/zinc/06/75/71/657067571.db2.gz GPTGKNJFALWHMZ-NWDGAFQWSA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)C1 ZINC000911531549 657068366 /nfs/dbraw/zinc/06/83/66/657068366.db2.gz HUROCAVSLOIYDZ-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911534574 657069607 /nfs/dbraw/zinc/06/96/07/657069607.db2.gz UYJKFSZIPMYNDW-UHFFFAOYSA-N 2 1 270.377 -0.748 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000911534978 657069747 /nfs/dbraw/zinc/06/97/47/657069747.db2.gz XNRVLFJSPVGFHS-RYUDHWBXSA-N 2 1 294.399 -0.593 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000911532084 657070522 /nfs/dbraw/zinc/07/05/22/657070522.db2.gz KETRSHPHHZKZIM-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009516113 657076493 /nfs/dbraw/zinc/07/64/93/657076493.db2.gz MMTHJOZEQCMFAZ-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009516113 657076497 /nfs/dbraw/zinc/07/64/97/657076497.db2.gz MMTHJOZEQCMFAZ-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001009516113 657076501 /nfs/dbraw/zinc/07/65/01/657076501.db2.gz MMTHJOZEQCMFAZ-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009516113 657076506 /nfs/dbraw/zinc/07/65/06/657076506.db2.gz MMTHJOZEQCMFAZ-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC001009507897 657076911 /nfs/dbraw/zinc/07/69/11/657076911.db2.gz INZYKNGMYKTVSA-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC001009507897 657076921 /nfs/dbraw/zinc/07/69/21/657076921.db2.gz INZYKNGMYKTVSA-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC001009507897 657076924 /nfs/dbraw/zinc/07/69/24/657076924.db2.gz INZYKNGMYKTVSA-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911559201 657077741 /nfs/dbraw/zinc/07/77/41/657077741.db2.gz CBLSPYOKNVOADW-SRVKXCTJSA-N 2 1 282.388 -0.560 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001009523836 657078748 /nfs/dbraw/zinc/07/87/48/657078748.db2.gz NJAVIJHACBSDKT-GFCCVEGCSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001009523836 657078753 /nfs/dbraw/zinc/07/87/53/657078753.db2.gz NJAVIJHACBSDKT-GFCCVEGCSA-N 2 1 266.345 -0.236 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCC1(C)C ZINC000911562619 657078922 /nfs/dbraw/zinc/07/89/22/657078922.db2.gz FRKAEOAWROGBOT-HAQNSBGRSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[C@@H]1C ZINC000911564415 657080280 /nfs/dbraw/zinc/08/02/80/657080280.db2.gz YNCIVOYYFDIRCF-RNJOBUHISA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[C@@H]1C ZINC000911564415 657080284 /nfs/dbraw/zinc/08/02/84/657080284.db2.gz YNCIVOYYFDIRCF-RNJOBUHISA-N 2 1 296.415 -0.219 20 0 CBADMP 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 657080332 /nfs/dbraw/zinc/08/03/32/657080332.db2.gz PKPVBPQRUKBGSN-BLTAXRJOSA-N 2 1 294.399 -0.750 20 0 CBADMP Cc1sc(C[NH3+])nc1C(=O)NCCN1CC[NH2+]CC1 ZINC000911693821 657105401 /nfs/dbraw/zinc/10/54/01/657105401.db2.gz OSFHBKYLAQRQPM-UHFFFAOYSA-N 2 1 283.401 -0.455 20 0 CBADMP C[C@@H](Cc1cnc[nH]1)C(=O)NCCN1CC[NH2+]CC1 ZINC000911696163 657105495 /nfs/dbraw/zinc/10/54/95/657105495.db2.gz RPTFCVFMDUVTCB-NSHDSACASA-N 2 1 265.361 -0.390 20 0 CBADMP Cc1sc(C[NH3+])nc1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911879637 657153782 /nfs/dbraw/zinc/15/37/82/657153782.db2.gz OUPPNYGOLSCROS-VIFPVBQESA-N 2 1 283.401 -0.375 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000912049533 657187770 /nfs/dbraw/zinc/18/77/70/657187770.db2.gz MVDGQTJLACIJIP-XBXGTLAGSA-N 2 1 282.432 -0.064 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](C)C[C@H]2CO)C1 ZINC000912736835 657323406 /nfs/dbraw/zinc/32/34/06/657323406.db2.gz ZDBPMOREPWDLCU-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+](C)C[C@H]2CO)C1 ZINC000912736835 657323413 /nfs/dbraw/zinc/32/34/13/657323413.db2.gz ZDBPMOREPWDLCU-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[N@H+](C)C[C@H]2CO)C1 ZINC000912736835 657323423 /nfs/dbraw/zinc/32/34/23/657323423.db2.gz ZDBPMOREPWDLCU-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[N@@H+](C)C[C@H]2CO)C1 ZINC000912736835 657323430 /nfs/dbraw/zinc/32/34/30/657323430.db2.gz ZDBPMOREPWDLCU-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC[NH2+]1 ZINC000912766866 657341458 /nfs/dbraw/zinc/34/14/58/657341458.db2.gz AEBJPDYCOXJDTR-AWEZNQCLSA-N 2 1 282.432 -0.064 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001014460755 657361002 /nfs/dbraw/zinc/36/10/02/657361002.db2.gz YUOPHQHFXIMYFM-OLZOCXBDSA-N 2 1 267.373 -0.489 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)CC[N@H+]1C ZINC001014481993 657363427 /nfs/dbraw/zinc/36/34/27/657363427.db2.gz BUPYXFCVFGEMLS-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CCCO)C2)CC[NH+]1C ZINC001014481993 657363435 /nfs/dbraw/zinc/36/34/35/657363435.db2.gz BUPYXFCVFGEMLS-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CCCO)C2)CC[NH+]1C ZINC001014481993 657363442 /nfs/dbraw/zinc/36/34/42/657363442.db2.gz BUPYXFCVFGEMLS-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001014722347 657379278 /nfs/dbraw/zinc/37/92/78/657379278.db2.gz MFZWHKWKAOFHSG-RYUDHWBXSA-N 2 1 278.356 -0.057 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCO)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001014722347 657379281 /nfs/dbraw/zinc/37/92/81/657379281.db2.gz MFZWHKWKAOFHSG-RYUDHWBXSA-N 2 1 278.356 -0.057 20 0 CBADMP C[NH+](C)CCn1nccc1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000913170890 657391273 /nfs/dbraw/zinc/39/12/73/657391273.db2.gz BOZMGTPLOGBVOX-GFCCVEGCSA-N 2 1 295.387 -0.759 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000913178992 657395269 /nfs/dbraw/zinc/39/52/69/657395269.db2.gz LLQYNEZETUZHSI-GUTXKFCHSA-N 2 1 297.399 -0.530 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000913178992 657395276 /nfs/dbraw/zinc/39/52/76/657395276.db2.gz LLQYNEZETUZHSI-GUTXKFCHSA-N 2 1 297.399 -0.530 20 0 CBADMP O=C(NC[C@@]1(CO)COCC[NH2+]1)c1ccc2c[nH+]cn2c1 ZINC000913181408 657397777 /nfs/dbraw/zinc/39/77/77/657397777.db2.gz JPALHDFFPIMMSQ-CQSZACIVSA-N 2 1 290.323 -0.585 20 0 CBADMP O=C(NC[C@@]1(CO)COCC[NH2+]1)C1CC[NH+](C2CC2)CC1 ZINC000913185791 657410407 /nfs/dbraw/zinc/41/04/07/657410407.db2.gz QYPHLNLDECQNJR-OAHLLOKOSA-N 2 1 297.399 -0.672 20 0 CBADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913190820 657419720 /nfs/dbraw/zinc/41/97/20/657419720.db2.gz NBUGHORPXYLQNU-GXTWGEPZSA-N 2 1 285.388 -0.672 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913190820 657419726 /nfs/dbraw/zinc/41/97/26/657419726.db2.gz NBUGHORPXYLQNU-GXTWGEPZSA-N 2 1 285.388 -0.672 20 0 CBADMP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913195852 657425592 /nfs/dbraw/zinc/42/55/92/657425592.db2.gz HOYAFXZMZNIALX-DZGCQCFKSA-N 2 1 299.415 -0.425 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913195852 657425599 /nfs/dbraw/zinc/42/55/99/657425599.db2.gz HOYAFXZMZNIALX-DZGCQCFKSA-N 2 1 299.415 -0.425 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001015322554 657432264 /nfs/dbraw/zinc/43/22/64/657432264.db2.gz CRIGDYYAARQIJZ-ICRTXTNUSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(N[C@@H]1CC[NH+](CCO)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001015322554 657432269 /nfs/dbraw/zinc/43/22/69/657432269.db2.gz CRIGDYYAARQIJZ-ICRTXTNUSA-N 2 1 295.383 -0.968 20 0 CBADMP O=C(N[C@@H]1CC[NH+](CCO)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001015322554 657432273 /nfs/dbraw/zinc/43/22/73/657432273.db2.gz CRIGDYYAARQIJZ-ICRTXTNUSA-N 2 1 295.383 -0.968 20 0 CBADMP CN1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000913334581 657442165 /nfs/dbraw/zinc/44/21/65/657442165.db2.gz NXOHCGYJHBWGDO-GVXVVHGQSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000913334581 657442170 /nfs/dbraw/zinc/44/21/70/657442170.db2.gz NXOHCGYJHBWGDO-GVXVVHGQSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000913334581 657442176 /nfs/dbraw/zinc/44/21/76/657442176.db2.gz NXOHCGYJHBWGDO-GVXVVHGQSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1CCC[C@H]1CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000913334581 657442192 /nfs/dbraw/zinc/44/21/92/657442192.db2.gz NXOHCGYJHBWGDO-GVXVVHGQSA-N 2 1 255.362 -0.348 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649408 657503516 /nfs/dbraw/zinc/50/35/16/657503516.db2.gz UTFYRGSGZLACRR-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649408 657503521 /nfs/dbraw/zinc/50/35/21/657503521.db2.gz UTFYRGSGZLACRR-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015654535 657504050 /nfs/dbraw/zinc/50/40/50/657504050.db2.gz YVQJSLWBCCWULP-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015651003 657506350 /nfs/dbraw/zinc/50/63/50/657506350.db2.gz AHJYYCAQULWWEL-ZYHUDNBSSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015651003 657506356 /nfs/dbraw/zinc/50/63/56/657506356.db2.gz AHJYYCAQULWWEL-ZYHUDNBSSA-N 2 1 282.388 -0.608 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015651067 657506498 /nfs/dbraw/zinc/50/64/98/657506498.db2.gz BTYLAQSCWIEZJQ-YPMHNXCESA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015651067 657506508 /nfs/dbraw/zinc/50/65/08/657506508.db2.gz BTYLAQSCWIEZJQ-YPMHNXCESA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CCO)C1 ZINC001015705121 657524964 /nfs/dbraw/zinc/52/49/64/657524964.db2.gz IDEHYGHILOHJBA-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001015705121 657524972 /nfs/dbraw/zinc/52/49/72/657524972.db2.gz IDEHYGHILOHJBA-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001015705121 657524981 /nfs/dbraw/zinc/52/49/81/657524981.db2.gz IDEHYGHILOHJBA-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C12CC[NH+](CC1)C2 ZINC000913683997 657584555 /nfs/dbraw/zinc/58/45/55/657584555.db2.gz AZESSZSFGUKNAY-UHFFFAOYSA-N 2 1 294.399 -0.685 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000913759587 657604913 /nfs/dbraw/zinc/60/49/13/657604913.db2.gz QHPWTGFPTKIBRF-COMQUAJESA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)CC[C@H]21 ZINC000913759587 657604924 /nfs/dbraw/zinc/60/49/24/657604924.db2.gz QHPWTGFPTKIBRF-COMQUAJESA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)CC[C@H]21 ZINC000913759587 657604938 /nfs/dbraw/zinc/60/49/38/657604938.db2.gz QHPWTGFPTKIBRF-COMQUAJESA-N 2 1 281.400 -0.006 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003588 657627414 /nfs/dbraw/zinc/62/74/14/657627414.db2.gz KMFJBJLFBIXNNB-NWDGAFQWSA-N 2 1 294.399 -0.593 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003588 657627422 /nfs/dbraw/zinc/62/74/22/657627422.db2.gz KMFJBJLFBIXNNB-NWDGAFQWSA-N 2 1 294.399 -0.593 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015997877 657627572 /nfs/dbraw/zinc/62/75/72/657627572.db2.gz IMNFTPJGBZRMTP-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015997877 657627575 /nfs/dbraw/zinc/62/75/75/657627575.db2.gz IMNFTPJGBZRMTP-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015997877 657627579 /nfs/dbraw/zinc/62/75/79/657627579.db2.gz IMNFTPJGBZRMTP-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015997877 657627584 /nfs/dbraw/zinc/62/75/84/657627584.db2.gz IMNFTPJGBZRMTP-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001016004085 657629942 /nfs/dbraw/zinc/62/99/42/657629942.db2.gz VPRASZSHWNXBFX-LLVKDONJSA-N 2 1 253.346 -0.735 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001016248620 657669752 /nfs/dbraw/zinc/66/97/52/657669752.db2.gz CFCGTRKGSIRNQJ-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001016248620 657669756 /nfs/dbraw/zinc/66/97/56/657669756.db2.gz CFCGTRKGSIRNQJ-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001016248620 657669766 /nfs/dbraw/zinc/66/97/66/657669766.db2.gz CFCGTRKGSIRNQJ-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@H+]1C ZINC000917961979 657822289 /nfs/dbraw/zinc/82/22/89/657822289.db2.gz YBEHDKLMBWWOOL-FRRDWIJNSA-N 2 1 283.420 -0.376 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC[NH+]1C ZINC000917961979 657822291 /nfs/dbraw/zinc/82/22/91/657822291.db2.gz YBEHDKLMBWWOOL-FRRDWIJNSA-N 2 1 283.420 -0.376 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC[NH+]1C ZINC000917961979 657822302 /nfs/dbraw/zinc/82/23/02/657822302.db2.gz YBEHDKLMBWWOOL-FRRDWIJNSA-N 2 1 283.420 -0.376 20 0 CBADMP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001018626577 657828127 /nfs/dbraw/zinc/82/81/27/657828127.db2.gz ADHWYCYTDUBMOM-AAEUAGOBSA-N 2 1 292.387 -0.400 20 0 CBADMP CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001018665998 657837374 /nfs/dbraw/zinc/83/73/74/657837374.db2.gz YTJRLRJBQVCIBX-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001018665998 657837376 /nfs/dbraw/zinc/83/73/76/657837376.db2.gz YTJRLRJBQVCIBX-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CCN1CCO[C@H](CNC(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000919128298 657844642 /nfs/dbraw/zinc/84/46/42/657844642.db2.gz WAWNUXOQHNKLFV-VXGBXAGGSA-N 2 1 270.377 -0.290 20 0 CBADMP CCN1CCO[C@H](CNC(=O)NC[C@H]2CCN2C)C1 ZINC000919128298 657844643 /nfs/dbraw/zinc/84/46/43/657844643.db2.gz WAWNUXOQHNKLFV-VXGBXAGGSA-N 2 1 270.377 -0.290 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018938144 657854062 /nfs/dbraw/zinc/85/40/62/657854062.db2.gz BLXOXUKZFSKYBI-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001018971569 657856290 /nfs/dbraw/zinc/85/62/90/657856290.db2.gz HTRBUNFFBFXGMD-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1)[NH+](C)C ZINC001019034648 657858672 /nfs/dbraw/zinc/85/86/72/657858672.db2.gz KGTLVBPSLFQGSZ-NWDGAFQWSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1)[NH+](C)C ZINC001019033410 657859000 /nfs/dbraw/zinc/85/90/00/657859000.db2.gz MRJKCIBRXXXZSF-WDEREUQCSA-N 2 1 295.391 -0.759 20 0 CBADMP CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001019032416 657859366 /nfs/dbraw/zinc/85/93/66/657859366.db2.gz WGILLVCWWTXCCV-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001019032416 657859372 /nfs/dbraw/zinc/85/93/72/657859372.db2.gz WGILLVCWWTXCCV-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001019241675 657876080 /nfs/dbraw/zinc/87/60/80/657876080.db2.gz TYDZYZJKZFYOFZ-SDDRHHMPSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1)[NH+](C)C ZINC001019397037 657893118 /nfs/dbraw/zinc/89/31/18/657893118.db2.gz GCMOXRLAIPYQIA-RYUDHWBXSA-N 2 1 294.403 -0.154 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019652453 657926089 /nfs/dbraw/zinc/92/60/89/657926089.db2.gz MPJISPSOPRDEFT-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001019772870 657937184 /nfs/dbraw/zinc/93/71/84/657937184.db2.gz VALSGQGURFOGMX-RYUDHWBXSA-N 2 1 292.387 -0.543 20 0 CBADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1)C(N)=O ZINC001019778303 657938775 /nfs/dbraw/zinc/93/87/75/657938775.db2.gz YJFGEBZJNQSOCL-NWDGAFQWSA-N 2 1 293.371 -0.354 20 0 CBADMP CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001019800344 657944828 /nfs/dbraw/zinc/94/48/28/657944828.db2.gz GJKBCWGOWSQZBD-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001019800344 657944837 /nfs/dbraw/zinc/94/48/37/657944837.db2.gz GJKBCWGOWSQZBD-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001020026255 657986481 /nfs/dbraw/zinc/98/64/81/657986481.db2.gz MRFUCULHEOQVPX-CYDGBPFRSA-N 2 1 294.399 -0.404 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001020026183 657987013 /nfs/dbraw/zinc/98/70/13/657987013.db2.gz KCEYODRKCVUDFT-IJLUTSLNSA-N 2 1 292.387 -0.354 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001020029223 657990537 /nfs/dbraw/zinc/99/05/37/657990537.db2.gz YIASNRMYFQTLLX-FIQHERPVSA-N 2 1 255.362 -0.302 20 0 CBADMP CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001020047454 657996044 /nfs/dbraw/zinc/99/60/44/657996044.db2.gz NPNQRLUWKSDMQQ-SRVKXCTJSA-N 2 1 255.362 -0.036 20 0 CBADMP CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001020047454 657996058 /nfs/dbraw/zinc/99/60/58/657996058.db2.gz NPNQRLUWKSDMQQ-SRVKXCTJSA-N 2 1 255.362 -0.036 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCOC3)C2)C1 ZINC001020046010 657997157 /nfs/dbraw/zinc/99/71/57/657997157.db2.gz RHBQQPNASNDPMM-XDQVBPFNSA-N 2 1 297.399 -0.410 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCOC3)C2)C1 ZINC001020046010 657997168 /nfs/dbraw/zinc/99/71/68/657997168.db2.gz RHBQQPNASNDPMM-XDQVBPFNSA-N 2 1 297.399 -0.410 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020301118 658034996 /nfs/dbraw/zinc/03/49/96/658034996.db2.gz PQZHVYBWOURILT-LPWJVIDDSA-N 2 1 294.399 -0.404 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020297737 658035326 /nfs/dbraw/zinc/03/53/26/658035326.db2.gz XTDKVLJFNOWJNS-SRVKXCTJSA-N 2 1 255.362 -0.300 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001020288432 658036178 /nfs/dbraw/zinc/03/61/78/658036178.db2.gz ANVGSNPIDCSWSI-ZDEQEGDKSA-N 2 1 294.399 -0.275 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCCOCC1 ZINC000922608353 658061639 /nfs/dbraw/zinc/06/16/39/658061639.db2.gz RPBJFERJAVPQNP-GFCCVEGCSA-N 2 1 270.377 -0.288 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000922608353 658061652 /nfs/dbraw/zinc/06/16/52/658061652.db2.gz RPBJFERJAVPQNP-GFCCVEGCSA-N 2 1 270.377 -0.288 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NCC[N@H+]1CCCOCC1 ZINC000922608353 658061662 /nfs/dbraw/zinc/06/16/62/658061662.db2.gz RPBJFERJAVPQNP-GFCCVEGCSA-N 2 1 270.377 -0.288 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001020588870 658076620 /nfs/dbraw/zinc/07/66/20/658076620.db2.gz OZQFXYJTPGIYSB-CYDGBPFRSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1)C(N)=O ZINC001020591961 658078780 /nfs/dbraw/zinc/07/87/80/658078780.db2.gz XTYPKVKXJLJPPX-IJLUTSLNSA-N 2 1 296.415 -0.171 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001020719584 658084663 /nfs/dbraw/zinc/08/46/63/658084663.db2.gz MNXUATOKEDRXLT-LPWJVIDDSA-N 2 1 294.399 -0.275 20 0 CBADMP C[NH+](C)C1(CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000923004043 658130423 /nfs/dbraw/zinc/13/04/23/658130423.db2.gz ZKMUQBSODYXXEU-ZDUSSCGKSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001021043567 658133585 /nfs/dbraw/zinc/13/35/85/658133585.db2.gz CGLUCNZFXSIBJV-VLEAKVRGSA-N 2 1 268.361 -0.951 20 0 CBADMP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001021049089 658143799 /nfs/dbraw/zinc/14/37/99/658143799.db2.gz HJJZAOXJEHXOTB-IJLUTSLNSA-N 2 1 292.387 -0.198 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001021218821 658159939 /nfs/dbraw/zinc/15/99/39/658159939.db2.gz BIZGYEFWUSGXBD-WTUNAVPPSA-N 2 1 297.399 -0.579 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001021218821 658159949 /nfs/dbraw/zinc/15/99/49/658159949.db2.gz BIZGYEFWUSGXBD-WTUNAVPPSA-N 2 1 297.399 -0.579 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001021218821 658159961 /nfs/dbraw/zinc/15/99/61/658159961.db2.gz BIZGYEFWUSGXBD-WTUNAVPPSA-N 2 1 297.399 -0.579 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001021218821 658159980 /nfs/dbraw/zinc/15/99/80/658159980.db2.gz BIZGYEFWUSGXBD-WTUNAVPPSA-N 2 1 297.399 -0.579 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000923295795 658194107 /nfs/dbraw/zinc/19/41/07/658194107.db2.gz HPHFNRNUZVUQPH-OLZOCXBDSA-N 2 1 259.394 -0.358 20 0 CBADMP CCOCC[C@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000923288260 658195408 /nfs/dbraw/zinc/19/54/08/658195408.db2.gz YYVPSPVIMKENBR-ZDUSSCGKSA-N 2 1 259.394 -0.389 20 0 CBADMP CC(C)C[N@H+](CC(N)=O)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923305684 658196897 /nfs/dbraw/zinc/19/68/97/658196897.db2.gz MQASVHBGQCWGLV-LLVKDONJSA-N 2 1 255.362 -0.192 20 0 CBADMP O=C1NC[C@H]2C[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CCN12 ZINC000923314253 658201555 /nfs/dbraw/zinc/20/15/55/658201555.db2.gz FFNJKWPTHJSYDX-QWRGUYRKSA-N 2 1 266.345 -0.926 20 0 CBADMP O=C1NC[C@H]2C[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CCN12 ZINC000923314253 658201576 /nfs/dbraw/zinc/20/15/76/658201576.db2.gz FFNJKWPTHJSYDX-QWRGUYRKSA-N 2 1 266.345 -0.926 20 0 CBADMP O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309160 658202589 /nfs/dbraw/zinc/20/25/89/658202589.db2.gz SUNWDJRPLNLFCJ-OLZOCXBDSA-N 2 1 294.399 -0.146 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C ZINC000923322376 658208373 /nfs/dbraw/zinc/20/83/73/658208373.db2.gz KRGJGRANZFEFDV-RDBSUJKOSA-N 2 1 283.416 -0.248 20 0 CBADMP C[C@H](O)CN1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C ZINC000923322376 658208396 /nfs/dbraw/zinc/20/83/96/658208396.db2.gz KRGJGRANZFEFDV-RDBSUJKOSA-N 2 1 283.416 -0.248 20 0 CBADMP C[C@H](O)CN1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C ZINC000923322376 658208418 /nfs/dbraw/zinc/20/84/18/658208418.db2.gz KRGJGRANZFEFDV-RDBSUJKOSA-N 2 1 283.416 -0.248 20 0 CBADMP c1cnn(C[C@@H]2C[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CCO2)c1 ZINC000923323025 658210883 /nfs/dbraw/zinc/21/08/83/658210883.db2.gz OYKWDKIBDPZPFW-KBPBESRZSA-N 2 1 292.383 -0.038 20 0 CBADMP c1cnn(C[C@@H]2C[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CCO2)c1 ZINC000923323025 658210898 /nfs/dbraw/zinc/21/08/98/658210898.db2.gz OYKWDKIBDPZPFW-KBPBESRZSA-N 2 1 292.383 -0.038 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000923328740 658215712 /nfs/dbraw/zinc/21/57/12/658215712.db2.gz CETSYZCBGMKNCA-KBPBESRZSA-N 2 1 271.405 -0.248 20 0 CBADMP CN1CC(=O)N(CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000923331918 658215497 /nfs/dbraw/zinc/21/54/97/658215497.db2.gz PTFATKKEFGYCKF-CYBMUJFWSA-N 2 1 266.345 -0.434 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000923331918 658215521 /nfs/dbraw/zinc/21/55/21/658215521.db2.gz PTFATKKEFGYCKF-CYBMUJFWSA-N 2 1 266.345 -0.434 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000923331389 658217175 /nfs/dbraw/zinc/21/71/75/658217175.db2.gz GIAFYNZVGNJQEQ-TUAOUCFPSA-N 2 1 280.372 -0.060 20 0 CBADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H](O)COc1ccccc1F ZINC000923365526 658234157 /nfs/dbraw/zinc/23/41/57/658234157.db2.gz FRECFYWDKCNYOS-GHMZBOCLSA-N 2 1 272.320 -0.183 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H](O)COc1ccccc1F ZINC000923365526 658234173 /nfs/dbraw/zinc/23/41/73/658234173.db2.gz FRECFYWDKCNYOS-GHMZBOCLSA-N 2 1 272.320 -0.183 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000923363771 658236190 /nfs/dbraw/zinc/23/61/90/658236190.db2.gz FIRRGUBHOHRGRR-HZSPNIEDSA-N 2 1 271.405 -0.248 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000923370020 658237694 /nfs/dbraw/zinc/23/76/94/658237694.db2.gz OFXXSDUHNOWIGJ-XJFOESAGSA-N 2 1 273.421 -0.098 20 0 CBADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCN1C(=O)CN(C)C1=O ZINC000923369967 658237921 /nfs/dbraw/zinc/23/79/21/658237921.db2.gz NTEKJXNXYDCVIL-SCVCMEIPSA-N 2 1 268.361 -0.144 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000923370018 658238154 /nfs/dbraw/zinc/23/81/54/658238154.db2.gz OFXXSDUHNOWIGJ-REWJHTLYSA-N 2 1 273.421 -0.098 20 0 CBADMP COCCOC[C@H](O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000923369195 658242046 /nfs/dbraw/zinc/24/20/46/658242046.db2.gz IKDNHJUXGZAUCD-WUHRBBMRSA-N 2 1 260.378 -0.014 20 0 CBADMP COC(=O)[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C ZINC000923395021 658254292 /nfs/dbraw/zinc/25/42/92/658254292.db2.gz OPBDPEJXNWQLQC-SVNGYHJRSA-N 2 1 256.346 -0.032 20 0 CBADMP C[C@@H]1C[N@H+](CCN2CCC[C@@H]([NH2+]CCO)C2)CCO1 ZINC000923405703 658259106 /nfs/dbraw/zinc/25/91/06/658259106.db2.gz HNIKPZCLMPUKMS-ZIAGYGMSSA-N 2 1 271.405 -0.247 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2CCC[C@@H]([NH2+]CCO)C2)CCO1 ZINC000923405703 658259116 /nfs/dbraw/zinc/25/91/16/658259116.db2.gz HNIKPZCLMPUKMS-ZIAGYGMSSA-N 2 1 271.405 -0.247 20 0 CBADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000923401299 658260407 /nfs/dbraw/zinc/26/04/07/658260407.db2.gz URPFATJIIXQTRJ-OUAUKWLOSA-N 2 1 253.346 -0.439 20 0 CBADMP OCC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923399987 658262010 /nfs/dbraw/zinc/26/20/10/658262010.db2.gz VMYQMJZIVAJNLV-LBPRGKRZSA-N 2 1 279.388 -0.009 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000923408283 658263751 /nfs/dbraw/zinc/26/37/51/658263751.db2.gz FSJNDBJBWUGYEV-UONOGXRCSA-N 2 1 271.405 -0.247 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000923406665 658265615 /nfs/dbraw/zinc/26/56/15/658265615.db2.gz ZKCYWVVNCGLFKH-NEPJUHHUSA-N 2 1 297.403 -0.671 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000923406665 658265643 /nfs/dbraw/zinc/26/56/43/658265643.db2.gz ZKCYWVVNCGLFKH-NEPJUHHUSA-N 2 1 297.403 -0.671 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000923406665 658265664 /nfs/dbraw/zinc/26/56/64/658265664.db2.gz ZKCYWVVNCGLFKH-NEPJUHHUSA-N 2 1 297.403 -0.671 20 0 CBADMP CN1CC(=O)N(CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1=O ZINC000923414167 658271440 /nfs/dbraw/zinc/27/14/40/658271440.db2.gz JWLZNSWSUBWCOX-RYUDHWBXSA-N 2 1 280.372 -0.046 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1=O ZINC000923414167 658271452 /nfs/dbraw/zinc/27/14/52/658271452.db2.gz JWLZNSWSUBWCOX-RYUDHWBXSA-N 2 1 280.372 -0.046 20 0 CBADMP CC[C@H](O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923427787 658275108 /nfs/dbraw/zinc/27/51/08/658275108.db2.gz CJGBBSUODFJBJQ-NOHGZBONSA-N 2 1 256.346 -0.030 20 0 CBADMP CCN(CC(F)(F)F)C(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460833 658289994 /nfs/dbraw/zinc/28/99/94/658289994.db2.gz RWISDAVJTDMBKU-UHFFFAOYSA-N 2 1 296.337 -0.108 20 0 CBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NC(C1CC1)C1CC1 ZINC000923462882 658292225 /nfs/dbraw/zinc/29/22/25/658292225.db2.gz CVISYRFFVYFBEG-UHFFFAOYSA-N 2 1 280.416 -0.214 20 0 CBADMP C[C@H](C(=O)Nc1nccs1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462009 658293908 /nfs/dbraw/zinc/29/39/08/658293908.db2.gz ALHGGIJNYFNXAJ-SNVBAGLBSA-N 2 1 283.401 -0.035 20 0 CBADMP C[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923465630 658296636 /nfs/dbraw/zinc/29/66/36/658296636.db2.gz JPXRVGLQMCGCIF-ZDUSSCGKSA-N 2 1 268.405 -0.118 20 0 CBADMP CC(C)(C)NC(=O)NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923466421 658297756 /nfs/dbraw/zinc/29/77/56/658297756.db2.gz NBTQNHBQSRETIV-UHFFFAOYSA-N 2 1 285.392 -0.895 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000923482287 658301960 /nfs/dbraw/zinc/30/19/60/658301960.db2.gz YGNCOEYFXMMMDC-RYUDHWBXSA-N 2 1 283.372 -0.179 20 0 CBADMP COCCCS(=O)(=O)NCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480887 658302270 /nfs/dbraw/zinc/30/22/70/658302270.db2.gz CHYUWUAYOMQRBU-LBPRGKRZSA-N 2 1 293.433 -0.387 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@H]1C[NH3+] ZINC000923498674 658306814 /nfs/dbraw/zinc/30/68/14/658306814.db2.gz KPQDLGLSPCQNLY-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H]1C[N@H+](Cc2nc(N)nc(N(C)C)n2)CC[C@@H]1C[NH3+] ZINC000923496187 658306961 /nfs/dbraw/zinc/30/69/61/658306961.db2.gz GNXRCNULPFDWCA-NXEZZACHSA-N 2 1 279.392 -0.064 20 0 CBADMP C[C@@H]1C[N@@H+](Cc2nc(N)nc(N(C)C)n2)CC[C@@H]1C[NH3+] ZINC000923496187 658306974 /nfs/dbraw/zinc/30/69/74/658306974.db2.gz GNXRCNULPFDWCA-NXEZZACHSA-N 2 1 279.392 -0.064 20 0 CBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC000923493120 658308096 /nfs/dbraw/zinc/30/80/96/658308096.db2.gz RIQXVMVFYLAAKY-KBPBESRZSA-N 2 1 296.415 -0.216 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497065 658308919 /nfs/dbraw/zinc/30/89/19/658308919.db2.gz KQBYJMGXVDBNTJ-RYUDHWBXSA-N 2 1 285.388 -0.075 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500598 658309794 /nfs/dbraw/zinc/30/97/94/658309794.db2.gz WCWBBHPVMHKWMS-WDEREUQCSA-N 2 1 271.361 -0.418 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)C(=O)N(C)C ZINC000923500983 658310242 /nfs/dbraw/zinc/31/02/42/658310242.db2.gz SWDOKLXOGPFPSO-SRVKXCTJSA-N 2 1 284.404 -0.504 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502931 658310673 /nfs/dbraw/zinc/31/06/73/658310673.db2.gz FCULKTXZZHEACX-KXUCPTDWSA-N 2 1 256.350 -0.253 20 0 CBADMP O=C(CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000923519363 658313065 /nfs/dbraw/zinc/31/30/65/658313065.db2.gz RGMMNJPUXURLAR-QWHCGFSZSA-N 2 1 267.373 -0.223 20 0 CBADMP Cn1c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(=O)n(C)c1=O ZINC000923518810 658313230 /nfs/dbraw/zinc/31/32/30/658313230.db2.gz OIZSAOKPYBDZBW-WDEREUQCSA-N 2 1 278.356 -0.875 20 0 CBADMP Cn1c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(=O)n(C)c1=O ZINC000923518810 658313239 /nfs/dbraw/zinc/31/32/39/658313239.db2.gz OIZSAOKPYBDZBW-WDEREUQCSA-N 2 1 278.356 -0.875 20 0 CBADMP COC[C@H]1COCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000923556954 658321192 /nfs/dbraw/zinc/32/11/92/658321192.db2.gz HLABSQICFIUHKM-NWDGAFQWSA-N 2 1 256.346 -0.145 20 0 CBADMP COC[C@H]1COCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000923556954 658321200 /nfs/dbraw/zinc/32/12/00/658321200.db2.gz HLABSQICFIUHKM-NWDGAFQWSA-N 2 1 256.346 -0.145 20 0 CBADMP COC[C@@H]1COCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923557641 658325951 /nfs/dbraw/zinc/32/59/51/658325951.db2.gz MGZKPGQTJGMAQL-NEPJUHHUSA-N 2 1 256.346 -0.288 20 0 CBADMP COC[C@@H]1COCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923557641 658325966 /nfs/dbraw/zinc/32/59/66/658325966.db2.gz MGZKPGQTJGMAQL-NEPJUHHUSA-N 2 1 256.346 -0.288 20 0 CBADMP C[C@@H]1C[C@H](NS(=O)(=O)N2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000923627252 658360913 /nfs/dbraw/zinc/36/09/13/658360913.db2.gz YXXIMZKEETZNAW-MNOVXSKESA-N 2 1 288.417 -0.649 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923630364 658365096 /nfs/dbraw/zinc/36/50/96/658365096.db2.gz XCWIYMLFLSZXKK-JQWIXIFHSA-N 2 1 273.402 -0.296 20 0 CBADMP C[NH+](C)C[C@@H]1NC(=O)N(C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1=O ZINC000924561214 658615127 /nfs/dbraw/zinc/61/51/27/658615127.db2.gz SDSJIIFKHBMYOO-SRVKXCTJSA-N 2 1 296.371 -0.668 20 0 CBADMP CC1(C)CNC(=O)[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000924966723 658672455 /nfs/dbraw/zinc/67/24/55/658672455.db2.gz UILHZXWVSHNGRA-NEPJUHHUSA-N 2 1 296.415 -0.312 20 0 CBADMP CC1(C)CNC(=O)[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000924966723 658672468 /nfs/dbraw/zinc/67/24/68/658672468.db2.gz UILHZXWVSHNGRA-NEPJUHHUSA-N 2 1 296.415 -0.312 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2C)cn1 ZINC000924978038 658684647 /nfs/dbraw/zinc/68/46/47/658684647.db2.gz HXESJMZLEIDTNM-STQMWFEESA-N 2 1 295.387 -0.761 20 0 CBADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2C)cn1 ZINC000924981397 658690040 /nfs/dbraw/zinc/69/00/40/658690040.db2.gz NCZJAKMQTDNLQB-ZIAGYGMSSA-N 2 1 292.383 -0.062 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1C)CC2 ZINC000924982698 658693820 /nfs/dbraw/zinc/69/38/20/658693820.db2.gz XNORAIBDYXCGEX-MRVWCRGKSA-N 2 1 292.383 -0.065 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C)CC2 ZINC000924982698 658693830 /nfs/dbraw/zinc/69/38/30/658693830.db2.gz XNORAIBDYXCGEX-MRVWCRGKSA-N 2 1 292.383 -0.065 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000924996205 658708299 /nfs/dbraw/zinc/70/82/99/658708299.db2.gz QDLASXDUSHIMNJ-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP CN1CC[N@H+](C)C[C@H]1CN[C@@H]1C[NH+]2C[C@@H]1CCC2 ZINC000925028367 658801774 /nfs/dbraw/zinc/80/17/74/658801774.db2.gz AQHCRKSKUMIMQF-BFHYXJOUSA-N 2 1 252.406 -0.084 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CN[C@@H]1C[NH+]2C[C@@H]1CCC2 ZINC000925028367 658801779 /nfs/dbraw/zinc/80/17/79/658801779.db2.gz AQHCRKSKUMIMQF-BFHYXJOUSA-N 2 1 252.406 -0.084 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CN[C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925028367 658801784 /nfs/dbraw/zinc/80/17/84/658801784.db2.gz AQHCRKSKUMIMQF-BFHYXJOUSA-N 2 1 252.406 -0.084 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CN[C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000925028367 658801787 /nfs/dbraw/zinc/80/17/87/658801787.db2.gz AQHCRKSKUMIMQF-BFHYXJOUSA-N 2 1 252.406 -0.084 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)c1ccc2c[nH+]cn2c1 ZINC000961184975 658817335 /nfs/dbraw/zinc/81/73/35/658817335.db2.gz NAGSBZRJVSKFBV-WDNDVIMCSA-N 2 1 286.335 -0.013 20 0 CBADMP CC[N@H+]1CCC[C@@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925300524 658819680 /nfs/dbraw/zinc/81/96/80/658819680.db2.gz WLVMMYHFEMBXSL-GHMZBOCLSA-N 2 1 268.361 -0.047 20 0 CBADMP CC[N@H+]1CCC[C@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925300529 658819515 /nfs/dbraw/zinc/81/95/15/658819515.db2.gz WLVMMYHFEMBXSL-WDEREUQCSA-N 2 1 268.361 -0.047 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)CC[N@@H+]1C ZINC000961595971 658826381 /nfs/dbraw/zinc/82/63/81/658826381.db2.gz IMHWFASLIAPPJF-ZXPJVPCYSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)CC[N@H+]1C ZINC000961595971 658826382 /nfs/dbraw/zinc/82/63/82/658826382.db2.gz IMHWFASLIAPPJF-ZXPJVPCYSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC[NH+]1C ZINC000961595971 658826384 /nfs/dbraw/zinc/82/63/84/658826384.db2.gz IMHWFASLIAPPJF-ZXPJVPCYSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC[NH+]1C ZINC000961595971 658826387 /nfs/dbraw/zinc/82/63/87/658826387.db2.gz IMHWFASLIAPPJF-ZXPJVPCYSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000925341780 658830798 /nfs/dbraw/zinc/83/07/98/658830798.db2.gz JPFLLQRZCGKEOZ-YVECIDJPSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000925341780 658830801 /nfs/dbraw/zinc/83/08/01/658830801.db2.gz JPFLLQRZCGKEOZ-YVECIDJPSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000925341780 658830804 /nfs/dbraw/zinc/83/08/04/658830804.db2.gz JPFLLQRZCGKEOZ-YVECIDJPSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000925346774 658833183 /nfs/dbraw/zinc/83/31/83/658833183.db2.gz VTQBGVDFIAZQQN-TUAOUCFPSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@H]1[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000925346774 658833184 /nfs/dbraw/zinc/83/31/84/658833184.db2.gz VTQBGVDFIAZQQN-TUAOUCFPSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@H]1[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000925346774 658833185 /nfs/dbraw/zinc/83/31/85/658833185.db2.gz VTQBGVDFIAZQQN-TUAOUCFPSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000961765682 658833164 /nfs/dbraw/zinc/83/31/64/658833164.db2.gz RITJPAHYDIOTDB-CIQGVGRVSA-N 2 1 267.373 -0.633 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000961765682 658833168 /nfs/dbraw/zinc/83/31/68/658833168.db2.gz RITJPAHYDIOTDB-CIQGVGRVSA-N 2 1 267.373 -0.633 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000961765682 658833171 /nfs/dbraw/zinc/83/31/71/658833171.db2.gz RITJPAHYDIOTDB-CIQGVGRVSA-N 2 1 267.373 -0.633 20 0 CBADMP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C)CCO1 ZINC000925405356 658838692 /nfs/dbraw/zinc/83/86/92/658838692.db2.gz FWGVVLRSUXKEJJ-VXGBXAGGSA-N 2 1 270.377 -0.338 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000925409329 658839205 /nfs/dbraw/zinc/83/92/05/658839205.db2.gz FJRISLHCHPMOMJ-NSHDSACASA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CC[N@H+]1C ZINC000925410795 658839308 /nfs/dbraw/zinc/83/93/08/658839308.db2.gz UJFGZDGYYLHEQA-ZYHUDNBSSA-N 2 1 258.366 -0.698 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@@H](O)C1 ZINC000925425120 658847703 /nfs/dbraw/zinc/84/77/03/658847703.db2.gz DFGRGQLTNFXVJO-DGAVXFQQSA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000925425120 658847709 /nfs/dbraw/zinc/84/77/09/658847709.db2.gz DFGRGQLTNFXVJO-DGAVXFQQSA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000925425120 658847710 /nfs/dbraw/zinc/84/77/10/658847710.db2.gz DFGRGQLTNFXVJO-DGAVXFQQSA-N 2 1 296.415 -0.023 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@H](O)C1 ZINC000925425123 658848203 /nfs/dbraw/zinc/84/82/03/658848203.db2.gz DFGRGQLTNFXVJO-RQJABVFESA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000925425123 658848209 /nfs/dbraw/zinc/84/82/09/658848209.db2.gz DFGRGQLTNFXVJO-RQJABVFESA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000925425123 658848210 /nfs/dbraw/zinc/84/82/10/658848210.db2.gz DFGRGQLTNFXVJO-RQJABVFESA-N 2 1 296.415 -0.023 20 0 CBADMP CN(C)S(=O)(=O)C1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000925776319 658870943 /nfs/dbraw/zinc/87/09/43/658870943.db2.gz WUBHUTJRSZADOQ-UWVGGRQHSA-N 2 1 261.391 -0.120 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000925429624 658850133 /nfs/dbraw/zinc/85/01/33/658850133.db2.gz PAKGPLYFHYWQJY-GHMZBOCLSA-N 2 1 256.350 -0.944 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000925429624 658850137 /nfs/dbraw/zinc/85/01/37/658850137.db2.gz PAKGPLYFHYWQJY-GHMZBOCLSA-N 2 1 256.350 -0.944 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000925429624 658850138 /nfs/dbraw/zinc/85/01/38/658850138.db2.gz PAKGPLYFHYWQJY-GHMZBOCLSA-N 2 1 256.350 -0.944 20 0 CBADMP CCO[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)C[NH+](C)C ZINC000925431138 658851089 /nfs/dbraw/zinc/85/10/89/658851089.db2.gz COOHIFXVRCSFSA-RYUDHWBXSA-N 2 1 272.393 -0.044 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962552169 658856946 /nfs/dbraw/zinc/85/69/46/658856946.db2.gz CMMDBPVLBIXUKU-MEWQQHAOSA-N 2 1 280.372 -0.998 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962552169 658856948 /nfs/dbraw/zinc/85/69/48/658856948.db2.gz CMMDBPVLBIXUKU-MEWQQHAOSA-N 2 1 280.372 -0.998 20 0 CBADMP CN1CC[NH+](CCCCN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925546516 658858073 /nfs/dbraw/zinc/85/80/73/658858073.db2.gz ODPVLGHVXQJPQS-AWEZNQCLSA-N 2 1 270.421 -0.408 20 0 CBADMP CS(=O)(=O)CCOCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925571756 658860024 /nfs/dbraw/zinc/86/00/24/658860024.db2.gz IJSXUGPKOVEVPE-NWBUJAPZSA-N 2 1 288.413 -0.366 20 0 CBADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CNCCOC1 ZINC000925609848 658861719 /nfs/dbraw/zinc/86/17/19/658861719.db2.gz WMRBJNVJLOLOQY-KGLIPLIRSA-N 2 1 271.405 -0.199 20 0 CBADMP OC[C@@H]1CCC[N@@H+]1CCCCN[C@@H]1C[NH2+]CCOC1 ZINC000925609848 658861721 /nfs/dbraw/zinc/86/17/21/658861721.db2.gz WMRBJNVJLOLOQY-KGLIPLIRSA-N 2 1 271.405 -0.199 20 0 CBADMP OC[C@@H]1CCC[N@H+]1CCCCN[C@@H]1C[NH2+]CCOC1 ZINC000925609848 658861728 /nfs/dbraw/zinc/86/17/28/658861728.db2.gz WMRBJNVJLOLOQY-KGLIPLIRSA-N 2 1 271.405 -0.199 20 0 CBADMP C[C@H]1[NH2+]CCC[C@@H]1NCC(=O)N1CC[NH+](C)CC1 ZINC000925617066 658862097 /nfs/dbraw/zinc/86/20/97/658862097.db2.gz PQXPONVXTMHPLN-NEPJUHHUSA-N 2 1 254.378 -0.510 20 0 CBADMP CN1CCC[N@@H+](CCCN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925608831 658862229 /nfs/dbraw/zinc/86/22/29/658862229.db2.gz KNFFGWWULBLZLE-AWEZNQCLSA-N 2 1 270.421 -0.408 20 0 CBADMP C[N@@H+]1CCCN(CCCN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925608831 658862232 /nfs/dbraw/zinc/86/22/32/658862232.db2.gz KNFFGWWULBLZLE-AWEZNQCLSA-N 2 1 270.421 -0.408 20 0 CBADMP C[N@H+]1CCCN(CCCN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925608831 658862236 /nfs/dbraw/zinc/86/22/36/658862236.db2.gz KNFFGWWULBLZLE-AWEZNQCLSA-N 2 1 270.421 -0.408 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1NCC(=O)N1CC[NH+](C)CC1 ZINC000925617067 658862685 /nfs/dbraw/zinc/86/26/85/658862685.db2.gz PQXPONVXTMHPLN-NWDGAFQWSA-N 2 1 254.378 -0.510 20 0 CBADMP CC[NH+](CC)CCOCC[NH2+][C@H]1CNCCOC1 ZINC000925647665 658863307 /nfs/dbraw/zinc/86/33/07/658863307.db2.gz DYQCWCWESQZWOJ-ZDUSSCGKSA-N 2 1 259.394 -0.077 20 0 CBADMP CN1CCN(C(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925619010 658863758 /nfs/dbraw/zinc/86/37/58/658863758.db2.gz ZHXXBWXJPPHAFC-VXGBXAGGSA-N 2 1 266.389 -0.380 20 0 CBADMP C(CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)CN1CC[NH2+]CC1 ZINC000925689685 658865464 /nfs/dbraw/zinc/86/54/64/658865464.db2.gz HWXWQWVDTNDPGU-XPABHHOTSA-N 2 1 264.417 -0.132 20 0 CBADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000925688784 658865988 /nfs/dbraw/zinc/86/59/88/658865988.db2.gz FQCQCPNLMWMGCT-MNOVXSKESA-N 2 1 280.376 -0.113 20 0 CBADMP OCC[N@H+]1CCCC[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925681163 658866042 /nfs/dbraw/zinc/86/60/42/658866042.db2.gz SYRBXSNTMJYPLM-QWHCGFSZSA-N 2 1 257.378 -0.589 20 0 CBADMP CN(C)S(=O)(=O)C1(C[NH2+]C2CC[NH2+]CC2)CC1 ZINC000925773608 658870614 /nfs/dbraw/zinc/87/06/14/658870614.db2.gz FCNGZWVYYXHSBI-UHFFFAOYSA-N 2 1 261.391 -0.248 20 0 CBADMP C[C@H](N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1C[NH2+]C1 ZINC000925771419 658871128 /nfs/dbraw/zinc/87/11/28/658871128.db2.gz YBNGRWSRIPDJER-GOEBONIOSA-N 2 1 296.459 -0.020 20 0 CBADMP C[C@H](N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1C[NH2+]C1 ZINC000925771419 658871130 /nfs/dbraw/zinc/87/11/30/658871130.db2.gz YBNGRWSRIPDJER-GOEBONIOSA-N 2 1 296.459 -0.020 20 0 CBADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000926171828 658888214 /nfs/dbraw/zinc/88/82/14/658888214.db2.gz AUXOKELJUHNCNK-OLZOCXBDSA-N 2 1 270.373 -0.019 20 0 CBADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000926171828 658888215 /nfs/dbraw/zinc/88/82/15/658888215.db2.gz AUXOKELJUHNCNK-OLZOCXBDSA-N 2 1 270.373 -0.019 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000926352874 658896133 /nfs/dbraw/zinc/89/61/33/658896133.db2.gz QEMWFRRVUFQKRK-JHJVBQTASA-N 2 1 296.415 -0.408 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926359583 658896949 /nfs/dbraw/zinc/89/69/49/658896949.db2.gz JCWPRHIYKJYDMW-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000926442623 658900244 /nfs/dbraw/zinc/90/02/44/658900244.db2.gz IMGIIZQPZVHNLP-QWHCGFSZSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000926442623 658900256 /nfs/dbraw/zinc/90/02/56/658900256.db2.gz IMGIIZQPZVHNLP-QWHCGFSZSA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000926442375 658900624 /nfs/dbraw/zinc/90/06/24/658900624.db2.gz HWUFYPYRUDZJLN-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000926442375 658900634 /nfs/dbraw/zinc/90/06/34/658900634.db2.gz HWUFYPYRUDZJLN-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000926443542 658901047 /nfs/dbraw/zinc/90/10/47/658901047.db2.gz OEQGBGOLWBHIRT-CHWSQXEVSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000926443542 658901051 /nfs/dbraw/zinc/90/10/51/658901051.db2.gz OEQGBGOLWBHIRT-CHWSQXEVSA-N 2 1 298.431 -0.019 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC000969356865 658977246 /nfs/dbraw/zinc/97/72/46/658977246.db2.gz SQEPHESATNNMRV-NWDGAFQWSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC000969353853 658977399 /nfs/dbraw/zinc/97/73/99/658977399.db2.gz XNZTZMABZDZHOF-WDEREUQCSA-N 2 1 279.344 -0.744 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000969356355 658980407 /nfs/dbraw/zinc/98/04/07/658980407.db2.gz DSBARYKHXXGFNW-NEPJUHHUSA-N 2 1 291.355 -0.729 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC000969722435 659012963 /nfs/dbraw/zinc/01/29/63/659012963.db2.gz PJNYIGOSUGGDAG-SDDRHHMPSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@H+]1C ZINC000928441901 659021742 /nfs/dbraw/zinc/02/17/42/659021742.db2.gz PXQRHDWAZWZOEQ-AGIUHOORSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1C ZINC000928441901 659021747 /nfs/dbraw/zinc/02/17/47/659021747.db2.gz PXQRHDWAZWZOEQ-AGIUHOORSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC[NH+]1C ZINC000928441901 659021750 /nfs/dbraw/zinc/02/17/50/659021750.db2.gz PXQRHDWAZWZOEQ-AGIUHOORSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CCO)C1 ZINC000969944233 659024608 /nfs/dbraw/zinc/02/46/08/659024608.db2.gz KXTYXJOCLGMECE-NTZNESFSSA-N 2 1 285.388 -0.866 20 0 CBADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CCO)C1 ZINC000969944233 659024610 /nfs/dbraw/zinc/02/46/10/659024610.db2.gz KXTYXJOCLGMECE-NTZNESFSSA-N 2 1 285.388 -0.866 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000969965519 659026632 /nfs/dbraw/zinc/02/66/32/659026632.db2.gz RMVLPCXIZFIICQ-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000928555151 659039146 /nfs/dbraw/zinc/03/91/46/659039146.db2.gz LUSGGFIETCCJFD-NWDGAFQWSA-N 2 1 252.362 -0.803 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000928555151 659039155 /nfs/dbraw/zinc/03/91/55/659039155.db2.gz LUSGGFIETCCJFD-NWDGAFQWSA-N 2 1 252.362 -0.803 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000928555151 659039164 /nfs/dbraw/zinc/03/91/64/659039164.db2.gz LUSGGFIETCCJFD-NWDGAFQWSA-N 2 1 252.362 -0.803 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000928571556 659049357 /nfs/dbraw/zinc/04/93/57/659049357.db2.gz OXEKVFNJOJZIOV-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000928571556 659049366 /nfs/dbraw/zinc/04/93/66/659049366.db2.gz OXEKVFNJOJZIOV-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000928571556 659049374 /nfs/dbraw/zinc/04/93/74/659049374.db2.gz OXEKVFNJOJZIOV-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC000970712321 659067908 /nfs/dbraw/zinc/06/79/08/659067908.db2.gz MFVFTVGYIQZDAF-VXGBXAGGSA-N 2 1 292.387 -0.245 20 0 CBADMP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC000970712321 659067912 /nfs/dbraw/zinc/06/79/12/659067912.db2.gz MFVFTVGYIQZDAF-VXGBXAGGSA-N 2 1 292.387 -0.245 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000971686659 659096176 /nfs/dbraw/zinc/09/61/76/659096176.db2.gz DFZTVTWQBNBXNQ-WCQYABFASA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971686659 659096181 /nfs/dbraw/zinc/09/61/81/659096181.db2.gz DFZTVTWQBNBXNQ-WCQYABFASA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971686659 659096184 /nfs/dbraw/zinc/09/61/84/659096184.db2.gz DFZTVTWQBNBXNQ-WCQYABFASA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972552861 659120906 /nfs/dbraw/zinc/12/09/06/659120906.db2.gz UUTSDKIECSBRMO-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972552861 659120915 /nfs/dbraw/zinc/12/09/15/659120915.db2.gz UUTSDKIECSBRMO-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000929405752 659122523 /nfs/dbraw/zinc/12/25/23/659122523.db2.gz VOOMDSGAXNVATK-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000929405752 659122532 /nfs/dbraw/zinc/12/25/32/659122532.db2.gz VOOMDSGAXNVATK-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[NH+]1CCCCC1 ZINC000929609812 659151025 /nfs/dbraw/zinc/15/10/25/659151025.db2.gz XGWNCGQXDCMKLY-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)[NH+]1CCCCC1 ZINC000929609812 659151048 /nfs/dbraw/zinc/15/10/48/659151048.db2.gz XGWNCGQXDCMKLY-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[NH+]1CCCCC1 ZINC000929609813 659152058 /nfs/dbraw/zinc/15/20/58/659152058.db2.gz XGWNCGQXDCMKLY-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[NH+]1CCCCC1 ZINC000929609813 659152060 /nfs/dbraw/zinc/15/20/60/659152060.db2.gz XGWNCGQXDCMKLY-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000929627413 659152428 /nfs/dbraw/zinc/15/24/28/659152428.db2.gz IYLUPIGMVTVOIJ-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000929627413 659152435 /nfs/dbraw/zinc/15/24/35/659152435.db2.gz IYLUPIGMVTVOIJ-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000929751721 659166247 /nfs/dbraw/zinc/16/62/47/659166247.db2.gz QUWBWGPHDFKVRM-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000929751721 659166250 /nfs/dbraw/zinc/16/62/50/659166250.db2.gz QUWBWGPHDFKVRM-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000929751722 659166568 /nfs/dbraw/zinc/16/65/68/659166568.db2.gz QUWBWGPHDFKVRM-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000929751722 659166570 /nfs/dbraw/zinc/16/65/70/659166570.db2.gz QUWBWGPHDFKVRM-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000929992915 659192394 /nfs/dbraw/zinc/19/23/94/659192394.db2.gz YHGODSXLWNWSBZ-CHWSQXEVSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000929992915 659192404 /nfs/dbraw/zinc/19/24/04/659192404.db2.gz YHGODSXLWNWSBZ-CHWSQXEVSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000929992915 659192411 /nfs/dbraw/zinc/19/24/11/659192411.db2.gz YHGODSXLWNWSBZ-CHWSQXEVSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000929992915 659192424 /nfs/dbraw/zinc/19/24/24/659192424.db2.gz YHGODSXLWNWSBZ-CHWSQXEVSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)C1CCCC1 ZINC000929996617 659193439 /nfs/dbraw/zinc/19/34/39/659193439.db2.gz MEGBDFNJDACLOH-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)C1CCCC1 ZINC000929996617 659193442 /nfs/dbraw/zinc/19/34/42/659193442.db2.gz MEGBDFNJDACLOH-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)C1CCCC1 ZINC000929996617 659193446 /nfs/dbraw/zinc/19/34/46/659193446.db2.gz MEGBDFNJDACLOH-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C1CCCC1 ZINC000929996617 659193452 /nfs/dbraw/zinc/19/34/52/659193452.db2.gz MEGBDFNJDACLOH-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)CO)CC2)CC1 ZINC000930044884 659200146 /nfs/dbraw/zinc/20/01/46/659200146.db2.gz KRDZTRPLHPQMMF-HNNXBMFYSA-N 2 1 285.432 -0.170 20 0 CBADMP O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC000978201585 659213743 /nfs/dbraw/zinc/21/37/43/659213743.db2.gz SJQTYNFABRTSLF-TUVASFSCSA-N 2 1 293.411 -0.386 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)O1 ZINC000978356882 659216455 /nfs/dbraw/zinc/21/64/55/659216455.db2.gz PODASDJWKYGZGX-XGFWRYKXSA-N 2 1 299.390 -0.031 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)O1 ZINC000978356882 659216464 /nfs/dbraw/zinc/21/64/64/659216464.db2.gz PODASDJWKYGZGX-XGFWRYKXSA-N 2 1 299.390 -0.031 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)O1 ZINC000978356882 659216478 /nfs/dbraw/zinc/21/64/78/659216478.db2.gz PODASDJWKYGZGX-XGFWRYKXSA-N 2 1 299.390 -0.031 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)O1 ZINC000978356882 659216488 /nfs/dbraw/zinc/21/64/88/659216488.db2.gz PODASDJWKYGZGX-XGFWRYKXSA-N 2 1 299.390 -0.031 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978961575 659234594 /nfs/dbraw/zinc/23/45/94/659234594.db2.gz OCZMZEUIGQQOTC-SYQHCUMBSA-N 2 1 293.411 -0.243 20 0 CBADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000930205464 659234906 /nfs/dbraw/zinc/23/49/06/659234906.db2.gz CPFJEQFHQATULR-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000930205464 659234914 /nfs/dbraw/zinc/23/49/14/659234914.db2.gz CPFJEQFHQATULR-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000980412473 659270215 /nfs/dbraw/zinc/27/02/15/659270215.db2.gz KGYZJLTYWFCTKG-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP C[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980833820 659292785 /nfs/dbraw/zinc/29/27/85/659292785.db2.gz KVVFMBNMPVGQNN-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000980833820 659292797 /nfs/dbraw/zinc/29/27/97/659292797.db2.gz KVVFMBNMPVGQNN-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000980833820 659292813 /nfs/dbraw/zinc/29/28/13/659292813.db2.gz KVVFMBNMPVGQNN-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000980893885 659298341 /nfs/dbraw/zinc/29/83/41/659298341.db2.gz QNEAFWXMAVGKTM-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP C[C@@H](O)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C[C@@H](C)O ZINC000930533758 659302693 /nfs/dbraw/zinc/30/26/93/659302693.db2.gz SPDHNXVYSWKHNO-QJPTWQEYSA-N 2 1 275.393 -0.884 20 0 CBADMP C[C@@H](O)C[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)C[C@@H](C)O ZINC000930533758 659302696 /nfs/dbraw/zinc/30/26/96/659302696.db2.gz SPDHNXVYSWKHNO-QJPTWQEYSA-N 2 1 275.393 -0.884 20 0 CBADMP C[C@@H](O)C[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000930533758 659302704 /nfs/dbraw/zinc/30/27/04/659302704.db2.gz SPDHNXVYSWKHNO-QJPTWQEYSA-N 2 1 275.393 -0.884 20 0 CBADMP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000930934302 659364885 /nfs/dbraw/zinc/36/48/85/659364885.db2.gz XNGOYANFSKPRQE-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000930934302 659364892 /nfs/dbraw/zinc/36/48/92/659364892.db2.gz XNGOYANFSKPRQE-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000930934302 659364899 /nfs/dbraw/zinc/36/48/99/659364899.db2.gz XNGOYANFSKPRQE-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000930934302 659364906 /nfs/dbraw/zinc/36/49/06/659364906.db2.gz XNGOYANFSKPRQE-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931307945 659428412 /nfs/dbraw/zinc/42/84/12/659428412.db2.gz QDNUZXTYOJWBHM-GJZGRUSLSA-N 2 1 297.399 -0.061 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CCO)[C@@H]1C ZINC000986576207 659459450 /nfs/dbraw/zinc/45/94/50/659459450.db2.gz RVFWKSOEOUXYMH-NWDGAFQWSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H]1C ZINC000986572405 659459463 /nfs/dbraw/zinc/45/94/63/659459463.db2.gz IYLMYMMBPGJBPJ-MNOVXSKESA-N 2 1 279.344 -0.744 20 0 CBADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)C[C@]3(O)CCOC3)CC[C@H]21 ZINC000931545844 659485318 /nfs/dbraw/zinc/48/53/18/659485318.db2.gz HHZCPTVMKYPLJW-KBUPBQIOSA-N 2 1 284.400 -0.085 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)C[C@]3(O)CCOC3)CC[C@H]21 ZINC000931545844 659485322 /nfs/dbraw/zinc/48/53/22/659485322.db2.gz HHZCPTVMKYPLJW-KBUPBQIOSA-N 2 1 284.400 -0.085 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)C[C@]3(O)CCOC3)CC[C@H]21 ZINC000931545844 659485325 /nfs/dbraw/zinc/48/53/25/659485325.db2.gz HHZCPTVMKYPLJW-KBUPBQIOSA-N 2 1 284.400 -0.085 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)C[C@]3(O)CCOC3)CC[C@H]21 ZINC000931545844 659485332 /nfs/dbraw/zinc/48/53/32/659485332.db2.gz HHZCPTVMKYPLJW-KBUPBQIOSA-N 2 1 284.400 -0.085 20 0 CBADMP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000987188756 659494934 /nfs/dbraw/zinc/49/49/34/659494934.db2.gz BEQWFVXRNYPVFB-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC000987515625 659510412 /nfs/dbraw/zinc/51/04/12/659510412.db2.gz BVIVOHVHTOYESC-JQWIXIFHSA-N 2 1 266.345 -0.237 20 0 CBADMP C[C@H]1C[N@@H+](C[C@H](O)CO)CCN1c1cc[nH+]cc1 ZINC000931683445 659511044 /nfs/dbraw/zinc/51/10/44/659511044.db2.gz IPJMXNBENCQRCH-AAEUAGOBSA-N 2 1 251.330 -0.055 20 0 CBADMP CN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000931874745 659536504 /nfs/dbraw/zinc/53/65/04/659536504.db2.gz POTKUUYAXZGFDH-CHWSQXEVSA-N 2 1 294.399 -0.498 20 0 CBADMP CN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000931874745 659536508 /nfs/dbraw/zinc/53/65/08/659536508.db2.gz POTKUUYAXZGFDH-CHWSQXEVSA-N 2 1 294.399 -0.498 20 0 CBADMP CN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000931874745 659536514 /nfs/dbraw/zinc/53/65/14/659536514.db2.gz POTKUUYAXZGFDH-CHWSQXEVSA-N 2 1 294.399 -0.498 20 0 CBADMP CN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000931874745 659536522 /nfs/dbraw/zinc/53/65/22/659536522.db2.gz POTKUUYAXZGFDH-CHWSQXEVSA-N 2 1 294.399 -0.498 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000931874619 659537110 /nfs/dbraw/zinc/53/71/10/659537110.db2.gz JGVGGMDAQURHGG-OLZOCXBDSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000931874619 659537116 /nfs/dbraw/zinc/53/71/16/659537116.db2.gz JGVGGMDAQURHGG-OLZOCXBDSA-N 2 1 294.399 -0.497 20 0 CBADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931874888 659537154 /nfs/dbraw/zinc/53/71/54/659537154.db2.gz MEPOZBOPAWJFEC-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931874888 659537159 /nfs/dbraw/zinc/53/71/59/659537159.db2.gz MEPOZBOPAWJFEC-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931874888 659537160 /nfs/dbraw/zinc/53/71/60/659537160.db2.gz MEPOZBOPAWJFEC-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931874888 659537165 /nfs/dbraw/zinc/53/71/65/659537165.db2.gz MEPOZBOPAWJFEC-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931882657 659544064 /nfs/dbraw/zinc/54/40/64/659544064.db2.gz PDWFFUFVOLURHU-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931882657 659544070 /nfs/dbraw/zinc/54/40/70/659544070.db2.gz PDWFFUFVOLURHU-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931884496 659550081 /nfs/dbraw/zinc/55/00/81/659550081.db2.gz HVQRSNFMOMUART-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931884496 659550087 /nfs/dbraw/zinc/55/00/87/659550087.db2.gz HVQRSNFMOMUART-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000931886528 659552282 /nfs/dbraw/zinc/55/22/82/659552282.db2.gz OYSCWBOCFOBGGT-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000931886528 659552289 /nfs/dbraw/zinc/55/22/89/659552289.db2.gz OYSCWBOCFOBGGT-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000931886528 659552298 /nfs/dbraw/zinc/55/22/98/659552298.db2.gz OYSCWBOCFOBGGT-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000931886528 659552308 /nfs/dbraw/zinc/55/23/08/659552308.db2.gz OYSCWBOCFOBGGT-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931886750 659554034 /nfs/dbraw/zinc/55/40/34/659554034.db2.gz PNMUEKGJPSESFU-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931886750 659554044 /nfs/dbraw/zinc/55/40/44/659554044.db2.gz PNMUEKGJPSESFU-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931886750 659554052 /nfs/dbraw/zinc/55/40/52/659554052.db2.gz PNMUEKGJPSESFU-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931886750 659554061 /nfs/dbraw/zinc/55/40/61/659554061.db2.gz PNMUEKGJPSESFU-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP CCCN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@@H]1CC[N@H+](C)C1 ZINC000931887864 659555804 /nfs/dbraw/zinc/55/58/04/659555804.db2.gz XZDNXOFLRFJGBZ-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCCN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@@H]1CC[N@@H+](C)C1 ZINC000931887864 659555808 /nfs/dbraw/zinc/55/58/08/659555808.db2.gz XZDNXOFLRFJGBZ-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCCN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000931887864 659555813 /nfs/dbraw/zinc/55/58/13/659555813.db2.gz XZDNXOFLRFJGBZ-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCCN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000931887864 659555817 /nfs/dbraw/zinc/55/58/17/659555817.db2.gz XZDNXOFLRFJGBZ-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000931890771 659557102 /nfs/dbraw/zinc/55/71/02/659557102.db2.gz WPLOSBCYZVIVPV-YWPYICTPSA-N 2 1 294.399 -0.783 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000931890771 659557117 /nfs/dbraw/zinc/55/71/17/659557117.db2.gz WPLOSBCYZVIVPV-YWPYICTPSA-N 2 1 294.399 -0.783 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000931890771 659557127 /nfs/dbraw/zinc/55/71/27/659557127.db2.gz WPLOSBCYZVIVPV-YWPYICTPSA-N 2 1 294.399 -0.783 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000931890771 659557135 /nfs/dbraw/zinc/55/71/35/659557135.db2.gz WPLOSBCYZVIVPV-YWPYICTPSA-N 2 1 294.399 -0.783 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C3OCCO3)C2)CC1 ZINC000932000074 659563023 /nfs/dbraw/zinc/56/30/23/659563023.db2.gz ZVFASMZMWVUPAD-LBPRGKRZSA-N 2 1 297.399 -0.108 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](C3OCCO3)C2)CC1 ZINC000932002596 659563457 /nfs/dbraw/zinc/56/34/57/659563457.db2.gz YITYNONWXRNZMD-CYBMUJFWSA-N 2 1 297.399 -0.155 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](C3OCCO3)C2)CC1 ZINC000932002596 659563471 /nfs/dbraw/zinc/56/34/71/659563471.db2.gz YITYNONWXRNZMD-CYBMUJFWSA-N 2 1 297.399 -0.155 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC000989177076 659574168 /nfs/dbraw/zinc/57/41/68/659574168.db2.gz MBSJGUROOJKOIG-ONGXEEELSA-N 2 1 279.344 -0.744 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000932126335 659581070 /nfs/dbraw/zinc/58/10/70/659581070.db2.gz KLOWIZLYXLOALH-CYBMUJFWSA-N 2 1 299.415 -0.378 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC000932262123 659589458 /nfs/dbraw/zinc/58/94/58/659589458.db2.gz MGBFWAQIUINSNA-CYBMUJFWSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)CC[NH+]1CCOCC1 ZINC000989557753 659593174 /nfs/dbraw/zinc/59/31/74/659593174.db2.gz JBFQJHOYWOLCMK-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)CC[NH+]1CCOCC1 ZINC000989557757 659593368 /nfs/dbraw/zinc/59/33/68/659593368.db2.gz JBFQJHOYWOLCMK-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)CC[NH+]1CCOCC1 ZINC000989557755 659593915 /nfs/dbraw/zinc/59/39/15/659593915.db2.gz JBFQJHOYWOLCMK-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[N@@H+](CCO)CC1 ZINC000989671160 659606729 /nfs/dbraw/zinc/60/67/29/659606729.db2.gz VCRKEMLKNDNZFV-AWEZNQCLSA-N 2 1 299.415 -0.519 20 0 CBADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932949167 659646864 /nfs/dbraw/zinc/64/68/64/659646864.db2.gz VQAOUQLZNXZVLN-LLVKDONJSA-N 2 1 272.374 -0.198 20 0 CBADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932949167 659646871 /nfs/dbraw/zinc/64/68/71/659646871.db2.gz VQAOUQLZNXZVLN-LLVKDONJSA-N 2 1 272.374 -0.198 20 0 CBADMP CC[C@@H]1C(=O)NCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000933215707 659692270 /nfs/dbraw/zinc/69/22/70/659692270.db2.gz AOTGRLFPYYPOPM-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[C@@H]1C(=O)NCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000933215707 659692276 /nfs/dbraw/zinc/69/22/76/659692276.db2.gz AOTGRLFPYYPOPM-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000990276327 659710697 /nfs/dbraw/zinc/71/06/97/659710697.db2.gz HEVKCQGFOMSUOH-LLVKDONJSA-N 2 1 268.361 -0.854 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000990275946 659710972 /nfs/dbraw/zinc/71/09/72/659710972.db2.gz FNYUMRKERIDVJK-STQMWFEESA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000990276328 659711028 /nfs/dbraw/zinc/71/10/28/659711028.db2.gz HEVKCQGFOMSUOH-NSHDSACASA-N 2 1 268.361 -0.854 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933737315 659735265 /nfs/dbraw/zinc/73/52/65/659735265.db2.gz OTUQMBCGIGMNAN-GXFFZTMASA-N 2 1 268.361 -0.284 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933737315 659735269 /nfs/dbraw/zinc/73/52/69/659735269.db2.gz OTUQMBCGIGMNAN-GXFFZTMASA-N 2 1 268.361 -0.284 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933737315 659735272 /nfs/dbraw/zinc/73/52/72/659735272.db2.gz OTUQMBCGIGMNAN-GXFFZTMASA-N 2 1 268.361 -0.284 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933755293 659737705 /nfs/dbraw/zinc/73/77/05/659737705.db2.gz JCAYKTSCBXXXRS-GUTXKFCHSA-N 2 1 299.415 -0.487 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933755293 659737708 /nfs/dbraw/zinc/73/77/08/659737708.db2.gz JCAYKTSCBXXXRS-GUTXKFCHSA-N 2 1 299.415 -0.487 20 0 CBADMP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933755293 659737711 /nfs/dbraw/zinc/73/77/11/659737711.db2.gz JCAYKTSCBXXXRS-GUTXKFCHSA-N 2 1 299.415 -0.487 20 0 CBADMP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933755293 659737712 /nfs/dbraw/zinc/73/77/12/659737712.db2.gz JCAYKTSCBXXXRS-GUTXKFCHSA-N 2 1 299.415 -0.487 20 0 CBADMP CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1)[NH+](C)C ZINC000990513772 659755049 /nfs/dbraw/zinc/75/50/49/659755049.db2.gz IHYYEFNULGQBOO-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000990526381 659756603 /nfs/dbraw/zinc/75/66/03/659756603.db2.gz RJDLJJWGOXQGJG-AAEUAGOBSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000990526381 659756610 /nfs/dbraw/zinc/75/66/10/659756610.db2.gz RJDLJJWGOXQGJG-AAEUAGOBSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000990526381 659756620 /nfs/dbraw/zinc/75/66/20/659756620.db2.gz RJDLJJWGOXQGJG-AAEUAGOBSA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC000990526549 659757009 /nfs/dbraw/zinc/75/70/09/659757009.db2.gz SCYHFKRGQPAFHO-CYBMUJFWSA-N 2 1 294.399 -0.497 20 0 CBADMP C[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000990569044 659760222 /nfs/dbraw/zinc/76/02/22/659760222.db2.gz DJLXUBGDUMKBKE-WCQYABFASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000990569044 659760229 /nfs/dbraw/zinc/76/02/29/659760229.db2.gz DJLXUBGDUMKBKE-WCQYABFASA-N 2 1 285.388 -0.722 20 0 CBADMP Cc1[nH+]ccn1CC[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC000934222017 659784222 /nfs/dbraw/zinc/78/42/22/659784222.db2.gz FMHPJKCNRKYURA-CYBMUJFWSA-N 2 1 276.344 -0.078 20 0 CBADMP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000934967727 659814044 /nfs/dbraw/zinc/81/40/44/659814044.db2.gz XQZNMWWNSVVWEF-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000934967727 659814045 /nfs/dbraw/zinc/81/40/45/659814045.db2.gz XQZNMWWNSVVWEF-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000934967724 659814190 /nfs/dbraw/zinc/81/41/90/659814190.db2.gz XQZNMWWNSVVWEF-JSGCOSHPSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000934967724 659814193 /nfs/dbraw/zinc/81/41/93/659814193.db2.gz XQZNMWWNSVVWEF-JSGCOSHPSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1)[NH+](C)C ZINC000991708329 659841508 /nfs/dbraw/zinc/84/15/08/659841508.db2.gz FKTBXKVVSDLFHE-WCQYABFASA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000935980291 659848992 /nfs/dbraw/zinc/84/89/92/659848992.db2.gz HHSVJOFOHAQMCO-NWDGAFQWSA-N 2 1 257.378 -0.102 20 0 CBADMP C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596690 659927334 /nfs/dbraw/zinc/92/73/34/659927334.db2.gz DVBRVHZCJRKBIH-AAEUAGOBSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596690 659927337 /nfs/dbraw/zinc/92/73/37/659927337.db2.gz DVBRVHZCJRKBIH-AAEUAGOBSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170784 659934479 /nfs/dbraw/zinc/93/44/79/659934479.db2.gz UQFUBFBJTXNYKQ-VXGBXAGGSA-N 2 1 294.399 -0.606 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170784 659934480 /nfs/dbraw/zinc/93/44/80/659934480.db2.gz UQFUBFBJTXNYKQ-VXGBXAGGSA-N 2 1 294.399 -0.606 20 0 CBADMP C[NH+]1CCN(c2nccc(N3C[C@@H]4C[C@]4([NH3+])C3)n2)CC1 ZINC001164419700 718888632 /nfs/dbraw/zinc/88/86/32/718888632.db2.gz QWKKWEQGLMEFAS-FZMZJTMJSA-N 2 1 274.372 -0.234 20 0 CBADMP C[N@H+]1CCO[C@@H]2CN(c3cc4c(nn3)CC[NH2+]C4)C[C@H]21 ZINC001164666962 719411682 /nfs/dbraw/zinc/41/16/82/719411682.db2.gz DYZZYYQEHUYBMT-CHWSQXEVSA-N 2 1 275.356 -0.359 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001076461903 805575854 /nfs/dbraw/zinc/57/58/54/805575854.db2.gz ANVQDBIMHQRLKA-RWMBFGLXSA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001076461903 805575861 /nfs/dbraw/zinc/57/58/61/805575861.db2.gz ANVQDBIMHQRLKA-RWMBFGLXSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001076461903 805575865 /nfs/dbraw/zinc/57/58/65/805575865.db2.gz ANVQDBIMHQRLKA-RWMBFGLXSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001076461903 805575870 /nfs/dbraw/zinc/57/58/70/805575870.db2.gz ANVQDBIMHQRLKA-RWMBFGLXSA-N 2 1 294.399 -0.654 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076571584 805580599 /nfs/dbraw/zinc/58/05/99/805580599.db2.gz PCUUAUCOHCDKPW-UONOGXRCSA-N 2 1 281.400 -0.003 20 0 CBADMP COC[C@@H](C)OC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000234763753 790439485 /nfs/dbraw/zinc/43/94/85/790439485.db2.gz WGEDLTNXDPNGPQ-NDBYEHHHSA-N 2 1 258.362 -0.450 20 0 CBADMP COCCOC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000234729354 790441253 /nfs/dbraw/zinc/44/12/53/790441253.db2.gz MIGZNUYOKIFLRS-OLZOCXBDSA-N 2 1 260.378 -0.058 20 0 CBADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](O)COCCOC)C1 ZINC000300258716 790469050 /nfs/dbraw/zinc/46/90/50/790469050.db2.gz IXKJKHTWXDDYCT-OLZOCXBDSA-N 2 1 260.378 -0.058 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000321276223 790485209 /nfs/dbraw/zinc/48/52/09/790485209.db2.gz MWUUBCPPAYXVGQ-LLVKDONJSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000321276224 790486595 /nfs/dbraw/zinc/48/65/95/790486595.db2.gz MWUUBCPPAYXVGQ-NSHDSACASA-N 2 1 255.362 -0.489 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000379434429 790510470 /nfs/dbraw/zinc/51/04/70/790510470.db2.gz LDLSPWXRHMKVHO-AGIUHOORSA-N 2 1 259.394 -0.392 20 0 CBADMP 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 790518297 /nfs/dbraw/zinc/51/82/97/790518297.db2.gz BWWXRXAWVXXHHE-XDSHMYFISA-N 2 1 264.417 -0.182 20 0 CBADMP CC[N@H+](CCC[NH+](C)C)C[C@H](O)CN1CCOCC1 ZINC000382160292 790523144 /nfs/dbraw/zinc/52/31/44/790523144.db2.gz CHJPDBHSGONFLR-AWEZNQCLSA-N 2 1 273.421 -0.047 20 0 CBADMP CC[N@@H+](CCC[NH+](C)C)C[C@H](O)CN1CCOCC1 ZINC000382160292 790523153 /nfs/dbraw/zinc/52/31/53/790523153.db2.gz CHJPDBHSGONFLR-AWEZNQCLSA-N 2 1 273.421 -0.047 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)C1(C[NH3+])CCC1 ZINC000385492972 790541780 /nfs/dbraw/zinc/54/17/80/790541780.db2.gz PHBUVJLDWVWQFH-GFCCVEGCSA-N 2 1 259.394 -0.261 20 0 CBADMP C[NH2+][C@H]1CCCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000386061928 790544746 /nfs/dbraw/zinc/54/47/46/790544746.db2.gz DQOBIUIXHMUMJI-QWHCGFSZSA-N 2 1 259.394 -0.391 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000386199114 790545698 /nfs/dbraw/zinc/54/56/98/790545698.db2.gz WFCPRMREPHVBPR-STQMWFEESA-N 2 1 259.394 -0.404 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000386199114 790545706 /nfs/dbraw/zinc/54/57/06/790545706.db2.gz WFCPRMREPHVBPR-STQMWFEESA-N 2 1 259.394 -0.404 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000386199114 790545712 /nfs/dbraw/zinc/54/57/12/790545712.db2.gz WFCPRMREPHVBPR-STQMWFEESA-N 2 1 259.394 -0.404 20 0 CBADMP COC1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH2+]CC1 ZINC000386056981 790546263 /nfs/dbraw/zinc/54/62/63/790546263.db2.gz GMDSBRVWBGDCRN-QWHCGFSZSA-N 2 1 297.399 -0.266 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000386527128 790547818 /nfs/dbraw/zinc/54/78/18/790547818.db2.gz OMLBLBQPDNBNAQ-YNEHKIRRSA-N 2 1 258.362 -0.306 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000388877075 790559633 /nfs/dbraw/zinc/55/96/33/790559633.db2.gz RRDXHTRPCITSCI-IHRRRGAJSA-N 3 1 273.421 -0.158 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000388877075 790559643 /nfs/dbraw/zinc/55/96/43/790559643.db2.gz RRDXHTRPCITSCI-IHRRRGAJSA-N 2 1 273.421 -0.158 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000388877075 790559649 /nfs/dbraw/zinc/55/96/49/790559649.db2.gz RRDXHTRPCITSCI-IHRRRGAJSA-N 2 1 273.421 -0.158 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394393512 790577403 /nfs/dbraw/zinc/57/74/03/790577403.db2.gz ZKGGVFWFIHGNCU-AAEUAGOBSA-N 2 1 266.389 -0.367 20 0 CBADMP C[NH2+]C[C@H]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000394077093 790577631 /nfs/dbraw/zinc/57/76/31/790577631.db2.gz CERBTPCEUXCQPT-OLZOCXBDSA-N 2 1 259.394 -0.533 20 0 CBADMP C[C@@H]1COCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000399319519 790600313 /nfs/dbraw/zinc/60/03/13/790600313.db2.gz PONKEZWGQDTTIW-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP COC1(CO)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000401768266 790607646 /nfs/dbraw/zinc/60/76/46/790607646.db2.gz MVUOEMOHYKIBRO-CYBMUJFWSA-N 2 1 272.389 -0.084 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000687246728 790649912 /nfs/dbraw/zinc/64/99/12/790649912.db2.gz VSRRRMWNQLRWRO-FRRDWIJNSA-N 2 1 257.378 -0.638 20 0 CBADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000692440864 790675757 /nfs/dbraw/zinc/67/57/57/790675757.db2.gz PTBWERJEUOUICJ-GHMZBOCLSA-N 2 1 263.407 -0.002 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC1CCS(=O)(=O)CC1 ZINC000692912355 790678597 /nfs/dbraw/zinc/67/85/97/790678597.db2.gz JIBYSLIQEHFNFV-UHFFFAOYSA-N 2 1 289.445 -0.352 20 0 CBADMP [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000693575435 790682111 /nfs/dbraw/zinc/68/21/11/790682111.db2.gz VXHVRVIMJTWQQZ-BJDJZHNGSA-N 2 1 253.346 -0.297 20 0 CBADMP C[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)CC[C@@H]1C[NH3+] ZINC000695399397 790688851 /nfs/dbraw/zinc/68/88/51/790688851.db2.gz JYHPYAFWFCMDJS-VHSXEESVSA-N 2 1 254.334 -0.545 20 0 CBADMP O=C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOCC1 ZINC000709505718 790736915 /nfs/dbraw/zinc/73/69/15/790736915.db2.gz WBIOKBCYWJCOPB-FOSCPWQOSA-N 2 1 253.346 -0.282 20 0 CBADMP O[C@H](CN1CCOCC1)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000714976506 790752246 /nfs/dbraw/zinc/75/22/46/790752246.db2.gz WAPCERSMSTUPHV-ZNMIVQPWSA-N 2 1 283.416 -0.247 20 0 CBADMP O[C@H](CN1CCOCC1)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000714976506 790752253 /nfs/dbraw/zinc/75/22/53/790752253.db2.gz WAPCERSMSTUPHV-ZNMIVQPWSA-N 2 1 283.416 -0.247 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720830463 790772817 /nfs/dbraw/zinc/77/28/17/790772817.db2.gz MRPJHPCNGZVQAI-JGVFFNPUSA-N 2 1 296.293 -0.099 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720830463 790772827 /nfs/dbraw/zinc/77/28/27/790772827.db2.gz MRPJHPCNGZVQAI-JGVFFNPUSA-N 2 1 296.293 -0.099 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720885041 790772993 /nfs/dbraw/zinc/77/29/93/790772993.db2.gz CEKOCXBPVWRQEL-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720904871 790774297 /nfs/dbraw/zinc/77/42/97/790774297.db2.gz XMABXWJOFKHCOQ-SDDRHHMPSA-N 2 1 254.378 -0.430 20 0 CBADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000720905578 790774862 /nfs/dbraw/zinc/77/48/62/790774862.db2.gz DJTAGSOKGNHCDT-FIQHERPVSA-N 2 1 253.346 -0.202 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887642 790802345 /nfs/dbraw/zinc/80/23/45/790802345.db2.gz WFFFKFJPEBKQOC-NXEZZACHSA-N 2 1 256.350 -0.251 20 0 CBADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000723672848 790803417 /nfs/dbraw/zinc/80/34/17/790803417.db2.gz SMCKJWBHEMKMJU-NEPJUHHUSA-N 2 1 255.362 -0.048 20 0 CBADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000723672851 790803490 /nfs/dbraw/zinc/80/34/90/790803490.db2.gz SMCKJWBHEMKMJU-VXGBXAGGSA-N 2 1 255.362 -0.048 20 0 CBADMP C[C@@H](CC[NH2+]Cc1cn(C)c(=O)n(C)c1=O)[NH+](C)C ZINC000829320392 790897442 /nfs/dbraw/zinc/89/74/42/790897442.db2.gz PNMBTRGGVRZTCI-JTQLQIEISA-N 2 1 268.361 -0.486 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020675680 790939548 /nfs/dbraw/zinc/93/95/48/790939548.db2.gz ARDLCSNVKWBJJB-JHJVBQTASA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001021906425 790968507 /nfs/dbraw/zinc/96/85/07/790968507.db2.gz NVQHFIYDRUVWJG-MMWGEVLESA-N 2 1 268.361 -0.809 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCF)C2)C1 ZINC001021928988 790974578 /nfs/dbraw/zinc/97/45/78/790974578.db2.gz WVHZYYSYHNWKLP-AXFHLTTASA-N 2 1 259.325 -0.477 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCF)C2)C1 ZINC001021928988 790974584 /nfs/dbraw/zinc/97/45/84/790974584.db2.gz WVHZYYSYHNWKLP-AXFHLTTASA-N 2 1 259.325 -0.477 20 0 CBADMP 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 790990809 /nfs/dbraw/zinc/99/08/09/790990809.db2.gz CHFQVVCOSIWJCY-NAWOPXAZSA-N 2 1 296.415 -0.173 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022195942 790995564 /nfs/dbraw/zinc/99/55/64/790995564.db2.gz JWENYHUIZDJXBP-UPJWGTAASA-N 2 1 296.415 -0.314 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001022199286 790997159 /nfs/dbraw/zinc/99/71/59/790997159.db2.gz FNWORUGGBJZPMY-AXFHLTTASA-N 2 1 291.355 -0.517 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001022341829 791006824 /nfs/dbraw/zinc/00/68/24/791006824.db2.gz OFHNGYHZRANANB-MXWKQRLJSA-N 2 1 296.371 -0.033 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001022437805 791013848 /nfs/dbraw/zinc/01/38/48/791013848.db2.gz XBLMJQJDIDTUJM-SDDRHHMPSA-N 2 1 266.345 -0.191 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001022435780 791014295 /nfs/dbraw/zinc/01/42/95/791014295.db2.gz ACKCBDQIBXVGIO-GARJFASQSA-N 2 1 279.344 -0.698 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001022437806 791014493 /nfs/dbraw/zinc/01/44/93/791014493.db2.gz XBLMJQJDIDTUJM-UTUOFQBUSA-N 2 1 266.345 -0.191 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022717167 791040975 /nfs/dbraw/zinc/04/09/75/791040975.db2.gz RRFGRQKQTAFYMZ-NNYUYHANSA-N 2 1 255.362 -0.587 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001022716483 791041055 /nfs/dbraw/zinc/04/10/55/791041055.db2.gz XTMUOYFIAFKVPT-FVCCEPFGSA-N 2 1 294.399 -0.547 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)C(N)=O ZINC001022712676 791041510 /nfs/dbraw/zinc/04/15/10/791041510.db2.gz XIXZKVLBCXZPQZ-RVMXOQNASA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022712454 791042211 /nfs/dbraw/zinc/04/22/11/791042211.db2.gz QRLOIWRGLKNLGF-SDDRHHMPSA-N 2 1 255.362 -0.300 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC)C[C@H]2O)CC[N@H+]1C ZINC001077028328 805673606 /nfs/dbraw/zinc/67/36/06/805673606.db2.gz BLVUNCFQRFAYDF-UMSGYPCISA-N 2 1 269.389 -0.102 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC)C[C@H]2O)CC[NH+]1C ZINC001077028328 805673610 /nfs/dbraw/zinc/67/36/10/805673610.db2.gz BLVUNCFQRFAYDF-UMSGYPCISA-N 2 1 269.389 -0.102 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC)C[C@H]2O)CC[NH+]1C ZINC001077028328 805673612 /nfs/dbraw/zinc/67/36/12/805673612.db2.gz BLVUNCFQRFAYDF-UMSGYPCISA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001077128150 805687986 /nfs/dbraw/zinc/68/79/86/805687986.db2.gz ZFQNRUBRVQSTMW-MGPQQGTHSA-N 2 1 299.415 -0.882 20 0 CBADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001077128150 805687987 /nfs/dbraw/zinc/68/79/87/805687987.db2.gz ZFQNRUBRVQSTMW-MGPQQGTHSA-N 2 1 299.415 -0.882 20 0 CBADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001077128150 805687993 /nfs/dbraw/zinc/68/79/93/805687993.db2.gz ZFQNRUBRVQSTMW-MGPQQGTHSA-N 2 1 299.415 -0.882 20 0 CBADMP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C)[nH]1 ZINC001147886043 814924390 /nfs/dbraw/zinc/92/43/90/814924390.db2.gz RVNHEXDYMVATMR-SNVBAGLBSA-N 2 1 298.391 -0.542 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001147893450 814924502 /nfs/dbraw/zinc/92/45/02/814924502.db2.gz QQEJTYQKSJKDFK-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077394778 805725054 /nfs/dbraw/zinc/72/50/54/805725054.db2.gz CYNHOBQZFODSRC-JHJVBQTASA-N 2 1 296.371 -0.612 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077394778 805725060 /nfs/dbraw/zinc/72/50/60/805725060.db2.gz CYNHOBQZFODSRC-JHJVBQTASA-N 2 1 296.371 -0.612 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001077395139 805725356 /nfs/dbraw/zinc/72/53/56/805725356.db2.gz VUPSNDFOZVENDZ-VXGBXAGGSA-N 2 1 284.335 -0.288 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001077395139 805725360 /nfs/dbraw/zinc/72/53/60/805725360.db2.gz VUPSNDFOZVENDZ-VXGBXAGGSA-N 2 1 284.335 -0.288 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001077675722 805768455 /nfs/dbraw/zinc/76/84/55/805768455.db2.gz WPOMACMLOBNKPT-YNEHKIRRSA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001077675722 805768462 /nfs/dbraw/zinc/76/84/62/805768462.db2.gz WPOMACMLOBNKPT-YNEHKIRRSA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077675722 805768468 /nfs/dbraw/zinc/76/84/68/805768468.db2.gz WPOMACMLOBNKPT-YNEHKIRRSA-N 2 1 285.388 -0.986 20 0 CBADMP CN1CC[C@H]([NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001147892966 814925260 /nfs/dbraw/zinc/92/52/60/814925260.db2.gz MMZJAJAZYMJEGG-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011653 805821523 /nfs/dbraw/zinc/82/15/23/805821523.db2.gz APJKHGANAFSJFF-CHWSQXEVSA-N 2 1 281.400 -0.101 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012177 805823132 /nfs/dbraw/zinc/82/31/32/805823132.db2.gz XKLIIXOKFXVCMW-VXGBXAGGSA-N 2 1 267.373 -0.347 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078006032 805823260 /nfs/dbraw/zinc/82/32/60/805823260.db2.gz QCVNCCXEYDVSAL-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078006032 805823269 /nfs/dbraw/zinc/82/32/69/805823269.db2.gz QCVNCCXEYDVSAL-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078006032 805823279 /nfs/dbraw/zinc/82/32/79/805823279.db2.gz QCVNCCXEYDVSAL-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001078183490 805852726 /nfs/dbraw/zinc/85/27/26/805852726.db2.gz TZDYDCKWBOPRNX-VXGBXAGGSA-N 2 1 284.335 -0.288 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001078183490 805852736 /nfs/dbraw/zinc/85/27/36/805852736.db2.gz TZDYDCKWBOPRNX-VXGBXAGGSA-N 2 1 284.335 -0.288 20 0 CBADMP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180343 805853765 /nfs/dbraw/zinc/85/37/65/805853765.db2.gz ZBYHZFJJWYLOOB-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180343 805853774 /nfs/dbraw/zinc/85/37/74/805853774.db2.gz ZBYHZFJJWYLOOB-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710553 805942389 /nfs/dbraw/zinc/94/23/89/805942389.db2.gz MWUJABUZJBQPGA-RAIGVLPGSA-N 2 1 294.399 -0.750 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710553 805942394 /nfs/dbraw/zinc/94/23/94/805942394.db2.gz MWUJABUZJBQPGA-RAIGVLPGSA-N 2 1 294.399 -0.750 20 0 CBADMP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951212 805954302 /nfs/dbraw/zinc/95/43/02/805954302.db2.gz AHZCMFCCFHNHGG-AAVRWANBSA-N 2 1 299.415 -0.212 20 0 CBADMP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951212 805954311 /nfs/dbraw/zinc/95/43/11/805954311.db2.gz AHZCMFCCFHNHGG-AAVRWANBSA-N 2 1 299.415 -0.212 20 0 CBADMP COCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079951212 805954316 /nfs/dbraw/zinc/95/43/16/805954316.db2.gz AHZCMFCCFHNHGG-AAVRWANBSA-N 2 1 299.415 -0.212 20 0 CBADMP COCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079951212 805954324 /nfs/dbraw/zinc/95/43/24/805954324.db2.gz AHZCMFCCFHNHGG-AAVRWANBSA-N 2 1 299.415 -0.212 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2C)C1 ZINC001080318290 805971222 /nfs/dbraw/zinc/97/12/22/805971222.db2.gz MNCQKXOYHGRWAA-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2C)C1 ZINC001080318290 805971225 /nfs/dbraw/zinc/97/12/25/805971225.db2.gz MNCQKXOYHGRWAA-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2C)C1 ZINC001080318290 805971230 /nfs/dbraw/zinc/97/12/30/805971230.db2.gz MNCQKXOYHGRWAA-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2C)C1 ZINC001080318290 805971232 /nfs/dbraw/zinc/97/12/32/805971232.db2.gz MNCQKXOYHGRWAA-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)c1nncn1C ZINC001147977393 814927829 /nfs/dbraw/zinc/92/78/29/814927829.db2.gz QURLQOZXNBLQDP-LLVKDONJSA-N 2 1 292.387 -0.322 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080940039 806015683 /nfs/dbraw/zinc/01/56/83/806015683.db2.gz VBPIHGIIFILKAS-GRYCIOLGSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080940039 806015690 /nfs/dbraw/zinc/01/56/90/806015690.db2.gz VBPIHGIIFILKAS-GRYCIOLGSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080940039 806015698 /nfs/dbraw/zinc/01/56/98/806015698.db2.gz VBPIHGIIFILKAS-GRYCIOLGSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080943005 806016591 /nfs/dbraw/zinc/01/65/91/806016591.db2.gz KWBJVZHYUBJEHV-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080943005 806016597 /nfs/dbraw/zinc/01/65/97/806016597.db2.gz KWBJVZHYUBJEHV-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@H]2C)C1 ZINC001080977162 806020415 /nfs/dbraw/zinc/02/04/15/806020415.db2.gz YYOPNSCKGOCXKE-MCIONIFRSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@H]2C)C1 ZINC001080977162 806020422 /nfs/dbraw/zinc/02/04/22/806020422.db2.gz YYOPNSCKGOCXKE-MCIONIFRSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOC)C[C@H]2C)C1 ZINC001080977162 806020429 /nfs/dbraw/zinc/02/04/29/806020429.db2.gz YYOPNSCKGOCXKE-MCIONIFRSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2C)C1 ZINC001080977162 806020436 /nfs/dbraw/zinc/02/04/36/806020436.db2.gz YYOPNSCKGOCXKE-MCIONIFRSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2C)C1 ZINC001080976638 806020629 /nfs/dbraw/zinc/02/06/29/806020629.db2.gz DJEZVYHZBIPQOR-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2C)C1 ZINC001080976638 806020637 /nfs/dbraw/zinc/02/06/37/806020637.db2.gz DJEZVYHZBIPQOR-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2C)C1 ZINC001080976638 806020643 /nfs/dbraw/zinc/02/06/43/806020643.db2.gz DJEZVYHZBIPQOR-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2C)C1 ZINC001080976638 806020651 /nfs/dbraw/zinc/02/06/51/806020651.db2.gz DJEZVYHZBIPQOR-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2C)C1 ZINC001080976571 806021146 /nfs/dbraw/zinc/02/11/46/806021146.db2.gz AWAUKNJSLABYJC-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2C)C1 ZINC001080976571 806021155 /nfs/dbraw/zinc/02/11/55/806021155.db2.gz AWAUKNJSLABYJC-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2C)C1 ZINC001080976571 806021164 /nfs/dbraw/zinc/02/11/64/806021164.db2.gz AWAUKNJSLABYJC-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2C)C1 ZINC001080976571 806021174 /nfs/dbraw/zinc/02/11/74/806021174.db2.gz AWAUKNJSLABYJC-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081446392 806081944 /nfs/dbraw/zinc/08/19/44/806081944.db2.gz ZHJURJTWXBLKSB-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001081446392 806081962 /nfs/dbraw/zinc/08/19/62/806081962.db2.gz ZHJURJTWXBLKSB-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081446392 806081953 /nfs/dbraw/zinc/08/19/53/806081953.db2.gz ZHJURJTWXBLKSB-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001081446392 806081971 /nfs/dbraw/zinc/08/19/71/806081971.db2.gz ZHJURJTWXBLKSB-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081446391 806082921 /nfs/dbraw/zinc/08/29/21/806082921.db2.gz ZHJURJTWXBLKSB-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081446391 806082932 /nfs/dbraw/zinc/08/29/32/806082932.db2.gz ZHJURJTWXBLKSB-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001081446391 806082941 /nfs/dbraw/zinc/08/29/41/806082941.db2.gz ZHJURJTWXBLKSB-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001081446391 806082948 /nfs/dbraw/zinc/08/29/48/806082948.db2.gz ZHJURJTWXBLKSB-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@@H]1C[N@@H+](C(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848054 806128220 /nfs/dbraw/zinc/12/82/20/806128220.db2.gz JZMGECBBDPHUCY-AAVRWANBSA-N 2 1 299.415 -0.071 20 0 CBADMP CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848054 806128226 /nfs/dbraw/zinc/12/82/26/806128226.db2.gz JZMGECBBDPHUCY-AAVRWANBSA-N 2 1 299.415 -0.071 20 0 CBADMP CO[C@@H]1C[NH+](C(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848054 806128237 /nfs/dbraw/zinc/12/82/37/806128237.db2.gz JZMGECBBDPHUCY-AAVRWANBSA-N 2 1 299.415 -0.071 20 0 CBADMP CO[C@@H]1C[NH+](C(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848054 806128243 /nfs/dbraw/zinc/12/82/43/806128243.db2.gz JZMGECBBDPHUCY-AAVRWANBSA-N 2 1 299.415 -0.071 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001082057880 806143751 /nfs/dbraw/zinc/14/37/51/806143751.db2.gz HLKSPPFRKGJIBS-MCIONIFRSA-N 2 1 299.415 -0.069 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001082057880 806143757 /nfs/dbraw/zinc/14/37/57/806143757.db2.gz HLKSPPFRKGJIBS-MCIONIFRSA-N 2 1 299.415 -0.069 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001082057880 806143767 /nfs/dbraw/zinc/14/37/67/806143767.db2.gz HLKSPPFRKGJIBS-MCIONIFRSA-N 2 1 299.415 -0.069 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001082057880 806143775 /nfs/dbraw/zinc/14/37/75/806143775.db2.gz HLKSPPFRKGJIBS-MCIONIFRSA-N 2 1 299.415 -0.069 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082200916 806153307 /nfs/dbraw/zinc/15/33/07/806153307.db2.gz AGCUHPKHMNPLFM-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328652 806164023 /nfs/dbraw/zinc/16/40/23/806164023.db2.gz DXHZFXYVXXIOHE-CHWSQXEVSA-N 2 1 297.399 -0.456 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370869 806171341 /nfs/dbraw/zinc/17/13/41/806171341.db2.gz GHVPDJPFCNJRFX-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370869 806171347 /nfs/dbraw/zinc/17/13/47/806171347.db2.gz GHVPDJPFCNJRFX-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2OC)C1 ZINC001082377531 806171401 /nfs/dbraw/zinc/17/14/01/806171401.db2.gz UGTLEMFUQVEQFL-MGPQQGTHSA-N 2 1 299.415 -0.069 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2OC)C1 ZINC001082377531 806171408 /nfs/dbraw/zinc/17/14/08/806171408.db2.gz UGTLEMFUQVEQFL-MGPQQGTHSA-N 2 1 299.415 -0.069 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2OC)C1 ZINC001082377531 806171416 /nfs/dbraw/zinc/17/14/16/806171416.db2.gz UGTLEMFUQVEQFL-MGPQQGTHSA-N 2 1 299.415 -0.069 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2OC)C1 ZINC001082377531 806171421 /nfs/dbraw/zinc/17/14/21/806171421.db2.gz UGTLEMFUQVEQFL-MGPQQGTHSA-N 2 1 299.415 -0.069 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCO ZINC001082590545 806186460 /nfs/dbraw/zinc/18/64/60/806186460.db2.gz BTBOIBRMIQPZDD-FDYHWXHSSA-N 2 1 285.388 -0.866 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCO ZINC001082590545 806186463 /nfs/dbraw/zinc/18/64/63/806186463.db2.gz BTBOIBRMIQPZDD-FDYHWXHSSA-N 2 1 285.388 -0.866 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001082646635 806187677 /nfs/dbraw/zinc/18/76/77/806187677.db2.gz JCNGOIMORATFGJ-YUSALJHKSA-N 2 1 293.371 -0.498 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCO ZINC001082861703 806197364 /nfs/dbraw/zinc/19/73/64/806197364.db2.gz LYEOXQZSTXACNQ-FRRDWIJNSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1cnon1 ZINC001082921027 806197973 /nfs/dbraw/zinc/19/79/73/806197973.db2.gz RBXAQSWVMZHJMD-NQBHXWOUSA-N 2 1 293.371 -0.042 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1cnon1 ZINC001082921027 806197981 /nfs/dbraw/zinc/19/79/81/806197981.db2.gz RBXAQSWVMZHJMD-NQBHXWOUSA-N 2 1 293.371 -0.042 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCO)C2)C1 ZINC001082934545 806198354 /nfs/dbraw/zinc/19/83/54/806198354.db2.gz OUOLFYXLZNHSMY-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCO)C2)C1 ZINC001082934545 806198356 /nfs/dbraw/zinc/19/83/56/806198356.db2.gz OUOLFYXLZNHSMY-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CCOC)C[C@@H]21)[NH+](C)C ZINC001083119619 806229469 /nfs/dbraw/zinc/22/94/69/806229469.db2.gz CFFNENMWDCJEKZ-HZSPNIEDSA-N 2 1 299.415 -0.115 20 0 CBADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCOC)C[C@@H]21)[NH+](C)C ZINC001083119619 806229473 /nfs/dbraw/zinc/22/94/73/806229473.db2.gz CFFNENMWDCJEKZ-HZSPNIEDSA-N 2 1 299.415 -0.115 20 0 CBADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21)[NH+](C)C ZINC001083196545 806235752 /nfs/dbraw/zinc/23/57/52/806235752.db2.gz WVRJUHTVUBQIKA-RWMBFGLXSA-N 2 1 285.388 -0.770 20 0 CBADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21)[NH+](C)C ZINC001083196545 806235758 /nfs/dbraw/zinc/23/57/58/806235758.db2.gz WVRJUHTVUBQIKA-RWMBFGLXSA-N 2 1 285.388 -0.770 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)C1 ZINC001083192556 806236955 /nfs/dbraw/zinc/23/69/55/806236955.db2.gz GLWQDNHNTGOKCR-MELADBBJSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)C1 ZINC001083192556 806236963 /nfs/dbraw/zinc/23/69/63/806236963.db2.gz GLWQDNHNTGOKCR-MELADBBJSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1 ZINC001083192556 806236969 /nfs/dbraw/zinc/23/69/69/806236969.db2.gz GLWQDNHNTGOKCR-MELADBBJSA-N 2 1 297.399 -0.768 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1 ZINC001083192556 806236976 /nfs/dbraw/zinc/23/69/76/806236976.db2.gz GLWQDNHNTGOKCR-MELADBBJSA-N 2 1 297.399 -0.768 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465909 806336018 /nfs/dbraw/zinc/33/60/18/806336018.db2.gz XTRNWJILSURUJN-MCIONIFRSA-N 2 1 297.399 -0.864 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083522723 806354758 /nfs/dbraw/zinc/35/47/58/806354758.db2.gz UKYRMLSUOUCCNY-UTUOFQBUSA-N 2 1 278.356 -0.058 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083522723 806354766 /nfs/dbraw/zinc/35/47/66/806354766.db2.gz UKYRMLSUOUCCNY-UTUOFQBUSA-N 2 1 278.356 -0.058 20 0 CBADMP CC(C)[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565535 806368910 /nfs/dbraw/zinc/36/89/10/806368910.db2.gz YKDIKPSEMLGKLB-FVCCEPFGSA-N 2 1 285.388 -0.725 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565535 806368919 /nfs/dbraw/zinc/36/89/19/806368919.db2.gz YKDIKPSEMLGKLB-FVCCEPFGSA-N 2 1 285.388 -0.725 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565535 806368925 /nfs/dbraw/zinc/36/89/25/806368925.db2.gz YKDIKPSEMLGKLB-FVCCEPFGSA-N 2 1 285.388 -0.725 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565535 806368932 /nfs/dbraw/zinc/36/89/32/806368932.db2.gz YKDIKPSEMLGKLB-FVCCEPFGSA-N 2 1 285.388 -0.725 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645253 806390870 /nfs/dbraw/zinc/39/08/70/806390870.db2.gz ROBYJUKAXSNJPQ-XQQFMLRXSA-N 2 1 296.371 -0.612 20 0 CBADMP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645253 806390878 /nfs/dbraw/zinc/39/08/78/806390878.db2.gz ROBYJUKAXSNJPQ-XQQFMLRXSA-N 2 1 296.371 -0.612 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083696385 806404331 /nfs/dbraw/zinc/40/43/31/806404331.db2.gz XRORBLNFETURPW-XQQFMLRXSA-N 2 1 299.415 -0.597 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083696385 806404335 /nfs/dbraw/zinc/40/43/35/806404335.db2.gz XRORBLNFETURPW-XQQFMLRXSA-N 2 1 299.415 -0.597 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723345 806414310 /nfs/dbraw/zinc/41/43/10/806414310.db2.gz GIBDMNSQJHUTOJ-FRRDWIJNSA-N 2 1 285.388 -0.723 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723345 806414313 /nfs/dbraw/zinc/41/43/13/806414313.db2.gz GIBDMNSQJHUTOJ-FRRDWIJNSA-N 2 1 285.388 -0.723 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723345 806414320 /nfs/dbraw/zinc/41/43/20/806414320.db2.gz GIBDMNSQJHUTOJ-FRRDWIJNSA-N 2 1 285.388 -0.723 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723345 806414327 /nfs/dbraw/zinc/41/43/27/806414327.db2.gz GIBDMNSQJHUTOJ-FRRDWIJNSA-N 2 1 285.388 -0.723 20 0 CBADMP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723471 806414944 /nfs/dbraw/zinc/41/49/44/806414944.db2.gz LRPKNIJSWUHLMS-RDBSUJKOSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723471 806414948 /nfs/dbraw/zinc/41/49/48/806414948.db2.gz LRPKNIJSWUHLMS-RDBSUJKOSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723471 806414950 /nfs/dbraw/zinc/41/49/50/806414950.db2.gz LRPKNIJSWUHLMS-RDBSUJKOSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723471 806414954 /nfs/dbraw/zinc/41/49/54/806414954.db2.gz LRPKNIJSWUHLMS-RDBSUJKOSA-N 2 1 299.415 -0.333 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750267 806423455 /nfs/dbraw/zinc/42/34/55/806423455.db2.gz NGXWSOPHKUPKGZ-OLZOCXBDSA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780985 806429731 /nfs/dbraw/zinc/42/97/31/806429731.db2.gz QLSAUVMUECXFTE-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780985 806429735 /nfs/dbraw/zinc/42/97/35/806429735.db2.gz QLSAUVMUECXFTE-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780985 806429742 /nfs/dbraw/zinc/42/97/42/806429742.db2.gz QLSAUVMUECXFTE-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780985 806429747 /nfs/dbraw/zinc/42/97/47/806429747.db2.gz QLSAUVMUECXFTE-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2O)C1 ZINC001083780676 806430744 /nfs/dbraw/zinc/43/07/44/806430744.db2.gz GLBJDYACMKOKGF-UPJWGTAASA-N 2 1 287.379 -0.151 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2O)C1 ZINC001083780676 806430751 /nfs/dbraw/zinc/43/07/51/806430751.db2.gz GLBJDYACMKOKGF-UPJWGTAASA-N 2 1 287.379 -0.151 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)C1 ZINC001083780676 806430757 /nfs/dbraw/zinc/43/07/57/806430757.db2.gz GLBJDYACMKOKGF-UPJWGTAASA-N 2 1 287.379 -0.151 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781660 806431427 /nfs/dbraw/zinc/43/14/27/806431427.db2.gz QLMIEYRONKHGIZ-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781660 806431430 /nfs/dbraw/zinc/43/14/30/806431430.db2.gz QLMIEYRONKHGIZ-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781660 806431432 /nfs/dbraw/zinc/43/14/32/806431432.db2.gz QLMIEYRONKHGIZ-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778964 806432619 /nfs/dbraw/zinc/43/26/19/806432619.db2.gz FDCFXRPEPBAKAA-UTUOFQBUSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778964 806432622 /nfs/dbraw/zinc/43/26/22/806432622.db2.gz FDCFXRPEPBAKAA-UTUOFQBUSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778964 806432626 /nfs/dbraw/zinc/43/26/26/806432626.db2.gz FDCFXRPEPBAKAA-UTUOFQBUSA-N 2 1 255.362 -0.348 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954848 806468382 /nfs/dbraw/zinc/46/83/82/806468382.db2.gz LLHOPEBMLKXWAO-UPJWGTAASA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083954848 806468387 /nfs/dbraw/zinc/46/83/87/806468387.db2.gz LLHOPEBMLKXWAO-UPJWGTAASA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083954848 806468390 /nfs/dbraw/zinc/46/83/90/806468390.db2.gz LLHOPEBMLKXWAO-UPJWGTAASA-N 2 1 269.389 -0.102 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2O)C1 ZINC001084053707 806480204 /nfs/dbraw/zinc/48/02/04/806480204.db2.gz HYMFIYJMADGMOT-UTUOFQBUSA-N 2 1 273.352 -0.541 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2O)C1 ZINC001084053707 806480209 /nfs/dbraw/zinc/48/02/09/806480209.db2.gz HYMFIYJMADGMOT-UTUOFQBUSA-N 2 1 273.352 -0.541 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)C1 ZINC001084053707 806480213 /nfs/dbraw/zinc/48/02/13/806480213.db2.gz HYMFIYJMADGMOT-UTUOFQBUSA-N 2 1 273.352 -0.541 20 0 CBADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056698 806481006 /nfs/dbraw/zinc/48/10/06/806481006.db2.gz KHRULUZXFJQEPY-UPJWGTAASA-N 2 1 269.389 -0.245 20 0 CBADMP CC(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084056698 806481009 /nfs/dbraw/zinc/48/10/09/806481009.db2.gz KHRULUZXFJQEPY-UPJWGTAASA-N 2 1 269.389 -0.245 20 0 CBADMP CC(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084056698 806481014 /nfs/dbraw/zinc/48/10/14/806481014.db2.gz KHRULUZXFJQEPY-UPJWGTAASA-N 2 1 269.389 -0.245 20 0 CBADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084347367 806514916 /nfs/dbraw/zinc/51/49/16/806514916.db2.gz OJIKZFDFBUWSAQ-RBSFLKMASA-N 2 1 293.411 -0.147 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)O1 ZINC001084447347 806519900 /nfs/dbraw/zinc/51/99/00/806519900.db2.gz JQNPRYGGIJOMDL-AAVRWANBSA-N 2 1 297.399 -0.770 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)O1 ZINC001084447347 806519905 /nfs/dbraw/zinc/51/99/05/806519905.db2.gz JQNPRYGGIJOMDL-AAVRWANBSA-N 2 1 297.399 -0.770 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](CCO)C[C@H]32)O1 ZINC001084447347 806519908 /nfs/dbraw/zinc/51/99/08/806519908.db2.gz JQNPRYGGIJOMDL-AAVRWANBSA-N 2 1 297.399 -0.770 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)O1 ZINC001084447347 806519913 /nfs/dbraw/zinc/51/99/13/806519913.db2.gz JQNPRYGGIJOMDL-AAVRWANBSA-N 2 1 297.399 -0.770 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084662874 806531183 /nfs/dbraw/zinc/53/11/83/806531183.db2.gz AXCJMEXCADNWKY-BFHYXJOUSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CCO)C[C@H]32)C1 ZINC001084662874 806531190 /nfs/dbraw/zinc/53/11/90/806531190.db2.gz AXCJMEXCADNWKY-BFHYXJOUSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)C1 ZINC001084662874 806531198 /nfs/dbraw/zinc/53/11/98/806531198.db2.gz AXCJMEXCADNWKY-BFHYXJOUSA-N 2 1 281.400 -0.147 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCO)C1 ZINC001085159552 806548897 /nfs/dbraw/zinc/54/88/97/806548897.db2.gz ZBKPGUOUXLZOFN-JHJVBQTASA-N 2 1 285.388 -0.674 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCO)C1 ZINC001085159552 806548904 /nfs/dbraw/zinc/54/89/04/806548904.db2.gz ZBKPGUOUXLZOFN-JHJVBQTASA-N 2 1 285.388 -0.674 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCO)O1 ZINC001085242865 806550603 /nfs/dbraw/zinc/55/06/03/806550603.db2.gz JXNIBRNKULIWON-AAVRWANBSA-N 2 1 299.415 -0.285 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCO)O1 ZINC001085242865 806550610 /nfs/dbraw/zinc/55/06/10/806550610.db2.gz JXNIBRNKULIWON-AAVRWANBSA-N 2 1 299.415 -0.285 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085332359 806553979 /nfs/dbraw/zinc/55/39/79/806553979.db2.gz UNYMGCJCNMVLJW-JHJVBQTASA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCO)CC[N@H+]1C ZINC001085606407 806585156 /nfs/dbraw/zinc/58/51/56/806585156.db2.gz MAGBGJWQZRVREZ-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCO)CC[NH+]1C ZINC001085606407 806585160 /nfs/dbraw/zinc/58/51/60/806585160.db2.gz MAGBGJWQZRVREZ-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCO)CC[NH+]1C ZINC001085606407 806585166 /nfs/dbraw/zinc/58/51/66/806585166.db2.gz MAGBGJWQZRVREZ-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCO)CC[N@H+]1C ZINC001085606406 806585345 /nfs/dbraw/zinc/58/53/45/806585345.db2.gz MAGBGJWQZRVREZ-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCO)CC[NH+]1C ZINC001085606406 806585353 /nfs/dbraw/zinc/58/53/53/806585353.db2.gz MAGBGJWQZRVREZ-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCO)CC[NH+]1C ZINC001085606406 806585363 /nfs/dbraw/zinc/58/53/63/806585363.db2.gz MAGBGJWQZRVREZ-FRRDWIJNSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001086047070 806638539 /nfs/dbraw/zinc/63/85/39/806638539.db2.gz CSFVMNXUUGOETQ-YFKTTZPYSA-N 2 1 282.388 -0.561 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086046430 806639634 /nfs/dbraw/zinc/63/96/34/806639634.db2.gz YIWBXRAGOLWRLZ-AXFHLTTASA-N 2 1 268.361 -0.950 20 0 CBADMP CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086052322 806640831 /nfs/dbraw/zinc/64/08/31/806640831.db2.gz HQAHZUBAPUWXJG-TUAOUCFPSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086052322 806640832 /nfs/dbraw/zinc/64/08/32/806640832.db2.gz HQAHZUBAPUWXJG-TUAOUCFPSA-N 2 1 255.362 -0.179 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022793514 798842260 /nfs/dbraw/zinc/84/22/60/798842260.db2.gz DDLQHPUWQIMLEO-PHIMTYICSA-N 2 1 293.371 -0.271 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001022838388 798843491 /nfs/dbraw/zinc/84/34/91/798843491.db2.gz MNXUATOKEDRXLT-QNWHQSFQSA-N 2 1 294.399 -0.275 20 0 CBADMP O=C(N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1)C12CC[NH+](CC1)C2 ZINC001022981315 798872213 /nfs/dbraw/zinc/87/22/13/798872213.db2.gz JUFDYRKLPDHVAB-PHIMTYICSA-N 2 1 291.355 -0.098 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1)C(N)=O ZINC001023029616 798874879 /nfs/dbraw/zinc/87/48/79/798874879.db2.gz CSBCOSLMXPPPGP-FJJYHAOUSA-N 2 1 294.399 -0.417 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001023086669 798879306 /nfs/dbraw/zinc/87/93/06/798879306.db2.gz SZASUUBNTYJYKE-WYUUTHIRSA-N 2 1 282.388 -0.561 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001023084272 798879969 /nfs/dbraw/zinc/87/99/69/798879969.db2.gz MGFXMIQPCDJXIH-SDDRHHMPSA-N 2 1 292.387 -0.496 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023084272 798879972 /nfs/dbraw/zinc/87/99/72/798879972.db2.gz MGFXMIQPCDJXIH-SDDRHHMPSA-N 2 1 292.387 -0.496 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001023083886 798880350 /nfs/dbraw/zinc/88/03/50/798880350.db2.gz CGLUCNZFXSIBJV-YTWAJWBKSA-N 2 1 268.361 -0.951 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001023086335 798880490 /nfs/dbraw/zinc/88/04/90/798880490.db2.gz IKLWJSLLCJWZFC-RWMBFGLXSA-N 2 1 292.387 -0.533 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001023091297 798881765 /nfs/dbraw/zinc/88/17/65/798881765.db2.gz TYPDOAVMPMRQCT-TUAOUCFPSA-N 2 1 291.355 -0.683 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001023273146 798896679 /nfs/dbraw/zinc/89/66/79/798896679.db2.gz JSDAQGGZSANTSP-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001023273146 798896685 /nfs/dbraw/zinc/89/66/85/798896685.db2.gz JSDAQGGZSANTSP-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001023273146 798896690 /nfs/dbraw/zinc/89/66/90/798896690.db2.gz JSDAQGGZSANTSP-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC001023292606 798897503 /nfs/dbraw/zinc/89/75/03/798897503.db2.gz YPKVNWRFGSXTJQ-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC001023292606 798897508 /nfs/dbraw/zinc/89/75/08/798897508.db2.gz YPKVNWRFGSXTJQ-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC001023292606 798897512 /nfs/dbraw/zinc/89/75/12/798897512.db2.gz YPKVNWRFGSXTJQ-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC001023292606 798897516 /nfs/dbraw/zinc/89/75/16/798897516.db2.gz YPKVNWRFGSXTJQ-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023744100 798919706 /nfs/dbraw/zinc/91/97/06/798919706.db2.gz INKWJDCYODRQPL-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023744100 798919708 /nfs/dbraw/zinc/91/97/08/798919708.db2.gz INKWJDCYODRQPL-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023744100 798919712 /nfs/dbraw/zinc/91/97/12/798919712.db2.gz INKWJDCYODRQPL-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP 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 798971657 /nfs/dbraw/zinc/97/16/57/798971657.db2.gz IBCZPPDLIUJKAD-FHUSYTEZSA-N 2 1 294.399 -0.609 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001025707991 798971664 /nfs/dbraw/zinc/97/16/64/798971664.db2.gz IBCZPPDLIUJKAD-FHUSYTEZSA-N 2 1 294.399 -0.609 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001025707991 798971671 /nfs/dbraw/zinc/97/16/71/798971671.db2.gz IBCZPPDLIUJKAD-FHUSYTEZSA-N 2 1 294.399 -0.609 20 0 CBADMP 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 798971971 /nfs/dbraw/zinc/97/19/71/798971971.db2.gz FCKCCKMHBQAIPP-FHUSYTEZSA-N 2 1 292.383 -0.985 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025707967 798971978 /nfs/dbraw/zinc/97/19/78/798971978.db2.gz FCKCCKMHBQAIPP-FHUSYTEZSA-N 2 1 292.383 -0.985 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025707967 798971986 /nfs/dbraw/zinc/97/19/86/798971986.db2.gz FCKCCKMHBQAIPP-FHUSYTEZSA-N 2 1 292.383 -0.985 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001025708336 798972277 /nfs/dbraw/zinc/97/22/77/798972277.db2.gz PGOZZTKUSNBVOX-KIJLLGNVSA-N 2 1 294.399 -0.739 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001025708336 798972269 /nfs/dbraw/zinc/97/22/69/798972269.db2.gz PGOZZTKUSNBVOX-KIJLLGNVSA-N 2 1 294.399 -0.739 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001025708336 798972274 /nfs/dbraw/zinc/97/22/74/798972274.db2.gz PGOZZTKUSNBVOX-KIJLLGNVSA-N 2 1 294.399 -0.739 20 0 CBADMP COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719834 798972365 /nfs/dbraw/zinc/97/23/65/798972365.db2.gz ITIJORLWPXKUEO-RGDJUOJXSA-N 2 1 297.399 -0.602 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719834 798972368 /nfs/dbraw/zinc/97/23/68/798972368.db2.gz ITIJORLWPXKUEO-RGDJUOJXSA-N 2 1 297.399 -0.602 20 0 CBADMP COC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001025719834 798972372 /nfs/dbraw/zinc/97/23/72/798972372.db2.gz ITIJORLWPXKUEO-RGDJUOJXSA-N 2 1 297.399 -0.602 20 0 CBADMP COC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001025719834 798972375 /nfs/dbraw/zinc/97/23/75/798972375.db2.gz ITIJORLWPXKUEO-RGDJUOJXSA-N 2 1 297.399 -0.602 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001025787214 798976761 /nfs/dbraw/zinc/97/67/61/798976761.db2.gz AROKOIFXSCBENA-OLOXDWRXSA-N 2 1 293.411 -0.245 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001025820384 798978241 /nfs/dbraw/zinc/97/82/41/798978241.db2.gz USFJTXULTKEBAN-IEECTRCBSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001025820384 798978243 /nfs/dbraw/zinc/97/82/43/798978243.db2.gz USFJTXULTKEBAN-IEECTRCBSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001025820384 798978247 /nfs/dbraw/zinc/97/82/47/798978247.db2.gz USFJTXULTKEBAN-IEECTRCBSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001025820384 798978248 /nfs/dbraw/zinc/97/82/48/798978248.db2.gz USFJTXULTKEBAN-IEECTRCBSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001026140345 798990736 /nfs/dbraw/zinc/99/07/36/798990736.db2.gz HWEXHSMRLWBCNX-MOWSAHLDSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001026140345 798990739 /nfs/dbraw/zinc/99/07/39/798990739.db2.gz HWEXHSMRLWBCNX-MOWSAHLDSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001026140345 798990744 /nfs/dbraw/zinc/99/07/44/798990744.db2.gz HWEXHSMRLWBCNX-MOWSAHLDSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001026140345 798990747 /nfs/dbraw/zinc/99/07/47/798990747.db2.gz HWEXHSMRLWBCNX-MOWSAHLDSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001026143010 798991244 /nfs/dbraw/zinc/99/12/44/798991244.db2.gz GXIGPXQHWDTTKK-JAAXMTQOSA-N 2 1 293.411 -0.101 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001026143010 798991251 /nfs/dbraw/zinc/99/12/51/798991251.db2.gz GXIGPXQHWDTTKK-JAAXMTQOSA-N 2 1 293.411 -0.101 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001026143010 798991256 /nfs/dbraw/zinc/99/12/56/798991256.db2.gz GXIGPXQHWDTTKK-JAAXMTQOSA-N 2 1 293.411 -0.101 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026592438 799010697 /nfs/dbraw/zinc/01/06/97/799010697.db2.gz ASFCWWCAQFUVIG-PNESKVBLSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027652326 799061831 /nfs/dbraw/zinc/06/18/31/799061831.db2.gz QCOFHVRPDJKSLF-LBPRGKRZSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027652326 799061834 /nfs/dbraw/zinc/06/18/34/799061834.db2.gz QCOFHVRPDJKSLF-LBPRGKRZSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680781 799064113 /nfs/dbraw/zinc/06/41/13/799064113.db2.gz JIAQLHQOOFUSRS-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680781 799064118 /nfs/dbraw/zinc/06/41/18/799064118.db2.gz JIAQLHQOOFUSRS-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027680781 799064122 /nfs/dbraw/zinc/06/41/22/799064122.db2.gz JIAQLHQOOFUSRS-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027680781 799064125 /nfs/dbraw/zinc/06/41/25/799064125.db2.gz JIAQLHQOOFUSRS-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCO ZINC001027789320 799079337 /nfs/dbraw/zinc/07/93/37/799079337.db2.gz HFHKRHFDPUJYFW-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCO ZINC001027789320 799079344 /nfs/dbraw/zinc/07/93/44/799079344.db2.gz HFHKRHFDPUJYFW-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001027789320 799079352 /nfs/dbraw/zinc/07/93/52/799079352.db2.gz HFHKRHFDPUJYFW-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028117668 799110323 /nfs/dbraw/zinc/11/03/23/799110323.db2.gz ROFBEJDOEQFKRJ-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028117668 799110326 /nfs/dbraw/zinc/11/03/26/799110326.db2.gz ROFBEJDOEQFKRJ-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001028118456 799111148 /nfs/dbraw/zinc/11/11/48/799111148.db2.gz ZXXBXGIOQBJEDL-LBPRGKRZSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001028118456 799111149 /nfs/dbraw/zinc/11/11/49/799111149.db2.gz ZXXBXGIOQBJEDL-LBPRGKRZSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028265806 799119372 /nfs/dbraw/zinc/11/93/72/799119372.db2.gz KMDCJRJDUWYGEO-NWDGAFQWSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028265806 799119376 /nfs/dbraw/zinc/11/93/76/799119376.db2.gz KMDCJRJDUWYGEO-NWDGAFQWSA-N 2 1 294.399 -0.463 20 0 CBADMP CN(C)C(=O)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028313943 799120890 /nfs/dbraw/zinc/12/08/90/799120890.db2.gz DERWWKQLVPSGRG-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028313943 799120893 /nfs/dbraw/zinc/12/08/93/799120893.db2.gz DERWWKQLVPSGRG-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028313943 799120897 /nfs/dbraw/zinc/12/08/97/799120897.db2.gz DERWWKQLVPSGRG-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001028313943 799120903 /nfs/dbraw/zinc/12/09/03/799120903.db2.gz DERWWKQLVPSGRG-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028313943 799120905 /nfs/dbraw/zinc/12/09/05/799120905.db2.gz DERWWKQLVPSGRG-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)CN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028314838 799122707 /nfs/dbraw/zinc/12/27/07/799122707.db2.gz DZBXIWDKZILOFA-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028314838 799122710 /nfs/dbraw/zinc/12/27/10/799122710.db2.gz DZBXIWDKZILOFA-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028314838 799122713 /nfs/dbraw/zinc/12/27/13/799122713.db2.gz DZBXIWDKZILOFA-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028314838 799122717 /nfs/dbraw/zinc/12/27/17/799122717.db2.gz DZBXIWDKZILOFA-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028314838 799122720 /nfs/dbraw/zinc/12/27/20/799122720.db2.gz DZBXIWDKZILOFA-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2CC(N)=O)C1 ZINC001028315311 799123576 /nfs/dbraw/zinc/12/35/76/799123576.db2.gz HUBACRZHOZSERX-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)C1 ZINC001028315311 799123581 /nfs/dbraw/zinc/12/35/81/799123581.db2.gz HUBACRZHOZSERX-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)C1 ZINC001028315311 799123583 /nfs/dbraw/zinc/12/35/83/799123583.db2.gz HUBACRZHOZSERX-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001028315311 799123587 /nfs/dbraw/zinc/12/35/87/799123587.db2.gz HUBACRZHOZSERX-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001028315311 799123590 /nfs/dbraw/zinc/12/35/90/799123590.db2.gz HUBACRZHOZSERX-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447095 799138002 /nfs/dbraw/zinc/13/80/02/799138002.db2.gz LUZANUXQKWEVOE-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001028447095 799138003 /nfs/dbraw/zinc/13/80/03/799138003.db2.gz LUZANUXQKWEVOE-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001028447095 799138006 /nfs/dbraw/zinc/13/80/06/799138006.db2.gz LUZANUXQKWEVOE-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001028462045 799139752 /nfs/dbraw/zinc/13/97/52/799139752.db2.gz XAZPLSFLVVIBLX-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001028462045 799139758 /nfs/dbraw/zinc/13/97/58/799139758.db2.gz XAZPLSFLVVIBLX-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001028462045 799139762 /nfs/dbraw/zinc/13/97/62/799139762.db2.gz XAZPLSFLVVIBLX-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001028462045 799139767 /nfs/dbraw/zinc/13/97/67/799139767.db2.gz XAZPLSFLVVIBLX-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP COCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461188 799140791 /nfs/dbraw/zinc/14/07/91/799140791.db2.gz LYJDPIHNGSWCCT-OLZOCXBDSA-N 2 1 285.388 -0.599 20 0 CBADMP COCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461188 799140794 /nfs/dbraw/zinc/14/07/94/799140794.db2.gz LYJDPIHNGSWCCT-OLZOCXBDSA-N 2 1 285.388 -0.599 20 0 CBADMP COCC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028461188 799140799 /nfs/dbraw/zinc/14/07/99/799140799.db2.gz LYJDPIHNGSWCCT-OLZOCXBDSA-N 2 1 285.388 -0.599 20 0 CBADMP COCC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028461188 799140803 /nfs/dbraw/zinc/14/08/03/799140803.db2.gz LYJDPIHNGSWCCT-OLZOCXBDSA-N 2 1 285.388 -0.599 20 0 CBADMP NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028546331 799151916 /nfs/dbraw/zinc/15/19/16/799151916.db2.gz ZEBNVPNOTCZRTI-YPMHNXCESA-N 2 1 294.399 -0.748 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549480 799152070 /nfs/dbraw/zinc/15/20/70/799152070.db2.gz RAUCGWZNIQHEKX-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028549480 799152073 /nfs/dbraw/zinc/15/20/73/799152073.db2.gz RAUCGWZNIQHEKX-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028549480 799152076 /nfs/dbraw/zinc/15/20/76/799152076.db2.gz RAUCGWZNIQHEKX-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CCCO)C2)O1 ZINC001028629808 799156540 /nfs/dbraw/zinc/15/65/40/799156540.db2.gz SXKQERWXLMWXMX-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CCCO)C2)O1 ZINC001028629808 799156544 /nfs/dbraw/zinc/15/65/44/799156544.db2.gz SXKQERWXLMWXMX-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](CCCO)C2)O1 ZINC001028629808 799156548 /nfs/dbraw/zinc/15/65/48/799156548.db2.gz SXKQERWXLMWXMX-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)O1 ZINC001028629808 799156551 /nfs/dbraw/zinc/15/65/51/799156551.db2.gz SXKQERWXLMWXMX-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](CCCO)C1)C12CC[NH+](CC1)C2 ZINC001028930200 799181715 /nfs/dbraw/zinc/18/17/15/799181715.db2.gz BBJSMTHNYNAGAX-ZDUSSCGKSA-N 2 1 281.400 -0.097 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001028997792 799186077 /nfs/dbraw/zinc/18/60/77/799186077.db2.gz ZVIFTCKQTNYNEM-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001028997792 799186080 /nfs/dbraw/zinc/18/60/80/799186080.db2.gz ZVIFTCKQTNYNEM-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001028997792 799186083 /nfs/dbraw/zinc/18/60/83/799186083.db2.gz ZVIFTCKQTNYNEM-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001028997792 799186086 /nfs/dbraw/zinc/18/60/86/799186086.db2.gz ZVIFTCKQTNYNEM-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP O=C(N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)C12CC[NH+](CC1)C2 ZINC001029555464 799202731 /nfs/dbraw/zinc/20/27/31/799202731.db2.gz SZOYGSAJVHJRCX-BETUJISGSA-N 2 1 279.384 -0.250 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCCO)C1 ZINC001029584024 799202801 /nfs/dbraw/zinc/20/28/01/799202801.db2.gz MKEXNDKBEBTIQU-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCCO)C1 ZINC001029584024 799202806 /nfs/dbraw/zinc/20/28/06/799202806.db2.gz MKEXNDKBEBTIQU-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)C1 ZINC001029584024 799202809 /nfs/dbraw/zinc/20/28/09/799202809.db2.gz MKEXNDKBEBTIQU-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029552770 799202831 /nfs/dbraw/zinc/20/28/31/799202831.db2.gz CVKUMIGLOLEHTH-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001029552770 799202836 /nfs/dbraw/zinc/20/28/36/799202836.db2.gz CVKUMIGLOLEHTH-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001029552770 799202842 /nfs/dbraw/zinc/20/28/42/799202842.db2.gz CVKUMIGLOLEHTH-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP CC[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001030020197 799211578 /nfs/dbraw/zinc/21/15/78/799211578.db2.gz XPBPAEOXZOHVGX-RWMBFGLXSA-N 2 1 296.415 -0.075 20 0 CBADMP CN1CCO[C@H](C(=O)NC2C[NH+](CC[C@H]3CCOC3)C2)C1 ZINC001030185101 799260549 /nfs/dbraw/zinc/26/05/49/799260549.db2.gz ZMHHMLCQTRKGOJ-JSGCOSHPSA-N 2 1 297.399 -0.456 20 0 CBADMP O=C(NC1C[NH+](C[C@@H]2CCOC2)C1)C12CC[NH+](CC1)C2 ZINC001031263107 799466428 /nfs/dbraw/zinc/46/64/28/799466428.db2.gz DRYDWINESTUGSQ-LBPRGKRZSA-N 2 1 279.384 -0.081 20 0 CBADMP O=C(NC1C[NH+](C[C@H]2CCOC2)C1)C12CC[NH+](CC1)C2 ZINC001031263106 799466453 /nfs/dbraw/zinc/46/64/53/799466453.db2.gz DRYDWINESTUGSQ-GFCCVEGCSA-N 2 1 279.384 -0.081 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001031384821 799480890 /nfs/dbraw/zinc/48/08/90/799480890.db2.gz NDLAQBLQHKCXRJ-NEPJUHHUSA-N 2 1 267.373 -0.225 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031584614 799513443 /nfs/dbraw/zinc/51/34/43/799513443.db2.gz GZIHIQLZBWFVOC-NEPJUHHUSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031584614 799513447 /nfs/dbraw/zinc/51/34/47/799513447.db2.gz GZIHIQLZBWFVOC-NEPJUHHUSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031584616 799513685 /nfs/dbraw/zinc/51/36/85/799513685.db2.gz GZIHIQLZBWFVOC-RYUDHWBXSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031584616 799513688 /nfs/dbraw/zinc/51/36/88/799513688.db2.gz GZIHIQLZBWFVOC-RYUDHWBXSA-N 2 1 282.388 -0.608 20 0 CBADMP CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031593325 799515853 /nfs/dbraw/zinc/51/58/53/799515853.db2.gz DAMZRPRZYXIXGM-LBPRGKRZSA-N 2 1 255.362 -0.225 20 0 CBADMP CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031593325 799515857 /nfs/dbraw/zinc/51/58/57/799515857.db2.gz DAMZRPRZYXIXGM-LBPRGKRZSA-N 2 1 255.362 -0.225 20 0 CBADMP CO[C@@H](C)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031596877 799517123 /nfs/dbraw/zinc/51/71/23/799517123.db2.gz RFFOKXBNPQAAFZ-WCQYABFASA-N 2 1 285.388 -0.600 20 0 CBADMP CO[C@@H](C)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031596877 799517124 /nfs/dbraw/zinc/51/71/24/799517124.db2.gz RFFOKXBNPQAAFZ-WCQYABFASA-N 2 1 285.388 -0.600 20 0 CBADMP O=C(NCC1C[NH+](CCO)C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031669639 799531054 /nfs/dbraw/zinc/53/10/54/799531054.db2.gz PUPTZKFESMMGAT-KBPBESRZSA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCO)C2)CC[N@H+]1C ZINC001031681290 799532321 /nfs/dbraw/zinc/53/23/21/799532321.db2.gz MAIIFGRHTNCSPY-ZYHUDNBSSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681658 799532615 /nfs/dbraw/zinc/53/26/15/799532615.db2.gz DFJGYDNOAXJXOY-NQBHXWOUSA-N 2 1 269.389 -0.245 20 0 CBADMP CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031688947 799533694 /nfs/dbraw/zinc/53/36/94/799533694.db2.gz OILBZQODFMZULL-CHWSQXEVSA-N 2 1 267.373 -0.083 20 0 CBADMP CO[C@@H](C)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765104 799542577 /nfs/dbraw/zinc/54/25/77/799542577.db2.gz AMVAQEHAQJNWGW-OUCADQQQSA-N 2 1 299.415 -0.212 20 0 CBADMP CO[C@@H](C)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765104 799542579 /nfs/dbraw/zinc/54/25/79/799542579.db2.gz AMVAQEHAQJNWGW-OUCADQQQSA-N 2 1 299.415 -0.212 20 0 CBADMP CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856875 799552313 /nfs/dbraw/zinc/55/23/13/799552313.db2.gz LADFTCXEXFRXEP-GLWUULTISA-N 2 1 279.384 -0.083 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031977081 799567918 /nfs/dbraw/zinc/56/79/18/799567918.db2.gz WDJASBVIALNGIQ-PWSUYJOCSA-N 2 1 255.362 -0.776 20 0 CBADMP CN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001032186164 799590738 /nfs/dbraw/zinc/59/07/38/799590738.db2.gz JKRIXLZPHGEBPU-STQMWFEESA-N 2 1 294.399 -0.783 20 0 CBADMP CN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001032186164 799590743 /nfs/dbraw/zinc/59/07/43/799590743.db2.gz JKRIXLZPHGEBPU-STQMWFEESA-N 2 1 294.399 -0.783 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCOC)C2)C1 ZINC001032196676 799592039 /nfs/dbraw/zinc/59/20/39/799592039.db2.gz ADMXUDYWIIESNH-CYBMUJFWSA-N 2 1 285.388 -0.599 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCOC)C2)C1 ZINC001032196676 799592041 /nfs/dbraw/zinc/59/20/41/799592041.db2.gz ADMXUDYWIIESNH-CYBMUJFWSA-N 2 1 285.388 -0.599 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186931 799592598 /nfs/dbraw/zinc/59/25/98/799592598.db2.gz ZLTAHUVHHJKPPS-VXGBXAGGSA-N 2 1 282.388 -0.750 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186931 799592601 /nfs/dbraw/zinc/59/26/01/799592601.db2.gz ZLTAHUVHHJKPPS-VXGBXAGGSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)CC[N@@H+]1C ZINC001032411394 799625852 /nfs/dbraw/zinc/62/58/52/799625852.db2.gz NHAXNMBWFDCHEC-MROQNXINSA-N 2 1 267.373 -0.396 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)CC[N@H+]1C ZINC001032411394 799625855 /nfs/dbraw/zinc/62/58/55/799625855.db2.gz NHAXNMBWFDCHEC-MROQNXINSA-N 2 1 267.373 -0.396 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)CC[NH+]1C ZINC001032411394 799625863 /nfs/dbraw/zinc/62/58/63/799625863.db2.gz NHAXNMBWFDCHEC-MROQNXINSA-N 2 1 267.373 -0.396 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)CC[NH+]1C ZINC001032411394 799625867 /nfs/dbraw/zinc/62/58/67/799625867.db2.gz NHAXNMBWFDCHEC-MROQNXINSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)CC1 ZINC001032603249 799647997 /nfs/dbraw/zinc/64/79/97/799647997.db2.gz TVZNMAUPZLRJNO-KBPBESRZSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)CC1 ZINC001032603259 799648383 /nfs/dbraw/zinc/64/83/83/799648383.db2.gz UCYMPGXMJWIVBC-STQMWFEESA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)CC1 ZINC001032603259 799648385 /nfs/dbraw/zinc/64/83/85/799648385.db2.gz UCYMPGXMJWIVBC-STQMWFEESA-N 2 1 267.373 -0.394 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032781336 799667497 /nfs/dbraw/zinc/66/74/97/799667497.db2.gz RBDBHLCMVYOSBU-AVGNSLFASA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)C1 ZINC001032781336 799667499 /nfs/dbraw/zinc/66/74/99/799667499.db2.gz RBDBHLCMVYOSBU-AVGNSLFASA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)C1 ZINC001032781336 799667503 /nfs/dbraw/zinc/66/75/03/799667503.db2.gz RBDBHLCMVYOSBU-AVGNSLFASA-N 2 1 267.373 -0.394 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592006 799769710 /nfs/dbraw/zinc/76/97/10/799769710.db2.gz DSDCZESPRJASHH-LBPRGKRZSA-N 2 1 294.399 -0.639 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592006 799769714 /nfs/dbraw/zinc/76/97/14/799769714.db2.gz DSDCZESPRJASHH-LBPRGKRZSA-N 2 1 294.399 -0.639 20 0 CBADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033595743 799769998 /nfs/dbraw/zinc/76/99/98/799769998.db2.gz UWFVGKSDVNHVIM-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCO)C1 ZINC001033595743 799770000 /nfs/dbraw/zinc/77/00/00/799770000.db2.gz UWFVGKSDVNHVIM-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCO)C1 ZINC001033595743 799770004 /nfs/dbraw/zinc/77/00/04/799770004.db2.gz UWFVGKSDVNHVIM-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033596464 799771606 /nfs/dbraw/zinc/77/16/06/799771606.db2.gz ZSXKFKXUUCDXRI-OLZOCXBDSA-N 2 1 281.400 -0.004 20 0 CBADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033664273 799777612 /nfs/dbraw/zinc/77/76/12/799777612.db2.gz FAFXFVKJJUXHMD-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001033671829 799778193 /nfs/dbraw/zinc/77/81/93/799778193.db2.gz JYQJGLPPPJBQHH-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCCO)C2)C1 ZINC001033671829 799778178 /nfs/dbraw/zinc/77/81/78/799778178.db2.gz JYQJGLPPPJBQHH-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCCO)C2)C1 ZINC001033671829 799778184 /nfs/dbraw/zinc/77/81/84/799778184.db2.gz JYQJGLPPPJBQHH-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001033671829 799778187 /nfs/dbraw/zinc/77/81/87/799778187.db2.gz JYQJGLPPPJBQHH-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033659705 799778583 /nfs/dbraw/zinc/77/85/83/799778583.db2.gz FLYPRICLOFEJQZ-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033659705 799778586 /nfs/dbraw/zinc/77/85/86/799778586.db2.gz FLYPRICLOFEJQZ-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033659705 799778589 /nfs/dbraw/zinc/77/85/89/799778589.db2.gz FLYPRICLOFEJQZ-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033659705 799778592 /nfs/dbraw/zinc/77/85/92/799778592.db2.gz FLYPRICLOFEJQZ-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCO)C2)C1 ZINC001033673265 799780009 /nfs/dbraw/zinc/78/00/09/799780009.db2.gz WRLQXBPFTWKEBG-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](CCO)C2)C1 ZINC001033673265 799780006 /nfs/dbraw/zinc/78/00/06/799780006.db2.gz WRLQXBPFTWKEBG-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](CCO)C2)C1 ZINC001033673265 799780007 /nfs/dbraw/zinc/78/00/07/799780007.db2.gz WRLQXBPFTWKEBG-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001033673265 799780011 /nfs/dbraw/zinc/78/00/11/799780011.db2.gz WRLQXBPFTWKEBG-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CCO)C2)C1 ZINC001034523968 799844711 /nfs/dbraw/zinc/84/47/11/799844711.db2.gz CVDBOLNBIVRWCC-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@H+](CCO)C2)C1 ZINC001034523968 799844718 /nfs/dbraw/zinc/84/47/18/799844718.db2.gz CVDBOLNBIVRWCC-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCO)C2)C1 ZINC001034523968 799844723 /nfs/dbraw/zinc/84/47/23/799844723.db2.gz CVDBOLNBIVRWCC-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](CCO)C2)C1 ZINC001034531058 799845990 /nfs/dbraw/zinc/84/59/90/799845990.db2.gz CXEUPZPBPAYYFW-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](CCO)C2)C1 ZINC001034531058 799845995 /nfs/dbraw/zinc/84/59/95/799845995.db2.gz CXEUPZPBPAYYFW-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCO)C2)C1 ZINC001034531058 799846002 /nfs/dbraw/zinc/84/60/02/799846002.db2.gz CXEUPZPBPAYYFW-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)C1 ZINC001034531058 799846005 /nfs/dbraw/zinc/84/60/05/799846005.db2.gz CXEUPZPBPAYYFW-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001034606923 799848044 /nfs/dbraw/zinc/84/80/44/799848044.db2.gz IBCUXNKNAJUYAF-CYDGBPFRSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034736596 799854281 /nfs/dbraw/zinc/85/42/81/799854281.db2.gz XTPCSNUPTBLJEG-AVGNSLFASA-N 2 1 296.415 -0.027 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)C1 ZINC001034792915 799855545 /nfs/dbraw/zinc/85/55/45/799855545.db2.gz OSCNWGXKBCIEPN-JHJVBQTASA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035493112 799934366 /nfs/dbraw/zinc/93/43/66/799934366.db2.gz ZBTQPZQKKXGWHO-JSGCOSHPSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035493112 799934371 /nfs/dbraw/zinc/93/43/71/799934371.db2.gz ZBTQPZQKKXGWHO-JSGCOSHPSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1[NH2+]CCO ZINC001036219327 799984120 /nfs/dbraw/zinc/98/41/20/799984120.db2.gz PSSFHCIBLIXXKV-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001036294478 799986137 /nfs/dbraw/zinc/98/61/37/799986137.db2.gz RIRDHASESVTYMV-ZYHUDNBSSA-N 2 1 293.371 -0.497 20 0 CBADMP NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036895787 800011513 /nfs/dbraw/zinc/01/15/13/800011513.db2.gz DPNXCBNHQWQXTM-CHWSQXEVSA-N 2 1 294.399 -0.510 20 0 CBADMP CN1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCCF)C1 ZINC001038137281 800061189 /nfs/dbraw/zinc/06/11/89/800061189.db2.gz OWSYURIPZACLPH-NWDGAFQWSA-N 2 1 273.352 -0.133 20 0 CBADMP CN1CCO[C@@H](C(=O)NC[C@@H]2CCN2CCCF)C1 ZINC001038137281 800061198 /nfs/dbraw/zinc/06/11/98/800061198.db2.gz OWSYURIPZACLPH-NWDGAFQWSA-N 2 1 273.352 -0.133 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+]2CCO)CC[N@@H+]1C ZINC001038629529 801228933 /nfs/dbraw/zinc/22/89/33/801228933.db2.gz HQUUYKTUKRQWJT-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+]2CCO)CC[N@H+]1C ZINC001038629529 801228942 /nfs/dbraw/zinc/22/89/42/801228942.db2.gz HQUUYKTUKRQWJT-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCO)CC[NH+]1C ZINC001038629529 801228947 /nfs/dbraw/zinc/22/89/47/801228947.db2.gz HQUUYKTUKRQWJT-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCO)CC[NH+]1C ZINC001038629529 801228954 /nfs/dbraw/zinc/22/89/54/801228954.db2.gz HQUUYKTUKRQWJT-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCCO)CC1 ZINC001038671461 801236010 /nfs/dbraw/zinc/23/60/10/801236010.db2.gz QCELHMOZOGGLRS-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038927687 801268848 /nfs/dbraw/zinc/26/88/48/801268848.db2.gz YZLJESFJMGGPST-RYUDHWBXSA-N 2 1 267.373 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001041141926 801368727 /nfs/dbraw/zinc/36/87/27/801368727.db2.gz RRVODYSFGVLBFJ-IUODEOHRSA-N 2 1 294.399 -0.510 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001041141926 801368733 /nfs/dbraw/zinc/36/87/33/801368733.db2.gz RRVODYSFGVLBFJ-IUODEOHRSA-N 2 1 294.399 -0.510 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001041141926 801368742 /nfs/dbraw/zinc/36/87/42/801368742.db2.gz RRVODYSFGVLBFJ-IUODEOHRSA-N 2 1 294.399 -0.510 20 0 CBADMP NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041835749 801422837 /nfs/dbraw/zinc/42/28/37/801422837.db2.gz WNQJCAWMWUKLHU-HNNXBMFYSA-N 2 1 294.399 -0.508 20 0 CBADMP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001042731703 801515223 /nfs/dbraw/zinc/51/52/23/801515223.db2.gz QJCLVORTFNKHDY-SMDDNHRTSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001042747028 801516469 /nfs/dbraw/zinc/51/64/69/801516469.db2.gz YWHODCQLSOCDGO-NQBHXWOUSA-N 2 1 269.389 -0.150 20 0 CBADMP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001042747028 801516473 /nfs/dbraw/zinc/51/64/73/801516473.db2.gz YWHODCQLSOCDGO-NQBHXWOUSA-N 2 1 269.389 -0.150 20 0 CBADMP C[C@H](O)C[NH+]1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001043740791 801589493 /nfs/dbraw/zinc/58/94/93/801589493.db2.gz KCCPQLCZHZUJPB-NSHDSACASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044629684 801660907 /nfs/dbraw/zinc/66/09/07/801660907.db2.gz ONYPWUDOSUYZFF-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001045389076 801693404 /nfs/dbraw/zinc/69/34/04/801693404.db2.gz FUIQDUQQXQEXMW-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001045385071 801693924 /nfs/dbraw/zinc/69/39/24/801693924.db2.gz CKRZSOJJFICTSD-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001045385071 801693932 /nfs/dbraw/zinc/69/39/32/801693932.db2.gz CKRZSOJJFICTSD-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001045389083 801694156 /nfs/dbraw/zinc/69/41/56/801694156.db2.gz FUIQDUQQXQEXMW-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001045557670 801704925 /nfs/dbraw/zinc/70/49/25/801704925.db2.gz RJPPXZHJQYFKEJ-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001045557670 801704930 /nfs/dbraw/zinc/70/49/30/801704930.db2.gz RJPPXZHJQYFKEJ-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCO)C1 ZINC001046197857 801739343 /nfs/dbraw/zinc/73/93/43/801739343.db2.gz RSRBTTDPVHIQEZ-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCO)C1 ZINC001046197857 801739346 /nfs/dbraw/zinc/73/93/46/801739346.db2.gz RSRBTTDPVHIQEZ-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001046197857 801739351 /nfs/dbraw/zinc/73/93/51/801739351.db2.gz RSRBTTDPVHIQEZ-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)O1 ZINC001046415641 801762191 /nfs/dbraw/zinc/76/21/91/801762191.db2.gz PYVURKFYZWDRAV-YRGRVCCFSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)O1 ZINC001046415641 801762197 /nfs/dbraw/zinc/76/21/97/801762197.db2.gz PYVURKFYZWDRAV-YRGRVCCFSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@H+](CCO)C2)O1 ZINC001046415641 801762202 /nfs/dbraw/zinc/76/22/02/801762202.db2.gz PYVURKFYZWDRAV-YRGRVCCFSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)O1 ZINC001046415641 801762208 /nfs/dbraw/zinc/76/22/08/801762208.db2.gz PYVURKFYZWDRAV-YRGRVCCFSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046589279 801777806 /nfs/dbraw/zinc/77/78/06/801777806.db2.gz ZIMSNYYBPNREFI-NHYWBVRUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046589279 801777811 /nfs/dbraw/zinc/77/78/11/801777811.db2.gz ZIMSNYYBPNREFI-NHYWBVRUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046776292 801793299 /nfs/dbraw/zinc/79/32/99/801793299.db2.gz CUFJTINQEVSMQT-RISCZKNCSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046776292 801793302 /nfs/dbraw/zinc/79/33/02/801793302.db2.gz CUFJTINQEVSMQT-RISCZKNCSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046846316 801798007 /nfs/dbraw/zinc/79/80/07/801798007.db2.gz SRLOPDSOXSGBIJ-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046846316 801798012 /nfs/dbraw/zinc/79/80/12/801798012.db2.gz SRLOPDSOXSGBIJ-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCCO)C2)C1 ZINC001046846316 801798017 /nfs/dbraw/zinc/79/80/17/801798017.db2.gz SRLOPDSOXSGBIJ-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCO)C2)C1 ZINC001046846316 801798019 /nfs/dbraw/zinc/79/80/19/801798019.db2.gz SRLOPDSOXSGBIJ-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047324278 801834749 /nfs/dbraw/zinc/83/47/49/801834749.db2.gz MRJWMSKYVXKBLS-WOPDTQHZSA-N 2 1 255.362 -0.396 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001047324278 801834752 /nfs/dbraw/zinc/83/47/52/801834752.db2.gz MRJWMSKYVXKBLS-WOPDTQHZSA-N 2 1 255.362 -0.396 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047324278 801834759 /nfs/dbraw/zinc/83/47/59/801834759.db2.gz MRJWMSKYVXKBLS-WOPDTQHZSA-N 2 1 255.362 -0.396 20 0 CBADMP CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001047324467 801835286 /nfs/dbraw/zinc/83/52/86/801835286.db2.gz PXXKGBHHYOJCOA-AVGNSLFASA-N 2 1 269.389 -0.008 20 0 CBADMP CC(C)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001047324467 801835291 /nfs/dbraw/zinc/83/52/91/801835291.db2.gz PXXKGBHHYOJCOA-AVGNSLFASA-N 2 1 269.389 -0.008 20 0 CBADMP CC(C)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001047324467 801835294 /nfs/dbraw/zinc/83/52/94/801835294.db2.gz PXXKGBHHYOJCOA-AVGNSLFASA-N 2 1 269.389 -0.008 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047380157 801857348 /nfs/dbraw/zinc/85/73/48/801857348.db2.gz DFWCWRJYJRHJRM-IHRRRGAJSA-N 2 1 299.415 -0.645 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047380157 801857354 /nfs/dbraw/zinc/85/73/54/801857354.db2.gz DFWCWRJYJRHJRM-IHRRRGAJSA-N 2 1 299.415 -0.645 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047380157 801857359 /nfs/dbraw/zinc/85/73/59/801857359.db2.gz DFWCWRJYJRHJRM-IHRRRGAJSA-N 2 1 299.415 -0.645 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047380157 801857365 /nfs/dbraw/zinc/85/73/65/801857365.db2.gz DFWCWRJYJRHJRM-IHRRRGAJSA-N 2 1 299.415 -0.645 20 0 CBADMP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001047428574 801869883 /nfs/dbraw/zinc/86/98/83/801869883.db2.gz DTAABCORWKGQIC-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001047428574 801869886 /nfs/dbraw/zinc/86/98/86/801869886.db2.gz DTAABCORWKGQIC-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001047428574 801869892 /nfs/dbraw/zinc/86/98/92/801869892.db2.gz DTAABCORWKGQIC-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001047428574 801869896 /nfs/dbraw/zinc/86/98/96/801869896.db2.gz DTAABCORWKGQIC-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001047493556 801885311 /nfs/dbraw/zinc/88/53/11/801885311.db2.gz NFAUJKXBBBDXDW-XUXIUFHCSA-N 2 1 299.415 -0.645 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001047493556 801885317 /nfs/dbraw/zinc/88/53/17/801885317.db2.gz NFAUJKXBBBDXDW-XUXIUFHCSA-N 2 1 299.415 -0.645 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001047493556 801885324 /nfs/dbraw/zinc/88/53/24/801885324.db2.gz NFAUJKXBBBDXDW-XUXIUFHCSA-N 2 1 299.415 -0.645 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001047493556 801885328 /nfs/dbraw/zinc/88/53/28/801885328.db2.gz NFAUJKXBBBDXDW-XUXIUFHCSA-N 2 1 299.415 -0.645 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723484 801957067 /nfs/dbraw/zinc/95/70/67/801957067.db2.gz FZPVOKDXDGRLPC-FQUUOJAGSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048723484 801957070 /nfs/dbraw/zinc/95/70/70/801957070.db2.gz FZPVOKDXDGRLPC-FQUUOJAGSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048723484 801957077 /nfs/dbraw/zinc/95/70/77/801957077.db2.gz FZPVOKDXDGRLPC-FQUUOJAGSA-N 2 1 281.400 -0.148 20 0 CBADMP CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739587 801961461 /nfs/dbraw/zinc/96/14/61/801961461.db2.gz LUFIBHSNXRKIOH-FRRDWIJNSA-N 2 1 267.373 -0.273 20 0 CBADMP CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739587 801961464 /nfs/dbraw/zinc/96/14/64/801961464.db2.gz LUFIBHSNXRKIOH-FRRDWIJNSA-N 2 1 267.373 -0.273 20 0 CBADMP CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048739587 801961466 /nfs/dbraw/zinc/96/14/66/801961466.db2.gz LUFIBHSNXRKIOH-FRRDWIJNSA-N 2 1 267.373 -0.273 20 0 CBADMP CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048739587 801961468 /nfs/dbraw/zinc/96/14/68/801961468.db2.gz LUFIBHSNXRKIOH-FRRDWIJNSA-N 2 1 267.373 -0.273 20 0 CBADMP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048823580 801971430 /nfs/dbraw/zinc/97/14/30/801971430.db2.gz FKCLKAPRAIUNLD-ZNMIVQPWSA-N 2 1 293.411 -0.289 20 0 CBADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)CCC1 ZINC001048860379 801976511 /nfs/dbraw/zinc/97/65/11/801976511.db2.gz RKCMASJEUSZSDT-BETUJISGSA-N 2 1 281.400 -0.147 20 0 CBADMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2C1)[NH+](C)C ZINC001048890580 801977656 /nfs/dbraw/zinc/97/76/56/801977656.db2.gz JOIBXZFEVWQBQZ-FRRDWIJNSA-N 2 1 296.415 -0.537 20 0 CBADMP COCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049212370 802007022 /nfs/dbraw/zinc/00/70/22/802007022.db2.gz BKLLJMWGXUHMRO-MELADBBJSA-N 2 1 281.400 -0.025 20 0 CBADMP COCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049212370 802007030 /nfs/dbraw/zinc/00/70/30/802007030.db2.gz BKLLJMWGXUHMRO-MELADBBJSA-N 2 1 281.400 -0.025 20 0 CBADMP COCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049212370 802007035 /nfs/dbraw/zinc/00/70/35/802007035.db2.gz BKLLJMWGXUHMRO-MELADBBJSA-N 2 1 281.400 -0.025 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O)[NH+](C)C ZINC001049549363 802027288 /nfs/dbraw/zinc/02/72/88/802027288.db2.gz HQLUJLPAEGHLHN-JHJVBQTASA-N 2 1 296.415 -0.123 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O)[NH+](C)C ZINC001049549363 802027295 /nfs/dbraw/zinc/02/72/95/802027295.db2.gz HQLUJLPAEGHLHN-JHJVBQTASA-N 2 1 296.415 -0.123 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2C[NH+](CCO)C[C@H]21 ZINC001049995001 802047961 /nfs/dbraw/zinc/04/79/61/802047961.db2.gz DWPSDGUENAQLHF-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001049995001 802047967 /nfs/dbraw/zinc/04/79/67/802047967.db2.gz DWPSDGUENAQLHF-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001049995001 802047973 /nfs/dbraw/zinc/04/79/73/802047973.db2.gz DWPSDGUENAQLHF-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CCO)CC3)C1 ZINC001050471738 802064150 /nfs/dbraw/zinc/06/41/50/802064150.db2.gz DWBVZWDBQITNFT-ZDUSSCGKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CCO)CC3)C1 ZINC001050471738 802064156 /nfs/dbraw/zinc/06/41/56/802064156.db2.gz DWBVZWDBQITNFT-ZDUSSCGKSA-N 2 1 297.399 -0.766 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001051495129 802148567 /nfs/dbraw/zinc/14/85/67/802148567.db2.gz ZUAYBHOFRQFTLM-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CCO1 ZINC001051786210 802166314 /nfs/dbraw/zinc/16/63/14/802166314.db2.gz RYRLKZOXRQGHNM-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CCO1 ZINC001051786210 802166321 /nfs/dbraw/zinc/16/63/21/802166321.db2.gz RYRLKZOXRQGHNM-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](C[NH2+]C(C)C)C2)C1 ZINC001051939466 802174497 /nfs/dbraw/zinc/17/44/97/802174497.db2.gz YXSRTRSPPINRND-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](C[NH2+]C(C)C)C2)C1 ZINC001051939466 802174500 /nfs/dbraw/zinc/17/45/00/802174500.db2.gz YXSRTRSPPINRND-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCO1 ZINC001051939228 802174785 /nfs/dbraw/zinc/17/47/85/802174785.db2.gz YDJHIXJABQCVHZ-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001051939228 802174788 /nfs/dbraw/zinc/17/47/88/802174788.db2.gz YDJHIXJABQCVHZ-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCO)CC2)C1 ZINC001052276323 802190428 /nfs/dbraw/zinc/19/04/28/802190428.db2.gz AMIKZRHXBXGCJH-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCO)CC2)C1 ZINC001052276323 802190434 /nfs/dbraw/zinc/19/04/34/802190434.db2.gz AMIKZRHXBXGCJH-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](CCO)CC2)C1 ZINC001052276323 802190436 /nfs/dbraw/zinc/19/04/36/802190436.db2.gz AMIKZRHXBXGCJH-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)C1 ZINC001052276323 802190440 /nfs/dbraw/zinc/19/04/40/802190440.db2.gz AMIKZRHXBXGCJH-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCO)CC2)C1 ZINC001052276324 802191141 /nfs/dbraw/zinc/19/11/41/802191141.db2.gz AMIKZRHXBXGCJH-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCO)CC2)C1 ZINC001052276324 802191146 /nfs/dbraw/zinc/19/11/46/802191146.db2.gz AMIKZRHXBXGCJH-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](CCO)CC2)C1 ZINC001052276324 802191150 /nfs/dbraw/zinc/19/11/50/802191150.db2.gz AMIKZRHXBXGCJH-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCO)CC2)C1 ZINC001052276324 802191153 /nfs/dbraw/zinc/19/11/53/802191153.db2.gz AMIKZRHXBXGCJH-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCO)CC2)O1 ZINC001052488202 802200876 /nfs/dbraw/zinc/20/08/76/802200876.db2.gz GGOBKCFPRCXZBJ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCO)CC2)O1 ZINC001052488202 802200883 /nfs/dbraw/zinc/20/08/83/802200883.db2.gz GGOBKCFPRCXZBJ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](CCO)CC2)O1 ZINC001052488202 802200889 /nfs/dbraw/zinc/20/08/89/802200889.db2.gz GGOBKCFPRCXZBJ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)O1 ZINC001052488202 802200896 /nfs/dbraw/zinc/20/08/96/802200896.db2.gz GGOBKCFPRCXZBJ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCO)CC2)C1 ZINC001052947354 802225643 /nfs/dbraw/zinc/22/56/43/802225643.db2.gz OFDHJDVYORDBHG-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCO)CC2)C1 ZINC001052947354 802225645 /nfs/dbraw/zinc/22/56/45/802225645.db2.gz OFDHJDVYORDBHG-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](CCO)CC2)C1 ZINC001052947354 802225650 /nfs/dbraw/zinc/22/56/50/802225650.db2.gz OFDHJDVYORDBHG-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCO)CC2)C1 ZINC001052947354 802225654 /nfs/dbraw/zinc/22/56/54/802225654.db2.gz OFDHJDVYORDBHG-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937724 802225921 /nfs/dbraw/zinc/22/59/21/802225921.db2.gz NBTRZHQYPZTRCX-LBPRGKRZSA-N 2 1 282.388 -0.462 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(N)=O)C1 ZINC001054905210 802378963 /nfs/dbraw/zinc/37/89/63/802378963.db2.gz BPZMDGJFZRAFMB-KOLCDFICSA-N 2 1 279.344 -0.887 20 0 CBADMP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001148210303 814934349 /nfs/dbraw/zinc/93/43/49/814934349.db2.gz JUNYYMZFSWTBPA-LBPRGKRZSA-N 2 1 294.399 -0.639 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099988337 810985165 /nfs/dbraw/zinc/98/51/65/810985165.db2.gz HDUUTXDMSLKOIE-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP NC(=O)CC[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001119683162 812865901 /nfs/dbraw/zinc/86/59/01/812865901.db2.gz ZHDPIWYIQGKGIX-RHYQMDGZSA-N 2 1 255.362 -0.186 20 0 CBADMP [NH3+]C[C@H]1CN(C(=O)[C@H]2[NH2+]CCc3occc32)CCO1 ZINC001122014790 813105498 /nfs/dbraw/zinc/10/54/98/813105498.db2.gz HLEIADPRADUPOB-CABZTGNLSA-N 2 1 265.313 -0.348 20 0 CBADMP C[NH2+]C1CC(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001122449048 813166462 /nfs/dbraw/zinc/16/64/62/813166462.db2.gz RGVDADCHSCQIEQ-YWPUVAFDSA-N 2 1 268.405 -0.265 20 0 CBADMP C[C@H](C(=O)N[C@H]1C[NH2+]CC12CC2)N1CC[NH+](C)CC1 ZINC001122499780 813172086 /nfs/dbraw/zinc/17/20/86/813172086.db2.gz ZXTDNYDZDIDBDQ-NEPJUHHUSA-N 2 1 266.389 -0.510 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C(N)=O ZINC001129329534 813837592 /nfs/dbraw/zinc/83/75/92/813837592.db2.gz YDNFHLSTJVEPSX-QWHCGFSZSA-N 2 1 298.431 -0.066 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328154 813837935 /nfs/dbraw/zinc/83/79/35/813837935.db2.gz MFXDGONJKPNDBG-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328164 813838187 /nfs/dbraw/zinc/83/81/87/813838187.db2.gz MFXDGONJKPNDBG-STQMWFEESA-N 2 1 298.431 -0.195 20 0 CBADMP C[NH+](C)CCC(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001133294297 814238114 /nfs/dbraw/zinc/23/81/14/814238114.db2.gz BMHLDUADLQJNFD-UHFFFAOYSA-N 2 1 281.364 -0.835 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C[N@@H+]2CC[C@H](C)C2)nn1 ZINC001133845379 814305723 /nfs/dbraw/zinc/30/57/23/814305723.db2.gz DEGRNXRQFZAUHM-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@H](C)C2)nn1 ZINC001133845379 814305728 /nfs/dbraw/zinc/30/57/28/814305728.db2.gz DEGRNXRQFZAUHM-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[C@@H](C(=O)NCC[NH2+]Cc1nncn1C)[NH+](C)C ZINC001133982489 814333449 /nfs/dbraw/zinc/33/34/49/814333449.db2.gz CDFOAZPMWDTYMJ-JTQLQIEISA-N 2 1 268.365 -0.639 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+]([C@H](C)C(N)=O)C2 ZINC001148548433 814949541 /nfs/dbraw/zinc/94/95/41/814949541.db2.gz SMDGKUTTXWCKGX-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(N)=O)C2 ZINC001148548433 814949547 /nfs/dbraw/zinc/94/95/47/814949547.db2.gz SMDGKUTTXWCKGX-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(N)=O)C2 ZINC001148548433 814949554 /nfs/dbraw/zinc/94/95/54/814949554.db2.gz SMDGKUTTXWCKGX-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001148570660 814950805 /nfs/dbraw/zinc/95/08/05/814950805.db2.gz JTSIVWYARFCMTB-UHFFFAOYSA-N 2 1 283.380 -0.852 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001148570660 814950810 /nfs/dbraw/zinc/95/08/10/814950810.db2.gz JTSIVWYARFCMTB-UHFFFAOYSA-N 2 1 283.380 -0.852 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001148638091 814954129 /nfs/dbraw/zinc/95/41/29/814954129.db2.gz BRDFYYWKGCOMBS-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccnn1C ZINC001148638822 814954398 /nfs/dbraw/zinc/95/43/98/814954398.db2.gz TXKABGRMSNESHY-UHFFFAOYSA-N 2 1 267.377 -0.032 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001148642448 814954464 /nfs/dbraw/zinc/95/44/64/814954464.db2.gz JGKOJJOKVNTAMZ-SNVBAGLBSA-N 2 1 283.380 -0.681 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001148642448 814954470 /nfs/dbraw/zinc/95/44/70/814954470.db2.gz JGKOJJOKVNTAMZ-SNVBAGLBSA-N 2 1 283.380 -0.681 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC ZINC001148639022 814954578 /nfs/dbraw/zinc/95/45/78/814954578.db2.gz YGGWXLTVIPYLLH-UHFFFAOYSA-N 2 1 258.366 -0.830 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001148638058 814954770 /nfs/dbraw/zinc/95/47/70/814954770.db2.gz AFFFZPYMEKWTSG-UHFFFAOYSA-N 2 1 270.377 -0.687 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nccn1C ZINC001148638464 814954959 /nfs/dbraw/zinc/95/49/59/814954959.db2.gz ICCVUPSOCVXUTL-UHFFFAOYSA-N 2 1 267.377 -0.032 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nccn1C ZINC001148638464 814954960 /nfs/dbraw/zinc/95/49/60/814954960.db2.gz ICCVUPSOCVXUTL-UHFFFAOYSA-N 2 1 267.377 -0.032 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)N1CC[NH+](C)CC1 ZINC001321769145 803811134 /nfs/dbraw/zinc/81/11/34/803811134.db2.gz RBURLISVMFCALU-STQMWFEESA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)N1CC[NH+](C)CC1 ZINC001321769145 803811142 /nfs/dbraw/zinc/81/11/42/803811142.db2.gz RBURLISVMFCALU-STQMWFEESA-N 2 1 268.405 -0.310 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001321926177 803839208 /nfs/dbraw/zinc/83/92/08/803839208.db2.gz HEHOBLJBLJFNFR-WCBMZHEXSA-N 2 1 267.333 -0.840 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001322366719 803891748 /nfs/dbraw/zinc/89/17/48/803891748.db2.gz WUQBAQPMSKPMPS-UHFFFAOYSA-N 2 1 268.405 -0.215 20 0 CBADMP CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001322832223 803944651 /nfs/dbraw/zinc/94/46/51/803944651.db2.gz TXXHLJSPKPCBIQ-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@@H+]2CCO)CCC1 ZINC001323246288 803996300 /nfs/dbraw/zinc/99/63/00/803996300.db2.gz LPPFQCQLSKBBJU-NSHDSACASA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@H+]2CCO)CCC1 ZINC001323246288 803996310 /nfs/dbraw/zinc/99/63/10/803996310.db2.gz LPPFQCQLSKBBJU-NSHDSACASA-N 2 1 255.362 -0.347 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]C[C@@H](C)O)CC1 ZINC001323493694 804034207 /nfs/dbraw/zinc/03/42/07/804034207.db2.gz PXRDCUIMSRYSTA-LLVKDONJSA-N 2 1 266.345 -0.189 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CCO)CC1 ZINC001323614272 804050453 /nfs/dbraw/zinc/05/04/53/804050453.db2.gz TUYMIZLIIOGUEF-UHFFFAOYSA-N 2 1 252.318 -0.578 20 0 CBADMP C[C@H](O)C[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001323969481 804090185 /nfs/dbraw/zinc/09/01/85/804090185.db2.gz BUYJYDBPRLTELD-NSHDSACASA-N 2 1 257.378 -0.148 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001149981599 815013915 /nfs/dbraw/zinc/01/39/15/815013915.db2.gz BPGIDTMAVWGAMN-ZDUSSCGKSA-N 2 1 296.371 -0.609 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001149981599 815013920 /nfs/dbraw/zinc/01/39/20/815013920.db2.gz BPGIDTMAVWGAMN-ZDUSSCGKSA-N 2 1 296.371 -0.609 20 0 CBADMP CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150461850 815031571 /nfs/dbraw/zinc/03/15/71/815031571.db2.gz KHXYGKSGEWOWEP-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP CC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150461850 815031578 /nfs/dbraw/zinc/03/15/78/815031578.db2.gz KHXYGKSGEWOWEP-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH+](CCO)CCCO2)C1 ZINC001150598348 815037039 /nfs/dbraw/zinc/03/70/39/815037039.db2.gz ZTHDVMBIZMLJOB-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2C[N@H+](CCO)CCCO2)C1 ZINC001150598348 815037045 /nfs/dbraw/zinc/03/70/45/815037045.db2.gz ZTHDVMBIZMLJOB-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001150598348 815037051 /nfs/dbraw/zinc/03/70/51/815037051.db2.gz ZTHDVMBIZMLJOB-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714971 815041066 /nfs/dbraw/zinc/04/10/66/815041066.db2.gz JBOIFYLZHDXFAJ-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001151049173 815051795 /nfs/dbraw/zinc/05/17/95/815051795.db2.gz JGXFIVPFQIVJIY-LBPRGKRZSA-N 2 1 282.388 -0.734 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)cc1=O ZINC001151049177 815051920 /nfs/dbraw/zinc/05/19/20/815051920.db2.gz JIBBKYLHAWKOSR-ZDUSSCGKSA-N 2 1 292.383 -0.457 20 0 CBADMP CCn1c(C)nnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049012 815052058 /nfs/dbraw/zinc/05/20/58/815052058.db2.gz GZOSWHVYRSPLBN-GFCCVEGCSA-N 2 1 294.403 -0.236 20 0 CBADMP CCn1c(C)nnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049012 815052063 /nfs/dbraw/zinc/05/20/63/815052063.db2.gz GZOSWHVYRSPLBN-GFCCVEGCSA-N 2 1 294.403 -0.236 20 0 CBADMP Cc1nn(C)cc1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049040 815052395 /nfs/dbraw/zinc/05/23/95/815052395.db2.gz IDUYWYZJUGJHKV-LBPRGKRZSA-N 2 1 279.388 -0.114 20 0 CBADMP CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049034 815052623 /nfs/dbraw/zinc/05/26/23/815052623.db2.gz HVGQUMNFQQEQDF-OLZOCXBDSA-N 2 1 298.431 -0.195 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151048327 815052921 /nfs/dbraw/zinc/05/29/21/815052921.db2.gz ACDIUNPCVHYKRP-NSHDSACASA-N 2 1 280.376 -0.545 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151048327 815052926 /nfs/dbraw/zinc/05/29/26/815052926.db2.gz ACDIUNPCVHYKRP-NSHDSACASA-N 2 1 280.376 -0.545 20 0 CBADMP CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049775 815054134 /nfs/dbraw/zinc/05/41/34/815054134.db2.gz YQMSMAHAUAPTGC-NSHDSACASA-N 2 1 295.391 -0.589 20 0 CBADMP CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049775 815054136 /nfs/dbraw/zinc/05/41/36/815054136.db2.gz YQMSMAHAUAPTGC-NSHDSACASA-N 2 1 295.391 -0.589 20 0 CBADMP CCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151064388 815054546 /nfs/dbraw/zinc/05/45/46/815054546.db2.gz AZDJQKCOLMBPOT-NSHDSACASA-N 2 1 295.391 -0.759 20 0 CBADMP CCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151064388 815054554 /nfs/dbraw/zinc/05/45/54/815054554.db2.gz AZDJQKCOLMBPOT-NSHDSACASA-N 2 1 295.391 -0.759 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049574 815054940 /nfs/dbraw/zinc/05/49/40/815054940.db2.gz SIOOHACNTJNGBD-NSHDSACASA-N 2 1 280.376 -0.545 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049574 815054947 /nfs/dbraw/zinc/05/49/47/815054947.db2.gz SIOOHACNTJNGBD-NSHDSACASA-N 2 1 280.376 -0.545 20 0 CBADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001151064977 815054959 /nfs/dbraw/zinc/05/49/59/815054959.db2.gz GLDGPJIOPKRQGB-AAEUAGOBSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065135 815055406 /nfs/dbraw/zinc/05/54/06/815055406.db2.gz GZPHMXMTESZCLN-NEPJUHHUSA-N 2 1 257.378 -0.195 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049711 815055509 /nfs/dbraw/zinc/05/55/09/815055509.db2.gz WXLYHQSEVWUSPP-NSHDSACASA-N 2 1 270.377 -0.878 20 0 CBADMP CCCC[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001151065839 815056576 /nfs/dbraw/zinc/05/65/76/815056576.db2.gz NLNFATAENZXDNJ-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)c1nncn1C ZINC001151065492 815056612 /nfs/dbraw/zinc/05/66/12/815056612.db2.gz KGSLNTCVZJUEIH-WDEREUQCSA-N 2 1 280.376 -0.466 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1nncn1C ZINC001151065492 815056617 /nfs/dbraw/zinc/05/66/17/815056617.db2.gz KGSLNTCVZJUEIH-WDEREUQCSA-N 2 1 280.376 -0.466 20 0 CBADMP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065841 815056705 /nfs/dbraw/zinc/05/67/05/815056705.db2.gz NMRIRAHDOUHSDI-GFCCVEGCSA-N 2 1 299.419 -0.649 20 0 CBADMP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001151066083 815057062 /nfs/dbraw/zinc/05/70/62/815057062.db2.gz PNFFALNMLQXLKD-GFCCVEGCSA-N 2 1 277.372 -0.057 20 0 CBADMP CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001071020774 805208101 /nfs/dbraw/zinc/20/81/01/805208101.db2.gz UYPJQFGUDQENSA-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001071020774 805208106 /nfs/dbraw/zinc/20/81/06/805208106.db2.gz UYPJQFGUDQENSA-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001071020774 805208113 /nfs/dbraw/zinc/20/81/13/805208113.db2.gz UYPJQFGUDQENSA-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001071020774 805208120 /nfs/dbraw/zinc/20/81/20/805208120.db2.gz UYPJQFGUDQENSA-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2cnns2)C1 ZINC001151065435 815057176 /nfs/dbraw/zinc/05/71/76/815057176.db2.gz JPHQLEVHDAEVTL-SECBINFHSA-N 2 1 269.374 -0.304 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2cnns2)C1 ZINC001151065435 815057179 /nfs/dbraw/zinc/05/71/79/815057179.db2.gz JPHQLEVHDAEVTL-SECBINFHSA-N 2 1 269.374 -0.304 20 0 CBADMP CCn1nc(C)c(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151065476 815057392 /nfs/dbraw/zinc/05/73/92/815057392.db2.gz KBJYLWVNTVGQFL-LBPRGKRZSA-N 2 1 294.403 -0.236 20 0 CBADMP CCn1nc(C)c(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151065476 815057398 /nfs/dbraw/zinc/05/73/98/815057398.db2.gz KBJYLWVNTVGQFL-LBPRGKRZSA-N 2 1 294.403 -0.236 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2ccon2)C1 ZINC001151066562 815057408 /nfs/dbraw/zinc/05/74/08/815057408.db2.gz WJPMNXOGKFJXRM-SNVBAGLBSA-N 2 1 295.343 -0.729 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001151065991 815057555 /nfs/dbraw/zinc/05/75/55/815057555.db2.gz PDCKWZBEDGVYHW-CHWSQXEVSA-N 2 1 296.415 -0.440 20 0 CBADMP CCN1CC[C@H]([NH2+]CCNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001151121426 815063278 /nfs/dbraw/zinc/06/32/78/815063278.db2.gz GGGTUCOKUTUJLN-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP CCn1c(C)nnc1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151098372 815062446 /nfs/dbraw/zinc/06/24/46/815062446.db2.gz YUOWZSVGNRVTRK-UHFFFAOYSA-N 2 1 294.403 -0.092 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001151121569 815063954 /nfs/dbraw/zinc/06/39/54/815063954.db2.gz IJJQOPJBWKHIML-JTQLQIEISA-N 2 1 267.333 -0.839 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001151147217 815064229 /nfs/dbraw/zinc/06/42/29/815064229.db2.gz IQBJQYTVGBAJGZ-UHFFFAOYSA-N 2 1 281.360 -0.578 20 0 CBADMP COCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072579149 805317376 /nfs/dbraw/zinc/31/73/76/805317376.db2.gz VLHKMANMSQXZLY-ZDUSSCGKSA-N 2 1 297.399 -0.502 20 0 CBADMP COCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072579149 805317384 /nfs/dbraw/zinc/31/73/84/805317384.db2.gz VLHKMANMSQXZLY-ZDUSSCGKSA-N 2 1 297.399 -0.502 20 0 CBADMP COCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072579149 805317390 /nfs/dbraw/zinc/31/73/90/805317390.db2.gz VLHKMANMSQXZLY-ZDUSSCGKSA-N 2 1 297.399 -0.502 20 0 CBADMP COCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072579149 805317397 /nfs/dbraw/zinc/31/73/97/805317397.db2.gz VLHKMANMSQXZLY-ZDUSSCGKSA-N 2 1 297.399 -0.502 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001073127967 805360755 /nfs/dbraw/zinc/36/07/55/805360755.db2.gz MJSKMOSXWYVMOE-LBPRGKRZSA-N 2 1 294.399 -0.652 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001073127967 805360762 /nfs/dbraw/zinc/36/07/62/805360762.db2.gz MJSKMOSXWYVMOE-LBPRGKRZSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1 ZINC001073127967 805360769 /nfs/dbraw/zinc/36/07/69/805360769.db2.gz MJSKMOSXWYVMOE-LBPRGKRZSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1 ZINC001073127967 805360779 /nfs/dbraw/zinc/36/07/79/805360779.db2.gz MJSKMOSXWYVMOE-LBPRGKRZSA-N 2 1 294.399 -0.652 20 0 CBADMP C[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073426155 805370882 /nfs/dbraw/zinc/37/08/82/805370882.db2.gz RYPIFXNTSVSDRA-STQMWFEESA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001073426155 805370895 /nfs/dbraw/zinc/37/08/95/805370895.db2.gz RYPIFXNTSVSDRA-STQMWFEESA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426155 805370904 /nfs/dbraw/zinc/37/09/04/805370904.db2.gz RYPIFXNTSVSDRA-STQMWFEESA-N 2 1 281.400 -0.147 20 0 CBADMP CC(C)[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073563603 805385913 /nfs/dbraw/zinc/38/59/13/805385913.db2.gz GASCTGSTBCYOHC-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073563603 805385925 /nfs/dbraw/zinc/38/59/25/805385925.db2.gz GASCTGSTBCYOHC-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073563603 805385935 /nfs/dbraw/zinc/38/59/35/805385935.db2.gz GASCTGSTBCYOHC-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073563603 805385944 /nfs/dbraw/zinc/38/59/44/805385944.db2.gz GASCTGSTBCYOHC-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCCO1 ZINC001073554842 805386582 /nfs/dbraw/zinc/38/65/82/805386582.db2.gz OXVJNXBBFJYNQB-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001073554842 805386590 /nfs/dbraw/zinc/38/65/90/805386590.db2.gz OXVJNXBBFJYNQB-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001073554842 805386598 /nfs/dbraw/zinc/38/65/98/805386598.db2.gz OXVJNXBBFJYNQB-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC(C)[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073563602 805387657 /nfs/dbraw/zinc/38/76/57/805387657.db2.gz GASCTGSTBCYOHC-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073563602 805387662 /nfs/dbraw/zinc/38/76/62/805387662.db2.gz GASCTGSTBCYOHC-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073563602 805387671 /nfs/dbraw/zinc/38/76/71/805387671.db2.gz GASCTGSTBCYOHC-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073563602 805387681 /nfs/dbraw/zinc/38/76/81/805387681.db2.gz GASCTGSTBCYOHC-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001074792954 805472380 /nfs/dbraw/zinc/47/23/80/805472380.db2.gz NAQCQNALCRDZKD-WUHRBBMRSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001075042191 805481536 /nfs/dbraw/zinc/48/15/36/805481536.db2.gz ATBGNOCDNRZXLX-XQQFMLRXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001075108823 805483585 /nfs/dbraw/zinc/48/35/85/805483585.db2.gz PNILIKKGSDLAOY-SRVKXCTJSA-N 2 1 255.362 -0.491 20 0 CBADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001075798667 805533925 /nfs/dbraw/zinc/53/39/25/805533925.db2.gz JZAIBZOJJSOQIG-RRFJBIMHSA-N 2 1 293.411 -0.147 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)COC)C1 ZINC001151740911 815089883 /nfs/dbraw/zinc/08/98/83/815089883.db2.gz ZJHMDCSERMOZII-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)COC)C1 ZINC001151740911 815089890 /nfs/dbraw/zinc/08/98/90/815089890.db2.gz ZJHMDCSERMOZII-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@H]2CCOC2)C1 ZINC001151739006 815090562 /nfs/dbraw/zinc/09/05/62/815090562.db2.gz JXSDFNPECLIPOA-KBPBESRZSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@H]2CCOC2)C1 ZINC001151739006 815090568 /nfs/dbraw/zinc/09/05/68/815090568.db2.gz JXSDFNPECLIPOA-KBPBESRZSA-N 2 1 299.415 -0.161 20 0 CBADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001152137541 815107017 /nfs/dbraw/zinc/10/70/17/815107017.db2.gz MHDHFTHEFFPMBB-QWRGUYRKSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001152145678 815108116 /nfs/dbraw/zinc/10/81/16/815108116.db2.gz DPTRFBLZBZBWGC-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001152149561 815108165 /nfs/dbraw/zinc/10/81/65/815108165.db2.gz YOABEYZGMDOMOZ-TXEJJXNPSA-N 2 1 296.415 -0.156 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)CCC[NH+]2CCCC2)n1 ZINC001152223199 815110691 /nfs/dbraw/zinc/11/06/91/815110691.db2.gz JHNSLVWRLSASOZ-UHFFFAOYSA-N 2 1 294.403 -0.103 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152391540 815119392 /nfs/dbraw/zinc/11/93/92/815119392.db2.gz CIPFSAMXAWOPHI-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152391540 815119395 /nfs/dbraw/zinc/11/93/95/815119395.db2.gz CIPFSAMXAWOPHI-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152391540 815119396 /nfs/dbraw/zinc/11/93/96/815119396.db2.gz CIPFSAMXAWOPHI-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152391540 815119400 /nfs/dbraw/zinc/11/94/00/815119400.db2.gz CIPFSAMXAWOPHI-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CCn1cccn1 ZINC001152432578 815121083 /nfs/dbraw/zinc/12/10/83/815121083.db2.gz LNFIQLGNHNYYFC-UHFFFAOYSA-N 2 1 267.377 -0.071 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152439411 815121236 /nfs/dbraw/zinc/12/12/36/815121236.db2.gz KUPIIFCNSXWOQN-UHFFFAOYSA-N 2 1 258.366 -0.832 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1cncn1C ZINC001152439135 815121331 /nfs/dbraw/zinc/12/13/31/815121331.db2.gz ACMWXGGBCJQMGV-UHFFFAOYSA-N 2 1 267.377 -0.034 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152439194 815121364 /nfs/dbraw/zinc/12/13/64/815121364.db2.gz DIMMFYAEOATULU-UHFFFAOYSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)C(C)C)C(N)=O ZINC001152431754 815121474 /nfs/dbraw/zinc/12/14/74/815121474.db2.gz DDXHYNNFOMQWMC-SNVBAGLBSA-N 2 1 258.366 -0.704 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001152440064 815121635 /nfs/dbraw/zinc/12/16/35/815121635.db2.gz WTDOYXTYRZEPCX-UHFFFAOYSA-N 2 1 286.420 -0.053 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1nccn1C ZINC001152439576 815121661 /nfs/dbraw/zinc/12/16/61/815121661.db2.gz OGDLHJXTCRLKLL-UHFFFAOYSA-N 2 1 267.377 -0.034 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1nccn1C ZINC001152439576 815121664 /nfs/dbraw/zinc/12/16/64/815121664.db2.gz OGDLHJXTCRLKLL-UHFFFAOYSA-N 2 1 267.377 -0.034 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001152445626 815122307 /nfs/dbraw/zinc/12/23/07/815122307.db2.gz KQXOSCZOLNQXGR-NSHDSACASA-N 2 1 284.404 -0.301 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001152446326 815123019 /nfs/dbraw/zinc/12/30/19/815123019.db2.gz XNOSXQAVAISASS-LBPRGKRZSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001152446325 815123346 /nfs/dbraw/zinc/12/33/46/815123346.db2.gz XNOSXQAVAISASS-GFCCVEGCSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001154020783 815194497 /nfs/dbraw/zinc/19/44/97/815194497.db2.gz PIHUWZXRAFGIKO-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001154020783 815194501 /nfs/dbraw/zinc/19/45/01/815194501.db2.gz PIHUWZXRAFGIKO-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](CCO)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001154020783 815194508 /nfs/dbraw/zinc/19/45/08/815194508.db2.gz PIHUWZXRAFGIKO-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](CCO)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001154020783 815194510 /nfs/dbraw/zinc/19/45/10/815194510.db2.gz PIHUWZXRAFGIKO-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@@H](CN1CC[NH2+]CC1)Nc1ncnc2c1C[NH2+]C2 ZINC001154748894 815237950 /nfs/dbraw/zinc/23/79/50/815237950.db2.gz UOXYDHFSUVJKIS-JTQLQIEISA-N 2 1 262.361 -0.215 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154893932 815247940 /nfs/dbraw/zinc/24/79/40/815247940.db2.gz BYAKIQMSEULFFI-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154893932 815247944 /nfs/dbraw/zinc/24/79/44/815247944.db2.gz BYAKIQMSEULFFI-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155000078 815256071 /nfs/dbraw/zinc/25/60/71/815256071.db2.gz VWRRMMARXJDQST-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155000078 815256076 /nfs/dbraw/zinc/25/60/76/815256076.db2.gz VWRRMMARXJDQST-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP NC(=O)c1ccc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)nn1 ZINC001155373448 815279286 /nfs/dbraw/zinc/27/92/86/815279286.db2.gz QSFWEVUIVUNQQW-NSHDSACASA-N 2 1 290.371 -0.565 20 0 CBADMP [NH3+]CC1CN([C@H]2CCCN(c3ncnc4c3C[NH2+]C4)C2)C1 ZINC001155372817 815279930 /nfs/dbraw/zinc/27/99/30/815279930.db2.gz KUAWBTBDYWWASR-LBPRGKRZSA-N 2 1 288.399 -0.061 20 0 CBADMP Nc1cc(NCc2nnn3c2C[NH2+]CCC3)nc[nH+]1 ZINC001155398664 815282241 /nfs/dbraw/zinc/28/22/41/815282241.db2.gz YWHYPYSHIJURLB-UHFFFAOYSA-N 2 1 260.305 -0.244 20 0 CBADMP c1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)nc(N2CCOCC2)[nH+]1 ZINC001155505738 815288994 /nfs/dbraw/zinc/28/89/94/815288994.db2.gz PNKJCHAJPDUVLP-IJLUTSLNSA-N 2 1 291.355 -0.288 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001155803215 815312874 /nfs/dbraw/zinc/31/28/74/815312874.db2.gz YWFLFQDJUQCIHK-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001155791031 815312913 /nfs/dbraw/zinc/31/29/13/815312913.db2.gz QZDHFDGTAJLRQU-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001155789602 815311154 /nfs/dbraw/zinc/31/11/54/815311154.db2.gz FOBCISXXFHWAQL-LBPRGKRZSA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001155790691 815311407 /nfs/dbraw/zinc/31/14/07/815311407.db2.gz MDQBPPMNWXDRNA-UWVGGRQHSA-N 2 1 256.350 -0.950 20 0 CBADMP Cn1nncc1C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155790709 815312266 /nfs/dbraw/zinc/31/22/66/815312266.db2.gz MOZMAXSKYZQEJN-LBPRGKRZSA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001155813576 815314472 /nfs/dbraw/zinc/31/44/72/815314472.db2.gz SKDURGPDSYNYRR-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155812496 815314656 /nfs/dbraw/zinc/31/46/56/815314656.db2.gz NTXUMQOQWRMVSK-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001155813665 815315536 /nfs/dbraw/zinc/31/55/36/815315536.db2.gz SXPQOGKVSUUCLN-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@H+](CCO)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155856133 815318191 /nfs/dbraw/zinc/31/81/91/815318191.db2.gz AZKUFGOLPUFRMN-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[N@@H+](CCO)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155856133 815318198 /nfs/dbraw/zinc/31/81/98/815318198.db2.gz AZKUFGOLPUFRMN-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP COCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156125601 815339051 /nfs/dbraw/zinc/33/90/51/815339051.db2.gz OSSXMEHZCYSTOO-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP COCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156125601 815339056 /nfs/dbraw/zinc/33/90/56/815339056.db2.gz OSSXMEHZCYSTOO-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC[C@H]2CCCO2)C1 ZINC001156146341 815340305 /nfs/dbraw/zinc/34/03/05/815340305.db2.gz WMHWLIBSTHZNBA-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC[C@H]2CCCO2)C1 ZINC001156146341 815340312 /nfs/dbraw/zinc/34/03/12/815340312.db2.gz WMHWLIBSTHZNBA-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP Cn1cc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001156144932 815341187 /nfs/dbraw/zinc/34/11/87/815341187.db2.gz HJSGVGBIRNOUGM-CYBMUJFWSA-N 2 1 295.387 -0.653 20 0 CBADMP Cn1cc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001156144932 815341194 /nfs/dbraw/zinc/34/11/94/815341194.db2.gz HJSGVGBIRNOUGM-CYBMUJFWSA-N 2 1 295.387 -0.653 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001086177522 810247620 /nfs/dbraw/zinc/24/76/20/810247620.db2.gz XVJGBMVQVLQFPY-ZDEQEGDKSA-N 2 1 296.415 -0.314 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086272213 810253697 /nfs/dbraw/zinc/25/36/97/810253697.db2.gz YCDKMSRSIHUXDH-RVMXOQNASA-N 2 1 294.399 -0.689 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001086324553 810261571 /nfs/dbraw/zinc/26/15/71/810261571.db2.gz CSFVMNXUUGOETQ-DDHJBXDOSA-N 2 1 282.388 -0.561 20 0 CBADMP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001086372952 810266004 /nfs/dbraw/zinc/26/60/04/810266004.db2.gz FGWGCQOYSMELLK-AAVRWANBSA-N 2 1 297.399 -0.674 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086402317 810266877 /nfs/dbraw/zinc/26/68/77/810266877.db2.gz PQTGOENBHYRSRP-SRVKXCTJSA-N 2 1 282.388 -0.560 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)no1 ZINC001086412438 810268442 /nfs/dbraw/zinc/26/84/42/810268442.db2.gz ZVNSALFUFPKSIS-XYPYZODXSA-N 2 1 296.371 -0.174 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)Cc1cncn1C ZINC001156384153 815356532 /nfs/dbraw/zinc/35/65/32/815356532.db2.gz YNFYDQPGLCXSKQ-LLVKDONJSA-N 2 1 295.387 -0.465 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)Cc1cncn1C ZINC001156384153 815356537 /nfs/dbraw/zinc/35/65/37/815356537.db2.gz YNFYDQPGLCXSKQ-LLVKDONJSA-N 2 1 295.387 -0.465 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)Cc1cncn1C ZINC001156383902 815356806 /nfs/dbraw/zinc/35/68/06/815356806.db2.gz SJMHQLMLBVGXDF-SNVBAGLBSA-N 2 1 281.360 -0.726 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)Cc1cncn1C ZINC001156383902 815356812 /nfs/dbraw/zinc/35/68/12/815356812.db2.gz SJMHQLMLBVGXDF-SNVBAGLBSA-N 2 1 281.360 -0.726 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001086552239 810278711 /nfs/dbraw/zinc/27/87/11/810278711.db2.gz ZLMNRZXPYOJWNS-WISYIIOYSA-N 2 1 282.388 -0.704 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001086556356 810280236 /nfs/dbraw/zinc/28/02/36/810280236.db2.gz SQTFVEYEPFGCKR-XDQVBPFNSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001086556356 810280240 /nfs/dbraw/zinc/28/02/40/810280240.db2.gz SQTFVEYEPFGCKR-XDQVBPFNSA-N 2 1 299.415 -0.428 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086875510 810286410 /nfs/dbraw/zinc/28/64/10/810286410.db2.gz VSYVGTDIBSOHDA-QJPTWQEYSA-N 2 1 282.388 -0.702 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1 ZINC001087908663 810314440 /nfs/dbraw/zinc/31/44/40/810314440.db2.gz JOQWFVSMYFIJGQ-FRRDWIJNSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001087908663 810314448 /nfs/dbraw/zinc/31/44/48/810314448.db2.gz JOQWFVSMYFIJGQ-FRRDWIJNSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001087908663 810314453 /nfs/dbraw/zinc/31/44/53/810314453.db2.gz JOQWFVSMYFIJGQ-FRRDWIJNSA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001088279316 810325356 /nfs/dbraw/zinc/32/53/56/810325356.db2.gz PWLKTJBHFBMGSU-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CC(N)=O ZINC001088816742 810358872 /nfs/dbraw/zinc/35/88/72/810358872.db2.gz NTRPBPZYGUCXME-RNJOBUHISA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CC(N)=O ZINC001088816742 810358852 /nfs/dbraw/zinc/35/88/52/810358852.db2.gz NTRPBPZYGUCXME-RNJOBUHISA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CC(N)=O ZINC001088816742 810358859 /nfs/dbraw/zinc/35/88/59/810358859.db2.gz NTRPBPZYGUCXME-RNJOBUHISA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CC(N)=O ZINC001088816742 810358866 /nfs/dbraw/zinc/35/88/66/810358866.db2.gz NTRPBPZYGUCXME-RNJOBUHISA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(N)=O ZINC001089037758 810374360 /nfs/dbraw/zinc/37/43/60/810374360.db2.gz PYSHUYLQRPNRSP-MXWKQRLJSA-N 2 1 268.361 -0.998 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(N)=O ZINC001089037758 810374367 /nfs/dbraw/zinc/37/43/67/810374367.db2.gz PYSHUYLQRPNRSP-MXWKQRLJSA-N 2 1 268.361 -0.998 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(N)=O ZINC001089037758 810374372 /nfs/dbraw/zinc/37/43/72/810374372.db2.gz PYSHUYLQRPNRSP-MXWKQRLJSA-N 2 1 268.361 -0.998 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(N)=O ZINC001089037758 810374378 /nfs/dbraw/zinc/37/43/78/810374378.db2.gz PYSHUYLQRPNRSP-MXWKQRLJSA-N 2 1 268.361 -0.998 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1cc(C2C[NH2+]C2)ncn1 ZINC001156628424 815371408 /nfs/dbraw/zinc/37/14/08/815371408.db2.gz SJHYXORAJROWKB-UHFFFAOYSA-N 2 1 257.301 -0.713 20 0 CBADMP COCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090431932 810499668 /nfs/dbraw/zinc/49/96/68/810499668.db2.gz GGJQWOJUJTXEIO-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090431932 810499672 /nfs/dbraw/zinc/49/96/72/810499672.db2.gz GGJQWOJUJTXEIO-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001090490667 810509023 /nfs/dbraw/zinc/50/90/23/810509023.db2.gz SUCYSZXOGQHFNB-STQMWFEESA-N 2 1 299.415 -0.596 20 0 CBADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001090673776 810546390 /nfs/dbraw/zinc/54/63/90/810546390.db2.gz MLKRZKMRAOLSIU-KGLIPLIRSA-N 2 1 299.415 -0.738 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730391 810559956 /nfs/dbraw/zinc/55/99/56/810559956.db2.gz KZNOTAKISODJGK-QWHCGFSZSA-N 2 1 297.399 -0.720 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090812229 810569171 /nfs/dbraw/zinc/56/91/71/810569171.db2.gz FXUSMVUSNYFALT-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090818962 810571865 /nfs/dbraw/zinc/57/18/65/810571865.db2.gz YMVNWPBMBISJIP-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001092278060 810626843 /nfs/dbraw/zinc/62/68/43/810626843.db2.gz DOYLXNBGTDJWCS-HIFRSBDPSA-N 2 1 292.383 -0.036 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001092278060 810626848 /nfs/dbraw/zinc/62/68/48/810626848.db2.gz DOYLXNBGTDJWCS-HIFRSBDPSA-N 2 1 292.383 -0.036 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092503680 810632711 /nfs/dbraw/zinc/63/27/11/810632711.db2.gz CAVQGDQHAWRSPF-UPJWGTAASA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001092503680 810632715 /nfs/dbraw/zinc/63/27/15/810632715.db2.gz CAVQGDQHAWRSPF-UPJWGTAASA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001092503680 810632719 /nfs/dbraw/zinc/63/27/19/810632719.db2.gz CAVQGDQHAWRSPF-UPJWGTAASA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093193978 810646977 /nfs/dbraw/zinc/64/69/77/810646977.db2.gz SCMVNIUMTWSWPJ-FRRDWIJNSA-N 2 1 296.415 -0.632 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093193978 810646983 /nfs/dbraw/zinc/64/69/83/810646983.db2.gz SCMVNIUMTWSWPJ-FRRDWIJNSA-N 2 1 296.415 -0.632 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093193978 810646989 /nfs/dbraw/zinc/64/69/89/810646989.db2.gz SCMVNIUMTWSWPJ-FRRDWIJNSA-N 2 1 296.415 -0.632 20 0 CBADMP CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890485 815388341 /nfs/dbraw/zinc/38/83/41/815388341.db2.gz MOVYVPXYIYMYMY-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890485 815388349 /nfs/dbraw/zinc/38/83/49/815388349.db2.gz MOVYVPXYIYMYMY-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890485 815388355 /nfs/dbraw/zinc/38/83/55/815388355.db2.gz MOVYVPXYIYMYMY-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890485 815388362 /nfs/dbraw/zinc/38/83/62/815388362.db2.gz MOVYVPXYIYMYMY-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156928122 815389958 /nfs/dbraw/zinc/38/99/58/815389958.db2.gz ZVKAGQNHZBPWRM-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156928122 815389965 /nfs/dbraw/zinc/38/99/65/815389965.db2.gz ZVKAGQNHZBPWRM-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[NH+]1CC(N2C[C@@H](NC(=O)C[NH+]3CCCC3)CC2=O)C1 ZINC001094818218 810731911 /nfs/dbraw/zinc/73/19/11/810731911.db2.gz ZFSGTCZTGQEERP-LBPRGKRZSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001096539975 810779949 /nfs/dbraw/zinc/77/99/49/810779949.db2.gz FCBFHHBBDCBSIB-RNJOBUHISA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)C1 ZINC001096539975 810779954 /nfs/dbraw/zinc/77/99/54/810779954.db2.gz FCBFHHBBDCBSIB-RNJOBUHISA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1 ZINC001096539975 810779959 /nfs/dbraw/zinc/77/99/59/810779959.db2.gz FCBFHHBBDCBSIB-RNJOBUHISA-N 2 1 267.373 -0.348 20 0 CBADMP CNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001096886043 810788847 /nfs/dbraw/zinc/78/88/47/810788847.db2.gz FLRCFJJLKPHHHE-FVCCEPFGSA-N 2 1 294.399 -0.452 20 0 CBADMP CNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1C)C2 ZINC001096886043 810788854 /nfs/dbraw/zinc/78/88/54/810788854.db2.gz FLRCFJJLKPHHHE-FVCCEPFGSA-N 2 1 294.399 -0.452 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001098447067 810846296 /nfs/dbraw/zinc/84/62/96/810846296.db2.gz XTHRNXFXSHHULU-MQYQWHSLSA-N 2 1 297.399 -0.579 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001098447067 810846301 /nfs/dbraw/zinc/84/63/01/810846301.db2.gz XTHRNXFXSHHULU-MQYQWHSLSA-N 2 1 297.399 -0.579 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)C1 ZINC001098447067 810846310 /nfs/dbraw/zinc/84/63/10/810846310.db2.gz XTHRNXFXSHHULU-MQYQWHSLSA-N 2 1 297.399 -0.579 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1 ZINC001098447067 810846319 /nfs/dbraw/zinc/84/63/19/810846319.db2.gz XTHRNXFXSHHULU-MQYQWHSLSA-N 2 1 297.399 -0.579 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001098447068 810846937 /nfs/dbraw/zinc/84/69/37/810846937.db2.gz XTHRNXFXSHHULU-YIYPIFLZSA-N 2 1 297.399 -0.579 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001098447068 810846946 /nfs/dbraw/zinc/84/69/46/810846946.db2.gz XTHRNXFXSHHULU-YIYPIFLZSA-N 2 1 297.399 -0.579 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)C1 ZINC001098447068 810846952 /nfs/dbraw/zinc/84/69/52/810846952.db2.gz XTHRNXFXSHHULU-YIYPIFLZSA-N 2 1 297.399 -0.579 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1 ZINC001098447068 810846960 /nfs/dbraw/zinc/84/69/60/810846960.db2.gz XTHRNXFXSHHULU-YIYPIFLZSA-N 2 1 297.399 -0.579 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879468 810959050 /nfs/dbraw/zinc/95/90/50/810959050.db2.gz KMBQAGJRGYIRLB-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879468 810959055 /nfs/dbraw/zinc/95/90/55/810959055.db2.gz KMBQAGJRGYIRLB-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879468 810959059 /nfs/dbraw/zinc/95/90/59/810959059.db2.gz KMBQAGJRGYIRLB-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CCO)C[C@@H]1O)C1CCC1 ZINC001099879319 810959689 /nfs/dbraw/zinc/95/96/89/810959689.db2.gz IRKWAHARZVCYKA-STQMWFEESA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](CC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O)C1CCC1 ZINC001099879319 810959694 /nfs/dbraw/zinc/95/96/94/810959694.db2.gz IRKWAHARZVCYKA-STQMWFEESA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O)C1CCC1 ZINC001099879319 810959698 /nfs/dbraw/zinc/95/96/98/810959698.db2.gz IRKWAHARZVCYKA-STQMWFEESA-N 2 1 285.388 -0.986 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872802 810960147 /nfs/dbraw/zinc/96/01/47/810960147.db2.gz ZPLOPKWIZFCGQV-QWHCGFSZSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CCCO)C[C@H]1O)C1CCC1 ZINC001099879962 810960301 /nfs/dbraw/zinc/96/03/01/810960301.db2.gz SLVWHZKEBZJZQW-UONOGXRCSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+](CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O)C1CCC1 ZINC001099879962 810960308 /nfs/dbraw/zinc/96/03/08/810960308.db2.gz SLVWHZKEBZJZQW-UONOGXRCSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O)C1CCC1 ZINC001099879962 810960312 /nfs/dbraw/zinc/96/03/12/810960312.db2.gz SLVWHZKEBZJZQW-UONOGXRCSA-N 2 1 299.415 -0.596 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872801 810960481 /nfs/dbraw/zinc/96/04/81/810960481.db2.gz ZPLOPKWIZFCGQV-OLZOCXBDSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971098 810979637 /nfs/dbraw/zinc/97/96/37/810979637.db2.gz AMCFVGODDGYRRH-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099973699 810981922 /nfs/dbraw/zinc/98/19/22/810981922.db2.gz HOBKHGPQEDHFFO-RYUDHWBXSA-N 2 1 275.368 -0.151 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099973699 810981928 /nfs/dbraw/zinc/98/19/28/810981928.db2.gz HOBKHGPQEDHFFO-RYUDHWBXSA-N 2 1 275.368 -0.151 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099973616 810982282 /nfs/dbraw/zinc/98/22/82/810982282.db2.gz GGXNJOUVKHVCJF-STQMWFEESA-N 2 1 287.404 -0.738 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971862 810982693 /nfs/dbraw/zinc/98/26/93/810982693.db2.gz NLHSUZXFDCNPNT-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036549 810999114 /nfs/dbraw/zinc/99/91/14/810999114.db2.gz IPRSGBXNCMJNHZ-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036549 810999119 /nfs/dbraw/zinc/99/91/19/810999119.db2.gz IPRSGBXNCMJNHZ-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100042120 811003980 /nfs/dbraw/zinc/00/39/80/811003980.db2.gz UBATWEDIAYTSGO-STQMWFEESA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074643 811014551 /nfs/dbraw/zinc/01/45/51/811014551.db2.gz QOQRRYKSZFLCCF-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100073469 811014886 /nfs/dbraw/zinc/01/48/86/811014886.db2.gz CQQBGEBYOCXBOG-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074646 811015756 /nfs/dbraw/zinc/01/57/56/811015756.db2.gz QOQRRYKSZFLCCF-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCCO)C[C@@H]1O ZINC001100131258 811025288 /nfs/dbraw/zinc/02/52/88/811025288.db2.gz AIFFOUGBJLFVPU-STQMWFEESA-N 2 1 287.404 -0.740 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100131258 811025297 /nfs/dbraw/zinc/02/52/97/811025297.db2.gz AIFFOUGBJLFVPU-STQMWFEESA-N 2 1 287.404 -0.740 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100131258 811025303 /nfs/dbraw/zinc/02/53/03/811025303.db2.gz AIFFOUGBJLFVPU-STQMWFEESA-N 2 1 287.404 -0.740 20 0 CBADMP CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001100212187 811038538 /nfs/dbraw/zinc/03/85/38/811038538.db2.gz SBRKMZWVXWNGEH-RUXDESIVSA-N 2 1 299.415 -0.162 20 0 CBADMP CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001100212187 811038544 /nfs/dbraw/zinc/03/85/44/811038544.db2.gz SBRKMZWVXWNGEH-RUXDESIVSA-N 2 1 299.415 -0.162 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100509502 811061750 /nfs/dbraw/zinc/06/17/50/811061750.db2.gz KMRFBCFFTBQDRF-UHFFFAOYSA-N 2 1 279.344 -0.839 20 0 CBADMP COC[C@@H](O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001100564663 811062824 /nfs/dbraw/zinc/06/28/24/811062824.db2.gz QWKXCPHZDIGZMC-CLRIEMFWSA-N 2 1 299.415 -0.428 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100677057 811072067 /nfs/dbraw/zinc/07/20/67/811072067.db2.gz XNEOMPLNWTUWAO-PNESKVBLSA-N 2 1 269.389 -0.053 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC)C1 ZINC001100831427 811081460 /nfs/dbraw/zinc/08/14/60/811081460.db2.gz VMNAHJMOTBQUQI-PNESKVBLSA-N 2 1 298.431 -0.053 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001100873120 811083873 /nfs/dbraw/zinc/08/38/73/811083873.db2.gz VFHIBFRSNJFGHL-UNXYVOJBSA-N 2 1 282.388 -0.702 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100901516 811085062 /nfs/dbraw/zinc/08/50/62/811085062.db2.gz ANOAVNSEKGWETH-UHFFFAOYSA-N 2 1 270.377 -0.702 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001101036160 811091503 /nfs/dbraw/zinc/09/15/03/811091503.db2.gz JESSDQRTCMDHMI-UHFFFAOYSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351461 811104117 /nfs/dbraw/zinc/10/41/17/811104117.db2.gz GMHBSODSJDUAEP-ZOWXZIJZSA-N 2 1 296.415 -0.408 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001157335329 815424562 /nfs/dbraw/zinc/42/45/62/815424562.db2.gz GHJBXRSXIHMEFJ-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CSC[NH2+]1 ZINC001157323712 815423165 /nfs/dbraw/zinc/42/31/65/815423165.db2.gz WFRJELYGWDXFKT-IUCAKERBSA-N 2 1 274.390 -0.991 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[N@@H+](C)C(C)C ZINC001157323489 815423186 /nfs/dbraw/zinc/42/31/86/815423186.db2.gz SBUMWLVTQIRVEA-NSHDSACASA-N 2 1 272.393 -0.314 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001103755402 811186301 /nfs/dbraw/zinc/18/63/01/811186301.db2.gz GBUINBPWUZGVNS-CHWSQXEVSA-N 2 1 298.431 -0.114 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001103755402 811186305 /nfs/dbraw/zinc/18/63/05/811186305.db2.gz GBUINBPWUZGVNS-CHWSQXEVSA-N 2 1 298.431 -0.114 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001103755402 811186312 /nfs/dbraw/zinc/18/63/12/811186312.db2.gz GBUINBPWUZGVNS-CHWSQXEVSA-N 2 1 298.431 -0.114 20 0 CBADMP [NH3+]CCCC[C@H](NC(=O)[C@@H]1COC[NH2+]1)C(=O)N1CCCC1 ZINC001157368091 815428283 /nfs/dbraw/zinc/42/82/83/815428283.db2.gz CEFPRUYCAKMIHL-RYUDHWBXSA-N 2 1 298.387 -0.832 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001105064195 811213942 /nfs/dbraw/zinc/21/39/42/811213942.db2.gz BRAXQPIEYGYUQR-CHWSQXEVSA-N 2 1 298.431 -0.114 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]2CC[NH2+]C[C@@H]2F)n[nH]1 ZINC001157440376 815433992 /nfs/dbraw/zinc/43/39/92/815433992.db2.gz UNTREHHUKRGWFE-YUMQZZPRSA-N 2 1 268.296 -0.108 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])C(=O)C[C@@H]2COCC[NH2+]2)n[nH]1 ZINC001157439832 815434455 /nfs/dbraw/zinc/43/44/55/815434455.db2.gz MQPKPXHYEAJGQD-MRVPVSSYSA-N 2 1 266.305 -0.677 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@]2(N)CCC[NH2+]C2)n[nH]1 ZINC001157439321 815434495 /nfs/dbraw/zinc/43/44/95/815434495.db2.gz DRYHOGCTCYOJGX-NSHDSACASA-N 2 1 265.321 -0.975 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)n[nH]1 ZINC001157439311 815434550 /nfs/dbraw/zinc/43/45/50/815434550.db2.gz DOPUFCMVFBYZET-RWYTXXIDSA-N 2 1 277.332 -0.834 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2CC[NH2+]C[C@@H]2F)n[nH]1 ZINC001157440375 815434614 /nfs/dbraw/zinc/43/46/14/815434614.db2.gz UNTREHHUKRGWFE-SFYZADRCSA-N 2 1 268.296 -0.108 20 0 CBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001157451483 815435451 /nfs/dbraw/zinc/43/54/51/815435451.db2.gz VYZWGTIEYVSGIE-JQWIXIFHSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C1 ZINC001106839376 811318011 /nfs/dbraw/zinc/31/80/11/811318011.db2.gz FAQOFQLNTZZHOE-FRRDWIJNSA-N 2 1 298.431 -0.114 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC(=O)N(C2C[NH+](CC)C2)C1)[NH+](C)C ZINC001108577750 811459596 /nfs/dbraw/zinc/45/95/96/811459596.db2.gz OSHBAYYLNKQJPF-AAEUAGOBSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC)C2)C1 ZINC001108581671 811460196 /nfs/dbraw/zinc/46/01/96/811460196.db2.gz WPVWKQOVGMZMDT-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001109673759 811499823 /nfs/dbraw/zinc/49/98/23/811499823.db2.gz QFQPAMQRFNTSNZ-VOAKCMCISA-N 2 1 294.399 -0.452 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001109673759 811499826 /nfs/dbraw/zinc/49/98/26/811499826.db2.gz QFQPAMQRFNTSNZ-VOAKCMCISA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109978987 811506463 /nfs/dbraw/zinc/50/64/63/811506463.db2.gz OFDRQHNCMSIRQO-CRWXNKLISA-N 2 1 299.415 -0.333 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157702171 815453840 /nfs/dbraw/zinc/45/38/40/815453840.db2.gz NUMYUPHRVZBQFZ-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157702171 815453845 /nfs/dbraw/zinc/45/38/45/815453845.db2.gz NUMYUPHRVZBQFZ-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001157702171 815453850 /nfs/dbraw/zinc/45/38/50/815453850.db2.gz NUMYUPHRVZBQFZ-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001157702171 815453855 /nfs/dbraw/zinc/45/38/55/815453855.db2.gz NUMYUPHRVZBQFZ-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC ZINC001111229163 811543723 /nfs/dbraw/zinc/54/37/23/811543723.db2.gz ZJRZVBNGQMDIKG-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC ZINC001111229163 811543734 /nfs/dbraw/zinc/54/37/34/811543734.db2.gz ZJRZVBNGQMDIKG-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001111229163 811543740 /nfs/dbraw/zinc/54/37/40/811543740.db2.gz ZJRZVBNGQMDIKG-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001111229163 811543750 /nfs/dbraw/zinc/54/37/50/811543750.db2.gz ZJRZVBNGQMDIKG-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(N)=O ZINC001111464194 811549972 /nfs/dbraw/zinc/54/99/72/811549972.db2.gz LHPYOPIURCSMCA-LPWJVIDDSA-N 2 1 296.415 -0.078 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(N)=O ZINC001111464194 811549977 /nfs/dbraw/zinc/54/99/77/811549977.db2.gz LHPYOPIURCSMCA-LPWJVIDDSA-N 2 1 296.415 -0.078 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(N)=O ZINC001111464194 811549984 /nfs/dbraw/zinc/54/99/84/811549984.db2.gz LHPYOPIURCSMCA-LPWJVIDDSA-N 2 1 296.415 -0.078 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(N)=O ZINC001111464194 811549988 /nfs/dbraw/zinc/54/99/88/811549988.db2.gz LHPYOPIURCSMCA-LPWJVIDDSA-N 2 1 296.415 -0.078 20 0 CBADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)c1ccc([C@@H]([NH3+])CN)cc1 ZINC001157720228 815456484 /nfs/dbraw/zinc/45/64/84/815456484.db2.gz DBAWKQPSJUEPRR-KGLIPLIRSA-N 2 1 292.383 -0.295 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(N)=O)C2 ZINC001112009707 811560106 /nfs/dbraw/zinc/56/01/06/811560106.db2.gz PSALTYAJBWVWHU-WFASDCNBSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(N)=O)C2 ZINC001112009707 811560109 /nfs/dbraw/zinc/56/01/09/811560109.db2.gz PSALTYAJBWVWHU-WFASDCNBSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(N)=O)C2 ZINC001112009707 811560114 /nfs/dbraw/zinc/56/01/14/811560114.db2.gz PSALTYAJBWVWHU-WFASDCNBSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001112009707 811560116 /nfs/dbraw/zinc/56/01/16/811560116.db2.gz PSALTYAJBWVWHU-WFASDCNBSA-N 2 1 296.415 -0.217 20 0 CBADMP N[C@@H]1C[C@]2(C(=O)N3CCC[C@@](F)(C[NH3+])CC3)CC[C@H]1[NH2+]2 ZINC001157741011 815460438 /nfs/dbraw/zinc/46/04/38/815460438.db2.gz RWXGBOTZPNTSSJ-RFHZTLPTSA-N 2 1 284.379 -0.112 20 0 CBADMP [NH3+]C[C@@]1(F)CCCN(C(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001157753861 815463159 /nfs/dbraw/zinc/46/31/59/815463159.db2.gz GVLNCOQGCJHBQH-DGCLKSJQSA-N 2 1 273.352 -0.268 20 0 CBADMP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001157844302 815470559 /nfs/dbraw/zinc/47/05/59/815470559.db2.gz VWXOMMRBBJAHRM-JFGNBEQYSA-N 2 1 265.361 -0.135 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114406880 811746980 /nfs/dbraw/zinc/74/69/80/811746980.db2.gz MNVDRDMBPZPRAF-WUHRBBMRSA-N 2 1 281.400 -0.102 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21 ZINC001114426591 811749383 /nfs/dbraw/zinc/74/93/83/811749383.db2.gz PHEBVDSHLNZKRG-UUIJZJDISA-N 2 1 294.399 -0.608 20 0 CBADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001114426591 811749390 /nfs/dbraw/zinc/74/93/90/811749390.db2.gz PHEBVDSHLNZKRG-UUIJZJDISA-N 2 1 294.399 -0.608 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001114426591 811749394 /nfs/dbraw/zinc/74/93/94/811749394.db2.gz PHEBVDSHLNZKRG-UUIJZJDISA-N 2 1 294.399 -0.608 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114426591 811749398 /nfs/dbraw/zinc/74/93/98/811749398.db2.gz PHEBVDSHLNZKRG-UUIJZJDISA-N 2 1 294.399 -0.608 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114426591 811749403 /nfs/dbraw/zinc/74/94/03/811749403.db2.gz PHEBVDSHLNZKRG-UUIJZJDISA-N 2 1 294.399 -0.608 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21)[NH+](C)C ZINC001114460872 811750246 /nfs/dbraw/zinc/75/02/46/811750246.db2.gz IJEXOWSPJDAIOD-XZUYRWCXSA-N 2 1 282.388 -0.881 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21)[NH+](C)C ZINC001114460872 811750251 /nfs/dbraw/zinc/75/02/51/811750251.db2.gz IJEXOWSPJDAIOD-XZUYRWCXSA-N 2 1 282.388 -0.881 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1C[C@H](CO)CC(F)(F)C1 ZINC001157899602 815478242 /nfs/dbraw/zinc/47/82/42/815478242.db2.gz AJUBCBVSSQCDAV-SNVBAGLBSA-N 2 1 291.342 -0.196 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900880 815479543 /nfs/dbraw/zinc/47/95/43/815479543.db2.gz ULMHRCHYVDHXLL-YUMQZZPRSA-N 2 1 251.277 -0.861 20 0 CBADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2nc[nH]c2C1 ZINC001157922831 815483232 /nfs/dbraw/zinc/48/32/32/815483232.db2.gz ZXOYOAPGUICUPF-VIFPVBQESA-N 2 1 261.329 -0.897 20 0 CBADMP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2nc[nH]c2C1 ZINC001157922830 815483372 /nfs/dbraw/zinc/48/33/72/815483372.db2.gz ZXOYOAPGUICUPF-SECBINFHSA-N 2 1 261.329 -0.897 20 0 CBADMP [NH3+]Cc1ncn(-c2ccc(OCC3CC[NH2+]CC3)nn2)n1 ZINC001157931447 815484418 /nfs/dbraw/zinc/48/44/18/815484418.db2.gz MYXMIKHIMJYBDG-UHFFFAOYSA-N 2 1 289.343 -0.106 20 0 CBADMP Cc1nc(CCN(C)C(=O)C[NH2+]C2CC[NH2+]CC2)no1 ZINC001157983051 815494885 /nfs/dbraw/zinc/49/48/85/815494885.db2.gz MIJPXURXNQPBER-UHFFFAOYSA-N 2 1 281.360 -0.279 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158029236 815499646 /nfs/dbraw/zinc/49/96/46/815499646.db2.gz GTSTXENVLAHXQO-QWHCGFSZSA-N 2 1 296.415 -0.297 20 0 CBADMP N[C@@H]1C[C@]2(C(=O)N3CCC4(CC([NH3+])C4)CC3)CC[C@H]1[NH2+]2 ZINC001158082278 815502809 /nfs/dbraw/zinc/50/28/09/815502809.db2.gz NNXHZTQRMYGYKR-JMSVASOKSA-N 2 1 278.400 -0.062 20 0 CBADMP C[NH+]1CCN(c2ccc(-n3cc(CC[NH3+])cn3)nn2)CC1 ZINC001158096504 815503872 /nfs/dbraw/zinc/50/38/72/815503872.db2.gz ZDRJGYKEZWPFBM-UHFFFAOYSA-N 2 1 287.371 -0.085 20 0 CBADMP [NH3+][C@H](C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)c1ccccc1 ZINC001158091746 815504291 /nfs/dbraw/zinc/50/42/91/815504291.db2.gz HYTPAILEJOSKMH-DZGCQCFKSA-N 2 1 288.351 -0.623 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750901 812156368 /nfs/dbraw/zinc/15/63/68/812156368.db2.gz QNYSXTWDBYSXDY-KZVDOYCCSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778024 812159431 /nfs/dbraw/zinc/15/94/31/812159431.db2.gz DASQHGQDUZUKBD-SRRSOLGSSA-N 2 1 282.388 -0.752 20 0 CBADMP 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 812160681 /nfs/dbraw/zinc/16/06/81/812160681.db2.gz WGMAMGGMFBENRD-CIQGVGRVSA-N 2 1 296.415 -0.539 20 0 CBADMP 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 812164703 /nfs/dbraw/zinc/16/47/03/812164703.db2.gz QVSXXCZBOMFOMI-KZVDOYCCSA-N 2 1 296.415 -0.539 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114996657 812172285 /nfs/dbraw/zinc/17/22/85/812172285.db2.gz BZXUNKFQQDCXGQ-KZVDOYCCSA-N 2 1 296.415 -0.362 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126406 812180210 /nfs/dbraw/zinc/18/02/10/812180210.db2.gz NGIJMCFHYZIRJQ-CXTNEJHOSA-N 2 1 299.415 -0.354 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115152457 812181978 /nfs/dbraw/zinc/18/19/78/812181978.db2.gz UPMOONJNFMOLKA-DCQANWLSSA-N 2 1 282.388 -0.752 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115152457 812181986 /nfs/dbraw/zinc/18/19/86/812181986.db2.gz UPMOONJNFMOLKA-DCQANWLSSA-N 2 1 282.388 -0.752 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115152457 812181993 /nfs/dbraw/zinc/18/19/93/812181993.db2.gz UPMOONJNFMOLKA-DCQANWLSSA-N 2 1 282.388 -0.752 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115152457 812182002 /nfs/dbraw/zinc/18/20/02/812182002.db2.gz UPMOONJNFMOLKA-DCQANWLSSA-N 2 1 282.388 -0.752 20 0 CBADMP 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 812182715 /nfs/dbraw/zinc/18/27/15/812182715.db2.gz OLCGCEDIJPJTRI-NMKXLXIOSA-N 2 1 296.415 -0.491 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001115161875 812182719 /nfs/dbraw/zinc/18/27/19/812182719.db2.gz OLCGCEDIJPJTRI-NMKXLXIOSA-N 2 1 296.415 -0.491 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001115161875 812182725 /nfs/dbraw/zinc/18/27/25/812182725.db2.gz OLCGCEDIJPJTRI-NMKXLXIOSA-N 2 1 296.415 -0.491 20 0 CBADMP 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 812183662 /nfs/dbraw/zinc/18/36/62/812183662.db2.gz CSYDOEODSPQMRQ-KZVDOYCCSA-N 2 1 296.415 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]21 ZINC001115161329 812183667 /nfs/dbraw/zinc/18/36/67/812183667.db2.gz CSYDOEODSPQMRQ-KZVDOYCCSA-N 2 1 296.415 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]21 ZINC001115161329 812183669 /nfs/dbraw/zinc/18/36/69/812183669.db2.gz CSYDOEODSPQMRQ-KZVDOYCCSA-N 2 1 296.415 -0.362 20 0 CBADMP COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241848 812187246 /nfs/dbraw/zinc/18/72/46/812187246.db2.gz PPUBVMSTCFDQOI-RMRHIDDWSA-N 2 1 297.399 -0.864 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115303857 812191358 /nfs/dbraw/zinc/19/13/58/812191358.db2.gz LLEAXGUNFPYVBB-JYAVWHMHSA-N 2 1 296.415 -0.491 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115303857 812191363 /nfs/dbraw/zinc/19/13/63/812191363.db2.gz LLEAXGUNFPYVBB-JYAVWHMHSA-N 2 1 296.415 -0.491 20 0 CBADMP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115303857 812191370 /nfs/dbraw/zinc/19/13/70/812191370.db2.gz LLEAXGUNFPYVBB-JYAVWHMHSA-N 2 1 296.415 -0.491 20 0 CBADMP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115303857 812191376 /nfs/dbraw/zinc/19/13/76/812191376.db2.gz LLEAXGUNFPYVBB-JYAVWHMHSA-N 2 1 296.415 -0.491 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)CC2 ZINC001158347126 815522190 /nfs/dbraw/zinc/52/21/90/815522190.db2.gz GGTAETWIGPZCLF-CABZTGNLSA-N 2 1 264.329 -0.774 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCOCCO)CC[N@H+]1C ZINC001158381164 815523175 /nfs/dbraw/zinc/52/31/75/815523175.db2.gz ZAEDVDSJQMYNBZ-CHWSQXEVSA-N 2 1 287.404 -0.569 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H](C)C(N)=O)CC[N@H+]1C ZINC001158403210 815527247 /nfs/dbraw/zinc/52/72/47/815527247.db2.gz BGUVEDIYQJDUBI-GRYCIOLGSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nncn2C)CC[N@H+]1C ZINC001158421124 815528329 /nfs/dbraw/zinc/52/83/29/815528329.db2.gz SCZNKRCEZMEQEC-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2cn(C)nn2)CC[N@H+]1C ZINC001158428721 815529031 /nfs/dbraw/zinc/52/90/31/815529031.db2.gz QCGNIOSWXGNTNY-DGCLKSJQSA-N 2 1 294.403 -0.249 20 0 CBADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001118198869 812492686 /nfs/dbraw/zinc/49/26/86/812492686.db2.gz XCFKAGPOZMXEKD-GFCCVEGCSA-N 3 1 254.378 -0.521 20 0 CBADMP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N2CCNCC2)C1 ZINC001118198869 812492694 /nfs/dbraw/zinc/49/26/94/812492694.db2.gz XCFKAGPOZMXEKD-GFCCVEGCSA-N 2 1 254.378 -0.521 20 0 CBADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N2CCNCC2)C1 ZINC001118198869 812492697 /nfs/dbraw/zinc/49/26/97/812492697.db2.gz XCFKAGPOZMXEKD-GFCCVEGCSA-N 2 1 254.378 -0.521 20 0 CBADMP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC001118222872 812499425 /nfs/dbraw/zinc/49/94/25/812499425.db2.gz JJZSCSINMREURT-LLVKDONJSA-N 2 1 265.361 -0.341 20 0 CBADMP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC001118222872 812499432 /nfs/dbraw/zinc/49/94/32/812499432.db2.gz JJZSCSINMREURT-LLVKDONJSA-N 2 1 265.361 -0.341 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)CC[N@H+]1C ZINC001118337471 812534316 /nfs/dbraw/zinc/53/43/16/812534316.db2.gz NYVLODUUWCJIPH-UTUOFQBUSA-N 2 1 256.394 -0.136 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC001118483401 812554094 /nfs/dbraw/zinc/55/40/94/812554094.db2.gz XQAAIKVKUZXPNX-MNOVXSKESA-N 2 1 295.387 -0.332 20 0 CBADMP COCCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158508277 815536493 /nfs/dbraw/zinc/53/64/93/815536493.db2.gz UYPOWPGOZJFIJR-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP [NH3+]C[C@H]1CC(C(=O)N2CC[NH2+]C[C@H]2C(F)F)=NO1 ZINC001118505420 812561384 /nfs/dbraw/zinc/56/13/84/812561384.db2.gz CYIOPIQDGQZBRT-SVRRBLITSA-N 2 1 262.260 -0.845 20 0 CBADMP CN1CCC[C@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)C1=O ZINC001118507150 812564090 /nfs/dbraw/zinc/56/40/90/812564090.db2.gz VVUWZIOWNIPWNR-STQMWFEESA-N 2 1 266.389 -0.413 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567169 815537992 /nfs/dbraw/zinc/53/79/92/815537992.db2.gz FKTJUIFUYOTHIC-YUSALJHKSA-N 2 1 295.362 -0.185 20 0 CBADMP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3COC[NH2+]3)C[C@H]2CF)CC1 ZINC001158569275 815538138 /nfs/dbraw/zinc/53/81/38/815538138.db2.gz XKRKWHPZVKBMCD-BBBLOLIVSA-N 2 1 257.309 -0.532 20 0 CBADMP COC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118576655 812583048 /nfs/dbraw/zinc/58/30/48/812583048.db2.gz UFAHCLHZAXJNTI-OLZOCXBDSA-N 2 1 258.362 -0.163 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158577061 815539085 /nfs/dbraw/zinc/53/90/85/815539085.db2.gz GDJVCKAMTCCDFA-GUBZILKMSA-N 3 1 258.341 -0.802 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158577062 815539158 /nfs/dbraw/zinc/53/91/58/815539158.db2.gz GDJVCKAMTCCDFA-UTLUCORTSA-N 3 1 258.341 -0.802 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001158604204 815540816 /nfs/dbraw/zinc/54/08/16/815540816.db2.gz KRSWTCAZOBIGQH-VXGBXAGGSA-N 2 1 273.352 -0.275 20 0 CBADMP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1cc[nH+]c(N)n1)CC2 ZINC001158634827 815541946 /nfs/dbraw/zinc/54/19/46/815541946.db2.gz HEUWDQVTGURCMX-NOZJJQNGSA-N 2 1 277.328 -0.210 20 0 CBADMP O=C1CC2(CCOCC2)[N@@H+](C[C@@H]2CC[NH2+]C2)CCN1 ZINC001118994294 812686869 /nfs/dbraw/zinc/68/68/69/812686869.db2.gz SRUDPHOOHGCVCW-GFCCVEGCSA-N 2 1 267.373 -0.033 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001119294809 812744126 /nfs/dbraw/zinc/74/41/26/812744126.db2.gz KFXCMVRZSVTGSC-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC001119296523 812745799 /nfs/dbraw/zinc/74/57/99/812745799.db2.gz VBFRVVFQYRIXGJ-CHWSQXEVSA-N 2 1 286.395 -0.312 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1C ZINC001119348504 812762672 /nfs/dbraw/zinc/76/26/72/812762672.db2.gz BJKYBWIYHIMBTM-LPWJVIDDSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119356635 812765614 /nfs/dbraw/zinc/76/56/14/812765614.db2.gz JPXIEQWJSNCXFM-ZPFDUUQYSA-N 2 1 294.399 -0.561 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001119369098 812769728 /nfs/dbraw/zinc/76/97/28/812769728.db2.gz SALORSRQQXHEGY-FRRDWIJNSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC001119410343 812776717 /nfs/dbraw/zinc/77/67/17/812776717.db2.gz XQQBMLPTTBLDMT-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119427248 812782057 /nfs/dbraw/zinc/78/20/57/812782057.db2.gz JREPUQRTNRKWGO-TUAOUCFPSA-N 2 1 282.388 -0.560 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@@H]1CNC(=O)C1)C1CC1 ZINC001120277615 812946081 /nfs/dbraw/zinc/94/60/81/812946081.db2.gz LCTSQUKYLQIKIE-JQWIXIFHSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@@H]1CNC(=O)C1)C1CC1 ZINC001120277615 812946085 /nfs/dbraw/zinc/94/60/85/812946085.db2.gz LCTSQUKYLQIKIE-JQWIXIFHSA-N 2 1 255.362 -0.443 20 0 CBADMP C[NH2+]CCC[NH+]1C[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001120362237 812953392 /nfs/dbraw/zinc/95/33/92/812953392.db2.gz IZBNYUPAGGYYEX-NXEZZACHSA-N 2 1 258.318 -0.510 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001120432029 812964387 /nfs/dbraw/zinc/96/43/87/812964387.db2.gz CMBZKIQSJSUALD-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001120480734 812973020 /nfs/dbraw/zinc/97/30/20/812973020.db2.gz BQTVFMYCCOXZMQ-HUUCEWRRSA-N 3 1 284.448 -0.474 20 0 CBADMP [NH3+]CCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001120625499 813002454 /nfs/dbraw/zinc/00/24/54/813002454.db2.gz JMOSPLLVZPSPAK-NWDGAFQWSA-N 2 1 270.377 -0.424 20 0 CBADMP [NH3+]CCOCCOCCNc1[nH+]ccc2c1NC(=O)CO2 ZINC001159445267 815574134 /nfs/dbraw/zinc/57/41/34/815574134.db2.gz IKTAGYRZFGSLGZ-UHFFFAOYSA-N 2 1 296.327 -0.184 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC001121809850 813075566 /nfs/dbraw/zinc/07/55/66/813075566.db2.gz ASBMRNSOYSDIPH-OSMZGAPFSA-N 2 1 266.389 -0.382 20 0 CBADMP C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001121895091 813083969 /nfs/dbraw/zinc/08/39/69/813083969.db2.gz ARGUAYRUSJNWMK-YPMHNXCESA-N 2 1 266.389 -0.415 20 0 CBADMP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001121896184 813085527 /nfs/dbraw/zinc/08/55/27/813085527.db2.gz HLBQGEVQLQPQLR-STQMWFEESA-N 2 1 268.405 -0.121 20 0 CBADMP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001121896182 813085619 /nfs/dbraw/zinc/08/56/19/813085619.db2.gz HLBQGEVQLQPQLR-OLZOCXBDSA-N 2 1 268.405 -0.121 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCC[NH+]1CCOCC1 ZINC001121897821 813086332 /nfs/dbraw/zinc/08/63/32/813086332.db2.gz PKCNLLXZNPEXMW-NEPJUHHUSA-N 2 1 273.377 -0.959 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC[NH2+]1 ZINC001121896534 813086503 /nfs/dbraw/zinc/08/65/03/813086503.db2.gz INEOSWXDIPMXHN-UTUOFQBUSA-N 2 1 252.362 -0.805 20 0 CBADMP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001121895614 813086542 /nfs/dbraw/zinc/08/65/42/813086542.db2.gz DMRFCGVJQXKRJM-DYEKYZERSA-N 2 1 268.405 -0.136 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121909461 813089064 /nfs/dbraw/zinc/08/90/64/813089064.db2.gz RQGCWWYJVZUAGN-VXGBXAGGSA-N 2 1 282.388 -0.748 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CNCC[NH3+])[C@H](C)C1 ZINC001122002538 813102292 /nfs/dbraw/zinc/10/22/92/813102292.db2.gz GNAWOFHLFROBEP-VXGBXAGGSA-N 2 1 256.394 -0.277 20 0 CBADMP COCC[NH2+]CCNC(=O)[C@H]1[NH2+]CCc2occc21 ZINC001122010772 813104033 /nfs/dbraw/zinc/10/40/33/813104033.db2.gz YJQFMXQAMMWQAB-LBPRGKRZSA-N 2 1 267.329 -0.181 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001122080164 813114040 /nfs/dbraw/zinc/11/40/40/813114040.db2.gz CIVYUHOYYKECEN-LPWJVIDDSA-N 2 1 266.389 -0.239 20 0 CBADMP [NH3+][C@H](CO)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001122166920 813126913 /nfs/dbraw/zinc/12/69/13/813126913.db2.gz PZTMOLYOMJWGQM-KXUCPTDWSA-N 2 1 259.375 -0.998 20 0 CBADMP [NH3+][C@H](CO)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001122166920 813126920 /nfs/dbraw/zinc/12/69/20/813126920.db2.gz PZTMOLYOMJWGQM-KXUCPTDWSA-N 2 1 259.375 -0.998 20 0 CBADMP CC(C)[C@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)CC[N@H+]1C ZINC001122191653 813130433 /nfs/dbraw/zinc/13/04/33/813130433.db2.gz NHHWHXVJJUHPED-CHWSQXEVSA-N 2 1 268.405 -0.311 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001122197178 813132082 /nfs/dbraw/zinc/13/20/82/813132082.db2.gz XTWXJZZSLYVCTK-CYDGBPFRSA-N 2 1 266.389 -0.239 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC001122205358 813133308 /nfs/dbraw/zinc/13/33/08/813133308.db2.gz GWWRUVIUGOUOPA-VXGBXAGGSA-N 2 1 255.362 -0.096 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC001122205358 813133312 /nfs/dbraw/zinc/13/33/12/813133312.db2.gz GWWRUVIUGOUOPA-VXGBXAGGSA-N 2 1 255.362 -0.096 20 0 CBADMP C[N@@H+]1CCN(C(=O)C2(C[NH3+])CC(O)C2)CC1(C)C ZINC001122214704 813133669 /nfs/dbraw/zinc/13/36/69/813133669.db2.gz PHLNTZBGNLBMEQ-UHFFFAOYSA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@H+]1CCN(C(=O)C2(C[NH3+])CC(O)C2)CC1(C)C ZINC001122214704 813133676 /nfs/dbraw/zinc/13/36/76/813133676.db2.gz PHLNTZBGNLBMEQ-UHFFFAOYSA-N 2 1 255.362 -0.361 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C)N1CC[NH+](C)CC1 ZINC001122224059 813136293 /nfs/dbraw/zinc/13/62/93/813136293.db2.gz CDMQYOFCZWEEOU-GRYCIOLGSA-N 2 1 254.378 -0.654 20 0 CBADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCCCC[NH+]1CCNCC1 ZINC001122278499 813139254 /nfs/dbraw/zinc/13/92/54/813139254.db2.gz WOJSFFUCFSNADA-UONOGXRCSA-N 2 1 298.431 -0.458 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@H](O)C[NH3+] ZINC001122339812 813149339 /nfs/dbraw/zinc/14/93/39/813149339.db2.gz HHFQIAAHKXTUCY-VXGBXAGGSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@H](O)C[NH3+] ZINC001122339809 813149574 /nfs/dbraw/zinc/14/95/74/813149574.db2.gz HHFQIAAHKXTUCY-NWDGAFQWSA-N 2 1 257.378 -0.115 20 0 CBADMP CN1CCN(C(=O)CC2CC([NH3+])C2)CC[N@@H+](C)CC1 ZINC001122376799 813155819 /nfs/dbraw/zinc/15/58/19/813155819.db2.gz FPYAXYLYNCMXCW-UHFFFAOYSA-N 2 1 268.405 -0.180 20 0 CBADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCN(C)CC[N@H+](C)CC2)C1 ZINC001122376772 813156164 /nfs/dbraw/zinc/15/61/64/813156164.db2.gz FOBMGZFYAZQYAL-UKRRQHHQSA-N 2 1 298.431 -0.541 20 0 CBADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCN(C)CC[N@@H+](C)CC2)C1 ZINC001122376772 813156168 /nfs/dbraw/zinc/15/61/68/813156168.db2.gz FOBMGZFYAZQYAL-UKRRQHHQSA-N 2 1 298.431 -0.541 20 0 CBADMP C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001122448297 813165072 /nfs/dbraw/zinc/16/50/72/813165072.db2.gz MEZGFYYOSILBMF-KKOKHZNYSA-N 2 1 254.378 -0.526 20 0 CBADMP N[C@@H](CCC[NH3+])Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001159786283 815594973 /nfs/dbraw/zinc/59/49/73/815594973.db2.gz XOPOTODUFABSOC-SNVBAGLBSA-N 2 1 265.365 -0.678 20 0 CBADMP CS(=O)(=O)c1cccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159786312 815595093 /nfs/dbraw/zinc/59/50/93/815595093.db2.gz YBEUEYRZLADAIV-VIFPVBQESA-N 2 1 258.347 -0.079 20 0 CBADMP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001122484295 813169577 /nfs/dbraw/zinc/16/95/77/813169577.db2.gz NYECAZVSFQGKNF-RNJOBUHISA-N 2 1 266.389 -0.654 20 0 CBADMP N[C@H](CCC[NH3+])Nc1ncnc2c1CC[NH2+]CC2 ZINC001159780031 815595164 /nfs/dbraw/zinc/59/51/64/815595164.db2.gz ODGMBXVXMZDMCD-NSHDSACASA-N 2 1 250.350 -0.400 20 0 CBADMP Cc1cc(N[C@@H](CO)CNC(=O)CC[NH+](C)C)nc(C)[nH+]1 ZINC001122535621 813174507 /nfs/dbraw/zinc/17/45/07/813174507.db2.gz ZFCIOGVJVYHJEH-GFCCVEGCSA-N 2 1 295.387 -0.066 20 0 CBADMP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001122535923 813174852 /nfs/dbraw/zinc/17/48/52/813174852.db2.gz LSZNZNBAMPLOTM-UTUOFQBUSA-N 2 1 255.362 -0.219 20 0 CBADMP O=C([C@H]1CC[NH2+]1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001122535762 813175060 /nfs/dbraw/zinc/17/50/60/813175060.db2.gz HGMUJJUOBVVYPL-IJLUTSLNSA-N 2 1 253.346 -0.594 20 0 CBADMP N[C@@H](CCC[NH3+])Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC001159787090 815596052 /nfs/dbraw/zinc/59/60/52/815596052.db2.gz RCHZEVDFPKIGBA-GFCCVEGCSA-N 2 1 264.377 -0.073 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001123878683 813286193 /nfs/dbraw/zinc/28/61/93/813286193.db2.gz ZQEFHJFRTOLGRT-QJPTWQEYSA-N 2 1 254.378 -0.559 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC001124836398 813484969 /nfs/dbraw/zinc/48/49/69/813484969.db2.gz GJSUDPFWHJUPEV-LBPRGKRZSA-N 2 1 265.361 -0.280 20 0 CBADMP CCn1c(C)nnc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124836892 813485893 /nfs/dbraw/zinc/48/58/93/813485893.db2.gz IPDOSEUJUOXZQX-LBPRGKRZSA-N 2 1 294.403 -0.094 20 0 CBADMP CCn1c(C)nnc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124836892 813485899 /nfs/dbraw/zinc/48/58/99/813485899.db2.gz IPDOSEUJUOXZQX-LBPRGKRZSA-N 2 1 294.403 -0.094 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001124836576 813486731 /nfs/dbraw/zinc/48/67/31/813486731.db2.gz HCZNBKJSRFCPKC-LLVKDONJSA-N 2 1 268.361 -0.981 20 0 CBADMP CN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001124866773 813489963 /nfs/dbraw/zinc/48/99/63/813489963.db2.gz KNGWCORGEPCMNN-WDEREUQCSA-N 2 1 268.361 -0.983 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124872459 813490784 /nfs/dbraw/zinc/49/07/84/813490784.db2.gz GOSMDGUEOXPBLT-GFCCVEGCSA-N 2 1 280.376 -0.402 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124872492 813491098 /nfs/dbraw/zinc/49/10/98/813491098.db2.gz HTRGWUWGOPLSHZ-LLVKDONJSA-N 2 1 280.376 -0.402 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124872492 813491102 /nfs/dbraw/zinc/49/11/02/813491102.db2.gz HTRGWUWGOPLSHZ-LLVKDONJSA-N 2 1 280.376 -0.402 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCn1cccn1 ZINC001124867447 813491292 /nfs/dbraw/zinc/49/12/92/813491292.db2.gz VZBRKHKIMZLWSE-GFCCVEGCSA-N 2 1 265.361 -0.317 20 0 CBADMP CCCn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124872830 813491459 /nfs/dbraw/zinc/49/14/59/813491459.db2.gz NQBKJHVIAOKNCF-GFCCVEGCSA-N 2 1 294.403 -0.012 20 0 CBADMP CCCn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124872830 813491463 /nfs/dbraw/zinc/49/14/63/813491463.db2.gz NQBKJHVIAOKNCF-GFCCVEGCSA-N 2 1 294.403 -0.012 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001124872419 813491766 /nfs/dbraw/zinc/49/17/66/813491766.db2.gz FQFFJFUIGADUPN-LLVKDONJSA-N 2 1 298.366 -0.452 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001124872419 813491767 /nfs/dbraw/zinc/49/17/67/813491767.db2.gz FQFFJFUIGADUPN-LLVKDONJSA-N 2 1 298.366 -0.452 20 0 CBADMP CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124872479 813492242 /nfs/dbraw/zinc/49/22/42/813492242.db2.gz HIOBOGMFYYAAGZ-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP COc1cc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)on1 ZINC001124879112 813493404 /nfs/dbraw/zinc/49/34/04/813493404.db2.gz PZJQPCQCTZSSRI-NSHDSACASA-N 2 1 282.344 -0.017 20 0 CBADMP COc1cc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)on1 ZINC001124879112 813493407 /nfs/dbraw/zinc/49/34/07/813493407.db2.gz PZJQPCQCTZSSRI-NSHDSACASA-N 2 1 282.344 -0.017 20 0 CBADMP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124879541 813494239 /nfs/dbraw/zinc/49/42/39/813494239.db2.gz VVDSZOHIDLMNCZ-LBPRGKRZSA-N 2 1 299.419 -0.506 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001124879658 813494468 /nfs/dbraw/zinc/49/44/68/813494468.db2.gz YBBCGYMOVNHVOP-NEPJUHHUSA-N 2 1 292.387 -0.435 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001124878762 813494558 /nfs/dbraw/zinc/49/45/58/813494558.db2.gz OIDLNAFMAQKMRR-NSHDSACASA-N 2 1 266.349 -0.922 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001124879472 813494605 /nfs/dbraw/zinc/49/46/05/813494605.db2.gz UQCIUTAVCDJXEI-OLZOCXBDSA-N 2 1 296.415 -0.297 20 0 CBADMP CCCCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125207856 813530563 /nfs/dbraw/zinc/53/05/63/813530563.db2.gz ADQWNTSHOMIDFL-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP CCCCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125207856 813530570 /nfs/dbraw/zinc/53/05/70/813530570.db2.gz ADQWNTSHOMIDFL-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP CCO[C@H](C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001125219766 813533162 /nfs/dbraw/zinc/53/31/62/813533162.db2.gz BJXBNAVXHLGWQC-ZIAGYGMSSA-N 2 1 299.415 -0.162 20 0 CBADMP CCO[C@H](C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001125219766 813533166 /nfs/dbraw/zinc/53/31/66/813533166.db2.gz BJXBNAVXHLGWQC-ZIAGYGMSSA-N 2 1 299.415 -0.162 20 0 CBADMP CO[C@H](C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CCC1 ZINC001125220163 813533755 /nfs/dbraw/zinc/53/37/55/813533755.db2.gz DCXDLUPUPPUSQC-ZIAGYGMSSA-N 2 1 299.415 -0.162 20 0 CBADMP CO[C@H](C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCC1 ZINC001125220163 813533759 /nfs/dbraw/zinc/53/37/59/813533759.db2.gz DCXDLUPUPPUSQC-ZIAGYGMSSA-N 2 1 299.415 -0.162 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCC[C@@H]2CCOC2)C1 ZINC001125220422 813533774 /nfs/dbraw/zinc/53/37/74/813533774.db2.gz HSFRRHWLVFOUFV-KGLIPLIRSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCC[C@@H]2CCOC2)C1 ZINC001125220422 813533779 /nfs/dbraw/zinc/53/37/79/813533779.db2.gz HSFRRHWLVFOUFV-KGLIPLIRSA-N 2 1 299.415 -0.161 20 0 CBADMP C[C@H](F)CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125219748 813533816 /nfs/dbraw/zinc/53/38/16/813533816.db2.gz AZWCAZLBAKUQLP-WDEREUQCSA-N 2 1 261.341 -0.229 20 0 CBADMP C[C@H](F)CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125219748 813533824 /nfs/dbraw/zinc/53/38/24/813533824.db2.gz AZWCAZLBAKUQLP-WDEREUQCSA-N 2 1 261.341 -0.229 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCC2CCOCC2)C1 ZINC001125221650 813535660 /nfs/dbraw/zinc/53/56/60/813535660.db2.gz RJNULYDORHBKGB-CQSZACIVSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCC2CCOCC2)C1 ZINC001125221650 813535664 /nfs/dbraw/zinc/53/56/64/813535664.db2.gz RJNULYDORHBKGB-CQSZACIVSA-N 2 1 299.415 -0.161 20 0 CBADMP C[C@H](O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220526 813536611 /nfs/dbraw/zinc/53/66/11/813536611.db2.gz IOOYPYQMCLMMKB-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@H](O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220526 813536621 /nfs/dbraw/zinc/53/66/21/813536621.db2.gz IOOYPYQMCLMMKB-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP COCCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125226863 813537647 /nfs/dbraw/zinc/53/76/47/813537647.db2.gz JBHSHMGAUNBOLO-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP COCCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125226863 813537655 /nfs/dbraw/zinc/53/76/55/813537655.db2.gz JBHSHMGAUNBOLO-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC2CCOCC2)C1 ZINC001125227558 813537791 /nfs/dbraw/zinc/53/77/91/813537791.db2.gz WEILGLZEZWDCHU-ZDUSSCGKSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC2CCOCC2)C1 ZINC001125227558 813537797 /nfs/dbraw/zinc/53/77/97/813537797.db2.gz WEILGLZEZWDCHU-ZDUSSCGKSA-N 2 1 285.388 -0.551 20 0 CBADMP CC[C@@H](C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)OC ZINC001125223190 813538660 /nfs/dbraw/zinc/53/86/60/813538660.db2.gz YWDPIMIHVDSCGO-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[C@@H](C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)OC ZINC001125223190 813538665 /nfs/dbraw/zinc/53/86/65/813538665.db2.gz YWDPIMIHVDSCGO-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP CCOCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125227214 813538855 /nfs/dbraw/zinc/53/88/55/813538855.db2.gz OPFIFSTWUXHTBD-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP CCOCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125227214 813538858 /nfs/dbraw/zinc/53/88/58/813538858.db2.gz OPFIFSTWUXHTBD-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066829 813709975 /nfs/dbraw/zinc/70/99/75/813709975.db2.gz SRCMDBHCHVSLQS-NSHDSACASA-N 2 1 270.377 -0.689 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066248 813710207 /nfs/dbraw/zinc/71/02/07/813710207.db2.gz KFFDZFSMPSRZFT-LBPRGKRZSA-N 2 1 284.404 -0.299 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCOCCO ZINC001127067120 813710447 /nfs/dbraw/zinc/71/04/47/813710447.db2.gz WVUJEVHLMBZZIW-CYBMUJFWSA-N 2 1 287.404 -0.426 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCO ZINC001127081730 813711468 /nfs/dbraw/zinc/71/14/68/813711468.db2.gz AEFQYGIHQUXSGJ-LBPRGKRZSA-N 2 1 257.378 -0.053 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001127082562 813711837 /nfs/dbraw/zinc/71/18/37/813711837.db2.gz UYEGNLNFDAJZRH-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127257354 813721880 /nfs/dbraw/zinc/72/18/80/813721880.db2.gz XVMPCHHYVNWZKY-QWHCGFSZSA-N 2 1 296.415 -0.297 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127260228 813722002 /nfs/dbraw/zinc/72/20/02/813722002.db2.gz AABUTXNJRFNSDL-RYUDHWBXSA-N 2 1 255.362 -0.441 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256003 813722235 /nfs/dbraw/zinc/72/22/35/813722235.db2.gz LVIOJKBCDOUZHS-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357483 813724921 /nfs/dbraw/zinc/72/49/21/813724921.db2.gz ZDVQMRVUFABRPT-LBPRGKRZSA-N 2 1 296.415 -0.168 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475128 813731267 /nfs/dbraw/zinc/73/12/67/813731267.db2.gz RFZRNTWKYSFGSX-CYBMUJFWSA-N 2 1 291.399 -0.032 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001127638603 813738830 /nfs/dbraw/zinc/73/88/30/813738830.db2.gz NJSMSSSPOTWWQF-MWLCHTKSSA-N 2 1 280.376 -0.341 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001127638603 813738837 /nfs/dbraw/zinc/73/88/37/813738837.db2.gz NJSMSSSPOTWWQF-MWLCHTKSSA-N 2 1 280.376 -0.341 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001127643798 813738934 /nfs/dbraw/zinc/73/89/34/813738934.db2.gz LOVBLTYOBYXGHT-QJPTWQEYSA-N 2 1 284.404 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001127644263 813739534 /nfs/dbraw/zinc/73/95/34/813739534.db2.gz XESHXQSUBXEBMW-UTUOFQBUSA-N 2 1 282.388 -0.737 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127639385 813739833 /nfs/dbraw/zinc/73/98/33/813739833.db2.gz ZFULYGQWAJCDFB-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127690743 813741358 /nfs/dbraw/zinc/74/13/58/813741358.db2.gz RZXFPKVCIWUZKB-VXGBXAGGSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127690743 813741363 /nfs/dbraw/zinc/74/13/63/813741363.db2.gz RZXFPKVCIWUZKB-VXGBXAGGSA-N 2 1 294.403 -0.156 20 0 CBADMP CC(C)OCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127760320 813746650 /nfs/dbraw/zinc/74/66/50/813746650.db2.gz JEGHPCWXODIPLX-KBPBESRZSA-N 2 1 299.415 -0.020 20 0 CBADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001128774877 813796771 /nfs/dbraw/zinc/79/67/71/813796771.db2.gz XOQOGJFFNPRMCT-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001128774877 813796779 /nfs/dbraw/zinc/79/67/79/813796779.db2.gz XOQOGJFFNPRMCT-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC ZINC001128773534 813796794 /nfs/dbraw/zinc/79/67/94/813796794.db2.gz AQGJUGKGPBPDNN-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC ZINC001128773909 813796939 /nfs/dbraw/zinc/79/69/39/813796939.db2.gz IHUGXKQIEOHABG-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001128779173 813798830 /nfs/dbraw/zinc/79/88/30/813798830.db2.gz QODNMBLNJGFDTF-ZDUSSCGKSA-N 2 1 294.403 -0.105 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001128779173 813798836 /nfs/dbraw/zinc/79/88/36/813798836.db2.gz QODNMBLNJGFDTF-ZDUSSCGKSA-N 2 1 294.403 -0.105 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001128778736 813798995 /nfs/dbraw/zinc/79/89/95/813798995.db2.gz LEJYNUOOCHKRDO-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COC ZINC001128778740 813799225 /nfs/dbraw/zinc/79/92/25/813799225.db2.gz LFRUWOYJTMBWHG-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001128778738 813799761 /nfs/dbraw/zinc/79/97/61/813799761.db2.gz LFRUWOYJTMBWHG-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001129328315 813836383 /nfs/dbraw/zinc/83/63/83/813836383.db2.gz OGFWQCMTOWRBJH-CYBMUJFWSA-N 2 1 298.431 -0.242 20 0 CBADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]CCCF ZINC001129387751 813838823 /nfs/dbraw/zinc/83/88/23/813838823.db2.gz YRNJXDBUHFPBJN-GFCCVEGCSA-N 2 1 285.367 -0.121 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC)C[C@@H]1n1ccnn1 ZINC001129407255 813839589 /nfs/dbraw/zinc/83/95/89/813839589.db2.gz KDFBKLANOSILRB-OLZOCXBDSA-N 2 1 294.403 -0.019 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC)C[C@@H]1n1ccnn1 ZINC001129407255 813839602 /nfs/dbraw/zinc/83/96/02/813839602.db2.gz KDFBKLANOSILRB-OLZOCXBDSA-N 2 1 294.403 -0.019 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC)C[C@@H]1n1ccnn1 ZINC001129407255 813839615 /nfs/dbraw/zinc/83/96/15/813839615.db2.gz KDFBKLANOSILRB-OLZOCXBDSA-N 2 1 294.403 -0.019 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1n1ccnn1 ZINC001129407255 813839627 /nfs/dbraw/zinc/83/96/27/813839627.db2.gz KDFBKLANOSILRB-OLZOCXBDSA-N 2 1 294.403 -0.019 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129416144 813840501 /nfs/dbraw/zinc/84/05/01/813840501.db2.gz DUVBMRMZYXICQN-VXGBXAGGSA-N 2 1 296.371 -0.526 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129416834 813840825 /nfs/dbraw/zinc/84/08/25/813840825.db2.gz KDAGUBOLIPXMRA-SNVBAGLBSA-N 2 1 279.344 -0.788 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435352 813843530 /nfs/dbraw/zinc/84/35/30/813843530.db2.gz GFJGQTFOKGLMNB-GFCCVEGCSA-N 2 1 280.376 -0.639 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001129437206 813845303 /nfs/dbraw/zinc/84/53/03/813845303.db2.gz XRGVRNGYNYRRGB-GFCCVEGCSA-N 2 1 280.376 -0.639 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+]CCOCCO)C1CCC1 ZINC001129531767 813849188 /nfs/dbraw/zinc/84/91/88/813849188.db2.gz JUICUIYUWWQMKH-UHFFFAOYSA-N 2 1 273.377 -0.815 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+]CC(=O)NC1CC1)C1CCC1 ZINC001129532432 813850264 /nfs/dbraw/zinc/85/02/64/813850264.db2.gz ZYKVUHOCQQKUJG-UHFFFAOYSA-N 2 1 282.388 -0.545 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129532376 813850283 /nfs/dbraw/zinc/85/02/83/813850283.db2.gz ZKIWWIQOWHAIRJ-LBPRGKRZSA-N 2 1 273.377 -0.816 20 0 CBADMP CN1CC[C@H]([NH2+]CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001129839515 813869409 /nfs/dbraw/zinc/86/94/09/813869409.db2.gz AWROBTJDMYBMBZ-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129839434 813869445 /nfs/dbraw/zinc/86/94/45/813869445.db2.gz ACNCTNYKBLISAI-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP Cn1nnnc1C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129849669 813869861 /nfs/dbraw/zinc/86/98/61/813869861.db2.gz PORNLGQJDWFBME-LLVKDONJSA-N 2 1 295.391 -0.710 20 0 CBADMP Cn1nnnc1C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129849669 813869871 /nfs/dbraw/zinc/86/98/71/813869871.db2.gz PORNLGQJDWFBME-LLVKDONJSA-N 2 1 295.391 -0.710 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129856403 813870530 /nfs/dbraw/zinc/87/05/30/813870530.db2.gz QGGRKSQNHQMMPE-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129856403 813870535 /nfs/dbraw/zinc/87/05/35/813870535.db2.gz QGGRKSQNHQMMPE-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP Cn1nncc1C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129855619 813871622 /nfs/dbraw/zinc/87/16/22/813871622.db2.gz HWMKRGVTOXIHDC-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC2CC2)O1 ZINC001130180491 813913274 /nfs/dbraw/zinc/91/32/74/813913274.db2.gz PODQVWNKIMCHDP-ZYHUDNBSSA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC2CC2)O1 ZINC001130180491 813913278 /nfs/dbraw/zinc/91/32/78/813913278.db2.gz PODQVWNKIMCHDP-ZYHUDNBSSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[C@H](C(=O)NCC[NH2+]Cc1ccn(C)n1)[NH+](C)C ZINC001130198112 813915341 /nfs/dbraw/zinc/91/53/41/813915341.db2.gz UYDYKMHFVKCAHC-GFCCVEGCSA-N 2 1 267.377 -0.034 20 0 CBADMP CC[C@H](C(=O)NCC[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001130197975 813915896 /nfs/dbraw/zinc/91/58/96/813915896.db2.gz UCTUKXNEBPRBCS-SNVBAGLBSA-N 2 1 268.365 -0.639 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H]2CCOC2)O1 ZINC001130184483 813916149 /nfs/dbraw/zinc/91/61/49/813916149.db2.gz SDTGWGJMBBYJPH-JHJVBQTASA-N 2 1 285.388 -0.552 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H]2CCOC2)O1 ZINC001130184483 813916156 /nfs/dbraw/zinc/91/61/56/813916156.db2.gz SDTGWGJMBBYJPH-JHJVBQTASA-N 2 1 285.388 -0.552 20 0 CBADMP CC[C@H](C(=O)NCC[NH2+]Cc1cnn(CC)n1)[NH+](C)C ZINC001130197885 813916309 /nfs/dbraw/zinc/91/63/09/813916309.db2.gz PZMURLOMVDTASP-GFCCVEGCSA-N 2 1 282.392 -0.156 20 0 CBADMP CCOCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184384 813916859 /nfs/dbraw/zinc/91/68/59/813916859.db2.gz ODLGXQFRXQYXGD-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184384 813916863 /nfs/dbraw/zinc/91/68/63/813916863.db2.gz ODLGXQFRXQYXGD-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130297269 813923720 /nfs/dbraw/zinc/92/37/20/813923720.db2.gz JVWBTYBXDBVXLJ-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001130425383 813937984 /nfs/dbraw/zinc/93/79/84/813937984.db2.gz WXAQPCCUXNUILZ-SNVBAGLBSA-N 2 1 297.407 -0.293 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001130425383 813937993 /nfs/dbraw/zinc/93/79/93/813937993.db2.gz WXAQPCCUXNUILZ-SNVBAGLBSA-N 2 1 297.407 -0.293 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130419013 813938626 /nfs/dbraw/zinc/93/86/26/813938626.db2.gz HNMQIYBPKXAMGZ-UHFFFAOYSA-N 2 1 272.393 -0.441 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001130419267 813938734 /nfs/dbraw/zinc/93/87/34/813938734.db2.gz RWPQADMXARXJEL-UHFFFAOYSA-N 2 1 293.433 -0.533 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001130419267 813938740 /nfs/dbraw/zinc/93/87/40/813938740.db2.gz RWPQADMXARXJEL-UHFFFAOYSA-N 2 1 293.433 -0.533 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001130711083 813968477 /nfs/dbraw/zinc/96/84/77/813968477.db2.gz MXXXWCLTZSUZSB-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP COC[C@H](C)[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131387333 814027030 /nfs/dbraw/zinc/02/70/30/814027030.db2.gz LPAWPLNTPVVRQP-JTQLQIEISA-N 2 1 254.334 -0.068 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001131384537 814027377 /nfs/dbraw/zinc/02/73/77/814027377.db2.gz CTXZUCUXEOUYLR-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP CO[C@H](C)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380685 814027674 /nfs/dbraw/zinc/02/76/74/814027674.db2.gz WMNDSYFPVODLFH-LLVKDONJSA-N 2 1 254.334 -0.068 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001131387411 814028249 /nfs/dbraw/zinc/02/82/49/814028249.db2.gz ODZYHLMQVOUODH-NSHDSACASA-N 2 1 279.344 -0.872 20 0 CBADMP O=C(Cn1c[nH+]c2c1CCCC2)NCC[NH2+]CCCO ZINC001131424433 814031460 /nfs/dbraw/zinc/03/14/60/814031460.db2.gz SJTSPXUODJZKBW-UHFFFAOYSA-N 2 1 280.372 -0.150 20 0 CBADMP C[C@H](O)C[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131424353 814032153 /nfs/dbraw/zinc/03/21/53/814032153.db2.gz OFURHZHRAPFIGM-NSHDSACASA-N 2 1 280.372 -0.152 20 0 CBADMP COCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520285 814038532 /nfs/dbraw/zinc/03/85/32/814038532.db2.gz WWUOTHCOCZMKTM-LXVYMNJGSA-N 2 1 283.372 -0.798 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001132736472 814182442 /nfs/dbraw/zinc/18/24/42/814182442.db2.gz APVVHWSXLVNKGS-NSHDSACASA-N 2 1 270.377 -0.701 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]CCO)C1 ZINC001132738522 814182646 /nfs/dbraw/zinc/18/26/46/814182646.db2.gz GYMOEABAOBXFIM-GFCCVEGCSA-N 2 1 257.378 -0.194 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001132738347 814182854 /nfs/dbraw/zinc/18/28/54/814182854.db2.gz ZOXFZUDLZSIWGA-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132882806 814197233 /nfs/dbraw/zinc/19/72/33/814197233.db2.gz JEDHUWXJGPFTOI-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)CC[N@H+]1C ZINC001132886154 814197453 /nfs/dbraw/zinc/19/74/53/814197453.db2.gz DJVRPMPPJHAXBH-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2ncnn2C)CC[N@@H+]1C ZINC001132886129 814197730 /nfs/dbraw/zinc/19/77/30/814197730.db2.gz CWUNLQAKHLZYCG-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2ncnn2C)CC[N@H+]1C ZINC001132886129 814197737 /nfs/dbraw/zinc/19/77/37/814197737.db2.gz CWUNLQAKHLZYCG-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)CC[N@H+]1C ZINC001132886884 814197788 /nfs/dbraw/zinc/19/77/88/814197788.db2.gz VPSHGONJYZWUPM-RYUDHWBXSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001133000637 814205832 /nfs/dbraw/zinc/20/58/32/814205832.db2.gz GAJKJAVQDDCQSV-LLVKDONJSA-N 2 1 293.371 -0.794 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[NH2+]CCO)CC2 ZINC001133000839 814207176 /nfs/dbraw/zinc/20/71/76/814207176.db2.gz LQPVCPJWAIKTOB-NSHDSACASA-N 2 1 266.345 -0.548 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)nn1 ZINC001133282011 814235069 /nfs/dbraw/zinc/23/50/69/814235069.db2.gz WZSSBEBHPQBKRR-UHFFFAOYSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)c1nncn1C ZINC001133287283 814235526 /nfs/dbraw/zinc/23/55/26/814235526.db2.gz FSBCXKLJRBJRRQ-JTQLQIEISA-N 2 1 268.365 -0.466 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)n1 ZINC001133285924 814236308 /nfs/dbraw/zinc/23/63/08/814236308.db2.gz OOJSDSRENYQTMJ-UHFFFAOYSA-N 2 1 280.376 -0.637 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)c1nnnn1C ZINC001133287291 814236533 /nfs/dbraw/zinc/23/65/33/814236533.db2.gz FYJRVWYYSHJJJD-JTQLQIEISA-N 2 1 295.391 -0.681 20 0 CBADMP C[NH+](C)CCC(=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001133297665 814239655 /nfs/dbraw/zinc/23/96/55/814239655.db2.gz PFGZSGSSQHCQEV-UHFFFAOYSA-N 2 1 280.376 -0.160 20 0 CBADMP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001133819921 814299026 /nfs/dbraw/zinc/29/90/26/814299026.db2.gz RQGVOOQDZDSOMD-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001133819921 814299031 /nfs/dbraw/zinc/29/90/31/814299031.db2.gz RQGVOOQDZDSOMD-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001133820033 814299453 /nfs/dbraw/zinc/29/94/53/814299453.db2.gz WBLRYJDXTRTTJR-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)c1nnnn1C ZINC001133819420 814299515 /nfs/dbraw/zinc/29/95/15/814299515.db2.gz BNQDGILIIYYCIA-MNOVXSKESA-N 2 1 295.391 -0.539 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)c1nnnn1C ZINC001133819420 814299518 /nfs/dbraw/zinc/29/95/18/814299518.db2.gz BNQDGILIIYYCIA-MNOVXSKESA-N 2 1 295.391 -0.539 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001133819843 814300035 /nfs/dbraw/zinc/30/00/35/814300035.db2.gz PNOVMVJZKFEFFI-GHMZBOCLSA-N 2 1 268.361 -0.935 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133819777 814300462 /nfs/dbraw/zinc/30/04/62/814300462.db2.gz NWZLNIGMTFRROG-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133819779 814300936 /nfs/dbraw/zinc/30/09/36/814300936.db2.gz NWZLNIGMTFRROG-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001133820151 814301738 /nfs/dbraw/zinc/30/17/38/814301738.db2.gz ZXJLJMKQMLMVSX-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133824001 814301820 /nfs/dbraw/zinc/30/18/20/814301820.db2.gz VPJFKRZUZMOUCZ-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001133820149 814303687 /nfs/dbraw/zinc/30/36/87/814303687.db2.gz ZXJLJMKQMLMVSX-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133846155 814307937 /nfs/dbraw/zinc/30/79/37/814307937.db2.gz VBYAPRJMSRRICS-NSHDSACASA-N 2 1 270.377 -0.830 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1nncn1C ZINC001133845849 814309573 /nfs/dbraw/zinc/30/95/73/814309573.db2.gz ORPPPYCHLDCHTI-VXGBXAGGSA-N 2 1 294.403 -0.076 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1nncn1C ZINC001133845849 814309582 /nfs/dbraw/zinc/30/95/82/814309582.db2.gz ORPPPYCHLDCHTI-VXGBXAGGSA-N 2 1 294.403 -0.076 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCn1cccn1 ZINC001133862841 814310355 /nfs/dbraw/zinc/31/03/55/814310355.db2.gz GUTDAQBSZSWGJA-CHWSQXEVSA-N 2 1 279.388 -0.213 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863327 814312325 /nfs/dbraw/zinc/31/23/25/814312325.db2.gz LDGIAOSRDHZXLG-STQMWFEESA-N 2 1 298.431 -0.338 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[NH2+]CCO)C2 ZINC001133865255 814312989 /nfs/dbraw/zinc/31/29/89/814312989.db2.gz BJQKYHQEVKYITD-NSHDSACASA-N 2 1 266.345 -0.548 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001133867398 814313082 /nfs/dbraw/zinc/31/30/82/814313082.db2.gz UAIWJPSFDXSCFM-DGCLKSJQSA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001133867040 814313519 /nfs/dbraw/zinc/31/35/19/814313519.db2.gz QSDXUCMAVPVUTJ-YPMHNXCESA-N 2 1 279.388 -0.176 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cncn1C ZINC001133866725 814314890 /nfs/dbraw/zinc/31/48/90/814314890.db2.gz OFTIURDAXPZSOI-DGCLKSJQSA-N 2 1 279.388 -0.176 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C2 ZINC001133865293 814315073 /nfs/dbraw/zinc/31/50/73/814315073.db2.gz CAUQIEFHLUYABG-MWLCHTKSSA-N 2 1 293.371 -0.666 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cncn1C ZINC001133866727 814316051 /nfs/dbraw/zinc/31/60/51/814316051.db2.gz OFTIURDAXPZSOI-YPMHNXCESA-N 2 1 279.388 -0.176 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)nn1 ZINC001133864267 814316141 /nfs/dbraw/zinc/31/61/41/814316141.db2.gz YEYPFGIWSQUKRL-AAEUAGOBSA-N 2 1 294.403 -0.299 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)nn1 ZINC001133864267 814316149 /nfs/dbraw/zinc/31/61/49/814316149.db2.gz YEYPFGIWSQUKRL-AAEUAGOBSA-N 2 1 294.403 -0.299 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869726 814316650 /nfs/dbraw/zinc/31/66/50/814316650.db2.gz KCMCXCFHBNYWOQ-QWHCGFSZSA-N 2 1 298.431 -0.242 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133869735 814317944 /nfs/dbraw/zinc/31/79/44/814317944.db2.gz KEXOPWFDJKLNRY-YPMHNXCESA-N 2 1 294.403 -0.299 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001133871235 814318060 /nfs/dbraw/zinc/31/80/60/814318060.db2.gz ZEMXMBCKULGBIA-WCQYABFASA-N 2 1 279.388 -0.176 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001133871235 814318070 /nfs/dbraw/zinc/31/80/70/814318070.db2.gz ZEMXMBCKULGBIA-WCQYABFASA-N 2 1 279.388 -0.176 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869727 814318574 /nfs/dbraw/zinc/31/85/74/814318574.db2.gz KCMCXCFHBNYWOQ-STQMWFEESA-N 2 1 298.431 -0.242 20 0 CBADMP CN1CC[C@H]([NH2+]CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1=O ZINC001133896450 814319173 /nfs/dbraw/zinc/31/91/73/814319173.db2.gz JNGQYTYWUSIVJN-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133899460 814320267 /nfs/dbraw/zinc/32/02/67/814320267.db2.gz HRNLGNNXZGJLQC-UHFFFAOYSA-N 2 1 286.420 -0.194 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133906243 814321993 /nfs/dbraw/zinc/32/19/93/814321993.db2.gz RTNZLALQPASTPA-LBPRGKRZSA-N 2 1 289.420 -0.323 20 0 CBADMP CN1CC[C@H]([NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1=O ZINC001133908444 814322640 /nfs/dbraw/zinc/32/26/40/814322640.db2.gz RIRRZGOGNSJMFM-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCO ZINC001134767052 814411584 /nfs/dbraw/zinc/41/15/84/814411584.db2.gz QQNONXOLVJBCGC-GFCCVEGCSA-N 2 1 257.378 -0.053 20 0 CBADMP O=C(NCC[NH2+]CCOCCO)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135095678 814437719 /nfs/dbraw/zinc/43/77/19/814437719.db2.gz NRFAORRSGDXSRJ-KGLIPLIRSA-N 2 1 299.415 -0.282 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135092649 814438422 /nfs/dbraw/zinc/43/84/22/814438422.db2.gz AIDKBLTYCISVNF-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21)C(N)=O ZINC001159914510 815605009 /nfs/dbraw/zinc/60/50/09/815605009.db2.gz CYEIRFWDCWQFIS-MNOVXSKESA-N 2 1 293.371 -0.270 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21)C(N)=O ZINC001159914511 815605090 /nfs/dbraw/zinc/60/50/90/815605090.db2.gz CYEIRFWDCWQFIS-QWRGUYRKSA-N 2 1 293.371 -0.270 20 0 CBADMP CC(C)OCC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135340714 814464891 /nfs/dbraw/zinc/46/48/91/814464891.db2.gz HBNUJMSDYPSRQC-UHFFFAOYSA-N 2 1 287.404 -0.161 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]C[C@@H]1CCOC1 ZINC001135340832 814465224 /nfs/dbraw/zinc/46/52/24/814465224.db2.gz KGJOPOKSNPDGHT-ZDUSSCGKSA-N 2 1 285.388 -0.549 20 0 CBADMP COC[C@@H](C)[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135341379 814465449 /nfs/dbraw/zinc/46/54/49/814465449.db2.gz UIHUOQXLJUDIJU-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP CC[C@@H](C[NH2+]CCNC(=O)CC[NH+]1CCOCC1)OC ZINC001135352561 814468748 /nfs/dbraw/zinc/46/87/48/814468748.db2.gz HSICGNOZFYUNMQ-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001135352907 814468973 /nfs/dbraw/zinc/46/89/73/814468973.db2.gz ZCXFWCVLLOFCCU-AWEZNQCLSA-N 2 1 299.415 -0.016 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001159997597 815607663 /nfs/dbraw/zinc/60/76/63/815607663.db2.gz SYXOEBSQVDTNKG-JTQLQIEISA-N 2 1 270.377 -0.560 20 0 CBADMP [NH3+]C1(C(=O)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)CC1 ZINC001160155534 815610805 /nfs/dbraw/zinc/61/08/05/815610805.db2.gz IMFPSCBGVXVRGO-TXEJJXNPSA-N 2 1 265.357 -0.201 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC001160274194 815613667 /nfs/dbraw/zinc/61/36/67/815613667.db2.gz QKVNYNUIBDXKCW-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001135861670 814533359 /nfs/dbraw/zinc/53/33/59/814533359.db2.gz VGSGFVQDDSWIDS-GHMZBOCLSA-N 2 1 272.393 -0.314 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001135981087 814542708 /nfs/dbraw/zinc/54/27/08/814542708.db2.gz XLMJHPAGVGNUDC-MNOVXSKESA-N 2 1 272.393 -0.314 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001135975735 814543099 /nfs/dbraw/zinc/54/30/99/814543099.db2.gz BNZQDOZMPZJZEG-NWDGAFQWSA-N 2 1 286.420 -0.053 20 0 CBADMP CN(C)CC(=O)N[C@@H]1CCCN(Cc2cnc(N)nc2)C1 ZINC001138169897 814601472 /nfs/dbraw/zinc/60/14/72/814601472.db2.gz ZSISDNSDQWDLQF-GFCCVEGCSA-N 2 1 292.387 -0.299 20 0 CBADMP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC001140115726 814631916 /nfs/dbraw/zinc/63/19/16/814631916.db2.gz CPVUFMCTEWECAC-JHJVBQTASA-N 2 1 267.373 -0.252 20 0 CBADMP CC[N@H+]1CC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC001140115726 814631925 /nfs/dbraw/zinc/63/19/25/814631925.db2.gz CPVUFMCTEWECAC-JHJVBQTASA-N 2 1 267.373 -0.252 20 0 CBADMP CC[NH+]1CC[C@@H]1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001140115726 814631930 /nfs/dbraw/zinc/63/19/30/814631930.db2.gz CPVUFMCTEWECAC-JHJVBQTASA-N 2 1 267.373 -0.252 20 0 CBADMP CC[NH+]1CC[C@@H]1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001140115726 814631937 /nfs/dbraw/zinc/63/19/37/814631937.db2.gz CPVUFMCTEWECAC-JHJVBQTASA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH2+]CCC(=O)N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001159634274 815582797 /nfs/dbraw/zinc/58/27/97/815582797.db2.gz AJWMUZHJJXWGIT-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CN1CC[NH+](CCC(=O)N2CC[N@H+]3CC[C@H]3C2)CC1 ZINC001143230528 814764735 /nfs/dbraw/zinc/76/47/35/814764735.db2.gz BCNBMFFWTVNUAP-ZDUSSCGKSA-N 2 1 266.389 -0.460 20 0 CBADMP C[NH+]1CCN(CCC(=O)N2CC[N@@H+]3CC[C@H]3C2)CC1 ZINC001143230528 814764738 /nfs/dbraw/zinc/76/47/38/814764738.db2.gz BCNBMFFWTVNUAP-ZDUSSCGKSA-N 2 1 266.389 -0.460 20 0 CBADMP C[NH+]1CCN(CCC(=O)N2CC[N@H+]3CC[C@H]3C2)CC1 ZINC001143230528 814764741 /nfs/dbraw/zinc/76/47/41/814764741.db2.gz BCNBMFFWTVNUAP-ZDUSSCGKSA-N 2 1 266.389 -0.460 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001146333035 814837606 /nfs/dbraw/zinc/83/76/06/814837606.db2.gz LVYQFDSGOSFLAD-NXEZZACHSA-N 2 1 281.360 -0.450 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001146595285 814841524 /nfs/dbraw/zinc/84/15/24/814841524.db2.gz YFEWQFUSQVUCRO-WDEREUQCSA-N 2 1 272.393 -0.315 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001146711143 814843884 /nfs/dbraw/zinc/84/38/84/814843884.db2.gz PISQHVDZINEDKO-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCn1cccn1 ZINC001146704716 814844010 /nfs/dbraw/zinc/84/40/10/814844010.db2.gz HKTXSRXRBHLBKR-UHFFFAOYSA-N 2 1 267.377 -0.069 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001146736777 814845475 /nfs/dbraw/zinc/84/54/75/814845475.db2.gz NKSWHQLAPOJCEB-UHFFFAOYSA-N 2 1 298.387 -0.817 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)CC[N@H+](C)CC)n1 ZINC001146718857 814845664 /nfs/dbraw/zinc/84/56/64/814845664.db2.gz ILHGBCZSOHZBDK-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)CC[N@@H+](C)CC)n1 ZINC001146718857 814845666 /nfs/dbraw/zinc/84/56/66/814845666.db2.gz ILHGBCZSOHZBDK-UHFFFAOYSA-N 2 1 282.392 -0.154 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001146719942 814845854 /nfs/dbraw/zinc/84/58/54/814845854.db2.gz XPGOIHLNRMAGJL-UHFFFAOYSA-N 2 1 272.393 -0.441 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nnnn1C(C)C ZINC001146718436 814846076 /nfs/dbraw/zinc/84/60/76/814846076.db2.gz BCSVEQOBSUAOEL-UHFFFAOYSA-N 2 1 297.407 -0.198 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nnnn1C(C)C ZINC001146718436 814846081 /nfs/dbraw/zinc/84/60/81/814846081.db2.gz BCSVEQOBSUAOEL-UHFFFAOYSA-N 2 1 297.407 -0.198 20 0 CBADMP CN(C(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001147876970 814920928 /nfs/dbraw/zinc/92/09/28/814920928.db2.gz ATENGUVQCPFBKT-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001147877637 814921966 /nfs/dbraw/zinc/92/19/66/814921966.db2.gz NDRKEJYUWBWVHS-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP Cn1nncc1C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878137 814922092 /nfs/dbraw/zinc/92/20/92/814922092.db2.gz TYFDRJYMQPAIHZ-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)c1ncccn1 ZINC001147892560 814923728 /nfs/dbraw/zinc/92/37/28/814923728.db2.gz JYJUGIDYNGXRIC-GFCCVEGCSA-N 2 1 295.387 -0.178 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)nn1 ZINC001147886373 814924036 /nfs/dbraw/zinc/92/40/36/814924036.db2.gz VLJSZQGYTQFYOM-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001147886373 814924040 /nfs/dbraw/zinc/92/40/40/814924040.db2.gz VLJSZQGYTQFYOM-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncnc2c1C[NH2+]C2 ZINC001159750753 815593323 /nfs/dbraw/zinc/59/33/23/815593323.db2.gz QRPZSWJNSBWGSX-MWLCHTKSSA-N 2 1 277.328 -0.357 20 0 CBADMP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001159922916 815603961 /nfs/dbraw/zinc/60/39/61/815603961.db2.gz BALHLIISRFGQBF-JTQLQIEISA-N 2 1 279.344 -0.658 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]ccn21)C(N)=O ZINC001159914512 815604408 /nfs/dbraw/zinc/60/44/08/815604408.db2.gz CYEIRFWDCWQFIS-WDEREUQCSA-N 2 1 293.371 -0.270 20 0 CBADMP C[NH2+]CC1CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001160459972 815625028 /nfs/dbraw/zinc/62/50/28/815625028.db2.gz USTZFGGAENARQA-AWEZNQCLSA-N 2 1 297.447 -0.805 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160490345 815628077 /nfs/dbraw/zinc/62/80/77/815628077.db2.gz NBMLFQVDDHRIOB-CQSZACIVSA-N 2 1 292.383 -0.522 20 0 CBADMP CC(C)(C)N1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160577558 815640269 /nfs/dbraw/zinc/64/02/69/815640269.db2.gz MRJOWPXPHPXCSF-GFCCVEGCSA-N 2 1 280.416 -0.262 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3O)CC2)c1 ZINC001160603707 815643948 /nfs/dbraw/zinc/64/39/48/815643948.db2.gz ZXVDGUACOUNMPH-STQMWFEESA-N 2 1 290.367 -0.381 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)[C@H]3C[NH2+]CCN3)CC2)c1 ZINC001160603288 815644070 /nfs/dbraw/zinc/64/40/70/815644070.db2.gz UYGCHQZXKIDHHP-CYBMUJFWSA-N 2 1 289.383 -0.400 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCN(CCF)CC1 ZINC001160629449 815644884 /nfs/dbraw/zinc/64/48/84/815644884.db2.gz PKTPVJNOJNLIIS-UHFFFAOYSA-N 2 1 272.368 -0.558 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160647469 815651716 /nfs/dbraw/zinc/65/17/16/815651716.db2.gz KNCFCMWGRNUKBS-IVZWLZJFSA-N 2 1 255.297 -0.823 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160687827 815657361 /nfs/dbraw/zinc/65/73/61/815657361.db2.gz JFWBEUAHRBOTFD-AWEZNQCLSA-N 3 1 297.447 -0.709 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(C)C[C@H]1CCC[NH2+]C1 ZINC001160696295 815658516 /nfs/dbraw/zinc/65/85/16/815658516.db2.gz ULUSOVXQPCGBET-QWRGUYRKSA-N 2 1 271.361 -0.275 20 0 CBADMP CN(C[C@@H]1CCC[NH2+]C1)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160696065 815658914 /nfs/dbraw/zinc/65/89/14/815658914.db2.gz UBTTWYQZZVBWCZ-GFCCVEGCSA-N 3 1 268.405 -0.214 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)C3(N)CC[NH2+]CC3)C[C@H]2C1 ZINC001160705184 815661888 /nfs/dbraw/zinc/66/18/88/815661888.db2.gz UMARGIZRCOOASW-PHIMTYICSA-N 2 1 252.362 -0.913 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(n2cnnc2)CC1 ZINC001160722354 815663211 /nfs/dbraw/zinc/66/32/11/815663211.db2.gz OVRJZUYAAKLFBD-JTQLQIEISA-N 2 1 252.322 -0.882 20 0 CBADMP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726611 815664657 /nfs/dbraw/zinc/66/46/57/815664657.db2.gz RCAWSRXJFXIZDW-BBATYDOGSA-N 2 1 273.402 -0.611 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC001160754320 815667173 /nfs/dbraw/zinc/66/71/73/815667173.db2.gz IGINQQYOOPNTFX-KBPBESRZSA-N 2 1 293.367 -0.031 20 0 CBADMP C[NH2+]CCC(=O)N1CCN(c2[nH+]cccc2N)CC1 ZINC001160826202 815674335 /nfs/dbraw/zinc/67/43/35/815674335.db2.gz VGLCWJPOLSICLD-UHFFFAOYSA-N 2 1 263.345 -0.078 20 0 CBADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001160825726 815674548 /nfs/dbraw/zinc/67/45/48/815674548.db2.gz JMIYYDRQAFFYBF-RYUDHWBXSA-N 2 1 291.355 -0.965 20 0 CBADMP Nc1ccc[nH+]c1N1CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001160826175 815674686 /nfs/dbraw/zinc/67/46/86/815674686.db2.gz UMLOROZXIVSQAG-JTQLQIEISA-N 2 1 279.344 -0.978 20 0 CBADMP COc1cccnc1N1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001160846436 815677766 /nfs/dbraw/zinc/67/77/66/815677766.db2.gz HTIMKPJVRZDWQF-NSHDSACASA-N 2 1 293.371 -0.585 20 0 CBADMP C[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160851053 815680630 /nfs/dbraw/zinc/68/06/30/815680630.db2.gz OEYKCNLKBYEYLK-QJPTWQEYSA-N 2 1 273.377 -0.818 20 0 CBADMP C[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160851053 815680635 /nfs/dbraw/zinc/68/06/35/815680635.db2.gz OEYKCNLKBYEYLK-QJPTWQEYSA-N 2 1 273.377 -0.818 20 0 CBADMP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160866318 815682338 /nfs/dbraw/zinc/68/23/38/815682338.db2.gz AOUJFUXOCIAPMU-NEPJUHHUSA-N 2 1 282.388 -0.416 20 0 CBADMP NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160866324 815682874 /nfs/dbraw/zinc/68/28/74/815682874.db2.gz AOUJFUXOCIAPMU-VXGBXAGGSA-N 2 1 282.388 -0.416 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC001160936438 815688917 /nfs/dbraw/zinc/68/89/17/815688917.db2.gz IUYVYBZDPYBULY-LBPRGKRZSA-N 2 1 291.355 -0.958 20 0 CBADMP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]([NH3+])Cc1c[nH]cn1)C2 ZINC001160965849 815690981 /nfs/dbraw/zinc/69/09/81/815690981.db2.gz ZCEYFSVDSIJTLY-MPKXVKKWSA-N 2 1 277.372 -0.310 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967163 815691910 /nfs/dbraw/zinc/69/19/10/815691910.db2.gz JROIZKLJSJMSBH-YUMQZZPRSA-N 2 1 279.287 -0.538 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC001161049628 815702800 /nfs/dbraw/zinc/70/28/00/815702800.db2.gz GTBUHJSCIYZROD-ZDUSSCGKSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC001161043021 815703781 /nfs/dbraw/zinc/70/37/81/815703781.db2.gz WNSUJQHGUBNBMR-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@]2(N)CC[NH2+]C2)C1 ZINC001161050056 815704014 /nfs/dbraw/zinc/70/40/14/815704014.db2.gz KIONQWBNVPHWEZ-WCQYABFASA-N 2 1 254.378 -0.382 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001161052429 815705327 /nfs/dbraw/zinc/70/53/27/815705327.db2.gz KKHBLKFSICACNW-CYBMUJFWSA-N 2 1 294.403 -0.142 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161050389 815705884 /nfs/dbraw/zinc/70/58/84/815705884.db2.gz MPPAZXNWTHQBDG-QWHCGFSZSA-N 2 1 296.415 -0.742 20 0 CBADMP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161060772 815705982 /nfs/dbraw/zinc/70/59/82/815705982.db2.gz CWZFKWWWWWWIPJ-KSFQGOMNSA-N 2 1 266.389 -0.064 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C[C@@H]21 ZINC001161081017 815709279 /nfs/dbraw/zinc/70/92/79/815709279.db2.gz CEFSPSSNKWBEOE-PFFFPCNUSA-N 2 1 278.400 -0.239 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C[C@H]21 ZINC001161081445 815709448 /nfs/dbraw/zinc/70/94/48/815709448.db2.gz KHXZYZJDSHXFKM-COMQUAJESA-N 2 1 278.400 -0.510 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@]3(N)CC[NH2+]C3)C[C@@H]21 ZINC001161080981 815709460 /nfs/dbraw/zinc/70/94/60/815709460.db2.gz AQCWLWTVBRHWDR-MDZLAQPJSA-N 2 1 252.362 -0.770 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C[C@H]21 ZINC001161081014 815709689 /nfs/dbraw/zinc/70/96/89/815709689.db2.gz CEFSPSSNKWBEOE-BGPZULBFSA-N 2 1 278.400 -0.239 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@@H]21 ZINC001161081089 815709911 /nfs/dbraw/zinc/70/99/11/815709911.db2.gz DOKHGLARICGYSR-WYUUTHIRSA-N 2 1 252.362 -0.772 20 0 CBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@@H]21 ZINC001161081089 815709913 /nfs/dbraw/zinc/70/99/13/815709913.db2.gz DOKHGLARICGYSR-WYUUTHIRSA-N 2 1 252.362 -0.772 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@@H]21 ZINC001161081089 815709916 /nfs/dbraw/zinc/70/99/16/815709916.db2.gz DOKHGLARICGYSR-WYUUTHIRSA-N 2 1 252.362 -0.772 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@]3(N)CC[NH2+]C3)C[C@H]21 ZINC001161080982 815710159 /nfs/dbraw/zinc/71/01/59/815710159.db2.gz AQCWLWTVBRHWDR-NQBHXWOUSA-N 2 1 252.362 -0.770 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)C[C@H]21 ZINC001161081635 815710342 /nfs/dbraw/zinc/71/03/42/815710342.db2.gz LDKYGKXGRXBHBC-MGPQQGTHSA-N 3 1 280.416 -0.134 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@H]21 ZINC001161082916 815710894 /nfs/dbraw/zinc/71/08/94/815710894.db2.gz QPUSVXYMHWUMBZ-GRYCIOLGSA-N 2 1 252.362 -0.900 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@@H]21 ZINC001161081879 815711284 /nfs/dbraw/zinc/71/12/84/815711284.db2.gz MHOPJWZWXQOMBP-KKOKHZNYSA-N 2 1 253.346 -0.738 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001161083236 815711310 /nfs/dbraw/zinc/71/13/10/815711310.db2.gz RRCGPFTVBOSQLV-GRYCIOLGSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001161083236 815711317 /nfs/dbraw/zinc/71/13/17/815711317.db2.gz RRCGPFTVBOSQLV-GRYCIOLGSA-N 2 1 283.372 -0.181 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C[C@@H]21 ZINC001161082410 815712076 /nfs/dbraw/zinc/71/20/76/815712076.db2.gz ORGMIPDSCRQSOY-TUAOUCFPSA-N 2 1 297.403 -0.685 20 0 CBADMP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@@H]2C1 ZINC001161175272 815724940 /nfs/dbraw/zinc/72/49/40/815724940.db2.gz KCTATCUEGIZCBE-SRVKXCTJSA-N 3 1 254.378 -0.537 20 0 CBADMP C[C@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)C[C@H](C)[NH2+]1 ZINC001161228234 815730140 /nfs/dbraw/zinc/73/01/40/815730140.db2.gz WGIJENFUSXJOSF-ATZCPNFKSA-N 2 1 251.334 -0.512 20 0 CBADMP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C[C@H](C)[NH2+]1 ZINC001161228235 815730208 /nfs/dbraw/zinc/73/02/08/815730208.db2.gz WGIJENFUSXJOSF-QXEWZRGKSA-N 2 1 251.334 -0.512 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC[C@@H](n2ccnn2)C1 ZINC001161235751 815731735 /nfs/dbraw/zinc/73/17/35/815731735.db2.gz YBPFCTPNOBHBSH-CYBMUJFWSA-N 2 1 292.387 -0.217 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001161251326 815733417 /nfs/dbraw/zinc/73/34/17/815733417.db2.gz OMDIZUOFSHRDGC-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP CCN(C(=O)[C@H]([NH3+])Cc1c[nH]cn1)[C@H]1CCC[NH2+]C1 ZINC001161329187 815741826 /nfs/dbraw/zinc/74/18/26/815741826.db2.gz WHCTXJHKBMLQBN-NWDGAFQWSA-N 2 1 265.361 -0.120 20 0 CBADMP CC(C)N(C(=O)[C@H]([NH3+])Cc1c[nH]cn1)[C@H]1CC[NH2+]C1 ZINC001161350662 815745711 /nfs/dbraw/zinc/74/57/11/815745711.db2.gz AUCHTDFVHAQJMH-NWDGAFQWSA-N 2 1 265.361 -0.122 20 0 CBADMP COC(=O)[C@]1(C)COCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001161373760 815747250 /nfs/dbraw/zinc/74/72/50/815747250.db2.gz RTJLRDDKNAYUFC-AWEZNQCLSA-N 2 1 299.371 -0.882 20 0 CBADMP Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)C1 ZINC001161386526 815748694 /nfs/dbraw/zinc/74/86/94/815748694.db2.gz JXDNNZOWEFPMKT-AGIUHOORSA-N 2 1 290.367 -0.084 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412043 815751008 /nfs/dbraw/zinc/75/10/08/815751008.db2.gz FKLXWOSKLZKZHL-JTLRNRKASA-N 2 1 263.345 -0.525 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412042 815752150 /nfs/dbraw/zinc/75/21/50/815752150.db2.gz FKLXWOSKLZKZHL-IXLVHKGHSA-N 2 1 263.345 -0.525 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161414668 815753331 /nfs/dbraw/zinc/75/33/31/815753331.db2.gz YJTDMUKZASKOGS-ZDCRXTMVSA-N 2 1 269.345 -0.537 20 0 CBADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161421684 815754255 /nfs/dbraw/zinc/75/42/55/815754255.db2.gz UBUJIGYXBRTDEF-OLZOCXBDSA-N 3 1 268.405 -0.038 20 0 CBADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCN2CC[C@@H]2C1 ZINC001161421684 815754262 /nfs/dbraw/zinc/75/42/62/815754262.db2.gz UBUJIGYXBRTDEF-OLZOCXBDSA-N 2 1 268.405 -0.038 20 0 CBADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161424132 815754401 /nfs/dbraw/zinc/75/44/01/815754401.db2.gz ZHECVDQAIBQYDK-AVGNSLFASA-N 2 1 296.415 -0.219 20 0 CBADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161421307 815754606 /nfs/dbraw/zinc/75/46/06/815754606.db2.gz QMCQETWDHPCAOV-NEPJUHHUSA-N 3 1 254.378 -0.380 20 0 CBADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN2CC[C@@H]2C1 ZINC001161421307 815754608 /nfs/dbraw/zinc/75/46/08/815754608.db2.gz QMCQETWDHPCAOV-NEPJUHHUSA-N 2 1 254.378 -0.380 20 0 CBADMP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423770 815754719 /nfs/dbraw/zinc/75/47/19/815754719.db2.gz MTTBRWPHXOUQSD-RYUDHWBXSA-N 3 1 254.378 -0.251 20 0 CBADMP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCN2CC[C@H]2C1 ZINC001161423770 815754721 /nfs/dbraw/zinc/75/47/21/815754721.db2.gz MTTBRWPHXOUQSD-RYUDHWBXSA-N 2 1 254.378 -0.251 20 0 CBADMP O=C(N1CC[N@H+]2CC[C@@H]2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161421223 815754811 /nfs/dbraw/zinc/75/48/11/815754811.db2.gz OZDPCQKNLNGUAF-YRGRVCCFSA-N 3 1 264.373 -0.898 20 0 CBADMP O=C(N1CCN2CC[C@@H]2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161421223 815754814 /nfs/dbraw/zinc/75/48/14/815754814.db2.gz OZDPCQKNLNGUAF-YRGRVCCFSA-N 2 1 264.373 -0.898 20 0 CBADMP C[NH+](C)CCN(C(=O)C[C@@H]1COCCN1)[C@H]1CCC[NH2+]C1 ZINC001161448462 815756182 /nfs/dbraw/zinc/75/61/82/815756182.db2.gz CIBGVKQOSUYEDH-KGLIPLIRSA-N 2 1 298.431 -0.493 20 0 CBADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC2(CN(C)C2)C1 ZINC001161531463 815768389 /nfs/dbraw/zinc/76/83/89/815768389.db2.gz FOOPRVNVEQXQIW-NSHDSACASA-N 2 1 254.378 -0.523 20 0 CBADMP NC(=O)C1(Nc2cc[nH+]c(N3CCC([NH3+])CC3)n2)CC1 ZINC001162543413 815833325 /nfs/dbraw/zinc/83/33/25/815833325.db2.gz JESMZKIXLXEAMR-UHFFFAOYSA-N 2 1 276.344 -0.166 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001162612028 815836737 /nfs/dbraw/zinc/83/67/37/815836737.db2.gz ZVOUFGSRPBEMKC-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP C[NH+]1CCN(c2ncc(-n3nccc3C[NH3+])cn2)CC1 ZINC001162593302 815836965 /nfs/dbraw/zinc/83/69/65/815836965.db2.gz GMYDRVATMATRIA-UHFFFAOYSA-N 2 1 273.344 -0.127 20 0 CBADMP COCC[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162606830 815837370 /nfs/dbraw/zinc/83/73/70/815837370.db2.gz XURGUSAUCKDXMV-UHFFFAOYSA-N 2 1 254.334 -0.066 20 0 CBADMP O=C(NCCC[NH2+]CCF)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872000 815847401 /nfs/dbraw/zinc/84/74/01/815847401.db2.gz CNPHQNOTCIQEII-MBHSVXNSSA-N 2 1 285.363 -0.085 20 0 CBADMP c1cc(N2CCOCC2)nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]1 ZINC001163191245 815863636 /nfs/dbraw/zinc/86/36/36/815863636.db2.gz JFKQPCZZBPWUHS-BXUZGUMPSA-N 2 1 291.355 -0.144 20 0 CBADMP Cc1[nH+]ccn1-c1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)ncn1 ZINC001163234933 815866713 /nfs/dbraw/zinc/86/67/13/815866713.db2.gz CLLAZJNAYYOSNC-IINYFYTJSA-N 2 1 299.338 -0.039 20 0 CBADMP COC(=O)c1c[nH+]ccc1N[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163253356 815874507 /nfs/dbraw/zinc/87/45/07/815874507.db2.gz LEVSITVAXBSUAV-GXFFZTMASA-N 2 1 276.296 -0.720 20 0 CBADMP CN(CC[NH3+])c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001163690425 815896721 /nfs/dbraw/zinc/89/67/21/815896721.db2.gz NJXFCHMFHUPISD-UHFFFAOYSA-N 2 1 250.350 -0.377 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC001303189121 816761925 /nfs/dbraw/zinc/76/19/25/816761925.db2.gz ITDPBRJXBCYGJX-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001303189121 816761929 /nfs/dbraw/zinc/76/19/29/816761929.db2.gz ITDPBRJXBCYGJX-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001303189121 816761932 /nfs/dbraw/zinc/76/19/32/816761932.db2.gz ITDPBRJXBCYGJX-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC(N)=O ZINC001316895292 816899998 /nfs/dbraw/zinc/89/99/98/816899998.db2.gz NCHXIGLRSRUHFQ-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)CC(N)=O ZINC001316895292 816900007 /nfs/dbraw/zinc/90/00/07/816900007.db2.gz NCHXIGLRSRUHFQ-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)CC(N)=O ZINC001316895292 816900013 /nfs/dbraw/zinc/90/00/13/816900013.db2.gz NCHXIGLRSRUHFQ-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001316990403 816916403 /nfs/dbraw/zinc/91/64/03/816916403.db2.gz GWDYLRDIPZQTQK-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001316990403 816916406 /nfs/dbraw/zinc/91/64/06/816916406.db2.gz GWDYLRDIPZQTQK-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001316990405 816916632 /nfs/dbraw/zinc/91/66/32/816916632.db2.gz GWDYLRDIPZQTQK-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001316990405 816916638 /nfs/dbraw/zinc/91/66/38/816916638.db2.gz GWDYLRDIPZQTQK-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]C[C@H](C)O ZINC001317291355 816960013 /nfs/dbraw/zinc/96/00/13/816960013.db2.gz SZNBKOADILUTCK-UWVGGRQHSA-N 2 1 254.334 -0.333 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317450798 816982835 /nfs/dbraw/zinc/98/28/35/816982835.db2.gz IMDXKGUETYEZTB-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317450798 816982838 /nfs/dbraw/zinc/98/28/38/816982838.db2.gz IMDXKGUETYEZTB-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001317450798 816982845 /nfs/dbraw/zinc/98/28/45/816982845.db2.gz IMDXKGUETYEZTB-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001317468279 816989674 /nfs/dbraw/zinc/98/96/74/816989674.db2.gz UWHUZWHPNDXIOE-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001317468279 816989678 /nfs/dbraw/zinc/98/96/78/816989678.db2.gz UWHUZWHPNDXIOE-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001317468279 816989682 /nfs/dbraw/zinc/98/96/82/816989682.db2.gz UWHUZWHPNDXIOE-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001317468279 816989685 /nfs/dbraw/zinc/98/96/85/816989685.db2.gz UWHUZWHPNDXIOE-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CCOCC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001318510495 817116625 /nfs/dbraw/zinc/11/66/25/817116625.db2.gz AOZYADGRZSHISV-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001318510495 817116629 /nfs/dbraw/zinc/11/66/29/817116629.db2.gz AOZYADGRZSHISV-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]CCCO ZINC001319285343 817186544 /nfs/dbraw/zinc/18/65/44/817186544.db2.gz ZELCHOBVVNTJFM-NEPJUHHUSA-N 2 1 257.378 -0.338 20 0 CBADMP C[C@H](C[NH2+]CCCO)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001319548433 817216883 /nfs/dbraw/zinc/21/68/83/817216883.db2.gz FGCHGRQMLSCAMN-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@@H](C[NH2+]CCCO)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001319548435 817217654 /nfs/dbraw/zinc/21/76/54/817217654.db2.gz FGCHGRQMLSCAMN-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001320238711 817301046 /nfs/dbraw/zinc/30/10/46/817301046.db2.gz RQCRBDDRSNWOJU-RYUDHWBXSA-N 2 1 257.378 -0.054 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCC2)C1 ZINC001320311569 817319505 /nfs/dbraw/zinc/31/95/05/817319505.db2.gz FCWKBMTWJGPLMW-OLZOCXBDSA-N 2 1 269.389 -0.195 20 0 CBADMP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001320839990 817401140 /nfs/dbraw/zinc/40/11/40/817401140.db2.gz HEFDIMAIQATGJA-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CN1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001320999913 817425235 /nfs/dbraw/zinc/42/52/35/817425235.db2.gz WAWPHQPNJLREKR-GFSGRHGLSA-N 2 1 294.399 -0.427 20 0 CBADMP COCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001320998068 817425990 /nfs/dbraw/zinc/42/59/90/817425990.db2.gz MRMJIJANQIIPID-MVZIDQBPSA-N 2 1 255.362 -0.011 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001191029517 823869264 /nfs/dbraw/zinc/86/92/64/823869264.db2.gz JYCYZHBRZSKICO-LLVKDONJSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001191029517 823869272 /nfs/dbraw/zinc/86/92/72/823869272.db2.gz JYCYZHBRZSKICO-LLVKDONJSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001191029517 823869275 /nfs/dbraw/zinc/86/92/75/823869275.db2.gz JYCYZHBRZSKICO-LLVKDONJSA-N 2 1 284.404 -0.265 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CCN(C=O)CC2)C1 ZINC001321282019 817473013 /nfs/dbraw/zinc/47/30/13/817473013.db2.gz HMCZYXLLWQYRMA-ZDUSSCGKSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001321334688 817484363 /nfs/dbraw/zinc/48/43/63/817484363.db2.gz CJQGUWANEGQZOQ-OEFFGFFESA-N 2 1 296.415 -0.275 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001191029517 823869257 /nfs/dbraw/zinc/86/92/57/823869257.db2.gz JYCYZHBRZSKICO-LLVKDONJSA-N 2 1 284.404 -0.265 20 0 CBADMP [NH3+][C@@H]1CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CCC1(F)F ZINC001238984680 825580148 /nfs/dbraw/zinc/58/01/48/825580148.db2.gz SDCLHOAAWABLBR-HTQZYQBOSA-N 2 1 269.317 -0.654 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001253405179 825913493 /nfs/dbraw/zinc/91/34/93/825913493.db2.gz RLMXSYILAHOSLF-MNOVXSKESA-N 2 1 278.418 -0.240 20 0 CBADMP CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268320668 827297700 /nfs/dbraw/zinc/29/77/00/827297700.db2.gz PVDSMQHPTSWEHW-SRVKXCTJSA-N 2 1 257.378 -0.197 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCO)CC1 ZINC001163822047 819854461 /nfs/dbraw/zinc/85/44/61/819854461.db2.gz RGLRTJRCRPGRPH-LBPRGKRZSA-N 2 1 269.389 -0.051 20 0 CBADMP CN(c1ccc2[nH+]c(N)[nH]c2c1)S(=O)(=O)CC[NH3+] ZINC001164296998 819904299 /nfs/dbraw/zinc/90/42/99/819904299.db2.gz GDBMLUHWYYHJBB-UHFFFAOYSA-N 2 1 269.330 -0.130 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC)C1 ZINC001164449296 819913405 /nfs/dbraw/zinc/91/34/05/819913405.db2.gz HDJDEVKJXKZYMP-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001164449276 819913891 /nfs/dbraw/zinc/91/38/91/819913891.db2.gz GRERAWLABSVKTQ-GFCCVEGCSA-N 2 1 284.404 -0.310 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001164577832 819931474 /nfs/dbraw/zinc/93/14/74/819931474.db2.gz UOHCGOQMLJXCAC-XQQFMLRXSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001164577831 819932226 /nfs/dbraw/zinc/93/22/26/819932226.db2.gz UOHCGOQMLJXCAC-AVGNSLFASA-N 2 1 298.431 -0.053 20 0 CBADMP NC(=O)[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)CC[NH2+]1 ZINC001165071213 819935122 /nfs/dbraw/zinc/93/51/22/819935122.db2.gz FRHMBWATFJYUBJ-ZDUSSCGKSA-N 2 1 289.383 -0.059 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCC[NH2+]CC(N)=O)CC2 ZINC001165270153 819946719 /nfs/dbraw/zinc/94/67/19/819946719.db2.gz CXUWCXPXXIEOCB-NSHDSACASA-N 2 1 293.371 -0.665 20 0 CBADMP O=C1COc2cc[nH+]c(N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)c2N1 ZINC001165283531 819947510 /nfs/dbraw/zinc/94/75/10/819947510.db2.gz YRETYZLKXGHODU-OTYXRUKQSA-N 2 1 290.323 -0.569 20 0 CBADMP C[N@@H+](CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1)C1CCC1 ZINC001165492655 819968980 /nfs/dbraw/zinc/96/89/80/819968980.db2.gz YBPOMGFUVNIYPK-UHFFFAOYSA-N 2 1 296.415 -0.168 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166695069 820015681 /nfs/dbraw/zinc/01/56/81/820015681.db2.gz ZSTVLLVDXNGHQL-VXGBXAGGSA-N 2 1 257.378 -0.074 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001166626792 820008247 /nfs/dbraw/zinc/00/82/47/820008247.db2.gz JKFAODCJTBTIDD-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1nncn1C ZINC001166634544 820009647 /nfs/dbraw/zinc/00/96/47/820009647.db2.gz VMYSYVGXQXNRFT-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CCCO)C1 ZINC001166677787 820012611 /nfs/dbraw/zinc/01/26/11/820012611.db2.gz NDOQWJHWUCSFSY-GFCCVEGCSA-N 2 1 257.378 -0.194 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001166678158 820013069 /nfs/dbraw/zinc/01/30/69/820013069.db2.gz UDOKFRAZZVTMCW-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166667562 820013135 /nfs/dbraw/zinc/01/31/35/820013135.db2.gz DJOGMNDPKUDXNW-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001166668249 820013162 /nfs/dbraw/zinc/01/31/62/820013162.db2.gz WUYYAYAWYMBJOT-RYUDHWBXSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@H](O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166676641 820014355 /nfs/dbraw/zinc/01/43/55/820014355.db2.gz AGQGDUNJHJHZNT-NEPJUHHUSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@H](O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166676643 820015023 /nfs/dbraw/zinc/01/50/23/820015023.db2.gz AGQGDUNJHJHZNT-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001166678159 820017025 /nfs/dbraw/zinc/01/70/25/820017025.db2.gz UDOKFRAZZVTMCW-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166692820 820017236 /nfs/dbraw/zinc/01/72/36/820017236.db2.gz QEUHINLTEVVJSU-QWHCGFSZSA-N 2 1 298.431 -0.194 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001166708667 820018381 /nfs/dbraw/zinc/01/83/81/820018381.db2.gz VXGRULXDCHNNSC-AAEUAGOBSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nncn1C ZINC001166708104 820019814 /nfs/dbraw/zinc/01/98/14/820019814.db2.gz MCELQZBJRSAYND-VXGBXAGGSA-N 2 1 294.403 -0.391 20 0 CBADMP Cc1nc(N2CC[NH2+][C@H](C(N)=O)C2)cc(N(C)C)[nH+]1 ZINC001166723481 820020311 /nfs/dbraw/zinc/02/03/11/820020311.db2.gz FJTCDQAYQJURCF-VIFPVBQESA-N 2 1 264.333 -0.885 20 0 CBADMP NC(=O)[C@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)CC[NH2+]1 ZINC001166723398 820022103 /nfs/dbraw/zinc/02/21/03/820022103.db2.gz BVCRDEDOFHZCFD-SECBINFHSA-N 2 1 296.762 -0.961 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166765332 820034546 /nfs/dbraw/zinc/03/45/46/820034546.db2.gz XROSKGNNSCGFKJ-UHFFFAOYSA-N 2 1 298.431 -0.050 20 0 CBADMP [NH3+][C@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)C[C@H]1O ZINC001167092143 820070300 /nfs/dbraw/zinc/07/03/00/820070300.db2.gz LGTAAHFJQXYRBO-WDEREUQCSA-N 2 1 263.345 -0.025 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001167348448 820083522 /nfs/dbraw/zinc/08/35/22/820083522.db2.gz YZZHPSYCNCARGJ-UHFFFAOYSA-N 2 1 286.343 -0.990 20 0 CBADMP COc1c(C2C[NH2+]C2)ncnc1-n1cnc(C[NH3+])cc1=N ZINC001167358580 820084921 /nfs/dbraw/zinc/08/49/21/820084921.db2.gz VFAKOQUZMPGQNL-UHFFFAOYSA-N 2 1 287.327 -0.704 20 0 CBADMP C[NH+]1CCN(c2ncc(-n3ccc(C[NH3+])cc3=N)cn2)CC1 ZINC001167689430 820112094 /nfs/dbraw/zinc/11/20/94/820112094.db2.gz GUGHMWYHPJVLLT-UHFFFAOYSA-N 2 1 299.382 -0.043 20 0 CBADMP NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168029181 820138859 /nfs/dbraw/zinc/13/88/59/820138859.db2.gz DHXXYVQYPDDKFV-NWDGAFQWSA-N 2 1 282.388 -0.416 20 0 CBADMP OCC1(Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)COC1 ZINC001168172935 820145025 /nfs/dbraw/zinc/14/50/25/820145025.db2.gz BCHHFFHXMUUCNU-UHFFFAOYSA-N 2 1 265.317 -0.941 20 0 CBADMP OCC(CO)(CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168356152 820158763 /nfs/dbraw/zinc/15/87/63/820158763.db2.gz LYYPAQUOKHDNJU-UHFFFAOYSA-N 2 1 258.362 -0.834 20 0 CBADMP CN1C[C@@H](CNc2nc(N3CC[NH2+]CC3)cc[nH+]2)CC1=O ZINC001168717712 820169875 /nfs/dbraw/zinc/16/98/75/820169875.db2.gz KDCRCCDRTSPQST-LLVKDONJSA-N 2 1 290.371 -0.224 20 0 CBADMP [NH3+]Cc1ncn(-c2nc(Cl)nc3c2CC[NH2+]CC3)n1 ZINC001168749758 820174846 /nfs/dbraw/zinc/17/48/46/820174846.db2.gz GGGPTSNDRDJTNP-UHFFFAOYSA-N 2 1 279.735 -0.142 20 0 CBADMP [NH3+]Cc1ncn(-c2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)n1 ZINC001168755642 820176309 /nfs/dbraw/zinc/17/63/09/820176309.db2.gz BYAPSLOFKCNOQZ-SECBINFHSA-N 2 1 284.327 -0.154 20 0 CBADMP CCOC(=O)CNC(=O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169099992 820207484 /nfs/dbraw/zinc/20/74/84/820207484.db2.gz YSPACQAZQMWWQQ-CNDDSTCGSA-N 2 1 283.372 -0.120 20 0 CBADMP CCOC(=O)CNC(=O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099992 820207488 /nfs/dbraw/zinc/20/74/88/820207488.db2.gz YSPACQAZQMWWQQ-CNDDSTCGSA-N 2 1 283.372 -0.120 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108310 820208949 /nfs/dbraw/zinc/20/89/49/820208949.db2.gz QWSMMXQPBQRZTP-RTCCRHLQSA-N 2 1 269.345 -0.510 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108310 820208959 /nfs/dbraw/zinc/20/89/59/820208959.db2.gz QWSMMXQPBQRZTP-RTCCRHLQSA-N 2 1 269.345 -0.510 20 0 CBADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCN(CC[NH3+])CC2)CO1 ZINC001169320195 820229329 /nfs/dbraw/zinc/22/93/29/820229329.db2.gz JBMFONRWLRHLSB-CHWSQXEVSA-N 2 1 285.388 -0.327 20 0 CBADMP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169809977 820266851 /nfs/dbraw/zinc/26/68/51/820266851.db2.gz MVOGBFXMXIPQIM-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169809979 820266897 /nfs/dbraw/zinc/26/68/97/820266897.db2.gz MVOGBFXMXIPQIM-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169859120 820267463 /nfs/dbraw/zinc/26/74/63/820267463.db2.gz VKBWPNRDZNBVNE-KPPDAEKUSA-N 2 1 292.401 -0.320 20 0 CBADMP C[C@H](CCCC[NH2+]CCO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169991261 820272327 /nfs/dbraw/zinc/27/23/27/820272327.db2.gz MLMQPPMHBYFIAZ-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@H](CCCC[NH2+]CCO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169991261 820272338 /nfs/dbraw/zinc/27/23/38/820272338.db2.gz MLMQPPMHBYFIAZ-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001170212359 820280300 /nfs/dbraw/zinc/28/03/00/820280300.db2.gz VSDFLQPBTKWENO-UHFFFAOYSA-N 2 1 298.431 -0.050 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC ZINC001170210542 820281100 /nfs/dbraw/zinc/28/11/00/820281100.db2.gz CLYAPXPSOLTKRQ-UHFFFAOYSA-N 2 1 258.366 -0.830 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001170212459 820282055 /nfs/dbraw/zinc/28/20/55/820282055.db2.gz ZPKSPKXSIBFVDO-JTQLQIEISA-N 2 1 258.366 -0.702 20 0 CBADMP [NH3+]C1CCN(c2nc(N3C[C@H](O)C[C@@H]3CO)cc[nH+]2)CC1 ZINC001170283949 820284109 /nfs/dbraw/zinc/28/41/09/820284109.db2.gz VKGDNDNQVBCKOC-VXGBXAGGSA-N 2 1 293.371 -0.664 20 0 CBADMP CN(CC[NH3+])CCNc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001170501863 820296263 /nfs/dbraw/zinc/29/62/63/820296263.db2.gz GELPOETWQUAYDP-UHFFFAOYSA-N 2 1 293.419 -0.469 20 0 CBADMP CN(CC[NH3+])CCNc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001170498119 820296348 /nfs/dbraw/zinc/29/63/48/820296348.db2.gz RTPMMYIVJALRPI-UHFFFAOYSA-N 2 1 293.419 -0.469 20 0 CBADMP [NH3+]CCC[C@@H]([NH3+])Nc1cccc(=NN2C(=O)CCC2=O)[nH]1 ZINC001170896193 820332572 /nfs/dbraw/zinc/33/25/72/820332572.db2.gz CDXOHUJTUMDXGY-VIFPVBQESA-N 2 1 292.343 -0.007 20 0 CBADMP C[C@H]1CN(c2ccc(N[C@@H](N)CCC[NH3+])nn2)CC[NH2+]1 ZINC001170897101 820332901 /nfs/dbraw/zinc/33/29/01/820332901.db2.gz DBTHOJBGXNNAFL-WDEREUQCSA-N 2 1 279.392 -0.290 20 0 CBADMP Cc1cnc(S(C)(=O)=O)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170898057 820333522 /nfs/dbraw/zinc/33/35/22/820333522.db2.gz KXYYFVMZKMYNAI-QMMMGPOBSA-N 2 1 273.362 -0.376 20 0 CBADMP N[C@@H](CCC[NH3+])Nc1nccc(N2CC[NH2+]CC2)n1 ZINC001170894501 820333887 /nfs/dbraw/zinc/33/38/87/820333887.db2.gz ISOOTVXFMVPMBC-SNVBAGLBSA-N 2 1 265.365 -0.678 20 0 CBADMP N[C@H](CCC[NH3+])Nc1cccnc1OC1C[NH2+]C1 ZINC001170903410 820334429 /nfs/dbraw/zinc/33/44/29/820334429.db2.gz JOAPPVPYTQRZKH-NSHDSACASA-N 2 1 251.334 -0.132 20 0 CBADMP CS(=O)(=O)c1nccc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170899219 820335853 /nfs/dbraw/zinc/33/58/53/820335853.db2.gz SRIVHIBBYJSJEX-ZETCQYMHSA-N 2 1 259.335 -0.684 20 0 CBADMP C[NH+]1CCN(c2cc(N[C@@H]([NH3+])CCC[NH3+])ncn2)CC1 ZINC001170898889 820336556 /nfs/dbraw/zinc/33/65/56/820336556.db2.gz RGILBAPLTFNXMX-LLVKDONJSA-N 3 1 279.392 -0.336 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CCn2cncn2)C1 ZINC001171225839 820350133 /nfs/dbraw/zinc/35/01/33/820350133.db2.gz AERDAPOKCWTAOM-ZDUSSCGKSA-N 2 1 294.403 -0.284 20 0 CBADMP CN1CC[C@@H]([NH2+]CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001171227055 820350586 /nfs/dbraw/zinc/35/05/86/820350586.db2.gz MERXTDKAHNRVCA-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001171216892 820352091 /nfs/dbraw/zinc/35/20/91/820352091.db2.gz KKZCBVDHBAJJCN-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001171217488 820352361 /nfs/dbraw/zinc/35/23/61/820352361.db2.gz NTPQYYAURWVYBB-VXGBXAGGSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001171228125 820352567 /nfs/dbraw/zinc/35/25/67/820352567.db2.gz SDDBKGCAAFYHAU-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC ZINC001171758295 820369618 /nfs/dbraw/zinc/36/96/18/820369618.db2.gz VPVFINDOUWHDMK-UHFFFAOYSA-N 2 1 258.366 -0.830 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC(C)C ZINC001171757330 820369854 /nfs/dbraw/zinc/36/98/54/820369854.db2.gz IXSUNMBYXOIRTI-UHFFFAOYSA-N 2 1 286.420 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001171762774 820370292 /nfs/dbraw/zinc/37/02/92/820370292.db2.gz KOORSFUPOXDPFC-UHFFFAOYSA-N 2 1 272.393 -0.488 20 0 CBADMP CCN1CC[C@H]([NH2+]CCC[N@@H+](C)CCO)CC1=O ZINC001172042261 820379647 /nfs/dbraw/zinc/37/96/47/820379647.db2.gz LOKJANKJAXEZFZ-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP COCCC[NH+]1CCC([NH2+][C@H](CO)[C@@H](C)O)CC1 ZINC001172242678 820391693 /nfs/dbraw/zinc/39/16/93/820391693.db2.gz GAOOEEHDPCISHQ-DGCLKSJQSA-N 2 1 260.378 -0.181 20 0 CBADMP COCCC[NH+]1CCC([NH2+][C@@H]2CNC(=O)C2)CC1 ZINC001172246502 820393173 /nfs/dbraw/zinc/39/31/73/820393173.db2.gz KRGLGBTYHXFKMP-LBPRGKRZSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[NH+](CC)C1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001173110678 820401308 /nfs/dbraw/zinc/40/13/08/820401308.db2.gz RDQYFOQBCDDHFH-IFOPZJACSA-N 2 1 296.463 -0.368 20 0 CBADMP Cn1nccc1C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072347 820437606 /nfs/dbraw/zinc/43/76/06/820437606.db2.gz QEBWRAJRKZLZGY-LBPRGKRZSA-N 2 1 279.388 -0.032 20 0 CBADMP CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176071517 820438053 /nfs/dbraw/zinc/43/80/53/820438053.db2.gz FNCKGIGUDUWNCS-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CCn1ncc(C[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001176071614 820438077 /nfs/dbraw/zinc/43/80/77/820438077.db2.gz GVVIGHDJVHGVGK-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP Cn1cc(C[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001176071601 820438194 /nfs/dbraw/zinc/43/81/94/820438194.db2.gz GQCFXCDKZPOYJW-ZDUSSCGKSA-N 2 1 279.388 -0.032 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072209 820438421 /nfs/dbraw/zinc/43/84/21/820438421.db2.gz MWELOCIFGSFKSM-NSHDSACASA-N 2 1 270.377 -0.830 20 0 CBADMP CCn1nncc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176072417 820438898 /nfs/dbraw/zinc/43/88/98/820438898.db2.gz SMFVRHXZQPXGEW-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176095475 820439946 /nfs/dbraw/zinc/43/99/46/820439946.db2.gz COKDKPHZMSZJMB-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001176096351 820440152 /nfs/dbraw/zinc/44/01/52/820440152.db2.gz RBPJQHFQOKIJIN-NEPJUHHUSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCF)C1 ZINC001176644638 820455360 /nfs/dbraw/zinc/45/53/60/820455360.db2.gz ZOVFJBOWNUIUEK-NSHDSACASA-N 2 1 261.341 -0.228 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCF)C1 ZINC001176644638 820455365 /nfs/dbraw/zinc/45/53/65/820455365.db2.gz ZOVFJBOWNUIUEK-NSHDSACASA-N 2 1 261.341 -0.228 20 0 CBADMP CC[C@H]([NH2+]CCCNC(=O)C[N@@H+](C)C(C)C)C(N)=O ZINC001176975062 820484724 /nfs/dbraw/zinc/48/47/24/820484724.db2.gz JRIBHRXEZFPTTO-NSHDSACASA-N 2 1 272.393 -0.314 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176971712 820485377 /nfs/dbraw/zinc/48/53/77/820485377.db2.gz GADVYTSDZOHMHX-UHFFFAOYSA-N 2 1 286.420 -0.053 20 0 CBADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001177182328 820496824 /nfs/dbraw/zinc/49/68/24/820496824.db2.gz ZEALUERAKGKTCP-VIFPVBQESA-N 2 1 278.360 -0.024 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001178360914 820578214 /nfs/dbraw/zinc/57/82/14/820578214.db2.gz SKGZEGCRJAJVQJ-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@@H+]1CCCC[C@@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001178690100 820596144 /nfs/dbraw/zinc/59/61/44/820596144.db2.gz LJRNSYJTMSPLIF-SECBINFHSA-N 2 1 263.363 -0.782 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001178690100 820596149 /nfs/dbraw/zinc/59/61/49/820596149.db2.gz LJRNSYJTMSPLIF-SECBINFHSA-N 2 1 263.363 -0.782 20 0 CBADMP C[C@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CC[NH+](C)C ZINC001179472672 820630291 /nfs/dbraw/zinc/63/02/91/820630291.db2.gz RNIKJLAUCRBAHR-RYUDHWBXSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001179720031 820638156 /nfs/dbraw/zinc/63/81/56/820638156.db2.gz UWZXTTLOOYMABI-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124381 820650116 /nfs/dbraw/zinc/65/01/16/820650116.db2.gz IKASLLFEXDBKJZ-XUXIUFHCSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCCO)[C@@H]2C)C1 ZINC001180182733 820653360 /nfs/dbraw/zinc/65/33/60/820653360.db2.gz MQFMWCQZQSYJSE-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCCO)[C@@H]2C)C1 ZINC001180182733 820653364 /nfs/dbraw/zinc/65/33/64/820653364.db2.gz MQFMWCQZQSYJSE-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCCCCCC[NH2+]CC(N)=O ZINC001180274602 820666016 /nfs/dbraw/zinc/66/60/16/820666016.db2.gz MJICPGJGFZIMKH-UHFFFAOYSA-N 2 1 295.387 -0.057 20 0 CBADMP CC[NH+](CC)CC(=O)N(CC[NH3+])S(C)(=O)=O ZINC001180388598 820675824 /nfs/dbraw/zinc/67/58/24/820675824.db2.gz VAHJOFVYFCVIQH-UHFFFAOYSA-N 2 1 251.352 -0.925 20 0 CBADMP COCCC1([NH3+])CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001180761715 820720102 /nfs/dbraw/zinc/72/01/02/820720102.db2.gz DRTFTMMLIFGLLY-GFCCVEGCSA-N 2 1 285.388 -0.327 20 0 CBADMP COCCC1([NH3+])CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001180761715 820720109 /nfs/dbraw/zinc/72/01/09/820720109.db2.gz DRTFTMMLIFGLLY-GFCCVEGCSA-N 2 1 285.388 -0.327 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)n2ccc(C[NH3+])cc2=N)C1 ZINC001180760693 820722399 /nfs/dbraw/zinc/72/23/99/820722399.db2.gz QVXUXOGCLZJHKY-SNVBAGLBSA-N 2 1 250.302 -0.603 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)n2ccc(C[NH3+])cc2=N)C1 ZINC001180760693 820722409 /nfs/dbraw/zinc/72/24/09/820722409.db2.gz QVXUXOGCLZJHKY-SNVBAGLBSA-N 2 1 250.302 -0.603 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181653333 820807433 /nfs/dbraw/zinc/80/74/33/820807433.db2.gz XXIGNSHLNHUDEG-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP COCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181821567 820832868 /nfs/dbraw/zinc/83/28/68/820832868.db2.gz CBMBVYOIFGOHEL-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181821567 820832882 /nfs/dbraw/zinc/83/28/82/820832882.db2.gz CBMBVYOIFGOHEL-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+]1CCC(O)(C(=O)N2CC[N@H+]3CC[C@@H]3C2)CC1 ZINC001182032690 820856516 /nfs/dbraw/zinc/85/65/16/820856516.db2.gz ILOFRSQLIVLQGU-LLVKDONJSA-N 2 1 253.346 -0.640 20 0 CBADMP C[N@@H+](C1CN(C(=O)C2(O)CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC001182033596 820856704 /nfs/dbraw/zinc/85/67/04/820856704.db2.gz KJXYIKVQIGWBFT-LBPRGKRZSA-N 2 1 297.399 -0.625 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)CC[N@H+]1C ZINC001182676186 820935125 /nfs/dbraw/zinc/93/51/25/820935125.db2.gz DOAPMZGHBSXMQU-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)CC[N@H+]1C ZINC001182683955 820936141 /nfs/dbraw/zinc/93/61/41/820936141.db2.gz HOUBCXNKQQVKRR-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001183648777 821012777 /nfs/dbraw/zinc/01/27/77/821012777.db2.gz ZCCDYFNPKKMPPX-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001183758993 821031675 /nfs/dbraw/zinc/03/16/75/821031675.db2.gz DIGHZXITJVLPFO-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001183759573 821032231 /nfs/dbraw/zinc/03/22/31/821032231.db2.gz MLXZSJNROOBNEF-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001185158704 821101379 /nfs/dbraw/zinc/10/13/79/821101379.db2.gz VDXDTRNKLDLZOE-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)NCC[C@@H]1CCC[NH+]1C ZINC001185262390 821117062 /nfs/dbraw/zinc/11/70/62/821117062.db2.gz NKWZUDFSSTWHCG-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)NCC[C@@H]1CCC[N@@H+]1C ZINC001185262390 821117065 /nfs/dbraw/zinc/11/70/65/821117065.db2.gz NKWZUDFSSTWHCG-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001185262390 821117068 /nfs/dbraw/zinc/11/70/68/821117068.db2.gz NKWZUDFSSTWHCG-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC001185262941 821117115 /nfs/dbraw/zinc/11/71/15/821117115.db2.gz RZQZEFAWBVCHAT-GFCCVEGCSA-N 2 1 270.421 -0.064 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001185264835 821117209 /nfs/dbraw/zinc/11/72/09/821117209.db2.gz ZUPMPMCDMJCICA-GFCCVEGCSA-N 2 1 265.361 -0.446 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[N@H+](C)CCN1C ZINC001185264835 821117211 /nfs/dbraw/zinc/11/72/11/821117211.db2.gz ZUPMPMCDMJCICA-GFCCVEGCSA-N 2 1 265.361 -0.446 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185650689 821135957 /nfs/dbraw/zinc/13/59/57/821135957.db2.gz LOODLDKBUVDPPC-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185651322 821136260 /nfs/dbraw/zinc/13/62/60/821136260.db2.gz XOCJKYZWBKSABE-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650083 821136657 /nfs/dbraw/zinc/13/66/57/821136657.db2.gz BXKXVMPBYKAJGS-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001185651348 821137422 /nfs/dbraw/zinc/13/74/22/821137422.db2.gz YPRWYAUEWYVBFZ-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001185659857 821138573 /nfs/dbraw/zinc/13/85/73/821138573.db2.gz QZJIIGRAVXAQQN-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185659668 821138926 /nfs/dbraw/zinc/13/89/26/821138926.db2.gz NZBTWDHAIWXYHO-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](O)C3)C[C@H]2C1 ZINC001186046010 821158980 /nfs/dbraw/zinc/15/89/80/821158980.db2.gz YBLGJKIBUZMSLF-TUAOUCFPSA-N 2 1 253.346 -0.927 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C[C@H]2C1 ZINC001186046010 821158982 /nfs/dbraw/zinc/15/89/82/821158982.db2.gz YBLGJKIBUZMSLF-TUAOUCFPSA-N 2 1 253.346 -0.927 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@H](O)C3)C[C@H]2C1 ZINC001186046010 821158984 /nfs/dbraw/zinc/15/89/84/821158984.db2.gz YBLGJKIBUZMSLF-TUAOUCFPSA-N 2 1 253.346 -0.927 20 0 CBADMP COCCC1([NH3+])CCN(C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC001186056566 821164759 /nfs/dbraw/zinc/16/47/59/821164759.db2.gz GHIQRIKJGCOQEN-LBPRGKRZSA-N 2 1 285.388 -0.591 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+]3CC[C@H]3C2)C1 ZINC001186107795 821168675 /nfs/dbraw/zinc/16/86/75/821168675.db2.gz SRGJMZYZIZZBLX-RYUDHWBXSA-N 2 1 281.356 -0.602 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+]3CC[C@H]3C2)C1 ZINC001186107795 821168680 /nfs/dbraw/zinc/16/86/80/821168680.db2.gz SRGJMZYZIZZBLX-RYUDHWBXSA-N 2 1 281.356 -0.602 20 0 CBADMP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[N@@H+]3CC[C@H]3C2)C1 ZINC001186107795 821168686 /nfs/dbraw/zinc/16/86/86/821168686.db2.gz SRGJMZYZIZZBLX-RYUDHWBXSA-N 2 1 281.356 -0.602 20 0 CBADMP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[N@H+]3CC[C@H]3C2)C1 ZINC001186107795 821168693 /nfs/dbraw/zinc/16/86/93/821168693.db2.gz SRGJMZYZIZZBLX-RYUDHWBXSA-N 2 1 281.356 -0.602 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001186362018 821179936 /nfs/dbraw/zinc/17/99/36/821179936.db2.gz BZSSLMHWALSYEI-GFCCVEGCSA-N 2 1 293.371 -0.352 20 0 CBADMP CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186356411 821180900 /nfs/dbraw/zinc/18/09/00/821180900.db2.gz VSTVENXISFBYNP-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001186808609 821198433 /nfs/dbraw/zinc/19/84/33/821198433.db2.gz PEISUICWVKVDGJ-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186824976 821198793 /nfs/dbraw/zinc/19/87/93/821198793.db2.gz SVIQHNLADCKCRH-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001186834088 821201202 /nfs/dbraw/zinc/20/12/02/821201202.db2.gz LGZRZPQSMNEQMK-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001186833175 821202030 /nfs/dbraw/zinc/20/20/30/821202030.db2.gz AIIARFTXFLBMNJ-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP COCC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@H+]1C ZINC001279746299 828337214 /nfs/dbraw/zinc/33/72/14/828337214.db2.gz KNOMOKOZIQBDFG-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+]C[C@@H]2CCOC2)C1 ZINC001279900972 828341638 /nfs/dbraw/zinc/34/16/38/828341638.db2.gz BAZBWZOREAGLSL-UONOGXRCSA-N 2 1 299.415 -0.615 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+]C[C@H]2CCOC2)C1 ZINC001279900974 828341773 /nfs/dbraw/zinc/34/17/73/828341773.db2.gz BAZBWZOREAGLSL-ZIAGYGMSSA-N 2 1 299.415 -0.615 20 0 CBADMP COCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001280665475 828371400 /nfs/dbraw/zinc/37/14/00/828371400.db2.gz CIUZQNFGOKXWNU-ZDUSSCGKSA-N 2 1 296.371 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](NCc2ncnn2C)C1 ZINC001187291170 822263745 /nfs/dbraw/zinc/26/37/45/822263745.db2.gz LIRNHZGQOWSIDN-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001187291170 822263749 /nfs/dbraw/zinc/26/37/49/822263749.db2.gz LIRNHZGQOWSIDN-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001187329319 822268995 /nfs/dbraw/zinc/26/89/95/822268995.db2.gz PLLXIDFRJZKVOV-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187818579 822297250 /nfs/dbraw/zinc/29/72/50/822297250.db2.gz REKSQWBOZLZAHS-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCOC)C2)C1 ZINC001187982162 822313862 /nfs/dbraw/zinc/31/38/62/822313862.db2.gz GNRRXFSSHQMTBI-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCOC)C2)C1 ZINC001187982162 822313876 /nfs/dbraw/zinc/31/38/76/822313876.db2.gz GNRRXFSSHQMTBI-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)[NH2+]CCO ZINC001282141511 828436308 /nfs/dbraw/zinc/43/63/08/828436308.db2.gz OKLXOUARIZVQEK-WDEREUQCSA-N 2 1 257.378 -0.054 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+](C)CCO ZINC001282477443 828449368 /nfs/dbraw/zinc/44/93/68/828449368.db2.gz JPEFHBZQHGEWQZ-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@H+](C)CCO ZINC001282477443 828449371 /nfs/dbraw/zinc/44/93/71/828449371.db2.gz JPEFHBZQHGEWQZ-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@@H+](C)CCO ZINC001282477443 828449373 /nfs/dbraw/zinc/44/93/73/828449373.db2.gz JPEFHBZQHGEWQZ-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCO)C1 ZINC001283052259 828492954 /nfs/dbraw/zinc/49/29/54/828492954.db2.gz NBRJWPXWYNSUIL-AVGNSLFASA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001283189573 828505647 /nfs/dbraw/zinc/50/56/47/828505647.db2.gz AHJUFJBTYOCVPW-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP CC(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283827944 828554262 /nfs/dbraw/zinc/55/42/62/828554262.db2.gz VRGWYHJNMHPHOD-NEPJUHHUSA-N 2 1 257.378 -0.339 20 0 CBADMP CC(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283827946 828554973 /nfs/dbraw/zinc/55/49/73/828554973.db2.gz VRGWYHJNMHPHOD-RYUDHWBXSA-N 2 1 257.378 -0.339 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026921 823729892 /nfs/dbraw/zinc/72/98/92/823729892.db2.gz VZSHQKHSBLBSLQ-SDDRHHMPSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026921 823729896 /nfs/dbraw/zinc/72/98/96/823729896.db2.gz VZSHQKHSBLBSLQ-SDDRHHMPSA-N 2 1 282.388 -0.655 20 0 CBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055181 823730874 /nfs/dbraw/zinc/73/08/74/823730874.db2.gz OJEVTDBBJGLFHS-MELADBBJSA-N 2 1 299.415 -0.522 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001189054636 823731479 /nfs/dbraw/zinc/73/14/79/823731479.db2.gz IRYAJOJEVLFWLS-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055166 823731771 /nfs/dbraw/zinc/73/17/71/823731771.db2.gz NXNIDOYBODVQBN-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189391455 823752665 /nfs/dbraw/zinc/75/26/65/823752665.db2.gz YQBKBABOGBPBGD-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189391455 823752670 /nfs/dbraw/zinc/75/26/70/823752670.db2.gz YQBKBABOGBPBGD-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189391455 823752672 /nfs/dbraw/zinc/75/26/72/823752672.db2.gz YQBKBABOGBPBGD-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189391455 823752676 /nfs/dbraw/zinc/75/26/76/823752676.db2.gz YQBKBABOGBPBGD-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001189485469 823760959 /nfs/dbraw/zinc/76/09/59/823760959.db2.gz ZAZKHIYHGODBSN-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP COCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189516573 823763715 /nfs/dbraw/zinc/76/37/15/823763715.db2.gz IOWXXJGUWKGNBH-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189516573 823763720 /nfs/dbraw/zinc/76/37/20/823763720.db2.gz IOWXXJGUWKGNBH-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189516573 823763724 /nfs/dbraw/zinc/76/37/24/823763724.db2.gz IOWXXJGUWKGNBH-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189516573 823763727 /nfs/dbraw/zinc/76/37/27/823763727.db2.gz IOWXXJGUWKGNBH-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP C[N@H+](CCCO)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517487 823763743 /nfs/dbraw/zinc/76/37/43/823763743.db2.gz SIZITOSMRASYPR-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517487 823763748 /nfs/dbraw/zinc/76/37/48/823763748.db2.gz SIZITOSMRASYPR-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCCO)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189517487 823763752 /nfs/dbraw/zinc/76/37/52/823763752.db2.gz SIZITOSMRASYPR-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCCO)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189517487 823763757 /nfs/dbraw/zinc/76/37/57/823763757.db2.gz SIZITOSMRASYPR-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191786246 823925109 /nfs/dbraw/zinc/92/51/09/823925109.db2.gz ZQZXWBUOFAPGEV-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191786246 823925116 /nfs/dbraw/zinc/92/51/16/823925116.db2.gz ZQZXWBUOFAPGEV-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001191786246 823925119 /nfs/dbraw/zinc/92/51/19/823925119.db2.gz ZQZXWBUOFAPGEV-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001191786246 823925128 /nfs/dbraw/zinc/92/51/28/823925128.db2.gz ZQZXWBUOFAPGEV-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001192161059 823952289 /nfs/dbraw/zinc/95/22/89/823952289.db2.gz GYFSIQUYONUJHM-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152031 823953228 /nfs/dbraw/zinc/95/32/28/823953228.db2.gz CTEWTYJWFAGSAG-LBPRGKRZSA-N 2 1 284.404 -0.441 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152031 823953230 /nfs/dbraw/zinc/95/32/30/823953230.db2.gz CTEWTYJWFAGSAG-LBPRGKRZSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170782 823956328 /nfs/dbraw/zinc/95/63/28/823956328.db2.gz QPUGSAXSNYMRRV-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001192947029 823992725 /nfs/dbraw/zinc/99/27/25/823992725.db2.gz GODDWPKCOJBLTH-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NC)C1 ZINC001192970862 823995014 /nfs/dbraw/zinc/99/50/14/823995014.db2.gz ZJTYFPULCYPAFD-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H]2CCNC2=O)C1 ZINC001193293244 824019297 /nfs/dbraw/zinc/01/92/97/824019297.db2.gz ZFFZGDOUZNCVLW-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001193293244 824019303 /nfs/dbraw/zinc/01/93/03/824019303.db2.gz ZFFZGDOUZNCVLW-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001193293244 824019309 /nfs/dbraw/zinc/01/93/09/824019309.db2.gz ZFFZGDOUZNCVLW-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC(=O)NC)C1 ZINC001193620759 824040919 /nfs/dbraw/zinc/04/09/19/824040919.db2.gz ADYBHOQLBSBOJJ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC(=O)NC)C1 ZINC001193620759 824040924 /nfs/dbraw/zinc/04/09/24/824040924.db2.gz ADYBHOQLBSBOJJ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC)C1 ZINC001193620759 824040927 /nfs/dbraw/zinc/04/09/27/824040927.db2.gz ADYBHOQLBSBOJJ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC)C1 ZINC001193620759 824040930 /nfs/dbraw/zinc/04/09/30/824040930.db2.gz ADYBHOQLBSBOJJ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193766174 824044885 /nfs/dbraw/zinc/04/48/85/824044885.db2.gz PASIFUMQWNYQAZ-IJLUTSLNSA-N 2 1 285.388 -0.987 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193766283 824045885 /nfs/dbraw/zinc/04/58/85/824045885.db2.gz RGLVKSGRXWGINH-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805335 824046414 /nfs/dbraw/zinc/04/64/14/824046414.db2.gz LOXFUBNHQDPVME-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193805335 824046420 /nfs/dbraw/zinc/04/64/20/824046420.db2.gz LOXFUBNHQDPVME-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193805335 824046427 /nfs/dbraw/zinc/04/64/27/824046427.db2.gz LOXFUBNHQDPVME-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193892085 824049154 /nfs/dbraw/zinc/04/91/54/824049154.db2.gz DFJNOJGFCBMJFT-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001193892085 824049157 /nfs/dbraw/zinc/04/91/57/824049157.db2.gz DFJNOJGFCBMJFT-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001193892085 824049160 /nfs/dbraw/zinc/04/91/60/824049160.db2.gz DFJNOJGFCBMJFT-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194002609 824055003 /nfs/dbraw/zinc/05/50/03/824055003.db2.gz VLBRPWMWLNSUFW-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002609 824055008 /nfs/dbraw/zinc/05/50/08/824055008.db2.gz VLBRPWMWLNSUFW-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002609 824055009 /nfs/dbraw/zinc/05/50/09/824055009.db2.gz VLBRPWMWLNSUFW-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002609 824055014 /nfs/dbraw/zinc/05/50/14/824055014.db2.gz VLBRPWMWLNSUFW-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194002609 824055017 /nfs/dbraw/zinc/05/50/17/824055017.db2.gz VLBRPWMWLNSUFW-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@@H+](CCCO)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194011071 824057202 /nfs/dbraw/zinc/05/72/02/824057202.db2.gz OAZSRXFEJOOZMW-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCCO)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194011071 824057208 /nfs/dbraw/zinc/05/72/08/824057208.db2.gz OAZSRXFEJOOZMW-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCCO)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194011071 824057217 /nfs/dbraw/zinc/05/72/17/824057217.db2.gz OAZSRXFEJOOZMW-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194036713 824057280 /nfs/dbraw/zinc/05/72/80/824057280.db2.gz COOGCNBJCYJSAO-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCCO)C2)C1 ZINC001194153295 824061732 /nfs/dbraw/zinc/06/17/32/824061732.db2.gz CGUFGUREJBYJOT-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCCO)C2)C1 ZINC001194153295 824061736 /nfs/dbraw/zinc/06/17/36/824061736.db2.gz CGUFGUREJBYJOT-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCCO)C2)C1 ZINC001194153295 824061739 /nfs/dbraw/zinc/06/17/39/824061739.db2.gz CGUFGUREJBYJOT-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCO)C2)C1 ZINC001194153295 824061743 /nfs/dbraw/zinc/06/17/43/824061743.db2.gz CGUFGUREJBYJOT-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)CCOC)C2)C1 ZINC001194153526 824061927 /nfs/dbraw/zinc/06/19/27/824061927.db2.gz FPVRLGMWGWFSKU-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)CCOC)C2)C1 ZINC001194153526 824061931 /nfs/dbraw/zinc/06/19/31/824061931.db2.gz FPVRLGMWGWFSKU-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCOC)C2)C1 ZINC001194153526 824061936 /nfs/dbraw/zinc/06/19/36/824061936.db2.gz FPVRLGMWGWFSKU-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCOC)C2)C1 ZINC001194153526 824061941 /nfs/dbraw/zinc/06/19/41/824061941.db2.gz FPVRLGMWGWFSKU-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CCOC)C2)C1 ZINC001194153524 824062069 /nfs/dbraw/zinc/06/20/69/824062069.db2.gz FPVRLGMWGWFSKU-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CCOC)C2)C1 ZINC001194153524 824062072 /nfs/dbraw/zinc/06/20/72/824062072.db2.gz FPVRLGMWGWFSKU-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@H+](C)CCOC)C2)C1 ZINC001194153524 824062079 /nfs/dbraw/zinc/06/20/79/824062079.db2.gz FPVRLGMWGWFSKU-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCOC)C2)C1 ZINC001194153524 824062084 /nfs/dbraw/zinc/06/20/84/824062084.db2.gz FPVRLGMWGWFSKU-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC(=O)N(C)C)C1 ZINC001194284837 824068417 /nfs/dbraw/zinc/06/84/17/824068417.db2.gz OQMQTLPYLJFSBO-CYBMUJFWSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC(=O)N(C)C)C1 ZINC001194284837 824068418 /nfs/dbraw/zinc/06/84/18/824068418.db2.gz OQMQTLPYLJFSBO-CYBMUJFWSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)N(C)C)C1 ZINC001194284837 824068425 /nfs/dbraw/zinc/06/84/25/824068425.db2.gz OQMQTLPYLJFSBO-CYBMUJFWSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N(C)C)C1 ZINC001194284837 824068426 /nfs/dbraw/zinc/06/84/26/824068426.db2.gz OQMQTLPYLJFSBO-CYBMUJFWSA-N 2 1 298.431 -0.053 20 0 CBADMP CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661109 824127599 /nfs/dbraw/zinc/12/75/99/824127599.db2.gz HMLCEBUWGMWWGW-YNEHKIRRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)OC ZINC001195859045 824133716 /nfs/dbraw/zinc/13/37/16/824133716.db2.gz COYHRSFTUSQZRA-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001195859048 824134432 /nfs/dbraw/zinc/13/44/32/824134432.db2.gz CRJZWEHRGOIQAW-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860423 824135585 /nfs/dbraw/zinc/13/55/85/824135585.db2.gz XUZNFKQZQAEAMD-IJLUTSLNSA-N 2 1 275.368 -0.153 20 0 CBADMP CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860423 824135589 /nfs/dbraw/zinc/13/55/89/824135589.db2.gz XUZNFKQZQAEAMD-IJLUTSLNSA-N 2 1 275.368 -0.153 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001195870031 824135885 /nfs/dbraw/zinc/13/58/85/824135885.db2.gz HJHBZWIIPHSXFX-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001195860315 824135916 /nfs/dbraw/zinc/13/59/16/824135916.db2.gz VJFPIXXYJGCHRA-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O)[NH+](C)C ZINC001196268577 824156237 /nfs/dbraw/zinc/15/62/37/824156237.db2.gz WGGRWNGNLUKYRV-FRRDWIJNSA-N 2 1 269.389 -0.102 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197050171 824176822 /nfs/dbraw/zinc/17/68/22/824176822.db2.gz ZKMXQEBAVMRLFD-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001197043663 824177190 /nfs/dbraw/zinc/17/71/90/824177190.db2.gz KWMFLJBRRQEEBU-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001197043663 824177197 /nfs/dbraw/zinc/17/71/97/824177197.db2.gz KWMFLJBRRQEEBU-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001197043664 824177486 /nfs/dbraw/zinc/17/74/86/824177486.db2.gz KWMFLJBRRQEEBU-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001197043664 824177492 /nfs/dbraw/zinc/17/74/92/824177492.db2.gz KWMFLJBRRQEEBU-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001197050139 824177518 /nfs/dbraw/zinc/17/75/18/824177518.db2.gz YGAFIUOEPOHAEG-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319706 824187636 /nfs/dbraw/zinc/18/76/36/824187636.db2.gz PZEGICLJFICTMY-CHWSQXEVSA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493502 824194473 /nfs/dbraw/zinc/19/44/73/824194473.db2.gz QCCNTYYYYLETPQ-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493502 824194476 /nfs/dbraw/zinc/19/44/76/824194476.db2.gz QCCNTYYYYLETPQ-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493502 824194480 /nfs/dbraw/zinc/19/44/80/824194480.db2.gz QCCNTYYYYLETPQ-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCC)C[C@H]1O ZINC001198046880 824216753 /nfs/dbraw/zinc/21/67/53/824216753.db2.gz IANLZOJVVQCECA-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCC)C[C@H]1O ZINC001198046880 824216760 /nfs/dbraw/zinc/21/67/60/824216760.db2.gz IANLZOJVVQCECA-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCC)C[C@H]1O ZINC001198046880 824216768 /nfs/dbraw/zinc/21/67/68/824216768.db2.gz IANLZOJVVQCECA-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCCN([C@H]2CCNC2=O)CC1 ZINC001197705653 824198619 /nfs/dbraw/zinc/19/86/19/824198619.db2.gz CADNWXXAVXLFSK-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC[NH+]([C@H]2CCNC2=O)CC1 ZINC001197705653 824198623 /nfs/dbraw/zinc/19/86/23/824198623.db2.gz CADNWXXAVXLFSK-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@H]2CCNC2=O)CC1 ZINC001197705653 824198626 /nfs/dbraw/zinc/19/86/26/824198626.db2.gz CADNWXXAVXLFSK-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001197705653 824198629 /nfs/dbraw/zinc/19/86/29/824198629.db2.gz CADNWXXAVXLFSK-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001197705653 824198632 /nfs/dbraw/zinc/19/86/32/824198632.db2.gz CADNWXXAVXLFSK-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001197784323 824201312 /nfs/dbraw/zinc/20/13/12/824201312.db2.gz VJEYJZZKWAFLRG-CHWSQXEVSA-N 2 1 285.388 -0.864 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197792183 824201868 /nfs/dbraw/zinc/20/18/68/824201868.db2.gz MEDIFWKQYCBFDC-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832504 824205102 /nfs/dbraw/zinc/20/51/02/824205102.db2.gz LKIGLRFKZIGTNA-UHFFFAOYSA-N 2 1 287.404 -0.255 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCCN([C@@H](C)C(N)=O)CC1 ZINC001197914558 824208168 /nfs/dbraw/zinc/20/81/68/824208168.db2.gz WJNUGOUHLRNIJK-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001198020370 824213388 /nfs/dbraw/zinc/21/33/88/824213388.db2.gz LINZMLABTYDELA-VXGBXAGGSA-N 2 1 275.368 -0.151 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001198020370 824213392 /nfs/dbraw/zinc/21/33/92/824213392.db2.gz LINZMLABTYDELA-VXGBXAGGSA-N 2 1 275.368 -0.151 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001198020370 824213395 /nfs/dbraw/zinc/21/33/95/824213395.db2.gz LINZMLABTYDELA-VXGBXAGGSA-N 2 1 275.368 -0.151 20 0 CBADMP C[C@@H](O)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001284854944 828624236 /nfs/dbraw/zinc/62/42/36/828624236.db2.gz SEELEAKNNVWCJZ-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](O)C[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001284854945 828624956 /nfs/dbraw/zinc/62/49/56/828624956.db2.gz SEELEAKNNVWCJZ-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672702 824236350 /nfs/dbraw/zinc/23/63/50/824236350.db2.gz QJEFARRXBBHWQT-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672702 824236357 /nfs/dbraw/zinc/23/63/57/824236357.db2.gz QJEFARRXBBHWQT-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023338 824246765 /nfs/dbraw/zinc/24/67/65/824246765.db2.gz FSJOJYAYIBUNMF-BFHYXJOUSA-N 2 1 299.415 -0.596 20 0 CBADMP CN(C)c1cc[nH+]cc1C(=O)n1cc(C[NH3+])cnc1=N ZINC001199355412 824265605 /nfs/dbraw/zinc/26/56/05/824265605.db2.gz HZOCBVFFRRYYKS-UHFFFAOYSA-N 2 1 272.312 -0.029 20 0 CBADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001199414751 824267409 /nfs/dbraw/zinc/26/74/09/824267409.db2.gz FYSWOTIWCNGNTN-CHWSQXEVSA-N 2 1 296.371 -0.531 20 0 CBADMP CC(C)OCCN1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001199414751 824267418 /nfs/dbraw/zinc/26/74/18/824267418.db2.gz FYSWOTIWCNGNTN-CHWSQXEVSA-N 2 1 296.371 -0.531 20 0 CBADMP CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199787532 824287948 /nfs/dbraw/zinc/28/79/48/824287948.db2.gz ARUMDCXQACXJCS-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCCO)CC2)C1 ZINC001199944140 824296405 /nfs/dbraw/zinc/29/64/05/824296405.db2.gz WGZAOWYZTWGKFY-CYBMUJFWSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCCO)CC2)C1 ZINC001199944140 824296411 /nfs/dbraw/zinc/29/64/11/824296411.db2.gz WGZAOWYZTWGKFY-CYBMUJFWSA-N 2 1 285.388 -0.720 20 0 CBADMP CO[C@H](C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199942939 824296758 /nfs/dbraw/zinc/29/67/58/824296758.db2.gz BNHSTNZBFKGGON-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@H](C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199942939 824296763 /nfs/dbraw/zinc/29/67/63/824296763.db2.gz BNHSTNZBFKGGON-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200637584 824323371 /nfs/dbraw/zinc/32/33/71/824323371.db2.gz ZFYJAKZBDOMLFD-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001201402087 824331885 /nfs/dbraw/zinc/33/18/85/824331885.db2.gz ANIXLXYIRZGBBM-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201404317 824331963 /nfs/dbraw/zinc/33/19/63/824331963.db2.gz UMIXQRVCDSAKLD-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](C)CCCN1CC[NH+](C[C@H]2CCC(=O)N2)CC1 ZINC001202878362 824353661 /nfs/dbraw/zinc/35/36/61/824353661.db2.gz NUZLPBMKXNITKU-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC001203203136 824360223 /nfs/dbraw/zinc/36/02/23/824360223.db2.gz HCMAQBLEPAXJLR-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203699698 824362796 /nfs/dbraw/zinc/36/27/96/824362796.db2.gz PYBSZLJFLXFZRO-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205221404 824376701 /nfs/dbraw/zinc/37/67/01/824376701.db2.gz ULHNZLQLAPFAIU-ZDUSSCGKSA-N 2 1 282.344 -0.128 20 0 CBADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](CC[C@@H]2C[NH2+]CCO2)C1 ZINC001205665820 824380964 /nfs/dbraw/zinc/38/09/64/824380964.db2.gz VXVWEYCXTYNTLN-OLZOCXBDSA-N 3 1 257.378 -0.459 20 0 CBADMP NC[C@@]1(O)CCCC[N@H+](CC[C@@H]2C[NH2+]CCO2)C1 ZINC001205665820 824380970 /nfs/dbraw/zinc/38/09/70/824380970.db2.gz VXVWEYCXTYNTLN-OLZOCXBDSA-N 2 1 257.378 -0.459 20 0 CBADMP NC[C@@]1(O)CCCC[N@@H+](CC[C@@H]2C[NH2+]CCO2)C1 ZINC001205665820 824380977 /nfs/dbraw/zinc/38/09/77/824380977.db2.gz VXVWEYCXTYNTLN-OLZOCXBDSA-N 2 1 257.378 -0.459 20 0 CBADMP [NH3+]C[C@]1(O)CCCCN(Cc2cn3c(n2)C[NH2+]CC3)C1 ZINC001205671337 824381039 /nfs/dbraw/zinc/38/10/39/824381039.db2.gz AFDNYXQALNPOCD-CQSZACIVSA-N 2 1 279.388 -0.338 20 0 CBADMP CS(=O)(=O)N1CCC(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001205947032 824390034 /nfs/dbraw/zinc/39/00/34/824390034.db2.gz VFVXTUDIXFPDQQ-VXGBXAGGSA-N 2 1 291.417 -0.948 20 0 CBADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001205952905 824390159 /nfs/dbraw/zinc/39/01/59/824390159.db2.gz GEVMWFDSQWSQQS-VXGBXAGGSA-N 2 1 274.328 -0.239 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001205952905 824390164 /nfs/dbraw/zinc/39/01/64/824390164.db2.gz GEVMWFDSQWSQQS-VXGBXAGGSA-N 2 1 274.328 -0.239 20 0 CBADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1CN1CC[C@@H](O)[C@H]([NH3+])C1 ZINC001206082104 824391800 /nfs/dbraw/zinc/39/18/00/824391800.db2.gz SVISCHTWQSYWDG-LMLFDSFASA-N 2 1 263.332 -0.129 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206281079 824396111 /nfs/dbraw/zinc/39/61/11/824396111.db2.gz AFRLOGKZNGZZCO-DGCLKSJQSA-N 2 1 296.415 -0.502 20 0 CBADMP Cn1nnc2cc(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)ccc21 ZINC001206474451 824401001 /nfs/dbraw/zinc/40/10/01/824401001.db2.gz BNSWNIWTCJVFIY-GXFFZTMASA-N 2 1 261.329 -0.280 20 0 CBADMP Cn1nnc2cc(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)ccc21 ZINC001206474451 824401004 /nfs/dbraw/zinc/40/10/04/824401004.db2.gz BNSWNIWTCJVFIY-GXFFZTMASA-N 2 1 261.329 -0.280 20 0 CBADMP C[C@@H]1CNCC(F)(F)[C@H]1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206511808 824401628 /nfs/dbraw/zinc/40/16/28/824401628.db2.gz CCNQUQABKPVGPQ-RCWTZXSCSA-N 2 1 263.332 -0.271 20 0 CBADMP CC(=O)N1CCC[C@@H](C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001206512584 824402009 /nfs/dbraw/zinc/40/20/09/824402009.db2.gz PWVFTHPAVSFCHQ-AVGNSLFASA-N 2 1 255.362 -0.504 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CCC(C[NH2+]CCO)CC1 ZINC001206603954 824403414 /nfs/dbraw/zinc/40/34/14/824403414.db2.gz YBZKRJLPZLCBQT-UHFFFAOYSA-N 2 1 299.415 -0.471 20 0 CBADMP COCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001206739213 824406368 /nfs/dbraw/zinc/40/63/68/824406368.db2.gz AWHAQFOHTKFITJ-MCIONIFRSA-N 2 1 299.415 -0.210 20 0 CBADMP COCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001206739213 824406371 /nfs/dbraw/zinc/40/63/71/824406371.db2.gz AWHAQFOHTKFITJ-MCIONIFRSA-N 2 1 299.415 -0.210 20 0 CBADMP COCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001206739213 824406376 /nfs/dbraw/zinc/40/63/76/824406376.db2.gz AWHAQFOHTKFITJ-MCIONIFRSA-N 2 1 299.415 -0.210 20 0 CBADMP COCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001206739213 824406380 /nfs/dbraw/zinc/40/63/80/824406380.db2.gz AWHAQFOHTKFITJ-MCIONIFRSA-N 2 1 299.415 -0.210 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]CCO)CC2)C1 ZINC001206928995 824413199 /nfs/dbraw/zinc/41/31/99/824413199.db2.gz PWDQGSIDVUJFMQ-CYBMUJFWSA-N 2 1 269.389 -0.241 20 0 CBADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207437116 824428169 /nfs/dbraw/zinc/42/81/69/824428169.db2.gz OWSJXSZNMLMZHH-OAHLLOKOSA-N 2 1 294.399 -0.591 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543380 824429538 /nfs/dbraw/zinc/42/95/38/824429538.db2.gz MZYHKMIEUKBCDM-GRYCIOLGSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543380 824429543 /nfs/dbraw/zinc/42/95/43/824429543.db2.gz MZYHKMIEUKBCDM-GRYCIOLGSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C)[NH+](C)C ZINC001207698326 824435055 /nfs/dbraw/zinc/43/50/55/824435055.db2.gz YYQWCCGWAXACEL-IJLUTSLNSA-N 2 1 257.378 -0.245 20 0 CBADMP COCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207734062 824436267 /nfs/dbraw/zinc/43/62/67/824436267.db2.gz CHQNNUAATIQTFI-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207734062 824436269 /nfs/dbraw/zinc/43/62/69/824436269.db2.gz CHQNNUAATIQTFI-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+]1CCC(C)(C[N@H+]2CCO[C@@H](C(N)=O)C2)CC1 ZINC001208110153 824446524 /nfs/dbraw/zinc/44/65/24/824446524.db2.gz WRIZTPWYDZHMNF-LLVKDONJSA-N 2 1 255.362 -0.096 20 0 CBADMP COC(=O)[C@@H](C)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001208720794 824457675 /nfs/dbraw/zinc/45/76/75/824457675.db2.gz LZQWQCWEAUBLLA-LBPRGKRZSA-N 2 1 285.388 -0.109 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1OC ZINC001212483284 824508097 /nfs/dbraw/zinc/50/80/97/824508097.db2.gz FIWRKUXCJOHBSP-VXGBXAGGSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1OC ZINC001212483284 824508098 /nfs/dbraw/zinc/50/80/98/824508098.db2.gz FIWRKUXCJOHBSP-VXGBXAGGSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC ZINC001212483284 824508099 /nfs/dbraw/zinc/50/80/99/824508099.db2.gz FIWRKUXCJOHBSP-VXGBXAGGSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001212483284 824508101 /nfs/dbraw/zinc/50/81/01/824508101.db2.gz FIWRKUXCJOHBSP-VXGBXAGGSA-N 2 1 287.404 -0.476 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348434 824511157 /nfs/dbraw/zinc/51/11/57/824511157.db2.gz MDIHTRHEQLBRTD-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747801 824514450 /nfs/dbraw/zinc/51/44/50/824514450.db2.gz RKZRADUCEAQVOV-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1OC ZINC001213678491 824514777 /nfs/dbraw/zinc/51/47/77/824514777.db2.gz YTFWVTMIHRGRPE-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1OC ZINC001213678491 824514780 /nfs/dbraw/zinc/51/47/80/824514780.db2.gz YTFWVTMIHRGRPE-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1OC ZINC001213678491 824514786 /nfs/dbraw/zinc/51/47/86/824514786.db2.gz YTFWVTMIHRGRPE-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857710 824515867 /nfs/dbraw/zinc/51/58/67/824515867.db2.gz TYQNSDXCGLKQBG-BFHYXJOUSA-N 2 1 299.415 -0.210 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213857710 824515868 /nfs/dbraw/zinc/51/58/68/824515868.db2.gz TYQNSDXCGLKQBG-BFHYXJOUSA-N 2 1 299.415 -0.210 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213857710 824515871 /nfs/dbraw/zinc/51/58/71/824515871.db2.gz TYQNSDXCGLKQBG-BFHYXJOUSA-N 2 1 299.415 -0.210 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921735 824517240 /nfs/dbraw/zinc/51/72/40/824517240.db2.gz JCJHXZVATQVQIR-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929689 824517840 /nfs/dbraw/zinc/51/78/40/824517840.db2.gz HLFBVXNVAGMCLM-JHJVBQTASA-N 2 1 287.404 -0.477 20 0 CBADMP CO[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929689 824517843 /nfs/dbraw/zinc/51/78/43/824517843.db2.gz HLFBVXNVAGMCLM-JHJVBQTASA-N 2 1 287.404 -0.477 20 0 CBADMP CO[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929689 824517846 /nfs/dbraw/zinc/51/78/46/824517846.db2.gz HLFBVXNVAGMCLM-JHJVBQTASA-N 2 1 287.404 -0.477 20 0 CBADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388609 824530804 /nfs/dbraw/zinc/53/08/04/824530804.db2.gz DPSXLXCRHZNVEU-UPJWGTAASA-N 2 1 285.388 -0.600 20 0 CBADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388609 824530808 /nfs/dbraw/zinc/53/08/08/824530808.db2.gz DPSXLXCRHZNVEU-UPJWGTAASA-N 2 1 285.388 -0.600 20 0 CBADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214389270 824530901 /nfs/dbraw/zinc/53/09/01/824530901.db2.gz UTUVQMBCCHFJDZ-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214389270 824530903 /nfs/dbraw/zinc/53/09/03/824530903.db2.gz UTUVQMBCCHFJDZ-MGPQQGTHSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214949992 824537539 /nfs/dbraw/zinc/53/75/39/824537539.db2.gz IMTCVHHNFDVDHR-AAVRWANBSA-N 2 1 299.415 -0.212 20 0 CBADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214949992 824537541 /nfs/dbraw/zinc/53/75/41/824537541.db2.gz IMTCVHHNFDVDHR-AAVRWANBSA-N 2 1 299.415 -0.212 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCCO ZINC001214950238 824537742 /nfs/dbraw/zinc/53/77/42/824537742.db2.gz NRSFPYLBERARPA-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCCO ZINC001214950238 824537748 /nfs/dbraw/zinc/53/77/48/824537748.db2.gz NRSFPYLBERARPA-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001215455939 824542260 /nfs/dbraw/zinc/54/22/60/824542260.db2.gz KADHYYHXJRIFDO-DGCLKSJQSA-N 2 1 294.403 -0.297 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216851884 824550680 /nfs/dbraw/zinc/55/06/80/824550680.db2.gz KAOIZTYEGYDLQB-VXGBXAGGSA-N 2 1 284.404 -0.491 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001216852084 824551089 /nfs/dbraw/zinc/55/10/89/824551089.db2.gz OFKINYBFBZGSMC-CHWSQXEVSA-N 2 1 298.431 -0.149 20 0 CBADMP NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@H]2CC[NH2+]CC(=O)C2)cc1 ZINC001218192353 824564494 /nfs/dbraw/zinc/56/44/94/824564494.db2.gz CGBNBBYCUXORQJ-KBPBESRZSA-N 2 1 291.351 -0.258 20 0 CBADMP CCOC(=O)c1c[nH]c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001218527024 824584253 /nfs/dbraw/zinc/58/42/53/824584253.db2.gz BIXGGVJDQCFMIM-QMMMGPOBSA-N 2 1 283.332 -0.019 20 0 CBADMP C[NH+]1CCN(c2ncccc2NC(=O)C[C@H](O)C[NH3+])CC1 ZINC001218555147 824589506 /nfs/dbraw/zinc/58/95/06/824589506.db2.gz FKBZLVWUUMNKOI-NSHDSACASA-N 2 1 293.371 -0.518 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001218557927 824590718 /nfs/dbraw/zinc/59/07/18/824590718.db2.gz NLLWJUKWCACYKG-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CCOC(=O)c1nc[nH]c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218560235 824591163 /nfs/dbraw/zinc/59/11/63/824591163.db2.gz VVDVNTSFZNJCNB-MRVPVSSYSA-N 2 1 293.327 -0.666 20 0 CBADMP [NH3+][C@H](C(=O)Nc1n[nH]c2nccnc12)C1CC[NH2+]CC1 ZINC001218568648 824594079 /nfs/dbraw/zinc/59/40/79/824594079.db2.gz RAQSTMVBRDSYEQ-QMMMGPOBSA-N 2 1 275.316 -0.430 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)Nc1noc2nccnc12 ZINC001218574599 824597169 /nfs/dbraw/zinc/59/71/69/824597169.db2.gz XXKKWFJNZWQOAN-ZETCQYMHSA-N 2 1 273.256 -0.151 20 0 CBADMP C[NH+]1CCN(c2ncc(NC(=O)C3([NH3+])CC3)cn2)CC1 ZINC001218580798 824599189 /nfs/dbraw/zinc/59/91/89/824599189.db2.gz XFBUTWDYVHFYEM-UHFFFAOYSA-N 2 1 276.344 -0.342 20 0 CBADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CCOC)C[C@@H]21 ZINC001218814620 824641766 /nfs/dbraw/zinc/64/17/66/824641766.db2.gz STWSZJJSGFGGOM-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CCOC)C[C@@H]21 ZINC001218814620 824641771 /nfs/dbraw/zinc/64/17/71/824641771.db2.gz STWSZJJSGFGGOM-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](C)O)C[C@@H]21 ZINC001219006697 824652747 /nfs/dbraw/zinc/65/27/47/824652747.db2.gz SIBCIEYATAWNJH-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](C)O)C[C@@H]21 ZINC001219006697 824652750 /nfs/dbraw/zinc/65/27/50/824652750.db2.gz SIBCIEYATAWNJH-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]21 ZINC001219006697 824652752 /nfs/dbraw/zinc/65/27/52/824652752.db2.gz SIBCIEYATAWNJH-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]21 ZINC001219006697 824652754 /nfs/dbraw/zinc/65/27/54/824652754.db2.gz SIBCIEYATAWNJH-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001219005000 824653103 /nfs/dbraw/zinc/65/31/03/824653103.db2.gz ZKZMKTJHUTWXOY-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001219005000 824653109 /nfs/dbraw/zinc/65/31/09/824653109.db2.gz ZKZMKTJHUTWXOY-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001219005000 824653112 /nfs/dbraw/zinc/65/31/12/824653112.db2.gz ZKZMKTJHUTWXOY-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001219005000 824653116 /nfs/dbraw/zinc/65/31/16/824653116.db2.gz ZKZMKTJHUTWXOY-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357824 824696560 /nfs/dbraw/zinc/69/65/60/824696560.db2.gz MLFFBSIVPZMDEM-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357824 824696565 /nfs/dbraw/zinc/69/65/65/824696565.db2.gz MLFFBSIVPZMDEM-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357824 824696570 /nfs/dbraw/zinc/69/65/70/824696570.db2.gz MLFFBSIVPZMDEM-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357824 824696574 /nfs/dbraw/zinc/69/65/74/824696574.db2.gz MLFFBSIVPZMDEM-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610611 824854884 /nfs/dbraw/zinc/85/48/84/824854884.db2.gz POBQJEYHPNUSHS-POYBYMJQSA-N 3 1 254.256 -0.927 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC001219614318 824854987 /nfs/dbraw/zinc/85/49/87/824854987.db2.gz WZXDHNKKBUNVSU-ACLDMZEESA-N 2 1 266.267 -0.914 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219618100 824858309 /nfs/dbraw/zinc/85/83/09/824858309.db2.gz UMUHAYQBYOROJE-NTZNESFSSA-N 2 1 273.352 -0.351 20 0 CBADMP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C1 ZINC001219641156 824870168 /nfs/dbraw/zinc/87/01/68/824870168.db2.gz GBIQAMQGLKRTSA-OJROKELRSA-N 2 1 266.389 -0.430 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001219644703 824871820 /nfs/dbraw/zinc/87/18/20/824871820.db2.gz FBMXAOADRBICSX-SDDRHHMPSA-N 2 1 255.362 -0.321 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001219644703 824871823 /nfs/dbraw/zinc/87/18/23/824871823.db2.gz FBMXAOADRBICSX-SDDRHHMPSA-N 2 1 255.362 -0.321 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001219650494 824872722 /nfs/dbraw/zinc/87/27/22/824872722.db2.gz ORRVTDXWKZVNBU-AGIUHOORSA-N 2 1 297.399 -0.157 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001219650494 824872726 /nfs/dbraw/zinc/87/27/26/824872726.db2.gz ORRVTDXWKZVNBU-AGIUHOORSA-N 2 1 297.399 -0.157 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001219648999 824873610 /nfs/dbraw/zinc/87/36/10/824873610.db2.gz CZQMDVGJSZIKCA-SGMGOOAPSA-N 2 1 297.447 -0.901 20 0 CBADMP NC[C@H]([NH3+])c1ccc(C(=O)NCCC2(O)C[NH2+]C2)cc1 ZINC001219697334 824881320 /nfs/dbraw/zinc/88/13/20/824881320.db2.gz SIGNKRMNXPTXNJ-LBPRGKRZSA-N 2 1 278.356 -0.901 20 0 CBADMP [NH3+]CCCNCC(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219705339 824882967 /nfs/dbraw/zinc/88/29/67/824882967.db2.gz ICKGTZFILXVVMK-UHFFFAOYSA-N 2 1 276.384 -0.113 20 0 CBADMP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1COC[NH2+]1 ZINC001219741298 824887767 /nfs/dbraw/zinc/88/77/67/824887767.db2.gz GONALFCRYIAAQQ-MNOVXSKESA-N 2 1 269.345 -0.650 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219767716 824891500 /nfs/dbraw/zinc/89/15/00/824891500.db2.gz CRNLDFCRTKPFNG-CMPLNLGQSA-N 2 1 269.324 -0.513 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219771772 824891739 /nfs/dbraw/zinc/89/17/39/824891739.db2.gz ROIPDVNPSUIEPP-GFCCVEGCSA-N 2 1 277.372 -0.072 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777267 824893280 /nfs/dbraw/zinc/89/32/80/824893280.db2.gz FKRMFEBJDIGDDI-CYBMUJFWSA-N 2 1 280.416 -0.119 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805774 824895911 /nfs/dbraw/zinc/89/59/11/824895911.db2.gz RSFQRJLQBSIODB-RDBSUJKOSA-N 2 1 299.415 -0.476 20 0 CBADMP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802022 824896328 /nfs/dbraw/zinc/89/63/28/824896328.db2.gz DMLQGVBEMMXEQH-UPJWGTAASA-N 2 1 299.415 -0.333 20 0 CBADMP [NH3+]CCCNCC(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219825094 824898864 /nfs/dbraw/zinc/89/88/64/824898864.db2.gz COAIPXZMJKQKOB-JTQLQIEISA-N 2 1 268.386 -0.053 20 0 CBADMP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@@H]1COC[NH2+]1 ZINC001219824004 824899537 /nfs/dbraw/zinc/89/95/37/824899537.db2.gz WZWPJRXCGNRIOQ-IUCAKERBSA-N 2 1 253.327 -0.046 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219829762 824900225 /nfs/dbraw/zinc/90/02/25/824900225.db2.gz DFJNOJGFCBMJFT-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219829762 824900229 /nfs/dbraw/zinc/90/02/29/824900229.db2.gz DFJNOJGFCBMJFT-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219829762 824900231 /nfs/dbraw/zinc/90/02/31/824900231.db2.gz DFJNOJGFCBMJFT-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219846900 824901255 /nfs/dbraw/zinc/90/12/55/824901255.db2.gz JBICIQOSTMOCJF-WOPDTQHZSA-N 2 1 257.378 -0.246 20 0 CBADMP NC[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001219856761 824902606 /nfs/dbraw/zinc/90/26/06/824902606.db2.gz ZWXACVCKDHBJCF-YIYPIFLZSA-N 2 1 290.367 -0.638 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[NH2+]CCN2)C1 ZINC001219980307 824929096 /nfs/dbraw/zinc/92/90/96/824929096.db2.gz GIFGGWNCCRZXNZ-RYUDHWBXSA-N 2 1 254.378 -0.604 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2[NH2+]CC[C@H]2O)C1 ZINC001219980529 824929593 /nfs/dbraw/zinc/92/95/93/824929593.db2.gz KIGXCSDOBNTWLY-UTUOFQBUSA-N 2 1 255.362 -0.443 20 0 CBADMP N=c1cc(C[NH3+])ncn1C(=O)c1ccc([C@H]([NH3+])CN)cc1 ZINC001220020365 824936410 /nfs/dbraw/zinc/93/64/10/824936410.db2.gz GKJCNBFVOPXEOC-GFCCVEGCSA-N 2 1 286.339 -0.532 20 0 CBADMP C[NH2+]CCNC(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001220052870 824945418 /nfs/dbraw/zinc/94/54/18/824945418.db2.gz HMIWNKHUGKWEAB-LBPRGKRZSA-N 3 1 268.405 -0.214 20 0 CBADMP C[NH2+]CCNC(=O)[C@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001220051312 824945818 /nfs/dbraw/zinc/94/58/18/824945818.db2.gz UKXWGFPOZFOFMF-ZIAGYGMSSA-N 2 1 277.368 -0.043 20 0 CBADMP C[NH2+]CCNC(=O)[C@H]1[C@H](O)CC[N@H+]1Cc1ccccc1 ZINC001220051312 824945825 /nfs/dbraw/zinc/94/58/25/824945825.db2.gz UKXWGFPOZFOFMF-ZIAGYGMSSA-N 2 1 277.368 -0.043 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001220061671 824947161 /nfs/dbraw/zinc/94/71/61/824947161.db2.gz BRZYKXOOYCFNAN-AVGNSLFASA-N 2 1 268.405 -0.086 20 0 CBADMP CCOC(=O)C(C)(C)NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220063780 824949323 /nfs/dbraw/zinc/94/93/23/824949323.db2.gz CJXOXTOEZSPION-UHFFFAOYSA-N 2 1 271.361 -0.214 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220071687 824950904 /nfs/dbraw/zinc/95/09/04/824950904.db2.gz NKIFSOUVLBEYPU-NSHDSACASA-N 3 1 275.356 -0.603 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC001220071618 824951342 /nfs/dbraw/zinc/95/13/42/824951342.db2.gz LHLVPLRJVIXTAE-NSHDSACASA-N 2 1 264.329 -0.033 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001220156724 824972436 /nfs/dbraw/zinc/97/24/36/824972436.db2.gz HSWJUPQDWGQFGZ-UWVGGRQHSA-N 2 1 257.334 -0.523 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001220156724 824972439 /nfs/dbraw/zinc/97/24/39/824972439.db2.gz HSWJUPQDWGQFGZ-UWVGGRQHSA-N 2 1 257.334 -0.523 20 0 CBADMP N=C(N)N(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1F ZINC001220106629 824956577 /nfs/dbraw/zinc/95/65/77/824956577.db2.gz VRPAMFMTVMLUFT-SECBINFHSA-N 2 1 291.330 -0.139 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001220158705 824972838 /nfs/dbraw/zinc/97/28/38/824972838.db2.gz FRZWDVQJAVNORI-ZMLRMANQSA-N 2 1 252.362 -0.855 20 0 CBADMP C[C@@H]([NH3+])c1ncc(C(=O)NC2(C[NH3+])COC2)s1 ZINC001220157124 824972878 /nfs/dbraw/zinc/97/28/78/824972878.db2.gz XHUJYQXAROZBMP-ZCFIWIBFSA-N 2 1 256.331 -0.380 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163035 824974314 /nfs/dbraw/zinc/97/43/14/824974314.db2.gz OEUKAQCJROGMAW-NTZNESFSSA-N 3 1 254.378 -0.299 20 0 CBADMP [NH3+]CCCNCC(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161705 824974462 /nfs/dbraw/zinc/97/44/62/824974462.db2.gz FFJSLRHENJUSDE-JSGCOSHPSA-N 2 1 268.405 -0.037 20 0 CBADMP [NH3+]CCCNCC(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161707 824974702 /nfs/dbraw/zinc/97/47/02/824974702.db2.gz FFJSLRHENJUSDE-TZMCWYRMSA-N 2 1 268.405 -0.037 20 0 CBADMP C[C@@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)c1cncnc1 ZINC001220183166 824980682 /nfs/dbraw/zinc/98/06/82/824980682.db2.gz GRVZKGNIVWAASP-SNVBAGLBSA-N 2 1 263.345 -0.005 20 0 CBADMP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237913 824991102 /nfs/dbraw/zinc/99/11/02/824991102.db2.gz HRUYYUGHLRCKBZ-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)CC1 ZINC001220229034 824991536 /nfs/dbraw/zinc/99/15/36/824991536.db2.gz JVODQZQUWDAVKE-OLZOCXBDSA-N 2 1 281.400 -0.101 20 0 CBADMP C[N@@H+]1CCC[C@H]1CCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220251730 824994851 /nfs/dbraw/zinc/99/48/51/824994851.db2.gz CTOKHIWZLWXEGX-ZDUSSCGKSA-N 3 1 268.405 -0.072 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)CNC1CC[NH2+]CC1 ZINC001220251730 824994849 /nfs/dbraw/zinc/99/48/49/824994849.db2.gz CTOKHIWZLWXEGX-ZDUSSCGKSA-N 2 1 268.405 -0.072 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220251730 824994858 /nfs/dbraw/zinc/99/48/58/824994858.db2.gz CTOKHIWZLWXEGX-ZDUSSCGKSA-N 3 1 268.405 -0.072 20 0 CBADMP C[NH+](C)CC(C)(C)CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001220254609 824995646 /nfs/dbraw/zinc/99/56/46/824995646.db2.gz STNISFDDBLEEAH-GYSYKLTISA-N 2 1 268.405 -0.088 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220252008 824995739 /nfs/dbraw/zinc/99/57/39/824995739.db2.gz LLCCBTGACVVGKV-YPMHNXCESA-N 2 1 254.378 -0.332 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220252269 824996431 /nfs/dbraw/zinc/99/64/31/824996431.db2.gz UDWCYASKTATQHN-YRGRVCCFSA-N 2 1 266.389 -0.462 20 0 CBADMP C[NH+](C)CC(C)(C)CNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220254173 824996514 /nfs/dbraw/zinc/99/65/14/824996514.db2.gz LKUZRKJXQAHKEA-CYBMUJFWSA-N 2 1 299.463 -0.559 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220254745 824996962 /nfs/dbraw/zinc/99/69/62/824996962.db2.gz VZWZSWMMJBIHAY-UONOGXRCSA-N 3 1 297.447 -0.663 20 0 CBADMP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220254745 824996965 /nfs/dbraw/zinc/99/69/65/824996965.db2.gz VZWZSWMMJBIHAY-UONOGXRCSA-N 2 1 297.447 -0.663 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220254745 824996970 /nfs/dbraw/zinc/99/69/70/824996970.db2.gz VZWZSWMMJBIHAY-UONOGXRCSA-N 2 1 297.447 -0.663 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220251805 824997021 /nfs/dbraw/zinc/99/70/21/824997021.db2.gz FYWKBWFIQXJVBE-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220272181 825001355 /nfs/dbraw/zinc/00/13/55/825001355.db2.gz SNMYAELFEYZREU-NEPJUHHUSA-N 2 1 255.362 -0.491 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCCC(=O)Nc1nccs1 ZINC001220270981 825001929 /nfs/dbraw/zinc/00/19/29/825001929.db2.gz OMEXVDSOPWXUDL-ZETCQYMHSA-N 2 1 271.346 -0.736 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001220277142 825003066 /nfs/dbraw/zinc/00/30/66/825003066.db2.gz SBJVWQCHIQPGCN-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCN1CCC[N@@H+](C)CC1 ZINC001220303945 825010588 /nfs/dbraw/zinc/01/05/88/825010588.db2.gz JQZWELUVMLPJMP-AWEZNQCLSA-N 3 1 299.463 -0.543 20 0 CBADMP CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355490 825020459 /nfs/dbraw/zinc/02/04/59/825020459.db2.gz RNXCBJFYTDJNRS-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355490 825020463 /nfs/dbraw/zinc/02/04/63/825020463.db2.gz RNXCBJFYTDJNRS-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355490 825020466 /nfs/dbraw/zinc/02/04/66/825020466.db2.gz RNXCBJFYTDJNRS-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355490 825020470 /nfs/dbraw/zinc/02/04/70/825020470.db2.gz RNXCBJFYTDJNRS-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220352043 825020553 /nfs/dbraw/zinc/02/05/53/825020553.db2.gz RGIKMIJJIOCBSZ-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220352043 825020556 /nfs/dbraw/zinc/02/05/56/825020556.db2.gz RGIKMIJJIOCBSZ-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220352043 825020560 /nfs/dbraw/zinc/02/05/60/825020560.db2.gz RGIKMIJJIOCBSZ-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220352043 825020563 /nfs/dbraw/zinc/02/05/63/825020563.db2.gz RGIKMIJJIOCBSZ-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220381874 825024943 /nfs/dbraw/zinc/02/49/43/825024943.db2.gz XSKBEGJXTMTXFV-AGIUHOORSA-N 2 1 287.404 -0.476 20 0 CBADMP CCOC(=O)c1cccc(CNC(=O)[C@@H]([NH3+])CC[NH3+])n1 ZINC001220403286 825032071 /nfs/dbraw/zinc/03/20/71/825032071.db2.gz MMZFFXUZRGALLW-JTQLQIEISA-N 2 1 280.328 -0.449 20 0 CBADMP N[C@@]1(C(=O)NC2CC[NH+](CCF)CC2)CC[NH2+]C1 ZINC001220436348 825038177 /nfs/dbraw/zinc/03/81/77/825038177.db2.gz TWAGDJWDLTVIBX-LBPRGKRZSA-N 2 1 258.341 -0.773 20 0 CBADMP O=C(NC1CC[NH+](CCF)CC1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220436260 825038542 /nfs/dbraw/zinc/03/85/42/825038542.db2.gz SSWVOYXJRCTQHZ-FZMZJTMJSA-N 2 1 284.379 -0.512 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCC1([NH3+])CCCC1 ZINC001220494608 825049888 /nfs/dbraw/zinc/04/98/88/825049888.db2.gz PISNCBSIJNIJKK-JTQLQIEISA-N 2 1 251.334 -0.333 20 0 CBADMP CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553866 825061842 /nfs/dbraw/zinc/06/18/42/825061842.db2.gz VLAFLLFCAMUOPU-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553866 825061848 /nfs/dbraw/zinc/06/18/48/825061848.db2.gz VLAFLLFCAMUOPU-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220570814 825064702 /nfs/dbraw/zinc/06/47/02/825064702.db2.gz ARLOMPSDIPIQPL-GHMZBOCLSA-N 2 1 253.346 -0.438 20 0 CBADMP O=C(NCC[NH+]1CC2(COC2)C1)[C@H]1CC[NH2+]C[C@H]1F ZINC001220571151 825065500 /nfs/dbraw/zinc/06/55/00/825065500.db2.gz KFLKNFPNKUHUDM-WDEREUQCSA-N 2 1 271.336 -0.618 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001220574592 825068577 /nfs/dbraw/zinc/06/85/77/825068577.db2.gz FXQPRYHEGUJRGJ-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220585129 825072256 /nfs/dbraw/zinc/07/22/56/825072256.db2.gz YGAFIUOEPOHAEG-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP COC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220628041 825077066 /nfs/dbraw/zinc/07/70/66/825077066.db2.gz PYSGKROHKCKLEL-SWLSCSKDSA-N 2 1 293.367 -0.047 20 0 CBADMP NCc1ncccc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220711615 825090961 /nfs/dbraw/zinc/09/09/61/825090961.db2.gz QHYIGQCTKSVOMN-VIFPVBQESA-N 2 1 251.334 -0.065 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@]1(N)CC[NH2+]C1)C2 ZINC001220717016 825093476 /nfs/dbraw/zinc/09/34/76/825093476.db2.gz XAJWJALEBWHFLP-NRWUCQMLSA-N 2 1 266.389 -0.191 20 0 CBADMP COC(CCCNC(=O)C[NH2+]C1CC[NH2+]CC1)OC ZINC001220742338 825096087 /nfs/dbraw/zinc/09/60/87/825096087.db2.gz WSWFTEVZFDBQIS-UHFFFAOYSA-N 2 1 273.377 -0.157 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001220768710 825098681 /nfs/dbraw/zinc/09/86/81/825098681.db2.gz ZFZUTIWACCAKEV-NEPJUHHUSA-N 2 1 291.367 -0.915 20 0 CBADMP [NH3+]CCCNCC(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220791084 825102201 /nfs/dbraw/zinc/10/22/01/825102201.db2.gz WTQNMOOSVXHCNT-DZGCQCFKSA-N 2 1 291.399 -0.213 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@@H]1COCC[NH2+]1 ZINC001220804140 825104086 /nfs/dbraw/zinc/10/40/86/825104086.db2.gz NCAVKSBTVLQRKA-HLTSFMKQSA-N 2 1 281.278 -0.369 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1COCC[NH2+]1 ZINC001220804139 825104701 /nfs/dbraw/zinc/10/47/01/825104701.db2.gz NCAVKSBTVLQRKA-CIUDSAMLSA-N 2 1 281.278 -0.369 20 0 CBADMP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])c2cccnc2)C[NH2+]C1 ZINC001220825533 825107009 /nfs/dbraw/zinc/10/70/09/825107009.db2.gz LBLSWBQXCRGRNM-LBPRGKRZSA-N 2 1 290.323 -0.382 20 0 CBADMP [NH3+]CCCNCC(=O)NCc1ccccc1C[NH3+] ZINC001220855361 825113658 /nfs/dbraw/zinc/11/36/58/825113658.db2.gz VNPRICIPKPWJTO-UHFFFAOYSA-N 2 1 250.346 -0.300 20 0 CBADMP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220859993 825114062 /nfs/dbraw/zinc/11/40/62/825114062.db2.gz WOUFRHBHPFBKKH-RYUDHWBXSA-N 2 1 285.436 -0.774 20 0 CBADMP [NH3+]Cc1cccc(C(=O)NCCN2CC[NH2+]CC2=O)c1 ZINC001220877216 825118763 /nfs/dbraw/zinc/11/87/63/825118763.db2.gz WCSSMMZVKFJVOR-UHFFFAOYSA-N 2 1 276.340 -0.693 20 0 CBADMP [NH3+]CC1CCC(C(=O)NCCN2CC[NH2+]CC2=O)CC1 ZINC001220874658 825118862 /nfs/dbraw/zinc/11/88/62/825118862.db2.gz KSFZDFHWQLYCFZ-UHFFFAOYSA-N 2 1 282.388 -0.701 20 0 CBADMP COC(=O)[C@@H]1C[C@H]1CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220881336 825119024 /nfs/dbraw/zinc/11/90/24/825119024.db2.gz ITJXYSHLAFAXPT-GXSJLCMTSA-N 2 1 269.345 -0.747 20 0 CBADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC001220889221 825120911 /nfs/dbraw/zinc/12/09/11/825120911.db2.gz GDDBFMGWGMCVHN-NWDGAFQWSA-N 2 1 268.405 -0.073 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCC1CCN(c2ncccn2)CC1 ZINC001220929502 825123754 /nfs/dbraw/zinc/12/37/54/825123754.db2.gz APPPNMZIOHBGMD-LBPRGKRZSA-N 2 1 292.387 -0.515 20 0 CBADMP N[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001220914787 825123859 /nfs/dbraw/zinc/12/38/59/825123859.db2.gz ASZFFRDNQYPKIQ-RYUDHWBXSA-N 2 1 263.345 -0.942 20 0 CBADMP N[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001220914787 825123861 /nfs/dbraw/zinc/12/38/61/825123861.db2.gz ASZFFRDNQYPKIQ-RYUDHWBXSA-N 2 1 263.345 -0.942 20 0 CBADMP N[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3cccnc3)C2)CC[NH2+]C1 ZINC001220915171 825124608 /nfs/dbraw/zinc/12/46/08/825124608.db2.gz QDTSFNCPFCAXGV-ZFWWWQNUSA-N 2 1 289.383 -0.537 20 0 CBADMP N[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3cccnc3)C2)CC[NH2+]C1 ZINC001220915171 825124612 /nfs/dbraw/zinc/12/46/12/825124612.db2.gz QDTSFNCPFCAXGV-ZFWWWQNUSA-N 2 1 289.383 -0.537 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC1(c2ncccn2)CC1 ZINC001220932518 825125820 /nfs/dbraw/zinc/12/58/20/825125820.db2.gz MBQVADKIIBZCKY-UHFFFAOYSA-N 2 1 275.356 -0.077 20 0 CBADMP Nc1ccc([C@H](CCO)NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)cc1 ZINC001220955905 825128673 /nfs/dbraw/zinc/12/86/73/825128673.db2.gz RKXYBQGTNRCVCV-AGIUHOORSA-N 2 1 278.356 -0.502 20 0 CBADMP COc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH3+])nc1OC ZINC001220954908 825129298 /nfs/dbraw/zinc/12/92/98/825129298.db2.gz AGHYHZVDIGNMBT-VIFPVBQESA-N 2 1 268.317 -0.609 20 0 CBADMP COCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979926 825132326 /nfs/dbraw/zinc/13/23/26/825132326.db2.gz YICWEFVSOKNMEX-OLZOCXBDSA-N 2 1 296.371 -0.611 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979926 825132331 /nfs/dbraw/zinc/13/23/31/825132331.db2.gz YICWEFVSOKNMEX-OLZOCXBDSA-N 2 1 296.371 -0.611 20 0 CBADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978279 825132430 /nfs/dbraw/zinc/13/24/30/825132430.db2.gz VWGJAERWMCZTAX-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978279 825132432 /nfs/dbraw/zinc/13/24/32/825132432.db2.gz VWGJAERWMCZTAX-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP O=C(NCc1[nH+]cn2ccccc12)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001221007577 825134149 /nfs/dbraw/zinc/13/41/49/825134149.db2.gz ADDQMZFUESIMOL-ABAIWWIYSA-N 2 1 285.351 -0.098 20 0 CBADMP O=C(NCc1[nH+]cn2ccccc12)[C@@H]1C[NH2+]C[C@H]1O ZINC001221007872 825135837 /nfs/dbraw/zinc/13/58/37/825135837.db2.gz GNAUVSJNPLLYID-BXKDBHETSA-N 2 1 260.297 -0.469 20 0 CBADMP O=C(N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1)[C@@H]1COCC[NH2+]1 ZINC001221056428 825140060 /nfs/dbraw/zinc/14/00/60/825140060.db2.gz RTMIIOKLJNJSAL-IHRRRGAJSA-N 2 1 297.399 -0.266 20 0 CBADMP COC(=O)c1ccc(CNC(=O)C[NH2+]C2CC[NH2+]CC2)[nH]1 ZINC001221079700 825141135 /nfs/dbraw/zinc/14/11/35/825141135.db2.gz JSMZGMFSECJCTB-UHFFFAOYSA-N 2 1 294.355 -0.241 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091778 825143524 /nfs/dbraw/zinc/14/35/24/825143524.db2.gz WUEPHZZCFDRKDR-RDBSUJKOSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091778 825143527 /nfs/dbraw/zinc/14/35/27/825143527.db2.gz WUEPHZZCFDRKDR-RDBSUJKOSA-N 2 1 299.415 -0.740 20 0 CBADMP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1COC[NH2+]1 ZINC001221114033 825144951 /nfs/dbraw/zinc/14/49/51/825144951.db2.gz KORSRJAPWGYGNW-LBPRGKRZSA-N 2 1 290.367 -0.235 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221123652 825145037 /nfs/dbraw/zinc/14/50/37/825145037.db2.gz DPXUJDNUJSGCOQ-LBPRGKRZSA-N 3 1 277.372 -0.547 20 0 CBADMP CC(C)(C)[NH+]1CC(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001221193868 825152916 /nfs/dbraw/zinc/15/29/16/825152916.db2.gz GZEBISODJREJNE-NSHDSACASA-N 3 1 266.389 -0.606 20 0 CBADMP CC(C)(C)[NH+]1CC(NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001221193536 825153212 /nfs/dbraw/zinc/15/32/12/825153212.db2.gz BTDAKHZCQFUYCB-IINYFYTJSA-N 2 1 266.389 -0.463 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001221241082 825157894 /nfs/dbraw/zinc/15/78/94/825157894.db2.gz NIOATFLQSLAXKD-FPMFFAJLSA-N 2 1 266.389 -0.462 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001221241090 825157980 /nfs/dbraw/zinc/15/79/80/825157980.db2.gz NJWJLPNQMVSITE-WCQYABFASA-N 2 1 265.361 -0.120 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001221241068 825159252 /nfs/dbraw/zinc/15/92/52/825159252.db2.gz MXVWQWCULAAJRX-RFHZTLPTSA-N 2 1 266.389 -0.191 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001221243253 825160945 /nfs/dbraw/zinc/16/09/45/825160945.db2.gz HDCUJCLMQLEMRT-JQWIXIFHSA-N 3 1 274.434 -0.394 20 0 CBADMP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001221243253 825160948 /nfs/dbraw/zinc/16/09/48/825160948.db2.gz HDCUJCLMQLEMRT-JQWIXIFHSA-N 2 1 274.434 -0.394 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001221243253 825160952 /nfs/dbraw/zinc/16/09/52/825160952.db2.gz HDCUJCLMQLEMRT-JQWIXIFHSA-N 2 1 274.434 -0.394 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221254774 825161736 /nfs/dbraw/zinc/16/17/36/825161736.db2.gz SRVFCVOFYXLJIB-JQWIXIFHSA-N 3 1 254.378 -0.619 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221248011 825162397 /nfs/dbraw/zinc/16/23/97/825162397.db2.gz GAJKSMTXTOGRJV-WCQYABFASA-N 3 1 254.378 -0.299 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CC(=O)N2 ZINC001221298661 825168007 /nfs/dbraw/zinc/16/80/07/825168007.db2.gz XFGSTNVRMNBNHQ-JTQLQIEISA-N 2 1 262.313 -0.527 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@H]1c2ccccc2NC1=O ZINC001221309889 825169368 /nfs/dbraw/zinc/16/93/68/825169368.db2.gz YRAZICBEXOMCNH-UWVGGRQHSA-N 2 1 262.313 -0.485 20 0 CBADMP COc1cnccc1CCNC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001221336701 825173963 /nfs/dbraw/zinc/17/39/63/825173963.db2.gz GQQIBYUROBPXFB-JTQLQIEISA-N 2 1 252.318 -0.575 20 0 CBADMP NC1=CC=C(C2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)[NH2+]C1 ZINC001221391371 825179756 /nfs/dbraw/zinc/17/97/56/825179756.db2.gz FBVCBTYYWBAHNV-AWEZNQCLSA-N 2 1 292.383 -0.457 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221398348 825182796 /nfs/dbraw/zinc/18/27/96/825182796.db2.gz YFJLLYGFPBEGIX-STQMWFEESA-N 3 1 262.357 -0.507 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](N)CC[NH3+])[C@@H](C)C1 ZINC001221405856 825184688 /nfs/dbraw/zinc/18/46/88/825184688.db2.gz CDAKTLGHZZWXGU-SRVKXCTJSA-N 2 1 256.394 -0.103 20 0 CBADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])[C@@H](C)C1 ZINC001221405856 825184692 /nfs/dbraw/zinc/18/46/92/825184692.db2.gz CDAKTLGHZZWXGU-SRVKXCTJSA-N 3 1 256.394 -0.103 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])[C@@H](C)C1 ZINC001221405856 825184695 /nfs/dbraw/zinc/18/46/95/825184695.db2.gz CDAKTLGHZZWXGU-SRVKXCTJSA-N 3 1 256.394 -0.103 20 0 CBADMP Cc1nc(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n[nH]1 ZINC001221409914 825185147 /nfs/dbraw/zinc/18/51/47/825185147.db2.gz VOAIHWFTWXUAMM-SNVBAGLBSA-N 2 1 252.322 -0.944 20 0 CBADMP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@@H]1COCC[NH2+]1 ZINC001221409609 825185177 /nfs/dbraw/zinc/18/51/77/825185177.db2.gz NYJUSZSSMZTDFB-RYUDHWBXSA-N 2 1 253.346 -0.521 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)[C@@H](C)C1 ZINC001221409888 825186067 /nfs/dbraw/zinc/18/60/67/825186067.db2.gz VLYXPNZIGUPLRY-RVMXOQNASA-N 2 1 269.389 -0.056 20 0 CBADMP CC1(C)NC[C@@H](C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)O1 ZINC001222086223 825199822 /nfs/dbraw/zinc/19/98/22/825199822.db2.gz UAPMUDJPCOQCTK-LBPRGKRZSA-N 2 1 268.405 -0.262 20 0 CBADMP CC1(C)NC[C@@H](C[N@H+]2CCNC3(CC[NH2+]CC3)C2)O1 ZINC001222086223 825199825 /nfs/dbraw/zinc/19/98/25/825199825.db2.gz UAPMUDJPCOQCTK-LBPRGKRZSA-N 2 1 268.405 -0.262 20 0 CBADMP Nc1nccnc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222095752 825200919 /nfs/dbraw/zinc/20/09/19/825200919.db2.gz YYZREQCXQOAWTD-UHFFFAOYSA-N 2 1 262.361 -0.414 20 0 CBADMP Cn1nncc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222104871 825201491 /nfs/dbraw/zinc/20/14/91/825201491.db2.gz OSUAMADFPKMEFO-UHFFFAOYSA-N 2 1 250.350 -0.658 20 0 CBADMP Cn1nncc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222104871 825201499 /nfs/dbraw/zinc/20/14/99/825201499.db2.gz OSUAMADFPKMEFO-UHFFFAOYSA-N 2 1 250.350 -0.658 20 0 CBADMP CCOC(=O)[C@@]12C[N@@H+](CCO)C[C@@H]1C[NH2+]CCC2 ZINC001222124964 825201525 /nfs/dbraw/zinc/20/15/25/825201525.db2.gz BKGPZJWOBGQIFN-AAEUAGOBSA-N 2 1 256.346 -0.157 20 0 CBADMP O=c1[nH]cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(=O)[nH]1 ZINC001222099524 825202012 /nfs/dbraw/zinc/20/20/12/825202012.db2.gz GLDJTDOJTMQAIH-UHFFFAOYSA-N 2 1 279.344 -0.585 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCN1C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001222414575 825210203 /nfs/dbraw/zinc/21/02/03/825210203.db2.gz MMPMZOVMVBUXHS-DCAQKATOSA-N 2 1 291.342 -0.076 20 0 CBADMP Nc1ncc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cn1 ZINC001222497454 825211971 /nfs/dbraw/zinc/21/19/71/825211971.db2.gz KJGZXTPIQNPQSO-RYUDHWBXSA-N 2 1 262.361 -0.415 20 0 CBADMP C([C@@H]1COCC[NH2+]1)N1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492392 825213026 /nfs/dbraw/zinc/21/30/26/825213026.db2.gz WLWJDVAMKFJVTJ-AGIUHOORSA-N 3 1 254.378 -0.999 20 0 CBADMP C(C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21)[C@H]1C[NH2+]CCO1 ZINC001222491534 825213112 /nfs/dbraw/zinc/21/31/12/825213112.db2.gz DPLXAPTUDUKJJV-IHRRRGAJSA-N 3 1 268.405 -0.609 20 0 CBADMP C(CN1CCN[C@H]2CC[NH2+]CC[C@@H]21)[C@H]1C[NH2+]CCO1 ZINC001222491534 825213122 /nfs/dbraw/zinc/21/31/22/825213122.db2.gz DPLXAPTUDUKJJV-IHRRRGAJSA-N 2 1 268.405 -0.609 20 0 CBADMP CN1CCN(C(=O)CO[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)CC1 ZINC001222537041 825213863 /nfs/dbraw/zinc/21/38/63/825213863.db2.gz NGMNYXRSHGTICN-YUTCNCBUSA-N 2 1 295.383 -0.419 20 0 CBADMP CN1[C@@H]2C[C@H](OCC(=O)N3CCN(C)CC3)[C@H]1CC(=O)C2 ZINC001222537041 825213869 /nfs/dbraw/zinc/21/38/69/825213869.db2.gz NGMNYXRSHGTICN-YUTCNCBUSA-N 2 1 295.383 -0.419 20 0 CBADMP C[NH+]1CCN(C(=O)CO[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001222536858 825214313 /nfs/dbraw/zinc/21/43/13/825214313.db2.gz HXJFWJZLVGHNOC-CYBMUJFWSA-N 2 1 267.373 -0.129 20 0 CBADMP O=C1C[N@H+](CCCCCO)CC2(CC[NH2+]CC2)N1 ZINC001222515294 825214810 /nfs/dbraw/zinc/21/48/10/825214810.db2.gz PCYZTEQYZZNCLL-UHFFFAOYSA-N 2 1 255.362 -0.297 20 0 CBADMP CC[N@@H+]1CC[C@@H](OCC(=O)N2CC[NH+](C)CC2)C1 ZINC001222536683 825215455 /nfs/dbraw/zinc/21/54/55/825215455.db2.gz CNIMESCKJDATDC-GFCCVEGCSA-N 2 1 255.362 -0.129 20 0 CBADMP CC[N@H+]1CC[C@@H](OCC(=O)N2CC[NH+](C)CC2)C1 ZINC001222536683 825215462 /nfs/dbraw/zinc/21/54/62/825215462.db2.gz CNIMESCKJDATDC-GFCCVEGCSA-N 2 1 255.362 -0.129 20 0 CBADMP C(CN1CCNC[C@]2(CCCC[NH2+]2)C1)[C@@H]1C[NH2+]CCO1 ZINC001222668860 825221097 /nfs/dbraw/zinc/22/10/97/825221097.db2.gz NWNFICPIFGIDQI-HUUCEWRRSA-N 2 1 282.432 -0.218 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229000036 825327079 /nfs/dbraw/zinc/32/70/79/825327079.db2.gz XHVPTVQBJXMFTJ-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@H+](C)CCC(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001229901134 825338984 /nfs/dbraw/zinc/33/89/84/825338984.db2.gz KWVHMSKOBZFPJA-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001229901134 825338992 /nfs/dbraw/zinc/33/89/92/825338992.db2.gz KWVHMSKOBZFPJA-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138233 825343700 /nfs/dbraw/zinc/34/37/00/825343700.db2.gz LHNVOHVLVNKIMY-YNEHKIRRSA-N 2 1 296.415 -0.299 20 0 CBADMP CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230262850 825344944 /nfs/dbraw/zinc/34/49/44/825344944.db2.gz VRHAHBDMPJJOLJ-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230262850 825344953 /nfs/dbraw/zinc/34/49/53/825344953.db2.gz VRHAHBDMPJJOLJ-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP COC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230262771 825345368 /nfs/dbraw/zinc/34/53/68/825345368.db2.gz RGRYDFLIWINSAN-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001231702705 825413209 /nfs/dbraw/zinc/41/32/09/825413209.db2.gz DPGVIXYDNIXTCZ-AOOOYVTPSA-N 2 1 250.302 -0.119 20 0 CBADMP C[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001231702705 825413196 /nfs/dbraw/zinc/41/31/96/825413196.db2.gz DPGVIXYDNIXTCZ-AOOOYVTPSA-N 2 1 250.302 -0.119 20 0 CBADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001231702705 825413201 /nfs/dbraw/zinc/41/32/01/825413201.db2.gz DPGVIXYDNIXTCZ-AOOOYVTPSA-N 2 1 250.302 -0.119 20 0 CBADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001231702705 825413203 /nfs/dbraw/zinc/41/32/03/825413203.db2.gz DPGVIXYDNIXTCZ-AOOOYVTPSA-N 2 1 250.302 -0.119 20 0 CBADMP COC(=O)c1cnc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cn1 ZINC001234987123 825479596 /nfs/dbraw/zinc/47/95/96/825479596.db2.gz GDWLQSCLMNTAEJ-AWEZNQCLSA-N 2 1 291.355 -0.600 20 0 CBADMP c1cc2n(c1CN1CC[NH2+]C[C@]13CC[NH2+]C3)CC[NH2+]C2 ZINC001234990218 825479830 /nfs/dbraw/zinc/47/98/30/825479830.db2.gz UZYXOZNKLMNNGC-OAHLLOKOSA-N 3 1 275.400 -0.271 20 0 CBADMP Cc1nnc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)s1 ZINC001234986674 825479968 /nfs/dbraw/zinc/47/99/68/825479968.db2.gz DYWVOHKVVWYDAB-NSHDSACASA-N 2 1 253.375 -0.016 20 0 CBADMP N[C@H]1NC(CN2CC[NH2+]C[C@]23CC[NH2+]C3)=CS1 ZINC001234982026 825480502 /nfs/dbraw/zinc/48/05/02/825480502.db2.gz QXTWPZSIQCVPLG-WDEREUQCSA-N 2 1 255.391 -0.956 20 0 CBADMP c1cc2c(nc1CN1CC[NH2+]C[C@]13CC[NH2+]C3)OCCO2 ZINC001234986615 825480852 /nfs/dbraw/zinc/48/08/52/825480852.db2.gz BKRVAYPKIKWLNF-OAHLLOKOSA-N 2 1 290.367 -0.010 20 0 CBADMP c1c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)nc2n1CCNC2 ZINC001234979364 825480934 /nfs/dbraw/zinc/48/09/34/825480934.db2.gz CRSJGQCIUUAIBA-AWEZNQCLSA-N 2 1 276.388 -0.876 20 0 CBADMP CCOC(=O)c1nc[nH]c1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234988610 825481140 /nfs/dbraw/zinc/48/11/40/825481140.db2.gz JVAMDLBYQQSJGQ-CQSZACIVSA-N 2 1 293.371 -0.276 20 0 CBADMP CCOC(=O)c1n[nH]cc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234985772 825481218 /nfs/dbraw/zinc/48/12/18/825481218.db2.gz FUNFKEOLESQFNQ-CQSZACIVSA-N 2 1 293.371 -0.276 20 0 CBADMP c1nc2n(c1CN1CC[NH2+]C[C@]13CC[NH2+]C3)CC[NH2+]CC2 ZINC001234982290 825481250 /nfs/dbraw/zinc/48/12/50/825481250.db2.gz OREFQBDSTRPGER-OAHLLOKOSA-N 3 1 290.415 -0.834 20 0 CBADMP Cc1[nH]c(=O)[nH]c(=O)c1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234983176 825481284 /nfs/dbraw/zinc/48/12/84/825481284.db2.gz UEFDWQXUIWOTAZ-CYBMUJFWSA-N 2 1 279.344 -0.666 20 0 CBADMP Fc1cnc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)nc1 ZINC001234990954 825482269 /nfs/dbraw/zinc/48/22/69/825482269.db2.gz OSFLHXJXOMQJDH-GFCCVEGCSA-N 2 1 251.309 -0.247 20 0 CBADMP NC(=O)c1cccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1 ZINC001234991406 825482775 /nfs/dbraw/zinc/48/27/75/825482775.db2.gz HMXRKVCFONCPLM-HNNXBMFYSA-N 2 1 274.368 -0.077 20 0 CBADMP C[N@H+]1CCC[C@H](CN2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001235056321 825485377 /nfs/dbraw/zinc/48/53/77/825485377.db2.gz XSVJHPYNQCLGHY-UONOGXRCSA-N 2 1 252.406 -0.035 20 0 CBADMP [NH3+]CCCC[N@@H+]1CCNC[C@@]2(CCCC(=O)N2)C1 ZINC001235173701 825486315 /nfs/dbraw/zinc/48/63/15/825486315.db2.gz DJRWKLQDHBBNOM-ZDUSSCGKSA-N 2 1 254.378 -0.331 20 0 CBADMP [NH3+]CCCC[N@H+]1CCNC[C@@]2(CCCC(=O)N2)C1 ZINC001235173701 825486322 /nfs/dbraw/zinc/48/63/22/825486322.db2.gz DJRWKLQDHBBNOM-ZDUSSCGKSA-N 2 1 254.378 -0.331 20 0 CBADMP [NH3+]CCCC[N@H+]1CCCO[C@@]2(CNCCOC2)C1 ZINC001235198256 825488592 /nfs/dbraw/zinc/48/85/92/825488592.db2.gz QQIFNMLTIYWNAT-ZDUSSCGKSA-N 2 1 257.378 -0.194 20 0 CBADMP [NH3+]CCCC[N@@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001235198256 825488594 /nfs/dbraw/zinc/48/85/94/825488594.db2.gz QQIFNMLTIYWNAT-ZDUSSCGKSA-N 3 1 257.378 -0.194 20 0 CBADMP [NH3+]CCCC[N@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001235198256 825488599 /nfs/dbraw/zinc/48/85/99/825488599.db2.gz QQIFNMLTIYWNAT-ZDUSSCGKSA-N 3 1 257.378 -0.194 20 0 CBADMP 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 825495123 /nfs/dbraw/zinc/49/51/23/825495123.db2.gz HDDJXCJCDAYRTH-NGBXAZJTSA-N 2 1 298.383 -0.235 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)CCN1 ZINC001235447660 825496171 /nfs/dbraw/zinc/49/61/71/825496171.db2.gz ZNMASDMSIRFAOU-MXWKQRLJSA-N 2 1 291.342 -0.076 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)CCN1 ZINC001235447660 825496173 /nfs/dbraw/zinc/49/61/73/825496173.db2.gz ZNMASDMSIRFAOU-MXWKQRLJSA-N 2 1 291.342 -0.076 20 0 CBADMP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1CC[NH3+] ZINC001235496156 825498309 /nfs/dbraw/zinc/49/83/09/825498309.db2.gz WDHKJJDTWXFKJJ-GXTWGEPZSA-N 2 1 285.388 -0.327 20 0 CBADMP C[C@H]([NH3+])CN1CCC2(CC1)C(=O)N(C)CC[N@H+]2C ZINC001235538267 825500493 /nfs/dbraw/zinc/50/04/93/825500493.db2.gz RMAOBWTUMPHZLU-NSHDSACASA-N 2 1 254.378 -0.428 20 0 CBADMP C[C@H]([NH3+])CN1CCC2(CC1)C(=O)N(C)CC[N@@H+]2C ZINC001235538267 825500500 /nfs/dbraw/zinc/50/05/00/825500500.db2.gz RMAOBWTUMPHZLU-NSHDSACASA-N 2 1 254.378 -0.428 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(CC[NH3+])CC2)C1 ZINC001235580940 825504503 /nfs/dbraw/zinc/50/45/03/825504503.db2.gz NMXAMMVOZSYCQD-UHFFFAOYSA-N 2 1 298.431 -0.552 20 0 CBADMP C[C@@H]([NH3+])C[N@@H+]1C[C@H]2CN(c3cnn(C)c3)C(=O)[C@H]2C1 ZINC001235622573 825508671 /nfs/dbraw/zinc/50/86/71/825508671.db2.gz BEMUTTJIQNTZRL-SCVCMEIPSA-N 2 1 263.345 -0.338 20 0 CBADMP C[C@@H]([NH3+])C[N@H+]1C[C@H]2CN(c3cnn(C)c3)C(=O)[C@H]2C1 ZINC001235622573 825508674 /nfs/dbraw/zinc/50/86/74/825508674.db2.gz BEMUTTJIQNTZRL-SCVCMEIPSA-N 2 1 263.345 -0.338 20 0 CBADMP CC(=O)N1CCO[C@@]2(C1)COCC[N@@H+](CCCC[NH3+])C2 ZINC001235628812 825508814 /nfs/dbraw/zinc/50/88/14/825508814.db2.gz LJNSTGGWMKOTOA-AWEZNQCLSA-N 2 1 285.388 -0.325 20 0 CBADMP C[C@H]([NH3+])CN1CC[NH+](CCN2CCOCC2)CC1 ZINC001235681321 825511658 /nfs/dbraw/zinc/51/16/58/825511658.db2.gz YADIBEDTVXTQKC-ZDUSSCGKSA-N 2 1 256.394 -0.717 20 0 CBADMP C[C@@H]([NH3+])CN1CC[NH+](CCN2CCOCC2)CC1 ZINC001235681319 825511879 /nfs/dbraw/zinc/51/18/79/825511879.db2.gz YADIBEDTVXTQKC-CYBMUJFWSA-N 2 1 256.394 -0.717 20 0 CBADMP C[C@H]([NH3+])CN1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001235796110 825515259 /nfs/dbraw/zinc/51/52/59/825515259.db2.gz PPDYJIIQRQZJDG-LBPRGKRZSA-N 2 1 268.405 -0.180 20 0 CBADMP C[NH+]1CCN(C(=O)C2CC[NH+](CCO)CC2)CC1 ZINC001235794812 825515949 /nfs/dbraw/zinc/51/59/49/825515949.db2.gz GTHZUAOYDYLTAH-UHFFFAOYSA-N 2 1 255.362 -0.535 20 0 CBADMP CC1(CN2CC[NH2+]CCNCC[NH2+]CC2)CCOCC1 ZINC001235871017 825517173 /nfs/dbraw/zinc/51/71/73/825517173.db2.gz QZLVBEZDCKIWDP-UHFFFAOYSA-N 2 1 284.448 -0.113 20 0 CBADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1CN(CC[NH3+])CC[NH3+] ZINC001235876653 825517760 /nfs/dbraw/zinc/51/77/60/825517760.db2.gz HCVWYFNCQDHKAC-NXEZZACHSA-N 3 1 250.337 -0.303 20 0 CBADMP 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 825518402 /nfs/dbraw/zinc/51/84/02/825518402.db2.gz BPOVALSXBGVQPP-GAURVVSWSA-N 2 1 298.383 -0.235 20 0 CBADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1CN(CC[NH3+])CC[NH3+] ZINC001235876656 825518799 /nfs/dbraw/zinc/51/87/99/825518799.db2.gz HCVWYFNCQDHKAC-ZJUUUORDSA-N 3 1 250.337 -0.303 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@H]3CC[NH2+]3)C[C@H]1C2 ZINC001236021757 825519486 /nfs/dbraw/zinc/51/94/86/825519486.db2.gz IHMFUADDNMUEFT-VVSAWPALSA-N 3 1 279.384 -0.321 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@H]3CC[NH2+]3)C[C@H]1C2 ZINC001236021757 825519493 /nfs/dbraw/zinc/51/94/93/825519493.db2.gz IHMFUADDNMUEFT-VVSAWPALSA-N 3 1 279.384 -0.321 20 0 CBADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235994646 825519854 /nfs/dbraw/zinc/51/98/54/825519854.db2.gz OXKPPULDTCULJM-SLHIUPAKSA-N 2 1 280.328 -0.398 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH3+])CN1CC(C)(C)[NH+]1CCOCC1 ZINC001236197705 825524200 /nfs/dbraw/zinc/52/42/00/825524200.db2.gz SXQXASMVIRXODR-RYUDHWBXSA-N 2 1 285.388 -0.328 20 0 CBADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])CCC1CC[NH2+]CC1 ZINC001236309902 825526715 /nfs/dbraw/zinc/52/67/15/825526715.db2.gz PFTSVVOCCGIDOE-UHFFFAOYSA-N 4 1 299.463 -0.508 20 0 CBADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])CCC1CC[NH2+]CC1 ZINC001236309902 825526724 /nfs/dbraw/zinc/52/67/24/825526724.db2.gz PFTSVVOCCGIDOE-UHFFFAOYSA-N 4 1 299.463 -0.508 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1N ZINC001236344756 825528244 /nfs/dbraw/zinc/52/82/44/825528244.db2.gz SJXMCQMFHLXXBJ-QJPTWQEYSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC001236344756 825528251 /nfs/dbraw/zinc/52/82/51/825528251.db2.gz SJXMCQMFHLXXBJ-QJPTWQEYSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@@H]1CN(CC(C)(C)[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC001236344560 825528414 /nfs/dbraw/zinc/52/84/14/825528414.db2.gz RLPORHOMIBWCDF-NEPJUHHUSA-N 2 1 285.388 -0.471 20 0 CBADMP COC(=O)[C@H]1CN(Cc2[nH]c(C)[nH+]c2C)C[C@H]1[NH3+] ZINC001236363176 825532401 /nfs/dbraw/zinc/53/24/01/825532401.db2.gz ZPSFLMOTOJFNMF-VHSXEESVSA-N 2 1 252.318 -0.041 20 0 CBADMP CCOC(=O)[C@@H]1C[N@@H+](CCCO)CCC12C[NH2+]C2 ZINC001237409211 825534938 /nfs/dbraw/zinc/53/49/38/825534938.db2.gz GMOGWQPOBXGCDD-NSHDSACASA-N 2 1 256.346 -0.157 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NS(=O)(=O)CC[NH3+])[C@H](C)C1 ZINC001238912354 825571094 /nfs/dbraw/zinc/57/10/94/825571094.db2.gz LIGHDRDUGLOLTO-MNOVXSKESA-N 2 1 263.407 -0.017 20 0 CBADMP Cc1cc(N2CCN(S(=O)(=O)CC[NH3+])CC2)nc(C)[nH+]1 ZINC001239085096 825586247 /nfs/dbraw/zinc/58/62/47/825586247.db2.gz ZYZVPMXHKDPLIB-UHFFFAOYSA-N 2 1 299.400 -0.496 20 0 CBADMP CC[C@H]1C[NH2+]CCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239089002 825586934 /nfs/dbraw/zinc/58/69/34/825586934.db2.gz QHDCPCNXSNAQFU-LBPRGKRZSA-N 2 1 275.418 0.000 20 0 CBADMP CCC[N@H+]1C[C@@H]2CN(S(=O)(=O)CC[NH3+])C[C@@H]2C1 ZINC001239133720 825593025 /nfs/dbraw/zinc/59/30/25/825593025.db2.gz SVVUNTOTWFKUPM-PHIMTYICSA-N 2 1 261.391 -0.452 20 0 CBADMP [NH3+]CCS(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001239181872 825596807 /nfs/dbraw/zinc/59/68/07/825596807.db2.gz LNEFWHBVISOLEN-WDEREUQCSA-N 2 1 279.381 -0.217 20 0 CBADMP S=C(NCCC[NH+]1CCOCC1)N[C@@H]1CC12C[NH2+]C2 ZINC001239394516 825601777 /nfs/dbraw/zinc/60/17/77/825601777.db2.gz FINRIATXMSKVIL-LLVKDONJSA-N 2 1 284.429 -0.465 20 0 CBADMP C[C@@H]1CN(C(=S)NCCC[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC001239411737 825602851 /nfs/dbraw/zinc/60/28/51/825602851.db2.gz XZLJSUSXCWQJGM-VXGBXAGGSA-N 2 1 286.445 -0.138 20 0 CBADMP O[C@@H](C[NH2+][C@H]1CCNC[C@@H]1F)CC1(O)CC[NH2+]CC1 ZINC001245973982 825616083 /nfs/dbraw/zinc/61/60/83/825616083.db2.gz LUEBLPSZMYWXAK-WOPDTQHZSA-N 2 1 275.368 -0.859 20 0 CBADMP CCOC(=O)C[C@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245987353 825617495 /nfs/dbraw/zinc/61/74/95/825617495.db2.gz RCWVXBKWNVDQGD-STQMWFEESA-N 2 1 299.415 -0.236 20 0 CBADMP C[C@@H]1CCNC[C@H]1[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245982605 825617534 /nfs/dbraw/zinc/61/75/34/825617534.db2.gz LLBCDZUBMPGAAY-FRRDWIJNSA-N 2 1 271.405 -0.561 20 0 CBADMP [NH3+][C@H]1CCC[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246016727 825621256 /nfs/dbraw/zinc/62/12/56/825621256.db2.gz NGLNTHGHBTXFSP-STQMWFEESA-N 3 1 271.405 -0.335 20 0 CBADMP CCCOC[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246019687 825622023 /nfs/dbraw/zinc/62/20/23/825622023.db2.gz JISKHPKVTOYENB-QWHCGFSZSA-N 2 1 260.378 -0.050 20 0 CBADMP C[C@@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)CC[C@H]1C[NH3+] ZINC001246020280 825622299 /nfs/dbraw/zinc/62/22/99/825622299.db2.gz KJLCRJAMGYCHMK-ILXRZTDVSA-N 2 1 285.432 -0.014 20 0 CBADMP CCOC(=O)C[C@H](O)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246018514 825622766 /nfs/dbraw/zinc/62/27/66/825622766.db2.gz DTMXZXJQZUFVMG-AAEUAGOBSA-N 2 1 274.361 -0.524 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)COc2cccc(F)c2)C[C@@H]1O ZINC001246023989 825623647 /nfs/dbraw/zinc/62/36/47/825623647.db2.gz TWJZAWUQOSKWDD-SUHUHFCYSA-N 2 1 284.331 -0.183 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)COc2cccc(F)c2)C[C@@H]1O ZINC001246023989 825623652 /nfs/dbraw/zinc/62/36/52/825623652.db2.gz TWJZAWUQOSKWDD-SUHUHFCYSA-N 2 1 284.331 -0.183 20 0 CBADMP CCOC(=O)C[C@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246024022 825624058 /nfs/dbraw/zinc/62/40/58/825624058.db2.gz NZZLZMBFAWXLTF-AVGNSLFASA-N 2 1 285.388 -0.674 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)COCc2ccco2)C[C@H]1O ZINC001246024564 825624127 /nfs/dbraw/zinc/62/41/27/825624127.db2.gz UWSAZGKUUQPSKV-GMXVVIOVSA-N 2 1 270.329 -0.592 20 0 CBADMP O[C@@H](CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21)C(F)(F)F ZINC001246024632 825624386 /nfs/dbraw/zinc/62/43/86/825624386.db2.gz PHRJBNDXQZBFSG-GUBZILKMSA-N 2 1 267.295 -0.065 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)COCc2ccccc2)C[C@@H]1O ZINC001246021424 825624445 /nfs/dbraw/zinc/62/44/45/825624445.db2.gz MFUKMBBWRASWEL-KKUMJFAQSA-N 2 1 280.368 -0.185 20 0 CBADMP CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246023828 825624728 /nfs/dbraw/zinc/62/47/28/825624728.db2.gz BNFOTSHBMQLMQZ-LBPRGKRZSA-N 2 1 299.415 -0.284 20 0 CBADMP O[C@H](COCc1ccco1)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246026408 825625457 /nfs/dbraw/zinc/62/54/57/825625457.db2.gz NHILSXXOLCHMGS-DZGCQCFKSA-N 2 1 295.383 -0.206 20 0 CBADMP O[C@H](COCc1ccco1)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246026408 825625460 /nfs/dbraw/zinc/62/54/60/825625460.db2.gz NHILSXXOLCHMGS-DZGCQCFKSA-N 2 1 295.383 -0.206 20 0 CBADMP [NH3+][C@@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)C[C@H]1O ZINC001246025175 825625973 /nfs/dbraw/zinc/62/59/73/825625973.db2.gz SPPWNVJMHSCQNH-RBSFLKMASA-N 2 1 280.368 -0.042 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@H]1O ZINC001246025175 825625977 /nfs/dbraw/zinc/62/59/77/825625977.db2.gz SPPWNVJMHSCQNH-RBSFLKMASA-N 2 1 280.368 -0.042 20 0 CBADMP Cc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246025988 825626011 /nfs/dbraw/zinc/62/60/11/825626011.db2.gz YPAMSXVBWCKPBK-MELADBBJSA-N 2 1 280.368 -0.014 20 0 CBADMP Cc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246025988 825626015 /nfs/dbraw/zinc/62/60/15/825626015.db2.gz YPAMSXVBWCKPBK-MELADBBJSA-N 2 1 280.368 -0.014 20 0 CBADMP CC(C)(C)OC(=O)[C@H](O)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246025952 825626098 /nfs/dbraw/zinc/62/60/98/825626098.db2.gz HKNTUQHMPHIXSR-RISCZKNCSA-N 2 1 285.388 -0.674 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2)C[C@H]1O ZINC001246025955 825626168 /nfs/dbraw/zinc/62/61/68/825626168.db2.gz YMRDKZGNDJIGPB-SGMGOOAPSA-N 2 1 266.341 -0.322 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2)C[C@H]1O ZINC001246025955 825626171 /nfs/dbraw/zinc/62/61/71/825626171.db2.gz YMRDKZGNDJIGPB-SGMGOOAPSA-N 2 1 266.341 -0.322 20 0 CBADMP CC(C)OC[C@@H](O)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246031010 825627625 /nfs/dbraw/zinc/62/76/25/825627625.db2.gz ZPTNZDGZOPQUQQ-STQMWFEESA-N 2 1 257.378 -0.590 20 0 CBADMP CC(C)OC[C@@H](O)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246031010 825627630 /nfs/dbraw/zinc/62/76/30/825627630.db2.gz ZPTNZDGZOPQUQQ-STQMWFEESA-N 2 1 257.378 -0.590 20 0 CBADMP CC(C)(C)OC[C@H](O)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246029583 825628038 /nfs/dbraw/zinc/62/80/38/825628038.db2.gz QHVUWLLSIRLZRU-TZMCWYRMSA-N 2 1 271.405 -0.200 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC[C@H]1F ZINC001246028262 825628075 /nfs/dbraw/zinc/62/80/75/825628075.db2.gz JFKXGOBXFMLTRT-YNEHKIRRSA-N 3 1 289.395 -0.387 20 0 CBADMP N[C@@H]1CC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC[C@H]1F ZINC001246028262 825628079 /nfs/dbraw/zinc/62/80/79/825628079.db2.gz JFKXGOBXFMLTRT-YNEHKIRRSA-N 2 1 289.395 -0.387 20 0 CBADMP N[C@@H]1CC[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC[C@H]1F ZINC001246028262 825628084 /nfs/dbraw/zinc/62/80/84/825628084.db2.gz JFKXGOBXFMLTRT-YNEHKIRRSA-N 2 1 289.395 -0.387 20 0 CBADMP [NH3+][C@@H]1CCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CC[C@H]1F ZINC001246028262 825628088 /nfs/dbraw/zinc/62/80/88/825628088.db2.gz JFKXGOBXFMLTRT-YNEHKIRRSA-N 2 1 289.395 -0.387 20 0 CBADMP CC(C)(C)OC(=O)[C@H](O)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246045827 825628880 /nfs/dbraw/zinc/62/88/80/825628880.db2.gz LEPMVQRCMCDNRD-FBTJUVTCSA-N 2 1 286.372 -0.406 20 0 CBADMP CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246045827 825628884 /nfs/dbraw/zinc/62/88/84/825628884.db2.gz LEPMVQRCMCDNRD-FBTJUVTCSA-N 2 1 286.372 -0.406 20 0 CBADMP CCC[C@@H](O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246059128 825631459 /nfs/dbraw/zinc/63/14/59/825631459.db2.gz YXMGUMGCHWLKKE-CYBMUJFWSA-N 2 1 258.410 -0.768 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@@H]2C)CN1 ZINC001246111964 825635791 /nfs/dbraw/zinc/63/57/91/825635791.db2.gz PSZAAHPPQSATQE-WYUUTHIRSA-N 2 1 255.362 -0.132 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@]13CC[NH2+][C@@H]1CC(=O)N3)C2 ZINC001246155048 825643108 /nfs/dbraw/zinc/64/31/08/825643108.db2.gz WUZNOCNNMXBAIM-OJROKELRSA-N 2 1 264.373 -0.221 20 0 CBADMP CCOC(=O)c1nnc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)o1 ZINC001246189039 825648194 /nfs/dbraw/zinc/64/81/94/825648194.db2.gz LPFWRZAQKWHLIC-SECBINFHSA-N 2 1 295.343 -0.570 20 0 CBADMP COC(=O)[C@@H]1C[C@H](n2cc3c(n2)CC[C@H]([NH3+])C3)C[NH2+]1 ZINC001246237526 825655453 /nfs/dbraw/zinc/65/54/53/825655453.db2.gz PCWLSHZPVPJHEW-NHCYSSNCSA-N 2 1 264.329 -0.225 20 0 CBADMP COC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246247122 825655980 /nfs/dbraw/zinc/65/59/80/825655980.db2.gz WOYZUGRNFMNWDO-MNOVXSKESA-N 2 1 253.346 -0.282 20 0 CBADMP [NH3+]CCOCCOCCOCC[NH2+][C@H]1CCCNC1 ZINC001246284206 825659365 /nfs/dbraw/zinc/65/93/65/825659365.db2.gz HDCMLXKPMRKDSA-ZDUSSCGKSA-N 2 1 275.393 -0.664 20 0 CBADMP COC(=O)C1C[C@@H]2CC(N[C@@H]3C[NH2+]CCC3=O)C[C@H](C1)[NH2+]2 ZINC001246291656 825660755 /nfs/dbraw/zinc/66/07/55/825660755.db2.gz NCMKNTYFWUWZRW-APSDNXJZSA-N 2 1 295.383 -0.421 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](n2[nH]c(=O)c(CC[NH3+])c2C)C[NH2+]1 ZINC001246289417 825660838 /nfs/dbraw/zinc/66/08/38/825660838.db2.gz KMYZJAGRDWZXES-SCZZXKLOSA-N 2 1 268.317 -0.526 20 0 CBADMP [NH3+]CCOCCOCCOCCNC1CC[NH2+]CC1 ZINC001246290180 825661055 /nfs/dbraw/zinc/66/10/55/825661055.db2.gz QDVWAEMZZMUAES-UHFFFAOYSA-N 2 1 275.393 -0.664 20 0 CBADMP [NH3+]CCOCCOCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246286701 825661235 /nfs/dbraw/zinc/66/12/35/825661235.db2.gz ZODIOHYXGMDHMP-FUNVUKJBSA-N 2 1 257.378 -0.149 20 0 CBADMP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC001246299174 825661691 /nfs/dbraw/zinc/66/16/91/825661691.db2.gz JZGJJJZMWBZGDB-JQWIXIFHSA-N 2 1 256.346 -0.158 20 0 CBADMP CCOC(=O)N1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246299203 825661740 /nfs/dbraw/zinc/66/17/40/825661740.db2.gz KIBKVTQPYKSVPP-CMPLNLGQSA-N 2 1 271.361 -0.223 20 0 CBADMP CCOC(=O)N1CCC([NH2+][C@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246299207 825662467 /nfs/dbraw/zinc/66/24/67/825662467.db2.gz KIBKVTQPYKSVPP-PWSUYJOCSA-N 2 1 271.361 -0.223 20 0 CBADMP OC[C@H]1C[NH2+]C[C@H]1[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246300506 825662606 /nfs/dbraw/zinc/66/26/06/825662606.db2.gz RXSMIKNGWODAQI-NELGMTEASA-N 3 1 269.389 -0.543 20 0 CBADMP COC(=O)N1CCC([NH2+][C@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246306059 825663408 /nfs/dbraw/zinc/66/34/08/825663408.db2.gz KHPQGQXUKXRSMX-ONGXEEELSA-N 2 1 257.334 -0.613 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246362901 825669466 /nfs/dbraw/zinc/66/94/66/825669466.db2.gz RIROMMBQOLHQHR-BYNQJWBRSA-N 2 1 297.399 -0.139 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246362901 825669470 /nfs/dbraw/zinc/66/94/70/825669470.db2.gz RIROMMBQOLHQHR-BYNQJWBRSA-N 2 1 297.399 -0.139 20 0 CBADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246400146 825669936 /nfs/dbraw/zinc/66/99/36/825669936.db2.gz DEHMNXCDLLEJJZ-USZNOCQGSA-N 3 1 255.362 -0.146 20 0 CBADMP COC(=O)[C@H](CCC[NH3+])[NH2+]C1CCN(C(C)=O)CC1 ZINC001246400669 825670812 /nfs/dbraw/zinc/67/08/12/825670812.db2.gz HEVSDDXAASFTQR-LBPRGKRZSA-N 2 1 271.361 -0.133 20 0 CBADMP COCCC1([NH2+][C@@H]2CN[C@H](C(=O)OC)C2)CC[NH2+]CC1 ZINC001246389129 825670823 /nfs/dbraw/zinc/67/08/23/825670823.db2.gz IOYFOHVJNRIJHF-RYUDHWBXSA-N 2 1 285.388 -0.362 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CC(C)(C)O2)CN1 ZINC001246413813 825672041 /nfs/dbraw/zinc/67/20/41/825672041.db2.gz QWRINJBJOSRPOI-TUAOUCFPSA-N 2 1 285.388 -0.363 20 0 CBADMP CCOC(=O)[C@H](N)C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001246415592 825673184 /nfs/dbraw/zinc/67/31/84/825673184.db2.gz GGVQNSNAJQLMTM-CYBMUJFWSA-N 2 1 287.404 -0.033 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])CN1 ZINC001246457670 825674834 /nfs/dbraw/zinc/67/48/34/825674834.db2.gz PZEQDDVORWNOCT-NEPJUHHUSA-N 3 1 272.393 -0.802 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC23CC3)CN1 ZINC001246473771 825676059 /nfs/dbraw/zinc/67/60/59/825676059.db2.gz NIGCFPOOQYCPRN-DCAQKATOSA-N 2 1 253.346 -0.378 20 0 CBADMP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1CCN(C2COC2)CC1 ZINC001246470833 825676248 /nfs/dbraw/zinc/67/62/48/825676248.db2.gz RRPRDNCIVATVKA-CQSZACIVSA-N 2 1 294.443 -0.219 20 0 CBADMP CC(C)[C@H](NC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(N)=O ZINC001246480212 825676503 /nfs/dbraw/zinc/67/65/03/825676503.db2.gz CYUNVXQQLNJQPP-UVYIHGJDSA-N 2 1 296.415 -0.126 20 0 CBADMP C([NH2+]C1CCC2(CC1)C[NH2+]CCO2)[C@H]1C[NH2+]CCN1 ZINC001246486722 825677050 /nfs/dbraw/zinc/67/70/50/825677050.db2.gz FBCTXMHHVRYHMB-ROKHWSDSSA-N 3 1 268.405 -0.561 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2C[NH2+]CC[C@H]2F)C[NH2+]1 ZINC001246491552 825677247 /nfs/dbraw/zinc/67/72/47/825677247.db2.gz SYOLDLIJMIOLOS-SBFPOUOMSA-N 2 1 273.352 -0.040 20 0 CBADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]CCN2)CCN1 ZINC001246493691 825677598 /nfs/dbraw/zinc/67/75/98/825677598.db2.gz ZGAFTHRCQKWFJM-AEJSXWLSSA-N 2 1 266.311 -0.180 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246513609 825678619 /nfs/dbraw/zinc/67/86/19/825678619.db2.gz SWFGUJRMHXVCIL-HNGCFSAESA-N 3 1 266.389 -0.121 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](n2cc[nH+]c2CCC[NH3+])CN1 ZINC001246522486 825679455 /nfs/dbraw/zinc/67/94/55/825679455.db2.gz CWDJYRXEFXGBSG-ZJUUUORDSA-N 2 1 252.318 -0.150 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246521160 825680267 /nfs/dbraw/zinc/68/02/67/825680267.db2.gz WVFPQIRUSNQFOO-WDEREUQCSA-N 2 1 252.362 -0.722 20 0 CBADMP C[N@@H+](CCN1CCOCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246528329 825681464 /nfs/dbraw/zinc/68/14/64/825681464.db2.gz WTZLODGOERMZNF-ZDUSSCGKSA-N 2 1 268.405 -0.656 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])[C@H]2CCNC3(C[NH2+]C3)C2)[nH]n1 ZINC001246532562 825681954 /nfs/dbraw/zinc/68/19/54/825681954.db2.gz RRMWUIZNOFAFSI-VIFPVBQESA-N 2 1 263.349 -0.488 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])[C@H]2CC[NH2+]C3(CNC3)C2)n[nH]1 ZINC001246532562 825681956 /nfs/dbraw/zinc/68/19/56/825681956.db2.gz RRMWUIZNOFAFSI-VIFPVBQESA-N 2 1 263.349 -0.488 20 0 CBADMP [NH3+]CC[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246528591 825681989 /nfs/dbraw/zinc/68/19/89/825681989.db2.gz AJNOMPVVCHAYPY-RYUDHWBXSA-N 3 1 254.378 -0.870 20 0 CBADMP CC(=O)N1CC[C@@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)C1 ZINC001246546078 825682477 /nfs/dbraw/zinc/68/24/77/825682477.db2.gz YCMVKOADZUHVRC-OLZOCXBDSA-N 2 1 255.362 -0.217 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CCN1 ZINC001246541927 825682488 /nfs/dbraw/zinc/68/24/88/825682488.db2.gz HTDUVPMAFHLNBV-IPYPFGDCSA-N 2 1 299.415 -0.154 20 0 CBADMP CC(=O)N1CC[C@@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)C1 ZINC001246546070 825683191 /nfs/dbraw/zinc/68/31/91/825683191.db2.gz YCMVKOADZUHVRC-CHWSQXEVSA-N 2 1 255.362 -0.217 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)CCN1 ZINC001246544376 825683546 /nfs/dbraw/zinc/68/35/46/825683546.db2.gz RESXEMLZLZOVRB-SGMGOOAPSA-N 2 1 285.388 -0.544 20 0 CBADMP [NH3+]C[C@@]1(O)CCCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246557442 825683984 /nfs/dbraw/zinc/68/39/84/825683984.db2.gz INEBBMLQPDSPFG-JSGCOSHPSA-N 3 1 268.405 -0.744 20 0 CBADMP NC[C@@]1(O)CCCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246557442 825683989 /nfs/dbraw/zinc/68/39/89/825683989.db2.gz INEBBMLQPDSPFG-JSGCOSHPSA-N 2 1 268.405 -0.744 20 0 CBADMP NC[C@@]1(O)CCCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246557442 825683991 /nfs/dbraw/zinc/68/39/91/825683991.db2.gz INEBBMLQPDSPFG-JSGCOSHPSA-N 2 1 268.405 -0.744 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@H](C)CC[C@@H]2C[NH3+])C[NH2+]1 ZINC001246555282 825684173 /nfs/dbraw/zinc/68/41/73/825684173.db2.gz GFHFOVLZQQLLJI-WYUUTHIRSA-N 2 1 255.362 -0.051 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N2C[C@@H](C)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246566635 825685651 /nfs/dbraw/zinc/68/56/51/825685651.db2.gz HWTKVQNDZNKCCL-PRULPYPASA-N 2 1 255.362 -0.051 20 0 CBADMP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CO1 ZINC001246563286 825685824 /nfs/dbraw/zinc/68/58/24/825685824.db2.gz CSEFRCBIYUWLTJ-IRCOFANPSA-N 2 1 272.345 -0.509 20 0 CBADMP CCOC(=O)[C@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CO1 ZINC001246563286 825685829 /nfs/dbraw/zinc/68/58/29/825685829.db2.gz CSEFRCBIYUWLTJ-IRCOFANPSA-N 2 1 272.345 -0.509 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246565824 825686554 /nfs/dbraw/zinc/68/65/54/825686554.db2.gz ZSTKCJZFXLNEGP-GUBZILKMSA-N 2 1 277.315 -0.194 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2C[C@@H]([NH3+])CC(F)(F)C2)C[NH2+]1 ZINC001246576183 825688514 /nfs/dbraw/zinc/68/85/14/825688514.db2.gz RHZHAIHZEHYCNZ-XHNCKOQMSA-N 2 1 263.288 -0.442 20 0 CBADMP CCOC(=O)CN1CCC([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246579326 825688837 /nfs/dbraw/zinc/68/88/37/825688837.db2.gz IINSDDATVPFERH-AAEUAGOBSA-N 2 1 285.388 -0.735 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)C[C@H]1O ZINC001246579330 825689179 /nfs/dbraw/zinc/68/91/79/825689179.db2.gz ILHKFOFJUJUYTE-IRCOFANPSA-N 2 1 253.346 -0.609 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CO1 ZINC001246578848 825689219 /nfs/dbraw/zinc/68/92/19/825689219.db2.gz CXHJAUFOCWLSNP-BJDJZHNGSA-N 2 1 272.345 -0.652 20 0 CBADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246578117 825689294 /nfs/dbraw/zinc/68/92/94/825689294.db2.gz FXGPQPKVVPCEOM-WRWGMCAJSA-N 2 1 256.346 -0.030 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2C[C@@H]([NH3+])CC(F)(F)C2)C[NH2+]1 ZINC001246576184 825689318 /nfs/dbraw/zinc/68/93/18/825689318.db2.gz RHZHAIHZEHYCNZ-YIZRAAEISA-N 2 1 263.288 -0.442 20 0 CBADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246579614 825689363 /nfs/dbraw/zinc/68/93/63/825689363.db2.gz FXGPQPKVVPCEOM-KXNHARMFSA-N 2 1 256.346 -0.030 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C2CCC3(CC2)OCCO3)C[C@@H]1O ZINC001246578095 825689377 /nfs/dbraw/zinc/68/93/77/825689377.db2.gz FVXPPBXWSCDZEA-JQWIXIFHSA-N 2 1 256.346 -0.077 20 0 CBADMP COC(=O)[C@H]1CCC[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246578111 825689417 /nfs/dbraw/zinc/68/94/17/825689417.db2.gz FXGPQPKVVPCEOM-FIQHERPVSA-N 2 1 256.346 -0.030 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CO1 ZINC001246578856 825689423 /nfs/dbraw/zinc/68/94/23/825689423.db2.gz CXHJAUFOCWLSNP-USZNOCQGSA-N 2 1 272.345 -0.652 20 0 CBADMP O[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1F ZINC001246575900 825689495 /nfs/dbraw/zinc/68/94/95/825689495.db2.gz LOTIRDCEFSEJBV-GRYCIOLGSA-N 2 1 257.353 -0.125 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCN(C3CC3)C(=O)C2)C[C@H]1O ZINC001246578009 825689549 /nfs/dbraw/zinc/68/95/49/825689549.db2.gz DJGUMKBAACKLMI-ZMLRMANQSA-N 2 1 253.346 -0.609 20 0 CBADMP CCOC(=O)N1CCC([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246578697 825689585 /nfs/dbraw/zinc/68/95/85/825689585.db2.gz HNDNMDKFXKBSBW-JQWIXIFHSA-N 2 1 271.361 -0.141 20 0 CBADMP CCOC(=O)N1CC[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246576123 825689678 /nfs/dbraw/zinc/68/96/78/825689678.db2.gz FCRNSLTVLNDPEE-GARJFASQSA-N 2 1 257.334 -0.531 20 0 CBADMP CCOC(=O)N1CC[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246576123 825689680 /nfs/dbraw/zinc/68/96/80/825689680.db2.gz FCRNSLTVLNDPEE-GARJFASQSA-N 2 1 257.334 -0.531 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCO[C@H](C[NH+](C)C)C2)C[NH2+]1 ZINC001246587652 825690462 /nfs/dbraw/zinc/69/04/62/825690462.db2.gz SYRNKKZNZZKGDP-TUAOUCFPSA-N 2 1 271.361 -0.848 20 0 CBADMP CCOC(=O)N1CCC([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246582536 825691408 /nfs/dbraw/zinc/69/14/08/825691408.db2.gz HNDNMDKFXKBSBW-CMPLNLGQSA-N 2 1 271.361 -0.141 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCO[C@@H](C[NH+](C)C)C2)C[NH2+]1 ZINC001246587647 825691435 /nfs/dbraw/zinc/69/14/35/825691435.db2.gz SYRNKKZNZZKGDP-SRVKXCTJSA-N 2 1 271.361 -0.848 20 0 CBADMP CCOC(=O)C1=C(O)CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246590793 825691830 /nfs/dbraw/zinc/69/18/30/825691830.db2.gz AGMRMPVFEJKYDV-NEPJUHHUSA-N 2 1 295.383 -0.466 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@H](N2CC(C)(C[NH3+])C2)C[NH2+]1 ZINC001246591045 825693101 /nfs/dbraw/zinc/69/31/01/825693101.db2.gz VFQGLFFQKAXUPS-GWCFXTLKSA-N 2 1 255.362 -0.049 20 0 CBADMP C1C[C@@]2(CCC[NH2+]C2)[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599431 825693790 /nfs/dbraw/zinc/69/37/90/825693790.db2.gz CQPJYYDACLGGIC-TZMCWYRMSA-N 3 1 250.390 -0.092 20 0 CBADMP C1C[C@@]2(CCC[NH2+]C2)[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599431 825693795 /nfs/dbraw/zinc/69/37/95/825693795.db2.gz CQPJYYDACLGGIC-TZMCWYRMSA-N 3 1 250.390 -0.092 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH+]2CCC3(CC2)C[NH2+]CCO3)CN1 ZINC001246603234 825693855 /nfs/dbraw/zinc/69/38/55/825693855.db2.gz NGDZOTFXOZTKSJ-RYUDHWBXSA-N 2 1 283.372 -0.656 20 0 CBADMP CC(C)(C)[N@@H+](C[C@@H](O)CO)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246606009 825694026 /nfs/dbraw/zinc/69/40/26/825694026.db2.gz SKBYKXNSECBWEE-VXGBXAGGSA-N 2 1 271.405 -0.466 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCNC3(CC[NH2+]CC3)C1)CS2 ZINC001246600394 825694077 /nfs/dbraw/zinc/69/40/77/825694077.db2.gz GGAIJXQDZKKZDQ-LBPRGKRZSA-N 3 1 282.457 -0.139 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246600336 825694207 /nfs/dbraw/zinc/69/42/07/825694207.db2.gz GCSHMTXYVPFNAW-STQMWFEESA-N 2 1 296.415 -0.693 20 0 CBADMP CCOC(=O)[C@@]12C[N@H+]([C@@H]3CNC(=O)C3)C[C@@H]1C[NH2+]CCC2 ZINC001246599937 825694595 /nfs/dbraw/zinc/69/45/95/825694595.db2.gz CFUFJGLRJFDJQT-HUBLWGQQSA-N 2 1 295.383 -0.260 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCO[C@@]3(CCOC3)C1)CCN2 ZINC001246612616 825695633 /nfs/dbraw/zinc/69/56/33/825695633.db2.gz BFIPDTZMBPSCSJ-JSGCOSHPSA-N 2 1 267.373 -0.428 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246609578 825695833 /nfs/dbraw/zinc/69/58/33/825695833.db2.gz ZPCOFGOHDXABRH-QWRGUYRKSA-N 2 1 253.346 -0.425 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCO[C@@]3(CCC[NH2+]C3)C2)C[NH2+]1 ZINC001246625446 825696831 /nfs/dbraw/zinc/69/68/31/825696831.db2.gz VTQHLPNVZVOUNY-MBNYWOFBSA-N 2 1 283.372 -0.656 20 0 CBADMP COC(=O)[C@H]1C[C@@H](N2CCC(F)(C[NH3+])CC2)C[NH2+]1 ZINC001246624826 825696845 /nfs/dbraw/zinc/69/68/45/825696845.db2.gz FVECJWMRYVFPHD-NXEZZACHSA-N 2 1 259.325 -0.347 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)CN1 ZINC001246624826 825696850 /nfs/dbraw/zinc/69/68/50/825696850.db2.gz FVECJWMRYVFPHD-NXEZZACHSA-N 2 1 259.325 -0.347 20 0 CBADMP C1C[C@@]2(C[NH2+]1)C[NH2+]CCN2C1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246624398 825696930 /nfs/dbraw/zinc/69/69/30/825696930.db2.gz MZFHZKMQFZJRHK-QNMSZWNNSA-N 3 1 266.389 -0.857 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1 ZINC001246623563 825697261 /nfs/dbraw/zinc/69/72/61/825697261.db2.gz AKGZSALFGSGWLA-RNJOBUHISA-N 2 1 267.373 -0.179 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246629692 825697738 /nfs/dbraw/zinc/69/77/38/825697738.db2.gz HHPOZHQIEWBHLZ-STQMWFEESA-N 3 1 250.390 -0.234 20 0 CBADMP CC(=O)N1CCC[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001246630962 825697962 /nfs/dbraw/zinc/69/79/62/825697962.db2.gz QFLYMXVYRFRSHL-KGLIPLIRSA-N 2 1 266.389 -0.365 20 0 CBADMP CC(=O)N1CCC[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001246630964 825698041 /nfs/dbraw/zinc/69/80/41/825698041.db2.gz QFLYMXVYRFRSHL-UONOGXRCSA-N 2 1 266.389 -0.365 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCO[C@@H]3C[NH2+]C[C@@H]3C1)CCN2 ZINC001246628472 825698112 /nfs/dbraw/zinc/69/81/12/825698112.db2.gz ZPENWZVUUCKPQS-JHJVBQTASA-N 3 1 266.389 -0.999 20 0 CBADMP C1[NH2+]CC12C[C@H](N1CCO[C@@H]3C[NH2+]C[C@@H]3C1)CCN2 ZINC001246628472 825698116 /nfs/dbraw/zinc/69/81/16/825698116.db2.gz ZPENWZVUUCKPQS-JHJVBQTASA-N 2 1 266.389 -0.999 20 0 CBADMP C1C[C@@]2(C[NH2+]1)C[NH2+]CCN2[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246625860 825698141 /nfs/dbraw/zinc/69/81/41/825698141.db2.gz QFELOTOAVPKQLW-XJFOESAGSA-N 3 1 250.390 -0.093 20 0 CBADMP CCOC(=O)[C@@H]1C[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)CCN1 ZINC001246625920 825698266 /nfs/dbraw/zinc/69/82/66/825698266.db2.gz QFURERXKBVZNKX-KCQAQPDRSA-N 2 1 296.415 -0.693 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CN1 ZINC001246636128 825699496 /nfs/dbraw/zinc/69/94/96/825699496.db2.gz CRRIUCSPQUOBEG-RYUDHWBXSA-N 2 1 267.373 -0.035 20 0 CBADMP CC(=O)N1CC[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001246632899 825699570 /nfs/dbraw/zinc/69/95/70/825699570.db2.gz XMXZVDSUEMAAEQ-QWHCGFSZSA-N 2 1 252.362 -0.756 20 0 CBADMP c1nnn([C@@H]2CCC[C@@H](N3CC[NH2+]C[C@]34CC[NH2+]C4)C2)n1 ZINC001246632676 825699590 /nfs/dbraw/zinc/69/95/90/825699590.db2.gz WLPXAFZOXOXIFC-MGPQQGTHSA-N 2 1 291.403 -0.206 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2CCN[C@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246633879 825699668 /nfs/dbraw/zinc/69/96/68/825699668.db2.gz FXQZZIUFFRYIHX-AEGPPILISA-N 2 1 296.415 -0.693 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246641991 825700375 /nfs/dbraw/zinc/70/03/75/825700375.db2.gz KMDFFRVMKKEEQP-DYEKYZERSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246641991 825700382 /nfs/dbraw/zinc/70/03/82/825700382.db2.gz KMDFFRVMKKEEQP-DYEKYZERSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)CC[C@@H](C)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246645068 825700584 /nfs/dbraw/zinc/70/05/84/825700584.db2.gz SRZYQNJCKQNZPY-DGCLKSJQSA-N 2 1 255.362 -0.035 20 0 CBADMP COC(=O)CC[C@@H](C)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246645068 825700590 /nfs/dbraw/zinc/70/05/90/825700590.db2.gz SRZYQNJCKQNZPY-DGCLKSJQSA-N 2 1 255.362 -0.035 20 0 CBADMP C1C[C@@]2(C[NH2+]1)C[N@H+]([C@H]1C[C@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246641205 825701113 /nfs/dbraw/zinc/70/11/13/825701113.db2.gz HWQCZUWBNUXQAC-XJFOESAGSA-N 3 1 250.390 -0.378 20 0 CBADMP CCN1CC[C@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1=O ZINC001246642034 825701339 /nfs/dbraw/zinc/70/13/39/825701339.db2.gz LCVOYXUAKVNUCP-JSGCOSHPSA-N 2 1 266.389 -0.365 20 0 CBADMP O=C1C[C@@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC001246643753 825701404 /nfs/dbraw/zinc/70/14/04/825701404.db2.gz PWZUYFDHHJSMMB-ZFWWWQNUSA-N 2 1 278.400 -0.223 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCC[C@]3(CNCCO3)C1)CCN2 ZINC001246645118 825702695 /nfs/dbraw/zinc/70/26/95/825702695.db2.gz BCJBQUJMCVRFJS-ZFWWWQNUSA-N 2 1 280.416 -0.465 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@@H+]1CCC[C@@]13CC[NH2+]C3)CCN2 ZINC001246651694 825702926 /nfs/dbraw/zinc/70/29/26/825702926.db2.gz YJVJGIMBZYJZLT-OCCSQVGLSA-N 3 1 250.390 -0.092 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCC[C@@]13CC[NH2+]C3)CCN2 ZINC001246651694 825702927 /nfs/dbraw/zinc/70/29/27/825702927.db2.gz YJVJGIMBZYJZLT-OCCSQVGLSA-N 3 1 250.390 -0.092 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC[C@]23CC[NH2+]C3)C[NH2+]1 ZINC001246645704 825702967 /nfs/dbraw/zinc/70/29/67/825702967.db2.gz CYYQDRZLZPOHSP-NTZNESFSSA-N 2 1 253.346 -0.282 20 0 CBADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246660632 825703539 /nfs/dbraw/zinc/70/35/39/825703539.db2.gz FBFGCMQOGUKGDS-MBNYWOFBSA-N 3 1 250.390 -0.106 20 0 CBADMP N[C@@]12CCC[C@@H]1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246660632 825703547 /nfs/dbraw/zinc/70/35/47/825703547.db2.gz FBFGCMQOGUKGDS-MBNYWOFBSA-N 2 1 250.390 -0.106 20 0 CBADMP N[C@@]12CCC[C@@H]1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246660632 825703553 /nfs/dbraw/zinc/70/35/53/825703553.db2.gz FBFGCMQOGUKGDS-MBNYWOFBSA-N 2 1 250.390 -0.106 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])CN1 ZINC001246658567 825703420 /nfs/dbraw/zinc/70/34/20/825703420.db2.gz KZSSXSAOIDUTRH-HTFCKZLJSA-N 2 1 253.346 -0.299 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@H]3[NH2+]CC[C@H]3C2)C[NH2+]1 ZINC001246660847 825703949 /nfs/dbraw/zinc/70/39/49/825703949.db2.gz PHHNUQBLIDNCNR-YFKTTZPYSA-N 2 1 253.346 -0.426 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@H](N2CC[NH2+]C[C@@H]2C)C[NH2+]1 ZINC001246671009 825705096 /nfs/dbraw/zinc/70/50/96/825705096.db2.gz FISSJFYADDDUMR-GVXVVHGQSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CN1 ZINC001246666369 825705291 /nfs/dbraw/zinc/70/52/91/825705291.db2.gz JDWQOBUEAHEVPA-NDBYEHHHSA-N 2 1 267.373 -0.179 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CN1 ZINC001246666369 825705295 /nfs/dbraw/zinc/70/52/95/825705295.db2.gz JDWQOBUEAHEVPA-NDBYEHHHSA-N 2 1 267.373 -0.179 20 0 CBADMP O=C1NCC[C@@]12CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246668832 825705595 /nfs/dbraw/zinc/70/55/95/825705595.db2.gz OPPYHGQGKGOOFB-YPMHNXCESA-N 2 1 264.373 -0.708 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CN1 ZINC001246682386 825706209 /nfs/dbraw/zinc/70/62/09/825706209.db2.gz CEOOVTFMROIYCJ-DKBOKBLXSA-N 2 1 295.383 -0.657 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C3C[NH2+]C3)C2)CN1 ZINC001246680249 825706362 /nfs/dbraw/zinc/70/63/62/825706362.db2.gz SQLGFHXCZYPIIZ-JLLWLGSASA-N 2 1 253.346 -0.569 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC001246691620 825706404 /nfs/dbraw/zinc/70/64/04/825706404.db2.gz FTQCOQBBXMSSFR-MBYGNEARSA-N 2 1 253.346 -0.284 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC001246691620 825706406 /nfs/dbraw/zinc/70/64/06/825706406.db2.gz FTQCOQBBXMSSFR-MBYGNEARSA-N 2 1 253.346 -0.284 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CN1 ZINC001246682390 825706647 /nfs/dbraw/zinc/70/66/47/825706647.db2.gz CEOOVTFMROIYCJ-IHWVXMPCSA-N 2 1 295.383 -0.657 20 0 CBADMP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246710734 825707420 /nfs/dbraw/zinc/70/74/20/825707420.db2.gz PYMXLTXUPYFBKX-YRGRVCCFSA-N 2 1 267.373 -0.035 20 0 CBADMP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246710734 825707426 /nfs/dbraw/zinc/70/74/26/825707426.db2.gz PYMXLTXUPYFBKX-YRGRVCCFSA-N 2 1 267.373 -0.035 20 0 CBADMP OCc1ncn2c1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246715260 825708185 /nfs/dbraw/zinc/70/81/85/825708185.db2.gz OXSDFIKDASFRIW-NSHDSACASA-N 2 1 277.372 -0.715 20 0 CBADMP OCc1ncn2c1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246715260 825708189 /nfs/dbraw/zinc/70/81/89/825708189.db2.gz OXSDFIKDASFRIW-NSHDSACASA-N 2 1 277.372 -0.715 20 0 CBADMP 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 825709089 /nfs/dbraw/zinc/70/90/89/825709089.db2.gz SJMBBGWLVAXEET-IGQOVBAYSA-N 2 1 292.427 -0.217 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1CC[N@H+]3CCC[C@H]3C1)CCN2 ZINC001246776659 825709921 /nfs/dbraw/zinc/70/99/21/825709921.db2.gz LMHTUGAGZHJXIF-STQMWFEESA-N 2 1 250.390 -0.140 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N(CC[NH+](C)C)CC[NH+](C)C)C[NH2+]1 ZINC001246783171 825710200 /nfs/dbraw/zinc/71/02/00/825710200.db2.gz NUABCYATIZDBEM-OLZOCXBDSA-N 3 1 286.420 -0.685 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1CC[N@H+]3CCC[C@@H]3C1)CCN2 ZINC001246776654 825710738 /nfs/dbraw/zinc/71/07/38/825710738.db2.gz LMHTUGAGZHJXIF-QWHCGFSZSA-N 2 1 250.390 -0.140 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC[C@H]([NH+](C)C)C2)C[NH2+]1 ZINC001246776434 825710742 /nfs/dbraw/zinc/71/07/42/825710742.db2.gz NGEVKRNGTFIZBA-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](C[NH3+])C2)CN1 ZINC001246779693 825710808 /nfs/dbraw/zinc/71/08/08/825710808.db2.gz IOJSCPRYMSYADB-TUAOUCFPSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC[C@H]2C[NH+](C)C)C[NH2+]1 ZINC001246795850 825711231 /nfs/dbraw/zinc/71/12/31/825711231.db2.gz HMAYVVKTJPFVKC-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@@H](N3CCOCC3)C1)CCN2 ZINC001246795832 825711577 /nfs/dbraw/zinc/71/15/77/825711577.db2.gz KKEJWKWFVZASBK-UONOGXRCSA-N 2 1 280.416 -0.513 20 0 CBADMP CN1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCC1=O ZINC001246794140 825711674 /nfs/dbraw/zinc/71/16/74/825711674.db2.gz GDQILFNJGNDTIG-NSHDSACASA-N 2 1 252.362 -0.756 20 0 CBADMP c1ncc2c(n1)CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246797282 825711747 /nfs/dbraw/zinc/71/17/47/825711747.db2.gz NQGAGHDKDBNDHG-LBPRGKRZSA-N 2 1 259.357 -0.071 20 0 CBADMP COCCCN([C@@H]1C[NH2+][C@H](C(=O)OC)C1)[C@@H]1CCC[NH2+]C1 ZINC001246806310 825713665 /nfs/dbraw/zinc/71/36/65/825713665.db2.gz HPBFSNSSSLPWIH-RDBSUJKOSA-N 2 1 299.415 -0.020 20 0 CBADMP CCOC(=O)[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246817317 825715232 /nfs/dbraw/zinc/71/52/32/825715232.db2.gz RDFLQHQBVCYUAW-VXGBXAGGSA-N 2 1 267.373 -0.035 20 0 CBADMP O=c1[nH]c(=O)c2c([nH]1)CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246818443 825715091 /nfs/dbraw/zinc/71/50/91/825715091.db2.gz CYBPGFANGFEMDX-SECBINFHSA-N 2 1 291.355 -0.660 20 0 CBADMP CCOC(=O)[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246814167 825715266 /nfs/dbraw/zinc/71/52/66/825715266.db2.gz ODHDAIDJBXHFBR-NWDGAFQWSA-N 2 1 283.372 -0.656 20 0 CBADMP C[N@H+](C1CN([C@@H]2CCNC3(C[NH2+]C3)C2)C1)[C@@H]1CCOC1 ZINC001246820806 825716548 /nfs/dbraw/zinc/71/65/48/825716548.db2.gz QITMQBFVSDUILR-CHWSQXEVSA-N 2 1 280.416 -0.515 20 0 CBADMP C[N@@H+](C1CN([C@@H]2CCNC3(C[NH2+]C3)C2)C1)[C@@H]1CCOC1 ZINC001246820806 825716553 /nfs/dbraw/zinc/71/65/53/825716553.db2.gz QITMQBFVSDUILR-CHWSQXEVSA-N 2 1 280.416 -0.515 20 0 CBADMP C[NH+](C)C1CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246819051 825716763 /nfs/dbraw/zinc/71/67/63/825716763.db2.gz FNWSUXXKBSTHDY-UHFFFAOYSA-N 3 1 297.491 -0.056 20 0 CBADMP C1[NH2+]C[C@H]2C[C@H](N3CC[NH2+]CCNCC[NH2+]CC3)C[C@@H]12 ZINC001246824532 825718135 /nfs/dbraw/zinc/71/81/35/825718135.db2.gz YQVOZGTYUDSVNO-FICVDOATSA-N 3 1 281.448 -0.931 20 0 CBADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N(CC[NH3+])CC[NH3+])C[NH2+]1 ZINC001246833138 825718609 /nfs/dbraw/zinc/71/86/09/825718609.db2.gz RVCFXSQXBNDHDV-QWRGUYRKSA-N 3 1 272.393 -0.722 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC3(C2)CCCC[NH2+]3)C[NH2+]1 ZINC001246831824 825719045 /nfs/dbraw/zinc/71/90/45/825719045.db2.gz FYYGWCALWNEOEZ-MNOVXSKESA-N 2 1 253.346 -0.282 20 0 CBADMP CC[N@@H+](CCN1CCOCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246848271 825719987 /nfs/dbraw/zinc/71/99/87/825719987.db2.gz NNRNBOVCXHJBHM-CQSZACIVSA-N 2 1 282.432 -0.266 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)CN1 ZINC001246849101 825720575 /nfs/dbraw/zinc/72/05/75/825720575.db2.gz YAXVGWUJLZPNTB-CYDGBPFRSA-N 2 1 267.373 -0.179 20 0 CBADMP CN1CC[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246840777 825720759 /nfs/dbraw/zinc/72/07/59/825720759.db2.gz KMGVVVWVKSCKQS-RWMBFGLXSA-N 2 1 250.390 -0.284 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](C)CCN2CC[NH+](C)CC2)CN1 ZINC001246847719 825721368 /nfs/dbraw/zinc/72/13/68/825721368.db2.gz LXCJAAFETQAAFK-KGLIPLIRSA-N 2 1 298.431 -0.541 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CCN1 ZINC001246858334 825722047 /nfs/dbraw/zinc/72/20/47/825722047.db2.gz FFGJXCLRZCUIPB-UCEQBCCISA-N 2 1 283.372 -0.815 20 0 CBADMP C[C@H]1C(=O)N(C)CC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246855388 825723121 /nfs/dbraw/zinc/72/31/21/825723121.db2.gz XOPRVNYKLGRNKW-QWRGUYRKSA-N 2 1 252.362 -0.757 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246863921 825723690 /nfs/dbraw/zinc/72/36/90/825723690.db2.gz ZJPXHEXJQOUYMQ-KIFYNCCSSA-N 2 1 297.399 -0.471 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246863921 825723693 /nfs/dbraw/zinc/72/36/93/825723693.db2.gz ZJPXHEXJQOUYMQ-KIFYNCCSSA-N 2 1 297.399 -0.471 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CN1 ZINC001246860317 825723776 /nfs/dbraw/zinc/72/37/76/825723776.db2.gz NWWIBGAIOOTRJT-DQJFZVCTSA-N 2 1 283.372 -0.815 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CN1 ZINC001246860317 825723778 /nfs/dbraw/zinc/72/37/78/825723778.db2.gz NWWIBGAIOOTRJT-DQJFZVCTSA-N 2 1 283.372 -0.815 20 0 CBADMP c1cn2c(n1)CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246863323 825723856 /nfs/dbraw/zinc/72/38/56/825723856.db2.gz WOEYUCIGGLLBBI-LBPRGKRZSA-N 2 1 261.373 -0.165 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC3(C2)CC[NH+](C)CC3)C[NH2+]1 ZINC001246869180 825725124 /nfs/dbraw/zinc/72/51/24/825725124.db2.gz FRMFERZAZTVAQQ-NEPJUHHUSA-N 2 1 267.373 -0.083 20 0 CBADMP COC(=O)[C@@H]1C[C@H](n2c(C)nc3c2C[NH2+]CC3)C[NH2+]1 ZINC001246867752 825725199 /nfs/dbraw/zinc/72/51/99/825725199.db2.gz ZQKUUIBWMDIGSL-ONGXEEELSA-N 2 1 264.329 -0.087 20 0 CBADMP [NH3+]C1CN([C@H]2CCC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246871648 825726769 /nfs/dbraw/zinc/72/67/69/825726769.db2.gz NNLMJYIIRMGKLO-KBPBESRZSA-N 3 1 279.432 -0.812 20 0 CBADMP CC(=O)N1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1C ZINC001246887181 825727812 /nfs/dbraw/zinc/72/78/12/825727812.db2.gz JQYXWCFVVGUOAE-YPMHNXCESA-N 2 1 266.389 -0.367 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC(O)([C@H]3CCCC[NH2+]3)C2)C[NH2+]1 ZINC001246901470 825728272 /nfs/dbraw/zinc/72/82/72/825728272.db2.gz YBCZUOFZJMRSEU-GRYCIOLGSA-N 2 1 283.372 -0.921 20 0 CBADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246893844 825728308 /nfs/dbraw/zinc/72/83/08/825728308.db2.gz MTKRXOIRLJRWHC-MGPQQGTHSA-N 3 1 264.417 -0.036 20 0 CBADMP CN(C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246893844 825728316 /nfs/dbraw/zinc/72/83/16/825728316.db2.gz MTKRXOIRLJRWHC-MGPQQGTHSA-N 2 1 264.417 -0.036 20 0 CBADMP CN(C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246893844 825728322 /nfs/dbraw/zinc/72/83/22/825728322.db2.gz MTKRXOIRLJRWHC-MGPQQGTHSA-N 2 1 264.417 -0.036 20 0 CBADMP Cn1ncc2c1CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246890013 825728581 /nfs/dbraw/zinc/72/85/81/825728581.db2.gz HTLLGEAXUDKIBV-LBPRGKRZSA-N 2 1 261.373 -0.128 20 0 CBADMP C[C@H]1CN(C)C(=O)C[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246891929 825728650 /nfs/dbraw/zinc/72/86/50/825728650.db2.gz OFXUTZPBRPNOAR-WDEREUQCSA-N 2 1 252.362 -0.757 20 0 CBADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246893839 825728685 /nfs/dbraw/zinc/72/86/85/825728685.db2.gz MTKRXOIRLJRWHC-HZSPNIEDSA-N 3 1 264.417 -0.036 20 0 CBADMP CN(C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246893839 825728690 /nfs/dbraw/zinc/72/86/90/825728690.db2.gz MTKRXOIRLJRWHC-HZSPNIEDSA-N 2 1 264.417 -0.036 20 0 CBADMP CN(C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246893839 825728695 /nfs/dbraw/zinc/72/86/95/825728695.db2.gz MTKRXOIRLJRWHC-HZSPNIEDSA-N 2 1 264.417 -0.036 20 0 CBADMP Cn1ncc2c1CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246890010 825728913 /nfs/dbraw/zinc/72/89/13/825728913.db2.gz HTLLGEAXUDKIBV-GFCCVEGCSA-N 2 1 261.373 -0.128 20 0 CBADMP COC(=O)[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCCO1 ZINC001246912085 825730022 /nfs/dbraw/zinc/73/00/22/825730022.db2.gz QGDDKBWBSXKCHC-VXGBXAGGSA-N 2 1 283.372 -0.656 20 0 CBADMP COC(=O)[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCCO1 ZINC001246912080 825730247 /nfs/dbraw/zinc/73/02/47/825730247.db2.gz QGDDKBWBSXKCHC-NWDGAFQWSA-N 2 1 283.372 -0.656 20 0 CBADMP COC(=O)[C@H]1C[C@H](N(C)[C@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246914596 825731498 /nfs/dbraw/zinc/73/14/98/825731498.db2.gz SWFKNUIIXGDPOU-DMDPSCGWSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@H](N)[C@@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246928432 825732426 /nfs/dbraw/zinc/73/24/26/825732426.db2.gz ZMFLZWWFOSUJGY-JHJVBQTASA-N 2 1 296.415 -0.707 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+]([C@H]2CSC3(C[NH2+]C3)C2)C[C@H]1N ZINC001246930120 825732465 /nfs/dbraw/zinc/73/24/65/825732465.db2.gz JPOAQLYPDRJQSD-OPRDCNLKSA-N 2 1 271.386 -0.734 20 0 CBADMP COC(=O)[C@@H]1C[N@H+]([C@H]2CSC3(C[NH2+]C3)C2)C[C@H]1N ZINC001246930120 825732471 /nfs/dbraw/zinc/73/24/71/825732471.db2.gz JPOAQLYPDRJQSD-OPRDCNLKSA-N 2 1 271.386 -0.734 20 0 CBADMP CC[N@@H+](CCC(=O)OC)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246926130 825732498 /nfs/dbraw/zinc/73/24/98/825732498.db2.gz RLHARBNFVBVVPJ-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[N@H+]([C@@H]1CCC[NH2+]C1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246926739 825733124 /nfs/dbraw/zinc/73/31/24/825733124.db2.gz DYUCSFJDSMXXPS-ZIAGYGMSSA-N 3 1 282.432 -0.219 20 0 CBADMP COCC[N@@H+]([C@@H]1CCC[NH2+]C1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246926739 825733128 /nfs/dbraw/zinc/73/31/28/825733128.db2.gz DYUCSFJDSMXXPS-ZIAGYGMSSA-N 3 1 282.432 -0.219 20 0 CBADMP COC(=O)[C@@]1(N)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246925624 825733149 /nfs/dbraw/zinc/73/31/49/825733149.db2.gz POKOCDTXVGLHOQ-FIOVSDBCSA-N 2 1 253.346 -0.154 20 0 CBADMP COC(=O)[C@@]1(N)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246925624 825733152 /nfs/dbraw/zinc/73/31/52/825733152.db2.gz POKOCDTXVGLHOQ-FIOVSDBCSA-N 2 1 253.346 -0.154 20 0 CBADMP COC(=O)[C@]1(N)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246925630 825733208 /nfs/dbraw/zinc/73/32/08/825733208.db2.gz POKOCDTXVGLHOQ-LMSJBEHQSA-N 2 1 253.346 -0.154 20 0 CBADMP COC(=O)[C@]1(N)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246925630 825733211 /nfs/dbraw/zinc/73/32/11/825733211.db2.gz POKOCDTXVGLHOQ-LMSJBEHQSA-N 2 1 253.346 -0.154 20 0 CBADMP COCCN([C@@H]1CC[NH2+]C1)[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246929396 825733322 /nfs/dbraw/zinc/73/33/22/825733322.db2.gz ODCJARZNELWAOD-UTUOFQBUSA-N 2 1 271.361 -0.800 20 0 CBADMP C[NH2+]C1CCC([N@H+]2C[C@H](N)[C@H](C(=O)OC)C2)CC1 ZINC001246935879 825734399 /nfs/dbraw/zinc/73/43/99/825734399.db2.gz ZHMQFUIRSRPODF-HCWSGVFWSA-N 2 1 255.362 -0.051 20 0 CBADMP C[NH2+]C1CCC(N2C[C@H]([NH3+])[C@H](C(=O)OC)C2)CC1 ZINC001246935879 825734406 /nfs/dbraw/zinc/73/44/06/825734406.db2.gz ZHMQFUIRSRPODF-HCWSGVFWSA-N 2 1 255.362 -0.051 20 0 CBADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1N ZINC001246931345 825734676 /nfs/dbraw/zinc/73/46/76/825734676.db2.gz NVEAAGAXAUVHRS-YBXAARCKSA-N 2 1 253.346 -0.584 20 0 CBADMP CC(C)(O)CC[NH+]1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246942882 825736423 /nfs/dbraw/zinc/73/64/23/825736423.db2.gz RHBNGRLIYQVVNO-CQSZACIVSA-N 2 1 296.459 -0.141 20 0 CBADMP CC[N@H+]1C[C@H]2CN([C@@H]3C[NH2+][C@H](C(=O)OC)C3)C[C@H]2C1 ZINC001246980190 825737992 /nfs/dbraw/zinc/73/79/92/825737992.db2.gz PYBAABLTAIKNNE-RNJOBUHISA-N 2 1 267.373 -0.227 20 0 CBADMP CC[N@@H+]1C[C@H]2CN([C@@H]3C[NH2+][C@H](C(=O)OC)C3)C[C@H]2C1 ZINC001246980190 825737998 /nfs/dbraw/zinc/73/79/98/825737998.db2.gz PYBAABLTAIKNNE-RNJOBUHISA-N 2 1 267.373 -0.227 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N(CC[NH+](C)C)C2CC[NH2+]CC2)C[NH2+]1 ZINC001246984519 825739203 /nfs/dbraw/zinc/73/92/03/825739203.db2.gz IRTQHHIFEUYPDR-KGLIPLIRSA-N 3 1 298.431 -0.495 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246985859 825739883 /nfs/dbraw/zinc/73/98/83/825739883.db2.gz LEODHSUPEVRXJT-IHRRRGAJSA-N 3 1 298.431 -0.495 20 0 CBADMP CO[C@H]1C[NH2+]C[C@@H]1N(C)[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246993311 825741017 /nfs/dbraw/zinc/74/10/17/825741017.db2.gz ZRAOIBWHKYFOLI-VOAKCMCISA-N 2 1 299.415 -0.023 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2CC[C@@H]3[NH2+]CCC[C@H]3C2)C[NH2+]1 ZINC001247012209 825741749 /nfs/dbraw/zinc/74/17/49/825741749.db2.gz CVKSTOJWCTZVCG-ZDEQEGDKSA-N 2 1 267.373 -0.036 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2CC[C@H]3[NH2+]CCC[C@@H]3C2)C[NH2+]1 ZINC001247012208 825741868 /nfs/dbraw/zinc/74/18/68/825741868.db2.gz CVKSTOJWCTZVCG-YVECIDJPSA-N 2 1 267.373 -0.036 20 0 CBADMP C[NH+](C)CCNC(=S)N1CC([N@@H+](C)[C@@H]2CCOC2)C1 ZINC001249835976 825749549 /nfs/dbraw/zinc/74/95/49/825749549.db2.gz QVTYQULANCKCOV-LLVKDONJSA-N 2 1 286.445 -0.173 20 0 CBADMP CC[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251024467 825764977 /nfs/dbraw/zinc/76/49/77/825764977.db2.gz SVFOKFFNZBOMQJ-ZNMIVQPWSA-N 2 1 283.416 -0.437 20 0 CBADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251024467 825764979 /nfs/dbraw/zinc/76/49/79/825764979.db2.gz SVFOKFFNZBOMQJ-ZNMIVQPWSA-N 2 1 283.416 -0.437 20 0 CBADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251024467 825764981 /nfs/dbraw/zinc/76/49/81/825764981.db2.gz SVFOKFFNZBOMQJ-ZNMIVQPWSA-N 2 1 283.416 -0.437 20 0 CBADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251024467 825764984 /nfs/dbraw/zinc/76/49/84/825764984.db2.gz SVFOKFFNZBOMQJ-ZNMIVQPWSA-N 2 1 283.416 -0.437 20 0 CBADMP CC(C)OC[C@H](O)C[NH2+]C1CC[NH+](CCO)CC1 ZINC001252693480 825885222 /nfs/dbraw/zinc/88/52/22/825885222.db2.gz PKKQCVXVUUZBQM-CYBMUJFWSA-N 2 1 260.378 -0.181 20 0 CBADMP CC(C)(C)OC(=O)[C@H](O)C[NH2+]C1CC[NH+](CCO)CC1 ZINC001253703997 825926238 /nfs/dbraw/zinc/92/62/38/825926238.db2.gz NBCYEETZDIYEAR-GFCCVEGCSA-N 2 1 288.388 -0.265 20 0 CBADMP CC[NH+](CC)C[C@H](O)CN1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001253192104 825904260 /nfs/dbraw/zinc/90/42/60/825904260.db2.gz JQKVMHWDGWVXGH-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+](CC)C[C@H](O)CN1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001253192104 825904267 /nfs/dbraw/zinc/90/42/67/825904267.db2.gz JQKVMHWDGWVXGH-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC001253210839 825907559 /nfs/dbraw/zinc/90/75/59/825907559.db2.gz PDNVBJYVVOOMIG-OLZOCXBDSA-N 2 1 257.378 -0.101 20 0 CBADMP COC(=O)[C@H]1C[N@H+](C)CCN1C[C@H](O)C[NH2+]C(C)(C)C ZINC001253395500 825912347 /nfs/dbraw/zinc/91/23/47/825912347.db2.gz HMHZBVQLWVPHNK-VXGBXAGGSA-N 2 1 287.404 -0.476 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](C)CCN1C[C@H](O)C[NH2+]C(C)(C)C ZINC001253395500 825912350 /nfs/dbraw/zinc/91/23/50/825912350.db2.gz HMHZBVQLWVPHNK-VXGBXAGGSA-N 2 1 287.404 -0.476 20 0 CBADMP CN1CCOC[C@@H]1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253406393 825914238 /nfs/dbraw/zinc/91/42/38/825914238.db2.gz JHASORQUXOTJSG-RYUDHWBXSA-N 2 1 259.394 -0.344 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCN1CC2(COC2)C1 ZINC001253408805 825914612 /nfs/dbraw/zinc/91/46/12/825914612.db2.gz ZAYLGMXSFIIMKP-LBPRGKRZSA-N 2 1 271.405 -0.343 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCCOC1 ZINC001254363834 825957749 /nfs/dbraw/zinc/95/77/49/825957749.db2.gz IXPZPNCZVBWSSF-UWVGGRQHSA-N 2 1 272.349 -0.440 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1CCOCC1 ZINC001255032100 825974124 /nfs/dbraw/zinc/97/41/24/825974124.db2.gz HULGSIDUELULOK-JTQLQIEISA-N 2 1 272.349 -0.440 20 0 CBADMP COC(=O)C1(N[C@H]2CC[N@@H+](C)C2)CC[NH+](C)CC1 ZINC001255424208 825980674 /nfs/dbraw/zinc/98/06/74/825980674.db2.gz SGDQMTYAUMNAHO-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CCC[C@H](NCCC[NH+](CCO)CCO)C1 ZINC001255468425 825984723 /nfs/dbraw/zinc/98/47/23/825984723.db2.gz TZBMOGNAPGGHKF-ZDUSSCGKSA-N 2 1 259.394 -0.653 20 0 CBADMP C[N@H+]1CCC[C@@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)C1 ZINC001255479675 825985665 /nfs/dbraw/zinc/98/56/65/825985665.db2.gz KRDUBZMYQCCBSZ-MNOVXSKESA-N 2 1 251.334 -0.495 20 0 CBADMP C[N@@H+](C[C@H](O)CO)C1CCC([NH+]2CCOCC2)CC1 ZINC001256691017 826029435 /nfs/dbraw/zinc/02/94/35/826029435.db2.gz LUIJWKGXLNCISH-RUXDESIVSA-N 2 1 272.389 -0.085 20 0 CBADMP OC[C@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)C[C@H]1O ZINC001256690062 826030023 /nfs/dbraw/zinc/03/00/23/826030023.db2.gz FNFORCSPABLXTA-XSCHDIRWSA-N 2 1 284.400 -0.085 20 0 CBADMP NC[C@H](O)C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256676597 826030259 /nfs/dbraw/zinc/03/02/59/826030259.db2.gz FOBHFBFGIHPNTK-BPCQOVAHSA-N 2 1 257.378 -0.461 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001261380788 826508972 /nfs/dbraw/zinc/50/89/72/826508972.db2.gz REIAVYSCUYTQHP-NWDGAFQWSA-N 2 1 286.420 -0.053 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001261384285 826509117 /nfs/dbraw/zinc/50/91/17/826509117.db2.gz LXZUKQUNWGWGBV-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC001261384561 826509274 /nfs/dbraw/zinc/50/92/74/826509274.db2.gz UIFPCAQLKSORHV-LBPRGKRZSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH3+])CC2)CC[N@H+]1C ZINC001261495848 826525656 /nfs/dbraw/zinc/52/56/56/826525656.db2.gz XDVRBPGQTOETTF-GHMZBOCLSA-N 2 1 255.362 -0.361 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001261515618 826530886 /nfs/dbraw/zinc/53/08/86/826530886.db2.gz NTTPXWFWIAVBON-SDDRHHMPSA-N 2 1 255.362 -0.049 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001261515620 826531121 /nfs/dbraw/zinc/53/11/21/826531121.db2.gz NTTPXWFWIAVBON-TUAOUCFPSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@@H](C(=O)N(C)CC1C[NH+](C)C1)N1CC[NH+](C)CC1 ZINC001261752664 826574809 /nfs/dbraw/zinc/57/48/09/826574809.db2.gz MKEXEVFUITULEK-LBPRGKRZSA-N 2 1 268.405 -0.358 20 0 CBADMP C[C@H](C(=O)N(C)CC1C[NH+](C)C1)N1CC[NH+](C)CC1 ZINC001261752663 826574935 /nfs/dbraw/zinc/57/49/35/826574935.db2.gz MKEXEVFUITULEK-GFCCVEGCSA-N 2 1 268.405 -0.358 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001262066328 826630030 /nfs/dbraw/zinc/63/00/30/826630030.db2.gz YOKMIQLZWBUFAP-GMTAPVOTSA-N 2 1 280.372 -0.807 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001262066327 826630276 /nfs/dbraw/zinc/63/02/76/826630276.db2.gz YOKMIQLZWBUFAP-DCAQKATOSA-N 2 1 280.372 -0.807 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CC[NH2+]CC[NH2+]CC1 ZINC001262195201 826657395 /nfs/dbraw/zinc/65/73/95/826657395.db2.gz SIZDMCRCXRPHRP-STQMWFEESA-N 2 1 284.404 -0.835 20 0 CBADMP CC[N@H+]1CCC[C@@H](CNS(=O)(=O)C2C[NH2+]C2)C1 ZINC001262196154 826658075 /nfs/dbraw/zinc/65/80/75/826658075.db2.gz ZOHLMLFKGRUKJY-JTQLQIEISA-N 2 1 261.391 -0.391 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001262554282 826709244 /nfs/dbraw/zinc/70/92/44/826709244.db2.gz ZEKUDROPRBUTOO-VHSXEESVSA-N 2 1 265.361 -0.040 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001262563025 826710093 /nfs/dbraw/zinc/71/00/93/826710093.db2.gz SCYUFMMRQPFCKU-VXGBXAGGSA-N 2 1 272.393 -0.138 20 0 CBADMP C[C@@H]1CN(c2ccnc(N)n2)[C@@H](C)C[N@H+]1CCO ZINC001262699609 826724175 /nfs/dbraw/zinc/72/41/75/826724175.db2.gz GCCVBMWPBMRDNG-ZJUUUORDSA-N 2 1 251.334 -0.050 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC001263096555 826736566 /nfs/dbraw/zinc/73/65/66/826736566.db2.gz VMKFIKIPELDEFE-NXEZZACHSA-N 2 1 257.334 -0.665 20 0 CBADMP CC(C)(O)[C@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC001263095520 826736681 /nfs/dbraw/zinc/73/66/81/826736681.db2.gz ODOGGEFJOBTLFR-SECBINFHSA-N 2 1 261.391 -0.750 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)c2ccn(CCC[NH3+])n2)C1 ZINC001263096572 826736891 /nfs/dbraw/zinc/73/68/91/826736891.db2.gz VWEHZGBSWRZXRJ-NSHDSACASA-N 2 1 265.361 -0.087 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CCN2C)C[N@H+]1C1CC1 ZINC001263103421 826738445 /nfs/dbraw/zinc/73/84/45/826738445.db2.gz YRSNUVMDKNAONG-NQBHXWOUSA-N 2 1 266.389 -0.369 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001263103251 826738568 /nfs/dbraw/zinc/73/85/68/826738568.db2.gz UELMWRLHENTIAG-DZGCQCFKSA-N 2 1 298.431 -0.757 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)NCCOCC[NH+](C)C)cc2C[NH2+]1 ZINC001263117191 826741579 /nfs/dbraw/zinc/74/15/79/826741579.db2.gz UWPHRIMSKZJTHG-LLVKDONJSA-N 2 1 295.387 -0.317 20 0 CBADMP C[NH2+][C@H](C(=O)NCCC[NH2+]C1CC1)c1cnn(C)c1 ZINC001263134745 826743229 /nfs/dbraw/zinc/74/32/29/826743229.db2.gz BSHCJVBQUKDMAA-LBPRGKRZSA-N 2 1 265.361 -0.061 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[C@H](O)C[NH2+]C)C1 ZINC001263160959 826745971 /nfs/dbraw/zinc/74/59/71/826745971.db2.gz SDPIWAMVIULLSX-GRYCIOLGSA-N 2 1 257.378 -0.197 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC12CC(C1)C[NH2+]2 ZINC001263160895 826746609 /nfs/dbraw/zinc/74/66/09/826746609.db2.gz QGMAZTYLFBWJBR-JJMZSNKZSA-N 2 1 264.373 -0.757 20 0 CBADMP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1[NH2+]CCc2occc21 ZINC001263170683 826748239 /nfs/dbraw/zinc/74/82/39/826748239.db2.gz WGLKZRUVKBSCNL-BXKDBHETSA-N 2 1 267.329 -0.495 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1(C)C ZINC001263181711 826750710 /nfs/dbraw/zinc/75/07/10/826750710.db2.gz UGFFDKPRFQONGU-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CCO[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)C[NH+](C)C ZINC001263204847 826753311 /nfs/dbraw/zinc/75/33/11/826753311.db2.gz KJLMZOIDTJWUDY-ZJUUUORDSA-N 2 1 261.391 -0.268 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001263210936 826753677 /nfs/dbraw/zinc/75/36/77/826753677.db2.gz YXKWHFLQUCDCHZ-ZDUSSCGKSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CCOCCO ZINC001264172798 826800216 /nfs/dbraw/zinc/80/02/16/826800216.db2.gz QURJBCWUFJBKOU-RDBSUJKOSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CCOCCO ZINC001264172798 826800228 /nfs/dbraw/zinc/80/02/28/826800228.db2.gz QURJBCWUFJBKOU-RDBSUJKOSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCOCCO ZINC001264172798 826800241 /nfs/dbraw/zinc/80/02/41/826800241.db2.gz QURJBCWUFJBKOU-RDBSUJKOSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](O)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264973561 826823154 /nfs/dbraw/zinc/82/31/54/826823154.db2.gz BWEOYVUKCNQUTM-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264973561 826823167 /nfs/dbraw/zinc/82/31/67/826823167.db2.gz BWEOYVUKCNQUTM-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H](O)C[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001264973561 826823181 /nfs/dbraw/zinc/82/31/81/826823181.db2.gz BWEOYVUKCNQUTM-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H](O)C[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001264973561 826823192 /nfs/dbraw/zinc/82/31/92/826823192.db2.gz BWEOYVUKCNQUTM-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCCNC(=O)C[NH+]2CCCC2)C1=O ZINC001265068219 826841101 /nfs/dbraw/zinc/84/11/01/826841101.db2.gz BDQMCJQVQYROEO-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCO)C1 ZINC001265235942 826856404 /nfs/dbraw/zinc/85/64/04/826856404.db2.gz ZJGVBXRJAUFPDD-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001265235942 826856415 /nfs/dbraw/zinc/85/64/15/826856415.db2.gz ZJGVBXRJAUFPDD-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001265235942 826856427 /nfs/dbraw/zinc/85/64/27/826856427.db2.gz ZJGVBXRJAUFPDD-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001265223051 826857532 /nfs/dbraw/zinc/85/75/32/826857532.db2.gz PLLJMBVAJBCCKP-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCOCCO)C1)[NH+](C)C ZINC001265312048 826879818 /nfs/dbraw/zinc/87/98/18/826879818.db2.gz GGPWXMSCGPJFCX-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCCO)C2)CC[N@H+]1C ZINC001265430739 826893514 /nfs/dbraw/zinc/89/35/14/826893514.db2.gz HOUBCXNKQQVKRR-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001265549748 826903692 /nfs/dbraw/zinc/90/36/92/826903692.db2.gz XGXPGZSPJVOIGL-BETUJISGSA-N 2 1 296.371 -0.563 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001265573188 826904830 /nfs/dbraw/zinc/90/48/30/826904830.db2.gz XXDSAQKFOMVPLF-SDDRHHMPSA-N 2 1 257.378 -0.056 20 0 CBADMP CCOCC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001265760831 826914638 /nfs/dbraw/zinc/91/46/38/826914638.db2.gz IBHSMXOOZACHKD-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP CCOCC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001265760831 826914646 /nfs/dbraw/zinc/91/46/46/826914646.db2.gz IBHSMXOOZACHKD-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@@H+](CCO)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001266028126 826949236 /nfs/dbraw/zinc/94/92/36/826949236.db2.gz JJMWQTWPRBCDQM-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](CCO)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001266028126 826949246 /nfs/dbraw/zinc/94/92/46/826949246.db2.gz JJMWQTWPRBCDQM-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](CCO)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001266028126 826949252 /nfs/dbraw/zinc/94/92/52/826949252.db2.gz JJMWQTWPRBCDQM-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266326678 826983918 /nfs/dbraw/zinc/98/39/18/826983918.db2.gz HGJURABSTFNHMI-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001266326678 826983919 /nfs/dbraw/zinc/98/39/19/826983919.db2.gz HGJURABSTFNHMI-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001266326678 826983924 /nfs/dbraw/zinc/98/39/24/826983924.db2.gz HGJURABSTFNHMI-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP COCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001266401863 826996239 /nfs/dbraw/zinc/99/62/39/826996239.db2.gz UGZYTTYKSVDLOX-QWHCGFSZSA-N 2 1 285.388 -0.552 20 0 CBADMP COCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001266401863 826996241 /nfs/dbraw/zinc/99/62/41/826996241.db2.gz UGZYTTYKSVDLOX-QWHCGFSZSA-N 2 1 285.388 -0.552 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001266640643 827038124 /nfs/dbraw/zinc/03/81/24/827038124.db2.gz XXDSAQKFOMVPLF-IJLUTSLNSA-N 2 1 257.378 -0.056 20 0 CBADMP CN(CC[NH2+]Cc1cnnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001266660477 827042789 /nfs/dbraw/zinc/04/27/89/827042789.db2.gz PMVRXBGIMDZDCQ-GFCCVEGCSA-N 2 1 280.376 -0.543 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@@H](C)O ZINC001267238986 827134691 /nfs/dbraw/zinc/13/46/91/827134691.db2.gz WLNWCSHTDVEJHG-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C[C@@H](C)O ZINC001267238986 827134694 /nfs/dbraw/zinc/13/46/94/827134694.db2.gz WLNWCSHTDVEJHG-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C[C@@H](C)O ZINC001267238986 827134695 /nfs/dbraw/zinc/13/46/95/827134695.db2.gz WLNWCSHTDVEJHG-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001267281637 827142470 /nfs/dbraw/zinc/14/24/70/827142470.db2.gz NPLYHRSVHIIJAS-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001267281637 827142475 /nfs/dbraw/zinc/14/24/75/827142475.db2.gz NPLYHRSVHIIJAS-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001267393323 827164207 /nfs/dbraw/zinc/16/42/07/827164207.db2.gz BNIGSHKMBURGHH-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001267391323 827164389 /nfs/dbraw/zinc/16/43/89/827164389.db2.gz GMZHNLVFFREBDH-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001267414449 827167498 /nfs/dbraw/zinc/16/74/98/827167498.db2.gz HLYRCUOAZRBBPZ-LLVKDONJSA-N 2 1 270.377 -0.783 20 0 CBADMP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001267456532 827174566 /nfs/dbraw/zinc/17/45/66/827174566.db2.gz AKKOWFDLCOUWAO-GFCCVEGCSA-N 2 1 282.392 -0.297 20 0 CBADMP CC[C@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+]CCO ZINC001267811771 827225734 /nfs/dbraw/zinc/22/57/34/827225734.db2.gz NIWAXVQFWNFAAK-LLVKDONJSA-N 2 1 254.334 -0.332 20 0 CBADMP CC(C)[NH2+]C[C@@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268322151 827299529 /nfs/dbraw/zinc/29/95/29/827299529.db2.gz PNKZRUFXISQBOH-NWDGAFQWSA-N 2 1 257.378 -0.197 20 0 CBADMP C[C@@H](CC[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001268347181 827312401 /nfs/dbraw/zinc/31/24/01/827312401.db2.gz BDOXCIQYAQWIDS-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](CC[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268390243 827320885 /nfs/dbraw/zinc/32/08/85/827320885.db2.gz AHMOQIJMDXHAJG-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268442311 827329469 /nfs/dbraw/zinc/32/94/69/827329469.db2.gz BGVTZDNOPHXDAK-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268442311 827329475 /nfs/dbraw/zinc/32/94/75/827329475.db2.gz BGVTZDNOPHXDAK-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CCN(CC[NH2+]CC(N)=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001268454355 827334938 /nfs/dbraw/zinc/33/49/38/827334938.db2.gz RXIMEMUQPRRSBT-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP CC(C)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001268521743 827353563 /nfs/dbraw/zinc/35/35/63/827353563.db2.gz IQNYDVRPPHJDJC-ZFDPJTLLSA-N 2 1 296.415 -0.133 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CCO)CC[N@H+]1C ZINC001268542342 827361089 /nfs/dbraw/zinc/36/10/89/827361089.db2.gz OUTVHZDVEWVKKK-QITAHTHBSA-N 2 1 269.389 -0.029 20 0 CBADMP Cc1nnc(C[NH2+]CC=CCNC(=O)CC[NH+](C)C)[nH]1 ZINC001268585962 827373336 /nfs/dbraw/zinc/37/33/36/827373336.db2.gz CBEITAHBOBXSTN-SNAWJCMRSA-N 2 1 280.376 -0.173 20 0 CBADMP C[C@H](C[N@@H+](C)CCCO)NC(=O)C12CC[NH+](CC1)C2 ZINC001268752497 827416744 /nfs/dbraw/zinc/41/67/44/827416744.db2.gz PEQQQGNGMBBZTE-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(N)=O ZINC001268791511 827424039 /nfs/dbraw/zinc/42/40/39/827424039.db2.gz OEUKAWMBPPKUMY-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP CN(CCC[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268946581 827442997 /nfs/dbraw/zinc/44/29/97/827442997.db2.gz PBHFGHFZBTUTCA-LLVKDONJSA-N 2 1 295.391 -0.900 20 0 CBADMP CN(CCC[NH2+]Cc1nnnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268946582 827443430 /nfs/dbraw/zinc/44/34/30/827443430.db2.gz PBHFGHFZBTUTCA-NSHDSACASA-N 2 1 295.391 -0.900 20 0 CBADMP CN(CC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)C(N)=[NH2+] ZINC001268995862 827446697 /nfs/dbraw/zinc/44/66/97/827446697.db2.gz DCMMCYBTMVULCQ-ZDUSSCGKSA-N 2 1 267.377 -0.244 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCO)CC1 ZINC001269438036 827508657 /nfs/dbraw/zinc/50/86/57/827508657.db2.gz YIWUYFDAZHDETC-NSHDSACASA-N 2 1 255.362 -0.299 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001269489301 827513833 /nfs/dbraw/zinc/51/38/33/827513833.db2.gz MFHZGDZFDQGEFF-VXGBXAGGSA-N 2 1 269.389 -0.053 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]C[C@H](C)O)CC1 ZINC001269518626 827516357 /nfs/dbraw/zinc/51/63/57/827516357.db2.gz HVIHSGHVRGPWCY-NSHDSACASA-N 2 1 257.378 -0.053 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCO)C1 ZINC001270187283 827553078 /nfs/dbraw/zinc/55/30/78/827553078.db2.gz HSKIUFIWRIQMGK-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001270980919 827612191 /nfs/dbraw/zinc/61/21/91/827612191.db2.gz ZYACXELRSVIHNP-CYBMUJFWSA-N 2 1 296.415 -0.977 20 0 CBADMP C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001270980919 827612195 /nfs/dbraw/zinc/61/21/95/827612195.db2.gz ZYACXELRSVIHNP-CYBMUJFWSA-N 2 1 296.415 -0.977 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)C[NH2+]CCO ZINC001271035556 827615941 /nfs/dbraw/zinc/61/59/41/827615941.db2.gz LNTJUKCFNHBFAN-JTQLQIEISA-N 2 1 254.334 -0.380 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)C[NH2+]CCO ZINC001271035557 827615968 /nfs/dbraw/zinc/61/59/68/827615968.db2.gz LNTJUKCFNHBFAN-SNVBAGLBSA-N 2 1 254.334 -0.380 20 0 CBADMP CCOCCN1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001271388276 827698139 /nfs/dbraw/zinc/69/81/39/827698139.db2.gz UVFLPZRHCBBUTE-LBPRGKRZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001271943232 827738408 /nfs/dbraw/zinc/73/84/08/827738408.db2.gz WMNPIEUBODKEDM-MJBXVCDLSA-N 2 1 279.384 -0.130 20 0 CBADMP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001271943232 827738411 /nfs/dbraw/zinc/73/84/11/827738411.db2.gz WMNPIEUBODKEDM-MJBXVCDLSA-N 2 1 279.384 -0.130 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C1)CC[N@H+](C)C2 ZINC001272273546 827776997 /nfs/dbraw/zinc/77/69/97/827776997.db2.gz PYGGXMRLNSBPRQ-QWRGUYRKSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C2)C1 ZINC001272273546 827777001 /nfs/dbraw/zinc/77/70/01/827777001.db2.gz PYGGXMRLNSBPRQ-QWRGUYRKSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C2)C1 ZINC001272273546 827777004 /nfs/dbraw/zinc/77/70/04/827777004.db2.gz PYGGXMRLNSBPRQ-QWRGUYRKSA-N 2 1 253.346 -0.785 20 0 CBADMP COCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001272453516 827800299 /nfs/dbraw/zinc/80/02/99/827800299.db2.gz LFQAAAKXYCZZLY-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001272555619 827821490 /nfs/dbraw/zinc/82/14/90/827821490.db2.gz OLYDAYVUPVPOMX-FRRDWIJNSA-N 2 1 266.389 -0.463 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001272555619 827821500 /nfs/dbraw/zinc/82/15/00/827821500.db2.gz OLYDAYVUPVPOMX-FRRDWIJNSA-N 2 1 266.389 -0.463 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001272555619 827821511 /nfs/dbraw/zinc/82/15/11/827821511.db2.gz OLYDAYVUPVPOMX-FRRDWIJNSA-N 2 1 266.389 -0.463 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CCC2CC2)C1 ZINC001272576282 827824240 /nfs/dbraw/zinc/82/42/40/827824240.db2.gz XPDYBQHHTVHASV-STQMWFEESA-N 2 1 269.389 -0.195 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCF ZINC001272582927 827824656 /nfs/dbraw/zinc/82/46/56/827824656.db2.gz DFXZIXKUVRUAJN-NWDGAFQWSA-N 2 1 275.368 -0.103 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CCC2CC2)C1 ZINC001272576279 827824998 /nfs/dbraw/zinc/82/49/98/827824998.db2.gz XPDYBQHHTVHASV-CHWSQXEVSA-N 2 1 269.389 -0.195 20 0 CBADMP C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CC[C@H](O)C3)C[C@H]2CC1 ZINC001273070029 827861656 /nfs/dbraw/zinc/86/16/56/827861656.db2.gz PPLJJRFUTMRMDR-MJBXVCDLSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C[C@H]2CC1 ZINC001273070029 827861669 /nfs/dbraw/zinc/86/16/69/827861669.db2.gz PPLJJRFUTMRMDR-MJBXVCDLSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@H]2CN(C(=O)C[N@H+]3CC[C@H](O)C3)C[C@H]2CC1 ZINC001273070029 827861679 /nfs/dbraw/zinc/86/16/79/827861679.db2.gz PPLJJRFUTMRMDR-MJBXVCDLSA-N 2 1 281.400 -0.147 20 0 CBADMP C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](O)C1)CC2 ZINC001273070008 827861762 /nfs/dbraw/zinc/86/17/62/827861762.db2.gz PCMHNEFWQYVCPD-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)CC2 ZINC001273070008 827861769 /nfs/dbraw/zinc/86/17/69/827861769.db2.gz PCMHNEFWQYVCPD-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](O)C1)CC2 ZINC001273070008 827861780 /nfs/dbraw/zinc/86/17/80/827861780.db2.gz PCMHNEFWQYVCPD-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273175971 827871596 /nfs/dbraw/zinc/87/15/96/827871596.db2.gz NLJXVRCDOCCIJG-WDEREUQCSA-N 2 1 270.377 -0.832 20 0 CBADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC1 ZINC001273367970 827895355 /nfs/dbraw/zinc/89/53/55/827895355.db2.gz XGZPQHVRGLRXOQ-OKILXGFUSA-N 2 1 280.416 -0.071 20 0 CBADMP CN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001273426284 827900295 /nfs/dbraw/zinc/90/02/95/827900295.db2.gz HKPXMYIKULRZKD-RWMBFGLXSA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001273426284 827900299 /nfs/dbraw/zinc/90/02/99/827900299.db2.gz HKPXMYIKULRZKD-RWMBFGLXSA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CCC[N@H+](C)C1 ZINC001273426284 827900302 /nfs/dbraw/zinc/90/03/02/827900302.db2.gz HKPXMYIKULRZKD-RWMBFGLXSA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CCC[C@H](C(=O)N2[C@H]3COC[C@@H]2C[N@H+](C)C3)C1 ZINC001273426284 827900303 /nfs/dbraw/zinc/90/03/03/827900303.db2.gz HKPXMYIKULRZKD-RWMBFGLXSA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CCC[C@H](C(=O)N2[C@H]3COC[C@@H]2C[N@@H+](C)C3)C1 ZINC001273426284 827900306 /nfs/dbraw/zinc/90/03/06/827900306.db2.gz HKPXMYIKULRZKD-RWMBFGLXSA-N 2 1 267.373 -0.130 20 0 CBADMP COCC[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273506289 827905599 /nfs/dbraw/zinc/90/55/99/827905599.db2.gz NGRFRMHEQNRWIJ-CQSZACIVSA-N 2 1 285.388 -0.502 20 0 CBADMP COC(=O)C[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273931482 827943611 /nfs/dbraw/zinc/94/36/11/827943611.db2.gz LGBSCKDIDCJZNI-CQSZACIVSA-N 2 1 283.372 -0.355 20 0 CBADMP CC(=O)[C@H](C)N1CC[C@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001273982143 827948850 /nfs/dbraw/zinc/94/88/50/827948850.db2.gz IYVOLOALNGWPJP-WFASDCNBSA-N 2 1 297.399 -0.171 20 0 CBADMP COC[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001274038677 827954782 /nfs/dbraw/zinc/95/47/82/827954782.db2.gz XRIZNTZJKYKTDC-TUCADOHPSA-N 2 1 299.415 -0.404 20 0 CBADMP CC[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274551940 827997586 /nfs/dbraw/zinc/99/75/86/827997586.db2.gz CXDBNFHJOVSXNH-HIFRSBDPSA-N 2 1 299.415 -0.378 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001274843058 828034323 /nfs/dbraw/zinc/03/43/23/828034323.db2.gz HEHOBLJBLJFNFR-PSASIEDQSA-N 2 1 267.333 -0.840 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001275039304 828050399 /nfs/dbraw/zinc/05/03/99/828050399.db2.gz RCHOBWICPSSDNM-ZJUUUORDSA-N 2 1 258.366 -0.705 20 0 CBADMP CN(C)C(=O)C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C)CC3)[C@@H]2C1 ZINC001275045876 828052636 /nfs/dbraw/zinc/05/26/36/828052636.db2.gz TVZHXHIFJBKLET-VXGBXAGGSA-N 2 1 294.399 -0.783 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2C[N@@H+](C[C@@H]3CCC(=O)N3)C[C@H](C1)O2 ZINC001275188987 828064069 /nfs/dbraw/zinc/06/40/69/828064069.db2.gz RVWRNAZFULFQON-MELADBBJSA-N 2 1 296.415 -0.788 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](C[C@@H]3CCC(=O)N3)C[C@H](C1)O2 ZINC001275188987 828064075 /nfs/dbraw/zinc/06/40/75/828064075.db2.gz RVWRNAZFULFQON-MELADBBJSA-N 2 1 296.415 -0.788 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCC(=O)N1)C2 ZINC001275189191 828064531 /nfs/dbraw/zinc/06/45/31/828064531.db2.gz ZIVKYOGGWRXIJH-MCIONIFRSA-N 2 1 280.416 -0.167 20 0 CBADMP CN(C)C(=O)C[N@H+]1C[C@@H]2C[C@H]1CN(CC[NH+](C)C)C2 ZINC001275198853 828065920 /nfs/dbraw/zinc/06/59/20/828065920.db2.gz CJLFZTWKCTWFEH-OLZOCXBDSA-N 2 1 268.405 -0.358 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001275199695 828067628 /nfs/dbraw/zinc/06/76/28/828067628.db2.gz QGNWWYFIXZIURP-QWHCGFSZSA-N 2 1 268.405 -0.358 20 0 CBADMP C[C@@H](C[NH2+]CCO)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001275214500 828068672 /nfs/dbraw/zinc/06/86/72/828068672.db2.gz CZILJKNYZFUVAE-VIFPVBQESA-N 2 1 270.333 -0.564 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@@H]21 ZINC001275212693 828068979 /nfs/dbraw/zinc/06/89/79/828068979.db2.gz VSCKYYHFDAREPG-KBPBESRZSA-N 2 1 279.388 -0.144 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@@H]21 ZINC001275212693 828068986 /nfs/dbraw/zinc/06/89/86/828068986.db2.gz VSCKYYHFDAREPG-KBPBESRZSA-N 2 1 279.388 -0.144 20 0 CBADMP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)[nH]1 ZINC001275291807 828075760 /nfs/dbraw/zinc/07/57/60/828075760.db2.gz OHOWJBKRCYHBJX-VIFPVBQESA-N 2 1 268.365 -0.341 20 0 CBADMP C[C@@H](C[N@@H+](C)CCO)NC(=O)C12CC[NH+](CC1)C2 ZINC001275698372 828108474 /nfs/dbraw/zinc/10/84/74/828108474.db2.gz QLZPPQMRROHFQM-NSHDSACASA-N 2 1 255.362 -0.489 20 0 CBADMP CN(CCC[NH2+]C[C@@H]1CCOC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001275930776 828124498 /nfs/dbraw/zinc/12/44/98/828124498.db2.gz QUPLXDJSTPIMLR-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CCC[NH2+]C[C@@H]1CCOC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001275930776 828124499 /nfs/dbraw/zinc/12/44/99/828124499.db2.gz QUPLXDJSTPIMLR-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](C)CCN1CCC12C[NH+](Cc1c[nH]c(=O)[nH]c1=O)C2 ZINC001276111009 828135057 /nfs/dbraw/zinc/13/50/57/828135057.db2.gz SGGZGFUVLXKCEG-UHFFFAOYSA-N 2 1 293.371 -0.291 20 0 CBADMP C[C@H](O)C[NH2+]CCCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001276279685 828139969 /nfs/dbraw/zinc/13/99/69/828139969.db2.gz UCIJGWWWMLSFNL-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CCC[NH2+][C@@H]1CCNC1=O ZINC001276339646 828141907 /nfs/dbraw/zinc/14/19/07/828141907.db2.gz IQVISLRLUMFSBL-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001276379689 828143540 /nfs/dbraw/zinc/14/35/40/828143540.db2.gz OZLAUHHHNQFHAA-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP COC(=O)[C@H](C)C[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001276523282 828148662 /nfs/dbraw/zinc/14/86/62/828148662.db2.gz MGYXZAGIAGTKJI-MCIONIFRSA-N 2 1 299.415 -0.258 20 0 CBADMP COC(=O)[C@H](C)C[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001276523282 828148667 /nfs/dbraw/zinc/14/86/67/828148667.db2.gz MGYXZAGIAGTKJI-MCIONIFRSA-N 2 1 299.415 -0.258 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C[C@@H](C)O ZINC001276956891 828169276 /nfs/dbraw/zinc/16/92/76/828169276.db2.gz PKCHPWVJEKTFMK-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1C[C@@H](C)O ZINC001276956891 828169279 /nfs/dbraw/zinc/16/92/79/828169279.db2.gz PKCHPWVJEKTFMK-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1C[C@@H](C)O ZINC001276956891 828169284 /nfs/dbraw/zinc/16/92/84/828169284.db2.gz PKCHPWVJEKTFMK-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP COCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001277028626 828172990 /nfs/dbraw/zinc/17/29/90/828172990.db2.gz WNMMCIIFFLLBSP-NSHDSACASA-N 2 1 271.361 -0.798 20 0 CBADMP COCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001277028626 828172994 /nfs/dbraw/zinc/17/29/94/828172994.db2.gz WNMMCIIFFLLBSP-NSHDSACASA-N 2 1 271.361 -0.798 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](C[C@@H]3COCCO3)[C@@H]2C1 ZINC001277526408 828192902 /nfs/dbraw/zinc/19/29/02/828192902.db2.gz DCIFLUDTRWCBHQ-RRFJBIMHSA-N 2 1 283.416 -0.031 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](C[C@H]3COCCO3)C[C@H]21 ZINC001277527156 828194546 /nfs/dbraw/zinc/19/45/46/828194546.db2.gz WBUHENMGRHJSPF-ZNMIVQPWSA-N 2 1 299.415 -0.652 20 0 CBADMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2CC(=O)NC1CC1 ZINC001277630316 828199610 /nfs/dbraw/zinc/19/96/10/828199610.db2.gz HSSPHKMJYZXJPF-KBPBESRZSA-N 2 1 280.416 -0.025 20 0 CBADMP CNC(=O)C(C)(C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277640302 828200790 /nfs/dbraw/zinc/20/07/90/828200790.db2.gz LIJCTHUCHNPOHV-OLZOCXBDSA-N 2 1 298.431 -0.542 20 0 CBADMP CNC(=O)C(C)(C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277640302 828200795 /nfs/dbraw/zinc/20/07/95/828200795.db2.gz LIJCTHUCHNPOHV-OLZOCXBDSA-N 2 1 298.431 -0.542 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001277707216 828204514 /nfs/dbraw/zinc/20/45/14/828204514.db2.gz XDSBEQDAAUCWBQ-LLVKDONJSA-N 2 1 257.378 -0.150 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001277707216 828204516 /nfs/dbraw/zinc/20/45/16/828204516.db2.gz XDSBEQDAAUCWBQ-LLVKDONJSA-N 2 1 257.378 -0.150 20 0 CBADMP CN(C)C(=O)C1=NO[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001277822847 828211922 /nfs/dbraw/zinc/21/19/22/828211922.db2.gz ZJHDIAGLQBEGLG-NWDGAFQWSA-N 2 1 280.372 -0.239 20 0 CBADMP COC(=O)CC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277872696 828215899 /nfs/dbraw/zinc/21/58/99/828215899.db2.gz YGKCDERARSDAAQ-OLZOCXBDSA-N 2 1 285.388 -0.504 20 0 CBADMP COC(=O)CC[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277872435 828215930 /nfs/dbraw/zinc/21/59/30/828215930.db2.gz RZSORHWNCRPYLM-BETUJISGSA-N 2 1 285.388 -0.504 20 0 CBADMP CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001277910664 828218243 /nfs/dbraw/zinc/21/82/43/828218243.db2.gz TVEJRPGXXSHNTP-OKILXGFUSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001277960076 828221965 /nfs/dbraw/zinc/22/19/65/828221965.db2.gz YXRMUNKYJCAQOP-WOPDTQHZSA-N 2 1 267.373 -0.491 20 0 CBADMP C[C@@H](O)C[NH+]1CCC2(C[NH+](CC(=O)N(C)C)C2)CC1 ZINC001277959910 828222661 /nfs/dbraw/zinc/22/26/61/828222661.db2.gz WXMQWIDKLAAPKC-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277959942 828222741 /nfs/dbraw/zinc/22/27/41/828222741.db2.gz DETKVXCQMXFOPY-UPJWGTAASA-N 2 1 257.378 -0.686 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCO)C1 ZINC001277997670 828228365 /nfs/dbraw/zinc/22/83/65/828228365.db2.gz QAZYITQWXNUHMV-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H](CO)C[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277998626 828229479 /nfs/dbraw/zinc/22/94/79/828229479.db2.gz NZKWUFCLIUZNHK-MELADBBJSA-N 2 1 271.405 -0.439 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001278027316 828231599 /nfs/dbraw/zinc/23/15/99/828231599.db2.gz CFSTYFRAKHTXIR-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001278032099 828232887 /nfs/dbraw/zinc/23/28/87/828232887.db2.gz GZLVBSMHTRGXMM-FRRDWIJNSA-N 2 1 284.404 -0.803 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001278032099 828232895 /nfs/dbraw/zinc/23/28/95/828232895.db2.gz GZLVBSMHTRGXMM-FRRDWIJNSA-N 2 1 284.404 -0.803 20 0 CBADMP CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001278077309 828242798 /nfs/dbraw/zinc/24/27/98/828242798.db2.gz IFWIYAYRYQOYGZ-NEPJUHHUSA-N 2 1 257.378 -0.054 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CCF)C1 ZINC001278155294 828253033 /nfs/dbraw/zinc/25/30/33/828253033.db2.gz OXRYGKLXFYZOEW-GHMZBOCLSA-N 2 1 261.341 -0.636 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CCF)C1 ZINC001278155297 828253398 /nfs/dbraw/zinc/25/33/98/828253398.db2.gz OXRYGKLXFYZOEW-QWRGUYRKSA-N 2 1 261.341 -0.636 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCCO)C(C)(C)C2)C1 ZINC001278630743 828274695 /nfs/dbraw/zinc/27/46/95/828274695.db2.gz NNNVQIIBWSHUSN-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCCO)C(C)(C)C2)C1 ZINC001278630743 828274702 /nfs/dbraw/zinc/27/47/02/828274702.db2.gz NNNVQIIBWSHUSN-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278766726 828285851 /nfs/dbraw/zinc/28/58/51/828285851.db2.gz MJNICGMCVOKHTG-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP COCCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001278766726 828285855 /nfs/dbraw/zinc/28/58/55/828285855.db2.gz MJNICGMCVOKHTG-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP COCCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001278766726 828285857 /nfs/dbraw/zinc/28/58/57/828285857.db2.gz MJNICGMCVOKHTG-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001278867856 828301731 /nfs/dbraw/zinc/30/17/31/828301731.db2.gz FLTNGOGLSLLLQX-VXGBXAGGSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001278867856 828301740 /nfs/dbraw/zinc/30/17/40/828301740.db2.gz FLTNGOGLSLLLQX-VXGBXAGGSA-N 2 1 269.389 -0.102 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCO)C1 ZINC001279124508 828318161 /nfs/dbraw/zinc/31/81/61/828318161.db2.gz LQJUEYGFLQJARD-AAEUAGOBSA-N 2 1 280.372 -0.132 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)C2([NH3+])CC2)CC1 ZINC001326372962 885006936 /nfs/dbraw/zinc/00/69/36/885006936.db2.gz TVXFBTPTVXXACF-UHFFFAOYSA-N 2 1 254.378 -0.379 20 0 CBADMP C[NH2+]C1CCN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC001326503288 885048699 /nfs/dbraw/zinc/04/86/99/885048699.db2.gz QXQCUSMNNOMTEH-LBPRGKRZSA-N 2 1 268.405 -0.133 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)NCCC[NH+]1CCOCC1 ZINC001326626629 885095585 /nfs/dbraw/zinc/09/55/85/885095585.db2.gz KUSPYDBBRWSFDH-GFCCVEGCSA-N 2 1 272.393 -0.896 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC(=O)N1CC[NH2+]CC1 ZINC001329497885 886096769 /nfs/dbraw/zinc/09/67/69/886096769.db2.gz AAEHZBAUTDLCJD-VXGBXAGGSA-N 2 1 254.378 -0.557 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001329946891 886293296 /nfs/dbraw/zinc/29/32/96/886293296.db2.gz ZRJLDEGJPKOLCN-LBPRGKRZSA-N 2 1 282.388 -0.510 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC001331770240 886969101 /nfs/dbraw/zinc/96/91/01/886969101.db2.gz KDNAVNCTCPSEQM-GFCCVEGCSA-N 2 1 267.373 -0.347 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC001331770240 886969118 /nfs/dbraw/zinc/96/91/18/886969118.db2.gz KDNAVNCTCPSEQM-GFCCVEGCSA-N 2 1 267.373 -0.347 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](CO)C2)CC1 ZINC001333018862 887506623 /nfs/dbraw/zinc/50/66/23/887506623.db2.gz HARQQJQPUSQNQE-NSHDSACASA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC001333548014 887687609 /nfs/dbraw/zinc/68/76/09/887687609.db2.gz KTUZIIWFZGJFTK-WOPDTQHZSA-N 2 1 282.388 -0.594 20 0 CBADMP [NH3+]C1(CNC(=O)NCCCCC[NH+]2CCNCC2)CC1 ZINC001335628543 888589330 /nfs/dbraw/zinc/58/93/30/888589330.db2.gz IUMQQDBJFFJZHM-UHFFFAOYSA-N 2 1 283.420 -0.148 20 0 CBADMP C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1C[NH+](C)CCN1C ZINC001335987635 888666423 /nfs/dbraw/zinc/66/64/23/888666423.db2.gz SMRHBRYMGKEFGL-QEJZJMRPSA-N 2 1 284.448 -0.335 20 0 CBADMP C[C@H](NC[C@H](O)C[NH+](C)C1CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001335987635 888666438 /nfs/dbraw/zinc/66/64/38/888666438.db2.gz SMRHBRYMGKEFGL-QEJZJMRPSA-N 2 1 284.448 -0.335 20 0 CBADMP C[C@H](NC[C@H](O)C[NH+](C)C1CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001335987635 888666455 /nfs/dbraw/zinc/66/64/55/888666455.db2.gz SMRHBRYMGKEFGL-QEJZJMRPSA-N 2 1 284.448 -0.335 20 0 CBADMP C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)C2(O)CCOCC2)C1 ZINC001336732947 888860126 /nfs/dbraw/zinc/86/01/26/888860126.db2.gz ISAQWCGLYORIFS-RYUDHWBXSA-N 2 1 258.362 -0.570 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC001338766036 889201993 /nfs/dbraw/zinc/20/19/93/889201993.db2.gz MJCLYZAKRQHEHS-GMTAPVOTSA-N 2 1 256.350 -0.911 20 0 CBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CO)[C@@H](C)C1 ZINC001340092316 889382326 /nfs/dbraw/zinc/38/23/26/889382326.db2.gz AELYAQICDSRSEP-XQQFMLRXSA-N 2 1 287.404 -0.441 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)C[N@H+]1C1CC1 ZINC001340242653 889414400 /nfs/dbraw/zinc/41/44/00/889414400.db2.gz VIZUEEFQSSZUJX-FXPVBKGRSA-N 2 1 255.362 -0.174 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001340283861 889419778 /nfs/dbraw/zinc/41/97/78/889419778.db2.gz ZMNYLOYEHSJDEL-LLVKDONJSA-N 2 1 257.378 -0.195 20 0 CBADMP [NH3+]C[C@@H](O)CC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC001340468296 889435931 /nfs/dbraw/zinc/43/59/31/889435931.db2.gz CREMTNKLQFGLHU-RYUDHWBXSA-N 2 1 264.329 -0.736 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CC(C)(C)[NH3+] ZINC001340596154 889451185 /nfs/dbraw/zinc/45/11/85/889451185.db2.gz POYQTZPOSGDJAH-MNOVXSKESA-N 2 1 254.378 -0.430 20 0 CBADMP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001340749199 889480063 /nfs/dbraw/zinc/48/00/63/889480063.db2.gz RZSYSCCYMPCPKM-OPRDCNLKSA-N 2 1 252.318 -0.448 20 0 CBADMP CN(C)c1cc(NC(=O)[C@@H]2C[NH2+]CCN2C)cc[nH+]1 ZINC001340882608 889502776 /nfs/dbraw/zinc/50/27/76/889502776.db2.gz YMJQTOCOBDUHRD-NSHDSACASA-N 2 1 263.345 -0.010 20 0 CBADMP CNC(=O)CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001340940755 889515772 /nfs/dbraw/zinc/51/57/72/889515772.db2.gz VHWHCNBFDFOTPL-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP [NH3+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001341232316 889561389 /nfs/dbraw/zinc/56/13/89/889561389.db2.gz LCLKIPVUAYSAEU-QWHCGFSZSA-N 2 1 269.389 -0.066 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001341395008 889589378 /nfs/dbraw/zinc/58/93/78/889589378.db2.gz HVIDHLWTNUVXOD-GFCCVEGCSA-N 2 1 272.393 -0.944 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001341395008 889589391 /nfs/dbraw/zinc/58/93/91/889589391.db2.gz HVIDHLWTNUVXOD-GFCCVEGCSA-N 2 1 272.393 -0.944 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC001341425316 889595150 /nfs/dbraw/zinc/59/51/50/889595150.db2.gz PTVNESRKUAYNRC-FRRDWIJNSA-N 2 1 263.341 -0.262 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001341626224 889635428 /nfs/dbraw/zinc/63/54/28/889635428.db2.gz DQTHPEKKQNQTBJ-KQXIARHKSA-N 2 1 269.389 -0.056 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC001341664678 889642892 /nfs/dbraw/zinc/64/28/92/889642892.db2.gz CYHQDFWYERDXGA-NEPJUHHUSA-N 2 1 264.329 -0.736 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC001341675285 889645238 /nfs/dbraw/zinc/64/52/38/889645238.db2.gz KDMLXWDHXRMUIY-SCRDCRAPSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC001341675285 889645246 /nfs/dbraw/zinc/64/52/46/889645246.db2.gz KDMLXWDHXRMUIY-SCRDCRAPSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH2+][C@@H](C)C1 ZINC001341764571 889660250 /nfs/dbraw/zinc/66/02/50/889660250.db2.gz INEOSWXDIPMXHN-QJPTWQEYSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@@H](NC(=O)C[NH2+]CC1CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001342036618 889703448 /nfs/dbraw/zinc/70/34/48/889703448.db2.gz QSKUNWDYAVLHDO-YPMHNXCESA-N 2 1 268.405 -0.264 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001443812946 912279442 /nfs/dbraw/zinc/27/94/42/912279442.db2.gz IFMXXXFCNGVXBN-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001443812946 912279459 /nfs/dbraw/zinc/27/94/59/912279459.db2.gz IFMXXXFCNGVXBN-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP COCC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001443837652 912285759 /nfs/dbraw/zinc/28/57/59/912285759.db2.gz GBLBCILDIOIUON-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP COCC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001443837652 912285775 /nfs/dbraw/zinc/28/57/75/912285775.db2.gz GBLBCILDIOIUON-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP C[C@@H](CNC(=O)CNCC[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001342172789 889722999 /nfs/dbraw/zinc/72/29/99/889722999.db2.gz JTDKFAVOBZKFMC-SDDRHHMPSA-N 2 1 272.393 -0.851 20 0 CBADMP C[C@@H](CNC(=O)CNCC[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001342172789 889723010 /nfs/dbraw/zinc/72/30/10/889723010.db2.gz JTDKFAVOBZKFMC-SDDRHHMPSA-N 2 1 272.393 -0.851 20 0 CBADMP CN1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC[N@H+](C)CC1 ZINC001342157826 889723809 /nfs/dbraw/zinc/72/38/09/889723809.db2.gz YDUMCCPYXOVPFC-ZDUSSCGKSA-N 2 1 268.405 -0.180 20 0 CBADMP CN1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC[N@@H+](C)CC1 ZINC001342157826 889723821 /nfs/dbraw/zinc/72/38/21/889723821.db2.gz YDUMCCPYXOVPFC-ZDUSSCGKSA-N 2 1 268.405 -0.180 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N[C@@]3(C)CC[NH2+]C3)cc2C[NH2+]1 ZINC001342181472 889725639 /nfs/dbraw/zinc/72/56/39/889725639.db2.gz BTQMCGGZXFDPNN-RNCFNFMXSA-N 2 1 263.345 -0.143 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001443853614 912293959 /nfs/dbraw/zinc/29/39/59/912293959.db2.gz XXWOSQGNUKRWHH-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001443853614 912293967 /nfs/dbraw/zinc/29/39/67/912293967.db2.gz XXWOSQGNUKRWHH-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001443853614 912293980 /nfs/dbraw/zinc/29/39/80/912293980.db2.gz XXWOSQGNUKRWHH-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001443853614 912293997 /nfs/dbraw/zinc/29/39/97/912293997.db2.gz XXWOSQGNUKRWHH-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001342251622 889739498 /nfs/dbraw/zinc/73/94/98/889739498.db2.gz SGWRVCQNYKJODN-YNEHKIRRSA-N 2 1 268.405 -0.136 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001443914121 912301383 /nfs/dbraw/zinc/30/13/83/912301383.db2.gz HCRRQXQXBQOGFD-GMTAPVOTSA-N 2 1 270.377 -0.704 20 0 CBADMP C[NH2+][C@H](C(=O)NCCC(C)(C)[NH3+])c1cnn(C)c1 ZINC001342366032 889761868 /nfs/dbraw/zinc/76/18/68/889761868.db2.gz UDHHPRXFNQCRMN-JTQLQIEISA-N 2 1 253.350 -0.076 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001342900889 889842249 /nfs/dbraw/zinc/84/22/49/889842249.db2.gz MBXOFFNFDMAZCW-SECBINFHSA-N 2 1 253.306 -0.711 20 0 CBADMP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001342994119 889851359 /nfs/dbraw/zinc/85/13/59/889851359.db2.gz LUGYUBLNTBPOLH-CIQGVGRVSA-N 2 1 269.389 -0.387 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@H]1C[NH2+]CC1(C)C)c1cnn(C)c1 ZINC001342983840 889852898 /nfs/dbraw/zinc/85/28/98/889852898.db2.gz ZTVWXMOVLFGVQR-WDEREUQCSA-N 2 1 265.361 -0.205 20 0 CBADMP Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)[C@H]1CC[NH2+]1 ZINC001343364833 889893991 /nfs/dbraw/zinc/89/39/91/889893991.db2.gz WDBBGFQRXVDQKC-SECBINFHSA-N 2 1 264.333 -0.996 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001343407693 889904053 /nfs/dbraw/zinc/90/40/53/889904053.db2.gz JNIKFMHYSOITMC-XSRFYTQQSA-N 2 1 255.362 -0.456 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001343474314 889916405 /nfs/dbraw/zinc/91/64/05/889916405.db2.gz VGAGYAFVZJWHRT-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP [NH3+]C1(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CCC1 ZINC001343566780 889930978 /nfs/dbraw/zinc/93/09/78/889930978.db2.gz KJVVAMBXEBWABR-NEPJUHHUSA-N 2 1 267.373 -0.075 20 0 CBADMP [NH3+]C1(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CCC1 ZINC001343566781 889932526 /nfs/dbraw/zinc/93/25/26/889932526.db2.gz KJVVAMBXEBWABR-NWDGAFQWSA-N 2 1 267.373 -0.075 20 0 CBADMP C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@H]1C[N@@H+](C)CCN1C ZINC001343581621 889936419 /nfs/dbraw/zinc/93/64/19/889936419.db2.gz CPMIKFJCWBRHLM-FRRDWIJNSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001343581621 889936441 /nfs/dbraw/zinc/93/64/41/889936441.db2.gz CPMIKFJCWBRHLM-FRRDWIJNSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@H]1CN(C)CC[N@H+]1C ZINC001343581621 889936454 /nfs/dbraw/zinc/93/64/54/889936454.db2.gz CPMIKFJCWBRHLM-FRRDWIJNSA-N 2 1 268.405 -0.264 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001444315350 912424578 /nfs/dbraw/zinc/42/45/78/912424578.db2.gz YOTRBHCQCVTHJM-FRRDWIJNSA-N 2 1 298.431 -0.195 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001444429448 912448230 /nfs/dbraw/zinc/44/82/30/912448230.db2.gz CKUOPZFWTWDKNA-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001344081541 889999195 /nfs/dbraw/zinc/99/91/95/889999195.db2.gz MJDIWRFDAFYPJC-IUCAKERBSA-N 2 1 251.334 -0.288 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](CCCO)CCO1 ZINC001444465458 912455043 /nfs/dbraw/zinc/45/50/43/912455043.db2.gz IIMJCYQYORHLRN-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[NH+](CCCO)CCO1 ZINC001444465458 912455058 /nfs/dbraw/zinc/45/50/58/912455058.db2.gz IIMJCYQYORHLRN-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001444465458 912455069 /nfs/dbraw/zinc/45/50/69/912455069.db2.gz IIMJCYQYORHLRN-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001444465458 912455075 /nfs/dbraw/zinc/45/50/75/912455075.db2.gz IIMJCYQYORHLRN-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001444601294 912477903 /nfs/dbraw/zinc/47/79/03/912477903.db2.gz XENMRCMUSCPATB-HBNTYKKESA-N 2 1 270.377 -0.752 20 0 CBADMP [NH3+]CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001344679444 890052129 /nfs/dbraw/zinc/05/21/29/890052129.db2.gz NTCHGRAFSHHGPY-BETUJISGSA-N 2 1 266.389 -0.238 20 0 CBADMP [NH3+]CCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001344679444 890052149 /nfs/dbraw/zinc/05/21/49/890052149.db2.gz NTCHGRAFSHHGPY-BETUJISGSA-N 2 1 266.389 -0.238 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001444638301 912485245 /nfs/dbraw/zinc/48/52/45/912485245.db2.gz RVVVCHSKLNQHQB-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C[NH3+])C(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001344849049 890072817 /nfs/dbraw/zinc/07/28/17/890072817.db2.gz YLPXJTNSGLVOHA-RNCFNFMXSA-N 2 1 263.345 -0.422 20 0 CBADMP 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 890124453 /nfs/dbraw/zinc/12/44/53/890124453.db2.gz MFNGQWBVZFAFCA-XWUBHJNHSA-N 2 1 267.373 -0.491 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001445026701 912546984 /nfs/dbraw/zinc/54/69/84/912546984.db2.gz LYRTUCUQPRKIJK-GFCCVEGCSA-N 2 1 284.404 -0.441 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001445026701 912547001 /nfs/dbraw/zinc/54/70/01/912547001.db2.gz LYRTUCUQPRKIJK-GFCCVEGCSA-N 2 1 284.404 -0.441 20 0 CBADMP C[N@H+]1C[C@@]23CN(C(=O)[C@H]([NH3+])CO)C[C@]2(C1)CCCC3 ZINC001346174639 890229775 /nfs/dbraw/zinc/22/97/75/890229775.db2.gz TXOQNQCARDYROR-BNOWGMLFSA-N 2 1 267.373 -0.360 20 0 CBADMP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001445144624 912577579 /nfs/dbraw/zinc/57/75/79/912577579.db2.gz BFXJNEVSSUZXSQ-STQMWFEESA-N 2 1 295.387 -0.919 20 0 CBADMP [NH3+]C1(CNC(=O)NCC[NH+]2CCSCC2)CC1 ZINC001346311188 890264285 /nfs/dbraw/zinc/26/42/85/890264285.db2.gz DCVPBSHWYXBSPK-UHFFFAOYSA-N 2 1 258.391 -0.174 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC001346317644 890267108 /nfs/dbraw/zinc/26/71/08/890267108.db2.gz AKMHQVGGMFHRKV-QWHCGFSZSA-N 2 1 268.405 -0.262 20 0 CBADMP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001445268564 912622301 /nfs/dbraw/zinc/62/23/01/912622301.db2.gz JFKBJTBNWXAHJT-VXGBXAGGSA-N 2 1 296.371 -0.499 20 0 CBADMP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)C[N@@H+](C)C(C)C ZINC001445335950 912637183 /nfs/dbraw/zinc/63/71/83/912637183.db2.gz WBCMIYOFPWRYCQ-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001445332746 912638471 /nfs/dbraw/zinc/63/84/71/912638471.db2.gz YQINNISRVVIZIM-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001445544262 912690890 /nfs/dbraw/zinc/69/08/90/912690890.db2.gz CZTMLZPZMRNPPC-DMDPSCGWSA-N 2 1 294.403 -0.250 20 0 CBADMP CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001445588313 912705955 /nfs/dbraw/zinc/70/59/55/912705955.db2.gz HMEKSSANCYPUPN-TUAOUCFPSA-N 2 1 284.404 -0.171 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001445582132 912704835 /nfs/dbraw/zinc/70/48/35/912704835.db2.gz MAFFEMFQCCLBIX-JQWIXIFHSA-N 2 1 293.371 -0.436 20 0 CBADMP CC[C@@H]([NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)C(N)=O ZINC001445655348 912729082 /nfs/dbraw/zinc/72/90/82/912729082.db2.gz KABDDUUQZLDKBH-WDEREUQCSA-N 2 1 272.393 -0.315 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)NC ZINC001445844189 912770589 /nfs/dbraw/zinc/77/05/89/912770589.db2.gz VUROGYPRKIQOKW-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H](C)C(=O)NC ZINC001445844189 912770553 /nfs/dbraw/zinc/77/05/53/912770553.db2.gz VUROGYPRKIQOKW-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H](C)C(=O)NC ZINC001445844189 912770569 /nfs/dbraw/zinc/77/05/69/912770569.db2.gz VUROGYPRKIQOKW-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(=O)NC ZINC001445844189 912770583 /nfs/dbraw/zinc/77/05/83/912770583.db2.gz VUROGYPRKIQOKW-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001445864327 912774595 /nfs/dbraw/zinc/77/45/95/912774595.db2.gz BBPRQDHBMZCGJN-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001445864327 912774601 /nfs/dbraw/zinc/77/46/01/912774601.db2.gz BBPRQDHBMZCGJN-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@@H]3CCOC3)CC2)C1 ZINC001446152371 912822892 /nfs/dbraw/zinc/82/28/92/912822892.db2.gz QRUUXOFQHAJRTJ-STQMWFEESA-N 2 1 297.399 -0.408 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@@H]3CCOC3)CC2)C1 ZINC001446152371 912822908 /nfs/dbraw/zinc/82/29/08/912822908.db2.gz QRUUXOFQHAJRTJ-STQMWFEESA-N 2 1 297.399 -0.408 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152426162 884676788 /nfs/dbraw/zinc/67/67/88/884676788.db2.gz DXWKXDDIHCCRHY-NSHDSACASA-N 2 1 261.366 -0.960 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001152426317 884676776 /nfs/dbraw/zinc/67/67/76/884676776.db2.gz FZUJAYPIVMOFQY-UHFFFAOYSA-N 2 1 258.366 -0.879 20 0 CBADMP CN(C)C(=O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001446264408 912851880 /nfs/dbraw/zinc/85/18/80/912851880.db2.gz FDAHEFPVOIFRNN-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176565785 884704247 /nfs/dbraw/zinc/70/42/47/884704247.db2.gz XHVZGVHOVWNKML-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1)C(N)=O ZINC001188158543 884721865 /nfs/dbraw/zinc/72/18/65/884721865.db2.gz SNDLVJQGMIDWND-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC)C[C@H]1C ZINC001210041058 884759491 /nfs/dbraw/zinc/75/94/91/884759491.db2.gz OVYFVLSJQLXTKW-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1C ZINC001210041058 884759503 /nfs/dbraw/zinc/75/95/03/884759503.db2.gz OVYFVLSJQLXTKW-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1C ZINC001210041058 884759516 /nfs/dbraw/zinc/75/95/16/884759516.db2.gz OVYFVLSJQLXTKW-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212416341 884775924 /nfs/dbraw/zinc/77/59/24/884775924.db2.gz JOQONMNJGQLFCU-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212416341 884775927 /nfs/dbraw/zinc/77/59/27/884775927.db2.gz JOQONMNJGQLFCU-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212416341 884775933 /nfs/dbraw/zinc/77/59/33/884775933.db2.gz JOQONMNJGQLFCU-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212416341 884775938 /nfs/dbraw/zinc/77/59/38/884775938.db2.gz JOQONMNJGQLFCU-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378378 884778547 /nfs/dbraw/zinc/77/85/47/884778547.db2.gz OKAZSZDRQZEGDB-JHJVBQTASA-N 2 1 287.404 -0.212 20 0 CBADMP COC[C@H](O)C[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001446400850 912876461 /nfs/dbraw/zinc/87/64/61/912876461.db2.gz SYJKIGCEJVWSGB-GXTWGEPZSA-N 2 1 299.415 -0.522 20 0 CBADMP COC[C@H](O)C[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001446400850 912876486 /nfs/dbraw/zinc/87/64/86/912876486.db2.gz SYJKIGCEJVWSGB-GXTWGEPZSA-N 2 1 299.415 -0.522 20 0 CBADMP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001326135627 884919847 /nfs/dbraw/zinc/91/98/47/884919847.db2.gz XZBMZDOXGINPND-CHWSQXEVSA-N 2 1 287.404 -0.881 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001326182111 884933336 /nfs/dbraw/zinc/93/33/36/884933336.db2.gz FHTQEEMBXGEORY-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP Cn1cc(C[NH+]2CCC([NH3+])CC2)c(=O)n(C)c1=O ZINC001326221930 884946022 /nfs/dbraw/zinc/94/60/22/884946022.db2.gz LHFZBCNORLPITF-UHFFFAOYSA-N 2 1 252.318 -0.993 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001446420911 912880859 /nfs/dbraw/zinc/88/08/59/912880859.db2.gz PVVZWGVEIPNCES-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH2+][C@@H](C(=O)NCCCN1CC[NH2+]CC1)c1cnn(C)c1 ZINC001326281465 884968123 /nfs/dbraw/zinc/96/81/23/884968123.db2.gz AHPLEETVXBELSE-CYBMUJFWSA-N 2 1 294.403 -0.908 20 0 CBADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC001326278084 884969069 /nfs/dbraw/zinc/96/90/69/884969069.db2.gz SGJNEJRCPPAZQW-UHFFFAOYSA-N 3 1 266.389 -0.506 20 0 CBADMP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)N1CCNCC1 ZINC001326278084 884969094 /nfs/dbraw/zinc/96/90/94/884969094.db2.gz SGJNEJRCPPAZQW-UHFFFAOYSA-N 2 1 266.389 -0.506 20 0 CBADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N1CCNCC1 ZINC001326278084 884969116 /nfs/dbraw/zinc/96/91/16/884969116.db2.gz SGJNEJRCPPAZQW-UHFFFAOYSA-N 2 1 266.389 -0.506 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001326299667 884976780 /nfs/dbraw/zinc/97/67/80/884976780.db2.gz TXTGHVXYDFMMLS-VWYCJHECSA-N 2 1 269.345 -0.380 20 0 CBADMP C[C@H](C(=O)N[C@H]1CCC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC001326306177 884981330 /nfs/dbraw/zinc/98/13/30/884981330.db2.gz OCTOFUSIDWAVGP-OLZOCXBDSA-N 2 1 268.405 -0.119 20 0 CBADMP [NH3+]C[C@@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1 ZINC001326360698 885004425 /nfs/dbraw/zinc/00/44/25/885004425.db2.gz ABCNSBGSLXHLSN-UWVGGRQHSA-N 2 1 263.345 -0.093 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC001326375119 885010699 /nfs/dbraw/zinc/01/06/99/885010699.db2.gz GYUGMZTYYOAGSD-DTWKUNHWSA-N 2 1 263.345 -0.135 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)c1cnn(C)c1 ZINC001326393938 885014135 /nfs/dbraw/zinc/01/41/35/885014135.db2.gz IFTZTRLFAMUOOW-PWSUYJOCSA-N 2 1 265.361 -0.252 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)c1cnn(C)c1 ZINC001326393938 885014142 /nfs/dbraw/zinc/01/41/42/885014142.db2.gz IFTZTRLFAMUOOW-PWSUYJOCSA-N 2 1 265.361 -0.252 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001446458696 912888761 /nfs/dbraw/zinc/88/87/61/912888761.db2.gz GDYDTDDHLJZBMF-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC001326473634 885039354 /nfs/dbraw/zinc/03/93/54/885039354.db2.gz MSBFTYIQIPRTAS-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)N1CC[NH+](C)CC1 ZINC001326582824 885073249 /nfs/dbraw/zinc/07/32/49/885073249.db2.gz SIMKKEJSFSOWAU-AGIUHOORSA-N 2 1 268.405 -0.182 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001326783946 885143326 /nfs/dbraw/zinc/14/33/26/885143326.db2.gz NYACPSGAVNOYRE-UHFFFAOYSA-N 2 1 291.359 -0.048 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCO)CCC1 ZINC001326798982 885153510 /nfs/dbraw/zinc/15/35/10/885153510.db2.gz QISUOEUWRCSFGQ-NSHDSACASA-N 2 1 255.362 -0.299 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCOCCO)CCC1 ZINC001326865460 885177399 /nfs/dbraw/zinc/17/73/99/885177399.db2.gz WUMJZWVFSMVXHV-CYBMUJFWSA-N 2 1 299.415 -0.282 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H](C[NH2+]CCF)C1 ZINC001327063565 885239518 /nfs/dbraw/zinc/23/95/18/885239518.db2.gz LJIMARYRRPEGET-LBPRGKRZSA-N 2 1 284.335 -0.022 20 0 CBADMP C[NH2+]C1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC001327087058 885252562 /nfs/dbraw/zinc/25/25/62/885252562.db2.gz LCTNKJLELCTHJJ-LBPRGKRZSA-N 2 1 268.405 -0.167 20 0 CBADMP C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001327088707 885254404 /nfs/dbraw/zinc/25/44/04/885254404.db2.gz AGXLVCFMMVXASA-OAGGEKHMSA-N 2 1 294.443 -0.171 20 0 CBADMP C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001327088707 885254424 /nfs/dbraw/zinc/25/44/24/885254424.db2.gz AGXLVCFMMVXASA-OAGGEKHMSA-N 2 1 294.443 -0.171 20 0 CBADMP C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001327088707 885254447 /nfs/dbraw/zinc/25/44/47/885254447.db2.gz AGXLVCFMMVXASA-OAGGEKHMSA-N 2 1 294.443 -0.171 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001446615819 912914489 /nfs/dbraw/zinc/91/44/89/912914489.db2.gz VLWCVYFSMRUFCL-AWEZNQCLSA-N 2 1 293.371 -0.495 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)COCC[NH3+])CC1 ZINC001327180506 885276075 /nfs/dbraw/zinc/27/60/75/885276075.db2.gz IBQBNJFOCDTSGY-UHFFFAOYSA-N 2 1 272.393 -0.895 20 0 CBADMP C([N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC001327642420 885440301 /nfs/dbraw/zinc/44/03/01/885440301.db2.gz IFKANRIEQBTHHQ-MCIONIFRSA-N 3 1 250.390 -0.425 20 0 CBADMP C([N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC001327642420 885440302 /nfs/dbraw/zinc/44/03/02/885440302.db2.gz IFKANRIEQBTHHQ-MCIONIFRSA-N 3 1 250.390 -0.425 20 0 CBADMP OC[C@@H]1CCC[N@@H+]1Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001327786262 885477286 /nfs/dbraw/zinc/47/72/86/885477286.db2.gz RCQGGXIFDIBAOP-NEPJUHHUSA-N 2 1 251.334 -0.231 20 0 CBADMP OC[C@@H]1CCC[N@H+]1Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001327786262 885477289 /nfs/dbraw/zinc/47/72/89/885477289.db2.gz RCQGGXIFDIBAOP-NEPJUHHUSA-N 2 1 251.334 -0.231 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC001327829914 885489608 /nfs/dbraw/zinc/48/96/08/885489608.db2.gz OUUVQCNOHDALLQ-DCAQKATOSA-N 2 1 268.361 -0.937 20 0 CBADMP C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])C1=CC[N@@H+](C)CC1 ZINC001327834448 885493016 /nfs/dbraw/zinc/49/30/16/885493016.db2.gz KORJQPGIDPCIDR-LLVKDONJSA-N 2 1 282.388 -0.440 20 0 CBADMP COC[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001327913796 885522944 /nfs/dbraw/zinc/52/29/44/885522944.db2.gz RQAHFWSTJLZTMJ-QWHCGFSZSA-N 2 1 258.362 -0.475 20 0 CBADMP COC[C@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001327913796 885522951 /nfs/dbraw/zinc/52/29/51/885522951.db2.gz RQAHFWSTJLZTMJ-QWHCGFSZSA-N 2 1 258.362 -0.475 20 0 CBADMP CC[NH+]1CCN(CCCC[NH2+]CCC(N)=O)CC1 ZINC001327977523 885546230 /nfs/dbraw/zinc/54/62/30/885546230.db2.gz GXQCTKVXKKYCHU-UHFFFAOYSA-N 2 1 256.394 -0.131 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[N@H+]1C ZINC001328454283 885694182 /nfs/dbraw/zinc/69/41/82/885694182.db2.gz DXAWABSEIGFXCO-KKOKHZNYSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@@H](C(=O)N(C)C1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC001328478064 885702487 /nfs/dbraw/zinc/70/24/87/885702487.db2.gz LGBAAGBOCKOELB-LBPRGKRZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC001328770781 885809248 /nfs/dbraw/zinc/80/92/48/885809248.db2.gz YEYJUFCFSIVYDZ-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCCOCC[NH+](C)C ZINC001447025521 913001207 /nfs/dbraw/zinc/00/12/07/913001207.db2.gz CPLZHPNXHYCQOY-UHFFFAOYSA-N 2 1 254.334 -0.114 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CCCO)C2)C1 ZINC001447039234 913002432 /nfs/dbraw/zinc/00/24/32/913002432.db2.gz KFBIHJMAIIVDQI-ZFWWWQNUSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(CO)CCC[N@H+](CCCO)C2)C1 ZINC001447039234 913002449 /nfs/dbraw/zinc/00/24/49/913002449.db2.gz KFBIHJMAIIVDQI-ZFWWWQNUSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCCO)C2)C1 ZINC001447039234 913002466 /nfs/dbraw/zinc/00/24/66/913002466.db2.gz KFBIHJMAIIVDQI-ZFWWWQNUSA-N 2 1 299.415 -0.736 20 0 CBADMP C[N@H+]1CCN(CC(=O)N2CC[NH2+]CC2)C(C)(C)C1 ZINC001329540855 886115391 /nfs/dbraw/zinc/11/53/91/886115391.db2.gz QJZSPKYIFMTVKU-UHFFFAOYSA-N 2 1 254.378 -0.556 20 0 CBADMP CCOCC[NH+]1CCN(CC(=O)N2CC[NH2+]CC2)CC1 ZINC001329579881 886131667 /nfs/dbraw/zinc/13/16/67/886131667.db2.gz PYQPTUGDRNTHOZ-UHFFFAOYSA-N 2 1 284.404 -0.928 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)C1 ZINC001329703288 886181909 /nfs/dbraw/zinc/18/19/09/886181909.db2.gz LKPIBIGJNIMQKF-ZDEQEGDKSA-N 2 1 294.399 -0.702 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCCN2CC[NH+](C)CC2)C1 ZINC001329757636 886199282 /nfs/dbraw/zinc/19/92/82/886199282.db2.gz GFTKFAZXTDVOQQ-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001329838261 886233280 /nfs/dbraw/zinc/23/32/80/886233280.db2.gz OLCQNRJJJNQEIN-RYUDHWBXSA-N 2 1 298.431 -0.053 20 0 CBADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001329926423 886281406 /nfs/dbraw/zinc/28/14/06/886281406.db2.gz SKWRGKFSLIARPF-ZIAGYGMSSA-N 3 1 280.416 -0.513 20 0 CBADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001329926421 886282959 /nfs/dbraw/zinc/28/29/59/886282959.db2.gz SKWRGKFSLIARPF-UONOGXRCSA-N 3 1 280.416 -0.513 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001330024516 886330352 /nfs/dbraw/zinc/33/03/52/886330352.db2.gz RFTDWLJVOICEBO-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001330604337 886498625 /nfs/dbraw/zinc/49/86/25/886498625.db2.gz ZBCMSRRCSYOXPY-LLVKDONJSA-N 2 1 252.318 -0.232 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC1(C[NH3+])CCOCC1 ZINC001330608665 886501891 /nfs/dbraw/zinc/50/18/91/886501891.db2.gz TXTMQRJTMABPDN-UHFFFAOYSA-N 2 1 252.318 -0.184 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3=NO[C@H](C[NH3+])C3)CC[C@@H]21 ZINC001330641126 886515511 /nfs/dbraw/zinc/51/55/11/886515511.db2.gz PTHQVCLYHGJBDX-SCVCMEIPSA-N 2 1 266.345 -0.357 20 0 CBADMP C[C@H](O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001447327557 913059205 /nfs/dbraw/zinc/05/92/05/913059205.db2.gz WRZBEHVJJCDSNB-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001447327557 913059212 /nfs/dbraw/zinc/05/92/12/913059212.db2.gz WRZBEHVJJCDSNB-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@H](O)C[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001447327557 913059222 /nfs/dbraw/zinc/05/92/22/913059222.db2.gz WRZBEHVJJCDSNB-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@H](O)C[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001447327557 913059228 /nfs/dbraw/zinc/05/92/28/913059228.db2.gz WRZBEHVJJCDSNB-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001330860725 886600589 /nfs/dbraw/zinc/60/05/89/886600589.db2.gz RGKRJMXCHGZTGQ-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001330862187 886601965 /nfs/dbraw/zinc/60/19/65/886601965.db2.gz OQECGOBSNRXDLZ-MNOVXSKESA-N 2 1 295.387 -0.203 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001330870093 886606601 /nfs/dbraw/zinc/60/66/01/886606601.db2.gz JVFKJFFLPDZYRP-SRVKXCTJSA-N 2 1 282.388 -0.417 20 0 CBADMP COCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC001330880002 886612604 /nfs/dbraw/zinc/61/26/04/886612604.db2.gz NYXDOKXDZNJCLI-NSHDSACASA-N 2 1 259.350 -0.811 20 0 CBADMP COCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC001330880002 886612607 /nfs/dbraw/zinc/61/26/07/886612607.db2.gz NYXDOKXDZNJCLI-NSHDSACASA-N 2 1 259.350 -0.811 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC001331065651 886665490 /nfs/dbraw/zinc/66/54/90/886665490.db2.gz DKAVHRDUFGESTJ-SRVKXCTJSA-N 2 1 254.378 -0.524 20 0 CBADMP C[N@@H+](CCC(N)=O)CC(=O)NC1CC[NH+](C)CC1 ZINC001331108634 886676065 /nfs/dbraw/zinc/67/60/65/886676065.db2.gz DFUMFKOGMCFUEJ-UHFFFAOYSA-N 2 1 256.350 -0.996 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331141635 886692321 /nfs/dbraw/zinc/69/23/21/886692321.db2.gz WOYUUZDKVIFDHJ-HAQNSBGRSA-N 2 1 284.404 -0.312 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@@H]1C ZINC001331195449 886724262 /nfs/dbraw/zinc/72/42/62/886724262.db2.gz FVFOLKOHPMQUHF-CYDGBPFRSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@@H]1C ZINC001331195449 886724273 /nfs/dbraw/zinc/72/42/73/886724273.db2.gz FVFOLKOHPMQUHF-CYDGBPFRSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001447458789 913083734 /nfs/dbraw/zinc/08/37/34/913083734.db2.gz UGLTUZTUSINAMZ-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001447458789 913083749 /nfs/dbraw/zinc/08/37/49/913083749.db2.gz UGLTUZTUSINAMZ-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CCF)C2)C1 ZINC001447473824 913083982 /nfs/dbraw/zinc/08/39/82/913083982.db2.gz MNCCWQDLJKOACO-TZMCWYRMSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001331514721 886828076 /nfs/dbraw/zinc/82/80/76/886828076.db2.gz WTRGYVAJGSZUBR-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001447458783 913085799 /nfs/dbraw/zinc/08/57/99/913085799.db2.gz UGLTUZTUSINAMZ-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001447458783 913085809 /nfs/dbraw/zinc/08/58/09/913085809.db2.gz UGLTUZTUSINAMZ-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001331572519 886850169 /nfs/dbraw/zinc/85/01/69/886850169.db2.gz BQEYHDCELJZMJQ-WISYIIOYSA-N 2 1 282.388 -0.467 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001331572515 886850421 /nfs/dbraw/zinc/85/04/21/886850421.db2.gz BQEYHDCELJZMJQ-DDHJBXDOSA-N 2 1 282.388 -0.467 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001331729135 886942317 /nfs/dbraw/zinc/94/23/17/886942317.db2.gz AWTRJZSBMBUJQS-CMPLNLGQSA-N 2 1 293.371 -0.578 20 0 CBADMP Cn1cncc1CC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC001331759583 886961555 /nfs/dbraw/zinc/96/15/55/886961555.db2.gz OWIOCMRYJTWKFP-SNVBAGLBSA-N 2 1 258.347 -0.675 20 0 CBADMP Cn1cncc1CCN1CC[C@@H](S(N)(=O)=O)C1 ZINC001331759583 886961564 /nfs/dbraw/zinc/96/15/64/886961564.db2.gz OWIOCMRYJTWKFP-SNVBAGLBSA-N 2 1 258.347 -0.675 20 0 CBADMP C[C@H](O)[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC001331771618 886968862 /nfs/dbraw/zinc/96/88/62/886968862.db2.gz SECQRTKXJJEQGX-RYUDHWBXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)C1CC1 ZINC001332267646 887179295 /nfs/dbraw/zinc/17/92/95/887179295.db2.gz PVKNKAZWTBAIRD-CHWSQXEVSA-N 2 1 294.399 -0.450 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001332288866 887187575 /nfs/dbraw/zinc/18/75/75/887187575.db2.gz USRUFOOIPNFGMT-QNWHQSFQSA-N 2 1 294.399 -0.417 20 0 CBADMP O=C1[C@H](N2CC[NH2+]CC[NH2+]CC2)CCN1C1CCOCC1 ZINC001332363019 887228356 /nfs/dbraw/zinc/22/83/56/887228356.db2.gz AIZDBMZMLIVSTQ-CQSZACIVSA-N 2 1 296.415 -0.739 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001332390619 887249679 /nfs/dbraw/zinc/24/96/79/887249679.db2.gz HHIKNEYIMYODLE-AVGNSLFASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1C[NH2+]C1 ZINC001332399588 887260486 /nfs/dbraw/zinc/26/04/86/887260486.db2.gz DRCOKHKHVFHPKL-CMPLNLGQSA-N 2 1 267.373 -0.131 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001332423544 887272837 /nfs/dbraw/zinc/27/28/37/887272837.db2.gz DVJBEABCTMHAPR-NWDGAFQWSA-N 3 1 254.378 -0.665 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001332423544 887272856 /nfs/dbraw/zinc/27/28/56/887272856.db2.gz DVJBEABCTMHAPR-NWDGAFQWSA-N 3 1 254.378 -0.665 20 0 CBADMP C[NH2+][C@@H](C(=O)NCC1=CC[NH2+]CC1)c1cnn(C)c1 ZINC001332431258 887279101 /nfs/dbraw/zinc/27/91/01/887279101.db2.gz CFOOZGXFWHMKQC-GFCCVEGCSA-N 2 1 263.345 -0.284 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@H](C)CCC[NH3+])c1cnn(C)c1 ZINC001332435633 887282691 /nfs/dbraw/zinc/28/26/91/887282691.db2.gz IAIIPGLPTLPZSV-MWLCHTKSSA-N 2 1 253.350 -0.076 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CC(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001447822843 913135603 /nfs/dbraw/zinc/13/56/03/913135603.db2.gz KIQFASNZBIGZTD-UNXYVOJBSA-N 2 1 284.404 -0.315 20 0 CBADMP CN(C[C@@H](O)C[NH2+]CCCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001332591163 887369605 /nfs/dbraw/zinc/36/96/05/887369605.db2.gz DNCOXEHERVCCAI-OLZOCXBDSA-N 2 1 287.404 -0.881 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC[N@H+]1C ZINC001332694793 887409577 /nfs/dbraw/zinc/40/95/77/887409577.db2.gz YQWSENJZMDUWDO-RYUDHWBXSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC001333380012 887616629 /nfs/dbraw/zinc/61/66/29/887616629.db2.gz WBIOOIRVZHELIM-AGIUHOORSA-N 2 1 294.399 -0.593 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001333405551 887624933 /nfs/dbraw/zinc/62/49/33/887624933.db2.gz MSJYKAGOUODFSI-AVGNSLFASA-N 2 1 294.399 -0.560 20 0 CBADMP CNC(=O)C[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001333448571 887644897 /nfs/dbraw/zinc/64/48/97/887644897.db2.gz UNRGWRZNYKEAFA-UHFFFAOYSA-N 2 1 294.399 -0.424 20 0 CBADMP CNC(=O)C[N@@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001333448571 887644913 /nfs/dbraw/zinc/64/49/13/887644913.db2.gz UNRGWRZNYKEAFA-UHFFFAOYSA-N 2 1 294.399 -0.424 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001447937371 913171780 /nfs/dbraw/zinc/17/17/80/913171780.db2.gz NPOMAULBMWERDI-GHMZBOCLSA-N 2 1 295.387 -0.237 20 0 CBADMP C[C@@H](CO)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001333621855 887718786 /nfs/dbraw/zinc/71/87/86/887718786.db2.gz IBZCOAYLHBLLCI-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP Cn1nnnc1CCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001333826232 887782250 /nfs/dbraw/zinc/78/22/50/887782250.db2.gz LRDKHIWHUBTQRS-CYBMUJFWSA-N 2 1 294.403 -0.014 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001333959293 887821023 /nfs/dbraw/zinc/82/10/23/887821023.db2.gz MSJYKAGOUODFSI-FRRDWIJNSA-N 2 1 294.399 -0.560 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC001333959040 887821831 /nfs/dbraw/zinc/82/18/31/887821831.db2.gz HZSVJJDJNZKYHD-PHIMTYICSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001448095293 913213930 /nfs/dbraw/zinc/21/39/30/913213930.db2.gz ULJQBMDHKPPXKE-RYUDHWBXSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001448095293 913213954 /nfs/dbraw/zinc/21/39/54/913213954.db2.gz ULJQBMDHKPPXKE-RYUDHWBXSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCOC)C1 ZINC001448145502 913232668 /nfs/dbraw/zinc/23/26/68/913232668.db2.gz IPNXVFOMRWCLET-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCOC)C1 ZINC001448145502 913232688 /nfs/dbraw/zinc/23/26/88/913232688.db2.gz IPNXVFOMRWCLET-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCOC)C1 ZINC001448145502 913232702 /nfs/dbraw/zinc/23/27/02/913232702.db2.gz IPNXVFOMRWCLET-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCOC)C1 ZINC001448145502 913232721 /nfs/dbraw/zinc/23/27/21/913232721.db2.gz IPNXVFOMRWCLET-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001334774227 888321443 /nfs/dbraw/zinc/32/14/43/888321443.db2.gz GVFUYCXBVPMWDQ-QWHCGFSZSA-N 3 1 268.405 -0.146 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001335202907 888441978 /nfs/dbraw/zinc/44/19/78/888441978.db2.gz SBFUQPWLCJTQRL-MNOVXSKESA-N 2 1 257.382 -0.779 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC001335326428 888499964 /nfs/dbraw/zinc/49/99/64/888499964.db2.gz GQWNLGKDWVJGID-LBPRGKRZSA-N 2 1 270.377 -0.159 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCNCC[NH2+]CC1 ZINC001335350280 888510142 /nfs/dbraw/zinc/51/01/42/888510142.db2.gz GDFSJTPRRULREB-KBPBESRZSA-N 2 1 295.431 -0.182 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCNCC[NH2+]CC1 ZINC001335352891 888514421 /nfs/dbraw/zinc/51/44/21/888514421.db2.gz WERGZPVYOAHINC-ZDUSSCGKSA-N 2 1 295.431 -0.325 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001335378756 888520091 /nfs/dbraw/zinc/52/00/91/888520091.db2.gz JIQLYEWULTXAGK-SDDRHHMPSA-N 2 1 284.404 -0.267 20 0 CBADMP C[C@@H](CNC(=O)N1CCNCC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC001335413079 888525414 /nfs/dbraw/zinc/52/54/14/888525414.db2.gz LVIFVFUBAPWSMF-LBPRGKRZSA-N 2 1 283.420 -0.327 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC[N@H+]1C ZINC001335752323 888621716 /nfs/dbraw/zinc/62/17/16/888621716.db2.gz WXRXEISEFRYXEZ-WISYIIOYSA-N 2 1 282.388 -0.561 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001335788961 888629212 /nfs/dbraw/zinc/62/92/12/888629212.db2.gz ONYHMKZGATVGQR-FRRDWIJNSA-N 2 1 268.405 -0.182 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001335911873 888651576 /nfs/dbraw/zinc/65/15/76/888651576.db2.gz RMOQLAZVPWROED-FRRDWIJNSA-N 2 1 282.388 -0.099 20 0 CBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C(N)=O)CC1 ZINC001335965666 888663011 /nfs/dbraw/zinc/66/30/11/888663011.db2.gz IZTXICKAVGXEGX-UHFFFAOYSA-N 2 1 263.301 -0.743 20 0 CBADMP CN1CCN(C[C@H](O)C[NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC001335969257 888663177 /nfs/dbraw/zinc/66/31/77/888663177.db2.gz RXMHEYUBSKMEBL-OAHLLOKOSA-N 2 1 298.475 -0.084 20 0 CBADMP C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)[C@H]1C[NH+](C)CCN1C ZINC001335987267 888665681 /nfs/dbraw/zinc/66/56/81/888665681.db2.gz SMRHBRYMGKEFGL-AEGPPILISA-N 2 1 284.448 -0.335 20 0 CBADMP C[C@H](NC[C@H](O)C[NH+](C)C1CC1)[C@H]1C[N@H+](C)CCN1C ZINC001335987267 888665687 /nfs/dbraw/zinc/66/56/87/888665687.db2.gz SMRHBRYMGKEFGL-AEGPPILISA-N 2 1 284.448 -0.335 20 0 CBADMP C[C@H](NC[C@H](O)C[NH+](C)C1CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001335987267 888665695 /nfs/dbraw/zinc/66/56/95/888665695.db2.gz SMRHBRYMGKEFGL-AEGPPILISA-N 2 1 284.448 -0.335 20 0 CBADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCNCC[NH2+]CC1 ZINC001336094533 888691669 /nfs/dbraw/zinc/69/16/69/888691669.db2.gz KRXWLLLDQSEQSB-AWEZNQCLSA-N 2 1 282.432 -0.360 20 0 CBADMP C[N@H+]1CCCN(CCC[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001336749295 888867676 /nfs/dbraw/zinc/86/76/76/888867676.db2.gz ALFZIHDCGIVRDB-OAHLLOKOSA-N 2 1 295.431 -0.139 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CCNc1cnccn1)C1CC1 ZINC001336757053 888870622 /nfs/dbraw/zinc/87/06/22/888870622.db2.gz XMHNRSQHODNDOI-GFCCVEGCSA-N 2 1 265.361 -0.067 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CCNc1cnccn1)C1CC1 ZINC001336757053 888870632 /nfs/dbraw/zinc/87/06/32/888870632.db2.gz XMHNRSQHODNDOI-GFCCVEGCSA-N 2 1 265.361 -0.067 20 0 CBADMP CCN1C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1=O ZINC001336778145 888878134 /nfs/dbraw/zinc/87/81/34/888878134.db2.gz FOKLBVDEJBVBJD-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP CCN1C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC001336778145 888878141 /nfs/dbraw/zinc/87/81/41/888878141.db2.gz FOKLBVDEJBVBJD-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)C2(O)CCCC2)C1 ZINC001336794248 888884298 /nfs/dbraw/zinc/88/42/98/888884298.db2.gz JFGBHWKTPWVVPO-NWDGAFQWSA-N 2 1 258.362 -0.691 20 0 CBADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)C2(O)CCCC2)C1 ZINC001336794248 888884313 /nfs/dbraw/zinc/88/43/13/888884313.db2.gz JFGBHWKTPWVVPO-NWDGAFQWSA-N 2 1 258.362 -0.691 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC001336977994 888940453 /nfs/dbraw/zinc/94/04/53/888940453.db2.gz OGVKLAIIDBTALV-GHMZBOCLSA-N 2 1 259.350 -0.813 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001336990777 888944032 /nfs/dbraw/zinc/94/40/32/888944032.db2.gz PBEJCDVIZUBVRC-WGBDABJCSA-N 2 1 268.361 -0.755 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC001337359409 888995850 /nfs/dbraw/zinc/99/58/50/888995850.db2.gz VJWBEZWKJGIDTD-KKOKHZNYSA-N 2 1 282.388 -0.561 20 0 CBADMP CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC001337420180 889005703 /nfs/dbraw/zinc/00/57/03/889005703.db2.gz HCUVYZJEDQIDMW-AAEUAGOBSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC001337517151 889027815 /nfs/dbraw/zinc/02/78/15/889027815.db2.gz XINJRWFNCRCOOM-WUHRBBMRSA-N 2 1 294.399 -0.608 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1[NH2+]CC12CCOCC2 ZINC001339769242 889321634 /nfs/dbraw/zinc/32/16/34/889321634.db2.gz VXBSMPQABVCLAN-CYBMUJFWSA-N 2 1 297.399 -0.407 20 0 CBADMP CC(C)c1[nH+]ccn1CCNC(=O)C[C@@H](O)C[NH3+] ZINC001340044100 889368540 /nfs/dbraw/zinc/36/85/40/889368540.db2.gz GEUQCASNABJEPF-SNVBAGLBSA-N 2 1 254.334 -0.168 20 0 CBADMP CN1CC[NH+](CCCNC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001340112094 889387013 /nfs/dbraw/zinc/38/70/13/889387013.db2.gz MCKDNOJWYSBPRZ-OAHLLOKOSA-N 2 1 298.431 -0.755 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)[C@H](C)C[NH2+]1 ZINC001340127397 889389639 /nfs/dbraw/zinc/38/96/39/889389639.db2.gz AWMVFGCSCQZUAY-NDBYEHHHSA-N 2 1 266.389 -0.417 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CNCC[NH3+] ZINC001340191267 889405811 /nfs/dbraw/zinc/40/58/11/889405811.db2.gz SCLIEFYSVYGQNQ-VXGBXAGGSA-N 2 1 256.394 -0.229 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001340239807 889413564 /nfs/dbraw/zinc/41/35/64/889413564.db2.gz CCCSRBVJXLRFPO-OUCADQQQSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340248233 889415023 /nfs/dbraw/zinc/41/50/23/889415023.db2.gz HRRSPHNBUUQXNQ-HIFRSBDPSA-N 2 1 298.431 -0.757 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[C@@H](O)C[NH3+])C1 ZINC001340356382 889425587 /nfs/dbraw/zinc/42/55/87/889425587.db2.gz BYZSYECQVYPAFD-QJPTWQEYSA-N 2 1 255.362 -0.361 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C)c1cnn(C)c1 ZINC001340366042 889427819 /nfs/dbraw/zinc/42/78/19/889427819.db2.gz YURWUDWHXRJRHC-DCAQKATOSA-N 2 1 265.361 -0.077 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001340467730 889437432 /nfs/dbraw/zinc/43/74/32/889437432.db2.gz BKRJVZCJICLRAT-UTUOFQBUSA-N 2 1 268.405 -0.136 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001340597587 889450697 /nfs/dbraw/zinc/45/06/97/889450697.db2.gz YVWHBZJNGPFKNW-UTUOFQBUSA-N 2 1 255.362 -0.171 20 0 CBADMP [NH3+]CCNCC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001340645374 889458927 /nfs/dbraw/zinc/45/89/27/889458927.db2.gz IBGLKLIVMXTEJN-CHWSQXEVSA-N 2 1 296.415 -0.706 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001340735734 889477226 /nfs/dbraw/zinc/47/72/26/889477226.db2.gz PGXXRXNOHQSJJL-GHMZBOCLSA-N 2 1 253.346 -0.282 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001340774510 889483875 /nfs/dbraw/zinc/48/38/75/889483875.db2.gz RVLUDTFIOQMVMV-HIFRSBDPSA-N 2 1 297.399 -0.549 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001340806449 889489655 /nfs/dbraw/zinc/48/96/55/889489655.db2.gz DWSLLWQVIVVTQV-SNVBAGLBSA-N 2 1 254.334 -0.204 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)C1 ZINC001340821810 889492344 /nfs/dbraw/zinc/49/23/44/889492344.db2.gz CMWDKMRMGYDLOR-WDEREUQCSA-N 2 1 257.378 -0.069 20 0 CBADMP CCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001340893942 889509906 /nfs/dbraw/zinc/50/99/06/889509906.db2.gz LWEOJSGRPJHTGE-VXGBXAGGSA-N 2 1 254.378 -0.510 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N[C@@H]3CCC[NH2+]C3)cc2C[NH2+]1 ZINC001340915142 889511841 /nfs/dbraw/zinc/51/18/41/889511841.db2.gz DVINYBWDGZPLLR-VHSXEESVSA-N 2 1 263.345 -0.143 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001341143034 889547735 /nfs/dbraw/zinc/54/77/35/889547735.db2.gz BYFFJBRUVRBXSY-TVQRCGJNSA-N 2 1 263.345 -0.409 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001341243637 889564836 /nfs/dbraw/zinc/56/48/36/889564836.db2.gz IOEYXPSZSNFECI-JHJVBQTASA-N 2 1 266.389 -0.415 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001341289241 889571549 /nfs/dbraw/zinc/57/15/49/889571549.db2.gz HMSBJCJYTICOLX-QMMMGPOBSA-N 2 1 263.288 -0.535 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[C@H](C[NH3+])C1 ZINC001341354074 889581102 /nfs/dbraw/zinc/58/11/02/889581102.db2.gz PJSTZHWDQAPJPG-JHJVBQTASA-N 2 1 266.389 -0.428 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001341419711 889592239 /nfs/dbraw/zinc/59/22/39/889592239.db2.gz QXTMJSBZTNOFQU-BXUZGUMPSA-N 2 1 269.389 -0.053 20 0 CBADMP C[NH2+]CCOCCNC(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC001341457548 889601020 /nfs/dbraw/zinc/60/10/20/889601020.db2.gz KLXJVMAXHZJGLW-LLVKDONJSA-N 2 1 269.349 -0.967 20 0 CBADMP CN1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC[N@@H+](C)CC1 ZINC001341512015 889611228 /nfs/dbraw/zinc/61/12/28/889611228.db2.gz NTLFGRFIFDDJMG-OAHLLOKOSA-N 2 1 298.431 -0.552 20 0 CBADMP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[NH+](C3CC3)CC2)C1=O ZINC001341555268 889623017 /nfs/dbraw/zinc/62/30/17/889623017.db2.gz XOQAMKTWBRAOHO-CYBMUJFWSA-N 2 1 294.399 -0.510 20 0 CBADMP [NH3+]CCN1CCC[C@H](C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC001341587027 889629932 /nfs/dbraw/zinc/62/99/32/889629932.db2.gz SQDAZVSFWLDPCW-WCQYABFASA-N 2 1 294.399 -0.463 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](O)C[NH3+])[C@@H](C)C1 ZINC001341619466 889634587 /nfs/dbraw/zinc/63/45/87/889634587.db2.gz MREFXNVMSOKXHM-SRVKXCTJSA-N 2 1 257.378 -0.115 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CNCC[NH3+] ZINC001341614792 889635171 /nfs/dbraw/zinc/63/51/71/889635171.db2.gz RAKTYYTUSCOQBL-GFCCVEGCSA-N 2 1 256.394 -0.085 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001341626222 889635028 /nfs/dbraw/zinc/63/50/28/889635028.db2.gz DQTHPEKKQNQTBJ-BLFANLJRSA-N 2 1 269.389 -0.056 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](O)C[NH3+])[C@@H](C)C1 ZINC001341619467 889635115 /nfs/dbraw/zinc/63/51/15/889635115.db2.gz MREFXNVMSOKXHM-TUAOUCFPSA-N 2 1 257.378 -0.115 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001341660085 889641689 /nfs/dbraw/zinc/64/16/89/889641689.db2.gz RUKUDFBSAYEBQC-FRRDWIJNSA-N 2 1 266.389 -0.367 20 0 CBADMP [NH3+]C[C@@H](O)CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC001341664679 889642058 /nfs/dbraw/zinc/64/20/58/889642058.db2.gz CYHQDFWYERDXGA-NWDGAFQWSA-N 2 1 264.329 -0.736 20 0 CBADMP C[C@H](CNC(=O)CNCC[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC001341662750 889643608 /nfs/dbraw/zinc/64/36/08/889643608.db2.gz MZKUSYBPJNBWPW-VXGBXAGGSA-N 2 1 256.394 -0.229 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001341688773 889649100 /nfs/dbraw/zinc/64/91/00/889649100.db2.gz LCVMEWQUXRGUQA-NDBYEHHHSA-N 2 1 264.373 -0.805 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001341717259 889651477 /nfs/dbraw/zinc/65/14/77/889651477.db2.gz OVFWAIWRWTZASH-AAEUAGOBSA-N 2 1 257.378 -0.053 20 0 CBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CON)CC1 ZINC001341731412 889655230 /nfs/dbraw/zinc/65/52/30/889655230.db2.gz DXBXFRDZYBUZLJ-UHFFFAOYSA-N 2 1 265.317 -0.338 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001341848612 889674290 /nfs/dbraw/zinc/67/42/90/889674290.db2.gz RHKTTWAGLLWLSQ-RYUDHWBXSA-N 2 1 255.362 -0.036 20 0 CBADMP CC1(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C[NH2+]C1 ZINC001341924384 889684454 /nfs/dbraw/zinc/68/44/54/889684454.db2.gz RYMJLPJEYBKWQT-NWDGAFQWSA-N 2 1 267.373 -0.347 20 0 CBADMP C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001342021532 889697544 /nfs/dbraw/zinc/69/75/44/889697544.db2.gz LYPKEHUCYLSBCJ-WOPDTQHZSA-N 2 1 255.362 -0.361 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001342124289 889714388 /nfs/dbraw/zinc/71/43/88/889714388.db2.gz LKRBEJWKWUBVNV-DMDPSCGWSA-N 2 1 255.362 -0.240 20 0 CBADMP 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 889719323 /nfs/dbraw/zinc/71/93/23/889719323.db2.gz KLPSHCPAYNFIQU-JNLQPACOSA-N 2 1 267.373 -0.444 20 0 CBADMP C[C@H](CNC(=O)CNCC[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001342172791 889723895 /nfs/dbraw/zinc/72/38/95/889723895.db2.gz JTDKFAVOBZKFMC-UTUOFQBUSA-N 2 1 272.393 -0.851 20 0 CBADMP C[C@H](CNC(=O)CNCC[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001342172791 889723902 /nfs/dbraw/zinc/72/39/02/889723902.db2.gz JTDKFAVOBZKFMC-UTUOFQBUSA-N 2 1 272.393 -0.851 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001342184708 889725330 /nfs/dbraw/zinc/72/53/30/889725330.db2.gz ZGEROIFIDBAMFG-IRCOFANPSA-N 2 1 253.346 -0.284 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001342184708 889725335 /nfs/dbraw/zinc/72/53/35/889725335.db2.gz ZGEROIFIDBAMFG-IRCOFANPSA-N 2 1 253.346 -0.284 20 0 CBADMP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001342176730 889725987 /nfs/dbraw/zinc/72/59/87/889725987.db2.gz URAZDRADWKENAI-WRWGMCAJSA-N 2 1 253.346 -0.548 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cnn(C)c1 ZINC001342184379 889726658 /nfs/dbraw/zinc/72/66/58/889726658.db2.gz VPXPYNLLSFIDLT-QCNOEVLYSA-N 2 1 263.345 -0.310 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)c1cnc(C[NH3+])s1 ZINC001342219338 889732005 /nfs/dbraw/zinc/73/20/05/889732005.db2.gz IVILLDXPIAOGHX-UHFFFAOYSA-N 2 1 272.374 -0.090 20 0 CBADMP CCN(C(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C)[C@H]1CC[NH2+]C1 ZINC001342476720 889781428 /nfs/dbraw/zinc/78/14/28/889781428.db2.gz VVUWXJAMOVUPOQ-AGIUHOORSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[N@H+]1C ZINC001342571211 889795184 /nfs/dbraw/zinc/79/51/84/889795184.db2.gz VLVWOWVHKXTEQO-NMKXLXIOSA-N 2 1 267.373 -0.179 20 0 CBADMP C[C@H]1[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[N@H+]1C ZINC001342571213 889795810 /nfs/dbraw/zinc/79/58/10/889795810.db2.gz VLVWOWVHKXTEQO-OPDFLTKYSA-N 2 1 267.373 -0.179 20 0 CBADMP [NH3+]Cc1ocnc1C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001342599243 889798763 /nfs/dbraw/zinc/79/87/63/889798763.db2.gz ZUKAXLXZGVHICS-UHFFFAOYSA-N 2 1 295.387 -0.061 20 0 CBADMP CC[C@@H]([NH3+])C(=O)NCCCCC[NH+]1CCNCC1 ZINC001342597378 889798949 /nfs/dbraw/zinc/79/89/49/889798949.db2.gz KSGYPRDAYZFZTR-GFCCVEGCSA-N 2 1 256.394 -0.085 20 0 CBADMP CN[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)c1cnn(C)c1 ZINC001342650823 889811333 /nfs/dbraw/zinc/81/13/33/889811333.db2.gz UYQFSTZYMLILOL-USWWRNFRSA-N 2 1 265.361 -0.111 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)c1cnn(C)c1 ZINC001342650823 889811355 /nfs/dbraw/zinc/81/13/55/889811355.db2.gz UYQFSTZYMLILOL-USWWRNFRSA-N 2 1 265.361 -0.111 20 0 CBADMP 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 889833250 /nfs/dbraw/zinc/83/32/50/889833250.db2.gz USNRWVSBTDQOGB-YYHQMBLXSA-N 2 1 269.389 -0.341 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC([NH3+])CC1 ZINC001343019904 889854855 /nfs/dbraw/zinc/85/48/55/889854855.db2.gz HAYCLDNOARAZSE-CMPLNLGQSA-N 2 1 252.362 -0.676 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001343025836 889859699 /nfs/dbraw/zinc/85/96/99/889859699.db2.gz NXWHQQNPDAKFHP-ZJUUUORDSA-N 2 1 265.317 -0.711 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001343391022 889900371 /nfs/dbraw/zinc/90/03/71/889900371.db2.gz CLEXFHWVDRFSLZ-AWEZNQCLSA-N 2 1 287.404 -0.425 20 0 CBADMP [NH3+]CC1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC(O)C1 ZINC001343392689 889900510 /nfs/dbraw/zinc/90/05/10/889900510.db2.gz RMRQNHPTLGCLQT-QZPOHEPASA-N 2 1 267.373 -0.171 20 0 CBADMP CC(C)C[C@H]([NH3+])CC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001343490670 889922602 /nfs/dbraw/zinc/92/26/02/889922602.db2.gz NXIULMODXAZXCO-NWDGAFQWSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)C[C@H]([NH3+])CC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001343490670 889922613 /nfs/dbraw/zinc/92/26/13/889922613.db2.gz NXIULMODXAZXCO-NWDGAFQWSA-N 2 1 257.378 -0.115 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@@H+](C)CCN1C ZINC001343487594 889919044 /nfs/dbraw/zinc/91/90/44/889919044.db2.gz FHGWEDGSMNDTMS-RNJOBUHISA-N 2 1 268.405 -0.265 20 0 CBADMP CC[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001343566108 889933076 /nfs/dbraw/zinc/93/30/76/889933076.db2.gz FBBGLGKRGRFCEY-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH2+]C1(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)CCC1 ZINC001343582222 889936552 /nfs/dbraw/zinc/93/65/52/889936552.db2.gz JJMZWSRNNRYWOV-VXGBXAGGSA-N 2 1 268.405 -0.121 20 0 CBADMP C[NH2+]CCCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001343592899 889939331 /nfs/dbraw/zinc/93/93/31/889939331.db2.gz SOSYXYBLQWCNFL-GXTWGEPZSA-N 2 1 285.388 -0.672 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC001343683705 889946729 /nfs/dbraw/zinc/94/67/29/889946729.db2.gz QGLAOGLRPZUICZ-IRCOFANPSA-N 2 1 253.346 -0.569 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCCN1CCC([NH3+])CC1 ZINC001344708670 890055176 /nfs/dbraw/zinc/05/51/76/890055176.db2.gz OHMNVCCPZLSVHY-UHFFFAOYSA-N 2 1 265.361 -0.269 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001344747985 890058900 /nfs/dbraw/zinc/05/89/00/890058900.db2.gz PQWFKWZMRPBKSZ-UTUOFQBUSA-N 2 1 266.389 -0.430 20 0 CBADMP [NH3+]CCNCC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001344778095 890064439 /nfs/dbraw/zinc/06/44/39/890064439.db2.gz PKMQXRZWRGINNG-MNOVXSKESA-N 2 1 272.418 -0.769 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001345501071 890137431 /nfs/dbraw/zinc/13/74/31/890137431.db2.gz JGPSEEQZOMELLL-OFTGVCEQSA-N 2 1 264.373 -0.616 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC001345943606 890183492 /nfs/dbraw/zinc/18/34/92/890183492.db2.gz KPUJXDDDKPTJPX-STQMWFEESA-N 3 1 268.405 -0.146 20 0 CBADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001345955146 890185876 /nfs/dbraw/zinc/18/58/76/890185876.db2.gz CGJLIMSAEUUAKS-TZMCWYRMSA-N 3 1 268.405 -0.146 20 0 CBADMP Cn1cc[nH+]c1N1CCC(NC(=O)C2([NH3+])CC2)CC1 ZINC001346055981 890204415 /nfs/dbraw/zinc/20/44/15/890204415.db2.gz IQLYNDQNJYTNJJ-UHFFFAOYSA-N 2 1 263.345 -0.004 20 0 CBADMP C[NH+](C[C@H](O)CN1CC([N@@H+]2CC[C@@H](O)C2)C1)C1CC1 ZINC001346118219 890217405 /nfs/dbraw/zinc/21/74/05/890217405.db2.gz UTSVXJBNVFNRNE-KGLIPLIRSA-N 2 1 269.389 -0.808 20 0 CBADMP C[NH+](C[C@H](O)CN1CC([N@H+]2CC[C@@H](O)C2)C1)C1CC1 ZINC001346118219 890217418 /nfs/dbraw/zinc/21/74/18/890217418.db2.gz UTSVXJBNVFNRNE-KGLIPLIRSA-N 2 1 269.389 -0.808 20 0 CBADMP [NH3+]CCCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001346208754 890237617 /nfs/dbraw/zinc/23/76/17/890237617.db2.gz BECIXIIUCXPCER-VXGBXAGGSA-N 2 1 255.362 -0.217 20 0 CBADMP C[N@H+]1CCCN(CCC[NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC001346202924 890238391 /nfs/dbraw/zinc/23/83/91/890238391.db2.gz CWVVFOSMXMUGCL-AWEZNQCLSA-N 2 1 285.432 -0.121 20 0 CBADMP [NH3+]CCCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001346208747 890240172 /nfs/dbraw/zinc/24/01/72/890240172.db2.gz BECIXIIUCXPCER-NEPJUHHUSA-N 2 1 255.362 -0.217 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](C)CCN1C ZINC001346228924 890246880 /nfs/dbraw/zinc/24/68/80/890246880.db2.gz OBQLAUZNPILTOB-WOPDTQHZSA-N 2 1 254.378 -0.511 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@H]1C[N@@H+](C)CCN1C ZINC001346228921 890247780 /nfs/dbraw/zinc/24/77/80/890247780.db2.gz OBQLAUZNPILTOB-SDDRHHMPSA-N 2 1 254.378 -0.511 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001346406724 890285066 /nfs/dbraw/zinc/28/50/66/890285066.db2.gz CSUOMXWZJOLEJP-HAQNSBGRSA-N 2 1 273.377 -0.423 20 0 CBADMP O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1C[NH2+]CC12CC2 ZINC001346462315 890298254 /nfs/dbraw/zinc/29/82/54/890298254.db2.gz RJNISCMBSFUTDJ-GFCCVEGCSA-N 2 1 267.373 -0.441 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CC[NH+](C)C ZINC001346611697 890332274 /nfs/dbraw/zinc/33/22/74/890332274.db2.gz LULZJFXQDBAESR-NWDGAFQWSA-N 2 1 254.378 -0.605 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1([NH3+])CC1 ZINC001346633363 890334368 /nfs/dbraw/zinc/33/43/68/890334368.db2.gz OSOAISYPWPBTLF-JTQLQIEISA-N 2 1 255.366 -0.977 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC(C)(C)C[NH+](C)C ZINC001347033774 890388015 /nfs/dbraw/zinc/38/80/15/890388015.db2.gz CEWXRCRRKUDYEP-NEPJUHHUSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC(C)(C)C[NH+](C)C ZINC001347033775 890388890 /nfs/dbraw/zinc/38/88/90/890388890.db2.gz CEWXRCRRKUDYEP-NWDGAFQWSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)[C@@H]1CCO ZINC001347144807 890415735 /nfs/dbraw/zinc/41/57/35/890415735.db2.gz BJUPCLCWTJLGBC-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP Cn1ccnc1CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001347745131 890506911 /nfs/dbraw/zinc/50/69/11/890506911.db2.gz JUIQCQOJMJWASS-MFKMUULPSA-N 2 1 266.345 -0.466 20 0 CBADMP Cn1ccnc1CCNC(=O)[C@]1(C)C[C@@H](O)CN1C ZINC001347745131 890506917 /nfs/dbraw/zinc/50/69/17/890506917.db2.gz JUIQCQOJMJWASS-MFKMUULPSA-N 2 1 266.345 -0.466 20 0 CBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001348319695 890596612 /nfs/dbraw/zinc/59/66/12/890596612.db2.gz JKBVCJYVWGSZCH-GHMZBOCLSA-N 2 1 280.372 -0.935 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1(O)CC[NH+](C)CC1 ZINC001348468110 890629997 /nfs/dbraw/zinc/62/99/97/890629997.db2.gz MKGKQYRAVAPZOZ-UHFFFAOYSA-N 2 1 266.345 -0.236 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC[N@@H+]1C ZINC001348715160 890687036 /nfs/dbraw/zinc/68/70/36/890687036.db2.gz UTSUNFDVUKEDGI-NWDGAFQWSA-N 2 1 284.404 -0.409 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC[N@H+]1C ZINC001348715160 890687046 /nfs/dbraw/zinc/68/70/46/890687046.db2.gz UTSUNFDVUKEDGI-NWDGAFQWSA-N 2 1 284.404 -0.409 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC001449006632 913484985 /nfs/dbraw/zinc/48/49/85/913484985.db2.gz DLRWDFASJHGPAZ-IUODEOHRSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC001449006632 913484997 /nfs/dbraw/zinc/48/49/97/913484997.db2.gz DLRWDFASJHGPAZ-IUODEOHRSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001449006632 913485012 /nfs/dbraw/zinc/48/50/12/913485012.db2.gz DLRWDFASJHGPAZ-IUODEOHRSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001449006632 913485023 /nfs/dbraw/zinc/48/50/23/913485023.db2.gz DLRWDFASJHGPAZ-IUODEOHRSA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001348958829 890737722 /nfs/dbraw/zinc/73/77/22/890737722.db2.gz YOZVUZSJIMVIJM-ZBFHGGJFSA-N 3 1 296.459 -0.331 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001349024600 890747520 /nfs/dbraw/zinc/74/75/20/890747520.db2.gz OCEZUMQECFZOQM-TXEJJXNPSA-N 2 1 282.388 -0.878 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001349024600 890747532 /nfs/dbraw/zinc/74/75/32/890747532.db2.gz OCEZUMQECFZOQM-TXEJJXNPSA-N 2 1 282.388 -0.878 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001349024600 890747545 /nfs/dbraw/zinc/74/75/45/890747545.db2.gz OCEZUMQECFZOQM-TXEJJXNPSA-N 2 1 282.388 -0.878 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001349024598 890748091 /nfs/dbraw/zinc/74/80/91/890748091.db2.gz OCEZUMQECFZOQM-RYUDHWBXSA-N 2 1 282.388 -0.878 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCCNC(=O)C[NH+]2CCCC2)C1 ZINC001349028428 890749855 /nfs/dbraw/zinc/74/98/55/890749855.db2.gz DPESETBJQCLLAS-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CC=CC1 ZINC001349075563 890756709 /nfs/dbraw/zinc/75/67/09/890756709.db2.gz XDGTUNIKBCJPDG-STQMWFEESA-N 2 1 264.373 -0.637 20 0 CBADMP C/C(=C\C(=O)NC[C@@H]1CC[N@@H+]1C)C(=O)NC[C@H]1CC[NH+]1C ZINC001349300602 890789050 /nfs/dbraw/zinc/78/90/50/890789050.db2.gz SFUHHJILIQHDMH-UAIPSJAGSA-N 2 1 294.399 -0.427 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001349317461 890794852 /nfs/dbraw/zinc/79/48/52/890794852.db2.gz CEDBIKIVEOKYIF-NXEZZACHSA-N 2 1 266.345 -0.747 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC(N)=O)[C@@H]1C ZINC001449043584 913488888 /nfs/dbraw/zinc/48/88/88/913488888.db2.gz GTBJPSQYUXHIGI-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC(N)=O)[C@@H]1C ZINC001449043584 913488895 /nfs/dbraw/zinc/48/88/95/913488895.db2.gz GTBJPSQYUXHIGI-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC001449043584 913488910 /nfs/dbraw/zinc/48/89/10/913488910.db2.gz GTBJPSQYUXHIGI-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC001449043584 913488922 /nfs/dbraw/zinc/48/89/22/913488922.db2.gz GTBJPSQYUXHIGI-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001349326769 890797261 /nfs/dbraw/zinc/79/72/61/890797261.db2.gz BNVXSBWVFPZFQU-UHFFFAOYSA-N 2 1 268.405 -0.215 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001349326769 890797272 /nfs/dbraw/zinc/79/72/72/890797272.db2.gz BNVXSBWVFPZFQU-UHFFFAOYSA-N 2 1 268.405 -0.215 20 0 CBADMP O=C(C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC001350092298 890937993 /nfs/dbraw/zinc/93/79/93/890937993.db2.gz HEHUGPPRJGVDNZ-STQMWFEESA-N 2 1 267.373 -0.081 20 0 CBADMP O=C1OCCN1[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC001350398644 890976911 /nfs/dbraw/zinc/97/69/11/890976911.db2.gz QOTWQUVUUNNQHG-LBPRGKRZSA-N 2 1 268.361 -0.582 20 0 CBADMP C[NH+](C)C1CN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC001350588363 891012788 /nfs/dbraw/zinc/01/27/88/891012788.db2.gz GNOJMAOOQHQPDV-CYBMUJFWSA-N 2 1 255.362 -0.394 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H](Cn3ccnn3)C2)C1 ZINC001350910294 891067366 /nfs/dbraw/zinc/06/73/66/891067366.db2.gz PARDIKSCWZGPLS-BJDJZHNGSA-N 2 1 251.334 -0.549 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CCC[NH+](C)C ZINC001351731694 891178906 /nfs/dbraw/zinc/17/89/06/891178906.db2.gz NDNNGORECGWPLF-STQMWFEESA-N 2 1 268.405 -0.215 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1CC[NH2+]CC1 ZINC001352990428 891338330 /nfs/dbraw/zinc/33/83/30/891338330.db2.gz ZXKGOTWYDCDKSA-YPMHNXCESA-N 2 1 266.389 -0.510 20 0 CBADMP 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 891381204 /nfs/dbraw/zinc/38/12/04/891381204.db2.gz GSPSUGYEMFZUHE-ZDEQEGDKSA-N 2 1 294.399 -0.608 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001353312268 891402409 /nfs/dbraw/zinc/40/24/09/891402409.db2.gz VMAHIHMNNCWJEU-JOCQHMNTSA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCCCN1CC[NH+](C)CC1 ZINC001353354489 891411296 /nfs/dbraw/zinc/41/12/96/891411296.db2.gz QJGFQPBGNSUZOL-ZIAGYGMSSA-N 2 1 297.447 -0.079 20 0 CBADMP C[NH2+]CCOCCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001353444109 891428558 /nfs/dbraw/zinc/42/85/58/891428558.db2.gz WUJVPWXSBFCKSO-GXTWGEPZSA-N 2 1 284.404 -0.185 20 0 CBADMP C[NH+]1CCN(C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001353467306 891430498 /nfs/dbraw/zinc/43/04/98/891430498.db2.gz OPBWXBINTUPKPD-UHFFFAOYSA-N 2 1 269.393 -0.634 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001353464846 891431314 /nfs/dbraw/zinc/43/13/14/891431314.db2.gz LEJRPRIEYJJLNZ-TXEJJXNPSA-N 2 1 272.393 -0.009 20 0 CBADMP [NH3+]CCNCC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC001353458466 891431464 /nfs/dbraw/zinc/43/14/64/891431464.db2.gz BPVRJMBPNDVKOS-UHFFFAOYSA-N 2 1 290.411 -0.078 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)[C@@H](O)C[NH2+]C)C1 ZINC001353496717 891437585 /nfs/dbraw/zinc/43/75/85/891437585.db2.gz UBFDMMATGMINSI-UTUOFQBUSA-N 2 1 257.378 -0.339 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1([NH3+])CCC1 ZINC001353603036 891452827 /nfs/dbraw/zinc/45/28/27/891452827.db2.gz YHMKYNNYIBAIGQ-MNOVXSKESA-N 2 1 252.362 -0.628 20 0 CBADMP C[C@@H]([NH3+])C1(C(=O)NCC(F)(F)C[NH3+])CCOCC1 ZINC001353613047 891453272 /nfs/dbraw/zinc/45/32/72/891453272.db2.gz JZPADZUCLJCSFA-MRVPVSSYSA-N 2 1 265.304 -0.159 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001353760632 891471266 /nfs/dbraw/zinc/47/12/66/891471266.db2.gz MKEJWGCFWLPIAM-AGIUHOORSA-N 2 1 267.373 -0.320 20 0 CBADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001354343333 891567463 /nfs/dbraw/zinc/56/74/63/891567463.db2.gz NNRMBHIONZZKBH-NEPJUHHUSA-N 2 1 257.378 -0.053 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)C[C@@H]2CCNC2=O)CC1 ZINC001354771411 891615511 /nfs/dbraw/zinc/61/55/11/891615511.db2.gz WJNWTPVIYZIZTN-JTQLQIEISA-N 2 1 268.361 -0.948 20 0 CBADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC001354916207 891627760 /nfs/dbraw/zinc/62/77/60/891627760.db2.gz UKWDYVWLGPYOHU-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC001354916207 891627768 /nfs/dbraw/zinc/62/77/68/891627768.db2.gz UKWDYVWLGPYOHU-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cnn(C)c1 ZINC001355499103 891683829 /nfs/dbraw/zinc/68/38/29/891683829.db2.gz VPXPYNLLSFIDLT-KXNHARMFSA-N 2 1 263.345 -0.310 20 0 CBADMP [NH3+]CCOCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001356226745 891740421 /nfs/dbraw/zinc/74/04/21/891740421.db2.gz BXYAXSJLRVZGOM-NWDGAFQWSA-N 2 1 271.361 -0.981 20 0 CBADMP [NH3+]CCOCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001356226746 891741268 /nfs/dbraw/zinc/74/12/68/891741268.db2.gz BXYAXSJLRVZGOM-RYUDHWBXSA-N 2 1 271.361 -0.981 20 0 CBADMP C[C@H](NC(=O)C(C)(C)C[NH3+])[C@@H]1C[N@@H+](C)CCN1C ZINC001356253701 891742978 /nfs/dbraw/zinc/74/29/78/891742978.db2.gz ORWWZLZUXORCBM-QWRGUYRKSA-N 2 1 256.394 -0.278 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCN2C)CC[N@@H+]1C ZINC001356311064 891745723 /nfs/dbraw/zinc/74/57/23/891745723.db2.gz KGXOWPIVHYHPOV-QWHCGFSZSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCN2C)CC[N@H+]1C ZINC001356311064 891745730 /nfs/dbraw/zinc/74/57/30/891745730.db2.gz KGXOWPIVHYHPOV-QWHCGFSZSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N3CCC([NH3+])CC3)cc2C[NH2+]1 ZINC001356498504 891773231 /nfs/dbraw/zinc/77/32/31/891773231.db2.gz GLMDSTDZEKKIJC-VIFPVBQESA-N 2 1 263.345 -0.062 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1C ZINC001357241681 891862733 /nfs/dbraw/zinc/86/27/33/891862733.db2.gz JYFCOFRZEDMAPB-STQMWFEESA-N 2 1 283.420 -0.327 20 0 CBADMP C[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H](O)C[NH2+]1 ZINC001357369011 891877300 /nfs/dbraw/zinc/87/73/00/891877300.db2.gz TUNKCQMBLPUZTD-NRWUCQMLSA-N 2 1 267.373 -0.158 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001357374484 891877339 /nfs/dbraw/zinc/87/73/39/891877339.db2.gz CJBSUMDNEIRVEX-YRGRVCCFSA-N 2 1 269.389 -0.054 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001357397078 891886833 /nfs/dbraw/zinc/88/68/33/891886833.db2.gz NYULGWNGWGIKJO-UMSGYPCISA-N 2 1 267.373 -0.036 20 0 CBADMP Cc1[nH+]ccn1CCCCNC(=O)C[C@@H](O)C[NH3+] ZINC001357413924 891891187 /nfs/dbraw/zinc/89/11/87/891891187.db2.gz KRMUVPZJZSRCSS-LLVKDONJSA-N 2 1 254.334 -0.202 20 0 CBADMP O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CC[NH2+]C[C@H]1C(F)F ZINC001357471568 891902295 /nfs/dbraw/zinc/90/22/95/891902295.db2.gz GDQUEXLQLRDPCL-XFWSIPNHSA-N 2 1 259.300 -0.093 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2COC3(C[NH2+]C3)C2)C1 ZINC001357846942 891941045 /nfs/dbraw/zinc/94/10/45/891941045.db2.gz OQMYGHISXBTTOE-GHMZBOCLSA-N 2 1 253.346 -0.425 20 0 CBADMP C[C@@H]([NH3+])CONC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001357872452 891943515 /nfs/dbraw/zinc/94/35/15/891943515.db2.gz BASJRJCYLRAONP-HTQZYQBOSA-N 2 1 253.306 -0.617 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001357923854 891946171 /nfs/dbraw/zinc/94/61/71/891946171.db2.gz XKFOQZJKVIUIBJ-CHWSQXEVSA-N 2 1 284.404 -0.931 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001357923855 891946582 /nfs/dbraw/zinc/94/65/82/891946582.db2.gz XKFOQZJKVIUIBJ-OLZOCXBDSA-N 2 1 284.404 -0.931 20 0 CBADMP CC(C)[C@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC[N@@H+]1C ZINC001357992954 891953474 /nfs/dbraw/zinc/95/34/74/891953474.db2.gz LYRDTQWMJFNQRN-YRGRVCCFSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[C@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC[N@H+]1C ZINC001357992954 891953486 /nfs/dbraw/zinc/95/34/86/891953486.db2.gz LYRDTQWMJFNQRN-YRGRVCCFSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[C@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC[N@@H+]1C ZINC001357992952 891954251 /nfs/dbraw/zinc/95/42/51/891954251.db2.gz LYRDTQWMJFNQRN-OUCADQQQSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[C@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC[N@H+]1C ZINC001357992952 891954260 /nfs/dbraw/zinc/95/42/60/891954260.db2.gz LYRDTQWMJFNQRN-OUCADQQQSA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N3CCC[C@H]([NH3+])C3)cc2C[NH2+]1 ZINC001358129710 891974960 /nfs/dbraw/zinc/97/49/60/891974960.db2.gz CRSQZEKAYCIVBN-ZJUUUORDSA-N 2 1 263.345 -0.062 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001358249010 891986567 /nfs/dbraw/zinc/98/65/67/891986567.db2.gz BLCHUNHJSSEGOA-FRRDWIJNSA-N 2 1 266.389 -0.428 20 0 CBADMP COC[C@@]1(C(=O)N2CCN(C)CC[N@@H+](C)CC2)CC[NH2+]C1 ZINC001358444766 892008881 /nfs/dbraw/zinc/00/88/81/892008881.db2.gz PPNOXBHKWSOWRZ-OAHLLOKOSA-N 2 1 298.431 -0.682 20 0 CBADMP CN1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@@H+](C)CC1 ZINC001358444425 892008935 /nfs/dbraw/zinc/00/89/35/892008935.db2.gz KPZWXBNGYXLAQD-OLZOCXBDSA-N 2 1 268.405 -0.180 20 0 CBADMP C[C@H](CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001361832216 892266320 /nfs/dbraw/zinc/26/63/20/892266320.db2.gz HGSFJNWDIIZMIM-CHWSQXEVSA-N 2 1 270.421 -0.064 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCCC(=O)N1CCN(C)CC1 ZINC001361920490 892313750 /nfs/dbraw/zinc/31/37/50/892313750.db2.gz AEVMLBJZBYOWPE-UHFFFAOYSA-N 2 1 293.371 -0.528 20 0 CBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@]1(O)CCOC1 ZINC001362041170 892389226 /nfs/dbraw/zinc/38/92/26/892389226.db2.gz PQTDPLICHYERNO-HNNXBMFYSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@]1(O)CCOC1 ZINC001362041170 892389241 /nfs/dbraw/zinc/38/92/41/892389241.db2.gz PQTDPLICHYERNO-HNNXBMFYSA-N 2 1 299.415 -0.378 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)[C@@H]2CCC[C@H]2O)C1 ZINC001362164967 892476243 /nfs/dbraw/zinc/47/62/43/892476243.db2.gz JSLXXIFWNRTVMQ-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1 ZINC001362164967 892476253 /nfs/dbraw/zinc/47/62/53/892476253.db2.gz JSLXXIFWNRTVMQ-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1 ZINC001362164967 892476264 /nfs/dbraw/zinc/47/62/64/892476264.db2.gz JSLXXIFWNRTVMQ-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001362361185 892624409 /nfs/dbraw/zinc/62/44/09/892624409.db2.gz WZSPPUYYVXAPKJ-WCQYABFASA-N 2 1 275.368 -0.151 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2(CCO)CC[NH+](C)CC2)C1 ZINC001362454012 892692580 /nfs/dbraw/zinc/69/25/80/892692580.db2.gz VPSCFCQCTNUMII-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC2(CCO)CC[NH+](C)CC2)C1 ZINC001362454012 892692589 /nfs/dbraw/zinc/69/25/89/892692589.db2.gz VPSCFCQCTNUMII-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP O=C(C1CN([C@@H]2CCOC2)C1)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001362620513 892852065 /nfs/dbraw/zinc/85/20/65/892852065.db2.gz PXYCKJOYYCXDBV-MJBXVCDLSA-N 2 1 297.374 -0.038 20 0 CBADMP O=C(CC[NH+]1CC[C@H](F)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001362629236 892863002 /nfs/dbraw/zinc/86/30/02/892863002.db2.gz XVUOSLBIRRFTNJ-RWMBFGLXSA-N 2 1 285.363 -0.302 20 0 CBADMP C[C@H](CC[NH+](C)C)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC001362739700 892983207 /nfs/dbraw/zinc/98/32/07/892983207.db2.gz FMFFDVOCJLQESK-CYBMUJFWSA-N 2 1 298.431 -0.193 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[NH+](C)CC[C@@H]2C1 ZINC001363006526 893254636 /nfs/dbraw/zinc/25/46/36/893254636.db2.gz UTFXTRYPVYIDKZ-UKTARXLSSA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001363006526 893254651 /nfs/dbraw/zinc/25/46/51/893254651.db2.gz UTFXTRYPVYIDKZ-UKTARXLSSA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001363006526 893254664 /nfs/dbraw/zinc/25/46/64/893254664.db2.gz UTFXTRYPVYIDKZ-UKTARXLSSA-N 2 1 281.400 -0.148 20 0 CBADMP CC[C@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001451092851 913769800 /nfs/dbraw/zinc/76/98/00/913769800.db2.gz RPZJSSJSWBRDNR-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP O=C(CC[NH+]1CC[C@H](F)C1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001363213034 893466615 /nfs/dbraw/zinc/46/66/15/893466615.db2.gz VLAQVOZXVUUVTA-NWDGAFQWSA-N 2 1 273.352 -0.397 20 0 CBADMP O=C(CC[N@@H+]1CC[C@H](F)C1)NCC[NH+]1CC[C@@H](O)C1 ZINC001363213034 893466631 /nfs/dbraw/zinc/46/66/31/893466631.db2.gz VLAQVOZXVUUVTA-NWDGAFQWSA-N 2 1 273.352 -0.397 20 0 CBADMP O=C(CC[N@H+]1CC[C@H](F)C1)NCC[NH+]1CC[C@@H](O)C1 ZINC001363213034 893466642 /nfs/dbraw/zinc/46/66/42/893466642.db2.gz VLAQVOZXVUUVTA-NWDGAFQWSA-N 2 1 273.352 -0.397 20 0 CBADMP CC[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001451092847 913771441 /nfs/dbraw/zinc/77/14/41/913771441.db2.gz RPZJSSJSWBRDNR-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(=O)N[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001363260422 893504191 /nfs/dbraw/zinc/50/41/91/893504191.db2.gz VZAGDXRYAKQVAZ-ZDUSSCGKSA-N 2 1 282.388 -0.639 20 0 CBADMP CC(=O)N[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001363260422 893504198 /nfs/dbraw/zinc/50/41/98/893504198.db2.gz VZAGDXRYAKQVAZ-ZDUSSCGKSA-N 2 1 282.388 -0.639 20 0 CBADMP C[C@@H](C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)N1CC[NH+](C)CC1 ZINC001363297206 893554709 /nfs/dbraw/zinc/55/47/09/893554709.db2.gz FUTVTCVRNHMJNL-MJBXVCDLSA-N 2 1 280.416 -0.215 20 0 CBADMP C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)N1CC[NH+](C)CC1 ZINC001363297206 893554732 /nfs/dbraw/zinc/55/47/32/893554732.db2.gz FUTVTCVRNHMJNL-MJBXVCDLSA-N 2 1 280.416 -0.215 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)CC1 ZINC001363336950 893596136 /nfs/dbraw/zinc/59/61/36/893596136.db2.gz XUWXYMBRKRPODP-OLZOCXBDSA-N 2 1 299.415 -0.881 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CC([NH2+]C3CCOCC3)C2)C1 ZINC001363581511 893816460 /nfs/dbraw/zinc/81/64/60/893816460.db2.gz CMMHHYCWBCTZST-ZDUSSCGKSA-N 2 1 283.372 -0.704 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CC([NH2+]C3CCOCC3)C2)C1 ZINC001363581511 893816480 /nfs/dbraw/zinc/81/64/80/893816480.db2.gz CMMHHYCWBCTZST-ZDUSSCGKSA-N 2 1 283.372 -0.704 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1 ZINC001363676379 893906826 /nfs/dbraw/zinc/90/68/26/893906826.db2.gz MOFDHEAZXVNRHX-NFAWXSAZSA-N 2 1 299.415 -0.643 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](CO)[C@H]2CCCOC2)CC1 ZINC001364444703 894425373 /nfs/dbraw/zinc/42/53/73/894425373.db2.gz IVHPZVRTGJGCMZ-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H](CC[NH+](C)C)C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001364457821 894437133 /nfs/dbraw/zinc/43/71/33/894437133.db2.gz CQVRUEXQSVSWLO-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP CC(C)[NH+]1CCC(C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1 ZINC001364472062 894442764 /nfs/dbraw/zinc/44/27/64/894442764.db2.gz RTEBQSILEZZFPY-OAHLLOKOSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H]1CN(CCO)CC[N@H+]1CCN1CCOC[C@@H]1C ZINC001365308720 894889395 /nfs/dbraw/zinc/88/93/95/894889395.db2.gz FRMMBWUEBGTPBD-KGLIPLIRSA-N 2 1 271.405 -0.295 20 0 CBADMP C[C@@H]1CN(CCO)CC[N@@H+]1CCN1CCOC[C@@H]1C ZINC001365308720 894889413 /nfs/dbraw/zinc/88/94/13/894889413.db2.gz FRMMBWUEBGTPBD-KGLIPLIRSA-N 2 1 271.405 -0.295 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001365812660 895125309 /nfs/dbraw/zinc/12/53/09/895125309.db2.gz XYHCWUIUUYGVEQ-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001365819662 895128083 /nfs/dbraw/zinc/12/80/83/895128083.db2.gz VOBOYPBIHBOMEZ-FRRDWIJNSA-N 2 1 296.415 -0.170 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001365825640 895129617 /nfs/dbraw/zinc/12/96/17/895129617.db2.gz UDFIRFWAKBPLML-UPJWGTAASA-N 2 1 296.415 -0.441 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001365854113 895134755 /nfs/dbraw/zinc/13/47/55/895134755.db2.gz XHQMSXQBVTZUEC-AVGNSLFASA-N 2 1 296.415 -0.301 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)NC ZINC001365869097 895135020 /nfs/dbraw/zinc/13/50/20/895135020.db2.gz RBLGFHAQAOBEIY-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)NC ZINC001365869097 895135026 /nfs/dbraw/zinc/13/50/26/895135026.db2.gz RBLGFHAQAOBEIY-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001365984985 895161668 /nfs/dbraw/zinc/16/16/68/895161668.db2.gz MJIMVNLMANILIU-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001365993212 895165959 /nfs/dbraw/zinc/16/59/59/895165959.db2.gz VHADYKGRERDCDJ-VXGBXAGGSA-N 2 1 275.368 -0.151 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001366001847 895171769 /nfs/dbraw/zinc/17/17/69/895171769.db2.gz GBRAJSANPKDAGH-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001366046971 895179161 /nfs/dbraw/zinc/17/91/61/895179161.db2.gz QPPKNKWMERQBHE-QWHCGFSZSA-N 2 1 296.415 -0.170 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001366104468 895191317 /nfs/dbraw/zinc/19/13/17/895191317.db2.gz KBAPQUQVEHKIGT-RDBSUJKOSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001366104004 895192104 /nfs/dbraw/zinc/19/21/04/895192104.db2.gz WMABOOHFNGXION-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC)C2)CC[N@H+]1C ZINC001366118320 895196882 /nfs/dbraw/zinc/19/68/82/895196882.db2.gz VSORSMZSACRBMI-ZDEQEGDKSA-N 2 1 296.415 -0.301 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001366157464 895209789 /nfs/dbraw/zinc/20/97/89/895209789.db2.gz PPICXVKBXZAPFX-PHIMTYICSA-N 2 1 279.344 -0.826 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366168264 895213299 /nfs/dbraw/zinc/21/32/99/895213299.db2.gz ZZESWDAPABHHAL-FVCCEPFGSA-N 2 1 285.388 -0.818 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001366182077 895216484 /nfs/dbraw/zinc/21/64/84/895216484.db2.gz ANQXNIXFOOAZQH-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001366291564 895263036 /nfs/dbraw/zinc/26/30/36/895263036.db2.gz QLPWOHYXYBEOSI-PWSUYJOCSA-N 2 1 297.407 -0.609 20 0 CBADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cn(C)nn1 ZINC001366324784 895276721 /nfs/dbraw/zinc/27/67/21/895276721.db2.gz RCMWCCLOTIHYAA-LLVKDONJSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001366334118 895279420 /nfs/dbraw/zinc/27/94/20/895279420.db2.gz LMZNPQONFNGCJB-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001366358233 895288020 /nfs/dbraw/zinc/28/80/20/895288020.db2.gz NPFHODZCHQPVAA-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CCN(CC)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001366358133 895289381 /nfs/dbraw/zinc/28/93/81/895289381.db2.gz NDMVLYQSBKAZDL-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001366382800 895299925 /nfs/dbraw/zinc/29/99/25/895299925.db2.gz WWGUQLRRFULWFO-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001366380778 895301928 /nfs/dbraw/zinc/30/19/28/895301928.db2.gz HRMLDZSJYQDNSX-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001366388300 895305066 /nfs/dbraw/zinc/30/50/66/895305066.db2.gz AEBWJDDEJQNQLX-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001366411619 895313808 /nfs/dbraw/zinc/31/38/08/895313808.db2.gz MHLNQLZIFMOLIP-NWDGAFQWSA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001366452777 895324522 /nfs/dbraw/zinc/32/45/22/895324522.db2.gz NNCKXXHOUXJCKL-YPMHNXCESA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H]([NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001366471157 895328868 /nfs/dbraw/zinc/32/88/68/895328868.db2.gz ISNSDGJCXBLDJQ-WDEREUQCSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@@H](CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)[NH2+]CC(N)=O ZINC001366495359 895333969 /nfs/dbraw/zinc/33/39/69/895333969.db2.gz DYQPAYFVGYGAPD-FZMZJTMJSA-N 2 1 282.388 -0.558 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nnn(C)n1 ZINC001366508459 895341327 /nfs/dbraw/zinc/34/13/27/895341327.db2.gz LLLKRKRKSLXIPZ-QWRGUYRKSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnn(C)n1 ZINC001366508459 895341341 /nfs/dbraw/zinc/34/13/41/895341341.db2.gz LLLKRKRKSLXIPZ-QWRGUYRKSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001366584961 895397718 /nfs/dbraw/zinc/39/77/18/895397718.db2.gz CZIQIXHJPWDUHL-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001366584961 895397731 /nfs/dbraw/zinc/39/77/31/895397731.db2.gz CZIQIXHJPWDUHL-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP Cn1cc(C[N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)cn1 ZINC001366590563 895401044 /nfs/dbraw/zinc/40/10/44/895401044.db2.gz BJFCKBXXMGNOMG-ZDUSSCGKSA-N 2 1 279.388 -0.080 20 0 CBADMP Cn1cc(C[N@@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)cn1 ZINC001366590563 895401051 /nfs/dbraw/zinc/40/10/51/895401051.db2.gz BJFCKBXXMGNOMG-ZDUSSCGKSA-N 2 1 279.388 -0.080 20 0 CBADMP Cn1cc(C[NH+](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001366590563 895401054 /nfs/dbraw/zinc/40/10/54/895401054.db2.gz BJFCKBXXMGNOMG-ZDUSSCGKSA-N 2 1 279.388 -0.080 20 0 CBADMP Cn1cc(C[NH+](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001366590563 895401059 /nfs/dbraw/zinc/40/10/59/895401059.db2.gz BJFCKBXXMGNOMG-ZDUSSCGKSA-N 2 1 279.388 -0.080 20 0 CBADMP CCNC(=O)C[N@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC001366638430 895416449 /nfs/dbraw/zinc/41/64/49/895416449.db2.gz AHNRVCZTFWUAAW-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP CCNC(=O)C[N@@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC001366638430 895416455 /nfs/dbraw/zinc/41/64/55/895416455.db2.gz AHNRVCZTFWUAAW-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP CC[N@H+](CCCO)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001366641772 895419574 /nfs/dbraw/zinc/41/95/74/895419574.db2.gz XYYFCCFWCWRMQB-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[N@@H+](CCCO)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001366641772 895419583 /nfs/dbraw/zinc/41/95/83/895419583.db2.gz XYYFCCFWCWRMQB-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](CCCO)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001366641772 895419597 /nfs/dbraw/zinc/41/95/97/895419597.db2.gz XYYFCCFWCWRMQB-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](CCCO)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001366641772 895419608 /nfs/dbraw/zinc/41/96/08/895419608.db2.gz XYYFCCFWCWRMQB-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccnc1 ZINC001366674929 895425809 /nfs/dbraw/zinc/42/58/09/895425809.db2.gz GBBQYDHFCTVUBJ-WDEREUQCSA-N 2 1 279.344 -0.663 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCCN1[C@@H]1CCNC1=O ZINC001366675906 895427174 /nfs/dbraw/zinc/42/71/74/895427174.db2.gz IERRGGOOEGWUDP-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@@H]1CCNC1=O ZINC001366675906 895427178 /nfs/dbraw/zinc/42/71/78/895427178.db2.gz IERRGGOOEGWUDP-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@@H]1CCNC1=O ZINC001366675906 895427180 /nfs/dbraw/zinc/42/71/80/895427180.db2.gz IERRGGOOEGWUDP-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001366675906 895427183 /nfs/dbraw/zinc/42/71/83/895427183.db2.gz IERRGGOOEGWUDP-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001366741562 895443932 /nfs/dbraw/zinc/44/39/32/895443932.db2.gz HZLQHECHFUKSJG-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001366741562 895443943 /nfs/dbraw/zinc/44/39/43/895443943.db2.gz HZLQHECHFUKSJG-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001366741562 895443954 /nfs/dbraw/zinc/44/39/54/895443954.db2.gz HZLQHECHFUKSJG-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001366741562 895443966 /nfs/dbraw/zinc/44/39/66/895443966.db2.gz HZLQHECHFUKSJG-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C1CC1)[C@H]1CCNC1=O ZINC001366737713 895445898 /nfs/dbraw/zinc/44/58/98/895445898.db2.gz GTEIVOXWYFVFSD-OLZOCXBDSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C1CC1)[C@H]1CCNC1=O ZINC001366737713 895445908 /nfs/dbraw/zinc/44/59/08/895445908.db2.gz GTEIVOXWYFVFSD-OLZOCXBDSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001366737713 895445919 /nfs/dbraw/zinc/44/59/19/895445919.db2.gz GTEIVOXWYFVFSD-OLZOCXBDSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001366737713 895445930 /nfs/dbraw/zinc/44/59/30/895445930.db2.gz GTEIVOXWYFVFSD-OLZOCXBDSA-N 2 1 294.399 -0.450 20 0 CBADMP CN(C)C(=O)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001366762875 895452449 /nfs/dbraw/zinc/45/24/49/895452449.db2.gz RFUANJWFJLBDQL-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001366762875 895452458 /nfs/dbraw/zinc/45/24/58/895452458.db2.gz RFUANJWFJLBDQL-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001366762875 895452468 /nfs/dbraw/zinc/45/24/68/895452468.db2.gz RFUANJWFJLBDQL-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366762875 895452479 /nfs/dbraw/zinc/45/24/79/895452479.db2.gz RFUANJWFJLBDQL-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC(=O)NC)C1 ZINC001366881424 895478253 /nfs/dbraw/zinc/47/82/53/895478253.db2.gz SBKHIJQVYSBLQF-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC)C1 ZINC001366881424 895478261 /nfs/dbraw/zinc/47/82/61/895478261.db2.gz SBKHIJQVYSBLQF-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NC)C1 ZINC001366881424 895478270 /nfs/dbraw/zinc/47/82/70/895478270.db2.gz SBKHIJQVYSBLQF-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP COC[C@@H](O)CN1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366937709 895495197 /nfs/dbraw/zinc/49/51/97/895495197.db2.gz APHAAJZSPMKMQQ-AAEUAGOBSA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001366990623 895517130 /nfs/dbraw/zinc/51/71/30/895517130.db2.gz HXIVZFGOSDOLFK-ZDUSSCGKSA-N 2 1 287.404 -0.618 20 0 CBADMP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001367011163 895524186 /nfs/dbraw/zinc/52/41/86/895524186.db2.gz IWNMIWWFROBICA-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001367011163 895524195 /nfs/dbraw/zinc/52/41/95/895524195.db2.gz IWNMIWWFROBICA-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001367011163 895524205 /nfs/dbraw/zinc/52/42/05/895524205.db2.gz IWNMIWWFROBICA-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001367011163 895524211 /nfs/dbraw/zinc/52/42/11/895524211.db2.gz IWNMIWWFROBICA-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001367058450 895547775 /nfs/dbraw/zinc/54/77/75/895547775.db2.gz BZDKNJDRKVSWIS-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001367058450 895547786 /nfs/dbraw/zinc/54/77/86/895547786.db2.gz BZDKNJDRKVSWIS-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001367058450 895547794 /nfs/dbraw/zinc/54/77/94/895547794.db2.gz BZDKNJDRKVSWIS-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001367058450 895547807 /nfs/dbraw/zinc/54/78/07/895547807.db2.gz BZDKNJDRKVSWIS-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001367080811 895551625 /nfs/dbraw/zinc/55/16/25/895551625.db2.gz OFSOECNUMXAJPF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001367080811 895551638 /nfs/dbraw/zinc/55/16/38/895551638.db2.gz OFSOECNUMXAJPF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001367080811 895551653 /nfs/dbraw/zinc/55/16/53/895551653.db2.gz OFSOECNUMXAJPF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001367080811 895551667 /nfs/dbraw/zinc/55/16/67/895551667.db2.gz OFSOECNUMXAJPF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001367065577 895552363 /nfs/dbraw/zinc/55/23/63/895552363.db2.gz RLVFEPHZSSMFQS-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001367065577 895552365 /nfs/dbraw/zinc/55/23/65/895552365.db2.gz RLVFEPHZSSMFQS-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001367065577 895552372 /nfs/dbraw/zinc/55/23/72/895552372.db2.gz RLVFEPHZSSMFQS-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001367065577 895552378 /nfs/dbraw/zinc/55/23/78/895552378.db2.gz RLVFEPHZSSMFQS-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001367060006 895553577 /nfs/dbraw/zinc/55/35/77/895553577.db2.gz CZIWHQDOWZMGGM-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001367060006 895553585 /nfs/dbraw/zinc/55/35/85/895553585.db2.gz CZIWHQDOWZMGGM-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001367060006 895553594 /nfs/dbraw/zinc/55/35/94/895553594.db2.gz CZIWHQDOWZMGGM-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001367060006 895553602 /nfs/dbraw/zinc/55/36/02/895553602.db2.gz CZIWHQDOWZMGGM-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001367060953 895555992 /nfs/dbraw/zinc/55/59/92/895555992.db2.gz HOOMAIYYJKQIKP-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001367060953 895556001 /nfs/dbraw/zinc/55/60/01/895556001.db2.gz HOOMAIYYJKQIKP-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001367060953 895556014 /nfs/dbraw/zinc/55/60/14/895556014.db2.gz HOOMAIYYJKQIKP-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001367060953 895556025 /nfs/dbraw/zinc/55/60/25/895556025.db2.gz HOOMAIYYJKQIKP-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+][C@@H]1CCNC1=O ZINC001367110960 895565998 /nfs/dbraw/zinc/56/59/98/895565998.db2.gz HORQZMGJKWPJER-VXGBXAGGSA-N 2 1 293.371 -0.436 20 0 CBADMP CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+][C@@H]1CCNC1=O ZINC001367110952 895566620 /nfs/dbraw/zinc/56/66/20/895566620.db2.gz HORQZMGJKWPJER-NWDGAFQWSA-N 2 1 293.371 -0.436 20 0 CBADMP CC[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]C[C@H](C)O ZINC001367123000 895570470 /nfs/dbraw/zinc/57/04/70/895570470.db2.gz JSPBIOFGCWWIGJ-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001367222083 895586233 /nfs/dbraw/zinc/58/62/33/895586233.db2.gz UZOLHHTZCGOBAB-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367242889 895593209 /nfs/dbraw/zinc/59/32/09/895593209.db2.gz XXRFZDXRVDKZAG-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001367263472 895598053 /nfs/dbraw/zinc/59/80/53/895598053.db2.gz CQRQOERFXNOFOW-STQMWFEESA-N 2 1 298.431 -0.064 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001367545238 895656385 /nfs/dbraw/zinc/65/63/85/895656385.db2.gz INMHPUAAHHTEKA-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001367545238 895656395 /nfs/dbraw/zinc/65/63/95/895656395.db2.gz INMHPUAAHHTEKA-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367545238 895656402 /nfs/dbraw/zinc/65/64/02/895656402.db2.gz INMHPUAAHHTEKA-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367545238 895656411 /nfs/dbraw/zinc/65/64/11/895656411.db2.gz INMHPUAAHHTEKA-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001367538514 895657534 /nfs/dbraw/zinc/65/75/34/895657534.db2.gz WTYCIRRUNUVBAF-GFCCVEGCSA-N 2 1 286.420 -0.195 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001367538514 895657540 /nfs/dbraw/zinc/65/75/40/895657540.db2.gz WTYCIRRUNUVBAF-GFCCVEGCSA-N 2 1 286.420 -0.195 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001367545235 895658557 /nfs/dbraw/zinc/65/85/57/895658557.db2.gz INMHPUAAHHTEKA-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001367545235 895658560 /nfs/dbraw/zinc/65/85/60/895658560.db2.gz INMHPUAAHHTEKA-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367545235 895658567 /nfs/dbraw/zinc/65/85/67/895658567.db2.gz INMHPUAAHHTEKA-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367545235 895658573 /nfs/dbraw/zinc/65/85/73/895658573.db2.gz INMHPUAAHHTEKA-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001367629762 895715122 /nfs/dbraw/zinc/71/51/22/895715122.db2.gz YJMQMLQQDUBLSI-CMPLNLGQSA-N 2 1 284.360 -0.707 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367681855 895744052 /nfs/dbraw/zinc/74/40/52/895744052.db2.gz AZULSTDOUIMRQY-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367708735 895760526 /nfs/dbraw/zinc/76/05/26/895760526.db2.gz ZRJJURWAAUNCPL-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367708558 895760675 /nfs/dbraw/zinc/76/06/75/895760675.db2.gz XQMJXPPXBAYSBY-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001367726031 895768144 /nfs/dbraw/zinc/76/81/44/895768144.db2.gz UDHIZCWVAHASRD-SRVKXCTJSA-N 2 1 273.377 -0.818 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001367754194 895790184 /nfs/dbraw/zinc/79/01/84/895790184.db2.gz DGCQZYQNMGGYFT-WCQYABFASA-N 2 1 296.419 -0.004 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001367775873 895802899 /nfs/dbraw/zinc/80/28/99/895802899.db2.gz JFQXHAZMVKGBMK-QWRGUYRKSA-N 2 1 272.393 -0.445 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001367771517 895803040 /nfs/dbraw/zinc/80/30/40/895803040.db2.gz JYVICJCKOIXBFT-JQWIXIFHSA-N 2 1 284.360 -0.707 20 0 CBADMP COC[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001367856759 895835248 /nfs/dbraw/zinc/83/52/48/895835248.db2.gz OPKDZBIYUASDAZ-AAEUAGOBSA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001367856759 895835262 /nfs/dbraw/zinc/83/52/62/895835262.db2.gz OPKDZBIYUASDAZ-AAEUAGOBSA-N 2 1 298.387 -0.365 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1)CC(C)(C)C ZINC001367900612 895850323 /nfs/dbraw/zinc/85/03/23/895850323.db2.gz LHRTZPMCSJMAFT-LBPRGKRZSA-N 2 1 298.431 -0.066 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367907293 895850710 /nfs/dbraw/zinc/85/07/10/895850710.db2.gz MDDBUPAXCPCNKV-VXGBXAGGSA-N 2 1 282.388 -0.560 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001367926902 895855274 /nfs/dbraw/zinc/85/52/74/895855274.db2.gz WDAYDEKXSYTCRM-NEPJUHHUSA-N 2 1 282.388 -0.832 20 0 CBADMP CC(C)OCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001367936927 895860404 /nfs/dbraw/zinc/86/04/04/895860404.db2.gz OTASIGFNOBROJW-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)OCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001367936927 895860414 /nfs/dbraw/zinc/86/04/14/895860414.db2.gz OTASIGFNOBROJW-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001367948771 895865553 /nfs/dbraw/zinc/86/55/53/895865553.db2.gz JSOCYULZQGUEBW-STQMWFEESA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001367948771 895865559 /nfs/dbraw/zinc/86/55/59/895865559.db2.gz JSOCYULZQGUEBW-STQMWFEESA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001367959836 895869282 /nfs/dbraw/zinc/86/92/82/895869282.db2.gz BFLPXVXEYHIUDC-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001367973776 895871808 /nfs/dbraw/zinc/87/18/08/895871808.db2.gz CGHROJVGSYRFKH-QWHCGFSZSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001367973776 895871816 /nfs/dbraw/zinc/87/18/16/895871816.db2.gz CGHROJVGSYRFKH-QWHCGFSZSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001367973776 895871827 /nfs/dbraw/zinc/87/18/27/895871827.db2.gz CGHROJVGSYRFKH-QWHCGFSZSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001367973776 895871834 /nfs/dbraw/zinc/87/18/34/895871834.db2.gz CGHROJVGSYRFKH-QWHCGFSZSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001367968121 895872675 /nfs/dbraw/zinc/87/26/75/895872675.db2.gz YKLCUNQSVHONDE-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001367968121 895872686 /nfs/dbraw/zinc/87/26/86/895872686.db2.gz YKLCUNQSVHONDE-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001368002876 895888116 /nfs/dbraw/zinc/88/81/16/895888116.db2.gz MGPWZSYSYIUHCT-GHMZBOCLSA-N 2 1 282.388 -0.689 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCn2cncn2)CC1 ZINC001368023184 895892894 /nfs/dbraw/zinc/89/28/94/895892894.db2.gz OZRWCLQCNKQDTE-GFCCVEGCSA-N 2 1 292.387 -0.389 20 0 CBADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001368037297 895895928 /nfs/dbraw/zinc/89/59/28/895895928.db2.gz VFRRBXLKBNAYRX-VXGBXAGGSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001368036359 895897276 /nfs/dbraw/zinc/89/72/76/895897276.db2.gz QFSQPWSSJRFFKG-QWRGUYRKSA-N 2 1 280.372 -0.935 20 0 CBADMP Cn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001368111223 895914752 /nfs/dbraw/zinc/91/47/52/895914752.db2.gz UNEWARBTNWMXQE-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001368162359 895922361 /nfs/dbraw/zinc/92/23/61/895922361.db2.gz NBLRTAKAOGYUQV-SMDDNHRTSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001368162359 895922368 /nfs/dbraw/zinc/92/23/68/895922368.db2.gz NBLRTAKAOGYUQV-SMDDNHRTSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001368161897 895922481 /nfs/dbraw/zinc/92/24/81/895922481.db2.gz MTKYIALYCJSHNQ-BXUZGUMPSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001368161902 895925908 /nfs/dbraw/zinc/92/59/08/895925908.db2.gz MTKYIALYCJSHNQ-SMDDNHRTSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001368222659 895935575 /nfs/dbraw/zinc/93/55/75/895935575.db2.gz FUGSSKCKSAOGGS-GFCCVEGCSA-N 2 1 285.388 -0.672 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001368259080 895950386 /nfs/dbraw/zinc/95/03/86/895950386.db2.gz JJDFGPSMXIJUGZ-TZMCWYRMSA-N 2 1 287.404 -0.738 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)CC1 ZINC001368264659 895955212 /nfs/dbraw/zinc/95/52/12/895955212.db2.gz PELUYZOWIXBOLR-AWEZNQCLSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)CC1 ZINC001368264659 895955219 /nfs/dbraw/zinc/95/52/19/895955219.db2.gz PELUYZOWIXBOLR-AWEZNQCLSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001368343564 895986733 /nfs/dbraw/zinc/98/67/33/895986733.db2.gz FTDVASNKRWJEPX-CLLJXQQHSA-N 2 1 296.415 -0.217 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001368471700 896020354 /nfs/dbraw/zinc/02/03/54/896020354.db2.gz YZXAVUYYRUGDCG-IGQOVBAYSA-N 2 1 299.415 -0.164 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001368471700 896020363 /nfs/dbraw/zinc/02/03/63/896020363.db2.gz YZXAVUYYRUGDCG-IGQOVBAYSA-N 2 1 299.415 -0.164 20 0 CBADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001368497131 896021569 /nfs/dbraw/zinc/02/15/69/896021569.db2.gz USUJINVWAYUQND-PHIMTYICSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001368521186 896025444 /nfs/dbraw/zinc/02/54/44/896025444.db2.gz KBIRWIPMIZSFRM-QNWHQSFQSA-N 2 1 296.415 -0.314 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001368536722 896031811 /nfs/dbraw/zinc/03/18/11/896031811.db2.gz MYZXMVODZXHSHG-NDBYEHHHSA-N 2 1 296.415 -0.443 20 0 CBADMP CN(CCC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCCC[NH+]1C ZINC001368549509 896033529 /nfs/dbraw/zinc/03/35/29/896033529.db2.gz QLZVUKDOBHYFJO-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CN(CCC[NH+](C)CC(N)=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001368549509 896033540 /nfs/dbraw/zinc/03/35/40/896033540.db2.gz QLZVUKDOBHYFJO-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CN(CCC[NH+](C)CC(N)=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001368549509 896033551 /nfs/dbraw/zinc/03/35/51/896033551.db2.gz QLZVUKDOBHYFJO-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001368612919 896046216 /nfs/dbraw/zinc/04/62/16/896046216.db2.gz LYBUDAHGSVCNSU-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001368612919 896046227 /nfs/dbraw/zinc/04/62/27/896046227.db2.gz LYBUDAHGSVCNSU-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001368748362 896074212 /nfs/dbraw/zinc/07/42/12/896074212.db2.gz KKEMDBBDKQEASE-RWMBFGLXSA-N 2 1 287.404 -0.570 20 0 CBADMP C[C@@H]([NH2+]Cc1nncn1C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001368896835 896106930 /nfs/dbraw/zinc/10/69/30/896106930.db2.gz AWVKFMYBWCZTQS-NEPJUHHUSA-N 2 1 294.403 -0.106 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001368988160 896127613 /nfs/dbraw/zinc/12/76/13/896127613.db2.gz LHNKBQQRRIAXAW-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001368988160 896127621 /nfs/dbraw/zinc/12/76/21/896127621.db2.gz LHNKBQQRRIAXAW-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001368975351 896129284 /nfs/dbraw/zinc/12/92/84/896129284.db2.gz SVXXVSOYMFNKJH-NEPJUHHUSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001368975351 896129294 /nfs/dbraw/zinc/12/92/94/896129294.db2.gz SVXXVSOYMFNKJH-NEPJUHHUSA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001368988161 896133589 /nfs/dbraw/zinc/13/35/89/896133589.db2.gz LHNKBQQRRIAXAW-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001368988161 896133596 /nfs/dbraw/zinc/13/35/96/896133596.db2.gz LHNKBQQRRIAXAW-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CCCC[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001369056792 896143252 /nfs/dbraw/zinc/14/32/52/896143252.db2.gz MXMXDIDCXACZDB-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP COCC[NH+]1CC([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001369095971 896153775 /nfs/dbraw/zinc/15/37/75/896153775.db2.gz HFYXWBOPAIIQQN-CYBMUJFWSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H](C)O)C2)C1 ZINC001369186790 896168788 /nfs/dbraw/zinc/16/87/88/896168788.db2.gz SJLBTYKRHJSCDA-AAVRWANBSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H](C)O)C2)C1 ZINC001369186790 896168793 /nfs/dbraw/zinc/16/87/93/896168793.db2.gz SJLBTYKRHJSCDA-AAVRWANBSA-N 2 1 299.415 -0.428 20 0 CBADMP C[C@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(N)=O ZINC001369253148 896180985 /nfs/dbraw/zinc/18/09/85/896180985.db2.gz SFIUJUISYQLEIW-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001369298257 896189919 /nfs/dbraw/zinc/18/99/19/896189919.db2.gz SKOSTFMRNQBKQB-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369309625 896199665 /nfs/dbraw/zinc/19/96/65/896199665.db2.gz VHYMILXPSMRXJW-QWRGUYRKSA-N 2 1 270.377 -0.879 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001369323869 896214611 /nfs/dbraw/zinc/21/46/11/896214611.db2.gz HRTROESBKNVAGK-VXGBXAGGSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001369323869 896214629 /nfs/dbraw/zinc/21/46/29/896214629.db2.gz HRTROESBKNVAGK-VXGBXAGGSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1conc1C)[NH+](C)C ZINC001369364150 896238250 /nfs/dbraw/zinc/23/82/50/896238250.db2.gz NACDLTDOYOGQHY-STQMWFEESA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369389950 896256374 /nfs/dbraw/zinc/25/63/74/896256374.db2.gz YLUAQIPXLJTZKE-DGCLKSJQSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369389950 896256381 /nfs/dbraw/zinc/25/63/81/896256381.db2.gz YLUAQIPXLJTZKE-DGCLKSJQSA-N 2 1 296.371 -0.499 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001369395228 896256447 /nfs/dbraw/zinc/25/64/47/896256447.db2.gz RUFAAQYLRIYMLR-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001369479449 896290739 /nfs/dbraw/zinc/29/07/39/896290739.db2.gz DXEYTOSCSKPPLP-AAEUAGOBSA-N 2 1 298.387 -0.365 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@@H](C)O ZINC001369488945 896291218 /nfs/dbraw/zinc/29/12/18/896291218.db2.gz LIHUEOFNTWJSHU-NEPJUHHUSA-N 2 1 275.393 -0.884 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001369866812 896355870 /nfs/dbraw/zinc/35/58/70/896355870.db2.gz BXUODSYRNGDTFJ-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001370045917 896394934 /nfs/dbraw/zinc/39/49/34/896394934.db2.gz OIVCSHFRTJEEEY-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001370045917 896394953 /nfs/dbraw/zinc/39/49/53/896394953.db2.gz OIVCSHFRTJEEEY-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001370045917 896394967 /nfs/dbraw/zinc/39/49/67/896394967.db2.gz OIVCSHFRTJEEEY-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001370045917 896394980 /nfs/dbraw/zinc/39/49/80/896394980.db2.gz OIVCSHFRTJEEEY-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001370179531 896407566 /nfs/dbraw/zinc/40/75/66/896407566.db2.gz CHJZVKNGTDRGOQ-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001370358159 896420893 /nfs/dbraw/zinc/42/08/93/896420893.db2.gz XXIGNSHLNHUDEG-XQQFMLRXSA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001370404100 896423092 /nfs/dbraw/zinc/42/30/92/896423092.db2.gz JSQZHUSRQQIDNZ-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001370443712 896428746 /nfs/dbraw/zinc/42/87/46/896428746.db2.gz IHLNAXFVGJWFLX-CYDGBPFRSA-N 2 1 285.388 -0.675 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001370443730 896429870 /nfs/dbraw/zinc/42/98/70/896429870.db2.gz IHLNAXFVGJWFLX-ZDEQEGDKSA-N 2 1 285.388 -0.675 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001370964435 896524749 /nfs/dbraw/zinc/52/47/49/896524749.db2.gz ORSWIDICCMMRQY-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)NCc1nnnn1C ZINC001371235639 896582702 /nfs/dbraw/zinc/58/27/02/896582702.db2.gz JQEIHCCLXHBGKN-WDEREUQCSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCCCN1C)NCc1nnnn1C ZINC001371235639 896582711 /nfs/dbraw/zinc/58/27/11/896582711.db2.gz JQEIHCCLXHBGKN-WDEREUQCSA-N 2 1 295.391 -0.711 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001371321553 896591890 /nfs/dbraw/zinc/59/18/90/896591890.db2.gz RGASNZSQQNZGPB-QWRGUYRKSA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001371361724 896595873 /nfs/dbraw/zinc/59/58/73/896595873.db2.gz GORGCPCHIYQSLF-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001371417469 896605829 /nfs/dbraw/zinc/60/58/29/896605829.db2.gz JQDVXMQHODIFMB-JTQLQIEISA-N 2 1 292.387 -0.197 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)c1nnnn1C ZINC001371472798 896620406 /nfs/dbraw/zinc/62/04/06/896620406.db2.gz NHRLYCYQYRNTKL-QWRGUYRKSA-N 2 1 295.391 -0.539 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1cnnn1C ZINC001371476209 896621118 /nfs/dbraw/zinc/62/11/18/896621118.db2.gz VNXDLDNCDZIJDR-SNVBAGLBSA-N 2 1 291.359 -0.385 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001371529203 896629092 /nfs/dbraw/zinc/62/90/92/896629092.db2.gz KLUCUZGGVHAUIY-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001371539036 896631957 /nfs/dbraw/zinc/63/19/57/896631957.db2.gz PCYDQMZFJXAYEM-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001371538968 896632332 /nfs/dbraw/zinc/63/23/32/896632332.db2.gz MUFFHMMRMVBACY-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001371612086 896645341 /nfs/dbraw/zinc/64/53/41/896645341.db2.gz FJQWSBNULUWPBR-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001371661229 896648295 /nfs/dbraw/zinc/64/82/95/896648295.db2.gz UXEAEEFSDSYQLM-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001371889903 896673686 /nfs/dbraw/zinc/67/36/86/896673686.db2.gz VCWUVZJRLJFTMB-LLVKDONJSA-N 2 1 272.393 -0.443 20 0 CBADMP CN1CC[C@H]([NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001371929386 896685921 /nfs/dbraw/zinc/68/59/21/896685921.db2.gz XXJRZRIMPOCDGH-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CN1CC[C@H]([N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001371929386 896685902 /nfs/dbraw/zinc/68/59/02/896685902.db2.gz XXJRZRIMPOCDGH-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001371929386 896685907 /nfs/dbraw/zinc/68/59/07/896685907.db2.gz XXJRZRIMPOCDGH-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP CN1CC[C@H]([NH+](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001371929386 896685914 /nfs/dbraw/zinc/68/59/14/896685914.db2.gz XXJRZRIMPOCDGH-NEPJUHHUSA-N 2 1 282.388 -0.641 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCN1CCNC1=O ZINC001371925443 896686137 /nfs/dbraw/zinc/68/61/37/896686137.db2.gz IQQVLNMLDWAMLJ-LBPRGKRZSA-N 2 1 297.403 -0.846 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CCN1CCNC1=O ZINC001371925443 896686145 /nfs/dbraw/zinc/68/61/45/896686145.db2.gz IQQVLNMLDWAMLJ-LBPRGKRZSA-N 2 1 297.403 -0.846 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CCN1CCNC1=O ZINC001371925443 896686156 /nfs/dbraw/zinc/68/61/56/896686156.db2.gz IQQVLNMLDWAMLJ-LBPRGKRZSA-N 2 1 297.403 -0.846 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001372028968 896709385 /nfs/dbraw/zinc/70/93/85/896709385.db2.gz MDLUYNYPDRPRMO-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001372028968 896709405 /nfs/dbraw/zinc/70/94/05/896709405.db2.gz MDLUYNYPDRPRMO-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001372099880 896729003 /nfs/dbraw/zinc/72/90/03/896729003.db2.gz ZICCROPFFOZXCQ-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001372099880 896729013 /nfs/dbraw/zinc/72/90/13/896729013.db2.gz ZICCROPFFOZXCQ-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP CN1CC[C@@H]([N@H+](C)CCNC(=O)C[C@H]2CC[NH+](C)C2)C1=O ZINC001372183157 896740489 /nfs/dbraw/zinc/74/04/89/896740489.db2.gz MEQWJRTZZYOIFH-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCNC(=O)C[C@H]2CC[NH+](C)C2)C1=O ZINC001372183157 896740499 /nfs/dbraw/zinc/74/04/99/896740499.db2.gz MEQWJRTZZYOIFH-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001372183157 896740510 /nfs/dbraw/zinc/74/05/10/896740510.db2.gz MEQWJRTZZYOIFH-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001372183157 896740520 /nfs/dbraw/zinc/74/05/20/896740520.db2.gz MEQWJRTZZYOIFH-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@@H]([N@H+](C)CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1=O ZINC001372183159 896741212 /nfs/dbraw/zinc/74/12/12/896741212.db2.gz MEQWJRTZZYOIFH-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1=O ZINC001372183159 896741222 /nfs/dbraw/zinc/74/12/22/896741222.db2.gz MEQWJRTZZYOIFH-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001372183159 896741231 /nfs/dbraw/zinc/74/12/31/896741231.db2.gz MEQWJRTZZYOIFH-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001372183159 896741239 /nfs/dbraw/zinc/74/12/39/896741239.db2.gz MEQWJRTZZYOIFH-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)[C@H]1CCN(C)C1=O ZINC001372409900 896782711 /nfs/dbraw/zinc/78/27/11/896782711.db2.gz NNCVMSKKESUJFX-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H]1CCCNC1=O ZINC001372394413 896784218 /nfs/dbraw/zinc/78/42/18/896784218.db2.gz ICYKWZQESOUKTN-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCCNC1=O ZINC001372394413 896784222 /nfs/dbraw/zinc/78/42/22/896784222.db2.gz ICYKWZQESOUKTN-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCCNC1=O ZINC001372394413 896784227 /nfs/dbraw/zinc/78/42/27/896784227.db2.gz ICYKWZQESOUKTN-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N(C)C)[NH+](C)C ZINC001372545396 896807763 /nfs/dbraw/zinc/80/77/63/896807763.db2.gz AXGQSPVTIKOSDH-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N(C)C)[NH+](C)C ZINC001372545396 896807773 /nfs/dbraw/zinc/80/77/73/896807773.db2.gz AXGQSPVTIKOSDH-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001372855916 896890084 /nfs/dbraw/zinc/89/00/84/896890084.db2.gz AXAZGDOWGYDXHL-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001372912387 896899395 /nfs/dbraw/zinc/89/93/95/896899395.db2.gz ZYVMNJNGVWZGNV-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001372912401 896899880 /nfs/dbraw/zinc/89/98/80/896899880.db2.gz ZYVMNJNGVWZGNV-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001372919076 896902600 /nfs/dbraw/zinc/90/26/00/896902600.db2.gz DNINQBPWUQSBRS-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001372919065 896904727 /nfs/dbraw/zinc/90/47/27/896904727.db2.gz DNINQBPWUQSBRS-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001372994115 896919869 /nfs/dbraw/zinc/91/98/69/896919869.db2.gz TZIFJPQVVIJQKX-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]CC(N)=O)c1ccccc1 ZINC001373039172 896933531 /nfs/dbraw/zinc/93/35/31/896933531.db2.gz VOGDBXAZLXHVFN-CYBMUJFWSA-N 2 1 292.383 -0.130 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001373159564 896951178 /nfs/dbraw/zinc/95/11/78/896951178.db2.gz OWPWTBVDKFIQDO-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373159564 896951190 /nfs/dbraw/zinc/95/11/90/896951190.db2.gz OWPWTBVDKFIQDO-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373159564 896951198 /nfs/dbraw/zinc/95/11/98/896951198.db2.gz OWPWTBVDKFIQDO-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[C@H](C(=O)N1CCC(C[N@@H+](C)CC(N)=O)CC1)[NH+](C)C ZINC001373321806 896972348 /nfs/dbraw/zinc/97/23/48/896972348.db2.gz XPSRGMFJEPTERZ-CYBMUJFWSA-N 2 1 298.431 -0.018 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001373311811 896973838 /nfs/dbraw/zinc/97/38/38/896973838.db2.gz KDLRQWBNJQLSSS-NEPJUHHUSA-N 2 1 282.388 -0.796 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001373311811 896973844 /nfs/dbraw/zinc/97/38/44/896973844.db2.gz KDLRQWBNJQLSSS-NEPJUHHUSA-N 2 1 282.388 -0.796 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001373311811 896973852 /nfs/dbraw/zinc/97/38/52/896973852.db2.gz KDLRQWBNJQLSSS-NEPJUHHUSA-N 2 1 282.388 -0.796 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001373370417 896985864 /nfs/dbraw/zinc/98/58/64/896985864.db2.gz VYTSFSXNPFMXLI-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001373370417 896985870 /nfs/dbraw/zinc/98/58/70/896985870.db2.gz VYTSFSXNPFMXLI-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001373370417 896985884 /nfs/dbraw/zinc/98/58/84/896985884.db2.gz VYTSFSXNPFMXLI-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CCNC(=O)C[NH+]1CCCC1 ZINC001373457095 897020896 /nfs/dbraw/zinc/02/08/96/897020896.db2.gz SUWXEUWUDWZERS-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP CC[C@H](C(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001373513361 897038343 /nfs/dbraw/zinc/03/83/43/897038343.db2.gz ADCQTVHIFMCUSC-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001373521134 897038882 /nfs/dbraw/zinc/03/88/82/897038882.db2.gz DVRWAMQOMSVJGS-ZDUSSCGKSA-N 2 1 296.371 -0.753 20 0 CBADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)COC)[NH+](C)C ZINC001373577762 897059877 /nfs/dbraw/zinc/05/98/77/897059877.db2.gz HXWSTEZJIUOUBU-FQUUOJAGSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)COC)[NH+](C)C ZINC001373577762 897059890 /nfs/dbraw/zinc/05/98/90/897059890.db2.gz HXWSTEZJIUOUBU-FQUUOJAGSA-N 2 1 299.415 -0.381 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001373596631 897064263 /nfs/dbraw/zinc/06/42/63/897064263.db2.gz SOYBPJWAMFJNGP-STQMWFEESA-N 2 1 296.371 -0.611 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001373596631 897064268 /nfs/dbraw/zinc/06/42/68/897064268.db2.gz SOYBPJWAMFJNGP-STQMWFEESA-N 2 1 296.371 -0.611 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001373605463 897071959 /nfs/dbraw/zinc/07/19/59/897071959.db2.gz DMTMZXCVQBURBZ-STQMWFEESA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001373639561 897084798 /nfs/dbraw/zinc/08/47/98/897084798.db2.gz BRODZRFFZHFDGE-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001373639561 897084805 /nfs/dbraw/zinc/08/48/05/897084805.db2.gz BRODZRFFZHFDGE-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001373639561 897084812 /nfs/dbraw/zinc/08/48/12/897084812.db2.gz BRODZRFFZHFDGE-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001373648390 897087430 /nfs/dbraw/zinc/08/74/30/897087430.db2.gz FVPYNNUEECSIID-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001373648390 897087443 /nfs/dbraw/zinc/08/74/43/897087443.db2.gz FVPYNNUEECSIID-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001373648390 897087462 /nfs/dbraw/zinc/08/74/62/897087462.db2.gz FVPYNNUEECSIID-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001373648390 897087473 /nfs/dbraw/zinc/08/74/73/897087473.db2.gz FVPYNNUEECSIID-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP COC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001373643612 897088227 /nfs/dbraw/zinc/08/82/27/897088227.db2.gz HVOTYPWOSAJRBS-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001373643612 897088239 /nfs/dbraw/zinc/08/82/39/897088239.db2.gz HVOTYPWOSAJRBS-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001373652355 897091984 /nfs/dbraw/zinc/09/19/84/897091984.db2.gz XTVNUPKSPYDHJR-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001373652355 897091997 /nfs/dbraw/zinc/09/19/97/897091997.db2.gz XTVNUPKSPYDHJR-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001373680163 897094644 /nfs/dbraw/zinc/09/46/44/897094644.db2.gz DDXYUTQXZLWMLO-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001373680163 897094658 /nfs/dbraw/zinc/09/46/58/897094658.db2.gz DDXYUTQXZLWMLO-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001373784319 897124585 /nfs/dbraw/zinc/12/45/85/897124585.db2.gz ZNJIJZUOBFGTQR-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001373834669 897129497 /nfs/dbraw/zinc/12/94/97/897129497.db2.gz XIKYKGPAGRWLIZ-MNOVXSKESA-N 2 1 295.391 -0.854 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001373834669 897129503 /nfs/dbraw/zinc/12/95/03/897129503.db2.gz XIKYKGPAGRWLIZ-MNOVXSKESA-N 2 1 295.391 -0.854 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001373974003 897145502 /nfs/dbraw/zinc/14/55/02/897145502.db2.gz LPTVIQNMZWCACM-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001374017630 897154030 /nfs/dbraw/zinc/15/40/30/897154030.db2.gz WRMZGWGFSUZURL-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001374017626 897154466 /nfs/dbraw/zinc/15/44/66/897154466.db2.gz WRMZGWGFSUZURL-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374027329 897158554 /nfs/dbraw/zinc/15/85/54/897158554.db2.gz ZMEZQJCSKLPMLN-QJPTWQEYSA-N 2 1 284.404 -0.586 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1nnn(C)n1)[NH+](C)C ZINC001374078151 897163515 /nfs/dbraw/zinc/16/35/15/897163515.db2.gz NNRDWGHYECWOBH-MNOVXSKESA-N 2 1 297.407 -0.608 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1nncn1C ZINC001374111871 897171965 /nfs/dbraw/zinc/17/19/65/897171965.db2.gz GKUZWVYMTKOZRF-LBPRGKRZSA-N 2 1 296.419 -0.003 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374281483 897203485 /nfs/dbraw/zinc/20/34/85/897203485.db2.gz OHPVHAPKOMSJDE-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ncnn1C ZINC001374430449 897223452 /nfs/dbraw/zinc/22/34/52/897223452.db2.gz CTJFTYFCFQYXDD-LBPRGKRZSA-N 2 1 296.419 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001374576450 897271088 /nfs/dbraw/zinc/27/10/88/897271088.db2.gz UNXZMFXPFMBWOZ-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC2CCC2)C1 ZINC001374586012 897283424 /nfs/dbraw/zinc/28/34/24/897283424.db2.gz FDTFUZNAQHCJEL-OLZOCXBDSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC2CCC2)C1 ZINC001374586012 897283438 /nfs/dbraw/zinc/28/34/38/897283438.db2.gz FDTFUZNAQHCJEL-OLZOCXBDSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC1CCOCC1 ZINC001374636136 897321912 /nfs/dbraw/zinc/32/19/12/897321912.db2.gz XUJLOFAVTIJHRT-ZIAGYGMSSA-N 2 1 299.415 -0.426 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001374671550 897336260 /nfs/dbraw/zinc/33/62/60/897336260.db2.gz YJOVJDPYDAXLPH-UHFFFAOYSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC1CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001374671550 897336274 /nfs/dbraw/zinc/33/62/74/897336274.db2.gz YJOVJDPYDAXLPH-UHFFFAOYSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001374671550 897336290 /nfs/dbraw/zinc/33/62/90/897336290.db2.gz YJOVJDPYDAXLPH-UHFFFAOYSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccn1 ZINC001374685914 897344203 /nfs/dbraw/zinc/34/42/03/897344203.db2.gz QKNBHNBZDZIWCE-AWEZNQCLSA-N 2 1 294.399 -0.012 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)Cn1cc[nH+]c1C ZINC001374723103 897357574 /nfs/dbraw/zinc/35/75/74/897357574.db2.gz LOMZARSJGFJVEB-JTQLQIEISA-N 2 1 281.360 -0.497 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374756286 897374210 /nfs/dbraw/zinc/37/42/10/897374210.db2.gz MOINALDMTDFAEL-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374752815 897374316 /nfs/dbraw/zinc/37/43/16/897374316.db2.gz MMLNQTIXYRQEQP-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374752822 897375220 /nfs/dbraw/zinc/37/52/20/897375220.db2.gz MMLNQTIXYRQEQP-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374752820 897376727 /nfs/dbraw/zinc/37/67/27/897376727.db2.gz MMLNQTIXYRQEQP-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374811839 897400666 /nfs/dbraw/zinc/40/06/66/897400666.db2.gz YYUXKXNTISXRDE-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnnn1C ZINC001374833541 897406554 /nfs/dbraw/zinc/40/65/54/897406554.db2.gz LQQNGDYHVUZXTM-MNOVXSKESA-N 2 1 297.407 -0.293 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnnn1C ZINC001374833541 897406560 /nfs/dbraw/zinc/40/65/60/897406560.db2.gz LQQNGDYHVUZXTM-MNOVXSKESA-N 2 1 297.407 -0.293 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374932782 897435686 /nfs/dbraw/zinc/43/56/86/897435686.db2.gz ARORAAAWKRAFBP-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374932782 897435692 /nfs/dbraw/zinc/43/56/92/897435692.db2.gz ARORAAAWKRAFBP-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1cnnn1C ZINC001374950366 897437946 /nfs/dbraw/zinc/43/79/46/897437946.db2.gz GJIYSQUDGSAGLA-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374963012 897442857 /nfs/dbraw/zinc/44/28/57/897442857.db2.gz ZRJJURWAAUNCPL-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001375099049 897477544 /nfs/dbraw/zinc/47/75/44/897477544.db2.gz KEQOWMGKVIOCNS-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001375099049 897477551 /nfs/dbraw/zinc/47/75/51/897477551.db2.gz KEQOWMGKVIOCNS-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001375098165 897477741 /nfs/dbraw/zinc/47/77/41/897477741.db2.gz ILCOBMBXXYHKPB-QWRGUYRKSA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001375098165 897477746 /nfs/dbraw/zinc/47/77/46/897477746.db2.gz ILCOBMBXXYHKPB-QWRGUYRKSA-N 2 1 272.393 -0.491 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001375277126 897506617 /nfs/dbraw/zinc/50/66/17/897506617.db2.gz JYKAUEJATMZFJS-CMPLNLGQSA-N 2 1 284.404 -0.315 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001375559413 897566006 /nfs/dbraw/zinc/56/60/06/897566006.db2.gz HGDHAVFDEIGIOA-WNGYAQOMSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)[C@@H]1C)[NH+](C)C ZINC001375659068 897580866 /nfs/dbraw/zinc/58/08/66/897580866.db2.gz KVXXCVWQRQHNBH-FRRDWIJNSA-N 2 1 298.431 -0.006 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)[C@@H]1C)[NH+](C)C ZINC001375659068 897580877 /nfs/dbraw/zinc/58/08/77/897580877.db2.gz KVXXCVWQRQHNBH-FRRDWIJNSA-N 2 1 298.431 -0.006 20 0 CBADMP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001375759111 897603242 /nfs/dbraw/zinc/60/32/42/897603242.db2.gz ZEHTVWFYQJPGHF-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001375764644 897603648 /nfs/dbraw/zinc/60/36/48/897603648.db2.gz ZRVHNMLRRQCPOF-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCCO)C1 ZINC001376043806 897640163 /nfs/dbraw/zinc/64/01/63/897640163.db2.gz BGQZJRQAVZBJMF-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001376043806 897640175 /nfs/dbraw/zinc/64/01/75/897640175.db2.gz BGQZJRQAVZBJMF-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001376043806 897640186 /nfs/dbraw/zinc/64/01/86/897640186.db2.gz BGQZJRQAVZBJMF-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001376074138 897645672 /nfs/dbraw/zinc/64/56/72/897645672.db2.gz AWUQQBXRCWUSIQ-CYBMUJFWSA-N 2 1 275.368 -0.149 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376076754 897647656 /nfs/dbraw/zinc/64/76/56/897647656.db2.gz XGTKYILKSIIYRG-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376076754 897647662 /nfs/dbraw/zinc/64/76/62/897647662.db2.gz XGTKYILKSIIYRG-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCN1CC[NH+](CCO)CC1 ZINC001376113804 897658012 /nfs/dbraw/zinc/65/80/12/897658012.db2.gz JUMHHQZUPJISEC-UHFFFAOYSA-N 2 1 286.420 -0.946 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001376152907 897677556 /nfs/dbraw/zinc/67/75/56/897677556.db2.gz OVQGRCQJRPXVHQ-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001376152907 897677566 /nfs/dbraw/zinc/67/75/66/897677566.db2.gz OVQGRCQJRPXVHQ-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP COC[C@H](O)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001376241105 897694396 /nfs/dbraw/zinc/69/43/96/897694396.db2.gz NDSZJDTUYUZNED-MGPQQGTHSA-N 2 1 299.415 -0.428 20 0 CBADMP Cn1cc(C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C2CC2)nn1 ZINC001376246143 897697628 /nfs/dbraw/zinc/69/76/28/897697628.db2.gz WIFATRFSUZGIGJ-CYBMUJFWSA-N 2 1 294.403 -0.249 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001376418386 897729856 /nfs/dbraw/zinc/72/98/56/897729856.db2.gz NMZPAHKKIOCNRB-BETUJISGSA-N 2 1 296.415 -0.536 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001376469494 897749027 /nfs/dbraw/zinc/74/90/27/897749027.db2.gz NBGZWIOLINDHFG-FVCCEPFGSA-N 2 1 296.415 -0.158 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001376508399 897763011 /nfs/dbraw/zinc/76/30/11/897763011.db2.gz CCHIGDVXZIQPKL-BETUJISGSA-N 2 1 296.415 -0.158 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001376748362 897832170 /nfs/dbraw/zinc/83/21/70/897832170.db2.gz WCMKMPXZQVQLOE-LBPRGKRZSA-N 2 1 296.415 -0.025 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001376767243 897838671 /nfs/dbraw/zinc/83/86/71/897838671.db2.gz UKXNDPTZEUEPCK-YPMHNXCESA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001376803343 897853360 /nfs/dbraw/zinc/85/33/60/897853360.db2.gz PASLRXBBFJEYOR-WCQYABFASA-N 2 1 296.419 -0.004 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001376871679 897874694 /nfs/dbraw/zinc/87/46/94/897874694.db2.gz BAQLQBVMMCUHEJ-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001376871679 897874702 /nfs/dbraw/zinc/87/47/02/897874702.db2.gz BAQLQBVMMCUHEJ-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)CCC1 ZINC001376874862 897875285 /nfs/dbraw/zinc/87/52/85/897875285.db2.gz ALCJHTWGBCEUGC-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376882182 897881705 /nfs/dbraw/zinc/88/17/05/897881705.db2.gz NOCJYDKIOHDYDD-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001376944980 897900472 /nfs/dbraw/zinc/90/04/72/897900472.db2.gz BEICXNNWUAKIFE-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(N)=O ZINC001377037543 897918922 /nfs/dbraw/zinc/91/89/22/897918922.db2.gz SKSZKJPGAXDTGI-JTQLQIEISA-N 2 1 270.377 -0.560 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001377108253 897932066 /nfs/dbraw/zinc/93/20/66/897932066.db2.gz LGHPFKJSGJSYMI-PWSUYJOCSA-N 2 1 293.371 -0.436 20 0 CBADMP CN1CCC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001377133026 897941838 /nfs/dbraw/zinc/94/18/38/897941838.db2.gz UZZOOGBAJPRBPY-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CCC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001377133026 897941848 /nfs/dbraw/zinc/94/18/48/897941848.db2.gz UZZOOGBAJPRBPY-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CCC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001377133026 897941857 /nfs/dbraw/zinc/94/18/57/897941857.db2.gz UZZOOGBAJPRBPY-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CCC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001377133026 897941869 /nfs/dbraw/zinc/94/18/69/897941869.db2.gz UZZOOGBAJPRBPY-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001377159749 897954015 /nfs/dbraw/zinc/95/40/15/897954015.db2.gz HGQXCILUJTVZJJ-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001377159749 897954027 /nfs/dbraw/zinc/95/40/27/897954027.db2.gz HGQXCILUJTVZJJ-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)[C@@H]2CCCNC2=O)CC[NH+]1C ZINC001377159749 897954037 /nfs/dbraw/zinc/95/40/37/897954037.db2.gz HGQXCILUJTVZJJ-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)[C@@H]2CCCNC2=O)CC[NH+]1C ZINC001377159749 897954049 /nfs/dbraw/zinc/95/40/49/897954049.db2.gz HGQXCILUJTVZJJ-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@H](C)C(N)=O)CC[N@@H+]1C ZINC001377158871 897955649 /nfs/dbraw/zinc/95/56/49/897955649.db2.gz CTUHBCJJTYLNFG-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@H](C)C(N)=O)CC[N@H+]1C ZINC001377158871 897955657 /nfs/dbraw/zinc/95/56/57/897955657.db2.gz CTUHBCJJTYLNFG-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)[C@H](C)C(N)=O)CC[NH+]1C ZINC001377158871 897955667 /nfs/dbraw/zinc/95/56/67/897955667.db2.gz CTUHBCJJTYLNFG-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O)CC[NH+]1C ZINC001377158871 897955677 /nfs/dbraw/zinc/95/56/77/897955677.db2.gz CTUHBCJJTYLNFG-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001377178648 897960170 /nfs/dbraw/zinc/96/01/70/897960170.db2.gz VYBAMHKETNJQEE-AWEZNQCLSA-N 2 1 287.404 -0.738 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001377231849 897974392 /nfs/dbraw/zinc/97/43/92/897974392.db2.gz VNVXHRZTLZNKEV-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@H](O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001377231849 897974404 /nfs/dbraw/zinc/97/44/04/897974404.db2.gz VNVXHRZTLZNKEV-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@H](O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001377231849 897974414 /nfs/dbraw/zinc/97/44/14/897974414.db2.gz VNVXHRZTLZNKEV-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)C[C@@H](C)OC)C1 ZINC001377264243 897992657 /nfs/dbraw/zinc/99/26/57/897992657.db2.gz AOSUECZLKSBXPQ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)C[C@@H](C)OC)C1 ZINC001377264243 897992677 /nfs/dbraw/zinc/99/26/77/897992677.db2.gz AOSUECZLKSBXPQ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)C[C@@H](C)OC)C1 ZINC001377264243 897992691 /nfs/dbraw/zinc/99/26/91/897992691.db2.gz AOSUECZLKSBXPQ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)C[C@@H](C)OC)C1 ZINC001377264243 897992704 /nfs/dbraw/zinc/99/27/04/897992704.db2.gz AOSUECZLKSBXPQ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H](C)C(=O)N(C)C ZINC001377293563 898002976 /nfs/dbraw/zinc/00/29/76/898002976.db2.gz YRGCREOTIMZJRK-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@@H](C)C(=O)N(C)C ZINC001377293563 898002990 /nfs/dbraw/zinc/00/29/90/898002990.db2.gz YRGCREOTIMZJRK-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H](C)C(=O)N(C)C ZINC001377293563 898002960 /nfs/dbraw/zinc/00/29/60/898002960.db2.gz YRGCREOTIMZJRK-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@@H](C)C(=O)N(C)C ZINC001377293563 898003008 /nfs/dbraw/zinc/00/30/08/898003008.db2.gz YRGCREOTIMZJRK-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@H]1CCNC1=O ZINC001377306466 898006243 /nfs/dbraw/zinc/00/62/43/898006243.db2.gz VETNABDRXSBMBD-NSHDSACASA-N 2 1 280.372 -0.981 20 0 CBADMP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@H]1CCNC1=O ZINC001377306466 898006258 /nfs/dbraw/zinc/00/62/58/898006258.db2.gz VETNABDRXSBMBD-NSHDSACASA-N 2 1 280.372 -0.981 20 0 CBADMP CNC(=O)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001377523702 898076627 /nfs/dbraw/zinc/07/66/27/898076627.db2.gz NHPKNUIVBYDBRS-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001377523702 898076634 /nfs/dbraw/zinc/07/66/34/898076634.db2.gz NHPKNUIVBYDBRS-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001377523702 898076640 /nfs/dbraw/zinc/07/66/40/898076640.db2.gz NHPKNUIVBYDBRS-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001377523702 898076650 /nfs/dbraw/zinc/07/66/50/898076650.db2.gz NHPKNUIVBYDBRS-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O)[NH+](C)C ZINC001377553089 898086151 /nfs/dbraw/zinc/08/61/51/898086151.db2.gz IENFXNQKSAFLEJ-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O)[NH+](C)C ZINC001377553089 898086154 /nfs/dbraw/zinc/08/61/54/898086154.db2.gz IENFXNQKSAFLEJ-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001377732058 898123425 /nfs/dbraw/zinc/12/34/25/898123425.db2.gz QKVYDUBCXQPVKU-UHFFFAOYSA-N 2 1 270.377 -0.702 20 0 CBADMP CN(CCN1CC[NH+](CCO)CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377740238 898124279 /nfs/dbraw/zinc/12/42/79/898124279.db2.gz LXYDAGAAKAOVLT-CQSZACIVSA-N 2 1 298.431 -0.994 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C[N@H+](C)CCO)C1 ZINC001377746608 898126089 /nfs/dbraw/zinc/12/60/89/898126089.db2.gz DACOXNKOYFZJRF-CYBMUJFWSA-N 2 1 280.372 -0.036 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001377746608 898126095 /nfs/dbraw/zinc/12/60/95/898126095.db2.gz DACOXNKOYFZJRF-CYBMUJFWSA-N 2 1 280.372 -0.036 20 0 CBADMP CNC(=O)C[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001377796028 898140626 /nfs/dbraw/zinc/14/06/26/898140626.db2.gz NLCXTNKERYPXED-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001377855980 898146415 /nfs/dbraw/zinc/14/64/15/898146415.db2.gz XEEGMYDANNYLFW-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001377855980 898146422 /nfs/dbraw/zinc/14/64/22/898146422.db2.gz XEEGMYDANNYLFW-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001377849115 898147487 /nfs/dbraw/zinc/14/74/87/898147487.db2.gz MPJUVBWWOAGGGL-WDEREUQCSA-N 2 1 282.392 -0.250 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001377899673 898166151 /nfs/dbraw/zinc/16/61/51/898166151.db2.gz DAHUWTQSPNLXMY-QWRGUYRKSA-N 2 1 295.387 -0.190 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001378014061 898195993 /nfs/dbraw/zinc/19/59/93/898195993.db2.gz DAPCAWXHCFTIIO-OCCSQVGLSA-N 2 1 299.415 -0.617 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001378069109 898223815 /nfs/dbraw/zinc/22/38/15/898223815.db2.gz YLVKVUILFJRXFQ-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001378069109 898223828 /nfs/dbraw/zinc/22/38/28/898223828.db2.gz YLVKVUILFJRXFQ-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001378112930 898237875 /nfs/dbraw/zinc/23/78/75/898237875.db2.gz DVLRSURKGRJMRR-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001378112930 898237891 /nfs/dbraw/zinc/23/78/91/898237891.db2.gz DVLRSURKGRJMRR-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001378112930 898237907 /nfs/dbraw/zinc/23/79/07/898237907.db2.gz DVLRSURKGRJMRR-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001378120826 898245878 /nfs/dbraw/zinc/24/58/78/898245878.db2.gz MFYOKYLDULNQIP-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001378120826 898245892 /nfs/dbraw/zinc/24/58/92/898245892.db2.gz MFYOKYLDULNQIP-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CO[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001378128032 898246558 /nfs/dbraw/zinc/24/65/58/898246558.db2.gz XZCNJHQCZFTRRG-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001378128032 898246568 /nfs/dbraw/zinc/24/65/68/898246568.db2.gz XZCNJHQCZFTRRG-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC(=O)N1CCCC1 ZINC001378118918 898246915 /nfs/dbraw/zinc/24/69/15/898246915.db2.gz BEWBSFIIENPEKI-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC(=O)N1CCCC1 ZINC001378118918 898246928 /nfs/dbraw/zinc/24/69/28/898246928.db2.gz BEWBSFIIENPEKI-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001378141057 898252601 /nfs/dbraw/zinc/25/26/01/898252601.db2.gz MLRGISMTCOLUCV-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)CN(C)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001378141057 898252587 /nfs/dbraw/zinc/25/25/87/898252587.db2.gz MLRGISMTCOLUCV-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001378141057 898252619 /nfs/dbraw/zinc/25/26/19/898252619.db2.gz MLRGISMTCOLUCV-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001378141057 898252652 /nfs/dbraw/zinc/25/26/52/898252652.db2.gz MLRGISMTCOLUCV-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378162585 898258115 /nfs/dbraw/zinc/25/81/15/898258115.db2.gz CJIGFMRJXXDWCC-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378163654 898259061 /nfs/dbraw/zinc/25/90/61/898259061.db2.gz IBZQTMMLVJYMFB-LLVKDONJSA-N 2 1 270.377 -0.783 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378163654 898259071 /nfs/dbraw/zinc/25/90/71/898259071.db2.gz IBZQTMMLVJYMFB-LLVKDONJSA-N 2 1 270.377 -0.783 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001378178201 898265547 /nfs/dbraw/zinc/26/55/47/898265547.db2.gz ABEPBWQFRCUMMW-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001378178201 898265563 /nfs/dbraw/zinc/26/55/63/898265563.db2.gz ABEPBWQFRCUMMW-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001378207518 898274908 /nfs/dbraw/zinc/27/49/08/898274908.db2.gz WYFMCLCIBMUDGZ-NWDGAFQWSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001378207518 898274926 /nfs/dbraw/zinc/27/49/26/898274926.db2.gz WYFMCLCIBMUDGZ-NWDGAFQWSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001378207518 898274941 /nfs/dbraw/zinc/27/49/41/898274941.db2.gz WYFMCLCIBMUDGZ-NWDGAFQWSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001378207518 898274958 /nfs/dbraw/zinc/27/49/58/898274958.db2.gz WYFMCLCIBMUDGZ-NWDGAFQWSA-N 2 1 284.404 -0.267 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001378221774 898281610 /nfs/dbraw/zinc/28/16/10/898281610.db2.gz RGXCPATWOFMZNL-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001378221774 898281622 /nfs/dbraw/zinc/28/16/22/898281622.db2.gz RGXCPATWOFMZNL-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001378347318 898322565 /nfs/dbraw/zinc/32/25/65/898322565.db2.gz UOPNILUZHQEDTB-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001378347318 898322581 /nfs/dbraw/zinc/32/25/81/898322581.db2.gz UOPNILUZHQEDTB-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378360604 898325969 /nfs/dbraw/zinc/32/59/69/898325969.db2.gz YDBHVJNKEYSLJK-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001378522827 898344411 /nfs/dbraw/zinc/34/44/11/898344411.db2.gz MFQXVQDJTSMDHI-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001378548330 898351684 /nfs/dbraw/zinc/35/16/84/898351684.db2.gz DTVYZDWYUABLHE-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001378619384 898368824 /nfs/dbraw/zinc/36/88/24/898368824.db2.gz VICNQNRRKITCQI-GHMZBOCLSA-N 2 1 295.387 -0.324 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001378619386 898370445 /nfs/dbraw/zinc/37/04/45/898370445.db2.gz VICNQNRRKITCQI-QWRGUYRKSA-N 2 1 295.387 -0.324 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001378619387 898370959 /nfs/dbraw/zinc/37/09/59/898370959.db2.gz VICNQNRRKITCQI-WDEREUQCSA-N 2 1 295.387 -0.324 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CC1(C)C ZINC001378651970 898380360 /nfs/dbraw/zinc/38/03/60/898380360.db2.gz JCJLDSYTRBXQJF-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CC1(C)C ZINC001378651970 898380372 /nfs/dbraw/zinc/38/03/72/898380372.db2.gz JCJLDSYTRBXQJF-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CC1(C)C ZINC001378651959 898382033 /nfs/dbraw/zinc/38/20/33/898382033.db2.gz JCJLDSYTRBXQJF-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)CC1(C)C ZINC001378651959 898382042 /nfs/dbraw/zinc/38/20/42/898382042.db2.gz JCJLDSYTRBXQJF-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001378658532 898384432 /nfs/dbraw/zinc/38/44/32/898384432.db2.gz SLMLYCZZQHRFJB-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001378658532 898384445 /nfs/dbraw/zinc/38/44/45/898384445.db2.gz SLMLYCZZQHRFJB-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001378685062 898390784 /nfs/dbraw/zinc/39/07/84/898390784.db2.gz LOVNCHDQCUOFRT-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001378685062 898390795 /nfs/dbraw/zinc/39/07/95/898390795.db2.gz LOVNCHDQCUOFRT-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001378685065 898391240 /nfs/dbraw/zinc/39/12/40/898391240.db2.gz LOVNCHDQCUOFRT-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001378685065 898391249 /nfs/dbraw/zinc/39/12/49/898391249.db2.gz LOVNCHDQCUOFRT-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP 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 898402513 /nfs/dbraw/zinc/40/25/13/898402513.db2.gz RIZOBNVEASRJMX-LPWJVIDDSA-N 2 1 296.415 -0.506 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001378755003 898402525 /nfs/dbraw/zinc/40/25/25/898402525.db2.gz RIZOBNVEASRJMX-LPWJVIDDSA-N 2 1 296.415 -0.506 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001378755003 898402540 /nfs/dbraw/zinc/40/25/40/898402540.db2.gz RIZOBNVEASRJMX-LPWJVIDDSA-N 2 1 296.415 -0.506 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCO)C1 ZINC001378765132 898406745 /nfs/dbraw/zinc/40/67/45/898406745.db2.gz QDMOXYKUKIOWQK-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001378780253 898409165 /nfs/dbraw/zinc/40/91/65/898409165.db2.gz AMSQXCRUEWRKCG-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C[NH2+]Cc1cnon1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001378851279 898424253 /nfs/dbraw/zinc/42/42/53/898424253.db2.gz ITVFZJBDNRQHGZ-MNOVXSKESA-N 2 1 281.360 -0.042 20 0 CBADMP C[C@H](C[NH2+]Cc1cnon1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378851279 898424261 /nfs/dbraw/zinc/42/42/61/898424261.db2.gz ITVFZJBDNRQHGZ-MNOVXSKESA-N 2 1 281.360 -0.042 20 0 CBADMP CNC(=O)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001378935454 898434386 /nfs/dbraw/zinc/43/43/86/898434386.db2.gz DQRDMGUNXLGSJW-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001379059230 898454003 /nfs/dbraw/zinc/45/40/03/898454003.db2.gz QGNJRIVYRWRUKL-ZDUSSCGKSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001379094736 898463246 /nfs/dbraw/zinc/46/32/46/898463246.db2.gz DIXPARSDZZIYDH-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001379094736 898463250 /nfs/dbraw/zinc/46/32/50/898463250.db2.gz DIXPARSDZZIYDH-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001379094736 898463254 /nfs/dbraw/zinc/46/32/54/898463254.db2.gz DIXPARSDZZIYDH-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001379094736 898463256 /nfs/dbraw/zinc/46/32/56/898463256.db2.gz DIXPARSDZZIYDH-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379100313 898465899 /nfs/dbraw/zinc/46/58/99/898465899.db2.gz GGVFKSNGAVOXRQ-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001379100260 898466885 /nfs/dbraw/zinc/46/68/85/898466885.db2.gz GBMWYBVNEBYXLF-MNOVXSKESA-N 2 1 295.391 -0.759 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001379100260 898466889 /nfs/dbraw/zinc/46/68/89/898466889.db2.gz GBMWYBVNEBYXLF-MNOVXSKESA-N 2 1 295.391 -0.759 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001379134324 898472872 /nfs/dbraw/zinc/47/28/72/898472872.db2.gz JFCOEEBOPHQNMQ-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001379199114 898501811 /nfs/dbraw/zinc/50/18/11/898501811.db2.gz PODDTMMWVHIQPT-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001379232283 898515735 /nfs/dbraw/zinc/51/57/35/898515735.db2.gz SSGMWIWICHRNOO-QWHCGFSZSA-N 2 1 295.387 -0.919 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1cscn1 ZINC001379238313 898516416 /nfs/dbraw/zinc/51/64/16/898516416.db2.gz CZVZSPAINNPJTK-NSHDSACASA-N 2 1 286.401 -0.339 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001379320265 898548037 /nfs/dbraw/zinc/54/80/37/898548037.db2.gz GOGPFXWOHYMPPR-AAEUAGOBSA-N 2 1 298.387 -0.365 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001379384491 898591760 /nfs/dbraw/zinc/59/17/60/898591760.db2.gz VVPWLZHONWUDTI-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001379446492 898616510 /nfs/dbraw/zinc/61/65/10/898616510.db2.gz CDZYKDAYZOGIGR-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379460479 898622303 /nfs/dbraw/zinc/62/23/03/898622303.db2.gz OITVJQAQKJBQPK-MNOVXSKESA-N 2 1 280.376 -0.639 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1cncn1C ZINC001379527010 898658618 /nfs/dbraw/zinc/65/86/18/898658618.db2.gz SPSQUBGTZZKZGR-GFCCVEGCSA-N 2 1 297.403 -0.673 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001379549052 898663742 /nfs/dbraw/zinc/66/37/42/898663742.db2.gz AGCXQFORHQNIIU-RWMBFGLXSA-N 2 1 287.404 -0.570 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001379555159 898666357 /nfs/dbraw/zinc/66/63/57/898666357.db2.gz ZMWSNFBDYDOFKV-NSHDSACASA-N 2 1 286.420 -0.195 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001379599358 898679512 /nfs/dbraw/zinc/67/95/12/898679512.db2.gz LULGQAWGUCTGIP-JQWIXIFHSA-N 2 1 293.371 -0.483 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001379737351 898711044 /nfs/dbraw/zinc/71/10/44/898711044.db2.gz FVEVHYLAOSIYHM-NSHDSACASA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)C[NH+](C)CC(C)(C)C ZINC001379737351 898711028 /nfs/dbraw/zinc/71/10/28/898711028.db2.gz FVEVHYLAOSIYHM-NSHDSACASA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)C[NH+](C)CC(C)(C)C ZINC001379737351 898711032 /nfs/dbraw/zinc/71/10/32/898711032.db2.gz FVEVHYLAOSIYHM-NSHDSACASA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001379737351 898711056 /nfs/dbraw/zinc/71/10/56/898711056.db2.gz FVEVHYLAOSIYHM-NSHDSACASA-N 2 1 286.420 -0.114 20 0 CBADMP COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379760078 898724200 /nfs/dbraw/zinc/72/42/00/898724200.db2.gz CTPCERIRAKHSGI-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379760096 898724622 /nfs/dbraw/zinc/72/46/22/898724622.db2.gz CTPCERIRAKHSGI-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccon1)[NH+](C)C ZINC001379802084 898731468 /nfs/dbraw/zinc/73/14/68/898731468.db2.gz MWGCYMHHGXXSIK-CHWSQXEVSA-N 2 1 298.387 -0.076 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H](C)C(N)=O ZINC001379798787 898732403 /nfs/dbraw/zinc/73/24/03/898732403.db2.gz NQSQBFZREGMVOW-MNOVXSKESA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H](C)C(N)=O ZINC001379798787 898732412 /nfs/dbraw/zinc/73/24/12/898732412.db2.gz NQSQBFZREGMVOW-MNOVXSKESA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001379798787 898732425 /nfs/dbraw/zinc/73/24/25/898732425.db2.gz NQSQBFZREGMVOW-MNOVXSKESA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001379798787 898732434 /nfs/dbraw/zinc/73/24/34/898732434.db2.gz NQSQBFZREGMVOW-MNOVXSKESA-N 2 1 272.393 -0.363 20 0 CBADMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1C[C@H](O)COC)[NH+](C)C ZINC001379984069 898783359 /nfs/dbraw/zinc/78/33/59/898783359.db2.gz UQBVQNLQAMWNKU-FRRDWIJNSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1C[C@H](O)COC)[NH+](C)C ZINC001379984069 898783364 /nfs/dbraw/zinc/78/33/64/898783364.db2.gz UQBVQNLQAMWNKU-FRRDWIJNSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1CCn1cncn1 ZINC001380019207 898786220 /nfs/dbraw/zinc/78/62/20/898786220.db2.gz RJLPTHCXTRULDC-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1CCn1cncn1 ZINC001380019207 898786234 /nfs/dbraw/zinc/78/62/34/898786234.db2.gz RJLPTHCXTRULDC-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001380019207 898786251 /nfs/dbraw/zinc/78/62/51/898786251.db2.gz RJLPTHCXTRULDC-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001380019207 898786260 /nfs/dbraw/zinc/78/62/60/898786260.db2.gz RJLPTHCXTRULDC-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C[C@@H](O)COC)[NH+](C)C ZINC001380020345 898787127 /nfs/dbraw/zinc/78/71/27/898787127.db2.gz UQBVQNLQAMWNKU-XQQFMLRXSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C[C@@H](O)COC)[NH+](C)C ZINC001380020345 898787131 /nfs/dbraw/zinc/78/71/31/898787131.db2.gz UQBVQNLQAMWNKU-XQQFMLRXSA-N 2 1 287.404 -0.476 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)N2CCC2)CC1 ZINC001380067087 898799076 /nfs/dbraw/zinc/79/90/76/898799076.db2.gz LADUJBKPQMFWQD-LBPRGKRZSA-N 2 1 294.399 -0.449 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001380087504 898802787 /nfs/dbraw/zinc/80/27/87/898802787.db2.gz CYNZJEWZJFGPAU-NWDGAFQWSA-N 2 1 298.431 -0.195 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](C[C@@H](O)COC)C1 ZINC001380250784 898842588 /nfs/dbraw/zinc/84/25/88/898842588.db2.gz IFUJMMBJWRVYQW-CYBMUJFWSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C1C[NH+](C[C@@H](O)COC)C1 ZINC001380250784 898842609 /nfs/dbraw/zinc/84/26/09/898842609.db2.gz IFUJMMBJWRVYQW-CYBMUJFWSA-N 2 1 287.404 -0.522 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380352757 898859659 /nfs/dbraw/zinc/85/96/59/898859659.db2.gz GXDCTJHAGGFMGS-ZDUSSCGKSA-N 2 1 270.377 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380352757 898859667 /nfs/dbraw/zinc/85/96/67/898859667.db2.gz GXDCTJHAGGFMGS-ZDUSSCGKSA-N 2 1 270.377 -0.735 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001380507685 898880118 /nfs/dbraw/zinc/88/01/18/898880118.db2.gz NYUFYHILMPHCNQ-UHFFFAOYSA-N 2 1 296.371 -0.561 20 0 CBADMP O=C(NC[C@@]1(O)CC[N@H+](CCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001380531464 898889017 /nfs/dbraw/zinc/88/90/17/898889017.db2.gz GFZYNEHGPSLTOU-HIFRSBDPSA-N 2 1 299.390 -0.149 20 0 CBADMP O=C(NC[C@@]1(O)CC[N@@H+](CCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001380531464 898889023 /nfs/dbraw/zinc/88/90/23/898889023.db2.gz GFZYNEHGPSLTOU-HIFRSBDPSA-N 2 1 299.390 -0.149 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001380572411 898904151 /nfs/dbraw/zinc/90/41/51/898904151.db2.gz MIBOCWOVFWARQT-TZMCWYRMSA-N 2 1 285.388 -0.863 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001380572411 898904158 /nfs/dbraw/zinc/90/41/58/898904158.db2.gz MIBOCWOVFWARQT-TZMCWYRMSA-N 2 1 285.388 -0.863 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380572411 898904168 /nfs/dbraw/zinc/90/41/68/898904168.db2.gz MIBOCWOVFWARQT-TZMCWYRMSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001380702936 898937555 /nfs/dbraw/zinc/93/75/55/898937555.db2.gz HBFUHMNDHGOANV-TXEJJXNPSA-N 2 1 282.388 -0.796 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCN1CCC([NH2+]CCO)CC1 ZINC001380711585 898938487 /nfs/dbraw/zinc/93/84/87/898938487.db2.gz ITNKKOLSKOMMOG-CQSZACIVSA-N 2 1 298.431 -0.757 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001380909047 898969171 /nfs/dbraw/zinc/96/91/71/898969171.db2.gz BFZYBSITLQRZME-AAEUAGOBSA-N 2 1 296.371 -0.611 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001381324219 899030229 /nfs/dbraw/zinc/03/02/29/899030229.db2.gz VYVUXCDTYQXAAL-UHFFFAOYSA-N 2 1 279.344 -0.839 20 0 CBADMP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ncnn1C ZINC001381440635 899049950 /nfs/dbraw/zinc/04/99/50/899049950.db2.gz CNYIGTVWYRKBIO-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001381564682 899087347 /nfs/dbraw/zinc/08/73/47/899087347.db2.gz LRLJCCCNDDMQAD-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)NC1CC1 ZINC001381623578 899093843 /nfs/dbraw/zinc/09/38/43/899093843.db2.gz VLBAWBFBHSGGFB-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)NC1CC1 ZINC001381623578 899093854 /nfs/dbraw/zinc/09/38/54/899093854.db2.gz VLBAWBFBHSGGFB-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)NC1CC1 ZINC001381623578 899093870 /nfs/dbraw/zinc/09/38/70/899093870.db2.gz VLBAWBFBHSGGFB-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)NC1CC1 ZINC001381623578 899093886 /nfs/dbraw/zinc/09/38/86/899093886.db2.gz VLBAWBFBHSGGFB-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CC(N)=O)C2 ZINC001381941529 899131168 /nfs/dbraw/zinc/13/11/68/899131168.db2.gz UMWGIOVSLWKRTL-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CC(N)=O)C2 ZINC001381941529 899131175 /nfs/dbraw/zinc/13/11/75/899131175.db2.gz UMWGIOVSLWKRTL-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2 ZINC001381941529 899131181 /nfs/dbraw/zinc/13/11/81/899131181.db2.gz UMWGIOVSLWKRTL-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC001381941529 899131189 /nfs/dbraw/zinc/13/11/89/899131189.db2.gz UMWGIOVSLWKRTL-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NC)C[C@H]21 ZINC001381930170 899132007 /nfs/dbraw/zinc/13/20/07/899132007.db2.gz LFBUTSFMTNNQTJ-XYYAHUGASA-N 2 1 296.415 -0.632 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001381930170 899132019 /nfs/dbraw/zinc/13/20/19/899132019.db2.gz LFBUTSFMTNNQTJ-XYYAHUGASA-N 2 1 296.415 -0.632 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001381930170 899132025 /nfs/dbraw/zinc/13/20/25/899132025.db2.gz LFBUTSFMTNNQTJ-XYYAHUGASA-N 2 1 296.415 -0.632 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCO)C1 ZINC001381950658 899134186 /nfs/dbraw/zinc/13/41/86/899134186.db2.gz UUHPEAZVILUCBB-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001381960008 899137476 /nfs/dbraw/zinc/13/74/76/899137476.db2.gz XNQNQZCQHVNWTQ-JHJVBQTASA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[N@@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001381989290 899140101 /nfs/dbraw/zinc/14/01/01/899140101.db2.gz QUJILXKSZNUSRB-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001381976968 899140391 /nfs/dbraw/zinc/14/03/91/899140391.db2.gz VTOAQJQZMNBHGO-IJLUTSLNSA-N 2 1 282.388 -0.832 20 0 CBADMP CNC(=O)C[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001382051345 899145323 /nfs/dbraw/zinc/14/53/23/899145323.db2.gz TXSHAZSBADIAJP-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001382132636 899163174 /nfs/dbraw/zinc/16/31/74/899163174.db2.gz MIFYTIAYVYDKDL-NSHDSACASA-N 2 1 295.387 -0.106 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001382163045 899167566 /nfs/dbraw/zinc/16/75/66/899167566.db2.gz VSIUZESNFQTXFV-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001382266969 899220287 /nfs/dbraw/zinc/22/02/87/899220287.db2.gz GTBHQHFJEZTOBL-DGCLKSJQSA-N 2 1 298.387 -0.110 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001382266976 899220946 /nfs/dbraw/zinc/22/09/46/899220946.db2.gz GTBHQHFJEZTOBL-WCQYABFASA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001382270579 899224116 /nfs/dbraw/zinc/22/41/16/899224116.db2.gz CTKABNLNNXMBOE-QWHCGFSZSA-N 2 1 296.371 -0.705 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001382270564 899224749 /nfs/dbraw/zinc/22/47/49/899224749.db2.gz CTKABNLNNXMBOE-CHWSQXEVSA-N 2 1 296.371 -0.705 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(C)C)C1 ZINC001382283348 899232576 /nfs/dbraw/zinc/23/25/76/899232576.db2.gz MRCGYZBEHXFMQM-CHWSQXEVSA-N 2 1 287.404 -0.570 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(C)C)C1 ZINC001382283348 899232591 /nfs/dbraw/zinc/23/25/91/899232591.db2.gz MRCGYZBEHXFMQM-CHWSQXEVSA-N 2 1 287.404 -0.570 20 0 CBADMP O=C(NC[C@H](CO)[NH2+]CC1CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001382281784 899234409 /nfs/dbraw/zinc/23/44/09/899234409.db2.gz XNJHXJDSZJLADW-HIFRSBDPSA-N 2 1 281.400 -0.051 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001382369146 899259446 /nfs/dbraw/zinc/25/94/46/899259446.db2.gz NSJXJRAJBFTGPD-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001382428715 899288628 /nfs/dbraw/zinc/28/86/28/899288628.db2.gz OYHCUAMLYZPIOP-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@H](C)O ZINC001382462651 899309232 /nfs/dbraw/zinc/30/92/32/899309232.db2.gz QARVTUSXXMRMTE-QWHCGFSZSA-N 2 1 298.387 -0.677 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[N@H+](C)C[C@H](C)O ZINC001382462651 899309245 /nfs/dbraw/zinc/30/92/45/899309245.db2.gz QARVTUSXXMRMTE-QWHCGFSZSA-N 2 1 298.387 -0.677 20 0 CBADMP C[NH+](C)CCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001385069378 899544298 /nfs/dbraw/zinc/54/42/98/899544298.db2.gz MIOQBVCZDCZZAM-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CC[NH+](C)C ZINC001386194466 899634010 /nfs/dbraw/zinc/63/40/10/899634010.db2.gz GJRXBEKHCKYNBR-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CC[NH+](C)C ZINC001386194465 899634195 /nfs/dbraw/zinc/63/41/95/899634195.db2.gz GJRXBEKHCKYNBR-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C(=O)N(C)CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC001386831516 899719049 /nfs/dbraw/zinc/71/90/49/899719049.db2.gz UKNTWIHAKJJHAE-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001388414735 899887833 /nfs/dbraw/zinc/88/78/33/899887833.db2.gz YGRCKYRURMTXCU-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001388740525 899906492 /nfs/dbraw/zinc/90/64/92/899906492.db2.gz MATFBGWYRMOCCN-XUXIUFHCSA-N 2 1 299.415 -0.570 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1CC)[NH+](C)C ZINC001388772678 899907437 /nfs/dbraw/zinc/90/74/37/899907437.db2.gz AAJURLLWFTZCGT-TUAOUCFPSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1CC)[NH+](C)C ZINC001388772678 899907444 /nfs/dbraw/zinc/90/74/44/899907444.db2.gz AAJURLLWFTZCGT-TUAOUCFPSA-N 2 1 284.404 -0.219 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001388787942 899910534 /nfs/dbraw/zinc/91/05/34/899910534.db2.gz BICVYPFPSFAAAW-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001388787942 899910549 /nfs/dbraw/zinc/91/05/49/899910549.db2.gz BICVYPFPSFAAAW-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP Cn1cnnc1C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001389641287 900052726 /nfs/dbraw/zinc/05/27/26/900052726.db2.gz LJNUZZJOCPLURU-GFCCVEGCSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001389806898 900077513 /nfs/dbraw/zinc/07/75/13/900077513.db2.gz ZOECJNRNVMDXOL-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001389839835 900084516 /nfs/dbraw/zinc/08/45/16/900084516.db2.gz VRTCODXNRZTBTM-ZDEQEGDKSA-N 2 1 285.388 -0.411 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001389839835 900084523 /nfs/dbraw/zinc/08/45/23/900084523.db2.gz VRTCODXNRZTBTM-ZDEQEGDKSA-N 2 1 285.388 -0.411 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@@H+](CC(N)=O)CC[C@H]21 ZINC001389949769 900098866 /nfs/dbraw/zinc/09/88/66/900098866.db2.gz JALKOAZRMQKAPP-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001390010703 900104476 /nfs/dbraw/zinc/10/44/76/900104476.db2.gz GWHMUWYFLILHIH-FIQHERPVSA-N 2 1 282.388 -0.691 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001390074979 900111957 /nfs/dbraw/zinc/11/19/57/900111957.db2.gz VKBPZQBQNIBKHT-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001390074979 900111973 /nfs/dbraw/zinc/11/19/73/900111973.db2.gz VKBPZQBQNIBKHT-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001390074979 900111982 /nfs/dbraw/zinc/11/19/82/900111982.db2.gz VKBPZQBQNIBKHT-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001390074979 900111996 /nfs/dbraw/zinc/11/19/96/900111996.db2.gz VKBPZQBQNIBKHT-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21)[NH+](C)C ZINC001390223403 900125481 /nfs/dbraw/zinc/12/54/81/900125481.db2.gz BJEBPDMIYMULEM-HHHUOAJASA-N 2 1 282.388 -0.753 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21)[NH+](C)C ZINC001390223403 900125492 /nfs/dbraw/zinc/12/54/92/900125492.db2.gz BJEBPDMIYMULEM-HHHUOAJASA-N 2 1 282.388 -0.753 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH2+]CC(N)=O ZINC001390391139 900150550 /nfs/dbraw/zinc/15/05/50/900150550.db2.gz ABLLKDAUYOPJHP-AAEUAGOBSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH2+]CC(N)=O ZINC001390391145 900151167 /nfs/dbraw/zinc/15/11/67/900151167.db2.gz ABLLKDAUYOPJHP-WCQYABFASA-N 2 1 296.415 -0.027 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001390411556 900155886 /nfs/dbraw/zinc/15/58/86/900155886.db2.gz XLRFFAFMLJERFG-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)[NH2+]CCO ZINC001390473183 900169291 /nfs/dbraw/zinc/16/92/91/900169291.db2.gz CSQJCXLQTFWZLY-LLVKDONJSA-N 2 1 296.371 -0.029 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001390487733 900173182 /nfs/dbraw/zinc/17/31/82/900173182.db2.gz XYQVZBFCKFMWHY-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001390487733 900173187 /nfs/dbraw/zinc/17/31/87/900173187.db2.gz XYQVZBFCKFMWHY-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]C[C@@H]1CCOC1 ZINC001390493166 900177290 /nfs/dbraw/zinc/17/72/90/900177290.db2.gz LUOXQHOEHXRQTB-KBPBESRZSA-N 2 1 299.415 -0.161 20 0 CBADMP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001390516092 900179609 /nfs/dbraw/zinc/17/96/09/900179609.db2.gz CVCPJMFYCXDISD-LLVKDONJSA-N 2 1 295.387 -0.188 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001390517547 900179896 /nfs/dbraw/zinc/17/98/96/900179896.db2.gz YXLBWFRQAZVAOK-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nccn1C ZINC001390522317 900180325 /nfs/dbraw/zinc/18/03/25/900180325.db2.gz QRKWMABWQPPVMZ-RYUDHWBXSA-N 2 1 279.388 -0.034 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nccn1C ZINC001390522317 900180336 /nfs/dbraw/zinc/18/03/36/900180336.db2.gz QRKWMABWQPPVMZ-RYUDHWBXSA-N 2 1 279.388 -0.034 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC1CC1 ZINC001390522578 900180367 /nfs/dbraw/zinc/18/03/67/900180367.db2.gz RWHGUZNHGRCLPF-AAEUAGOBSA-N 2 1 296.415 -0.441 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001390516850 900180796 /nfs/dbraw/zinc/18/07/96/900180796.db2.gz DPYDUYZBPPZOLO-JTQLQIEISA-N 2 1 293.371 -0.436 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001390535297 900183644 /nfs/dbraw/zinc/18/36/44/900183644.db2.gz DGKKPPNMPQYYPX-NEPJUHHUSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001390635630 900200797 /nfs/dbraw/zinc/20/07/97/900200797.db2.gz IQCXUSWQLUYYAC-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001390635630 900200811 /nfs/dbraw/zinc/20/08/11/900200811.db2.gz IQCXUSWQLUYYAC-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001390635630 900200824 /nfs/dbraw/zinc/20/08/24/900200824.db2.gz IQCXUSWQLUYYAC-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001390635630 900200838 /nfs/dbraw/zinc/20/08/38/900200838.db2.gz IQCXUSWQLUYYAC-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001390814732 900254452 /nfs/dbraw/zinc/25/44/52/900254452.db2.gz GCRVVZDKKATKRT-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001390814732 900254463 /nfs/dbraw/zinc/25/44/63/900254463.db2.gz GCRVVZDKKATKRT-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001390814732 900254474 /nfs/dbraw/zinc/25/44/74/900254474.db2.gz GCRVVZDKKATKRT-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001390814732 900254485 /nfs/dbraw/zinc/25/44/85/900254485.db2.gz GCRVVZDKKATKRT-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CN1CC[C@@H]([N@H+](C)CCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001390814251 900256640 /nfs/dbraw/zinc/25/66/40/900256640.db2.gz XIIRTEOTRPPQTL-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001390814251 900256651 /nfs/dbraw/zinc/25/66/51/900256651.db2.gz XIIRTEOTRPPQTL-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@@H+](C)C[C@H]1CCNC(=O)CC1 ZINC001390813379 900258100 /nfs/dbraw/zinc/25/81/00/900258100.db2.gz SRYKVKAJRINJJA-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP COC[C@H](O)C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001390857153 900265284 /nfs/dbraw/zinc/26/52/84/900265284.db2.gz FNBAVXDQKJWPIJ-GFCCVEGCSA-N 2 1 284.360 -0.753 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001390857153 900265290 /nfs/dbraw/zinc/26/52/90/900265290.db2.gz FNBAVXDQKJWPIJ-GFCCVEGCSA-N 2 1 284.360 -0.753 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCCN(C)C1=O ZINC001390867966 900270688 /nfs/dbraw/zinc/27/06/88/900270688.db2.gz YIOOLDPSAFECGR-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCCN(C)C1=O ZINC001390867966 900270702 /nfs/dbraw/zinc/27/07/02/900270702.db2.gz YIOOLDPSAFECGR-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)[C@@H]1CCCN(C)C1=O ZINC001390867966 900270717 /nfs/dbraw/zinc/27/07/17/900270717.db2.gz YIOOLDPSAFECGR-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC001390867966 900270731 /nfs/dbraw/zinc/27/07/31/900270731.db2.gz YIOOLDPSAFECGR-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H](C)COC ZINC001390896771 900275785 /nfs/dbraw/zinc/27/57/85/900275785.db2.gz BJPQKDUTSMEQEW-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H](C)COC ZINC001390896771 900275789 /nfs/dbraw/zinc/27/57/89/900275789.db2.gz BJPQKDUTSMEQEW-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@H](C)COC ZINC001390896771 900275805 /nfs/dbraw/zinc/27/58/05/900275805.db2.gz BJPQKDUTSMEQEW-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H](C)COC ZINC001390896771 900275820 /nfs/dbraw/zinc/27/58/20/900275820.db2.gz BJPQKDUTSMEQEW-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H](C)COC ZINC001390896788 900276206 /nfs/dbraw/zinc/27/62/06/900276206.db2.gz BJPQKDUTSMEQEW-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H](C)COC ZINC001390896788 900276222 /nfs/dbraw/zinc/27/62/22/900276222.db2.gz BJPQKDUTSMEQEW-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H](C)COC ZINC001390896788 900276235 /nfs/dbraw/zinc/27/62/35/900276235.db2.gz BJPQKDUTSMEQEW-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H](C)COC ZINC001390896788 900276245 /nfs/dbraw/zinc/27/62/45/900276245.db2.gz BJPQKDUTSMEQEW-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H](C)COC ZINC001390896759 900276858 /nfs/dbraw/zinc/27/68/58/900276858.db2.gz BJPQKDUTSMEQEW-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H](C)COC ZINC001390896759 900276871 /nfs/dbraw/zinc/27/68/71/900276871.db2.gz BJPQKDUTSMEQEW-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@H](C)COC ZINC001390896759 900276882 /nfs/dbraw/zinc/27/68/82/900276882.db2.gz BJPQKDUTSMEQEW-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@H](C)COC ZINC001390896759 900276890 /nfs/dbraw/zinc/27/68/90/900276890.db2.gz BJPQKDUTSMEQEW-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)C(N)=O ZINC001390903112 900283911 /nfs/dbraw/zinc/28/39/11/900283911.db2.gz KZQGDRZQDADYKL-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)C(N)=O ZINC001390903112 900283918 /nfs/dbraw/zinc/28/39/18/900283918.db2.gz KZQGDRZQDADYKL-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)C(N)=O ZINC001390903112 900283927 /nfs/dbraw/zinc/28/39/27/900283927.db2.gz KZQGDRZQDADYKL-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)C(N)=O ZINC001390903112 900283939 /nfs/dbraw/zinc/28/39/39/900283939.db2.gz KZQGDRZQDADYKL-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CC(N)=O ZINC001390920040 900285075 /nfs/dbraw/zinc/28/50/75/900285075.db2.gz OIRHXTQMUVFSOK-UHFFFAOYSA-N 2 1 296.415 -0.214 20 0 CBADMP CC[N@@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CC(N)=O ZINC001390920040 900285080 /nfs/dbraw/zinc/28/50/80/900285080.db2.gz OIRHXTQMUVFSOK-UHFFFAOYSA-N 2 1 296.415 -0.214 20 0 CBADMP CC[N@H+](CCNC(=O)CC[NH+]1CCOCC1)C[C@@H](C)O ZINC001390979680 900285897 /nfs/dbraw/zinc/28/58/97/900285897.db2.gz YDPJSFMSTWMYKA-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCOCC1)C[C@@H](C)O ZINC001390979680 900285911 /nfs/dbraw/zinc/28/59/11/900285911.db2.gz YDPJSFMSTWMYKA-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001391071072 900305527 /nfs/dbraw/zinc/30/55/27/900305527.db2.gz KXFKHVYXJOSJCD-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001391071072 900305541 /nfs/dbraw/zinc/30/55/41/900305541.db2.gz KXFKHVYXJOSJCD-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391091090 900309176 /nfs/dbraw/zinc/30/91/76/900309176.db2.gz BSVOZQJBYYPTBM-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001391100709 900311084 /nfs/dbraw/zinc/31/10/84/900311084.db2.gz VVCVQHUTAFMJNO-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391108525 900315637 /nfs/dbraw/zinc/31/56/37/900315637.db2.gz HCUZZQICIRDAEG-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001391108525 900315646 /nfs/dbraw/zinc/31/56/46/900315646.db2.gz HCUZZQICIRDAEG-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391108525 900315654 /nfs/dbraw/zinc/31/56/54/900315654.db2.gz HCUZZQICIRDAEG-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC(N)=O)C2CC2)CC[N@@H+]1C ZINC001391159862 900327994 /nfs/dbraw/zinc/32/79/94/900327994.db2.gz FQMOJKOURILWBU-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC(N)=O)C2CC2)CC[N@H+]1C ZINC001391159862 900328007 /nfs/dbraw/zinc/32/80/07/900328007.db2.gz FQMOJKOURILWBU-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](CC(N)=O)C2CC2)CC[NH+]1C ZINC001391159862 900328019 /nfs/dbraw/zinc/32/80/19/900328019.db2.gz FQMOJKOURILWBU-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](CC(N)=O)C2CC2)CC[NH+]1C ZINC001391159862 900328026 /nfs/dbraw/zinc/32/80/26/900328026.db2.gz FQMOJKOURILWBU-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CCO)C2)C1 ZINC001391360819 900361573 /nfs/dbraw/zinc/36/15/73/900361573.db2.gz UUDHGIYMXOSDKT-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CCO)C2)C1 ZINC001391360819 900361581 /nfs/dbraw/zinc/36/15/81/900361581.db2.gz UUDHGIYMXOSDKT-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)CCO)C2)C1 ZINC001391360819 900361595 /nfs/dbraw/zinc/36/15/95/900361595.db2.gz UUDHGIYMXOSDKT-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H](C[N@@H+](C)CCO)C2)C1 ZINC001391360819 900361609 /nfs/dbraw/zinc/36/16/09/900361609.db2.gz UUDHGIYMXOSDKT-UONOGXRCSA-N 2 1 299.415 -0.520 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001391353057 900362021 /nfs/dbraw/zinc/36/20/21/900362021.db2.gz HQUNANVRJLHXQE-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH+](C)CCO)C2)C1 ZINC001391360818 900363102 /nfs/dbraw/zinc/36/31/02/900363102.db2.gz UUDHGIYMXOSDKT-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH+](C)CCO)C2)C1 ZINC001391360818 900363112 /nfs/dbraw/zinc/36/31/12/900363112.db2.gz UUDHGIYMXOSDKT-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H](C[N@H+](C)CCO)C2)C1 ZINC001391360818 900363123 /nfs/dbraw/zinc/36/31/23/900363123.db2.gz UUDHGIYMXOSDKT-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H](C[N@@H+](C)CCO)C2)C1 ZINC001391360818 900363135 /nfs/dbraw/zinc/36/31/35/900363135.db2.gz UUDHGIYMXOSDKT-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001391371456 900364809 /nfs/dbraw/zinc/36/48/09/900364809.db2.gz QHJAMQDUKCKDSJ-MELADBBJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001391594856 900419287 /nfs/dbraw/zinc/41/92/87/900419287.db2.gz AEMQUZWYCUVXNN-OLZOCXBDSA-N 2 1 296.371 -0.611 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001391594856 900419294 /nfs/dbraw/zinc/41/92/94/900419294.db2.gz AEMQUZWYCUVXNN-OLZOCXBDSA-N 2 1 296.371 -0.611 20 0 CBADMP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391632521 900420628 /nfs/dbraw/zinc/42/06/28/900420628.db2.gz PWEXAPDEOORNON-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391632521 900420638 /nfs/dbraw/zinc/42/06/38/900420638.db2.gz PWEXAPDEOORNON-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001391632521 900420648 /nfs/dbraw/zinc/42/06/48/900420648.db2.gz PWEXAPDEOORNON-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391632521 900420659 /nfs/dbraw/zinc/42/06/59/900420659.db2.gz PWEXAPDEOORNON-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001391618954 900421285 /nfs/dbraw/zinc/42/12/85/900421285.db2.gz HYVOIGIHWZTHAH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001391618954 900421288 /nfs/dbraw/zinc/42/12/88/900421288.db2.gz HYVOIGIHWZTHAH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001391622739 900422100 /nfs/dbraw/zinc/42/21/00/900422100.db2.gz NUDLYJCWJRXJRV-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001391645560 900426382 /nfs/dbraw/zinc/42/63/82/900426382.db2.gz CREHKSZFRQMUPS-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391645560 900426387 /nfs/dbraw/zinc/42/63/87/900426387.db2.gz CREHKSZFRQMUPS-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391645560 900426391 /nfs/dbraw/zinc/42/63/91/900426391.db2.gz CREHKSZFRQMUPS-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391645560 900426397 /nfs/dbraw/zinc/42/63/97/900426397.db2.gz CREHKSZFRQMUPS-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cn(C)nn1 ZINC001391722849 900439155 /nfs/dbraw/zinc/43/91/55/900439155.db2.gz NLLIZSSLAJJXJE-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001391808140 900450682 /nfs/dbraw/zinc/45/06/82/900450682.db2.gz UWVQJUDZWSWVFZ-AWEZNQCLSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001391808144 900451041 /nfs/dbraw/zinc/45/10/41/900451041.db2.gz UWVQJUDZWSWVFZ-CQSZACIVSA-N 2 1 284.404 -0.314 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001391862481 900453128 /nfs/dbraw/zinc/45/31/28/900453128.db2.gz ZTWCPFANHGCVOQ-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001391862491 900453456 /nfs/dbraw/zinc/45/34/56/900453456.db2.gz NPXWHGDXIYPWSF-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(N)=O ZINC001391892735 900461845 /nfs/dbraw/zinc/46/18/45/900461845.db2.gz GZXYKQIIWSNAOR-GMTAPVOTSA-N 2 1 270.377 -0.846 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCC1)C(N)=O ZINC001392014074 900491491 /nfs/dbraw/zinc/49/14/91/900491491.db2.gz JEPDSQOIEIQEOD-VXGBXAGGSA-N 2 1 296.415 -0.027 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001392116223 900515495 /nfs/dbraw/zinc/51/54/95/900515495.db2.gz JJEKATSUPVNPGV-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392133226 900520075 /nfs/dbraw/zinc/52/00/75/900520075.db2.gz MAYAOCYNNVIQFK-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392132297 900520259 /nfs/dbraw/zinc/52/02/59/900520259.db2.gz LFJYZAFCFZNOOE-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP COCC[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001392275051 900550223 /nfs/dbraw/zinc/55/02/23/900550223.db2.gz WZZLISOPEUEHPV-GFCCVEGCSA-N 2 1 273.377 -0.646 20 0 CBADMP COCC[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001392275051 900550232 /nfs/dbraw/zinc/55/02/32/900550232.db2.gz WZZLISOPEUEHPV-GFCCVEGCSA-N 2 1 273.377 -0.646 20 0 CBADMP COCC[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001392275051 900550244 /nfs/dbraw/zinc/55/02/44/900550244.db2.gz WZZLISOPEUEHPV-GFCCVEGCSA-N 2 1 273.377 -0.646 20 0 CBADMP COCC[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001392275051 900550257 /nfs/dbraw/zinc/55/02/57/900550257.db2.gz WZZLISOPEUEHPV-GFCCVEGCSA-N 2 1 273.377 -0.646 20 0 CBADMP CNC(=O)[C@H](C)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392281010 900552407 /nfs/dbraw/zinc/55/24/07/900552407.db2.gz TYJLPHQXHFZVQM-FRRDWIJNSA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001392281010 900552415 /nfs/dbraw/zinc/55/24/15/900552415.db2.gz TYJLPHQXHFZVQM-FRRDWIJNSA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001392281010 900552424 /nfs/dbraw/zinc/55/24/24/900552424.db2.gz TYJLPHQXHFZVQM-FRRDWIJNSA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392281010 900552433 /nfs/dbraw/zinc/55/24/33/900552433.db2.gz TYJLPHQXHFZVQM-FRRDWIJNSA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392281010 900552440 /nfs/dbraw/zinc/55/24/40/900552440.db2.gz TYJLPHQXHFZVQM-FRRDWIJNSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001392271914 900552960 /nfs/dbraw/zinc/55/29/60/900552960.db2.gz MHWOIWBBIZAOBN-NWDGAFQWSA-N 2 1 273.377 -0.912 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001392271914 900552970 /nfs/dbraw/zinc/55/29/70/900552970.db2.gz MHWOIWBBIZAOBN-NWDGAFQWSA-N 2 1 273.377 -0.912 20 0 CBADMP C[C@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001392271914 900552980 /nfs/dbraw/zinc/55/29/80/900552980.db2.gz MHWOIWBBIZAOBN-NWDGAFQWSA-N 2 1 273.377 -0.912 20 0 CBADMP C[C@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001392271914 900552988 /nfs/dbraw/zinc/55/29/88/900552988.db2.gz MHWOIWBBIZAOBN-NWDGAFQWSA-N 2 1 273.377 -0.912 20 0 CBADMP CNC(=O)CN(C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001392326534 900563770 /nfs/dbraw/zinc/56/37/70/900563770.db2.gz KRHBFIATEHLHLP-UHFFFAOYSA-N 2 1 281.360 -0.672 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001392354403 900578498 /nfs/dbraw/zinc/57/84/98/900578498.db2.gz OTDYDWZTDXQCEH-NWDGAFQWSA-N 2 1 293.371 -0.449 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]C[C@@H](C)O ZINC001392410550 900608013 /nfs/dbraw/zinc/60/80/13/900608013.db2.gz HQHNTJMWEHPFDL-NEPJUHHUSA-N 2 1 298.387 -0.546 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]C[C@@H](C)O ZINC001392410562 900609820 /nfs/dbraw/zinc/60/98/20/900609820.db2.gz HQHNTJMWEHPFDL-VXGBXAGGSA-N 2 1 298.387 -0.546 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001392437392 900617088 /nfs/dbraw/zinc/61/70/88/900617088.db2.gz BWMOCRUVIUQHQX-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)CC[NH+](C)C ZINC001392503998 900637364 /nfs/dbraw/zinc/63/73/64/900637364.db2.gz FZGOOAQYMSIMIB-ZJUUUORDSA-N 2 1 283.380 -0.683 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001392525729 900648882 /nfs/dbraw/zinc/64/88/82/900648882.db2.gz PALNEBMYAKKUCI-YPMHNXCESA-N 2 1 296.419 -0.004 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001392595835 900670111 /nfs/dbraw/zinc/67/01/11/900670111.db2.gz YGWNNKVSVWTCDZ-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392595835 900670119 /nfs/dbraw/zinc/67/01/19/900670119.db2.gz YGWNNKVSVWTCDZ-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392589627 900670991 /nfs/dbraw/zinc/67/09/91/900670991.db2.gz AGCXQFORHQNIIU-AGIUHOORSA-N 2 1 287.404 -0.570 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001392591392 900671421 /nfs/dbraw/zinc/67/14/21/900671421.db2.gz JCJANBUNEFXUGE-MNOVXSKESA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392591392 900671433 /nfs/dbraw/zinc/67/14/33/900671433.db2.gz JCJANBUNEFXUGE-MNOVXSKESA-N 2 1 295.391 -0.854 20 0 CBADMP COC[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001392727635 900714679 /nfs/dbraw/zinc/71/46/79/900714679.db2.gz OPKDZBIYUASDAZ-WCQYABFASA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001392727635 900714683 /nfs/dbraw/zinc/71/46/83/900714683.db2.gz OPKDZBIYUASDAZ-WCQYABFASA-N 2 1 298.387 -0.365 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392806522 900727524 /nfs/dbraw/zinc/72/75/24/900727524.db2.gz XUFNZLIHKSTZEK-WCQYABFASA-N 2 1 296.415 -0.441 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001392822135 900734150 /nfs/dbraw/zinc/73/41/50/900734150.db2.gz DCWXBNMRFVDRNG-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392822135 900734156 /nfs/dbraw/zinc/73/41/56/900734156.db2.gz DCWXBNMRFVDRNG-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392822135 900734161 /nfs/dbraw/zinc/73/41/61/900734161.db2.gz DCWXBNMRFVDRNG-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@H](C(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001392822465 900734697 /nfs/dbraw/zinc/73/46/97/900734697.db2.gz GZELUMCKVNDZHJ-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001392994046 900771533 /nfs/dbraw/zinc/77/15/33/900771533.db2.gz UDPZPHOCOOPIQP-OAHLLOKOSA-N 2 1 296.415 -0.262 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001392994046 900771542 /nfs/dbraw/zinc/77/15/42/900771542.db2.gz UDPZPHOCOOPIQP-OAHLLOKOSA-N 2 1 296.415 -0.262 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001392994046 900771545 /nfs/dbraw/zinc/77/15/45/900771545.db2.gz UDPZPHOCOOPIQP-OAHLLOKOSA-N 2 1 296.415 -0.262 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001392994044 900771789 /nfs/dbraw/zinc/77/17/89/900771789.db2.gz UDPZPHOCOOPIQP-HNNXBMFYSA-N 2 1 296.415 -0.262 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001392994044 900771798 /nfs/dbraw/zinc/77/17/98/900771798.db2.gz UDPZPHOCOOPIQP-HNNXBMFYSA-N 2 1 296.415 -0.262 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001392994044 900771808 /nfs/dbraw/zinc/77/18/08/900771808.db2.gz UDPZPHOCOOPIQP-HNNXBMFYSA-N 2 1 296.415 -0.262 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001393058407 900786617 /nfs/dbraw/zinc/78/66/17/900786617.db2.gz YMGWTAOSUHNYBL-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001393070538 900791288 /nfs/dbraw/zinc/79/12/88/900791288.db2.gz LYQLUWQGJVLJAF-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001393070538 900791294 /nfs/dbraw/zinc/79/12/94/900791294.db2.gz LYQLUWQGJVLJAF-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001393105089 900794666 /nfs/dbraw/zinc/79/46/66/900794666.db2.gz FUWWCVZEOVHIKE-OCCSQVGLSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001393143614 900800763 /nfs/dbraw/zinc/80/07/63/900800763.db2.gz LSPFMTYWGRCZHM-IUODEOHRSA-N 2 1 296.415 -0.345 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001393250433 900813934 /nfs/dbraw/zinc/81/39/34/900813934.db2.gz PLXDXQZPHAORPI-UMVBOHGHSA-N 2 1 299.415 -0.474 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001393250433 900813942 /nfs/dbraw/zinc/81/39/42/900813942.db2.gz PLXDXQZPHAORPI-UMVBOHGHSA-N 2 1 299.415 -0.474 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001393250433 900813946 /nfs/dbraw/zinc/81/39/46/900813946.db2.gz PLXDXQZPHAORPI-UMVBOHGHSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001393569820 900877744 /nfs/dbraw/zinc/87/77/44/900877744.db2.gz NTNPCTVARGYDDU-GFCCVEGCSA-N 2 1 296.415 -0.025 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001393766407 900902274 /nfs/dbraw/zinc/90/22/74/900902274.db2.gz LVORTGSUSOJLLY-UHFFFAOYSA-N 2 1 298.431 -0.851 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001393766407 900902280 /nfs/dbraw/zinc/90/22/80/900902280.db2.gz LVORTGSUSOJLLY-UHFFFAOYSA-N 2 1 298.431 -0.851 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001393807820 900910111 /nfs/dbraw/zinc/91/01/11/900910111.db2.gz HRMVWRCGPVVHMM-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP C[C@@H](CCNC(=O)Cn1ccnc1)NCc1cnn(C)n1 ZINC001393832881 900913538 /nfs/dbraw/zinc/91/35/38/900913538.db2.gz GJQPXKNIRGACJN-NSHDSACASA-N 2 1 291.359 -0.304 20 0 CBADMP C[C@@H](CCNC(=O)Cn1ccnc1)NCc1cnon1 ZINC001393833628 900913999 /nfs/dbraw/zinc/91/39/99/900913999.db2.gz SAZAFCMVTFIIQQ-JTQLQIEISA-N 2 1 278.316 -0.049 20 0 CBADMP CNC(=O)C[NH2+]CC1CC(NC(=O)Cc2cnc[nH]2)C1 ZINC001393908317 900928685 /nfs/dbraw/zinc/92/86/85/900928685.db2.gz KHCPNYZQYVVSOJ-UHFFFAOYSA-N 2 1 279.344 -0.817 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001393958110 900939154 /nfs/dbraw/zinc/93/91/54/900939154.db2.gz RUZCGBBWKYWYRY-VXGBXAGGSA-N 2 1 295.387 -0.237 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001394004974 900948319 /nfs/dbraw/zinc/94/83/19/900948319.db2.gz URYHNPJPNTXNTF-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@@H](C)C(N)=O ZINC001394139439 900986499 /nfs/dbraw/zinc/98/64/99/900986499.db2.gz WVHJYJZPESSBAK-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001394139439 900986507 /nfs/dbraw/zinc/98/65/07/900986507.db2.gz WVHJYJZPESSBAK-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001394377912 901023331 /nfs/dbraw/zinc/02/33/31/901023331.db2.gz YXTJZHCRBXZTIT-HAQNSBGRSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(N)=O ZINC001394496392 901038242 /nfs/dbraw/zinc/03/82/42/901038242.db2.gz PUOHKWQXXNKYJS-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001394536652 901047429 /nfs/dbraw/zinc/04/74/29/901047429.db2.gz JQEWBMAXZBJOJP-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001394536657 901048076 /nfs/dbraw/zinc/04/80/76/901048076.db2.gz JQEWBMAXZBJOJP-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CO[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001394620270 901093575 /nfs/dbraw/zinc/09/35/75/901093575.db2.gz WZPRQERTEFGPNY-NWDGAFQWSA-N 2 1 284.360 -0.707 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001394654650 901110100 /nfs/dbraw/zinc/11/01/00/901110100.db2.gz SQTJRYRYMNAKTI-STQMWFEESA-N 2 1 298.387 -0.110 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@H]1C ZINC001394681955 901120042 /nfs/dbraw/zinc/12/00/42/901120042.db2.gz UYAWHBDJSZNGAG-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001394731834 901133523 /nfs/dbraw/zinc/13/35/23/901133523.db2.gz BSBQPBJKOCTFOT-NEPJUHHUSA-N 2 1 273.377 -0.866 20 0 CBADMP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001394731834 901133535 /nfs/dbraw/zinc/13/35/35/901133535.db2.gz BSBQPBJKOCTFOT-NEPJUHHUSA-N 2 1 273.377 -0.866 20 0 CBADMP CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)C[NH+]1CCCC1 ZINC001394752347 901140315 /nfs/dbraw/zinc/14/03/15/901140315.db2.gz CHQRBYPYRVANSI-CYBMUJFWSA-N 2 1 296.371 -0.321 20 0 CBADMP CC[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)[NH+](C)C ZINC001394780011 901155561 /nfs/dbraw/zinc/15/55/61/901155561.db2.gz CPSBWTPTLGNJIW-NWDGAFQWSA-N 2 1 275.393 -0.930 20 0 CBADMP CC[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)[NH+](C)C ZINC001394780007 901155815 /nfs/dbraw/zinc/15/58/15/901155815.db2.gz CPSBWTPTLGNJIW-NEPJUHHUSA-N 2 1 275.393 -0.930 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001394808650 901158256 /nfs/dbraw/zinc/15/82/56/901158256.db2.gz CNEPUOWMZFEZSV-MNOVXSKESA-N 2 1 284.404 -0.314 20 0 CBADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001394852578 901164945 /nfs/dbraw/zinc/16/49/45/901164945.db2.gz WEVOXPGLHDHXQY-HTAVTVPLSA-N 2 1 282.388 -0.594 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001396938329 901349507 /nfs/dbraw/zinc/34/95/07/901349507.db2.gz KKBXOLNWHMFWPW-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001397097462 901362413 /nfs/dbraw/zinc/36/24/13/901362413.db2.gz MATFBGWYRMOCCN-YIYPIFLZSA-N 2 1 299.415 -0.570 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC(N)=O ZINC001397260663 901384956 /nfs/dbraw/zinc/38/49/56/901384956.db2.gz FGLSTAIDAUNBOF-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1CC(N)=O ZINC001397260663 901384968 /nfs/dbraw/zinc/38/49/68/901384968.db2.gz FGLSTAIDAUNBOF-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001397736470 901447186 /nfs/dbraw/zinc/44/71/86/901447186.db2.gz ZHMPCTRVWZLCIR-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001397791647 901454242 /nfs/dbraw/zinc/45/42/42/901454242.db2.gz FOLZHPMOEBMWNZ-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001397791647 901454249 /nfs/dbraw/zinc/45/42/49/901454249.db2.gz FOLZHPMOEBMWNZ-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001397791647 901454253 /nfs/dbraw/zinc/45/42/53/901454253.db2.gz FOLZHPMOEBMWNZ-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001397791647 901454261 /nfs/dbraw/zinc/45/42/61/901454261.db2.gz FOLZHPMOEBMWNZ-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001398228918 901507285 /nfs/dbraw/zinc/50/72/85/901507285.db2.gz FYLFQTKTWYAAAU-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001398228918 901507294 /nfs/dbraw/zinc/50/72/94/901507294.db2.gz FYLFQTKTWYAAAU-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001398389248 901534416 /nfs/dbraw/zinc/53/44/16/901534416.db2.gz AIFFKRGSMOLIJB-CHWSQXEVSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001398450029 901541817 /nfs/dbraw/zinc/54/18/17/901541817.db2.gz KRJMXJYAUDKUGS-CHWSQXEVSA-N 2 1 296.415 -0.170 20 0 CBADMP COC[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001398484979 901544217 /nfs/dbraw/zinc/54/42/17/901544217.db2.gz YZMJMBADTRMEDY-MJBXVCDLSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001398536298 901549622 /nfs/dbraw/zinc/54/96/22/901549622.db2.gz WAAWEDRMWJNNLF-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001398534864 901550935 /nfs/dbraw/zinc/55/09/35/901550935.db2.gz UKYCCNRXPLPVGZ-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001398551544 901558513 /nfs/dbraw/zinc/55/85/13/901558513.db2.gz DQTXIFMSVUHXCP-XDQVBPFNSA-N 2 1 299.415 -0.428 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001398605542 901572771 /nfs/dbraw/zinc/57/27/71/901572771.db2.gz PKTBXNICPGEMSM-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001398665384 901584432 /nfs/dbraw/zinc/58/44/32/901584432.db2.gz LCORCVYAQLILSO-GRYCIOLGSA-N 2 1 282.388 -0.548 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001398667110 901587085 /nfs/dbraw/zinc/58/70/85/901587085.db2.gz CQUWPGVKDIZOHG-SDDRHHMPSA-N 2 1 284.404 -0.301 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001398697984 901590286 /nfs/dbraw/zinc/59/02/86/901590286.db2.gz UXLBEOPONAVIDX-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP CCn1ncc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001398880730 901620398 /nfs/dbraw/zinc/62/03/98/901620398.db2.gz MEZQEBLWROLNDE-DGCLKSJQSA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1ncc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001398880730 901620406 /nfs/dbraw/zinc/62/04/06/901620406.db2.gz MEZQEBLWROLNDE-DGCLKSJQSA-N 2 1 294.403 -0.014 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001399007874 901647943 /nfs/dbraw/zinc/64/79/43/901647943.db2.gz REHNRGONJZILGE-SNVBAGLBSA-N 2 1 281.360 -0.626 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCN1CCCC1=O ZINC001399013373 901649509 /nfs/dbraw/zinc/64/95/09/901649509.db2.gz HMNIGZPGVMYTMF-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001399108748 901664877 /nfs/dbraw/zinc/66/48/77/901664877.db2.gz ROVQHDCOTKRVIJ-SNVBAGLBSA-N 2 1 283.380 -0.854 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001399108748 901664885 /nfs/dbraw/zinc/66/48/85/901664885.db2.gz ROVQHDCOTKRVIJ-SNVBAGLBSA-N 2 1 283.380 -0.854 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001399098146 901666600 /nfs/dbraw/zinc/66/66/00/901666600.db2.gz MCPCQPLZKBIEPR-MNOVXSKESA-N 2 1 297.407 -0.293 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001399098146 901666604 /nfs/dbraw/zinc/66/66/04/901666604.db2.gz MCPCQPLZKBIEPR-MNOVXSKESA-N 2 1 297.407 -0.293 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399122349 901669577 /nfs/dbraw/zinc/66/95/77/901669577.db2.gz QXDWMCZAIOFNEP-WDEREUQCSA-N 2 1 270.377 -0.832 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001399163390 901676101 /nfs/dbraw/zinc/67/61/01/901676101.db2.gz NQESKRPLJXJEDA-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001399338536 901702961 /nfs/dbraw/zinc/70/29/61/901702961.db2.gz GTJYYMYQIOLGDJ-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001399416355 901713265 /nfs/dbraw/zinc/71/32/65/901713265.db2.gz OJJRTKKHPFPIOX-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001457347798 914558925 /nfs/dbraw/zinc/55/89/25/914558925.db2.gz XUIBTJVBHOOPOL-CHWSQXEVSA-N 2 1 298.431 -0.242 20 0 CBADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)C1 ZINC001457420102 914559806 /nfs/dbraw/zinc/55/98/06/914559806.db2.gz ZRTKVQVJZPGFSY-BFHYXJOUSA-N 2 1 280.416 -0.073 20 0 CBADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)C1 ZINC001457420102 914559814 /nfs/dbraw/zinc/55/98/14/914559814.db2.gz ZRTKVQVJZPGFSY-BFHYXJOUSA-N 2 1 280.416 -0.073 20 0 CBADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001457420102 914559822 /nfs/dbraw/zinc/55/98/22/914559822.db2.gz ZRTKVQVJZPGFSY-BFHYXJOUSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001399574750 901751469 /nfs/dbraw/zinc/75/14/69/901751469.db2.gz JHCVICDJRFRGGY-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001399574750 901751477 /nfs/dbraw/zinc/75/14/77/901751477.db2.gz JHCVICDJRFRGGY-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001399574750 901751490 /nfs/dbraw/zinc/75/14/90/901751490.db2.gz JHCVICDJRFRGGY-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001399574750 901751499 /nfs/dbraw/zinc/75/14/99/901751499.db2.gz JHCVICDJRFRGGY-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)[C@H]2CCN(C)C2=O)C1 ZINC001399574754 901752704 /nfs/dbraw/zinc/75/27/04/901752704.db2.gz JHCVICDJRFRGGY-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)[C@H]2CCN(C)C2=O)C1 ZINC001399574754 901752713 /nfs/dbraw/zinc/75/27/13/901752713.db2.gz JHCVICDJRFRGGY-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001399574754 901752725 /nfs/dbraw/zinc/75/27/25/901752725.db2.gz JHCVICDJRFRGGY-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001399574754 901752729 /nfs/dbraw/zinc/75/27/29/901752729.db2.gz JHCVICDJRFRGGY-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)CCn2cncn2)C1 ZINC001399573103 901753182 /nfs/dbraw/zinc/75/31/82/901753182.db2.gz DPAVFEFRBYQBMB-ZDUSSCGKSA-N 2 1 294.403 -0.332 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)CCn2cncn2)C1 ZINC001399573103 901753198 /nfs/dbraw/zinc/75/31/98/901753198.db2.gz DPAVFEFRBYQBMB-ZDUSSCGKSA-N 2 1 294.403 -0.332 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)CCn2cncn2)C1 ZINC001399573103 901753206 /nfs/dbraw/zinc/75/32/06/901753206.db2.gz DPAVFEFRBYQBMB-ZDUSSCGKSA-N 2 1 294.403 -0.332 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001399654815 901766264 /nfs/dbraw/zinc/76/62/64/901766264.db2.gz KURPEQAXWYYMCZ-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001399654815 901766276 /nfs/dbraw/zinc/76/62/76/901766276.db2.gz KURPEQAXWYYMCZ-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001399654815 901766286 /nfs/dbraw/zinc/76/62/86/901766286.db2.gz KURPEQAXWYYMCZ-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001399654815 901766301 /nfs/dbraw/zinc/76/63/01/901766301.db2.gz KURPEQAXWYYMCZ-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCN(C)C1=O ZINC001399651936 901767351 /nfs/dbraw/zinc/76/73/51/901767351.db2.gz BEKKEVQLADJOHY-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCN(C)C1=O ZINC001399651936 901767359 /nfs/dbraw/zinc/76/73/59/901767359.db2.gz BEKKEVQLADJOHY-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001399651936 901767374 /nfs/dbraw/zinc/76/73/74/901767374.db2.gz BEKKEVQLADJOHY-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001399651936 901767389 /nfs/dbraw/zinc/76/73/89/901767389.db2.gz BEKKEVQLADJOHY-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001399876351 901821544 /nfs/dbraw/zinc/82/15/44/901821544.db2.gz YEJIDWCRYVRXFY-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001399876351 901821553 /nfs/dbraw/zinc/82/15/53/901821553.db2.gz YEJIDWCRYVRXFY-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCNC(=O)CN1CCC[C@H]1CNC(=O)CN1CCCC1 ZINC001399889177 901825141 /nfs/dbraw/zinc/82/51/41/901825141.db2.gz CURVUGAANQEDPF-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(N)=O ZINC001399941787 901837793 /nfs/dbraw/zinc/83/77/93/901837793.db2.gz LEHOVNQHWKQVKJ-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(N)=O ZINC001399941787 901837801 /nfs/dbraw/zinc/83/78/01/901837801.db2.gz LEHOVNQHWKQVKJ-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(N)=O ZINC001399941787 901837810 /nfs/dbraw/zinc/83/78/10/901837810.db2.gz LEHOVNQHWKQVKJ-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CC(N)=O ZINC001399941787 901837816 /nfs/dbraw/zinc/83/78/16/901837816.db2.gz LEHOVNQHWKQVKJ-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP COCC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001399926886 901839186 /nfs/dbraw/zinc/83/91/86/901839186.db2.gz HJLKEZSYLQUNGG-AWEZNQCLSA-N 2 1 299.415 -0.207 20 0 CBADMP COCC[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001399926886 901839191 /nfs/dbraw/zinc/83/91/91/901839191.db2.gz HJLKEZSYLQUNGG-AWEZNQCLSA-N 2 1 299.415 -0.207 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001399942067 901839510 /nfs/dbraw/zinc/83/95/10/901839510.db2.gz XKWXTYWFFHGNNE-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CC[NH+](CC)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399971387 901845217 /nfs/dbraw/zinc/84/52/17/901845217.db2.gz GZJLYMSALMGLMZ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001400043134 901862014 /nfs/dbraw/zinc/86/20/14/901862014.db2.gz YJEKXXCBUREDJS-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001400043134 901862023 /nfs/dbraw/zinc/86/20/23/901862023.db2.gz YJEKXXCBUREDJS-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001400043134 901862030 /nfs/dbraw/zinc/86/20/30/901862030.db2.gz YJEKXXCBUREDJS-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001400043134 901862040 /nfs/dbraw/zinc/86/20/40/901862040.db2.gz YJEKXXCBUREDJS-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001400054862 901867064 /nfs/dbraw/zinc/86/70/64/901867064.db2.gz MQBNKGNCQHGIHH-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001400065970 901869209 /nfs/dbraw/zinc/86/92/09/901869209.db2.gz FQDNSXXVFQPWGF-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001400075183 901874521 /nfs/dbraw/zinc/87/45/21/901874521.db2.gz ZJHOONUGQWCQEV-LLVKDONJSA-N 2 1 286.420 -0.114 20 0 CBADMP C[N@H+](CC(N)=O)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001400245285 901903017 /nfs/dbraw/zinc/90/30/17/901903017.db2.gz GZHPIFIVZPEBQA-ZDUSSCGKSA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001400245285 901903034 /nfs/dbraw/zinc/90/30/34/901903034.db2.gz GZHPIFIVZPEBQA-ZDUSSCGKSA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001400245285 901903051 /nfs/dbraw/zinc/90/30/51/901903051.db2.gz GZHPIFIVZPEBQA-ZDUSSCGKSA-N 2 1 296.415 -0.406 20 0 CBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001400594454 901976401 /nfs/dbraw/zinc/97/64/01/901976401.db2.gz VTEMQMXBHGENPT-XUXIUFHCSA-N 2 1 297.399 -0.770 20 0 CBADMP COC[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001400594454 901976413 /nfs/dbraw/zinc/97/64/13/901976413.db2.gz VTEMQMXBHGENPT-XUXIUFHCSA-N 2 1 297.399 -0.770 20 0 CBADMP COC[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001400594454 901976421 /nfs/dbraw/zinc/97/64/21/901976421.db2.gz VTEMQMXBHGENPT-XUXIUFHCSA-N 2 1 297.399 -0.770 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001400626829 901982108 /nfs/dbraw/zinc/98/21/08/901982108.db2.gz DZRPCXTVWMABFM-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001400626829 901982119 /nfs/dbraw/zinc/98/21/19/901982119.db2.gz DZRPCXTVWMABFM-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001400626829 901982131 /nfs/dbraw/zinc/98/21/31/901982131.db2.gz DZRPCXTVWMABFM-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001400626829 901982140 /nfs/dbraw/zinc/98/21/40/901982140.db2.gz DZRPCXTVWMABFM-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001400660903 901990556 /nfs/dbraw/zinc/99/05/56/901990556.db2.gz GGMVFBLNNOSWPW-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001400660903 901990571 /nfs/dbraw/zinc/99/05/71/901990571.db2.gz GGMVFBLNNOSWPW-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001400660903 901990578 /nfs/dbraw/zinc/99/05/78/901990578.db2.gz GGMVFBLNNOSWPW-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001400772055 902011178 /nfs/dbraw/zinc/01/11/78/902011178.db2.gz WCNAZDGWEWVFDT-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001400772055 902011191 /nfs/dbraw/zinc/01/11/91/902011191.db2.gz WCNAZDGWEWVFDT-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NC ZINC001400873377 902031702 /nfs/dbraw/zinc/03/17/02/902031702.db2.gz ZRXHHPCGBJMFIY-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001401004852 902038935 /nfs/dbraw/zinc/03/89/35/902038935.db2.gz XRDSMWGBXOQDFU-SWLSCSKDSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001401004864 902040734 /nfs/dbraw/zinc/04/07/34/902040734.db2.gz XRDSMWGBXOQDFU-WFASDCNBSA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001401106561 902054681 /nfs/dbraw/zinc/05/46/81/902054681.db2.gz JFVRBZPIZSQXBS-RYUDHWBXSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1)C(N)=O ZINC001401189306 902077456 /nfs/dbraw/zinc/07/74/56/902077456.db2.gz PWEUCVLVSBFPAV-NWDGAFQWSA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001401266416 902094510 /nfs/dbraw/zinc/09/45/10/902094510.db2.gz LZKBVOLKKZSXLB-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)CCOC)C1 ZINC001401451543 902127381 /nfs/dbraw/zinc/12/73/81/902127381.db2.gz MKRWKMLJDQGWRX-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)CCOC)C1 ZINC001401451543 902127393 /nfs/dbraw/zinc/12/73/93/902127393.db2.gz MKRWKMLJDQGWRX-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)CC[N@H+](C)CCOC)C1 ZINC001401451543 902127406 /nfs/dbraw/zinc/12/74/06/902127406.db2.gz MKRWKMLJDQGWRX-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)CC[N@@H+](C)CCOC)C1 ZINC001401451543 902127417 /nfs/dbraw/zinc/12/74/17/902127417.db2.gz MKRWKMLJDQGWRX-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001401491560 902138847 /nfs/dbraw/zinc/13/88/47/902138847.db2.gz GWEGMSIMZKTGLV-KBPBESRZSA-N 2 1 292.383 -0.258 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001401498885 902141095 /nfs/dbraw/zinc/14/10/95/902141095.db2.gz RYPLCXIUPZWCNX-NWDGAFQWSA-N 2 1 293.371 -0.449 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cscn1 ZINC001401513446 902153756 /nfs/dbraw/zinc/15/37/56/902153756.db2.gz YNJCOWHNJSZQTK-NEPJUHHUSA-N 2 1 298.412 -0.196 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cscn1 ZINC001401513446 902153768 /nfs/dbraw/zinc/15/37/68/902153768.db2.gz YNJCOWHNJSZQTK-NEPJUHHUSA-N 2 1 298.412 -0.196 20 0 CBADMP Cc1nnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)[nH]1 ZINC001401562116 902169228 /nfs/dbraw/zinc/16/92/28/902169228.db2.gz SZQMRRVJIDEJKK-KOLCDFICSA-N 2 1 298.391 -0.807 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401607727 902184989 /nfs/dbraw/zinc/18/49/89/902184989.db2.gz HCIPOWZRGMTKNO-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401607729 902186344 /nfs/dbraw/zinc/18/63/44/902186344.db2.gz HCIPOWZRGMTKNO-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001401609654 902187903 /nfs/dbraw/zinc/18/79/03/902187903.db2.gz LFJANGKTVMSJKN-RYUDHWBXSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001401619237 902192671 /nfs/dbraw/zinc/19/26/71/902192671.db2.gz GLAWYKRJNRKFRE-GHMZBOCLSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001401619237 902192676 /nfs/dbraw/zinc/19/26/76/902192676.db2.gz GLAWYKRJNRKFRE-GHMZBOCLSA-N 2 1 280.376 -0.496 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401646469 902203309 /nfs/dbraw/zinc/20/33/09/902203309.db2.gz HELDWSPEAQKFFZ-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001401637392 902203539 /nfs/dbraw/zinc/20/35/39/902203539.db2.gz HMEKSSANCYPUPN-WOPDTQHZSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001401653104 902208645 /nfs/dbraw/zinc/20/86/45/902208645.db2.gz KWDSWMMUWRMIKW-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP COC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001401654694 902210625 /nfs/dbraw/zinc/21/06/25/902210625.db2.gz VXOBPIRHDCNTJJ-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401670846 902219807 /nfs/dbraw/zinc/21/98/07/902219807.db2.gz RNYFKLYSMWVLNB-MNOVXSKESA-N 2 1 270.377 -0.832 20 0 CBADMP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnnn1C)[NH+](C)C ZINC001401695752 902234328 /nfs/dbraw/zinc/23/43/28/902234328.db2.gz UVFAONBIWIHPBR-HBNTYKKESA-N 2 1 297.407 -0.294 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401704682 902241789 /nfs/dbraw/zinc/24/17/89/902241789.db2.gz BFTJRTAPXJSTEQ-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401771234 902266160 /nfs/dbraw/zinc/26/61/60/902266160.db2.gz KCULVKUYWUZLNN-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401771234 902266171 /nfs/dbraw/zinc/26/61/71/902266171.db2.gz KCULVKUYWUZLNN-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001401762264 902267398 /nfs/dbraw/zinc/26/73/98/902267398.db2.gz PYWBSVKVVDHCRM-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001401762264 902267413 /nfs/dbraw/zinc/26/74/13/902267413.db2.gz PYWBSVKVVDHCRM-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001401777656 902271627 /nfs/dbraw/zinc/27/16/27/902271627.db2.gz HELVYYICSZTPOA-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001401777656 902271634 /nfs/dbraw/zinc/27/16/34/902271634.db2.gz HELVYYICSZTPOA-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001401777656 902271638 /nfs/dbraw/zinc/27/16/38/902271638.db2.gz HELVYYICSZTPOA-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001401777656 902271644 /nfs/dbraw/zinc/27/16/44/902271644.db2.gz HELVYYICSZTPOA-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001401793721 902280258 /nfs/dbraw/zinc/28/02/58/902280258.db2.gz CBTLQSOARBSLMK-GHMZBOCLSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001401793721 902280267 /nfs/dbraw/zinc/28/02/67/902280267.db2.gz CBTLQSOARBSLMK-GHMZBOCLSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+](C)CCO)C1 ZINC001401809602 902281870 /nfs/dbraw/zinc/28/18/70/902281870.db2.gz VEPFBLCKIREKKS-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+](C)CCO)C1 ZINC001401809602 902281882 /nfs/dbraw/zinc/28/18/82/902281882.db2.gz VEPFBLCKIREKKS-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCO)C1 ZINC001401809602 902281893 /nfs/dbraw/zinc/28/18/93/902281893.db2.gz VEPFBLCKIREKKS-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCO)C1 ZINC001401809602 902281903 /nfs/dbraw/zinc/28/19/03/902281903.db2.gz VEPFBLCKIREKKS-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001401847171 902288243 /nfs/dbraw/zinc/28/82/43/902288243.db2.gz VPEPHDFKTMPEQW-STQMWFEESA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001401959379 902324267 /nfs/dbraw/zinc/32/42/67/902324267.db2.gz NRLKAUZACUHJGG-RYUDHWBXSA-N 2 1 294.399 -0.402 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@H](C)O)CC2)C1 ZINC001401984604 902330156 /nfs/dbraw/zinc/33/01/56/902330156.db2.gz GRMNNOJLUBOIHH-NWDGAFQWSA-N 2 1 285.388 -0.674 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@H](C)O)CC2)C1 ZINC001401984604 902330168 /nfs/dbraw/zinc/33/01/68/902330168.db2.gz GRMNNOJLUBOIHH-NWDGAFQWSA-N 2 1 285.388 -0.674 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@H](C)O)CC2)C1 ZINC001401984609 902330442 /nfs/dbraw/zinc/33/04/42/902330442.db2.gz GRMNNOJLUBOIHH-RYUDHWBXSA-N 2 1 285.388 -0.674 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@H](C)O)CC2)C1 ZINC001401984609 902330450 /nfs/dbraw/zinc/33/04/50/902330450.db2.gz GRMNNOJLUBOIHH-RYUDHWBXSA-N 2 1 285.388 -0.674 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001402059706 902345444 /nfs/dbraw/zinc/34/54/44/902345444.db2.gz MRNMCWIMMOYMOG-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001402137381 902367943 /nfs/dbraw/zinc/36/79/43/902367943.db2.gz RLGKRXPYHBKWSU-ZDUSSCGKSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001402137381 902367935 /nfs/dbraw/zinc/36/79/35/902367935.db2.gz RLGKRXPYHBKWSU-ZDUSSCGKSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001402137381 902367954 /nfs/dbraw/zinc/36/79/54/902367954.db2.gz RLGKRXPYHBKWSU-ZDUSSCGKSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001402137381 902367964 /nfs/dbraw/zinc/36/79/64/902367964.db2.gz RLGKRXPYHBKWSU-ZDUSSCGKSA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)CC)C1 ZINC001402225587 902386764 /nfs/dbraw/zinc/38/67/64/902386764.db2.gz AWXORUKUFORRAM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)CC)C1 ZINC001402225587 902386777 /nfs/dbraw/zinc/38/67/77/902386777.db2.gz AWXORUKUFORRAM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)CC)C1 ZINC001402225587 902386789 /nfs/dbraw/zinc/38/67/89/902386789.db2.gz AWXORUKUFORRAM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)CC)C1 ZINC001402225587 902386802 /nfs/dbraw/zinc/38/68/02/902386802.db2.gz AWXORUKUFORRAM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001402274398 902403054 /nfs/dbraw/zinc/40/30/54/902403054.db2.gz XMFTVLNRJYJVES-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001458044480 914622176 /nfs/dbraw/zinc/62/21/76/914622176.db2.gz YBZIPELONOGPAB-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC001458044480 914622184 /nfs/dbraw/zinc/62/21/84/914622184.db2.gz YBZIPELONOGPAB-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP COC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001402290716 902411360 /nfs/dbraw/zinc/41/13/60/902411360.db2.gz MUGHGPCRPNDNBT-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001402413876 902445024 /nfs/dbraw/zinc/44/50/24/902445024.db2.gz PWGJKIICWOQSTC-CMPLNLGQSA-N 2 1 293.371 -0.639 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001402414275 902445441 /nfs/dbraw/zinc/44/54/41/902445441.db2.gz PWGJKIICWOQSTC-JQWIXIFHSA-N 2 1 293.371 -0.639 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001402463127 902456484 /nfs/dbraw/zinc/45/64/84/902456484.db2.gz QCVMAJZHGJLEEB-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001402498678 902465812 /nfs/dbraw/zinc/46/58/12/902465812.db2.gz OJEVYYPYTVRDQS-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCF)CCC2)C1 ZINC001402550797 902475300 /nfs/dbraw/zinc/47/53/00/902475300.db2.gz VXACUANZMHGLRL-LLVKDONJSA-N 2 1 273.352 -0.085 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCF)CCC2)C1 ZINC001402550797 902475307 /nfs/dbraw/zinc/47/53/07/902475307.db2.gz VXACUANZMHGLRL-LLVKDONJSA-N 2 1 273.352 -0.085 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001402574657 902480632 /nfs/dbraw/zinc/48/06/32/902480632.db2.gz LOOQQDAASCOBQG-FRRDWIJNSA-N 2 1 296.415 -0.156 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001402702633 902506018 /nfs/dbraw/zinc/50/60/18/902506018.db2.gz VEFWOUNECMCMDQ-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001402723199 902509507 /nfs/dbraw/zinc/50/95/07/902509507.db2.gz UAOVDMIRORARBY-OAHLLOKOSA-N 2 1 296.415 -0.262 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001402792292 902521481 /nfs/dbraw/zinc/52/14/81/902521481.db2.gz RIHCKMZBDRDZKM-CMPLNLGQSA-N 2 1 293.371 -0.626 20 0 CBADMP CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001402847237 902535284 /nfs/dbraw/zinc/53/52/84/902535284.db2.gz DPECBTDOJCVTKW-NWDGAFQWSA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001402847237 902535298 /nfs/dbraw/zinc/53/52/98/902535298.db2.gz DPECBTDOJCVTKW-NWDGAFQWSA-N 2 1 294.403 -0.014 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)[C@H]1CCC[NH+]1C ZINC001458250636 914634699 /nfs/dbraw/zinc/63/46/99/914634699.db2.gz TZEDDLNPLCUJLD-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001458250636 914634705 /nfs/dbraw/zinc/63/47/05/914634705.db2.gz TZEDDLNPLCUJLD-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001458250636 914634712 /nfs/dbraw/zinc/63/47/12/914634712.db2.gz TZEDDLNPLCUJLD-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001402908712 902560544 /nfs/dbraw/zinc/56/05/44/902560544.db2.gz QAFWVZOAQHTZTR-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)CC(=O)NC ZINC001402930801 902563919 /nfs/dbraw/zinc/56/39/19/902563919.db2.gz UAIBXFSFNSKSAZ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)CC(=O)NC ZINC001402930801 902563928 /nfs/dbraw/zinc/56/39/28/902563928.db2.gz UAIBXFSFNSKSAZ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CC(=O)NC ZINC001402930801 902563931 /nfs/dbraw/zinc/56/39/31/902563931.db2.gz UAIBXFSFNSKSAZ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)CC(=O)NC ZINC001402930801 902563940 /nfs/dbraw/zinc/56/39/40/902563940.db2.gz UAIBXFSFNSKSAZ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)[NH2+]CC(N)=O ZINC001402995345 902587432 /nfs/dbraw/zinc/58/74/32/902587432.db2.gz GWIDKGJNOOXFHU-UWVGGRQHSA-N 2 1 270.377 -0.561 20 0 CBADMP CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001403053103 902602718 /nfs/dbraw/zinc/60/27/18/902602718.db2.gz GUQJXHCAXGTYGK-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001403064563 902606213 /nfs/dbraw/zinc/60/62/13/902606213.db2.gz UTLYTTVRNNTFLD-ZJUUUORDSA-N 2 1 283.380 -0.855 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)CCCO ZINC001403107945 902616791 /nfs/dbraw/zinc/61/67/91/902616791.db2.gz FJPBBLMUMWDWJW-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)CCCO ZINC001403107945 902616798 /nfs/dbraw/zinc/61/67/98/902616798.db2.gz FJPBBLMUMWDWJW-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+](C)CCCO ZINC001403107945 902616802 /nfs/dbraw/zinc/61/68/02/902616802.db2.gz FJPBBLMUMWDWJW-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+](C)CCCO ZINC001403107945 902616808 /nfs/dbraw/zinc/61/68/08/902616808.db2.gz FJPBBLMUMWDWJW-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)CC(=O)N(C)C ZINC001403128792 902622862 /nfs/dbraw/zinc/62/28/62/902622862.db2.gz DGBFDZVYKNDLQZ-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)CC(=O)N(C)C ZINC001403128792 902622867 /nfs/dbraw/zinc/62/28/67/902622867.db2.gz DGBFDZVYKNDLQZ-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)CC(=O)N(C)C ZINC001403128792 902622873 /nfs/dbraw/zinc/62/28/73/902622873.db2.gz DGBFDZVYKNDLQZ-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)CC(=O)N(C)C ZINC001403128792 902622881 /nfs/dbraw/zinc/62/28/81/902622881.db2.gz DGBFDZVYKNDLQZ-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)CC(N)=O ZINC001403203519 902648882 /nfs/dbraw/zinc/64/88/82/902648882.db2.gz XRVFAHCRZXDNFB-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)CC(N)=O ZINC001403203519 902648886 /nfs/dbraw/zinc/64/88/86/902648886.db2.gz XRVFAHCRZXDNFB-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001403217661 902651340 /nfs/dbraw/zinc/65/13/40/902651340.db2.gz VVZBHPXDQFNRSC-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001403332389 902667495 /nfs/dbraw/zinc/66/74/95/902667495.db2.gz RGEPQAJHAMXMBL-MNOVXSKESA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001403332389 902667507 /nfs/dbraw/zinc/66/75/07/902667507.db2.gz RGEPQAJHAMXMBL-MNOVXSKESA-N 2 1 284.404 -0.362 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001403320191 902669124 /nfs/dbraw/zinc/66/91/24/902669124.db2.gz CUJXKGWWKNVZHB-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001403325098 902669516 /nfs/dbraw/zinc/66/95/16/902669516.db2.gz MWVIFXKRWZLCDW-NSHDSACASA-N 2 1 284.404 -0.537 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001403421734 902686247 /nfs/dbraw/zinc/68/62/47/902686247.db2.gz QHQRGHKCYFDGDY-XYYAHUGASA-N 2 1 278.356 -0.522 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001403421734 902686254 /nfs/dbraw/zinc/68/62/54/902686254.db2.gz QHQRGHKCYFDGDY-XYYAHUGASA-N 2 1 278.356 -0.522 20 0 CBADMP C[C@H](O)C[NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001403452303 902691994 /nfs/dbraw/zinc/69/19/94/902691994.db2.gz IRKXBYDRHBSCCY-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403465556 902695011 /nfs/dbraw/zinc/69/50/11/902695011.db2.gz JJCOGTHLFGUANK-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001403486963 902698641 /nfs/dbraw/zinc/69/86/41/902698641.db2.gz LXXUVKMSIODBSG-GHMZBOCLSA-N 2 1 272.393 -0.315 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403534128 902714800 /nfs/dbraw/zinc/71/48/00/902714800.db2.gz UBFAQYIKDFIONV-VXGBXAGGSA-N 2 1 282.388 -0.608 20 0 CBADMP CCNC(=O)CN(C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001403576927 902738198 /nfs/dbraw/zinc/73/81/98/902738198.db2.gz OYWWOBGHFVXVNW-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001403595585 902742875 /nfs/dbraw/zinc/74/28/75/902742875.db2.gz UCNHRCCESRFLKR-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001403595585 902742884 /nfs/dbraw/zinc/74/28/84/902742884.db2.gz UCNHRCCESRFLKR-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC001403595585 902742894 /nfs/dbraw/zinc/74/28/94/902742894.db2.gz UCNHRCCESRFLKR-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCNC1=O ZINC001403595585 902742907 /nfs/dbraw/zinc/74/29/07/902742907.db2.gz UCNHRCCESRFLKR-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001403618776 902750489 /nfs/dbraw/zinc/75/04/89/902750489.db2.gz PHAFDTOECUPYPN-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccccn1)[NH+](C)C ZINC001403704711 902812683 /nfs/dbraw/zinc/81/26/83/902812683.db2.gz RHYJMVDHQHZWOT-KBPBESRZSA-N 2 1 294.399 -0.012 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001403712905 902814834 /nfs/dbraw/zinc/81/48/34/902814834.db2.gz AXGLFNLEOTYMIL-NWDGAFQWSA-N 2 1 298.387 -0.110 20 0 CBADMP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1conc1C)[NH+](C)C ZINC001403726028 902822725 /nfs/dbraw/zinc/82/27/25/902822725.db2.gz NACDLTDOYOGQHY-CHWSQXEVSA-N 2 1 298.387 -0.110 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1conc1C)[NH+](C)C ZINC001403726035 902823651 /nfs/dbraw/zinc/82/36/51/902823651.db2.gz NACDLTDOYOGQHY-QWHCGFSZSA-N 2 1 298.387 -0.110 20 0 CBADMP CCN1CC[C@@H]([N@H+](C)CCNC(=O)CC[NH+](C)CC)C1=O ZINC001403735305 902830302 /nfs/dbraw/zinc/83/03/02/902830302.db2.gz IIJDKNLJPJPDIM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN1CC[C@@H]([N@@H+](C)CCNC(=O)CC[NH+](C)CC)C1=O ZINC001403735305 902830309 /nfs/dbraw/zinc/83/03/09/902830309.db2.gz IIJDKNLJPJPDIM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN1CC[C@@H]([NH+](C)CCNC(=O)CC[N@H+](C)CC)C1=O ZINC001403735305 902830319 /nfs/dbraw/zinc/83/03/19/902830319.db2.gz IIJDKNLJPJPDIM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN1CC[C@@H]([NH+](C)CCNC(=O)CC[N@@H+](C)CC)C1=O ZINC001403735305 902830328 /nfs/dbraw/zinc/83/03/28/902830328.db2.gz IIJDKNLJPJPDIM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)CCn1cncn1)[NH+](C)C ZINC001403746589 902832298 /nfs/dbraw/zinc/83/22/98/902832298.db2.gz YBPQUWZSUAHBFQ-GFCCVEGCSA-N 2 1 282.392 -0.334 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC)[NH+](C)C ZINC001403740084 902833931 /nfs/dbraw/zinc/83/39/31/902833931.db2.gz LBROQSWYZIRTQV-WDEREUQCSA-N 2 1 272.393 -0.491 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)C[C@H]2CCOC2)C1 ZINC001403784729 902845951 /nfs/dbraw/zinc/84/59/51/902845951.db2.gz LPONUSOIBQYMAB-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)C[C@H]2CCOC2)C1 ZINC001403784729 902845966 /nfs/dbraw/zinc/84/59/66/902845966.db2.gz LPONUSOIBQYMAB-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)C[C@H]2CCOC2)C1 ZINC001403784729 902845978 /nfs/dbraw/zinc/84/59/78/902845978.db2.gz LPONUSOIBQYMAB-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)C[C@H]2CCOC2)C1 ZINC001403784729 902845989 /nfs/dbraw/zinc/84/59/89/902845989.db2.gz LPONUSOIBQYMAB-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H](C)C(N)=O ZINC001403852396 902878782 /nfs/dbraw/zinc/87/87/82/902878782.db2.gz PHPJLZACYJTTJZ-AAEUAGOBSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H](C)C(N)=O ZINC001403852396 902878800 /nfs/dbraw/zinc/87/88/00/902878800.db2.gz PHPJLZACYJTTJZ-AAEUAGOBSA-N 2 1 296.415 -0.360 20 0 CBADMP CO[C@@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001403883368 902889575 /nfs/dbraw/zinc/88/95/75/902889575.db2.gz QDGSNCBAHIZFKJ-AAEUAGOBSA-N 2 1 298.387 -0.365 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)[C@@H]1CCN(C)C1=O ZINC001403953392 902910225 /nfs/dbraw/zinc/91/02/25/902910225.db2.gz UDTNCUAGOAAYJX-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN1CCO[C@@H](C(=O)NCC[N@@H+](CC)C[C@@H](C)O)C1 ZINC001403949903 902910515 /nfs/dbraw/zinc/91/05/15/902910515.db2.gz OMBYTDPTIFUDDQ-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)C[C@@H](C)O ZINC001403949903 902910524 /nfs/dbraw/zinc/91/05/24/902910524.db2.gz OMBYTDPTIFUDDQ-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)C[C@@H](C)O ZINC001403949903 902910533 /nfs/dbraw/zinc/91/05/33/902910533.db2.gz OMBYTDPTIFUDDQ-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](CC)CCO1)C[C@@H](C)O ZINC001403949903 902910540 /nfs/dbraw/zinc/91/05/40/902910540.db2.gz OMBYTDPTIFUDDQ-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C[C@@H](C)O ZINC001403949903 902910549 /nfs/dbraw/zinc/91/05/49/902910549.db2.gz OMBYTDPTIFUDDQ-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC ZINC001403940785 902914187 /nfs/dbraw/zinc/91/41/87/902914187.db2.gz QHOSCEJZBJOIHV-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC ZINC001403940785 902914194 /nfs/dbraw/zinc/91/41/94/902914194.db2.gz QHOSCEJZBJOIHV-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC ZINC001403940785 902914198 /nfs/dbraw/zinc/91/41/98/902914198.db2.gz QHOSCEJZBJOIHV-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)C(=O)NC ZINC001403940785 902914204 /nfs/dbraw/zinc/91/42/04/902914204.db2.gz QHOSCEJZBJOIHV-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC ZINC001403940785 902914208 /nfs/dbraw/zinc/91/42/08/902914208.db2.gz QHOSCEJZBJOIHV-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001404023165 902925735 /nfs/dbraw/zinc/92/57/35/902925735.db2.gz ZTPKRFOFERRWCG-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001404023165 902925743 /nfs/dbraw/zinc/92/57/43/902925743.db2.gz ZTPKRFOFERRWCG-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001404098301 902940550 /nfs/dbraw/zinc/94/05/50/902940550.db2.gz ZPVIOOOCCKCUGC-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001404098301 902940566 /nfs/dbraw/zinc/94/05/66/902940566.db2.gz ZPVIOOOCCKCUGC-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404098301 902940577 /nfs/dbraw/zinc/94/05/77/902940577.db2.gz ZPVIOOOCCKCUGC-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001404208623 902951004 /nfs/dbraw/zinc/95/10/04/902951004.db2.gz CWSMQBWCZIKXNB-STQMWFEESA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001404208623 902951013 /nfs/dbraw/zinc/95/10/13/902951013.db2.gz CWSMQBWCZIKXNB-STQMWFEESA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001404208623 902951021 /nfs/dbraw/zinc/95/10/21/902951021.db2.gz CWSMQBWCZIKXNB-STQMWFEESA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001404208623 902951030 /nfs/dbraw/zinc/95/10/30/902951030.db2.gz CWSMQBWCZIKXNB-STQMWFEESA-N 2 1 296.415 -0.075 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001404169284 902951509 /nfs/dbraw/zinc/95/15/09/902951509.db2.gz DMSQASDAOMICQS-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCNC1=O ZINC001404169284 902951517 /nfs/dbraw/zinc/95/15/17/902951517.db2.gz DMSQASDAOMICQS-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC001404169284 902951524 /nfs/dbraw/zinc/95/15/24/902951524.db2.gz DMSQASDAOMICQS-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+][C@H]1CCCNC1=O ZINC001404308574 902969278 /nfs/dbraw/zinc/96/92/78/902969278.db2.gz DAXYDZBOPYUXML-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001404519094 902994514 /nfs/dbraw/zinc/99/45/14/902994514.db2.gz PBPUVLVIPZYJBT-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001404519094 902994522 /nfs/dbraw/zinc/99/45/22/902994522.db2.gz PBPUVLVIPZYJBT-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001404519094 902994528 /nfs/dbraw/zinc/99/45/28/902994528.db2.gz PBPUVLVIPZYJBT-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001404519088 902996361 /nfs/dbraw/zinc/99/63/61/902996361.db2.gz PBPUVLVIPZYJBT-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001404519088 902996369 /nfs/dbraw/zinc/99/63/69/902996369.db2.gz PBPUVLVIPZYJBT-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001404519088 902996375 /nfs/dbraw/zinc/99/63/75/902996375.db2.gz PBPUVLVIPZYJBT-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001404594979 903003752 /nfs/dbraw/zinc/00/37/52/903003752.db2.gz FRYTYALQSYGHDR-GFCCVEGCSA-N 2 1 294.399 -0.652 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001405068280 903079600 /nfs/dbraw/zinc/07/96/00/903079600.db2.gz MQGOONODOWLOHS-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001405068280 903079565 /nfs/dbraw/zinc/07/95/65/903079565.db2.gz MQGOONODOWLOHS-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001405068280 903079574 /nfs/dbraw/zinc/07/95/74/903079574.db2.gz MQGOONODOWLOHS-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001405068280 903079588 /nfs/dbraw/zinc/07/95/88/903079588.db2.gz MQGOONODOWLOHS-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001405166932 903095696 /nfs/dbraw/zinc/09/56/96/903095696.db2.gz CQNVTQBZWNFJHL-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001405357044 903155286 /nfs/dbraw/zinc/15/52/86/903155286.db2.gz ZKBOQTYZLZFPDN-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001405357006 903155422 /nfs/dbraw/zinc/15/54/22/903155422.db2.gz ZKBOQTYZLZFPDN-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001405363859 903157281 /nfs/dbraw/zinc/15/72/81/903157281.db2.gz SBSKXNUURUAVMY-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001405720233 903207466 /nfs/dbraw/zinc/20/74/66/903207466.db2.gz QODSOIBGKXTCOW-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001405723869 903208247 /nfs/dbraw/zinc/20/82/47/903208247.db2.gz VRTZPTROMLCGPV-VXGBXAGGSA-N 2 1 286.420 -0.197 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405748870 903214706 /nfs/dbraw/zinc/21/47/06/903214706.db2.gz ZFYOLHCPYXKREW-STQMWFEESA-N 2 1 298.431 -0.194 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001405831810 903232227 /nfs/dbraw/zinc/23/22/27/903232227.db2.gz HEGUECGDLTUGJB-PWSUYJOCSA-N 2 1 293.371 -0.483 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001405891516 903244852 /nfs/dbraw/zinc/24/48/52/903244852.db2.gz MZIDPPSZDDDFER-JQWIXIFHSA-N 2 1 293.371 -0.483 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001405891873 903245092 /nfs/dbraw/zinc/24/50/92/903245092.db2.gz NZRLMLXGQVBBSN-AAEUAGOBSA-N 2 1 298.387 -0.365 20 0 CBADMP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001406049952 903257876 /nfs/dbraw/zinc/25/78/76/903257876.db2.gz VBCALXZSPQSXOZ-NSHDSACASA-N 2 1 297.407 -0.608 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001406174710 903285627 /nfs/dbraw/zinc/28/56/27/903285627.db2.gz MKLMOGTWKHTBSR-GFCCVEGCSA-N 2 1 286.420 -0.019 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001406174710 903285639 /nfs/dbraw/zinc/28/56/39/903285639.db2.gz MKLMOGTWKHTBSR-GFCCVEGCSA-N 2 1 286.420 -0.019 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001406174710 903285654 /nfs/dbraw/zinc/28/56/54/903285654.db2.gz MKLMOGTWKHTBSR-GFCCVEGCSA-N 2 1 286.420 -0.019 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001406174710 903285668 /nfs/dbraw/zinc/28/56/68/903285668.db2.gz MKLMOGTWKHTBSR-GFCCVEGCSA-N 2 1 286.420 -0.019 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H](O)C[NH2+]CC1CCC1 ZINC001406281174 903340902 /nfs/dbraw/zinc/34/09/02/903340902.db2.gz QDCYDEOVUVLXAJ-CQSZACIVSA-N 2 1 299.415 -0.425 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001406320346 903354828 /nfs/dbraw/zinc/35/48/28/903354828.db2.gz GMGUCKAUDXCYKL-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001406397262 903390517 /nfs/dbraw/zinc/39/05/17/903390517.db2.gz ARORAAAWKRAFBP-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001406397262 903390533 /nfs/dbraw/zinc/39/05/33/903390533.db2.gz ARORAAAWKRAFBP-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[N@H+](C)C1CCC1 ZINC001406479477 903415993 /nfs/dbraw/zinc/41/59/93/903415993.db2.gz IJWWNGSBRVZBTG-JTQLQIEISA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001406479477 903415998 /nfs/dbraw/zinc/41/59/98/903415998.db2.gz IJWWNGSBRVZBTG-JTQLQIEISA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)c1nncn1C ZINC001406510556 903422887 /nfs/dbraw/zinc/42/28/87/903422887.db2.gz ICBFVKJPKHVNHA-WDEREUQCSA-N 2 1 282.392 -0.078 20 0 CBADMP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001406542032 903427121 /nfs/dbraw/zinc/42/71/21/903427121.db2.gz DWDVGPLCJJDXCC-JTQLQIEISA-N 2 1 292.387 -0.197 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001406545621 903431782 /nfs/dbraw/zinc/43/17/82/903431782.db2.gz DVSGOLCXZAGENR-JTQLQIEISA-N 2 1 283.380 -0.854 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001406545621 903431800 /nfs/dbraw/zinc/43/18/00/903431800.db2.gz DVSGOLCXZAGENR-JTQLQIEISA-N 2 1 283.380 -0.854 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001406648762 903456470 /nfs/dbraw/zinc/45/64/70/903456470.db2.gz ARHDMNRNJYDMJO-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001406764450 903476331 /nfs/dbraw/zinc/47/63/31/903476331.db2.gz SHKYWNRNPFQOAU-OLZOCXBDSA-N 2 1 296.415 -0.171 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001406852144 903492271 /nfs/dbraw/zinc/49/22/71/903492271.db2.gz GVNJQWOCHZKUCN-UONOGXRCSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC2CC2)CC1 ZINC001406911241 903504536 /nfs/dbraw/zinc/50/45/36/903504536.db2.gz OFFCSPXAPZBCFU-LBPRGKRZSA-N 2 1 294.399 -0.402 20 0 CBADMP CN1CC[C@H]([NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001406953844 903516876 /nfs/dbraw/zinc/51/68/76/903516876.db2.gz LHDCBQKHPPKZHM-NWDGAFQWSA-N 2 1 294.399 -0.450 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001407213804 903556015 /nfs/dbraw/zinc/55/60/15/903556015.db2.gz QJABZUIPYZVHGS-AWEZNQCLSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001407213804 903556025 /nfs/dbraw/zinc/55/60/25/903556025.db2.gz QJABZUIPYZVHGS-AWEZNQCLSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001407213804 903556037 /nfs/dbraw/zinc/55/60/37/903556037.db2.gz QJABZUIPYZVHGS-AWEZNQCLSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001407213804 903556048 /nfs/dbraw/zinc/55/60/48/903556048.db2.gz QJABZUIPYZVHGS-AWEZNQCLSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@]1(NC(=O)CCC[NH+]2CCCC2)CC[N@H+](CC(N)=O)C1 ZINC001407208396 903557280 /nfs/dbraw/zinc/55/72/80/903557280.db2.gz LINZMQSRQLYTSB-HNNXBMFYSA-N 2 1 296.415 -0.072 20 0 CBADMP C[C@]1(NC(=O)CCC[NH+]2CCCC2)CC[N@@H+](CC(N)=O)C1 ZINC001407208396 903557292 /nfs/dbraw/zinc/55/72/92/903557292.db2.gz LINZMQSRQLYTSB-HNNXBMFYSA-N 2 1 296.415 -0.072 20 0 CBADMP C[C@@H](O)CN1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001407421932 903603225 /nfs/dbraw/zinc/60/32/25/903603225.db2.gz ZDBCTCMXPCNSQV-NEPJUHHUSA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@@H](O)CN1CC(O)(CNC(=O)[C@@H]2CCCCN2C)C1 ZINC001407421932 903603227 /nfs/dbraw/zinc/60/32/27/903603227.db2.gz ZDBCTCMXPCNSQV-NEPJUHHUSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](C)CC1(C(=O)NCC2(O)C[NH+](CC3CC3)C2)CC1 ZINC001407434772 903606732 /nfs/dbraw/zinc/60/67/32/903606732.db2.gz KWVLZPFNYYYLCU-UHFFFAOYSA-N 2 1 281.400 -0.099 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H]1CN(CCO)CCO1)C1CCC1 ZINC001407488649 903618634 /nfs/dbraw/zinc/61/86/34/903618634.db2.gz KAABHHGHZGGNPN-ZDUSSCGKSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(CO)CCC[NH+](CCCO)C1 ZINC001407618724 903635968 /nfs/dbraw/zinc/63/59/68/903635968.db2.gz LQCVDNPHTYQFCC-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@]1(CO)CCC[NH+](CCCO)C1 ZINC001407618724 903635979 /nfs/dbraw/zinc/63/59/79/903635979.db2.gz LQCVDNPHTYQFCC-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@]1(CO)CCC[N@H+](CCCO)C1 ZINC001407618724 903635991 /nfs/dbraw/zinc/63/59/91/903635991.db2.gz LQCVDNPHTYQFCC-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001407618724 903636003 /nfs/dbraw/zinc/63/60/03/903636003.db2.gz LQCVDNPHTYQFCC-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)CC[NH+](C)C ZINC001408336237 903754583 /nfs/dbraw/zinc/75/45/83/903754583.db2.gz SCNOSDLXTOZBJT-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001409413883 903896428 /nfs/dbraw/zinc/89/64/28/903896428.db2.gz YDRFXUQPELRPBW-VXGBXAGGSA-N 2 1 295.387 -0.190 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001409447882 903901315 /nfs/dbraw/zinc/90/13/15/903901315.db2.gz NNMYYGWYCUEKCS-VXGBXAGGSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O)C1 ZINC001409436394 903904560 /nfs/dbraw/zinc/90/45/60/903904560.db2.gz ALCHXXFBEKXTKT-LBPRGKRZSA-N 2 1 298.431 -0.112 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)CCn1cncn1 ZINC001409535833 903920645 /nfs/dbraw/zinc/92/06/45/903920645.db2.gz ZQBGWNUEVLRTQI-STQMWFEESA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)CCn1cncn1 ZINC001409535833 903920652 /nfs/dbraw/zinc/92/06/52/903920652.db2.gz ZQBGWNUEVLRTQI-STQMWFEESA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)CCn1cncn1 ZINC001409535833 903920659 /nfs/dbraw/zinc/92/06/59/903920659.db2.gz ZQBGWNUEVLRTQI-STQMWFEESA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001409568570 903933073 /nfs/dbraw/zinc/93/30/73/903933073.db2.gz QGZHAZIAODRNIJ-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001409568570 903933082 /nfs/dbraw/zinc/93/30/82/903933082.db2.gz QGZHAZIAODRNIJ-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001409568570 903933092 /nfs/dbraw/zinc/93/30/92/903933092.db2.gz QGZHAZIAODRNIJ-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001409568570 903933099 /nfs/dbraw/zinc/93/30/99/903933099.db2.gz QGZHAZIAODRNIJ-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)[N@@H+](C)CCO ZINC001409635483 903943917 /nfs/dbraw/zinc/94/39/17/903943917.db2.gz BGYMIFFQDWFMNN-LBPRGKRZSA-N 2 1 297.403 -0.513 20 0 CBADMP CC1(C)C[N@H+](CCO)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001410028420 903994643 /nfs/dbraw/zinc/99/46/43/903994643.db2.gz PPHXNVYELFULAK-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001410028420 903994653 /nfs/dbraw/zinc/99/46/53/903994653.db2.gz PPHXNVYELFULAK-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP CC(C)[C@@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001410268203 904055193 /nfs/dbraw/zinc/05/51/93/904055193.db2.gz KRZURNLYXRZUSA-QWHCGFSZSA-N 2 1 298.431 -0.066 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410478856 904105944 /nfs/dbraw/zinc/10/59/44/904105944.db2.gz ATONQEJTTINSPH-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001410502238 904110914 /nfs/dbraw/zinc/11/09/14/904110914.db2.gz RXGVZJXTCVMYAQ-WDEREUQCSA-N 2 1 295.391 -0.902 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001410502238 904110923 /nfs/dbraw/zinc/11/09/23/904110923.db2.gz RXGVZJXTCVMYAQ-WDEREUQCSA-N 2 1 295.391 -0.902 20 0 CBADMP Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001410797713 904187731 /nfs/dbraw/zinc/18/77/31/904187731.db2.gz ZNZNSFZIPGBXAP-NWDGAFQWSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001410797713 904187736 /nfs/dbraw/zinc/18/77/36/904187736.db2.gz ZNZNSFZIPGBXAP-NWDGAFQWSA-N 2 1 296.371 -0.499 20 0 CBADMP CN(C[C@@H](O)C[NH2+]CC1CCC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001411012445 904223904 /nfs/dbraw/zinc/22/39/04/904223904.db2.gz QYLJFXRHVYVKJM-KBPBESRZSA-N 2 1 299.415 -0.474 20 0 CBADMP CN(C[C@@H](O)C[NH2+]CC1CCC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001411012445 904223916 /nfs/dbraw/zinc/22/39/16/904223916.db2.gz QYLJFXRHVYVKJM-KBPBESRZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)N(C)C(=O)CC[NH+](C)C ZINC001411506563 904309063 /nfs/dbraw/zinc/30/90/63/904309063.db2.gz FNDHWTOVJRBFFF-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP O=C(CCN1CCOCC1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001412523231 904603293 /nfs/dbraw/zinc/60/32/93/904603293.db2.gz SMQCWOYGAZNYGV-UONOGXRCSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001412523231 904603301 /nfs/dbraw/zinc/60/33/01/904603301.db2.gz SMQCWOYGAZNYGV-UONOGXRCSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001412523231 904603306 /nfs/dbraw/zinc/60/33/06/904603306.db2.gz SMQCWOYGAZNYGV-UONOGXRCSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001412686231 904664306 /nfs/dbraw/zinc/66/43/06/904664306.db2.gz CWHWXJOBSOHFAW-LBPRGKRZSA-N 2 1 283.372 -0.702 20 0 CBADMP COC(=O)[C@@H]1CN(CCCN2CCOCC2)CC[N@H+](C)C1 ZINC001413999214 905307899 /nfs/dbraw/zinc/30/78/99/905307899.db2.gz KPJFRCJITWHJCP-AWEZNQCLSA-N 2 1 299.415 -0.255 20 0 CBADMP COC(=O)[C@@H]1CN(CCCN2CCOCC2)CC[N@@H+](C)C1 ZINC001413999214 905307911 /nfs/dbraw/zinc/30/79/11/905307911.db2.gz KPJFRCJITWHJCP-AWEZNQCLSA-N 2 1 299.415 -0.255 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)CC[NH+](C)C ZINC001415259756 905593269 /nfs/dbraw/zinc/59/32/69/905593269.db2.gz YEQANDFQQICCMX-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001415258482 905594322 /nfs/dbraw/zinc/59/43/22/905594322.db2.gz QGNHXDMQIGPXJK-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[C@H](C(=O)NCCN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC001415557675 905638581 /nfs/dbraw/zinc/63/85/81/905638581.db2.gz FQOKEBKTIWYGJX-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415615728 905648955 /nfs/dbraw/zinc/64/89/55/905648955.db2.gz UWUGPFDGFAZAFD-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001415615728 905648939 /nfs/dbraw/zinc/64/89/39/905648939.db2.gz UWUGPFDGFAZAFD-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](C)CCC(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001415615728 905648948 /nfs/dbraw/zinc/64/89/48/905648948.db2.gz UWUGPFDGFAZAFD-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP C[NH+](C)CCC(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001415997747 905692051 /nfs/dbraw/zinc/69/20/51/905692051.db2.gz WQQHSECJURALEC-NSHDSACASA-N 2 1 282.388 -0.783 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001416127273 905716400 /nfs/dbraw/zinc/71/64/00/905716400.db2.gz VGFXLQUKGFZOIA-UHFFFAOYSA-N 2 1 298.431 -0.147 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001417021521 905853047 /nfs/dbraw/zinc/85/30/47/905853047.db2.gz LWNSIUYPLIFHKO-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001417769569 906047051 /nfs/dbraw/zinc/04/70/51/906047051.db2.gz DDMHHFVFDXVOOG-XQQFMLRXSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001417896599 906096563 /nfs/dbraw/zinc/09/65/63/906096563.db2.gz IFFGUQOLVJDDQZ-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001417944177 906118820 /nfs/dbraw/zinc/11/88/20/906118820.db2.gz MRBOLHMAEOPNBF-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001417944177 906118829 /nfs/dbraw/zinc/11/88/29/906118829.db2.gz MRBOLHMAEOPNBF-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001417944177 906118831 /nfs/dbraw/zinc/11/88/31/906118831.db2.gz MRBOLHMAEOPNBF-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001417944177 906118841 /nfs/dbraw/zinc/11/88/41/906118841.db2.gz MRBOLHMAEOPNBF-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]([NH2+][C@H](C)C(N)=O)C1CC1 ZINC001417989290 906130394 /nfs/dbraw/zinc/13/03/94/906130394.db2.gz OJWFIJSOXGBZHQ-ZYHUDNBSSA-N 2 1 293.371 -0.450 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001417980267 906132005 /nfs/dbraw/zinc/13/20/05/906132005.db2.gz ALLSIULKJWNIAM-LBPRGKRZSA-N 2 1 282.388 -0.560 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001418074407 906160270 /nfs/dbraw/zinc/16/02/70/906160270.db2.gz KHRBBUAHPOROOO-JOCQHMNTSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)COC)C2)C1 ZINC001418110952 906172303 /nfs/dbraw/zinc/17/23/03/906172303.db2.gz FJIXALWOZCGHBD-YIYPIFLZSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)COC)C2)C1 ZINC001418110952 906172312 /nfs/dbraw/zinc/17/23/12/906172312.db2.gz FJIXALWOZCGHBD-YIYPIFLZSA-N 2 1 299.415 -0.021 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001418137853 906181191 /nfs/dbraw/zinc/18/11/91/906181191.db2.gz NZGVSHVXRIBGLB-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001418232073 906228594 /nfs/dbraw/zinc/22/85/94/906228594.db2.gz BRKQOXIHIZKKHH-MNOVXSKESA-N 2 1 284.404 -0.301 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001418241455 906236140 /nfs/dbraw/zinc/23/61/40/906236140.db2.gz DMMXTXHYIVJELF-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001418256929 906240845 /nfs/dbraw/zinc/24/08/45/906240845.db2.gz HWEISEHUIFOIMN-SNVBAGLBSA-N 2 1 293.371 -0.436 20 0 CBADMP CCn1cc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001418260990 906242019 /nfs/dbraw/zinc/24/20/19/906242019.db2.gz JNBLHROJXKHEMG-DGCLKSJQSA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1cc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001418260990 906242031 /nfs/dbraw/zinc/24/20/31/906242031.db2.gz JNBLHROJXKHEMG-DGCLKSJQSA-N 2 1 294.403 -0.014 20 0 CBADMP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ncnn1C ZINC001418271395 906249960 /nfs/dbraw/zinc/24/99/60/906249960.db2.gz YVGSRQPFDZAEBF-NSHDSACASA-N 2 1 294.403 -0.249 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)CC2 ZINC001418270732 906250140 /nfs/dbraw/zinc/25/01/40/906250140.db2.gz OCKCJMSVWXJZCS-GXSJLCMTSA-N 2 1 293.371 -0.666 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001418314127 906278309 /nfs/dbraw/zinc/27/83/09/906278309.db2.gz RGYDKIOAFOJCOK-QWRGUYRKSA-N 2 1 272.393 -0.445 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001418487729 906363892 /nfs/dbraw/zinc/36/38/92/906363892.db2.gz MYHFQDSDRODQCO-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001418487729 906363909 /nfs/dbraw/zinc/36/39/09/906363909.db2.gz MYHFQDSDRODQCO-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001418487729 906363923 /nfs/dbraw/zinc/36/39/23/906363923.db2.gz MYHFQDSDRODQCO-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001418487729 906363938 /nfs/dbraw/zinc/36/39/38/906363938.db2.gz MYHFQDSDRODQCO-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001418487731 906364850 /nfs/dbraw/zinc/36/48/50/906364850.db2.gz MYHFQDSDRODQCO-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001418487731 906364858 /nfs/dbraw/zinc/36/48/58/906364858.db2.gz MYHFQDSDRODQCO-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001418487731 906364876 /nfs/dbraw/zinc/36/48/76/906364876.db2.gz MYHFQDSDRODQCO-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001418487731 906364891 /nfs/dbraw/zinc/36/48/91/906364891.db2.gz MYHFQDSDRODQCO-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001418497077 906371632 /nfs/dbraw/zinc/37/16/32/906371632.db2.gz VXCBJAPJSOXYPC-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001418497077 906371639 /nfs/dbraw/zinc/37/16/39/906371639.db2.gz VXCBJAPJSOXYPC-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001418497077 906371648 /nfs/dbraw/zinc/37/16/48/906371648.db2.gz VXCBJAPJSOXYPC-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP Cn1ccc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)cc1=O ZINC001418496382 906372553 /nfs/dbraw/zinc/37/25/53/906372553.db2.gz ZCEKGGNBQOMQCD-UHFFFAOYSA-N 2 1 294.399 -0.115 20 0 CBADMP CCCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001418519820 906384654 /nfs/dbraw/zinc/38/46/54/906384654.db2.gz OGEOBNMFEXKEEM-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001418519820 906384670 /nfs/dbraw/zinc/38/46/70/906384670.db2.gz OGEOBNMFEXKEEM-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001418519820 906384683 /nfs/dbraw/zinc/38/46/83/906384683.db2.gz OGEOBNMFEXKEEM-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418519820 906384703 /nfs/dbraw/zinc/38/47/03/906384703.db2.gz OGEOBNMFEXKEEM-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C[C@@H](C)O)C1 ZINC001418524410 906389695 /nfs/dbraw/zinc/38/96/95/906389695.db2.gz KPCLLZBVQANNSR-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C[C@@H](C)O)C1 ZINC001418524410 906389706 /nfs/dbraw/zinc/38/97/06/906389706.db2.gz KPCLLZBVQANNSR-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)C[C@@H](C)O)C1 ZINC001418524410 906389712 /nfs/dbraw/zinc/38/97/12/906389712.db2.gz KPCLLZBVQANNSR-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)C[C@@H](C)O)C1 ZINC001418524410 906389723 /nfs/dbraw/zinc/38/97/23/906389723.db2.gz KPCLLZBVQANNSR-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001418577220 906415288 /nfs/dbraw/zinc/41/52/88/906415288.db2.gz YLDZXHVUMYVANM-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001418577220 906415300 /nfs/dbraw/zinc/41/53/00/906415300.db2.gz YLDZXHVUMYVANM-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001418577220 906415306 /nfs/dbraw/zinc/41/53/06/906415306.db2.gz YLDZXHVUMYVANM-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418577220 906415310 /nfs/dbraw/zinc/41/53/10/906415310.db2.gz YLDZXHVUMYVANM-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001418590859 906420379 /nfs/dbraw/zinc/42/03/79/906420379.db2.gz AMZFPMWCFQSXFP-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001418635527 906434357 /nfs/dbraw/zinc/43/43/57/906434357.db2.gz BNCCGZYMYNEPAM-CYBMUJFWSA-N 2 1 296.415 -0.072 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001418635527 906434362 /nfs/dbraw/zinc/43/43/62/906434362.db2.gz BNCCGZYMYNEPAM-CYBMUJFWSA-N 2 1 296.415 -0.072 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001418638099 906434441 /nfs/dbraw/zinc/43/44/41/906434441.db2.gz NCBSPJILEILXII-TZMCWYRMSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001418638099 906434449 /nfs/dbraw/zinc/43/44/49/906434449.db2.gz NCBSPJILEILXII-TZMCWYRMSA-N 2 1 298.431 -0.101 20 0 CBADMP NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001418635532 906434684 /nfs/dbraw/zinc/43/46/84/906434684.db2.gz BNCCGZYMYNEPAM-ZDUSSCGKSA-N 2 1 296.415 -0.072 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001418635532 906434696 /nfs/dbraw/zinc/43/46/96/906434696.db2.gz BNCCGZYMYNEPAM-ZDUSSCGKSA-N 2 1 296.415 -0.072 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418674531 906443910 /nfs/dbraw/zinc/44/39/10/906443910.db2.gz NBECXNFZYCJEBL-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001418692126 906449461 /nfs/dbraw/zinc/44/94/61/906449461.db2.gz RNCDNGRZMSAGOT-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001418692126 906449470 /nfs/dbraw/zinc/44/94/70/906449470.db2.gz RNCDNGRZMSAGOT-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001418692126 906449478 /nfs/dbraw/zinc/44/94/78/906449478.db2.gz RNCDNGRZMSAGOT-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001418694427 906449658 /nfs/dbraw/zinc/44/96/58/906449658.db2.gz VNSKYSWLXBAEGO-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001418694427 906449667 /nfs/dbraw/zinc/44/96/67/906449667.db2.gz VNSKYSWLXBAEGO-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001418694427 906449676 /nfs/dbraw/zinc/44/96/76/906449676.db2.gz VNSKYSWLXBAEGO-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001418692121 906451091 /nfs/dbraw/zinc/45/10/91/906451091.db2.gz RNCDNGRZMSAGOT-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001418692121 906451100 /nfs/dbraw/zinc/45/11/00/906451100.db2.gz RNCDNGRZMSAGOT-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001418692121 906451112 /nfs/dbraw/zinc/45/11/12/906451112.db2.gz RNCDNGRZMSAGOT-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001418704564 906455416 /nfs/dbraw/zinc/45/54/16/906455416.db2.gz CMTUPHCMXPKOPS-JHJVBQTASA-N 2 1 296.415 -0.299 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC(N)=O ZINC001418753276 906464103 /nfs/dbraw/zinc/46/41/03/906464103.db2.gz AZFYKJOLVXYHJJ-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC(N)=O ZINC001418753276 906464116 /nfs/dbraw/zinc/46/41/16/906464116.db2.gz AZFYKJOLVXYHJJ-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001418783905 906476188 /nfs/dbraw/zinc/47/61/88/906476188.db2.gz WDNHCGYMQGNTDF-NWDGAFQWSA-N 2 1 293.371 -0.449 20 0 CBADMP O=C(CC[NH+]1CC[C@@H](F)C1)NCC[N@@H+]1CC[C@H](O)C1 ZINC001418809660 906479045 /nfs/dbraw/zinc/47/90/45/906479045.db2.gz VLAQVOZXVUUVTA-NEPJUHHUSA-N 2 1 273.352 -0.397 20 0 CBADMP O=C(CC[N@@H+]1CC[C@@H](F)C1)NCC[NH+]1CC[C@H](O)C1 ZINC001418809660 906479055 /nfs/dbraw/zinc/47/90/55/906479055.db2.gz VLAQVOZXVUUVTA-NEPJUHHUSA-N 2 1 273.352 -0.397 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H](F)C1)NCC[NH+]1CC[C@H](O)C1 ZINC001418809660 906479071 /nfs/dbraw/zinc/47/90/71/906479071.db2.gz VLAQVOZXVUUVTA-NEPJUHHUSA-N 2 1 273.352 -0.397 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001418809769 906481744 /nfs/dbraw/zinc/48/17/44/906481744.db2.gz GNJFQTPRNJUSJR-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001418809769 906481759 /nfs/dbraw/zinc/48/17/59/906481759.db2.gz GNJFQTPRNJUSJR-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001418817100 906485316 /nfs/dbraw/zinc/48/53/16/906485316.db2.gz QZAZVZKHTNVGCC-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001418821635 906488265 /nfs/dbraw/zinc/48/82/65/906488265.db2.gz RRVFYNKIJIUALT-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001418821802 906491718 /nfs/dbraw/zinc/49/17/18/906491718.db2.gz MAUJPKFBIKCNCE-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001418908251 906508137 /nfs/dbraw/zinc/50/81/37/906508137.db2.gz RXMLEKUHYUIUTJ-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001418908251 906508146 /nfs/dbraw/zinc/50/81/46/906508146.db2.gz RXMLEKUHYUIUTJ-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001418908251 906508165 /nfs/dbraw/zinc/50/81/65/906508165.db2.gz RXMLEKUHYUIUTJ-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418906690 906512023 /nfs/dbraw/zinc/51/20/23/906512023.db2.gz VSSMLDDIYFEEDY-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001419022782 906565879 /nfs/dbraw/zinc/56/58/79/906565879.db2.gz OBBAIQANEFSOFK-AWEZNQCLSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[C@@H](C(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001419034382 906570785 /nfs/dbraw/zinc/57/07/85/906570785.db2.gz ADCQTVHIFMCUSC-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](CC)C(N)=O)C1)[NH+](C)C ZINC001419062396 906583302 /nfs/dbraw/zinc/58/33/02/906583302.db2.gz GUWXGNXPPHKEIW-SRVKXCTJSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+]([C@@H](CC)C(N)=O)C1)[NH+](C)C ZINC001419062396 906583315 /nfs/dbraw/zinc/58/33/15/906583315.db2.gz GUWXGNXPPHKEIW-SRVKXCTJSA-N 2 1 284.404 -0.219 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001419093586 906597714 /nfs/dbraw/zinc/59/77/14/906597714.db2.gz AAULJXBBWQBADX-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001419093586 906597720 /nfs/dbraw/zinc/59/77/20/906597720.db2.gz AAULJXBBWQBADX-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001419093586 906597725 /nfs/dbraw/zinc/59/77/25/906597725.db2.gz AAULJXBBWQBADX-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001419093586 906597730 /nfs/dbraw/zinc/59/77/30/906597730.db2.gz AAULJXBBWQBADX-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001419189087 906633034 /nfs/dbraw/zinc/63/30/34/906633034.db2.gz JWEBSWMEDYXYFS-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001419189087 906633046 /nfs/dbraw/zinc/63/30/46/906633046.db2.gz JWEBSWMEDYXYFS-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001419189087 906633054 /nfs/dbraw/zinc/63/30/54/906633054.db2.gz JWEBSWMEDYXYFS-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001419189087 906633061 /nfs/dbraw/zinc/63/30/61/906633061.db2.gz JWEBSWMEDYXYFS-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+][C@@H](C)C(N)=O ZINC001419465068 906696014 /nfs/dbraw/zinc/69/60/14/906696014.db2.gz DDYZTOGIXOMTFM-MNOVXSKESA-N 2 1 284.404 -0.314 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001419516834 906713447 /nfs/dbraw/zinc/71/34/47/906713447.db2.gz WLTADIXUFQGGIT-QWHCGFSZSA-N 2 1 298.431 -0.194 20 0 CBADMP CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001419544229 906716571 /nfs/dbraw/zinc/71/65/71/906716571.db2.gz LKUMTANRABHTMH-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001419537530 906718099 /nfs/dbraw/zinc/71/80/99/906718099.db2.gz DUXBXNUAOCKDCM-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CC(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001419560190 906726570 /nfs/dbraw/zinc/72/65/70/906726570.db2.gz HCJQVBUHAVNBKB-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419572642 906732398 /nfs/dbraw/zinc/73/23/98/906732398.db2.gz XDKUOQRXDNRYNO-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419572642 906732407 /nfs/dbraw/zinc/73/24/07/906732407.db2.gz XDKUOQRXDNRYNO-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001419575901 906733123 /nfs/dbraw/zinc/73/31/23/906733123.db2.gz YAXHANWOPHGNRK-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419572630 906733762 /nfs/dbraw/zinc/73/37/62/906733762.db2.gz XDKUOQRXDNRYNO-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419572630 906733780 /nfs/dbraw/zinc/73/37/80/906733780.db2.gz XDKUOQRXDNRYNO-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001419740917 906798866 /nfs/dbraw/zinc/79/88/66/906798866.db2.gz NNXFKUKNHAULNM-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001419766016 906806975 /nfs/dbraw/zinc/80/69/75/906806975.db2.gz MQWDPUZCDUKARN-MNOVXSKESA-N 2 1 272.393 -0.363 20 0 CBADMP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001419766593 906807482 /nfs/dbraw/zinc/80/74/82/906807482.db2.gz DWBURKLLZCHYQW-WDEREUQCSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001419778410 906811480 /nfs/dbraw/zinc/81/14/80/906811480.db2.gz PXRQAOKKQIPSBR-WCQYABFASA-N 2 1 296.415 -0.156 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001419787498 906814694 /nfs/dbraw/zinc/81/46/94/906814694.db2.gz HFNQDRINUFAYQK-ONGXEEELSA-N 2 1 281.360 -0.580 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001419825569 906824032 /nfs/dbraw/zinc/82/40/32/906824032.db2.gz QEVVEAFESFWOMG-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001419848457 906833125 /nfs/dbraw/zinc/83/31/25/906833125.db2.gz JAXOEUWGHUBNKT-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001419994521 906889917 /nfs/dbraw/zinc/88/99/17/906889917.db2.gz NIICPZPTCXGTQJ-NSHDSACASA-N 2 1 279.344 -0.885 20 0 CBADMP CCC[N@H+](C)CCC(=O)N(C)CC[NH+](C)[C@@H]1CCNC1=O ZINC001420039606 906904339 /nfs/dbraw/zinc/90/43/39/906904339.db2.gz PBKMCHSJRRFEQM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)[C@@H]1CCNC1=O ZINC001420039606 906904351 /nfs/dbraw/zinc/90/43/51/906904351.db2.gz PBKMCHSJRRFEQM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O ZINC001420039606 906904359 /nfs/dbraw/zinc/90/43/59/906904359.db2.gz PBKMCHSJRRFEQM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC001420039606 906904368 /nfs/dbraw/zinc/90/43/68/906904368.db2.gz PBKMCHSJRRFEQM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001420049731 906911750 /nfs/dbraw/zinc/91/17/50/906911750.db2.gz KWFDGDJAULMPFB-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001420049731 906911757 /nfs/dbraw/zinc/91/17/57/906911757.db2.gz KWFDGDJAULMPFB-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccns1 ZINC001420090519 906928438 /nfs/dbraw/zinc/92/84/38/906928438.db2.gz AJLUQOAUYOJHTB-PWSUYJOCSA-N 2 1 298.412 -0.196 20 0 CBADMP Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001420119038 906952882 /nfs/dbraw/zinc/95/28/82/906952882.db2.gz ZKYRBNKNYHBIIP-STQMWFEESA-N 2 1 295.387 -0.919 20 0 CBADMP Cc1conc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001420117748 906953272 /nfs/dbraw/zinc/95/32/72/906953272.db2.gz XWWHDGAZSORBAR-AAEUAGOBSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1conc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001420117748 906953283 /nfs/dbraw/zinc/95/32/83/906953283.db2.gz XWWHDGAZSORBAR-AAEUAGOBSA-N 2 1 296.371 -0.356 20 0 CBADMP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1nnn(C)n1 ZINC001420125131 906955877 /nfs/dbraw/zinc/95/58/77/906955877.db2.gz NIGJDCGQIBQWIN-JTQLQIEISA-N 2 1 283.380 -0.854 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001420161610 906978065 /nfs/dbraw/zinc/97/80/65/906978065.db2.gz COMJJKMPPBNISA-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccns2)C1 ZINC001420187516 906999337 /nfs/dbraw/zinc/99/93/37/906999337.db2.gz FQUXOWIMQRZTHO-GHMZBOCLSA-N 2 1 298.412 -0.339 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001420244497 907045811 /nfs/dbraw/zinc/04/58/11/907045811.db2.gz OHXYMBORGVPCFT-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001420244497 907045821 /nfs/dbraw/zinc/04/58/21/907045821.db2.gz OHXYMBORGVPCFT-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001420244497 907045832 /nfs/dbraw/zinc/04/58/32/907045832.db2.gz OHXYMBORGVPCFT-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001420244497 907045843 /nfs/dbraw/zinc/04/58/43/907045843.db2.gz OHXYMBORGVPCFT-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001420308844 907094325 /nfs/dbraw/zinc/09/43/25/907094325.db2.gz GQNGVZFRXYWQNT-NEPJUHHUSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001420308844 907094341 /nfs/dbraw/zinc/09/43/41/907094341.db2.gz GQNGVZFRXYWQNT-NEPJUHHUSA-N 2 1 294.403 -0.106 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001420347407 907113251 /nfs/dbraw/zinc/11/32/51/907113251.db2.gz ZMWSNFBDYDOFKV-LLVKDONJSA-N 2 1 286.420 -0.195 20 0 CBADMP CCCNC(=O)CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420345359 907115197 /nfs/dbraw/zinc/11/51/97/907115197.db2.gz MARINDFSDIOQKE-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)[C@H](C)C(=O)N(C)C ZINC001420356335 907118796 /nfs/dbraw/zinc/11/87/96/907118796.db2.gz GEVRGYPMSKHGHK-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)[C@H](C)C(=O)N(C)C ZINC001420356335 907118808 /nfs/dbraw/zinc/11/88/08/907118808.db2.gz GEVRGYPMSKHGHK-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001420356335 907118827 /nfs/dbraw/zinc/11/88/27/907118827.db2.gz GEVRGYPMSKHGHK-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001420356335 907118837 /nfs/dbraw/zinc/11/88/37/907118837.db2.gz GEVRGYPMSKHGHK-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001420371434 907122503 /nfs/dbraw/zinc/12/25/03/907122503.db2.gz PGIVNUXXWWETEQ-GHMZBOCLSA-N 2 1 295.387 -0.237 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420372279 907122527 /nfs/dbraw/zinc/12/25/27/907122527.db2.gz QBRLNEREWCMRSR-WOPDTQHZSA-N 2 1 273.377 -0.960 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001420360266 907124920 /nfs/dbraw/zinc/12/49/20/907124920.db2.gz OPHAVJXSSABFCC-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001420360266 907124927 /nfs/dbraw/zinc/12/49/27/907124927.db2.gz OPHAVJXSSABFCC-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CC(=O)NC)CC[N@@H+]1C ZINC001420386109 907133368 /nfs/dbraw/zinc/13/33/68/907133368.db2.gz GJQXZSVIHMNOTE-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CC(=O)NC)CC[N@H+]1C ZINC001420386109 907133377 /nfs/dbraw/zinc/13/33/77/907133377.db2.gz GJQXZSVIHMNOTE-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](CC)CC(=O)NC)CC[NH+]1C ZINC001420386109 907133382 /nfs/dbraw/zinc/13/33/82/907133382.db2.gz GJQXZSVIHMNOTE-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](CC)CC(=O)NC)CC[NH+]1C ZINC001420386109 907133389 /nfs/dbraw/zinc/13/33/89/907133389.db2.gz GJQXZSVIHMNOTE-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](CC)CC(=O)N(C)C)[NH+](C)C ZINC001420392581 907137262 /nfs/dbraw/zinc/13/72/62/907137262.db2.gz AYPMSVZVUJVJLJ-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](CC)CC(=O)N(C)C)[NH+](C)C ZINC001420392581 907137272 /nfs/dbraw/zinc/13/72/72/907137272.db2.gz AYPMSVZVUJVJLJ-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001420514184 907191616 /nfs/dbraw/zinc/19/16/16/907191616.db2.gz CWQHAZGOBGRJMH-NSHDSACASA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001420514184 907191627 /nfs/dbraw/zinc/19/16/27/907191627.db2.gz CWQHAZGOBGRJMH-NSHDSACASA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420535074 907196211 /nfs/dbraw/zinc/19/62/11/907196211.db2.gz DWUBUDKPXCEWDI-VXGBXAGGSA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001420535074 907196223 /nfs/dbraw/zinc/19/62/23/907196223.db2.gz DWUBUDKPXCEWDI-VXGBXAGGSA-N 2 1 282.388 -0.748 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001420535074 907196236 /nfs/dbraw/zinc/19/62/36/907196236.db2.gz DWUBUDKPXCEWDI-VXGBXAGGSA-N 2 1 282.388 -0.748 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001420537465 907203333 /nfs/dbraw/zinc/20/33/33/907203333.db2.gz NBECXNFZYCJEBL-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP COCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001420562161 907208309 /nfs/dbraw/zinc/20/83/09/907208309.db2.gz PTGXSXVSPRGTGW-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001420562161 907208326 /nfs/dbraw/zinc/20/83/26/907208326.db2.gz PTGXSXVSPRGTGW-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001420562161 907208347 /nfs/dbraw/zinc/20/83/47/907208347.db2.gz PTGXSXVSPRGTGW-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001420562161 907208362 /nfs/dbraw/zinc/20/83/62/907208362.db2.gz PTGXSXVSPRGTGW-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420571873 907216212 /nfs/dbraw/zinc/21/62/12/907216212.db2.gz ZPQJZJREENETPO-NWDGAFQWSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001420571873 907216234 /nfs/dbraw/zinc/21/62/34/907216234.db2.gz ZPQJZJREENETPO-NWDGAFQWSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001420571873 907216250 /nfs/dbraw/zinc/21/62/50/907216250.db2.gz ZPQJZJREENETPO-NWDGAFQWSA-N 2 1 282.388 -0.748 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420614491 907239602 /nfs/dbraw/zinc/23/96/02/907239602.db2.gz QOQUOYDWIZRGJY-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420614491 907239625 /nfs/dbraw/zinc/23/96/25/907239625.db2.gz QOQUOYDWIZRGJY-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)CCC[NH+](C)C ZINC001420614995 907240260 /nfs/dbraw/zinc/24/02/60/907240260.db2.gz RACAAVWXHUJDCD-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)CCC[NH+](C)C ZINC001420614995 907240280 /nfs/dbraw/zinc/24/02/80/907240280.db2.gz RACAAVWXHUJDCD-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001420655050 907258388 /nfs/dbraw/zinc/25/83/88/907258388.db2.gz AGZBWSALAKFXSQ-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001420655050 907258405 /nfs/dbraw/zinc/25/84/05/907258405.db2.gz AGZBWSALAKFXSQ-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420655050 907258419 /nfs/dbraw/zinc/25/84/19/907258419.db2.gz AGZBWSALAKFXSQ-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420655050 907258430 /nfs/dbraw/zinc/25/84/30/907258430.db2.gz AGZBWSALAKFXSQ-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001420655049 907260796 /nfs/dbraw/zinc/26/07/96/907260796.db2.gz AGZBWSALAKFXSQ-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001420655049 907260809 /nfs/dbraw/zinc/26/08/09/907260809.db2.gz AGZBWSALAKFXSQ-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420655049 907260825 /nfs/dbraw/zinc/26/08/25/907260825.db2.gz AGZBWSALAKFXSQ-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420655049 907260838 /nfs/dbraw/zinc/26/08/38/907260838.db2.gz AGZBWSALAKFXSQ-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420882658 907333536 /nfs/dbraw/zinc/33/35/36/907333536.db2.gz BZCKRIAQQIDTPA-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCC[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001420882658 907333558 /nfs/dbraw/zinc/33/35/58/907333558.db2.gz BZCKRIAQQIDTPA-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001420882658 907333578 /nfs/dbraw/zinc/33/35/78/907333578.db2.gz BZCKRIAQQIDTPA-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001421097037 907426572 /nfs/dbraw/zinc/42/65/72/907426572.db2.gz AATIGKJFBOQUSY-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001421117090 907433336 /nfs/dbraw/zinc/43/33/36/907433336.db2.gz OSAQBBTZQYFXEY-RYUDHWBXSA-N 2 1 293.371 -0.354 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001421194374 907458910 /nfs/dbraw/zinc/45/89/10/907458910.db2.gz SYPJTQZQXWUETM-ZDUSSCGKSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001421194374 907458921 /nfs/dbraw/zinc/45/89/21/907458921.db2.gz SYPJTQZQXWUETM-ZDUSSCGKSA-N 2 1 296.415 -0.347 20 0 CBADMP CN(C(=O)CC[NH+]1CCOCC1)[C@@H]1CC[N@H+](CCO)C1 ZINC001421310406 907487809 /nfs/dbraw/zinc/48/78/09/907487809.db2.gz DQLMBGDTVLVCPC-CYBMUJFWSA-N 2 1 285.388 -0.766 20 0 CBADMP CN(C(=O)CC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001421310406 907487821 /nfs/dbraw/zinc/48/78/21/907487821.db2.gz DQLMBGDTVLVCPC-CYBMUJFWSA-N 2 1 285.388 -0.766 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001421517527 907572959 /nfs/dbraw/zinc/57/29/59/907572959.db2.gz AMTZHGFMZINESS-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001421529751 907574725 /nfs/dbraw/zinc/57/47/25/907574725.db2.gz NOMBIQKWWAGXDB-NEPJUHHUSA-N 2 1 293.371 -0.497 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001421548772 907578796 /nfs/dbraw/zinc/57/87/96/907578796.db2.gz DNGHQVMQZOXXDM-STQMWFEESA-N 2 1 298.431 -0.242 20 0 CBADMP CNC(=O)C[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001421571914 907581211 /nfs/dbraw/zinc/58/12/11/907581211.db2.gz QOEDLCQTNOYRMW-HNNXBMFYSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001421698450 907618694 /nfs/dbraw/zinc/61/86/94/907618694.db2.gz HJJIXUMVEMTQOJ-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001421751045 907632251 /nfs/dbraw/zinc/63/22/51/907632251.db2.gz SYLZUPSOQGLYTL-LBPRGKRZSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nncn1C ZINC001421765367 907635258 /nfs/dbraw/zinc/63/52/58/907635258.db2.gz FTJGXBRKWMAPJV-NEPJUHHUSA-N 2 1 294.403 -0.391 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nncn1C ZINC001421765371 907637982 /nfs/dbraw/zinc/63/79/82/907637982.db2.gz FTJGXBRKWMAPJV-NWDGAFQWSA-N 2 1 294.403 -0.391 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cnon1 ZINC001421770471 907641514 /nfs/dbraw/zinc/64/15/14/907641514.db2.gz OGUGXKPHEXERDD-MNOVXSKESA-N 2 1 281.360 -0.137 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001421829530 907656170 /nfs/dbraw/zinc/65/61/70/907656170.db2.gz MMUCQWDKFKGEBA-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC001421829528 907658563 /nfs/dbraw/zinc/65/85/63/907658563.db2.gz MMUCQWDKFKGEBA-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001421920688 907683484 /nfs/dbraw/zinc/68/34/84/907683484.db2.gz APROOJUNGZTSGC-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001422012540 907703884 /nfs/dbraw/zinc/70/38/84/907703884.db2.gz GYINKBMXPVUEFR-OLZOCXBDSA-N 2 1 298.431 -0.066 20 0 CBADMP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001422012538 907703909 /nfs/dbraw/zinc/70/39/09/907703909.db2.gz GYINKBMXPVUEFR-CHWSQXEVSA-N 2 1 298.431 -0.066 20 0 CBADMP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001422111516 907722068 /nfs/dbraw/zinc/72/20/68/907722068.db2.gz XOSXMDZWSCYPMH-VXGBXAGGSA-N 2 1 284.404 -0.456 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)N(C)C ZINC001422128022 907722515 /nfs/dbraw/zinc/72/25/15/907722515.db2.gz OFBMZQSHEGWKAS-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[NH+]1C ZINC001422182800 907736757 /nfs/dbraw/zinc/73/67/57/907736757.db2.gz OHVMDALETHYHOS-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[NH+]1C ZINC001422182800 907736767 /nfs/dbraw/zinc/73/67/67/907736767.db2.gz OHVMDALETHYHOS-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001422182800 907736776 /nfs/dbraw/zinc/73/67/76/907736776.db2.gz OHVMDALETHYHOS-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001422182800 907736784 /nfs/dbraw/zinc/73/67/84/907736784.db2.gz OHVMDALETHYHOS-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001422258661 907761954 /nfs/dbraw/zinc/76/19/54/907761954.db2.gz DLRPMAKWBZLOSN-IFWUJCSASA-N 2 1 296.415 -0.314 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1)C1CCC1 ZINC001422321125 907797598 /nfs/dbraw/zinc/79/75/98/907797598.db2.gz WPXRQGYGTOBIMD-OCCSQVGLSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001422395362 907842291 /nfs/dbraw/zinc/84/22/91/907842291.db2.gz WBXUKLPGQUWJDS-GHMZBOCLSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@H](C)[NH2+]CCO ZINC001422405813 907844342 /nfs/dbraw/zinc/84/43/42/907844342.db2.gz YWDZPKKEDSRVGC-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@@H]([NH2+]CCO)[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001422405810 907845065 /nfs/dbraw/zinc/84/50/65/907845065.db2.gz YWDZPKKEDSRVGC-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@H](C)[NH2+]CCO ZINC001422405812 907845553 /nfs/dbraw/zinc/84/55/53/907845553.db2.gz YWDZPKKEDSRVGC-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001422454371 907867570 /nfs/dbraw/zinc/86/75/70/907867570.db2.gz YXNYFRNIZHEXRT-ZYHUDNBSSA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)[N@@H+](C)CCO ZINC001422503845 907896254 /nfs/dbraw/zinc/89/62/54/907896254.db2.gz BFRMUVJKJXNJCB-GFCCVEGCSA-N 2 1 297.403 -0.513 20 0 CBADMP COC[C@H](O)C[N@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001422534209 907910725 /nfs/dbraw/zinc/91/07/25/907910725.db2.gz BYHZMDZCXWABPE-DGCLKSJQSA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001422534209 907910733 /nfs/dbraw/zinc/91/07/33/907910733.db2.gz BYHZMDZCXWABPE-DGCLKSJQSA-N 2 1 298.387 -0.365 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001422541024 907914144 /nfs/dbraw/zinc/91/41/44/907914144.db2.gz HQCBFDVCFJJBBS-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001422549400 907919556 /nfs/dbraw/zinc/91/95/56/907919556.db2.gz KRPJQPFQTLNMLS-VOAKCMCISA-N 2 1 298.431 -0.055 20 0 CBADMP COC[C@H](O)C[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001422607898 907941955 /nfs/dbraw/zinc/94/19/55/907941955.db2.gz XTNIRVDFKIGGAL-DGCLKSJQSA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001422607898 907941966 /nfs/dbraw/zinc/94/19/66/907941966.db2.gz XTNIRVDFKIGGAL-DGCLKSJQSA-N 2 1 298.387 -0.365 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001422632025 907955486 /nfs/dbraw/zinc/95/54/86/907955486.db2.gz NUYMAIBJMHGQPD-QWRGUYRKSA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001422662525 907970947 /nfs/dbraw/zinc/97/09/47/907970947.db2.gz UESSBNXBDYNNAD-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](NC(=O)CCC[NH+](C)C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001422735887 907988663 /nfs/dbraw/zinc/98/86/63/907988663.db2.gz UDZGPBKZAOMXHC-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP COCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001502600559 921371473 /nfs/dbraw/zinc/37/14/73/921371473.db2.gz XJHZXCWGOGHEFB-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001422882693 908042579 /nfs/dbraw/zinc/04/25/79/908042579.db2.gz ZTAKVVGZGRYXCA-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001422882693 908042594 /nfs/dbraw/zinc/04/25/94/908042594.db2.gz ZTAKVVGZGRYXCA-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001422882693 908042604 /nfs/dbraw/zinc/04/26/04/908042604.db2.gz ZTAKVVGZGRYXCA-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001422882693 908042619 /nfs/dbraw/zinc/04/26/19/908042619.db2.gz ZTAKVVGZGRYXCA-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001422872578 908042805 /nfs/dbraw/zinc/04/28/05/908042805.db2.gz AORHFPQZDMQSOL-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001422872578 908042815 /nfs/dbraw/zinc/04/28/15/908042815.db2.gz AORHFPQZDMQSOL-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001422872578 908042828 /nfs/dbraw/zinc/04/28/28/908042828.db2.gz AORHFPQZDMQSOL-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001422872578 908042840 /nfs/dbraw/zinc/04/28/40/908042840.db2.gz AORHFPQZDMQSOL-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001422872594 908044074 /nfs/dbraw/zinc/04/40/74/908044074.db2.gz AORHFPQZDMQSOL-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001422872594 908044087 /nfs/dbraw/zinc/04/40/87/908044087.db2.gz AORHFPQZDMQSOL-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001422872594 908044103 /nfs/dbraw/zinc/04/41/03/908044103.db2.gz AORHFPQZDMQSOL-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001422872594 908044116 /nfs/dbraw/zinc/04/41/16/908044116.db2.gz AORHFPQZDMQSOL-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001422883765 908045683 /nfs/dbraw/zinc/04/56/83/908045683.db2.gz IEXDZNNSUIKFBN-QWRGUYRKSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001422883765 908045693 /nfs/dbraw/zinc/04/56/93/908045693.db2.gz IEXDZNNSUIKFBN-QWRGUYRKSA-N 2 1 284.404 -0.362 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001422889948 908046655 /nfs/dbraw/zinc/04/66/55/908046655.db2.gz KYXUTOSLOJWWES-XUXIUFHCSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+](C)CCCO)C1 ZINC001422919359 908055820 /nfs/dbraw/zinc/05/58/20/908055820.db2.gz BRYZTMVQXFUDQY-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+](C)CCCO)C1 ZINC001422919359 908055830 /nfs/dbraw/zinc/05/58/30/908055830.db2.gz BRYZTMVQXFUDQY-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCO)C1 ZINC001422919359 908055837 /nfs/dbraw/zinc/05/58/37/908055837.db2.gz BRYZTMVQXFUDQY-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCO)C1 ZINC001422919359 908055847 /nfs/dbraw/zinc/05/58/47/908055847.db2.gz BRYZTMVQXFUDQY-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001423046371 908090942 /nfs/dbraw/zinc/09/09/42/908090942.db2.gz ADWKYPHCWKPPRO-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001423068086 908099485 /nfs/dbraw/zinc/09/94/85/908099485.db2.gz YIXZSAYXTHVZSL-LLVKDONJSA-N 2 1 270.377 -0.704 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001423171888 908123940 /nfs/dbraw/zinc/12/39/40/908123940.db2.gz VKPBCOCDXANVJT-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccns1 ZINC001423186703 908136747 /nfs/dbraw/zinc/13/67/47/908136747.db2.gz BDFQASMUXJJSBA-JQWIXIFHSA-N 2 1 298.412 -0.196 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccns1 ZINC001423186703 908136753 /nfs/dbraw/zinc/13/67/53/908136753.db2.gz BDFQASMUXJJSBA-JQWIXIFHSA-N 2 1 298.412 -0.196 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC001502738181 921387277 /nfs/dbraw/zinc/38/72/77/921387277.db2.gz KADHYYHXJRIFDO-YPMHNXCESA-N 2 1 294.403 -0.297 20 0 CBADMP C[NH+](C)[C@@H](C(=O)NC[C@H](CO)[NH2+]CCO)c1ccccc1 ZINC001423299809 908195280 /nfs/dbraw/zinc/19/52/80/908195280.db2.gz JSYDAGUXNHDNPR-ZIAGYGMSSA-N 2 1 295.383 -0.652 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001423307725 908198169 /nfs/dbraw/zinc/19/81/69/908198169.db2.gz QTZGONKBPYIOIH-UONOGXRCSA-N 2 1 299.415 -0.569 20 0 CBADMP CO[C@H](C)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001423304620 908198287 /nfs/dbraw/zinc/19/82/87/908198287.db2.gz QEDIIPFYPMYPJJ-ZYHUDNBSSA-N 2 1 284.360 -0.707 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CC(N)=O)C2 ZINC001423356579 908211390 /nfs/dbraw/zinc/21/13/90/908211390.db2.gz ZQNOSQZULZWGDQ-OAHLLOKOSA-N 2 1 296.415 -0.262 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC001423356579 908211402 /nfs/dbraw/zinc/21/14/02/908211402.db2.gz ZQNOSQZULZWGDQ-OAHLLOKOSA-N 2 1 296.415 -0.262 20 0 CBADMP CC[NH+]1CCC(C[NH2+]Cc2nnc3n2CCNC3=O)CC1 ZINC001423381196 908214930 /nfs/dbraw/zinc/21/49/30/908214930.db2.gz ASHMEEXYYAOMNY-UHFFFAOYSA-N 2 1 292.387 -0.157 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001502788211 921392378 /nfs/dbraw/zinc/39/23/78/921392378.db2.gz PNKNKFKPSVLZBM-UHFFFAOYSA-N 2 1 293.371 -0.352 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001423589519 908291487 /nfs/dbraw/zinc/29/14/87/908291487.db2.gz UFGAYCWFJUFHFY-RISCZKNCSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]CCO)CC2)CC[N@H+]1C ZINC001502870204 921400412 /nfs/dbraw/zinc/40/04/12/921400412.db2.gz HDIQLAUKERRXKG-CHWSQXEVSA-N 2 1 299.415 -0.738 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001423910642 908369281 /nfs/dbraw/zinc/36/92/81/908369281.db2.gz KUWDVGSGRROKNE-ZDUSSCGKSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001423910642 908369297 /nfs/dbraw/zinc/36/92/97/908369297.db2.gz KUWDVGSGRROKNE-ZDUSSCGKSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001424039455 908397431 /nfs/dbraw/zinc/39/74/31/908397431.db2.gz KGORQSPECHQSRS-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001424039455 908397444 /nfs/dbraw/zinc/39/74/44/908397444.db2.gz KGORQSPECHQSRS-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@H](C)O)CCC2)C1 ZINC001424212909 908422285 /nfs/dbraw/zinc/42/22/85/908422285.db2.gz GPNFSMLICAZXEL-STQMWFEESA-N 2 1 299.415 -0.284 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@H](C)O)CCC2)C1 ZINC001424212909 908422293 /nfs/dbraw/zinc/42/22/93/908422293.db2.gz GPNFSMLICAZXEL-STQMWFEESA-N 2 1 299.415 -0.284 20 0 CBADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001424218056 908426114 /nfs/dbraw/zinc/42/61/14/908426114.db2.gz QJFJXUHMSBMRHB-STQMWFEESA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001424269322 908437069 /nfs/dbraw/zinc/43/70/69/908437069.db2.gz SEGCEEBOWMBWCC-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001424297408 908440350 /nfs/dbraw/zinc/44/03/50/908440350.db2.gz QILPWFIVFHLZBE-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001424409677 908456850 /nfs/dbraw/zinc/45/68/50/908456850.db2.gz QUSSBOPRPVFDFT-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001424409677 908456857 /nfs/dbraw/zinc/45/68/57/908456857.db2.gz QUSSBOPRPVFDFT-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CN(C)C(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001424714794 908491248 /nfs/dbraw/zinc/49/12/48/908491248.db2.gz FSLIKDAAAFYLGC-BPCQOVAHSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001425009131 908546997 /nfs/dbraw/zinc/54/69/97/908546997.db2.gz ZQWKAISWJBDSCD-WDEREUQCSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001425009131 908547002 /nfs/dbraw/zinc/54/70/02/908547002.db2.gz ZQWKAISWJBDSCD-WDEREUQCSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001425009443 908552384 /nfs/dbraw/zinc/55/23/84/908552384.db2.gz JZXCSWIPCZCALF-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001425056148 908563084 /nfs/dbraw/zinc/56/30/84/908563084.db2.gz LJVYHACRPJJPLZ-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001425062847 908565089 /nfs/dbraw/zinc/56/50/89/908565089.db2.gz COIYKTVZJGQNLF-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CC(N)=O ZINC001425068064 908567770 /nfs/dbraw/zinc/56/77/70/908567770.db2.gz ZQDPIVMYEDEFNB-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC(N)=O ZINC001425068064 908567782 /nfs/dbraw/zinc/56/77/82/908567782.db2.gz ZQDPIVMYEDEFNB-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@H+](C)CC(N)=O ZINC001425068064 908567797 /nfs/dbraw/zinc/56/77/97/908567797.db2.gz ZQDPIVMYEDEFNB-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC(N)=O ZINC001425068064 908567803 /nfs/dbraw/zinc/56/78/03/908567803.db2.gz ZQDPIVMYEDEFNB-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+](C)CCO)C1 ZINC001425069801 908567989 /nfs/dbraw/zinc/56/79/89/908567989.db2.gz NZZAAHFUCTWRQE-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+](C)CCO)C1 ZINC001425069801 908568006 /nfs/dbraw/zinc/56/80/06/908568006.db2.gz NZZAAHFUCTWRQE-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCO)C1 ZINC001425069801 908568019 /nfs/dbraw/zinc/56/80/19/908568019.db2.gz NZZAAHFUCTWRQE-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCO)C1 ZINC001425069801 908568030 /nfs/dbraw/zinc/56/80/30/908568030.db2.gz NZZAAHFUCTWRQE-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP COC[C@H](O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001425246338 908591319 /nfs/dbraw/zinc/59/13/19/908591319.db2.gz UZARUBVOLWZEBD-IACUBPJLSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H](NC(=O)CCC[NH+](C)C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001425246991 908591907 /nfs/dbraw/zinc/59/19/07/908591907.db2.gz CURXBNHSTCHXJT-MNOVXSKESA-N 2 1 284.404 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC001425435236 908645198 /nfs/dbraw/zinc/64/51/98/908645198.db2.gz ZHKIEZYTELBNAM-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC001425435236 908645211 /nfs/dbraw/zinc/64/52/11/908645211.db2.gz ZHKIEZYTELBNAM-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC001425435236 908645220 /nfs/dbraw/zinc/64/52/20/908645220.db2.gz ZHKIEZYTELBNAM-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001425791016 908742237 /nfs/dbraw/zinc/74/22/37/908742237.db2.gz ZDGNMFJHALVXLW-CHWSQXEVSA-N 2 1 296.371 -0.705 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001425791017 908742623 /nfs/dbraw/zinc/74/26/23/908742623.db2.gz ZDGNMFJHALVXLW-OLZOCXBDSA-N 2 1 296.371 -0.705 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC2CC2)C1 ZINC001425842554 908762721 /nfs/dbraw/zinc/76/27/21/908762721.db2.gz QIKUEQMIWWEDBH-STQMWFEESA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC2CC2)C1 ZINC001425842554 908762732 /nfs/dbraw/zinc/76/27/32/908762732.db2.gz QIKUEQMIWWEDBH-STQMWFEESA-N 2 1 285.388 -0.816 20 0 CBADMP C[C@H]1C[C@H]([NH2+]Cc2ncnn2C)CN1C(=O)CC[NH+](C)C ZINC001425914702 908779937 /nfs/dbraw/zinc/77/99/37/908779937.db2.gz WNSMNMCAPZSXJZ-RYUDHWBXSA-N 2 1 294.403 -0.154 20 0 CBADMP CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001426234718 908852551 /nfs/dbraw/zinc/85/25/51/908852551.db2.gz NQZRTSCAPKXUHW-BPCQOVAHSA-N 2 1 296.415 -0.252 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001429194623 909212088 /nfs/dbraw/zinc/21/20/88/909212088.db2.gz OXAWBRLJSMCWTO-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001429194623 909212106 /nfs/dbraw/zinc/21/21/06/909212106.db2.gz OXAWBRLJSMCWTO-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001429194623 909212123 /nfs/dbraw/zinc/21/21/23/909212123.db2.gz OXAWBRLJSMCWTO-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001431867360 909546628 /nfs/dbraw/zinc/54/66/28/909546628.db2.gz JSRUGJFFWZAVFT-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H]1CCNC1=O ZINC001506065072 921535868 /nfs/dbraw/zinc/53/58/68/921535868.db2.gz IPAZYADSWGGIGG-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC001506065072 921535875 /nfs/dbraw/zinc/53/58/75/921535875.db2.gz IPAZYADSWGGIGG-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001506065072 921535883 /nfs/dbraw/zinc/53/58/83/921535883.db2.gz IPAZYADSWGGIGG-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP C[N@@H+](CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1)[C@@H]1CCC[C@H]1O ZINC001434383527 910143531 /nfs/dbraw/zinc/14/35/31/910143531.db2.gz GICZDEALPMBOMA-MRVWCRGKSA-N 2 1 297.399 -0.579 20 0 CBADMP O=C(CC[N@H+]1CC[C@H](F)C1)N1CC([NH2+]C2COC2)C1 ZINC001434399382 910155203 /nfs/dbraw/zinc/15/52/03/910155203.db2.gz IZLRDLNBUQIWCI-JTQLQIEISA-N 2 1 271.336 -0.381 20 0 CBADMP O=C(CC[N@@H+]1CC[C@H](F)C1)N1CC([NH2+]C2COC2)C1 ZINC001434399382 910155220 /nfs/dbraw/zinc/15/52/20/910155220.db2.gz IZLRDLNBUQIWCI-JTQLQIEISA-N 2 1 271.336 -0.381 20 0 CBADMP C[C@@H](O)[C@@H](O)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001434487030 910225866 /nfs/dbraw/zinc/22/58/66/910225866.db2.gz GZEJVLNQZZQOIO-RISCZKNCSA-N 2 1 272.389 -0.039 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001436358041 910434224 /nfs/dbraw/zinc/43/42/24/910434224.db2.gz MBMHNPVNCFMZLC-MELADBBJSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001436393313 910437138 /nfs/dbraw/zinc/43/71/38/910437138.db2.gz VWZCNIPBQATXFS-XYPYZODXSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001436431699 910442167 /nfs/dbraw/zinc/44/21/67/910442167.db2.gz LQNDYFVIBAWOPO-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001436940786 910513507 /nfs/dbraw/zinc/51/35/07/910513507.db2.gz AFKHKPPKVCBNPZ-XQQFMLRXSA-N 2 1 296.415 -0.156 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001436960445 910518863 /nfs/dbraw/zinc/51/88/63/910518863.db2.gz OMTOOIOQHUZYHY-TUAOUCFPSA-N 2 1 282.388 -0.547 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001436968565 910522805 /nfs/dbraw/zinc/52/28/05/910522805.db2.gz RJILIYVNNIJSRP-PHIMTYICSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCn1cccn1 ZINC001437130398 910559080 /nfs/dbraw/zinc/55/90/80/910559080.db2.gz XFSBWXFPWFNREJ-CHWSQXEVSA-N 2 1 295.387 -0.692 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCn1cccn1 ZINC001437130398 910559087 /nfs/dbraw/zinc/55/90/87/910559087.db2.gz XFSBWXFPWFNREJ-CHWSQXEVSA-N 2 1 295.387 -0.692 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cn(C)nn1 ZINC001437144244 910566472 /nfs/dbraw/zinc/56/64/72/910566472.db2.gz JGQQNRFOTDNCBU-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cn(C)nn1 ZINC001437144244 910566483 /nfs/dbraw/zinc/56/64/83/910566483.db2.gz JGQQNRFOTDNCBU-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001437249066 910599124 /nfs/dbraw/zinc/59/91/24/910599124.db2.gz OKONACYAVGCBJQ-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CCn1cc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)nn1 ZINC001437259691 910604081 /nfs/dbraw/zinc/60/40/81/910604081.db2.gz JGIZKPSXSAAAIT-LBPRGKRZSA-N 2 1 294.403 -0.012 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001437326141 910612564 /nfs/dbraw/zinc/61/25/64/910612564.db2.gz NEOCPTGTNFVDFS-OLZOCXBDSA-N 2 1 296.415 -0.536 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001437404051 910629585 /nfs/dbraw/zinc/62/95/85/910629585.db2.gz QPBJFGBAJZKPTE-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001437422084 910630058 /nfs/dbraw/zinc/63/00/58/910630058.db2.gz LMWSBAPKZNPUQD-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001437420775 910630933 /nfs/dbraw/zinc/63/09/33/910630933.db2.gz DXPQKMWAXOKPMK-CHWSQXEVSA-N 2 1 294.403 -0.286 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001437421438 910631477 /nfs/dbraw/zinc/63/14/77/910631477.db2.gz IWQJHUWVQGEHRU-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001437404053 910631560 /nfs/dbraw/zinc/63/15/60/910631560.db2.gz QPBJFGBAJZKPTE-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[NH+](C)C1(C(=O)NCC[N@@H+](C)[C@H]2CCCNC2=O)CCC1 ZINC001437473911 910657063 /nfs/dbraw/zinc/65/70/63/910657063.db2.gz ZBSIKUAPLQZUJT-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)C1(C(=O)NCC[N@H+](C)[C@H]2CCCNC2=O)CCC1 ZINC001437473911 910657075 /nfs/dbraw/zinc/65/70/75/910657075.db2.gz ZBSIKUAPLQZUJT-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001437508507 910664560 /nfs/dbraw/zinc/66/45/60/910664560.db2.gz MPKWMNCCENALPV-TUAOUCFPSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001437508507 910664564 /nfs/dbraw/zinc/66/45/64/910664564.db2.gz MPKWMNCCENALPV-TUAOUCFPSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001437508507 910664570 /nfs/dbraw/zinc/66/45/70/910664570.db2.gz MPKWMNCCENALPV-TUAOUCFPSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001437508507 910664576 /nfs/dbraw/zinc/66/45/76/910664576.db2.gz MPKWMNCCENALPV-TUAOUCFPSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001437569469 910687731 /nfs/dbraw/zinc/68/77/31/910687731.db2.gz IPBMYCNEEYCDAK-LLVKDONJSA-N 2 1 270.377 -0.737 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001437569469 910687737 /nfs/dbraw/zinc/68/77/37/910687737.db2.gz IPBMYCNEEYCDAK-LLVKDONJSA-N 2 1 270.377 -0.737 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001437569469 910687743 /nfs/dbraw/zinc/68/77/43/910687743.db2.gz IPBMYCNEEYCDAK-LLVKDONJSA-N 2 1 270.377 -0.737 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001437569469 910687755 /nfs/dbraw/zinc/68/77/55/910687755.db2.gz IPBMYCNEEYCDAK-LLVKDONJSA-N 2 1 270.377 -0.737 20 0 CBADMP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)CC(N)=O ZINC001437596773 910693144 /nfs/dbraw/zinc/69/31/44/910693144.db2.gz KUXMDYLDBJQKEA-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)CC(N)=O ZINC001437596773 910693159 /nfs/dbraw/zinc/69/31/59/910693159.db2.gz KUXMDYLDBJQKEA-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[NH+](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)CC(N)=O ZINC001437596773 910693174 /nfs/dbraw/zinc/69/31/74/910693174.db2.gz KUXMDYLDBJQKEA-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[NH+](CCNC(=O)CC[C@H]1CCC[N@H+]1C)CC(N)=O ZINC001437596773 910693190 /nfs/dbraw/zinc/69/31/90/910693190.db2.gz KUXMDYLDBJQKEA-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@H](C)O ZINC001437592988 910693460 /nfs/dbraw/zinc/69/34/60/910693460.db2.gz UOXXSCXUFDTTCS-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@H](C)O ZINC001437592988 910693469 /nfs/dbraw/zinc/69/34/69/910693469.db2.gz UOXXSCXUFDTTCS-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C[C@H](C)O ZINC001437592988 910693475 /nfs/dbraw/zinc/69/34/75/910693475.db2.gz UOXXSCXUFDTTCS-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C[C@H](C)O ZINC001437592988 910693486 /nfs/dbraw/zinc/69/34/86/910693486.db2.gz UOXXSCXUFDTTCS-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)CC(N)=O ZINC001437597562 910694357 /nfs/dbraw/zinc/69/43/57/910694357.db2.gz JEXARQIYSKJUTG-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)CC(N)=O ZINC001437597562 910694367 /nfs/dbraw/zinc/69/43/67/910694367.db2.gz JEXARQIYSKJUTG-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+](C)C1CCC1)CC(N)=O ZINC001437597562 910694384 /nfs/dbraw/zinc/69/43/84/910694384.db2.gz JEXARQIYSKJUTG-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)CC(N)=O ZINC001437597562 910694396 /nfs/dbraw/zinc/69/43/96/910694396.db2.gz JEXARQIYSKJUTG-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001437697834 910730386 /nfs/dbraw/zinc/73/03/86/910730386.db2.gz IBPHIGKNTKDHLR-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001437697834 910730398 /nfs/dbraw/zinc/73/03/98/910730398.db2.gz IBPHIGKNTKDHLR-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001437697834 910730404 /nfs/dbraw/zinc/73/04/04/910730404.db2.gz IBPHIGKNTKDHLR-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001437697834 910730416 /nfs/dbraw/zinc/73/04/16/910730416.db2.gz IBPHIGKNTKDHLR-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1)C1CCC1 ZINC001437717754 910734157 /nfs/dbraw/zinc/73/41/57/910734157.db2.gz SMPFXOICLAKRRL-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+](CC(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1)C1CCC1 ZINC001437717754 910734174 /nfs/dbraw/zinc/73/41/74/910734174.db2.gz SMPFXOICLAKRRL-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1)C1CCC1 ZINC001437717754 910734191 /nfs/dbraw/zinc/73/41/91/910734191.db2.gz SMPFXOICLAKRRL-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC ZINC001437768055 910740626 /nfs/dbraw/zinc/74/06/26/910740626.db2.gz MWVPGXHEGIBGAP-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)NC ZINC001437768055 910740635 /nfs/dbraw/zinc/74/06/35/910740635.db2.gz MWVPGXHEGIBGAP-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC ZINC001437768055 910740646 /nfs/dbraw/zinc/74/06/46/910740646.db2.gz MWVPGXHEGIBGAP-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001437840450 910767812 /nfs/dbraw/zinc/76/78/12/910767812.db2.gz GACQEIOCKMFCEX-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+]1CCN(CCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001437962266 910786484 /nfs/dbraw/zinc/78/64/84/910786484.db2.gz STSNIZHNICOTLC-CQSZACIVSA-N 2 1 298.431 -0.587 20 0 CBADMP CC[NH+]1CCN(CCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001437962266 910786499 /nfs/dbraw/zinc/78/64/99/910786499.db2.gz STSNIZHNICOTLC-CQSZACIVSA-N 2 1 298.431 -0.587 20 0 CBADMP C[N@H+](CCO)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001437991541 910792277 /nfs/dbraw/zinc/79/22/77/910792277.db2.gz UOANCKIYPPOQOZ-CQSZACIVSA-N 2 1 299.415 -0.520 20 0 CBADMP C[N@@H+](CCO)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001437991541 910792291 /nfs/dbraw/zinc/79/22/91/910792291.db2.gz UOANCKIYPPOQOZ-CQSZACIVSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCO)CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001437991541 910792310 /nfs/dbraw/zinc/79/23/10/910792310.db2.gz UOANCKIYPPOQOZ-CQSZACIVSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCO)CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001437991541 910792331 /nfs/dbraw/zinc/79/23/31/910792331.db2.gz UOANCKIYPPOQOZ-CQSZACIVSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@H](O)C[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001438140857 910830393 /nfs/dbraw/zinc/83/03/93/910830393.db2.gz ABUZWIAJEPGCBG-GXTWGEPZSA-N 2 1 299.415 -0.617 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001438188845 910844902 /nfs/dbraw/zinc/84/49/02/910844902.db2.gz NQAMYNYGPAZMKJ-RYUDHWBXSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001438188845 910844921 /nfs/dbraw/zinc/84/49/21/910844921.db2.gz NQAMYNYGPAZMKJ-RYUDHWBXSA-N 2 1 294.399 -0.593 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001438486918 910904254 /nfs/dbraw/zinc/90/42/54/910904254.db2.gz FVTQQYLZBVNIHI-GRYCIOLGSA-N 2 1 284.404 -0.456 20 0 CBADMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]CC(N)=O ZINC001438503421 910908202 /nfs/dbraw/zinc/90/82/02/910908202.db2.gz KPYVFIMFXLKQEN-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nnnn1C ZINC001438549548 910915362 /nfs/dbraw/zinc/91/53/62/910915362.db2.gz RMWXANZQEXKPQI-MNOVXSKESA-N 2 1 295.391 -0.996 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH+](CCCO)CCO2)C1 ZINC001438588821 910929650 /nfs/dbraw/zinc/92/96/50/910929650.db2.gz KZWLRYIQHPHQER-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH+](CCCO)CCO2)C1 ZINC001438588821 910929664 /nfs/dbraw/zinc/92/96/64/910929664.db2.gz KZWLRYIQHPHQER-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2C[N@H+](CCCO)CCO2)C1 ZINC001438588821 910929672 /nfs/dbraw/zinc/92/96/72/910929672.db2.gz KZWLRYIQHPHQER-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)C1 ZINC001438588821 910929683 /nfs/dbraw/zinc/92/96/83/910929683.db2.gz KZWLRYIQHPHQER-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH+](CCCO)CCO2)C1 ZINC001438588817 910929911 /nfs/dbraw/zinc/92/99/11/910929911.db2.gz KZWLRYIQHPHQER-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH+](CCCO)CCO2)C1 ZINC001438588817 910929924 /nfs/dbraw/zinc/92/99/24/910929924.db2.gz KZWLRYIQHPHQER-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2C[N@H+](CCCO)CCO2)C1 ZINC001438588817 910929934 /nfs/dbraw/zinc/92/99/34/910929934.db2.gz KZWLRYIQHPHQER-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)C1 ZINC001438588817 910929946 /nfs/dbraw/zinc/92/99/46/910929946.db2.gz KZWLRYIQHPHQER-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001438640840 910943087 /nfs/dbraw/zinc/94/30/87/910943087.db2.gz WBLDEXKXHKLEQM-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001438898863 910987597 /nfs/dbraw/zinc/98/75/97/910987597.db2.gz HMSMZNPVGXDKOO-GHMZBOCLSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001438898863 910987619 /nfs/dbraw/zinc/98/76/19/910987619.db2.gz HMSMZNPVGXDKOO-GHMZBOCLSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001438898863 910987644 /nfs/dbraw/zinc/98/76/44/910987644.db2.gz HMSMZNPVGXDKOO-GHMZBOCLSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001438898863 910987664 /nfs/dbraw/zinc/98/76/64/910987664.db2.gz HMSMZNPVGXDKOO-GHMZBOCLSA-N 2 1 270.377 -0.655 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001438884584 910990730 /nfs/dbraw/zinc/99/07/30/910990730.db2.gz WPFYFBZHMZAZJM-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001438884584 910990752 /nfs/dbraw/zinc/99/07/52/910990752.db2.gz WPFYFBZHMZAZJM-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001438884584 910990766 /nfs/dbraw/zinc/99/07/66/910990766.db2.gz WPFYFBZHMZAZJM-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001438884584 910990778 /nfs/dbraw/zinc/99/07/78/910990778.db2.gz WPFYFBZHMZAZJM-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)[C@@H]1CCN(C)C1=O ZINC001438927993 910998960 /nfs/dbraw/zinc/99/89/60/910998960.db2.gz YUONWGSRZIUFED-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)[C@@H]1CCN(C)C1=O ZINC001438927993 910998975 /nfs/dbraw/zinc/99/89/75/910998975.db2.gz YUONWGSRZIUFED-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001438927993 910998987 /nfs/dbraw/zinc/99/89/87/910998987.db2.gz YUONWGSRZIUFED-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001438927993 910999000 /nfs/dbraw/zinc/99/90/00/910999000.db2.gz YUONWGSRZIUFED-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001506828571 921624697 /nfs/dbraw/zinc/62/46/97/921624697.db2.gz ORXCREOTIBBBNR-ZRJCITRHSA-N 2 1 292.383 -0.134 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001506828571 921624704 /nfs/dbraw/zinc/62/47/04/921624704.db2.gz ORXCREOTIBBBNR-ZRJCITRHSA-N 2 1 292.383 -0.134 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001438964494 911021466 /nfs/dbraw/zinc/02/14/66/911021466.db2.gz PDBWCNOVFCDGEL-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439048011 911073475 /nfs/dbraw/zinc/07/34/75/911073475.db2.gz TVMQOBHCXUXNHR-RYUDHWBXSA-N 2 1 296.371 -0.499 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001439129470 911112343 /nfs/dbraw/zinc/11/23/43/911112343.db2.gz MEYKJQUATWMWIA-LLVKDONJSA-N 2 1 295.387 -0.188 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439142137 911114368 /nfs/dbraw/zinc/11/43/68/911114368.db2.gz FXODLWNNXWWABQ-LLVKDONJSA-N 2 1 294.403 -0.249 20 0 CBADMP CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001439138720 911115681 /nfs/dbraw/zinc/11/56/81/911115681.db2.gz LQKSRSNSCWDKBS-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001439149574 911118783 /nfs/dbraw/zinc/11/87/83/911118783.db2.gz NPQXEPLDZKHUBB-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP 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 921635326 /nfs/dbraw/zinc/63/53/26/921635326.db2.gz DZOAOAGCHOGZEC-YVECIDJPSA-N 2 1 296.415 -0.314 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001439164875 911125672 /nfs/dbraw/zinc/12/56/72/911125672.db2.gz ZFMYPSDGNLPMOD-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001439195892 911136000 /nfs/dbraw/zinc/13/60/00/911136000.db2.gz LWOPLDRVHWUIAU-AAEUAGOBSA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CNCc1ncnn1C ZINC001439272735 911159787 /nfs/dbraw/zinc/15/97/87/911159787.db2.gz DCWKYGYTMGOTIW-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ncnn1C ZINC001439272735 911159801 /nfs/dbraw/zinc/15/98/01/911159801.db2.gz DCWKYGYTMGOTIW-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001439330475 911181172 /nfs/dbraw/zinc/18/11/72/911181172.db2.gz ZENWAGJBKBTWDB-SDDRHHMPSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001439330475 911181177 /nfs/dbraw/zinc/18/11/77/911181177.db2.gz ZENWAGJBKBTWDB-SDDRHHMPSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001439330475 911181182 /nfs/dbraw/zinc/18/11/82/911181182.db2.gz ZENWAGJBKBTWDB-SDDRHHMPSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001439330475 911181185 /nfs/dbraw/zinc/18/11/85/911181185.db2.gz ZENWAGJBKBTWDB-SDDRHHMPSA-N 2 1 284.404 -0.362 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001439460987 911215055 /nfs/dbraw/zinc/21/50/55/911215055.db2.gz ZBHOYYSNTVANRS-OLZOCXBDSA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001506944401 921644932 /nfs/dbraw/zinc/64/49/32/921644932.db2.gz ACQMZAFGJWQAEO-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001439613630 911258942 /nfs/dbraw/zinc/25/89/42/911258942.db2.gz SKXDHXBDSVMXSL-NSHDSACASA-N 2 1 282.388 -0.416 20 0 CBADMP CN(C(=O)COC1CC[NH+](C)CC1)C1C[NH+](CCCO)C1 ZINC001439750034 911284744 /nfs/dbraw/zinc/28/47/44/911284744.db2.gz ULSOXKQMNNDWHL-UHFFFAOYSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](CCn2cncn2)C1 ZINC001439850048 911302736 /nfs/dbraw/zinc/30/27/36/911302736.db2.gz LCYCHDRIFANUHH-AWEZNQCLSA-N 2 1 294.403 -0.190 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001439905714 911313324 /nfs/dbraw/zinc/31/33/24/911313324.db2.gz CCEMRAWWJSTITB-CQSZACIVSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001440008906 911343834 /nfs/dbraw/zinc/34/38/34/911343834.db2.gz CFCAURXFSXQVFW-DZGCQCFKSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001440008906 911343848 /nfs/dbraw/zinc/34/38/48/911343848.db2.gz CFCAURXFSXQVFW-DZGCQCFKSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001440008906 911343868 /nfs/dbraw/zinc/34/38/68/911343868.db2.gz CFCAURXFSXQVFW-DZGCQCFKSA-N 2 1 299.415 -0.736 20 0 CBADMP CN(C(=O)CC[NH+]1CCOCC1)[C@@H](C[NH2+]CCO)C1CC1 ZINC001507030197 921654933 /nfs/dbraw/zinc/65/49/33/921654933.db2.gz NDUBMJRIQQTKAP-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001440153117 911391812 /nfs/dbraw/zinc/39/18/12/911391812.db2.gz YFYGSXGXTDLRPJ-HZSPNIEDSA-N 2 1 299.415 -0.664 20 0 CBADMP CC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001440159613 911396937 /nfs/dbraw/zinc/39/69/37/911396937.db2.gz RIXRPKOTQXWMKJ-AWEZNQCLSA-N 2 1 298.431 -0.493 20 0 CBADMP CC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001440159613 911396952 /nfs/dbraw/zinc/39/69/52/911396952.db2.gz RIXRPKOTQXWMKJ-AWEZNQCLSA-N 2 1 298.431 -0.493 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001440379739 911440220 /nfs/dbraw/zinc/44/02/20/911440220.db2.gz UBMCPFZKJSEVPQ-SRVKXCTJSA-N 2 1 284.404 -0.314 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001440555388 911472029 /nfs/dbraw/zinc/47/20/29/911472029.db2.gz VEVXYKXXEOSWAC-AWEZNQCLSA-N 2 1 296.371 -0.873 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]CCO)CC2)C1 ZINC001440613028 911478102 /nfs/dbraw/zinc/47/81/02/911478102.db2.gz JOBVBVKFUKYCRH-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]CCO)CC2)C1 ZINC001440613028 911478106 /nfs/dbraw/zinc/47/81/06/911478106.db2.gz JOBVBVKFUKYCRH-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC(N)=O ZINC001440649821 911486284 /nfs/dbraw/zinc/48/62/84/911486284.db2.gz KSQDXKAJZMHGCK-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC(N)=O ZINC001440649821 911486294 /nfs/dbraw/zinc/48/62/94/911486294.db2.gz KSQDXKAJZMHGCK-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CNC(=O)C[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001440761576 911504487 /nfs/dbraw/zinc/50/44/87/911504487.db2.gz QWRSIYXBWCGZRW-UHFFFAOYSA-N 2 1 293.371 -0.578 20 0 CBADMP CC[C@@H](C(=O)N(C)C1CC[NH+](CC(N)=O)CC1)[NH+](C)C ZINC001441002882 911581625 /nfs/dbraw/zinc/58/16/25/911581625.db2.gz ASQZNTOABLYAKC-LBPRGKRZSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H]1CCN(C)C1=O ZINC001441003876 911582965 /nfs/dbraw/zinc/58/29/65/911582965.db2.gz SMZZXTDSIXUFJL-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001441003876 911582980 /nfs/dbraw/zinc/58/29/80/911582980.db2.gz SMZZXTDSIXUFJL-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001441003876 911583009 /nfs/dbraw/zinc/58/30/09/911583009.db2.gz SMZZXTDSIXUFJL-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC2(CCO)C[NH+](CC3CC3)C2)C1 ZINC001441067897 911604890 /nfs/dbraw/zinc/60/48/90/911604890.db2.gz BYYSINUPGRVETD-CYBMUJFWSA-N 2 1 281.400 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2(CCO)C[NH+](CC3CC3)C2)C1 ZINC001441067897 911604897 /nfs/dbraw/zinc/60/48/97/911604897.db2.gz BYYSINUPGRVETD-CYBMUJFWSA-N 2 1 281.400 -0.099 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC)CC1(C)C ZINC001441261860 911634370 /nfs/dbraw/zinc/63/43/70/911634370.db2.gz NFRPOXINZHNAMK-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC)CC1(C)C ZINC001441261860 911634377 /nfs/dbraw/zinc/63/43/77/911634377.db2.gz NFRPOXINZHNAMK-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC)CC1(C)C ZINC001441261860 911634381 /nfs/dbraw/zinc/63/43/81/911634381.db2.gz NFRPOXINZHNAMK-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)CC1(C)C ZINC001441261860 911634388 /nfs/dbraw/zinc/63/43/88/911634388.db2.gz NFRPOXINZHNAMK-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001441353229 911654485 /nfs/dbraw/zinc/65/44/85/911654485.db2.gz NTFGSQRZNQIAKD-SRVKXCTJSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001441439944 911669194 /nfs/dbraw/zinc/66/91/94/911669194.db2.gz NHASUJAEDRYOHH-AVGNSLFASA-N 2 1 296.415 -0.156 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507126872 921684604 /nfs/dbraw/zinc/68/46/04/921684604.db2.gz OKKYEUATCINMCM-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001441613231 911715685 /nfs/dbraw/zinc/71/56/85/911715685.db2.gz CUQSWRKDESYHEF-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001441654855 911726021 /nfs/dbraw/zinc/72/60/21/911726021.db2.gz HZSQQSCZHGAWOA-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1nnnn1C ZINC001441659064 911728505 /nfs/dbraw/zinc/72/85/05/911728505.db2.gz OXYOLKDGMAVRKG-LLVKDONJSA-N 2 1 295.391 -0.758 20 0 CBADMP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1nncn1C ZINC001441659745 911731267 /nfs/dbraw/zinc/73/12/67/911731267.db2.gz QVVQJAIWRBNEQY-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)o1 ZINC001441740255 911774031 /nfs/dbraw/zinc/77/40/31/911774031.db2.gz AOMKCMSMWWDHSM-LLVKDONJSA-N 2 1 284.360 -0.499 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001507161553 921690913 /nfs/dbraw/zinc/69/09/13/921690913.db2.gz LZPDXGCJJPMDQF-RYUDHWBXSA-N 2 1 286.420 -0.102 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001441771453 911796228 /nfs/dbraw/zinc/79/62/28/911796228.db2.gz WYYVUGVXCLJASJ-CHWSQXEVSA-N 2 1 287.404 -0.692 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001441783902 911803102 /nfs/dbraw/zinc/80/31/02/911803102.db2.gz INBCFWYZXQGHTD-PWSUYJOCSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001441783902 911803113 /nfs/dbraw/zinc/80/31/13/911803113.db2.gz INBCFWYZXQGHTD-PWSUYJOCSA-N 2 1 280.376 -0.496 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001441836786 911830255 /nfs/dbraw/zinc/83/02/55/911830255.db2.gz CYOPHNMTDVVPEU-SNVBAGLBSA-N 2 1 270.377 -0.689 20 0 CBADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2)[NH+](C)C ZINC001441876319 911845533 /nfs/dbraw/zinc/84/55/33/911845533.db2.gz PXKJNEJSLQZVSS-ZOWXZIJZSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2)[NH+](C)C ZINC001441876319 911845537 /nfs/dbraw/zinc/84/55/37/911845537.db2.gz PXKJNEJSLQZVSS-ZOWXZIJZSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)[NH+](C)C ZINC001442089832 911926904 /nfs/dbraw/zinc/92/69/04/911926904.db2.gz GQBVSDABCXBHKC-OLZOCXBDSA-N 2 1 289.420 -0.684 20 0 CBADMP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001442139447 911938068 /nfs/dbraw/zinc/93/80/68/911938068.db2.gz OZTMCROGYDJKBH-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001442174299 911947206 /nfs/dbraw/zinc/94/72/06/911947206.db2.gz KSGRFTYIPJNBDU-QWRGUYRKSA-N 2 1 284.404 -0.456 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001442383801 911992087 /nfs/dbraw/zinc/99/20/87/911992087.db2.gz WMGKFCRJAUHMGA-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001442383801 911992098 /nfs/dbraw/zinc/99/20/98/911992098.db2.gz WMGKFCRJAUHMGA-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C(=O)NC1CC1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001442383801 911992113 /nfs/dbraw/zinc/99/21/13/911992113.db2.gz WMGKFCRJAUHMGA-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](C(=O)NC1CC1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001442383801 911992128 /nfs/dbraw/zinc/99/21/28/911992128.db2.gz WMGKFCRJAUHMGA-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001442416633 912010148 /nfs/dbraw/zinc/01/01/48/912010148.db2.gz TVPXMPPORUCNKF-LBPRGKRZSA-N 2 1 297.403 -0.513 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001442530785 912037331 /nfs/dbraw/zinc/03/73/31/912037331.db2.gz ACFDEGXTQJMJHK-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001442530785 912037353 /nfs/dbraw/zinc/03/73/53/912037353.db2.gz ACFDEGXTQJMJHK-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP C[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H]1CCCNC1=O ZINC001442616130 912060112 /nfs/dbraw/zinc/06/01/12/912060112.db2.gz ZJBMDEGZIRGMGM-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H]1CCCNC1=O ZINC001442616130 912060129 /nfs/dbraw/zinc/06/01/29/912060129.db2.gz ZJBMDEGZIRGMGM-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001442899870 912122382 /nfs/dbraw/zinc/12/23/82/912122382.db2.gz BEDUFGUKMFPUSM-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001442899396 912124561 /nfs/dbraw/zinc/12/45/61/912124561.db2.gz DSERTXWKAMRPLJ-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001442899396 912124570 /nfs/dbraw/zinc/12/45/70/912124570.db2.gz DSERTXWKAMRPLJ-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001442899396 912124577 /nfs/dbraw/zinc/12/45/77/912124577.db2.gz DSERTXWKAMRPLJ-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001442901239 912125810 /nfs/dbraw/zinc/12/58/10/912125810.db2.gz CVVQMEVSWAUYHF-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001442901239 912125815 /nfs/dbraw/zinc/12/58/15/912125815.db2.gz CVVQMEVSWAUYHF-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001442901239 912125818 /nfs/dbraw/zinc/12/58/18/912125818.db2.gz CVVQMEVSWAUYHF-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC001442922334 912128684 /nfs/dbraw/zinc/12/86/84/912128684.db2.gz QEGUTAKUFZDLAC-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC001442922334 912128691 /nfs/dbraw/zinc/12/86/91/912128691.db2.gz QEGUTAKUFZDLAC-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)N(C)C ZINC001442922334 912128698 /nfs/dbraw/zinc/12/86/98/912128698.db2.gz QEGUTAKUFZDLAC-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)N(C)C ZINC001442922334 912128705 /nfs/dbraw/zinc/12/87/05/912128705.db2.gz QEGUTAKUFZDLAC-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001442928823 912129074 /nfs/dbraw/zinc/12/90/74/912129074.db2.gz CCGCSIXXVSKHAS-CYBMUJFWSA-N 2 1 296.415 -0.358 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001442928823 912129080 /nfs/dbraw/zinc/12/90/80/912129080.db2.gz CCGCSIXXVSKHAS-CYBMUJFWSA-N 2 1 296.415 -0.358 20 0 CBADMP NC(=O)C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001442993411 912138374 /nfs/dbraw/zinc/13/83/74/912138374.db2.gz HSGHSMSXANVPKG-CYBMUJFWSA-N 2 1 294.399 -0.606 20 0 CBADMP NC(=O)C[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001442993411 912138384 /nfs/dbraw/zinc/13/83/84/912138384.db2.gz HSGHSMSXANVPKG-CYBMUJFWSA-N 2 1 294.399 -0.606 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCC[NH+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001443076188 912147833 /nfs/dbraw/zinc/14/78/33/912147833.db2.gz XMSWKTWXZBITFY-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001443076188 912147844 /nfs/dbraw/zinc/14/78/44/912147844.db2.gz XMSWKTWXZBITFY-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC[N@H+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001443076188 912147852 /nfs/dbraw/zinc/14/78/52/912147852.db2.gz XMSWKTWXZBITFY-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001443076188 912147860 /nfs/dbraw/zinc/14/78/60/912147860.db2.gz XMSWKTWXZBITFY-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCC[NH+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001443076186 912148452 /nfs/dbraw/zinc/14/84/52/912148452.db2.gz XMSWKTWXZBITFY-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001443076186 912148459 /nfs/dbraw/zinc/14/84/59/912148459.db2.gz XMSWKTWXZBITFY-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC[N@H+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001443076186 912148471 /nfs/dbraw/zinc/14/84/71/912148471.db2.gz XMSWKTWXZBITFY-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC[N@@H+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001443076186 912148480 /nfs/dbraw/zinc/14/84/80/912148480.db2.gz XMSWKTWXZBITFY-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001443100312 912157864 /nfs/dbraw/zinc/15/78/64/912157864.db2.gz UDVUFXOKIDAZCP-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP COC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001443112552 912160815 /nfs/dbraw/zinc/16/08/15/912160815.db2.gz XFSABUUOJDCNFG-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP COC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001443112552 912160821 /nfs/dbraw/zinc/16/08/21/912160821.db2.gz XFSABUUOJDCNFG-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001443116939 912162866 /nfs/dbraw/zinc/16/28/66/912162866.db2.gz KMPIGCXAPGDOOI-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH+](C)CC(N)=O)CC1 ZINC001443367498 912192260 /nfs/dbraw/zinc/19/22/60/912192260.db2.gz CHFVOCABVXYWGK-UHFFFAOYSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC(C[N@H+](C)CC(N)=O)CC1 ZINC001443367498 912192268 /nfs/dbraw/zinc/19/22/68/912192268.db2.gz CHFVOCABVXYWGK-UHFFFAOYSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC(C[N@@H+](C)CC(N)=O)CC1 ZINC001443367498 912192272 /nfs/dbraw/zinc/19/22/72/912192272.db2.gz CHFVOCABVXYWGK-UHFFFAOYSA-N 2 1 298.431 -0.018 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001507200138 921736640 /nfs/dbraw/zinc/73/66/40/921736640.db2.gz DQYBLYAUXDSPMN-GHMZBOCLSA-N 2 1 261.341 -0.493 20 0 CBADMP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001471374156 915584020 /nfs/dbraw/zinc/58/40/20/915584020.db2.gz PNOYNVJCSNPJAO-YPMHNXCESA-N 2 1 255.362 -0.394 20 0 CBADMP CC[N@H+]1CC[C@@H]1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001471374156 915584033 /nfs/dbraw/zinc/58/40/33/915584033.db2.gz PNOYNVJCSNPJAO-YPMHNXCESA-N 2 1 255.362 -0.394 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC([NH2+]C3COC3)C2)C1 ZINC001472157165 915701945 /nfs/dbraw/zinc/70/19/45/915701945.db2.gz KANYTNQHBWXKRM-JTQLQIEISA-N 2 1 253.346 -0.473 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC([NH2+]C3COC3)C2)C1 ZINC001472157165 915701962 /nfs/dbraw/zinc/70/19/62/915701962.db2.gz KANYTNQHBWXKRM-JTQLQIEISA-N 2 1 253.346 -0.473 20 0 CBADMP C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC001472626943 915758482 /nfs/dbraw/zinc/75/84/82/915758482.db2.gz OGZJDKKTZCLYJJ-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC001472626943 915758490 /nfs/dbraw/zinc/75/84/90/915758490.db2.gz OGZJDKKTZCLYJJ-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC001472626943 915758505 /nfs/dbraw/zinc/75/85/05/915758505.db2.gz OGZJDKKTZCLYJJ-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@@H](O)[C@@H](C)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001473149866 915799219 /nfs/dbraw/zinc/79/92/19/915799219.db2.gz VNQFCWBJDNWLQI-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)C3(O)CCOCC3)C[C@@H]2C1 ZINC001473703452 915852109 /nfs/dbraw/zinc/85/21/09/915852109.db2.gz NFJSZXZOTXDOPK-RDBSUJKOSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)C3(O)CCOCC3)C[C@@H]2C1 ZINC001473703452 915852120 /nfs/dbraw/zinc/85/21/20/915852120.db2.gz NFJSZXZOTXDOPK-RDBSUJKOSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)C3(O)CCOCC3)C[C@@H]2C1 ZINC001473703452 915852138 /nfs/dbraw/zinc/85/21/38/915852138.db2.gz NFJSZXZOTXDOPK-RDBSUJKOSA-N 2 1 284.400 -0.228 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001479357224 916121418 /nfs/dbraw/zinc/12/14/18/916121418.db2.gz FEVLEVUIXJCMDB-IHRRRGAJSA-N 2 1 299.415 -0.426 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001479358004 916123536 /nfs/dbraw/zinc/12/35/36/916123536.db2.gz SFBIFYOTBUJSOE-LPWJVIDDSA-N 2 1 296.415 -0.301 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001479770702 916170669 /nfs/dbraw/zinc/17/06/69/916170669.db2.gz IGFLRQXKUCURIW-GFCCVEGCSA-N 2 1 282.388 -0.748 20 0 CBADMP C[N@@H+](CCO)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001479779632 916175341 /nfs/dbraw/zinc/17/53/41/916175341.db2.gz QESTXMAEHMOFPW-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+](CCO)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001479779632 916175351 /nfs/dbraw/zinc/17/53/51/916175351.db2.gz QESTXMAEHMOFPW-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+](CCO)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001479779632 916175363 /nfs/dbraw/zinc/17/53/63/916175363.db2.gz QESTXMAEHMOFPW-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[C@H](O)C[N@H+](C)CCCNC(=O)CC[NH+]1CCOCC1 ZINC001479802544 916178919 /nfs/dbraw/zinc/17/89/19/916178919.db2.gz TUBGFZDPWNLZMI-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCCNC(=O)CC[NH+]1CCOCC1 ZINC001479802544 916178932 /nfs/dbraw/zinc/17/89/32/916178932.db2.gz TUBGFZDPWNLZMI-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CCN1CC[C@@H]([N@@H+](C)CCCNC(=O)CC[NH+](C)C)C1=O ZINC001479793656 916180849 /nfs/dbraw/zinc/18/08/49/916180849.db2.gz MBYZBAPWEVJNIJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCCO)C1)[NH+](C)C ZINC001479968965 916242627 /nfs/dbraw/zinc/24/26/27/916242627.db2.gz LPQAEJQNBRULAC-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCCO)C1CC1 ZINC001480038539 916268838 /nfs/dbraw/zinc/26/88/38/916268838.db2.gz KHQWUBTUXNDZIQ-QWHCGFSZSA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]([NH2+]CCO)C2CC2)C1 ZINC001480047349 916273083 /nfs/dbraw/zinc/27/30/83/916273083.db2.gz RBRNOOBIQTZBFL-AAEUAGOBSA-N 2 1 269.389 -0.195 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001480300859 916354606 /nfs/dbraw/zinc/35/46/06/916354606.db2.gz QYIDRCBEPXDAFT-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001480436572 916404654 /nfs/dbraw/zinc/40/46/54/916404654.db2.gz SQGNQPNKMQUYQS-MNOVXSKESA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001480436572 916404667 /nfs/dbraw/zinc/40/46/67/916404667.db2.gz SQGNQPNKMQUYQS-MNOVXSKESA-N 2 1 280.376 -0.496 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001480502125 916443379 /nfs/dbraw/zinc/44/33/79/916443379.db2.gz GFDYUTWPTPCXQA-CMPLNLGQSA-N 2 1 293.371 -0.483 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001480554048 916468908 /nfs/dbraw/zinc/46/89/08/916468908.db2.gz HRAOXUUZFNGZPL-MNOVXSKESA-N 2 1 295.387 -0.060 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001480566093 916476863 /nfs/dbraw/zinc/47/68/63/916476863.db2.gz QZCHGIZMSXPLHI-QWRGUYRKSA-N 2 1 270.377 -0.689 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001480597550 916487131 /nfs/dbraw/zinc/48/71/31/916487131.db2.gz RFTRFMJXVHDRIB-GFCCVEGCSA-N 2 1 299.419 -0.554 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001480598208 916488689 /nfs/dbraw/zinc/48/86/89/916488689.db2.gz ZDCMTDDCFJQVMO-GFCCVEGCSA-N 2 1 286.420 -0.055 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001480595473 916488904 /nfs/dbraw/zinc/48/89/04/916488904.db2.gz AXONGYRCIJMPIC-JTQLQIEISA-N 2 1 283.380 -0.855 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001480595473 916488913 /nfs/dbraw/zinc/48/89/13/916488913.db2.gz AXONGYRCIJMPIC-JTQLQIEISA-N 2 1 283.380 -0.855 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001480623691 916499557 /nfs/dbraw/zinc/49/95/57/916499557.db2.gz KCZMQAGDNXQERQ-JTQLQIEISA-N 2 1 256.350 -0.996 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001480790849 916539712 /nfs/dbraw/zinc/53/97/12/916539712.db2.gz RTGASCTYCBETHK-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001480808682 916544254 /nfs/dbraw/zinc/54/42/54/916544254.db2.gz OIUROYXRZQDFRH-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[NH+](C)C1(C(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)CCC1 ZINC001480873481 916594585 /nfs/dbraw/zinc/59/45/85/916594585.db2.gz NMJMZHKOSTZCLO-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)C1(C(=O)NCC[N@H+](C)[C@H]2CCNC2=O)CCC1 ZINC001480873481 916594595 /nfs/dbraw/zinc/59/45/95/916594595.db2.gz NMJMZHKOSTZCLO-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001480908175 916626181 /nfs/dbraw/zinc/62/61/81/916626181.db2.gz SHNZDFPJYNCTDO-NSHDSACASA-N 2 1 298.387 -0.819 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001480908175 916626186 /nfs/dbraw/zinc/62/61/86/916626186.db2.gz SHNZDFPJYNCTDO-NSHDSACASA-N 2 1 298.387 -0.819 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480935772 916643684 /nfs/dbraw/zinc/64/36/84/916643684.db2.gz ROWVYVDPGQYKGN-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480935772 916643694 /nfs/dbraw/zinc/64/36/94/916643694.db2.gz ROWVYVDPGQYKGN-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480935772 916643700 /nfs/dbraw/zinc/64/37/00/916643700.db2.gz ROWVYVDPGQYKGN-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001480935772 916643712 /nfs/dbraw/zinc/64/37/12/916643712.db2.gz ROWVYVDPGQYKGN-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](CC)CC(N)=O)[NH+](C)C ZINC001481001713 916680476 /nfs/dbraw/zinc/68/04/76/916680476.db2.gz VXBNVOOBXOUGLA-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](CC)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001480982848 916667507 /nfs/dbraw/zinc/66/75/07/916667507.db2.gz IUWOASUJRCETOD-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CCNC1=O ZINC001481000325 916678596 /nfs/dbraw/zinc/67/85/96/916678596.db2.gz VMDPWCPXYMIQPN-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[C@@H]1CCNC1=O ZINC001481000325 916678603 /nfs/dbraw/zinc/67/86/03/916678603.db2.gz VMDPWCPXYMIQPN-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[C@@H]1CCNC1=O ZINC001481000325 916678612 /nfs/dbraw/zinc/67/86/12/916678612.db2.gz VMDPWCPXYMIQPN-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](CC)CC(N)=O)[NH+](C)C ZINC001481001713 916680469 /nfs/dbraw/zinc/68/04/69/916680469.db2.gz VXBNVOOBXOUGLA-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001481056329 916698726 /nfs/dbraw/zinc/69/87/26/916698726.db2.gz QCEMZDALZKASHV-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001481056329 916698736 /nfs/dbraw/zinc/69/87/36/916698736.db2.gz QCEMZDALZKASHV-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001481056605 916700175 /nfs/dbraw/zinc/70/01/75/916700175.db2.gz RSFMXHZTZIZXOD-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[N@H+](CCCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001481133008 916730501 /nfs/dbraw/zinc/73/05/01/916730501.db2.gz HRQIJWBBTWKDNP-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[N@@H+](CCCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001481133008 916730512 /nfs/dbraw/zinc/73/05/12/916730512.db2.gz HRQIJWBBTWKDNP-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[NH+](CCCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001481133008 916730528 /nfs/dbraw/zinc/73/05/28/916730528.db2.gz HRQIJWBBTWKDNP-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[NH+](CCCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001481133008 916730541 /nfs/dbraw/zinc/73/05/41/916730541.db2.gz HRQIJWBBTWKDNP-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCO ZINC001481229719 916775704 /nfs/dbraw/zinc/77/57/04/916775704.db2.gz XSCMQAYVIFFCKC-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001481240728 916784624 /nfs/dbraw/zinc/78/46/24/916784624.db2.gz VWAPMVGYZWMUIJ-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001481344489 916819520 /nfs/dbraw/zinc/81/95/20/916819520.db2.gz YFCUNHUCBLWDIL-WCQYABFASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001481344487 916820722 /nfs/dbraw/zinc/82/07/22/916820722.db2.gz YFCUNHUCBLWDIL-AAEUAGOBSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001481344490 916821908 /nfs/dbraw/zinc/82/19/08/916821908.db2.gz YFCUNHUCBLWDIL-YPMHNXCESA-N 2 1 296.415 -0.360 20 0 CBADMP COCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001481533194 916859290 /nfs/dbraw/zinc/85/92/90/916859290.db2.gz HOTFDSIGGIEKTF-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001481533194 916859304 /nfs/dbraw/zinc/85/93/04/916859304.db2.gz HOTFDSIGGIEKTF-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001481533194 916859311 /nfs/dbraw/zinc/85/93/11/916859311.db2.gz HOTFDSIGGIEKTF-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001481533194 916859325 /nfs/dbraw/zinc/85/93/25/916859325.db2.gz HOTFDSIGGIEKTF-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001481651353 916932434 /nfs/dbraw/zinc/93/24/34/916932434.db2.gz XEWJNBAOOVISNA-UHFFFAOYSA-N 2 1 285.388 -0.597 20 0 CBADMP COCCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481700012 916961368 /nfs/dbraw/zinc/96/13/68/916961368.db2.gz ZQLIKDIRYMZESS-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCOCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001481700012 916961380 /nfs/dbraw/zinc/96/13/80/916961380.db2.gz ZQLIKDIRYMZESS-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCOCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001481700012 916961389 /nfs/dbraw/zinc/96/13/89/916961389.db2.gz ZQLIKDIRYMZESS-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001481798573 916989641 /nfs/dbraw/zinc/98/96/41/916989641.db2.gz OXTLKWUHKGHCLR-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001481875688 917011606 /nfs/dbraw/zinc/01/16/06/917011606.db2.gz PBZYHYAAELGYIL-QWHCGFSZSA-N 2 1 294.403 -0.286 20 0 CBADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@@H]1CCNC1=O ZINC001481877998 917012122 /nfs/dbraw/zinc/01/21/22/917012122.db2.gz GIHMVORNOFXTJN-NWDGAFQWSA-N 2 1 293.371 -0.436 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCO)C1 ZINC001482068519 917037970 /nfs/dbraw/zinc/03/79/70/917037970.db2.gz QESRJOWEKZWHGL-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCO)C1 ZINC001482068519 917037986 /nfs/dbraw/zinc/03/79/86/917037986.db2.gz QESRJOWEKZWHGL-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)N(C)C ZINC001482159707 917072769 /nfs/dbraw/zinc/07/27/69/917072769.db2.gz RCBSYDVDZRSZOW-OLZOCXBDSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482200638 917091483 /nfs/dbraw/zinc/09/14/83/917091483.db2.gz ZEEVOPLMBQZTTK-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482200638 917091497 /nfs/dbraw/zinc/09/14/97/917091497.db2.gz ZEEVOPLMBQZTTK-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482329339 917129338 /nfs/dbraw/zinc/12/93/38/917129338.db2.gz AKHAJUKBKRHXDJ-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482353711 917134032 /nfs/dbraw/zinc/13/40/32/917134032.db2.gz KMLSGXIVHYFVGV-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001482758360 917254382 /nfs/dbraw/zinc/25/43/82/917254382.db2.gz ZEXKVTGDBJNTSC-NWDGAFQWSA-N 2 1 255.362 -0.443 20 0 CBADMP C[C@H](CC[NH2+]CCO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482887699 917326299 /nfs/dbraw/zinc/32/62/99/917326299.db2.gz DYOXAVLLZMXPQG-VXGBXAGGSA-N 2 1 257.378 -0.195 20 0 CBADMP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C)no1 ZINC001482797715 917288448 /nfs/dbraw/zinc/28/84/48/917288448.db2.gz BQNCAVIBYQVFRA-ZDUSSCGKSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C)no1 ZINC001482797715 917288462 /nfs/dbraw/zinc/28/84/62/917288462.db2.gz BQNCAVIBYQVFRA-ZDUSSCGKSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001482798048 917291750 /nfs/dbraw/zinc/29/17/50/917291750.db2.gz DYGVMTPTFJXQAZ-GFCCVEGCSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001482798048 917291762 /nfs/dbraw/zinc/29/17/62/917291762.db2.gz DYGVMTPTFJXQAZ-GFCCVEGCSA-N 2 1 298.387 -0.110 20 0 CBADMP C[C@H](CC[NH2+]CCCO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001482816678 917303652 /nfs/dbraw/zinc/30/36/52/917303652.db2.gz IRMORNQKXCLDFN-NEPJUHHUSA-N 2 1 257.378 -0.053 20 0 CBADMP CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001482969039 917351966 /nfs/dbraw/zinc/35/19/66/917351966.db2.gz GFCAHPDSGFZTIU-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001482969039 917351975 /nfs/dbraw/zinc/35/19/75/917351975.db2.gz GFCAHPDSGFZTIU-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001483009124 917375416 /nfs/dbraw/zinc/37/54/16/917375416.db2.gz RGUSMPYCAPEIMX-MRPUBWEVSA-N 2 1 282.388 -0.538 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001483098927 917407452 /nfs/dbraw/zinc/40/74/52/917407452.db2.gz UQRNBYAXMLYCFL-ITKZLYELSA-N 2 1 282.388 -0.392 20 0 CBADMP C[C@H](C[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001483116052 917417506 /nfs/dbraw/zinc/41/75/06/917417506.db2.gz BDYHZLZRRREJEK-NEPJUHHUSA-N 2 1 297.403 -0.800 20 0 CBADMP CC[C@H]([NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001483137225 917429995 /nfs/dbraw/zinc/42/99/95/917429995.db2.gz NIJXKWLKXJYYIJ-PWSUYJOCSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C1CC[NH+](C)CC1 ZINC001483162607 917444251 /nfs/dbraw/zinc/44/42/51/917444251.db2.gz JMQRSUXUSHXQIU-LLVKDONJSA-N 2 1 294.403 -0.249 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001483166130 917448201 /nfs/dbraw/zinc/44/82/01/917448201.db2.gz AGCXQFORHQNIIU-YNEHKIRRSA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001483197364 917460996 /nfs/dbraw/zinc/46/09/96/917460996.db2.gz HEOCXVIPSOAVRT-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001483197699 917462135 /nfs/dbraw/zinc/46/21/35/917462135.db2.gz PAIKYRZBJZYISA-NEPJUHHUSA-N 2 1 286.420 -0.102 20 0 CBADMP C[C@@H](C[NH2+]CCOCC1CC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483216591 917472199 /nfs/dbraw/zinc/47/21/99/917472199.db2.gz CJGJVGAUIHGTOK-JSGCOSHPSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H](C[NH2+]CCOCC1CC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483216591 917472209 /nfs/dbraw/zinc/47/22/09/917472209.db2.gz CJGJVGAUIHGTOK-JSGCOSHPSA-N 2 1 299.415 -0.162 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC ZINC001483232489 917485253 /nfs/dbraw/zinc/48/52/53/917485253.db2.gz DTHDQNMGRBZSII-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001483255904 917496625 /nfs/dbraw/zinc/49/66/25/917496625.db2.gz PPARWTBHMJUGTJ-SDDRHHMPSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001483255220 917497223 /nfs/dbraw/zinc/49/72/23/917497223.db2.gz FSJHHMKTUMLQIM-QJPTWQEYSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284840 917503921 /nfs/dbraw/zinc/50/39/21/917503921.db2.gz UTDDSKBTHWAZME-NSHDSACASA-N 2 1 292.387 -0.495 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001483286129 917504692 /nfs/dbraw/zinc/50/46/92/917504692.db2.gz LNUJBZYBABTOCR-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483354551 917546221 /nfs/dbraw/zinc/54/62/21/917546221.db2.gz WOAHBMXJCUGASB-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483354551 917546236 /nfs/dbraw/zinc/54/62/36/917546236.db2.gz WOAHBMXJCUGASB-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483354551 917546247 /nfs/dbraw/zinc/54/62/47/917546247.db2.gz WOAHBMXJCUGASB-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001483354551 917546263 /nfs/dbraw/zinc/54/62/63/917546263.db2.gz WOAHBMXJCUGASB-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@@H]1CCN(C)C1=O ZINC001483405588 917560416 /nfs/dbraw/zinc/56/04/16/917560416.db2.gz ZAWPPPQTAAEKQN-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001483405588 917560425 /nfs/dbraw/zinc/56/04/25/917560425.db2.gz ZAWPPPQTAAEKQN-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001483405588 917560431 /nfs/dbraw/zinc/56/04/31/917560431.db2.gz ZAWPPPQTAAEKQN-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001483421004 917560488 /nfs/dbraw/zinc/56/04/88/917560488.db2.gz ORXIWZWMZLVNLB-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001483721795 917655414 /nfs/dbraw/zinc/65/54/14/917655414.db2.gz JJDVVDYTODNXFS-NSHDSACASA-N 2 1 282.388 -0.545 20 0 CBADMP Cn1nncc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001483721939 917656147 /nfs/dbraw/zinc/65/61/47/917656147.db2.gz NRKSQSXIEXFOCM-LBPRGKRZSA-N 2 1 292.387 -0.352 20 0 CBADMP CN1CC[C@@H]([NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001483721850 917657604 /nfs/dbraw/zinc/65/76/04/917657604.db2.gz LHDCBQKHPPKZHM-NEPJUHHUSA-N 2 1 294.399 -0.450 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1([NH2+]CCO)CC1)CC2 ZINC001483762919 917673389 /nfs/dbraw/zinc/67/33/89/917673389.db2.gz PQCJLVACIUMDKJ-GFCCVEGCSA-N 2 1 292.383 -0.015 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCOCCO)C2)C1 ZINC001484072493 917730397 /nfs/dbraw/zinc/73/03/97/917730397.db2.gz VOQVBYJUVAIYIQ-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCOCCO)C2)C1 ZINC001484072493 917730405 /nfs/dbraw/zinc/73/04/05/917730405.db2.gz VOQVBYJUVAIYIQ-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCOCCO)C2)C1 ZINC001484072493 917730415 /nfs/dbraw/zinc/73/04/15/917730415.db2.gz VOQVBYJUVAIYIQ-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484057123 917731404 /nfs/dbraw/zinc/73/14/04/917731404.db2.gz DXQJCDWHXZAODI-AWEZNQCLSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484057123 917731419 /nfs/dbraw/zinc/73/14/19/917731419.db2.gz DXQJCDWHXZAODI-AWEZNQCLSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001484166809 917745024 /nfs/dbraw/zinc/74/50/24/917745024.db2.gz LVZUIVNMJHZELD-HNNXBMFYSA-N 2 1 298.431 -0.098 20 0 CBADMP COCCC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484238796 917788559 /nfs/dbraw/zinc/78/85/59/917788559.db2.gz MBWAFTJYPSAQDO-AWEZNQCLSA-N 2 1 287.404 -0.472 20 0 CBADMP C[N@@H+](CC(=O)N[C@@]1(CO)CCC[NH+](CCO)C1)C1CCC1 ZINC001484437427 917850062 /nfs/dbraw/zinc/85/00/62/917850062.db2.gz HANWLDUDMXPMGN-HNNXBMFYSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+](CC(=O)N[C@@]1(CO)CCC[N@H+](CCO)C1)C1CCC1 ZINC001484437427 917850080 /nfs/dbraw/zinc/85/00/80/917850080.db2.gz HANWLDUDMXPMGN-HNNXBMFYSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+](CC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1)C1CCC1 ZINC001484437427 917850092 /nfs/dbraw/zinc/85/00/92/917850092.db2.gz HANWLDUDMXPMGN-HNNXBMFYSA-N 2 1 299.415 -0.594 20 0 CBADMP CO[C@H](C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001484478149 917864691 /nfs/dbraw/zinc/86/46/91/917864691.db2.gz HYKUYXHMHLKVSC-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001484478478 917865513 /nfs/dbraw/zinc/86/55/13/917865513.db2.gz QOZBEACTTKSVNS-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCO)C2)C1 ZINC001484514533 917883263 /nfs/dbraw/zinc/88/32/63/917883263.db2.gz LLAZOOMDALYBAI-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCO)C2)C1 ZINC001484514533 917883276 /nfs/dbraw/zinc/88/32/76/917883276.db2.gz LLAZOOMDALYBAI-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP CO[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001484628248 917903985 /nfs/dbraw/zinc/90/39/85/917903985.db2.gz DQYYNKBZWFBREZ-STQMWFEESA-N 2 1 299.415 -0.020 20 0 CBADMP CO[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001484628248 917904003 /nfs/dbraw/zinc/90/40/03/917904003.db2.gz DQYYNKBZWFBREZ-STQMWFEESA-N 2 1 299.415 -0.020 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCCO)CCC2)C1 ZINC001484664025 917909958 /nfs/dbraw/zinc/90/99/58/917909958.db2.gz NSJUEGPQSGGLHW-CYBMUJFWSA-N 2 1 299.415 -0.282 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCCO)CCC2)C1 ZINC001484664025 917909965 /nfs/dbraw/zinc/90/99/65/917909965.db2.gz NSJUEGPQSGGLHW-CYBMUJFWSA-N 2 1 299.415 -0.282 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001485159690 918015985 /nfs/dbraw/zinc/01/59/85/918015985.db2.gz ZBVJFBZNXWNRAN-GHMZBOCLSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)CCO ZINC001485312088 918074384 /nfs/dbraw/zinc/07/43/84/918074384.db2.gz GUYDRXAEUOILEE-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485382192 918097319 /nfs/dbraw/zinc/09/73/19/918097319.db2.gz CWPVZESHIHFPCE-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485382192 918097335 /nfs/dbraw/zinc/09/73/35/918097335.db2.gz CWPVZESHIHFPCE-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)N(C)C ZINC001485373701 918098303 /nfs/dbraw/zinc/09/83/03/918098303.db2.gz VASCTTWBGDBVHV-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)N(C)C ZINC001485373701 918098324 /nfs/dbraw/zinc/09/83/24/918098324.db2.gz VASCTTWBGDBVHV-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)N(C)C ZINC001485373701 918098344 /nfs/dbraw/zinc/09/83/44/918098344.db2.gz VASCTTWBGDBVHV-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)N(C)C ZINC001485373701 918098359 /nfs/dbraw/zinc/09/83/59/918098359.db2.gz VASCTTWBGDBVHV-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@@H]1CCNC1=O ZINC001485371446 918101119 /nfs/dbraw/zinc/10/11/19/918101119.db2.gz WRETUROFYQNQTN-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC001485371446 918101123 /nfs/dbraw/zinc/10/11/23/918101123.db2.gz WRETUROFYQNQTN-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001485371446 918101131 /nfs/dbraw/zinc/10/11/31/918101131.db2.gz WRETUROFYQNQTN-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)N(C)C ZINC001485373702 918101270 /nfs/dbraw/zinc/10/12/70/918101270.db2.gz VASCTTWBGDBVHV-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)N(C)C ZINC001485373702 918101273 /nfs/dbraw/zinc/10/12/73/918101273.db2.gz VASCTTWBGDBVHV-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)N(C)C ZINC001485373702 918101286 /nfs/dbraw/zinc/10/12/86/918101286.db2.gz VASCTTWBGDBVHV-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)N(C)C ZINC001485373702 918101294 /nfs/dbraw/zinc/10/12/94/918101294.db2.gz VASCTTWBGDBVHV-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC(=O)N(C)C ZINC001485376172 918102461 /nfs/dbraw/zinc/10/24/61/918102461.db2.gz RBUCIRZSZJKJJU-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC(=O)N(C)C ZINC001485376172 918102469 /nfs/dbraw/zinc/10/24/69/918102469.db2.gz RBUCIRZSZJKJJU-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC001485376172 918102484 /nfs/dbraw/zinc/10/24/84/918102484.db2.gz RBUCIRZSZJKJJU-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001485376172 918102493 /nfs/dbraw/zinc/10/24/93/918102493.db2.gz RBUCIRZSZJKJJU-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC001485615014 918153574 /nfs/dbraw/zinc/15/35/74/918153574.db2.gz VDRYYDMEILMOPW-CNDDSTCGSA-N 2 1 294.399 -0.893 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001485621761 918158451 /nfs/dbraw/zinc/15/84/51/918158451.db2.gz ZMNUTYPUPZXYIE-ZSOGYDGISA-N 2 1 299.390 -0.028 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001485621761 918158459 /nfs/dbraw/zinc/15/84/59/918158459.db2.gz ZMNUTYPUPZXYIE-ZSOGYDGISA-N 2 1 299.390 -0.028 20 0 CBADMP CCC[N@H+](C)CCOCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001485769857 918180477 /nfs/dbraw/zinc/18/04/77/918180477.db2.gz JSHZNAKALHMSIG-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CCC[N@@H+](C)CCOCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001485769857 918180486 /nfs/dbraw/zinc/18/04/86/918180486.db2.gz JSHZNAKALHMSIG-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CCC[NH+](C)CCOCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485769857 918180492 /nfs/dbraw/zinc/18/04/92/918180492.db2.gz JSHZNAKALHMSIG-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CCC[NH+](C)CCOCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485769857 918180502 /nfs/dbraw/zinc/18/05/02/918180502.db2.gz JSHZNAKALHMSIG-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001485754998 918183435 /nfs/dbraw/zinc/18/34/35/918183435.db2.gz WNQKFKDHZNBKGD-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001485754998 918183440 /nfs/dbraw/zinc/18/34/40/918183440.db2.gz WNQKFKDHZNBKGD-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001485754998 918183448 /nfs/dbraw/zinc/18/34/48/918183448.db2.gz WNQKFKDHZNBKGD-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+](C)CCOCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001485775289 918185878 /nfs/dbraw/zinc/18/58/78/918185878.db2.gz CSMDEZYGOOXWDN-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[N@@H+](C)CCOCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001485775289 918185892 /nfs/dbraw/zinc/18/58/92/918185892.db2.gz CSMDEZYGOOXWDN-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+](C)CCOCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001485775289 918185898 /nfs/dbraw/zinc/18/58/98/918185898.db2.gz CSMDEZYGOOXWDN-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+](C)CCOCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001485775289 918185909 /nfs/dbraw/zinc/18/59/09/918185909.db2.gz CSMDEZYGOOXWDN-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP C[C@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H](C)C(N)=O ZINC001485881289 918216911 /nfs/dbraw/zinc/21/69/11/918216911.db2.gz FGZMIMIBSCKCLO-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1cnn(C)n1 ZINC001485955035 918239000 /nfs/dbraw/zinc/23/90/00/918239000.db2.gz CYAYMJVAECVTTC-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001485954935 918241195 /nfs/dbraw/zinc/24/11/95/918241195.db2.gz BIHIHTOILRBCPT-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485982258 918276269 /nfs/dbraw/zinc/27/62/69/918276269.db2.gz KEXZVYQROXWTRB-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485982258 918276286 /nfs/dbraw/zinc/27/62/86/918276286.db2.gz KEXZVYQROXWTRB-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485982255 918277520 /nfs/dbraw/zinc/27/75/20/918277520.db2.gz KEXZVYQROXWTRB-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485982255 918277537 /nfs/dbraw/zinc/27/75/37/918277537.db2.gz KEXZVYQROXWTRB-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001486220091 918385999 /nfs/dbraw/zinc/38/59/99/918385999.db2.gz XNQVLNPJGSACRK-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP COCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001486286383 918410691 /nfs/dbraw/zinc/41/06/91/918410691.db2.gz VBTXHKYBAQREHC-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001486286381 918410880 /nfs/dbraw/zinc/41/08/80/918410880.db2.gz VBTXHKYBAQREHC-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001486475319 918470196 /nfs/dbraw/zinc/47/01/96/918470196.db2.gz JLLZRNPHBWUBHF-UHFFFAOYSA-N 2 1 295.391 -0.759 20 0 CBADMP CN(CCOCC[NH2+]CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001486494237 918476118 /nfs/dbraw/zinc/47/61/18/918476118.db2.gz CWKXDEKPJPYJOI-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CCOCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001488821406 918771849 /nfs/dbraw/zinc/77/18/49/918771849.db2.gz SBRKMZWVXWNGEH-IHRRRGAJSA-N 2 1 299.415 -0.162 20 0 CBADMP CCOCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001488821406 918771861 /nfs/dbraw/zinc/77/18/61/918771861.db2.gz SBRKMZWVXWNGEH-IHRRRGAJSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001490213030 918864552 /nfs/dbraw/zinc/86/45/52/918864552.db2.gz BFTNSJOFAAQBGC-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001490213030 918864567 /nfs/dbraw/zinc/86/45/67/918864567.db2.gz BFTNSJOFAAQBGC-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001490213030 918864582 /nfs/dbraw/zinc/86/45/82/918864582.db2.gz BFTNSJOFAAQBGC-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)N1CCC1 ZINC001490232788 918872296 /nfs/dbraw/zinc/87/22/96/918872296.db2.gz HHDGNFVTAAVIKA-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)N1CCC1 ZINC001490232788 918872305 /nfs/dbraw/zinc/87/23/05/918872305.db2.gz HHDGNFVTAAVIKA-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)N1CCC1 ZINC001490232788 918872316 /nfs/dbraw/zinc/87/23/16/918872316.db2.gz HHDGNFVTAAVIKA-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC ZINC001490341354 918896384 /nfs/dbraw/zinc/89/63/84/918896384.db2.gz NUEHGOQKZQQNRX-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)NC ZINC001490341354 918896395 /nfs/dbraw/zinc/89/63/95/918896395.db2.gz NUEHGOQKZQQNRX-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)NC ZINC001490341354 918896405 /nfs/dbraw/zinc/89/64/05/918896405.db2.gz NUEHGOQKZQQNRX-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001490606546 918944324 /nfs/dbraw/zinc/94/43/24/918944324.db2.gz UPVKUHWFNQAHBX-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CCF)C2CC2)C1 ZINC001490649460 918953220 /nfs/dbraw/zinc/95/32/20/918953220.db2.gz SXHSOAXLMVJXDZ-NEPJUHHUSA-N 2 1 273.352 -0.229 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CCF)C2CC2)C1 ZINC001490649460 918953233 /nfs/dbraw/zinc/95/32/33/918953233.db2.gz SXHSOAXLMVJXDZ-NEPJUHHUSA-N 2 1 273.352 -0.229 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001490739392 918967921 /nfs/dbraw/zinc/96/79/21/918967921.db2.gz GVDJLPPUKBWUTK-LBPRGKRZSA-N 2 1 293.371 -0.578 20 0 CBADMP CC(C)OCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001490820288 918975735 /nfs/dbraw/zinc/97/57/35/918975735.db2.gz ZRKAPDBCHDMKNK-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)OCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001490820288 918975752 /nfs/dbraw/zinc/97/57/52/918975752.db2.gz ZRKAPDBCHDMKNK-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001490950052 918993523 /nfs/dbraw/zinc/99/35/23/918993523.db2.gz XDEYCDRXCLZXAE-AVGNSLFASA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001491110562 919040084 /nfs/dbraw/zinc/04/00/84/919040084.db2.gz IDWYTHXZDLCCCI-OCCSQVGLSA-N 2 1 298.431 -0.114 20 0 CBADMP CNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001491223172 919082752 /nfs/dbraw/zinc/08/27/52/919082752.db2.gz DCQHLOHSMMKGMP-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001491223172 919082761 /nfs/dbraw/zinc/08/27/61/919082761.db2.gz DCQHLOHSMMKGMP-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001491318616 919113491 /nfs/dbraw/zinc/11/34/91/919113491.db2.gz UEVBSODVGHWLTB-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001491318616 919113499 /nfs/dbraw/zinc/11/34/99/919113499.db2.gz UEVBSODVGHWLTB-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001491318616 919113520 /nfs/dbraw/zinc/11/35/20/919113520.db2.gz UEVBSODVGHWLTB-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CCNC(=O)C1CC1 ZINC001491415865 919150450 /nfs/dbraw/zinc/15/04/50/919150450.db2.gz UWNZWCNDDJURHM-AAEUAGOBSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001491460336 919170419 /nfs/dbraw/zinc/17/04/19/919170419.db2.gz BXAJFNNZKCTICG-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H](C(=O)NCCNC(=O)Cn1c[nH+]cc1C)[NH+](C)C ZINC001491460943 919174050 /nfs/dbraw/zinc/17/40/50/919174050.db2.gz BLZGXDHPUSVRKB-LBPRGKRZSA-N 2 1 295.387 -0.236 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCNC(=O)[C@H]1CCC[NH+]1C ZINC001491502453 919184667 /nfs/dbraw/zinc/18/46/67/919184667.db2.gz VUJCDVNWTPWYBJ-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001491502453 919184671 /nfs/dbraw/zinc/18/46/71/919184671.db2.gz VUJCDVNWTPWYBJ-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC001491530359 919195472 /nfs/dbraw/zinc/19/54/72/919195472.db2.gz VUMJIJCLUGIONV-JQWIXIFHSA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1ncnn1C ZINC001491567731 919207994 /nfs/dbraw/zinc/20/79/94/919207994.db2.gz VYTPUXQWLAQKNY-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001491580609 919216005 /nfs/dbraw/zinc/21/60/05/919216005.db2.gz VNMRHWPWHHGBLT-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001491580609 919216020 /nfs/dbraw/zinc/21/60/20/919216020.db2.gz VNMRHWPWHHGBLT-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001491580606 919216545 /nfs/dbraw/zinc/21/65/45/919216545.db2.gz VNMRHWPWHHGBLT-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001491580606 919216556 /nfs/dbraw/zinc/21/65/56/919216556.db2.gz VNMRHWPWHHGBLT-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001491672254 919250110 /nfs/dbraw/zinc/25/01/10/919250110.db2.gz GBMWBZPRAPKVQT-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cncn1C ZINC001491674240 919252517 /nfs/dbraw/zinc/25/25/17/919252517.db2.gz SXJCKFGGEMWUNS-NWDGAFQWSA-N 2 1 279.388 -0.034 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CCCO)C2)C1 ZINC001491795135 919282692 /nfs/dbraw/zinc/28/26/92/919282692.db2.gz PMKJBRQVVCNCEL-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CCCO)C2)C1 ZINC001491795135 919282708 /nfs/dbraw/zinc/28/27/08/919282708.db2.gz PMKJBRQVVCNCEL-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001491813987 919285166 /nfs/dbraw/zinc/28/51/66/919285166.db2.gz FSVWAWFDQVLBFL-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@H](C[NH2+]CCO)C1 ZINC001491837779 919287495 /nfs/dbraw/zinc/28/74/95/919287495.db2.gz FLUWCNGUAGMFMN-ZDUSSCGKSA-N 2 1 285.388 -0.861 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001491856341 919292711 /nfs/dbraw/zinc/29/27/11/919292711.db2.gz LTGUZAVCIGVFAM-ZYHUDNBSSA-N 2 1 293.371 -0.497 20 0 CBADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001492083980 919323504 /nfs/dbraw/zinc/32/35/04/919323504.db2.gz PQSHEYBIHCZOQR-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001492128414 919328131 /nfs/dbraw/zinc/32/81/31/919328131.db2.gz SSGALYXSDVCAHA-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CCOCC[N@@H+](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001492220421 919364430 /nfs/dbraw/zinc/36/44/30/919364430.db2.gz IHDHRSUONZDFHJ-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CCOCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492220421 919364445 /nfs/dbraw/zinc/36/44/45/919364445.db2.gz IHDHRSUONZDFHJ-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CCOCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492220421 919364457 /nfs/dbraw/zinc/36/44/57/919364457.db2.gz IHDHRSUONZDFHJ-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CCOCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001492220421 919364481 /nfs/dbraw/zinc/36/44/81/919364481.db2.gz IHDHRSUONZDFHJ-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@@H](C)C(N)=O ZINC001493023410 919468119 /nfs/dbraw/zinc/46/81/19/919468119.db2.gz WBWYYWCFECQVAI-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@@H](C)C(N)=O ZINC001493023410 919468135 /nfs/dbraw/zinc/46/81/35/919468135.db2.gz WBWYYWCFECQVAI-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[C@@H](C)C(N)=O ZINC001493023410 919468147 /nfs/dbraw/zinc/46/81/47/919468147.db2.gz WBWYYWCFECQVAI-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[C@@H](C)C(N)=O ZINC001493023410 919468158 /nfs/dbraw/zinc/46/81/58/919468158.db2.gz WBWYYWCFECQVAI-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001493059061 919473477 /nfs/dbraw/zinc/47/34/77/919473477.db2.gz VEAFKGPVFIGGBQ-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493059061 919473482 /nfs/dbraw/zinc/47/34/82/919473482.db2.gz VEAFKGPVFIGGBQ-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001493059061 919473487 /nfs/dbraw/zinc/47/34/87/919473487.db2.gz VEAFKGPVFIGGBQ-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001493111910 919478124 /nfs/dbraw/zinc/47/81/24/919478124.db2.gz UMZZSBFVBKXJMY-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001493111910 919478132 /nfs/dbraw/zinc/47/81/32/919478132.db2.gz UMZZSBFVBKXJMY-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001493111910 919478138 /nfs/dbraw/zinc/47/81/38/919478138.db2.gz UMZZSBFVBKXJMY-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001493111910 919478145 /nfs/dbraw/zinc/47/81/45/919478145.db2.gz UMZZSBFVBKXJMY-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001493236933 919509843 /nfs/dbraw/zinc/50/98/43/919509843.db2.gz OCQVLQCIEOERMP-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001493236933 919509854 /nfs/dbraw/zinc/50/98/54/919509854.db2.gz OCQVLQCIEOERMP-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001493236933 919509858 /nfs/dbraw/zinc/50/98/58/919509858.db2.gz OCQVLQCIEOERMP-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001493258712 919512516 /nfs/dbraw/zinc/51/25/16/919512516.db2.gz GQDOSUKJRMGTQJ-OLZOCXBDSA-N 2 1 294.399 -0.591 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001493261980 919515119 /nfs/dbraw/zinc/51/51/19/919515119.db2.gz CGXJPPKXKNJDFI-GFCCVEGCSA-N 2 1 293.371 -0.624 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001493261980 919515133 /nfs/dbraw/zinc/51/51/33/919515133.db2.gz CGXJPPKXKNJDFI-GFCCVEGCSA-N 2 1 293.371 -0.624 20 0 CBADMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)CC(=O)NC ZINC001493318349 919522724 /nfs/dbraw/zinc/52/27/24/919522724.db2.gz RDIXKYRQOGHBJP-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CC(=O)NC ZINC001493318349 919522703 /nfs/dbraw/zinc/52/27/03/919522703.db2.gz RDIXKYRQOGHBJP-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CC(=O)NC ZINC001493318349 919522715 /nfs/dbraw/zinc/52/27/15/919522715.db2.gz RDIXKYRQOGHBJP-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)CC(=O)NC ZINC001493318349 919522732 /nfs/dbraw/zinc/52/27/32/919522732.db2.gz RDIXKYRQOGHBJP-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001493929855 919636420 /nfs/dbraw/zinc/63/64/20/919636420.db2.gz ZRSLPWRBTOEDFV-BETUJISGSA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001493929855 919636428 /nfs/dbraw/zinc/63/64/28/919636428.db2.gz ZRSLPWRBTOEDFV-BETUJISGSA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001493929855 919636440 /nfs/dbraw/zinc/63/64/40/919636440.db2.gz ZRSLPWRBTOEDFV-BETUJISGSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001494206521 919671091 /nfs/dbraw/zinc/67/10/91/919671091.db2.gz NNZKQYBTXLGWGU-LBPRGKRZSA-N 2 1 298.431 -0.018 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001494847001 919800507 /nfs/dbraw/zinc/80/05/07/919800507.db2.gz LFNCAAAPIUSRCJ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001494847001 919800519 /nfs/dbraw/zinc/80/05/19/919800519.db2.gz LFNCAAAPIUSRCJ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001494849144 919801015 /nfs/dbraw/zinc/80/10/15/919801015.db2.gz WMIWBKCUASFHQT-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001494842558 919803542 /nfs/dbraw/zinc/80/35/42/919803542.db2.gz RCDGWJMBDVBNIM-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001494842558 919803551 /nfs/dbraw/zinc/80/35/51/919803551.db2.gz RCDGWJMBDVBNIM-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@@H](C)C(N)=O ZINC001495110431 919863726 /nfs/dbraw/zinc/86/37/26/919863726.db2.gz XNCCDRQGSOGBPR-GXSJLCMTSA-N 2 1 281.360 -0.450 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001495234888 919878414 /nfs/dbraw/zinc/87/84/14/919878414.db2.gz QYBIPGRGSWRSBJ-FZMZJTMJSA-N 2 1 282.388 -0.560 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001495542241 919902291 /nfs/dbraw/zinc/90/22/91/919902291.db2.gz IGFLFHUJFIKPPS-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]CCCO ZINC001495636259 919917509 /nfs/dbraw/zinc/91/75/09/919917509.db2.gz XILJNORYRYONAC-VXGBXAGGSA-N 2 1 273.377 -0.959 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]CCCO ZINC001495636259 919917511 /nfs/dbraw/zinc/91/75/11/919917511.db2.gz XILJNORYRYONAC-VXGBXAGGSA-N 2 1 273.377 -0.959 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001495813582 919954066 /nfs/dbraw/zinc/95/40/66/919954066.db2.gz NLVZTAABGNWHCW-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP CCOCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496979272 920189893 /nfs/dbraw/zinc/18/98/93/920189893.db2.gz PPPBKQBMDDECRZ-JHJVBQTASA-N 2 1 287.404 -0.570 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001497016058 920207046 /nfs/dbraw/zinc/20/70/46/920207046.db2.gz BPXSACJUBSCTPM-CHWSQXEVSA-N 2 1 296.371 -0.705 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001497053742 920231408 /nfs/dbraw/zinc/23/14/08/920231408.db2.gz LBJXXDPCQBEGGX-YPMHNXCESA-N 2 1 269.389 -0.195 20 0 CBADMP CCC[NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001497075543 920238909 /nfs/dbraw/zinc/23/89/09/920238909.db2.gz JUBNUVFDVUUVHN-GFCCVEGCSA-N 2 1 273.377 -0.815 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001497113225 920253315 /nfs/dbraw/zinc/25/33/15/920253315.db2.gz IEZLIQPHDAEBPR-RYUDHWBXSA-N 2 1 255.362 -0.585 20 0 CBADMP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001497154520 920263302 /nfs/dbraw/zinc/26/33/02/920263302.db2.gz LDURYXBJWACMJZ-NXEZZACHSA-N 2 1 256.350 -0.950 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]CC(N)=O ZINC001497334503 920285852 /nfs/dbraw/zinc/28/58/52/920285852.db2.gz YEOJWXGLAWHOJN-JTQLQIEISA-N 2 1 258.366 -0.704 20 0 CBADMP CCN(CC[NH2+][C@H](C)COC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001497368290 920292770 /nfs/dbraw/zinc/29/27/70/920292770.db2.gz XKCFBZILOVUWCI-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CCN(CC[NH2+][C@H](C)COC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001497368290 920292788 /nfs/dbraw/zinc/29/27/88/920292788.db2.gz XKCFBZILOVUWCI-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CC[N@@H+](C)CC ZINC001497478118 920310965 /nfs/dbraw/zinc/31/09/65/920310965.db2.gz RRZVMVDZHHMAFY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001497484136 920312651 /nfs/dbraw/zinc/31/26/51/920312651.db2.gz HKSDNLRWFUZONW-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CCO)CC[N@H+]1C ZINC001497585576 920348584 /nfs/dbraw/zinc/34/85/84/920348584.db2.gz KLANNBXNUQMYEW-BLDJZWNYSA-N 2 1 255.362 -0.419 20 0 CBADMP C[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001497650082 920359420 /nfs/dbraw/zinc/35/94/20/920359420.db2.gz NNPWIWQCXZOUFU-RRNNCXACSA-N 2 1 255.362 -0.277 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC/C=C/C[NH2+]CCCO ZINC001497638805 920360189 /nfs/dbraw/zinc/36/01/89/920360189.db2.gz HPHWMJAXTTYXOJ-NSCUHMNNSA-N 2 1 266.345 -0.164 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001497651651 920363965 /nfs/dbraw/zinc/36/39/65/920363965.db2.gz XRILXXVNWKLTCD-GKUNOOHESA-N 2 1 282.388 -0.523 20 0 CBADMP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001497829451 920403634 /nfs/dbraw/zinc/40/36/34/920403634.db2.gz NGYAMTDDOYZFBU-YPMHNXCESA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001497878676 920413585 /nfs/dbraw/zinc/41/35/85/920413585.db2.gz XQVTZZZEXNINHF-OUAUKWLOSA-N 2 1 268.361 -0.937 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001497994252 920438303 /nfs/dbraw/zinc/43/83/03/920438303.db2.gz YUJZOLREJRQPKJ-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001498051068 920464981 /nfs/dbraw/zinc/46/49/81/920464981.db2.gz MIRJODGGMWBGGT-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001498064089 920468316 /nfs/dbraw/zinc/46/83/16/920468316.db2.gz GXUYOWHHPOCKOC-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)CC2 ZINC001498097193 920479236 /nfs/dbraw/zinc/47/92/36/920479236.db2.gz ZVXIFWOLFVLZQN-ONGXEEELSA-N 2 1 293.371 -0.666 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001498369397 920567296 /nfs/dbraw/zinc/56/72/96/920567296.db2.gz MWBGVDIKZGFODX-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001498369397 920567311 /nfs/dbraw/zinc/56/73/11/920567311.db2.gz MWBGVDIKZGFODX-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)C(N)=O ZINC001498432949 920581876 /nfs/dbraw/zinc/58/18/76/920581876.db2.gz ATTRIAIGLMXPAD-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)C(N)=O ZINC001498432949 920581888 /nfs/dbraw/zinc/58/18/88/920581888.db2.gz ATTRIAIGLMXPAD-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001498432949 920581902 /nfs/dbraw/zinc/58/19/02/920581902.db2.gz ATTRIAIGLMXPAD-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001498432949 920581915 /nfs/dbraw/zinc/58/19/15/920581915.db2.gz ATTRIAIGLMXPAD-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001498449909 920589396 /nfs/dbraw/zinc/58/93/96/920589396.db2.gz IWYXMAMHXLKUAR-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001498449909 920589403 /nfs/dbraw/zinc/58/94/03/920589403.db2.gz IWYXMAMHXLKUAR-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498449909 920589413 /nfs/dbraw/zinc/58/94/13/920589413.db2.gz IWYXMAMHXLKUAR-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001498449909 920589430 /nfs/dbraw/zinc/58/94/30/920589430.db2.gz IWYXMAMHXLKUAR-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001498758191 920635982 /nfs/dbraw/zinc/63/59/82/920635982.db2.gz GUYROHGLPOMQDL-RAIGVLPGSA-N 2 1 296.415 -0.443 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C[NH2+]CCO)C1CC1 ZINC001498788148 920638969 /nfs/dbraw/zinc/63/89/69/920638969.db2.gz CJFCBABTWHUIKL-GFCCVEGCSA-N 2 1 266.345 -0.332 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C[NH2+][C@H](C)C(N)=O)C1CC1 ZINC001498788129 920639619 /nfs/dbraw/zinc/63/96/19/920639619.db2.gz CEZZWJPMYLOSBS-ZYHUDNBSSA-N 2 1 293.371 -0.450 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C[NH2+]CCO)C1CC1 ZINC001498863747 920650417 /nfs/dbraw/zinc/65/04/17/920650417.db2.gz NGEHJDARERRIGS-GFCCVEGCSA-N 2 1 266.345 -0.332 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001499230854 920726173 /nfs/dbraw/zinc/72/61/73/920726173.db2.gz KQMYXUFUJXQWLQ-QJPTWQEYSA-N 2 1 269.389 -0.054 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001499266802 920729780 /nfs/dbraw/zinc/72/97/80/920729780.db2.gz NRLKAUZACUHJGG-VXGBXAGGSA-N 2 1 294.399 -0.402 20 0 CBADMP CNC(=O)C[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001500007683 920793544 /nfs/dbraw/zinc/79/35/44/920793544.db2.gz YCZFRMYQTLBZJW-UHFFFAOYSA-N 2 1 296.415 -0.201 20 0 CBADMP CN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001500258729 920821694 /nfs/dbraw/zinc/82/16/94/920821694.db2.gz WNRDUYPKVSGEGP-DOMZBBRYSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001500259055 920822659 /nfs/dbraw/zinc/82/26/59/920822659.db2.gz ZMZGJQPUVJFCCJ-WFASDCNBSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001500401743 920833027 /nfs/dbraw/zinc/83/30/27/920833027.db2.gz JMXQYSFGKZYHRK-BXUZGUMPSA-N 2 1 282.388 -0.748 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001500600220 920840699 /nfs/dbraw/zinc/84/06/99/920840699.db2.gz CMORQXBBEODGQG-LBPRGKRZSA-N 2 1 285.388 -0.815 20 0 CBADMP CCC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001500739999 920871042 /nfs/dbraw/zinc/87/10/42/920871042.db2.gz GDNQUOPXSDJDMD-OAHLLOKOSA-N 2 1 299.415 -0.328 20 0 CBADMP CCC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001500739999 920871052 /nfs/dbraw/zinc/87/10/52/920871052.db2.gz GDNQUOPXSDJDMD-OAHLLOKOSA-N 2 1 299.415 -0.328 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(=O)NC)C1 ZINC001501083427 920946580 /nfs/dbraw/zinc/94/65/80/920946580.db2.gz IDFVBRGOOSHXHI-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH2+]CCN(CCO)C(=O)CC[NH+]1CCOCC1 ZINC001501499436 921033415 /nfs/dbraw/zinc/03/34/15/921033415.db2.gz IAJGNOKNDDZFDV-UHFFFAOYSA-N 2 1 273.377 -0.861 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001507335811 921812406 /nfs/dbraw/zinc/81/24/06/921812406.db2.gz ZBHGVYHXADQHCE-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001507601778 921878917 /nfs/dbraw/zinc/87/89/17/921878917.db2.gz BFCMICIYYYQLHD-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001507601778 921878931 /nfs/dbraw/zinc/87/89/31/921878931.db2.gz BFCMICIYYYQLHD-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001507601778 921878943 /nfs/dbraw/zinc/87/89/43/921878943.db2.gz BFCMICIYYYQLHD-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001507601778 921878948 /nfs/dbraw/zinc/87/89/48/921878948.db2.gz BFCMICIYYYQLHD-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP COCC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@H](C)O ZINC001508055869 921910667 /nfs/dbraw/zinc/91/06/67/921910667.db2.gz NHTKEWYUAICRSE-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP COC[C@@H]1C[NH2+]CCN1C(=O)Cn1c[nH+]cc1C ZINC001514598582 922209801 /nfs/dbraw/zinc/20/98/01/922209801.db2.gz YUPRTHTUXKXCQO-NSHDSACASA-N 2 1 252.318 -0.362 20 0 CBADMP C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)[C@H]1C[N@@H+](C)CCN1C ZINC001515357031 922229943 /nfs/dbraw/zinc/22/99/43/922229943.db2.gz FKGGQJCSDHYVGN-YRGRVCCFSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)CC1CC([NH3+])C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001515359814 922231025 /nfs/dbraw/zinc/23/10/25/922231025.db2.gz QUDYWKIRDNIPGO-WTIISPKJSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H](NC(=O)CC1CC([NH3+])C1)[C@@H]1CN(C)CCN1C ZINC001515359814 922231039 /nfs/dbraw/zinc/23/10/39/922231039.db2.gz QUDYWKIRDNIPGO-WTIISPKJSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H](NC(=O)CC1CC([NH3+])C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001515359814 922231055 /nfs/dbraw/zinc/23/10/55/922231055.db2.gz QUDYWKIRDNIPGO-WTIISPKJSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H](NC(=O)CC1CC([NH3+])C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001515359814 922231072 /nfs/dbraw/zinc/23/10/72/922231072.db2.gz QUDYWKIRDNIPGO-WTIISPKJSA-N 2 1 268.405 -0.136 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)C1CC1 ZINC001521469855 922358692 /nfs/dbraw/zinc/35/86/92/922358692.db2.gz LGXLOXOLYKSSOB-CYBMUJFWSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H](O)C[NH2+]1 ZINC001521438172 922358743 /nfs/dbraw/zinc/35/87/43/922358743.db2.gz BPWDAJHVSUJABR-NRWUCQMLSA-N 2 1 267.373 -0.158 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001521504429 922363441 /nfs/dbraw/zinc/36/34/41/922363441.db2.gz SHZBLTTVVBZXHF-WUHRBBMRSA-N 2 1 266.389 -0.511 20 0 CBADMP C[NH2+]C1CC(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC001521610786 922368040 /nfs/dbraw/zinc/36/80/40/922368040.db2.gz KDXNLWCPYFBADP-UHFFFAOYSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1([NH+](C)C)CC1 ZINC001521666490 922374668 /nfs/dbraw/zinc/37/46/68/922374668.db2.gz LNTAYWRLASASPP-VXGBXAGGSA-N 2 1 266.389 -0.415 20 0 CBADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001522084489 922397097 /nfs/dbraw/zinc/39/70/97/922397097.db2.gz QEHBNCUPAFHOLX-UTUOFQBUSA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C[C@H](O)C[NH3+] ZINC001522344741 922406384 /nfs/dbraw/zinc/40/63/84/922406384.db2.gz YIYJZUCYGUGYDZ-WCQYABFASA-N 2 1 263.341 -0.001 20 0 CBADMP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C[C@H](O)C[NH3+] ZINC001522344741 922406389 /nfs/dbraw/zinc/40/63/89/922406389.db2.gz YIYJZUCYGUGYDZ-WCQYABFASA-N 2 1 263.341 -0.001 20 0 CBADMP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C[C@@H](O)C[NH3+] ZINC001522344740 922408280 /nfs/dbraw/zinc/40/82/80/922408280.db2.gz YIYJZUCYGUGYDZ-DGCLKSJQSA-N 2 1 263.341 -0.001 20 0 CBADMP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C[C@@H](O)C[NH3+] ZINC001522344740 922408285 /nfs/dbraw/zinc/40/82/85/922408285.db2.gz YIYJZUCYGUGYDZ-DGCLKSJQSA-N 2 1 263.341 -0.001 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCCC[C@H]1C[NH3+] ZINC001522444912 922416897 /nfs/dbraw/zinc/41/68/97/922416897.db2.gz IFJCNKVFBHLYFH-RWMBFGLXSA-N 2 1 266.389 -0.286 20 0 CBADMP C[NH+](C)CCC(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001522653635 922496363 /nfs/dbraw/zinc/49/63/63/922496363.db2.gz KOODOAJWZXVDQQ-LLVKDONJSA-N 2 1 270.377 -0.878 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])C[C@]2(C)C1 ZINC001523448551 922593568 /nfs/dbraw/zinc/59/35/68/922593568.db2.gz OCGQOTXDTDVTHX-BYNQJWBRSA-N 2 1 267.373 -0.240 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001523507117 922597936 /nfs/dbraw/zinc/59/79/36/922597936.db2.gz JGPSEEQZOMELLL-NZEXEKPDSA-N 2 1 264.373 -0.616 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001524028540 922613989 /nfs/dbraw/zinc/61/39/89/922613989.db2.gz CFKFMTFTWWYTQB-SDDRHHMPSA-N 2 1 256.394 -0.408 20 0 CBADMP C[C@@H](C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH+](C)CC1 ZINC001524120599 922620669 /nfs/dbraw/zinc/62/06/69/922620669.db2.gz YEBUQIARNPEFJS-WUHRBBMRSA-N 2 1 266.389 -0.702 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001548547973 923372580 /nfs/dbraw/zinc/37/25/80/923372580.db2.gz LSWREQPMQCBHSH-QWHCGFSZSA-N 2 1 268.405 -0.119 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC001548553723 923377466 /nfs/dbraw/zinc/37/74/66/923377466.db2.gz OEVGXTWUDPQTEW-CHWSQXEVSA-N 2 1 285.388 -0.591 20 0 CBADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C[C@H](O)C[NH3+] ZINC001548557635 923380329 /nfs/dbraw/zinc/38/03/29/923380329.db2.gz JEPYSZAGTSKVDC-WCQYABFASA-N 2 1 293.367 -0.122 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001548640573 923420168 /nfs/dbraw/zinc/42/01/68/923420168.db2.gz WXIHGWSBIYRIIX-MCIONIFRSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC001548638125 923422954 /nfs/dbraw/zinc/42/29/54/923422954.db2.gz IASUYXWSIFTDNQ-MCIONIFRSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC001548643461 923425519 /nfs/dbraw/zinc/42/55/19/923425519.db2.gz LSUUJEMEGXTQEO-MCIONIFRSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC001548643461 923425530 /nfs/dbraw/zinc/42/55/30/923425530.db2.gz LSUUJEMEGXTQEO-MCIONIFRSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001548643461 923425537 /nfs/dbraw/zinc/42/55/37/923425537.db2.gz LSUUJEMEGXTQEO-MCIONIFRSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC001548644742 923426451 /nfs/dbraw/zinc/42/64/51/923426451.db2.gz WBINMDPLKRTHTN-YUELXQCFSA-N 2 1 292.427 -0.073 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC001548643457 923427714 /nfs/dbraw/zinc/42/77/14/923427714.db2.gz LSUUJEMEGXTQEO-HZSPNIEDSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC001548643457 923427729 /nfs/dbraw/zinc/42/77/29/923427729.db2.gz LSUUJEMEGXTQEO-HZSPNIEDSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001548643457 923427747 /nfs/dbraw/zinc/42/77/47/923427747.db2.gz LSUUJEMEGXTQEO-HZSPNIEDSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001548645011 923428661 /nfs/dbraw/zinc/42/86/61/923428661.db2.gz WXZLFTWFTXQPKL-OCCSQVGLSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)CC[N@H+]1C ZINC001548653221 923430969 /nfs/dbraw/zinc/43/09/69/923430969.db2.gz BWIHLKJXONHWLV-RQJABVFESA-N 2 1 280.416 -0.026 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CCCOCC1 ZINC001548689898 923456197 /nfs/dbraw/zinc/45/61/97/923456197.db2.gz IUWLKYYCRYPZMM-ZIAGYGMSSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@@H+]1CCCOCC1 ZINC001548689898 923456209 /nfs/dbraw/zinc/45/62/09/923456209.db2.gz IUWLKYYCRYPZMM-ZIAGYGMSSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@H+]1CCCOCC1 ZINC001548689898 923456220 /nfs/dbraw/zinc/45/62/20/923456220.db2.gz IUWLKYYCRYPZMM-ZIAGYGMSSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC001548716614 923472406 /nfs/dbraw/zinc/47/24/06/923472406.db2.gz VTORLDQXYUTPDD-XJFOESAGSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001548716614 923472408 /nfs/dbraw/zinc/47/24/08/923472408.db2.gz VTORLDQXYUTPDD-XJFOESAGSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001548716614 923472415 /nfs/dbraw/zinc/47/24/15/923472415.db2.gz VTORLDQXYUTPDD-XJFOESAGSA-N 2 1 278.400 -0.463 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)C[C@H](C)[N@@H+]1C ZINC001548711152 923472439 /nfs/dbraw/zinc/47/24/39/923472439.db2.gz SZNIFCNOOCJBAR-RFQIPJPRSA-N 2 1 280.416 -0.074 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)C[C@H](C)[NH+]1C ZINC001548711152 923472443 /nfs/dbraw/zinc/47/24/43/923472443.db2.gz SZNIFCNOOCJBAR-RFQIPJPRSA-N 2 1 280.416 -0.074 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)C[C@H](C)[NH+]1C ZINC001548711152 923472447 /nfs/dbraw/zinc/47/24/47/923472447.db2.gz SZNIFCNOOCJBAR-RFQIPJPRSA-N 2 1 280.416 -0.074 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC([NH+]2CCCC2)C1 ZINC001548726935 923480809 /nfs/dbraw/zinc/48/08/09/923480809.db2.gz AIKYZBNBARISAG-OCCSQVGLSA-N 2 1 278.400 -0.319 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@](O)(C[NH+](C)C)C2)C1 ZINC001548745576 923490282 /nfs/dbraw/zinc/49/02/82/923490282.db2.gz DYPKJJZZOIJUKR-OCCSQVGLSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@](O)(C[NH+](C)C)C2)C1 ZINC001548745576 923490289 /nfs/dbraw/zinc/49/02/89/923490289.db2.gz DYPKJJZZOIJUKR-OCCSQVGLSA-N 2 1 285.388 -0.768 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)C1 ZINC001548750703 923494058 /nfs/dbraw/zinc/49/40/58/923494058.db2.gz NRMJVIFIXHHFBJ-OAHLLOKOSA-N 2 1 298.431 -0.995 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC001549045222 923540404 /nfs/dbraw/zinc/54/04/04/923540404.db2.gz ORSAIVRSGAQQKF-NWDGAFQWSA-N 2 1 277.372 -0.107 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001549045491 923540469 /nfs/dbraw/zinc/54/04/69/923540469.db2.gz ALQUXZLHODKZSG-NTSWFWBYSA-N 2 1 283.357 -0.900 20 0 CBADMP Cn1cc([C@@H]2CN(C(=O)CC(F)(F)C[NH3+])C[C@@H]2[NH3+])cn1 ZINC001549135857 923564689 /nfs/dbraw/zinc/56/46/89/923564689.db2.gz FNFXQCZCRROPQR-UWVGGRQHSA-N 2 1 287.314 -0.343 20 0 CBADMP CN(C(=O)NC[C@H]1C[NH2+]CCCO1)[C@@H]1CC[N@@H+](C)C1 ZINC001549211095 923570935 /nfs/dbraw/zinc/57/09/35/923570935.db2.gz TYTYDBMYBDJQGU-VXGBXAGGSA-N 2 1 270.377 -0.290 20 0 CBADMP O=C(C[N@H+]1CC[C@H](CN2CCCC2=O)C1)N1CC[NH2+]CC1 ZINC001549285555 923579049 /nfs/dbraw/zinc/57/90/49/923579049.db2.gz WHBXQVICHHOBKT-ZDUSSCGKSA-N 2 1 294.399 -0.638 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1OCC[C@@H]1C[NH3+] ZINC001549292539 923579816 /nfs/dbraw/zinc/57/98/16/923579816.db2.gz BVGBHFOYPMEBKI-GRYCIOLGSA-N 2 1 293.371 -0.743 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1OCC[C@@H]1C[NH3+] ZINC001549292545 923582267 /nfs/dbraw/zinc/58/22/67/923582267.db2.gz BVGBHFOYPMEBKI-WOPDTQHZSA-N 2 1 293.371 -0.743 20 0 CBADMP COC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549301481 923589227 /nfs/dbraw/zinc/58/92/27/923589227.db2.gz RWCBQRTUYXQVNE-XQQFMLRXSA-N 2 1 297.399 -0.280 20 0 CBADMP O=C(Nc1cn[nH]c1[C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CCOC1 ZINC001549733071 923633631 /nfs/dbraw/zinc/63/36/31/923633631.db2.gz COCYMBUNZMXTEM-NXEZZACHSA-N 2 1 279.344 -0.339 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549741187 923639319 /nfs/dbraw/zinc/63/93/19/923639319.db2.gz YAOWJPJSUVXJRO-NWDGAFQWSA-N 2 1 288.355 -0.122 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC[C@@H]21 ZINC001549883200 923643717 /nfs/dbraw/zinc/64/37/17/923643717.db2.gz LENDLJLYJOKTHS-UPJWGTAASA-N 2 1 294.399 -0.593 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC001550060562 923662019 /nfs/dbraw/zinc/66/20/19/923662019.db2.gz LACCMGQZJFZBOL-WOPDTQHZSA-N 2 1 295.362 -0.159 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)CC[N@H+]1C ZINC001550096572 923677477 /nfs/dbraw/zinc/67/74/77/923677477.db2.gz LISYPGKNFMCJFW-RAIGVLPGSA-N 2 1 292.387 -0.150 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC[C@H]21 ZINC001550103516 923683236 /nfs/dbraw/zinc/68/32/36/923683236.db2.gz CNVBULBQRGMPRP-NOOOWODRSA-N 2 1 253.346 -0.738 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001550103598 923684668 /nfs/dbraw/zinc/68/46/68/923684668.db2.gz DDSWEADXCBVWBQ-RVMXOQNASA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001550103598 923684677 /nfs/dbraw/zinc/68/46/77/923684677.db2.gz DDSWEADXCBVWBQ-RVMXOQNASA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]([NH3+])CCC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001550117073 923688853 /nfs/dbraw/zinc/68/88/53/923688853.db2.gz UMEVUMYVLDSXHJ-OLZOCXBDSA-N 2 1 268.405 -0.038 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)C2)CC1 ZINC001550117103 923688888 /nfs/dbraw/zinc/68/88/88/923688888.db2.gz UZFLPTXNJQRROJ-YCPHGPKFSA-N 2 1 292.427 -0.166 20 0 CBADMP C[C@@H]([NH3+])CC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001550117163 923690752 /nfs/dbraw/zinc/69/07/52/923690752.db2.gz WQHGKVQGAURSNC-NEPJUHHUSA-N 2 1 254.378 -0.428 20 0 CBADMP CN1CCN(CC(=O)N2C[C@H]3CC[N@@H+](C)C[C@@H]3C2)CC1 ZINC001550320532 923716863 /nfs/dbraw/zinc/71/68/63/923716863.db2.gz HDLRAZAQIMKFTC-ZIAGYGMSSA-N 2 1 280.416 -0.356 20 0 CBADMP C[NH+]1CCN(CC(=O)N2C[C@H]3CC[N@H+](C)C[C@@H]3C2)CC1 ZINC001550320532 923716872 /nfs/dbraw/zinc/71/68/72/923716872.db2.gz HDLRAZAQIMKFTC-ZIAGYGMSSA-N 2 1 280.416 -0.356 20 0 CBADMP C[NH+]1CCN(CC(=O)N2C[C@H]3CC[N@@H+](C)C[C@@H]3C2)CC1 ZINC001550320532 923716880 /nfs/dbraw/zinc/71/68/80/923716880.db2.gz HDLRAZAQIMKFTC-ZIAGYGMSSA-N 2 1 280.416 -0.356 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H]1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001550349315 923719729 /nfs/dbraw/zinc/71/97/29/923719729.db2.gz MSZLUEVWXZJJNF-MCIONIFRSA-N 3 1 252.406 -0.179 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H]1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001550349315 923719736 /nfs/dbraw/zinc/71/97/36/923719736.db2.gz MSZLUEVWXZJJNF-MCIONIFRSA-N 2 1 252.406 -0.179 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@@H]2C)CC1 ZINC001550349384 923720058 /nfs/dbraw/zinc/72/00/58/923720058.db2.gz PQHPDIVOJMCASI-JSGCOSHPSA-N 2 1 296.415 -0.488 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@H+](C[C@@H]2C[NH2+]C[C@@H]2C)CC1 ZINC001550349384 923720075 /nfs/dbraw/zinc/72/00/75/923720075.db2.gz PQHPDIVOJMCASI-JSGCOSHPSA-N 2 1 296.415 -0.488 20 0 CBADMP COCCN1C(=O)N[C@@H]2C[N@H+](CC3CC([NH3+])C3)CC[C@H]21 ZINC001550704901 923738562 /nfs/dbraw/zinc/73/85/62/923738562.db2.gz PGWDGRUCOIYRMV-FIYWTHMPSA-N 2 1 282.388 -0.162 20 0 CBADMP O=C1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550915078 923753742 /nfs/dbraw/zinc/75/37/42/923753742.db2.gz ZENUJLAHBXIMNE-KCQAQPDRSA-N 3 1 280.416 -0.025 20 0 CBADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001550935061 923756735 /nfs/dbraw/zinc/75/67/35/923756735.db2.gz PBVJGFGIIXVVGZ-UPJWGTAASA-N 3 1 251.374 -0.094 20 0 CBADMP CNC(=O)[C@]12C[N@@H+](CC(C)(C)[NH3+])C[C@H]1COCC2 ZINC001551408408 923777428 /nfs/dbraw/zinc/77/74/28/923777428.db2.gz KKBWGHYPCFPFBH-GXFFZTMASA-N 2 1 255.362 -0.192 20 0 CBADMP CNC(=O)[C@@]12C[N@@H+](CC3CC([NH3+])C3)C[C@@H]1COCC2 ZINC001551412505 923779508 /nfs/dbraw/zinc/77/95/08/923779508.db2.gz VKXISGRNWQUHSL-QKVQEHJESA-N 2 1 267.373 -0.192 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)[C@H](C)C1 ZINC001551581714 923804748 /nfs/dbraw/zinc/80/47/48/923804748.db2.gz OVBSZFSFXFGJDO-CZAVRGAYSA-N 2 1 296.415 -0.037 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)C[C@@H]1C ZINC001551590977 923807599 /nfs/dbraw/zinc/80/75/99/923807599.db2.gz OCNIXVGSARQDPO-TZUXDYLNSA-N 2 1 296.415 -0.037 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552197485 923851210 /nfs/dbraw/zinc/85/12/10/923851210.db2.gz FIWYFGMRKAMZPL-WCQYABFASA-N 2 1 253.346 -0.614 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552199714 923854724 /nfs/dbraw/zinc/85/47/24/923854724.db2.gz GQMJODHPDIPOPW-NTZNESFSSA-N 2 1 253.346 -0.710 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552200453 923856211 /nfs/dbraw/zinc/85/62/11/923856211.db2.gz CLKDGBLJAFYSMI-JTNHKYCSSA-N 2 1 265.357 -0.425 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC[N@H+]1C ZINC001552201756 923860270 /nfs/dbraw/zinc/86/02/70/923860270.db2.gz WWNLOMZPAOWVRQ-GFQSEFKGSA-N 2 1 267.373 -0.179 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552201999 923862843 /nfs/dbraw/zinc/86/28/43/923862843.db2.gz ZCODSBHEOOEZBL-YRGRVCCFSA-N 2 1 267.373 -0.320 20 0 CBADMP N[C@H]1CN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C[C@H]1[NH3+] ZINC001552282194 923879765 /nfs/dbraw/zinc/87/97/65/923879765.db2.gz HYSYBOZDKBWUDW-VNHYZAJKSA-N 2 1 274.368 -0.586 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1(C)C ZINC001552280345 923880595 /nfs/dbraw/zinc/88/05/95/923880595.db2.gz AOOFXXPPZIXGMG-BXUZGUMPSA-N 2 1 267.373 -0.225 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1(C)C ZINC001552280345 923880602 /nfs/dbraw/zinc/88/06/02/923880602.db2.gz AOOFXXPPZIXGMG-BXUZGUMPSA-N 2 1 267.373 -0.225 20 0 CBADMP Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552440037 923910572 /nfs/dbraw/zinc/91/05/72/923910572.db2.gz IUWUXQXLDGQXRS-NEPJUHHUSA-N 2 1 292.387 -0.103 20 0 CBADMP [NH3+][C@@H]1COCCN(C(=O)c2cnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC001552704253 923915553 /nfs/dbraw/zinc/91/55/53/923915553.db2.gz ONSCXJCNDPPGFQ-NSHDSACASA-N 2 1 293.371 -0.324 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001552808289 923919917 /nfs/dbraw/zinc/91/99/17/923919917.db2.gz ZNZQNDXBBJFWCB-UONOGXRCSA-N 2 1 297.447 -0.032 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)N3C[C@H](N)[C@@H]([NH3+])C3)CC[C@H]21 ZINC001552961114 923926859 /nfs/dbraw/zinc/92/68/59/923926859.db2.gz RKUFTTQVYJVHKC-NOOOWODRSA-N 2 1 267.377 -0.897 20 0 CBADMP CN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001552954577 923928102 /nfs/dbraw/zinc/92/81/02/923928102.db2.gz LHMKKAUWMNXNOC-KGLIPLIRSA-N 2 1 295.431 -0.230 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001552959410 923928395 /nfs/dbraw/zinc/92/83/95/923928395.db2.gz WOFRIWGMBKDMJH-BFHYXJOUSA-N 2 1 295.431 -0.232 20 0 CBADMP N[C@H]1CN(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001552960431 923928892 /nfs/dbraw/zinc/92/88/92/923928892.db2.gz MTFHDVXUIWSXBO-MCIONIFRSA-N 2 1 295.431 -0.212 20 0 CBADMP CC[C@@H]1C(=O)N(C)CC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001553013611 923936401 /nfs/dbraw/zinc/93/64/01/923936401.db2.gz BXERXHWBIFDVLF-NWDGAFQWSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001553013611 923936408 /nfs/dbraw/zinc/93/64/08/923936408.db2.gz BXERXHWBIFDVLF-NWDGAFQWSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCC([NH3+])CC3)C[NH2+]C[C@@H]2C1 ZINC001553345822 923950314 /nfs/dbraw/zinc/95/03/14/923950314.db2.gz XRTJHHHMSCMREV-BXUZGUMPSA-N 3 1 266.389 -0.523 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)N3CCC([NH3+])CC3)C[NH2+]C[C@@H]2C1 ZINC001553345822 923950320 /nfs/dbraw/zinc/95/03/20/923950320.db2.gz XRTJHHHMSCMREV-BXUZGUMPSA-N 3 1 266.389 -0.523 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)NC3CCC([NH3+])CC3)C[NH2+]C[C@@H]2C1 ZINC001553351767 923953653 /nfs/dbraw/zinc/95/36/53/923953653.db2.gz BZHYACLZYCZVPD-XZNOPERXSA-N 3 1 280.416 -0.086 20 0 CBADMP CN1CC[C@@]2(C(=O)NC3CCC([NH3+])CC3)C[NH2+]C[C@@H]2C1 ZINC001553351767 923953661 /nfs/dbraw/zinc/95/36/61/923953661.db2.gz BZHYACLZYCZVPD-XZNOPERXSA-N 2 1 280.416 -0.086 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)C1 ZINC001553355974 923955716 /nfs/dbraw/zinc/95/57/16/923955716.db2.gz QLJGOHGIPDRWHR-GUTXKFCHSA-N 3 1 280.416 -0.262 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)C1 ZINC001553355974 923955727 /nfs/dbraw/zinc/95/57/27/923955727.db2.gz QLJGOHGIPDRWHR-GUTXKFCHSA-N 3 1 280.416 -0.262 20 0 CBADMP C[NH2+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)CC1 ZINC001553355661 923956124 /nfs/dbraw/zinc/95/61/24/923956124.db2.gz AKKJUYYCYUASSI-GOEBONIOSA-N 3 1 294.443 -0.014 20 0 CBADMP C[NH2+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)CC1 ZINC001553355661 923956136 /nfs/dbraw/zinc/95/61/36/923956136.db2.gz AKKJUYYCYUASSI-GOEBONIOSA-N 3 1 294.443 -0.014 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NCC[C@H]3CC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553352167 923956767 /nfs/dbraw/zinc/95/67/67/923956767.db2.gz GZAKOWSZSLAUJO-NFAWXSAZSA-N 3 1 280.416 -0.357 20 0 CBADMP CN1CC[C@]2(C(=O)NCC[C@H]3CC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553352167 923956781 /nfs/dbraw/zinc/95/67/81/923956781.db2.gz GZAKOWSZSLAUJO-NFAWXSAZSA-N 2 1 280.416 -0.357 20 0 CBADMP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)CC[NH2+]1 ZINC001553353524 923958120 /nfs/dbraw/zinc/95/81/20/923958120.db2.gz GAPFUADVAKGKSG-MBNYWOFBSA-N 3 1 266.389 -0.652 20 0 CBADMP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)CC[NH2+]1 ZINC001553353524 923958129 /nfs/dbraw/zinc/95/81/29/923958129.db2.gz GAPFUADVAKGKSG-MBNYWOFBSA-N 3 1 266.389 -0.652 20 0 CBADMP CN(CC(C)(C)C[NH3+])C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553358455 923959705 /nfs/dbraw/zinc/95/97/05/923959705.db2.gz HVKAFPSSTNUUMM-DOMZBBRYSA-N 3 1 282.432 -0.029 20 0 CBADMP CN(CC(C)(C)C[NH3+])C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553358455 923959713 /nfs/dbraw/zinc/95/97/13/923959713.db2.gz HVKAFPSSTNUUMM-DOMZBBRYSA-N 3 1 282.432 -0.029 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)CC[C@@H]1[NH3+] ZINC001553356687 923961953 /nfs/dbraw/zinc/96/19/53/923961953.db2.gz UIENCOURYIXOON-OSFYFWSMSA-N 3 1 280.416 -0.277 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)CC[C@@H]1[NH3+] ZINC001553356687 923961962 /nfs/dbraw/zinc/96/19/62/923961962.db2.gz UIENCOURYIXOON-OSFYFWSMSA-N 3 1 280.416 -0.277 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC(C(N)=O)CC3)C[NH2+]C[C@@H]2C1 ZINC001553362652 923963998 /nfs/dbraw/zinc/96/39/98/923963998.db2.gz DWSGQFXDYQAFQG-DOMZBBRYSA-N 2 1 294.399 -0.748 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CCC(C(N)=O)CC3)C[NH2+]C[C@@H]2C1 ZINC001553362652 923964012 /nfs/dbraw/zinc/96/40/12/923964012.db2.gz DWSGQFXDYQAFQG-DOMZBBRYSA-N 2 1 294.399 -0.748 20 0 CBADMP CN(CC(=O)NC1CC1)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553373303 923964627 /nfs/dbraw/zinc/96/46/27/923964627.db2.gz MMLQBROBLRHWBA-IAQYHMDHSA-N 2 1 294.399 -0.735 20 0 CBADMP CN(CC(=O)NC1CC1)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553373303 923964638 /nfs/dbraw/zinc/96/46/38/923964638.db2.gz MMLQBROBLRHWBA-IAQYHMDHSA-N 2 1 294.399 -0.735 20 0 CBADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCOCC3)C[NH2+]C[C@@H]2C1 ZINC001553364215 923964839 /nfs/dbraw/zinc/96/48/39/923964839.db2.gz XKRSYRSFRROFHP-DGCLKSJQSA-N 2 1 253.346 -0.614 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)N3CCOCC3)C[NH2+]C[C@@H]2C1 ZINC001553364215 923964852 /nfs/dbraw/zinc/96/48/52/923964852.db2.gz XKRSYRSFRROFHP-DGCLKSJQSA-N 2 1 253.346 -0.614 20 0 CBADMP CN(CC(=O)NC1CC1)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553373297 923965069 /nfs/dbraw/zinc/96/50/69/923965069.db2.gz MMLQBROBLRHWBA-ABAIWWIYSA-N 2 1 294.399 -0.735 20 0 CBADMP CN(CC(=O)NC1CC1)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553373297 923965086 /nfs/dbraw/zinc/96/50/86/923965086.db2.gz MMLQBROBLRHWBA-ABAIWWIYSA-N 2 1 294.399 -0.735 20 0 CBADMP CC(C)NC(=O)CN(C)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553372737 923965331 /nfs/dbraw/zinc/96/53/31/923965331.db2.gz KGKQZIDLVQDKNG-WFASDCNBSA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)NC(=O)CN(C)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553372737 923965345 /nfs/dbraw/zinc/96/53/45/923965345.db2.gz KGKQZIDLVQDKNG-WFASDCNBSA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)NC(=O)CN(C)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553372728 923966257 /nfs/dbraw/zinc/96/62/57/923966257.db2.gz KGKQZIDLVQDKNG-IUODEOHRSA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)NC(=O)CN(C)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553372728 923966268 /nfs/dbraw/zinc/96/62/68/923966268.db2.gz KGKQZIDLVQDKNG-IUODEOHRSA-N 2 1 296.415 -0.489 20 0 CBADMP CCN(CC(=O)NC)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553394622 923969066 /nfs/dbraw/zinc/96/90/66/923969066.db2.gz CMNGTQQGMPHUSY-RISCZKNCSA-N 2 1 282.388 -0.878 20 0 CBADMP CCN(CC(=O)NC)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553394622 923969074 /nfs/dbraw/zinc/96/90/74/923969074.db2.gz CMNGTQQGMPHUSY-RISCZKNCSA-N 2 1 282.388 -0.878 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)CCO1 ZINC001553378588 923969114 /nfs/dbraw/zinc/96/91/14/923969114.db2.gz VHDXSVWVWHGTOU-BZPMIXESSA-N 2 1 267.373 -0.225 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)CCO1 ZINC001553378588 923969123 /nfs/dbraw/zinc/96/91/23/923969123.db2.gz VHDXSVWVWHGTOU-BZPMIXESSA-N 2 1 267.373 -0.225 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)CCO1 ZINC001553378592 923969164 /nfs/dbraw/zinc/96/91/64/923969164.db2.gz VHDXSVWVWHGTOU-DYEKYZERSA-N 2 1 267.373 -0.225 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)CCO1 ZINC001553378592 923969174 /nfs/dbraw/zinc/96/91/74/923969174.db2.gz VHDXSVWVWHGTOU-DYEKYZERSA-N 2 1 267.373 -0.225 20 0 CBADMP CCNC(=O)CN(CC)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553401771 923971190 /nfs/dbraw/zinc/97/11/90/923971190.db2.gz ZGTBYKVNYFUPAT-WFASDCNBSA-N 2 1 296.415 -0.488 20 0 CBADMP CCNC(=O)CN(CC)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553401771 923971198 /nfs/dbraw/zinc/97/11/98/923971198.db2.gz ZGTBYKVNYFUPAT-WFASDCNBSA-N 2 1 296.415 -0.488 20 0 CBADMP Cn1nccc1CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553402127 923972069 /nfs/dbraw/zinc/97/20/69/923972069.db2.gz MFOSEFHTEDJSDG-RISCZKNCSA-N 2 1 277.372 -0.422 20 0 CBADMP Cn1cc(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)cn1 ZINC001553403423 923973732 /nfs/dbraw/zinc/97/37/32/923973732.db2.gz YWABFGDGPGKTEP-HIFRSBDPSA-N 2 1 291.399 -0.380 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@H]1C ZINC001553404472 923976897 /nfs/dbraw/zinc/97/68/97/923976897.db2.gz AIUPMPYYENGINB-BJJPWKGXSA-N 2 1 297.399 -0.581 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@H]1C ZINC001553404472 923976909 /nfs/dbraw/zinc/97/69/09/923976909.db2.gz AIUPMPYYENGINB-BJJPWKGXSA-N 2 1 297.399 -0.581 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553404279 923977162 /nfs/dbraw/zinc/97/71/62/923977162.db2.gz DEDALIQIZDETBZ-SRVKXCTJSA-N 2 1 253.346 -0.330 20 0 CBADMP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC001553404604 923977303 /nfs/dbraw/zinc/97/73/03/923977303.db2.gz AWUSKIYRIQOWQR-NDBYEHHHSA-N 2 1 265.357 -0.188 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553407838 923980986 /nfs/dbraw/zinc/98/09/86/923980986.db2.gz HYRBDSISYHVODS-VOAKCMCISA-N 2 1 267.373 -0.036 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553409373 923984380 /nfs/dbraw/zinc/98/43/80/923984380.db2.gz JXKRXHUKBDYSDK-ZDEQEGDKSA-N 2 1 283.372 -0.657 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553411975 923986111 /nfs/dbraw/zinc/98/61/11/923986111.db2.gz SIZMMURCQZUPGY-MROQNXINSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553411977 923986828 /nfs/dbraw/zinc/98/68/28/923986828.db2.gz SIZMMURCQZUPGY-NDBYEHHHSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553411980 923987532 /nfs/dbraw/zinc/98/75/32/923987532.db2.gz SIZMMURCQZUPGY-VOAKCMCISA-N 2 1 267.373 -0.036 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553410692 923988595 /nfs/dbraw/zinc/98/85/95/923988595.db2.gz QRDAKJOWCQMRBL-WISYIIOYSA-N 2 1 253.346 -0.426 20 0 CBADMP CN(C(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)[C@H]1CC[N@@H+](C)C1 ZINC001553422886 923993205 /nfs/dbraw/zinc/99/32/05/923993205.db2.gz MWMJSALUQRCJPB-USZNOCQGSA-N 2 1 253.346 -0.332 20 0 CBADMP [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@@H]1C[N@H+]3CCC[C@@H]3CO1)C2 ZINC001553447657 924001241 /nfs/dbraw/zinc/00/12/41/924001241.db2.gz VRDQQFLBLQTPCH-BHPKHCPMSA-N 2 1 294.399 -0.018 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001553450167 924002700 /nfs/dbraw/zinc/00/27/00/924002700.db2.gz OTPFXAJXFCRGJF-DZGCQCFKSA-N 2 1 295.431 -0.230 20 0 CBADMP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553492819 924009824 /nfs/dbraw/zinc/00/98/24/924009824.db2.gz APLMOFXIZGWLCZ-HZSPNIEDSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553492834 924010438 /nfs/dbraw/zinc/01/04/38/924010438.db2.gz APLMOFXIZGWLCZ-RDBSUJKOSA-N 2 1 296.415 -0.164 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553498334 924013705 /nfs/dbraw/zinc/01/37/05/924013705.db2.gz TXRVQEFKUGCGBD-AGIUHOORSA-N 2 1 284.404 -0.036 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553504959 924016230 /nfs/dbraw/zinc/01/62/30/924016230.db2.gz SYFWLYFFYPZGBH-UPJWGTAASA-N 2 1 284.404 -0.165 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553506983 924016294 /nfs/dbraw/zinc/01/62/94/924016294.db2.gz OVUIJVLYETUSMF-UPJWGTAASA-N 2 1 282.388 -0.411 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001553504953 924017193 /nfs/dbraw/zinc/01/71/93/924017193.db2.gz SYFWLYFFYPZGBH-FRRDWIJNSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001553517617 924022215 /nfs/dbraw/zinc/02/22/15/924022215.db2.gz MMNXDVNNEQHWGZ-IGQOVBAYSA-N 2 1 296.415 -0.023 20 0 CBADMP N[C@H]1CN(C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C[C@H]1[NH3+] ZINC001553523476 924022346 /nfs/dbraw/zinc/02/23/46/924022346.db2.gz FEAGUSXISZKUJF-LOWVWBTDSA-N 2 1 267.377 -0.705 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N[C@H]2C[NH+]3CCC2CC3)C1 ZINC001553632011 924030484 /nfs/dbraw/zinc/03/04/84/924030484.db2.gz BGJZVMYPDKTQEQ-AWEZNQCLSA-N 2 1 280.416 -0.310 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001558359441 924169395 /nfs/dbraw/zinc/16/93/95/924169395.db2.gz ISJFGPZVBRYWHG-NSHDSACASA-N 2 1 261.341 -0.539 20 0 CBADMP C[NH+](CCO)CCNC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001558359441 924169404 /nfs/dbraw/zinc/16/94/04/924169404.db2.gz ISJFGPZVBRYWHG-NSHDSACASA-N 2 1 261.341 -0.539 20 0 CBADMP C[NH+](CCO)CCNC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001558359441 924169413 /nfs/dbraw/zinc/16/94/13/924169413.db2.gz ISJFGPZVBRYWHG-NSHDSACASA-N 2 1 261.341 -0.539 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]21 ZINC000125413432 187183367 /nfs/dbraw/zinc/18/33/67/187183367.db2.gz KGDFGEQGPIRMFC-OUAUKWLOSA-N 2 1 266.345 -0.403 20 0 CBADMP C[C@@H](C(=O)NCC[N@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000338080496 214392438 /nfs/dbraw/zinc/39/24/38/214392438.db2.gz BOKCIGFZHDUPDB-LBPRGKRZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H](C(=O)NCC[N@@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000338080496 214392440 /nfs/dbraw/zinc/39/24/40/214392440.db2.gz BOKCIGFZHDUPDB-LBPRGKRZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H](CNC(=O)/C=C/C[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000491861375 230330995 /nfs/dbraw/zinc/33/09/95/230330995.db2.gz AKOPEUXJPNPUKW-URWSZGRFSA-N 2 1 268.405 -0.144 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000125629451 187193883 /nfs/dbraw/zinc/19/38/83/187193883.db2.gz NCVBWHATDCTUHS-CYBMUJFWSA-N 2 1 268.405 -0.118 20 0 CBADMP CC[C@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000378203246 529441748 /nfs/dbraw/zinc/44/17/48/529441748.db2.gz HTNNIGDGAPAWLK-OLZOCXBDSA-N 2 1 268.405 -0.038 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000126150387 187221085 /nfs/dbraw/zinc/22/10/85/187221085.db2.gz WAQJXYMAYJBAAE-BZPMIXESSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000126161687 187221788 /nfs/dbraw/zinc/22/17/88/187221788.db2.gz UVTHORDXSCUTQE-YPMHNXCESA-N 2 1 284.404 -0.456 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000126280701 187230065 /nfs/dbraw/zinc/23/00/65/187230065.db2.gz BLKGZLZHSPZONS-GWCFXTLKSA-N 2 1 282.388 -0.561 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126466767 187242485 /nfs/dbraw/zinc/24/24/85/187242485.db2.gz LHHYPMLCHVAIAG-BZPMIXESSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000355802062 529800881 /nfs/dbraw/zinc/80/08/81/529800881.db2.gz HKTNHFYWLRGXKS-SMDDNHRTSA-N 2 1 278.356 -0.057 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000355802062 529800882 /nfs/dbraw/zinc/80/08/82/529800882.db2.gz HKTNHFYWLRGXKS-SMDDNHRTSA-N 2 1 278.356 -0.057 20 0 CBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351496371 219105481 /nfs/dbraw/zinc/10/54/81/219105481.db2.gz RKCUFUGIHDTAEV-TUAOUCFPSA-N 2 1 255.362 -0.192 20 0 CBADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351496371 219105482 /nfs/dbraw/zinc/10/54/82/219105482.db2.gz RKCUFUGIHDTAEV-TUAOUCFPSA-N 2 1 255.362 -0.192 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351517514 219112926 /nfs/dbraw/zinc/11/29/26/219112926.db2.gz ANKZBBJJYHTVMN-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000351530230 219116418 /nfs/dbraw/zinc/11/64/18/219116418.db2.gz ADDWCXGSCBHURI-FRRDWIJNSA-N 2 1 294.399 -0.402 20 0 CBADMP CN(C)c1cc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc[nH+]1 ZINC000351537401 219118797 /nfs/dbraw/zinc/11/87/97/219118797.db2.gz JAARXCOLUJXLOG-LLVKDONJSA-N 2 1 291.355 -0.046 20 0 CBADMP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000351545320 219120178 /nfs/dbraw/zinc/12/01/78/219120178.db2.gz WSHBHHHGCKVNER-CHWSQXEVSA-N 2 1 294.399 -0.450 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000351553047 219124112 /nfs/dbraw/zinc/12/41/12/219124112.db2.gz CVLNMGYXGAAUHU-UPJWGTAASA-N 2 1 294.399 -0.402 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351569030 219129290 /nfs/dbraw/zinc/12/92/90/219129290.db2.gz NJRXRJWRYGYHOY-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351591686 219138587 /nfs/dbraw/zinc/13/85/87/219138587.db2.gz GGKHTDLMYFTPKX-GXTWGEPZSA-N 2 1 271.405 -0.560 20 0 CBADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000331490735 282365601 /nfs/dbraw/zinc/36/56/01/282365601.db2.gz YGYKOZWNCWYZDN-NWDGAFQWSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H](CO)[N@H+]1CCCN(C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000351630074 219154213 /nfs/dbraw/zinc/15/42/13/219154213.db2.gz QVCDQKZTOCZTPT-ZFWWWQNUSA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@@H](CO)[NH+]1CCCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351630074 219154215 /nfs/dbraw/zinc/15/42/15/219154215.db2.gz QVCDQKZTOCZTPT-ZFWWWQNUSA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@@H](CO)[NH+]1CCCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351630074 219154217 /nfs/dbraw/zinc/15/42/17/219154217.db2.gz QVCDQKZTOCZTPT-ZFWWWQNUSA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@H](CO)[N@H+]1CCCN(C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000351630072 219154697 /nfs/dbraw/zinc/15/46/97/219154697.db2.gz QVCDQKZTOCZTPT-UKRRQHHQSA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@H](CO)[NH+]1CCCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351630072 219154700 /nfs/dbraw/zinc/15/47/00/219154700.db2.gz QVCDQKZTOCZTPT-UKRRQHHQSA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@H](CO)[NH+]1CCCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351630072 219154703 /nfs/dbraw/zinc/15/47/03/219154703.db2.gz QVCDQKZTOCZTPT-UKRRQHHQSA-N 2 1 285.432 -0.170 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC1(O)CCOCC1 ZINC000328762730 282397848 /nfs/dbraw/zinc/39/78/48/282397848.db2.gz ZMEGPSMUCFEWJL-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC1(O)CCOCC1 ZINC000328762730 282397851 /nfs/dbraw/zinc/39/78/51/282397851.db2.gz ZMEGPSMUCFEWJL-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP CNC(=O)CCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351711278 219183825 /nfs/dbraw/zinc/18/38/25/219183825.db2.gz GVQGDSSDRJKQCZ-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CNC(=O)CCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351711278 219183827 /nfs/dbraw/zinc/18/38/27/219183827.db2.gz GVQGDSSDRJKQCZ-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CNC(=O)CCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351711278 219183828 /nfs/dbraw/zinc/18/38/28/219183828.db2.gz GVQGDSSDRJKQCZ-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CNC(=O)CCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351711278 219183831 /nfs/dbraw/zinc/18/38/31/219183831.db2.gz GVQGDSSDRJKQCZ-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000128460596 187371958 /nfs/dbraw/zinc/37/19/58/187371958.db2.gz HITYUIDNUFYGJI-GFCCVEGCSA-N 2 1 282.388 -0.111 20 0 CBADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000128460596 187371960 /nfs/dbraw/zinc/37/19/60/187371960.db2.gz HITYUIDNUFYGJI-GFCCVEGCSA-N 2 1 282.388 -0.111 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000351829765 219218853 /nfs/dbraw/zinc/21/88/53/219218853.db2.gz OULSRTXEGGZPAA-WOPDTQHZSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000351829765 219218854 /nfs/dbraw/zinc/21/88/54/219218854.db2.gz OULSRTXEGGZPAA-WOPDTQHZSA-N 2 1 255.362 -0.097 20 0 CBADMP CCNC(=O)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000339316717 215091864 /nfs/dbraw/zinc/09/18/64/215091864.db2.gz NCULMPVVBMOVEY-CQSZACIVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000351853186 219227446 /nfs/dbraw/zinc/22/74/46/219227446.db2.gz OERWMTWVSIMAIB-RYUDHWBXSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@H]1CN(CCC(=O)N2CC[NH+](C)CC2)C[C@H](C)[NH2+]1 ZINC000514727415 290840894 /nfs/dbraw/zinc/84/08/94/290840894.db2.gz XCAVHDLKKXFCHR-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000339582730 215257446 /nfs/dbraw/zinc/25/74/46/215257446.db2.gz PKNSCMQMKAVIIO-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)c1csc(CC[NH3+])n1 ZINC000090954040 180073752 /nfs/dbraw/zinc/07/37/52/180073752.db2.gz OVELTQPBSQYMQA-UHFFFAOYSA-N 2 1 286.401 -0.048 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000091311276 180132766 /nfs/dbraw/zinc/13/27/66/180132766.db2.gz BQVCSKYAONEGMD-ZYHUDNBSSA-N 2 1 253.346 -0.282 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091311803 180132976 /nfs/dbraw/zinc/13/29/76/180132976.db2.gz INKXOSMPRAJILO-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+](CCO)CCOC)CC1 ZINC000104957921 186034599 /nfs/dbraw/zinc/03/45/99/186034599.db2.gz JAASOVGHVDHULI-UHFFFAOYSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCO)CCOC)CC1 ZINC000104957921 186034600 /nfs/dbraw/zinc/03/46/00/186034600.db2.gz JAASOVGHVDHULI-UHFFFAOYSA-N 2 1 287.404 -0.472 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091549058 180188446 /nfs/dbraw/zinc/18/84/46/180188446.db2.gz VUWQCCQOASCCPT-OLZOCXBDSA-N 2 1 268.405 -0.133 20 0 CBADMP O=C(C[NH2+]CC1CC1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000091668195 180224691 /nfs/dbraw/zinc/22/46/91/180224691.db2.gz MDRUUKSDCNKWIS-QWHCGFSZSA-N 2 1 267.373 -0.035 20 0 CBADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000352098535 219321090 /nfs/dbraw/zinc/32/10/90/219321090.db2.gz RPNQSGVCFDJNMM-YPMHNXCESA-N 2 1 273.377 -0.864 20 0 CBADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000352098535 219321091 /nfs/dbraw/zinc/32/10/91/219321091.db2.gz RPNQSGVCFDJNMM-YPMHNXCESA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H](C)O ZINC000352195768 219356542 /nfs/dbraw/zinc/35/65/42/219356542.db2.gz UDHYIEMMYPZPDJ-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H](C)O ZINC000352195768 219356543 /nfs/dbraw/zinc/35/65/43/219356543.db2.gz UDHYIEMMYPZPDJ-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(=O)n(C)c1=O ZINC000109131671 186244729 /nfs/dbraw/zinc/24/47/29/186244729.db2.gz WJHLHLKLAVLUHW-QWHCGFSZSA-N 2 1 292.383 -0.200 20 0 CBADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(=O)n(C)c1=O ZINC000109131671 186244731 /nfs/dbraw/zinc/24/47/31/186244731.db2.gz WJHLHLKLAVLUHW-QWHCGFSZSA-N 2 1 292.383 -0.200 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CNC(=O)C[NH3+] ZINC000037622990 351399873 /nfs/dbraw/zinc/39/98/73/351399873.db2.gz NDEIBZCYQALOAY-LLVKDONJSA-N 2 1 270.377 -0.558 20 0 CBADMP CC[NH+](CC)CCC[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000020090550 351353905 /nfs/dbraw/zinc/35/39/05/351353905.db2.gz GQPIEBDGBBKFHZ-UHFFFAOYSA-N 2 1 282.388 -0.095 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000040635659 351417516 /nfs/dbraw/zinc/41/75/16/351417516.db2.gz NVOKQKRAOFGFRC-GRYCIOLGSA-N 2 1 253.346 -0.330 20 0 CBADMP C[NH2+]CCCC(=O)NCCC[NH+]1CCN(C)CC1 ZINC000040808861 351419371 /nfs/dbraw/zinc/41/93/71/351419371.db2.gz SMJVZUOGDVBOGA-UHFFFAOYSA-N 2 1 256.394 -0.260 20 0 CBADMP NC(=O)NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958174 351515879 /nfs/dbraw/zinc/51/58/79/351515879.db2.gz MFUVTXYYWRIBFP-UHFFFAOYSA-N 2 1 284.360 -0.775 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180198 351580366 /nfs/dbraw/zinc/58/03/66/351580366.db2.gz WSLJATVSUUFUII-UWVGGRQHSA-N 2 1 256.350 -0.963 20 0 CBADMP CC(C)CNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179667 351580717 /nfs/dbraw/zinc/58/07/17/351580717.db2.gz UPRDUHZOOYTMTH-GFCCVEGCSA-N 2 1 284.404 -0.455 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170505 351635474 /nfs/dbraw/zinc/63/54/74/351635474.db2.gz LZCCTJRCQYGUMA-SNVBAGLBSA-N 2 1 256.350 -0.107 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])CC1 ZINC000070149812 351635833 /nfs/dbraw/zinc/63/58/33/351635833.db2.gz MYLXHNYFDBZBSA-AWEZNQCLSA-N 2 1 296.415 -0.120 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])CC1 ZINC000070149812 351635836 /nfs/dbraw/zinc/63/58/36/351635836.db2.gz MYLXHNYFDBZBSA-AWEZNQCLSA-N 2 1 296.415 -0.120 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070174611 351635953 /nfs/dbraw/zinc/63/59/53/351635953.db2.gz YVUAMQCMEJMXFQ-VHSXEESVSA-N 2 1 256.350 -0.109 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070177573 351635990 /nfs/dbraw/zinc/63/59/90/351635990.db2.gz WGNQCXZXDARHBX-NXEZZACHSA-N 2 1 256.350 -0.109 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070177573 351635994 /nfs/dbraw/zinc/63/59/94/351635994.db2.gz WGNQCXZXDARHBX-NXEZZACHSA-N 2 1 256.350 -0.109 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000070174113 351636081 /nfs/dbraw/zinc/63/60/81/351636081.db2.gz SOPGWWSJIQKLCN-VHSXEESVSA-N 2 1 254.334 -0.403 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000070177574 351636100 /nfs/dbraw/zinc/63/61/00/351636100.db2.gz WGNQCXZXDARHBX-VHSXEESVSA-N 2 1 256.350 -0.109 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000070177574 351636101 /nfs/dbraw/zinc/63/61/01/351636101.db2.gz WGNQCXZXDARHBX-VHSXEESVSA-N 2 1 256.350 -0.109 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)NCC(=O)OC)C1 ZINC000072859490 351651648 /nfs/dbraw/zinc/65/16/48/351651648.db2.gz QESPNZDZSDXBME-LBPRGKRZSA-N 2 1 285.388 -0.061 20 0 CBADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)NCC(=O)OC)C1 ZINC000072859490 351651652 /nfs/dbraw/zinc/65/16/52/351651652.db2.gz QESPNZDZSDXBME-LBPRGKRZSA-N 2 1 285.388 -0.061 20 0 CBADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)NCC(=O)OC)C1 ZINC000072859490 351651655 /nfs/dbraw/zinc/65/16/55/351651655.db2.gz QESPNZDZSDXBME-LBPRGKRZSA-N 2 1 285.388 -0.061 20 0 CBADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073644083 351655287 /nfs/dbraw/zinc/65/52/87/351655287.db2.gz VTTRTZBMCXHSNX-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP C[NH+](C)CCN1C[C@H](C(=O)NCC[N@@H+](C)C2CC2)CC1=O ZINC000074229117 351659226 /nfs/dbraw/zinc/65/92/26/351659226.db2.gz SKEXOEWGGSDTLG-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000068807393 351622114 /nfs/dbraw/zinc/62/21/14/351622114.db2.gz BKPAWZLPUASSOI-VXGBXAGGSA-N 2 1 254.378 -0.652 20 0 CBADMP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068807498 351622658 /nfs/dbraw/zinc/62/26/58/351622658.db2.gz TUTQCKZGCZAJKM-DGCLKSJQSA-N 2 1 256.394 -0.134 20 0 CBADMP C[NH+]1CCC(O)(CNC(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000077785797 351682240 /nfs/dbraw/zinc/68/22/40/351682240.db2.gz MQOCQMGHWKXMDZ-LBPRGKRZSA-N 2 1 284.404 -0.164 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000081001884 351702084 /nfs/dbraw/zinc/70/20/84/351702084.db2.gz IPQWFXDSZWYVLU-OLZOCXBDSA-N 2 1 268.405 -0.119 20 0 CBADMP COCCC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000081454397 351707775 /nfs/dbraw/zinc/70/77/75/351707775.db2.gz LUYPQULHXJBPJV-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000081454397 351707776 /nfs/dbraw/zinc/70/77/76/351707776.db2.gz LUYPQULHXJBPJV-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081454397 351707778 /nfs/dbraw/zinc/70/77/78/351707778.db2.gz LUYPQULHXJBPJV-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081454397 351707781 /nfs/dbraw/zinc/70/77/81/351707781.db2.gz LUYPQULHXJBPJV-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000081270841 351703980 /nfs/dbraw/zinc/70/39/80/351703980.db2.gz LCHDSLJSNICPSH-RYUDHWBXSA-N 2 1 255.362 -0.227 20 0 CBADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000081270841 351703982 /nfs/dbraw/zinc/70/39/82/351703982.db2.gz LCHDSLJSNICPSH-RYUDHWBXSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C1CC1 ZINC000081338850 351705585 /nfs/dbraw/zinc/70/55/85/351705585.db2.gz WQRRKUDSRQVLHR-PWSUYJOCSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C1CC1 ZINC000081338850 351705586 /nfs/dbraw/zinc/70/55/86/351705586.db2.gz WQRRKUDSRQVLHR-PWSUYJOCSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+](C)C1CC1 ZINC000081338850 351705587 /nfs/dbraw/zinc/70/55/87/351705587.db2.gz WQRRKUDSRQVLHR-PWSUYJOCSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)C1CC1 ZINC000081338850 351705589 /nfs/dbraw/zinc/70/55/89/351705589.db2.gz WQRRKUDSRQVLHR-PWSUYJOCSA-N 2 1 255.362 -0.084 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081347668 351705627 /nfs/dbraw/zinc/70/56/27/351705627.db2.gz AICCVBPBAOMECM-GFCCVEGCSA-N 2 1 255.362 -0.129 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081347668 351705628 /nfs/dbraw/zinc/70/56/28/351705628.db2.gz AICCVBPBAOMECM-GFCCVEGCSA-N 2 1 255.362 -0.129 20 0 CBADMP CC(C)[C@H](C[NH3+])C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000087531274 351722538 /nfs/dbraw/zinc/72/25/38/351722538.db2.gz XLPBDAJMLJUHOY-ZDUSSCGKSA-N 2 1 270.421 -0.029 20 0 CBADMP C[NH+](C)CC1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088371161 351725179 /nfs/dbraw/zinc/72/51/79/351725179.db2.gz FTFWBWQNVMIQPV-LBPRGKRZSA-N 2 1 255.362 -0.225 20 0 CBADMP Cn1cncc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000090168727 351737630 /nfs/dbraw/zinc/73/76/30/351737630.db2.gz GUEMOULUNIORKQ-NSHDSACASA-N 2 1 265.361 -0.293 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000091301476 351743876 /nfs/dbraw/zinc/74/38/76/351743876.db2.gz FLWFLLXKCMAQCY-ZDUSSCGKSA-N 2 1 285.388 -0.454 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CC[NH2+]C1 ZINC000091668374 351746213 /nfs/dbraw/zinc/74/62/13/351746213.db2.gz PGUDULZDOMHXST-GRYCIOLGSA-N 2 1 253.346 -0.425 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000096683559 351775873 /nfs/dbraw/zinc/77/58/73/351775873.db2.gz OUNSSOAQPCAZTG-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000111597171 351803996 /nfs/dbraw/zinc/80/39/96/351803996.db2.gz YLVVPUCYIHYDJB-AWEZNQCLSA-N 2 1 280.416 -0.070 20 0 CBADMP CC[N@@H+]1CCCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093170836 351758411 /nfs/dbraw/zinc/75/84/11/351758411.db2.gz PHIOTBNZGYHVIP-UHFFFAOYSA-N 2 1 268.405 -0.212 20 0 CBADMP CC[N@H+]1CCCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093170836 351758414 /nfs/dbraw/zinc/75/84/14/351758414.db2.gz PHIOTBNZGYHVIP-UHFFFAOYSA-N 2 1 268.405 -0.212 20 0 CBADMP COC(=O)CNC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114477376 351817533 /nfs/dbraw/zinc/81/75/33/351817533.db2.gz MVMVNWSRVCACPY-NSHDSACASA-N 2 1 271.361 -0.451 20 0 CBADMP C[NH+](C)[C@H]1CCCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000120952699 351845365 /nfs/dbraw/zinc/84/53/65/351845365.db2.gz CWMBKWUUIBITRQ-ZDUSSCGKSA-N 2 1 268.405 -0.214 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]CCCNS(C)(=O)=O)CC[N@H+]1C ZINC000121135360 351846584 /nfs/dbraw/zinc/84/65/84/351846584.db2.gz YPGJLLLGANMWEN-QWRGUYRKSA-N 2 1 263.407 -0.002 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136200678 351919990 /nfs/dbraw/zinc/91/99/90/351919990.db2.gz QWBMNEHXRVNEOB-OAHLLOKOSA-N 2 1 296.415 -0.155 20 0 CBADMP CN(C)CC[NH+]1CCC(NC(=O)NCC[NH+](C)C)CC1 ZINC000133399766 351899070 /nfs/dbraw/zinc/89/90/70/351899070.db2.gz FGLMEEAPQOIOMZ-UHFFFAOYSA-N 2 1 285.436 -0.127 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCCC[NH+]2CCC[C@@H]2CO)C1 ZINC000134147958 351904687 /nfs/dbraw/zinc/90/46/87/351904687.db2.gz KQYPBXVIXDVCBX-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCCC[NH+]2CCC[C@@H]2CO)C1 ZINC000134147958 351904688 /nfs/dbraw/zinc/90/46/88/351904688.db2.gz KQYPBXVIXDVCBX-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000134147958 351904690 /nfs/dbraw/zinc/90/46/90/351904690.db2.gz KQYPBXVIXDVCBX-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000134147958 351904692 /nfs/dbraw/zinc/90/46/92/351904692.db2.gz KQYPBXVIXDVCBX-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CN1CCNCC1=O ZINC000166028839 351986700 /nfs/dbraw/zinc/98/67/00/351986700.db2.gz MANUAFBFZXGLGN-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000168634916 351994611 /nfs/dbraw/zinc/99/46/11/351994611.db2.gz XCQPZCODZHDCCU-DGCLKSJQSA-N 2 1 282.388 -0.654 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000168634916 351994614 /nfs/dbraw/zinc/99/46/14/351994614.db2.gz XCQPZCODZHDCCU-DGCLKSJQSA-N 2 1 282.388 -0.654 20 0 CBADMP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](C2CCC2)CC1 ZINC000168811946 351995281 /nfs/dbraw/zinc/99/52/81/351995281.db2.gz FXQPDYPRFCWJIJ-NEPJUHHUSA-N 2 1 253.346 -0.594 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000169232241 351996095 /nfs/dbraw/zinc/99/60/95/351996095.db2.gz MKXXFYUHRAJGQR-SNVBAGLBSA-N 2 1 278.360 -0.462 20 0 CBADMP NC(=O)NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173961291 352043020 /nfs/dbraw/zinc/04/30/20/352043020.db2.gz HQTLWRIYNUIANE-UHFFFAOYSA-N 2 1 298.387 -0.242 20 0 CBADMP COCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000174292358 352045726 /nfs/dbraw/zinc/04/57/26/352045726.db2.gz TXRDDKSAULZMRA-CYBMUJFWSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000174292358 352045727 /nfs/dbraw/zinc/04/57/27/352045727.db2.gz TXRDDKSAULZMRA-CYBMUJFWSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N(C)CC[NH+](C)C ZINC000176310381 352063969 /nfs/dbraw/zinc/06/39/69/352063969.db2.gz IBRZJPIUSZGBPB-UHFFFAOYSA-N 2 1 260.382 -0.232 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000172101191 352021063 /nfs/dbraw/zinc/02/10/63/352021063.db2.gz DNBJEUOMVXXSTI-ZDUSSCGKSA-N 2 1 260.378 -0.228 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000172101191 352021065 /nfs/dbraw/zinc/02/10/65/352021065.db2.gz DNBJEUOMVXXSTI-ZDUSSCGKSA-N 2 1 260.378 -0.228 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000172810550 352031415 /nfs/dbraw/zinc/03/14/15/352031415.db2.gz SPXSVPNSNPWXKR-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186609752 352128666 /nfs/dbraw/zinc/12/86/66/352128666.db2.gz NZENONRXXLTEEW-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP O=C1NCC[C@H]1[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000178202102 352077795 /nfs/dbraw/zinc/07/77/95/352077795.db2.gz PGZSYMGMYCTPGL-QWHCGFSZSA-N 2 1 267.373 -0.081 20 0 CBADMP O=C1NCC[C@H]1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000178202102 352077798 /nfs/dbraw/zinc/07/77/98/352077798.db2.gz PGZSYMGMYCTPGL-QWHCGFSZSA-N 2 1 267.373 -0.081 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000178699410 352080929 /nfs/dbraw/zinc/08/09/29/352080929.db2.gz ZIAYIHAKXXSQBN-LBPRGKRZSA-N 2 1 282.388 -0.734 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000178815360 352084029 /nfs/dbraw/zinc/08/40/29/352084029.db2.gz LHZALZKEIHCTDT-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000178815360 352084030 /nfs/dbraw/zinc/08/40/30/352084030.db2.gz LHZALZKEIHCTDT-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C[N@H+]1C1CC1 ZINC000178867369 352084679 /nfs/dbraw/zinc/08/46/79/352084679.db2.gz NQPLSGXMZDNHIN-SCVCMEIPSA-N 2 1 253.346 -0.284 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C[NH3+])CC2)C1 ZINC000178885331 352085611 /nfs/dbraw/zinc/08/56/11/352085611.db2.gz STJWBWBNUQRMTG-ZDUSSCGKSA-N 2 1 284.404 -0.802 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)CC[NH3+])CC2)C1 ZINC000178885597 352085949 /nfs/dbraw/zinc/08/59/49/352085949.db2.gz ISGZYNXBIIRPDS-CQSZACIVSA-N 2 1 298.431 -0.411 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC000179302261 352089427 /nfs/dbraw/zinc/08/94/27/352089427.db2.gz SZVQWAMPVOBHME-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000180987096 352097702 /nfs/dbraw/zinc/09/77/02/352097702.db2.gz RASZPZDSZUZTCI-OAHLLOKOSA-N 2 1 296.415 -0.201 20 0 CBADMP CN(CC(O)C[N@@H+](C)CC(C)(C)O)CC(C)(C)O ZINC000181800671 352101419 /nfs/dbraw/zinc/10/14/19/352101419.db2.gz MHSLURHPQYEAIR-UHFFFAOYSA-N 2 1 262.394 -0.247 20 0 CBADMP C[NH+](CC(O)C[N@@H+](C)CC(C)(C)O)CC(C)(C)O ZINC000181800671 352101421 /nfs/dbraw/zinc/10/14/21/352101421.db2.gz MHSLURHPQYEAIR-UHFFFAOYSA-N 2 1 262.394 -0.247 20 0 CBADMP C[NH+](CC(O)C[N@H+](C)CC(C)(C)O)CC(C)(C)O ZINC000181800671 352101425 /nfs/dbraw/zinc/10/14/25/352101425.db2.gz MHSLURHPQYEAIR-UHFFFAOYSA-N 2 1 262.394 -0.247 20 0 CBADMP CC[N@H+]1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@H](C)C1 ZINC000185204546 352117396 /nfs/dbraw/zinc/11/73/96/352117396.db2.gz CKWFJERZPZGNTK-MNOVXSKESA-N 2 1 268.361 -0.142 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188728739 352157400 /nfs/dbraw/zinc/15/74/00/352157400.db2.gz SAUBLRQIVGQDPX-WDEREUQCSA-N 2 1 261.341 -0.229 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188779057 352158634 /nfs/dbraw/zinc/15/86/34/352158634.db2.gz BWVHKHXQZAUVQX-UHFFFAOYSA-N 2 1 295.387 -0.247 20 0 CBADMP C[NH+](C)CCN1C[C@H](C(=O)NCC(F)(F)C[NH3+])CC1=O ZINC000190255774 352178690 /nfs/dbraw/zinc/17/86/90/352178690.db2.gz RCTPULHWSMGEKS-SECBINFHSA-N 2 1 292.330 -0.893 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187912704 352144052 /nfs/dbraw/zinc/14/40/52/352144052.db2.gz RJGMEXCUQBMCCE-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)C1 ZINC000187912096 352144503 /nfs/dbraw/zinc/14/45/03/352144503.db2.gz DMKJWVPMZKCEAI-GRYCIOLGSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188166086 352148788 /nfs/dbraw/zinc/14/87/88/352148788.db2.gz BAADUSHXIMYTGO-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@@H+]1CCOC ZINC000188188452 352148858 /nfs/dbraw/zinc/14/88/58/352148858.db2.gz CTAJANWOJYTRGA-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@H+]1CCOC ZINC000188188452 352148860 /nfs/dbraw/zinc/14/88/60/352148860.db2.gz CTAJANWOJYTRGA-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000188234995 352149740 /nfs/dbraw/zinc/14/97/40/352149740.db2.gz OSZVBGURYGBIQJ-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221172004 352239683 /nfs/dbraw/zinc/23/96/83/352239683.db2.gz FVOVYBDRMWKUBT-GHMZBOCLSA-N 2 1 271.361 -0.275 20 0 CBADMP CCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221172004 352239687 /nfs/dbraw/zinc/23/96/87/352239687.db2.gz FVOVYBDRMWKUBT-GHMZBOCLSA-N 2 1 271.361 -0.275 20 0 CBADMP COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221172142 352240152 /nfs/dbraw/zinc/24/01/52/352240152.db2.gz IUMGGWIAVSEIEC-NXEZZACHSA-N 2 1 257.334 -0.665 20 0 CBADMP COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221172142 352240155 /nfs/dbraw/zinc/24/01/55/352240155.db2.gz IUMGGWIAVSEIEC-NXEZZACHSA-N 2 1 257.334 -0.665 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000228190145 352261110 /nfs/dbraw/zinc/26/11/10/352261110.db2.gz ZFILTRYOZCBNDE-WOPDTQHZSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000228190649 352261847 /nfs/dbraw/zinc/26/18/47/352261847.db2.gz HBWBIQYXMQXKBM-RWMBFGLXSA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228476673 352262077 /nfs/dbraw/zinc/26/20/77/352262077.db2.gz VIABQYBIVJRXRH-IVZWLZJFSA-N 2 1 254.334 -0.499 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228476673 352262079 /nfs/dbraw/zinc/26/20/79/352262079.db2.gz VIABQYBIVJRXRH-IVZWLZJFSA-N 2 1 254.334 -0.499 20 0 CBADMP CO[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000230333554 352272874 /nfs/dbraw/zinc/27/28/74/352272874.db2.gz RNWNQHOGVRWTMT-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000230993194 352275298 /nfs/dbraw/zinc/27/52/98/352275298.db2.gz WAOUFUBRRHESBC-QWRGUYRKSA-N 2 1 263.407 -0.050 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000230993194 352275303 /nfs/dbraw/zinc/27/53/03/352275303.db2.gz WAOUFUBRRHESBC-QWRGUYRKSA-N 2 1 263.407 -0.050 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000226399326 352252446 /nfs/dbraw/zinc/25/24/46/352252446.db2.gz GVWWYPDITMRWOW-CMPLNLGQSA-N 2 1 255.362 -0.036 20 0 CBADMP C[NH+](C)CCOCCNC(=O)c1csc(C[NH3+])n1 ZINC000234239604 352282185 /nfs/dbraw/zinc/28/21/85/352282185.db2.gz GQMGEQBTAAPKFF-UHFFFAOYSA-N 2 1 272.374 -0.090 20 0 CBADMP COCCC[N@H+](C)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000237190328 352301472 /nfs/dbraw/zinc/30/14/72/352301472.db2.gz ASKVAVGRUMGXAT-JTQLQIEISA-N 2 1 261.391 -0.267 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000237190328 352301474 /nfs/dbraw/zinc/30/14/74/352301474.db2.gz ASKVAVGRUMGXAT-JTQLQIEISA-N 2 1 261.391 -0.267 20 0 CBADMP C[NH2+]CC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000237222168 352302599 /nfs/dbraw/zinc/30/25/99/352302599.db2.gz XMEIHDHXUYGIMN-UHFFFAOYSA-N 2 1 292.387 -0.676 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000237435085 352305261 /nfs/dbraw/zinc/30/52/61/352305261.db2.gz OSUSZTKHKGJZNH-OLZOCXBDSA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000237498682 352305859 /nfs/dbraw/zinc/30/58/59/352305859.db2.gz WGMVCOMLDUOPCI-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000237666177 352308535 /nfs/dbraw/zinc/30/85/35/352308535.db2.gz ZJENAGSTGLUPDH-MJBXVCDLSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000237666177 352308537 /nfs/dbraw/zinc/30/85/37/352308537.db2.gz ZJENAGSTGLUPDH-MJBXVCDLSA-N 2 1 299.415 -0.020 20 0 CBADMP OC[C@@H]1CCC[NH+]1CC(O)C[N@H+]1CCC[C@H]1CO ZINC000246045057 352327073 /nfs/dbraw/zinc/32/70/73/352327073.db2.gz XMRVUDHHSQONKS-RYUDHWBXSA-N 2 1 258.362 -0.739 20 0 CBADMP OC[C@@H]1CCC[NH+]1CC(O)C[N@@H+]1CCC[C@H]1CO ZINC000246045057 352327077 /nfs/dbraw/zinc/32/70/77/352327077.db2.gz XMRVUDHHSQONKS-RYUDHWBXSA-N 2 1 258.362 -0.739 20 0 CBADMP CSCC[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246178279 352329533 /nfs/dbraw/zinc/32/95/33/352329533.db2.gz BUORJDQFNZBKMB-WOPDTQHZSA-N 2 1 289.445 -0.020 20 0 CBADMP CSCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246178279 352329534 /nfs/dbraw/zinc/32/95/34/352329534.db2.gz BUORJDQFNZBKMB-WOPDTQHZSA-N 2 1 289.445 -0.020 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@@H]1C ZINC000246707532 352337314 /nfs/dbraw/zinc/33/73/14/352337314.db2.gz WSLDXNHBOOPXBC-GMXVVIOVSA-N 2 1 273.352 -0.399 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@@H]1C ZINC000246707532 352337316 /nfs/dbraw/zinc/33/73/16/352337316.db2.gz WSLDXNHBOOPXBC-GMXVVIOVSA-N 2 1 273.352 -0.399 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250397629 352371909 /nfs/dbraw/zinc/37/19/09/352371909.db2.gz RNJUPAQNRBZZNL-VXGBXAGGSA-N 2 1 282.388 -0.687 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000250362290 352371926 /nfs/dbraw/zinc/37/19/26/352371926.db2.gz UFGKYXCJHXBKBX-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000250363989 352372096 /nfs/dbraw/zinc/37/20/96/352372096.db2.gz FAOXJPHZWKMHLV-NEPJUHHUSA-N 2 1 254.378 -0.510 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000250412109 352372137 /nfs/dbraw/zinc/37/21/37/352372137.db2.gz WSLCLIAHWUGMMX-NWDGAFQWSA-N 2 1 286.445 -0.557 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000261889510 352400016 /nfs/dbraw/zinc/40/00/16/352400016.db2.gz SZCFQRKZRINUKW-UTUOFQBUSA-N 2 1 255.362 -0.097 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000250456875 352373160 /nfs/dbraw/zinc/37/31/60/352373160.db2.gz IYQLPXNSKBSZSV-ZMLRMANQSA-N 2 1 253.346 -0.284 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000251202430 352374255 /nfs/dbraw/zinc/37/42/55/352374255.db2.gz HBWBIQYXMQXKBM-YNEHKIRRSA-N 2 1 296.415 -0.170 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1C[NH2+]CCO1 ZINC000251539931 352375276 /nfs/dbraw/zinc/37/52/76/352375276.db2.gz YETBHOUKOSETNZ-IJLUTSLNSA-N 2 1 253.346 -0.282 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000252088816 352376169 /nfs/dbraw/zinc/37/61/69/352376169.db2.gz GWBFXRXSBHXNOC-GRYCIOLGSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000252088816 352376172 /nfs/dbraw/zinc/37/61/72/352376172.db2.gz GWBFXRXSBHXNOC-GRYCIOLGSA-N 2 1 255.362 -0.049 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CSCN1 ZINC000252548618 352378280 /nfs/dbraw/zinc/37/82/80/352378280.db2.gz MSORSRHWEHLVFB-GMTAPVOTSA-N 2 1 271.386 -0.372 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CSC[NH2+]1 ZINC000252548618 352378284 /nfs/dbraw/zinc/37/82/84/352378284.db2.gz MSORSRHWEHLVFB-GMTAPVOTSA-N 2 1 271.386 -0.372 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CC[NH2+]C1 ZINC000252550970 352378586 /nfs/dbraw/zinc/37/85/86/352378586.db2.gz PGUDULZDOMHXST-SDDRHHMPSA-N 2 1 253.346 -0.425 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252752239 352379795 /nfs/dbraw/zinc/37/97/95/352379795.db2.gz BWIPHUWKKZNONQ-LPEHRKFASA-N 2 1 256.350 -0.110 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252752239 352379801 /nfs/dbraw/zinc/37/98/01/352379801.db2.gz BWIPHUWKKZNONQ-LPEHRKFASA-N 2 1 256.350 -0.110 20 0 CBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252858102 352380600 /nfs/dbraw/zinc/38/06/00/352380600.db2.gz LRIIRHYWEBACQO-DCAQKATOSA-N 2 1 268.361 -0.109 20 0 CBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252858102 352380605 /nfs/dbraw/zinc/38/06/05/352380605.db2.gz LRIIRHYWEBACQO-DCAQKATOSA-N 2 1 268.361 -0.109 20 0 CBADMP Cn1c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc(=O)n(C)c1=O ZINC000261591878 352389497 /nfs/dbraw/zinc/38/94/97/352389497.db2.gz MDJUDEAFJCCWHI-CYBMUJFWSA-N 2 1 266.345 -0.745 20 0 CBADMP Cn1c(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc(=O)n(C)c1=O ZINC000261591878 352389501 /nfs/dbraw/zinc/38/95/01/352389501.db2.gz MDJUDEAFJCCWHI-CYBMUJFWSA-N 2 1 266.345 -0.745 20 0 CBADMP Cc1cnn(CC[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000261593279 352390746 /nfs/dbraw/zinc/39/07/46/352390746.db2.gz MWPKLDKTFYZDHM-UHFFFAOYSA-N 2 1 265.361 -0.445 20 0 CBADMP Cc1cnn(CC[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000261593279 352390748 /nfs/dbraw/zinc/39/07/48/352390748.db2.gz MWPKLDKTFYZDHM-UHFFFAOYSA-N 2 1 265.361 -0.445 20 0 CBADMP C[C@@]1(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)CC[NH2+]C1 ZINC000261747759 352394842 /nfs/dbraw/zinc/39/48/42/352394842.db2.gz JGOYIXJXHUTKSM-UKRRQHHQSA-N 2 1 280.416 -0.118 20 0 CBADMP C[C@@]1(C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)CC[NH2+]C1 ZINC000261747759 352394847 /nfs/dbraw/zinc/39/48/47/352394847.db2.gz JGOYIXJXHUTKSM-UKRRQHHQSA-N 2 1 280.416 -0.118 20 0 CBADMP C[C@]1(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)CC[NH2+]C1 ZINC000261747757 352395180 /nfs/dbraw/zinc/39/51/80/352395180.db2.gz JGOYIXJXHUTKSM-HIFRSBDPSA-N 2 1 280.416 -0.118 20 0 CBADMP C[C@]1(C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)CC[NH2+]C1 ZINC000261747757 352395183 /nfs/dbraw/zinc/39/51/83/352395183.db2.gz JGOYIXJXHUTKSM-HIFRSBDPSA-N 2 1 280.416 -0.118 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000261794073 352396384 /nfs/dbraw/zinc/39/63/84/352396384.db2.gz YCAJZNVFYBPJCK-OAHLLOKOSA-N 2 1 299.415 -0.207 20 0 CBADMP O=C(CC[N@@H+]1CCSC[C@@H]1CCO)N1CC[NH2+]CC1 ZINC000262205502 352410571 /nfs/dbraw/zinc/41/05/71/352410571.db2.gz SQLUDJCWURKYBE-LBPRGKRZSA-N 2 1 287.429 -0.392 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000263268630 352441257 /nfs/dbraw/zinc/44/12/57/352441257.db2.gz WDQFGHDHVYPUBS-OCCSQVGLSA-N 2 1 298.431 -0.114 20 0 CBADMP NC(=O)C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262221117 352411308 /nfs/dbraw/zinc/41/13/08/352411308.db2.gz UNOGPQPVOQIHHE-LBPRGKRZSA-N 2 1 282.388 -0.462 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000263262582 352441356 /nfs/dbraw/zinc/44/13/56/352441356.db2.gz TXLGWHJSXWKBAV-JSGCOSHPSA-N 2 1 298.431 -0.114 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000263262586 352441433 /nfs/dbraw/zinc/44/14/33/352441433.db2.gz TXLGWHJSXWKBAV-OCCSQVGLSA-N 2 1 298.431 -0.114 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262333613 352416273 /nfs/dbraw/zinc/41/62/73/352416273.db2.gz FGZUWXUUKMYBHF-AGIUHOORSA-N 2 1 269.389 -0.197 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)C[C@@H]1C ZINC000262328048 352416575 /nfs/dbraw/zinc/41/65/75/352416575.db2.gz GJERBDIPJRSTGH-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@H+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)C[C@@H]1C ZINC000262328048 352416576 /nfs/dbraw/zinc/41/65/76/352416576.db2.gz GJERBDIPJRSTGH-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262333616 352416622 /nfs/dbraw/zinc/41/66/22/352416622.db2.gz FGZUWXUUKMYBHF-UPJWGTAASA-N 2 1 269.389 -0.197 20 0 CBADMP CC[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@H+]1CCOC ZINC000262345093 352416961 /nfs/dbraw/zinc/41/69/61/352416961.db2.gz ILOWQKWQJWGTGF-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[C@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@H+]1CCOC ZINC000262345090 352417538 /nfs/dbraw/zinc/41/75/38/352417538.db2.gz ILOWQKWQJWGTGF-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262367254 352419169 /nfs/dbraw/zinc/41/91/69/352419169.db2.gz JNGOSWBUICJCFQ-MROQNXINSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CNC(=O)C[NH3+])C1 ZINC000262464600 352422474 /nfs/dbraw/zinc/42/24/74/352422474.db2.gz YCUUQOCECQGOCT-TXEJJXNPSA-N 2 1 284.404 -0.455 20 0 CBADMP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262533883 352425165 /nfs/dbraw/zinc/42/51/65/352425165.db2.gz PRDBWHXQLPVNDR-IUODEOHRSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262533885 352425276 /nfs/dbraw/zinc/42/52/76/352425276.db2.gz PRDBWHXQLPVNDR-WFASDCNBSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H](C)C[NH3+])CC1=O ZINC000262545453 352425501 /nfs/dbraw/zinc/42/55/01/352425501.db2.gz UVXSUNUSQHYTGD-XQQFMLRXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000262570414 352426567 /nfs/dbraw/zinc/42/65/67/352426567.db2.gz GWOQBZVMSKCMHG-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000262570414 352426570 /nfs/dbraw/zinc/42/65/70/352426570.db2.gz GWOQBZVMSKCMHG-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000262599280 352427369 /nfs/dbraw/zinc/42/73/69/352427369.db2.gz XMWBIKGCIDLRBI-KBPBESRZSA-N 2 1 299.415 -0.162 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000262599281 352427414 /nfs/dbraw/zinc/42/74/14/352427414.db2.gz XMWBIKGCIDLRBI-KGLIPLIRSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@H](CNC(=O)C[NH2+]CC1CC1)CN1CC[NH+](C)CC1 ZINC000262629336 352428491 /nfs/dbraw/zinc/42/84/91/352428491.db2.gz DDDHGKPYOVPIMQ-CYBMUJFWSA-N 2 1 282.432 -0.014 20 0 CBADMP COCC[N@H+](C)CCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000262656107 352429100 /nfs/dbraw/zinc/42/91/00/352429100.db2.gz MKXJAHXOUXCXRG-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000262656107 352429103 /nfs/dbraw/zinc/42/91/03/352429103.db2.gz MKXJAHXOUXCXRG-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000262821597 352434264 /nfs/dbraw/zinc/43/42/64/352434264.db2.gz XFIOBTPJLLULCE-RYUDHWBXSA-N 2 1 273.377 -0.565 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000261992567 352403153 /nfs/dbraw/zinc/40/31/53/352403153.db2.gz SXFCFTAKQCQPBD-WOPDTQHZSA-N 2 1 255.362 -0.131 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262037357 352404142 /nfs/dbraw/zinc/40/41/42/352404142.db2.gz KTBBJEBSCAGEAQ-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CC(N)=O)c1 ZINC000269718360 352479537 /nfs/dbraw/zinc/47/95/37/352479537.db2.gz PLMDVMZJDBZOPV-CYBMUJFWSA-N 2 1 292.383 -0.043 20 0 CBADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CC(N)=O)c1 ZINC000269718360 352479541 /nfs/dbraw/zinc/47/95/41/352479541.db2.gz PLMDVMZJDBZOPV-CYBMUJFWSA-N 2 1 292.383 -0.043 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)c1ccc(F)cc1 ZINC000269709683 352479764 /nfs/dbraw/zinc/47/97/64/352479764.db2.gz NSAAAUHAAGHVSE-VXGBXAGGSA-N 2 1 296.346 -0.253 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(=O)n(C)c1=O ZINC000292843013 352685646 /nfs/dbraw/zinc/68/56/46/352685646.db2.gz SIBZWTIBWWQLGF-HNNXBMFYSA-N 2 1 292.383 -0.388 20 0 CBADMP Cn1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(=O)n(C)c1=O ZINC000292843013 352685649 /nfs/dbraw/zinc/68/56/49/352685649.db2.gz SIBZWTIBWWQLGF-HNNXBMFYSA-N 2 1 292.383 -0.388 20 0 CBADMP Cn1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(=O)n(C)c1=O ZINC000292843013 352685652 /nfs/dbraw/zinc/68/56/52/352685652.db2.gz SIBZWTIBWWQLGF-HNNXBMFYSA-N 2 1 292.383 -0.388 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CCO)CC1 ZINC000304127939 352745607 /nfs/dbraw/zinc/74/56/07/352745607.db2.gz VCYOMNAJIMTXNJ-UHFFFAOYSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCO)CC1 ZINC000304127939 352745608 /nfs/dbraw/zinc/74/56/08/352745608.db2.gz VCYOMNAJIMTXNJ-UHFFFAOYSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)NC(=O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310934670 352763910 /nfs/dbraw/zinc/76/39/10/352763910.db2.gz VHXNKFLHEHGHNF-LBPRGKRZSA-N 2 1 257.378 -0.054 20 0 CBADMP CC(C)NC(=O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310934670 352763914 /nfs/dbraw/zinc/76/39/14/352763914.db2.gz VHXNKFLHEHGHNF-LBPRGKRZSA-N 2 1 257.378 -0.054 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCCN(C(C)=O)CC1 ZINC000311037498 352764816 /nfs/dbraw/zinc/76/48/16/352764816.db2.gz OJXXMLBSPLUYAP-CYBMUJFWSA-N 2 1 257.378 -0.147 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)Cn1cccn1 ZINC000311610471 352768871 /nfs/dbraw/zinc/76/88/71/352768871.db2.gz VLPNHBNUPDRKJD-STQMWFEESA-N 2 1 270.377 -0.200 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)Cn1cccn1 ZINC000311610471 352768875 /nfs/dbraw/zinc/76/88/75/352768875.db2.gz VLPNHBNUPDRKJD-STQMWFEESA-N 2 1 270.377 -0.200 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)Cn1cccn1 ZINC000311610469 352769067 /nfs/dbraw/zinc/76/90/67/352769067.db2.gz VLPNHBNUPDRKJD-OLZOCXBDSA-N 2 1 270.377 -0.200 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)Cn1cccn1 ZINC000311610469 352769069 /nfs/dbraw/zinc/76/90/69/352769069.db2.gz VLPNHBNUPDRKJD-OLZOCXBDSA-N 2 1 270.377 -0.200 20 0 CBADMP CC[NH2+]Cc1cn(C[C@@H](O)C[N@@H+](C)CCOC)nn1 ZINC000311692257 352769953 /nfs/dbraw/zinc/76/99/53/352769953.db2.gz KNSKCSPTZSOCDF-LBPRGKRZSA-N 2 1 271.365 -0.673 20 0 CBADMP O=C1CNC(=O)N1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311720114 352770063 /nfs/dbraw/zinc/77/00/63/352770063.db2.gz PJJNODJMGNHGCM-PHIMTYICSA-N 2 1 266.345 -0.530 20 0 CBADMP Cn1nccc1CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000311915485 352772151 /nfs/dbraw/zinc/77/21/51/352772151.db2.gz ARBZICVGCHGHKD-CQSZACIVSA-N 2 1 263.389 -0.058 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CCn3cnnc3C2)CC1 ZINC000328666790 352786079 /nfs/dbraw/zinc/78/60/79/352786079.db2.gz DBQGOJRGQFPIJD-UHFFFAOYSA-N 2 1 278.360 -0.742 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[NH+]2C[C@H](OC)[C@@H](OC)C2)CC1 ZINC000331103291 352878156 /nfs/dbraw/zinc/87/81/56/352878156.db2.gz HFZAXBBAXZQZMF-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332082511 352934608 /nfs/dbraw/zinc/93/46/08/352934608.db2.gz BABVXQONUWTHLU-YNEHKIRRSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000331374795 352909618 /nfs/dbraw/zinc/90/96/18/352909618.db2.gz GHZACBVNPQPQRL-MNOVXSKESA-N 2 1 280.372 -0.840 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000331374779 352909725 /nfs/dbraw/zinc/90/97/25/352909725.db2.gz GHZACBVNPQPQRL-GHMZBOCLSA-N 2 1 280.372 -0.840 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](C)[NH2+]1 ZINC000331378223 352910411 /nfs/dbraw/zinc/91/04/11/352910411.db2.gz HUPIOECCTTXLPZ-GRYCIOLGSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[N@H+]1C1CC1 ZINC000331388204 352911018 /nfs/dbraw/zinc/91/10/18/352911018.db2.gz LOWDFFROQGDGNG-WOPDTQHZSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C[N@H+]1C1CC1 ZINC000331392677 352911709 /nfs/dbraw/zinc/91/17/09/352911709.db2.gz MUJGTFXBXAOBCB-UTUOFQBUSA-N 2 1 294.399 -0.452 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000331479411 352918433 /nfs/dbraw/zinc/91/84/33/352918433.db2.gz LMSLBZWJNBYZKZ-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000331492902 352919288 /nfs/dbraw/zinc/91/92/88/352919288.db2.gz RIVOYCOLZHSGDG-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332038183 352930371 /nfs/dbraw/zinc/93/03/71/352930371.db2.gz LACNOTOGEROKMO-RWMBFGLXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)[C@H](C)C[NH2+]1 ZINC000332655116 352972776 /nfs/dbraw/zinc/97/27/76/352972776.db2.gz VTTJLTLZVUGJMR-JHJVBQTASA-N 2 1 294.399 -0.498 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332678457 352975434 /nfs/dbraw/zinc/97/54/34/352975434.db2.gz DNKPPYOPXZNYCD-GHMZBOCLSA-N 2 1 268.361 -0.854 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332678457 352975436 /nfs/dbraw/zinc/97/54/36/352975436.db2.gz DNKPPYOPXZNYCD-GHMZBOCLSA-N 2 1 268.361 -0.854 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332736409 352981257 /nfs/dbraw/zinc/98/12/57/352981257.db2.gz VKYJVPKYOLYCLH-LLVKDONJSA-N 2 1 268.361 -0.900 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332736409 352981259 /nfs/dbraw/zinc/98/12/59/352981259.db2.gz VKYJVPKYOLYCLH-LLVKDONJSA-N 2 1 268.361 -0.900 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000332819827 352987733 /nfs/dbraw/zinc/98/77/33/352987733.db2.gz GPJCTKXOSCBFHL-STQMWFEESA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000332819827 352987736 /nfs/dbraw/zinc/98/77/36/352987736.db2.gz GPJCTKXOSCBFHL-STQMWFEESA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000332819827 352987739 /nfs/dbraw/zinc/98/77/39/352987739.db2.gz GPJCTKXOSCBFHL-STQMWFEESA-N 2 1 283.420 -0.374 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000332202556 352939013 /nfs/dbraw/zinc/93/90/13/352939013.db2.gz XTOOFBFXEYLCCF-OLZOCXBDSA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000332202556 352939016 /nfs/dbraw/zinc/93/90/16/352939016.db2.gz XTOOFBFXEYLCCF-OLZOCXBDSA-N 2 1 294.399 -0.497 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C[C@@H]1[NH3+] ZINC000332263762 352941382 /nfs/dbraw/zinc/94/13/82/352941382.db2.gz UCSLYROOHNFELN-NDBYEHHHSA-N 2 1 294.399 -0.513 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000332326108 352944863 /nfs/dbraw/zinc/94/48/63/352944863.db2.gz LICNJGASIZREKO-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000332390287 352948185 /nfs/dbraw/zinc/94/81/85/352948185.db2.gz WTDCOCVIENEIOH-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2([NH3+])CCC2)[C@H](C)C1 ZINC000332457745 352954075 /nfs/dbraw/zinc/95/40/75/352954075.db2.gz ICSHVMVOCFFYDZ-NEPJUHHUSA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332570442 352967577 /nfs/dbraw/zinc/96/75/77/352967577.db2.gz CMFFHOOEMIJCTE-XQQFMLRXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC[NH2+]1 ZINC000332592170 352968154 /nfs/dbraw/zinc/96/81/54/352968154.db2.gz AUACFHPYRCNYME-RYUDHWBXSA-N 2 1 280.372 -0.887 20 0 CBADMP C[C@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[N@@H+](C)C1CC1 ZINC000333355133 353000671 /nfs/dbraw/zinc/00/06/71/353000671.db2.gz KELFHTGDQVWDKA-YJQGPUDQSA-N 2 1 252.362 -0.014 20 0 CBADMP C[C@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C[NH+]1CCOCC1 ZINC000333589958 353004274 /nfs/dbraw/zinc/00/42/74/353004274.db2.gz OKSKRLUCSASJDX-NDBYEHHHSA-N 2 1 282.388 -0.528 20 0 CBADMP C[N@H+]1CCCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000333623448 353006242 /nfs/dbraw/zinc/00/62/42/353006242.db2.gz USMTVFYYETTZAS-LBPRGKRZSA-N 2 1 292.387 -0.020 20 0 CBADMP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333754585 353010189 /nfs/dbraw/zinc/01/01/89/353010189.db2.gz ZOBHVWQEGKDFPO-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CCC[NH2+]C1 ZINC000336817824 353058942 /nfs/dbraw/zinc/05/89/42/353058942.db2.gz RZOSUYZTYDKDAD-ZIAGYGMSSA-N 2 1 271.405 -0.389 20 0 CBADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC000336817478 353059176 /nfs/dbraw/zinc/05/91/76/353059176.db2.gz QMTMXBUYWSCLQD-CYBMUJFWSA-N 2 1 266.345 -0.434 20 0 CBADMP C[N@H+]1CC[C@@]2(CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC000336817478 353059179 /nfs/dbraw/zinc/05/91/79/353059179.db2.gz QMTMXBUYWSCLQD-CYBMUJFWSA-N 2 1 266.345 -0.434 20 0 CBADMP C[NH+]1CC[C@@]2(CC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC000336817478 353059181 /nfs/dbraw/zinc/05/91/81/353059181.db2.gz QMTMXBUYWSCLQD-CYBMUJFWSA-N 2 1 266.345 -0.434 20 0 CBADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC000336817478 353059183 /nfs/dbraw/zinc/05/91/83/353059183.db2.gz QMTMXBUYWSCLQD-CYBMUJFWSA-N 2 1 266.345 -0.434 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CC[NH+](CC(C)(C)O)CC1)C1CC1 ZINC000336837662 353062830 /nfs/dbraw/zinc/06/28/30/353062830.db2.gz MEHOHYFJKXKEEC-CQSZACIVSA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)N1CC[NH+](C)CC1 ZINC000337428109 353082444 /nfs/dbraw/zinc/08/24/44/353082444.db2.gz XTUWGDRUZZWZMI-OCCSQVGLSA-N 2 1 286.420 -0.949 20 0 CBADMP CN(C)C(=O)NCC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338280457 353092272 /nfs/dbraw/zinc/09/22/72/353092272.db2.gz LGSIYKFZVMOBHA-UHFFFAOYSA-N 2 1 299.419 -0.647 20 0 CBADMP CN(C)C(=O)NCC[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338280457 353092273 /nfs/dbraw/zinc/09/22/73/353092273.db2.gz LGSIYKFZVMOBHA-UHFFFAOYSA-N 2 1 299.419 -0.647 20 0 CBADMP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC[C@@H]1O ZINC000338312209 353095228 /nfs/dbraw/zinc/09/52/28/353095228.db2.gz BQONKTBLVZCDTR-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC[C@@H]1O ZINC000338312209 353095232 /nfs/dbraw/zinc/09/52/32/353095232.db2.gz BQONKTBLVZCDTR-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@](C)(O)C2)CC1 ZINC000338311556 353095550 /nfs/dbraw/zinc/09/55/50/353095550.db2.gz FSVWZYSHXDTMSN-ZDUSSCGKSA-N 2 1 255.362 -0.393 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@](C)(O)C2)CC1 ZINC000338311556 353095552 /nfs/dbraw/zinc/09/55/52/353095552.db2.gz FSVWZYSHXDTMSN-ZDUSSCGKSA-N 2 1 255.362 -0.393 20 0 CBADMP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C(N)=O)C1 ZINC000338326490 353096120 /nfs/dbraw/zinc/09/61/20/353096120.db2.gz ZORBEQZWNYGHAZ-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C(N)=O)C1 ZINC000338326490 353096122 /nfs/dbraw/zinc/09/61/22/353096122.db2.gz ZORBEQZWNYGHAZ-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C(N)=O)C1 ZINC000338326496 353096300 /nfs/dbraw/zinc/09/63/00/353096300.db2.gz ZORBEQZWNYGHAZ-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C(N)=O)C1 ZINC000338326496 353096302 /nfs/dbraw/zinc/09/63/02/353096302.db2.gz ZORBEQZWNYGHAZ-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP COC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000338380465 353099656 /nfs/dbraw/zinc/09/96/56/353099656.db2.gz ZCQQTJACNKMBBU-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H]1CO ZINC000338374549 353099745 /nfs/dbraw/zinc/09/97/45/353099745.db2.gz URWZNXDVZQFMIC-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H]1CO ZINC000338374549 353099747 /nfs/dbraw/zinc/09/97/47/353099747.db2.gz URWZNXDVZQFMIC-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOC)C1 ZINC000152294941 188007924 /nfs/dbraw/zinc/00/79/24/188007924.db2.gz IDNRNEIQTFQABC-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOC)C1 ZINC000152294941 188007926 /nfs/dbraw/zinc/00/79/26/188007926.db2.gz IDNRNEIQTFQABC-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP COC(=O)CNC(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152336943 188010740 /nfs/dbraw/zinc/01/07/40/188010740.db2.gz DYQGINHXUUBDBP-GFCCVEGCSA-N 2 1 285.388 -0.061 20 0 CBADMP COC(=O)CNC(=O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152336943 188010741 /nfs/dbraw/zinc/01/07/41/188010741.db2.gz DYQGINHXUUBDBP-GFCCVEGCSA-N 2 1 285.388 -0.061 20 0 CBADMP COC(=O)CNC(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152336943 188010743 /nfs/dbraw/zinc/01/07/43/188010743.db2.gz DYQGINHXUUBDBP-GFCCVEGCSA-N 2 1 285.388 -0.061 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@H]1CCC[C@@H]1[NH3+] ZINC000340117752 353151816 /nfs/dbraw/zinc/15/18/16/353151816.db2.gz DEDJDIFJMXZOHN-AGIUHOORSA-N 2 1 296.415 -0.040 20 0 CBADMP C[C@@H]([NH3+])CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000340176968 353154889 /nfs/dbraw/zinc/15/48/89/353154889.db2.gz KDKNDPAKMNIBRX-ZJUUUORDSA-N 2 1 256.350 -0.820 20 0 CBADMP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000340185251 353155039 /nfs/dbraw/zinc/15/50/39/353155039.db2.gz JTDXMVVMVCYYHJ-VXGBXAGGSA-N 2 1 256.394 -0.277 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000340207781 353156326 /nfs/dbraw/zinc/15/63/26/353156326.db2.gz WLWPRTYHKNAKKV-STQMWFEESA-N 2 1 296.415 -0.168 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340483003 353172784 /nfs/dbraw/zinc/17/27/84/353172784.db2.gz ZWNGCGFNMBGNKK-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)C[NH+](C)C ZINC000341267195 353207725 /nfs/dbraw/zinc/20/77/25/353207725.db2.gz SLVNHTSRBWGFNH-CHWSQXEVSA-N 2 1 270.421 -0.064 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000342765437 353231710 /nfs/dbraw/zinc/23/17/10/353231710.db2.gz OGXDVHSWUQPADP-JTQLQIEISA-N 2 1 289.401 -0.568 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000342736209 353230741 /nfs/dbraw/zinc/23/07/41/353230741.db2.gz MTVXKRJBVSPCDU-KOLCDFICSA-N 2 1 269.345 -0.380 20 0 CBADMP CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000343080686 353251355 /nfs/dbraw/zinc/25/13/55/353251355.db2.gz FHADRPWXUVTLGV-AWEZNQCLSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343413900 353271074 /nfs/dbraw/zinc/27/10/74/353271074.db2.gz WPTPQWKMPOWTMV-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@H]1CC[NH+](C)CCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343413900 353271076 /nfs/dbraw/zinc/27/10/76/353271076.db2.gz WPTPQWKMPOWTMV-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@H]1CC[NH+](C)CCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343413900 353271079 /nfs/dbraw/zinc/27/10/79/353271079.db2.gz WPTPQWKMPOWTMV-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000343453234 353273206 /nfs/dbraw/zinc/27/32/06/353273206.db2.gz HKAQARKALOECPB-DLOVCJGASA-N 2 1 283.372 -0.134 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000343453237 353273283 /nfs/dbraw/zinc/27/32/83/353273283.db2.gz HKAQARKALOECPB-USWWRNFRSA-N 2 1 283.372 -0.134 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@H+]1C ZINC000343286215 353264345 /nfs/dbraw/zinc/26/43/45/353264345.db2.gz XORIQPXPXZPCFF-MGPQQGTHSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1C ZINC000343286215 353264347 /nfs/dbraw/zinc/26/43/47/353264347.db2.gz XORIQPXPXZPCFF-MGPQQGTHSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC[NH+]1C ZINC000343286215 353264349 /nfs/dbraw/zinc/26/43/49/353264349.db2.gz XORIQPXPXZPCFF-MGPQQGTHSA-N 2 1 280.416 -0.025 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC[NH+](C)C2CC2)CC1 ZINC000343294822 353265354 /nfs/dbraw/zinc/26/53/54/353265354.db2.gz JXKGNIDKQKOJHG-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+]1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000343294822 353265356 /nfs/dbraw/zinc/26/53/56/353265356.db2.gz JXKGNIDKQKOJHG-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+]1CCCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000343294822 353265359 /nfs/dbraw/zinc/26/53/59/353265359.db2.gz JXKGNIDKQKOJHG-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1)C1CC1 ZINC000343315741 353266821 /nfs/dbraw/zinc/26/68/21/353266821.db2.gz YUXRLDYXIDXJGD-NSHDSACASA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000343315741 353266823 /nfs/dbraw/zinc/26/68/23/353266823.db2.gz YUXRLDYXIDXJGD-NSHDSACASA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000343315741 353266826 /nfs/dbraw/zinc/26/68/26/353266826.db2.gz YUXRLDYXIDXJGD-NSHDSACASA-N 2 1 294.399 -0.450 20 0 CBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343313737 353267075 /nfs/dbraw/zinc/26/70/75/353267075.db2.gz SNUAFDUDITVNGX-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000343324071 353268063 /nfs/dbraw/zinc/26/80/63/353268063.db2.gz PMJCIDPVVBPRDR-GXTWGEPZSA-N 2 1 278.400 -0.271 20 0 CBADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343324071 353268066 /nfs/dbraw/zinc/26/80/66/353268066.db2.gz PMJCIDPVVBPRDR-GXTWGEPZSA-N 2 1 278.400 -0.271 20 0 CBADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343324071 353268068 /nfs/dbraw/zinc/26/80/68/353268068.db2.gz PMJCIDPVVBPRDR-GXTWGEPZSA-N 2 1 278.400 -0.271 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000343584725 353280477 /nfs/dbraw/zinc/28/04/77/353280477.db2.gz BRCOWXVJNTUTEV-YPMHNXCESA-N 2 1 285.388 -0.280 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343573325 353279800 /nfs/dbraw/zinc/27/98/00/353279800.db2.gz YSEMAKSBPYCNCS-QWHCGFSZSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343573325 353279802 /nfs/dbraw/zinc/27/98/02/353279802.db2.gz YSEMAKSBPYCNCS-QWHCGFSZSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343573325 353279803 /nfs/dbraw/zinc/27/98/03/353279803.db2.gz YSEMAKSBPYCNCS-QWHCGFSZSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343573325 353279805 /nfs/dbraw/zinc/27/98/05/353279805.db2.gz YSEMAKSBPYCNCS-QWHCGFSZSA-N 2 1 266.389 -0.461 20 0 CBADMP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000345521857 353335198 /nfs/dbraw/zinc/33/51/98/353335198.db2.gz LTCXRQFKAPCTDH-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000346227786 353367125 /nfs/dbraw/zinc/36/71/25/353367125.db2.gz QSMCKZONDSNIDT-NEPJUHHUSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CC(F)F)C[C@@H]1C ZINC000345708642 353344596 /nfs/dbraw/zinc/34/45/96/353344596.db2.gz JNWHULMVYWAEHA-GUBZILKMSA-N 2 1 279.331 -0.118 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CC(F)F)C[C@@H]1C ZINC000345708642 353344597 /nfs/dbraw/zinc/34/45/97/353344597.db2.gz JNWHULMVYWAEHA-GUBZILKMSA-N 2 1 279.331 -0.118 20 0 CBADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(=O)n(C)c1=O ZINC000346863701 353394557 /nfs/dbraw/zinc/39/45/57/353394557.db2.gz XYUWUDZNQNBZEI-DRZSPHRISA-N 2 1 292.383 -0.357 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000346266754 353368638 /nfs/dbraw/zinc/36/86/38/353368638.db2.gz BAKPLTHJXVAQEP-XQQFMLRXSA-N 2 1 296.415 -0.040 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000346536696 353382010 /nfs/dbraw/zinc/38/20/10/353382010.db2.gz TXOOOBMLRVRDBN-WCQYABFASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CC[N@H+]1C ZINC000347993774 353404143 /nfs/dbraw/zinc/40/41/43/353404143.db2.gz BTDPZLCLHXQGMZ-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000261580348 137693905 /nfs/dbraw/zinc/69/39/05/137693905.db2.gz PYDYWGGJAVNCCP-LBPRGKRZSA-N 2 1 255.362 -0.345 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)CCOC2C[NH2+]C2)C[C@@H]1C ZINC000348993210 353443683 /nfs/dbraw/zinc/44/36/83/353443683.db2.gz JNTHNXFPNGJWKJ-LBPRGKRZSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@H+]1CCN(C(=O)CCOC2C[NH2+]C2)C[C@@H]1C ZINC000348993210 353443687 /nfs/dbraw/zinc/44/36/87/353443687.db2.gz JNTHNXFPNGJWKJ-LBPRGKRZSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000349008834 353444945 /nfs/dbraw/zinc/44/49/45/353444945.db2.gz WTOQIFOCFNMWGY-OLZOCXBDSA-N 2 1 299.415 -0.332 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@H](C)CC[NH3+])CC1 ZINC000349983495 353469436 /nfs/dbraw/zinc/46/94/36/353469436.db2.gz BIQVDAUKGXZAJM-GFCCVEGCSA-N 2 1 256.394 -0.133 20 0 CBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351496370 353475901 /nfs/dbraw/zinc/47/59/01/353475901.db2.gz RKCUFUGIHDTAEV-SRVKXCTJSA-N 2 1 255.362 -0.192 20 0 CBADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351496370 353475902 /nfs/dbraw/zinc/47/59/02/353475902.db2.gz RKCUFUGIHDTAEV-SRVKXCTJSA-N 2 1 255.362 -0.192 20 0 CBADMP C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000351518590 353475918 /nfs/dbraw/zinc/47/59/18/353475918.db2.gz CRBGHLVSYSMVDF-PWSUYJOCSA-N 2 1 282.388 -0.547 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+][C@H](CC(N)=O)C1CCOCC1)C1CC1 ZINC000351582827 353476064 /nfs/dbraw/zinc/47/60/64/353476064.db2.gz RPRICVCUVCFWQI-ZIAGYGMSSA-N 2 1 299.415 -0.298 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](CC(N)=O)C1CCOCC1)C1CC1 ZINC000351582827 353476067 /nfs/dbraw/zinc/47/60/67/353476067.db2.gz RPRICVCUVCFWQI-ZIAGYGMSSA-N 2 1 299.415 -0.298 20 0 CBADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351653437 353477181 /nfs/dbraw/zinc/47/71/81/353477181.db2.gz VRQHNKKYLXQYPB-JHJVBQTASA-N 2 1 269.389 -0.054 20 0 CBADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351653437 353477183 /nfs/dbraw/zinc/47/71/83/353477183.db2.gz VRQHNKKYLXQYPB-JHJVBQTASA-N 2 1 269.389 -0.054 20 0 CBADMP CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000352314914 353479567 /nfs/dbraw/zinc/47/95/67/353479567.db2.gz SLOJBEIBVLRBAL-LLVKDONJSA-N 2 1 263.407 -0.048 20 0 CBADMP CC(C)C[C@H]([NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353203321 353527543 /nfs/dbraw/zinc/52/75/43/353527543.db2.gz BJMYDYWQFQFLPE-ZDUSSCGKSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353216785 353528581 /nfs/dbraw/zinc/52/85/81/353528581.db2.gz WOXNVCWASJESPV-TZMCWYRMSA-N 2 1 298.431 -0.018 20 0 CBADMP [NH3+]C1(C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000353242881 353529953 /nfs/dbraw/zinc/52/99/53/353529953.db2.gz LPLSJOFTYSTNSE-UHFFFAOYSA-N 2 1 253.346 -0.199 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000353462838 353532335 /nfs/dbraw/zinc/53/23/35/353532335.db2.gz UAVLIZMTMIBKND-RYUDHWBXSA-N 2 1 273.377 -0.567 20 0 CBADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353441823 353532489 /nfs/dbraw/zinc/53/24/89/353532489.db2.gz QUWURTJYXBPWKS-MNOVXSKESA-N 2 1 284.404 -0.184 20 0 CBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353441823 353532491 /nfs/dbraw/zinc/53/24/91/353532491.db2.gz QUWURTJYXBPWKS-MNOVXSKESA-N 2 1 284.404 -0.184 20 0 CBADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H](N)CC(N)=O ZINC000353557806 353533266 /nfs/dbraw/zinc/53/32/66/353533266.db2.gz CGGPHWJXBXMLFG-GFCCVEGCSA-N 2 1 284.404 -0.088 20 0 CBADMP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]([NH3+])CC(N)=O ZINC000353557806 353533269 /nfs/dbraw/zinc/53/32/69/353533269.db2.gz CGGPHWJXBXMLFG-GFCCVEGCSA-N 2 1 284.404 -0.088 20 0 CBADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]([NH3+])CC(N)=O ZINC000353557806 353533271 /nfs/dbraw/zinc/53/32/71/353533271.db2.gz CGGPHWJXBXMLFG-GFCCVEGCSA-N 2 1 284.404 -0.088 20 0 CBADMP CC[N@H+](C)CCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000354017711 353538663 /nfs/dbraw/zinc/53/86/63/353538663.db2.gz BVFQFNJXPUNDGN-GFCCVEGCSA-N 2 1 256.394 -0.310 20 0 CBADMP CC[N@@H+](C)CCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000354017711 353538665 /nfs/dbraw/zinc/53/86/65/353538665.db2.gz BVFQFNJXPUNDGN-GFCCVEGCSA-N 2 1 256.394 -0.310 20 0 CBADMP CC[N@@H+](C)CCNS(=O)(=O)CCCN1CCOCC1 ZINC000354076031 353542416 /nfs/dbraw/zinc/54/24/16/353542416.db2.gz PUQYPOLXAGAZGZ-UHFFFAOYSA-N 2 1 293.433 -0.420 20 0 CBADMP CCN(C)CCNS(=O)(=O)CCCN1CCOCC1 ZINC000354076031 353542420 /nfs/dbraw/zinc/54/24/20/353542420.db2.gz PUQYPOLXAGAZGZ-UHFFFAOYSA-N 2 1 293.433 -0.420 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000355142127 353587659 /nfs/dbraw/zinc/58/76/59/353587659.db2.gz WCDDUTZCIQSKGL-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH2+]CCC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000357237729 353601375 /nfs/dbraw/zinc/60/13/75/353601375.db2.gz FTBXZLFEMFWUMN-LBPRGKRZSA-N 2 1 256.394 -0.404 20 0 CBADMP CC1CC[NH+](CC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358049656 353621153 /nfs/dbraw/zinc/62/11/53/353621153.db2.gz OWGMJVPYPOWZAX-CQSZACIVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@@H+](CC(=O)NC[C@]1(O)CC[NH+](C)C1)[C@H]1CCSC1 ZINC000358060297 353623094 /nfs/dbraw/zinc/62/30/94/353623094.db2.gz FGCXDCONEDWDDA-WCQYABFASA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@H+](C)C1)[C@H]1CCSC1 ZINC000358060297 353623097 /nfs/dbraw/zinc/62/30/97/353623097.db2.gz FGCXDCONEDWDDA-WCQYABFASA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[C@H]1CCSC1 ZINC000358060297 353623101 /nfs/dbraw/zinc/62/31/01/353623101.db2.gz FGCXDCONEDWDDA-WCQYABFASA-N 2 1 287.429 -0.394 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000358119596 353627634 /nfs/dbraw/zinc/62/76/34/353627634.db2.gz OTUMBMNBRRBMEU-STQMWFEESA-N 2 1 257.378 -0.637 20 0 CBADMP COCC[N@H+]1CC[C@H](NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000358119596 353627637 /nfs/dbraw/zinc/62/76/37/353627637.db2.gz OTUMBMNBRRBMEU-STQMWFEESA-N 2 1 257.378 -0.637 20 0 CBADMP COCC[NH+]1CC[C@H](NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000358119596 353627642 /nfs/dbraw/zinc/62/76/42/353627642.db2.gz OTUMBMNBRRBMEU-STQMWFEESA-N 2 1 257.378 -0.637 20 0 CBADMP COCC[NH+]1CC[C@H](NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000358119596 353627645 /nfs/dbraw/zinc/62/76/45/353627645.db2.gz OTUMBMNBRRBMEU-STQMWFEESA-N 2 1 257.378 -0.637 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000358139395 353628660 /nfs/dbraw/zinc/62/86/60/353628660.db2.gz RNKKZJGMCUTBJO-STQMWFEESA-N 2 1 284.404 -0.802 20 0 CBADMP CCNC(=O)NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358500176 353648282 /nfs/dbraw/zinc/64/82/82/353648282.db2.gz PFZHOXZRBHBESD-UHFFFAOYSA-N 2 1 268.361 -0.092 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2)C(=O)N(C)C ZINC000358503750 353648457 /nfs/dbraw/zinc/64/84/57/353648457.db2.gz FKTQJMCKCDZREV-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP O=C([C@H]1COCC[NH2+]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358506414 353648832 /nfs/dbraw/zinc/64/88/32/353648832.db2.gz KAYHDQUUUHELGE-LLVKDONJSA-N 2 1 253.346 -0.423 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CN1CCN([C@H]2COC[C@@H]2O)CC1 ZINC000361286210 353660812 /nfs/dbraw/zinc/66/08/12/353660812.db2.gz FTMMYGDQICBDKT-ILXRZTDVSA-N 2 1 283.416 -0.152 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C3C[NH2+]C3)C2)CC1 ZINC000364238407 353671096 /nfs/dbraw/zinc/67/10/96/353671096.db2.gz QVLIVEFHYFAKIS-GFCCVEGCSA-N 2 1 266.389 -0.510 20 0 CBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C3C[NH2+]C3)C2)CC1 ZINC000364238407 353671098 /nfs/dbraw/zinc/67/10/98/353671098.db2.gz QVLIVEFHYFAKIS-GFCCVEGCSA-N 2 1 266.389 -0.510 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000366951276 353679378 /nfs/dbraw/zinc/67/93/78/353679378.db2.gz JVFCKNVKPSYVCB-XQQFMLRXSA-N 2 1 284.404 -0.803 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000366951276 353679382 /nfs/dbraw/zinc/67/93/82/353679382.db2.gz JVFCKNVKPSYVCB-XQQFMLRXSA-N 2 1 284.404 -0.803 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)C1 ZINC000373624206 353734076 /nfs/dbraw/zinc/73/40/76/353734076.db2.gz QGRMCRXLMPPKLI-GRYCIOLGSA-N 2 1 271.361 -0.800 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000371490339 353702563 /nfs/dbraw/zinc/70/25/63/353702563.db2.gz DSBUOAWZQJBYHU-VHSXEESVSA-N 2 1 279.344 -0.060 20 0 CBADMP C[NH+](C)CCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000372366728 353715668 /nfs/dbraw/zinc/71/56/68/353715668.db2.gz CBTSXUVMBRSOAC-RYUDHWBXSA-N 2 1 270.377 -0.290 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCCNC1=O ZINC000374880470 353750321 /nfs/dbraw/zinc/75/03/21/353750321.db2.gz SODKKLSVIBVTEE-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCCNC1=O ZINC000374880470 353750323 /nfs/dbraw/zinc/75/03/23/353750323.db2.gz SODKKLSVIBVTEE-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)C1 ZINC000375065371 353753240 /nfs/dbraw/zinc/75/32/40/353753240.db2.gz NNAIUDZPGIDZJV-SDDRHHMPSA-N 2 1 273.352 -0.135 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)C1 ZINC000375065371 353753241 /nfs/dbraw/zinc/75/32/41/353753241.db2.gz NNAIUDZPGIDZJV-SDDRHHMPSA-N 2 1 273.352 -0.135 20 0 CBADMP CN1CCN(C(=O)C[N@H+]2CC[C@H]3CCN(C)C[C@@H]32)CC1 ZINC000375229764 353756108 /nfs/dbraw/zinc/75/61/08/353756108.db2.gz OYJGECRROZFSEX-KGLIPLIRSA-N 2 1 280.416 -0.214 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@@H]1C ZINC000375912352 353768757 /nfs/dbraw/zinc/76/87/57/353768757.db2.gz OULONCZEJHNLDT-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000375921809 353769656 /nfs/dbraw/zinc/76/96/56/353769656.db2.gz KQYYORPOJRCWBI-WDEREUQCSA-N 2 1 268.361 -0.996 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000375975571 353770556 /nfs/dbraw/zinc/77/05/56/353770556.db2.gz ROICQMRQQYKBCG-MVWJERBFSA-N 2 1 253.346 -0.426 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH2+]C3)C2)CC1 ZINC000377198689 353778001 /nfs/dbraw/zinc/77/80/01/353778001.db2.gz QSTOEYNNHUCFLB-STQMWFEESA-N 2 1 280.416 -0.119 20 0 CBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3CC[NH2+]C3)C2)CC1 ZINC000377198689 353778004 /nfs/dbraw/zinc/77/80/04/353778004.db2.gz QSTOEYNNHUCFLB-STQMWFEESA-N 2 1 280.416 -0.119 20 0 CBADMP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000377291997 353778059 /nfs/dbraw/zinc/77/80/59/353778059.db2.gz OLJFBDSPLKMBKL-RNJOBUHISA-N 2 1 267.373 -0.206 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)CC(N)=O ZINC000381276812 353783426 /nfs/dbraw/zinc/78/34/26/353783426.db2.gz TWMOJFWYANSWNT-SNVBAGLBSA-N 2 1 261.366 -0.831 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)CC(N)=O ZINC000381276812 353783427 /nfs/dbraw/zinc/78/34/27/353783427.db2.gz TWMOJFWYANSWNT-SNVBAGLBSA-N 2 1 261.366 -0.831 20 0 CBADMP CNC(=O)N[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000407982556 353816672 /nfs/dbraw/zinc/81/66/72/353816672.db2.gz HWFWONIFQAETBH-LBPRGKRZSA-N 2 1 297.403 -0.846 20 0 CBADMP CNC(=O)N[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000407982556 353816675 /nfs/dbraw/zinc/81/66/75/353816675.db2.gz HWFWONIFQAETBH-LBPRGKRZSA-N 2 1 297.403 -0.846 20 0 CBADMP Cn1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(=O)n(C)c1=O ZINC000392296904 353792845 /nfs/dbraw/zinc/79/28/45/353792845.db2.gz UPCQDECRQLXLEO-UHFFFAOYSA-N 2 1 278.356 -0.565 20 0 CBADMP CC(C)C(=O)NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000393188598 353792879 /nfs/dbraw/zinc/79/28/79/353792879.db2.gz VTZURRPHQIHWLR-GFCCVEGCSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000410474229 353929356 /nfs/dbraw/zinc/92/93/56/353929356.db2.gz KRSRLKBHBUIXBT-GFCCVEGCSA-N 2 1 284.404 -0.441 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000410497552 353929943 /nfs/dbraw/zinc/92/99/43/353929943.db2.gz KAUKPPJXYJCOGF-ZDUSSCGKSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CC2)C[C@H](C)[N@@H+]1CCO ZINC000418414210 353996912 /nfs/dbraw/zinc/99/69/12/353996912.db2.gz ZIUREXMVBSNFSV-LOWVWBTDSA-N 2 1 284.404 -0.180 20 0 CBADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000416789635 353972958 /nfs/dbraw/zinc/97/29/58/353972958.db2.gz KQJNLIMTRZCMDD-GFCCVEGCSA-N 2 1 270.377 -0.288 20 0 CBADMP CC(C)C[C@@H](CNC(=O)NCC[NH3+])[NH+]1CCOCC1 ZINC000416945415 353973759 /nfs/dbraw/zinc/97/37/59/353973759.db2.gz WKBFNXPDFHACGS-LBPRGKRZSA-N 2 1 272.393 -0.009 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCC[NH3+])C1 ZINC000416869327 353973861 /nfs/dbraw/zinc/97/38/61/353973861.db2.gz NBIJSOQTGOQAKQ-LBPRGKRZSA-N 2 1 272.393 -0.009 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)C[NH3+])C1 ZINC000416873440 353973968 /nfs/dbraw/zinc/97/39/68/353973968.db2.gz RQJAFCACVOQUMI-RYUDHWBXSA-N 2 1 272.393 -0.010 20 0 CBADMP CC[N@@H+](CCNC(=O)NC[C@H]1C[NH2+]CCO1)C1CC1 ZINC000417431885 353977520 /nfs/dbraw/zinc/97/75/20/353977520.db2.gz RZBVNEMTUAVCKV-GFCCVEGCSA-N 2 1 270.377 -0.242 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417438950 353977616 /nfs/dbraw/zinc/97/76/16/353977616.db2.gz KGVPKFFKPGPHJX-NEPJUHHUSA-N 2 1 270.377 -0.432 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH3+] ZINC000417569167 353979518 /nfs/dbraw/zinc/97/95/18/353979518.db2.gz QBONQDLTTWQKHM-NWDGAFQWSA-N 2 1 272.393 -0.009 20 0 CBADMP C[NH2+]CCNC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000417564947 353979643 /nfs/dbraw/zinc/97/96/43/353979643.db2.gz JZDDTPFQWVOOGO-NSHDSACASA-N 2 1 258.366 -0.384 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(CC[NH3+])CCO ZINC000417581817 353979831 /nfs/dbraw/zinc/97/98/31/353979831.db2.gz GUDCORUSJLEUPJ-LBPRGKRZSA-N 2 1 272.393 -0.177 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)C[NH3+] ZINC000417569168 353980024 /nfs/dbraw/zinc/98/00/24/353980024.db2.gz QBONQDLTTWQKHM-RYUDHWBXSA-N 2 1 272.393 -0.009 20 0 CBADMP C[C@H](CNC(=O)NCCN1CC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000417551282 353980092 /nfs/dbraw/zinc/98/00/92/353980092.db2.gz NVOVZYKHPNAGKW-GFCCVEGCSA-N 2 1 283.420 -0.327 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)NCC[NH+]1CCSCC1 ZINC000417610530 353980398 /nfs/dbraw/zinc/98/03/98/353980398.db2.gz NKMFBHDSLCVVGI-SNVBAGLBSA-N 2 1 260.407 -0.071 20 0 CBADMP C[C@H](CNC(=O)NC(C)(C)C[NH3+])C[NH+]1CCOCC1 ZINC000417725104 353981966 /nfs/dbraw/zinc/98/19/66/353981966.db2.gz LEPBCPFCCOQNJT-LLVKDONJSA-N 2 1 272.393 -0.009 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418394528 353997297 /nfs/dbraw/zinc/99/72/97/353997297.db2.gz XSPVUDXUUYVASL-GFCCVEGCSA-N 2 1 270.377 -0.288 20 0 CBADMP C[C@H](CNC(=O)N1CC[NH2+][C@H](C)C1)C[NH+]1CCOCC1 ZINC000417726251 353982406 /nfs/dbraw/zinc/98/24/06/353982406.db2.gz MLLQODGVVRXTKX-CHWSQXEVSA-N 2 1 284.404 -0.042 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417742469 353983262 /nfs/dbraw/zinc/98/32/62/353983262.db2.gz BCVNTTBMJMXMDZ-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417742479 353983484 /nfs/dbraw/zinc/98/34/84/353983484.db2.gz BDAPMSXKHYMAGM-BETUJISGSA-N 2 1 284.404 -0.185 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)CCC[N@H+]1C ZINC000417993284 353985359 /nfs/dbraw/zinc/98/53/59/353985359.db2.gz AKBFWVQZFMSHAN-GRYCIOLGSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)CCC[N@H+]1C ZINC000417993248 353985962 /nfs/dbraw/zinc/98/59/62/353985962.db2.gz AFOBPBGXJCBEKI-GRYCIOLGSA-N 2 1 270.377 -0.243 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)N(CC[NH3+])CCO)CC1 ZINC000418006184 353986747 /nfs/dbraw/zinc/98/67/47/353986747.db2.gz BUERQHOWCCHNBH-UHFFFAOYSA-N 2 1 270.377 -0.399 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@H+]1CCCOCC1 ZINC000418231804 353989201 /nfs/dbraw/zinc/98/92/01/353989201.db2.gz YFIFSHJKFZLDMJ-GFCCVEGCSA-N 2 1 272.393 -0.009 20 0 CBADMP C[NH2+]CCCNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000418279151 353990137 /nfs/dbraw/zinc/99/01/37/353990137.db2.gz OIOANZOTWSVTLL-VXGBXAGGSA-N 2 1 272.393 -0.308 20 0 CBADMP C[NH2+]CCCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000418279148 353990433 /nfs/dbraw/zinc/99/04/33/353990433.db2.gz OIOANZOTWSVTLL-NEPJUHHUSA-N 2 1 272.393 -0.308 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418328051 353993812 /nfs/dbraw/zinc/99/38/12/353993812.db2.gz AJXZSJWTUFHFLZ-OLZOCXBDSA-N 2 1 286.420 -0.012 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418328055 353993879 /nfs/dbraw/zinc/99/38/79/353993879.db2.gz AJXZSJWTUFHFLZ-QWHCGFSZSA-N 2 1 286.420 -0.012 20 0 CBADMP C[NH2+]CCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000418329888 353993945 /nfs/dbraw/zinc/99/39/45/353993945.db2.gz OSGOAAYEZAQFHA-NSHDSACASA-N 2 1 272.393 -0.308 20 0 CBADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)N[C@@H]1CCC[NH2+]C1 ZINC000418375629 353994711 /nfs/dbraw/zinc/99/47/11/353994711.db2.gz FAKVZIGYDUETQM-CHWSQXEVSA-N 2 1 284.404 -0.116 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418385125 353995725 /nfs/dbraw/zinc/99/57/25/353995725.db2.gz PQHAGJVTONLOGK-LLVKDONJSA-N 2 1 258.366 -0.648 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000418376212 353995912 /nfs/dbraw/zinc/99/59/12/353995912.db2.gz FWLGXGVZLRTWFT-NEPJUHHUSA-N 2 1 299.419 -0.391 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000418389577 353996170 /nfs/dbraw/zinc/99/61/70/353996170.db2.gz OGSMJBWPWDRYKJ-UPJWGTAASA-N 2 1 286.420 -0.062 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419279052 354043550 /nfs/dbraw/zinc/04/35/50/354043550.db2.gz BZBHCAWUHBIIDK-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC([NH3+])(CC)CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000418426151 353998275 /nfs/dbraw/zinc/99/82/75/353998275.db2.gz LPPRBSYQHSAPPR-ZDUSSCGKSA-N 2 1 272.393 -0.130 20 0 CBADMP C[C@H](C[NH3+])NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000418509560 353999928 /nfs/dbraw/zinc/99/99/28/353999928.db2.gz GISGBKCDUASVNY-MXWKQRLJSA-N 2 1 258.366 -0.570 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000418527769 354001163 /nfs/dbraw/zinc/00/11/63/354001163.db2.gz UBFPIUDATRRXOF-SNVBAGLBSA-N 2 1 294.346 -0.274 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000418527769 354001168 /nfs/dbraw/zinc/00/11/68/354001168.db2.gz UBFPIUDATRRXOF-SNVBAGLBSA-N 2 1 294.346 -0.274 20 0 CBADMP C[C@H](C[NH3+])NC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000418516476 354001267 /nfs/dbraw/zinc/00/12/67/354001267.db2.gz SFBHDFKLEGIRKH-GFCCVEGCSA-N 2 1 273.425 -0.142 20 0 CBADMP C[C@H](C[NH3+])NC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000418516476 354001273 /nfs/dbraw/zinc/00/12/73/354001273.db2.gz SFBHDFKLEGIRKH-GFCCVEGCSA-N 2 1 273.425 -0.142 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000418520371 354001398 /nfs/dbraw/zinc/00/13/98/354001398.db2.gz DAIHZNWOMQPSMJ-JTQLQIEISA-N 2 1 294.346 -0.274 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000418520371 354001400 /nfs/dbraw/zinc/00/14/00/354001400.db2.gz DAIHZNWOMQPSMJ-JTQLQIEISA-N 2 1 294.346 -0.274 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000418611141 354004447 /nfs/dbraw/zinc/00/44/47/354004447.db2.gz GVRUDCFZSIXMPO-WDEREUQCSA-N 2 1 272.393 -0.180 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000418737820 354006248 /nfs/dbraw/zinc/00/62/48/354006248.db2.gz WFSCOYVXLOETAP-TUAOUCFPSA-N 2 1 272.393 -0.180 20 0 CBADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])[C@@H]1c1ccccc1 ZINC000418912902 354015149 /nfs/dbraw/zinc/01/51/49/354015149.db2.gz RXIHJFOOFBVPCB-OLZOCXBDSA-N 2 1 290.367 -0.377 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC000418991437 354020051 /nfs/dbraw/zinc/02/00/51/354020051.db2.gz XSODMFFYCCKYEX-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000419033209 354026522 /nfs/dbraw/zinc/02/65/22/354026522.db2.gz YFEPTQHKKQZHIT-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCC[NH3+])C1 ZINC000419046180 354026588 /nfs/dbraw/zinc/02/65/88/354026588.db2.gz PFZJQRIFLLIUDE-LLVKDONJSA-N 2 1 284.404 -0.312 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419080739 354027527 /nfs/dbraw/zinc/02/75/27/354027527.db2.gz QFMCJNRPRWOAQE-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419083622 354027565 /nfs/dbraw/zinc/02/75/65/354027565.db2.gz XAPMLILZFDQDSF-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000419100690 354028884 /nfs/dbraw/zinc/02/88/84/354028884.db2.gz JEJTVSHUFSUVIU-AAEUAGOBSA-N 2 1 296.415 -0.170 20 0 CBADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000419131307 354029344 /nfs/dbraw/zinc/02/93/44/354029344.db2.gz CJKRGCXVHDGACL-NSHDSACASA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)C1CC1 ZINC000419113955 354029817 /nfs/dbraw/zinc/02/98/17/354029817.db2.gz WVBZXCOFSYQWGO-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419133676 354030403 /nfs/dbraw/zinc/03/04/03/354030403.db2.gz GHZACBVNPQPQRL-WDEREUQCSA-N 2 1 280.372 -0.840 20 0 CBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000419155811 354033771 /nfs/dbraw/zinc/03/37/71/354033771.db2.gz UPTRQVXXZYJFOP-NWDGAFQWSA-N 2 1 296.415 -0.171 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419281806 354043353 /nfs/dbraw/zinc/04/33/53/354043353.db2.gz HCHOFBLYAUPBKY-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH2+]1 ZINC000419159512 354034047 /nfs/dbraw/zinc/03/40/47/354034047.db2.gz ZKABQYJMYUFLFC-WDEREUQCSA-N 2 1 280.372 -0.840 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000419171571 354035676 /nfs/dbraw/zinc/03/56/76/354035676.db2.gz PFPALPVBXTWZSJ-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419215566 354037270 /nfs/dbraw/zinc/03/72/70/354037270.db2.gz ABXBSPHIWLZSPX-ZDUSSCGKSA-N 2 1 294.399 -0.377 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000419224844 354038021 /nfs/dbraw/zinc/03/80/21/354038021.db2.gz NUQKZFAKWUAKHN-ZDUSSCGKSA-N 2 1 296.415 -0.274 20 0 CBADMP [NH3+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419224959 354039119 /nfs/dbraw/zinc/03/91/19/354039119.db2.gz GIJWIPNWDLUNIE-ZDUSSCGKSA-N 2 1 296.415 -0.168 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000419227937 354039323 /nfs/dbraw/zinc/03/93/23/354039323.db2.gz UCOBSIYKZIOJMF-UHFFFAOYSA-N 2 1 294.399 -0.424 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000419554676 354061808 /nfs/dbraw/zinc/06/18/08/354061808.db2.gz ICLKTGHIIQVXRG-GRYCIOLGSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)C[C@@H]1[NH3+] ZINC000419562756 354061855 /nfs/dbraw/zinc/06/18/55/354061855.db2.gz VOXPFMWFVHZRDN-NOOOWODRSA-N 2 1 282.388 -0.609 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419566010 354062139 /nfs/dbraw/zinc/06/21/39/354062139.db2.gz ZJGQLTGGAMJWNI-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419575745 354062817 /nfs/dbraw/zinc/06/28/17/354062817.db2.gz BCRRLFYUTYDLLW-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCC[N@H+]1C ZINC000419563766 354062876 /nfs/dbraw/zinc/06/28/76/354062876.db2.gz WWQMKZNZWLFUNB-USWWRNFRSA-N 2 1 282.388 -0.561 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419577371 354063308 /nfs/dbraw/zinc/06/33/08/354063308.db2.gz CYVCPKRDYVBXMC-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000419584464 354063641 /nfs/dbraw/zinc/06/36/41/354063641.db2.gz KVBOVYXNCDLOQH-MNOVXSKESA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419578548 354063744 /nfs/dbraw/zinc/06/37/44/354063744.db2.gz FCGZJWOQENOMPR-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419577885 354063890 /nfs/dbraw/zinc/06/38/90/354063890.db2.gz DFUWSJGYTGNZLP-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419578055 354064101 /nfs/dbraw/zinc/06/41/01/354064101.db2.gz DTVJKOJXDFRNBD-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000419585263 354064250 /nfs/dbraw/zinc/06/42/50/354064250.db2.gz LWBCQIWODZHVKK-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419577879 354064259 /nfs/dbraw/zinc/06/42/59/354064259.db2.gz DFUWSJGYTGNZLP-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[N@@H+](C)C1CC1 ZINC000419590817 354064892 /nfs/dbraw/zinc/06/48/92/354064892.db2.gz QLTOZZWVBUPBAL-GHMZBOCLSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419595451 354064986 /nfs/dbraw/zinc/06/49/86/354064986.db2.gz WVWZJIDVAQSXFY-GFCCVEGCSA-N 2 1 296.415 -0.025 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@H+](C)C1CC1 ZINC000419594772 354065142 /nfs/dbraw/zinc/06/51/42/354065142.db2.gz VJAPDJMZPVVLCM-MRVPVSSYSA-N 2 1 292.330 -0.705 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@@H+](C)C1CC1 ZINC000419594772 354065145 /nfs/dbraw/zinc/06/51/45/354065145.db2.gz VJAPDJMZPVVLCM-MRVPVSSYSA-N 2 1 292.330 -0.705 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[N@@H+](C)C1CC1 ZINC000419591446 354065186 /nfs/dbraw/zinc/06/51/86/354065186.db2.gz RCXHDZXANKAGIQ-IJLUTSLNSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419586304 354065292 /nfs/dbraw/zinc/06/52/92/354065292.db2.gz MTCCJHYHFBRRMK-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[N@@H+](C)C1CC1 ZINC000419594222 354065471 /nfs/dbraw/zinc/06/54/71/354065471.db2.gz UNRBEROGFKKYCA-WDEREUQCSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000419590903 354065672 /nfs/dbraw/zinc/06/56/72/354065672.db2.gz QUKZTBRORVYRGE-NXEZZACHSA-N 2 1 270.377 -0.704 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000419694286 354069778 /nfs/dbraw/zinc/06/97/78/354069778.db2.gz KFWCEXWHRVDAME-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NCCC[NH3+])C1CCCC1 ZINC000419692827 354070316 /nfs/dbraw/zinc/07/03/16/354070316.db2.gz HTTIBCZKUTUWGI-UHFFFAOYSA-N 2 1 270.377 -0.558 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419692822 354070413 /nfs/dbraw/zinc/07/04/13/354070413.db2.gz HRDGNIYUTXTDGN-RYUDHWBXSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419690806 354070493 /nfs/dbraw/zinc/07/04/93/354070493.db2.gz CROJIOGHAQVGSB-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000419700617 354071498 /nfs/dbraw/zinc/07/14/98/354071498.db2.gz XUDSSVAZZRNEHG-VXGBXAGGSA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419719343 354072153 /nfs/dbraw/zinc/07/21/53/354072153.db2.gz CJNNCAFWTPWJOZ-ZYHUDNBSSA-N 2 1 282.388 -0.417 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419758165 354074945 /nfs/dbraw/zinc/07/49/45/354074945.db2.gz DPQRUCKDBJTVDY-LLVKDONJSA-N 2 1 272.393 -0.455 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419766609 354075785 /nfs/dbraw/zinc/07/57/85/354075785.db2.gz RTLUSTLEGVZCBS-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419774783 354077630 /nfs/dbraw/zinc/07/76/30/354077630.db2.gz IEWPAUDELKXHGU-SECBINFHSA-N 2 1 294.346 -0.457 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419780239 354077741 /nfs/dbraw/zinc/07/77/41/354077741.db2.gz QNOYFHMEDJRNOE-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419821058 354080166 /nfs/dbraw/zinc/08/01/66/354080166.db2.gz KRSAFZTVZRQSIB-FRRDWIJNSA-N 2 1 296.415 -0.156 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419837670 354081903 /nfs/dbraw/zinc/08/19/03/354081903.db2.gz XBHPEQHQRJACIV-AVGNSLFASA-N 2 1 294.399 -0.402 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCC[NH3+])C[C@@H]1C ZINC000419833614 354082360 /nfs/dbraw/zinc/08/23/60/354082360.db2.gz QDRLXSQVUQXJMP-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCC[NH3+])C[C@@H]1C ZINC000419833614 354082362 /nfs/dbraw/zinc/08/23/62/354082362.db2.gz QDRLXSQVUQXJMP-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCCC[NH3+])C[C@H]1C ZINC000419836071 354082457 /nfs/dbraw/zinc/08/24/57/354082457.db2.gz XAWWXNINVXMRIQ-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCCC[NH3+])C[C@H]1C ZINC000419836071 354082460 /nfs/dbraw/zinc/08/24/60/354082460.db2.gz XAWWXNINVXMRIQ-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419837672 354082564 /nfs/dbraw/zinc/08/25/64/354082564.db2.gz XBHPEQHQRJACIV-XQQFMLRXSA-N 2 1 294.399 -0.402 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCCC[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000419841794 354082916 /nfs/dbraw/zinc/08/29/16/354082916.db2.gz UTZWGXZYMFPOHA-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCCC[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000419841787 354083252 /nfs/dbraw/zinc/08/32/52/354083252.db2.gz UTZWGXZYMFPOHA-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH2+]C ZINC000419841611 354083304 /nfs/dbraw/zinc/08/33/04/354083304.db2.gz GLFTWSPKIVCHPB-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419285503 354044077 /nfs/dbraw/zinc/04/40/77/354044077.db2.gz MNDNVIBPYYBPKL-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419292361 354044618 /nfs/dbraw/zinc/04/46/18/354044618.db2.gz YMCRGGPKKGGATF-GFCCVEGCSA-N 2 1 286.420 -0.066 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH3+] ZINC000419289989 354044879 /nfs/dbraw/zinc/04/48/79/354044879.db2.gz UQMQWVUPGMMMRU-UHFFFAOYSA-N 2 1 258.366 -0.748 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419285498 354044924 /nfs/dbraw/zinc/04/49/24/354044924.db2.gz MNDNVIBPYYBPKL-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C[N@H+]1C1CC1 ZINC000419316928 354045493 /nfs/dbraw/zinc/04/54/93/354045493.db2.gz MJDWSOAKMJBNEO-XWIASGKRSA-N 2 1 294.399 -0.419 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[N@H+]1C1CC1 ZINC000419316671 354045960 /nfs/dbraw/zinc/04/59/60/354045960.db2.gz LOWDFFROQGDGNG-SRVKXCTJSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419333494 354046829 /nfs/dbraw/zinc/04/68/29/354046829.db2.gz MGDOFNUKSBUJBS-GMXVVIOVSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419333987 354047274 /nfs/dbraw/zinc/04/72/74/354047274.db2.gz MUSXMJZPCCXYOK-PWSUYJOCSA-N 2 1 280.372 -0.983 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000419322900 354047388 /nfs/dbraw/zinc/04/73/88/354047388.db2.gz SYTYYAOASWUPIH-UTUOFQBUSA-N 2 1 294.399 -0.404 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C(C)C ZINC000419871979 354087327 /nfs/dbraw/zinc/08/73/27/354087327.db2.gz TYEYSNUHLWEBHY-GFCCVEGCSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419402690 354051550 /nfs/dbraw/zinc/05/15/50/354051550.db2.gz CVPGDRACMIKZSP-QWHCGFSZSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C[C@@H]1C ZINC000419871372 354087388 /nfs/dbraw/zinc/08/73/88/354087388.db2.gz SPPIZSFJGPMFNL-GVXVVHGQSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C[C@@H]1C ZINC000419871372 354087391 /nfs/dbraw/zinc/08/73/91/354087391.db2.gz SPPIZSFJGPMFNL-GVXVVHGQSA-N 2 1 296.415 -0.219 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419409622 354052476 /nfs/dbraw/zinc/05/24/76/354052476.db2.gz NFRYIYQMUVTYNY-OLZOCXBDSA-N 2 1 298.431 -0.194 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000419408867 354052504 /nfs/dbraw/zinc/05/25/04/354052504.db2.gz MFUVFCYVMHEBME-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419419087 354053050 /nfs/dbraw/zinc/05/30/50/354053050.db2.gz YVRZDFDOABPREJ-OLZOCXBDSA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419415206 354053108 /nfs/dbraw/zinc/05/31/08/354053108.db2.gz UWVHNXZSZYVUNN-VXGBXAGGSA-N 2 1 284.404 -0.455 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419509200 354056828 /nfs/dbraw/zinc/05/68/28/354056828.db2.gz DODHTFQDFQOLKK-MNOVXSKESA-N 2 1 272.393 -0.456 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419529436 354058176 /nfs/dbraw/zinc/05/81/76/354058176.db2.gz XTBIXCFVZGZPEH-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419526950 354058484 /nfs/dbraw/zinc/05/84/84/354058484.db2.gz ULWZHARJWQWGHU-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419524562 354058532 /nfs/dbraw/zinc/05/85/32/354058532.db2.gz QFQDXTIHNAUWMR-JQWIXIFHSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419526355 354058607 /nfs/dbraw/zinc/05/86/07/354058607.db2.gz STNRKFGXZFICAX-FRRDWIJNSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)C1CC1 ZINC000419524516 354058640 /nfs/dbraw/zinc/05/86/40/354058640.db2.gz PXJBHOHSFVXLHY-SNVBAGLBSA-N 2 1 268.361 -0.854 20 0 CBADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419526988 354058736 /nfs/dbraw/zinc/05/87/36/354058736.db2.gz UPDRFDYZSHGMGZ-VIFPVBQESA-N 2 1 294.346 -0.457 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419526988 354058738 /nfs/dbraw/zinc/05/87/38/354058738.db2.gz UPDRFDYZSHGMGZ-VIFPVBQESA-N 2 1 294.346 -0.457 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419524934 354058847 /nfs/dbraw/zinc/05/88/47/354058847.db2.gz QPNOGXDGUUSHHI-RWMBFGLXSA-N 2 1 296.415 -0.489 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419874071 354087700 /nfs/dbraw/zinc/08/77/00/354087700.db2.gz VTYOVNXIVBLYMH-GFCCVEGCSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCC[N@H+]1C ZINC000419543756 354060594 /nfs/dbraw/zinc/06/05/94/354060594.db2.gz GRLVFJTZQOAHMZ-UPJWGTAASA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000419557091 354061277 /nfs/dbraw/zinc/06/12/77/354061277.db2.gz LUKMAYHZFYDTOM-CYDGBPFRSA-N 2 1 296.415 -0.158 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419887258 354089548 /nfs/dbraw/zinc/08/95/48/354089548.db2.gz DEXKYOOSKYZYIP-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]CC)C1 ZINC000419887827 354089603 /nfs/dbraw/zinc/08/96/03/354089603.db2.gz JHHZYYINQCCGSU-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000419897893 354091951 /nfs/dbraw/zinc/09/19/51/354091951.db2.gz WMSORNCPVFMGKF-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000419899241 354092109 /nfs/dbraw/zinc/09/21/09/354092109.db2.gz YDICQSOVZZGOJI-UHFFFAOYSA-N 2 1 284.404 -0.488 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419913193 354093207 /nfs/dbraw/zinc/09/32/07/354093207.db2.gz YNFYXFVWADHZND-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419949622 354096659 /nfs/dbraw/zinc/09/66/59/354096659.db2.gz LLQJFFOYWFIKIP-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000419960269 354097513 /nfs/dbraw/zinc/09/75/13/354097513.db2.gz WDTYQMBXCCCJQE-QWHCGFSZSA-N 2 1 298.431 -0.243 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000419960269 354097516 /nfs/dbraw/zinc/09/75/16/354097516.db2.gz WDTYQMBXCCCJQE-QWHCGFSZSA-N 2 1 298.431 -0.243 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000419973314 354098255 /nfs/dbraw/zinc/09/82/55/354098255.db2.gz HPTKPIDDOQPNLN-LBPRGKRZSA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000419989598 354100465 /nfs/dbraw/zinc/10/04/65/354100465.db2.gz GWRFIPGBBYXETC-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000420020997 354102927 /nfs/dbraw/zinc/10/29/27/354102927.db2.gz GRGPEWNTXIFGKK-QJPTWQEYSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000420021005 354102954 /nfs/dbraw/zinc/10/29/54/354102954.db2.gz GRGPEWNTXIFGKK-UTUOFQBUSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H](C)C[NH3+])C[C@H]1C ZINC000420023044 354103287 /nfs/dbraw/zinc/10/32/87/354103287.db2.gz WTWUXPCTURTZFX-HBNTYKKESA-N 2 1 270.377 -0.609 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H](C)C[NH3+])C[C@H]1C ZINC000420023044 354103289 /nfs/dbraw/zinc/10/32/89/354103289.db2.gz WTWUXPCTURTZFX-HBNTYKKESA-N 2 1 270.377 -0.609 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000420021106 354103317 /nfs/dbraw/zinc/10/33/17/354103317.db2.gz UALRVIBLLUNRPC-NWDGAFQWSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420035880 354104958 /nfs/dbraw/zinc/10/49/58/354104958.db2.gz KORNPCLDZLYSIK-ZDUSSCGKSA-N 2 1 296.415 -0.360 20 0 CBADMP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000420036746 354105363 /nfs/dbraw/zinc/10/53/63/354105363.db2.gz LHFUUWUYEFRVKQ-CYBMUJFWSA-N 2 1 294.399 -0.606 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C[C@@H]1C ZINC000420054862 354106208 /nfs/dbraw/zinc/10/62/08/354106208.db2.gz FWFDEFPRIJZWPM-GMXVVIOVSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C[C@@H]1C ZINC000420054862 354106210 /nfs/dbraw/zinc/10/62/10/354106210.db2.gz FWFDEFPRIJZWPM-GMXVVIOVSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C(C)C ZINC000420065385 354106966 /nfs/dbraw/zinc/10/69/66/354106966.db2.gz PQTTYEFGKVSDCO-GFCCVEGCSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000420137243 354110732 /nfs/dbraw/zinc/11/07/32/354110732.db2.gz DLDVRLDTZNKTGB-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420153340 354114233 /nfs/dbraw/zinc/11/42/33/354114233.db2.gz QBJHQMDACCVRDJ-UHFFFAOYSA-N 2 1 294.346 -0.505 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420178744 354117121 /nfs/dbraw/zinc/11/71/21/354117121.db2.gz UMKFZNPJGBBLKT-UHFFFAOYSA-N 2 1 292.330 -0.749 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420284753 354121824 /nfs/dbraw/zinc/12/18/24/354121824.db2.gz DKKUADWVMFJJDT-WDEREUQCSA-N 2 1 271.361 -0.275 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420284753 354121825 /nfs/dbraw/zinc/12/18/25/354121825.db2.gz DKKUADWVMFJJDT-WDEREUQCSA-N 2 1 271.361 -0.275 20 0 CBADMP OCC[N@@H+](CCOCC(F)(F)F)CCN1CC[NH2+]CC1 ZINC000420303880 354121946 /nfs/dbraw/zinc/12/19/46/354121946.db2.gz NVJXJVFRFVPYMA-UHFFFAOYSA-N 2 1 299.337 -0.235 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420318657 354122410 /nfs/dbraw/zinc/12/24/10/354122410.db2.gz OIGQRNQZLKYFTD-GHMZBOCLSA-N 2 1 263.407 -0.015 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321574 354122981 /nfs/dbraw/zinc/12/29/81/354122981.db2.gz CXCCWKFAGZBLCU-CHWSQXEVSA-N 2 1 297.399 -0.013 20 0 CBADMP O=C1CNCCN1[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420309642 354123023 /nfs/dbraw/zinc/12/30/23/354123023.db2.gz OYEZOYFQLLKQBE-UONOGXRCSA-N 2 1 280.416 -0.118 20 0 CBADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000420345920 354124140 /nfs/dbraw/zinc/12/41/40/354124140.db2.gz WVXDKIMSGLYJTC-CHWSQXEVSA-N 2 1 294.399 -0.734 20 0 CBADMP C[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)C[C@@H](O)C[NH3+] ZINC000420349677 354124199 /nfs/dbraw/zinc/12/41/99/354124199.db2.gz DOXGKIARKMIURL-LBPRGKRZSA-N 2 1 294.355 -0.024 20 0 CBADMP COC(=O)[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000420363640 354125222 /nfs/dbraw/zinc/12/52/22/354125222.db2.gz PPTSMGOULFORCT-GFCCVEGCSA-N 2 1 283.372 -0.307 20 0 CBADMP COC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420356727 354125332 /nfs/dbraw/zinc/12/53/32/354125332.db2.gz GUVNXUFVNGDDNC-GFCCVEGCSA-N 2 1 283.372 -0.164 20 0 CBADMP COC(=O)[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420356727 354125334 /nfs/dbraw/zinc/12/53/34/354125334.db2.gz GUVNXUFVNGDDNC-GFCCVEGCSA-N 2 1 283.372 -0.164 20 0 CBADMP COC(=O)C[C@H]1C(=O)NCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420358917 354125370 /nfs/dbraw/zinc/12/53/70/354125370.db2.gz JUXKVTHSYMRCGW-NEPJUHHUSA-N 2 1 283.372 -0.260 20 0 CBADMP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420358917 354125372 /nfs/dbraw/zinc/12/53/72/354125372.db2.gz JUXKVTHSYMRCGW-NEPJUHHUSA-N 2 1 283.372 -0.260 20 0 CBADMP C[NH2+]CCC[N@@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000420393691 354126323 /nfs/dbraw/zinc/12/63/23/354126323.db2.gz QQMROHZVSNJRCS-UHFFFAOYSA-N 2 1 256.394 -0.308 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C[C@@H]1[NH3+] ZINC000423232998 354166004 /nfs/dbraw/zinc/16/60/04/354166004.db2.gz DAMBNIQKEFYXIQ-WOPDTQHZSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000423333577 354169459 /nfs/dbraw/zinc/16/94/59/354169459.db2.gz RXRBEJMBTIDBJH-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000423354190 354171168 /nfs/dbraw/zinc/17/11/68/354171168.db2.gz FRCXNYMXQKEGEI-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000423354190 354171173 /nfs/dbraw/zinc/17/11/73/354171173.db2.gz FRCXNYMXQKEGEI-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000423363877 354172512 /nfs/dbraw/zinc/17/25/12/354172512.db2.gz CBGFGJIRJUXNMT-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000423394070 354174788 /nfs/dbraw/zinc/17/47/88/354174788.db2.gz ZLAGWKBZVWXQBH-NWDGAFQWSA-N 2 1 255.362 -0.049 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000423405791 354174799 /nfs/dbraw/zinc/17/47/99/354174799.db2.gz ZRQSRZWIQGBGCD-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000423426191 354175753 /nfs/dbraw/zinc/17/57/53/354175753.db2.gz MZSDLLRNODCYLR-AXFHLTTASA-N 2 1 269.345 -0.428 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000423426191 354175754 /nfs/dbraw/zinc/17/57/54/354175754.db2.gz MZSDLLRNODCYLR-AXFHLTTASA-N 2 1 269.345 -0.428 20 0 CBADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000422041625 354142568 /nfs/dbraw/zinc/14/25/68/354142568.db2.gz UPDFTNUDOSLJKB-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000422041625 354142571 /nfs/dbraw/zinc/14/25/71/354142571.db2.gz UPDFTNUDOSLJKB-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000422041625 354142573 /nfs/dbraw/zinc/14/25/73/354142573.db2.gz UPDFTNUDOSLJKB-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000422041625 354142578 /nfs/dbraw/zinc/14/25/78/354142578.db2.gz UPDFTNUDOSLJKB-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000422706125 354151438 /nfs/dbraw/zinc/15/14/38/354151438.db2.gz DNLIBTMGJGBSFL-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000422706125 354151442 /nfs/dbraw/zinc/15/14/42/354151442.db2.gz DNLIBTMGJGBSFL-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000422699663 354151568 /nfs/dbraw/zinc/15/15/68/354151568.db2.gz AXUGAKVWGCWIMY-AWEZNQCLSA-N 2 1 298.431 -0.493 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000422976088 354158357 /nfs/dbraw/zinc/15/83/57/354158357.db2.gz UOEAJAOOHOKFST-RYUDHWBXSA-N 2 1 282.388 -0.608 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000422970867 354158435 /nfs/dbraw/zinc/15/84/35/354158435.db2.gz HHOFYQXMHVPYMW-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000422965690 354158676 /nfs/dbraw/zinc/15/86/76/354158676.db2.gz PKYDFHZXWOFIPJ-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000423121732 354162717 /nfs/dbraw/zinc/16/27/17/354162717.db2.gz BHRJIFUPZUEMFY-CYBMUJFWSA-N 2 1 294.399 -0.510 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423121208 354162813 /nfs/dbraw/zinc/16/28/13/354162813.db2.gz IGIFVNYRYFPJNB-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000423596575 354182361 /nfs/dbraw/zinc/18/23/61/354182361.db2.gz RXQKVYJDEFZCKH-GFCCVEGCSA-N 2 1 282.388 -0.641 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000423607031 354183975 /nfs/dbraw/zinc/18/39/75/354183975.db2.gz IURHSCMGBRIGNR-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000423611652 354184730 /nfs/dbraw/zinc/18/47/30/354184730.db2.gz SLRQSQKBLBUBOY-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C[C@H](C)[N@H+]1C ZINC000423640761 354187577 /nfs/dbraw/zinc/18/75/77/354187577.db2.gz KHRFCCVDLLXWIX-TXEJJXNPSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C[C@H](C)[N@@H+]1C ZINC000423640761 354187581 /nfs/dbraw/zinc/18/75/81/354187581.db2.gz KHRFCCVDLLXWIX-TXEJJXNPSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423653610 354189458 /nfs/dbraw/zinc/18/94/58/354189458.db2.gz ZKCKHQIGZLWYQH-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423693875 354191762 /nfs/dbraw/zinc/19/17/62/354191762.db2.gz AIVTVEQYCYWISP-LBPRGKRZSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC[NH2+]1 ZINC000423694538 354191790 /nfs/dbraw/zinc/19/17/90/354191790.db2.gz GERLXOCMQBMGNP-IUODEOHRSA-N 2 1 294.399 -0.639 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423727204 354194257 /nfs/dbraw/zinc/19/42/57/354194257.db2.gz QTANVGSASGFHMH-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000423730432 354194977 /nfs/dbraw/zinc/19/49/77/354194977.db2.gz XXZBTSAKYYBWOM-NSHDSACASA-N 2 1 282.388 -0.654 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423731190 354195217 /nfs/dbraw/zinc/19/52/17/354195217.db2.gz YPKWFDPZFCBNMH-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000423748915 354196822 /nfs/dbraw/zinc/19/68/22/354196822.db2.gz ZWYPXHNEVJHFHI-STQMWFEESA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000423748913 354197066 /nfs/dbraw/zinc/19/70/66/354197066.db2.gz ZWYPXHNEVJHFHI-QWHCGFSZSA-N 2 1 296.415 -0.265 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000423857849 354201626 /nfs/dbraw/zinc/20/16/26/354201626.db2.gz BGTGMAIXCCFBGY-VXGBXAGGSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000423857849 354201629 /nfs/dbraw/zinc/20/16/29/354201629.db2.gz BGTGMAIXCCFBGY-VXGBXAGGSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)COC2C[NH2+]C2)[C@H](C)C1 ZINC000423857476 354201693 /nfs/dbraw/zinc/20/16/93/354201693.db2.gz ANZXGLWIGHHMHI-LLVKDONJSA-N 2 1 299.371 -0.929 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)COC2C[NH2+]C2)[C@H](C)C1 ZINC000423857476 354201697 /nfs/dbraw/zinc/20/16/97/354201697.db2.gz ANZXGLWIGHHMHI-LLVKDONJSA-N 2 1 299.371 -0.929 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423850537 354201780 /nfs/dbraw/zinc/20/17/80/354201780.db2.gz QGVNGPKZJLJOMN-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423850538 354202089 /nfs/dbraw/zinc/20/20/89/354202089.db2.gz QGVNGPKZJLJOMN-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423839882 354202100 /nfs/dbraw/zinc/20/21/00/354202100.db2.gz DEJSSVWREVSJGK-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@H]1CN(C(=O)COC2C[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000423864332 354203353 /nfs/dbraw/zinc/20/33/53/354203353.db2.gz BQWGWWFPXJHIJV-JSGCOSHPSA-N 2 1 297.399 -0.456 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)C[NH3+])C[C@H]1C ZINC000423900953 354203803 /nfs/dbraw/zinc/20/38/03/354203803.db2.gz SKJFPDQBAYDEAG-GHMZBOCLSA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)C[NH3+])C[C@H]1C ZINC000423900953 354203805 /nfs/dbraw/zinc/20/38/05/354203805.db2.gz SKJFPDQBAYDEAG-GHMZBOCLSA-N 2 1 271.361 -0.323 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCC[NH3+])C[C@@H]1C ZINC000423905276 354205460 /nfs/dbraw/zinc/20/54/60/354205460.db2.gz YYPQKEBKPRVNBG-NSHDSACASA-N 2 1 271.361 -0.179 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)CCC[NH3+])C[C@@H]1C ZINC000423905276 354205462 /nfs/dbraw/zinc/20/54/62/354205462.db2.gz YYPQKEBKPRVNBG-NSHDSACASA-N 2 1 271.361 -0.179 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424143434 354211659 /nfs/dbraw/zinc/21/16/59/354211659.db2.gz JQWOGWNVCSWAQR-RYUDHWBXSA-N 2 1 292.387 -0.021 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424143434 354211662 /nfs/dbraw/zinc/21/16/62/354211662.db2.gz JQWOGWNVCSWAQR-RYUDHWBXSA-N 2 1 292.387 -0.021 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])CN1CC[NH+](C)CC1 ZINC000424159127 354212033 /nfs/dbraw/zinc/21/20/33/354212033.db2.gz UVNIRQYWFNBHLU-UTUOFQBUSA-N 2 1 254.378 -0.667 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424143433 354212177 /nfs/dbraw/zinc/21/21/77/354212177.db2.gz JQWOGWNVCSWAQR-NWDGAFQWSA-N 2 1 292.387 -0.021 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424143433 354212179 /nfs/dbraw/zinc/21/21/79/354212179.db2.gz JQWOGWNVCSWAQR-NWDGAFQWSA-N 2 1 292.387 -0.021 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424169025 354213165 /nfs/dbraw/zinc/21/31/65/354213165.db2.gz GPWPECCJSLHPBM-MCIONIFRSA-N 2 1 280.416 -0.038 20 0 CBADMP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000424173176 354214006 /nfs/dbraw/zinc/21/40/06/354214006.db2.gz NTSKOIVXRQQBAK-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP [NH3+]CC[C@H](NC(=O)[C@@H]1COCC[NH2+]1)C(F)(F)F ZINC000424172854 354214238 /nfs/dbraw/zinc/21/42/38/354214238.db2.gz DOZBGFAFGZNMCK-BQBZGAKWSA-N 2 1 255.240 -0.629 20 0 CBADMP [NH3+]CC[C@H](NC(=O)[C@H]1COCC[NH2+]1)C(F)(F)F ZINC000424172860 354214367 /nfs/dbraw/zinc/21/43/67/354214367.db2.gz DOZBGFAFGZNMCK-RQJHMYQMSA-N 2 1 255.240 -0.629 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000427854453 354245434 /nfs/dbraw/zinc/24/54/34/354245434.db2.gz AVXBAKIMWCOKGH-UWVGGRQHSA-N 2 1 254.334 -0.532 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000430618836 354250484 /nfs/dbraw/zinc/25/04/84/354250484.db2.gz XIPVAAKUSIATQU-TZMCWYRMSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000430618836 354250486 /nfs/dbraw/zinc/25/04/86/354250486.db2.gz XIPVAAKUSIATQU-TZMCWYRMSA-N 2 1 296.415 -0.264 20 0 CBADMP O=C(C[NH2+]C[C@@H]1CCCO1)NCC[NH+]1CCSCC1 ZINC000430694390 354250708 /nfs/dbraw/zinc/25/07/08/354250708.db2.gz KGPUJLKHSGGSQY-LBPRGKRZSA-N 2 1 287.429 -0.080 20 0 CBADMP CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430901466 354250770 /nfs/dbraw/zinc/25/07/70/354250770.db2.gz USKLPKBIUDVLIY-RYUDHWBXSA-N 2 1 253.346 -0.330 20 0 CBADMP CN(CC[N@@H+](C)CCC(=O)NC(N)=O)C1CC[NH+](C)CC1 ZINC000431001808 354251521 /nfs/dbraw/zinc/25/15/21/354251521.db2.gz LEEMSEVOOGPDBR-UHFFFAOYSA-N 2 1 299.419 -0.471 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000431013214 354251623 /nfs/dbraw/zinc/25/16/23/354251623.db2.gz HWKVZCCIMGWZOO-OLZOCXBDSA-N 2 1 270.421 -0.158 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)C[NH+]1CCOCC1 ZINC000431048018 354251734 /nfs/dbraw/zinc/25/17/34/354251734.db2.gz YZWUHBMTVGTYBI-OLZOCXBDSA-N 2 1 285.388 -0.551 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433395900 354253189 /nfs/dbraw/zinc/25/31/89/354253189.db2.gz ULTQGOWYEIGGLN-NEPJUHHUSA-N 2 1 292.387 -0.021 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433395900 354253191 /nfs/dbraw/zinc/25/31/91/354253191.db2.gz ULTQGOWYEIGGLN-NEPJUHHUSA-N 2 1 292.387 -0.021 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)CN1CC[NH+](C)CC1 ZINC000444264049 354266618 /nfs/dbraw/zinc/26/66/18/354266618.db2.gz BSIZCCMCCBBMGJ-FMKPAKJESA-N 2 1 294.443 -0.014 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000444165308 354262008 /nfs/dbraw/zinc/26/20/08/354262008.db2.gz GMDWGOFNCGRLMS-GRYCIOLGSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000444165308 354262010 /nfs/dbraw/zinc/26/20/10/354262010.db2.gz GMDWGOFNCGRLMS-GRYCIOLGSA-N 2 1 255.362 -0.348 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444174535 354263104 /nfs/dbraw/zinc/26/31/04/354263104.db2.gz HDDRIJNSMANZCX-XUJVJEKNSA-N 2 1 294.399 -0.558 20 0 CBADMP Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(=O)n(C)c1=O ZINC000424374633 354222300 /nfs/dbraw/zinc/22/23/00/354222300.db2.gz IMCSETGUXOKWAZ-GHMZBOCLSA-N 2 1 266.345 -0.557 20 0 CBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000446290812 354286645 /nfs/dbraw/zinc/28/66/45/354286645.db2.gz CBGTZIZJTKYZAC-AVGNSLFASA-N 2 1 299.415 -0.021 20 0 CBADMP COC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCOCC1 ZINC000446820194 354291283 /nfs/dbraw/zinc/29/12/83/354291283.db2.gz ZNUWJPHTSYZVDT-OLZOCXBDSA-N 2 1 260.378 -0.060 20 0 CBADMP C[C@@H]1CN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@H](C)[N@@H+]1C ZINC000448554651 354315507 /nfs/dbraw/zinc/31/55/07/354315507.db2.gz IJMBFQFRUZJFCJ-XQQFMLRXSA-N 2 1 296.415 -0.300 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C2([NH3+])CCC2)C[C@H]1C ZINC000449349557 354319682 /nfs/dbraw/zinc/31/96/82/354319682.db2.gz QUDUABGPTUHNCF-GHMZBOCLSA-N 2 1 255.362 -0.219 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C2([NH3+])CCC2)C[C@H]1C ZINC000449349557 354319686 /nfs/dbraw/zinc/31/96/86/354319686.db2.gz QUDUABGPTUHNCF-GHMZBOCLSA-N 2 1 255.362 -0.219 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000449574773 354320416 /nfs/dbraw/zinc/32/04/16/354320416.db2.gz YQIGWUBDWIIVJH-DGCLKSJQSA-N 2 1 273.352 -0.085 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449694599 354321979 /nfs/dbraw/zinc/32/19/79/354321979.db2.gz HESYVUWBMHMJAG-QWHCGFSZSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@@H]1[C@H](O)CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000451467541 354336797 /nfs/dbraw/zinc/33/67/97/354336797.db2.gz ZRNLNNZOYFXTKY-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1[C@H](O)CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000451467541 354336799 /nfs/dbraw/zinc/33/67/99/354336799.db2.gz ZRNLNNZOYFXTKY-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000452389771 354350452 /nfs/dbraw/zinc/35/04/52/354350452.db2.gz MPQFXAWMNPJLEJ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000452389771 354350456 /nfs/dbraw/zinc/35/04/56/354350456.db2.gz MPQFXAWMNPJLEJ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000452389771 354350457 /nfs/dbraw/zinc/35/04/57/354350457.db2.gz MPQFXAWMNPJLEJ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000452389771 354350459 /nfs/dbraw/zinc/35/04/59/354350459.db2.gz MPQFXAWMNPJLEJ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471657399 354402670 /nfs/dbraw/zinc/40/26/70/354402670.db2.gz HFSBWKFFHAPOOT-UHFFFAOYSA-N 2 1 272.393 -0.088 20 0 CBADMP CC[N@@H+](C)CCNC(=O)NCCOCC[NH+](C)C ZINC000471664468 354403490 /nfs/dbraw/zinc/40/34/90/354403490.db2.gz VLTUFIHBILVWJE-UHFFFAOYSA-N 2 1 260.382 -0.185 20 0 CBADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479303361 354407495 /nfs/dbraw/zinc/40/74/95/354407495.db2.gz WSZYDKIQQXMSQB-CYZMBNFOSA-N 2 1 267.373 -0.158 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000492753638 354480027 /nfs/dbraw/zinc/48/00/27/354480027.db2.gz RUPYMGISKOSDES-ITKZLYELSA-N 2 1 255.362 -0.371 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000516572520 354557070 /nfs/dbraw/zinc/55/70/70/354557070.db2.gz KIQHMVMVXDZPGB-DCAQKATOSA-N 2 1 271.361 -0.182 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000519399617 354561018 /nfs/dbraw/zinc/56/10/18/354561018.db2.gz XMYCRWQUMWYVQZ-RFQIPJPRSA-N 2 1 279.384 -0.036 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000520430938 354567703 /nfs/dbraw/zinc/56/77/03/354567703.db2.gz RWKFUSXVORHDAS-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000546570972 354652702 /nfs/dbraw/zinc/65/27/02/354652702.db2.gz DZNSFEMRSYKVBD-OAHLLOKOSA-N 2 1 292.383 -0.055 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000546570972 354652705 /nfs/dbraw/zinc/65/27/05/354652705.db2.gz DZNSFEMRSYKVBD-OAHLLOKOSA-N 2 1 292.383 -0.055 20 0 CBADMP C[NH+](C)CCOCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000538646776 354613990 /nfs/dbraw/zinc/61/39/90/354613990.db2.gz QRGGKTZIMACIAJ-NSHDSACASA-N 2 1 259.350 -0.989 20 0 CBADMP C[NH+](C)CCOCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000538646776 354613991 /nfs/dbraw/zinc/61/39/91/354613991.db2.gz QRGGKTZIMACIAJ-NSHDSACASA-N 2 1 259.350 -0.989 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)C(=O)NCC[NH+](C)C ZINC000556901337 354683734 /nfs/dbraw/zinc/68/37/34/354683734.db2.gz MMNRTAUUZIGFHU-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000562812666 354688370 /nfs/dbraw/zinc/68/83/70/354688370.db2.gz NECOKDWYHWMLKE-CYBMUJFWSA-N 2 1 283.420 -0.373 20 0 CBADMP CN(C(=O)NC[C@@H]1C[NH2+]CCN1C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000562821207 354688999 /nfs/dbraw/zinc/68/89/99/354688999.db2.gz ZYBBVMFDHMICPM-KGLIPLIRSA-N 2 1 295.431 -0.232 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C)CN1CC[NH+](C)CC1 ZINC000563077520 354694467 /nfs/dbraw/zinc/69/44/67/354694467.db2.gz IFCOPMKZNINIDW-MGPQQGTHSA-N 2 1 282.432 -0.016 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000563109489 354697715 /nfs/dbraw/zinc/69/77/15/354697715.db2.gz HFYJELYTIGBBSQ-KBPBESRZSA-N 2 1 290.367 -0.067 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563154626 354699699 /nfs/dbraw/zinc/69/96/99/354699699.db2.gz RKBOZVRUBVOKSS-NEPJUHHUSA-N 2 1 280.372 -0.140 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563154196 354699956 /nfs/dbraw/zinc/69/99/56/354699956.db2.gz SBPRZZKTWPBJQX-JTQLQIEISA-N 2 1 284.360 -0.871 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563154196 354699959 /nfs/dbraw/zinc/69/99/59/354699959.db2.gz SBPRZZKTWPBJQX-JTQLQIEISA-N 2 1 284.360 -0.871 20 0 CBADMP CCC(=O)N1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000563155304 354700140 /nfs/dbraw/zinc/70/01/40/354700140.db2.gz MOCGLLFXDOTUJJ-UHFFFAOYSA-N 2 1 296.415 -0.247 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000563203353 354702563 /nfs/dbraw/zinc/70/25/63/354702563.db2.gz WTUDYZNXGRUPQT-OLZOCXBDSA-N 2 1 296.415 -0.025 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000563888685 354707303 /nfs/dbraw/zinc/70/73/03/354707303.db2.gz RLKNHYNVBDUCDZ-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000563888685 354707305 /nfs/dbraw/zinc/70/73/05/354707305.db2.gz RLKNHYNVBDUCDZ-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000564456793 354712841 /nfs/dbraw/zinc/71/28/41/354712841.db2.gz ORYCOFVIUXDVGQ-RYUDHWBXSA-N 2 1 282.388 -0.687 20 0 CBADMP CC[NH+]1CCN(C(=O)CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC000564612905 354715125 /nfs/dbraw/zinc/71/51/25/354715125.db2.gz DZWNLKOIOULSSK-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+]1CCN(C(=O)CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000564612905 354715128 /nfs/dbraw/zinc/71/51/28/354715128.db2.gz DZWNLKOIOULSSK-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000564798909 354717388 /nfs/dbraw/zinc/71/73/88/354717388.db2.gz AANAKAMOGZWTLE-ZJUUUORDSA-N 2 1 270.377 -0.561 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC3CCOCC3)CCN2C1=O ZINC000565233711 354733655 /nfs/dbraw/zinc/73/36/55/354733655.db2.gz OXGCEKOEVFXQSS-VXGBXAGGSA-N 2 1 253.346 -0.343 20 0 CBADMP O=C(COC1C[NH2+]C1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000564954586 354722986 /nfs/dbraw/zinc/72/29/86/354722986.db2.gz LKSSZWQKLMJVPP-UHFFFAOYSA-N 2 1 296.415 -0.693 20 0 CBADMP CN1CCN(C(=O)CC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000564986662 354723566 /nfs/dbraw/zinc/72/35/66/354723566.db2.gz BTSOWMQTJRNGAE-UONOGXRCSA-N 3 1 280.416 -0.308 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000564986662 354723569 /nfs/dbraw/zinc/72/35/69/354723569.db2.gz BTSOWMQTJRNGAE-UONOGXRCSA-N 2 1 280.416 -0.308 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000564989226 354724365 /nfs/dbraw/zinc/72/43/65/354724365.db2.gz BYUNEPVPAYDTAU-STQMWFEESA-N 3 1 268.405 -0.133 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000564989226 354724369 /nfs/dbraw/zinc/72/43/69/354724369.db2.gz BYUNEPVPAYDTAU-STQMWFEESA-N 2 1 268.405 -0.133 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000564989226 354724373 /nfs/dbraw/zinc/72/43/73/354724373.db2.gz BYUNEPVPAYDTAU-STQMWFEESA-N 2 1 268.405 -0.133 20 0 CBADMP COCC1=CC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000547806538 354668740 /nfs/dbraw/zinc/66/87/40/354668740.db2.gz KZJFKQATWFZNJI-CYBMUJFWSA-N 2 1 295.383 -0.046 20 0 CBADMP COCC1=CC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000547806538 354668741 /nfs/dbraw/zinc/66/87/41/354668741.db2.gz KZJFKQATWFZNJI-CYBMUJFWSA-N 2 1 295.383 -0.046 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H](CO)[C@@H]1CCOC1)C1CC1 ZINC000565833477 354746770 /nfs/dbraw/zinc/74/67/70/354746770.db2.gz FRYNCFLUJQKTSJ-YRGRVCCFSA-N 2 1 272.389 -0.324 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](CO)[C@@H]1CCOC1)C1CC1 ZINC000565833477 354746774 /nfs/dbraw/zinc/74/67/74/354746774.db2.gz FRYNCFLUJQKTSJ-YRGRVCCFSA-N 2 1 272.389 -0.324 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000566017417 354750738 /nfs/dbraw/zinc/75/07/38/354750738.db2.gz VJXLIFQUXFBIFZ-NEPJUHHUSA-N 3 1 254.378 -0.380 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)N1CCNCC1 ZINC000566017417 354750741 /nfs/dbraw/zinc/75/07/41/354750741.db2.gz VJXLIFQUXFBIFZ-NEPJUHHUSA-N 2 1 254.378 -0.380 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)N1CCNCC1 ZINC000566017417 354750743 /nfs/dbraw/zinc/75/07/43/354750743.db2.gz VJXLIFQUXFBIFZ-NEPJUHHUSA-N 2 1 254.378 -0.380 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000566163579 354754465 /nfs/dbraw/zinc/75/44/65/354754465.db2.gz YUKBPSHCFKEDBG-WPRPVWTQSA-N 2 1 255.318 -0.770 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000566163579 354754466 /nfs/dbraw/zinc/75/44/66/354754466.db2.gz YUKBPSHCFKEDBG-WPRPVWTQSA-N 2 1 255.318 -0.770 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000566171322 354755514 /nfs/dbraw/zinc/75/55/14/354755514.db2.gz LKVVEXWEGANGKQ-NEPJUHHUSA-N 2 1 292.387 -0.288 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000566192612 354755959 /nfs/dbraw/zinc/75/59/59/354755959.db2.gz OXHOWYHZCBPTQV-SRVKXCTJSA-N 2 1 299.419 -0.249 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000566192610 354756111 /nfs/dbraw/zinc/75/61/11/354756111.db2.gz OXHOWYHZCBPTQV-QJPTWQEYSA-N 2 1 299.419 -0.249 20 0 CBADMP CNC(=O)[C@]1(C)CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000566417921 354765129 /nfs/dbraw/zinc/76/51/29/354765129.db2.gz WAQYRWZGABHTLF-TZMCWYRMSA-N 2 1 287.404 -0.617 20 0 CBADMP CNC(=O)[C@]1(C)CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000566417921 354765130 /nfs/dbraw/zinc/76/51/30/354765130.db2.gz WAQYRWZGABHTLF-TZMCWYRMSA-N 2 1 287.404 -0.617 20 0 CBADMP CNC(=O)[C@]1(C)CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000566417921 354765131 /nfs/dbraw/zinc/76/51/31/354765131.db2.gz WAQYRWZGABHTLF-TZMCWYRMSA-N 2 1 287.404 -0.617 20 0 CBADMP CNC(=O)[C@]1(C)CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000566417921 354765132 /nfs/dbraw/zinc/76/51/32/354765132.db2.gz WAQYRWZGABHTLF-TZMCWYRMSA-N 2 1 287.404 -0.617 20 0 CBADMP O[C@]1(C(F)(F)F)CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000566856306 354776446 /nfs/dbraw/zinc/77/64/46/354776446.db2.gz WCKJNNDGWVLTPC-SNVBAGLBSA-N 2 1 267.295 -0.109 20 0 CBADMP C[C@@H](C(=O)N(C)C1(C[NH3+])CCC1)N1CC[NH+](C)CC1 ZINC000566974589 354779042 /nfs/dbraw/zinc/77/90/42/354779042.db2.gz BCMAWWOKUSHIIS-LBPRGKRZSA-N 2 1 268.405 -0.038 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000567119437 354781490 /nfs/dbraw/zinc/78/14/90/354781490.db2.gz NXVMJZNTMXKVRA-UHFFFAOYSA-N 2 1 289.290 -0.863 20 0 CBADMP C[N@@H+](CCCO)C1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000567488034 354788782 /nfs/dbraw/zinc/78/87/82/354788782.db2.gz CXFDNZKJAWKDQB-LBPRGKRZSA-N 2 1 284.404 -0.164 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000565240437 354734698 /nfs/dbraw/zinc/73/46/98/354734698.db2.gz WSNCHCDRXWKFML-IJLUTSLNSA-N 3 1 252.362 -0.770 20 0 CBADMP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000565312056 354736021 /nfs/dbraw/zinc/73/60/21/354736021.db2.gz NWAKEROLHBFKBL-MELADBBJSA-N 2 1 290.404 -0.291 20 0 CBADMP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)CCOC ZINC000565312056 354736023 /nfs/dbraw/zinc/73/60/23/354736023.db2.gz NWAKEROLHBFKBL-MELADBBJSA-N 2 1 290.404 -0.291 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000565588829 354741383 /nfs/dbraw/zinc/74/13/83/354741383.db2.gz UEZSOEFYDAWHNW-GFCCVEGCSA-N 2 1 296.415 -0.441 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000567843255 354800817 /nfs/dbraw/zinc/80/08/17/354800817.db2.gz SAQHOHBIWDRESQ-RYUDHWBXSA-N 2 1 271.361 -0.717 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000567843255 354800818 /nfs/dbraw/zinc/80/08/18/354800818.db2.gz SAQHOHBIWDRESQ-RYUDHWBXSA-N 2 1 271.361 -0.717 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000567871635 354801659 /nfs/dbraw/zinc/80/16/59/354801659.db2.gz ZXMJRNRWZKGQDC-HIFRSBDPSA-N 3 1 280.416 -0.131 20 0 CBADMP C[N@@H+](C[C@H](O)CNC[C@H]1CCCC[NH+]1CCO)C1CC1 ZINC000567872827 354801671 /nfs/dbraw/zinc/80/16/71/354801671.db2.gz IBHAWZXRWAWCNR-HUUCEWRRSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000567872827 354801672 /nfs/dbraw/zinc/80/16/72/354801672.db2.gz IBHAWZXRWAWCNR-HUUCEWRRSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000567872827 354801675 /nfs/dbraw/zinc/80/16/75/354801675.db2.gz IBHAWZXRWAWCNR-HUUCEWRRSA-N 2 1 285.432 -0.122 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000567871634 354801701 /nfs/dbraw/zinc/80/17/01/354801701.db2.gz ZXMJRNRWZKGQDC-DZGCQCFKSA-N 3 1 280.416 -0.131 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC[C@H]3CCCO3)CCN2C1=O ZINC000568782808 354833146 /nfs/dbraw/zinc/83/31/46/354833146.db2.gz FFUMFAWWNLWTIM-QJPTWQEYSA-N 2 1 253.346 -0.201 20 0 CBADMP C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000567893789 354803608 /nfs/dbraw/zinc/80/36/08/354803608.db2.gz ZMNWASXCDITKOV-CQSZACIVSA-N 3 1 252.406 -0.033 20 0 CBADMP C(CN1CCC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000567893789 354803611 /nfs/dbraw/zinc/80/36/11/354803611.db2.gz ZMNWASXCDITKOV-CQSZACIVSA-N 2 1 252.406 -0.033 20 0 CBADMP [NH3+]C[C@@H]1CN(C(=O)CC(F)(F)C[NH3+])CCCO1 ZINC000567909307 354804045 /nfs/dbraw/zinc/80/40/45/354804045.db2.gz PYVYNIRDFJCSJO-MRVPVSSYSA-N 2 1 251.277 -0.453 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000568777411 354833247 /nfs/dbraw/zinc/83/32/47/354833247.db2.gz OSJKBRHWKKKPBU-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000568777411 354833249 /nfs/dbraw/zinc/83/32/49/354833249.db2.gz OSJKBRHWKKKPBU-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000568777411 354833250 /nfs/dbraw/zinc/83/32/50/354833250.db2.gz OSJKBRHWKKKPBU-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000568777411 354833251 /nfs/dbraw/zinc/83/32/51/354833251.db2.gz OSJKBRHWKKKPBU-OCCSQVGLSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000567982900 354807251 /nfs/dbraw/zinc/80/72/51/354807251.db2.gz YQCHOUYKZKBIIW-NSHDSACASA-N 2 1 280.376 -0.302 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000567982899 354807367 /nfs/dbraw/zinc/80/73/67/354807367.db2.gz YQCHOUYKZKBIIW-LLVKDONJSA-N 2 1 280.376 -0.302 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)C1 ZINC000568211613 354815683 /nfs/dbraw/zinc/81/56/83/354815683.db2.gz CXDSVAHDNKYVDP-RISCZKNCSA-N 2 1 267.373 -0.489 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000568877257 354833804 /nfs/dbraw/zinc/83/38/04/354833804.db2.gz VNCZGIIQBPLNMQ-UONOGXRCSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@@]1(C(=O)NCC[N@@H+]2CCCOCC2)CCC[NH2+]1 ZINC000568271065 354820376 /nfs/dbraw/zinc/82/03/76/354820376.db2.gz VFVLNFPIPDPBCJ-ZDUSSCGKSA-N 2 1 255.362 -0.033 20 0 CBADMP C[C@@]1(C(=O)NCC[N@H+]2CCCOCC2)CCC[NH2+]1 ZINC000568271065 354820380 /nfs/dbraw/zinc/82/03/80/354820380.db2.gz VFVLNFPIPDPBCJ-ZDUSSCGKSA-N 2 1 255.362 -0.033 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000568287256 354820557 /nfs/dbraw/zinc/82/05/57/354820557.db2.gz YIGPNONIVJHWND-LBPRGKRZSA-N 2 1 280.376 -0.351 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000568287256 354820561 /nfs/dbraw/zinc/82/05/61/354820561.db2.gz YIGPNONIVJHWND-LBPRGKRZSA-N 2 1 280.376 -0.351 20 0 CBADMP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000568501381 354825282 /nfs/dbraw/zinc/82/52/82/354825282.db2.gz KZPZRSHFINYMBD-ZJUUUORDSA-N 2 1 254.334 -0.212 20 0 CBADMP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000568501381 354825288 /nfs/dbraw/zinc/82/52/88/354825288.db2.gz KZPZRSHFINYMBD-ZJUUUORDSA-N 2 1 254.334 -0.212 20 0 CBADMP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000568501378 354825358 /nfs/dbraw/zinc/82/53/58/354825358.db2.gz KZPZRSHFINYMBD-NXEZZACHSA-N 2 1 254.334 -0.212 20 0 CBADMP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000568501378 354825362 /nfs/dbraw/zinc/82/53/62/354825362.db2.gz KZPZRSHFINYMBD-NXEZZACHSA-N 2 1 254.334 -0.212 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CNC(=O)C[NH3+])C1 ZINC000568746269 354830749 /nfs/dbraw/zinc/83/07/49/354830749.db2.gz LPJXMTREMFAJMT-XQQFMLRXSA-N 2 1 296.415 -0.075 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)CCN2C1=O ZINC000568782806 354832744 /nfs/dbraw/zinc/83/27/44/354832744.db2.gz FFUMFAWWNLWTIM-GRYCIOLGSA-N 2 1 253.346 -0.201 20 0 CBADMP Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000567753749 354796283 /nfs/dbraw/zinc/79/62/83/354796283.db2.gz FPKWTZLCLJELRG-GHMZBOCLSA-N 2 1 276.340 -0.161 20 0 CBADMP Cc1ccc(O)c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000567753749 354796287 /nfs/dbraw/zinc/79/62/87/354796287.db2.gz FPKWTZLCLJELRG-GHMZBOCLSA-N 2 1 276.340 -0.161 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000570666013 354866976 /nfs/dbraw/zinc/86/69/76/354866976.db2.gz SKXKQVNUPRVBTN-RYUDHWBXSA-N 2 1 270.377 -0.242 20 0 CBADMP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000570817218 354870661 /nfs/dbraw/zinc/87/06/61/354870661.db2.gz IZQKMYLZUBNTPY-GFCCVEGCSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000571683546 354878178 /nfs/dbraw/zinc/87/81/78/354878178.db2.gz SUUSAPSZEUDOLB-MGPQQGTHSA-N 2 1 280.416 -0.167 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@H+]2CC[C@@H](C)C2)C1 ZINC000569224974 354840262 /nfs/dbraw/zinc/84/02/62/354840262.db2.gz IHLYWWIAPRRMHJ-GRYCIOLGSA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@H](CNC(=O)C1(C)C[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000569808327 354845935 /nfs/dbraw/zinc/84/59/35/354845935.db2.gz ZIIOSUDTLRVDGW-GFCCVEGCSA-N 2 1 268.405 -0.404 20 0 CBADMP CCO[C@@H]1COC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000569796461 354845992 /nfs/dbraw/zinc/84/59/92/354845992.db2.gz MTEPWXZXQCRXIX-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000569969936 354851608 /nfs/dbraw/zinc/85/16/08/354851608.db2.gz NZXMAEYTCUYBSG-DGCLKSJQSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH2+]CCC[N@@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000570093523 354853752 /nfs/dbraw/zinc/85/37/52/354853752.db2.gz UGGYKICBWCUCGH-SNVBAGLBSA-N 2 1 267.333 -0.079 20 0 CBADMP C[NH2+]CCC[N@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000570093523 354853754 /nfs/dbraw/zinc/85/37/54/354853754.db2.gz UGGYKICBWCUCGH-SNVBAGLBSA-N 2 1 267.333 -0.079 20 0 CBADMP C[NH2+]C[C@@](C)(O)CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000570100734 354854288 /nfs/dbraw/zinc/85/42/88/354854288.db2.gz UTYYZFASBFYYSZ-HZSPNIEDSA-N 2 1 271.405 -0.215 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000570098918 354854699 /nfs/dbraw/zinc/85/46/99/354854699.db2.gz ZBIJTJFQNUZKAC-ZDUSSCGKSA-N 2 1 284.404 -0.881 20 0 CBADMP Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000570437792 354862084 /nfs/dbraw/zinc/86/20/84/354862084.db2.gz CASAUAQIHQCGSW-YPMHNXCESA-N 2 1 279.388 -0.054 20 0 CBADMP Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)CC2 ZINC000570437792 354862086 /nfs/dbraw/zinc/86/20/86/354862086.db2.gz CASAUAQIHQCGSW-YPMHNXCESA-N 2 1 279.388 -0.054 20 0 CBADMP CC[N@H+]1CCN(C[C@@H](O)C[NH+](C)CCOC)[C@H](C)C1 ZINC000570580458 354864729 /nfs/dbraw/zinc/86/47/29/354864729.db2.gz XDUBJHRCGKKYAA-KGLIPLIRSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+]1CCN(C[C@@H](O)C[N@H+](C)CCOC)[C@H](C)C1 ZINC000570580458 354864731 /nfs/dbraw/zinc/86/47/31/354864731.db2.gz XDUBJHRCGKKYAA-KGLIPLIRSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)[C@H](C)C1 ZINC000570580458 354864732 /nfs/dbraw/zinc/86/47/32/354864732.db2.gz XDUBJHRCGKKYAA-KGLIPLIRSA-N 2 1 273.421 -0.049 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000572012514 354885268 /nfs/dbraw/zinc/88/52/68/354885268.db2.gz QGLGNLUXPKGJGE-UHFFFAOYSA-N 2 1 297.403 -0.247 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000572039540 354886009 /nfs/dbraw/zinc/88/60/09/354886009.db2.gz PTOXORSVWWJSLJ-SDDRHHMPSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@@H+](CCNC(=O)c1cn(CCC[NH3+])nn1)C1CC1 ZINC000572279786 354890720 /nfs/dbraw/zinc/89/07/20/354890720.db2.gz TYZHRDZPQHTMGY-UHFFFAOYSA-N 2 1 280.376 -0.159 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000572611983 354894442 /nfs/dbraw/zinc/89/44/42/354894442.db2.gz FCYHPNCCXWRRBQ-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000572611983 354894443 /nfs/dbraw/zinc/89/44/43/354894443.db2.gz FCYHPNCCXWRRBQ-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C[N@H+]1C1CC1 ZINC000572719346 354895666 /nfs/dbraw/zinc/89/56/66/354895666.db2.gz XFMFUGZKYVOQRB-MNOVXSKESA-N 2 1 292.387 -0.018 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000573091118 354904904 /nfs/dbraw/zinc/90/49/04/354904904.db2.gz VSVNLTJWHZVMDK-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000573124288 354905628 /nfs/dbraw/zinc/90/56/28/354905628.db2.gz YJGVZIMWZMDOAQ-HBNTYKKESA-N 2 1 269.345 -0.380 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000573124288 354905630 /nfs/dbraw/zinc/90/56/30/354905630.db2.gz YJGVZIMWZMDOAQ-HBNTYKKESA-N 2 1 269.345 -0.380 20 0 CBADMP Cc1n[nH]c(C)c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000573221006 354907712 /nfs/dbraw/zinc/90/77/12/354907712.db2.gz WVOZMNLFKSHQIP-JQWIXIFHSA-N 2 1 263.345 -0.230 20 0 CBADMP Cc1n[nH]c(C)c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000573221006 354907715 /nfs/dbraw/zinc/90/77/15/354907715.db2.gz WVOZMNLFKSHQIP-JQWIXIFHSA-N 2 1 263.345 -0.230 20 0 CBADMP COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000573337211 354910225 /nfs/dbraw/zinc/91/02/25/354910225.db2.gz JTSXSPQYAPVWKT-JQWIXIFHSA-N 2 1 294.355 -0.048 20 0 CBADMP COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000573337211 354910226 /nfs/dbraw/zinc/91/02/26/354910226.db2.gz JTSXSPQYAPVWKT-JQWIXIFHSA-N 2 1 294.355 -0.048 20 0 CBADMP COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000573337211 354910227 /nfs/dbraw/zinc/91/02/27/354910227.db2.gz JTSXSPQYAPVWKT-JQWIXIFHSA-N 2 1 294.355 -0.048 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000573362537 354911276 /nfs/dbraw/zinc/91/12/76/354911276.db2.gz HPDONYYMWOQKLP-LLVKDONJSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000571778522 354880155 /nfs/dbraw/zinc/88/01/55/354880155.db2.gz MKWXPCDPBYTUOH-PWSUYJOCSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000571778485 354880173 /nfs/dbraw/zinc/88/01/73/354880173.db2.gz LBJSBZXKNYVRHB-YPMHNXCESA-N 2 1 292.387 -0.207 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000571891129 354882873 /nfs/dbraw/zinc/88/28/73/354882873.db2.gz LRQXSXSLJMYRSM-BDAKNGLRSA-N 2 1 263.288 -0.440 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCc3cccnc3)CCN2C1=O ZINC000573863608 354924297 /nfs/dbraw/zinc/92/42/97/354924297.db2.gz UYHPDDFDKZSTCI-QWHCGFSZSA-N 2 1 260.341 -0.132 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCc3cccnc3)CCN2C1=O ZINC000573863608 354924301 /nfs/dbraw/zinc/92/43/01/354924301.db2.gz UYHPDDFDKZSTCI-QWHCGFSZSA-N 2 1 260.341 -0.132 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000575049021 354933263 /nfs/dbraw/zinc/93/32/63/354933263.db2.gz LWXMFXNINYCMJM-AXFHLTTASA-N 2 1 268.361 -0.820 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000575192817 354934198 /nfs/dbraw/zinc/93/41/98/354934198.db2.gz OJBMHHDTFSIYBX-JHJVBQTASA-N 2 1 287.404 -0.441 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000575192817 354934200 /nfs/dbraw/zinc/93/42/00/354934200.db2.gz OJBMHHDTFSIYBX-JHJVBQTASA-N 2 1 287.404 -0.441 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000578227294 354942108 /nfs/dbraw/zinc/94/21/08/354942108.db2.gz VNJKIRRQWZLIGA-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000578387899 354944835 /nfs/dbraw/zinc/94/48/35/354944835.db2.gz DCSLXGKKRFIXLU-UHFFFAOYSA-N 2 1 295.387 -0.282 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000578357100 354944948 /nfs/dbraw/zinc/94/49/48/354944948.db2.gz VHVYZOGZHRHMPP-BDAKNGLRSA-N 2 1 265.304 -0.194 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000578357100 354944950 /nfs/dbraw/zinc/94/49/50/354944950.db2.gz VHVYZOGZHRHMPP-BDAKNGLRSA-N 2 1 265.304 -0.194 20 0 CBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)COC2C[NH2+]C2)C1 ZINC000578627952 354950546 /nfs/dbraw/zinc/95/05/46/354950546.db2.gz SRYNVPNWEBBSND-YPMHNXCESA-N 2 1 267.373 -0.083 20 0 CBADMP CCOCC[NH+]1CCN(C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000578830303 354955761 /nfs/dbraw/zinc/95/57/61/354955761.db2.gz KXTMJUSMPXVQRW-CQSZACIVSA-N 2 1 273.421 -0.047 20 0 CBADMP C[C@@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)C(=O)N(C)C ZINC000578874902 354956464 /nfs/dbraw/zinc/95/64/64/354956464.db2.gz HVROSUHRKATBOP-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH2+][C@@H](C)C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000579141161 354964216 /nfs/dbraw/zinc/96/42/16/354964216.db2.gz FDZGPPTZOXEWSL-HIFPTAJRSA-N 2 1 268.405 -0.073 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000579354668 354968224 /nfs/dbraw/zinc/96/82/24/354968224.db2.gz BWNDBXSINWQOHV-TXEJJXNPSA-N 2 1 275.418 -0.143 20 0 CBADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000579488897 354972359 /nfs/dbraw/zinc/97/23/59/354972359.db2.gz AJMHJAYCSSIGAH-XQQFMLRXSA-N 2 1 287.404 -0.570 20 0 CBADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)CCOC ZINC000579488897 354972360 /nfs/dbraw/zinc/97/23/60/354972360.db2.gz AJMHJAYCSSIGAH-XQQFMLRXSA-N 2 1 287.404 -0.570 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000579838746 354980877 /nfs/dbraw/zinc/98/08/77/354980877.db2.gz VMFOQYRZBMFRSH-LBPRGKRZSA-N 2 1 282.388 -0.782 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000579942948 354983255 /nfs/dbraw/zinc/98/32/55/354983255.db2.gz XLNYSSGKZSFJSF-WDEREUQCSA-N 2 1 265.361 -0.252 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000579942947 354983384 /nfs/dbraw/zinc/98/33/84/354983384.db2.gz XLNYSSGKZSFJSF-QWRGUYRKSA-N 2 1 265.361 -0.252 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000580098023 354989057 /nfs/dbraw/zinc/98/90/57/354989057.db2.gz WTZBHCZQZJRXMY-FRRDWIJNSA-N 2 1 294.399 -0.593 20 0 CBADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000580413273 354996020 /nfs/dbraw/zinc/99/60/20/354996020.db2.gz AYWHJTRLRNQLEA-VXGBXAGGSA-N 2 1 270.377 -0.290 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000580841334 355000174 /nfs/dbraw/zinc/00/01/74/355000174.db2.gz MTJKNXBBDVVLKV-QWHCGFSZSA-N 2 1 259.394 -0.703 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000584514272 355030784 /nfs/dbraw/zinc/03/07/84/355030784.db2.gz VYMLWTPRXUJBNS-ZDUSSCGKSA-N 2 1 266.389 -0.415 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000584514272 355030786 /nfs/dbraw/zinc/03/07/86/355030786.db2.gz VYMLWTPRXUJBNS-ZDUSSCGKSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000584604359 355033787 /nfs/dbraw/zinc/03/37/87/355033787.db2.gz MNTJKILIBVOHCN-FRRDWIJNSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000584766093 355037328 /nfs/dbraw/zinc/03/73/28/355037328.db2.gz KDZIMXDRKMWMRM-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@H](C)CN1 ZINC000582062568 355006186 /nfs/dbraw/zinc/00/61/86/355006186.db2.gz OWSSRWMQDUEHGG-JHJVBQTASA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@H](C)CN1 ZINC000582062568 355006188 /nfs/dbraw/zinc/00/61/88/355006188.db2.gz OWSSRWMQDUEHGG-JHJVBQTASA-N 2 1 268.405 -0.134 20 0 CBADMP COCC[NH2+]CC(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000583933441 355025216 /nfs/dbraw/zinc/02/52/16/355025216.db2.gz WBQWSYNLBSJZPB-UHFFFAOYSA-N 2 1 295.387 -0.259 20 0 CBADMP CSC[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000591734986 355112256 /nfs/dbraw/zinc/11/22/56/355112256.db2.gz FYAOQXGFEHITEZ-VXGBXAGGSA-N 2 1 289.445 -0.113 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000592552624 355162854 /nfs/dbraw/zinc/16/28/54/355162854.db2.gz AMTIKAMPKUBRHT-SFYZADRCSA-N 2 1 279.287 -0.668 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000592047608 355128481 /nfs/dbraw/zinc/12/84/81/355128481.db2.gz ODTWNKSGMIAKMU-ZJUUUORDSA-N 2 1 257.334 -0.523 20 0 CBADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472285 355155635 /nfs/dbraw/zinc/15/56/35/355155635.db2.gz SRBJDKBFKNCGFN-GFCCVEGCSA-N 2 1 299.419 -0.554 20 0 CBADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472285 355155638 /nfs/dbraw/zinc/15/56/38/355155638.db2.gz SRBJDKBFKNCGFN-GFCCVEGCSA-N 2 1 299.419 -0.554 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593731551 355217363 /nfs/dbraw/zinc/21/73/63/355217363.db2.gz ZTQFUZVFIBEFAB-UTUOFQBUSA-N 2 1 298.387 -0.068 20 0 CBADMP Cc1cc(C)n(CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000594875034 355265681 /nfs/dbraw/zinc/26/56/81/355265681.db2.gz KRPRUXNPVAPMMZ-OLZOCXBDSA-N 2 1 277.372 -0.256 20 0 CBADMP Cc1cc(C)n(CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000594875034 355265683 /nfs/dbraw/zinc/26/56/83/355265683.db2.gz KRPRUXNPVAPMMZ-OLZOCXBDSA-N 2 1 277.372 -0.256 20 0 CBADMP CC(C)COCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594876214 355267255 /nfs/dbraw/zinc/26/72/55/355267255.db2.gz JRNJPYCMJSNFBH-NWDGAFQWSA-N 2 1 255.362 -0.097 20 0 CBADMP CC(C)COCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594876214 355267259 /nfs/dbraw/zinc/26/72/59/355267259.db2.gz JRNJPYCMJSNFBH-NWDGAFQWSA-N 2 1 255.362 -0.097 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000594918919 355268946 /nfs/dbraw/zinc/26/89/46/355268946.db2.gz CEOFLAWTDMNJJA-JHJVBQTASA-N 2 1 297.399 -0.062 20 0 CBADMP COC(=O)CCN1CCC[C@H]([NH+]2CCC([NH3+])CC2)C1=O ZINC000595894172 355315737 /nfs/dbraw/zinc/31/57/37/355315737.db2.gz SDXJXGRIWKQSMO-LBPRGKRZSA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+](C)CC(C)(C)[NH3+] ZINC000595899730 355315894 /nfs/dbraw/zinc/31/58/94/355315894.db2.gz UBTDGRICYKZOAT-UHFFFAOYSA-N 2 1 259.350 -0.323 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000595899730 355315895 /nfs/dbraw/zinc/31/58/95/355315895.db2.gz UBTDGRICYKZOAT-UHFFFAOYSA-N 2 1 259.350 -0.323 20 0 CBADMP COC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595907022 355317798 /nfs/dbraw/zinc/31/77/98/355317798.db2.gz QSUZKDKMPRYPGW-OCCSQVGLSA-N 2 1 288.388 -0.047 20 0 CBADMP COC(=O)[C@@](C)(O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595907022 355317800 /nfs/dbraw/zinc/31/78/00/355317800.db2.gz QSUZKDKMPRYPGW-OCCSQVGLSA-N 2 1 288.388 -0.047 20 0 CBADMP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC(=O)OC)C1 ZINC000595943783 355323405 /nfs/dbraw/zinc/32/34/05/355323405.db2.gz JUKDDGXVUJVGDH-ZJUUUORDSA-N 2 1 257.334 -0.523 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC(=O)OC)C1 ZINC000595943783 355323407 /nfs/dbraw/zinc/32/34/07/355323407.db2.gz JUKDDGXVUJVGDH-ZJUUUORDSA-N 2 1 257.334 -0.523 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000595294262 355279561 /nfs/dbraw/zinc/27/95/61/355279561.db2.gz YHNUIZXMFHTVAY-GRYCIOLGSA-N 2 1 281.356 -0.698 20 0 CBADMP COC(=O)c1nccc(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000596426030 355355446 /nfs/dbraw/zinc/35/54/46/355355446.db2.gz ZRNFGKUMVCYJCY-UHFFFAOYSA-N 2 1 295.387 -0.020 20 0 CBADMP COC(=O)c1nccc(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000596426030 355355452 /nfs/dbraw/zinc/35/54/52/355355452.db2.gz ZRNFGKUMVCYJCY-UHFFFAOYSA-N 2 1 295.387 -0.020 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000601269986 355582531 /nfs/dbraw/zinc/58/25/31/355582531.db2.gz JERJPFGYESBDKR-CHWSQXEVSA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000601269986 355582534 /nfs/dbraw/zinc/58/25/34/355582534.db2.gz JERJPFGYESBDKR-CHWSQXEVSA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000601269986 355582536 /nfs/dbraw/zinc/58/25/36/355582536.db2.gz JERJPFGYESBDKR-CHWSQXEVSA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000601269993 355582922 /nfs/dbraw/zinc/58/29/22/355582922.db2.gz JERJPFGYESBDKR-QWHCGFSZSA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000601269993 355582925 /nfs/dbraw/zinc/58/29/25/355582925.db2.gz JERJPFGYESBDKR-QWHCGFSZSA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000601269993 355582928 /nfs/dbraw/zinc/58/29/28/355582928.db2.gz JERJPFGYESBDKR-QWHCGFSZSA-N 2 1 283.420 -0.374 20 0 CBADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326310 355586851 /nfs/dbraw/zinc/58/68/51/355586851.db2.gz LVCXXHREZZMICQ-NXEZZACHSA-N 2 1 256.350 -0.251 20 0 CBADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326310 355586856 /nfs/dbraw/zinc/58/68/56/355586856.db2.gz LVCXXHREZZMICQ-NXEZZACHSA-N 2 1 256.350 -0.251 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)NC(=O)NCC(C)C ZINC000600731842 355564106 /nfs/dbraw/zinc/56/41/06/355564106.db2.gz VPTQOHRUBQTLFW-UHFFFAOYSA-N 2 1 288.392 -0.364 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)NC(=O)NCC(C)C ZINC000600731842 355564110 /nfs/dbraw/zinc/56/41/10/355564110.db2.gz VPTQOHRUBQTLFW-UHFFFAOYSA-N 2 1 288.392 -0.364 20 0 CBADMP CCCNC(=O)NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000600732517 355564164 /nfs/dbraw/zinc/56/41/64/355564164.db2.gz CDCSXQBMVYRXQP-UHFFFAOYSA-N 2 1 260.338 -0.871 20 0 CBADMP CCCNC(=O)NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000600732517 355564166 /nfs/dbraw/zinc/56/41/66/355564166.db2.gz CDCSXQBMVYRXQP-UHFFFAOYSA-N 2 1 260.338 -0.871 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000602523708 355657554 /nfs/dbraw/zinc/65/75/54/355657554.db2.gz HMJKDVSWWDUIJT-WOPDTQHZSA-N 2 1 280.372 -0.759 20 0 CBADMP Cn1nccc1CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000601964742 355622140 /nfs/dbraw/zinc/62/21/40/355622140.db2.gz SAYSOEVJEGMKKR-RYUDHWBXSA-N 2 1 263.345 -0.794 20 0 CBADMP Cn1nccc1CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000601964742 355622141 /nfs/dbraw/zinc/62/21/41/355622141.db2.gz SAYSOEVJEGMKKR-RYUDHWBXSA-N 2 1 263.345 -0.794 20 0 CBADMP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000602020897 355625555 /nfs/dbraw/zinc/62/55/55/355625555.db2.gz OTRJIPGOXSOEFB-IUCAKERBSA-N 2 1 257.334 -0.606 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000602749893 355669823 /nfs/dbraw/zinc/66/98/23/355669823.db2.gz LMYLOLQELNHPGK-GHMZBOCLSA-N 2 1 269.345 -0.508 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000602749893 355669826 /nfs/dbraw/zinc/66/98/26/355669826.db2.gz LMYLOLQELNHPGK-GHMZBOCLSA-N 2 1 269.345 -0.508 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603431656 355715171 /nfs/dbraw/zinc/71/51/71/355715171.db2.gz FWPUXDQVVNNEFO-XHNCKOQMSA-N 2 1 256.350 -0.064 20 0 CBADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603434881 355715949 /nfs/dbraw/zinc/71/59/49/355715949.db2.gz UFYZNDPBLXZHMH-DTWKUNHWSA-N 2 1 256.350 -0.062 20 0 CBADMP C[N@H+](CCCS(N)(=O)=O)C[C@@H]1CCC[NH+](C)C1 ZINC000607358129 355747346 /nfs/dbraw/zinc/74/73/46/355747346.db2.gz AZKVFXMNGICZBT-LLVKDONJSA-N 2 1 263.407 -0.061 20 0 CBADMP C[N@@H+](CCCS(N)(=O)=O)C[C@@H]1CCC[NH+](C)C1 ZINC000607358129 355747349 /nfs/dbraw/zinc/74/73/49/355747349.db2.gz AZKVFXMNGICZBT-LLVKDONJSA-N 2 1 263.407 -0.061 20 0 CBADMP C[NH+](CCCS(N)(=O)=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358129 355747351 /nfs/dbraw/zinc/74/73/51/355747351.db2.gz AZKVFXMNGICZBT-LLVKDONJSA-N 2 1 263.407 -0.061 20 0 CBADMP C[NH+](CCCS(N)(=O)=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358129 355747353 /nfs/dbraw/zinc/74/73/53/355747353.db2.gz AZKVFXMNGICZBT-LLVKDONJSA-N 2 1 263.407 -0.061 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000612550939 355840527 /nfs/dbraw/zinc/84/05/27/355840527.db2.gz KENPVMRJSZBNOW-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000612550939 355840528 /nfs/dbraw/zinc/84/05/28/355840528.db2.gz KENPVMRJSZBNOW-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000612550939 355840529 /nfs/dbraw/zinc/84/05/29/355840529.db2.gz KENPVMRJSZBNOW-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612879551 355853914 /nfs/dbraw/zinc/85/39/14/355853914.db2.gz ZMFLIWZUDJJQTL-GXTWGEPZSA-N 2 1 283.420 -0.327 20 0 CBADMP C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC000612898668 355855658 /nfs/dbraw/zinc/85/56/58/355855658.db2.gz ZDMMQLZFZBUHTF-GMXVVIOVSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000612898668 355855660 /nfs/dbraw/zinc/85/56/60/355855660.db2.gz ZDMMQLZFZBUHTF-GMXVVIOVSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612989064 355859484 /nfs/dbraw/zinc/85/94/84/355859484.db2.gz HAXUNWXZAIOWOI-STQMWFEESA-N 2 1 296.415 -0.164 20 0 CBADMP C(=C/C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)\CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613996108 355926871 /nfs/dbraw/zinc/92/68/71/355926871.db2.gz PWEDYBAZADZXAJ-NTXWRNLQSA-N 3 1 276.428 -0.155 20 0 CBADMP C(=C/C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)\CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613996108 355926874 /nfs/dbraw/zinc/92/68/74/355926874.db2.gz PWEDYBAZADZXAJ-NTXWRNLQSA-N 3 1 276.428 -0.155 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC3(C[NH+](C)C3)C2)C1 ZINC000614039205 355928502 /nfs/dbraw/zinc/92/85/02/355928502.db2.gz QSTMSHNVRQUACO-GFCCVEGCSA-N 2 1 267.373 -0.129 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC3(C[NH+](C)C3)C2)C1 ZINC000614039205 355928503 /nfs/dbraw/zinc/92/85/03/355928503.db2.gz QSTMSHNVRQUACO-GFCCVEGCSA-N 2 1 267.373 -0.129 20 0 CBADMP C[NH+](C)C[C@@H](CO)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000614849272 355990459 /nfs/dbraw/zinc/99/04/59/355990459.db2.gz WKNGUEZEOHZZIW-NSHDSACASA-N 2 1 296.371 -0.077 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000614502686 355963874 /nfs/dbraw/zinc/96/38/74/355963874.db2.gz LMGDMRUCEFRKSF-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614502686 355963878 /nfs/dbraw/zinc/96/38/78/355963878.db2.gz LMGDMRUCEFRKSF-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614502686 355963880 /nfs/dbraw/zinc/96/38/80/355963880.db2.gz LMGDMRUCEFRKSF-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000614505407 355964353 /nfs/dbraw/zinc/96/43/53/355964353.db2.gz NNGXZUPNCPARJG-OLZOCXBDSA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000614505407 355964356 /nfs/dbraw/zinc/96/43/56/355964356.db2.gz NNGXZUPNCPARJG-OLZOCXBDSA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000614505407 355964358 /nfs/dbraw/zinc/96/43/58/355964358.db2.gz NNGXZUPNCPARJG-OLZOCXBDSA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000614514263 355967949 /nfs/dbraw/zinc/96/79/49/355967949.db2.gz KWLNETLBJYVREM-GFCCVEGCSA-N 2 1 266.389 -0.413 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CC(N)=O ZINC000617505889 356139085 /nfs/dbraw/zinc/13/90/85/356139085.db2.gz ULSCDMAHROZMIW-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CC(N)=O ZINC000617505889 356139087 /nfs/dbraw/zinc/13/90/87/356139087.db2.gz ULSCDMAHROZMIW-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CNC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506269 356139173 /nfs/dbraw/zinc/13/91/73/356139173.db2.gz HXUZSHAVXVXEHC-NSHDSACASA-N 2 1 287.408 -0.696 20 0 CBADMP CNC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506269 356139175 /nfs/dbraw/zinc/13/91/75/356139175.db2.gz HXUZSHAVXVXEHC-NSHDSACASA-N 2 1 287.408 -0.696 20 0 CBADMP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000619900856 356230732 /nfs/dbraw/zinc/23/07/32/356230732.db2.gz ZGDZPYGEZMCWBO-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000619900856 356230736 /nfs/dbraw/zinc/23/07/36/356230736.db2.gz ZGDZPYGEZMCWBO-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000619900856 356230739 /nfs/dbraw/zinc/23/07/39/356230739.db2.gz ZGDZPYGEZMCWBO-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000619900856 356230743 /nfs/dbraw/zinc/23/07/43/356230743.db2.gz ZGDZPYGEZMCWBO-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[N@@H+]1CC[C@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000619899801 356230883 /nfs/dbraw/zinc/23/08/83/356230883.db2.gz PMYYZGFKQJKNEJ-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000619899801 356230887 /nfs/dbraw/zinc/23/08/87/356230887.db2.gz PMYYZGFKQJKNEJ-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000620970559 356253237 /nfs/dbraw/zinc/25/32/37/356253237.db2.gz STMKPVHFNLZYIP-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000620970559 356253241 /nfs/dbraw/zinc/25/32/41/356253241.db2.gz STMKPVHFNLZYIP-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000620970560 356253536 /nfs/dbraw/zinc/25/35/36/356253536.db2.gz STMKPVHFNLZYIP-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000620970560 356253541 /nfs/dbraw/zinc/25/35/41/356253541.db2.gz STMKPVHFNLZYIP-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP C[C@@H](CNc1nc(N)[nH+]c(N)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000623859098 356379246 /nfs/dbraw/zinc/37/92/46/356379246.db2.gz AWIDDDXDAGICBR-BDAKNGLRSA-N 2 1 265.365 -0.349 20 0 CBADMP C[C@@H](CNc1nc(N)nc(N)[nH+]1)C[NH+]1CCCC1 ZINC000623875582 356380521 /nfs/dbraw/zinc/38/05/21/356380521.db2.gz OSLURQOCRKTHTF-QMMMGPOBSA-N 2 1 251.338 -0.738 20 0 CBADMP CC[N@H+]1CCC[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623908436 356381403 /nfs/dbraw/zinc/38/14/03/356381403.db2.gz BHXLNPBRHGVJJI-MRVPVSSYSA-N 2 1 251.338 -0.738 20 0 CBADMP CC[N@@H+]1CCC[C@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623908436 356381407 /nfs/dbraw/zinc/38/14/07/356381407.db2.gz BHXLNPBRHGVJJI-MRVPVSSYSA-N 2 1 251.338 -0.738 20 0 CBADMP CC[N@H+]1CCC[C@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623908436 356381410 /nfs/dbraw/zinc/38/14/10/356381410.db2.gz BHXLNPBRHGVJJI-MRVPVSSYSA-N 2 1 251.338 -0.738 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000623970245 356385849 /nfs/dbraw/zinc/38/58/49/356385849.db2.gz JETWXOWJIANXHO-VIFPVBQESA-N 2 1 265.365 -0.205 20 0 CBADMP Nc1nc(N)[nH+]c(NC2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000623981581 356386837 /nfs/dbraw/zinc/38/68/37/356386837.db2.gz KDMLUCVRZGGZRD-SECBINFHSA-N 2 1 293.375 -0.969 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624006083 356388456 /nfs/dbraw/zinc/38/84/56/356388456.db2.gz LKCCCCRGPKYEIZ-MRVPVSSYSA-N 2 1 251.338 -0.525 20 0 CBADMP CC[N@H+](C)C[C@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624006083 356388460 /nfs/dbraw/zinc/38/84/60/356388460.db2.gz LKCCCCRGPKYEIZ-MRVPVSSYSA-N 2 1 251.338 -0.525 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624006083 356388463 /nfs/dbraw/zinc/38/84/63/356388463.db2.gz LKCCCCRGPKYEIZ-MRVPVSSYSA-N 2 1 251.338 -0.525 20 0 CBADMP C[C@@H](CCNc1nc(N)nc(N)[nH+]1)[NH+]1CCCCC1 ZINC000624099550 356397018 /nfs/dbraw/zinc/39/70/18/356397018.db2.gz VENDWHXSUQTFPI-VIFPVBQESA-N 2 1 265.365 -0.205 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000624386033 356416069 /nfs/dbraw/zinc/41/60/69/356416069.db2.gz YHJZJKPPSBLFCA-SSDOTTSWSA-N 2 1 251.338 -0.597 20 0 CBADMP C[NH+](C)CCC[C@@H]1CN(c2nc(N)nc(N)[nH+]2)CCO1 ZINC000624410788 356420845 /nfs/dbraw/zinc/42/08/45/356420845.db2.gz HLYOQZYNBXCGPP-SECBINFHSA-N 2 1 281.364 -0.756 20 0 CBADMP C[NH+](C)CCC[C@H]1CN(c2nc(N)nc(N)[nH+]2)CCO1 ZINC000624410789 356420948 /nfs/dbraw/zinc/42/09/48/356420948.db2.gz HLYOQZYNBXCGPP-VIFPVBQESA-N 2 1 281.364 -0.756 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424171767 283160569 /nfs/dbraw/zinc/16/05/69/283160569.db2.gz JKYOEAKKCKRVSX-RWMBFGLXSA-N 2 1 267.373 -0.083 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)c2nc(N)[nH+]c(N)n2)C1 ZINC000624266408 356408504 /nfs/dbraw/zinc/40/85/04/356408504.db2.gz NARURLARCGKAMV-QMMMGPOBSA-N 2 1 251.338 -0.384 20 0 CBADMP [NH3+]C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)C(F)(F)F ZINC000625899603 356496354 /nfs/dbraw/zinc/49/63/54/356496354.db2.gz XTOOHRHBFOXAHG-HTQZYQBOSA-N 2 1 284.282 -0.758 20 0 CBADMP C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000328737975 202033508 /nfs/dbraw/zinc/03/35/08/202033508.db2.gz KNKZBZAPKFPUQJ-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000328737975 202033510 /nfs/dbraw/zinc/03/35/10/202033510.db2.gz KNKZBZAPKFPUQJ-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H]1OCC[C@H]1[N@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000328737977 202034654 /nfs/dbraw/zinc/03/46/54/202034654.db2.gz KNKZBZAPKFPUQJ-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H]1OCC[C@H]1[N@@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000328737977 202034657 /nfs/dbraw/zinc/03/46/57/202034657.db2.gz KNKZBZAPKFPUQJ-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)N[C@@H]1CC[NH2+]C1 ZINC000626917454 356556203 /nfs/dbraw/zinc/55/62/03/356556203.db2.gz DQAGQSCRSLQEIQ-LLVKDONJSA-N 2 1 256.350 -0.630 20 0 CBADMP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000626978644 356562459 /nfs/dbraw/zinc/56/24/59/356562459.db2.gz HNYZGNNDNGNVQZ-NSHDSACASA-N 2 1 270.377 -0.242 20 0 CBADMP CN(CCOCC[NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000626946427 356558715 /nfs/dbraw/zinc/55/87/15/356558715.db2.gz YJRBIICCUQTSAL-NSHDSACASA-N 2 1 258.366 -0.303 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626946096 356558720 /nfs/dbraw/zinc/55/87/20/356558720.db2.gz RNQGDJBOBQJXRL-LLVKDONJSA-N 2 1 270.377 -0.112 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626949572 356558942 /nfs/dbraw/zinc/55/89/42/356558942.db2.gz FLUMRIIMBANAAV-LLVKDONJSA-N 2 1 270.377 -0.112 20 0 CBADMP C[NH2+]CCOCCNC(=O)NCCn1cc[nH+]c1C ZINC000626960755 356559712 /nfs/dbraw/zinc/55/97/12/356559712.db2.gz XDFJZSFKIFVUEG-UHFFFAOYSA-N 2 1 269.349 -0.273 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626975526 356561693 /nfs/dbraw/zinc/56/16/93/356561693.db2.gz VYUIRUOMNXIYRL-NEPJUHHUSA-N 2 1 270.377 -0.242 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@H]1CCC[NH2+]C1 ZINC000627068285 356572493 /nfs/dbraw/zinc/57/24/93/356572493.db2.gz HDBXTTVLUGFZKR-RYUDHWBXSA-N 2 1 270.377 -0.648 20 0 CBADMP CCN(CC[NH3+])C(=O)NCC[N@@H+](C)CCCOC ZINC000626986894 356563580 /nfs/dbraw/zinc/56/35/80/356563580.db2.gz PURJPWRDFZBPDD-UHFFFAOYSA-N 2 1 260.382 -0.055 20 0 CBADMP O=C(NCC[NH2+]C1CC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627070278 356573465 /nfs/dbraw/zinc/57/34/65/356573465.db2.gz ZKIHTFAZMQNAOU-NSHDSACASA-N 2 1 256.350 -0.896 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000627163873 356591673 /nfs/dbraw/zinc/59/16/73/356591673.db2.gz WIPSKMAHZLNGND-LOWVWBTDSA-N 2 1 270.377 -0.507 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CCC[NH2+]C1 ZINC000627075867 356574712 /nfs/dbraw/zinc/57/47/12/356574712.db2.gz PHHBAIWFTXMBEA-GHMZBOCLSA-N 2 1 256.350 -0.896 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627076960 356574984 /nfs/dbraw/zinc/57/49/84/356574984.db2.gz NRASSESHDUUSNH-WDEREUQCSA-N 2 1 258.366 -0.665 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)NCC(F)(F)C[NH3+] ZINC000627084068 356578418 /nfs/dbraw/zinc/57/84/18/356578418.db2.gz CSAHNIPCUKPCHG-UHFFFAOYSA-N 2 1 268.308 -0.542 20 0 CBADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627086155 356578891 /nfs/dbraw/zinc/57/88/91/356578891.db2.gz IXTMLCSLJPGBHR-TUAOUCFPSA-N 2 1 270.377 -0.650 20 0 CBADMP CN1CCOC[C@@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000627084961 356579165 /nfs/dbraw/zinc/57/91/65/356579165.db2.gz QDQMSYSYYMGUEH-QMMMGPOBSA-N 2 1 266.292 -0.790 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H]1CCC[NH2+]CC1 ZINC000627086065 356579301 /nfs/dbraw/zinc/57/93/01/356579301.db2.gz GCLREBZAAVZKCX-NWDGAFQWSA-N 2 1 270.377 -0.506 20 0 CBADMP [NH3+][C@H]1CCC[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000627087422 356580010 /nfs/dbraw/zinc/58/00/10/356580010.db2.gz JMKHLAFQSNDUKZ-TUAOUCFPSA-N 2 1 270.377 -0.378 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000627087414 356580095 /nfs/dbraw/zinc/58/00/95/356580095.db2.gz JMKHLAFQSNDUKZ-IJLUTSLNSA-N 2 1 270.377 -0.378 20 0 CBADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627090730 356581685 /nfs/dbraw/zinc/58/16/85/356581685.db2.gz YNHGWCXNBGDKGN-SDDRHHMPSA-N 2 1 270.377 -0.650 20 0 CBADMP C[C@H](CCC[NH3+])NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627096630 356582094 /nfs/dbraw/zinc/58/20/94/356582094.db2.gz XPWMIVYSSOCIIG-GHMZBOCLSA-N 2 1 258.366 -0.520 20 0 CBADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000627103944 356583450 /nfs/dbraw/zinc/58/34/50/356583450.db2.gz XWZKPBWHVCBKOJ-UTUOFQBUSA-N 2 1 270.377 -0.520 20 0 CBADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627108061 356584691 /nfs/dbraw/zinc/58/46/91/356584691.db2.gz PVDZKIGAWHAZGF-OUAUKWLOSA-N 2 1 258.366 -0.522 20 0 CBADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627104909 356584872 /nfs/dbraw/zinc/58/48/72/356584872.db2.gz PVDZKIGAWHAZGF-VWYCJHECSA-N 2 1 258.366 -0.522 20 0 CBADMP O=C(NCCC1CC[NH2+]CC1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627110912 356585182 /nfs/dbraw/zinc/58/51/82/356585182.db2.gz MOQMTSSHWJPTGP-CYBMUJFWSA-N 2 1 284.404 -0.258 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000627248428 356612172 /nfs/dbraw/zinc/61/21/72/356612172.db2.gz GUFDGSSMRSPWOG-ZIAGYGMSSA-N 2 1 295.431 -0.230 20 0 CBADMP O=C(NCC[N@@H+]1CC=CCC1)NC[C@@H]1COCC[NH2+]1 ZINC000627188860 356600096 /nfs/dbraw/zinc/60/00/96/356600096.db2.gz CVAXMUUZYROUCR-GFCCVEGCSA-N 2 1 268.361 -0.464 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)N2CC[N@H+](CCO)C[C@H]2C)C[NH2+]1 ZINC000627207233 356604975 /nfs/dbraw/zinc/60/49/75/356604975.db2.gz PQNQNGITJFTBLO-UPJWGTAASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)N2CC[N@@H+](CCO)C[C@H]2C)C[NH2+]1 ZINC000627207233 356604977 /nfs/dbraw/zinc/60/49/77/356604977.db2.gz PQNQNGITJFTBLO-UPJWGTAASA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H]1CC[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C[NH2+]1 ZINC000627207730 356605373 /nfs/dbraw/zinc/60/53/73/356605373.db2.gz DELPIAAWEXTADZ-QJPTWQEYSA-N 2 1 270.377 -0.507 20 0 CBADMP [NH3+]CCCOCCNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000627217253 356607167 /nfs/dbraw/zinc/60/71/67/356607167.db2.gz KABHFRBGEWSXNR-UHFFFAOYSA-N 2 1 270.377 -0.087 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627349361 356630292 /nfs/dbraw/zinc/63/02/92/356630292.db2.gz LPJBSSFDQMDHFD-LYIQGSDWSA-N 2 1 294.399 -0.548 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000627349566 356630578 /nfs/dbraw/zinc/63/05/78/356630578.db2.gz RNMUARUDDYYJMU-MXWKQRLJSA-N 2 1 280.372 -0.794 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000627365404 356633599 /nfs/dbraw/zinc/63/35/99/356633599.db2.gz NWLPAHHAHBCSAB-NEPJUHHUSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000627379870 356635987 /nfs/dbraw/zinc/63/59/87/356635987.db2.gz AACUWSXYLJQPMC-WCFLWFBJSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000627378048 356634734 /nfs/dbraw/zinc/63/47/34/356634734.db2.gz ATUSVMAMFAVFIP-DMDPSCGWSA-N 2 1 294.399 -0.547 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC000627268947 356617157 /nfs/dbraw/zinc/61/71/57/356617157.db2.gz KPBCRBTWUQGQBV-NEPJUHHUSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)CC1 ZINC000627268947 356617161 /nfs/dbraw/zinc/61/71/61/356617161.db2.gz KPBCRBTWUQGQBV-NEPJUHHUSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+]3CC[C@@H](O)C3)C2)CC[N@H+]1C ZINC000627270193 356618522 /nfs/dbraw/zinc/61/85/22/356618522.db2.gz DNEXGOQTTSIAGU-AAVRWANBSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000627270193 356618525 /nfs/dbraw/zinc/61/85/25/356618525.db2.gz DNEXGOQTTSIAGU-AAVRWANBSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000627270193 356618529 /nfs/dbraw/zinc/61/85/29/356618529.db2.gz DNEXGOQTTSIAGU-AAVRWANBSA-N 2 1 281.400 -0.006 20 0 CBADMP CCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)N(C)C ZINC000429676456 283195871 /nfs/dbraw/zinc/19/58/71/283195871.db2.gz JYQPXCKTWCRCSA-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)N(C)C ZINC000429676456 283195875 /nfs/dbraw/zinc/19/58/75/283195875.db2.gz JYQPXCKTWCRCSA-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000627304625 356622565 /nfs/dbraw/zinc/62/25/65/356622565.db2.gz AKEPSIGKPVDQJJ-FVCCEPFGSA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627311939 356624356 /nfs/dbraw/zinc/62/43/56/356624356.db2.gz LGUSZYKCAFWJGZ-YNEHKIRRSA-N 2 1 296.415 -0.299 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627346532 356629786 /nfs/dbraw/zinc/62/97/86/356629786.db2.gz UTTUAXOKAUTLGS-CMPLNLGQSA-N 2 1 293.371 -0.436 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627423863 356644657 /nfs/dbraw/zinc/64/46/57/356644657.db2.gz YFJMBSMFQWHLDA-GFCCVEGCSA-N 2 1 284.404 -0.441 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627428413 356645701 /nfs/dbraw/zinc/64/57/01/356645701.db2.gz FBFYQHREDOBGPU-GHMZBOCLSA-N 2 1 268.361 -0.935 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627446638 356648579 /nfs/dbraw/zinc/64/85/79/356648579.db2.gz QWSIFDXLRNEKEP-NWDGAFQWSA-N 2 1 294.399 -0.402 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627392672 356638252 /nfs/dbraw/zinc/63/82/52/356638252.db2.gz BLAKRTNOVAUMBT-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000627398426 356638885 /nfs/dbraw/zinc/63/88/85/356638885.db2.gz MRSFTPDYVWVCDQ-UMSGYPCISA-N 2 1 294.399 -0.404 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414672125 291114485 /nfs/dbraw/zinc/11/44/85/291114485.db2.gz PASPQWFEJQCKHV-IJLUTSLNSA-N 2 1 283.372 -0.262 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414672125 291114487 /nfs/dbraw/zinc/11/44/87/291114487.db2.gz PASPQWFEJQCKHV-IJLUTSLNSA-N 2 1 283.372 -0.262 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000627505380 356660862 /nfs/dbraw/zinc/66/08/62/356660862.db2.gz LJUNWYRFDXEUEU-YNEHKIRRSA-N 2 1 294.399 -0.593 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506159 356660902 /nfs/dbraw/zinc/66/09/02/356660902.db2.gz BXDFIQMXMBUQNG-MNOVXSKESA-N 2 1 268.361 -0.935 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627505757 356661180 /nfs/dbraw/zinc/66/11/80/356661180.db2.gz FAGXPKQZIOXZJA-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP NC(=O)C[C@@H]1C[N@H+]([C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000629545439 356778657 /nfs/dbraw/zinc/77/86/57/356778657.db2.gz MIDTZDUSIWXCFA-UMSGYPCISA-N 2 1 267.373 -0.049 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000629169302 356751194 /nfs/dbraw/zinc/75/11/94/356751194.db2.gz RBHBGYFYQAUNMQ-GXTWGEPZSA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)CC2 ZINC000629169302 356751195 /nfs/dbraw/zinc/75/11/95/356751195.db2.gz RBHBGYFYQAUNMQ-GXTWGEPZSA-N 2 1 292.383 -0.063 20 0 CBADMP O=C(CCCC[NH+]1CCOCC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629170012 356751465 /nfs/dbraw/zinc/75/14/65/356751465.db2.gz QMERFCKIQIZNMD-CQSZACIVSA-N 2 1 299.415 -0.328 20 0 CBADMP O=C(CCCC[NH+]1CCOCC1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629170012 356751467 /nfs/dbraw/zinc/75/14/67/356751467.db2.gz QMERFCKIQIZNMD-CQSZACIVSA-N 2 1 299.415 -0.328 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000629171817 356752704 /nfs/dbraw/zinc/75/27/04/356752704.db2.gz JIGWNAFJOSITFA-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629171817 356752706 /nfs/dbraw/zinc/75/27/06/356752706.db2.gz JIGWNAFJOSITFA-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629171817 356752707 /nfs/dbraw/zinc/75/27/07/356752707.db2.gz JIGWNAFJOSITFA-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629173210 356752914 /nfs/dbraw/zinc/75/29/14/356752914.db2.gz PSDKTFBMOJGRJA-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP CC[NH+]1CCN(CCC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000629174465 356754028 /nfs/dbraw/zinc/75/40/28/356754028.db2.gz YEEUUPPDYHFLIO-CQSZACIVSA-N 2 1 298.431 -0.803 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000629174465 356754030 /nfs/dbraw/zinc/75/40/30/356754030.db2.gz YEEUUPPDYHFLIO-CQSZACIVSA-N 2 1 298.431 -0.803 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000629174465 356754031 /nfs/dbraw/zinc/75/40/31/356754031.db2.gz YEEUUPPDYHFLIO-CQSZACIVSA-N 2 1 298.431 -0.803 20 0 CBADMP CC1CC[NH+](CC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000629174652 356754046 /nfs/dbraw/zinc/75/40/46/356754046.db2.gz VLOIHVOZMSOWLT-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP NC(=O)[C@@H]1CC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)O1 ZINC000629567897 356780702 /nfs/dbraw/zinc/78/07/02/356780702.db2.gz GVJIHDUZDVJFFQ-TUAOUCFPSA-N 2 1 271.361 -0.934 20 0 CBADMP NC(=O)[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)O1 ZINC000629567898 356780937 /nfs/dbraw/zinc/78/09/37/356780937.db2.gz GVJIHDUZDVJFFQ-UTUOFQBUSA-N 2 1 271.361 -0.934 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCOC2CCOCC2)C1 ZINC000629510203 356774683 /nfs/dbraw/zinc/77/46/83/356774683.db2.gz AVBAIWVBMWZWQL-CYBMUJFWSA-N 2 1 299.415 -0.031 20 0 CBADMP NC(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)O1 ZINC000629567899 356781040 /nfs/dbraw/zinc/78/10/40/356781040.db2.gz GVJIHDUZDVJFFQ-WOPDTQHZSA-N 2 1 271.361 -0.934 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000629653787 356788715 /nfs/dbraw/zinc/78/87/15/356788715.db2.gz NRPHYCDRGUJGSO-CYBMUJFWSA-N 3 1 286.420 -0.649 20 0 CBADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](CC(N)=O)C2)CC[NH2+]1 ZINC000629666881 356788927 /nfs/dbraw/zinc/78/89/27/356788927.db2.gz RXIYXKPZASEQBW-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP COCCn1cc(C[N@@H+](C)CCOCC[NH3+])cn1 ZINC000629662224 356789021 /nfs/dbraw/zinc/78/90/21/356789021.db2.gz GLEVPQUJJLTINT-UHFFFAOYSA-N 2 1 256.350 -0.063 20 0 CBADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)C[NH2+]1 ZINC000629660335 356789256 /nfs/dbraw/zinc/78/92/56/356789256.db2.gz RWEATNOJVIGUJN-UPJWGTAASA-N 3 1 268.405 -0.086 20 0 CBADMP C[C@@H]1C[NH2+]CC[C@@H]1C[NH2+]Cc1nc(C[NH3+])cc(=O)[n-]1 ZINC000629654003 356789377 /nfs/dbraw/zinc/78/93/77/356789377.db2.gz SYDSERITRNAYTP-NXEZZACHSA-N 2 1 265.361 -0.024 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000629801584 356796440 /nfs/dbraw/zinc/79/64/40/356796440.db2.gz AUBGGPMPBHYBSM-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000629801585 356796640 /nfs/dbraw/zinc/79/66/40/356796640.db2.gz AUBGGPMPBHYBSM-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000629810476 356797481 /nfs/dbraw/zinc/79/74/81/356797481.db2.gz ZMLCLDMRSCKSRF-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP C[NH+]1CCC(CC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000629915040 356807033 /nfs/dbraw/zinc/80/70/33/356807033.db2.gz BNMROGGHFLXIKK-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP [NH3+]C1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000630343700 356835453 /nfs/dbraw/zinc/83/54/53/356835453.db2.gz LHMGMKIBXMWUCQ-UHFFFAOYSA-N 2 1 270.377 -0.159 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC000629973874 356813687 /nfs/dbraw/zinc/81/36/87/356813687.db2.gz KHIKEZOFDFUVNF-CYBMUJFWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CCOCC[NH3+] ZINC000629575488 356781461 /nfs/dbraw/zinc/78/14/61/356781461.db2.gz OAFLTQSRGKGYAW-NWDGAFQWSA-N 2 1 273.377 -0.423 20 0 CBADMP C[N@H+](CCOCC[NH3+])CC(=O)NCc1cccnc1 ZINC000629578591 356782588 /nfs/dbraw/zinc/78/25/88/356782588.db2.gz SQHPCPFJFDTCHD-UHFFFAOYSA-N 2 1 266.345 -0.395 20 0 CBADMP C[N@@H+](CCOCC[NH3+])CC(=O)NCc1cccnc1 ZINC000629578591 356782589 /nfs/dbraw/zinc/78/25/89/356782589.db2.gz SQHPCPFJFDTCHD-UHFFFAOYSA-N 2 1 266.345 -0.395 20 0 CBADMP CCN1CCN(C(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+])CC1 ZINC000629578539 356782597 /nfs/dbraw/zinc/78/25/97/356782597.db2.gz QJWYSIYKDDGPHL-ZDUSSCGKSA-N 2 1 286.420 -0.554 20 0 CBADMP C[N@@H+](CCOCC[NH3+])CCC(=O)N1CCOCC1 ZINC000629578218 356782679 /nfs/dbraw/zinc/78/26/79/356782679.db2.gz HSNUUFZJWLVEFL-UHFFFAOYSA-N 2 1 259.350 -0.858 20 0 CBADMP O=C(CC[N@@H+]1CCO[C@H](CCF)C1)N1CC[NH2+]CC1 ZINC000629581061 356782895 /nfs/dbraw/zinc/78/28/95/356782895.db2.gz LSACVUMOAORNJS-GFCCVEGCSA-N 2 1 273.352 -0.131 20 0 CBADMP O=C(CC[N@H+]1CCO[C@H](CCF)C1)N1CC[NH2+]CC1 ZINC000629581061 356782897 /nfs/dbraw/zinc/78/28/97/356782897.db2.gz LSACVUMOAORNJS-GFCCVEGCSA-N 2 1 273.352 -0.131 20 0 CBADMP CN1CCOC[C@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000629599882 356784907 /nfs/dbraw/zinc/78/49/07/356784907.db2.gz NWXDFMBMIIXSSH-CHWSQXEVSA-N 2 1 257.378 -0.638 20 0 CBADMP CN1CCOC[C@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000629599882 356784909 /nfs/dbraw/zinc/78/49/09/356784909.db2.gz NWXDFMBMIIXSSH-CHWSQXEVSA-N 2 1 257.378 -0.638 20 0 CBADMP CC(=O)NC[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000629595574 356784955 /nfs/dbraw/zinc/78/49/55/356784955.db2.gz UDGSNDUSLCMKME-AWEZNQCLSA-N 2 1 268.405 -0.118 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+](C)C ZINC000629612250 356787025 /nfs/dbraw/zinc/78/70/25/356787025.db2.gz ZBBSDQNCZLCMSE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000629610026 356787401 /nfs/dbraw/zinc/78/74/01/356787401.db2.gz ZNORLHCQHOZXNL-KBPBESRZSA-N 2 1 298.431 -0.628 20 0 CBADMP NC(=O)[C@@H]1CCCN1CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629610026 356787403 /nfs/dbraw/zinc/78/74/03/356787403.db2.gz ZNORLHCQHOZXNL-KBPBESRZSA-N 2 1 298.431 -0.628 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H](OC)C[C@]2(C)C[NH3+])C1 ZINC000630371919 356840280 /nfs/dbraw/zinc/84/02/80/356840280.db2.gz CCHFIINOTICQHH-MBNYWOFBSA-N 2 1 285.388 -0.328 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H](OC)C[C@]2(C)C[NH3+])C1 ZINC000630371919 356840282 /nfs/dbraw/zinc/84/02/82/356840282.db2.gz CCHFIINOTICQHH-MBNYWOFBSA-N 2 1 285.388 -0.328 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](OC)C[C@]2(C)C[NH3+])C1 ZINC000630371921 356840425 /nfs/dbraw/zinc/84/04/25/356840425.db2.gz CCHFIINOTICQHH-SGMGOOAPSA-N 2 1 285.388 -0.328 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](OC)C[C@]2(C)C[NH3+])C1 ZINC000630371921 356840428 /nfs/dbraw/zinc/84/04/28/356840428.db2.gz CCHFIINOTICQHH-SGMGOOAPSA-N 2 1 285.388 -0.328 20 0 CBADMP OC[C@H]1CCC[N@@H+]1Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630603720 356854752 /nfs/dbraw/zinc/85/47/52/356854752.db2.gz LAKXRSZMDLQGFZ-DGCLKSJQSA-N 2 1 265.361 -0.013 20 0 CBADMP OC[C@H]1CCC[N@H+]1Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630603720 356854758 /nfs/dbraw/zinc/85/47/58/356854758.db2.gz LAKXRSZMDLQGFZ-DGCLKSJQSA-N 2 1 265.361 -0.013 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000631783732 356906726 /nfs/dbraw/zinc/90/67/26/356906726.db2.gz DHSKQJBVAZIPPR-LLVKDONJSA-N 2 1 263.407 -0.048 20 0 CBADMP C[C@H]1OCC[C@H]1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000631820803 356908705 /nfs/dbraw/zinc/90/87/05/356908705.db2.gz GWMQNLKWADBWFB-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCN(C2CCC2)C1=O ZINC000631821570 356908886 /nfs/dbraw/zinc/90/88/86/356908886.db2.gz BVSYTVPBLJTLFO-CQSZACIVSA-N 2 1 280.416 -0.023 20 0 CBADMP CS(=O)(=O)N[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000631867335 356914628 /nfs/dbraw/zinc/91/46/28/356914628.db2.gz QWWJICQMYBOJLC-NEPJUHHUSA-N 2 1 275.418 0.000 20 0 CBADMP O=C1CNC(=O)N1CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886490 356915883 /nfs/dbraw/zinc/91/58/83/356915883.db2.gz IGAWAITVFCPZMP-GHMZBOCLSA-N 2 1 266.345 -0.388 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886490 356915884 /nfs/dbraw/zinc/91/58/84/356915884.db2.gz IGAWAITVFCPZMP-GHMZBOCLSA-N 2 1 266.345 -0.388 20 0 CBADMP CC[NH2+]CCCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631901669 356917706 /nfs/dbraw/zinc/91/77/06/356917706.db2.gz KXTCXQYTBCGTIX-UHFFFAOYSA-N 2 1 263.407 0.000 20 0 CBADMP C[NH2+][C@H]1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000631901004 356918302 /nfs/dbraw/zinc/91/83/02/356918302.db2.gz OMJMLLFXSLHGDL-JTQLQIEISA-N 2 1 261.391 -0.296 20 0 CBADMP O=S(=O)(CCC[NH+]1CCCC1)N1CC[NH2+]CC1 ZINC000631901285 356918330 /nfs/dbraw/zinc/91/83/30/356918330.db2.gz XRFPMFSOZKKELO-UHFFFAOYSA-N 2 1 261.391 -0.293 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NCC[NH2+]C2CC2)CC1 ZINC000631903623 356919967 /nfs/dbraw/zinc/91/99/67/356919967.db2.gz OSDFBERXEJMUCV-UHFFFAOYSA-N 2 1 261.391 -0.248 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CCO1 ZINC000631907283 356921341 /nfs/dbraw/zinc/92/13/41/356921341.db2.gz IBVOFYXXUIEVNC-QWRGUYRKSA-N 2 1 291.417 -0.542 20 0 CBADMP CCCC[N@@H+](C)CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631919937 356923173 /nfs/dbraw/zinc/92/31/73/356923173.db2.gz PBTRXXUQHVYZRI-GFCCVEGCSA-N 2 1 293.433 -0.374 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000631931529 356925251 /nfs/dbraw/zinc/92/52/51/356925251.db2.gz KPRFNUNCWOVCRZ-SNVBAGLBSA-N 2 1 261.391 -0.263 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000631936722 356928288 /nfs/dbraw/zinc/92/82/88/356928288.db2.gz KBDBIZFDFJFEKP-NEPJUHHUSA-N 2 1 291.417 -0.669 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631975085 356937786 /nfs/dbraw/zinc/93/77/86/356937786.db2.gz CKXLZZMDSVMWOA-ZJUUUORDSA-N 2 1 261.391 -0.168 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631975083 356937904 /nfs/dbraw/zinc/93/79/04/356937904.db2.gz CKXLZZMDSVMWOA-UWVGGRQHSA-N 2 1 261.391 -0.168 20 0 CBADMP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000631708730 356902411 /nfs/dbraw/zinc/90/24/11/356902411.db2.gz GMYYBJLLRLKRGI-WDEREUQCSA-N 2 1 263.407 -0.002 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633089754 357042255 /nfs/dbraw/zinc/04/22/55/357042255.db2.gz HSXAHDFTYNAORS-RWMBFGLXSA-N 2 1 294.399 -0.642 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633089754 357042257 /nfs/dbraw/zinc/04/22/57/357042257.db2.gz HSXAHDFTYNAORS-RWMBFGLXSA-N 2 1 294.399 -0.642 20 0 CBADMP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633091128 357043153 /nfs/dbraw/zinc/04/31/53/357043153.db2.gz IAQCHFOLFKRQNZ-AAEUAGOBSA-N 2 1 292.383 -0.744 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000633114945 357048996 /nfs/dbraw/zinc/04/89/96/357048996.db2.gz FAJILERLCDINRI-UPJWGTAASA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000633117208 357050299 /nfs/dbraw/zinc/05/02/99/357050299.db2.gz AWHNWZOSWYDVAO-WDEREUQCSA-N 2 1 282.388 -0.513 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC[N@@H+]1C ZINC000633139895 357052230 /nfs/dbraw/zinc/05/22/30/357052230.db2.gz IHSKCZDKVUFGEN-AGIUHOORSA-N 2 1 296.415 -0.267 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC[N@H+]1C ZINC000633139895 357052233 /nfs/dbraw/zinc/05/22/33/357052233.db2.gz IHSKCZDKVUFGEN-AGIUHOORSA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000633148279 357052570 /nfs/dbraw/zinc/05/25/70/357052570.db2.gz UNAXUDOONSPSEF-NEPJUHHUSA-N 2 1 294.399 -0.369 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCNC1=O ZINC000633615224 357074684 /nfs/dbraw/zinc/07/46/84/357074684.db2.gz YHHHOMZZDHAOFV-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCNC1=O ZINC000633615224 357074688 /nfs/dbraw/zinc/07/46/88/357074688.db2.gz YHHHOMZZDHAOFV-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634270505 357113722 /nfs/dbraw/zinc/11/37/22/357113722.db2.gz NNIYSCDMHUCATI-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634270505 357113726 /nfs/dbraw/zinc/11/37/26/357113726.db2.gz NNIYSCDMHUCATI-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCC[NH+]1CCOCC1 ZINC000635526655 357172572 /nfs/dbraw/zinc/17/25/72/357172572.db2.gz UKFDOTBFNURCGD-NWDGAFQWSA-N 2 1 270.377 -0.160 20 0 CBADMP CN(C[C@@H](O)C[NH+]1CCOCC1)CC12CC(C1)C[NH2+]2 ZINC000634993294 357142179 /nfs/dbraw/zinc/14/21/79/357142179.db2.gz PWENOQWPYRMQMW-ROKHWSDSSA-N 2 1 269.389 -0.637 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCC[NH+]1CCOCC1 ZINC000635526659 357173097 /nfs/dbraw/zinc/17/30/97/357173097.db2.gz UKFDOTBFNURCGD-RYUDHWBXSA-N 2 1 270.377 -0.160 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(N)=O ZINC000635466416 357166547 /nfs/dbraw/zinc/16/65/47/357166547.db2.gz VRAZLKNLMYWRLL-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000634533871 357122945 /nfs/dbraw/zinc/12/29/45/357122945.db2.gz SDUXFJWPKSOPQA-GRYCIOLGSA-N 2 1 281.356 -0.746 20 0 CBADMP C[C@](O)(C[C@@H](O)C[NH2+]C1CC[NH+](CCO)CC1)C1CC1 ZINC000634645559 357125490 /nfs/dbraw/zinc/12/54/90/357125490.db2.gz OXVBKZKYKKTSSE-CABCVRRESA-N 2 1 286.416 -0.055 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635728442 357197523 /nfs/dbraw/zinc/19/75/23/357197523.db2.gz XRZFJLLYUSLBAP-AAEUAGOBSA-N 2 1 257.378 -0.243 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1CC([NH+](C)C)C1 ZINC000635745283 357200174 /nfs/dbraw/zinc/20/01/74/357200174.db2.gz VEMYMDLUHQWGOD-UHFFFAOYSA-N 2 1 287.404 -0.256 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1)[NH+](C)C ZINC000635928457 357235391 /nfs/dbraw/zinc/23/53/91/357235391.db2.gz GPFUKRFWVZOCBB-UTUOFQBUSA-N 2 1 255.362 -0.396 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H](C(=O)N2CC[NH2+]C(C)(C)C2)O1 ZINC000635644171 357187210 /nfs/dbraw/zinc/18/72/10/357187210.db2.gz CXQGOAVODPTLQP-QWRGUYRKSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)N2CC[NH2+]C(C)(C)C2)O1 ZINC000635644171 357187213 /nfs/dbraw/zinc/18/72/13/357187213.db2.gz CXQGOAVODPTLQP-QWRGUYRKSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H](C(=O)N2CC[NH2+]C(C)(C)C2)O1 ZINC000635644176 357187539 /nfs/dbraw/zinc/18/75/39/357187539.db2.gz CXQGOAVODPTLQP-WDEREUQCSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[NH2+]C(C)(C)C2)O1 ZINC000635644176 357187540 /nfs/dbraw/zinc/18/75/40/357187540.db2.gz CXQGOAVODPTLQP-WDEREUQCSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[C@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000636317795 357281574 /nfs/dbraw/zinc/28/15/74/357281574.db2.gz LMZYYRKWZUUEFJ-CQSZACIVSA-N 2 1 298.431 -0.195 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000636317792 357281586 /nfs/dbraw/zinc/28/15/86/357281586.db2.gz LMZYYRKWZUUEFJ-AWEZNQCLSA-N 2 1 298.431 -0.195 20 0 CBADMP C[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000636468848 357286713 /nfs/dbraw/zinc/28/67/13/357286713.db2.gz UFZGYDISIMDWDZ-LBPRGKRZSA-N 2 1 270.377 -0.554 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000636578682 357289931 /nfs/dbraw/zinc/28/99/31/357289931.db2.gz NLODGZOFCIYYIA-BFHYXJOUSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000636578682 357289936 /nfs/dbraw/zinc/28/99/36/357289936.db2.gz NLODGZOFCIYYIA-BFHYXJOUSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000636578682 357289941 /nfs/dbraw/zinc/28/99/41/357289941.db2.gz NLODGZOFCIYYIA-BFHYXJOUSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000636596609 357291858 /nfs/dbraw/zinc/29/18/58/357291858.db2.gz SUSISALAZONIJA-MGPQQGTHSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000636596609 357291863 /nfs/dbraw/zinc/29/18/63/357291863.db2.gz SUSISALAZONIJA-MGPQQGTHSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000636596609 357291867 /nfs/dbraw/zinc/29/18/67/357291867.db2.gz SUSISALAZONIJA-MGPQQGTHSA-N 2 1 296.415 -0.021 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636624531 357294098 /nfs/dbraw/zinc/29/40/98/357294098.db2.gz VWGRJRAUZTUXGJ-VXGBXAGGSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000636624531 357294099 /nfs/dbraw/zinc/29/40/99/357294099.db2.gz VWGRJRAUZTUXGJ-VXGBXAGGSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000636624531 357294101 /nfs/dbraw/zinc/29/41/01/357294101.db2.gz VWGRJRAUZTUXGJ-VXGBXAGGSA-N 2 1 270.377 -0.554 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000636645219 357295444 /nfs/dbraw/zinc/29/54/44/357295444.db2.gz NSIRXJVMMQXLSI-VXGBXAGGSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636645219 357295448 /nfs/dbraw/zinc/29/54/48/357295448.db2.gz NSIRXJVMMQXLSI-VXGBXAGGSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636645219 357295452 /nfs/dbraw/zinc/29/54/52/357295452.db2.gz NSIRXJVMMQXLSI-VXGBXAGGSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636665492 357295773 /nfs/dbraw/zinc/29/57/73/357295773.db2.gz LPMZERYTEMFZCJ-NEPJUHHUSA-N 2 1 272.393 -0.308 20 0 CBADMP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000636844698 357306648 /nfs/dbraw/zinc/30/66/48/357306648.db2.gz KYQFEQASYFSJQW-YNEHKIRRSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000636844698 357306653 /nfs/dbraw/zinc/30/66/53/357306653.db2.gz KYQFEQASYFSJQW-YNEHKIRRSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H]1C[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000636844698 357306654 /nfs/dbraw/zinc/30/66/54/357306654.db2.gz KYQFEQASYFSJQW-YNEHKIRRSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+](C)C ZINC000635977257 357242760 /nfs/dbraw/zinc/24/27/60/357242760.db2.gz YVQGSYVWXQBDEV-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000635998374 357247623 /nfs/dbraw/zinc/24/76/23/357247623.db2.gz DRLJCVUETRQQDM-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC000636012436 357251076 /nfs/dbraw/zinc/25/10/76/357251076.db2.gz UYVZDJNJUQNRNS-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC000636012436 357251078 /nfs/dbraw/zinc/25/10/78/357251078.db2.gz UYVZDJNJUQNRNS-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636012436 357251081 /nfs/dbraw/zinc/25/10/81/357251081.db2.gz UYVZDJNJUQNRNS-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636012436 357251084 /nfs/dbraw/zinc/25/10/84/357251084.db2.gz UYVZDJNJUQNRNS-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000636257065 357274585 /nfs/dbraw/zinc/27/45/85/357274585.db2.gz ZTWMSXUUFAURPY-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000636257065 357274589 /nfs/dbraw/zinc/27/45/89/357274589.db2.gz ZTWMSXUUFAURPY-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000636257065 357274593 /nfs/dbraw/zinc/27/45/93/357274593.db2.gz ZTWMSXUUFAURPY-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000637813097 357369792 /nfs/dbraw/zinc/36/97/92/357369792.db2.gz JLTUICWMXJPOKJ-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H](C)O2)C1 ZINC000637836344 357373737 /nfs/dbraw/zinc/37/37/37/357373737.db2.gz ZDRWFACZJCXASG-SDDRHHMPSA-N 2 1 255.362 -0.227 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H](C)O2)C1 ZINC000637836344 357373739 /nfs/dbraw/zinc/37/37/39/357373739.db2.gz ZDRWFACZJCXASG-SDDRHHMPSA-N 2 1 255.362 -0.227 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H](C)O2)C1 ZINC000637836345 357374112 /nfs/dbraw/zinc/37/41/12/357374112.db2.gz ZDRWFACZJCXASG-SRVKXCTJSA-N 2 1 255.362 -0.227 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H](C)O2)C1 ZINC000637836345 357374117 /nfs/dbraw/zinc/37/41/17/357374117.db2.gz ZDRWFACZJCXASG-SRVKXCTJSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C[N@H+]1C1CC1 ZINC000636907202 357311273 /nfs/dbraw/zinc/31/12/73/357311273.db2.gz LUXPAJSWVRIAQY-OBJOEFQTSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@H]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C[NH+]1C1CC1 ZINC000636907202 357311277 /nfs/dbraw/zinc/31/12/77/357311277.db2.gz LUXPAJSWVRIAQY-OBJOEFQTSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@H]1C[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C[NH+]1C1CC1 ZINC000636907202 357311281 /nfs/dbraw/zinc/31/12/81/357311281.db2.gz LUXPAJSWVRIAQY-OBJOEFQTSA-N 2 1 296.415 -0.023 20 0 CBADMP CC[N@H+]1C[C@H](C)[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636912586 357311629 /nfs/dbraw/zinc/31/16/29/357311629.db2.gz KGWXIQCNNNCLRY-YNEHKIRRSA-N 2 1 284.404 -0.308 20 0 CBADMP CC[NH+]1C[C@H](C)[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000636912586 357311631 /nfs/dbraw/zinc/31/16/31/357311631.db2.gz KGWXIQCNNNCLRY-YNEHKIRRSA-N 2 1 284.404 -0.308 20 0 CBADMP CC[NH+]1C[C@H](C)[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000636912586 357311633 /nfs/dbraw/zinc/31/16/33/357311633.db2.gz KGWXIQCNNNCLRY-YNEHKIRRSA-N 2 1 284.404 -0.308 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000636923892 357312657 /nfs/dbraw/zinc/31/26/57/357312657.db2.gz ZUEWBNAACWXYMG-YUTCNCBUSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636923892 357312664 /nfs/dbraw/zinc/31/26/64/357312664.db2.gz ZUEWBNAACWXYMG-YUTCNCBUSA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636923892 357312668 /nfs/dbraw/zinc/31/26/68/357312668.db2.gz ZUEWBNAACWXYMG-YUTCNCBUSA-N 2 1 296.415 -0.165 20 0 CBADMP C[NH+](C)C1(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)CCC1 ZINC000637069585 357320292 /nfs/dbraw/zinc/32/02/92/357320292.db2.gz CXCYEYGZBUJTOT-LBPRGKRZSA-N 2 1 284.404 -0.164 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H]1CCc2[nH]cnc2C1 ZINC000637157302 357326693 /nfs/dbraw/zinc/32/66/93/357326693.db2.gz SNPIRDBTCNZAHV-WDEREUQCSA-N 2 1 293.371 -0.367 20 0 CBADMP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CCc2nc[nH]c2C1 ZINC000637157302 357326694 /nfs/dbraw/zinc/32/66/94/357326694.db2.gz SNPIRDBTCNZAHV-WDEREUQCSA-N 2 1 293.371 -0.367 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H]1CCc2nc[nH]c2C1 ZINC000637157302 357326695 /nfs/dbraw/zinc/32/66/95/357326695.db2.gz SNPIRDBTCNZAHV-WDEREUQCSA-N 2 1 293.371 -0.367 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000637283636 357337694 /nfs/dbraw/zinc/33/76/94/357337694.db2.gz WILINDZGILNGJZ-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000637283636 357337697 /nfs/dbraw/zinc/33/76/97/357337697.db2.gz WILINDZGILNGJZ-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000637283636 357337701 /nfs/dbraw/zinc/33/77/01/357337701.db2.gz WILINDZGILNGJZ-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000637316939 357339787 /nfs/dbraw/zinc/33/97/87/357339787.db2.gz JGCLFKQWLHEUPB-RYUDHWBXSA-N 2 1 284.404 -0.165 20 0 CBADMP C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637376815 357340403 /nfs/dbraw/zinc/34/04/03/357340403.db2.gz VFZDVYOYAGQGHH-LBPRGKRZSA-N 2 1 297.403 -0.717 20 0 CBADMP C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637376815 357340407 /nfs/dbraw/zinc/34/04/07/357340407.db2.gz VFZDVYOYAGQGHH-LBPRGKRZSA-N 2 1 297.403 -0.717 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000637532932 357356149 /nfs/dbraw/zinc/35/61/49/357356149.db2.gz OPABWNVGGFSJDO-RWMBFGLXSA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000637532932 357356151 /nfs/dbraw/zinc/35/61/51/357356151.db2.gz OPABWNVGGFSJDO-RWMBFGLXSA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000637532932 357356152 /nfs/dbraw/zinc/35/61/52/357356152.db2.gz OPABWNVGGFSJDO-RWMBFGLXSA-N 2 1 282.388 -0.459 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1CCC([NH3+])CC1 ZINC000637799143 357365832 /nfs/dbraw/zinc/36/58/32/357365832.db2.gz RCPPACOWCSYYFW-UHFFFAOYSA-N 2 1 287.404 -0.079 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638237717 357440959 /nfs/dbraw/zinc/44/09/59/357440959.db2.gz VIQFGHSOJGRECM-CYBMUJFWSA-N 2 1 277.372 -0.302 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638047601 357404855 /nfs/dbraw/zinc/40/48/55/357404855.db2.gz IHBFNHXBISWPLR-DGCLKSJQSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@]1(C(=O)NCCC[NH+]2CCOCC2)C[NH2+]CCO1 ZINC000638046979 357405582 /nfs/dbraw/zinc/40/55/82/357405582.db2.gz HCCBWOBCTBEAMA-CYBMUJFWSA-N 2 1 271.361 -0.797 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000638051774 357405888 /nfs/dbraw/zinc/40/58/88/357405888.db2.gz QQJQOHULJFQWPV-UPJWGTAASA-N 2 1 283.372 -0.574 20 0 CBADMP CC(C)[C@@H](CNC(=O)CN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000638060706 357407628 /nfs/dbraw/zinc/40/76/28/357407628.db2.gz OVXVTGYYQBGJSZ-CQSZACIVSA-N 2 1 298.431 -0.635 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000638075063 357410715 /nfs/dbraw/zinc/41/07/15/357410715.db2.gz PXNIGZKOAXXJLP-KXNHARMFSA-N 2 1 253.346 -0.154 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000638240275 357442299 /nfs/dbraw/zinc/44/22/99/357442299.db2.gz ICUKSNBRNGHDRS-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000638090475 357414133 /nfs/dbraw/zinc/41/41/33/357414133.db2.gz XLKQVVWLDAVESF-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638091428 357414478 /nfs/dbraw/zinc/41/44/78/357414478.db2.gz NYNBEGGFEUUGLN-CYBMUJFWSA-N 2 1 273.377 -0.564 20 0 CBADMP C[C@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)C[NH+]1CCOCC1 ZINC000638091811 357414949 /nfs/dbraw/zinc/41/49/49/357414949.db2.gz ZAVNZXWMFRXFDD-TZMCWYRMSA-N 2 1 285.388 -0.551 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]2(COC)CCCC[NH2+]2)C1 ZINC000638100834 357417271 /nfs/dbraw/zinc/41/72/71/357417271.db2.gz MWVVRTAAABDXAX-DZGCQCFKSA-N 2 1 299.415 -0.018 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638099400 357417403 /nfs/dbraw/zinc/41/74/03/357417403.db2.gz HMGGKMJYTNZFCA-AAEUAGOBSA-N 2 1 271.361 -0.798 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000638102084 357417871 /nfs/dbraw/zinc/41/78/71/357417871.db2.gz RQFDALCZBZGGJH-TUAOUCFPSA-N 2 1 253.346 -0.297 20 0 CBADMP CN(C(=O)[C@@H]1OCC[C@@H]1[NH3+])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638102196 357418251 /nfs/dbraw/zinc/41/82/51/357418251.db2.gz TZPNSWFPVIXQSR-GRYCIOLGSA-N 2 1 253.346 -0.202 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638122355 357421786 /nfs/dbraw/zinc/42/17/86/357421786.db2.gz JWIRMVVGMPBOMV-UHFFFAOYSA-N 2 1 281.360 -0.367 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638124170 357421876 /nfs/dbraw/zinc/42/18/76/357421876.db2.gz SNXZXHZNBFDKOP-WDEREUQCSA-N 2 1 259.350 -0.813 20 0 CBADMP CC[NH2+][C@H](C)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000638125551 357423202 /nfs/dbraw/zinc/42/32/02/357423202.db2.gz KMZCQEYEEJBZRL-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638134736 357424349 /nfs/dbraw/zinc/42/43/49/357424349.db2.gz OIFVKIGMXNDBEA-SASUGWTJSA-N 2 1 253.346 -0.299 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCC1C[NH2+]C1 ZINC000638154166 357427334 /nfs/dbraw/zinc/42/73/34/357427334.db2.gz RRWPKFFPQHSKAV-CQSZACIVSA-N 2 1 276.384 -0.219 20 0 CBADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NCC1C[NH2+]C1 ZINC000638154166 357427338 /nfs/dbraw/zinc/42/73/38/357427338.db2.gz RRWPKFFPQHSKAV-CQSZACIVSA-N 2 1 276.384 -0.219 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000638173365 357431334 /nfs/dbraw/zinc/43/13/34/357431334.db2.gz GATBLDIRXWIOEK-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC(F)(F)C[NH3+])C1 ZINC000638174948 357432467 /nfs/dbraw/zinc/43/24/67/357432467.db2.gz SVXXVRGFIASQGK-IONNQARKSA-N 2 1 251.277 -0.536 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH2+]CC2)O1 ZINC000638191246 357432872 /nfs/dbraw/zinc/43/28/72/357432872.db2.gz XCRAHRJGGOKQQA-IJLUTSLNSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH2+]CC2)O1 ZINC000638191246 357432877 /nfs/dbraw/zinc/43/28/77/357432877.db2.gz XCRAHRJGGOKQQA-IJLUTSLNSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)O1 ZINC000638204001 357434576 /nfs/dbraw/zinc/43/45/76/357434576.db2.gz IADAGONSPNEIHZ-WRWGMCAJSA-N 2 1 255.362 -0.086 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)O1 ZINC000638204001 357434577 /nfs/dbraw/zinc/43/45/77/357434577.db2.gz IADAGONSPNEIHZ-WRWGMCAJSA-N 2 1 255.362 -0.086 20 0 CBADMP C[C@H](C(=O)N1CC[NH2+]C[C@H]1c1nccn1C)[NH+](C)C ZINC000638222982 357436622 /nfs/dbraw/zinc/43/66/22/357436622.db2.gz QWLVNHMHJAKMNT-MNOVXSKESA-N 2 1 265.361 -0.157 20 0 CBADMP C[C@@]1(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)C[NH2+]CCO1 ZINC000638253462 357443852 /nfs/dbraw/zinc/44/38/52/357443852.db2.gz NZCKOMGJVKLYSI-NEPJUHHUSA-N 2 1 259.325 -0.475 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000638571926 357495858 /nfs/dbraw/zinc/49/58/58/357495858.db2.gz BNMMAMIDSSMUFL-RWMBFGLXSA-N 2 1 268.405 -0.121 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCOCC[NH2+]C)C1 ZINC000638578698 357497239 /nfs/dbraw/zinc/49/72/39/357497239.db2.gz HUFOPYIBOVQQFV-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCOCC[NH2+]C)C1 ZINC000638578698 357497242 /nfs/dbraw/zinc/49/72/42/357497242.db2.gz HUFOPYIBOVQQFV-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)O1 ZINC000638249288 357444498 /nfs/dbraw/zinc/44/44/98/357444498.db2.gz WAUDUZGYQAEUMF-RCWTZXSCSA-N 2 1 259.325 -0.478 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)O1 ZINC000638249288 357444501 /nfs/dbraw/zinc/44/45/01/357444501.db2.gz WAUDUZGYQAEUMF-RCWTZXSCSA-N 2 1 259.325 -0.478 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)O1 ZINC000638267844 357446078 /nfs/dbraw/zinc/44/60/78/357446078.db2.gz UMHHBLKYJAFQDS-RVMXOQNASA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)O1 ZINC000638267844 357446082 /nfs/dbraw/zinc/44/60/82/357446082.db2.gz UMHHBLKYJAFQDS-RVMXOQNASA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)O1 ZINC000638267852 357446503 /nfs/dbraw/zinc/44/65/03/357446503.db2.gz UMHHBLKYJAFQDS-XQHKEYJVSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)O1 ZINC000638267852 357446505 /nfs/dbraw/zinc/44/65/05/357446505.db2.gz UMHHBLKYJAFQDS-XQHKEYJVSA-N 2 1 267.373 -0.084 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638275417 357447932 /nfs/dbraw/zinc/44/79/32/357447932.db2.gz RTMQJKJIWBPJBN-HNNXBMFYSA-N 2 1 299.415 -0.077 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638274378 357448537 /nfs/dbraw/zinc/44/85/37/357448537.db2.gz NQYCCMSRAQHNFX-ZFWWWQNUSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CN1CC[NH2+]CC1 ZINC000638284450 357451915 /nfs/dbraw/zinc/45/19/15/357451915.db2.gz GVHVRICKZLAEKM-STQMWFEESA-N 2 1 268.405 -0.310 20 0 CBADMP [NH3+][C@H]1CC=C(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000638295103 357453324 /nfs/dbraw/zinc/45/33/24/357453324.db2.gz SUTAHBYYTJPRKR-LBPRGKRZSA-N 2 1 253.346 -0.128 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000638326533 357458702 /nfs/dbraw/zinc/45/87/02/357458702.db2.gz ZUVYOOYOFDRLRL-ABHRYQDASA-N 2 1 297.399 -0.315 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000638424726 357474698 /nfs/dbraw/zinc/47/46/98/357474698.db2.gz IXURGVYGSWMGCR-NWDGAFQWSA-N 2 1 254.378 -0.510 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638540882 357494748 /nfs/dbraw/zinc/49/47/48/357494748.db2.gz BHMVINNFWPKONZ-NSHDSACASA-N 2 1 255.362 -0.048 20 0 CBADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2O)CC1 ZINC000639362329 357570356 /nfs/dbraw/zinc/57/03/56/357570356.db2.gz CLMQSRWEAFCCCK-NEPJUHHUSA-N 2 1 258.362 -0.429 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000638644783 357515684 /nfs/dbraw/zinc/51/56/84/357515684.db2.gz SAAUAVILQHLMLN-UTUOFQBUSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000638644783 357515687 /nfs/dbraw/zinc/51/56/87/357515687.db2.gz SAAUAVILQHLMLN-UTUOFQBUSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638926123 357544238 /nfs/dbraw/zinc/54/42/38/357544238.db2.gz VPWUIUKWZRMNOZ-TUAOUCFPSA-N 2 1 253.346 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638926123 357544241 /nfs/dbraw/zinc/54/42/41/357544241.db2.gz VPWUIUKWZRMNOZ-TUAOUCFPSA-N 2 1 253.346 -0.330 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](OC)C[C@]1(C)CO ZINC000639999911 357626287 /nfs/dbraw/zinc/62/62/87/357626287.db2.gz BBACDSPFTKYJIR-RWMBFGLXSA-N 2 1 260.378 -0.229 20 0 CBADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000639999911 357626290 /nfs/dbraw/zinc/62/62/90/357626290.db2.gz BBACDSPFTKYJIR-RWMBFGLXSA-N 2 1 260.378 -0.229 20 0 CBADMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000639999911 357626294 /nfs/dbraw/zinc/62/62/94/357626294.db2.gz BBACDSPFTKYJIR-RWMBFGLXSA-N 2 1 260.378 -0.229 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](OC)C[C@]1(C)CO ZINC000639999911 357626298 /nfs/dbraw/zinc/62/62/98/357626298.db2.gz BBACDSPFTKYJIR-RWMBFGLXSA-N 2 1 260.378 -0.229 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](OC)C[C@]1(C)CO ZINC000639999911 357626301 /nfs/dbraw/zinc/62/63/01/357626301.db2.gz BBACDSPFTKYJIR-RWMBFGLXSA-N 2 1 260.378 -0.229 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000639999911 357626306 /nfs/dbraw/zinc/62/63/06/357626306.db2.gz BBACDSPFTKYJIR-RWMBFGLXSA-N 2 1 260.378 -0.229 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000639999911 357626310 /nfs/dbraw/zinc/62/63/10/357626310.db2.gz BBACDSPFTKYJIR-RWMBFGLXSA-N 2 1 260.378 -0.229 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](n2ccnn2)C1 ZINC000639706150 357586485 /nfs/dbraw/zinc/58/64/85/357586485.db2.gz ABXCGYPFDRLIQU-STQMWFEESA-N 2 1 283.376 -0.536 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](n2ccnn2)C1 ZINC000639706150 357586488 /nfs/dbraw/zinc/58/64/88/357586488.db2.gz ABXCGYPFDRLIQU-STQMWFEESA-N 2 1 283.376 -0.536 20 0 CBADMP CCOC[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761752 357595596 /nfs/dbraw/zinc/59/55/96/357595596.db2.gz IYWBQHIMYZONRS-QWHCGFSZSA-N 2 1 260.378 -0.228 20 0 CBADMP CCOC[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761752 357595600 /nfs/dbraw/zinc/59/56/00/357595600.db2.gz IYWBQHIMYZONRS-QWHCGFSZSA-N 2 1 260.378 -0.228 20 0 CBADMP CC(=O)NCCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764036 357596203 /nfs/dbraw/zinc/59/62/03/357596203.db2.gz YTNJQGJUWIRMRF-ZDUSSCGKSA-N 2 1 257.378 -0.099 20 0 CBADMP CC(=O)NCCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764036 357596206 /nfs/dbraw/zinc/59/62/06/357596206.db2.gz YTNJQGJUWIRMRF-ZDUSSCGKSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000639764425 357596488 /nfs/dbraw/zinc/59/64/88/357596488.db2.gz VOGYFFXKBHTWCQ-KGLIPLIRSA-N 2 1 282.388 -0.368 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000639764425 357596489 /nfs/dbraw/zinc/59/64/89/357596489.db2.gz VOGYFFXKBHTWCQ-KGLIPLIRSA-N 2 1 282.388 -0.368 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000639768869 357596947 /nfs/dbraw/zinc/59/69/47/357596947.db2.gz UVMNAYGDTMTAGC-GJZGRUSLSA-N 2 1 285.432 -0.170 20 0 CBADMP Cn1cncc1CC[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943473 357619303 /nfs/dbraw/zinc/61/93/03/357619303.db2.gz ZIMIRWUNOGKZDY-OKILXGFUSA-N 2 1 276.340 -0.053 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639945036 357619810 /nfs/dbraw/zinc/61/98/10/357619810.db2.gz RCBIGWLBHMXWLZ-NILFDRSVSA-N 2 1 297.399 -0.328 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945035 357619926 /nfs/dbraw/zinc/61/99/26/357619926.db2.gz RCBIGWLBHMXWLZ-DFBGVHRSSA-N 2 1 297.399 -0.328 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945035 357619931 /nfs/dbraw/zinc/61/99/31/357619931.db2.gz RCBIGWLBHMXWLZ-DFBGVHRSSA-N 2 1 297.399 -0.328 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945035 357619934 /nfs/dbraw/zinc/61/99/34/357619934.db2.gz RCBIGWLBHMXWLZ-DFBGVHRSSA-N 2 1 297.399 -0.328 20 0 CBADMP CC[NH+]1CCN(C(=O)CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000640358709 357650283 /nfs/dbraw/zinc/65/02/83/357650283.db2.gz CASOTPDNTZDKCK-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP 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 357655566 /nfs/dbraw/zinc/65/55/66/357655566.db2.gz BHYKKTUEBKVYHO-KLLCGCCRSA-N 2 1 252.358 -0.244 20 0 CBADMP 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 357655568 /nfs/dbraw/zinc/65/55/68/357655568.db2.gz BHYKKTUEBKVYHO-KLLCGCCRSA-N 2 1 252.358 -0.244 20 0 CBADMP 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 357655572 /nfs/dbraw/zinc/65/55/72/357655572.db2.gz BHYKKTUEBKVYHO-KLLCGCCRSA-N 2 1 252.358 -0.244 20 0 CBADMP C[NH+](C)CCc1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000640837270 357666392 /nfs/dbraw/zinc/66/63/92/357666392.db2.gz NECIGTNOBOMNQE-UHFFFAOYSA-N 2 1 280.376 -0.844 20 0 CBADMP CC[N@H+](C)C[C@H](O)Cn1cc(C[NH+]2CCC[C@@H]2CO)nn1 ZINC000641221422 357680935 /nfs/dbraw/zinc/68/09/35/357680935.db2.gz GEQRETPWWYULRK-KGLIPLIRSA-N 2 1 297.403 -0.453 20 0 CBADMP CC[N@@H+](C)C[C@H](O)Cn1cc(C[NH+]2CCC[C@@H]2CO)nn1 ZINC000641221422 357680942 /nfs/dbraw/zinc/68/09/42/357680942.db2.gz GEQRETPWWYULRK-KGLIPLIRSA-N 2 1 297.403 -0.453 20 0 CBADMP CC[NH+](C)C[C@H](O)Cn1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000641221422 357680946 /nfs/dbraw/zinc/68/09/46/357680946.db2.gz GEQRETPWWYULRK-KGLIPLIRSA-N 2 1 297.403 -0.453 20 0 CBADMP CC[NH+](C)C[C@H](O)Cn1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000641221422 357680953 /nfs/dbraw/zinc/68/09/53/357680953.db2.gz GEQRETPWWYULRK-KGLIPLIRSA-N 2 1 297.403 -0.453 20 0 CBADMP COCC[C@H]([NH3+])Cc1cn(C[C@H](O)C[N@@H+](C)C(C)C)nn1 ZINC000641220752 357681390 /nfs/dbraw/zinc/68/13/90/357681390.db2.gz FHWHPEVMPQJNQF-GXTWGEPZSA-N 2 1 299.419 -0.115 20 0 CBADMP CC[N@@H+](C)C[C@H](O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641223483 357683044 /nfs/dbraw/zinc/68/30/44/357683044.db2.gz RCVJVSMPTXDLGW-AAEUAGOBSA-N 2 1 267.377 -0.257 20 0 CBADMP CC[N@@H+](C)C[C@H](O)Cn1cc(CC[NH+](C)C)nn1 ZINC000641222716 357683171 /nfs/dbraw/zinc/68/31/71/357683171.db2.gz NOGPZWFELYPRKE-LBPRGKRZSA-N 2 1 255.366 -0.305 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641424074 357704550 /nfs/dbraw/zinc/70/45/50/357704550.db2.gz GTKLGNZTEXPZCA-NSHDSACASA-N 2 1 258.366 -0.303 20 0 CBADMP NS(=O)(=O)CCC[N@H+]1C[C@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000641798641 357742334 /nfs/dbraw/zinc/74/23/34/357742334.db2.gz PAMNNRPTOWNENK-GMTAPVOTSA-N 2 1 261.391 -0.276 20 0 CBADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000641803748 357743596 /nfs/dbraw/zinc/74/35/96/357743596.db2.gz HAAGPYVTCLMWPE-GHMZBOCLSA-N 2 1 282.388 -0.560 20 0 CBADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCCCN1CCCC1=O ZINC000641803143 357743934 /nfs/dbraw/zinc/74/39/34/357743934.db2.gz AKSPFPVPAFFPLL-RYUDHWBXSA-N 2 1 296.415 -0.170 20 0 CBADMP CC1(C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C[C@@H]1[NH3+] ZINC000641802243 357744376 /nfs/dbraw/zinc/74/43/76/357744376.db2.gz IIWGTZREABNJPD-WDEREUQCSA-N 2 1 255.362 -0.003 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641823987 357745625 /nfs/dbraw/zinc/74/56/25/357745625.db2.gz CDARXGZMLLZHDE-MNOVXSKESA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641823987 357745626 /nfs/dbraw/zinc/74/56/26/357745626.db2.gz CDARXGZMLLZHDE-MNOVXSKESA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000641824199 357745765 /nfs/dbraw/zinc/74/57/65/357745765.db2.gz FGTBEWFLAYOGQG-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000641824199 357745769 /nfs/dbraw/zinc/74/57/69/357745769.db2.gz FGTBEWFLAYOGQG-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000641995206 357749190 /nfs/dbraw/zinc/74/91/90/357749190.db2.gz BYEUEOIMWGMYDC-HZSPNIEDSA-N 2 1 295.431 -0.232 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000642431139 357754577 /nfs/dbraw/zinc/75/45/77/357754577.db2.gz FHPUDYXIRMLGBY-GFCCVEGCSA-N 2 1 282.388 -0.545 20 0 CBADMP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000642535620 357756590 /nfs/dbraw/zinc/75/65/90/357756590.db2.gz RFGQSBAXFLMRPT-VXGBXAGGSA-N 2 1 294.399 -0.402 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642712987 357759029 /nfs/dbraw/zinc/75/90/29/357759029.db2.gz ANBXBVUMVMFZQF-SNVBAGLBSA-N 2 1 258.366 -0.702 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000642731665 357760062 /nfs/dbraw/zinc/76/00/62/357760062.db2.gz DHUSBUKYKYCTOO-KOLCDFICSA-N 2 1 298.412 -0.070 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000642773329 357761433 /nfs/dbraw/zinc/76/14/33/357761433.db2.gz QXISLXNUXZYIDN-NEPJUHHUSA-N 2 1 296.415 -0.156 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC[NH2+]CC1 ZINC000642785791 357762791 /nfs/dbraw/zinc/76/27/91/357762791.db2.gz KVPJYMSWAOJTQN-CYBMUJFWSA-N 2 1 294.399 -0.591 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000642895454 357764685 /nfs/dbraw/zinc/76/46/85/357764685.db2.gz KHRIZPQDGJPGMD-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642902392 357765740 /nfs/dbraw/zinc/76/57/40/357765740.db2.gz RJRSDQCCMNBHMZ-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000642909330 357767641 /nfs/dbraw/zinc/76/76/41/357767641.db2.gz KTRWIBOKFGAIFZ-SDDRHHMPSA-N 2 1 284.404 -0.171 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000642911761 357768405 /nfs/dbraw/zinc/76/84/05/357768405.db2.gz XINFQMNWGNTIMH-UTUOFQBUSA-N 2 1 282.388 -0.417 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000642911762 357768461 /nfs/dbraw/zinc/76/84/61/357768461.db2.gz XINFQMNWGNTIMH-WOPDTQHZSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000642910410 357768971 /nfs/dbraw/zinc/76/89/71/357768971.db2.gz FUSDUCQEMUXUKF-JTQLQIEISA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)[C@@H]2C1 ZINC000642919383 357770224 /nfs/dbraw/zinc/77/02/24/357770224.db2.gz YQVHLXGCAPKKDN-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)CC[N@@H+]1C ZINC000642918763 357770434 /nfs/dbraw/zinc/77/04/34/357770434.db2.gz AVXSVZUGFFKBNR-ZDUSSCGKSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)CC[N@H+]1C ZINC000642918763 357770438 /nfs/dbraw/zinc/77/04/38/357770438.db2.gz AVXSVZUGFFKBNR-ZDUSSCGKSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000642930463 357771059 /nfs/dbraw/zinc/77/10/59/357771059.db2.gz ZRRLILGUCQLFAS-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000642929589 357771448 /nfs/dbraw/zinc/77/14/48/357771448.db2.gz FNZHQCKUNFKRCK-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000642947279 357772197 /nfs/dbraw/zinc/77/21/97/357772197.db2.gz HALCQUIAGJLEMU-WDEREUQCSA-N 2 1 270.377 -0.704 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000642985815 357775007 /nfs/dbraw/zinc/77/50/07/357775007.db2.gz ANOFOHPFEWGLGM-WOPDTQHZSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@@H](NCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000643472342 357784246 /nfs/dbraw/zinc/78/42/46/357784246.db2.gz YVDKZMAHUGTLII-OLZOCXBDSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000643468761 357784348 /nfs/dbraw/zinc/78/43/48/357784348.db2.gz UHWWUZGXIYTULY-NWDGAFQWSA-N 2 1 275.418 0.000 20 0 CBADMP C[N@H+]1CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000643500301 357785821 /nfs/dbraw/zinc/78/58/21/357785821.db2.gz ABLSHPYCSJADGW-IHRRRGAJSA-N 3 1 280.416 -0.119 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000236844908 283368646 /nfs/dbraw/zinc/36/86/46/283368646.db2.gz BAPADFREQJUPKD-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000516572713 291151611 /nfs/dbraw/zinc/15/16/11/291151611.db2.gz KIQHMVMVXDZPGB-VWYCJHECSA-N 2 1 271.361 -0.182 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419414612 283385241 /nfs/dbraw/zinc/38/52/41/283385241.db2.gz TZSGOHJVYGBSSH-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP CCC[NH2+]CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000417006594 283388018 /nfs/dbraw/zinc/38/80/18/283388018.db2.gz ZYUXKIHUARYTQO-UHFFFAOYSA-N 2 1 299.419 -0.551 20 0 CBADMP C[NH+](C)CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341850750 216124881 /nfs/dbraw/zinc/12/48/81/216124881.db2.gz WKXCDNDMAHMJPW-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342104355 216218566 /nfs/dbraw/zinc/21/85/66/216218566.db2.gz NUISSJIJVXKRPW-SDDRHHMPSA-N 2 1 275.418 -0.015 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342104355 216218567 /nfs/dbraw/zinc/21/85/67/216218567.db2.gz NUISSJIJVXKRPW-SDDRHHMPSA-N 2 1 275.418 -0.015 20 0 CBADMP Cn1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(=O)n(C)c1=O ZINC000179276091 189183060 /nfs/dbraw/zinc/18/30/60/189183060.db2.gz CIUPZJBGBFBNSD-LBPRGKRZSA-N 2 1 294.399 -0.142 20 0 CBADMP Cn1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(=O)n(C)c1=O ZINC000179276091 189183061 /nfs/dbraw/zinc/18/30/61/189183061.db2.gz CIUPZJBGBFBNSD-LBPRGKRZSA-N 2 1 294.399 -0.142 20 0 CBADMP Cn1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(=O)n(C)c1=O ZINC000179276091 189183062 /nfs/dbraw/zinc/18/30/62/189183062.db2.gz CIUPZJBGBFBNSD-LBPRGKRZSA-N 2 1 294.399 -0.142 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)CCC[N@H+]1C ZINC000419563354 291284727 /nfs/dbraw/zinc/28/47/27/291284727.db2.gz WHKHSROFXYBJGC-QWRGUYRKSA-N 2 1 282.388 -0.417 20 0 CBADMP O=C([C@H]1CCC[NH2+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186650831 296107416 /nfs/dbraw/zinc/10/74/16/296107416.db2.gz BVXBPBAMBNZGKT-VXGBXAGGSA-N 2 1 280.372 -0.839 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC[N@@H+](C)C1 ZINC000413891933 284113571 /nfs/dbraw/zinc/11/35/71/284113571.db2.gz HOIWEYHDBVUOGL-UPJWGTAASA-N 2 1 297.399 -0.253 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC[NH+](C)C1 ZINC000413891933 284113572 /nfs/dbraw/zinc/11/35/72/284113572.db2.gz HOIWEYHDBVUOGL-UPJWGTAASA-N 2 1 297.399 -0.253 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC[NH+](C)C1 ZINC000413891933 284113573 /nfs/dbraw/zinc/11/35/73/284113573.db2.gz HOIWEYHDBVUOGL-UPJWGTAASA-N 2 1 297.399 -0.253 20 0 CBADMP C[NH+](C[C@@H](O)CN[C@@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000576583836 335222275 /nfs/dbraw/zinc/22/22/75/335222275.db2.gz FDSLCEYHOFJPKS-HIFRSBDPSA-N 2 1 285.432 -0.122 20 0 CBADMP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CSC[NH2+]1 ZINC000335662788 284125529 /nfs/dbraw/zinc/12/55/29/284125529.db2.gz KBCVPWDAYORRKM-RNFRBKRXSA-N 2 1 251.302 -0.238 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000262036726 296138178 /nfs/dbraw/zinc/13/81/78/296138178.db2.gz SVRMSPQHVSIIBK-CHWSQXEVSA-N 2 1 276.340 -0.457 20 0 CBADMP O=C([C@H]1COCC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000343644065 296138881 /nfs/dbraw/zinc/13/88/81/296138881.db2.gz QEPFFCUYHWTTJH-DGCLKSJQSA-N 2 1 253.346 -0.423 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H]1[NH3+] ZINC000331681930 204070795 /nfs/dbraw/zinc/07/07/95/204070795.db2.gz UBJKOEFZJPXYJL-XQHKEYJVSA-N 2 1 294.399 -0.465 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000331686864 204074224 /nfs/dbraw/zinc/07/42/24/204074224.db2.gz SWUQLNHAXXQXPN-CHWSQXEVSA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000331686864 204074227 /nfs/dbraw/zinc/07/42/27/204074227.db2.gz SWUQLNHAXXQXPN-CHWSQXEVSA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000331686867 204076101 /nfs/dbraw/zinc/07/61/01/204076101.db2.gz SWUQLNHAXXQXPN-STQMWFEESA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000331686867 204076105 /nfs/dbraw/zinc/07/61/05/204076105.db2.gz SWUQLNHAXXQXPN-STQMWFEESA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000331725599 204102152 /nfs/dbraw/zinc/10/21/52/204102152.db2.gz XBHPEQHQRJACIV-FRRDWIJNSA-N 2 1 294.399 -0.402 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC2([NH3+])CCC2)C[C@H]1C ZINC000331948644 204325450 /nfs/dbraw/zinc/32/54/50/204325450.db2.gz ZCHPQACGGGMJSP-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC2([NH3+])CCC2)C[C@H]1C ZINC000331948644 204325452 /nfs/dbraw/zinc/32/54/52/204325452.db2.gz ZCHPQACGGGMJSP-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[NH+]1CCN(CC(=O)NC[C@H]2CC[N@@H+](C)C2)CC1 ZINC000344044049 217026233 /nfs/dbraw/zinc/02/62/33/217026233.db2.gz RPOREIQTFIYIOZ-CYBMUJFWSA-N 2 1 268.405 -0.308 20 0 CBADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)CC1=O ZINC000344048780 217028232 /nfs/dbraw/zinc/02/82/32/217028232.db2.gz NWGZVYKFYGBKJW-CHWSQXEVSA-N 2 1 296.415 -0.536 20 0 CBADMP C[NH2+][C@@H](C(=O)NCCOCC[NH+](C)C)c1cnn(C)c1 ZINC000574397900 335016039 /nfs/dbraw/zinc/01/60/39/335016039.db2.gz IKUKJOPDPZKIQL-GFCCVEGCSA-N 2 1 283.376 -0.625 20 0 CBADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000344280152 217130141 /nfs/dbraw/zinc/13/01/41/217130141.db2.gz IUZWTNHUVVEZEP-OLZOCXBDSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000344280151 217130317 /nfs/dbraw/zinc/13/03/17/217130317.db2.gz IUZWTNHUVVEZEP-CHWSQXEVSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@H]1OCC[NH2+][C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000344471502 217202019 /nfs/dbraw/zinc/20/20/19/217202019.db2.gz JBUXXNLCEZVDBW-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[N@H+](C)CCCNC(=O)[C@@H]1[NH2+]CCO[C@H]1C ZINC000344471078 217202039 /nfs/dbraw/zinc/20/20/39/217202039.db2.gz CPLPZMDUTPUEFY-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1[NH2+]CCO[C@H]1C ZINC000344471078 217202040 /nfs/dbraw/zinc/20/20/40/217202040.db2.gz CPLPZMDUTPUEFY-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000344492239 217209511 /nfs/dbraw/zinc/20/95/11/217209511.db2.gz RVDGPJIOPJWFJT-WCQYABFASA-N 2 1 285.388 -0.674 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000333132208 205056784 /nfs/dbraw/zinc/05/67/84/205056784.db2.gz BWKQDYMDSGSMQF-TZMCWYRMSA-N 2 1 295.431 -0.327 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000333145722 205068032 /nfs/dbraw/zinc/06/80/32/205068032.db2.gz DQKHUQAWLCGRJZ-IHRRRGAJSA-N 2 1 296.415 -0.042 20 0 CBADMP Cc1nccn1CC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000333178722 205095390 /nfs/dbraw/zinc/09/53/90/205095390.db2.gz RTKISKFAGACGQQ-ZDUSSCGKSA-N 2 1 277.328 -0.134 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000353431913 220078493 /nfs/dbraw/zinc/07/84/93/220078493.db2.gz MPDRYNLZZVMBBN-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000353431913 220078496 /nfs/dbraw/zinc/07/84/96/220078496.db2.gz MPDRYNLZZVMBBN-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000353431913 220078498 /nfs/dbraw/zinc/07/84/98/220078498.db2.gz MPDRYNLZZVMBBN-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000353431913 220078501 /nfs/dbraw/zinc/07/85/01/220078501.db2.gz MPDRYNLZZVMBBN-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000353436389 220081460 /nfs/dbraw/zinc/08/14/60/220081460.db2.gz BEZUUWXNSPDSON-DGCLKSJQSA-N 2 1 285.388 -0.328 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353438073 220082315 /nfs/dbraw/zinc/08/23/15/220082315.db2.gz YUWDBRWFLIQKQI-XQQFMLRXSA-N 2 1 287.404 -0.034 20 0 CBADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353441825 220085259 /nfs/dbraw/zinc/08/52/59/220085259.db2.gz QUWURTJYXBPWKS-WDEREUQCSA-N 2 1 284.404 -0.184 20 0 CBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353441825 220085260 /nfs/dbraw/zinc/08/52/60/220085260.db2.gz QUWURTJYXBPWKS-WDEREUQCSA-N 2 1 284.404 -0.184 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000353451057 220091008 /nfs/dbraw/zinc/09/10/08/220091008.db2.gz PIQNYZMCYZFAEQ-GHMZBOCLSA-N 2 1 259.350 -0.955 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]([NH3+])CC(N)=O)C1CCCCC1 ZINC000353474432 220102236 /nfs/dbraw/zinc/10/22/36/220102236.db2.gz VBPNMGDYXXNMRC-LLVKDONJSA-N 2 1 270.377 -0.430 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]([NH3+])CC(N)=O)C1CCCCC1 ZINC000353474432 220102239 /nfs/dbraw/zinc/10/22/39/220102239.db2.gz VBPNMGDYXXNMRC-LLVKDONJSA-N 2 1 270.377 -0.430 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000246504835 372884508 /nfs/dbraw/zinc/88/45/08/372884508.db2.gz QDBSTAVHFJWIQP-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000246504835 372884517 /nfs/dbraw/zinc/88/45/17/372884517.db2.gz QDBSTAVHFJWIQP-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000262508443 372910815 /nfs/dbraw/zinc/91/08/15/372910815.db2.gz JIUZZEGXCLEOPY-ZDUSSCGKSA-N 2 1 298.431 -0.016 20 0 CBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000262508443 372910825 /nfs/dbraw/zinc/91/08/25/372910825.db2.gz JIUZZEGXCLEOPY-ZDUSSCGKSA-N 2 1 298.431 -0.016 20 0 CBADMP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353501762 220119248 /nfs/dbraw/zinc/11/92/48/220119248.db2.gz NGECSCFSPJUVLD-VHSXEESVSA-N 2 1 256.350 -0.963 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353501762 220119251 /nfs/dbraw/zinc/11/92/51/220119251.db2.gz NGECSCFSPJUVLD-VHSXEESVSA-N 2 1 256.350 -0.963 20 0 CBADMP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353501763 220119499 /nfs/dbraw/zinc/11/94/99/220119499.db2.gz NGECSCFSPJUVLD-ZJUUUORDSA-N 2 1 256.350 -0.963 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353501763 220119500 /nfs/dbraw/zinc/11/95/00/220119500.db2.gz NGECSCFSPJUVLD-ZJUUUORDSA-N 2 1 256.350 -0.963 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000333399268 205288674 /nfs/dbraw/zinc/28/86/74/205288674.db2.gz PSXLHODEYUNWFB-VXGBXAGGSA-N 2 1 270.377 -0.242 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)Cn1cc(CN(C)CCC[NH3+])nn1 ZINC000328184066 372972773 /nfs/dbraw/zinc/97/27/73/372972773.db2.gz ODFMTDGOMOXVPC-AWEZNQCLSA-N 2 1 298.435 -0.240 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)[NH2+]1 ZINC000332600823 373006483 /nfs/dbraw/zinc/00/64/83/373006483.db2.gz CWUCYMRHMJKYGK-JHJVBQTASA-N 2 1 294.399 -0.498 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C[N@H+]1C1CC1 ZINC000333365564 373009462 /nfs/dbraw/zinc/00/94/62/373009462.db2.gz LSWWUOQHRWOJFD-NWDGAFQWSA-N 2 1 294.399 -0.005 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333476700 205354768 /nfs/dbraw/zinc/35/47/68/205354768.db2.gz BMRZUIUFYXPGLZ-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333476700 205354770 /nfs/dbraw/zinc/35/47/70/205354770.db2.gz BMRZUIUFYXPGLZ-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)C[C@@H]1C ZINC000333841918 373012516 /nfs/dbraw/zinc/01/25/16/373012516.db2.gz OJUBEIFWJLBTFA-AVGNSLFASA-N 2 1 284.404 -0.165 20 0 CBADMP CN(C(=O)NC[C@@H]1CCC[N@H+]1C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333947677 373012647 /nfs/dbraw/zinc/01/26/47/373012647.db2.gz VTBUKQHCOAKDML-DCAQKATOSA-N 2 1 256.350 -0.945 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333933179 373014492 /nfs/dbraw/zinc/01/44/92/373014492.db2.gz HLMQVDRPMIDCTD-ZIAGYGMSSA-N 2 1 295.431 -0.230 20 0 CBADMP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CSC[NH2+]1 ZINC000335662787 373019566 /nfs/dbraw/zinc/01/95/66/373019566.db2.gz KBCVPWDAYORRKM-NKWVEPMBSA-N 2 1 251.302 -0.238 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343310228 373049438 /nfs/dbraw/zinc/04/94/38/373049438.db2.gz MXKUVCCCJCMOBG-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CN(C)C(=O)CC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000343632478 373055087 /nfs/dbraw/zinc/05/50/87/373055087.db2.gz ANSBGGHMMIWRGO-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000353538626 220144103 /nfs/dbraw/zinc/14/41/03/220144103.db2.gz XTSHZHQMVJFYTA-FRRDWIJNSA-N 2 1 296.415 -0.170 20 0 CBADMP CN1CCO[C@H](CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000333518328 205396573 /nfs/dbraw/zinc/39/65/73/205396573.db2.gz GJBSHGYOGWRDFV-YPMHNXCESA-N 2 1 288.367 -0.340 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000351851296 373099141 /nfs/dbraw/zinc/09/91/41/373099141.db2.gz LHZJBARXDWJEAM-MBNYWOFBSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000347187521 373071685 /nfs/dbraw/zinc/07/16/85/373071685.db2.gz CDXJGFKPWGCDRM-GHMZBOCLSA-N 2 1 280.372 -0.357 20 0 CBADMP [NH3+]CC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000347464411 373073038 /nfs/dbraw/zinc/07/30/38/373073038.db2.gz BKKMWKYNWKWJKR-UHFFFAOYSA-N 2 1 278.360 -0.936 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)CCC[N@H+]1C ZINC000347799532 373073206 /nfs/dbraw/zinc/07/32/06/373073206.db2.gz ZMQZNFKKIQWYMJ-UPJWGTAASA-N 2 1 296.415 -0.252 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360552917 373207918 /nfs/dbraw/zinc/20/79/18/373207918.db2.gz PVRUEFPZEWEKIO-LLVKDONJSA-N 2 1 261.391 -0.389 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360552917 373207923 /nfs/dbraw/zinc/20/79/23/373207923.db2.gz PVRUEFPZEWEKIO-LLVKDONJSA-N 2 1 261.391 -0.389 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000353585586 220173301 /nfs/dbraw/zinc/17/33/01/220173301.db2.gz ATVLGOJNTHFBJN-MNOVXSKESA-N 2 1 270.377 -0.574 20 0 CBADMP CNC(=O)C[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000361106216 373264529 /nfs/dbraw/zinc/26/45/29/373264529.db2.gz DXGNYSXWXVSWEK-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000362388239 373398738 /nfs/dbraw/zinc/39/87/38/373398738.db2.gz FVBXYCUYRCTSFR-KGLIPLIRSA-N 2 1 282.432 -0.110 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000362388238 373400185 /nfs/dbraw/zinc/40/01/85/373400185.db2.gz FVBXYCUYRCTSFR-KBPBESRZSA-N 2 1 282.432 -0.110 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000362883393 373458884 /nfs/dbraw/zinc/45/88/84/373458884.db2.gz QZLZFOMUPXAISL-VOAKCMCISA-N 2 1 267.373 -0.275 20 0 CBADMP CC(C)([NH3+])CN1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362662037 373433123 /nfs/dbraw/zinc/43/31/23/373433123.db2.gz GVKDCJYGJWANCG-NSHDSACASA-N 2 1 254.378 -0.380 20 0 CBADMP CCN1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1=O ZINC000391608057 373580872 /nfs/dbraw/zinc/58/08/72/373580872.db2.gz VPPUVARYCWTROP-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)C(C)C ZINC000398552860 373584178 /nfs/dbraw/zinc/58/41/78/373584178.db2.gz OLMMBYWUJUNMNE-CHWSQXEVSA-N 2 1 262.394 -0.078 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)C(C)C ZINC000398552860 373584191 /nfs/dbraw/zinc/58/41/91/373584191.db2.gz OLMMBYWUJUNMNE-CHWSQXEVSA-N 2 1 262.394 -0.078 20 0 CBADMP C[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000370779509 373552894 /nfs/dbraw/zinc/55/28/94/373552894.db2.gz KQRYZEAIPKNVEQ-AAEUAGOBSA-N 2 1 273.352 -0.228 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C[NH2+]CC1CC1 ZINC000375058856 373563933 /nfs/dbraw/zinc/56/39/33/373563933.db2.gz LXRVZIWRNWRTAU-GFCCVEGCSA-N 2 1 277.372 -0.107 20 0 CBADMP C[C@@H]1CC(=O)NCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000376685359 373571578 /nfs/dbraw/zinc/57/15/78/373571578.db2.gz ADWQAFMXSXUUKS-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP C[C@@H]1CC(=O)NCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000376685359 373571587 /nfs/dbraw/zinc/57/15/87/373571587.db2.gz ADWQAFMXSXUUKS-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC[N@@H+](C)C1 ZINC000413891935 373622466 /nfs/dbraw/zinc/62/24/66/373622466.db2.gz HOIWEYHDBVUOGL-YNEHKIRRSA-N 2 1 297.399 -0.253 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC[NH+](C)C1 ZINC000413891935 373622471 /nfs/dbraw/zinc/62/24/71/373622471.db2.gz HOIWEYHDBVUOGL-YNEHKIRRSA-N 2 1 297.399 -0.253 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC[NH+](C)C1 ZINC000413891935 373622479 /nfs/dbraw/zinc/62/24/79/373622479.db2.gz HOIWEYHDBVUOGL-YNEHKIRRSA-N 2 1 297.399 -0.253 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417441395 373627733 /nfs/dbraw/zinc/62/77/33/373627733.db2.gz PXIBOXLCSOWGMD-SECBINFHSA-N 2 1 282.335 -0.154 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417277074 373628127 /nfs/dbraw/zinc/62/81/27/373628127.db2.gz GECGQSVVEFFAAL-GRYCIOLGSA-N 2 1 252.362 -0.059 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417439997 373628212 /nfs/dbraw/zinc/62/82/12/373628212.db2.gz NHENESGDAQYCGW-QWHCGFSZSA-N 2 1 284.404 -0.042 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000417442170 373628471 /nfs/dbraw/zinc/62/84/71/373628471.db2.gz SPKYERWKECOAFD-NEPJUHHUSA-N 2 1 272.393 -0.138 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000417448050 373628977 /nfs/dbraw/zinc/62/89/77/373628977.db2.gz SRYCLNCTKPQHTF-NEPJUHHUSA-N 2 1 272.393 -0.044 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417095904 373629047 /nfs/dbraw/zinc/62/90/47/373629047.db2.gz UYLUQMRRBMWKID-NSHDSACASA-N 2 1 258.366 -0.384 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417443367 373629935 /nfs/dbraw/zinc/62/99/35/373629935.db2.gz YBFZQYFTHCHRDF-UHFFFAOYSA-N 2 1 272.393 -0.042 20 0 CBADMP C[C@@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[C@H](C)[NH3+] ZINC000418708949 373633226 /nfs/dbraw/zinc/63/32/26/373633226.db2.gz UOJLMFFCZNIFSH-WHOHXGKFSA-N 2 1 272.393 -0.181 20 0 CBADMP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000418699116 373633510 /nfs/dbraw/zinc/63/35/10/373633510.db2.gz NSWWBSQLXWVKON-SDDRHHMPSA-N 2 1 272.393 -0.132 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419111655 373635714 /nfs/dbraw/zinc/63/57/14/373635714.db2.gz UGYDVRXLCSHCMT-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419144915 373635932 /nfs/dbraw/zinc/63/59/32/373635932.db2.gz HBHXSOYONVZTNY-MRVPVSSYSA-N 2 1 280.319 -0.847 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000419520683 373639321 /nfs/dbraw/zinc/63/93/21/373639321.db2.gz IORKLVWZRAQKOW-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419879655 373643657 /nfs/dbraw/zinc/64/36/57/373643657.db2.gz ZPLZOWVPIKFKIH-CHWSQXEVSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419879655 373643664 /nfs/dbraw/zinc/64/36/64/373643664.db2.gz ZPLZOWVPIKFKIH-CHWSQXEVSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)CC[NH3+])C[C@@H]1C ZINC000420011482 373647217 /nfs/dbraw/zinc/64/72/17/373647217.db2.gz YXAFSFAJXDOMSM-SRVKXCTJSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)CC[NH3+])C[C@@H]1C ZINC000420011482 373647218 /nfs/dbraw/zinc/64/72/18/373647218.db2.gz YXAFSFAJXDOMSM-SRVKXCTJSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)CC[N@@H+]1C ZINC000420084655 373647841 /nfs/dbraw/zinc/64/78/41/373647841.db2.gz AFWOXIPDPRPXTB-LBPRGKRZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)CC[N@H+]1C ZINC000420084655 373647848 /nfs/dbraw/zinc/64/78/48/373647848.db2.gz AFWOXIPDPRPXTB-LBPRGKRZSA-N 2 1 296.415 -0.217 20 0 CBADMP COC[C@]1(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000423404678 373658664 /nfs/dbraw/zinc/65/86/64/373658664.db2.gz XNZHJNOWVSRMKD-ZFWWWQNUSA-N 2 1 299.415 -0.303 20 0 CBADMP C[C@@H]1C[C@@H](C)[N@H+](CCNS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000422635213 373652783 /nfs/dbraw/zinc/65/27/83/373652783.db2.gz LDHBOOYKNSTNKB-MXWKQRLJSA-N 2 1 263.407 -0.159 20 0 CBADMP C[C@@H]1C[C@@H](C)[N@@H+](CCNS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000422635213 373652796 /nfs/dbraw/zinc/65/27/96/373652796.db2.gz LDHBOOYKNSTNKB-MXWKQRLJSA-N 2 1 263.407 -0.159 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH3+])C[C@H]1C ZINC000423365375 373655060 /nfs/dbraw/zinc/65/50/60/373655060.db2.gz BDNCPKKAPWSDCT-GHMZBOCLSA-N 2 1 270.377 -0.655 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH3+])C[C@H]1C ZINC000423365375 373655067 /nfs/dbraw/zinc/65/50/67/373655067.db2.gz BDNCPKKAPWSDCT-GHMZBOCLSA-N 2 1 270.377 -0.655 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH3+])C[C@@H]1C ZINC000423365379 373655796 /nfs/dbraw/zinc/65/57/96/373655796.db2.gz BDNCPKKAPWSDCT-QWRGUYRKSA-N 2 1 270.377 -0.655 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH3+])C[C@@H]1C ZINC000423365379 373655803 /nfs/dbraw/zinc/65/58/03/373655803.db2.gz BDNCPKKAPWSDCT-QWRGUYRKSA-N 2 1 270.377 -0.655 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CC[N@@H+]1C ZINC000423645663 373660947 /nfs/dbraw/zinc/66/09/47/373660947.db2.gz LALRPCJTYPAYBQ-QWHCGFSZSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CC[N@H+]1C ZINC000423645663 373660955 /nfs/dbraw/zinc/66/09/55/373660955.db2.gz LALRPCJTYPAYBQ-QWHCGFSZSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000423975616 373662923 /nfs/dbraw/zinc/66/29/23/373662923.db2.gz LTQUNSVZWSJGFT-UTUOFQBUSA-N 2 1 255.362 -0.099 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000423975616 373662933 /nfs/dbraw/zinc/66/29/33/373662933.db2.gz LTQUNSVZWSJGFT-UTUOFQBUSA-N 2 1 255.362 -0.099 20 0 CBADMP C[C@H](CNC(=O)Cn1ccnc1)CN1CC[NH+](C)CC1 ZINC000515024674 373772970 /nfs/dbraw/zinc/77/29/70/373772970.db2.gz OCKVVZUYLUAFPP-CYBMUJFWSA-N 2 1 279.388 -0.117 20 0 CBADMP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C(=O)N(C)C ZINC000514727310 373762976 /nfs/dbraw/zinc/76/29/76/373762976.db2.gz SONHZIHYCUEVKT-RWMBFGLXSA-N 2 1 296.415 -0.489 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000514859673 373767549 /nfs/dbraw/zinc/76/75/49/373767549.db2.gz FIEDMPCGDKYNKC-LBPRGKRZSA-N 2 1 285.388 -0.408 20 0 CBADMP COC[C@@]1(CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000516293526 373809518 /nfs/dbraw/zinc/80/95/18/373809518.db2.gz IVVFZBRSTXRFHV-HIFRSBDPSA-N 2 1 298.431 -0.493 20 0 CBADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000516555207 373815542 /nfs/dbraw/zinc/81/55/42/373815542.db2.gz JPJYAOLKUDCEHO-CYBMUJFWSA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH2+]C[C@@](C)(O)CN(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000516657427 373820140 /nfs/dbraw/zinc/82/01/40/373820140.db2.gz YUMTVABALBIHRE-HZSPNIEDSA-N 2 1 273.421 -0.002 20 0 CBADMP C[NH2+]C[C@@](C)(O)CN(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000516657427 373820145 /nfs/dbraw/zinc/82/01/45/373820145.db2.gz YUMTVABALBIHRE-HZSPNIEDSA-N 2 1 273.421 -0.002 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000516657427 373820151 /nfs/dbraw/zinc/82/01/51/373820151.db2.gz YUMTVABALBIHRE-HZSPNIEDSA-N 2 1 273.421 -0.002 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000516657427 373820158 /nfs/dbraw/zinc/82/01/58/373820158.db2.gz YUMTVABALBIHRE-HZSPNIEDSA-N 2 1 273.421 -0.002 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000515350544 373783683 /nfs/dbraw/zinc/78/36/83/373783683.db2.gz WYRRMPDFGBWSLM-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000515350543 373783733 /nfs/dbraw/zinc/78/37/33/373783733.db2.gz WYRRMPDFGBWSLM-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@@H]1[NH3+] ZINC000515346294 373783981 /nfs/dbraw/zinc/78/39/81/373783981.db2.gz BDCGGWVTSXHPIP-YPMHNXCESA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000515380720 373786754 /nfs/dbraw/zinc/78/67/54/373786754.db2.gz FOHUDEQIDIRALM-CMPLNLGQSA-N 2 1 292.387 -0.161 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000515465199 373788502 /nfs/dbraw/zinc/78/85/02/373788502.db2.gz FWZSFPLMIILREE-GFCCVEGCSA-N 2 1 294.399 -0.449 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000516025443 373800603 /nfs/dbraw/zinc/80/06/03/373800603.db2.gz FALHNJDEQQLKSX-CQSZACIVSA-N 2 1 295.431 -0.077 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000516025436 373800695 /nfs/dbraw/zinc/80/06/95/373800695.db2.gz FALHNJDEQQLKSX-AWEZNQCLSA-N 2 1 295.431 -0.077 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000521998599 373856639 /nfs/dbraw/zinc/85/66/39/373856639.db2.gz YWUPNOMXXFVGEG-OLZOCXBDSA-N 2 1 296.415 -0.183 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000527252923 373909636 /nfs/dbraw/zinc/90/96/36/373909636.db2.gz CKHSINFDUVIDIL-AVGNSLFASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000527252923 373909645 /nfs/dbraw/zinc/90/96/45/373909645.db2.gz CKHSINFDUVIDIL-AVGNSLFASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@@H](C)C1 ZINC000527252923 373909654 /nfs/dbraw/zinc/90/96/54/373909654.db2.gz CKHSINFDUVIDIL-AVGNSLFASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](C)C1 ZINC000527252923 373909662 /nfs/dbraw/zinc/90/96/62/373909662.db2.gz CKHSINFDUVIDIL-AVGNSLFASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529384648 374023606 /nfs/dbraw/zinc/02/36/06/374023606.db2.gz DQMHVKIGBUVXOL-CMPLNLGQSA-N 2 1 274.340 -0.682 20 0 CBADMP CC[NH+]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529371958 374012249 /nfs/dbraw/zinc/01/22/49/374012249.db2.gz HROMAWOYYLSPFZ-NSHDSACASA-N 2 1 256.350 -0.678 20 0 CBADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353670121 220244076 /nfs/dbraw/zinc/24/40/76/220244076.db2.gz YLDXZXKNZYWLNP-QWRGUYRKSA-N 2 1 270.377 -0.430 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353670121 220244079 /nfs/dbraw/zinc/24/40/79/220244079.db2.gz YLDXZXKNZYWLNP-QWRGUYRKSA-N 2 1 270.377 -0.430 20 0 CBADMP C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)C[C@H](C)[N@@H+]1C ZINC000529383069 374021986 /nfs/dbraw/zinc/02/19/86/374021986.db2.gz FCMYELRLAUIAME-TUAOUCFPSA-N 2 1 270.377 -0.291 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000529384320 374022049 /nfs/dbraw/zinc/02/20/49/374022049.db2.gz AQOOVNWBBAYJHT-OLZOCXBDSA-N 2 1 278.356 -0.141 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000529384320 374022052 /nfs/dbraw/zinc/02/20/52/374022052.db2.gz AQOOVNWBBAYJHT-OLZOCXBDSA-N 2 1 278.356 -0.141 20 0 CBADMP CNC(=O)NC[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000530231624 374069998 /nfs/dbraw/zinc/06/99/98/374069998.db2.gz SAEULGGORZCAEA-RYUDHWBXSA-N 2 1 270.377 -0.384 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000531054010 374115459 /nfs/dbraw/zinc/11/54/59/374115459.db2.gz MMORZXUXUXZYPC-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000531054010 374115463 /nfs/dbraw/zinc/11/54/63/374115463.db2.gz MMORZXUXUXZYPC-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000531054010 374115466 /nfs/dbraw/zinc/11/54/66/374115466.db2.gz MMORZXUXUXZYPC-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000531054010 374115469 /nfs/dbraw/zinc/11/54/69/374115469.db2.gz MMORZXUXUXZYPC-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000551937348 374252026 /nfs/dbraw/zinc/25/20/26/374252026.db2.gz KNGNICHTYVVQES-ZDUSSCGKSA-N 2 1 266.389 -0.460 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000551937348 374252032 /nfs/dbraw/zinc/25/20/32/374252032.db2.gz KNGNICHTYVVQES-ZDUSSCGKSA-N 2 1 266.389 -0.460 20 0 CBADMP CC[N@@H+](CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)C1CC1 ZINC000552082389 374262433 /nfs/dbraw/zinc/26/24/33/374262433.db2.gz QTDYEKGXSVPISN-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C1CC1 ZINC000552436117 374269118 /nfs/dbraw/zinc/26/91/18/374269118.db2.gz NNRDCFYIPIVXQU-RYUDHWBXSA-N 2 1 255.362 -0.396 20 0 CBADMP C[C@H](CN1CCN(C)CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000551842991 374246771 /nfs/dbraw/zinc/24/67/71/374246771.db2.gz RWJFNVNENFTGJW-OLZOCXBDSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@H](CN1CCN(C)CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000551842991 374246778 /nfs/dbraw/zinc/24/67/78/374246778.db2.gz RWJFNVNENFTGJW-OLZOCXBDSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H]1CCNC(=O)[C@@H]1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000554946414 374284801 /nfs/dbraw/zinc/28/48/01/374284801.db2.gz JDWJDBGZQYKUKM-ADEWGFFLSA-N 2 1 255.362 -0.444 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CCC[C@H](N2CCNC2=O)C1)C1CC1 ZINC000583840982 374369182 /nfs/dbraw/zinc/36/91/82/374369182.db2.gz WYBNAMFHINRQFV-KBPBESRZSA-N 2 1 296.415 -0.069 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000584455720 374373129 /nfs/dbraw/zinc/37/31/29/374373129.db2.gz XAMUKQUQVQHRTD-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000644129659 374490244 /nfs/dbraw/zinc/49/02/44/374490244.db2.gz BOBTVDYYYYSUFV-WDEREUQCSA-N 2 1 277.372 -0.109 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCCNC1=O)C1CC1 ZINC000644555024 374593065 /nfs/dbraw/zinc/59/30/65/374593065.db2.gz AOPWOGNGTMYCTQ-ZYHUDNBSSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCCNC1=O)C1CC1 ZINC000644555024 374593074 /nfs/dbraw/zinc/59/30/74/374593074.db2.gz AOPWOGNGTMYCTQ-ZYHUDNBSSA-N 2 1 255.362 -0.443 20 0 CBADMP CC[C@@H](O)C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000644569609 374597034 /nfs/dbraw/zinc/59/70/34/374597034.db2.gz DMUXHAMLEZNJJK-UONOGXRCSA-N 2 1 271.405 -0.247 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C1CC(NS(C)(=O)=O)C1)C1CC1 ZINC000644640865 374604295 /nfs/dbraw/zinc/60/42/95/374604295.db2.gz DKGRZPPHSOTAPU-RTYFJBAXSA-N 2 1 291.417 -0.889 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C1CC(NS(C)(=O)=O)C1)C1CC1 ZINC000644640865 374604299 /nfs/dbraw/zinc/60/42/99/374604299.db2.gz DKGRZPPHSOTAPU-RTYFJBAXSA-N 2 1 291.417 -0.889 20 0 CBADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000645131568 374644915 /nfs/dbraw/zinc/64/49/15/374644915.db2.gz VVMSMYAHVOHOOU-AWEZNQCLSA-N 2 1 290.367 -0.423 20 0 CBADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000645136455 374644966 /nfs/dbraw/zinc/64/49/66/374644966.db2.gz HOKGDUCZTZCJSH-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000645685303 374692662 /nfs/dbraw/zinc/69/26/62/374692662.db2.gz ZURFHVIVXYPSCH-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000645684668 374693104 /nfs/dbraw/zinc/69/31/04/374693104.db2.gz DGWFTLKNJORMQV-QWRGUYRKSA-N 2 1 268.361 -0.935 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000645685211 374693155 /nfs/dbraw/zinc/69/31/55/374693155.db2.gz VKPWEEUGIWVFRY-VXGBXAGGSA-N 2 1 292.387 -0.146 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CC(C)(C)[NH3+] ZINC000645947085 374716528 /nfs/dbraw/zinc/71/65/28/374716528.db2.gz KVIJBOADBAYPOJ-NSHDSACASA-N 2 1 256.394 -0.134 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)COCC[NH3+])CC1 ZINC000645950419 374716804 /nfs/dbraw/zinc/71/68/04/374716804.db2.gz PGHZDJBMUBKLIP-CQSZACIVSA-N 2 1 298.431 -0.410 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000645951640 374717111 /nfs/dbraw/zinc/71/71/11/374717111.db2.gz SATMMSDEGDRZQE-GRYCIOLGSA-N 2 1 255.362 -0.179 20 0 CBADMP COCC[NH2+]CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953170 374717270 /nfs/dbraw/zinc/71/72/70/374717270.db2.gz FXHCSLWYIOQKER-LBPRGKRZSA-N 2 1 255.362 -0.177 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953369 374718110 /nfs/dbraw/zinc/71/81/10/374718110.db2.gz RCXNFJCNHDCNME-STQMWFEESA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1C[NH2+]CCO1 ZINC000645953476 374718909 /nfs/dbraw/zinc/71/89/09/374718909.db2.gz VIDOIRZVMXNUDN-NWDGAFQWSA-N 2 1 253.346 -0.425 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000645978123 374720895 /nfs/dbraw/zinc/72/08/95/374720895.db2.gz SNOMYCKMLFPCEN-RYUDHWBXSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645978123 374720899 /nfs/dbraw/zinc/72/08/99/374720899.db2.gz SNOMYCKMLFPCEN-RYUDHWBXSA-N 2 1 268.405 -0.134 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645966021 374721053 /nfs/dbraw/zinc/72/10/53/374721053.db2.gz OPFMSACKBUKNDF-GHMZBOCLSA-N 2 1 254.378 -0.654 20 0 CBADMP C[NH2+]CCC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000645977495 374721100 /nfs/dbraw/zinc/72/11/00/374721100.db2.gz CYUQIMADFFRENG-LBPRGKRZSA-N 2 1 268.405 -0.119 20 0 CBADMP C[NH2+]CCC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645977495 374721104 /nfs/dbraw/zinc/72/11/04/374721104.db2.gz CYUQIMADFFRENG-LBPRGKRZSA-N 2 1 268.405 -0.119 20 0 CBADMP COC[C@@]1(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[NH2+]C1 ZINC000645983964 374722515 /nfs/dbraw/zinc/72/25/15/374722515.db2.gz UQYIVQNTZVBVNH-CQSZACIVSA-N 2 1 295.387 -0.272 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000646003214 374724671 /nfs/dbraw/zinc/72/46/71/374724671.db2.gz WMWYLRVVLIOESH-ZIAGYGMSSA-N 2 1 298.431 -0.411 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000646003034 374724754 /nfs/dbraw/zinc/72/47/54/374724754.db2.gz OGFIVRHDPYCLJQ-VXGBXAGGSA-N 2 1 254.378 -0.428 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009373 374726255 /nfs/dbraw/zinc/72/62/55/374726255.db2.gz FSHFTHSETODBAM-UONOGXRCSA-N 2 1 298.431 -0.635 20 0 CBADMP O=C(C[NH2+]C1CC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009451 374726547 /nfs/dbraw/zinc/72/65/47/374726547.db2.gz KXJHKNWBGKPWMF-AWEZNQCLSA-N 2 1 296.415 -0.739 20 0 CBADMP C[NH2+]CCCC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009598 374726782 /nfs/dbraw/zinc/72/67/82/374726782.db2.gz WQRUNUGQXKNPIL-AWEZNQCLSA-N 2 1 298.431 -0.491 20 0 CBADMP C[NH+]1CCC2(CC1)C[N@@H+](CCOCCO)CCO2 ZINC000646104518 374740934 /nfs/dbraw/zinc/74/09/34/374740934.db2.gz OXJAOJHMOVNCLQ-UHFFFAOYSA-N 2 1 258.362 -0.208 20 0 CBADMP C[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)CN1CC[NH+](C)CC1 ZINC000646108718 374741167 /nfs/dbraw/zinc/74/11/67/374741167.db2.gz XGYMUPKKOYOXOH-CHWSQXEVSA-N 2 1 282.432 -0.016 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000646853512 374828748 /nfs/dbraw/zinc/82/87/48/374828748.db2.gz HMNZEKLRFQEJLD-SRVKXCTJSA-N 2 1 271.361 -0.718 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000646853512 374828751 /nfs/dbraw/zinc/82/87/51/374828751.db2.gz HMNZEKLRFQEJLD-SRVKXCTJSA-N 2 1 271.361 -0.718 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000646853513 374828775 /nfs/dbraw/zinc/82/87/75/374828775.db2.gz HMNZEKLRFQEJLD-TUAOUCFPSA-N 2 1 271.361 -0.718 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000646853513 374828783 /nfs/dbraw/zinc/82/87/83/374828783.db2.gz HMNZEKLRFQEJLD-TUAOUCFPSA-N 2 1 271.361 -0.718 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC000646297698 374767501 /nfs/dbraw/zinc/76/75/01/374767501.db2.gz ZLDXBPAYSJFYPM-UTUOFQBUSA-N 2 1 253.346 -0.473 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000646363863 374774009 /nfs/dbraw/zinc/77/40/09/374774009.db2.gz DYXGYYXBQKVFLF-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000647080818 374881238 /nfs/dbraw/zinc/88/12/38/374881238.db2.gz PZNMUHKEOXBVED-QWHCGFSZSA-N 2 1 268.405 -0.119 20 0 CBADMP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000646975051 374854938 /nfs/dbraw/zinc/85/49/38/374854938.db2.gz WLXASAOCMONBNH-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CCC[NH2+]2)n1C ZINC000261717959 190042795 /nfs/dbraw/zinc/04/27/95/190042795.db2.gz NFCWWBOCOWXPAI-JTQLQIEISA-N 2 1 251.334 -0.146 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000261776250 190044059 /nfs/dbraw/zinc/04/40/59/190044059.db2.gz PDEXZNZWBPGXEZ-LBPRGKRZSA-N 2 1 281.360 -0.593 20 0 CBADMP CN[C@@H](C(=O)NCC[N@@H+](C)CCOC)c1cnn(C)c1 ZINC000262466454 190055699 /nfs/dbraw/zinc/05/56/99/190055699.db2.gz XWYGWYSTEIBLHV-GFCCVEGCSA-N 2 1 283.376 -0.625 20 0 CBADMP C[NH2+][C@@H](C(=O)NCC[N@H+](C)CCOC)c1cnn(C)c1 ZINC000262466454 190055700 /nfs/dbraw/zinc/05/57/00/190055700.db2.gz XWYGWYSTEIBLHV-GFCCVEGCSA-N 2 1 283.376 -0.625 20 0 CBADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000356873177 248296827 /nfs/dbraw/zinc/29/68/27/248296827.db2.gz GHTXGUMVGPGQHQ-MCIONIFRSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000356873177 248296831 /nfs/dbraw/zinc/29/68/31/248296831.db2.gz GHTXGUMVGPGQHQ-MCIONIFRSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000356873177 248296835 /nfs/dbraw/zinc/29/68/35/248296835.db2.gz GHTXGUMVGPGQHQ-MCIONIFRSA-N 2 1 280.416 -0.073 20 0 CBADMP CCC[N@H+](CCOCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000357028850 248310385 /nfs/dbraw/zinc/31/03/85/248310385.db2.gz NAKODSUNJBTCOP-LLVKDONJSA-N 2 1 264.391 -0.139 20 0 CBADMP CCC[N@@H+](CCOCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000357028850 248310389 /nfs/dbraw/zinc/31/03/89/248310389.db2.gz NAKODSUNJBTCOP-LLVKDONJSA-N 2 1 264.391 -0.139 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000357078218 248319293 /nfs/dbraw/zinc/31/92/93/248319293.db2.gz BXIMSIRVVAGFNR-LBPRGKRZSA-N 2 1 253.350 -0.035 20 0 CBADMP CC[N@H+](CCOCC[NH3+])[C@@H](C)CS(C)(=O)=O ZINC000357076914 248319445 /nfs/dbraw/zinc/31/94/45/248319445.db2.gz PUFVFEIFAOPHBU-JTQLQIEISA-N 2 1 252.380 -0.283 20 0 CBADMP CC[N@@H+](CCOCC[NH3+])[C@@H](C)CS(C)(=O)=O ZINC000357076914 248319448 /nfs/dbraw/zinc/31/94/48/248319448.db2.gz PUFVFEIFAOPHBU-JTQLQIEISA-N 2 1 252.380 -0.283 20 0 CBADMP CC[C@@H]1CN(CCOCC[NH3+])CC[N@H+]1C[C@H](C)O ZINC000357077968 248320070 /nfs/dbraw/zinc/32/00/70/248320070.db2.gz JOPUVZVYDIVBGN-QWHCGFSZSA-N 2 1 259.394 -0.261 20 0 CBADMP CC[C@@H]1C[N@H+](CCOCC[NH3+])CCN1C[C@H](C)O ZINC000357077968 248320074 /nfs/dbraw/zinc/32/00/74/248320074.db2.gz JOPUVZVYDIVBGN-QWHCGFSZSA-N 2 1 259.394 -0.261 20 0 CBADMP CC[C@@H]1C[N@@H+](CCOCC[NH3+])CCN1C[C@H](C)O ZINC000357077968 248320078 /nfs/dbraw/zinc/32/00/78/248320078.db2.gz JOPUVZVYDIVBGN-QWHCGFSZSA-N 2 1 259.394 -0.261 20 0 CBADMP CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362650114 248674333 /nfs/dbraw/zinc/67/43/33/248674333.db2.gz SWFOMOZYHPBRRG-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP COCC(COC)[NH+]1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000493848106 248905257 /nfs/dbraw/zinc/90/52/57/248905257.db2.gz QFEXXGISFOFRSZ-AATRIKPKSA-N 2 1 299.415 -0.090 20 0 CBADMP CC(C)([NH3+])C[NH+]1CCC(C(=O)NCCCO)CC1 ZINC000346819463 218023050 /nfs/dbraw/zinc/02/30/50/218023050.db2.gz GZNASDRNYMWFTP-UHFFFAOYSA-N 2 1 257.378 -0.066 20 0 CBADMP OCC[N@H+](CCN1CCOCC1)C[C@@H]1CCC[NH2+]C1 ZINC000346847444 218034912 /nfs/dbraw/zinc/03/49/12/218034912.db2.gz MNOZIRQQGXZRIA-CQSZACIVSA-N 2 1 271.405 -0.388 20 0 CBADMP OCC[N@@H+](CCN1CCOCC1)C[C@@H]1CCC[NH2+]C1 ZINC000346847444 218034913 /nfs/dbraw/zinc/03/49/13/218034913.db2.gz MNOZIRQQGXZRIA-CQSZACIVSA-N 2 1 271.405 -0.388 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000347032162 218098140 /nfs/dbraw/zinc/09/81/40/218098140.db2.gz YYYORZLXQBEGGR-JTQLQIEISA-N 2 1 251.334 -0.303 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000347032162 218098141 /nfs/dbraw/zinc/09/81/41/218098141.db2.gz YYYORZLXQBEGGR-JTQLQIEISA-N 2 1 251.334 -0.303 20 0 CBADMP Cn1nncc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347164946 218142663 /nfs/dbraw/zinc/14/26/63/218142663.db2.gz JKIUGFKZKDVEJO-GFCCVEGCSA-N 2 1 292.387 -0.541 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(C)(C)[NH3+])CC1 ZINC000347478279 218249163 /nfs/dbraw/zinc/24/91/63/218249163.db2.gz QVKBLONRUHMQSZ-UHFFFAOYSA-N 2 1 284.404 -0.170 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000347642544 218302375 /nfs/dbraw/zinc/30/23/75/218302375.db2.gz AVQGHWBJLQZRQO-GFCCVEGCSA-N 2 1 282.388 -0.558 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000347663262 218311275 /nfs/dbraw/zinc/31/12/75/218311275.db2.gz GNSPRDWBLQFBGW-LLVKDONJSA-N 2 1 270.377 -0.845 20 0 CBADMP C[N@H+]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000347660466 218312157 /nfs/dbraw/zinc/31/21/57/218312157.db2.gz WKPKQLPCLPNFKT-NSHDSACASA-N 2 1 268.361 -0.981 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000153842643 207381322 /nfs/dbraw/zinc/38/13/22/207381322.db2.gz ZJMRXPFHVWYDTP-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000153842643 207381327 /nfs/dbraw/zinc/38/13/27/207381327.db2.gz ZJMRXPFHVWYDTP-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1C ZINC000168028330 207399216 /nfs/dbraw/zinc/39/92/16/207399216.db2.gz BYQQQCIYBXTMNY-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000574787312 335047310 /nfs/dbraw/zinc/04/73/10/335047310.db2.gz UPTQXQCAINCLRW-CYBMUJFWSA-N 2 1 281.404 -0.549 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000419402622 207686762 /nfs/dbraw/zinc/68/67/62/207686762.db2.gz CMNXLWIORACLBA-GFCCVEGCSA-N 2 1 296.415 -0.168 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419521549 207697505 /nfs/dbraw/zinc/69/75/05/207697505.db2.gz KDYTWPXTXIAZSM-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C1CC1 ZINC000419524537 207700209 /nfs/dbraw/zinc/70/02/09/207700209.db2.gz QAOYJGHSBMGGLQ-GFCCVEGCSA-N 2 1 282.388 -0.560 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH3+] ZINC000417567433 285024549 /nfs/dbraw/zinc/02/45/49/285024549.db2.gz NNUVYHRGZBXABY-WDEREUQCSA-N 2 1 258.366 -0.256 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419524911 207701176 /nfs/dbraw/zinc/70/11/76/207701176.db2.gz QOOUDQLKLBAORZ-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000167263505 285025729 /nfs/dbraw/zinc/02/57/29/285025729.db2.gz GLBYHYRVGNYARK-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C1CCCC1 ZINC000419692181 207721381 /nfs/dbraw/zinc/72/13/81/207721381.db2.gz GFVXGGMVUQZKPR-ZDUSSCGKSA-N 2 1 296.415 -0.170 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000376719510 285026917 /nfs/dbraw/zinc/02/69/17/285026917.db2.gz DFLISQZFGPZJDP-DGCLKSJQSA-N 2 1 273.352 -0.085 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000515618939 285033448 /nfs/dbraw/zinc/03/34/48/285033448.db2.gz AAFXDRCDURVJGJ-NEPJUHHUSA-N 2 1 270.377 -0.160 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000423382763 285035767 /nfs/dbraw/zinc/03/57/67/285035767.db2.gz PCOHCGMGOXACMB-ZFWWWQNUSA-N 2 1 299.415 -0.161 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000423382759 285037792 /nfs/dbraw/zinc/03/77/92/285037792.db2.gz PCOHCGMGOXACMB-DZGCQCFKSA-N 2 1 299.415 -0.161 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@H](C[NH3+])OC)C1 ZINC000447435652 285054149 /nfs/dbraw/zinc/05/41/49/285054149.db2.gz QCJHSCTUCUNCJH-GHMZBOCLSA-N 2 1 259.350 -0.813 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000424169480 207966843 /nfs/dbraw/zinc/96/68/43/207966843.db2.gz JOKJWSAZBWUDSZ-KXNHARMFSA-N 2 1 255.362 -0.003 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(=O)n(C)c1=O ZINC000427132128 208054875 /nfs/dbraw/zinc/05/48/75/208054875.db2.gz ZHEQZCBNCTUWFW-CMPLNLGQSA-N 2 1 278.356 -0.732 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(=O)n(C)c1=O ZINC000427132128 208054881 /nfs/dbraw/zinc/05/48/81/208054881.db2.gz ZHEQZCBNCTUWFW-CMPLNLGQSA-N 2 1 278.356 -0.732 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+](CCO)C2CC2)CC1 ZINC000429673878 208127516 /nfs/dbraw/zinc/12/75/16/208127516.db2.gz JEPRGDLQKRBKPL-UHFFFAOYSA-N 2 1 255.362 -0.393 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCO)C2CC2)CC1 ZINC000429673878 208127519 /nfs/dbraw/zinc/12/75/19/208127519.db2.gz JEPRGDLQKRBKPL-UHFFFAOYSA-N 2 1 255.362 -0.393 20 0 CBADMP COC(=O)[C@](C)(O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000429677667 208127578 /nfs/dbraw/zinc/12/75/78/208127578.db2.gz CNGVRLLYFRLVIV-CQSZACIVSA-N 2 1 287.404 -0.520 20 0 CBADMP CC(C)[C@H]1C(=O)NCC[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000429672478 208128215 /nfs/dbraw/zinc/12/82/15/208128215.db2.gz DSQMGNFNWVZYIM-AWEZNQCLSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCC[C@H](C)[NH3+])CC1 ZINC000429037346 208107339 /nfs/dbraw/zinc/10/73/39/208107339.db2.gz XGTDHXUAODSJPB-LBPRGKRZSA-N 2 1 256.394 -0.133 20 0 CBADMP O=C(COC1C[NH2+]C1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000430715994 208174798 /nfs/dbraw/zinc/17/47/98/208174798.db2.gz RNXVFIZMIXFRRM-SNVBAGLBSA-N 2 1 253.346 -0.425 20 0 CBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C[NH3+])CC2)CC1 ZINC000430722100 208175368 /nfs/dbraw/zinc/17/53/68/208175368.db2.gz FFCJAPKBAZVEOW-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000430711720 208174916 /nfs/dbraw/zinc/17/49/16/208174916.db2.gz GCDSCGUREZAPRX-TUAOUCFPSA-N 2 1 255.362 -0.049 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430576401 208165163 /nfs/dbraw/zinc/16/51/63/208165163.db2.gz XFEPQDSMZJFYHY-WDEREUQCSA-N 2 1 263.407 -0.015 20 0 CBADMP CC(C)N1CC[C@@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430629332 208167957 /nfs/dbraw/zinc/16/79/57/208167957.db2.gz PWYKYFVINSOGLA-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP CN(CC1CC1)C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633983 208169158 /nfs/dbraw/zinc/16/91/58/208169158.db2.gz AUBZADRWOVPXBO-ZDUSSCGKSA-N 2 1 296.415 -0.358 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000430636471 208169404 /nfs/dbraw/zinc/16/94/04/208169404.db2.gz JGNZRFZRUAMROK-DGCLKSJQSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC([NH3+])CC2)CC1 ZINC000430630600 208169861 /nfs/dbraw/zinc/16/98/61/208169861.db2.gz YZKIWOLSMGYXRY-GFCCVEGCSA-N 2 1 268.405 -0.038 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000430695278 208172151 /nfs/dbraw/zinc/17/21/51/208172151.db2.gz MPAKNIYRVWKMMR-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430695807 208172206 /nfs/dbraw/zinc/17/22/06/208172206.db2.gz AHFAMLAYAHZUPG-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)C[NH3+])C[C@@H]1C ZINC000430715429 208175248 /nfs/dbraw/zinc/17/52/48/208175248.db2.gz AGBBOEAVOGSUEY-QWRGUYRKSA-N 2 1 257.378 -0.115 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(C)(C)C[NH3+])C[C@@H]1C ZINC000430715429 208175254 /nfs/dbraw/zinc/17/52/54/208175254.db2.gz AGBBOEAVOGSUEY-QWRGUYRKSA-N 2 1 257.378 -0.115 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372098605 285074755 /nfs/dbraw/zinc/07/47/55/285074755.db2.gz LSXKJABSBXUBMU-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP COCC[NH2+]CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251609783 285075593 /nfs/dbraw/zinc/07/55/93/285075593.db2.gz DLAXGOVMSLLVSR-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CC[NH2+]C2)n1C ZINC000430720581 208176510 /nfs/dbraw/zinc/17/65/10/208176510.db2.gz NBGBWURSZDLUPO-SECBINFHSA-N 2 1 251.334 -0.288 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)C[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000430741857 208178291 /nfs/dbraw/zinc/17/82/91/208178291.db2.gz FFCHTZBJQULUQA-HZSPNIEDSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)COC2C[NH2+]C2)C[C@H](C)O1 ZINC000430748538 208179473 /nfs/dbraw/zinc/17/94/73/208179473.db2.gz QHNJTTYUUGZKAD-RYUDHWBXSA-N 2 1 299.415 -0.021 20 0 CBADMP CC(C)OCC[NH+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000430791566 208181092 /nfs/dbraw/zinc/18/10/92/208181092.db2.gz NBJSEFXGRFLBBL-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000430793928 208181933 /nfs/dbraw/zinc/18/19/33/208181933.db2.gz NRNXSKZMOYJQFJ-OAHLLOKOSA-N 2 1 296.415 -0.392 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000430794316 208182620 /nfs/dbraw/zinc/18/26/20/208182620.db2.gz POHFUHZEZNTRSY-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC[NH2+]C1 ZINC000430891996 208186377 /nfs/dbraw/zinc/18/63/77/208186377.db2.gz YZIOZUFNQCOZDZ-FZMZJTMJSA-N 2 1 282.388 -0.558 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C[NH2+]CC2CC2)C1 ZINC000430890725 208186880 /nfs/dbraw/zinc/18/68/80/208186880.db2.gz SARBDIXKWUMJOA-ZDUSSCGKSA-N 2 1 296.415 -0.310 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000430892249 208186909 /nfs/dbraw/zinc/18/69/09/208186909.db2.gz CCEARPIDGKWWFZ-XQQFMLRXSA-N 2 1 296.415 -0.183 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C[NH2+]CC2CC2)C1 ZINC000430890724 208187358 /nfs/dbraw/zinc/18/73/58/208187358.db2.gz SARBDIXKWUMJOA-CYBMUJFWSA-N 2 1 296.415 -0.310 20 0 CBADMP CC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000430876926 208187833 /nfs/dbraw/zinc/18/78/33/208187833.db2.gz IACHLJUKXVNHCI-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000430890736 208188674 /nfs/dbraw/zinc/18/86/74/208188674.db2.gz UPARWONAGMOSPT-VXGBXAGGSA-N 2 1 282.388 -0.416 20 0 CBADMP COCCC[NH+]1CCC(NC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000430901825 208190001 /nfs/dbraw/zinc/19/00/01/208190001.db2.gz VWTSBQVGRRFDEY-CYBMUJFWSA-N 2 1 285.388 -0.408 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000430903749 208190997 /nfs/dbraw/zinc/19/09/97/208190997.db2.gz LAVCDRUCYUOPCF-NWDGAFQWSA-N 2 1 282.388 -0.416 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000430896940 208191317 /nfs/dbraw/zinc/19/13/17/208191317.db2.gz JLMOHWMCGIYOSV-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000430897490 208191760 /nfs/dbraw/zinc/19/17/60/208191760.db2.gz NWNBYPABOPRGGB-VXGBXAGGSA-N 2 1 282.388 -0.701 20 0 CBADMP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000430951331 208193742 /nfs/dbraw/zinc/19/37/42/208193742.db2.gz VBMJFVXIAVXYGL-GFCCVEGCSA-N 2 1 294.399 -0.652 20 0 CBADMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000430951331 208193749 /nfs/dbraw/zinc/19/37/49/208193749.db2.gz VBMJFVXIAVXYGL-GFCCVEGCSA-N 2 1 294.399 -0.652 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000430928523 208193992 /nfs/dbraw/zinc/19/39/92/208193992.db2.gz LRUZKLFJAOLRHO-MBNYWOFBSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000430928523 208193995 /nfs/dbraw/zinc/19/39/95/208193995.db2.gz LRUZKLFJAOLRHO-MBNYWOFBSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@H]([NH3+])C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000431012543 208198422 /nfs/dbraw/zinc/19/84/22/208198422.db2.gz FYXDIQOJHGQDOH-NEPJUHHUSA-N 2 1 256.394 -0.277 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000431027490 208198632 /nfs/dbraw/zinc/19/86/32/208198632.db2.gz WPZMFUDFBVUKOZ-RTXFEEFZSA-N 2 1 267.373 -0.036 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)C[NH2+]CCOC)CC1 ZINC000431017929 208199010 /nfs/dbraw/zinc/19/90/10/208199010.db2.gz SSDWFWFRPRGFBA-UHFFFAOYSA-N 2 1 286.420 -0.634 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH3+])CN1CC[NH+](C)CC1 ZINC000431015150 208199404 /nfs/dbraw/zinc/19/94/04/208199404.db2.gz NIWPSUUBLAJHJG-LBPRGKRZSA-N 2 1 256.394 -0.275 20 0 CBADMP C[C@H]1C[N@H+](C2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)CCO1 ZINC000431032343 208201855 /nfs/dbraw/zinc/20/18/55/208201855.db2.gz BLOBDRJHJIVLTN-JSGCOSHPSA-N 2 1 297.399 -0.314 20 0 CBADMP CC(C)[C@H](C[NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000433154844 208239307 /nfs/dbraw/zinc/23/93/07/208239307.db2.gz CFAFUGJSOHXEKQ-LBPRGKRZSA-N 2 1 284.404 -0.502 20 0 CBADMP CC(C)[C@@H](C[NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000433154843 208240500 /nfs/dbraw/zinc/24/05/00/208240500.db2.gz CFAFUGJSOHXEKQ-GFCCVEGCSA-N 2 1 284.404 -0.502 20 0 CBADMP C[C@H]([NH3+])CCC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000434692166 208264236 /nfs/dbraw/zinc/26/42/36/208264236.db2.gz WFVLSWIFXRJPIN-WDEREUQCSA-N 2 1 270.377 -0.430 20 0 CBADMP C[C@H]([NH3+])CCC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000434679120 208265123 /nfs/dbraw/zinc/26/51/23/208265123.db2.gz AYHBPWKIUMGNQW-NWDGAFQWSA-N 2 1 284.404 -0.183 20 0 CBADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000435881812 208285448 /nfs/dbraw/zinc/28/54/48/208285448.db2.gz WDFQKLQXVFZANV-NSHDSACASA-N 2 1 263.407 -0.143 20 0 CBADMP C[NH2+]CCC[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000435881812 208285454 /nfs/dbraw/zinc/28/54/54/208285454.db2.gz WDFQKLQXVFZANV-NSHDSACASA-N 2 1 263.407 -0.143 20 0 CBADMP C[NH+]1CCN(c2cncc(N3CC[NH+](C)CC3)n2)CC1 ZINC000439115876 208319911 /nfs/dbraw/zinc/31/99/11/208319911.db2.gz FHKKKVROTNEGSF-UHFFFAOYSA-N 2 1 276.388 -0.020 20 0 CBADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442766283 208364706 /nfs/dbraw/zinc/36/47/06/208364706.db2.gz KSKFZYFOFZVTBH-IJLUTSLNSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442766283 208364710 /nfs/dbraw/zinc/36/47/10/208364710.db2.gz KSKFZYFOFZVTBH-IJLUTSLNSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CO ZINC000448853461 285243701 /nfs/dbraw/zinc/24/37/01/285243701.db2.gz PJMKQLQPAYESQZ-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CC[NH3+])CC1=O ZINC000423998202 285253809 /nfs/dbraw/zinc/25/38/09/285253809.db2.gz AFJYDZJADKRKKN-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419985139 285269332 /nfs/dbraw/zinc/26/93/32/285269332.db2.gz WLGMHARYVVYOAJ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC000655159636 413028683 /nfs/dbraw/zinc/02/86/83/413028683.db2.gz JTRBMXIRMNTOQJ-STQMWFEESA-N 2 1 296.415 -0.093 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)CC[NH2+]C)CC1 ZINC000357237106 285319968 /nfs/dbraw/zinc/31/99/68/285319968.db2.gz FELQGPNIIJVVPV-CYBMUJFWSA-N 2 1 270.421 -0.014 20 0 CBADMP C[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000575060825 335060676 /nfs/dbraw/zinc/06/06/76/335060676.db2.gz OIBNFBNJIPXTNE-NWDGAFQWSA-N 2 1 254.378 -0.428 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000343687240 285356110 /nfs/dbraw/zinc/35/61/10/285356110.db2.gz RACQNHMPIUZGFE-ZIAGYGMSSA-N 2 1 296.415 -0.787 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000343687240 285356111 /nfs/dbraw/zinc/35/61/11/285356111.db2.gz RACQNHMPIUZGFE-ZIAGYGMSSA-N 2 1 296.415 -0.787 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000377962185 285356817 /nfs/dbraw/zinc/35/68/17/285356817.db2.gz STHAXUNHRUPPHF-CYBMUJFWSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000377962185 285356819 /nfs/dbraw/zinc/35/68/19/285356819.db2.gz STHAXUNHRUPPHF-CYBMUJFWSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)C1 ZINC000261684451 285361065 /nfs/dbraw/zinc/36/10/65/285361065.db2.gz IBBSPZCWTKDQOG-SRVKXCTJSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)C1 ZINC000261684451 285361067 /nfs/dbraw/zinc/36/10/67/285361067.db2.gz IBBSPZCWTKDQOG-SRVKXCTJSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)C[NH3+])[C@H](C)C1 ZINC000347651336 285385151 /nfs/dbraw/zinc/38/51/51/285385151.db2.gz RHLMUSCRPYUWRH-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP [NH3+]CCOCC[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000357085433 134742807 /nfs/dbraw/zinc/74/28/07/134742807.db2.gz SXIOGAZDQWZNCO-UHFFFAOYSA-N 2 1 291.359 -0.778 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000575123642 335069557 /nfs/dbraw/zinc/06/95/57/335069557.db2.gz RGAXINXZUKJVLT-KGLIPLIRSA-N 2 1 296.367 -0.201 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](C)CC1 ZINC000575125053 335069675 /nfs/dbraw/zinc/06/96/75/335069675.db2.gz UHRCSRLPFONVQI-MCIONIFRSA-N 2 1 280.416 -0.310 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000333520550 297093447 /nfs/dbraw/zinc/09/34/47/297093447.db2.gz KOZOAHAAGIHZPW-JHJVBQTASA-N 2 1 282.388 -0.147 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000575125054 335069810 /nfs/dbraw/zinc/06/98/10/335069810.db2.gz UHRCSRLPFONVQI-MGPQQGTHSA-N 2 1 280.416 -0.310 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360571483 289238587 /nfs/dbraw/zinc/23/85/87/289238587.db2.gz VHFFCOAEKCVQPN-LBPRGKRZSA-N 2 1 275.418 -0.047 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360571483 289238590 /nfs/dbraw/zinc/23/85/90/289238590.db2.gz VHFFCOAEKCVQPN-LBPRGKRZSA-N 2 1 275.418 -0.047 20 0 CBADMP CN(C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1)[C@H]1CC[NH2+]C1 ZINC000576753822 335243301 /nfs/dbraw/zinc/24/33/01/335243301.db2.gz ZKRLGBZGAHFYKA-UWVGGRQHSA-N 2 1 263.345 -0.080 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000374444333 304370046 /nfs/dbraw/zinc/37/00/46/304370046.db2.gz SVRMSPQHVSIIBK-OLZOCXBDSA-N 2 1 276.340 -0.457 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000043710428 304370284 /nfs/dbraw/zinc/37/02/84/304370284.db2.gz ZXEXGVCGUKUDCV-NEPJUHHUSA-N 2 1 253.346 -0.329 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000043710428 304370285 /nfs/dbraw/zinc/37/02/85/304370285.db2.gz ZXEXGVCGUKUDCV-NEPJUHHUSA-N 2 1 253.346 -0.329 20 0 CBADMP C[C@@H](C(=O)NCC[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000358699992 286774927 /nfs/dbraw/zinc/77/49/27/286774927.db2.gz WUUUCGSHFBQGAK-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NC(N)=O)CC[NH2+]CC2 ZINC000331632757 287236983 /nfs/dbraw/zinc/23/69/83/287236983.db2.gz MADOBMSSRIMVDC-SECBINFHSA-N 2 1 254.334 -0.355 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662753714 413992044 /nfs/dbraw/zinc/99/20/44/413992044.db2.gz VGAJRENBIAURMR-SNVBAGLBSA-N 2 1 279.344 -0.259 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662747551 413993890 /nfs/dbraw/zinc/99/38/90/413993890.db2.gz YCWVFNFXYNXWNT-HAQNSBGRSA-N 2 1 282.388 -0.654 20 0 CBADMP [NH3+][C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC[C@H]1F ZINC000662748262 413994405 /nfs/dbraw/zinc/99/44/05/413994405.db2.gz NUPLWUXMCUQABG-OPRDCNLKSA-N 2 1 281.335 -0.002 20 0 CBADMP C[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)C[NH+]1CCCCC1 ZINC000038042321 174045535 /nfs/dbraw/zinc/04/55/35/174045535.db2.gz METGZMXFLIJFEL-GHMZBOCLSA-N 2 1 270.377 -0.573 20 0 CBADMP C[N@@H+](CCC(=O)NC(N)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747002 174391985 /nfs/dbraw/zinc/39/19/85/174391985.db2.gz YOZWWZFFVVXBKB-ULKQDVFKSA-N 2 1 254.334 -0.214 20 0 CBADMP Cn1c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(=O)n(C)c1=O ZINC000040747049 174392741 /nfs/dbraw/zinc/39/27/41/174392741.db2.gz XZKAJJVRHYFBFT-FOSCPWQOSA-N 2 1 292.383 -0.201 20 0 CBADMP Cn1c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(=O)n(C)c1=O ZINC000040747049 174392742 /nfs/dbraw/zinc/39/27/42/174392742.db2.gz XZKAJJVRHYFBFT-FOSCPWQOSA-N 2 1 292.383 -0.201 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C1CCCC1 ZINC000071378681 176143692 /nfs/dbraw/zinc/14/36/92/176143692.db2.gz KFZMHIFNSOASKG-RYUDHWBXSA-N 2 1 255.362 -0.300 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C[NH2+]C1CC1 ZINC000575174066 335075300 /nfs/dbraw/zinc/07/53/00/335075300.db2.gz OLFVWSJLJMPYCZ-NSHDSACASA-N 2 1 263.345 -0.355 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000331370148 228095757 /nfs/dbraw/zinc/09/57/57/228095757.db2.gz CXYDVNBEOXTAGB-NQBHXWOUSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000092955650 544440866 /nfs/dbraw/zinc/44/08/66/544440866.db2.gz GTEJOTJXJKMDJJ-QWHCGFSZSA-N 2 1 268.405 -0.262 20 0 CBADMP CC1(OCC(=O)N2CC[NH+](C3CC3)CC2)C[NH2+]C1 ZINC000098061619 544447093 /nfs/dbraw/zinc/44/70/93/544447093.db2.gz MMLVQPDAPXWMKP-UHFFFAOYSA-N 2 1 253.346 -0.329 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000227333159 544494947 /nfs/dbraw/zinc/49/49/47/544494947.db2.gz JBXUQKHZQSYAQT-UPJWGTAASA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)COCC[NH3+])CC[C@@H]21 ZINC000167531141 544478495 /nfs/dbraw/zinc/47/84/95/544478495.db2.gz XYPSQKZXBJHBHO-RYUDHWBXSA-N 2 1 255.362 -0.096 20 0 CBADMP Cc1noc(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)n1 ZINC000231890032 544501848 /nfs/dbraw/zinc/50/18/48/544501848.db2.gz BVOKYTGQLLGQOU-LLVKDONJSA-N 2 1 254.334 -0.033 20 0 CBADMP C[C@]1(C(N)=O)CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000235739601 544504631 /nfs/dbraw/zinc/50/46/31/544504631.db2.gz ASSBZRLEVKEBHP-ZDUSSCGKSA-N 2 1 268.361 -0.994 20 0 CBADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CN1CCOCC1 ZINC000250987909 544514256 /nfs/dbraw/zinc/51/42/56/544514256.db2.gz CBQJMKPFAQIDAY-SOUVJXGZSA-N 2 1 283.416 -0.104 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261869518 544517729 /nfs/dbraw/zinc/51/77/29/544517729.db2.gz SEXHKWTVBXIQCQ-YNEHKIRRSA-N 2 1 268.405 -0.134 20 0 CBADMP CN1CCN(C)[C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261869518 544517731 /nfs/dbraw/zinc/51/77/31/544517731.db2.gz SEXHKWTVBXIQCQ-YNEHKIRRSA-N 2 1 268.405 -0.134 20 0 CBADMP O=C(CN1CC[NH2+]CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037799609 419412584 /nfs/dbraw/zinc/41/25/84/419412584.db2.gz MXVIAXNZUUUKFG-AWEZNQCLSA-N 2 1 296.415 -0.785 20 0 CBADMP CN(CC1C[NH+](C)C1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000661233638 419479451 /nfs/dbraw/zinc/47/94/51/419479451.db2.gz BHGRCXULMGZUFR-UHFFFAOYSA-N 2 1 284.404 -0.088 20 0 CBADMP C[N@@H+](CCC[NH3+])CCOc1ccc(S(N)(=O)=O)cc1 ZINC000123285847 419491207 /nfs/dbraw/zinc/49/12/07/419491207.db2.gz IAYIAFALPYPBPV-UHFFFAOYSA-N 2 1 287.385 -0.007 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000044538852 419427836 /nfs/dbraw/zinc/42/78/36/419427836.db2.gz ISNSCRMVMSEQAU-GFCCVEGCSA-N 2 1 254.378 -0.650 20 0 CBADMP C[NH2+]CCC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000043605815 419428490 /nfs/dbraw/zinc/42/84/90/419428490.db2.gz BSWLMZAJLFMTTL-ZDUSSCGKSA-N 2 1 270.421 -0.016 20 0 CBADMP C[C@H]1CN(C(=O)C[N@H+](C)CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000071150120 419463461 /nfs/dbraw/zinc/46/34/61/419463461.db2.gz HNQWPUCKRDWBHR-KBPBESRZSA-N 2 1 298.431 -0.541 20 0 CBADMP C[C@H]1CN(C(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000071150120 419463466 /nfs/dbraw/zinc/46/34/66/419463466.db2.gz HNQWPUCKRDWBHR-KBPBESRZSA-N 2 1 298.431 -0.541 20 0 CBADMP C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)CCN1CC[NH2+]CC1 ZINC000071150328 419464467 /nfs/dbraw/zinc/46/44/67/419464467.db2.gz CJYCXKLCMTZWHE-UHFFFAOYSA-N 2 1 297.403 -0.846 20 0 CBADMP CCCCNC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150909 419469134 /nfs/dbraw/zinc/46/91/34/419469134.db2.gz GJSBPRODOAJURL-UHFFFAOYSA-N 2 1 256.394 -0.260 20 0 CBADMP CCCCNC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150909 419469139 /nfs/dbraw/zinc/46/91/39/419469139.db2.gz GJSBPRODOAJURL-UHFFFAOYSA-N 2 1 256.394 -0.260 20 0 CBADMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661138434 419471922 /nfs/dbraw/zinc/47/19/22/419471922.db2.gz BIQQGEGCAPZZAH-CHWSQXEVSA-N 2 1 267.377 -0.087 20 0 CBADMP CC[N@H+](C)C[C@@H](O)CN1CC[C@@H](Cn2ccnn2)C1 ZINC000661138434 419471932 /nfs/dbraw/zinc/47/19/32/419471932.db2.gz BIQQGEGCAPZZAH-CHWSQXEVSA-N 2 1 267.377 -0.087 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](Cn2ccnn2)C1 ZINC000661138434 419471936 /nfs/dbraw/zinc/47/19/36/419471936.db2.gz BIQQGEGCAPZZAH-CHWSQXEVSA-N 2 1 267.377 -0.087 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661138434 419471944 /nfs/dbraw/zinc/47/19/44/419471944.db2.gz BIQQGEGCAPZZAH-CHWSQXEVSA-N 2 1 267.377 -0.087 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661138434 419471949 /nfs/dbraw/zinc/47/19/49/419471949.db2.gz BIQQGEGCAPZZAH-CHWSQXEVSA-N 2 1 267.377 -0.087 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661138434 419471958 /nfs/dbraw/zinc/47/19/58/419471958.db2.gz BIQQGEGCAPZZAH-CHWSQXEVSA-N 2 1 267.377 -0.087 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661138434 419471962 /nfs/dbraw/zinc/47/19/62/419471962.db2.gz BIQQGEGCAPZZAH-CHWSQXEVSA-N 2 1 267.377 -0.087 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000126232556 419493975 /nfs/dbraw/zinc/49/39/75/419493975.db2.gz ISWKAIUSKPKGGJ-PWSUYJOCSA-N 2 1 270.377 -0.704 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CO)C2CCC2)CC1 ZINC000661156618 419474863 /nfs/dbraw/zinc/47/48/63/419474863.db2.gz YAGMITZBVBPTNE-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP COCC[N@H+](C)C[C@H](O)CN1CC[C@@]2(O)C[C@H]2C1 ZINC000661723928 419523496 /nfs/dbraw/zinc/52/34/96/419523496.db2.gz ZBLPNDPWSMVEBV-RWMBFGLXSA-N 2 1 258.362 -0.618 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@]2(O)C[C@H]2C1 ZINC000661723928 419523500 /nfs/dbraw/zinc/52/35/00/419523500.db2.gz ZBLPNDPWSMVEBV-RWMBFGLXSA-N 2 1 258.362 -0.618 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C)CC2)[C@@H]1CO ZINC000189730670 419535016 /nfs/dbraw/zinc/53/50/16/419535016.db2.gz NCKSLHSWKAJBSL-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394374194 544578625 /nfs/dbraw/zinc/57/86/25/544578625.db2.gz RXUHDJJUNFUHNP-UPJWGTAASA-N 2 1 268.405 -0.134 20 0 CBADMP CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258761 419568033 /nfs/dbraw/zinc/56/80/33/419568033.db2.gz XKSJSVGWRABLCN-RYUDHWBXSA-N 2 1 267.373 -0.036 20 0 CBADMP CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258761 419568039 /nfs/dbraw/zinc/56/80/39/419568039.db2.gz XKSJSVGWRABLCN-RYUDHWBXSA-N 2 1 267.373 -0.036 20 0 CBADMP OC(C[NH+]1CCC2(COC2)C1)C[N@@H+]1CCC2(COC2)C1 ZINC000662073645 419546655 /nfs/dbraw/zinc/54/66/55/419546655.db2.gz KTCGERVZSIBQLJ-UHFFFAOYSA-N 2 1 282.384 -0.208 20 0 CBADMP OC(C[NH+]1CCC2(COC2)C1)C[N@H+]1CCC2(COC2)C1 ZINC000662073645 419546663 /nfs/dbraw/zinc/54/66/63/419546663.db2.gz KTCGERVZSIBQLJ-UHFFFAOYSA-N 2 1 282.384 -0.208 20 0 CBADMP [NH3+][C@@H]1CCO[C@H]1C1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662273286 419568311 /nfs/dbraw/zinc/56/83/11/419568311.db2.gz LCBINJGKOUXFRE-MJBXVCDLSA-N 2 1 269.389 -0.197 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C ZINC000662261312 419568425 /nfs/dbraw/zinc/56/84/25/419568425.db2.gz HLDWFOACYGJWJI-RDBSUJKOSA-N 2 1 283.416 -0.106 20 0 CBADMP C[C@H](O)CN1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C ZINC000662261312 419568429 /nfs/dbraw/zinc/56/84/29/419568429.db2.gz HLDWFOACYGJWJI-RDBSUJKOSA-N 2 1 283.416 -0.106 20 0 CBADMP C[C@H](O)CN1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C ZINC000662261312 419568436 /nfs/dbraw/zinc/56/84/36/419568436.db2.gz HLDWFOACYGJWJI-RDBSUJKOSA-N 2 1 283.416 -0.106 20 0 CBADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCOCC1)C2 ZINC000389084999 544577029 /nfs/dbraw/zinc/57/70/29/544577029.db2.gz MBUSRCKPBDPHFN-JSGCOSHPSA-N 2 1 267.373 -0.094 20 0 CBADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCOCC1)C2 ZINC000389084999 544577032 /nfs/dbraw/zinc/57/70/32/544577032.db2.gz MBUSRCKPBDPHFN-JSGCOSHPSA-N 2 1 267.373 -0.094 20 0 CBADMP CC[N@H+](C)CCNC(=O)NCCC[NH+]1CCOCC1 ZINC000194836456 419554464 /nfs/dbraw/zinc/55/44/64/419554464.db2.gz GIOFUKUHYOKBAK-UHFFFAOYSA-N 2 1 272.393 -0.040 20 0 CBADMP CC[N@@H+](C)CCNC(=O)NCCC[NH+]1CCOCC1 ZINC000194836456 419554477 /nfs/dbraw/zinc/55/44/77/419554477.db2.gz GIOFUKUHYOKBAK-UHFFFAOYSA-N 2 1 272.393 -0.040 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242026 419557623 /nfs/dbraw/zinc/55/76/23/419557623.db2.gz AQRATRKZHQWSBT-QWHCGFSZSA-N 3 1 296.415 -0.706 20 0 CBADMP Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)[nH]1 ZINC000662243675 419558479 /nfs/dbraw/zinc/55/84/79/419558479.db2.gz OGDHWHXTKMDNAK-MWLCHTKSSA-N 2 1 280.376 -0.039 20 0 CBADMP Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)[nH]1 ZINC000662243675 419558487 /nfs/dbraw/zinc/55/84/87/419558487.db2.gz OGDHWHXTKMDNAK-MWLCHTKSSA-N 2 1 280.376 -0.039 20 0 CBADMP C[N@H+](CCO[C@H]1CC1(F)F)CC(=O)N1CC[NH2+]CC1 ZINC000662237382 419558855 /nfs/dbraw/zinc/55/88/55/419558855.db2.gz JTCBGEWFXQZXGS-JTQLQIEISA-N 2 1 277.315 -0.226 20 0 CBADMP C[N@@H+](CCO[C@H]1CC1(F)F)CC(=O)N1CC[NH2+]CC1 ZINC000662237382 419558857 /nfs/dbraw/zinc/55/88/57/419558857.db2.gz JTCBGEWFXQZXGS-JTQLQIEISA-N 2 1 277.315 -0.226 20 0 CBADMP Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)[nH]1 ZINC000662243674 419559152 /nfs/dbraw/zinc/55/91/52/419559152.db2.gz OGDHWHXTKMDNAK-KOLCDFICSA-N 2 1 280.376 -0.039 20 0 CBADMP Cc1nnc([C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)[nH]1 ZINC000662243674 419559156 /nfs/dbraw/zinc/55/91/56/419559156.db2.gz OGDHWHXTKMDNAK-KOLCDFICSA-N 2 1 280.376 -0.039 20 0 CBADMP CCNC(=O)C[N@@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251531 419560744 /nfs/dbraw/zinc/56/07/44/419560744.db2.gz GNISQCBIFGNSHI-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000389758298 544577637 /nfs/dbraw/zinc/57/76/37/544577637.db2.gz SAJSAWKQLXEOGF-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256738 419563698 /nfs/dbraw/zinc/56/36/98/419563698.db2.gz YKIMSOXGUQRYRV-NWDGAFQWSA-N 2 1 267.373 -0.035 20 0 CBADMP CC1(OCC(=O)NCC[NH+]2CCSCC2)C[NH2+]C1 ZINC000219041978 419564712 /nfs/dbraw/zinc/56/47/12/419564712.db2.gz KQLWGRXCKBNONI-UHFFFAOYSA-N 2 1 273.402 -0.470 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000220015483 419564900 /nfs/dbraw/zinc/56/49/00/419564900.db2.gz HGZKNMCKYHPQNK-UHFFFAOYSA-N 2 1 268.365 -0.302 20 0 CBADMP O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394377588 544578262 /nfs/dbraw/zinc/57/82/62/544578262.db2.gz DMIDEXCTFSWMSD-KBPBESRZSA-N 2 1 280.416 -0.118 20 0 CBADMP CC[NH+](CC(=O)NCC[N@@H+](CC)CCO)C1CC1 ZINC000183916299 419515588 /nfs/dbraw/zinc/51/55/88/419515588.db2.gz ZLCLXGGEMRJJPZ-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[N@H+](CC)C1CC1 ZINC000183916299 419515595 /nfs/dbraw/zinc/51/55/95/419515595.db2.gz ZLCLXGGEMRJJPZ-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[N@@H+](CC)C1CC1 ZINC000183916299 419515604 /nfs/dbraw/zinc/51/56/04/419515604.db2.gz ZLCLXGGEMRJJPZ-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1C ZINC000662261310 419570284 /nfs/dbraw/zinc/57/02/84/419570284.db2.gz HLDWFOACYGJWJI-IHRRRGAJSA-N 2 1 283.416 -0.106 20 0 CBADMP C[C@H](O)CN1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1C ZINC000662261310 419570292 /nfs/dbraw/zinc/57/02/92/419570292.db2.gz HLDWFOACYGJWJI-IHRRRGAJSA-N 2 1 283.416 -0.106 20 0 CBADMP C[C@H](O)CN1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1C ZINC000662261310 419570300 /nfs/dbraw/zinc/57/03/00/419570300.db2.gz HLDWFOACYGJWJI-IHRRRGAJSA-N 2 1 283.416 -0.106 20 0 CBADMP C[N@@H+](CCN1CCOCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662277124 419572067 /nfs/dbraw/zinc/57/20/67/419572067.db2.gz OBBBTYSSXIENJI-CYBMUJFWSA-N 2 1 269.389 -0.229 20 0 CBADMP NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662277823 419572102 /nfs/dbraw/zinc/57/21/02/419572102.db2.gz UMWCFVGHIQNVMM-QWRGUYRKSA-N 2 1 289.401 -0.740 20 0 CBADMP COC[C@H](C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)OC ZINC000662275978 419573111 /nfs/dbraw/zinc/57/31/11/419573111.db2.gz GJIAXWUDOHUWEB-STQMWFEESA-N 2 1 257.378 -0.373 20 0 CBADMP c1cnc(N[C@@H]2CC[N@H+](C[C@H]3CNCCO3)C2)nc1 ZINC000662282294 419574911 /nfs/dbraw/zinc/57/49/11/419574911.db2.gz FNSDJQIIQZBILV-VXGBXAGGSA-N 2 1 263.345 -0.049 20 0 CBADMP CN(C)c1nc(N2CCN(C(=O)CCC[NH3+])CC2)cc[nH+]1 ZINC000237110112 419576510 /nfs/dbraw/zinc/57/65/10/419576510.db2.gz WMWMHPCOYBNNQW-UHFFFAOYSA-N 2 1 292.387 -0.070 20 0 CBADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000394382405 544581351 /nfs/dbraw/zinc/58/13/51/544581351.db2.gz VZLAVGKDXDJTEN-MGPQQGTHSA-N 2 1 280.416 -0.119 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662303789 419579675 /nfs/dbraw/zinc/57/96/75/419579675.db2.gz GGIIBGIXAWOZSC-OPFPJEHXSA-N 2 1 280.416 -0.038 20 0 CBADMP CC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662298291 419580612 /nfs/dbraw/zinc/58/06/12/419580612.db2.gz BDCNIMQNUWCLKC-NEPJUHHUSA-N 2 1 253.346 -0.282 20 0 CBADMP C(C[N@@H+](CCN1CCOCC1)CC1CC1)N1CC[NH2+]CC1 ZINC000662314307 419583329 /nfs/dbraw/zinc/58/33/29/419583329.db2.gz DSQUNZXNYUGFKS-UHFFFAOYSA-N 2 1 296.459 -0.064 20 0 CBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000237554209 419585045 /nfs/dbraw/zinc/58/50/45/419585045.db2.gz IGKVZNZWKDCHAO-RYUDHWBXSA-N 2 1 271.361 -0.798 20 0 CBADMP CN1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCC1=O ZINC000662317625 419585274 /nfs/dbraw/zinc/58/52/74/419585274.db2.gz YEUNJDBZVOIVGM-LLVKDONJSA-N 2 1 253.346 -0.329 20 0 CBADMP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)C[C@H]21 ZINC000662315653 419586817 /nfs/dbraw/zinc/58/68/17/419586817.db2.gz ROHYTFZNPGOXLJ-RVMXOQNASA-N 2 1 288.413 -0.270 20 0 CBADMP O=C(CC[N@H+]1CC[C@H]2COC[C@H]2C1)N1CC[NH2+]CC1 ZINC000662317504 419587071 /nfs/dbraw/zinc/58/70/71/419587071.db2.gz QIJYUBAUMNKXLU-QWHCGFSZSA-N 2 1 267.373 -0.223 20 0 CBADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662314320 419587315 /nfs/dbraw/zinc/58/73/15/419587315.db2.gz DVPHOPQOMHBKAK-CMPLNLGQSA-N 2 1 253.346 -0.295 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@](CO)(OC)C1 ZINC000401813907 544586224 /nfs/dbraw/zinc/58/62/24/544586224.db2.gz WESZBTBGXFYXEF-CHWSQXEVSA-N 2 1 260.378 -0.228 20 0 CBADMP CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000401813907 544586228 /nfs/dbraw/zinc/58/62/28/544586228.db2.gz WESZBTBGXFYXEF-CHWSQXEVSA-N 2 1 260.378 -0.228 20 0 CBADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000401813907 544586232 /nfs/dbraw/zinc/58/62/32/544586232.db2.gz WESZBTBGXFYXEF-CHWSQXEVSA-N 2 1 260.378 -0.228 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000250370872 419596238 /nfs/dbraw/zinc/59/62/38/419596238.db2.gz IPQWFXDSZWYVLU-QWHCGFSZSA-N 2 1 268.405 -0.119 20 0 CBADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@](C)(O)CO ZINC000647527115 419600833 /nfs/dbraw/zinc/60/08/33/419600833.db2.gz IPYPQKHCSMTJKS-HUUCEWRRSA-N 2 1 282.384 -0.188 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@](C)(O)CO ZINC000647527115 419600838 /nfs/dbraw/zinc/60/08/38/419600838.db2.gz IPYPQKHCSMTJKS-HUUCEWRRSA-N 2 1 282.384 -0.188 20 0 CBADMP CC1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C[NH2+]C1 ZINC000399457338 544584017 /nfs/dbraw/zinc/58/40/17/544584017.db2.gz ISLBFXNHHUYGOZ-NSHDSACASA-N 2 1 252.362 -0.898 20 0 CBADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@](C)(O)CO ZINC000647527116 419603680 /nfs/dbraw/zinc/60/36/80/419603680.db2.gz IPYPQKHCSMTJKS-LSDHHAIUSA-N 2 1 282.384 -0.188 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@](C)(O)CO ZINC000647527116 419603686 /nfs/dbraw/zinc/60/36/86/419603686.db2.gz IPYPQKHCSMTJKS-LSDHHAIUSA-N 2 1 282.384 -0.188 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000647542309 419605239 /nfs/dbraw/zinc/60/52/39/419605239.db2.gz OGUBTHNPDAYHLJ-RDBSUJKOSA-N 3 1 280.416 -0.133 20 0 CBADMP CC(C)[NH2+]CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000662437398 419605634 /nfs/dbraw/zinc/60/56/34/419605634.db2.gz DISSWVRSGZJZAV-LBPRGKRZSA-N 2 1 284.404 -0.312 20 0 CBADMP [NH3+][C@@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)C1CCC1 ZINC000399074255 544584360 /nfs/dbraw/zinc/58/43/60/544584360.db2.gz OUSZZTOXHXDZNO-CHWSQXEVSA-N 2 1 266.389 -0.380 20 0 CBADMP Nc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cn1 ZINC000647541132 419608020 /nfs/dbraw/zinc/60/80/20/419608020.db2.gz AHZIMJVOFZZDIK-CYBMUJFWSA-N 2 1 261.373 0.143 20 0 CBADMP CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000647568563 419609719 /nfs/dbraw/zinc/60/97/19/419609719.db2.gz OKYKOMUBQUHPKO-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443151 419612153 /nfs/dbraw/zinc/61/21/53/419612153.db2.gz LWPUVFXJPYMWRB-YPMHNXCESA-N 2 1 294.399 -0.144 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443151 419612162 /nfs/dbraw/zinc/61/21/62/419612162.db2.gz LWPUVFXJPYMWRB-YPMHNXCESA-N 2 1 294.399 -0.144 20 0 CBADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443151 419612167 /nfs/dbraw/zinc/61/21/67/419612167.db2.gz LWPUVFXJPYMWRB-YPMHNXCESA-N 2 1 294.399 -0.144 20 0 CBADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443151 419612175 /nfs/dbraw/zinc/61/21/75/419612175.db2.gz LWPUVFXJPYMWRB-YPMHNXCESA-N 2 1 294.399 -0.144 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000662462106 419612533 /nfs/dbraw/zinc/61/25/33/419612533.db2.gz GVXPULUFUSIWQT-KBPBESRZSA-N 2 1 298.431 -0.493 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000662462108 419614381 /nfs/dbraw/zinc/61/43/81/419614381.db2.gz GVXPULUFUSIWQT-UONOGXRCSA-N 2 1 298.431 -0.493 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000311081372 419618287 /nfs/dbraw/zinc/61/82/87/419618287.db2.gz WTVUJEPCHIKXAI-FRRDWIJNSA-N 2 1 257.378 -0.923 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000647597698 419621147 /nfs/dbraw/zinc/62/11/47/419621147.db2.gz JBWYTTBLLYVCQW-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP COC1(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC[NH2+]CC1 ZINC000310954872 419621417 /nfs/dbraw/zinc/62/14/17/419621417.db2.gz BYZNTEFSBJMVBN-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000662497455 419621399 /nfs/dbraw/zinc/62/13/99/419621399.db2.gz JNOQLNWOBVLWOE-GXSJLCMTSA-N 2 1 278.360 -0.551 20 0 CBADMP C[N@H+](CCCn1c2ccccc2[nH]c1=O)C[C@@H](O)C[NH3+] ZINC000312633459 419624545 /nfs/dbraw/zinc/62/45/45/419624545.db2.gz CFNSDHLIQSJJQG-NSHDSACASA-N 2 1 278.356 -0.029 20 0 CBADMP C[N@@H+](CCCn1c2ccccc2[nH]c1=O)C[C@@H](O)C[NH3+] ZINC000312633459 419624551 /nfs/dbraw/zinc/62/45/51/419624551.db2.gz CFNSDHLIQSJJQG-NSHDSACASA-N 2 1 278.356 -0.029 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)O1 ZINC000662514018 419624949 /nfs/dbraw/zinc/62/49/49/419624949.db2.gz JHQHJSXLPKNEAP-MROQNXINSA-N 2 1 267.373 -0.084 20 0 CBADMP C[N@@H+](CCN1CCCC1=O)CCN1CC[NH2+]CC1 ZINC000647835968 419665061 /nfs/dbraw/zinc/66/50/61/419665061.db2.gz WVILATAAEKZRGO-UHFFFAOYSA-N 2 1 254.378 -0.554 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000647828571 419666243 /nfs/dbraw/zinc/66/62/43/419666243.db2.gz MVTHAJUBIFQYBU-KGLIPLIRSA-N 2 1 299.415 -0.031 20 0 CBADMP C[C@@H]1CN(CC[N@@H+](C)CCN2CC[NH2+]CC2)CCO1 ZINC000647836184 419668719 /nfs/dbraw/zinc/66/87/19/419668719.db2.gz JMTOCHZJQKNXRG-CQSZACIVSA-N 2 1 270.421 -0.456 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCS(=O)(=O)C1 ZINC000647836160 419669892 /nfs/dbraw/zinc/66/98/92/419669892.db2.gz DWCAGLLTVAHWJQ-CYBMUJFWSA-N 2 1 289.445 -0.352 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCS(=O)(=O)C1 ZINC000647836160 419669903 /nfs/dbraw/zinc/66/99/03/419669903.db2.gz DWCAGLLTVAHWJQ-CYBMUJFWSA-N 2 1 289.445 -0.352 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000662658777 419671424 /nfs/dbraw/zinc/67/14/24/419671424.db2.gz DTKDHFSVYOEGPF-NEPJUHHUSA-N 2 1 271.361 -0.811 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662662098 419673721 /nfs/dbraw/zinc/67/37/21/419673721.db2.gz ZHTRIPDFOQEYJL-GRYCIOLGSA-N 2 1 255.362 -0.049 20 0 CBADMP [NH3+]C1(CC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000662766282 419714644 /nfs/dbraw/zinc/71/46/44/419714644.db2.gz HVNQVEVPQHIEQH-LLVKDONJSA-N 2 1 280.372 -0.709 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662672448 419678496 /nfs/dbraw/zinc/67/84/96/419678496.db2.gz AXOXYMVCBLEADN-HAQNSBGRSA-N 2 1 255.362 -0.096 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662682321 419680765 /nfs/dbraw/zinc/68/07/65/419680765.db2.gz RJZRLRGGGHAZEY-GRYCIOLGSA-N 2 1 255.362 -0.192 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000662680229 419682202 /nfs/dbraw/zinc/68/22/02/419682202.db2.gz XTLKAXHPSVPKEG-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662699512 419688293 /nfs/dbraw/zinc/68/82/93/419688293.db2.gz BOPSGZGWUWUPPN-UTUOFQBUSA-N 2 1 255.362 -0.192 20 0 CBADMP O=C1CNCCN1[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647909270 419688867 /nfs/dbraw/zinc/68/88/67/419688867.db2.gz MSEAHOREGKXGQQ-QWHCGFSZSA-N 3 1 266.389 -0.508 20 0 CBADMP O=C1CNCCN1[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647909270 419688873 /nfs/dbraw/zinc/68/88/73/419688873.db2.gz MSEAHOREGKXGQQ-QWHCGFSZSA-N 3 1 266.389 -0.508 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662703211 419692992 /nfs/dbraw/zinc/69/29/92/419692992.db2.gz GWIIYLCXHRHSSU-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662705811 419694781 /nfs/dbraw/zinc/69/47/81/419694781.db2.gz QUSLDYJRPYLVNA-IJLUTSLNSA-N 2 1 282.388 -0.573 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000662702316 419694858 /nfs/dbraw/zinc/69/48/58/419694858.db2.gz YLGKGTXOFYARTK-FRRDWIJNSA-N 2 1 285.388 -0.565 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000662717175 419699824 /nfs/dbraw/zinc/69/98/24/419699824.db2.gz LKBLMNACCAEBGN-AKJDGMEZSA-N 2 1 253.346 -0.425 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000662717175 419699826 /nfs/dbraw/zinc/69/98/26/419699826.db2.gz LKBLMNACCAEBGN-AKJDGMEZSA-N 2 1 253.346 -0.425 20 0 CBADMP O=C1NC[C@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCN2C1=O ZINC000647990919 419703262 /nfs/dbraw/zinc/70/32/62/419703262.db2.gz VENUJLMOKHQXAZ-ZDUSSCGKSA-N 2 1 294.399 -0.591 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000662719495 419704136 /nfs/dbraw/zinc/70/41/36/419704136.db2.gz DFYIUVHJIPFPES-UPJWGTAASA-N 2 1 267.373 -0.049 20 0 CBADMP C[C@@H](CNC(=O)CC1([NH3+])CC1)CN1CC[NH+](C)CC1 ZINC000662755969 419710533 /nfs/dbraw/zinc/71/05/33/419710533.db2.gz FHNUXYILCGUYMG-LBPRGKRZSA-N 2 1 268.405 -0.133 20 0 CBADMP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000662765871 419713494 /nfs/dbraw/zinc/71/34/94/419713494.db2.gz DICYHBHXFVGDQG-IJLUTSLNSA-N 2 1 280.372 -0.854 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000662622846 419654533 /nfs/dbraw/zinc/65/45/33/419654533.db2.gz UUVLCVVVONORKF-MNOVXSKESA-N 2 1 255.362 -0.036 20 0 CBADMP O=C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCNCC1 ZINC000647799727 419656548 /nfs/dbraw/zinc/65/65/48/419656548.db2.gz PGCAJXZZONCFFS-RWMBFGLXSA-N 2 1 266.389 -0.604 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)CC1([NH3+])CC1 ZINC000662789913 419727609 /nfs/dbraw/zinc/72/76/09/419727609.db2.gz GWSIIVVITGZODF-UHFFFAOYSA-N 2 1 268.405 -0.036 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C3(O)C[NH2+]C3)CC[C@@H]21 ZINC000662802701 419730110 /nfs/dbraw/zinc/73/01/10/419730110.db2.gz BXHIFYXCINJJRD-MNOVXSKESA-N 2 1 253.346 -0.737 20 0 CBADMP O=C(N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1(O)C[NH2+]C1 ZINC000662805865 419730869 /nfs/dbraw/zinc/73/08/69/419730869.db2.gz ODAMKICLVFZRKY-AAEUAGOBSA-N 2 1 279.384 -0.204 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C3(O)C[NH2+]C3)CC[C@H]21 ZINC000662802704 419731518 /nfs/dbraw/zinc/73/15/18/419731518.db2.gz BXHIFYXCINJJRD-WDEREUQCSA-N 2 1 253.346 -0.737 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662820628 419736105 /nfs/dbraw/zinc/73/61/05/419736105.db2.gz VDIWIHQKDAQEEZ-STQMWFEESA-N 2 1 299.415 -0.081 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648111053 419736435 /nfs/dbraw/zinc/73/64/35/419736435.db2.gz QGJXCQJHMNDJML-LURJTMIESA-N 2 1 257.231 -0.059 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)COC1(C)C[NH2+]C1 ZINC000648131920 419745195 /nfs/dbraw/zinc/74/51/95/419745195.db2.gz YBVRWNHVWFDIQQ-NSHDSACASA-N 2 1 293.371 -0.729 20 0 CBADMP CC1(OCC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C[NH2+]C1 ZINC000648130157 419746531 /nfs/dbraw/zinc/74/65/31/419746531.db2.gz LPGMQJJZMATNLL-ZDUSSCGKSA-N 2 1 290.367 -0.067 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000662944493 419786806 /nfs/dbraw/zinc/78/68/06/419786806.db2.gz NJMTZMQMBYLRKE-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP [NH3+]CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662859231 419754027 /nfs/dbraw/zinc/75/40/27/419754027.db2.gz LUDVVZVPXFAVSG-CYBMUJFWSA-N 2 1 263.341 -0.172 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000662943883 419786948 /nfs/dbraw/zinc/78/69/48/419786948.db2.gz CZQKURWPAZNVQD-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)N1CC[NH+](C)CC1 ZINC000648146954 419756752 /nfs/dbraw/zinc/75/67/52/419756752.db2.gz HNTVBFSVDOZYAV-GHMZBOCLSA-N 2 1 290.358 -0.264 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648153516 419760609 /nfs/dbraw/zinc/76/06/09/419760609.db2.gz XXPHDLQUPSJGHY-WDNDVIMCSA-N 2 1 280.416 -0.452 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000662944930 419787145 /nfs/dbraw/zinc/78/71/45/419787145.db2.gz BSKBOCVEGPQMRS-IJLUTSLNSA-N 2 1 272.368 -0.480 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1CCC[NH2+]CC1 ZINC000662908661 419767962 /nfs/dbraw/zinc/76/79/62/419767962.db2.gz VRONVOBKXYQVID-KGLIPLIRSA-N 2 1 280.416 -0.118 20 0 CBADMP CCC[NH2+][C@H](C)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662908347 419768164 /nfs/dbraw/zinc/76/81/64/419768164.db2.gz SXXHWNWMVVRSIB-OLZOCXBDSA-N 2 1 268.405 -0.119 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000662906408 419768869 /nfs/dbraw/zinc/76/88/69/419768869.db2.gz KAQSIDNECDUCIN-IJEWVQPXSA-N 2 1 292.427 -0.118 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662909264 419770023 /nfs/dbraw/zinc/77/00/23/419770023.db2.gz YZPDZZPNSGDLQO-RDBSUJKOSA-N 2 1 280.416 -0.119 20 0 CBADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C[NH3+])C1 ZINC000662939410 419787894 /nfs/dbraw/zinc/78/78/94/419787894.db2.gz FWKCLJDKDNJZCY-CQSZACIVSA-N 2 1 276.384 -0.123 20 0 CBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C[NH3+])C1 ZINC000662939410 419787897 /nfs/dbraw/zinc/78/78/97/419787897.db2.gz FWKCLJDKDNJZCY-CQSZACIVSA-N 2 1 276.384 -0.123 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662936730 419784196 /nfs/dbraw/zinc/78/41/96/419784196.db2.gz BLRUHLAWUMAZPN-NEPJUHHUSA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662936733 419784966 /nfs/dbraw/zinc/78/49/66/419784966.db2.gz BLRUHLAWUMAZPN-VXGBXAGGSA-N 2 1 298.431 -0.019 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCC[NH3+])C[C@H]1C ZINC000662935903 419785238 /nfs/dbraw/zinc/78/52/38/419785238.db2.gz BGYZYJXGRRXQTP-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCC[NH3+])C[C@H]1C ZINC000662935903 419785243 /nfs/dbraw/zinc/78/52/43/419785243.db2.gz BGYZYJXGRRXQTP-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662936902 419785638 /nfs/dbraw/zinc/78/56/38/419785638.db2.gz JWFGZNHQFONESP-GFCCVEGCSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662936902 419785642 /nfs/dbraw/zinc/78/56/42/419785642.db2.gz JWFGZNHQFONESP-GFCCVEGCSA-N 2 1 298.431 -0.019 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662788148 419724307 /nfs/dbraw/zinc/72/43/07/419724307.db2.gz XVTYBXQDOXUWRX-STQMWFEESA-N 2 1 285.388 -0.469 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)CC[N@H+]1C ZINC000648838596 419810637 /nfs/dbraw/zinc/81/06/37/419810637.db2.gz PMHKKQFDAVOKMI-NQBHXWOUSA-N 2 1 257.378 -0.245 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]CC2(C)C)C1 ZINC000649273363 419858846 /nfs/dbraw/zinc/85/88/46/419858846.db2.gz FOMNPKRAPVZMER-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]CC2(C)C)C1 ZINC000649273363 419858853 /nfs/dbraw/zinc/85/88/53/419858853.db2.gz FOMNPKRAPVZMER-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000649070055 419831266 /nfs/dbraw/zinc/83/12/66/419831266.db2.gz GPUJFHJMYRWWRE-NWDGAFQWSA-N 2 1 282.388 -0.484 20 0 CBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CCC[N@H+]1C ZINC000649076016 419834764 /nfs/dbraw/zinc/83/47/64/419834764.db2.gz OPQQHPCSCXOYMU-VXGBXAGGSA-N 2 1 282.388 -0.341 20 0 CBADMP NC(=O)c1c[nH+]ccc1NCCC[NH+]1CCC(O)CC1 ZINC000663401838 419836517 /nfs/dbraw/zinc/83/65/17/419836517.db2.gz AJXIWKYWOUWJPS-UHFFFAOYSA-N 2 1 278.356 -0.139 20 0 CBADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CCC[N@H+]1C ZINC000649076014 419836687 /nfs/dbraw/zinc/83/66/87/419836687.db2.gz OPQQHPCSCXOYMU-NWDGAFQWSA-N 2 1 282.388 -0.341 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649077476 419837254 /nfs/dbraw/zinc/83/72/54/419837254.db2.gz SSLVRRTXKYNGKF-GFCCVEGCSA-N 2 1 284.404 -0.095 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662963528 419796002 /nfs/dbraw/zinc/79/60/02/419796002.db2.gz UVCBWQPQCOBTQT-MQYJIDSJSA-N 2 1 294.399 -0.511 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000663894489 419866523 /nfs/dbraw/zinc/86/65/23/419866523.db2.gz CJJINKNTXYUZJT-RYUDHWBXSA-N 2 1 281.360 -0.492 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000649292421 419868348 /nfs/dbraw/zinc/86/83/48/419868348.db2.gz FZBFBYOFKAZJAE-GFCCVEGCSA-N 2 1 282.388 -0.735 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649299007 419871569 /nfs/dbraw/zinc/87/15/69/419871569.db2.gz SDUASJJUSQHDKK-UTUOFQBUSA-N 2 1 255.362 -0.179 20 0 CBADMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649306508 419874736 /nfs/dbraw/zinc/87/47/36/419874736.db2.gz WNHSEHAIYISYHN-FICVDOATSA-N 2 1 294.443 -0.158 20 0 CBADMP CCN(C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@H]1CC[N@@H+](C)C1 ZINC000664082231 419879454 /nfs/dbraw/zinc/87/94/54/419879454.db2.gz AFOBDJWCPVODPX-KBPBESRZSA-N 2 1 297.447 -0.032 20 0 CBADMP CCN(C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@H]1CC[NH+](C)C1 ZINC000664082231 419879461 /nfs/dbraw/zinc/87/94/61/419879461.db2.gz AFOBDJWCPVODPX-KBPBESRZSA-N 2 1 297.447 -0.032 20 0 CBADMP CCN(C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@H]1CC[NH+](C)C1 ZINC000664082231 419879467 /nfs/dbraw/zinc/87/94/67/419879467.db2.gz AFOBDJWCPVODPX-KBPBESRZSA-N 2 1 297.447 -0.032 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649318555 419879907 /nfs/dbraw/zinc/87/99/07/419879907.db2.gz VVDTYPJZYHTWPB-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP CCN(C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@@H+](C)C1 ZINC000664082234 419880264 /nfs/dbraw/zinc/88/02/64/419880264.db2.gz AFOBDJWCPVODPX-ZIAGYGMSSA-N 2 1 297.447 -0.032 20 0 CBADMP CCN(C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CC[NH+](C)C1 ZINC000664082234 419880269 /nfs/dbraw/zinc/88/02/69/419880269.db2.gz AFOBDJWCPVODPX-ZIAGYGMSSA-N 2 1 297.447 -0.032 20 0 CBADMP CCN(C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CC[NH+](C)C1 ZINC000664082234 419880273 /nfs/dbraw/zinc/88/02/73/419880273.db2.gz AFOBDJWCPVODPX-ZIAGYGMSSA-N 2 1 297.447 -0.032 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C[NH+]1CCOCC1 ZINC000649312423 419880208 /nfs/dbraw/zinc/88/02/08/419880208.db2.gz PASKXWRSPLOGSO-WUHRBBMRSA-N 2 1 267.373 -0.464 20 0 CBADMP COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCOCC[NH3+])C1 ZINC000357080756 419882254 /nfs/dbraw/zinc/88/22/54/419882254.db2.gz NDARLDRIBRVMOX-STQMWFEESA-N 2 1 287.404 -0.175 20 0 CBADMP O=C([C@H]1CC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649321149 419884059 /nfs/dbraw/zinc/88/40/59/419884059.db2.gz MZNQJRMKXAGALN-IJLUTSLNSA-N 2 1 253.346 -0.594 20 0 CBADMP O=C(C[NH2+]C1CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649320883 419884946 /nfs/dbraw/zinc/88/49/46/419884946.db2.gz DEZLHHGCCLBILA-OLZOCXBDSA-N 2 1 267.373 -0.204 20 0 CBADMP C[C@H]1C[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000664219554 419889299 /nfs/dbraw/zinc/88/92/99/419889299.db2.gz RPXWAOMUQYKLFE-RNJOBUHISA-N 2 1 284.404 -0.215 20 0 CBADMP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000649335673 419894885 /nfs/dbraw/zinc/89/48/85/419894885.db2.gz RBAQGJRMAPZERX-HZSPNIEDSA-N 2 1 296.415 -0.754 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649340393 419895206 /nfs/dbraw/zinc/89/52/06/419895206.db2.gz VVTSSADQUCSCDF-UTUOFQBUSA-N 2 1 255.362 -0.179 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649283051 419862155 /nfs/dbraw/zinc/86/21/55/419862155.db2.gz CQEQSRHZKICQGV-GDNZZTSVSA-N 2 1 253.346 -0.758 20 0 CBADMP CCC[N@@H+]1CC[C@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000666920412 544649557 /nfs/dbraw/zinc/64/95/57/544649557.db2.gz VQACTSSCYPQTAR-GXTWGEPZSA-N 2 1 296.415 -0.069 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000666920412 544649559 /nfs/dbraw/zinc/64/95/59/544649559.db2.gz VQACTSSCYPQTAR-GXTWGEPZSA-N 2 1 296.415 -0.069 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000666920412 544649564 /nfs/dbraw/zinc/64/95/64/544649564.db2.gz VQACTSSCYPQTAR-GXTWGEPZSA-N 2 1 296.415 -0.069 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000666920412 544649565 /nfs/dbraw/zinc/64/95/65/544649565.db2.gz VQACTSSCYPQTAR-GXTWGEPZSA-N 2 1 296.415 -0.069 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000666923992 544650560 /nfs/dbraw/zinc/65/05/60/544650560.db2.gz WJUDCGLLQYRVDM-TZMCWYRMSA-N 2 1 284.404 -0.164 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000666923992 544650561 /nfs/dbraw/zinc/65/05/61/544650561.db2.gz WJUDCGLLQYRVDM-TZMCWYRMSA-N 2 1 284.404 -0.164 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000666923992 544650562 /nfs/dbraw/zinc/65/05/62/544650562.db2.gz WJUDCGLLQYRVDM-TZMCWYRMSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H](C[NH+](C)C)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000358523518 419899339 /nfs/dbraw/zinc/89/93/39/419899339.db2.gz LOWGTAPAWRHPIC-NEPJUHHUSA-N 2 1 299.419 -0.425 20 0 CBADMP Cn1c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc(=O)n(C)c1=O ZINC000358517864 419900424 /nfs/dbraw/zinc/90/04/24/419900424.db2.gz PUKJGLWXZFPENZ-UHFFFAOYSA-N 2 1 292.383 -0.341 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649343262 419901232 /nfs/dbraw/zinc/90/12/32/419901232.db2.gz SUAOIJCZSUVKMF-UPJWGTAASA-N 2 1 294.399 -0.641 20 0 CBADMP Cc1ncc(C[N@H+](C)C[C@H](O)CN2CCOCC2)n1C ZINC000667659516 544668870 /nfs/dbraw/zinc/66/88/70/544668870.db2.gz JGIXDRUWRCPEPY-AWEZNQCLSA-N 2 1 282.388 -0.147 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000358545696 419902519 /nfs/dbraw/zinc/90/25/19/419902519.db2.gz ZPFBGMNFEFXSKD-ZDUSSCGKSA-N 2 1 284.404 -0.800 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)CN1CC[NH+](C)CC1 ZINC000649351267 419904372 /nfs/dbraw/zinc/90/43/72/419904372.db2.gz DSZYAFPGRJVQLO-DGAVXFQQSA-N 2 1 280.416 -0.264 20 0 CBADMP CCC[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@H+]1CCOC ZINC000649379158 419907603 /nfs/dbraw/zinc/90/76/03/419907603.db2.gz OCMXOENZMMNAAD-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP OCC[N@H+](CCN1CCOCC1)C[C@H]1CC[NH2+]C1 ZINC000649411816 419909370 /nfs/dbraw/zinc/90/93/70/419909370.db2.gz FBPBBGMIBRQDHD-ZDUSSCGKSA-N 2 1 257.378 -0.778 20 0 CBADMP OCC[N@@H+](CCN1CCOCC1)C[C@H]1CC[NH2+]C1 ZINC000649411816 419909373 /nfs/dbraw/zinc/90/93/73/419909373.db2.gz FBPBBGMIBRQDHD-ZDUSSCGKSA-N 2 1 257.378 -0.778 20 0 CBADMP OCC[N@H+](CCN1CCOCC1)C[C@@H]1CC[NH2+]C1 ZINC000649411815 419909448 /nfs/dbraw/zinc/90/94/48/419909448.db2.gz FBPBBGMIBRQDHD-CYBMUJFWSA-N 2 1 257.378 -0.778 20 0 CBADMP OCC[N@@H+](CCN1CCOCC1)C[C@@H]1CC[NH2+]C1 ZINC000649411815 419909452 /nfs/dbraw/zinc/90/94/52/419909452.db2.gz FBPBBGMIBRQDHD-CYBMUJFWSA-N 2 1 257.378 -0.778 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000668362328 544696331 /nfs/dbraw/zinc/69/63/31/544696331.db2.gz WNWBMVHEBIWCCO-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C(=O)NCC[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000358699991 419912852 /nfs/dbraw/zinc/91/28/52/419912852.db2.gz WUUUCGSHFBQGAK-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP COCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CC2)C1 ZINC000668435665 544702586 /nfs/dbraw/zinc/70/25/86/544702586.db2.gz LGMZDQJFKCHIAH-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CC2)C1 ZINC000668435665 544702587 /nfs/dbraw/zinc/70/25/87/544702587.db2.gz LGMZDQJFKCHIAH-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)NCC[NH2+]C1CC1 ZINC000668508856 544704703 /nfs/dbraw/zinc/70/47/03/544704703.db2.gz UUYJXWBIIOOSAN-UHFFFAOYSA-N 2 1 270.377 -0.240 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000358728610 419914243 /nfs/dbraw/zinc/91/42/43/419914243.db2.gz YIQSJFKHGHIETM-MBNYWOFBSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000358728610 419914245 /nfs/dbraw/zinc/91/42/45/419914245.db2.gz YIQSJFKHGHIETM-MBNYWOFBSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000358728610 419914256 /nfs/dbraw/zinc/91/42/56/419914256.db2.gz YIQSJFKHGHIETM-MBNYWOFBSA-N 2 1 284.404 -0.165 20 0 CBADMP CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000668670165 544713956 /nfs/dbraw/zinc/71/39/56/544713956.db2.gz IFWBXIWNANNJKU-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000668670164 544714658 /nfs/dbraw/zinc/71/46/58/544714658.db2.gz IFWBXIWNANNJKU-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000669402971 544748345 /nfs/dbraw/zinc/74/83/45/544748345.db2.gz CIXINTDQOLKEJE-KGLIPLIRSA-N 2 1 295.431 -0.230 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000669403221 544749739 /nfs/dbraw/zinc/74/97/39/544749739.db2.gz OZAHQYUSQNQPEQ-TUAOUCFPSA-N 2 1 252.362 -0.059 20 0 CBADMP C[C@H](NC(=O)NCC[NH2+]C1CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538183 544752459 /nfs/dbraw/zinc/75/24/59/544752459.db2.gz CUGGJUIDDFBNLH-JQWIXIFHSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](NC(=O)NCC[NH2+]C1CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538183 544752461 /nfs/dbraw/zinc/75/24/61/544752461.db2.gz CUGGJUIDDFBNLH-JQWIXIFHSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@@H](NC(=O)NCC1([NH3+])CCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538276 544753132 /nfs/dbraw/zinc/75/31/32/544753132.db2.gz HWRKJHJITIGAGC-MNOVXSKESA-N 2 1 270.377 -0.114 20 0 CBADMP C[C@@H](NC(=O)NCC1([NH3+])CCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538276 544753133 /nfs/dbraw/zinc/75/31/33/544753133.db2.gz HWRKJHJITIGAGC-MNOVXSKESA-N 2 1 270.377 -0.114 20 0 CBADMP C[C@H](NC(=O)N(C)C1CC([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538343 544754530 /nfs/dbraw/zinc/75/45/30/544754530.db2.gz MLYZRNQRIMFFFB-XKGSQUFQSA-N 2 1 270.377 -0.163 20 0 CBADMP C[C@H](NC(=O)N(C)C1CC([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538343 544754532 /nfs/dbraw/zinc/75/45/32/544754532.db2.gz MLYZRNQRIMFFFB-XKGSQUFQSA-N 2 1 270.377 -0.163 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292094 419938161 /nfs/dbraw/zinc/93/81/61/419938161.db2.gz SGSIAIJWVHLORH-PSASIEDQSA-N 2 1 251.334 -0.319 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359307697 419956218 /nfs/dbraw/zinc/95/62/18/419956218.db2.gz NYLNLXSQCBIMLC-MCIONIFRSA-N 3 1 280.416 -0.310 20 0 CBADMP CC[NH+]1CCC(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000650569847 419961454 /nfs/dbraw/zinc/96/14/54/419961454.db2.gz HLXBQMKKJWGKLD-CQSZACIVSA-N 2 1 296.415 -0.069 20 0 CBADMP CC[NH+]1CCC(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000650569847 419961459 /nfs/dbraw/zinc/96/14/59/419961459.db2.gz HLXBQMKKJWGKLD-CQSZACIVSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000651137959 419986977 /nfs/dbraw/zinc/98/69/77/419986977.db2.gz TXZBKOCHVZCNLP-CMPLNLGQSA-N 2 1 270.377 -0.603 20 0 CBADMP C[C@@H](CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000651137959 419986985 /nfs/dbraw/zinc/98/69/85/419986985.db2.gz TXZBKOCHVZCNLP-CMPLNLGQSA-N 2 1 270.377 -0.603 20 0 CBADMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CNC(=O)C[NH3+] ZINC000364223955 420031081 /nfs/dbraw/zinc/03/10/81/420031081.db2.gz BVGQNALPFOFJKH-GHMZBOCLSA-N 2 1 268.361 -0.854 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652232176 420053942 /nfs/dbraw/zinc/05/39/42/420053942.db2.gz SIDNSOHIGVSQJN-GFCCVEGCSA-N 2 1 284.404 -0.177 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652232176 420053944 /nfs/dbraw/zinc/05/39/44/420053944.db2.gz SIDNSOHIGVSQJN-GFCCVEGCSA-N 2 1 284.404 -0.177 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[N@@H+]1CCOC ZINC000365088992 420054179 /nfs/dbraw/zinc/05/41/79/420054179.db2.gz GIFJVUQPPXMUKY-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[N@H+]1CCOC ZINC000365088992 420054183 /nfs/dbraw/zinc/05/41/83/420054183.db2.gz GIFJVUQPPXMUKY-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)[C@H]1COCC[NH2+]1)C2 ZINC000365094874 420055324 /nfs/dbraw/zinc/05/53/24/420055324.db2.gz PIEVYJFJOZRULO-WZRBSPASSA-N 2 1 253.346 -0.295 20 0 CBADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000652341750 420057076 /nfs/dbraw/zinc/05/70/76/420057076.db2.gz MVJKYOWUDKXZHX-MNOVXSKESA-N 2 1 297.321 -0.043 20 0 CBADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000652341750 420057079 /nfs/dbraw/zinc/05/70/79/420057079.db2.gz MVJKYOWUDKXZHX-MNOVXSKESA-N 2 1 297.321 -0.043 20 0 CBADMP COCC[NH2+]C1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000652345060 420059196 /nfs/dbraw/zinc/05/91/96/420059196.db2.gz RUWSJEHIPLCHSX-UHFFFAOYSA-N 2 1 299.415 -0.064 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000366932201 420095525 /nfs/dbraw/zinc/09/55/25/420095525.db2.gz JRUIZSBYVSCMMF-RVMXOQNASA-N 2 1 267.373 -0.443 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000652889063 420096724 /nfs/dbraw/zinc/09/67/24/420096724.db2.gz FKZYYHNCWDIIOM-ZYHUDNBSSA-N 2 1 253.346 -0.785 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000652889063 420096729 /nfs/dbraw/zinc/09/67/29/420096729.db2.gz FKZYYHNCWDIIOM-ZYHUDNBSSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000652889063 420096732 /nfs/dbraw/zinc/09/67/32/420096732.db2.gz FKZYYHNCWDIIOM-ZYHUDNBSSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000652889063 420096736 /nfs/dbraw/zinc/09/67/36/420096736.db2.gz FKZYYHNCWDIIOM-ZYHUDNBSSA-N 2 1 253.346 -0.785 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000367407624 420105321 /nfs/dbraw/zinc/10/53/21/420105321.db2.gz IIAZKAHJOJRCJD-CYBMUJFWSA-N 2 1 268.405 -0.167 20 0 CBADMP COC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000367607816 420111261 /nfs/dbraw/zinc/11/12/61/420111261.db2.gz PJNZFXIQDOLKMW-UTUOFQBUSA-N 2 1 271.361 -0.670 20 0 CBADMP COC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000367607816 420111265 /nfs/dbraw/zinc/11/12/65/420111265.db2.gz PJNZFXIQDOLKMW-UTUOFQBUSA-N 2 1 271.361 -0.670 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)CC(F)(F)C[NH3+])CCO1 ZINC000653055598 420111649 /nfs/dbraw/zinc/11/16/49/420111649.db2.gz HUYDXUBUHVOYNU-YUMQZZPRSA-N 2 1 251.277 -0.455 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC([NH+](C)C)C2)C1 ZINC000367920459 420116492 /nfs/dbraw/zinc/11/64/92/420116492.db2.gz IJNILDLJQOHTCR-GFCCVEGCSA-N 2 1 255.362 -0.132 20 0 CBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653112586 420116682 /nfs/dbraw/zinc/11/66/82/420116682.db2.gz CLKDGBLJAFYSMI-MJVIPROJSA-N 2 1 265.357 -0.425 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110420 420117127 /nfs/dbraw/zinc/11/71/27/420117127.db2.gz IFZQUBOIUHXKAZ-HUBLWGQQSA-N 2 1 279.384 -0.177 20 0 CBADMP O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000367832908 420117308 /nfs/dbraw/zinc/11/73/08/420117308.db2.gz RUBRBEWNCBJCFC-CABCVRRESA-N 2 1 289.379 -0.043 20 0 CBADMP C[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000653114767 420119253 /nfs/dbraw/zinc/11/92/53/420119253.db2.gz WCDJVUIZGMBRAX-STQMWFEESA-N 2 1 286.420 -0.650 20 0 CBADMP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000653117415 420119720 /nfs/dbraw/zinc/11/97/20/420119720.db2.gz LFGNDUNMACXJOC-LNSITVRQSA-N 2 1 279.384 -0.083 20 0 CBADMP O=C(N1CC[NH+](C2CCC2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653120403 420120146 /nfs/dbraw/zinc/12/01/46/420120146.db2.gz PXZNWIANZDIWMT-WFASDCNBSA-N 2 1 279.384 -0.081 20 0 CBADMP C[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000653116706 420120552 /nfs/dbraw/zinc/12/05/52/420120552.db2.gz PLPJSUFOPJTFJB-CMPLNLGQSA-N 2 1 256.394 -0.136 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653144147 420123485 /nfs/dbraw/zinc/12/34/85/420123485.db2.gz FAIVGKUARPAFFK-UHTWSYAYSA-N 2 1 271.336 -0.618 20 0 CBADMP C[NH+](C)CCOCCNC(=O)CC(F)(F)C[NH3+] ZINC000653152896 420125188 /nfs/dbraw/zinc/12/51/88/420125188.db2.gz ANMBINGXMKOWHU-UHFFFAOYSA-N 2 1 253.293 -0.335 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)CNC(=O)C[NH3+] ZINC000653175811 420126815 /nfs/dbraw/zinc/12/68/15/420126815.db2.gz BQUMUFUNCTXIKD-UHFFFAOYSA-N 2 1 258.366 -0.845 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000368372931 420130191 /nfs/dbraw/zinc/13/01/91/420130191.db2.gz DBMDQOOSNPSRND-VXGBXAGGSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000368372931 420130193 /nfs/dbraw/zinc/13/01/93/420130193.db2.gz DBMDQOOSNPSRND-VXGBXAGGSA-N 2 1 267.373 -0.035 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000368457174 420133344 /nfs/dbraw/zinc/13/33/44/420133344.db2.gz HETUEMNSBCZSOI-AWEZNQCLSA-N 2 1 298.431 -0.541 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000368571909 420136469 /nfs/dbraw/zinc/13/64/69/420136469.db2.gz IAKYFLPJFQYLOC-AWEZNQCLSA-N 2 1 296.415 -0.785 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000368571909 420136472 /nfs/dbraw/zinc/13/64/72/420136472.db2.gz IAKYFLPJFQYLOC-AWEZNQCLSA-N 2 1 296.415 -0.785 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H](NC[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000653285115 420137206 /nfs/dbraw/zinc/13/72/06/420137206.db2.gz DFNKTIYDEQQAKA-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCC[C@H]2CO)C1=O ZINC000653285636 420137640 /nfs/dbraw/zinc/13/76/40/420137640.db2.gz UKXLBMGKOCBUSV-QWRGUYRKSA-N 2 1 269.345 -0.868 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000652696704 420074210 /nfs/dbraw/zinc/07/42/10/420074210.db2.gz PEJBHCDWHJMNIX-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000652699349 420074346 /nfs/dbraw/zinc/07/43/46/420074346.db2.gz VZRBJJWKEGTZJU-LBPRGKRZSA-N 2 1 286.420 -0.209 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000652699348 420074444 /nfs/dbraw/zinc/07/44/44/420074444.db2.gz VZRBJJWKEGTZJU-GFCCVEGCSA-N 2 1 286.420 -0.209 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@H+]1C ZINC000652733192 420079024 /nfs/dbraw/zinc/07/90/24/420079024.db2.gz AYAYTGNQGZHDFV-CHWSQXEVSA-N 2 1 296.415 -0.441 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1=O ZINC000652735103 420079743 /nfs/dbraw/zinc/07/97/43/420079743.db2.gz BUJKIDBXUGGEMY-GFCCVEGCSA-N 2 1 282.388 -0.687 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652888375 420093248 /nfs/dbraw/zinc/09/32/48/420093248.db2.gz FNAVYAKEIWXAEP-GFCCVEGCSA-N 2 1 255.362 -0.396 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652888375 420093251 /nfs/dbraw/zinc/09/32/51/420093251.db2.gz FNAVYAKEIWXAEP-GFCCVEGCSA-N 2 1 255.362 -0.396 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888375 420093253 /nfs/dbraw/zinc/09/32/53/420093253.db2.gz FNAVYAKEIWXAEP-GFCCVEGCSA-N 2 1 255.362 -0.396 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888375 420093257 /nfs/dbraw/zinc/09/32/57/420093257.db2.gz FNAVYAKEIWXAEP-GFCCVEGCSA-N 2 1 255.362 -0.396 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000654662451 420188393 /nfs/dbraw/zinc/18/83/93/420188393.db2.gz OVPOERDDPUQQGQ-SCRDCRAPSA-N 2 1 284.404 -0.308 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000380574169 420197890 /nfs/dbraw/zinc/19/78/90/420197890.db2.gz UTVGTTQDYNRDGD-ZDUSSCGKSA-N 2 1 283.376 -0.531 20 0 CBADMP CC[C@@H]([NH3+])c1cn(C[C@@H](O)C[N@@H+](C)CCOC)nn1 ZINC000388776475 420204223 /nfs/dbraw/zinc/20/42/23/420204223.db2.gz MPJAQGATCMHSNM-WDEREUQCSA-N 2 1 271.365 -0.373 20 0 CBADMP C[C@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000388499582 420204815 /nfs/dbraw/zinc/20/48/15/420204815.db2.gz GZCROELXQVFQJI-PWSUYJOCSA-N 2 1 291.417 -0.623 20 0 CBADMP C[NH2+][C@H](C)c1cn(C[C@H](O)C[N@@H+](C)CCOC)nn1 ZINC000388647224 420205416 /nfs/dbraw/zinc/20/54/16/420205416.db2.gz YUTCKWZHKNZVFU-GHMZBOCLSA-N 2 1 271.365 -0.502 20 0 CBADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000397377724 420214483 /nfs/dbraw/zinc/21/44/83/420214483.db2.gz JDBYACBHKJIUNH-KXUCPTDWSA-N 2 1 256.350 -0.123 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@H]1CCc2nccn2C1 ZINC000368964976 420146574 /nfs/dbraw/zinc/14/65/74/420146574.db2.gz IIWUISMDLIBSLL-LBPRGKRZSA-N 2 1 280.372 -0.124 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CC(N)=O)C1 ZINC000653563593 420149228 /nfs/dbraw/zinc/14/92/28/420149228.db2.gz UQAZWESICTYGRR-NEPJUHHUSA-N 2 1 257.378 -0.114 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000653563593 420149233 /nfs/dbraw/zinc/14/92/33/420149233.db2.gz UQAZWESICTYGRR-NEPJUHHUSA-N 2 1 257.378 -0.114 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000653563593 420149237 /nfs/dbraw/zinc/14/92/37/420149237.db2.gz UQAZWESICTYGRR-NEPJUHHUSA-N 2 1 257.378 -0.114 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000653542039 420150536 /nfs/dbraw/zinc/15/05/36/420150536.db2.gz DKRNQNAYSUFCKG-RRFJBIMHSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C(C)(C)CO)CC1 ZINC000653580209 420150663 /nfs/dbraw/zinc/15/06/63/420150663.db2.gz CTUUKTQVUFKFNC-CYBMUJFWSA-N 2 1 273.421 -0.313 20 0 CBADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654444882 420179339 /nfs/dbraw/zinc/17/93/39/420179339.db2.gz FGPWORXHTAQAJX-FPMFFAJLSA-N 2 1 294.399 -0.317 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654444882 420179345 /nfs/dbraw/zinc/17/93/45/420179345.db2.gz FGPWORXHTAQAJX-FPMFFAJLSA-N 2 1 294.399 -0.317 20 0 CBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654444882 420179349 /nfs/dbraw/zinc/17/93/49/420179349.db2.gz FGPWORXHTAQAJX-FPMFFAJLSA-N 2 1 294.399 -0.317 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000401912161 420221616 /nfs/dbraw/zinc/22/16/16/420221616.db2.gz ULPBZGJVDXMIPB-RWMBFGLXSA-N 2 1 260.378 -0.229 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H](O)CC[C@@H]1C ZINC000401912161 420221620 /nfs/dbraw/zinc/22/16/20/420221620.db2.gz ULPBZGJVDXMIPB-RWMBFGLXSA-N 2 1 260.378 -0.229 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H](O)CC[C@@H]1C ZINC000401912161 420221623 /nfs/dbraw/zinc/22/16/23/420221623.db2.gz ULPBZGJVDXMIPB-RWMBFGLXSA-N 2 1 260.378 -0.229 20 0 CBADMP Cc1[nH+]ccn1CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405297334 420226845 /nfs/dbraw/zinc/22/68/45/420226845.db2.gz HSVNNEBWKDXENU-QWHCGFSZSA-N 2 1 250.346 -0.058 20 0 CBADMP Cc1[nH+]ccn1CCN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405297334 420226848 /nfs/dbraw/zinc/22/68/48/420226848.db2.gz HSVNNEBWKDXENU-QWHCGFSZSA-N 2 1 250.346 -0.058 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407234006 420228363 /nfs/dbraw/zinc/22/83/63/420228363.db2.gz AOEKBVQKNZTREA-HZSPNIEDSA-N 2 1 280.416 -0.121 20 0 CBADMP C[NH+]1CCC(CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000655295251 420238890 /nfs/dbraw/zinc/23/88/90/420238890.db2.gz DIUBDANHAJHVNY-UONOGXRCSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655297999 420241159 /nfs/dbraw/zinc/24/11/59/420241159.db2.gz ZDLWBCSQEQSOQR-QJPTWQEYSA-N 2 1 253.346 -0.642 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297999 420241162 /nfs/dbraw/zinc/24/11/62/420241162.db2.gz ZDLWBCSQEQSOQR-QJPTWQEYSA-N 2 1 253.346 -0.642 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297999 420241165 /nfs/dbraw/zinc/24/11/65/420241165.db2.gz ZDLWBCSQEQSOQR-QJPTWQEYSA-N 2 1 253.346 -0.642 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418594158 420241324 /nfs/dbraw/zinc/24/13/24/420241324.db2.gz WFGOQHMFCSTJNV-RWMBFGLXSA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418578839 420241508 /nfs/dbraw/zinc/24/15/08/420241508.db2.gz JLNRSEJWEDNMAG-FRRDWIJNSA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418578839 420241512 /nfs/dbraw/zinc/24/15/12/420241512.db2.gz JLNRSEJWEDNMAG-FRRDWIJNSA-N 2 1 284.404 -0.036 20 0 CBADMP CC(C)[C@@H](CNC(=O)NCC[NH3+])[NH+]1CCOCC1 ZINC000416934719 420242079 /nfs/dbraw/zinc/24/20/79/420242079.db2.gz FBDDHEPRHVEALT-LLVKDONJSA-N 2 1 258.366 -0.399 20 0 CBADMP CC[NH2+]CCNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000418313498 420242253 /nfs/dbraw/zinc/24/22/53/420242253.db2.gz BZROIVFENCFOKR-TXEJJXNPSA-N 2 1 272.393 -0.308 20 0 CBADMP Cc1ccc(NCCCNC(=O)N(CC[NH3+])CCO)[nH+]c1 ZINC000417070734 420242404 /nfs/dbraw/zinc/24/24/04/420242404.db2.gz VSBWXHRCNMRFEC-UHFFFAOYSA-N 2 1 295.387 0.155 20 0 CBADMP Cc1ccc(NCCCNC(=O)C(=O)N(C)CC[NH3+])[nH+]c1 ZINC000419092288 420244249 /nfs/dbraw/zinc/24/42/49/420244249.db2.gz HMLJEIZKZSLEIJ-UHFFFAOYSA-N 2 1 293.371 -0.275 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC[N@H+]1C ZINC000419556950 420244763 /nfs/dbraw/zinc/24/47/63/420244763.db2.gz LMMUGOPPUVRJKR-LOWDOPEQSA-N 2 1 294.399 -0.594 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC[N@@H+]1C ZINC000419855545 420245049 /nfs/dbraw/zinc/24/50/49/420245049.db2.gz CXYRWOCFLGWKAW-QWHCGFSZSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC[N@H+]1C ZINC000419855545 420245055 /nfs/dbraw/zinc/24/50/55/420245055.db2.gz CXYRWOCFLGWKAW-QWHCGFSZSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000419582136 420245107 /nfs/dbraw/zinc/24/51/07/420245107.db2.gz JEFWNJCXPONDRB-GRYCIOLGSA-N 2 1 296.415 -0.029 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419739843 420245280 /nfs/dbraw/zinc/24/52/80/420245280.db2.gz WSUULNJDVCALIC-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000419767575 420245711 /nfs/dbraw/zinc/24/57/11/420245711.db2.gz BZYSZWYNWQHDAK-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419701226 420246338 /nfs/dbraw/zinc/24/63/38/420246338.db2.gz YVTOBNHJDAMOBI-LLVKDONJSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000420135568 420247729 /nfs/dbraw/zinc/24/77/29/420247729.db2.gz DXYPFKUVCYZCAO-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488056 420255296 /nfs/dbraw/zinc/25/52/96/420255296.db2.gz RZSKUFFINVTGDR-YIYPIFLZSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488056 420255302 /nfs/dbraw/zinc/25/53/02/420255302.db2.gz RZSKUFFINVTGDR-YIYPIFLZSA-N 2 1 299.415 -0.021 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000423361369 420255931 /nfs/dbraw/zinc/25/59/31/420255931.db2.gz RUOBGZZVLNYAAL-LBPRGKRZSA-N 2 1 284.404 -0.537 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000423361369 420255935 /nfs/dbraw/zinc/25/59/35/420255935.db2.gz RUOBGZZVLNYAAL-LBPRGKRZSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC000423731812 420257093 /nfs/dbraw/zinc/25/70/93/420257093.db2.gz YNHMLNVMYLWGMT-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000423744695 420257593 /nfs/dbraw/zinc/25/75/93/420257593.db2.gz WLCJQXHHCOBQKE-FRRDWIJNSA-N 2 1 267.373 -0.084 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000423744695 420257596 /nfs/dbraw/zinc/25/75/96/420257596.db2.gz WLCJQXHHCOBQKE-FRRDWIJNSA-N 2 1 267.373 -0.084 20 0 CBADMP Cc1ccc(NCCCNC(=O)COC2C[NH2+]C2)[nH+]c1 ZINC000430804900 420273370 /nfs/dbraw/zinc/27/33/70/420273370.db2.gz GUTBJZQTQBEZQN-UHFFFAOYSA-N 2 1 278.356 0.297 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655923686 420279212 /nfs/dbraw/zinc/27/92/12/420279212.db2.gz BICUMWUJFJFQIH-APPZFPTMSA-N 2 1 284.282 -0.758 20 0 CBADMP CC(C)NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436062202 420281093 /nfs/dbraw/zinc/28/10/93/420281093.db2.gz VKFSRWOPQVHODP-LBPRGKRZSA-N 2 1 284.404 -0.170 20 0 CBADMP CC(C)NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436062202 420281100 /nfs/dbraw/zinc/28/11/00/420281100.db2.gz VKFSRWOPQVHODP-LBPRGKRZSA-N 2 1 284.404 -0.170 20 0 CBADMP [NH3+]C[C@H](NC(=O)NCC[N@H+]1CCCOCC1)C(F)(F)F ZINC000655929600 420281309 /nfs/dbraw/zinc/28/13/09/420281309.db2.gz VPJPCMLCDGGCIU-VIFPVBQESA-N 2 1 298.309 -0.103 20 0 CBADMP O=C(N[C@@H]1CCC[NH2+]C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963618 420282432 /nfs/dbraw/zinc/28/24/32/420282432.db2.gz KBXJSCZEYMPARK-GRYCIOLGSA-N 2 1 268.361 -0.801 20 0 CBADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655968910 420285205 /nfs/dbraw/zinc/28/52/05/420285205.db2.gz AWRCOBSCEDGSDN-MROQNXINSA-N 2 1 282.388 -0.426 20 0 CBADMP C[C@H]1C[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC000655967024 420285339 /nfs/dbraw/zinc/28/53/39/420285339.db2.gz KRMQVCHBISJGBI-QNWHQSFQSA-N 2 1 282.388 -0.413 20 0 CBADMP [NH3+]CCCCn1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000656438863 420309970 /nfs/dbraw/zinc/30/99/70/420309970.db2.gz CYGKNTHDIAFHOV-LBPRGKRZSA-N 2 1 253.350 -0.026 20 0 CBADMP [NH3+]CCCCn1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000656438863 420309974 /nfs/dbraw/zinc/30/99/74/420309974.db2.gz CYGKNTHDIAFHOV-LBPRGKRZSA-N 2 1 253.350 -0.026 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+](C)C[C@@H]2COCCO2)C1=O ZINC000656480209 420311901 /nfs/dbraw/zinc/31/19/01/420311901.db2.gz YCAHVYABUNSVEV-VXGBXAGGSA-N 2 1 299.371 -0.977 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+](C)C[C@@H]2COCCO2)C1=O ZINC000656480209 420311904 /nfs/dbraw/zinc/31/19/04/420311904.db2.gz YCAHVYABUNSVEV-VXGBXAGGSA-N 2 1 299.371 -0.977 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+](C)CC2=CCCOC2)C1=O ZINC000656477501 420312407 /nfs/dbraw/zinc/31/24/07/420312407.db2.gz IAOIPMBNBGNESH-ZDUSSCGKSA-N 2 1 295.383 -0.046 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+](C)CC2=CCCOC2)C1=O ZINC000656477501 420312411 /nfs/dbraw/zinc/31/24/11/420312411.db2.gz IAOIPMBNBGNESH-ZDUSSCGKSA-N 2 1 295.383 -0.046 20 0 CBADMP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC000656792522 420322254 /nfs/dbraw/zinc/32/22/54/420322254.db2.gz RVXZSFLHTPWTQP-XQQFMLRXSA-N 2 1 288.413 -0.270 20 0 CBADMP C[C@@H](Cn1cncn1)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000657873048 420363729 /nfs/dbraw/zinc/36/37/29/420363729.db2.gz QXLANAYGROFRPD-STQMWFEESA-N 2 1 294.403 -0.156 20 0 CBADMP O=C1NC[C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCN2C1=O ZINC000516770653 420364236 /nfs/dbraw/zinc/36/42/36/420364236.db2.gz FWPMWCSGJPOCBR-LBPRGKRZSA-N 2 1 280.372 -0.981 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@H](CO)CN2CCOCC2)CC[N@H+]1C ZINC000508342522 420354067 /nfs/dbraw/zinc/35/40/67/420354067.db2.gz ZQLHGRWZSGAHGA-IHRRRGAJSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000444165317 420293336 /nfs/dbraw/zinc/29/33/36/420293336.db2.gz GMDWGOFNCGRLMS-IJLUTSLNSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000444165317 420293342 /nfs/dbraw/zinc/29/33/42/420293342.db2.gz GMDWGOFNCGRLMS-IJLUTSLNSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656023182 420293769 /nfs/dbraw/zinc/29/37/69/420293769.db2.gz XPQLARDNMVUCMF-WOPDTQHZSA-N 2 1 282.388 -0.417 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000517038635 420369423 /nfs/dbraw/zinc/36/94/23/420369423.db2.gz IPFQNKXNVHABBQ-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000517038635 420369428 /nfs/dbraw/zinc/36/94/28/420369428.db2.gz IPFQNKXNVHABBQ-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC([NH3+])C1 ZINC000517236073 420374808 /nfs/dbraw/zinc/37/48/08/420374808.db2.gz JBLZOXJNCBGJKG-UNXYVOJBSA-N 2 1 254.378 -0.395 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000517338034 420374821 /nfs/dbraw/zinc/37/48/21/420374821.db2.gz BEYFXGUMXGYHNI-BNOWGMLFSA-N 2 1 295.431 -0.328 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCC(OC)CC2)C1 ZINC000674324536 544904726 /nfs/dbraw/zinc/90/47/26/544904726.db2.gz FHNNAOHDESWRPD-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCC(OC)CC2)C1 ZINC000674324536 544904729 /nfs/dbraw/zinc/90/47/29/544904729.db2.gz FHNNAOHDESWRPD-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H](NC(=O)N(C)CC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676303607 544947793 /nfs/dbraw/zinc/94/77/93/544947793.db2.gz FUBOHWRJDAANOL-NWDGAFQWSA-N 2 1 272.393 -0.092 20 0 CBADMP C[C@H](NC(=O)N(C)CC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676303607 544947796 /nfs/dbraw/zinc/94/77/96/544947796.db2.gz FUBOHWRJDAANOL-NWDGAFQWSA-N 2 1 272.393 -0.092 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000674499001 544910084 /nfs/dbraw/zinc/91/00/84/544910084.db2.gz ZSHIFJLJTXGQPL-OKILXGFUSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000674499001 544910088 /nfs/dbraw/zinc/91/00/88/544910088.db2.gz ZSHIFJLJTXGQPL-OKILXGFUSA-N 2 1 299.415 -0.597 20 0 CBADMP C[NH+](C)C[C@H]1CCCN1C(=O)CN1CC[NH+](C)CC1 ZINC000674921008 544921863 /nfs/dbraw/zinc/92/18/63/544921863.db2.gz VNDFATGRHQBFBM-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CN1CC[NH+](C)CC1 ZINC000675146128 544928644 /nfs/dbraw/zinc/92/86/44/544928644.db2.gz GAKWBAMLJUSEFB-TZMCWYRMSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CN1CC[NH+](C)CC1 ZINC000675146128 544928647 /nfs/dbraw/zinc/92/86/47/544928647.db2.gz GAKWBAMLJUSEFB-TZMCWYRMSA-N 2 1 280.416 -0.167 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000677868606 544987991 /nfs/dbraw/zinc/98/79/91/544987991.db2.gz JDGFAUPQIFTGJC-OLZOCXBDSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000677868606 544987995 /nfs/dbraw/zinc/98/79/95/544987995.db2.gz JDGFAUPQIFTGJC-OLZOCXBDSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000677868606 544987999 /nfs/dbraw/zinc/98/79/99/544987999.db2.gz JDGFAUPQIFTGJC-OLZOCXBDSA-N 2 1 266.389 -0.413 20 0 CBADMP [NH3+][C@@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)CC[C@H]1F ZINC000659496563 420424394 /nfs/dbraw/zinc/42/43/94/420424394.db2.gz RNXCSIPNJPITNF-VXGBXAGGSA-N 2 1 288.367 -0.211 20 0 CBADMP C[C@@H](NC(=O)N1CC2CC1(C[NH3+])C2)[C@H]1C[N@H+](C)CCO1 ZINC000659470302 420421917 /nfs/dbraw/zinc/42/19/17/420421917.db2.gz ACWYKNURSMZIET-KTEZZQQRSA-N 2 1 282.388 -0.162 20 0 CBADMP C[C@@H](NC(=O)N1CC2CC1(C[NH3+])C2)[C@H]1C[N@@H+](C)CCO1 ZINC000659470302 420421920 /nfs/dbraw/zinc/42/19/20/420421920.db2.gz ACWYKNURSMZIET-KTEZZQQRSA-N 2 1 282.388 -0.162 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000659471325 420422114 /nfs/dbraw/zinc/42/21/14/420422114.db2.gz SVGJRFGYNJTKLM-DCAQKATOSA-N 2 1 258.366 -0.387 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000659471325 420422117 /nfs/dbraw/zinc/42/21/17/420422117.db2.gz SVGJRFGYNJTKLM-DCAQKATOSA-N 2 1 258.366 -0.387 20 0 CBADMP CC[N@@H+]1CCN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000677171611 544970025 /nfs/dbraw/zinc/97/00/25/544970025.db2.gz BRCNRPLZZCHZAQ-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+]1CCN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000677171611 544970029 /nfs/dbraw/zinc/97/00/29/544970029.db2.gz BRCNRPLZZCHZAQ-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC000174722211 230178684 /nfs/dbraw/zinc/17/86/84/230178684.db2.gz NUQITXHQACPVFF-LBPRGKRZSA-N 2 1 285.388 -0.456 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC000174722211 230178688 /nfs/dbraw/zinc/17/86/88/230178688.db2.gz NUQITXHQACPVFF-LBPRGKRZSA-N 2 1 285.388 -0.456 20 0 CBADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262565971 230191221 /nfs/dbraw/zinc/19/12/21/230191221.db2.gz XUQRUIYKXCNZLC-HUUCEWRRSA-N 2 1 289.379 -0.116 20 0 CBADMP O=C(NCC[N@H+]1CCc2ccccc2C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262565971 230191226 /nfs/dbraw/zinc/19/12/26/230191226.db2.gz XUQRUIYKXCNZLC-HUUCEWRRSA-N 2 1 289.379 -0.116 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)C1 ZINC000659567904 420435157 /nfs/dbraw/zinc/43/51/57/420435157.db2.gz GUFDGSSMRSPWOG-KBPBESRZSA-N 2 1 295.431 -0.230 20 0 CBADMP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000659613917 420437056 /nfs/dbraw/zinc/43/70/56/420437056.db2.gz OEEXBBBJHQBDJS-JVWICGRDSA-N 2 1 296.415 -0.116 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659608455 420437070 /nfs/dbraw/zinc/43/70/70/420437070.db2.gz DDKPIUVIICQNFF-RYUDHWBXSA-N 2 1 270.377 -0.160 20 0 CBADMP CN(C)C(=O)CN1CCN(CCCn2ccnc2)CC1 ZINC000678881904 545022022 /nfs/dbraw/zinc/02/20/22/545022022.db2.gz YYRYBKDXIWKXPU-UHFFFAOYSA-N 2 1 279.388 -0.021 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659552932 420432972 /nfs/dbraw/zinc/43/29/72/420432972.db2.gz GWEUOEOVIFGOPE-VXGBXAGGSA-N 2 1 270.377 -0.242 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000680827756 545040894 /nfs/dbraw/zinc/04/08/94/545040894.db2.gz LSLILCLCGWFOOF-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000680827756 545040895 /nfs/dbraw/zinc/04/08/95/545040895.db2.gz LSLILCLCGWFOOF-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000680827756 545040897 /nfs/dbraw/zinc/04/08/97/545040897.db2.gz LSLILCLCGWFOOF-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000680833513 545041178 /nfs/dbraw/zinc/04/11/78/545041178.db2.gz ZMTHAZRLPVZEIB-AAEUAGOBSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000680833513 545041179 /nfs/dbraw/zinc/04/11/79/545041179.db2.gz ZMTHAZRLPVZEIB-AAEUAGOBSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000680833513 545041180 /nfs/dbraw/zinc/04/11/80/545041180.db2.gz ZMTHAZRLPVZEIB-AAEUAGOBSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000659750508 420467573 /nfs/dbraw/zinc/46/75/73/420467573.db2.gz OOCZEVOVWYBDBJ-OLZOCXBDSA-N 2 1 298.431 -0.195 20 0 CBADMP CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000683230081 545063458 /nfs/dbraw/zinc/06/34/58/545063458.db2.gz UDLOJVBYKHGNLJ-NWDGAFQWSA-N 2 1 292.449 -0.109 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000659756711 420468870 /nfs/dbraw/zinc/46/88/70/420468870.db2.gz SHMYEPZSWVVAOO-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000659755708 420469345 /nfs/dbraw/zinc/46/93/45/420469345.db2.gz ZFNRNOQVQUBCHT-JQWIXIFHSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C[NH2+]C)[C@H](C)C1 ZINC000659756358 420469394 /nfs/dbraw/zinc/46/93/94/420469394.db2.gz QWDBZSJAGTWYKO-AGIUHOORSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000659610168 420437832 /nfs/dbraw/zinc/43/78/32/420437832.db2.gz LZWXNKUVNNYIFK-STQMWFEESA-N 2 1 283.420 -0.245 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000682568399 545058454 /nfs/dbraw/zinc/05/84/54/545058454.db2.gz FTKZGXLKZUFVAG-UHFFFAOYSA-N 2 1 266.389 -0.460 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000659642074 420443267 /nfs/dbraw/zinc/44/32/67/420443267.db2.gz JCANQHDGGBWKRW-VXGBXAGGSA-N 2 1 272.393 -0.260 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000659641847 420443670 /nfs/dbraw/zinc/44/36/70/420443670.db2.gz ISGLXTULKMZKAT-VXGBXAGGSA-N 2 1 272.393 -0.260 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000659643657 420443707 /nfs/dbraw/zinc/44/37/07/420443707.db2.gz STAKPMWRMNCWIV-GHMZBOCLSA-N 2 1 258.366 -0.698 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000659643657 420443709 /nfs/dbraw/zinc/44/37/09/420443709.db2.gz STAKPMWRMNCWIV-GHMZBOCLSA-N 2 1 258.366 -0.698 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)CC[N@H+]1C ZINC000659677642 420448056 /nfs/dbraw/zinc/44/80/56/420448056.db2.gz GLSJREAZQJUQAP-NEPJUHHUSA-N 2 1 296.415 -0.027 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000659677529 420448088 /nfs/dbraw/zinc/44/80/88/420448088.db2.gz DMLJJLTZWBRJII-HBNTYKKESA-N 2 1 270.377 -0.691 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659687101 420449361 /nfs/dbraw/zinc/44/93/61/420449361.db2.gz QOSUJDQDVBREHA-NXEZZACHSA-N 2 1 268.361 -0.937 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659691554 420449978 /nfs/dbraw/zinc/44/99/78/420449978.db2.gz KCAOABXPIUAMMF-UHFFFAOYSA-N 2 1 281.360 -0.497 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000659692730 420450283 /nfs/dbraw/zinc/45/02/83/420450283.db2.gz WKMUXIUFZCPOEH-VIFPVBQESA-N 2 1 267.333 -0.968 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000659694470 420451280 /nfs/dbraw/zinc/45/12/80/420451280.db2.gz UECPAEDQJAHWKB-GARJFASQSA-N 2 1 282.388 -0.548 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000659699523 420452116 /nfs/dbraw/zinc/45/21/16/420452116.db2.gz WIXCFAMYRQQDGV-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659703298 420452656 /nfs/dbraw/zinc/45/26/56/420452656.db2.gz YEAMTFHOYXOERZ-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659708480 420453726 /nfs/dbraw/zinc/45/37/26/420453726.db2.gz SHMFMWWTCKMBRC-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH2+]C)C1 ZINC000659709886 420453869 /nfs/dbraw/zinc/45/38/69/420453869.db2.gz JSNYCECDROQUON-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659709384 420453910 /nfs/dbraw/zinc/45/39/10/420453910.db2.gz IBNURPJTIHMWEP-LBPRGKRZSA-N 2 1 296.415 -0.156 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659712003 420454762 /nfs/dbraw/zinc/45/47/62/420454762.db2.gz FRRRNTULMXKSAE-SNVBAGLBSA-N 2 1 270.377 -0.689 20 0 CBADMP [NH3+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659711286 420455419 /nfs/dbraw/zinc/45/54/19/420455419.db2.gz YXIRQNLLGKOILX-NSHDSACASA-N 2 1 282.388 -0.416 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659713180 420456025 /nfs/dbraw/zinc/45/60/25/420456025.db2.gz FBFYQHREDOBGPU-QWRGUYRKSA-N 2 1 268.361 -0.935 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000659715464 420456825 /nfs/dbraw/zinc/45/68/25/420456825.db2.gz PFQCAWYSQVBCPG-ZJUUUORDSA-N 2 1 256.350 -0.950 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659715527 420457347 /nfs/dbraw/zinc/45/73/47/420457347.db2.gz PTMXBUJDMUQOJJ-UWVGGRQHSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659716261 420458163 /nfs/dbraw/zinc/45/81/63/420458163.db2.gz VVHACMRSBFGWAL-NWDGAFQWSA-N 2 1 296.415 -0.027 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000659717112 420458436 /nfs/dbraw/zinc/45/84/36/420458436.db2.gz ZWRYHMQDVDTYCL-AVGNSLFASA-N 2 1 296.415 -0.027 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000659717111 420458560 /nfs/dbraw/zinc/45/85/60/420458560.db2.gz ZWRYHMQDVDTYCL-AGIUHOORSA-N 2 1 296.415 -0.027 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000659720271 420458657 /nfs/dbraw/zinc/45/86/57/420458657.db2.gz RXRZQZUPIIPKMH-RYUDHWBXSA-N 2 1 296.415 -0.171 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000659720870 420458733 /nfs/dbraw/zinc/45/87/33/420458733.db2.gz FXPGMIXGGGQZCY-RWMBFGLXSA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000659722135 420458907 /nfs/dbraw/zinc/45/89/07/420458907.db2.gz MQSKRJJUHFAKIM-XQQFMLRXSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659719326 420459409 /nfs/dbraw/zinc/45/94/09/420459409.db2.gz WBOJNFKCXVXUJD-VXGBXAGGSA-N 2 1 296.415 -0.027 20 0 CBADMP CC(C)([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659719614 420459457 /nfs/dbraw/zinc/45/94/57/420459457.db2.gz IOBXNDFTBOKGQO-JTQLQIEISA-N 2 1 284.404 -0.171 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731446 420460843 /nfs/dbraw/zinc/46/08/43/420460843.db2.gz FYGOPRUOYFEYIN-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659735231 420462523 /nfs/dbraw/zinc/46/25/23/420462523.db2.gz QKCVAXOFWILOJM-NSHDSACASA-N 2 1 282.388 -0.416 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659736508 420462771 /nfs/dbraw/zinc/46/27/71/420462771.db2.gz MZFXBKSQHFQLQV-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000659738869 420463159 /nfs/dbraw/zinc/46/31/59/420463159.db2.gz JKAJTEPEGWLAKB-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000659738136 420463683 /nfs/dbraw/zinc/46/36/83/420463683.db2.gz AIVZCIYSNAADMU-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000659738180 420463783 /nfs/dbraw/zinc/46/37/83/420463783.db2.gz BEEVMHMUEKHYQL-QWRGUYRKSA-N 2 1 268.361 -0.854 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC000659739254 420464572 /nfs/dbraw/zinc/46/45/72/420464572.db2.gz PEASEHIVTXDEFC-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000659739308 420464794 /nfs/dbraw/zinc/46/47/94/420464794.db2.gz QQFRZYUQPCCXNF-NSHDSACASA-N 2 1 268.361 -0.981 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000659739486 420464984 /nfs/dbraw/zinc/46/49/84/420464984.db2.gz VRLBTVPICYSMCI-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000659749752 420467055 /nfs/dbraw/zinc/46/70/55/420467055.db2.gz JFIDRVVHCPZPNH-NWDGAFQWSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000659749752 420467056 /nfs/dbraw/zinc/46/70/56/420467056.db2.gz JFIDRVVHCPZPNH-NWDGAFQWSA-N 2 1 284.404 -0.491 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC000660013081 420480917 /nfs/dbraw/zinc/48/09/17/420480917.db2.gz OBJOGRUNXHKEGX-OLZOCXBDSA-N 2 1 294.399 -0.639 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC000660013081 420480919 /nfs/dbraw/zinc/48/09/19/420480919.db2.gz OBJOGRUNXHKEGX-OLZOCXBDSA-N 2 1 294.399 -0.639 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@]1(CO)CCOC1 ZINC000660240027 420487393 /nfs/dbraw/zinc/48/73/93/420487393.db2.gz UTLFRCIGWBALMV-STQMWFEESA-N 2 1 260.378 -0.229 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)[C@@]1(CO)CCOC1 ZINC000660240024 420487457 /nfs/dbraw/zinc/48/74/57/420487457.db2.gz UTLFRCIGWBALMV-CHWSQXEVSA-N 2 1 260.378 -0.229 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](CCO)[C@H](C)C1 ZINC000660332987 420489443 /nfs/dbraw/zinc/48/94/43/420489443.db2.gz ZCEBSFQWCSGOKD-KGLIPLIRSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000660332987 420489445 /nfs/dbraw/zinc/48/94/45/420489445.db2.gz ZCEBSFQWCSGOKD-KGLIPLIRSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000660332987 420489446 /nfs/dbraw/zinc/48/94/46/420489446.db2.gz ZCEBSFQWCSGOKD-KGLIPLIRSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC000660434811 420490650 /nfs/dbraw/zinc/49/06/50/420490650.db2.gz IPUMQEYTKDSNCY-OCCSQVGLSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC000660434811 420490651 /nfs/dbraw/zinc/49/06/51/420490651.db2.gz IPUMQEYTKDSNCY-OCCSQVGLSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000660434811 420490653 /nfs/dbraw/zinc/49/06/53/420490653.db2.gz IPUMQEYTKDSNCY-OCCSQVGLSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000660434811 420490654 /nfs/dbraw/zinc/49/06/54/420490654.db2.gz IPUMQEYTKDSNCY-OCCSQVGLSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000660434806 420490671 /nfs/dbraw/zinc/49/06/71/420490671.db2.gz IPUMQEYTKDSNCY-GXTWGEPZSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000660434806 420490672 /nfs/dbraw/zinc/49/06/72/420490672.db2.gz IPUMQEYTKDSNCY-GXTWGEPZSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000660434806 420490674 /nfs/dbraw/zinc/49/06/74/420490674.db2.gz IPUMQEYTKDSNCY-GXTWGEPZSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000660434806 420490675 /nfs/dbraw/zinc/49/06/75/420490675.db2.gz IPUMQEYTKDSNCY-GXTWGEPZSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+](C)CCn1ccc(NC(=O)CN2CC[NH+](C)CC2)n1 ZINC000600978443 420493016 /nfs/dbraw/zinc/49/30/16/420493016.db2.gz HYVFWACEILGRCZ-UHFFFAOYSA-N 2 1 294.403 -0.369 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CNC(C)(C)C[NH+](C)C ZINC000308637225 260393241 /nfs/dbraw/zinc/39/32/41/260393241.db2.gz PPVQEPAGZMRWCK-GFCCVEGCSA-N 2 1 261.410 -0.145 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000522138506 269607780 /nfs/dbraw/zinc/60/77/80/269607780.db2.gz UQVJJQVXSDGCCS-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000522138506 269607781 /nfs/dbraw/zinc/60/77/81/269607781.db2.gz UQVJJQVXSDGCCS-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000522138506 269607783 /nfs/dbraw/zinc/60/77/83/269607783.db2.gz UQVJJQVXSDGCCS-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529384661 269633957 /nfs/dbraw/zinc/63/39/57/269633957.db2.gz DQMHVKIGBUVXOL-ZYHUDNBSSA-N 2 1 274.340 -0.682 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000359228959 280078899 /nfs/dbraw/zinc/07/88/99/280078899.db2.gz JOJXLOUZUDFIDP-RYUDHWBXSA-N 2 1 256.394 -0.311 20 0 CBADMP C[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@@H]1[NH3+] ZINC000347057380 274357745 /nfs/dbraw/zinc/35/77/45/274357745.db2.gz VYUDCKMYQNKYSP-KOLCDFICSA-N 2 1 266.345 -0.747 20 0 CBADMP CC1CCC([NH+]2CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC2)CC1 ZINC000353645368 275930300 /nfs/dbraw/zinc/93/03/00/275930300.db2.gz WEKAIMOWYJSREM-WXRRBKDZSA-N 2 1 296.415 -0.088 20 0 CBADMP CC(C)[C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000418777523 276030171 /nfs/dbraw/zinc/03/01/71/276030171.db2.gz YNWXUDUNYZHFFT-CHWSQXEVSA-N 2 1 284.404 -0.044 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)COC2C[NH2+]C2)C1 ZINC000430784630 276071988 /nfs/dbraw/zinc/07/19/88/276071988.db2.gz QZUGIMYPQRZULN-NSHDSACASA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000515666226 276073863 /nfs/dbraw/zinc/07/38/63/276073863.db2.gz QLWBRSUGXWKVGZ-GRYCIOLGSA-N 2 1 257.378 -0.197 20 0 CBADMP CC[N@@H+](CC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000343590203 276083646 /nfs/dbraw/zinc/08/36/46/276083646.db2.gz TVRRYDOGDHBLLR-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[NH+](CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000343590203 276083647 /nfs/dbraw/zinc/08/36/47/276083647.db2.gz TVRRYDOGDHBLLR-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[NH+](CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000343590203 276083648 /nfs/dbraw/zinc/08/36/48/276083648.db2.gz TVRRYDOGDHBLLR-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)C1 ZINC000422541507 276214569 /nfs/dbraw/zinc/21/45/69/276214569.db2.gz LXVVTAFUUQSORZ-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C1 ZINC000422541507 276214570 /nfs/dbraw/zinc/21/45/70/276214570.db2.gz LXVVTAFUUQSORZ-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C1 ZINC000422541507 276214571 /nfs/dbraw/zinc/21/45/71/276214571.db2.gz LXVVTAFUUQSORZ-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCCC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000353594841 276243731 /nfs/dbraw/zinc/24/37/31/276243731.db2.gz YYUJGHKXXFNBLP-RYUDHWBXSA-N 2 1 284.404 -0.040 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262566803 276364142 /nfs/dbraw/zinc/36/41/42/276364142.db2.gz YCGVRGSVGDZQPQ-GRYCIOLGSA-N 2 1 255.362 -0.300 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420040491 276378401 /nfs/dbraw/zinc/37/84/01/276378401.db2.gz OXQSWGLBEXBZFI-RYUDHWBXSA-N 2 1 282.388 -0.560 20 0 CBADMP C[N@H+](C[C@@H](O)CN1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000685569555 545081905 /nfs/dbraw/zinc/08/19/05/545081905.db2.gz VLZFNRXNVFKTCS-HUUCEWRRSA-N 2 1 283.416 -0.152 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000685569555 545081906 /nfs/dbraw/zinc/08/19/06/545081906.db2.gz VLZFNRXNVFKTCS-HUUCEWRRSA-N 2 1 283.416 -0.152 20 0 CBADMP CC[C@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186665585 287924974 /nfs/dbraw/zinc/92/49/74/287924974.db2.gz FDDCVVUVAHWDQU-MNOVXSKESA-N 2 1 268.361 -0.854 20 0 CBADMP CNC(=O)[C@@]1(C)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000352364309 277010777 /nfs/dbraw/zinc/01/07/77/277010777.db2.gz BQANLUVXDSNOKL-OCCSQVGLSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@@]1(C)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000352364309 277010778 /nfs/dbraw/zinc/01/07/78/277010778.db2.gz BQANLUVXDSNOKL-OCCSQVGLSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@@]1(C)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000352364309 277010780 /nfs/dbraw/zinc/01/07/80/277010780.db2.gz BQANLUVXDSNOKL-OCCSQVGLSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@@]1(C)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352364309 277010782 /nfs/dbraw/zinc/01/07/82/277010782.db2.gz BQANLUVXDSNOKL-OCCSQVGLSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000311800811 277012490 /nfs/dbraw/zinc/01/24/90/277012490.db2.gz ZOLLNMGFXUSHPA-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000311800811 277012492 /nfs/dbraw/zinc/01/24/92/277012492.db2.gz ZOLLNMGFXUSHPA-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000311800811 277012493 /nfs/dbraw/zinc/01/24/93/277012493.db2.gz ZOLLNMGFXUSHPA-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000311800811 277012495 /nfs/dbraw/zinc/01/24/95/277012495.db2.gz ZOLLNMGFXUSHPA-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP COC[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000262303575 277246780 /nfs/dbraw/zinc/24/67/80/277246780.db2.gz OCZKAERKAXXJBP-UONOGXRCSA-N 2 1 298.431 -0.411 20 0 CBADMP C[NH2+]CC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000193139229 277264495 /nfs/dbraw/zinc/26/44/95/277264495.db2.gz SOCNPYBRXBUPHI-KBPBESRZSA-N 2 1 277.368 -0.043 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419555598 277266903 /nfs/dbraw/zinc/26/69/03/277266903.db2.gz JMKAJDLLTXILLQ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419698143 277269206 /nfs/dbraw/zinc/26/92/06/277269206.db2.gz SBSODBUPJPYDRC-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423010464 277399377 /nfs/dbraw/zinc/39/93/77/277399377.db2.gz GIJYLXCHNUMZKI-CYBMUJFWSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420098842 277399818 /nfs/dbraw/zinc/39/98/18/277399818.db2.gz XILURRDERJNQPS-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000424136051 277742507 /nfs/dbraw/zinc/74/25/07/277742507.db2.gz QDEBHVLLKPDIGP-GRYCIOLGSA-N 2 1 255.362 -0.193 20 0 CBADMP CC(=O)NC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000178973807 278123880 /nfs/dbraw/zinc/12/38/80/278123880.db2.gz JFKQGWZFYMNPEY-ZDUSSCGKSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[N@@H+](C)C1CC1 ZINC000419591452 278268805 /nfs/dbraw/zinc/26/88/05/278268805.db2.gz RCXHDZXANKAGIQ-WOPDTQHZSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)CCOC2C[NH2+]C2)C[C@H]1C ZINC000348988559 278290614 /nfs/dbraw/zinc/29/06/14/278290614.db2.gz BAVJCBLPNDRYME-NEPJUHHUSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC000105862082 278395140 /nfs/dbraw/zinc/39/51/40/278395140.db2.gz YXKLOUSAJYYQQD-SNVBAGLBSA-N 2 1 286.376 -0.794 20 0 CBADMP CC(C)(C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186609810 278486189 /nfs/dbraw/zinc/48/61/89/278486189.db2.gz NZENONRXXLTEEW-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000487453780 288083640 /nfs/dbraw/zinc/08/36/40/288083640.db2.gz TXCMIEWESGZUMS-UPJWGTAASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000487453780 288083644 /nfs/dbraw/zinc/08/36/44/288083644.db2.gz TXCMIEWESGZUMS-UPJWGTAASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000487453780 288083646 /nfs/dbraw/zinc/08/36/46/288083646.db2.gz TXCMIEWESGZUMS-UPJWGTAASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000487453780 288083650 /nfs/dbraw/zinc/08/36/50/288083650.db2.gz TXCMIEWESGZUMS-UPJWGTAASA-N 2 1 269.389 -0.291 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423604820 278885876 /nfs/dbraw/zinc/88/58/76/278885876.db2.gz JAUKUQPZFMIHEW-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CCC[C@@](C)([NH3+])C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000037622099 278906659 /nfs/dbraw/zinc/90/66/59/278906659.db2.gz DEIUPYRSPGMWDQ-CQSZACIVSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000487168353 288096877 /nfs/dbraw/zinc/09/68/77/288096877.db2.gz ZWBMIZHGCQGYDR-NQBHXWOUSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000487168353 288096878 /nfs/dbraw/zinc/09/68/78/288096878.db2.gz ZWBMIZHGCQGYDR-NQBHXWOUSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000487168353 288096879 /nfs/dbraw/zinc/09/68/79/288096879.db2.gz ZWBMIZHGCQGYDR-NQBHXWOUSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CCC[N@@H+]1C ZINC000419541718 279119631 /nfs/dbraw/zinc/11/96/31/279119631.db2.gz DGUHMWBAFPDQSW-RKDXNWHRSA-N 2 1 292.330 -0.705 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CCC[N@H+]1C ZINC000419541718 279119632 /nfs/dbraw/zinc/11/96/32/279119632.db2.gz DGUHMWBAFPDQSW-RKDXNWHRSA-N 2 1 292.330 -0.705 20 0 CBADMP CC(C)C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000353587486 279177121 /nfs/dbraw/zinc/17/71/21/279177121.db2.gz HCOPUKRDRNQZQZ-NWDGAFQWSA-N 2 1 284.404 -0.184 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N(C)CCC[NH2+]C)C1CC1 ZINC000419528911 279189497 /nfs/dbraw/zinc/18/94/97/279189497.db2.gz WYRANWSNHPVMBU-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430919609 279195747 /nfs/dbraw/zinc/19/57/47/279195747.db2.gz LSNUEKIPBOWGTJ-WOPDTQHZSA-N 2 1 282.388 -0.621 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430919609 279195749 /nfs/dbraw/zinc/19/57/49/279195749.db2.gz LSNUEKIPBOWGTJ-WOPDTQHZSA-N 2 1 282.388 -0.621 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419341159 288115097 /nfs/dbraw/zinc/11/50/97/288115097.db2.gz YAJGTLHPRHORSR-PWSUYJOCSA-N 2 1 294.399 -0.417 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419338006 288115786 /nfs/dbraw/zinc/11/57/86/288115786.db2.gz RRFQAWYDHDNRNA-MDZLAQPJSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333430222 288116358 /nfs/dbraw/zinc/11/63/58/288116358.db2.gz UKYMFWUVUNNATP-IXOXFDKPSA-N 2 1 282.388 -0.557 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419595434 279268614 /nfs/dbraw/zinc/26/86/14/279268614.db2.gz WUIVINNZZOENTC-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423371657 279273020 /nfs/dbraw/zinc/27/30/20/279273020.db2.gz HSLYEOPSWQOYDB-MNOVXSKESA-N 2 1 271.361 -0.133 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423371657 279273021 /nfs/dbraw/zinc/27/30/21/279273021.db2.gz HSLYEOPSWQOYDB-MNOVXSKESA-N 2 1 271.361 -0.133 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419985131 279323973 /nfs/dbraw/zinc/32/39/73/279323973.db2.gz WLGMHARYVVYOAJ-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262075541 279351504 /nfs/dbraw/zinc/35/15/04/279351504.db2.gz PUSNVNIOZVZZNK-CYBMUJFWSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000341060461 279352493 /nfs/dbraw/zinc/35/24/93/279352493.db2.gz NWKGHCLNRSKCQO-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000341060461 279352494 /nfs/dbraw/zinc/35/24/94/279352494.db2.gz NWKGHCLNRSKCQO-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000341060461 279352495 /nfs/dbraw/zinc/35/24/95/279352495.db2.gz NWKGHCLNRSKCQO-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419333992 288126143 /nfs/dbraw/zinc/12/61/43/288126143.db2.gz MWLNWFQDTVTLSQ-OASPWFOLSA-N 2 1 294.399 -0.561 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C[NH3+])C2CC2)C1 ZINC000423947863 279382996 /nfs/dbraw/zinc/38/29/96/279382996.db2.gz LFAMIRJKGIRFEY-NWDGAFQWSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C[NH3+])C2CC2)C1 ZINC000423947863 279382998 /nfs/dbraw/zinc/38/29/98/279382998.db2.gz LFAMIRJKGIRFEY-NWDGAFQWSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000351829762 279389411 /nfs/dbraw/zinc/38/94/11/279389411.db2.gz OULSRTXEGGZPAA-SRVKXCTJSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000351829762 279389413 /nfs/dbraw/zinc/38/94/13/279389413.db2.gz OULSRTXEGGZPAA-SRVKXCTJSA-N 2 1 255.362 -0.097 20 0 CBADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1COCC[NH2+]1 ZINC000261609066 279620376 /nfs/dbraw/zinc/62/03/76/279620376.db2.gz FFPGULNULWDUAN-IJLVLRJLSA-N 2 1 267.373 -0.003 20 0 CBADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000333866430 280204240 /nfs/dbraw/zinc/20/42/40/280204240.db2.gz TUXYHNBOMXENJW-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP 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 281138130 /nfs/dbraw/zinc/13/81/30/281138130.db2.gz PZCMQSRJJSAYKU-BJJPWKGXSA-N 2 1 296.415 -0.309 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000251929869 288304294 /nfs/dbraw/zinc/30/42/94/288304294.db2.gz YQOCELAMSDVQCB-DDHJBXDOSA-N 2 1 253.346 -0.596 20 0 CBADMP CC[C@]1(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCC[NH2+]1 ZINC000122159653 281302077 /nfs/dbraw/zinc/30/20/77/281302077.db2.gz FUUSCTCJMWCLAO-TZMCWYRMSA-N 2 1 268.405 -0.119 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000362069621 289193354 /nfs/dbraw/zinc/19/33/54/289193354.db2.gz UPUJZEWRJJOXNS-KBPBESRZSA-N 2 1 297.447 -0.175 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351860180 289276566 /nfs/dbraw/zinc/27/65/66/289276566.db2.gz HTEPZOICXRNCRQ-LOWDOPEQSA-N 2 1 296.415 -0.232 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000225354664 290034460 /nfs/dbraw/zinc/03/44/60/290034460.db2.gz WQDYIHWNWAMWNY-NSHDSACASA-N 2 1 254.378 -0.380 20 0 CBADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000178199323 290085069 /nfs/dbraw/zinc/08/50/69/290085069.db2.gz KZRSLRSXDMKSQD-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000331995317 290148501 /nfs/dbraw/zinc/14/85/01/290148501.db2.gz BHSRVGKAWONGHD-FRRDWIJNSA-N 2 1 294.399 -0.593 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000353770932 295056275 /nfs/dbraw/zinc/05/62/75/295056275.db2.gz VOMWEKYQLZZPTP-WXHSDQCUSA-N 2 1 294.399 -0.336 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000353770932 295056277 /nfs/dbraw/zinc/05/62/77/295056277.db2.gz VOMWEKYQLZZPTP-WXHSDQCUSA-N 2 1 294.399 -0.336 20 0 CBADMP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332173364 295251781 /nfs/dbraw/zinc/25/17/81/295251781.db2.gz UTEXZTNPKKEPQP-STQMWFEESA-N 2 1 294.399 -0.367 20 0 CBADMP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332173364 295251782 /nfs/dbraw/zinc/25/17/82/295251782.db2.gz UTEXZTNPKKEPQP-STQMWFEESA-N 2 1 294.399 -0.367 20 0 CBADMP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332203245 295251952 /nfs/dbraw/zinc/25/19/52/295251952.db2.gz DKRBLBJGSWTNBR-RYUDHWBXSA-N 2 1 280.372 -0.757 20 0 CBADMP NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261762640 295283384 /nfs/dbraw/zinc/28/33/84/295283384.db2.gz DAZXXJHWJJBFMW-QWRGUYRKSA-N 2 1 261.391 -0.261 20 0 CBADMP NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261762640 295283386 /nfs/dbraw/zinc/28/33/86/295283386.db2.gz DAZXXJHWJJBFMW-QWRGUYRKSA-N 2 1 261.391 -0.261 20 0 CBADMP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000419700616 295339771 /nfs/dbraw/zinc/33/97/71/295339771.db2.gz XUDSSVAZZRNEHG-RYUDHWBXSA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@@H]1C[C@H](C)[N@H+](CCNS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000422635214 297367398 /nfs/dbraw/zinc/36/73/98/297367398.db2.gz LDHBOOYKNSTNKB-OUAUKWLOSA-N 2 1 263.407 -0.159 20 0 CBADMP C[C@@H]1C[C@H](C)[N@@H+](CCNS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000422635214 297367399 /nfs/dbraw/zinc/36/73/99/297367399.db2.gz LDHBOOYKNSTNKB-OUAUKWLOSA-N 2 1 263.407 -0.159 20 0 CBADMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CNC(=O)C[NH3+] ZINC000094447067 300306184 /nfs/dbraw/zinc/30/61/84/300306184.db2.gz MXSGKILQFYSWEZ-WDEREUQCSA-N 2 1 268.361 -0.854 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188106481 302715934 /nfs/dbraw/zinc/71/59/34/302715934.db2.gz RGXCTQZRDKZUAZ-ZYHUDNBSSA-N 2 1 266.345 -0.068 20 0 CBADMP [NH3+]CCOCC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000357068022 303383585 /nfs/dbraw/zinc/38/35/85/303383585.db2.gz FNWMOIKTPYYBDB-CYBMUJFWSA-N 2 1 257.378 -0.384 20 0 CBADMP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000580715389 327732790 /nfs/dbraw/zinc/73/27/90/327732790.db2.gz AJTRQNVBMBXCRY-GWCFXTLKSA-N 2 1 279.340 -0.200 20 0 CBADMP C[C@@H](C(=O)NCC1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000563145917 327929997 /nfs/dbraw/zinc/92/99/97/327929997.db2.gz CKAAHNYWOGOKJM-LBPRGKRZSA-N 2 1 268.405 -0.262 20 0 CBADMP C[NH2+]C1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000570964173 327965779 /nfs/dbraw/zinc/96/57/79/327965779.db2.gz GDTUQZVYZHZSGV-UHFFFAOYSA-N 3 1 254.378 -0.508 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC1CC[NH2+]CC1)C(C)C ZINC000563660649 328082574 /nfs/dbraw/zinc/08/25/74/328082574.db2.gz OPQRRCHKZOFNLO-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CC1(C[NH3+])CC1 ZINC000572838805 328095956 /nfs/dbraw/zinc/09/59/56/328095956.db2.gz NPUCZQXKBKGKNM-GFCCVEGCSA-N 2 1 268.405 -0.133 20 0 CBADMP CNC(=O)CCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000571295327 328100310 /nfs/dbraw/zinc/10/03/10/328100310.db2.gz VGRGVJOVHCWRSO-UHFFFAOYSA-N 2 1 296.415 -0.247 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000571404615 328119548 /nfs/dbraw/zinc/11/95/48/328119548.db2.gz ZCCGLLOIBRGGMX-CHWSQXEVSA-N 2 1 256.321 -0.101 20 0 CBADMP C[C@H](C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000575315746 335092757 /nfs/dbraw/zinc/09/27/57/335092757.db2.gz BFYULEMUWXQBTK-RWMBFGLXSA-N 2 1 268.405 -0.169 20 0 CBADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000557279072 327000421 /nfs/dbraw/zinc/00/04/21/327000421.db2.gz JUHRKSVGIYYWJA-SNVBAGLBSA-N 2 1 280.372 -0.793 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000569003736 327028602 /nfs/dbraw/zinc/02/86/02/327028602.db2.gz RATVOCOMHRFZIL-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000576941064 327053119 /nfs/dbraw/zinc/05/31/19/327053119.db2.gz TWGXWLBYLWCJQX-JSGCOSHPSA-N 2 1 267.373 -0.176 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)CC[N@H+]1C ZINC000558207329 327078485 /nfs/dbraw/zinc/07/84/85/327078485.db2.gz BIUCICWZPKVIHH-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](COCCOC)C1 ZINC000573126262 327100850 /nfs/dbraw/zinc/10/08/50/327100850.db2.gz MOMTZZWQKLPUKI-STQMWFEESA-N 2 1 260.378 -0.058 20 0 CBADMP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000559247088 327150241 /nfs/dbraw/zinc/15/02/41/327150241.db2.gz DZTLCQYNWJBKKT-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000559247088 327150242 /nfs/dbraw/zinc/15/02/42/327150242.db2.gz DZTLCQYNWJBKKT-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000569357402 327162192 /nfs/dbraw/zinc/16/21/92/327162192.db2.gz JEXUURJVWHZJQH-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](C(=O)N[C@@](C)(C[NH3+])C1CC1)N1CC[NH+](C)CC1 ZINC000569364717 327164987 /nfs/dbraw/zinc/16/49/87/327164987.db2.gz SMTZIVIAOZSIKR-RISCZKNCSA-N 2 1 268.405 -0.134 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)CC1(C)C ZINC000569375445 327168710 /nfs/dbraw/zinc/16/87/10/327168710.db2.gz SDRRIYSIEMHZFD-ZDUSSCGKSA-N 2 1 273.421 -0.049 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](C)CC1(C)C ZINC000569375445 327168711 /nfs/dbraw/zinc/16/87/11/327168711.db2.gz SDRRIYSIEMHZFD-ZDUSSCGKSA-N 2 1 273.421 -0.049 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)CC1(C)C ZINC000569375445 327168713 /nfs/dbraw/zinc/16/87/13/327168713.db2.gz SDRRIYSIEMHZFD-ZDUSSCGKSA-N 2 1 273.421 -0.049 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000564656660 327198162 /nfs/dbraw/zinc/19/81/62/327198162.db2.gz WADZXGXVSFCODZ-SKDRFNHKSA-N 2 1 275.324 -0.573 20 0 CBADMP CC[NH2+]CCCNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000584281559 327215574 /nfs/dbraw/zinc/21/55/74/327215574.db2.gz ZENOHTPKGRNBCM-LBPRGKRZSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[NH2+]CCCNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000584281559 327215575 /nfs/dbraw/zinc/21/55/75/327215575.db2.gz ZENOHTPKGRNBCM-LBPRGKRZSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000584299795 327229857 /nfs/dbraw/zinc/22/98/57/327229857.db2.gz VRMXRGGELIWTAR-BZPMIXESSA-N 2 1 269.389 -0.054 20 0 CBADMP C[N@@H+](C[C@@H](O)CNC[C@H]1CC[C@@H](CO)O1)C1CC1 ZINC000564975088 327301134 /nfs/dbraw/zinc/30/11/34/327301134.db2.gz JGVIWVSYOUVGCQ-XQQFMLRXSA-N 2 1 258.362 -0.429 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CC[C@@H](CO)O1)C1CC1 ZINC000564975088 327301136 /nfs/dbraw/zinc/30/11/36/327301136.db2.gz JGVIWVSYOUVGCQ-XQQFMLRXSA-N 2 1 258.362 -0.429 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CC[C@@H](CO)O1)C1CC1 ZINC000564975088 327301137 /nfs/dbraw/zinc/30/11/37/327301137.db2.gz JGVIWVSYOUVGCQ-XQQFMLRXSA-N 2 1 258.362 -0.429 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000564978460 327310883 /nfs/dbraw/zinc/31/08/83/327310883.db2.gz DNQVREGHPJCWEI-GVXVVHGQSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](CS(N)(=O)=O)C1 ZINC000574530248 327343792 /nfs/dbraw/zinc/34/37/92/327343792.db2.gz VNBFKYYIYYLDTE-RYUDHWBXSA-N 2 1 293.433 -0.701 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@@H]3CCSC3)CCN2C1=O ZINC000579259613 327361025 /nfs/dbraw/zinc/36/10/25/327361025.db2.gz XWULAFZTZYYHPO-HBNTYKKESA-N 2 1 255.387 -0.017 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579370332 327364482 /nfs/dbraw/zinc/36/44/82/327364482.db2.gz FSQNLESYHYTTOD-QWHCGFSZSA-N 2 1 268.405 -0.038 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000579370332 327364484 /nfs/dbraw/zinc/36/44/84/327364484.db2.gz FSQNLESYHYTTOD-QWHCGFSZSA-N 3 1 268.405 -0.038 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000579370332 327364485 /nfs/dbraw/zinc/36/44/85/327364485.db2.gz FSQNLESYHYTTOD-QWHCGFSZSA-N 3 1 268.405 -0.038 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N(C)CCC[NH3+])C1 ZINC000579378135 327365229 /nfs/dbraw/zinc/36/52/29/327365229.db2.gz NOWOJDCFUJVTRD-LLVKDONJSA-N 2 1 258.366 -0.303 20 0 CBADMP CC(C)NC(=O)CN(C)CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000561160464 327370565 /nfs/dbraw/zinc/37/05/65/327370565.db2.gz GJZIBQOCPOEAGU-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000574860745 327387886 /nfs/dbraw/zinc/38/78/86/327387886.db2.gz AAFXDRCDURVJGJ-RYUDHWBXSA-N 2 1 270.377 -0.160 20 0 CBADMP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000569811547 327548763 /nfs/dbraw/zinc/54/87/63/327548763.db2.gz DICYHBHXFVGDQG-GRYCIOLGSA-N 2 1 280.372 -0.854 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000569969934 327558937 /nfs/dbraw/zinc/55/89/37/327558937.db2.gz NZXMAEYTCUYBSG-AAEUAGOBSA-N 2 1 294.399 -0.450 20 0 CBADMP CC(C)C(=O)NCC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000393139540 329081323 /nfs/dbraw/zinc/08/13/23/329081323.db2.gz CPKZVHASXGPTAM-LBPRGKRZSA-N 2 1 257.378 -0.197 20 0 CBADMP CC(C)C(=O)NCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000393139540 329081324 /nfs/dbraw/zinc/08/13/24/329081324.db2.gz CPKZVHASXGPTAM-LBPRGKRZSA-N 2 1 257.378 -0.197 20 0 CBADMP CC(C)C(=O)NCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000393139540 329081326 /nfs/dbraw/zinc/08/13/26/329081326.db2.gz CPKZVHASXGPTAM-LBPRGKRZSA-N 2 1 257.378 -0.197 20 0 CBADMP [NH3+]CCn1cc(C(=O)N2CC[NH2+]Cc3ccccc32)nn1 ZINC000583705364 329086309 /nfs/dbraw/zinc/08/63/09/329086309.db2.gz VUNXYKVSEQVPGU-UHFFFAOYSA-N 2 1 286.339 -0.013 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC000582724942 329131134 /nfs/dbraw/zinc/13/11/34/329131134.db2.gz ZHPHMCUNGWJXNG-MWLCHTKSSA-N 2 1 253.350 -0.205 20 0 CBADMP C[C@@]1(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCC[NH2+]1 ZINC000582849596 329279890 /nfs/dbraw/zinc/27/98/90/329279890.db2.gz SMYOSSNXYPNZMQ-WFASDCNBSA-N 2 1 296.415 -0.168 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1C ZINC000582964792 329292547 /nfs/dbraw/zinc/29/25/47/329292547.db2.gz INUGLTNPCNFONQ-CHWSQXEVSA-N 2 1 268.357 -0.095 20 0 CBADMP CS(=O)(=O)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000583029012 329304679 /nfs/dbraw/zinc/30/46/79/329304679.db2.gz ZFQSTMHNPAQXLM-FBTJUVTCSA-N 2 1 273.402 -0.107 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2CN(c3[nH+]cnc4[nH]ccc43)CCN2C1=O ZINC000583094241 329315162 /nfs/dbraw/zinc/31/51/62/329315162.db2.gz KXOIWKWZPUADOV-PSASIEDQSA-N 2 1 272.312 -0.294 20 0 CBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000572359303 330000664 /nfs/dbraw/zinc/00/06/64/330000664.db2.gz CMPABTLNCNMNNM-QWRGUYRKSA-N 2 1 287.360 -0.896 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000572359303 330000665 /nfs/dbraw/zinc/00/06/65/330000665.db2.gz CMPABTLNCNMNNM-QWRGUYRKSA-N 2 1 287.360 -0.896 20 0 CBADMP O=C(C[NH2+]CC1CC1)NCC[N@@H+]1CCCOCC1 ZINC000580443140 330136128 /nfs/dbraw/zinc/13/61/28/330136128.db2.gz KDELEYBWGMNXNP-UHFFFAOYSA-N 2 1 255.362 -0.176 20 0 CBADMP O=C(C[NH2+]CC1CC1)NCC[N@H+]1CCCOCC1 ZINC000580443140 330136130 /nfs/dbraw/zinc/13/61/30/330136130.db2.gz KDELEYBWGMNXNP-UHFFFAOYSA-N 2 1 255.362 -0.176 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1cnn(C)c1 ZINC000575400172 335100440 /nfs/dbraw/zinc/10/04/40/335100440.db2.gz RQJLICFIGYBCNX-JLLWLGSASA-N 2 1 265.361 -0.205 20 0 CBADMP C[C@@H](C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)N1CC[NH+](C)CC1 ZINC000575803780 335117039 /nfs/dbraw/zinc/11/70/39/335117039.db2.gz FUUSXAVUFAQHOS-UPJWGTAASA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000576043152 335144853 /nfs/dbraw/zinc/14/48/53/335144853.db2.gz DNLJJQBAPRCJFG-RWMBFGLXSA-N 2 1 268.405 -0.277 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000250597379 334346849 /nfs/dbraw/zinc/34/68/49/334346849.db2.gz JBXUQKHZQSYAQT-FRRDWIJNSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000553370512 334381111 /nfs/dbraw/zinc/38/11/11/334381111.db2.gz YLZAISYYLMBHQD-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP COC[C@]1(CNC(=O)CC(F)(F)C[NH3+])CCC[NH2+]1 ZINC000568152829 334796787 /nfs/dbraw/zinc/79/67/87/334796787.db2.gz MCWFZTVHFLCJMC-SNVBAGLBSA-N 2 1 265.304 -0.145 20 0 CBADMP CCC[NH2+]CCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000568513173 334828231 /nfs/dbraw/zinc/82/82/31/334828231.db2.gz IRDUHKHNUZHXGY-GFCCVEGCSA-N 2 1 256.394 -0.262 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)C2([NH3+])CCC2)n1C ZINC000576582591 335222008 /nfs/dbraw/zinc/22/20/08/335222008.db2.gz VBLDMVWABTUPIJ-UHFFFAOYSA-N 2 1 251.334 -0.016 20 0 CBADMP C[N@@H+](C[C@@H](O)CN[C@@H]1CCC[NH+](CCCO)C1)C1CC1 ZINC000576583836 335222272 /nfs/dbraw/zinc/22/22/72/335222272.db2.gz FDSLCEYHOFJPKS-HIFRSBDPSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@@H](O)CN[C@@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000576583836 335222274 /nfs/dbraw/zinc/22/22/74/335222274.db2.gz FDSLCEYHOFJPKS-HIFRSBDPSA-N 2 1 285.432 -0.122 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCOC)CC1 ZINC000576644839 335230221 /nfs/dbraw/zinc/23/02/21/335230221.db2.gz MFOVVFCVXKNLIU-CYBMUJFWSA-N 2 1 259.394 -0.437 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@@H]3CCCC[C@@H]3O)CCN2C1=O ZINC000576837236 335254569 /nfs/dbraw/zinc/25/45/69/335254569.db2.gz GJDBXUMZQZFLDQ-LOWDOPEQSA-N 2 1 267.373 -0.219 20 0 CBADMP COCC[NH+]1CCC([NH2+]CCC(=O)NC(N)=O)CC1 ZINC000577098409 335299539 /nfs/dbraw/zinc/29/95/39/335299539.db2.gz YLZBGVBKZUYIKW-UHFFFAOYSA-N 2 1 272.349 -0.728 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000580643487 335309973 /nfs/dbraw/zinc/30/99/73/335309973.db2.gz DKWCOMFUEDDCAR-QJPTWQEYSA-N 2 1 272.393 -0.180 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000580643487 335309974 /nfs/dbraw/zinc/30/99/74/335309974.db2.gz DKWCOMFUEDDCAR-QJPTWQEYSA-N 2 1 272.393 -0.180 20 0 CBADMP CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000580647387 335310707 /nfs/dbraw/zinc/31/07/07/335310707.db2.gz HNOPOOGGKDQIRK-ZJUUUORDSA-N 2 1 251.334 -0.370 20 0 CBADMP [NH3+]CCCCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000577279338 335334584 /nfs/dbraw/zinc/33/45/84/335334584.db2.gz LMVAMHQNKYANTC-GFCCVEGCSA-N 2 1 282.388 -0.462 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CC1(C[NH3+])CC1 ZINC000577629367 335382352 /nfs/dbraw/zinc/38/23/52/335382352.db2.gz XSNLNGLPHKBEJD-NSHDSACASA-N 2 1 282.388 -0.429 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000578502602 335641702 /nfs/dbraw/zinc/64/17/02/335641702.db2.gz WDWRRECBAASICK-MNOVXSKESA-N 2 1 269.345 -0.427 20 0 CBADMP C[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000581074236 336004606 /nfs/dbraw/zinc/00/46/06/336004606.db2.gz NHIQHJGIIADOPJ-VXGBXAGGSA-N 2 1 254.378 -0.510 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000581130089 336012418 /nfs/dbraw/zinc/01/24/18/336012418.db2.gz GWRHZZJVYPRHCQ-NEPJUHHUSA-N 2 1 255.362 -0.096 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000581130089 336012419 /nfs/dbraw/zinc/01/24/19/336012419.db2.gz GWRHZZJVYPRHCQ-NEPJUHHUSA-N 2 1 255.362 -0.096 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)COC3C[NH2+]C3)[C@@H]2C1 ZINC000581308963 336045277 /nfs/dbraw/zinc/04/52/77/336045277.db2.gz PFTOFZWBSBYIJN-ZYHUDNBSSA-N 2 1 253.346 -0.473 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000581370977 336063326 /nfs/dbraw/zinc/06/33/26/336063326.db2.gz JVJYXNPWQOYNLG-QJPTWQEYSA-N 2 1 277.372 -0.109 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000581436369 336077433 /nfs/dbraw/zinc/07/74/33/336077433.db2.gz CSKLQJFAPILNFY-SNVBAGLBSA-N 2 1 276.331 -0.523 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000581538694 336097095 /nfs/dbraw/zinc/09/70/95/336097095.db2.gz ONGABHACFMFRNJ-RAIGVLPGSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[NH+]1CCOCC1 ZINC000382956784 336099336 /nfs/dbraw/zinc/09/93/36/336099336.db2.gz NDXUIKAFQJOQIU-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000581605550 336111098 /nfs/dbraw/zinc/11/10/98/336111098.db2.gz KPKLFAVAJZMLOY-YPMHNXCESA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000581607199 336111534 /nfs/dbraw/zinc/11/15/34/336111534.db2.gz MPZYBEHQFXZSND-SRVKXCTJSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000581607199 336111535 /nfs/dbraw/zinc/11/15/35/336111535.db2.gz MPZYBEHQFXZSND-SRVKXCTJSA-N 2 1 255.362 -0.049 20 0 CBADMP CN1CC[C@H]([N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000581608405 336111783 /nfs/dbraw/zinc/11/17/83/336111783.db2.gz CPDNKKAZLWVLGM-NEPJUHHUSA-N 2 1 267.373 -0.096 20 0 CBADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC000581879291 336157467 /nfs/dbraw/zinc/15/74/67/336157467.db2.gz BKFPQGRJSARJLV-JTQLQIEISA-N 2 1 256.350 -0.107 20 0 CBADMP CCCCNC(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000581895964 336162432 /nfs/dbraw/zinc/16/24/32/336162432.db2.gz VBKVOPFGUQFZFZ-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP CCCCNC(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000581895964 336162434 /nfs/dbraw/zinc/16/24/34/336162434.db2.gz VBKVOPFGUQFZFZ-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000520409787 518181583 /nfs/dbraw/zinc/18/15/83/518181583.db2.gz XBLQHNUVIRWIML-SDDRHHMPSA-N 2 1 256.394 -0.136 20 0 CBADMP COC[C@@H](CO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000353150106 522302317 /nfs/dbraw/zinc/30/23/17/522302317.db2.gz INJWKPYMMVLNKS-CYBMUJFWSA-N 2 1 295.387 -0.675 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000354716824 527735465 /nfs/dbraw/zinc/73/54/65/527735465.db2.gz ZRUQNQPUZXRAAH-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000354716824 527735470 /nfs/dbraw/zinc/73/54/70/527735470.db2.gz ZRUQNQPUZXRAAH-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000367160641 529037535 /nfs/dbraw/zinc/03/75/35/529037535.db2.gz RRHWZOZKKNYIRY-CQSZACIVSA-N 2 1 280.416 -0.071 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000040808781 529037659 /nfs/dbraw/zinc/03/76/59/529037659.db2.gz YPGLBAFWWFMESU-LBPRGKRZSA-N 2 1 256.394 -0.277 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000376455356 529279158 /nfs/dbraw/zinc/27/91/58/529279158.db2.gz QFTFEDSODFZKAO-YVECIDJPSA-N 2 1 285.388 -0.987 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000376455356 529279162 /nfs/dbraw/zinc/27/91/62/529279162.db2.gz QFTFEDSODFZKAO-YVECIDJPSA-N 2 1 285.388 -0.987 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357080868 536075229 /nfs/dbraw/zinc/07/52/29/536075229.db2.gz VFAHKNKDZQQBEN-NWDGAFQWSA-N 2 1 275.418 -0.191 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357080868 536075234 /nfs/dbraw/zinc/07/52/34/536075234.db2.gz VFAHKNKDZQQBEN-NWDGAFQWSA-N 2 1 275.418 -0.191 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[NH+](CCC2OCCO2)CC1 ZINC000124136273 582119801 /nfs/dbraw/zinc/11/98/01/582119801.db2.gz JEYVKUSIJIOKQX-UHFFFAOYSA-N 2 1 297.399 -0.011 20 0 CBADMP C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[NH+](C)CCO1 ZINC000677919998 582135088 /nfs/dbraw/zinc/13/50/88/582135088.db2.gz NUBKCYKYQZCILV-MJBXVCDLSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[NH+](C)CCO1 ZINC000677919998 582135090 /nfs/dbraw/zinc/13/50/90/582135090.db2.gz NUBKCYKYQZCILV-MJBXVCDLSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@H](NC(=O)[C@H]1C[NH+]2CCN1CCC2)[C@@H]1C[N@H+](C)CCO1 ZINC000677919998 582135092 /nfs/dbraw/zinc/13/50/92/582135092.db2.gz NUBKCYKYQZCILV-MJBXVCDLSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@H](NC(=O)[C@H]1C[NH+]2CCN1CCC2)[C@@H]1C[N@@H+](C)CCO1 ZINC000677919998 582135094 /nfs/dbraw/zinc/13/50/94/582135094.db2.gz NUBKCYKYQZCILV-MJBXVCDLSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1C[NH+](C)CCO1 ZINC000677919997 582135202 /nfs/dbraw/zinc/13/52/02/582135202.db2.gz NUBKCYKYQZCILV-MELADBBJSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1C[NH+](C)CCO1 ZINC000677919997 582135203 /nfs/dbraw/zinc/13/52/03/582135203.db2.gz NUBKCYKYQZCILV-MELADBBJSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@H](NC(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@H]1C[N@H+](C)CCO1 ZINC000677919997 582135205 /nfs/dbraw/zinc/13/52/05/582135205.db2.gz NUBKCYKYQZCILV-MELADBBJSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@H](NC(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@H]1C[N@@H+](C)CCO1 ZINC000677919997 582135206 /nfs/dbraw/zinc/13/52/06/582135206.db2.gz NUBKCYKYQZCILV-MELADBBJSA-N 2 1 296.415 -0.788 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000729529202 582146777 /nfs/dbraw/zinc/14/67/77/582146777.db2.gz NELNDSSBZZSGNL-AVGNSLFASA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000729529202 582146779 /nfs/dbraw/zinc/14/67/79/582146779.db2.gz NELNDSSBZZSGNL-AVGNSLFASA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000729529202 582146780 /nfs/dbraw/zinc/14/67/80/582146780.db2.gz NELNDSSBZZSGNL-AVGNSLFASA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC000732061642 582156096 /nfs/dbraw/zinc/15/60/96/582156096.db2.gz KOOULHCCZJSZSI-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC000732061642 582156097 /nfs/dbraw/zinc/15/60/97/582156097.db2.gz KOOULHCCZJSZSI-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP C[C@@H](CNC(=S)NCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000737459622 582239790 /nfs/dbraw/zinc/23/97/90/582239790.db2.gz CJIWSUZJPIIAQM-LBPRGKRZSA-N 2 1 288.461 -0.020 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[NH+](C)C ZINC000750017218 582290679 /nfs/dbraw/zinc/29/06/79/582290679.db2.gz KEBYRPAEYRPZQV-SDDRHHMPSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+](C)C ZINC000750017220 582290748 /nfs/dbraw/zinc/29/07/48/582290748.db2.gz KEBYRPAEYRPZQV-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP COCC[N@H+](C)CCCNC(=O)CC[NH+]1CCOCC1 ZINC000751328571 582292687 /nfs/dbraw/zinc/29/26/87/582292687.db2.gz BHJPTGGCMCHJKA-UHFFFAOYSA-N 2 1 287.404 -0.207 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)CC[NH+]1CCOCC1 ZINC000751328571 582292688 /nfs/dbraw/zinc/29/26/88/582292688.db2.gz BHJPTGGCMCHJKA-UHFFFAOYSA-N 2 1 287.404 -0.207 20 0 CBADMP COCC[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC000751368723 582292756 /nfs/dbraw/zinc/29/27/56/582292756.db2.gz JORCRFCACALFJY-UHFFFAOYSA-N 2 1 299.415 -0.064 20 0 CBADMP CC[N@@H+](CCO)CCNC(=S)NCC[NH+](C)C ZINC000768786540 582334654 /nfs/dbraw/zinc/33/46/54/582334654.db2.gz VFODOQCIMWTCNH-UHFFFAOYSA-N 2 1 262.423 -0.674 20 0 CBADMP O[C@H](CN1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000773480338 582347658 /nfs/dbraw/zinc/34/76/58/582347658.db2.gz ILMWUTGALBXMFR-GJZGRUSLSA-N 2 1 283.416 -0.150 20 0 CBADMP CNC(=O)[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000788487577 582386226 /nfs/dbraw/zinc/38/62/26/582386226.db2.gz CGJNQWXFARONGB-LBPRGKRZSA-N 2 1 255.362 -0.225 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C1CC[NH+](C)CC1 ZINC000799147478 582418731 /nfs/dbraw/zinc/41/87/31/582418731.db2.gz MOJOBJHALMLQTA-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP Cn1ncc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC000815139204 582461404 /nfs/dbraw/zinc/46/14/04/582461404.db2.gz BFEAYSYRAABHJV-UHFFFAOYSA-N 2 1 266.393 -0.069 20 0 CBADMP Cn1ncc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000815139204 582461405 /nfs/dbraw/zinc/46/14/05/582461405.db2.gz BFEAYSYRAABHJV-UHFFFAOYSA-N 2 1 266.393 -0.069 20 0 CBADMP NC(=O)NC(=O)CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818985930 582524245 /nfs/dbraw/zinc/52/42/45/582524245.db2.gz AIBBOFICRPZSNJ-UWVGGRQHSA-N 2 1 270.333 -0.976 20 0 CBADMP NC(=O)NC(=O)CC[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818985930 582524246 /nfs/dbraw/zinc/52/42/46/582524246.db2.gz AIBBOFICRPZSNJ-UWVGGRQHSA-N 2 1 270.333 -0.976 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)C2CC2)C1 ZINC000819004021 582524779 /nfs/dbraw/zinc/52/47/79/582524779.db2.gz JOLWILOZCLXSOD-QWHCGFSZSA-N 2 1 269.389 -0.066 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)C2CC2)CC1 ZINC000819062488 582525580 /nfs/dbraw/zinc/52/55/80/582525580.db2.gz QVEAKLKSXYBHRB-LBPRGKRZSA-N 2 1 255.362 -0.489 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000822724847 582645178 /nfs/dbraw/zinc/64/51/78/582645178.db2.gz ZEWKIPCLXJWHNH-ZDUSSCGKSA-N 2 1 266.389 -0.412 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000822933319 582653418 /nfs/dbraw/zinc/65/34/18/582653418.db2.gz DFPCRHYJEANQIW-QWHCGFSZSA-N 2 1 267.373 -0.250 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[NH+]1CCCC1 ZINC000824882090 582714427 /nfs/dbraw/zinc/71/44/27/582714427.db2.gz NBGLXPJULJWIGG-LBPRGKRZSA-N 2 1 282.388 -0.462 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1([NH+](C)C)CCC1 ZINC000825294056 582731446 /nfs/dbraw/zinc/73/14/46/582731446.db2.gz ZEMRXNFWNTXHJH-UHFFFAOYSA-N 2 1 296.415 -0.297 20 0 CBADMP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000827936809 582836361 /nfs/dbraw/zinc/83/63/61/582836361.db2.gz WGIAEIDUZIMEMO-RDBSUJKOSA-N 2 1 297.399 -0.266 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000828357940 582853821 /nfs/dbraw/zinc/85/38/21/582853821.db2.gz GNDDQCOUVSGZIK-OLZOCXBDSA-N 2 1 296.415 -0.183 20 0 CBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484710 582888096 /nfs/dbraw/zinc/88/80/96/582888096.db2.gz WLBLZKKAZCCXTA-IUODEOHRSA-N 2 1 298.406 -0.027 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484710 582888097 /nfs/dbraw/zinc/88/80/97/582888097.db2.gz WLBLZKKAZCCXTA-IUODEOHRSA-N 2 1 298.406 -0.027 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)[C@@]1(F)CC[NH2+]C1 ZINC000829478977 582888182 /nfs/dbraw/zinc/88/81/82/582888182.db2.gz QDJDYZAJSYHWDM-LLVKDONJSA-N 2 1 261.366 -0.147 20 0 CBADMP CCO[C@H](CNC(=O)CN1CC[NH+](C)CC1)C[NH+](C)C ZINC000831745692 583000398 /nfs/dbraw/zinc/00/03/98/583000398.db2.gz VDRDDEJPZYJEIP-CYBMUJFWSA-N 2 1 286.420 -0.683 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831971477 583009437 /nfs/dbraw/zinc/00/94/37/583009437.db2.gz YLOJKXNEVFGEET-UWVGGRQHSA-N 2 1 257.334 -0.523 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831971477 583009439 /nfs/dbraw/zinc/00/94/39/583009439.db2.gz YLOJKXNEVFGEET-UWVGGRQHSA-N 2 1 257.334 -0.523 20 0 CBADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC(=O)N(CCCO)C1=O ZINC000840741503 583167101 /nfs/dbraw/zinc/16/71/01/583167101.db2.gz NMTDZGSWGMUKAE-ZDUSSCGKSA-N 2 1 297.399 -0.230 20 0 CBADMP O=C(NCC[NH2+]C1CC1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841790196 583174129 /nfs/dbraw/zinc/17/41/29/583174129.db2.gz AJDYWQUGAHQDSK-QWHCGFSZSA-N 2 1 282.388 -0.099 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@H]1CCC[NH2+]C1 ZINC000841790762 583174515 /nfs/dbraw/zinc/17/45/15/583174515.db2.gz JDIBMNFFJJBZMD-YNEHKIRRSA-N 2 1 282.388 -0.099 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@H]1CCC[NH2+]C1 ZINC000841790761 583174522 /nfs/dbraw/zinc/17/45/22/583174522.db2.gz JDIBMNFFJJBZMD-XQQFMLRXSA-N 2 1 282.388 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC[NH2+]C1CC1)C(C)C ZINC000842234310 583181720 /nfs/dbraw/zinc/18/17/20/583181720.db2.gz SHQCOIVZDHPHFA-UHFFFAOYSA-N 2 1 284.404 -0.299 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)c1cc(OC)ccc1OC ZINC000843082095 583200839 /nfs/dbraw/zinc/20/08/39/583200839.db2.gz XZIGTCYPTFGMHS-GWCFXTLKSA-N 2 1 284.356 -0.093 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC000843266933 583205748 /nfs/dbraw/zinc/20/57/48/583205748.db2.gz QMEBGFARUMIWNZ-GFCCVEGCSA-N 2 1 284.404 -0.168 20 0 CBADMP O=C(N1CC[NH2+]C[C@@H]1C(F)F)[C@@]1(F)CC[NH2+]C1 ZINC000843481159 583226475 /nfs/dbraw/zinc/22/64/75/583226475.db2.gz PQFPBRUCUAPKQS-GMSGAONNSA-N 2 1 251.252 -0.247 20 0 CBADMP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000843481543 583226848 /nfs/dbraw/zinc/22/68/48/583226848.db2.gz XTOPVHCEGCBVGW-ZJUUUORDSA-N 2 1 277.315 -0.180 20 0 CBADMP CC[NH+]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844165596 583255211 /nfs/dbraw/zinc/25/52/11/583255211.db2.gz KSVSSMJBWAGSTP-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[NH2+]CC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000844168834 583255606 /nfs/dbraw/zinc/25/56/06/583255606.db2.gz AGOFHLXXVJOFTM-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP CC[NH2+]CC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000844168834 583255608 /nfs/dbraw/zinc/25/56/08/583255608.db2.gz AGOFHLXXVJOFTM-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP C[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)C[NH+]1CCOCC1 ZINC000844179802 583257797 /nfs/dbraw/zinc/25/77/97/583257797.db2.gz ZIRHNRBZDUFEEH-UONOGXRCSA-N 2 1 299.415 -0.161 20 0 CBADMP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000844179003 583257964 /nfs/dbraw/zinc/25/79/64/583257964.db2.gz CLHONJJPYASAEF-MCIONIFRSA-N 2 1 297.399 -0.266 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844181274 583258388 /nfs/dbraw/zinc/25/83/88/583258388.db2.gz WYNYVKGFQBZHGF-JZRPKSSGSA-N 2 1 265.357 -0.569 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000846222559 583355990 /nfs/dbraw/zinc/35/59/90/583355990.db2.gz GKOPOCJPMKLRLA-JFGNBEQYSA-N 2 1 257.334 -0.613 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000846222559 583355991 /nfs/dbraw/zinc/35/59/91/583355991.db2.gz GKOPOCJPMKLRLA-JFGNBEQYSA-N 2 1 257.334 -0.613 20 0 CBADMP C[N@H+]1CCC[C@H](CN[C@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000846701396 583384862 /nfs/dbraw/zinc/38/48/62/583384862.db2.gz FQGXWTPZJKCWSO-NEPJUHHUSA-N 2 1 283.372 -0.572 20 0 CBADMP O[C@H](CN1CCN(c2[nH]cc[nH+]2)CC1)C[NH+]1CCCC1 ZINC000846876988 583390867 /nfs/dbraw/zinc/39/08/67/583390867.db2.gz CLFCAVUOHNJFKT-ZDUSSCGKSA-N 2 1 279.388 -0.012 20 0 CBADMP CN(C)C(=[NH2+])NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000848999948 583465949 /nfs/dbraw/zinc/46/59/49/583465949.db2.gz BYEVPZAAHYCDRK-SNVBAGLBSA-N 2 1 255.366 -0.340 20 0 CBADMP Cc1noc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000848999689 583465956 /nfs/dbraw/zinc/46/59/56/583465956.db2.gz FONUHRIKVRHTEU-UHFFFAOYSA-N 2 1 296.375 -0.243 20 0 CBADMP COCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000849005429 583466875 /nfs/dbraw/zinc/46/68/75/583466875.db2.gz DWYYFWFODUNUGN-LLVKDONJSA-N 2 1 258.366 -0.285 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOCCO ZINC000849016497 583468261 /nfs/dbraw/zinc/46/82/61/583468261.db2.gz KPMOGNPKEKSUQE-GFCCVEGCSA-N 2 1 272.393 -0.016 20 0 CBADMP CC1(C)[C@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C[C@@H]1O ZINC000849020432 583468808 /nfs/dbraw/zinc/46/88/08/583468808.db2.gz LSZAINDYYLAEQU-NEPJUHHUSA-N 2 1 284.404 -0.018 20 0 CBADMP CCOCCCNC(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000849037750 583470660 /nfs/dbraw/zinc/47/06/60/583470660.db2.gz ALSFWTWBRJXLHC-UHFFFAOYSA-N 2 1 272.393 -0.016 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CNC(=O)C1 ZINC000849041472 583471411 /nfs/dbraw/zinc/47/14/11/583471411.db2.gz GMXSGOBONMJEEO-GHMZBOCLSA-N 2 1 267.377 -0.279 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CNC(=O)C1 ZINC000849041474 583471483 /nfs/dbraw/zinc/47/14/83/583471483.db2.gz GMXSGOBONMJEEO-QWRGUYRKSA-N 2 1 267.377 -0.279 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCN1CCCC1=O ZINC000849047667 583471973 /nfs/dbraw/zinc/47/19/73/583471973.db2.gz RCCVZLQZLVMFRT-UHFFFAOYSA-N 2 1 297.403 -0.555 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@](C)(CO)OC ZINC000849048493 583472054 /nfs/dbraw/zinc/47/20/54/583472054.db2.gz IBLPEEWBORERPV-WCQYABFASA-N 2 1 272.393 -0.018 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC2=[NH+]CCCCN2)C1 ZINC000849216095 583474030 /nfs/dbraw/zinc/47/40/30/583474030.db2.gz UHCRDNOVRDHAGR-LBPRGKRZSA-N 2 1 281.404 -0.097 20 0 CBADMP CN(CCC[NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000851657289 583518364 /nfs/dbraw/zinc/51/83/64/583518364.db2.gz WOQGUCJMNWNSRM-NEPJUHHUSA-N 2 1 270.377 -0.160 20 0 CBADMP NC(=O)[C@@](O)(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000851731979 583523911 /nfs/dbraw/zinc/52/39/11/583523911.db2.gz FUYCDUVLGOWEDC-TYNCELHUSA-N 2 1 275.352 -0.489 20 0 CBADMP CON(C)C(=O)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852708326 583550835 /nfs/dbraw/zinc/55/08/35/583550835.db2.gz XGZRZYUSWVYHCO-CYBMUJFWSA-N 2 1 285.388 -0.073 20 0 CBADMP CON(C)C(=O)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852708326 583550837 /nfs/dbraw/zinc/55/08/37/583550837.db2.gz XGZRZYUSWVYHCO-CYBMUJFWSA-N 2 1 285.388 -0.073 20 0 CBADMP O[C@@H](CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)C[NH+]1CCCC1 ZINC000852710296 583550863 /nfs/dbraw/zinc/55/08/63/583550863.db2.gz NGVVGWNXYXCUIH-HZPDHXFCSA-N 2 1 297.443 -0.026 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000852743203 583551329 /nfs/dbraw/zinc/55/13/29/583551329.db2.gz BBZDAMPGAXYEIV-VXGBXAGGSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000852743203 583551331 /nfs/dbraw/zinc/55/13/31/583551331.db2.gz BBZDAMPGAXYEIV-VXGBXAGGSA-N 2 1 283.372 -0.179 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852853957 583561078 /nfs/dbraw/zinc/56/10/78/583561078.db2.gz AHMOVTNCUPRPOI-ZJUUUORDSA-N 2 1 254.334 -0.310 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852856287 583561549 /nfs/dbraw/zinc/56/15/49/583561549.db2.gz YBPBSOYJZBRNNP-NEPJUHHUSA-N 2 1 298.387 -0.437 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)=NO1 ZINC000852859323 583562193 /nfs/dbraw/zinc/56/21/93/583562193.db2.gz RMCQVMPKXMNIKC-VWYCJHECSA-N 2 1 266.345 -0.167 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852861762 583562812 /nfs/dbraw/zinc/56/28/12/583562812.db2.gz IYKFCZBIFRGXJK-GHMZBOCLSA-N 2 1 268.361 -0.064 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852864139 583563559 /nfs/dbraw/zinc/56/35/59/583563559.db2.gz XHBQVCFUPJGIET-UWVGGRQHSA-N 2 1 254.334 -0.452 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852865150 583564018 /nfs/dbraw/zinc/56/40/18/583564018.db2.gz SLMFQYRLPVWQME-WDEREUQCSA-N 2 1 284.360 -0.683 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852865147 583564124 /nfs/dbraw/zinc/56/41/24/583564124.db2.gz SLMFQYRLPVWQME-GHMZBOCLSA-N 2 1 284.360 -0.683 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852870795 583565068 /nfs/dbraw/zinc/56/50/68/583565068.db2.gz YEIWPSDZRNOVNG-VHSXEESVSA-N 2 1 254.334 -0.452 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852870793 583565146 /nfs/dbraw/zinc/56/51/46/583565146.db2.gz YEIWPSDZRNOVNG-UWVGGRQHSA-N 2 1 254.334 -0.452 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000852872791 583565519 /nfs/dbraw/zinc/56/55/19/583565519.db2.gz RFZAMCYSNKKKJG-FXPVBKGRSA-N 2 1 266.345 -0.169 20 0 CBADMP C[C@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)CN1CC[NH+](C)CC1 ZINC000852873120 583565654 /nfs/dbraw/zinc/56/56/54/583565654.db2.gz PNFNGXIJWBWYBA-NEPJUHHUSA-N 2 1 297.403 -0.910 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852880903 583566759 /nfs/dbraw/zinc/56/67/59/583566759.db2.gz GAYDGUHHJATSTH-GZMMTYOYSA-N 2 1 258.297 -0.750 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852892729 583570301 /nfs/dbraw/zinc/57/03/01/583570301.db2.gz JSAIYSBCDGVVEE-LLVKDONJSA-N 2 1 298.387 -0.341 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CCC1 ZINC000854352587 583599526 /nfs/dbraw/zinc/59/95/26/583599526.db2.gz GMFCVQOMVVINLS-CYBMUJFWSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCN1C=O ZINC000855345439 583636390 /nfs/dbraw/zinc/63/63/90/583636390.db2.gz AJOWSSLDWVODES-UONOGXRCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCN1C=O ZINC000855345439 583636393 /nfs/dbraw/zinc/63/63/93/583636393.db2.gz AJOWSSLDWVODES-UONOGXRCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000857101903 583664308 /nfs/dbraw/zinc/66/43/08/583664308.db2.gz SUZIIDRSGWDSAY-NSHDSACASA-N 2 1 285.392 -0.813 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000857102652 583664417 /nfs/dbraw/zinc/66/44/17/583664417.db2.gz ITNAMNFNJNQMGO-TUAOUCFPSA-N 2 1 270.377 -0.114 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[C@H](C)[NH3+] ZINC000857102989 583664672 /nfs/dbraw/zinc/66/46/72/583664672.db2.gz YNPLZIRSGZTWCA-NWDGAFQWSA-N 2 1 271.409 -0.341 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC[C@H](C)[NH3+])[C@H](C)C1 ZINC000857108939 583665212 /nfs/dbraw/zinc/66/52/12/583665212.db2.gz SQJMOYUFVDCDOH-QJPTWQEYSA-N 2 1 272.393 -0.180 20 0 CBADMP CN(CCC[NH2+]Cc1cnn(C)n1)CC[NH+](C)C ZINC000857783823 583683830 /nfs/dbraw/zinc/68/38/30/583683830.db2.gz DALYTMLPCYOQGQ-UHFFFAOYSA-N 2 1 254.382 -0.212 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000861554035 583770373 /nfs/dbraw/zinc/77/03/73/583770373.db2.gz JKIRUQXRJNAUFN-NSHDSACASA-N 2 1 285.392 -0.861 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H]1CC[NH2+]C1 ZINC000861573248 583771267 /nfs/dbraw/zinc/77/12/67/583771267.db2.gz CRAMTENYEWFRCZ-UTUOFQBUSA-N 2 1 268.361 -0.489 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000861730036 583781931 /nfs/dbraw/zinc/78/19/31/583781931.db2.gz JTFJKHHKCTYPPP-WDEREUQCSA-N 2 1 296.371 -0.196 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000861740784 583782653 /nfs/dbraw/zinc/78/26/53/583782653.db2.gz VNISEAGIIXBYPZ-SECBINFHSA-N 2 1 256.350 -0.998 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861753492 583784216 /nfs/dbraw/zinc/78/42/16/583784216.db2.gz XWXYTENSNPYRDC-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861763206 583785159 /nfs/dbraw/zinc/78/51/59/583785159.db2.gz LXLDNYQPSCWSSZ-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861763204 583785171 /nfs/dbraw/zinc/78/51/71/583785171.db2.gz LXLDNYQPSCWSSZ-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000861772993 583785651 /nfs/dbraw/zinc/78/56/51/583785651.db2.gz GDJVZTCKLWCDIP-TUAOUCFPSA-N 2 1 282.388 -0.465 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861771966 583785719 /nfs/dbraw/zinc/78/57/19/583785719.db2.gz MBQZQCNGXAKVRZ-NSHDSACASA-N 2 1 272.393 -0.360 20 0 CBADMP C[NH+](C)CCNC(=S)NCC[N@H+]1CC[C@H](O)C1 ZINC000863253348 583835904 /nfs/dbraw/zinc/83/59/04/583835904.db2.gz NYCBHMVQXHNEOF-JTQLQIEISA-N 2 1 260.407 -0.921 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863754356 583853021 /nfs/dbraw/zinc/85/30/21/583853021.db2.gz QRFCWMZQRMTMKB-GFCCVEGCSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000863755191 583853167 /nfs/dbraw/zinc/85/31/67/583853167.db2.gz LDSAXOCTGMIRST-CMPLNLGQSA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000863758179 583853648 /nfs/dbraw/zinc/85/36/48/583853648.db2.gz WOHMSHWPHCHPOH-LLVKDONJSA-N 2 1 282.388 -0.511 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+])[C@H](C)C1 ZINC000863761441 583854370 /nfs/dbraw/zinc/85/43/70/583854370.db2.gz HFVMCIQAJKPHGY-AGIUHOORSA-N 2 1 298.431 -0.019 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863764701 583854744 /nfs/dbraw/zinc/85/47/44/583854744.db2.gz VUSJHBPYJIXXIH-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863769082 583855534 /nfs/dbraw/zinc/85/55/34/583855534.db2.gz JBVMOYFVDVWIQH-VXGBXAGGSA-N 2 1 284.404 -0.267 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000863769564 583855732 /nfs/dbraw/zinc/85/57/32/583855732.db2.gz LFZYVCFOQDYKGD-WDEREUQCSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]C[C@@]23COCCN2C(=O)COC3)CC[N@H+]1C ZINC000866554167 583924125 /nfs/dbraw/zinc/92/41/25/583924125.db2.gz GAZPJVIPFBMPAU-NFAWXSAZSA-N 2 1 297.399 -0.314 20 0 CBADMP Cn1nnnc1CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866662260 583926231 /nfs/dbraw/zinc/92/62/31/583926231.db2.gz ZVRRUZHJPXHGBU-UHFFFAOYSA-N 2 1 250.350 -0.172 20 0 CBADMP CNC(=O)NC[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000866685172 583926981 /nfs/dbraw/zinc/92/69/81/583926981.db2.gz CPPQMKZKSREFFB-NSHDSACASA-N 2 1 258.366 -0.255 20 0 CBADMP C[N@H+]1CC[C@H]2CN(CCN3CC[NH2+]CC3)CC[C@H]21 ZINC000866703364 583927763 /nfs/dbraw/zinc/92/77/63/583927763.db2.gz HQKXUDYBSKBANM-UONOGXRCSA-N 2 1 252.406 -0.082 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]2C1=O ZINC000866701079 583927774 /nfs/dbraw/zinc/92/77/74/583927774.db2.gz FJFVGYUNUKVMNC-PHIMTYICSA-N 2 1 251.330 -0.467 20 0 CBADMP CCOC(=O)CC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711096 583928015 /nfs/dbraw/zinc/92/80/15/583928015.db2.gz BVRYIUKWCVHLKP-TUAOUCFPSA-N 2 1 297.355 -0.194 20 0 CBADMP Cn1nccc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711381 583928142 /nfs/dbraw/zinc/92/81/42/583928142.db2.gz JOQBDCHWUOOQDD-UPJWGTAASA-N 2 1 291.355 -0.213 20 0 CBADMP Cn1nccc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711381 583928144 /nfs/dbraw/zinc/92/81/44/583928144.db2.gz JOQBDCHWUOOQDD-UPJWGTAASA-N 2 1 291.355 -0.213 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712490 583928308 /nfs/dbraw/zinc/92/83/08/583928308.db2.gz UPWMMXDXUDEZIX-YTWAJWBKSA-N 2 1 282.344 -0.883 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712490 583928309 /nfs/dbraw/zinc/92/83/09/583928309.db2.gz UPWMMXDXUDEZIX-YTWAJWBKSA-N 2 1 282.344 -0.883 20 0 CBADMP [NH3+]CCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713995 583928333 /nfs/dbraw/zinc/92/83/33/583928333.db2.gz CQBYQASYRKXLMO-AXFHLTTASA-N 3 1 254.334 -0.798 20 0 CBADMP [NH3+]CCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713995 583928334 /nfs/dbraw/zinc/92/83/34/583928334.db2.gz CQBYQASYRKXLMO-AXFHLTTASA-N 3 1 254.334 -0.798 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000866717884 583928575 /nfs/dbraw/zinc/92/85/75/583928575.db2.gz SMKTXHIDEJCCTJ-MNOVXSKESA-N 2 1 250.350 -0.174 20 0 CBADMP Cn1nnnc1CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000866717884 583928577 /nfs/dbraw/zinc/92/85/77/583928577.db2.gz SMKTXHIDEJCCTJ-MNOVXSKESA-N 2 1 250.350 -0.174 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867323966 583948281 /nfs/dbraw/zinc/94/82/81/583948281.db2.gz OGDNFVNUUVCVSI-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868385513 583976527 /nfs/dbraw/zinc/97/65/27/583976527.db2.gz SZXDDSJLMHUIMT-JHJVBQTASA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000868388221 583976689 /nfs/dbraw/zinc/97/66/89/583976689.db2.gz XAGAGOWKFGQUFI-YNEHKIRRSA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000868390784 583977118 /nfs/dbraw/zinc/97/71/18/583977118.db2.gz PXWCOQAAFOBMBG-SRVKXCTJSA-N 2 1 280.372 -0.901 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CCC1(C)C ZINC000868404787 583977743 /nfs/dbraw/zinc/97/77/43/583977743.db2.gz GHVXKDPEXALZQC-NSHDSACASA-N 2 1 282.388 -0.511 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000868407678 583978217 /nfs/dbraw/zinc/97/82/17/583978217.db2.gz ZYWKHQIPORQNHY-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870982277 584023811 /nfs/dbraw/zinc/02/38/11/584023811.db2.gz MEFJBTJPWXUSOH-WOPDTQHZSA-N 2 1 255.362 -0.097 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000870980632 584023994 /nfs/dbraw/zinc/02/39/94/584023994.db2.gz AAHUJWKTDVPIIU-IJLUTSLNSA-N 2 1 253.346 -0.473 20 0 CBADMP O=C1C[NH2+]CCN1Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871791364 584045938 /nfs/dbraw/zinc/04/59/38/584045938.db2.gz AOKOFRDGYYYVEA-FGWVZKOKSA-N 2 1 291.355 -0.001 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154364 584048105 /nfs/dbraw/zinc/04/81/05/584048105.db2.gz YIMPNEFXAWOVNO-WDEREUQCSA-N 2 1 261.391 -0.533 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154364 584048107 /nfs/dbraw/zinc/04/81/07/584048107.db2.gz YIMPNEFXAWOVNO-WDEREUQCSA-N 2 1 261.391 -0.533 20 0 CBADMP Cn1nnnc1CC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872149855 584048225 /nfs/dbraw/zinc/04/82/25/584048225.db2.gz RGUAHNWDDXOIGM-YUMQZZPRSA-N 2 1 278.282 -0.178 20 0 CBADMP Cn1nnnc1CC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872149855 584048227 /nfs/dbraw/zinc/04/82/27/584048227.db2.gz RGUAHNWDDXOIGM-YUMQZZPRSA-N 2 1 278.282 -0.178 20 0 CBADMP O=C1CC2(CCC2)[N@@H+](CCN2CC[NH2+]CC2)CCN1 ZINC000872157893 584048462 /nfs/dbraw/zinc/04/84/62/584048462.db2.gz UCNYVAWWNMFLMF-UHFFFAOYSA-N 2 1 266.389 -0.364 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000872154688 584048550 /nfs/dbraw/zinc/04/85/50/584048550.db2.gz WGTPWEGXYQOVAL-YWPYICTPSA-N 2 1 295.383 -0.308 20 0 CBADMP C[N@@H+](C[C@H](O)CN[C@H]1CC[NH+](CC(C)(C)O)C1)C1CC1 ZINC000872217631 584050777 /nfs/dbraw/zinc/05/07/77/584050777.db2.gz BKZKVKBDGDALOD-GXTWGEPZSA-N 2 1 285.432 -0.124 20 0 CBADMP C[NH+](C[C@H](O)CN[C@H]1CC[N@H+](CC(C)(C)O)C1)C1CC1 ZINC000872217631 584050779 /nfs/dbraw/zinc/05/07/79/584050779.db2.gz BKZKVKBDGDALOD-GXTWGEPZSA-N 2 1 285.432 -0.124 20 0 CBADMP C[NH+](C[C@H](O)CN[C@H]1CC[N@@H+](CC(C)(C)O)C1)C1CC1 ZINC000872217631 584050780 /nfs/dbraw/zinc/05/07/80/584050780.db2.gz BKZKVKBDGDALOD-GXTWGEPZSA-N 2 1 285.432 -0.124 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@]12COC(=O)N1CCOC2)C1CC1 ZINC000872229438 584051684 /nfs/dbraw/zinc/05/16/84/584051684.db2.gz QTZITQJNXDXPLP-JSGCOSHPSA-N 2 1 299.371 -0.748 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@]12COC(=O)N1CCOC2)C1CC1 ZINC000872229438 584051685 /nfs/dbraw/zinc/05/16/85/584051685.db2.gz QTZITQJNXDXPLP-JSGCOSHPSA-N 2 1 299.371 -0.748 20 0 CBADMP C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)[C@H]1CCC[NH2+]1 ZINC000873249393 584069205 /nfs/dbraw/zinc/06/92/05/584069205.db2.gz NCZXUZUMCQQXBU-LOWVWBTDSA-N 2 1 269.345 -0.062 20 0 CBADMP C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)[C@H]1CCC[NH2+]1 ZINC000873264964 584069553 /nfs/dbraw/zinc/06/95/53/584069553.db2.gz FVUHYJYCNHIUQI-SCRDCRAPSA-N 2 1 283.372 -0.656 20 0 CBADMP CC[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)[C@@H]1CCC[NH2+]1 ZINC000873266487 584069890 /nfs/dbraw/zinc/06/98/90/584069890.db2.gz OATPMPTYWUPIHZ-IPYPFGDCSA-N 2 1 297.399 -0.266 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)CC1 ZINC000874837055 584092439 /nfs/dbraw/zinc/09/24/39/584092439.db2.gz HQFQDDAOBGXUQK-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)CC1 ZINC000874837055 584092440 /nfs/dbraw/zinc/09/24/40/584092440.db2.gz HQFQDDAOBGXUQK-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP COC[C@]1(C(=O)NCC[N@H+]2CCCC[C@@H]2C)C[NH2+]CCO1 ZINC000876722632 584140650 /nfs/dbraw/zinc/14/06/50/584140650.db2.gz AJLXYBULVMRABT-ZFWWWQNUSA-N 2 1 299.415 -0.018 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876725922 584140877 /nfs/dbraw/zinc/14/08/77/584140877.db2.gz QLFPQLFGUFTLPW-NEPJUHHUSA-N 2 1 296.415 -0.314 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876725925 584140960 /nfs/dbraw/zinc/14/09/60/584140960.db2.gz QLFPQLFGUFTLPW-VXGBXAGGSA-N 2 1 296.415 -0.314 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)c1c(C[NH3+])cnn1C ZINC000876728505 584141354 /nfs/dbraw/zinc/14/13/54/584141354.db2.gz OIRQDIGZMYOUMW-UHFFFAOYSA-N 2 1 283.376 -0.423 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876744940 584142046 /nfs/dbraw/zinc/14/20/46/584142046.db2.gz HTTKOUSIDYXMKW-WDEREUQCSA-N 2 1 261.341 -0.372 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876751283 584142310 /nfs/dbraw/zinc/14/23/10/584142310.db2.gz OIRHNYCOUCWYBG-HIFRSBDPSA-N 2 1 299.415 -0.018 20 0 CBADMP COC[C@]1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876755164 584142709 /nfs/dbraw/zinc/14/27/09/584142709.db2.gz SBTNSUNOVJWDFA-HIFRSBDPSA-N 2 1 297.399 -0.314 20 0 CBADMP COC[C@@]1(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876755161 584142782 /nfs/dbraw/zinc/14/27/82/584142782.db2.gz SBTNSUNOVJWDFA-DZGCQCFKSA-N 2 1 297.399 -0.314 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000876764416 584143299 /nfs/dbraw/zinc/14/32/99/584143299.db2.gz NKIHELBWUHIKQZ-MELADBBJSA-N 2 1 298.431 -0.365 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)c2c(C[NH3+])cnn2C)C1 ZINC000876772549 584143621 /nfs/dbraw/zinc/14/36/21/584143621.db2.gz DOXYOPRKPVWTJW-JTQLQIEISA-N 2 1 265.361 -0.050 20 0 CBADMP COC[C@]1(C(=O)NCC[N@H+]2CC[C@@H](C)C2)C[NH2+]CCO1 ZINC000876772777 584143968 /nfs/dbraw/zinc/14/39/68/584143968.db2.gz HOAQJSAMKMTLQA-OCCSQVGLSA-N 2 1 285.388 -0.551 20 0 CBADMP COC[C@@]1(C(=O)NCC[N@H+]2CC[C@@H](C)C2)C[NH2+]CCO1 ZINC000876772778 584143981 /nfs/dbraw/zinc/14/39/81/584143981.db2.gz HOAQJSAMKMTLQA-TZMCWYRMSA-N 2 1 285.388 -0.551 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876784086 584144690 /nfs/dbraw/zinc/14/46/90/584144690.db2.gz WKRISQISEIZFQB-QAMKJQMISA-N 2 1 280.416 -0.096 20 0 CBADMP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000876848516 584149471 /nfs/dbraw/zinc/14/94/71/584149471.db2.gz SQSSHCNYXYXQSV-OOPCZODUSA-N 2 1 267.373 -0.321 20 0 CBADMP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876854879 584150210 /nfs/dbraw/zinc/15/02/10/584150210.db2.gz XHAXLDHYZBQLBY-IWSPIJDZSA-N 2 1 265.279 -0.001 20 0 CBADMP COC[C@]1(C(=O)N(C)CC[N@@H+](C)C2CC2)C[NH2+]CCO1 ZINC000876898579 584153888 /nfs/dbraw/zinc/15/38/88/584153888.db2.gz UGPSZNCLTCNHNP-AWEZNQCLSA-N 2 1 285.388 -0.456 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000876914592 584154906 /nfs/dbraw/zinc/15/49/06/584154906.db2.gz FWMBJSIFCVTXTI-QWHCGFSZSA-N 2 1 277.372 -0.557 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)C[NH2+]CCO3)CC[C@H]21 ZINC000877248523 584172312 /nfs/dbraw/zinc/17/23/12/584172312.db2.gz AVTJHJZVNNVOAA-YRGRVCCFSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)CN3CC[NH2+]CC3)CC[C@@H]21 ZINC000877248579 584172328 /nfs/dbraw/zinc/17/23/28/584172328.db2.gz BQXAYBQIZHPFBV-STQMWFEESA-N 2 1 266.389 -0.556 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877250628 584172591 /nfs/dbraw/zinc/17/25/91/584172591.db2.gz QYSOXRZCVICPAW-OBJOEFQTSA-N 2 1 296.415 -0.362 20 0 CBADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CSC[NH2+]1 ZINC000877331928 584178863 /nfs/dbraw/zinc/17/88/63/584178863.db2.gz SUIVFRTXVXYHTF-QWRGUYRKSA-N 2 1 285.413 -0.076 20 0 CBADMP CN(CC[N@@H+](C)CCc1nnnn1C)C1CC[NH+](C)CC1 ZINC000878312557 584199028 /nfs/dbraw/zinc/19/90/28/584199028.db2.gz OHKDAXYBPWULGA-UHFFFAOYSA-N 2 1 295.435 -0.290 20 0 CBADMP CC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H]1O ZINC000878321677 584199711 /nfs/dbraw/zinc/19/97/11/584199711.db2.gz SGPJAOUYEHPCMO-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[N@H+](CCn2cnnn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878324958 584199933 /nfs/dbraw/zinc/19/99/33/584199933.db2.gz PPAAOAYGQUJLCG-KGLIPLIRSA-N 2 1 293.419 -0.369 20 0 CBADMP C[C@@H]1C[N@@H+](CCn2cnnn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878324958 584199935 /nfs/dbraw/zinc/19/99/35/584199935.db2.gz PPAAOAYGQUJLCG-KGLIPLIRSA-N 2 1 293.419 -0.369 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000878646220 584211904 /nfs/dbraw/zinc/21/19/04/584211904.db2.gz XJHBSCSZSAGHHK-GFCCVEGCSA-N 2 1 250.350 -0.220 20 0 CBADMP Cn1nnnc1CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000878646220 584211905 /nfs/dbraw/zinc/21/19/05/584211905.db2.gz XJHBSCSZSAGHHK-GFCCVEGCSA-N 2 1 250.350 -0.220 20 0 CBADMP Cn1nnnc1CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000878646220 584211906 /nfs/dbraw/zinc/21/19/06/584211906.db2.gz XJHBSCSZSAGHHK-GFCCVEGCSA-N 2 1 250.350 -0.220 20 0 CBADMP Cn1nnnc1CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000878646220 584211907 /nfs/dbraw/zinc/21/19/07/584211907.db2.gz XJHBSCSZSAGHHK-GFCCVEGCSA-N 2 1 250.350 -0.220 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)CC(C)(C)O)C1 ZINC000878866215 584219313 /nfs/dbraw/zinc/21/93/13/584219313.db2.gz RMFLTDPXFKLMOT-JSGCOSHPSA-N 2 1 274.405 -0.103 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)CC(C)(C)O)C1 ZINC000878866215 584219314 /nfs/dbraw/zinc/21/93/14/584219314.db2.gz RMFLTDPXFKLMOT-JSGCOSHPSA-N 2 1 274.405 -0.103 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535071 584239163 /nfs/dbraw/zinc/23/91/63/584239163.db2.gz FNRUHRNTFHZZQH-UTUOFQBUSA-N 2 1 283.372 -0.766 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535071 584239164 /nfs/dbraw/zinc/23/91/64/584239164.db2.gz FNRUHRNTFHZZQH-UTUOFQBUSA-N 2 1 283.372 -0.766 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535071 584239166 /nfs/dbraw/zinc/23/91/66/584239166.db2.gz FNRUHRNTFHZZQH-UTUOFQBUSA-N 2 1 283.372 -0.766 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535071 584239168 /nfs/dbraw/zinc/23/91/68/584239168.db2.gz FNRUHRNTFHZZQH-UTUOFQBUSA-N 2 1 283.372 -0.766 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879570991 584240826 /nfs/dbraw/zinc/24/08/26/584240826.db2.gz LBVHPACNYURCNZ-GHMZBOCLSA-N 2 1 268.361 -0.142 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879570991 584240827 /nfs/dbraw/zinc/24/08/27/584240827.db2.gz LBVHPACNYURCNZ-GHMZBOCLSA-N 2 1 268.361 -0.142 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879570991 584240829 /nfs/dbraw/zinc/24/08/29/584240829.db2.gz LBVHPACNYURCNZ-GHMZBOCLSA-N 2 1 268.361 -0.142 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879570991 584240831 /nfs/dbraw/zinc/24/08/31/584240831.db2.gz LBVHPACNYURCNZ-GHMZBOCLSA-N 2 1 268.361 -0.142 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592038 584242329 /nfs/dbraw/zinc/24/23/29/584242329.db2.gz CIEDWCYWVCNRGD-ZDUSSCGKSA-N 2 1 268.405 -0.038 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879996368 584258833 /nfs/dbraw/zinc/25/88/33/584258833.db2.gz BEBVNXXBYZMROU-CYBMUJFWSA-N 2 1 285.388 -0.718 20 0 CBADMP OC[C@H]1C=CC[N@H+]1CCOCC[NH+]1CC=C[C@H]1CO ZINC000880488579 584276168 /nfs/dbraw/zinc/27/61/68/584276168.db2.gz HVLQJTRPSYEBGA-OKILXGFUSA-N 2 1 268.357 -0.532 20 0 CBADMP OC[C@H]1C=CC[NH+]1CCOCC[N@@H+]1CC=C[C@H]1CO ZINC000880488579 584276170 /nfs/dbraw/zinc/27/61/70/584276170.db2.gz HVLQJTRPSYEBGA-OKILXGFUSA-N 2 1 268.357 -0.532 20 0 CBADMP OC[C@H]1C=CC[NH+]1CCOCC[N@H+]1CC=C[C@H]1CO ZINC000880488579 584276172 /nfs/dbraw/zinc/27/61/72/584276172.db2.gz HVLQJTRPSYEBGA-OKILXGFUSA-N 2 1 268.357 -0.532 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000882488582 584319129 /nfs/dbraw/zinc/31/91/29/584319129.db2.gz GQIQJOCMBWGRBV-CHWSQXEVSA-N 2 1 266.389 -0.413 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000882488582 584319131 /nfs/dbraw/zinc/31/91/31/584319131.db2.gz GQIQJOCMBWGRBV-CHWSQXEVSA-N 2 1 266.389 -0.413 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000882488582 584319132 /nfs/dbraw/zinc/31/91/32/584319132.db2.gz GQIQJOCMBWGRBV-CHWSQXEVSA-N 2 1 266.389 -0.413 20 0 CBADMP NS(=O)(=O)CCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000883428341 584341704 /nfs/dbraw/zinc/34/17/04/584341704.db2.gz RKMUPLUVTOALFK-LLVKDONJSA-N 2 1 261.391 -0.260 20 0 CBADMP NS(=O)(=O)CCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000883428341 584341706 /nfs/dbraw/zinc/34/17/06/584341706.db2.gz RKMUPLUVTOALFK-LLVKDONJSA-N 2 1 261.391 -0.260 20 0 CBADMP c1nnnn1CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000883429381 584342095 /nfs/dbraw/zinc/34/20/95/584342095.db2.gz TVISYXPPQNLZCJ-VXGBXAGGSA-N 2 1 250.350 -0.005 20 0 CBADMP CO[C@@H]1COCC[C@H]1[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000883461590 584343188 /nfs/dbraw/zinc/34/31/88/584343188.db2.gz YIETWJAGTJZHGO-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000884180297 584364483 /nfs/dbraw/zinc/36/44/83/584364483.db2.gz SQZZNFHFULABBT-STQMWFEESA-N 2 1 287.404 -0.177 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884213778 584367613 /nfs/dbraw/zinc/36/76/13/584367613.db2.gz KYMQEHSBEPGVRM-NEPJUHHUSA-N 2 1 255.362 -0.049 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000884220588 584368577 /nfs/dbraw/zinc/36/85/77/584368577.db2.gz XJBMAWCCAMILIZ-AVGNSLFASA-N 2 1 285.388 -0.280 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389990 584378305 /nfs/dbraw/zinc/37/83/05/584378305.db2.gz LJMRNSVMEONFDG-FVCCEPFGSA-N 2 1 287.404 -0.036 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389990 584378307 /nfs/dbraw/zinc/37/83/07/584378307.db2.gz LJMRNSVMEONFDG-FVCCEPFGSA-N 2 1 287.404 -0.036 20 0 CBADMP CCN(C(=O)C(=O)NCCn1cc[nH+]c1C)[C@@H]1CC[NH2+]C1 ZINC000884545799 584387320 /nfs/dbraw/zinc/38/73/20/584387320.db2.gz ROIXXIIRJZZSTN-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884545490 584387374 /nfs/dbraw/zinc/38/73/74/584387374.db2.gz JCPORPKGBJSIPH-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884554371 584387847 /nfs/dbraw/zinc/38/78/47/584387847.db2.gz RYJLYVWCCRENMC-BLFANLJRSA-N 2 1 294.399 -0.467 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884555052 584387888 /nfs/dbraw/zinc/38/78/88/584387888.db2.gz JWDJVUVABAXPJR-CMPLNLGQSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000884577192 584388807 /nfs/dbraw/zinc/38/88/07/584388807.db2.gz ZHVOOZYHUPBKCV-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884626142 584391732 /nfs/dbraw/zinc/39/17/32/584391732.db2.gz BFGHDCVWKLITKH-XQHKEYJVSA-N 2 1 294.399 -0.323 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884658905 584393137 /nfs/dbraw/zinc/39/31/37/584393137.db2.gz CBXDLYBJXWDCMS-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCC[NH3+])CC[C@H]21 ZINC000884673000 584394220 /nfs/dbraw/zinc/39/42/20/584394220.db2.gz JVMVOKLJVBKAJD-WDEREUQCSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCC1(C)C ZINC000884673818 584394464 /nfs/dbraw/zinc/39/44/64/584394464.db2.gz GUTGIVKNSJKALU-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884675427 584394591 /nfs/dbraw/zinc/39/45/91/584394591.db2.gz CKOKQGKFPBAICN-UHFFFAOYSA-N 2 1 270.377 -0.735 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884675427 584394594 /nfs/dbraw/zinc/39/45/94/584394594.db2.gz CKOKQGKFPBAICN-UHFFFAOYSA-N 2 1 270.377 -0.735 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CCC1(C)C ZINC000884675572 584394659 /nfs/dbraw/zinc/39/46/59/584394659.db2.gz HYPUHYBLXYJMIP-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884676537 584394896 /nfs/dbraw/zinc/39/48/96/584394896.db2.gz PIDVNTLUEZSNCC-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884676537 584394898 /nfs/dbraw/zinc/39/48/98/584394898.db2.gz PIDVNTLUEZSNCC-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884676516 584394976 /nfs/dbraw/zinc/39/49/76/584394976.db2.gz PAGYAWCLNKHLNA-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000884678321 584395162 /nfs/dbraw/zinc/39/51/62/584395162.db2.gz WYXAWPXKWCIXBD-UTUOFQBUSA-N 2 1 280.372 -0.983 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC[C@@H]21 ZINC000884678753 584395417 /nfs/dbraw/zinc/39/54/17/584395417.db2.gz LSWZRDMAHKWYQD-AGIUHOORSA-N 2 1 294.399 -0.608 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1(C)C ZINC000884689917 584397014 /nfs/dbraw/zinc/39/70/14/584397014.db2.gz DHJGJPABOJRCFD-UHFFFAOYSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1(C)C ZINC000884689917 584397016 /nfs/dbraw/zinc/39/70/16/584397016.db2.gz DHJGJPABOJRCFD-UHFFFAOYSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000884692512 584397576 /nfs/dbraw/zinc/39/75/76/584397576.db2.gz FDOKXZAAQMHGIM-AVGNSLFASA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1(C)C ZINC000884694703 584398492 /nfs/dbraw/zinc/39/84/92/584398492.db2.gz UOYPXQPUUKABDO-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1(C)C ZINC000884694703 584398494 /nfs/dbraw/zinc/39/84/94/584398494.db2.gz UOYPXQPUUKABDO-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884704278 584398970 /nfs/dbraw/zinc/39/89/70/584398970.db2.gz ZLHSBQAFRZZMLI-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884704278 584398972 /nfs/dbraw/zinc/39/89/72/584398972.db2.gz ZLHSBQAFRZZMLI-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CCC1(C)C ZINC000884714832 584399772 /nfs/dbraw/zinc/39/97/72/584399772.db2.gz BOSVZXAQPFQIRT-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884722999 584400706 /nfs/dbraw/zinc/40/07/06/584400706.db2.gz UFAVEBHRTYVPOF-AGIUHOORSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000884824599 584403989 /nfs/dbraw/zinc/40/39/89/584403989.db2.gz DGAXYCJCMGBOMZ-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)([NH3+])CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000885199187 584409909 /nfs/dbraw/zinc/40/99/09/584409909.db2.gz QFDZISHJVWJAPK-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885198663 584410013 /nfs/dbraw/zinc/41/00/13/584410013.db2.gz AARVORKTFJESJW-LLVKDONJSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000885202876 584410179 /nfs/dbraw/zinc/41/01/79/584410179.db2.gz IXABCSAHYRTTNQ-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])NCC(F)F)CC1 ZINC000887348383 584466775 /nfs/dbraw/zinc/46/67/75/584466775.db2.gz GUPHIOVNGBJTKQ-UHFFFAOYSA-N 2 1 277.319 -0.470 20 0 CBADMP CC[N@@H+](C)C[C@H](O)Cn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887451202 584468156 /nfs/dbraw/zinc/46/81/56/584468156.db2.gz IXRLIZNRPJISKH-OCCSQVGLSA-N 2 1 296.419 -0.486 20 0 CBADMP C[NH+](C)CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889768765 584536224 /nfs/dbraw/zinc/53/62/24/584536224.db2.gz GYIULPCZENSDSU-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP C[NH+](C)CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889768765 584536226 /nfs/dbraw/zinc/53/62/26/584536226.db2.gz GYIULPCZENSDSU-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000890056201 584539643 /nfs/dbraw/zinc/53/96/43/584539643.db2.gz RJTSXLMRXWSNRV-RYUDHWBXSA-N 2 1 270.377 -0.554 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000890056201 584539645 /nfs/dbraw/zinc/53/96/45/584539645.db2.gz RJTSXLMRXWSNRV-RYUDHWBXSA-N 2 1 270.377 -0.554 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000890056201 584539647 /nfs/dbraw/zinc/53/96/47/584539647.db2.gz RJTSXLMRXWSNRV-RYUDHWBXSA-N 2 1 270.377 -0.554 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000891513940 584583466 /nfs/dbraw/zinc/58/34/66/584583466.db2.gz KHPDEANIMLUKMJ-CYDGBPFRSA-N 2 1 282.388 -0.114 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000891540841 584584717 /nfs/dbraw/zinc/58/47/17/584584717.db2.gz YVPCAZHJVWERKL-GRYCIOLGSA-N 2 1 269.393 -0.637 20 0 CBADMP CCN(C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@H]1CC[NH2+]C1 ZINC000891540393 584584840 /nfs/dbraw/zinc/58/48/40/584584840.db2.gz QALNIDLXVSHAOV-STQMWFEESA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891540604 584584845 /nfs/dbraw/zinc/58/48/45/584584845.db2.gz USARHJLEOWQKPS-KCQAQPDRSA-N 2 1 295.431 -0.517 20 0 CBADMP C[C@H](NC(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000891698976 584590330 /nfs/dbraw/zinc/59/03/30/584590330.db2.gz WFIFVZKEBPDUDR-TUAOUCFPSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@H](NC(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000891698976 584590333 /nfs/dbraw/zinc/59/03/33/584590333.db2.gz WFIFVZKEBPDUDR-TUAOUCFPSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000891698970 584590509 /nfs/dbraw/zinc/59/05/09/584590509.db2.gz WBDKIYZBGZNMSO-PWNZVWSESA-N 2 1 296.415 -0.044 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000891698970 584590511 /nfs/dbraw/zinc/59/05/11/584590511.db2.gz WBDKIYZBGZNMSO-PWNZVWSESA-N 2 1 296.415 -0.044 20 0 CBADMP C[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000891698974 584590607 /nfs/dbraw/zinc/59/06/07/584590607.db2.gz WFIFVZKEBPDUDR-IJLUTSLNSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000891698974 584590610 /nfs/dbraw/zinc/59/06/10/584590610.db2.gz WFIFVZKEBPDUDR-IJLUTSLNSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC[N@H+]1CCCOCC1 ZINC000891919842 584594475 /nfs/dbraw/zinc/59/44/75/584594475.db2.gz URNQFKZMTIMKNV-RYUDHWBXSA-N 2 1 270.377 -0.160 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCCC[NH3+])C1 ZINC000891985210 584597121 /nfs/dbraw/zinc/59/71/21/584597121.db2.gz YNKSMYDHHISVIM-JTQLQIEISA-N 2 1 258.366 -0.520 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000892024129 584599294 /nfs/dbraw/zinc/59/92/94/584599294.db2.gz OCMDUPBAIJJFDD-RYUDHWBXSA-N 2 1 284.404 -0.132 20 0 CBADMP COCC[NH2+]CCNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000892051721 584601606 /nfs/dbraw/zinc/60/16/06/584601606.db2.gz WUELXHVLTYUYES-CHWSQXEVSA-N 2 1 284.404 -0.042 20 0 CBADMP COCC[NH2+]CCNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000892051726 584601621 /nfs/dbraw/zinc/60/16/21/584601621.db2.gz WUELXHVLTYUYES-STQMWFEESA-N 2 1 284.404 -0.042 20 0 CBADMP CCN(C(=O)NCC(F)(F)C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892065198 584602810 /nfs/dbraw/zinc/60/28/10/584602810.db2.gz NKSZCRJFOISCQP-MRVPVSSYSA-N 2 1 250.293 -0.026 20 0 CBADMP C[NH2+]CCOCCNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000892282032 584612157 /nfs/dbraw/zinc/61/21/57/584612157.db2.gz KCEVUARZJJRBDO-CHWSQXEVSA-N 2 1 284.404 -0.042 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3COCC[NH2+]3)CC[C@@H]21 ZINC000892288991 584612946 /nfs/dbraw/zinc/61/29/46/584612946.db2.gz IMBLIFYODRYUTE-AGIUHOORSA-N 2 1 282.388 -0.290 20 0 CBADMP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000892430335 584616787 /nfs/dbraw/zinc/61/67/87/584616787.db2.gz HEQVJKNAAPGWQV-AVGNSLFASA-N 2 1 284.404 -0.130 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892593015 584620520 /nfs/dbraw/zinc/62/05/20/584620520.db2.gz GCNOYBHECGXUTI-XFMPKHEZSA-N 2 1 296.415 -0.117 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000892686885 584622853 /nfs/dbraw/zinc/62/28/53/584622853.db2.gz FIBUGIRETOLFLK-BETUJISGSA-N 2 1 284.404 -0.232 20 0 CBADMP COCC[NH+](C)CCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000892686885 584622854 /nfs/dbraw/zinc/62/28/54/584622854.db2.gz FIBUGIRETOLFLK-BETUJISGSA-N 2 1 284.404 -0.232 20 0 CBADMP COCC[NH+](C)CCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000892686885 584622855 /nfs/dbraw/zinc/62/28/55/584622855.db2.gz FIBUGIRETOLFLK-BETUJISGSA-N 2 1 284.404 -0.232 20 0 CBADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)[C@H]1OC ZINC000893606689 584643294 /nfs/dbraw/zinc/64/32/94/584643294.db2.gz QLVZKHOJJZZIOS-LPWJVIDDSA-N 2 1 258.362 -0.165 20 0 CBADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)[C@H]1OC ZINC000893606689 584643295 /nfs/dbraw/zinc/64/32/95/584643295.db2.gz QLVZKHOJJZZIOS-LPWJVIDDSA-N 2 1 258.362 -0.165 20 0 CBADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000894726427 584663189 /nfs/dbraw/zinc/66/31/89/584663189.db2.gz UGFLOEQZYIJJNU-PHIMTYICSA-N 2 1 251.330 -0.467 20 0 CBADMP COC(=O)CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000895811417 584687270 /nfs/dbraw/zinc/68/72/70/584687270.db2.gz QWSMMXQPBQRZTP-FGWVZKOKSA-N 2 1 269.345 -0.510 20 0 CBADMP COC(=O)CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000895811417 584687271 /nfs/dbraw/zinc/68/72/71/584687271.db2.gz QWSMMXQPBQRZTP-FGWVZKOKSA-N 2 1 269.345 -0.510 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000896459318 584699528 /nfs/dbraw/zinc/69/95/28/584699528.db2.gz DYXVJVRLKJWKRY-GFCCVEGCSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896531569 584700951 /nfs/dbraw/zinc/70/09/51/584700951.db2.gz PSWNUTWWUHKTGA-WOPDTQHZSA-N 2 1 256.394 -0.313 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000897495193 584718177 /nfs/dbraw/zinc/71/81/77/584718177.db2.gz SMNDTNYIUGEBTO-TZMCWYRMSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H]1CCC[NH+]1CCNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000897495193 584718178 /nfs/dbraw/zinc/71/81/78/584718178.db2.gz SMNDTNYIUGEBTO-TZMCWYRMSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H]1CCC[NH+]1CCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000897495193 584718180 /nfs/dbraw/zinc/71/81/80/584718180.db2.gz SMNDTNYIUGEBTO-TZMCWYRMSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000897518211 584719742 /nfs/dbraw/zinc/71/97/42/584719742.db2.gz HPRUMKZCZZPZSU-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1CCC[NH+]1CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000897518211 584719743 /nfs/dbraw/zinc/71/97/43/584719743.db2.gz HPRUMKZCZZPZSU-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1CCC[NH+]1CCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000897518211 584719744 /nfs/dbraw/zinc/71/97/44/584719744.db2.gz HPRUMKZCZZPZSU-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000897716750 584723868 /nfs/dbraw/zinc/72/38/68/584723868.db2.gz KIUUEUMDDPDBAT-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000897716750 584723869 /nfs/dbraw/zinc/72/38/69/584723869.db2.gz KIUUEUMDDPDBAT-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000897716750 584723870 /nfs/dbraw/zinc/72/38/70/584723870.db2.gz KIUUEUMDDPDBAT-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000897716750 584723871 /nfs/dbraw/zinc/72/38/71/584723871.db2.gz KIUUEUMDDPDBAT-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000897716749 584723893 /nfs/dbraw/zinc/72/38/93/584723893.db2.gz KIUUEUMDDPDBAT-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000897716749 584723894 /nfs/dbraw/zinc/72/38/94/584723894.db2.gz KIUUEUMDDPDBAT-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000897716749 584723895 /nfs/dbraw/zinc/72/38/95/584723895.db2.gz KIUUEUMDDPDBAT-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000897716749 584723896 /nfs/dbraw/zinc/72/38/96/584723896.db2.gz KIUUEUMDDPDBAT-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CCO ZINC000899734298 584777231 /nfs/dbraw/zinc/77/72/31/584777231.db2.gz ZRLMIKKHUFWAOS-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCO ZINC000899734298 584777234 /nfs/dbraw/zinc/77/72/34/584777234.db2.gz ZRLMIKKHUFWAOS-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCO ZINC000899734298 584777235 /nfs/dbraw/zinc/77/72/35/584777235.db2.gz ZRLMIKKHUFWAOS-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+](CC(=O)NCC[N@@H+](C)CCO)[C@H]1CCSC1 ZINC000899736796 584777504 /nfs/dbraw/zinc/77/75/04/584777504.db2.gz VAZBUAFJYNKXDM-NSHDSACASA-N 2 1 275.418 -0.536 20 0 CBADMP C[NH+](CCO)CCNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000899736796 584777506 /nfs/dbraw/zinc/77/75/06/584777506.db2.gz VAZBUAFJYNKXDM-NSHDSACASA-N 2 1 275.418 -0.536 20 0 CBADMP C[NH+](CCO)CCNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000899736796 584777508 /nfs/dbraw/zinc/77/75/08/584777508.db2.gz VAZBUAFJYNKXDM-NSHDSACASA-N 2 1 275.418 -0.536 20 0 CBADMP C[C@H](C(=O)NCC[N@H+](C)CCO)[NH+]1CCSCC1 ZINC000899736488 584777686 /nfs/dbraw/zinc/77/76/86/584777686.db2.gz HAFGPBIUOUDMNG-LLVKDONJSA-N 2 1 275.418 -0.536 20 0 CBADMP C[C@H](C(=O)NCC[N@@H+](C)CCO)[NH+]1CCSCC1 ZINC000899736488 584777687 /nfs/dbraw/zinc/77/76/87/584777687.db2.gz HAFGPBIUOUDMNG-LLVKDONJSA-N 2 1 275.418 -0.536 20 0 CBADMP C[N@H+](CCO)CCNC(=O)CCCC[NH+]1CCOCC1 ZINC000899737413 584777878 /nfs/dbraw/zinc/77/78/78/584777878.db2.gz IWQSBQNZZVAMTR-UHFFFAOYSA-N 2 1 287.404 -0.471 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)CCCC[NH+]1CCOCC1 ZINC000899737413 584777880 /nfs/dbraw/zinc/77/78/80/584777880.db2.gz IWQSBQNZZVAMTR-UHFFFAOYSA-N 2 1 287.404 -0.471 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[N@H+](C)CCO)C2 ZINC000899738655 584778668 /nfs/dbraw/zinc/77/86/68/584778668.db2.gz KFVRYYZMZVAJCW-GFCCVEGCSA-N 2 1 280.372 -0.206 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[N@@H+](C)CCO)C2 ZINC000899738655 584778669 /nfs/dbraw/zinc/77/86/69/584778669.db2.gz KFVRYYZMZVAJCW-GFCCVEGCSA-N 2 1 280.372 -0.206 20 0 CBADMP CC[NH+](CC)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000899904872 584783575 /nfs/dbraw/zinc/78/35/75/584783575.db2.gz RASKTCPCDAWUTM-DGCLKSJQSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@@H+]1CCC[C@](O)(CC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000899921332 584785275 /nfs/dbraw/zinc/78/52/75/584785275.db2.gz UQDBLBASGBKQEQ-HNNXBMFYSA-N 2 1 299.415 -0.328 20 0 CBADMP C[N@H+]1CCC[C@](O)(CC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000899921332 584785276 /nfs/dbraw/zinc/78/52/76/584785276.db2.gz UQDBLBASGBKQEQ-HNNXBMFYSA-N 2 1 299.415 -0.328 20 0 CBADMP C[NH+](C)C(C)(C)CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000899963062 584787008 /nfs/dbraw/zinc/78/70/08/584787008.db2.gz BCBZWMFATIEYAB-GXFFZTMASA-N 2 1 257.378 -0.102 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCCC1 ZINC000900010762 584788826 /nfs/dbraw/zinc/78/88/26/584788826.db2.gz BWPAECDJTJACAR-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCCC1 ZINC000900010762 584788828 /nfs/dbraw/zinc/78/88/28/584788828.db2.gz BWPAECDJTJACAR-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000900280000 584798006 /nfs/dbraw/zinc/79/80/06/584798006.db2.gz ZPXYPSCFFUZLNY-DZGCQCFKSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000900280000 584798008 /nfs/dbraw/zinc/79/80/08/584798008.db2.gz ZPXYPSCFFUZLNY-DZGCQCFKSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)C1CC1 ZINC000900283470 584798198 /nfs/dbraw/zinc/79/81/98/584798198.db2.gz RXRWZGZRIPQUNY-OUCADQQQSA-N 2 1 269.389 -0.102 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000900441817 584804303 /nfs/dbraw/zinc/80/43/03/584804303.db2.gz ODFQNKFLNZIEOU-KYEXWDHISA-N 2 1 297.399 -0.579 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000900441817 584804305 /nfs/dbraw/zinc/80/43/05/584804305.db2.gz ODFQNKFLNZIEOU-KYEXWDHISA-N 2 1 297.399 -0.579 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000900441817 584804307 /nfs/dbraw/zinc/80/43/07/584804307.db2.gz ODFQNKFLNZIEOU-KYEXWDHISA-N 2 1 297.399 -0.579 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC1CC[NH+](C)CC1 ZINC000900486083 584807467 /nfs/dbraw/zinc/80/74/67/584807467.db2.gz WVIKYXRTYZVIDW-OCCSQVGLSA-N 2 1 269.389 -0.101 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900562445 584812239 /nfs/dbraw/zinc/81/22/39/584812239.db2.gz XORWQJZTALOFFT-TZMCWYRMSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900562442 584812279 /nfs/dbraw/zinc/81/22/79/584812279.db2.gz XORWQJZTALOFFT-GXTWGEPZSA-N 2 1 269.389 -0.004 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900622904 584816830 /nfs/dbraw/zinc/81/68/30/584816830.db2.gz HGMRWECDEKEZEB-SGMGOOAPSA-N 2 1 285.388 -0.722 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900622904 584816831 /nfs/dbraw/zinc/81/68/31/584816831.db2.gz HGMRWECDEKEZEB-SGMGOOAPSA-N 2 1 285.388 -0.722 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900622904 584816832 /nfs/dbraw/zinc/81/68/32/584816832.db2.gz HGMRWECDEKEZEB-SGMGOOAPSA-N 2 1 285.388 -0.722 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900622904 584816833 /nfs/dbraw/zinc/81/68/33/584816833.db2.gz HGMRWECDEKEZEB-SGMGOOAPSA-N 2 1 285.388 -0.722 20 0 CBADMP C[NH+](C)C1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900631625 584817797 /nfs/dbraw/zinc/81/77/97/584817797.db2.gz AXCUOVKUMAGYKR-TZMCWYRMSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900694389 584822370 /nfs/dbraw/zinc/82/23/70/584822370.db2.gz HVXOBQDBGSBOIX-NTZNESFSSA-N 2 1 257.378 -0.102 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900694385 584822456 /nfs/dbraw/zinc/82/24/56/584822456.db2.gz HVXOBQDBGSBOIX-MDZLAQPJSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000900698534 584822911 /nfs/dbraw/zinc/82/29/11/584822911.db2.gz HJTGFUOHKYGCBJ-WCQYABFASA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900698534 584822913 /nfs/dbraw/zinc/82/29/13/584822913.db2.gz HJTGFUOHKYGCBJ-WCQYABFASA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900698534 584822915 /nfs/dbraw/zinc/82/29/15/584822915.db2.gz HJTGFUOHKYGCBJ-WCQYABFASA-N 2 1 257.378 -0.102 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900926355 584833281 /nfs/dbraw/zinc/83/32/81/584833281.db2.gz GMLQOLDFPLLGFV-CYBMUJFWSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@H+](C)CCO1 ZINC000901139067 584851430 /nfs/dbraw/zinc/85/14/30/584851430.db2.gz QATGVRHUQLEBFL-NWDGAFQWSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@@H+](C)CCO1 ZINC000901139067 584851432 /nfs/dbraw/zinc/85/14/32/584851432.db2.gz QATGVRHUQLEBFL-NWDGAFQWSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[C@H](CO)[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000901145842 584852093 /nfs/dbraw/zinc/85/20/93/584852093.db2.gz DVOXSTFVQKBUFP-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000901327014 584860992 /nfs/dbraw/zinc/86/09/92/584860992.db2.gz JWIRVCTXMUTWKW-DGCLKSJQSA-N 2 1 257.378 -0.148 20 0 CBADMP C[NH+](C)CCOCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000901342092 584861870 /nfs/dbraw/zinc/86/18/70/584861870.db2.gz YURVPNLAIZTDFI-DGCLKSJQSA-N 2 1 273.377 -0.864 20 0 CBADMP CN1CCOC[C@@]1(CO)C[NH2+]C1CC[NH+](C)CC1 ZINC000903285817 584890143 /nfs/dbraw/zinc/89/01/43/584890143.db2.gz UOWDSEZBXIKOPL-ZDUSSCGKSA-N 2 1 257.378 -0.637 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000903453816 584890590 /nfs/dbraw/zinc/89/05/90/584890590.db2.gz MSZLUEVWXZJJNF-HZSPNIEDSA-N 3 1 252.406 -0.179 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000903453816 584890591 /nfs/dbraw/zinc/89/05/91/584890591.db2.gz MSZLUEVWXZJJNF-HZSPNIEDSA-N 2 1 252.406 -0.179 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903476295 584891080 /nfs/dbraw/zinc/89/10/80/584891080.db2.gz TZHSBRLZZOWEPS-ITGHMWBKSA-N 3 1 294.399 -0.291 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903476295 584891082 /nfs/dbraw/zinc/89/10/82/584891082.db2.gz TZHSBRLZZOWEPS-ITGHMWBKSA-N 3 1 294.399 -0.291 20 0 CBADMP [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 584891134 /nfs/dbraw/zinc/89/11/34/584891134.db2.gz CDKLOYAVKMCOEW-VJTDZRGJSA-N 3 1 294.399 -0.019 20 0 CBADMP CNC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903476096 584891159 /nfs/dbraw/zinc/89/11/59/584891159.db2.gz NLIAOTPNTNOHBN-GRYCIOLGSA-N 2 1 270.377 -0.256 20 0 CBADMP CNC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903476096 584891160 /nfs/dbraw/zinc/89/11/60/584891160.db2.gz NLIAOTPNTNOHBN-GRYCIOLGSA-N 2 1 270.377 -0.256 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC000903493146 584891833 /nfs/dbraw/zinc/89/18/33/584891833.db2.gz VMLAHSWWQUISKM-ZOWXZIJZSA-N 2 1 295.383 -0.179 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCC(=O)N(C)C)C2 ZINC000903493907 584891861 /nfs/dbraw/zinc/89/18/61/584891861.db2.gz ZXSRHZQOXQSOED-WDMOLILDSA-N 2 1 283.372 -0.323 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000903493876 584891913 /nfs/dbraw/zinc/89/19/13/584891913.db2.gz YVCZXTCCQRYLBL-GUTXKFCHSA-N 3 1 296.415 -0.896 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000903713616 584895425 /nfs/dbraw/zinc/89/54/25/584895425.db2.gz XQBZHSSLFPQYMJ-ZOBORPQBSA-N 2 1 297.399 -0.423 20 0 CBADMP C[N@@H+](CC(=O)NC1CC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717955 584895562 /nfs/dbraw/zinc/89/55/62/584895562.db2.gz GMJGAOXQZJYIEF-JSGCOSHPSA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@H+](CC(=O)NC1CC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717955 584895563 /nfs/dbraw/zinc/89/55/63/584895563.db2.gz GMJGAOXQZJYIEF-JSGCOSHPSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@](C[NH3+])([NH2+]CCN1CCCS1(=O)=O)C1CC1 ZINC000903718053 584895666 /nfs/dbraw/zinc/89/56/66/584895666.db2.gz YTSAPJQSKKKNMN-NSHDSACASA-N 2 1 261.391 -0.261 20 0 CBADMP COCCCNC(=O)C[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718130 584895701 /nfs/dbraw/zinc/89/57/01/584895701.db2.gz HFPQVJPQAYLVQC-HIFRSBDPSA-N 2 1 299.415 -0.161 20 0 CBADMP COCCCNC(=O)C[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718130 584895702 /nfs/dbraw/zinc/89/57/02/584895702.db2.gz HFPQVJPQAYLVQC-HIFRSBDPSA-N 2 1 299.415 -0.161 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722196 584895765 /nfs/dbraw/zinc/89/57/65/584895765.db2.gz IMHYYABVBOXKKQ-YPMHNXCESA-N 2 1 255.362 -0.177 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722196 584895766 /nfs/dbraw/zinc/89/57/66/584895766.db2.gz IMHYYABVBOXKKQ-YPMHNXCESA-N 2 1 255.362 -0.177 20 0 CBADMP O=C1NC[C@@H]2C[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCN12 ZINC000903735434 584896534 /nfs/dbraw/zinc/89/65/34/584896534.db2.gz ZXYPKKCLZUCLQB-YRGRVCCFSA-N 2 1 280.372 -0.536 20 0 CBADMP O=C1NC[C@@H]2C[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCN12 ZINC000903735434 584896535 /nfs/dbraw/zinc/89/65/35/584896535.db2.gz ZXYPKKCLZUCLQB-YRGRVCCFSA-N 2 1 280.372 -0.536 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903760881 584897859 /nfs/dbraw/zinc/89/78/59/584897859.db2.gz WMCSZUCQPXCFCT-LBPRGKRZSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903765479 584897962 /nfs/dbraw/zinc/89/79/62/584897962.db2.gz IFPDIXXKTQIPCX-KWCYVHTRSA-N 2 1 267.373 -0.048 20 0 CBADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC000903763222 584897987 /nfs/dbraw/zinc/89/79/87/584897987.db2.gz IROSCMZJPVFBLD-GHMZBOCLSA-N 2 1 261.391 -0.119 20 0 CBADMP NS(=O)(=O)C[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903788183 584899646 /nfs/dbraw/zinc/89/96/46/584899646.db2.gz DSRZAIKSGUIJPZ-RYUDHWBXSA-N 2 1 275.418 -0.014 20 0 CBADMP C[NH2+]CCN(C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000903812245 584900561 /nfs/dbraw/zinc/90/05/61/584900561.db2.gz NLWHORXPMFGTKM-BETUJISGSA-N 2 1 298.431 -0.006 20 0 CBADMP C[NH2+]CCN(C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)C(C)C ZINC000903812245 584900563 /nfs/dbraw/zinc/90/05/63/584900563.db2.gz NLWHORXPMFGTKM-BETUJISGSA-N 2 1 298.431 -0.006 20 0 CBADMP [NH3+]CCOCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817691 584900719 /nfs/dbraw/zinc/90/07/19/584900719.db2.gz DOLJFRFGJWINCM-UHFFFAOYSA-N 3 1 257.378 -0.194 20 0 CBADMP [NH3+]CCOCCN1CC[NH2+]CCC12CCOCC2 ZINC000903817691 584900721 /nfs/dbraw/zinc/90/07/21/584900721.db2.gz DOLJFRFGJWINCM-UHFFFAOYSA-N 2 1 257.378 -0.194 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1CS(N)(=O)=O ZINC000903825594 584900965 /nfs/dbraw/zinc/90/09/65/584900965.db2.gz AGTFBFRDCFMNJZ-WYUUTHIRSA-N 2 1 275.418 -0.030 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000903827217 584900981 /nfs/dbraw/zinc/90/09/81/584900981.db2.gz QRFKQRHQNGWJMH-DRZSPHRISA-N 2 1 255.362 -0.456 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H]1CS(N)(=O)=O ZINC000903825918 584901037 /nfs/dbraw/zinc/90/10/37/584901037.db2.gz FFDSURWULICRMC-MXWKQRLJSA-N 2 1 261.391 -0.548 20 0 CBADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1CS(N)(=O)=O ZINC000903827510 584901146 /nfs/dbraw/zinc/90/11/46/584901146.db2.gz UYMZIKGWMSMRLF-UTUOFQBUSA-N 2 1 275.418 -0.158 20 0 CBADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903830038 584901149 /nfs/dbraw/zinc/90/11/49/584901149.db2.gz RDQYKHPUWVYADG-RWMBFGLXSA-N 2 1 268.357 -0.003 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC000903829550 584901236 /nfs/dbraw/zinc/90/12/36/584901236.db2.gz HCIIIFCNUVCVQW-MDZLAQPJSA-N 2 1 265.361 -0.428 20 0 CBADMP OCC[C@@H]1COCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903829163 584901301 /nfs/dbraw/zinc/90/13/01/584901301.db2.gz AZZMZSVLSHPZCA-NEPJUHHUSA-N 2 1 256.346 -0.409 20 0 CBADMP OCC[C@@H]1COCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903829163 584901302 /nfs/dbraw/zinc/90/13/02/584901302.db2.gz AZZMZSVLSHPZCA-NEPJUHHUSA-N 2 1 256.346 -0.409 20 0 CBADMP C[C@@H]1CCOCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000903832438 584901417 /nfs/dbraw/zinc/90/14/17/584901417.db2.gz RRSNPBZTLWKCMD-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NC(=O)NC1CC1)C2 ZINC000903849326 584901901 /nfs/dbraw/zinc/90/19/01/584901901.db2.gz YKQIQEDGLFGEHV-NGZCFLSTSA-N 2 1 266.345 -0.214 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NC(=O)NC1CC1)C2 ZINC000903849326 584901903 /nfs/dbraw/zinc/90/19/03/584901903.db2.gz YKQIQEDGLFGEHV-NGZCFLSTSA-N 2 1 266.345 -0.214 20 0 CBADMP O=C1NC[C@@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC000903896873 584904181 /nfs/dbraw/zinc/90/41/81/584904181.db2.gz ALUODARZYMUFTE-PSEXLTFBSA-N 2 1 292.383 -0.840 20 0 CBADMP [NH3+][C@@H](CC(F)F)CN1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000903905488 584904351 /nfs/dbraw/zinc/90/43/51/584904351.db2.gz HIKMQHKDTZAEHQ-QWRGUYRKSA-N 2 1 290.358 -0.135 20 0 CBADMP C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903908121 584904380 /nfs/dbraw/zinc/90/43/80/584904380.db2.gz DBJNRLLOKLAYLX-MDZLAQPJSA-N 2 1 292.387 -0.183 20 0 CBADMP Cc1c(C[C@H](C[NH3+])C[NH2+]CC(=O)NCC2CC2)cnn1C ZINC000903926534 584904805 /nfs/dbraw/zinc/90/48/05/584904805.db2.gz LUHYMFLTQJIVHM-CYBMUJFWSA-N 2 1 293.415 -0.038 20 0 CBADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)CCOCC[NH3+])cnn1C ZINC000903933945 584904925 /nfs/dbraw/zinc/90/49/25/584904925.db2.gz BSECYLNPAVBYMA-CYBMUJFWSA-N 3 1 283.420 -0.247 20 0 CBADMP Cc1c(C[C@H](C[NH3+])CN(C)CCOCC[NH3+])cnn1C ZINC000903933945 584904926 /nfs/dbraw/zinc/90/49/26/584904926.db2.gz BSECYLNPAVBYMA-CYBMUJFWSA-N 2 1 283.420 -0.247 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@]13C[C@H]1C[NH2+]C3)C2 ZINC000903977092 584905544 /nfs/dbraw/zinc/90/55/44/584905544.db2.gz ISVFPVIEMPKMLS-OBORUHMCSA-N 3 1 279.384 -0.192 20 0 CBADMP CC(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000972265295 614189020 /nfs/dbraw/zinc/18/90/20/614189020.db2.gz MAAYIBFHNXQXOZ-DGCLKSJQSA-N 2 1 284.404 -0.409 20 0 CBADMP CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000972265295 614189022 /nfs/dbraw/zinc/18/90/22/614189022.db2.gz MAAYIBFHNXQXOZ-DGCLKSJQSA-N 2 1 284.404 -0.409 20 0 CBADMP CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[NH+]1CCCC1 ZINC000961468850 614304410 /nfs/dbraw/zinc/30/44/10/614304410.db2.gz YNUVAZKDYJBVIQ-ITGUQSILSA-N 2 1 281.400 -0.101 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000960185623 614665020 /nfs/dbraw/zinc/66/50/20/614665020.db2.gz RHHPFFIGYXPMFT-RQJABVFESA-N 2 1 281.400 -0.101 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000960185623 614665021 /nfs/dbraw/zinc/66/50/21/614665021.db2.gz RHHPFFIGYXPMFT-RQJABVFESA-N 2 1 281.400 -0.101 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000960185623 614665024 /nfs/dbraw/zinc/66/50/24/614665024.db2.gz RHHPFFIGYXPMFT-RQJABVFESA-N 2 1 281.400 -0.101 20 0 CBADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](C[C@@H](C)O)C1 ZINC000957385963 614676751 /nfs/dbraw/zinc/67/67/51/614676751.db2.gz RSCGPHAKTOLNNT-NEPJUHHUSA-N 2 1 269.389 -0.148 20 0 CBADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](C[C@@H](C)O)C1 ZINC000957385963 614676754 /nfs/dbraw/zinc/67/67/54/614676754.db2.gz RSCGPHAKTOLNNT-NEPJUHHUSA-N 2 1 269.389 -0.148 20 0 CBADMP CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958593877 614813274 /nfs/dbraw/zinc/81/32/74/614813274.db2.gz CGESKZWMTZWKPY-OLZOCXBDSA-N 2 1 281.400 -0.099 20 0 CBADMP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958473446 614830571 /nfs/dbraw/zinc/83/05/71/614830571.db2.gz AFWUGONMYYOWIZ-QNWHQSFQSA-N 2 1 267.373 -0.227 20 0 CBADMP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958473446 614830573 /nfs/dbraw/zinc/83/05/73/614830573.db2.gz AFWUGONMYYOWIZ-QNWHQSFQSA-N 2 1 267.373 -0.227 20 0 CBADMP CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000958473446 614830575 /nfs/dbraw/zinc/83/05/75/614830575.db2.gz AFWUGONMYYOWIZ-QNWHQSFQSA-N 2 1 267.373 -0.227 20 0 CBADMP CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000958473446 614830576 /nfs/dbraw/zinc/83/05/76/614830576.db2.gz AFWUGONMYYOWIZ-QNWHQSFQSA-N 2 1 267.373 -0.227 20 0 CBADMP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000983398037 615093961 /nfs/dbraw/zinc/09/39/61/615093961.db2.gz PLRUIPFDBAGXFN-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000983398037 615093963 /nfs/dbraw/zinc/09/39/63/615093963.db2.gz PLRUIPFDBAGXFN-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969441291 615094525 /nfs/dbraw/zinc/09/45/25/615094525.db2.gz JMWLKEPTHGDIJI-JQWIXIFHSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969441291 615094527 /nfs/dbraw/zinc/09/45/27/615094527.db2.gz JMWLKEPTHGDIJI-JQWIXIFHSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCO)C1)[NH+](C)C ZINC000972355796 615376391 /nfs/dbraw/zinc/37/63/91/615376391.db2.gz ZTVNOVHTVAJSBS-RYUDHWBXSA-N 2 1 257.378 -0.148 20 0 CBADMP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958474311 615439035 /nfs/dbraw/zinc/43/90/35/615439035.db2.gz JIXDPDMLUCQYIG-WHOHXGKFSA-N 2 1 253.346 -0.617 20 0 CBADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958474311 615439038 /nfs/dbraw/zinc/43/90/38/615439038.db2.gz JIXDPDMLUCQYIG-WHOHXGKFSA-N 2 1 253.346 -0.617 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000958474311 615439039 /nfs/dbraw/zinc/43/90/39/615439039.db2.gz JIXDPDMLUCQYIG-WHOHXGKFSA-N 2 1 253.346 -0.617 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000958474311 615439040 /nfs/dbraw/zinc/43/90/40/615439040.db2.gz JIXDPDMLUCQYIG-WHOHXGKFSA-N 2 1 253.346 -0.617 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CC(N)=O)C2)CC[N@H+]1C ZINC000971566831 615584595 /nfs/dbraw/zinc/58/45/95/615584595.db2.gz KAEYTJNNMLSHQG-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(N)=O)C2)CC[N@@H+]1C ZINC000971566831 615584596 /nfs/dbraw/zinc/58/45/96/615584596.db2.gz KAEYTJNNMLSHQG-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(N)=O)C2)CC[N@H+]1C ZINC000971566831 615584597 /nfs/dbraw/zinc/58/45/97/615584597.db2.gz KAEYTJNNMLSHQG-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000971566831 615584598 /nfs/dbraw/zinc/58/45/98/615584598.db2.gz KAEYTJNNMLSHQG-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000971566831 615584599 /nfs/dbraw/zinc/58/45/99/615584599.db2.gz KAEYTJNNMLSHQG-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1)[NH+](C)C ZINC000969074483 615602698 /nfs/dbraw/zinc/60/26/98/615602698.db2.gz GCMOXRLAIPYQIA-VXGBXAGGSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1)[NH+](C)C ZINC000969074647 615602708 /nfs/dbraw/zinc/60/27/08/615602708.db2.gz MRJKCIBRXXXZSF-GHMZBOCLSA-N 2 1 295.391 -0.759 20 0 CBADMP CC[C@H](C(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2)[NH+](C)C ZINC000972430485 615604017 /nfs/dbraw/zinc/60/40/17/615604017.db2.gz GMMCXGWGPCCYQZ-HIFRSBDPSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[C@H](C(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2)[NH+](C)C ZINC000972430485 615604018 /nfs/dbraw/zinc/60/40/18/615604018.db2.gz GMMCXGWGPCCYQZ-HIFRSBDPSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC000968921738 615822002 /nfs/dbraw/zinc/82/20/02/615822002.db2.gz HTRBUNFFBFXGMD-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1CCC[N@@H+](CCO)CC1)C1CC1 ZINC000981333968 615987996 /nfs/dbraw/zinc/98/79/96/615987996.db2.gz WKCOGMTUCQEQGC-ZDUSSCGKSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971689207 616045274 /nfs/dbraw/zinc/04/52/74/616045274.db2.gz GBIORISIEMHSIQ-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CC(=O)N1CC[C@H]([N@H+](C)CCO)C1)C1CCC1 ZINC000971689207 616045275 /nfs/dbraw/zinc/04/52/75/616045275.db2.gz GBIORISIEMHSIQ-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1)C1CCC1 ZINC000971689207 616045276 /nfs/dbraw/zinc/04/52/76/616045276.db2.gz GBIORISIEMHSIQ-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980406596 616116617 /nfs/dbraw/zinc/11/66/17/616116617.db2.gz QSYJELHBEACQHG-QWHCGFSZSA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC000958373477 616167224 /nfs/dbraw/zinc/16/72/24/616167224.db2.gz FVRRIWAIORPRAT-KGLIPLIRSA-N 2 1 299.415 -0.881 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[NH+](CCO)CC1 ZINC000948858377 616195203 /nfs/dbraw/zinc/19/52/03/616195203.db2.gz CMZNFLNORWBLHM-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[NH+](CCO)CC1 ZINC000948858377 616195204 /nfs/dbraw/zinc/19/52/04/616195204.db2.gz CMZNFLNORWBLHM-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCO)CC1(C)C ZINC000972860823 616212801 /nfs/dbraw/zinc/21/28/01/616212801.db2.gz USVSJWKMVLAMDD-RYUDHWBXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCO)CC1(C)C ZINC000972860823 616212802 /nfs/dbraw/zinc/21/28/02/616212802.db2.gz USVSJWKMVLAMDD-RYUDHWBXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCO)CC1(C)C ZINC000972860823 616212803 /nfs/dbraw/zinc/21/28/03/616212803.db2.gz USVSJWKMVLAMDD-RYUDHWBXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C ZINC000972860823 616212804 /nfs/dbraw/zinc/21/28/04/616212804.db2.gz USVSJWKMVLAMDD-RYUDHWBXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC000958414833 616212975 /nfs/dbraw/zinc/21/29/75/616212975.db2.gz LHNZHDWSNHLOLZ-QNWHQSFQSA-N 2 1 267.373 -0.491 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000958414833 616212976 /nfs/dbraw/zinc/21/29/76/616212976.db2.gz LHNZHDWSNHLOLZ-QNWHQSFQSA-N 2 1 267.373 -0.491 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000958414833 616212977 /nfs/dbraw/zinc/21/29/77/616212977.db2.gz LHNZHDWSNHLOLZ-QNWHQSFQSA-N 2 1 267.373 -0.491 20 0 CBADMP CN(CC(N)=O)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000971715011 616213345 /nfs/dbraw/zinc/21/33/45/616213345.db2.gz CILPBKFVCWPDKD-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC000971715011 616213346 /nfs/dbraw/zinc/21/33/46/616213346.db2.gz CILPBKFVCWPDKD-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC000971715011 616213347 /nfs/dbraw/zinc/21/33/47/616213347.db2.gz CILPBKFVCWPDKD-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000971715011 616213348 /nfs/dbraw/zinc/21/33/48/616213348.db2.gz CILPBKFVCWPDKD-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000971715011 616213349 /nfs/dbraw/zinc/21/33/49/616213349.db2.gz CILPBKFVCWPDKD-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000979086371 616266589 /nfs/dbraw/zinc/26/65/89/616266589.db2.gz OKLYZMOVWLSKKY-SYQHCUMBSA-N 2 1 281.400 -0.386 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC000979086371 616266590 /nfs/dbraw/zinc/26/65/90/616266590.db2.gz OKLYZMOVWLSKKY-SYQHCUMBSA-N 2 1 281.400 -0.386 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC000979086371 616266591 /nfs/dbraw/zinc/26/65/91/616266591.db2.gz OKLYZMOVWLSKKY-SYQHCUMBSA-N 2 1 281.400 -0.386 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000979078209 616266709 /nfs/dbraw/zinc/26/67/09/616266709.db2.gz DHOURQRCNYOCCJ-LPWJVIDDSA-N 2 1 267.373 -0.776 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000979078209 616266710 /nfs/dbraw/zinc/26/67/10/616266710.db2.gz DHOURQRCNYOCCJ-LPWJVIDDSA-N 2 1 267.373 -0.776 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000979078209 616266711 /nfs/dbraw/zinc/26/67/11/616266711.db2.gz DHOURQRCNYOCCJ-LPWJVIDDSA-N 2 1 267.373 -0.776 20 0 CBADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000962558170 616267789 /nfs/dbraw/zinc/26/77/89/616267789.db2.gz UJKYHWMDVCIDDM-NMKXLXIOSA-N 2 1 294.399 -0.927 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000977452047 616269435 /nfs/dbraw/zinc/26/94/35/616269435.db2.gz KGPKTIRAAINPIR-NWDGAFQWSA-N 2 1 296.415 -0.360 20 0 CBADMP COCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969951229 616321824 /nfs/dbraw/zinc/32/18/24/616321824.db2.gz ZBZLYTOCKVMLSR-MBNYWOFBSA-N 2 1 299.415 -0.212 20 0 CBADMP COCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969951229 616321827 /nfs/dbraw/zinc/32/18/27/616321827.db2.gz ZBZLYTOCKVMLSR-MBNYWOFBSA-N 2 1 299.415 -0.212 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cnon4)C[C@H]32)C1 ZINC000962582886 616380988 /nfs/dbraw/zinc/38/09/88/616380988.db2.gz BPXOKGRINHQHMF-FTYKPCCVSA-N 2 1 291.355 -0.432 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000977452045 616393514 /nfs/dbraw/zinc/39/35/14/616393514.db2.gz KGPKTIRAAINPIR-NEPJUHHUSA-N 2 1 296.415 -0.360 20 0 CBADMP COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590957 616450719 /nfs/dbraw/zinc/45/07/19/616450719.db2.gz DCXVTVAKLHQFGL-STQMWFEESA-N 2 1 297.399 -0.863 20 0 CBADMP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)CCOCCO ZINC000922118434 658001128 /nfs/dbraw/zinc/00/11/28/658001128.db2.gz YTNZJZYSVHVLHA-UHFFFAOYSA-N 2 1 273.377 -0.861 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NCCOCC[NH+](C)C)CC[N@H+]1C ZINC000922145261 658009756 /nfs/dbraw/zinc/00/97/56/658009756.db2.gz SFSKYMPLVUNHMS-NEPJUHHUSA-N 2 1 272.393 -0.044 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH2+]C[C@@H]1C(F)F ZINC000923352619 658226012 /nfs/dbraw/zinc/22/60/12/658226012.db2.gz PFNJTEANGKFHQI-WDEREUQCSA-N 2 1 281.347 -0.536 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000923380679 658244473 /nfs/dbraw/zinc/24/44/73/658244473.db2.gz BJGSZQHXUPEFDV-YNEHKIRRSA-N 2 1 259.394 -0.215 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC2(CC[NH2+]2)CC1 ZINC000923379863 658245150 /nfs/dbraw/zinc/24/51/50/658245150.db2.gz ANRRCAMHSLVXSC-ZDUSSCGKSA-N 2 1 271.405 -0.247 20 0 CBADMP CN1C[C@@H]2[C@@H](CCC[N@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)C1=O ZINC000923375582 658247604 /nfs/dbraw/zinc/24/76/04/658247604.db2.gz BFJGGSCZZXKXSA-YNEHKIRRSA-N 2 1 279.384 -0.083 20 0 CBADMP [NH3+]CC[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000923482300 658305060 /nfs/dbraw/zinc/30/50/60/658305060.db2.gz DDMBAVNQRIYBQX-LBPRGKRZSA-N 3 1 254.378 -0.521 20 0 CBADMP [NH3+]CC[C@H]1CC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000923482300 658305072 /nfs/dbraw/zinc/30/50/72/658305072.db2.gz DDMBAVNQRIYBQX-LBPRGKRZSA-N 2 1 254.378 -0.521 20 0 CBADMP [NH3+]CC[C@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000923482300 658305088 /nfs/dbraw/zinc/30/50/88/658305088.db2.gz DDMBAVNQRIYBQX-LBPRGKRZSA-N 2 1 254.378 -0.521 20 0 CBADMP O=S(=O)(N1CC[NH2+]CC1)N1CC[NH2+]Cc2ccccc21 ZINC000923572151 658334065 /nfs/dbraw/zinc/33/40/65/658334065.db2.gz WMPJOYULCHQXOO-UHFFFAOYSA-N 2 1 296.396 -0.254 20 0 CBADMP C[C@@H]1C[C@@H](N(C)S(=O)(=O)C2C[NH2+]C2)CC[N@H+]1C ZINC000923617498 658356359 /nfs/dbraw/zinc/35/63/59/658356359.db2.gz DHONMGXSXGYISA-ZJUUUORDSA-N 2 1 261.391 -0.298 20 0 CBADMP CC[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000923622423 658359454 /nfs/dbraw/zinc/35/94/54/658359454.db2.gz YJVZCAYDRUSZNV-GHMZBOCLSA-N 2 1 291.417 -0.935 20 0 CBADMP CC[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000923622423 658359461 /nfs/dbraw/zinc/35/94/61/658359461.db2.gz YJVZCAYDRUSZNV-GHMZBOCLSA-N 2 1 291.417 -0.935 20 0 CBADMP COC(=O)c1cn(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)nn1 ZINC000925665977 658865004 /nfs/dbraw/zinc/86/50/04/658865004.db2.gz JEJFZNQZVYVXRU-CXWACVEQSA-N 2 1 291.355 -0.349 20 0 CBADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925788029 658871857 /nfs/dbraw/zinc/87/18/57/658871857.db2.gz XNIBFJNWHHNCOL-WRWGMCAJSA-N 2 1 255.362 -0.275 20 0 CBADMP O=S1(=O)CCNC[C@@H]1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925790091 658872096 /nfs/dbraw/zinc/87/20/96/658872096.db2.gz FYRZFSVSHYTRKM-XNBXPENISA-N 2 1 299.440 -0.651 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000928551127 659034546 /nfs/dbraw/zinc/03/45/46/659034546.db2.gz LDUIUUSRLUSBKY-NWDGAFQWSA-N 2 1 253.346 -0.473 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437947 659460527 /nfs/dbraw/zinc/46/05/27/659460527.db2.gz CUICIBQPKMTZGE-SDDRHHMPSA-N 2 1 283.372 -0.452 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437947 659460534 /nfs/dbraw/zinc/46/05/34/659460534.db2.gz CUICIBQPKMTZGE-SDDRHHMPSA-N 2 1 283.372 -0.452 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437947 659460544 /nfs/dbraw/zinc/46/05/44/659460544.db2.gz CUICIBQPKMTZGE-SDDRHHMPSA-N 2 1 283.372 -0.452 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437947 659460551 /nfs/dbraw/zinc/46/05/51/659460551.db2.gz CUICIBQPKMTZGE-SDDRHHMPSA-N 2 1 283.372 -0.452 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC000931433670 659463303 /nfs/dbraw/zinc/46/33/03/659463303.db2.gz HQWSCJIJFAEOPR-MNOVXSKESA-N 2 1 266.345 -0.578 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC000931433670 659463339 /nfs/dbraw/zinc/46/33/39/659463339.db2.gz HQWSCJIJFAEOPR-MNOVXSKESA-N 2 1 266.345 -0.578 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC000931433670 659463354 /nfs/dbraw/zinc/46/33/54/659463354.db2.gz HQWSCJIJFAEOPR-MNOVXSKESA-N 2 1 266.345 -0.578 20 0 CBADMP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000050247725 656020535 /nfs/dbraw/zinc/02/05/35/656020535.db2.gz VZQFUEXPKUQTCP-SECBINFHSA-N 2 1 254.334 -0.403 20 0 CBADMP CC1(C)NC(=O)N(CC[N@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000050247725 656020542 /nfs/dbraw/zinc/02/05/42/656020542.db2.gz VZQFUEXPKUQTCP-SECBINFHSA-N 2 1 254.334 -0.403 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000052808285 656025152 /nfs/dbraw/zinc/02/51/52/656025152.db2.gz MWEAJUBPRMPASZ-CHWSQXEVSA-N 2 1 285.388 -0.327 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000052808282 656025197 /nfs/dbraw/zinc/02/51/97/656025197.db2.gz MWEAJUBPRMPASZ-STQMWFEESA-N 2 1 285.388 -0.327 20 0 CBADMP C[N@@H+](CCNS(=O)(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000062010816 656032725 /nfs/dbraw/zinc/03/27/25/656032725.db2.gz NESALIJVHOVBAL-LLVKDONJSA-N 2 1 261.391 -0.248 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)C[C@H](O)C(F)(F)F ZINC000068890088 656038174 /nfs/dbraw/zinc/03/81/74/656038174.db2.gz ADMCRDAURWEBMQ-VIFPVBQESA-N 2 1 255.284 -0.253 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H](O)C(F)(F)F ZINC000068890088 656038175 /nfs/dbraw/zinc/03/81/75/656038175.db2.gz ADMCRDAURWEBMQ-VIFPVBQESA-N 2 1 255.284 -0.253 20 0 CBADMP O=C(COC1CC[NH2+]CC1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000091667899 656058845 /nfs/dbraw/zinc/05/88/45/656058845.db2.gz OJVFDJVHCRVYOU-GXTWGEPZSA-N 2 1 297.399 -0.266 20 0 CBADMP C[N@@H+](CCN1C(=O)CNC1=O)C1CCC([NH3+])CC1 ZINC000091846952 656058852 /nfs/dbraw/zinc/05/88/52/656058852.db2.gz VJQUAYWBUJGIHV-UHFFFAOYSA-N 2 1 254.334 -0.260 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000121003559 656066455 /nfs/dbraw/zinc/06/64/55/656066455.db2.gz JUMZTLHQIGKSPD-LLVKDONJSA-N 2 1 268.361 -0.854 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000121003559 656066456 /nfs/dbraw/zinc/06/64/56/656066456.db2.gz JUMZTLHQIGKSPD-LLVKDONJSA-N 2 1 268.361 -0.854 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125532916 656067372 /nfs/dbraw/zinc/06/73/72/656067372.db2.gz QWCGAEVYDLILAN-UWVGGRQHSA-N 2 1 256.350 -0.109 20 0 CBADMP COCC[C@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000230936968 656112308 /nfs/dbraw/zinc/11/23/08/656112308.db2.gz JLUVQBOMFKTPOM-JTQLQIEISA-N 2 1 261.391 -0.485 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC3(CC2)OCCO3)CC1 ZINC000240741030 656117578 /nfs/dbraw/zinc/11/75/78/656117578.db2.gz AQAAFILCPIDJAD-UHFFFAOYSA-N 2 1 297.399 -0.011 20 0 CBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261557953 656124753 /nfs/dbraw/zinc/12/47/53/656124753.db2.gz CXJBDBXQQGKYEB-VIFPVBQESA-N 2 1 254.334 -0.355 20 0 CBADMP O[C@@H](C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)C(F)(F)F ZINC000310750219 656144067 /nfs/dbraw/zinc/14/40/67/656144067.db2.gz KSLVKRJXAXNPIT-ZJUUUORDSA-N 2 1 267.295 -0.111 20 0 CBADMP NC(=O)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000310975305 656144934 /nfs/dbraw/zinc/14/49/34/656144934.db2.gz SCLMDYLHRNYTQQ-LBPRGKRZSA-N 2 1 255.362 -0.360 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCCC[C@@H]1C[NH3+] ZINC000311183500 656145773 /nfs/dbraw/zinc/14/57/73/656145773.db2.gz ZYXDVRMQXZWBAB-OLZOCXBDSA-N 2 1 259.394 -0.261 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000312080210 656147043 /nfs/dbraw/zinc/14/70/43/656147043.db2.gz SQQJUDBTHJLNBU-GARJFASQSA-N 2 1 268.361 -0.238 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000312080210 656147046 /nfs/dbraw/zinc/14/70/46/656147046.db2.gz SQQJUDBTHJLNBU-GARJFASQSA-N 2 1 268.361 -0.238 20 0 CBADMP COCCOCCOCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313356823 656147418 /nfs/dbraw/zinc/14/74/18/656147418.db2.gz SDERGNNDZFRSPL-ZDUSSCGKSA-N 2 1 276.377 -0.284 20 0 CBADMP COCCOCCOCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313356823 656147422 /nfs/dbraw/zinc/14/74/22/656147422.db2.gz SDERGNNDZFRSPL-ZDUSSCGKSA-N 2 1 276.377 -0.284 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000312956863 656147477 /nfs/dbraw/zinc/14/74/77/656147477.db2.gz IUEYMKMPRLMNSW-ZNMIVQPWSA-N 3 1 285.432 -0.191 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000312956863 656147479 /nfs/dbraw/zinc/14/74/79/656147479.db2.gz IUEYMKMPRLMNSW-ZNMIVQPWSA-N 3 1 285.432 -0.191 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000312956863 656147482 /nfs/dbraw/zinc/14/74/82/656147482.db2.gz IUEYMKMPRLMNSW-ZNMIVQPWSA-N 3 1 285.432 -0.191 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000312956863 656147484 /nfs/dbraw/zinc/14/74/84/656147484.db2.gz IUEYMKMPRLMNSW-ZNMIVQPWSA-N 2 1 285.432 -0.191 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000312956863 656147488 /nfs/dbraw/zinc/14/74/88/656147488.db2.gz IUEYMKMPRLMNSW-ZNMIVQPWSA-N 2 1 285.432 -0.191 20 0 CBADMP COCCN(C)C[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000312956863 656147489 /nfs/dbraw/zinc/14/74/89/656147489.db2.gz IUEYMKMPRLMNSW-ZNMIVQPWSA-N 2 1 285.432 -0.191 20 0 CBADMP COCCN(C)C[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000312956863 656147493 /nfs/dbraw/zinc/14/74/93/656147493.db2.gz IUEYMKMPRLMNSW-ZNMIVQPWSA-N 2 1 285.432 -0.191 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000420395008 656167313 /nfs/dbraw/zinc/16/73/13/656167313.db2.gz BIXXBYXQAWIRPS-HNNXBMFYSA-N 2 1 280.416 -0.022 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702422112 656180987 /nfs/dbraw/zinc/18/09/87/656180987.db2.gz RGAOMHFYXXRHKQ-RYUDHWBXSA-N 2 1 256.394 -0.278 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000702430650 656181345 /nfs/dbraw/zinc/18/13/45/656181345.db2.gz OFHQJPLQCLSNSN-LBPRGKRZSA-N 2 1 256.394 -0.134 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000702970913 656182540 /nfs/dbraw/zinc/18/25/40/656182540.db2.gz DTSGHWRFHYYVDI-OUAUKWLOSA-N 2 1 261.391 -0.535 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000702970913 656182541 /nfs/dbraw/zinc/18/25/41/656182541.db2.gz DTSGHWRFHYYVDI-OUAUKWLOSA-N 2 1 261.391 -0.535 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)C2CC([NH3+])C2)CC1 ZINC000703439839 656183652 /nfs/dbraw/zinc/18/36/52/656183652.db2.gz UFVMIKUAAAXPBC-UHFFFAOYSA-N 2 1 255.362 -0.096 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000704744456 656185537 /nfs/dbraw/zinc/18/55/37/656185537.db2.gz PGOREWJCDIBPPM-ZIAGYGMSSA-N 2 1 273.421 -0.145 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC000708547799 656193430 /nfs/dbraw/zinc/19/34/30/656193430.db2.gz MQELZUIKQUYVHI-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP COC[C@@]1(C(=O)N2CCC[N@@H+](C)CC2)C[NH2+]CCO1 ZINC000710756612 656200316 /nfs/dbraw/zinc/20/03/16/656200316.db2.gz YVRBVXYODVHDNZ-CYBMUJFWSA-N 2 1 271.361 -0.845 20 0 CBADMP COC[C@@]1(C(=O)NCC[N@@H+](C)C2CC2)C[NH2+]CCO1 ZINC000710755339 656201097 /nfs/dbraw/zinc/20/10/97/656201097.db2.gz NPDAMIWYTBTGAM-CYBMUJFWSA-N 2 1 271.361 -0.798 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000710824765 656203253 /nfs/dbraw/zinc/20/32/53/656203253.db2.gz HSRPRMULLNAUIG-TZMCWYRMSA-N 2 1 285.388 -0.408 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000710824763 656203679 /nfs/dbraw/zinc/20/36/79/656203679.db2.gz HSRPRMULLNAUIG-OCCSQVGLSA-N 2 1 285.388 -0.408 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCOC2CC2)C1 ZINC000711766993 656209953 /nfs/dbraw/zinc/20/99/53/656209953.db2.gz YJYZDLSASSLRDE-LLVKDONJSA-N 2 1 255.362 -0.048 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CC2(CO1)CCOCC2 ZINC000712698595 656211179 /nfs/dbraw/zinc/21/11/79/656211179.db2.gz RMLVZHFRXKCSIU-RYUDHWBXSA-N 2 1 258.362 -0.177 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CC2(CO1)CCOCC2 ZINC000712698595 656211180 /nfs/dbraw/zinc/21/11/80/656211180.db2.gz RMLVZHFRXKCSIU-RYUDHWBXSA-N 2 1 258.362 -0.177 20 0 CBADMP NC(=O)NC(=O)CC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713217995 656211988 /nfs/dbraw/zinc/21/19/88/656211988.db2.gz UGIJWTJYJDMXKT-UHFFFAOYSA-N 2 1 254.334 -0.211 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713217995 656211992 /nfs/dbraw/zinc/21/19/92/656211992.db2.gz UGIJWTJYJDMXKT-UHFFFAOYSA-N 2 1 254.334 -0.211 20 0 CBADMP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1(F)F ZINC000715165788 656219218 /nfs/dbraw/zinc/21/92/18/656219218.db2.gz OBKWICUZRBWKKA-HBNTYKKESA-N 2 1 288.342 -0.668 20 0 CBADMP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1(F)F ZINC000715165783 656219323 /nfs/dbraw/zinc/21/93/23/656219323.db2.gz OBKWICUZRBWKKA-GMTAPVOTSA-N 2 1 288.342 -0.668 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000715874779 656220984 /nfs/dbraw/zinc/22/09/84/656220984.db2.gz MARFAWBQQRXEKM-ZDUSSCGKSA-N 2 1 253.346 -0.735 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCn1cnnn1 ZINC000878315084 656250001 /nfs/dbraw/zinc/25/00/01/656250001.db2.gz FSHHRZJDLDUCCE-UHFFFAOYSA-N 2 1 267.381 -0.758 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1(C)C ZINC000884752485 656254837 /nfs/dbraw/zinc/25/48/37/656254837.db2.gz WFUOHHUTQKMLNR-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1(C)C ZINC000884752485 656254840 /nfs/dbraw/zinc/25/48/40/656254840.db2.gz WFUOHHUTQKMLNR-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)C1 ZINC000884787518 656255315 /nfs/dbraw/zinc/25/53/15/656255315.db2.gz UWNSOVKUIHZVLR-UTUOFQBUSA-N 2 1 282.388 -0.465 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884811405 656256218 /nfs/dbraw/zinc/25/62/18/656256218.db2.gz TZDCRUUVJGYPKX-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884811405 656256224 /nfs/dbraw/zinc/25/62/24/656256224.db2.gz TZDCRUUVJGYPKX-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C[NH2+]1 ZINC000884817122 656256682 /nfs/dbraw/zinc/25/66/82/656256682.db2.gz JSJNBYNNFSPWFL-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C[NH2+]1 ZINC000884817122 656256686 /nfs/dbraw/zinc/25/66/86/656256686.db2.gz JSJNBYNNFSPWFL-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1CC[NH+]1CC ZINC000890065969 656269751 /nfs/dbraw/zinc/26/97/51/656269751.db2.gz OJMNRVHDDKNDQY-LBPRGKRZSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[NH+](CCO)CCNC(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000890065969 656269758 /nfs/dbraw/zinc/26/97/58/656269758.db2.gz OJMNRVHDDKNDQY-LBPRGKRZSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[NH+](CCO)CCNC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000890065969 656269761 /nfs/dbraw/zinc/26/97/61/656269761.db2.gz OJMNRVHDDKNDQY-LBPRGKRZSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000890066653 656269797 /nfs/dbraw/zinc/26/97/97/656269797.db2.gz XDAGCVLMTMDWQK-AAEUAGOBSA-N 2 1 270.377 -0.554 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000890066653 656269802 /nfs/dbraw/zinc/26/98/02/656269802.db2.gz XDAGCVLMTMDWQK-AAEUAGOBSA-N 2 1 270.377 -0.554 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000890066653 656269806 /nfs/dbraw/zinc/26/98/06/656269806.db2.gz XDAGCVLMTMDWQK-AAEUAGOBSA-N 2 1 270.377 -0.554 20 0 CBADMP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC([NH+]2CCCC2)C1 ZINC000898608254 656300420 /nfs/dbraw/zinc/30/04/20/656300420.db2.gz MXMYJYGNYRNTGD-AWEZNQCLSA-N 2 1 278.400 -0.317 20 0 CBADMP c1nnnn1CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506002 656321980 /nfs/dbraw/zinc/32/19/80/656321980.db2.gz LOMKRGYQOVVUDB-OKILXGFUSA-N 2 1 291.403 -0.426 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752417 656322015 /nfs/dbraw/zinc/32/20/15/656322015.db2.gz SHHDCZYUZBATCW-RYUDHWBXSA-N 3 1 257.378 -0.604 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752417 656322020 /nfs/dbraw/zinc/32/20/20/656322020.db2.gz SHHDCZYUZBATCW-RYUDHWBXSA-N 3 1 257.378 -0.604 20 0 CBADMP CNC(=O)[C@@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903755244 656322676 /nfs/dbraw/zinc/32/26/76/656322676.db2.gz DEASRNISLMJFIX-OLZOCXBDSA-N 2 1 297.399 -0.408 20 0 CBADMP CNC(=O)[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903755244 656322680 /nfs/dbraw/zinc/32/26/80/656322680.db2.gz DEASRNISLMJFIX-OLZOCXBDSA-N 2 1 297.399 -0.408 20 0 CBADMP CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904320743 656324487 /nfs/dbraw/zinc/32/44/87/656324487.db2.gz NVSRKNKMPVXLBY-AXFHLTTASA-N 2 1 261.391 -0.263 20 0 CBADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000904299537 656324511 /nfs/dbraw/zinc/32/45/11/656324511.db2.gz HDNLWHNIIOXQDA-MCIONIFRSA-N 3 1 280.416 -0.133 20 0 CBADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)C1 ZINC000904299537 656324514 /nfs/dbraw/zinc/32/45/14/656324514.db2.gz HDNLWHNIIOXQDA-MCIONIFRSA-N 2 1 280.416 -0.133 20 0 CBADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)C1 ZINC000904299537 656324517 /nfs/dbraw/zinc/32/45/17/656324517.db2.gz HDNLWHNIIOXQDA-MCIONIFRSA-N 2 1 280.416 -0.133 20 0 CBADMP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000904335957 656325152 /nfs/dbraw/zinc/32/51/52/656325152.db2.gz KOLDTGUPJVGSNJ-BETUJISGSA-N 2 1 294.399 -0.510 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904389053 656325652 /nfs/dbraw/zinc/32/56/52/656325652.db2.gz RSASKDDZAGBKEO-ROEYZRMQSA-N 3 1 267.373 -0.064 20 0 CBADMP C[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C[NH3+] ZINC000904410961 656326843 /nfs/dbraw/zinc/32/68/43/656326843.db2.gz ICHZMQGPEFZYDV-GHMZBOCLSA-N 2 1 280.372 -0.499 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[NH2+]CC3)C[C@]2(C)C1 ZINC000904957995 656330601 /nfs/dbraw/zinc/33/06/01/656330601.db2.gz CKCGKOHYLHQTPJ-DOMZBBRYSA-N 2 1 294.399 -0.782 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000904961229 656330668 /nfs/dbraw/zinc/33/06/68/656330668.db2.gz NTYRMEIQZFXVIF-SMDDNHRTSA-N 2 1 282.388 -0.926 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000904962278 656331288 /nfs/dbraw/zinc/33/12/88/656331288.db2.gz ACXGJEKGVPCQRQ-COPLHBTASA-N 2 1 282.388 -0.798 20 0 CBADMP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1(O)CCOCC1 ZINC000905060960 656336486 /nfs/dbraw/zinc/33/64/86/656336486.db2.gz ZMVJSXYIAMQCIF-OCCSQVGLSA-N 2 1 284.400 -0.037 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2CCC[NH+](C)CC2)C1 ZINC000905086008 656337054 /nfs/dbraw/zinc/33/70/54/656337054.db2.gz GSYOEKXWUBHSFZ-UHFFFAOYSA-N 2 1 268.405 -0.356 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000905086008 656337055 /nfs/dbraw/zinc/33/70/55/656337055.db2.gz GSYOEKXWUBHSFZ-UHFFFAOYSA-N 2 1 268.405 -0.356 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)C[C@H](O)c1ccccc1 ZINC000905345097 656351218 /nfs/dbraw/zinc/35/12/18/656351218.db2.gz LIAKGMSFVCPUJO-KFWWJZLASA-N 2 1 282.384 -0.017 20 0 CBADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905365339 656354211 /nfs/dbraw/zinc/35/42/11/656354211.db2.gz OICFPKWLTCQTQK-STQMWFEESA-N 2 1 274.405 -0.055 20 0 CBADMP O=C1NCCN1CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000905481947 656359632 /nfs/dbraw/zinc/35/96/32/656359632.db2.gz ORJYIACOBRTTCJ-NSHDSACASA-N 2 1 256.350 -0.942 20 0 CBADMP CCO[C@H](C[NH2+]C[C@H](O)C[C@]1(O)CCOC1)C[NH+](C)C ZINC000905581841 656362544 /nfs/dbraw/zinc/36/25/44/656362544.db2.gz XWICEJICVBZBKL-MGPQQGTHSA-N 2 1 290.404 -0.555 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906360962 656385618 /nfs/dbraw/zinc/38/56/18/656385618.db2.gz BKLPQHPNNDAEQK-ZDUSSCGKSA-N 2 1 282.432 -0.062 20 0 CBADMP CC[NH+]1CC[C@@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906360962 656385622 /nfs/dbraw/zinc/38/56/22/656385622.db2.gz BKLPQHPNNDAEQK-ZDUSSCGKSA-N 2 1 282.432 -0.062 20 0 CBADMP CC[NH+]1CC[C@@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906360962 656385628 /nfs/dbraw/zinc/38/56/28/656385628.db2.gz BKLPQHPNNDAEQK-ZDUSSCGKSA-N 2 1 282.432 -0.062 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000906410850 656385855 /nfs/dbraw/zinc/38/58/55/656385855.db2.gz MKGHJVSYGVNPSN-ZDUSSCGKSA-N 2 1 280.416 -0.167 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000906410850 656385856 /nfs/dbraw/zinc/38/58/56/656385856.db2.gz MKGHJVSYGVNPSN-ZDUSSCGKSA-N 2 1 280.416 -0.167 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000906410850 656385858 /nfs/dbraw/zinc/38/58/58/656385858.db2.gz MKGHJVSYGVNPSN-ZDUSSCGKSA-N 2 1 280.416 -0.167 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906618013 656394730 /nfs/dbraw/zinc/39/47/30/656394730.db2.gz HEUBXKZTZIPTMG-AWEZNQCLSA-N 2 1 298.431 -0.683 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906618013 656394732 /nfs/dbraw/zinc/39/47/32/656394732.db2.gz HEUBXKZTZIPTMG-AWEZNQCLSA-N 2 1 298.431 -0.683 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906618013 656394736 /nfs/dbraw/zinc/39/47/36/656394736.db2.gz HEUBXKZTZIPTMG-AWEZNQCLSA-N 2 1 298.431 -0.683 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000906857490 656403906 /nfs/dbraw/zinc/40/39/06/656403906.db2.gz YBBFVLNQVQQLEJ-UHFFFAOYSA-N 2 1 298.431 -0.947 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996464599 656414009 /nfs/dbraw/zinc/41/40/09/656414009.db2.gz NYHHAHRKKJGQEN-ZDUSSCGKSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996647847 656449027 /nfs/dbraw/zinc/44/90/27/656449027.db2.gz QKBUVFIQFRVKLA-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996647847 656449029 /nfs/dbraw/zinc/44/90/29/656449029.db2.gz QKBUVFIQFRVKLA-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996658871 656450231 /nfs/dbraw/zinc/45/02/31/656450231.db2.gz DISPJEXOQATLCV-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000996929797 656460469 /nfs/dbraw/zinc/46/04/69/656460469.db2.gz PAXJQRCREWTTDQ-CQSZACIVSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000996929797 656460472 /nfs/dbraw/zinc/46/04/72/656460472.db2.gz PAXJQRCREWTTDQ-CQSZACIVSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907220229 656475832 /nfs/dbraw/zinc/47/58/32/656475832.db2.gz DXXQWQMYQSGYON-UHFFFAOYSA-N 2 1 270.421 -0.110 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC000907440507 656505966 /nfs/dbraw/zinc/50/59/66/656505966.db2.gz JUCPHJAQAZSFNH-UHFFFAOYSA-N 2 1 255.362 -0.487 20 0 CBADMP C[C@@H](O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000907515563 656519007 /nfs/dbraw/zinc/51/90/07/656519007.db2.gz MWLQHPMIILNMEF-YNEHKIRRSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000907515563 656519015 /nfs/dbraw/zinc/51/90/15/656519015.db2.gz MWLQHPMIILNMEF-YNEHKIRRSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000907515563 656519018 /nfs/dbraw/zinc/51/90/18/656519018.db2.gz MWLQHPMIILNMEF-YNEHKIRRSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000907515563 656519020 /nfs/dbraw/zinc/51/90/20/656519020.db2.gz MWLQHPMIILNMEF-YNEHKIRRSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000907516239 656519037 /nfs/dbraw/zinc/51/90/37/656519037.db2.gz UAUSFKKQTQTHBA-CHWSQXEVSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000907516239 656519040 /nfs/dbraw/zinc/51/90/40/656519040.db2.gz UAUSFKKQTQTHBA-CHWSQXEVSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC2(C1)CCN(C(=O)C[C@@]1(O)CCC[N@@H+](C)C1)C2 ZINC000907762092 656569377 /nfs/dbraw/zinc/56/93/77/656569377.db2.gz AHQVCTSMUYPMPX-HNNXBMFYSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CC2(C1)CCN(C(=O)C[C@]1(O)CCC[N@@H+](C)C1)C2 ZINC000907762094 656570344 /nfs/dbraw/zinc/57/03/44/656570344.db2.gz AHQVCTSMUYPMPX-OAHLLOKOSA-N 2 1 281.400 -0.003 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000998724014 656572679 /nfs/dbraw/zinc/57/26/79/656572679.db2.gz UAOCSDXPIWJZLT-GHMZBOCLSA-N 2 1 268.361 -0.854 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000907805511 656582182 /nfs/dbraw/zinc/58/21/82/656582182.db2.gz SDYDBWALBHZWSZ-GFQSEFKGSA-N 2 1 267.373 -0.539 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)C[C@H]2C1 ZINC000907805511 656582183 /nfs/dbraw/zinc/58/21/83/656582183.db2.gz SDYDBWALBHZWSZ-GFQSEFKGSA-N 2 1 267.373 -0.539 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)C[C@H]2C1 ZINC000907805511 656582186 /nfs/dbraw/zinc/58/21/86/656582186.db2.gz SDYDBWALBHZWSZ-GFQSEFKGSA-N 2 1 267.373 -0.539 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC000998792731 656585934 /nfs/dbraw/zinc/58/59/34/656585934.db2.gz ATAGYDZXJZODHT-IFWUJCSASA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC000999363346 656625729 /nfs/dbraw/zinc/62/57/29/656625729.db2.gz GONBEHBKPXPBNT-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC000999363343 656626080 /nfs/dbraw/zinc/62/60/80/656626080.db2.gz GONBEHBKPXPBNT-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H]1C[NH+]2CCN1CCC2)C1CCC1 ZINC000908029445 656628167 /nfs/dbraw/zinc/62/81/67/656628167.db2.gz KOFMZBGATYMZMW-AWEZNQCLSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+](CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)C1CCC1 ZINC000908029445 656628172 /nfs/dbraw/zinc/62/81/72/656628172.db2.gz KOFMZBGATYMZMW-AWEZNQCLSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+](CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2)C1CCC1 ZINC000908029445 656628175 /nfs/dbraw/zinc/62/81/75/656628175.db2.gz KOFMZBGATYMZMW-AWEZNQCLSA-N 2 1 280.416 -0.023 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999722655 656647799 /nfs/dbraw/zinc/64/77/99/656647799.db2.gz CDWKEBWFDFYKFE-GFCCVEGCSA-N 2 1 266.345 -0.236 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000908119165 656651265 /nfs/dbraw/zinc/65/12/65/656651265.db2.gz PRTLUCXWILNHJO-GZBFAFLISA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000908119165 656651281 /nfs/dbraw/zinc/65/12/81/656651281.db2.gz PRTLUCXWILNHJO-GZBFAFLISA-N 2 1 299.415 -0.596 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000999876491 656663618 /nfs/dbraw/zinc/66/36/18/656663618.db2.gz MGPKHPYLUJXERH-WXRRBKDZSA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000908200272 656664906 /nfs/dbraw/zinc/66/49/06/656664906.db2.gz IDPLPMYGCNGFJO-QWRGUYRKSA-N 2 1 257.378 -0.102 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908205033 656671782 /nfs/dbraw/zinc/67/17/82/656671782.db2.gz UJLOTFWYEUJZIR-GFCCVEGCSA-N 2 1 255.362 -0.345 20 0 CBADMP C[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)C[NH+](C)C ZINC000908345623 656707681 /nfs/dbraw/zinc/70/76/81/656707681.db2.gz JMVLCAAHGJJIEO-NTZNESFSSA-N 2 1 257.378 -0.245 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000908334126 656707855 /nfs/dbraw/zinc/70/78/55/656707855.db2.gz IWVBODWDQDFEHN-HIFRSBDPSA-N 2 1 297.399 -0.768 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000908334126 656707870 /nfs/dbraw/zinc/70/78/70/656707870.db2.gz IWVBODWDQDFEHN-HIFRSBDPSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000908346343 656709550 /nfs/dbraw/zinc/70/95/50/656709550.db2.gz GBSZXQQCJFJCMP-SFTQSGBHSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)[C@@H]2C1 ZINC000908346343 656709566 /nfs/dbraw/zinc/70/95/66/656709566.db2.gz GBSZXQQCJFJCMP-SFTQSGBHSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)[C@@H]2C1 ZINC000908346343 656709577 /nfs/dbraw/zinc/70/95/77/656709577.db2.gz GBSZXQQCJFJCMP-SFTQSGBHSA-N 2 1 267.373 -0.396 20 0 CBADMP COCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000546715 656735386 /nfs/dbraw/zinc/73/53/86/656735386.db2.gz IJTZVKXGWGEOET-CQSZACIVSA-N 2 1 297.399 -0.288 20 0 CBADMP COCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000546715 656735398 /nfs/dbraw/zinc/73/53/98/656735398.db2.gz IJTZVKXGWGEOET-CQSZACIVSA-N 2 1 297.399 -0.288 20 0 CBADMP COCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001000546715 656735404 /nfs/dbraw/zinc/73/54/04/656735404.db2.gz IJTZVKXGWGEOET-CQSZACIVSA-N 2 1 297.399 -0.288 20 0 CBADMP COCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001000546715 656735413 /nfs/dbraw/zinc/73/54/13/656735413.db2.gz IJTZVKXGWGEOET-CQSZACIVSA-N 2 1 297.399 -0.288 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000917771 656774615 /nfs/dbraw/zinc/77/46/15/656774615.db2.gz MHPROOIBWHSXPB-WDEREUQCSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CCC[C@](O)(CC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000909273986 656803917 /nfs/dbraw/zinc/80/39/17/656803917.db2.gz YQYINAMPTKBJTM-HNNXBMFYSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000909436325 656814052 /nfs/dbraw/zinc/81/40/52/656814052.db2.gz KFLVSUMYFQHYCY-LBPRGKRZSA-N 2 1 267.373 -0.393 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000909436325 656814053 /nfs/dbraw/zinc/81/40/53/656814053.db2.gz KFLVSUMYFQHYCY-LBPRGKRZSA-N 2 1 267.373 -0.393 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001002462419 656833791 /nfs/dbraw/zinc/83/37/91/656833791.db2.gz UJXWOAUWPDFTOF-CMPLNLGQSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002462419 656833794 /nfs/dbraw/zinc/83/37/94/656833794.db2.gz UJXWOAUWPDFTOF-CMPLNLGQSA-N 2 1 282.388 -0.465 20 0 CBADMP COC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002536398 656835962 /nfs/dbraw/zinc/83/59/62/656835962.db2.gz RBVNKVIVUUEKOU-OCCSQVGLSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002536398 656835966 /nfs/dbraw/zinc/83/59/66/656835966.db2.gz RBVNKVIVUUEKOU-OCCSQVGLSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002536642 656836119 /nfs/dbraw/zinc/83/61/19/656836119.db2.gz UODATDPLNIKDTD-WCQYABFASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002536642 656836120 /nfs/dbraw/zinc/83/61/20/656836120.db2.gz UODATDPLNIKDTD-WCQYABFASA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002536387 656836391 /nfs/dbraw/zinc/83/63/91/656836391.db2.gz RBVNKVIVUUEKOU-JSGCOSHPSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002536387 656836392 /nfs/dbraw/zinc/83/63/92/656836392.db2.gz RBVNKVIVUUEKOU-JSGCOSHPSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002852010 656841784 /nfs/dbraw/zinc/84/17/84/656841784.db2.gz NOLFHSYLRPZVNV-NQBHXWOUSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002852010 656841786 /nfs/dbraw/zinc/84/17/86/656841786.db2.gz NOLFHSYLRPZVNV-NQBHXWOUSA-N 2 1 296.415 -0.219 20 0 CBADMP O=C(NC1CC[NH+](CCO)CC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001002875615 656842654 /nfs/dbraw/zinc/84/26/54/656842654.db2.gz NTZYPJUSTHYFLD-ZIAGYGMSSA-N 2 1 297.399 -0.578 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001003159885 656850046 /nfs/dbraw/zinc/85/00/46/656850046.db2.gz OQULAQRATRVTSO-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003159885 656850052 /nfs/dbraw/zinc/85/00/52/656850052.db2.gz OQULAQRATRVTSO-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001003625691 656865836 /nfs/dbraw/zinc/86/58/36/656865836.db2.gz JNZRYBVFNWWQMR-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001003625691 656865840 /nfs/dbraw/zinc/86/58/40/656865840.db2.gz JNZRYBVFNWWQMR-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001003970844 656878420 /nfs/dbraw/zinc/87/84/20/656878420.db2.gz LGFUVCGWHCYNDQ-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003968809 656878618 /nfs/dbraw/zinc/87/86/18/656878618.db2.gz VCNKOLXWUYUKRK-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003968809 656878622 /nfs/dbraw/zinc/87/86/22/656878622.db2.gz VCNKOLXWUYUKRK-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](CCCO)CC2)C1 ZINC001004150413 656881649 /nfs/dbraw/zinc/88/16/49/656881649.db2.gz SDBNHNCVSMXEIW-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004150243 656881749 /nfs/dbraw/zinc/88/17/49/656881749.db2.gz QRONHAAIQQJLMP-RYUDHWBXSA-N 2 1 269.389 -0.101 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCO)CC1 ZINC001005183837 656895063 /nfs/dbraw/zinc/89/50/63/656895063.db2.gz KQILYGPQNLGQOY-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](CC(N)=O)CC1 ZINC001005591871 656916970 /nfs/dbraw/zinc/91/69/70/656916970.db2.gz INPKFVXQSBGGOY-CYBMUJFWSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](CC(N)=O)CC1 ZINC001005591871 656916975 /nfs/dbraw/zinc/91/69/75/656916975.db2.gz INPKFVXQSBGGOY-CYBMUJFWSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC[N@H+]1C ZINC000911006172 656928084 /nfs/dbraw/zinc/92/80/84/656928084.db2.gz DJFKKEPOVFSACI-WOPDTQHZSA-N 2 1 296.415 -0.301 20 0 CBADMP 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 656928243 /nfs/dbraw/zinc/92/82/43/656928243.db2.gz HKYYNOFWUNRICE-XQHKEYJVSA-N 2 1 296.415 -0.362 20 0 CBADMP 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 656928833 /nfs/dbraw/zinc/92/88/33/656928833.db2.gz CVAJFGNRAJLWPB-NOOOWODRSA-N 2 1 282.388 -0.609 20 0 CBADMP 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 656929087 /nfs/dbraw/zinc/92/90/87/656929087.db2.gz IXSCHEDDZWFYIR-NAWOPXAZSA-N 2 1 294.399 -0.406 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000911009590 656929243 /nfs/dbraw/zinc/92/92/43/656929243.db2.gz SUIWTBMGUASAAQ-DDHJBXDOSA-N 2 1 282.388 -0.691 20 0 CBADMP C[N@@H+](CCCCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CC1 ZINC000911016588 656931232 /nfs/dbraw/zinc/93/12/32/656931232.db2.gz FTZBRHBHNSWXTP-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000911072208 656939813 /nfs/dbraw/zinc/93/98/13/656939813.db2.gz HCCZQNFQJOKNCS-JFGNBEQYSA-N 2 1 280.372 -0.855 20 0 CBADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC001006296022 656941919 /nfs/dbraw/zinc/94/19/19/656941919.db2.gz XIPLULNSMUADGM-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC001006296022 656941925 /nfs/dbraw/zinc/94/19/25/656941925.db2.gz XIPLULNSMUADGM-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCO)CC1 ZINC001006401372 656945365 /nfs/dbraw/zinc/94/53/65/656945365.db2.gz QZZQUXUSGQENJM-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP CNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006402550 656946386 /nfs/dbraw/zinc/94/63/86/656946386.db2.gz XOOILMYFBSLNIW-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006402550 656946397 /nfs/dbraw/zinc/94/63/97/656946397.db2.gz XOOILMYFBSLNIW-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000911147763 656962475 /nfs/dbraw/zinc/96/24/75/656962475.db2.gz JYODDGWPFAQSSV-KCQAQPDRSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000911148656 656965031 /nfs/dbraw/zinc/96/50/31/656965031.db2.gz ZHXMLAOICTVRJX-LSCVPOLPSA-N 2 1 294.399 -0.548 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911161537 656967518 /nfs/dbraw/zinc/96/75/18/656967518.db2.gz LONXZRQVJSMZFP-NSHDSACASA-N 2 1 282.388 -0.558 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911187725 656977684 /nfs/dbraw/zinc/97/76/84/656977684.db2.gz PERNCIVRHZOMEX-VXGBXAGGSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)[N@@H+](C)C1CC1 ZINC000911204423 656985094 /nfs/dbraw/zinc/98/50/94/656985094.db2.gz COGYEQDFEJRYAL-JQWIXIFHSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[N@@H+](C)C1CC1 ZINC000911206602 656985344 /nfs/dbraw/zinc/98/53/44/656985344.db2.gz QZRKEQGPPTVCKB-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911208140 656985659 /nfs/dbraw/zinc/98/56/59/656985659.db2.gz JXQIVVQIRGDNGM-FRRDWIJNSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1[NH3+] ZINC000911214499 656986712 /nfs/dbraw/zinc/98/67/12/656986712.db2.gz GHDQRLWEJVQWBG-FVCCEPFGSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000911216398 656989106 /nfs/dbraw/zinc/98/91/06/656989106.db2.gz ZEPCKTLSXYYQET-NQBHXWOUSA-N 2 1 294.399 -0.689 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000911223671 656991898 /nfs/dbraw/zinc/99/18/98/656991898.db2.gz RDNZBADCJCEMJW-KGYLQXTDSA-N 2 1 294.399 -0.689 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000911236534 656992775 /nfs/dbraw/zinc/99/27/75/656992775.db2.gz AMXCNLLFRUKZQQ-GFCCVEGCSA-N 2 1 294.399 -0.273 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000911236536 656993668 /nfs/dbraw/zinc/99/36/68/656993668.db2.gz AMXCNLLFRUKZQQ-LBPRGKRZSA-N 2 1 294.399 -0.273 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000911267812 657003108 /nfs/dbraw/zinc/00/31/08/657003108.db2.gz ABCKFZXLVQOFQA-CYDGBPFRSA-N 2 1 294.399 -0.417 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000911268005 657003357 /nfs/dbraw/zinc/00/33/57/657003357.db2.gz SSOXJHQYPBPDPD-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000911270060 657004677 /nfs/dbraw/zinc/00/46/77/657004677.db2.gz RHXGJTLHZQTEBS-YNEHKIRRSA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CCO)C2)CC[NH+]1C ZINC001007370565 657007858 /nfs/dbraw/zinc/00/78/58/657007858.db2.gz BFGMFNRDUPEVJP-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)CC[NH+]1C ZINC001007370565 657007862 /nfs/dbraw/zinc/00/78/62/657007862.db2.gz BFGMFNRDUPEVJP-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911282693 657010192 /nfs/dbraw/zinc/01/01/92/657010192.db2.gz SHBXXKOZYAJTCZ-SMDDNHRTSA-N 2 1 282.388 -0.878 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000911296269 657013290 /nfs/dbraw/zinc/01/32/90/657013290.db2.gz KYTRTXUTRYZQTC-VXGBXAGGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000911296269 657013294 /nfs/dbraw/zinc/01/32/94/657013294.db2.gz KYTRTXUTRYZQTC-VXGBXAGGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000911298371 657014143 /nfs/dbraw/zinc/01/41/43/657014143.db2.gz QRBAPDIYDSDPQF-LBPRGKRZSA-N 2 1 296.415 -0.312 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000911298370 657014321 /nfs/dbraw/zinc/01/43/21/657014321.db2.gz QRBAPDIYDSDPQF-GFCCVEGCSA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000911369695 657028616 /nfs/dbraw/zinc/02/86/16/657028616.db2.gz ACYLVVKHXRPHSM-ZYHUDNBSSA-N 2 1 282.388 -0.737 20 0 CBADMP 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 657028633 /nfs/dbraw/zinc/02/86/33/657028633.db2.gz LFOICIHBLWUYMY-FVCCEPFGSA-N 2 1 296.415 -0.348 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000911370002 657028866 /nfs/dbraw/zinc/02/88/66/657028866.db2.gz KQIQQARRJADCDZ-MROQNXINSA-N 2 1 296.415 -0.348 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000911370002 657028872 /nfs/dbraw/zinc/02/88/72/657028872.db2.gz KQIQQARRJADCDZ-MROQNXINSA-N 2 1 296.415 -0.348 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000911370048 657029118 /nfs/dbraw/zinc/02/91/18/657029118.db2.gz MNZULTAUVRAISA-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000911373866 657030166 /nfs/dbraw/zinc/03/01/66/657030166.db2.gz BOIOFKZIUQQOHW-FRRDWIJNSA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000911382743 657032692 /nfs/dbraw/zinc/03/26/92/657032692.db2.gz OJPVDCWYZMBTKS-FRRDWIJNSA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000911387898 657034390 /nfs/dbraw/zinc/03/43/90/657034390.db2.gz FFHCCNOZQQYTKX-JHJVBQTASA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001008543511 657049077 /nfs/dbraw/zinc/04/90/77/657049077.db2.gz WPFFFKUZBYWASA-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001008543511 657049083 /nfs/dbraw/zinc/04/90/83/657049083.db2.gz WPFFFKUZBYWASA-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001008543511 657049085 /nfs/dbraw/zinc/04/90/85/657049085.db2.gz WPFFFKUZBYWASA-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP CN(C(=O)C(=O)NCC1([NH3+])CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000911501230 657056822 /nfs/dbraw/zinc/05/68/22/657056822.db2.gz AMGUZNCJFGYORP-NSHDSACASA-N 2 1 280.372 -0.711 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000911507474 657061907 /nfs/dbraw/zinc/06/19/07/657061907.db2.gz XUIDUKYTSYXPCL-UHFFFAOYSA-N 2 1 280.372 -0.709 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911518740 657065461 /nfs/dbraw/zinc/06/54/61/657065461.db2.gz AXGSQMZPTIISME-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)C(C)C ZINC000911520993 657066230 /nfs/dbraw/zinc/06/62/30/657066230.db2.gz LMGPXOLYGAQFEO-GFCCVEGCSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911532053 657069719 /nfs/dbraw/zinc/06/97/19/657069719.db2.gz JOLDVFUQXDGJBB-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911548865 657074579 /nfs/dbraw/zinc/07/45/79/657074579.db2.gz BHKCJGJSHZKGCX-FVCCEPFGSA-N 2 1 294.399 -0.404 20 0 CBADMP 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 657076118 /nfs/dbraw/zinc/07/61/18/657076118.db2.gz LRRJHPOSZUWBKZ-MROQNXINSA-N 2 1 294.399 -0.452 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911559200 657078333 /nfs/dbraw/zinc/07/83/33/657078333.db2.gz CBLSPYOKNVOADW-IJLUTSLNSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[C@H]1C ZINC000911564416 657079878 /nfs/dbraw/zinc/07/98/78/657079878.db2.gz YNCIVOYYFDIRCF-YVECIDJPSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[C@H]1C ZINC000911564416 657079882 /nfs/dbraw/zinc/07/98/82/657079882.db2.gz YNCIVOYYFDIRCF-YVECIDJPSA-N 2 1 296.415 -0.219 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911939786 657171536 /nfs/dbraw/zinc/17/15/36/657171536.db2.gz ZYMSDOUBYZWNPZ-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000912305244 657227274 /nfs/dbraw/zinc/22/72/74/657227274.db2.gz WIIUUAULKJOSSF-SDDRHHMPSA-N 2 1 284.404 -0.504 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000912305244 657227291 /nfs/dbraw/zinc/22/72/91/657227291.db2.gz WIIUUAULKJOSSF-SDDRHHMPSA-N 2 1 284.404 -0.504 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000912599749 657289399 /nfs/dbraw/zinc/28/93/99/657289399.db2.gz SBWFEAVCVWDYKZ-UHFFFAOYSA-N 2 1 297.403 -0.559 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000912601080 657292238 /nfs/dbraw/zinc/29/22/38/657292238.db2.gz STBOIZUDFLGAPW-UHFFFAOYSA-N 2 1 299.415 -0.520 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912904224 657356780 /nfs/dbraw/zinc/35/67/80/657356780.db2.gz SJWNFLBULVDAOI-BZPMIXESSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)O1 ZINC001014920266 657391743 /nfs/dbraw/zinc/39/17/43/657391743.db2.gz MJWZEYBVQGYHEM-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)O1 ZINC001014920266 657391748 /nfs/dbraw/zinc/39/17/48/657391748.db2.gz MJWZEYBVQGYHEM-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@H+](CCCO)C2)O1 ZINC001014920266 657391752 /nfs/dbraw/zinc/39/17/52/657391752.db2.gz MJWZEYBVQGYHEM-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)O1 ZINC001014920266 657391755 /nfs/dbraw/zinc/39/17/55/657391755.db2.gz MJWZEYBVQGYHEM-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCO)C1 ZINC001014961380 657393265 /nfs/dbraw/zinc/39/32/65/657393265.db2.gz HIFLZMTZUAASNI-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCO)C1 ZINC001014961380 657393272 /nfs/dbraw/zinc/39/32/72/657393272.db2.gz HIFLZMTZUAASNI-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001014961380 657393278 /nfs/dbraw/zinc/39/32/78/657393278.db2.gz HIFLZMTZUAASNI-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001014961380 657393289 /nfs/dbraw/zinc/39/32/89/657393289.db2.gz HIFLZMTZUAASNI-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000913178063 657394121 /nfs/dbraw/zinc/39/41/21/657394121.db2.gz BQTKYLUXNTXDIS-HIFRSBDPSA-N 2 1 297.399 -0.530 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000913178063 657394126 /nfs/dbraw/zinc/39/41/26/657394126.db2.gz BQTKYLUXNTXDIS-HIFRSBDPSA-N 2 1 297.399 -0.530 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)c1ccc2c[nH+]cn2c1 ZINC000913181407 657398067 /nfs/dbraw/zinc/39/80/67/657398067.db2.gz JPALHDFFPIMMSQ-AWEZNQCLSA-N 2 1 290.323 -0.585 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)[NH+](C)C ZINC000913189452 657416958 /nfs/dbraw/zinc/41/69/58/657416958.db2.gz XBVWRJLQBUBVTP-WCQYABFASA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)(C(=O)NC[C@]1(CO)COCC[NH2+]1)[NH+]1CCCCC1 ZINC000913196683 657427636 /nfs/dbraw/zinc/42/76/36/657427636.db2.gz QRJWMIJWNLQPKX-HNNXBMFYSA-N 2 1 299.415 -0.282 20 0 CBADMP CN1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000913334582 657441950 /nfs/dbraw/zinc/44/19/50/657441950.db2.gz NXOHCGYJHBWGDO-LOWVWBTDSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000913334582 657441955 /nfs/dbraw/zinc/44/19/55/657441955.db2.gz NXOHCGYJHBWGDO-LOWVWBTDSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000913334582 657441960 /nfs/dbraw/zinc/44/19/60/657441960.db2.gz NXOHCGYJHBWGDO-LOWVWBTDSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1CCC[C@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000913334582 657441970 /nfs/dbraw/zinc/44/19/70/657441970.db2.gz NXOHCGYJHBWGDO-LOWVWBTDSA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000913426951 657450527 /nfs/dbraw/zinc/45/05/27/657450527.db2.gz HHQJSCOYXGDEMK-SLEUVZQESA-N 2 1 299.415 -0.597 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000913426951 657450536 /nfs/dbraw/zinc/45/05/36/657450536.db2.gz HHQJSCOYXGDEMK-SLEUVZQESA-N 2 1 299.415 -0.597 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000913426951 657450541 /nfs/dbraw/zinc/45/05/41/657450541.db2.gz HHQJSCOYXGDEMK-SLEUVZQESA-N 2 1 299.415 -0.597 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000913426951 657450545 /nfs/dbraw/zinc/45/05/45/657450545.db2.gz HHQJSCOYXGDEMK-SLEUVZQESA-N 2 1 299.415 -0.597 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CC[N@H+](CCO)C1)CC2 ZINC001015619615 657479860 /nfs/dbraw/zinc/47/98/60/657479860.db2.gz BFZHYRMZYWZRBP-STQMWFEESA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCO)C1)CC2 ZINC001015619615 657479870 /nfs/dbraw/zinc/47/98/70/657479870.db2.gz BFZHYRMZYWZRBP-STQMWFEESA-N 2 1 292.383 -0.063 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001015704641 657522460 /nfs/dbraw/zinc/52/24/60/657522460.db2.gz BODONGNKNHZNQB-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001015704641 657522469 /nfs/dbraw/zinc/52/24/69/657522469.db2.gz BODONGNKNHZNQB-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001015704641 657522478 /nfs/dbraw/zinc/52/24/78/657522478.db2.gz BODONGNKNHZNQB-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000913676027 657582043 /nfs/dbraw/zinc/58/20/43/657582043.db2.gz KIZCCBPDGGTXJA-LBPRGKRZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252552 657669821 /nfs/dbraw/zinc/66/98/21/657669821.db2.gz TZBUZUSUCSABAQ-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001016255259 657675223 /nfs/dbraw/zinc/67/52/23/657675223.db2.gz LTKUHJWDIMVKNN-QWHCGFSZSA-N 2 1 294.399 -0.639 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001016255259 657675234 /nfs/dbraw/zinc/67/52/34/657675234.db2.gz LTKUHJWDIMVKNN-QWHCGFSZSA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC001016255259 657675239 /nfs/dbraw/zinc/67/52/39/657675239.db2.gz LTKUHJWDIMVKNN-QWHCGFSZSA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001016255259 657675247 /nfs/dbraw/zinc/67/52/47/657675247.db2.gz LTKUHJWDIMVKNN-QWHCGFSZSA-N 2 1 294.399 -0.639 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000916332812 657772210 /nfs/dbraw/zinc/77/22/10/657772210.db2.gz ZKIGGXVOFBWXDG-RYUDHWBXSA-N 2 1 272.393 -0.044 20 0 CBADMP COCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000916332812 657772230 /nfs/dbraw/zinc/77/22/30/657772230.db2.gz ZKIGGXVOFBWXDG-RYUDHWBXSA-N 2 1 272.393 -0.044 20 0 CBADMP COCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000916332812 657772239 /nfs/dbraw/zinc/77/22/39/657772239.db2.gz ZKIGGXVOFBWXDG-RYUDHWBXSA-N 2 1 272.393 -0.044 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000916841519 657788826 /nfs/dbraw/zinc/78/88/26/657788826.db2.gz GAHLLUYDGFFLFM-UPJWGTAASA-N 2 1 282.388 -0.147 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000916841519 657788833 /nfs/dbraw/zinc/78/88/33/657788833.db2.gz GAHLLUYDGFFLFM-UPJWGTAASA-N 2 1 282.388 -0.147 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000916841519 657788840 /nfs/dbraw/zinc/78/88/40/657788840.db2.gz GAHLLUYDGFFLFM-UPJWGTAASA-N 2 1 282.388 -0.147 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001018628477 657827574 /nfs/dbraw/zinc/82/75/74/657827574.db2.gz LXGMVNKYUDGUBB-NWDGAFQWSA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001018628477 657827576 /nfs/dbraw/zinc/82/75/76/657827576.db2.gz LXGMVNKYUDGUBB-NWDGAFQWSA-N 2 1 292.387 -0.400 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC3CC3)C2)C1 ZINC001018665505 657836324 /nfs/dbraw/zinc/83/63/24/657836324.db2.gz STAVHZSLVZCTFE-STQMWFEESA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC3CC3)C2)C1 ZINC001018665505 657836326 /nfs/dbraw/zinc/83/63/26/657836326.db2.gz STAVHZSLVZCTFE-STQMWFEESA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001018971877 657855829 /nfs/dbraw/zinc/85/58/29/657855829.db2.gz YERRLNHFZBWINJ-WCQYABFASA-N 2 1 294.399 -0.450 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019152639 657866246 /nfs/dbraw/zinc/86/62/46/657866246.db2.gz DSBARYKHXXGFNW-NWDGAFQWSA-N 2 1 291.355 -0.729 20 0 CBADMP CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001019241629 657876107 /nfs/dbraw/zinc/87/61/07/657876107.db2.gz PJVIQIXOJGCJJT-YNEHKIRRSA-N 2 1 294.399 -0.498 20 0 CBADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001019259415 657877305 /nfs/dbraw/zinc/87/73/05/657877305.db2.gz HRUNTHPBDYYDTD-AVGNSLFASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)C(N)=O ZINC001019386168 657891903 /nfs/dbraw/zinc/89/19/03/657891903.db2.gz GLDUHHDBPRNEJY-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019468073 657898019 /nfs/dbraw/zinc/89/80/19/657898019.db2.gz FOWQQSYCNPOLTJ-STQMWFEESA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001019518563 657903253 /nfs/dbraw/zinc/90/32/53/657903253.db2.gz TUNXPYOWULNPDD-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001019771506 657936633 /nfs/dbraw/zinc/93/66/33/657936633.db2.gz QJERUYLZAHAPEQ-NEPJUHHUSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019771506 657936648 /nfs/dbraw/zinc/93/66/48/657936648.db2.gz QJERUYLZAHAPEQ-NEPJUHHUSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001019772345 657936991 /nfs/dbraw/zinc/93/69/91/657936991.db2.gz ASGKMPHVJRQAGW-RYUDHWBXSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001019772345 657937003 /nfs/dbraw/zinc/93/70/03/657937003.db2.gz ASGKMPHVJRQAGW-RYUDHWBXSA-N 2 1 292.387 -0.543 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001019772818 657938594 /nfs/dbraw/zinc/93/85/94/657938594.db2.gz SJZHXXBQODSPJD-STQMWFEESA-N 2 1 292.387 -0.580 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001019776123 657939023 /nfs/dbraw/zinc/93/90/23/657939023.db2.gz XSPQSXLLXHECSW-LBPRGKRZSA-N 2 1 292.387 -0.399 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020026111 657986107 /nfs/dbraw/zinc/98/61/07/657986107.db2.gz HMPQZVSCATUYRI-FIQHERPVSA-N 2 1 280.372 -0.794 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001020025723 657987358 /nfs/dbraw/zinc/98/73/58/657987358.db2.gz ZUCGNRIHGFBDDS-IJLUTSLNSA-N 2 1 292.387 -0.354 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001020028908 657989840 /nfs/dbraw/zinc/98/98/40/657989840.db2.gz NVQHFIYDRUVWJG-NAKRPEOUSA-N 2 1 268.361 -0.809 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001020028909 657992356 /nfs/dbraw/zinc/99/23/56/657992356.db2.gz NVQHFIYDRUVWJG-XWLWVQCSSA-N 2 1 268.361 -0.809 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCOC3)C2)C1 ZINC001020046008 657998660 /nfs/dbraw/zinc/99/86/60/657998660.db2.gz RHBQQPNASNDPMM-AAVRWANBSA-N 2 1 297.399 -0.410 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCOC3)C2)C1 ZINC001020046008 657998672 /nfs/dbraw/zinc/99/86/72/657998672.db2.gz RHBQQPNASNDPMM-AAVRWANBSA-N 2 1 297.399 -0.410 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001020150986 658020038 /nfs/dbraw/zinc/02/00/38/658020038.db2.gz GSIYGAMVCAMHEP-FDYHWXHSSA-N 2 1 294.399 -0.417 20 0 CBADMP 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 658021253 /nfs/dbraw/zinc/02/12/53/658021253.db2.gz KCLDKVUBBFUTQL-SYLRKERUSA-N 2 1 294.399 -0.548 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001020172342 658021674 /nfs/dbraw/zinc/02/16/74/658021674.db2.gz YSEJVGDHNKJFRR-SYLRKERUSA-N 2 1 269.389 -0.056 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020239257 658030013 /nfs/dbraw/zinc/03/00/13/658030013.db2.gz URAJIICQEYTETK-AVGNSLFASA-N 2 1 296.415 -0.029 20 0 CBADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020400929 658046649 /nfs/dbraw/zinc/04/66/49/658046649.db2.gz IKTJNLSZKYRWGU-HAQNSBGRSA-N 2 1 292.383 -0.009 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCCOCC1 ZINC000922608354 658061838 /nfs/dbraw/zinc/06/18/38/658061838.db2.gz RPBJFERJAVPQNP-LBPRGKRZSA-N 2 1 270.377 -0.288 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000922608354 658061851 /nfs/dbraw/zinc/06/18/51/658061851.db2.gz RPBJFERJAVPQNP-LBPRGKRZSA-N 2 1 270.377 -0.288 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NCC[N@H+]1CCCOCC1 ZINC000922608354 658061868 /nfs/dbraw/zinc/06/18/68/658061868.db2.gz RPBJFERJAVPQNP-LBPRGKRZSA-N 2 1 270.377 -0.288 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020586789 658076656 /nfs/dbraw/zinc/07/66/56/658076656.db2.gz ZDWGBZMWXGMFFY-LPWJVIDDSA-N 2 1 294.399 -0.404 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020928443 658119532 /nfs/dbraw/zinc/11/95/32/658119532.db2.gz FBXLEOUQAWQYKE-IJLUTSLNSA-N 2 1 255.362 -0.443 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001020929270 658120058 /nfs/dbraw/zinc/12/00/58/658120058.db2.gz VYCJSWIYMWPGRM-CYDGBPFRSA-N 2 1 269.389 -0.054 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCC1([NH+](C)C)CC1 ZINC000923002101 658129750 /nfs/dbraw/zinc/12/97/50/658129750.db2.gz DVHGNBQNZUGYAV-UHFFFAOYSA-N 2 1 272.393 -0.306 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001021047606 658137889 /nfs/dbraw/zinc/13/78/89/658137889.db2.gz JCNCGSLAIMMCNO-KKOKHZNYSA-N 2 1 280.372 -0.937 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001021047459 658138642 /nfs/dbraw/zinc/13/86/42/658138642.db2.gz DPZISFOFMXPMKM-FDYHWXHSSA-N 2 1 294.399 -0.547 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001021050377 658141648 /nfs/dbraw/zinc/14/16/48/658141648.db2.gz GOGYIUXSJLTUJL-HAQNSBGRSA-N 2 1 292.387 -0.352 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021049322 658142269 /nfs/dbraw/zinc/14/22/69/658142269.db2.gz MEJJGVAIJFVQHX-USZNOCQGSA-N 2 1 255.362 -0.444 20 0 CBADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001021051337 658143018 /nfs/dbraw/zinc/14/30/18/658143018.db2.gz JSWHKWMOIFTEJS-XYPYZODXSA-N 2 1 293.375 -0.957 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001021096431 658151129 /nfs/dbraw/zinc/15/11/29/658151129.db2.gz SUAAEHKRKUYAQA-IJLUTSLNSA-N 2 1 282.388 -0.417 20 0 CBADMP C[NH2+]C[C@@H]1CCC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000923279200 658192755 /nfs/dbraw/zinc/19/27/55/658192755.db2.gz HREHRASDQCSQCA-NSHDSACASA-N 2 1 268.361 -0.188 20 0 CBADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000923279200 658192760 /nfs/dbraw/zinc/19/27/60/658192760.db2.gz HREHRASDQCSQCA-NSHDSACASA-N 2 1 268.361 -0.188 20 0 CBADMP NC(=O)[C@H]1CCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299412 658198440 /nfs/dbraw/zinc/19/84/40/658198440.db2.gz UNCUJVFJRSZDMK-GHMZBOCLSA-N 2 1 253.346 -0.295 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000923301153 658198867 /nfs/dbraw/zinc/19/88/67/658198867.db2.gz OUUYNRAVNXEDNE-XUXIUFHCSA-N 2 1 297.399 -0.592 20 0 CBADMP C[N@@H+](CC(=O)N1CCCC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923302077 658199712 /nfs/dbraw/zinc/19/97/12/658199712.db2.gz QKMUOXVOCUXZRB-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP C[N@H+](CC(=O)N1CCCC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923302077 658199726 /nfs/dbraw/zinc/19/97/26/658199726.db2.gz QKMUOXVOCUXZRB-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP C[N@@H+](CC(=O)N1CCOCC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923304397 658199978 /nfs/dbraw/zinc/19/99/78/658199978.db2.gz WQIFSRJOQCRMNA-LBPRGKRZSA-N 2 1 283.372 -0.845 20 0 CBADMP C[N@H+](CC(=O)N1CCOCC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923304397 658199994 /nfs/dbraw/zinc/19/99/94/658199994.db2.gz WQIFSRJOQCRMNA-LBPRGKRZSA-N 2 1 283.372 -0.845 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](N3CCCC3=O)C2)C1 ZINC000923311560 658203693 /nfs/dbraw/zinc/20/36/93/658203693.db2.gz OLCJXHQLXYSKKW-RNJOBUHISA-N 2 1 267.373 -0.076 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923322796 658211174 /nfs/dbraw/zinc/21/11/74/658211174.db2.gz ODZBTPGQAYJURX-UNQGMJICSA-N 3 1 285.432 -0.138 20 0 CBADMP COCC[NH+]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923318952 658212026 /nfs/dbraw/zinc/21/20/26/658212026.db2.gz JUKCCIWGUMTWJE-ZDUSSCGKSA-N 2 1 269.389 -0.371 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H](CN3CCOCC3)C2)C1 ZINC000923325296 658214698 /nfs/dbraw/zinc/21/46/98/658214698.db2.gz SYAAYKTXQJPBAH-RFGFWPKPSA-N 2 1 269.389 -0.509 20 0 CBADMP CCC[C@@H]1C[NH2+]CCN1C[C@@H](O)C[N@@H+](C)CCOC ZINC000923330408 658217109 /nfs/dbraw/zinc/21/71/09/658217109.db2.gz DWBVVLJGTHLBMR-KGLIPLIRSA-N 2 1 273.421 -0.001 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)C1=O ZINC000923327540 658217319 /nfs/dbraw/zinc/21/73/19/658217319.db2.gz MZIAOQZSSYGMRP-UHFFFAOYSA-N 2 1 280.372 -0.044 20 0 CBADMP O[C@@H](Cn1cccn1)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923359003 658228639 /nfs/dbraw/zinc/22/86/39/658228639.db2.gz NVMRXHCORWOFSW-UPJWGTAASA-N 2 1 250.346 -0.072 20 0 CBADMP C[N@@H+](C[C@@H](O)COC[C@@H]1CCCO1)C1CC([NH3+])C1 ZINC000923363664 658234219 /nfs/dbraw/zinc/23/42/19/658234219.db2.gz XINMYCFVTBONLB-TUUUFIMRSA-N 2 1 258.362 -0.036 20 0 CBADMP CN1CC(=O)N(CC[NH2+][C@H](C[NH3+])C(C)(C)C)C1=O ZINC000923368492 658234432 /nfs/dbraw/zinc/23/44/32/658234432.db2.gz QGFGJOYAWQFHHP-SECBINFHSA-N 2 1 256.350 -0.157 20 0 CBADMP O[C@@H]1C[C@H]2CN(C[C@H]3CC4(C[NH2+]C4)CO3)CC[N@H+]2C1 ZINC000923390729 658249918 /nfs/dbraw/zinc/24/99/18/658249918.db2.gz VMBHHPBKDNCHCD-YNEHKIRRSA-N 2 1 267.373 -0.884 20 0 CBADMP CCO[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C[NH3+] ZINC000923389869 658251246 /nfs/dbraw/zinc/25/12/46/658251246.db2.gz ZLICYZXQCYRNRW-JHJVBQTASA-N 2 1 268.361 -0.460 20 0 CBADMP O=C1OCCN1[C@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923392402 658253205 /nfs/dbraw/zinc/25/32/05/658253205.db2.gz RIPIOIYHROMDIA-NWDGAFQWSA-N 2 1 281.356 -0.109 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC2CC1(C[NH3+])C2 ZINC000923392321 658253954 /nfs/dbraw/zinc/25/39/54/658253954.db2.gz VJYGOSMAZHYBAR-OTTFEQOBSA-N 2 1 257.378 -0.651 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923398060 658254500 /nfs/dbraw/zinc/25/45/00/658254500.db2.gz JQBKGNZWGCESKQ-IHRRRGAJSA-N 2 1 271.405 -0.261 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)C[C@H]1C[NH3+] ZINC000923411128 658267161 /nfs/dbraw/zinc/26/71/61/658267161.db2.gz LQHQVKUHPUDZNY-NXEZZACHSA-N 2 1 254.334 -0.593 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413868 658271177 /nfs/dbraw/zinc/27/11/77/658271177.db2.gz JBWFIVRWCSVRIR-ZDCRXTMVSA-N 2 1 255.318 -0.766 20 0 CBADMP CN1CC(=O)N(CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1=O ZINC000923413910 658271247 /nfs/dbraw/zinc/27/12/47/658271247.db2.gz JWLZNSWSUBWCOX-NEPJUHHUSA-N 2 1 280.372 -0.046 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1=O ZINC000923413910 658271254 /nfs/dbraw/zinc/27/12/54/658271254.db2.gz JWLZNSWSUBWCOX-NEPJUHHUSA-N 2 1 280.372 -0.046 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419484 658271742 /nfs/dbraw/zinc/27/17/42/658271742.db2.gz AVYCKABTUPJHTN-IJLUTSLNSA-N 2 1 259.394 -0.359 20 0 CBADMP CC(C)(C)CNC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460053 658289913 /nfs/dbraw/zinc/28/99/13/658289913.db2.gz LAJKLPSFDYXOEW-UHFFFAOYSA-N 2 1 256.394 -0.357 20 0 CBADMP CC(C)NC(=O)NC(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462872 658291113 /nfs/dbraw/zinc/29/11/13/658291113.db2.gz CMWBGAMOVPNOGN-NSHDSACASA-N 2 1 285.392 -0.896 20 0 CBADMP Cc1cc(NC(=O)CN2CC[NH2+]CC[NH2+]CC2)on1 ZINC000923464022 658295114 /nfs/dbraw/zinc/29/51/14/658295114.db2.gz JLGIVEGTSANCIV-UHFFFAOYSA-N 2 1 267.333 -0.584 20 0 CBADMP CCN(CC)C(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465179 658295242 /nfs/dbraw/zinc/29/52/42/658295242.db2.gz WINPFIFDJQFQST-LBPRGKRZSA-N 2 1 256.394 -0.262 20 0 CBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCc1ccccc1F ZINC000923463955 658295334 /nfs/dbraw/zinc/29/53/34/658295334.db2.gz JHERFBJCERSXRJ-UHFFFAOYSA-N 2 1 294.374 -0.063 20 0 CBADMP CC[C@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923464331 658296826 /nfs/dbraw/zinc/29/68/26/658296826.db2.gz MYQHZCUTRNZBMM-RYUDHWBXSA-N 2 1 256.394 -0.216 20 0 CBADMP [NH3+][C@@]1(CO)CCCN(CCC[NH+]2CCOCC2)C1 ZINC000923480257 658303192 /nfs/dbraw/zinc/30/31/92/658303192.db2.gz ZYFJASIHQLATOK-ZDUSSCGKSA-N 2 1 257.378 -0.506 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491497 658307819 /nfs/dbraw/zinc/30/78/19/658307819.db2.gz IERXAUYEFCFYLF-RDBSUJKOSA-N 2 1 273.421 -0.158 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500240 658308443 /nfs/dbraw/zinc/30/84/43/658308443.db2.gz VWVWVCANGSITGL-UWVGGRQHSA-N 2 1 256.350 -0.251 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923501036 658309851 /nfs/dbraw/zinc/30/98/51/658309851.db2.gz YSTCQFISKABHRX-WDEREUQCSA-N 2 1 263.407 -0.158 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923515714 658312384 /nfs/dbraw/zinc/31/23/84/658312384.db2.gz FDXZOTPHALNZGC-IJLUTSLNSA-N 2 1 283.372 -0.323 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518910 658313172 /nfs/dbraw/zinc/31/31/72/658313172.db2.gz GGDQKUDSTZUHOX-NWDGAFQWSA-N 2 1 283.372 -0.451 20 0 CBADMP COC(=O)[C@]12C[C@H]1CCCN2CCC(=O)N1CCNCC1 ZINC000923550336 658319301 /nfs/dbraw/zinc/31/93/01/658319301.db2.gz BKPSGULUWBIFQO-DOMZBBRYSA-N 2 1 295.383 -0.164 20 0 CBADMP O=C(N1CC[NH+](CCCO)CC1)C12CC[NH+](CC1)C2 ZINC000957343111 658475133 /nfs/dbraw/zinc/47/51/33/658475133.db2.gz WWBBQZBOSWYYKD-UHFFFAOYSA-N 2 1 267.373 -0.391 20 0 CBADMP O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC000958214929 658593991 /nfs/dbraw/zinc/59/39/91/658593991.db2.gz OSSVGURRCJMOGM-STQMWFEESA-N 2 1 297.399 -0.984 20 0 CBADMP CC[N@@H+](CCN1C(=O)N[C@@H](C[NH+](C)C)C1=O)C1CC1 ZINC000924575551 658613335 /nfs/dbraw/zinc/61/33/35/658613335.db2.gz XHKBYLSZJLECPW-NSHDSACASA-N 2 1 268.361 -0.047 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924576988 658614870 /nfs/dbraw/zinc/61/48/70/658614870.db2.gz CVENZYLKGYKUHK-VXGBXAGGSA-N 2 1 298.387 -0.421 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CN3C[C@@H]2CCC3)CC1 ZINC000924945623 658667877 /nfs/dbraw/zinc/66/78/77/658667877.db2.gz JANPMFQPENGAJN-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1C)CC2 ZINC000924982699 658696631 /nfs/dbraw/zinc/69/66/31/658696631.db2.gz XNORAIBDYXCGEX-XBFCOCLRSA-N 2 1 292.383 -0.065 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C)CC2 ZINC000924982699 658696640 /nfs/dbraw/zinc/69/66/40/658696640.db2.gz XNORAIBDYXCGEX-XBFCOCLRSA-N 2 1 292.383 -0.065 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@H]1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000924990493 658701067 /nfs/dbraw/zinc/70/10/67/658701067.db2.gz GVTKARSVFGUOBK-DYEKYZERSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@H]1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000924990493 658701084 /nfs/dbraw/zinc/70/10/84/658701084.db2.gz GVTKARSVFGUOBK-DYEKYZERSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@H]1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000924990493 658701112 /nfs/dbraw/zinc/70/11/12/658701112.db2.gz GVTKARSVFGUOBK-DYEKYZERSA-N 2 1 285.388 -0.986 20 0 CBADMP CC[N@H+]1CC[C@H]1CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000925098795 658806386 /nfs/dbraw/zinc/80/63/86/658806386.db2.gz VGCXNUMGXOULRB-VHSXEESVSA-N 2 1 254.334 -0.437 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC000961173168 658816164 /nfs/dbraw/zinc/81/61/64/658816164.db2.gz LQWAAGIDIPDDTC-NMKXLXIOSA-N 2 1 278.356 -0.381 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC000961173168 658816169 /nfs/dbraw/zinc/81/61/69/658816169.db2.gz LQWAAGIDIPDDTC-NMKXLXIOSA-N 2 1 278.356 -0.381 20 0 CBADMP C[C@H]1[C@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@@H+]1C ZINC000925348174 658832946 /nfs/dbraw/zinc/83/29/46/658832946.db2.gz JOPSYHUIKBXSTG-CYZMBNFOSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@H]1[C@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@H+]1C ZINC000925348174 658832948 /nfs/dbraw/zinc/83/29/48/658832948.db2.gz JOPSYHUIKBXSTG-CYZMBNFOSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@H]1[C@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000925348174 658832952 /nfs/dbraw/zinc/83/29/52/658832952.db2.gz JOPSYHUIKBXSTG-CYZMBNFOSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@H]1[C@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000925348174 658832959 /nfs/dbraw/zinc/83/29/59/658832959.db2.gz JOPSYHUIKBXSTG-CYZMBNFOSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000961767859 658833258 /nfs/dbraw/zinc/83/32/58/658833258.db2.gz AHIPXPJWILFBTP-KZWBYHQPSA-N 2 1 280.372 -0.998 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000961767859 658833260 /nfs/dbraw/zinc/83/32/60/658833260.db2.gz AHIPXPJWILFBTP-KZWBYHQPSA-N 2 1 280.372 -0.998 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000961767859 658833265 /nfs/dbraw/zinc/83/32/65/658833265.db2.gz AHIPXPJWILFBTP-KZWBYHQPSA-N 2 1 280.372 -0.998 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000961767859 658833269 /nfs/dbraw/zinc/83/32/69/658833269.db2.gz AHIPXPJWILFBTP-KZWBYHQPSA-N 2 1 280.372 -0.998 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000961768535 658833847 /nfs/dbraw/zinc/83/38/47/658833847.db2.gz BXSVBKPMYRDOLG-NMKXLXIOSA-N 2 1 267.373 -0.491 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000961768535 658833849 /nfs/dbraw/zinc/83/38/49/658833849.db2.gz BXSVBKPMYRDOLG-NMKXLXIOSA-N 2 1 267.373 -0.491 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000961768535 658833850 /nfs/dbraw/zinc/83/38/50/658833850.db2.gz BXSVBKPMYRDOLG-NMKXLXIOSA-N 2 1 267.373 -0.491 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[C@H](O)C[NH+]2C)CC[N@H+]1C ZINC000925357661 658835442 /nfs/dbraw/zinc/83/54/42/658835442.db2.gz WYNRNWIAUNISPY-NOOOWODRSA-N 2 1 270.377 -0.557 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2C)CC[NH+]1C ZINC000925357661 658835448 /nfs/dbraw/zinc/83/54/48/658835448.db2.gz WYNRNWIAUNISPY-NOOOWODRSA-N 2 1 270.377 -0.557 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2C)CC[NH+]1C ZINC000925357661 658835452 /nfs/dbraw/zinc/83/54/52/658835452.db2.gz WYNRNWIAUNISPY-NOOOWODRSA-N 2 1 270.377 -0.557 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000925396598 658838139 /nfs/dbraw/zinc/83/81/39/658838139.db2.gz AQXHEQPWGUOBKR-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+](C)C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C)CCO1 ZINC000925405351 658838809 /nfs/dbraw/zinc/83/88/09/658838809.db2.gz FWGVVLRSUXKEJJ-NEPJUHHUSA-N 2 1 270.377 -0.338 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000925412946 658841813 /nfs/dbraw/zinc/84/18/13/658841813.db2.gz DXGXYTQZXWHHOX-JQWIXIFHSA-N 2 1 256.350 -0.944 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000925412946 658841808 /nfs/dbraw/zinc/84/18/08/658841808.db2.gz DXGXYTQZXWHHOX-JQWIXIFHSA-N 2 1 256.350 -0.944 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000925412946 658841815 /nfs/dbraw/zinc/84/18/15/658841815.db2.gz DXGXYTQZXWHHOX-JQWIXIFHSA-N 2 1 256.350 -0.944 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000925424508 658846529 /nfs/dbraw/zinc/84/65/29/658846529.db2.gz MGCKHMRJDDZEHS-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000925424508 658846531 /nfs/dbraw/zinc/84/65/31/658846531.db2.gz MGCKHMRJDDZEHS-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000925424508 658846535 /nfs/dbraw/zinc/84/65/35/658846535.db2.gz MGCKHMRJDDZEHS-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@@H](O)C1 ZINC000925425124 658848082 /nfs/dbraw/zinc/84/80/82/658848082.db2.gz DFGRGQLTNFXVJO-SYQHCUMBSA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000925425124 658848085 /nfs/dbraw/zinc/84/80/85/658848085.db2.gz DFGRGQLTNFXVJO-SYQHCUMBSA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000925425124 658848089 /nfs/dbraw/zinc/84/80/89/658848089.db2.gz DFGRGQLTNFXVJO-SYQHCUMBSA-N 2 1 296.415 -0.023 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962297584 658850382 /nfs/dbraw/zinc/85/03/82/658850382.db2.gz MXSXNVZGVYVMQJ-GDNZZTSVSA-N 2 1 265.357 -0.879 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+](C)C1 ZINC000925432461 658850789 /nfs/dbraw/zinc/85/07/89/658850789.db2.gz SPLAIBYBIIFOQA-VXGBXAGGSA-N 2 1 298.387 -0.563 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+](C)C1 ZINC000925432461 658850791 /nfs/dbraw/zinc/85/07/91/658850791.db2.gz SPLAIBYBIIFOQA-VXGBXAGGSA-N 2 1 298.387 -0.563 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C)CC[NH+](C)C1 ZINC000925432461 658850795 /nfs/dbraw/zinc/85/07/95/658850795.db2.gz SPLAIBYBIIFOQA-VXGBXAGGSA-N 2 1 298.387 -0.563 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C)CC[N@@H+](C)C1 ZINC000925432457 658851514 /nfs/dbraw/zinc/85/15/14/658851514.db2.gz SPLAIBYBIIFOQA-NEPJUHHUSA-N 2 1 298.387 -0.563 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC[NH+](C)C1 ZINC000925432457 658851517 /nfs/dbraw/zinc/85/15/17/658851517.db2.gz SPLAIBYBIIFOQA-NEPJUHHUSA-N 2 1 298.387 -0.563 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)CC[NH+](C)C1 ZINC000925432457 658851520 /nfs/dbraw/zinc/85/15/20/658851520.db2.gz SPLAIBYBIIFOQA-NEPJUHHUSA-N 2 1 298.387 -0.563 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@H]1C[C@@H](O)C[NH+]1C ZINC000925431190 658851538 /nfs/dbraw/zinc/85/15/38/658851538.db2.gz FAYBYFBCEBHNER-GMTAPVOTSA-N 2 1 256.350 -0.945 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000925431190 658851542 /nfs/dbraw/zinc/85/15/42/658851542.db2.gz FAYBYFBCEBHNER-GMTAPVOTSA-N 2 1 256.350 -0.945 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1C ZINC000925431190 658851543 /nfs/dbraw/zinc/85/15/43/658851543.db2.gz FAYBYFBCEBHNER-GMTAPVOTSA-N 2 1 256.350 -0.945 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC000962581152 658858013 /nfs/dbraw/zinc/85/80/13/658858013.db2.gz WORNPSJTRWTTDC-PQFRYHKHSA-N 2 1 278.356 -0.381 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC000962581152 658858018 /nfs/dbraw/zinc/85/80/18/658858018.db2.gz WORNPSJTRWTTDC-PQFRYHKHSA-N 2 1 278.356 -0.381 20 0 CBADMP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)Cn1ccnn1 ZINC000925686779 658865648 /nfs/dbraw/zinc/86/56/48/658865648.db2.gz WHKHJICGCBDABY-NWDGAFQWSA-N 2 1 265.361 -0.097 20 0 CBADMP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)Cn1ccnn1 ZINC000925685799 658865843 /nfs/dbraw/zinc/86/58/43/658865843.db2.gz NIOICCNUUHETON-WDEREUQCSA-N 2 1 251.334 -0.487 20 0 CBADMP [NH3+][C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C12CCC2 ZINC000925693775 658865942 /nfs/dbraw/zinc/86/59/42/658865942.db2.gz RQQKDUFNBIIJEM-WDEREUQCSA-N 3 1 252.362 -0.722 20 0 CBADMP COC(=O)CCNC(=O)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925717087 658866864 /nfs/dbraw/zinc/86/68/64/658866864.db2.gz IMLARBUGGLEWCM-LYEQHPFYSA-N 2 1 295.383 -0.358 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925724670 658867821 /nfs/dbraw/zinc/86/78/21/658867821.db2.gz LMTMDNYEAJJBNJ-RYUDHWBXSA-N 2 1 257.378 -0.590 20 0 CBADMP COC(=O)CCNC(=O)CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925720146 658868218 /nfs/dbraw/zinc/86/82/18/658868218.db2.gz XBLPWCVXKYGKPA-QWRGUYRKSA-N 2 1 271.361 -0.214 20 0 CBADMP C([NH2+][C@@H]1CNCCOC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000925732515 658869143 /nfs/dbraw/zinc/86/91/43/658869143.db2.gz YKFDMRKEGDBIGD-CHWSQXEVSA-N 2 1 269.389 -0.277 20 0 CBADMP CC(C)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)CS(N)(=O)=O ZINC000925727766 658869209 /nfs/dbraw/zinc/86/92/09/658869209.db2.gz ROLKAKFMOUGYQQ-RNWYCLNJSA-N 2 1 287.429 -0.113 20 0 CBADMP CN(C)S(=O)(=O)C1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000925776320 658871220 /nfs/dbraw/zinc/87/12/20/658871220.db2.gz WUBHUTJRSZADOQ-VHSXEESVSA-N 2 1 261.391 -0.120 20 0 CBADMP C[C@@H](CC(N)=O)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925793470 658872768 /nfs/dbraw/zinc/87/27/68/658872768.db2.gz IKGSYLATZGOXQU-QWRGUYRKSA-N 2 1 255.362 -0.001 20 0 CBADMP C[C@H](CC(N)=O)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925793458 658872893 /nfs/dbraw/zinc/87/28/93/658872893.db2.gz IKGSYLATZGOXQU-GHMZBOCLSA-N 2 1 255.362 -0.001 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@@H]1C ZINC000926344985 658895618 /nfs/dbraw/zinc/89/56/18/658895618.db2.gz AMCCNOARBKPXCY-MROQNXINSA-N 2 1 296.415 -0.267 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@@H]1C ZINC000926344985 658895620 /nfs/dbraw/zinc/89/56/20/658895620.db2.gz AMCCNOARBKPXCY-MROQNXINSA-N 2 1 296.415 -0.267 20 0 CBADMP 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 658895974 /nfs/dbraw/zinc/89/59/74/658895974.db2.gz KYWYUHYIOTYPAS-FDYHWXHSSA-N 2 1 296.415 -0.409 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@H]1C ZINC000926344983 658896023 /nfs/dbraw/zinc/89/60/23/658896023.db2.gz AMCCNOARBKPXCY-FVCCEPFGSA-N 2 1 296.415 -0.267 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@H]1C ZINC000926344983 658896026 /nfs/dbraw/zinc/89/60/26/658896026.db2.gz AMCCNOARBKPXCY-FVCCEPFGSA-N 2 1 296.415 -0.267 20 0 CBADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000926650402 658910421 /nfs/dbraw/zinc/91/04/21/658910421.db2.gz NXYNGJUDAFMBSR-DAAZQVBGSA-N 2 1 287.429 -0.050 20 0 CBADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CC[C@H](O)C1 ZINC000926773401 658913977 /nfs/dbraw/zinc/91/39/77/658913977.db2.gz ABEDCRXLHRJKMB-WJLOJVBCSA-N 2 1 253.390 -0.017 20 0 CBADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCC[NH+]1CC[C@H](O)C1 ZINC000926773401 658913980 /nfs/dbraw/zinc/91/39/80/658913980.db2.gz ABEDCRXLHRJKMB-WJLOJVBCSA-N 2 1 253.390 -0.017 20 0 CBADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCC[NH+]1CC[C@H](O)C1 ZINC000926773401 658913981 /nfs/dbraw/zinc/91/39/81/658913981.db2.gz ABEDCRXLHRJKMB-WJLOJVBCSA-N 2 1 253.390 -0.017 20 0 CBADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2NCC[N@@H+]1CC[C@H](O)C1 ZINC000926773401 658913983 /nfs/dbraw/zinc/91/39/83/658913983.db2.gz ABEDCRXLHRJKMB-WJLOJVBCSA-N 2 1 253.390 -0.017 20 0 CBADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2NCC[N@H+]1CC[C@H](O)C1 ZINC000926773401 658913986 /nfs/dbraw/zinc/91/39/86/658913986.db2.gz ABEDCRXLHRJKMB-WJLOJVBCSA-N 2 1 253.390 -0.017 20 0 CBADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968912491 658944890 /nfs/dbraw/zinc/94/48/90/658944890.db2.gz IQXIGNIBHSTWGI-NEPJUHHUSA-N 2 1 278.356 -0.057 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000969954164 659025196 /nfs/dbraw/zinc/02/51/96/659025196.db2.gz ANMTZCPELHPEKJ-WDEREUQCSA-N 2 1 268.361 -0.996 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000969950443 659025389 /nfs/dbraw/zinc/02/53/89/659025389.db2.gz IEAUDZSGOPOCLK-GHMZBOCLSA-N 2 1 268.361 -0.854 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928559534 659041775 /nfs/dbraw/zinc/04/17/75/659041775.db2.gz ZLKKVGGVMKSWBY-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCN(CC(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000928562492 659047167 /nfs/dbraw/zinc/04/71/67/659047167.db2.gz GRGVPSVQYWBHDK-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000971686656 659095730 /nfs/dbraw/zinc/09/57/30/659095730.db2.gz DFZTVTWQBNBXNQ-AAEUAGOBSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971686656 659095736 /nfs/dbraw/zinc/09/57/36/659095736.db2.gz DFZTVTWQBNBXNQ-AAEUAGOBSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971686656 659095742 /nfs/dbraw/zinc/09/57/42/659095742.db2.gz DFZTVTWQBNBXNQ-AAEUAGOBSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC000972326575 659115145 /nfs/dbraw/zinc/11/51/45/659115145.db2.gz MCDZVKASAAFPTL-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC000972326575 659115148 /nfs/dbraw/zinc/11/51/48/659115148.db2.gz MCDZVKASAAFPTL-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000972326575 659115154 /nfs/dbraw/zinc/11/51/54/659115154.db2.gz MCDZVKASAAFPTL-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000972326575 659115159 /nfs/dbraw/zinc/11/51/59/659115159.db2.gz MCDZVKASAAFPTL-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972552864 659119721 /nfs/dbraw/zinc/11/97/21/659119721.db2.gz UUTSDKIECSBRMO-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972552864 659119731 /nfs/dbraw/zinc/11/97/31/659119731.db2.gz UUTSDKIECSBRMO-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929428051 659124285 /nfs/dbraw/zinc/12/42/85/659124285.db2.gz PNRWLRBTPOKIII-SOUVJXGZSA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H](O)CO)CC1 ZINC000929427053 659124466 /nfs/dbraw/zinc/12/44/66/659124466.db2.gz PNRWLRBTPOKIII-ZNMIVQPWSA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H](O)CO)CC1 ZINC000929427053 659124469 /nfs/dbraw/zinc/12/44/69/659124469.db2.gz PNRWLRBTPOKIII-ZNMIVQPWSA-N 2 1 285.432 -0.170 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000929567950 659142192 /nfs/dbraw/zinc/14/21/92/659142192.db2.gz NINMPOPIHWJCAT-AGIUHOORSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000929567950 659142196 /nfs/dbraw/zinc/14/21/96/659142196.db2.gz NINMPOPIHWJCAT-AGIUHOORSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000929567950 659142199 /nfs/dbraw/zinc/14/21/99/659142199.db2.gz NINMPOPIHWJCAT-AGIUHOORSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000929567950 659142202 /nfs/dbraw/zinc/14/22/02/659142202.db2.gz NINMPOPIHWJCAT-AGIUHOORSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000929567952 659142731 /nfs/dbraw/zinc/14/27/31/659142731.db2.gz NINMPOPIHWJCAT-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000929567952 659142736 /nfs/dbraw/zinc/14/27/36/659142736.db2.gz NINMPOPIHWJCAT-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000929567952 659142741 /nfs/dbraw/zinc/14/27/41/659142741.db2.gz NINMPOPIHWJCAT-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000929567952 659142746 /nfs/dbraw/zinc/14/27/46/659142746.db2.gz NINMPOPIHWJCAT-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000929929755 659186600 /nfs/dbraw/zinc/18/66/00/659186600.db2.gz QZSDZEYLIFEDCJ-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000929929755 659186602 /nfs/dbraw/zinc/18/66/02/659186602.db2.gz QZSDZEYLIFEDCJ-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000929929755 659186605 /nfs/dbraw/zinc/18/66/05/659186605.db2.gz QZSDZEYLIFEDCJ-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000929929755 659186611 /nfs/dbraw/zinc/18/66/11/659186611.db2.gz QZSDZEYLIFEDCJ-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000929956872 659187855 /nfs/dbraw/zinc/18/78/55/659187855.db2.gz WACLRHJXJZTHAP-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000929956872 659187865 /nfs/dbraw/zinc/18/78/65/659187865.db2.gz WACLRHJXJZTHAP-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000929956872 659187871 /nfs/dbraw/zinc/18/78/71/659187871.db2.gz WACLRHJXJZTHAP-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000929956872 659187875 /nfs/dbraw/zinc/18/78/75/659187875.db2.gz WACLRHJXJZTHAP-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](O)CO)CC2)CC1 ZINC000930044886 659200411 /nfs/dbraw/zinc/20/04/11/659200411.db2.gz KRDZTRPLHPQMMF-OAHLLOKOSA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@H](O)[C@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930136963 659217341 /nfs/dbraw/zinc/21/73/41/659217341.db2.gz PXFASIQTHJUFAS-LXTVHRRPSA-N 2 1 285.432 -0.314 20 0 CBADMP O=C([C@@H]1C[NH+]2CCC[C@H]2CO1)N1CCC[N@H+](CCO)CC1 ZINC000981208692 659310714 /nfs/dbraw/zinc/31/07/14/659310714.db2.gz BOKBUZLGUFSEIJ-KBPBESRZSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[NH+](CCO)CC1 ZINC000981208692 659310715 /nfs/dbraw/zinc/31/07/15/659310715.db2.gz BOKBUZLGUFSEIJ-KBPBESRZSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[NH+](CCO)CC1 ZINC000981208692 659310719 /nfs/dbraw/zinc/31/07/19/659310719.db2.gz BOKBUZLGUFSEIJ-KBPBESRZSA-N 2 1 297.399 -0.624 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000930675400 659320445 /nfs/dbraw/zinc/32/04/45/659320445.db2.gz OPEIOGVWVBGXMD-UONOGXRCSA-N 2 1 271.405 -0.559 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[N@H+](CCO)CC1 ZINC000981626572 659324539 /nfs/dbraw/zinc/32/45/39/659324539.db2.gz RUPWDMASBKCNMP-UHFFFAOYSA-N 2 1 266.345 -0.282 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[N@@H+](CCO)CC1 ZINC000981626572 659324547 /nfs/dbraw/zinc/32/45/47/659324547.db2.gz RUPWDMASBKCNMP-UHFFFAOYSA-N 2 1 266.345 -0.282 20 0 CBADMP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)[C@@H](C)C[N@H+]1CCO ZINC000930744345 659334398 /nfs/dbraw/zinc/33/43/98/659334398.db2.gz VQLNOQCPMNOYIQ-ILXRZTDVSA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC[NH+](CCO)CC1 ZINC000981958585 659336642 /nfs/dbraw/zinc/33/66/42/659336642.db2.gz GAUHXXOVIJLLNY-CHWSQXEVSA-N 2 1 269.389 -0.289 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@H+](CCO)CC1 ZINC000981958585 659336646 /nfs/dbraw/zinc/33/66/46/659336646.db2.gz GAUHXXOVIJLLNY-CHWSQXEVSA-N 2 1 269.389 -0.289 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@@H+](CCO)CC1 ZINC000981958585 659336652 /nfs/dbraw/zinc/33/66/52/659336652.db2.gz GAUHXXOVIJLLNY-CHWSQXEVSA-N 2 1 269.389 -0.289 20 0 CBADMP C[N@H+](CCCCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)C1CC1 ZINC000930807240 659342726 /nfs/dbraw/zinc/34/27/26/659342726.db2.gz MULFAHLVSWLISL-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)C1CC1 ZINC000930807240 659342734 /nfs/dbraw/zinc/34/27/34/659342734.db2.gz MULFAHLVSWLISL-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)C1CC1 ZINC000930807240 659342745 /nfs/dbraw/zinc/34/27/45/659342745.db2.gz MULFAHLVSWLISL-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C1CC1 ZINC000930807240 659342749 /nfs/dbraw/zinc/34/27/49/659342749.db2.gz MULFAHLVSWLISL-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CCC[N@@H+](CCCO)CC1 ZINC000982215109 659342880 /nfs/dbraw/zinc/34/28/80/659342880.db2.gz OCEFIVRZLWPFDN-UHFFFAOYSA-N 2 1 299.415 -0.375 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CCC[N@H+](CCCO)CC1 ZINC000982215109 659342892 /nfs/dbraw/zinc/34/28/92/659342892.db2.gz OCEFIVRZLWPFDN-UHFFFAOYSA-N 2 1 299.415 -0.375 20 0 CBADMP C[C@@H](O)[C@@H](O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823714 659344201 /nfs/dbraw/zinc/34/42/01/659344201.db2.gz TUPNFTMVZZQTMC-NEPJUHHUSA-N 2 1 258.362 -0.475 20 0 CBADMP C[C@H](O)[C@@H](O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823716 659345686 /nfs/dbraw/zinc/34/56/86/659345686.db2.gz TUPNFTMVZZQTMC-RYUDHWBXSA-N 2 1 258.362 -0.475 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000930829539 659346522 /nfs/dbraw/zinc/34/65/22/659346522.db2.gz WVIUVQVSMDKSRI-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000930829539 659346531 /nfs/dbraw/zinc/34/65/31/659346531.db2.gz WVIUVQVSMDKSRI-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000930829539 659346541 /nfs/dbraw/zinc/34/65/41/659346541.db2.gz WVIUVQVSMDKSRI-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000930829539 659346553 /nfs/dbraw/zinc/34/65/53/659346553.db2.gz WVIUVQVSMDKSRI-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)C1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000930883392 659358206 /nfs/dbraw/zinc/35/82/06/659358206.db2.gz XSJCDDAZNFDHRU-BPCQOVAHSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)C1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000930883392 659358209 /nfs/dbraw/zinc/35/82/09/659358209.db2.gz XSJCDDAZNFDHRU-BPCQOVAHSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000985327976 659381069 /nfs/dbraw/zinc/38/10/69/659381069.db2.gz OXWANYYPBVQJTN-LBPRGKRZSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000985327976 659381079 /nfs/dbraw/zinc/38/10/79/659381079.db2.gz OXWANYYPBVQJTN-LBPRGKRZSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000985327976 659381087 /nfs/dbraw/zinc/38/10/87/659381087.db2.gz OXWANYYPBVQJTN-LBPRGKRZSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CC(N)=O)CC2)CC[N@H+]1C ZINC000985442755 659386015 /nfs/dbraw/zinc/38/60/15/659386015.db2.gz QWPCWCXRBANDAE-DGCLKSJQSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)CC(N)=O)CC2)CC[NH+]1C ZINC000985442755 659386019 /nfs/dbraw/zinc/38/60/19/659386019.db2.gz QWPCWCXRBANDAE-DGCLKSJQSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)CC(N)=O)CC2)CC[NH+]1C ZINC000985442755 659386022 /nfs/dbraw/zinc/38/60/22/659386022.db2.gz QWPCWCXRBANDAE-DGCLKSJQSA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1CCC([N@@H+](C)CC(N)=O)CC1)C1CC1 ZINC000985470906 659386820 /nfs/dbraw/zinc/38/68/20/659386820.db2.gz QXMRENXGVLWRDR-AWEZNQCLSA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1CCC([N@@H+](C)CC(N)=O)CC1)C1CC1 ZINC000985470915 659386891 /nfs/dbraw/zinc/38/68/91/659386891.db2.gz QXMRENXGVLWRDR-CQSZACIVSA-N 2 1 296.415 -0.265 20 0 CBADMP C[N@@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000985498514 659387824 /nfs/dbraw/zinc/38/78/24/659387824.db2.gz LFTSFFAJBSHPEV-ZDUSSCGKSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000985498514 659387827 /nfs/dbraw/zinc/38/78/27/659387827.db2.gz LFTSFFAJBSHPEV-ZDUSSCGKSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000985498514 659387830 /nfs/dbraw/zinc/38/78/30/659387830.db2.gz LFTSFFAJBSHPEV-ZDUSSCGKSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@@H+](CC(N)=O)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000985615113 659392625 /nfs/dbraw/zinc/39/26/25/659392625.db2.gz USPLQQKXIRRRIV-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+](CC(N)=O)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000985755220 659396878 /nfs/dbraw/zinc/39/68/78/659396878.db2.gz GFQYVEPXCJIBFJ-UHFFFAOYSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@@H+](CC(N)=O)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000985751534 659398084 /nfs/dbraw/zinc/39/80/84/659398084.db2.gz NUHRSNSITNUNSO-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985751534 659398092 /nfs/dbraw/zinc/39/80/92/659398092.db2.gz NUHRSNSITNUNSO-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985751534 659398099 /nfs/dbraw/zinc/39/80/99/659398099.db2.gz NUHRSNSITNUNSO-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000985794198 659399792 /nfs/dbraw/zinc/39/97/92/659399792.db2.gz ZROWHIOJNKJPAK-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985794198 659399799 /nfs/dbraw/zinc/39/97/99/659399799.db2.gz ZROWHIOJNKJPAK-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985794198 659399807 /nfs/dbraw/zinc/39/98/07/659399807.db2.gz ZROWHIOJNKJPAK-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931307947 659427135 /nfs/dbraw/zinc/42/71/35/659427135.db2.gz QDNUZXTYOJWBHM-HUUCEWRRSA-N 2 1 297.399 -0.061 20 0 CBADMP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000986459994 659453061 /nfs/dbraw/zinc/45/30/61/659453061.db2.gz DPPKUSXDBFBBNI-ZYHUDNBSSA-N 2 1 296.371 -0.079 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CCO)[C@H]1C ZINC000986576201 659458650 /nfs/dbraw/zinc/45/86/50/659458650.db2.gz RVFWKSOEOUXYMH-NEPJUHHUSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H]1C ZINC000986572404 659458774 /nfs/dbraw/zinc/45/87/74/659458774.db2.gz IYLMYMMBPGJBPJ-GHMZBOCLSA-N 2 1 279.344 -0.744 20 0 CBADMP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000986959301 659485256 /nfs/dbraw/zinc/48/52/56/659485256.db2.gz PBSNYPYSXSMDIV-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP CN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000931874747 659533915 /nfs/dbraw/zinc/53/39/15/659533915.db2.gz POTKUUYAXZGFDH-QWHCGFSZSA-N 2 1 294.399 -0.498 20 0 CBADMP CN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000931874747 659533924 /nfs/dbraw/zinc/53/39/24/659533924.db2.gz POTKUUYAXZGFDH-QWHCGFSZSA-N 2 1 294.399 -0.498 20 0 CBADMP CN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000931874747 659533934 /nfs/dbraw/zinc/53/39/34/659533934.db2.gz POTKUUYAXZGFDH-QWHCGFSZSA-N 2 1 294.399 -0.498 20 0 CBADMP CN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000931874747 659533945 /nfs/dbraw/zinc/53/39/45/659533945.db2.gz POTKUUYAXZGFDH-QWHCGFSZSA-N 2 1 294.399 -0.498 20 0 CBADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)CC1 ZINC000931879710 659540026 /nfs/dbraw/zinc/54/00/26/659540026.db2.gz NCHUWCNHHFDNAL-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)CC1 ZINC000931879710 659540032 /nfs/dbraw/zinc/54/00/32/659540032.db2.gz NCHUWCNHHFDNAL-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000931879710 659540040 /nfs/dbraw/zinc/54/00/40/659540040.db2.gz NCHUWCNHHFDNAL-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000931879710 659540044 /nfs/dbraw/zinc/54/00/44/659540044.db2.gz NCHUWCNHHFDNAL-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931882197 659544333 /nfs/dbraw/zinc/54/43/33/659544333.db2.gz KBSQPVJAVRWUQJ-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931882197 659544338 /nfs/dbraw/zinc/54/43/38/659544338.db2.gz KBSQPVJAVRWUQJ-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931886746 659551648 /nfs/dbraw/zinc/55/16/48/659551648.db2.gz PNMUEKGJPSESFU-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931886746 659551654 /nfs/dbraw/zinc/55/16/54/659551654.db2.gz PNMUEKGJPSESFU-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931886746 659551663 /nfs/dbraw/zinc/55/16/63/659551663.db2.gz PNMUEKGJPSESFU-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931886746 659551674 /nfs/dbraw/zinc/55/16/74/659551674.db2.gz PNMUEKGJPSESFU-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000931886526 659551827 /nfs/dbraw/zinc/55/18/27/659551827.db2.gz OYSCWBOCFOBGGT-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000931886526 659551834 /nfs/dbraw/zinc/55/18/34/659551834.db2.gz OYSCWBOCFOBGGT-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000931886526 659551845 /nfs/dbraw/zinc/55/18/45/659551845.db2.gz OYSCWBOCFOBGGT-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000931886526 659551853 /nfs/dbraw/zinc/55/18/53/659551853.db2.gz OYSCWBOCFOBGGT-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP CCCN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@H]1CC[N@H+](C)C1 ZINC000931887865 659554760 /nfs/dbraw/zinc/55/47/60/659554760.db2.gz XZDNXOFLRFJGBZ-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCCN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@H]1CC[N@@H+](C)C1 ZINC000931887865 659554765 /nfs/dbraw/zinc/55/47/65/659554765.db2.gz XZDNXOFLRFJGBZ-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCCN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000931887865 659554769 /nfs/dbraw/zinc/55/47/69/659554769.db2.gz XZDNXOFLRFJGBZ-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCCN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000931887865 659554776 /nfs/dbraw/zinc/55/47/76/659554776.db2.gz XZDNXOFLRFJGBZ-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000989079841 659569709 /nfs/dbraw/zinc/56/97/09/659569709.db2.gz YBBMBUZHXYTTEH-WDEREUQCSA-N 2 1 296.371 -0.079 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]CCO)C[C@H]1C ZINC000989174824 659574278 /nfs/dbraw/zinc/57/42/78/659574278.db2.gz BYKUUIIXKQFFGH-ZYHUDNBSSA-N 2 1 266.345 -0.237 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000989482427 659589450 /nfs/dbraw/zinc/58/94/50/659589450.db2.gz CJOXJJZJBYLCGS-CYBMUJFWSA-N 2 1 269.389 -0.145 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000989482427 659589452 /nfs/dbraw/zinc/58/94/52/659589452.db2.gz CJOXJJZJBYLCGS-CYBMUJFWSA-N 2 1 269.389 -0.145 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC000989482427 659589453 /nfs/dbraw/zinc/58/94/53/659589453.db2.gz CJOXJJZJBYLCGS-CYBMUJFWSA-N 2 1 269.389 -0.145 20 0 CBADMP CC[N@@H+](CCC(N)=O)CCC(=O)N1CCN(C)CC1 ZINC000932479320 659604295 /nfs/dbraw/zinc/60/42/95/659604295.db2.gz TXVPQBLMCLEDQR-UHFFFAOYSA-N 2 1 270.377 -0.652 20 0 CBADMP CC[N@H+](CCC(N)=O)CCC(=O)N1CC[NH+](C)CC1 ZINC000932479320 659604298 /nfs/dbraw/zinc/60/42/98/659604298.db2.gz TXVPQBLMCLEDQR-UHFFFAOYSA-N 2 1 270.377 -0.652 20 0 CBADMP CC[N@@H+](CCC(N)=O)CCC(=O)N1CC[NH+](C)CC1 ZINC000932479320 659604301 /nfs/dbraw/zinc/60/43/01/659604301.db2.gz TXVPQBLMCLEDQR-UHFFFAOYSA-N 2 1 270.377 -0.652 20 0 CBADMP C[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989661020 659605227 /nfs/dbraw/zinc/60/52/27/659605227.db2.gz FNLXIHSVAFQPJY-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989661020 659605234 /nfs/dbraw/zinc/60/52/34/659605234.db2.gz FNLXIHSVAFQPJY-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989661020 659605244 /nfs/dbraw/zinc/60/52/44/659605244.db2.gz FNLXIHSVAFQPJY-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CCC[N@H+](CCCO)CC1 ZINC000989670376 659605756 /nfs/dbraw/zinc/60/57/56/659605756.db2.gz VERMKJJTACTBKK-UHFFFAOYSA-N 2 1 269.389 -0.001 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989660948 659607080 /nfs/dbraw/zinc/60/70/80/659607080.db2.gz CYXXSWVTFIUYMG-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989660948 659607087 /nfs/dbraw/zinc/60/70/87/659607087.db2.gz CYXXSWVTFIUYMG-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989660948 659607091 /nfs/dbraw/zinc/60/70/91/659607091.db2.gz CYXXSWVTFIUYMG-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989660948 659607096 /nfs/dbraw/zinc/60/70/96/659607096.db2.gz CYXXSWVTFIUYMG-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](CCCO)CC2)C1 ZINC000989708438 659609897 /nfs/dbraw/zinc/60/98/97/659609897.db2.gz SSUWGWGMTQLRAY-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](CCCO)CC2)C1 ZINC000989708438 659609901 /nfs/dbraw/zinc/60/99/01/659609901.db2.gz SSUWGWGMTQLRAY-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](CCCO)CC2)C1 ZINC000989708438 659609904 /nfs/dbraw/zinc/60/99/04/659609904.db2.gz SSUWGWGMTQLRAY-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](CCCO)CC2)C1 ZINC000989708438 659609906 /nfs/dbraw/zinc/60/99/06/659609906.db2.gz SSUWGWGMTQLRAY-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC000989799545 659614853 /nfs/dbraw/zinc/61/48/53/659614853.db2.gz MWQHFVAOAVDYST-ONGXEEELSA-N 2 1 279.344 -0.744 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1N(CC(N)=O)CC2 ZINC000990025273 659647045 /nfs/dbraw/zinc/64/70/45/659647045.db2.gz IFFLUSMQYFPZOF-JMSVASOKSA-N 2 1 294.399 -0.321 20 0 CBADMP CN1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1N(CC(N)=O)CC2 ZINC000990025273 659647049 /nfs/dbraw/zinc/64/70/49/659647049.db2.gz IFFLUSMQYFPZOF-JMSVASOKSA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC000990245397 659705205 /nfs/dbraw/zinc/70/52/05/659705205.db2.gz WLHVBFNCOXCBPG-JQWIXIFHSA-N 2 1 282.388 -0.465 20 0 CBADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733469 659735416 /nfs/dbraw/zinc/73/54/16/659735416.db2.gz JXOAPCDVRUKZLX-MELADBBJSA-N 2 1 272.389 -0.106 20 0 CBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733469 659735418 /nfs/dbraw/zinc/73/54/18/659735418.db2.gz JXOAPCDVRUKZLX-MELADBBJSA-N 2 1 272.389 -0.106 20 0 CBADMP COCCOC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933733469 659735429 /nfs/dbraw/zinc/73/54/29/659735429.db2.gz JXOAPCDVRUKZLX-MELADBBJSA-N 2 1 272.389 -0.106 20 0 CBADMP COCCOC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933733469 659735433 /nfs/dbraw/zinc/73/54/33/659735433.db2.gz JXOAPCDVRUKZLX-MELADBBJSA-N 2 1 272.389 -0.106 20 0 CBADMP C[N@@H+]1C[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@]2(C)C1 ZINC000933741492 659737044 /nfs/dbraw/zinc/73/70/44/659737044.db2.gz BKLIWTZYVPWAMX-RISCZKNCSA-N 2 1 280.372 -0.188 20 0 CBADMP C[N@H+]1C[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@]2(C)C1 ZINC000933741492 659737049 /nfs/dbraw/zinc/73/70/49/659737049.db2.gz BKLIWTZYVPWAMX-RISCZKNCSA-N 2 1 280.372 -0.188 20 0 CBADMP C[NH+]1C[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@]2(C)C1 ZINC000933741492 659737051 /nfs/dbraw/zinc/73/70/51/659737051.db2.gz BKLIWTZYVPWAMX-RISCZKNCSA-N 2 1 280.372 -0.188 20 0 CBADMP C[NH+]1C[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@]2(C)C1 ZINC000933741492 659737054 /nfs/dbraw/zinc/73/70/54/659737054.db2.gz BKLIWTZYVPWAMX-RISCZKNCSA-N 2 1 280.372 -0.188 20 0 CBADMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754512 659737094 /nfs/dbraw/zinc/73/70/94/659737094.db2.gz CHUALOKLRDSDQS-OBJOEFQTSA-N 2 1 269.389 -0.114 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754512 659737100 /nfs/dbraw/zinc/73/71/00/659737100.db2.gz CHUALOKLRDSDQS-OBJOEFQTSA-N 2 1 269.389 -0.114 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754512 659737104 /nfs/dbraw/zinc/73/71/04/659737104.db2.gz CHUALOKLRDSDQS-OBJOEFQTSA-N 2 1 269.389 -0.114 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754512 659737109 /nfs/dbraw/zinc/73/71/09/659737109.db2.gz CHUALOKLRDSDQS-OBJOEFQTSA-N 2 1 269.389 -0.114 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754512 659737114 /nfs/dbraw/zinc/73/71/14/659737114.db2.gz CHUALOKLRDSDQS-OBJOEFQTSA-N 2 1 269.389 -0.114 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC000990526551 659756562 /nfs/dbraw/zinc/75/65/62/659756562.db2.gz SCYHFKRGQPAFHO-ZDUSSCGKSA-N 2 1 294.399 -0.497 20 0 CBADMP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000934967725 659813960 /nfs/dbraw/zinc/81/39/60/659813960.db2.gz XQZNMWWNSVVWEF-OCCSQVGLSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000934967725 659813963 /nfs/dbraw/zinc/81/39/63/659813963.db2.gz XQZNMWWNSVVWEF-OCCSQVGLSA-N 2 1 299.415 -0.068 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CC(N)=O)CC3)C1 ZINC000992474929 659857336 /nfs/dbraw/zinc/85/73/36/659857336.db2.gz IXTVQSCQDUFVLR-HUBLWGQQSA-N 2 1 294.399 -0.463 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CC(N)=O)CC3)C1 ZINC000992474929 659857340 /nfs/dbraw/zinc/85/73/40/659857340.db2.gz IXTVQSCQDUFVLR-HUBLWGQQSA-N 2 1 294.399 -0.463 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)C1 ZINC000992474929 659857343 /nfs/dbraw/zinc/85/73/43/659857343.db2.gz IXTVQSCQDUFVLR-HUBLWGQQSA-N 2 1 294.399 -0.463 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)C1 ZINC000992474929 659857344 /nfs/dbraw/zinc/85/73/44/659857344.db2.gz IXTVQSCQDUFVLR-HUBLWGQQSA-N 2 1 294.399 -0.463 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC000939753313 659894433 /nfs/dbraw/zinc/89/44/33/659894433.db2.gz DSOPNSNMBBJQBH-ZYHUDNBSSA-N 2 1 266.345 -0.380 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000995552361 659902521 /nfs/dbraw/zinc/90/25/21/659902521.db2.gz QOHWLTSJGBTSQE-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000995595040 659904999 /nfs/dbraw/zinc/90/49/99/659904999.db2.gz DFIQVHPMIRERRN-VXGBXAGGSA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000995595040 659905003 /nfs/dbraw/zinc/90/50/03/659905003.db2.gz DFIQVHPMIRERRN-VXGBXAGGSA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(N)=O ZINC000947685934 659960173 /nfs/dbraw/zinc/96/01/73/659960173.db2.gz QMGLZBFFVFZOGF-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(N)=O ZINC000947685934 659960175 /nfs/dbraw/zinc/96/01/75/659960175.db2.gz QMGLZBFFVFZOGF-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(N)=O ZINC000947685932 659960374 /nfs/dbraw/zinc/96/03/74/659960374.db2.gz QMGLZBFFVFZOGF-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(N)=O ZINC000947685932 659960377 /nfs/dbraw/zinc/96/03/77/659960377.db2.gz QMGLZBFFVFZOGF-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCO[C@H]2CN(c3cc(C4C[NH2+]C4)ncn3)C[C@@H]21 ZINC001164667223 719490134 /nfs/dbraw/zinc/49/01/34/719490134.db2.gz ISSWOHCDZNXEAV-STQMWFEESA-N 2 1 275.356 -0.317 20 0 CBADMP C[C@@H](C(=O)N1CCC([NH3+])CC1)N1CC[NH+](C)CC1 ZINC000032026181 790320111 /nfs/dbraw/zinc/32/01/11/790320111.db2.gz ZMDNHFFAXFRSDG-NSHDSACASA-N 2 1 254.378 -0.428 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CCC([NH3+])CC2)CC1 ZINC000032048548 790320318 /nfs/dbraw/zinc/32/03/18/790320318.db2.gz KGOCYMRDOQBZSS-UHFFFAOYSA-N 2 1 268.405 -0.036 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076805420 805626080 /nfs/dbraw/zinc/62/60/80/805626080.db2.gz GUVSZUFMFQSYHI-IJLUTSLNSA-N 2 1 255.362 -0.350 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076805420 805626094 /nfs/dbraw/zinc/62/60/94/805626094.db2.gz GUVSZUFMFQSYHI-IJLUTSLNSA-N 2 1 255.362 -0.350 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076805420 805626084 /nfs/dbraw/zinc/62/60/84/805626084.db2.gz GUVSZUFMFQSYHI-IJLUTSLNSA-N 2 1 255.362 -0.350 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001076805420 805626087 /nfs/dbraw/zinc/62/60/87/805626087.db2.gz GUVSZUFMFQSYHI-IJLUTSLNSA-N 2 1 255.362 -0.350 20 0 CBADMP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805743 805628993 /nfs/dbraw/zinc/62/89/93/805628993.db2.gz STGHAZGWQSMLOS-GRYCIOLGSA-N 2 1 255.362 -0.348 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805743 805628999 /nfs/dbraw/zinc/62/89/99/805628999.db2.gz STGHAZGWQSMLOS-GRYCIOLGSA-N 2 1 255.362 -0.348 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001076805743 805629003 /nfs/dbraw/zinc/62/90/03/805629003.db2.gz STGHAZGWQSMLOS-GRYCIOLGSA-N 2 1 255.362 -0.348 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076805743 805629007 /nfs/dbraw/zinc/62/90/07/805629007.db2.gz STGHAZGWQSMLOS-GRYCIOLGSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000044413008 790325183 /nfs/dbraw/zinc/32/51/83/790325183.db2.gz NRWSYUATUOTAFC-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000081369308 790364216 /nfs/dbraw/zinc/36/42/16/790364216.db2.gz JGNQHMVKSOYBGZ-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000081369308 790364226 /nfs/dbraw/zinc/36/42/26/790364226.db2.gz JGNQHMVKSOYBGZ-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000081369308 790364239 /nfs/dbraw/zinc/36/42/39/790364239.db2.gz JGNQHMVKSOYBGZ-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000081369308 790364253 /nfs/dbraw/zinc/36/42/53/790364253.db2.gz JGNQHMVKSOYBGZ-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000227977555 790433090 /nfs/dbraw/zinc/43/30/90/790433090.db2.gz AXQMQMMWDGMNSJ-NEPJUHHUSA-N 2 1 256.350 -0.854 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000227333165 790433670 /nfs/dbraw/zinc/43/36/70/790433670.db2.gz JBXUQKHZQSYAQT-XQQFMLRXSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@H](C)COC)C1 ZINC000300262166 790469098 /nfs/dbraw/zinc/46/90/98/790469098.db2.gz PYQXYJCIXCGKPW-FRRDWIJNSA-N 2 1 260.378 -0.060 20 0 CBADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000382181653 790523621 /nfs/dbraw/zinc/52/36/21/790523621.db2.gz UCOLQCYBYNPGSS-KBPBESRZSA-N 2 1 271.405 -0.260 20 0 CBADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000382181659 790523773 /nfs/dbraw/zinc/52/37/73/790523773.db2.gz UCOLQCYBYNPGSS-ZIAGYGMSSA-N 2 1 271.405 -0.260 20 0 CBADMP COCC(COC)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000384906865 790540913 /nfs/dbraw/zinc/54/09/13/790540913.db2.gz CHJPWYDHNQGHPX-NSHDSACASA-N 2 1 273.377 -0.565 20 0 CBADMP CN(C)C(=O)CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000385317757 790540974 /nfs/dbraw/zinc/54/09/74/790540974.db2.gz HMNAWRWYDDNNSU-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000385414223 790542950 /nfs/dbraw/zinc/54/29/50/790542950.db2.gz UGFMNPZIRBQHJF-NWDGAFQWSA-N 2 1 254.378 -0.524 20 0 CBADMP CCN(C[C@H](O)C[N@@H+](C)CCOC)[C@@H]1CC[NH2+]C1 ZINC000386479993 790547688 /nfs/dbraw/zinc/54/76/88/790547688.db2.gz VXAUFNSPTZRPPM-CHWSQXEVSA-N 2 1 259.394 -0.391 20 0 CBADMP COC[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000387009190 790551859 /nfs/dbraw/zinc/55/18/59/790551859.db2.gz XTWPGUNWOFBBKU-NFAWXSAZSA-N 2 1 297.399 -0.408 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000388292864 790556181 /nfs/dbraw/zinc/55/61/81/790556181.db2.gz XCBXCWAKGJBEQK-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000388292864 790556192 /nfs/dbraw/zinc/55/61/92/790556192.db2.gz XCBXCWAKGJBEQK-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000388877080 790558291 /nfs/dbraw/zinc/55/82/91/790558291.db2.gz RRDXHTRPCITSCI-MJBXVCDLSA-N 3 1 273.421 -0.158 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000388877080 790558298 /nfs/dbraw/zinc/55/82/98/790558298.db2.gz RRDXHTRPCITSCI-MJBXVCDLSA-N 2 1 273.421 -0.158 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000388877080 790558309 /nfs/dbraw/zinc/55/83/09/790558309.db2.gz RRDXHTRPCITSCI-MJBXVCDLSA-N 2 1 273.421 -0.158 20 0 CBADMP [NH3+][C@H](CC1CC1)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394383813 790576340 /nfs/dbraw/zinc/57/63/40/790576340.db2.gz GHSJOZBUGFFLJZ-QWHCGFSZSA-N 2 1 266.389 -0.380 20 0 CBADMP CCCN(C[C@H](O)C[N@@H+](C)CCOC)[C@@H]1CC[NH2+]C1 ZINC000394062036 790576828 /nfs/dbraw/zinc/57/68/28/790576828.db2.gz AMRVCHWNJNNZQU-ZIAGYGMSSA-N 2 1 273.421 -0.001 20 0 CBADMP [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394383812 790577708 /nfs/dbraw/zinc/57/77/08/790577708.db2.gz GHSJOZBUGFFLJZ-OLZOCXBDSA-N 2 1 266.389 -0.380 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC000401185905 790605831 /nfs/dbraw/zinc/60/58/31/790605831.db2.gz FASBRVJTGCXYHX-MQYQWHSLSA-N 2 1 273.421 -0.004 20 0 CBADMP COC1(CO)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000401768268 790606431 /nfs/dbraw/zinc/60/64/31/790606431.db2.gz MVUOEMOHYKIBRO-ZDUSSCGKSA-N 2 1 272.389 -0.084 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(S(=O)(=O)C3C[NH2+]C3)CC[C@H]21 ZINC000405163642 790616770 /nfs/dbraw/zinc/61/67/70/790616770.db2.gz ZYZSPHHFQORBLW-CMPLNLGQSA-N 2 1 273.402 -0.296 20 0 CBADMP CCNS(=O)(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405461731 790618266 /nfs/dbraw/zinc/61/82/66/790618266.db2.gz ZXMYSTIZSFTXTQ-ZJUUUORDSA-N 2 1 261.391 -0.215 20 0 CBADMP COCC(=O)N[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000586058389 790636615 /nfs/dbraw/zinc/63/66/15/790636615.db2.gz ARMNYGUISOYALW-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC(=O)N[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000586058389 790636620 /nfs/dbraw/zinc/63/66/20/790636620.db2.gz ARMNYGUISOYALW-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP COC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000686237105 790649031 /nfs/dbraw/zinc/64/90/31/790649031.db2.gz NZPBPVRXCPQRSY-QWRGUYRKSA-N 2 1 269.345 -0.062 20 0 CBADMP COC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000686237117 790650904 /nfs/dbraw/zinc/65/09/04/790650904.db2.gz NZPBPVRXCPQRSY-WDEREUQCSA-N 2 1 269.345 -0.062 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000691898629 790673557 /nfs/dbraw/zinc/67/35/57/790673557.db2.gz NFLIZBXHIGWAEE-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC(C(=O)N2CCC[N@@H+](CCO)CC2)CC1 ZINC000691902611 790674478 /nfs/dbraw/zinc/67/44/78/790674478.db2.gz HXCCYMTXCNYHEG-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000693575444 790682424 /nfs/dbraw/zinc/68/24/24/790682424.db2.gz VXHVRVIMJTWQQZ-KKOKHZNYSA-N 2 1 253.346 -0.297 20 0 CBADMP [NH3+]C[C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000695059761 790687776 /nfs/dbraw/zinc/68/77/76/790687776.db2.gz IBJBMDFTSVCNBB-NSHDSACASA-N 2 1 261.391 -0.307 20 0 CBADMP [NH3+]C[C@@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000695059761 790687785 /nfs/dbraw/zinc/68/77/85/790687785.db2.gz IBJBMDFTSVCNBB-NSHDSACASA-N 2 1 261.391 -0.307 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)CC[C@H]1C[NH3+] ZINC000695399398 790689811 /nfs/dbraw/zinc/68/98/11/790689811.db2.gz JYHPYAFWFCMDJS-ZJUUUORDSA-N 2 1 254.334 -0.545 20 0 CBADMP O=S1(=O)CCCN1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709386026 790737511 /nfs/dbraw/zinc/73/75/11/790737511.db2.gz KNRGRJJOVYWTPQ-FOSCPWQOSA-N 2 1 273.402 -0.106 20 0 CBADMP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000715100276 790752341 /nfs/dbraw/zinc/75/23/41/790752341.db2.gz GCZYLHQTPKRLAK-AVGNSLFASA-N 2 1 267.373 -0.096 20 0 CBADMP [NH3+]CCOCC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000720435690 790764428 /nfs/dbraw/zinc/76/44/28/790764428.db2.gz JSAIMYXLWGQVCD-MNOVXSKESA-N 2 1 273.402 -0.342 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH2+]CCO1 ZINC000720889861 790772946 /nfs/dbraw/zinc/77/29/46/790772946.db2.gz QDHVKCXCVVUIOK-TUAOUCFPSA-N 2 1 253.346 -0.330 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720904869 790774420 /nfs/dbraw/zinc/77/44/20/790774420.db2.gz XMABXWJOFKHCOQ-QJPTWQEYSA-N 2 1 254.378 -0.430 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723844589 790801817 /nfs/dbraw/zinc/80/18/17/790801817.db2.gz QKQPGCYZVKIOMP-JHJVBQTASA-N 2 1 259.394 -0.548 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723844589 790801829 /nfs/dbraw/zinc/80/18/29/790801829.db2.gz QKQPGCYZVKIOMP-JHJVBQTASA-N 2 1 259.394 -0.548 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723844589 790801843 /nfs/dbraw/zinc/80/18/43/790801843.db2.gz QKQPGCYZVKIOMP-JHJVBQTASA-N 2 1 259.394 -0.548 20 0 CBADMP Cn1c(C[N@H+]2CC[C@H](CC[NH3+])C2)cc(=O)n(C)c1=O ZINC000723678477 790803370 /nfs/dbraw/zinc/80/33/70/790803370.db2.gz SQAGOPQJFGUMBI-JTQLQIEISA-N 2 1 266.345 -0.745 20 0 CBADMP [NH3+]CC[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000723710541 790803586 /nfs/dbraw/zinc/80/35/86/790803586.db2.gz VNFJZYDOZJSYQA-NSHDSACASA-N 2 1 261.391 -0.307 20 0 CBADMP CO[C@@H]1CC[C@H]1[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000724152665 790806591 /nfs/dbraw/zinc/80/65/91/790806591.db2.gz MKAQSXGLIJWZFY-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)O[C@@H]1CCOC1 ZINC000724930056 790814946 /nfs/dbraw/zinc/81/49/46/790814946.db2.gz GDUZYRVBJFXIHL-ZIAGYGMSSA-N 2 1 269.389 -0.229 20 0 CBADMP C[N@H+]1CCC[C@H]1CC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000822126682 790833186 /nfs/dbraw/zinc/83/31/86/790833186.db2.gz BLOITLFBFHAINX-KBPBESRZSA-N 2 1 271.405 -0.247 20 0 CBADMP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000828697241 790888486 /nfs/dbraw/zinc/88/84/86/790888486.db2.gz JPFQIBXGDIIGCN-GXTWGEPZSA-N 2 1 283.372 -0.920 20 0 CBADMP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000828697241 790888496 /nfs/dbraw/zinc/88/84/96/790888496.db2.gz JPFQIBXGDIIGCN-GXTWGEPZSA-N 2 1 283.372 -0.920 20 0 CBADMP C[NH+](C)C1CC(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000908011201 790912628 /nfs/dbraw/zinc/91/26/28/790912628.db2.gz COEVPMVXBFWLHK-GVAFYICXSA-N 2 1 255.362 -0.350 20 0 CBADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000923526156 790923349 /nfs/dbraw/zinc/92/33/49/790923349.db2.gz BRWXVZPNMQNQSJ-LBPRGKRZSA-N 2 1 271.361 -0.079 20 0 CBADMP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001021895242 790965305 /nfs/dbraw/zinc/96/53/05/790965305.db2.gz JOBLXINGKZYVOS-NTZNESFSSA-N 2 1 292.387 -0.354 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001021896118 790966857 /nfs/dbraw/zinc/96/68/57/790966857.db2.gz VICZGHYFDHZYBW-LOWVWBTDSA-N 2 1 292.387 -0.354 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001021896118 790966869 /nfs/dbraw/zinc/96/68/69/790966869.db2.gz VICZGHYFDHZYBW-LOWVWBTDSA-N 2 1 292.387 -0.354 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001021906784 790968839 /nfs/dbraw/zinc/96/88/39/790968839.db2.gz YIASNRMYFQTLLX-WISYIIOYSA-N 2 1 255.362 -0.302 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001022076963 790986140 /nfs/dbraw/zinc/98/61/40/790986140.db2.gz GSIYGAMVCAMHEP-RVMXOQNASA-N 2 1 294.399 -0.417 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001022068044 790986186 /nfs/dbraw/zinc/98/61/86/790986186.db2.gz CUIBSZQGWVKMAL-RVMXOQNASA-N 2 1 296.415 -0.030 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001022104215 790988603 /nfs/dbraw/zinc/98/86/03/790988603.db2.gz YSEJVGDHNKJFRR-OBPIAQAESA-N 2 1 269.389 -0.056 20 0 CBADMP 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 790989403 /nfs/dbraw/zinc/98/94/03/790989403.db2.gz RLFCDRZKYGTHGM-PZWNZHSQSA-N 2 1 282.388 -0.563 20 0 CBADMP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001022119747 790992359 /nfs/dbraw/zinc/99/23/59/790992359.db2.gz HQMVDZHXBSNZFF-QNWHQSFQSA-N 2 1 283.372 -0.921 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001022291940 791002835 /nfs/dbraw/zinc/00/28/35/791002835.db2.gz IAOIWVBUCNDQOB-YVECIDJPSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022712759 791040216 /nfs/dbraw/zinc/04/02/16/791040216.db2.gz ZDWGBZMWXGMFFY-NDBYEHHHSA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022717170 791043013 /nfs/dbraw/zinc/04/30/13/791043013.db2.gz RRFGRQKQTAFYMZ-YFKTTZPYSA-N 2 1 255.362 -0.587 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077024662 805672590 /nfs/dbraw/zinc/67/25/90/805672590.db2.gz JZENJJJLFGOBMH-FDYHWXHSSA-N 2 1 269.389 -0.104 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077024662 805672593 /nfs/dbraw/zinc/67/25/93/805672593.db2.gz JZENJJJLFGOBMH-FDYHWXHSSA-N 2 1 269.389 -0.104 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077024662 805672636 /nfs/dbraw/zinc/67/26/36/805672636.db2.gz JZENJJJLFGOBMH-FDYHWXHSSA-N 2 1 269.389 -0.104 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077004259 805671187 /nfs/dbraw/zinc/67/11/87/805671187.db2.gz WCUYXAPYEKDIJA-BFHYXJOUSA-N 2 1 281.400 -0.102 20 0 CBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1O ZINC001077091177 805682392 /nfs/dbraw/zinc/68/23/92/805682392.db2.gz OVLOEEJNYYYIQZ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1O ZINC001077091177 805682397 /nfs/dbraw/zinc/68/23/97/805682397.db2.gz OVLOEEJNYYYIQZ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O ZINC001077091177 805682400 /nfs/dbraw/zinc/68/24/00/805682400.db2.gz OVLOEEJNYYYIQZ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001077091177 805682405 /nfs/dbraw/zinc/68/24/05/805682405.db2.gz OVLOEEJNYYYIQZ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001077128149 805688277 /nfs/dbraw/zinc/68/82/77/805688277.db2.gz ZFQNRUBRVQSTMW-BFHYXJOUSA-N 2 1 299.415 -0.882 20 0 CBADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001077128149 805688284 /nfs/dbraw/zinc/68/82/84/805688284.db2.gz ZFQNRUBRVQSTMW-BFHYXJOUSA-N 2 1 299.415 -0.882 20 0 CBADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001077128149 805688288 /nfs/dbraw/zinc/68/82/88/805688288.db2.gz ZFQNRUBRVQSTMW-BFHYXJOUSA-N 2 1 299.415 -0.882 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)CC1 ZINC001077618438 805756849 /nfs/dbraw/zinc/75/68/49/805756849.db2.gz IHRVJVGYTSOALV-CHWSQXEVSA-N 2 1 287.379 -0.151 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001147886648 814924749 /nfs/dbraw/zinc/92/47/49/814924749.db2.gz ZJBSRNZWSCFRCR-NSHDSACASA-N 2 1 280.376 -0.339 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001147886648 814924752 /nfs/dbraw/zinc/92/47/52/814924752.db2.gz ZJBSRNZWSCFRCR-NSHDSACASA-N 2 1 280.376 -0.339 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001147886279 814924809 /nfs/dbraw/zinc/92/48/09/814924809.db2.gz SWTYZGBPYVCUQR-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001147893797 814924879 /nfs/dbraw/zinc/92/48/79/814924879.db2.gz UAZLWHBCLNORHI-GFCCVEGCSA-N 2 1 280.376 -0.674 20 0 CBADMP Cc1nnc([C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C)[nH]1 ZINC001147886040 814924958 /nfs/dbraw/zinc/92/49/58/814924958.db2.gz RVNHEXDYMVATMR-JTQLQIEISA-N 2 1 298.391 -0.542 20 0 CBADMP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077679403 805769289 /nfs/dbraw/zinc/76/92/89/805769289.db2.gz QLSAUVMUECXFTE-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077679403 805769295 /nfs/dbraw/zinc/76/92/95/805769295.db2.gz QLSAUVMUECXFTE-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001077679403 805769305 /nfs/dbraw/zinc/76/93/05/805769305.db2.gz QLSAUVMUECXFTE-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001077679403 805769309 /nfs/dbraw/zinc/76/93/09/805769309.db2.gz QLSAUVMUECXFTE-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778302 805780452 /nfs/dbraw/zinc/78/04/52/805780452.db2.gz BUFGANWZWOFFNZ-IACUBPJLSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078008572 805823953 /nfs/dbraw/zinc/82/39/53/805823953.db2.gz LLHOPEBMLKXWAO-JHJVBQTASA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078008572 805823962 /nfs/dbraw/zinc/82/39/62/805823962.db2.gz LLHOPEBMLKXWAO-JHJVBQTASA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078008572 805823971 /nfs/dbraw/zinc/82/39/71/805823971.db2.gz LLHOPEBMLKXWAO-JHJVBQTASA-N 2 1 269.389 -0.102 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001078006190 805821553 /nfs/dbraw/zinc/82/15/53/805821553.db2.gz VINQNQMYVNGBEV-MGPQQGTHSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)C1 ZINC001078006190 805821562 /nfs/dbraw/zinc/82/15/62/805821562.db2.gz VINQNQMYVNGBEV-MGPQQGTHSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)C1 ZINC001078006190 805821569 /nfs/dbraw/zinc/82/15/69/805821569.db2.gz VINQNQMYVNGBEV-MGPQQGTHSA-N 2 1 281.400 -0.101 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011912 805822059 /nfs/dbraw/zinc/82/20/59/805822059.db2.gz NIVYKGSTEPOWMS-VXGBXAGGSA-N 2 1 267.373 -0.348 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175749 805850202 /nfs/dbraw/zinc/85/02/02/805850202.db2.gz KXHDXVNQUDJTDB-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078175749 805850209 /nfs/dbraw/zinc/85/02/09/805850209.db2.gz KXHDXVNQUDJTDB-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078175749 805850214 /nfs/dbraw/zinc/85/02/14/805850214.db2.gz KXHDXVNQUDJTDB-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175740 805849715 /nfs/dbraw/zinc/84/97/15/805849715.db2.gz KPIVKABHVBTLOZ-IJLUTSLNSA-N 2 1 255.362 -0.492 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078175740 805849724 /nfs/dbraw/zinc/84/97/24/805849724.db2.gz KPIVKABHVBTLOZ-IJLUTSLNSA-N 2 1 255.362 -0.492 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078175740 805849734 /nfs/dbraw/zinc/84/97/34/805849734.db2.gz KPIVKABHVBTLOZ-IJLUTSLNSA-N 2 1 255.362 -0.492 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001078179002 805852356 /nfs/dbraw/zinc/85/23/56/805852356.db2.gz NNYQJXGTYNGZTH-VXGBXAGGSA-N 2 1 273.352 -0.397 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001078179002 805852360 /nfs/dbraw/zinc/85/23/60/805852360.db2.gz NNYQJXGTYNGZTH-VXGBXAGGSA-N 2 1 273.352 -0.397 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001078180111 805853399 /nfs/dbraw/zinc/85/33/99/805853399.db2.gz NCKBIJDKKAOPKC-BFHYXJOUSA-N 2 1 297.399 -0.720 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001078180111 805853409 /nfs/dbraw/zinc/85/34/09/805853409.db2.gz NCKBIJDKKAOPKC-BFHYXJOUSA-N 2 1 297.399 -0.720 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001078367940 805874623 /nfs/dbraw/zinc/87/46/23/805874623.db2.gz WGOHQGHJRULTBP-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001078367940 805874632 /nfs/dbraw/zinc/87/46/32/805874632.db2.gz WGOHQGHJRULTBP-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001078367256 805875405 /nfs/dbraw/zinc/87/54/05/805875405.db2.gz HUDYAGCAAFFZBQ-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001078367256 805875414 /nfs/dbraw/zinc/87/54/14/805875414.db2.gz HUDYAGCAAFFZBQ-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900522 814925943 /nfs/dbraw/zinc/92/59/43/814925943.db2.gz PEKQVJXFWRVJEC-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001078510069 805879831 /nfs/dbraw/zinc/87/98/31/805879831.db2.gz PQEKIVHTQFPQIH-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001078510069 805879841 /nfs/dbraw/zinc/87/98/41/805879841.db2.gz PQEKIVHTQFPQIH-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382686 805975782 /nfs/dbraw/zinc/97/57/82/805975782.db2.gz YQGZBAYYWWLZMM-ZYHUDNBSSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382686 805975783 /nfs/dbraw/zinc/97/57/83/805975783.db2.gz YQGZBAYYWWLZMM-ZYHUDNBSSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001080449509 805985678 /nfs/dbraw/zinc/98/56/78/805985678.db2.gz NQMSWGCTOORJFI-YNEHKIRRSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080449509 805985687 /nfs/dbraw/zinc/98/56/87/805985687.db2.gz NQMSWGCTOORJFI-YNEHKIRRSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080449509 805985695 /nfs/dbraw/zinc/98/56/95/805985695.db2.gz NQMSWGCTOORJFI-YNEHKIRRSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)c1nncn1C ZINC001147977394 814927441 /nfs/dbraw/zinc/92/74/41/814927441.db2.gz QURLQOZXNBLQDP-NSHDSACASA-N 2 1 292.387 -0.322 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786649 806008987 /nfs/dbraw/zinc/00/89/87/806008987.db2.gz USKHPLGOPWTKAK-GRYCIOLGSA-N 2 1 294.399 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786649 806008996 /nfs/dbraw/zinc/00/89/96/806008996.db2.gz USKHPLGOPWTKAK-GRYCIOLGSA-N 2 1 294.399 -0.608 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848299 806127223 /nfs/dbraw/zinc/12/72/23/806127223.db2.gz XIBDXJTWTKSDCI-AAVRWANBSA-N 2 1 299.415 -0.069 20 0 CBADMP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848299 806127227 /nfs/dbraw/zinc/12/72/27/806127227.db2.gz XIBDXJTWTKSDCI-AAVRWANBSA-N 2 1 299.415 -0.069 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848299 806127233 /nfs/dbraw/zinc/12/72/33/806127233.db2.gz XIBDXJTWTKSDCI-AAVRWANBSA-N 2 1 299.415 -0.069 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848299 806127240 /nfs/dbraw/zinc/12/72/40/806127240.db2.gz XIBDXJTWTKSDCI-AAVRWANBSA-N 2 1 299.415 -0.069 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369836 806170010 /nfs/dbraw/zinc/17/00/10/806170010.db2.gz FFJASMSLRPODMD-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082369836 806170014 /nfs/dbraw/zinc/17/00/14/806170014.db2.gz FFJASMSLRPODMD-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082369836 806170016 /nfs/dbraw/zinc/17/00/16/806170016.db2.gz FFJASMSLRPODMD-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCO ZINC001082449920 806178938 /nfs/dbraw/zinc/17/89/38/806178938.db2.gz OTNLYQLBJLPWMX-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001082922233 806198686 /nfs/dbraw/zinc/19/86/86/806198686.db2.gz QRKCXBIWPYMXGB-JFGNBEQYSA-N 2 1 293.371 -0.498 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21 ZINC001083023914 806214304 /nfs/dbraw/zinc/21/43/04/806214304.db2.gz UKQCAIAGUJOPEQ-HZSPNIEDSA-N 2 1 297.399 -0.625 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21 ZINC001083023914 806214305 /nfs/dbraw/zinc/21/43/05/806214305.db2.gz UKQCAIAGUJOPEQ-HZSPNIEDSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083023914 806214307 /nfs/dbraw/zinc/21/43/07/806214307.db2.gz UKQCAIAGUJOPEQ-HZSPNIEDSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083023914 806214311 /nfs/dbraw/zinc/21/43/11/806214311.db2.gz UKQCAIAGUJOPEQ-HZSPNIEDSA-N 2 1 297.399 -0.625 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466152 806336897 /nfs/dbraw/zinc/33/68/97/806336897.db2.gz IHPDKUGLHVIEOJ-MCIONIFRSA-N 2 1 281.400 -0.101 20 0 CBADMP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565397 806367385 /nfs/dbraw/zinc/36/73/85/806367385.db2.gz QEFVIBMNVWWOSF-FVCCEPFGSA-N 2 1 285.388 -0.723 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565397 806367395 /nfs/dbraw/zinc/36/73/95/806367395.db2.gz QEFVIBMNVWWOSF-FVCCEPFGSA-N 2 1 285.388 -0.723 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565397 806367404 /nfs/dbraw/zinc/36/74/04/806367404.db2.gz QEFVIBMNVWWOSF-FVCCEPFGSA-N 2 1 285.388 -0.723 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565397 806367414 /nfs/dbraw/zinc/36/74/14/806367414.db2.gz QEFVIBMNVWWOSF-FVCCEPFGSA-N 2 1 285.388 -0.723 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602385 806382009 /nfs/dbraw/zinc/38/20/09/806382009.db2.gz RSTHAAJOSFECOT-OLZOCXBDSA-N 2 1 297.399 -0.842 20 0 CBADMP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602385 806382018 /nfs/dbraw/zinc/38/20/18/806382018.db2.gz RSTHAAJOSFECOT-OLZOCXBDSA-N 2 1 297.399 -0.842 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001083645478 806392011 /nfs/dbraw/zinc/39/20/11/806392011.db2.gz CMKJLRONSGMALX-OLZOCXBDSA-N 2 1 278.356 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001083645478 806392019 /nfs/dbraw/zinc/39/20/19/806392019.db2.gz CMKJLRONSGMALX-OLZOCXBDSA-N 2 1 278.356 -0.237 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083696384 806404364 /nfs/dbraw/zinc/40/43/64/806404364.db2.gz XRORBLNFETURPW-UPJWGTAASA-N 2 1 299.415 -0.597 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083696384 806404367 /nfs/dbraw/zinc/40/43/67/806404367.db2.gz XRORBLNFETURPW-UPJWGTAASA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750008 806421651 /nfs/dbraw/zinc/42/16/51/806421651.db2.gz BDZNIJDDQFBXIO-OLZOCXBDSA-N 2 1 269.389 -0.102 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001083781460 806431078 /nfs/dbraw/zinc/43/10/78/806431078.db2.gz ILROWWLSFCTWNV-BNOWGMLFSA-N 2 1 292.383 -0.065 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001083781460 806431082 /nfs/dbraw/zinc/43/10/82/806431082.db2.gz ILROWWLSFCTWNV-BNOWGMLFSA-N 2 1 292.383 -0.065 20 0 CBADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083833063 806441455 /nfs/dbraw/zinc/44/14/55/806441455.db2.gz HKUCXBVXMLRIGK-RDBSUJKOSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083833063 806441462 /nfs/dbraw/zinc/44/14/62/806441462.db2.gz HKUCXBVXMLRIGK-RDBSUJKOSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083833063 806441468 /nfs/dbraw/zinc/44/14/68/806441468.db2.gz HKUCXBVXMLRIGK-RDBSUJKOSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083833063 806441473 /nfs/dbraw/zinc/44/14/73/806441473.db2.gz HKUCXBVXMLRIGK-RDBSUJKOSA-N 2 1 299.415 -0.597 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833075 806442067 /nfs/dbraw/zinc/44/20/67/806442067.db2.gz IBQRPIFQBOZGIY-OLZOCXBDSA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954227 806467468 /nfs/dbraw/zinc/46/74/68/806467468.db2.gz QCVNCCXEYDVSAL-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083954227 806467476 /nfs/dbraw/zinc/46/74/76/806467476.db2.gz QCVNCCXEYDVSAL-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083954227 806467479 /nfs/dbraw/zinc/46/74/79/806467479.db2.gz QCVNCCXEYDVSAL-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@@H]2O)C1 ZINC001084053568 806480658 /nfs/dbraw/zinc/48/06/58/806480658.db2.gz CBRCKVONMKBQGQ-MJBXVCDLSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2O)C1 ZINC001084053568 806480665 /nfs/dbraw/zinc/48/06/65/806480665.db2.gz CBRCKVONMKBQGQ-MJBXVCDLSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2O)C1 ZINC001084053568 806480671 /nfs/dbraw/zinc/48/06/71/806480671.db2.gz CBRCKVONMKBQGQ-MJBXVCDLSA-N 2 1 281.400 -0.101 20 0 CBADMP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078837 806486919 /nfs/dbraw/zinc/48/69/19/806486919.db2.gz KKJNPKFLTZUKKO-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078837 806486924 /nfs/dbraw/zinc/48/69/24/806486924.db2.gz KKJNPKFLTZUKKO-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078837 806486927 /nfs/dbraw/zinc/48/69/27/806486927.db2.gz KKJNPKFLTZUKKO-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078837 806486931 /nfs/dbraw/zinc/48/69/31/806486931.db2.gz KKJNPKFLTZUKKO-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084662875 806529620 /nfs/dbraw/zinc/52/96/20/806529620.db2.gz AXCJMEXCADNWKY-MGPQQGTHSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CCO)C[C@H]32)C1 ZINC001084662875 806529629 /nfs/dbraw/zinc/52/96/29/806529629.db2.gz AXCJMEXCADNWKY-MGPQQGTHSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)C1 ZINC001084662875 806529634 /nfs/dbraw/zinc/52/96/34/806529634.db2.gz AXCJMEXCADNWKY-MGPQQGTHSA-N 2 1 281.400 -0.147 20 0 CBADMP O=C(N1C[C@H]2CC[N@H+](CCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778141 806536652 /nfs/dbraw/zinc/53/66/52/806536652.db2.gz HJWGWTGYGSJYKI-CHWSQXEVSA-N 2 1 279.384 -0.393 20 0 CBADMP Cc1nccn1CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084833841 806537944 /nfs/dbraw/zinc/53/79/44/806537944.db2.gz YPVBIAIPHIXGFV-CHWSQXEVSA-N 2 1 278.356 -0.283 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084833841 806537958 /nfs/dbraw/zinc/53/79/58/806537958.db2.gz YPVBIAIPHIXGFV-CHWSQXEVSA-N 2 1 278.356 -0.283 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCO)[C@H]3C2)C1 ZINC001084911727 806540353 /nfs/dbraw/zinc/54/03/53/806540353.db2.gz XDFPHJMXZUAHNQ-HZSPNIEDSA-N 2 1 297.399 -0.768 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCO)[C@H]3C2)C1 ZINC001084911727 806540358 /nfs/dbraw/zinc/54/03/58/806540358.db2.gz XDFPHJMXZUAHNQ-HZSPNIEDSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCO)[C@H]3C2)C1 ZINC001084911727 806540363 /nfs/dbraw/zinc/54/03/63/806540363.db2.gz XDFPHJMXZUAHNQ-HZSPNIEDSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@H]3C2)C1 ZINC001084911727 806540365 /nfs/dbraw/zinc/54/03/65/806540365.db2.gz XDFPHJMXZUAHNQ-HZSPNIEDSA-N 2 1 297.399 -0.768 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCO)[C@H]2C1 ZINC001084905729 806541791 /nfs/dbraw/zinc/54/17/91/806541791.db2.gz KNXIXCZULOHCNE-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001084905729 806541798 /nfs/dbraw/zinc/54/17/98/806541798.db2.gz KNXIXCZULOHCNE-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001084905729 806541808 /nfs/dbraw/zinc/54/18/08/806541808.db2.gz KNXIXCZULOHCNE-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CCO)[C@H]3C2)C1 ZINC001085093260 806546517 /nfs/dbraw/zinc/54/65/17/806546517.db2.gz PFUFGNCFYMEQBA-RDBSUJKOSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCO)[C@H]3C2)C1 ZINC001085093260 806546526 /nfs/dbraw/zinc/54/65/26/806546526.db2.gz PFUFGNCFYMEQBA-RDBSUJKOSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@H]3C2)C1 ZINC001085093260 806546530 /nfs/dbraw/zinc/54/65/30/806546530.db2.gz PFUFGNCFYMEQBA-RDBSUJKOSA-N 2 1 281.400 -0.147 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCO)C1 ZINC001085980062 806629078 /nfs/dbraw/zinc/62/90/78/806629078.db2.gz IJFXHBXKCYNQFW-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCO)C1 ZINC001085980062 806629080 /nfs/dbraw/zinc/62/90/80/806629080.db2.gz IJFXHBXKCYNQFW-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCO)C1 ZINC001085980062 806629084 /nfs/dbraw/zinc/62/90/84/806629084.db2.gz IJFXHBXKCYNQFW-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCCO)C1 ZINC001085980062 806629088 /nfs/dbraw/zinc/62/90/88/806629088.db2.gz IJFXHBXKCYNQFW-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085973518 806629143 /nfs/dbraw/zinc/62/91/43/806629143.db2.gz YXDHLQBMIONSPX-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085973518 806629144 /nfs/dbraw/zinc/62/91/44/806629144.db2.gz YXDHLQBMIONSPX-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085973518 806629148 /nfs/dbraw/zinc/62/91/48/806629148.db2.gz YXDHLQBMIONSPX-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001022973534 798869927 /nfs/dbraw/zinc/86/99/27/798869927.db2.gz OBJMAIPRRJPRPR-RVMXOQNASA-N 2 1 294.399 -0.547 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001022976639 798870193 /nfs/dbraw/zinc/87/01/93/798870193.db2.gz CMZLSADQFOBLER-RVMXOQNASA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023086449 798879446 /nfs/dbraw/zinc/87/94/46/798879446.db2.gz MEJJGVAIJFVQHX-KKOKHZNYSA-N 2 1 255.362 -0.444 20 0 CBADMP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001023086872 798879642 /nfs/dbraw/zinc/87/96/42/798879642.db2.gz ZVURNLRDAYIRSJ-NDBYEHHHSA-N 2 1 294.399 -0.594 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001023084066 798880026 /nfs/dbraw/zinc/88/00/26/798880026.db2.gz HUNMOOBDDCHNLQ-RWMBFGLXSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001023083932 798880135 /nfs/dbraw/zinc/88/01/35/798880135.db2.gz DPZISFOFMXPMKM-WUHRBBMRSA-N 2 1 294.399 -0.547 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023084812 798880221 /nfs/dbraw/zinc/88/02/21/798880221.db2.gz ZWGPICJHQJUIDR-UTUOFQBUSA-N 2 1 292.387 -0.496 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001023090870 798881408 /nfs/dbraw/zinc/88/14/08/798881408.db2.gz AIFFBTLIZWWOLG-INTQDDNPSA-N 2 1 279.344 -0.698 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001023115484 798884306 /nfs/dbraw/zinc/88/43/06/798884306.db2.gz MNGJVZNKCSBRBS-FVCCEPFGSA-N 2 1 285.388 -0.675 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001023115484 798884311 /nfs/dbraw/zinc/88/43/11/798884311.db2.gz MNGJVZNKCSBRBS-FVCCEPFGSA-N 2 1 285.388 -0.675 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001023115485 798884359 /nfs/dbraw/zinc/88/43/59/798884359.db2.gz MNGJVZNKCSBRBS-NDBYEHHHSA-N 2 1 285.388 -0.675 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001023115485 798884364 /nfs/dbraw/zinc/88/43/64/798884364.db2.gz MNGJVZNKCSBRBS-NDBYEHHHSA-N 2 1 285.388 -0.675 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001023131010 798885839 /nfs/dbraw/zinc/88/58/39/798885839.db2.gz SUAAEHKRKUYAQA-GRYCIOLGSA-N 2 1 282.388 -0.417 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+](CCCO)C2)C1 ZINC001023292605 798897775 /nfs/dbraw/zinc/89/77/75/798897775.db2.gz YPKVNWRFGSXTJQ-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+](CCCO)C2)C1 ZINC001023292605 798897780 /nfs/dbraw/zinc/89/77/80/798897780.db2.gz YPKVNWRFGSXTJQ-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC001023292605 798897787 /nfs/dbraw/zinc/89/77/87/798897787.db2.gz YPKVNWRFGSXTJQ-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC001023292605 798897794 /nfs/dbraw/zinc/89/77/94/798897794.db2.gz YPKVNWRFGSXTJQ-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023292370 798898019 /nfs/dbraw/zinc/89/80/19/798898019.db2.gz VAPHGOFFZHPNAX-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023292370 798898025 /nfs/dbraw/zinc/89/80/25/798898025.db2.gz VAPHGOFFZHPNAX-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023292370 798898028 /nfs/dbraw/zinc/89/80/28/798898028.db2.gz VAPHGOFFZHPNAX-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023292370 798898034 /nfs/dbraw/zinc/89/80/34/798898034.db2.gz VAPHGOFFZHPNAX-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023292372 798898087 /nfs/dbraw/zinc/89/80/87/798898087.db2.gz VAPHGOFFZHPNAX-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023292372 798898091 /nfs/dbraw/zinc/89/80/91/798898091.db2.gz VAPHGOFFZHPNAX-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023292372 798898095 /nfs/dbraw/zinc/89/80/95/798898095.db2.gz VAPHGOFFZHPNAX-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023292372 798898100 /nfs/dbraw/zinc/89/81/00/798898100.db2.gz VAPHGOFFZHPNAX-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023292373 798898574 /nfs/dbraw/zinc/89/85/74/798898574.db2.gz VAPHGOFFZHPNAX-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023292373 798898575 /nfs/dbraw/zinc/89/85/75/798898575.db2.gz VAPHGOFFZHPNAX-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023292373 798898580 /nfs/dbraw/zinc/89/85/80/798898580.db2.gz VAPHGOFFZHPNAX-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023292373 798898582 /nfs/dbraw/zinc/89/85/82/798898582.db2.gz VAPHGOFFZHPNAX-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP 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 798971445 /nfs/dbraw/zinc/97/14/45/798971445.db2.gz IBCZPPDLIUJKAD-MLGHIDQZSA-N 2 1 294.399 -0.609 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001025707993 798971449 /nfs/dbraw/zinc/97/14/49/798971449.db2.gz IBCZPPDLIUJKAD-MLGHIDQZSA-N 2 1 294.399 -0.609 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001025707993 798971454 /nfs/dbraw/zinc/97/14/54/798971454.db2.gz IBCZPPDLIUJKAD-MLGHIDQZSA-N 2 1 294.399 -0.609 20 0 CBADMP 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 798975095 /nfs/dbraw/zinc/97/50/95/798975095.db2.gz KUQQYRNMEUMMPU-ZSAUSMIDSA-N 2 1 293.411 -0.101 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025781594 798975099 /nfs/dbraw/zinc/97/50/99/798975099.db2.gz KUQQYRNMEUMMPU-ZSAUSMIDSA-N 2 1 293.411 -0.101 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025781594 798975104 /nfs/dbraw/zinc/97/51/04/798975104.db2.gz KUQQYRNMEUMMPU-ZSAUSMIDSA-N 2 1 293.411 -0.101 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798640 798976954 /nfs/dbraw/zinc/97/69/54/798976954.db2.gz BKYCDYRRLYIQKE-RGDJUOJXSA-N 2 1 297.374 -0.135 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798640 798976958 /nfs/dbraw/zinc/97/69/58/798976958.db2.gz BKYCDYRRLYIQKE-RGDJUOJXSA-N 2 1 297.374 -0.135 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH+](CCF)C[C@H]21)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025798640 798976962 /nfs/dbraw/zinc/97/69/62/798976962.db2.gz BKYCDYRRLYIQKE-RGDJUOJXSA-N 2 1 297.374 -0.135 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH+](CCF)C[C@H]21)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025798640 798976967 /nfs/dbraw/zinc/97/69/67/798976967.db2.gz BKYCDYRRLYIQKE-RGDJUOJXSA-N 2 1 297.374 -0.135 20 0 CBADMP 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 798987203 /nfs/dbraw/zinc/98/72/03/798987203.db2.gz FXQFLAHNZDWFFF-NTASLKFISA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001026043505 798987210 /nfs/dbraw/zinc/98/72/10/798987210.db2.gz FXQFLAHNZDWFFF-NTASLKFISA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001026043505 798987214 /nfs/dbraw/zinc/98/72/14/798987214.db2.gz FXQFLAHNZDWFFF-NTASLKFISA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001026043394 798987245 /nfs/dbraw/zinc/98/72/45/798987245.db2.gz OZNLILHYWWNDSW-SSKLVLDBSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001026043394 798987250 /nfs/dbraw/zinc/98/72/50/798987250.db2.gz OZNLILHYWWNDSW-SSKLVLDBSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001026043394 798987257 /nfs/dbraw/zinc/98/72/57/798987257.db2.gz OZNLILHYWWNDSW-SSKLVLDBSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001026043394 798987266 /nfs/dbraw/zinc/98/72/66/798987266.db2.gz OZNLILHYWWNDSW-SSKLVLDBSA-N 2 1 294.399 -0.752 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001026044227 798987545 /nfs/dbraw/zinc/98/75/45/798987545.db2.gz MBJXVMGBKSBLJX-MEBFFEOJSA-N 2 1 281.400 -0.123 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001026044227 798987547 /nfs/dbraw/zinc/98/75/47/798987547.db2.gz MBJXVMGBKSBLJX-MEBFFEOJSA-N 2 1 281.400 -0.123 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001026044227 798987552 /nfs/dbraw/zinc/98/75/52/798987552.db2.gz MBJXVMGBKSBLJX-MEBFFEOJSA-N 2 1 281.400 -0.123 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001026040829 798987815 /nfs/dbraw/zinc/98/78/15/798987815.db2.gz IMOWJWRTYBPPDK-SVPLCASGSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001026040829 798987817 /nfs/dbraw/zinc/98/78/17/798987817.db2.gz IMOWJWRTYBPPDK-SVPLCASGSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001026040829 798987819 /nfs/dbraw/zinc/98/78/19/798987819.db2.gz IMOWJWRTYBPPDK-SVPLCASGSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001026040829 798987820 /nfs/dbraw/zinc/98/78/20/798987820.db2.gz IMOWJWRTYBPPDK-SVPLCASGSA-N 2 1 294.399 -0.609 20 0 CBADMP 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 798991785 /nfs/dbraw/zinc/99/17/85/798991785.db2.gz OCHNKNBVPZUHJJ-FHUSYTEZSA-N 2 1 267.373 -0.635 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001026145829 798991789 /nfs/dbraw/zinc/99/17/89/798991789.db2.gz OCHNKNBVPZUHJJ-FHUSYTEZSA-N 2 1 267.373 -0.635 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001026145829 798991793 /nfs/dbraw/zinc/99/17/93/798991793.db2.gz OCHNKNBVPZUHJJ-FHUSYTEZSA-N 2 1 267.373 -0.635 20 0 CBADMP 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 798993603 /nfs/dbraw/zinc/99/36/03/798993603.db2.gz VKQJEULRYFUBRC-JZRPKSSGSA-N 2 1 294.399 -0.881 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001026145891 798993610 /nfs/dbraw/zinc/99/36/10/798993610.db2.gz VKQJEULRYFUBRC-JZRPKSSGSA-N 2 1 294.399 -0.881 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001026145891 798993616 /nfs/dbraw/zinc/99/36/16/798993616.db2.gz VKQJEULRYFUBRC-JZRPKSSGSA-N 2 1 294.399 -0.881 20 0 CBADMP 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 798993711 /nfs/dbraw/zinc/99/37/11/798993711.db2.gz OCHNKNBVPZUHJJ-KVSVUVNWSA-N 2 1 267.373 -0.635 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001026145831 798993714 /nfs/dbraw/zinc/99/37/14/798993714.db2.gz OCHNKNBVPZUHJJ-KVSVUVNWSA-N 2 1 267.373 -0.635 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001026145831 798993720 /nfs/dbraw/zinc/99/37/20/798993720.db2.gz OCHNKNBVPZUHJJ-KVSVUVNWSA-N 2 1 267.373 -0.635 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026592437 799011749 /nfs/dbraw/zinc/01/17/49/799011749.db2.gz ASFCWWCAQFUVIG-HIFPTAJRSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001026749282 799021084 /nfs/dbraw/zinc/02/10/84/799021084.db2.gz DXHJVFGQHKZGHU-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001026749282 799021092 /nfs/dbraw/zinc/02/10/92/799021092.db2.gz DXHJVFGQHKZGHU-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cnon3)C2)C1 ZINC001027216869 799033577 /nfs/dbraw/zinc/03/35/77/799033577.db2.gz YNWOBYISTSALSW-NWDGAFQWSA-N 2 1 293.371 -0.041 20 0 CBADMP C[NH+](C)C1(C(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)CCC1 ZINC001027440285 799048132 /nfs/dbraw/zinc/04/81/32/799048132.db2.gz BOOHNWFMYQEVNE-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)CCC1 ZINC001027440285 799048140 /nfs/dbraw/zinc/04/81/40/799048140.db2.gz BOOHNWFMYQEVNE-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001027576829 799058483 /nfs/dbraw/zinc/05/84/83/799058483.db2.gz XTLYBOHTHCGPID-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001027576829 799058485 /nfs/dbraw/zinc/05/84/85/799058485.db2.gz XTLYBOHTHCGPID-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001027576829 799058494 /nfs/dbraw/zinc/05/84/94/799058494.db2.gz XTLYBOHTHCGPID-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001027576829 799058501 /nfs/dbraw/zinc/05/85/01/799058501.db2.gz XTLYBOHTHCGPID-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+](C)CC(N)=O)C2)C1 ZINC001027575756 799059050 /nfs/dbraw/zinc/05/90/50/799059050.db2.gz DJNNBMLFUDIMRO-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH+](C)CC(N)=O)C2)C1 ZINC001027575756 799059053 /nfs/dbraw/zinc/05/90/53/799059053.db2.gz DJNNBMLFUDIMRO-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)C1 ZINC001027575756 799059054 /nfs/dbraw/zinc/05/90/54/799059054.db2.gz DJNNBMLFUDIMRO-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC001027575756 799059056 /nfs/dbraw/zinc/05/90/56/799059056.db2.gz DJNNBMLFUDIMRO-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027650343 799062893 /nfs/dbraw/zinc/06/28/93/799062893.db2.gz FEUQXJBVNQBBJS-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027650343 799062894 /nfs/dbraw/zinc/06/28/94/799062894.db2.gz FEUQXJBVNQBBJS-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027650343 799062900 /nfs/dbraw/zinc/06/29/00/799062900.db2.gz FEUQXJBVNQBBJS-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027650343 799062901 /nfs/dbraw/zinc/06/29/01/799062901.db2.gz FEUQXJBVNQBBJS-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001028118455 799110870 /nfs/dbraw/zinc/11/08/70/799110870.db2.gz ZXXBXGIOQBJEDL-GFCCVEGCSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001028118455 799110875 /nfs/dbraw/zinc/11/08/75/799110875.db2.gz ZXXBXGIOQBJEDL-GFCCVEGCSA-N 2 1 282.388 -0.606 20 0 CBADMP CN(C)C(=O)CN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028313940 799121413 /nfs/dbraw/zinc/12/14/13/799121413.db2.gz DERWWKQLVPSGRG-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028313940 799121417 /nfs/dbraw/zinc/12/14/17/799121417.db2.gz DERWWKQLVPSGRG-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028313940 799121420 /nfs/dbraw/zinc/12/14/20/799121420.db2.gz DERWWKQLVPSGRG-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028313940 799121423 /nfs/dbraw/zinc/12/14/23/799121423.db2.gz DERWWKQLVPSGRG-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028313940 799121427 /nfs/dbraw/zinc/12/14/27/799121427.db2.gz DERWWKQLVPSGRG-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCO)C1 ZINC001028327715 799123066 /nfs/dbraw/zinc/12/30/66/799123066.db2.gz BQFLBIDQVDGQJQ-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCO)C1 ZINC001028327715 799123069 /nfs/dbraw/zinc/12/30/69/799123069.db2.gz BQFLBIDQVDGQJQ-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCO)C1 ZINC001028327715 799123072 /nfs/dbraw/zinc/12/30/72/799123072.db2.gz BQFLBIDQVDGQJQ-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCO)C1 ZINC001028327715 799123074 /nfs/dbraw/zinc/12/30/74/799123074.db2.gz BQFLBIDQVDGQJQ-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447249 799137815 /nfs/dbraw/zinc/13/78/15/799137815.db2.gz NZGKEAXNPBIPHA-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001028447249 799137817 /nfs/dbraw/zinc/13/78/17/799137817.db2.gz NZGKEAXNPBIPHA-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001028447249 799137819 /nfs/dbraw/zinc/13/78/19/799137819.db2.gz NZGKEAXNPBIPHA-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001028539384 799150579 /nfs/dbraw/zinc/15/05/79/799150579.db2.gz VNHZLXLPNRLBSC-OCCSQVGLSA-N 2 1 281.400 -0.241 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001028553038 799151421 /nfs/dbraw/zinc/15/14/21/799151421.db2.gz ZFCITQMXJWFVRG-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001028553038 799151424 /nfs/dbraw/zinc/15/14/24/799151424.db2.gz ZFCITQMXJWFVRG-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001028553038 799151427 /nfs/dbraw/zinc/15/14/27/799151427.db2.gz ZFCITQMXJWFVRG-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028933737 799181503 /nfs/dbraw/zinc/18/15/03/799181503.db2.gz SRJPAGBBZMPPAC-QWHCGFSZSA-N 2 1 281.400 -0.099 20 0 CBADMP O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@@]12CC[NH+](C1)CCC2 ZINC001028956234 799181588 /nfs/dbraw/zinc/18/15/88/799181588.db2.gz AREUABPZYVUADO-HIFRSBDPSA-N 2 1 281.400 -0.097 20 0 CBADMP O=C(NC[C@H]1CC[NH+](CCO)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001028956234 799181591 /nfs/dbraw/zinc/18/15/91/799181591.db2.gz AREUABPZYVUADO-HIFRSBDPSA-N 2 1 281.400 -0.097 20 0 CBADMP O=C(NC[C@H]1CC[NH+](CCO)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001028956234 799181593 /nfs/dbraw/zinc/18/15/93/799181593.db2.gz AREUABPZYVUADO-HIFRSBDPSA-N 2 1 281.400 -0.097 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028933735 799181634 /nfs/dbraw/zinc/18/16/34/799181634.db2.gz SRJPAGBBZMPPAC-CHWSQXEVSA-N 2 1 281.400 -0.099 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028986146 799183848 /nfs/dbraw/zinc/18/38/48/799183848.db2.gz PVRLRXNTBCCEIR-OLZOCXBDSA-N 2 1 296.415 -0.536 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028986146 799183852 /nfs/dbraw/zinc/18/38/52/799183852.db2.gz PVRLRXNTBCCEIR-OLZOCXBDSA-N 2 1 296.415 -0.536 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028986146 799183854 /nfs/dbraw/zinc/18/38/54/799183854.db2.gz PVRLRXNTBCCEIR-OLZOCXBDSA-N 2 1 296.415 -0.536 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001029474747 799200566 /nfs/dbraw/zinc/20/05/66/799200566.db2.gz IATCDMFPDLSSHI-MQYQWHSLSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029474747 799200571 /nfs/dbraw/zinc/20/05/71/799200571.db2.gz IATCDMFPDLSSHI-MQYQWHSLSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029474747 799200575 /nfs/dbraw/zinc/20/05/75/799200575.db2.gz IATCDMFPDLSSHI-MQYQWHSLSA-N 2 1 281.400 -0.148 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001030020133 799211059 /nfs/dbraw/zinc/21/10/59/799211059.db2.gz ZVMHWDAPSPBQDS-YNEHKIRRSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001030020132 799211474 /nfs/dbraw/zinc/21/14/74/799211474.db2.gz ZVMHWDAPSPBQDS-RWMBFGLXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001030161039 799252343 /nfs/dbraw/zinc/25/23/43/799252343.db2.gz IZTXEAZWLUZEOT-AAEUAGOBSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001030161039 799252340 /nfs/dbraw/zinc/25/23/40/799252340.db2.gz IZTXEAZWLUZEOT-AAEUAGOBSA-N 2 1 267.373 -0.083 20 0 CBADMP CN1CCO[C@H](C(=O)NC2C[NH+](CC[C@@H]3CCOC3)C2)C1 ZINC001030185103 799260940 /nfs/dbraw/zinc/26/09/40/799260940.db2.gz ZMHHMLCQTRKGOJ-OCCSQVGLSA-N 2 1 297.399 -0.456 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031585557 799513311 /nfs/dbraw/zinc/51/33/11/799513311.db2.gz ZHKMQUGPLOJYQZ-YPMHNXCESA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031585557 799513315 /nfs/dbraw/zinc/51/33/15/799513315.db2.gz ZHKMQUGPLOJYQZ-YPMHNXCESA-N 2 1 296.415 -0.395 20 0 CBADMP CO[C@H](C)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031596878 799516782 /nfs/dbraw/zinc/51/67/82/799516782.db2.gz RFFOKXBNPQAAFZ-YPMHNXCESA-N 2 1 285.388 -0.600 20 0 CBADMP CO[C@H](C)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031596878 799516786 /nfs/dbraw/zinc/51/67/86/799516786.db2.gz RFFOKXBNPQAAFZ-YPMHNXCESA-N 2 1 285.388 -0.600 20 0 CBADMP O=C(NCC1C[NH+](CCO)C1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031669641 799530365 /nfs/dbraw/zinc/53/03/65/799530365.db2.gz PUPTZKFESMMGAT-UONOGXRCSA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCCO)C2)CC[N@H+]1C ZINC001031681283 799532282 /nfs/dbraw/zinc/53/22/82/799532282.db2.gz LQHZHASFYORFIL-DGCLKSJQSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031776319 799542740 /nfs/dbraw/zinc/54/27/40/799542740.db2.gz IBIFDRPQQJTAOS-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031776320 799542808 /nfs/dbraw/zinc/54/28/08/799542808.db2.gz IBIFDRPQQJTAOS-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CCO)C2)CC[N@H+]1C ZINC001031925421 799563052 /nfs/dbraw/zinc/56/30/52/799563052.db2.gz IBKJSVTWQXDZLR-AAEUAGOBSA-N 2 1 269.389 -0.243 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCCO)C2)C1 ZINC001031923321 799563249 /nfs/dbraw/zinc/56/32/49/799563249.db2.gz ZIAOUHVZJPJUII-CQSZACIVSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031948439 799565470 /nfs/dbraw/zinc/56/54/70/799565470.db2.gz ACHFNEKUWWUXFF-CYBMUJFWSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031977169 799567753 /nfs/dbraw/zinc/56/77/53/799567753.db2.gz XSYBWLUACGOJAI-DGCLKSJQSA-N 2 1 269.389 -0.386 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186135 799590251 /nfs/dbraw/zinc/59/02/51/799590251.db2.gz JBVINZHONINSRU-PWSUYJOCSA-N 2 1 282.388 -0.879 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186135 799590255 /nfs/dbraw/zinc/59/02/55/799590255.db2.gz JBVINZHONINSRU-PWSUYJOCSA-N 2 1 282.388 -0.879 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032185598 799590353 /nfs/dbraw/zinc/59/03/53/799590353.db2.gz AGOIAQMPHVJDOC-GFCCVEGCSA-N 2 1 255.362 -0.368 20 0 CBADMP CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001032197250 799592458 /nfs/dbraw/zinc/59/24/58/799592458.db2.gz HAPYPARBGGAGRB-GFCCVEGCSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001032197250 799592462 /nfs/dbraw/zinc/59/24/62/799592462.db2.gz HAPYPARBGGAGRB-GFCCVEGCSA-N 2 1 255.362 -0.225 20 0 CBADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032405657 799623949 /nfs/dbraw/zinc/62/39/49/799623949.db2.gz NBUIBUAYEPTVPC-SOUVJXGZSA-N 2 1 293.411 -0.004 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO)C1CC1 ZINC001032445426 799628518 /nfs/dbraw/zinc/62/85/18/799628518.db2.gz FXPNHMHWVSDXKW-IHRRRGAJSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO)C1CC1 ZINC001032445426 799628520 /nfs/dbraw/zinc/62/85/20/799628520.db2.gz FXPNHMHWVSDXKW-IHRRRGAJSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032603077 799648154 /nfs/dbraw/zinc/64/81/54/799648154.db2.gz NWDLQPUOAARJGF-UBHSHLNASA-N 2 1 281.400 -0.006 20 0 CBADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](C)O)[NH+](C)C ZINC001032634220 799650488 /nfs/dbraw/zinc/65/04/88/799650488.db2.gz GTZCHYATENYBRW-VOAKCMCISA-N 2 1 269.389 -0.008 20 0 CBADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](C)O)[NH+](C)C ZINC001032634220 799650492 /nfs/dbraw/zinc/65/04/92/799650492.db2.gz GTZCHYATENYBRW-VOAKCMCISA-N 2 1 269.389 -0.008 20 0 CBADMP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO ZINC001032626368 799651995 /nfs/dbraw/zinc/65/19/95/799651995.db2.gz DPXQZIMIXACYFC-AVGNSLFASA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO ZINC001032626368 799652001 /nfs/dbraw/zinc/65/20/01/799652001.db2.gz DPXQZIMIXACYFC-AVGNSLFASA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032626368 799652007 /nfs/dbraw/zinc/65/20/07/799652007.db2.gz DPXQZIMIXACYFC-AVGNSLFASA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032626368 799652010 /nfs/dbraw/zinc/65/20/10/799652010.db2.gz DPXQZIMIXACYFC-AVGNSLFASA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)CC1 ZINC001032665092 799652712 /nfs/dbraw/zinc/65/27/12/799652712.db2.gz HCEOTJPYPOMVHY-KBPBESRZSA-N 2 1 281.400 -0.004 20 0 CBADMP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO)C12CC[NH+](CC1)C2 ZINC001032734172 799662339 /nfs/dbraw/zinc/66/23/39/799662339.db2.gz ZSYCJIPHAIIMRZ-STQMWFEESA-N 2 1 279.384 -0.250 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828609 799673645 /nfs/dbraw/zinc/67/36/45/799673645.db2.gz XSEUILGLQGLRLC-SDDRHHMPSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032828609 799673649 /nfs/dbraw/zinc/67/36/49/799673649.db2.gz XSEUILGLQGLRLC-SDDRHHMPSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032828609 799673655 /nfs/dbraw/zinc/67/36/55/799673655.db2.gz XSEUILGLQGLRLC-SDDRHHMPSA-N 2 1 255.362 -0.348 20 0 CBADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001032959109 799696984 /nfs/dbraw/zinc/69/69/84/799696984.db2.gz CZJBMTMLEJKZSJ-VXGBXAGGSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCO)C1 ZINC001032959109 799696987 /nfs/dbraw/zinc/69/69/87/799696987.db2.gz CZJBMTMLEJKZSJ-VXGBXAGGSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCO)C1 ZINC001032959109 799696988 /nfs/dbraw/zinc/69/69/88/799696988.db2.gz CZJBMTMLEJKZSJ-VXGBXAGGSA-N 2 1 255.362 -0.394 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCO)C2)C1 ZINC001033357529 799742052 /nfs/dbraw/zinc/74/20/52/799742052.db2.gz HWNRUQSPDOWUIW-KGLIPLIRSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCO)C2)C1 ZINC001033357529 799742056 /nfs/dbraw/zinc/74/20/56/799742056.db2.gz HWNRUQSPDOWUIW-KGLIPLIRSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001033357529 799742057 /nfs/dbraw/zinc/74/20/57/799742057.db2.gz HWNRUQSPDOWUIW-KGLIPLIRSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001033357529 799742062 /nfs/dbraw/zinc/74/20/62/799742062.db2.gz HWNRUQSPDOWUIW-KGLIPLIRSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCO)C2)C1 ZINC001033416308 799752847 /nfs/dbraw/zinc/75/28/47/799752847.db2.gz OZEBGCQVXYOYFV-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001033416308 799752852 /nfs/dbraw/zinc/75/28/52/799752852.db2.gz OZEBGCQVXYOYFV-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001033416308 799752855 /nfs/dbraw/zinc/75/28/55/799752855.db2.gz OZEBGCQVXYOYFV-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593913 799768876 /nfs/dbraw/zinc/76/88/76/799768876.db2.gz OFBFMGVUPYYKGD-NEPJUHHUSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593913 799768881 /nfs/dbraw/zinc/76/88/81/799768881.db2.gz OFBFMGVUPYYKGD-NEPJUHHUSA-N 2 1 294.399 -0.511 20 0 CBADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033595740 799770250 /nfs/dbraw/zinc/77/02/50/799770250.db2.gz UWFVGKSDVNHVIM-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCO)C1 ZINC001033595740 799770253 /nfs/dbraw/zinc/77/02/53/799770253.db2.gz UWFVGKSDVNHVIM-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCO)C1 ZINC001033595740 799770257 /nfs/dbraw/zinc/77/02/57/799770257.db2.gz UWFVGKSDVNHVIM-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033661007 799777120 /nfs/dbraw/zinc/77/71/20/799777120.db2.gz JZAMQLAQZATBIZ-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033661007 799777124 /nfs/dbraw/zinc/77/71/24/799777124.db2.gz JZAMQLAQZATBIZ-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033661007 799777127 /nfs/dbraw/zinc/77/71/27/799777127.db2.gz JZAMQLAQZATBIZ-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033661007 799777128 /nfs/dbraw/zinc/77/71/28/799777128.db2.gz JZAMQLAQZATBIZ-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033661006 799778655 /nfs/dbraw/zinc/77/86/55/799778655.db2.gz JZAMQLAQZATBIZ-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033661006 799778658 /nfs/dbraw/zinc/77/86/58/799778658.db2.gz JZAMQLAQZATBIZ-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033661006 799778662 /nfs/dbraw/zinc/77/86/62/799778662.db2.gz JZAMQLAQZATBIZ-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033661006 799778664 /nfs/dbraw/zinc/77/86/64/799778664.db2.gz JZAMQLAQZATBIZ-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CCO)C1 ZINC001033671147 799779079 /nfs/dbraw/zinc/77/90/79/799779079.db2.gz ZLNARQDQGIJVTM-GFCCVEGCSA-N 2 1 266.345 -0.283 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033671147 799779082 /nfs/dbraw/zinc/77/90/82/799779082.db2.gz ZLNARQDQGIJVTM-GFCCVEGCSA-N 2 1 266.345 -0.283 20 0 CBADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033867922 799796070 /nfs/dbraw/zinc/79/60/70/799796070.db2.gz AESJDHFCGBBRSI-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033867922 799796076 /nfs/dbraw/zinc/79/60/76/799796076.db2.gz AESJDHFCGBBRSI-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@@H]1CC[NH+](CCO)C1 ZINC001033867922 799796079 /nfs/dbraw/zinc/79/60/79/799796079.db2.gz AESJDHFCGBBRSI-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@@H]1CC[NH+](CCO)C1 ZINC001033867922 799796084 /nfs/dbraw/zinc/79/60/84/799796084.db2.gz AESJDHFCGBBRSI-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](CCO)C2)O1 ZINC001034271448 799827250 /nfs/dbraw/zinc/82/72/50/799827250.db2.gz IYHPBZLGCFICMA-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](CCO)C2)O1 ZINC001034271448 799827255 /nfs/dbraw/zinc/82/72/55/799827255.db2.gz IYHPBZLGCFICMA-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@H+](CCO)C2)O1 ZINC001034271448 799827261 /nfs/dbraw/zinc/82/72/61/799827261.db2.gz IYHPBZLGCFICMA-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCO)C2)O1 ZINC001034271448 799827267 /nfs/dbraw/zinc/82/72/67/799827267.db2.gz IYHPBZLGCFICMA-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001034606925 799848084 /nfs/dbraw/zinc/84/80/84/799848084.db2.gz IBCUXNKNAJUYAF-FDYHWXHSSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)CC[N@H+]1C ZINC001034647531 799850467 /nfs/dbraw/zinc/85/04/67/799850467.db2.gz KGUKODACOOORKA-FDYHWXHSSA-N 2 1 296.415 -0.171 20 0 CBADMP CN1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](CC3CC3)CCO2)C1 ZINC001035325839 799892143 /nfs/dbraw/zinc/89/21/43/799892143.db2.gz DCAQCQXFVQNNMN-KBPBESRZSA-N 2 1 297.399 -0.456 20 0 CBADMP CN1CCO[C@H](C(=O)NC[C@H]2CN(CC3CC3)CCO2)C1 ZINC001035325839 799892150 /nfs/dbraw/zinc/89/21/50/799892150.db2.gz DCAQCQXFVQNNMN-KBPBESRZSA-N 2 1 297.399 -0.456 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](CCCO)CCO2)C1 ZINC001035613377 799953129 /nfs/dbraw/zinc/95/31/29/799953129.db2.gz IZGCISCFGLBLBW-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](CCCO)CCO2)C1 ZINC001035613377 799953131 /nfs/dbraw/zinc/95/31/31/799953131.db2.gz IZGCISCFGLBLBW-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)C1 ZINC001035613377 799953134 /nfs/dbraw/zinc/95/31/34/799953134.db2.gz IZGCISCFGLBLBW-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)C1 ZINC001035613377 799953140 /nfs/dbraw/zinc/95/31/40/799953140.db2.gz IZGCISCFGLBLBW-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001036294475 799986444 /nfs/dbraw/zinc/98/64/44/799986444.db2.gz RIRDHASESVTYMV-CMPLNLGQSA-N 2 1 293.371 -0.497 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036895654 800012544 /nfs/dbraw/zinc/01/25/44/800012544.db2.gz BQTITVNNEZFWHK-ZIAGYGMSSA-N 2 1 281.400 -0.003 20 0 CBADMP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001038134128 800060204 /nfs/dbraw/zinc/06/02/04/800060204.db2.gz DYQMZZSZBNSYQB-RYUDHWBXSA-N 2 1 271.361 -0.846 20 0 CBADMP COCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001038134128 800060212 /nfs/dbraw/zinc/06/02/12/800060212.db2.gz DYQMZZSZBNSYQB-RYUDHWBXSA-N 2 1 271.361 -0.846 20 0 CBADMP CN1CCO[C@H](C(=O)NC[C@H]2CC[N@H+]2CCCF)C1 ZINC001038137278 800060631 /nfs/dbraw/zinc/06/06/31/800060631.db2.gz OWSYURIPZACLPH-NEPJUHHUSA-N 2 1 273.352 -0.133 20 0 CBADMP CN1CCO[C@H](C(=O)NC[C@H]2CCN2CCCF)C1 ZINC001038137278 800060639 /nfs/dbraw/zinc/06/06/39/800060639.db2.gz OWSYURIPZACLPH-NEPJUHHUSA-N 2 1 273.352 -0.133 20 0 CBADMP CN1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCCF)C1 ZINC001038137282 800061318 /nfs/dbraw/zinc/06/13/18/800061318.db2.gz OWSYURIPZACLPH-RYUDHWBXSA-N 2 1 273.352 -0.133 20 0 CBADMP CN1CCO[C@H](C(=O)NC[C@@H]2CCN2CCCF)C1 ZINC001038137282 800061326 /nfs/dbraw/zinc/06/13/26/800061326.db2.gz OWSYURIPZACLPH-RYUDHWBXSA-N 2 1 273.352 -0.133 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[N@@H+]2CCO)n1 ZINC001038261226 800088012 /nfs/dbraw/zinc/08/80/12/800088012.db2.gz YKPDMHYVBPFLTC-GFCCVEGCSA-N 2 1 295.387 -0.759 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[N@H+]2CCO)n1 ZINC001038261226 800088019 /nfs/dbraw/zinc/08/80/19/800088019.db2.gz YKPDMHYVBPFLTC-GFCCVEGCSA-N 2 1 295.387 -0.759 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+]1CCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001038260998 800088625 /nfs/dbraw/zinc/08/86/25/800088625.db2.gz IPYPJKGSLRQZOH-QWHCGFSZSA-N 2 1 267.373 -0.489 20 0 CBADMP O=C(NC[C@@H]1CC[N@@H+]1CCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001038260998 800088631 /nfs/dbraw/zinc/08/86/31/800088631.db2.gz IPYPJKGSLRQZOH-QWHCGFSZSA-N 2 1 267.373 -0.489 20 0 CBADMP O=C(NC[C@H]1CC[N@H+]1CCO)C12CCC[NH+]1CCC2 ZINC001038456088 800115080 /nfs/dbraw/zinc/11/50/80/800115080.db2.gz VHQCCPIWTURRIM-GFCCVEGCSA-N 2 1 267.373 -0.202 20 0 CBADMP O=C(NC[C@H]1CC[N@@H+]1CCO)C12CCC[NH+]1CCC2 ZINC001038456088 800115084 /nfs/dbraw/zinc/11/50/84/800115084.db2.gz VHQCCPIWTURRIM-GFCCVEGCSA-N 2 1 267.373 -0.202 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCn2cncn2)C1 ZINC001039026525 801278889 /nfs/dbraw/zinc/27/88/89/801278889.db2.gz GSEBZAJHFMRIPA-OLZOCXBDSA-N 2 1 292.387 -0.580 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCn2cncn2)C1 ZINC001039026525 801278896 /nfs/dbraw/zinc/27/88/96/801278896.db2.gz GSEBZAJHFMRIPA-OLZOCXBDSA-N 2 1 292.387 -0.580 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)C1 ZINC001039026525 801278901 /nfs/dbraw/zinc/27/89/01/801278901.db2.gz GSEBZAJHFMRIPA-OLZOCXBDSA-N 2 1 292.387 -0.580 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)C1 ZINC001039026525 801278906 /nfs/dbraw/zinc/27/89/06/801278906.db2.gz GSEBZAJHFMRIPA-OLZOCXBDSA-N 2 1 292.387 -0.580 20 0 CBADMP CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1)[NH+](C)C ZINC001041402039 801394756 /nfs/dbraw/zinc/39/47/56/801394756.db2.gz FNBPWKGCHPOEPS-DOMZBBRYSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCO)C1 ZINC001046197860 801738544 /nfs/dbraw/zinc/73/85/44/801738544.db2.gz RSRBTTDPVHIQEZ-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CCO)C1 ZINC001046197860 801738550 /nfs/dbraw/zinc/73/85/50/801738550.db2.gz RSRBTTDPVHIQEZ-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001046197860 801738556 /nfs/dbraw/zinc/73/85/56/801738556.db2.gz RSRBTTDPVHIQEZ-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001046330285 801753444 /nfs/dbraw/zinc/75/34/44/801753444.db2.gz YNZVHPVZFSPUEO-GYSYKLTISA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001046330285 801753449 /nfs/dbraw/zinc/75/34/49/801753449.db2.gz YNZVHPVZFSPUEO-GYSYKLTISA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001046330285 801753456 /nfs/dbraw/zinc/75/34/56/801753456.db2.gz YNZVHPVZFSPUEO-GYSYKLTISA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001046330285 801753461 /nfs/dbraw/zinc/75/34/61/801753461.db2.gz YNZVHPVZFSPUEO-GYSYKLTISA-N 2 1 282.388 -0.608 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)C1 ZINC001046569019 801774904 /nfs/dbraw/zinc/77/49/04/801774904.db2.gz XALILFBICUSAGH-ZFWWWQNUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)C1 ZINC001046569019 801774906 /nfs/dbraw/zinc/77/49/06/801774906.db2.gz XALILFBICUSAGH-ZFWWWQNUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCO)C2)C1 ZINC001046569019 801774911 /nfs/dbraw/zinc/77/49/11/801774911.db2.gz XALILFBICUSAGH-ZFWWWQNUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)C1 ZINC001046569019 801774914 /nfs/dbraw/zinc/77/49/14/801774914.db2.gz XALILFBICUSAGH-ZFWWWQNUSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001046569659 801775930 /nfs/dbraw/zinc/77/59/30/801775930.db2.gz KVBSBORASBZXHB-HUBLWGQQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001046569659 801775934 /nfs/dbraw/zinc/77/59/34/801775934.db2.gz KVBSBORASBZXHB-HUBLWGQQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001046569659 801775940 /nfs/dbraw/zinc/77/59/40/801775940.db2.gz KVBSBORASBZXHB-HUBLWGQQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001046569659 801775944 /nfs/dbraw/zinc/77/59/44/801775944.db2.gz KVBSBORASBZXHB-HUBLWGQQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046589273 801777716 /nfs/dbraw/zinc/77/77/16/801777716.db2.gz ZIMSNYYBPNREFI-ABAIWWIYSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046589273 801777719 /nfs/dbraw/zinc/77/77/19/801777719.db2.gz ZIMSNYYBPNREFI-ABAIWWIYSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001046831948 801795664 /nfs/dbraw/zinc/79/56/64/801795664.db2.gz SPOJQXVCXICNCJ-ZWNOBZJWSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001046831948 801795668 /nfs/dbraw/zinc/79/56/68/801795668.db2.gz SPOJQXVCXICNCJ-ZWNOBZJWSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)C1 ZINC001046831948 801795671 /nfs/dbraw/zinc/79/56/71/801795671.db2.gz SPOJQXVCXICNCJ-ZWNOBZJWSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)C1 ZINC001046831948 801795674 /nfs/dbraw/zinc/79/56/74/801795674.db2.gz SPOJQXVCXICNCJ-ZWNOBZJWSA-N 2 1 268.361 -0.996 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046846313 801797388 /nfs/dbraw/zinc/79/73/88/801797388.db2.gz SRLOPDSOXSGBIJ-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046846313 801797392 /nfs/dbraw/zinc/79/73/92/801797392.db2.gz SRLOPDSOXSGBIJ-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCCO)C2)C1 ZINC001046846313 801797397 /nfs/dbraw/zinc/79/73/97/801797397.db2.gz SRLOPDSOXSGBIJ-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCO)C2)C1 ZINC001046846313 801797405 /nfs/dbraw/zinc/79/74/05/801797405.db2.gz SRLOPDSOXSGBIJ-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)C1 ZINC001046845204 801797736 /nfs/dbraw/zinc/79/77/36/801797736.db2.gz JDPNQYMGJYBVMI-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)C1 ZINC001046845204 801797744 /nfs/dbraw/zinc/79/77/44/801797744.db2.gz JDPNQYMGJYBVMI-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCO)C2)C1 ZINC001046845204 801797751 /nfs/dbraw/zinc/79/77/51/801797751.db2.gz JDPNQYMGJYBVMI-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)C1 ZINC001046845204 801797756 /nfs/dbraw/zinc/79/77/56/801797756.db2.gz JDPNQYMGJYBVMI-TZMCWYRMSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001047324277 801834686 /nfs/dbraw/zinc/83/46/86/801834686.db2.gz MRJWMSKYVXKBLS-SRVKXCTJSA-N 2 1 255.362 -0.396 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001047324277 801834690 /nfs/dbraw/zinc/83/46/90/801834690.db2.gz MRJWMSKYVXKBLS-SRVKXCTJSA-N 2 1 255.362 -0.396 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001047324277 801834695 /nfs/dbraw/zinc/83/46/95/801834695.db2.gz MRJWMSKYVXKBLS-SRVKXCTJSA-N 2 1 255.362 -0.396 20 0 CBADMP CCCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047333794 801841199 /nfs/dbraw/zinc/84/11/99/801841199.db2.gz OXNYHCCKTNBVLL-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047333794 801841205 /nfs/dbraw/zinc/84/12/05/801841205.db2.gz OXNYHCCKTNBVLL-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001047333794 801841213 /nfs/dbraw/zinc/84/12/13/801841213.db2.gz OXNYHCCKTNBVLL-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001047333794 801841221 /nfs/dbraw/zinc/84/12/21/801841221.db2.gz OXNYHCCKTNBVLL-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047383749 801857850 /nfs/dbraw/zinc/85/78/50/801857850.db2.gz ORPZMHDABRUMRM-IHRRRGAJSA-N 2 1 281.400 -0.148 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047384843 801859313 /nfs/dbraw/zinc/85/93/13/801859313.db2.gz JUAIHESFXAECEY-NDBYEHHHSA-N 2 1 269.389 -0.150 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001047384843 801859321 /nfs/dbraw/zinc/85/93/21/801859321.db2.gz JUAIHESFXAECEY-NDBYEHHHSA-N 2 1 269.389 -0.150 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047384843 801859329 /nfs/dbraw/zinc/85/93/29/801859329.db2.gz JUAIHESFXAECEY-NDBYEHHHSA-N 2 1 269.389 -0.150 20 0 CBADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047401574 801864061 /nfs/dbraw/zinc/86/40/61/801864061.db2.gz XTPPOHOIAMDXFR-IHRRRGAJSA-N 2 1 299.415 -0.643 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047401574 801864068 /nfs/dbraw/zinc/86/40/68/801864068.db2.gz XTPPOHOIAMDXFR-IHRRRGAJSA-N 2 1 299.415 -0.643 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047401574 801864077 /nfs/dbraw/zinc/86/40/77/801864077.db2.gz XTPPOHOIAMDXFR-IHRRRGAJSA-N 2 1 299.415 -0.643 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047401574 801864086 /nfs/dbraw/zinc/86/40/86/801864086.db2.gz XTPPOHOIAMDXFR-IHRRRGAJSA-N 2 1 299.415 -0.643 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001047493555 801884788 /nfs/dbraw/zinc/88/47/88/801884788.db2.gz NFAUJKXBBBDXDW-RFGFWPKPSA-N 2 1 299.415 -0.645 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001047493555 801884793 /nfs/dbraw/zinc/88/47/93/801884793.db2.gz NFAUJKXBBBDXDW-RFGFWPKPSA-N 2 1 299.415 -0.645 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001047493555 801884799 /nfs/dbraw/zinc/88/47/99/801884799.db2.gz NFAUJKXBBBDXDW-RFGFWPKPSA-N 2 1 299.415 -0.645 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001047493555 801884805 /nfs/dbraw/zinc/88/48/05/801884805.db2.gz NFAUJKXBBBDXDW-RFGFWPKPSA-N 2 1 299.415 -0.645 20 0 CBADMP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047499198 801887054 /nfs/dbraw/zinc/88/70/54/801887054.db2.gz BGTBPLRPXSOQSG-IHRRRGAJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047499198 801887061 /nfs/dbraw/zinc/88/70/61/801887061.db2.gz BGTBPLRPXSOQSG-IHRRRGAJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001047499198 801887066 /nfs/dbraw/zinc/88/70/66/801887066.db2.gz BGTBPLRPXSOQSG-IHRRRGAJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001047499198 801887072 /nfs/dbraw/zinc/88/70/72/801887072.db2.gz BGTBPLRPXSOQSG-IHRRRGAJSA-N 2 1 299.415 -0.381 20 0 CBADMP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001047528445 801895018 /nfs/dbraw/zinc/89/50/18/801895018.db2.gz RFAXKTCQYPIQSE-IHRRRGAJSA-N 2 1 299.415 -0.522 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047597809 801908558 /nfs/dbraw/zinc/90/85/58/801908558.db2.gz GIFNQGVBPAILRV-AVGNSLFASA-N 2 1 269.389 -0.148 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001047597809 801908563 /nfs/dbraw/zinc/90/85/63/801908563.db2.gz GIFNQGVBPAILRV-AVGNSLFASA-N 2 1 269.389 -0.148 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047597809 801908568 /nfs/dbraw/zinc/90/85/68/801908568.db2.gz GIFNQGVBPAILRV-AVGNSLFASA-N 2 1 269.389 -0.148 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598723 801909455 /nfs/dbraw/zinc/90/94/55/801909455.db2.gz SWKRVTIFPZJWFU-RYUDHWBXSA-N 2 1 267.373 -0.394 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627088 801913798 /nfs/dbraw/zinc/91/37/98/801913798.db2.gz JNZMSZCZYATGIE-RDBSUJKOSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047628606 801915622 /nfs/dbraw/zinc/91/56/22/801915622.db2.gz HLKRSKWHXASOPW-AVGNSLFASA-N 2 1 269.389 -0.148 20 0 CBADMP CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001047628606 801915628 /nfs/dbraw/zinc/91/56/28/801915628.db2.gz HLKRSKWHXASOPW-AVGNSLFASA-N 2 1 269.389 -0.148 20 0 CBADMP CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047628606 801915633 /nfs/dbraw/zinc/91/56/33/801915633.db2.gz HLKRSKWHXASOPW-AVGNSLFASA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047627694 801916098 /nfs/dbraw/zinc/91/60/98/801916098.db2.gz URBXAXQYQGMUIW-KBPBESRZSA-N 2 1 281.400 -0.004 20 0 CBADMP COCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740296 801960828 /nfs/dbraw/zinc/96/08/28/801960828.db2.gz YFEBLOTZWKUBAW-MJBXVCDLSA-N 2 1 297.399 -0.646 20 0 CBADMP COCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740296 801960834 /nfs/dbraw/zinc/96/08/34/801960834.db2.gz YFEBLOTZWKUBAW-MJBXVCDLSA-N 2 1 297.399 -0.646 20 0 CBADMP COCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048740296 801960838 /nfs/dbraw/zinc/96/08/38/801960838.db2.gz YFEBLOTZWKUBAW-MJBXVCDLSA-N 2 1 297.399 -0.646 20 0 CBADMP COCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048740296 801960846 /nfs/dbraw/zinc/96/08/46/801960846.db2.gz YFEBLOTZWKUBAW-MJBXVCDLSA-N 2 1 297.399 -0.646 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001048896982 801978736 /nfs/dbraw/zinc/97/87/36/801978736.db2.gz MISOAZLVNHXRRL-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048896982 801978738 /nfs/dbraw/zinc/97/87/38/801978738.db2.gz MISOAZLVNHXRRL-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048896982 801978743 /nfs/dbraw/zinc/97/87/43/801978743.db2.gz MISOAZLVNHXRRL-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001048939024 801982040 /nfs/dbraw/zinc/98/20/40/801982040.db2.gz ZVDFIQGAIVGXDR-MELADBBJSA-N 2 1 292.383 -0.037 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001048939024 801982048 /nfs/dbraw/zinc/98/20/48/801982048.db2.gz ZVDFIQGAIVGXDR-MELADBBJSA-N 2 1 292.383 -0.037 20 0 CBADMP 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 802006736 /nfs/dbraw/zinc/00/67/36/802006736.db2.gz CLBXVPKQTLGLDD-ZDEQEGDKSA-N 2 1 294.399 -0.798 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049212595 802006744 /nfs/dbraw/zinc/00/67/44/802006744.db2.gz CLBXVPKQTLGLDD-ZDEQEGDKSA-N 2 1 294.399 -0.798 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050204431 802058204 /nfs/dbraw/zinc/05/82/04/802058204.db2.gz ZGYVOBVOLCSSIQ-UONOGXRCSA-N 2 1 281.400 -0.003 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC3CC3)C2)C1 ZINC001051513639 802149756 /nfs/dbraw/zinc/14/97/56/802149756.db2.gz DPDFTLWXTHDRNG-KBPBESRZSA-N 2 1 297.399 -0.456 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC3CC3)C2)C1 ZINC001051513639 802149763 /nfs/dbraw/zinc/14/97/63/802149763.db2.gz DPDFTLWXTHDRNG-KBPBESRZSA-N 2 1 297.399 -0.456 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH2+]CC3CC3)C2)C1 ZINC001051513641 802150356 /nfs/dbraw/zinc/15/03/56/802150356.db2.gz DPDFTLWXTHDRNG-KGLIPLIRSA-N 2 1 297.399 -0.456 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH2+]CC3CC3)C2)C1 ZINC001051513641 802150360 /nfs/dbraw/zinc/15/03/60/802150360.db2.gz DPDFTLWXTHDRNG-KGLIPLIRSA-N 2 1 297.399 -0.456 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052248873 802188196 /nfs/dbraw/zinc/18/81/96/802188196.db2.gz BBJABZOKKCNAIV-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001052248873 802188204 /nfs/dbraw/zinc/18/82/04/802188204.db2.gz BBJABZOKKCNAIV-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001052248873 802188209 /nfs/dbraw/zinc/18/82/09/802188209.db2.gz BBJABZOKKCNAIV-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC001052498402 802201313 /nfs/dbraw/zinc/20/13/13/802201313.db2.gz HICXXGXHEFVCIF-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052498402 802201318 /nfs/dbraw/zinc/20/13/18/802201318.db2.gz HICXXGXHEFVCIF-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052498402 802201324 /nfs/dbraw/zinc/20/13/24/802201324.db2.gz HICXXGXHEFVCIF-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052932802 802224594 /nfs/dbraw/zinc/22/45/94/802224594.db2.gz SEZZTKACKSFVGF-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)C1 ZINC001052932802 802224599 /nfs/dbraw/zinc/22/45/99/802224599.db2.gz SEZZTKACKSFVGF-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC001052932802 802224606 /nfs/dbraw/zinc/22/46/06/802224606.db2.gz SEZZTKACKSFVGF-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052934313 802224772 /nfs/dbraw/zinc/22/47/72/802224772.db2.gz IYANZOXPQSOXHS-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216060 814934805 /nfs/dbraw/zinc/93/48/05/814934805.db2.gz LBWQOLKELYIJQD-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP OCC[NH2+]C1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001119619330 812837231 /nfs/dbraw/zinc/83/72/31/812837231.db2.gz ZJRGMGGYJRHQPV-CYBMUJFWSA-N 2 1 268.361 -0.710 20 0 CBADMP NC(=O)CC[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001119683161 812866128 /nfs/dbraw/zinc/86/61/28/812866128.db2.gz ZHDPIWYIQGKGIX-BJDJZHNGSA-N 2 1 255.362 -0.186 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001122126629 813121234 /nfs/dbraw/zinc/12/12/34/813121234.db2.gz JJNXJDFSNMXGKA-FVCCEPFGSA-N 2 1 266.389 -0.287 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328161 813837711 /nfs/dbraw/zinc/83/77/11/813837711.db2.gz MFXDGONJKPNDBG-QWHCGFSZSA-N 2 1 298.431 -0.195 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001129341808 813838272 /nfs/dbraw/zinc/83/82/72/813838272.db2.gz ZQMUBAHYZPVPAB-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP C[NH+](C)CCC(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001133294368 814238420 /nfs/dbraw/zinc/23/84/20/814238420.db2.gz FYSKHZLNJGNUPV-UHFFFAOYSA-N 2 1 286.355 -0.595 20 0 CBADMP CN(CC(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2)C(N)=[NH2+] ZINC001144130058 814773244 /nfs/dbraw/zinc/77/32/44/814773244.db2.gz IOIUZTDUZKRESY-UHFFFAOYSA-N 2 1 279.388 -0.244 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)COC ZINC001148571094 814951118 /nfs/dbraw/zinc/95/11/18/814951118.db2.gz VXBRIRDJEGTFLM-LBPRGKRZSA-N 2 1 275.393 -0.569 20 0 CBADMP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1ncnn1C ZINC001148570801 814950520 /nfs/dbraw/zinc/95/05/20/814950520.db2.gz MOKPRPJKCDWPLM-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ncnn1C ZINC001148570801 814950521 /nfs/dbraw/zinc/95/05/21/814950521.db2.gz MOKPRPJKCDWPLM-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001148638823 814953946 /nfs/dbraw/zinc/95/39/46/814953946.db2.gz TXQNVUYEUBRIOJ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001148642447 814954350 /nfs/dbraw/zinc/95/43/50/814954350.db2.gz JGKOJJOKVNTAMZ-JTQLQIEISA-N 2 1 283.380 -0.681 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001148642447 814954352 /nfs/dbraw/zinc/95/43/52/814954352.db2.gz JGKOJJOKVNTAMZ-JTQLQIEISA-N 2 1 283.380 -0.681 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001148638057 814954778 /nfs/dbraw/zinc/95/47/78/814954778.db2.gz ADMROIDXLGXLQU-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001148655007 814956443 /nfs/dbraw/zinc/95/64/43/814956443.db2.gz FFXNAWQKFMSUOH-ZDUSSCGKSA-N 2 1 297.403 -0.708 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001148654802 814956580 /nfs/dbraw/zinc/95/65/80/814956580.db2.gz AUNZLXTWAFMDIJ-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001321745801 803810106 /nfs/dbraw/zinc/81/01/06/803810106.db2.gz AVUYSZNODOTFPS-RKDXNWHRSA-N 2 1 267.333 -0.840 20 0 CBADMP C[C@@H](C[N@@H+](C)CCOCCO)NC(=O)[C@@H]1CCC[NH+]1C ZINC001322131286 803866061 /nfs/dbraw/zinc/86/60/61/803866061.db2.gz XGFMCNMAOKUQCM-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](C[NH+](C)CCOCCO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001322131286 803866066 /nfs/dbraw/zinc/86/60/66/803866066.db2.gz XGFMCNMAOKUQCM-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](C[NH+](C)CCOCCO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001322131286 803866072 /nfs/dbraw/zinc/86/60/72/803866072.db2.gz XGFMCNMAOKUQCM-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001322442570 803897304 /nfs/dbraw/zinc/89/73/04/803897304.db2.gz MTLSZTNUMYDXLW-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP C[NH+](CCCC[N@H+](C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC001323168360 803982830 /nfs/dbraw/zinc/98/28/30/803982830.db2.gz HHNWFUOFWNNGBP-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CCO ZINC001324249759 804125522 /nfs/dbraw/zinc/12/55/22/804125522.db2.gz BUAAETOMIWZLQS-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP COCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001325759974 804313109 /nfs/dbraw/zinc/31/31/09/804313109.db2.gz BNUXCVBVVAGPOQ-BETUJISGSA-N 2 1 269.389 -0.025 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)CCC1 ZINC001149841918 815011337 /nfs/dbraw/zinc/01/13/37/815011337.db2.gz MNBPHWUCGPJVNI-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241555 815022115 /nfs/dbraw/zinc/02/21/15/815022115.db2.gz PXVKVFPSFYTLQK-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001151048667 815051405 /nfs/dbraw/zinc/05/14/05/815051405.db2.gz CXBYADWRLLLXSQ-GFCCVEGCSA-N 2 1 282.388 -0.830 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CCC2)C1 ZINC001151048617 815052983 /nfs/dbraw/zinc/05/29/83/815052983.db2.gz CSLOBMBYXJCUMT-ZDUSSCGKSA-N 2 1 296.415 -0.440 20 0 CBADMP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001151055993 815054032 /nfs/dbraw/zinc/05/40/32/815054032.db2.gz JTBPRGYJUWFOCC-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001151064979 815054208 /nfs/dbraw/zinc/05/42/08/815054208.db2.gz GLDGPJIOPKRQGB-WCQYABFASA-N 2 1 296.415 -0.441 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049710 815055619 /nfs/dbraw/zinc/05/56/19/815055619.db2.gz WXLYHQSEVWUSPP-LLVKDONJSA-N 2 1 270.377 -0.878 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001151065845 815056139 /nfs/dbraw/zinc/05/61/39/815056139.db2.gz NPYDRZXNBYEXGR-RYUDHWBXSA-N 2 1 255.362 -0.320 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073058 815056237 /nfs/dbraw/zinc/05/62/37/815056237.db2.gz FLOXZFMYCDHRLO-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)c1nncn1C ZINC001151065489 815056373 /nfs/dbraw/zinc/05/63/73/815056373.db2.gz KGSLNTCVZJUEIH-GHMZBOCLSA-N 2 1 280.376 -0.466 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1nncn1C ZINC001151065489 815056379 /nfs/dbraw/zinc/05/63/79/815056379.db2.gz KGSLNTCVZJUEIH-GHMZBOCLSA-N 2 1 280.376 -0.466 20 0 CBADMP CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065648 815056679 /nfs/dbraw/zinc/05/66/79/815056679.db2.gz LUVMBIZMXCWEGO-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065647 815057322 /nfs/dbraw/zinc/05/73/22/815057322.db2.gz LUVMBIZMXCWEGO-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001151065929 815057428 /nfs/dbraw/zinc/05/74/28/815057428.db2.gz OFZVZUYNVAFATN-LBPRGKRZSA-N 2 1 298.431 -0.194 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001151073458 815057608 /nfs/dbraw/zinc/05/76/08/815057608.db2.gz LPLDORUUFRXPHB-NEPJUHHUSA-N 2 1 298.431 -0.053 20 0 CBADMP Cc1ncc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001151065175 815057799 /nfs/dbraw/zinc/05/77/99/815057799.db2.gz HXHVDMAIAUYSAV-CYBMUJFWSA-N 2 1 277.372 -0.057 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001151147428 815063199 /nfs/dbraw/zinc/06/31/99/815063199.db2.gz NLBMOUMGNSPITN-UHFFFAOYSA-N 2 1 293.371 -0.482 20 0 CBADMP CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151074064 815058628 /nfs/dbraw/zinc/05/86/28/815058628.db2.gz UPBDTOKNANHQHB-QWHCGFSZSA-N 2 1 298.431 -0.195 20 0 CBADMP O=C(C[NH+]1CCCC1)NCC[NH2+]Cc1ncnn1CCF ZINC001151096757 815059981 /nfs/dbraw/zinc/05/99/81/815059981.db2.gz FMESQPWFPIYAPG-UHFFFAOYSA-N 2 1 298.366 -0.451 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001151115435 815061467 /nfs/dbraw/zinc/06/14/67/815061467.db2.gz XDGBLTRCEPDEBC-NSHDSACASA-N 2 1 279.344 -0.824 20 0 CBADMP CCn1nc(C)c(C[NH2+]CCNC(=O)C[NH+]2CCCC2)n1 ZINC001151101522 815061965 /nfs/dbraw/zinc/06/19/65/815061965.db2.gz QQZGKGMNOUGORP-UHFFFAOYSA-N 2 1 294.403 -0.092 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151114467 815062750 /nfs/dbraw/zinc/06/27/50/815062750.db2.gz NGAUPNCVCYIYSS-UHFFFAOYSA-N 2 1 284.360 -0.440 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151122247 815063842 /nfs/dbraw/zinc/06/38/42/815063842.db2.gz PGLGUEMIHJTLNR-UHFFFAOYSA-N 2 1 281.360 -0.576 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001151147002 815064150 /nfs/dbraw/zinc/06/41/50/815064150.db2.gz CRVFRCMJOORUJA-UHFFFAOYSA-N 2 1 293.371 -0.480 20 0 CBADMP CCCC[C@@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001151123036 815064173 /nfs/dbraw/zinc/06/41/73/815064173.db2.gz ZSEBKAJBWRZFSB-GFCCVEGCSA-N 2 1 295.387 -0.059 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)CC[N@@H+]1C ZINC001072752014 805332918 /nfs/dbraw/zinc/33/29/18/805332918.db2.gz PPZGZINAJXSWAH-VXGBXAGGSA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)CC[N@H+]1C ZINC001072752014 805332926 /nfs/dbraw/zinc/33/29/26/805332926.db2.gz PPZGZINAJXSWAH-VXGBXAGGSA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CC[NH+]1C ZINC001072752014 805332933 /nfs/dbraw/zinc/33/29/33/805332933.db2.gz PPZGZINAJXSWAH-VXGBXAGGSA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CC[NH+]1C ZINC001072752014 805332941 /nfs/dbraw/zinc/33/29/41/805332941.db2.gz PPZGZINAJXSWAH-VXGBXAGGSA-N 2 1 294.399 -0.654 20 0 CBADMP CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC)C2)[NH+](C)C ZINC001072848600 805340499 /nfs/dbraw/zinc/34/04/99/805340499.db2.gz CNTNBSNFRJAOKR-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC)C2)[NH+](C)C ZINC001072848600 805340506 /nfs/dbraw/zinc/34/05/06/805340506.db2.gz CNTNBSNFRJAOKR-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@H](C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(N)=O)C2)[NH+](C)C ZINC001072850937 805340742 /nfs/dbraw/zinc/34/07/42/805340742.db2.gz FCVWBBNNKUUBNJ-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(N)=O)C2)[NH+](C)C ZINC001072989105 805352622 /nfs/dbraw/zinc/35/26/22/805352622.db2.gz FCVWBBNNKUUBNJ-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2)[NH+](C)C ZINC001072991169 805353058 /nfs/dbraw/zinc/35/30/58/805353058.db2.gz PEFXBMRWNGPXAJ-NSHDSACASA-N 2 1 282.388 -0.654 20 0 CBADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2)[NH+](C)C ZINC001072991169 805353067 /nfs/dbraw/zinc/35/30/67/805353067.db2.gz PEFXBMRWNGPXAJ-NSHDSACASA-N 2 1 282.388 -0.654 20 0 CBADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCO)C2)[NH+](C)C ZINC001072989673 805353398 /nfs/dbraw/zinc/35/33/98/805353398.db2.gz LULPSSQHSNTHMR-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001072982819 805353980 /nfs/dbraw/zinc/35/39/80/805353980.db2.gz BKPYVNKJVDDRCW-LBPRGKRZSA-N 2 1 294.399 -0.652 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001072982819 805353983 /nfs/dbraw/zinc/35/39/83/805353983.db2.gz BKPYVNKJVDDRCW-LBPRGKRZSA-N 2 1 294.399 -0.652 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1 ZINC001072982819 805353992 /nfs/dbraw/zinc/35/39/92/805353992.db2.gz BKPYVNKJVDDRCW-LBPRGKRZSA-N 2 1 294.399 -0.652 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1 ZINC001072982819 805354002 /nfs/dbraw/zinc/35/40/02/805354002.db2.gz BKPYVNKJVDDRCW-LBPRGKRZSA-N 2 1 294.399 -0.652 20 0 CBADMP O=C(N1CC2(C1)CC[N@H+](CCO)C2)[C@@]12CC[NH+](C1)CCC2 ZINC001073154359 805363153 /nfs/dbraw/zinc/36/31/53/805363153.db2.gz UZENRKIBWSQSEW-INIZCTEOSA-N 2 1 293.411 -0.001 20 0 CBADMP O=C(N1CC2(C1)CC[NH+](CCO)C2)[C@@]12CC[N@H+](C1)CCC2 ZINC001073154359 805363163 /nfs/dbraw/zinc/36/31/63/805363163.db2.gz UZENRKIBWSQSEW-INIZCTEOSA-N 2 1 293.411 -0.001 20 0 CBADMP O=C(N1CC2(C1)CC[NH+](CCO)C2)[C@@]12CC[N@@H+](C1)CCC2 ZINC001073154359 805363172 /nfs/dbraw/zinc/36/31/72/805363172.db2.gz UZENRKIBWSQSEW-INIZCTEOSA-N 2 1 293.411 -0.001 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073430382 805370110 /nfs/dbraw/zinc/37/01/10/805370110.db2.gz DRYUJUVKWDSYIL-UHFFFAOYSA-N 2 1 281.400 -0.001 20 0 CBADMP C[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073426154 805370773 /nfs/dbraw/zinc/37/07/73/805370773.db2.gz RYPIFXNTSVSDRA-QWHCGFSZSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001073426154 805370779 /nfs/dbraw/zinc/37/07/79/805370779.db2.gz RYPIFXNTSVSDRA-QWHCGFSZSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426154 805370789 /nfs/dbraw/zinc/37/07/89/805370789.db2.gz RYPIFXNTSVSDRA-QWHCGFSZSA-N 2 1 281.400 -0.147 20 0 CBADMP CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073563702 805386658 /nfs/dbraw/zinc/38/66/58/805386658.db2.gz HSDBVLPFSPURFB-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073563702 805386664 /nfs/dbraw/zinc/38/66/64/805386664.db2.gz HSDBVLPFSPURFB-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073563702 805386672 /nfs/dbraw/zinc/38/66/72/805386672.db2.gz HSDBVLPFSPURFB-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073563702 805386679 /nfs/dbraw/zinc/38/66/79/805386679.db2.gz HSDBVLPFSPURFB-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCCO1 ZINC001073661663 805404801 /nfs/dbraw/zinc/40/48/01/805404801.db2.gz BLSNOCINWVQCAG-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001073661663 805404805 /nfs/dbraw/zinc/40/48/05/805404805.db2.gz BLSNOCINWVQCAG-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001073661663 805404810 /nfs/dbraw/zinc/40/48/10/805404810.db2.gz BLSNOCINWVQCAG-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073890999 805421059 /nfs/dbraw/zinc/42/10/59/805421059.db2.gz KONUZPITDFCUSK-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073890999 805421064 /nfs/dbraw/zinc/42/10/64/805421064.db2.gz KONUZPITDFCUSK-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073890999 805421067 /nfs/dbraw/zinc/42/10/67/805421067.db2.gz KONUZPITDFCUSK-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C)CC[N@H+]1C ZINC001074661859 805464260 /nfs/dbraw/zinc/46/42/60/805464260.db2.gz OREARHONMBKIIT-KXNHARMFSA-N 2 1 282.388 -0.609 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001074832478 805474630 /nfs/dbraw/zinc/47/46/30/805474630.db2.gz SMFHXRAAVHXYTA-CYDGBPFRSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001074877477 805475808 /nfs/dbraw/zinc/47/58/08/805475808.db2.gz CDPRDGGMUKKALH-SRVKXCTJSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001075111494 805482959 /nfs/dbraw/zinc/48/29/59/805482959.db2.gz KTLKQRHEEZVVQK-RDBSUJKOSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)O1 ZINC001075940604 805544102 /nfs/dbraw/zinc/54/41/02/805544102.db2.gz YOOXYABDSJKSCW-XJFOESAGSA-N 2 1 297.399 -0.770 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)O1 ZINC001075940604 805544108 /nfs/dbraw/zinc/54/41/08/805544108.db2.gz YOOXYABDSJKSCW-XJFOESAGSA-N 2 1 297.399 -0.770 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)O1 ZINC001075940604 805544112 /nfs/dbraw/zinc/54/41/12/805544112.db2.gz YOOXYABDSJKSCW-XJFOESAGSA-N 2 1 297.399 -0.770 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)O1 ZINC001075940604 805544116 /nfs/dbraw/zinc/54/41/16/805544116.db2.gz YOOXYABDSJKSCW-XJFOESAGSA-N 2 1 297.399 -0.770 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOC(C)C)C1 ZINC001151737748 815089558 /nfs/dbraw/zinc/08/95/58/815089558.db2.gz FAFVGJNVRDPASB-CYBMUJFWSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOC(C)C)C1 ZINC001151737748 815089560 /nfs/dbraw/zinc/08/95/60/815089560.db2.gz FAFVGJNVRDPASB-CYBMUJFWSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCOC2)C1 ZINC001151738430 815090043 /nfs/dbraw/zinc/09/00/43/815090043.db2.gz IDUMBTYYQIOBLE-CHWSQXEVSA-N 2 1 285.388 -0.551 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCOC2)C1 ZINC001151738430 815090050 /nfs/dbraw/zinc/09/00/50/815090050.db2.gz IDUMBTYYQIOBLE-CHWSQXEVSA-N 2 1 285.388 -0.551 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)COC)C1 ZINC001151740909 815090373 /nfs/dbraw/zinc/09/03/73/815090373.db2.gz ZJHMDCSERMOZII-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)COC)C1 ZINC001151740909 815090379 /nfs/dbraw/zinc/09/03/79/815090379.db2.gz ZJHMDCSERMOZII-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1nncn1C ZINC001152138839 815106862 /nfs/dbraw/zinc/10/68/62/815106862.db2.gz ZVVAGXNSCLQQQB-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[N@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152391973 815119436 /nfs/dbraw/zinc/11/94/36/815119436.db2.gz HFSDFKLJNCPKAB-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152391973 815119439 /nfs/dbraw/zinc/11/94/39/815119439.db2.gz HFSDFKLJNCPKAB-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152391973 815119441 /nfs/dbraw/zinc/11/94/41/815119441.db2.gz HFSDFKLJNCPKAB-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152391973 815119444 /nfs/dbraw/zinc/11/94/44/815119444.db2.gz HFSDFKLJNCPKAB-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001152426714 815121522 /nfs/dbraw/zinc/12/15/22/815121522.db2.gz LPWIRRPSKGSYBJ-NSHDSACASA-N 2 1 282.392 -0.078 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001152426714 815121527 /nfs/dbraw/zinc/12/15/27/815121527.db2.gz LPWIRRPSKGSYBJ-NSHDSACASA-N 2 1 282.392 -0.078 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001152433264 815121550 /nfs/dbraw/zinc/12/15/50/815121550.db2.gz ZYUGQSYHYIOSGY-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001152439920 815121845 /nfs/dbraw/zinc/12/18/45/815121845.db2.gz VJYXHNRWGKDRQH-UHFFFAOYSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001152452045 815122325 /nfs/dbraw/zinc/12/23/25/815122325.db2.gz QUZQOYLQATYMJR-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC ZINC001152446254 815123313 /nfs/dbraw/zinc/12/33/13/815123313.db2.gz VQNDXXABUVBEMH-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCCO ZINC001152458615 815124158 /nfs/dbraw/zinc/12/41/58/815124158.db2.gz RRLNPLALJRSKPJ-GFCCVEGCSA-N 2 1 257.378 -0.051 20 0 CBADMP CC[N@H+](CCCO)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152551063 815129751 /nfs/dbraw/zinc/12/97/51/815129751.db2.gz LDILKDBAXSWFRO-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](CCCO)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152551063 815129757 /nfs/dbraw/zinc/12/97/57/815129757.db2.gz LDILKDBAXSWFRO-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCCO)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152551063 815129762 /nfs/dbraw/zinc/12/97/62/815129762.db2.gz LDILKDBAXSWFRO-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCCO)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152551063 815129766 /nfs/dbraw/zinc/12/97/66/815129766.db2.gz LDILKDBAXSWFRO-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+](C)Cc1ccccc1)C(N)=O ZINC001153320168 815158444 /nfs/dbraw/zinc/15/84/44/815158444.db2.gz KINOSRQQPOKLLU-LBPRGKRZSA-N 2 1 292.383 -0.302 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+](C)Cc1ccccc1)C(N)=O ZINC001153320168 815158447 /nfs/dbraw/zinc/15/84/47/815158447.db2.gz KINOSRQQPOKLLU-LBPRGKRZSA-N 2 1 292.383 -0.302 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023557 815257353 /nfs/dbraw/zinc/25/73/53/815257353.db2.gz JOCMCLPYLPIZKL-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023557 815257358 /nfs/dbraw/zinc/25/73/58/815257358.db2.gz JOCMCLPYLPIZKL-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255614 815273335 /nfs/dbraw/zinc/27/33/35/815273335.db2.gz WBPWDHAGTNWNHI-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255614 815273342 /nfs/dbraw/zinc/27/33/42/815273342.db2.gz WBPWDHAGTNWNHI-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155255614 815273348 /nfs/dbraw/zinc/27/33/48/815273348.db2.gz WBPWDHAGTNWNHI-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155255614 815273355 /nfs/dbraw/zinc/27/33/55/815273355.db2.gz WBPWDHAGTNWNHI-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP NC(=O)c1cncc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155373999 815279199 /nfs/dbraw/zinc/27/91/99/815279199.db2.gz VLLNJEFTORHCQT-LLVKDONJSA-N 2 1 290.371 -0.565 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001155789161 815310885 /nfs/dbraw/zinc/31/08/85/815310885.db2.gz ABKANVHLMBUBCS-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001155789160 815310905 /nfs/dbraw/zinc/31/09/05/815310905.db2.gz ABKANVHLMBUBCS-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001155789878 815311534 /nfs/dbraw/zinc/31/15/34/815311534.db2.gz GSOPWKOAPPPJOI-WDEREUQCSA-N 2 1 268.361 -0.935 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155789193 815311630 /nfs/dbraw/zinc/31/16/30/815311630.db2.gz BGUMTKMFEABORG-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001155790694 815312053 /nfs/dbraw/zinc/31/20/53/815312053.db2.gz MGEPWDOETMRYRR-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001155791032 815313281 /nfs/dbraw/zinc/31/32/81/815313281.db2.gz QZDHFDGTAJLRQU-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155812879 815314824 /nfs/dbraw/zinc/31/48/24/815314824.db2.gz OTGACXBUVUIZJO-QWRGUYRKSA-N 2 1 270.377 -0.689 20 0 CBADMP [NH3+]CCN(CCO)c1cc[nH+]c(N2CCOCC2)n1 ZINC001155953160 815324836 /nfs/dbraw/zinc/32/48/36/815324836.db2.gz QHZUHYUMBUNZBJ-UHFFFAOYSA-N 2 1 267.333 -0.929 20 0 CBADMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+](CC)CC(N)=O ZINC001155900423 815319942 /nfs/dbraw/zinc/31/99/42/815319942.db2.gz SBBSEPWTHVFLBR-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(N)=O ZINC001155900423 815319948 /nfs/dbraw/zinc/31/99/48/815319948.db2.gz SBBSEPWTHVFLBR-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP COC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156125961 815338753 /nfs/dbraw/zinc/33/87/53/815338753.db2.gz QZGCQGPIULWNOU-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP COC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156125961 815338760 /nfs/dbraw/zinc/33/87/60/815338760.db2.gz QZGCQGPIULWNOU-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC[C@H]2CCOC2)C1 ZINC001156145729 815339757 /nfs/dbraw/zinc/33/97/57/815339757.db2.gz OMPLZWAFCHAYHP-UONOGXRCSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC[C@H]2CCOC2)C1 ZINC001156145729 815339762 /nfs/dbraw/zinc/33/97/62/815339762.db2.gz OMPLZWAFCHAYHP-UONOGXRCSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC[C@H]2CCOC2)C1 ZINC001156145726 815340013 /nfs/dbraw/zinc/34/00/13/815340013.db2.gz OMPLZWAFCHAYHP-KBPBESRZSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC[C@H]2CCOC2)C1 ZINC001156145726 815340018 /nfs/dbraw/zinc/34/00/18/815340018.db2.gz OMPLZWAFCHAYHP-KBPBESRZSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[C@H](C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1)OC ZINC001156152208 815340777 /nfs/dbraw/zinc/34/07/77/815340777.db2.gz HUPONAGQUIJCLF-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@H](C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)OC ZINC001156152208 815340784 /nfs/dbraw/zinc/34/07/84/815340784.db2.gz HUPONAGQUIJCLF-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086101954 810241792 /nfs/dbraw/zinc/24/17/92/810241792.db2.gz CCIDLGKOQQTFEC-XQQFMLRXSA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086085285 810242039 /nfs/dbraw/zinc/24/20/39/810242039.db2.gz ZPZSEYZDXXCHPW-FRRDWIJNSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001086122479 810243452 /nfs/dbraw/zinc/24/34/52/810243452.db2.gz MUIDTEIIVKIPCB-FVCCEPFGSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086198366 810248524 /nfs/dbraw/zinc/24/85/24/810248524.db2.gz QYMJANLNGVYRSQ-NNYUYHANSA-N 2 1 282.388 -0.846 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001086270414 810253534 /nfs/dbraw/zinc/25/35/34/810253534.db2.gz DKELJUMRICMOOM-FVCCEPFGSA-N 2 1 296.415 -0.314 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086327739 810260388 /nfs/dbraw/zinc/26/03/88/810260388.db2.gz OSUSFVLHSVLQRC-ZDEQEGDKSA-N 2 1 294.399 -0.547 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCF)C2)C1 ZINC001086331625 810261460 /nfs/dbraw/zinc/26/14/60/810261460.db2.gz BBBCKFBOLRNACE-SRVKXCTJSA-N 2 1 273.352 -0.229 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCF)C2)C1 ZINC001086331625 810261465 /nfs/dbraw/zinc/26/14/65/810261465.db2.gz BBBCKFBOLRNACE-SRVKXCTJSA-N 2 1 273.352 -0.229 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001086327896 810261677 /nfs/dbraw/zinc/26/16/77/810261677.db2.gz TTYQTFBAADPRSV-ZDEQEGDKSA-N 2 1 296.415 -0.171 20 0 CBADMP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001086372955 810265874 /nfs/dbraw/zinc/26/58/74/810265874.db2.gz FGWGCQOYSMELLK-XUXIUFHCSA-N 2 1 297.399 -0.674 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086403038 810266684 /nfs/dbraw/zinc/26/66/84/810266684.db2.gz SAUNOEVAHDKUAE-AVGNSLFASA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001086402221 810267451 /nfs/dbraw/zinc/26/74/51/810267451.db2.gz MUIDTEIIVKIPCB-FDYHWXHSSA-N 2 1 296.415 -0.171 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001086456707 810272928 /nfs/dbraw/zinc/27/29/28/810272928.db2.gz SIAVEGXDZGIIHR-MGPQQGTHSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCO ZINC001087530114 810295639 /nfs/dbraw/zinc/29/56/39/810295639.db2.gz JYQGEZNMRXEIHI-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCCO ZINC001087530114 810295641 /nfs/dbraw/zinc/29/56/41/810295641.db2.gz JYQGEZNMRXEIHI-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCCO ZINC001087530114 810295643 /nfs/dbraw/zinc/29/56/43/810295643.db2.gz JYQGEZNMRXEIHI-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCO ZINC001087530114 810295644 /nfs/dbraw/zinc/29/56/44/810295644.db2.gz JYQGEZNMRXEIHI-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCO ZINC001087828882 810308570 /nfs/dbraw/zinc/30/85/70/810308570.db2.gz YFHCQMADODBGEH-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCO ZINC001087828882 810308575 /nfs/dbraw/zinc/30/85/75/810308575.db2.gz YFHCQMADODBGEH-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCO ZINC001087828882 810308580 /nfs/dbraw/zinc/30/85/80/810308580.db2.gz YFHCQMADODBGEH-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088201582 810322103 /nfs/dbraw/zinc/32/21/03/810322103.db2.gz JIUBFIYDZKTQFG-KGLIPLIRSA-N 2 1 281.400 -0.145 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCO ZINC001088571773 810346175 /nfs/dbraw/zinc/34/61/75/810346175.db2.gz MXPSQTVORMSBBP-BNOWGMLFSA-N 2 1 281.400 -0.101 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1ncc2c(n1)CC[NH2+]C2 ZINC001156620932 815370302 /nfs/dbraw/zinc/37/03/02/815370302.db2.gz RKHKYWGSRBZEHG-UHFFFAOYSA-N 2 1 257.301 -0.754 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090536204 810517910 /nfs/dbraw/zinc/51/79/10/810517910.db2.gz BXXKSCOECGDUOO-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730389 810560240 /nfs/dbraw/zinc/56/02/40/810560240.db2.gz KZNOTAKISODJGK-CHWSQXEVSA-N 2 1 297.399 -0.720 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090818963 810571898 /nfs/dbraw/zinc/57/18/98/810571898.db2.gz YMVNWPBMBISJIP-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001091039139 810587006 /nfs/dbraw/zinc/58/70/06/810587006.db2.gz OKYZAYSNHVPNAZ-IFWUJCSASA-N 2 1 296.415 -0.314 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001091202375 810597601 /nfs/dbraw/zinc/59/76/01/810597601.db2.gz XVJGBMVQVLQFPY-QCXCNERSSA-N 2 1 296.415 -0.314 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001091372736 810605243 /nfs/dbraw/zinc/60/52/43/810605243.db2.gz YQIZNWXXBKSCSZ-WXRRBKDZSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001091372736 810605247 /nfs/dbraw/zinc/60/52/47/810605247.db2.gz YQIZNWXXBKSCSZ-WXRRBKDZSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092273653 810628140 /nfs/dbraw/zinc/62/81/40/810628140.db2.gz PAAWOAIZAIWNPI-ZOWXZIJZSA-N 2 1 294.399 -0.796 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092273653 810628146 /nfs/dbraw/zinc/62/81/46/810628146.db2.gz PAAWOAIZAIWNPI-ZOWXZIJZSA-N 2 1 294.399 -0.796 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092273653 810628150 /nfs/dbraw/zinc/62/81/50/810628150.db2.gz PAAWOAIZAIWNPI-ZOWXZIJZSA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@@H]1C[N@H+](CCF)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092523993 810632326 /nfs/dbraw/zinc/63/23/26/810632326.db2.gz QLQMZELFUDBPAD-JHJVBQTASA-N 2 1 287.379 -0.029 20 0 CBADMP C[C@@H]1C[N@@H+](CCF)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092523993 810632332 /nfs/dbraw/zinc/63/23/32/810632332.db2.gz QLQMZELFUDBPAD-JHJVBQTASA-N 2 1 287.379 -0.029 20 0 CBADMP C[C@@H]1C[NH+](CCF)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092523993 810632338 /nfs/dbraw/zinc/63/23/38/810632338.db2.gz QLQMZELFUDBPAD-JHJVBQTASA-N 2 1 287.379 -0.029 20 0 CBADMP C[C@@H]1C[NH+](CCF)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092523993 810632343 /nfs/dbraw/zinc/63/23/43/810632343.db2.gz QLQMZELFUDBPAD-JHJVBQTASA-N 2 1 287.379 -0.029 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092510579 810632740 /nfs/dbraw/zinc/63/27/40/810632740.db2.gz TTXUDYPNWJFDEJ-UPJWGTAASA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092510579 810632744 /nfs/dbraw/zinc/63/27/44/810632744.db2.gz TTXUDYPNWJFDEJ-UPJWGTAASA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092510579 810632747 /nfs/dbraw/zinc/63/27/47/810632747.db2.gz TTXUDYPNWJFDEJ-UPJWGTAASA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195355 810647293 /nfs/dbraw/zinc/64/72/93/810647293.db2.gz OBVILVZGUUCWKN-IJLUTSLNSA-N 2 1 282.388 -0.893 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093195355 810647301 /nfs/dbraw/zinc/64/73/01/810647301.db2.gz OBVILVZGUUCWKN-IJLUTSLNSA-N 2 1 282.388 -0.893 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093195355 810647305 /nfs/dbraw/zinc/64/73/05/810647305.db2.gz OBVILVZGUUCWKN-IJLUTSLNSA-N 2 1 282.388 -0.893 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195410 810647644 /nfs/dbraw/zinc/64/76/44/810647644.db2.gz QMHCRUIPQVJUPF-FRRDWIJNSA-N 2 1 269.389 -0.386 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093195410 810647648 /nfs/dbraw/zinc/64/76/48/810647648.db2.gz QMHCRUIPQVJUPF-FRRDWIJNSA-N 2 1 269.389 -0.386 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093195410 810647651 /nfs/dbraw/zinc/64/76/51/810647651.db2.gz QMHCRUIPQVJUPF-FRRDWIJNSA-N 2 1 269.389 -0.386 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879469 810959863 /nfs/dbraw/zinc/95/98/63/810959863.db2.gz KMBQAGJRGYIRLB-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879469 810959873 /nfs/dbraw/zinc/95/98/73/810959873.db2.gz KMBQAGJRGYIRLB-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879469 810959883 /nfs/dbraw/zinc/95/98/83/810959883.db2.gz KMBQAGJRGYIRLB-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)CCC1 ZINC001099873887 810960062 /nfs/dbraw/zinc/96/00/62/810960062.db2.gz BNYAGBKCGITCTL-VXGBXAGGSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)CCC1 ZINC001099874184 810960466 /nfs/dbraw/zinc/96/04/66/810960466.db2.gz HIJMWXJTNWCECQ-CHWSQXEVSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)CC1 ZINC001099971584 810979452 /nfs/dbraw/zinc/97/94/52/810979452.db2.gz JZEHSIXFFGVYPA-NWDGAFQWSA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)CC1 ZINC001099971584 810979449 /nfs/dbraw/zinc/97/94/49/810979449.db2.gz JZEHSIXFFGVYPA-NWDGAFQWSA-N 2 1 287.379 -0.151 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986397 810983545 /nfs/dbraw/zinc/98/35/45/810983545.db2.gz KFSMIAXDZWUFQU-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986398 810983889 /nfs/dbraw/zinc/98/38/89/810983889.db2.gz KFSMIAXDZWUFQU-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001099986544 810985467 /nfs/dbraw/zinc/98/54/67/810985467.db2.gz MIASNROBTANLOA-NEPJUHHUSA-N 2 1 275.368 -0.151 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001099986545 810986064 /nfs/dbraw/zinc/98/60/64/810986064.db2.gz MIASNROBTANLOA-NWDGAFQWSA-N 2 1 275.368 -0.151 20 0 CBADMP CCC(CO)(CO)Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001157200165 815412729 /nfs/dbraw/zinc/41/27/29/815412729.db2.gz INLPTQBDRPPNQX-UHFFFAOYSA-N 2 1 295.387 -0.051 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CC)C[C@@H]1O ZINC001100041771 811002609 /nfs/dbraw/zinc/00/26/09/811002609.db2.gz NZAGXPXCCKCXSV-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100042118 811004272 /nfs/dbraw/zinc/00/42/72/811004272.db2.gz UBATWEDIAYTSGO-OLZOCXBDSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001100041899 811004427 /nfs/dbraw/zinc/00/44/27/811004427.db2.gz PTJJYXPVOFFIGW-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001100041897 811004886 /nfs/dbraw/zinc/00/48/86/811004886.db2.gz PTJJYXPVOFFIGW-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCO)C[C@@H]1O ZINC001100067455 811009643 /nfs/dbraw/zinc/00/96/43/811009643.db2.gz RRZZLQOURMOEBX-STQMWFEESA-N 2 1 287.404 -0.738 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100067455 811009650 /nfs/dbraw/zinc/00/96/50/811009650.db2.gz RRZZLQOURMOEBX-STQMWFEESA-N 2 1 287.404 -0.738 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100067455 811009655 /nfs/dbraw/zinc/00/96/55/811009655.db2.gz RRZZLQOURMOEBX-STQMWFEESA-N 2 1 287.404 -0.738 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076526 811013984 /nfs/dbraw/zinc/01/39/84/811013984.db2.gz MQDZTXUPVRSLRD-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOC)C[C@H]1O ZINC001100081331 811016758 /nfs/dbraw/zinc/01/67/58/811016758.db2.gz QLGPNZQEPYVRDQ-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCOC)C[C@H]1O ZINC001100081331 811016765 /nfs/dbraw/zinc/01/67/65/811016765.db2.gz QLGPNZQEPYVRDQ-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001100081331 811016772 /nfs/dbraw/zinc/01/67/72/811016772.db2.gz QLGPNZQEPYVRDQ-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCO)C[C@@H]1O ZINC001100083261 811016959 /nfs/dbraw/zinc/01/69/59/811016959.db2.gz PETPVYGRKPPADL-OLZOCXBDSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100083261 811016966 /nfs/dbraw/zinc/01/69/66/811016966.db2.gz PETPVYGRKPPADL-OLZOCXBDSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100083261 811016974 /nfs/dbraw/zinc/01/69/74/811016974.db2.gz PETPVYGRKPPADL-OLZOCXBDSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCO)C[C@H]1O ZINC001100080955 811018394 /nfs/dbraw/zinc/01/83/94/811018394.db2.gz OEQZRSULCYZNJU-CHWSQXEVSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100080955 811018401 /nfs/dbraw/zinc/01/84/01/811018401.db2.gz OEQZRSULCYZNJU-CHWSQXEVSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100080955 811018409 /nfs/dbraw/zinc/01/84/09/811018409.db2.gz OEQZRSULCYZNJU-CHWSQXEVSA-N 2 1 287.404 -0.738 20 0 CBADMP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100124260 811024584 /nfs/dbraw/zinc/02/45/84/811024584.db2.gz FSAHYFSFICUMCH-UONOGXRCSA-N 2 1 299.415 -0.594 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132556 811024874 /nfs/dbraw/zinc/02/48/74/811024874.db2.gz VQXADHHTRZJLLP-NWDGAFQWSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100132556 811024882 /nfs/dbraw/zinc/02/48/82/811024882.db2.gz VQXADHHTRZJLLP-NWDGAFQWSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100132556 811024889 /nfs/dbraw/zinc/02/48/89/811024889.db2.gz VQXADHHTRZJLLP-NWDGAFQWSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132555 811025967 /nfs/dbraw/zinc/02/59/67/811025967.db2.gz VQXADHHTRZJLLP-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132555 811025975 /nfs/dbraw/zinc/02/59/75/811025975.db2.gz VQXADHHTRZJLLP-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132555 811025978 /nfs/dbraw/zinc/02/59/78/811025978.db2.gz VQXADHHTRZJLLP-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132580 811028737 /nfs/dbraw/zinc/02/87/37/811028737.db2.gz WDFPIKNSMKBEQF-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132580 811028746 /nfs/dbraw/zinc/02/87/46/811028746.db2.gz WDFPIKNSMKBEQF-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132580 811028755 /nfs/dbraw/zinc/02/87/55/811028755.db2.gz WDFPIKNSMKBEQF-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001100185489 811033708 /nfs/dbraw/zinc/03/37/08/811033708.db2.gz CIBDJKWTOJHQAR-HTAVTVPLSA-N 2 1 282.388 -0.689 20 0 CBADMP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001100343738 811051028 /nfs/dbraw/zinc/05/10/28/811051028.db2.gz PUCQYVGDAPDPNO-IKWCTNDRSA-N 2 1 296.415 -0.443 20 0 CBADMP C[N@@H+](CC(=O)NCC1CC([NH2+]CCO)C1)C1CCC1 ZINC001100411647 811055983 /nfs/dbraw/zinc/05/59/83/811055983.db2.gz KNNGZLPWWZVBJK-UHFFFAOYSA-N 2 1 269.389 -0.053 20 0 CBADMP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001100446851 811058009 /nfs/dbraw/zinc/05/80/09/811058009.db2.gz DDMHHFVFDXVOOG-WXRRBKDZSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100460228 811058725 /nfs/dbraw/zinc/05/87/25/811058725.db2.gz VHZURTOHPWMZMY-UHFFFAOYSA-N 2 1 284.404 -0.314 20 0 CBADMP COC[C@H](O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001100564664 811063765 /nfs/dbraw/zinc/06/37/65/811063765.db2.gz QWKXCPHZDIGZMC-NWINJMCUSA-N 2 1 299.415 -0.428 20 0 CBADMP C[N@@H+](CC(=O)NCC1CC([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001100681369 811070795 /nfs/dbraw/zinc/07/07/95/811070795.db2.gz HANGFAYCPQPMPQ-UHFFFAOYSA-N 2 1 298.431 -0.066 20 0 CBADMP CNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001100678339 811071041 /nfs/dbraw/zinc/07/10/41/811071041.db2.gz HQJDWVLEDAJRRV-PNESKVBLSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@H](O)C[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758731 811078945 /nfs/dbraw/zinc/07/89/45/811078945.db2.gz MBMHNPVNCFMZLC-HSBZDZAISA-N 2 1 299.415 -0.426 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001101039664 811091040 /nfs/dbraw/zinc/09/10/40/811091040.db2.gz XHQMSXQBVTZUEC-WXRRBKDZSA-N 2 1 296.415 -0.301 20 0 CBADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101398063 811103419 /nfs/dbraw/zinc/10/34/19/811103419.db2.gz UZVURJKCPSCELT-DOMZBBRYSA-N 2 1 296.415 -0.406 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001102330270 811152995 /nfs/dbraw/zinc/15/29/95/811152995.db2.gz MBRMAKBRZIEYSY-YRGRVCCFSA-N 2 1 298.431 -0.258 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(N)=O)C[C@H]2C)C1 ZINC001102369777 811153865 /nfs/dbraw/zinc/15/38/65/811153865.db2.gz GTLACLLAYOGJDJ-YNEHKIRRSA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)C1 ZINC001102369777 811153869 /nfs/dbraw/zinc/15/38/69/811153869.db2.gz GTLACLLAYOGJDJ-YNEHKIRRSA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)C1 ZINC001102369777 811153873 /nfs/dbraw/zinc/15/38/73/811153873.db2.gz GTLACLLAYOGJDJ-YNEHKIRRSA-N 2 1 296.415 -0.502 20 0 CBADMP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102469030 811156457 /nfs/dbraw/zinc/15/64/57/811156457.db2.gz MAKNMLSIHHBOKJ-ZIAGYGMSSA-N 2 1 299.415 -0.615 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102469030 811156461 /nfs/dbraw/zinc/15/64/61/811156461.db2.gz MAKNMLSIHHBOKJ-ZIAGYGMSSA-N 2 1 299.415 -0.615 20 0 CBADMP [NH3+]C1CCN(c2cc[nH+]c(NC3(CO)COC3)n2)CC1 ZINC001157395968 815430738 /nfs/dbraw/zinc/43/07/38/815430738.db2.gz SNDRCBGCHBUHMM-UHFFFAOYSA-N 2 1 279.344 -0.423 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC)C[C@H]1C ZINC001102495771 811158707 /nfs/dbraw/zinc/15/87/07/811158707.db2.gz MPGFQYIBRRGTFB-CHWSQXEVSA-N 2 1 298.431 -0.242 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C ZINC001102495771 811158713 /nfs/dbraw/zinc/15/87/13/811158713.db2.gz MPGFQYIBRRGTFB-CHWSQXEVSA-N 2 1 298.431 -0.242 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C ZINC001102495771 811158717 /nfs/dbraw/zinc/15/87/17/811158717.db2.gz MPGFQYIBRRGTFB-CHWSQXEVSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398290 811183972 /nfs/dbraw/zinc/18/39/72/811183972.db2.gz LVIHRZHVWDPBMX-VXGBXAGGSA-N 2 1 284.404 -0.502 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001103612673 811184474 /nfs/dbraw/zinc/18/44/74/811184474.db2.gz OYQNLPOWNOGQEB-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001103612673 811184477 /nfs/dbraw/zinc/18/44/77/811184477.db2.gz OYQNLPOWNOGQEB-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001103612673 811184484 /nfs/dbraw/zinc/18/44/84/811184484.db2.gz OYQNLPOWNOGQEB-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(N)=O ZINC001105007514 811212887 /nfs/dbraw/zinc/21/28/87/811212887.db2.gz AFQUIYCGUIDMSO-UPJWGTAASA-N 2 1 296.415 -0.502 20 0 CBADMP C[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCC(O)CC2)CC1 ZINC001157451469 815435796 /nfs/dbraw/zinc/43/57/96/815435796.db2.gz VVVFMZXGUNZWNW-MCIGGMRASA-N 2 1 255.362 -0.361 20 0 CBADMP 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 811298695 /nfs/dbraw/zinc/29/86/95/811298695.db2.gz GPVSXFUOMBPJPG-FDYHWXHSSA-N 2 1 296.415 -0.504 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCO ZINC001106310161 811303615 /nfs/dbraw/zinc/30/36/15/811303615.db2.gz NHTUINSJZZYGGE-AAVRWANBSA-N 2 1 299.415 -0.618 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCO ZINC001106310161 811303625 /nfs/dbraw/zinc/30/36/25/811303625.db2.gz NHTUINSJZZYGGE-AAVRWANBSA-N 2 1 299.415 -0.618 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106874279 811317502 /nfs/dbraw/zinc/31/75/02/811317502.db2.gz AQVZPULSAMURAI-JHJVBQTASA-N 2 1 296.415 -0.502 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CCO)[C@H](C)C1 ZINC001106986025 811320775 /nfs/dbraw/zinc/32/07/75/811320775.db2.gz DEIAOEAHTLZUGH-DGCLKSJQSA-N 2 1 280.372 -0.132 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCO)[C@H](C)C2)C1 ZINC001107011864 811321543 /nfs/dbraw/zinc/32/15/43/811321543.db2.gz BXTFZYNFESBFBY-MCIONIFRSA-N 2 1 299.415 -0.617 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCO)[C@H](C)C2)C1 ZINC001107011864 811321552 /nfs/dbraw/zinc/32/15/52/811321552.db2.gz BXTFZYNFESBFBY-MCIONIFRSA-N 2 1 299.415 -0.617 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C1 ZINC001107040774 811322648 /nfs/dbraw/zinc/32/26/48/811322648.db2.gz MUJFCJYFGVPTKF-JHJVBQTASA-N 2 1 298.431 -0.116 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108182457 811419337 /nfs/dbraw/zinc/41/93/37/811419337.db2.gz IROFHRJOPSQYLX-CYBMUJFWSA-N 2 1 273.377 -0.863 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108182457 811419344 /nfs/dbraw/zinc/41/93/44/811419344.db2.gz IROFHRJOPSQYLX-CYBMUJFWSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@@H+]1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108342685 811439796 /nfs/dbraw/zinc/43/97/96/811439796.db2.gz HXPPLMMLXFDFLL-AWEZNQCLSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[N@H+]1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108342685 811439799 /nfs/dbraw/zinc/43/97/99/811439799.db2.gz HXPPLMMLXFDFLL-AWEZNQCLSA-N 2 1 287.404 -0.208 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(C)C[NH+](CCCO)CCO2)C1 ZINC001108395930 811442962 /nfs/dbraw/zinc/44/29/62/811442962.db2.gz XCUNCKYXAMVRIL-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@]2(C)C[NH+](CCCO)CCO2)C1 ZINC001108395930 811442965 /nfs/dbraw/zinc/44/29/65/811442965.db2.gz XCUNCKYXAMVRIL-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(C)C[N@H+](CCCO)CCO2)C1 ZINC001108395930 811442973 /nfs/dbraw/zinc/44/29/73/811442973.db2.gz XCUNCKYXAMVRIL-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CCCO)CCO2)C1 ZINC001108395930 811442978 /nfs/dbraw/zinc/44/29/78/811442978.db2.gz XCUNCKYXAMVRIL-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(C)C[NH+](CCCO)CCO2)C1 ZINC001108395929 811443991 /nfs/dbraw/zinc/44/39/91/811443991.db2.gz XCUNCKYXAMVRIL-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]2(C)C[NH+](CCCO)CCO2)C1 ZINC001108395929 811443999 /nfs/dbraw/zinc/44/39/99/811443999.db2.gz XCUNCKYXAMVRIL-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(C)C[N@H+](CCCO)CCO2)C1 ZINC001108395929 811444005 /nfs/dbraw/zinc/44/40/05/811444005.db2.gz XCUNCKYXAMVRIL-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(C)C[N@@H+](CCCO)CCO2)C1 ZINC001108395929 811444008 /nfs/dbraw/zinc/44/40/08/811444008.db2.gz XCUNCKYXAMVRIL-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP c1cc(N2C[C@@H]3C[NH2+][C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001157624275 815448494 /nfs/dbraw/zinc/44/84/94/815448494.db2.gz WORODJAWMCHHJH-WDEREUQCSA-N 2 1 261.329 -0.279 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC)C2)C1 ZINC001108587465 811459302 /nfs/dbraw/zinc/45/93/02/811459302.db2.gz OHOIITZMALUUBZ-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC)C2)C1 ZINC001108587465 811459305 /nfs/dbraw/zinc/45/93/05/811459305.db2.gz OHOIITZMALUUBZ-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674345 811499325 /nfs/dbraw/zinc/49/93/25/811499325.db2.gz CWGCQZZTLDWLJY-XQHKEYJVSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674345 811499331 /nfs/dbraw/zinc/49/93/31/811499331.db2.gz CWGCQZZTLDWLJY-XQHKEYJVSA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672534 811499582 /nfs/dbraw/zinc/49/95/82/811499582.db2.gz JFVSEIAQQHZNDL-WYUUTHIRSA-N 2 1 282.388 -0.467 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672534 811499585 /nfs/dbraw/zinc/49/95/85/811499585.db2.gz JFVSEIAQQHZNDL-WYUUTHIRSA-N 2 1 282.388 -0.467 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(N)=O ZINC001110016616 811505999 /nfs/dbraw/zinc/50/59/99/811505999.db2.gz WRFUZMAEPFYKPC-NDBYEHHHSA-N 2 1 296.415 -0.077 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(N)=O ZINC001110016616 811506009 /nfs/dbraw/zinc/50/60/09/811506009.db2.gz WRFUZMAEPFYKPC-NDBYEHHHSA-N 2 1 296.415 -0.077 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(N)=O ZINC001110016616 811506019 /nfs/dbraw/zinc/50/60/19/811506019.db2.gz WRFUZMAEPFYKPC-NDBYEHHHSA-N 2 1 296.415 -0.077 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(N)=O ZINC001110016616 811506023 /nfs/dbraw/zinc/50/60/23/811506023.db2.gz WRFUZMAEPFYKPC-NDBYEHHHSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(N)=O ZINC001111229904 811544617 /nfs/dbraw/zinc/54/46/17/811544617.db2.gz CLXOGSWDLFXJDX-LPWJVIDDSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(N)=O ZINC001111229904 811544622 /nfs/dbraw/zinc/54/46/22/811544622.db2.gz CLXOGSWDLFXJDX-LPWJVIDDSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(N)=O ZINC001111229904 811544630 /nfs/dbraw/zinc/54/46/30/811544630.db2.gz CLXOGSWDLFXJDX-LPWJVIDDSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(N)=O ZINC001111229904 811544637 /nfs/dbraw/zinc/54/46/37/811544637.db2.gz CLXOGSWDLFXJDX-LPWJVIDDSA-N 2 1 296.415 -0.077 20 0 CBADMP CO[C@H](C)C[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113545218 811644884 /nfs/dbraw/zinc/64/48/84/811644884.db2.gz DOPQIHOQDWKHFS-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP C[NH+](C)CCOCC(=O)N1CC[NH+](CCCO)CC1 ZINC001113538546 811645893 /nfs/dbraw/zinc/64/58/93/811645893.db2.gz UMNZBISDWDIPGL-UHFFFAOYSA-N 2 1 273.377 -0.909 20 0 CBADMP [NH3+]C[C@@]1(F)CCCN(C(=O)c2nnn3c2C[NH2+]CC3)CC1 ZINC001157773966 815466013 /nfs/dbraw/zinc/46/60/13/815466013.db2.gz NPOCPRPEIOAMLZ-CYBMUJFWSA-N 2 1 296.350 -0.326 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157755893 815462967 /nfs/dbraw/zinc/46/29/67/815462967.db2.gz UFRPEODYPZLVDG-TZMCWYRMSA-N 2 1 286.395 -0.088 20 0 CBADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCN2C)C[C@@H]1[NH3+] ZINC001157810383 815469363 /nfs/dbraw/zinc/46/93/63/815469363.db2.gz NBUJJKUFRXRUKR-GRYCIOLGSA-N 2 1 254.378 -0.572 20 0 CBADMP CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114093234 811717118 /nfs/dbraw/zinc/71/71/18/811717118.db2.gz LLJHBGHIVVIZOP-RFQIPJPRSA-N 2 1 297.399 -0.600 20 0 CBADMP CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114093234 811717122 /nfs/dbraw/zinc/71/71/22/811717122.db2.gz LLJHBGHIVVIZOP-RFQIPJPRSA-N 2 1 297.399 -0.600 20 0 CBADMP CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001114093234 811717129 /nfs/dbraw/zinc/71/71/29/811717129.db2.gz LLJHBGHIVVIZOP-RFQIPJPRSA-N 2 1 297.399 -0.600 20 0 CBADMP CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001114093234 811717136 /nfs/dbraw/zinc/71/71/36/811717136.db2.gz LLJHBGHIVVIZOP-RFQIPJPRSA-N 2 1 297.399 -0.600 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CCC1 ZINC001114405173 811748374 /nfs/dbraw/zinc/74/83/74/811748374.db2.gz OPPMDRCPFBQYDF-IAZYJMLFSA-N 2 1 280.372 -0.998 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CCC1 ZINC001114405173 811748378 /nfs/dbraw/zinc/74/83/78/811748378.db2.gz OPPMDRCPFBQYDF-IAZYJMLFSA-N 2 1 280.372 -0.998 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[NH+](C)C ZINC001114464198 811750419 /nfs/dbraw/zinc/75/04/19/811750419.db2.gz QUYKJGBIMNXFTC-KXNHARMFSA-N 2 1 255.362 -0.635 20 0 CBADMP 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 811750565 /nfs/dbraw/zinc/75/05/65/811750565.db2.gz QVSXXCZBOMFOMI-CZXHOFHRSA-N 2 1 296.415 -0.539 20 0 CBADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCc2nc[nH]c2C1 ZINC001157922457 815482616 /nfs/dbraw/zinc/48/26/16/815482616.db2.gz OKNPXZSRBVSWHV-VIFPVBQESA-N 2 1 251.334 -0.249 20 0 CBADMP [NH3+]Cc1nc(=O)[nH]n1-c1cccc(N2CCC([NH3+])CC2)n1 ZINC001157941058 815490093 /nfs/dbraw/zinc/49/00/93/815490093.db2.gz UKONMCNNRHVUTC-UHFFFAOYSA-N 2 1 289.343 -0.246 20 0 CBADMP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001158014905 815498162 /nfs/dbraw/zinc/49/81/62/815498162.db2.gz PCYGFLIGQCUDAD-ONGXEEELSA-N 2 1 287.335 -0.560 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158029234 815499241 /nfs/dbraw/zinc/49/92/41/815499241.db2.gz GTSTXENVLAHXQO-CHWSQXEVSA-N 2 1 296.415 -0.297 20 0 CBADMP [NH3+][C@H](C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)c1ccsc1 ZINC001158092336 815503918 /nfs/dbraw/zinc/50/39/18/815503918.db2.gz NKKVHQXYBPHCNT-WCQYABFASA-N 2 1 294.380 -0.562 20 0 CBADMP [NH3+][C@H](C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)c1ccsc1 ZINC001158092335 815504345 /nfs/dbraw/zinc/50/43/45/815504345.db2.gz NKKVHQXYBPHCNT-AAEUAGOBSA-N 2 1 294.380 -0.562 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750303 812156795 /nfs/dbraw/zinc/15/67/95/812156795.db2.gz FHFVWIXGMBEQQK-NMKXLXIOSA-N 2 1 296.415 -0.491 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114750191 812157116 /nfs/dbraw/zinc/15/71/16/812157116.db2.gz CMBHDSYBJUDKGL-CZXHOFHRSA-N 2 1 294.399 -0.737 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001114771767 812159546 /nfs/dbraw/zinc/15/95/46/812159546.db2.gz JNYLEUBSJJJRRT-NHAGDIPZSA-N 2 1 291.399 -0.119 20 0 CBADMP CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)C1=O ZINC001114778088 812159846 /nfs/dbraw/zinc/15/98/46/812159846.db2.gz FHMKVRFMJGLNRH-CZXHOFHRSA-N 2 1 294.399 -0.785 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[NH+](C)C ZINC001114794571 812159911 /nfs/dbraw/zinc/15/99/11/812159911.db2.gz LFTCNGMEDYKADC-MROQNXINSA-N 2 1 269.389 -0.389 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778431 812160499 /nfs/dbraw/zinc/16/04/99/812160499.db2.gz KUOTVCNWEMSDGJ-MEWQQHAOSA-N 2 1 282.388 -0.881 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)[NH+](CC)CC ZINC001114829012 812163259 /nfs/dbraw/zinc/16/32/59/812163259.db2.gz OORFSTHRULMKSR-CZXHOFHRSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[NH+](CC)CC ZINC001114829012 812163264 /nfs/dbraw/zinc/16/32/64/812163264.db2.gz OORFSTHRULMKSR-CZXHOFHRSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115001391 812173608 /nfs/dbraw/zinc/17/36/08/812173608.db2.gz XLHFSEDCWDNOLJ-PJXYFTJBSA-N 2 1 255.362 -0.633 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)COC)C[C@H]21 ZINC001115080706 812178077 /nfs/dbraw/zinc/17/80/77/812178077.db2.gz CPOYJYHLMKJEOR-RMRHIDDWSA-N 2 1 299.415 -0.618 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001115080706 812178083 /nfs/dbraw/zinc/17/80/83/812178083.db2.gz CPOYJYHLMKJEOR-RMRHIDDWSA-N 2 1 299.415 -0.618 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001115080706 812178087 /nfs/dbraw/zinc/17/80/87/812178087.db2.gz CPOYJYHLMKJEOR-RMRHIDDWSA-N 2 1 299.415 -0.618 20 0 CBADMP CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126961 812180582 /nfs/dbraw/zinc/18/05/82/812180582.db2.gz YWPWOFLPSYTHHO-NHAGDIPZSA-N 2 1 299.415 -0.353 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC001115153169 812181267 /nfs/dbraw/zinc/18/12/67/812181267.db2.gz ZPXKACNNHLGVQX-IMRBUKKESA-N 2 1 269.389 -0.243 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001115153169 812181271 /nfs/dbraw/zinc/18/12/71/812181271.db2.gz ZPXKACNNHLGVQX-IMRBUKKESA-N 2 1 269.389 -0.243 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001115153169 812181273 /nfs/dbraw/zinc/18/12/73/812181273.db2.gz ZPXKACNNHLGVQX-IMRBUKKESA-N 2 1 269.389 -0.243 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115155153 812181392 /nfs/dbraw/zinc/18/13/92/812181392.db2.gz YAFRYTBNICGNKV-CIQGVGRVSA-N 2 1 296.415 -0.362 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115155153 812181395 /nfs/dbraw/zinc/18/13/95/812181395.db2.gz YAFRYTBNICGNKV-CIQGVGRVSA-N 2 1 296.415 -0.362 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115155153 812181401 /nfs/dbraw/zinc/18/14/01/812181401.db2.gz YAFRYTBNICGNKV-CIQGVGRVSA-N 2 1 296.415 -0.362 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115155153 812181408 /nfs/dbraw/zinc/18/14/08/812181408.db2.gz YAFRYTBNICGNKV-CIQGVGRVSA-N 2 1 296.415 -0.362 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC)C[C@H]21 ZINC001115160148 812183399 /nfs/dbraw/zinc/18/33/99/812183399.db2.gz PKCIRBGQJGDKRP-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC)C[C@H]21 ZINC001115160148 812183406 /nfs/dbraw/zinc/18/34/06/812183406.db2.gz PKCIRBGQJGDKRP-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC)C[C@H]21 ZINC001115160148 812183415 /nfs/dbraw/zinc/18/34/15/812183415.db2.gz PKCIRBGQJGDKRP-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC)C[C@H]21 ZINC001115160148 812183418 /nfs/dbraw/zinc/18/34/18/812183418.db2.gz PKCIRBGQJGDKRP-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCCC1 ZINC001115450631 812195642 /nfs/dbraw/zinc/19/56/42/812195642.db2.gz IFZUHGLCOVZZIB-GFCCVEGCSA-N 2 1 296.415 -0.025 20 0 CBADMP CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC001117046894 812356276 /nfs/dbraw/zinc/35/62/76/812356276.db2.gz ILDZMJOAQRGYIY-UHFFFAOYSA-N 2 1 270.377 -0.783 20 0 CBADMP CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC001117046894 812356288 /nfs/dbraw/zinc/35/62/88/812356288.db2.gz ILDZMJOAQRGYIY-UHFFFAOYSA-N 2 1 270.377 -0.783 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001158339370 815521352 /nfs/dbraw/zinc/52/13/52/815521352.db2.gz OWDAVPMAXCBLAG-SNVBAGLBSA-N 3 1 265.361 -0.288 20 0 CBADMP Cc1nc2c([nH]1)CCN(C(=O)C[NH2+]C1CC[NH2+]CC1)CC2 ZINC001158339580 815521959 /nfs/dbraw/zinc/52/19/59/815521959.db2.gz RUOSGLIWRNJWAG-UHFFFAOYSA-N 2 1 291.399 -0.013 20 0 CBADMP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001158380299 815523017 /nfs/dbraw/zinc/52/30/17/815523017.db2.gz PCNBJCWBAPUSGY-UTUOFQBUSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001158381178 815523026 /nfs/dbraw/zinc/52/30/26/815523026.db2.gz ZIZSVTSAAIKRSA-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380670 815523212 /nfs/dbraw/zinc/52/32/12/815523212.db2.gz SZSJQMZJEZZSFZ-GHMZBOCLSA-N 2 1 270.377 -0.832 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC[NH2+]1 ZINC001118060113 812467304 /nfs/dbraw/zinc/46/73/04/812467304.db2.gz WDPBUJGTVJPZKD-QWHCGFSZSA-N 2 1 294.399 -0.497 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158424332 815528552 /nfs/dbraw/zinc/52/85/52/815528552.db2.gz ROZAIHLTNPAZIW-NWDGAFQWSA-N 3 1 252.362 -0.709 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)CC[N@H+]1C ZINC001158428760 815529524 /nfs/dbraw/zinc/52/95/24/815529524.db2.gz RMQJUNSBKIVSMP-UTUOFQBUSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C[NH3+])C1)N1CC[NH+](C)CC1 ZINC001118260584 812509869 /nfs/dbraw/zinc/50/98/69/812509869.db2.gz MAGQEDDDSCKJCA-CHWSQXEVSA-N 2 1 268.405 -0.180 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1cnn(C)c1 ZINC001118265430 812511228 /nfs/dbraw/zinc/51/12/28/812511228.db2.gz ZNHCCIRYAJLTAF-WCQGTBRESA-N 2 1 265.361 -0.076 20 0 CBADMP C[C@H](C(=O)NC1(C)CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC001118269925 812514176 /nfs/dbraw/zinc/51/41/76/812514176.db2.gz QOLNVYMFJIQCCU-GFCCVEGCSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001118276662 812517069 /nfs/dbraw/zinc/51/70/69/812517069.db2.gz AVQATIXTIIQYGD-AGIUHOORSA-N 3 1 268.405 -0.005 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)C1 ZINC001158576613 815539097 /nfs/dbraw/zinc/53/90/97/815539097.db2.gz CCPJKOXRIMNRTF-ZNSHCXBVSA-N 2 1 270.352 -0.789 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)C1 ZINC001158576608 815539565 /nfs/dbraw/zinc/53/95/65/815539565.db2.gz CCPJKOXRIMNRTF-NAKRPEOUSA-N 2 1 270.352 -0.789 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158577059 815539767 /nfs/dbraw/zinc/53/97/67/815539767.db2.gz GDJVCKAMTCCDFA-BBBLOLIVSA-N 3 1 258.341 -0.802 20 0 CBADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001158626682 815540972 /nfs/dbraw/zinc/54/09/72/815540972.db2.gz YGLPJNIZGDBZBH-TUAOUCFPSA-N 3 1 256.394 -0.006 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001158626682 815540975 /nfs/dbraw/zinc/54/09/75/815540975.db2.gz YGLPJNIZGDBZBH-TUAOUCFPSA-N 3 1 256.394 -0.006 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001118868351 812647103 /nfs/dbraw/zinc/64/71/03/812647103.db2.gz WDLCEFBUHUQGRU-TUAOUCFPSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001118868348 812647115 /nfs/dbraw/zinc/64/71/15/812647115.db2.gz WDLCEFBUHUQGRU-SDDRHHMPSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001118903618 812657999 /nfs/dbraw/zinc/65/79/99/812657999.db2.gz UWHMTMREAXPUON-GRYCIOLGSA-N 2 1 284.404 -0.409 20 0 CBADMP C[N@H+](C1CN(c2ncnc3c2C[NH2+]C3)C1)[C@H]1CCOC1 ZINC001158731153 815545633 /nfs/dbraw/zinc/54/56/33/815545633.db2.gz GAGVDZFPEZLPHP-JTQLQIEISA-N 2 1 275.356 -0.011 20 0 CBADMP C[N@@H+](C1CN(c2ncnc3c2C[NH2+]C3)C1)[C@H]1CCOC1 ZINC001158731153 815545636 /nfs/dbraw/zinc/54/56/36/815545636.db2.gz GAGVDZFPEZLPHP-JTQLQIEISA-N 2 1 275.356 -0.011 20 0 CBADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H](C)[NH3+])CC2 ZINC001158891013 815550283 /nfs/dbraw/zinc/55/02/83/815550283.db2.gz SQRJABVJPBWPNK-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001119067900 812705451 /nfs/dbraw/zinc/70/54/51/812705451.db2.gz QOBGIOALWVJDPJ-SDDRHHMPSA-N 2 1 253.346 -0.567 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[C@H](C)[NH3+])C[C@@H]1C ZINC001119294720 812743970 /nfs/dbraw/zinc/74/39/70/812743970.db2.gz HMLZPRIWFRNZOZ-SDDRHHMPSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[C@H](C)[NH3+])C[C@@H]1C ZINC001119294720 812743976 /nfs/dbraw/zinc/74/39/76/812743976.db2.gz HMLZPRIWFRNZOZ-SDDRHHMPSA-N 2 1 284.404 -0.219 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC001119295948 812746262 /nfs/dbraw/zinc/74/62/62/812746262.db2.gz JNSDKYVADDYUOZ-QWHCGFSZSA-N 2 1 284.404 -0.754 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1C ZINC001119348505 812762913 /nfs/dbraw/zinc/76/29/13/812762913.db2.gz BJKYBWIYHIMBTM-QNWHQSFQSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1C ZINC001119348506 812762949 /nfs/dbraw/zinc/76/29/49/812762949.db2.gz BJKYBWIYHIMBTM-XQHKEYJVSA-N 2 1 294.399 -0.452 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001119363406 812767882 /nfs/dbraw/zinc/76/78/82/812767882.db2.gz XZDUWVKCUKISOS-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC001119371806 812771237 /nfs/dbraw/zinc/77/12/37/812771237.db2.gz YXHFWANHDIDBRR-JOCQHMNTSA-N 2 1 294.399 -0.606 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001119480715 812791712 /nfs/dbraw/zinc/79/17/12/812791712.db2.gz XUBVQSXLAKDVDG-WHOHXGKFSA-N 2 1 268.361 -0.816 20 0 CBADMP CNC(=O)[C@H](C)Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001158988509 815553823 /nfs/dbraw/zinc/55/38/23/815553823.db2.gz MROGANSODDAUEN-VIFPVBQESA-N 2 1 278.360 -0.050 20 0 CBADMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC001120273860 812946778 /nfs/dbraw/zinc/94/67/78/812946778.db2.gz UDUSGPMFUVRKSD-RYUDHWBXSA-N 2 1 260.378 -0.445 20 0 CBADMP C[N@@H+](CCCCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C1CC1 ZINC001120515057 812979833 /nfs/dbraw/zinc/97/98/33/812979833.db2.gz NXYIISFFNDGNJG-HAQNSBGRSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC[N@H+]1C ZINC001120517707 812980991 /nfs/dbraw/zinc/98/09/91/812980991.db2.gz UVZZOCXXYGERDA-UPJWGTAASA-N 2 1 296.415 -0.217 20 0 CBADMP [NH3+]CCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001120538500 812985404 /nfs/dbraw/zinc/98/54/04/812985404.db2.gz OKXXVWFSTDLVDH-QWRGUYRKSA-N 2 1 256.350 -0.814 20 0 CBADMP [NH3+]CCNC(=O)NCCCCC[NH+]1CCNCC1 ZINC001120538542 812985796 /nfs/dbraw/zinc/98/57/96/812985796.db2.gz PIOOSIOJOLOKGL-UHFFFAOYSA-N 2 1 257.382 -0.680 20 0 CBADMP C[NH2+]CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001120542659 812987711 /nfs/dbraw/zinc/98/77/11/812987711.db2.gz NZOFHXADDUMWNA-OKILXGFUSA-N 3 1 295.431 -0.184 20 0 CBADMP C[NH2+]CCNC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001120542659 812987717 /nfs/dbraw/zinc/98/77/17/812987717.db2.gz NZOFHXADDUMWNA-OKILXGFUSA-N 2 1 295.431 -0.184 20 0 CBADMP Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncnc2c1C[NH2+]C2 ZINC001159293659 815568960 /nfs/dbraw/zinc/56/89/60/815568960.db2.gz LVEAENQLFQPKFT-UHFFFAOYSA-N 2 1 260.301 -0.219 20 0 CBADMP C[NH+]1CCN(C(=O)CNc2cc[nH+]c(CO)c2)CC1 ZINC001120808757 813020136 /nfs/dbraw/zinc/02/01/36/813020136.db2.gz CHTCJMGMEQJFAQ-UHFFFAOYSA-N 2 1 264.329 -0.240 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001159335022 815570535 /nfs/dbraw/zinc/57/05/35/815570535.db2.gz OYUCFILTLYOYBC-NSHDSACASA-N 2 1 270.377 -0.558 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001159436749 815572605 /nfs/dbraw/zinc/57/26/05/815572605.db2.gz UJQXMQJLSXKVFL-IGQOVBAYSA-N 2 1 297.399 -0.153 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@@H](C[NH3+])C1 ZINC001121811358 813077670 /nfs/dbraw/zinc/07/76/70/813077670.db2.gz ZTKMAFYWGJLFHE-WOPDTQHZSA-N 2 1 252.362 -0.818 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001121891778 813083171 /nfs/dbraw/zinc/08/31/71/813083171.db2.gz BLFMFYMHTXVZCY-IJLUTSLNSA-N 2 1 252.362 -0.805 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121908830 813088253 /nfs/dbraw/zinc/08/82/53/813088253.db2.gz FEIKJIXGVCSLLQ-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)CNCC[NH3+])cc1 ZINC001121923643 813090236 /nfs/dbraw/zinc/09/02/36/813090236.db2.gz PPTNOSDHYGDPLW-UHFFFAOYSA-N 2 1 293.371 -0.327 20 0 CBADMP C[N@@H+](CCNC(=O)CNCC[NH3+])C1CCCCC1 ZINC001121983517 813100809 /nfs/dbraw/zinc/10/08/09/813100809.db2.gz KTUPFPUXLIGAJG-UHFFFAOYSA-N 2 1 256.394 -0.085 20 0 CBADMP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001121998131 813102749 /nfs/dbraw/zinc/10/27/49/813102749.db2.gz QPOCTQMJRPEQNF-QWHCGFSZSA-N 2 1 266.389 -0.510 20 0 CBADMP COCC[NH2+]CCNC(=O)c1nc(C[NH3+])sc1C ZINC001122010606 813104025 /nfs/dbraw/zinc/10/40/25/813104025.db2.gz UJTYYFNRCPBUGQ-UHFFFAOYSA-N 2 1 272.374 -0.124 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001122024118 813106405 /nfs/dbraw/zinc/10/64/05/813106405.db2.gz XSBQPXLPXICJOZ-UHFFFAOYSA-N 2 1 296.415 -0.170 20 0 CBADMP Cc1[nH+]ccn1CCCN(C)C(=O)C[C@H](O)C[NH3+] ZINC001122046776 813108827 /nfs/dbraw/zinc/10/88/27/813108827.db2.gz OVNKCCCEYOLPOY-NSHDSACASA-N 2 1 254.334 -0.250 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC2CC1(C[NH3+])C2 ZINC001122067714 813111723 /nfs/dbraw/zinc/11/17/23/813111723.db2.gz APWSWOSQVPMVFQ-ATWGWHJKSA-N 2 1 264.373 -0.676 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001122143453 813124185 /nfs/dbraw/zinc/12/41/85/813124185.db2.gz HBZGRSHLNIMWRU-YPMHNXCESA-N 2 1 269.389 -0.338 20 0 CBADMP [NH3+]C[C@H](O)CNC(=O)[C@H]1[NH2+]CCOc2ccccc21 ZINC001122150321 813125340 /nfs/dbraw/zinc/12/53/40/813125340.db2.gz XPWCHTWTYMRUJC-CABZTGNLSA-N 2 1 265.313 -0.855 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC[C@H]21 ZINC001122191462 813130380 /nfs/dbraw/zinc/13/03/80/813130380.db2.gz MMXMFICVKKQGKO-GMTAPVOTSA-N 2 1 255.362 -0.363 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[C@@H]1C[NH3+] ZINC001122221300 813135604 /nfs/dbraw/zinc/13/56/04/813135604.db2.gz WQQFTIBZCOOFFH-QJPTWQEYSA-N 2 1 252.362 -0.676 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCCCC[NH+]1CCNCC1 ZINC001122278497 813139438 /nfs/dbraw/zinc/13/94/38/813139438.db2.gz WOJSFFUCFSNADA-KBPBESRZSA-N 2 1 298.431 -0.458 20 0 CBADMP CC(C)[NH2+]CC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001122290930 813140575 /nfs/dbraw/zinc/14/05/75/813140575.db2.gz MNJBDRUFEWCZMV-UHFFFAOYSA-N 2 1 256.394 -0.310 20 0 CBADMP CC(C)[NH2+]CC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001122290930 813140579 /nfs/dbraw/zinc/14/05/79/813140579.db2.gz MNJBDRUFEWCZMV-UHFFFAOYSA-N 2 1 256.394 -0.310 20 0 CBADMP CN1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC[N@H+](C)CC1 ZINC001122291718 813141013 /nfs/dbraw/zinc/14/10/13/813141013.db2.gz XSULPBHXXBUJHI-CYBMUJFWSA-N 2 1 268.405 -0.180 20 0 CBADMP CN1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC[N@@H+](C)CC1 ZINC001122291718 813141017 /nfs/dbraw/zinc/14/10/17/813141017.db2.gz XSULPBHXXBUJHI-CYBMUJFWSA-N 2 1 268.405 -0.180 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC001122362533 813152698 /nfs/dbraw/zinc/15/26/98/813152698.db2.gz CYIYIPXDHDEVDF-MNOVXSKESA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC001122362533 813152704 /nfs/dbraw/zinc/15/27/04/813152704.db2.gz CYIYIPXDHDEVDF-MNOVXSKESA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001122378623 813156457 /nfs/dbraw/zinc/15/64/57/813156457.db2.gz ZVGDPOCSSZCUOC-STQMWFEESA-N 2 1 268.405 -0.310 20 0 CBADMP CC(C)([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001122442410 813165535 /nfs/dbraw/zinc/16/55/35/813165535.db2.gz OVPKVAOJWCUIJE-QWRGUYRKSA-N 2 1 255.362 -0.219 20 0 CBADMP CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC[C@H]21 ZINC001159783178 815594620 /nfs/dbraw/zinc/59/46/20/815594620.db2.gz UIDOPNSVPOTGHS-FRRDWIJNSA-N 2 1 296.415 -0.232 20 0 CBADMP N[C@H](CCC[NH3+])Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001159786281 815594771 /nfs/dbraw/zinc/59/47/71/815594771.db2.gz XOPOTODUFABSOC-JTQLQIEISA-N 2 1 265.365 -0.678 20 0 CBADMP CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC[C@@H]21 ZINC001159783174 815594785 /nfs/dbraw/zinc/59/47/85/815594785.db2.gz UIDOPNSVPOTGHS-AGIUHOORSA-N 2 1 296.415 -0.232 20 0 CBADMP N[C@@H](CCC[NH3+])Nc1ncnc2c1CC[NH2+]CC2 ZINC001159780030 815595080 /nfs/dbraw/zinc/59/50/80/815595080.db2.gz ODGMBXVXMZDMCD-LLVKDONJSA-N 2 1 250.350 -0.400 20 0 CBADMP C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H]1C[N@@H+](C)CCN1C ZINC001122540549 813174666 /nfs/dbraw/zinc/17/46/66/813174666.db2.gz FKGGQJCSDHYVGN-BZPMIXESSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H]1C[N@@H+](C)CCN1C ZINC001122540552 813174974 /nfs/dbraw/zinc/17/49/74/813174974.db2.gz FKGGQJCSDHYVGN-SCRDCRAPSA-N 2 1 268.405 -0.121 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC001122578113 813177618 /nfs/dbraw/zinc/17/76/18/813177618.db2.gz CSUOMXWZJOLEJP-TXEJJXNPSA-N 2 1 273.377 -0.423 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC([NH+](C)C)C1 ZINC001123775514 813271266 /nfs/dbraw/zinc/27/12/66/813271266.db2.gz XJKBKEYJXAAYJW-CMPLNLGQSA-N 2 1 252.362 -0.853 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001124836578 813485253 /nfs/dbraw/zinc/48/52/53/813485253.db2.gz HCZNBKJSRFCPKC-NSHDSACASA-N 2 1 268.361 -0.981 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124836392 813485823 /nfs/dbraw/zinc/48/58/23/813485823.db2.gz GIMQGOGSAPXGLW-SNVBAGLBSA-N 2 1 266.349 -0.885 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124836392 813485830 /nfs/dbraw/zinc/48/58/30/813485830.db2.gz GIMQGOGSAPXGLW-SNVBAGLBSA-N 2 1 266.349 -0.885 20 0 CBADMP CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001124837319 813485985 /nfs/dbraw/zinc/48/59/85/813485985.db2.gz LTGAJOBKBDQTTD-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP Cn1nccc1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124837581 813486431 /nfs/dbraw/zinc/48/64/31/813486431.db2.gz OEBVBWPWSRIEOR-GFCCVEGCSA-N 2 1 265.361 -0.280 20 0 CBADMP CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001124867095 813489587 /nfs/dbraw/zinc/48/95/87/813489587.db2.gz RUGUWZLTCQPBSR-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001124866354 813489989 /nfs/dbraw/zinc/48/99/89/813489989.db2.gz AUTGFAHBZNKTQE-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124872460 813491061 /nfs/dbraw/zinc/49/10/61/813491061.db2.gz GOSMDGUEOXPBLT-LBPRGKRZSA-N 2 1 280.376 -0.402 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001124872488 813491595 /nfs/dbraw/zinc/49/15/95/813491595.db2.gz HPOMKRJJLQEVTA-NSHDSACASA-N 2 1 268.361 -0.935 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124872534 813492222 /nfs/dbraw/zinc/49/22/22/813492222.db2.gz JFGUDJBWSRDEER-LLVKDONJSA-N 2 1 270.377 -0.689 20 0 CBADMP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124872793 813492647 /nfs/dbraw/zinc/49/26/47/813492647.db2.gz MZDGGOUUNIEAJD-GFCCVEGCSA-N 2 1 294.403 -0.094 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124872710 813492684 /nfs/dbraw/zinc/49/26/84/813492684.db2.gz LUPFRFCGCGUASR-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124879540 813493619 /nfs/dbraw/zinc/49/36/19/813493619.db2.gz VVDSZOHIDLMNCZ-GFCCVEGCSA-N 2 1 299.419 -0.506 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C ZINC001124879470 813493948 /nfs/dbraw/zinc/49/39/48/813493948.db2.gz UNTPJYSJPHAUDX-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP COc1cc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)on1 ZINC001124879111 813494044 /nfs/dbraw/zinc/49/40/44/813494044.db2.gz PZJQPCQCTZSSRI-LLVKDONJSA-N 2 1 282.344 -0.017 20 0 CBADMP COc1cc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)on1 ZINC001124879111 813494054 /nfs/dbraw/zinc/49/40/54/813494054.db2.gz PZJQPCQCTZSSRI-LLVKDONJSA-N 2 1 282.344 -0.017 20 0 CBADMP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124879118 813494146 /nfs/dbraw/zinc/49/41/46/813494146.db2.gz QBLCFMQJLMKFDV-NEPJUHHUSA-N 2 1 257.378 -0.053 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001124873510 813494166 /nfs/dbraw/zinc/49/41/66/813494166.db2.gz WHJGZVPZVUPDRV-CYBMUJFWSA-N 2 1 296.415 -0.155 20 0 CBADMP CCn1nc(C)c(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001124878427 813494944 /nfs/dbraw/zinc/49/49/44/813494944.db2.gz MAPCNRAQRSXFMZ-CYBMUJFWSA-N 2 1 294.403 -0.094 20 0 CBADMP CCn1nc(C)c(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001124878427 813494948 /nfs/dbraw/zinc/49/49/48/813494948.db2.gz MAPCNRAQRSXFMZ-CYBMUJFWSA-N 2 1 294.403 -0.094 20 0 CBADMP Cn1nncc1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124873571 813495345 /nfs/dbraw/zinc/49/53/45/813495345.db2.gz YLXRQZUVTHQGRN-LLVKDONJSA-N 2 1 266.349 -0.885 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cccnc2)C1 ZINC001125213337 813531874 /nfs/dbraw/zinc/53/18/74/813531874.db2.gz FNZYISPRWBDYCY-ZDUSSCGKSA-N 2 1 278.356 -0.382 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cccnc2)C1 ZINC001125213337 813531882 /nfs/dbraw/zinc/53/18/82/813531882.db2.gz FNZYISPRWBDYCY-ZDUSSCGKSA-N 2 1 278.356 -0.382 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCC[C@@H]2CCOC2)C1 ZINC001125220427 813531937 /nfs/dbraw/zinc/53/19/37/813531937.db2.gz HSFRRHWLVFOUFV-ZIAGYGMSSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCC[C@@H]2CCOC2)C1 ZINC001125220427 813531943 /nfs/dbraw/zinc/53/19/43/813531943.db2.gz HSFRRHWLVFOUFV-ZIAGYGMSSA-N 2 1 299.415 -0.161 20 0 CBADMP CO[C@H](C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCC1 ZINC001125220161 813532150 /nfs/dbraw/zinc/53/21/50/813532150.db2.gz DCXDLUPUPPUSQC-KGLIPLIRSA-N 2 1 299.415 -0.162 20 0 CBADMP CO[C@H](C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCC1 ZINC001125220161 813532152 /nfs/dbraw/zinc/53/21/52/813532152.db2.gz DCXDLUPUPPUSQC-KGLIPLIRSA-N 2 1 299.415 -0.162 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCC[C@H]2CCOC2)C1 ZINC001125220420 813532815 /nfs/dbraw/zinc/53/28/15/813532815.db2.gz HSFRRHWLVFOUFV-KBPBESRZSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCC[C@H]2CCOC2)C1 ZINC001125220420 813532825 /nfs/dbraw/zinc/53/28/25/813532825.db2.gz HSFRRHWLVFOUFV-KBPBESRZSA-N 2 1 299.415 -0.161 20 0 CBADMP CCO[C@@H](C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001125219765 813533093 /nfs/dbraw/zinc/53/30/93/813533093.db2.gz BJXBNAVXHLGWQC-UONOGXRCSA-N 2 1 299.415 -0.162 20 0 CBADMP CCO[C@@H](C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001125219765 813533100 /nfs/dbraw/zinc/53/31/00/813533100.db2.gz BJXBNAVXHLGWQC-UONOGXRCSA-N 2 1 299.415 -0.162 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cncs2)C1 ZINC001125220214 813533664 /nfs/dbraw/zinc/53/36/64/813533664.db2.gz FPTRFPFNRWMMQC-LLVKDONJSA-N 2 1 284.385 -0.321 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cncs2)C1 ZINC001125220214 813533669 /nfs/dbraw/zinc/53/36/69/813533669.db2.gz FPTRFPFNRWMMQC-LLVKDONJSA-N 2 1 284.385 -0.321 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCCCO2)C1 ZINC001125221663 813534326 /nfs/dbraw/zinc/53/43/26/813534326.db2.gz RSYRDBGTSRKMRM-QWHCGFSZSA-N 2 1 285.388 -0.408 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCCCO2)C1 ZINC001125221663 813534330 /nfs/dbraw/zinc/53/43/30/813534330.db2.gz RSYRDBGTSRKMRM-QWHCGFSZSA-N 2 1 285.388 -0.408 20 0 CBADMP CCOC1CC(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001125220878 813536133 /nfs/dbraw/zinc/53/61/33/813536133.db2.gz LVHSBIRCDBEAPT-JXQTWKCFSA-N 2 1 299.415 -0.162 20 0 CBADMP CCOC1CC(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001125220878 813536139 /nfs/dbraw/zinc/53/61/39/813536139.db2.gz LVHSBIRCDBEAPT-JXQTWKCFSA-N 2 1 299.415 -0.162 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCCOC2)C1 ZINC001125221698 813536225 /nfs/dbraw/zinc/53/62/25/813536225.db2.gz SLTMPJRZQYWJHA-QWHCGFSZSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCCOC2)C1 ZINC001125221698 813536239 /nfs/dbraw/zinc/53/62/39/813536239.db2.gz SLTMPJRZQYWJHA-QWHCGFSZSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C/C=C/Cl)C1 ZINC001125226414 813538776 /nfs/dbraw/zinc/53/87/76/813538776.db2.gz BCFVHCJLPAHQMA-PBKGFPTLSA-N 2 1 261.753 -0.225 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C/C=C/Cl)C1 ZINC001125226414 813538778 /nfs/dbraw/zinc/53/87/78/813538778.db2.gz BCFVHCJLPAHQMA-PBKGFPTLSA-N 2 1 261.753 -0.225 20 0 CBADMP CC[C@@H](C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)OC ZINC001125223188 813538865 /nfs/dbraw/zinc/53/88/65/813538865.db2.gz YWDPIMIHVDSCGO-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[C@@H](C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)OC ZINC001125223188 813538871 /nfs/dbraw/zinc/53/88/71/813538871.db2.gz YWDPIMIHVDSCGO-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001125226629 813539108 /nfs/dbraw/zinc/53/91/08/813539108.db2.gz FIVZLHLEIDDAOQ-RYUDHWBXSA-N 2 1 271.361 -0.941 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001125226629 813539116 /nfs/dbraw/zinc/53/91/16/813539116.db2.gz FIVZLHLEIDDAOQ-RYUDHWBXSA-N 2 1 271.361 -0.941 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001127065664 813709642 /nfs/dbraw/zinc/70/96/42/813709642.db2.gz CUNUUECIHUJGKL-NEPJUHHUSA-N 2 1 282.388 -0.547 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001127065598 813709811 /nfs/dbraw/zinc/70/98/11/813709811.db2.gz BUUYLMSQEGQTET-RYUDHWBXSA-N 2 1 257.378 -0.054 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001127065596 813710150 /nfs/dbraw/zinc/71/01/50/813710150.db2.gz BUUYLMSQEGQTET-NEPJUHHUSA-N 2 1 257.378 -0.054 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001127067496 813710403 /nfs/dbraw/zinc/71/04/03/813710403.db2.gz YKUNCVFCBGPCHK-CYBMUJFWSA-N 2 1 294.403 -0.106 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127077669 813711855 /nfs/dbraw/zinc/71/18/55/813711855.db2.gz GVQTUYGUYHQQJP-NEPJUHHUSA-N 2 1 284.404 -0.301 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127077672 813711935 /nfs/dbraw/zinc/71/19/35/813711935.db2.gz GVQTUYGUYHQQJP-VXGBXAGGSA-N 2 1 284.404 -0.301 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256544 813721060 /nfs/dbraw/zinc/72/10/60/813721060.db2.gz OVMWIDXPFLZNJD-VXGBXAGGSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001127637931 813740014 /nfs/dbraw/zinc/74/00/14/813740014.db2.gz CMJKIELJAAIBAP-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)CC[N@H+]1C ZINC001127685465 813741702 /nfs/dbraw/zinc/74/17/02/813741702.db2.gz OYZGMUPJXOMKDM-DGCLKSJQSA-N 2 1 296.415 -0.441 20 0 CBADMP CC(C)OCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127760321 813746836 /nfs/dbraw/zinc/74/68/36/813746836.db2.gz JEGHPCWXODIPLX-KGLIPLIRSA-N 2 1 299.415 -0.020 20 0 CBADMP O=C(NCC[NH2+]CCCF)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779925 813749586 /nfs/dbraw/zinc/74/95/86/813749586.db2.gz SXQWHARXLPWCRX-RYUDHWBXSA-N 2 1 273.352 -0.085 20 0 CBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001128773888 813797141 /nfs/dbraw/zinc/79/71/41/813797141.db2.gz HSPMKACARXTKDJ-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001128773888 813797150 /nfs/dbraw/zinc/79/71/50/813797150.db2.gz HSPMKACARXTKDJ-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001128786815 813798704 /nfs/dbraw/zinc/79/87/04/813798704.db2.gz WIAHGWWBGYIKJF-ZDUSSCGKSA-N 2 1 287.404 -0.425 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001128786126 813799449 /nfs/dbraw/zinc/79/94/49/813799449.db2.gz RTDFJCBUKPRIDG-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP O=C(NCC[NH2+]CCCO)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364300 813838573 /nfs/dbraw/zinc/83/85/73/813838573.db2.gz RKZZHNXBKHLEPB-AWEZNQCLSA-N 2 1 299.415 -0.282 20 0 CBADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]CC1CC1 ZINC001129386539 813838767 /nfs/dbraw/zinc/83/87/67/813838767.db2.gz MTMRURKOOPZCEC-CYBMUJFWSA-N 2 1 279.388 -0.071 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129386820 813839004 /nfs/dbraw/zinc/83/90/04/813839004.db2.gz POSHKVHDRXSVEF-CYBMUJFWSA-N 2 1 297.403 -0.444 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129362738 813839170 /nfs/dbraw/zinc/83/91/70/813839170.db2.gz CGIJPJGEVOKSOU-ZDUSSCGKSA-N 2 1 285.388 -0.672 20 0 CBADMP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129386447 813839229 /nfs/dbraw/zinc/83/92/29/813839229.db2.gz LGRRBYYGEYVCIT-STQMWFEESA-N 2 1 297.403 -0.446 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)nn1 ZINC001129358627 813839388 /nfs/dbraw/zinc/83/93/88/813839388.db2.gz VPOIBHSRRPFVJI-UHFFFAOYSA-N 2 1 294.403 -0.012 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129411242 813840625 /nfs/dbraw/zinc/84/06/25/813840625.db2.gz YCESJWIWFXWNOA-GFCCVEGCSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129423295 813842714 /nfs/dbraw/zinc/84/27/14/813842714.db2.gz RRIRLKQNMPPKAF-QWRGUYRKSA-N 2 1 266.345 -0.153 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129421792 813842764 /nfs/dbraw/zinc/84/27/64/813842764.db2.gz CLTFNEDHODUGFU-WDEREUQCSA-N 2 1 293.371 -0.399 20 0 CBADMP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129416862 813843114 /nfs/dbraw/zinc/84/31/14/813843114.db2.gz KJDIPJSCXMAZNF-GHMZBOCLSA-N 2 1 291.355 -0.645 20 0 CBADMP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129416864 813843809 /nfs/dbraw/zinc/84/38/09/813843809.db2.gz KJDIPJSCXMAZNF-QWRGUYRKSA-N 2 1 291.355 -0.645 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001129418989 813843977 /nfs/dbraw/zinc/84/39/77/813843977.db2.gz ZTGUHRZPLAITPK-QWHCGFSZSA-N 2 1 296.415 -0.156 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001129435120 813844069 /nfs/dbraw/zinc/84/40/69/813844069.db2.gz BIDWLBAGXPFICV-CYBMUJFWSA-N 2 1 279.388 -0.034 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)nn1 ZINC001129532309 813848615 /nfs/dbraw/zinc/84/86/15/813848615.db2.gz YLYAQZJYOSSMGY-UHFFFAOYSA-N 2 1 280.376 -0.495 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)nn1 ZINC001129532309 813848630 /nfs/dbraw/zinc/84/86/30/813848630.db2.gz YLYAQZJYOSSMGY-UHFFFAOYSA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)c1nnnn1C ZINC001129532149 813848736 /nfs/dbraw/zinc/84/87/36/813848736.db2.gz SHTAEJIFQZRYLG-SNVBAGLBSA-N 2 1 295.391 -0.539 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)c1nnnn1C ZINC001129532149 813848746 /nfs/dbraw/zinc/84/87/46/813848746.db2.gz SHTAEJIFQZRYLG-SNVBAGLBSA-N 2 1 295.391 -0.539 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001129531960 813849943 /nfs/dbraw/zinc/84/99/43/813849943.db2.gz NUSGHINTIQKNHT-SECBINFHSA-N 2 1 256.350 -0.950 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129526445 813850335 /nfs/dbraw/zinc/85/03/35/813850335.db2.gz HJQWQPRYOPNJSI-UHFFFAOYSA-N 2 1 294.403 -0.012 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129526445 813850346 /nfs/dbraw/zinc/85/03/46/813850346.db2.gz HJQWQPRYOPNJSI-UHFFFAOYSA-N 2 1 294.403 -0.012 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)NC1CC1 ZINC001129535395 813850771 /nfs/dbraw/zinc/85/07/71/813850771.db2.gz PROLCSCPKAYUQM-NSHDSACASA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)N(C)C ZINC001129532250 813850800 /nfs/dbraw/zinc/85/08/00/813850800.db2.gz WYANEIRKFKUHKN-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+]CC(=O)N1CCCC1)C1CCC1 ZINC001129526743 813851062 /nfs/dbraw/zinc/85/10/62/813851062.db2.gz QBTYIQCNEWPFCV-UHFFFAOYSA-N 2 1 296.415 -0.201 20 0 CBADMP CN1CC[C@H]([NH2+]CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001129839518 813871537 /nfs/dbraw/zinc/87/15/37/813871537.db2.gz AWROBTJDMYBMBZ-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129855445 813871836 /nfs/dbraw/zinc/87/18/36/813871836.db2.gz DPNDUUABMSHREK-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129855445 813871843 /nfs/dbraw/zinc/87/18/43/813871843.db2.gz DPNDUUABMSHREK-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCCO2)O1 ZINC001130182554 813915024 /nfs/dbraw/zinc/91/50/24/813915024.db2.gz NCSLBCNQMRDYAP-HZSPNIEDSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCCO2)O1 ZINC001130182554 813915028 /nfs/dbraw/zinc/91/50/28/813915028.db2.gz NCSLBCNQMRDYAP-HZSPNIEDSA-N 2 1 299.415 -0.020 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130187515 813915758 /nfs/dbraw/zinc/91/57/58/813915758.db2.gz WZOCPRQYNLKJAP-GHMZBOCLSA-N 2 1 268.361 -0.806 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001130297145 813922606 /nfs/dbraw/zinc/92/26/06/813922606.db2.gz IPXHBCKQPHCVNB-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130297268 813922761 /nfs/dbraw/zinc/92/27/61/813922761.db2.gz JVWBTYBXDBVXLJ-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001130303406 813925102 /nfs/dbraw/zinc/92/51/02/813925102.db2.gz BMRGILUQYXHZJI-LBPRGKRZSA-N 2 1 280.376 -0.532 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CCn1cncn1 ZINC001130427341 813938470 /nfs/dbraw/zinc/93/84/70/813938470.db2.gz MAWRYVVUYLFDRV-UHFFFAOYSA-N 2 1 282.392 -0.286 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001130419032 813938809 /nfs/dbraw/zinc/93/88/09/813938809.db2.gz IRIOUGQASBNRNR-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001130711084 813967838 /nfs/dbraw/zinc/96/78/38/813967838.db2.gz MXXXWCLTZSUZSB-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001131379964 814026011 /nfs/dbraw/zinc/02/60/11/814026011.db2.gz ABCYNCUEFXOUNV-UHFFFAOYSA-N 2 1 277.332 -0.774 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001131387735 814026533 /nfs/dbraw/zinc/02/65/33/814026533.db2.gz ZBPDBCNOVOTQLL-LBPRGKRZSA-N 2 1 266.345 -0.066 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001131387489 814027337 /nfs/dbraw/zinc/02/73/37/814027337.db2.gz RENBDWZOJIMUCL-NSHDSACASA-N 2 1 293.371 -0.436 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1cncn1C ZINC001131377205 814027755 /nfs/dbraw/zinc/02/77/55/814027755.db2.gz LGFOLAQUNQAZHL-UHFFFAOYSA-N 2 1 276.344 -0.169 20 0 CBADMP COC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131522134 814037692 /nfs/dbraw/zinc/03/76/92/814037692.db2.gz UFYDBWWEADTXPN-KLNSDEMFSA-N 2 1 297.399 -0.410 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525783 814037791 /nfs/dbraw/zinc/03/77/91/814037791.db2.gz KCXSKIZFGHEACB-JVWICGRDSA-N 2 1 297.399 -0.408 20 0 CBADMP CCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525978 814038034 /nfs/dbraw/zinc/03/80/34/814038034.db2.gz SSDOPWZWMXWGRQ-MBHSVXNSSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CC(N)=O ZINC001132270657 814117988 /nfs/dbraw/zinc/11/79/88/814117988.db2.gz UVGNNGBUOVNDOC-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC(N)=O ZINC001132270657 814117996 /nfs/dbraw/zinc/11/79/96/814117996.db2.gz UVGNNGBUOVNDOC-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]CCO)C1 ZINC001132738523 814183329 /nfs/dbraw/zinc/18/33/29/814183329.db2.gz GYMOEABAOBXFIM-LBPRGKRZSA-N 2 1 257.378 -0.194 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886128 814198124 /nfs/dbraw/zinc/19/81/24/814198124.db2.gz CWMSWOYAGPONDF-RWMBFGLXSA-N 2 1 287.404 -0.570 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)c1nncn1C ZINC001133042612 814212765 /nfs/dbraw/zinc/21/27/65/814212765.db2.gz LCWDLUUELJNONE-LLVKDONJSA-N 2 1 282.392 -0.076 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285675 814235438 /nfs/dbraw/zinc/23/54/38/814235438.db2.gz COPANZSWSZQYRA-UHFFFAOYSA-N 2 1 280.376 -0.637 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133286098 814236350 /nfs/dbraw/zinc/23/63/50/814236350.db2.gz WTKNNLUTJZBNLU-UHFFFAOYSA-N 2 1 294.403 -0.154 20 0 CBADMP Cc1nnc([C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C)[nH]1 ZINC001133287586 814236565 /nfs/dbraw/zinc/23/65/65/814236565.db2.gz JKHMRLRWDJOKKR-VIFPVBQESA-N 2 1 268.365 -0.168 20 0 CBADMP CCc1nnc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1C ZINC001133295009 814238984 /nfs/dbraw/zinc/23/89/84/814238984.db2.gz ZRDZAIXLEGISIG-UHFFFAOYSA-N 2 1 282.392 -0.465 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133819667 814299174 /nfs/dbraw/zinc/29/91/74/814299174.db2.gz KQLBHMTUGBCNND-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001133819844 814299737 /nfs/dbraw/zinc/29/97/37/814299737.db2.gz PNOVMVJZKFEFFI-MNOVXSKESA-N 2 1 268.361 -0.935 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001133819846 814300246 /nfs/dbraw/zinc/30/02/46/814300246.db2.gz PNOVMVJZKFEFFI-WDEREUQCSA-N 2 1 268.361 -0.935 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001133820035 814300323 /nfs/dbraw/zinc/30/03/23/814300323.db2.gz WBLRYJDXTRTTJR-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133823405 814301182 /nfs/dbraw/zinc/30/11/82/814301182.db2.gz FNXQJOCZASAIJA-WDEREUQCSA-N 2 1 270.377 -0.689 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C[N@@H+]2CCC[C@H]2C)nn1 ZINC001133823739 814302405 /nfs/dbraw/zinc/30/24/05/814302405.db2.gz NDOQWCQSQHIKIA-GFCCVEGCSA-N 2 1 294.403 -0.012 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C[N@H+]2CCC[C@H]2C)nn1 ZINC001133823739 814302412 /nfs/dbraw/zinc/30/24/12/814302412.db2.gz NDOQWCQSQHIKIA-GFCCVEGCSA-N 2 1 294.403 -0.012 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001133824003 814302702 /nfs/dbraw/zinc/30/27/02/814302702.db2.gz VQVRKXPADVTXBR-GFCCVEGCSA-N 2 1 297.403 -0.798 20 0 CBADMP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133846294 814307152 /nfs/dbraw/zinc/30/71/52/814307152.db2.gz YECCYPKNSVKIPQ-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NC1CC1 ZINC001133849638 814309636 /nfs/dbraw/zinc/30/96/36/814309636.db2.gz BDEMDBSMUUICQZ-NWDGAFQWSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2nccn2C)C1 ZINC001133853421 814310829 /nfs/dbraw/zinc/31/08/29/814310829.db2.gz IRKKKAYMIDMNTI-GFCCVEGCSA-N 2 1 279.388 -0.032 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2nccn2C)C1 ZINC001133853421 814310836 /nfs/dbraw/zinc/31/08/36/814310836.db2.gz IRKKKAYMIDMNTI-GFCCVEGCSA-N 2 1 279.388 -0.032 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCc1ccnn1C ZINC001133862329 814311745 /nfs/dbraw/zinc/31/17/45/814311745.db2.gz CORSBCZGLLIIHH-JSGCOSHPSA-N 2 1 293.415 -0.134 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnns1 ZINC001133862291 814311780 /nfs/dbraw/zinc/31/17/80/814311780.db2.gz CAIFLTSHEQWWAF-KOLCDFICSA-N 2 1 283.401 -0.058 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnns1 ZINC001133862291 814311788 /nfs/dbraw/zinc/31/17/88/814311788.db2.gz CAIFLTSHEQWWAF-KOLCDFICSA-N 2 1 283.401 -0.058 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133863926 814312406 /nfs/dbraw/zinc/31/24/06/814312406.db2.gz RHPDXNLTYQAEBI-VXGBXAGGSA-N 2 1 284.404 -0.584 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001133866579 814313972 /nfs/dbraw/zinc/31/39/72/814313972.db2.gz NNCMHBCREGFQES-RYUDHWBXSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cncn1C ZINC001133866724 814314442 /nfs/dbraw/zinc/31/44/42/814314442.db2.gz OFTIURDAXPZSOI-AAEUAGOBSA-N 2 1 279.388 -0.176 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133869576 814315434 /nfs/dbraw/zinc/31/54/34/814315434.db2.gz HCXPXUZABBYLJB-NEPJUHHUSA-N 2 1 294.403 -0.299 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133869576 814315443 /nfs/dbraw/zinc/31/54/43/814315443.db2.gz HCXPXUZABBYLJB-NEPJUHHUSA-N 2 1 294.403 -0.299 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001133864019 814316089 /nfs/dbraw/zinc/31/60/89/814316089.db2.gz SWRQQFSCPFXDBB-TZMCWYRMSA-N 2 1 293.415 -0.134 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001133869494 814316112 /nfs/dbraw/zinc/31/61/12/814316112.db2.gz FFPSEFZECMXRCV-JQWIXIFHSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001133869494 814316121 /nfs/dbraw/zinc/31/61/21/814316121.db2.gz FFPSEFZECMXRCV-JQWIXIFHSA-N 2 1 280.376 -0.781 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133873354 814316837 /nfs/dbraw/zinc/31/68/37/814316837.db2.gz WGCHRNWXIGKUSI-UHFFFAOYSA-N 2 1 270.377 -0.830 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133869725 814317793 /nfs/dbraw/zinc/31/77/93/814317793.db2.gz KCMCXCFHBNYWOQ-OLZOCXBDSA-N 2 1 298.431 -0.242 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133870144 814318751 /nfs/dbraw/zinc/31/87/51/814318751.db2.gz QPZPZCMCTCWMRG-NEPJUHHUSA-N 2 1 284.404 -0.586 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+]CC(=O)NC1CC1)CC(C)(C)C ZINC001133899326 814320129 /nfs/dbraw/zinc/32/01/29/814320129.db2.gz CEGSRKKZYFIKGP-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001133893313 814321111 /nfs/dbraw/zinc/32/11/11/814321111.db2.gz CACJEJOVZCZNDZ-LLVKDONJSA-N 2 1 282.388 -0.687 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C)C(N)=O ZINC001134570060 814397685 /nfs/dbraw/zinc/39/76/85/814397685.db2.gz HREWMCNSWQTUKA-LLVKDONJSA-N 2 1 295.387 -0.024 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134776163 814413104 /nfs/dbraw/zinc/41/31/04/814413104.db2.gz KCQYGOSSEQZYPL-UHFFFAOYSA-N 2 1 294.403 -0.247 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135092650 814437635 /nfs/dbraw/zinc/43/76/35/814437635.db2.gz AIDKBLTYCISVNF-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135095683 814437850 /nfs/dbraw/zinc/43/78/50/814437850.db2.gz NTGKYQHXKBCFOO-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135307061 814460282 /nfs/dbraw/zinc/46/02/82/814460282.db2.gz NHPIAGJJVGYAQZ-CYBMUJFWSA-N 2 1 298.387 -0.315 20 0 CBADMP C[C@H](O)C[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135323186 814460550 /nfs/dbraw/zinc/46/05/50/814460550.db2.gz NXHULFPIWVJRKO-ZDUSSCGKSA-N 2 1 287.404 -0.425 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135305068 814460605 /nfs/dbraw/zinc/46/06/05/814460605.db2.gz HSJHJBIMBUQGNI-UHFFFAOYSA-N 2 1 281.360 -0.576 20 0 CBADMP C[C@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)CC[NH+](C)C ZINC001135373586 814470690 /nfs/dbraw/zinc/47/06/90/814470690.db2.gz XDIHPYVOACMEBS-WDEREUQCSA-N 2 1 297.407 -0.465 20 0 CBADMP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001135507921 814479884 /nfs/dbraw/zinc/47/98/84/814479884.db2.gz BOTHUPCCQNROHH-UHFFFAOYSA-N 2 1 267.377 -0.032 20 0 CBADMP O=C([C@@H]1CC[NH2+]1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156463 815612328 /nfs/dbraw/zinc/61/23/28/815612328.db2.gz QBKGNTBNFRRLFS-XQQFMLRXSA-N 2 1 265.357 -0.330 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001160272469 815614364 /nfs/dbraw/zinc/61/43/64/815614364.db2.gz AVXNAJYWKYCWLL-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CCO ZINC001160274814 815614378 /nfs/dbraw/zinc/61/43/78/815614378.db2.gz XIUNIXRBSJNGDS-LBPRGKRZSA-N 2 1 257.378 -0.051 20 0 CBADMP CC1CC[NH+](CC(=O)NCC[NH2+]Cc2nncn2C)CC1 ZINC001135707023 814513025 /nfs/dbraw/zinc/51/30/25/814513025.db2.gz RMEZDKFNROJZIE-UHFFFAOYSA-N 2 1 294.403 -0.247 20 0 CBADMP C[C@H](O)C[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135892555 814534481 /nfs/dbraw/zinc/53/44/81/814534481.db2.gz PEMLVQCQBSGPHB-NSHDSACASA-N 2 1 289.339 -0.033 20 0 CBADMP O=C(NCC[NH2+]CCCO)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135906049 814535706 /nfs/dbraw/zinc/53/57/06/814535706.db2.gz RAGUFNDWKKJBNG-UHFFFAOYSA-N 2 1 289.339 -0.031 20 0 CBADMP CC[N@@H+]1CC[C@H]1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC001139828204 814627531 /nfs/dbraw/zinc/62/75/31/814627531.db2.gz PEZLNKGPEPBQAO-JSGCOSHPSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[N@H+]1CC[C@H]1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC001139828204 814627557 /nfs/dbraw/zinc/62/75/57/814627557.db2.gz PEZLNKGPEPBQAO-JSGCOSHPSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC001140115728 814632106 /nfs/dbraw/zinc/63/21/06/814632106.db2.gz CPVUFMCTEWECAC-YNEHKIRRSA-N 2 1 267.373 -0.252 20 0 CBADMP CC[N@H+]1CC[C@@H]1C(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC001140115728 814632111 /nfs/dbraw/zinc/63/21/11/814632111.db2.gz CPVUFMCTEWECAC-YNEHKIRRSA-N 2 1 267.373 -0.252 20 0 CBADMP CC[NH+]1CC[C@@H]1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001140115728 814632114 /nfs/dbraw/zinc/63/21/14/814632114.db2.gz CPVUFMCTEWECAC-YNEHKIRRSA-N 2 1 267.373 -0.252 20 0 CBADMP CC[NH+]1CC[C@@H]1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001140115728 814632118 /nfs/dbraw/zinc/63/21/18/814632118.db2.gz CPVUFMCTEWECAC-YNEHKIRRSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+](C)CCCN1CC[NH+](CC2C(=O)N=CNC2=O)CC1 ZINC001140472170 814637902 /nfs/dbraw/zinc/63/79/02/814637902.db2.gz MHNFITRFLKIVHD-UHFFFAOYSA-N 2 1 295.387 -0.043 20 0 CBADMP CC[C@H]1N(C(=O)[C@@H]([NH3+])CC[NH3+])CCC[C@]12CCC(=O)N2 ZINC001159585650 815581226 /nfs/dbraw/zinc/58/12/26/815581226.db2.gz QFUYDJBRIIMDPE-WDMOLILDSA-N 2 1 282.388 -0.288 20 0 CBADMP C[NH+]1CCN(CCC(=O)n2ccc(C[NH3+])cc2=N)CC1 ZINC001143236422 814764542 /nfs/dbraw/zinc/76/45/42/814764542.db2.gz FWTPWFYPHGARHK-UHFFFAOYSA-N 2 1 277.372 -0.296 20 0 CBADMP CN(CC(=O)N[C@@H](C[NH+]1CCOCC1)C(C)(C)C)C(N)=[NH2+] ZINC001144149150 814773734 /nfs/dbraw/zinc/77/37/34/814773734.db2.gz HBYRMWRMNPEIFU-NSHDSACASA-N 2 1 299.419 -0.325 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001146595280 814841671 /nfs/dbraw/zinc/84/16/71/814841671.db2.gz YFEWQFUSQVUCRO-GHMZBOCLSA-N 2 1 272.393 -0.315 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001146709673 814843411 /nfs/dbraw/zinc/84/34/11/814843411.db2.gz ARWCSUKPUOHLQI-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001146718836 814845162 /nfs/dbraw/zinc/84/51/62/814845162.db2.gz HJUKBJCUTIRZGP-UHFFFAOYSA-N 2 1 267.377 -0.032 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001146718836 814845165 /nfs/dbraw/zinc/84/51/65/814845165.db2.gz HJUKBJCUTIRZGP-UHFFFAOYSA-N 2 1 267.377 -0.032 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001146719307 814845332 /nfs/dbraw/zinc/84/53/32/814845332.db2.gz POEMZGZCOBRQDU-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CCn1ccnc1C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842100 814918803 /nfs/dbraw/zinc/91/88/03/814918803.db2.gz MOIVVHJRWHLVHB-UHFFFAOYSA-N 2 1 297.403 -0.313 20 0 CBADMP Cc1ncc(CO)c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1O ZINC001147844496 814918913 /nfs/dbraw/zinc/91/89/13/814918913.db2.gz QXRDHDWNSOCQRG-UHFFFAOYSA-N 2 1 295.343 -0.338 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)c1nncn1C ZINC001147848575 814920300 /nfs/dbraw/zinc/92/03/00/814920300.db2.gz PZGMZORCRHHMMB-LLVKDONJSA-N 2 1 298.391 -0.840 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877565 814922048 /nfs/dbraw/zinc/92/20/48/814922048.db2.gz LQTZWKVSJOBZCL-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878211 814922109 /nfs/dbraw/zinc/92/21/09/814922109.db2.gz VCSITMBETISWDK-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877153 814922907 /nfs/dbraw/zinc/92/29/07/814922907.db2.gz DJKQBXKYMWPUPY-LBPRGKRZSA-N 2 1 284.404 -0.441 20 0 CBADMP CN1CCC[C@H]([NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001147884255 814923285 /nfs/dbraw/zinc/92/32/85/814923285.db2.gz CJTBARSMYXUARX-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001147885959 814923357 /nfs/dbraw/zinc/92/33/57/814923357.db2.gz QOCNZAKMDRISPM-GFCCVEGCSA-N 2 1 297.403 -0.941 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878091 814923374 /nfs/dbraw/zinc/92/33/74/814923374.db2.gz RPVRHGVLDWNMBQ-LLVKDONJSA-N 2 1 270.377 -0.830 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001147886277 814923869 /nfs/dbraw/zinc/92/38/69/814923869.db2.gz SWTYZGBPYVCUQR-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147886582 814923927 /nfs/dbraw/zinc/92/39/27/814923927.db2.gz XZPZTGJQOKBMBB-NWDGAFQWSA-N 2 1 273.377 -0.959 20 0 CBADMP [NH3+]C[C@@H](O)CC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160483132 815627628 /nfs/dbraw/zinc/62/76/28/815627628.db2.gz ODVUGPFRABXCOG-AWEZNQCLSA-N 2 1 292.383 -0.522 20 0 CBADMP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@H](N)CCC[NH3+] ZINC001160539623 815634022 /nfs/dbraw/zinc/63/40/22/815634022.db2.gz YPPCIESEBKXPBS-ZJUUUORDSA-N 2 1 278.360 -0.507 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001160539523 815634329 /nfs/dbraw/zinc/63/43/29/815634329.db2.gz WECFZXJCXNVWKH-UWVGGRQHSA-N 2 1 293.327 -0.682 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCc2nc(Cl)ncc2C1 ZINC001160575582 815640203 /nfs/dbraw/zinc/64/02/03/815640203.db2.gz DOYNXSPHOOQBLW-QMMMGPOBSA-N 2 1 269.736 -0.309 20 0 CBADMP COC(=O)C[C@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CCO1 ZINC001160596434 815643804 /nfs/dbraw/zinc/64/38/04/815643804.db2.gz OZHHLKGPTOWFAZ-LBPRGKRZSA-N 2 1 299.371 -0.882 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)CC2)c1 ZINC001160603700 815644394 /nfs/dbraw/zinc/64/43/94/815644394.db2.gz ZXVDGUACOUNMPH-CHWSQXEVSA-N 2 1 290.367 -0.381 20 0 CBADMP CN(C[C@H]1CCC[NH2+]C1)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160696066 815659163 /nfs/dbraw/zinc/65/91/63/815659163.db2.gz UBTTWYQZZVBWCZ-LBPRGKRZSA-N 3 1 268.405 -0.214 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCc2ccc(=O)[nH]c2CC1 ZINC001160757113 815668869 /nfs/dbraw/zinc/66/88/69/815668869.db2.gz YXDNTCMZGZLYGV-JTQLQIEISA-N 2 1 264.329 -0.610 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC2(C[C@@H](F)CO2)CC1 ZINC001160788231 815671253 /nfs/dbraw/zinc/67/12/53/815671253.db2.gz PPLIQZLMCXBBHN-ZJUUUORDSA-N 2 1 259.325 -0.218 20 0 CBADMP CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160788535 815672126 /nfs/dbraw/zinc/67/21/26/815672126.db2.gz SSTCOPDDWAYADV-KWQFWETISA-N 2 1 295.343 -0.925 20 0 CBADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001160825725 815674242 /nfs/dbraw/zinc/67/42/42/815674242.db2.gz JMIYYDRQAFFYBF-NEPJUHHUSA-N 2 1 291.355 -0.965 20 0 CBADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001160825982 815674591 /nfs/dbraw/zinc/67/45/91/815674591.db2.gz OSBYKXQSCNVRKB-LBPRGKRZSA-N 3 1 292.387 -0.621 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160851050 815680727 /nfs/dbraw/zinc/68/07/27/815680727.db2.gz OCICGZWYLWOQKU-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160851050 815680736 /nfs/dbraw/zinc/68/07/36/815680736.db2.gz OCICGZWYLWOQKU-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N(CCO)CC(F)(F)F ZINC001160909360 815686467 /nfs/dbraw/zinc/68/64/67/815686467.db2.gz SOAOEKBQOHDWLK-UHFFFAOYSA-N 2 1 283.294 -0.289 20 0 CBADMP [NH3+][C@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC(F)(F)C1 ZINC001160968687 815693519 /nfs/dbraw/zinc/69/35/19/815693519.db2.gz UVSGMMVMSGGHAW-SECBINFHSA-N 3 1 276.331 -0.477 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000274 815694566 /nfs/dbraw/zinc/69/45/66/815694566.db2.gz QQROZGUPYBSEKI-ZDUSSCGKSA-N 3 1 296.415 -0.957 20 0 CBADMP Cn1ncc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001161040803 815701709 /nfs/dbraw/zinc/70/17/09/815701709.db2.gz CTYGNDULAHWDNT-CYBMUJFWSA-N 2 1 294.403 -0.105 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@]2(N)CC[NH2+]C2)C1 ZINC001161050057 815702897 /nfs/dbraw/zinc/70/28/97/815702897.db2.gz KIONQWBNVPHWEZ-YPMHNXCESA-N 2 1 254.378 -0.382 20 0 CBADMP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC001161049651 815703065 /nfs/dbraw/zinc/70/30/65/815703065.db2.gz GVUUSZBSXJYPQB-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC001161049651 815703074 /nfs/dbraw/zinc/70/30/74/815703074.db2.gz GVUUSZBSXJYPQB-RYUDHWBXSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001161043023 815704280 /nfs/dbraw/zinc/70/42/80/815704280.db2.gz WNSUJQHGUBNBMR-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161050385 815705000 /nfs/dbraw/zinc/70/50/00/815705000.db2.gz MPPAZXNWTHQBDG-CHWSQXEVSA-N 2 1 296.415 -0.742 20 0 CBADMP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2)[C@H]1CCCC[C@H]1[NH3+] ZINC001161060777 815705280 /nfs/dbraw/zinc/70/52/80/815705280.db2.gz CWZFKWWWWWWIPJ-SSKLVLDBSA-N 2 1 266.389 -0.064 20 0 CBADMP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC001161052920 815706158 /nfs/dbraw/zinc/70/61/58/815706158.db2.gz PFTIFLQRUNCOKZ-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)C1(C)CC[NH2+]CC1 ZINC001161072871 815706681 /nfs/dbraw/zinc/70/66/81/815706681.db2.gz HUPVOTCYZRSSPY-CYBMUJFWSA-N 2 1 297.447 -0.663 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(C)C1(C)CC[NH2+]CC1 ZINC001161068400 815706792 /nfs/dbraw/zinc/70/67/92/815706792.db2.gz PXOZEXUVLLXLHP-JTQLQIEISA-N 2 1 271.361 -0.133 20 0 CBADMP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2)C1(C)CC[NH2+]CC1 ZINC001161066960 815707678 /nfs/dbraw/zinc/70/76/78/815707678.db2.gz FBWDQTHLVMKYIG-GYSYKLTISA-N 2 1 266.389 -0.191 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@@H]21 ZINC001161081687 815708970 /nfs/dbraw/zinc/70/89/70/815708970.db2.gz LRLNPTDFAHBQJE-UPJWGTAASA-N 3 1 278.400 -0.652 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@H]21 ZINC001161080949 815709022 /nfs/dbraw/zinc/70/90/22/815709022.db2.gz AAQZPOCFHJEGCX-SDDRHHMPSA-N 3 1 286.445 -0.442 20 0 CBADMP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]21 ZINC001161080949 815709025 /nfs/dbraw/zinc/70/90/25/815709025.db2.gz AAQZPOCFHJEGCX-SDDRHHMPSA-N 2 1 286.445 -0.442 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]21 ZINC001161080949 815709030 /nfs/dbraw/zinc/70/90/30/815709030.db2.gz AAQZPOCFHJEGCX-SDDRHHMPSA-N 2 1 286.445 -0.442 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C[C@H]21 ZINC001161081354 815709248 /nfs/dbraw/zinc/70/92/48/815709248.db2.gz ITJSUPIDGDNUIN-WCFLWFBJSA-N 2 1 277.372 -0.168 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@H]21 ZINC001161081221 815709668 /nfs/dbraw/zinc/70/96/68/815709668.db2.gz HNKNBYPAOQJPMN-DSJMHWKBSA-N 3 1 292.427 -0.262 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C3(N)CC[NH2+]CC3)C[C@@H]21 ZINC001161080988 815710310 /nfs/dbraw/zinc/71/03/10/815710310.db2.gz AUZHPRYCABPCQD-NEPJUHHUSA-N 2 1 266.389 -0.380 20 0 CBADMP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@@H]2C1 ZINC001161174779 815724562 /nfs/dbraw/zinc/72/45/62/815724562.db2.gz FKXZIMCNOBLJDG-RVMXOQNASA-N 2 1 266.389 -0.524 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(N)CCC[NH2+]C3)C[C@H]2C1 ZINC001161174715 815724701 /nfs/dbraw/zinc/72/47/01/815724701.db2.gz CZYZAPYCYLWJDS-VNHYZAJKSA-N 2 1 280.416 -0.133 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161208119 815727514 /nfs/dbraw/zinc/72/75/14/815727514.db2.gz HWTPYMZRLXKTKM-ZDUSSCGKSA-N 3 1 268.405 -0.099 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001161226980 815730660 /nfs/dbraw/zinc/73/06/60/815730660.db2.gz SBQTWDYSYWYOKB-NSHDSACASA-N 2 1 286.420 -0.053 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC2(CCC(=O)N2)CC1 ZINC001161295873 815737091 /nfs/dbraw/zinc/73/70/91/815737091.db2.gz CXEPMBCQTGWVKI-UHFFFAOYSA-N 2 1 294.399 -0.401 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161273891 815737313 /nfs/dbraw/zinc/73/73/13/815737313.db2.gz JNTJFKWQLCPQKG-KBPBESRZSA-N 3 1 291.399 -0.162 20 0 CBADMP CCN(C(=O)CN1CC[NH+](C)CC1)[C@H]1CCC[NH2+]C1 ZINC001161329624 815741406 /nfs/dbraw/zinc/74/14/06/815741406.db2.gz ANFHSKZTMYKGON-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CCN(C(=O)C[NH2+]C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001161333625 815743332 /nfs/dbraw/zinc/74/33/32/815743332.db2.gz VKWANRLMANTJTE-CYBMUJFWSA-N 3 1 268.405 -0.072 20 0 CBADMP CCN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC001161342150 815745330 /nfs/dbraw/zinc/74/53/30/815745330.db2.gz ZJDZYRCEAGZQEY-ZIAGYGMSSA-N 2 1 297.447 -0.663 20 0 CBADMP CCN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC001161342147 815746361 /nfs/dbraw/zinc/74/63/61/815746361.db2.gz ZJDZYRCEAGZQEY-UONOGXRCSA-N 2 1 297.447 -0.663 20 0 CBADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[NH2+]C[C@@H]3F)C2)CC1 ZINC001161376790 815748818 /nfs/dbraw/zinc/74/88/18/815748818.db2.gz DFFHKRJFESULHD-RDBSUJKOSA-N 3 1 298.406 -0.042 20 0 CBADMP N[C@]1(C(=O)N2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)CCC[NH2+]C1 ZINC001161378241 815748864 /nfs/dbraw/zinc/74/88/64/815748864.db2.gz KXMLBCBSZADGNG-UKRRQHHQSA-N 3 1 295.431 -0.909 20 0 CBADMP C[NH2+]CCC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377973 815748875 /nfs/dbraw/zinc/74/88/75/815748875.db2.gz JVJBELWBLDYSEM-GFCCVEGCSA-N 3 1 254.378 -0.380 20 0 CBADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC001161381374 815749104 /nfs/dbraw/zinc/74/91/04/815749104.db2.gz YJNVXSVSPIDASZ-IGQOVBAYSA-N 3 1 278.400 -0.524 20 0 CBADMP C[NH+](C)CCN(C(=O)C[C@@H]1COCCN1)[C@@H]1CCC[NH2+]C1 ZINC001161448464 815756050 /nfs/dbraw/zinc/75/60/50/815756050.db2.gz CIBGVKQOSUYEDH-ZIAGYGMSSA-N 2 1 298.431 -0.493 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001161470856 815759113 /nfs/dbraw/zinc/75/91/13/815759113.db2.gz LEWLONGZSLMDSB-WDEREUQCSA-N 2 1 290.358 -0.006 20 0 CBADMP CN1C(=O)CC[C@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC[C@@H]21 ZINC001161483313 815760388 /nfs/dbraw/zinc/76/03/88/815760388.db2.gz LJUKERCOLGIBGB-DCAQKATOSA-N 2 1 268.361 -0.868 20 0 CBADMP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C1 ZINC001161489424 815761735 /nfs/dbraw/zinc/76/17/35/815761735.db2.gz MUJFAYUQOSAQPP-RFHZTLPTSA-N 2 1 266.389 -0.204 20 0 CBADMP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCNC2(CC2)C1 ZINC001161545483 815769075 /nfs/dbraw/zinc/76/90/75/815769075.db2.gz UPMZANWWNLNXBB-LBPRGKRZSA-N 2 1 278.400 -0.175 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NCCC[NH2+]CCO)no1 ZINC001161552706 815771170 /nfs/dbraw/zinc/77/11/70/815771170.db2.gz SQGZMRFSPXHPPI-UHFFFAOYSA-N 2 1 270.333 -0.562 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161552715 815772224 /nfs/dbraw/zinc/77/22/24/815772224.db2.gz STTSDCYYDDDOKI-UHFFFAOYSA-N 2 1 297.359 -0.808 20 0 CBADMP CCC[N@H+](C)CC(=O)NCCC1=CC[NH+](CC(N)=O)CC1 ZINC001161755155 815784578 /nfs/dbraw/zinc/78/45/78/815784578.db2.gz OETGMPTVODVISP-UHFFFAOYSA-N 2 1 296.415 -0.048 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](CC(N)=O)CC1 ZINC001161755155 815784581 /nfs/dbraw/zinc/78/45/81/815784581.db2.gz OETGMPTVODVISP-UHFFFAOYSA-N 2 1 296.415 -0.048 20 0 CBADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@H+](CC(N)=O)CC1 ZINC001161755155 815784586 /nfs/dbraw/zinc/78/45/86/815784586.db2.gz OETGMPTVODVISP-UHFFFAOYSA-N 2 1 296.415 -0.048 20 0 CBADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001161755155 815784588 /nfs/dbraw/zinc/78/45/88/815784588.db2.gz OETGMPTVODVISP-UHFFFAOYSA-N 2 1 296.415 -0.048 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162606246 815837049 /nfs/dbraw/zinc/83/70/49/815837049.db2.gz OCYKMVDPBMKMBB-LLVKDONJSA-N 2 1 281.360 -0.578 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1ncnn1C ZINC001162627944 815837871 /nfs/dbraw/zinc/83/78/71/815837871.db2.gz OMAKVOZNEMWJOK-UHFFFAOYSA-N 2 1 291.359 -0.384 20 0 CBADMP O=C(NCCC[NH2+]CCCO)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162851325 815846430 /nfs/dbraw/zinc/84/64/30/815846430.db2.gz NZDWCYJXKZLJBN-OWYJLGKBSA-N 2 1 297.399 -0.672 20 0 CBADMP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872641 815846744 /nfs/dbraw/zinc/84/67/44/815846744.db2.gz ZCKDZTRRFPURKS-SDFYHXNISA-N 2 1 297.399 -0.674 20 0 CBADMP C[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872640 815847118 /nfs/dbraw/zinc/84/71/18/815847118.db2.gz ZCKDZTRRFPURKS-OYNVLQORSA-N 2 1 297.399 -0.674 20 0 CBADMP CN(C)c1nc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc[nH+]1 ZINC001163234717 815866059 /nfs/dbraw/zinc/86/60/59/815866059.db2.gz BLVLTLJPPJDMPL-PRHODGIISA-N 2 1 262.317 -0.467 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])Nc1cc(N)[nH+]cn1 ZINC001163445438 815885319 /nfs/dbraw/zinc/88/53/19/815885319.db2.gz RPCAGQOXJSCARK-QMMMGPOBSA-N 2 1 252.322 -0.286 20 0 CBADMP CN1CCN(c2nc(N3CCC([NH3+])CC3)cc[nH+]2)CC1=O ZINC001163631994 815891857 /nfs/dbraw/zinc/89/18/57/815891857.db2.gz HECYYGSOIULITJ-UHFFFAOYSA-N 2 1 290.371 -0.318 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001292584183 816469642 /nfs/dbraw/zinc/46/96/42/816469642.db2.gz LFDZVUJQSVFRGY-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001292584183 816469645 /nfs/dbraw/zinc/46/96/45/816469645.db2.gz LFDZVUJQSVFRGY-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001292584183 816469648 /nfs/dbraw/zinc/46/96/48/816469648.db2.gz LFDZVUJQSVFRGY-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP Cc1nc[nH]c1CC(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001292586048 816469770 /nfs/dbraw/zinc/46/97/70/816469770.db2.gz IMWBSBDEQYVASK-GFCCVEGCSA-N 2 1 293.371 -0.413 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCNC(=O)CC[NH+](C)C)C1 ZINC001293078874 816502005 /nfs/dbraw/zinc/50/20/05/816502005.db2.gz DNHCZMHMMVCKOT-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP C[C@H](CC[NH+](C)C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001296072502 816599625 /nfs/dbraw/zinc/59/96/25/816599625.db2.gz JRVXNYBJZKEEKC-YPMHNXCESA-N 2 1 257.378 -0.243 20 0 CBADMP C[NH+](C)CCC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001298412547 816681909 /nfs/dbraw/zinc/68/19/09/816681909.db2.gz HHWQBPVUOBOIKL-MUBLQREKSA-N 2 1 296.415 -0.322 20 0 CBADMP C[C@@H](CC[NH+](C)C)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001300147630 816738305 /nfs/dbraw/zinc/73/83/05/816738305.db2.gz HDOGWRQHDISORA-RWMBFGLXSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](Nc1nc(N)[nH+]c(N)n1)[C@H]1C[N@@H+](C)CCN1C ZINC001307214918 816799692 /nfs/dbraw/zinc/79/96/92/816799692.db2.gz YLMVGNGESLLVHX-JGVFFNPUSA-N 2 1 266.353 -0.918 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001316825811 816884367 /nfs/dbraw/zinc/88/43/67/816884367.db2.gz VVPFMKNBAORQGY-CYBMUJFWSA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001316831019 816887387 /nfs/dbraw/zinc/88/73/87/816887387.db2.gz WASYENJVYMVGFK-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)[C@@H]2CCNC2=O)C1 ZINC001316851440 816893113 /nfs/dbraw/zinc/89/31/13/816893113.db2.gz WSEIBLQCLCJCEW-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCCC[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001316851440 816893118 /nfs/dbraw/zinc/89/31/18/816893118.db2.gz WSEIBLQCLCJCEW-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001316851440 816893122 /nfs/dbraw/zinc/89/31/22/816893122.db2.gz WSEIBLQCLCJCEW-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CCCNC(=O)C[NH+]1CCCC1)[C@@H]1CCCNC1=O ZINC001316865683 816895976 /nfs/dbraw/zinc/89/59/76/816895976.db2.gz PSYFXJWJHGEJFD-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[N@@H+](CCCNC(=O)CC[NH+](C)C)[C@@H]1CCNC1=O ZINC001316901334 816899956 /nfs/dbraw/zinc/89/99/56/816899956.db2.gz GSKRSZDNINVUML-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)CC(N)=O ZINC001316892554 816900361 /nfs/dbraw/zinc/90/03/61/816900361.db2.gz NSCSYKQXGOCGGR-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)[C@H](C)C(N)=O ZINC001316906415 816902933 /nfs/dbraw/zinc/90/29/33/816902933.db2.gz AUBRVJXOCQZWBQ-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCOCCO)C1 ZINC001316939782 816905119 /nfs/dbraw/zinc/90/51/19/816905119.db2.gz ARXSKVTWVQCJMO-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCOCCO)C1 ZINC001316939782 816905122 /nfs/dbraw/zinc/90/51/22/816905122.db2.gz ARXSKVTWVQCJMO-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC001316939782 816905126 /nfs/dbraw/zinc/90/51/26/816905126.db2.gz ARXSKVTWVQCJMO-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001317035302 816922562 /nfs/dbraw/zinc/92/25/62/816922562.db2.gz SSSIAXZBPPNJIP-VXGBXAGGSA-N 2 1 255.362 -0.585 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CCCO)C2CC2)C1 ZINC001317035200 816923145 /nfs/dbraw/zinc/92/31/45/816923145.db2.gz RCINENMNUWOTQH-KGLIPLIRSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CCCO)C2CC2)C1 ZINC001317035200 816923152 /nfs/dbraw/zinc/92/31/52/816923152.db2.gz RCINENMNUWOTQH-KGLIPLIRSA-N 2 1 299.415 -0.426 20 0 CBADMP COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317105850 816933047 /nfs/dbraw/zinc/93/30/47/816933047.db2.gz WKVBAICFYFMSSM-GRYCIOLGSA-N 2 1 255.362 -0.036 20 0 CBADMP COCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317125907 816935396 /nfs/dbraw/zinc/93/53/96/816935396.db2.gz FKGPSFSGBVNRMC-MCIONIFRSA-N 2 1 299.415 -0.162 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCO ZINC001317246669 816949796 /nfs/dbraw/zinc/94/97/96/816949796.db2.gz WYMJZVPIVIFUBY-NEPJUHHUSA-N 2 1 257.378 -0.053 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]CCOC)C1 ZINC001317286679 816959530 /nfs/dbraw/zinc/95/95/30/816959530.db2.gz PDXASZNUDKZMQA-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]CCOC)C1 ZINC001317286679 816959535 /nfs/dbraw/zinc/95/95/35/816959535.db2.gz PDXASZNUDKZMQA-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCOCCO)C2)CC[N@H+]1C ZINC001317299441 816961750 /nfs/dbraw/zinc/96/17/50/816961750.db2.gz DOAPMZGHBSXMQU-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001317461338 816987058 /nfs/dbraw/zinc/98/70/58/816987058.db2.gz LGOONFWSSIIXSH-ZJUUUORDSA-N 2 1 258.366 -0.752 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001317461338 816987066 /nfs/dbraw/zinc/98/70/66/816987066.db2.gz LGOONFWSSIIXSH-ZJUUUORDSA-N 2 1 258.366 -0.752 20 0 CBADMP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317588153 817024622 /nfs/dbraw/zinc/02/46/22/817024622.db2.gz CPIVVQILPFPACR-FRRDWIJNSA-N 2 1 287.404 -0.618 20 0 CBADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[NH2+]CC(N)=O ZINC001317588442 817024677 /nfs/dbraw/zinc/02/46/77/817024677.db2.gz HSCIFOPEOPJREO-NSHDSACASA-N 2 1 295.387 -0.070 20 0 CBADMP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001317598936 817026162 /nfs/dbraw/zinc/02/61/62/817026162.db2.gz MQGHKQQMRRKTDN-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001317627175 817032412 /nfs/dbraw/zinc/03/24/12/817032412.db2.gz PEBKFZMZPVRDBF-CYBMUJFWSA-N 2 1 296.419 -0.051 20 0 CBADMP CN(CC[NH2+]Cc1cn(C)nn1)C(=O)C1(C[NH+](C)C)CC1 ZINC001317623354 817033712 /nfs/dbraw/zinc/03/37/12/817033712.db2.gz LSDVEXWHDPCIHN-UHFFFAOYSA-N 2 1 294.403 -0.295 20 0 CBADMP C[N@@H+](CCO)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317862413 817052513 /nfs/dbraw/zinc/05/25/13/817052513.db2.gz WKRPFNGCRIBXCD-ZDUSSCGKSA-N 2 1 269.389 -0.145 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001318273568 817093457 /nfs/dbraw/zinc/09/34/57/817093457.db2.gz UVYPXRRBXHHESL-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+]1CCC(NC(=O)CN2CC[NH+](C)CC2)CC1 ZINC001318393956 817105867 /nfs/dbraw/zinc/10/58/67/817105867.db2.gz HUGUUOVUFIIJMV-UHFFFAOYSA-N 2 1 254.378 -0.556 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCCO)C1 ZINC001319589474 817222562 /nfs/dbraw/zinc/22/25/62/817222562.db2.gz JUCAEEFCTUVXGR-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCCO)C1 ZINC001319589474 817222569 /nfs/dbraw/zinc/22/25/69/817222569.db2.gz JUCAEEFCTUVXGR-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)C[C@H](C[NH2+]CCO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001319603102 817223984 /nfs/dbraw/zinc/22/39/84/817223984.db2.gz CISVBWBHXSXRCI-CHWSQXEVSA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)C[C@H](C[NH2+]CCO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001319603102 817223990 /nfs/dbraw/zinc/22/39/90/817223990.db2.gz CISVBWBHXSXRCI-CHWSQXEVSA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)C(N)=O ZINC001321057604 817436904 /nfs/dbraw/zinc/43/69/04/817436904.db2.gz QUDQUXKDJQFHSN-OEFFGFFESA-N 2 1 296.415 -0.005 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC/C=C\C[NH2+]CC(=O)N(C)C)C1 ZINC001321251100 817468858 /nfs/dbraw/zinc/46/88/58/817468858.db2.gz QPNFNXRKWQTELG-ZFDPJTLLSA-N 2 1 296.415 -0.322 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001321334689 817484398 /nfs/dbraw/zinc/48/43/98/817484398.db2.gz CJQGUWANEGQZOQ-QITAHTHBSA-N 2 1 296.415 -0.275 20 0 CBADMP [NH3+]CCN(CCO)c1nc(Cl)nc2c1C[NH2+]C2 ZINC001163828212 819854897 /nfs/dbraw/zinc/85/48/97/819854897.db2.gz SXUADBMMTUDMRQ-UHFFFAOYSA-N 2 1 257.725 -0.509 20 0 CBADMP [NH3+]CCN(CCO)c1cc[nH+]c(N2CCCC2)n1 ZINC001163829864 819855517 /nfs/dbraw/zinc/85/55/17/819855517.db2.gz GHSBMGXKGHAQTL-UHFFFAOYSA-N 2 1 251.334 -0.166 20 0 CBADMP COCC[N@@H+](C)Cc1ccnc(N(CC[NH3+])CCO)c1 ZINC001163831498 819856514 /nfs/dbraw/zinc/85/65/14/819856514.db2.gz CILHMWZOZDOVMP-UHFFFAOYSA-N 2 1 282.388 -0.083 20 0 CBADMP COCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163939695 819872103 /nfs/dbraw/zinc/87/21/03/819872103.db2.gz DSIUAVWXRJRNLZ-CYBMUJFWSA-N 2 1 299.415 -0.161 20 0 CBADMP COCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163939695 819872119 /nfs/dbraw/zinc/87/21/19/819872119.db2.gz DSIUAVWXRJRNLZ-CYBMUJFWSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+](CCCO)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517491 823763939 /nfs/dbraw/zinc/76/39/39/823763939.db2.gz SIZITOSMRASYPR-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP C[N@@H+](CCCO)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517491 823763941 /nfs/dbraw/zinc/76/39/41/823763941.db2.gz SIZITOSMRASYPR-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCCO)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189517491 823763948 /nfs/dbraw/zinc/76/39/48/823763948.db2.gz SIZITOSMRASYPR-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCCO)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189517491 823763950 /nfs/dbraw/zinc/76/39/50/823763950.db2.gz SIZITOSMRASYPR-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP Cc1[nH+]ccn1-c1cc(N(C)S(=O)(=O)CC[NH3+])ncn1 ZINC001164287036 819899927 /nfs/dbraw/zinc/89/99/27/819899927.db2.gz HSCZLYIWNDAIFP-UHFFFAOYSA-N 2 1 296.356 -0.305 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H](C)O)C1 ZINC001164538298 819922809 /nfs/dbraw/zinc/92/28/09/819922809.db2.gz CPCPQQGCMKGDHM-OLZOCXBDSA-N 2 1 287.404 -0.428 20 0 CBADMP [NH3+]C1CCN(c2cc[nH+]c(N3C[C@H](O)[C@@H](CO)C3)n2)CC1 ZINC001164546072 819926438 /nfs/dbraw/zinc/92/64/38/819926438.db2.gz YBEIVDDVQNMHIM-PWSUYJOCSA-N 2 1 293.371 -0.807 20 0 CBADMP C[NH+]1CCN(c2nccc(N3CCO[C@H](C[NH3+])C3)n2)CC1 ZINC001165120924 819940233 /nfs/dbraw/zinc/94/02/33/819940233.db2.gz WDAXOPCJPXJHNN-GFCCVEGCSA-N 2 1 292.387 -0.608 20 0 CBADMP Nc1cc(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)nc[nH+]1 ZINC001165312000 819954474 /nfs/dbraw/zinc/95/44/74/819954474.db2.gz ZOWPBFLYIGFWCP-UHFFFAOYSA-N 2 1 286.343 -0.251 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001165764367 819982725 /nfs/dbraw/zinc/98/27/25/819982725.db2.gz POLAKFNWEOWWNX-LBPRGKRZSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@H](O)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166626606 820009574 /nfs/dbraw/zinc/00/95/74/820009574.db2.gz HRTSWBGPILZDMA-NEPJUHHUSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001166626989 820009997 /nfs/dbraw/zinc/00/99/97/820009997.db2.gz NMBJXBYWAKESAD-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001166627453 820010063 /nfs/dbraw/zinc/01/00/63/820010063.db2.gz VYPKIRVKTWJZSG-CYBMUJFWSA-N 2 1 294.403 -0.142 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2cnn(C)n2)C1 ZINC001166667466 820012969 /nfs/dbraw/zinc/01/29/69/820012969.db2.gz BQPZBKDSRNRQJM-GFCCVEGCSA-N 2 1 294.403 -0.247 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001166678157 820014532 /nfs/dbraw/zinc/01/45/32/820014532.db2.gz UDOKFRAZZVTMCW-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2nncn2C)C1 ZINC001166668244 820014636 /nfs/dbraw/zinc/01/46/36/820014636.db2.gz WQXIHNJEDJBMSM-GFCCVEGCSA-N 2 1 294.403 -0.247 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001166678937 820015350 /nfs/dbraw/zinc/01/53/50/820015350.db2.gz ZLIFDQHHMYFQLQ-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166695066 820017304 /nfs/dbraw/zinc/01/73/04/820017304.db2.gz ZSTVLLVDXNGHQL-NEPJUHHUSA-N 2 1 257.378 -0.074 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001166678935 820017329 /nfs/dbraw/zinc/01/73/29/820017329.db2.gz ZLIFDQHHMYFQLQ-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001166708639 820017809 /nfs/dbraw/zinc/01/78/09/820017809.db2.gz VLMIJRITPMPCQC-AAEUAGOBSA-N 2 1 294.403 -0.391 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166707963 820017853 /nfs/dbraw/zinc/01/78/53/820017853.db2.gz KSQISNQKSQAYJU-QWHCGFSZSA-N 2 1 298.431 -0.195 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166708587 820017956 /nfs/dbraw/zinc/01/79/56/820017956.db2.gz UKPSFJFPOYUHJI-NEPJUHHUSA-N 2 1 284.404 -0.584 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001166707990 820018998 /nfs/dbraw/zinc/01/89/98/820018998.db2.gz LEOPFPLFISNYAR-QWHCGFSZSA-N 2 1 296.415 -0.488 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166708589 820019151 /nfs/dbraw/zinc/01/91/51/820019151.db2.gz UKPSFJFPOYUHJI-RYUDHWBXSA-N 2 1 284.404 -0.584 20 0 CBADMP NC(=O)[C@@H]1CN(c2cc(N3CCCC3)cc[nH+]2)CC[NH2+]1 ZINC001166724795 820025870 /nfs/dbraw/zinc/02/58/70/820025870.db2.gz GAUJGCMZQJQGPC-LBPRGKRZSA-N 2 1 275.356 -0.055 20 0 CBADMP O=C(NCCC[NH2+]CCO)c1cc(C[NH+]2CCCC2)on1 ZINC001166737097 820033947 /nfs/dbraw/zinc/03/39/47/820033947.db2.gz ZVXBJEPFQVWVLT-UHFFFAOYSA-N 2 1 296.371 -0.028 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001166744176 820034800 /nfs/dbraw/zinc/03/48/00/820034800.db2.gz LEJMHJJVTSXKIL-UHFFFAOYSA-N 2 1 286.420 -0.194 20 0 CBADMP [NH3+]C[C@H]1CN(c2nc(N3CCC([NH3+])CC3)cc[nH+]2)CCO1 ZINC001166940240 820049746 /nfs/dbraw/zinc/04/97/46/820049746.db2.gz GNICCPSJPZICGP-LBPRGKRZSA-N 3 1 292.387 -0.432 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167224266 820074581 /nfs/dbraw/zinc/07/45/81/820074581.db2.gz IOEPEACDZWLBTG-GFCCVEGCSA-N 2 1 296.415 -0.168 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001167358678 820085409 /nfs/dbraw/zinc/08/54/09/820085409.db2.gz ZYFMMWXGPOKTER-LLVKDONJSA-N 2 1 287.327 -0.659 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1cccnc1OC1C[NH2+]C1 ZINC001167362148 820086932 /nfs/dbraw/zinc/08/69/32/820086932.db2.gz OKUDNLKYHAUUSP-UHFFFAOYSA-N 2 1 272.312 -0.444 20 0 CBADMP O=C1CC[C@@H](Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)C(=O)N1 ZINC001167555653 820103643 /nfs/dbraw/zinc/10/36/43/820103643.db2.gz LVSLEMYDEMMJKC-SECBINFHSA-N 2 1 290.327 -0.897 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC(=O)NC)CC1 ZINC001167815619 820121488 /nfs/dbraw/zinc/12/14/88/820121488.db2.gz VWVMEQVQGYGBQQ-UHFFFAOYSA-N 2 1 298.431 -0.050 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168023149 820138656 /nfs/dbraw/zinc/13/86/56/820138656.db2.gz UTAOOQKJXILBQD-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCCC[NH2+]CCF ZINC001168416680 820162099 /nfs/dbraw/zinc/16/20/99/820162099.db2.gz BFEAJPYYRQBNOH-UHFFFAOYSA-N 2 1 261.341 -0.226 20 0 CBADMP c1nncn1CCNc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001168869760 820187039 /nfs/dbraw/zinc/18/70/39/820187039.db2.gz JMOUCTWJTLJDDV-UHFFFAOYSA-N 2 1 274.332 -0.410 20 0 CBADMP [NH3+]Cc1nnnn1-c1cc[nH+]c(N2CCOCC2)c1 ZINC001168919967 820190851 /nfs/dbraw/zinc/19/08/51/820190851.db2.gz FMEHPSOVJQSLIB-UHFFFAOYSA-N 2 1 261.289 -0.647 20 0 CBADMP COC(=O)[C@@H](C[NH3+])CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099722 820207186 /nfs/dbraw/zinc/20/71/86/820207186.db2.gz UHHRFPXBMUPYBV-FIQHERPVSA-N 2 1 255.362 -0.051 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(CC[NH3+])S(C)(=O)=O)C2 ZINC001169081630 820207341 /nfs/dbraw/zinc/20/73/41/820207341.db2.gz USKCQNSUCGPNCI-JGPRNRPPSA-N 2 1 261.391 -0.168 20 0 CBADMP C[NH+]1CCN(c2cc(NC[C@@H]3COCC[NH2+]3)ncn2)CC1 ZINC001170035157 820274008 /nfs/dbraw/zinc/27/40/08/820274008.db2.gz IUDMNOHZJVXOBH-GFCCVEGCSA-N 2 1 292.387 -0.371 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC(C)C ZINC001170211036 820280349 /nfs/dbraw/zinc/28/03/49/820280349.db2.gz HAEYMXPPJLJQJO-UHFFFAOYSA-N 2 1 286.420 -0.051 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001170212409 820280438 /nfs/dbraw/zinc/28/04/38/820280438.db2.gz XSZLZBDQFJIMLN-UHFFFAOYSA-N 2 1 284.404 -0.297 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ncnn1C ZINC001170211436 820280794 /nfs/dbraw/zinc/28/07/94/820280794.db2.gz KWDNDSGLQFPIGX-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CN(CC[NH3+])CCNc1nccnc1N1CC[NH+](C)CC1 ZINC001170498853 820295871 /nfs/dbraw/zinc/29/58/71/820295871.db2.gz OPWBVCFEFWQJFX-UHFFFAOYSA-N 2 1 293.419 -0.469 20 0 CBADMP COc1c(N[C@@H](N)CCC[NH3+])ncnc1C1C[NH2+]C1 ZINC001170900730 820335007 /nfs/dbraw/zinc/33/50/07/820335007.db2.gz XPWBYYVCNYFQLL-SECBINFHSA-N 2 1 266.349 -0.392 20 0 CBADMP CC(=O)N1CC(Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC001171075490 820347386 /nfs/dbraw/zinc/34/73/86/820347386.db2.gz WMLNFPHBPDCQJC-UHFFFAOYSA-N 2 1 276.344 -0.471 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001171217485 820350267 /nfs/dbraw/zinc/35/02/67/820350267.db2.gz NTPQYYAURWVYBB-NEPJUHHUSA-N 2 1 282.388 -0.687 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001171216890 820351433 /nfs/dbraw/zinc/35/14/33/820351433.db2.gz KKZCBVDHBAJJCN-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@H](O)C[NH3+])CC1=O ZINC001171679326 820368492 /nfs/dbraw/zinc/36/84/92/820368492.db2.gz KCYFEOLJADSDPP-RKDXNWHRSA-N 2 1 273.333 -0.568 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001171762435 820369381 /nfs/dbraw/zinc/36/93/81/820369381.db2.gz DQPPIQFYWPOBLT-UHFFFAOYSA-N 2 1 284.404 -0.297 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)NCC ZINC001171762441 820369482 /nfs/dbraw/zinc/36/94/82/820369482.db2.gz DVYSNBBHDZRVKO-UHFFFAOYSA-N 2 1 272.393 -0.440 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC ZINC001171725791 820370517 /nfs/dbraw/zinc/37/05/17/820370517.db2.gz QXBZUNKUEGWMML-UHFFFAOYSA-N 2 1 272.393 -0.440 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001171762795 820371085 /nfs/dbraw/zinc/37/10/85/820371085.db2.gz LHLNFIGAFLUUBJ-LLVKDONJSA-N 2 1 298.387 -0.771 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(CO)(CO)CO)C2 ZINC001172108148 820381129 /nfs/dbraw/zinc/38/11/29/820381129.db2.gz QHBIXHPHFJCHCO-ZSBIGDGJSA-N 2 1 258.362 -0.693 20 0 CBADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)NCC(N)=O ZINC001172111262 820382691 /nfs/dbraw/zinc/38/26/91/820382691.db2.gz PELDXUSOJDJDQA-FIQHERPVSA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)NCC(N)=O ZINC001172111262 820382700 /nfs/dbraw/zinc/38/27/00/820382700.db2.gz PELDXUSOJDJDQA-FIQHERPVSA-N 2 1 282.388 -0.419 20 0 CBADMP COCCCN1CCC([NH2+]CCN(C)CC[NH3+])CC1 ZINC001172247390 820393094 /nfs/dbraw/zinc/39/30/94/820393094.db2.gz ITCCGFGGMFANSY-UHFFFAOYSA-N 2 1 272.437 -0.033 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001173349932 820400822 /nfs/dbraw/zinc/40/08/22/820400822.db2.gz GHAXZHYTCDSVAC-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[NH+](CC)C1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001173110670 820401069 /nfs/dbraw/zinc/40/10/69/820401069.db2.gz RDQYFOQBCDDHFH-HGSUQPQSSA-N 2 1 296.463 -0.368 20 0 CBADMP CC[N@H+]1CC[C@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)C1 ZINC001173356294 820402778 /nfs/dbraw/zinc/40/27/78/820402778.db2.gz GHTYZIQASRGQKC-QWRGUYRKSA-N 2 1 251.334 -0.495 20 0 CBADMP CCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176071602 820437712 /nfs/dbraw/zinc/43/77/12/820437712.db2.gz GQSIGTKYCVLIOV-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1nnnn1C ZINC001176058607 820438340 /nfs/dbraw/zinc/43/83/40/820438340.db2.gz YYHVWDJDBIIIDU-GHMZBOCLSA-N 2 1 295.391 -0.681 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176072206 820438923 /nfs/dbraw/zinc/43/89/23/820438923.db2.gz MWELOCIFGSFKSM-LLVKDONJSA-N 2 1 270.377 -0.830 20 0 CBADMP CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176095484 820440698 /nfs/dbraw/zinc/44/06/98/820440698.db2.gz COKDKPHZMSZJMB-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCOC)C1 ZINC001176635353 820452940 /nfs/dbraw/zinc/45/29/40/820452940.db2.gz BTYUMCIWAKTXAA-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCOC)C1 ZINC001176635353 820452944 /nfs/dbraw/zinc/45/29/44/820452944.db2.gz BTYUMCIWAKTXAA-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001176971813 820484456 /nfs/dbraw/zinc/48/44/56/820484456.db2.gz ISYGRRIDFWGWDV-UHFFFAOYSA-N 2 1 282.392 -0.249 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001176972027 820484800 /nfs/dbraw/zinc/48/48/00/820484800.db2.gz LDXWVLZHWYEZOP-LLVKDONJSA-N 2 1 270.377 -0.689 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001176972224 820484850 /nfs/dbraw/zinc/48/48/50/820484850.db2.gz RMLUNFSTVUPJOH-UHFFFAOYSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC ZINC001176986250 820485217 /nfs/dbraw/zinc/48/52/17/820485217.db2.gz IVJNGCYUDCYTBO-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ncnn1C ZINC001176971834 820485358 /nfs/dbraw/zinc/48/53/58/820485358.db2.gz JGSKLFNOGJTZNT-UHFFFAOYSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001176986453 820486358 /nfs/dbraw/zinc/48/63/58/820486358.db2.gz OTWZNONLQJDHDP-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP COCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177087267 820493236 /nfs/dbraw/zinc/49/32/36/820493236.db2.gz DFZKYSCECXXKEC-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177087267 820493241 /nfs/dbraw/zinc/49/32/41/820493241.db2.gz DFZKYSCECXXKEC-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001178045151 820558021 /nfs/dbraw/zinc/55/80/21/820558021.db2.gz DZVYOBVRWOGGAK-GFCCVEGCSA-N 2 1 284.404 -0.168 20 0 CBADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CCCC[N@H+]1C ZINC001178702737 820595807 /nfs/dbraw/zinc/59/58/07/820595807.db2.gz YGASAIJENFEVKP-LLVKDONJSA-N 2 1 271.361 -0.179 20 0 CBADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CCCC[N@H+]1C ZINC001178702739 820598056 /nfs/dbraw/zinc/59/80/56/820598056.db2.gz YGASAIJENFEVKP-NSHDSACASA-N 2 1 271.361 -0.179 20 0 CBADMP C[NH+]1CCN(CC(=O)N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001178951601 820608118 /nfs/dbraw/zinc/60/81/18/820608118.db2.gz BVFNJPUSHRHWCQ-UONOGXRCSA-N 2 1 280.416 -0.214 20 0 CBADMP C[NH+]1CCN(CC(=O)N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001178951601 820608129 /nfs/dbraw/zinc/60/81/29/820608129.db2.gz BVFNJPUSHRHWCQ-UONOGXRCSA-N 2 1 280.416 -0.214 20 0 CBADMP COCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001179720143 820638325 /nfs/dbraw/zinc/63/83/25/820638325.db2.gz ZXRIGJNMJWPRLO-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C ZINC001179852150 820643668 /nfs/dbraw/zinc/64/36/68/820643668.db2.gz AQCFIFAVAVDEKK-WOPDTQHZSA-N 2 1 284.404 -0.219 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001179987399 820646860 /nfs/dbraw/zinc/64/68/60/820646860.db2.gz UYAWHBDJSZNGAG-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C ZINC001179986884 820647576 /nfs/dbraw/zinc/64/75/76/820647576.db2.gz FPJMGNZYOBWLPL-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124378 820650063 /nfs/dbraw/zinc/65/00/63/820650063.db2.gz IKASLLFEXDBKJZ-CRWXNKLISA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001180612125 820700401 /nfs/dbraw/zinc/70/04/01/820700401.db2.gz MSZFCVGNJMIVJF-UHFFFAOYSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)C1 ZINC001180759781 820717923 /nfs/dbraw/zinc/71/79/23/820717923.db2.gz QTYQAVNSUIWRJK-KGLIPLIRSA-N 2 1 297.399 -0.360 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)C1 ZINC001180759781 820717933 /nfs/dbraw/zinc/71/79/33/820717933.db2.gz QTYQAVNSUIWRJK-KGLIPLIRSA-N 2 1 297.399 -0.360 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181651524 820808037 /nfs/dbraw/zinc/80/80/37/820808037.db2.gz CPDKYLDHJDPQFK-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181652623 820808677 /nfs/dbraw/zinc/80/86/77/820808677.db2.gz NNKPFPQMKASWRT-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP COCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181822839 820832770 /nfs/dbraw/zinc/83/27/70/820832770.db2.gz VCSKMFHTHDWCGU-NEPJUHHUSA-N 2 1 271.361 -0.846 20 0 CBADMP COCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181822839 820832780 /nfs/dbraw/zinc/83/27/80/820832780.db2.gz VCSKMFHTHDWCGU-NEPJUHHUSA-N 2 1 271.361 -0.846 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183289056 820989763 /nfs/dbraw/zinc/98/97/63/820989763.db2.gz QVOHANMLBUHKFH-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001183647050 821011661 /nfs/dbraw/zinc/01/16/61/821011661.db2.gz BVBCKSRXKLGERM-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001183647709 821012845 /nfs/dbraw/zinc/01/28/45/821012845.db2.gz IQDLCURUSQISKD-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183752360 821032156 /nfs/dbraw/zinc/03/21/56/821032156.db2.gz HFSSXQLQLMGOGD-AWEZNQCLSA-N 2 1 277.368 -0.041 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183752360 821032164 /nfs/dbraw/zinc/03/21/64/821032164.db2.gz HFSSXQLQLMGOGD-AWEZNQCLSA-N 2 1 277.368 -0.041 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001183760410 821032372 /nfs/dbraw/zinc/03/23/72/821032372.db2.gz YMVZPLFOVURLQK-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)N(C)C ZINC001184868399 821091477 /nfs/dbraw/zinc/09/14/77/821091477.db2.gz RPCFZCYUZVLNAX-JHJVBQTASA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001185137038 821100107 /nfs/dbraw/zinc/10/01/07/821100107.db2.gz PSARAPPOQSSDAV-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001185137038 821100114 /nfs/dbraw/zinc/10/01/14/821100114.db2.gz PSARAPPOQSSDAV-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+](CC)CCNC(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001185246100 821110028 /nfs/dbraw/zinc/11/00/28/821110028.db2.gz ZLMPHHPLRYIMAO-GFCCVEGCSA-N 2 1 256.394 -0.310 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC001185255755 821112761 /nfs/dbraw/zinc/11/27/61/821112761.db2.gz AZYGQJIBGOWLST-XQQFMLRXSA-N 2 1 266.389 -0.748 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001185255755 821112767 /nfs/dbraw/zinc/11/27/67/821112767.db2.gz AZYGQJIBGOWLST-XQQFMLRXSA-N 2 1 266.389 -0.748 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001185255755 821112773 /nfs/dbraw/zinc/11/27/73/821112773.db2.gz AZYGQJIBGOWLST-XQQFMLRXSA-N 2 1 266.389 -0.748 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001185264846 821119086 /nfs/dbraw/zinc/11/90/86/821119086.db2.gz ZUPMPMCDMJCICA-LBPRGKRZSA-N 2 1 265.361 -0.446 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001185264846 821119090 /nfs/dbraw/zinc/11/90/90/821119090.db2.gz ZUPMPMCDMJCICA-LBPRGKRZSA-N 2 1 265.361 -0.446 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185546817 821135264 /nfs/dbraw/zinc/13/52/64/821135264.db2.gz DNJHDUSQFYOHRA-OLZOCXBDSA-N 2 1 298.431 -0.112 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650687 821137035 /nfs/dbraw/zinc/13/70/35/821137035.db2.gz LOODLDKBUVDPPC-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001185676308 821138192 /nfs/dbraw/zinc/13/81/92/821138192.db2.gz UBUOKUHWWJLBRO-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185763291 821139815 /nfs/dbraw/zinc/13/98/15/821139815.db2.gz RYEWTHSHBCWINI-CHWSQXEVSA-N 2 1 298.431 -0.114 20 0 CBADMP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186038454 821154665 /nfs/dbraw/zinc/15/46/65/821154665.db2.gz QUOWFNMSBARLMN-WDEREUQCSA-N 2 1 291.355 -0.506 20 0 CBADMP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186038454 821154669 /nfs/dbraw/zinc/15/46/69/821154669.db2.gz QUOWFNMSBARLMN-WDEREUQCSA-N 2 1 291.355 -0.506 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@H](O)C2)C1 ZINC001186044396 821155512 /nfs/dbraw/zinc/15/55/12/821155512.db2.gz GOWADYKMKKTBEW-STQMWFEESA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)C1 ZINC001186044396 821155516 /nfs/dbraw/zinc/15/55/16/821155516.db2.gz GOWADYKMKKTBEW-STQMWFEESA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)C1 ZINC001186044396 821155522 /nfs/dbraw/zinc/15/55/22/821155522.db2.gz GOWADYKMKKTBEW-STQMWFEESA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1[C@H]2CC[N@H+]1C[C@@H](NC(=O)CN1CC[C@@H](O)C1)C2 ZINC001186055053 821162096 /nfs/dbraw/zinc/16/20/96/821162096.db2.gz KBISLFPDVYADBG-MROQNXINSA-N 2 1 267.373 -0.348 20 0 CBADMP C[C@@H]1[C@H]2CC[N@@H+]1C[C@@H](NC(=O)C[NH+]1CC[C@@H](O)C1)C2 ZINC001186055053 821162101 /nfs/dbraw/zinc/16/21/01/821162101.db2.gz KBISLFPDVYADBG-MROQNXINSA-N 2 1 267.373 -0.348 20 0 CBADMP C[C@@H]1[C@H]2CC[N@H+]1C[C@@H](NC(=O)C[NH+]1CC[C@@H](O)C1)C2 ZINC001186055053 821162106 /nfs/dbraw/zinc/16/21/06/821162106.db2.gz KBISLFPDVYADBG-MROQNXINSA-N 2 1 267.373 -0.348 20 0 CBADMP C[C@@H]1[C@H]2CC[NH+]1C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001186055053 821162112 /nfs/dbraw/zinc/16/21/12/821162112.db2.gz KBISLFPDVYADBG-MROQNXINSA-N 2 1 267.373 -0.348 20 0 CBADMP C[C@@H]1[C@H]2CC[NH+]1C[C@@H](NC(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001186055053 821162119 /nfs/dbraw/zinc/16/21/19/821162119.db2.gz KBISLFPDVYADBG-MROQNXINSA-N 2 1 267.373 -0.348 20 0 CBADMP C[NH+](C)CC(C)(C)CNC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186055140 821164011 /nfs/dbraw/zinc/16/40/11/821164011.db2.gz LFBXKVRQRVVMCI-NSHDSACASA-N 2 1 257.378 -0.243 20 0 CBADMP C[NH+](C)CC(C)(C)CNC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186055140 821164017 /nfs/dbraw/zinc/16/40/17/821164017.db2.gz LFBXKVRQRVVMCI-NSHDSACASA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186056545 821165760 /nfs/dbraw/zinc/16/57/60/821165760.db2.gz FSCZICVMZICDCN-NSHDSACASA-N 3 1 285.392 -0.883 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186056545 821165765 /nfs/dbraw/zinc/16/57/65/821165765.db2.gz FSCZICVMZICDCN-NSHDSACASA-N 3 1 285.392 -0.883 20 0 CBADMP C[N@@H+]1CCC[C@H]1CCNC(=O)C[NH+]1CC[C@H](O)C1 ZINC001186055899 821166010 /nfs/dbraw/zinc/16/60/10/821166010.db2.gz VVHWGMVTUOAXKE-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)C[NH+]1CC[C@H](O)C1 ZINC001186055899 821166013 /nfs/dbraw/zinc/16/60/13/821166013.db2.gz VVHWGMVTUOAXKE-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1CCNC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186055899 821166014 /nfs/dbraw/zinc/16/60/14/821166014.db2.gz VVHWGMVTUOAXKE-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1CCNC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186055899 821166016 /nfs/dbraw/zinc/16/60/16/821166016.db2.gz VVHWGMVTUOAXKE-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC001186117065 821171919 /nfs/dbraw/zinc/17/19/19/821171919.db2.gz UHUAAKPADIEDEN-RYUDHWBXSA-N 2 1 283.372 -0.451 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC001186117065 821171924 /nfs/dbraw/zinc/17/19/24/821171924.db2.gz UHUAAKPADIEDEN-RYUDHWBXSA-N 2 1 283.372 -0.451 20 0 CBADMP COC(=O)[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC001186117065 821171929 /nfs/dbraw/zinc/17/19/29/821171929.db2.gz UHUAAKPADIEDEN-RYUDHWBXSA-N 2 1 283.372 -0.451 20 0 CBADMP COC(=O)[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC001186117065 821171932 /nfs/dbraw/zinc/17/19/32/821171932.db2.gz UHUAAKPADIEDEN-RYUDHWBXSA-N 2 1 283.372 -0.451 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001186824785 821199336 /nfs/dbraw/zinc/19/93/36/821199336.db2.gz LMYJVLWHUWCEMF-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001186833173 821201567 /nfs/dbraw/zinc/20/15/67/821201567.db2.gz AIIARFTXFLBMNJ-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001186834477 821202139 /nfs/dbraw/zinc/20/21/39/821202139.db2.gz PCYDQMZFJXAYEM-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001280294883 828347393 /nfs/dbraw/zinc/34/73/93/828347393.db2.gz GLUWFOLZERDXHO-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP COCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001280666394 828370596 /nfs/dbraw/zinc/37/05/96/828370596.db2.gz FWTDLBHZWYVWPL-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001187323018 822267894 /nfs/dbraw/zinc/26/78/94/822267894.db2.gz UBCCBMUEGPVZGZ-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187819004 822297452 /nfs/dbraw/zinc/29/74/52/822297452.db2.gz XJVPACHRRLLBHT-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP COCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187825704 822298748 /nfs/dbraw/zinc/29/87/48/822298748.db2.gz RTNAUVMLLHLEFX-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCCOC)C2)C1 ZINC001187981930 822312268 /nfs/dbraw/zinc/31/22/68/822312268.db2.gz DOGPWZWIVBBOKU-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCCOC)C2)C1 ZINC001187981930 822312278 /nfs/dbraw/zinc/31/22/78/822312278.db2.gz DOGPWZWIVBBOKU-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001281702331 828423424 /nfs/dbraw/zinc/42/34/24/828423424.db2.gz DTBQHXYGJOXZNE-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP COCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001281702331 828423425 /nfs/dbraw/zinc/42/34/25/828423425.db2.gz DTBQHXYGJOXZNE-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)CCOCCO ZINC001282363712 828442000 /nfs/dbraw/zinc/44/20/00/828442000.db2.gz DPBWXRLKPRHBCC-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)CCOCCO ZINC001282363712 828442009 /nfs/dbraw/zinc/44/20/09/828442009.db2.gz DPBWXRLKPRHBCC-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)CCOCCO ZINC001282363712 828442011 /nfs/dbraw/zinc/44/20/11/828442011.db2.gz DPBWXRLKPRHBCC-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001282448425 828447669 /nfs/dbraw/zinc/44/76/69/828447669.db2.gz BCPCNTBELONGFZ-JTQLQIEISA-N 2 1 258.366 -0.879 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001282448425 828447672 /nfs/dbraw/zinc/44/76/72/828447672.db2.gz BCPCNTBELONGFZ-JTQLQIEISA-N 2 1 258.366 -0.879 20 0 CBADMP CC[N@H+](C)CCC(=O)NCCNC(=O)Cn1cc[nH+]c1C ZINC001283027267 828490374 /nfs/dbraw/zinc/49/03/74/828490374.db2.gz NLYXYICFFYCQKA-UHFFFAOYSA-N 2 1 295.387 -0.234 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCNC(=O)Cn1cc[nH+]c1C ZINC001283027267 828490376 /nfs/dbraw/zinc/49/03/76/828490376.db2.gz NLYXYICFFYCQKA-UHFFFAOYSA-N 2 1 295.387 -0.234 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCO)C2)C1 ZINC001283102468 828496787 /nfs/dbraw/zinc/49/67/87/828496787.db2.gz PWVSSTOLSNWQSI-SRVKXCTJSA-N 2 1 255.362 -0.585 20 0 CBADMP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001283189572 828505088 /nfs/dbraw/zinc/50/50/88/828505088.db2.gz AHJUFJBTYOCVPW-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[C@H](C(=O)NCCC[NH+]1CCN(C(C)=O)CC1)[NH+](C)C ZINC001283819834 828553827 /nfs/dbraw/zinc/55/38/27/828553827.db2.gz AOGDDLKLFOVNPM-CQSZACIVSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026920 823729393 /nfs/dbraw/zinc/72/93/93/823729393.db2.gz VZSHQKHSBLBSLQ-GRYCIOLGSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026920 823729398 /nfs/dbraw/zinc/72/93/98/823729398.db2.gz VZSHQKHSBLBSLQ-GRYCIOLGSA-N 2 1 282.388 -0.655 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC001188964164 823727483 /nfs/dbraw/zinc/72/74/83/823727483.db2.gz XLCRQLQMJQYIPW-NWDGAFQWSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC001188964164 823727485 /nfs/dbraw/zinc/72/74/85/823727485.db2.gz XLCRQLQMJQYIPW-NWDGAFQWSA-N 2 1 294.399 -0.654 20 0 CBADMP CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189388129 823753889 /nfs/dbraw/zinc/75/38/89/823753889.db2.gz CCCRAMJIJJKMEL-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189388129 823753893 /nfs/dbraw/zinc/75/38/93/823753893.db2.gz CCCRAMJIJJKMEL-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189388129 823753895 /nfs/dbraw/zinc/75/38/95/823753895.db2.gz CCCRAMJIJJKMEL-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189388129 823753901 /nfs/dbraw/zinc/75/39/01/823753901.db2.gz CCCRAMJIJJKMEL-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP COCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189517246 823764369 /nfs/dbraw/zinc/76/43/69/823764369.db2.gz OTNCRIXYOKGMPD-QWHCGFSZSA-N 2 1 285.388 -0.504 20 0 CBADMP COCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189517246 823764364 /nfs/dbraw/zinc/76/43/64/823764364.db2.gz OTNCRIXYOKGMPD-QWHCGFSZSA-N 2 1 285.388 -0.504 20 0 CBADMP COCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517246 823764350 /nfs/dbraw/zinc/76/43/50/823764350.db2.gz OTNCRIXYOKGMPD-QWHCGFSZSA-N 2 1 285.388 -0.504 20 0 CBADMP COCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517246 823764357 /nfs/dbraw/zinc/76/43/57/823764357.db2.gz OTNCRIXYOKGMPD-QWHCGFSZSA-N 2 1 285.388 -0.504 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)CC1 ZINC001192016665 823938612 /nfs/dbraw/zinc/93/86/12/823938612.db2.gz IBHFXECWBKKXDV-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192006874 823939340 /nfs/dbraw/zinc/93/93/40/823939340.db2.gz KSBISMBVQADQJH-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192006874 823939347 /nfs/dbraw/zinc/93/93/47/823939347.db2.gz KSBISMBVQADQJH-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192161636 823952198 /nfs/dbraw/zinc/95/21/98/823952198.db2.gz JLSUILWDJZVUPD-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCCNC2=O)C1 ZINC001192161064 823953438 /nfs/dbraw/zinc/95/34/38/823953438.db2.gz GYFSIQUYONUJHM-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192141538 823954306 /nfs/dbraw/zinc/95/43/06/823954306.db2.gz DEBUXNUCIAOZII-LLVKDONJSA-N 2 1 270.377 -0.783 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192141538 823954313 /nfs/dbraw/zinc/95/43/13/823954313.db2.gz DEBUXNUCIAOZII-LLVKDONJSA-N 2 1 270.377 -0.783 20 0 CBADMP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001284436783 828595340 /nfs/dbraw/zinc/59/53/40/828595340.db2.gz VBXLSUONRJIOTJ-NWDGAFQWSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001192958920 823993948 /nfs/dbraw/zinc/99/39/48/823993948.db2.gz HBXKJCIQYNKQAR-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001193102090 824003009 /nfs/dbraw/zinc/00/30/09/824003009.db2.gz CVQQXMLRPKFREA-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001284468889 828599825 /nfs/dbraw/zinc/59/98/25/828599825.db2.gz OZOOZMNIDHNNTP-QWHCGFSZSA-N 2 1 269.389 -0.243 20 0 CBADMP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001284470486 828599872 /nfs/dbraw/zinc/59/98/72/828599872.db2.gz VLZOAGZTWIWFHH-VXGBXAGGSA-N 2 1 257.378 -0.245 20 0 CBADMP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001284470483 828599904 /nfs/dbraw/zinc/59/99/04/828599904.db2.gz VLZOAGZTWIWFHH-NEPJUHHUSA-N 2 1 257.378 -0.245 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC001194285951 824067824 /nfs/dbraw/zinc/06/78/24/824067824.db2.gz VLDJSXNPKGESTM-NSHDSACASA-N 2 1 270.377 -0.655 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC001194285951 824067828 /nfs/dbraw/zinc/06/78/28/824067828.db2.gz VLDJSXNPKGESTM-NSHDSACASA-N 2 1 270.377 -0.655 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001194285951 824067832 /nfs/dbraw/zinc/06/78/32/824067832.db2.gz VLDJSXNPKGESTM-NSHDSACASA-N 2 1 270.377 -0.655 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001194285951 824067834 /nfs/dbraw/zinc/06/78/34/824067834.db2.gz VLDJSXNPKGESTM-NSHDSACASA-N 2 1 270.377 -0.655 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCO)C1 ZINC001194293306 824068956 /nfs/dbraw/zinc/06/89/56/824068956.db2.gz FVVSNEUEROHNEE-LBPRGKRZSA-N 2 1 257.378 -0.148 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC001194293306 824068958 /nfs/dbraw/zinc/06/89/58/824068958.db2.gz FVVSNEUEROHNEE-LBPRGKRZSA-N 2 1 257.378 -0.148 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001195707964 824129381 /nfs/dbraw/zinc/12/93/81/824129381.db2.gz BSUBFOAENMEGTR-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708197 824129489 /nfs/dbraw/zinc/12/94/89/824129489.db2.gz HRUYYUGHLRCKBZ-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001195869414 824135823 /nfs/dbraw/zinc/13/58/23/824135823.db2.gz CUHIAOKAMZRULM-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[N@@H+](CCCO)CC1 ZINC001197037738 824175992 /nfs/dbraw/zinc/17/59/92/824175992.db2.gz QVWLNFLUCNUTDR-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP CC[NH+](CC)CC(=O)N1CCC[N@@H+](CCO)CC1 ZINC001197512194 824194831 /nfs/dbraw/zinc/19/48/31/824194831.db2.gz XLOJFMJYYOQBKL-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197775894 824202463 /nfs/dbraw/zinc/20/24/63/824202463.db2.gz PLLRWOZFMDGIRP-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001197775894 824202471 /nfs/dbraw/zinc/20/24/71/824202471.db2.gz PLLRWOZFMDGIRP-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001197775894 824202479 /nfs/dbraw/zinc/20/24/79/824202479.db2.gz PLLRWOZFMDGIRP-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCOCC(=O)N1CCC[N@@H+](CCO)CC1 ZINC001197832001 824205003 /nfs/dbraw/zinc/20/50/03/824205003.db2.gz GQRDIWAKOACKEJ-UHFFFAOYSA-N 2 1 273.377 -0.909 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CCCN(CC(N)=O)CC1 ZINC001197907685 824208416 /nfs/dbraw/zinc/20/84/16/824208416.db2.gz HHBBERXQZSCOBV-UHFFFAOYSA-N 2 1 284.404 -0.262 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC)C[C@H]1O ZINC001198038270 824215729 /nfs/dbraw/zinc/21/57/29/824215729.db2.gz NISVXBMFDJIFKK-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC)C[C@H]1O ZINC001198038270 824215740 /nfs/dbraw/zinc/21/57/40/824215740.db2.gz NISVXBMFDJIFKK-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC)C[C@H]1O ZINC001198038270 824215747 /nfs/dbraw/zinc/21/57/47/824215747.db2.gz NISVXBMFDJIFKK-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+]1CCN(c2cnccc2C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001198158870 824219872 /nfs/dbraw/zinc/21/98/72/824219872.db2.gz MBXQRGKMHDVCGE-LBPRGKRZSA-N 2 1 289.383 -0.075 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199788752 824288413 /nfs/dbraw/zinc/28/84/13/824288413.db2.gz YZSSBQPCNQZIQV-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CO[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199942934 824297557 /nfs/dbraw/zinc/29/75/57/824297557.db2.gz BNHSTNZBFKGGON-GXTWGEPZSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199942934 824297560 /nfs/dbraw/zinc/29/75/60/824297560.db2.gz BNHSTNZBFKGGON-GXTWGEPZSA-N 2 1 299.415 -0.068 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCCO)C2)C1 ZINC001202058267 824341996 /nfs/dbraw/zinc/34/19/96/824341996.db2.gz JJBXIJWFHBNKCA-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP Cn1nnc(C[NH2+]C2CCN(C(=O)CC[NH+](C)C)CC2)n1 ZINC001202316240 824346661 /nfs/dbraw/zinc/34/66/61/824346661.db2.gz RZBADUYUCPCNQN-UHFFFAOYSA-N 2 1 295.391 -0.758 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CCCO)CC2)C1 ZINC001203699904 824362749 /nfs/dbraw/zinc/36/27/49/824362749.db2.gz WSWCOVIDXMOBML-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H](O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204876034 824372036 /nfs/dbraw/zinc/37/20/36/824372036.db2.gz KFWVMOJFSNCRJN-JSGCOSHPSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876034 824372043 /nfs/dbraw/zinc/37/20/43/824372043.db2.gz KFWVMOJFSNCRJN-JSGCOSHPSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204876036 824372520 /nfs/dbraw/zinc/37/25/20/824372520.db2.gz KFWVMOJFSNCRJN-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876036 824372524 /nfs/dbraw/zinc/37/25/24/824372524.db2.gz KFWVMOJFSNCRJN-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@@H+](CC[C@H]2C[NH2+]CCO2)CC1 ZINC001205209316 824375936 /nfs/dbraw/zinc/37/59/36/824375936.db2.gz IMQISOQGYMHJOS-QWHCGFSZSA-N 3 1 257.378 -0.459 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)CC1 ZINC001205241673 824376230 /nfs/dbraw/zinc/37/62/30/824376230.db2.gz UPBVZTNKSKYNJF-GFCCVEGCSA-N 2 1 268.317 -0.437 20 0 CBADMP Nc1ncc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cn1 ZINC001205220057 824376366 /nfs/dbraw/zinc/37/63/66/824376366.db2.gz JPMSPNBZOWTBJD-GFCCVEGCSA-N 2 1 251.334 -0.266 20 0 CBADMP COC(=O)c1cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)nn1C ZINC001205248389 824376895 /nfs/dbraw/zinc/37/68/95/824376895.db2.gz PAGFRHAOCGUNOO-AWEZNQCLSA-N 2 1 296.371 -0.118 20 0 CBADMP COC(=O)c1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)nn1C ZINC001205248389 824376899 /nfs/dbraw/zinc/37/68/99/824376899.db2.gz PAGFRHAOCGUNOO-AWEZNQCLSA-N 2 1 296.371 -0.118 20 0 CBADMP C[C@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946055 824389818 /nfs/dbraw/zinc/38/98/18/824389818.db2.gz HUFOBWRHLKVROA-LNFKQOIKSA-N 2 1 263.332 -0.129 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)nc2)C[C@H]1O ZINC001206490485 824400550 /nfs/dbraw/zinc/40/05/50/824400550.db2.gz DYORVBKWTAGFAS-UONOGXRCSA-N 3 1 291.399 -0.757 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)nc2)C[C@H]1O ZINC001206490485 824400552 /nfs/dbraw/zinc/40/05/52/824400552.db2.gz DYORVBKWTAGFAS-UONOGXRCSA-N 3 1 291.399 -0.757 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3n2CC[NH2+]C3)C[C@H]1O ZINC001206469696 824400838 /nfs/dbraw/zinc/40/08/38/824400838.db2.gz TVOHHEVNDFSCQE-GXFFZTMASA-N 3 1 250.346 -0.657 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3n2CC[NH2+]C3)C[C@H]1O ZINC001206469696 824400841 /nfs/dbraw/zinc/40/08/41/824400841.db2.gz TVOHHEVNDFSCQE-GXFFZTMASA-N 3 1 250.346 -0.657 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2N2CC[NH2+]CC2)C[C@@H]1O ZINC001206519551 824401329 /nfs/dbraw/zinc/40/13/29/824401329.db2.gz MWHATNKCYRYUCZ-HOCLYGCPSA-N 3 1 290.411 -0.152 20 0 CBADMP [NH3+]C[C@H]1CN(Cc2ccccc2N2CC[NH2+]CC2)C[C@@H]1O ZINC001206519551 824401334 /nfs/dbraw/zinc/40/13/34/824401334.db2.gz MWHATNKCYRYUCZ-HOCLYGCPSA-N 2 1 290.411 -0.152 20 0 CBADMP CS(=O)(=O)Nc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206530356 824401364 /nfs/dbraw/zinc/40/13/64/824401364.db2.gz GOFOATLDAONOHZ-AAEUAGOBSA-N 2 1 299.396 -0.191 20 0 CBADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206511809 824401808 /nfs/dbraw/zinc/40/18/08/824401808.db2.gz CCNQUQABKPVGPQ-YTWAJWBKSA-N 2 1 263.332 -0.271 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3n2CC[NH2+]C3)C[C@@H]1O ZINC001206520296 824401957 /nfs/dbraw/zinc/40/19/57/824401957.db2.gz TVOHHEVNDFSCQE-GWCFXTLKSA-N 3 1 250.346 -0.657 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3n2CC[NH2+]C3)C[C@@H]1O ZINC001206520296 824401960 /nfs/dbraw/zinc/40/19/60/824401960.db2.gz TVOHHEVNDFSCQE-GWCFXTLKSA-N 3 1 250.346 -0.657 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]CC(=O)NC)CC1 ZINC001206794104 824408662 /nfs/dbraw/zinc/40/86/62/824408662.db2.gz IYWONZYWFYPNRD-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP C[NH+]1CCC(C[N@H+]2CCN3C(=O)COC[C@H]3C2)CC1 ZINC001207399571 824426710 /nfs/dbraw/zinc/42/67/10/824426710.db2.gz MZCYBUNGAIZZAU-CYBMUJFWSA-N 2 1 267.373 -0.129 20 0 CBADMP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207441202 824427508 /nfs/dbraw/zinc/42/75/08/824427508.db2.gz WQXLERANERZQOD-LBPRGKRZSA-N 2 1 283.372 -0.260 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1C ZINC001207440660 824428073 /nfs/dbraw/zinc/42/80/73/824428073.db2.gz BGCIKCZEQWUYOA-LBPRGKRZSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543381 824429644 /nfs/dbraw/zinc/42/96/44/824429644.db2.gz MZYHKMIEUKBCDM-IJLUTSLNSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543381 824429646 /nfs/dbraw/zinc/42/96/46/824429646.db2.gz MZYHKMIEUKBCDM-IJLUTSLNSA-N 2 1 296.415 -0.219 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207538228 824430029 /nfs/dbraw/zinc/43/00/29/824430029.db2.gz MJRWOLRFFGRNGD-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207538228 824430033 /nfs/dbraw/zinc/43/00/33/824430033.db2.gz MJRWOLRFFGRNGD-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207684267 824433714 /nfs/dbraw/zinc/43/37/14/824433714.db2.gz LYZANHRNYADXIW-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C)[NH+](C)C ZINC001207697599 824435670 /nfs/dbraw/zinc/43/56/70/824435670.db2.gz GMVPUUISPFEKAJ-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C)[NH+](C)C ZINC001207697599 824435671 /nfs/dbraw/zinc/43/56/71/824435671.db2.gz GMVPUUISPFEKAJ-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCO)C2)C1 ZINC001207734050 824436649 /nfs/dbraw/zinc/43/66/49/824436649.db2.gz CFUPKLHBGKISQL-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCO)C2)C1 ZINC001207734050 824436650 /nfs/dbraw/zinc/43/66/50/824436650.db2.gz CFUPKLHBGKISQL-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+](C)CCN1CC[NH+](CCN2CCOCC2)CC1 ZINC001208127544 824447043 /nfs/dbraw/zinc/44/70/43/824447043.db2.gz ZYXUKDUPOFLXDW-UHFFFAOYSA-N 2 1 270.421 -0.502 20 0 CBADMP CN(C)CC[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001208128532 824447520 /nfs/dbraw/zinc/44/75/20/824447520.db2.gz JLURQBIPIGJVOG-UHFFFAOYSA-N 2 1 256.394 -0.356 20 0 CBADMP CN(C)CC[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001208128532 824447524 /nfs/dbraw/zinc/44/75/24/824447524.db2.gz JLURQBIPIGJVOG-UHFFFAOYSA-N 2 1 256.394 -0.356 20 0 CBADMP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208444490 824453714 /nfs/dbraw/zinc/45/37/14/824453714.db2.gz DBJHGOVVEYRTIP-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208444490 824453716 /nfs/dbraw/zinc/45/37/16/824453716.db2.gz DBJHGOVVEYRTIP-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C)[NH+](C)C ZINC001208691147 824456218 /nfs/dbraw/zinc/45/62/18/824456218.db2.gz GMVPUUISPFEKAJ-UTUOFQBUSA-N 2 1 284.404 -0.491 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C)[NH+](C)C ZINC001208691147 824456219 /nfs/dbraw/zinc/45/62/19/824456219.db2.gz GMVPUUISPFEKAJ-UTUOFQBUSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001209632145 824474346 /nfs/dbraw/zinc/47/43/46/824474346.db2.gz KGGYWLULCDOGAH-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001210521485 824480044 /nfs/dbraw/zinc/48/00/44/824480044.db2.gz FOEPYPNNWCOVGS-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001210521485 824480046 /nfs/dbraw/zinc/48/00/46/824480046.db2.gz FOEPYPNNWCOVGS-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001210521485 824480049 /nfs/dbraw/zinc/48/00/49/824480049.db2.gz FOEPYPNNWCOVGS-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001210521485 824480050 /nfs/dbraw/zinc/48/00/50/824480050.db2.gz FOEPYPNNWCOVGS-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210674446 824480791 /nfs/dbraw/zinc/48/07/91/824480791.db2.gz WHFJKNUTPNAJEN-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211089959 824483119 /nfs/dbraw/zinc/48/31/19/824483119.db2.gz DCCWKIUQZAPOHX-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348432 824511126 /nfs/dbraw/zinc/51/11/26/824511126.db2.gz MDIHTRHEQLBRTD-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1OC ZINC001213596955 824513573 /nfs/dbraw/zinc/51/35/73/824513573.db2.gz RQMSIBFYLNEEHG-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214344207 824529621 /nfs/dbraw/zinc/52/96/21/824529621.db2.gz OGHGZCJKDAMNFV-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388608 824530632 /nfs/dbraw/zinc/53/06/32/824530632.db2.gz DPSXLXCRHZNVEU-JHJVBQTASA-N 2 1 285.388 -0.600 20 0 CBADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388608 824530637 /nfs/dbraw/zinc/53/06/37/824530637.db2.gz DPSXLXCRHZNVEU-JHJVBQTASA-N 2 1 285.388 -0.600 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214861307 824536227 /nfs/dbraw/zinc/53/62/27/824536227.db2.gz PWZJLYBFDCTXFJ-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cnon1 ZINC001215461124 824541897 /nfs/dbraw/zinc/54/18/97/824541897.db2.gz SWPDTDHIQGHSCI-ZYHUDNBSSA-N 2 1 281.360 -0.042 20 0 CBADMP C[C@@H]1C[NH+](CCc2nnc(C[C@@H](O)C[NH3+])o2)C[C@@H](C)O1 ZINC001217695343 824558034 /nfs/dbraw/zinc/55/80/34/824558034.db2.gz RIKHPFNHMFOKTR-GMTAPVOTSA-N 2 1 284.360 -0.417 20 0 CBADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@@H]1CC[NH2+]C1 ZINC001218038970 824564673 /nfs/dbraw/zinc/56/46/73/824564673.db2.gz PDQGEEXWRJONKH-SSDOTTSWSA-N 2 1 296.327 -0.097 20 0 CBADMP CCOC(=O)c1cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])n[nH]1 ZINC001218510368 824576061 /nfs/dbraw/zinc/57/60/61/824576061.db2.gz KACXUZYMNHLOFM-QMMMGPOBSA-N 2 1 283.332 -0.019 20 0 CBADMP CCOC(=O)c1nc[nH]c1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218558517 824592232 /nfs/dbraw/zinc/59/22/32/824592232.db2.gz CDISCWDODLZTFZ-VIFPVBQESA-N 2 1 295.343 -0.148 20 0 CBADMP O=C(Nc1n[nH]c2nccnc12)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218569310 824594892 /nfs/dbraw/zinc/59/48/92/824594892.db2.gz YDQSJJCAZLQARN-AMIZOPFISA-N 2 1 287.327 -0.558 20 0 CBADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cn[nH]c1C(N)=O ZINC001218565677 824594918 /nfs/dbraw/zinc/59/49/18/824594918.db2.gz YHBBXVWWTLKZLV-ZETCQYMHSA-N 2 1 268.321 -0.836 20 0 CBADMP CSc1n[nH]c(NC(=O)[C@H]([NH3+])CCC[NH3+])c1C(N)=O ZINC001218639213 824611326 /nfs/dbraw/zinc/61/13/26/824611326.db2.gz ZPHYVXXOEDVJDO-RXMQYKEDSA-N 2 1 286.361 -0.765 20 0 CBADMP CC(=O)Nc1cc(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)ccn1 ZINC001218649721 824614288 /nfs/dbraw/zinc/61/42/88/824614288.db2.gz IAYFZGLITAQDEB-SCZZXKLOSA-N 2 1 263.301 -0.332 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218691567 824622141 /nfs/dbraw/zinc/62/21/41/824622141.db2.gz MADAIUYOVOSPCE-QMMMGPOBSA-N 2 1 252.274 -0.530 20 0 CBADMP Cc1nc2nc[nH]c2c(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001218699512 824623974 /nfs/dbraw/zinc/62/39/74/824623974.db2.gz KMPJCIVEYODISL-VIFPVBQESA-N 2 1 289.343 -0.073 20 0 CBADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)[C@@H]1C[NH2+]C[C@H]1O ZINC001218742220 824631876 /nfs/dbraw/zinc/63/18/76/824631876.db2.gz BESSTLAJTHZNSX-GHMZBOCLSA-N 2 1 273.296 -0.214 20 0 CBADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]21 ZINC001218814729 824641716 /nfs/dbraw/zinc/64/17/16/824641716.db2.gz WGGPEVJDGQALSW-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]21 ZINC001218814729 824641721 /nfs/dbraw/zinc/64/17/21/824641721.db2.gz WGGPEVJDGQALSW-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccc2[nH]nnc2c1 ZINC001218876002 824644345 /nfs/dbraw/zinc/64/43/45/824644345.db2.gz AYIVKEGBUFMUBZ-QMMMGPOBSA-N 2 1 280.357 -0.084 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCOC)C[C@@H]21 ZINC001219006773 824652653 /nfs/dbraw/zinc/65/26/53/824652653.db2.gz WRGPBASQBJYSRT-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCOC)C[C@@H]21 ZINC001219006773 824652657 /nfs/dbraw/zinc/65/26/57/824652657.db2.gz WRGPBASQBJYSRT-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCOC)C[C@@H]21 ZINC001219006773 824652661 /nfs/dbraw/zinc/65/26/61/824652661.db2.gz WRGPBASQBJYSRT-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCOC)C[C@@H]21 ZINC001219006773 824652665 /nfs/dbraw/zinc/65/26/65/824652665.db2.gz WRGPBASQBJYSRT-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219025715 824653127 /nfs/dbraw/zinc/65/31/27/824653127.db2.gz QZBBMSDRMUBKQP-LBPRGKRZSA-N 2 1 293.323 -0.003 20 0 CBADMP CC[NH+](CC)CCNC(=O)CC[C@H]([NH3+])C(=O)OC ZINC001219554273 824727300 /nfs/dbraw/zinc/72/73/00/824727300.db2.gz YZMWOWWWRTVXHL-JTQLQIEISA-N 2 1 259.350 -0.275 20 0 CBADMP Cc1ccnc(CNC(=O)C[NH2+]C2CC[NH2+]CC2)n1 ZINC001219600334 824741584 /nfs/dbraw/zinc/74/15/84/824741584.db2.gz PZJQNDYIDVXSJO-UHFFFAOYSA-N 2 1 263.345 -0.257 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219608091 824852950 /nfs/dbraw/zinc/85/29/50/824852950.db2.gz OOMGWLOMNBQYDF-WPRPVWTQSA-N 2 1 291.277 -0.310 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219609907 824854023 /nfs/dbraw/zinc/85/40/23/824854023.db2.gz HUKYUOULZHTUBI-LLVKDONJSA-N 3 1 294.321 -0.261 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC001219611196 824854092 /nfs/dbraw/zinc/85/40/92/824854092.db2.gz WZXDHNKKBUNVSU-BKPPORCPSA-N 2 1 266.267 -0.914 20 0 CBADMP [NH3+]CCCNCC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610088 824854967 /nfs/dbraw/zinc/85/49/67/824854967.db2.gz KVTUFURSRKEGLE-VIFPVBQESA-N 2 1 268.283 -0.665 20 0 CBADMP C[C@H]1C[NH2+]C[C@H](CNC(=O)CN2CC[NH+](C)CC2)C1 ZINC001219642864 824872112 /nfs/dbraw/zinc/87/21/12/824872112.db2.gz YOTJCLVYSOSQRL-CHWSQXEVSA-N 2 1 268.405 -0.404 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2[nH]nc3c2C[NH2+]C3)C1 ZINC001219661281 824874088 /nfs/dbraw/zinc/87/40/88/824874088.db2.gz AXKNWVCTZTZJCL-IUCAKERBSA-N 2 1 263.345 -0.012 20 0 CBADMP C[C@H]1C[NH2+]C[C@@H](CNC(=O)c2cc3n(n2)CC[NH2+]C3)C1 ZINC001219662024 824874932 /nfs/dbraw/zinc/87/49/32/824874932.db2.gz IRHAISLKSZQBPA-MNOVXSKESA-N 2 1 277.372 -0.038 20 0 CBADMP C[C@H]1C[NH2+]C[C@H](CNC(=O)c2nnn3c2C[NH2+]CC3)C1 ZINC001219663838 824875110 /nfs/dbraw/zinc/87/51/10/824875110.db2.gz RLJVIXRCOKGAOJ-NXEZZACHSA-N 2 1 278.360 -0.643 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2cc3n(n2)CC[NH2+]C3)C1 ZINC001219662025 824875371 /nfs/dbraw/zinc/87/53/71/824875371.db2.gz IRHAISLKSZQBPA-QWRGUYRKSA-N 2 1 277.372 -0.038 20 0 CBADMP Cn1cccc1CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219698777 824883638 /nfs/dbraw/zinc/88/36/38/824883638.db2.gz HEYTWTKXEYNDJT-UHFFFAOYSA-N 2 1 250.346 -0.017 20 0 CBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1O ZINC001219724393 824886825 /nfs/dbraw/zinc/88/68/25/824886825.db2.gz JPKAQWXXYAMAFE-TUAOUCFPSA-N 2 1 275.368 -0.153 20 0 CBADMP NC[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2COC[C@@H]2[NH3+])cc1 ZINC001219720873 824886954 /nfs/dbraw/zinc/88/69/54/824886954.db2.gz UHAZFMIUGGSYIT-SDDRHHMPSA-N 2 1 264.329 -0.899 20 0 CBADMP C[C@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)C1 ZINC001219764347 824889648 /nfs/dbraw/zinc/88/96/48/824889648.db2.gz DLVQPLQWJUVGEQ-CRWXNKLISA-N 2 1 280.416 -0.216 20 0 CBADMP C[C@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)C1 ZINC001219764347 824889657 /nfs/dbraw/zinc/88/96/57/824889657.db2.gz DLVQPLQWJUVGEQ-CRWXNKLISA-N 2 1 280.416 -0.216 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743302 824889667 /nfs/dbraw/zinc/88/96/67/824889667.db2.gz BMRQLNGFUOBDTC-QWRGUYRKSA-N 3 1 270.377 -0.920 20 0 CBADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001219765933 824891257 /nfs/dbraw/zinc/89/12/57/824891257.db2.gz ILZGFAXKFADVKE-YVECIDJPSA-N 2 1 284.379 -0.656 20 0 CBADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001219765933 824891263 /nfs/dbraw/zinc/89/12/63/824891263.db2.gz ILZGFAXKFADVKE-YVECIDJPSA-N 2 1 284.379 -0.656 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219767717 824891883 /nfs/dbraw/zinc/89/18/83/824891883.db2.gz CRNLDFCRTKPFNG-JQWIXIFHSA-N 2 1 269.324 -0.513 20 0 CBADMP [NH3+]CCCNCC(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777343 824893367 /nfs/dbraw/zinc/89/33/67/824893367.db2.gz HFFGAHBKSCNSDM-UHFFFAOYSA-N 2 1 254.378 -0.427 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)C1CC1 ZINC001219804175 824895391 /nfs/dbraw/zinc/89/53/91/824895391.db2.gz OODROBASSLDQDX-FRRDWIJNSA-N 2 1 287.379 -0.153 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219799981 824896258 /nfs/dbraw/zinc/89/62/58/824896258.db2.gz FMOFZCQTCUICQN-MNOVXSKESA-N 2 1 299.371 -0.848 20 0 CBADMP CO[C@@H](C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814119 824898103 /nfs/dbraw/zinc/89/81/03/824898103.db2.gz TVGLWPGXNZUSBV-YUTCNCBUSA-N 2 1 299.415 -0.333 20 0 CBADMP O=C(N[C@H]1CNCc2ccsc21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219823091 824898976 /nfs/dbraw/zinc/89/89/76/824898976.db2.gz KJSGHTSKRIMRHB-MNOVXSKESA-N 2 1 292.408 -0.182 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219845548 824901778 /nfs/dbraw/zinc/90/17/78/824901778.db2.gz MNKHOPYQMGRXTO-AGIUHOORSA-N 2 1 287.404 -0.620 20 0 CBADMP C[C@@H]([NH3+])c1ncc(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)s1 ZINC001219856352 824903337 /nfs/dbraw/zinc/90/33/37/824903337.db2.gz JKRHYLNELDBZPD-LURQLKTLSA-N 2 1 282.369 -0.121 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219870027 824905647 /nfs/dbraw/zinc/90/56/47/824905647.db2.gz XSKBEGJXTMTXFV-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP CN1C(=O)CCC12CCC(NC(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001219895488 824912163 /nfs/dbraw/zinc/91/21/63/824912163.db2.gz CYIVVDZXIFMMHN-CVZZAPKMSA-N 2 1 282.388 -0.288 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@@H]1O ZINC001219902900 824912249 /nfs/dbraw/zinc/91/22/49/824912249.db2.gz NUJBYSULFMIIQQ-UTUOFQBUSA-N 2 1 287.404 -0.741 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001219902900 824912256 /nfs/dbraw/zinc/91/22/56/824912256.db2.gz NUJBYSULFMIIQQ-UTUOFQBUSA-N 2 1 287.404 -0.741 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001219902900 824912263 /nfs/dbraw/zinc/91/22/63/824912263.db2.gz NUJBYSULFMIIQQ-UTUOFQBUSA-N 2 1 287.404 -0.741 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C1(N)CC[NH2+]CC1 ZINC001219934798 824917540 /nfs/dbraw/zinc/91/75/40/824917540.db2.gz NQEFSULDHMPGNP-UHFFFAOYSA-N 2 1 251.334 -0.611 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@]2(N)CC[NH2+]C2)C1 ZINC001219980520 824929265 /nfs/dbraw/zinc/92/92/65/824929265.db2.gz JYCPCJISJNKTKN-WCQYABFASA-N 2 1 254.378 -0.475 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001219978967 824929777 /nfs/dbraw/zinc/92/97/77/824929777.db2.gz WWSYWMRMYBHSCV-UMVBOHGHSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[C@@H]([NH3+])CN2)C1 ZINC001219980891 824929970 /nfs/dbraw/zinc/92/99/70/824929970.db2.gz QLQDLDPJCLQDIQ-TUAOUCFPSA-N 2 1 254.378 -0.476 20 0 CBADMP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)C1 ZINC001219980891 824929975 /nfs/dbraw/zinc/92/99/75/824929975.db2.gz QLQDLDPJCLQDIQ-TUAOUCFPSA-N 2 1 254.378 -0.476 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)C1 ZINC001219980891 824929976 /nfs/dbraw/zinc/92/99/76/824929976.db2.gz QLQDLDPJCLQDIQ-TUAOUCFPSA-N 3 1 254.378 -0.476 20 0 CBADMP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220020196 824935845 /nfs/dbraw/zinc/93/58/45/824935845.db2.gz AJRHGIGEQBXDNY-NSHDSACASA-N 2 1 290.371 -0.664 20 0 CBADMP N=c1cc(C[NH3+])ccn1C(=O)[C@@H](N)CSCC[NH3+] ZINC001220044960 824941717 /nfs/dbraw/zinc/94/17/17/824941717.db2.gz GCZRWZYRYJJIOL-VIFPVBQESA-N 2 1 269.374 -0.914 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220062228 824946548 /nfs/dbraw/zinc/94/65/48/824946548.db2.gz QUNQKTRADRBZBK-JHJVBQTASA-N 2 1 269.389 -0.053 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220071735 824951463 /nfs/dbraw/zinc/95/14/63/824951463.db2.gz OWDJAHIPKPWINV-UWVGGRQHSA-N 2 1 250.302 -0.689 20 0 CBADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]([NH3+])Cc1cccc(O)c1 ZINC001220103300 824954649 /nfs/dbraw/zinc/95/46/49/824954649.db2.gz NNENAVSSIWKXCO-GFCCVEGCSA-N 3 1 293.371 -0.277 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@@H](O)c1ccc(O)cc1 ZINC001220112894 824958158 /nfs/dbraw/zinc/95/81/58/824958158.db2.gz DEHOFBQZEWCVQJ-CQSZACIVSA-N 2 1 293.367 -0.117 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(O)cc1 ZINC001220113523 824958603 /nfs/dbraw/zinc/95/86/03/824958603.db2.gz WGTCBQKNCRHEOC-WDEREUQCSA-N 2 1 253.302 -0.782 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@H](O)c1ccc(O)cc1 ZINC001220112893 824959334 /nfs/dbraw/zinc/95/93/34/824959334.db2.gz DEHOFBQZEWCVQJ-AWEZNQCLSA-N 2 1 293.367 -0.117 20 0 CBADMP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001220156647 824973129 /nfs/dbraw/zinc/97/31/29/824973129.db2.gz FGTOPKSAHXRHKG-JQWIXIFHSA-N 2 1 265.361 -0.500 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163033 824974627 /nfs/dbraw/zinc/97/46/27/824974627.db2.gz OEUKAQCJROGMAW-GVXVVHGQSA-N 3 1 254.378 -0.299 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)[C@@H]([NH3+])Cc2cncn2C)C1 ZINC001220160287 824974911 /nfs/dbraw/zinc/97/49/11/824974911.db2.gz WWFSFZULFLVBSK-LBPRGKRZSA-N 2 1 265.361 -0.501 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220232442 824990651 /nfs/dbraw/zinc/99/06/51/824990651.db2.gz WLXQEZFOCVNOEB-OLZOCXBDSA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234166 824991309 /nfs/dbraw/zinc/99/13/09/824991309.db2.gz XJLQTWWPUWKANM-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)CC1 ZINC001220229314 824991506 /nfs/dbraw/zinc/99/15/06/824991506.db2.gz XPEUUPKYJMRIQC-NEPJUHHUSA-N 2 1 287.379 -0.151 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233981 824991580 /nfs/dbraw/zinc/99/15/80/824991580.db2.gz OLUUULXSUKEBPF-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220251699 824993743 /nfs/dbraw/zinc/99/37/43/824993743.db2.gz CAQFHDLCHPEVHC-QNWHQSFQSA-N 2 1 266.389 -0.463 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220252386 824996038 /nfs/dbraw/zinc/99/60/38/824996038.db2.gz YXJVSHBLVXBNLU-DDBGAENHSA-N 2 1 275.418 -0.317 20 0 CBADMP N[C@@H](CSCC[NH3+])C(=O)N(CC[NH3+])c1cccnc1 ZINC001220263719 824999136 /nfs/dbraw/zinc/99/91/36/824999136.db2.gz VFRVOHIGDALHRJ-NSHDSACASA-N 2 1 283.401 -0.608 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001220271756 825000537 /nfs/dbraw/zinc/00/05/37/825000537.db2.gz HCSOBURYUHBELC-KGLIPLIRSA-N 2 1 292.383 -0.305 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001220271756 825000542 /nfs/dbraw/zinc/00/05/42/825000542.db2.gz HCSOBURYUHBELC-KGLIPLIRSA-N 2 1 292.383 -0.305 20 0 CBADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277076 825002493 /nfs/dbraw/zinc/00/24/93/825002493.db2.gz PZMBTXXIBBRVKH-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP COCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276872 825003481 /nfs/dbraw/zinc/00/34/81/825003481.db2.gz LZVVZKFRQLSFAH-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001220306808 825010467 /nfs/dbraw/zinc/01/04/67/825010467.db2.gz OXWHHHNOERDTFC-CHWSQXEVSA-N 2 1 286.395 -0.312 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316895 825013229 /nfs/dbraw/zinc/01/32/29/825013229.db2.gz UMJBYDSKNMAEMN-SGMGOOAPSA-N 2 1 293.371 -0.693 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316889 825013577 /nfs/dbraw/zinc/01/35/77/825013577.db2.gz UMJBYDSKNMAEMN-BZPMIXESSA-N 2 1 293.371 -0.693 20 0 CBADMP O=C(NCc1c[nH]nn1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220329704 825016991 /nfs/dbraw/zinc/01/69/91/825016991.db2.gz XTXGLKXXHBKDIM-SNVBAGLBSA-N 2 1 264.333 -0.705 20 0 CBADMP C[C@@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)c1cnccn1 ZINC001220368791 825021025 /nfs/dbraw/zinc/02/10/25/825021025.db2.gz MNRCBCBYQKAJJD-SNVBAGLBSA-N 2 1 263.345 -0.005 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N1CCCc2ccc(C[NH3+])nc21 ZINC001220376833 825022497 /nfs/dbraw/zinc/02/24/97/825022497.db2.gz AKFMNELMWNBABK-LBPRGKRZSA-N 2 1 292.339 -0.290 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387760 825027176 /nfs/dbraw/zinc/02/71/76/825027176.db2.gz PWGXXKPXOOEKMR-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP O=C(NC1CC[NH+](CCF)CC1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220436263 825039079 /nfs/dbraw/zinc/03/90/79/825039079.db2.gz SSWVOYXJRCTQHZ-SMDDNHRTSA-N 2 1 284.379 -0.512 20 0 CBADMP O=C(NC1CC[NH+](CCF)CC1)[C@@H]1C[NH2+]C[C@H]1O ZINC001220436232 825039619 /nfs/dbraw/zinc/03/96/19/825039619.db2.gz SIXKQJFVZYHJAK-GHMZBOCLSA-N 2 1 259.325 -0.883 20 0 CBADMP O=C(NC1CC[NH+](CCF)CC1)[C@H]1C[NH2+]C[C@H]1O ZINC001220436237 825039809 /nfs/dbraw/zinc/03/98/09/825039809.db2.gz SIXKQJFVZYHJAK-WDEREUQCSA-N 2 1 259.325 -0.883 20 0 CBADMP CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553373 825060673 /nfs/dbraw/zinc/06/06/73/825060673.db2.gz GNLDSGNDGRLPRQ-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553373 825060682 /nfs/dbraw/zinc/06/06/82/825060682.db2.gz GNLDSGNDGRLPRQ-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220547894 825061946 /nfs/dbraw/zinc/06/19/46/825061946.db2.gz MHFXASJNZAWMLL-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220547894 825061956 /nfs/dbraw/zinc/06/19/56/825061956.db2.gz MHFXASJNZAWMLL-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP O=C(C[C@@H]1CCC[NH2+]C1)NCC[NH+]1CC2(COC2)C1 ZINC001220571494 825066167 /nfs/dbraw/zinc/06/61/67/825066167.db2.gz SHSIXPMCJBBWLI-LBPRGKRZSA-N 2 1 267.373 -0.176 20 0 CBADMP O=C(NCC[NH+]1CC2(COC2)C1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001220571148 825066667 /nfs/dbraw/zinc/06/66/67/825066667.db2.gz KFLKNFPNKUHUDM-GHMZBOCLSA-N 2 1 271.336 -0.618 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803085 825104170 /nfs/dbraw/zinc/10/41/70/825104170.db2.gz BOWFITPYZQREDD-FXQIFTODSA-N 3 1 268.283 -0.681 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@@H]1O ZINC001220583227 825070982 /nfs/dbraw/zinc/07/09/82/825070982.db2.gz SSPGBDHETLTRQZ-XQQFMLRXSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220585130 825071885 /nfs/dbraw/zinc/07/18/85/825071885.db2.gz YGAFIUOEPOHAEG-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC)C[C@@H]1O ZINC001220826118 825107220 /nfs/dbraw/zinc/10/72/20/825107220.db2.gz NISVXBMFDJIFKK-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1O ZINC001220826118 825107221 /nfs/dbraw/zinc/10/72/21/825107221.db2.gz NISVXBMFDJIFKK-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)OC)C[C@@H]1O ZINC001220688504 825087180 /nfs/dbraw/zinc/08/71/80/825087180.db2.gz JEOXTYNIYARLNF-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)OC)C[C@@H]1O ZINC001220688504 825087191 /nfs/dbraw/zinc/08/71/91/825087191.db2.gz JEOXTYNIYARLNF-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@@H]1O ZINC001220688504 825087197 /nfs/dbraw/zinc/08/71/97/825087197.db2.gz JEOXTYNIYARLNF-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP 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 825093884 /nfs/dbraw/zinc/09/38/84/825093884.db2.gz PHJNNXNBEAJUQF-UJPOAAIJSA-N 2 1 267.373 -0.159 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C1 ZINC001220806046 825104722 /nfs/dbraw/zinc/10/47/22/825104722.db2.gz XEXRLXJMJRDRRX-MAUMQABQSA-N 2 1 280.294 -0.668 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC)C[C@@H]1O ZINC001220826118 825107218 /nfs/dbraw/zinc/10/72/18/825107218.db2.gz NISVXBMFDJIFKK-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)(C)[C@H](C[NH3+])NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220857911 825113382 /nfs/dbraw/zinc/11/33/82/825113382.db2.gz XURSKXSFUWRLTD-NSHDSACASA-N 3 1 256.394 -0.182 20 0 CBADMP CC(C)[C@]1(C(=O)NCCN2CC[NH2+]CC2=O)CCC[NH2+]C1 ZINC001220874422 825118620 /nfs/dbraw/zinc/11/86/20/825118620.db2.gz JAGFDEVVNZKBFQ-HNNXBMFYSA-N 2 1 296.415 -0.440 20 0 CBADMP COC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])c1ccccn1 ZINC001220900448 825122230 /nfs/dbraw/zinc/12/22/30/825122230.db2.gz KKUVOZVEMSUMPW-GXSJLCMTSA-N 2 1 280.328 -0.522 20 0 CBADMP O=C(N[C@H]1CC[N@H+](Cc2cccnc2)C1)[C@@H]1C[NH2+]C[C@H]1O ZINC001220914818 825123958 /nfs/dbraw/zinc/12/39/58/825123958.db2.gz BMVZWOOJJMTZCJ-BFHYXJOUSA-N 2 1 290.367 -0.648 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](Cc2cccnc2)C1)[C@@H]1C[NH2+]C[C@H]1O ZINC001220914818 825123965 /nfs/dbraw/zinc/12/39/65/825123965.db2.gz BMVZWOOJJMTZCJ-BFHYXJOUSA-N 2 1 290.367 -0.648 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC1(Cc2ccccn2)CCOCC1 ZINC001220947146 825127144 /nfs/dbraw/zinc/12/71/44/825127144.db2.gz WSACWJZUXIWPEO-ZDUSSCGKSA-N 2 1 292.383 -0.034 20 0 CBADMP N=c1ncc(C[NH3+])cn1C(=O)[C@H]([NH3+])Cc1cccc(O)c1 ZINC001220951046 825128653 /nfs/dbraw/zinc/12/86/53/825128653.db2.gz OJLUGTMJPAELDV-GFCCVEGCSA-N 2 1 287.323 -0.263 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220980917 825132009 /nfs/dbraw/zinc/13/20/09/825132009.db2.gz BPYKMTKMPTWJPK-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986300 825132600 /nfs/dbraw/zinc/13/26/00/825132600.db2.gz ZKYZCJJPKFLPML-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP O=C(NCc1[nH+]cn2ccccc12)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001221007586 825134124 /nfs/dbraw/zinc/13/41/24/825134124.db2.gz ADDQMZFUESIMOL-IAQYHMDHSA-N 2 1 285.351 -0.098 20 0 CBADMP COC[C@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)C1CC1 ZINC001221013612 825137172 /nfs/dbraw/zinc/13/71/72/825137172.db2.gz USNREVFKEGEKDA-LBPRGKRZSA-N 2 1 255.362 -0.131 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCc1nncs1 ZINC001221012789 825137294 /nfs/dbraw/zinc/13/72/94/825137294.db2.gz BLMWEKNCJFBYFZ-UHFFFAOYSA-N 2 1 269.374 -0.462 20 0 CBADMP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1COCC[NH2+]1 ZINC001221123801 825144895 /nfs/dbraw/zinc/14/48/95/825144895.db2.gz KEXJOQBFQYBYHC-ZDUSSCGKSA-N 2 1 290.367 -0.235 20 0 CBADMP CC(C)(C)[NH+]1CC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001221193535 825152852 /nfs/dbraw/zinc/15/28/52/825152852.db2.gz BTDAKHZCQFUYCB-HZMBPMFUSA-N 2 1 266.389 -0.463 20 0 CBADMP Cn1cncc1C[C@H]([NH3+])C(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001221194499 825152988 /nfs/dbraw/zinc/15/29/88/825152988.db2.gz RMCQTYFNMHSYIQ-LBPRGKRZSA-N 2 1 279.388 -0.111 20 0 CBADMP CC(C)(C)[NH+]1CC(NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001221194229 825153434 /nfs/dbraw/zinc/15/34/34/825153434.db2.gz NPJJWLBRABLSDF-NSHDSACASA-N 2 1 282.388 -0.465 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)C2(N)CC[NH2+]CC2)C1 ZINC001221240845 825158535 /nfs/dbraw/zinc/15/85/35/825158535.db2.gz FPVUTXVIZSXDBL-GFCCVEGCSA-N 2 1 254.378 -0.332 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001221241122 825159207 /nfs/dbraw/zinc/15/92/07/825159207.db2.gz OMRCXGRKAHFPMY-CIQGVGRVSA-N 2 1 266.389 -0.463 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001221243510 825159894 /nfs/dbraw/zinc/15/98/94/825159894.db2.gz JUHSPHRUMHNWGI-OLZOCXBDSA-N 2 1 254.378 -0.332 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)C1 ZINC001221248478 825162481 /nfs/dbraw/zinc/16/24/81/825162481.db2.gz XXDJMHNWHZWOAA-MBNYWOFBSA-N 2 1 266.389 -0.286 20 0 CBADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001221359579 825176400 /nfs/dbraw/zinc/17/64/00/825176400.db2.gz XMOBXDFCHKFMEY-AVGNSLFASA-N 2 1 299.415 -0.570 20 0 CBADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)CNCC[NH3+] ZINC001221357812 825176771 /nfs/dbraw/zinc/17/67/71/825176771.db2.gz KGWQWZUEHSJYMU-LBPRGKRZSA-N 2 1 286.420 -0.602 20 0 CBADMP NC1=CC=C(C2CCN(C(=O)[C@@H]3C[C@H](N)C[NH2+]3)CC2)[NH2+]C1 ZINC001221391680 825180293 /nfs/dbraw/zinc/18/02/93/825180293.db2.gz FUGXRXXZYWZAQF-JSGCOSHPSA-N 2 1 291.399 -0.756 20 0 CBADMP CC(C)N(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)C(C)(C)C[NH3+] ZINC001221395667 825180812 /nfs/dbraw/zinc/18/08/12/825180812.db2.gz XHXAGSYLGUEOKZ-ZDUSSCGKSA-N 2 1 299.463 -0.289 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)[C@H](C)C1 ZINC001221407046 825184274 /nfs/dbraw/zinc/18/42/74/825184274.db2.gz KHAMJDQXTBAMMF-NDBYEHHHSA-N 2 1 269.389 -0.198 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2[NH2+]CC[C@H]2O)[C@H](C)C1 ZINC001221408458 825186252 /nfs/dbraw/zinc/18/62/52/825186252.db2.gz JMJWVYIMDYSTJI-LPWJVIDDSA-N 2 1 269.389 -0.056 20 0 CBADMP COC(=O)CCC[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222080825 825200010 /nfs/dbraw/zinc/20/00/10/825200010.db2.gz OTIMWOARFAXLFW-UHFFFAOYSA-N 2 1 255.362 -0.033 20 0 CBADMP c1c(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)nc2n1CCOC2 ZINC001222094829 825200602 /nfs/dbraw/zinc/20/06/02/825200602.db2.gz KYFKMRDTXBYTJN-UHFFFAOYSA-N 2 1 291.399 -0.059 20 0 CBADMP c1c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)nc2n1CCOC2 ZINC001222094829 825200615 /nfs/dbraw/zinc/20/06/15/825200615.db2.gz KYFKMRDTXBYTJN-UHFFFAOYSA-N 2 1 291.399 -0.059 20 0 CBADMP O=C1N=CNC(=O)C1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222502751 825212433 /nfs/dbraw/zinc/21/24/33/825212433.db2.gz RTHAPHIGCMZYBT-QWRGUYRKSA-N 2 1 279.344 -0.586 20 0 CBADMP C([C@H]1[C@@H]2C[NH2+]C[C@H]12)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491462 825212777 /nfs/dbraw/zinc/21/27/77/825212777.db2.gz BXZSPBCUGBIMPY-ZSLBOAEBSA-N 3 1 250.390 -0.522 20 0 CBADMP COCC[NH+]1CCC(OCC(=O)N2CC[NH+](C)CC2)CC1 ZINC001222543990 825216897 /nfs/dbraw/zinc/21/68/97/825216897.db2.gz XJSCGSQQZDSVRS-UHFFFAOYSA-N 2 1 299.415 -0.112 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001224537101 825242186 /nfs/dbraw/zinc/24/21/86/825242186.db2.gz PYKHNRFABZGOGC-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001225345666 825256728 /nfs/dbraw/zinc/25/67/28/825256728.db2.gz CHDUJEBRLKAAGV-JHJVBQTASA-N 2 1 296.415 -0.156 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001226555543 825280191 /nfs/dbraw/zinc/28/01/91/825280191.db2.gz XPLKVKQDPXUYSY-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001227807234 825308909 /nfs/dbraw/zinc/30/89/09/825308909.db2.gz OIIBKJAXKVSWEW-NSHDSACASA-N 2 1 296.415 -0.075 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228992662 825326403 /nfs/dbraw/zinc/32/64/03/825326403.db2.gz UHUMRAKJKLPRBX-UHFFFAOYSA-N 2 1 270.377 -0.735 20 0 CBADMP CC[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1)[NH+](C)C ZINC001229233339 825329506 /nfs/dbraw/zinc/32/95/06/825329506.db2.gz HOQUYCLLCUAJDH-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+](C)CCC(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001229896116 825338582 /nfs/dbraw/zinc/33/85/82/825338582.db2.gz URYZNXRPLNCJJS-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001229896116 825338591 /nfs/dbraw/zinc/33/85/91/825338591.db2.gz URYZNXRPLNCJJS-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+](C)CCC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001229896165 825338648 /nfs/dbraw/zinc/33/86/48/825338648.db2.gz WGIDYAROGOAANL-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001229896165 825338655 /nfs/dbraw/zinc/33/86/55/825338655.db2.gz WGIDYAROGOAANL-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+](C)CC(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001230105593 825342774 /nfs/dbraw/zinc/34/27/74/825342774.db2.gz WRCYDEYCLWEWEC-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001230105593 825342781 /nfs/dbraw/zinc/34/27/81/825342781.db2.gz WRCYDEYCLWEWEC-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001230374111 825345590 /nfs/dbraw/zinc/34/55/90/825345590.db2.gz JKXJTKKLNCDFOI-LLVKDONJSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001230374111 825345598 /nfs/dbraw/zinc/34/55/98/825345598.db2.gz JKXJTKKLNCDFOI-LLVKDONJSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001230374112 825345715 /nfs/dbraw/zinc/34/57/15/825345715.db2.gz JKXJTKKLNCDFOI-NSHDSACASA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001230374112 825345722 /nfs/dbraw/zinc/34/57/22/825345722.db2.gz JKXJTKKLNCDFOI-NSHDSACASA-N 2 1 284.404 -0.219 20 0 CBADMP CN(C[C@H]1CC[N@@H+]1CCOCCO)C(=O)[C@H]1CCC[NH+]1C ZINC001231217929 825398128 /nfs/dbraw/zinc/39/81/28/825398128.db2.gz SURFFJPHVNNMRH-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)[C@H]1CCC[NH+]1C ZINC001231217929 825398137 /nfs/dbraw/zinc/39/81/37/825398137.db2.gz SURFFJPHVNNMRH-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCOCCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001231217929 825398147 /nfs/dbraw/zinc/39/81/47/825398147.db2.gz SURFFJPHVNNMRH-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCOCCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001231217929 825398156 /nfs/dbraw/zinc/39/81/56/825398156.db2.gz SURFFJPHVNNMRH-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP COCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001231369397 825406182 /nfs/dbraw/zinc/40/61/82/825406182.db2.gz SIKDFCLELYXGQT-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231369397 825406187 /nfs/dbraw/zinc/40/61/87/825406187.db2.gz SIKDFCLELYXGQT-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231369397 825406193 /nfs/dbraw/zinc/40/61/93/825406193.db2.gz SIKDFCLELYXGQT-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001231369397 825406198 /nfs/dbraw/zinc/40/61/98/825406198.db2.gz SIKDFCLELYXGQT-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001231369388 825406450 /nfs/dbraw/zinc/40/64/50/825406450.db2.gz SIKDFCLELYXGQT-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231369388 825406455 /nfs/dbraw/zinc/40/64/55/825406455.db2.gz SIKDFCLELYXGQT-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231369388 825406459 /nfs/dbraw/zinc/40/64/59/825406459.db2.gz SIKDFCLELYXGQT-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001231369388 825406461 /nfs/dbraw/zinc/40/64/61/825406461.db2.gz SIKDFCLELYXGQT-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CC1(C[N@H+]2CCN3CCNC[C@H]3C2)CC[NH2+]CC1 ZINC001234976604 825478141 /nfs/dbraw/zinc/47/81/41/825478141.db2.gz VNOIXRSULAMYHO-ZDUSSCGKSA-N 2 1 252.406 -0.035 20 0 CBADMP CC1(CN2CCN3CC[NH2+]C[C@H]3C2)CC[NH2+]CC1 ZINC001234976604 825478146 /nfs/dbraw/zinc/47/81/46/825478146.db2.gz VNOIXRSULAMYHO-ZDUSSCGKSA-N 2 1 252.406 -0.035 20 0 CBADMP C[N@H+]1CCC[C@H](CN2CCNC[C@]23CC[NH2+]C3)C1 ZINC001234982551 825479910 /nfs/dbraw/zinc/47/99/10/825479910.db2.gz UUFVTJFXFGQOSE-UONOGXRCSA-N 2 1 252.406 -0.035 20 0 CBADMP C[N@@H+]1CCC[C@H](CN2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001234982551 825479915 /nfs/dbraw/zinc/47/99/15/825479915.db2.gz UUFVTJFXFGQOSE-UONOGXRCSA-N 3 1 252.406 -0.035 20 0 CBADMP C[N@H+]1CCC[C@H](CN2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001234982551 825479918 /nfs/dbraw/zinc/47/99/18/825479918.db2.gz UUFVTJFXFGQOSE-UONOGXRCSA-N 3 1 252.406 -0.035 20 0 CBADMP [NH3+]C12CC(CCN3CC[NH2+]C[C@@]34CC[NH2+]C4)(C1)C2 ZINC001234982960 825480139 /nfs/dbraw/zinc/48/01/39/825480139.db2.gz WXYJUSUIXDBFGB-RUXDESIVSA-N 3 1 250.390 -0.105 20 0 CBADMP CC1(C)[NH2+][C@@H](CCN2CC[NH2+]C[C@@]23CC[NH2+]C3)CO1 ZINC001234978927 825480343 /nfs/dbraw/zinc/48/03/43/825480343.db2.gz CFPIVSATTALLFY-JSGCOSHPSA-N 3 1 268.405 -0.262 20 0 CBADMP N[C@@H]1NC(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)=CS1 ZINC001234982022 825480447 /nfs/dbraw/zinc/48/04/47/825480447.db2.gz QXTWPZSIQCVPLG-MNOVXSKESA-N 2 1 255.391 -0.956 20 0 CBADMP OCCCC[N@@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001235198838 825489277 /nfs/dbraw/zinc/48/92/77/825489277.db2.gz UKLKNMGMYUPPRL-ZDUSSCGKSA-N 2 1 258.362 -0.160 20 0 CBADMP OCCCC[N@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001235198838 825489281 /nfs/dbraw/zinc/48/92/81/825489281.db2.gz UKLKNMGMYUPPRL-ZDUSSCGKSA-N 2 1 258.362 -0.160 20 0 CBADMP CN(C[C@@H]1CCN1CCO)C(=O)C[N@@H+](C)C1CCC1 ZINC001235390627 825493880 /nfs/dbraw/zinc/49/38/80/825493880.db2.gz ANWQHZIGLPHSTR-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)C[NH+](C)C1CCC1 ZINC001235390627 825493890 /nfs/dbraw/zinc/49/38/90/825493890.db2.gz ANWQHZIGLPHSTR-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001235390627 825493896 /nfs/dbraw/zinc/49/38/96/825493896.db2.gz ANWQHZIGLPHSTR-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCO)C(=O)C[N@@H+](C)C1CCC1 ZINC001235390627 825493899 /nfs/dbraw/zinc/49/38/99/825493899.db2.gz ANWQHZIGLPHSTR-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP CCOC(=O)[C@@]12C[N@@H+](CCO)C[C@@H]1CC[NH2+]CC2 ZINC001235348034 825494264 /nfs/dbraw/zinc/49/42/64/825494264.db2.gz CQXWFUVFNPIECZ-AAEUAGOBSA-N 2 1 256.346 -0.157 20 0 CBADMP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235356233 825494464 /nfs/dbraw/zinc/49/44/64/825494464.db2.gz VVZKHTIUONGEQL-CHWSQXEVSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235356233 825494470 /nfs/dbraw/zinc/49/44/70/825494470.db2.gz VVZKHTIUONGEQL-CHWSQXEVSA-N 2 1 269.389 -0.148 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C[C@H]2[C@H](C)C[NH2+]CC2(F)F)CCN1 ZINC001235447661 825495616 /nfs/dbraw/zinc/49/56/16/825495616.db2.gz ZNMASDMSIRFAOU-VWYCJHECSA-N 2 1 291.342 -0.076 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C[C@H]2[C@H](C)C[NH2+]CC2(F)F)CCN1 ZINC001235447661 825495620 /nfs/dbraw/zinc/49/56/20/825495620.db2.gz ZNMASDMSIRFAOU-VWYCJHECSA-N 2 1 291.342 -0.076 20 0 CBADMP CN(C)C(=O)CO[C@@H]1C[N@@H+](CCCC[NH3+])[C@@H]2COC[C@H]12 ZINC001235485605 825498461 /nfs/dbraw/zinc/49/84/61/825498461.db2.gz KXGRIXWQHPOLSE-YNEHKIRRSA-N 2 1 285.388 -0.471 20 0 CBADMP [NH3+]CCN1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001235516490 825499462 /nfs/dbraw/zinc/49/94/62/825499462.db2.gz JKZHEGWLQYFQFO-RYUDHWBXSA-N 2 1 263.345 -0.427 20 0 CBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C[C@@H](C)[NH3+])C2)C1 ZINC001235521895 825500866 /nfs/dbraw/zinc/50/08/66/825500866.db2.gz XFKVFRIVPHUTLE-HIFRSBDPSA-N 2 1 298.431 -0.506 20 0 CBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C[C@@H](C)[NH3+])C2)C1 ZINC001235521895 825500872 /nfs/dbraw/zinc/50/08/72/825500872.db2.gz XFKVFRIVPHUTLE-HIFRSBDPSA-N 2 1 298.431 -0.506 20 0 CBADMP [NH3+]CCN1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001235572769 825504202 /nfs/dbraw/zinc/50/42/02/825504202.db2.gz CXTFKCHYHUXRHF-UHFFFAOYSA-N 2 1 260.345 -0.055 20 0 CBADMP CC(C)NC(=O)[C@H]1COC[C@H]2C[N@H+](CC[NH3+])C[C@H]21 ZINC001235573756 825505419 /nfs/dbraw/zinc/50/54/19/825505419.db2.gz TVKFFTXIFZCWDU-UTUOFQBUSA-N 2 1 255.362 -0.336 20 0 CBADMP CC(C)NC(=O)[C@H]1COC[C@H]2C[N@@H+](CC[NH3+])C[C@H]21 ZINC001235573756 825505421 /nfs/dbraw/zinc/50/54/21/825505421.db2.gz TVKFFTXIFZCWDU-UTUOFQBUSA-N 2 1 255.362 -0.336 20 0 CBADMP CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2CCCC[NH3+] ZINC001235608584 825506019 /nfs/dbraw/zinc/50/60/19/825506019.db2.gz RKUCNEVYLFUXTK-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](CCCC[NH3+])C2 ZINC001235627253 825508859 /nfs/dbraw/zinc/50/88/59/825508859.db2.gz ZKYXKDMQWADDDJ-ZDUSSCGKSA-N 2 1 268.361 -0.852 20 0 CBADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235840783 825515352 /nfs/dbraw/zinc/51/53/52/825515352.db2.gz ACNKTSGUHOJKKD-WJTVCTBASA-N 2 1 286.372 -0.235 20 0 CBADMP C[N@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235840783 825515348 /nfs/dbraw/zinc/51/53/48/825515348.db2.gz ACNKTSGUHOJKKD-WJTVCTBASA-N 2 1 286.372 -0.235 20 0 CBADMP C(C[NH+]1CCNCC[NH2+]CCNCC1)C1CCOCC1 ZINC001235866146 825515418 /nfs/dbraw/zinc/51/54/18/825515418.db2.gz VTFGETGXZOVXMX-UHFFFAOYSA-N 2 1 284.448 -0.113 20 0 CBADMP Cc1[nH]c(CN2CC[NH2+]CCNCC[NH2+]CC2)c(C)[nH+]1 ZINC001235869562 825515983 /nfs/dbraw/zinc/51/59/83/825515983.db2.gz DZVODXQHHZCNOZ-UHFFFAOYSA-N 3 1 280.420 -0.389 20 0 CBADMP CC1(C[NH+]2CCNCC[NH2+]CCNCC2)CC[NH2+]CC1 ZINC001235870850 825517034 /nfs/dbraw/zinc/51/70/34/825517034.db2.gz PSIMMFCVTOOZJX-UHFFFAOYSA-N 3 1 283.464 -0.540 20 0 CBADMP COCOCCC[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235871929 825517150 /nfs/dbraw/zinc/51/71/50/825517150.db2.gz ZIOVGMJCSWQLJX-UHFFFAOYSA-N 2 1 274.409 -0.919 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](CCC3C[NH2+]C3)C[C@H]1C2 ZINC001236025658 825520108 /nfs/dbraw/zinc/52/01/08/825520108.db2.gz VNLLHGJZMWNNNJ-CTASWTNQSA-N 3 1 293.411 -0.074 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC001236195322 825522725 /nfs/dbraw/zinc/52/27/25/825522725.db2.gz HEXPIDZVCFKMBJ-UTUOFQBUSA-N 2 1 255.362 -0.097 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C[C@H]1CCC[N@@H+](C)C1 ZINC001236195312 825523531 /nfs/dbraw/zinc/52/35/31/825523531.db2.gz HEXPIDZVCFKMBJ-SRVKXCTJSA-N 2 1 255.362 -0.097 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1CC(C)(C)[NH+]1CCOCC1 ZINC001236197704 825524237 /nfs/dbraw/zinc/52/42/37/825524237.db2.gz SXQXASMVIRXODR-NEPJUHHUSA-N 2 1 285.388 -0.328 20 0 CBADMP C[N@@H+](CCO)Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001236255407 825525330 /nfs/dbraw/zinc/52/53/30/825525330.db2.gz DKNZBKIVPKVYHJ-UHFFFAOYSA-N 2 1 251.330 -0.201 20 0 CBADMP NCC[N@@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236387156 825532570 /nfs/dbraw/zinc/53/25/70/825532570.db2.gz VFILQDFJZAUZQS-UHFFFAOYSA-N 2 1 284.448 -0.031 20 0 CBADMP [NH3+]CCN(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236387156 825532577 /nfs/dbraw/zinc/53/25/77/825532577.db2.gz VFILQDFJZAUZQS-UHFFFAOYSA-N 2 1 284.448 -0.031 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(=O)n(C)c1=O ZINC001237405915 825534601 /nfs/dbraw/zinc/53/46/01/825534601.db2.gz SJBHSSGCEKAWBL-YPMHNXCESA-N 2 1 292.383 -0.342 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(=O)n(C)c1=O ZINC001237405915 825534609 /nfs/dbraw/zinc/53/46/09/825534609.db2.gz SJBHSSGCEKAWBL-YPMHNXCESA-N 2 1 292.383 -0.342 20 0 CBADMP [NH3+][C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCC1(F)F ZINC001238982402 825580635 /nfs/dbraw/zinc/58/06/35/825580635.db2.gz DVTAFTFQQHCSJC-SNVBAGLBSA-N 2 1 297.371 -0.016 20 0 CBADMP S=C(NCCC[NH+]1CCOCC1)N1C[C@@H]2C[NH2+]C[C@H]21 ZINC001239452224 825605154 /nfs/dbraw/zinc/60/51/54/825605154.db2.gz OCQNJYPERQKGDG-NWDGAFQWSA-N 2 1 284.429 -0.513 20 0 CBADMP CCOC[C@H](O)CNC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245985962 825618544 /nfs/dbraw/zinc/61/85/44/825618544.db2.gz NPJZMYPGZCNWEJ-CHWSQXEVSA-N 2 1 271.405 -0.152 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)COc2ccc(F)cc2)C[C@@H]1O ZINC001246020193 825622090 /nfs/dbraw/zinc/62/20/90/825622090.db2.gz IIRAIWWNTKXXCP-SUHUHFCYSA-N 2 1 284.331 -0.183 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C[C@@H]1O ZINC001246020193 825622091 /nfs/dbraw/zinc/62/20/91/825622091.db2.gz IIRAIWWNTKXXCP-SUHUHFCYSA-N 2 1 284.331 -0.183 20 0 CBADMP COc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246020223 825622726 /nfs/dbraw/zinc/62/27/26/825622726.db2.gz ILEMZAKCOOYNGW-RWMBFGLXSA-N 2 1 296.367 -0.314 20 0 CBADMP COc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246020223 825622732 /nfs/dbraw/zinc/62/27/32/825622732.db2.gz ILEMZAKCOOYNGW-RWMBFGLXSA-N 2 1 296.367 -0.314 20 0 CBADMP [NH3+][C@@H]1CC[N@H+](C[C@H](O)COCc2ccco2)C[C@H]1O ZINC001246018020 825622750 /nfs/dbraw/zinc/62/27/50/825622750.db2.gz CDGUCBBAIXNPHT-CYZMBNFOSA-N 2 1 270.329 -0.449 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+](C[C@H](O)COCc2ccco2)C[C@H]1O ZINC001246018020 825622755 /nfs/dbraw/zinc/62/27/55/825622755.db2.gz CDGUCBBAIXNPHT-CYZMBNFOSA-N 2 1 270.329 -0.449 20 0 CBADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001246020396 825622837 /nfs/dbraw/zinc/62/28/37/825622837.db2.gz LATMQRUFGLBVOZ-KGLIPLIRSA-N 2 1 289.395 -0.168 20 0 CBADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001246020398 825623270 /nfs/dbraw/zinc/62/32/70/825623270.db2.gz LATMQRUFGLBVOZ-ZIAGYGMSSA-N 2 1 289.395 -0.168 20 0 CBADMP CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246023155 825623572 /nfs/dbraw/zinc/62/35/72/825623572.db2.gz OQEDGBVJTHEFIU-BXUZGUMPSA-N 2 1 288.388 -0.135 20 0 CBADMP CC(C)(C)OC(=O)[C@H](O)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246023155 825623580 /nfs/dbraw/zinc/62/35/80/825623580.db2.gz OQEDGBVJTHEFIU-BXUZGUMPSA-N 2 1 288.388 -0.135 20 0 CBADMP CC[NH+](CC)C[C@@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246024690 825624160 /nfs/dbraw/zinc/62/41/60/825624160.db2.gz POJKIDZFVFXTOD-ILXRZTDVSA-N 3 1 284.448 -0.285 20 0 CBADMP CC[NH+](CC)C[C@@H](O)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246024403 825624438 /nfs/dbraw/zinc/62/44/38/825624438.db2.gz FQHYGNJPOWMKPJ-KGLIPLIRSA-N 3 1 270.421 -0.674 20 0 CBADMP O[C@]1(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CCC[NH2+]C1 ZINC001246021333 825624563 /nfs/dbraw/zinc/62/45/63/825624563.db2.gz GFTPAMSLKCHRBY-MELADBBJSA-N 3 1 268.405 -0.873 20 0 CBADMP CC(C)OC[C@H](O)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246027927 825625539 /nfs/dbraw/zinc/62/55/39/825625539.db2.gz YXQPSVPBMUQPTM-CHWSQXEVSA-N 2 1 260.378 -0.052 20 0 CBADMP COc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246025932 825625585 /nfs/dbraw/zinc/62/55/85/825625585.db2.gz YHRDPUHGMPQEAY-ZOWXZIJZSA-N 2 1 296.367 -0.314 20 0 CBADMP COc1ccc(OC[C@H](O)C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246025932 825625588 /nfs/dbraw/zinc/62/55/88/825625588.db2.gz YHRDPUHGMPQEAY-ZOWXZIJZSA-N 2 1 296.367 -0.314 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC[C@H]1F ZINC001246028259 825627724 /nfs/dbraw/zinc/62/77/24/825627724.db2.gz JFKXGOBXFMLTRT-JHJVBQTASA-N 3 1 289.395 -0.387 20 0 CBADMP N[C@@H]1CC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC[C@H]1F ZINC001246028259 825627725 /nfs/dbraw/zinc/62/77/25/825627725.db2.gz JFKXGOBXFMLTRT-JHJVBQTASA-N 2 1 289.395 -0.387 20 0 CBADMP N[C@@H]1CC[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC[C@H]1F ZINC001246028259 825627727 /nfs/dbraw/zinc/62/77/27/825627727.db2.gz JFKXGOBXFMLTRT-JHJVBQTASA-N 2 1 289.395 -0.387 20 0 CBADMP [NH3+][C@@H]1CCN(C[C@H](O)CC2(O)CC[NH2+]CC2)CC[C@H]1F ZINC001246028259 825627729 /nfs/dbraw/zinc/62/77/29/825627729.db2.gz JFKXGOBXFMLTRT-JHJVBQTASA-N 2 1 289.395 -0.387 20 0 CBADMP CCCOC[C@@H](O)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246032529 825627768 /nfs/dbraw/zinc/62/77/68/825627768.db2.gz YMHANYOEGJWBSA-QWHCGFSZSA-N 2 1 257.378 -0.589 20 0 CBADMP O[C@H](COCc1ccco1)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246028990 825627935 /nfs/dbraw/zinc/62/79/35/825627935.db2.gz OGEURKYZQJOVJR-DZGCQCFKSA-N 2 1 295.383 -0.206 20 0 CBADMP O[C@@H](CN1CC[NH2+]C[C@@]12CC[NH2+]C2)C(F)(F)F ZINC001246032643 825629202 /nfs/dbraw/zinc/62/92/02/825629202.db2.gz ZEMVFGCQLMIAJT-IUCAKERBSA-N 2 1 253.268 -0.453 20 0 CBADMP CCCOC[C@@H](O)C[NH+]1CCC([C@@H]([NH3+])C(=O)OC)CC1 ZINC001246047966 825629429 /nfs/dbraw/zinc/62/94/29/825629429.db2.gz GAVJGUZNJYWYAC-QWHCGFSZSA-N 2 1 288.388 -0.014 20 0 CBADMP 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 825629471 /nfs/dbraw/zinc/62/94/71/825629471.db2.gz VTKBFFHXLBEEIY-KDBYPZKRSA-N 2 1 298.383 -0.676 20 0 CBADMP CC(C)(C)[C@@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246055140 825630575 /nfs/dbraw/zinc/63/05/75/825630575.db2.gz KRLCGZBYQSMCOB-ZDUSSCGKSA-N 2 1 272.437 -0.522 20 0 CBADMP O[C@H](C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1)CC1(O)CC[NH2+]CC1 ZINC001246062168 825631166 /nfs/dbraw/zinc/63/11/66/825631166.db2.gz XSWOTQQIECRSTK-SOUVJXGZSA-N 3 1 297.443 -0.074 20 0 CBADMP O[C@H](C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1)CC1(O)CC[NH2+]CC1 ZINC001246062168 825631170 /nfs/dbraw/zinc/63/11/70/825631170.db2.gz XSWOTQQIECRSTK-SOUVJXGZSA-N 3 1 297.443 -0.074 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](C)[NH2+]C2)CN1 ZINC001246094587 825634667 /nfs/dbraw/zinc/63/46/67/825634667.db2.gz ISBJBMBXWNZQLU-RHYQMDGZSA-N 2 1 255.362 -0.132 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCNCC2)CN1 ZINC001246089770 825634952 /nfs/dbraw/zinc/63/49/52/825634952.db2.gz SNNRDOSEDKRQJG-OLZOCXBDSA-N 2 1 284.404 -0.835 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H](C)C2)CN1 ZINC001246099114 825635898 /nfs/dbraw/zinc/63/58/98/825635898.db2.gz LNDWBQQIGVQIDT-FIQHERPVSA-N 2 1 255.362 -0.275 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)CN1 ZINC001246099119 825636501 /nfs/dbraw/zinc/63/65/01/825636501.db2.gz LNDWBQQIGVQIDT-USZNOCQGSA-N 2 1 255.362 -0.275 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2C[NH2+]C3)CN1 ZINC001246124710 825637880 /nfs/dbraw/zinc/63/78/80/825637880.db2.gz BRBRSIIHWFNNKX-KZVDOYCCSA-N 2 1 267.373 -0.131 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CN1 ZINC001246145298 825641538 /nfs/dbraw/zinc/64/15/38/825641538.db2.gz MEDWIQIJWSWXFW-AGIUHOORSA-N 2 1 296.415 -0.646 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)CN1 ZINC001246182807 825646624 /nfs/dbraw/zinc/64/66/24/825646624.db2.gz AAEABULWUNIFQB-SRVKXCTJSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1 ZINC001246183743 825647437 /nfs/dbraw/zinc/64/74/37/825647437.db2.gz HPYWXBLETLFCBI-CFKCVQHJSA-N 2 1 253.346 -0.238 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246212433 825650671 /nfs/dbraw/zinc/65/06/71/825650671.db2.gz LYXYXCNDCFJPQG-DCAQKATOSA-N 3 1 285.392 -0.479 20 0 CBADMP FC1(F)CNCC[C@@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246207700 825650960 /nfs/dbraw/zinc/65/09/60/825650960.db2.gz AUDSLZRPXUSTFY-ZJUUUORDSA-N 2 1 260.332 -0.333 20 0 CBADMP CO[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246217174 825651848 /nfs/dbraw/zinc/65/18/48/825651848.db2.gz FERHLAFLPDNKKI-IJLUTSLNSA-N 2 1 254.378 -0.953 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CC[C@H]2F)CN1 ZINC001246220441 825652956 /nfs/dbraw/zinc/65/29/56/825652956.db2.gz GDQWECRTWUOVKF-YTWAJWBKSA-N 2 1 259.325 -0.573 20 0 CBADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246225270 825653432 /nfs/dbraw/zinc/65/34/32/825653432.db2.gz BIHVPZHNWYLCJN-QWRGUYRKSA-N 3 1 274.359 -0.085 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CN1 ZINC001246232022 825654730 /nfs/dbraw/zinc/65/47/30/825654730.db2.gz PPRJJOIWKBLHPF-AEJSXWLSSA-N 2 1 277.315 -0.276 20 0 CBADMP [NH3+][C@@H]1CCc2nn([C@@H]3CC[NH2+]C4(CNC4)C3)cc2C1 ZINC001246241214 825655204 /nfs/dbraw/zinc/65/52/04/825655204.db2.gz YHVTZPWOSJSZGU-VXGBXAGGSA-N 2 1 261.373 -0.034 20 0 CBADMP CC[NH+](CC)CCN(CC[NH3+])[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246237479 825655619 /nfs/dbraw/zinc/65/56/19/825655619.db2.gz CBAKBHGUCONUSR-OLZOCXBDSA-N 3 1 286.420 -0.508 20 0 CBADMP C[C@H]1CC[C@@H]([NH2+]CCOCCOCCOCC[NH3+])CN1 ZINC001246288107 825660437 /nfs/dbraw/zinc/66/04/37/825660437.db2.gz LLEFHPYYMATPJR-UONOGXRCSA-N 2 1 289.420 -0.275 20 0 CBADMP C[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCC[NH3+])CN1 ZINC001246288109 825660483 /nfs/dbraw/zinc/66/04/83/825660483.db2.gz LLEFHPYYMATPJR-ZIAGYGMSSA-N 2 1 289.420 -0.275 20 0 CBADMP C[C@@H]1C[C@H](NCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246291971 825660975 /nfs/dbraw/zinc/66/09/75/825660975.db2.gz WKJQIQROZCIFTG-ZIAGYGMSSA-N 2 1 289.420 -0.275 20 0 CBADMP COC(=O)C1CCC([NH2+][C@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246299867 825661876 /nfs/dbraw/zinc/66/18/76/825661876.db2.gz NSODXOKFCJFVOI-RSJDFQLWSA-N 2 1 256.346 -0.112 20 0 CBADMP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246300505 825662262 /nfs/dbraw/zinc/66/22/62/825662262.db2.gz RXSMIKNGWODAQI-AHPWVWPOSA-N 3 1 269.389 -0.543 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246406673 825671615 /nfs/dbraw/zinc/67/16/15/825671615.db2.gz NNNNBFWFGSKAMZ-LPEHRKFASA-N 2 1 257.334 -0.606 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246404219 825670338 /nfs/dbraw/zinc/67/03/38/825670338.db2.gz FUSHBRRJOLFWCW-GKDVJIACSA-N 2 1 269.345 -0.463 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246406672 825671397 /nfs/dbraw/zinc/67/13/97/825671397.db2.gz NNNNBFWFGSKAMZ-KXUCPTDWSA-N 2 1 257.334 -0.606 20 0 CBADMP CC1(C)C[NH2+]C[C@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)O1 ZINC001246414355 825671523 /nfs/dbraw/zinc/67/15/23/825671523.db2.gz SGFXJZRHOXRRCW-NWDGAFQWSA-N 3 1 268.405 -0.563 20 0 CBADMP [NH3+]CCCC[NH2+]CCCNC1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246455535 825675060 /nfs/dbraw/zinc/67/50/60/825675060.db2.gz GLYLXMLDPRWUNJ-AGUYFDCRSA-N 3 1 270.421 -0.186 20 0 CBADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCN2)CCN1 ZINC001246493698 825677559 /nfs/dbraw/zinc/67/75/59/825677559.db2.gz ZGAFTHRCQKWFJM-GUBZILKMSA-N 2 1 266.311 -0.180 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]3C[NH2+][C@H]2C3)CN1 ZINC001246495264 825677931 /nfs/dbraw/zinc/67/79/31/825677931.db2.gz NPWQTZJGIMNTQP-DGORSVRFSA-N 2 1 253.346 -0.380 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246521157 825679652 /nfs/dbraw/zinc/67/96/52/825679652.db2.gz WVFPQIRUSNQFOO-QWRGUYRKSA-N 2 1 252.362 -0.722 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246546987 825682737 /nfs/dbraw/zinc/68/27/37/825682737.db2.gz BPSKRAGGZBKEGZ-OBJOEFQTSA-N 2 1 285.388 -0.544 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CN1 ZINC001246542515 825682971 /nfs/dbraw/zinc/68/29/71/825682971.db2.gz PTPLAGLHOMIFDL-USZNOCQGSA-N 2 1 255.362 -0.193 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)CN1 ZINC001246544446 825683257 /nfs/dbraw/zinc/68/32/57/825683257.db2.gz WCDXANIOMUNCEI-JCIQBVFBSA-N 2 1 253.346 -0.584 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@H](C)[C@H](C[NH3+])C2)C[NH2+]1 ZINC001246548340 825683806 /nfs/dbraw/zinc/68/38/06/825683806.db2.gz GENWKUUEPDLRLX-WYUUTHIRSA-N 2 1 255.362 -0.193 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2C[C@@H](C)CC[C@H]2C[NH3+])C[NH2+]1 ZINC001246555274 825684192 /nfs/dbraw/zinc/68/41/92/825684192.db2.gz GFHFOVLZQQLLJI-FIQHERPVSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1C[NH3+] ZINC001246551953 825684272 /nfs/dbraw/zinc/68/42/72/825684272.db2.gz MVBAHGDNOZVYEP-AGIUHOORSA-N 3 1 252.406 -0.003 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246556444 825684567 /nfs/dbraw/zinc/68/45/67/825684567.db2.gz ZYWUUDSYMPUJAO-NWANDNLSSA-N 2 1 299.415 -0.154 20 0 CBADMP CO[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1OC ZINC001246553775 825684831 /nfs/dbraw/zinc/68/48/31/825684831.db2.gz UOIBYLXYCORYFC-UTUOFQBUSA-N 2 1 255.362 -0.574 20 0 CBADMP [NH3+]C[C@@]1(O)CCCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246557443 825685202 /nfs/dbraw/zinc/68/52/02/825685202.db2.gz INEBBMLQPDSPFG-OCCSQVGLSA-N 3 1 268.405 -0.744 20 0 CBADMP NC[C@@]1(O)CCCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246557443 825685204 /nfs/dbraw/zinc/68/52/04/825685204.db2.gz INEBBMLQPDSPFG-OCCSQVGLSA-N 2 1 268.405 -0.744 20 0 CBADMP NC[C@@]1(O)CCCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246557443 825685207 /nfs/dbraw/zinc/68/52/07/825685207.db2.gz INEBBMLQPDSPFG-OCCSQVGLSA-N 2 1 268.405 -0.744 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246556442 825685234 /nfs/dbraw/zinc/68/52/34/825685234.db2.gz ZYWUUDSYMPUJAO-AEGPPILISA-N 2 1 299.415 -0.154 20 0 CBADMP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ncccn3)CC2)C[C@H]1O ZINC001246557786 825686235 /nfs/dbraw/zinc/68/62/35/825686235.db2.gz HVFFKIBRTSGREW-CHWSQXEVSA-N 2 1 277.372 -0.161 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CN1 ZINC001246558547 825686367 /nfs/dbraw/zinc/68/63/67/825686367.db2.gz MDGHYMBWSCEIKO-SGMGOOAPSA-N 2 1 285.388 -0.544 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCCC[C@@](O)(C[NH3+])C2)C[NH2+]1 ZINC001246559858 825686509 /nfs/dbraw/zinc/68/65/09/825686509.db2.gz OGDZHNIUQTUHIW-GMXVVIOVSA-N 2 1 271.361 -0.934 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]([NH3+])[C@H](F)CC2)C[NH2+]1 ZINC001246568595 825687266 /nfs/dbraw/zinc/68/72/66/825687266.db2.gz AHRKEUQNISUQHZ-ZDCRXTMVSA-N 2 1 259.325 -0.349 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC[C@@H](C[NH3+])[C@@H]2C)C[NH2+]1 ZINC001246567327 825687282 /nfs/dbraw/zinc/68/72/82/825687282.db2.gz XISZLVPKJCOVPS-BJDJZHNGSA-N 2 1 255.362 -0.051 20 0 CBADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)C[C@H]1O ZINC001246569636 825687581 /nfs/dbraw/zinc/68/75/81/825687581.db2.gz RGZRSWAFOPZGIR-DDHJBXDOSA-N 2 1 253.346 -0.466 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@H]([NH3+])[C@@H](F)CC2)C[NH2+]1 ZINC001246568588 825688083 /nfs/dbraw/zinc/68/80/83/825688083.db2.gz AHRKEUQNISUQHZ-NAKRPEOUSA-N 2 1 259.325 -0.349 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C2CCN(c3ncccn3)CC2)C[C@@H]1O ZINC001246578730 825689092 /nfs/dbraw/zinc/68/90/92/825689092.db2.gz HQUJHBGGOIMNBY-AAEUAGOBSA-N 2 1 277.372 -0.303 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@@H]1O ZINC001246579562 825689227 /nfs/dbraw/zinc/68/92/27/825689227.db2.gz JWQKBSDQXHRNJC-AHPWVWPOSA-N 3 1 269.389 -0.461 20 0 CBADMP COC(=O)[C@H]1C[C@@H](N2C[C@H]([NH3+])CC(F)(F)C2)C[NH2+]1 ZINC001246576181 825689332 /nfs/dbraw/zinc/68/93/32/825689332.db2.gz RHZHAIHZEHYCNZ-IWSPIJDZSA-N 2 1 263.288 -0.442 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCC[C@@H](n3ncnn3)C2)C[C@@H]1O ZINC001246585194 825690066 /nfs/dbraw/zinc/69/00/66/825690066.db2.gz OVOADNQPNRZOBA-QCNOEVLYSA-N 2 1 266.349 -0.592 20 0 CBADMP CCN(CC)C(=O)C[C@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246586194 825690305 /nfs/dbraw/zinc/69/03/05/825690305.db2.gz RMOLEUWBMQXPBJ-SRVKXCTJSA-N 2 1 257.378 -0.115 20 0 CBADMP COC(=O)C1C[C@@H]2CC([N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246588543 825691054 /nfs/dbraw/zinc/69/10/54/825691054.db2.gz WNQXJWCVVQNZRF-OOJLBHAVSA-N 3 1 297.399 -0.690 20 0 CBADMP COC(=O)C1C[C@@H]2CC([N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246588543 825691060 /nfs/dbraw/zinc/69/10/60/825691060.db2.gz WNQXJWCVVQNZRF-OOJLBHAVSA-N 3 1 297.399 -0.690 20 0 CBADMP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246585171 825691119 /nfs/dbraw/zinc/69/11/19/825691119.db2.gz NETQMOQDPJUOGV-NNYUYHANSA-N 2 1 256.346 -0.030 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)C[C@@H]1O ZINC001246583165 825691243 /nfs/dbraw/zinc/69/12/43/825691243.db2.gz ILHKFOFJUJUYTE-QCNOEVLYSA-N 2 1 253.346 -0.609 20 0 CBADMP CCOC(=O)[C@H]1CC[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246585163 825691521 /nfs/dbraw/zinc/69/15/21/825691521.db2.gz NETQMOQDPJUOGV-FIQHERPVSA-N 2 1 256.346 -0.030 20 0 CBADMP CCOC(=O)C1=C(O)CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246590797 825692444 /nfs/dbraw/zinc/69/24/44/825692444.db2.gz AGMRMPVFEJKYDV-VXGBXAGGSA-N 2 1 295.383 -0.466 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CN1 ZINC001246592567 825692856 /nfs/dbraw/zinc/69/28/56/825692856.db2.gz KJTGGPJBLMIHSQ-TUAOUCFPSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CN1 ZINC001246592567 825692858 /nfs/dbraw/zinc/69/28/58/825692858.db2.gz KJTGGPJBLMIHSQ-TUAOUCFPSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCCC[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246592567 825692860 /nfs/dbraw/zinc/69/28/60/825692860.db2.gz KJTGGPJBLMIHSQ-TUAOUCFPSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@]1(CO)C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1O ZINC001246593168 825692974 /nfs/dbraw/zinc/69/29/74/825692974.db2.gz RNDQGSMUMOSJAP-RWMBFGLXSA-N 2 1 269.389 -0.854 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCNC3(CC[NH2+]CC3)C1)CS2 ZINC001246600375 825693713 /nfs/dbraw/zinc/69/37/13/825693713.db2.gz GGAIJXQDZKKZDQ-GFCCVEGCSA-N 3 1 282.457 -0.139 20 0 CBADMP C1[NH2+]CC12C[C@H]([NH+]1CC3(C1)CCC[NH2+]C3)CCN2 ZINC001246602721 825694365 /nfs/dbraw/zinc/69/43/65/825694365.db2.gz CIEXTAURJJPLAQ-GFCCVEGCSA-N 3 1 250.390 -0.234 20 0 CBADMP C1C[C@]2(CCC[NH2+]C2)[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599429 825694422 /nfs/dbraw/zinc/69/44/22/825694422.db2.gz CQPJYYDACLGGIC-OCCSQVGLSA-N 3 1 250.390 -0.092 20 0 CBADMP C1C[C@]2(CCC[NH2+]C2)[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599429 825694425 /nfs/dbraw/zinc/69/44/25/825694425.db2.gz CQPJYYDACLGGIC-OCCSQVGLSA-N 3 1 250.390 -0.092 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCO[C@]3(CCOC3)C1)CCN2 ZINC001246612615 825694998 /nfs/dbraw/zinc/69/49/98/825694998.db2.gz BFIPDTZMBPSCSJ-GXTWGEPZSA-N 2 1 267.373 -0.428 20 0 CBADMP C1C[C@@]2(CCC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)[NH2+]1 ZINC001246613903 825695161 /nfs/dbraw/zinc/69/51/61/825695161.db2.gz RNKSAFXCYZBCQX-CHWSQXEVSA-N 3 1 250.390 -0.092 20 0 CBADMP C1C[C@@]2(CCC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)[NH2+]1 ZINC001246613903 825695165 /nfs/dbraw/zinc/69/51/65/825695165.db2.gz RNKSAFXCYZBCQX-CHWSQXEVSA-N 3 1 250.390 -0.092 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCO[C@@]3(CCOC3)C1)CCN2 ZINC001246612617 825695177 /nfs/dbraw/zinc/69/51/77/825695177.db2.gz BFIPDTZMBPSCSJ-OCCSQVGLSA-N 2 1 267.373 -0.428 20 0 CBADMP O=S1(=O)CC[C@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246612590 825695409 /nfs/dbraw/zinc/69/54/09/825695409.db2.gz ATHYATUQEROHGV-SRVKXCTJSA-N 2 1 273.402 -0.801 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCN[C@H]3CC[NH2+]CC[C@@H]31)CS2 ZINC001246618114 825695449 /nfs/dbraw/zinc/69/54/49/825695449.db2.gz KDAZPJZDCGBAIO-AVGNSLFASA-N 3 1 282.457 -0.140 20 0 CBADMP COC(=O)[C@@H]1CC[C@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CN1 ZINC001246619388 825695586 /nfs/dbraw/zinc/69/55/86/825695586.db2.gz QFAHBQOLUOIBEK-XUXIUFHCSA-N 2 1 296.415 -0.694 20 0 CBADMP C1C[C@]2(C[NH2+]1)C[NH2+]CCN2[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246625854 825696306 /nfs/dbraw/zinc/69/63/06/825696306.db2.gz QFELOTOAVPKQLW-DGAVXFQQSA-N 3 1 250.390 -0.093 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@H]3C[NH2+]CC[C@H]31)CCN2 ZINC001246625094 825696772 /nfs/dbraw/zinc/69/67/72/825696772.db2.gz QZJZMKZCSAZWJZ-RWMBFGLXSA-N 3 1 250.390 -0.236 20 0 CBADMP COC(=O)CC[C@@H](C)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246623907 825696817 /nfs/dbraw/zinc/69/68/17/825696817.db2.gz MAPTVTFUFQDHPC-DGCLKSJQSA-N 2 1 255.362 -0.035 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)CN1 ZINC001246630954 825697985 /nfs/dbraw/zinc/69/79/85/825697985.db2.gz QECBUZCMWUXMJX-KCQAQPDRSA-N 2 1 296.415 -0.693 20 0 CBADMP CC(=O)N1CC[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001246632882 825699561 /nfs/dbraw/zinc/69/95/61/825699561.db2.gz XMXZVDSUEMAAEQ-CHWSQXEVSA-N 2 1 252.362 -0.756 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246641993 825700601 /nfs/dbraw/zinc/70/06/01/825700601.db2.gz KMDFFRVMKKEEQP-MBNYWOFBSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246641993 825700609 /nfs/dbraw/zinc/70/06/09/825700609.db2.gz KMDFFRVMKKEEQP-MBNYWOFBSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)N1CCC([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246640282 825700959 /nfs/dbraw/zinc/70/09/59/825700959.db2.gz FKZQKLVFBANXAT-CQSZACIVSA-N 2 1 282.388 -0.146 20 0 CBADMP COC(=O)N1CCC([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246640282 825700963 /nfs/dbraw/zinc/70/09/63/825700963.db2.gz FKZQKLVFBANXAT-CQSZACIVSA-N 2 1 282.388 -0.146 20 0 CBADMP CC(=O)N1CCC([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246641931 825701356 /nfs/dbraw/zinc/70/13/56/825701356.db2.gz KCPQYVJJOYEZIJ-AWEZNQCLSA-N 2 1 266.389 -0.365 20 0 CBADMP CC(=O)N1CCC([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246641931 825701362 /nfs/dbraw/zinc/70/13/62/825701362.db2.gz KCPQYVJJOYEZIJ-AWEZNQCLSA-N 2 1 266.389 -0.365 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC3(CC[NH2+]3)CC2)C[NH2+]1 ZINC001246645082 825702341 /nfs/dbraw/zinc/70/23/41/825702341.db2.gz APXGQWDKXHSXFP-MNOVXSKESA-N 2 1 253.346 -0.282 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246645894 825702945 /nfs/dbraw/zinc/70/29/45/825702945.db2.gz CZVGFPIHUDYZDI-AGIUHOORSA-N 3 1 250.390 -0.378 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246645894 825702947 /nfs/dbraw/zinc/70/29/47/825702947.db2.gz CZVGFPIHUDYZDI-AGIUHOORSA-N 3 1 250.390 -0.378 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCOC[C@@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246645376 825703015 /nfs/dbraw/zinc/70/30/15/825703015.db2.gz KOSVQMLBVASUNC-LSDHHAIUSA-N 3 1 294.443 -0.218 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1CCOC[C@@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246645376 825703017 /nfs/dbraw/zinc/70/30/17/825703017.db2.gz KOSVQMLBVASUNC-LSDHHAIUSA-N 2 1 294.443 -0.218 20 0 CBADMP OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246662029 825704118 /nfs/dbraw/zinc/70/41/18/825704118.db2.gz VGTCZIKUTNKBRM-DGAVXFQQSA-N 2 1 281.400 -0.448 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)CN1 ZINC001246670851 825705625 /nfs/dbraw/zinc/70/56/25/825705625.db2.gz GEGYDWMJVGNTDQ-BJDJZHNGSA-N 2 1 253.346 -0.426 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)CN1 ZINC001246670851 825705630 /nfs/dbraw/zinc/70/56/30/825705630.db2.gz GEGYDWMJVGNTDQ-BJDJZHNGSA-N 2 1 253.346 -0.426 20 0 CBADMP O=C1NCC[C@@]12CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246703009 825707572 /nfs/dbraw/zinc/70/75/72/825707572.db2.gz HHHMVAKESYIYOM-GXTWGEPZSA-N 2 1 278.400 -0.318 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246697476 825707604 /nfs/dbraw/zinc/70/76/04/825707604.db2.gz ARIIIPCJNCXUDA-HZSPNIEDSA-N 3 1 264.417 -0.036 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246697476 825707608 /nfs/dbraw/zinc/70/76/08/825707608.db2.gz ARIIIPCJNCXUDA-HZSPNIEDSA-N 3 1 264.417 -0.036 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246697476 825707609 /nfs/dbraw/zinc/70/76/09/825707609.db2.gz ARIIIPCJNCXUDA-HZSPNIEDSA-N 3 1 264.417 -0.036 20 0 CBADMP COC(=O)[C@H]1C[C@@H](N2CC[NH2+]C[C@H]2C(C)C)C[NH2+]1 ZINC001246698038 825707710 /nfs/dbraw/zinc/70/77/10/825707710.db2.gz UTSJBIYHWHHWAF-UTUOFQBUSA-N 2 1 255.362 -0.180 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2C(C)C)C[NH2+]1 ZINC001246698040 825708346 /nfs/dbraw/zinc/70/83/46/825708346.db2.gz UTSJBIYHWHHWAF-WOPDTQHZSA-N 2 1 255.362 -0.180 20 0 CBADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246760007 825709148 /nfs/dbraw/zinc/70/91/48/825709148.db2.gz NVYFVBZWVUQSOS-UXIGCNINSA-N 2 1 294.399 -0.450 20 0 CBADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246760007 825709152 /nfs/dbraw/zinc/70/91/52/825709152.db2.gz NVYFVBZWVUQSOS-UXIGCNINSA-N 2 1 294.399 -0.450 20 0 CBADMP COCCCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)[C@H]1CCC[NH2+]C1 ZINC001246806308 825713523 /nfs/dbraw/zinc/71/35/23/825713523.db2.gz HPBFSNSSSLPWIH-MJBXVCDLSA-N 2 1 299.415 -0.020 20 0 CBADMP COCCCN([C@@H]1C[NH2+][C@H](C(=O)OC)C1)[C@H]1CCC[NH2+]C1 ZINC001246806301 825713561 /nfs/dbraw/zinc/71/35/61/825713561.db2.gz HPBFSNSSSLPWIH-IHRRRGAJSA-N 2 1 299.415 -0.020 20 0 CBADMP O=c1[nH]c(=O)c2c([nH]1)CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246818448 825714926 /nfs/dbraw/zinc/71/49/26/825714926.db2.gz CYBPGFANGFEMDX-VIFPVBQESA-N 2 1 291.355 -0.660 20 0 CBADMP COCCC[NH+]1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246817871 825715354 /nfs/dbraw/zinc/71/53/54/825715354.db2.gz NNVIDZCBHOHEGM-CQSZACIVSA-N 2 1 282.432 -0.266 20 0 CBADMP C[N@H+](C1CN([C@H]2CCNC3(C[NH2+]C3)C2)C1)[C@H]1CCOC1 ZINC001246820814 825715870 /nfs/dbraw/zinc/71/58/70/825715870.db2.gz QITMQBFVSDUILR-STQMWFEESA-N 2 1 280.416 -0.515 20 0 CBADMP C[N@@H+](C1CN([C@H]2CCNC3(C[NH2+]C3)C2)C1)[C@H]1CCOC1 ZINC001246820814 825715874 /nfs/dbraw/zinc/71/58/74/825715874.db2.gz QITMQBFVSDUILR-STQMWFEESA-N 2 1 280.416 -0.515 20 0 CBADMP C1[NH2+]CC12CCC(N1CC[NH2+]CCNCC[NH2+]CC1)CC2 ZINC001246819076 825716502 /nfs/dbraw/zinc/71/65/02/825716502.db2.gz GHJVZLFDDUKDFR-UHFFFAOYSA-N 3 1 295.475 -0.397 20 0 CBADMP CCN1CC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC1=O ZINC001246824933 825717647 /nfs/dbraw/zinc/71/76/47/825717647.db2.gz ZSWPQTZIQKWQLJ-CQSZACIVSA-N 2 1 297.447 -0.918 20 0 CBADMP O=C1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]2CCCN12 ZINC001246838580 825718487 /nfs/dbraw/zinc/71/84/87/825718487.db2.gz YMOLTIDMXCKVBM-NWDGAFQWSA-N 2 1 264.373 -0.613 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCCC3(C1)OCCO3)CCN2 ZINC001246838732 825718595 /nfs/dbraw/zinc/71/85/95/825718595.db2.gz FJQOVCYWDVLMMA-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP CN1CC[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246840778 825720022 /nfs/dbraw/zinc/72/00/22/825720022.db2.gz KMGVVVWVKSCKQS-YNEHKIRRSA-N 2 1 250.390 -0.284 20 0 CBADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246842386 825720272 /nfs/dbraw/zinc/72/02/72/825720272.db2.gz QPCSFAFXCYUNBX-YVECIDJPSA-N 3 1 250.390 -0.251 20 0 CBADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246842386 825720276 /nfs/dbraw/zinc/72/02/76/825720276.db2.gz QPCSFAFXCYUNBX-YVECIDJPSA-N 3 1 250.390 -0.251 20 0 CBADMP O=C1NC[C@@H]2CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]12 ZINC001246847806 825720890 /nfs/dbraw/zinc/72/08/90/825720890.db2.gz SPYXDHKXLWXUJY-SRVKXCTJSA-N 2 1 264.373 -0.852 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])CN1 ZINC001246843565 825721445 /nfs/dbraw/zinc/72/14/45/825721445.db2.gz VDJUZAAWFDEHGH-RXGFPQBGSA-N 2 1 267.373 -0.051 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])CN1 ZINC001246843565 825721449 /nfs/dbraw/zinc/72/14/49/825721449.db2.gz VDJUZAAWFDEHGH-RXGFPQBGSA-N 2 1 267.373 -0.051 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@@H+]1C[C@H]3C[NH2+]CC[C@@H]3C1)CCN2 ZINC001246842150 825721588 /nfs/dbraw/zinc/72/15/88/825721588.db2.gz BIMBHONEKXFSSB-JHJVBQTASA-N 3 1 250.390 -0.378 20 0 CBADMP CS(=O)(=O)N1CCC([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246862786 825724102 /nfs/dbraw/zinc/72/41/02/825724102.db2.gz RLWQMTDCTVJITO-JQWIXIFHSA-N 2 1 273.402 -0.167 20 0 CBADMP CS(=O)(=O)N1CCC([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246862786 825724108 /nfs/dbraw/zinc/72/41/08/825724108.db2.gz RLWQMTDCTVJITO-JQWIXIFHSA-N 2 1 273.402 -0.167 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@H]3CC[NH2+]C3)C[C@H]1C2 ZINC001246860071 825724285 /nfs/dbraw/zinc/72/42/85/825724285.db2.gz SCRIQJFAYMESKT-KDBYPZKRSA-N 3 1 279.384 -0.321 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN([C@H]3CC[NH2+]C3)C[C@H]1C2 ZINC001246860071 825724294 /nfs/dbraw/zinc/72/42/94/825724294.db2.gz SCRIQJFAYMESKT-KDBYPZKRSA-N 2 1 279.384 -0.321 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@@H]3CC[NH2+]C3)C[C@H]1C2 ZINC001246860072 825724464 /nfs/dbraw/zinc/72/44/64/825724464.db2.gz SCRIQJFAYMESKT-VVSAWPALSA-N 3 1 279.384 -0.321 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN([C@@H]3CC[NH2+]C3)C[C@H]1C2 ZINC001246860072 825724466 /nfs/dbraw/zinc/72/44/66/825724466.db2.gz SCRIQJFAYMESKT-VVSAWPALSA-N 2 1 279.384 -0.321 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246869157 825725234 /nfs/dbraw/zinc/72/52/34/825725234.db2.gz FKKMONKEHTVIDD-STQMWFEESA-N 2 1 284.404 -0.883 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246882065 825726831 /nfs/dbraw/zinc/72/68/31/825726831.db2.gz PNXCCAQETBKXPA-KXNHARMFSA-N 2 1 253.346 -0.284 20 0 CBADMP [NH3+]C1CN([C@@H]2CCC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246871659 825727357 /nfs/dbraw/zinc/72/73/57/825727357.db2.gz NNLMJYIIRMGKLO-ZIAGYGMSSA-N 3 1 279.432 -0.812 20 0 CBADMP CCOC(=O)[C@H]1[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246874940 825727554 /nfs/dbraw/zinc/72/75/54/825727554.db2.gz UZUDDKZPUYTOCW-WUHRBBMRSA-N 2 1 279.384 -0.179 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C[NH2+]1 ZINC001246895805 825729102 /nfs/dbraw/zinc/72/91/02/825729102.db2.gz QTZSMFNGSULAJS-OWTLIXCDSA-N 2 1 267.373 -0.227 20 0 CBADMP CCC[C@@H]1C[NH2+]CCN1[C@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC001246928933 825732484 /nfs/dbraw/zinc/73/24/84/825732484.db2.gz PIERTURUUNVPBM-IJLUTSLNSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@@H]1N ZINC001246928759 825732789 /nfs/dbraw/zinc/73/27/89/825732789.db2.gz AIPBSEYLZTYGMA-ICRTXTNUSA-N 2 1 297.399 -0.280 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@@H]1N ZINC001246928759 825732794 /nfs/dbraw/zinc/73/27/94/825732794.db2.gz AIPBSEYLZTYGMA-ICRTXTNUSA-N 2 1 297.399 -0.280 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1N ZINC001246928757 825733052 /nfs/dbraw/zinc/73/30/52/825733052.db2.gz AIPBSEYLZTYGMA-DNCHLWJUSA-N 2 1 297.399 -0.280 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1N ZINC001246928757 825733055 /nfs/dbraw/zinc/73/30/55/825733055.db2.gz AIPBSEYLZTYGMA-DNCHLWJUSA-N 2 1 297.399 -0.280 20 0 CBADMP COCC[N@H+]([C@@H]1CCC[NH2+]C1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246926738 825733174 /nfs/dbraw/zinc/73/31/74/825733174.db2.gz DYUCSFJDSMXXPS-UONOGXRCSA-N 3 1 282.432 -0.219 20 0 CBADMP COCC[N@@H+]([C@@H]1CCC[NH2+]C1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246926738 825733176 /nfs/dbraw/zinc/73/31/76/825733176.db2.gz DYUCSFJDSMXXPS-UONOGXRCSA-N 3 1 282.432 -0.219 20 0 CBADMP COCCN([C@@H]1C[NH2+][C@H](C(=O)OC)C1)[C@@H]1CCC[NH2+]C1 ZINC001246929040 825733191 /nfs/dbraw/zinc/73/31/91/825733191.db2.gz NNAYRRVVUAXQFQ-AGIUHOORSA-N 2 1 285.388 -0.410 20 0 CBADMP COCCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)[C@H]1CCC[NH2+]C1 ZINC001246929043 825733329 /nfs/dbraw/zinc/73/33/29/825733329.db2.gz NNAYRRVVUAXQFQ-XQQFMLRXSA-N 2 1 285.388 -0.410 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C2CCC3(C[NH2+]C3)CC2)C[C@@H]1N ZINC001246934682 825733804 /nfs/dbraw/zinc/73/38/04/825733804.db2.gz VWGQTKMXWMUYFJ-NEPJUHHUSA-N 2 1 267.373 -0.049 20 0 CBADMP COC(=O)[C@@H]1CN(C2CCC3(C[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001246934682 825733806 /nfs/dbraw/zinc/73/38/06/825733806.db2.gz VWGQTKMXWMUYFJ-NEPJUHHUSA-N 2 1 267.373 -0.049 20 0 CBADMP CCN(C[C@H]1CC[NH2+]C1)[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246935357 825734034 /nfs/dbraw/zinc/73/40/34/825734034.db2.gz HHQKXDPLIPSQGY-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP CCCN([C@H]1CC[NH2+]C1)[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246932397 825734445 /nfs/dbraw/zinc/73/44/45/825734445.db2.gz AHHMGMUXFYLKGV-SRVKXCTJSA-N 2 1 255.362 -0.036 20 0 CBADMP [NH3+]C1CCN([C@@H]2CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)CC1 ZINC001246978366 825737124 /nfs/dbraw/zinc/73/71/24/825737124.db2.gz SBXHAKNISKNBFM-HUUCEWRRSA-N 3 1 293.459 -0.422 20 0 CBADMP [NH3+]C1CCN([C@@H]2CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)CC1 ZINC001246978367 825737327 /nfs/dbraw/zinc/73/73/27/825737327.db2.gz SBXHAKNISKNBFM-LSDHHAIUSA-N 3 1 293.459 -0.422 20 0 CBADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]12 ZINC001246971997 825737493 /nfs/dbraw/zinc/73/74/93/825737493.db2.gz CEGLQLGNHSBAPL-MROQNXINSA-N 3 1 250.390 -0.251 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCO[C@@H](C[NH+]3CCCC3)C2)C[NH2+]1 ZINC001246980081 825737568 /nfs/dbraw/zinc/73/75/68/825737568.db2.gz QUKLPLUGDBGJTB-RDBSUJKOSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[NH+](CC)C[C@H]1CN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)CCO1 ZINC001246983780 825738653 /nfs/dbraw/zinc/73/86/53/825738653.db2.gz IWLXEXZHFJKRNA-IHRRRGAJSA-N 2 1 299.415 -0.068 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246986529 825738807 /nfs/dbraw/zinc/73/88/07/825738807.db2.gz LEODHSUPEVRXJT-RDBSUJKOSA-N 3 1 298.431 -0.495 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@]3(C1)CNCCO3)CCN2 ZINC001246990650 825739461 /nfs/dbraw/zinc/73/94/61/825739461.db2.gz XAYUKFGOTBRJQB-TZMCWYRMSA-N 2 1 266.389 -0.855 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C(F)(F)F)C[NH2+]1 ZINC001246986696 825739600 /nfs/dbraw/zinc/73/96/00/825739600.db2.gz GABZEWWPGHLEAU-HRDYMLBCSA-N 2 1 281.278 -0.274 20 0 CBADMP CC(=O)[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001247002741 825743194 /nfs/dbraw/zinc/74/31/94/825743194.db2.gz LFFBJRGFBZUFMB-NWDGAFQWSA-N 2 1 253.346 -0.630 20 0 CBADMP CC(=O)[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001247002741 825743199 /nfs/dbraw/zinc/74/31/99/825743199.db2.gz LFFBJRGFBZUFMB-NWDGAFQWSA-N 2 1 253.346 -0.630 20 0 CBADMP C[NH+](C)CCNC(=S)NCC[NH+]1CC2(COC2)C1 ZINC001249849193 825750863 /nfs/dbraw/zinc/75/08/63/825750863.db2.gz XEQDPYNFRUQNJF-UHFFFAOYSA-N 2 1 272.418 -0.656 20 0 CBADMP O=C(CC[NH2+]C[C@@H](O)C(F)(F)F)NCCc1cnc[nH]1 ZINC001250995707 825755153 /nfs/dbraw/zinc/75/51/53/825755153.db2.gz XQCPXTGZYRTXQC-SECBINFHSA-N 2 1 294.277 -0.029 20 0 CBADMP O[C@H](C[NH2+]CCCc1[nH]cc[nH+]1)CN1CCOCC1 ZINC001251049262 825772458 /nfs/dbraw/zinc/77/24/58/825772458.db2.gz VKGCGMPSXKGXNF-GFCCVEGCSA-N 2 1 268.361 -0.375 20 0 CBADMP OC[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001252068335 825828125 /nfs/dbraw/zinc/82/81/25/825828125.db2.gz GXCOHMLLVIIVSG-HNNXBMFYSA-N 2 1 280.368 -0.038 20 0 CBADMP CN1CC[NH+](Cc2ccccc2C[NH2+]C[C@H](O)CO)CC1 ZINC001252070037 825828460 /nfs/dbraw/zinc/82/84/60/825828460.db2.gz MYTFDZKXBAGAPR-INIZCTEOSA-N 2 1 293.411 -0.123 20 0 CBADMP CC(C)OC[C@@H](O)C[NH2+]C1CC[NH+](CCO)CC1 ZINC001252693482 825884336 /nfs/dbraw/zinc/88/43/36/825884336.db2.gz PKKQCVXVUUZBQM-ZDUSSCGKSA-N 2 1 260.378 -0.181 20 0 CBADMP CC(C)OC[C@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001252692849 825883669 /nfs/dbraw/zinc/88/36/69/825883669.db2.gz HVYCHILKWMCVLM-CQSZACIVSA-N 2 1 273.421 -0.001 20 0 CBADMP CC(C)(C)OC(=O)[C@@H](O)C[NH2+]C1CC[NH+](CCO)CC1 ZINC001253703998 825926170 /nfs/dbraw/zinc/92/61/70/825926170.db2.gz NBCYEETZDIYEAR-LBPRGKRZSA-N 2 1 288.388 -0.265 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001253175358 825902664 /nfs/dbraw/zinc/90/26/64/825902664.db2.gz JCKBREMDNPETIU-LLVKDONJSA-N 2 1 258.366 -0.696 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001253187489 825903258 /nfs/dbraw/zinc/90/32/58/825903258.db2.gz FECYHWLVLGVNKQ-AVGNSLFASA-N 2 1 269.389 -0.243 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001253187489 825903263 /nfs/dbraw/zinc/90/32/63/825903263.db2.gz FECYHWLVLGVNKQ-AVGNSLFASA-N 2 1 269.389 -0.243 20 0 CBADMP CC[NH+](CC)C[C@@H](O)CN1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001253192102 825903799 /nfs/dbraw/zinc/90/37/99/825903799.db2.gz JQKVMHWDGWVXGH-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+](CC)C[C@@H](O)CN1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001253192102 825903805 /nfs/dbraw/zinc/90/38/05/825903805.db2.gz JQKVMHWDGWVXGH-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CCN(C(C)=O)C1 ZINC001253210841 825906514 /nfs/dbraw/zinc/90/65/14/825906514.db2.gz PDNVBJYVVOOMIG-STQMWFEESA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[NH2+]CCN1CCOC[C@@H]1C ZINC001253214951 825907034 /nfs/dbraw/zinc/90/70/34/825907034.db2.gz TYOISBKVMSEALL-UONOGXRCSA-N 2 1 273.421 -0.001 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C)CCN1C[C@H](O)C[NH2+]C(C)(C)C ZINC001253395499 825912267 /nfs/dbraw/zinc/91/22/67/825912267.db2.gz HMHZBVQLWVPHNK-NEPJUHHUSA-N 2 1 287.404 -0.476 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C)CCN1C[C@H](O)C[NH2+]C(C)(C)C ZINC001253395499 825912269 /nfs/dbraw/zinc/91/22/69/825912269.db2.gz HMHZBVQLWVPHNK-NEPJUHHUSA-N 2 1 287.404 -0.476 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001253405180 825914218 /nfs/dbraw/zinc/91/42/18/825914218.db2.gz RLMXSYILAHOSLF-QWRGUYRKSA-N 2 1 278.418 -0.240 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1[C@H](O)CCC[C@@H]1O ZINC001253412403 825915161 /nfs/dbraw/zinc/91/51/61/825915161.db2.gz HBAKQZRVTYSTCH-NNYUYHANSA-N 2 1 260.378 -0.401 20 0 CBADMP CC(C)(C)[C@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001253740497 825929803 /nfs/dbraw/zinc/92/98/03/825929803.db2.gz BJWOFXFWUBVHME-GFCCVEGCSA-N 2 1 262.394 -0.340 20 0 CBADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001254504050 825963885 /nfs/dbraw/zinc/96/38/85/825963885.db2.gz RTEOBOIVHVONFN-MLGHIDQZSA-N 2 1 258.362 -0.837 20 0 CBADMP CCOC(=O)CNC(=O)C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254505201 825964709 /nfs/dbraw/zinc/96/47/09/825964709.db2.gz ZTCHBDOQASRAQJ-LLVKDONJSA-N 2 1 271.361 -0.260 20 0 CBADMP CCOC(=O)CNC(=O)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254505201 825964717 /nfs/dbraw/zinc/96/47/17/825964717.db2.gz ZTCHBDOQASRAQJ-LLVKDONJSA-N 2 1 271.361 -0.260 20 0 CBADMP C[N@H+]1CCC[C@@H]([NH2+]CCN2CCS(=O)(=O)CC2)CC1 ZINC001254508667 825965834 /nfs/dbraw/zinc/96/58/34/825965834.db2.gz KXGBBACELWWORI-CYBMUJFWSA-N 2 1 289.445 -0.209 20 0 CBADMP CC[NH+](CC)CC[C@H](C)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001255953917 825995990 /nfs/dbraw/zinc/99/59/90/825995990.db2.gz WPXQINFKAYIXSI-RNJOBUHISA-N 2 1 270.425 -0.901 20 0 CBADMP CCOC(=O)N1CC[C@@H]([NH+]2CCN(CC[NH3+])CC2)C1 ZINC001256015073 825997370 /nfs/dbraw/zinc/99/73/70/825997370.db2.gz VAZACBXTQPNNRH-GFCCVEGCSA-N 2 1 270.377 -0.207 20 0 CBADMP CCOC(=O)N1CC[C@H]([NH+]2CCN(CC[NH3+])CC2)C1 ZINC001256015078 825997651 /nfs/dbraw/zinc/99/76/51/825997651.db2.gz VAZACBXTQPNNRH-LBPRGKRZSA-N 2 1 270.377 -0.207 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[NH2+]C1CC[NH+](CCO)CC1 ZINC001256323649 826010471 /nfs/dbraw/zinc/01/04/71/826010471.db2.gz NWODPFLAVPJOOI-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)(C)[NH+]1CCC([NH2+]C(CO)(CO)CO)CC1 ZINC001256561593 826025294 /nfs/dbraw/zinc/02/52/94/826025294.db2.gz KYDKQKKPVJSYEV-UHFFFAOYSA-N 2 1 260.378 -0.445 20 0 CBADMP OC[C@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)C[C@@H]1O ZINC001256690057 826029377 /nfs/dbraw/zinc/02/93/77/826029377.db2.gz FNFORCSPABLXTA-URGYJCLVSA-N 2 1 284.400 -0.085 20 0 CBADMP NC[C@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256849351 826034344 /nfs/dbraw/zinc/03/43/44/826034344.db2.gz WPPMNEZALKCXOJ-ZDUSSCGKSA-N 2 1 250.346 -0.040 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001261380789 826509220 /nfs/dbraw/zinc/50/92/20/826509220.db2.gz REIAVYSCUYTQHP-RYUDHWBXSA-N 2 1 286.420 -0.053 20 0 CBADMP O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)Cn1cccn1 ZINC001261482191 826521446 /nfs/dbraw/zinc/52/14/46/826521446.db2.gz DCKYKQRNWJRFAH-CQSZACIVSA-N 2 1 282.388 -0.320 20 0 CBADMP C[C@H](C(=O)N1CC[C@](C)(C[NH3+])C1)N1CC[NH+](C)CC1 ZINC001261495114 826525792 /nfs/dbraw/zinc/52/57/92/826525792.db2.gz SOWDWPBYYGSIMB-TZMCWYRMSA-N 2 1 268.405 -0.180 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)c1cnn(C)c1 ZINC001261500496 826526875 /nfs/dbraw/zinc/52/68/75/826526875.db2.gz UNDQYRGYWYCQEB-NWDGAFQWSA-N 2 1 265.361 -0.109 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)c1cnn(C)c1 ZINC001261500496 826526883 /nfs/dbraw/zinc/52/68/83/826526883.db2.gz UNDQYRGYWYCQEB-NWDGAFQWSA-N 2 1 265.361 -0.109 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001261515617 826530775 /nfs/dbraw/zinc/53/07/75/826530775.db2.gz NTTPXWFWIAVBON-QJPTWQEYSA-N 2 1 255.362 -0.049 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])CC[N@H+]1C ZINC001261644569 826554679 /nfs/dbraw/zinc/55/46/79/826554679.db2.gz FCLVYYNREQIFBG-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP C[N@H+]1CC[C@H]2CN(CC(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC001261853371 826598509 /nfs/dbraw/zinc/59/85/09/826598509.db2.gz FPQPQVUEHNITMG-STQMWFEESA-N 2 1 266.389 -0.556 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[N@H+]1C ZINC001262062094 826629322 /nfs/dbraw/zinc/62/93/22/826629322.db2.gz RIMFKFVBIUBFQL-QJPTWQEYSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001262062719 826629370 /nfs/dbraw/zinc/62/93/70/826629370.db2.gz FYVPJNWLTDWEBU-UPJWGTAASA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001262068802 826630958 /nfs/dbraw/zinc/63/09/58/826630958.db2.gz LPIQZDWOOPLOOG-AVGNSLFASA-N 2 1 296.415 -0.489 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001262161624 826645878 /nfs/dbraw/zinc/64/58/78/826645878.db2.gz PDUVXQHLQVYMMH-QWHCGFSZSA-N 2 1 294.399 -0.367 20 0 CBADMP C([C@H]1CC2(C[NH2+]C2)CO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001262195399 826657274 /nfs/dbraw/zinc/65/72/74/826657274.db2.gz ZFFXGEXMOJFHOG-ZIAGYGMSSA-N 2 1 280.416 -0.656 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CCn1cnccc1=O)C1CC1 ZINC001262576327 826711465 /nfs/dbraw/zinc/71/14/65/826711465.db2.gz NKWDCRZMPZOSDO-LBPRGKRZSA-N 2 1 266.345 -0.712 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCn1cnccc1=O)C1CC1 ZINC001262576327 826711468 /nfs/dbraw/zinc/71/14/68/826711468.db2.gz NKWDCRZMPZOSDO-LBPRGKRZSA-N 2 1 266.345 -0.712 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001262571749 826711569 /nfs/dbraw/zinc/71/15/69/826711569.db2.gz BWPBCKSVXPIUIB-UHFFFAOYSA-N 2 1 285.436 -0.077 20 0 CBADMP [NH3+]CCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001262584107 826712314 /nfs/dbraw/zinc/71/23/14/826712314.db2.gz QWEXSHTXQRRPQD-OKILXGFUSA-N 2 1 295.431 -0.055 20 0 CBADMP [NH3+]CCCNC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001262584107 826712317 /nfs/dbraw/zinc/71/23/17/826712317.db2.gz QWEXSHTXQRRPQD-OKILXGFUSA-N 2 1 295.431 -0.055 20 0 CBADMP C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001262604171 826717496 /nfs/dbraw/zinc/71/74/96/826717496.db2.gz IRSVBXIMAIIDQN-CYBMUJFWSA-N 2 1 269.389 -0.241 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001262604171 826717502 /nfs/dbraw/zinc/71/75/02/826717502.db2.gz IRSVBXIMAIIDQN-CYBMUJFWSA-N 2 1 269.389 -0.241 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[NH+]3CCC2CC3)C1 ZINC001262639033 826720873 /nfs/dbraw/zinc/72/08/73/826720873.db2.gz QHZKWFBVUQIFJL-QWHCGFSZSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[NH+]3CCC2CC3)C1 ZINC001262639033 826720876 /nfs/dbraw/zinc/72/08/76/826720876.db2.gz QHZKWFBVUQIFJL-QWHCGFSZSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1ccnc(N)n1 ZINC001262699606 826723794 /nfs/dbraw/zinc/72/37/94/826723794.db2.gz GCCVBMWPBMRDNG-NXEZZACHSA-N 2 1 251.334 -0.050 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2C[NH2+]CCN2C)C[C@H](C)O1 ZINC001263093913 826735029 /nfs/dbraw/zinc/73/50/29/826735029.db2.gz QDKCAZSYQJOHGP-HZSPNIEDSA-N 2 1 298.431 -0.495 20 0 CBADMP C[NH2+]C1(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCC1 ZINC001263099092 826736379 /nfs/dbraw/zinc/73/63/79/826736379.db2.gz XZORCWCCQOQFON-LBPRGKRZSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC[N@H+]1C ZINC001263100187 826736724 /nfs/dbraw/zinc/73/67/24/826736724.db2.gz HHTLNVCHKPJTJP-UZWSLXQKSA-N 2 1 255.362 -0.302 20 0 CBADMP C[C@H]1Cn2nc(C(=O)NCCOCC[NH+](C)C)cc2C[NH2+]1 ZINC001263117192 826742238 /nfs/dbraw/zinc/74/22/38/826742238.db2.gz UWPHRIMSKZJTHG-NSHDSACASA-N 2 1 295.387 -0.317 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001263161009 826746262 /nfs/dbraw/zinc/74/62/62/826746262.db2.gz UCIVQSRGQQJNFH-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH2+][C@H](C(=O)NCCOCCC[NH3+])c1cnn(C)c1 ZINC001263167362 826747844 /nfs/dbraw/zinc/74/78/44/826747844.db2.gz IFCADTWUOIKHSM-NSHDSACASA-N 2 1 269.349 -0.838 20 0 CBADMP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1[NH2+]CCc2occc21 ZINC001263170684 826748650 /nfs/dbraw/zinc/74/86/50/826748650.db2.gz WGLKZRUVKBSCNL-CABZTGNLSA-N 2 1 267.329 -0.495 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)NCCCCC[NH+]1CCNCC1 ZINC001263207982 826753853 /nfs/dbraw/zinc/75/38/53/826753853.db2.gz XJFFJKLKYMHFCI-CQSZACIVSA-N 2 1 298.431 -0.443 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)Nc1cc2n(n1)CC[NH2+]C2 ZINC001263244971 826757359 /nfs/dbraw/zinc/75/73/59/826757359.db2.gz ULMRGTIMDWFUBS-VIFPVBQESA-N 2 1 265.317 -0.697 20 0 CBADMP CN1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CC[N@@H+](C)CC1 ZINC001263245573 826757580 /nfs/dbraw/zinc/75/75/80/826757580.db2.gz NLPMHTVMKDPZGN-ZDUSSCGKSA-N 2 1 282.432 -0.062 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001263274420 826760117 /nfs/dbraw/zinc/76/01/17/826760117.db2.gz BNLPZPWSPLUWEL-NTZNESFSSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@@H](NC(=O)CCC1C[NH2+]C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001263306002 826762871 /nfs/dbraw/zinc/76/28/71/826762871.db2.gz NFQKCGOHROEDBV-YPMHNXCESA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H](NC(=O)CCC1C[NH2+]C1)[C@@H]1CN(C)CCN1C ZINC001263306002 826762876 /nfs/dbraw/zinc/76/28/76/826762876.db2.gz NFQKCGOHROEDBV-YPMHNXCESA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H](NC(=O)CCC1C[NH2+]C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001263306002 826762878 /nfs/dbraw/zinc/76/28/78/826762878.db2.gz NFQKCGOHROEDBV-YPMHNXCESA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H](NC(=O)CCC1C[NH2+]C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001263306002 826762885 /nfs/dbraw/zinc/76/28/85/826762885.db2.gz NFQKCGOHROEDBV-YPMHNXCESA-N 2 1 268.405 -0.264 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001263746362 826774642 /nfs/dbraw/zinc/77/46/42/826774642.db2.gz KFTVVFLBJXOMEE-KBPBESRZSA-N 2 1 298.431 -0.541 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001263746362 826774643 /nfs/dbraw/zinc/77/46/43/826774643.db2.gz KFTVVFLBJXOMEE-KBPBESRZSA-N 2 1 298.431 -0.541 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001263746362 826774645 /nfs/dbraw/zinc/77/46/45/826774645.db2.gz KFTVVFLBJXOMEE-KBPBESRZSA-N 2 1 298.431 -0.541 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCOCCO)C2)C1 ZINC001264438998 826812191 /nfs/dbraw/zinc/81/21/91/826812191.db2.gz HVUGUXAWTWLAMD-MGPQQGTHSA-N 2 1 299.415 -0.569 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]CCCO)C2CC2)C1 ZINC001265380496 826888761 /nfs/dbraw/zinc/88/87/61/826888761.db2.gz OCGCWCPASCRTIG-CHWSQXEVSA-N 2 1 269.389 -0.195 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001265573189 826905316 /nfs/dbraw/zinc/90/53/16/826905316.db2.gz XXDSAQKFOMVPLF-UTUOFQBUSA-N 2 1 257.378 -0.056 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCCNC(=O)CC[NH+](C)C)C1=O ZINC001265917051 826938519 /nfs/dbraw/zinc/93/85/19/826938519.db2.gz AIGCSSCJSVFYGJ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001265922806 826938603 /nfs/dbraw/zinc/93/86/03/826938603.db2.gz HWFZNPUVIXEUAK-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001265922806 826938609 /nfs/dbraw/zinc/93/86/09/826938609.db2.gz HWFZNPUVIXEUAK-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001265922806 826938614 /nfs/dbraw/zinc/93/86/14/826938614.db2.gz HWFZNPUVIXEUAK-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC(N)=O ZINC001265936733 826939458 /nfs/dbraw/zinc/93/94/58/826939458.db2.gz FZUZQPXTQYKUJV-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)CC(N)=O ZINC001265936733 826939463 /nfs/dbraw/zinc/93/94/63/826939463.db2.gz FZUZQPXTQYKUJV-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)CC(N)=O ZINC001265936733 826939471 /nfs/dbraw/zinc/93/94/71/826939471.db2.gz FZUZQPXTQYKUJV-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC(N)=O ZINC001265936735 826940059 /nfs/dbraw/zinc/94/00/59/826940059.db2.gz FZUZQPXTQYKUJV-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)CC(N)=O ZINC001265936735 826940064 /nfs/dbraw/zinc/94/00/64/826940064.db2.gz FZUZQPXTQYKUJV-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)CC(N)=O ZINC001265936735 826940068 /nfs/dbraw/zinc/94/00/68/826940068.db2.gz FZUZQPXTQYKUJV-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@@H](C(=O)NCCC[N@@H+](C)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001265954972 826942288 /nfs/dbraw/zinc/94/22/88/826942288.db2.gz YYJAYYJVBGWEMP-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+](C)C[C@H](C)O)C1 ZINC001265975984 826944855 /nfs/dbraw/zinc/94/48/55/826944855.db2.gz JBBSYKZQZXIKHU-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH+](C)C[C@H](C)O)C1 ZINC001265975984 826944857 /nfs/dbraw/zinc/94/48/57/826944857.db2.gz JBBSYKZQZXIKHU-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCCC[N@H+](C)C[C@H](C)O)C1 ZINC001265975984 826944858 /nfs/dbraw/zinc/94/48/58/826944858.db2.gz JBBSYKZQZXIKHU-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCCC[N@@H+](C)C[C@H](C)O)C1 ZINC001265975984 826944861 /nfs/dbraw/zinc/94/48/61/826944861.db2.gz JBBSYKZQZXIKHU-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001266174777 826958852 /nfs/dbraw/zinc/95/88/52/826958852.db2.gz UFFSNIBRHRHEPC-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001266174777 826958860 /nfs/dbraw/zinc/95/88/60/826958860.db2.gz UFFSNIBRHRHEPC-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266174777 826958866 /nfs/dbraw/zinc/95/88/66/826958866.db2.gz UFFSNIBRHRHEPC-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266339654 826986224 /nfs/dbraw/zinc/98/62/24/826986224.db2.gz VDRNWOAAGZRYBJ-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001266361946 826990811 /nfs/dbraw/zinc/99/08/11/826990811.db2.gz VEMPCVUQPHVYOO-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001266361946 826990817 /nfs/dbraw/zinc/99/08/17/826990817.db2.gz VEMPCVUQPHVYOO-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001266361946 826990823 /nfs/dbraw/zinc/99/08/23/826990823.db2.gz VEMPCVUQPHVYOO-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001266361946 826990828 /nfs/dbraw/zinc/99/08/28/826990828.db2.gz VEMPCVUQPHVYOO-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1CCO ZINC001266495946 827007351 /nfs/dbraw/zinc/00/73/51/827007351.db2.gz XPZSICSFJXEFFO-LBPRGKRZSA-N 2 1 255.362 -0.345 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533394 827018166 /nfs/dbraw/zinc/01/81/66/827018166.db2.gz IXBZURNYFLLJNC-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533392 827018753 /nfs/dbraw/zinc/01/87/53/827018753.db2.gz IXBZURNYFLLJNC-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](O)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001266584774 827026253 /nfs/dbraw/zinc/02/62/53/827026253.db2.gz MEOLTWDPJOKXME-AAVRWANBSA-N 2 1 299.415 -0.285 20 0 CBADMP C[C@@H](O)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001266584774 827026266 /nfs/dbraw/zinc/02/62/66/827026266.db2.gz MEOLTWDPJOKXME-AAVRWANBSA-N 2 1 299.415 -0.285 20 0 CBADMP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001266585210 827026682 /nfs/dbraw/zinc/02/66/82/827026682.db2.gz WKOSYAHNDYNCKZ-MGPQQGTHSA-N 2 1 299.415 -0.021 20 0 CBADMP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001266585210 827026694 /nfs/dbraw/zinc/02/66/94/827026694.db2.gz WKOSYAHNDYNCKZ-MGPQQGTHSA-N 2 1 299.415 -0.021 20 0 CBADMP CN(CC[NH2+]CCN1CCCC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001266659853 827042867 /nfs/dbraw/zinc/04/28/67/827042867.db2.gz IRAHZQLAUIRPOB-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001266729920 827058028 /nfs/dbraw/zinc/05/80/28/827058028.db2.gz IOLYUAQQUZTBDG-BETUJISGSA-N 2 1 296.371 -0.563 20 0 CBADMP CN(C)C(=O)C[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001266731196 827059292 /nfs/dbraw/zinc/05/92/92/827059292.db2.gz UZIXMVFASNLJJC-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC2CCC([NH2+]CCCO)CC2)C1 ZINC001266908702 827081356 /nfs/dbraw/zinc/08/13/56/827081356.db2.gz ZFINMYDVGKFHCA-RUXDESIVSA-N 2 1 299.415 -0.284 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC2CCC([NH2+]CCCO)CC2)C1 ZINC001266908702 827081363 /nfs/dbraw/zinc/08/13/63/827081363.db2.gz ZFINMYDVGKFHCA-RUXDESIVSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CCO ZINC001266965439 827099073 /nfs/dbraw/zinc/09/90/73/827099073.db2.gz UMNDLFFLXBNCJZ-WOPDTQHZSA-N 2 1 257.378 -0.197 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267006698 827106051 /nfs/dbraw/zinc/10/60/51/827106051.db2.gz QEFXFBKQFRGJGF-WDEREUQCSA-N 2 1 268.361 -0.983 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]CCO)C2)C1 ZINC001267065391 827111814 /nfs/dbraw/zinc/11/18/14/827111814.db2.gz TXYPYZLEXSTGTB-CHWSQXEVSA-N 2 1 269.389 -0.241 20 0 CBADMP CCOCC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001267322915 827148754 /nfs/dbraw/zinc/14/87/54/827148754.db2.gz CXARTJDJEGNALG-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001267322915 827148760 /nfs/dbraw/zinc/14/87/60/827148760.db2.gz CXARTJDJEGNALG-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001267322915 827148765 /nfs/dbraw/zinc/14/87/65/827148765.db2.gz CXARTJDJEGNALG-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001267322915 827148768 /nfs/dbraw/zinc/14/87/68/827148768.db2.gz CXARTJDJEGNALG-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+]1CCC(C(=O)NCC[N@@H+](CCO)C2CC2)CC1 ZINC001267332406 827150869 /nfs/dbraw/zinc/15/08/69/827150869.db2.gz LOXBOJPVQZSIQK-UHFFFAOYSA-N 2 1 269.389 -0.099 20 0 CBADMP CN(CC[NH2+]Cc1cncn1C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267359368 827157359 /nfs/dbraw/zinc/15/73/59/827157359.db2.gz JCYQHTPMPAIPDQ-CYBMUJFWSA-N 2 1 295.387 -0.701 20 0 CBADMP CN(CC[NH2+]Cc1cncn1C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267359368 827157364 /nfs/dbraw/zinc/15/73/64/827157364.db2.gz JCYQHTPMPAIPDQ-CYBMUJFWSA-N 2 1 295.387 -0.701 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)N(C)C ZINC001267379649 827162142 /nfs/dbraw/zinc/16/21/42/827162142.db2.gz BHWHEBQZMSLESX-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](O)C[NH2+]CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001267440744 827171686 /nfs/dbraw/zinc/17/16/86/827171686.db2.gz DPKBRXINODPREE-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]C[C@@H](C)O ZINC001267469435 827175551 /nfs/dbraw/zinc/17/55/51/827175551.db2.gz PXRXIEFSHWVMGE-SNVBAGLBSA-N 2 1 254.334 -0.380 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C2)C1 ZINC001267754129 827216192 /nfs/dbraw/zinc/21/61/92/827216192.db2.gz BJKTUWJAQRQBCS-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCOCCO)C2)C1 ZINC001267754129 827216185 /nfs/dbraw/zinc/21/61/85/827216185.db2.gz BJKTUWJAQRQBCS-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCOCCO)C2)C1 ZINC001267754129 827216186 /nfs/dbraw/zinc/21/61/86/827216186.db2.gz BJKTUWJAQRQBCS-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP CN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001267776610 827217849 /nfs/dbraw/zinc/21/78/49/827217849.db2.gz LPXSMLAHWZPJBA-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267776610 827217854 /nfs/dbraw/zinc/21/78/54/827217854.db2.gz LPXSMLAHWZPJBA-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CCCO ZINC001267997109 827240374 /nfs/dbraw/zinc/24/03/74/827240374.db2.gz AZTSHFDWMOINGI-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CCC2CC2)C1 ZINC001268296324 827281154 /nfs/dbraw/zinc/28/11/54/827281154.db2.gz GOAUALWKQGZGGB-OLZOCXBDSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CCC2CC2)C1 ZINC001268296324 827281163 /nfs/dbraw/zinc/28/11/63/827281163.db2.gz GOAUALWKQGZGGB-OLZOCXBDSA-N 2 1 285.388 -0.816 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]CCF ZINC001268313316 827294085 /nfs/dbraw/zinc/29/40/85/827294085.db2.gz CBQCVVCUGPIQQS-SNVBAGLBSA-N 2 1 258.297 -0.772 20 0 CBADMP COCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268319718 827298550 /nfs/dbraw/zinc/29/85/50/827298550.db2.gz LFQAAAKXYCZZLY-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC=C(C)C)C1 ZINC001268335065 827308279 /nfs/dbraw/zinc/30/82/79/827308279.db2.gz OKRLDTAAXZOOFD-UONOGXRCSA-N 2 1 299.415 -0.260 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC=C(C)C)C1 ZINC001268335065 827308288 /nfs/dbraw/zinc/30/82/88/827308288.db2.gz OKRLDTAAXZOOFD-UONOGXRCSA-N 2 1 299.415 -0.260 20 0 CBADMP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268391063 827321249 /nfs/dbraw/zinc/32/12/49/827321249.db2.gz AQDWOAKMRWNXKI-SRVKXCTJSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(C)[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268518945 827350419 /nfs/dbraw/zinc/35/04/19/827350419.db2.gz AYYYTJBNQVWADO-ZYOFXKKJSA-N 2 1 255.362 -0.013 20 0 CBADMP CC(C)[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268518945 827350431 /nfs/dbraw/zinc/35/04/31/827350431.db2.gz AYYYTJBNQVWADO-ZYOFXKKJSA-N 2 1 255.362 -0.013 20 0 CBADMP CC(C)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268521741 827352831 /nfs/dbraw/zinc/35/28/31/827352831.db2.gz IQNYDVRPPHJDJC-MUBLQREKSA-N 2 1 296.415 -0.133 20 0 CBADMP CC(C)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001268521739 827352880 /nfs/dbraw/zinc/35/28/80/827352880.db2.gz IQNYDVRPPHJDJC-IHVVCDCBSA-N 2 1 296.415 -0.133 20 0 CBADMP COC[C@@H](O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268543685 827361338 /nfs/dbraw/zinc/36/13/38/827361338.db2.gz XRIZNTZJKYKTDC-RVFNEKRJSA-N 2 1 299.415 -0.404 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCO ZINC001268557733 827364521 /nfs/dbraw/zinc/36/45/21/827364521.db2.gz XSUHTUQVZBDFSS-VSQXVHSFSA-N 2 1 255.362 -0.275 20 0 CBADMP COC[C@@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268557390 827364720 /nfs/dbraw/zinc/36/47/20/827364720.db2.gz VCVCZTRGPGDRPB-CTXXGXLOSA-N 2 1 299.415 -0.260 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001268559882 827365757 /nfs/dbraw/zinc/36/57/57/827365757.db2.gz IMAMSQWGGACUCU-OOPCZODUSA-N 2 1 296.415 -0.146 20 0 CBADMP CCN(C)C(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268573166 827367213 /nfs/dbraw/zinc/36/72/13/827367213.db2.gz FGPQQOYEXWBFQB-CFHLNLSMSA-N 2 1 296.415 -0.179 20 0 CBADMP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001268584263 827370759 /nfs/dbraw/zinc/37/07/59/827370759.db2.gz XXVPNBFHXFDAEZ-DFIDTIBPSA-N 2 1 296.415 -0.148 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001268717120 827410212 /nfs/dbraw/zinc/41/02/12/827410212.db2.gz RCHOBWICPSSDNM-VHSXEESVSA-N 2 1 258.366 -0.705 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC(N)=O ZINC001268791510 827422203 /nfs/dbraw/zinc/42/22/03/827422203.db2.gz OEUKAWMBPPKUMY-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001268793942 827423446 /nfs/dbraw/zinc/42/34/46/827423446.db2.gz SXGFEVUOOITJSS-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268946369 827442887 /nfs/dbraw/zinc/44/28/87/827442887.db2.gz NNPIKUUWTQMWFE-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CN(CCC[NH2+]Cc1nncn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268946970 827443223 /nfs/dbraw/zinc/44/32/23/827443223.db2.gz WQKSDHMUDSUBLE-GFCCVEGCSA-N 2 1 294.403 -0.295 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCO)C1CC1 ZINC001269051232 827457282 /nfs/dbraw/zinc/45/72/82/827457282.db2.gz PKTFBBQSGKHXMS-STQMWFEESA-N 2 1 269.389 -0.053 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001269278393 827487767 /nfs/dbraw/zinc/48/77/67/827487767.db2.gz IECCTEAWNIEKRQ-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C[C@H](C)O)CC1 ZINC001269544337 827517969 /nfs/dbraw/zinc/51/79/69/827517969.db2.gz BYKCXOYCVMLPPP-NSHDSACASA-N 2 1 257.378 -0.054 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](CC[NH2+]CCO)C2)C1 ZINC001269712390 827524946 /nfs/dbraw/zinc/52/49/46/827524946.db2.gz PIEDNEQFMUFEMI-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](CC[NH2+]CCO)C2)C1 ZINC001269712390 827524951 /nfs/dbraw/zinc/52/49/51/827524951.db2.gz PIEDNEQFMUFEMI-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+]1CCC2(CN(C(=O)CN3CC[NH+](C)CC3)C2)C1 ZINC001270702602 827589681 /nfs/dbraw/zinc/58/96/81/827589681.db2.gz RAXQKNZNGHHZJP-UHFFFAOYSA-N 2 1 266.389 -0.602 20 0 CBADMP C[N@H+]1CCC2(CN(C(=O)CN3CC[NH+](C)CC3)C2)C1 ZINC001270702602 827589689 /nfs/dbraw/zinc/58/96/89/827589689.db2.gz RAXQKNZNGHHZJP-UHFFFAOYSA-N 2 1 266.389 -0.602 20 0 CBADMP C[NH+]1CC2(C1)CCCN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001270702544 827589702 /nfs/dbraw/zinc/58/97/02/827589702.db2.gz PCTKOIJXCZNECH-UHFFFAOYSA-N 2 1 280.416 -0.212 20 0 CBADMP C[C@H](C[NH2+]CCO)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001271172136 827672676 /nfs/dbraw/zinc/67/26/76/827672676.db2.gz WZFAZVGVVZXJFI-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CCOCC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001271185402 827675101 /nfs/dbraw/zinc/67/51/01/827675101.db2.gz YDVXRSJLWKUSOF-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001271221650 827678131 /nfs/dbraw/zinc/67/81/31/827678131.db2.gz YVTHBCQHAHQEJC-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001271221650 827678138 /nfs/dbraw/zinc/67/81/38/827678138.db2.gz YVTHBCQHAHQEJC-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001271221650 827678145 /nfs/dbraw/zinc/67/81/45/827678145.db2.gz YVTHBCQHAHQEJC-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271222639 827678592 /nfs/dbraw/zinc/67/85/92/827678592.db2.gz CDOBLDRDTLRSIN-MELADBBJSA-N 2 1 280.416 -0.215 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001271879797 827732871 /nfs/dbraw/zinc/73/28/71/827732871.db2.gz CDBGRJZEVLQQDO-BETUJISGSA-N 2 1 269.389 -0.289 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)C[NH2+]CCF ZINC001272444553 827798752 /nfs/dbraw/zinc/79/87/52/827798752.db2.gz VXQJGMZRDUAJJM-VXGBXAGGSA-N 2 1 275.368 -0.103 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1)C1CCC1 ZINC001272457479 827801904 /nfs/dbraw/zinc/80/19/04/827801904.db2.gz QOMBMKAHWYRBFI-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272535199 827814886 /nfs/dbraw/zinc/81/48/86/827814886.db2.gz VWTZJAVEKHILFR-HNNXBMFYSA-N 2 1 296.415 -0.439 20 0 CBADMP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](O)C1)C2 ZINC001273069598 827860590 /nfs/dbraw/zinc/86/05/90/827860590.db2.gz LEWGVWKRKMEWGE-UKRRQHHQSA-N 2 1 281.400 -0.003 20 0 CBADMP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](O)C1)C2 ZINC001273069598 827860602 /nfs/dbraw/zinc/86/06/02/827860602.db2.gz LEWGVWKRKMEWGE-UKRRQHHQSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001273069598 827860611 /nfs/dbraw/zinc/86/06/11/827860611.db2.gz LEWGVWKRKMEWGE-UKRRQHHQSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001273069598 827860627 /nfs/dbraw/zinc/86/06/27/827860627.db2.gz LEWGVWKRKMEWGE-UKRRQHHQSA-N 2 1 281.400 -0.003 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC001273085290 827863632 /nfs/dbraw/zinc/86/36/32/827863632.db2.gz NEXRVPYNZGDXTE-RWMBFGLXSA-N 2 1 295.383 -0.356 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC001273085290 827863641 /nfs/dbraw/zinc/86/36/41/827863641.db2.gz NEXRVPYNZGDXTE-RWMBFGLXSA-N 2 1 295.383 -0.356 20 0 CBADMP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC001273085290 827863649 /nfs/dbraw/zinc/86/36/49/827863649.db2.gz NEXRVPYNZGDXTE-RWMBFGLXSA-N 2 1 295.383 -0.356 20 0 CBADMP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC001273085290 827863660 /nfs/dbraw/zinc/86/36/60/827863660.db2.gz NEXRVPYNZGDXTE-RWMBFGLXSA-N 2 1 295.383 -0.356 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001273201325 827872752 /nfs/dbraw/zinc/87/27/52/827872752.db2.gz LKCHQUMPKFZIIT-VXGBXAGGSA-N 2 1 269.389 -0.053 20 0 CBADMP CCN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001273298128 827886910 /nfs/dbraw/zinc/88/69/10/827886910.db2.gz JDAIEBNBZHKDEF-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C[NH+]3CCC3)C[C@H]21 ZINC001273366329 827894656 /nfs/dbraw/zinc/89/46/56/827894656.db2.gz BVJIURLRSGGCIO-KGLIPLIRSA-N 2 1 296.415 -0.835 20 0 CBADMP COCCC[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273475758 827902016 /nfs/dbraw/zinc/90/20/16/827902016.db2.gz ZAINMVYYCCCWBK-HNNXBMFYSA-N 2 1 299.415 -0.112 20 0 CBADMP C[C@@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274046480 827956346 /nfs/dbraw/zinc/95/63/46/827956346.db2.gz FDUJSHMINAAQGR-UKRRQHHQSA-N 2 1 299.415 -0.520 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274045827 827956569 /nfs/dbraw/zinc/95/65/69/827956569.db2.gz ABUICSFZDHGUBH-DOMZBBRYSA-N 2 1 297.399 -0.230 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274047912 827958066 /nfs/dbraw/zinc/95/80/66/827958066.db2.gz VNFSWHPOMZBZRE-OCCSQVGLSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC(N)=O ZINC001274062515 827963582 /nfs/dbraw/zinc/96/35/82/827963582.db2.gz RVVGDMZPTCUDDK-CQSZACIVSA-N 2 1 282.388 -0.510 20 0 CBADMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC(N)=O ZINC001274062515 827963584 /nfs/dbraw/zinc/96/35/84/827963584.db2.gz RVVGDMZPTCUDDK-CQSZACIVSA-N 2 1 282.388 -0.510 20 0 CBADMP CCNC(=O)C[NH2+]C/C=C/CNC(=O)Cn1c[nH+]cc1C ZINC001274202298 827974221 /nfs/dbraw/zinc/97/42/21/827974221.db2.gz NIOHNMBCGWIRAY-SNAWJCMRSA-N 2 1 293.371 -0.410 20 0 CBADMP CNC(=O)C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001274369001 827987091 /nfs/dbraw/zinc/98/70/91/827987091.db2.gz OWCZHYSMPORXQM-SREVYHEPSA-N 2 1 298.431 -0.028 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CCCO)C1 ZINC001274579172 828003815 /nfs/dbraw/zinc/00/38/15/828003815.db2.gz RIUITQDCPPVVOR-QAVQXKDTSA-N 2 1 255.362 -0.418 20 0 CBADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](CC(C)(C)O)C2)OCC1=O ZINC001274593189 828007339 /nfs/dbraw/zinc/00/73/39/828007339.db2.gz JVYYIBQHURBEDE-HNNXBMFYSA-N 2 1 299.415 -0.378 20 0 CBADMP CCC[C@H](O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274634164 828014731 /nfs/dbraw/zinc/01/47/31/828014731.db2.gz DZFYQEQBDLZDJW-ZDUSSCGKSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H](C[NH2+]C[C@H](C)O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001274888198 828039038 /nfs/dbraw/zinc/03/90/38/828039038.db2.gz JTJZBZPDNBCFSD-WOPDTQHZSA-N 2 1 257.378 -0.054 20 0 CBADMP C[C@H](C[NH2+]CCn1cncn1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001274888144 828039237 /nfs/dbraw/zinc/03/92/37/828039237.db2.gz JENKGEVAQIKMEZ-OLZOCXBDSA-N 2 1 294.403 -0.143 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC ZINC001274996230 828049614 /nfs/dbraw/zinc/04/96/14/828049614.db2.gz YKKICCVEYDHPMC-SNVBAGLBSA-N 2 1 258.366 -0.832 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001275172826 828062043 /nfs/dbraw/zinc/06/20/43/828062043.db2.gz WLDZMQGHMHBXCQ-ZNMIVQPWSA-N 2 1 283.416 -0.031 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H](C1)O2 ZINC001275172787 828062760 /nfs/dbraw/zinc/06/27/60/828062760.db2.gz VRCBHELQPWJXOO-KFWWJZLASA-N 2 1 283.416 -0.031 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001275706139 828108600 /nfs/dbraw/zinc/10/86/00/828108600.db2.gz DFJJCFPZEJQLGL-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001275706139 828108603 /nfs/dbraw/zinc/10/86/03/828108603.db2.gz DFJJCFPZEJQLGL-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC(N)=O ZINC001275706139 828108607 /nfs/dbraw/zinc/10/86/07/828108607.db2.gz DFJJCFPZEJQLGL-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O ZINC001275706139 828108609 /nfs/dbraw/zinc/10/86/09/828108609.db2.gz DFJJCFPZEJQLGL-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP C[C@H](C[N@@H+](C)CCO)NC(=O)C12CC[NH+](CC1)C2 ZINC001275698370 828108737 /nfs/dbraw/zinc/10/87/37/828108737.db2.gz QLZPPQMRROHFQM-LLVKDONJSA-N 2 1 255.362 -0.489 20 0 CBADMP CCCC[C@@H](C[NH2+]CCO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001276249676 828139344 /nfs/dbraw/zinc/13/93/44/828139344.db2.gz GXCCFOHIVJLUJH-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP CCCC[C@@H](C[NH2+]CCO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001276249676 828139347 /nfs/dbraw/zinc/13/93/47/828139347.db2.gz GXCCFOHIVJLUJH-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001276379687 828142860 /nfs/dbraw/zinc/14/28/60/828142860.db2.gz OZLAUHHHNQFHAA-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(CC[NH+](C)C)[C@@H]2C1 ZINC001276463389 828146747 /nfs/dbraw/zinc/14/67/47/828146747.db2.gz MPAKRDRWXDRJJL-QWHCGFSZSA-N 2 1 268.405 -0.358 20 0 CBADMP COC(=O)[C@H](C)C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276524215 828148196 /nfs/dbraw/zinc/14/81/96/828148196.db2.gz YXINRDKMNKHGHO-RDBSUJKOSA-N 2 1 299.415 -0.258 20 0 CBADMP COC(=O)[C@@H](C)C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276524212 828148346 /nfs/dbraw/zinc/14/83/46/828148346.db2.gz YXINRDKMNKHGHO-IHRRRGAJSA-N 2 1 299.415 -0.258 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001276642611 828153693 /nfs/dbraw/zinc/15/36/93/828153693.db2.gz QJLIERVXXITBNN-GHMZBOCLSA-N 2 1 268.361 -0.950 20 0 CBADMP COC(C[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C)OC ZINC001276645225 828154224 /nfs/dbraw/zinc/15/42/24/828154224.db2.gz ZIKRSICGJVAMIW-BETUJISGSA-N 2 1 287.404 -0.448 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCCO)[NH+](C)C ZINC001276956925 828168545 /nfs/dbraw/zinc/16/85/45/828168545.db2.gz PRNNXRNYSRITGW-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1CCCO)[NH+](C)C ZINC001276956925 828168546 /nfs/dbraw/zinc/16/85/46/828168546.db2.gz PRNNXRNYSRITGW-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](O)CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001277028227 828173093 /nfs/dbraw/zinc/17/30/93/828173093.db2.gz QEXYLSXYCNUDCO-OLZOCXBDSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@@H](O)CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001277028227 828173095 /nfs/dbraw/zinc/17/30/95/828173095.db2.gz QEXYLSXYCNUDCO-OLZOCXBDSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001277299119 828181652 /nfs/dbraw/zinc/18/16/52/828181652.db2.gz MJNACKCGTNLZPG-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC(=O)N1CC[NH+](C)CC1 ZINC001277631304 828199440 /nfs/dbraw/zinc/19/94/40/828199440.db2.gz FFDOBZCCTICNEF-STQMWFEESA-N 2 1 266.389 -0.461 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H]1CCN2CC(=O)N1CC[NH+](C)CC1 ZINC001277631304 828199442 /nfs/dbraw/zinc/19/94/42/828199442.db2.gz FFDOBZCCTICNEF-STQMWFEESA-N 2 1 266.389 -0.461 20 0 CBADMP CC(=O)NCC[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277910833 828217851 /nfs/dbraw/zinc/21/78/51/828217851.db2.gz XIZKLJQKISHBHK-UONOGXRCSA-N 2 1 268.405 -0.310 20 0 CBADMP CC(=O)NCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001277905746 828218134 /nfs/dbraw/zinc/21/81/34/828218134.db2.gz JSTAPHOAXFQZRI-CHWSQXEVSA-N 2 1 294.399 -0.735 20 0 CBADMP C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001277960075 828222094 /nfs/dbraw/zinc/22/20/94/828222094.db2.gz YXRMUNKYJCAQOP-SRVKXCTJSA-N 2 1 267.373 -0.491 20 0 CBADMP C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001277960074 828222724 /nfs/dbraw/zinc/22/27/24/828222724.db2.gz YXRMUNKYJCAQOP-QJPTWQEYSA-N 2 1 267.373 -0.491 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCOCCO)C1 ZINC001277997813 828228620 /nfs/dbraw/zinc/22/86/20/828228620.db2.gz UEZWZCGDMJVBRL-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCOCCO)C1 ZINC001277997816 828228708 /nfs/dbraw/zinc/22/87/08/828228708.db2.gz UEZWZCGDMJVBRL-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H](CO)C[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277999087 828229345 /nfs/dbraw/zinc/22/93/45/828229345.db2.gz YYADCHWPYDXBFD-MELADBBJSA-N 2 1 271.405 -0.439 20 0 CBADMP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)CC1 ZINC001278020896 828232149 /nfs/dbraw/zinc/23/21/49/828232149.db2.gz GRWSTLNFDWOXMG-WDEREUQCSA-N 2 1 280.372 -0.110 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001278031894 828232741 /nfs/dbraw/zinc/23/27/41/828232741.db2.gz AFXFMYNHLRGWAS-AGIUHOORSA-N 2 1 284.404 -0.803 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001278031894 828232743 /nfs/dbraw/zinc/23/27/43/828232743.db2.gz AFXFMYNHLRGWAS-AGIUHOORSA-N 2 1 284.404 -0.803 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001278032578 828232939 /nfs/dbraw/zinc/23/29/39/828232939.db2.gz SWIUAYYCUUFJRS-FRRDWIJNSA-N 2 1 268.405 -0.040 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001278032578 828232946 /nfs/dbraw/zinc/23/29/46/828232946.db2.gz SWIUAYYCUUFJRS-FRRDWIJNSA-N 2 1 268.405 -0.040 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001278031897 828233624 /nfs/dbraw/zinc/23/36/24/828233624.db2.gz AFXFMYNHLRGWAS-XQQFMLRXSA-N 2 1 284.404 -0.803 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001278031897 828233628 /nfs/dbraw/zinc/23/36/28/828233628.db2.gz AFXFMYNHLRGWAS-XQQFMLRXSA-N 2 1 284.404 -0.803 20 0 CBADMP CC[N@@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001278159612 828254192 /nfs/dbraw/zinc/25/41/92/828254192.db2.gz RXEYWYGERYSFOJ-NWDGAFQWSA-N 2 1 280.372 -0.097 20 0 CBADMP COCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001278302561 828264044 /nfs/dbraw/zinc/26/40/44/828264044.db2.gz ZXRIGJNMJWPRLO-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278766721 828285676 /nfs/dbraw/zinc/28/56/76/828285676.db2.gz MJNICGMCVOKHTG-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP COCCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001278766721 828285678 /nfs/dbraw/zinc/28/56/78/828285678.db2.gz MJNICGMCVOKHTG-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP COCCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001278766721 828285686 /nfs/dbraw/zinc/28/56/86/828285686.db2.gz MJNICGMCVOKHTG-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[NH+]1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001278899549 828307541 /nfs/dbraw/zinc/30/75/41/828307541.db2.gz FVNZSMGFOUWMMJ-UHFFFAOYSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001279509661 828328098 /nfs/dbraw/zinc/32/80/98/828328098.db2.gz LYGAPEHXPJKBIP-ZDUSSCGKSA-N 2 1 257.378 -0.099 20 0 CBADMP C[NH+](C)CCC(=O)NCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001349549418 890836640 /nfs/dbraw/zinc/83/66/40/890836640.db2.gz ABRMSDBBOHGQHD-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176564086 884704381 /nfs/dbraw/zinc/70/43/81/884704381.db2.gz LCWOURBHWRVETD-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP [NH3+][C@H](CC(F)F)C(=O)NCC[N@@H+]1CCCOCC1 ZINC001326037229 884883196 /nfs/dbraw/zinc/88/31/96/884883196.db2.gz FJSOLAPINNFDPK-SECBINFHSA-N 2 1 265.304 -0.193 20 0 CBADMP [NH3+][C@H](CC(F)F)C(=O)NCC[N@H+]1CCCOCC1 ZINC001326037229 884883209 /nfs/dbraw/zinc/88/32/09/884883209.db2.gz FJSOLAPINNFDPK-SECBINFHSA-N 2 1 265.304 -0.193 20 0 CBADMP C[NH2+][C@@H](C(=O)NCC[C@H](C)[NH2+]C)c1cnn(C)c1 ZINC001326292067 884973139 /nfs/dbraw/zinc/97/31/39/884973139.db2.gz MVAAAMOSXONIGB-GXSJLCMTSA-N 2 1 253.350 -0.205 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001326959892 885204411 /nfs/dbraw/zinc/20/44/11/885204411.db2.gz YWHCPCYTEGRORR-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP OC[C@@H]1CCC[N@@H+]1Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001327786264 885477322 /nfs/dbraw/zinc/47/73/22/885477322.db2.gz RCQGGXIFDIBAOP-RYUDHWBXSA-N 2 1 251.334 -0.231 20 0 CBADMP OC[C@@H]1CCC[N@H+]1Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001327786264 885477329 /nfs/dbraw/zinc/47/73/29/885477329.db2.gz RCQGGXIFDIBAOP-RYUDHWBXSA-N 2 1 251.334 -0.231 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CC1([NH3+])CC1 ZINC001327926798 885531765 /nfs/dbraw/zinc/53/17/65/885531765.db2.gz CFXLATFAVWMIKY-NSHDSACASA-N 2 1 254.378 -0.380 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)C[NH2+]C2CC2)CC1 ZINC001329251880 885982027 /nfs/dbraw/zinc/98/20/27/885982027.db2.gz FBIFPEPVNCXKNJ-UHFFFAOYSA-N 2 1 268.405 -0.118 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC001329429079 886061821 /nfs/dbraw/zinc/06/18/21/886061821.db2.gz YOFFLTMRUBWRMM-RYUDHWBXSA-N 2 1 254.378 -0.536 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC001330859104 886598653 /nfs/dbraw/zinc/59/86/53/886598653.db2.gz BCVSOJBTXDUQGO-QWRGUYRKSA-N 2 1 282.388 -0.394 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC001331168071 886708478 /nfs/dbraw/zinc/70/84/78/886708478.db2.gz ZKEROQYBFUAJJO-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)=CC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001331687031 886909526 /nfs/dbraw/zinc/90/95/26/886909526.db2.gz YKPYEDUWHNFKOF-QWHCGFSZSA-N 2 1 285.388 -0.650 20 0 CBADMP CC(C)=CC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001331687031 886909536 /nfs/dbraw/zinc/90/95/36/886909536.db2.gz YKPYEDUWHNFKOF-QWHCGFSZSA-N 2 1 285.388 -0.650 20 0 CBADMP C[NH2+][C@@H](C(=O)NC1CC[NH2+]CC1)c1cnn(C)c1 ZINC001332393887 887256948 /nfs/dbraw/zinc/25/69/48/887256948.db2.gz PKTGIIIECAUSQQ-LLVKDONJSA-N 2 1 251.334 -0.451 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](CO)C2)CC1 ZINC001333018825 887503194 /nfs/dbraw/zinc/50/31/94/887503194.db2.gz HARQQJQPUSQNQE-LLVKDONJSA-N 2 1 255.362 -0.489 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)Cn1cc(COCC[NH3+])nn1 ZINC001333125515 887537726 /nfs/dbraw/zinc/53/77/26/887537726.db2.gz PKFGIDSTZYVIQW-LBPRGKRZSA-N 2 1 271.365 -0.546 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC001334231425 887898235 /nfs/dbraw/zinc/89/82/35/887898235.db2.gz SZEMSQIONJKPRD-AXFHLTTASA-N 2 1 256.350 -0.911 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001334231006 887899257 /nfs/dbraw/zinc/89/92/57/887899257.db2.gz POCMEGZNWZNXIM-UMNHJUIQSA-N 2 1 256.350 -0.911 20 0 CBADMP CC(C)(C)[NH2+]CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001335330849 888503520 /nfs/dbraw/zinc/50/35/20/888503520.db2.gz YOBHAHHKQPDQNO-NSHDSACASA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC1([NH3+])CC1 ZINC001335678703 888602037 /nfs/dbraw/zinc/60/20/37/888602037.db2.gz NXFKRGRRZGGRGA-JTQLQIEISA-N 2 1 256.350 -0.814 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC1([NH3+])CC1 ZINC001335678703 888602041 /nfs/dbraw/zinc/60/20/41/888602041.db2.gz NXFKRGRRZGGRGA-JTQLQIEISA-N 2 1 256.350 -0.814 20 0 CBADMP O[C@@H]1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H]1O ZINC001336279038 888734593 /nfs/dbraw/zinc/73/45/93/888734593.db2.gz YXEIHHRUGXQMMY-NDBYEHHHSA-N 2 1 256.346 -0.818 20 0 CBADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](O)C[NH3+] ZINC001340753034 889478977 /nfs/dbraw/zinc/47/89/77/889478977.db2.gz DIVUCHSDSJMOTC-ZJUUUORDSA-N 2 1 254.334 -0.168 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001340854259 889498565 /nfs/dbraw/zinc/49/85/65/889498565.db2.gz PYUNLROBVJKQBL-FVCCEPFGSA-N 2 1 267.373 -0.321 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001341115471 889544500 /nfs/dbraw/zinc/54/45/00/889544500.db2.gz GKEZHPYKWJSMDA-WCQYABFASA-N 2 1 255.362 -0.217 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001341471417 889604184 /nfs/dbraw/zinc/60/41/84/889604184.db2.gz CRAGKZSWQNDMOJ-OUCADQQQSA-N 2 1 268.405 -0.325 20 0 CBADMP CN(CCOCC[NH3+])C(=O)[C@H]1[NH2+]CCc2occc21 ZINC001341472921 889604992 /nfs/dbraw/zinc/60/49/92/889604992.db2.gz PFTRILYFJDBOAD-LBPRGKRZSA-N 2 1 267.329 -0.100 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001341526983 889615386 /nfs/dbraw/zinc/61/53/86/889615386.db2.gz SSQXFEYAWBRFCB-GFCCVEGCSA-N 2 1 254.334 -0.678 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001341571525 889623177 /nfs/dbraw/zinc/62/31/77/889623177.db2.gz PTJMNYAWHDDDFR-WDEREUQCSA-N 2 1 257.378 -0.115 20 0 CBADMP C[NH+]1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC001341633662 889638125 /nfs/dbraw/zinc/63/81/25/889638125.db2.gz HNDYSIXGJDFVPE-CYBMUJFWSA-N 2 1 266.345 -0.341 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001341663206 889642641 /nfs/dbraw/zinc/64/26/41/889642641.db2.gz QDJJHQUUQPVYQI-LOWVWBTDSA-N 2 1 269.389 -0.197 20 0 CBADMP C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@@H](O)C[NH2+]1 ZINC001341695508 889648348 /nfs/dbraw/zinc/64/83/48/889648348.db2.gz GNLJTKJRGXCSAH-YRGRVCCFSA-N 2 1 267.373 -0.300 20 0 CBADMP C[C@@H](CNC(=O)[C@H]([NH3+])CO)[N@@H+](C)Cc1ccccc1 ZINC001341701358 889652895 /nfs/dbraw/zinc/65/28/95/889652895.db2.gz POEBINAEEZNYOS-WCQYABFASA-N 2 1 265.357 -0.057 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC001341712073 889652962 /nfs/dbraw/zinc/65/29/62/889652962.db2.gz NNGPSWXOIGCNPV-GHMZBOCLSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC001341712073 889652969 /nfs/dbraw/zinc/65/29/69/889652969.db2.gz NNGPSWXOIGCNPV-GHMZBOCLSA-N 2 1 255.362 -0.097 20 0 CBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001443688699 912256747 /nfs/dbraw/zinc/25/67/47/912256747.db2.gz PKNBBYAWMCXTGV-IHRRRGAJSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001443735799 912270143 /nfs/dbraw/zinc/27/01/43/912270143.db2.gz BFOGRMTZRGYGEZ-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001443735799 912270161 /nfs/dbraw/zinc/27/01/61/912270161.db2.gz BFOGRMTZRGYGEZ-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001443735799 912270178 /nfs/dbraw/zinc/27/01/78/912270178.db2.gz BFOGRMTZRGYGEZ-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001443735799 912270194 /nfs/dbraw/zinc/27/01/94/912270194.db2.gz BFOGRMTZRGYGEZ-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001443766014 912274710 /nfs/dbraw/zinc/27/47/10/912274710.db2.gz NQAMYNYGPAZMKJ-VXGBXAGGSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001443766014 912274727 /nfs/dbraw/zinc/27/47/27/912274727.db2.gz NQAMYNYGPAZMKJ-VXGBXAGGSA-N 2 1 294.399 -0.593 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001443834748 912282406 /nfs/dbraw/zinc/28/24/06/912282406.db2.gz AJUWDGFGFDPEQV-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001443834748 912282422 /nfs/dbraw/zinc/28/24/22/912282422.db2.gz AJUWDGFGFDPEQV-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001443834748 912282438 /nfs/dbraw/zinc/28/24/38/912282438.db2.gz AJUWDGFGFDPEQV-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001443834748 912282457 /nfs/dbraw/zinc/28/24/57/912282457.db2.gz AJUWDGFGFDPEQV-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001342176729 889725128 /nfs/dbraw/zinc/72/51/28/889725128.db2.gz URAZDRADWKENAI-NOOOWODRSA-N 2 1 253.346 -0.548 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001443853604 912289966 /nfs/dbraw/zinc/28/99/66/912289966.db2.gz XXWOSQGNUKRWHH-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001443853604 912289983 /nfs/dbraw/zinc/28/99/83/912289983.db2.gz XXWOSQGNUKRWHH-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001443853604 912290006 /nfs/dbraw/zinc/29/00/06/912290006.db2.gz XXWOSQGNUKRWHH-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001443853604 912290021 /nfs/dbraw/zinc/29/00/21/912290021.db2.gz XXWOSQGNUKRWHH-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H]3C[NH2+]CCO3)[C@H]2C1 ZINC001342816831 889831933 /nfs/dbraw/zinc/83/19/33/889831933.db2.gz QGLAOGLRPZUICZ-YFKTTZPYSA-N 2 1 253.346 -0.569 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC001342816830 889832772 /nfs/dbraw/zinc/83/27/72/889832772.db2.gz QGLAOGLRPZUICZ-USZNOCQGSA-N 2 1 253.346 -0.569 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001343371674 889897389 /nfs/dbraw/zinc/89/73/89/889897389.db2.gz KVRRMFIYYYAUPC-YPMHNXCESA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001343394437 889899370 /nfs/dbraw/zinc/89/93/70/889899370.db2.gz ZEMBQFDNPNOUBB-WCQYABFASA-N 2 1 255.362 -0.441 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001343474316 889915666 /nfs/dbraw/zinc/91/56/66/889915666.db2.gz VGAGYAFVZJWHRT-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC001343592692 889938353 /nfs/dbraw/zinc/93/83/53/889938353.db2.gz QGLAOGLRPZUICZ-WHOHXGKFSA-N 2 1 253.346 -0.569 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C[NH2+]CC(N)=O ZINC001444377285 912438546 /nfs/dbraw/zinc/43/85/46/912438546.db2.gz OZUZHSVNRSCUNF-WDEREUQCSA-N 2 1 270.377 -0.845 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C[NH2+]CC(N)=O ZINC001444377284 912439641 /nfs/dbraw/zinc/43/96/41/912439641.db2.gz OZUZHSVNRSCUNF-QWRGUYRKSA-N 2 1 270.377 -0.845 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001444409062 912443396 /nfs/dbraw/zinc/44/33/96/912443396.db2.gz OGXCHVNXBLFYRV-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001444409066 912444442 /nfs/dbraw/zinc/44/44/42/912444442.db2.gz OGXCHVNXBLFYRV-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCCO)CCO1 ZINC001444465457 912458653 /nfs/dbraw/zinc/45/86/53/912458653.db2.gz IIMJCYQYORHLRN-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCCO)CCO1 ZINC001444465457 912458663 /nfs/dbraw/zinc/45/86/63/912458663.db2.gz IIMJCYQYORHLRN-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001444465457 912458669 /nfs/dbraw/zinc/45/86/69/912458669.db2.gz IIMJCYQYORHLRN-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001444465457 912458678 /nfs/dbraw/zinc/45/86/78/912458678.db2.gz IIMJCYQYORHLRN-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@H]1[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@H+]1C ZINC001344876494 890078636 /nfs/dbraw/zinc/07/86/36/890078636.db2.gz GERFNURHPZMPRT-KQXIARHKSA-N 2 1 253.346 -0.569 20 0 CBADMP C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)[C@H]1CCO ZINC001347144812 890415297 /nfs/dbraw/zinc/41/52/97/890415297.db2.gz BJUPCLCWTJLGBC-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001445501039 912680518 /nfs/dbraw/zinc/68/05/18/912680518.db2.gz IXGUOAJBTLZWQZ-KOLCDFICSA-N 2 1 279.344 -0.826 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001445500121 912680623 /nfs/dbraw/zinc/68/06/23/912680623.db2.gz IHYNNYJXPRENLC-ZYHUDNBSSA-N 2 1 293.371 -0.436 20 0 CBADMP CC[C@H]([NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001445578802 912706297 /nfs/dbraw/zinc/70/62/97/912706297.db2.gz SVTTUJKHYCXGGO-ONGXEEELSA-N 2 1 281.360 -0.450 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001445650253 912723061 /nfs/dbraw/zinc/72/30/61/912723061.db2.gz UBIBVDAKMZBDIQ-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091100319 884648570 /nfs/dbraw/zinc/64/85/70/884648570.db2.gz PQTGOENBHYRSRP-MCIGGMRASA-N 2 1 282.388 -0.560 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001152426013 884675546 /nfs/dbraw/zinc/67/55/46/884675546.db2.gz BDNBCLMHQPFKJW-UHFFFAOYSA-N 2 1 268.365 -0.639 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001152426013 884675560 /nfs/dbraw/zinc/67/55/60/884675560.db2.gz BDNBCLMHQPFKJW-UHFFFAOYSA-N 2 1 268.365 -0.639 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001446255351 912852134 /nfs/dbraw/zinc/85/21/34/912852134.db2.gz CWRLRRLFIIANRA-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001188158696 884720632 /nfs/dbraw/zinc/72/06/32/884720632.db2.gz VDGBOBVIDWPAJF-CHWSQXEVSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001188158333 884721540 /nfs/dbraw/zinc/72/15/40/884721540.db2.gz LLSJEPZSXQCXSK-NWDGAFQWSA-N 2 1 257.378 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001446280317 912855751 /nfs/dbraw/zinc/85/57/51/912855751.db2.gz WONHLYFBUIMWEE-WDEREUQCSA-N 2 1 282.388 -0.689 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416552 884776230 /nfs/dbraw/zinc/77/62/30/884776230.db2.gz PKMAHYLJMJLIAO-MRVWCRGKSA-N 2 1 299.415 -0.333 20 0 CBADMP CO[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212416552 884776250 /nfs/dbraw/zinc/77/62/50/884776250.db2.gz PKMAHYLJMJLIAO-MRVWCRGKSA-N 2 1 299.415 -0.333 20 0 CBADMP CO[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212416552 884776267 /nfs/dbraw/zinc/77/62/67/884776267.db2.gz PKMAHYLJMJLIAO-MRVWCRGKSA-N 2 1 299.415 -0.333 20 0 CBADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219796231 884792310 /nfs/dbraw/zinc/79/23/10/884792310.db2.gz RVITUIIOHWSZEO-FICVDOATSA-N 2 1 292.427 -0.216 20 0 CBADMP [NH3+]C1(C(=O)NC2CCN(C3CC[NH2+]CC3)CC2)CC1 ZINC001219794196 884792458 /nfs/dbraw/zinc/79/24/58/884792458.db2.gz UBYSXKGQOSDRII-UHFFFAOYSA-N 2 1 266.389 -0.190 20 0 CBADMP C[C@H](O)C[NH2+]CCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001326135630 884918549 /nfs/dbraw/zinc/91/85/49/884918549.db2.gz XZBMZDOXGINPND-STQMWFEESA-N 2 1 287.404 -0.881 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N(CCO)CC[NH2+]CCO ZINC001326149245 884923025 /nfs/dbraw/zinc/92/30/25/884923025.db2.gz UPRZCZUMLVUJLX-ZDUSSCGKSA-N 2 1 287.404 -0.736 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001326297574 884975197 /nfs/dbraw/zinc/97/51/97/884975197.db2.gz CJOXACQBDZZSRU-ZDUSSCGKSA-N 2 1 270.421 -0.014 20 0 CBADMP C[C@@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC[C@H]1[NH3+] ZINC001326370400 885008172 /nfs/dbraw/zinc/00/81/72/885008172.db2.gz VHTLMTVTTHMTBR-PSASIEDQSA-N 2 1 263.345 -0.135 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001446458694 912889650 /nfs/dbraw/zinc/88/96/50/912889650.db2.gz GDYDTDDHLJZBMF-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH2+]C1CCN(C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC001326503286 885049273 /nfs/dbraw/zinc/04/92/73/885049273.db2.gz QXQCUSMNNOMTEH-GFCCVEGCSA-N 2 1 268.405 -0.133 20 0 CBADMP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCC[NH2+]CC1 ZINC001326568208 885067357 /nfs/dbraw/zinc/06/73/57/885067357.db2.gz WYUAAOFRHIWYTO-JTQLQIEISA-N 2 1 263.345 -0.078 20 0 CBADMP CC(C)(C)C[N@@H+](CCO)CC(=O)N1CC[NH2+]CC1 ZINC001326583045 885073703 /nfs/dbraw/zinc/07/37/03/885073703.db2.gz BKCDEOCNKNTCJT-UHFFFAOYSA-N 2 1 257.378 -0.241 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)N1CC[NH+](C)CC1 ZINC001326582827 885074652 /nfs/dbraw/zinc/07/46/52/885074652.db2.gz SIMKKEJSFSOWAU-UPJWGTAASA-N 2 1 268.405 -0.182 20 0 CBADMP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1 ZINC001326596796 885082970 /nfs/dbraw/zinc/08/29/70/885082970.db2.gz NWCRZZFUWUEBDI-GOEBONIOSA-N 3 1 296.459 -0.165 20 0 CBADMP C[C@H]([NH2+]C[C@@H](O)CN1CCN(C)CC1)C1=CC[N@H+](C)CC1 ZINC001326596796 885082983 /nfs/dbraw/zinc/08/29/83/885082983.db2.gz NWCRZZFUWUEBDI-GOEBONIOSA-N 2 1 296.459 -0.165 20 0 CBADMP C[C@H]([NH2+]C[C@@H](O)CN1CCN(C)CC1)C1=CC[N@@H+](C)CC1 ZINC001326596796 885082993 /nfs/dbraw/zinc/08/29/93/885082993.db2.gz NWCRZZFUWUEBDI-GOEBONIOSA-N 2 1 296.459 -0.165 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001326800758 885154387 /nfs/dbraw/zinc/15/43/87/885154387.db2.gz OYKOIDPBTZSRGV-SMDDNHRTSA-N 2 1 269.389 -0.053 20 0 CBADMP O=C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)N1CC[NH2+]CC1 ZINC001327087281 885252867 /nfs/dbraw/zinc/25/28/67/885252867.db2.gz LNVABCDZQSAFRN-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001446601844 912915547 /nfs/dbraw/zinc/91/55/47/912915547.db2.gz GAOOQTGDRUGPKO-AWEZNQCLSA-N 2 1 293.371 -0.495 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001446601854 912916570 /nfs/dbraw/zinc/91/65/70/912916570.db2.gz GAOOQTGDRUGPKO-CQSZACIVSA-N 2 1 293.371 -0.495 20 0 CBADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC001327230360 885294885 /nfs/dbraw/zinc/29/48/85/885294885.db2.gz HOWLOGPGTADDMR-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001327501402 885378469 /nfs/dbraw/zinc/37/84/69/885378469.db2.gz XKKJBAJSINLAOG-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001327522038 885389183 /nfs/dbraw/zinc/38/91/83/885389183.db2.gz YTDHRVPEZXBYDC-GRYCIOLGSA-N 2 1 296.415 -0.158 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C[C@H]3C[NH2+]CCO3)CC2)C1 ZINC001327562203 885408215 /nfs/dbraw/zinc/40/82/15/885408215.db2.gz JXFBYLVKPPUMJK-LSDHHAIUSA-N 2 1 282.432 -0.313 20 0 CBADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001327564063 885408472 /nfs/dbraw/zinc/40/84/72/885408472.db2.gz WESZHRXQGUSANW-KBPBESRZSA-N 3 1 280.416 -0.513 20 0 CBADMP C([C@H]1CCC2(C[NH2+]C2)O1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001327564065 885408573 /nfs/dbraw/zinc/40/85/73/885408573.db2.gz WESZHRXQGUSANW-UONOGXRCSA-N 3 1 280.416 -0.513 20 0 CBADMP C[C@@]12COC[C@H]1C[N@@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001327560823 885408932 /nfs/dbraw/zinc/40/89/32/885408932.db2.gz AFDTYKKKARXVGF-DGCLKSJQSA-N 2 1 253.346 -0.614 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]CCCO)C1 ZINC001327581379 885413750 /nfs/dbraw/zinc/41/37/50/885413750.db2.gz PATINACOKDLARH-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccnn1 ZINC001327771948 885471767 /nfs/dbraw/zinc/47/17/67/885471767.db2.gz FSYVPPPLZAYVQU-UHFFFAOYSA-N 2 1 278.360 -0.187 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)CCC1 ZINC001446758087 912938449 /nfs/dbraw/zinc/93/84/49/912938449.db2.gz MVRNWFKPGPGCSB-AWEZNQCLSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001327839882 885492281 /nfs/dbraw/zinc/49/22/81/885492281.db2.gz KYMSPJKRVWUSPJ-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001327856260 885501365 /nfs/dbraw/zinc/50/13/65/885501365.db2.gz PULAFBFPUZZTCN-LLVKDONJSA-N 2 1 284.404 -0.265 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001328412262 885677721 /nfs/dbraw/zinc/67/77/21/885677721.db2.gz HTTJRBMDNHSROE-RWMBFGLXSA-N 3 1 266.389 -0.665 20 0 CBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC001328524393 885714919 /nfs/dbraw/zinc/71/49/19/885714919.db2.gz JKYOEAKKCKRVSX-AGIUHOORSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC001328728858 885794207 /nfs/dbraw/zinc/79/42/07/885794207.db2.gz ALAFZLHQOWZLPM-QWHCGFSZSA-N 3 1 268.405 -0.133 20 0 CBADMP C[C@H]1CCCN(CC(=O)N2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC001328728858 885794216 /nfs/dbraw/zinc/79/42/16/885794216.db2.gz ALAFZLHQOWZLPM-QWHCGFSZSA-N 2 1 268.405 -0.133 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001329429034 886063141 /nfs/dbraw/zinc/06/31/41/886063141.db2.gz XVWAGOCGVGVTBU-JTQLQIEISA-N 2 1 266.345 -0.875 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001329446832 886073638 /nfs/dbraw/zinc/07/36/38/886073638.db2.gz KJPHQVAQAJYHLF-WDEREUQCSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CCCO ZINC001329613565 886144361 /nfs/dbraw/zinc/14/43/61/886144361.db2.gz PCDDNHKDGSWCMB-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CCCO ZINC001329613565 886144372 /nfs/dbraw/zinc/14/43/72/886144372.db2.gz PCDDNHKDGSWCMB-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CCCO ZINC001329613565 886144379 /nfs/dbraw/zinc/14/43/79/886144379.db2.gz PCDDNHKDGSWCMB-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001329843750 886235984 /nfs/dbraw/zinc/23/59/84/886235984.db2.gz RVHBECWIBAHLBN-RYUDHWBXSA-N 2 1 280.372 -0.839 20 0 CBADMP O=C1CCC2=C(CC[N@@H+](CCN3CC[NH2+]CC3)C2)N1 ZINC001329925697 886283473 /nfs/dbraw/zinc/28/34/73/886283473.db2.gz MOMDXDCHHVJHAM-UHFFFAOYSA-N 2 1 264.373 -0.239 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001330024307 886331275 /nfs/dbraw/zinc/33/12/75/886331275.db2.gz PAHRZSDSFFWSOI-QJPTWQEYSA-N 2 1 280.372 -0.793 20 0 CBADMP C[NH2+]C[C@H](C)CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC001330363481 886428716 /nfs/dbraw/zinc/42/87/16/886428716.db2.gz GWJMJPFRBZGCSA-JTQLQIEISA-N 2 1 263.407 -0.145 20 0 CBADMP C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)C1C[NH2+]C1 ZINC001330796430 886572831 /nfs/dbraw/zinc/57/28/31/886572831.db2.gz ZBALQHYPCLBZDI-ZWNOBZJWSA-N 2 1 267.373 -0.036 20 0 CBADMP C[N@@H+](CC(=O)NC[C@]1(O)CC[NH+](C)C1)[C@@H]1CCC[C@H]1O ZINC001447361617 913065006 /nfs/dbraw/zinc/06/50/06/913065006.db2.gz MGGJSDSVMZXIAN-YRGRVCCFSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCC[C@H]1O ZINC001447361617 913065023 /nfs/dbraw/zinc/06/50/23/913065023.db2.gz MGGJSDSVMZXIAN-YRGRVCCFSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCC[C@H]1O ZINC001447361617 913065038 /nfs/dbraw/zinc/06/50/38/913065038.db2.gz MGGJSDSVMZXIAN-YRGRVCCFSA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CC[C@H]1O ZINC001331108851 886674820 /nfs/dbraw/zinc/67/48/20/886674820.db2.gz GSJVPARDRUCTTE-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001331149224 886695745 /nfs/dbraw/zinc/69/57/45/886695745.db2.gz LMIVIPXLXWZHFA-RWMBFGLXSA-N 2 1 296.415 -0.312 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@H]1C ZINC001331195455 886724003 /nfs/dbraw/zinc/72/40/03/886724003.db2.gz FVFOLKOHPMQUHF-YVECIDJPSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@H]1C ZINC001331195455 886724013 /nfs/dbraw/zinc/72/40/13/886724013.db2.gz FVFOLKOHPMQUHF-YVECIDJPSA-N 2 1 296.415 -0.219 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001331192411 886724187 /nfs/dbraw/zinc/72/41/87/886724187.db2.gz NJNJBVFIKKVWBJ-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001331192411 886724194 /nfs/dbraw/zinc/72/41/94/886724194.db2.gz NJNJBVFIKKVWBJ-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP CCC1([NH2+]CC(N)=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001447424717 913075689 /nfs/dbraw/zinc/07/56/89/913075689.db2.gz ONBRAOVOUIKCLL-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC001331490678 886823947 /nfs/dbraw/zinc/82/39/47/886823947.db2.gz ZQSAWGRIPSBWGT-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC001331573962 886850334 /nfs/dbraw/zinc/85/03/34/886850334.db2.gz HNLWIKRTEHWFHB-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001447535429 913091419 /nfs/dbraw/zinc/09/14/19/913091419.db2.gz GLIBWFVSMVANQP-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331670284 886897752 /nfs/dbraw/zinc/89/77/52/886897752.db2.gz VCDTUCSUVQORRR-IJLUTSLNSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCCF ZINC001331683870 886905235 /nfs/dbraw/zinc/90/52/35/886905235.db2.gz MEMXTFWEKDYDPU-MNOVXSKESA-N 2 1 261.341 -0.493 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CCC1C[NH2+]C1 ZINC001331708052 886924992 /nfs/dbraw/zinc/92/49/92/886924992.db2.gz QNYGSVFWSVLXPF-GFCCVEGCSA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC001331771613 886968745 /nfs/dbraw/zinc/96/87/45/886968745.db2.gz SECQRTKXJJEQGX-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP CCOCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001331834411 887005424 /nfs/dbraw/zinc/00/54/24/887005424.db2.gz HLZGUPIAHHYLJS-VXGBXAGGSA-N 2 1 273.377 -0.959 20 0 CBADMP COCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001331834144 887006096 /nfs/dbraw/zinc/00/60/96/887006096.db2.gz DVCPFRJDEMVLJD-NWDGAFQWSA-N 2 1 273.377 -0.959 20 0 CBADMP NC(=O)C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCOCC1 ZINC001331932299 887052978 /nfs/dbraw/zinc/05/29/78/887052978.db2.gz HBHARNBSKMGYPX-NSHDSACASA-N 2 1 255.362 -0.048 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001332288868 887187449 /nfs/dbraw/zinc/18/74/49/887187449.db2.gz USRUFOOIPNFGMT-XQHKEYJVSA-N 2 1 294.399 -0.417 20 0 CBADMP CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001332399942 887260044 /nfs/dbraw/zinc/26/00/44/887260044.db2.gz FWOHVQOAMFACRD-BBBLOLIVSA-N 2 1 262.375 -0.749 20 0 CBADMP 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 887348613 /nfs/dbraw/zinc/34/86/13/887348613.db2.gz MOHPTRICRKAZQW-BNDIWNMDSA-N 2 1 264.373 -0.060 20 0 CBADMP CN(C[C@@H](O)C[NH2+]CCCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001332591165 887369551 /nfs/dbraw/zinc/36/95/51/887369551.db2.gz DNCOXEHERVCCAI-STQMWFEESA-N 2 1 287.404 -0.881 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@@H](CO)C3=O)C2)CC1 ZINC001332846877 887449272 /nfs/dbraw/zinc/44/92/72/887449272.db2.gz APMNUKHBMNLEJQ-NEPJUHHUSA-N 2 1 296.371 -0.932 20 0 CBADMP C[NH+]1CCC(N2CC[C@@H](N3C(=O)N[C@@H](CO)C3=O)C2)CC1 ZINC001332846877 887449281 /nfs/dbraw/zinc/44/92/81/887449281.db2.gz APMNUKHBMNLEJQ-NEPJUHHUSA-N 2 1 296.371 -0.932 20 0 CBADMP CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC001332876258 887458261 /nfs/dbraw/zinc/45/82/61/887458261.db2.gz DWQKDNBXXTZBLC-OUAUKWLOSA-N 2 1 264.391 -0.359 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001333180168 887555293 /nfs/dbraw/zinc/55/52/93/887555293.db2.gz YHBGNJOMXNBMLS-SRVKXCTJSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1nncn1C ZINC001447905367 913161327 /nfs/dbraw/zinc/16/13/27/913161327.db2.gz OWEILALIFBVRRK-WDEREUQCSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC[N@H+]1C ZINC001333378741 887615954 /nfs/dbraw/zinc/61/59/54/887615954.db2.gz GLLFUEDLEOXWLW-UPJWGTAASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001333397698 887621811 /nfs/dbraw/zinc/62/18/11/887621811.db2.gz MNBRRZMDUYPPRW-UWVGGRQHSA-N 2 1 268.361 -0.855 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC001333447459 887641175 /nfs/dbraw/zinc/64/11/75/887641175.db2.gz FWUDOQMKVQUKQH-TXEJJXNPSA-N 2 1 284.404 -0.314 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH2+]C)CC2)C1 ZINC001333564986 887694744 /nfs/dbraw/zinc/69/47/44/887694744.db2.gz CYUOIEDBPCHNDR-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001447937374 913171911 /nfs/dbraw/zinc/17/19/11/913171911.db2.gz NPOMAULBMWERDI-MNOVXSKESA-N 2 1 295.387 -0.237 20 0 CBADMP C[C@H](CO)[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001333621852 887718874 /nfs/dbraw/zinc/71/88/74/887718874.db2.gz IBZCOAYLHBLLCI-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCCC[NH3+])CC[C@@H]21 ZINC001333957517 887819198 /nfs/dbraw/zinc/81/91/98/887819198.db2.gz CEJQQJUZVYRTOM-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001447993346 913187711 /nfs/dbraw/zinc/18/77/11/913187711.db2.gz QZBKVEJZVJNNCG-NEPJUHHUSA-N 2 1 298.431 -0.114 20 0 CBADMP C[NH+](C)CC1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC001334154223 887877690 /nfs/dbraw/zinc/87/76/90/887877690.db2.gz JRONXNQZGOHHHE-WCQYABFASA-N 2 1 255.362 -0.539 20 0 CBADMP C[NH+](C)CC1CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC001334154220 887879482 /nfs/dbraw/zinc/87/94/82/887879482.db2.gz JRONXNQZGOHHHE-AAEUAGOBSA-N 2 1 255.362 -0.539 20 0 CBADMP C[N@@H+](CCOCC[NH3+])C[C@H](O)COC1CCOCC1 ZINC001334339192 887927184 /nfs/dbraw/zinc/92/71/84/887927184.db2.gz WLIULZFGXLHJTR-LBPRGKRZSA-N 2 1 276.377 -0.550 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001448104259 913223655 /nfs/dbraw/zinc/22/36/55/913223655.db2.gz RUXXVZSISQNUSH-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001448104259 913223672 /nfs/dbraw/zinc/22/36/72/913223672.db2.gz RUXXVZSISQNUSH-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@](Cn1cccn1)([NH2+]C[C@@H]1CCC[NH2+]C1)C(N)=O ZINC001334736620 888304840 /nfs/dbraw/zinc/30/48/40/888304840.db2.gz BMLOCPXHURXNIF-DGCLKSJQSA-N 2 1 265.361 -0.284 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CCN1C ZINC001334870679 888349398 /nfs/dbraw/zinc/34/93/98/888349398.db2.gz KFVFQGZWEITZNE-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC001334870679 888349410 /nfs/dbraw/zinc/34/94/10/888349410.db2.gz KFVFQGZWEITZNE-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC001334870679 888349417 /nfs/dbraw/zinc/34/94/17/888349417.db2.gz KFVFQGZWEITZNE-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001334870679 888349428 /nfs/dbraw/zinc/34/94/28/888349428.db2.gz KFVFQGZWEITZNE-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001334870679 888349438 /nfs/dbraw/zinc/34/94/38/888349438.db2.gz KFVFQGZWEITZNE-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)CC(N)=O ZINC001448149112 913242086 /nfs/dbraw/zinc/24/20/86/913242086.db2.gz VQBWQWGWWOFFNI-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)CC(N)=O ZINC001448149112 913242095 /nfs/dbraw/zinc/24/20/95/913242095.db2.gz VQBWQWGWWOFFNI-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001335202910 888442120 /nfs/dbraw/zinc/44/21/20/888442120.db2.gz SBFUQPWLCJTQRL-WDEREUQCSA-N 2 1 257.382 -0.779 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCNCC[NH2+]CC1 ZINC001335350281 888512308 /nfs/dbraw/zinc/51/23/08/888512308.db2.gz GDFSJTPRRULREB-KGLIPLIRSA-N 2 1 295.431 -0.182 20 0 CBADMP C[N@H+]1CCCC[C@@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC001335475941 888542029 /nfs/dbraw/zinc/54/20/29/888542029.db2.gz GNHXRYRWJAPTSE-JTQLQIEISA-N 2 1 256.350 -0.107 20 0 CBADMP O[C@@H]1CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]1O ZINC001336279035 888735122 /nfs/dbraw/zinc/73/51/22/888735122.db2.gz YXEIHHRUGXQMMY-FVCCEPFGSA-N 2 1 256.346 -0.818 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001448331646 913278243 /nfs/dbraw/zinc/27/82/43/913278243.db2.gz HWEVTWNJWXSSOY-NEPJUHHUSA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001448331646 913278259 /nfs/dbraw/zinc/27/82/59/913278259.db2.gz HWEVTWNJWXSSOY-NEPJUHHUSA-N 2 1 298.431 -0.102 20 0 CBADMP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001448323274 913280058 /nfs/dbraw/zinc/28/00/58/913280058.db2.gz XZFYRXIKWLDHBJ-AAEUAGOBSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)CC[N@H+]1C ZINC001336633887 888824816 /nfs/dbraw/zinc/82/48/16/888824816.db2.gz MMWCLWDLNGEZRR-GHMZBOCLSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)CC[N@H+]1C ZINC001336633889 888825566 /nfs/dbraw/zinc/82/55/66/888825566.db2.gz MMWCLWDLNGEZRR-QWRGUYRKSA-N 2 1 282.388 -0.465 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001336644954 888828574 /nfs/dbraw/zinc/82/85/74/888828574.db2.gz BJJJQDXZVZKTLK-TYNCELHUSA-N 2 1 296.415 -0.632 20 0 CBADMP C[C@@H](NC(=O)CC[NH+]1CCOCC1)C1C[NH+](CCCO)C1 ZINC001448346051 913284259 /nfs/dbraw/zinc/28/42/59/913284259.db2.gz RYZFIJUGOZAYNU-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N(C)[C@H]3CC[NH2+]C3)cc2C[NH2+]1 ZINC001336688596 888846511 /nfs/dbraw/zinc/84/65/11/888846511.db2.gz ZXNSVBCQHVMXRU-UWVGGRQHSA-N 2 1 263.345 -0.191 20 0 CBADMP COCC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001448382429 913286558 /nfs/dbraw/zinc/28/65/58/913286558.db2.gz FCUJLFJHFDJIES-OAHLLOKOSA-N 2 1 299.415 -0.112 20 0 CBADMP COCC[N@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001448382429 913286575 /nfs/dbraw/zinc/28/65/75/913286575.db2.gz FCUJLFJHFDJIES-OAHLLOKOSA-N 2 1 299.415 -0.112 20 0 CBADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@H](O)C2(O)CCCC2)C1 ZINC001336794249 888882683 /nfs/dbraw/zinc/88/26/83/888882683.db2.gz JFGBHWKTPWVVPO-RYUDHWBXSA-N 2 1 258.362 -0.691 20 0 CBADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@H](O)C2(O)CCCC2)C1 ZINC001336794249 888882694 /nfs/dbraw/zinc/88/26/94/888882694.db2.gz JFGBHWKTPWVVPO-RYUDHWBXSA-N 2 1 258.362 -0.691 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC001336977996 888942019 /nfs/dbraw/zinc/94/20/19/888942019.db2.gz OGVKLAIIDBTALV-MNOVXSKESA-N 2 1 259.350 -0.813 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001337441792 889011101 /nfs/dbraw/zinc/01/11/01/889011101.db2.gz USRUFOOIPNFGMT-ZDEQEGDKSA-N 2 1 294.399 -0.417 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC001337441598 889011596 /nfs/dbraw/zinc/01/15/96/889011596.db2.gz UDIMYTVRVJJSDJ-WYUUTHIRSA-N 2 1 294.399 -0.419 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337441604 889012807 /nfs/dbraw/zinc/01/28/07/889012807.db2.gz UKXZGWFKDBUEQN-IJLUTSLNSA-N 2 1 284.404 -0.314 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC001337517143 889028059 /nfs/dbraw/zinc/02/80/59/889028059.db2.gz XINJRWFNCRCOOM-FVCCEPFGSA-N 2 1 294.399 -0.608 20 0 CBADMP 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 913317235 /nfs/dbraw/zinc/31/72/35/913317235.db2.gz ZCRPWIFWINGSCE-FDYHWXHSSA-N 2 1 296.415 -0.314 20 0 CBADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCn1ncnn1 ZINC001338491760 889167121 /nfs/dbraw/zinc/16/71/21/889167121.db2.gz NJOLBYNYDADLRE-AWEZNQCLSA-N 2 1 290.371 -0.244 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCn1ncnn1 ZINC001338491760 889167130 /nfs/dbraw/zinc/16/71/30/889167130.db2.gz NJOLBYNYDADLRE-AWEZNQCLSA-N 2 1 290.371 -0.244 20 0 CBADMP [NH3+]C1(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001338518342 889170562 /nfs/dbraw/zinc/17/05/62/889170562.db2.gz ALBWGHXTLKSANK-QWRGUYRKSA-N 2 1 268.361 -0.360 20 0 CBADMP O=c1ccncn1CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC001338549722 889172638 /nfs/dbraw/zinc/17/26/38/889172638.db2.gz HRFOKEGPHPZAAS-LBPRGKRZSA-N 2 1 266.345 -0.710 20 0 CBADMP C[C@H]([NH3+])CNC(=O)NCCCCC[NH+]1CCNCC1 ZINC001338647870 889186624 /nfs/dbraw/zinc/18/66/24/889186624.db2.gz YUMORZNTTRARSK-LBPRGKRZSA-N 2 1 271.409 -0.292 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001339722859 889313725 /nfs/dbraw/zinc/31/37/25/889313725.db2.gz GBGYGRANQHWHMB-AGIUHOORSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H]1CCC[NH2+]1 ZINC001339716156 889315134 /nfs/dbraw/zinc/31/51/34/889315134.db2.gz STTMCFPJQWCTSW-GRYCIOLGSA-N 2 1 252.362 -0.757 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001340062171 889377927 /nfs/dbraw/zinc/37/79/27/889377927.db2.gz MPNOYYKUANKPLZ-WOPDTQHZSA-N 2 1 257.378 -0.339 20 0 CBADMP COCC[NH+]1CCN(C(=O)CC2CC([NH3+])C2)CC1 ZINC001340026310 889366265 /nfs/dbraw/zinc/36/62/65/889366265.db2.gz HTRSFHIXIABFHX-UHFFFAOYSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CO)C1 ZINC001340056001 889371720 /nfs/dbraw/zinc/37/17/20/889371720.db2.gz FZVLAHCXLOSIPW-WDEREUQCSA-N 2 1 257.378 -0.067 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)C23CC(C2)C[NH2+]3)n1C ZINC001340089753 889382756 /nfs/dbraw/zinc/38/27/56/889382756.db2.gz HEXMRJNWBRTEEO-UHFFFAOYSA-N 2 1 263.345 -0.146 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001340199270 889407675 /nfs/dbraw/zinc/40/76/75/889407675.db2.gz FPHGGYZABYTICT-WCQYABFASA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001340281895 889417633 /nfs/dbraw/zinc/41/76/33/889417633.db2.gz MXKSQVGRLPRFQK-FVCCEPFGSA-N 2 1 266.389 -0.239 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH2+]C(C)(C)C1 ZINC001340319351 889421896 /nfs/dbraw/zinc/42/18/96/889421896.db2.gz JLEMYIKMVXQBHA-RYUDHWBXSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CC(C)(C)C[NH3+] ZINC001340486478 889438934 /nfs/dbraw/zinc/43/89/34/889438934.db2.gz UQAGSMDDJVGJHF-RYUDHWBXSA-N 2 1 268.405 -0.182 20 0 CBADMP [NH3+]CCCn1ccc(C(=O)NCCC[NH+]2CCOCC2)n1 ZINC001340773723 889485536 /nfs/dbraw/zinc/48/55/36/889485536.db2.gz JXIKKTZVGXOZIM-UHFFFAOYSA-N 2 1 295.387 -0.316 20 0 CBADMP C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001448687820 913350970 /nfs/dbraw/zinc/35/09/70/913350970.db2.gz WBZDPBPKKMCHAP-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1(C)C ZINC001340953844 889524189 /nfs/dbraw/zinc/52/41/89/889524189.db2.gz RTACSGKVPVVSQL-ZWNOBZJWSA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1(C)C ZINC001340953844 889524201 /nfs/dbraw/zinc/52/42/01/889524201.db2.gz RTACSGKVPVVSQL-ZWNOBZJWSA-N 2 1 255.362 -0.348 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001448704105 913355665 /nfs/dbraw/zinc/35/56/65/913355665.db2.gz XDUPMLVAIIWFLY-JQWIXIFHSA-N 2 1 295.387 -0.237 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001341291264 889572801 /nfs/dbraw/zinc/57/28/01/889572801.db2.gz LTYUTQQHUXVCIB-NEPJUHHUSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC(C[NH3+])CC1 ZINC001341351423 889579323 /nfs/dbraw/zinc/57/93/23/889579323.db2.gz BSCSNZQSRIJAOQ-AAEUAGOBSA-N 2 1 266.389 -0.428 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC[N@H+]1C ZINC001341369428 889582525 /nfs/dbraw/zinc/58/25/25/889582525.db2.gz SFFOPDRJHZSCDW-OUAUKWLOSA-N 2 1 253.346 -0.426 20 0 CBADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001341424700 889595450 /nfs/dbraw/zinc/59/54/50/889595450.db2.gz KAZGRTMZAWFFBQ-MXWKQRLJSA-N 2 1 266.345 -0.155 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C12CCC(CC1)[NH2+]2 ZINC001341452474 889599082 /nfs/dbraw/zinc/59/90/82/889599082.db2.gz UQCZISLBIJMKCL-AVERBVTBSA-N 2 1 294.399 -0.273 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[C@@H](O)C[NH2+]C ZINC001341514449 889611933 /nfs/dbraw/zinc/61/19/33/889611933.db2.gz GYICEEYUSRDESZ-UTUOFQBUSA-N 2 1 257.378 -0.197 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001341571262 889622715 /nfs/dbraw/zinc/62/27/15/889622715.db2.gz OAOSOHCJFMUQFF-TZMCWYRMSA-N 2 1 269.389 -0.051 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001341583996 889628556 /nfs/dbraw/zinc/62/85/56/889628556.db2.gz ACVIZZHGIBTLOX-LBPRGKRZSA-N 2 1 293.371 -0.495 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001341583995 889628640 /nfs/dbraw/zinc/62/86/40/889628640.db2.gz ACVIZZHGIBTLOX-GFCCVEGCSA-N 2 1 293.371 -0.495 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)C1CC1 ZINC001341584954 889628972 /nfs/dbraw/zinc/62/89/72/889628972.db2.gz KLJPNTQFBPVGOM-WCQYABFASA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001341620875 889634262 /nfs/dbraw/zinc/63/42/62/889634262.db2.gz ZUOBLAIJUINKLS-WZRBSPASSA-N 2 1 255.362 -0.443 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)CC2([NH3+])CCC2)CC1 ZINC001341690582 889648501 /nfs/dbraw/zinc/64/85/01/889648501.db2.gz NQNAZSJCJIRVKO-UHFFFAOYSA-N 3 1 254.378 -0.203 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001341733045 889654550 /nfs/dbraw/zinc/65/45/50/889654550.db2.gz NTIZYLBQTVDNLG-GASQSECBSA-N 2 1 267.373 -0.302 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1(C)CC[NH2+]CC1 ZINC001341769066 889660535 /nfs/dbraw/zinc/66/05/35/889660535.db2.gz YRUDMRDCGASPNM-VXGBXAGGSA-N 2 1 266.389 -0.367 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001342037338 889702297 /nfs/dbraw/zinc/70/22/97/889702297.db2.gz SNROPTAMQMALCL-GVXVVHGQSA-N 2 1 268.405 -0.123 20 0 CBADMP C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001342033148 889703378 /nfs/dbraw/zinc/70/33/78/889703378.db2.gz CPMIKFJCWBRHLM-JHJVBQTASA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1CN(C)CC[N@H+]1C ZINC001342033148 889703386 /nfs/dbraw/zinc/70/33/86/889703386.db2.gz CPMIKFJCWBRHLM-JHJVBQTASA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1C[N@@H+](C)CCN1C ZINC001342033148 889703360 /nfs/dbraw/zinc/70/33/60/889703360.db2.gz CPMIKFJCWBRHLM-JHJVBQTASA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H](NC(=O)C[NH2+]CC1CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001342036615 889703816 /nfs/dbraw/zinc/70/38/16/889703816.db2.gz QSKUNWDYAVLHDO-WCQYABFASA-N 2 1 268.405 -0.264 20 0 CBADMP CN1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC[N@H+](C)CC1 ZINC001342155469 889723726 /nfs/dbraw/zinc/72/37/26/889723726.db2.gz JDYXCDCVIOVHHW-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP CN1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+](C)CC1 ZINC001342155469 889723735 /nfs/dbraw/zinc/72/37/35/889723735.db2.gz JDYXCDCVIOVHHW-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001342175547 889727267 /nfs/dbraw/zinc/72/72/67/889727267.db2.gz HGROVPBVDWEIBK-ZJUUUORDSA-N 2 1 252.318 -0.545 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001342222933 889734046 /nfs/dbraw/zinc/73/40/46/889734046.db2.gz ZUEUUSABBWOGKM-RVMXOQNASA-N 2 1 266.389 -0.369 20 0 CBADMP CCN(CC[NH3+])C(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001342300806 889750501 /nfs/dbraw/zinc/75/05/01/889750501.db2.gz ZASWFQGQLUATQO-VIFPVBQESA-N 2 1 251.334 -0.204 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001342302184 889750554 /nfs/dbraw/zinc/75/05/54/889750554.db2.gz QEGZSDPWGNVRBX-VXGBXAGGSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001342393072 889766561 /nfs/dbraw/zinc/76/65/61/889766561.db2.gz SGBJAHUIZMLJJE-WYUUTHIRSA-N 2 1 252.362 -0.772 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC001342463172 889781003 /nfs/dbraw/zinc/78/10/03/889781003.db2.gz VYLNSCMFOFTJJV-LLVKDONJSA-N 3 1 254.378 -0.475 20 0 CBADMP C[C@@H]1[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC001342567343 889792640 /nfs/dbraw/zinc/79/26/40/889792640.db2.gz ANTLHHSRMHKWFR-GMTAPVOTSA-N 2 1 268.361 -0.937 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[N@H+]1C ZINC001342571782 889795730 /nfs/dbraw/zinc/79/57/30/889795730.db2.gz YMVUHMGICRPZBA-GRYCIOLGSA-N 2 1 282.388 -0.608 20 0 CBADMP O=C([C@@H]1CCC[NH2+]1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001342697175 889818976 /nfs/dbraw/zinc/81/89/76/889818976.db2.gz ZCILDLHYGDOCJL-AVGNSLFASA-N 2 1 267.373 -0.204 20 0 CBADMP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001343036933 889857656 /nfs/dbraw/zinc/85/76/56/889857656.db2.gz ISQMARFVRWDJAK-UPJWGTAASA-N 2 1 268.405 -0.136 20 0 CBADMP C[NH2+]C1(C(=O)N2CCN(C)CC[N@H+](C)CC2)CCC1 ZINC001343026729 889859458 /nfs/dbraw/zinc/85/94/58/889859458.db2.gz WIXMZXGWYDQMCL-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH2+]C1(C(=O)N2CCN(C)CC[N@@H+](C)CC2)CCC1 ZINC001343026729 889859463 /nfs/dbraw/zinc/85/94/63/889859463.db2.gz WIXMZXGWYDQMCL-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+](C)CC1 ZINC001343025863 889859612 /nfs/dbraw/zinc/85/96/12/889859612.db2.gz OUYDJWGNDLFJPR-ITGUQSILSA-N 2 1 266.389 -0.842 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CC[NH+](C)CC1 ZINC001343072217 889865746 /nfs/dbraw/zinc/86/57/46/889865746.db2.gz RNTWTHMBNIIVNZ-QNWHQSFQSA-N 2 1 266.389 -0.369 20 0 CBADMP C[N@H+]1CCCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001343191214 889875939 /nfs/dbraw/zinc/87/59/39/889875939.db2.gz LVSSMLLJIJJVTG-OBJOEFQTSA-N 2 1 267.373 -0.177 20 0 CBADMP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC001343370470 889894318 /nfs/dbraw/zinc/89/43/18/889894318.db2.gz DFWXYDZQQLTABI-AWEZNQCLSA-N 2 1 267.373 -0.202 20 0 CBADMP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001343372513 889895555 /nfs/dbraw/zinc/89/55/55/889895555.db2.gz SRQYKXXKCXSPQY-CMPLNLGQSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[N@@H+](CCNC(=O)C1(C[NH3+])CC(O)C1)C1CC1 ZINC001343419053 889901256 /nfs/dbraw/zinc/90/12/56/889901256.db2.gz BFQYTOZHTLZKRB-UHFFFAOYSA-N 2 1 255.362 -0.313 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H](C)[C@H](O)C[NH2+]C)C1CC1 ZINC001343419651 889903884 /nfs/dbraw/zinc/90/38/84/889903884.db2.gz FVAZNQJASDCXMT-CMPLNLGQSA-N 2 1 257.378 -0.197 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001343451145 889914120 /nfs/dbraw/zinc/91/41/20/889914120.db2.gz ACSWPKXNAFBNFT-UHFFFAOYSA-N 2 1 280.416 -0.118 20 0 CBADMP [NH3+]CCCn1ccc(C(=O)NCC(F)(F)C[NH3+])n1 ZINC001343472570 889915024 /nfs/dbraw/zinc/91/50/24/889915024.db2.gz FBMKKSSGOSNKON-UHFFFAOYSA-N 2 1 261.276 -0.444 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@H]1C[N@@H+](C)CCN1C ZINC001343487590 889918810 /nfs/dbraw/zinc/91/88/10/889918810.db2.gz FHGWEDGSMNDTMS-QNWHQSFQSA-N 2 1 268.405 -0.265 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1C[N@@H+](C)CCN1C ZINC001343492902 889923136 /nfs/dbraw/zinc/92/31/36/889923136.db2.gz WKERLNODCCCXKZ-NDBYEHHHSA-N 2 1 268.405 -0.136 20 0 CBADMP CC(C)C[C@H]([NH3+])CC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001343490671 889923309 /nfs/dbraw/zinc/92/33/09/889923309.db2.gz NXIULMODXAZXCO-RYUDHWBXSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)C[C@H]([NH3+])CC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001343490671 889923315 /nfs/dbraw/zinc/92/33/15/889923315.db2.gz NXIULMODXAZXCO-RYUDHWBXSA-N 2 1 257.378 -0.115 20 0 CBADMP C[NH2+]C1(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)CCC1 ZINC001343582219 889934534 /nfs/dbraw/zinc/93/45/34/889934534.db2.gz JJMZWSRNNRYWOV-NWDGAFQWSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)[C@H]1C[N@@H+](C)CCN1C ZINC001343582908 889935453 /nfs/dbraw/zinc/93/54/53/889935453.db2.gz MLNWKQHHRIODJG-SCRDCRAPSA-N 2 1 268.405 -0.264 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC[NH2+]CC3)[C@H]2C1 ZINC001343592653 889938306 /nfs/dbraw/zinc/93/83/06/889938306.db2.gz PIBCLQWRCVQQLC-RWMBFGLXSA-N 2 1 266.389 -0.652 20 0 CBADMP Cn1nccc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001448819144 913402903 /nfs/dbraw/zinc/40/29/03/913402903.db2.gz DUZXTHHCBPVDRG-WCQYABFASA-N 2 1 295.387 -0.919 20 0 CBADMP O=C(NC[C@H]1COCCN1)[C@H]1NCCc2occc21 ZINC001344356180 890015938 /nfs/dbraw/zinc/01/59/38/890015938.db2.gz BGBSUCCUGBJGIM-CABZTGNLSA-N 2 1 265.313 -0.429 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001344410030 890022335 /nfs/dbraw/zinc/02/23/35/890022335.db2.gz CLDKSXHJOTWNIS-KXUCPTDWSA-N 2 1 263.345 -0.064 20 0 CBADMP [NH3+]CCOCC(=O)NCCCCC[NH+]1CCNCC1 ZINC001344929439 890080922 /nfs/dbraw/zinc/08/09/22/890080922.db2.gz ACUYMAKXVWLVDE-UHFFFAOYSA-N 2 1 272.393 -0.847 20 0 CBADMP Cc1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001448830949 913414196 /nfs/dbraw/zinc/41/41/96/913414196.db2.gz RWGLDSOBHHETGV-AAEUAGOBSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001448830949 913414203 /nfs/dbraw/zinc/41/42/03/913414203.db2.gz RWGLDSOBHHETGV-AAEUAGOBSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001448830950 913414662 /nfs/dbraw/zinc/41/46/62/913414662.db2.gz RWGLDSOBHHETGV-YPMHNXCESA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001448830950 913414669 /nfs/dbraw/zinc/41/46/69/913414669.db2.gz RWGLDSOBHHETGV-YPMHNXCESA-N 2 1 296.371 -0.356 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001345196773 890110218 /nfs/dbraw/zinc/11/02/18/890110218.db2.gz GEGNRLVJUARGJD-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC001345186364 890111090 /nfs/dbraw/zinc/11/10/90/890111090.db2.gz NUALURXEJTWZJT-GHMZBOCLSA-N 2 1 284.404 -0.301 20 0 CBADMP 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 890124027 /nfs/dbraw/zinc/12/40/27/890124027.db2.gz MFNGQWBVZFAFCA-MHDGFBEUSA-N 2 1 267.373 -0.491 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001345501067 890138371 /nfs/dbraw/zinc/13/83/71/890138371.db2.gz JGPSEEQZOMELLL-LBELIVKGSA-N 2 1 264.373 -0.616 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC(C)(C)[NH+](C)C ZINC001345527879 890138532 /nfs/dbraw/zinc/13/85/32/890138532.db2.gz XRSSYLDUDANKFU-VXGBXAGGSA-N 2 1 268.405 -0.169 20 0 CBADMP CC(=O)NC[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC001346016594 890195474 /nfs/dbraw/zinc/19/54/74/890195474.db2.gz CZMNMVXSMQYSGW-AWEZNQCLSA-N 2 1 268.405 -0.260 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001346018690 890198275 /nfs/dbraw/zinc/19/82/75/890198275.db2.gz ZJFWFQSKBZQMEY-NWDGAFQWSA-N 3 1 254.378 -0.523 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001346018690 890198280 /nfs/dbraw/zinc/19/82/80/890198280.db2.gz ZJFWFQSKBZQMEY-NWDGAFQWSA-N 3 1 254.378 -0.523 20 0 CBADMP C[C@H](NC(=O)C12CC(C1)C[NH2+]2)[C@H]1C[N@@H+](C)CCN1C ZINC001346229680 890245325 /nfs/dbraw/zinc/24/53/25/890245325.db2.gz WFXIZHMNSNQWAX-WDBLDGLGSA-N 2 1 266.389 -0.511 20 0 CBADMP C[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)CN1CC[NH+](C)CC1 ZINC001346333138 890269677 /nfs/dbraw/zinc/26/96/77/890269677.db2.gz PGGIIHMNGUWGGE-KGLIPLIRSA-N 2 1 299.463 -0.735 20 0 CBADMP COCC[NH2+]CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001346385973 890280859 /nfs/dbraw/zinc/28/08/59/890280859.db2.gz YEYHGCWDABFWDR-IJLUTSLNSA-N 2 1 255.362 -0.321 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NCCCCC[NH+]1CCNCC1 ZINC001346513037 890312713 /nfs/dbraw/zinc/31/27/13/890312713.db2.gz GUTWGVNNNZEQDZ-CYBMUJFWSA-N 2 1 285.436 -0.031 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NCCCCC[NH+]1CCNCC1 ZINC001346513038 890312987 /nfs/dbraw/zinc/31/29/87/890312987.db2.gz GUTWGVNNNZEQDZ-ZDUSSCGKSA-N 2 1 285.436 -0.031 20 0 CBADMP CC[NH+](CC)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001448884993 913439535 /nfs/dbraw/zinc/43/95/35/913439535.db2.gz ORWXHUTWSJFTAO-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[C@H](C(=O)N1CCN(C2C[NH+](C)C2)CC1)[NH+](C)C ZINC001347773387 890515734 /nfs/dbraw/zinc/51/57/34/890515734.db2.gz VHKLCRIXWCWQKF-CYBMUJFWSA-N 2 1 268.405 -0.215 20 0 CBADMP CC[NH+](CC)CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001348416450 890621651 /nfs/dbraw/zinc/62/16/51/890621651.db2.gz XFBRWBVGMLNGHX-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001448980973 913477048 /nfs/dbraw/zinc/47/70/48/913477048.db2.gz OHQOFGHFKRDJFB-ZYHUDNBSSA-N 2 1 293.371 -0.483 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001348965789 890737359 /nfs/dbraw/zinc/73/73/59/890737359.db2.gz QUWGOBRGWONBFA-CYBMUJFWSA-N 2 1 266.345 -0.283 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001349024613 890746164 /nfs/dbraw/zinc/74/61/64/890746164.db2.gz OCEZUMQECFZOQM-VXGBXAGGSA-N 2 1 282.388 -0.878 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCCNC(=O)C[NH+]2CCCC2)C1 ZINC001349028429 890750013 /nfs/dbraw/zinc/75/00/13/890750013.db2.gz DPESETBJQCLLAS-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP C[NH+](C)CCCC(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001349025790 890750132 /nfs/dbraw/zinc/75/01/32/890750132.db2.gz UZZJNTNTMOCVFJ-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP C[NH2+]C1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC001349318378 890792934 /nfs/dbraw/zinc/79/29/34/890792934.db2.gz ISIWVRNOEHUMBR-UHFFFAOYSA-N 2 1 266.345 -0.732 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCNC(=O)CC[NH+](C)C ZINC001349348384 890796861 /nfs/dbraw/zinc/79/68/61/890796861.db2.gz OGQHOAWCTIHVAG-UHFFFAOYSA-N 2 1 281.360 -0.624 20 0 CBADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)nn1 ZINC001349399167 890805621 /nfs/dbraw/zinc/80/56/21/890805621.db2.gz YUIHCGOFOZBYLY-AAEUAGOBSA-N 3 1 264.377 -0.017 20 0 CBADMP [NH3+]Cc1cn([C@H]2CCCN(C[C@H]3CC[NH2+]C3)C2)nn1 ZINC001349399167 890805632 /nfs/dbraw/zinc/80/56/32/890805632.db2.gz YUIHCGOFOZBYLY-AAEUAGOBSA-N 2 1 264.377 -0.017 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC001349417663 890808698 /nfs/dbraw/zinc/80/86/98/890808698.db2.gz IHMVSISANOEZPX-AVGNSLFASA-N 2 1 268.405 -0.182 20 0 CBADMP C[C@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N1CC[NH+](C)CC1 ZINC001349416958 890810496 /nfs/dbraw/zinc/81/04/96/890810496.db2.gz BESAZVXNMHGVKM-UPJWGTAASA-N 2 1 268.405 -0.121 20 0 CBADMP CCn1cnnc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC001349912727 890913177 /nfs/dbraw/zinc/91/31/77/890913177.db2.gz ZBBMBFVEEUGMHL-UHFFFAOYSA-N 2 1 295.391 -0.366 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC001349996099 890921354 /nfs/dbraw/zinc/92/13/54/890921354.db2.gz VJWBEZWKJGIDTD-WYUUTHIRSA-N 2 1 282.388 -0.561 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001350069792 890931716 /nfs/dbraw/zinc/93/17/16/890931716.db2.gz QRLJXYSLDYNZTI-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CC(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001350069792 890931728 /nfs/dbraw/zinc/93/17/28/890931728.db2.gz QRLJXYSLDYNZTI-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[NH+](C)CC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001350069792 890931743 /nfs/dbraw/zinc/93/17/43/890931743.db2.gz QRLJXYSLDYNZTI-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP O=C(C[N@H+]1CC[C@H]([C@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC001350092296 890936929 /nfs/dbraw/zinc/93/69/29/890936929.db2.gz HEHUGPPRJGVDNZ-QWHCGFSZSA-N 2 1 267.373 -0.081 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH3+])C1 ZINC001350331646 890964447 /nfs/dbraw/zinc/96/44/47/890964447.db2.gz AKYMCZJLEVKXRO-NSHDSACASA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC[NH+]1CCOCC1 ZINC001350794289 891041825 /nfs/dbraw/zinc/04/18/25/891041825.db2.gz PLGBYMJHCDVKIO-KBPBESRZSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC[NH+]1CCOCC1 ZINC001350794289 891041835 /nfs/dbraw/zinc/04/18/35/891041835.db2.gz PLGBYMJHCDVKIO-KBPBESRZSA-N 2 1 296.415 -0.787 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC001351133276 891109690 /nfs/dbraw/zinc/10/96/90/891109690.db2.gz OEGINTPPVHBSRJ-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC001351133276 891109693 /nfs/dbraw/zinc/10/96/93/891109693.db2.gz OEGINTPPVHBSRJ-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH+](C)CCO)C1 ZINC001449220925 913545582 /nfs/dbraw/zinc/54/55/82/913545582.db2.gz XXTKKJNBZZRCNK-STQMWFEESA-N 2 1 287.404 -0.928 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)C1 ZINC001449220925 913545599 /nfs/dbraw/zinc/54/55/99/913545599.db2.gz XXTKKJNBZZRCNK-STQMWFEESA-N 2 1 287.404 -0.928 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)C1 ZINC001449220925 913545618 /nfs/dbraw/zinc/54/56/18/913545618.db2.gz XXTKKJNBZZRCNK-STQMWFEESA-N 2 1 287.404 -0.928 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001353071359 891356510 /nfs/dbraw/zinc/35/65/10/891356510.db2.gz ITEOZJJOFNUJHO-VXGBXAGGSA-N 2 1 267.373 -0.177 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001353194128 891381895 /nfs/dbraw/zinc/38/18/95/891381895.db2.gz NGKWTPPNHNNWJI-AVGNSLFASA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1C ZINC001353258229 891388777 /nfs/dbraw/zinc/38/87/77/891388777.db2.gz AVQNPPWVPQPWRE-RHYQMDGZSA-N 2 1 280.372 -0.842 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC001353299300 891394287 /nfs/dbraw/zinc/39/42/87/891394287.db2.gz NCPDIJVKFYLCGD-RNJOBUHISA-N 2 1 294.399 -0.417 20 0 CBADMP CN(C[C@H](O)C[N@H+](C)CCF)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001449240062 913553718 /nfs/dbraw/zinc/55/37/18/913553718.db2.gz HNXMCGJTGBHZLR-VXGBXAGGSA-N 2 1 275.368 -0.341 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001449240062 913553731 /nfs/dbraw/zinc/55/37/31/913553731.db2.gz HNXMCGJTGBHZLR-VXGBXAGGSA-N 2 1 275.368 -0.341 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCF)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449240062 913553734 /nfs/dbraw/zinc/55/37/34/913553734.db2.gz HNXMCGJTGBHZLR-VXGBXAGGSA-N 2 1 275.368 -0.341 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCF)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449240062 913553745 /nfs/dbraw/zinc/55/37/45/913553745.db2.gz HNXMCGJTGBHZLR-VXGBXAGGSA-N 2 1 275.368 -0.341 20 0 CBADMP [NH3+]CCCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001353423973 891425927 /nfs/dbraw/zinc/42/59/27/891425927.db2.gz FWZKTWYDVOPSMY-STQMWFEESA-N 2 1 284.404 -0.034 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH2+]CCN1C)C(C)C ZINC001353527496 891440652 /nfs/dbraw/zinc/44/06/52/891440652.db2.gz VPPIJYAZQJAMNR-LBPRGKRZSA-N 2 1 256.394 -0.264 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC001353535925 891443488 /nfs/dbraw/zinc/44/34/88/891443488.db2.gz WUGPBKDPUIBFTL-SCVCMEIPSA-N 2 1 257.378 -0.198 20 0 CBADMP [NH3+][C@@H](CNCCCN1CC[NH2+]CC1)CC(F)F ZINC001353943030 891491475 /nfs/dbraw/zinc/49/14/75/891491475.db2.gz LCYQUXHIVWVLDY-SNVBAGLBSA-N 2 1 250.337 -0.146 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC[NH2+]C1CC1 ZINC001354131681 891519327 /nfs/dbraw/zinc/51/93/27/891519327.db2.gz MMGBQYFZFICIJR-WCQYABFASA-N 2 1 266.389 -0.367 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC001354771400 891615415 /nfs/dbraw/zinc/61/54/15/891615415.db2.gz VYLNSCMFOFTJJV-NSHDSACASA-N 3 1 254.378 -0.475 20 0 CBADMP CN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CC([NH2+]CC(N)=O)C1 ZINC001449388180 913576205 /nfs/dbraw/zinc/57/62/05/913576205.db2.gz SCENZZJNZJQBHJ-OTTFEQOBSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[NH2+]CC(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001354894327 891628443 /nfs/dbraw/zinc/62/84/43/891628443.db2.gz UYHOLKZZUWKZJW-CYBMUJFWSA-N 2 1 263.345 -0.408 20 0 CBADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC001354916222 891629119 /nfs/dbraw/zinc/62/91/19/891629119.db2.gz UKWDYVWLGPYOHU-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC001354916222 891629125 /nfs/dbraw/zinc/62/91/25/891629125.db2.gz UKWDYVWLGPYOHU-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP O=C(NCCCCC[NH+]1CCNCC1)[C@@]1(F)CC[NH2+]C1 ZINC001354977110 891633871 /nfs/dbraw/zinc/63/38/71/891633871.db2.gz ANFSDSGVLNTRLV-CQSZACIVSA-N 2 1 286.395 -0.120 20 0 CBADMP C[NH2+]C1CC(C(=O)N2CCN(C)CC[N@@H+](C)CC2)C1 ZINC001355442335 891680033 /nfs/dbraw/zinc/68/00/33/891680033.db2.gz SBWKZGJOQGNZGK-UHFFFAOYSA-N 2 1 268.405 -0.310 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001355817794 891706924 /nfs/dbraw/zinc/70/69/24/891706924.db2.gz DPTQFSSPHISFAH-NWDGAFQWSA-N 2 1 256.394 -0.134 20 0 CBADMP C[C@@H](NC(=O)NCC1([NH3+])CC1)[C@@H]1C[N@H+](C)CCO1 ZINC001357262882 891866139 /nfs/dbraw/zinc/86/61/39/891866139.db2.gz WPRLRQLXVZINRM-ZJUUUORDSA-N 2 1 256.350 -0.504 20 0 CBADMP C[C@@H](NC(=O)NCC1([NH3+])CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001357262882 891866146 /nfs/dbraw/zinc/86/61/46/891866146.db2.gz WPRLRQLXVZINRM-ZJUUUORDSA-N 2 1 256.350 -0.504 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001357362304 891875177 /nfs/dbraw/zinc/87/51/77/891875177.db2.gz QBYRENAOOBLAKN-CYDGBPFRSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H](O)C[NH2+]1 ZINC001357369007 891877930 /nfs/dbraw/zinc/87/79/30/891877930.db2.gz TUNKCQMBLPUZTD-HKUMRIAESA-N 2 1 267.373 -0.158 20 0 CBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])CO ZINC001357375770 891880011 /nfs/dbraw/zinc/88/00/11/891880011.db2.gz KOSBBUIQAZMRDV-WHOHXGKFSA-N 2 1 257.378 -0.211 20 0 CBADMP C[NH2+]CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001357433894 891892966 /nfs/dbraw/zinc/89/29/66/891892966.db2.gz HUVPIDHTSIXCSE-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CCCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001357453243 891893465 /nfs/dbraw/zinc/89/34/65/891893465.db2.gz MEMAOFGXJJINEK-GFCCVEGCSA-N 2 1 282.388 -0.652 20 0 CBADMP C[NH2+]CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001357433891 891894232 /nfs/dbraw/zinc/89/42/32/891894232.db2.gz HUVPIDHTSIXCSE-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)C[NH2+]1 ZINC001357937796 891948470 /nfs/dbraw/zinc/94/84/70/891948470.db2.gz GEMKFRNVVSRFDB-WCQYABFASA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001358070637 891968832 /nfs/dbraw/zinc/96/88/32/891968832.db2.gz WUVUKVUNJNRILX-VOAKCMCISA-N 2 1 266.389 -0.654 20 0 CBADMP C[C@@H]1[C@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC001358187266 891978181 /nfs/dbraw/zinc/97/81/81/891978181.db2.gz VXBNCOSVLIAKCP-IJLUTSLNSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001358239042 891981699 /nfs/dbraw/zinc/98/16/99/891981699.db2.gz WCMXJFWCGRNVJF-GXFFZTMASA-N 2 1 266.345 -0.100 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001450347548 913684333 /nfs/dbraw/zinc/68/43/33/913684333.db2.gz JNOOUEKNKXZOIB-UHFFFAOYSA-N 2 1 293.371 -0.530 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001450384653 913688296 /nfs/dbraw/zinc/68/82/96/913688296.db2.gz WKPMBANJPHCWAG-GFCCVEGCSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001450384653 913688304 /nfs/dbraw/zinc/68/83/04/913688304.db2.gz WKPMBANJPHCWAG-GFCCVEGCSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001450384653 913688315 /nfs/dbraw/zinc/68/83/15/913688315.db2.gz WKPMBANJPHCWAG-GFCCVEGCSA-N 2 1 296.415 -0.395 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001450475383 913699398 /nfs/dbraw/zinc/69/93/98/913699398.db2.gz BPVLIJBQKNMEEQ-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP O=C(C1CN([C@H]2CCOC2)C1)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001362620504 892853786 /nfs/dbraw/zinc/85/37/86/892853786.db2.gz PXYCKJOYYCXDBV-IHRRRGAJSA-N 2 1 297.374 -0.038 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H](F)C1)N[C@H](CO)C[NH+]1CCCC1 ZINC001362963579 893210470 /nfs/dbraw/zinc/21/04/70/893210470.db2.gz UGIQTGSBLPGUAN-OLZOCXBDSA-N 2 1 287.379 -0.007 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001363008387 893255491 /nfs/dbraw/zinc/25/54/91/893255491.db2.gz ALMIFQDVWHNYBN-LBPRGKRZSA-N 2 1 275.368 -0.149 20 0 CBADMP CC[NH+](CCO)CCNC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001363008387 893255506 /nfs/dbraw/zinc/25/55/06/893255506.db2.gz ALMIFQDVWHNYBN-LBPRGKRZSA-N 2 1 275.368 -0.149 20 0 CBADMP CC[NH+](CCO)CCNC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001363008387 893255523 /nfs/dbraw/zinc/25/55/23/893255523.db2.gz ALMIFQDVWHNYBN-LBPRGKRZSA-N 2 1 275.368 -0.149 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001363123317 893381953 /nfs/dbraw/zinc/38/19/53/893381953.db2.gz HOHOKGDBMKPVRJ-CYBMUJFWSA-N 2 1 292.383 -0.052 20 0 CBADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC001363127812 893386180 /nfs/dbraw/zinc/38/61/80/893386180.db2.gz PEQHSXMJDMFGOL-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C[NH+](C)C ZINC001363147867 893407363 /nfs/dbraw/zinc/40/73/63/893407363.db2.gz MTDAERBULNRXRU-VXGBXAGGSA-N 2 1 294.403 -0.455 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC001363274896 893520407 /nfs/dbraw/zinc/52/04/07/893520407.db2.gz SGXRQZKTAGXRHV-UKRRQHHQSA-N 2 1 299.415 -0.426 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC001363274896 893520423 /nfs/dbraw/zinc/52/04/23/893520423.db2.gz SGXRQZKTAGXRHV-UKRRQHHQSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N2CCN(C3C[NH+](C)C3)CC2)C1 ZINC001363569575 893802297 /nfs/dbraw/zinc/80/22/97/893802297.db2.gz RCVPZWNVBYDNPB-ZDUSSCGKSA-N 2 1 280.416 -0.214 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCN(C3C[NH+](C)C3)CC2)C1 ZINC001363569575 893802310 /nfs/dbraw/zinc/80/23/10/893802310.db2.gz RCVPZWNVBYDNPB-ZDUSSCGKSA-N 2 1 280.416 -0.214 20 0 CBADMP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001363651460 893877042 /nfs/dbraw/zinc/87/70/42/893877042.db2.gz SWANVYOFUIXQJC-UHFFFAOYSA-N 2 1 297.399 -0.456 20 0 CBADMP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)C(C)(C)O)CC1 ZINC001363792337 893995449 /nfs/dbraw/zinc/99/54/49/893995449.db2.gz WRVUXUYNYGAQOH-CYBMUJFWSA-N 2 1 274.405 -0.103 20 0 CBADMP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)C(C)(C)O)CC1 ZINC001363792337 893995455 /nfs/dbraw/zinc/99/54/55/893995455.db2.gz WRVUXUYNYGAQOH-CYBMUJFWSA-N 2 1 274.405 -0.103 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3CNC(=O)C3)CC2)C1 ZINC001363790482 893996173 /nfs/dbraw/zinc/99/61/73/893996173.db2.gz DBIYYHTWXMWISA-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001363864756 894066518 /nfs/dbraw/zinc/06/65/18/894066518.db2.gz XJFWERUPCPGBLI-SNVBAGLBSA-N 2 1 291.359 -0.306 20 0 CBADMP C[NH+]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)CC1 ZINC001364101311 894191857 /nfs/dbraw/zinc/19/18/57/894191857.db2.gz HDLRAZAQIMKFTC-KGLIPLIRSA-N 2 1 280.416 -0.356 20 0 CBADMP C[NH+]1CCN(CC(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)CC1 ZINC001364101311 894191865 /nfs/dbraw/zinc/19/18/65/894191865.db2.gz HDLRAZAQIMKFTC-KGLIPLIRSA-N 2 1 280.416 -0.356 20 0 CBADMP CC[N@@H+]1CC[C@@H]1C(=O)N1CC(N2CC[NH+](CC)CC2)C1 ZINC001364247653 894284048 /nfs/dbraw/zinc/28/40/48/894284048.db2.gz VBLRFTYBEHJNNM-CQSZACIVSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[N@H+]1CC[C@@H]1C(=O)N1CC(N2CC[NH+](CC)CC2)C1 ZINC001364247653 894284059 /nfs/dbraw/zinc/28/40/59/894284059.db2.gz VBLRFTYBEHJNNM-CQSZACIVSA-N 2 1 280.416 -0.071 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)C(C)(C)O)CC2)C1 ZINC001364361402 894360996 /nfs/dbraw/zinc/36/09/96/894360996.db2.gz ZKSMWKYWJSJCBF-ZIAGYGMSSA-N 2 1 285.432 -0.170 20 0 CBADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001364418075 894404279 /nfs/dbraw/zinc/40/42/79/894404279.db2.gz OOEVLTFWROZEQD-CABCVRRESA-N 2 1 285.432 -0.313 20 0 CBADMP Cn1c[nH+]cc1CC[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC001364507810 894466383 /nfs/dbraw/zinc/46/63/83/894466383.db2.gz WOEGVPHXOAECHA-LBPRGKRZSA-N 2 1 278.356 -0.153 20 0 CBADMP C[NH+](C)CC1CC[NH+](Cc2cn(CC(N)=O)nn2)CC1 ZINC001364681763 894564055 /nfs/dbraw/zinc/56/40/55/894564055.db2.gz HZIAPLGHUWHJRK-UHFFFAOYSA-N 2 1 280.376 -0.463 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)N1CCN(C)CC1 ZINC001364767035 894606230 /nfs/dbraw/zinc/60/62/30/894606230.db2.gz LOHBGQOXCNJVCY-LBPRGKRZSA-N 2 1 292.449 -0.202 20 0 CBADMP NC(=O)NC(=O)CC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001364803583 894625868 /nfs/dbraw/zinc/62/58/68/894625868.db2.gz NWHNSVJIKDTOBS-UHFFFAOYSA-N 2 1 298.387 -0.196 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1C[NH+](C)CC1(C)C ZINC001364955799 894698683 /nfs/dbraw/zinc/69/86/83/894698683.db2.gz RNPKQVBLSPCKGQ-JHJVBQTASA-N 2 1 280.416 -0.169 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001364955799 894698695 /nfs/dbraw/zinc/69/86/95/894698695.db2.gz RNPKQVBLSPCKGQ-JHJVBQTASA-N 2 1 280.416 -0.169 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001364955799 894698712 /nfs/dbraw/zinc/69/87/12/894698712.db2.gz RNPKQVBLSPCKGQ-JHJVBQTASA-N 2 1 280.416 -0.169 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1C[NH+](C)CC1(C)C ZINC001364955804 894700307 /nfs/dbraw/zinc/70/03/07/894700307.db2.gz RNPKQVBLSPCKGQ-UPJWGTAASA-N 2 1 280.416 -0.169 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001364955804 894700312 /nfs/dbraw/zinc/70/03/12/894700312.db2.gz RNPKQVBLSPCKGQ-UPJWGTAASA-N 2 1 280.416 -0.169 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001364955804 894700315 /nfs/dbraw/zinc/70/03/15/894700315.db2.gz RNPKQVBLSPCKGQ-UPJWGTAASA-N 2 1 280.416 -0.169 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001365811588 895126590 /nfs/dbraw/zinc/12/65/90/895126590.db2.gz ITPHIHPJOXGWTJ-SDDRHHMPSA-N 2 1 296.415 -0.171 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001365891999 895137461 /nfs/dbraw/zinc/13/74/61/895137461.db2.gz HRFZWLFDHCBLQW-YIYPIFLZSA-N 2 1 299.415 -0.333 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001365891999 895137471 /nfs/dbraw/zinc/13/74/71/895137471.db2.gz HRFZWLFDHCBLQW-YIYPIFLZSA-N 2 1 299.415 -0.333 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001365891999 895137483 /nfs/dbraw/zinc/13/74/83/895137483.db2.gz HRFZWLFDHCBLQW-YIYPIFLZSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940560 895145849 /nfs/dbraw/zinc/14/58/49/895145849.db2.gz OTGGCYCOHLIKNC-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940560 895145858 /nfs/dbraw/zinc/14/58/58/895145858.db2.gz OTGGCYCOHLIKNC-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001365971841 895155955 /nfs/dbraw/zinc/15/59/55/895155955.db2.gz CFOTZFPDGDFSBI-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001365995653 895166231 /nfs/dbraw/zinc/16/62/31/895166231.db2.gz MDQVXBRHDZIDPY-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001365995653 895166238 /nfs/dbraw/zinc/16/62/38/895166238.db2.gz MDQVXBRHDZIDPY-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001365995653 895166240 /nfs/dbraw/zinc/16/62/40/895166240.db2.gz MDQVXBRHDZIDPY-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001365995653 895166245 /nfs/dbraw/zinc/16/62/45/895166245.db2.gz MDQVXBRHDZIDPY-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001366046966 895178533 /nfs/dbraw/zinc/17/85/33/895178533.db2.gz QPPKNKWMERQBHE-OLZOCXBDSA-N 2 1 296.415 -0.170 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001366046975 895178941 /nfs/dbraw/zinc/17/89/41/895178941.db2.gz QPPKNKWMERQBHE-STQMWFEESA-N 2 1 296.415 -0.170 20 0 CBADMP O=C(Cc1cnc[nH]1)NC[C@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001366064998 895181925 /nfs/dbraw/zinc/18/19/25/895181925.db2.gz UMUWNNOMWHGUNN-RYUDHWBXSA-N 2 1 291.355 -0.675 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366102963 895191924 /nfs/dbraw/zinc/19/19/24/895191924.db2.gz NUPFXKQAWMORLG-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001366105124 895192262 /nfs/dbraw/zinc/19/22/62/895192262.db2.gz RBKBODHWWSATFX-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001366114054 895197623 /nfs/dbraw/zinc/19/76/23/895197623.db2.gz ACARQWULGIABFD-JHJVBQTASA-N 2 1 296.415 -0.156 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001366128341 895200728 /nfs/dbraw/zinc/20/07/28/895200728.db2.gz UHANCAGGYSLMJB-XUXIUFHCSA-N 2 1 299.415 -0.285 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366131070 895201188 /nfs/dbraw/zinc/20/11/88/895201188.db2.gz GCRDZPKAOJQRLE-XDQVBPFNSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001366146397 895205383 /nfs/dbraw/zinc/20/53/83/895205383.db2.gz AQHPDSQLPHIACG-LOWVWBTDSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)N(C)C ZINC001366156001 895209576 /nfs/dbraw/zinc/20/95/76/895209576.db2.gz QZHBFAAIMDNIOB-FVCCEPFGSA-N 2 1 296.415 -0.206 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001366157958 895209618 /nfs/dbraw/zinc/20/96/18/895209618.db2.gz DQTXIFMSVUHXCP-MQYQWHSLSA-N 2 1 299.415 -0.428 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001366157957 895210192 /nfs/dbraw/zinc/21/01/92/895210192.db2.gz DQTXIFMSVUHXCP-FQUUOJAGSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001366169247 895211875 /nfs/dbraw/zinc/21/18/75/895211875.db2.gz IHJMOCHVVNWFLM-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001366204164 895221523 /nfs/dbraw/zinc/22/15/23/895221523.db2.gz VOLDERGGZVSKCU-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001366204164 895221534 /nfs/dbraw/zinc/22/15/34/895221534.db2.gz VOLDERGGZVSKCU-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001366259925 895240435 /nfs/dbraw/zinc/24/04/35/895240435.db2.gz BHOGALJMQLDUFB-NEPJUHHUSA-N 2 1 284.404 -0.301 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001366324288 895275756 /nfs/dbraw/zinc/27/57/56/895275756.db2.gz PPLZQAWKSHWKCH-WCQYABFASA-N 2 1 296.419 -0.004 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001366348292 895289235 /nfs/dbraw/zinc/28/92/35/895289235.db2.gz SXLPHFPCBIMLKH-GHMZBOCLSA-N 2 1 270.377 -0.832 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001366358642 895289679 /nfs/dbraw/zinc/28/96/79/895289679.db2.gz QBUBFKUFFXLRRR-PWSUYJOCSA-N 2 1 284.360 -0.707 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001366380776 895301676 /nfs/dbraw/zinc/30/16/76/895301676.db2.gz HRMLDZSJYQDNSX-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1 ZINC001366388242 895307303 /nfs/dbraw/zinc/30/73/03/895307303.db2.gz ABFFWKQNXKFANK-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1)C(N)=O ZINC001366394529 895309822 /nfs/dbraw/zinc/30/98/22/895309822.db2.gz VOTSNEPXYFEPHN-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H](C)C(N)=O ZINC001366471154 895327087 /nfs/dbraw/zinc/32/70/87/895327087.db2.gz ISNSDGJCXBLDJQ-GHMZBOCLSA-N 2 1 284.404 -0.171 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001366471274 895327918 /nfs/dbraw/zinc/32/79/18/895327918.db2.gz HERBWNLZRAVULX-YNEHKIRRSA-N 2 1 287.404 -0.428 20 0 CBADMP CN(CCNC(=O)C[N@@H+](C)C1CCC1)CC(=O)N(C)C ZINC001366535060 895360388 /nfs/dbraw/zinc/36/03/88/895360388.db2.gz DQPKAVBAURTOQI-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP CCN(C)C(=O)CN(C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001366536849 895360934 /nfs/dbraw/zinc/36/09/34/895360934.db2.gz LYFZBQKYZULJBI-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001366541974 895370603 /nfs/dbraw/zinc/37/06/03/895370603.db2.gz SGLJPLRCSGRREJ-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001366541974 895370618 /nfs/dbraw/zinc/37/06/18/895370618.db2.gz SGLJPLRCSGRREJ-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@@H](CC)C(N)=O)[NH+](C)C ZINC001366562629 895381081 /nfs/dbraw/zinc/38/10/81/895381081.db2.gz GFBZKYNTZCPMPW-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H](CC)C(N)=O)[NH+](C)C ZINC001366562629 895381095 /nfs/dbraw/zinc/38/10/95/895381095.db2.gz GFBZKYNTZCPMPW-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001366592928 895402734 /nfs/dbraw/zinc/40/27/34/895402734.db2.gz OTDNKWTYBJGRID-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001366592928 895402747 /nfs/dbraw/zinc/40/27/47/895402747.db2.gz OTDNKWTYBJGRID-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001366592928 895402753 /nfs/dbraw/zinc/40/27/53/895402753.db2.gz OTDNKWTYBJGRID-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001366592928 895402758 /nfs/dbraw/zinc/40/27/58/895402758.db2.gz OTDNKWTYBJGRID-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP Cn1cc(C[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)cn1 ZINC001366590557 895402958 /nfs/dbraw/zinc/40/29/58/895402958.db2.gz BJFCKBXXMGNOMG-CYBMUJFWSA-N 2 1 279.388 -0.080 20 0 CBADMP Cn1cc(C[N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)cn1 ZINC001366590557 895402964 /nfs/dbraw/zinc/40/29/64/895402964.db2.gz BJFCKBXXMGNOMG-CYBMUJFWSA-N 2 1 279.388 -0.080 20 0 CBADMP Cn1cc(C[NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001366590557 895402968 /nfs/dbraw/zinc/40/29/68/895402968.db2.gz BJFCKBXXMGNOMG-CYBMUJFWSA-N 2 1 279.388 -0.080 20 0 CBADMP Cn1cc(C[NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001366590557 895402972 /nfs/dbraw/zinc/40/29/72/895402972.db2.gz BJFCKBXXMGNOMG-CYBMUJFWSA-N 2 1 279.388 -0.080 20 0 CBADMP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(=O)N(C)C ZINC001366635397 895417045 /nfs/dbraw/zinc/41/70/45/895417045.db2.gz YRHNKPSYPZWGIO-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(=O)N(C)C ZINC001366635397 895417051 /nfs/dbraw/zinc/41/70/51/895417051.db2.gz YRHNKPSYPZWGIO-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001366651718 895421558 /nfs/dbraw/zinc/42/15/58/895421558.db2.gz NCBSPJILEILXII-OCCSQVGLSA-N 2 1 298.431 -0.101 20 0 CBADMP CC1CCN(CC(=O)NC[C@@H]2CCCN2CC(N)=O)CC1 ZINC001366672206 895425635 /nfs/dbraw/zinc/42/56/35/895425635.db2.gz KABRESLRQYWYFK-ZDUSSCGKSA-N 2 1 296.415 -0.216 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001366700970 895434085 /nfs/dbraw/zinc/43/40/85/895434085.db2.gz WKNQMKDWJDAEDC-NSHDSACASA-N 2 1 293.371 -0.522 20 0 CBADMP CN(C)C(=O)CN1CC[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001366700970 895434093 /nfs/dbraw/zinc/43/40/93/895434093.db2.gz WKNQMKDWJDAEDC-NSHDSACASA-N 2 1 293.371 -0.522 20 0 CBADMP O=C(Cc1c[nH]cn1)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001366700095 895436199 /nfs/dbraw/zinc/43/61/99/895436199.db2.gz UXOUDPDAPBUURX-ZYHUDNBSSA-N 2 1 291.355 -0.721 20 0 CBADMP O=C(Cc1c[nH]cn1)NC[C@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001366700095 895436208 /nfs/dbraw/zinc/43/62/08/895436208.db2.gz UXOUDPDAPBUURX-ZYHUDNBSSA-N 2 1 291.355 -0.721 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1)CC(C)(C)C ZINC001366698886 895436298 /nfs/dbraw/zinc/43/62/98/895436298.db2.gz NMUYTSRVBATQOA-LBPRGKRZSA-N 2 1 298.431 -0.112 20 0 CBADMP CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NC ZINC001366728201 895440329 /nfs/dbraw/zinc/44/03/29/895440329.db2.gz JGCCPOGJXIBHRZ-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP CCC[N@@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NC ZINC001366728201 895440333 /nfs/dbraw/zinc/44/03/33/895440333.db2.gz JGCCPOGJXIBHRZ-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](CCCO)C2CC2)C1 ZINC001366759597 895449344 /nfs/dbraw/zinc/44/93/44/895449344.db2.gz FWGDBKCJEDIEGJ-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](CCCO)C2CC2)C1 ZINC001366759597 895449346 /nfs/dbraw/zinc/44/93/46/895449346.db2.gz FWGDBKCJEDIEGJ-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](CCCO)C2CC2)C1 ZINC001366759597 895449350 /nfs/dbraw/zinc/44/93/50/895449350.db2.gz FWGDBKCJEDIEGJ-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](CCCO)C2CC2)C1 ZINC001366759597 895449353 /nfs/dbraw/zinc/44/93/53/895449353.db2.gz FWGDBKCJEDIEGJ-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[C@@H]([NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001366772501 895457442 /nfs/dbraw/zinc/45/74/42/895457442.db2.gz BYWYXLVZTTULAW-LLVKDONJSA-N 2 1 281.360 -0.497 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001366843909 895467214 /nfs/dbraw/zinc/46/72/14/895467214.db2.gz BMMFWFSSGCGBQV-CQSZACIVSA-N 2 1 299.415 -0.471 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[C@@H]1CC[N@H+](CCO)C1 ZINC001366843909 895467220 /nfs/dbraw/zinc/46/72/20/895467220.db2.gz BMMFWFSSGCGBQV-CQSZACIVSA-N 2 1 299.415 -0.471 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366873179 895472323 /nfs/dbraw/zinc/47/23/23/895472323.db2.gz QXBHTIRLGSPZLE-STQMWFEESA-N 2 1 296.415 -0.536 20 0 CBADMP CO[C@H](C)C[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001366983031 895517402 /nfs/dbraw/zinc/51/74/02/895517402.db2.gz IUDAQSSTJVQXBD-CYBMUJFWSA-N 2 1 299.415 -0.208 20 0 CBADMP CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001367033875 895540239 /nfs/dbraw/zinc/54/02/39/895540239.db2.gz LJKNPIZQYSKALB-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001367033875 895540250 /nfs/dbraw/zinc/54/02/50/895540250.db2.gz LJKNPIZQYSKALB-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001367061244 895552704 /nfs/dbraw/zinc/55/27/04/895552704.db2.gz IUNCNTCWVSPMOU-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001367061244 895552714 /nfs/dbraw/zinc/55/27/14/895552714.db2.gz IUNCNTCWVSPMOU-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001367061244 895552722 /nfs/dbraw/zinc/55/27/22/895552722.db2.gz IUNCNTCWVSPMOU-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001367061244 895552736 /nfs/dbraw/zinc/55/27/36/895552736.db2.gz IUNCNTCWVSPMOU-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001367065574 895556176 /nfs/dbraw/zinc/55/61/76/895556176.db2.gz RLVFEPHZSSMFQS-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001367065574 895556182 /nfs/dbraw/zinc/55/61/82/895556182.db2.gz RLVFEPHZSSMFQS-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001367065574 895556190 /nfs/dbraw/zinc/55/61/90/895556190.db2.gz RLVFEPHZSSMFQS-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001367065574 895556197 /nfs/dbraw/zinc/55/61/97/895556197.db2.gz RLVFEPHZSSMFQS-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001367221869 895586385 /nfs/dbraw/zinc/58/63/85/895586385.db2.gz ITTXATNXZLSSHM-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CC(=O)NC1CC1 ZINC001367230891 895589383 /nfs/dbraw/zinc/58/93/83/895589383.db2.gz CUKGUVUMLHHEDN-WCQYABFASA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)NC1CC1 ZINC001367281270 895601442 /nfs/dbraw/zinc/60/14/42/895601442.db2.gz AYORWSIKBKVYGR-RYUDHWBXSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)NC1CC1 ZINC001367281251 895602688 /nfs/dbraw/zinc/60/26/88/895602688.db2.gz AYORWSIKBKVYGR-NEPJUHHUSA-N 2 1 296.415 -0.441 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001367451816 895638671 /nfs/dbraw/zinc/63/86/71/895638671.db2.gz VIDCVEJIQDESLY-NEPJUHHUSA-N 2 1 284.404 -0.362 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]([NH2+][C@H](C)C(N)=O)C(C)C ZINC001367475217 895642085 /nfs/dbraw/zinc/64/20/85/895642085.db2.gz YAAYEOHUWUTQRH-VXGBXAGGSA-N 2 1 295.387 -0.204 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)N(C)C)CC[N@@H+]1C ZINC001367519270 895651005 /nfs/dbraw/zinc/65/10/05/895651005.db2.gz WKMNGIDASITKFO-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)N(C)C)CC[N@H+]1C ZINC001367519270 895651011 /nfs/dbraw/zinc/65/10/11/895651011.db2.gz WKMNGIDASITKFO-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)N(C)C)CC[NH+]1C ZINC001367519270 895651020 /nfs/dbraw/zinc/65/10/20/895651020.db2.gz WKMNGIDASITKFO-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C)CC[NH+]1C ZINC001367519270 895651024 /nfs/dbraw/zinc/65/10/24/895651024.db2.gz WKMNGIDASITKFO-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001367623293 895707958 /nfs/dbraw/zinc/70/79/58/895707958.db2.gz JFNHBIAMZXOBHM-CMPLNLGQSA-N 2 1 282.344 -0.807 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001367623293 895707974 /nfs/dbraw/zinc/70/79/74/895707974.db2.gz JFNHBIAMZXOBHM-CMPLNLGQSA-N 2 1 282.344 -0.807 20 0 CBADMP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001367653866 895726178 /nfs/dbraw/zinc/72/61/78/895726178.db2.gz BXWIOLHZFAPSIR-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001367671015 895736672 /nfs/dbraw/zinc/73/66/72/895736672.db2.gz QDYVIWHHBNMFJH-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001367685317 895745215 /nfs/dbraw/zinc/74/52/15/895745215.db2.gz HTYQGEFIHIIPDW-ZYHUDNBSSA-N 2 1 284.360 -0.707 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001367738229 895779192 /nfs/dbraw/zinc/77/91/92/895779192.db2.gz PALNEBMYAKKUCI-AAEUAGOBSA-N 2 1 296.419 -0.004 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001367860072 895834723 /nfs/dbraw/zinc/83/47/23/895834723.db2.gz WKLQHQDXUPMSQU-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001367860072 895834729 /nfs/dbraw/zinc/83/47/29/895834729.db2.gz WKLQHQDXUPMSQU-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367860072 895834736 /nfs/dbraw/zinc/83/47/36/895834736.db2.gz WKLQHQDXUPMSQU-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367860072 895834745 /nfs/dbraw/zinc/83/47/45/895834745.db2.gz WKLQHQDXUPMSQU-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP Cn1cc(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CC2)nn1 ZINC001367914193 895848601 /nfs/dbraw/zinc/84/86/01/895848601.db2.gz UAWFBOKCXFSPRZ-ZDUSSCGKSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1)C(=O)N(C)C ZINC001367993909 895881249 /nfs/dbraw/zinc/88/12/49/895881249.db2.gz XETPRPIJVQPCGW-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001368108184 895915058 /nfs/dbraw/zinc/91/50/58/895915058.db2.gz ZOOKFUYWKDVIIG-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCO)C2)CC[N@H+]1C ZINC001368244192 895937671 /nfs/dbraw/zinc/93/76/71/895937671.db2.gz GXQHFCZIRAWYDC-GZBFAFLISA-N 2 1 299.415 -0.738 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CCO)C2)CC[NH+]1C ZINC001368244192 895937682 /nfs/dbraw/zinc/93/76/82/895937682.db2.gz GXQHFCZIRAWYDC-GZBFAFLISA-N 2 1 299.415 -0.738 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001368244192 895937689 /nfs/dbraw/zinc/93/76/89/895937689.db2.gz GXQHFCZIRAWYDC-GZBFAFLISA-N 2 1 299.415 -0.738 20 0 CBADMP CC[C@@H](C(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1)[NH+](C)C ZINC001368318382 895981241 /nfs/dbraw/zinc/98/12/41/895981241.db2.gz GJUXXRCVSSMHNS-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3cnon3)C[C@@H]2C1 ZINC001368355435 895985943 /nfs/dbraw/zinc/98/59/43/895985943.db2.gz KIJCUMLTAFHZRX-TXEJJXNPSA-N 2 1 293.371 -0.089 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3cnon3)C[C@@H]2C1 ZINC001368355435 895985956 /nfs/dbraw/zinc/98/59/56/895985956.db2.gz KIJCUMLTAFHZRX-TXEJJXNPSA-N 2 1 293.371 -0.089 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001368395219 896000779 /nfs/dbraw/zinc/00/07/79/896000779.db2.gz BMDHNOAAPVEFSA-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001368395219 896000787 /nfs/dbraw/zinc/00/07/87/896000787.db2.gz BMDHNOAAPVEFSA-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1)[NH+](C)C ZINC001368513895 896027645 /nfs/dbraw/zinc/02/76/45/896027645.db2.gz LHLUSJUBSSZAAS-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001368548480 896033623 /nfs/dbraw/zinc/03/36/23/896033623.db2.gz GJBXRQADVMIASH-XDQVBPFNSA-N 2 1 299.415 -0.164 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001368548480 896033634 /nfs/dbraw/zinc/03/36/34/896033634.db2.gz GJBXRQADVMIASH-XDQVBPFNSA-N 2 1 299.415 -0.164 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH+](C)[C@@H]1CCNC1=O ZINC001368569710 896038498 /nfs/dbraw/zinc/03/84/98/896038498.db2.gz TZOOZJLJBMVOLU-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CCC[N@H+](C)[C@@H]1CCNC1=O ZINC001368569710 896038513 /nfs/dbraw/zinc/03/85/13/896038513.db2.gz TZOOZJLJBMVOLU-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001368569710 896038525 /nfs/dbraw/zinc/03/85/25/896038525.db2.gz TZOOZJLJBMVOLU-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001368662518 896053635 /nfs/dbraw/zinc/05/36/35/896053635.db2.gz XELORNXOBATUOM-WDEREUQCSA-N 2 1 295.391 -0.902 20 0 CBADMP C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001368679922 896058459 /nfs/dbraw/zinc/05/84/59/896058459.db2.gz ZFAMLLHMSNTQOE-CHWSQXEVSA-N 2 1 299.415 -0.596 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001368748364 896073624 /nfs/dbraw/zinc/07/36/24/896073624.db2.gz KKEMDBBDKQEASE-YNEHKIRRSA-N 2 1 287.404 -0.570 20 0 CBADMP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@@H+](C)[C@H]1CCNC1=O ZINC001368971093 896123861 /nfs/dbraw/zinc/12/38/61/896123861.db2.gz CQMPEZUXUWYVNH-AAEUAGOBSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001368975352 896128259 /nfs/dbraw/zinc/12/82/59/896128259.db2.gz SVXXVSOYMFNKJH-NWDGAFQWSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001368975352 896128270 /nfs/dbraw/zinc/12/82/70/896128270.db2.gz SVXXVSOYMFNKJH-NWDGAFQWSA-N 2 1 298.431 -0.101 20 0 CBADMP CCCC[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001369056797 896144461 /nfs/dbraw/zinc/14/44/61/896144461.db2.gz MXMXDIDCXACZDB-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001369101123 896153582 /nfs/dbraw/zinc/15/35/82/896153582.db2.gz QJUMCRVGFJTFLY-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP COCC[NH+]1CC([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001369095977 896153755 /nfs/dbraw/zinc/15/37/55/896153755.db2.gz HFYXWBOPAIIQQN-ZDUSSCGKSA-N 2 1 299.415 -0.208 20 0 CBADMP COC[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001369094931 896153975 /nfs/dbraw/zinc/15/39/75/896153975.db2.gz UZARUBVOLWZEBD-FPMFFAJLSA-N 2 1 299.415 -0.476 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)C1CCC1 ZINC001369136260 896158359 /nfs/dbraw/zinc/15/83/59/896158359.db2.gz UHFRUASUFTVBFZ-ZSOGYDGISA-N 2 1 281.400 -0.243 20 0 CBADMP C[NH+](CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)C1CCC1 ZINC001369136260 896158367 /nfs/dbraw/zinc/15/83/67/896158367.db2.gz UHFRUASUFTVBFZ-ZSOGYDGISA-N 2 1 281.400 -0.243 20 0 CBADMP C[NH+](CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)C1CCC1 ZINC001369136260 896158377 /nfs/dbraw/zinc/15/83/77/896158377.db2.gz UHFRUASUFTVBFZ-ZSOGYDGISA-N 2 1 281.400 -0.243 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001369163557 896161361 /nfs/dbraw/zinc/16/13/61/896161361.db2.gz ZGXWLGZFSBASTI-CNDDSTCGSA-N 2 1 282.388 -0.894 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001369163557 896161371 /nfs/dbraw/zinc/16/13/71/896161371.db2.gz ZGXWLGZFSBASTI-CNDDSTCGSA-N 2 1 282.388 -0.894 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001369163557 896161382 /nfs/dbraw/zinc/16/13/82/896161382.db2.gz ZGXWLGZFSBASTI-CNDDSTCGSA-N 2 1 282.388 -0.894 20 0 CBADMP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001369263923 896185893 /nfs/dbraw/zinc/18/58/93/896185893.db2.gz QUMFUTRSSFZUSY-GHMZBOCLSA-N 2 1 297.407 -0.513 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001369283454 896188232 /nfs/dbraw/zinc/18/82/32/896188232.db2.gz AWZVPHUBTQZMFO-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001369349094 896230326 /nfs/dbraw/zinc/23/03/26/896230326.db2.gz WVAOCNGDECUVKK-RYUDHWBXSA-N 2 1 275.368 -0.103 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCC(F)(F)F)C1 ZINC001369386256 896249857 /nfs/dbraw/zinc/24/98/57/896249857.db2.gz SHCAYRATGBYEQR-UWVGGRQHSA-N 2 1 297.321 -0.043 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001369516867 896308424 /nfs/dbraw/zinc/30/84/24/896308424.db2.gz TZOLOEOHCFUXGS-STQMWFEESA-N 2 1 287.404 -0.928 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369516867 896308453 /nfs/dbraw/zinc/30/84/53/896308453.db2.gz TZOLOEOHCFUXGS-STQMWFEESA-N 2 1 287.404 -0.928 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369516867 896308465 /nfs/dbraw/zinc/30/84/65/896308465.db2.gz TZOLOEOHCFUXGS-STQMWFEESA-N 2 1 287.404 -0.928 20 0 CBADMP COCC[N@@H+](CCO)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001369550211 896316864 /nfs/dbraw/zinc/31/68/64/896316864.db2.gz IFVVWKVZPFIXIT-AWEZNQCLSA-N 2 1 299.415 -0.615 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001369553764 896318884 /nfs/dbraw/zinc/31/88/84/896318884.db2.gz LZGDQTSUOMPMHH-LLVKDONJSA-N 2 1 286.420 -0.066 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)CC[NH+](C)C ZINC001369836468 896347671 /nfs/dbraw/zinc/34/76/71/896347671.db2.gz HGLQWFGMGFOBJJ-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001370014757 896385035 /nfs/dbraw/zinc/38/50/35/896385035.db2.gz HTSUSVYHZDRIRR-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001370018040 896392310 /nfs/dbraw/zinc/39/23/10/896392310.db2.gz OBRYIRUMTKWJTN-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1 ZINC001370405921 896422612 /nfs/dbraw/zinc/42/26/12/896422612.db2.gz SGIXKIGFYMDIAK-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001370424372 896426553 /nfs/dbraw/zinc/42/65/53/896426553.db2.gz CVWAERHDLUIWMB-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O)[NH+](C)C ZINC001370586064 896444039 /nfs/dbraw/zinc/44/40/39/896444039.db2.gz NSAGNHBITAWWHU-PSEXLTFBSA-N 2 1 296.415 -0.077 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001370613342 896447200 /nfs/dbraw/zinc/44/72/00/896447200.db2.gz FVHDZKUUAJHLRO-NDBYEHHHSA-N 2 1 285.388 -0.411 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001370613342 896447208 /nfs/dbraw/zinc/44/72/08/896447208.db2.gz FVHDZKUUAJHLRO-NDBYEHHHSA-N 2 1 285.388 -0.411 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001370623386 896449916 /nfs/dbraw/zinc/44/99/16/896449916.db2.gz CFZKZDRHOBGPNC-XQQFMLRXSA-N 2 1 294.399 -0.404 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001370629826 896451917 /nfs/dbraw/zinc/45/19/17/896451917.db2.gz XVFTVNZKTLNRRQ-TUAOUCFPSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001370706209 896483714 /nfs/dbraw/zinc/48/37/14/896483714.db2.gz UJVSJELWIAEAFS-PHIMTYICSA-N 2 1 270.377 -0.689 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001370807571 896505561 /nfs/dbraw/zinc/50/55/61/896505561.db2.gz LXIBGFLCPYSIHN-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001370982005 896528164 /nfs/dbraw/zinc/52/81/64/896528164.db2.gz WBLMVOJXBBUIRA-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001371237464 896582577 /nfs/dbraw/zinc/58/25/77/896582577.db2.gz MHJARZGERBJUHG-WCQYABFASA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001371320926 896590531 /nfs/dbraw/zinc/59/05/31/896590531.db2.gz PGVBTFOTEAUVMF-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001371560978 896635908 /nfs/dbraw/zinc/63/59/08/896635908.db2.gz FEPGUTXGTGZQSN-FRRDWIJNSA-N 2 1 296.415 -0.489 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001371661230 896647015 /nfs/dbraw/zinc/64/70/15/896647015.db2.gz UXEAEEFSDSYQLM-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H](CCNC(=O)CC[NH+]1CCOCC1)[NH2+]CCO ZINC001371843539 896666991 /nfs/dbraw/zinc/66/69/91/896666991.db2.gz MYXBGXBCWGLNAX-LBPRGKRZSA-N 2 1 273.377 -0.815 20 0 CBADMP C[C@H](CCNC(=O)CC[NH+]1CCOCC1)[NH2+]CCO ZINC001371843533 896668175 /nfs/dbraw/zinc/66/81/75/896668175.db2.gz MYXBGXBCWGLNAX-GFCCVEGCSA-N 2 1 273.377 -0.815 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001371967850 896697175 /nfs/dbraw/zinc/69/71/75/896697175.db2.gz CQXAVHUSXKKNRK-OUAUKWLOSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001371967850 896697178 /nfs/dbraw/zinc/69/71/78/896697178.db2.gz CQXAVHUSXKKNRK-OUAUKWLOSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001371967850 896697182 /nfs/dbraw/zinc/69/71/82/896697182.db2.gz CQXAVHUSXKKNRK-OUAUKWLOSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001371967850 896697187 /nfs/dbraw/zinc/69/71/87/896697187.db2.gz CQXAVHUSXKKNRK-OUAUKWLOSA-N 2 1 270.377 -0.752 20 0 CBADMP CN1CC[C@@H]([N@H+](C)CCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001371997707 896702099 /nfs/dbraw/zinc/70/20/99/896702099.db2.gz KVDKYVDBXWLOCO-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001371997707 896702107 /nfs/dbraw/zinc/70/21/07/896702107.db2.gz KVDKYVDBXWLOCO-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001371999404 896705020 /nfs/dbraw/zinc/70/50/20/896705020.db2.gz KATYADODFLDVJK-RYUDHWBXSA-N 2 1 286.420 -0.245 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001371999404 896705027 /nfs/dbraw/zinc/70/50/27/896705027.db2.gz KATYADODFLDVJK-RYUDHWBXSA-N 2 1 286.420 -0.245 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001371999402 896707190 /nfs/dbraw/zinc/70/71/90/896707190.db2.gz KATYADODFLDVJK-NEPJUHHUSA-N 2 1 286.420 -0.245 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001371999402 896707199 /nfs/dbraw/zinc/70/71/99/896707199.db2.gz KATYADODFLDVJK-NEPJUHHUSA-N 2 1 286.420 -0.245 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001372099879 896727491 /nfs/dbraw/zinc/72/74/91/896727491.db2.gz ZICCROPFFOZXCQ-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001372099879 896727502 /nfs/dbraw/zinc/72/75/02/896727502.db2.gz ZICCROPFFOZXCQ-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001372104493 896728606 /nfs/dbraw/zinc/72/86/06/896728606.db2.gz UNAACWFTRLXLNS-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001372104493 896728611 /nfs/dbraw/zinc/72/86/11/896728611.db2.gz UNAACWFTRLXLNS-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001372104493 896728619 /nfs/dbraw/zinc/72/86/19/896728619.db2.gz UNAACWFTRLXLNS-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001372104493 896728627 /nfs/dbraw/zinc/72/86/27/896728627.db2.gz UNAACWFTRLXLNS-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001372225961 896752331 /nfs/dbraw/zinc/75/23/31/896752331.db2.gz YCFWXLTVNCIOBL-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)CCCO)C1 ZINC001372232487 896752478 /nfs/dbraw/zinc/75/24/78/896752478.db2.gz FMTKDKMLPYBGHT-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)CCCO)C1 ZINC001372232487 896752488 /nfs/dbraw/zinc/75/24/88/896752488.db2.gz FMTKDKMLPYBGHT-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)CCCO)C1 ZINC001372232487 896752496 /nfs/dbraw/zinc/75/24/96/896752496.db2.gz FMTKDKMLPYBGHT-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)CCCO)C1 ZINC001372232487 896752509 /nfs/dbraw/zinc/75/25/09/896752509.db2.gz FMTKDKMLPYBGHT-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCCNC1=O ZINC001372394404 896782981 /nfs/dbraw/zinc/78/29/81/896782981.db2.gz ICYKWZQESOUKTN-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCCNC1=O ZINC001372394404 896782987 /nfs/dbraw/zinc/78/29/87/896782987.db2.gz ICYKWZQESOUKTN-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCCNC1=O ZINC001372394404 896782993 /nfs/dbraw/zinc/78/29/93/896782993.db2.gz ICYKWZQESOUKTN-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+](CC(=O)NC[C@H]1CCC[NH+]1CC(N)=O)C1CCC1 ZINC001372519494 896798561 /nfs/dbraw/zinc/79/85/61/896798561.db2.gz DYBRUZROAFAANW-GFCCVEGCSA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+]1CC(N)=O)C1CCC1 ZINC001372519494 896798573 /nfs/dbraw/zinc/79/85/73/896798573.db2.gz DYBRUZROAFAANW-GFCCVEGCSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O)C1CCC1 ZINC001372519494 896798589 /nfs/dbraw/zinc/79/85/89/896798589.db2.gz DYBRUZROAFAANW-GFCCVEGCSA-N 2 1 282.388 -0.463 20 0 CBADMP C[NH+](CC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O)C1CCC1 ZINC001372519494 896798597 /nfs/dbraw/zinc/79/85/97/896798597.db2.gz DYBRUZROAFAANW-GFCCVEGCSA-N 2 1 282.388 -0.463 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N(C)C)[NH+](C)C ZINC001372545391 896807229 /nfs/dbraw/zinc/80/72/29/896807229.db2.gz AXGQSPVTIKOSDH-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N(C)C)[NH+](C)C ZINC001372545391 896807240 /nfs/dbraw/zinc/80/72/40/896807240.db2.gz AXGQSPVTIKOSDH-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001372651053 896829543 /nfs/dbraw/zinc/82/95/43/896829543.db2.gz NILDHDWBYXLZDX-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001372674150 896836595 /nfs/dbraw/zinc/83/65/95/896836595.db2.gz ZEMCRKIWDITQSB-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001372674150 896836607 /nfs/dbraw/zinc/83/66/07/896836607.db2.gz ZEMCRKIWDITQSB-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001372674150 896836622 /nfs/dbraw/zinc/83/66/22/896836622.db2.gz ZEMCRKIWDITQSB-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001372662559 896837434 /nfs/dbraw/zinc/83/74/34/896837434.db2.gz BWKUDVWZOIVGFF-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001372662559 896837444 /nfs/dbraw/zinc/83/74/44/896837444.db2.gz BWKUDVWZOIVGFF-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001372662559 896837458 /nfs/dbraw/zinc/83/74/58/896837458.db2.gz BWKUDVWZOIVGFF-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001372912394 896898895 /nfs/dbraw/zinc/89/88/95/896898895.db2.gz ZYVMNJNGVWZGNV-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001372940700 896909006 /nfs/dbraw/zinc/90/90/06/896909006.db2.gz ZQRVNZGJLGAANH-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@@H](C)c1nnnn1C ZINC001372965590 896915672 /nfs/dbraw/zinc/91/56/72/896915672.db2.gz DTNQKEFIUGRTKP-NSHDSACASA-N 2 1 297.407 -0.339 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@@H](C)c1nnnn1C ZINC001372965590 896915677 /nfs/dbraw/zinc/91/56/77/896915677.db2.gz DTNQKEFIUGRTKP-NSHDSACASA-N 2 1 297.407 -0.339 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@H](C)c1nnnn1C ZINC001372965587 896916827 /nfs/dbraw/zinc/91/68/27/896916827.db2.gz DTNQKEFIUGRTKP-LLVKDONJSA-N 2 1 297.407 -0.339 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@H](C)c1nnnn1C ZINC001372965587 896916831 /nfs/dbraw/zinc/91/68/31/896916831.db2.gz DTNQKEFIUGRTKP-LLVKDONJSA-N 2 1 297.407 -0.339 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1nnnn1C ZINC001372985486 896920454 /nfs/dbraw/zinc/92/04/54/896920454.db2.gz BLJPFQGBDXGHGI-QWRGUYRKSA-N 2 1 295.391 -0.729 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)c1nnnn1C ZINC001372985486 896920469 /nfs/dbraw/zinc/92/04/69/896920469.db2.gz BLJPFQGBDXGHGI-QWRGUYRKSA-N 2 1 295.391 -0.729 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001373288913 896966517 /nfs/dbraw/zinc/96/65/17/896966517.db2.gz BWRYLTWMSAAEOC-ZDUSSCGKSA-N 2 1 298.431 -0.193 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001373288912 896969663 /nfs/dbraw/zinc/96/96/63/896969663.db2.gz BWRYLTWMSAAEOC-CYBMUJFWSA-N 2 1 298.431 -0.193 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001373311829 896971997 /nfs/dbraw/zinc/97/19/97/896971997.db2.gz KDLRQWBNJQLSSS-VXGBXAGGSA-N 2 1 282.388 -0.796 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001373311829 896972010 /nfs/dbraw/zinc/97/20/10/896972010.db2.gz KDLRQWBNJQLSSS-VXGBXAGGSA-N 2 1 282.388 -0.796 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001373311829 896972017 /nfs/dbraw/zinc/97/20/17/896972017.db2.gz KDLRQWBNJQLSSS-VXGBXAGGSA-N 2 1 282.388 -0.796 20 0 CBADMP CC[C@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001373453982 897019517 /nfs/dbraw/zinc/01/95/17/897019517.db2.gz GHLMQQKNGPVOKB-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[C@@H](C(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001373453997 897021782 /nfs/dbraw/zinc/02/17/82/897021782.db2.gz GHLMQQKNGPVOKB-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001373529154 897039934 /nfs/dbraw/zinc/03/99/34/897039934.db2.gz ARIFXNAXLPMZNB-NSHDSACASA-N 2 1 296.415 -0.489 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001373513463 897040026 /nfs/dbraw/zinc/04/00/26/897040026.db2.gz JSZLGVCHGXYYCZ-OLZOCXBDSA-N 2 1 298.431 -0.116 20 0 CBADMP CN(C(=O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001373529377 897040275 /nfs/dbraw/zinc/04/02/75/897040275.db2.gz JTHGFAJEMZPRNN-UHFFFAOYSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001373707018 897099085 /nfs/dbraw/zinc/09/90/85/897099085.db2.gz FSYLWDUSIHINAK-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001373963350 897141024 /nfs/dbraw/zinc/14/10/24/897141024.db2.gz BAIYTFFHSAQYSD-JHJVBQTASA-N 2 1 296.415 -0.075 20 0 CBADMP Cn1cnnc1C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001373964726 897145650 /nfs/dbraw/zinc/14/56/50/897145650.db2.gz BEURYDYGXORUGW-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001374017623 897154662 /nfs/dbraw/zinc/15/46/62/897154662.db2.gz WRMZGWGFSUZURL-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001374112371 897171047 /nfs/dbraw/zinc/17/10/47/897171047.db2.gz NKDRUCNCAQYYQX-LLVKDONJSA-N 2 1 272.393 -0.586 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001374271983 897202902 /nfs/dbraw/zinc/20/29/02/897202902.db2.gz RTJFJUCQAYYUDH-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001374271411 897203974 /nfs/dbraw/zinc/20/39/74/897203974.db2.gz NBWRIZAGAHNSJW-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001374333761 897214540 /nfs/dbraw/zinc/21/45/40/897214540.db2.gz ZMMUBOXDKHMFQK-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001374333766 897214944 /nfs/dbraw/zinc/21/49/44/897214944.db2.gz ZMMUBOXDKHMFQK-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001374442698 897230506 /nfs/dbraw/zinc/23/05/06/897230506.db2.gz FILWXWCIUMVFFN-NEPJUHHUSA-N 2 1 284.404 -0.456 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001374531032 897248786 /nfs/dbraw/zinc/24/87/86/897248786.db2.gz ZHTJWEDFLGNVLJ-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001374531032 897248795 /nfs/dbraw/zinc/24/87/95/897248795.db2.gz ZHTJWEDFLGNVLJ-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(N)=O)C1 ZINC001374562382 897263316 /nfs/dbraw/zinc/26/33/16/897263316.db2.gz PENRHZSJQNVBGK-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001374555213 897263445 /nfs/dbraw/zinc/26/34/45/897263445.db2.gz BYFQWGJWCPDZQU-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001374555213 897263454 /nfs/dbraw/zinc/26/34/54/897263454.db2.gz BYFQWGJWCPDZQU-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cncs1 ZINC001374588973 897287016 /nfs/dbraw/zinc/28/70/16/897287016.db2.gz GRJNMCRRKGTWNT-ZYHUDNBSSA-N 2 1 298.412 -0.196 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cncs1 ZINC001374588969 897288386 /nfs/dbraw/zinc/28/83/86/897288386.db2.gz GRJNMCRRKGTWNT-PWSUYJOCSA-N 2 1 298.412 -0.196 20 0 CBADMP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)c(C)o1 ZINC001374644045 897325114 /nfs/dbraw/zinc/32/51/14/897325114.db2.gz TYRMDXGFTZAXIX-GFCCVEGCSA-N 2 1 298.387 -0.190 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001374668188 897337834 /nfs/dbraw/zinc/33/78/34/897337834.db2.gz FCAFRCJEXGBVGV-WCQYABFASA-N 2 1 296.371 -0.417 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001374668188 897337850 /nfs/dbraw/zinc/33/78/50/897337850.db2.gz FCAFRCJEXGBVGV-WCQYABFASA-N 2 1 296.371 -0.417 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]Cc1cscn1 ZINC001374680281 897342266 /nfs/dbraw/zinc/34/22/66/897342266.db2.gz BWEAXXICUVKAGP-GFCCVEGCSA-N 2 1 298.412 -0.194 20 0 CBADMP CC[C@H](C(=O)N1CC(NC(=O)CC[N@@H+](C)CC)C1)[NH+](C)C ZINC001374762872 897381068 /nfs/dbraw/zinc/38/10/68/897381068.db2.gz JPEGGNDHEHEVJL-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001374835029 897407055 /nfs/dbraw/zinc/40/70/55/897407055.db2.gz YCNJSZBHLHBIDM-YPMHNXCESA-N 2 1 296.419 -0.004 20 0 CBADMP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001374835027 897407963 /nfs/dbraw/zinc/40/79/63/897407963.db2.gz YCNJSZBHLHBIDM-DGCLKSJQSA-N 2 1 296.419 -0.004 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001374873843 897416139 /nfs/dbraw/zinc/41/61/39/897416139.db2.gz UDHIZCWVAHASRD-QJPTWQEYSA-N 2 1 273.377 -0.818 20 0 CBADMP C[C@@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001374923075 897434733 /nfs/dbraw/zinc/43/47/33/897434733.db2.gz ZDQVBEBWCBXCJZ-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001374928361 897435461 /nfs/dbraw/zinc/43/54/61/897435461.db2.gz NPQXEPLDZKHUBB-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnnn1C ZINC001374981745 897446524 /nfs/dbraw/zinc/44/65/24/897446524.db2.gz JYFBCXRVZFNAFN-QWRGUYRKSA-N 2 1 297.407 -0.294 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnnn1C ZINC001374981745 897446532 /nfs/dbraw/zinc/44/65/32/897446532.db2.gz JYFBCXRVZFNAFN-QWRGUYRKSA-N 2 1 297.407 -0.294 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374978253 897447136 /nfs/dbraw/zinc/44/71/36/897447136.db2.gz WZCAHCPFRFRJDH-WCQYABFASA-N 2 1 279.388 -0.034 20 0 CBADMP C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001375074808 897471754 /nfs/dbraw/zinc/47/17/54/897471754.db2.gz RPCPLRLYORFSFO-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001375074808 897471761 /nfs/dbraw/zinc/47/17/61/897471761.db2.gz RPCPLRLYORFSFO-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001375435660 897542021 /nfs/dbraw/zinc/54/20/21/897542021.db2.gz JEMGTTXPZQZUHK-RYUDHWBXSA-N 2 1 294.399 -0.273 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001375483429 897551197 /nfs/dbraw/zinc/55/11/97/897551197.db2.gz GJBXRQADVMIASH-FQUUOJAGSA-N 2 1 299.415 -0.164 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001375483429 897551210 /nfs/dbraw/zinc/55/12/10/897551210.db2.gz GJBXRQADVMIASH-FQUUOJAGSA-N 2 1 299.415 -0.164 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+][C@@H]3CCCNC3=O)CC2)C1 ZINC001375546839 897563132 /nfs/dbraw/zinc/56/31/32/897563132.db2.gz ZLSWQZWHCPBKIV-NWDGAFQWSA-N 2 1 294.399 -0.545 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1CC(N)=O ZINC001375606715 897573767 /nfs/dbraw/zinc/57/37/67/897573767.db2.gz GXTDBKHXGHPVSP-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@H+]1CC(N)=O ZINC001375606715 897573780 /nfs/dbraw/zinc/57/37/80/897573780.db2.gz GXTDBKHXGHPVSP-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)CC[N@H+](C)CC)CC[NH+]1CC(N)=O ZINC001375606715 897573802 /nfs/dbraw/zinc/57/38/02/897573802.db2.gz GXTDBKHXGHPVSP-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)CC[NH+]1CC(N)=O ZINC001375606715 897573816 /nfs/dbraw/zinc/57/38/16/897573816.db2.gz GXTDBKHXGHPVSP-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001375662674 897585484 /nfs/dbraw/zinc/58/54/84/897585484.db2.gz XCMPKMRTBZXZTN-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001375662674 897585494 /nfs/dbraw/zinc/58/54/94/897585494.db2.gz XCMPKMRTBZXZTN-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001375750101 897601765 /nfs/dbraw/zinc/60/17/65/897601765.db2.gz UACCLVHEOYUORL-QWHCGFSZSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001375759108 897602852 /nfs/dbraw/zinc/60/28/52/897602852.db2.gz ZEHTVWFYQJPGHF-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001375767988 897605942 /nfs/dbraw/zinc/60/59/42/897605942.db2.gz RKFBBKBOHZAOCN-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001375856555 897614912 /nfs/dbraw/zinc/61/49/12/897614912.db2.gz UPUQBFSMOGTAOT-SWLSCSKDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001375856555 897614924 /nfs/dbraw/zinc/61/49/24/897614924.db2.gz UPUQBFSMOGTAOT-SWLSCSKDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001375856555 897614934 /nfs/dbraw/zinc/61/49/34/897614934.db2.gz UPUQBFSMOGTAOT-SWLSCSKDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001375856555 897614940 /nfs/dbraw/zinc/61/49/40/897614940.db2.gz UPUQBFSMOGTAOT-SWLSCSKDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001375843419 897617375 /nfs/dbraw/zinc/61/73/75/897617375.db2.gz OASPXQQBVJUPSI-WFASDCNBSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001375843419 897617379 /nfs/dbraw/zinc/61/73/79/897617379.db2.gz OASPXQQBVJUPSI-WFASDCNBSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001376157617 897674999 /nfs/dbraw/zinc/67/49/99/897674999.db2.gz WBXJYJYCNGPDJX-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP CCCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376155951 897675399 /nfs/dbraw/zinc/67/53/99/897675399.db2.gz QYJDJZDGGFNXLU-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001376241099 897694164 /nfs/dbraw/zinc/69/41/64/897694164.db2.gz NDSZJDTUYUZNED-HZSPNIEDSA-N 2 1 299.415 -0.428 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001376341236 897713361 /nfs/dbraw/zinc/71/33/61/897713361.db2.gz PAKWECJGJJPBPA-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001376341236 897713372 /nfs/dbraw/zinc/71/33/72/897713372.db2.gz PAKWECJGJJPBPA-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001376353011 897717720 /nfs/dbraw/zinc/71/77/20/897717720.db2.gz MVCNZDBCWMWKKD-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001376353011 897717727 /nfs/dbraw/zinc/71/77/27/897717727.db2.gz MVCNZDBCWMWKKD-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001376370403 897719541 /nfs/dbraw/zinc/71/95/41/897719541.db2.gz XVFTVNZKTLNRRQ-SRVKXCTJSA-N 2 1 282.388 -0.594 20 0 CBADMP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CC1 ZINC001376419720 897729288 /nfs/dbraw/zinc/72/92/88/897729288.db2.gz VLJRLBFRMOAQBW-TXEJJXNPSA-N 2 1 294.399 -0.796 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001376483474 897756378 /nfs/dbraw/zinc/75/63/78/897756378.db2.gz YBJOYYUQRUBQQH-MCIONIFRSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C1CC1 ZINC001376696009 897810418 /nfs/dbraw/zinc/81/04/18/897810418.db2.gz CBMFZIUQAXOOGN-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cnnn1C ZINC001376737827 897829618 /nfs/dbraw/zinc/82/96/18/897829618.db2.gz FFDCKDOBGKEUNG-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001376741783 897833262 /nfs/dbraw/zinc/83/32/62/897833262.db2.gz ABTNVFITHFVDPN-GFCCVEGCSA-N 2 1 296.415 -0.025 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1nncn1C ZINC001376795335 897849716 /nfs/dbraw/zinc/84/97/16/897849716.db2.gz AWOXYWQLAFYLJQ-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001376811556 897854461 /nfs/dbraw/zinc/85/44/61/897854461.db2.gz VNFNLRBAOOOCGX-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001376871095 897875661 /nfs/dbraw/zinc/87/56/61/897875661.db2.gz YHTIDESYZOZSJZ-PWSUYJOCSA-N 2 1 293.371 -0.483 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001376865243 897875992 /nfs/dbraw/zinc/87/59/92/897875992.db2.gz JTEDXWJAJSDBHC-JTQLQIEISA-N 2 1 281.360 -0.578 20 0 CBADMP CN(CCC[N@H+](C)CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001376923469 897891696 /nfs/dbraw/zinc/89/16/96/897891696.db2.gz VYPUODARNHIZHA-GFCCVEGCSA-N 2 1 273.377 -0.910 20 0 CBADMP CN(CCC[N@@H+](C)CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001376923469 897891703 /nfs/dbraw/zinc/89/17/03/897891703.db2.gz VYPUODARNHIZHA-GFCCVEGCSA-N 2 1 273.377 -0.910 20 0 CBADMP CN(CCC[NH+](C)CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001376923469 897891711 /nfs/dbraw/zinc/89/17/11/897891711.db2.gz VYPUODARNHIZHA-GFCCVEGCSA-N 2 1 273.377 -0.910 20 0 CBADMP CN(CCC[NH+](C)CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001376923469 897891722 /nfs/dbraw/zinc/89/17/22/897891722.db2.gz VYPUODARNHIZHA-GFCCVEGCSA-N 2 1 273.377 -0.910 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376933621 897895051 /nfs/dbraw/zinc/89/50/51/897895051.db2.gz WBPRMHRCQIOZKO-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376964517 897901013 /nfs/dbraw/zinc/90/10/13/897901013.db2.gz YGKXDTDMSWQOJO-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CCC[NH+](C)[C@@H]1CCNC1=O ZINC001377005047 897908507 /nfs/dbraw/zinc/90/85/07/897908507.db2.gz QJIZRQPLESSGQV-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CCC[N@H+](C)[C@@H]1CCNC1=O ZINC001377005047 897908519 /nfs/dbraw/zinc/90/85/19/897908519.db2.gz QJIZRQPLESSGQV-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001377005047 897908526 /nfs/dbraw/zinc/90/85/26/897908526.db2.gz QJIZRQPLESSGQV-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001377016696 897911703 /nfs/dbraw/zinc/91/17/03/897911703.db2.gz HLYQRTDFGPOSIN-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377016696 897911721 /nfs/dbraw/zinc/91/17/21/897911721.db2.gz HLYQRTDFGPOSIN-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377016696 897911730 /nfs/dbraw/zinc/91/17/30/897911730.db2.gz HLYQRTDFGPOSIN-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001377114393 897932873 /nfs/dbraw/zinc/93/28/73/897932873.db2.gz VTTSJCMWXWLERS-NWDGAFQWSA-N 2 1 286.420 -0.055 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001377126741 897936833 /nfs/dbraw/zinc/93/68/33/897936833.db2.gz DTGIMTXETGQHOB-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP COC[C@H](O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001377126741 897936844 /nfs/dbraw/zinc/93/68/44/897936844.db2.gz DTGIMTXETGQHOB-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP COC[C@H](O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001377126741 897936856 /nfs/dbraw/zinc/93/68/56/897936856.db2.gz DTGIMTXETGQHOB-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001377130303 897941001 /nfs/dbraw/zinc/94/10/01/897941001.db2.gz NVTHYPLTZMZYHA-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001377130303 897941010 /nfs/dbraw/zinc/94/10/10/897941010.db2.gz NVTHYPLTZMZYHA-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001377130303 897941024 /nfs/dbraw/zinc/94/10/24/897941024.db2.gz NVTHYPLTZMZYHA-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001377130303 897941033 /nfs/dbraw/zinc/94/10/33/897941033.db2.gz NVTHYPLTZMZYHA-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP CCCNC(=O)CN(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001377253079 897985128 /nfs/dbraw/zinc/98/51/28/897985128.db2.gz UMLGOJWKASBNMH-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](CC)[C@H]1CCNC1=O)[NH+](C)C ZINC001377338976 898016041 /nfs/dbraw/zinc/01/60/41/898016041.db2.gz WHGFCPYWVAITRW-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@H](C)C1 ZINC001377376623 898024032 /nfs/dbraw/zinc/02/40/32/898024032.db2.gz FOZKYKBPZKOBFB-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@H](C)C1 ZINC001377376623 898024040 /nfs/dbraw/zinc/02/40/40/898024040.db2.gz FOZKYKBPZKOBFB-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC001377376623 898024050 /nfs/dbraw/zinc/02/40/50/898024050.db2.gz FOZKYKBPZKOBFB-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC001377376623 898024058 /nfs/dbraw/zinc/02/40/58/898024058.db2.gz FOZKYKBPZKOBFB-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@H](C)C(N)=O ZINC001377363034 898026234 /nfs/dbraw/zinc/02/62/34/898026234.db2.gz VXPMCHPPYYQYFJ-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@H](C)C(N)=O ZINC001377363034 898026248 /nfs/dbraw/zinc/02/62/48/898026248.db2.gz VXPMCHPPYYQYFJ-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)CCOC ZINC001377368673 898027183 /nfs/dbraw/zinc/02/71/83/898027183.db2.gz RPBBNHISUJAWEM-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)CCOC ZINC001377368673 898027208 /nfs/dbraw/zinc/02/72/08/898027208.db2.gz RPBBNHISUJAWEM-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](CC)CCO1)CCOC ZINC001377368673 898027222 /nfs/dbraw/zinc/02/72/22/898027222.db2.gz RPBBNHISUJAWEM-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)CCOC ZINC001377368673 898027234 /nfs/dbraw/zinc/02/72/34/898027234.db2.gz RPBBNHISUJAWEM-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001377395820 898033974 /nfs/dbraw/zinc/03/39/74/898033974.db2.gz DSRSVFHLPHSIOL-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001377395820 898033985 /nfs/dbraw/zinc/03/39/85/898033985.db2.gz DSRSVFHLPHSIOL-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001377395820 898033997 /nfs/dbraw/zinc/03/39/97/898033997.db2.gz DSRSVFHLPHSIOL-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001377395820 898034006 /nfs/dbraw/zinc/03/40/06/898034006.db2.gz DSRSVFHLPHSIOL-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001377456155 898053801 /nfs/dbraw/zinc/05/38/01/898053801.db2.gz SPJMBGIEGFQAKT-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001377449203 898054433 /nfs/dbraw/zinc/05/44/33/898054433.db2.gz BNQDVRIBIDVHAA-NSHDSACASA-N 2 1 282.388 -0.748 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001377458085 898055605 /nfs/dbraw/zinc/05/56/05/898055605.db2.gz WUVFNGBUKFPZRH-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001377458089 898055707 /nfs/dbraw/zinc/05/57/07/898055707.db2.gz WUVFNGBUKFPZRH-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001377467718 898056644 /nfs/dbraw/zinc/05/66/44/898056644.db2.gz WUHMMZIIDKOKPU-JTQLQIEISA-N 2 1 281.360 -0.578 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(N)=O ZINC001377485000 898063131 /nfs/dbraw/zinc/06/31/31/898063131.db2.gz BYDGADUUXOOSHN-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(N)=O ZINC001377485000 898063139 /nfs/dbraw/zinc/06/31/39/898063139.db2.gz BYDGADUUXOOSHN-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(N)=O ZINC001377485000 898063151 /nfs/dbraw/zinc/06/31/51/898063151.db2.gz BYDGADUUXOOSHN-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(N)=O ZINC001377485000 898063162 /nfs/dbraw/zinc/06/31/62/898063162.db2.gz BYDGADUUXOOSHN-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001377511402 898070964 /nfs/dbraw/zinc/07/09/64/898070964.db2.gz FEQKUXAPGXEXLK-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP CO[C@@H](C)C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001377519024 898074506 /nfs/dbraw/zinc/07/45/06/898074506.db2.gz SLASPDYUMMDVLR-GXTWGEPZSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H](C)C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001377519024 898074515 /nfs/dbraw/zinc/07/45/15/898074515.db2.gz SLASPDYUMMDVLR-GXTWGEPZSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H](C)C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001377519024 898074523 /nfs/dbraw/zinc/07/45/23/898074523.db2.gz SLASPDYUMMDVLR-GXTWGEPZSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H](C)C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001377519024 898074531 /nfs/dbraw/zinc/07/45/31/898074531.db2.gz SLASPDYUMMDVLR-GXTWGEPZSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377523484 898077968 /nfs/dbraw/zinc/07/79/68/898077968.db2.gz KKEMDBBDKQEASE-XQQFMLRXSA-N 2 1 287.404 -0.570 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O)[NH+](C)C ZINC001377553094 898087005 /nfs/dbraw/zinc/08/70/05/898087005.db2.gz IENFXNQKSAFLEJ-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O)[NH+](C)C ZINC001377553094 898087019 /nfs/dbraw/zinc/08/70/19/898087019.db2.gz IENFXNQKSAFLEJ-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001377591563 898099335 /nfs/dbraw/zinc/09/93/35/898099335.db2.gz SUTRJYVIAKJMDO-NSHDSACASA-N 2 1 281.360 -0.626 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001377595432 898101911 /nfs/dbraw/zinc/10/19/11/898101911.db2.gz QZXXWGSQVCJJIQ-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP COCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001377680429 898114559 /nfs/dbraw/zinc/11/45/59/898114559.db2.gz WLNVSQYKISMMBJ-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001377680429 898114562 /nfs/dbraw/zinc/11/45/62/898114562.db2.gz WLNVSQYKISMMBJ-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001377680429 898114566 /nfs/dbraw/zinc/11/45/66/898114566.db2.gz WLNVSQYKISMMBJ-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001377680429 898114571 /nfs/dbraw/zinc/11/45/71/898114571.db2.gz WLNVSQYKISMMBJ-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CCN1CC[NH+](CCO)CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377740236 898125731 /nfs/dbraw/zinc/12/57/31/898125731.db2.gz LXYDAGAAKAOVLT-AWEZNQCLSA-N 2 1 298.431 -0.994 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001377766147 898133899 /nfs/dbraw/zinc/13/38/99/898133899.db2.gz GWLXXPDVPBGOFE-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001377766147 898133906 /nfs/dbraw/zinc/13/39/06/898133906.db2.gz GWLXXPDVPBGOFE-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001377766147 898133912 /nfs/dbraw/zinc/13/39/12/898133912.db2.gz GWLXXPDVPBGOFE-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC001378084772 898229467 /nfs/dbraw/zinc/22/94/67/898229467.db2.gz BIOQANFSYDXXRQ-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC001378084772 898229483 /nfs/dbraw/zinc/22/94/83/898229483.db2.gz BIOQANFSYDXXRQ-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001378084772 898229501 /nfs/dbraw/zinc/22/95/01/898229501.db2.gz BIOQANFSYDXXRQ-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001378084772 898229516 /nfs/dbraw/zinc/22/95/16/898229516.db2.gz BIOQANFSYDXXRQ-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CCN1CCNC1=O ZINC001378121505 898243966 /nfs/dbraw/zinc/24/39/66/898243966.db2.gz ISDVEPDTEHNXFX-GFCCVEGCSA-N 2 1 299.419 -0.600 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC(=O)N1CCCC1 ZINC001378118914 898244779 /nfs/dbraw/zinc/24/47/79/898244779.db2.gz BEWBSFIIENPEKI-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC(=O)N1CCCC1 ZINC001378118914 898244796 /nfs/dbraw/zinc/24/47/96/898244796.db2.gz BEWBSFIIENPEKI-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001378133764 898250130 /nfs/dbraw/zinc/25/01/30/898250130.db2.gz NKBJCGLTBZFSML-GFCCVEGCSA-N 2 1 285.388 -0.720 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001378181041 898263903 /nfs/dbraw/zinc/26/39/03/898263903.db2.gz FRIXZJCNRWPNHM-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001378181041 898263916 /nfs/dbraw/zinc/26/39/16/898263916.db2.gz FRIXZJCNRWPNHM-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001378181041 898263930 /nfs/dbraw/zinc/26/39/30/898263930.db2.gz FRIXZJCNRWPNHM-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001378181041 898263945 /nfs/dbraw/zinc/26/39/45/898263945.db2.gz FRIXZJCNRWPNHM-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001378178725 898264929 /nfs/dbraw/zinc/26/49/29/898264929.db2.gz APSVCPKHWQQONN-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001378178725 898264939 /nfs/dbraw/zinc/26/49/39/898264939.db2.gz APSVCPKHWQQONN-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001378178725 898264948 /nfs/dbraw/zinc/26/49/48/898264948.db2.gz APSVCPKHWQQONN-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001378178725 898264961 /nfs/dbraw/zinc/26/49/61/898264961.db2.gz APSVCPKHWQQONN-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001378178721 898266661 /nfs/dbraw/zinc/26/66/61/898266661.db2.gz APSVCPKHWQQONN-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001378178721 898266681 /nfs/dbraw/zinc/26/66/81/898266681.db2.gz APSVCPKHWQQONN-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001378178721 898266697 /nfs/dbraw/zinc/26/66/97/898266697.db2.gz APSVCPKHWQQONN-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001378178721 898266714 /nfs/dbraw/zinc/26/67/14/898266714.db2.gz APSVCPKHWQQONN-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)[C@@H]1CCNC1=O ZINC001378195641 898270806 /nfs/dbraw/zinc/27/08/06/898270806.db2.gz YJANAFAXFZKNLJ-NWDGAFQWSA-N 2 1 294.399 -0.593 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)[NH+](C)C ZINC001378193739 898273291 /nfs/dbraw/zinc/27/32/91/898273291.db2.gz IYOVSPKIRKAZNA-CMPLNLGQSA-N 2 1 272.393 -0.506 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001378193739 898273306 /nfs/dbraw/zinc/27/33/06/898273306.db2.gz IYOVSPKIRKAZNA-CMPLNLGQSA-N 2 1 272.393 -0.506 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001378209967 898275401 /nfs/dbraw/zinc/27/54/01/898275401.db2.gz YJCJGRDHNSPMFZ-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001378209967 898275414 /nfs/dbraw/zinc/27/54/14/898275414.db2.gz YJCJGRDHNSPMFZ-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC ZINC001378241159 898285517 /nfs/dbraw/zinc/28/55/17/898285517.db2.gz FPXHUKKBSGVEOB-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+]CC(=O)NC ZINC001378286310 898302969 /nfs/dbraw/zinc/30/29/69/898302969.db2.gz MDZONXREOOXKAA-NSHDSACASA-N 2 1 281.360 -0.578 20 0 CBADMP C[C@H]([NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1)C(N)=O ZINC001378383702 898325401 /nfs/dbraw/zinc/32/54/01/898325401.db2.gz SAKXKRRYSPXECB-RYUDHWBXSA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001378429179 898330017 /nfs/dbraw/zinc/33/00/17/898330017.db2.gz IBRNEYHISYDTIA-IAQYHMDHSA-N 2 1 296.415 -0.441 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001378502085 898338277 /nfs/dbraw/zinc/33/82/77/898338277.db2.gz VVLQQMVGSNKOPM-CQSZACIVSA-N 2 1 293.371 -0.449 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001378758884 898405064 /nfs/dbraw/zinc/40/50/64/898405064.db2.gz QEGOPHGECWOMDI-NEPJUHHUSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001378758884 898405071 /nfs/dbraw/zinc/40/50/71/898405071.db2.gz QEGOPHGECWOMDI-NEPJUHHUSA-N 2 1 294.403 -0.154 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCO)C1 ZINC001378765126 898406272 /nfs/dbraw/zinc/40/62/72/898406272.db2.gz QDMOXYKUKIOWQK-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001378779557 898408790 /nfs/dbraw/zinc/40/87/90/898408790.db2.gz XCRZFOIIONZYGC-MNOVXSKESA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)C[NH+]1CCCC1 ZINC001378854952 898423165 /nfs/dbraw/zinc/42/31/65/898423165.db2.gz RBJARBWBMMBNNW-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001378844750 898424370 /nfs/dbraw/zinc/42/43/70/898424370.db2.gz QPCBJPUSBJVZGH-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001378861996 898426186 /nfs/dbraw/zinc/42/61/86/898426186.db2.gz VKEYQEKQGRLORY-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001378862008 898426670 /nfs/dbraw/zinc/42/66/70/898426670.db2.gz VKEYQEKQGRLORY-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnn(C)n1 ZINC001378997548 898441350 /nfs/dbraw/zinc/44/13/50/898441350.db2.gz XGHFTEFQIHWDIO-ZDUSSCGKSA-N 2 1 296.419 -0.003 20 0 CBADMP CC(C)[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CCO ZINC001379004637 898441572 /nfs/dbraw/zinc/44/15/72/898441572.db2.gz QYRFRKMZSKSQMQ-CYBMUJFWSA-N 2 1 287.404 -0.569 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CNC(=O)CC[NH+](C)C ZINC001454736701 914253391 /nfs/dbraw/zinc/25/33/91/914253391.db2.gz DYUBNAVBODCDKA-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001379081357 898462420 /nfs/dbraw/zinc/46/24/20/898462420.db2.gz GLJMCOYQBUPXOW-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP COC[C@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379081357 898462428 /nfs/dbraw/zinc/46/24/28/898462428.db2.gz GLJMCOYQBUPXOW-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP COC[C@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379081357 898462436 /nfs/dbraw/zinc/46/24/36/898462436.db2.gz GLJMCOYQBUPXOW-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001379094738 898467237 /nfs/dbraw/zinc/46/72/37/898467237.db2.gz DIXPARSDZZIYDH-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001379094738 898467255 /nfs/dbraw/zinc/46/72/55/898467255.db2.gz DIXPARSDZZIYDH-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001379094738 898467264 /nfs/dbraw/zinc/46/72/64/898467264.db2.gz DIXPARSDZZIYDH-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001379094738 898467272 /nfs/dbraw/zinc/46/72/72/898467272.db2.gz DIXPARSDZZIYDH-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CC(N)=O)C1 ZINC001379148692 898473055 /nfs/dbraw/zinc/47/30/55/898473055.db2.gz JOCLONGEUTUVTE-QWHCGFSZSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(N)=O)C1 ZINC001379148692 898473064 /nfs/dbraw/zinc/47/30/64/898473064.db2.gz JOCLONGEUTUVTE-QWHCGFSZSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(N)=O)C1 ZINC001379148692 898473072 /nfs/dbraw/zinc/47/30/72/898473072.db2.gz JOCLONGEUTUVTE-QWHCGFSZSA-N 2 1 296.415 -0.265 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001379134768 898475049 /nfs/dbraw/zinc/47/50/49/898475049.db2.gz UUCQYVPSXUPVMP-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001379134768 898475054 /nfs/dbraw/zinc/47/50/54/898475054.db2.gz UUCQYVPSXUPVMP-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379134768 898475056 /nfs/dbraw/zinc/47/50/56/898475056.db2.gz UUCQYVPSXUPVMP-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379134768 898475060 /nfs/dbraw/zinc/47/50/60/898475060.db2.gz UUCQYVPSXUPVMP-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP COC[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001379223464 898513497 /nfs/dbraw/zinc/51/34/97/898513497.db2.gz BOVVIETUJMTEQK-JQWIXIFHSA-N 2 1 284.360 -0.707 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001379263897 898527440 /nfs/dbraw/zinc/52/74/40/898527440.db2.gz GKDSZBJNRAWKIZ-LLVKDONJSA-N 2 1 297.407 -0.512 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001379263897 898527452 /nfs/dbraw/zinc/52/74/52/898527452.db2.gz GKDSZBJNRAWKIZ-LLVKDONJSA-N 2 1 297.407 -0.512 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnns2)C1 ZINC001379280510 898536595 /nfs/dbraw/zinc/53/65/95/898536595.db2.gz DGJALRQPOLEUGU-VHSXEESVSA-N 2 1 299.400 -0.944 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cccn1 ZINC001379375610 898588257 /nfs/dbraw/zinc/58/82/57/898588257.db2.gz VPJRAFKHAOTVGX-CHWSQXEVSA-N 2 1 295.387 -0.956 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)cn1 ZINC001379469433 898625644 /nfs/dbraw/zinc/62/56/44/898625644.db2.gz NKKGTVGNKIWWOB-CYBMUJFWSA-N 2 1 298.362 -0.261 20 0 CBADMP Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001379529721 898656740 /nfs/dbraw/zinc/65/67/40/898656740.db2.gz REMYUYVJVWQJMD-GFCCVEGCSA-N 2 1 296.371 -0.354 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC2CCC2)C1 ZINC001379528526 898657412 /nfs/dbraw/zinc/65/74/12/898657412.db2.gz YDVKNTJKOZGQFC-KGLIPLIRSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC2CCC2)C1 ZINC001379528526 898657419 /nfs/dbraw/zinc/65/74/19/898657419.db2.gz YDVKNTJKOZGQFC-KGLIPLIRSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccns2)C1 ZINC001379529604 898657967 /nfs/dbraw/zinc/65/79/67/898657967.db2.gz QLFCKZKBPUJANK-WDEREUQCSA-N 2 1 298.412 -0.339 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccns2)C1 ZINC001379529604 898657971 /nfs/dbraw/zinc/65/79/71/898657971.db2.gz QLFCKZKBPUJANK-WDEREUQCSA-N 2 1 298.412 -0.339 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001379563602 898669309 /nfs/dbraw/zinc/66/93/09/898669309.db2.gz IHINKFRBUXDIDT-QWRGUYRKSA-N 2 1 295.387 -0.060 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001379599633 898677061 /nfs/dbraw/zinc/67/70/61/898677061.db2.gz OACGEXLZWWUDNW-NSHDSACASA-N 2 1 293.371 -0.482 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379676152 898698999 /nfs/dbraw/zinc/69/89/99/898698999.db2.gz ZUICSXMDLNZCEH-WCQYABFASA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379676152 898699006 /nfs/dbraw/zinc/69/90/06/898699006.db2.gz ZUICSXMDLNZCEH-WCQYABFASA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379722650 898707765 /nfs/dbraw/zinc/70/77/65/898707765.db2.gz ILDBYXLDKWMFKR-WDEREUQCSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379722650 898707775 /nfs/dbraw/zinc/70/77/75/898707775.db2.gz ILDBYXLDKWMFKR-WDEREUQCSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001379743645 898715726 /nfs/dbraw/zinc/71/57/26/898715726.db2.gz QGXVBDSYMVYZGK-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)CC(=O)N(C)C ZINC001379770329 898722729 /nfs/dbraw/zinc/72/27/29/898722729.db2.gz OPGVSCNYIMQADW-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)CC(=O)N(C)C ZINC001379770329 898722743 /nfs/dbraw/zinc/72/27/43/898722743.db2.gz OPGVSCNYIMQADW-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)CC(=O)N(C)C ZINC001379770329 898722757 /nfs/dbraw/zinc/72/27/57/898722757.db2.gz OPGVSCNYIMQADW-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001379770329 898722771 /nfs/dbraw/zinc/72/27/71/898722771.db2.gz OPGVSCNYIMQADW-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001379770329 898722784 /nfs/dbraw/zinc/72/27/84/898722784.db2.gz OPGVSCNYIMQADW-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H](C)C(N)=O ZINC001379798784 898730551 /nfs/dbraw/zinc/73/05/51/898730551.db2.gz NQSQBFZREGMVOW-GHMZBOCLSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H](C)C(N)=O ZINC001379798784 898730566 /nfs/dbraw/zinc/73/05/66/898730566.db2.gz NQSQBFZREGMVOW-GHMZBOCLSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001379798784 898730583 /nfs/dbraw/zinc/73/05/83/898730583.db2.gz NQSQBFZREGMVOW-GHMZBOCLSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001379798784 898730601 /nfs/dbraw/zinc/73/06/01/898730601.db2.gz NQSQBFZREGMVOW-GHMZBOCLSA-N 2 1 272.393 -0.363 20 0 CBADMP Cc1conc1C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001379843436 898742154 /nfs/dbraw/zinc/74/21/54/898742154.db2.gz SRCLUPFOHSAZRV-GFCCVEGCSA-N 2 1 298.387 -0.156 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)C[NH+]1CCCC1 ZINC001379970090 898778321 /nfs/dbraw/zinc/77/83/21/898778321.db2.gz KSPWBHGEUCDYGY-ZDUSSCGKSA-N 2 1 287.404 -0.784 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1C[C@@H](O)COC)[NH+](C)C ZINC001380020342 898787007 /nfs/dbraw/zinc/78/70/07/898787007.db2.gz UQBVQNLQAMWNKU-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C[C@@H](O)COC)[NH+](C)C ZINC001380020342 898787000 /nfs/dbraw/zinc/78/70/00/898787000.db2.gz UQBVQNLQAMWNKU-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001380070894 898799000 /nfs/dbraw/zinc/79/90/00/898799000.db2.gz YDMVEKCGXMYNIB-MNOVXSKESA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@@H](Cc1cnc[nH]1)C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001380174185 898824477 /nfs/dbraw/zinc/82/44/77/898824477.db2.gz JYFRMWPEIJYEOP-BMQDGWLCSA-N 2 1 293.371 -0.347 20 0 CBADMP CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380174882 898827016 /nfs/dbraw/zinc/82/70/16/898827016.db2.gz HIMSUCIIDKOKLC-HIFPTAJRSA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001380289370 898851794 /nfs/dbraw/zinc/85/17/94/898851794.db2.gz JMIHUCJVZBRERE-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001380289372 898852945 /nfs/dbraw/zinc/85/29/45/898852945.db2.gz JMIHUCJVZBRERE-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001380285882 898853421 /nfs/dbraw/zinc/85/34/21/898853421.db2.gz RFEPRVKXDZSNKU-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001380526359 898890036 /nfs/dbraw/zinc/89/00/36/898890036.db2.gz KKKWAHDUZYXEIL-UKRRQHHQSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001380526359 898890053 /nfs/dbraw/zinc/89/00/53/898890053.db2.gz KKKWAHDUZYXEIL-UKRRQHHQSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001380526359 898890067 /nfs/dbraw/zinc/89/00/67/898890067.db2.gz KKKWAHDUZYXEIL-UKRRQHHQSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001380526359 898890076 /nfs/dbraw/zinc/89/00/76/898890076.db2.gz KKKWAHDUZYXEIL-UKRRQHHQSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001380689479 898933981 /nfs/dbraw/zinc/93/39/81/898933981.db2.gz PSYWWPWNBJWWBQ-RYUDHWBXSA-N 2 1 284.404 -0.504 20 0 CBADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001380704304 898937453 /nfs/dbraw/zinc/93/74/53/898937453.db2.gz NCHWYHFAWHSFDB-FRRDWIJNSA-N 2 1 294.399 -0.783 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC(N)=O ZINC001380757838 898946141 /nfs/dbraw/zinc/94/61/41/898946141.db2.gz NNFAASODMPHRHW-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC(N)=O ZINC001380757838 898946148 /nfs/dbraw/zinc/94/61/48/898946148.db2.gz NNFAASODMPHRHW-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001380757838 898946155 /nfs/dbraw/zinc/94/61/55/898946155.db2.gz NNFAASODMPHRHW-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001380757838 898946164 /nfs/dbraw/zinc/94/61/64/898946164.db2.gz NNFAASODMPHRHW-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(N)=O ZINC001380757837 898947076 /nfs/dbraw/zinc/94/70/76/898947076.db2.gz NNFAASODMPHRHW-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(N)=O ZINC001380757837 898947088 /nfs/dbraw/zinc/94/70/88/898947088.db2.gz NNFAASODMPHRHW-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001380757837 898947100 /nfs/dbraw/zinc/94/71/00/898947100.db2.gz NNFAASODMPHRHW-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001380757837 898947111 /nfs/dbraw/zinc/94/71/11/898947111.db2.gz NNFAASODMPHRHW-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001380784430 898948817 /nfs/dbraw/zinc/94/88/17/898948817.db2.gz ADZUJXXZIVKKTD-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)N(C)C(=O)CC[NH+](C)C ZINC001380846226 898960029 /nfs/dbraw/zinc/96/00/29/898960029.db2.gz FNDHWTOVJRBFFF-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001380897876 898966426 /nfs/dbraw/zinc/96/64/26/898966426.db2.gz QJFJXUHMSBMRHB-QWHCGFSZSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCO)C2)CC[N@H+]1C ZINC001381045175 898989156 /nfs/dbraw/zinc/98/91/56/898989156.db2.gz NPUJXDGFQRIEOR-NFAWXSAZSA-N 2 1 299.415 -0.738 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)[C@@H](C)C1 ZINC001381169048 899006071 /nfs/dbraw/zinc/00/60/71/899006071.db2.gz IAFIGMRGWLWPHV-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)[C@@H](C)C1 ZINC001381169048 899006085 /nfs/dbraw/zinc/00/60/85/899006085.db2.gz IAFIGMRGWLWPHV-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC001381169048 899006100 /nfs/dbraw/zinc/00/61/00/899006100.db2.gz IAFIGMRGWLWPHV-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC001381169048 899006110 /nfs/dbraw/zinc/00/61/10/899006110.db2.gz IAFIGMRGWLWPHV-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001381277580 899022042 /nfs/dbraw/zinc/02/20/42/899022042.db2.gz DUVFWQWJQWHRHI-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001381304481 899026563 /nfs/dbraw/zinc/02/65/63/899026563.db2.gz WTOWAGKJDDJKAL-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001381331563 899034698 /nfs/dbraw/zinc/03/46/98/899034698.db2.gz NTFGSQRZNQIAKD-HTAVTVPLSA-N 2 1 282.388 -0.560 20 0 CBADMP COCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001381509959 899065278 /nfs/dbraw/zinc/06/52/78/899065278.db2.gz TWTNBEDPHGVMSX-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001381509959 899065295 /nfs/dbraw/zinc/06/52/95/899065295.db2.gz TWTNBEDPHGVMSX-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001381509959 899065311 /nfs/dbraw/zinc/06/53/11/899065311.db2.gz TWTNBEDPHGVMSX-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001381509959 899065322 /nfs/dbraw/zinc/06/53/22/899065322.db2.gz TWTNBEDPHGVMSX-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC(=O)N(C)C ZINC001381520064 899069188 /nfs/dbraw/zinc/06/91/88/899069188.db2.gz WLQHIDSGHAKYIV-YNEHKIRRSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CC(=O)N(C)C ZINC001381520064 899069204 /nfs/dbraw/zinc/06/92/04/899069204.db2.gz WLQHIDSGHAKYIV-YNEHKIRRSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CC(=O)N(C)C ZINC001381520064 899069218 /nfs/dbraw/zinc/06/92/18/899069218.db2.gz WLQHIDSGHAKYIV-YNEHKIRRSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CC(=O)N(C)C ZINC001381520064 899069233 /nfs/dbraw/zinc/06/92/33/899069233.db2.gz WLQHIDSGHAKYIV-YNEHKIRRSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)[C@@H]1CCNC1=O ZINC001381535949 899077319 /nfs/dbraw/zinc/07/73/19/899077319.db2.gz NOAGRJATTDETRF-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)[C@@H]1CCNC1=O ZINC001381535949 899077333 /nfs/dbraw/zinc/07/73/33/899077333.db2.gz NOAGRJATTDETRF-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001381535949 899077341 /nfs/dbraw/zinc/07/73/41/899077341.db2.gz NOAGRJATTDETRF-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)CC(=O)N1CCC1 ZINC001381597097 899090202 /nfs/dbraw/zinc/09/02/02/899090202.db2.gz FNZSZCHXZXKEJP-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)CC(=O)N1CCC1 ZINC001381597097 899090218 /nfs/dbraw/zinc/09/02/18/899090218.db2.gz FNZSZCHXZXKEJP-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)CC(=O)N1CCC1 ZINC001381597097 899090234 /nfs/dbraw/zinc/09/02/34/899090234.db2.gz FNZSZCHXZXKEJP-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N1CCC1 ZINC001381597097 899090250 /nfs/dbraw/zinc/09/02/50/899090250.db2.gz FNZSZCHXZXKEJP-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)CC(N)=O ZINC001381615214 899094046 /nfs/dbraw/zinc/09/40/46/899094046.db2.gz BWCPCJDHOWEKBX-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)CC(N)=O ZINC001381615214 899094062 /nfs/dbraw/zinc/09/40/62/899094062.db2.gz BWCPCJDHOWEKBX-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)NC1CC1 ZINC001381623564 899094506 /nfs/dbraw/zinc/09/45/06/899094506.db2.gz VLBAWBFBHSGGFB-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)NC1CC1 ZINC001381623564 899094516 /nfs/dbraw/zinc/09/45/16/899094516.db2.gz VLBAWBFBHSGGFB-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)NC1CC1 ZINC001381623564 899094531 /nfs/dbraw/zinc/09/45/31/899094531.db2.gz VLBAWBFBHSGGFB-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)NC1CC1 ZINC001381623564 899094546 /nfs/dbraw/zinc/09/45/46/899094546.db2.gz VLBAWBFBHSGGFB-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001381618508 899098653 /nfs/dbraw/zinc/09/86/53/899098653.db2.gz KEHSYLSSUJUKBK-MNOVXSKESA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001381618508 899098666 /nfs/dbraw/zinc/09/86/66/899098666.db2.gz KEHSYLSSUJUKBK-MNOVXSKESA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001381618508 899098680 /nfs/dbraw/zinc/09/86/80/899098680.db2.gz KEHSYLSSUJUKBK-MNOVXSKESA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001381618508 899098694 /nfs/dbraw/zinc/09/86/94/899098694.db2.gz KEHSYLSSUJUKBK-MNOVXSKESA-N 2 1 270.377 -0.879 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001381998102 899139218 /nfs/dbraw/zinc/13/92/18/899139218.db2.gz RNIPVNYCTGKVDN-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001382121557 899160665 /nfs/dbraw/zinc/16/06/65/899160665.db2.gz LYIYHNNNHYHYTE-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001382123737 899161160 /nfs/dbraw/zinc/16/11/60/899161160.db2.gz PKIMGGMRCFYMTQ-RWMBFGLXSA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001382119984 899161382 /nfs/dbraw/zinc/16/13/82/899161382.db2.gz KSHDBKZOROOWTB-NSHDSACASA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001382121048 899161426 /nfs/dbraw/zinc/16/14/26/899161426.db2.gz MELPWHRHMMQFDO-DGCLKSJQSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001382121048 899161429 /nfs/dbraw/zinc/16/14/29/899161429.db2.gz MELPWHRHMMQFDO-DGCLKSJQSA-N 2 1 294.403 -0.154 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCC2CC2)C1 ZINC001382196790 899190002 /nfs/dbraw/zinc/19/00/02/899190002.db2.gz UDXQZQJXVOJQNM-QWHCGFSZSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCC2CC2)C1 ZINC001382196790 899189998 /nfs/dbraw/zinc/18/99/98/899189998.db2.gz UDXQZQJXVOJQNM-QWHCGFSZSA-N 2 1 285.388 -0.816 20 0 CBADMP Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)cn1 ZINC001382232993 899200954 /nfs/dbraw/zinc/20/09/54/899200954.db2.gz GMQYSUQSOOXGBD-CYBMUJFWSA-N 2 1 295.387 -0.697 20 0 CBADMP Cc1cnc(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)cn1 ZINC001382232995 899202265 /nfs/dbraw/zinc/20/22/65/899202265.db2.gz GMQYSUQSOOXGBD-ZDUSSCGKSA-N 2 1 295.387 -0.697 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CCOCC1 ZINC001382254737 899213793 /nfs/dbraw/zinc/21/37/93/899213793.db2.gz YZHDSNJAJZPSCQ-UONOGXRCSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(C)C)C1 ZINC001382283350 899232446 /nfs/dbraw/zinc/23/24/46/899232446.db2.gz MRCGYZBEHXFMQM-QWHCGFSZSA-N 2 1 287.404 -0.570 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(C)C)C1 ZINC001382283350 899232461 /nfs/dbraw/zinc/23/24/61/899232461.db2.gz MRCGYZBEHXFMQM-QWHCGFSZSA-N 2 1 287.404 -0.570 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(C)C)C1 ZINC001382283351 899233374 /nfs/dbraw/zinc/23/33/74/899233374.db2.gz MRCGYZBEHXFMQM-STQMWFEESA-N 2 1 287.404 -0.570 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(C)C)C1 ZINC001382283351 899233384 /nfs/dbraw/zinc/23/33/84/899233384.db2.gz MRCGYZBEHXFMQM-STQMWFEESA-N 2 1 287.404 -0.570 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@@H](C)O ZINC001382462640 899306790 /nfs/dbraw/zinc/30/67/90/899306790.db2.gz QARVTUSXXMRMTE-CHWSQXEVSA-N 2 1 298.387 -0.677 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[N@H+](C)C[C@@H](C)O ZINC001382462640 899306802 /nfs/dbraw/zinc/30/68/02/899306802.db2.gz QARVTUSXXMRMTE-CHWSQXEVSA-N 2 1 298.387 -0.677 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001385886845 899598646 /nfs/dbraw/zinc/59/86/46/899598646.db2.gz LEQUTKZLXVTKDB-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001386478201 899668547 /nfs/dbraw/zinc/66/85/47/899668547.db2.gz KTEXWHVOVHIMKM-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001387099814 899761945 /nfs/dbraw/zinc/76/19/45/899761945.db2.gz AXYZPXFVJOCFMU-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH+](CC)CC(=O)N(C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001387671988 899808340 /nfs/dbraw/zinc/80/83/40/899808340.db2.gz ZAOSEBRHOPHCBY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](C(=O)NC1CN(C(=O)CC[N@@H+](C)CC)C1)[NH+](C)C ZINC001387781467 899828998 /nfs/dbraw/zinc/82/89/98/899828998.db2.gz SSFKGMBFPGXBOH-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001387805629 899835457 /nfs/dbraw/zinc/83/54/57/899835457.db2.gz ZROVVHHVAVVCGU-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001387805629 899835465 /nfs/dbraw/zinc/83/54/65/899835465.db2.gz ZROVVHHVAVVCGU-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001387805629 899835473 /nfs/dbraw/zinc/83/54/73/899835473.db2.gz ZROVVHHVAVVCGU-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001388414733 899888038 /nfs/dbraw/zinc/88/80/38/899888038.db2.gz YGRCKYRURMTXCU-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001389326015 899993419 /nfs/dbraw/zinc/99/34/19/899993419.db2.gz IFYDDQIUXSVZTE-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)Cn1ccnc1 ZINC001389416135 900008140 /nfs/dbraw/zinc/00/81/40/900008140.db2.gz FJOXXFGBRYIZRP-LBPRGKRZSA-N 2 1 295.387 -0.154 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001389854426 900084135 /nfs/dbraw/zinc/08/41/35/900084135.db2.gz AWBFQXGHHOLFDZ-CYDGBPFRSA-N 2 1 296.415 -0.029 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001389903928 900088975 /nfs/dbraw/zinc/08/89/75/900088975.db2.gz YDOHJQZGWTVQRT-JOCQHMNTSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001389932652 900096119 /nfs/dbraw/zinc/09/61/19/900096119.db2.gz RCIJWGWFLAWLKN-YHWZYXNKSA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001390070215 900112615 /nfs/dbraw/zinc/11/26/15/900112615.db2.gz UAAYDWYRAPUACY-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001390070215 900112627 /nfs/dbraw/zinc/11/26/27/900112627.db2.gz UAAYDWYRAPUACY-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001390074983 900112669 /nfs/dbraw/zinc/11/26/69/900112669.db2.gz VKBPZQBQNIBKHT-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001390074983 900112680 /nfs/dbraw/zinc/11/26/80/900112680.db2.gz VKBPZQBQNIBKHT-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001390074983 900112691 /nfs/dbraw/zinc/11/26/91/900112691.db2.gz VKBPZQBQNIBKHT-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001390074983 900112695 /nfs/dbraw/zinc/11/26/95/900112695.db2.gz VKBPZQBQNIBKHT-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21)[NH+](C)C ZINC001390223398 900126411 /nfs/dbraw/zinc/12/64/11/900126411.db2.gz BJEBPDMIYMULEM-GCHJQGSQSA-N 2 1 282.388 -0.753 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21)[NH+](C)C ZINC001390223398 900126425 /nfs/dbraw/zinc/12/64/25/900126425.db2.gz BJEBPDMIYMULEM-GCHJQGSQSA-N 2 1 282.388 -0.753 20 0 CBADMP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001390374003 900148501 /nfs/dbraw/zinc/14/85/01/900148501.db2.gz PLDQAUBYVJVLDR-JHJVBQTASA-N 2 1 298.431 -0.053 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001390411555 900153280 /nfs/dbraw/zinc/15/32/80/900153280.db2.gz XLRFFAFMLJERFG-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001390457624 900165107 /nfs/dbraw/zinc/16/51/07/900165107.db2.gz INBCFWYZXQGHTD-ZYHUDNBSSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001390457624 900165117 /nfs/dbraw/zinc/16/51/17/900165117.db2.gz INBCFWYZXQGHTD-ZYHUDNBSSA-N 2 1 280.376 -0.496 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCO)C2 ZINC001390482896 900174308 /nfs/dbraw/zinc/17/43/08/900174308.db2.gz OIWUEDPYIXHUPP-ZYHUDNBSSA-N 2 1 280.372 -0.159 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nccn1C ZINC001390522316 900179544 /nfs/dbraw/zinc/17/95/44/900179544.db2.gz QRKWMABWQPPVMZ-NWDGAFQWSA-N 2 1 279.388 -0.034 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nccn1C ZINC001390522316 900179549 /nfs/dbraw/zinc/17/95/49/900179549.db2.gz QRKWMABWQPPVMZ-NWDGAFQWSA-N 2 1 279.388 -0.034 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCn1cccn1 ZINC001390524269 900183084 /nfs/dbraw/zinc/18/30/84/900183084.db2.gz XBKVKPSVCYAUHQ-CHWSQXEVSA-N 2 1 279.388 -0.071 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001390535298 900183266 /nfs/dbraw/zinc/18/32/66/900183266.db2.gz DGKKPPNMPQYYPX-NWDGAFQWSA-N 2 1 286.420 -0.102 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)CC1 ZINC001390619579 900199581 /nfs/dbraw/zinc/19/95/81/900199581.db2.gz FWTNBIOJGLBDSR-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)CC1 ZINC001390619579 900199587 /nfs/dbraw/zinc/19/95/87/900199587.db2.gz FWTNBIOJGLBDSR-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H]([NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001390720595 900214001 /nfs/dbraw/zinc/21/40/01/900214001.db2.gz XYQOLAOXABDKIQ-ZYHUDNBSSA-N 2 1 295.387 -0.060 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001390720738 900215945 /nfs/dbraw/zinc/21/59/45/900215945.db2.gz ZPJWFDYNXIFRKU-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001390762776 900240362 /nfs/dbraw/zinc/24/03/62/900240362.db2.gz BBWGSQOKQBKUHY-FRRDWIJNSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001390762776 900240375 /nfs/dbraw/zinc/24/03/75/900240375.db2.gz BBWGSQOKQBKUHY-FRRDWIJNSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001390762776 900240388 /nfs/dbraw/zinc/24/03/88/900240388.db2.gz BBWGSQOKQBKUHY-FRRDWIJNSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001390762776 900240395 /nfs/dbraw/zinc/24/03/95/900240395.db2.gz BBWGSQOKQBKUHY-FRRDWIJNSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001390818823 900254039 /nfs/dbraw/zinc/25/40/39/900254039.db2.gz NUBPSKWDBLHHRR-CHWSQXEVSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001390818823 900254050 /nfs/dbraw/zinc/25/40/50/900254050.db2.gz NUBPSKWDBLHHRR-CHWSQXEVSA-N 2 1 298.431 -0.149 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@H]1CCN(C)C1=O ZINC001390846267 900265211 /nfs/dbraw/zinc/26/52/11/900265211.db2.gz VFMIUETYECJUJV-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@H]1CCN(C)C1=O ZINC001390846267 900265225 /nfs/dbraw/zinc/26/52/25/900265225.db2.gz VFMIUETYECJUJV-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001390846267 900265239 /nfs/dbraw/zinc/26/52/39/900265239.db2.gz VFMIUETYECJUJV-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001390846267 900265252 /nfs/dbraw/zinc/26/52/52/900265252.db2.gz VFMIUETYECJUJV-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC(C)N(C)C(=O)CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001390857712 900267553 /nfs/dbraw/zinc/26/75/53/900267553.db2.gz COCNFNDOQMMOEW-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccnn1C ZINC001390858671 900269273 /nfs/dbraw/zinc/26/92/73/900269273.db2.gz FWJZCJBCXZTFLO-GFCCVEGCSA-N 2 1 279.388 -0.080 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCN(C)C1=O ZINC001391022800 900293164 /nfs/dbraw/zinc/29/31/64/900293164.db2.gz MHQFOZKJUFUUBU-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(C)C1=O ZINC001391022800 900293176 /nfs/dbraw/zinc/29/31/76/900293176.db2.gz MHQFOZKJUFUUBU-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C)C1=O ZINC001391022800 900293189 /nfs/dbraw/zinc/29/31/89/900293189.db2.gz MHQFOZKJUFUUBU-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCN(C)C1=O ZINC001391022813 900294194 /nfs/dbraw/zinc/29/41/94/900294194.db2.gz MHQFOZKJUFUUBU-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(C)C1=O ZINC001391022813 900294204 /nfs/dbraw/zinc/29/42/04/900294204.db2.gz MHQFOZKJUFUUBU-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C)C1=O ZINC001391022813 900294217 /nfs/dbraw/zinc/29/42/17/900294217.db2.gz MHQFOZKJUFUUBU-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001391071080 900306132 /nfs/dbraw/zinc/30/61/32/900306132.db2.gz KXFKHVYXJOSJCD-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001391071080 900306140 /nfs/dbraw/zinc/30/61/40/900306140.db2.gz KXFKHVYXJOSJCD-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001391353011 900360004 /nfs/dbraw/zinc/36/00/04/900360004.db2.gz JXXSIZNJGUMAHP-LLVKDONJSA-N 2 1 270.377 -0.796 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[C@H](C[N@H+](C)CC(N)=O)C2)CCC1 ZINC001391349093 900362211 /nfs/dbraw/zinc/36/22/11/900362211.db2.gz QMYMGWFTRUBJFN-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)CC(N)=O)C1 ZINC001391358121 900363619 /nfs/dbraw/zinc/36/36/19/900363619.db2.gz XYMLCGIQYDGMSJ-LBPRGKRZSA-N 2 1 284.404 -0.406 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001391358121 900363627 /nfs/dbraw/zinc/36/36/27/900363627.db2.gz XYMLCGIQYDGMSJ-LBPRGKRZSA-N 2 1 284.404 -0.406 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001391358121 900363634 /nfs/dbraw/zinc/36/36/34/900363634.db2.gz XYMLCGIQYDGMSJ-LBPRGKRZSA-N 2 1 284.404 -0.406 20 0 CBADMP CC[C@@H](C(=O)NCC1C[NH+]([C@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001391503854 900397187 /nfs/dbraw/zinc/39/71/87/900397187.db2.gz GGFGMWIJQMVNFT-YPMHNXCESA-N 2 1 298.431 -0.149 20 0 CBADMP COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001391540126 900405389 /nfs/dbraw/zinc/40/53/89/900405389.db2.gz XWOQFFOOKJZKRR-MELADBBJSA-N 2 1 299.415 -0.381 20 0 CBADMP COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001391540126 900405394 /nfs/dbraw/zinc/40/53/94/900405394.db2.gz XWOQFFOOKJZKRR-MELADBBJSA-N 2 1 299.415 -0.381 20 0 CBADMP COC[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C(C)C ZINC001391540126 900405398 /nfs/dbraw/zinc/40/53/98/900405398.db2.gz XWOQFFOOKJZKRR-MELADBBJSA-N 2 1 299.415 -0.381 20 0 CBADMP COC[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C(C)C ZINC001391540126 900405403 /nfs/dbraw/zinc/40/54/03/900405403.db2.gz XWOQFFOOKJZKRR-MELADBBJSA-N 2 1 299.415 -0.381 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001391591432 900413070 /nfs/dbraw/zinc/41/30/70/900413070.db2.gz ARGDNBXAQLCXNJ-OCCSQVGLSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001391591432 900413077 /nfs/dbraw/zinc/41/30/77/900413077.db2.gz ARGDNBXAQLCXNJ-OCCSQVGLSA-N 2 1 298.431 -0.149 20 0 CBADMP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001391632519 900420349 /nfs/dbraw/zinc/42/03/49/900420349.db2.gz PWEXAPDEOORNON-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001391632519 900420355 /nfs/dbraw/zinc/42/03/55/900420355.db2.gz PWEXAPDEOORNON-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001391632519 900420362 /nfs/dbraw/zinc/42/03/62/900420362.db2.gz PWEXAPDEOORNON-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391632519 900420367 /nfs/dbraw/zinc/42/03/67/900420367.db2.gz PWEXAPDEOORNON-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CCCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001391618961 900422507 /nfs/dbraw/zinc/42/25/07/900422507.db2.gz HYVOIGIHWZTHAH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001391618961 900422513 /nfs/dbraw/zinc/42/25/13/900422513.db2.gz HYVOIGIHWZTHAH-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001391645564 900426161 /nfs/dbraw/zinc/42/61/61/900426161.db2.gz CREHKSZFRQMUPS-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391645564 900426163 /nfs/dbraw/zinc/42/61/63/900426163.db2.gz CREHKSZFRQMUPS-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391645564 900426169 /nfs/dbraw/zinc/42/61/69/900426169.db2.gz CREHKSZFRQMUPS-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391645564 900426173 /nfs/dbraw/zinc/42/61/73/900426173.db2.gz CREHKSZFRQMUPS-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001391697843 900434546 /nfs/dbraw/zinc/43/45/46/900434546.db2.gz WLEZCOFLMZHCNU-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001391697841 900434975 /nfs/dbraw/zinc/43/49/75/900434975.db2.gz WLEZCOFLMZHCNU-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP C[NH+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001456235826 914447358 /nfs/dbraw/zinc/44/73/58/914447358.db2.gz CMEXRYGWXHUXPH-LBPRGKRZSA-N 2 1 282.388 -0.641 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCO)CCCC2)C1 ZINC001392020070 900490676 /nfs/dbraw/zinc/49/06/76/900490676.db2.gz AXGIMENGGMXALW-ZDUSSCGKSA-N 2 1 299.415 -0.282 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCO)CCCC2)C1 ZINC001392020070 900490680 /nfs/dbraw/zinc/49/06/80/900490680.db2.gz AXGIMENGGMXALW-ZDUSSCGKSA-N 2 1 299.415 -0.282 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001392048206 900500789 /nfs/dbraw/zinc/50/07/89/900500789.db2.gz GTMXULFWWXNSDJ-GHMZBOCLSA-N 2 1 295.391 -0.759 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001392048206 900500793 /nfs/dbraw/zinc/50/07/93/900500793.db2.gz GTMXULFWWXNSDJ-GHMZBOCLSA-N 2 1 295.391 -0.759 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001392255292 900542092 /nfs/dbraw/zinc/54/20/92/900542092.db2.gz YSVVINSTRDKZTF-VXGBXAGGSA-N 2 1 284.404 -0.586 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001392354401 900577605 /nfs/dbraw/zinc/57/76/05/900577605.db2.gz OTDYDWZTDXQCEH-NEPJUHHUSA-N 2 1 293.371 -0.449 20 0 CBADMP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)no1 ZINC001392387748 900598110 /nfs/dbraw/zinc/59/81/10/900598110.db2.gz AKWWJTDHTJJBDB-GFCCVEGCSA-N 2 1 284.360 -0.499 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]C[C@H](C)O ZINC001392410554 900608554 /nfs/dbraw/zinc/60/85/54/900608554.db2.gz HQHNTJMWEHPFDL-NWDGAFQWSA-N 2 1 298.387 -0.546 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)[C@H]1CCC[N@H+]1C ZINC001392437388 900617779 /nfs/dbraw/zinc/61/77/79/900617779.db2.gz BWMOCRUVIUQHQX-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001392529825 900648811 /nfs/dbraw/zinc/64/88/11/900648811.db2.gz JYVICJCKOIXBFT-ZYHUDNBSSA-N 2 1 284.360 -0.707 20 0 CBADMP C[C@H](O)C[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001392598975 900674239 /nfs/dbraw/zinc/67/42/39/900674239.db2.gz UPWXGCZKJQHYND-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001392599774 900675473 /nfs/dbraw/zinc/67/54/73/900675473.db2.gz PALNEBMYAKKUCI-WCQYABFASA-N 2 1 296.419 -0.004 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001392721318 900710419 /nfs/dbraw/zinc/71/04/19/900710419.db2.gz FAEMBZHDDFJCEK-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001392721318 900710426 /nfs/dbraw/zinc/71/04/26/900710426.db2.gz FAEMBZHDDFJCEK-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392806516 900726842 /nfs/dbraw/zinc/72/68/42/900726842.db2.gz XUFNZLIHKSTZEK-AAEUAGOBSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392791145 900727439 /nfs/dbraw/zinc/72/74/39/900727439.db2.gz DKSZUQXWGUGNDH-JQWIXIFHSA-N 2 1 282.388 -0.702 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C[C@H](O)COC)[NH+](C)C ZINC001392854189 900742795 /nfs/dbraw/zinc/74/27/95/900742795.db2.gz UQBVQNLQAMWNKU-AGIUHOORSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1C[C@H](O)COC)[NH+](C)C ZINC001392854189 900742800 /nfs/dbraw/zinc/74/28/00/900742800.db2.gz UQBVQNLQAMWNKU-AGIUHOORSA-N 2 1 287.404 -0.476 20 0 CBADMP NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001392937730 900767098 /nfs/dbraw/zinc/76/70/98/900767098.db2.gz CLAPSHWCMFRXIS-NWDGAFQWSA-N 2 1 294.399 -0.273 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCn3cncn3)CC2)C1 ZINC001392957401 900769638 /nfs/dbraw/zinc/76/96/38/900769638.db2.gz VVCGMLZXUIXVAM-GFCCVEGCSA-N 2 1 292.387 -0.532 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001393055963 900786817 /nfs/dbraw/zinc/78/68/17/900786817.db2.gz QYSYQBWAPAYZGQ-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP Cn1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)CC[NH+](C)C)n1 ZINC001393059091 900787823 /nfs/dbraw/zinc/78/78/23/900787823.db2.gz VNZLREARPWZBDG-ZDUSSCGKSA-N 2 1 294.403 -0.153 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001393055970 900788258 /nfs/dbraw/zinc/78/82/58/900788258.db2.gz QYSYQBWAPAYZGQ-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001393070540 900788964 /nfs/dbraw/zinc/78/89/64/900788964.db2.gz LYQLUWQGJVLJAF-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001393070540 900788969 /nfs/dbraw/zinc/78/89/69/900788969.db2.gz LYQLUWQGJVLJAF-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001393164065 900800556 /nfs/dbraw/zinc/80/05/56/900800556.db2.gz PODCRVLOTVXHJJ-DOMZBBRYSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001393165274 900800579 /nfs/dbraw/zinc/80/05/79/900800579.db2.gz PODCRVLOTVXHJJ-SWLSCSKDSA-N 2 1 296.415 -0.358 20 0 CBADMP CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001393213411 900802076 /nfs/dbraw/zinc/80/20/76/900802076.db2.gz PWDBKVLKTFTPHT-GFCCVEGCSA-N 2 1 285.388 -0.408 20 0 CBADMP CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001393213411 900802085 /nfs/dbraw/zinc/80/20/85/900802085.db2.gz PWDBKVLKTFTPHT-GFCCVEGCSA-N 2 1 285.388 -0.408 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@]2(O)CC[NH+](CCF)C2)C1 ZINC001393280586 900826215 /nfs/dbraw/zinc/82/62/15/900826215.db2.gz FNWDWNYTCSMXAW-TZMCWYRMSA-N 2 1 287.379 -0.149 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@]2(O)CC[NH+](CCF)C2)C1 ZINC001393280586 900826234 /nfs/dbraw/zinc/82/62/34/900826234.db2.gz FNWDWNYTCSMXAW-TZMCWYRMSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@]2(O)CC[N@H+](CCF)C2)C1 ZINC001393280586 900826237 /nfs/dbraw/zinc/82/62/37/900826237.db2.gz FNWDWNYTCSMXAW-TZMCWYRMSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)C1 ZINC001393280586 900826251 /nfs/dbraw/zinc/82/62/51/900826251.db2.gz FNWDWNYTCSMXAW-TZMCWYRMSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC([NH2+]C3COC3)C2)CC[N@@H+]1C ZINC001456520065 914481564 /nfs/dbraw/zinc/48/15/64/914481564.db2.gz RJFXRTSNEGBRTP-QWRGUYRKSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC([NH2+]C3COC3)C2)CC[N@H+]1C ZINC001456520065 914481573 /nfs/dbraw/zinc/48/15/73/914481573.db2.gz RJFXRTSNEGBRTP-QWRGUYRKSA-N 2 1 267.373 -0.084 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC(N)=O)C2 ZINC001393373517 900850413 /nfs/dbraw/zinc/85/04/13/900850413.db2.gz VVWQQJPMBMJJTG-XQQFMLRXSA-N 2 1 296.415 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(N)=O)C2 ZINC001393373517 900850421 /nfs/dbraw/zinc/85/04/21/900850421.db2.gz VVWQQJPMBMJJTG-XQQFMLRXSA-N 2 1 296.415 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001393373517 900850427 /nfs/dbraw/zinc/85/04/27/900850427.db2.gz VVWQQJPMBMJJTG-XQQFMLRXSA-N 2 1 296.415 -0.219 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001393393567 900851690 /nfs/dbraw/zinc/85/16/90/900851690.db2.gz HJHZWNVPWSAUQN-QWHCGFSZSA-N 2 1 298.431 -0.243 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001393451601 900858475 /nfs/dbraw/zinc/85/84/75/900858475.db2.gz ABSJBMAOCDUJDU-OAHLLOKOSA-N 2 1 299.415 -0.592 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@]1(CO)CCC[N@H+](CCCO)C1 ZINC001393451601 900858479 /nfs/dbraw/zinc/85/84/79/900858479.db2.gz ABSJBMAOCDUJDU-OAHLLOKOSA-N 2 1 299.415 -0.592 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1nncn1C ZINC001393744880 900898584 /nfs/dbraw/zinc/89/85/84/900898584.db2.gz GAMBLXNHEZDIOM-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)C1 ZINC001393748629 900901800 /nfs/dbraw/zinc/90/18/00/900901800.db2.gz QSEJZFUQYJZVLA-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001393798660 900909122 /nfs/dbraw/zinc/90/91/22/900909122.db2.gz UUEUGJZLPJVGIY-AAEUAGOBSA-N 2 1 296.415 -0.156 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001393826548 900913046 /nfs/dbraw/zinc/91/30/46/900913046.db2.gz BNALRQDHZVUMHF-WFASDCNBSA-N 2 1 296.415 -0.297 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001393854816 900914658 /nfs/dbraw/zinc/91/46/58/900914658.db2.gz RQGGHBPVVXKKHK-UHFFFAOYSA-N 2 1 287.404 -0.736 20 0 CBADMP CN(CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001393883505 900923121 /nfs/dbraw/zinc/92/31/21/900923121.db2.gz KNZLZXDAQROWQE-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001393883505 900923135 /nfs/dbraw/zinc/92/31/35/900923135.db2.gz KNZLZXDAQROWQE-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001393883505 900923144 /nfs/dbraw/zinc/92/31/44/900923144.db2.gz KNZLZXDAQROWQE-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001393883505 900923161 /nfs/dbraw/zinc/92/31/61/900923161.db2.gz KNZLZXDAQROWQE-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001393883505 900923172 /nfs/dbraw/zinc/92/31/72/900923172.db2.gz KNZLZXDAQROWQE-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001393958084 900938903 /nfs/dbraw/zinc/93/89/03/900938903.db2.gz RUZCGBBWKYWYRY-NEPJUHHUSA-N 2 1 295.387 -0.237 20 0 CBADMP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001394120250 900979986 /nfs/dbraw/zinc/97/99/86/900979986.db2.gz AROKXZWIVIODQD-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001394120250 900980004 /nfs/dbraw/zinc/98/00/04/900980004.db2.gz AROKXZWIVIODQD-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)[C@@H]1CCCNC1=O ZINC001394139339 900984732 /nfs/dbraw/zinc/98/47/32/900984732.db2.gz WCKBKDCCNLVDPB-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001394254659 901003328 /nfs/dbraw/zinc/00/33/28/901003328.db2.gz PYAXLIOZVSWNQF-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001394254648 901004625 /nfs/dbraw/zinc/00/46/25/901004625.db2.gz PYAXLIOZVSWNQF-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CC(=O)NC)CC1(C)C ZINC001394298222 901010423 /nfs/dbraw/zinc/01/04/23/901010423.db2.gz DHSYJJOHNXUUJQ-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[NH+](CC(=O)NC)CC1(C)C ZINC001394298222 901010434 /nfs/dbraw/zinc/01/04/34/901010434.db2.gz DHSYJJOHNXUUJQ-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1C[N@H+](CC(=O)NC)CC1(C)C ZINC001394298222 901010441 /nfs/dbraw/zinc/01/04/41/901010441.db2.gz DHSYJJOHNXUUJQ-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1C[N@@H+](CC(=O)NC)CC1(C)C ZINC001394298222 901010453 /nfs/dbraw/zinc/01/04/53/901010453.db2.gz DHSYJJOHNXUUJQ-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCO)C1 ZINC001394331413 901014691 /nfs/dbraw/zinc/01/46/91/901014691.db2.gz PCOSMMMIYPKGSV-AAEUAGOBSA-N 2 1 296.371 -0.611 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC([N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001394392585 901023547 /nfs/dbraw/zinc/02/35/47/901023547.db2.gz RWZLLKYBSMBKCO-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001394509826 901043971 /nfs/dbraw/zinc/04/39/71/901043971.db2.gz RLLUFNSMHAJTRJ-PWSUYJOCSA-N 2 1 295.387 -0.108 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001394536832 901046369 /nfs/dbraw/zinc/04/63/69/901046369.db2.gz FMPJNOFHUAXSMU-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001394555256 901050192 /nfs/dbraw/zinc/05/01/92/901050192.db2.gz CHTSBKVQGILNJY-JQWIXIFHSA-N 2 1 295.387 -0.108 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001394563801 901053548 /nfs/dbraw/zinc/05/35/48/901053548.db2.gz CAVLPHHBBOBHOY-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]C/C=C/Cl ZINC001394584278 901072618 /nfs/dbraw/zinc/07/26/18/901072618.db2.gz WVYUVVMJDWUDSY-UQRCUPDISA-N 2 1 275.780 -0.100 20 0 CBADMP Cc1oncc1C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001394642018 901103923 /nfs/dbraw/zinc/10/39/23/901103923.db2.gz AKDHQSLXSQDSGX-ZDUSSCGKSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1oncc1C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001394642018 901103930 /nfs/dbraw/zinc/10/39/30/901103930.db2.gz AKDHQSLXSQDSGX-ZDUSSCGKSA-N 2 1 298.387 -0.110 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC001394663066 901111664 /nfs/dbraw/zinc/11/16/64/901111664.db2.gz KNVDJWASPFYTAJ-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC001394663048 901111688 /nfs/dbraw/zinc/11/16/88/901111688.db2.gz KNVDJWASPFYTAJ-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cnns2)C1 ZINC001394658167 901112349 /nfs/dbraw/zinc/11/23/49/901112349.db2.gz VFMATGXHZWODRM-UWVGGRQHSA-N 2 1 299.400 -0.944 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cnns2)C1 ZINC001394658167 901112355 /nfs/dbraw/zinc/11/23/55/901112355.db2.gz VFMATGXHZWODRM-UWVGGRQHSA-N 2 1 299.400 -0.944 20 0 CBADMP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCOCC2)CCC[N@@H+]1CCO ZINC001394701450 901123810 /nfs/dbraw/zinc/12/38/10/901123810.db2.gz CFYXRHJRAWXESO-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCOCC2)CCC[N@H+]1CCO ZINC001394701450 901123811 /nfs/dbraw/zinc/12/38/11/901123811.db2.gz CFYXRHJRAWXESO-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001394731839 901132550 /nfs/dbraw/zinc/13/25/50/901132550.db2.gz BSBQPBJKOCTFOT-RYUDHWBXSA-N 2 1 273.377 -0.866 20 0 CBADMP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001394731839 901132555 /nfs/dbraw/zinc/13/25/55/901132555.db2.gz BSBQPBJKOCTFOT-RYUDHWBXSA-N 2 1 273.377 -0.866 20 0 CBADMP CN(C(=O)CC[NH+]1CCOCC1)C1CC([NH2+]CCO)C1 ZINC001394861591 901164797 /nfs/dbraw/zinc/16/47/97/901164797.db2.gz NZEWTRPRDKEXEM-UHFFFAOYSA-N 2 1 285.388 -0.720 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001397763505 901450794 /nfs/dbraw/zinc/45/07/94/901450794.db2.gz FNXFTWGJUZQDQQ-OLZOCXBDSA-N 2 1 296.415 -0.536 20 0 CBADMP CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001397925005 901478407 /nfs/dbraw/zinc/47/84/07/901478407.db2.gz AHYHKHXEKUTBEA-STQMWFEESA-N 2 1 296.415 -0.536 20 0 CBADMP CN(CCNC(=O)[C@H]1CC[NH+](C)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001397925005 901478410 /nfs/dbraw/zinc/47/84/10/901478410.db2.gz AHYHKHXEKUTBEA-STQMWFEESA-N 2 1 296.415 -0.536 20 0 CBADMP CN(CCNC(=O)[C@H]1CC[NH+](C)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001397925005 901478415 /nfs/dbraw/zinc/47/84/15/901478415.db2.gz AHYHKHXEKUTBEA-STQMWFEESA-N 2 1 296.415 -0.536 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001398228934 901507168 /nfs/dbraw/zinc/50/71/68/901507168.db2.gz FYLFQTKTWYAAAU-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001398228934 901507176 /nfs/dbraw/zinc/50/71/76/901507176.db2.gz FYLFQTKTWYAAAU-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001398319830 901525167 /nfs/dbraw/zinc/52/51/67/901525167.db2.gz BDHFGBIUNLZEGL-NSHDSACASA-N 2 1 270.377 -0.783 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001398319830 901525173 /nfs/dbraw/zinc/52/51/73/901525173.db2.gz BDHFGBIUNLZEGL-NSHDSACASA-N 2 1 270.377 -0.783 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001398326805 901526799 /nfs/dbraw/zinc/52/67/99/901526799.db2.gz LBOFKHXIRGEYFG-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001398326805 901526804 /nfs/dbraw/zinc/52/68/04/901526804.db2.gz LBOFKHXIRGEYFG-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001398326805 901526816 /nfs/dbraw/zinc/52/68/16/901526816.db2.gz LBOFKHXIRGEYFG-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001398326805 901526832 /nfs/dbraw/zinc/52/68/32/901526832.db2.gz LBOFKHXIRGEYFG-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001398389255 901535020 /nfs/dbraw/zinc/53/50/20/901535020.db2.gz AIFFKRGSMOLIJB-OLZOCXBDSA-N 2 1 296.415 -0.171 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001398551545 901557838 /nfs/dbraw/zinc/55/78/38/901557838.db2.gz DQTXIFMSVUHXCP-XUXIUFHCSA-N 2 1 299.415 -0.428 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001398554309 901559232 /nfs/dbraw/zinc/55/92/32/901559232.db2.gz FQUYMVUADFILTQ-IJLUTSLNSA-N 2 1 282.388 -0.689 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001398584185 901568210 /nfs/dbraw/zinc/56/82/10/901568210.db2.gz UYTHKSSCBWIIJD-JOCQHMNTSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NCC1CC1 ZINC001398889652 901622395 /nfs/dbraw/zinc/62/23/95/901622395.db2.gz SVMUYVTVKNPBIS-AAEUAGOBSA-N 2 1 296.415 -0.299 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](C)[NH2+]CCO)CC2 ZINC001399026223 901652852 /nfs/dbraw/zinc/65/28/52/901652852.db2.gz HIZFAWOJTTXKNS-CMPLNLGQSA-N 2 1 280.372 -0.159 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCN1CCCC1=O ZINC001399112896 901669069 /nfs/dbraw/zinc/66/90/69/901669069.db2.gz LYOFWUDNFINIAV-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001399117224 901670098 /nfs/dbraw/zinc/67/00/98/901670098.db2.gz VOCFIXZLOGVLMW-JTQLQIEISA-N 2 1 283.380 -0.854 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001399117224 901670110 /nfs/dbraw/zinc/67/01/10/901670110.db2.gz VOCFIXZLOGVLMW-JTQLQIEISA-N 2 1 283.380 -0.854 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001399177011 901680791 /nfs/dbraw/zinc/68/07/91/901680791.db2.gz AFAPOXLIUPDEAG-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001399181138 901680600 /nfs/dbraw/zinc/68/06/00/901680600.db2.gz ZJPONBRZBWVIJZ-LLVKDONJSA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001399181138 901680610 /nfs/dbraw/zinc/68/06/10/901680610.db2.gz ZJPONBRZBWVIJZ-LLVKDONJSA-N 2 1 282.392 -0.250 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001399221223 901684340 /nfs/dbraw/zinc/68/43/40/901684340.db2.gz VPIFEVWJODNIDK-STQMWFEESA-N 2 1 296.371 -0.611 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001399313194 901697257 /nfs/dbraw/zinc/69/72/57/901697257.db2.gz GGGTZYFAJBJZSB-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001399338548 901703502 /nfs/dbraw/zinc/70/35/02/901703502.db2.gz GTJYYMYQIOLGDJ-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001399486720 901734467 /nfs/dbraw/zinc/73/44/67/901734467.db2.gz QIZOFGIAZSNIDD-FRRDWIJNSA-N 2 1 287.404 -0.618 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001399486720 901734476 /nfs/dbraw/zinc/73/44/76/901734476.db2.gz QIZOFGIAZSNIDD-FRRDWIJNSA-N 2 1 287.404 -0.618 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001399486720 901734484 /nfs/dbraw/zinc/73/44/84/901734484.db2.gz QIZOFGIAZSNIDD-FRRDWIJNSA-N 2 1 287.404 -0.618 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001399489187 901735940 /nfs/dbraw/zinc/73/59/40/901735940.db2.gz SPFONAOKWPZVLR-ZYHUDNBSSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001399489187 901735951 /nfs/dbraw/zinc/73/59/51/901735951.db2.gz SPFONAOKWPZVLR-ZYHUDNBSSA-N 2 1 282.388 -0.750 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001399860276 901820759 /nfs/dbraw/zinc/82/07/59/901820759.db2.gz BLZBYWZDZWEOAS-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001399860276 901820769 /nfs/dbraw/zinc/82/07/69/901820769.db2.gz BLZBYWZDZWEOAS-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001399860276 901820779 /nfs/dbraw/zinc/82/07/79/901820779.db2.gz BLZBYWZDZWEOAS-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001399939489 901838152 /nfs/dbraw/zinc/83/81/52/901838152.db2.gz YGASBMOBPAUZID-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001399939489 901838166 /nfs/dbraw/zinc/83/81/66/901838166.db2.gz YGASBMOBPAUZID-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001399939494 901838601 /nfs/dbraw/zinc/83/86/01/901838601.db2.gz YGASBMOBPAUZID-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001399939494 901838607 /nfs/dbraw/zinc/83/86/07/901838607.db2.gz YGASBMOBPAUZID-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001399939499 901838913 /nfs/dbraw/zinc/83/89/13/901838913.db2.gz YGASBMOBPAUZID-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001399939499 901838919 /nfs/dbraw/zinc/83/89/19/901838919.db2.gz YGASBMOBPAUZID-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001399936685 901839164 /nfs/dbraw/zinc/83/91/64/901839164.db2.gz XXIWSSPSIJZTRQ-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP C[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001399939504 901839451 /nfs/dbraw/zinc/83/94/51/901839451.db2.gz YGASBMOBPAUZID-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001399939504 901839456 /nfs/dbraw/zinc/83/94/56/901839456.db2.gz YGASBMOBPAUZID-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+](CC)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399971391 901847595 /nfs/dbraw/zinc/84/75/95/901847595.db2.gz GZJLYMSALMGLMZ-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@@H](O)C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001400011569 901854280 /nfs/dbraw/zinc/85/42/80/901854280.db2.gz GBXLZFPAXNNBGK-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001400011569 901854293 /nfs/dbraw/zinc/85/42/93/901854293.db2.gz GBXLZFPAXNNBGK-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001400011569 901854299 /nfs/dbraw/zinc/85/42/99/901854299.db2.gz GBXLZFPAXNNBGK-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001400064816 901871946 /nfs/dbraw/zinc/87/19/46/901871946.db2.gz DOGSFOOXEBRMQP-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001400071238 901874422 /nfs/dbraw/zinc/87/44/22/901874422.db2.gz GDDATNVFWJOKLV-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O ZINC001400086308 901874449 /nfs/dbraw/zinc/87/44/49/901874449.db2.gz NLKIPLOLINRYLY-LBPRGKRZSA-N 2 1 293.371 -0.530 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001400227073 901901612 /nfs/dbraw/zinc/90/16/12/901901612.db2.gz PSEHCUXDEBTQFG-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001400594440 901975185 /nfs/dbraw/zinc/97/51/85/901975185.db2.gz VTEMQMXBHGENPT-RFGFWPKPSA-N 2 1 297.399 -0.770 20 0 CBADMP COC[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001400594440 901975199 /nfs/dbraw/zinc/97/51/99/901975199.db2.gz VTEMQMXBHGENPT-RFGFWPKPSA-N 2 1 297.399 -0.770 20 0 CBADMP COC[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001400594440 901975212 /nfs/dbraw/zinc/97/52/12/901975212.db2.gz VTEMQMXBHGENPT-RFGFWPKPSA-N 2 1 297.399 -0.770 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001400602901 901978008 /nfs/dbraw/zinc/97/80/08/901978008.db2.gz DVLRSURKGRJMRR-AVGNSLFASA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001400602901 901978016 /nfs/dbraw/zinc/97/80/16/901978016.db2.gz DVLRSURKGRJMRR-AVGNSLFASA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001400602901 901978025 /nfs/dbraw/zinc/97/80/25/901978025.db2.gz DVLRSURKGRJMRR-AVGNSLFASA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001400659732 901991893 /nfs/dbraw/zinc/99/18/93/901991893.db2.gz BHXCBUMBVUMLIY-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001400659732 901991907 /nfs/dbraw/zinc/99/19/07/901991907.db2.gz BHXCBUMBVUMLIY-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001400673970 901994117 /nfs/dbraw/zinc/99/41/17/901994117.db2.gz KZMRWQPPHYVHQN-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001400673970 901994128 /nfs/dbraw/zinc/99/41/28/901994128.db2.gz KZMRWQPPHYVHQN-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001400760220 902008393 /nfs/dbraw/zinc/00/83/93/902008393.db2.gz YELSTNKPPZTPLS-LBPRGKRZSA-N 2 1 296.415 -0.441 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001400739472 902009649 /nfs/dbraw/zinc/00/96/49/902009649.db2.gz NUDLYJCWJRXJRV-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001401066350 902047149 /nfs/dbraw/zinc/04/71/49/902047149.db2.gz XFTIRMZDZJMHOG-HDJSIYSDSA-N 2 1 299.415 -0.282 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)CC[NH+](C)C ZINC001401243593 902090499 /nfs/dbraw/zinc/09/04/99/902090499.db2.gz VBNBMOMKDVPIRZ-LLVKDONJSA-N 2 1 282.392 -0.297 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001401265031 902096146 /nfs/dbraw/zinc/09/61/46/902096146.db2.gz YDQMNMPQDMEENQ-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001401357596 902109001 /nfs/dbraw/zinc/10/90/01/902109001.db2.gz GLJMCOYQBUPXOW-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001401357596 902109009 /nfs/dbraw/zinc/10/90/09/902109009.db2.gz GLJMCOYQBUPXOW-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001401357596 902109021 /nfs/dbraw/zinc/10/90/21/902109021.db2.gz GLJMCOYQBUPXOW-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP CCN1CC[C@@H]([N@H+](C)CCN(C)C(=O)CC[NH+](C)C)C1=O ZINC001401387112 902121003 /nfs/dbraw/zinc/12/10/03/902121003.db2.gz MFXSSJNPJUFCMY-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCN1CC[C@@H]([N@@H+](C)CCN(C)C(=O)CC[NH+](C)C)C1=O ZINC001401387112 902121014 /nfs/dbraw/zinc/12/10/14/902121014.db2.gz MFXSSJNPJUFCMY-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001401594900 902182297 /nfs/dbraw/zinc/18/22/97/902182297.db2.gz BXWIOLHZFAPSIR-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+][C@@H](C)C(N)=O ZINC001401605486 902185094 /nfs/dbraw/zinc/18/50/94/902185094.db2.gz PSVNRCMXERXYHR-MNOVXSKESA-N 2 1 272.393 -0.315 20 0 CBADMP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401607728 902185878 /nfs/dbraw/zinc/18/58/78/902185878.db2.gz HCIPOWZRGMTKNO-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001401609655 902188205 /nfs/dbraw/zinc/18/82/05/902188205.db2.gz LFJANGKTVMSJKN-VXGBXAGGSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401647024 902204360 /nfs/dbraw/zinc/20/43/60/902204360.db2.gz JCJANBUNEFXUGE-WDEREUQCSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401647024 902204364 /nfs/dbraw/zinc/20/43/64/902204364.db2.gz JCJANBUNEFXUGE-WDEREUQCSA-N 2 1 295.391 -0.854 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001401659334 902213756 /nfs/dbraw/zinc/21/37/56/902213756.db2.gz MVNNZKFARJLNKE-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001401659334 902213773 /nfs/dbraw/zinc/21/37/73/902213773.db2.gz MVNNZKFARJLNKE-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001401669470 902216151 /nfs/dbraw/zinc/21/61/51/902216151.db2.gz KOZFSXVRGFSWQB-BXUZGUMPSA-N 2 1 292.383 -0.131 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001401669640 902217800 /nfs/dbraw/zinc/21/78/00/902217800.db2.gz OQSRDXJIQHAMJN-SNVBAGLBSA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001401677206 902220926 /nfs/dbraw/zinc/22/09/26/902220926.db2.gz YCAKNXVZJKVXBR-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401698224 902236475 /nfs/dbraw/zinc/23/64/75/902236475.db2.gz BAYNSKHFYFBXRT-NSHDSACASA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401699535 902237307 /nfs/dbraw/zinc/23/73/07/902237307.db2.gz FXODLWNNXWWABQ-NSHDSACASA-N 2 1 294.403 -0.249 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401724210 902242830 /nfs/dbraw/zinc/24/28/30/902242830.db2.gz XPHCVWHTNALKHH-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401771237 902268096 /nfs/dbraw/zinc/26/80/96/902268096.db2.gz KCULVKUYWUZLNN-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401771237 902268107 /nfs/dbraw/zinc/26/81/07/902268107.db2.gz KCULVKUYWUZLNN-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001401856546 902288835 /nfs/dbraw/zinc/28/88/35/902288835.db2.gz XYYCIOKZHKQFBU-MELADBBJSA-N 2 1 299.415 -0.428 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001401905144 902304848 /nfs/dbraw/zinc/30/48/48/902304848.db2.gz GUUMBGSWTGXILC-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001401905144 902304856 /nfs/dbraw/zinc/30/48/56/902304856.db2.gz GUUMBGSWTGXILC-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001401905144 902304866 /nfs/dbraw/zinc/30/48/66/902304866.db2.gz GUUMBGSWTGXILC-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001401905144 902304878 /nfs/dbraw/zinc/30/48/78/902304878.db2.gz GUUMBGSWTGXILC-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001401928024 902312458 /nfs/dbraw/zinc/31/24/58/902312458.db2.gz SCLXNTXPYQAWPQ-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CO[C@@H](C)C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001401928024 902312464 /nfs/dbraw/zinc/31/24/64/902312464.db2.gz SCLXNTXPYQAWPQ-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC(C)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001401939915 902318010 /nfs/dbraw/zinc/31/80/10/902318010.db2.gz MBNIWORRZUHEQP-LBPRGKRZSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)NC)CC2)CC[N@H+]1C ZINC001401947415 902323898 /nfs/dbraw/zinc/32/38/98/902323898.db2.gz KMUJAZKPBSKEHL-NWDGAFQWSA-N 2 1 296.415 -0.299 20 0 CBADMP CCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001402261079 902397857 /nfs/dbraw/zinc/39/78/57/902397857.db2.gz DVCUGEGWGCGHHZ-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001402261079 902397869 /nfs/dbraw/zinc/39/78/69/902397869.db2.gz DVCUGEGWGCGHHZ-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CCCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001402261079 902397881 /nfs/dbraw/zinc/39/78/81/902397881.db2.gz DVCUGEGWGCGHHZ-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CCCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001402261079 902397893 /nfs/dbraw/zinc/39/78/93/902397893.db2.gz DVCUGEGWGCGHHZ-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](C[C@H](C)O)C1 ZINC001402285826 902408248 /nfs/dbraw/zinc/40/82/48/902408248.db2.gz HYVCDHIYMKJJHH-GXTWGEPZSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001402285826 902408252 /nfs/dbraw/zinc/40/82/52/902408252.db2.gz HYVCDHIYMKJJHH-GXTWGEPZSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001402285826 902408255 /nfs/dbraw/zinc/40/82/55/902408255.db2.gz HYVCDHIYMKJJHH-GXTWGEPZSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](C[C@H](C)O)C1 ZINC001402285829 902408289 /nfs/dbraw/zinc/40/82/89/902408289.db2.gz HYVCDHIYMKJJHH-JSGCOSHPSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001402285829 902408292 /nfs/dbraw/zinc/40/82/92/902408292.db2.gz HYVCDHIYMKJJHH-JSGCOSHPSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001402285829 902408296 /nfs/dbraw/zinc/40/82/96/902408296.db2.gz HYVCDHIYMKJJHH-JSGCOSHPSA-N 2 1 287.404 -0.738 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001402378617 902439191 /nfs/dbraw/zinc/43/91/91/902439191.db2.gz QUFKIWCTWIBHDK-LLVKDONJSA-N 2 1 279.344 -0.839 20 0 CBADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1)c1nnnn1C ZINC001402444757 902453428 /nfs/dbraw/zinc/45/34/28/902453428.db2.gz OWRLJWDTGVAIKY-MNOVXSKESA-N 2 1 295.391 -0.587 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001402476070 902460085 /nfs/dbraw/zinc/46/00/85/902460085.db2.gz WGXKNECQESMXPR-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001402476070 902460090 /nfs/dbraw/zinc/46/00/90/902460090.db2.gz WGXKNECQESMXPR-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001402514980 902469453 /nfs/dbraw/zinc/46/94/53/902469453.db2.gz JJROFXPLUNOACY-JHJVBQTASA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@@H+](CC(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001402530451 902472135 /nfs/dbraw/zinc/47/21/35/902472135.db2.gz YKNPOQHULGVVHR-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001402528177 902472305 /nfs/dbraw/zinc/47/23/05/902472305.db2.gz HZSQQSCZHGAWOA-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001402583930 902483477 /nfs/dbraw/zinc/48/34/77/902483477.db2.gz NJZHPJNLBKGFBU-IJLUTSLNSA-N 2 1 293.371 -0.437 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001402605981 902491339 /nfs/dbraw/zinc/49/13/39/902491339.db2.gz DKLIOBWOADPCSV-NNYUYHANSA-N 2 1 282.388 -0.548 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001402605746 902491477 /nfs/dbraw/zinc/49/14/77/902491477.db2.gz LIFGBAARVDOOHS-SDDRHHMPSA-N 2 1 282.388 -0.689 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001402684341 902500619 /nfs/dbraw/zinc/50/06/19/902500619.db2.gz NQGLLFRKNODNQL-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001402684341 902500629 /nfs/dbraw/zinc/50/06/29/902500629.db2.gz NQGLLFRKNODNQL-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001402684341 902500635 /nfs/dbraw/zinc/50/06/35/902500635.db2.gz NQGLLFRKNODNQL-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001402684341 902500644 /nfs/dbraw/zinc/50/06/44/902500644.db2.gz NQGLLFRKNODNQL-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP C[N@H+](CC(=O)NC[C@H]1CCC[NH+](CC(N)=O)C1)C1CCC1 ZINC001402669350 902501211 /nfs/dbraw/zinc/50/12/11/902501211.db2.gz UPBBUGSWFDYZGX-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+](CC(N)=O)C1)C1CCC1 ZINC001402669350 902501221 /nfs/dbraw/zinc/50/12/21/902501221.db2.gz UPBBUGSWFDYZGX-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](CC(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1)C1CCC1 ZINC001402669350 902501231 /nfs/dbraw/zinc/50/12/31/902501231.db2.gz UPBBUGSWFDYZGX-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1)C1CCC1 ZINC001402669350 902501240 /nfs/dbraw/zinc/50/12/40/902501240.db2.gz UPBBUGSWFDYZGX-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001402787924 902518044 /nfs/dbraw/zinc/51/80/44/902518044.db2.gz NWWFMPICECMMKC-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001402792300 902521125 /nfs/dbraw/zinc/52/11/25/902521125.db2.gz RIHCKMZBDRDZKM-JQWIXIFHSA-N 2 1 293.371 -0.626 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC(N)=O ZINC001402830100 902527511 /nfs/dbraw/zinc/52/75/11/902527511.db2.gz XKNXNWRXEADROM-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CC(N)=O ZINC001402830100 902527526 /nfs/dbraw/zinc/52/75/26/902527526.db2.gz XKNXNWRXEADROM-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CC(N)=O ZINC001402830100 902527540 /nfs/dbraw/zinc/52/75/40/902527540.db2.gz XKNXNWRXEADROM-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CC(N)=O ZINC001402830100 902527551 /nfs/dbraw/zinc/52/75/51/902527551.db2.gz XKNXNWRXEADROM-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001402821672 902527918 /nfs/dbraw/zinc/52/79/18/902527918.db2.gz BGDFLOXXJZZQCO-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H](CCNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001402821666 902528384 /nfs/dbraw/zinc/52/83/84/902528384.db2.gz BGDFLOXXJZZQCO-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP C[N@H+](CCO)C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001402928657 902566404 /nfs/dbraw/zinc/56/64/04/902566404.db2.gz UHOUDKANPGOCFX-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001402928657 902566414 /nfs/dbraw/zinc/56/64/14/902566414.db2.gz UHOUDKANPGOCFX-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001402941898 902567928 /nfs/dbraw/zinc/56/79/28/902567928.db2.gz CFFMBSUFAIIFNK-LLVKDONJSA-N 2 1 295.387 -0.190 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]CCn1cncn1 ZINC001402956222 902571343 /nfs/dbraw/zinc/57/13/43/902571343.db2.gz VBOGGJLTOQJGIY-LLVKDONJSA-N 2 1 291.359 -0.422 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001403075473 902607686 /nfs/dbraw/zinc/60/76/86/902607686.db2.gz KPAQRVQETLENFL-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP COC[C@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001403070822 902608530 /nfs/dbraw/zinc/60/85/30/902608530.db2.gz PKZRSMNTDPSRBU-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001403149936 902630287 /nfs/dbraw/zinc/63/02/87/902630287.db2.gz ZENRVVKEAIIXJI-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001403149941 902630701 /nfs/dbraw/zinc/63/07/01/902630701.db2.gz ZENRVVKEAIIXJI-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001403182389 902638324 /nfs/dbraw/zinc/63/83/24/902638324.db2.gz LJVYHACRPJJPLZ-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC(=O)N(C)C1CC1 ZINC001403171838 902640276 /nfs/dbraw/zinc/64/02/76/902640276.db2.gz SBMYGBNPMAVJOS-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001403171838 902640285 /nfs/dbraw/zinc/64/02/85/902640285.db2.gz SBMYGBNPMAVJOS-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)NC(=O)CN(C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403209794 902648527 /nfs/dbraw/zinc/64/85/27/902648527.db2.gz ZOGNCMGPWNOVNI-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001403209794 902648535 /nfs/dbraw/zinc/64/85/35/902648535.db2.gz ZOGNCMGPWNOVNI-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001403209794 902648542 /nfs/dbraw/zinc/64/85/42/902648542.db2.gz ZOGNCMGPWNOVNI-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001403209794 902648549 /nfs/dbraw/zinc/64/85/49/902648549.db2.gz ZOGNCMGPWNOVNI-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403209794 902648555 /nfs/dbraw/zinc/64/85/55/902648555.db2.gz ZOGNCMGPWNOVNI-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(C1)C[NH+](CCO)CCO2 ZINC001403351840 902674113 /nfs/dbraw/zinc/67/41/13/902674113.db2.gz AZHNRXDBHRRBPV-OAHLLOKOSA-N 2 1 299.415 -0.378 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@]2(C1)C[NH+](CCO)CCO2 ZINC001403351840 902674127 /nfs/dbraw/zinc/67/41/27/902674127.db2.gz AZHNRXDBHRRBPV-OAHLLOKOSA-N 2 1 299.415 -0.378 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC001403351840 902674138 /nfs/dbraw/zinc/67/41/38/902674138.db2.gz AZHNRXDBHRRBPV-OAHLLOKOSA-N 2 1 299.415 -0.378 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC001403351840 902674148 /nfs/dbraw/zinc/67/41/48/902674148.db2.gz AZHNRXDBHRRBPV-OAHLLOKOSA-N 2 1 299.415 -0.378 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001403371035 902679007 /nfs/dbraw/zinc/67/90/07/902679007.db2.gz BLMDJBZRHLJDHV-SYQHCUMBSA-N 2 1 292.383 -0.134 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001403371035 902679011 /nfs/dbraw/zinc/67/90/11/902679011.db2.gz BLMDJBZRHLJDHV-SYQHCUMBSA-N 2 1 292.383 -0.134 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001403383348 902681470 /nfs/dbraw/zinc/68/14/70/902681470.db2.gz NGIBSMAHEMTVIN-WDEREUQCSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001403383348 902681476 /nfs/dbraw/zinc/68/14/76/902681476.db2.gz NGIBSMAHEMTVIN-WDEREUQCSA-N 2 1 284.404 -0.362 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C1 ZINC001403404539 902685353 /nfs/dbraw/zinc/68/53/53/902685353.db2.gz FKOFIUSRGWJTCS-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H](O)C[NH2+][C@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001403452269 902692184 /nfs/dbraw/zinc/69/21/84/902692184.db2.gz IRKXBYDRHBSCCY-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001403442489 902692225 /nfs/dbraw/zinc/69/22/25/902692225.db2.gz IJIWHOQBSWGWOT-IJLUTSLNSA-N 2 1 282.388 -0.689 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001403458260 902695572 /nfs/dbraw/zinc/69/55/72/902695572.db2.gz FBVDNRWEPVHOEP-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403465561 902695978 /nfs/dbraw/zinc/69/59/78/902695978.db2.gz JJCOGTHLFGUANK-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403510377 902706981 /nfs/dbraw/zinc/70/69/81/902706981.db2.gz LMRYHAHSIDVRQO-GFCCVEGCSA-N 2 1 293.371 -0.497 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001403594723 902743449 /nfs/dbraw/zinc/74/34/49/902743449.db2.gz JBQKNYCPUDEEMR-WOPDTQHZSA-N 2 1 284.404 -0.362 20 0 CBADMP COC[C@H](O)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001403624736 902757795 /nfs/dbraw/zinc/75/77/95/902757795.db2.gz GOGPFXWOHYMPPR-DGCLKSJQSA-N 2 1 298.387 -0.365 20 0 CBADMP Cc1oncc1C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001403705507 902810577 /nfs/dbraw/zinc/81/05/77/902810577.db2.gz SQFJCWHXYQVXFG-LBPRGKRZSA-N 2 1 284.360 -0.499 20 0 CBADMP Cc1nocc1C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001403747192 902834256 /nfs/dbraw/zinc/83/42/56/902834256.db2.gz NUTNJDHFPGDLGG-ZDUSSCGKSA-N 2 1 296.371 -0.354 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001403891448 902897581 /nfs/dbraw/zinc/89/75/81/902897581.db2.gz CUQILFBMXAETKH-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001403891448 902897585 /nfs/dbraw/zinc/89/75/85/902897585.db2.gz CUQILFBMXAETKH-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001403891448 902897594 /nfs/dbraw/zinc/89/75/94/902897594.db2.gz CUQILFBMXAETKH-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CCNC(=O)CC[N@H+](C)CC)[C@H]1CCN(C)C1=O ZINC001403927175 902908005 /nfs/dbraw/zinc/90/80/05/902908005.db2.gz NGRIFAQQPLUKCB-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](CC)[C@H]1CCN(C)C1=O ZINC001403927175 902908014 /nfs/dbraw/zinc/90/80/14/902908014.db2.gz NGRIFAQQPLUKCB-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](CC)[C@H]1CCN(C)C1=O ZINC001403927175 902908031 /nfs/dbraw/zinc/90/80/31/902908031.db2.gz NGRIFAQQPLUKCB-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](CCNC(=O)Cn1ccnc1)[C@@H]1CCNC1=O ZINC001403945662 902912310 /nfs/dbraw/zinc/91/23/10/902912310.db2.gz MCXDZTYEPAEJSU-LLVKDONJSA-N 2 1 279.344 -0.790 20 0 CBADMP CCN(CCNC(=O)Cn1ccnc1)[C@@H]1CCNC1=O ZINC001403945662 902912319 /nfs/dbraw/zinc/91/23/19/902912319.db2.gz MCXDZTYEPAEJSU-LLVKDONJSA-N 2 1 279.344 -0.790 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H](C)C(=O)NC ZINC001403939997 902912636 /nfs/dbraw/zinc/91/26/36/902912636.db2.gz MVWCCGKXUPFQSQ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)C(N)=O ZINC001403940626 902913258 /nfs/dbraw/zinc/91/32/58/902913258.db2.gz PUFMXYIGQSOZRI-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H](C)C(N)=O ZINC001403940626 902913266 /nfs/dbraw/zinc/91/32/66/902913266.db2.gz PUFMXYIGQSOZRI-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H](C)C(N)=O ZINC001403940626 902913274 /nfs/dbraw/zinc/91/32/74/902913274.db2.gz PUFMXYIGQSOZRI-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C)C(N)=O ZINC001403940626 902913283 /nfs/dbraw/zinc/91/32/83/902913283.db2.gz PUFMXYIGQSOZRI-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)C(N)=O ZINC001403940626 902913289 /nfs/dbraw/zinc/91/32/89/902913289.db2.gz PUFMXYIGQSOZRI-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001404208619 902950579 /nfs/dbraw/zinc/95/05/79/902950579.db2.gz CWSMQBWCZIKXNB-OLZOCXBDSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001404208619 902950591 /nfs/dbraw/zinc/95/05/91/902950591.db2.gz CWSMQBWCZIKXNB-OLZOCXBDSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001404208619 902950598 /nfs/dbraw/zinc/95/05/98/902950598.db2.gz CWSMQBWCZIKXNB-OLZOCXBDSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001404208619 902950605 /nfs/dbraw/zinc/95/06/05/902950605.db2.gz CWSMQBWCZIKXNB-OLZOCXBDSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC001404309804 902969023 /nfs/dbraw/zinc/96/90/23/902969023.db2.gz FDGJUTKEYYCPAA-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H]([NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(N)=O ZINC001404321810 902974526 /nfs/dbraw/zinc/97/45/26/902974526.db2.gz MAYGWJWFYLXIIB-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP COC[C@H](O)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001404917875 903057063 /nfs/dbraw/zinc/05/70/63/903057063.db2.gz DAPCAWXHCFTIIO-TZMCWYRMSA-N 2 1 299.415 -0.617 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001404927143 903057416 /nfs/dbraw/zinc/05/74/16/903057416.db2.gz YVUZUJUVGWZMEH-AAEUAGOBSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001404927143 903057424 /nfs/dbraw/zinc/05/74/24/903057424.db2.gz YVUZUJUVGWZMEH-AAEUAGOBSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)[NH2+]CC(N)=O ZINC001405362303 903154630 /nfs/dbraw/zinc/15/46/30/903154630.db2.gz GFYXYYXTLRKWGE-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001405739364 903213557 /nfs/dbraw/zinc/21/35/57/903213557.db2.gz LVVZLXXVBXRVRX-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](C[C@H](C)O)CCO1 ZINC001405739364 903213521 /nfs/dbraw/zinc/21/35/21/903213521.db2.gz LVVZLXXVBXRVRX-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[NH+](C[C@H](C)O)CCO1 ZINC001405739364 903213532 /nfs/dbraw/zinc/21/35/32/903213532.db2.gz LVVZLXXVBXRVRX-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001405739364 903213544 /nfs/dbraw/zinc/21/35/44/903213544.db2.gz LVVZLXXVBXRVRX-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001405824513 903228362 /nfs/dbraw/zinc/22/83/62/903228362.db2.gz ZCXWPQUDUVZKCG-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001405836058 903234256 /nfs/dbraw/zinc/23/42/56/903234256.db2.gz MFZMCCCQHCSJAE-GXSJLCMTSA-N 2 1 281.360 -0.498 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC001405876333 903240218 /nfs/dbraw/zinc/24/02/18/903240218.db2.gz NUEKCTNRMSUWKF-KBPBESRZSA-N 2 1 299.415 -0.208 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001405881576 903242350 /nfs/dbraw/zinc/24/23/50/903242350.db2.gz ZNYRTQJFYDUKSQ-LLVKDONJSA-N 2 1 295.387 -0.072 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001405891509 903245344 /nfs/dbraw/zinc/24/53/44/903245344.db2.gz MZIDPPSZDDDFER-CMPLNLGQSA-N 2 1 293.371 -0.483 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001405893985 903245972 /nfs/dbraw/zinc/24/59/72/903245972.db2.gz PJMIHURBQXBQIT-VHSXEESVSA-N 2 1 281.360 -0.498 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001405893979 903246367 /nfs/dbraw/zinc/24/63/67/903246367.db2.gz PJMIHURBQXBQIT-NXEZZACHSA-N 2 1 281.360 -0.498 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001405956470 903248168 /nfs/dbraw/zinc/24/81/68/903248168.db2.gz BFWFMYBTXPMBMV-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C[NH2+]CC(N)=O)CC(C)C ZINC001405930236 903249179 /nfs/dbraw/zinc/24/91/79/903249179.db2.gz RASSANGUYDEONE-LBPRGKRZSA-N 2 1 295.387 -0.203 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(N)=O ZINC001406042436 903254286 /nfs/dbraw/zinc/25/42/86/903254286.db2.gz PAJFSFBATOOQLD-RYUDHWBXSA-N 2 1 284.404 -0.314 20 0 CBADMP CN(CC[N@@H+](C)CCn1cncn1)C(=O)[C@@H]1CCC[NH+]1C ZINC001406081537 903262848 /nfs/dbraw/zinc/26/28/48/903262848.db2.gz SFGCXZHGIWNMTR-ZDUSSCGKSA-N 2 1 294.403 -0.238 20 0 CBADMP CN(CC[NH+](C)CCn1cncn1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001406081537 903262856 /nfs/dbraw/zinc/26/28/56/903262856.db2.gz SFGCXZHGIWNMTR-ZDUSSCGKSA-N 2 1 294.403 -0.238 20 0 CBADMP CN(CC[NH+](C)CCn1cncn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001406081537 903262867 /nfs/dbraw/zinc/26/28/67/903262867.db2.gz SFGCXZHGIWNMTR-ZDUSSCGKSA-N 2 1 294.403 -0.238 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001406154811 903280932 /nfs/dbraw/zinc/28/09/32/903280932.db2.gz QOILXWZKBUNWLX-RYUDHWBXSA-N 2 1 286.420 -0.163 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001406154811 903280939 /nfs/dbraw/zinc/28/09/39/903280939.db2.gz QOILXWZKBUNWLX-RYUDHWBXSA-N 2 1 286.420 -0.163 20 0 CBADMP CC(C)[NH2+]C[C@@H](O)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001406257651 903332568 /nfs/dbraw/zinc/33/25/68/903332568.db2.gz QNQIDUVAVMACOL-SNVBAGLBSA-N 2 1 284.360 -0.175 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nccs2)C1 ZINC001406301408 903348340 /nfs/dbraw/zinc/34/83/40/903348340.db2.gz ZZYDRCOAYTXOEB-GHMZBOCLSA-N 2 1 298.412 -0.339 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nccs2)C1 ZINC001406301408 903348355 /nfs/dbraw/zinc/34/83/55/903348355.db2.gz ZZYDRCOAYTXOEB-GHMZBOCLSA-N 2 1 298.412 -0.339 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001406320356 903355231 /nfs/dbraw/zinc/35/52/31/903355231.db2.gz GMGUCKAUDXCYKL-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001406320365 903355568 /nfs/dbraw/zinc/35/55/68/903355568.db2.gz GMGUCKAUDXCYKL-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001406321429 903356260 /nfs/dbraw/zinc/35/62/60/903356260.db2.gz DXGYYYPRFBCQLQ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001406418898 903395582 /nfs/dbraw/zinc/39/55/82/903395582.db2.gz DGCQZYQNMGGYFT-YPMHNXCESA-N 2 1 296.419 -0.004 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001406516858 903422938 /nfs/dbraw/zinc/42/29/38/903422938.db2.gz LOTOSFVYLWQXHR-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001406561431 903433559 /nfs/dbraw/zinc/43/35/59/903433559.db2.gz NUQGRMVJVKTHFN-WDEREUQCSA-N 2 1 270.377 -0.691 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001406590693 903441809 /nfs/dbraw/zinc/44/18/09/903441809.db2.gz YZCAOPMJUGSJSM-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001406590693 903441820 /nfs/dbraw/zinc/44/18/20/903441820.db2.gz YZCAOPMJUGSJSM-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001406590693 903441828 /nfs/dbraw/zinc/44/18/28/903441828.db2.gz YZCAOPMJUGSJSM-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001406590693 903441835 /nfs/dbraw/zinc/44/18/35/903441835.db2.gz YZCAOPMJUGSJSM-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001406695178 903465793 /nfs/dbraw/zinc/46/57/93/903465793.db2.gz FULQZLUICPLYRF-QWRGUYRKSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001406695178 903465800 /nfs/dbraw/zinc/46/58/00/903465800.db2.gz FULQZLUICPLYRF-QWRGUYRKSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001406695178 903465803 /nfs/dbraw/zinc/46/58/03/903465803.db2.gz FULQZLUICPLYRF-QWRGUYRKSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406695178 903465807 /nfs/dbraw/zinc/46/58/07/903465807.db2.gz FULQZLUICPLYRF-QWRGUYRKSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001406695159 903466344 /nfs/dbraw/zinc/46/63/44/903466344.db2.gz FULQZLUICPLYRF-MNOVXSKESA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001406695159 903466357 /nfs/dbraw/zinc/46/63/57/903466357.db2.gz FULQZLUICPLYRF-MNOVXSKESA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001406695159 903466370 /nfs/dbraw/zinc/46/63/70/903466370.db2.gz FULQZLUICPLYRF-MNOVXSKESA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406695159 903466377 /nfs/dbraw/zinc/46/63/77/903466377.db2.gz FULQZLUICPLYRF-MNOVXSKESA-N 2 1 270.377 -0.879 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001406781880 903479649 /nfs/dbraw/zinc/47/96/49/903479649.db2.gz ZMBVPZOTMYSPRF-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001406841805 903489414 /nfs/dbraw/zinc/48/94/14/903489414.db2.gz BESAFIQNNLLTMR-GFCCVEGCSA-N 2 1 280.376 -0.580 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001406841805 903489424 /nfs/dbraw/zinc/48/94/24/903489424.db2.gz BESAFIQNNLLTMR-GFCCVEGCSA-N 2 1 280.376 -0.580 20 0 CBADMP COCC[N@@H+]1CC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001406877300 903500253 /nfs/dbraw/zinc/50/02/53/903500253.db2.gz LUEGVZUTRTWMAO-CYBMUJFWSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+]1CC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001406877300 903500262 /nfs/dbraw/zinc/50/02/62/903500262.db2.gz LUEGVZUTRTWMAO-CYBMUJFWSA-N 2 1 299.415 -0.066 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001406894256 903502367 /nfs/dbraw/zinc/50/23/67/903502367.db2.gz CGHROJVGSYRFKH-STQMWFEESA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001406894256 903502382 /nfs/dbraw/zinc/50/23/82/903502382.db2.gz CGHROJVGSYRFKH-STQMWFEESA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001406894256 903502390 /nfs/dbraw/zinc/50/23/90/903502390.db2.gz CGHROJVGSYRFKH-STQMWFEESA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001406894256 903502403 /nfs/dbraw/zinc/50/24/03/903502403.db2.gz CGHROJVGSYRFKH-STQMWFEESA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1)C(N)=O ZINC001406957668 903516271 /nfs/dbraw/zinc/51/62/71/903516271.db2.gz KZVFGDQCDMRJCZ-MNOVXSKESA-N 2 1 282.388 -0.560 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001406960869 903519021 /nfs/dbraw/zinc/51/90/21/903519021.db2.gz QTXJIUXQZFKOOP-NEPJUHHUSA-N 2 1 294.399 -0.545 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001407860354 903668492 /nfs/dbraw/zinc/66/84/92/903668492.db2.gz OYXPFGWAUJNAEY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001407883415 903675610 /nfs/dbraw/zinc/67/56/10/903675610.db2.gz YJPLCEHCZNXQBD-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001407883415 903675619 /nfs/dbraw/zinc/67/56/19/903675619.db2.gz YJPLCEHCZNXQBD-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001407883415 903675631 /nfs/dbraw/zinc/67/56/31/903675631.db2.gz YJPLCEHCZNXQBD-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001407927093 903680662 /nfs/dbraw/zinc/68/06/62/903680662.db2.gz QKWHOXSLBVGMCE-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001407934222 903682173 /nfs/dbraw/zinc/68/21/73/903682173.db2.gz ZXNPRNXDTIHLKY-LBPRGKRZSA-N 2 1 298.431 -0.018 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001408003280 903692794 /nfs/dbraw/zinc/69/27/94/903692794.db2.gz BYGRZQOMPTWEOW-JSGCOSHPSA-N 2 1 285.388 -0.984 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC(N)=O ZINC001408155048 903720722 /nfs/dbraw/zinc/72/07/22/903720722.db2.gz FZZVKMIXDTZENV-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC(N)=O ZINC001408155048 903720726 /nfs/dbraw/zinc/72/07/26/903720726.db2.gz FZZVKMIXDTZENV-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001408213049 903731447 /nfs/dbraw/zinc/73/14/47/903731447.db2.gz RTGASCTYCBETHK-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH+](C)CC(N)=O)C1 ZINC001408357412 903756509 /nfs/dbraw/zinc/75/65/09/903756509.db2.gz PXCDUBKMRSUVKF-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2C[NH+](C)CC(N)=O)C1 ZINC001408357412 903756522 /nfs/dbraw/zinc/75/65/22/903756522.db2.gz PXCDUBKMRSUVKF-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]2C[N@H+](C)CC(N)=O)C1 ZINC001408357412 903756534 /nfs/dbraw/zinc/75/65/34/903756534.db2.gz PXCDUBKMRSUVKF-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC(N)=O)C1 ZINC001408357412 903756548 /nfs/dbraw/zinc/75/65/48/903756548.db2.gz PXCDUBKMRSUVKF-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC(N)=O)CCC1 ZINC001408352419 903756748 /nfs/dbraw/zinc/75/67/48/903756748.db2.gz UXBIKGXJQRIMSZ-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(N)=O)CCC1 ZINC001408352419 903756761 /nfs/dbraw/zinc/75/67/61/903756761.db2.gz UXBIKGXJQRIMSZ-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001408351825 903757446 /nfs/dbraw/zinc/75/74/46/903757446.db2.gz ZHPXMNBXCPBOQG-TZMCWYRMSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001408351825 903757454 /nfs/dbraw/zinc/75/74/54/903757454.db2.gz ZHPXMNBXCPBOQG-TZMCWYRMSA-N 2 1 298.431 -0.019 20 0 CBADMP COC[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001409573377 903929516 /nfs/dbraw/zinc/92/95/16/903929516.db2.gz BYHZMDZCXWABPE-AAEUAGOBSA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001409573377 903929529 /nfs/dbraw/zinc/92/95/29/903929529.db2.gz BYHZMDZCXWABPE-AAEUAGOBSA-N 2 1 298.387 -0.365 20 0 CBADMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CC(=O)N(C)C ZINC001409657837 903951442 /nfs/dbraw/zinc/95/14/42/903951442.db2.gz WHCJDWFNQXCACA-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)CC(=O)N(C)C ZINC001409657837 903951453 /nfs/dbraw/zinc/95/14/53/903951453.db2.gz WHCJDWFNQXCACA-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)NC(=O)C[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001409947197 903986651 /nfs/dbraw/zinc/98/66/51/903986651.db2.gz QMKYKSRSBDBQFP-GFCCVEGCSA-N 2 1 298.431 -0.101 20 0 CBADMP COCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001410249194 904052675 /nfs/dbraw/zinc/05/26/75/904052675.db2.gz HGSWVSALGAYEKK-AWEZNQCLSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001410249194 904052684 /nfs/dbraw/zinc/05/26/84/904052684.db2.gz HGSWVSALGAYEKK-AWEZNQCLSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001410249194 904052697 /nfs/dbraw/zinc/05/26/97/904052697.db2.gz HGSWVSALGAYEKK-AWEZNQCLSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001410249194 904052709 /nfs/dbraw/zinc/05/27/09/904052709.db2.gz HGSWVSALGAYEKK-AWEZNQCLSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001410249199 904053738 /nfs/dbraw/zinc/05/37/38/904053738.db2.gz HGSWVSALGAYEKK-CQSZACIVSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001410249199 904053749 /nfs/dbraw/zinc/05/37/49/904053749.db2.gz HGSWVSALGAYEKK-CQSZACIVSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001410249199 904053761 /nfs/dbraw/zinc/05/37/61/904053761.db2.gz HGSWVSALGAYEKK-CQSZACIVSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001410249199 904053773 /nfs/dbraw/zinc/05/37/73/904053773.db2.gz HGSWVSALGAYEKK-CQSZACIVSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001410618102 904144837 /nfs/dbraw/zinc/14/48/37/904144837.db2.gz GVRCFPINJQMITA-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001410920370 904203365 /nfs/dbraw/zinc/20/33/65/904203365.db2.gz YIVZFZSCMHTVHB-DOMZBBRYSA-N 2 1 296.415 -0.203 20 0 CBADMP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001411011841 904221900 /nfs/dbraw/zinc/22/19/00/904221900.db2.gz OWILVEAWSMDYNL-CHWSQXEVSA-N 2 1 285.388 -0.864 20 0 CBADMP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001411011841 904221913 /nfs/dbraw/zinc/22/19/13/904221913.db2.gz OWILVEAWSMDYNL-CHWSQXEVSA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001411218532 904261731 /nfs/dbraw/zinc/26/17/31/904261731.db2.gz PYDKQCIJSQNRHT-NWDGAFQWSA-N 2 1 298.431 -0.066 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](CO)[C@H](CCO)C2)CC1 ZINC001460967351 914839771 /nfs/dbraw/zinc/83/97/71/914839771.db2.gz QWOZVNRCUZBNLB-ZIAGYGMSSA-N 2 1 299.415 -0.927 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](CO)[C@H](CCO)C2)CC1 ZINC001460967351 914839792 /nfs/dbraw/zinc/83/97/92/914839792.db2.gz QWOZVNRCUZBNLB-ZIAGYGMSSA-N 2 1 299.415 -0.927 20 0 CBADMP CC[N@@H+](C)[C@H]1CCN(C[C@H](O)C[NH+](C)CCOC)C1 ZINC001460993529 914849327 /nfs/dbraw/zinc/84/93/27/914849327.db2.gz TXQJKEUROUCWTO-UONOGXRCSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+](C)[C@H]1CCN(C[C@H](O)C[N@H+](C)CCOC)C1 ZINC001460993529 914849337 /nfs/dbraw/zinc/84/93/37/914849337.db2.gz TXQJKEUROUCWTO-UONOGXRCSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+](C)[C@H]1CCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC001460993529 914849353 /nfs/dbraw/zinc/84/93/53/914849353.db2.gz TXQJKEUROUCWTO-UONOGXRCSA-N 2 1 273.421 -0.049 20 0 CBADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)C3(O)CCOCC3)C[C@]2(C)C1 ZINC001414037943 905334194 /nfs/dbraw/zinc/33/41/94/905334194.db2.gz TUNAMUWPPPALGU-RDBSUJKOSA-N 2 1 284.400 -0.228 20 0 CBADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)C3(O)CCOCC3)C[C@]2(C)C1 ZINC001414037943 905334212 /nfs/dbraw/zinc/33/42/12/905334212.db2.gz TUNAMUWPPPALGU-RDBSUJKOSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)C3(O)CCOCC3)C[C@]2(C)C1 ZINC001414037943 905334227 /nfs/dbraw/zinc/33/42/27/905334227.db2.gz TUNAMUWPPPALGU-RDBSUJKOSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)C3(O)CCOCC3)C[C@]2(C)C1 ZINC001414037943 905334243 /nfs/dbraw/zinc/33/42/43/905334243.db2.gz TUNAMUWPPPALGU-RDBSUJKOSA-N 2 1 284.400 -0.228 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001507453737 921824471 /nfs/dbraw/zinc/82/44/71/921824471.db2.gz MXSBNULMWGBQMW-GFCCVEGCSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@H](C(=O)NCCN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC001415557674 905639326 /nfs/dbraw/zinc/63/93/26/905639326.db2.gz FQOKEBKTIWYGJX-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001416006605 905691923 /nfs/dbraw/zinc/69/19/23/905691923.db2.gz ZJZSUUFYXWLYHU-UHFFFAOYSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001416815449 905810499 /nfs/dbraw/zinc/81/04/99/905810499.db2.gz GZELUMCKVNDZHJ-UPJWGTAASA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001418081247 906163151 /nfs/dbraw/zinc/16/31/51/906163151.db2.gz AFPGNLGIVSIAFO-YHWZYXNKSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001418081247 906163160 /nfs/dbraw/zinc/16/31/60/906163160.db2.gz AFPGNLGIVSIAFO-YHWZYXNKSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001418081247 906163172 /nfs/dbraw/zinc/16/31/72/906163172.db2.gz AFPGNLGIVSIAFO-YHWZYXNKSA-N 2 1 296.415 -0.075 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001418112288 906171393 /nfs/dbraw/zinc/17/13/93/906171393.db2.gz FCFXZLKDNPYHTR-FRRDWIJNSA-N 2 1 287.404 -0.429 20 0 CBADMP 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 906188089 /nfs/dbraw/zinc/18/80/89/906188089.db2.gz BFSQAHIBLCGEFG-QNSTZXKLSA-N 2 1 283.416 0.000 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001418208941 906205454 /nfs/dbraw/zinc/20/54/54/906205454.db2.gz DZPSVUHUSRWVBL-QWRGUYRKSA-N 2 1 270.377 -0.689 20 0 CBADMP CCn1nncc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001418209960 906206208 /nfs/dbraw/zinc/20/62/08/906206208.db2.gz FTBYIQRTZDMSMX-DGCLKSJQSA-N 2 1 294.403 -0.014 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001418232074 906230169 /nfs/dbraw/zinc/23/01/69/906230169.db2.gz BRKQOXIHIZKKHH-QWRGUYRKSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cnn(C)n1 ZINC001418234683 906233090 /nfs/dbraw/zinc/23/30/90/906233090.db2.gz MBIIAWSQNVGEJQ-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cnn(C)n1 ZINC001418234683 906233107 /nfs/dbraw/zinc/23/31/07/906233107.db2.gz MBIIAWSQNVGEJQ-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001418296911 906271032 /nfs/dbraw/zinc/27/10/32/906271032.db2.gz CHTPHZGXSNRAGC-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP C[N@@H+](CC(=O)N1CC(N2CC[C@@H](O)C2)C1)[C@@H]1CCC[C@H]1O ZINC001418329530 906282542 /nfs/dbraw/zinc/28/25/42/906282542.db2.gz YZDAGTPYZPVKEH-MGPQQGTHSA-N 2 1 297.399 -0.891 20 0 CBADMP C[N@H+](CC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[C@@H]1CCC[C@H]1O ZINC001418329530 906282550 /nfs/dbraw/zinc/28/25/50/906282550.db2.gz YZDAGTPYZPVKEH-MGPQQGTHSA-N 2 1 297.399 -0.891 20 0 CBADMP C[N@@H+](CC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[C@@H]1CCC[C@H]1O ZINC001418329530 906282565 /nfs/dbraw/zinc/28/25/65/906282565.db2.gz YZDAGTPYZPVKEH-MGPQQGTHSA-N 2 1 297.399 -0.891 20 0 CBADMP C[NH+](CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[C@@H]1CCC[C@H]1O ZINC001418329530 906282602 /nfs/dbraw/zinc/28/26/02/906282602.db2.gz YZDAGTPYZPVKEH-MGPQQGTHSA-N 2 1 297.399 -0.891 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001418329822 906285337 /nfs/dbraw/zinc/28/53/37/906285337.db2.gz HWMVIPOCKFPVJX-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001418341595 906290762 /nfs/dbraw/zinc/29/07/62/906290762.db2.gz DQICQUREIVXBLN-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP COCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001418356418 906294775 /nfs/dbraw/zinc/29/47/75/906294775.db2.gz KAOIURJIXIUDBB-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001418356418 906294789 /nfs/dbraw/zinc/29/47/89/906294789.db2.gz KAOIURJIXIUDBB-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001418356418 906294803 /nfs/dbraw/zinc/29/48/03/906294803.db2.gz KAOIURJIXIUDBB-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001418356418 906294818 /nfs/dbraw/zinc/29/48/18/906294818.db2.gz KAOIURJIXIUDBB-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001418356413 906296665 /nfs/dbraw/zinc/29/66/65/906296665.db2.gz KAOIURJIXIUDBB-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001418356413 906296677 /nfs/dbraw/zinc/29/66/77/906296677.db2.gz KAOIURJIXIUDBB-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001418356413 906296690 /nfs/dbraw/zinc/29/66/90/906296690.db2.gz KAOIURJIXIUDBB-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001418356413 906296705 /nfs/dbraw/zinc/29/67/05/906296705.db2.gz KAOIURJIXIUDBB-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001418427364 906317923 /nfs/dbraw/zinc/31/79/23/906317923.db2.gz BNALRQDHZVUMHF-DOMZBBRYSA-N 2 1 296.415 -0.297 20 0 CBADMP CCCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001418519814 906381167 /nfs/dbraw/zinc/38/11/67/906381167.db2.gz OGEOBNMFEXKEEM-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001418519814 906381179 /nfs/dbraw/zinc/38/11/79/906381179.db2.gz OGEOBNMFEXKEEM-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001418519814 906381193 /nfs/dbraw/zinc/38/11/93/906381193.db2.gz OGEOBNMFEXKEEM-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418519814 906381211 /nfs/dbraw/zinc/38/12/11/906381211.db2.gz OGEOBNMFEXKEEM-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP Cn1nccc1CC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001418519316 906384067 /nfs/dbraw/zinc/38/40/67/906384067.db2.gz JPTKIAJROYUMBT-CYBMUJFWSA-N 2 1 293.415 -0.038 20 0 CBADMP Cn1nccc1CC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001418519316 906384076 /nfs/dbraw/zinc/38/40/76/906384076.db2.gz JPTKIAJROYUMBT-CYBMUJFWSA-N 2 1 293.415 -0.038 20 0 CBADMP Cn1nccc1CC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418519316 906384085 /nfs/dbraw/zinc/38/40/85/906384085.db2.gz JPTKIAJROYUMBT-CYBMUJFWSA-N 2 1 293.415 -0.038 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001418548140 906405911 /nfs/dbraw/zinc/40/59/11/906405911.db2.gz MWVNBQFVEFADBS-LBPRGKRZSA-N 2 1 282.388 -0.748 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001418548140 906405925 /nfs/dbraw/zinc/40/59/25/906405925.db2.gz MWVNBQFVEFADBS-LBPRGKRZSA-N 2 1 282.388 -0.748 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001418629629 906432904 /nfs/dbraw/zinc/43/29/04/906432904.db2.gz KPAGODZNURUSFH-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)CCC1 ZINC001418659553 906436795 /nfs/dbraw/zinc/43/67/95/906436795.db2.gz OJLFWHPGUQMAKD-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)C(N)=O ZINC001418728025 906457195 /nfs/dbraw/zinc/45/71/95/906457195.db2.gz CKHPTIGQPFPFAV-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)C(N)=O ZINC001418728025 906457182 /nfs/dbraw/zinc/45/71/82/906457182.db2.gz CKHPTIGQPFPFAV-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)C(N)=O ZINC001418728025 906457186 /nfs/dbraw/zinc/45/71/86/906457186.db2.gz CKHPTIGQPFPFAV-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[N@@H+](CCNC(=O)Cn1ccnc1)[C@H]1CCNC1=O ZINC001418735321 906459919 /nfs/dbraw/zinc/45/99/19/906459919.db2.gz ANDYEEGDTSYFDD-LBPRGKRZSA-N 2 1 293.371 -0.400 20 0 CBADMP CCCN(CCNC(=O)Cn1ccnc1)[C@H]1CCNC1=O ZINC001418735321 906459928 /nfs/dbraw/zinc/45/99/28/906459928.db2.gz ANDYEEGDTSYFDD-LBPRGKRZSA-N 2 1 293.371 -0.400 20 0 CBADMP C[C@H](CC[NH+](C)C)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001418747840 906464384 /nfs/dbraw/zinc/46/43/84/906464384.db2.gz MZXLCDCKLWPHEI-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](C(N)=O)[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001418812705 906486621 /nfs/dbraw/zinc/48/66/21/906486621.db2.gz NBOYAALAVACTPJ-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001418812705 906486634 /nfs/dbraw/zinc/48/66/34/906486634.db2.gz NBOYAALAVACTPJ-LLVKDONJSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001418821633 906488927 /nfs/dbraw/zinc/48/89/27/906488927.db2.gz RRVFYNKIJIUALT-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418905460 906510438 /nfs/dbraw/zinc/51/04/38/906510438.db2.gz SCWAUKVVZYRSRT-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001419062331 906581445 /nfs/dbraw/zinc/58/14/45/906581445.db2.gz BHXCBUMBVUMLIY-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1)[NH+](C)C ZINC001419062331 906581454 /nfs/dbraw/zinc/58/14/54/906581454.db2.gz BHXCBUMBVUMLIY-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP Cn1ncnc1C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001419282095 906656589 /nfs/dbraw/zinc/65/65/89/906656589.db2.gz KAQCSDMVGZISFM-LBPRGKRZSA-N 2 1 294.403 -0.249 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001419403377 906680687 /nfs/dbraw/zinc/68/06/87/906680687.db2.gz LOOQQDAASCOBQG-JHJVBQTASA-N 2 1 296.415 -0.156 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001419564141 906725294 /nfs/dbraw/zinc/72/52/94/906725294.db2.gz IJGNSTRDWZLLPI-GFCCVEGCSA-N 2 1 293.371 -0.495 20 0 CBADMP C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001419572073 906730255 /nfs/dbraw/zinc/73/02/55/906730255.db2.gz WNFPRYNWIOULPJ-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001419572073 906730268 /nfs/dbraw/zinc/73/02/68/906730268.db2.gz WNFPRYNWIOULPJ-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419572635 906731411 /nfs/dbraw/zinc/73/14/11/906731411.db2.gz XDKUOQRXDNRYNO-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419572635 906731422 /nfs/dbraw/zinc/73/14/22/906731422.db2.gz XDKUOQRXDNRYNO-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001419572561 906731989 /nfs/dbraw/zinc/73/19/89/906731989.db2.gz SNWMYWNAQMHBLE-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001419673801 906758773 /nfs/dbraw/zinc/75/87/73/906758773.db2.gz LMUKLESBVFJOSH-SDDRHHMPSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001419673797 906761444 /nfs/dbraw/zinc/76/14/44/906761444.db2.gz LMUKLESBVFJOSH-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419749327 906802941 /nfs/dbraw/zinc/80/29/41/906802941.db2.gz RVKCKJXEQIWBMM-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001419902635 906850005 /nfs/dbraw/zinc/85/00/05/906850005.db2.gz ONHURLQBDFNSMP-RYUDHWBXSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cn(C)nn1 ZINC001419906675 906853716 /nfs/dbraw/zinc/85/37/16/906853716.db2.gz RWNZALYSAMXBFK-NSHDSACASA-N 2 1 292.387 -0.495 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001419909085 906855513 /nfs/dbraw/zinc/85/55/13/906855513.db2.gz QHBPOLNDWQMNTI-STQMWFEESA-N 2 1 298.431 -0.195 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC ZINC001419928681 906859193 /nfs/dbraw/zinc/85/91/93/906859193.db2.gz AGAXGJBNXYMRFV-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ncnn1C ZINC001419928760 906863341 /nfs/dbraw/zinc/86/33/41/906863341.db2.gz ANHFAYMAEITUBZ-NSHDSACASA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ncnn1C ZINC001419928760 906863348 /nfs/dbraw/zinc/86/33/48/906863348.db2.gz ANHFAYMAEITUBZ-NSHDSACASA-N 2 1 282.392 -0.250 20 0 CBADMP COC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001419963229 906875599 /nfs/dbraw/zinc/87/55/99/906875599.db2.gz XUXREMBTJJCSJQ-STQMWFEESA-N 2 1 287.404 -0.258 20 0 CBADMP COC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001419963229 906875612 /nfs/dbraw/zinc/87/56/12/906875612.db2.gz XUXREMBTJJCSJQ-STQMWFEESA-N 2 1 287.404 -0.258 20 0 CBADMP COC[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001419963229 906875624 /nfs/dbraw/zinc/87/56/24/906875624.db2.gz XUXREMBTJJCSJQ-STQMWFEESA-N 2 1 287.404 -0.258 20 0 CBADMP COC[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001419963229 906875635 /nfs/dbraw/zinc/87/56/35/906875635.db2.gz XUXREMBTJJCSJQ-STQMWFEESA-N 2 1 287.404 -0.258 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001420013633 906901223 /nfs/dbraw/zinc/90/12/23/906901223.db2.gz XJYQPPAZZHPVNI-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001420013629 906902437 /nfs/dbraw/zinc/90/24/37/906902437.db2.gz XJYQPPAZZHPVNI-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H](C)C(=O)NC ZINC001420039806 906906942 /nfs/dbraw/zinc/90/69/42/906906942.db2.gz PWOOQUYHLQIYHS-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H](C)C(=O)NC ZINC001420039806 906906959 /nfs/dbraw/zinc/90/69/59/906906959.db2.gz PWOOQUYHLQIYHS-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC ZINC001420039806 906906971 /nfs/dbraw/zinc/90/69/71/906906971.db2.gz PWOOQUYHLQIYHS-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC ZINC001420039806 906906987 /nfs/dbraw/zinc/90/69/87/906906987.db2.gz PWOOQUYHLQIYHS-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001420145430 906972564 /nfs/dbraw/zinc/97/25/64/906972564.db2.gz KHQJERIHPMVDPG-CYBMUJFWSA-N 2 1 296.415 -0.931 20 0 CBADMP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001420169111 906985129 /nfs/dbraw/zinc/98/51/29/906985129.db2.gz JCUUBTVSBBVFIU-QWHCGFSZSA-N 2 1 295.387 -0.919 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001420219995 907027884 /nfs/dbraw/zinc/02/78/84/907027884.db2.gz FDBCWHGKVBEMRI-ZYHUDNBSSA-N 2 1 295.387 -0.190 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001420243519 907043280 /nfs/dbraw/zinc/04/32/80/907043280.db2.gz JMUQRLSTZTXPHL-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001420243519 907043291 /nfs/dbraw/zinc/04/32/91/907043291.db2.gz JMUQRLSTZTXPHL-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001420246400 907044671 /nfs/dbraw/zinc/04/46/71/907044671.db2.gz OUSIXFAJKHNCQX-VXGBXAGGSA-N 2 1 284.404 -0.301 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420247313 907045954 /nfs/dbraw/zinc/04/59/54/907045954.db2.gz DPHJQUZPMFWUPJ-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001420336423 907110459 /nfs/dbraw/zinc/11/04/59/907110459.db2.gz AGCXQFORHQNIIU-UPJWGTAASA-N 2 1 287.404 -0.570 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@H]1CCOC1 ZINC001420378690 907126170 /nfs/dbraw/zinc/12/61/70/907126170.db2.gz GJKVHDJPIMLMSN-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@H]1CCOC1 ZINC001420378690 907126177 /nfs/dbraw/zinc/12/61/77/907126177.db2.gz GJKVHDJPIMLMSN-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C[C@H]1CCOC1 ZINC001420378690 907126188 /nfs/dbraw/zinc/12/61/88/907126188.db2.gz GJKVHDJPIMLMSN-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@H]1CCOC1 ZINC001420378690 907126194 /nfs/dbraw/zinc/12/61/94/907126194.db2.gz GJKVHDJPIMLMSN-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@@H](C)OC ZINC001420379173 907129403 /nfs/dbraw/zinc/12/94/03/907129403.db2.gz IPOZEUIPFSKPEL-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@@H](C)OC ZINC001420379173 907129420 /nfs/dbraw/zinc/12/94/20/907129420.db2.gz IPOZEUIPFSKPEL-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C[C@@H](C)OC ZINC001420379173 907129430 /nfs/dbraw/zinc/12/94/30/907129430.db2.gz IPOZEUIPFSKPEL-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C[C@@H](C)OC ZINC001420379173 907129442 /nfs/dbraw/zinc/12/94/42/907129442.db2.gz IPOZEUIPFSKPEL-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(=O)N(C)C ZINC001420434283 907158176 /nfs/dbraw/zinc/15/81/76/907158176.db2.gz GQDPXMQCZMFZRE-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(=O)N(C)C ZINC001420434283 907158184 /nfs/dbraw/zinc/15/81/84/907158184.db2.gz GQDPXMQCZMFZRE-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CC(=O)N(C)C ZINC001420434283 907158189 /nfs/dbraw/zinc/15/81/89/907158189.db2.gz GQDPXMQCZMFZRE-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CC(=O)N(C)C ZINC001420434283 907158196 /nfs/dbraw/zinc/15/81/96/907158196.db2.gz GQDPXMQCZMFZRE-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001420511211 907189754 /nfs/dbraw/zinc/18/97/54/907189754.db2.gz SFNPQYZUNJUKRQ-UWVGGRQHSA-N 2 1 281.360 -0.580 20 0 CBADMP C[C@@H](C[N@@H+](C)CCn1cncn1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001420539504 907201773 /nfs/dbraw/zinc/20/17/73/907201773.db2.gz NCIKCDUYKSJMFM-STQMWFEESA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@@H](C[NH+](C)CCn1cncn1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001420539504 907201791 /nfs/dbraw/zinc/20/17/91/907201791.db2.gz NCIKCDUYKSJMFM-STQMWFEESA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@@H](C[NH+](C)CCn1cncn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001420539504 907201810 /nfs/dbraw/zinc/20/18/10/907201810.db2.gz NCIKCDUYKSJMFM-STQMWFEESA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@H](C[N@@H+](C)CCn1cncn1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001420539492 907203245 /nfs/dbraw/zinc/20/32/45/907203245.db2.gz NCIKCDUYKSJMFM-OLZOCXBDSA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@H](C[NH+](C)CCn1cncn1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001420539492 907203252 /nfs/dbraw/zinc/20/32/52/907203252.db2.gz NCIKCDUYKSJMFM-OLZOCXBDSA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@H](C[NH+](C)CCn1cncn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001420539492 907203265 /nfs/dbraw/zinc/20/32/65/907203265.db2.gz NCIKCDUYKSJMFM-OLZOCXBDSA-N 2 1 294.403 -0.191 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001420555105 907209899 /nfs/dbraw/zinc/20/98/99/907209899.db2.gz WZIJROOTFOADQD-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001420555105 907209923 /nfs/dbraw/zinc/20/99/23/907209923.db2.gz WZIJROOTFOADQD-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001420555105 907209939 /nfs/dbraw/zinc/20/99/39/907209939.db2.gz WZIJROOTFOADQD-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001420562936 907218734 /nfs/dbraw/zinc/21/87/34/907218734.db2.gz IRBIRLXZIALESI-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001420562936 907218755 /nfs/dbraw/zinc/21/87/55/907218755.db2.gz IRBIRLXZIALESI-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001420562936 907218773 /nfs/dbraw/zinc/21/87/73/907218773.db2.gz IRBIRLXZIALESI-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001420679639 907265917 /nfs/dbraw/zinc/26/59/17/907265917.db2.gz RRAQPYLPCHVOSP-NEPJUHHUSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001420679639 907265929 /nfs/dbraw/zinc/26/59/29/907265929.db2.gz RRAQPYLPCHVOSP-NEPJUHHUSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001420679639 907265945 /nfs/dbraw/zinc/26/59/45/907265945.db2.gz RRAQPYLPCHVOSP-NEPJUHHUSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001420679639 907265961 /nfs/dbraw/zinc/26/59/61/907265961.db2.gz RRAQPYLPCHVOSP-NEPJUHHUSA-N 2 1 286.420 -0.102 20 0 CBADMP CN1CCC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001420876674 907333303 /nfs/dbraw/zinc/33/33/03/907333303.db2.gz MCWFEVNEXLCDGF-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CCC[C@@H]([N@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001420876674 907333319 /nfs/dbraw/zinc/33/33/19/907333319.db2.gz MCWFEVNEXLCDGF-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420882645 907338048 /nfs/dbraw/zinc/33/80/48/907338048.db2.gz BZCKRIAQQIDTPA-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCC[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001420882645 907338066 /nfs/dbraw/zinc/33/80/66/907338066.db2.gz BZCKRIAQQIDTPA-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001420882645 907338092 /nfs/dbraw/zinc/33/80/92/907338092.db2.gz BZCKRIAQQIDTPA-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCC1 ZINC001502026959 921319741 /nfs/dbraw/zinc/31/97/41/921319741.db2.gz YSPWPTXLAXVGRH-UHFFFAOYSA-N 2 1 293.371 -0.434 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001421003357 907385750 /nfs/dbraw/zinc/38/57/50/907385750.db2.gz CDKLQQTYFFIIHY-GFCCVEGCSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1 ZINC001421007162 907391440 /nfs/dbraw/zinc/39/14/40/907391440.db2.gz VUHYMZYCWNNJKP-VXGBXAGGSA-N 2 1 296.415 -0.027 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCC3)CC2)C1 ZINC001421006236 907392789 /nfs/dbraw/zinc/39/27/89/907392789.db2.gz YKJGBUHLBJVDIG-LBPRGKRZSA-N 2 1 294.399 -0.591 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CC(=O)N(C)C)C1 ZINC001421210932 907464935 /nfs/dbraw/zinc/46/49/35/907464935.db2.gz JGMYOQONNFTWOB-HNNXBMFYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CC(=O)N(C)C)C1 ZINC001421210932 907464941 /nfs/dbraw/zinc/46/49/41/907464941.db2.gz JGMYOQONNFTWOB-HNNXBMFYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC(=O)N(C)C)C1 ZINC001421210932 907464945 /nfs/dbraw/zinc/46/49/45/907464945.db2.gz JGMYOQONNFTWOB-HNNXBMFYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001421210932 907464951 /nfs/dbraw/zinc/46/49/51/907464951.db2.gz JGMYOQONNFTWOB-HNNXBMFYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001421212629 907466467 /nfs/dbraw/zinc/46/64/67/907466467.db2.gz VRMOKCOJMLQKCU-HNNXBMFYSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001421212629 907466480 /nfs/dbraw/zinc/46/64/80/907466480.db2.gz VRMOKCOJMLQKCU-HNNXBMFYSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001421212632 907468229 /nfs/dbraw/zinc/46/82/29/907468229.db2.gz VRMOKCOJMLQKCU-OAHLLOKOSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001421212632 907468240 /nfs/dbraw/zinc/46/82/40/907468240.db2.gz VRMOKCOJMLQKCU-OAHLLOKOSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+](CC(=O)NC[C@]1(O)CC[NH+](CCO)C1)C1CCC1 ZINC001421370268 907512431 /nfs/dbraw/zinc/51/24/31/907512431.db2.gz RRYGQZAEHRWUER-CQSZACIVSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@H+](CCO)C1)C1CCC1 ZINC001421370268 907512435 /nfs/dbraw/zinc/51/24/35/907512435.db2.gz RRYGQZAEHRWUER-CQSZACIVSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)C1CCC1 ZINC001421370268 907512443 /nfs/dbraw/zinc/51/24/43/907512443.db2.gz RRYGQZAEHRWUER-CQSZACIVSA-N 2 1 285.388 -0.984 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001421383772 907517414 /nfs/dbraw/zinc/51/74/14/907517414.db2.gz CSIYGLRZSDPOKZ-OCCSQVGLSA-N 2 1 287.404 -0.740 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](C[C@@H](C)O)C1 ZINC001421383772 907517424 /nfs/dbraw/zinc/51/74/24/907517424.db2.gz CSIYGLRZSDPOKZ-OCCSQVGLSA-N 2 1 287.404 -0.740 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](C[C@@H](C)O)C1 ZINC001421383772 907517432 /nfs/dbraw/zinc/51/74/32/907517432.db2.gz CSIYGLRZSDPOKZ-OCCSQVGLSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001421421365 907539424 /nfs/dbraw/zinc/53/94/24/907539424.db2.gz KFNPEGZJWPUKCA-AAEUAGOBSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001421483279 907562640 /nfs/dbraw/zinc/56/26/40/907562640.db2.gz AHJJQHNLRVXVKE-VXGBXAGGSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001421483275 907562923 /nfs/dbraw/zinc/56/29/23/907562923.db2.gz AHJJQHNLRVXVKE-RYUDHWBXSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001421526330 907575102 /nfs/dbraw/zinc/57/51/02/907575102.db2.gz HBVDDCBNKLDPAP-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001421548762 907581411 /nfs/dbraw/zinc/58/14/11/907581411.db2.gz DNGHQVMQZOXXDM-OLZOCXBDSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001421626456 907595354 /nfs/dbraw/zinc/59/53/54/907595354.db2.gz QVOPIWCADPCGJX-TZMCWYRMSA-N 2 1 287.404 -0.738 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cn(C)nn1 ZINC001421682455 907610445 /nfs/dbraw/zinc/61/04/45/907610445.db2.gz ZVKRVZVRDYDGEG-YPMHNXCESA-N 2 1 294.403 -0.249 20 0 CBADMP CC(C)(O)[C@@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC001421866241 907660999 /nfs/dbraw/zinc/66/09/99/907660999.db2.gz WBFDGMVVDXJTJN-ZDUSSCGKSA-N 2 1 286.416 -0.055 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001421920689 907682145 /nfs/dbraw/zinc/68/21/45/907682145.db2.gz APROOJUNGZTSGC-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001502135094 921344326 /nfs/dbraw/zinc/34/43/26/921344326.db2.gz GXLCYMZUPGHYQX-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421996810 907700168 /nfs/dbraw/zinc/70/01/68/907700168.db2.gz XESDDAMMNAXMIG-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421989685 907700211 /nfs/dbraw/zinc/70/02/11/907700211.db2.gz MFQGJNSGBRIAGX-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421989685 907700218 /nfs/dbraw/zinc/70/02/18/907700218.db2.gz MFQGJNSGBRIAGX-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001422057872 907709154 /nfs/dbraw/zinc/70/91/54/907709154.db2.gz YBIGZCOJDSZFEA-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)C[C@H](C)O)C1 ZINC001422229178 907752053 /nfs/dbraw/zinc/75/20/53/907752053.db2.gz GOHZPLDOYAMOGU-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)C[C@H](C)O)C1 ZINC001422229178 907752063 /nfs/dbraw/zinc/75/20/63/907752063.db2.gz GOHZPLDOYAMOGU-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)CC[N@H+](C)C[C@H](C)O)C1 ZINC001422229178 907752069 /nfs/dbraw/zinc/75/20/69/907752069.db2.gz GOHZPLDOYAMOGU-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)CC[N@@H+](C)C[C@H](C)O)C1 ZINC001422229178 907752077 /nfs/dbraw/zinc/75/20/77/907752077.db2.gz GOHZPLDOYAMOGU-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001422238518 907758845 /nfs/dbraw/zinc/75/88/45/907758845.db2.gz RMCQDGYWPGETTC-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001422238518 907758853 /nfs/dbraw/zinc/75/88/53/907758853.db2.gz RMCQDGYWPGETTC-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422238518 907758865 /nfs/dbraw/zinc/75/88/65/907758865.db2.gz RMCQDGYWPGETTC-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422238518 907758879 /nfs/dbraw/zinc/75/88/79/907758879.db2.gz RMCQDGYWPGETTC-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001422454344 907870181 /nfs/dbraw/zinc/87/01/81/907870181.db2.gz YXNYFRNIZHEXRT-CMPLNLGQSA-N 2 1 293.371 -0.436 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001422490111 907892473 /nfs/dbraw/zinc/89/24/73/907892473.db2.gz YMFXFAMLVJCGPM-FRRDWIJNSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001422503906 907898924 /nfs/dbraw/zinc/89/89/24/907898924.db2.gz DEVZRRQAFUHEAV-ZJUUUORDSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001422548607 907921285 /nfs/dbraw/zinc/92/12/85/907921285.db2.gz DGPTZVIGPPPTSI-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422591560 907936556 /nfs/dbraw/zinc/93/65/56/907936556.db2.gz SBRIRLTTZIMWMP-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422591560 907936565 /nfs/dbraw/zinc/93/65/65/907936565.db2.gz SBRIRLTTZIMWMP-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422588643 907937784 /nfs/dbraw/zinc/93/77/84/907937784.db2.gz FXFNCEAKCNMDGR-GHMZBOCLSA-N 2 1 270.377 -0.832 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC(=O)N(C)C ZINC001422597969 907940592 /nfs/dbraw/zinc/94/05/92/907940592.db2.gz LPBPIJCAXDIYOR-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CC(=O)N(C)C ZINC001422597969 907940601 /nfs/dbraw/zinc/94/06/01/907940601.db2.gz LPBPIJCAXDIYOR-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422727932 907985103 /nfs/dbraw/zinc/98/51/03/907985103.db2.gz FQQHMIYNEAYYII-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422727937 907988913 /nfs/dbraw/zinc/98/89/13/907988913.db2.gz FQQHMIYNEAYYII-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001422813768 908020186 /nfs/dbraw/zinc/02/01/86/908020186.db2.gz VLPMLXLBSXUWBE-ZYHUDNBSSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001422813768 908020202 /nfs/dbraw/zinc/02/02/02/908020202.db2.gz VLPMLXLBSXUWBE-ZYHUDNBSSA-N 2 1 282.388 -0.750 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCO)C1 ZINC001422846046 908030951 /nfs/dbraw/zinc/03/09/51/908030951.db2.gz AYFPNZHECRCLLY-STQMWFEESA-N 2 1 296.371 -0.611 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCO)C1 ZINC001422846039 908034097 /nfs/dbraw/zinc/03/40/97/908034097.db2.gz AYFPNZHECRCLLY-OLZOCXBDSA-N 2 1 296.371 -0.611 20 0 CBADMP C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001422883763 908043553 /nfs/dbraw/zinc/04/35/53/908043553.db2.gz IEXDZNNSUIKFBN-GHMZBOCLSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001422883763 908043569 /nfs/dbraw/zinc/04/35/69/908043569.db2.gz IEXDZNNSUIKFBN-GHMZBOCLSA-N 2 1 284.404 -0.362 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001422882698 908043985 /nfs/dbraw/zinc/04/39/85/908043985.db2.gz ZTAKVVGZGRYXCA-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001422882698 908043994 /nfs/dbraw/zinc/04/39/94/908043994.db2.gz ZTAKVVGZGRYXCA-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001422882698 908044009 /nfs/dbraw/zinc/04/40/09/908044009.db2.gz ZTAKVVGZGRYXCA-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001422882698 908044023 /nfs/dbraw/zinc/04/40/23/908044023.db2.gz ZTAKVVGZGRYXCA-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001422883764 908045521 /nfs/dbraw/zinc/04/55/21/908045521.db2.gz IEXDZNNSUIKFBN-MNOVXSKESA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001422883764 908045537 /nfs/dbraw/zinc/04/55/37/908045537.db2.gz IEXDZNNSUIKFBN-MNOVXSKESA-N 2 1 284.404 -0.362 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001422896899 908052935 /nfs/dbraw/zinc/05/29/35/908052935.db2.gz VSWRVRJQNBKVNN-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001422940276 908060897 /nfs/dbraw/zinc/06/08/97/908060897.db2.gz YINVJMOPNYALDG-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001422940276 908060912 /nfs/dbraw/zinc/06/09/12/908060912.db2.gz YINVJMOPNYALDG-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001422940274 908061497 /nfs/dbraw/zinc/06/14/97/908061497.db2.gz YINVJMOPNYALDG-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001422940274 908061511 /nfs/dbraw/zinc/06/15/11/908061511.db2.gz YINVJMOPNYALDG-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)C[NH+]1CCCC1 ZINC001422939048 908062587 /nfs/dbraw/zinc/06/25/87/908062587.db2.gz UNGDYQDAYIJIJA-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)C[NH+]1CCCC1 ZINC001422939048 908062596 /nfs/dbraw/zinc/06/25/96/908062596.db2.gz UNGDYQDAYIJIJA-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001423039961 908086028 /nfs/dbraw/zinc/08/60/28/908086028.db2.gz GXJWDXCSKRTQHL-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001423115663 908113046 /nfs/dbraw/zinc/11/30/46/908113046.db2.gz PPKZJOIMDVMVET-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001423115663 908113053 /nfs/dbraw/zinc/11/30/53/908113053.db2.gz PPKZJOIMDVMVET-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001423115663 908113060 /nfs/dbraw/zinc/11/30/60/908113060.db2.gz PPKZJOIMDVMVET-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001423115663 908113066 /nfs/dbraw/zinc/11/30/66/908113066.db2.gz PPKZJOIMDVMVET-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CCCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423173133 908125922 /nfs/dbraw/zinc/12/59/22/908125922.db2.gz YYPPFIIDFWEQRX-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001423171894 908126072 /nfs/dbraw/zinc/12/60/72/908126072.db2.gz VKPBCOCDXANVJT-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP CC(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001423193085 908143651 /nfs/dbraw/zinc/14/36/51/908143651.db2.gz HLYVJQLQLYFAHE-NWDGAFQWSA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001423193085 908143659 /nfs/dbraw/zinc/14/36/59/908143659.db2.gz HLYVJQLQLYFAHE-NWDGAFQWSA-N 2 1 273.377 -0.960 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1)C(N)=O ZINC001423224682 908168183 /nfs/dbraw/zinc/16/81/83/908168183.db2.gz FPDHKNQOKHCJGD-MNOVXSKESA-N 2 1 282.388 -0.417 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001423260233 908179117 /nfs/dbraw/zinc/17/91/17/908179117.db2.gz RHHAALUIHZPJBG-VIFPVBQESA-N 2 1 287.389 -0.944 20 0 CBADMP O=C(C[NH2+]C1COCCOC1)NCC[NH+]1CCCCCC1 ZINC001423255310 908179382 /nfs/dbraw/zinc/17/93/82/908179382.db2.gz VGWYYJWYOGFVCQ-UHFFFAOYSA-N 2 1 299.415 -0.016 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC001502738179 921386878 /nfs/dbraw/zinc/38/68/78/921386878.db2.gz KADHYYHXJRIFDO-AAEUAGOBSA-N 2 1 294.403 -0.297 20 0 CBADMP C[NH+](C)[C@H](C(=O)NC[C@H](CO)[NH2+]CCO)c1ccccc1 ZINC001423299804 908194151 /nfs/dbraw/zinc/19/41/51/908194151.db2.gz JSYDAGUXNHDNPR-KGLIPLIRSA-N 2 1 295.383 -0.652 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CC[NH+](C)C ZINC001423354667 908212445 /nfs/dbraw/zinc/21/24/45/908212445.db2.gz NJESWJRWSCNQHR-NWDGAFQWSA-N 2 1 294.403 -0.154 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001423434079 908235570 /nfs/dbraw/zinc/23/55/70/908235570.db2.gz DCCSEHLVDVLWEF-AAEUAGOBSA-N 2 1 285.388 -0.912 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001423434079 908235587 /nfs/dbraw/zinc/23/55/87/908235587.db2.gz DCCSEHLVDVLWEF-AAEUAGOBSA-N 2 1 285.388 -0.912 20 0 CBADMP COCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001423582601 908283144 /nfs/dbraw/zinc/28/31/44/908283144.db2.gz RMTKVBGXNVDOND-OAHLLOKOSA-N 2 1 299.415 -0.064 20 0 CBADMP COCC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001423582601 908283160 /nfs/dbraw/zinc/28/31/60/908283160.db2.gz RMTKVBGXNVDOND-OAHLLOKOSA-N 2 1 299.415 -0.064 20 0 CBADMP COCC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001423582600 908283348 /nfs/dbraw/zinc/28/33/48/908283348.db2.gz RMTKVBGXNVDOND-HNNXBMFYSA-N 2 1 299.415 -0.064 20 0 CBADMP COCC[N@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001423582600 908283358 /nfs/dbraw/zinc/28/33/58/908283358.db2.gz RMTKVBGXNVDOND-HNNXBMFYSA-N 2 1 299.415 -0.064 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001423586458 908286440 /nfs/dbraw/zinc/28/64/40/908286440.db2.gz NWTXZFJQEWQGGN-SMDDNHRTSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001423586458 908286454 /nfs/dbraw/zinc/28/64/54/908286454.db2.gz NWTXZFJQEWQGGN-SMDDNHRTSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001423586458 908286465 /nfs/dbraw/zinc/28/64/65/908286465.db2.gz NWTXZFJQEWQGGN-SMDDNHRTSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001423586458 908286477 /nfs/dbraw/zinc/28/64/77/908286477.db2.gz NWTXZFJQEWQGGN-SMDDNHRTSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001423571389 908287131 /nfs/dbraw/zinc/28/71/31/908287131.db2.gz HPJZTOBGWJMSHV-ZDUSSCGKSA-N 2 1 270.377 -0.606 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001423571389 908287145 /nfs/dbraw/zinc/28/71/45/908287145.db2.gz HPJZTOBGWJMSHV-ZDUSSCGKSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001423589506 908292374 /nfs/dbraw/zinc/29/23/74/908292374.db2.gz UFGAYCWFJUFHFY-BXUZGUMPSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001423710313 908308816 /nfs/dbraw/zinc/30/88/16/908308816.db2.gz INXBDCDOUAHTNY-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001423710313 908308830 /nfs/dbraw/zinc/30/88/30/908308830.db2.gz INXBDCDOUAHTNY-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001423763334 908326609 /nfs/dbraw/zinc/32/66/09/908326609.db2.gz MOOOBFRVFASWJE-HIFRSBDPSA-N 2 1 281.400 -0.099 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001423943611 908374347 /nfs/dbraw/zinc/37/43/47/908374347.db2.gz CWZGXHYVXUOGGB-STQMWFEESA-N 2 1 298.431 -0.242 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001423967928 908375642 /nfs/dbraw/zinc/37/56/42/908375642.db2.gz XRIIKJTZVWLSLE-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001424330472 908444158 /nfs/dbraw/zinc/44/41/58/908444158.db2.gz GCZCHMUCTHLQLT-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(CC(N)=O)[C@@H](C)C1 ZINC001424554574 908470663 /nfs/dbraw/zinc/47/06/63/908470663.db2.gz WHAUJRRRAKJACX-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)[C@@H](C)C1 ZINC001424554574 908470670 /nfs/dbraw/zinc/47/06/70/908470670.db2.gz WHAUJRRRAKJACX-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)[C@@H](C)C1 ZINC001424554574 908470679 /nfs/dbraw/zinc/47/06/79/908470679.db2.gz WHAUJRRRAKJACX-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC001424554574 908470688 /nfs/dbraw/zinc/47/06/88/908470688.db2.gz WHAUJRRRAKJACX-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001424546340 908470783 /nfs/dbraw/zinc/47/07/83/908470783.db2.gz JVZYKIBPKRSPPH-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001424717768 908491189 /nfs/dbraw/zinc/49/11/89/908491189.db2.gz WWCCTTCQGIFIGQ-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001424717768 908491197 /nfs/dbraw/zinc/49/11/97/908491197.db2.gz WWCCTTCQGIFIGQ-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001424733231 908494287 /nfs/dbraw/zinc/49/42/87/908494287.db2.gz GRJFANAGNATLDK-BPCQOVAHSA-N 2 1 296.415 -0.170 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H]1CCNC1=O ZINC001425047831 908556756 /nfs/dbraw/zinc/55/67/56/908556756.db2.gz ACOJMNWXBGRPFB-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC001425047831 908556767 /nfs/dbraw/zinc/55/67/67/908556767.db2.gz ACOJMNWXBGRPFB-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001425047831 908556781 /nfs/dbraw/zinc/55/67/81/908556781.db2.gz ACOJMNWXBGRPFB-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H](C)C(N)=O ZINC001425058214 908562924 /nfs/dbraw/zinc/56/29/24/908562924.db2.gz SQYHEORWLTWEFU-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H](C)C(N)=O ZINC001425058214 908562929 /nfs/dbraw/zinc/56/29/29/908562929.db2.gz SQYHEORWLTWEFU-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001425058214 908562937 /nfs/dbraw/zinc/56/29/37/908562937.db2.gz SQYHEORWLTWEFU-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001425058214 908562950 /nfs/dbraw/zinc/56/29/50/908562950.db2.gz SQYHEORWLTWEFU-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCO)C1 ZINC001425070169 908568690 /nfs/dbraw/zinc/56/86/90/908568690.db2.gz NZZAAHFUCTWRQE-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCO)C1 ZINC001425070169 908568701 /nfs/dbraw/zinc/56/87/01/908568701.db2.gz NZZAAHFUCTWRQE-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCO)C1 ZINC001425070169 908568710 /nfs/dbraw/zinc/56/87/10/908568710.db2.gz NZZAAHFUCTWRQE-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCO)C1 ZINC001425070169 908568720 /nfs/dbraw/zinc/56/87/20/908568720.db2.gz NZZAAHFUCTWRQE-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@]2(C1)C[NH+](CCO)CCO2 ZINC001425275697 908603281 /nfs/dbraw/zinc/60/32/81/908603281.db2.gz BCJJWYVWEVMHKN-OAHLLOKOSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@]2(C1)C[NH+](CCO)CCO2 ZINC001425275697 908603286 /nfs/dbraw/zinc/60/32/86/908603286.db2.gz BCJJWYVWEVMHKN-OAHLLOKOSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC001425275697 908603288 /nfs/dbraw/zinc/60/32/88/908603288.db2.gz BCJJWYVWEVMHKN-OAHLLOKOSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC001425275697 908603293 /nfs/dbraw/zinc/60/32/93/908603293.db2.gz BCJJWYVWEVMHKN-OAHLLOKOSA-N 2 1 299.415 -0.376 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001425316848 908616919 /nfs/dbraw/zinc/61/69/19/908616919.db2.gz AOZFXPLHTAQIIB-ZDEQEGDKSA-N 2 1 296.415 -0.633 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001505445037 921426219 /nfs/dbraw/zinc/42/62/19/921426219.db2.gz NMKMIVUQIGFTFF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001505445037 921426224 /nfs/dbraw/zinc/42/62/24/921426224.db2.gz NMKMIVUQIGFTFF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP O=C(NC[C@@H](CO)[NH2+]CCO)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001425751190 908726846 /nfs/dbraw/zinc/72/68/46/908726846.db2.gz IVAPVLIYUJSSOK-JSGCOSHPSA-N 2 1 299.415 -0.548 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]Cc1ccccn1 ZINC001425835281 908757882 /nfs/dbraw/zinc/75/78/82/908757882.db2.gz HVIIOYMTUZCWDM-CQSZACIVSA-N 2 1 292.383 -0.256 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)CN1C(=O)CC[NH+](C)C ZINC001425914700 908777717 /nfs/dbraw/zinc/77/77/17/908777717.db2.gz WNSMNMCAPZSXJZ-NWDGAFQWSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001425953461 908787170 /nfs/dbraw/zinc/78/71/70/908787170.db2.gz CFWDKOASCBNHOB-NEPJUHHUSA-N 2 1 284.404 -0.314 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001425978970 908792869 /nfs/dbraw/zinc/79/28/69/908792869.db2.gz XFRRXNQBMXXDBK-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001425978966 908794760 /nfs/dbraw/zinc/79/47/60/908794760.db2.gz XFRRXNQBMXXDBK-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP Cc1nc(C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C)co1 ZINC001426032847 908808414 /nfs/dbraw/zinc/80/84/14/908808414.db2.gz WFTYSPOXVVJCEN-ZDUSSCGKSA-N 2 1 298.387 -0.156 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001426076900 908821795 /nfs/dbraw/zinc/82/17/95/908821795.db2.gz KLUGHLXWQYPZTQ-ZIAGYGMSSA-N 2 1 299.415 -0.928 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001429192434 909214133 /nfs/dbraw/zinc/21/41/33/909214133.db2.gz GPSHTBDPFQNWSR-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001429192434 909214143 /nfs/dbraw/zinc/21/41/43/909214143.db2.gz GPSHTBDPFQNWSR-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001429192434 909214155 /nfs/dbraw/zinc/21/41/55/909214155.db2.gz GPSHTBDPFQNWSR-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(CCNC(=O)CC[NH+](C)C)C(=O)C[N@@H+](C)C1CCC1 ZINC001429471225 909246685 /nfs/dbraw/zinc/24/66/85/909246685.db2.gz OOZCIKWIWODINC-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001430262042 909319223 /nfs/dbraw/zinc/31/92/23/909319223.db2.gz FLJOPGILLNHEJM-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(CCNC(=O)CC[NH+](C)C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001431488740 909481201 /nfs/dbraw/zinc/48/12/01/909481201.db2.gz GRZSOAIMQZEHPT-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001433695519 909820759 /nfs/dbraw/zinc/82/07/59/909820759.db2.gz POLAVERKDXZQKC-BFHYXJOUSA-N 2 1 298.431 -0.806 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001433695519 909820775 /nfs/dbraw/zinc/82/07/75/909820775.db2.gz POLAVERKDXZQKC-BFHYXJOUSA-N 2 1 298.431 -0.806 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001433695519 909820792 /nfs/dbraw/zinc/82/07/92/909820792.db2.gz POLAVERKDXZQKC-BFHYXJOUSA-N 2 1 298.431 -0.806 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@]3(O)CCC[NH+](C)C3)C[C@@H]21 ZINC001434012455 909957455 /nfs/dbraw/zinc/95/74/55/909957455.db2.gz JLNDAWTUSKXDIC-VNHYZAJKSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)C[C@]3(O)CCC[N@H+](C)C3)C[C@@H]21 ZINC001434012455 909957461 /nfs/dbraw/zinc/95/74/61/909957461.db2.gz JLNDAWTUSKXDIC-VNHYZAJKSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)C[C@]3(O)CCC[N@@H+](C)C3)C[C@@H]21 ZINC001434012455 909957469 /nfs/dbraw/zinc/95/74/69/909957469.db2.gz JLNDAWTUSKXDIC-VNHYZAJKSA-N 2 1 281.400 -0.004 20 0 CBADMP COC[C@](C)(CC(=O)OC)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC001434461688 910200099 /nfs/dbraw/zinc/20/00/99/910200099.db2.gz LOJYQTYCNPNPGU-OCCSQVGLSA-N 2 1 288.388 -0.001 20 0 CBADMP COC[C@](C)(CC(=O)OC)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC001434461688 910200117 /nfs/dbraw/zinc/20/01/17/910200117.db2.gz LOJYQTYCNPNPGU-OCCSQVGLSA-N 2 1 288.388 -0.001 20 0 CBADMP COC[C@@](C)(CC(=O)OC)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC001434461686 910201639 /nfs/dbraw/zinc/20/16/39/910201639.db2.gz LOJYQTYCNPNPGU-GXTWGEPZSA-N 2 1 288.388 -0.001 20 0 CBADMP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC001434461686 910201650 /nfs/dbraw/zinc/20/16/50/910201650.db2.gz LOJYQTYCNPNPGU-GXTWGEPZSA-N 2 1 288.388 -0.001 20 0 CBADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)C[N@H+]1CCO ZINC001434475256 910216297 /nfs/dbraw/zinc/21/62/97/910216297.db2.gz GXBKFPVFOCBIIQ-IPYPFGDCSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)[C@@H](C)C[NH+]1CCO ZINC001434475256 910216316 /nfs/dbraw/zinc/21/63/16/910216316.db2.gz GXBKFPVFOCBIIQ-IPYPFGDCSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H](C)C[NH+]1CCO ZINC001434475256 910216331 /nfs/dbraw/zinc/21/63/31/910216331.db2.gz GXBKFPVFOCBIIQ-IPYPFGDCSA-N 2 1 285.432 -0.172 20 0 CBADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[NH+](CCCO)CC1 ZINC001434859292 910391595 /nfs/dbraw/zinc/39/15/95/910391595.db2.gz GOXPAQCKHVGQKU-CQSZACIVSA-N 2 1 281.400 -0.145 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436691304 910468817 /nfs/dbraw/zinc/46/88/17/910468817.db2.gz ZIQQVEOZVYFWBY-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436691304 910468834 /nfs/dbraw/zinc/46/88/34/910468834.db2.gz ZIQQVEOZVYFWBY-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)CC(N)=O)C1 ZINC001436846238 910494679 /nfs/dbraw/zinc/49/46/79/910494679.db2.gz DFIITMITNUFGQF-ZDUSSCGKSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001436846238 910494688 /nfs/dbraw/zinc/49/46/88/910494688.db2.gz DFIITMITNUFGQF-ZDUSSCGKSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001436846238 910494696 /nfs/dbraw/zinc/49/46/96/910494696.db2.gz DFIITMITNUFGQF-ZDUSSCGKSA-N 2 1 298.431 -0.018 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001436875837 910497995 /nfs/dbraw/zinc/49/79/95/910497995.db2.gz BXRUCPKRPVEOJS-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001436895366 910506479 /nfs/dbraw/zinc/50/64/79/910506479.db2.gz ROIKXCXXXQNSQQ-XGFWRYKXSA-N 2 1 299.415 -0.429 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001436924536 910509936 /nfs/dbraw/zinc/50/99/36/910509936.db2.gz ILAMFZNYICBFSH-AVGNSLFASA-N 2 1 296.415 -0.156 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001436977418 910520535 /nfs/dbraw/zinc/52/05/35/910520535.db2.gz JWKNVBVJLZHRGK-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001437043778 910531764 /nfs/dbraw/zinc/53/17/64/910531764.db2.gz ZHPFVKAJJYKAPE-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001437043778 910531785 /nfs/dbraw/zinc/53/17/85/910531785.db2.gz ZHPFVKAJJYKAPE-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)C1 ZINC001437043778 910531800 /nfs/dbraw/zinc/53/18/00/910531800.db2.gz ZHPFVKAJJYKAPE-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)C1 ZINC001437043778 910531818 /nfs/dbraw/zinc/53/18/18/910531818.db2.gz ZHPFVKAJJYKAPE-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001437236716 910596826 /nfs/dbraw/zinc/59/68/26/910596826.db2.gz MKXKUFSRNXSREH-CHWSQXEVSA-N 2 1 294.403 -0.286 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCN1CCNC1=O ZINC001437263128 910601043 /nfs/dbraw/zinc/60/10/43/910601043.db2.gz RKGSDQJHJMPDLB-NEPJUHHUSA-N 2 1 297.403 -0.942 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001437260140 910601634 /nfs/dbraw/zinc/60/16/34/910601634.db2.gz KZACXTCWOHYQJT-VHSXEESVSA-N 2 1 281.360 -0.580 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001437263174 910603245 /nfs/dbraw/zinc/60/32/45/910603245.db2.gz ROMIWKQXJWBJAW-MNOVXSKESA-N 2 1 270.377 -0.879 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccnn1C ZINC001437258414 910603642 /nfs/dbraw/zinc/60/36/42/910603642.db2.gz HHGCCHIVJQWGHF-VXGBXAGGSA-N 2 1 279.388 -0.034 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001437421442 910630612 /nfs/dbraw/zinc/63/06/12/910630612.db2.gz IWQJHUWVQGEHRU-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@@H](C[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1)OC ZINC001437447959 910645331 /nfs/dbraw/zinc/64/53/31/910645331.db2.gz IEJRROJEDURRIJ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[C@@H](C[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1)OC ZINC001437447959 910645337 /nfs/dbraw/zinc/64/53/37/910645337.db2.gz IEJRROJEDURRIJ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[C@@H](C[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1)OC ZINC001437447959 910645343 /nfs/dbraw/zinc/64/53/43/910645343.db2.gz IEJRROJEDURRIJ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[C@@H](C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1)OC ZINC001437447959 910645346 /nfs/dbraw/zinc/64/53/46/910645346.db2.gz IEJRROJEDURRIJ-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@@H](C)C(=O)NC)CC[N@@H+]1C ZINC001437462676 910650849 /nfs/dbraw/zinc/65/08/49/910650849.db2.gz JSDVRUAPGDKPTL-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@@H](C)C(=O)NC)CC[N@H+]1C ZINC001437462676 910650859 /nfs/dbraw/zinc/65/08/59/910650859.db2.gz JSDVRUAPGDKPTL-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC)CC[NH+]1C ZINC001437462676 910650868 /nfs/dbraw/zinc/65/08/68/910650868.db2.gz JSDVRUAPGDKPTL-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC)CC[NH+]1C ZINC001437462676 910650881 /nfs/dbraw/zinc/65/08/81/910650881.db2.gz JSDVRUAPGDKPTL-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+](CCO)C1 ZINC001506628102 921596915 /nfs/dbraw/zinc/59/69/15/921596915.db2.gz UDYCJBZUNXBOBK-NSHDSACASA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](CC)[C@@H]1CCN(C)C1=O ZINC001437640729 910707558 /nfs/dbraw/zinc/70/75/58/910707558.db2.gz SYCSRLYNNZKMTM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@H+](CC)[C@@H]1CCN(C)C1=O ZINC001437640729 910707567 /nfs/dbraw/zinc/70/75/67/910707567.db2.gz SYCSRLYNNZKMTM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](CC)[C@@H]1CCN(C)C1=O ZINC001437640729 910707575 /nfs/dbraw/zinc/70/75/75/910707575.db2.gz SYCSRLYNNZKMTM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NC ZINC001437648650 910709447 /nfs/dbraw/zinc/70/94/47/910709447.db2.gz TUJFGGARJVKHST-UHFFFAOYSA-N 2 1 270.377 -0.734 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NC ZINC001437648650 910709458 /nfs/dbraw/zinc/70/94/58/910709458.db2.gz TUJFGGARJVKHST-UHFFFAOYSA-N 2 1 270.377 -0.734 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001437660068 910715166 /nfs/dbraw/zinc/71/51/66/910715166.db2.gz NLVQRWJXNAJVLU-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001437660068 910715172 /nfs/dbraw/zinc/71/51/72/910715172.db2.gz NLVQRWJXNAJVLU-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001506675363 921600682 /nfs/dbraw/zinc/60/06/82/921600682.db2.gz KQMBKWZQLCEJGW-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+](CCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001437746596 910734584 /nfs/dbraw/zinc/73/45/84/910734584.db2.gz UUQSRUJMMSDUQL-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CCC[N@@H+](CCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001437746596 910734592 /nfs/dbraw/zinc/73/45/92/910734592.db2.gz UUQSRUJMMSDUQL-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CCC[NH+](CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001437746596 910734601 /nfs/dbraw/zinc/73/46/01/910734601.db2.gz UUQSRUJMMSDUQL-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CCC[NH+](CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001437746596 910734613 /nfs/dbraw/zinc/73/46/13/910734613.db2.gz UUQSRUJMMSDUQL-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437719903 910736568 /nfs/dbraw/zinc/73/65/68/910736568.db2.gz IJQJEBUQHWWNKE-GFCCVEGCSA-N 2 1 296.415 -0.488 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001437720693 910737891 /nfs/dbraw/zinc/73/78/91/910737891.db2.gz GIMJKNJCHJOUPO-AWEZNQCLSA-N 2 1 299.415 -0.471 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+](CCCO)C1 ZINC001437720693 910737897 /nfs/dbraw/zinc/73/78/97/910737897.db2.gz GIMJKNJCHJOUPO-AWEZNQCLSA-N 2 1 299.415 -0.471 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC ZINC001437768056 910743483 /nfs/dbraw/zinc/74/34/83/910743483.db2.gz MWVPGXHEGIBGAP-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)NC ZINC001437768056 910743502 /nfs/dbraw/zinc/74/35/02/910743502.db2.gz MWVPGXHEGIBGAP-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC ZINC001437768056 910743520 /nfs/dbraw/zinc/74/35/20/910743520.db2.gz MWVPGXHEGIBGAP-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001437820069 910758076 /nfs/dbraw/zinc/75/80/76/910758076.db2.gz OIDGCJMKUXFWIY-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001437820069 910758089 /nfs/dbraw/zinc/75/80/89/910758089.db2.gz OIDGCJMKUXFWIY-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001437842043 910768164 /nfs/dbraw/zinc/76/81/64/910768164.db2.gz IGEUBTUCQKDGHI-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](C(=O)NCC1C[NH+]([C@@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001438156799 910833453 /nfs/dbraw/zinc/83/34/53/910833453.db2.gz GGFGMWIJQMVNFT-WCQYABFASA-N 2 1 298.431 -0.149 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001438267340 910859083 /nfs/dbraw/zinc/85/90/83/910859083.db2.gz OJKUCTGMJKPFNP-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001438267340 910859094 /nfs/dbraw/zinc/85/90/94/910859094.db2.gz OJKUCTGMJKPFNP-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(C(=O)CC[NH+]1CCOCC1)[C@H]1CC[N@H+](CCO)C1 ZINC001438263026 910859594 /nfs/dbraw/zinc/85/95/94/910859594.db2.gz ASXOMLXMZCXJAT-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP CCN(C(=O)CC[NH+]1CCOCC1)[C@H]1CC[N@@H+](CCO)C1 ZINC001438263026 910859611 /nfs/dbraw/zinc/85/96/11/910859611.db2.gz ASXOMLXMZCXJAT-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001438543231 910916120 /nfs/dbraw/zinc/91/61/20/910916120.db2.gz ZRXQNQILZOXRTF-QWHCGFSZSA-N 2 1 287.404 -0.569 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001438553749 910916273 /nfs/dbraw/zinc/91/62/73/910916273.db2.gz QNEFYCUPKPGIIW-GFCCVEGCSA-N 2 1 286.420 -0.243 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001438637599 910939295 /nfs/dbraw/zinc/93/92/95/910939295.db2.gz OZIYIXPGCSIZEV-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nncs2)C1 ZINC001439048035 911075809 /nfs/dbraw/zinc/07/58/09/911075809.db2.gz TWEMELHJNUZBMF-ZJUUUORDSA-N 2 1 299.400 -0.944 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nncs2)C1 ZINC001439048035 911075834 /nfs/dbraw/zinc/07/58/34/911075834.db2.gz TWEMELHJNUZBMF-ZJUUUORDSA-N 2 1 299.400 -0.944 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001439076292 911088516 /nfs/dbraw/zinc/08/85/16/911088516.db2.gz XNRXQFKSQGVMLK-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001507567295 921866328 /nfs/dbraw/zinc/86/63/28/921866328.db2.gz MQIRIBFWOQOPFI-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001507567295 921866339 /nfs/dbraw/zinc/86/63/39/921866339.db2.gz MQIRIBFWOQOPFI-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001439102435 911101776 /nfs/dbraw/zinc/10/17/76/911101776.db2.gz LWOPLDRVHWUIAU-DGCLKSJQSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001439125647 911110462 /nfs/dbraw/zinc/11/04/62/911110462.db2.gz DJGOLXREFOAODR-NEPJUHHUSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001439151971 911118997 /nfs/dbraw/zinc/11/89/97/911118997.db2.gz GBTKXUCTUJKFON-NWDGAFQWSA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001439149567 911120693 /nfs/dbraw/zinc/12/06/93/911120693.db2.gz NPQXEPLDZKHUBB-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001439182965 911128294 /nfs/dbraw/zinc/12/82/94/911128294.db2.gz XCQXLYHNLBOLAA-VXGBXAGGSA-N 2 1 284.404 -0.301 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001439235542 911148740 /nfs/dbraw/zinc/14/87/40/911148740.db2.gz OFNWBZAMBSWSIC-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)C1CC[NH+](C)CC1 ZINC001439245803 911153628 /nfs/dbraw/zinc/15/36/28/911153628.db2.gz PLDRYHCJEGUYOA-NSHDSACASA-N 2 1 294.403 -0.249 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001439370293 911195674 /nfs/dbraw/zinc/19/56/74/911195674.db2.gz OJUZZSZHTUUXLY-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001439370293 911195679 /nfs/dbraw/zinc/19/56/79/911195679.db2.gz OJUZZSZHTUUXLY-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC(=O)NC ZINC001439398897 911198910 /nfs/dbraw/zinc/19/89/10/911198910.db2.gz GCXGDELUTKFXIR-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC(=O)NC ZINC001439398897 911198922 /nfs/dbraw/zinc/19/89/22/911198922.db2.gz GCXGDELUTKFXIR-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC ZINC001439398897 911198928 /nfs/dbraw/zinc/19/89/28/911198928.db2.gz GCXGDELUTKFXIR-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC ZINC001439398897 911198934 /nfs/dbraw/zinc/19/89/34/911198934.db2.gz GCXGDELUTKFXIR-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC(C)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001439412853 911202804 /nfs/dbraw/zinc/20/28/04/911202804.db2.gz VQNPYHRZKBHZCK-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001439412853 911202823 /nfs/dbraw/zinc/20/28/23/911202823.db2.gz VQNPYHRZKBHZCK-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439412853 911202843 /nfs/dbraw/zinc/20/28/43/911202843.db2.gz VQNPYHRZKBHZCK-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439412853 911202865 /nfs/dbraw/zinc/20/28/65/911202865.db2.gz VQNPYHRZKBHZCK-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001439412852 911204979 /nfs/dbraw/zinc/20/49/79/911204979.db2.gz VQNPYHRZKBHZCK-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001439412852 911204991 /nfs/dbraw/zinc/20/49/91/911204991.db2.gz VQNPYHRZKBHZCK-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439412852 911205005 /nfs/dbraw/zinc/20/50/05/911205005.db2.gz VQNPYHRZKBHZCK-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439412852 911205017 /nfs/dbraw/zinc/20/50/17/911205017.db2.gz VQNPYHRZKBHZCK-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001439454964 911210952 /nfs/dbraw/zinc/21/09/52/911210952.db2.gz JOLPYSVVBROEIR-CYBMUJFWSA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001439460994 911215909 /nfs/dbraw/zinc/21/59/09/911215909.db2.gz ZBHOYYSNTVANRS-STQMWFEESA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001439607132 911260005 /nfs/dbraw/zinc/26/00/05/911260005.db2.gz LEKRJFRXUSZTDB-QJPTWQEYSA-N 2 1 296.415 -0.301 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](CCCF)C2)C1 ZINC001440023562 911348179 /nfs/dbraw/zinc/34/81/79/911348179.db2.gz NEPXNHAYNAXMCZ-GXTWGEPZSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@H+](CCCF)C2)C1 ZINC001440023562 911348200 /nfs/dbraw/zinc/34/82/00/911348200.db2.gz NEPXNHAYNAXMCZ-GXTWGEPZSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCF)C2)C1 ZINC001440023562 911348225 /nfs/dbraw/zinc/34/82/25/911348225.db2.gz NEPXNHAYNAXMCZ-GXTWGEPZSA-N 2 1 287.379 -0.149 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCCF)C2)C1 ZINC001440023571 911350506 /nfs/dbraw/zinc/35/05/06/911350506.db2.gz NEPXNHAYNAXMCZ-OCCSQVGLSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CCCF)C2)C1 ZINC001440023571 911350528 /nfs/dbraw/zinc/35/05/28/911350528.db2.gz NEPXNHAYNAXMCZ-OCCSQVGLSA-N 2 1 287.379 -0.149 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCF)C2)C1 ZINC001440023571 911350543 /nfs/dbraw/zinc/35/05/43/911350543.db2.gz NEPXNHAYNAXMCZ-OCCSQVGLSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@H](O)CN1CC(O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001440053977 911369117 /nfs/dbraw/zinc/36/91/17/911369117.db2.gz DWGTVSJSRXWOBH-STQMWFEESA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+](C)CCC(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001440368734 911437400 /nfs/dbraw/zinc/43/74/00/911437400.db2.gz DMGREHYVOLSTCK-LBPRGKRZSA-N 2 1 297.359 -0.662 20 0 CBADMP CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001440528547 911466492 /nfs/dbraw/zinc/46/64/92/911466492.db2.gz HZOIKKNQIGPHRF-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001440528547 911466496 /nfs/dbraw/zinc/46/64/96/911466496.db2.gz HZOIKKNQIGPHRF-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001440528547 911466500 /nfs/dbraw/zinc/46/65/00/911466500.db2.gz HZOIKKNQIGPHRF-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001440528547 911466505 /nfs/dbraw/zinc/46/65/05/911466505.db2.gz HZOIKKNQIGPHRF-AWEZNQCLSA-N 2 1 299.415 -0.378 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001440606413 911478885 /nfs/dbraw/zinc/47/88/85/911478885.db2.gz LWSWVUVZTLJACT-JQWIXIFHSA-N 2 1 293.371 -0.626 20 0 CBADMP CNC(=O)C[NH2+]CC1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001440752872 911504607 /nfs/dbraw/zinc/50/46/07/911504607.db2.gz NTHXTCSZHCNQDO-UHFFFAOYSA-N 2 1 293.371 -0.578 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CC(=O)NC)CC[N@@H+]1C ZINC001440926440 911558498 /nfs/dbraw/zinc/55/84/98/911558498.db2.gz RIPYECANGDQRFO-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CC(=O)NC)CC[N@H+]1C ZINC001440926440 911558518 /nfs/dbraw/zinc/55/85/18/911558518.db2.gz RIPYECANGDQRFO-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC)CC[NH+]1C ZINC001440926440 911558530 /nfs/dbraw/zinc/55/85/30/911558530.db2.gz RIPYECANGDQRFO-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC)CC[NH+]1C ZINC001440926440 911558541 /nfs/dbraw/zinc/55/85/41/911558541.db2.gz RIPYECANGDQRFO-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001441005368 911581570 /nfs/dbraw/zinc/58/15/70/911581570.db2.gz AQLDCQFFBIVUHX-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001441005368 911581581 /nfs/dbraw/zinc/58/15/81/911581581.db2.gz AQLDCQFFBIVUHX-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441005368 911581591 /nfs/dbraw/zinc/58/15/91/911581591.db2.gz AQLDCQFFBIVUHX-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441005368 911581604 /nfs/dbraw/zinc/58/16/04/911581604.db2.gz AQLDCQFFBIVUHX-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001441362918 911653525 /nfs/dbraw/zinc/65/35/25/911653525.db2.gz ASAIKMVOWYWEMC-DDHJBXDOSA-N 2 1 282.388 -0.704 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001441383409 911656517 /nfs/dbraw/zinc/65/65/17/911656517.db2.gz ZLNQVVHXYLPRFJ-JHJVBQTASA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001441390493 911659930 /nfs/dbraw/zinc/65/99/30/911659930.db2.gz WNQKFKDHZNBKGD-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001441390493 911659940 /nfs/dbraw/zinc/65/99/40/911659940.db2.gz WNQKFKDHZNBKGD-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001441390493 911659954 /nfs/dbraw/zinc/65/99/54/911659954.db2.gz WNQKFKDHZNBKGD-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507126870 921684373 /nfs/dbraw/zinc/68/43/73/921684373.db2.gz OKKYEUATCINMCM-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1nnnn1C ZINC001441583986 911711866 /nfs/dbraw/zinc/71/18/66/911711866.db2.gz CLVKDUUMEKVFPW-MNOVXSKESA-N 2 1 297.407 -0.341 20 0 CBADMP Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001441678305 911741762 /nfs/dbraw/zinc/74/17/62/911741762.db2.gz HNAAKUNRXVBTKS-RYUDHWBXSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001441678305 911741777 /nfs/dbraw/zinc/74/17/77/911741777.db2.gz HNAAKUNRXVBTKS-RYUDHWBXSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1ncc(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)o1 ZINC001441740262 911774260 /nfs/dbraw/zinc/77/42/60/911774260.db2.gz AOMKCMSMWWDHSM-NSHDSACASA-N 2 1 284.360 -0.499 20 0 CBADMP CC[NH2+][C@@H](CO)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001441762165 911787204 /nfs/dbraw/zinc/78/72/04/911787204.db2.gz YGKVZZLSRKNBMX-LLVKDONJSA-N 2 1 296.371 -0.029 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCCO)C1 ZINC001507158394 921692333 /nfs/dbraw/zinc/69/23/33/921692333.db2.gz ANFODUGBBNORHU-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCCO)C1 ZINC001507158394 921692341 /nfs/dbraw/zinc/69/23/41/921692341.db2.gz ANFODUGBBNORHU-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001441826706 911825275 /nfs/dbraw/zinc/82/52/75/911825275.db2.gz NEZQGUXLRQTRRP-QWHCGFSZSA-N 2 1 287.404 -0.570 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001441936974 911859932 /nfs/dbraw/zinc/85/99/32/911859932.db2.gz QLNLDLHSQIYBCY-VXGBXAGGSA-N 2 1 296.415 -0.489 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001441943618 911862442 /nfs/dbraw/zinc/86/24/42/911862442.db2.gz WWGVFJGDHMYMJL-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP CC(C)N(CC[N@H+](C)[C@@H](C)C(N)=O)C(=O)CC[NH+](C)C ZINC001442117827 911931959 /nfs/dbraw/zinc/93/19/59/911931959.db2.gz PJKLYNOUMHSAIX-LBPRGKRZSA-N 2 1 286.420 -0.019 20 0 CBADMP CC(C)N(CC[N@@H+](C)[C@@H](C)C(N)=O)C(=O)CC[NH+](C)C ZINC001442117827 911931966 /nfs/dbraw/zinc/93/19/66/911931966.db2.gz PJKLYNOUMHSAIX-LBPRGKRZSA-N 2 1 286.420 -0.019 20 0 CBADMP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001442139453 911937136 /nfs/dbraw/zinc/93/71/36/911937136.db2.gz OZTMCROGYDJKBH-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001442245480 911954756 /nfs/dbraw/zinc/95/47/56/911954756.db2.gz XKVKFRSERIUMGJ-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001442245482 911955995 /nfs/dbraw/zinc/95/59/95/911955995.db2.gz XKVKFRSERIUMGJ-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001442317574 911968168 /nfs/dbraw/zinc/96/81/68/911968168.db2.gz HDTHTJLWARXTKV-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001442416629 912009957 /nfs/dbraw/zinc/00/99/57/912009957.db2.gz TVPXMPPORUCNKF-GFCCVEGCSA-N 2 1 297.403 -0.513 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)[C@H](C)C(N)=O ZINC001442675813 912082046 /nfs/dbraw/zinc/08/20/46/912082046.db2.gz OVMLLSDUVLLYGZ-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)[C@H](C)C(N)=O ZINC001442675813 912082064 /nfs/dbraw/zinc/08/20/64/912082064.db2.gz OVMLLSDUVLLYGZ-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+](C)C1CCC1)[C@H](C)C(N)=O ZINC001442675813 912082083 /nfs/dbraw/zinc/08/20/83/912082083.db2.gz OVMLLSDUVLLYGZ-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)[C@H](C)C(N)=O ZINC001442675813 912082101 /nfs/dbraw/zinc/08/21/01/912082101.db2.gz OVMLLSDUVLLYGZ-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)N(C)C ZINC001442742366 912094218 /nfs/dbraw/zinc/09/42/18/912094218.db2.gz AUYPGDPQYBICPI-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)N(C)C ZINC001442742366 912094232 /nfs/dbraw/zinc/09/42/32/912094232.db2.gz AUYPGDPQYBICPI-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001442805768 912109284 /nfs/dbraw/zinc/10/92/84/912109284.db2.gz RKZVZHFZXMPUJL-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001442805768 912109291 /nfs/dbraw/zinc/10/92/91/912109291.db2.gz RKZVZHFZXMPUJL-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP NC(=O)C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001442993415 912136394 /nfs/dbraw/zinc/13/63/94/912136394.db2.gz HSGHSMSXANVPKG-ZDUSSCGKSA-N 2 1 294.399 -0.606 20 0 CBADMP NC(=O)C[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001442993415 912136410 /nfs/dbraw/zinc/13/64/10/912136410.db2.gz HSGHSMSXANVPKG-ZDUSSCGKSA-N 2 1 294.399 -0.606 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001443077928 912146983 /nfs/dbraw/zinc/14/69/83/912146983.db2.gz JDXDIGOVKFOJTA-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)c1nnnn1C ZINC001443073911 912148401 /nfs/dbraw/zinc/14/84/01/912148401.db2.gz BDRCDZHLTRTLFS-GHMZBOCLSA-N 2 1 295.391 -0.587 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)c1nnnn1C ZINC001443073911 912148409 /nfs/dbraw/zinc/14/84/09/912148409.db2.gz BDRCDZHLTRTLFS-GHMZBOCLSA-N 2 1 295.391 -0.587 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+][C@H](C)C(=O)N(C)C ZINC001443086372 912151043 /nfs/dbraw/zinc/15/10/43/912151043.db2.gz BTCIKNUHSCRXFZ-LLVKDONJSA-N 2 1 295.387 -0.284 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001443314986 912185544 /nfs/dbraw/zinc/18/55/44/912185544.db2.gz AUNFPVBRXNXVTE-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001507221192 921752376 /nfs/dbraw/zinc/75/23/76/921752376.db2.gz FILSMGWCNKSCOZ-VXGBXAGGSA-N 2 1 257.378 -0.053 20 0 CBADMP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)on1 ZINC001507230418 921762738 /nfs/dbraw/zinc/76/27/38/921762738.db2.gz BRYDPCLKCQKUKT-LLVKDONJSA-N 2 1 284.360 -0.499 20 0 CBADMP O=C(N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)C12CC[NH+](CC1)C2 ZINC001471641322 915610023 /nfs/dbraw/zinc/61/00/23/915610023.db2.gz XPTNNLMFRWPAMW-QWHCGFSZSA-N 2 1 279.384 -0.250 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001507264685 921789877 /nfs/dbraw/zinc/78/98/77/921789877.db2.gz KXCFRPGTRFSIJN-RYUDHWBXSA-N 2 1 275.368 -0.103 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC=C(C)C)C1 ZINC001507266012 921796780 /nfs/dbraw/zinc/79/67/80/921796780.db2.gz WDEXZRVUFOOPFO-ZIAGYGMSSA-N 2 1 299.415 -0.260 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC=C(C)C)C1 ZINC001507266012 921796797 /nfs/dbraw/zinc/79/67/97/921796797.db2.gz WDEXZRVUFOOPFO-ZIAGYGMSSA-N 2 1 299.415 -0.260 20 0 CBADMP C[C@@H](O)[C@H](C)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001473149868 915800192 /nfs/dbraw/zinc/80/01/92/915800192.db2.gz VNQFCWBJDNWLQI-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001473547326 915830811 /nfs/dbraw/zinc/83/08/11/915830811.db2.gz SDSSUUKMYAOOMW-KFWWJZLASA-N 2 1 283.416 -0.152 20 0 CBADMP CNC(=O)C[N@@H+]1CCCN(C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC001473812330 915864094 /nfs/dbraw/zinc/86/40/94/915864094.db2.gz QUOZDDKNPAXFRB-AWEZNQCLSA-N 2 1 298.431 -0.805 20 0 CBADMP CNC(=O)C[N@H+]1CCCN(C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC001473812330 915864112 /nfs/dbraw/zinc/86/41/12/915864112.db2.gz QUOZDDKNPAXFRB-AWEZNQCLSA-N 2 1 298.431 -0.805 20 0 CBADMP CNC(=O)C[NH+]1CCCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC001473812330 915864131 /nfs/dbraw/zinc/86/41/31/915864131.db2.gz QUOZDDKNPAXFRB-AWEZNQCLSA-N 2 1 298.431 -0.805 20 0 CBADMP CNC(=O)C[NH+]1CCCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001473812330 915864152 /nfs/dbraw/zinc/86/41/52/915864152.db2.gz QUOZDDKNPAXFRB-AWEZNQCLSA-N 2 1 298.431 -0.805 20 0 CBADMP CC[N@@H+](C)[C@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC001477868206 916019508 /nfs/dbraw/zinc/01/95/08/916019508.db2.gz HAVBGRCJYHQUOY-KBPBESRZSA-N 2 1 297.447 -0.032 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001479295590 916114947 /nfs/dbraw/zinc/11/49/47/916114947.db2.gz PUCQYVGDAPDPNO-FVCCEPFGSA-N 2 1 296.415 -0.443 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001479320730 916120230 /nfs/dbraw/zinc/12/02/30/916120230.db2.gz HANGFAYCPQPMPQ-TXEJJXNPSA-N 2 1 298.431 -0.066 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001479358003 916121841 /nfs/dbraw/zinc/12/18/41/916121841.db2.gz SFBIFYOTBUJSOE-CYDGBPFRSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001479670566 916154369 /nfs/dbraw/zinc/15/43/69/916154369.db2.gz YBVSYMBSCUJRSH-XQQFMLRXSA-N 2 1 296.415 -0.408 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CCn1cncn1 ZINC001479762358 916165014 /nfs/dbraw/zinc/16/50/14/916165014.db2.gz NTTFLNDFGPHNTM-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)CCn1cncn1 ZINC001479762358 916165021 /nfs/dbraw/zinc/16/50/21/916165021.db2.gz NTTFLNDFGPHNTM-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)CCn1cncn1 ZINC001479762358 916165028 /nfs/dbraw/zinc/16/50/28/916165028.db2.gz NTTFLNDFGPHNTM-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001480038089 916269491 /nfs/dbraw/zinc/26/94/91/916269491.db2.gz AVGKOIZQFXHQIX-WDEREUQCSA-N 2 1 268.361 -0.950 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]([NH2+]CC(=O)N(C)C)C1CC1 ZINC001480065949 916276028 /nfs/dbraw/zinc/27/60/28/916276028.db2.gz LKRYLPMSKBHSTM-CYBMUJFWSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480061294 916276241 /nfs/dbraw/zinc/27/62/41/916276241.db2.gz HDGNYMBNSXRBRM-NEPJUHHUSA-N 2 1 282.388 -0.832 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480061297 916279107 /nfs/dbraw/zinc/27/91/07/916279107.db2.gz HDGNYMBNSXRBRM-VXGBXAGGSA-N 2 1 282.388 -0.832 20 0 CBADMP COCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001480107512 916286060 /nfs/dbraw/zinc/28/60/60/916286060.db2.gz CBMBVYOIFGOHEL-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001480107512 916286074 /nfs/dbraw/zinc/28/60/74/916286074.db2.gz CBMBVYOIFGOHEL-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001480221484 916333605 /nfs/dbraw/zinc/33/36/05/916333605.db2.gz XIYKCHUIODQJGB-PHIMTYICSA-N 2 1 295.391 -0.711 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001480351007 916363777 /nfs/dbraw/zinc/36/37/77/916363777.db2.gz FPVZAGXLHIDBMP-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001480460868 916421341 /nfs/dbraw/zinc/42/13/41/916421341.db2.gz XZMPSCDYSZHWGN-GHMZBOCLSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001480478479 916429958 /nfs/dbraw/zinc/42/99/58/916429958.db2.gz ZFMBAHVHFIQFPU-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1nncn1C ZINC001480536952 916458664 /nfs/dbraw/zinc/45/86/64/916458664.db2.gz KUORDRZOAQELCH-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1nncn1C ZINC001480536952 916458675 /nfs/dbraw/zinc/45/86/75/916458675.db2.gz KUORDRZOAQELCH-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001480622160 916500723 /nfs/dbraw/zinc/50/07/23/916500723.db2.gz XGBBXHBTIBFWKK-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001480653807 916511332 /nfs/dbraw/zinc/51/13/32/916511332.db2.gz OHVPKBYZYYWXFO-GFCCVEGCSA-N 2 1 293.371 -0.624 20 0 CBADMP O=C(N1CC[C@H](C[NH2+]CCO)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001480676027 916515935 /nfs/dbraw/zinc/51/59/35/916515935.db2.gz LTPDSBSTFXJWAU-HIFRSBDPSA-N 2 1 281.400 -0.097 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC(=O)NC)C1 ZINC001480739616 916525791 /nfs/dbraw/zinc/52/57/91/916525791.db2.gz RPWZCERIQHNNJN-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC(=O)NC)C1 ZINC001480739616 916525803 /nfs/dbraw/zinc/52/58/03/916525803.db2.gz RPWZCERIQHNNJN-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NC)C1 ZINC001480739616 916525815 /nfs/dbraw/zinc/52/58/15/916525815.db2.gz RPWZCERIQHNNJN-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NC)C1 ZINC001480739616 916525823 /nfs/dbraw/zinc/52/58/23/916525823.db2.gz RPWZCERIQHNNJN-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480754191 916529295 /nfs/dbraw/zinc/52/92/95/916529295.db2.gz QZBLUHHRZZOQNN-MNOVXSKESA-N 2 1 270.377 -0.689 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480754192 916531381 /nfs/dbraw/zinc/53/13/81/916531381.db2.gz QZBLUHHRZZOQNN-QWRGUYRKSA-N 2 1 270.377 -0.689 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@H]1CCCCO1 ZINC001480851947 916574225 /nfs/dbraw/zinc/57/42/25/916574225.db2.gz MUMDEZGSJKPMIR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@H]1CCCCO1 ZINC001480851947 916574241 /nfs/dbraw/zinc/57/42/41/916574241.db2.gz MUMDEZGSJKPMIR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C[C@H]1CCCCO1 ZINC001480851947 916574260 /nfs/dbraw/zinc/57/42/60/916574260.db2.gz MUMDEZGSJKPMIR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@H]1CCCCO1 ZINC001480851947 916574273 /nfs/dbraw/zinc/57/42/73/916574273.db2.gz MUMDEZGSJKPMIR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CCCNC1=O ZINC001480935756 916643904 /nfs/dbraw/zinc/64/39/04/916643904.db2.gz RFLKVFJGSJCDET-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CCCNC1=O ZINC001480935756 916643912 /nfs/dbraw/zinc/64/39/12/916643912.db2.gz RFLKVFJGSJCDET-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCCNC1=O ZINC001480935756 916643918 /nfs/dbraw/zinc/64/39/18/916643918.db2.gz RFLKVFJGSJCDET-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCCNC1=O ZINC001480935756 916643925 /nfs/dbraw/zinc/64/39/25/916643925.db2.gz RFLKVFJGSJCDET-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CCCNC1=O ZINC001480935758 916645574 /nfs/dbraw/zinc/64/55/74/916645574.db2.gz RFLKVFJGSJCDET-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CCCNC1=O ZINC001480935758 916645585 /nfs/dbraw/zinc/64/55/85/916645585.db2.gz RFLKVFJGSJCDET-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCCNC1=O ZINC001480935758 916645598 /nfs/dbraw/zinc/64/55/98/916645598.db2.gz RFLKVFJGSJCDET-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCNC1=O ZINC001480935758 916645601 /nfs/dbraw/zinc/64/56/01/916645601.db2.gz RFLKVFJGSJCDET-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCOCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001480948850 916648342 /nfs/dbraw/zinc/64/83/42/916648342.db2.gz DTMXONRGWCGLQT-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CCOCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001480948850 916648349 /nfs/dbraw/zinc/64/83/49/916648349.db2.gz DTMXONRGWCGLQT-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CCOCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001480948850 916648356 /nfs/dbraw/zinc/64/83/56/916648356.db2.gz DTMXONRGWCGLQT-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CCOCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001480948850 916648363 /nfs/dbraw/zinc/64/83/63/916648363.db2.gz DTMXONRGWCGLQT-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)N1CCC1 ZINC001480964947 916665145 /nfs/dbraw/zinc/66/51/45/916665145.db2.gz HKOQKKNAICMJNK-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)N1CCC1 ZINC001480964947 916665149 /nfs/dbraw/zinc/66/51/49/916665149.db2.gz HKOQKKNAICMJNK-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)N1CCC1 ZINC001480964947 916665155 /nfs/dbraw/zinc/66/51/55/916665155.db2.gz HKOQKKNAICMJNK-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)N1CCC1 ZINC001480964947 916665163 /nfs/dbraw/zinc/66/51/63/916665163.db2.gz HKOQKKNAICMJNK-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCNC1=O ZINC001480983359 916666873 /nfs/dbraw/zinc/66/68/73/916666873.db2.gz YOJONNXZJVHYCB-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC001480983359 916666879 /nfs/dbraw/zinc/66/68/79/916666879.db2.gz YOJONNXZJVHYCB-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CCNC1=O ZINC001480983359 916666894 /nfs/dbraw/zinc/66/68/94/916666894.db2.gz YOJONNXZJVHYCB-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC001481016108 916687146 /nfs/dbraw/zinc/68/71/46/916687146.db2.gz BBAPCYMISFSQGS-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001481044097 916698903 /nfs/dbraw/zinc/69/89/03/916698903.db2.gz JTLOAUVNLXTNHT-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001481044097 916698914 /nfs/dbraw/zinc/69/89/14/916698914.db2.gz JTLOAUVNLXTNHT-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001481044097 916698927 /nfs/dbraw/zinc/69/89/27/916698927.db2.gz JTLOAUVNLXTNHT-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001481044097 916698939 /nfs/dbraw/zinc/69/89/39/916698939.db2.gz JTLOAUVNLXTNHT-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001481122433 916720258 /nfs/dbraw/zinc/72/02/58/916720258.db2.gz ANZISYKISOLRJC-UONOGXRCSA-N 2 1 299.415 -0.615 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001481120429 916723337 /nfs/dbraw/zinc/72/33/37/916723337.db2.gz DFWFBPUUXOOFBD-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001481120429 916723348 /nfs/dbraw/zinc/72/33/48/916723348.db2.gz DFWFBPUUXOOFBD-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001481120429 916723353 /nfs/dbraw/zinc/72/33/53/916723353.db2.gz DFWFBPUUXOOFBD-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+]CC(=O)NC(C)C ZINC001481257917 916794592 /nfs/dbraw/zinc/79/45/92/916794592.db2.gz WSNBIJDMOLOXKM-UHFFFAOYSA-N 2 1 295.387 -0.236 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001481280856 916805935 /nfs/dbraw/zinc/80/59/35/916805935.db2.gz YXCRVMDYAWYJLR-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CN(CC[NH2+]CCc1cnn(C)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481314970 916813231 /nfs/dbraw/zinc/81/32/31/916813231.db2.gz OSMPWQZVQROWEH-CQSZACIVSA-N 2 1 293.415 -0.038 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001481464143 916838323 /nfs/dbraw/zinc/83/83/23/916838323.db2.gz IEHOCICNZQXVLK-CHWSQXEVSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001481464143 916838329 /nfs/dbraw/zinc/83/83/29/916838329.db2.gz IEHOCICNZQXVLK-CHWSQXEVSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001481464143 916838334 /nfs/dbraw/zinc/83/83/34/916838334.db2.gz IEHOCICNZQXVLK-CHWSQXEVSA-N 2 1 269.389 -0.241 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](C[NH+](C)CC(N)=O)C2)C1 ZINC001481496475 916850840 /nfs/dbraw/zinc/85/08/40/916850840.db2.gz CWYTVZZTNCATJM-QWHCGFSZSA-N 2 1 296.415 -0.406 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC001481496475 916850852 /nfs/dbraw/zinc/85/08/52/916850852.db2.gz CWYTVZZTNCATJM-QWHCGFSZSA-N 2 1 296.415 -0.406 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC001481496475 916850862 /nfs/dbraw/zinc/85/08/62/916850862.db2.gz CWYTVZZTNCATJM-QWHCGFSZSA-N 2 1 296.415 -0.406 20 0 CBADMP COCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001481523998 916856685 /nfs/dbraw/zinc/85/66/85/916856685.db2.gz HOTFDSIGGIEKTF-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001481523998 916856695 /nfs/dbraw/zinc/85/66/95/916856695.db2.gz HOTFDSIGGIEKTF-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001481523998 916856703 /nfs/dbraw/zinc/85/67/03/916856703.db2.gz HOTFDSIGGIEKTF-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001481523998 916856709 /nfs/dbraw/zinc/85/67/09/916856709.db2.gz HOTFDSIGGIEKTF-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@H]2CCNC2=O)C1 ZINC001481539027 916861384 /nfs/dbraw/zinc/86/13/84/916861384.db2.gz QVELECNETHZMPE-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@H]2CCNC2=O)C1 ZINC001481539027 916861393 /nfs/dbraw/zinc/86/13/93/916861393.db2.gz QVELECNETHZMPE-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001481539027 916861405 /nfs/dbraw/zinc/86/14/05/916861405.db2.gz QVELECNETHZMPE-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001481539027 916861414 /nfs/dbraw/zinc/86/14/14/916861414.db2.gz QVELECNETHZMPE-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP Cn1cc(C[NH+]2CC(CNC(=O)CC[NH+](C)C)C2)cn1 ZINC001481642817 916925056 /nfs/dbraw/zinc/92/50/56/916925056.db2.gz OVTAASZJALUZSI-UHFFFAOYSA-N 2 1 279.388 -0.080 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1C[NH+](CCOCCO)C1 ZINC001481658728 916930646 /nfs/dbraw/zinc/93/06/46/916930646.db2.gz QSUNMLMSQWGWOQ-UHFFFAOYSA-N 2 1 296.371 -0.752 20 0 CBADMP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(=O)NC ZINC001481820309 916994513 /nfs/dbraw/zinc/99/45/13/916994513.db2.gz MDDZTSSSHFYIJT-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@@H]1CCNC1=O ZINC001481878000 917011548 /nfs/dbraw/zinc/01/15/48/917011548.db2.gz GIHMVORNOFXTJN-VXGBXAGGSA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@](C[NH2+]CCO)(NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001481945051 917026849 /nfs/dbraw/zinc/02/68/49/917026849.db2.gz SFQMEHHIEMLIOQ-OAHLLOKOSA-N 2 1 299.415 -0.425 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001481949416 917028466 /nfs/dbraw/zinc/02/84/66/917028466.db2.gz ABLDGXYMIUZFAM-CQSZACIVSA-N 2 1 293.371 -0.449 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCO)C1 ZINC001482068513 917035638 /nfs/dbraw/zinc/03/56/38/917035638.db2.gz QESRJOWEKZWHGL-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCO)C1 ZINC001482068513 917035653 /nfs/dbraw/zinc/03/56/53/917035653.db2.gz QESRJOWEKZWHGL-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1nncn1C ZINC001482085322 917044212 /nfs/dbraw/zinc/04/42/12/917044212.db2.gz OITXANRZFMVYFS-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP COCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482087187 917047495 /nfs/dbraw/zinc/04/74/95/917047495.db2.gz IVYIGYILYNTFSL-STQMWFEESA-N 2 1 287.404 -0.305 20 0 CBADMP COCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482087187 917047509 /nfs/dbraw/zinc/04/75/09/917047509.db2.gz IVYIGYILYNTFSL-STQMWFEESA-N 2 1 287.404 -0.305 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001482155161 917068346 /nfs/dbraw/zinc/06/83/46/917068346.db2.gz CSMOBSWJULPFOK-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CO[C@@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482200143 917087545 /nfs/dbraw/zinc/08/75/45/917087545.db2.gz VIBOQCMWZVQZJP-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@@H](C)C[N@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482200143 917087559 /nfs/dbraw/zinc/08/75/59/917087559.db2.gz VIBOQCMWZVQZJP-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001482295687 917117543 /nfs/dbraw/zinc/11/75/43/917117543.db2.gz DTNMQBLJVOVYTE-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001482341925 917129483 /nfs/dbraw/zinc/12/94/83/917129483.db2.gz HNJMZKVDVVZSKX-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482329337 917132774 /nfs/dbraw/zinc/13/27/74/917132774.db2.gz AKHAJUKBKRHXDJ-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482622456 917183766 /nfs/dbraw/zinc/18/37/66/917183766.db2.gz LLKRKVGKRKKTCR-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482622456 917183773 /nfs/dbraw/zinc/18/37/73/917183773.db2.gz LLKRKVGKRKKTCR-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP COCC[NH2+]C[C@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482765686 917261780 /nfs/dbraw/zinc/26/17/80/917261780.db2.gz BBECGSWKGGAVLM-NEPJUHHUSA-N 2 1 273.377 -0.959 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)CC1 ZINC001482765480 917262413 /nfs/dbraw/zinc/26/24/13/917262413.db2.gz JEZWYILBMJZRKT-CYBMUJFWSA-N 2 1 296.371 -0.417 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1cncn1C ZINC001482799606 917290382 /nfs/dbraw/zinc/29/03/82/917290382.db2.gz QXHLYPFMFMANRT-CYBMUJFWSA-N 2 1 297.403 -0.673 20 0 CBADMP Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001482800654 917292444 /nfs/dbraw/zinc/29/24/44/917292444.db2.gz XLGPTCFQRBWARM-NSHDSACASA-N 2 1 299.375 -0.715 20 0 CBADMP Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001482800654 917292456 /nfs/dbraw/zinc/29/24/56/917292456.db2.gz XLGPTCFQRBWARM-NSHDSACASA-N 2 1 299.375 -0.715 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCCO ZINC001482800645 917292657 /nfs/dbraw/zinc/29/26/57/917292657.db2.gz XDGWXTOLPICOBQ-QWHCGFSZSA-N 2 1 287.404 -0.690 20 0 CBADMP C[C@H](CC[NH2+]CCCO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001482816681 917300581 /nfs/dbraw/zinc/30/05/81/917300581.db2.gz IRMORNQKXCLDFN-VXGBXAGGSA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001482840656 917308477 /nfs/dbraw/zinc/30/84/77/917308477.db2.gz YFXWPOQAJOTZKW-WCQYABFASA-N 2 1 296.415 -0.156 20 0 CBADMP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001482860672 917312287 /nfs/dbraw/zinc/31/22/87/917312287.db2.gz KENRTZQXVYTCQW-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482925162 917336320 /nfs/dbraw/zinc/33/63/20/917336320.db2.gz LZLHFQRNLAFDHA-QJPTWQEYSA-N 2 1 284.404 -0.362 20 0 CBADMP CCN(CC[NH2+]C[C@H](O)COC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482966591 917352712 /nfs/dbraw/zinc/35/27/12/917352712.db2.gz CKQPVDHICSBTOS-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP CCN(CC[NH2+]C[C@H](O)COC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482966590 917352748 /nfs/dbraw/zinc/35/27/48/917352748.db2.gz CKQPVDHICSBTOS-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP CCOCC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482993012 917365688 /nfs/dbraw/zinc/36/56/88/917365688.db2.gz NAVIOWGDXGSLTQ-MUBLQREKSA-N 2 1 285.388 -0.385 20 0 CBADMP CCOCC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482993012 917365703 /nfs/dbraw/zinc/36/57/03/917365703.db2.gz NAVIOWGDXGSLTQ-MUBLQREKSA-N 2 1 285.388 -0.385 20 0 CBADMP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001483009127 917372623 /nfs/dbraw/zinc/37/26/23/917372623.db2.gz RGUSMPYCAPEIMX-PWUVMTTMSA-N 2 1 282.388 -0.538 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC/C=C\C[NH2+][C@H](C)C(N)=O ZINC001483093320 917404857 /nfs/dbraw/zinc/40/48/57/917404857.db2.gz PELCPJRXYIYJDE-UMBAGQNISA-N 2 1 279.344 -0.673 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001483150035 917438274 /nfs/dbraw/zinc/43/82/74/917438274.db2.gz MAFFEMFQCCLBIX-ZYHUDNBSSA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483161272 917444797 /nfs/dbraw/zinc/44/47/97/917444797.db2.gz BAYNSKHFYFBXRT-LLVKDONJSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)CC[NH+]1CCOCC1 ZINC001483176588 917451868 /nfs/dbraw/zinc/45/18/68/917451868.db2.gz PTOHLKYPHBQUQM-KGLIPLIRSA-N 2 1 299.415 -0.161 20 0 CBADMP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483185003 917458678 /nfs/dbraw/zinc/45/86/78/917458678.db2.gz ZZYBDNNGFBNFHK-VXGBXAGGSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483260433 917499818 /nfs/dbraw/zinc/49/98/18/917499818.db2.gz IJXUOEAFPSSLBN-JTQLQIEISA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483282997 917503400 /nfs/dbraw/zinc/50/34/00/917503400.db2.gz GCFREBSDZQGEID-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001483286205 917503748 /nfs/dbraw/zinc/50/37/48/917503748.db2.gz UHMBPUIPAINKPF-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001483286205 917503761 /nfs/dbraw/zinc/50/37/61/917503761.db2.gz UHMBPUIPAINKPF-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@H](O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001483484172 917576895 /nfs/dbraw/zinc/57/68/95/917576895.db2.gz KJAXTKZSUGDTGJ-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001483726000 917661338 /nfs/dbraw/zinc/66/13/38/917661338.db2.gz YDYUQTBYGNAUBA-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001483726000 917661345 /nfs/dbraw/zinc/66/13/45/917661345.db2.gz YDYUQTBYGNAUBA-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001483759954 917671534 /nfs/dbraw/zinc/67/15/34/917671534.db2.gz RTRGMKVFQRIFTA-NEPJUHHUSA-N 2 1 296.415 -0.156 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCOCCO)CC2)C1 ZINC001483790992 917681326 /nfs/dbraw/zinc/68/13/26/917681326.db2.gz OJBHEIUHDSHWIZ-GFCCVEGCSA-N 2 1 285.388 -0.815 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001483951866 917710988 /nfs/dbraw/zinc/71/09/88/917710988.db2.gz MNZFEJQVSFNLTF-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CCO ZINC001483958143 917717767 /nfs/dbraw/zinc/71/77/67/917717767.db2.gz GFJLTMJLJGHBMR-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001484049083 917725501 /nfs/dbraw/zinc/72/55/01/917725501.db2.gz ZAGJWGHCJSHBMO-DOMZBBRYSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001484049083 917725512 /nfs/dbraw/zinc/72/55/12/917725512.db2.gz ZAGJWGHCJSHBMO-DOMZBBRYSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001484049083 917725519 /nfs/dbraw/zinc/72/55/19/917725519.db2.gz ZAGJWGHCJSHBMO-DOMZBBRYSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001484049083 917725526 /nfs/dbraw/zinc/72/55/26/917725526.db2.gz ZAGJWGHCJSHBMO-DOMZBBRYSA-N 2 1 296.415 -0.073 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484057124 917730500 /nfs/dbraw/zinc/73/05/00/917730500.db2.gz DXQJCDWHXZAODI-CQSZACIVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484057124 917730507 /nfs/dbraw/zinc/73/05/07/917730507.db2.gz DXQJCDWHXZAODI-CQSZACIVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CCC(CC(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)CC1 ZINC001484060687 917731183 /nfs/dbraw/zinc/73/11/83/917731183.db2.gz LBDRILBSSBBCFA-HNNXBMFYSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC(CC(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)CC1 ZINC001484060687 917731191 /nfs/dbraw/zinc/73/11/91/917731191.db2.gz LBDRILBSSBBCFA-HNNXBMFYSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001484059452 917731453 /nfs/dbraw/zinc/73/14/53/917731453.db2.gz RVKVGBSERURHKN-OAHLLOKOSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001484059452 917731466 /nfs/dbraw/zinc/73/14/66/917731466.db2.gz RVKVGBSERURHKN-OAHLLOKOSA-N 2 1 296.415 -0.249 20 0 CBADMP CCC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484239282 917784472 /nfs/dbraw/zinc/78/44/72/917784472.db2.gz VUEGDEDELXQTIS-ZDUSSCGKSA-N 2 1 257.378 -0.099 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484246400 917788623 /nfs/dbraw/zinc/78/86/23/917788623.db2.gz JVEWMNVUCRFVCE-OAHLLOKOSA-N 2 1 297.399 -0.718 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H](CC[NH2+]CCO)C2)C1 ZINC001484549495 917887682 /nfs/dbraw/zinc/88/76/82/917887682.db2.gz JDEOTEMDWJWHRB-STQMWFEESA-N 2 1 269.389 -0.241 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(N)=O ZINC001485229848 918033282 /nfs/dbraw/zinc/03/32/82/918033282.db2.gz MWKGJBRIZZLVLC-VHSXEESVSA-N 2 1 258.366 -0.705 20 0 CBADMP CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485265406 918037667 /nfs/dbraw/zinc/03/76/67/918037667.db2.gz YTMFZAXREWDZMI-GFCCVEGCSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)CCO ZINC001485312086 918071964 /nfs/dbraw/zinc/07/19/64/918071964.db2.gz GUYDRXAEUOILEE-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)[NH+](C)C ZINC001485375934 918096910 /nfs/dbraw/zinc/09/69/10/918096910.db2.gz CQPBNGXQHOIECY-ZJUUUORDSA-N 2 1 258.366 -0.752 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001485375934 918096924 /nfs/dbraw/zinc/09/69/24/918096924.db2.gz CQPBNGXQHOIECY-ZJUUUORDSA-N 2 1 258.366 -0.752 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@@H](C)C(N)=O ZINC001485368037 918099333 /nfs/dbraw/zinc/09/93/33/918099333.db2.gz AGZKCSKKWPZJLR-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@@H](C)C(N)=O ZINC001485368037 918099342 /nfs/dbraw/zinc/09/93/42/918099342.db2.gz AGZKCSKKWPZJLR-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001485368037 918099352 /nfs/dbraw/zinc/09/93/52/918099352.db2.gz AGZKCSKKWPZJLR-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001485368037 918099365 /nfs/dbraw/zinc/09/93/65/918099365.db2.gz AGZKCSKKWPZJLR-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)[NH+](C)C ZINC001485375931 918099476 /nfs/dbraw/zinc/09/94/76/918099476.db2.gz CQPBNGXQHOIECY-UWVGGRQHSA-N 2 1 258.366 -0.752 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001485375931 918099490 /nfs/dbraw/zinc/09/94/90/918099490.db2.gz CQPBNGXQHOIECY-UWVGGRQHSA-N 2 1 258.366 -0.752 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001485703178 918170080 /nfs/dbraw/zinc/17/00/80/918170080.db2.gz RTTCFCCQSMSESF-IJLUTSLNSA-N 2 1 284.404 -0.314 20 0 CBADMP COCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485715519 918175182 /nfs/dbraw/zinc/17/51/82/918175182.db2.gz AQLWMNSVTXEQPF-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP COCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485715519 918175189 /nfs/dbraw/zinc/17/51/89/918175189.db2.gz AQLWMNSVTXEQPF-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CCC[N@H+](C)CCOCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001485769859 918181265 /nfs/dbraw/zinc/18/12/65/918181265.db2.gz JSHZNAKALHMSIG-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CCC[N@@H+](C)CCOCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001485769859 918181276 /nfs/dbraw/zinc/18/12/76/918181276.db2.gz JSHZNAKALHMSIG-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CCC[NH+](C)CCOCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485769859 918181285 /nfs/dbraw/zinc/18/12/85/918181285.db2.gz JSHZNAKALHMSIG-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CCC[NH+](C)CCOCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485769859 918181293 /nfs/dbraw/zinc/18/12/93/918181293.db2.gz JSHZNAKALHMSIG-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485748947 918183514 /nfs/dbraw/zinc/18/35/14/918183514.db2.gz QEVOSOPFTZTPCQ-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP C[N@@H+](CCO)CCOCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485773926 918187286 /nfs/dbraw/zinc/18/72/86/918187286.db2.gz WVLDITYXNUMKEH-AWEZNQCLSA-N 2 1 299.415 -0.615 20 0 CBADMP CC[NH2+]CCCOCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485793516 918190062 /nfs/dbraw/zinc/19/00/62/918190062.db2.gz VOLZFKCNZFLHOT-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP CC[NH2+]CCCOCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485793516 918190069 /nfs/dbraw/zinc/19/00/69/918190069.db2.gz VOLZFKCNZFLHOT-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001485854816 918207387 /nfs/dbraw/zinc/20/73/87/918207387.db2.gz HKTFSHUEFPNVIS-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001485855550 918210494 /nfs/dbraw/zinc/21/04/94/918210494.db2.gz LVOBEORUKSHDPZ-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001485954937 918239480 /nfs/dbraw/zinc/23/94/80/918239480.db2.gz BIHIHTOILRBCPT-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CCOCC1 ZINC001485984149 918275417 /nfs/dbraw/zinc/27/54/17/918275417.db2.gz YZHDSNJAJZPSCQ-KBPBESRZSA-N 2 1 299.415 -0.426 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)[NH2+]CC1CCC1 ZINC001486045344 918337989 /nfs/dbraw/zinc/33/79/89/918337989.db2.gz ULOFBGOHIWRNOO-AWEZNQCLSA-N 2 1 299.415 -0.425 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@H]1C ZINC001486092770 918364239 /nfs/dbraw/zinc/36/42/39/918364239.db2.gz HHWGKLDHFHDIJR-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001486218934 918385540 /nfs/dbraw/zinc/38/55/40/918385540.db2.gz AUJMJDBSXOLSDF-NEPJUHHUSA-N 2 1 293.371 -0.449 20 0 CBADMP COCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001486286384 918411530 /nfs/dbraw/zinc/41/15/30/918411530.db2.gz VBTXHKYBAQREHC-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001486405452 918455344 /nfs/dbraw/zinc/45/53/44/918455344.db2.gz NUHDNNRJCQEOSP-LLVKDONJSA-N 2 1 295.387 -0.203 20 0 CBADMP CC(C)[NH2+]CCOCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001486493396 918470948 /nfs/dbraw/zinc/47/09/48/918470948.db2.gz WUZXTNZQGCSXQL-ZDUSSCGKSA-N 2 1 287.404 -0.210 20 0 CBADMP CC(C)[NH2+]CCOCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001486493396 918470955 /nfs/dbraw/zinc/47/09/55/918470955.db2.gz WUZXTNZQGCSXQL-ZDUSSCGKSA-N 2 1 287.404 -0.210 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC1=CC[N@H+](CCO)CC1 ZINC001486517360 918480205 /nfs/dbraw/zinc/48/02/05/918480205.db2.gz OXACKIHQYZQKIM-UHFFFAOYSA-N 2 1 297.399 -0.551 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC1=CC[N@@H+](CCO)CC1 ZINC001486517360 918480211 /nfs/dbraw/zinc/48/02/11/918480211.db2.gz OXACKIHQYZQKIM-UHFFFAOYSA-N 2 1 297.399 -0.551 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001488772705 918765989 /nfs/dbraw/zinc/76/59/89/918765989.db2.gz MAWPCUJPWCTPFA-RWMBFGLXSA-N 2 1 269.389 -0.195 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001488960297 918780982 /nfs/dbraw/zinc/78/09/82/918780982.db2.gz HNZFNDPEWLYZQA-YNEHKIRRSA-N 2 1 296.415 -0.312 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001488968672 918782016 /nfs/dbraw/zinc/78/20/16/918782016.db2.gz ZKICTDIBFSWZAG-NWDGAFQWSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001490243711 918878020 /nfs/dbraw/zinc/87/80/20/918878020.db2.gz HZEFPHQJLFJNLB-NWDGAFQWSA-N 2 1 286.420 -0.116 20 0 CBADMP CC[N@@H+](CCO)CCCNC(=O)C[NH+]1CCCC1 ZINC001490361366 918899621 /nfs/dbraw/zinc/89/96/21/918899621.db2.gz KYJNFPFYGNYUCJ-UHFFFAOYSA-N 2 1 257.378 -0.097 20 0 CBADMP C[NH+]1CCC(C(=O)NCCC[N@@H+](CC(N)=O)C2CC2)CC1 ZINC001490382595 918902869 /nfs/dbraw/zinc/90/28/69/918902869.db2.gz GFBFGKHCLDYSQW-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH+](CC(N)=O)C2CC2)C1 ZINC001490394489 918905378 /nfs/dbraw/zinc/90/53/78/918905378.db2.gz WNOSJONXADYIOH-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCC[N@H+](CC(N)=O)C2CC2)C1 ZINC001490394489 918905398 /nfs/dbraw/zinc/90/53/98/918905398.db2.gz WNOSJONXADYIOH-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCCC[N@@H+](CC(N)=O)C2CC2)C1 ZINC001490394489 918905412 /nfs/dbraw/zinc/90/54/12/918905412.db2.gz WNOSJONXADYIOH-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001490448043 918908184 /nfs/dbraw/zinc/90/81/84/918908184.db2.gz QDYCCKNUDPXTJT-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001490751586 918966780 /nfs/dbraw/zinc/96/67/80/918966780.db2.gz HDFZEPWFGJHHAR-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001490751586 918966791 /nfs/dbraw/zinc/96/67/91/918966791.db2.gz HDFZEPWFGJHHAR-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001490751586 918966806 /nfs/dbraw/zinc/96/68/06/918966806.db2.gz HDFZEPWFGJHHAR-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001491002283 919005066 /nfs/dbraw/zinc/00/50/66/919005066.db2.gz FFISQKFVUUGFPU-XQQFMLRXSA-N 2 1 285.388 -0.674 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001491025565 919012900 /nfs/dbraw/zinc/01/29/00/919012900.db2.gz AWBFQXGHHOLFDZ-WUHRBBMRSA-N 2 1 296.415 -0.029 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001491078993 919023797 /nfs/dbraw/zinc/02/37/97/919023797.db2.gz CQYAKCVHLHIRPG-WCFLWFBJSA-N 2 1 294.399 -0.547 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001491190255 919073043 /nfs/dbraw/zinc/07/30/43/919073043.db2.gz JNQXRZPIPYUJPC-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001491295590 919108078 /nfs/dbraw/zinc/10/80/78/919108078.db2.gz CMCNUPAMXFOXRN-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001491318651 919111498 /nfs/dbraw/zinc/11/14/98/919111498.db2.gz VHKCZDMSSJFYBV-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001491413607 919144608 /nfs/dbraw/zinc/14/46/08/919144608.db2.gz FLUJXQXSYVMZHL-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CCN1CCNC1=O ZINC001491416131 919150481 /nfs/dbraw/zinc/15/04/81/919150481.db2.gz XJAKUPKUYOSPBB-NEPJUHHUSA-N 2 1 297.403 -0.800 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nnnn1C ZINC001491457932 919169566 /nfs/dbraw/zinc/16/95/66/919169566.db2.gz VVOMNDIYJRKYKW-GMTAPVOTSA-N 2 1 295.391 -0.855 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1nnnn1C ZINC001491457932 919169577 /nfs/dbraw/zinc/16/95/77/919169577.db2.gz VVOMNDIYJRKYKW-GMTAPVOTSA-N 2 1 295.391 -0.855 20 0 CBADMP CN1CCC[C@@H]1C(=O)NCCNC(=O)Cc1c[nH]cn1 ZINC001491502317 919184617 /nfs/dbraw/zinc/18/46/17/919184617.db2.gz QZDFYYCGSQOJES-LLVKDONJSA-N 2 1 279.344 -0.721 20 0 CBADMP COC[C@H](O)C[NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001491528309 919191923 /nfs/dbraw/zinc/19/19/23/919191923.db2.gz LNYIEASZCHQAHZ-ZYHUDNBSSA-N 2 1 284.360 -0.707 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001491530361 919194799 /nfs/dbraw/zinc/19/47/99/919194799.db2.gz VUMJIJCLUGIONV-ZYHUDNBSSA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1nnnn1C ZINC001491578350 919214438 /nfs/dbraw/zinc/21/44/38/919214438.db2.gz CTKMURYTFFTJHF-MNOVXSKESA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1nnnn1C ZINC001491578350 919214453 /nfs/dbraw/zinc/21/44/53/919214453.db2.gz CTKMURYTFFTJHF-MNOVXSKESA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CCCO ZINC001491580964 919215541 /nfs/dbraw/zinc/21/55/41/919215541.db2.gz YBDUGJXLOVHMRL-VXGBXAGGSA-N 2 1 257.378 -0.195 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001491630075 919239931 /nfs/dbraw/zinc/23/99/31/919239931.db2.gz DSEMYEMTURVJFL-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP COCC[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001491675414 919251606 /nfs/dbraw/zinc/25/16/06/919251606.db2.gz TYURIYCZWUDPBT-JTQLQIEISA-N 2 1 254.334 -0.068 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]CCCO ZINC001491672477 919252320 /nfs/dbraw/zinc/25/23/20/919252320.db2.gz AVECRJHJNUQLNR-JTQLQIEISA-N 2 1 254.334 -0.332 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCCO)C2)C1 ZINC001491795133 919281604 /nfs/dbraw/zinc/28/16/04/919281604.db2.gz PMKJBRQVVCNCEL-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCCO)C2)C1 ZINC001491795133 919281621 /nfs/dbraw/zinc/28/16/21/919281621.db2.gz PMKJBRQVVCNCEL-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001491876725 919296658 /nfs/dbraw/zinc/29/66/58/919296658.db2.gz IDAZERCKLGXPTF-RYUDHWBXSA-N 2 1 296.415 -0.027 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001492027423 919313341 /nfs/dbraw/zinc/31/33/41/919313341.db2.gz UJKKZSSPIFVSOR-IJLUTSLNSA-N 2 1 284.404 -0.443 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001492128413 919326303 /nfs/dbraw/zinc/32/63/03/919326303.db2.gz SSGALYXSDVCAHA-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001492395166 919408003 /nfs/dbraw/zinc/40/80/03/919408003.db2.gz UUEKMGQTODVUFD-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001492395166 919408013 /nfs/dbraw/zinc/40/80/13/919408013.db2.gz UUEKMGQTODVUFD-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCN(C)[C@@H](C)C(=O)N(C)C ZINC001492824064 919434076 /nfs/dbraw/zinc/43/40/76/919434076.db2.gz PZQSBKWZTOVCMA-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)C(=O)N(C)C ZINC001492824064 919434080 /nfs/dbraw/zinc/43/40/80/919434080.db2.gz PZQSBKWZTOVCMA-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)C(=O)N(C)C ZINC001492824064 919434089 /nfs/dbraw/zinc/43/40/89/919434089.db2.gz PZQSBKWZTOVCMA-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001492824064 919434101 /nfs/dbraw/zinc/43/41/01/919434101.db2.gz PZQSBKWZTOVCMA-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001492819674 919436276 /nfs/dbraw/zinc/43/62/76/919436276.db2.gz WQOJLYYFXUISTM-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001492819674 919436282 /nfs/dbraw/zinc/43/62/82/919436282.db2.gz WQOJLYYFXUISTM-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCn1cncn1 ZINC001492853291 919439973 /nfs/dbraw/zinc/43/99/73/919439973.db2.gz DIKCQOYDKNVGSN-GFCCVEGCSA-N 2 1 280.376 -0.722 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCn1cncn1 ZINC001492853291 919439980 /nfs/dbraw/zinc/43/99/80/919439980.db2.gz DIKCQOYDKNVGSN-GFCCVEGCSA-N 2 1 280.376 -0.722 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCn1cncn1 ZINC001492853291 919439991 /nfs/dbraw/zinc/43/99/91/919439991.db2.gz DIKCQOYDKNVGSN-GFCCVEGCSA-N 2 1 280.376 -0.722 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001493128388 919482640 /nfs/dbraw/zinc/48/26/40/919482640.db2.gz LVJADCCVRFSNKG-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001493128388 919482651 /nfs/dbraw/zinc/48/26/51/919482651.db2.gz LVJADCCVRFSNKG-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001493159593 919491119 /nfs/dbraw/zinc/49/11/19/919491119.db2.gz CMNLQXVACKZUMY-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493235090 919508562 /nfs/dbraw/zinc/50/85/62/919508562.db2.gz VDJUWDKZBMXNJO-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001493234261 919509308 /nfs/dbraw/zinc/50/93/08/919509308.db2.gz RFAITQDGVDYQST-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001493262298 919512373 /nfs/dbraw/zinc/51/23/73/919512373.db2.gz FQMUHJRPYKXZRO-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](CCO)C1 ZINC001493256078 919512795 /nfs/dbraw/zinc/51/27/95/919512795.db2.gz FZOOMBCKTKVHBX-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001493256078 919512809 /nfs/dbraw/zinc/51/28/09/919512809.db2.gz FZOOMBCKTKVHBX-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001493256078 919512825 /nfs/dbraw/zinc/51/28/25/919512825.db2.gz FZOOMBCKTKVHBX-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001493256314 919514605 /nfs/dbraw/zinc/51/46/05/919514605.db2.gz KEUAFVYWMMNABW-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001493256314 919514598 /nfs/dbraw/zinc/51/45/98/919514598.db2.gz KEUAFVYWMMNABW-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001493256314 919514619 /nfs/dbraw/zinc/51/46/19/919514619.db2.gz KEUAFVYWMMNABW-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001493258713 919515822 /nfs/dbraw/zinc/51/58/22/919515822.db2.gz GQDOSUKJRMGTQJ-QWHCGFSZSA-N 2 1 294.399 -0.591 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001493378080 919536326 /nfs/dbraw/zinc/53/63/26/919536326.db2.gz UHJVVKPSTODYDR-NSHDSACASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001493378080 919536333 /nfs/dbraw/zinc/53/63/33/919536333.db2.gz UHJVVKPSTODYDR-NSHDSACASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001493378080 919536344 /nfs/dbraw/zinc/53/63/44/919536344.db2.gz UHJVVKPSTODYDR-NSHDSACASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001493378080 919536356 /nfs/dbraw/zinc/53/63/56/919536356.db2.gz UHJVVKPSTODYDR-NSHDSACASA-N 2 1 296.415 -0.075 20 0 CBADMP CN(CC[NH2+]Cc1cnn(C)c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001493507147 919564299 /nfs/dbraw/zinc/56/42/99/919564299.db2.gz FDRCBBGAXZXFLU-ZDUSSCGKSA-N 2 1 295.387 -0.701 20 0 CBADMP CN(CC[NH2+]Cc1cnn(C)c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001493507147 919564307 /nfs/dbraw/zinc/56/43/07/919564307.db2.gz FDRCBBGAXZXFLU-ZDUSSCGKSA-N 2 1 295.387 -0.701 20 0 CBADMP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001493501974 919565052 /nfs/dbraw/zinc/56/50/52/919565052.db2.gz ZVUXOSFMUYTXBY-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CN(CC[NH2+]C[C@H]1CCCOC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001493508614 919565315 /nfs/dbraw/zinc/56/53/15/919565315.db2.gz PYPASYLSVRVRHY-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CC[NH2+]C[C@H]1CCCOC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001493508614 919565328 /nfs/dbraw/zinc/56/53/28/919565328.db2.gz PYPASYLSVRVRHY-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O)CC[N@H+]1C ZINC001493550834 919578939 /nfs/dbraw/zinc/57/89/39/919578939.db2.gz JWRSVQWRBDVBMP-SDDRHHMPSA-N 2 1 284.404 -0.362 20 0 CBADMP CN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001493574635 919582750 /nfs/dbraw/zinc/58/27/50/919582750.db2.gz KLEFZQZTDIBWFV-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP CN(CC[NH2+]CC(=O)N1CCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC001493580143 919584273 /nfs/dbraw/zinc/58/42/73/919584273.db2.gz QOMMQOIPCLVDKB-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP CN(CC[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001493793718 919621892 /nfs/dbraw/zinc/62/18/92/919621892.db2.gz KSQDZVHCWRUPFB-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCCC[N@H+](CC(N)=O)C(C)C ZINC001493876715 919631334 /nfs/dbraw/zinc/63/13/34/919631334.db2.gz AHEQMNDJWRNPFQ-UHFFFAOYSA-N 2 1 295.387 -0.106 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCCC[N@@H+](CC(N)=O)C(C)C ZINC001493876715 919631345 /nfs/dbraw/zinc/63/13/45/919631345.db2.gz AHEQMNDJWRNPFQ-UHFFFAOYSA-N 2 1 295.387 -0.106 20 0 CBADMP CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001494048078 919652640 /nfs/dbraw/zinc/65/26/40/919652640.db2.gz MTDHLKBFSDLACI-TZMCWYRMSA-N 2 1 298.431 -0.114 20 0 CBADMP COCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001494122783 919658883 /nfs/dbraw/zinc/65/88/83/919658883.db2.gz RADQBHXAIWLRGU-UONOGXRCSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001494122783 919658893 /nfs/dbraw/zinc/65/88/93/919658893.db2.gz RADQBHXAIWLRGU-UONOGXRCSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001494122783 919658906 /nfs/dbraw/zinc/65/89/06/919658906.db2.gz RADQBHXAIWLRGU-UONOGXRCSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001494122783 919658919 /nfs/dbraw/zinc/65/89/19/919658919.db2.gz RADQBHXAIWLRGU-UONOGXRCSA-N 2 1 299.415 -0.256 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)C(N)=O)C1 ZINC001494170574 919665995 /nfs/dbraw/zinc/66/59/95/919665995.db2.gz DHELAZUIGQZYGK-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)C(N)=O)C1 ZINC001494170574 919666008 /nfs/dbraw/zinc/66/60/08/919666008.db2.gz DHELAZUIGQZYGK-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001494170574 919666017 /nfs/dbraw/zinc/66/60/17/919666017.db2.gz DHELAZUIGQZYGK-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001494776230 919790487 /nfs/dbraw/zinc/79/04/87/919790487.db2.gz NJJUQDHDBVWMQT-GHMZBOCLSA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001494776230 919790495 /nfs/dbraw/zinc/79/04/95/919790495.db2.gz NJJUQDHDBVWMQT-GHMZBOCLSA-N 2 1 268.361 -0.983 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001494849141 919801783 /nfs/dbraw/zinc/80/17/83/919801783.db2.gz WMIWBKCUASFHQT-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001494848949 919805430 /nfs/dbraw/zinc/80/54/30/919805430.db2.gz UIUBSAXPZDOCAC-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001494862969 919807814 /nfs/dbraw/zinc/80/78/14/919807814.db2.gz JVCLQMQFDAZTQW-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001494862969 919807787 /nfs/dbraw/zinc/80/77/87/919807787.db2.gz JVCLQMQFDAZTQW-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001494862969 919807795 /nfs/dbraw/zinc/80/77/95/919807795.db2.gz JVCLQMQFDAZTQW-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001494862969 919807801 /nfs/dbraw/zinc/80/78/01/919807801.db2.gz JVCLQMQFDAZTQW-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCCOC ZINC001494960033 919826347 /nfs/dbraw/zinc/82/63/47/919826347.db2.gz SGNKSGFFWQCAPN-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCCOC ZINC001494960033 919826358 /nfs/dbraw/zinc/82/63/58/919826358.db2.gz SGNKSGFFWQCAPN-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001495095927 919862147 /nfs/dbraw/zinc/86/21/47/919862147.db2.gz ZMQRFFKBSQYADH-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001495301398 919883038 /nfs/dbraw/zinc/88/30/38/919883038.db2.gz UHCSOQFEANHTKC-HZMBPMFUSA-N 2 1 282.388 -0.702 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC2CC[NH+](CCO)CC2)C1 ZINC001495509594 919899497 /nfs/dbraw/zinc/89/94/97/919899497.db2.gz FTFIQIZUWKEQOG-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC2CC[NH+](CCO)CC2)C1 ZINC001495509594 919899506 /nfs/dbraw/zinc/89/95/06/919899506.db2.gz FTFIQIZUWKEQOG-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001495577666 919906414 /nfs/dbraw/zinc/90/64/14/919906414.db2.gz JLTKOYGKSOOYRQ-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)N1CCC1 ZINC001495809743 919948752 /nfs/dbraw/zinc/94/87/52/919948752.db2.gz TVJMWNLOKWQROC-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP COCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001496031534 920012141 /nfs/dbraw/zinc/01/21/41/920012141.db2.gz UARXGVNZHIOFEQ-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001496031534 920012155 /nfs/dbraw/zinc/01/21/55/920012155.db2.gz UARXGVNZHIOFEQ-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001496060512 920019593 /nfs/dbraw/zinc/01/95/93/920019593.db2.gz ZSDZWQMQMFMPJS-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001496142905 920029514 /nfs/dbraw/zinc/02/95/14/920029514.db2.gz ZROVVHHVAVVCGU-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001496142905 920029527 /nfs/dbraw/zinc/02/95/27/920029527.db2.gz ZROVVHHVAVVCGU-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001496142905 920029537 /nfs/dbraw/zinc/02/95/37/920029537.db2.gz ZROVVHHVAVVCGU-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)c1nnnn1C ZINC001496149591 920035628 /nfs/dbraw/zinc/03/56/28/920035628.db2.gz MPRJBLVHOKWECY-WDEREUQCSA-N 2 1 297.407 -0.341 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001496208047 920042784 /nfs/dbraw/zinc/04/27/84/920042784.db2.gz BISSIHYEAJJOFG-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001496210082 920043150 /nfs/dbraw/zinc/04/31/50/920043150.db2.gz OROURGADKRJIKO-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CC/C=C/CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001496963029 920180130 /nfs/dbraw/zinc/18/01/30/920180130.db2.gz ZIAJYUSAULRIHL-CTXXGXLOSA-N 2 1 299.415 -0.260 20 0 CBADMP CC/C=C/CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001496963029 920180140 /nfs/dbraw/zinc/18/01/40/920180140.db2.gz ZIAJYUSAULRIHL-CTXXGXLOSA-N 2 1 299.415 -0.260 20 0 CBADMP CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001497034223 920220134 /nfs/dbraw/zinc/22/01/34/920220134.db2.gz OXZDPMIRBSDKHY-VXGBXAGGSA-N 2 1 257.378 -0.197 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]CC2CC2)C1 ZINC001497053738 920231756 /nfs/dbraw/zinc/23/17/56/920231756.db2.gz LBJXXDPCQBEGGX-DGCLKSJQSA-N 2 1 269.389 -0.195 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]C[C@@H](C)O ZINC001497856141 920412120 /nfs/dbraw/zinc/41/21/20/920412120.db2.gz HXFGWADHZNQXAY-MWLCHTKSSA-N 2 1 254.334 -0.333 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001497876468 920413348 /nfs/dbraw/zinc/41/33/48/920413348.db2.gz IFXDJXBHUYYLNR-OUAUKWLOSA-N 2 1 270.377 -0.691 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001497876465 920415424 /nfs/dbraw/zinc/41/54/24/920415424.db2.gz IFXDJXBHUYYLNR-GMTAPVOTSA-N 2 1 270.377 -0.691 20 0 CBADMP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001497878674 920415598 /nfs/dbraw/zinc/41/55/98/920415598.db2.gz XQVTZZZEXNINHF-GMTAPVOTSA-N 2 1 268.361 -0.937 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001497955055 920429931 /nfs/dbraw/zinc/42/99/31/920429931.db2.gz QNRYOVHTRZMCBO-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@H](C[NH2+]CCn1cncn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497983723 920431959 /nfs/dbraw/zinc/43/19/59/920431959.db2.gz KAENJGRGVYFAMV-VXGBXAGGSA-N 2 1 280.376 -0.676 20 0 CBADMP C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)CCC[NH+](C)C ZINC001498097981 920479707 /nfs/dbraw/zinc/47/97/07/920479707.db2.gz FXWDPMGRDNHRLA-QWRGUYRKSA-N 2 1 297.407 -0.293 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001498197540 920513981 /nfs/dbraw/zinc/51/39/81/920513981.db2.gz PAIKYRZBJZYISA-NWDGAFQWSA-N 2 1 286.420 -0.102 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001498246782 920533026 /nfs/dbraw/zinc/53/30/26/920533026.db2.gz JWLYSSJIBJCXGH-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001498246782 920533042 /nfs/dbraw/zinc/53/30/42/920533042.db2.gz JWLYSSJIBJCXGH-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001498246782 920533049 /nfs/dbraw/zinc/53/30/49/920533049.db2.gz JWLYSSJIBJCXGH-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001498246782 920533061 /nfs/dbraw/zinc/53/30/61/920533061.db2.gz JWLYSSJIBJCXGH-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)N1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001498275043 920537144 /nfs/dbraw/zinc/53/71/44/920537144.db2.gz BVCHVSPHIIDNJY-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001498369399 920565006 /nfs/dbraw/zinc/56/50/06/920565006.db2.gz MWBGVDIKZGFODX-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001498369399 920565023 /nfs/dbraw/zinc/56/50/23/920565023.db2.gz MWBGVDIKZGFODX-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N1CCCC1)NC(=O)CC[NH+](C)C ZINC001498394094 920573090 /nfs/dbraw/zinc/57/30/90/920573090.db2.gz JMVNFRGCSNZLLF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N1CCCC1)NC(=O)CC[NH+](C)C ZINC001498394094 920573102 /nfs/dbraw/zinc/57/31/02/920573102.db2.gz JMVNFRGCSNZLLF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001498611787 920617024 /nfs/dbraw/zinc/61/70/24/920617024.db2.gz BGCAXZWPIGDOAE-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001498655969 920622867 /nfs/dbraw/zinc/62/28/67/920622867.db2.gz XPIJQSUMFAOFTD-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C[NH2+][C@H](C)C(N)=O)C1CC1 ZINC001498861834 920649006 /nfs/dbraw/zinc/64/90/06/920649006.db2.gz GANQSEDKODHZBA-BXKDBHETSA-N 2 1 293.371 -0.450 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C[NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001498861839 920650145 /nfs/dbraw/zinc/65/01/45/920650145.db2.gz GANQSEDKODHZBA-JOYOIKCWSA-N 2 1 293.371 -0.450 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CCOCCO)C1 ZINC001499066609 920695384 /nfs/dbraw/zinc/69/53/84/920695384.db2.gz LTKVKNIMWVWANS-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2CCOCCO)C1 ZINC001499066609 920695418 /nfs/dbraw/zinc/69/54/18/920695418.db2.gz LTKVKNIMWVWANS-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2CCOCCO)C1 ZINC001499066609 920695432 /nfs/dbraw/zinc/69/54/32/920695432.db2.gz LTKVKNIMWVWANS-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2CCOCCO)C1 ZINC001499066609 920695440 /nfs/dbraw/zinc/69/54/40/920695440.db2.gz LTKVKNIMWVWANS-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1CCCO ZINC001499128350 920705156 /nfs/dbraw/zinc/70/51/56/920705156.db2.gz WNUOGOVITPMFJH-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001499128350 920705159 /nfs/dbraw/zinc/70/51/59/920705159.db2.gz WNUOGOVITPMFJH-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001499128350 920705168 /nfs/dbraw/zinc/70/51/68/920705168.db2.gz WNUOGOVITPMFJH-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1 ZINC001499290422 920728797 /nfs/dbraw/zinc/72/87/97/920728797.db2.gz YIDNNMAWHXQNLD-SNVBAGLBSA-N 2 1 279.344 -0.696 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1([NH2+]CCO)CC1)C2 ZINC001499351536 920742017 /nfs/dbraw/zinc/74/20/17/920742017.db2.gz CNZYXQMSDQMZQW-GFCCVEGCSA-N 2 1 292.383 -0.015 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@@H](C)OC)CC2)C1 ZINC001499456727 920748899 /nfs/dbraw/zinc/74/88/99/920748899.db2.gz WXRNIIVYPVMTLR-OLZOCXBDSA-N 2 1 299.415 -0.020 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@@H](C)OC)CC2)C1 ZINC001499456727 920748906 /nfs/dbraw/zinc/74/89/06/920748906.db2.gz WXRNIIVYPVMTLR-OLZOCXBDSA-N 2 1 299.415 -0.020 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC(=O)N(C)C)CC1 ZINC001499459484 920751744 /nfs/dbraw/zinc/75/17/44/920751744.db2.gz YEHYUAQEIUTASK-UHFFFAOYSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001500282017 920827135 /nfs/dbraw/zinc/82/71/35/920827135.db2.gz YQZNRXHJDLBIGF-RISCZKNCSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001500282017 920827142 /nfs/dbraw/zinc/82/71/42/920827142.db2.gz YQZNRXHJDLBIGF-RISCZKNCSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)C1 ZINC001500282017 920827146 /nfs/dbraw/zinc/82/71/46/920827146.db2.gz YQZNRXHJDLBIGF-RISCZKNCSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)C1 ZINC001500282017 920827156 /nfs/dbraw/zinc/82/71/56/920827156.db2.gz YQZNRXHJDLBIGF-RISCZKNCSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)CCC1 ZINC001500686571 920857491 /nfs/dbraw/zinc/85/74/91/920857491.db2.gz GPDDPCPLIUHMRC-ZDUSSCGKSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)CCC1 ZINC001500686570 920858858 /nfs/dbraw/zinc/85/88/58/920858858.db2.gz GPDDPCPLIUHMRC-CYBMUJFWSA-N 2 1 285.388 -0.984 20 0 CBADMP CC[N@H+]1CC[C@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001500743277 920875307 /nfs/dbraw/zinc/87/53/07/920875307.db2.gz KKYFBMPYEZLICY-HNNXBMFYSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CCF)C1 ZINC001500767076 920876941 /nfs/dbraw/zinc/87/69/41/920876941.db2.gz WMWOXINQVFBBNJ-ZDUSSCGKSA-N 2 1 275.368 -0.151 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CCF)C1 ZINC001500767076 920876951 /nfs/dbraw/zinc/87/69/51/920876951.db2.gz WMWOXINQVFBBNJ-ZDUSSCGKSA-N 2 1 275.368 -0.151 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001500767076 920876962 /nfs/dbraw/zinc/87/69/62/920876962.db2.gz WMWOXINQVFBBNJ-ZDUSSCGKSA-N 2 1 275.368 -0.151 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001500767076 920876977 /nfs/dbraw/zinc/87/69/77/920876977.db2.gz WMWOXINQVFBBNJ-ZDUSSCGKSA-N 2 1 275.368 -0.151 20 0 CBADMP CCCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001500976916 920933945 /nfs/dbraw/zinc/93/39/45/920933945.db2.gz PZYJFQGFIILNTA-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CCCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500976916 920933953 /nfs/dbraw/zinc/93/39/53/920933953.db2.gz PZYJFQGFIILNTA-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001501345787 920980876 /nfs/dbraw/zinc/98/08/76/920980876.db2.gz PDKVZJCNZMEQRL-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507562173 921869138 /nfs/dbraw/zinc/86/91/38/921869138.db2.gz JQXDZXFBPNXSBW-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C[NH+](C)C1CCC1 ZINC001507640877 921889100 /nfs/dbraw/zinc/88/91/00/921889100.db2.gz VVJBGHXTNQRGSV-CYBMUJFWSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001507640877 921889104 /nfs/dbraw/zinc/88/91/04/921889104.db2.gz VVJBGHXTNQRGSV-CYBMUJFWSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)C[N@@H+](C)C1CCC1 ZINC001507640877 921889109 /nfs/dbraw/zinc/88/91/09/921889109.db2.gz VVJBGHXTNQRGSV-CYBMUJFWSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(CCOCC[NH2+]CC1CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001508172871 921917265 /nfs/dbraw/zinc/91/72/65/921917265.db2.gz JOBZRQHMGWNVRX-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CCOCC[NH2+]CC1CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001508172871 921917278 /nfs/dbraw/zinc/91/72/78/921917278.db2.gz JOBZRQHMGWNVRX-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP COC[C@H]1C[NH2+]CCN1C(=O)Cn1cc[nH+]c1C ZINC001514595877 922208326 /nfs/dbraw/zinc/20/83/26/922208326.db2.gz MZRTZMBXTMUDDL-LLVKDONJSA-N 2 1 252.318 -0.362 20 0 CBADMP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001515317278 922230270 /nfs/dbraw/zinc/23/02/70/922230270.db2.gz AHVBAAYMGCNAFB-GRYCIOLGSA-N 2 1 255.362 -0.219 20 0 CBADMP C[C@@H](NC(=O)C[NH2+]C1CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001515359374 922230890 /nfs/dbraw/zinc/23/08/90/922230890.db2.gz OMFVMSQKRDJEBW-PWSUYJOCSA-N 2 1 254.378 -0.511 20 0 CBADMP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001515319694 922231566 /nfs/dbraw/zinc/23/15/66/922231566.db2.gz XLVFXGKPVHQWRV-CYDGBPFRSA-N 2 1 267.373 -0.219 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001515356299 922233244 /nfs/dbraw/zinc/23/32/44/922233244.db2.gz BEUOGUYVEMGIAA-FIQHERPVSA-N 2 1 256.394 -0.280 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)[C@H]1CN(C)CCN1C ZINC001515356299 922233258 /nfs/dbraw/zinc/23/32/58/922233258.db2.gz BEUOGUYVEMGIAA-FIQHERPVSA-N 2 1 256.394 -0.280 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C[C@@H](O)C[NH3+])C1 ZINC001521482885 922360134 /nfs/dbraw/zinc/36/01/34/922360134.db2.gz XMRBAADROCWCLI-NWDGAFQWSA-N 2 1 257.378 -0.210 20 0 CBADMP C[C@H]1Cn2nc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2C[NH2+]1 ZINC001521508408 922363149 /nfs/dbraw/zinc/36/31/49/922363149.db2.gz UQSVVFHGMZODDN-GZMMTYOYSA-N 2 1 263.345 -0.158 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001521527793 922365816 /nfs/dbraw/zinc/36/58/16/922365816.db2.gz UMEXOJWWDMDCAC-TUAOUCFPSA-N 2 1 252.362 -0.757 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)CC[N@H+]1C ZINC001521788103 922380936 /nfs/dbraw/zinc/38/09/36/922380936.db2.gz AQBBIHSOGJJQLS-YRGRVCCFSA-N 2 1 269.389 -0.148 20 0 CBADMP CCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001522084490 922398180 /nfs/dbraw/zinc/39/81/80/922398180.db2.gz QEHBNCUPAFHOLX-WOPDTQHZSA-N 2 1 255.362 -0.300 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001522654142 922497996 /nfs/dbraw/zinc/49/79/96/922497996.db2.gz NAIASWHHKVHYGV-LBPRGKRZSA-N 2 1 293.371 -0.624 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001522654142 922498006 /nfs/dbraw/zinc/49/80/06/922498006.db2.gz NAIASWHHKVHYGV-LBPRGKRZSA-N 2 1 293.371 -0.624 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001522840529 922532663 /nfs/dbraw/zinc/53/26/63/922532663.db2.gz IGODSUQYWUFMLZ-UHFFFAOYSA-N 2 1 268.361 -0.286 20 0 CBADMP COCC[C@H]([NH3+])C(=O)NCCCCC[NH+]1CCNCC1 ZINC001522933423 922549511 /nfs/dbraw/zinc/54/95/11/922549511.db2.gz ZKDSNMJNHZKNNN-ZDUSSCGKSA-N 2 1 286.420 -0.458 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCNCC[NH2+]CC1 ZINC001522997322 922554468 /nfs/dbraw/zinc/55/44/68/922554468.db2.gz BMCAULAHUYGZOQ-BETUJISGSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@H](NC(=O)C1(C)C[NH2+]C1)[C@H]1C[N@@H+](C)CCN1C ZINC001524028518 922614772 /nfs/dbraw/zinc/61/47/72/922614772.db2.gz CCWSVBGEVQJXBH-WDEREUQCSA-N 2 1 254.378 -0.654 20 0 CBADMP CC[NH+](CC)CC(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001528184922 922813092 /nfs/dbraw/zinc/81/30/92/922813092.db2.gz SGIFUIACSUIBQM-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](CC)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001528184921 922813478 /nfs/dbraw/zinc/81/34/78/922813478.db2.gz SGIFUIACSUIBQM-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP C[NH+](C)CCC(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001530768763 922967584 /nfs/dbraw/zinc/96/75/84/922967584.db2.gz HIAPCWZLKGVHFI-ZDUSSCGKSA-N 2 1 296.415 -0.536 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548553916 923374473 /nfs/dbraw/zinc/37/44/73/923374473.db2.gz POQFUZPOAUUKHR-BZPMIXESSA-N 2 1 283.372 -0.798 20 0 CBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548550381 923374708 /nfs/dbraw/zinc/37/47/08/923374708.db2.gz FUYPINHCRCDGIF-SUNKGSAMSA-N 2 1 265.357 -0.282 20 0 CBADMP C[NH2+]C1CC(C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)C1 ZINC001548557610 923380640 /nfs/dbraw/zinc/38/06/40/923380640.db2.gz JACIHKNLRYLGIB-HTAVTVPLSA-N 2 1 277.372 -0.109 20 0 CBADMP COc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001548568654 923389125 /nfs/dbraw/zinc/38/91/25/923389125.db2.gz IVMWLNMSBFCRFK-GXFFZTMASA-N 2 1 291.351 -0.058 20 0 CBADMP CC1(C)CN(C(=O)[C@H]2CSC[NH2+]2)CC2(C[NH2+]C2)O1 ZINC001548576385 923403253 /nfs/dbraw/zinc/40/32/53/923403253.db2.gz UFPUVPWAMHOYMR-SECBINFHSA-N 2 1 271.386 -0.372 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548635607 923414987 /nfs/dbraw/zinc/41/49/87/923414987.db2.gz HQMRYXDKDCMWNO-WCQYABFASA-N 2 1 277.372 -0.304 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001548635607 923414995 /nfs/dbraw/zinc/41/49/95/923414995.db2.gz HQMRYXDKDCMWNO-WCQYABFASA-N 2 1 277.372 -0.304 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C)[NH+](C)C1CC1 ZINC001548640224 923422556 /nfs/dbraw/zinc/42/25/56/923422556.db2.gz PITXVFDAXWFECC-SCRDCRAPSA-N 2 1 280.416 -0.026 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C)[N@H+](C)C1CC1 ZINC001548640224 923422561 /nfs/dbraw/zinc/42/25/61/923422561.db2.gz PITXVFDAXWFECC-SCRDCRAPSA-N 2 1 280.416 -0.026 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C)[N@@H+](C)C1CC1 ZINC001548640224 923422569 /nfs/dbraw/zinc/42/25/69/923422569.db2.gz PITXVFDAXWFECC-SCRDCRAPSA-N 2 1 280.416 -0.026 20 0 CBADMP CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)CC1 ZINC001548643795 923429939 /nfs/dbraw/zinc/42/99/39/923429939.db2.gz VIMBKAKZMUKPLJ-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001548643795 923429944 /nfs/dbraw/zinc/42/99/44/923429944.db2.gz VIMBKAKZMUKPLJ-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548643795 923429955 /nfs/dbraw/zinc/42/99/55/923429955.db2.gz VIMBKAKZMUKPLJ-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1([NH+](C)C)CCC1 ZINC001548690496 923452361 /nfs/dbraw/zinc/45/23/61/923452361.db2.gz OWTPZQPASSHHRP-QWHCGFSZSA-N 2 1 280.416 -0.025 20 0 CBADMP C[NH+](C)CC(=O)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1 ZINC001548993440 923523008 /nfs/dbraw/zinc/52/30/08/923523008.db2.gz ASUZMDHXDCQAFW-QJPTWQEYSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+](C)CC(=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1 ZINC001548993440 923523022 /nfs/dbraw/zinc/52/30/22/923523022.db2.gz ASUZMDHXDCQAFW-QJPTWQEYSA-N 2 1 255.362 -0.348 20 0 CBADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC001549043476 923525271 /nfs/dbraw/zinc/52/52/71/923525271.db2.gz KBOOSDPFQJJBFL-ZIAGYGMSSA-N 3 1 280.416 -0.118 20 0 CBADMP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC001549043476 923525284 /nfs/dbraw/zinc/52/52/84/923525284.db2.gz KBOOSDPFQJJBFL-ZIAGYGMSSA-N 3 1 280.416 -0.118 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+]C1 ZINC001549042837 923527132 /nfs/dbraw/zinc/52/71/32/923527132.db2.gz DKIJMMHJUDAHIJ-WDEREUQCSA-N 2 1 263.345 -0.498 20 0 CBADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001549044056 923529555 /nfs/dbraw/zinc/52/95/55/923529555.db2.gz XAKATJFBLAUGBG-KBPBESRZSA-N 3 1 280.416 -0.260 20 0 CBADMP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC001549044056 923529565 /nfs/dbraw/zinc/52/95/65/923529565.db2.gz XAKATJFBLAUGBG-KBPBESRZSA-N 2 1 280.416 -0.260 20 0 CBADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC001549044056 923529579 /nfs/dbraw/zinc/52/95/79/923529579.db2.gz XAKATJFBLAUGBG-KBPBESRZSA-N 2 1 280.416 -0.260 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC001549044670 923536187 /nfs/dbraw/zinc/53/61/87/923536187.db2.gz HNOSCJQJSNETAJ-XUJVJEKNSA-N 2 1 289.383 -0.107 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001549045402 923538520 /nfs/dbraw/zinc/53/85/20/923538520.db2.gz VWZWNKIBYXHWDD-VXGBXAGGSA-N 2 1 293.371 -0.729 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549049174 923546151 /nfs/dbraw/zinc/54/61/51/923546151.db2.gz CQSYCMVNWGZPNT-BQUFFADESA-N 2 1 293.371 -0.950 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)C1 ZINC001549049184 923548075 /nfs/dbraw/zinc/54/80/75/923548075.db2.gz INJFACOWNVHMGW-HZSPNIEDSA-N 2 1 297.399 -0.280 20 0 CBADMP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001549113688 923557698 /nfs/dbraw/zinc/55/76/98/923557698.db2.gz OUDNMIRXIWNZIL-OCCSQVGLSA-N 3 1 266.389 -0.521 20 0 CBADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001549113688 923557711 /nfs/dbraw/zinc/55/77/11/923557711.db2.gz OUDNMIRXIWNZIL-OCCSQVGLSA-N 3 1 266.389 -0.521 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)O1 ZINC001549202601 923570107 /nfs/dbraw/zinc/57/01/07/923570107.db2.gz RJIZDSQQJHPLPV-WOPDTQHZSA-N 2 1 293.371 -0.730 20 0 CBADMP O=C(NCC12CC(C1)C[NH2+]2)N1CC[N@H+]2C[C@@H](O)C[C@H]2C1 ZINC001549212435 923570752 /nfs/dbraw/zinc/57/07/52/923570752.db2.gz FUWSAQSJARAZLG-ATJQQHLPSA-N 2 1 280.372 -0.801 20 0 CBADMP [NH3+]CCNC(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001549214991 923571170 /nfs/dbraw/zinc/57/11/70/923571170.db2.gz TXMHZDUWTDYVJO-NWDGAFQWSA-N 2 1 282.388 -0.112 20 0 CBADMP C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC001549212007 923571561 /nfs/dbraw/zinc/57/15/61/923571561.db2.gz RSYXYIGICJEEPZ-UQJCBBSYSA-N 2 1 296.415 -0.165 20 0 CBADMP O[C@@H]1C[C@@H]2CN(C[C@H]3CCC4(C[NH2+]C4)O3)CC[N@H+]2C1 ZINC001549284318 923578762 /nfs/dbraw/zinc/57/87/62/923578762.db2.gz UKANGNVMQXWQQQ-JHJVBQTASA-N 2 1 267.373 -0.742 20 0 CBADMP O=C(Nc1cn[nH]c1[C@H]1CC[NH2+]C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001549731847 923632578 /nfs/dbraw/zinc/63/25/78/923632578.db2.gz QPQAKDKDLZKXMO-WYOJIJJFSA-N 2 1 261.329 -0.110 20 0 CBADMP Cn1nnnc1CC[N@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549776477 923643242 /nfs/dbraw/zinc/64/32/42/923643242.db2.gz SJBDCPWRAWZZFG-CMPLNLGQSA-N 2 1 250.350 -0.187 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3C[NH3+])CC[C@H]21 ZINC001549883663 923645706 /nfs/dbraw/zinc/64/57/06/923645706.db2.gz VROGXJJOFUOARI-FDYHWXHSSA-N 2 1 267.373 -0.097 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001550059640 923659632 /nfs/dbraw/zinc/65/96/32/923659632.db2.gz FKPWKVISNZXZTE-RYUDHWBXSA-N 2 1 264.329 -0.219 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001550061127 923662132 /nfs/dbraw/zinc/66/21/32/923662132.db2.gz PLGLYERWMARBQN-NEPJUHHUSA-N 2 1 264.329 -0.219 20 0 CBADMP C[C@@H]1[C@@H](C(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)CC[N@H+]1C ZINC001550096574 923680456 /nfs/dbraw/zinc/68/04/56/923680456.db2.gz LISYPGKNFMCJFW-WXHSDQCUSA-N 2 1 292.387 -0.150 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)c3cn(CCC[NH3+])nn3)CC[C@@H]21 ZINC001550104435 923683337 /nfs/dbraw/zinc/68/33/37/923683337.db2.gz NISGYORBLWEFTL-YPMHNXCESA-N 2 1 292.387 -0.207 20 0 CBADMP CO[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC001550103703 923683811 /nfs/dbraw/zinc/68/38/11/923683811.db2.gz HAGXLVGWXYMOSL-MROQNXINSA-N 2 1 267.373 -0.084 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)c3cn(CC[NH3+])nn3)CC[C@@H]21 ZINC001550104397 923684515 /nfs/dbraw/zinc/68/45/15/923684515.db2.gz MQWVEHJGJPESJH-PWSUYJOCSA-N 2 1 278.360 -0.597 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550114384 923685675 /nfs/dbraw/zinc/68/56/75/923685675.db2.gz DWBAUAWVKRSNSQ-AVGNSLFASA-N 2 1 297.399 -0.362 20 0 CBADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)C1 ZINC001550274483 923712450 /nfs/dbraw/zinc/71/24/50/923712450.db2.gz GMQIDCRXEYXCJW-MXWKQRLJSA-N 2 1 269.393 -0.556 20 0 CBADMP N[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@H]1[NH3+] ZINC001550268616 923713788 /nfs/dbraw/zinc/71/37/88/923713788.db2.gz YRNVWKBHVSJKPA-FDYHWXHSSA-N 2 1 281.404 -0.317 20 0 CBADMP C[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)C3(O)CCCC3)C2)CC1 ZINC001550531042 923729157 /nfs/dbraw/zinc/72/91/57/923729157.db2.gz FCQLYZOXAHPYJD-CABCVRRESA-N 2 1 297.443 -0.026 20 0 CBADMP C[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)C3(O)CCCC3)C2)CC1 ZINC001550531042 923729172 /nfs/dbraw/zinc/72/91/72/923729172.db2.gz FCQLYZOXAHPYJD-CABCVRRESA-N 2 1 297.443 -0.026 20 0 CBADMP CNC(=O)[C@@]12C[N@@H+](CC3CC([NH3+])C3)C[C@H]1COCC2 ZINC001551412502 923781726 /nfs/dbraw/zinc/78/17/26/923781726.db2.gz VKXISGRNWQUHSL-KMMRNIFNSA-N 2 1 267.373 -0.192 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551619254 923808144 /nfs/dbraw/zinc/80/81/44/923808144.db2.gz ZDCAKDMKCARSAT-JJMZSNKZSA-N 2 1 282.388 -0.426 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551619254 923808150 /nfs/dbraw/zinc/80/81/50/923808150.db2.gz ZDCAKDMKCARSAT-JJMZSNKZSA-N 2 1 282.388 -0.426 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551619253 923808971 /nfs/dbraw/zinc/80/89/71/923808971.db2.gz ZDCAKDMKCARSAT-ATWGWHJKSA-N 2 1 282.388 -0.426 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551619253 923808985 /nfs/dbraw/zinc/80/89/85/923808985.db2.gz ZDCAKDMKCARSAT-ATWGWHJKSA-N 2 1 282.388 -0.426 20 0 CBADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551618848 923809591 /nfs/dbraw/zinc/80/95/91/923809591.db2.gz YWVKTNYICNILDW-AXLADZDYSA-N 2 1 296.415 -0.037 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552199770 923855215 /nfs/dbraw/zinc/85/52/15/923855215.db2.gz DASQMPGYHLQMAI-ZSEWYUTFSA-N 2 1 279.384 -0.179 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552199749 923856846 /nfs/dbraw/zinc/85/68/46/923856846.db2.gz IFZQUBOIUHXKAZ-ZOWXZIJZSA-N 2 1 279.384 -0.177 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552201998 923857982 /nfs/dbraw/zinc/85/79/82/923857982.db2.gz ZCODSBHEOOEZBL-MBNYWOFBSA-N 2 1 267.373 -0.320 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)n1C ZINC001552200940 923859168 /nfs/dbraw/zinc/85/91/68/923859168.db2.gz IEADBDHZAVRKOR-QMTHXVAHSA-N 2 1 293.371 -0.662 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552200973 923860101 /nfs/dbraw/zinc/86/01/01/923860101.db2.gz IUYYYTWCIDDARZ-NFAWXSAZSA-N 2 1 279.384 -0.177 20 0 CBADMP N[C@H]1CN(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001552293029 923882409 /nfs/dbraw/zinc/88/24/09/923882409.db2.gz NTLRGHWBBLNRLV-RQJABVFESA-N 2 1 295.431 -0.212 20 0 CBADMP N[C@H]1CN(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001552291929 923882616 /nfs/dbraw/zinc/88/26/16/923882616.db2.gz FAVATPUUUPHEDG-ZDEQEGDKSA-N 2 1 281.404 -0.602 20 0 CBADMP N[C@H]1CN(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001552293030 923883610 /nfs/dbraw/zinc/88/36/10/923883610.db2.gz NTLRGHWBBLNRLV-XDQVBPFNSA-N 2 1 295.431 -0.212 20 0 CBADMP C[C@@H]1CN(C(=O)N2C[C@@H](N)[C@H]([NH3+])C2)CC[N@H+](C2CCC2)C1 ZINC001552293858 923884524 /nfs/dbraw/zinc/88/45/24/923884524.db2.gz WKEKQKQSYDNBNM-IACUBPJLSA-N 2 1 295.431 -0.117 20 0 CBADMP Cc1c(C(=O)NC[C@@H]2CC[N@H+](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552434498 923904372 /nfs/dbraw/zinc/90/43/72/923904372.db2.gz SYNCWHRYXSOPJG-NWDGAFQWSA-N 2 1 292.387 -0.198 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCC[NH2+]C2)CC1 ZINC001552434334 923904487 /nfs/dbraw/zinc/90/44/87/923904487.db2.gz LICXVKRCOSPAPU-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP Cc1c(C(=O)N2CCC[N@H+](C)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552437115 923905023 /nfs/dbraw/zinc/90/50/23/923905023.db2.gz XPGRIMCUECFLDS-LBPRGKRZSA-N 2 1 292.387 -0.101 20 0 CBADMP Cc1c(C(=O)NC[C@@H]2CC[N@H+](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552434500 923905065 /nfs/dbraw/zinc/90/50/65/923905065.db2.gz SYNCWHRYXSOPJG-RYUDHWBXSA-N 2 1 292.387 -0.198 20 0 CBADMP Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552440038 923909071 /nfs/dbraw/zinc/90/90/71/923909071.db2.gz IUWUXQXLDGQXRS-NWDGAFQWSA-N 2 1 292.387 -0.103 20 0 CBADMP O=C(c1cnc(C2CC[NH2+]CC2)[nH]1)N1CC[NH2+]CC1 ZINC001552686044 923912141 /nfs/dbraw/zinc/91/21/41/923912141.db2.gz SMOVPIYJILNIKK-UHFFFAOYSA-N 2 1 263.345 -0.078 20 0 CBADMP CN(CC[NH3+])C(=O)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC001552695757 923916431 /nfs/dbraw/zinc/91/64/31/923916431.db2.gz GHFPYWBBVIMUQX-UHFFFAOYSA-N 2 1 251.334 -0.093 20 0 CBADMP [NH3+]C[C@@H]1CN(C(=O)c2cnc(C3CC[NH2+]CC3)[nH]2)CCO1 ZINC001552694399 923917343 /nfs/dbraw/zinc/91/73/43/923917343.db2.gz UXFAZCPTLPARNJ-LLVKDONJSA-N 2 1 293.371 -0.324 20 0 CBADMP C[NH+]1CCC2(CCN(C(=O)N3C[C@@H]([NH3+])[C@@H](N)C3)CC2)CC1 ZINC001552960569 923927046 /nfs/dbraw/zinc/92/70/46/923927046.db2.gz OTYWIRRYRBQPER-BETUJISGSA-N 2 1 295.431 -0.116 20 0 CBADMP N[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1n1ccnn1 ZINC001552973406 923931220 /nfs/dbraw/zinc/93/12/20/923931220.db2.gz DJYFPDSRUXFHJS-GTGGMXTKSA-N 2 1 276.388 -0.007 20 0 CBADMP N[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1n1ccnn1 ZINC001552973406 923931229 /nfs/dbraw/zinc/93/12/29/923931229.db2.gz DJYFPDSRUXFHJS-GTGGMXTKSA-N 2 1 276.388 -0.007 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC001552981271 923931625 /nfs/dbraw/zinc/93/16/25/923931625.db2.gz RKQXGJIWKVYYNX-GXTWGEPZSA-N 2 1 280.416 -0.358 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C1 ZINC001552981271 923931634 /nfs/dbraw/zinc/93/16/34/923931634.db2.gz RKQXGJIWKVYYNX-GXTWGEPZSA-N 2 1 280.416 -0.358 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C1 ZINC001552981271 923931641 /nfs/dbraw/zinc/93/16/41/923931641.db2.gz RKQXGJIWKVYYNX-GXTWGEPZSA-N 2 1 280.416 -0.358 20 0 CBADMP CN(C(=O)C1CN(C)CC[N@@H+](C)C1)[C@H]1CC[NH+](C)C1 ZINC001552988483 923934753 /nfs/dbraw/zinc/93/47/53/923934753.db2.gz LHSJUNUDAKQSGG-ZDUSSCGKSA-N 2 1 268.405 -0.358 20 0 CBADMP CN(C(=O)C1CN(C)CC[NH+](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC001552988483 923934721 /nfs/dbraw/zinc/93/47/21/923934721.db2.gz LHSJUNUDAKQSGG-ZDUSSCGKSA-N 2 1 268.405 -0.358 20 0 CBADMP CN(C(=O)C1CN(C)CC[N@H+](C)C1)[C@H]1CC[NH+](C)C1 ZINC001552988483 923934734 /nfs/dbraw/zinc/93/47/34/923934734.db2.gz LHSJUNUDAKQSGG-ZDUSSCGKSA-N 2 1 268.405 -0.358 20 0 CBADMP CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C[C@H]21 ZINC001553013779 923934861 /nfs/dbraw/zinc/93/48/61/923934861.db2.gz DRQUOJOXOIGRFV-BFHYXJOUSA-N 2 1 295.383 -0.704 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001553013967 923935810 /nfs/dbraw/zinc/93/58/10/923935810.db2.gz FSTIRUVTSPJUHM-VXGBXAGGSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC(C(N)=O)C1 ZINC001553014768 923936094 /nfs/dbraw/zinc/93/60/94/923936094.db2.gz URPFATJIIXQTRJ-ILDUYXDCSA-N 2 1 253.346 -0.439 20 0 CBADMP C[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC(C(N)=O)C1 ZINC001553304214 923946087 /nfs/dbraw/zinc/94/60/87/923946087.db2.gz BNEGRQIUZZEHMC-UAKHECDHSA-N 2 1 267.373 -0.049 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)NC3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553345465 923949624 /nfs/dbraw/zinc/94/96/24/923949624.db2.gz WBCCSFLMWLPPEO-SMDDNHRTSA-N 3 1 266.389 -0.604 20 0 CBADMP CN1CC[C@@]2(C(=O)NC3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553345465 923949632 /nfs/dbraw/zinc/94/96/32/923949632.db2.gz WBCCSFLMWLPPEO-SMDDNHRTSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553345463 923950925 /nfs/dbraw/zinc/95/09/25/923950925.db2.gz WBCCSFLMWLPPEO-FZMZJTMJSA-N 3 1 266.389 -0.604 20 0 CBADMP CN1CC[C@]2(C(=O)NC3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553345463 923950932 /nfs/dbraw/zinc/95/09/32/923950932.db2.gz WBCCSFLMWLPPEO-FZMZJTMJSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC3CCC([NH3+])CC3)C[NH2+]C[C@@H]2C1 ZINC001553351764 923952828 /nfs/dbraw/zinc/95/28/28/923952828.db2.gz BZHYACLZYCZVPD-LPXQKFACSA-N 3 1 280.416 -0.086 20 0 CBADMP CN1CC[C@]2(C(=O)NC3CCC([NH3+])CC3)C[NH2+]C[C@@H]2C1 ZINC001553351764 923952836 /nfs/dbraw/zinc/95/28/36/923952836.db2.gz BZHYACLZYCZVPD-LPXQKFACSA-N 2 1 280.416 -0.086 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553353461 923955952 /nfs/dbraw/zinc/95/59/52/923955952.db2.gz DTOHFVUKKHDTBJ-BZPMIXESSA-N 3 1 268.405 -0.373 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@]12C[NH2+]C[C@@H]1CN(C)CC2 ZINC001553353461 923955959 /nfs/dbraw/zinc/95/59/59/923955959.db2.gz DTOHFVUKKHDTBJ-BZPMIXESSA-N 2 1 268.405 -0.373 20 0 CBADMP CN(CC(C)(C)C[NH3+])C(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553358463 923959627 /nfs/dbraw/zinc/95/96/27/923959627.db2.gz HVKAFPSSTNUUMM-WFASDCNBSA-N 3 1 282.432 -0.029 20 0 CBADMP CN(CC(C)(C)C[NH3+])C(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553358463 923959632 /nfs/dbraw/zinc/95/96/32/923959632.db2.gz HVKAFPSSTNUUMM-WFASDCNBSA-N 3 1 282.432 -0.029 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553357131 923962713 /nfs/dbraw/zinc/96/27/13/923962713.db2.gz VVCXXTFVXVCXTC-GMXVVIOVSA-N 3 1 254.378 -0.619 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)[C@]12C[NH2+]C[C@H]1CN(C)CC2 ZINC001553357131 923962726 /nfs/dbraw/zinc/96/27/26/923962726.db2.gz VVCXXTFVXVCXTC-GMXVVIOVSA-N 2 1 254.378 -0.619 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553357137 923962811 /nfs/dbraw/zinc/96/28/11/923962811.db2.gz VVCXXTFVXVCXTC-GVXVVHGQSA-N 3 1 254.378 -0.619 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)[C@@]12C[NH2+]C[C@H]1CN(C)CC2 ZINC001553357137 923962817 /nfs/dbraw/zinc/96/28/17/923962817.db2.gz VVCXXTFVXVCXTC-GVXVVHGQSA-N 2 1 254.378 -0.619 20 0 CBADMP CC(C)NC(=O)CN(C)C(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553372733 923964488 /nfs/dbraw/zinc/96/44/88/923964488.db2.gz KGKQZIDLVQDKNG-SWLSCSKDSA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)NC(=O)CN(C)C(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553372733 923964497 /nfs/dbraw/zinc/96/44/97/923964497.db2.gz KGKQZIDLVQDKNG-SWLSCSKDSA-N 2 1 296.415 -0.489 20 0 CBADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCOCC3)C[NH2+]C[C@H]2C1 ZINC001553364217 923964734 /nfs/dbraw/zinc/96/47/34/923964734.db2.gz XKRSYRSFRROFHP-WCQYABFASA-N 2 1 253.346 -0.614 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)N3CCOCC3)C[NH2+]C[C@H]2C1 ZINC001553364217 923964744 /nfs/dbraw/zinc/96/47/44/923964744.db2.gz XKRSYRSFRROFHP-WCQYABFASA-N 2 1 253.346 -0.614 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@H]3CCCCNC3=O)C[NH2+]C[C@@H]2C1 ZINC001553385189 923968506 /nfs/dbraw/zinc/96/85/06/923968506.db2.gz JZJKTJJWXYNCBB-XUJVJEKNSA-N 2 1 294.399 -0.687 20 0 CBADMP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)CCO1 ZINC001553378594 923969187 /nfs/dbraw/zinc/96/91/87/923969187.db2.gz VHDXSVWVWHGTOU-MBNYWOFBSA-N 2 1 267.373 -0.225 20 0 CBADMP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)CCO1 ZINC001553378594 923969197 /nfs/dbraw/zinc/96/91/97/923969197.db2.gz VHDXSVWVWHGTOU-MBNYWOFBSA-N 2 1 267.373 -0.225 20 0 CBADMP CN(C)C(=O)CN(C)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553375818 923969943 /nfs/dbraw/zinc/96/99/43/923969943.db2.gz YMWXDCJAWLYGCQ-BXUZGUMPSA-N 2 1 282.388 -0.926 20 0 CBADMP CN(C)C(=O)CN(C)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553375818 923969954 /nfs/dbraw/zinc/96/99/54/923969954.db2.gz YMWXDCJAWLYGCQ-BXUZGUMPSA-N 2 1 282.388 -0.926 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@@H]1C ZINC001553404483 923977130 /nfs/dbraw/zinc/97/71/30/923977130.db2.gz AIUPMPYYENGINB-HPCHECBXSA-N 2 1 297.399 -0.581 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@@H]1C ZINC001553404483 923977136 /nfs/dbraw/zinc/97/71/36/923977136.db2.gz AIUPMPYYENGINB-HPCHECBXSA-N 2 1 297.399 -0.581 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553410685 923983833 /nfs/dbraw/zinc/98/38/33/923983833.db2.gz QRDAKJOWCQMRBL-NOOOWODRSA-N 2 1 253.346 -0.426 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553413075 923986465 /nfs/dbraw/zinc/98/64/65/923986465.db2.gz PTNPAJSSSWWSAB-WOPDTQHZSA-N 2 1 264.329 -0.173 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553414633 923991447 /nfs/dbraw/zinc/99/14/47/923991447.db2.gz RHEYGSXVOIJATK-POQQGIQPSA-N 2 1 295.383 -0.515 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC[N@H+]1C ZINC001553429286 923996352 /nfs/dbraw/zinc/99/63/52/923996352.db2.gz JYVXALIUESVIDK-JCIQBVFBSA-N 2 1 253.346 -0.285 20 0 CBADMP C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)[C@@H]1C[N@@H+](C)CCN1C ZINC001553430921 923998220 /nfs/dbraw/zinc/99/82/20/923998220.db2.gz WTKZTXZQTHYTIW-NDKCEZKHSA-N 2 1 296.415 -0.744 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC001553448810 924001823 /nfs/dbraw/zinc/00/18/23/924001823.db2.gz KUVOVNYRINKLSJ-NFAWXSAZSA-N 2 1 295.431 -0.327 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001553446850 924002550 /nfs/dbraw/zinc/00/25/50/924002550.db2.gz DWENTGSMKVTKJY-OUCADQQQSA-N 2 1 281.404 -0.635 20 0 CBADMP O=C(NC1CC[NH2+]CC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553489345 924007062 /nfs/dbraw/zinc/00/70/62/924007062.db2.gz DMNPNBBEZRKCLR-UONOGXRCSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553492830 924010714 /nfs/dbraw/zinc/01/07/14/924010714.db2.gz APLMOFXIZGWLCZ-MGPQQGTHSA-N 2 1 296.415 -0.164 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553494300 924011013 /nfs/dbraw/zinc/01/10/13/924011013.db2.gz DXEOZTGXVKTVJD-UPJWGTAASA-N 2 1 284.404 -0.178 20 0 CBADMP O=C(N[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553499090 924012259 /nfs/dbraw/zinc/01/22/59/924012259.db2.gz YENKTIIHVSXNNC-MGPQQGTHSA-N 2 1 296.415 -0.021 20 0 CBADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001553500774 924012912 /nfs/dbraw/zinc/01/29/12/924012912.db2.gz GZSACTSGUOPQSM-WUHRBBMRSA-N 2 1 284.404 -0.037 20 0 CBADMP C[C@H](C[NH3+])NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553496686 924013850 /nfs/dbraw/zinc/01/38/50/924013850.db2.gz MODAKECWTQDDSM-BNOWGMLFSA-N 3 1 295.431 -0.056 20 0 CBADMP C[C@H](C[NH3+])NC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001553496686 924013866 /nfs/dbraw/zinc/01/38/66/924013866.db2.gz MODAKECWTQDDSM-BNOWGMLFSA-N 2 1 295.431 -0.056 20 0 CBADMP O=C(N[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553499089 924014021 /nfs/dbraw/zinc/01/40/21/924014021.db2.gz YENKTIIHVSXNNC-MCIONIFRSA-N 2 1 296.415 -0.021 20 0 CBADMP N[C@H]1CN(C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C[C@H]1[NH3+] ZINC001553523479 924022560 /nfs/dbraw/zinc/02/25/60/924022560.db2.gz FEAGUSXISZKUJF-NTZNESFSSA-N 2 1 267.377 -0.705 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3C[NH2+]C[C@@H]3F)C2)CC1 ZINC001553543856 924027566 /nfs/dbraw/zinc/02/75/66/924027566.db2.gz OUHHFCHSVMBULD-AGIUHOORSA-N 2 1 299.394 -0.672 20 0 CBADMP C[N@H+](CCOCCO)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000337498527 214120640 /nfs/dbraw/zinc/12/06/40/214120640.db2.gz TWIJMBPYRGPTLZ-UHFFFAOYSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+](CCOCCO)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000337498527 214120642 /nfs/dbraw/zinc/12/06/42/214120642.db2.gz TWIJMBPYRGPTLZ-UHFFFAOYSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237184780 282193542 /nfs/dbraw/zinc/19/35/42/282193542.db2.gz YUCDMOMAEHKMAT-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC(=O)NC(N)=O ZINC000441259805 282215123 /nfs/dbraw/zinc/21/51/23/282215123.db2.gz MCEDVZAQMWCUFP-UTUOFQBUSA-N 2 1 298.387 -0.245 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351541625 219120790 /nfs/dbraw/zinc/12/07/90/219120790.db2.gz XDFKWAFIEWZTIG-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351543554 219121104 /nfs/dbraw/zinc/12/11/04/219121104.db2.gz SJRICGVBGCGZAQ-GFCCVEGCSA-N 2 1 293.371 -0.434 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351541626 219121510 /nfs/dbraw/zinc/12/15/10/219121510.db2.gz XDFKWAFIEWZTIG-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000351553048 219124175 /nfs/dbraw/zinc/12/41/75/219124175.db2.gz CVLNMGYXGAAUHU-XQQFMLRXSA-N 2 1 294.399 -0.402 20 0 CBADMP CC[N@@H+](CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C(C)C ZINC000351556928 219126063 /nfs/dbraw/zinc/12/60/63/219126063.db2.gz OWCWXYKRVOPBON-LBPRGKRZSA-N 2 1 284.404 -0.299 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351560843 219126849 /nfs/dbraw/zinc/12/68/49/219126849.db2.gz XIHMATZYRWXMAC-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)C1 ZINC000351584827 219136210 /nfs/dbraw/zinc/13/62/10/219136210.db2.gz XEWRCDDSMWMKQE-KCQAQPDRSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)[C@@H](C)C1 ZINC000351584827 219136212 /nfs/dbraw/zinc/13/62/12/219136212.db2.gz XEWRCDDSMWMKQE-KCQAQPDRSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)[C@@H](C)C1 ZINC000351584827 219136215 /nfs/dbraw/zinc/13/62/15/219136215.db2.gz XEWRCDDSMWMKQE-KCQAQPDRSA-N 2 1 285.432 -0.172 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](CO)C1CCOCC1)C1CC1 ZINC000351607729 219143780 /nfs/dbraw/zinc/14/37/80/219143780.db2.gz XLMVXZUPJQNYTN-UONOGXRCSA-N 2 1 272.389 -0.181 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CO)C1CCOCC1)C1CC1 ZINC000351607729 219143781 /nfs/dbraw/zinc/14/37/81/219143781.db2.gz XLMVXZUPJQNYTN-UONOGXRCSA-N 2 1 272.389 -0.181 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000338236292 530066891 /nfs/dbraw/zinc/06/68/91/530066891.db2.gz MRXXVESZVHLEMA-LBPRGKRZSA-N 2 1 255.362 -0.393 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](O)C2)CC1 ZINC000338236292 530066892 /nfs/dbraw/zinc/06/68/92/530066892.db2.gz MRXXVESZVHLEMA-LBPRGKRZSA-N 2 1 255.362 -0.393 20 0 CBADMP C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000367148952 530050409 /nfs/dbraw/zinc/05/04/09/530050409.db2.gz OUKQXCSPNCODNJ-ZDUSSCGKSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000338301268 530067081 /nfs/dbraw/zinc/06/70/81/530067081.db2.gz FXVZIWAITWGGAQ-MJBXVCDLSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000338301268 530067082 /nfs/dbraw/zinc/06/70/82/530067082.db2.gz FXVZIWAITWGGAQ-MJBXVCDLSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C2(CO)CCOCC2)CC1 ZINC000330420959 530067722 /nfs/dbraw/zinc/06/77/22/530067722.db2.gz AGGJAQRORATPBZ-UHFFFAOYSA-N 2 1 285.388 -0.718 20 0 CBADMP C[C@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CC[NH+]1CCO ZINC000351611699 219146643 /nfs/dbraw/zinc/14/66/43/219146643.db2.gz RWZRFTTVWOWOTD-JSGCOSHPSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CC[N@@H+]1CCO ZINC000351611699 219146645 /nfs/dbraw/zinc/14/66/45/219146645.db2.gz RWZRFTTVWOWOTD-JSGCOSHPSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CC[N@H+]1CCO ZINC000351611699 219146647 /nfs/dbraw/zinc/14/66/47/219146647.db2.gz RWZRFTTVWOWOTD-JSGCOSHPSA-N 2 1 271.405 -0.560 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)[C@H](O)C2)CC1 ZINC000351776035 219202915 /nfs/dbraw/zinc/20/29/15/219202915.db2.gz XNUKRIZNZYVONO-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](C)C2)C1 ZINC000351878500 219234981 /nfs/dbraw/zinc/23/49/81/219234981.db2.gz PHSSAYALIUKZTF-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](C)C2)C1 ZINC000351878500 219234983 /nfs/dbraw/zinc/23/49/83/219234983.db2.gz PHSSAYALIUKZTF-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000351878500 219234984 /nfs/dbraw/zinc/23/49/84/219234984.db2.gz PHSSAYALIUKZTF-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000351878500 219234986 /nfs/dbraw/zinc/23/49/86/219234986.db2.gz PHSSAYALIUKZTF-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000352023962 219292276 /nfs/dbraw/zinc/29/22/76/219292276.db2.gz BVTIZAPZEFGLHS-MCIONIFRSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000352023962 219292277 /nfs/dbraw/zinc/29/22/77/219292277.db2.gz BVTIZAPZEFGLHS-MCIONIFRSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000352023962 219292279 /nfs/dbraw/zinc/29/22/79/219292279.db2.gz BVTIZAPZEFGLHS-MCIONIFRSA-N 2 1 280.416 -0.073 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000339635882 215281072 /nfs/dbraw/zinc/28/10/72/215281072.db2.gz DWBITSOISSUOEM-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP COCC[N@H+](C)CCNC(=O)c1csc(C[NH3+])n1 ZINC000090931788 180065682 /nfs/dbraw/zinc/06/56/82/180065682.db2.gz VSOWRKKHFOXHDS-UHFFFAOYSA-N 2 1 272.374 -0.090 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)c1csc(C[NH3+])n1 ZINC000090931788 180065683 /nfs/dbraw/zinc/06/56/83/180065683.db2.gz VSOWRKKHFOXHDS-UHFFFAOYSA-N 2 1 272.374 -0.090 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091549059 180188135 /nfs/dbraw/zinc/18/81/35/180188135.db2.gz VUWQCCQOASCCPT-STQMWFEESA-N 2 1 268.405 -0.133 20 0 CBADMP O=C(C[NH2+]CC1CC1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000091668197 180223906 /nfs/dbraw/zinc/22/39/06/180223906.db2.gz MDRUUKSDCNKWIS-STQMWFEESA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CSC[NH2+]1 ZINC000091668354 180224179 /nfs/dbraw/zinc/22/41/79/180224179.db2.gz MSORSRHWEHLVFB-AXFHLTTASA-N 2 1 271.386 -0.372 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CSC[NH2+]1 ZINC000091668354 180224182 /nfs/dbraw/zinc/22/41/82/180224182.db2.gz MSORSRHWEHLVFB-AXFHLTTASA-N 2 1 271.386 -0.372 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000352152976 219340080 /nfs/dbraw/zinc/34/00/80/219340080.db2.gz KHJCJAZETPRRFM-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000352152976 219340082 /nfs/dbraw/zinc/34/00/82/219340082.db2.gz KHJCJAZETPRRFM-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000352152976 219340086 /nfs/dbraw/zinc/34/00/86/219340086.db2.gz KHJCJAZETPRRFM-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000352152976 219340087 /nfs/dbraw/zinc/34/00/87/219340087.db2.gz KHJCJAZETPRRFM-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000106403126 186114008 /nfs/dbraw/zinc/11/40/08/186114008.db2.gz JDOHHJVCPZDJHU-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000106403126 186114009 /nfs/dbraw/zinc/11/40/09/186114009.db2.gz JDOHHJVCPZDJHU-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000106403128 186114127 /nfs/dbraw/zinc/11/41/27/186114127.db2.gz JDOHHJVCPZDJHU-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000106403128 186114129 /nfs/dbraw/zinc/11/41/29/186114129.db2.gz JDOHHJVCPZDJHU-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP [NH3+]CCN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000037039717 351396412 /nfs/dbraw/zinc/39/64/12/351396412.db2.gz GANPZXIDGIWYRF-UHFFFAOYSA-N 2 1 254.378 -0.425 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000037628827 351401148 /nfs/dbraw/zinc/40/11/48/351401148.db2.gz BARXXCGSVUAMBA-ZDUSSCGKSA-N 2 1 290.367 -0.548 20 0 CBADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000037626668 351401415 /nfs/dbraw/zinc/40/14/15/351401415.db2.gz YMSHIURYPLJNBW-UWVGGRQHSA-N 2 1 258.366 -0.718 20 0 CBADMP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000047718892 351463833 /nfs/dbraw/zinc/46/38/33/351463833.db2.gz JANJOMXAULWVAP-GFCCVEGCSA-N 2 1 255.362 -0.271 20 0 CBADMP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000047718891 351464460 /nfs/dbraw/zinc/46/44/60/351464460.db2.gz JANJOMXAULWVAP-LBPRGKRZSA-N 2 1 255.362 -0.271 20 0 CBADMP CN1CC[NH+](CCCNC(=O)C[NH2+]CC2CC2)CC1 ZINC000040808867 351419766 /nfs/dbraw/zinc/41/97/66/351419766.db2.gz ITYGMKHFYBAJRQ-UHFFFAOYSA-N 2 1 268.405 -0.260 20 0 CBADMP NC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298872 351526883 /nfs/dbraw/zinc/52/68/83/351526883.db2.gz ODVLZBHPLZNDSN-NSHDSACASA-N 2 1 268.361 -0.852 20 0 CBADMP CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180345 351580662 /nfs/dbraw/zinc/58/06/62/351580662.db2.gz YAQGEFUHESKOGI-STQMWFEESA-N 2 1 298.431 -0.066 20 0 CBADMP [NH3+]CC[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000070170986 351635435 /nfs/dbraw/zinc/63/54/35/351635435.db2.gz SXPNOGVGBVAMGH-SNVBAGLBSA-N 2 1 254.334 -0.401 20 0 CBADMP Cn1c(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc(=O)n(C)c1=O ZINC000070170906 351635566 /nfs/dbraw/zinc/63/55/66/351635566.db2.gz ZYLHBGZWVGGJPJ-LLVKDONJSA-N 2 1 280.372 -0.355 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000070149811 351635849 /nfs/dbraw/zinc/63/58/49/351635849.db2.gz MYLXHNYFDBZBSA-CQSZACIVSA-N 2 1 296.415 -0.120 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000070149811 351635852 /nfs/dbraw/zinc/63/58/52/351635852.db2.gz MYLXHNYFDBZBSA-CQSZACIVSA-N 2 1 296.415 -0.120 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000070174641 351636030 /nfs/dbraw/zinc/63/60/30/351636030.db2.gz AIFNRFYWCUKROI-WDEREUQCSA-N 2 1 280.372 -0.357 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000070174641 351636033 /nfs/dbraw/zinc/63/60/33/351636033.db2.gz AIFNRFYWCUKROI-WDEREUQCSA-N 2 1 280.372 -0.357 20 0 CBADMP CCCCNC(=O)NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150362 351643157 /nfs/dbraw/zinc/64/31/57/351643157.db2.gz VJFHHBCXEXZTNN-UHFFFAOYSA-N 2 1 299.419 -0.551 20 0 CBADMP CCCCNC(=O)NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150362 351643159 /nfs/dbraw/zinc/64/31/59/351643159.db2.gz VJFHHBCXEXZTNN-UHFFFAOYSA-N 2 1 299.419 -0.551 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CCOC)CC2)C1 ZINC000073075571 351652901 /nfs/dbraw/zinc/65/29/01/351652901.db2.gz DAJXUSUVOSALBM-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CCOC)CC2)C1 ZINC000073075571 351652904 /nfs/dbraw/zinc/65/29/04/351652904.db2.gz DAJXUSUVOSALBM-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](CCOC)CC2)C1 ZINC000073075571 351652906 /nfs/dbraw/zinc/65/29/06/351652906.db2.gz DAJXUSUVOSALBM-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](CCOC)CC2)C1 ZINC000073075571 351652909 /nfs/dbraw/zinc/65/29/09/351652909.db2.gz DAJXUSUVOSALBM-CQSZACIVSA-N 2 1 299.415 -0.112 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000068603857 351621275 /nfs/dbraw/zinc/62/12/75/351621275.db2.gz SUJAVFVCDOTACY-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000068603857 351621277 /nfs/dbraw/zinc/62/12/77/351621277.db2.gz SUJAVFVCDOTACY-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000068807460 351622616 /nfs/dbraw/zinc/62/26/16/351622616.db2.gz GQXHIRJALSLZBH-WOPDTQHZSA-N 2 1 256.394 -0.278 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000081231012 351703209 /nfs/dbraw/zinc/70/32/09/351703209.db2.gz WLHGNXXVRRZKAQ-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000081231012 351703210 /nfs/dbraw/zinc/70/32/10/351703210.db2.gz WLHGNXXVRRZKAQ-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000081270842 351704071 /nfs/dbraw/zinc/70/40/71/351704071.db2.gz LCHDSLJSNICPSH-NWDGAFQWSA-N 2 1 255.362 -0.227 20 0 CBADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000081270842 351704073 /nfs/dbraw/zinc/70/40/73/351704073.db2.gz LCHDSLJSNICPSH-NWDGAFQWSA-N 2 1 255.362 -0.227 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[NH+](CCO)CCO)CC1 ZINC000075714037 351670380 /nfs/dbraw/zinc/67/03/80/351670380.db2.gz GLCKRBSQLAVCKF-UHFFFAOYSA-N 2 1 287.404 -0.738 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)C[NH+]1CCCC1 ZINC000088372338 351725088 /nfs/dbraw/zinc/72/50/88/351725088.db2.gz BZLXVNGTPLDGRK-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[NH2+]CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000092510741 351750236 /nfs/dbraw/zinc/75/02/36/351750236.db2.gz PVWUTDIOXWLWKL-VXGBXAGGSA-N 2 1 271.361 -0.798 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000082258034 351711072 /nfs/dbraw/zinc/71/10/72/351711072.db2.gz HLNOHLHYGMOBLK-ZDUSSCGKSA-N 2 1 268.405 -0.118 20 0 CBADMP CC[NH+](CC)CCNC(=O)CN1CC[NH+](C)CC1 ZINC000109941043 351798103 /nfs/dbraw/zinc/79/81/03/351798103.db2.gz IXPREQNDEXABBL-UHFFFAOYSA-N 2 1 256.394 -0.308 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000092951136 351754714 /nfs/dbraw/zinc/75/47/14/351754714.db2.gz SNYBGLUEILWXJS-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000092951137 351755028 /nfs/dbraw/zinc/75/50/28/351755028.db2.gz SNYBGLUEILWXJS-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[N@H+]3CCC[C@@H]3C2)O1 ZINC000094568411 351764588 /nfs/dbraw/zinc/76/45/88/351764588.db2.gz IUGLCJPUDZWLLM-UTUOFQBUSA-N 2 1 253.346 -0.201 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000111597173 351803268 /nfs/dbraw/zinc/80/32/68/351803268.db2.gz YLVVPUCYIHYDJB-CQSZACIVSA-N 2 1 280.416 -0.070 20 0 CBADMP COC(=O)CNC(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477378 351816758 /nfs/dbraw/zinc/81/67/58/351816758.db2.gz MVMVNWSRVCACPY-LLVKDONJSA-N 2 1 271.361 -0.451 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000129160674 351869042 /nfs/dbraw/zinc/86/90/42/351869042.db2.gz FVIICLXABILVBN-GHMZBOCLSA-N 2 1 253.346 -0.282 20 0 CBADMP CC[N@@H+](CCCC1CC[NH+](CC(N)=O)CC1)CC(N)=O ZINC000154693979 351947284 /nfs/dbraw/zinc/94/72/84/351947284.db2.gz PCFZUMZCXDAVIX-UHFFFAOYSA-N 2 1 284.404 -0.229 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000137301637 351922016 /nfs/dbraw/zinc/92/20/16/351922016.db2.gz FLNQJLSQPNKNFB-ZDUSSCGKSA-N 2 1 268.405 -0.133 20 0 CBADMP CC[N@@H+](CC(=O)NC[C@@](C)(O)C[NH+](C)C)C1CC1 ZINC000152981817 351941645 /nfs/dbraw/zinc/94/16/45/351941645.db2.gz LEMBOAOXEFEPBS-CYBMUJFWSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+](CC(=O)NC[C@](C)(O)C[NH+](C)C)C1CC1 ZINC000152981700 351942004 /nfs/dbraw/zinc/94/20/04/351942004.db2.gz LEMBOAOXEFEPBS-ZDUSSCGKSA-N 2 1 257.378 -0.101 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])CCSC ZINC000131183671 351883805 /nfs/dbraw/zinc/88/38/05/351883805.db2.gz LEMYQRMSDNPJAV-SNVBAGLBSA-N 2 1 263.407 -0.239 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000131786487 351889050 /nfs/dbraw/zinc/88/90/50/351889050.db2.gz KRFJAVGCYZBZPR-ZJUUUORDSA-N 2 1 266.345 -0.747 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000131786487 351889056 /nfs/dbraw/zinc/88/90/56/351889056.db2.gz KRFJAVGCYZBZPR-ZJUUUORDSA-N 2 1 266.345 -0.747 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[NH+](C)C)CC1 ZINC000133651618 351901255 /nfs/dbraw/zinc/90/12/55/351901255.db2.gz BLCVLCUPIBWNDZ-UHFFFAOYSA-N 2 1 299.419 -0.600 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163255441 351980413 /nfs/dbraw/zinc/98/04/13/351980413.db2.gz BWIPHUWKKZNONQ-UTLUCORTSA-N 2 1 256.350 -0.110 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163255441 351980418 /nfs/dbraw/zinc/98/04/18/351980418.db2.gz BWIPHUWKKZNONQ-UTLUCORTSA-N 2 1 256.350 -0.110 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000168032788 351991600 /nfs/dbraw/zinc/99/16/00/351991600.db2.gz NVMDNHGASOHATL-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000168032788 351991605 /nfs/dbraw/zinc/99/16/05/351991605.db2.gz NVMDNHGASOHATL-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP COC1(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC[NH2+]CC1 ZINC000167991105 351991681 /nfs/dbraw/zinc/99/16/81/351991681.db2.gz QVCVCKYUMKEMMM-QWHCGFSZSA-N 2 1 299.415 -0.332 20 0 CBADMP COC1(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC[NH2+]CC1 ZINC000167991105 351991684 /nfs/dbraw/zinc/99/16/84/351991684.db2.gz QVCVCKYUMKEMMM-QWHCGFSZSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1CC ZINC000168088366 351992146 /nfs/dbraw/zinc/99/21/46/351992146.db2.gz WKXNDAGQKPXGOR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1CC ZINC000168088366 351992148 /nfs/dbraw/zinc/99/21/48/351992148.db2.gz WKXNDAGQKPXGOR-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000168942132 351996183 /nfs/dbraw/zinc/99/61/83/351996183.db2.gz QTNNCASXRBTBPJ-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP [NH3+]CCCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186704166 352130161 /nfs/dbraw/zinc/13/01/61/352130161.db2.gz CIHOUBULQOHQFE-LLVKDONJSA-N 2 1 268.361 -0.852 20 0 CBADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186666041 352130350 /nfs/dbraw/zinc/13/03/50/352130350.db2.gz GBQPCOZYTJGAPU-OBJOEFQTSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000186745516 352131628 /nfs/dbraw/zinc/13/16/28/352131628.db2.gz JNXYHLRRKWLJGX-TUAOUCFPSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000186745516 352131631 /nfs/dbraw/zinc/13/16/31/352131631.db2.gz JNXYHLRRKWLJGX-TUAOUCFPSA-N 2 1 255.362 -0.179 20 0 CBADMP C[N@H+]1CCCC[C@H]1CN1CCN([C@@H]2CCNC2=O)CC1 ZINC000178201164 352077852 /nfs/dbraw/zinc/07/78/52/352077852.db2.gz QLBSIMUOBZSIIG-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000178700389 352081735 /nfs/dbraw/zinc/08/17/35/352081735.db2.gz DITGFYOCWMXGIU-JTQLQIEISA-N 2 1 256.350 -0.996 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000178700592 352081775 /nfs/dbraw/zinc/08/17/75/352081775.db2.gz IZTJKDKZCXQGIA-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000178816009 352084001 /nfs/dbraw/zinc/08/40/01/352084001.db2.gz OSZVBGURYGBIQJ-SRVKXCTJSA-N 2 1 255.362 -0.084 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000178759138 352084036 /nfs/dbraw/zinc/08/40/36/352084036.db2.gz DNHAQCFRFNXXFG-CYBMUJFWSA-N 2 1 268.405 -0.118 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C[NH3+])CC2)C1 ZINC000178885322 352085442 /nfs/dbraw/zinc/08/54/42/352085442.db2.gz STJWBWBNUQRMTG-CYBMUJFWSA-N 2 1 284.404 -0.802 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H](C)[NH3+])CC2)C1 ZINC000178884912 352085672 /nfs/dbraw/zinc/08/56/72/352085672.db2.gz GJXXJFRDJGHJCD-ZIAGYGMSSA-N 2 1 298.431 -0.413 20 0 CBADMP C[NH2+]CC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000178884871 352085969 /nfs/dbraw/zinc/08/59/69/352085969.db2.gz UHJYOLPKOIFXLH-AWEZNQCLSA-N 2 1 298.431 -0.541 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]C)C2)C1 ZINC000179001539 352087131 /nfs/dbraw/zinc/08/71/31/352087131.db2.gz QIRPRQSHMTXUPQ-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]C)C2)C1 ZINC000179001539 352087132 /nfs/dbraw/zinc/08/71/32/352087132.db2.gz QIRPRQSHMTXUPQ-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)Cn1cccn1 ZINC000179283000 352089071 /nfs/dbraw/zinc/08/90/71/352089071.db2.gz MPGKDLVKGRRRPA-OAHLLOKOSA-N 2 1 295.431 -0.187 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000188396244 352151766 /nfs/dbraw/zinc/15/17/66/352151766.db2.gz JYXCSXRRRRNUCI-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[NH+](C/C=C/C[N@H+](CC)CC(N)=O)CC(N)=O ZINC000191698594 352191974 /nfs/dbraw/zinc/19/19/74/352191974.db2.gz FQRIMGCFMWJQPN-AATRIKPKSA-N 2 1 256.350 -0.843 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000187606170 352140094 /nfs/dbraw/zinc/14/00/94/352140094.db2.gz YXHOOQKMTUCHRF-UHFFFAOYSA-N 2 1 282.388 -0.462 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188166109 352148387 /nfs/dbraw/zinc/14/83/87/352148387.db2.gz BAADUSHXIMYTGO-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000219038724 352236900 /nfs/dbraw/zinc/23/69/00/352236900.db2.gz KBZDCNQWUMGTRV-ZDUSSCGKSA-N 2 1 286.420 -0.066 20 0 CBADMP CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221175230 352239636 /nfs/dbraw/zinc/23/96/36/352239636.db2.gz PUKHPARKHVWSTI-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221174261 352240312 /nfs/dbraw/zinc/24/03/12/352240312.db2.gz FFUNUVBLCCJMAZ-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[NH2+]CC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000193139255 352203632 /nfs/dbraw/zinc/20/36/32/352203632.db2.gz SOCNPYBRXBUPHI-UONOGXRCSA-N 2 1 277.368 -0.043 20 0 CBADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000195164353 352222717 /nfs/dbraw/zinc/22/27/17/352222717.db2.gz FEWMYAMUQXOOAB-LBPRGKRZSA-N 2 1 282.388 -0.687 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000227128208 352255281 /nfs/dbraw/zinc/25/52/81/352255281.db2.gz MFVXOXYAGAOFKL-NWDGAFQWSA-N 2 1 253.346 -0.329 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000227130477 352255352 /nfs/dbraw/zinc/25/53/52/352255352.db2.gz FVIICLXABILVBN-QWRGUYRKSA-N 2 1 253.346 -0.282 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000227130470 352255790 /nfs/dbraw/zinc/25/57/90/352255790.db2.gz FVIICLXABILVBN-MNOVXSKESA-N 2 1 253.346 -0.282 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000227374121 352257659 /nfs/dbraw/zinc/25/76/59/352257659.db2.gz NHRWJBWLWUZBIU-QWHCGFSZSA-N 2 1 287.404 -0.177 20 0 CBADMP CO[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000230333551 352273222 /nfs/dbraw/zinc/27/32/22/352273222.db2.gz RNWNQHOGVRWTMT-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000225354124 352247816 /nfs/dbraw/zinc/24/78/16/352247816.db2.gz WQDYSXUFEVUGMA-LBPRGKRZSA-N 2 1 254.378 -0.510 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000236778137 352293904 /nfs/dbraw/zinc/29/39/04/352293904.db2.gz FKLLQZSSEGHXMB-STQMWFEESA-N 2 1 285.388 -0.552 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2C[NH2+]C2)CC1=O ZINC000236839025 352295300 /nfs/dbraw/zinc/29/53/00/352295300.db2.gz YATMAJNLNVLDPX-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000236845950 352295472 /nfs/dbraw/zinc/29/54/72/352295472.db2.gz LYRGUNUVEZQXHV-CYBMUJFWSA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C[NH3+])c2)CC1 ZINC000237135313 352299860 /nfs/dbraw/zinc/29/98/60/352299860.db2.gz JCNOXAAOSVASIN-UHFFFAOYSA-N 2 1 290.367 -0.100 20 0 CBADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2COCC[NH2+]2)C[C@@H](C)O1 ZINC000237502753 352306506 /nfs/dbraw/zinc/30/65/06/352306506.db2.gz ZJENAGSTGLUPDH-MGPQQGTHSA-N 2 1 299.415 -0.020 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000245469709 352321942 /nfs/dbraw/zinc/32/19/42/352321942.db2.gz VLTGYXQPAWGRJC-STQMWFEESA-N 2 1 283.372 -0.704 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000245469709 352321946 /nfs/dbraw/zinc/32/19/46/352321946.db2.gz VLTGYXQPAWGRJC-STQMWFEESA-N 2 1 283.372 -0.704 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000246264148 352330115 /nfs/dbraw/zinc/33/01/15/352330115.db2.gz LHZALZKEIHCTDT-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000246264148 352330119 /nfs/dbraw/zinc/33/01/19/352330119.db2.gz LHZALZKEIHCTDT-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000249118502 352360717 /nfs/dbraw/zinc/36/07/17/352360717.db2.gz GBQPCOZYTJGAPU-OUCADQQQSA-N 2 1 296.415 -0.217 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000250418938 352372202 /nfs/dbraw/zinc/37/22/02/352372202.db2.gz YSGBRRRCNODYAZ-ZIAGYGMSSA-N 2 1 270.421 -0.722 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CCC[NH2+]1 ZINC000252552056 352378350 /nfs/dbraw/zinc/37/83/50/352378350.db2.gz PZKHANZTGZKQJC-SRVKXCTJSA-N 2 1 253.346 -0.282 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000252580374 352378573 /nfs/dbraw/zinc/37/85/73/352378573.db2.gz QBFASUNBUKHKGP-IJLUTSLNSA-N 2 1 255.362 -0.348 20 0 CBADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252700052 352379162 /nfs/dbraw/zinc/37/91/62/352379162.db2.gz XSPOSFUYJFJYFN-NXEZZACHSA-N 2 1 256.350 -0.109 20 0 CBADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252700052 352379166 /nfs/dbraw/zinc/37/91/66/352379166.db2.gz XSPOSFUYJFJYFN-NXEZZACHSA-N 2 1 256.350 -0.109 20 0 CBADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000252742656 352379582 /nfs/dbraw/zinc/37/95/82/352379582.db2.gz NLJMYTCCIUDHNN-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000252742656 352379585 /nfs/dbraw/zinc/37/95/85/352379585.db2.gz NLJMYTCCIUDHNN-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261920275 352400535 /nfs/dbraw/zinc/40/05/35/352400535.db2.gz YPEZCFAIORYEFU-JQWIXIFHSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261920275 352400539 /nfs/dbraw/zinc/40/05/39/352400539.db2.gz YPEZCFAIORYEFU-JQWIXIFHSA-N 2 1 255.362 -0.097 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261564299 352387913 /nfs/dbraw/zinc/38/79/13/352387913.db2.gz HEOGDLUAIKRJMX-ZJUUUORDSA-N 2 1 254.334 -0.627 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261564299 352387918 /nfs/dbraw/zinc/38/79/18/352387918.db2.gz HEOGDLUAIKRJMX-ZJUUUORDSA-N 2 1 254.334 -0.627 20 0 CBADMP COC[C@]1(C(=O)NC[C@H]2CCC[N@H+]2C)CC[NH2+]C1 ZINC000261578426 352388606 /nfs/dbraw/zinc/38/86/06/352388606.db2.gz OYQGWQSQMGHTOE-YPMHNXCESA-N 2 1 255.362 -0.177 20 0 CBADMP COC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH2+]C1 ZINC000261578425 352389048 /nfs/dbraw/zinc/38/90/48/352389048.db2.gz OYQGWQSQMGHTOE-WCQYABFASA-N 2 1 255.362 -0.177 20 0 CBADMP COC[C@@]1(C(=O)NC[C@H]2CCC[N@H+]2C)CC[NH2+]C1 ZINC000261578424 352389204 /nfs/dbraw/zinc/38/92/04/352389204.db2.gz OYQGWQSQMGHTOE-DGCLKSJQSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000261794069 352396504 /nfs/dbraw/zinc/39/65/04/352396504.db2.gz YCAJZNVFYBPJCK-HNNXBMFYSA-N 2 1 299.415 -0.207 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261821869 352397424 /nfs/dbraw/zinc/39/74/24/352397424.db2.gz HXOKCECGGLETIA-MNOVXSKESA-N 2 1 252.318 -0.186 20 0 CBADMP CCNC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000262147041 352408262 /nfs/dbraw/zinc/40/82/62/352408262.db2.gz QPZVEUZRRKDQHQ-LBPRGKRZSA-N 2 1 282.388 -0.734 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C[NH+]1CCOCC1 ZINC000262179190 352409328 /nfs/dbraw/zinc/40/93/28/352409328.db2.gz ZASASECDPQCEKW-UPJWGTAASA-N 2 1 285.388 -0.423 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H]1CCOC1 ZINC000262182139 352409486 /nfs/dbraw/zinc/40/94/86/352409486.db2.gz RCFRNBXQPSZIJC-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP COC[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000262275483 352413685 /nfs/dbraw/zinc/41/36/85/352413685.db2.gz YTXSQUHYKKKPDG-GFCCVEGCSA-N 2 1 271.361 -0.845 20 0 CBADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CNC(=O)C[NH3+])C1 ZINC000262436583 352421099 /nfs/dbraw/zinc/42/10/99/352421099.db2.gz TYXVWYYYQKTGPF-TXEJJXNPSA-N 2 1 298.431 -0.066 20 0 CBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262447445 352422222 /nfs/dbraw/zinc/42/22/22/352422222.db2.gz UHERHYBXYOENSU-UPJWGTAASA-N 2 1 269.389 -0.054 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[NH3+])CC1=O ZINC000262486628 352423053 /nfs/dbraw/zinc/42/30/53/352423053.db2.gz ZXHMQOBIGCVZNP-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP O=C(C[C@@H]1CCC[NH2+]CC1)N1CC[NH+](CCO)CC1 ZINC000262472447 352423379 /nfs/dbraw/zinc/42/33/79/352423379.db2.gz YMHFWUXJKGPFDS-CYBMUJFWSA-N 2 1 269.389 -0.097 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000262513945 352424634 /nfs/dbraw/zinc/42/46/34/352424634.db2.gz MPFABAJCRQHCAK-LPWJVIDDSA-N 2 1 269.389 -0.054 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H](C)C[NH3+])CC1=O ZINC000262545451 352425378 /nfs/dbraw/zinc/42/53/78/352425378.db2.gz UVXSUNUSQHYTGD-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[C@@](C)([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000262666720 352430392 /nfs/dbraw/zinc/43/03/92/352430392.db2.gz KONARVNQMBLXHW-CQSZACIVSA-N 2 1 284.404 -0.216 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000262672930 352430684 /nfs/dbraw/zinc/43/06/84/352430684.db2.gz PJBBCCDZSMRCHT-UHFFFAOYSA-N 2 1 255.362 -0.223 20 0 CBADMP C[NH2+]CCC1CC[NH+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000262022981 352404198 /nfs/dbraw/zinc/40/41/98/352404198.db2.gz YNORNFNSQMRFEF-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000269257513 352464930 /nfs/dbraw/zinc/46/49/30/352464930.db2.gz KMHBYHAWVXFVEA-VIFPVBQESA-N 2 1 253.350 -0.042 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000290036463 352671951 /nfs/dbraw/zinc/67/19/51/352671951.db2.gz SFDCQDNKMXINFW-ONGXEEELSA-N 2 1 254.334 -0.082 20 0 CBADMP C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C1=CC[N@@H+](C)CC1 ZINC000289555200 352664455 /nfs/dbraw/zinc/66/44/55/352664455.db2.gz IRRRASCJDQYWCB-LBPRGKRZSA-N 2 1 296.415 -0.227 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@]2(CC[NH+](C)C2)C1 ZINC000312734049 352776287 /nfs/dbraw/zinc/77/62/87/352776287.db2.gz TUJWTDRZRYZOOB-CABCVRRESA-N 2 1 285.432 -0.047 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000312734049 352776291 /nfs/dbraw/zinc/77/62/91/352776291.db2.gz TUJWTDRZRYZOOB-CABCVRRESA-N 2 1 285.432 -0.047 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000312734049 352776296 /nfs/dbraw/zinc/77/62/96/352776296.db2.gz TUJWTDRZRYZOOB-CABCVRRESA-N 2 1 285.432 -0.047 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000312734056 352776312 /nfs/dbraw/zinc/77/63/12/352776312.db2.gz TUJWTDRZRYZOOB-LSDHHAIUSA-N 2 1 285.432 -0.047 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000312734056 352776314 /nfs/dbraw/zinc/77/63/14/352776314.db2.gz TUJWTDRZRYZOOB-LSDHHAIUSA-N 2 1 285.432 -0.047 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000312734056 352776317 /nfs/dbraw/zinc/77/63/17/352776317.db2.gz TUJWTDRZRYZOOB-LSDHHAIUSA-N 2 1 285.432 -0.047 20 0 CBADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000310168023 352758359 /nfs/dbraw/zinc/75/83/59/352758359.db2.gz SHASFJHRMYKCOS-QWRGUYRKSA-N 2 1 263.407 -0.192 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000310168023 352758361 /nfs/dbraw/zinc/75/83/61/352758361.db2.gz SHASFJHRMYKCOS-QWRGUYRKSA-N 2 1 263.407 -0.192 20 0 CBADMP CO[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H]1OC ZINC000311052817 352764993 /nfs/dbraw/zinc/76/49/93/352764993.db2.gz ILYRPERWAZCTIH-RWMBFGLXSA-N 2 1 258.362 -0.213 20 0 CBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311426297 352768248 /nfs/dbraw/zinc/76/82/48/352768248.db2.gz BTHJWTDBVDLJGX-GWCFXTLKSA-N 2 1 268.361 -0.107 20 0 CBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311426297 352768250 /nfs/dbraw/zinc/76/82/50/352768250.db2.gz BTHJWTDBVDLJGX-GWCFXTLKSA-N 2 1 268.361 -0.107 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000311648861 352769305 /nfs/dbraw/zinc/76/93/05/352769305.db2.gz DKZIRXVEPCZDAT-GFCCVEGCSA-N 2 1 265.361 -0.261 20 0 CBADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCCC[C@@H]1O ZINC000328532909 352783796 /nfs/dbraw/zinc/78/37/96/352783796.db2.gz YPNMXLDKPBQFCD-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)[NH2+]1 ZINC000331378224 352910441 /nfs/dbraw/zinc/91/04/41/352910441.db2.gz HUPIOECCTTXLPZ-IJLUTSLNSA-N 2 1 294.399 -0.452 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)C1 ZINC000331389114 352910918 /nfs/dbraw/zinc/91/09/18/352910918.db2.gz AFRRAMWRQJGWEW-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000331390848 352911119 /nfs/dbraw/zinc/91/11/19/352911119.db2.gz MGDOFNUKSBUJBS-WZRBSPASSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000331390838 352911230 /nfs/dbraw/zinc/91/12/30/352911230.db2.gz MGDOFNUKSBUJBS-DMDPSCGWSA-N 2 1 294.399 -0.594 20 0 CBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000332092147 352934898 /nfs/dbraw/zinc/93/48/98/352934898.db2.gz BSQMQVNRZAVKMZ-XQQFMLRXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000331428434 352913959 /nfs/dbraw/zinc/91/39/59/352913959.db2.gz VNKLEOXSVJOLCF-TUAOUCFPSA-N 2 1 294.399 -0.323 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)[C@@H]2C1 ZINC000331515035 352920481 /nfs/dbraw/zinc/92/04/81/352920481.db2.gz MBOLVYSJCGFOCI-FRRDWIJNSA-N 2 1 294.399 -0.593 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH+](CC)CC2)C1 ZINC000331521929 352921683 /nfs/dbraw/zinc/92/16/83/352921683.db2.gz JUGMDFGSTABYOZ-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC[N@H+](CC)CC2)C1 ZINC000331521929 352921686 /nfs/dbraw/zinc/92/16/86/352921686.db2.gz JUGMDFGSTABYOZ-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC[N@@H+](CC)CC2)C1 ZINC000331521929 352921691 /nfs/dbraw/zinc/92/16/91/352921691.db2.gz JUGMDFGSTABYOZ-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH2+][C@@H](C)CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332701599 352977505 /nfs/dbraw/zinc/97/75/05/352977505.db2.gz VSFNAQCJECGPOX-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH2+][C@@H](C)CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332701599 352977507 /nfs/dbraw/zinc/97/75/07/352977507.db2.gz VSFNAQCJECGPOX-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332701602 352977543 /nfs/dbraw/zinc/97/75/43/352977543.db2.gz VSFNAQCJECGPOX-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332701602 352977545 /nfs/dbraw/zinc/97/75/45/352977545.db2.gz VSFNAQCJECGPOX-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332195749 352939184 /nfs/dbraw/zinc/93/91/84/352939184.db2.gz XUHPOEYRHKFOMC-RYUDHWBXSA-N 2 1 280.372 -0.839 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332195749 352939187 /nfs/dbraw/zinc/93/91/87/352939187.db2.gz XUHPOEYRHKFOMC-RYUDHWBXSA-N 2 1 280.372 -0.839 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332184617 352939372 /nfs/dbraw/zinc/93/93/72/352939372.db2.gz AMATUQYZNLVPST-QWHCGFSZSA-N 2 1 294.399 -0.497 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C[C@H]1[NH3+] ZINC000332263759 352941156 /nfs/dbraw/zinc/94/11/56/352941156.db2.gz UCSLYROOHNFELN-FVCCEPFGSA-N 2 1 294.399 -0.513 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000332328286 352945024 /nfs/dbraw/zinc/94/50/24/352945024.db2.gz NJPQSUFYGMMFLE-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332558543 352966012 /nfs/dbraw/zinc/96/60/12/352966012.db2.gz OTXXNJIJAZLICK-NEPJUHHUSA-N 2 1 280.372 -0.839 20 0 CBADMP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332577637 352968388 /nfs/dbraw/zinc/96/83/88/352968388.db2.gz ADLJBUVWWGIKGP-CHWSQXEVSA-N 2 1 294.399 -0.367 20 0 CBADMP C[C@@H]1CN(C(=O)NCC(F)(F)C[NH3+])[C@@H](C)C[NH2+]1 ZINC000335424359 353032551 /nfs/dbraw/zinc/03/25/51/353032551.db2.gz XVPXKECUJOFXAI-SFYZADRCSA-N 2 1 250.293 -0.028 20 0 CBADMP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC(F)(F)C[NH3+])C[C@@H]21 ZINC000335421910 353032588 /nfs/dbraw/zinc/03/25/88/353032588.db2.gz OQRKVTYRJQWDIV-BDAKNGLRSA-N 2 1 262.304 -0.074 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCC(F)(F)C[NH3+])C[C@@H]21 ZINC000335421910 353032590 /nfs/dbraw/zinc/03/25/90/353032590.db2.gz OQRKVTYRJQWDIV-BDAKNGLRSA-N 2 1 262.304 -0.074 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[N@H+]1C1CC1 ZINC000333136882 353000135 /nfs/dbraw/zinc/00/01/35/353000135.db2.gz CMBWOBWILPHKJS-AAXDQBDMSA-N 2 1 282.388 -0.414 20 0 CBADMP C[N@@H+](CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000333440249 353001634 /nfs/dbraw/zinc/00/16/34/353001634.db2.gz VYTFXDZHNNUHJG-AWEZNQCLSA-N 2 1 295.431 -0.230 20 0 CBADMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000333781667 353009810 /nfs/dbraw/zinc/00/98/10/353009810.db2.gz DUYQJYJZYMFTFH-WUHRBBMRSA-N 2 1 282.388 -0.698 20 0 CBADMP COCC[NH+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000333760255 353010145 /nfs/dbraw/zinc/01/01/45/353010145.db2.gz AIVRTVYTQJDDSU-GFCCVEGCSA-N 2 1 270.377 -0.288 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000333784471 353010775 /nfs/dbraw/zinc/01/07/75/353010775.db2.gz FDOYSXMFEABJJG-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)C[C@H](C)[N@@H+]1CCO ZINC000333830973 353011960 /nfs/dbraw/zinc/01/19/60/353011960.db2.gz MNPFHFINRHXXPP-FRRDWIJNSA-N 2 1 284.404 -0.165 20 0 CBADMP 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 353012012 /nfs/dbraw/zinc/01/20/12/353012012.db2.gz QEUVBYRMTUIUJR-LBELIVKGSA-N 2 1 282.388 -0.699 20 0 CBADMP O=C(NCC[N@@H+]1CC=CCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333826125 353012070 /nfs/dbraw/zinc/01/20/70/353012070.db2.gz LPUXXEOJQGKBGF-GDNZZTSVSA-N 2 1 250.346 -0.235 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCN1CC[NH2+]CC1 ZINC000333857891 353012557 /nfs/dbraw/zinc/01/25/57/353012557.db2.gz RJEUOUNQGHNSBZ-CQSZACIVSA-N 2 1 297.447 -0.125 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333909383 353013584 /nfs/dbraw/zinc/01/35/84/353013584.db2.gz DNWJBPVTBQQWEM-GFCCVEGCSA-N 2 1 297.403 -0.798 20 0 CBADMP O=C(NCCN1CC[NH2+]CC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000333940036 353014285 /nfs/dbraw/zinc/01/42/85/353014285.db2.gz NSXATRBPVQTAHZ-UONOGXRCSA-N 2 1 295.431 -0.182 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1CCC[NH+](C)C1 ZINC000336823716 353059900 /nfs/dbraw/zinc/05/99/00/353059900.db2.gz QXXVECNOCQFJCV-LSDHHAIUSA-N 2 1 285.432 -0.047 20 0 CBADMP C[NH+](C[C@@H](O)CN1CCOCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000336823716 353059902 /nfs/dbraw/zinc/05/99/02/353059902.db2.gz QXXVECNOCQFJCV-LSDHHAIUSA-N 2 1 285.432 -0.047 20 0 CBADMP C[NH+](C[C@@H](O)CN1CCOCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336823716 353059906 /nfs/dbraw/zinc/05/99/06/353059906.db2.gz QXXVECNOCQFJCV-LSDHHAIUSA-N 2 1 285.432 -0.047 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCN1CCOCC1 ZINC000336825157 353060351 /nfs/dbraw/zinc/06/03/51/353060351.db2.gz XHWXQBHBHVITAL-UHFFFAOYSA-N 2 1 284.448 -0.112 20 0 CBADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC000336833625 353062256 /nfs/dbraw/zinc/06/22/56/353062256.db2.gz OWNOXFDPHWVDJD-GJZGRUSLSA-N 2 1 283.416 -0.293 20 0 CBADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC000336833625 353062258 /nfs/dbraw/zinc/06/22/58/353062258.db2.gz OWNOXFDPHWVDJD-GJZGRUSLSA-N 2 1 283.416 -0.293 20 0 CBADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC000336833625 353062260 /nfs/dbraw/zinc/06/22/60/353062260.db2.gz OWNOXFDPHWVDJD-GJZGRUSLSA-N 2 1 283.416 -0.293 20 0 CBADMP CN(CC[N@@H+](C)CCN1CCNC1=O)C1CC[NH+](C)CC1 ZINC000336848284 353064369 /nfs/dbraw/zinc/06/43/69/353064369.db2.gz ITJUQEZHZBSTLB-UHFFFAOYSA-N 2 1 297.447 -0.031 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+](CCO)CC2CC2)CC1 ZINC000338237040 353091155 /nfs/dbraw/zinc/09/11/55/353091155.db2.gz PCBYJZDYUFYDPC-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCO)CC2CC2)CC1 ZINC000338237040 353091157 /nfs/dbraw/zinc/09/11/57/353091157.db2.gz PCBYJZDYUFYDPC-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(OCCO)CC2)CC1 ZINC000338272624 353092164 /nfs/dbraw/zinc/09/21/64/353092164.db2.gz DMSUNRZFSWCCNI-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000338284228 353093267 /nfs/dbraw/zinc/09/32/67/353093267.db2.gz YBRLNIKXOSZZGR-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000338284228 353093269 /nfs/dbraw/zinc/09/32/69/353093269.db2.gz YBRLNIKXOSZZGR-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000338287098 353093547 /nfs/dbraw/zinc/09/35/47/353093547.db2.gz WQYSPMOHPIECBL-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000338287098 353093550 /nfs/dbraw/zinc/09/35/50/353093550.db2.gz WQYSPMOHPIECBL-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC(O)C1 ZINC000338295672 353094280 /nfs/dbraw/zinc/09/42/80/353094280.db2.gz JQRRIOWTTYXTPP-UHFFFAOYSA-N 2 1 255.362 -0.394 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC(O)C1 ZINC000338295672 353094282 /nfs/dbraw/zinc/09/42/82/353094282.db2.gz JQRRIOWTTYXTPP-UHFFFAOYSA-N 2 1 255.362 -0.394 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000340117771 353152248 /nfs/dbraw/zinc/15/22/48/353152248.db2.gz FLDTWYINYGUPBD-XQQFMLRXSA-N 2 1 296.415 -0.183 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000340207502 353156771 /nfs/dbraw/zinc/15/67/71/353156771.db2.gz WLWPRTYHKNAKKV-OLZOCXBDSA-N 2 1 296.415 -0.168 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000341273569 353207690 /nfs/dbraw/zinc/20/76/90/353207690.db2.gz WYQDEHUXQONZJO-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](C)CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000341273569 353207692 /nfs/dbraw/zinc/20/76/92/353207692.db2.gz WYQDEHUXQONZJO-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](C)CC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000341273569 353207694 /nfs/dbraw/zinc/20/76/94/353207694.db2.gz WYQDEHUXQONZJO-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)C[NH+](C)C ZINC000341267241 353207775 /nfs/dbraw/zinc/20/77/75/353207775.db2.gz SLVNHTSRBWGFNH-STQMWFEESA-N 2 1 270.421 -0.064 20 0 CBADMP COC(=O)c1cn(CC[NH2+]C2CC[NH+](C)CC2)nn1 ZINC000341253142 353207806 /nfs/dbraw/zinc/20/78/06/353207806.db2.gz KCJKLXFNZAFHHB-UHFFFAOYSA-N 2 1 267.333 -0.252 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C[NH+](C)C ZINC000341259766 353207821 /nfs/dbraw/zinc/20/78/21/353207821.db2.gz LFLDEILNUCQNQC-QWHCGFSZSA-N 2 1 268.405 -0.310 20 0 CBADMP C[NH+](C)CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000341304038 353209530 /nfs/dbraw/zinc/20/95/30/353209530.db2.gz SQFUUOYKILMPIX-JTQLQIEISA-N 2 1 256.350 -0.996 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000342763698 353231907 /nfs/dbraw/zinc/23/19/07/353231907.db2.gz DFZKKVSWAGEESN-SNVBAGLBSA-N 2 1 257.334 -0.523 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000342766827 353232044 /nfs/dbraw/zinc/23/20/44/353232044.db2.gz XVVGIOYSMOAVKB-NWDGAFQWSA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000342766827 353232047 /nfs/dbraw/zinc/23/20/47/353232047.db2.gz XVVGIOYSMOAVKB-NWDGAFQWSA-N 2 1 283.372 -0.036 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000342594521 353223144 /nfs/dbraw/zinc/22/31/44/353223144.db2.gz ZPVNOQGDKZOKNA-JHJVBQTASA-N 2 1 268.405 -0.454 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000342594521 353223147 /nfs/dbraw/zinc/22/31/47/353223147.db2.gz ZPVNOQGDKZOKNA-JHJVBQTASA-N 2 1 268.405 -0.454 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000342594521 353223151 /nfs/dbraw/zinc/22/31/51/353223151.db2.gz ZPVNOQGDKZOKNA-JHJVBQTASA-N 2 1 268.405 -0.454 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@](C)(C[NH3+])C2CC2)C1 ZINC000154913209 188170144 /nfs/dbraw/zinc/17/01/44/188170144.db2.gz VZMNKLPJMNCRSF-AAEUAGOBSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@](C)(C[NH3+])C2CC2)C1 ZINC000154913209 188170146 /nfs/dbraw/zinc/17/01/46/188170146.db2.gz VZMNKLPJMNCRSF-AAEUAGOBSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@](C)(C[NH3+])C2CC2)C1 ZINC000154913323 188170444 /nfs/dbraw/zinc/17/04/44/188170444.db2.gz VZMNKLPJMNCRSF-YPMHNXCESA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@](C)(C[NH3+])C2CC2)C1 ZINC000154913323 188170445 /nfs/dbraw/zinc/17/04/45/188170445.db2.gz VZMNKLPJMNCRSF-YPMHNXCESA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000342689278 353228253 /nfs/dbraw/zinc/22/82/53/353228253.db2.gz DHZHEAMQBYKYLC-GFCCVEGCSA-N 2 1 283.372 -0.036 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000343130512 353255178 /nfs/dbraw/zinc/25/51/78/353255178.db2.gz PLLPQOBWAPIXFO-KBPBESRZSA-N 2 1 282.432 -0.062 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+](C)C ZINC000343177113 353257795 /nfs/dbraw/zinc/25/77/95/353257795.db2.gz HOLQIIYYSJQKAA-RYUDHWBXSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+](C)C ZINC000343177111 353257939 /nfs/dbraw/zinc/25/79/39/353257939.db2.gz HOLQIIYYSJQKAA-NEPJUHHUSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343413901 353271194 /nfs/dbraw/zinc/27/11/94/353271194.db2.gz WPTPQWKMPOWTMV-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343413901 353271196 /nfs/dbraw/zinc/27/11/96/353271196.db2.gz WPTPQWKMPOWTMV-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343413901 353271197 /nfs/dbraw/zinc/27/11/97/353271197.db2.gz WPTPQWKMPOWTMV-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343413899 353271305 /nfs/dbraw/zinc/27/13/05/353271305.db2.gz WPTPQWKMPOWTMV-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343413899 353271307 /nfs/dbraw/zinc/27/13/07/353271307.db2.gz WPTPQWKMPOWTMV-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343413899 353271308 /nfs/dbraw/zinc/27/13/08/353271308.db2.gz WPTPQWKMPOWTMV-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343485583 353275094 /nfs/dbraw/zinc/27/50/94/353275094.db2.gz RXSLIGMSBSCBTC-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343485953 353275106 /nfs/dbraw/zinc/27/51/06/353275106.db2.gz QGICQYREJVPPMJ-CYBMUJFWSA-N 2 1 298.456 -0.459 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343485953 353275109 /nfs/dbraw/zinc/27/51/09/353275109.db2.gz QGICQYREJVPPMJ-CYBMUJFWSA-N 2 1 298.456 -0.459 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343216975 353260398 /nfs/dbraw/zinc/26/03/98/353260398.db2.gz KPMNBUIQJURYCY-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343216975 353260401 /nfs/dbraw/zinc/26/04/01/353260401.db2.gz KPMNBUIQJURYCY-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343216975 353260405 /nfs/dbraw/zinc/26/04/05/353260405.db2.gz KPMNBUIQJURYCY-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@H+]1C ZINC000343286216 353263934 /nfs/dbraw/zinc/26/39/34/353263934.db2.gz XORIQPXPXZPCFF-RDBSUJKOSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1C ZINC000343286216 353263936 /nfs/dbraw/zinc/26/39/36/353263936.db2.gz XORIQPXPXZPCFF-RDBSUJKOSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC[NH+]1C ZINC000343286216 353263938 /nfs/dbraw/zinc/26/39/38/353263938.db2.gz XORIQPXPXZPCFF-RDBSUJKOSA-N 2 1 280.416 -0.025 20 0 CBADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343309108 353267102 /nfs/dbraw/zinc/26/71/02/353267102.db2.gz VYXUCHPKDSZRLK-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000343309575 353267181 /nfs/dbraw/zinc/26/71/81/353267181.db2.gz MGYNVZHDLWSOEK-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343309575 353267183 /nfs/dbraw/zinc/26/71/83/353267183.db2.gz MGYNVZHDLWSOEK-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343309575 353267185 /nfs/dbraw/zinc/26/71/85/353267185.db2.gz MGYNVZHDLWSOEK-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343326671 353267613 /nfs/dbraw/zinc/26/76/13/353267613.db2.gz YJJBNFDJYTYFSO-STQMWFEESA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343326671 353267615 /nfs/dbraw/zinc/26/76/15/353267615.db2.gz YJJBNFDJYTYFSO-STQMWFEESA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343326671 353267619 /nfs/dbraw/zinc/26/76/19/353267619.db2.gz YJJBNFDJYTYFSO-STQMWFEESA-N 2 1 266.389 -0.413 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343324076 353268145 /nfs/dbraw/zinc/26/81/45/353268145.db2.gz PMJCIDPVVBPRDR-OCCSQVGLSA-N 2 1 278.400 -0.271 20 0 CBADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343324076 353268148 /nfs/dbraw/zinc/26/81/48/353268148.db2.gz PMJCIDPVVBPRDR-OCCSQVGLSA-N 2 1 278.400 -0.271 20 0 CBADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343324076 353268149 /nfs/dbraw/zinc/26/81/49/353268149.db2.gz PMJCIDPVVBPRDR-OCCSQVGLSA-N 2 1 278.400 -0.271 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343588984 353280412 /nfs/dbraw/zinc/28/04/12/353280412.db2.gz SGFZSNABGRVCQP-KGLIPLIRSA-N 2 1 296.415 -0.787 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343588984 353280414 /nfs/dbraw/zinc/28/04/14/353280414.db2.gz SGFZSNABGRVCQP-KGLIPLIRSA-N 2 1 296.415 -0.787 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343588984 353280416 /nfs/dbraw/zinc/28/04/16/353280416.db2.gz SGFZSNABGRVCQP-KGLIPLIRSA-N 2 1 296.415 -0.787 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343588973 353280431 /nfs/dbraw/zinc/28/04/31/353280431.db2.gz SGFZSNABGRVCQP-KBPBESRZSA-N 2 1 296.415 -0.787 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343588973 353280433 /nfs/dbraw/zinc/28/04/33/353280433.db2.gz SGFZSNABGRVCQP-KBPBESRZSA-N 2 1 296.415 -0.787 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343588973 353280435 /nfs/dbraw/zinc/28/04/35/353280435.db2.gz SGFZSNABGRVCQP-KBPBESRZSA-N 2 1 296.415 -0.787 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000343687235 353284854 /nfs/dbraw/zinc/28/48/54/353284854.db2.gz RACQNHMPIUZGFE-KBPBESRZSA-N 2 1 296.415 -0.787 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000343687235 353284856 /nfs/dbraw/zinc/28/48/56/353284856.db2.gz RACQNHMPIUZGFE-KBPBESRZSA-N 2 1 296.415 -0.787 20 0 CBADMP C[NH+](C)C1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000345308928 353322265 /nfs/dbraw/zinc/32/22/65/353322265.db2.gz UKCJKWIQHSPNQD-LBPRGKRZSA-N 2 1 252.362 -0.851 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)CCC[N@H+]1C ZINC000345332519 353323755 /nfs/dbraw/zinc/32/37/55/353323755.db2.gz YKNGZMKKTKHACS-RDBSUJKOSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CCC[NH+]1C ZINC000345332519 353323757 /nfs/dbraw/zinc/32/37/57/353323757.db2.gz YKNGZMKKTKHACS-RDBSUJKOSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCC[NH+]1C ZINC000345332519 353323760 /nfs/dbraw/zinc/32/37/60/353323760.db2.gz YKNGZMKKTKHACS-RDBSUJKOSA-N 2 1 280.416 -0.025 20 0 CBADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2C)CC1=O ZINC000346127918 353362697 /nfs/dbraw/zinc/36/26/97/353362697.db2.gz VTQSDMGEXLLGQD-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)CCNC(=O)CN1CC[NH+](CC)CC1 ZINC000346132083 353362832 /nfs/dbraw/zinc/36/28/32/353362832.db2.gz PJGZBNBQUIJJES-UHFFFAOYSA-N 2 1 256.394 -0.308 20 0 CBADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2C)CC1=O ZINC000346127920 353362879 /nfs/dbraw/zinc/36/28/79/353362879.db2.gz VTQSDMGEXLLGQD-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCOC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000345648351 353342238 /nfs/dbraw/zinc/34/22/38/353342238.db2.gz XFWLOZYLRHLTEJ-CQSZACIVSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+](C)CCOC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000345648351 353342240 /nfs/dbraw/zinc/34/22/40/353342240.db2.gz XFWLOZYLRHLTEJ-CQSZACIVSA-N 2 1 299.415 -0.114 20 0 CBADMP C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)C2)C1 ZINC000346325501 353371001 /nfs/dbraw/zinc/37/10/01/353371001.db2.gz NXFKHWUXNBPOPL-HOCLYGCPSA-N 2 1 292.427 -0.070 20 0 CBADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C2)C1 ZINC000346325501 353371002 /nfs/dbraw/zinc/37/10/02/353371002.db2.gz NXFKHWUXNBPOPL-HOCLYGCPSA-N 2 1 292.427 -0.070 20 0 CBADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)C2)C1 ZINC000346325501 353371006 /nfs/dbraw/zinc/37/10/06/353371006.db2.gz NXFKHWUXNBPOPL-HOCLYGCPSA-N 2 1 292.427 -0.070 20 0 CBADMP C[NH+]1CCN(c2ncc(CN3CC[NH2+]CC3)cn2)CC1 ZINC000346677435 353389090 /nfs/dbraw/zinc/38/90/90/353389090.db2.gz ZRJGCWKWUOVPBM-UHFFFAOYSA-N 2 1 276.388 -0.366 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CC[N@H+]1C ZINC000347993783 353403994 /nfs/dbraw/zinc/40/39/94/353403994.db2.gz BTDPZLCLHXQGMZ-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000348987147 353442952 /nfs/dbraw/zinc/44/29/52/353442952.db2.gz DZVUHIHLNWOIAN-TZMCWYRMSA-N 2 1 297.399 -0.456 20 0 CBADMP CC[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000349008823 353444930 /nfs/dbraw/zinc/44/49/30/353444930.db2.gz WTOQIFOCFNMWGY-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000349030088 353445780 /nfs/dbraw/zinc/44/57/80/353445780.db2.gz RJDANARBVYOGBR-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP Cn1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])c(=O)n(C)c1=O ZINC000352535827 353491072 /nfs/dbraw/zinc/49/10/72/353491072.db2.gz VYAVOTRIZIBONQ-LBPRGKRZSA-N 2 1 280.372 -0.213 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351498366 353475904 /nfs/dbraw/zinc/47/59/04/353475904.db2.gz VPDXEWUFPDXSGL-GARJFASQSA-N 2 1 261.391 -0.405 20 0 CBADMP C[C@@H]1C[C@@H](C(=O)N[C@@H](CO)CN2CCOCC2)CC[N@H+]1C ZINC000351507494 353475930 /nfs/dbraw/zinc/47/59/30/353475930.db2.gz ZQLHGRWZSGAHGA-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000353090556 353520821 /nfs/dbraw/zinc/52/08/21/353520821.db2.gz SQFQPNZRNSPUML-NEPJUHHUSA-N 2 1 271.409 -0.519 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C[NH3+])OC ZINC000353436313 353532563 /nfs/dbraw/zinc/53/25/63/353532563.db2.gz XVIFLNBIVPDLSU-WDEREUQCSA-N 2 1 259.350 -0.813 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@H](C[NH3+])OC)C[C@@H]1C ZINC000353427897 353532741 /nfs/dbraw/zinc/53/27/41/353532741.db2.gz LZKGBMAZNWQWDU-QWRGUYRKSA-N 2 1 259.350 -0.861 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@H](C[NH3+])OC)C[C@@H]1C ZINC000353427897 353532743 /nfs/dbraw/zinc/53/27/43/353532743.db2.gz LZKGBMAZNWQWDU-QWRGUYRKSA-N 2 1 259.350 -0.861 20 0 CBADMP CN(C)c1nc(N2CCN(C(=O)C3([NH3+])CC3)CC2)cc[nH+]1 ZINC000353697493 353533941 /nfs/dbraw/zinc/53/39/41/353533941.db2.gz DOVNOIJIOFHSNA-UHFFFAOYSA-N 2 1 290.371 -0.318 20 0 CBADMP COC[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000354067631 353542065 /nfs/dbraw/zinc/54/20/65/353542065.db2.gz DKFPILNGGKSADW-WDEREUQCSA-N 2 1 259.350 -0.955 20 0 CBADMP CCN1CC[N@H+](C[C@@H](O)CN2CCOCC2)[C@@H](C)C1 ZINC000352690867 353501788 /nfs/dbraw/zinc/50/17/88/353501788.db2.gz FWQFGCMRZDUBNY-KBPBESRZSA-N 2 1 271.405 -0.295 20 0 CBADMP CCN1CC[N@@H+](C[C@@H](O)CN2CCOCC2)[C@@H](C)C1 ZINC000352690867 353501791 /nfs/dbraw/zinc/50/17/91/353501791.db2.gz FWQFGCMRZDUBNY-KBPBESRZSA-N 2 1 271.405 -0.295 20 0 CBADMP C[N@@H+](CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000354691275 353578969 /nfs/dbraw/zinc/57/89/69/353578969.db2.gz MHLWRHBYISGJML-GFCCVEGCSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000354709737 353579188 /nfs/dbraw/zinc/57/91/88/353579188.db2.gz KDDFOZVJNLYRRZ-AGIUHOORSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354702464 353579630 /nfs/dbraw/zinc/57/96/30/353579630.db2.gz YHDPSKXKILSDFQ-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354717200 353580502 /nfs/dbraw/zinc/58/05/02/353580502.db2.gz VIEXTUNESLADDZ-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354717200 353580505 /nfs/dbraw/zinc/58/05/05/353580505.db2.gz VIEXTUNESLADDZ-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH2+]CCC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000357198631 353601446 /nfs/dbraw/zinc/60/14/46/353601446.db2.gz JIXGMNZZFZYOGF-LLVKDONJSA-N 2 1 270.377 -0.701 20 0 CBADMP C[NH2+]CCC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000357198635 353601790 /nfs/dbraw/zinc/60/17/90/353601790.db2.gz JIXGMNZZFZYOGF-NSHDSACASA-N 2 1 270.377 -0.701 20 0 CBADMP C[NH2+]CCC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000357237714 353601827 /nfs/dbraw/zinc/60/18/27/353601827.db2.gz FTBXZLFEMFWUMN-GFCCVEGCSA-N 2 1 256.394 -0.404 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358051854 353621075 /nfs/dbraw/zinc/62/10/75/353621075.db2.gz RYVDPBSWOXHJLA-OCCSQVGLSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@]1(O)CC[NH+](C)C1)[C@H]1CCSC1 ZINC000358060294 353622946 /nfs/dbraw/zinc/62/29/46/353622946.db2.gz FGCXDCONEDWDDA-AAEUAGOBSA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[C@H]1CCSC1 ZINC000358060294 353622949 /nfs/dbraw/zinc/62/29/49/353622949.db2.gz FGCXDCONEDWDDA-AAEUAGOBSA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CCSC1 ZINC000358060294 353622953 /nfs/dbraw/zinc/62/29/53/353622953.db2.gz FGCXDCONEDWDDA-AAEUAGOBSA-N 2 1 287.429 -0.394 20 0 CBADMP COCC[N@@H+]1CC[C@@H](NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000358119593 353627784 /nfs/dbraw/zinc/62/77/84/353627784.db2.gz OTUMBMNBRRBMEU-OLZOCXBDSA-N 2 1 257.378 -0.637 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000358119593 353627785 /nfs/dbraw/zinc/62/77/85/353627785.db2.gz OTUMBMNBRRBMEU-OLZOCXBDSA-N 2 1 257.378 -0.637 20 0 CBADMP COCC[NH+]1CC[C@@H](NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000358119593 353627786 /nfs/dbraw/zinc/62/77/86/353627786.db2.gz OTUMBMNBRRBMEU-OLZOCXBDSA-N 2 1 257.378 -0.637 20 0 CBADMP COCC[NH+]1CC[C@@H](NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000358119593 353627787 /nfs/dbraw/zinc/62/77/87/353627787.db2.gz OTUMBMNBRRBMEU-OLZOCXBDSA-N 2 1 257.378 -0.637 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000358139392 353628519 /nfs/dbraw/zinc/62/85/19/353628519.db2.gz RNKKZJGMCUTBJO-OLZOCXBDSA-N 2 1 284.404 -0.802 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000358523522 353648991 /nfs/dbraw/zinc/64/89/91/353648991.db2.gz LOWGTAPAWRHPIC-RYUDHWBXSA-N 2 1 299.419 -0.425 20 0 CBADMP CC[NH+](CC)CC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000357781662 353606145 /nfs/dbraw/zinc/60/61/45/353606145.db2.gz CHUGIMMGLOOEKL-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@@H+](CCCO)C1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000361313718 353661035 /nfs/dbraw/zinc/66/10/35/353661035.db2.gz NYSFGLOLUDENSL-CHWSQXEVSA-N 2 1 258.362 -0.475 20 0 CBADMP COCCOCC[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362827580 353668270 /nfs/dbraw/zinc/66/82/70/353668270.db2.gz AECHZWZMSCTECX-ZDUSSCGKSA-N 2 1 285.388 -0.454 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000365085996 353672920 /nfs/dbraw/zinc/67/29/20/353672920.db2.gz SAOUNZIILVHDPW-FRRDWIJNSA-N 2 1 285.388 -0.818 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000365332312 353673372 /nfs/dbraw/zinc/67/33/72/353673372.db2.gz SAOUNZIILVHDPW-RWMBFGLXSA-N 2 1 285.388 -0.818 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000371226306 353697690 /nfs/dbraw/zinc/69/76/90/353697690.db2.gz QJUTWSUDWRUOBX-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000371226306 353697691 /nfs/dbraw/zinc/69/76/91/353697691.db2.gz QJUTWSUDWRUOBX-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000371226306 353697694 /nfs/dbraw/zinc/69/76/94/353697694.db2.gz QJUTWSUDWRUOBX-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP O=C([C@H]1COCC[NH2+]1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371226878 353698146 /nfs/dbraw/zinc/69/81/46/353698146.db2.gz CVXWSILFMOREEI-QWHCGFSZSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000371341350 353700687 /nfs/dbraw/zinc/70/06/87/353700687.db2.gz NMNUEWOBMYYAFB-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372098686 353710459 /nfs/dbraw/zinc/71/04/59/353710459.db2.gz MMLYOPMBGFGOBR-RWMBFGLXSA-N 2 1 267.373 -0.204 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000372435661 353717419 /nfs/dbraw/zinc/71/74/19/353717419.db2.gz FRDJOOODVQWJTO-WFASDCNBSA-N 2 1 294.399 -0.734 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000374798506 353749182 /nfs/dbraw/zinc/74/91/82/353749182.db2.gz JVFCKNVKPSYVCB-AVGNSLFASA-N 2 1 284.404 -0.803 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000374798506 353749185 /nfs/dbraw/zinc/74/91/85/353749185.db2.gz JVFCKNVKPSYVCB-AVGNSLFASA-N 2 1 284.404 -0.803 20 0 CBADMP C[N@@H+]1CC[C@H]2CCN(CC(=O)N3CC[NH+](C)CC3)C[C@@H]21 ZINC000375030488 353752814 /nfs/dbraw/zinc/75/28/14/353752814.db2.gz KZPJONBGKWHFBE-KBPBESRZSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(CC(=O)N3CC[NH+](C)CC3)C[C@@H]21 ZINC000375030488 353752818 /nfs/dbraw/zinc/75/28/18/353752818.db2.gz KZPJONBGKWHFBE-KBPBESRZSA-N 2 1 280.416 -0.214 20 0 CBADMP C[NH2+]CCC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000375834875 353768235 /nfs/dbraw/zinc/76/82/35/353768235.db2.gz PLJMFNQCVARPLP-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+](C)CC(=O)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000376144649 353771842 /nfs/dbraw/zinc/77/18/42/353771842.db2.gz WXRUBMWYLQMJSZ-UHFFFAOYSA-N 2 1 298.431 -0.586 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH2+]C3)C2)CC1 ZINC000377198688 353777880 /nfs/dbraw/zinc/77/78/80/353777880.db2.gz QSTOEYNNHUCFLB-QWHCGFSZSA-N 2 1 280.416 -0.119 20 0 CBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]3CC[NH2+]C3)C2)CC1 ZINC000377198688 353777883 /nfs/dbraw/zinc/77/78/83/353777883.db2.gz QSTOEYNNHUCFLB-QWHCGFSZSA-N 2 1 280.416 -0.119 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC000378201452 353780202 /nfs/dbraw/zinc/78/02/02/353780202.db2.gz DAMASJPHFPUNOE-KBPBESRZSA-N 2 1 296.415 -0.787 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000388254359 353789866 /nfs/dbraw/zinc/78/98/66/353789866.db2.gz JDTLRCKFMOQHOB-CYBMUJFWSA-N 2 1 273.421 -0.313 20 0 CBADMP COC[C@@]1(C(=O)NCC[N@@H+]2CC=CCC2)CC[NH2+]C1 ZINC000392965144 353792470 /nfs/dbraw/zinc/79/24/70/353792470.db2.gz RMHSGTHOCJEUNY-CQSZACIVSA-N 2 1 267.373 -0.009 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)CN1CC[NH2+]CC1 ZINC000394158379 353793801 /nfs/dbraw/zinc/79/38/01/353793801.db2.gz PKUAGVXTORZIRE-UHFFFAOYSA-N 2 1 251.334 -0.787 20 0 CBADMP CN1CC[NH+](CC2(C)CC[NH+](CC(N)=O)CC2)CC1 ZINC000408204129 353872017 /nfs/dbraw/zinc/87/20/17/353872017.db2.gz NCHMFCBEGIVGQH-UHFFFAOYSA-N 2 1 268.405 -0.179 20 0 CBADMP CCS(=O)(=O)N1CC(C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000408254947 353880806 /nfs/dbraw/zinc/88/08/06/353880806.db2.gz PICXXLOPOUBQHS-UHFFFAOYSA-N 2 1 275.418 -0.048 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000416310064 353968360 /nfs/dbraw/zinc/96/83/60/353968360.db2.gz YKQSJEUKKUZNNE-GFCCVEGCSA-N 2 1 266.389 -0.413 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000416995901 353975013 /nfs/dbraw/zinc/97/50/13/353975013.db2.gz LUBYZVZYCDDECN-GFCCVEGCSA-N 2 1 299.419 -0.567 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)NCC(F)(F)CN ZINC000417084871 353975881 /nfs/dbraw/zinc/97/58/81/353975881.db2.gz ATKFROPZXWQCGU-UHFFFAOYSA-N 2 1 282.335 -0.152 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)NCC(F)(F)C[NH3+] ZINC000417084871 353975886 /nfs/dbraw/zinc/97/58/86/353975886.db2.gz ATKFROPZXWQCGU-UHFFFAOYSA-N 2 1 282.335 -0.152 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417446299 353977498 /nfs/dbraw/zinc/97/74/98/353977498.db2.gz KPJSEBWQWSZQMZ-LLVKDONJSA-N 2 1 258.366 -0.384 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)NCC[N@@H+](C)CCOC ZINC000417437400 353977535 /nfs/dbraw/zinc/97/75/35/353977535.db2.gz HFSTUINYHKTXOK-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417437592 353977550 /nfs/dbraw/zinc/97/75/50/353977550.db2.gz HPMWGGKUYHXWJQ-URLYPYJESA-N 2 1 256.350 -0.918 20 0 CBADMP CC[N@@H+](CCNC(=O)NCCN1CC[NH2+]CC1)C(C)C ZINC000417462134 353977780 /nfs/dbraw/zinc/97/77/80/353977780.db2.gz MUUKQSBQCSJZAF-UHFFFAOYSA-N 2 1 285.436 -0.079 20 0 CBADMP CC[N@@H+](CCNC(=O)N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000417433089 353978030 /nfs/dbraw/zinc/97/80/30/353978030.db2.gz UYANQUOHPHINOX-GFCCVEGCSA-N 2 1 270.377 -0.160 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417442286 353978057 /nfs/dbraw/zinc/97/80/57/353978057.db2.gz TWJTZDWXIHJABM-LLVKDONJSA-N 2 1 258.366 -0.303 20 0 CBADMP C[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000417551284 353979679 /nfs/dbraw/zinc/97/96/79/353979679.db2.gz NVOVZYKHPNAGKW-LBPRGKRZSA-N 2 1 283.420 -0.327 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)N1CC[NH2+]CC1 ZINC000417609598 353980388 /nfs/dbraw/zinc/98/03/88/353980388.db2.gz LNSLOBYMXKMMEM-UHFFFAOYSA-N 2 1 258.391 -0.350 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000417701554 353980884 /nfs/dbraw/zinc/98/08/84/353980884.db2.gz IFIQILXKQCYRDX-SCRDCRAPSA-N 2 1 296.415 -0.117 20 0 CBADMP O=C(NCCCN1CC[NH2+]CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000417682810 353980954 /nfs/dbraw/zinc/98/09/54/353980954.db2.gz LSQQNWRFVGPLGN-ZDUSSCGKSA-N 2 1 295.431 -0.182 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000418416692 353997341 /nfs/dbraw/zinc/99/73/41/353997341.db2.gz VVVRKLQCYKBQJQ-VXGBXAGGSA-N 2 1 272.393 -0.322 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)CCC[N@H+]1C ZINC000418008756 353986535 /nfs/dbraw/zinc/98/65/35/353986535.db2.gz SROOCKPWBCQLMI-JHJVBQTASA-N 2 1 283.420 -0.328 20 0 CBADMP C[NH2+]CCCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418280277 353990281 /nfs/dbraw/zinc/99/02/81/353990281.db2.gz RGDRMLZDRUBUKW-LBPRGKRZSA-N 2 1 272.393 -0.258 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCC[NH2+]C1CC1 ZINC000418285146 353990367 /nfs/dbraw/zinc/99/03/67/353990367.db2.gz DVYDETJISVUUPG-GFCCVEGCSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCC[NH2+]C1CC1 ZINC000418285146 353990369 /nfs/dbraw/zinc/99/03/69/353990369.db2.gz DVYDETJISVUUPG-GFCCVEGCSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH2+]CCCNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000418279149 353990569 /nfs/dbraw/zinc/99/05/69/353990569.db2.gz OIOANZOTWSVTLL-NWDGAFQWSA-N 2 1 272.393 -0.308 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[NH3+])[C@@H](C)C1 ZINC000418305919 353992955 /nfs/dbraw/zinc/99/29/55/353992955.db2.gz PWNNBZBOLYANRG-JTQLQIEISA-N 2 1 272.349 -0.776 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)NCC[NH3+])[C@@H](C)C1 ZINC000418305919 353992956 /nfs/dbraw/zinc/99/29/56/353992956.db2.gz PWNNBZBOLYANRG-JTQLQIEISA-N 2 1 272.349 -0.776 20 0 CBADMP C[NH2+]CCNC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000418334839 353993887 /nfs/dbraw/zinc/99/38/87/353993887.db2.gz UMVHWLYYYALTCP-LLVKDONJSA-N 2 1 286.376 -0.515 20 0 CBADMP C[NH2+]CCNC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000418334839 353993889 /nfs/dbraw/zinc/99/38/89/353993889.db2.gz UMVHWLYYYALTCP-LLVKDONJSA-N 2 1 286.376 -0.515 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000418365191 353994724 /nfs/dbraw/zinc/99/47/24/353994724.db2.gz DVHSLPBZLRCMCL-OLZOCXBDSA-N 2 1 286.420 -0.012 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418355363 353995149 /nfs/dbraw/zinc/99/51/49/353995149.db2.gz BJHISNWYMNZQRC-QWHCGFSZSA-N 2 1 284.404 -0.116 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000418383252 353995588 /nfs/dbraw/zinc/99/55/88/353995588.db2.gz NGYSIXIUICMYQM-VXGBXAGGSA-N 2 1 298.387 -0.373 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000418383252 353995590 /nfs/dbraw/zinc/99/55/90/353995590.db2.gz NGYSIXIUICMYQM-VXGBXAGGSA-N 2 1 298.387 -0.373 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418382984 353995692 /nfs/dbraw/zinc/99/56/92/353995692.db2.gz INNWANVNVIJPLA-NSHDSACASA-N 2 1 260.382 -0.417 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000418383250 353996028 /nfs/dbraw/zinc/99/60/28/353996028.db2.gz NGYSIXIUICMYQM-NWDGAFQWSA-N 2 1 298.387 -0.373 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000418383250 353996030 /nfs/dbraw/zinc/99/60/30/353996030.db2.gz NGYSIXIUICMYQM-NWDGAFQWSA-N 2 1 298.387 -0.373 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[NH+](C)C(C)C)CC[N@H+](C)C1 ZINC000413919624 353960402 /nfs/dbraw/zinc/96/04/02/353960402.db2.gz MUBMRSVNJNORJY-GFCCVEGCSA-N 2 1 285.388 -0.110 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[NH+](C)C(C)C)CC[N@@H+](C)C1 ZINC000413919624 353960405 /nfs/dbraw/zinc/96/04/05/353960405.db2.gz MUBMRSVNJNORJY-GFCCVEGCSA-N 2 1 285.388 -0.110 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[NH+](C)C1 ZINC000413919624 353960406 /nfs/dbraw/zinc/96/04/06/353960406.db2.gz MUBMRSVNJNORJY-GFCCVEGCSA-N 2 1 285.388 -0.110 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[NH+](C)C1 ZINC000413919624 353960408 /nfs/dbraw/zinc/96/04/08/353960408.db2.gz MUBMRSVNJNORJY-GFCCVEGCSA-N 2 1 285.388 -0.110 20 0 CBADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000414651142 353963149 /nfs/dbraw/zinc/96/31/49/353963149.db2.gz FFELTSQBZFVGDT-OLZOCXBDSA-N 3 1 268.405 -0.262 20 0 CBADMP C[C@@H]1C[C@@H](C[N@H+](C)CC(=O)N2CCNCC2)CC[NH2+]1 ZINC000414651142 353963151 /nfs/dbraw/zinc/96/31/51/353963151.db2.gz FFELTSQBZFVGDT-OLZOCXBDSA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC(=O)N2CCNCC2)CC[NH2+]1 ZINC000414651142 353963156 /nfs/dbraw/zinc/96/31/56/353963156.db2.gz FFELTSQBZFVGDT-OLZOCXBDSA-N 2 1 268.405 -0.262 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419229586 354039606 /nfs/dbraw/zinc/03/96/06/354039606.db2.gz OXBRERUBSLXBHW-ZDUSSCGKSA-N 2 1 296.415 -0.216 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419278106 354043603 /nfs/dbraw/zinc/04/36/03/354043603.db2.gz AQDCNHCQADFUQO-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000418494444 353999270 /nfs/dbraw/zinc/99/92/70/353999270.db2.gz SEAIUXNAMYPJLF-GFCCVEGCSA-N 2 1 272.393 -0.055 20 0 CBADMP COCC[NH2+]CCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000418509876 353999809 /nfs/dbraw/zinc/99/98/09/353999809.db2.gz OURJNOWVRNBJFN-UHFFFAOYSA-N 2 1 270.377 -0.288 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418583169 354003238 /nfs/dbraw/zinc/00/32/38/354003238.db2.gz ATFJMGVNMUNINW-CHWSQXEVSA-N 2 1 284.404 -0.042 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)NCC[N@@H+](CC)CCO ZINC000418588913 354003318 /nfs/dbraw/zinc/00/33/18/354003318.db2.gz HIEXNXHQSUSVMM-LLVKDONJSA-N 2 1 260.382 -0.402 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000418572174 354003700 /nfs/dbraw/zinc/00/37/00/354003700.db2.gz SFBHDFKLEGIRKH-LBPRGKRZSA-N 2 1 273.425 -0.142 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000418572174 354003703 /nfs/dbraw/zinc/00/37/03/354003703.db2.gz SFBHDFKLEGIRKH-LBPRGKRZSA-N 2 1 273.425 -0.142 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418679414 354005808 /nfs/dbraw/zinc/00/58/08/354005808.db2.gz WUVIOSLTKXKLLU-WYUUTHIRSA-N 2 1 252.362 -0.060 20 0 CBADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000418708947 354005987 /nfs/dbraw/zinc/00/59/87/354005987.db2.gz UOJLMFFCZNIFSH-USZNOCQGSA-N 2 1 272.393 -0.181 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000418972171 354018568 /nfs/dbraw/zinc/01/85/68/354018568.db2.gz YHAUDGGSHAXLCI-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC000418991435 354019778 /nfs/dbraw/zinc/01/97/78/354019778.db2.gz XSODMFFYCCKYEX-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000418989537 354020138 /nfs/dbraw/zinc/02/01/38/354020138.db2.gz UFHFSIZYBKELTG-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419032412 354024954 /nfs/dbraw/zinc/02/49/54/354024954.db2.gz WMQLSZWONGXIHN-YNEHKIRRSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000419029778 354025543 /nfs/dbraw/zinc/02/55/43/354025543.db2.gz SCFZYEXOAMEPKC-TUAOUCFPSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCC[NH3+])C1 ZINC000419046181 354026824 /nfs/dbraw/zinc/02/68/24/354026824.db2.gz PFZJQRIFLLIUDE-NSHDSACASA-N 2 1 284.404 -0.312 20 0 CBADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419131305 354029882 /nfs/dbraw/zinc/02/98/82/354029882.db2.gz CJKRGCXVHDGACL-LLVKDONJSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419155809 354034077 /nfs/dbraw/zinc/03/40/77/354034077.db2.gz UPTRQVXXZYJFOP-NEPJUHHUSA-N 2 1 296.415 -0.171 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419159104 354034505 /nfs/dbraw/zinc/03/45/05/354034505.db2.gz YTEBWDVZQKJFEF-LLVKDONJSA-N 2 1 282.388 -0.545 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000419215970 354037221 /nfs/dbraw/zinc/03/72/21/354037221.db2.gz AVYWDVSLKRSKPE-LBPRGKRZSA-N 2 1 280.372 -0.686 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)CCC[N@H+]1C ZINC000419563353 354061678 /nfs/dbraw/zinc/06/16/78/354061678.db2.gz WHKHSROFXYBJGC-MNOVXSKESA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000419554693 354061886 /nfs/dbraw/zinc/06/18/86/354061886.db2.gz ICLKTGHIIQVXRG-SRVKXCTJSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419575746 354062665 /nfs/dbraw/zinc/06/26/65/354062665.db2.gz BCRRLFYUTYDLLW-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000419576850 354062706 /nfs/dbraw/zinc/06/27/06/354062706.db2.gz CNASCCTZLXHGIE-UTUOFQBUSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[N@@H+](C)C1CC1 ZINC000419575831 354062887 /nfs/dbraw/zinc/06/28/87/354062887.db2.gz BIBDOZGCVAPNHK-CABZTGNLSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000419579429 354063325 /nfs/dbraw/zinc/06/33/25/354063325.db2.gz GAJXYLWGGKYFLN-VXGBXAGGSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000419581581 354063391 /nfs/dbraw/zinc/06/33/91/354063391.db2.gz INYWJVSCFRZQSZ-MNOVXSKESA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])[N@@H+](C)C1CC1 ZINC000419579905 354063605 /nfs/dbraw/zinc/06/36/05/354063605.db2.gz GZEZLVWFJAPUSC-SECBINFHSA-N 2 1 270.377 -0.561 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419579896 354063671 /nfs/dbraw/zinc/06/36/71/354063671.db2.gz GXNUMRNJHGXAJA-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419578551 354064210 /nfs/dbraw/zinc/06/42/10/354064210.db2.gz FCGZJWOQENOMPR-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000419581505 354064234 /nfs/dbraw/zinc/06/42/34/354064234.db2.gz IIDNOYPUBZVXRR-RYUDHWBXSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419577368 354064304 /nfs/dbraw/zinc/06/43/04/354064304.db2.gz CYVCPKRDYVBXMC-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419597247 354064658 /nfs/dbraw/zinc/06/46/58/354064658.db2.gz ZWNCMBDOCKBIIB-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419589624 354065282 /nfs/dbraw/zinc/06/52/82/354065282.db2.gz PIKOVVYAYVGDBW-JTQLQIEISA-N 2 1 256.350 -0.948 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000419593577 354065321 /nfs/dbraw/zinc/06/53/21/354065321.db2.gz SWMMJACYZAIGLS-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[N@@H+](C)C1CC1 ZINC000419596382 354065581 /nfs/dbraw/zinc/06/55/81/354065581.db2.gz YAVQXBFWMQSICM-BXKDBHETSA-N 2 1 282.388 -0.561 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000419586403 354065650 /nfs/dbraw/zinc/06/56/50/354065650.db2.gz MWIUAUHUNYADOT-CMPLNLGQSA-N 2 1 284.404 -0.315 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)C(C)C ZINC000419872541 354088012 /nfs/dbraw/zinc/08/80/12/354088012.db2.gz YJPFANBVKFSFJG-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419689649 354069770 /nfs/dbraw/zinc/06/97/70/354069770.db2.gz ATKLWKMPXIQNPU-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C1CCCC1 ZINC000419694765 354069785 /nfs/dbraw/zinc/06/97/85/354069785.db2.gz LIZSSPYOCVDHQK-CYBMUJFWSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419695483 354069904 /nfs/dbraw/zinc/06/99/04/354069904.db2.gz MXOJABNGGWKERU-JTQLQIEISA-N 2 1 270.377 -0.560 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000419693132 354069922 /nfs/dbraw/zinc/06/99/22/354069922.db2.gz IJZNKBWALUZXLM-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419692762 354069973 /nfs/dbraw/zinc/06/99/73/354069973.db2.gz HFHZYSUGKVLRCS-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419689646 354070002 /nfs/dbraw/zinc/07/00/02/354070002.db2.gz ATKLWKMPXIQNPU-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419694310 354070073 /nfs/dbraw/zinc/07/00/73/354070073.db2.gz KLHRFGIWTOFGJC-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419697187 354070267 /nfs/dbraw/zinc/07/02/67/354070267.db2.gz QHFMRNKJUWQMGF-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419697456 354070324 /nfs/dbraw/zinc/07/03/24/354070324.db2.gz QRVYOISSEHWVQX-NEPJUHHUSA-N 2 1 294.399 -0.402 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419693456 354070561 /nfs/dbraw/zinc/07/05/61/354070561.db2.gz IPKXCMPTEJHVFB-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419730513 354073917 /nfs/dbraw/zinc/07/39/17/354073917.db2.gz KCJQQHUDHJOHSE-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419730104 354074033 /nfs/dbraw/zinc/07/40/33/354074033.db2.gz JFDZZFPECDUYCM-GFCCVEGCSA-N 2 1 282.388 -0.463 20 0 CBADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419740805 354074750 /nfs/dbraw/zinc/07/47/50/354074750.db2.gz YFHLRPSUDKADFD-DGCLKSJQSA-N 2 1 294.399 -0.402 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419756695 354075022 /nfs/dbraw/zinc/07/50/22/354075022.db2.gz BFZTYZXUSYDRHX-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419741279 354075039 /nfs/dbraw/zinc/07/50/39/354075039.db2.gz YWKMUGKBIBUYCZ-ZDUSSCGKSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419766610 354075623 /nfs/dbraw/zinc/07/56/23/354075623.db2.gz RTLUSTLEGVZCBS-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419763987 354075660 /nfs/dbraw/zinc/07/56/60/354075660.db2.gz OVCWZTBUEJZSLR-CYBMUJFWSA-N 2 1 298.431 -0.050 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419768426 354076271 /nfs/dbraw/zinc/07/62/71/354076271.db2.gz UKFVLBYOTFUDSN-SNVBAGLBSA-N 2 1 258.366 -0.702 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000419769243 354076489 /nfs/dbraw/zinc/07/64/89/354076489.db2.gz DOUZEBLFFPBBMB-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419767861 354076668 /nfs/dbraw/zinc/07/66/68/354076668.db2.gz TWETZFFRETXODK-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419768403 354076766 /nfs/dbraw/zinc/07/67/66/354076766.db2.gz UJKCBVLGBGMPTQ-NSHDSACASA-N 2 1 272.393 -0.360 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419783846 354077746 /nfs/dbraw/zinc/07/77/46/354077746.db2.gz VRVGAGIVHRJDLA-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000419785074 354077770 /nfs/dbraw/zinc/07/77/70/354077770.db2.gz YHBMNFHIWDOZPU-RYUDHWBXSA-N 2 1 298.431 -0.066 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419813306 354079296 /nfs/dbraw/zinc/07/92/96/354079296.db2.gz GWQJHQSBYPHEIG-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419812003 354079431 /nfs/dbraw/zinc/07/94/31/354079431.db2.gz GILOYEXBDGECPG-FRRDWIJNSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000419883360 354088546 /nfs/dbraw/zinc/08/85/46/354088546.db2.gz DDLBWARBVRGNGY-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419830425 354081192 /nfs/dbraw/zinc/08/11/92/354081192.db2.gz QGUIEIMWNFQCHU-YNEHKIRRSA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419831936 354081401 /nfs/dbraw/zinc/08/14/01/354081401.db2.gz RGJPZZHNKAGQDM-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419831932 354081412 /nfs/dbraw/zinc/08/14/12/354081412.db2.gz RGJPZZHNKAGQDM-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000419835317 354082099 /nfs/dbraw/zinc/08/20/99/354082099.db2.gz ACPPJHUZKBMFKZ-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000419835317 354082101 /nfs/dbraw/zinc/08/21/01/354082101.db2.gz ACPPJHUZKBMFKZ-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCCC[NH3+])C[C@@H]1C ZINC000419836069 354082266 /nfs/dbraw/zinc/08/22/66/354082266.db2.gz XAWWXNINVXMRIQ-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCCC[NH3+])C[C@@H]1C ZINC000419836069 354082269 /nfs/dbraw/zinc/08/22/69/354082269.db2.gz XAWWXNINVXMRIQ-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCC[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000419839250 354083233 /nfs/dbraw/zinc/08/32/33/354083233.db2.gz QBUYNVNNTKWJDT-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000419847731 354083938 /nfs/dbraw/zinc/08/39/38/354083938.db2.gz SAEMGOMUMPXOLF-UHFFFAOYSA-N 2 1 282.388 -0.734 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419847374 354083956 /nfs/dbraw/zinc/08/39/56/354083956.db2.gz SZRQLIDZZRKOGY-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419846163 354084056 /nfs/dbraw/zinc/08/40/56/354084056.db2.gz RGSBQXHZLDOJKL-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCC[NH2+]C)C[C@@H]1C ZINC000419849063 354085110 /nfs/dbraw/zinc/08/51/10/354085110.db2.gz WPVSMGWJUSWCCD-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCC[NH2+]C)C[C@@H]1C ZINC000419849063 354085113 /nfs/dbraw/zinc/08/51/13/354085113.db2.gz WPVSMGWJUSWCCD-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419853336 354085522 /nfs/dbraw/zinc/08/55/22/354085522.db2.gz ANXFZPDNLZOKED-CYBMUJFWSA-N 2 1 296.415 -0.360 20 0 CBADMP [NH3+][C@H](CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000419854883 354085602 /nfs/dbraw/zinc/08/56/02/354085602.db2.gz CAJKJJCSOIBTAW-CYBMUJFWSA-N 2 1 294.399 -0.606 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419293049 354044123 /nfs/dbraw/zinc/04/41/23/354044123.db2.gz ZYNPJDUQGDLYRH-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419300276 354044800 /nfs/dbraw/zinc/04/48/00/354044800.db2.gz LSOTUHDXPGUUMU-GFCCVEGCSA-N 2 1 295.387 -0.203 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000419300854 354044910 /nfs/dbraw/zinc/04/49/10/354044910.db2.gz MVUJVYZWORSNJB-GHMZBOCLSA-N 2 1 293.371 -0.483 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419292757 354044943 /nfs/dbraw/zinc/04/49/43/354044943.db2.gz ZLGWKOJMEMPSLV-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419288172 354044980 /nfs/dbraw/zinc/04/49/80/354044980.db2.gz QZDUQHVKGFETGV-UHFFFAOYSA-N 2 1 284.404 -0.168 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000419315208 354045548 /nfs/dbraw/zinc/04/55/48/354045548.db2.gz JNIVYRHEPYFJTD-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000419315585 354045712 /nfs/dbraw/zinc/04/57/12/354045712.db2.gz KGVCIGNCFNYQPU-NQBHXWOUSA-N 2 1 296.415 -0.173 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000419322405 354046203 /nfs/dbraw/zinc/04/62/03/354046203.db2.gz SIBHVNDBHQGFJC-QWRGUYRKSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000419322897 354047142 /nfs/dbraw/zinc/04/71/42/354047142.db2.gz SYTYYAOASWUPIH-IJLUTSLNSA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419334314 354047218 /nfs/dbraw/zinc/04/72/18/354047218.db2.gz MZEHJUAWHNLHDE-GXSJLCMTSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000419402633 354050915 /nfs/dbraw/zinc/05/09/15/354050915.db2.gz COUUKCLBNNUMLE-VXGBXAGGSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419402688 354051114 /nfs/dbraw/zinc/05/11/14/354051114.db2.gz CVPGDRACMIKZSP-CHWSQXEVSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000419401974 354051713 /nfs/dbraw/zinc/05/17/13/354051713.db2.gz BQLJVLMUEYRKPP-LBPRGKRZSA-N 2 1 282.388 -0.734 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000419411050 354052311 /nfs/dbraw/zinc/05/23/11/354052311.db2.gz PTUGYQIRWVSYTL-NSHDSACASA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC[NH2+]1 ZINC000419410139 354052644 /nfs/dbraw/zinc/05/26/44/354052644.db2.gz OGJWYVLAHMURLR-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419417644 354053283 /nfs/dbraw/zinc/05/32/83/354053283.db2.gz XKDQVIPLMSBREC-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419419086 354053799 /nfs/dbraw/zinc/05/37/99/354053799.db2.gz YVRZDFDOABPREJ-CHWSQXEVSA-N 2 1 298.431 -0.066 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)CC[NH3+])C1CC1 ZINC000419501125 354056088 /nfs/dbraw/zinc/05/60/88/354056088.db2.gz ASAMSSAXOWBLBX-JTQLQIEISA-N 2 1 270.377 -0.560 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419501826 354056843 /nfs/dbraw/zinc/05/68/43/354056843.db2.gz CDJSCNYDSPKMDG-RWMBFGLXSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419519022 354057135 /nfs/dbraw/zinc/05/71/35/354057135.db2.gz FFMVUPGCSXMYDX-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCC[NH3+] ZINC000419522999 354057266 /nfs/dbraw/zinc/05/72/66/354057266.db2.gz NNXVCSSHCOMUBL-JTQLQIEISA-N 2 1 258.366 -0.702 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)C1CC1 ZINC000419522440 354057278 /nfs/dbraw/zinc/05/72/78/354057278.db2.gz MKUYZDBKPCIREE-OAHLLOKOSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419525587 354058409 /nfs/dbraw/zinc/05/84/09/354058409.db2.gz ROQLLZWITDKZOH-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419524518 354058556 /nfs/dbraw/zinc/05/85/56/354058556.db2.gz PXLGORROQHOYSO-NWDGAFQWSA-N 2 1 286.420 -0.195 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419528033 354058664 /nfs/dbraw/zinc/05/86/64/354058664.db2.gz VUDDCPRTFHDCJV-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC[NH2+]1 ZINC000419544334 354059953 /nfs/dbraw/zinc/05/99/53/354059953.db2.gz HLCGVNRNEZOEBJ-SDDRHHMPSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC[NH2+]1 ZINC000419544342 354060127 /nfs/dbraw/zinc/06/01/27/354060127.db2.gz HLCGVNRNEZOEBJ-WOPDTQHZSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC[NH2+]1 ZINC000419544328 354060492 /nfs/dbraw/zinc/06/04/92/354060492.db2.gz HLCGVNRNEZOEBJ-GRYCIOLGSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CCC[N@H+]1C ZINC000419544338 354060618 /nfs/dbraw/zinc/06/06/18/354060618.db2.gz HLCGVNRNEZOEBJ-TUAOUCFPSA-N 2 1 282.388 -0.594 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000419881367 354089227 /nfs/dbraw/zinc/08/92/27/354089227.db2.gz WDZPAEURSVEUNH-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419879658 354089248 /nfs/dbraw/zinc/08/92/48/354089248.db2.gz ZPLZOWVPIKFKIH-QWHCGFSZSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419879658 354089251 /nfs/dbraw/zinc/08/92/51/354089251.db2.gz ZPLZOWVPIKFKIH-QWHCGFSZSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000419897402 354091516 /nfs/dbraw/zinc/09/15/16/354091516.db2.gz VVGYMRJWIQOMCZ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000419897402 354091517 /nfs/dbraw/zinc/09/15/17/354091517.db2.gz VVGYMRJWIQOMCZ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000419899347 354091999 /nfs/dbraw/zinc/09/19/99/354091999.db2.gz YOZXIMXTTVBSGT-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)C(C)C ZINC000419914593 354093654 /nfs/dbraw/zinc/09/36/54/354093654.db2.gz OFMAEYQQBZSXRG-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000419912924 354093667 /nfs/dbraw/zinc/09/36/67/354093667.db2.gz YDUBRQYSGDCCKE-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419930468 354094295 /nfs/dbraw/zinc/09/42/95/354094295.db2.gz AYZZAZLWTQOXBF-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C[NH3+])C[C@H]1C ZINC000419944733 354095481 /nfs/dbraw/zinc/09/54/81/354095481.db2.gz BKBZGFVQOAIVGH-TUAOUCFPSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C[NH3+])C[C@H]1C ZINC000419944733 354095483 /nfs/dbraw/zinc/09/54/83/354095483.db2.gz BKBZGFVQOAIVGH-TUAOUCFPSA-N 2 1 284.404 -0.362 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000419954784 354096500 /nfs/dbraw/zinc/09/65/00/354096500.db2.gz QVRUYVUCLNLKFQ-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000419961054 354097278 /nfs/dbraw/zinc/09/72/78/354097278.db2.gz SWNQKVUGBKXCLP-XQQFMLRXSA-N 2 1 298.431 -0.066 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000419973442 354098347 /nfs/dbraw/zinc/09/83/47/354098347.db2.gz HWMFJSSNPBZRCW-ZDUSSCGKSA-N 2 1 298.431 -0.242 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000420000115 354100862 /nfs/dbraw/zinc/10/08/62/354100862.db2.gz PKKCBGUWHBDMTH-STQMWFEESA-N 2 1 298.431 -0.066 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)C[NH3+])C[C@H]1C ZINC000420023041 354103010 /nfs/dbraw/zinc/10/30/10/354103010.db2.gz WTWUXPCTURTZFX-AXFHLTTASA-N 2 1 270.377 -0.609 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)C[NH3+])C[C@H]1C ZINC000420023041 354103014 /nfs/dbraw/zinc/10/30/14/354103014.db2.gz WTWUXPCTURTZFX-AXFHLTTASA-N 2 1 270.377 -0.609 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420071950 354107637 /nfs/dbraw/zinc/10/76/37/354107637.db2.gz YOSCHOORRVBSBV-GFCCVEGCSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000420108590 354109026 /nfs/dbraw/zinc/10/90/26/354109026.db2.gz CRDTZNZHWKEUOA-AAEUAGOBSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420095688 354109349 /nfs/dbraw/zinc/10/93/49/354109349.db2.gz SVKOQQBXSHYOAS-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420147525 354112849 /nfs/dbraw/zinc/11/28/49/354112849.db2.gz CYJOAYOYNIODCN-UHFFFAOYSA-N 2 1 294.346 -0.503 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CCC[C@@H]([NH3+])C2)CC1 ZINC000420279974 354120842 /nfs/dbraw/zinc/12/08/42/354120842.db2.gz XZRXYNYUUSJTSM-GFCCVEGCSA-N 2 1 254.378 -0.426 20 0 CBADMP CCOC(=O)CC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420294521 354122043 /nfs/dbraw/zinc/12/20/43/354122043.db2.gz OREKPVXSWXXIGU-NSHDSACASA-N 2 1 271.361 -0.274 20 0 CBADMP O=C1CNCCN1[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420309641 354123162 /nfs/dbraw/zinc/12/31/62/354123162.db2.gz OYEZOYFQLLKQBE-KGLIPLIRSA-N 2 1 280.416 -0.118 20 0 CBADMP COC(=O)[C@H](C)C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000420354841 354125288 /nfs/dbraw/zinc/12/52/88/354125288.db2.gz DOQHTPOMHAZCHJ-LLVKDONJSA-N 2 1 271.361 -0.451 20 0 CBADMP C[NH2+]CCC[N@@H+](C)CCC(=O)N(C)CC(=O)OC ZINC000420388232 354126965 /nfs/dbraw/zinc/12/69/65/354126965.db2.gz LLLFZDPRLNLAAQ-UHFFFAOYSA-N 2 1 259.350 -0.451 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C[C@H]1[NH3+] ZINC000423232996 354165940 /nfs/dbraw/zinc/16/59/40/354165940.db2.gz DAMBNIQKEFYXIQ-IJLUTSLNSA-N 2 1 282.388 -0.655 20 0 CBADMP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000423273620 354167335 /nfs/dbraw/zinc/16/73/35/354167335.db2.gz LFXLXJWDGVMOFV-AAEUAGOBSA-N 2 1 294.399 -0.369 20 0 CBADMP C[C@H]1CC[NH2+][C@@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000423333580 354169647 /nfs/dbraw/zinc/16/96/47/354169647.db2.gz RXRBEJMBTIDBJH-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H](C)[NH3+] ZINC000423343458 354170446 /nfs/dbraw/zinc/17/04/46/354170446.db2.gz ZVDQYWXCOYXLAU-OCCSQVGLSA-N 2 1 298.431 -0.114 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@H]1C ZINC000423380226 354173825 /nfs/dbraw/zinc/17/38/25/354173825.db2.gz HDQQMIBLTDNZDQ-LLVKDONJSA-N 2 1 255.362 -0.225 20 0 CBADMP COCC[N@H+]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@H]1C ZINC000423380226 354173826 /nfs/dbraw/zinc/17/38/26/354173826.db2.gz HDQQMIBLTDNZDQ-LLVKDONJSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H](CNC(=O)C1(C)C[NH2+]C1)C[NH+]1CCOCC1 ZINC000423396805 354174734 /nfs/dbraw/zinc/17/47/34/354174734.db2.gz SPVHFOMAQJKLGA-NSHDSACASA-N 2 1 255.362 -0.320 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000423394072 354175036 /nfs/dbraw/zinc/17/50/36/354175036.db2.gz ZLAGWKBZVWXQBH-RYUDHWBXSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423432966 354176726 /nfs/dbraw/zinc/17/67/26/354176726.db2.gz BWLCMORTELBRCA-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000422044308 354142345 /nfs/dbraw/zinc/14/23/45/354142345.db2.gz XLPBOUBCFYIDJG-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000422044308 354142348 /nfs/dbraw/zinc/14/23/48/354142348.db2.gz XLPBOUBCFYIDJG-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000422044308 354142349 /nfs/dbraw/zinc/14/23/49/354142349.db2.gz XLPBOUBCFYIDJG-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000422614460 354150342 /nfs/dbraw/zinc/15/03/42/354150342.db2.gz YREJKAHBMUDXRZ-NNYUYHANSA-N 2 1 252.362 -0.060 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000423483652 354177509 /nfs/dbraw/zinc/17/75/09/354177509.db2.gz SRKHBBCMJLFLRE-RYUDHWBXSA-N 2 1 255.362 -0.051 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000422970865 354158286 /nfs/dbraw/zinc/15/82/86/354158286.db2.gz HHOFYQXMHVPYMW-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000422966750 354158544 /nfs/dbraw/zinc/15/85/44/354158544.db2.gz ANJDKRYEKUMKOQ-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422972965 354158861 /nfs/dbraw/zinc/15/88/61/354158861.db2.gz NGEVKSJNIYEGLK-AGIUHOORSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000423013466 354160692 /nfs/dbraw/zinc/16/06/92/354160692.db2.gz MVFQRBVNKIOSEJ-CYBMUJFWSA-N 2 1 296.415 -0.406 20 0 CBADMP CCS(=O)(=O)N1CC(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423055002 354161605 /nfs/dbraw/zinc/16/16/05/354161605.db2.gz CNTYMQZBJHXNEP-PWSUYJOCSA-N 2 1 275.418 -0.145 20 0 CBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000423138827 354163631 /nfs/dbraw/zinc/16/36/31/354163631.db2.gz YGAJSFGYGSOFGS-GFCCVEGCSA-N 2 1 280.372 -0.900 20 0 CBADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C1 ZINC000423508281 354178601 /nfs/dbraw/zinc/17/86/01/354178601.db2.gz KROKANGPGGSTRX-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC[NH2+]1 ZINC000423519878 354178774 /nfs/dbraw/zinc/17/87/74/354178774.db2.gz JOLFCCWNZIHIFB-NSHDSACASA-N 2 1 282.388 -0.641 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423573795 354180798 /nfs/dbraw/zinc/18/07/98/354180798.db2.gz ZPWBOSKPVKQIJD-UPJWGTAASA-N 2 1 294.399 -0.369 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000423598569 354183050 /nfs/dbraw/zinc/18/30/50/354183050.db2.gz VYJWHNNOSHLDDI-QWHCGFSZSA-N 2 1 296.415 -0.123 20 0 CBADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423627839 354186406 /nfs/dbraw/zinc/18/64/06/354186406.db2.gz VGEXXVQVGOMNQM-HNNXBMFYSA-N 2 1 294.399 -0.638 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423637182 354187840 /nfs/dbraw/zinc/18/78/40/354187840.db2.gz GZQXUTZFMFTSDD-GFCCVEGCSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@H](C)[N@H+]1C ZINC000423651449 354188693 /nfs/dbraw/zinc/18/86/93/354188693.db2.gz VXFABERRJXDXCG-TUAOUCFPSA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000423651449 354188694 /nfs/dbraw/zinc/18/86/94/354188694.db2.gz VXFABERRJXDXCG-TUAOUCFPSA-N 2 1 282.388 -0.513 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423656154 354188972 /nfs/dbraw/zinc/18/89/72/354188972.db2.gz TZQSQGPGGHNXMF-QWHCGFSZSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423653614 354189086 /nfs/dbraw/zinc/18/90/86/354189086.db2.gz ZKCKHQIGZLWYQH-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423656158 354189098 /nfs/dbraw/zinc/18/90/98/354189098.db2.gz TZQSQGPGGHNXMF-STQMWFEESA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000423653440 354189184 /nfs/dbraw/zinc/18/91/84/354189184.db2.gz YXOKPBFWNWZFJQ-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)C[C@H](C)N1 ZINC000423670350 354190096 /nfs/dbraw/zinc/19/00/96/354190096.db2.gz AVQCTDSQDVKBMI-MPZDIEGVSA-N 2 1 296.415 -0.254 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423679232 354190954 /nfs/dbraw/zinc/19/09/54/354190954.db2.gz DJKXQZLIJSQEHD-HNNXBMFYSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C[C@@H](C)[NH2+]1 ZINC000423729717 354195143 /nfs/dbraw/zinc/19/51/43/354195143.db2.gz VHDIUFCBMIXJJJ-UPJWGTAASA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423740505 354195686 /nfs/dbraw/zinc/19/56/86/354195686.db2.gz JDBXJNPURXWTPY-VXGBXAGGSA-N 2 1 282.388 -0.655 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000423790753 354200304 /nfs/dbraw/zinc/20/03/04/354200304.db2.gz ULJGGDHOYOHBCC-NSHDSACASA-N 2 1 299.371 -0.929 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000423857846 354201850 /nfs/dbraw/zinc/20/18/50/354201850.db2.gz BGTGMAIXCCFBGY-NEPJUHHUSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000423857846 354201853 /nfs/dbraw/zinc/20/18/53/354201853.db2.gz BGTGMAIXCCFBGY-NEPJUHHUSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@H](C)[NH3+])[C@H](C)C1 ZINC000423860057 354202419 /nfs/dbraw/zinc/20/24/19/354202419.db2.gz LGAZMWIBBNRRMY-WDEREUQCSA-N 2 1 271.361 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@H](C)[NH3+])[C@H](C)C1 ZINC000423860057 354202423 /nfs/dbraw/zinc/20/24/23/354202423.db2.gz LGAZMWIBBNRRMY-WDEREUQCSA-N 2 1 271.361 -0.181 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000423861931 354202431 /nfs/dbraw/zinc/20/24/31/354202431.db2.gz RCAXYNQYJOVJLY-NEPJUHHUSA-N 2 1 285.388 -0.062 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000423861931 354202435 /nfs/dbraw/zinc/20/24/35/354202435.db2.gz RCAXYNQYJOVJLY-NEPJUHHUSA-N 2 1 285.388 -0.062 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C[NH3+])OC)[C@@H](C)C1 ZINC000423865127 354203044 /nfs/dbraw/zinc/20/30/44/354203044.db2.gz ZZAKDPJFUYXLSB-QWRGUYRKSA-N 2 1 287.360 -0.944 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C[NH3+])OC)[C@@H](C)C1 ZINC000423865127 354203050 /nfs/dbraw/zinc/20/30/50/354203050.db2.gz ZZAKDPJFUYXLSB-QWRGUYRKSA-N 2 1 287.360 -0.944 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423897006 354204066 /nfs/dbraw/zinc/20/40/66/354204066.db2.gz OHFRYOUWVAROMV-VXGBXAGGSA-N 2 1 285.388 -0.062 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423897006 354204070 /nfs/dbraw/zinc/20/40/70/354204070.db2.gz OHFRYOUWVAROMV-VXGBXAGGSA-N 2 1 285.388 -0.062 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1C ZINC000424173297 354214488 /nfs/dbraw/zinc/21/44/88/354214488.db2.gz PGJTZBFCMFIPJQ-AXFHLTTASA-N 2 1 269.345 -0.571 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1C ZINC000424173297 354214492 /nfs/dbraw/zinc/21/44/92/354214492.db2.gz PGJTZBFCMFIPJQ-AXFHLTTASA-N 2 1 269.345 -0.571 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000424174609 354215489 /nfs/dbraw/zinc/21/54/89/354215489.db2.gz MUYMZIYFTUNQPP-CSMHCCOUSA-N 2 1 251.277 -0.538 20 0 CBADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000424181002 354215709 /nfs/dbraw/zinc/21/57/09/354215709.db2.gz QJIVFXSCVFRVQS-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC(C)([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430883272 354250549 /nfs/dbraw/zinc/25/05/49/354250549.db2.gz BZZNGTHBIYDFRM-SNVBAGLBSA-N 2 1 270.377 -0.573 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)COC2C[NH2+]C2)C[N@H+]1C1CC1 ZINC000431027842 354251492 /nfs/dbraw/zinc/25/14/92/354251492.db2.gz YSNMYMVRMDKEFH-NXEZZACHSA-N 2 1 253.346 -0.284 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)CN1CC[NH+](C)CC1 ZINC000431016189 354251695 /nfs/dbraw/zinc/25/16/95/354251695.db2.gz YVUMLOZCEFMTFX-UONOGXRCSA-N 2 1 298.431 -0.635 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)C[NH+]1CCOCC1 ZINC000431048019 354251887 /nfs/dbraw/zinc/25/18/87/354251887.db2.gz YZWUHBMTVGTYBI-QWHCGFSZSA-N 2 1 285.388 -0.551 20 0 CBADMP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000433146494 354252953 /nfs/dbraw/zinc/25/29/53/354252953.db2.gz VMZHLGMSAKKHHJ-OLZOCXBDSA-N 2 1 296.415 -0.360 20 0 CBADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000435873684 354255132 /nfs/dbraw/zinc/25/51/32/354255132.db2.gz FKVRAFZNCYCBJB-CYBMUJFWSA-N 3 1 268.405 -0.260 20 0 CBADMP c1cn([C@H]2CCC[N@H+](CCN3CC[NH2+]CC3)C2)nn1 ZINC000424329508 354222809 /nfs/dbraw/zinc/22/28/09/354222809.db2.gz GPTDYBXYOQDXED-ZDUSSCGKSA-N 2 1 264.377 -0.180 20 0 CBADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+]2C[C@H](O)[C@@H](CC)C2)C[C@H]1O ZINC000447298384 354295029 /nfs/dbraw/zinc/29/50/29/354295029.db2.gz GVLKIEJBSSIUIY-CUZDEVPKSA-N 2 1 286.416 -0.247 20 0 CBADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+]2C[C@H](O)[C@@H](CC)C2)C[C@H]1O ZINC000447298384 354295032 /nfs/dbraw/zinc/29/50/32/354295032.db2.gz GVLKIEJBSSIUIY-CUZDEVPKSA-N 2 1 286.416 -0.247 20 0 CBADMP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2C[C@H](O)[C@@H](CC)C2)C[C@H]1O ZINC000447298384 354295035 /nfs/dbraw/zinc/29/50/35/354295035.db2.gz GVLKIEJBSSIUIY-CUZDEVPKSA-N 2 1 286.416 -0.247 20 0 CBADMP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2C[C@H](O)[C@@H](CC)C2)C[C@H]1O ZINC000447298384 354295039 /nfs/dbraw/zinc/29/50/39/354295039.db2.gz GVLKIEJBSSIUIY-CUZDEVPKSA-N 2 1 286.416 -0.247 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000447436879 354298507 /nfs/dbraw/zinc/29/85/07/354298507.db2.gz AYHYGWBHUOGZIF-RYUDHWBXSA-N 2 1 273.377 -0.423 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444269052 354267451 /nfs/dbraw/zinc/26/74/51/354267451.db2.gz OXMZVCIHAWMQCY-ZFWWWQNUSA-N 2 1 280.416 -0.260 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000454550583 354355702 /nfs/dbraw/zinc/35/57/02/354355702.db2.gz RFUGINRSXDLLQN-NWDGAFQWSA-N 2 1 272.393 -0.044 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)C[NH+]1CCOCC1 ZINC000449339974 354319511 /nfs/dbraw/zinc/31/95/11/354319511.db2.gz ZTUHJQVJQBBERD-JHJVBQTASA-N 2 1 269.389 -0.074 20 0 CBADMP CC[C@H](CO)[N@@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000451161445 354334789 /nfs/dbraw/zinc/33/47/89/354334789.db2.gz YNRHMQRHODMYNR-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[C@H](CO)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000451161445 354334790 /nfs/dbraw/zinc/33/47/90/354334790.db2.gz YNRHMQRHODMYNR-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[C@H](CO)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000451161445 354334791 /nfs/dbraw/zinc/33/47/91/354334791.db2.gz YNRHMQRHODMYNR-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000452389570 354350412 /nfs/dbraw/zinc/35/04/12/354350412.db2.gz MPQFXAWMNPJLEJ-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000452389570 354350414 /nfs/dbraw/zinc/35/04/14/354350414.db2.gz MPQFXAWMNPJLEJ-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000452389570 354350416 /nfs/dbraw/zinc/35/04/16/354350416.db2.gz MPQFXAWMNPJLEJ-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000452389570 354350417 /nfs/dbraw/zinc/35/04/17/354350417.db2.gz MPQFXAWMNPJLEJ-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000459042462 354381996 /nfs/dbraw/zinc/38/19/96/354381996.db2.gz OVFOEWNVQRYUSH-NSHDSACASA-N 2 1 260.382 -0.450 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479279197 354407072 /nfs/dbraw/zinc/40/70/72/354407072.db2.gz IKENJHYZPILXDX-WRWGMCAJSA-N 2 1 253.346 -0.548 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000487130847 354412273 /nfs/dbraw/zinc/41/22/73/354412273.db2.gz PXEVKZQZKULQJG-CQSZACIVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCOCC[NH+](C)C ZINC000487237217 354413153 /nfs/dbraw/zinc/41/31/53/354413153.db2.gz XWPBJUCBFSYDTH-VXGBXAGGSA-N 2 1 257.378 -0.122 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000491904850 354462008 /nfs/dbraw/zinc/46/20/08/354462008.db2.gz LAMZGWBBHOAXLP-ZYOFXKKJSA-N 2 1 255.362 -0.059 20 0 CBADMP C[NH+](C)C/C=C\C(=O)NCCC[NH+]1CCOCC1 ZINC000491893226 354462962 /nfs/dbraw/zinc/46/29/62/354462962.db2.gz OIAJMHZDWIYQQE-HYXAFXHYSA-N 2 1 255.362 -0.057 20 0 CBADMP C[NH+](C)C/C=C\C(=O)NCC[N@H+]1CCCOCC1 ZINC000492016420 354464796 /nfs/dbraw/zinc/46/47/96/354464796.db2.gz OFTIKOUTLWFQPI-HYXAFXHYSA-N 2 1 255.362 -0.057 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496109955 354532762 /nfs/dbraw/zinc/53/27/62/354532762.db2.gz YVACGUGUIJGLRA-QWRGUYRKSA-N 2 1 291.392 -0.616 20 0 CBADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000535431340 354601910 /nfs/dbraw/zinc/60/19/10/354601910.db2.gz CPVZWFQVCDEWRN-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000535431340 354601911 /nfs/dbraw/zinc/60/19/11/354601911.db2.gz CPVZWFQVCDEWRN-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000514864105 354555691 /nfs/dbraw/zinc/55/56/91/354555691.db2.gz QTROHFBGGDLHLM-JSGCOSHPSA-N 2 1 280.416 -0.025 20 0 CBADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000518530723 354558376 /nfs/dbraw/zinc/55/83/76/354558376.db2.gz AJQCELXKZZIGCP-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000519543798 354562440 /nfs/dbraw/zinc/56/24/40/354562440.db2.gz NFVMNULNTQGVJG-CHWSQXEVSA-N 2 1 296.415 -0.297 20 0 CBADMP C[NH2+][C@@H](C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000519611454 354565925 /nfs/dbraw/zinc/56/59/25/354565925.db2.gz LHFMFNJHVXPTGU-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529310102 354583427 /nfs/dbraw/zinc/58/34/27/354583427.db2.gz PAZMLBKAUZBNCQ-MNOVXSKESA-N 2 1 256.350 -0.632 20 0 CBADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529388959 354584793 /nfs/dbraw/zinc/58/47/93/354584793.db2.gz VDBARZDHEVIFIB-VXGBXAGGSA-N 2 1 270.377 -0.290 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3COCC[NH2+]3)C[C@@H]21 ZINC000529390512 354585968 /nfs/dbraw/zinc/58/59/68/354585968.db2.gz VKMWQCIOMURLNH-WOPDTQHZSA-N 2 1 268.361 -0.680 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCNc2cc[nH+]cc2)C1 ZINC000534528776 354597992 /nfs/dbraw/zinc/59/79/92/354597992.db2.gz HOHXWIHHSUJNND-LBPRGKRZSA-N 2 1 264.329 -0.638 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCNc2cc[nH+]cc2)C1 ZINC000534528776 354597995 /nfs/dbraw/zinc/59/79/95/354597995.db2.gz HOHXWIHHSUJNND-LBPRGKRZSA-N 2 1 264.329 -0.638 20 0 CBADMP C[C@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+](C)C1CC1 ZINC000546590834 354653133 /nfs/dbraw/zinc/65/31/33/354653133.db2.gz NUORUXPOCVSKGU-RISCZKNCSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](CNC(=O)NC[C@@]1(O)CC[NH+](C)C1)[N@H+](C)C1CC1 ZINC000546590834 354653136 /nfs/dbraw/zinc/65/31/36/354653136.db2.gz NUORUXPOCVSKGU-RISCZKNCSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](CNC(=O)NC[C@@]1(O)CC[NH+](C)C1)[N@@H+](C)C1CC1 ZINC000546590834 354653139 /nfs/dbraw/zinc/65/31/39/354653139.db2.gz NUORUXPOCVSKGU-RISCZKNCSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+](C)C1CC1 ZINC000546590832 354653391 /nfs/dbraw/zinc/65/33/91/354653391.db2.gz NUORUXPOCVSKGU-BXUZGUMPSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](CNC(=O)NC[C@]1(O)CC[NH+](C)C1)[N@H+](C)C1CC1 ZINC000546590832 354653394 /nfs/dbraw/zinc/65/33/94/354653394.db2.gz NUORUXPOCVSKGU-BXUZGUMPSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](CNC(=O)NC[C@]1(O)CC[NH+](C)C1)[N@@H+](C)C1CC1 ZINC000546590832 354653397 /nfs/dbraw/zinc/65/33/97/354653397.db2.gz NUORUXPOCVSKGU-BXUZGUMPSA-N 2 1 284.404 -0.165 20 0 CBADMP C[NH+]1CCC[C@H]1CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000546591310 354653423 /nfs/dbraw/zinc/65/34/23/354653423.db2.gz ZQZLFFCETFMGCW-WCQYABFASA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000546591310 354653426 /nfs/dbraw/zinc/65/34/26/354653426.db2.gz ZQZLFFCETFMGCW-WCQYABFASA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000546591310 354653428 /nfs/dbraw/zinc/65/34/28/354653428.db2.gz ZQZLFFCETFMGCW-WCQYABFASA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+](C)C1CC1 ZINC000546590833 354653653 /nfs/dbraw/zinc/65/36/53/354653653.db2.gz NUORUXPOCVSKGU-FZMZJTMJSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H](CNC(=O)NC[C@@]1(O)CC[NH+](C)C1)[N@H+](C)C1CC1 ZINC000546590833 354653654 /nfs/dbraw/zinc/65/36/54/354653654.db2.gz NUORUXPOCVSKGU-FZMZJTMJSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H](CNC(=O)NC[C@@]1(O)CC[NH+](C)C1)[N@@H+](C)C1CC1 ZINC000546590833 354653656 /nfs/dbraw/zinc/65/36/56/354653656.db2.gz NUORUXPOCVSKGU-FZMZJTMJSA-N 2 1 284.404 -0.165 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000546590487 354653707 /nfs/dbraw/zinc/65/37/07/354653707.db2.gz BXFBFWMGJTWCQE-IUODEOHRSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000546590487 354653709 /nfs/dbraw/zinc/65/37/09/354653709.db2.gz BXFBFWMGJTWCQE-IUODEOHRSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000546590487 354653711 /nfs/dbraw/zinc/65/37/11/354653711.db2.gz BXFBFWMGJTWCQE-IUODEOHRSA-N 2 1 296.415 -0.164 20 0 CBADMP CO[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000537619168 354611873 /nfs/dbraw/zinc/61/18/73/354611873.db2.gz YMFJHYCKZKIICC-VXGBXAGGSA-N 2 1 283.372 -0.214 20 0 CBADMP CO[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000537619168 354611875 /nfs/dbraw/zinc/61/18/75/354611875.db2.gz YMFJHYCKZKIICC-VXGBXAGGSA-N 2 1 283.372 -0.214 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000562800016 354688447 /nfs/dbraw/zinc/68/84/47/354688447.db2.gz DNYYIHODRZSHEE-NDBYEHHHSA-N 2 1 282.388 -0.386 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000562831825 354688923 /nfs/dbraw/zinc/68/89/23/354688923.db2.gz QKDNVESZOOOWNV-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CCOC1C[NH2+]C1 ZINC000562978845 354690787 /nfs/dbraw/zinc/69/07/87/354690787.db2.gz CTCHAEKFAYYIFS-LBPRGKRZSA-N 2 1 293.371 -0.729 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3COCC[NH2+]3)[C@@H]2C1 ZINC000563085684 354695245 /nfs/dbraw/zinc/69/52/45/354695245.db2.gz WQEKWNCQMATYOS-JHJVBQTASA-N 2 1 267.373 -0.083 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000563117007 354697403 /nfs/dbraw/zinc/69/74/03/354697403.db2.gz RGVNITXEABCISX-UONOGXRCSA-N 2 1 297.399 -0.266 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000563144301 354698714 /nfs/dbraw/zinc/69/87/14/354698714.db2.gz VYUDRXJKOADPIV-QWRGUYRKSA-N 2 1 298.339 -0.675 20 0 CBADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000563150012 354699728 /nfs/dbraw/zinc/69/97/28/354699728.db2.gz SYUMLXOSPCEQAK-CHWSQXEVSA-N 3 1 266.389 -0.508 20 0 CBADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000563150012 354699731 /nfs/dbraw/zinc/69/97/31/354699731.db2.gz SYUMLXOSPCEQAK-CHWSQXEVSA-N 3 1 266.389 -0.508 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563153897 354699865 /nfs/dbraw/zinc/69/98/65/354699865.db2.gz GGZOVGMYESTJOR-QWRGUYRKSA-N 2 1 255.362 -0.062 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563153895 354699997 /nfs/dbraw/zinc/69/99/97/354699997.db2.gz GGZOVGMYESTJOR-MNOVXSKESA-N 2 1 255.362 -0.062 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000563198271 354701963 /nfs/dbraw/zinc/70/19/63/354701963.db2.gz NEOXQXSRUSPDGZ-RYUDHWBXSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H](C)[N@H+]1CCO ZINC000563866514 354707266 /nfs/dbraw/zinc/70/72/66/354707266.db2.gz JDMQROQZUZJEBD-XQQFMLRXSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H](C)[N@@H+]1CCO ZINC000563866514 354707267 /nfs/dbraw/zinc/70/72/67/354707267.db2.gz JDMQROQZUZJEBD-XQQFMLRXSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H](C)[NH+]1CCO ZINC000563866514 354707269 /nfs/dbraw/zinc/70/72/69/354707269.db2.gz JDMQROQZUZJEBD-XQQFMLRXSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H](C)[NH+]1CCO ZINC000563866514 354707270 /nfs/dbraw/zinc/70/72/70/354707270.db2.gz JDMQROQZUZJEBD-XQQFMLRXSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H](C(=O)N(C)[C@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000564656965 354714429 /nfs/dbraw/zinc/71/44/29/354714429.db2.gz OYIVHMKFMYTSNF-RYUDHWBXSA-N 2 1 254.378 -0.557 20 0 CBADMP CSC[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000564855270 354718235 /nfs/dbraw/zinc/71/82/35/354718235.db2.gz DSNNTQLDTPSQKH-NSHDSACASA-N 2 1 275.418 -0.536 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000564957212 354722968 /nfs/dbraw/zinc/72/29/68/354722968.db2.gz FVAJGJNABIALRJ-GWCFXTLKSA-N 2 1 286.351 -0.985 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000564989223 354724478 /nfs/dbraw/zinc/72/44/78/354724478.db2.gz BYUNEPVPAYDTAU-OLZOCXBDSA-N 3 1 268.405 -0.133 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000564989223 354724481 /nfs/dbraw/zinc/72/44/81/354724481.db2.gz BYUNEPVPAYDTAU-OLZOCXBDSA-N 2 1 268.405 -0.133 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000564989223 354724486 /nfs/dbraw/zinc/72/44/86/354724486.db2.gz BYUNEPVPAYDTAU-OLZOCXBDSA-N 2 1 268.405 -0.133 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H](CO)[C@H]1CCOC1)C1CC1 ZINC000565833475 354746748 /nfs/dbraw/zinc/74/67/48/354746748.db2.gz FRYNCFLUJQKTSJ-OUCADQQQSA-N 2 1 272.389 -0.324 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](CO)[C@H]1CCOC1)C1CC1 ZINC000565833475 354746751 /nfs/dbraw/zinc/74/67/51/354746751.db2.gz FRYNCFLUJQKTSJ-OUCADQQQSA-N 2 1 272.389 -0.324 20 0 CBADMP O=C1CC[C@@H]([NH2+][C@H]2CCCNC2)[C@H](C2CC[NH2+]CC2)N1 ZINC000566229709 354758328 /nfs/dbraw/zinc/75/83/28/354758328.db2.gz MANRIYAVPPGLQU-GUTXKFCHSA-N 2 1 280.416 -0.025 20 0 CBADMP O=C1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)[C@H](C2CC[NH2+]CC2)N1 ZINC000566229709 354758330 /nfs/dbraw/zinc/75/83/30/354758330.db2.gz MANRIYAVPPGLQU-GUTXKFCHSA-N 3 1 280.416 -0.025 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+]C1(CO)CCSCC1 ZINC000566428375 354766629 /nfs/dbraw/zinc/76/66/29/354766629.db2.gz DRLLIPFMUCVRQD-GFCCVEGCSA-N 2 1 292.445 -0.227 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1(CO)CCSCC1 ZINC000566428375 354766631 /nfs/dbraw/zinc/76/66/31/354766631.db2.gz DRLLIPFMUCVRQD-GFCCVEGCSA-N 2 1 292.445 -0.227 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000566855833 354776131 /nfs/dbraw/zinc/77/61/31/354776131.db2.gz DUBMHWQTOVPZII-NXEZZACHSA-N 2 1 257.334 -0.665 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000566855833 354776133 /nfs/dbraw/zinc/77/61/33/354776133.db2.gz DUBMHWQTOVPZII-NXEZZACHSA-N 2 1 257.334 -0.665 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000566864347 354776456 /nfs/dbraw/zinc/77/64/56/354776456.db2.gz BTIOMUWWSRAWTE-ZJUUUORDSA-N 2 1 268.361 -0.937 20 0 CBADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000566968549 354777814 /nfs/dbraw/zinc/77/78/14/354777814.db2.gz XRYIZSHKHYDSGN-AWEZNQCLSA-N 2 1 282.388 -0.136 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000567111504 354781507 /nfs/dbraw/zinc/78/15/07/354781507.db2.gz CAKBVNUJMLUZHS-SRVKXCTJSA-N 2 1 283.372 -0.181 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000567165742 354782303 /nfs/dbraw/zinc/78/23/03/354782303.db2.gz WSZIVWFIORPTDL-ZDUSSCGKSA-N 2 1 268.405 -0.118 20 0 CBADMP CCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000565312057 354736471 /nfs/dbraw/zinc/73/64/71/354736471.db2.gz NWAKEROLHBFKBL-MGPQQGTHSA-N 2 1 290.404 -0.291 20 0 CBADMP CCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000565312057 354736473 /nfs/dbraw/zinc/73/64/73/354736473.db2.gz NWAKEROLHBFKBL-MGPQQGTHSA-N 2 1 290.404 -0.291 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000565477723 354739023 /nfs/dbraw/zinc/73/90/23/354739023.db2.gz POZPJGUHSAAFSB-ZDUSSCGKSA-N 2 1 299.415 -0.018 20 0 CBADMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000567875424 354802622 /nfs/dbraw/zinc/80/26/22/354802622.db2.gz DQHRSUNOJGSADZ-CABCVRRESA-N 2 1 296.415 -0.074 20 0 CBADMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000567875427 354802703 /nfs/dbraw/zinc/80/27/03/354802703.db2.gz DQHRSUNOJGSADZ-LSDHHAIUSA-N 2 1 296.415 -0.074 20 0 CBADMP C[N@H+](C[C@@H](O)CN1CCN(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000568167871 354813438 /nfs/dbraw/zinc/81/34/38/354813438.db2.gz QOSVBTZWSCGXCU-CYBMUJFWSA-N 2 1 279.388 -0.013 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CCN(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000568167871 354813440 /nfs/dbraw/zinc/81/34/40/354813440.db2.gz QOSVBTZWSCGXCU-CYBMUJFWSA-N 2 1 279.388 -0.013 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)C1 ZINC000568211614 354815291 /nfs/dbraw/zinc/81/52/91/354815291.db2.gz CXDSVAHDNKYVDP-SMDDNHRTSA-N 2 1 267.373 -0.489 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000568293819 354821040 /nfs/dbraw/zinc/82/10/40/354821040.db2.gz GCKQQEDUIWQFOG-KBPBESRZSA-N 2 1 297.447 -0.079 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000568294476 354821065 /nfs/dbraw/zinc/82/10/65/354821065.db2.gz SUBMGMAXRFXPMC-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CC[NH2+]C2)n1C ZINC000568293560 354821922 /nfs/dbraw/zinc/82/19/22/354821922.db2.gz ALYUIZFVULGTHC-VIFPVBQESA-N 2 1 266.349 -0.353 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000568386302 354822553 /nfs/dbraw/zinc/82/25/53/354822553.db2.gz INAILGYBRWBALO-UHFFFAOYSA-N 2 1 268.405 -0.260 20 0 CBADMP C[C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)N1CC[NH+](C)CC1 ZINC000568514773 354826307 /nfs/dbraw/zinc/82/63/07/354826307.db2.gz SJWRFWOKLMMKPE-ZJUUUORDSA-N 2 1 278.347 -0.279 20 0 CBADMP CS(=O)(=O)NCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000568765704 354831581 /nfs/dbraw/zinc/83/15/81/354831581.db2.gz WFNVTQQSUYRRNJ-PHIMTYICSA-N 2 1 261.391 -0.533 20 0 CBADMP C[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000567711015 354794154 /nfs/dbraw/zinc/79/41/54/354794154.db2.gz XNYPIWFSLKGQPA-HIFRSBDPSA-N 2 1 283.416 -0.081 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000567772275 354796600 /nfs/dbraw/zinc/79/66/00/354796600.db2.gz NAFAXKFRDHRYJK-VXGBXAGGSA-N 2 1 292.387 -0.146 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000262457260 295889826 /nfs/dbraw/zinc/88/98/26/295889826.db2.gz WQQKETNPWQFAQY-NSHDSACASA-N 2 1 270.377 -0.796 20 0 CBADMP C[NH2+][C@H](C(=O)NCCNc1cc[nH+]cc1)c1cnn(C)c1 ZINC000567786816 354797350 /nfs/dbraw/zinc/79/73/50/354797350.db2.gz JGGAXPILGBFQEX-ZDUSSCGKSA-N 2 1 288.355 -0.274 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000571031364 354875737 /nfs/dbraw/zinc/87/57/37/354875737.db2.gz IZYUNEXYCVOXMO-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000569327505 354842881 /nfs/dbraw/zinc/84/28/81/354842881.db2.gz RRLAMFFDTRSJDC-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000569863668 354848179 /nfs/dbraw/zinc/84/81/79/354848179.db2.gz HJVUTJLUNQBQRZ-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CN(C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000570147557 354855985 /nfs/dbraw/zinc/85/59/85/354855985.db2.gz LPKZFEKSDIZYIX-UBHSHLNASA-N 2 1 296.415 -0.023 20 0 CBADMP Cn1cc(C[N@H+](C)CCC[NH+](C)C)c(=O)n(C)c1=O ZINC000570437123 354862308 /nfs/dbraw/zinc/86/23/08/354862308.db2.gz JGYCMCDEEISHLO-UHFFFAOYSA-N 2 1 268.361 -0.533 20 0 CBADMP Cn1cc(C[N@@H+](C)CCC[NH+](C)C)c(=O)n(C)c1=O ZINC000570437123 354862311 /nfs/dbraw/zinc/86/23/11/354862311.db2.gz JGYCMCDEEISHLO-UHFFFAOYSA-N 2 1 268.361 -0.533 20 0 CBADMP O[C@H]1COCC[N@@H+](CCCC[NH+]2CCOC[C@@H](O)C2)C1 ZINC000572031157 354885482 /nfs/dbraw/zinc/88/54/82/354885482.db2.gz DAKYJKMATNOUGX-OKILXGFUSA-N 2 1 288.388 -0.847 20 0 CBADMP O[C@H]1COCC[NH+](CCCC[N@@H+]2CCOC[C@@H](O)C2)C1 ZINC000572031157 354885486 /nfs/dbraw/zinc/88/54/86/354885486.db2.gz DAKYJKMATNOUGX-OKILXGFUSA-N 2 1 288.388 -0.847 20 0 CBADMP O[C@H]1COCC[NH+](CCCC[N@H+]2CCOC[C@@H](O)C2)C1 ZINC000572031157 354885489 /nfs/dbraw/zinc/88/54/89/354885489.db2.gz DAKYJKMATNOUGX-OKILXGFUSA-N 2 1 288.388 -0.847 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)C[N@H+]1C1CC1 ZINC000572719348 354895608 /nfs/dbraw/zinc/89/56/08/354895608.db2.gz XFMFUGZKYVOQRB-WDEREUQCSA-N 2 1 292.387 -0.018 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572736049 354896735 /nfs/dbraw/zinc/89/67/35/354896735.db2.gz IORUWRVNXCEJRE-XQHKEYJVSA-N 2 1 294.399 -0.370 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)N(C)C)C1 ZINC000572982205 354901648 /nfs/dbraw/zinc/90/16/48/354901648.db2.gz OFVQGJMFHLNNIY-RYUDHWBXSA-N 2 1 257.378 -0.291 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)N(C)C)C1 ZINC000572982205 354901650 /nfs/dbraw/zinc/90/16/50/354901650.db2.gz OFVQGJMFHLNNIY-RYUDHWBXSA-N 2 1 257.378 -0.291 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000572982205 354901653 /nfs/dbraw/zinc/90/16/53/354901653.db2.gz OFVQGJMFHLNNIY-RYUDHWBXSA-N 2 1 257.378 -0.291 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000572982205 354901656 /nfs/dbraw/zinc/90/16/56/354901656.db2.gz OFVQGJMFHLNNIY-RYUDHWBXSA-N 2 1 257.378 -0.291 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000573019244 354903703 /nfs/dbraw/zinc/90/37/03/354903703.db2.gz RHPSFBWVRGDSOY-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000573075190 354904008 /nfs/dbraw/zinc/90/40/08/354904008.db2.gz NDOFPTVPUAOSIZ-CHWSQXEVSA-N 2 1 294.399 -0.449 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000573124285 354906164 /nfs/dbraw/zinc/90/61/64/354906164.db2.gz YJGVZIMWZMDOAQ-AXFHLTTASA-N 2 1 269.345 -0.380 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000573124285 354906168 /nfs/dbraw/zinc/90/61/68/354906168.db2.gz YJGVZIMWZMDOAQ-AXFHLTTASA-N 2 1 269.345 -0.380 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000573217025 354907694 /nfs/dbraw/zinc/90/76/94/354907694.db2.gz XRGKGWDAQXBKPP-KOLCDFICSA-N 2 1 266.345 -0.604 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000573217027 354907779 /nfs/dbraw/zinc/90/77/79/354907779.db2.gz XRGKGWDAQXBKPP-ONGXEEELSA-N 2 1 266.345 -0.604 20 0 CBADMP CN1CCN(C(=O)CC[N@@H+](C)C2CC[NH2+]CC2)CC1 ZINC000573249823 354909151 /nfs/dbraw/zinc/90/91/51/354909151.db2.gz FMVSNVCVQRJZNQ-UHFFFAOYSA-N 3 1 268.405 -0.166 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N[C@H]1CC[NH2+]C1 ZINC000573507449 354915553 /nfs/dbraw/zinc/91/55/53/354915553.db2.gz YRVBNFHBNCKCKP-QJPTWQEYSA-N 2 1 280.372 -0.793 20 0 CBADMP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000573594028 354916216 /nfs/dbraw/zinc/91/62/16/354916216.db2.gz IDQRLLBVILRGDO-ZDUSSCGKSA-N 2 1 294.399 -0.367 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000571891135 354883127 /nfs/dbraw/zinc/88/31/27/354883127.db2.gz LRQXSXSLJMYRSM-DTWKUNHWSA-N 2 1 263.288 -0.440 20 0 CBADMP COCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000574200850 354930670 /nfs/dbraw/zinc/93/06/70/354930670.db2.gz ACLBNVCJMLHMEO-CQSZACIVSA-N 2 1 299.415 -0.018 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000575123748 354934472 /nfs/dbraw/zinc/93/44/72/354934472.db2.gz WMCSRPXKRNYOOJ-NNYUYHANSA-N 2 1 296.415 -0.030 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000578306473 354943157 /nfs/dbraw/zinc/94/31/57/354943157.db2.gz LBIALCUORZTACR-STQMWFEESA-N 2 1 282.388 -0.388 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000578533310 354948884 /nfs/dbraw/zinc/94/88/84/354948884.db2.gz BQXWNXJQESSDAC-LBPRGKRZSA-N 3 1 272.393 -0.719 20 0 CBADMP CC(C)[NH2+]CCC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000579112825 354962450 /nfs/dbraw/zinc/96/24/50/354962450.db2.gz LLTLRJPCEBVXTJ-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP OCC[C@@H]1CSCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000579122712 354962839 /nfs/dbraw/zinc/96/28/39/354962839.db2.gz JJTNZTJGGNNZQL-GFCCVEGCSA-N 2 1 259.419 -0.309 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000343897611 291048969 /nfs/dbraw/zinc/04/89/69/291048969.db2.gz XIYLUHUAFZUXRT-WOPDTQHZSA-N 2 1 283.372 -0.038 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@H]3CCSC3)CCN2C1=O ZINC000579259612 354967365 /nfs/dbraw/zinc/96/73/65/354967365.db2.gz XWULAFZTZYYHPO-GMTAPVOTSA-N 2 1 255.387 -0.017 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579370330 354968920 /nfs/dbraw/zinc/96/89/20/354968920.db2.gz FSQNLESYHYTTOD-CHWSQXEVSA-N 2 1 268.405 -0.038 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000579370330 354968922 /nfs/dbraw/zinc/96/89/22/354968922.db2.gz FSQNLESYHYTTOD-CHWSQXEVSA-N 3 1 268.405 -0.038 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000579370330 354968925 /nfs/dbraw/zinc/96/89/25/354968925.db2.gz FSQNLESYHYTTOD-CHWSQXEVSA-N 3 1 268.405 -0.038 20 0 CBADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000579488896 354972200 /nfs/dbraw/zinc/97/22/00/354972200.db2.gz AJMHJAYCSSIGAH-UPJWGTAASA-N 2 1 287.404 -0.570 20 0 CBADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000579488896 354972202 /nfs/dbraw/zinc/97/22/02/354972202.db2.gz AJMHJAYCSSIGAH-UPJWGTAASA-N 2 1 287.404 -0.570 20 0 CBADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000579488895 354972233 /nfs/dbraw/zinc/97/22/33/354972233.db2.gz AJMHJAYCSSIGAH-JHJVBQTASA-N 2 1 287.404 -0.570 20 0 CBADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000579488895 354972235 /nfs/dbraw/zinc/97/22/35/354972235.db2.gz AJMHJAYCSSIGAH-JHJVBQTASA-N 2 1 287.404 -0.570 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000580952120 355002827 /nfs/dbraw/zinc/00/28/27/355002827.db2.gz ISWMRTBBJZJNMR-NSHDSACASA-N 2 1 263.407 -0.014 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000580952120 355002831 /nfs/dbraw/zinc/00/28/31/355002831.db2.gz ISWMRTBBJZJNMR-NSHDSACASA-N 2 1 263.407 -0.014 20 0 CBADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cn1ccnc1 ZINC000579719753 354977954 /nfs/dbraw/zinc/97/79/54/354977954.db2.gz IBRFIXUALSTDDE-RYUDHWBXSA-N 2 1 266.345 -0.203 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cn1ccnc1 ZINC000579719756 354978137 /nfs/dbraw/zinc/97/81/37/354978137.db2.gz IBRFIXUALSTDDE-VXGBXAGGSA-N 2 1 266.345 -0.203 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC(C(=O)NC)CC1 ZINC000579727316 354978143 /nfs/dbraw/zinc/97/81/43/354978143.db2.gz FQDCMRAPYZMQSI-GFCCVEGCSA-N 2 1 257.378 -0.243 20 0 CBADMP CCN(C)C[C@@H](O)C[NH+]1CCC(C(=O)NC)CC1 ZINC000579727316 354978144 /nfs/dbraw/zinc/97/81/44/354978144.db2.gz FQDCMRAPYZMQSI-GFCCVEGCSA-N 2 1 257.378 -0.243 20 0 CBADMP COCC[NH2+]C1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000579967221 354985013 /nfs/dbraw/zinc/98/50/13/354985013.db2.gz YZJSSMUUFVZXOB-LLVKDONJSA-N 2 1 273.402 -0.124 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000580201229 354990770 /nfs/dbraw/zinc/99/07/70/354990770.db2.gz CJCAJVGODMKEOS-TUAOUCFPSA-N 2 1 255.362 -0.049 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000580292270 354991971 /nfs/dbraw/zinc/99/19/71/354991971.db2.gz UYMZLGCJWUJMLT-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000580323834 354993613 /nfs/dbraw/zinc/99/36/13/354993613.db2.gz LRAIGPGNUUYBOW-SDDRHHMPSA-N 2 1 271.409 -0.343 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C1(C)C[NH2+]C1 ZINC000580323331 354993677 /nfs/dbraw/zinc/99/36/77/354993677.db2.gz SOYJSQYUMFVHFV-UHFFFAOYSA-N 2 1 268.405 -0.308 20 0 CBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000580942754 355001469 /nfs/dbraw/zinc/00/14/69/355001469.db2.gz ZYJUPBBEJCFBOZ-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000584871584 355040848 /nfs/dbraw/zinc/04/08/48/355040848.db2.gz HZLLJKPJOVOBFT-BXUZGUMPSA-N 2 1 282.388 -0.411 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000584871584 355040850 /nfs/dbraw/zinc/04/08/50/355040850.db2.gz HZLLJKPJOVOBFT-BXUZGUMPSA-N 2 1 282.388 -0.411 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000584871584 355040853 /nfs/dbraw/zinc/04/08/53/355040853.db2.gz HZLLJKPJOVOBFT-BXUZGUMPSA-N 2 1 282.388 -0.411 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000581368354 355005466 /nfs/dbraw/zinc/00/54/66/355005466.db2.gz BYYATIQTIULSKF-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP COC(=O)C[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000583565479 355020140 /nfs/dbraw/zinc/02/01/40/355020140.db2.gz ZZAXMAZUTBNBML-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP COC(=O)C[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000583565478 355020164 /nfs/dbraw/zinc/02/01/64/355020164.db2.gz ZZAXMAZUTBNBML-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000583872465 355024248 /nfs/dbraw/zinc/02/42/48/355024248.db2.gz JXYRMNPUQUCUQU-STQMWFEESA-N 2 1 268.405 -0.180 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000583872465 355024250 /nfs/dbraw/zinc/02/42/50/355024250.db2.gz JXYRMNPUQUCUQU-STQMWFEESA-N 3 1 268.405 -0.180 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000583872465 355024253 /nfs/dbraw/zinc/02/42/53/355024253.db2.gz JXYRMNPUQUCUQU-STQMWFEESA-N 3 1 268.405 -0.180 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000583937754 355025267 /nfs/dbraw/zinc/02/52/67/355025267.db2.gz ZYWAOUVJQJGODX-NWDGAFQWSA-N 2 1 255.362 -0.348 20 0 CBADMP NC(=O)NC(=O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000591726571 355111235 /nfs/dbraw/zinc/11/12/35/355111235.db2.gz PSTMUFPMFSHAOP-VHSXEESVSA-N 2 1 254.334 -0.212 20 0 CBADMP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000591726569 355111446 /nfs/dbraw/zinc/11/14/46/355111446.db2.gz PSTMUFPMFSHAOP-NXEZZACHSA-N 2 1 254.334 -0.212 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@H](C)[NH+](C)C)CC[N@H+](C)C1 ZINC000591225050 355093727 /nfs/dbraw/zinc/09/37/27/355093727.db2.gz ICBVJKWVGOYJRW-WDEREUQCSA-N 2 1 271.361 -0.500 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)[C@H](C)[NH+](C)C)CC[N@@H+](C)C1 ZINC000591225050 355093729 /nfs/dbraw/zinc/09/37/29/355093729.db2.gz ICBVJKWVGOYJRW-WDEREUQCSA-N 2 1 271.361 -0.500 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000592471536 355155665 /nfs/dbraw/zinc/15/56/65/355155665.db2.gz YDWADRDPFPONDJ-SNVBAGLBSA-N 2 1 257.334 -0.712 20 0 CBADMP NC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492179 355158354 /nfs/dbraw/zinc/15/83/54/355158354.db2.gz USCZOBZLSOQNEY-GHMZBOCLSA-N 2 1 268.361 -0.107 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000592960361 355187969 /nfs/dbraw/zinc/18/79/69/355187969.db2.gz YVROBXPGWJENRI-QJPTWQEYSA-N 2 1 283.372 -0.038 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000592960361 355187970 /nfs/dbraw/zinc/18/79/70/355187970.db2.gz YVROBXPGWJENRI-QJPTWQEYSA-N 2 1 283.372 -0.038 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593731548 355217652 /nfs/dbraw/zinc/21/76/52/355217652.db2.gz ZTQFUZVFIBEFAB-IJLUTSLNSA-N 2 1 298.387 -0.068 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@H+]1C ZINC000594877965 355267137 /nfs/dbraw/zinc/26/71/37/355267137.db2.gz ITOWAGBRVOUPGX-DDHJBXDOSA-N 2 1 280.372 -0.903 20 0 CBADMP COC(=O)CCN1CCC[C@@H]([N@H+](C)CCC[NH3+])C1=O ZINC000595889764 355314396 /nfs/dbraw/zinc/31/43/96/355314396.db2.gz CDRYOSGCIHIJLH-LLVKDONJSA-N 2 1 271.361 -0.179 20 0 CBADMP COC(=O)CCN1CCC[C@@H]([N@@H+](C)CCC[NH3+])C1=O ZINC000595889764 355314398 /nfs/dbraw/zinc/31/43/98/355314398.db2.gz CDRYOSGCIHIJLH-LLVKDONJSA-N 2 1 271.361 -0.179 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+](C)CCC[NH3+])C1=O ZINC000595891053 355314484 /nfs/dbraw/zinc/31/44/84/355314484.db2.gz JVRZQDQVCMVTSX-JTQLQIEISA-N 2 1 257.334 -0.569 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@@H+](C)CCC[NH3+])C1=O ZINC000595891053 355314486 /nfs/dbraw/zinc/31/44/86/355314486.db2.gz JVRZQDQVCMVTSX-JTQLQIEISA-N 2 1 257.334 -0.569 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C1=O ZINC000595894630 355315653 /nfs/dbraw/zinc/31/56/53/355315653.db2.gz VBBAWMCLLLDIDT-TUAOUCFPSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C1=O ZINC000595894630 355315657 /nfs/dbraw/zinc/31/56/57/355315657.db2.gz VBBAWMCLLLDIDT-TUAOUCFPSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000595894976 355315830 /nfs/dbraw/zinc/31/58/30/355315830.db2.gz ZTEQTKJEGYCKPE-GHMZBOCLSA-N 2 1 269.345 -0.569 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000595894976 355315831 /nfs/dbraw/zinc/31/58/31/355315831.db2.gz ZTEQTKJEGYCKPE-GHMZBOCLSA-N 2 1 269.345 -0.569 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@H]1C ZINC000595958012 355329067 /nfs/dbraw/zinc/32/90/67/355329067.db2.gz XXVPLWNOVLECCG-IJLUTSLNSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@H]1C ZINC000595958012 355329071 /nfs/dbraw/zinc/32/90/71/355329071.db2.gz XXVPLWNOVLECCG-IJLUTSLNSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420398979 291065427 /nfs/dbraw/zinc/06/54/27/291065427.db2.gz HHVQUHWDNLEHDG-RYUDHWBXSA-N 2 1 285.388 -0.075 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420312007 291065013 /nfs/dbraw/zinc/06/50/13/291065013.db2.gz HNDHMEXANOBMEY-GHMZBOCLSA-N 2 1 271.361 -0.323 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598684801 355449863 /nfs/dbraw/zinc/44/98/63/355449863.db2.gz ZEHPOODNVCFAFS-CABZTGNLSA-N 2 1 254.334 -0.355 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598684801 355449865 /nfs/dbraw/zinc/44/98/65/355449865.db2.gz ZEHPOODNVCFAFS-CABZTGNLSA-N 2 1 254.334 -0.355 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598680447 355449881 /nfs/dbraw/zinc/44/98/81/355449881.db2.gz BVCPOCNNUUOFNX-FZMZJTMJSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598680447 355449883 /nfs/dbraw/zinc/44/98/83/355449883.db2.gz BVCPOCNNUUOFNX-FZMZJTMJSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[N@@H+](C)C1 ZINC000598793229 355455189 /nfs/dbraw/zinc/45/51/89/355455189.db2.gz XRNWOMKOKYBORR-ZDUSSCGKSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)CCCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000600707342 355562212 /nfs/dbraw/zinc/56/22/12/355562212.db2.gz YHGLBFMKSFSRCK-UHFFFAOYSA-N 2 1 271.361 -0.307 20 0 CBADMP COC(=O)CCCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000600712032 355562298 /nfs/dbraw/zinc/56/22/98/355562298.db2.gz VOHYPKMXEHGLLO-MNOVXSKESA-N 2 1 269.345 -0.427 20 0 CBADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000601325535 355585390 /nfs/dbraw/zinc/58/53/90/355585390.db2.gz KVCVBQRDIIJTDV-IRCOFANPSA-N 2 1 253.346 -0.345 20 0 CBADMP COC(=O)CCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000600712594 355562948 /nfs/dbraw/zinc/56/29/48/355562948.db2.gz YTGCWGVJKFRJLD-WDEREUQCSA-N 2 1 271.361 -0.214 20 0 CBADMP CC(C)CNC(=O)NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000600734435 355563839 /nfs/dbraw/zinc/56/38/39/355563839.db2.gz PLFIJUVPDPCNGI-UHFFFAOYSA-N 2 1 274.365 -0.625 20 0 CBADMP CC(C)CNC(=O)NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000600734435 355563842 /nfs/dbraw/zinc/56/38/42/355563842.db2.gz PLFIJUVPDPCNGI-UHFFFAOYSA-N 2 1 274.365 -0.625 20 0 CBADMP C[N@H+](CCOCC[NH3+])CC(=O)NC(=O)NC1CCCC1 ZINC000600735499 355563965 /nfs/dbraw/zinc/56/39/65/355563965.db2.gz VAELVBZKMPAOJN-UHFFFAOYSA-N 2 1 286.376 -0.338 20 0 CBADMP C[N@@H+](CCOCC[NH3+])CC(=O)NC(=O)NC1CCCC1 ZINC000600735499 355563968 /nfs/dbraw/zinc/56/39/68/355563968.db2.gz VAELVBZKMPAOJN-UHFFFAOYSA-N 2 1 286.376 -0.338 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000600737710 355563983 /nfs/dbraw/zinc/56/39/83/355563983.db2.gz WMVGVAYVTVYOMO-TUAOUCFPSA-N 2 1 256.346 -0.016 20 0 CBADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000600734610 355564150 /nfs/dbraw/zinc/56/41/50/355564150.db2.gz HYGPYEFARUPPSP-LLVKDONJSA-N 2 1 288.392 -0.236 20 0 CBADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)NC(N)=O)C2 ZINC000600745300 355564375 /nfs/dbraw/zinc/56/43/75/355564375.db2.gz FFJHRLXBTLLICF-TXEJJXNPSA-N 2 1 254.334 -0.497 20 0 CBADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCC(=O)NC(N)=O)C2 ZINC000600745300 355564378 /nfs/dbraw/zinc/56/43/78/355564378.db2.gz FFJHRLXBTLLICF-TXEJJXNPSA-N 2 1 254.334 -0.497 20 0 CBADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000600942487 355571158 /nfs/dbraw/zinc/57/11/58/355571158.db2.gz IUFPZQDCMAIBAR-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H](CNC(=O)CN1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000600992443 355574914 /nfs/dbraw/zinc/57/49/14/355574914.db2.gz RVOUKYNWBBYNEQ-GFCCVEGCSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H](CNC(=O)CN1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000600992443 355574918 /nfs/dbraw/zinc/57/49/18/355574918.db2.gz RVOUKYNWBBYNEQ-GFCCVEGCSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000602021605 355625530 /nfs/dbraw/zinc/62/55/30/355625530.db2.gz QBRBGDXOUZPRLV-IJLUTSLNSA-N 3 1 254.378 -0.539 20 0 CBADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000602021605 355625531 /nfs/dbraw/zinc/62/55/31/355625531.db2.gz QBRBGDXOUZPRLV-IJLUTSLNSA-N 3 1 254.378 -0.539 20 0 CBADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000602021608 355626077 /nfs/dbraw/zinc/62/60/77/355626077.db2.gz QBRBGDXOUZPRLV-WOPDTQHZSA-N 3 1 254.378 -0.539 20 0 CBADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000602021608 355626079 /nfs/dbraw/zinc/62/60/79/355626079.db2.gz QBRBGDXOUZPRLV-WOPDTQHZSA-N 3 1 254.378 -0.539 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CC[N@H+](C)C1 ZINC000602161623 355636408 /nfs/dbraw/zinc/63/64/08/355636408.db2.gz ICBVJKWVGOYJRW-MNOVXSKESA-N 2 1 271.361 -0.500 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CC[N@@H+](C)C1 ZINC000602161623 355636410 /nfs/dbraw/zinc/63/64/10/355636410.db2.gz ICBVJKWVGOYJRW-MNOVXSKESA-N 2 1 271.361 -0.500 20 0 CBADMP CCCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603434880 355716254 /nfs/dbraw/zinc/71/62/54/355716254.db2.gz UFYZNDPBLXZHMH-BDAKNGLRSA-N 2 1 256.350 -0.062 20 0 CBADMP C[C@@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000612887598 355854861 /nfs/dbraw/zinc/85/48/61/355854861.db2.gz QREZKGDAPIXEDN-DZGCQCFKSA-N 2 1 297.447 -0.079 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000612979701 355858452 /nfs/dbraw/zinc/85/84/52/355858452.db2.gz IYHUHPFGBZTFOO-FZMZJTMJSA-N 2 1 282.388 -0.506 20 0 CBADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000614067329 355933025 /nfs/dbraw/zinc/93/30/25/355933025.db2.gz FOIMYMYMBFJENM-OAHLLOKOSA-N 2 1 298.431 -0.851 20 0 CBADMP C[NH+](C)C[C@@H](CO)NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000614845393 355988302 /nfs/dbraw/zinc/98/83/02/355988302.db2.gz CNXHBWHGLNXECG-QWRGUYRKSA-N 2 1 275.418 -0.538 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)[NH+](C)C ZINC000614505820 355965745 /nfs/dbraw/zinc/96/57/45/355965745.db2.gz BCJRNPNTOIHWDD-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000614505810 355965938 /nfs/dbraw/zinc/96/59/38/355965938.db2.gz BADSEKBYWSAUHC-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614505810 355965939 /nfs/dbraw/zinc/96/59/39/355965939.db2.gz BADSEKBYWSAUHC-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614505810 355965940 /nfs/dbraw/zinc/96/59/40/355965940.db2.gz BADSEKBYWSAUHC-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)C(N)=O ZINC000617506936 356138977 /nfs/dbraw/zinc/13/89/77/356138977.db2.gz CSRVLSILQBGNDC-NSHDSACASA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)C(N)=O ZINC000617506936 356138982 /nfs/dbraw/zinc/13/89/82/356138982.db2.gz CSRVLSILQBGNDC-NSHDSACASA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000617504013 356138998 /nfs/dbraw/zinc/13/89/98/356138998.db2.gz FDTMABODHBWTHP-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000617504013 356139001 /nfs/dbraw/zinc/13/90/01/356139001.db2.gz FDTMABODHBWTHP-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1cnnn1 ZINC000617503566 356139404 /nfs/dbraw/zinc/13/94/04/356139404.db2.gz OSDHJVCWTFIKIA-NSHDSACASA-N 2 1 283.380 -0.939 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1cnnn1 ZINC000617503566 356139406 /nfs/dbraw/zinc/13/94/06/356139406.db2.gz OSDHJVCWTFIKIA-NSHDSACASA-N 2 1 283.380 -0.939 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1COCCO1 ZINC000617504101 356139590 /nfs/dbraw/zinc/13/95/90/356139590.db2.gz HIAHZIAOZPKUBB-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1COCCO1 ZINC000617504101 356139593 /nfs/dbraw/zinc/13/95/93/356139593.db2.gz HIAHZIAOZPKUBB-STQMWFEESA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000617502092 356139640 /nfs/dbraw/zinc/13/96/40/356139640.db2.gz BTOCCSSIVDHASM-RYUDHWBXSA-N 2 1 299.419 -0.602 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000617502092 356139642 /nfs/dbraw/zinc/13/96/42/356139642.db2.gz BTOCCSSIVDHASM-RYUDHWBXSA-N 2 1 299.419 -0.602 20 0 CBADMP C[C@H](C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)N1CC[NH+](C)CC1 ZINC000621698805 356280985 /nfs/dbraw/zinc/28/09/85/356280985.db2.gz GGDJMGZFEVFLOC-NFAWXSAZSA-N 2 1 280.416 -0.038 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621699005 356281980 /nfs/dbraw/zinc/28/19/80/356281980.db2.gz JXZAUKGLGMOAMX-DCQANWLSSA-N 2 1 253.346 -0.297 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000622003952 356298993 /nfs/dbraw/zinc/29/89/93/356298993.db2.gz IFMNFOWONKIANZ-VNHYZAJKSA-N 3 1 280.416 -0.003 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](CN2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000622003952 356298994 /nfs/dbraw/zinc/29/89/94/356298994.db2.gz IFMNFOWONKIANZ-VNHYZAJKSA-N 2 1 280.416 -0.003 20 0 CBADMP C[NH+](C)C1CC(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000622009348 356299023 /nfs/dbraw/zinc/29/90/23/356299023.db2.gz SZAQAGAPCDXMPX-BPCQOVAHSA-N 2 1 266.389 -0.415 20 0 CBADMP C[N@@H+]1CC[C@@H]([NH2+]CCNS(C)(=O)=O)CC1(C)C ZINC000623379249 356362678 /nfs/dbraw/zinc/36/26/78/356362678.db2.gz FZRANHWLVRAUBH-SNVBAGLBSA-N 2 1 263.407 -0.002 20 0 CBADMP C[N@H+]1CC[C@@H]([NH2+]CCNS(C)(=O)=O)CC1(C)C ZINC000623379249 356362680 /nfs/dbraw/zinc/36/26/80/356362680.db2.gz FZRANHWLVRAUBH-SNVBAGLBSA-N 2 1 263.407 -0.002 20 0 CBADMP CC[N@@H+](CCNc1nc(N)[nH+]c(N)n1)CCC(F)(F)F ZINC000624157456 356400023 /nfs/dbraw/zinc/40/00/23/356400023.db2.gz LXOOGXYUGARWOU-UHFFFAOYSA-N 2 1 293.297 -0.195 20 0 CBADMP Nc1nc(N)[nH+]c(NCCC[NH2+]C2CCCCC2)n1 ZINC000623843694 356378539 /nfs/dbraw/zinc/37/85/39/356378539.db2.gz UNFMPJMEZCURRD-UHFFFAOYSA-N 2 1 265.365 -0.157 20 0 CBADMP CC[NH+](CC)C[C@@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624005362 356388056 /nfs/dbraw/zinc/38/80/56/356388056.db2.gz OUHZHZKANLSJHB-VIFPVBQESA-N 2 1 265.365 -0.135 20 0 CBADMP CC[NH+](CC)CCO[C@@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624014042 356388954 /nfs/dbraw/zinc/38/89/54/356388954.db2.gz PUPHLUYVZBDSCB-SNVBAGLBSA-N 2 1 295.391 -0.366 20 0 CBADMP Nc1nc(N)[nH+]c(NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000624022515 356389504 /nfs/dbraw/zinc/38/95/04/356389504.db2.gz RQRGCLKJECGQLH-UHFFFAOYSA-N 2 1 277.376 -0.062 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1nc(N)[nH+]c(N)n1 ZINC000624024287 356390253 /nfs/dbraw/zinc/39/02/53/356390253.db2.gz CENMGEMHCIFOAI-YUMQZZPRSA-N 2 1 251.338 -0.527 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624032598 356390939 /nfs/dbraw/zinc/39/09/39/356390939.db2.gz RTAMIJAGJKMXOH-SECBINFHSA-N 2 1 265.365 -0.492 20 0 CBADMP CC(C)C[N@@H+]1CC[C@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624032598 356390940 /nfs/dbraw/zinc/39/09/40/356390940.db2.gz RTAMIJAGJKMXOH-SECBINFHSA-N 2 1 265.365 -0.492 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624032598 356390944 /nfs/dbraw/zinc/39/09/44/356390944.db2.gz RTAMIJAGJKMXOH-SECBINFHSA-N 2 1 265.365 -0.492 20 0 CBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2c2nc(N)[nH+]c(N)n2)C1 ZINC000624050128 356391925 /nfs/dbraw/zinc/39/19/25/356391925.db2.gz ZLKOPOHPACYNAT-BDAKNGLRSA-N 2 1 263.349 -0.383 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(c3nc(N)[nH+]c(N)n3)CC[C@H]21 ZINC000624041343 356392730 /nfs/dbraw/zinc/39/27/30/356392730.db2.gz QVLGEOHPLKISNG-RKDXNWHRSA-N 2 1 263.349 -0.383 20 0 CBADMP CC[N@H+]1C[C@H](C)N(c2nc(N)[nH+]c(N)n2)C[C@H]1C ZINC000624075551 356394850 /nfs/dbraw/zinc/39/48/50/356394850.db2.gz KVBNESSGOJIEIC-SFYZADRCSA-N 2 1 251.338 -0.384 20 0 CBADMP CC[N@H+]1C[C@H](C)N(c2nc(N)[nH+]c(N)n2)C[C@@H]1C ZINC000624075552 356395307 /nfs/dbraw/zinc/39/53/07/356395307.db2.gz KVBNESSGOJIEIC-YUMQZZPRSA-N 2 1 251.338 -0.384 20 0 CBADMP CC(C)(CNc1nc(N)nc(N)[nH+]1)C[NH+]1CCCC1 ZINC000624154999 356399489 /nfs/dbraw/zinc/39/94/89/356399489.db2.gz CFAWRTGIPAOXKE-UHFFFAOYSA-N 2 1 265.365 -0.347 20 0 CBADMP C[N@H+]1CCCC[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624536774 356425492 /nfs/dbraw/zinc/42/54/92/356425492.db2.gz BWDUBWVZOHMNDB-QMMMGPOBSA-N 2 1 251.338 -0.738 20 0 CBADMP C[N@@H+]1CCCC[C@@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624536774 356425499 /nfs/dbraw/zinc/42/54/99/356425499.db2.gz BWDUBWVZOHMNDB-QMMMGPOBSA-N 2 1 251.338 -0.738 20 0 CBADMP C[N@H+]1CCCC[C@@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624536774 356425504 /nfs/dbraw/zinc/42/55/04/356425504.db2.gz BWDUBWVZOHMNDB-QMMMGPOBSA-N 2 1 251.338 -0.738 20 0 CBADMP CCCC[N@@H+](C)C[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624229711 356404807 /nfs/dbraw/zinc/40/48/07/356404807.db2.gz ASRLNXVIHQHCKF-QMMMGPOBSA-N 2 1 253.354 -0.349 20 0 CBADMP Nc1nc(N)[nH+]c(NCCCCC[NH+]2CCCC2)n1 ZINC000624246614 356406149 /nfs/dbraw/zinc/40/61/49/356406149.db2.gz VRBSDMYYZWKOGB-UHFFFAOYSA-N 2 1 265.365 -0.203 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000626248733 356521317 /nfs/dbraw/zinc/52/13/17/356521317.db2.gz YHPQMNIFGOPHBP-LBPRGKRZSA-N 2 1 254.334 -0.380 20 0 CBADMP CN(CCOCC[NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000626978906 356562422 /nfs/dbraw/zinc/56/24/22/356562422.db2.gz MQDDCRMJXWEOOO-NSHDSACASA-N 2 1 270.377 -0.160 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626939027 356557711 /nfs/dbraw/zinc/55/77/11/356557711.db2.gz PKQCPKHYOYJBDI-GFCCVEGCSA-N 2 1 288.392 -0.758 20 0 CBADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000626938004 356557987 /nfs/dbraw/zinc/55/79/87/356557987.db2.gz LROOCKNYRXVPRU-XQQFMLRXSA-N 2 1 282.388 -0.099 20 0 CBADMP CCN(CC[NH3+])C(=O)NCCC[N@@H+](C)CCOC ZINC000626939206 356558122 /nfs/dbraw/zinc/55/81/22/356558122.db2.gz VUSCWIJKCSJVDL-UHFFFAOYSA-N 2 1 260.382 -0.055 20 0 CBADMP CC[N@@H+](CCNC(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000626964951 356560917 /nfs/dbraw/zinc/56/09/17/356560917.db2.gz MRRNMJRVKLQEQU-LLVKDONJSA-N 2 1 270.377 -0.242 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[NH2+]1 ZINC000626974629 356561492 /nfs/dbraw/zinc/56/14/92/356561492.db2.gz JPGIGVNINXNPEN-JHJVBQTASA-N 2 1 283.420 -0.328 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)NC[C@H]1COCC[NH2+]1 ZINC000626976750 356561539 /nfs/dbraw/zinc/56/15/39/356561539.db2.gz OHWNASKYFMGRQO-NSHDSACASA-N 2 1 288.417 -0.677 20 0 CBADMP CCN(CC[NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000626974540 356561762 /nfs/dbraw/zinc/56/17/62/356561762.db2.gz IRLPQWBNXXMQEA-NSHDSACASA-N 2 1 257.382 -0.778 20 0 CBADMP CCN(CC[NH3+])C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000627003101 356566153 /nfs/dbraw/zinc/56/61/53/356566153.db2.gz GYTKKJNDCSMIOP-MNOVXSKESA-N 2 1 258.366 -0.304 20 0 CBADMP CCN(CC[NH3+])C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000627003101 356566156 /nfs/dbraw/zinc/56/61/56/356566156.db2.gz GYTKKJNDCSMIOP-MNOVXSKESA-N 2 1 258.366 -0.304 20 0 CBADMP C[C@@H](NC(=O)NCCOCCC[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000627004081 356566207 /nfs/dbraw/zinc/56/62/07/356566207.db2.gz ZNUSOCFIZSVNNJ-NEPJUHHUSA-N 2 1 288.392 -0.630 20 0 CBADMP C[C@@H](NC(=O)NCCOCCC[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000627004081 356566210 /nfs/dbraw/zinc/56/62/10/356566210.db2.gz ZNUSOCFIZSVNNJ-NEPJUHHUSA-N 2 1 288.392 -0.630 20 0 CBADMP C[C@@H](NC(=O)N(C)CCOCC[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000627003939 356566246 /nfs/dbraw/zinc/56/62/46/356566246.db2.gz WZMDPLXFESSALI-VXGBXAGGSA-N 2 1 288.392 -0.678 20 0 CBADMP C[C@@H](NC(=O)N(C)CCOCC[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000627003939 356566248 /nfs/dbraw/zinc/56/62/48/356566248.db2.gz WZMDPLXFESSALI-VXGBXAGGSA-N 2 1 288.392 -0.678 20 0 CBADMP C[N@H+]1CCN(CCNC(=O)N[C@@H]2CC[NH2+]C2)CC1(C)C ZINC000627028375 356569186 /nfs/dbraw/zinc/56/91/86/356569186.db2.gz JJKQKYVGCSWLIG-GFCCVEGCSA-N 2 1 283.420 -0.327 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NCCOCCC[NH3+])C1 ZINC000626982612 356563387 /nfs/dbraw/zinc/56/33/87/356563387.db2.gz NGCSDMCVRBJHNA-LBPRGKRZSA-N 2 1 288.392 -0.628 20 0 CBADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)CN1CC[NH+](C)CC1 ZINC000626987151 356563662 /nfs/dbraw/zinc/56/36/62/356563662.db2.gz YXGBUOBZBDQVJT-MELADBBJSA-N 2 1 297.447 -0.081 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)N(C)CCOCC[NH3+])n1C ZINC000626994426 356564218 /nfs/dbraw/zinc/56/42/18/356564218.db2.gz CSHYWNUEQGCZGB-UHFFFAOYSA-N 2 1 298.391 -0.397 20 0 CBADMP CCN(CC[NH3+])C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000626994882 356564271 /nfs/dbraw/zinc/56/42/71/356564271.db2.gz LFLNYGNTWKLYKK-UHFFFAOYSA-N 2 1 268.365 -0.024 20 0 CBADMP CCCC[C@@H](C[NH3+])NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627079961 356576023 /nfs/dbraw/zinc/57/60/23/356576023.db2.gz MCMMKYPNJDCWFA-NWDGAFQWSA-N 2 1 272.393 -0.130 20 0 CBADMP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627079898 356576142 /nfs/dbraw/zinc/57/61/42/356576142.db2.gz XXWMQRMDIMYZPC-AGIUHOORSA-N 2 1 284.404 -0.130 20 0 CBADMP CCC[NH2+]CCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627081974 356577271 /nfs/dbraw/zinc/57/72/71/356577271.db2.gz YJFJUTDITSRYNL-LLVKDONJSA-N 2 1 258.366 -0.648 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000627086067 356579136 /nfs/dbraw/zinc/57/91/36/356579136.db2.gz GCLREBZAAVZKCX-VXGBXAGGSA-N 2 1 270.377 -0.506 20 0 CBADMP [NH3+][C@@H]1CCC[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000627087424 356579830 /nfs/dbraw/zinc/57/98/30/356579830.db2.gz JMKHLAFQSNDUKZ-WOPDTQHZSA-N 2 1 270.377 -0.378 20 0 CBADMP C[C@H]1C[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC[NH2+]1 ZINC000627088485 356580965 /nfs/dbraw/zinc/58/09/65/356580965.db2.gz IONBDHMCXBJASR-QJPTWQEYSA-N 2 1 270.377 -0.507 20 0 CBADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627090727 356581532 /nfs/dbraw/zinc/58/15/32/356581532.db2.gz YNHGWCXNBGDKGN-GRYCIOLGSA-N 2 1 270.377 -0.650 20 0 CBADMP C[C@H](CCCC[NH3+])NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627093890 356582315 /nfs/dbraw/zinc/58/23/15/356582315.db2.gz VJRJIYCUROFCTR-NEPJUHHUSA-N 2 1 272.393 -0.130 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000627107351 356584254 /nfs/dbraw/zinc/58/42/54/356584254.db2.gz XRAAFQPRLAOADS-FQUUOJAGSA-N 2 1 296.415 -0.260 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000627107350 356584597 /nfs/dbraw/zinc/58/45/97/356584597.db2.gz XRAAFQPRLAOADS-DGAVXFQQSA-N 2 1 296.415 -0.260 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCC12CC(C1)C[NH2+]2 ZINC000627117180 356586461 /nfs/dbraw/zinc/58/64/61/356586461.db2.gz UEZAEIQZYYMUJM-QWKFWESOSA-N 2 1 268.361 -0.896 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000627127366 356587543 /nfs/dbraw/zinc/58/75/43/356587543.db2.gz YGJFNMCHCTUKOL-RYUDHWBXSA-N 2 1 282.388 -0.363 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000627242467 356610672 /nfs/dbraw/zinc/61/06/72/356610672.db2.gz RINCEOCCKIXXEB-HOSYDEDBSA-N 2 1 256.350 -0.897 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627246038 356611224 /nfs/dbraw/zinc/61/12/24/356611224.db2.gz IAIPQKHWZZEURN-HBNTYKKESA-N 2 1 256.350 -0.897 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NCCn1cc[nH+]c1C ZINC000627346478 356630016 /nfs/dbraw/zinc/63/00/16/356630016.db2.gz SATYMHMUBBKJMW-UHFFFAOYSA-N 2 1 267.333 -0.885 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627349359 356630502 /nfs/dbraw/zinc/63/05/02/356630502.db2.gz LPJBSSFDQMDHFD-DJIHRAIXSA-N 2 1 294.399 -0.548 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627349360 356630515 /nfs/dbraw/zinc/63/05/15/356630515.db2.gz LPJBSSFDQMDHFD-DNIRFERGSA-N 2 1 294.399 -0.548 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000627380276 356635851 /nfs/dbraw/zinc/63/58/51/356635851.db2.gz MKDGBNHDCLWVHQ-NEPJUHHUSA-N 2 1 280.372 -0.935 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)C1CC1 ZINC000627365405 356633482 /nfs/dbraw/zinc/63/34/82/356633482.db2.gz NWLPAHHAHBCSAB-NWDGAFQWSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)C1CC1 ZINC000627365406 356633507 /nfs/dbraw/zinc/63/35/07/356633507.db2.gz NWLPAHHAHBCSAB-RYUDHWBXSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000627378674 356634870 /nfs/dbraw/zinc/63/48/70/356634870.db2.gz QWMOLVANNMJNOU-QNWHQSFQSA-N 2 1 294.399 -0.404 20 0 CBADMP CC[C@H](C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000627260509 356616730 /nfs/dbraw/zinc/61/67/30/356616730.db2.gz JSJDWLLVTVFQOS-JHJVBQTASA-N 2 1 269.389 -0.006 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000627372480 356635124 /nfs/dbraw/zinc/63/51/24/356635124.db2.gz NCQWWBQFKPFYLL-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000627304628 356622741 /nfs/dbraw/zinc/62/27/41/356622741.db2.gz AKEPSIGKPVDQJJ-ZDEQEGDKSA-N 2 1 296.415 -0.158 20 0 CBADMP C[N@@H+](CCCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000627307245 356623427 /nfs/dbraw/zinc/62/34/27/356623427.db2.gz CSQDJQIZIFEXRO-LLVKDONJSA-N 2 1 282.388 -0.545 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000627325630 356626393 /nfs/dbraw/zinc/62/63/93/356626393.db2.gz PONAMHVWDRIESQ-SNVBAGLBSA-N 2 1 268.361 -0.854 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627334197 356627622 /nfs/dbraw/zinc/62/76/22/356627622.db2.gz JGSFLLDZVNSIOB-LLVKDONJSA-N 2 1 279.344 -0.824 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414672124 291114700 /nfs/dbraw/zinc/11/47/00/291114700.db2.gz PASPQWFEJQCKHV-GRYCIOLGSA-N 2 1 283.372 -0.262 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414672124 291114702 /nfs/dbraw/zinc/11/47/02/291114702.db2.gz PASPQWFEJQCKHV-GRYCIOLGSA-N 2 1 283.372 -0.262 20 0 CBADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505406 356660849 /nfs/dbraw/zinc/66/08/49/356660849.db2.gz MEMRCUSOVNEQOL-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627506371 356661083 /nfs/dbraw/zinc/66/10/83/356661083.db2.gz MTKFULFAUVMJCB-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000627506828 356661636 /nfs/dbraw/zinc/66/16/36/356661636.db2.gz LFILEQYNFVCRDR-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C[NH2+]1 ZINC000627476708 356653140 /nfs/dbraw/zinc/65/31/40/356653140.db2.gz JYVNWWKDGXMRCF-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C[NH2+]1 ZINC000627477063 356653151 /nfs/dbraw/zinc/65/31/51/356653151.db2.gz QOBQURFBEUCBMM-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC000627476736 356653405 /nfs/dbraw/zinc/65/34/05/356653405.db2.gz KPEBBQITGFWGII-IJLUTSLNSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[C@H]1C ZINC000627502982 356658827 /nfs/dbraw/zinc/65/88/27/356658827.db2.gz VXXQBWXHWOAXFG-MROQNXINSA-N 2 1 296.415 -0.206 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[C@H]1C ZINC000627502982 356658830 /nfs/dbraw/zinc/65/88/30/356658830.db2.gz VXXQBWXHWOAXFG-MROQNXINSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000627503438 356659542 /nfs/dbraw/zinc/65/95/42/356659542.db2.gz MHYXEKSJUWJMMP-HBNTYKKESA-N 2 1 268.361 -0.937 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000628584784 356714377 /nfs/dbraw/zinc/71/43/77/356714377.db2.gz YWNVSRLUKYJVDO-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000628584784 356714378 /nfs/dbraw/zinc/71/43/78/356714378.db2.gz YWNVSRLUKYJVDO-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000628584784 356714379 /nfs/dbraw/zinc/71/43/79/356714379.db2.gz YWNVSRLUKYJVDO-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000629170731 356751447 /nfs/dbraw/zinc/75/14/47/356751447.db2.gz XREKVKVJPLEDEE-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000629170731 356751450 /nfs/dbraw/zinc/75/14/50/356751450.db2.gz XREKVKVJPLEDEE-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000629170731 356751451 /nfs/dbraw/zinc/75/14/51/356751451.db2.gz XREKVKVJPLEDEE-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC(C(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000629172628 356752083 /nfs/dbraw/zinc/75/20/83/356752083.db2.gz FNTAZWAYVALWDQ-GFCCVEGCSA-N 2 1 255.362 -0.489 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000629173710 356753817 /nfs/dbraw/zinc/75/38/17/356753817.db2.gz PLNVMMMDVUDZLY-VXGBXAGGSA-N 2 1 257.378 -0.245 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000629567039 356780563 /nfs/dbraw/zinc/78/05/63/356780563.db2.gz MQDSHXPNZSFMPN-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CCNC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629568053 356780995 /nfs/dbraw/zinc/78/09/95/356780995.db2.gz IJNMPUKWIQNDPU-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP CCn1nnc(C)c1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000629513119 356776160 /nfs/dbraw/zinc/77/61/60/356776160.db2.gz UCJJTBUOKUNRSR-LBPRGKRZSA-N 2 1 294.403 -0.107 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000629652674 356788955 /nfs/dbraw/zinc/78/89/55/356788955.db2.gz BXCPYLYIVDFOQQ-FRRDWIJNSA-N 2 1 268.405 -0.086 20 0 CBADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[NH2+]1 ZINC000629660332 356789083 /nfs/dbraw/zinc/78/90/83/356789083.db2.gz RWEATNOJVIGUJN-AGIUHOORSA-N 3 1 268.405 -0.086 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000629797181 356794080 /nfs/dbraw/zinc/79/40/80/356794080.db2.gz WTEMRONVZVPIEY-LBPRGKRZSA-N 2 1 282.388 -0.511 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000629799489 356794979 /nfs/dbraw/zinc/79/49/79/356794979.db2.gz HNGBRIPIHSNFLM-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000629798821 356795323 /nfs/dbraw/zinc/79/53/23/356795323.db2.gz LGYYMTXABFQPRV-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000629798883 356795333 /nfs/dbraw/zinc/79/53/33/356795333.db2.gz MIIHWTVHELLFME-GFCCVEGCSA-N 2 1 284.404 -0.408 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000629798883 356795335 /nfs/dbraw/zinc/79/53/35/356795335.db2.gz MIIHWTVHELLFME-GFCCVEGCSA-N 2 1 284.404 -0.408 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000629812925 356798006 /nfs/dbraw/zinc/79/80/06/356798006.db2.gz XQBYNJDKUWPYME-CQSZACIVSA-N 2 1 282.388 -0.652 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000629913900 356805380 /nfs/dbraw/zinc/80/53/80/356805380.db2.gz PLNVMMMDVUDZLY-RYUDHWBXSA-N 2 1 257.378 -0.245 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@H+]1C ZINC000629916843 356808021 /nfs/dbraw/zinc/80/80/21/356808021.db2.gz XREKVKVJPLEDEE-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000629916843 356808024 /nfs/dbraw/zinc/80/80/24/356808024.db2.gz XREKVKVJPLEDEE-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000629916843 356808028 /nfs/dbraw/zinc/80/80/28/356808028.db2.gz XREKVKVJPLEDEE-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC000629960185 356812186 /nfs/dbraw/zinc/81/21/86/356812186.db2.gz YERMVERPGBJTPQ-CYBMUJFWSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[NH+]1CCN(C(=O)CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC000630006047 356815423 /nfs/dbraw/zinc/81/54/23/356815423.db2.gz BZDKJIQNUZBBJS-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+]1CCN(C(=O)CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000630006047 356815429 /nfs/dbraw/zinc/81/54/29/356815429.db2.gz BZDKJIQNUZBBJS-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCOCC[NH3+])CC1 ZINC000629577946 356782269 /nfs/dbraw/zinc/78/22/69/356782269.db2.gz LYTBPMKSDVIPIP-UHFFFAOYSA-N 3 1 286.420 -0.506 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCOCC[NH3+])CC1 ZINC000629577946 356782272 /nfs/dbraw/zinc/78/22/72/356782272.db2.gz LYTBPMKSDVIPIP-UHFFFAOYSA-N 3 1 286.420 -0.506 20 0 CBADMP CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629579225 356782345 /nfs/dbraw/zinc/78/23/45/356782345.db2.gz CDFSQDIMXIXTKP-RYUDHWBXSA-N 2 1 293.433 -0.640 20 0 CBADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582276 356782466 /nfs/dbraw/zinc/78/24/66/356782466.db2.gz QVUOQMIDNCDDGI-OUAUKWLOSA-N 2 1 253.346 -0.297 20 0 CBADMP C[C@H](C[N@H+](C)CCOCC[NH3+])CS(C)(=O)=O ZINC000629579036 356782481 /nfs/dbraw/zinc/78/24/81/356782481.db2.gz YPIQHUYNHZEKKP-SNVBAGLBSA-N 2 1 252.380 -0.426 20 0 CBADMP C[C@H](C[N@@H+](C)CCOCC[NH3+])CS(C)(=O)=O ZINC000629579036 356782485 /nfs/dbraw/zinc/78/24/85/356782485.db2.gz YPIQHUYNHZEKKP-SNVBAGLBSA-N 2 1 252.380 -0.426 20 0 CBADMP C[N@@H+](CCOCC[NH3+])CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000629580690 356782513 /nfs/dbraw/zinc/78/25/13/356782513.db2.gz DOZBWFVDTLKFKW-BETUJISGSA-N 2 1 257.378 -0.243 20 0 CBADMP Cn1ccc(N2CCC[C@@H]([N@H+](C)CCOCC[NH3+])C2=O)n1 ZINC000629579154 356782805 /nfs/dbraw/zinc/78/28/05/356782805.db2.gz ZMURETSWATVLAH-GFCCVEGCSA-N 2 1 295.387 -0.177 20 0 CBADMP Cn1ccc(N2CCC[C@@H]([N@@H+](C)CCOCC[NH3+])C2=O)n1 ZINC000629579154 356782807 /nfs/dbraw/zinc/78/28/07/356782807.db2.gz ZMURETSWATVLAH-GFCCVEGCSA-N 2 1 295.387 -0.177 20 0 CBADMP CCC[C@H](O)[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629584602 356783486 /nfs/dbraw/zinc/78/34/86/356783486.db2.gz TUJFOCTYLSZURE-XQQFMLRXSA-N 2 1 260.378 -0.445 20 0 CBADMP OCC[N@H+]1CCCC[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629585036 356784049 /nfs/dbraw/zinc/78/40/49/356784049.db2.gz YKCIRKOJKCHCDY-HUUCEWRRSA-N 2 1 285.432 -0.121 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000629595218 356784600 /nfs/dbraw/zinc/78/46/00/356784600.db2.gz LDIJWBSSCPJYQJ-NWDGAFQWSA-N 2 1 293.433 -0.782 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000629595218 356784605 /nfs/dbraw/zinc/78/46/05/356784605.db2.gz LDIJWBSSCPJYQJ-NWDGAFQWSA-N 2 1 293.433 -0.782 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000629595368 356785188 /nfs/dbraw/zinc/78/51/88/356785188.db2.gz NMAYHKQFCKAGLH-NWDGAFQWSA-N 2 1 275.418 -0.143 20 0 CBADMP c1c(C[NH+]2CCCC2)nnn1C[C@H]1C[NH2+]CCO1 ZINC000630617962 356855900 /nfs/dbraw/zinc/85/59/00/356855900.db2.gz ZWPWTCFTPLUQEK-GFCCVEGCSA-N 2 1 251.334 -0.138 20 0 CBADMP CCN(C)C(=O)CC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863329 356913565 /nfs/dbraw/zinc/91/35/65/356913565.db2.gz UTDJIQGEIFFYJO-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP CNS(=O)(=O)CCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868219 356914872 /nfs/dbraw/zinc/91/48/72/356914872.db2.gz ANMJWMGIYBUQQQ-MNOVXSKESA-N 2 1 261.391 -0.343 20 0 CBADMP CNC(=O)NC[C@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000631873216 356915158 /nfs/dbraw/zinc/91/51/58/356915158.db2.gz MUJYMADTGNNABB-LBPRGKRZSA-N 2 1 270.377 -0.384 20 0 CBADMP CNC(=O)NC[C@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000631873216 356915159 /nfs/dbraw/zinc/91/51/59/356915159.db2.gz MUJYMADTGNNABB-LBPRGKRZSA-N 2 1 270.377 -0.384 20 0 CBADMP C[NH2+]C[C@H]1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000631904730 356920392 /nfs/dbraw/zinc/92/03/92/356920392.db2.gz WZYQPMLGVSNRCC-LLVKDONJSA-N 2 1 275.418 -0.048 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000631906931 356921464 /nfs/dbraw/zinc/92/14/64/356921464.db2.gz ZBFFQGKOXNHQTD-SNVBAGLBSA-N 2 1 261.391 -0.167 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000631906462 356921540 /nfs/dbraw/zinc/92/15/40/356921540.db2.gz NBQKLAFTBSIAKI-JTQLQIEISA-N 2 1 261.391 -0.263 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000631938467 356928799 /nfs/dbraw/zinc/92/87/99/356928799.db2.gz FBOSPHXQWNRDHM-MYJAWHEDSA-N 2 1 259.375 -0.782 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000631944741 356930295 /nfs/dbraw/zinc/93/02/95/356930295.db2.gz GICWZVVURQYFTC-LLVKDONJSA-N 2 1 291.417 -0.540 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633077744 357040047 /nfs/dbraw/zinc/04/00/47/357040047.db2.gz COOSHQNXBHJLGK-RYUDHWBXSA-N 2 1 280.372 -0.887 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633115613 357049514 /nfs/dbraw/zinc/04/95/14/357049514.db2.gz VSRKHJVXQKMMDS-RYUDHWBXSA-N 2 1 280.372 -0.888 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000633115310 357049600 /nfs/dbraw/zinc/04/96/00/357049600.db2.gz JGAXKMKDLAWCNJ-VXGBXAGGSA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000633117995 357050107 /nfs/dbraw/zinc/05/01/07/357050107.db2.gz HEBFYGFMVRZXEQ-FIQHERPVSA-N 2 1 280.372 -0.903 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC[N@@H+]1C ZINC000633139897 357052257 /nfs/dbraw/zinc/05/22/57/357052257.db2.gz IHSKCZDKVUFGEN-UPJWGTAASA-N 2 1 296.415 -0.267 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC[N@H+]1C ZINC000633139897 357052263 /nfs/dbraw/zinc/05/22/63/357052263.db2.gz IHSKCZDKVUFGEN-UPJWGTAASA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634270504 357113871 /nfs/dbraw/zinc/11/38/71/357113871.db2.gz NNIYSCDMHUCATI-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634270504 357113875 /nfs/dbraw/zinc/11/38/75/357113875.db2.gz NNIYSCDMHUCATI-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634780091 357136857 /nfs/dbraw/zinc/13/68/57/357136857.db2.gz RYWKOQDNHUFASS-BETUJISGSA-N 2 1 267.373 -0.271 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634780091 357136860 /nfs/dbraw/zinc/13/68/60/357136860.db2.gz RYWKOQDNHUFASS-BETUJISGSA-N 2 1 267.373 -0.271 20 0 CBADMP C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+](C)C ZINC000635472647 357167504 /nfs/dbraw/zinc/16/75/04/357167504.db2.gz GJTNZOIVKWWAOR-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000635500848 357169349 /nfs/dbraw/zinc/16/93/49/357169349.db2.gz JWINMBVQVANNLV-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000635500848 357169350 /nfs/dbraw/zinc/16/93/50/357169350.db2.gz JWINMBVQVANNLV-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000635500848 357169351 /nfs/dbraw/zinc/16/93/51/357169351.db2.gz JWINMBVQVANNLV-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000635500848 357169352 /nfs/dbraw/zinc/16/93/52/357169352.db2.gz JWINMBVQVANNLV-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635517484 357171085 /nfs/dbraw/zinc/17/10/85/357171085.db2.gz PYQRSCAORAOFTA-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635517484 357171086 /nfs/dbraw/zinc/17/10/86/357171086.db2.gz PYQRSCAORAOFTA-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635517480 357171344 /nfs/dbraw/zinc/17/13/44/357171344.db2.gz PYQRSCAORAOFTA-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635517480 357171346 /nfs/dbraw/zinc/17/13/46/357171346.db2.gz PYQRSCAORAOFTA-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634718575 357128751 /nfs/dbraw/zinc/12/87/51/357128751.db2.gz FTDJVJNERIJMNO-JHJVBQTASA-N 2 1 260.378 -0.590 20 0 CBADMP C[C@@H](O)[C@@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719352 357128896 /nfs/dbraw/zinc/12/88/96/357128896.db2.gz SHGFEXARXDOSAP-FVQBIDKESA-N 2 1 294.395 -0.045 20 0 CBADMP C[C@@H](O)[C@@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719352 357128900 /nfs/dbraw/zinc/12/89/00/357128900.db2.gz SHGFEXARXDOSAP-FVQBIDKESA-N 2 1 294.395 -0.045 20 0 CBADMP OC[C@@H](O)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634718608 357128946 /nfs/dbraw/zinc/12/89/46/357128946.db2.gz GJWBBIAHILBCSH-GJZGRUSLSA-N 2 1 280.368 -0.434 20 0 CBADMP OC[C@@H](O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634718608 357128949 /nfs/dbraw/zinc/12/89/49/357128949.db2.gz GJWBBIAHILBCSH-GJZGRUSLSA-N 2 1 280.368 -0.434 20 0 CBADMP NC(=O)[C@@H](O)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721196 357129497 /nfs/dbraw/zinc/12/94/97/357129497.db2.gz VADIOTJWJGNSGR-ZFWWWQNUSA-N 2 1 293.367 -0.941 20 0 CBADMP NC(=O)[C@@H](O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721196 357129499 /nfs/dbraw/zinc/12/94/99/357129499.db2.gz VADIOTJWJGNSGR-ZFWWWQNUSA-N 2 1 293.367 -0.941 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635728444 357197363 /nfs/dbraw/zinc/19/73/63/357197363.db2.gz XRZFJLLYUSLBAP-WCQYABFASA-N 2 1 257.378 -0.243 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635728414 357197479 /nfs/dbraw/zinc/19/74/79/357197479.db2.gz XDZUPBDWPXIQNC-AAEUAGOBSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635802304 357209578 /nfs/dbraw/zinc/20/95/78/357209578.db2.gz SHNKMBYMTQKSRQ-HNNXBMFYSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000635801657 357210100 /nfs/dbraw/zinc/21/01/00/357210100.db2.gz LSLILCLCGWFOOF-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000635801657 357210101 /nfs/dbraw/zinc/21/01/01/357210101.db2.gz LSLILCLCGWFOOF-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000635801657 357210104 /nfs/dbraw/zinc/21/01/04/357210104.db2.gz LSLILCLCGWFOOF-AAEUAGOBSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+](C)C ZINC000635975275 357241533 /nfs/dbraw/zinc/24/15/33/357241533.db2.gz OHPHGMHOPQGZSE-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000635900164 357226942 /nfs/dbraw/zinc/22/69/42/357226942.db2.gz BCHCVALASHZJPQ-ZDUSSCGKSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)[NH+](C)C ZINC000635900885 357228131 /nfs/dbraw/zinc/22/81/31/357228131.db2.gz YREUBKXSTHASOX-NEPJUHHUSA-N 2 1 254.378 -0.557 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000635900879 357228512 /nfs/dbraw/zinc/22/85/12/357228512.db2.gz YOLDYDSPPXVUOH-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000635900879 357228516 /nfs/dbraw/zinc/22/85/16/357228516.db2.gz YOLDYDSPPXVUOH-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000635900879 357228521 /nfs/dbraw/zinc/22/85/21/357228521.db2.gz YOLDYDSPPXVUOH-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+](C)CC1(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000635556464 357176828 /nfs/dbraw/zinc/17/68/28/357176828.db2.gz QLQAKFJMCHNJNI-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000636476285 357286915 /nfs/dbraw/zinc/28/69/15/357286915.db2.gz PMIABLJDKCGKIY-CYBMUJFWSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000636624530 357294303 /nfs/dbraw/zinc/29/43/03/357294303.db2.gz VWGRJRAUZTUXGJ-RYUDHWBXSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000636624530 357294306 /nfs/dbraw/zinc/29/43/06/357294306.db2.gz VWGRJRAUZTUXGJ-RYUDHWBXSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000636624530 357294307 /nfs/dbraw/zinc/29/43/07/357294307.db2.gz VWGRJRAUZTUXGJ-RYUDHWBXSA-N 2 1 270.377 -0.554 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636687902 357296311 /nfs/dbraw/zinc/29/63/11/357296311.db2.gz CQWZAAUFNPVGNB-LBPRGKRZSA-N 2 1 281.360 -0.443 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636687902 357296316 /nfs/dbraw/zinc/29/63/16/357296316.db2.gz CQWZAAUFNPVGNB-LBPRGKRZSA-N 2 1 281.360 -0.443 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+](C)C ZINC000635977256 357242895 /nfs/dbraw/zinc/24/28/95/357242895.db2.gz YVQGSYVWXQBDEV-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000636012880 357250935 /nfs/dbraw/zinc/25/09/35/357250935.db2.gz YLROEJGZBPGYKV-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000636012880 357250940 /nfs/dbraw/zinc/25/09/40/357250940.db2.gz YLROEJGZBPGYKV-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636075763 357260894 /nfs/dbraw/zinc/26/08/94/357260894.db2.gz DCXWOSQRRGKITE-QWHCGFSZSA-N 2 1 296.415 -0.093 20 0 CBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636075762 357261287 /nfs/dbraw/zinc/26/12/87/357261287.db2.gz DCXWOSQRRGKITE-OLZOCXBDSA-N 2 1 296.415 -0.093 20 0 CBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636181466 357269622 /nfs/dbraw/zinc/26/96/22/357269622.db2.gz DEJBLLZDTOWSEH-ZDUSSCGKSA-N 2 1 298.431 -0.193 20 0 CBADMP CC[C@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000636317721 357280099 /nfs/dbraw/zinc/28/00/99/357280099.db2.gz SPBAVDMZSHXSTR-GFCCVEGCSA-N 2 1 284.404 -0.441 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636316823 357280674 /nfs/dbraw/zinc/28/06/74/357280674.db2.gz YLTUJEKJGARXNB-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636316823 357280676 /nfs/dbraw/zinc/28/06/76/357280676.db2.gz YLTUJEKJGARXNB-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[NH2+]C[C@@H]1C ZINC000637816822 357370528 /nfs/dbraw/zinc/37/05/28/357370528.db2.gz LIDWEAPCHVRQRM-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP C[NH2+]CCNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000637825095 357371618 /nfs/dbraw/zinc/37/16/18/357371618.db2.gz VIZXIRPANJMDPD-CYBMUJFWSA-N 2 1 264.373 -0.219 20 0 CBADMP C[NH2+]CCNC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000637825095 357371619 /nfs/dbraw/zinc/37/16/19/357371619.db2.gz VIZXIRPANJMDPD-CYBMUJFWSA-N 2 1 264.373 -0.219 20 0 CBADMP CN(C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CC[NH2+]C1 ZINC000637837327 357373753 /nfs/dbraw/zinc/37/37/53/357373753.db2.gz DIBHPZLUNYKSQP-UTUOFQBUSA-N 2 1 253.346 -0.330 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCN2CC[NH2+]CC2)O1 ZINC000637835636 357374194 /nfs/dbraw/zinc/37/41/94/357374194.db2.gz PBUGIOSIQNNCHS-QWHCGFSZSA-N 2 1 284.404 -0.931 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCN2CC[NH2+]CC2)O1 ZINC000637835636 357374198 /nfs/dbraw/zinc/37/41/98/357374198.db2.gz PBUGIOSIQNNCHS-QWHCGFSZSA-N 2 1 284.404 -0.931 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000636923888 357312457 /nfs/dbraw/zinc/31/24/57/357312457.db2.gz ZUEWBNAACWXYMG-UBHSHLNASA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636923888 357312458 /nfs/dbraw/zinc/31/24/58/357312458.db2.gz ZUEWBNAACWXYMG-UBHSHLNASA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636923888 357312462 /nfs/dbraw/zinc/31/24/62/357312462.db2.gz ZUEWBNAACWXYMG-UBHSHLNASA-N 2 1 296.415 -0.165 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[NH2+][C@H](C)C1 ZINC000637842663 357375023 /nfs/dbraw/zinc/37/50/23/357375023.db2.gz VSAPCBDOLWBIJT-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000637283638 357337454 /nfs/dbraw/zinc/33/74/54/357337454.db2.gz WILINDZGILNGJZ-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000637283638 357337459 /nfs/dbraw/zinc/33/74/59/357337459.db2.gz WILINDZGILNGJZ-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000637283638 357337462 /nfs/dbraw/zinc/33/74/62/357337462.db2.gz WILINDZGILNGJZ-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCC[NH2+]C1CC1 ZINC000637306702 357339272 /nfs/dbraw/zinc/33/92/72/357339272.db2.gz JZWCASMZNVXUNY-UHFFFAOYSA-N 2 1 258.366 -0.648 20 0 CBADMP O=C(NCC[NH2+]C1CC1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000637347600 357339311 /nfs/dbraw/zinc/33/93/11/357339311.db2.gz IAYYQVPSHKIQNJ-CYBMUJFWSA-N 2 1 284.404 -0.116 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000637316937 357339419 /nfs/dbraw/zinc/33/94/19/357339419.db2.gz JGCLFKQWLHEUPB-NWDGAFQWSA-N 2 1 284.404 -0.165 20 0 CBADMP CN(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637376433 357340647 /nfs/dbraw/zinc/34/06/47/357340647.db2.gz HCKOTTZKMISOHE-LBPRGKRZSA-N 2 1 299.419 -0.471 20 0 CBADMP C[NH2+]CCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000637558794 357357864 /nfs/dbraw/zinc/35/78/64/357357864.db2.gz BBHPRZVTRMRYRE-GFCCVEGCSA-N 2 1 270.377 -0.288 20 0 CBADMP CC[NH2+]CCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000637602730 357358962 /nfs/dbraw/zinc/35/89/62/357358962.db2.gz FTZSEYVGLCERDA-UHFFFAOYSA-N 2 1 272.393 -0.306 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCOCCOC)C1 ZINC000637801428 357366891 /nfs/dbraw/zinc/36/68/91/357366891.db2.gz KBIKHXCRKZLZCO-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000637811432 357368551 /nfs/dbraw/zinc/36/85/51/357368551.db2.gz UNOGCONYMRVSGA-UHFFFAOYSA-N 2 1 279.344 -0.918 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000638254668 357443928 /nfs/dbraw/zinc/44/39/28/357443928.db2.gz VWBGJIVIIAKVBY-UHTWSYAYSA-N 2 1 273.352 -0.087 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638047603 357405118 /nfs/dbraw/zinc/40/51/18/357405118.db2.gz IHBFNHXBISWPLR-YPMHNXCESA-N 2 1 255.362 -0.035 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638046987 357405505 /nfs/dbraw/zinc/40/55/05/357405505.db2.gz KHBDYJSVVOXGKE-CYBMUJFWSA-N 2 1 255.362 -0.094 20 0 CBADMP O=C(CCC1C[NH2+]C1)NCCC[NH+]1CCOCC1 ZINC000638047720 357405521 /nfs/dbraw/zinc/40/55/21/357405521.db2.gz KJCNKUWJQRJJRQ-UHFFFAOYSA-N 2 1 255.362 -0.176 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000638071036 357409986 /nfs/dbraw/zinc/40/99/86/357409986.db2.gz ZAKDKZJTSPCLJG-ZDUSSCGKSA-N 2 1 268.405 -0.118 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638071665 357410829 /nfs/dbraw/zinc/41/08/29/357410829.db2.gz HDVNZHPQXFVIQC-DGCLKSJQSA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638073235 357411046 /nfs/dbraw/zinc/41/10/46/357411046.db2.gz SSKWQCVELFHIFB-DGCLKSJQSA-N 2 1 255.362 -0.190 20 0 CBADMP C[C@]1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000638071623 357411096 /nfs/dbraw/zinc/41/10/96/357411096.db2.gz GEDPIDBLKHREGM-SMDDNHRTSA-N 2 1 267.373 -0.035 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000638077363 357412200 /nfs/dbraw/zinc/41/22/00/357412200.db2.gz RRFNEXPLKSGVJO-GMXVVIOVSA-N 2 1 255.362 -0.036 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638078717 357412279 /nfs/dbraw/zinc/41/22/79/357412279.db2.gz MTNVFVVVZHPYNJ-DGCLKSJQSA-N 2 1 255.362 -0.048 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638078935 357412679 /nfs/dbraw/zinc/41/26/79/357412679.db2.gz OMYCIEXETRJAKB-SDDRHHMPSA-N 2 1 255.362 -0.051 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@]1(C[NH3+])CCCOC1)C1CC1 ZINC000638085319 357412934 /nfs/dbraw/zinc/41/29/34/357412934.db2.gz XSYWGSIYWMOTQS-CYBMUJFWSA-N 2 1 255.362 -0.048 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638084911 357413323 /nfs/dbraw/zinc/41/33/23/357413323.db2.gz HKDZJTZSTALFTE-YPMHNXCESA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000638083510 357413466 /nfs/dbraw/zinc/41/34/66/357413466.db2.gz FWNHIVBYFJMFPO-ZWNOBZJWSA-N 2 1 253.346 -0.282 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638242329 357442453 /nfs/dbraw/zinc/44/24/53/357442453.db2.gz XIBHRXMIKHXLBX-ZDUSSCGKSA-N 2 1 277.372 -0.302 20 0 CBADMP C[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)C[NH+]1CCOCC1 ZINC000638091806 357414957 /nfs/dbraw/zinc/41/49/57/357414957.db2.gz ZAVNZXWMFRXFDD-GXTWGEPZSA-N 2 1 285.388 -0.551 20 0 CBADMP CN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638099639 357417263 /nfs/dbraw/zinc/41/72/63/357417263.db2.gz IGWJDRCEIPWORH-CYBMUJFWSA-N 2 1 266.389 -0.413 20 0 CBADMP C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[NH2+]CCO1 ZINC000638102662 357418000 /nfs/dbraw/zinc/41/80/00/357418000.db2.gz WHPNIRNFIJBBIY-TZMCWYRMSA-N 2 1 267.373 -0.035 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000638112854 357420521 /nfs/dbraw/zinc/42/05/21/357420521.db2.gz VWBWPHWSOAVWTQ-CQSZACIVSA-N 2 1 282.432 -0.014 20 0 CBADMP C[C@H]1C[C@@H](N(C)C(=O)CN2CC[NH2+]CC2)CC[N@H+]1C ZINC000638124315 357421484 /nfs/dbraw/zinc/42/14/84/357421484.db2.gz SKXFZUJCGTWOOW-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)O1 ZINC000638247852 357443012 /nfs/dbraw/zinc/44/30/12/357443012.db2.gz PKPSALKBDQFLSH-FDYHWXHSSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)O1 ZINC000638247852 357443015 /nfs/dbraw/zinc/44/30/15/357443015.db2.gz PKPSALKBDQFLSH-FDYHWXHSSA-N 2 1 267.373 -0.084 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638138431 357425518 /nfs/dbraw/zinc/42/55/18/357425518.db2.gz AVAWFQWLAIZEMY-OCCSQVGLSA-N 2 1 284.404 -0.896 20 0 CBADMP COCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000638151879 357426381 /nfs/dbraw/zinc/42/63/81/357426381.db2.gz GGIUTEXRVSTDFA-NWDGAFQWSA-N 2 1 271.361 -0.798 20 0 CBADMP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000638173366 357431194 /nfs/dbraw/zinc/43/11/94/357431194.db2.gz GATBLDIRXWIOEK-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000638173264 357431601 /nfs/dbraw/zinc/43/16/01/357431601.db2.gz GATBLDIRXWIOEK-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC(F)(F)C[NH3+])C1 ZINC000638174949 357431897 /nfs/dbraw/zinc/43/18/97/357431897.db2.gz SVXXVRGFIASQGK-VXNVDRBHSA-N 2 1 251.277 -0.536 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC(F)(F)C[NH3+])C1 ZINC000638174947 357432558 /nfs/dbraw/zinc/43/25/58/357432558.db2.gz SVXXVRGFIASQGK-CBAPKCEASA-N 2 1 251.277 -0.536 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000638226722 357437262 /nfs/dbraw/zinc/43/72/62/357437262.db2.gz IOHZXJVFOIEZOL-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000638266251 357446449 /nfs/dbraw/zinc/44/64/49/357446449.db2.gz PJODMBCHOSYMJQ-LLVKDONJSA-N 2 1 252.318 -0.314 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)O1 ZINC000638270633 357447083 /nfs/dbraw/zinc/44/70/83/357447083.db2.gz ZVVODZQYTNTKCV-DDHJBXDOSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)O1 ZINC000638270633 357447087 /nfs/dbraw/zinc/44/70/87/357447087.db2.gz ZVVODZQYTNTKCV-DDHJBXDOSA-N 2 1 255.362 -0.051 20 0 CBADMP Cc1[nH+]ccn1CCCN(C)C(=O)CN1CC[NH2+]CC1 ZINC000638298368 357452817 /nfs/dbraw/zinc/45/28/17/357452817.db2.gz CLAAZWNNUVEPSA-UHFFFAOYSA-N 2 1 279.388 -0.055 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)CN1CC[NH2+]CC1 ZINC000638304922 357454626 /nfs/dbraw/zinc/45/46/26/357454626.db2.gz WMCAUVFHTPKNIR-UHFFFAOYSA-N 2 1 254.378 -0.556 20 0 CBADMP CC(C)([NH3+])CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000638393416 357467526 /nfs/dbraw/zinc/46/75/26/357467526.db2.gz IFOKOHYYSLGSDA-UHFFFAOYSA-N 2 1 272.393 -0.178 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638507388 357491133 /nfs/dbraw/zinc/49/11/33/357491133.db2.gz DYEKFEOROZWFCB-VWYCJHECSA-N 2 1 253.346 -0.236 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC2([NH3+])CCOCC2)CC[N@H+]1C ZINC000638539976 357493387 /nfs/dbraw/zinc/49/33/87/357493387.db2.gz MBOKFXFSPKSUGZ-GHMZBOCLSA-N 2 1 255.362 -0.049 20 0 CBADMP CO[C@H](C[NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000638551968 357494758 /nfs/dbraw/zinc/49/47/58/357494758.db2.gz OUGOKKNXQRTXDC-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000638644781 357515656 /nfs/dbraw/zinc/51/56/56/357515656.db2.gz SAAUAVILQHLMLN-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000638644781 357515660 /nfs/dbraw/zinc/51/56/60/357515660.db2.gz SAAUAVILQHLMLN-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@H](C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N1CC[NH+](C)CC1 ZINC000638645042 357515857 /nfs/dbraw/zinc/51/58/57/357515857.db2.gz UDCSYEXZHNBQAN-JHJVBQTASA-N 2 1 268.405 -0.121 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000638781147 357528254 /nfs/dbraw/zinc/52/82/54/357528254.db2.gz WKTMAENZSUGOHM-QWHCGFSZSA-N 2 1 268.405 -0.119 20 0 CBADMP [NH3+]CCOCC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638986929 357548689 /nfs/dbraw/zinc/54/86/89/357548689.db2.gz IDZJQBUSZWEZME-UHFFFAOYSA-N 2 1 279.344 -0.595 20 0 CBADMP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@H]1C[NH2+]CCO1 ZINC000638984601 357549172 /nfs/dbraw/zinc/54/91/72/357549172.db2.gz OKWCWMQMDYBHDP-GFCCVEGCSA-N 2 1 291.355 -0.582 20 0 CBADMP CO[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@](C)(CO)C1 ZINC000640002847 357627572 /nfs/dbraw/zinc/62/75/72/357627572.db2.gz ZTZJDXSRBPCRNI-UKRRQHHQSA-N 2 1 299.415 -0.378 20 0 CBADMP CO[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@](C)(CO)C1 ZINC000640002847 357627576 /nfs/dbraw/zinc/62/75/76/357627576.db2.gz ZTZJDXSRBPCRNI-UKRRQHHQSA-N 2 1 299.415 -0.378 20 0 CBADMP CO[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@](C)(CO)C1 ZINC000640002849 357627954 /nfs/dbraw/zinc/62/79/54/357627954.db2.gz ZTZJDXSRBPCRNI-ZFWWWQNUSA-N 2 1 299.415 -0.378 20 0 CBADMP CO[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@](C)(CO)C1 ZINC000640002849 357627958 /nfs/dbraw/zinc/62/79/58/357627958.db2.gz ZTZJDXSRBPCRNI-ZFWWWQNUSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+]1CCC2(CC[N@@H+](CCNS(C)(=O)=O)C2)CC1 ZINC000639757051 357594207 /nfs/dbraw/zinc/59/42/07/357594207.db2.gz CRIAOWRIRINATH-UHFFFAOYSA-N 2 1 275.418 -0.047 20 0 CBADMP CCNC(=O)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639760546 357595964 /nfs/dbraw/zinc/59/59/64/357595964.db2.gz BRNGVHORRUKSOT-CYBMUJFWSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639769332 357597180 /nfs/dbraw/zinc/59/71/80/357597180.db2.gz XVWDDEFJZLPCGR-UONOGXRCSA-N 2 1 273.421 -0.313 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639841665 357603069 /nfs/dbraw/zinc/60/30/69/357603069.db2.gz XLWXCELRGYFZDL-UTUOFQBUSA-N 2 1 282.388 -0.621 20 0 CBADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639841665 357603074 /nfs/dbraw/zinc/60/30/74/357603074.db2.gz XLWXCELRGYFZDL-UTUOFQBUSA-N 2 1 282.388 -0.621 20 0 CBADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639841665 357603078 /nfs/dbraw/zinc/60/30/78/357603078.db2.gz XLWXCELRGYFZDL-UTUOFQBUSA-N 2 1 282.388 -0.621 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)C[C@@]2(C)CO)CC1 ZINC000639854198 357609315 /nfs/dbraw/zinc/60/93/15/357609315.db2.gz JIHQZMLVAGMIQW-HIFRSBDPSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+](C[C@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)C1CC1 ZINC000639944775 357619908 /nfs/dbraw/zinc/61/99/08/357619908.db2.gz OXZLUSBGSXCTRJ-TUKIKUTGSA-N 2 1 295.383 -0.574 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)C1CC1 ZINC000639944775 357619911 /nfs/dbraw/zinc/61/99/11/357619911.db2.gz OXZLUSBGSXCTRJ-TUKIKUTGSA-N 2 1 295.383 -0.574 20 0 CBADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)C1CC1 ZINC000639944775 357619917 /nfs/dbraw/zinc/61/99/17/357619917.db2.gz OXZLUSBGSXCTRJ-TUKIKUTGSA-N 2 1 295.383 -0.574 20 0 CBADMP C[NH+](C[C@H](O)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)C1CC1 ZINC000639944775 357619919 /nfs/dbraw/zinc/61/99/19/357619919.db2.gz OXZLUSBGSXCTRJ-TUKIKUTGSA-N 2 1 295.383 -0.574 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@H](CO)C[NH+]2CCCC2)CC1 ZINC000640319769 357643257 /nfs/dbraw/zinc/64/32/57/357643257.db2.gz CVWRMUFJMLGEKX-NSHDSACASA-N 2 1 255.362 -0.347 20 0 CBADMP O=C(C[N@H+]1C[C@@H]2C[C@]2(O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000640475406 357655938 /nfs/dbraw/zinc/65/59/38/357655938.db2.gz FNBHCMWNLTXHPP-NHYWBVRUSA-N 2 1 279.384 -0.204 20 0 CBADMP O=C(C[N@@H+]1C[C@@H]2C[C@]2(O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000640475406 357655942 /nfs/dbraw/zinc/65/59/42/357655942.db2.gz FNBHCMWNLTXHPP-NHYWBVRUSA-N 2 1 279.384 -0.204 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)n2cc(CCC[NH3+])nn2)CC1 ZINC000640831232 357666193 /nfs/dbraw/zinc/66/61/93/357666193.db2.gz SAFGZBMOYUYXTN-LBPRGKRZSA-N 2 1 294.403 -0.106 20 0 CBADMP C[NH+]1CCN(C(=O)Cn2cc(C[C@H]3CC[NH2+]C3)nn2)CC1 ZINC000640837819 357666321 /nfs/dbraw/zinc/66/63/21/357666321.db2.gz XIQUCYRAESNPES-GFCCVEGCSA-N 2 1 292.387 -0.796 20 0 CBADMP Cc1[nH+]ccn1CCn1cc(CN2CC[NH2+]CC2)nn1 ZINC000640986242 357670595 /nfs/dbraw/zinc/67/05/95/357670595.db2.gz SNEFYPLVKKADPX-UHFFFAOYSA-N 2 1 275.360 -0.112 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000641424072 357704447 /nfs/dbraw/zinc/70/44/47/357704447.db2.gz GTKLGNZTEXPZCA-LLVKDONJSA-N 2 1 258.366 -0.303 20 0 CBADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCS(N)(=O)=O ZINC000641797010 357742456 /nfs/dbraw/zinc/74/24/56/357742456.db2.gz PIGILMPMGSOVBP-JTQLQIEISA-N 2 1 251.396 -0.030 20 0 CBADMP COc1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)on1 ZINC000641796657 357742684 /nfs/dbraw/zinc/74/26/84/357742684.db2.gz GOUFXEWVOQVWKO-JTQLQIEISA-N 2 1 282.344 -0.030 20 0 CBADMP CC(=O)N1CCN(C(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641808011 357743714 /nfs/dbraw/zinc/74/37/14/357743714.db2.gz XBJRDARGISYMHJ-RYUDHWBXSA-N 2 1 282.388 -0.608 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000641805065 357743913 /nfs/dbraw/zinc/74/39/13/357743913.db2.gz MMNXOFBVXGCPDV-JHJVBQTASA-N 2 1 296.415 -0.171 20 0 CBADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000641803749 357744156 /nfs/dbraw/zinc/74/41/56/357744156.db2.gz HAAGPYVTCLMWPE-MNOVXSKESA-N 2 1 282.388 -0.560 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641824030 357745565 /nfs/dbraw/zinc/74/55/65/357745565.db2.gz DGHUTDWUUPJOGM-UHFFFAOYSA-N 2 1 284.404 -0.265 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641824030 357745567 /nfs/dbraw/zinc/74/55/67/357745567.db2.gz DGHUTDWUUPJOGM-UHFFFAOYSA-N 2 1 284.404 -0.265 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000641824193 357745571 /nfs/dbraw/zinc/74/55/71/357745571.db2.gz FEEOZDMDIODPAU-LLVKDONJSA-N 2 1 282.388 -0.641 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000641824193 357745573 /nfs/dbraw/zinc/74/55/73/357745573.db2.gz FEEOZDMDIODPAU-LLVKDONJSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641825713 357746256 /nfs/dbraw/zinc/74/62/56/357746256.db2.gz WTAHZWOSPMOUFW-UHFFFAOYSA-N 2 1 270.377 -0.654 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641825713 357746260 /nfs/dbraw/zinc/74/62/60/357746260.db2.gz WTAHZWOSPMOUFW-UHFFFAOYSA-N 2 1 270.377 -0.654 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(C)C ZINC000641824714 357746427 /nfs/dbraw/zinc/74/64/27/357746427.db2.gz KUSKWJAXPCXGOH-TXEJJXNPSA-N 2 1 294.399 -0.498 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(C)C ZINC000641824714 357746430 /nfs/dbraw/zinc/74/64/30/357746430.db2.gz KUSKWJAXPCXGOH-TXEJJXNPSA-N 2 1 294.399 -0.498 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641825873 357746603 /nfs/dbraw/zinc/74/66/03/357746603.db2.gz YBXVITQFAJXEAF-JTQLQIEISA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641825873 357746604 /nfs/dbraw/zinc/74/66/04/357746604.db2.gz YBXVITQFAJXEAF-JTQLQIEISA-N 2 1 270.377 -0.655 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641824968 357746720 /nfs/dbraw/zinc/74/67/20/357746720.db2.gz OVTVLVOMNJYXBI-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641824968 357746723 /nfs/dbraw/zinc/74/67/23/357746723.db2.gz OVTVLVOMNJYXBI-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000641995209 357749173 /nfs/dbraw/zinc/74/91/73/357749173.db2.gz BYEUEOIMWGMYDC-RDBSUJKOSA-N 2 1 295.431 -0.232 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000642535597 357756058 /nfs/dbraw/zinc/75/60/58/357756058.db2.gz KYBWJPINHAMHKS-GVXVVHGQSA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000642535595 357756221 /nfs/dbraw/zinc/75/62/21/357756221.db2.gz KYBWJPINHAMHKS-DMDPSCGWSA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642718546 357759432 /nfs/dbraw/zinc/75/94/32/357759432.db2.gz RRFQAWYDHDNRNA-DMDPSCGWSA-N 2 1 294.399 -0.547 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000642718691 357759749 /nfs/dbraw/zinc/75/97/49/357759749.db2.gz HHELTBONFWNCJD-WZRBSPASSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)[N@@H+](C)C1CC1 ZINC000642773303 357760934 /nfs/dbraw/zinc/76/09/34/357760934.db2.gz LRGJDVQIOKZMKS-JTQLQIEISA-N 2 1 282.388 -0.547 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCC1 ZINC000642785742 357761972 /nfs/dbraw/zinc/76/19/72/357761972.db2.gz GRVXFWOTUSFVJM-GFCCVEGCSA-N 2 1 294.399 -0.416 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1[NH3+] ZINC000642785631 357762083 /nfs/dbraw/zinc/76/20/83/357762083.db2.gz AFGSBUURASPMGR-RAIGVLPGSA-N 2 1 294.399 -0.608 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785776 357762696 /nfs/dbraw/zinc/76/26/96/357762696.db2.gz JGRVXPLJQDUFBH-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000642809770 357763629 /nfs/dbraw/zinc/76/36/29/357763629.db2.gz OUAWDVMRZUTQAU-MNOVXSKESA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000642809771 357763899 /nfs/dbraw/zinc/76/38/99/357763899.db2.gz OUAWDVMRZUTQAU-QWRGUYRKSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000642907845 357766364 /nfs/dbraw/zinc/76/63/64/357766364.db2.gz IEYICGRGASGCHN-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642904362 357766688 /nfs/dbraw/zinc/76/66/88/357766688.db2.gz UOABEOLSMRBNNC-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642919325 357770268 /nfs/dbraw/zinc/77/02/68/357770268.db2.gz XBWIKTIUWYVJQM-UHFFFAOYSA-N 2 1 282.388 -0.591 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000642947278 357772528 /nfs/dbraw/zinc/77/25/28/357772528.db2.gz HALCQUIAGJLEMU-QWRGUYRKSA-N 2 1 270.377 -0.704 20 0 CBADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000642988388 357774961 /nfs/dbraw/zinc/77/49/61/357774961.db2.gz HAESEGFULHHZAN-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000643460783 357783371 /nfs/dbraw/zinc/78/33/71/357783371.db2.gz BFDBJDHCDWLGNV-GHMZBOCLSA-N 2 1 263.407 -0.145 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000643471904 357784185 /nfs/dbraw/zinc/78/41/85/357784185.db2.gz PEKYGBXBDLMMQD-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000643471886 357784412 /nfs/dbraw/zinc/78/44/12/357784412.db2.gz NWWQRSBXMHBTND-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000643585534 357790252 /nfs/dbraw/zinc/79/02/52/357790252.db2.gz CMVXRSQPQDRKOR-QNWHQSFQSA-N 2 1 294.399 -0.642 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261832692 283314865 /nfs/dbraw/zinc/31/48/65/283314865.db2.gz UFMNCHWMBBYLSF-WCQYABFASA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)[C@@H](C)C1 ZINC000341777013 216098615 /nfs/dbraw/zinc/09/86/15/216098615.db2.gz OYZKQAWYVLHGIP-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)[C@@H](C)C1 ZINC000341777013 216098617 /nfs/dbraw/zinc/09/86/17/216098617.db2.gz OYZKQAWYVLHGIP-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)[C@@H](C)C1 ZINC000341777013 216098618 /nfs/dbraw/zinc/09/86/18/216098618.db2.gz OYZKQAWYVLHGIP-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494895926 291210538 /nfs/dbraw/zinc/21/05/38/291210538.db2.gz FDIYSBGURHUQRS-KXNHARMFSA-N 2 1 253.346 -0.426 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496109940 283542770 /nfs/dbraw/zinc/54/27/70/283542770.db2.gz YVACGUGUIJGLRA-GHMZBOCLSA-N 2 1 291.392 -0.616 20 0 CBADMP [NH3+]C1(C[NH2+]CCn2nc3ccccn3c2=O)CCC1 ZINC000342145346 216237897 /nfs/dbraw/zinc/23/78/97/216237897.db2.gz SKVDQMNNFRZAJE-UHFFFAOYSA-N 2 1 261.329 -0.033 20 0 CBADMP C[C@@H](NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2)C(=O)N(C)C ZINC000358503745 296047716 /nfs/dbraw/zinc/04/77/16/296047716.db2.gz FKTQJMCKCDZREV-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+](C2CCC2)CC1 ZINC000262171689 296055574 /nfs/dbraw/zinc/05/55/74/296055574.db2.gz HWAYCYGASYJFKO-LBPRGKRZSA-N 2 1 253.346 -0.329 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000339631554 291307131 /nfs/dbraw/zinc/30/71/31/291307131.db2.gz LLWDSJHPJRHPJW-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000548123360 283812581 /nfs/dbraw/zinc/81/25/81/283812581.db2.gz CVCJYPJLDZTGHG-UHFFFAOYSA-N 2 1 291.355 -0.092 20 0 CBADMP CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186682496 283886891 /nfs/dbraw/zinc/88/68/91/283886891.db2.gz XMLSDQAAKLYNEH-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@]1(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)CC[NH2+]C1 ZINC000262022143 291380838 /nfs/dbraw/zinc/38/08/38/291380838.db2.gz NGBIEJKNFOHLFN-RYUDHWBXSA-N 2 1 275.418 -0.014 20 0 CBADMP C[C@]1(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)CC[NH2+]C1 ZINC000262022143 291380839 /nfs/dbraw/zinc/38/08/39/291380839.db2.gz NGBIEJKNFOHLFN-RYUDHWBXSA-N 2 1 275.418 -0.014 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000353471010 294411663 /nfs/dbraw/zinc/41/16/63/294411663.db2.gz RFSJKQRSLLOJAA-SDDRHHMPSA-N 2 1 287.404 -0.036 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)/C=C\C[NH+](C)C)CC[N@@H+](C)C1 ZINC000493236641 284111301 /nfs/dbraw/zinc/11/13/01/284111301.db2.gz HKLWVVKPVOCIFY-FOQNGQEVSA-N 2 1 283.372 -0.333 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000574336225 335011482 /nfs/dbraw/zinc/01/14/82/335011482.db2.gz LOVHPYXBGVRDPB-QLFBSQMISA-N 2 1 285.432 -0.049 20 0 CBADMP 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 296147831 /nfs/dbraw/zinc/14/78/31/296147831.db2.gz JUKACSPMMWDUIQ-QSLWVIQJSA-N 2 1 279.384 -0.348 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000331665408 204056369 /nfs/dbraw/zinc/05/63/69/204056369.db2.gz QXAFOYUHQWYAPQ-UPJWGTAASA-N 2 1 294.399 -0.450 20 0 CBADMP COC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420295174 284262016 /nfs/dbraw/zinc/26/20/16/284262016.db2.gz PCVBTROOGQLNHR-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420295174 284262017 /nfs/dbraw/zinc/26/20/17/284262017.db2.gz PCVBTROOGQLNHR-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H](C)O1 ZINC000331859218 204237197 /nfs/dbraw/zinc/23/71/97/204237197.db2.gz YDRLKCQDPQFNKD-KXNHARMFSA-N 2 1 255.362 -0.099 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H](C)O1 ZINC000331859218 204237201 /nfs/dbraw/zinc/23/72/01/204237201.db2.gz YDRLKCQDPQFNKD-KXNHARMFSA-N 2 1 255.362 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000331995324 204371516 /nfs/dbraw/zinc/37/15/16/204371516.db2.gz BHSRVGKAWONGHD-UPJWGTAASA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC1=O ZINC000344048786 217027605 /nfs/dbraw/zinc/02/76/05/217027605.db2.gz NWGZVYKFYGBKJW-QWHCGFSZSA-N 2 1 296.415 -0.536 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000344103036 217052834 /nfs/dbraw/zinc/05/28/34/217052834.db2.gz PBDCRMZESHAIOP-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000344103036 217052835 /nfs/dbraw/zinc/05/28/35/217052835.db2.gz PBDCRMZESHAIOP-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000344424849 217187180 /nfs/dbraw/zinc/18/71/80/217187180.db2.gz ZQBCVFMWDWDBLS-UPJWGTAASA-N 2 1 287.404 -0.164 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000333132206 205056125 /nfs/dbraw/zinc/05/61/25/205056125.db2.gz BWKQDYMDSGSMQF-OCCSQVGLSA-N 2 1 295.431 -0.327 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000068807572 372767447 /nfs/dbraw/zinc/76/74/47/372767447.db2.gz OSDRIHLIJDDXQM-TZMCWYRMSA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000333167383 205086955 /nfs/dbraw/zinc/08/69/55/205086955.db2.gz HOOVBYUBHLVNOO-RAIGVLPGSA-N 2 1 282.388 -0.243 20 0 CBADMP O=C(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N1CC[NH2+]CC1 ZINC000090906269 372773532 /nfs/dbraw/zinc/77/35/32/372773532.db2.gz YJPYKNNDXLGVKU-TXEJJXNPSA-N 2 1 253.346 -0.329 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000353431914 220077374 /nfs/dbraw/zinc/07/73/74/220077374.db2.gz MPDRYNLZZVMBBN-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000353431914 220077376 /nfs/dbraw/zinc/07/73/76/220077376.db2.gz MPDRYNLZZVMBBN-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000353431914 220077379 /nfs/dbraw/zinc/07/73/79/220077379.db2.gz MPDRYNLZZVMBBN-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000353431914 220077382 /nfs/dbraw/zinc/07/73/82/220077382.db2.gz MPDRYNLZZVMBBN-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000353451060 220090256 /nfs/dbraw/zinc/09/02/56/220090256.db2.gz PIQNYZMCYZFAEQ-WDEREUQCSA-N 2 1 259.350 -0.955 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H](C)[NH3+])CC2)C1 ZINC000178885341 372840425 /nfs/dbraw/zinc/84/04/25/372840425.db2.gz GJXXJFRDJGHJCD-UONOGXRCSA-N 2 1 298.431 -0.413 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000188137220 372848504 /nfs/dbraw/zinc/84/85/04/372848504.db2.gz ZXEXGVCGUKUDCV-NWDGAFQWSA-N 2 1 253.346 -0.329 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000188137220 372848511 /nfs/dbraw/zinc/84/85/11/372848511.db2.gz ZXEXGVCGUKUDCV-NWDGAFQWSA-N 2 1 253.346 -0.329 20 0 CBADMP CC[N@@H+]1CC[C@H]([NH2+]CCS(=O)(=O)NC)[C@H](C)C1 ZINC000187193189 372850054 /nfs/dbraw/zinc/85/00/54/372850054.db2.gz FQQLVIBPVKWVSW-MNOVXSKESA-N 2 1 263.407 -0.145 20 0 CBADMP CC[N@H+]1CC[C@H]([NH2+]CCS(=O)(=O)NC)[C@H](C)C1 ZINC000187193189 372850064 /nfs/dbraw/zinc/85/00/64/372850064.db2.gz FQQLVIBPVKWVSW-MNOVXSKESA-N 2 1 263.407 -0.145 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471695 372878532 /nfs/dbraw/zinc/87/85/32/372878532.db2.gz QDKZPOGPGPLFGO-HBNTYKKESA-N 2 1 268.361 -0.109 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCCN1CC[NH2+]CC1 ZINC000333282520 205182670 /nfs/dbraw/zinc/18/26/70/205182670.db2.gz MSQZJMUIPWPHCW-ZDUSSCGKSA-N 2 1 283.420 -0.373 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]([NH3+])CC(N)=O)C1CCCCC1 ZINC000353474433 220103503 /nfs/dbraw/zinc/10/35/03/220103503.db2.gz VBPNMGDYXXNMRC-NSHDSACASA-N 2 1 270.377 -0.430 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(N)=O)C1CCCCC1 ZINC000353474433 220103504 /nfs/dbraw/zinc/10/35/04/220103504.db2.gz VBPNMGDYXXNMRC-NSHDSACASA-N 2 1 270.377 -0.430 20 0 CBADMP CNC(=O)CC[NH+](C)C/C=C\C[N@H+](C)CCC(=O)NC ZINC000255492875 372901906 /nfs/dbraw/zinc/90/19/06/372901906.db2.gz BMFXYVFZKQXJTP-WAYWQWQTSA-N 2 1 284.404 -0.322 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333297351 205195974 /nfs/dbraw/zinc/19/59/74/205195974.db2.gz ILYDWXFBNQRNLH-AGIUHOORSA-N 2 1 284.404 -0.165 20 0 CBADMP O=C(CC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21)N1CC[NH2+]CC1 ZINC000261992083 372906996 /nfs/dbraw/zinc/90/69/96/372906996.db2.gz CWGMPCHOQKQIQA-OLZOCXBDSA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(CC[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21)N1CC[NH2+]CC1 ZINC000261992083 372907001 /nfs/dbraw/zinc/90/70/01/372907001.db2.gz CWGMPCHOQKQIQA-OLZOCXBDSA-N 2 1 294.399 -0.449 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000333358051 205251478 /nfs/dbraw/zinc/25/14/78/205251478.db2.gz KPAWSPRWNXPPPM-AGIUHOORSA-N 2 1 282.388 -0.290 20 0 CBADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353503597 220124357 /nfs/dbraw/zinc/12/43/57/220124357.db2.gz SCPYXFUBZPWJSH-NWDGAFQWSA-N 2 1 284.404 -0.040 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353503597 220124360 /nfs/dbraw/zinc/12/43/60/220124360.db2.gz SCPYXFUBZPWJSH-NWDGAFQWSA-N 2 1 284.404 -0.040 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C2([NH3+])CC2)CC1 ZINC000353498908 220119276 /nfs/dbraw/zinc/11/92/76/220119276.db2.gz CZCNGOLMSFIYTD-UHFFFAOYSA-N 2 1 282.388 -0.416 20 0 CBADMP C[NH2+][C@H](C(=O)N1CCC[N@H+](C)CC1)c1cnn(C)c1 ZINC000285924270 372948116 /nfs/dbraw/zinc/94/81/16/372948116.db2.gz FEBDIXDGWZTGJE-LBPRGKRZSA-N 2 1 265.361 -0.155 20 0 CBADMP C[NH2+][C@H](C(=O)N1CCC[N@@H+](C)CC1)c1cnn(C)c1 ZINC000285924270 372948119 /nfs/dbraw/zinc/94/81/19/372948119.db2.gz FEBDIXDGWZTGJE-LBPRGKRZSA-N 2 1 265.361 -0.155 20 0 CBADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)NC(N)=O)C2)C1 ZINC000331523543 372996069 /nfs/dbraw/zinc/99/60/69/372996069.db2.gz CPZHQAHVYYNYFG-CYBMUJFWSA-N 2 1 268.361 -0.011 20 0 CBADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)NC(N)=O)C2)C1 ZINC000331523543 372996075 /nfs/dbraw/zinc/99/60/75/372996075.db2.gz CPZHQAHVYYNYFG-CYBMUJFWSA-N 2 1 268.361 -0.011 20 0 CBADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)NC(N)=O)C2)C1 ZINC000331523543 372996083 /nfs/dbraw/zinc/99/60/83/372996083.db2.gz CPZHQAHVYYNYFG-CYBMUJFWSA-N 2 1 268.361 -0.011 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000353538676 220143735 /nfs/dbraw/zinc/14/37/35/220143735.db2.gz XXHCHYHVDMRMFD-ZDUSSCGKSA-N 2 1 286.420 -0.650 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000353538675 220144251 /nfs/dbraw/zinc/14/42/51/220144251.db2.gz XXHCHYHVDMRMFD-CYBMUJFWSA-N 2 1 286.420 -0.650 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000342375002 373046094 /nfs/dbraw/zinc/04/60/94/373046094.db2.gz OFICRJFOHLLHPJ-VXGBXAGGSA-N 2 1 257.378 -0.122 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000342375002 373046097 /nfs/dbraw/zinc/04/60/97/373046097.db2.gz OFICRJFOHLLHPJ-VXGBXAGGSA-N 2 1 257.378 -0.122 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000342375002 373046102 /nfs/dbraw/zinc/04/61/02/373046102.db2.gz OFICRJFOHLLHPJ-VXGBXAGGSA-N 2 1 257.378 -0.122 20 0 CBADMP O=C(CCOC1C[NH2+]C1)NCCC[NH+]1CCOCC1 ZINC000348992944 373086989 /nfs/dbraw/zinc/08/69/89/373086989.db2.gz PQIBHHDXRBYNBC-UHFFFAOYSA-N 2 1 271.361 -0.797 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000351850576 373100027 /nfs/dbraw/zinc/10/00/27/373100027.db2.gz JCVXODYTWZOPCI-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000351850576 373100032 /nfs/dbraw/zinc/10/00/32/373100032.db2.gz JCVXODYTWZOPCI-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000351851297 373100506 /nfs/dbraw/zinc/10/05/06/373100506.db2.gz LHZJBARXDWJEAM-OBJOEFQTSA-N 2 1 296.415 -0.265 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000352253223 373101719 /nfs/dbraw/zinc/10/17/19/373101719.db2.gz JGFAXAPDCYBERN-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000352253223 373101729 /nfs/dbraw/zinc/10/17/29/373101729.db2.gz JGFAXAPDCYBERN-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000347659834 373072770 /nfs/dbraw/zinc/07/27/70/373072770.db2.gz CTDZUJQXKWHDTL-GFCCVEGCSA-N 2 1 284.404 -0.168 20 0 CBADMP C[N@@H+](CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000354691278 373120797 /nfs/dbraw/zinc/12/07/97/373120797.db2.gz MHLWRHBYISGJML-LBPRGKRZSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358051851 373170038 /nfs/dbraw/zinc/17/00/38/373170038.db2.gz RYVDPBSWOXHJLA-GXTWGEPZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358051852 373170299 /nfs/dbraw/zinc/17/02/99/373170299.db2.gz RYVDPBSWOXHJLA-JSGCOSHPSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000360505209 373201987 /nfs/dbraw/zinc/20/19/87/373201987.db2.gz SWEWLKNPTVUFRX-HZMBPMFUSA-N 2 1 293.371 -0.367 20 0 CBADMP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCc3[nH]cnc3C2)C1 ZINC000360505209 373201995 /nfs/dbraw/zinc/20/19/95/373201995.db2.gz SWEWLKNPTVUFRX-HZMBPMFUSA-N 2 1 293.371 -0.367 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCc3[nH]cnc3C2)C1 ZINC000360505209 373202002 /nfs/dbraw/zinc/20/20/02/373202002.db2.gz SWEWLKNPTVUFRX-HZMBPMFUSA-N 2 1 293.371 -0.367 20 0 CBADMP C[C@]1(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CCC[NH2+]C1 ZINC000353592949 220179455 /nfs/dbraw/zinc/17/94/55/220179455.db2.gz UNPSGXNZANBRER-DOMZBBRYSA-N 2 1 296.415 -0.168 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC000361403781 373290402 /nfs/dbraw/zinc/29/04/02/373290402.db2.gz GIDHITMCIQXIJR-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC000361403781 373290412 /nfs/dbraw/zinc/29/04/12/373290412.db2.gz GIDHITMCIQXIJR-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000361555611 373306504 /nfs/dbraw/zinc/30/65/04/373306504.db2.gz BKYAPUYRIPKAIV-SWLSCSKDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000361555611 373306508 /nfs/dbraw/zinc/30/65/08/373306508.db2.gz BKYAPUYRIPKAIV-SWLSCSKDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000362069941 373364415 /nfs/dbraw/zinc/36/44/15/373364415.db2.gz WEGSHKWDMAFYFL-AWEZNQCLSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000362516573 373421146 /nfs/dbraw/zinc/42/11/46/373421146.db2.gz QRPHYAKBAPTAQY-QWHCGFSZSA-N 2 1 268.405 -0.452 20 0 CBADMP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000050247726 220194270 /nfs/dbraw/zinc/19/42/70/220194270.db2.gz VZQFUEXPKUQTCP-VIFPVBQESA-N 2 1 254.334 -0.403 20 0 CBADMP CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000050247726 220194273 /nfs/dbraw/zinc/19/42/73/220194273.db2.gz VZQFUEXPKUQTCP-VIFPVBQESA-N 2 1 254.334 -0.403 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362763855 373444255 /nfs/dbraw/zinc/44/42/55/373444255.db2.gz WTTKQXRTKJGJIP-QWHCGFSZSA-N 2 1 269.389 -0.025 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362763855 373444263 /nfs/dbraw/zinc/44/42/63/373444263.db2.gz WTTKQXRTKJGJIP-QWHCGFSZSA-N 2 1 269.389 -0.025 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000362836522 373451517 /nfs/dbraw/zinc/45/15/17/373451517.db2.gz HKXXRPKAMMPEOS-JHJVBQTASA-N 2 1 269.389 -0.027 20 0 CBADMP CC[N@@H+](CC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)C1CC1 ZINC000343590201 284398926 /nfs/dbraw/zinc/39/89/26/284398926.db2.gz TVRRYDOGDHBLLR-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[NH+](CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)C1CC1 ZINC000343590201 284398927 /nfs/dbraw/zinc/39/89/27/284398927.db2.gz TVRRYDOGDHBLLR-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[NH+](CC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)C1CC1 ZINC000343590201 284398929 /nfs/dbraw/zinc/39/89/29/284398929.db2.gz TVRRYDOGDHBLLR-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000363569121 373498252 /nfs/dbraw/zinc/49/82/52/373498252.db2.gz KAXNBFPRDLVKDD-QWHCGFSZSA-N 2 1 282.388 -0.193 20 0 CBADMP C[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000363569121 373498259 /nfs/dbraw/zinc/49/82/59/373498259.db2.gz KAXNBFPRDLVKDD-QWHCGFSZSA-N 2 1 282.388 -0.193 20 0 CBADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353640614 220212088 /nfs/dbraw/zinc/21/20/88/220212088.db2.gz BGYOUONUNVGVTC-ZJUUUORDSA-N 2 1 256.350 -0.820 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353640614 220212094 /nfs/dbraw/zinc/21/20/94/220212094.db2.gz BGYOUONUNVGVTC-ZJUUUORDSA-N 2 1 256.350 -0.820 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000398997228 373585555 /nfs/dbraw/zinc/58/55/55/373585555.db2.gz QBJTUDSRQQTMLV-ZDUSSCGKSA-N 2 1 268.405 -0.133 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000374402513 373561753 /nfs/dbraw/zinc/56/17/53/373561753.db2.gz NFBYJZYUCWAWAO-GFCCVEGCSA-N 2 1 294.330 -0.627 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000333759368 205678280 /nfs/dbraw/zinc/67/82/80/205678280.db2.gz AGEMDHCHVKGRMJ-XQQFMLRXSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@H]1CCC[NH+]1C ZINC000416295678 373625876 /nfs/dbraw/zinc/62/58/76/373625876.db2.gz MVAILHIIZPGNCP-JHJVBQTASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@H]1CCC[NH+]1C ZINC000416295678 373625882 /nfs/dbraw/zinc/62/58/82/373625882.db2.gz MVAILHIIZPGNCP-JHJVBQTASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000416295678 373625891 /nfs/dbraw/zinc/62/58/91/373625891.db2.gz MVAILHIIZPGNCP-JHJVBQTASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@H]1CCC[N@H+]1C ZINC000416295678 373625898 /nfs/dbraw/zinc/62/58/98/373625898.db2.gz MVAILHIIZPGNCP-JHJVBQTASA-N 2 1 269.389 -0.006 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417096213 373628911 /nfs/dbraw/zinc/62/89/11/373628911.db2.gz VTKXABMMWKTQOD-MNOVXSKESA-N 2 1 260.382 -0.010 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417277075 373629282 /nfs/dbraw/zinc/62/92/82/373629282.db2.gz GECGQSVVEFFAAL-TUAOUCFPSA-N 2 1 252.362 -0.059 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417439998 373629474 /nfs/dbraw/zinc/62/94/74/373629474.db2.gz NHENESGDAQYCGW-STQMWFEESA-N 2 1 284.404 -0.042 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417441398 373629858 /nfs/dbraw/zinc/62/98/58/373629858.db2.gz PXIBOXLCSOWGMD-VIFPVBQESA-N 2 1 282.335 -0.154 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000418537393 373633148 /nfs/dbraw/zinc/63/31/48/373633148.db2.gz CUEQCGGXIRNTEE-UTUOFQBUSA-N 2 1 272.393 -0.180 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419028417 373636774 /nfs/dbraw/zinc/63/67/74/373636774.db2.gz QHIRWTZKKBZAIB-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCC[N@H+]1C ZINC000419542366 373637764 /nfs/dbraw/zinc/63/77/64/373637764.db2.gz FJPSPHNNGNKUFQ-UTUOFQBUSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419415255 373638570 /nfs/dbraw/zinc/63/85/70/373638570.db2.gz VDHCPDYSCYPKCP-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC[N@@H+]1C ZINC000423604183 373658158 /nfs/dbraw/zinc/65/81/58/373658158.db2.gz HWDHUYAYVUOSIV-QWHCGFSZSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC[N@H+]1C ZINC000423604183 373658166 /nfs/dbraw/zinc/65/81/66/373658166.db2.gz HWDHUYAYVUOSIV-QWHCGFSZSA-N 2 1 296.415 -0.395 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC[NH3+])C[C@@H]1C ZINC000419821682 373640467 /nfs/dbraw/zinc/64/04/67/373640467.db2.gz UPMOXEPCTJECDW-UWVGGRQHSA-N 2 1 256.350 -0.998 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC[NH3+])C[C@@H]1C ZINC000419821682 373640473 /nfs/dbraw/zinc/64/04/73/373640473.db2.gz UPMOXEPCTJECDW-UWVGGRQHSA-N 2 1 256.350 -0.998 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419837551 373640677 /nfs/dbraw/zinc/64/06/77/373640677.db2.gz DDJPDJCNOXYLLW-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419837551 373640681 /nfs/dbraw/zinc/64/06/81/373640681.db2.gz DDJPDJCNOXYLLW-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419844989 373640818 /nfs/dbraw/zinc/64/08/18/373640818.db2.gz CYTBZLJWKOVNOE-CYBMUJFWSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419844989 373640824 /nfs/dbraw/zinc/64/08/24/373640824.db2.gz CYTBZLJWKOVNOE-CYBMUJFWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000419591549 373640884 /nfs/dbraw/zinc/64/08/84/373640884.db2.gz RHNVJQGHGIJQJS-QWRGUYRKSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000419580874 373641783 /nfs/dbraw/zinc/64/17/83/373641783.db2.gz HVFSLDMTQOUWKP-CMPLNLGQSA-N 2 1 282.388 -0.465 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)C(C)C ZINC000419914592 373642694 /nfs/dbraw/zinc/64/26/94/373642694.db2.gz OFMAEYQQBZSXRG-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000419893436 373644001 /nfs/dbraw/zinc/64/40/01/373644001.db2.gz MBYRCPWNUWQZCR-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000419893436 373644012 /nfs/dbraw/zinc/64/40/12/373644012.db2.gz MBYRCPWNUWQZCR-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420006719 373647010 /nfs/dbraw/zinc/64/70/10/373647010.db2.gz RHOSNKNBCITLQL-NEPJUHHUSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420006719 373647016 /nfs/dbraw/zinc/64/70/16/373647016.db2.gz RHOSNKNBCITLQL-NEPJUHHUSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000422561158 373651679 /nfs/dbraw/zinc/65/16/79/373651679.db2.gz JKLKQOUZNKWRFS-UTUOFQBUSA-N 2 1 294.399 -0.111 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C1 ZINC000423666457 373660405 /nfs/dbraw/zinc/66/04/05/373660405.db2.gz LXGOAEMCSDPGPP-YVECIDJPSA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C1 ZINC000423666457 373660414 /nfs/dbraw/zinc/66/04/14/373660414.db2.gz LXGOAEMCSDPGPP-YVECIDJPSA-N 2 1 296.415 -0.267 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC[N@@H+]1C ZINC000423723155 373663659 /nfs/dbraw/zinc/66/36/59/373663659.db2.gz QGHDYCRLXUYUBC-RYUDHWBXSA-N 2 1 284.404 -0.409 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC[N@H+]1C ZINC000423723155 373663671 /nfs/dbraw/zinc/66/36/71/373663671.db2.gz QGHDYCRLXUYUBC-RYUDHWBXSA-N 2 1 284.404 -0.409 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000424196589 373664687 /nfs/dbraw/zinc/66/46/87/373664687.db2.gz NDUUJHYGZMGPOS-QWHCGFSZSA-N 2 1 276.340 -0.457 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424171769 373664780 /nfs/dbraw/zinc/66/47/80/373664780.db2.gz JKYOEAKKCKRVSX-YNEHKIRRSA-N 2 1 267.373 -0.083 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000430801012 373675581 /nfs/dbraw/zinc/67/55/81/373675581.db2.gz WMLKJBCPXGYOGX-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000431015664 373675732 /nfs/dbraw/zinc/67/57/32/373675732.db2.gz PZGVCBMTRJMWBJ-QWHCGFSZSA-N 2 1 268.405 -0.404 20 0 CBADMP C[C@@H]([NH3+])CCC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000434678684 373678140 /nfs/dbraw/zinc/67/81/40/373678140.db2.gz JNLIWCWHTDYBGQ-NEPJUHHUSA-N 2 1 256.394 -0.134 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1C[NH2+]CCO1 ZINC000444192174 373683838 /nfs/dbraw/zinc/68/38/38/373683838.db2.gz YETBHOUKOSETNZ-QJPTWQEYSA-N 2 1 253.346 -0.282 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000447436577 373685329 /nfs/dbraw/zinc/68/53/29/373685329.db2.gz ADOBDMVSULDHMT-DLOVCJGASA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@@H](CNC(=O)Cn1ccnc1)CN1CC[NH+](C)CC1 ZINC000515024675 373772672 /nfs/dbraw/zinc/77/26/72/373772672.db2.gz OCKVVZUYLUAFPP-ZDUSSCGKSA-N 2 1 279.388 -0.117 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)/C=C/C[NH+](C)C ZINC000493800889 373731114 /nfs/dbraw/zinc/73/11/14/373731114.db2.gz DBQSAEODGCIAEY-ZYOFXKKJSA-N 2 1 255.362 -0.371 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)/C=C/C[NH+](C)C ZINC000493800889 373731119 /nfs/dbraw/zinc/73/11/19/373731119.db2.gz DBQSAEODGCIAEY-ZYOFXKKJSA-N 2 1 255.362 -0.371 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000353667959 220239677 /nfs/dbraw/zinc/23/96/77/220239677.db2.gz LEGABXRWLHFTSV-ZDUSSCGKSA-N 2 1 284.404 -0.362 20 0 CBADMP C[NH+](C)CC1(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CCC1 ZINC000516363714 373811304 /nfs/dbraw/zinc/81/13/04/373811304.db2.gz BUPZJYIHYUVLKK-CYBMUJFWSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+](C)CC1(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCC1 ZINC000516363717 373811449 /nfs/dbraw/zinc/81/14/49/373811449.db2.gz BUPZJYIHYUVLKK-ZDUSSCGKSA-N 2 1 280.416 -0.023 20 0 CBADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)[C@H]1CC[NH2+]1 ZINC000516650142 373818416 /nfs/dbraw/zinc/81/84/16/373818416.db2.gz NLTFBPKJJAJWBH-WXRRBKDZSA-N 2 1 266.389 -0.319 20 0 CBADMP NC(=O)c1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000521069884 373839693 /nfs/dbraw/zinc/83/96/93/373839693.db2.gz WUQMSEWSPOAKQH-OLZOCXBDSA-N 2 1 288.351 -0.471 20 0 CBADMP NC(=O)c1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000521069884 373839699 /nfs/dbraw/zinc/83/96/99/373839699.db2.gz WUQMSEWSPOAKQH-OLZOCXBDSA-N 2 1 288.351 -0.471 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000524466078 373885084 /nfs/dbraw/zinc/88/50/84/373885084.db2.gz NXOOOGUSRZDAPK-JSGCOSHPSA-N 2 1 295.431 -0.232 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000524466078 373885092 /nfs/dbraw/zinc/88/50/92/373885092.db2.gz NXOOOGUSRZDAPK-JSGCOSHPSA-N 2 1 295.431 -0.232 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000524466078 373885099 /nfs/dbraw/zinc/88/50/99/373885099.db2.gz NXOOOGUSRZDAPK-JSGCOSHPSA-N 2 1 295.431 -0.232 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC[NH+]1CC=CCC1 ZINC000525990028 373893783 /nfs/dbraw/zinc/89/37/83/373893783.db2.gz GJKQPPGJQWIMCN-CQSZACIVSA-N 2 1 295.431 -0.207 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000525990028 373893792 /nfs/dbraw/zinc/89/37/92/373893792.db2.gz GJKQPPGJQWIMCN-CQSZACIVSA-N 2 1 295.431 -0.207 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000525990028 373893799 /nfs/dbraw/zinc/89/37/99/373893799.db2.gz GJKQPPGJQWIMCN-CQSZACIVSA-N 2 1 295.431 -0.207 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000521998603 373856083 /nfs/dbraw/zinc/85/60/83/373856083.db2.gz YWUPNOMXXFVGEG-STQMWFEESA-N 2 1 296.415 -0.183 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N1CC[NH+](C)CC1 ZINC000522265193 373867318 /nfs/dbraw/zinc/86/73/18/373867318.db2.gz LHEKIAZQPLVZJH-STQMWFEESA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000527252922 373909729 /nfs/dbraw/zinc/90/97/29/373909729.db2.gz CKHSINFDUVIDIL-AGIUHOORSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000527252922 373909738 /nfs/dbraw/zinc/90/97/38/373909738.db2.gz CKHSINFDUVIDIL-AGIUHOORSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC000527252922 373909749 /nfs/dbraw/zinc/90/97/49/373909749.db2.gz CKHSINFDUVIDIL-AGIUHOORSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC000527252922 373909759 /nfs/dbraw/zinc/90/97/59/373909759.db2.gz CKHSINFDUVIDIL-AGIUHOORSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000574454066 335021273 /nfs/dbraw/zinc/02/12/73/335021273.db2.gz OMJUUIATCHWSER-AGIUHOORSA-N 2 1 268.405 -0.264 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529297377 374000405 /nfs/dbraw/zinc/00/04/05/374000405.db2.gz DPHAKALIWXRIJC-GHMZBOCLSA-N 2 1 256.350 -0.632 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000529381082 374022155 /nfs/dbraw/zinc/02/21/55/374022155.db2.gz XFNPHXOHOVKGIL-OLZOCXBDSA-N 2 1 284.404 -0.044 20 0 CBADMP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000531297114 374128344 /nfs/dbraw/zinc/12/83/44/374128344.db2.gz PVRKMKBNISEHLB-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000531297114 374128353 /nfs/dbraw/zinc/12/83/53/374128353.db2.gz PVRKMKBNISEHLB-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000531297114 374128365 /nfs/dbraw/zinc/12/83/65/374128365.db2.gz PVRKMKBNISEHLB-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000531297114 374128370 /nfs/dbraw/zinc/12/83/70/374128370.db2.gz PVRKMKBNISEHLB-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NCC[NH+](C)C ZINC000552082089 374261371 /nfs/dbraw/zinc/26/13/71/374261371.db2.gz FZGZPNBXKITMFH-XQQFMLRXSA-N 2 1 298.431 -0.101 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000551897976 374248940 /nfs/dbraw/zinc/24/89/40/374248940.db2.gz FMTPBMURCTYGLI-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000564740008 374327761 /nfs/dbraw/zinc/32/77/61/374327761.db2.gz MTKFULFAUVMJCB-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000583756353 374365938 /nfs/dbraw/zinc/36/59/38/374365938.db2.gz ZZBVOCWITSYLOK-YPMHNXCESA-N 2 1 255.362 -0.177 20 0 CBADMP CN(C)c1ncc(C[N@H+](C)CCN2CC[NH2+]CC2)cn1 ZINC000583811868 374367126 /nfs/dbraw/zinc/36/71/26/374367126.db2.gz DEXLLPHSKYLXTK-UHFFFAOYSA-N 2 1 278.404 -0.120 20 0 CBADMP CN(C)c1ncc(C[N@@H+](C)CCN2CC[NH2+]CC2)cn1 ZINC000583811868 374367134 /nfs/dbraw/zinc/36/71/34/374367134.db2.gz DEXLLPHSKYLXTK-UHFFFAOYSA-N 2 1 278.404 -0.120 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000577955505 374346149 /nfs/dbraw/zinc/34/61/49/374346149.db2.gz WATSDRFDFQQDKK-MNOVXSKESA-N 2 1 271.361 -0.275 20 0 CBADMP COC(=O)c1cn(CC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)nn1 ZINC000578065237 374351206 /nfs/dbraw/zinc/35/12/06/374351206.db2.gz RWPKGKGPDAQTFC-LLVKDONJSA-N 2 1 297.359 -0.891 20 0 CBADMP COC(=O)c1cn(CC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)nn1 ZINC000578065237 374351213 /nfs/dbraw/zinc/35/12/13/374351213.db2.gz RWPKGKGPDAQTFC-LLVKDONJSA-N 2 1 297.359 -0.891 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)[C@@H]2C1 ZINC000643794223 374422143 /nfs/dbraw/zinc/42/21/43/374422143.db2.gz LXTKIYZONQWVEL-JHJVBQTASA-N 2 1 267.373 -0.225 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644129658 374490526 /nfs/dbraw/zinc/49/05/26/374490526.db2.gz BOBTVDYYYYSUFV-QWRGUYRKSA-N 2 1 277.372 -0.109 20 0 CBADMP O=C(C[NH2+]C[C@H]1CCCO1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000644124479 374490924 /nfs/dbraw/zinc/49/09/24/374490924.db2.gz MYHXULBTHKQMPA-NXEZZACHSA-N 2 1 277.315 -0.180 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCCNC1=O)C1CC1 ZINC000644555022 374592121 /nfs/dbraw/zinc/59/21/21/374592121.db2.gz AOPWOGNGTMYCTQ-JQWIXIFHSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCCNC1=O)C1CC1 ZINC000644555022 374592130 /nfs/dbraw/zinc/59/21/30/374592130.db2.gz AOPWOGNGTMYCTQ-JQWIXIFHSA-N 2 1 255.362 -0.443 20 0 CBADMP OC1(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CCC1 ZINC000644569805 374597087 /nfs/dbraw/zinc/59/70/87/374597087.db2.gz ZPKVUBHZSXEKLK-AWEZNQCLSA-N 2 1 283.416 -0.103 20 0 CBADMP C[C@@H](O)C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000644569669 374597455 /nfs/dbraw/zinc/59/74/55/374597455.db2.gz LHETTYVYVDLFAV-CHWSQXEVSA-N 2 1 257.378 -0.637 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCCC(=O)N1)C1CC1 ZINC000644635311 374604450 /nfs/dbraw/zinc/60/44/50/374604450.db2.gz YBWKMHSMUIVTOO-JQWIXIFHSA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCCC(=O)N1)C1CC1 ZINC000644635311 374604453 /nfs/dbraw/zinc/60/44/53/374604453.db2.gz YBWKMHSMUIVTOO-JQWIXIFHSA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@@H+]1C[C@H]2CCN(CC(=O)N3CC[NH+](C)CC3)[C@H]2C1 ZINC000644729790 374615422 /nfs/dbraw/zinc/61/54/22/374615422.db2.gz GWPPEJPMFDJHTA-OLZOCXBDSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@H+]1C[C@H]2CCN(CC(=O)N3CC[NH+](C)CC3)[C@H]2C1 ZINC000644729790 374615425 /nfs/dbraw/zinc/61/54/25/374615425.db2.gz GWPPEJPMFDJHTA-OLZOCXBDSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645684663 374693192 /nfs/dbraw/zinc/69/31/92/374693192.db2.gz DGWFTLKNJORMQV-GHMZBOCLSA-N 2 1 268.361 -0.935 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+](CCO)C1CCOCC1 ZINC000574529301 335027577 /nfs/dbraw/zinc/02/75/77/335027577.db2.gz BTEDRODLSWOFGM-CYBMUJFWSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CCO)C1CCOCC1 ZINC000574529301 335027578 /nfs/dbraw/zinc/02/75/78/335027578.db2.gz BTEDRODLSWOFGM-CYBMUJFWSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+](CCO)C1CCOCC1 ZINC000574529301 335027579 /nfs/dbraw/zinc/02/75/79/335027579.db2.gz BTEDRODLSWOFGM-CYBMUJFWSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CCO)C1CCOCC1 ZINC000574529301 335027580 /nfs/dbraw/zinc/02/75/80/335027580.db2.gz BTEDRODLSWOFGM-CYBMUJFWSA-N 2 1 260.378 -0.228 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000646215491 374758808 /nfs/dbraw/zinc/75/88/08/374758808.db2.gz OMPHFPGCVSLAQW-SRVKXCTJSA-N 2 1 272.393 -0.180 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CC2([NH3+])CCC2)C1 ZINC000645869484 374709918 /nfs/dbraw/zinc/70/99/18/374709918.db2.gz HFDAKVNUCOLAEX-GFCCVEGCSA-N 2 1 296.415 -0.039 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000645951643 374717736 /nfs/dbraw/zinc/71/77/36/374717736.db2.gz SATMMSDEGDRZQE-WOPDTQHZSA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000645978121 374720629 /nfs/dbraw/zinc/72/06/29/374720629.db2.gz SNOMYCKMLFPCEN-NEPJUHHUSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H](C[NH3+])C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645978121 374720637 /nfs/dbraw/zinc/72/06/37/374720637.db2.gz SNOMYCKMLFPCEN-NEPJUHHUSA-N 2 1 268.405 -0.134 20 0 CBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH2+]3)C2)CC1 ZINC000645977752 374720742 /nfs/dbraw/zinc/72/07/42/374720742.db2.gz KYWVUKOKOKEHRG-WCQYABFASA-N 2 1 266.389 -0.367 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH2+]3)C2)CC1 ZINC000645977752 374720748 /nfs/dbraw/zinc/72/07/48/374720748.db2.gz KYWVUKOKOKEHRG-WCQYABFASA-N 2 1 266.389 -0.367 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H](C)[NH3+] ZINC000646009355 374726485 /nfs/dbraw/zinc/72/64/85/374726485.db2.gz DXNQQVNRCCRSIR-HZSPNIEDSA-N 2 1 298.431 -0.508 20 0 CBADMP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009606 374727428 /nfs/dbraw/zinc/72/74/28/374727428.db2.gz WUBYQWGQCKGXJG-QWHCGFSZSA-N 2 1 284.404 -0.754 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000646242978 374762226 /nfs/dbraw/zinc/76/22/26/374762226.db2.gz PZVRNAVPEKMHHM-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)CN1CC[NH+](C)CC1 ZINC000646108726 374740145 /nfs/dbraw/zinc/74/01/45/374740145.db2.gz XGYMUPKKOYOXOH-STQMWFEESA-N 2 1 282.432 -0.016 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)CN1CC[NH+](C)CC1 ZINC000646108724 374741097 /nfs/dbraw/zinc/74/10/97/374741097.db2.gz XGYMUPKKOYOXOH-QWHCGFSZSA-N 2 1 282.432 -0.016 20 0 CBADMP C[NH+](C)CCN1CCC(CNC(=O)COCC[NH3+])CC1 ZINC000646427605 374777911 /nfs/dbraw/zinc/77/79/11/374777911.db2.gz RYOKYCBXZLQXMG-UHFFFAOYSA-N 2 1 286.420 -0.649 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000647086623 374883776 /nfs/dbraw/zinc/88/37/76/374883776.db2.gz MUCKEFBJZJIYDN-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)N1CC[NH+](C)CC1 ZINC000646936988 374844434 /nfs/dbraw/zinc/84/44/34/374844434.db2.gz CMSXDFGUGDITKL-MGPQQGTHSA-N 2 1 280.416 -0.215 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)N1CC[NH+](C)CC1 ZINC000646936988 374844441 /nfs/dbraw/zinc/84/44/41/374844441.db2.gz CMSXDFGUGDITKL-MGPQQGTHSA-N 2 1 280.416 -0.215 20 0 CBADMP O=C(C[C@@H]1CC[NH2+]C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000646975058 374854123 /nfs/dbraw/zinc/85/41/23/374854123.db2.gz WNIFDOFQOMVGKD-QWHCGFSZSA-N 2 1 294.399 -0.591 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)C1 ZINC000356399505 248244060 /nfs/dbraw/zinc/24/40/60/248244060.db2.gz ZSUYQWABYXPAFM-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)C1 ZINC000356399505 248244065 /nfs/dbraw/zinc/24/40/65/248244065.db2.gz ZSUYQWABYXPAFM-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N(C)CC[NH+](C)C)C1 ZINC000356087720 248198269 /nfs/dbraw/zinc/19/82/69/248198269.db2.gz JCTQGMYGVSKNSS-LBPRGKRZSA-N 2 1 272.393 -0.090 20 0 CBADMP C[C@@H](CNC(=O)[C@@H](C)C[NH3+])CN1CC[NH+](C)CC1 ZINC000357240094 248337423 /nfs/dbraw/zinc/33/74/23/248337423.db2.gz JEWBFGBOFLASHH-RYUDHWBXSA-N 2 1 256.394 -0.419 20 0 CBADMP NC(=O)C[N@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000357072261 248318382 /nfs/dbraw/zinc/31/83/82/248318382.db2.gz HCSVFQWETODAFY-UHFFFAOYSA-N 2 1 251.330 -0.051 20 0 CBADMP NC(=O)C[N@@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000357072261 248318386 /nfs/dbraw/zinc/31/83/86/248318386.db2.gz HCSVFQWETODAFY-UHFFFAOYSA-N 2 1 251.330 -0.051 20 0 CBADMP Cc1cnn(C[C@@H]2C[N@H+](CCOCC[NH3+])CCO2)c1 ZINC000357093559 248320677 /nfs/dbraw/zinc/32/06/77/248320677.db2.gz WOWLJFJANAGDQE-ZDUSSCGKSA-N 2 1 268.361 -0.132 20 0 CBADMP Cc1cnn(C[C@@H]2C[N@@H+](CCOCC[NH3+])CCO2)c1 ZINC000357093559 248320682 /nfs/dbraw/zinc/32/06/82/248320682.db2.gz WOWLJFJANAGDQE-ZDUSSCGKSA-N 2 1 268.361 -0.132 20 0 CBADMP C[C@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000357249354 248341076 /nfs/dbraw/zinc/34/10/76/248341076.db2.gz SEMRDJANRNHQFP-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH+](C)C/C=C/C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000265687878 190200321 /nfs/dbraw/zinc/20/03/21/190200321.db2.gz MGGCEUOQRLXIPP-RPTYSRGTSA-N 2 1 282.388 -0.440 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000574661208 335038229 /nfs/dbraw/zinc/03/82/29/335038229.db2.gz OZAHFCWKFSLBAL-DGCLKSJQSA-N 2 1 257.378 -0.243 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000574680997 335039113 /nfs/dbraw/zinc/03/91/13/335039113.db2.gz WPKQHVCGTASUHM-QWHCGFSZSA-N 2 1 283.420 -0.374 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3COCC[NH2+]3)C[C@H]21 ZINC000342716648 295309049 /nfs/dbraw/zinc/30/90/49/295309049.db2.gz DFVLLDLUBIAJLX-DDHJBXDOSA-N 2 1 253.346 -0.439 20 0 CBADMP C[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@H]1[NH3+] ZINC000347057381 218108536 /nfs/dbraw/zinc/10/85/36/218108536.db2.gz VYUDCKMYQNKYSP-MWLCHTKSSA-N 2 1 266.345 -0.747 20 0 CBADMP Cn1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC000347081383 218116111 /nfs/dbraw/zinc/11/61/11/218116111.db2.gz YLINYJSURUCLRC-JTQLQIEISA-N 2 1 266.345 -0.745 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCC[NH+](C)C1CC1 ZINC000347096874 218120181 /nfs/dbraw/zinc/12/01/81/218120181.db2.gz GBBIGWKUWYANDU-UHFFFAOYSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[NH+](CCO)CCNC(=O)NCC[N@H+](C)C1CC1 ZINC000347096874 218120182 /nfs/dbraw/zinc/12/01/82/218120182.db2.gz GBBIGWKUWYANDU-UHFFFAOYSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[NH+](CCO)CCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000347096874 218120184 /nfs/dbraw/zinc/12/01/84/218120184.db2.gz GBBIGWKUWYANDU-UHFFFAOYSA-N 2 1 272.393 -0.306 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000347642546 218302099 /nfs/dbraw/zinc/30/20/99/218302099.db2.gz AVQGHWBJLQZRQO-LBPRGKRZSA-N 2 1 282.388 -0.558 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000353707008 220270603 /nfs/dbraw/zinc/27/06/03/220270603.db2.gz GXTJEQMTRZGTBR-NEPJUHHUSA-N 2 1 282.388 -0.430 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000353707008 220270605 /nfs/dbraw/zinc/27/06/05/220270605.db2.gz GXTJEQMTRZGTBR-NEPJUHHUSA-N 2 1 282.388 -0.430 20 0 CBADMP CC[N@H+](CCO)CCNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000347794977 218359795 /nfs/dbraw/zinc/35/97/95/218359795.db2.gz PMTPDUDIPSSVJW-GFCCVEGCSA-N 2 1 289.445 -0.146 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000347794977 218359797 /nfs/dbraw/zinc/35/97/97/218359797.db2.gz PMTPDUDIPSSVJW-GFCCVEGCSA-N 2 1 289.445 -0.146 20 0 CBADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)NC(N)=O)CC[N@@H+]1C ZINC000123985298 207371459 /nfs/dbraw/zinc/37/14/59/207371459.db2.gz CMHXXQOECAUJGD-NXEZZACHSA-N 2 1 256.350 -0.014 20 0 CBADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)NC(N)=O)CC[N@H+]1C ZINC000123985298 207371467 /nfs/dbraw/zinc/37/14/67/207371467.db2.gz CMHXXQOECAUJGD-NXEZZACHSA-N 2 1 256.350 -0.014 20 0 CBADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)NC(N)=O)CC[NH+]1C ZINC000123985298 207371471 /nfs/dbraw/zinc/37/14/71/207371471.db2.gz CMHXXQOECAUJGD-NXEZZACHSA-N 2 1 256.350 -0.014 20 0 CBADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)NC(N)=O)CC[NH+]1C ZINC000123985298 207371477 /nfs/dbraw/zinc/37/14/77/207371477.db2.gz CMHXXQOECAUJGD-NXEZZACHSA-N 2 1 256.350 -0.014 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000164470835 207399269 /nfs/dbraw/zinc/39/92/69/207399269.db2.gz PHSZVBHBWUWDOR-ZDUSSCGKSA-N 2 1 285.388 -0.454 20 0 CBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000168942063 207401010 /nfs/dbraw/zinc/40/10/10/207401010.db2.gz QTNNCASXRBTBPJ-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417813559 207565186 /nfs/dbraw/zinc/56/51/86/207565186.db2.gz MKTRBLQIKLOBGV-ZDUSSCGKSA-N 2 1 285.436 -0.079 20 0 CBADMP COCC[NH+]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000418504127 207589640 /nfs/dbraw/zinc/58/96/40/207589640.db2.gz ZXYWAWHYGSDYKW-GFCCVEGCSA-N 2 1 270.377 -0.303 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH3+] ZINC000419587611 207712033 /nfs/dbraw/zinc/71/20/33/207712033.db2.gz NPWFPHAJJVTZLQ-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCCN1CC[NH2+]CC1 ZINC000428735684 208100017 /nfs/dbraw/zinc/10/00/17/208100017.db2.gz WXBVJIJBQBWWGL-UHFFFAOYSA-N 2 1 256.394 -0.260 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000428194030 208081797 /nfs/dbraw/zinc/08/17/97/208081797.db2.gz JAYXNTXPYGOZAJ-GFCCVEGCSA-N 2 1 254.378 -0.508 20 0 CBADMP CC[N@H+]1CCCN(C(=O)NC[C@H]2C[NH+](C)CCN2C)CC1 ZINC000428686296 208096602 /nfs/dbraw/zinc/09/66/02/208096602.db2.gz BAVZWASZBNWQCG-AWEZNQCLSA-N 2 1 297.447 -0.031 20 0 CBADMP CC[NH+]1CCCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000428686296 208096609 /nfs/dbraw/zinc/09/66/09/208096609.db2.gz BAVZWASZBNWQCG-AWEZNQCLSA-N 2 1 297.447 -0.031 20 0 CBADMP CC[NH+]1CCCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000428686296 208096616 /nfs/dbraw/zinc/09/66/16/208096616.db2.gz BAVZWASZBNWQCG-AWEZNQCLSA-N 2 1 297.447 -0.031 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000430711406 208174896 /nfs/dbraw/zinc/17/48/96/208174896.db2.gz FHKJAJJXPPNPBL-AAEUAGOBSA-N 2 1 255.362 -0.177 20 0 CBADMP CCS(=O)(=O)NCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430568871 208165094 /nfs/dbraw/zinc/16/50/94/208165094.db2.gz KVYGDSXYAZGXAC-SNVBAGLBSA-N 2 1 251.396 -0.111 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430576400 208165545 /nfs/dbraw/zinc/16/55/45/208165545.db2.gz XFEPQDSMZJFYHY-QWRGUYRKSA-N 2 1 263.407 -0.015 20 0 CBADMP COCC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430900714 285074021 /nfs/dbraw/zinc/07/40/21/285074021.db2.gz QSHQNGHXIGOYRY-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000430718315 208175062 /nfs/dbraw/zinc/17/50/62/208175062.db2.gz BVVFDUBYIZOBMN-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000430621778 208168855 /nfs/dbraw/zinc/16/88/55/208168855.db2.gz DMQCSQWMOUIJQV-JTQLQIEISA-N 2 1 252.318 -0.039 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000430621778 208168860 /nfs/dbraw/zinc/16/88/60/208168860.db2.gz DMQCSQWMOUIJQV-JTQLQIEISA-N 2 1 252.318 -0.039 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(C)(C)C[NH3+])CC1 ZINC000430718082 208174203 /nfs/dbraw/zinc/17/42/03/208174203.db2.gz GEIZLTDBKHXKQA-UHFFFAOYSA-N 2 1 284.404 -0.360 20 0 CBADMP COCC[NH2+]CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000431021656 285076375 /nfs/dbraw/zinc/07/63/75/285076375.db2.gz AGNXDWPZYJVVID-JQWIXIFHSA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@@H]([NH3+])CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000430763874 208177364 /nfs/dbraw/zinc/17/73/64/208177364.db2.gz OSVWYGUFURXRRJ-SNVBAGLBSA-N 2 1 256.350 -0.996 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@@H]2COCC[NH2+]2)CCOCC1 ZINC000430742336 208179694 /nfs/dbraw/zinc/17/96/94/208179694.db2.gz WBXPPENLGZVHMB-NSHDSACASA-N 2 1 271.361 -0.798 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000430737737 208179895 /nfs/dbraw/zinc/17/98/95/208179895.db2.gz CAWYFBPAMJKUGU-LBPRGKRZSA-N 2 1 271.361 -0.845 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCNC(=O)COC1C[NH2+]C1 ZINC000430768189 208180309 /nfs/dbraw/zinc/18/03/09/208180309.db2.gz ZYPMESDYXGNBKT-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)COC1C[NH2+]C1 ZINC000430768188 208181208 /nfs/dbraw/zinc/18/12/08/208181208.db2.gz ZYPMESDYXGNBKT-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)COC1C[NH2+]C1 ZINC000430805719 208184536 /nfs/dbraw/zinc/18/45/36/208184536.db2.gz ATMXOOIDCLIQJW-UHFFFAOYSA-N 2 1 259.350 -0.941 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000430882002 208185996 /nfs/dbraw/zinc/18/59/96/208185996.db2.gz GPMNSBZPRSMNHM-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1(C[NH3+])CCCC1 ZINC000430890081 208186398 /nfs/dbraw/zinc/18/63/98/208186398.db2.gz OYLURSJKTQKZFN-GFCCVEGCSA-N 2 1 296.415 -0.039 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000430891753 208187229 /nfs/dbraw/zinc/18/72/29/208187229.db2.gz WZVJEGFBPVXTEU-NEPJUHHUSA-N 2 1 284.404 -0.455 20 0 CBADMP C[NH2+]CCCC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430892937 208188309 /nfs/dbraw/zinc/18/83/09/208188309.db2.gz HCSDIRWQGAHWPM-GFCCVEGCSA-N 2 1 284.404 -0.310 20 0 CBADMP CC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000430901677 208191148 /nfs/dbraw/zinc/19/11/48/208191148.db2.gz VYJCMQDOBHGGCF-VHSXEESVSA-N 2 1 256.350 -0.820 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430928525 208192345 /nfs/dbraw/zinc/19/23/45/208192345.db2.gz LRUZKLFJAOLRHO-OBJOEFQTSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430928525 208192348 /nfs/dbraw/zinc/19/23/48/208192348.db2.gz LRUZKLFJAOLRHO-OBJOEFQTSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(CC)CC1 ZINC000431003642 208194539 /nfs/dbraw/zinc/19/45/39/208194539.db2.gz GZCHQXXQXYVZAG-LBPRGKRZSA-N 2 1 256.394 -0.133 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000431012921 208198085 /nfs/dbraw/zinc/19/80/85/208198085.db2.gz HAEKQOCJQJRPCG-MGPQQGTHSA-N 2 1 297.399 -0.456 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000431007973 208198900 /nfs/dbraw/zinc/19/89/00/208198900.db2.gz WZKOTVQKYJKXDZ-CHWSQXEVSA-N 2 1 270.421 -0.031 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000431012917 208199695 /nfs/dbraw/zinc/19/96/95/208199695.db2.gz HAEKQOCJQJRPCG-HZSPNIEDSA-N 2 1 297.399 -0.456 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000431015663 208200399 /nfs/dbraw/zinc/20/03/99/208200399.db2.gz PZGVCBMTRJMWBJ-OLZOCXBDSA-N 2 1 268.405 -0.404 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000432543249 208227863 /nfs/dbraw/zinc/22/78/63/208227863.db2.gz ZIYYYVWMOKTMAR-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[C@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000433134311 208240540 /nfs/dbraw/zinc/24/05/40/208240540.db2.gz GNXBUBXXEXLECH-RYUDHWBXSA-N 2 1 284.404 -0.327 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000434876556 208272998 /nfs/dbraw/zinc/27/29/98/208272998.db2.gz YSHDDNPTTGHEMC-NWDGAFQWSA-N 2 1 287.429 -0.082 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000434318687 208257769 /nfs/dbraw/zinc/25/77/69/208257769.db2.gz QHXYSPDHKVZKFJ-OAHLLOKOSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000434679778 208265000 /nfs/dbraw/zinc/26/50/00/208265000.db2.gz FSRPBIHDVVWJLK-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)(C)n1cncn1 ZINC000438822874 208312558 /nfs/dbraw/zinc/31/25/58/208312558.db2.gz ATUYVFVGVAWCSR-MNOVXSKESA-N 2 1 255.366 -0.086 20 0 CBADMP CC[N@@H+](C)CCNC(=O)NCC[NH+]1CCCOCC1 ZINC000436508216 208294734 /nfs/dbraw/zinc/29/47/34/208294734.db2.gz CQLLSVOTAFOUIS-UHFFFAOYSA-N 2 1 272.393 -0.040 20 0 CBADMP CC[NH+](C)CCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000436508216 208294741 /nfs/dbraw/zinc/29/47/41/208294741.db2.gz CQLLSVOTAFOUIS-UHFFFAOYSA-N 2 1 272.393 -0.040 20 0 CBADMP CC[NH+](C)CCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000436508216 208294747 /nfs/dbraw/zinc/29/47/47/208294747.db2.gz CQLLSVOTAFOUIS-UHFFFAOYSA-N 2 1 272.393 -0.040 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CC[NH3+])CC1 ZINC000574807821 335048681 /nfs/dbraw/zinc/04/86/81/335048681.db2.gz BORLHWGNYQPMCP-CYBMUJFWSA-N 2 1 268.405 -0.036 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442771023 208365577 /nfs/dbraw/zinc/36/55/77/208365577.db2.gz SKSJCFNUOVXUTB-DCAQKATOSA-N 2 1 286.376 -0.484 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442771023 208365580 /nfs/dbraw/zinc/36/55/80/208365580.db2.gz SKSJCFNUOVXUTB-DCAQKATOSA-N 2 1 286.376 -0.484 20 0 CBADMP Cn1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)nn1 ZINC000441385635 208350414 /nfs/dbraw/zinc/35/04/14/208350414.db2.gz SFCLVKABJTYNDG-UHFFFAOYSA-N 2 1 266.393 -0.069 20 0 CBADMP Cn1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)nn1 ZINC000441385635 208350416 /nfs/dbraw/zinc/35/04/16/208350416.db2.gz SFCLVKABJTYNDG-UHFFFAOYSA-N 2 1 266.393 -0.069 20 0 CBADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000443059070 208378506 /nfs/dbraw/zinc/37/85/06/208378506.db2.gz LXSVJLGKTUTRCR-ZDUSSCGKSA-N 2 1 296.415 -0.214 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@H](C)C[NH3+])CC1=O ZINC000470478329 285284319 /nfs/dbraw/zinc/28/43/19/285284319.db2.gz UVXSUNUSQHYTGD-AGIUHOORSA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000575046900 335058785 /nfs/dbraw/zinc/05/87/85/335058785.db2.gz UZPAWJRIZNJECS-MNOVXSKESA-N 2 1 298.387 -0.482 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000575046900 335058786 /nfs/dbraw/zinc/05/87/86/335058786.db2.gz UZPAWJRIZNJECS-MNOVXSKESA-N 2 1 298.387 -0.482 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000261934116 285361364 /nfs/dbraw/zinc/36/13/64/285361364.db2.gz IULBCJZSRVJPCY-WCQYABFASA-N 2 1 255.362 -0.096 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000261934116 285361366 /nfs/dbraw/zinc/36/13/66/285361366.db2.gz IULBCJZSRVJPCY-WCQYABFASA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000355296535 533569174 /nfs/dbraw/zinc/56/91/74/533569174.db2.gz HQLXETUQEXAQQH-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343288694 289127099 /nfs/dbraw/zinc/12/70/99/289127099.db2.gz RFWVUHYNOAJRKI-UHFFFAOYSA-N 2 1 270.377 -0.783 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)C[C@H](C[NH3+])OC)CC1 ZINC000262884705 286084780 /nfs/dbraw/zinc/08/47/80/286084780.db2.gz NUJICCJAVJDZPH-GFCCVEGCSA-N 2 1 273.377 -0.469 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351472533 289238825 /nfs/dbraw/zinc/23/88/25/289238825.db2.gz AZYYYOCPVWFPGH-SRVKXCTJSA-N 2 1 275.418 -0.063 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417745825 292335771 /nfs/dbraw/zinc/33/57/71/292335771.db2.gz FSRRGTQTMIYHOR-OLZOCXBDSA-N 2 1 284.404 -0.042 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000178811494 292338193 /nfs/dbraw/zinc/33/81/93/292338193.db2.gz NYHVZCQROLFBCV-LBPRGKRZSA-N 2 1 261.341 -0.228 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)C[NH+]1CCOCC1 ZINC000082257962 286871951 /nfs/dbraw/zinc/87/19/51/286871951.db2.gz LEDHVEULYRGONU-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000178199333 287086341 /nfs/dbraw/zinc/08/63/41/287086341.db2.gz KZRSLRSXDMKSQD-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])OC)CC[N@@H+]1CCOC ZINC000353425361 287164867 /nfs/dbraw/zinc/16/48/67/287164867.db2.gz HILFNBOSESDWAL-NEPJUHHUSA-N 2 1 273.377 -0.471 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])OC)CC[N@H+]1CCOC ZINC000353425361 287164869 /nfs/dbraw/zinc/16/48/69/287164869.db2.gz HILFNBOSESDWAL-NEPJUHHUSA-N 2 1 273.377 -0.471 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000285203368 196220964 /nfs/dbraw/zinc/22/09/64/196220964.db2.gz VZYFQIYKZZIBIB-UHFFFAOYSA-N 2 1 293.371 -0.482 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000285203368 196220965 /nfs/dbraw/zinc/22/09/65/196220965.db2.gz VZYFQIYKZZIBIB-UHFFFAOYSA-N 2 1 293.371 -0.482 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662747279 413992196 /nfs/dbraw/zinc/99/21/96/413992196.db2.gz SCMQAHNSHKABOK-UHFFFAOYSA-N 2 1 282.388 -0.510 20 0 CBADMP C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900537 414060922 /nfs/dbraw/zinc/06/09/22/414060922.db2.gz NCRGZCODKNMEOJ-YPMHNXCESA-N 2 1 268.405 -0.040 20 0 CBADMP C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900537 414060934 /nfs/dbraw/zinc/06/09/34/414060934.db2.gz NCRGZCODKNMEOJ-YPMHNXCESA-N 2 1 268.405 -0.040 20 0 CBADMP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900534 414061900 /nfs/dbraw/zinc/06/19/00/414061900.db2.gz NCRGZCODKNMEOJ-AAEUAGOBSA-N 2 1 268.405 -0.040 20 0 CBADMP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900534 414061907 /nfs/dbraw/zinc/06/19/07/414061907.db2.gz NCRGZCODKNMEOJ-AAEUAGOBSA-N 2 1 268.405 -0.040 20 0 CBADMP C[NH2+][C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cnn(C)c1 ZINC000285698468 196370822 /nfs/dbraw/zinc/37/08/22/196370822.db2.gz BRJBYLPJRNRKRV-QWHCGFSZSA-N 2 1 277.372 -0.013 20 0 CBADMP C[NH2+][C@@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)c1cnn(C)c1 ZINC000285698468 196370824 /nfs/dbraw/zinc/37/08/24/196370824.db2.gz BRJBYLPJRNRKRV-QWHCGFSZSA-N 2 1 277.372 -0.013 20 0 CBADMP CN(C(=O)CC[NH3+])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901344 414059005 /nfs/dbraw/zinc/05/90/05/414059005.db2.gz VOUNVZDXUSPTTH-ZDUSSCGKSA-N 2 1 268.405 -0.038 20 0 CBADMP CN(C(=O)CC[NH3+])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901344 414059011 /nfs/dbraw/zinc/05/90/11/414059011.db2.gz VOUNVZDXUSPTTH-ZDUSSCGKSA-N 2 1 268.405 -0.038 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000043709230 175102541 /nfs/dbraw/zinc/10/25/41/175102541.db2.gz DNSGQYWHXRDMLB-JQWIXIFHSA-N 2 1 253.346 -0.425 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000044529946 175194937 /nfs/dbraw/zinc/19/49/37/175194937.db2.gz ZEQHWATZFTZLGZ-CYBMUJFWSA-N 2 1 282.388 -0.652 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000044529946 175194939 /nfs/dbraw/zinc/19/49/39/175194939.db2.gz ZEQHWATZFTZLGZ-CYBMUJFWSA-N 2 1 282.388 -0.652 20 0 CBADMP CC[N@@H+](C)CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000071221255 176087306 /nfs/dbraw/zinc/08/73/06/176087306.db2.gz IBWNIAJSUWHODG-UHFFFAOYSA-N 2 1 280.376 -0.116 20 0 CBADMP C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000354694755 227074325 /nfs/dbraw/zinc/07/43/25/227074325.db2.gz QTPKLFYMSIERBI-YPMHNXCESA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000073433808 544423082 /nfs/dbraw/zinc/42/30/82/544423082.db2.gz XIGALJDIIJVCNQ-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000073433808 544423084 /nfs/dbraw/zinc/42/30/84/544423084.db2.gz XIGALJDIIJVCNQ-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000073433808 544423089 /nfs/dbraw/zinc/42/30/89/544423089.db2.gz XIGALJDIIJVCNQ-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000073433808 544423091 /nfs/dbraw/zinc/42/30/91/544423091.db2.gz XIGALJDIIJVCNQ-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000073433805 544423148 /nfs/dbraw/zinc/42/31/48/544423148.db2.gz XIGALJDIIJVCNQ-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000073433805 544423153 /nfs/dbraw/zinc/42/31/53/544423153.db2.gz XIGALJDIIJVCNQ-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000073433805 544423154 /nfs/dbraw/zinc/42/31/54/544423154.db2.gz XIGALJDIIJVCNQ-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000073433805 544423155 /nfs/dbraw/zinc/42/31/55/544423155.db2.gz XIGALJDIIJVCNQ-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000367159391 228151249 /nfs/dbraw/zinc/15/12/49/228151249.db2.gz NMSUFAOIPLWJSW-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367159391 228151250 /nfs/dbraw/zinc/15/12/50/228151250.db2.gz NMSUFAOIPLWJSW-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000367159391 228151251 /nfs/dbraw/zinc/15/12/51/228151251.db2.gz NMSUFAOIPLWJSW-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP C[N@@H+](CCNC(=O)c1cn(CC[NH3+])nn1)C1CC1 ZINC000089709109 544437668 /nfs/dbraw/zinc/43/76/68/544437668.db2.gz LTWFMAFNMNWEON-UHFFFAOYSA-N 2 1 252.322 -0.939 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000089701034 544437708 /nfs/dbraw/zinc/43/77/08/544437708.db2.gz SFGLZMOVHHPJIX-UHFFFAOYSA-N 2 1 254.338 -0.693 20 0 CBADMP C[N@@H+](CCNC(=O)c1cn(CC[NH3+])nn1)C1CCCC1 ZINC000089709187 544438277 /nfs/dbraw/zinc/43/82/77/544438277.db2.gz PXIHCKUBVXMDHD-UHFFFAOYSA-N 2 1 280.376 -0.159 20 0 CBADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093695939 544444077 /nfs/dbraw/zinc/44/40/77/544444077.db2.gz XCZRBJPUVQYBDQ-NSHDSACASA-N 2 1 263.407 -0.061 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)COC2(C)C[NH2+]C2)CC[N@H+]1C ZINC000098061764 544446768 /nfs/dbraw/zinc/44/67/68/544446768.db2.gz CIMVPKGJBVRQDZ-GHMZBOCLSA-N 2 1 255.362 -0.036 20 0 CBADMP CC1(OCC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[NH2+]C1 ZINC000098061720 544446949 /nfs/dbraw/zinc/44/69/49/544446949.db2.gz IUOBBOLKZMLANT-SNVBAGLBSA-N 2 1 253.346 -0.282 20 0 CBADMP CC1(OCC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[NH2+]C1 ZINC000098061665 544447063 /nfs/dbraw/zinc/44/70/63/544447063.db2.gz CZFFAIIPLVWYIX-LLVKDONJSA-N 2 1 267.373 -0.035 20 0 CBADMP OC[C@H]1CCC[NH+]1CC1(C[N@@H+]2CCC[C@@H]2CO)COC1 ZINC000119393765 544449776 /nfs/dbraw/zinc/44/97/76/544449776.db2.gz FFJVNPDOYHSXSC-ZIAGYGMSSA-N 2 1 284.400 -0.084 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000226078909 544493105 /nfs/dbraw/zinc/49/31/05/544493105.db2.gz QKWAJJAMWRJGNO-VIFPVBQESA-N 2 1 252.322 -0.939 20 0 CBADMP CNC(=O)CC[NH+](C)[C@@H](C)CC[N@H+](C)CCC(=O)NC ZINC000178301831 544481603 /nfs/dbraw/zinc/48/16/03/544481603.db2.gz DBMGAYOLYAQFOL-LBPRGKRZSA-N 2 1 286.420 -0.099 20 0 CBADMP CNC(=O)CC[NH+](C)CC[C@H](C)[N@H+](C)CCC(=O)NC ZINC000178301831 544481609 /nfs/dbraw/zinc/48/16/09/544481609.db2.gz DBMGAYOLYAQFOL-LBPRGKRZSA-N 2 1 286.420 -0.099 20 0 CBADMP CNC(=O)CC[NH+](C)CC[C@H](C)[N@@H+](C)CCC(=O)NC ZINC000178301831 544481612 /nfs/dbraw/zinc/48/16/12/544481612.db2.gz DBMGAYOLYAQFOL-LBPRGKRZSA-N 2 1 286.420 -0.099 20 0 CBADMP C[C@@]1(C(N)=O)CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000235433302 544505751 /nfs/dbraw/zinc/50/57/51/544505751.db2.gz ASSBZRLEVKEBHP-CYBMUJFWSA-N 2 1 268.361 -0.994 20 0 CBADMP CC(=O)N[C@H]1CCN(C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000310909187 544529611 /nfs/dbraw/zinc/52/96/11/544529611.db2.gz QLMUWIFSBLZGBP-QWHCGFSZSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(=O)N[C@H]1CCN(C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000310909188 544529992 /nfs/dbraw/zinc/52/99/92/544529992.db2.gz QLMUWIFSBLZGBP-STQMWFEESA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(CO)CCOCC1 ZINC000310882870 544530056 /nfs/dbraw/zinc/53/00/56/544530056.db2.gz OAAGBTOQLTXSQW-GFCCVEGCSA-N 2 1 260.378 -0.181 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C1(CO)CCOCC1 ZINC000310882870 544530060 /nfs/dbraw/zinc/53/00/60/544530060.db2.gz OAAGBTOQLTXSQW-GFCCVEGCSA-N 2 1 260.378 -0.181 20 0 CBADMP O=C(CN1CC[NH2+]CC1)N1CC[NH+](C2CC2)CC1 ZINC000037827050 419413492 /nfs/dbraw/zinc/41/34/92/419413492.db2.gz RWMNPBNYQQGGQO-UHFFFAOYSA-N 2 1 252.362 -0.802 20 0 CBADMP CC[C@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@@H]1[NH3+] ZINC000122771548 419488880 /nfs/dbraw/zinc/48/88/80/419488880.db2.gz VUXCSFCATQLORC-JQWIXIFHSA-N 2 1 280.372 -0.357 20 0 CBADMP CC[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@@H]1[NH3+] ZINC000122771548 419488885 /nfs/dbraw/zinc/48/88/85/419488885.db2.gz VUXCSFCATQLORC-JQWIXIFHSA-N 2 1 280.372 -0.357 20 0 CBADMP CC[C@@H]1C[N@H+](CC(=O)N2CCN(C(C)=O)CC2)CC[C@@H]1[NH3+] ZINC000122894852 419491612 /nfs/dbraw/zinc/49/16/12/419491612.db2.gz HZDCWDPDWCJKJW-KGLIPLIRSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)CC[C@@H]1[NH3+] ZINC000122894852 419491619 /nfs/dbraw/zinc/49/16/19/419491619.db2.gz HZDCWDPDWCJKJW-KGLIPLIRSA-N 2 1 296.415 -0.264 20 0 CBADMP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[NH+](CC2CC2)CC1 ZINC000048996819 419450893 /nfs/dbraw/zinc/45/08/93/419450893.db2.gz ALNXWJAKOFDVCX-UHFFFAOYSA-N 2 1 294.399 -0.638 20 0 CBADMP CC[C@@H](C)NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150649 419469328 /nfs/dbraw/zinc/46/93/28/419469328.db2.gz VJLCACXFAWBKTA-GFCCVEGCSA-N 2 1 256.394 -0.262 20 0 CBADMP CC[C@@H](C)NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150649 419469335 /nfs/dbraw/zinc/46/93/35/419469335.db2.gz VJLCACXFAWBKTA-GFCCVEGCSA-N 2 1 256.394 -0.262 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NC[C@H]1CCCO1 ZINC000071150406 419470312 /nfs/dbraw/zinc/47/03/12/419470312.db2.gz YYAZZUUUCDSULM-CYBMUJFWSA-N 2 1 284.404 -0.881 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NC[C@H]1CCCO1 ZINC000071150406 419470317 /nfs/dbraw/zinc/47/03/17/419470317.db2.gz YYAZZUUUCDSULM-CYBMUJFWSA-N 2 1 284.404 -0.881 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000661720097 419522400 /nfs/dbraw/zinc/52/24/00/419522400.db2.gz CIXPXCRBAWDKKR-GXTWGEPZSA-N 2 1 267.373 -0.393 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000661720097 419522410 /nfs/dbraw/zinc/52/24/10/419522410.db2.gz CIXPXCRBAWDKKR-GXTWGEPZSA-N 2 1 267.373 -0.393 20 0 CBADMP CCOCCOCC[N@H+](C)CC(=O)N1CCN(C)CC1 ZINC000190255990 419534639 /nfs/dbraw/zinc/53/46/39/419534639.db2.gz UFOSBKPMQXJDPF-UHFFFAOYSA-N 2 1 287.404 -0.255 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000386285542 544575397 /nfs/dbraw/zinc/57/53/97/544575397.db2.gz BQCXKDGSJQAPMZ-IJLUTSLNSA-N 2 1 260.378 -0.326 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000386285542 544575403 /nfs/dbraw/zinc/57/54/03/544575403.db2.gz BQCXKDGSJQAPMZ-IJLUTSLNSA-N 2 1 260.378 -0.326 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000389613264 544577078 /nfs/dbraw/zinc/57/70/78/544577078.db2.gz YNRUBYQIPSTECZ-AAEUAGOBSA-N 2 1 284.404 -0.314 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)COC2(C)C[NH2+]C2)C1 ZINC000389727772 544577157 /nfs/dbraw/zinc/57/71/57/544577157.db2.gz LKOSNEZIHUGZCT-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP O=C([C@@H]1CCC[N@@H+](C[C@@H]2CNCCO2)C1)N1CC[NH2+]CC1 ZINC000662243511 419556909 /nfs/dbraw/zinc/55/69/09/419556909.db2.gz MKUZDCKRDNITRL-KGLIPLIRSA-N 2 1 296.415 -0.881 20 0 CBADMP COC[C@@H](C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)OC ZINC000662243680 419557491 /nfs/dbraw/zinc/55/74/91/419557491.db2.gz OJDJNDDMZFCDFT-NWDGAFQWSA-N 2 1 273.377 -0.565 20 0 CBADMP COC[C@H](C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)OC ZINC000662243681 419560057 /nfs/dbraw/zinc/56/00/57/419560057.db2.gz OJDJNDDMZFCDFT-RYUDHWBXSA-N 2 1 273.377 -0.565 20 0 CBADMP [NH3+]CCCOC1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662247675 419562856 /nfs/dbraw/zinc/56/28/56/419562856.db2.gz JAMURTLVLKQPIB-CYBMUJFWSA-N 2 1 257.378 -0.195 20 0 CBADMP CCN1CC[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000662247734 419563138 /nfs/dbraw/zinc/56/31/38/419563138.db2.gz ZNPMNZWUQCKQBU-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP COC[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662255985 419563192 /nfs/dbraw/zinc/56/31/92/419563192.db2.gz TVBCCRODVMVZGK-RYUDHWBXSA-N 2 1 256.346 -0.145 20 0 CBADMP COC[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662255985 419563197 /nfs/dbraw/zinc/56/31/97/419563197.db2.gz TVBCCRODVMVZGK-RYUDHWBXSA-N 2 1 256.346 -0.145 20 0 CBADMP C[C@H](CNC(=O)CN1CC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000219963185 419565014 /nfs/dbraw/zinc/56/50/14/419565014.db2.gz FAQDHVRYAPXYRM-LLVKDONJSA-N 2 1 254.378 -0.510 20 0 CBADMP CC[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)CC[N@H+]1C[C@@H](C)O ZINC000662262178 419566452 /nfs/dbraw/zinc/56/64/52/419566452.db2.gz SDDQMDWTOCGLDW-MCIONIFRSA-N 2 1 271.405 -0.248 20 0 CBADMP CSCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000167993232 419503771 /nfs/dbraw/zinc/50/37/71/419503771.db2.gz BUORJDQFNZBKMB-QJPTWQEYSA-N 2 1 289.445 -0.020 20 0 CBADMP CSCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000167993232 419503779 /nfs/dbraw/zinc/50/37/79/419503779.db2.gz BUORJDQFNZBKMB-QJPTWQEYSA-N 2 1 289.445 -0.020 20 0 CBADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394373606 544579563 /nfs/dbraw/zinc/57/95/63/544579563.db2.gz NCNOTEVDJZJDAN-OLZOCXBDSA-N 2 1 268.405 -0.134 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccn([C@H]3CC[NH2+]C3)n2)C1 ZINC000328633606 419632575 /nfs/dbraw/zinc/63/25/75/419632575.db2.gz SQCNPLRUXAVNLD-RYUDHWBXSA-N 2 1 293.371 0.077 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)Nc2ccn([C@H]3CC[NH2+]C3)n2)C1 ZINC000328633606 419632578 /nfs/dbraw/zinc/63/25/78/419632578.db2.gz SQCNPLRUXAVNLD-RYUDHWBXSA-N 2 1 293.371 0.077 20 0 CBADMP CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258762 419570429 /nfs/dbraw/zinc/57/04/29/419570429.db2.gz XKSJSVGWRABLCN-VXGBXAGGSA-N 2 1 267.373 -0.036 20 0 CBADMP CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258762 419570436 /nfs/dbraw/zinc/57/04/36/419570436.db2.gz XKSJSVGWRABLCN-VXGBXAGGSA-N 2 1 267.373 -0.036 20 0 CBADMP CN1CCC[C@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662277528 419572275 /nfs/dbraw/zinc/57/22/75/419572275.db2.gz VODMYMPWKOBIHS-STQMWFEESA-N 2 1 266.389 -0.413 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNc1nc(N)[nH+]c2c1CCCC2 ZINC000645167083 419573464 /nfs/dbraw/zinc/57/34/64/419573464.db2.gz JKYKOJOFQISHIV-LLVKDONJSA-N 2 1 290.415 0.017 20 0 CBADMP Cn1cc(C[N@H+]2CCCN(C[C@@H]3C[NH2+]CCO3)CC2)cn1 ZINC000662277828 419573585 /nfs/dbraw/zinc/57/35/85/419573585.db2.gz UNCOLOIQRJXODP-HNNXBMFYSA-N 2 1 293.415 -0.084 20 0 CBADMP C[C@]1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CCC[NH2+]C1 ZINC000394381769 544580609 /nfs/dbraw/zinc/58/06/09/544580609.db2.gz SWLUYRFYIOUCHI-ZFWWWQNUSA-N 2 1 280.416 -0.118 20 0 CBADMP c1cnc(N[C@H]2CC[N@H+](C[C@@H]3CNCCO3)C2)nc1 ZINC000662282293 419574756 /nfs/dbraw/zinc/57/47/56/419574756.db2.gz FNSDJQIIQZBILV-RYUDHWBXSA-N 2 1 263.345 -0.049 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237028056 419576837 /nfs/dbraw/zinc/57/68/37/419576837.db2.gz GPMNSBZPRSMNHM-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237084959 419577232 /nfs/dbraw/zinc/57/72/32/419577232.db2.gz VXDJXGBUGGQLBO-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP NC(=O)c1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662286316 419577826 /nfs/dbraw/zinc/57/78/26/419577826.db2.gz ZHNQGPQFEPXKDN-UHFFFAOYSA-N 2 1 263.341 -0.010 20 0 CBADMP O=C(CC[NH2+]C1CC1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394381061 544581178 /nfs/dbraw/zinc/58/11/78/544581178.db2.gz CGANALFYTLGEQB-CYBMUJFWSA-N 2 1 266.389 -0.365 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662296612 419579920 /nfs/dbraw/zinc/57/99/20/419579920.db2.gz TZDMDVMBHVIXHM-VXGBXAGGSA-N 2 1 253.350 -0.430 20 0 CBADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1COCCO1 ZINC000662307485 419583646 /nfs/dbraw/zinc/58/36/46/419583646.db2.gz WHEJRIXLYJEADP-NWDGAFQWSA-N 2 1 256.346 -0.145 20 0 CBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237553550 419583800 /nfs/dbraw/zinc/58/38/00/419583800.db2.gz HGVWJWLSBXYKIA-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[C@H]1C(=O)N(CC)CC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000662305256 419585234 /nfs/dbraw/zinc/58/52/34/419585234.db2.gz GEGKJQJUVPCWGQ-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000662305256 419585236 /nfs/dbraw/zinc/58/52/36/419585236.db2.gz GEGKJQJUVPCWGQ-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP O=C(NCCC[NH2+]Cc1cccnc1)[C@H]1COCC[NH2+]1 ZINC000238046479 419585678 /nfs/dbraw/zinc/58/56/78/419585678.db2.gz ITPWRASFIPKKBZ-CYBMUJFWSA-N 2 1 278.356 -0.334 20 0 CBADMP NC(=O)C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336359 419588851 /nfs/dbraw/zinc/58/88/51/419588851.db2.gz CSIBIKDYGULECE-NSHDSACASA-N 2 1 292.387 -0.516 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336359 419588861 /nfs/dbraw/zinc/58/88/61/419588861.db2.gz CSIBIKDYGULECE-NSHDSACASA-N 2 1 292.387 -0.516 20 0 CBADMP CC[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@@H]1[NH3+] ZINC000647498694 419593793 /nfs/dbraw/zinc/59/37/93/419593793.db2.gz NHNURCYSRAADGS-PWSUYJOCSA-N 2 1 280.372 -0.357 20 0 CBADMP NC(=O)Cn1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)nn1 ZINC000647483022 419594193 /nfs/dbraw/zinc/59/41/93/419594193.db2.gz RUJVCMVLMQWUQB-CYBMUJFWSA-N 2 1 292.387 -0.273 20 0 CBADMP C[C@]1(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)CC[NH2+]C1 ZINC000261921206 419599280 /nfs/dbraw/zinc/59/92/80/419599280.db2.gz BPZVMAZFTORMCX-QWHCGFSZSA-N 2 1 266.345 -0.340 20 0 CBADMP C[C@]1(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)CC[NH2+]C1 ZINC000261921206 419599290 /nfs/dbraw/zinc/59/92/90/419599290.db2.gz BPZVMAZFTORMCX-QWHCGFSZSA-N 2 1 266.345 -0.340 20 0 CBADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262107327 419599730 /nfs/dbraw/zinc/59/97/30/419599730.db2.gz JWUPILCIDSPTCO-AWEZNQCLSA-N 3 1 252.406 -0.035 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000401791256 544586004 /nfs/dbraw/zinc/58/60/04/544586004.db2.gz HDLFYFMHVKCOCM-KGLIPLIRSA-N 2 1 290.404 -0.601 20 0 CBADMP [NH3+][C@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)C1CCC1 ZINC000399074258 544583923 /nfs/dbraw/zinc/58/39/23/544583923.db2.gz OUSZZTOXHXDZNO-STQMWFEESA-N 2 1 266.389 -0.380 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@](CO)(OC)C1 ZINC000401791256 544586007 /nfs/dbraw/zinc/58/60/07/544586007.db2.gz HDLFYFMHVKCOCM-KGLIPLIRSA-N 2 1 290.404 -0.601 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@](CO)(OC)C1 ZINC000401791256 544586008 /nfs/dbraw/zinc/58/60/08/544586008.db2.gz HDLFYFMHVKCOCM-KGLIPLIRSA-N 2 1 290.404 -0.601 20 0 CBADMP [NH3+][C@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)C1CCC1 ZINC000399074256 544584349 /nfs/dbraw/zinc/58/43/49/544584349.db2.gz OUSZZTOXHXDZNO-OLZOCXBDSA-N 2 1 266.389 -0.380 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000647542307 419608306 /nfs/dbraw/zinc/60/83/06/419608306.db2.gz OGUBTHNPDAYHLJ-MCIONIFRSA-N 3 1 280.416 -0.133 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662554761 419640384 /nfs/dbraw/zinc/64/03/84/419640384.db2.gz RFYKEOYFGXMPNP-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000662463423 419613184 /nfs/dbraw/zinc/61/31/84/419613184.db2.gz WPNCSSYFMUESMC-AWEZNQCLSA-N 2 1 298.431 -0.493 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662473390 419615949 /nfs/dbraw/zinc/61/59/49/419615949.db2.gz INMILKWJXVVAJB-ZDUSSCGKSA-N 2 1 287.404 -0.081 20 0 CBADMP Cn1cc(CC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cn1 ZINC000311339330 419620139 /nfs/dbraw/zinc/62/01/39/419620139.db2.gz HMYKHNGQVIPIGM-AWEZNQCLSA-N 2 1 263.389 -0.058 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000647594968 419620583 /nfs/dbraw/zinc/62/05/83/419620583.db2.gz CEGVUJWUNCKBDS-WUHRBBMRSA-N 2 1 296.415 -0.029 20 0 CBADMP O=C([C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1)N1CC[NH2+]CC1 ZINC000647825635 419662319 /nfs/dbraw/zinc/66/23/19/419662319.db2.gz ZUMVUPSRDIZCNU-NEPJUHHUSA-N 2 1 280.372 -0.981 20 0 CBADMP O=C([C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1)N1CC[NH2+]CC1 ZINC000647825636 419662779 /nfs/dbraw/zinc/66/27/79/419662779.db2.gz ZUMVUPSRDIZCNU-NWDGAFQWSA-N 2 1 280.372 -0.981 20 0 CBADMP CC(C)N1CC[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000647835971 419665291 /nfs/dbraw/zinc/66/52/91/419665291.db2.gz WWHBAMZZOYOVGB-ZDUSSCGKSA-N 2 1 268.405 -0.167 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCC1CCC1 ZINC000647835908 419666029 /nfs/dbraw/zinc/66/60/29/419666029.db2.gz ULRKUMKJWCRVHB-UHFFFAOYSA-N 2 1 268.405 -0.260 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCC1CCC1 ZINC000647835908 419666035 /nfs/dbraw/zinc/66/60/35/419666035.db2.gz ULRKUMKJWCRVHB-UHFFFAOYSA-N 2 1 268.405 -0.260 20 0 CBADMP CCN(C)C(=O)CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647836234 419668627 /nfs/dbraw/zinc/66/86/27/419668627.db2.gz SAZFDYXZWYBYHB-UHFFFAOYSA-N 2 1 256.394 -0.308 20 0 CBADMP O=C(C[C@@H]1CC[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655212 419670866 /nfs/dbraw/zinc/67/08/66/419670866.db2.gz HGVWWGORLUXOKO-STQMWFEESA-N 2 1 267.373 -0.081 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662668263 419676467 /nfs/dbraw/zinc/67/64/67/419676467.db2.gz JWBIHQFKVJKPGU-MGPQQGTHSA-N 2 1 299.415 -0.177 20 0 CBADMP CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647877060 419678817 /nfs/dbraw/zinc/67/88/17/419678817.db2.gz HBJSIGPCCDMIHY-NWDGAFQWSA-N 2 1 275.418 -0.143 20 0 CBADMP CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647877060 419678825 /nfs/dbraw/zinc/67/88/25/419678825.db2.gz HBJSIGPCCDMIHY-NWDGAFQWSA-N 2 1 275.418 -0.143 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662680150 419682114 /nfs/dbraw/zinc/68/21/14/419682114.db2.gz WVUBUODVQMYPJJ-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662699509 419689356 /nfs/dbraw/zinc/68/93/56/419689356.db2.gz BOPSGZGWUWUPPN-GRYCIOLGSA-N 2 1 255.362 -0.192 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1(O)C[NH2+]C1 ZINC000662695946 419690198 /nfs/dbraw/zinc/69/01/98/419690198.db2.gz RAJQPQKWWCKURH-MNOVXSKESA-N 2 1 255.362 -0.443 20 0 CBADMP CC[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647934361 419691065 /nfs/dbraw/zinc/69/10/65/419691065.db2.gz BVUPBMJUMPHNEJ-QWHCGFSZSA-N 3 1 268.405 -0.133 20 0 CBADMP CC[C@H]1C[N@H+](CCC(=O)N2CCNCC2)CC[C@H]1[NH3+] ZINC000647934361 419691073 /nfs/dbraw/zinc/69/10/73/419691073.db2.gz BVUPBMJUMPHNEJ-QWHCGFSZSA-N 2 1 268.405 -0.133 20 0 CBADMP CC[C@H]1C[N@@H+](CCC(=O)N2CCNCC2)CC[C@H]1[NH3+] ZINC000647934361 419691078 /nfs/dbraw/zinc/69/10/78/419691078.db2.gz BVUPBMJUMPHNEJ-QWHCGFSZSA-N 2 1 268.405 -0.133 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(C)([NH3+])CC2)CC1 ZINC000647924081 419691578 /nfs/dbraw/zinc/69/15/78/419691578.db2.gz DCJKDOWYIDCHRA-UHFFFAOYSA-N 3 1 268.405 -0.036 20 0 CBADMP CC[C@H]1C[N@@H+](CCCS(=O)(=O)NC)CC[C@@H]1[NH3+] ZINC000647936310 419691847 /nfs/dbraw/zinc/69/18/47/419691847.db2.gz BEWRMBSUOLEIOA-QWRGUYRKSA-N 2 1 263.407 -0.015 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662713314 419696673 /nfs/dbraw/zinc/69/66/73/419696673.db2.gz YWKWCKUUKIZZFT-AGIUHOORSA-N 2 1 285.388 -0.423 20 0 CBADMP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccon1 ZINC000647980196 419703988 /nfs/dbraw/zinc/70/39/88/419703988.db2.gz INFHLGSGCBJAIX-PHIMTYICSA-N 2 1 264.329 0.545 20 0 CBADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccon1 ZINC000647980196 419703998 /nfs/dbraw/zinc/70/39/98/419703998.db2.gz INFHLGSGCBJAIX-PHIMTYICSA-N 2 1 264.329 0.545 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662729108 419708094 /nfs/dbraw/zinc/70/80/94/419708094.db2.gz JUQNAHFMEDEMJI-NSHDSACASA-N 2 1 255.362 -0.585 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662754120 419712259 /nfs/dbraw/zinc/71/22/59/419712259.db2.gz DMZOPIWXBFLRBJ-LPTSXCQYSA-N 2 1 267.373 -0.051 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000662622847 419654570 /nfs/dbraw/zinc/65/45/70/419654570.db2.gz UUVLCVVVONORKF-QWRGUYRKSA-N 2 1 255.362 -0.036 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662800937 419731958 /nfs/dbraw/zinc/73/19/58/419731958.db2.gz HEXJHKJBXYDZFB-RYUDHWBXSA-N 2 1 255.362 -0.097 20 0 CBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])[C@@H]2C1 ZINC000662812981 419732950 /nfs/dbraw/zinc/73/29/50/419732950.db2.gz XKWZGKJCZZVQKA-FVCCEPFGSA-N 2 1 283.372 -0.718 20 0 CBADMP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000648110707 419735176 /nfs/dbraw/zinc/73/51/76/419735176.db2.gz GVHPAOYVRVZQRN-LPWJVIDDSA-N 2 1 292.383 -0.840 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000662943913 419786501 /nfs/dbraw/zinc/78/65/01/419786501.db2.gz DSGVXVMYNKZUFR-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CC[C@](N)(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000648124344 419743049 /nfs/dbraw/zinc/74/30/49/419743049.db2.gz XWPRABGMAWEYST-GMXVVIOVSA-N 2 1 252.362 -0.770 20 0 CBADMP CN1CC[C@]([NH3+])(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000648124344 419743053 /nfs/dbraw/zinc/74/30/53/419743053.db2.gz XWPRABGMAWEYST-GMXVVIOVSA-N 2 1 252.362 -0.770 20 0 CBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1(O)C[NH2+]C1 ZINC000662835052 419743713 /nfs/dbraw/zinc/74/37/13/419743713.db2.gz KIEHYOFOYSQJOI-GHMZBOCLSA-N 2 1 253.346 -0.546 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000648131546 419744961 /nfs/dbraw/zinc/74/49/61/419744961.db2.gz ADIAEUHZKQLIEN-MNOVXSKESA-N 2 1 263.345 -0.355 20 0 CBADMP [NH3+]CC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662859232 419751461 /nfs/dbraw/zinc/75/14/61/419751461.db2.gz LUDVVZVPXFAVSG-ZDUSSCGKSA-N 2 1 263.341 -0.172 20 0 CBADMP C[C@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)N1CC[NH+](C)CC1 ZINC000648146955 419756375 /nfs/dbraw/zinc/75/63/75/419756375.db2.gz HNTVBFSVDOZYAV-MNOVXSKESA-N 2 1 290.358 -0.264 20 0 CBADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C[NH3+])C1 ZINC000662939409 419787037 /nfs/dbraw/zinc/78/70/37/419787037.db2.gz FWKCLJDKDNJZCY-AWEZNQCLSA-N 2 1 276.384 -0.123 20 0 CBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C[NH3+])C1 ZINC000662939409 419787043 /nfs/dbraw/zinc/78/70/43/419787043.db2.gz FWKCLJDKDNJZCY-AWEZNQCLSA-N 2 1 276.384 -0.123 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@H+]1C ZINC000648148383 419760542 /nfs/dbraw/zinc/76/05/42/419760542.db2.gz BIWOMVFLTCYPLD-IJLUTSLNSA-N 2 1 255.362 -0.179 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648153369 419761043 /nfs/dbraw/zinc/76/10/43/419761043.db2.gz AFPWRTQEMQWTEZ-MCIONIFRSA-N 2 1 280.416 -0.167 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)COCC[NH3+])C1 ZINC000648157932 419761651 /nfs/dbraw/zinc/76/16/51/419761651.db2.gz VWFZFMIENRFEGQ-NWDGAFQWSA-N 2 1 255.362 -0.096 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000648169055 419762933 /nfs/dbraw/zinc/76/29/33/419762933.db2.gz QJSOAGJJHMUEAY-DYEKYZERSA-N 2 1 296.415 -0.362 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)COC1(C)C[NH2+]C1 ZINC000648165844 419763636 /nfs/dbraw/zinc/76/36/36/419763636.db2.gz KZONKGVSSQUGKP-UHFFFAOYSA-N 2 1 255.362 -0.083 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1CCC[NH2+]CC1 ZINC000662908665 419766192 /nfs/dbraw/zinc/76/61/92/419766192.db2.gz VRONVOBKXYQVID-ZIAGYGMSSA-N 2 1 280.416 -0.118 20 0 CBADMP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662906544 419766257 /nfs/dbraw/zinc/76/62/57/419766257.db2.gz NNAODNZCZZCMQN-NWDGAFQWSA-N 2 1 266.389 -0.510 20 0 CBADMP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662905617 419767681 /nfs/dbraw/zinc/76/76/81/419767681.db2.gz FIWSMMYNEQAPBX-CHWSQXEVSA-N 2 1 280.416 -0.119 20 0 CBADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662908345 419767741 /nfs/dbraw/zinc/76/77/41/419767741.db2.gz SXXHWNWMVVRSIB-CHWSQXEVSA-N 2 1 268.405 -0.119 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000662906409 419768671 /nfs/dbraw/zinc/76/86/71/419768671.db2.gz KAQSIDNECDUCIN-YCPHGPKFSA-N 2 1 292.427 -0.118 20 0 CBADMP [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000662908385 419769608 /nfs/dbraw/zinc/76/96/08/419769608.db2.gz UEXAMQDSUOOARM-IJLUTSLNSA-N 2 1 252.362 -0.770 20 0 CBADMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCO)[N@H+](C)C1 ZINC000452380652 544594810 /nfs/dbraw/zinc/59/48/10/544594810.db2.gz TUDJHBOKDKAXHZ-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000662939269 419787832 /nfs/dbraw/zinc/78/78/32/419787832.db2.gz NJXDQZUWPKDKOV-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCO)[N@@H+](C)C1 ZINC000452380652 544594814 /nfs/dbraw/zinc/59/48/14/544594814.db2.gz TUDJHBOKDKAXHZ-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)[NH+](C)C1 ZINC000452380652 544594819 /nfs/dbraw/zinc/59/48/19/544594819.db2.gz TUDJHBOKDKAXHZ-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCO)[NH+](C)C1 ZINC000452380652 544594823 /nfs/dbraw/zinc/59/48/23/544594823.db2.gz TUDJHBOKDKAXHZ-IHRRRGAJSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662923910 419778394 /nfs/dbraw/zinc/77/83/94/419778394.db2.gz NBQCBRHXOZYZLE-UHFFFAOYSA-N 2 1 294.399 -0.510 20 0 CBADMP CO[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCO)[N@H+](C)C1 ZINC000452380653 544595536 /nfs/dbraw/zinc/59/55/36/544595536.db2.gz TUDJHBOKDKAXHZ-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCO)[N@@H+](C)C1 ZINC000452380653 544595540 /nfs/dbraw/zinc/59/55/40/544595540.db2.gz TUDJHBOKDKAXHZ-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCO)[NH+](C)C1 ZINC000452380653 544595543 /nfs/dbraw/zinc/59/55/43/544595543.db2.gz TUDJHBOKDKAXHZ-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CCO)[NH+](C)C1 ZINC000452380653 544595547 /nfs/dbraw/zinc/59/55/47/544595547.db2.gz TUDJHBOKDKAXHZ-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662788144 419722560 /nfs/dbraw/zinc/72/25/60/419722560.db2.gz XVTYBXQDOXUWRX-CHWSQXEVSA-N 2 1 285.388 -0.469 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@H+]1C ZINC000648778915 419802302 /nfs/dbraw/zinc/80/23/02/419802302.db2.gz SXVNEVQVZJGFAW-JHJVBQTASA-N 2 1 268.405 -0.311 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC[NH+]1C ZINC000648778915 419802308 /nfs/dbraw/zinc/80/23/08/419802308.db2.gz SXVNEVQVZJGFAW-JHJVBQTASA-N 2 1 268.405 -0.311 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC[NH+]1C ZINC000648778915 419802314 /nfs/dbraw/zinc/80/23/14/419802314.db2.gz SXVNEVQVZJGFAW-JHJVBQTASA-N 2 1 268.405 -0.311 20 0 CBADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)C1(O)C[NH2+]C1 ZINC000663003658 419807644 /nfs/dbraw/zinc/80/76/44/419807644.db2.gz MJVPFHCITYRUPN-LBPRGKRZSA-N 2 1 267.373 -0.441 20 0 CBADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)C1(O)C[NH2+]C1 ZINC000663003657 419807797 /nfs/dbraw/zinc/80/77/97/419807797.db2.gz MJVPFHCITYRUPN-GFCCVEGCSA-N 2 1 267.373 -0.441 20 0 CBADMP [NH3+]CC(=O)NCC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663005875 419810714 /nfs/dbraw/zinc/81/07/14/419810714.db2.gz YZHCMKPKKYPJBE-GFCCVEGCSA-N 2 1 282.388 -0.701 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000648862093 419815814 /nfs/dbraw/zinc/81/58/14/419815814.db2.gz AQXMTPSDCGYXDM-NQBHXWOUSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000648862093 419815819 /nfs/dbraw/zinc/81/58/19/419815819.db2.gz AQXMTPSDCGYXDM-NQBHXWOUSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000648862093 419815823 /nfs/dbraw/zinc/81/58/23/419815823.db2.gz AQXMTPSDCGYXDM-NQBHXWOUSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000518497439 544602085 /nfs/dbraw/zinc/60/20/85/544602085.db2.gz XXSSUUXJIAWFLT-OLZOCXBDSA-N 2 1 283.420 -0.327 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCO)C[C@H]2C)CC[N@@H+]1C ZINC000648926209 419823437 /nfs/dbraw/zinc/82/34/37/419823437.db2.gz IJAGPNZSQZNPOM-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCO)C[C@H]2C)CC[N@H+]1C ZINC000648926209 419823442 /nfs/dbraw/zinc/82/34/42/419823442.db2.gz IJAGPNZSQZNPOM-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[N@H+](CCO)C[C@H]2C)CC[NH+]1C ZINC000648926209 419823447 /nfs/dbraw/zinc/82/34/47/419823447.db2.gz IJAGPNZSQZNPOM-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[N@@H+](CCO)C[C@H]2C)CC[NH+]1C ZINC000648926209 419823453 /nfs/dbraw/zinc/82/34/53/419823453.db2.gz IJAGPNZSQZNPOM-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649077477 419835280 /nfs/dbraw/zinc/83/52/80/419835280.db2.gz SSLVRRTXKYNGKF-LBPRGKRZSA-N 2 1 284.404 -0.095 20 0 CBADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353578669 419839094 /nfs/dbraw/zinc/83/90/94/419839094.db2.gz OGGSEFDCOLMSKT-AXFHLTTASA-N 2 1 270.377 -0.432 20 0 CBADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353578669 419839104 /nfs/dbraw/zinc/83/91/04/419839104.db2.gz OGGSEFDCOLMSKT-AXFHLTTASA-N 2 1 270.377 -0.432 20 0 CBADMP C(CN1CC[NH2+]CC1)NCc1nc2c(s1)C[NH2+]CC2 ZINC000663493773 419843564 /nfs/dbraw/zinc/84/35/64/419843564.db2.gz JTMHMIPFDRPEIR-UHFFFAOYSA-N 2 1 281.429 -0.216 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000649274449 419856694 /nfs/dbraw/zinc/85/66/94/419856694.db2.gz LUCWPRGHRVJWLB-FRRDWIJNSA-N 2 1 268.405 -0.040 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662939876 419787924 /nfs/dbraw/zinc/78/79/24/419787924.db2.gz QFDXCSNUSVLRBK-ZDUSSCGKSA-N 2 1 298.431 -0.016 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000662966110 419796212 /nfs/dbraw/zinc/79/62/12/419796212.db2.gz PIEOZYKRSWEOHI-GFCCVEGCSA-N 2 1 256.394 -0.262 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000355286477 419867698 /nfs/dbraw/zinc/86/76/98/419867698.db2.gz XPRYVKRVSQQHKW-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000649310488 419873009 /nfs/dbraw/zinc/87/30/09/419873009.db2.gz MYHNGVYWHVEWKB-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000649312484 419878980 /nfs/dbraw/zinc/87/89/80/419878980.db2.gz UFBBEAGQNZFVIN-LBPRGKRZSA-N 2 1 293.371 -0.352 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000649322898 419882876 /nfs/dbraw/zinc/88/28/76/419882876.db2.gz UYTADTHAMZJLBF-JSGCOSHPSA-N 2 1 296.415 -0.314 20 0 CBADMP O=C([C@H]1CC[NH2+]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649321151 419884143 /nfs/dbraw/zinc/88/41/43/419884143.db2.gz MZNQJRMKXAGALN-WOPDTQHZSA-N 2 1 253.346 -0.594 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649323714 419886442 /nfs/dbraw/zinc/88/64/42/419886442.db2.gz SPTTVGXXNRUICW-NNYUYHANSA-N 2 1 253.346 -0.711 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)COC1(C)C[NH2+]C1 ZINC000649340169 419896225 /nfs/dbraw/zinc/89/62/25/419896225.db2.gz FYZLJXUZCZMVIQ-UHFFFAOYSA-N 2 1 273.377 -0.551 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649291807 419860114 /nfs/dbraw/zinc/86/01/14/419860114.db2.gz STJQLMSCUPVAJH-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)CCO ZINC000665760591 544615282 /nfs/dbraw/zinc/61/52/82/544615282.db2.gz KZUNXVJQCAJING-LBPRGKRZSA-N 2 1 274.409 -0.108 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)CCO ZINC000665760591 544615288 /nfs/dbraw/zinc/61/52/88/544615288.db2.gz KZUNXVJQCAJING-LBPRGKRZSA-N 2 1 274.409 -0.108 20 0 CBADMP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000649279080 419861511 /nfs/dbraw/zinc/86/15/11/419861511.db2.gz UKMRTXHGIZYYOW-MQYQWHSLSA-N 2 1 279.384 -0.225 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000666922363 544650633 /nfs/dbraw/zinc/65/06/33/544650633.db2.gz OYOVNTZBPXLILP-AVGNSLFASA-N 2 1 284.404 -0.213 20 0 CBADMP Cc1ncc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)n1C ZINC000667659517 544669175 /nfs/dbraw/zinc/66/91/75/544669175.db2.gz JGIXDRUWRCPEPY-CQSZACIVSA-N 2 1 282.388 -0.147 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N1 ZINC000667811780 544673563 /nfs/dbraw/zinc/67/35/63/544673563.db2.gz WDVWJBIAPDZRIM-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+]1CCN(CCCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649351051 419902710 /nfs/dbraw/zinc/90/27/10/419902710.db2.gz GUADRLGORFHRDJ-FICVDOATSA-N 2 1 294.443 -0.014 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)C1 ZINC000649352951 419904045 /nfs/dbraw/zinc/90/40/45/419904045.db2.gz WROHEQWDCHBRRL-MJBXVCDLSA-N 2 1 280.416 -0.038 20 0 CBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)COCC[NH3+])CC1 ZINC000649351560 419904404 /nfs/dbraw/zinc/90/44/04/419904404.db2.gz BDIKBVGETCRWMF-UHFFFAOYSA-N 3 1 293.371 -0.253 20 0 CBADMP C[C@@H](CNC(=O)COC1(C)C[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000649351391 419904927 /nfs/dbraw/zinc/90/49/27/419904927.db2.gz TWKBOAODVQDQQX-ZDUSSCGKSA-N 2 1 298.431 -0.635 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649352904 419905391 /nfs/dbraw/zinc/90/53/91/419905391.db2.gz SVJWFGUWFOEEAU-WDEREUQCSA-N 2 1 290.358 -0.407 20 0 CBADMP CCC[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[N@H+]1CCOC ZINC000649379156 419907189 /nfs/dbraw/zinc/90/71/89/419907189.db2.gz OCMXOENZMMNAAD-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)CCC[N@H+]1C ZINC000358658681 419909513 /nfs/dbraw/zinc/90/95/13/419909513.db2.gz DYCZGTYJVMGORC-YRGRVCCFSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CCC[NH+]1C ZINC000358658681 419909519 /nfs/dbraw/zinc/90/95/19/419909519.db2.gz DYCZGTYJVMGORC-YRGRVCCFSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CCC[NH+]1C ZINC000358658681 419909524 /nfs/dbraw/zinc/90/95/24/419909524.db2.gz DYCZGTYJVMGORC-YRGRVCCFSA-N 2 1 284.404 -0.165 20 0 CBADMP OCC[N@@H+](CC[C@H]1CC[NH2+]C1)CCN1CCOCC1 ZINC000649411783 419910202 /nfs/dbraw/zinc/91/02/02/419910202.db2.gz BNNYCHYPOPYTES-CQSZACIVSA-N 2 1 271.405 -0.388 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cn[nH]c1 ZINC000649413650 419910351 /nfs/dbraw/zinc/91/03/51/419910351.db2.gz WPZIWRCFLAESSQ-UHFFFAOYSA-N 2 1 251.334 -0.337 20 0 CBADMP Cc1[nH+]cc(CN2CCN(CC[NH+](C)C)C(=O)C2)n1C ZINC000668283129 544691506 /nfs/dbraw/zinc/69/15/06/544691506.db2.gz JMTQHAUBSZDUGI-UHFFFAOYSA-N 2 1 279.388 -0.066 20 0 CBADMP C[C@@H]1C[C@H](C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC[NH2+]1 ZINC000358698588 419911848 /nfs/dbraw/zinc/91/18/48/419911848.db2.gz UZDNNXLEWIPMNJ-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000358674013 419911939 /nfs/dbraw/zinc/91/19/39/419911939.db2.gz BNRJJRQEHGOQMH-GUTXKFCHSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000358674013 419911944 /nfs/dbraw/zinc/91/19/44/419911944.db2.gz BNRJJRQEHGOQMH-GUTXKFCHSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000358674013 419911950 /nfs/dbraw/zinc/91/19/50/419911950.db2.gz BNRJJRQEHGOQMH-GUTXKFCHSA-N 2 1 296.415 -0.021 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C1([NH+](C)C)CC1 ZINC000668581389 544708499 /nfs/dbraw/zinc/70/84/99/544708499.db2.gz CNYSLLQLMBRMMR-NSHDSACASA-N 2 1 254.378 -0.557 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358709677 419914747 /nfs/dbraw/zinc/91/47/47/419914747.db2.gz RWKKOVVLKYVFLU-CYBMUJFWSA-N 2 1 281.360 -0.443 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358709677 419914752 /nfs/dbraw/zinc/91/47/52/419914752.db2.gz RWKKOVVLKYVFLU-CYBMUJFWSA-N 2 1 281.360 -0.443 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C[C@H](C)[N@@H+]1C ZINC000358713759 419914812 /nfs/dbraw/zinc/91/48/12/419914812.db2.gz SDAWPGJKSPKJEC-MJBXVCDLSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C[C@H](C)[NH+]1C ZINC000358713759 419914820 /nfs/dbraw/zinc/91/48/20/419914820.db2.gz SDAWPGJKSPKJEC-MJBXVCDLSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C[C@H](C)[NH+]1C ZINC000358713759 419914826 /nfs/dbraw/zinc/91/48/26/419914826.db2.gz SDAWPGJKSPKJEC-MJBXVCDLSA-N 2 1 280.416 -0.073 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)C1 ZINC000668658015 544713210 /nfs/dbraw/zinc/71/32/10/544713210.db2.gz CMKSJSMYJIVCTP-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000668658015 544713214 /nfs/dbraw/zinc/71/32/14/544713214.db2.gz CMKSJSMYJIVCTP-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000668658015 544713218 /nfs/dbraw/zinc/71/32/18/544713218.db2.gz CMKSJSMYJIVCTP-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000668670163 544714311 /nfs/dbraw/zinc/71/43/11/544714311.db2.gz IFWBXIWNANNJKU-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP COCC[NH2+]CCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000669402985 544749469 /nfs/dbraw/zinc/74/94/69/544749469.db2.gz DAEXYIZNPHFXIC-NSHDSACASA-N 2 1 258.366 -0.384 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669452004 544749606 /nfs/dbraw/zinc/74/96/06/544749606.db2.gz NSHMUDYZHVKHDK-CHWSQXEVSA-N 2 1 284.404 -0.042 20 0 CBADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCO1 ZINC000669491116 544750679 /nfs/dbraw/zinc/75/06/79/544750679.db2.gz MJBCDUVREGBCEK-CHWSQXEVSA-N 2 1 282.388 -0.160 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)[NH3+] ZINC000669473249 544750744 /nfs/dbraw/zinc/75/07/44/544750744.db2.gz ZHEZNXVQDQJWFG-MNOVXSKESA-N 2 1 258.366 -0.256 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491143 544751144 /nfs/dbraw/zinc/75/11/44/544751144.db2.gz NDNIAAZACBUSEU-OLZOCXBDSA-N 2 1 282.388 -0.242 20 0 CBADMP C[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538153 544752426 /nfs/dbraw/zinc/75/24/26/544752426.db2.gz AGTVVJLSAJCZJR-TUAOUCFPSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538153 544752429 /nfs/dbraw/zinc/75/24/29/544752429.db2.gz AGTVVJLSAJCZJR-TUAOUCFPSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000669524696 544752609 /nfs/dbraw/zinc/75/26/09/544752609.db2.gz ZIANSXUTKKJTKZ-BZPMIXESSA-N 2 1 295.431 -0.104 20 0 CBADMP C[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)[C@H]1C[N@H+](C)CCO1 ZINC000669538484 544753782 /nfs/dbraw/zinc/75/37/82/544753782.db2.gz TUKRGPPFZMSLRE-QJPTWQEYSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538484 544753787 /nfs/dbraw/zinc/75/37/87/544753787.db2.gz TUKRGPPFZMSLRE-QJPTWQEYSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@@H](NC(=O)N(C)C1CC([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538344 544754538 /nfs/dbraw/zinc/75/45/38/544754538.db2.gz MLYZRNQRIMFFFB-YYJSSNLHSA-N 2 1 270.377 -0.163 20 0 CBADMP C[C@@H](NC(=O)N(C)C1CC([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538344 544754542 /nfs/dbraw/zinc/75/45/42/544754542.db2.gz MLYZRNQRIMFFFB-YYJSSNLHSA-N 2 1 270.377 -0.163 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000669538488 544754689 /nfs/dbraw/zinc/75/46/89/544754689.db2.gz TXRZSYIMLOVKQL-IJLUTSLNSA-N 2 1 272.393 -0.012 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000669538488 544754692 /nfs/dbraw/zinc/75/46/92/544754692.db2.gz TXRZSYIMLOVKQL-IJLUTSLNSA-N 2 1 272.393 -0.012 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000669927725 544768539 /nfs/dbraw/zinc/76/85/39/544768539.db2.gz HSGHXSKKBOQHCO-CHWSQXEVSA-N 3 1 266.389 -0.698 20 0 CBADMP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000671817253 544834075 /nfs/dbraw/zinc/83/40/75/544834075.db2.gz KLTNCGDFPLTIQS-AAEUAGOBSA-N 2 1 294.399 -0.498 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000671816900 544834721 /nfs/dbraw/zinc/83/47/21/544834721.db2.gz MVZFOTYIYUZPMS-VXGBXAGGSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000671816900 544834726 /nfs/dbraw/zinc/83/47/26/544834726.db2.gz MVZFOTYIYUZPMS-VXGBXAGGSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000671816900 544834729 /nfs/dbraw/zinc/83/47/29/544834729.db2.gz MVZFOTYIYUZPMS-VXGBXAGGSA-N 2 1 294.399 -0.450 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000670408359 544786054 /nfs/dbraw/zinc/78/60/54/544786054.db2.gz MYDANOGEUJVGFX-ZDUSSCGKSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670408359 544786058 /nfs/dbraw/zinc/78/60/58/544786058.db2.gz MYDANOGEUJVGFX-ZDUSSCGKSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000670408359 544786060 /nfs/dbraw/zinc/78/60/60/544786060.db2.gz MYDANOGEUJVGFX-ZDUSSCGKSA-N 2 1 268.405 -0.167 20 0 CBADMP C[NH+](C)CCN1CC[N@H+](CCC(C)(C)O)CC1=O ZINC000649685040 419924799 /nfs/dbraw/zinc/92/47/99/419924799.db2.gz LRWRNFRFBGPDMW-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](CCC(C)(C)O)CC1=O ZINC000649685040 419924804 /nfs/dbraw/zinc/92/48/04/419924804.db2.gz LRWRNFRFBGPDMW-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP CC(C)[C@@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685058 419924925 /nfs/dbraw/zinc/92/49/25/419924925.db2.gz MMGLTQLLHHMFTK-LBPRGKRZSA-N 2 1 257.378 -0.291 20 0 CBADMP CC(C)[C@@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685058 419924930 /nfs/dbraw/zinc/92/49/30/419924930.db2.gz MMGLTQLLHHMFTK-LBPRGKRZSA-N 2 1 257.378 -0.291 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292096 419938935 /nfs/dbraw/zinc/93/89/35/419938935.db2.gz SGSIAIJWVHLORH-WCBMZHEXSA-N 2 1 251.334 -0.319 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N(C)CC[NH+](C)C)C1CC1 ZINC000359291037 419957259 /nfs/dbraw/zinc/95/72/59/419957259.db2.gz QKKXPTQIGAGEQT-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](O)C2)C1 ZINC000650725216 419966725 /nfs/dbraw/zinc/96/67/25/419966725.db2.gz VYIPXOBKNVOLIK-NWDGAFQWSA-N 2 1 255.362 -0.360 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@@H+]1C ZINC000650919327 419973339 /nfs/dbraw/zinc/97/33/39/419973339.db2.gz XYQPICBKSZDAJH-YRGRVCCFSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@H+]1C ZINC000650919327 419973342 /nfs/dbraw/zinc/97/33/42/419973342.db2.gz XYQPICBKSZDAJH-YRGRVCCFSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000650919327 419973346 /nfs/dbraw/zinc/97/33/46/419973346.db2.gz XYQPICBKSZDAJH-YRGRVCCFSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000650919327 419973347 /nfs/dbraw/zinc/97/33/47/419973347.db2.gz XYQPICBKSZDAJH-YRGRVCCFSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@@H+]1C ZINC000650919324 419974463 /nfs/dbraw/zinc/97/44/63/419974463.db2.gz XYQPICBKSZDAJH-MBNYWOFBSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@H+]1C ZINC000650919324 419974466 /nfs/dbraw/zinc/97/44/66/419974466.db2.gz XYQPICBKSZDAJH-MBNYWOFBSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000650919324 419974470 /nfs/dbraw/zinc/97/44/70/419974470.db2.gz XYQPICBKSZDAJH-MBNYWOFBSA-N 2 1 296.415 -0.071 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000650919324 419974474 /nfs/dbraw/zinc/97/44/74/419974474.db2.gz XYQPICBKSZDAJH-MBNYWOFBSA-N 2 1 296.415 -0.071 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CN2CCOCC2)C1 ZINC000359954039 419997548 /nfs/dbraw/zinc/99/75/48/419997548.db2.gz IABXHSMERCLNDK-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CN2CCOCC2)C1 ZINC000359954039 419997554 /nfs/dbraw/zinc/99/75/54/419997554.db2.gz IABXHSMERCLNDK-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000360170853 420007011 /nfs/dbraw/zinc/00/70/11/420007011.db2.gz PDOSILGMSZSOKV-NSHDSACASA-N 2 1 272.418 -0.597 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000360172168 420007823 /nfs/dbraw/zinc/00/78/23/420007823.db2.gz RTLOZICRKQXAEX-UHFFFAOYSA-N 2 1 286.420 -0.146 20 0 CBADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CSC[NH2+]1 ZINC000360204483 420009433 /nfs/dbraw/zinc/00/94/33/420009433.db2.gz MINUACUDDNAHNZ-LLVKDONJSA-N 2 1 273.402 -0.388 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CSC[NH2+]1 ZINC000360204494 420009836 /nfs/dbraw/zinc/00/98/36/420009836.db2.gz MIVBONZPGNKSIX-ZJUUUORDSA-N 2 1 286.401 -0.895 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CSC[NH2+]1 ZINC000360204494 420009840 /nfs/dbraw/zinc/00/98/40/420009840.db2.gz MIVBONZPGNKSIX-ZJUUUORDSA-N 2 1 286.401 -0.895 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000360204492 420010618 /nfs/dbraw/zinc/01/06/18/420010618.db2.gz MIVBONZPGNKSIX-UWVGGRQHSA-N 2 1 286.401 -0.895 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000360204492 420010622 /nfs/dbraw/zinc/01/06/22/420010622.db2.gz MIVBONZPGNKSIX-UWVGGRQHSA-N 2 1 286.401 -0.895 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364142249 420029534 /nfs/dbraw/zinc/02/95/34/420029534.db2.gz KFNNCEDZDGCCCV-TZMCWYRMSA-N 2 1 267.373 -0.176 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000364214869 420031789 /nfs/dbraw/zinc/03/17/89/420031789.db2.gz MPFABAJCRQHCAK-YVECIDJPSA-N 2 1 269.389 -0.054 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652150478 420050274 /nfs/dbraw/zinc/05/02/74/420050274.db2.gz XWYPECCZXBSZAY-LBPRGKRZSA-N 2 1 283.420 -0.340 20 0 CBADMP C[C@@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)C1C[NH2+]C1 ZINC000365047198 420052714 /nfs/dbraw/zinc/05/27/14/420052714.db2.gz XRKWDQFXIXANFW-OCCSQVGLSA-N 2 1 296.415 -0.931 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)C1C[NH2+]C1 ZINC000365047198 420052718 /nfs/dbraw/zinc/05/27/18/420052718.db2.gz XRKWDQFXIXANFW-OCCSQVGLSA-N 2 1 296.415 -0.931 20 0 CBADMP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)C1C[NH2+]C1 ZINC000365047198 420052720 /nfs/dbraw/zinc/05/27/20/420052720.db2.gz XRKWDQFXIXANFW-OCCSQVGLSA-N 2 1 296.415 -0.931 20 0 CBADMP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)C1C[NH2+]C1 ZINC000365047198 420052722 /nfs/dbraw/zinc/05/27/22/420052722.db2.gz XRKWDQFXIXANFW-OCCSQVGLSA-N 2 1 296.415 -0.931 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352051 420058801 /nfs/dbraw/zinc/05/88/01/420058801.db2.gz ZXIXVZFIXIAVDC-RYUDHWBXSA-N 2 1 275.418 -0.014 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352051 420058805 /nfs/dbraw/zinc/05/88/05/420058805.db2.gz ZXIXVZFIXIAVDC-RYUDHWBXSA-N 2 1 275.418 -0.014 20 0 CBADMP CCO[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@H]1C[NH3+] ZINC000652356641 420058882 /nfs/dbraw/zinc/05/88/82/420058882.db2.gz ZEURBXDMQSXYCF-VXGBXAGGSA-N 2 1 293.433 -0.389 20 0 CBADMP CCO[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]1C[NH3+] ZINC000652356641 420058885 /nfs/dbraw/zinc/05/88/85/420058885.db2.gz ZEURBXDMQSXYCF-VXGBXAGGSA-N 2 1 293.433 -0.389 20 0 CBADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000652352399 420059401 /nfs/dbraw/zinc/05/94/01/420059401.db2.gz PZQILGWXMNKDEG-KBPBESRZSA-N 3 1 252.406 -0.048 20 0 CBADMP C[C@H]1CCC[N@H+](CCNS(C)(=O)=O)[C@@H]1CC[NH3+] ZINC000652354510 420059628 /nfs/dbraw/zinc/05/96/28/420059628.db2.gz AOIULSKYEDKZBJ-WDEREUQCSA-N 2 1 263.407 -0.015 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)[C@@H]1CC[NH3+] ZINC000652354510 420059632 /nfs/dbraw/zinc/05/96/32/420059632.db2.gz AOIULSKYEDKZBJ-WDEREUQCSA-N 2 1 263.407 -0.015 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000365721084 420066660 /nfs/dbraw/zinc/06/66/60/420066660.db2.gz XVMUMBZETYTPBE-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000365721084 420066662 /nfs/dbraw/zinc/06/66/62/420066662.db2.gz XVMUMBZETYTPBE-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@H+]1C ZINC000672594003 544856233 /nfs/dbraw/zinc/85/62/33/544856233.db2.gz AZSYCCHIVPGHBQ-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)CC[NH+]1C ZINC000672594003 544856234 /nfs/dbraw/zinc/85/62/34/544856234.db2.gz AZSYCCHIVPGHBQ-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1C ZINC000672594003 544856240 /nfs/dbraw/zinc/85/62/40/544856240.db2.gz AZSYCCHIVPGHBQ-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111384 420117196 /nfs/dbraw/zinc/11/71/96/420117196.db2.gz NQSWFYUJVZRXGH-XFMPKHEZSA-N 2 1 279.384 -0.035 20 0 CBADMP CN(C(=O)[C@H](N)CC[NH+](C)C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000653117129 420118391 /nfs/dbraw/zinc/11/83/91/420118391.db2.gz AMXHAPOYZXQDAN-CHWSQXEVSA-N 2 1 268.405 -0.040 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000653117925 420118496 /nfs/dbraw/zinc/11/84/96/420118496.db2.gz ZPPBFKHMJXYPAB-QWHCGFSZSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000653116707 420118884 /nfs/dbraw/zinc/11/88/84/420118884.db2.gz PLPJSUFOPJTFJB-JQWIXIFHSA-N 2 1 256.394 -0.136 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653117674 420119333 /nfs/dbraw/zinc/11/93/33/420119333.db2.gz SMXKZEBLJVXSQX-SCRDCRAPSA-N 2 1 283.372 -0.941 20 0 CBADMP C[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)C[NH+]1CCOCC1 ZINC000653114535 420119383 /nfs/dbraw/zinc/11/93/83/420119383.db2.gz LWABTVTTWJOPDN-IPYPFGDCSA-N 2 1 297.399 -0.693 20 0 CBADMP C[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[N@H+]1C1CC1 ZINC000653123748 420120519 /nfs/dbraw/zinc/12/05/19/420120519.db2.gz GAVLWSYINNVWLP-ASHKBJFXSA-N 2 1 279.384 -0.036 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[N@H+]1C1CC1 ZINC000653123751 420120956 /nfs/dbraw/zinc/12/09/56/420120956.db2.gz GAVLWSYINNVWLP-ZAZJYDDPSA-N 2 1 279.384 -0.036 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000368178212 420125602 /nfs/dbraw/zinc/12/56/02/420125602.db2.gz JQJQVXHWCSPTHR-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000368324125 420128931 /nfs/dbraw/zinc/12/89/31/420128931.db2.gz MZJZGIBJLJAGLG-LBPRGKRZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000368435116 420132189 /nfs/dbraw/zinc/13/21/89/420132189.db2.gz RADWFMNNHQXQGH-SDDRHHMPSA-N 2 1 255.362 -0.300 20 0 CBADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCC[C@H]2CO)C1=O ZINC000653285495 420137369 /nfs/dbraw/zinc/13/73/69/420137369.db2.gz QJEWGMUTPXYFGP-RYUDHWBXSA-N 2 1 283.372 -0.478 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NCCC1(C[NH3+])CC1)C1CC1 ZINC000652675171 420070811 /nfs/dbraw/zinc/07/08/11/420070811.db2.gz PKFRKJCOJZYPPE-UHFFFAOYSA-N 2 1 282.388 -0.558 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000652693784 420071752 /nfs/dbraw/zinc/07/17/52/420071752.db2.gz DQVHHFOIHAKOFR-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000652705588 420074847 /nfs/dbraw/zinc/07/48/47/420074847.db2.gz KTZINKBIXZBYGF-CYBMUJFWSA-N 2 1 298.431 -0.112 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652714856 420077211 /nfs/dbraw/zinc/07/72/11/420077211.db2.gz TWQHNROESVLJCN-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652713844 420077344 /nfs/dbraw/zinc/07/73/44/420077344.db2.gz YHBZYXRZHULIHG-GFCCVEGCSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1C[NH3+] ZINC000397248497 420216428 /nfs/dbraw/zinc/21/64/28/420216428.db2.gz BSECIBNWLWCBTO-WOPDTQHZSA-N 2 1 294.399 -0.111 20 0 CBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C3([NH3+])CC3)CC2)C1 ZINC000370778091 420187349 /nfs/dbraw/zinc/18/73/49/420187349.db2.gz CUHNATBBCCVPSM-CYBMUJFWSA-N 2 1 296.415 -0.657 20 0 CBADMP CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)C3([NH3+])CC3)CC2)C1 ZINC000370778091 420187353 /nfs/dbraw/zinc/18/73/53/420187353.db2.gz CUHNATBBCCVPSM-CYBMUJFWSA-N 2 1 296.415 -0.657 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000370814133 420188364 /nfs/dbraw/zinc/18/83/64/420188364.db2.gz HSWPZUMJGDYHEL-VIFPVBQESA-N 2 1 256.350 -0.643 20 0 CBADMP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000654657293 420189879 /nfs/dbraw/zinc/18/98/79/420189879.db2.gz IICOAFDSFIACOU-LBPRGKRZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654664813 420190851 /nfs/dbraw/zinc/19/08/51/420190851.db2.gz VLPPZVXNEGYPDL-RFQIPJPRSA-N 2 1 296.415 -0.213 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000672961782 544864403 /nfs/dbraw/zinc/86/44/03/544864403.db2.gz NWKUEIQEERBWIF-SDDRHHMPSA-N 2 1 272.393 -0.045 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000672961782 544864407 /nfs/dbraw/zinc/86/44/07/544864407.db2.gz NWKUEIQEERBWIF-SDDRHHMPSA-N 2 1 272.393 -0.045 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)NS(C)(=O)=O)C1CC1 ZINC000382304103 420200363 /nfs/dbraw/zinc/20/03/63/420200363.db2.gz YKAGKTGUJZTRTN-NSHDSACASA-N 2 1 293.433 -0.641 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)NS(C)(=O)=O)C1CC1 ZINC000382304103 420200366 /nfs/dbraw/zinc/20/03/66/420200366.db2.gz YKAGKTGUJZTRTN-NSHDSACASA-N 2 1 293.433 -0.641 20 0 CBADMP CC[C@H]([NH3+])c1cn(C[C@H](O)C[N@@H+](C)CCOC)nn1 ZINC000388776460 420205600 /nfs/dbraw/zinc/20/56/00/420205600.db2.gz MPJAQGATCMHSNM-MNOVXSKESA-N 2 1 271.365 -0.373 20 0 CBADMP C[C@H](NC(=O)[C@H]1COCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396463650 420213779 /nfs/dbraw/zinc/21/37/79/420213779.db2.gz NXZRNNOVTFPCEY-CMPLNLGQSA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C[NH3+] ZINC000397248492 420215184 /nfs/dbraw/zinc/21/51/84/420215184.db2.gz BSECIBNWLWCBTO-GRYCIOLGSA-N 2 1 294.399 -0.111 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C(C)(C)CO)CC1 ZINC000653580210 420149054 /nfs/dbraw/zinc/14/90/54/420149054.db2.gz CTUUKTQVUFKFNC-ZDUSSCGKSA-N 2 1 273.421 -0.313 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000653596935 420151789 /nfs/dbraw/zinc/15/17/89/420151789.db2.gz UMVHSMDSJZPZEQ-RDBSUJKOSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000653596935 420151791 /nfs/dbraw/zinc/15/17/91/420151791.db2.gz UMVHSMDSJZPZEQ-RDBSUJKOSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000653596935 420151793 /nfs/dbraw/zinc/15/17/93/420151793.db2.gz UMVHSMDSJZPZEQ-RDBSUJKOSA-N 2 1 273.421 -0.050 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](n2cncn2)C1 ZINC000653623647 420152904 /nfs/dbraw/zinc/15/29/04/420152904.db2.gz KMEBGCWWQVEFNR-VXGBXAGGSA-N 2 1 253.350 -0.163 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000369527120 420160690 /nfs/dbraw/zinc/16/06/90/420160690.db2.gz JKDNDUIKFPSAEH-ZDUSSCGKSA-N 2 1 278.356 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCCN2CCOCC2)C1 ZINC000369690605 420164200 /nfs/dbraw/zinc/16/42/00/420164200.db2.gz WQTDADRCZCRYDM-ZDUSSCGKSA-N 2 1 285.388 -0.454 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654408728 420178619 /nfs/dbraw/zinc/17/86/19/420178619.db2.gz GASJZPIMMAZDAJ-RWMBFGLXSA-N 2 1 284.404 -0.213 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000405075885 420225856 /nfs/dbraw/zinc/22/58/56/420225856.db2.gz JPABICXJVCOPKO-OLZOCXBDSA-N 2 1 297.403 -0.316 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655297680 420240217 /nfs/dbraw/zinc/24/02/17/420240217.db2.gz PIRAXXOQBPKMMF-NWDGAFQWSA-N 2 1 255.362 -0.394 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297680 420240219 /nfs/dbraw/zinc/24/02/19/420240219.db2.gz PIRAXXOQBPKMMF-NWDGAFQWSA-N 2 1 255.362 -0.394 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297680 420240224 /nfs/dbraw/zinc/24/02/24/420240224.db2.gz PIRAXXOQBPKMMF-NWDGAFQWSA-N 2 1 255.362 -0.394 20 0 CBADMP CC[N@@H+](CC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000655296635 420240729 /nfs/dbraw/zinc/24/07/29/420240729.db2.gz OURGADSBVFWENR-QWHCGFSZSA-N 2 1 267.373 -0.252 20 0 CBADMP CC[NH+](CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000655296635 420240737 /nfs/dbraw/zinc/24/07/37/420240737.db2.gz OURGADSBVFWENR-QWHCGFSZSA-N 2 1 267.373 -0.252 20 0 CBADMP CC[NH+](CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000655296635 420240742 /nfs/dbraw/zinc/24/07/42/420240742.db2.gz OURGADSBVFWENR-QWHCGFSZSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418594160 420241385 /nfs/dbraw/zinc/24/13/85/420241385.db2.gz WFGOQHMFCSTJNV-XQQFMLRXSA-N 2 1 284.404 -0.036 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419107307 420242911 /nfs/dbraw/zinc/24/29/11/420242911.db2.gz PMJYXMAPYXKBRD-GHMZBOCLSA-N 2 1 282.388 -0.417 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000419018928 420244050 /nfs/dbraw/zinc/24/40/50/420244050.db2.gz CWJSEIRSCAHGGD-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419692761 420244735 /nfs/dbraw/zinc/24/47/35/420244735.db2.gz HFHZYSUGKVLRCS-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000419987128 420247069 /nfs/dbraw/zinc/24/70/69/420247069.db2.gz CYJXUGFZEPWYOE-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419962052 420247286 /nfs/dbraw/zinc/24/72/86/420247286.db2.gz UUDCCMUJNYIGCF-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000420151593 420249944 /nfs/dbraw/zinc/24/99/44/420249944.db2.gz BYUSBRLQWZGZRN-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655449747 420250188 /nfs/dbraw/zinc/25/01/88/420250188.db2.gz NTKRLVHLLMZBAE-NFAWXSAZSA-N 2 1 280.416 -0.262 20 0 CBADMP O=C(CC[NH2+]C1CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000655453947 420252468 /nfs/dbraw/zinc/25/24/68/420252468.db2.gz UJYSLTMMCFOQDS-CYBMUJFWSA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@H](CNC(=O)COC1(C)C[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487389 420255409 /nfs/dbraw/zinc/25/54/09/420255409.db2.gz DSLIPQWDKHTPMM-UPJWGTAASA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@H](CNC(=O)COC1(C)C[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487389 420255413 /nfs/dbraw/zinc/25/54/13/420255413.db2.gz DSLIPQWDKHTPMM-UPJWGTAASA-N 2 1 299.415 -0.021 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000422972990 420255829 /nfs/dbraw/zinc/25/58/29/420255829.db2.gz NJSQPEVSPQMDLB-XQQFMLRXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)[C@@H](C)C[NH2+]1 ZINC000423652225 420256908 /nfs/dbraw/zinc/25/69/08/420256908.db2.gz NDEPQBBYVUVOTP-RYUDHWBXSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC[NH2+]1 ZINC000423571707 420257700 /nfs/dbraw/zinc/25/77/00/420257700.db2.gz WKPIXBINSAVPQP-XQQFMLRXSA-N 2 1 294.399 -0.641 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC[NH2+]1 ZINC000423571705 420257815 /nfs/dbraw/zinc/25/78/15/420257815.db2.gz WKPIXBINSAVPQP-AVGNSLFASA-N 2 1 294.399 -0.641 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655515427 420262107 /nfs/dbraw/zinc/26/21/07/420262107.db2.gz JXLGOGDQVDFAES-JGVFFNPUSA-N 2 1 269.267 -0.287 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655515427 420262110 /nfs/dbraw/zinc/26/21/10/420262110.db2.gz JXLGOGDQVDFAES-JGVFFNPUSA-N 2 1 269.267 -0.287 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655916740 420275676 /nfs/dbraw/zinc/27/56/76/420275676.db2.gz HMLFQJBUNWXJHH-DTWKUNHWSA-N 2 1 298.309 -0.104 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655917325 420275951 /nfs/dbraw/zinc/27/59/51/420275951.db2.gz PMEUKCUXQKIKPM-DTWKUNHWSA-N 2 1 297.325 -0.579 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655914610 420275985 /nfs/dbraw/zinc/27/59/85/420275985.db2.gz GSPLQAQGESRYSC-VIFPVBQESA-N 2 1 298.309 -0.150 20 0 CBADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963072 420282025 /nfs/dbraw/zinc/28/20/25/420282025.db2.gz GCRKGXIDHVYGAM-IGQOVBAYSA-N 2 1 296.415 -0.036 20 0 CBADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963071 420282074 /nfs/dbraw/zinc/28/20/74/420282074.db2.gz GCRKGXIDHVYGAM-FQUUOJAGSA-N 2 1 296.415 -0.036 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963262 420282602 /nfs/dbraw/zinc/28/26/02/420282602.db2.gz MWJIDQIKMUYCJE-GARJFASQSA-N 2 1 256.350 -0.958 20 0 CBADMP CC(C)([NH3+])CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963224 420283029 /nfs/dbraw/zinc/28/30/29/420283029.db2.gz LWTWEGCYOFCAMJ-VHSXEESVSA-N 2 1 256.350 -0.816 20 0 CBADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963192 420283409 /nfs/dbraw/zinc/28/34/09/420283409.db2.gz KZBZVRZBZFBGBR-RWMBFGLXSA-N 2 1 284.404 -0.180 20 0 CBADMP CCCC[C@H](C[NH3+])NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963900 420283618 /nfs/dbraw/zinc/28/36/18/420283618.db2.gz UDTDIVGNWSNRKB-FRRDWIJNSA-N 2 1 284.404 -0.036 20 0 CBADMP [NH3+][C@@H](CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000655965345 420283914 /nfs/dbraw/zinc/28/39/14/420283914.db2.gz RXXYTPMFRXXVFZ-TUAOUCFPSA-N 2 1 268.361 -0.816 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000399321098 420220414 /nfs/dbraw/zinc/22/04/14/420220414.db2.gz VGYWNMIDQYMEQA-UHFFFAOYSA-N 2 1 255.362 -0.223 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+](C)C[C@@H]2COCCO2)C1=O ZINC000656480206 420311306 /nfs/dbraw/zinc/31/13/06/420311306.db2.gz YCAHVYABUNSVEV-NEPJUHHUSA-N 2 1 299.371 -0.977 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+](C)C[C@@H]2COCCO2)C1=O ZINC000656480206 420311311 /nfs/dbraw/zinc/31/13/11/420311311.db2.gz YCAHVYABUNSVEV-NEPJUHHUSA-N 2 1 299.371 -0.977 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+]CCc1cncc(C)n1 ZINC000656717410 420319936 /nfs/dbraw/zinc/31/99/36/420319936.db2.gz WIOQIAYSPPFTMK-AWEZNQCLSA-N 2 1 282.388 -0.144 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+]CCc1cncc(C)n1 ZINC000656717410 420319940 /nfs/dbraw/zinc/31/99/40/420319940.db2.gz WIOQIAYSPPFTMK-AWEZNQCLSA-N 2 1 282.388 -0.144 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673518554 544875927 /nfs/dbraw/zinc/87/59/27/544875927.db2.gz CKBPJZIITTXMSU-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)CN1CC[NH+](C)CC1 ZINC000509337680 420357865 /nfs/dbraw/zinc/35/78/65/420357865.db2.gz KTROCPHSLZQNCQ-MJBXVCDLSA-N 2 1 298.431 -0.508 20 0 CBADMP C[NH+]1CCC([NH2+]C[C@]2(OCCO)CCOC2)CC1 ZINC000657596489 420358899 /nfs/dbraw/zinc/35/88/99/420358899.db2.gz IUBFTIVBFKJPAE-CYBMUJFWSA-N 2 1 258.362 -0.162 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656021707 420293000 /nfs/dbraw/zinc/29/30/00/420293000.db2.gz HFWZGZQFBSGFJG-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656021608 420293735 /nfs/dbraw/zinc/29/37/35/420293735.db2.gz CYGZRVHKSIRYHT-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656022962 420293958 /nfs/dbraw/zinc/29/39/58/420293958.db2.gz PUSDIRLGGXFYLB-CHWSQXEVSA-N 2 1 294.399 -0.545 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656022001 420294012 /nfs/dbraw/zinc/29/40/12/420294012.db2.gz RHBDHGWGYHAGJZ-TUAOUCFPSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656028451 420294967 /nfs/dbraw/zinc/29/49/67/420294967.db2.gz LFUWPVUAOZWIRU-AGIUHOORSA-N 2 1 296.415 -0.075 20 0 CBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656028503 420295412 /nfs/dbraw/zinc/29/54/12/420295412.db2.gz LXEKPCQESZATBP-JHJVBQTASA-N 2 1 294.399 -0.321 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656028060 420295483 /nfs/dbraw/zinc/29/54/83/420295483.db2.gz IBGQHDGKBNBTEI-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000517167962 420372629 /nfs/dbraw/zinc/37/26/29/420372629.db2.gz DFGGHYZRNYGUDT-NEPJUHHUSA-N 2 1 283.372 -0.166 20 0 CBADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000517167962 420372634 /nfs/dbraw/zinc/37/26/34/420372634.db2.gz DFGGHYZRNYGUDT-NEPJUHHUSA-N 2 1 283.372 -0.166 20 0 CBADMP C[C@@H](CNC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000519387564 420381373 /nfs/dbraw/zinc/38/13/73/420381373.db2.gz LMKXLTWVFVUWFN-FQUUOJAGSA-N 2 1 273.421 -0.004 20 0 CBADMP C[C@@H](CNC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000519387564 420381377 /nfs/dbraw/zinc/38/13/77/420381377.db2.gz LMKXLTWVFVUWFN-FQUUOJAGSA-N 2 1 273.421 -0.004 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000519714292 420388099 /nfs/dbraw/zinc/38/80/99/420388099.db2.gz OZEVSLBLXJJCPO-UTLUCORTSA-N 2 1 257.334 -0.524 20 0 CBADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH2+]CCOC ZINC000519755346 420389091 /nfs/dbraw/zinc/38/90/91/420389091.db2.gz AXHJVHDOXJHGKP-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000520251430 420389772 /nfs/dbraw/zinc/38/97/72/420389772.db2.gz CMNVGIQNENPMBD-CQSZACIVSA-N 2 1 278.356 -0.236 20 0 CBADMP C[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC000675921168 544936540 /nfs/dbraw/zinc/93/65/40/544936540.db2.gz WAGPRNNMTKBYKN-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](NC(=O)NCCC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676289519 544944641 /nfs/dbraw/zinc/94/46/41/544944641.db2.gz OHFYRUYMRCKTHN-RYUDHWBXSA-N 2 1 272.393 -0.044 20 0 CBADMP C[C@H](NC(=O)NCCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676289519 544944643 /nfs/dbraw/zinc/94/46/43/544944643.db2.gz OHFYRUYMRCKTHN-RYUDHWBXSA-N 2 1 272.393 -0.044 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676287027 544944722 /nfs/dbraw/zinc/94/47/22/544944722.db2.gz MZJUFVRNZLYIIJ-QJPTWQEYSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676287027 544944725 /nfs/dbraw/zinc/94/47/25/544944725.db2.gz MZJUFVRNZLYIIJ-QJPTWQEYSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676287027 544944729 /nfs/dbraw/zinc/94/47/29/544944729.db2.gz MZJUFVRNZLYIIJ-QJPTWQEYSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676287027 544944732 /nfs/dbraw/zinc/94/47/32/544944732.db2.gz MZJUFVRNZLYIIJ-QJPTWQEYSA-N 2 1 255.362 -0.227 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000659433761 420419010 /nfs/dbraw/zinc/41/90/10/420419010.db2.gz GCBXNZOWGJDASK-UHFFFAOYSA-N 2 1 299.419 -0.471 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659452078 420420596 /nfs/dbraw/zinc/42/05/96/420420596.db2.gz LFKXDEGMMDCKQF-DNOWBOINSA-N 2 1 295.431 -0.327 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659453277 420420986 /nfs/dbraw/zinc/42/09/86/420420986.db2.gz JCANZXJSRCEANO-MBHSVXNSSA-N 2 1 281.404 -0.717 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000659461154 420421736 /nfs/dbraw/zinc/42/17/36/420421736.db2.gz XFHRJMXYRRKUNF-STQMWFEESA-N 2 1 285.436 -0.223 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659457277 420421957 /nfs/dbraw/zinc/42/19/57/420421957.db2.gz DIFHUUUXULWPSA-LXVYMNJGSA-N 2 1 282.388 -0.242 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NCC[N@@H+](C)CCCOC ZINC000659458990 420422292 /nfs/dbraw/zinc/42/22/92/420422292.db2.gz BLMVWPURVJCIEO-LLVKDONJSA-N 2 1 260.382 -0.138 20 0 CBADMP C[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1C[N@H+](C)CCO1 ZINC000659471650 420422670 /nfs/dbraw/zinc/42/26/70/420422670.db2.gz UZYGZVUPHSVTHQ-ATWGWHJKSA-N 2 1 282.388 -0.243 20 0 CBADMP C[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1C[N@@H+](C)CCO1 ZINC000659471650 420422674 /nfs/dbraw/zinc/42/26/74/420422674.db2.gz UZYGZVUPHSVTHQ-ATWGWHJKSA-N 2 1 282.388 -0.243 20 0 CBADMP CC[N@@H+]1CCN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C ZINC000677171614 544968918 /nfs/dbraw/zinc/96/89/18/544968918.db2.gz BRCNRPLZZCHZAQ-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+]1CCN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C ZINC000677171614 544968922 /nfs/dbraw/zinc/96/89/22/544968922.db2.gz BRCNRPLZZCHZAQ-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C[C@H]1C ZINC000677930643 545008959 /nfs/dbraw/zinc/00/89/59/545008959.db2.gz DLVDKGZCELXIML-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C[C@H]1C ZINC000677930643 545008961 /nfs/dbraw/zinc/00/89/61/545008961.db2.gz DLVDKGZCELXIML-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C[C@H]1C ZINC000677930643 545008962 /nfs/dbraw/zinc/00/89/62/545008962.db2.gz DLVDKGZCELXIML-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000376652506 230257112 /nfs/dbraw/zinc/25/71/12/230257112.db2.gz RADWFMNNHQXQGH-QJPTWQEYSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@@H]1C[C@H](O)CN1CC1(C[N@H+]2C[C@@H](O)C[C@H]2C)COC1 ZINC000679857488 545033136 /nfs/dbraw/zinc/03/31/36/545033136.db2.gz ZEURQMVJFLDSDH-MQYQWHSLSA-N 2 1 284.400 -0.087 20 0 CBADMP C[C@@H]1C[C@H](O)C[NH+]1CC1(C[N@H+]2C[C@@H](O)C[C@H]2C)COC1 ZINC000679857488 545033139 /nfs/dbraw/zinc/03/31/39/545033139.db2.gz ZEURQMVJFLDSDH-MQYQWHSLSA-N 2 1 284.400 -0.087 20 0 CBADMP C[C@@H]1C[C@H](O)C[NH+]1CC1(C[N@@H+]2C[C@@H](O)C[C@H]2C)COC1 ZINC000679857488 545033143 /nfs/dbraw/zinc/03/31/43/545033143.db2.gz ZEURQMVJFLDSDH-MQYQWHSLSA-N 2 1 284.400 -0.087 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000680834141 545040789 /nfs/dbraw/zinc/04/07/89/545040789.db2.gz BJKJNZPJAMNHAZ-DZGCQCFKSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000680834141 545040791 /nfs/dbraw/zinc/04/07/91/545040791.db2.gz BJKJNZPJAMNHAZ-DZGCQCFKSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000680834141 545040792 /nfs/dbraw/zinc/04/07/92/545040792.db2.gz BJKJNZPJAMNHAZ-DZGCQCFKSA-N 2 1 296.415 -0.164 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000680827760 545040803 /nfs/dbraw/zinc/04/08/03/545040803.db2.gz LSLILCLCGWFOOF-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000680827760 545040804 /nfs/dbraw/zinc/04/08/04/545040804.db2.gz LSLILCLCGWFOOF-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000680827760 545040806 /nfs/dbraw/zinc/04/08/06/545040806.db2.gz LSLILCLCGWFOOF-YPMHNXCESA-N 2 1 255.362 -0.347 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659552929 420433762 /nfs/dbraw/zinc/43/37/62/420433762.db2.gz GWEUOEOVIFGOPE-NEPJUHHUSA-N 2 1 270.377 -0.242 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000659752638 420468496 /nfs/dbraw/zinc/46/84/96/420468496.db2.gz KVKFOPUXLQRXRC-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000659751567 420468587 /nfs/dbraw/zinc/46/85/87/420468587.db2.gz VUBNTTMJOKPHCE-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C[NH2+]C)[C@H](C)C1 ZINC000659756360 420469075 /nfs/dbraw/zinc/46/90/75/420469075.db2.gz QWDBZSJAGTWYKO-UPJWGTAASA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000659755220 420469577 /nfs/dbraw/zinc/46/95/77/420469577.db2.gz JLJWJVWYAVGLAZ-AVGNSLFASA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659613466 420437695 /nfs/dbraw/zinc/43/76/95/420437695.db2.gz HOKPKIVOYMRNMU-DCBWTQNWSA-N 2 1 282.388 -0.554 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659613466 420437700 /nfs/dbraw/zinc/43/77/00/420437700.db2.gz HOKPKIVOYMRNMU-DCBWTQNWSA-N 2 1 282.388 -0.554 20 0 CBADMP O=C(NCC12CC(C1)C[NH2+]2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000659609993 420437787 /nfs/dbraw/zinc/43/77/87/420437787.db2.gz FUWSAQSJARAZLG-MRFPXMQZSA-N 2 1 280.372 -0.801 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659613467 420437987 /nfs/dbraw/zinc/43/79/87/420437987.db2.gz HOKPKIVOYMRNMU-LKSINWNRSA-N 2 1 282.388 -0.554 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659613467 420437991 /nfs/dbraw/zinc/43/79/91/420437991.db2.gz HOKPKIVOYMRNMU-LKSINWNRSA-N 2 1 282.388 -0.554 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000659615319 420438600 /nfs/dbraw/zinc/43/86/00/420438600.db2.gz YSBQFTGAKJTNGO-HJZMNPPUSA-N 2 1 296.415 -0.165 20 0 CBADMP C[NH+](C)C/C=C\C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000493448027 230336491 /nfs/dbraw/zinc/33/64/91/230336491.db2.gz FREXCRIAZFZWQV-PLNGDYQASA-N 2 1 282.388 -0.616 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000659635321 420439989 /nfs/dbraw/zinc/43/99/89/420439989.db2.gz OPPCHLLJWCUXBT-QWRGUYRKSA-N 2 1 258.366 -0.698 20 0 CBADMP C[NH+](C)C1(CNC(=O)CN2CC[NH+](C)CC2)CCC1 ZINC000682168263 545054739 /nfs/dbraw/zinc/05/47/39/545054739.db2.gz ARBDZIPEKKILRH-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000659639050 420441300 /nfs/dbraw/zinc/44/13/00/420441300.db2.gz JINMSPMXOJKFJF-OLZOCXBDSA-N 2 1 285.436 -0.081 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000659643658 420443006 /nfs/dbraw/zinc/44/30/06/420443006.db2.gz STAKPMWRMNCWIV-MNOVXSKESA-N 2 1 258.366 -0.698 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000659643658 420443008 /nfs/dbraw/zinc/44/30/08/420443008.db2.gz STAKPMWRMNCWIV-MNOVXSKESA-N 2 1 258.366 -0.698 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000659681361 420447278 /nfs/dbraw/zinc/44/72/78/420447278.db2.gz GVXVEPRNCOBZOH-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000659677666 420447958 /nfs/dbraw/zinc/44/79/58/420447958.db2.gz GUQKGFMDOPWMGG-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)CC[N@H+]1C ZINC000659677645 420448001 /nfs/dbraw/zinc/44/80/01/420448001.db2.gz GLSJREAZQJUQAP-RYUDHWBXSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000659694215 420450705 /nfs/dbraw/zinc/45/07/05/420450705.db2.gz RTVJNSHKLSVEEQ-MNOVXSKESA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000659694216 420450807 /nfs/dbraw/zinc/45/08/07/420450807.db2.gz RTVJNSHKLSVEEQ-QWRGUYRKSA-N 2 1 296.415 -0.077 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000659701769 420451970 /nfs/dbraw/zinc/45/19/70/420451970.db2.gz JJRUSAQFYPBOIY-SRVKXCTJSA-N 2 1 282.388 -0.547 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000659699524 420452014 /nfs/dbraw/zinc/45/20/14/420452014.db2.gz WIXCFAMYRQQDGV-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659698246 420452200 /nfs/dbraw/zinc/45/22/00/420452200.db2.gz DCPRKAJTORWKGX-XIKARTHZSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000659704342 420452560 /nfs/dbraw/zinc/45/25/60/420452560.db2.gz KJLDWITVKLBMDW-PWSUYJOCSA-N 2 1 282.388 -0.689 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659705146 420452866 /nfs/dbraw/zinc/45/28/66/420452866.db2.gz VGDCRDCYCUJEOD-QWRGUYRKSA-N 2 1 282.388 -0.689 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000659708220 420453710 /nfs/dbraw/zinc/45/37/10/420453710.db2.gz PYDWPSJYBLWANE-NEPJUHHUSA-N 2 1 298.431 -0.053 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000659709269 420454347 /nfs/dbraw/zinc/45/43/47/420454347.db2.gz GMMMKCZGUFOFAE-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])C1 ZINC000659709652 420454455 /nfs/dbraw/zinc/45/44/55/420454455.db2.gz JRBFHMPKDJNZTD-SECBINFHSA-N 2 1 256.350 -0.950 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659710057 420455028 /nfs/dbraw/zinc/45/50/28/420455028.db2.gz LKTGPMPPEWMUHM-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP Nc1ncc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)s1 ZINC000572000758 420455477 /nfs/dbraw/zinc/45/54/77/420455477.db2.gz QDMZTNCXICPGNS-VIFPVBQESA-N 2 1 283.401 0.012 20 0 CBADMP Nc1ncc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)s1 ZINC000572000755 420455625 /nfs/dbraw/zinc/45/56/25/420455625.db2.gz QDMZTNCXICPGNS-SECBINFHSA-N 2 1 283.401 0.012 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659718213 420457671 /nfs/dbraw/zinc/45/76/71/420457671.db2.gz MRXPAXKYQXUZLG-MNOVXSKESA-N 2 1 284.404 -0.314 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000659718022 420457794 /nfs/dbraw/zinc/45/77/94/420457794.db2.gz LKECKIRAJIJQLN-NEPJUHHUSA-N 2 1 284.404 -0.314 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000659717503 420458069 /nfs/dbraw/zinc/45/80/69/420458069.db2.gz HZTOQQIQGZDDGY-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000659720865 420459568 /nfs/dbraw/zinc/45/95/68/420459568.db2.gz FXLNHBOFOKGJOB-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000659729691 420461354 /nfs/dbraw/zinc/46/13/54/420461354.db2.gz TUMCILMMKIHNCS-TUAOUCFPSA-N 2 1 284.404 -0.171 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659738161 420463260 /nfs/dbraw/zinc/46/32/60/420463260.db2.gz AULKNIXDFWQWIK-MNOVXSKESA-N 2 1 270.377 -0.689 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659738510 420463409 /nfs/dbraw/zinc/46/34/09/420463409.db2.gz FGAMJZCUDBYXJR-MQYJIDSJSA-N 2 1 294.399 -0.545 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)C1 ZINC000659738290 420463572 /nfs/dbraw/zinc/46/35/72/420463572.db2.gz DHIJTGZELJVVQH-XQQFMLRXSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH2+]C)C2)C1 ZINC000659738304 420463698 /nfs/dbraw/zinc/46/36/98/420463698.db2.gz DMMIOZPRDLNDDE-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000659738178 420463815 /nfs/dbraw/zinc/46/38/15/420463815.db2.gz BEEVMHMUEKHYQL-GHMZBOCLSA-N 2 1 268.361 -0.854 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000659739431 420464395 /nfs/dbraw/zinc/46/43/95/420464395.db2.gz UJQAZWWGEJQLAY-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000659739617 420464852 /nfs/dbraw/zinc/46/48/52/420464852.db2.gz XUDSXONZICERBV-ZDUSSCGKSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000659751247 420467151 /nfs/dbraw/zinc/46/71/51/420467151.db2.gz FPNHVTCSCOLGPQ-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000660380985 420489386 /nfs/dbraw/zinc/48/93/86/420489386.db2.gz IWHUWDQZVQQPAO-RWMBFGLXSA-N 2 1 262.394 -0.249 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000660380985 420489387 /nfs/dbraw/zinc/48/93/87/420489387.db2.gz IWHUWDQZVQQPAO-RWMBFGLXSA-N 2 1 262.394 -0.249 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C[C@H](C)O)[C@@H](C)CO ZINC000660380985 420489388 /nfs/dbraw/zinc/48/93/88/420489388.db2.gz IWHUWDQZVQQPAO-RWMBFGLXSA-N 2 1 262.394 -0.249 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C[C@H](C)O)[C@@H](C)CO ZINC000660380985 420489389 /nfs/dbraw/zinc/48/93/89/420489389.db2.gz IWHUWDQZVQQPAO-RWMBFGLXSA-N 2 1 262.394 -0.249 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000518186063 260352092 /nfs/dbraw/zinc/35/20/92/260352092.db2.gz YGWHMQUJPWGRIR-WDEREUQCSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000518980931 265273766 /nfs/dbraw/zinc/27/37/66/265273766.db2.gz WSQOOCXWYDBNGD-VXGBXAGGSA-N 2 1 256.394 -0.278 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000518997448 265287818 /nfs/dbraw/zinc/28/78/18/265287818.db2.gz XKOXPMUBEKZMLM-CYBMUJFWSA-N 2 1 268.405 -0.308 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000518497438 269599070 /nfs/dbraw/zinc/59/90/70/269599070.db2.gz XXSSUUXJIAWFLT-CHWSQXEVSA-N 2 1 283.420 -0.327 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000419835313 276029806 /nfs/dbraw/zinc/02/98/06/276029806.db2.gz ACPPJHUZKBMFKZ-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000419835313 276029807 /nfs/dbraw/zinc/02/98/07/276029807.db2.gz ACPPJHUZKBMFKZ-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000261741081 276154390 /nfs/dbraw/zinc/15/43/90/276154390.db2.gz MCJKLZFMCVCANI-GHMZBOCLSA-N 2 1 280.372 -0.142 20 0 CBADMP CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000261741081 276154392 /nfs/dbraw/zinc/15/43/92/276154392.db2.gz MCJKLZFMCVCANI-GHMZBOCLSA-N 2 1 280.372 -0.142 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000419015783 276176055 /nfs/dbraw/zinc/17/60/55/276176055.db2.gz FAJFRFVVHGYCJG-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000376453084 276209068 /nfs/dbraw/zinc/20/90/68/276209068.db2.gz BNIPBFZJIUYSKI-AGIUHOORSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000376453084 276209069 /nfs/dbraw/zinc/20/90/69/276209069.db2.gz BNIPBFZJIUYSKI-AGIUHOORSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)C[NH3+])C[C@H]1C ZINC000420017797 276244806 /nfs/dbraw/zinc/24/48/06/276244806.db2.gz WTWUXPCTURTZFX-MXWKQRLJSA-N 2 1 270.377 -0.609 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)C[NH3+])C[C@H]1C ZINC000420017797 276244807 /nfs/dbraw/zinc/24/48/07/276244807.db2.gz WTWUXPCTURTZFX-MXWKQRLJSA-N 2 1 270.377 -0.609 20 0 CBADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000037020401 276522424 /nfs/dbraw/zinc/52/24/24/276522424.db2.gz PRPJOHPXMXINJE-ZWNOBZJWSA-N 2 1 284.404 -0.314 20 0 CBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424171763 277182245 /nfs/dbraw/zinc/18/22/45/277182245.db2.gz JKYOEAKKCKRVSX-FRRDWIJNSA-N 2 1 267.373 -0.083 20 0 CBADMP COCCC[N@H+]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000375961407 277206927 /nfs/dbraw/zinc/20/69/27/277206927.db2.gz BSESCTHCQNLKFQ-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000311800806 277241825 /nfs/dbraw/zinc/24/18/25/277241825.db2.gz ZOLLNMGFXUSHPA-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000311800806 277241827 /nfs/dbraw/zinc/24/18/27/277241827.db2.gz ZOLLNMGFXUSHPA-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000311800806 277241828 /nfs/dbraw/zinc/24/18/28/277241828.db2.gz ZOLLNMGFXUSHPA-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000311800806 277241829 /nfs/dbraw/zinc/24/18/29/277241829.db2.gz ZOLLNMGFXUSHPA-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@]1(C)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000352364310 277254953 /nfs/dbraw/zinc/25/49/53/277254953.db2.gz BQANLUVXDSNOKL-TZMCWYRMSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@]1(C)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000352364310 277254954 /nfs/dbraw/zinc/25/49/54/277254954.db2.gz BQANLUVXDSNOKL-TZMCWYRMSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@]1(C)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000352364310 277254956 /nfs/dbraw/zinc/25/49/56/277254956.db2.gz BQANLUVXDSNOKL-TZMCWYRMSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@]1(C)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352364310 277254957 /nfs/dbraw/zinc/25/49/57/277254957.db2.gz BQANLUVXDSNOKL-TZMCWYRMSA-N 2 1 269.389 -0.101 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343995336 277264734 /nfs/dbraw/zinc/26/47/34/277264734.db2.gz YPAAMQCFTRONAG-ZNMIVQPWSA-N 2 1 285.432 -0.049 20 0 CBADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419698564 277387740 /nfs/dbraw/zinc/38/77/40/277387740.db2.gz PUIBVYIDUDFUJA-LBPRGKRZSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H](CNC(=O)N1CC[NH2+][C@H](C)C1)C[NH+]1CCOCC1 ZINC000417726253 277582554 /nfs/dbraw/zinc/58/25/54/277582554.db2.gz MLLQODGVVRXTKX-QWHCGFSZSA-N 2 1 284.404 -0.042 20 0 CBADMP C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@@H]1C[NH3+] ZINC000333572515 277746230 /nfs/dbraw/zinc/74/62/30/277746230.db2.gz MPKXMAADPVNQQI-WYUUTHIRSA-N 2 1 255.362 -0.193 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCC[N@H+]1C ZINC000419563764 278083625 /nfs/dbraw/zinc/08/36/25/278083625.db2.gz WWQMKZNZWLFUNB-ADEWGFFLSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418699118 278229749 /nfs/dbraw/zinc/22/97/49/278229749.db2.gz NSWWBSQLXWVKON-SRVKXCTJSA-N 2 1 272.393 -0.132 20 0 CBADMP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000444351256 278392592 /nfs/dbraw/zinc/39/25/92/278392592.db2.gz JMHJJLZSJYUOAK-TZMCWYRMSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000444351256 278392593 /nfs/dbraw/zinc/39/25/93/278392593.db2.gz JMHJJLZSJYUOAK-TZMCWYRMSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000444351256 278392594 /nfs/dbraw/zinc/39/25/94/278392594.db2.gz JMHJJLZSJYUOAK-TZMCWYRMSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000444351256 278392597 /nfs/dbraw/zinc/39/25/97/278392597.db2.gz JMHJJLZSJYUOAK-TZMCWYRMSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000457087958 288083679 /nfs/dbraw/zinc/08/36/79/288083679.db2.gz BLTQTBHOIQBIOD-AGIUHOORSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000457087958 288083682 /nfs/dbraw/zinc/08/36/82/288083682.db2.gz BLTQTBHOIQBIOD-AGIUHOORSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457087958 288083683 /nfs/dbraw/zinc/08/36/83/288083683.db2.gz BLTQTBHOIQBIOD-AGIUHOORSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457087958 288083687 /nfs/dbraw/zinc/08/36/87/288083687.db2.gz BLTQTBHOIQBIOD-AGIUHOORSA-N 2 1 269.389 -0.291 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423604822 278885807 /nfs/dbraw/zinc/88/58/07/278885807.db2.gz JAUKUQPZFMIHEW-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000420005475 278886234 /nfs/dbraw/zinc/88/62/34/278886234.db2.gz PLNVPWNLZIMRSP-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000362498157 288083890 /nfs/dbraw/zinc/08/38/90/288083890.db2.gz KWVHNSRQILSNJS-OLZOCXBDSA-N 2 1 296.415 -0.584 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CCC[N@H+]1C ZINC000419562613 279119504 /nfs/dbraw/zinc/11/95/04/279119504.db2.gz VIRYKIAQZHASQR-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH3+])C1CC1 ZINC000419524846 279190645 /nfs/dbraw/zinc/19/06/45/279190645.db2.gz QLEYEAOKRGDFHM-JTQLQIEISA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370568 279240275 /nfs/dbraw/zinc/24/02/75/279240275.db2.gz RHZAOOBIHCVSNX-YPMHNXCESA-N 2 1 268.405 -0.040 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370568 279240278 /nfs/dbraw/zinc/24/02/78/279240278.db2.gz RHZAOOBIHCVSNX-YPMHNXCESA-N 2 1 268.405 -0.040 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420064438 279284317 /nfs/dbraw/zinc/28/43/17/279284317.db2.gz ORVADDYOYPCVJR-GFCCVEGCSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@H+]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000333606926 279285467 /nfs/dbraw/zinc/28/54/67/279285467.db2.gz XKYXJZGUUXXGRL-LBPRGKRZSA-N 2 1 270.377 -0.288 20 0 CBADMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423377395 279299374 /nfs/dbraw/zinc/29/93/74/279299374.db2.gz BPHMMFVGIVEYKN-MNOVXSKESA-N 2 1 271.361 -0.181 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423377395 279299375 /nfs/dbraw/zinc/29/93/75/279299375.db2.gz BPHMMFVGIVEYKN-MNOVXSKESA-N 2 1 271.361 -0.181 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419838005 279308077 /nfs/dbraw/zinc/30/80/77/279308077.db2.gz DUSYNTNSJNCURI-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[N@@H+](C)C1CC1 ZINC000419593585 279325638 /nfs/dbraw/zinc/32/56/38/279325638.db2.gz SWONVFZZQQDSIX-IJLUTSLNSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357932598 288122781 /nfs/dbraw/zinc/12/27/81/288122781.db2.gz QKMZOZNJYHMRAW-HKWIRBFKSA-N 2 1 253.346 -0.692 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418246701 279367871 /nfs/dbraw/zinc/36/78/71/279367871.db2.gz UGZAKOCVHLNFCU-OLZOCXBDSA-N 2 1 285.436 -0.082 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419333497 288126222 /nfs/dbraw/zinc/12/62/22/288126222.db2.gz MGDOFNUKSBUJBS-NTZNESFSSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419338008 288126272 /nfs/dbraw/zinc/12/62/72/288126272.db2.gz RRFQAWYDHDNRNA-NTZNESFSSA-N 2 1 294.399 -0.547 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000449736237 279388195 /nfs/dbraw/zinc/38/81/95/279388195.db2.gz UNKLNDPGUZRLIK-XQQFMLRXSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000449736237 279388196 /nfs/dbraw/zinc/38/81/96/279388196.db2.gz UNKLNDPGUZRLIK-XQQFMLRXSA-N 2 1 267.373 -0.083 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367408136 279790710 /nfs/dbraw/zinc/79/07/10/279790710.db2.gz ONLVBEDPGWJPCH-BDAKNGLRSA-N 2 1 263.288 -0.570 20 0 CBADMP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000353443036 280069884 /nfs/dbraw/zinc/06/98/84/280069884.db2.gz BXDNTHXWUOUPBI-IHRRRGAJSA-N 2 1 282.432 -0.018 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419527457 280097038 /nfs/dbraw/zinc/09/70/38/280097038.db2.gz VBVCQSDMHUHJKW-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCC[N@H+]1C ZINC000419566271 280103609 /nfs/dbraw/zinc/10/36/09/280103609.db2.gz ZSQVZLCUBRQFJX-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000303998149 280203475 /nfs/dbraw/zinc/20/34/75/280203475.db2.gz QASADNPLXCOZAA-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP CC[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000262367727 280351554 /nfs/dbraw/zinc/35/15/54/280351554.db2.gz LGQXAQBOIDTFTO-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000094460006 288303706 /nfs/dbraw/zinc/30/37/06/288303706.db2.gz YQOCELAMSDVQCB-WYUUTHIRSA-N 2 1 253.346 -0.596 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365333670 288311228 /nfs/dbraw/zinc/31/12/28/288311228.db2.gz YQOCELAMSDVQCB-NOOOWODRSA-N 2 1 253.346 -0.596 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000261785802 281922967 /nfs/dbraw/zinc/92/29/67/281922967.db2.gz UMHSMCPVWPLLSI-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)C/C=C\C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000491905304 282022693 /nfs/dbraw/zinc/02/26/93/282022693.db2.gz MGGCEUOQRLXIPP-DJFZKKHWSA-N 2 1 282.388 -0.440 20 0 CBADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333830322 289037251 /nfs/dbraw/zinc/03/72/51/289037251.db2.gz MLSIMJOHJKOLAE-FRRDWIJNSA-N 2 1 284.404 -0.165 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000337710181 289205578 /nfs/dbraw/zinc/20/55/78/289205578.db2.gz BEOHJOMJRVQVSE-FZMZJTMJSA-N 2 1 284.404 -0.165 20 0 CBADMP CN(C)S(=O)(=O)CCC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430592537 289239870 /nfs/dbraw/zinc/23/98/70/289239870.db2.gz NCFAGLRHPBGXGW-LLVKDONJSA-N 2 1 263.407 -0.015 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430919604 289271039 /nfs/dbraw/zinc/27/10/39/289271039.db2.gz LSNUEKIPBOWGTJ-GRYCIOLGSA-N 2 1 282.388 -0.621 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430919604 289271041 /nfs/dbraw/zinc/27/10/41/289271041.db2.gz LSNUEKIPBOWGTJ-GRYCIOLGSA-N 2 1 282.388 -0.621 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351860182 289271289 /nfs/dbraw/zinc/27/12/89/289271289.db2.gz HTEPZOICXRNCRQ-UMSGYPCISA-N 2 1 296.415 -0.232 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442785817 289271719 /nfs/dbraw/zinc/27/17/19/289271719.db2.gz YLGNLIZEYSPMMH-FDYHWXHSSA-N 2 1 296.415 -0.232 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000068805650 290035512 /nfs/dbraw/zinc/03/55/12/290035512.db2.gz PRUJXNHQIKYVMN-GFCCVEGCSA-N 2 1 268.405 -0.133 20 0 CBADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCOCC[NH3+])CC1 ZINC000357079765 290085115 /nfs/dbraw/zinc/08/51/15/290085115.db2.gz LLUYATAWLSGDTP-ZDUSSCGKSA-N 3 1 273.421 -0.014 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000333813741 290096690 /nfs/dbraw/zinc/09/66/90/290096690.db2.gz JULOVMGDHLFFRR-RWMBFGLXSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000418347327 290099089 /nfs/dbraw/zinc/09/90/89/290099089.db2.gz CZTIEBFMYDWUEP-GRYCIOLGSA-N 2 1 270.377 -0.555 20 0 CBADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)NC(N)=O)C2)C1 ZINC000429011398 290187414 /nfs/dbraw/zinc/18/74/14/290187414.db2.gz SHRFWTUGHOBZMI-GFCCVEGCSA-N 2 1 254.334 -0.401 20 0 CBADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)NC(N)=O)C2)C1 ZINC000429011398 290187415 /nfs/dbraw/zinc/18/74/15/290187415.db2.gz SHRFWTUGHOBZMI-GFCCVEGCSA-N 2 1 254.334 -0.401 20 0 CBADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)NC(N)=O)C2)C1 ZINC000429011398 290187416 /nfs/dbraw/zinc/18/74/16/290187416.db2.gz SHRFWTUGHOBZMI-GFCCVEGCSA-N 2 1 254.334 -0.401 20 0 CBADMP COC[C@]1(CNC(=O)[C@H]2[NH2+]CCO[C@H]2C)CCC[NH2+]1 ZINC000357275410 293292742 /nfs/dbraw/zinc/29/27/42/293292742.db2.gz RISVKYMBDBOIRJ-GMXVVIOVSA-N 2 1 271.361 -0.752 20 0 CBADMP [NH3+]C1(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000372099236 295201885 /nfs/dbraw/zinc/20/18/85/295201885.db2.gz SFXWGZKEOLFCHV-QWRGUYRKSA-N 2 1 253.346 -0.465 20 0 CBADMP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331682989 295251903 /nfs/dbraw/zinc/25/19/03/295251903.db2.gz UJIWPUCHGMWWNV-XQQFMLRXSA-N 2 1 294.399 -0.321 20 0 CBADMP NS(=O)(=O)C[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261950831 295283741 /nfs/dbraw/zinc/28/37/41/295283741.db2.gz NZTNDMZDKDJXMB-LBPRGKRZSA-N 2 1 275.418 -0.014 20 0 CBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000419700614 295317878 /nfs/dbraw/zinc/31/78/78/295317878.db2.gz XUDSSVAZZRNEHG-NEPJUHHUSA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000333294659 297275021 /nfs/dbraw/zinc/27/50/21/297275021.db2.gz IDSAWHMVLODELS-WZRBSPASSA-N 2 1 282.388 -0.019 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442785819 298037973 /nfs/dbraw/zinc/03/79/73/298037973.db2.gz YLGNLIZEYSPMMH-LPWJVIDDSA-N 2 1 296.415 -0.232 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000362868557 300225254 /nfs/dbraw/zinc/22/52/54/300225254.db2.gz QFRRDAWNTQQXIM-NWDGAFQWSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333430221 300231591 /nfs/dbraw/zinc/23/15/91/300231591.db2.gz UKYMFWUVUNNATP-BQUFFADESA-N 2 1 282.388 -0.557 20 0 CBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000418375721 300245955 /nfs/dbraw/zinc/24/59/55/300245955.db2.gz HXSQSXIBIYTZHY-RYUDHWBXSA-N 2 1 284.404 -0.165 20 0 CBADMP [NH3+]C1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCCC1 ZINC000186720432 303354235 /nfs/dbraw/zinc/35/42/35/303354235.db2.gz SLSGAAHPDXSZBG-GFCCVEGCSA-N 2 1 294.399 -0.319 20 0 CBADMP O=C(COC1C[NH2+]C1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000567822680 327908618 /nfs/dbraw/zinc/90/86/18/327908618.db2.gz JPTNZYXYLJMMEE-UONOGXRCSA-N 2 1 297.399 -0.266 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000563144300 327929935 /nfs/dbraw/zinc/92/99/35/327929935.db2.gz VYUDRXJKOADPIV-MNOVXSKESA-N 2 1 298.339 -0.675 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000563166749 327944850 /nfs/dbraw/zinc/94/48/50/327944850.db2.gz SYKPDZDKFKTPHO-NEPJUHHUSA-N 2 1 256.394 -0.264 20 0 CBADMP CN1CCN(C(=O)CC(F)(F)C[NH3+])[C@H](C[NH3+])C1 ZINC000563337151 328054572 /nfs/dbraw/zinc/05/45/72/328054572.db2.gz RDDIXWRCZYCSQY-MRVPVSSYSA-N 2 1 250.293 -0.928 20 0 CBADMP Cc1nccn1CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563444004 328067018 /nfs/dbraw/zinc/06/70/18/328067018.db2.gz ZYLIKEGNSQOBAZ-STQMWFEESA-N 2 1 277.372 -0.175 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000563597507 328076178 /nfs/dbraw/zinc/07/61/78/328076178.db2.gz XSKWOPKYIXYZCX-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000563597507 328076180 /nfs/dbraw/zinc/07/61/80/328076180.db2.gz XSKWOPKYIXYZCX-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000563597507 328076181 /nfs/dbraw/zinc/07/61/81/328076181.db2.gz XSKWOPKYIXYZCX-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)NCC[N@@H+]1CC=CCC1 ZINC000392870867 329059555 /nfs/dbraw/zinc/05/95/55/329059555.db2.gz YNBBGQCKWNCFFG-GFCCVEGCSA-N 2 1 253.346 -0.257 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000571149654 328088185 /nfs/dbraw/zinc/08/81/85/328088185.db2.gz MZDPUEWZLKNUGQ-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CC1(C[NH3+])CC1 ZINC000572838806 328096082 /nfs/dbraw/zinc/09/60/82/328096082.db2.gz NPUCZQXKBKGKNM-LBPRGKRZSA-N 2 1 268.405 -0.133 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000580952894 328108265 /nfs/dbraw/zinc/10/82/65/328108265.db2.gz ACONPFVGBFXUMN-AXFHLTTASA-N 2 1 263.345 -0.370 20 0 CBADMP C[C@@H](C(=O)N1CC[NH2+][C@@H](C)[C@H]1C)N1CC[NH+](C)CC1 ZINC000575315747 335092658 /nfs/dbraw/zinc/09/26/58/335092658.db2.gz BFYULEMUWXQBTK-XQQFMLRXSA-N 2 1 268.405 -0.169 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000568750019 327013923 /nfs/dbraw/zinc/01/39/23/327013923.db2.gz RNHXUNLXXQPTME-RDBSUJKOSA-N 3 1 280.416 -0.275 20 0 CBADMP C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000569003738 327028686 /nfs/dbraw/zinc/02/86/86/327028686.db2.gz RATVOCOMHRFZIL-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC[N@H+]1C ZINC000584221967 327066291 /nfs/dbraw/zinc/06/62/91/327066291.db2.gz MJAVKGAISOAEIJ-UONOGXRCSA-N 2 1 297.447 -0.128 20 0 CBADMP COCC[NH+]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000564644969 327144799 /nfs/dbraw/zinc/14/47/99/327144799.db2.gz RPAZWLJZYXKDFU-CYBMUJFWSA-N 2 1 284.404 -0.040 20 0 CBADMP C[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)[N@@H+](C)C1CC1 ZINC000564653381 327159991 /nfs/dbraw/zinc/15/99/91/327159991.db2.gz VFDZJKGKYBYSGS-JTQLQIEISA-N 2 1 280.376 -0.161 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000569357401 327162313 /nfs/dbraw/zinc/16/23/13/327162313.db2.gz JEXUURJVWHZJQH-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000566212444 327196653 /nfs/dbraw/zinc/19/66/53/327196653.db2.gz QXUMQRCGRAJQJA-NEPJUHHUSA-N 2 1 271.361 -0.798 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000566212444 327196655 /nfs/dbraw/zinc/19/66/55/327196655.db2.gz QXUMQRCGRAJQJA-NEPJUHHUSA-N 2 1 271.361 -0.798 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000564656653 327198188 /nfs/dbraw/zinc/19/81/88/327198188.db2.gz WADZXGXVSFCODZ-BXKDBHETSA-N 2 1 275.324 -0.573 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000564656657 327198208 /nfs/dbraw/zinc/19/82/08/327198208.db2.gz WADZXGXVSFCODZ-CABZTGNLSA-N 2 1 275.324 -0.573 20 0 CBADMP NC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000569576730 327200750 /nfs/dbraw/zinc/20/07/50/327200750.db2.gz CYDGAYZHMBRBDF-UWVGGRQHSA-N 2 1 254.334 -0.497 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000574072585 327287861 /nfs/dbraw/zinc/28/78/61/327287861.db2.gz XWNOZMAPBLJHNK-WYUUTHIRSA-N 2 1 253.346 -0.569 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H](C)N1 ZINC000564969600 327290144 /nfs/dbraw/zinc/29/01/44/327290144.db2.gz VEHYTKCJDCSYDA-XQQFMLRXSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H](C)N1 ZINC000564969600 327290146 /nfs/dbraw/zinc/29/01/46/327290146.db2.gz VEHYTKCJDCSYDA-XQQFMLRXSA-N 2 1 268.405 -0.134 20 0 CBADMP Cn1cncc1CCC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000583449037 327372818 /nfs/dbraw/zinc/37/28/18/327372818.db2.gz ZFBKLAOGKOJKAA-HNNXBMFYSA-N 2 1 296.415 -0.022 20 0 CBADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000583449037 327372820 /nfs/dbraw/zinc/37/28/20/327372820.db2.gz ZFBKLAOGKOJKAA-HNNXBMFYSA-N 2 1 296.415 -0.022 20 0 CBADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000583449037 327372821 /nfs/dbraw/zinc/37/28/21/327372821.db2.gz ZFBKLAOGKOJKAA-HNNXBMFYSA-N 2 1 296.415 -0.022 20 0 CBADMP O=C(CCOC1C[NH2+]C1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000579581581 327392585 /nfs/dbraw/zinc/39/25/85/327392585.db2.gz FOUFDLCTRBGAKQ-CQSZACIVSA-N 2 1 290.367 -0.067 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566497212 327399586 /nfs/dbraw/zinc/39/95/86/327399586.db2.gz XZAWKCTVFFXOLV-YNEHKIRRSA-N 2 1 294.399 -0.369 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)C[N@H+]1C1CC1 ZINC000582476367 329094711 /nfs/dbraw/zinc/09/47/11/329094711.db2.gz UDESODIIRFSHDQ-MBNYWOFBSA-N 2 1 295.431 -0.186 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1C ZINC000582964798 329292609 /nfs/dbraw/zinc/29/26/09/329292609.db2.gz INUGLTNPCNFONQ-QWHCGFSZSA-N 2 1 268.357 -0.095 20 0 CBADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000582966063 329294942 /nfs/dbraw/zinc/29/49/42/329294942.db2.gz DQOOICKZNAMASX-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)[C@@H]2C1 ZINC000583194023 329355789 /nfs/dbraw/zinc/35/57/89/329355789.db2.gz PZMZLZFWJPRTES-VXGBXAGGSA-N 2 1 294.399 -0.463 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000583204375 329363828 /nfs/dbraw/zinc/36/38/28/329363828.db2.gz NMPLWSOJMCUXLO-ZDUSSCGKSA-N 2 1 278.356 -0.210 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000399243968 329449298 /nfs/dbraw/zinc/44/92/98/329449298.db2.gz VJIJYCBAAPUVLT-ZDUSSCGKSA-N 2 1 282.388 -0.560 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000584469882 329493075 /nfs/dbraw/zinc/49/30/75/329493075.db2.gz BBIOTNCSLCTWKI-GHMZBOCLSA-N 2 1 272.320 -0.265 20 0 CBADMP CN(C)c1cc(NC(=O)c2cn(CC[NH3+])nn2)cc[nH+]1 ZINC000571941365 329932448 /nfs/dbraw/zinc/93/24/48/329932448.db2.gz GKCKDGSOYFVMEK-UHFFFAOYSA-N 2 1 275.316 -0.050 20 0 CBADMP CNC(=O)CCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000580446624 330139980 /nfs/dbraw/zinc/13/99/80/330139980.db2.gz RDBOVRSCGFFFHP-UHFFFAOYSA-N 2 1 299.415 -0.328 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1cnn(C)c1 ZINC000575400171 335100436 /nfs/dbraw/zinc/10/04/36/335100436.db2.gz RQJLICFIGYBCNX-DLOVCJGASA-N 2 1 265.361 -0.205 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000575803108 335116748 /nfs/dbraw/zinc/11/67/48/335116748.db2.gz DEUIRJUDYSBFCA-OAHLLOKOSA-N 3 1 280.416 -0.164 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000575803108 335116749 /nfs/dbraw/zinc/11/67/49/335116749.db2.gz DEUIRJUDYSBFCA-OAHLLOKOSA-N 3 1 280.416 -0.164 20 0 CBADMP COC(=O)C[C@H](N)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000572519573 333115216 /nfs/dbraw/zinc/11/52/16/333115216.db2.gz NAAYVKYRQDACEA-KKZNHRDASA-N 2 1 269.345 -0.382 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000572519573 333115220 /nfs/dbraw/zinc/11/52/20/333115220.db2.gz NAAYVKYRQDACEA-KKZNHRDASA-N 2 1 269.345 -0.382 20 0 CBADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCC(=O)NC(N)=O)C1 ZINC000575861743 335124921 /nfs/dbraw/zinc/12/49/21/335124921.db2.gz HNJRIEXIZTZHPE-JTQLQIEISA-N 2 1 256.350 -0.107 20 0 CBADMP C[N@@H+](C[C@H](O)CN[C@H](CO)C[NH+]1CCCCC1)C1CC1 ZINC000575988184 335138847 /nfs/dbraw/zinc/13/88/47/335138847.db2.gz AIPGDFRWJDEULA-DZGCQCFKSA-N 2 1 285.432 -0.122 20 0 CBADMP COCC[NH+]1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000576002434 335140577 /nfs/dbraw/zinc/14/05/77/335140577.db2.gz XGKZJYCSNFXVKP-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP O=C(CCOC1C[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000564322019 334091219 /nfs/dbraw/zinc/09/12/19/334091219.db2.gz ZFCCOOCHAVXJOO-SECBINFHSA-N 2 1 263.288 -0.570 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](OC)[C@@H](OC)C1 ZINC000311451735 334219439 /nfs/dbraw/zinc/21/94/39/334219439.db2.gz JJUWWLAPZBXLDG-RWMBFGLXSA-N 2 1 276.377 -0.729 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000311451735 334219440 /nfs/dbraw/zinc/21/94/40/334219440.db2.gz JJUWWLAPZBXLDG-RWMBFGLXSA-N 2 1 276.377 -0.729 20 0 CBADMP CC[N@@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)NC)[C@@H](C)C1 ZINC000251595704 334365105 /nfs/dbraw/zinc/36/51/05/334365105.db2.gz FQQLVIBPVKWVSW-WDEREUQCSA-N 2 1 263.407 -0.145 20 0 CBADMP CC[N@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)NC)[C@@H](C)C1 ZINC000251595704 334365106 /nfs/dbraw/zinc/36/51/06/334365106.db2.gz FQQLVIBPVKWVSW-WDEREUQCSA-N 2 1 263.407 -0.145 20 0 CBADMP C[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+]1CC(C)C1 ZINC000553198089 334368344 /nfs/dbraw/zinc/36/83/44/334368344.db2.gz QDWYZAQFLVVGNL-DGCLKSJQSA-N 2 1 257.378 -0.245 20 0 CBADMP CCOC[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000566117640 334624834 /nfs/dbraw/zinc/62/48/34/334624834.db2.gz TUOWKVOZLHFLQU-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP COC[C@]1(C(=O)NCCn2cc[nH+]c2C)CC[NH2+]C1 ZINC000311419062 334733816 /nfs/dbraw/zinc/73/38/16/334733816.db2.gz KGWBIGQBSMRHAO-ZDUSSCGKSA-N 2 1 266.345 -0.066 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](C)N1CCC(=O)N1CC[NH+](C)CC1 ZINC000576279632 335181956 /nfs/dbraw/zinc/18/19/56/335181956.db2.gz DYTCZWMHPVXXEW-BETUJISGSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN(C)CCNC(=O)N(C)C ZINC000576289212 335184233 /nfs/dbraw/zinc/18/42/33/335184233.db2.gz YETTWBNVZCJNJB-LLVKDONJSA-N 2 1 260.382 -0.498 20 0 CBADMP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000576449356 335204573 /nfs/dbraw/zinc/20/45/73/335204573.db2.gz XQSHNDJLZQLASF-UPJWGTAASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000576449356 335204574 /nfs/dbraw/zinc/20/45/74/335204574.db2.gz XQSHNDJLZQLASF-UPJWGTAASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000576449356 335204576 /nfs/dbraw/zinc/20/45/76/335204576.db2.gz XQSHNDJLZQLASF-UPJWGTAASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000576449356 335204577 /nfs/dbraw/zinc/20/45/77/335204577.db2.gz XQSHNDJLZQLASF-UPJWGTAASA-N 2 1 269.389 -0.148 20 0 CBADMP C[N@@H+](C[C@H](O)CNC[C@H]1CCC[NH+]1CCCO)C1CC1 ZINC000576585167 335222489 /nfs/dbraw/zinc/22/24/89/335222489.db2.gz RQGZPTVXZGUNJW-HUUCEWRRSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000576585167 335222491 /nfs/dbraw/zinc/22/24/91/335222491.db2.gz RQGZPTVXZGUNJW-HUUCEWRRSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000576585167 335222493 /nfs/dbraw/zinc/22/24/93/335222493.db2.gz RQGZPTVXZGUNJW-HUUCEWRRSA-N 2 1 285.432 -0.122 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000576695125 335235565 /nfs/dbraw/zinc/23/55/65/335235565.db2.gz GKTOXJRNNXENBH-UHFFFAOYSA-N 2 1 296.415 -0.120 20 0 CBADMP C[C@]1(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000576703813 335237381 /nfs/dbraw/zinc/23/73/81/335237381.db2.gz RQYYDXHCSFPXKX-KBPBESRZSA-N 3 1 252.406 -0.035 20 0 CBADMP C[C@]1(CN2CC[C@H](N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000576703813 335237383 /nfs/dbraw/zinc/23/73/83/335237383.db2.gz RQYYDXHCSFPXKX-KBPBESRZSA-N 2 1 252.406 -0.035 20 0 CBADMP O=C(N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000576756662 335244108 /nfs/dbraw/zinc/24/41/08/335244108.db2.gz ORKOZWSGZTYTOM-JMSVASOKSA-N 2 1 292.383 -0.839 20 0 CBADMP COC[C@@]1(CNC(=O)[C@@H]2CSC[NH2+]2)CCC[NH2+]1 ZINC000576876575 335259030 /nfs/dbraw/zinc/25/90/30/335259030.db2.gz SJRFRVBYRSQYII-ONGXEEELSA-N 2 1 259.375 -0.466 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000576947046 335268124 /nfs/dbraw/zinc/26/81/24/335268124.db2.gz HNELDLFEYJXZJC-STQMWFEESA-N 2 1 268.405 -0.038 20 0 CBADMP C[C@H]1C[C@H](NC(=O)CN2CCNCC2=O)CC[N@H+]1C ZINC000580560470 335281024 /nfs/dbraw/zinc/28/10/24/335281024.db2.gz HIYIAFSDOMRKRS-WDEREUQCSA-N 2 1 268.361 -0.983 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000581071354 335300528 /nfs/dbraw/zinc/30/05/28/335300528.db2.gz DKMILAZLVMXGPS-STQMWFEESA-N 2 1 268.405 -0.262 20 0 CBADMP C[NH2+]C[C@@](C)(O)CN1CCC(OCCC[NH3+])CC1 ZINC000577405554 335349321 /nfs/dbraw/zinc/34/93/21/335349321.db2.gz YTYDMOCTFHRZPX-CYBMUJFWSA-N 2 1 259.394 -0.213 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(CC(N)=O)C(C)C ZINC000577699839 335390084 /nfs/dbraw/zinc/39/00/84/335390084.db2.gz QJZMFLXMEYALKZ-LLVKDONJSA-N 2 1 261.366 -0.879 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NCC[NH+](C)C ZINC000577767695 335399307 /nfs/dbraw/zinc/39/93/07/335399307.db2.gz JEUMLMFRLALWCQ-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(=O)NCC[NH+](C)C ZINC000577767695 335399308 /nfs/dbraw/zinc/39/93/08/335399308.db2.gz JEUMLMFRLALWCQ-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]CC2(O)CCOCC2)CC1 ZINC000578127680 335509254 /nfs/dbraw/zinc/50/92/54/335509254.db2.gz KKWMCTJJBGXQAF-UHFFFAOYSA-N 2 1 285.388 -0.718 20 0 CBADMP C[C@H]([NH3+])CCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000193324434 335967430 /nfs/dbraw/zinc/96/74/30/335967430.db2.gz BBAQSFQPTMYUJO-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP CCC[C@@H]1CN(C(=O)COC2C[NH2+]C2)CC[N@H+]1CCOC ZINC000581192829 336022206 /nfs/dbraw/zinc/02/22/06/336022206.db2.gz HRZVRXUTLJIVIW-CYBMUJFWSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(N2CCOCC2)CC1)C1CC1 ZINC000581424938 336074920 /nfs/dbraw/zinc/07/49/20/336074920.db2.gz OXUNJYXOOWGDCR-AWEZNQCLSA-N 2 1 283.416 -0.104 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(N2CCOCC2)CC1)C1CC1 ZINC000581424938 336074921 /nfs/dbraw/zinc/07/49/21/336074921.db2.gz OXUNJYXOOWGDCR-AWEZNQCLSA-N 2 1 283.416 -0.104 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000581478893 336086421 /nfs/dbraw/zinc/08/64/21/336086421.db2.gz WSDKYGQYYLKPTL-RYUDHWBXSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000581538696 336097276 /nfs/dbraw/zinc/09/72/76/336097276.db2.gz ONGABHACFMFRNJ-WXHSDQCUSA-N 2 1 294.399 -0.465 20 0 CBADMP COCCOC[C@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC000384974419 336135318 /nfs/dbraw/zinc/13/53/18/336135318.db2.gz LTKRZJXOOQHXSA-GFCCVEGCSA-N 2 1 257.334 -0.195 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(CO)CCCC1 ZINC000385202766 336142023 /nfs/dbraw/zinc/14/20/23/336142023.db2.gz UQXQZHLYOYANMV-LBPRGKRZSA-N 2 1 260.378 -0.180 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(CO)CCCC1 ZINC000385202766 336142024 /nfs/dbraw/zinc/14/20/24/336142024.db2.gz UQXQZHLYOYANMV-LBPRGKRZSA-N 2 1 260.378 -0.180 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)C1CC1 ZINC000581777854 336145915 /nfs/dbraw/zinc/14/59/15/336145915.db2.gz FXFGIWWZJHHWAG-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP CN1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCC1=O ZINC000386050861 336165601 /nfs/dbraw/zinc/16/56/01/336165601.db2.gz BWHYNPTUQHQMGM-ZYHUDNBSSA-N 2 1 255.362 -0.348 20 0 CBADMP CN1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCC1=O ZINC000386050861 336165603 /nfs/dbraw/zinc/16/56/03/336165603.db2.gz BWHYNPTUQHQMGM-ZYHUDNBSSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000581941560 336173377 /nfs/dbraw/zinc/17/33/77/336173377.db2.gz QVLMMZAENITPPY-CMPLNLGQSA-N 2 1 282.388 -0.417 20 0 CBADMP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC000581998025 336187603 /nfs/dbraw/zinc/18/76/03/336187603.db2.gz PLJUPRHRPXTCTR-HZPDHXFCSA-N 2 1 298.475 -0.084 20 0 CBADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC000581998025 336187605 /nfs/dbraw/zinc/18/76/05/336187605.db2.gz PLJUPRHRPXTCTR-HZPDHXFCSA-N 2 1 298.475 -0.084 20 0 CBADMP C[C@@H](CNC(=O)/C=C/C[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000491861372 533869433 /nfs/dbraw/zinc/86/94/33/533869433.db2.gz AKOPEUXJPNPUKW-GFUIURDCSA-N 2 1 268.405 -0.144 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](CO)C2)CC1 ZINC000157366938 521571844 /nfs/dbraw/zinc/57/18/44/521571844.db2.gz QVJKPDSLQUOTKP-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC(CCNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000157215727 523759487 /nfs/dbraw/zinc/75/94/87/523759487.db2.gz RCVQJXSOAGMYOW-LBPRGKRZSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](C)CC2)C1 ZINC000377959683 527726223 /nfs/dbraw/zinc/72/62/23/527726223.db2.gz QXQWEVOISVMBGS-GFCCVEGCSA-N 2 1 255.362 -0.129 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](C)CC2)C1 ZINC000377959683 527726226 /nfs/dbraw/zinc/72/62/26/527726226.db2.gz QXQWEVOISVMBGS-GFCCVEGCSA-N 2 1 255.362 -0.129 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000377959683 527726242 /nfs/dbraw/zinc/72/62/42/527726242.db2.gz QXQWEVOISVMBGS-GFCCVEGCSA-N 2 1 255.362 -0.129 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000377959683 527726248 /nfs/dbraw/zinc/72/62/48/527726248.db2.gz QXQWEVOISVMBGS-GFCCVEGCSA-N 2 1 255.362 -0.129 20 0 CBADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)C3C[NH2+]C3)CC2)C1 ZINC000378641131 527738936 /nfs/dbraw/zinc/73/89/36/527738936.db2.gz KDOPCHRUCYRRJV-AWEZNQCLSA-N 2 1 296.415 -0.929 20 0 CBADMP CC[N@H+]1CCO[C@H](CN2CCN(C(=O)C3C[NH2+]C3)CC2)C1 ZINC000378641131 527738940 /nfs/dbraw/zinc/73/89/40/527738940.db2.gz KDOPCHRUCYRRJV-AWEZNQCLSA-N 2 1 296.415 -0.929 20 0 CBADMP CCN(CC)C(=O)CN1CC[NH+](CCOCC[NH3+])CC1 ZINC000357084295 535431258 /nfs/dbraw/zinc/43/12/58/535431258.db2.gz ZSVUWRSCUIFEEW-UHFFFAOYSA-N 2 1 286.420 -0.552 20 0 CBADMP CN1C(=O)C(=O)N(C[N@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000103462159 582112942 /nfs/dbraw/zinc/11/29/42/582112942.db2.gz ODHNRHWJKGSDCP-UHFFFAOYSA-N 2 1 282.344 -0.362 20 0 CBADMP CN1C(=O)C(=O)N(C[N@@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000103462159 582112943 /nfs/dbraw/zinc/11/29/43/582112943.db2.gz ODHNRHWJKGSDCP-UHFFFAOYSA-N 2 1 282.344 -0.362 20 0 CBADMP C[NH+](C)CCOCC[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000234256638 582129747 /nfs/dbraw/zinc/12/97/47/582129747.db2.gz RSKNLPHBNMYNHR-UHFFFAOYSA-N 2 1 291.373 -0.405 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300072192 582130304 /nfs/dbraw/zinc/13/03/04/582130304.db2.gz KSPAEKJXLRDOKD-SRVKXCTJSA-N 2 1 271.361 -0.670 20 0 CBADMP COCCN(CC[NH+](C)C)C(=O)CC[NH+]1CCOCC1 ZINC000729438949 582146525 /nfs/dbraw/zinc/14/65/25/582146525.db2.gz PNLWAJWAMLDNRE-UHFFFAOYSA-N 2 1 287.404 -0.255 20 0 CBADMP CCC[N@H+](C)CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000730273846 582149852 /nfs/dbraw/zinc/14/98/52/582149852.db2.gz AJFQDUZDZVASOX-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000730273846 582149853 /nfs/dbraw/zinc/14/98/53/582149853.db2.gz AJFQDUZDZVASOX-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP COCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000730789962 582151382 /nfs/dbraw/zinc/15/13/82/582151382.db2.gz UITOLMSQNDLIAG-CYBMUJFWSA-N 2 1 285.388 -0.454 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000730789962 582151383 /nfs/dbraw/zinc/15/13/83/582151383.db2.gz UITOLMSQNDLIAG-CYBMUJFWSA-N 2 1 285.388 -0.454 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCCC[NH+](C)C ZINC000741302706 582269167 /nfs/dbraw/zinc/26/91/67/582269167.db2.gz VLDFZGTYIOEVMA-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)CC[NH+]1CCOCC1 ZINC000752480474 582295096 /nfs/dbraw/zinc/29/50/96/582295096.db2.gz YKSCIUPQZLRJBV-CYBMUJFWSA-N 2 1 273.377 -0.863 20 0 CBADMP CNC(=O)CCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000753208490 582296523 /nfs/dbraw/zinc/29/65/23/582296523.db2.gz UMDXZMKHOOVJOS-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC000763017575 582318935 /nfs/dbraw/zinc/31/89/35/582318935.db2.gz UEQICFFMZSULHC-LBPRGKRZSA-N 2 1 268.405 -0.167 20 0 CBADMP Cc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)nc(N)[nH+]1 ZINC000777831410 582357809 /nfs/dbraw/zinc/35/78/09/582357809.db2.gz CWGHJGGYSDLHQW-SNVBAGLBSA-N 2 1 251.334 -0.130 20 0 CBADMP C[C@@H](CCO)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000779403377 582361056 /nfs/dbraw/zinc/36/10/56/582361056.db2.gz HACPOJSZBDWMPP-UONOGXRCSA-N 2 1 271.405 -0.247 20 0 CBADMP CNC(=O)CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000779654122 582362280 /nfs/dbraw/zinc/36/22/80/582362280.db2.gz YOHSCTANRAOCPS-SECBINFHSA-N 2 1 258.322 -0.660 20 0 CBADMP CNC(=O)CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000779654122 582362281 /nfs/dbraw/zinc/36/22/81/582362281.db2.gz YOHSCTANRAOCPS-SECBINFHSA-N 2 1 258.322 -0.660 20 0 CBADMP NC(=O)c1c[nH+]ccc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000785803145 582377160 /nfs/dbraw/zinc/37/71/60/582377160.db2.gz XFDHNOHRVHRYIP-WDEREUQCSA-N 2 1 276.340 -0.123 20 0 CBADMP NC(=O)c1c[nH+]ccc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000785803145 582377161 /nfs/dbraw/zinc/37/71/61/582377161.db2.gz XFDHNOHRVHRYIP-WDEREUQCSA-N 2 1 276.340 -0.123 20 0 CBADMP O[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000819078749 582526096 /nfs/dbraw/zinc/52/60/96/582526096.db2.gz YUBNHDQJSXZNBF-LSDHHAIUSA-N 2 1 283.416 -0.247 20 0 CBADMP C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@H]21 ZINC000827309803 582810706 /nfs/dbraw/zinc/81/07/06/582810706.db2.gz HYXKTFJUWQSRSR-XQQFMLRXSA-N 2 1 267.373 -0.130 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@H]21 ZINC000827309803 582810708 /nfs/dbraw/zinc/81/07/08/582810708.db2.gz HYXKTFJUWQSRSR-XQQFMLRXSA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@H]21 ZINC000827309803 582810710 /nfs/dbraw/zinc/81/07/10/582810710.db2.gz HYXKTFJUWQSRSR-XQQFMLRXSA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@H]21 ZINC000827309803 582810714 /nfs/dbraw/zinc/81/07/14/582810714.db2.gz HYXKTFJUWQSRSR-XQQFMLRXSA-N 2 1 267.373 -0.130 20 0 CBADMP CC1(C(N)=O)C[NH+](C/C=C\C[NH+]2CC(C)(C(N)=O)C2)C1 ZINC000829069563 582882309 /nfs/dbraw/zinc/88/23/09/582882309.db2.gz CFPIGUHVMDHYGN-ARJAWSKDSA-N 2 1 280.372 -0.843 20 0 CBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484711 582888106 /nfs/dbraw/zinc/88/81/06/582888106.db2.gz WLBLZKKAZCCXTA-SWLSCSKDSA-N 2 1 298.406 -0.027 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484711 582888107 /nfs/dbraw/zinc/88/81/07/582888107.db2.gz WLBLZKKAZCCXTA-SWLSCSKDSA-N 2 1 298.406 -0.027 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000830134287 582921352 /nfs/dbraw/zinc/92/13/52/582921352.db2.gz COZKIEBPSBKVIY-MPZDIEGVSA-N 2 1 294.399 -0.737 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000830134287 582921354 /nfs/dbraw/zinc/92/13/54/582921354.db2.gz COZKIEBPSBKVIY-MPZDIEGVSA-N 2 1 294.399 -0.737 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000830134287 582921356 /nfs/dbraw/zinc/92/13/56/582921356.db2.gz COZKIEBPSBKVIY-MPZDIEGVSA-N 2 1 294.399 -0.737 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC000830140454 582922232 /nfs/dbraw/zinc/92/22/32/582922232.db2.gz DNBJDRRPHBJFRQ-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCCCCCC[NH3+])C1 ZINC000831274351 582973750 /nfs/dbraw/zinc/97/37/50/582973750.db2.gz ITHGMUQWXMGECV-CYBMUJFWSA-N 2 1 272.393 -0.129 20 0 CBADMP CCO[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)C[NH+](C)C ZINC000831746549 583000596 /nfs/dbraw/zinc/00/05/96/583000596.db2.gz YJFBWJVTKCRBSH-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP CCO[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C[NH+](C)C ZINC000831746549 583000598 /nfs/dbraw/zinc/00/05/98/583000598.db2.gz YJFBWJVTKCRBSH-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000831970730 583008888 /nfs/dbraw/zinc/00/88/88/583008888.db2.gz KUCXUNRHVAACBF-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831971337 583009395 /nfs/dbraw/zinc/00/93/95/583009395.db2.gz VJMODBRMISEUCI-WDEREUQCSA-N 2 1 271.361 -0.133 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@@H]1CCCC[NH2+]1)c1cnn(C)c1 ZINC000832458119 583026306 /nfs/dbraw/zinc/02/63/06/583026306.db2.gz CKZSTSKUGIEEGE-RYUDHWBXSA-N 2 1 265.361 -0.061 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N[C@H]1CCC[NH2+]C1 ZINC000841790756 583174609 /nfs/dbraw/zinc/17/46/09/583174609.db2.gz JDIBMNFFJJBZMD-AVGNSLFASA-N 2 1 282.388 -0.099 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000841981929 583177425 /nfs/dbraw/zinc/17/74/25/583177425.db2.gz HPVDVCSVTZIWPI-JTQLQIEISA-N 2 1 258.366 -0.568 20 0 CBADMP [NH3+]CCCCCCC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000842476757 583184250 /nfs/dbraw/zinc/18/42/50/583184250.db2.gz UZPNRLSHRYTBKI-LBPRGKRZSA-N 2 1 282.388 -0.462 20 0 CBADMP CON(C)C(=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000843062020 583198982 /nfs/dbraw/zinc/19/89/82/583198982.db2.gz KNHPRBZKALUXKO-NSHDSACASA-N 2 1 259.350 -0.557 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)c1cc(OC)ccc1OC ZINC000843082101 583200683 /nfs/dbraw/zinc/20/06/83/583200683.db2.gz XZIGTCYPTFGMHS-MFKMUULPSA-N 2 1 284.356 -0.093 20 0 CBADMP C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000843364792 583212488 /nfs/dbraw/zinc/21/24/88/583212488.db2.gz SQBRAHLANVZGKE-UHFFFAOYSA-N 3 1 252.406 -0.033 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000844167594 583255557 /nfs/dbraw/zinc/25/55/57/583255557.db2.gz LCCNACTYHHZXTK-GFCCVEGCSA-N 2 1 255.362 -0.096 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000844170456 583256372 /nfs/dbraw/zinc/25/63/72/583256372.db2.gz NHACAWKMZPVHBA-CYBMUJFWSA-N 2 1 286.351 -0.985 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844170949 583256400 /nfs/dbraw/zinc/25/64/00/583256400.db2.gz OCLZFJLSQLSWJL-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000844171946 583256732 /nfs/dbraw/zinc/25/67/32/583256732.db2.gz PVJJXDWWXGDPMN-LBPRGKRZSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844174874 583257223 /nfs/dbraw/zinc/25/72/23/583257223.db2.gz HBLKCPZDLDESBX-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[NH2+]CC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000844178057 583257299 /nfs/dbraw/zinc/25/72/99/583257299.db2.gz SXMIQZGVGRYUNC-UHFFFAOYSA-N 2 1 270.421 -0.014 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844178952 583257779 /nfs/dbraw/zinc/25/77/79/583257779.db2.gz AGZJGEMWSOVBBN-SJHCENCUSA-N 2 1 265.357 -0.284 20 0 CBADMP CC[NH2+]CC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000844180648 583258337 /nfs/dbraw/zinc/25/83/37/583258337.db2.gz JEGNELUMXMJNRN-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844182475 583258829 /nfs/dbraw/zinc/25/88/29/583258829.db2.gz GFYFADISQGTBBR-STQMWFEESA-N 2 1 285.388 -0.408 20 0 CBADMP CC[NH2+]CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000844183182 583258978 /nfs/dbraw/zinc/25/89/78/583258978.db2.gz VQJQNFFWOGBJQB-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)N(CC[NH3+])CCO ZINC000846180109 583355010 /nfs/dbraw/zinc/35/50/10/583355010.db2.gz RYKGVGGZLZIMHA-UHFFFAOYSA-N 2 1 274.409 -0.073 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000846674301 583382245 /nfs/dbraw/zinc/38/22/45/583382245.db2.gz WMDKFOBSWDPUCV-NXEZZACHSA-N 2 1 277.315 -0.050 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000846674301 583382248 /nfs/dbraw/zinc/38/22/48/583382248.db2.gz WMDKFOBSWDPUCV-NXEZZACHSA-N 2 1 277.315 -0.050 20 0 CBADMP [NH2+]=C(NCCCn1cncn1)NCCC[NH+]1CCOCC1 ZINC000848984853 583464039 /nfs/dbraw/zinc/46/40/39/583464039.db2.gz LHONYTNTRBNNOL-UHFFFAOYSA-N 2 1 295.391 -0.496 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)NC ZINC000848993499 583465063 /nfs/dbraw/zinc/46/50/63/583465063.db2.gz AQOOGZUEEGEHLU-JTQLQIEISA-N 2 1 255.366 -0.279 20 0 CBADMP C[C@@H](CNC1=[NH+]CCN1C)CN1CC[NH+](C)CC1 ZINC000848994290 583465453 /nfs/dbraw/zinc/46/54/53/583465453.db2.gz BEASQCMAMDFVQK-LBPRGKRZSA-N 2 1 253.394 -0.239 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1COCCO1 ZINC000848994685 583465476 /nfs/dbraw/zinc/46/54/76/583465476.db2.gz PTTKKIDOZUYMST-LBPRGKRZSA-N 2 1 286.376 -0.762 20 0 CBADMP C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)[NH+](C)C ZINC000848996516 583465515 /nfs/dbraw/zinc/46/55/15/583465515.db2.gz AIUDVVHVWVBVEN-LBPRGKRZSA-N 2 1 271.409 -0.227 20 0 CBADMP CCNC(=[NH2+])NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000849000430 583465785 /nfs/dbraw/zinc/46/57/85/583465785.db2.gz SSTWWABIQIJPSR-SNVBAGLBSA-N 2 1 255.366 -0.292 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=[NH2+])N2CCC2)C1 ZINC000848999954 583465910 /nfs/dbraw/zinc/46/59/10/583465910.db2.gz CGQOOUWFURMRIO-LLVKDONJSA-N 2 1 267.377 -0.196 20 0 CBADMP CN(C)C(=[NH2+])NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000848999943 583466041 /nfs/dbraw/zinc/46/60/41/583466041.db2.gz BYEVPZAAHYCDRK-JTQLQIEISA-N 2 1 255.366 -0.340 20 0 CBADMP COC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000849000525 583466415 /nfs/dbraw/zinc/46/64/15/583466415.db2.gz YWNMZYPRHUJWMW-VXGBXAGGSA-N 2 1 299.419 -0.277 20 0 CBADMP COC[C@H](C)NC(=[NH2+])NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000849000524 583466452 /nfs/dbraw/zinc/46/64/52/583466452.db2.gz YWNMZYPRHUJWMW-RYUDHWBXSA-N 2 1 299.419 -0.277 20 0 CBADMP COC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000849021009 583468871 /nfs/dbraw/zinc/46/88/71/583468871.db2.gz FWRJVTNVYYIIIP-LLVKDONJSA-N 2 1 258.366 -0.142 20 0 CBADMP COC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000849021009 583468873 /nfs/dbraw/zinc/46/88/73/583468873.db2.gz FWRJVTNVYYIIIP-LLVKDONJSA-N 2 1 258.366 -0.142 20 0 CBADMP CN(CCC[NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000851657292 583518243 /nfs/dbraw/zinc/51/82/43/583518243.db2.gz WOQGUCJMNWNSRM-VXGBXAGGSA-N 2 1 270.377 -0.160 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)N(CC[NH3+])CCO)C1 ZINC000851676316 583519918 /nfs/dbraw/zinc/51/99/18/583519918.db2.gz HVPJIMHALAHJJT-LLVKDONJSA-N 2 1 258.366 -0.567 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000851690497 583522133 /nfs/dbraw/zinc/52/21/33/583522133.db2.gz DIIGWCSVBSDQGS-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1COCCO1 ZINC000852496502 583547602 /nfs/dbraw/zinc/54/76/02/583547602.db2.gz RIIAYVYWFILJHA-CQSZACIVSA-N 2 1 271.405 -0.029 20 0 CBADMP CON(C)C(=O)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852708327 583550858 /nfs/dbraw/zinc/55/08/58/583550858.db2.gz XGZRZYUSWVYHCO-ZDUSSCGKSA-N 2 1 285.388 -0.073 20 0 CBADMP CON(C)C(=O)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852708327 583550860 /nfs/dbraw/zinc/55/08/60/583550860.db2.gz XGZRZYUSWVYHCO-ZDUSSCGKSA-N 2 1 285.388 -0.073 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000852823970 583556252 /nfs/dbraw/zinc/55/62/52/583556252.db2.gz NHGOKBXSXABNPA-JTQLQIEISA-N 2 1 266.349 -0.549 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000852823971 583556381 /nfs/dbraw/zinc/55/63/81/583556381.db2.gz NHGOKBXSXABNPA-SNVBAGLBSA-N 2 1 266.349 -0.549 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000852842252 583559377 /nfs/dbraw/zinc/55/93/77/583559377.db2.gz UAFLJNZNFZIWEE-UHFFFAOYSA-N 2 1 251.334 -0.135 20 0 CBADMP [NH3+]C[C@H]1CC(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)=NO1 ZINC000852854484 583561171 /nfs/dbraw/zinc/56/11/71/583561171.db2.gz HYPVGVZUUVGNMJ-NWDGAFQWSA-N 2 1 296.371 -0.587 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852853956 583561208 /nfs/dbraw/zinc/56/12/08/583561208.db2.gz AHMOVTNCUPRPOI-VHSXEESVSA-N 2 1 254.334 -0.310 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852859393 583562189 /nfs/dbraw/zinc/56/21/89/583562189.db2.gz SGPCWOUUUSEYJP-MNOVXSKESA-N 2 1 268.361 -0.062 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)=NO1 ZINC000852860606 583562488 /nfs/dbraw/zinc/56/24/88/583562488.db2.gz SRGWYTPRRDLZSY-NHCYSSNCSA-N 2 1 266.345 -0.167 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852864142 583563684 /nfs/dbraw/zinc/56/36/84/583563684.db2.gz XHBQVCFUPJGIET-ZJUUUORDSA-N 2 1 254.334 -0.452 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000852864297 583563730 /nfs/dbraw/zinc/56/37/30/583563730.db2.gz RJOGELXTWSXJRT-RNJOBUHISA-N 2 1 283.372 -0.670 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000852872794 583565465 /nfs/dbraw/zinc/56/54/65/583565465.db2.gz RFZAMCYSNKKKJG-YWVKMMECSA-N 2 1 266.345 -0.169 20 0 CBADMP [NH3+]C[C@H]1CC(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)=NO1 ZINC000852877974 583566492 /nfs/dbraw/zinc/56/64/92/583566492.db2.gz KQCHQMVKKBHNPY-YPMHNXCESA-N 2 1 289.339 -0.342 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852883626 583567786 /nfs/dbraw/zinc/56/77/86/583567786.db2.gz LVXUXZHZGJYPNR-NSHDSACASA-N 2 1 284.360 -0.729 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852884888 583568450 /nfs/dbraw/zinc/56/84/50/583568450.db2.gz PTJLBMKANLVDQB-JFGNBEQYSA-N 2 1 268.361 -0.111 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)=NO1 ZINC000852889899 583569656 /nfs/dbraw/zinc/56/96/56/583569656.db2.gz GPSBUJCRZWNQJT-WCQYABFASA-N 2 1 289.339 -0.342 20 0 CBADMP [NH3+]C[C@H]1CC(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)=NO1 ZINC000852889901 583569737 /nfs/dbraw/zinc/56/97/37/583569737.db2.gz GPSBUJCRZWNQJT-YPMHNXCESA-N 2 1 289.339 -0.342 20 0 CBADMP O=C(C=C1CC[NH2+]CC1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000852914071 583574039 /nfs/dbraw/zinc/57/40/39/583574039.db2.gz MABBAXQHQGCMIF-CQSZACIVSA-N 2 1 278.400 -0.198 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@]1(F)CC[NH2+]C1 ZINC000852914477 583574068 /nfs/dbraw/zinc/57/40/68/583574068.db2.gz XWGVIXUPCJXRBI-WCQYABFASA-N 2 1 270.352 -0.806 20 0 CBADMP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000852913675 583574109 /nfs/dbraw/zinc/57/41/09/583574109.db2.gz CJTHCXFOJAFWLS-UONOGXRCSA-N 2 1 296.415 -0.739 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000857102605 583664399 /nfs/dbraw/zinc/66/43/99/583664399.db2.gz FARUIEBEWQRNTI-STQMWFEESA-N 2 1 285.436 -0.094 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000857109514 583665174 /nfs/dbraw/zinc/66/51/74/583665174.db2.gz MOZSVORDASHXSF-NWDGAFQWSA-N 2 1 272.393 -0.130 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000857109747 583665257 /nfs/dbraw/zinc/66/52/57/583665257.db2.gz NJYXUWRWIUABEF-NWDGAFQWSA-N 2 1 272.393 -0.130 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000857110802 583665632 /nfs/dbraw/zinc/66/56/32/583665632.db2.gz YBAPKMFGTWUVKT-SDDRHHMPSA-N 2 1 272.393 -0.180 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC([NH+](C)C)C2)C1 ZINC000857230938 583667928 /nfs/dbraw/zinc/66/79/28/583667928.db2.gz OYWAYXKIFZKNIU-MCIGGMRASA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC([NH+](C)C)C2)C1 ZINC000857230938 583667930 /nfs/dbraw/zinc/66/79/30/583667930.db2.gz OYWAYXKIFZKNIU-MCIGGMRASA-N 2 1 255.362 -0.084 20 0 CBADMP O=C1OC[C@H]2C[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@@H]12 ZINC000860158587 583739735 /nfs/dbraw/zinc/73/97/35/583739735.db2.gz PHXIEEPQLKVZBT-GRYCIOLGSA-N 2 1 254.330 -0.452 20 0 CBADMP O=C1OC[C@H]2C[N@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@@H]12 ZINC000860158587 583739738 /nfs/dbraw/zinc/73/97/38/583739738.db2.gz PHXIEEPQLKVZBT-GRYCIOLGSA-N 2 1 254.330 -0.452 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861557433 583770613 /nfs/dbraw/zinc/77/06/13/583770613.db2.gz YLFFMMCAMOXLBA-NSHDSACASA-N 2 1 260.382 -0.057 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H]1CC[NH2+]C1 ZINC000861573247 583771329 /nfs/dbraw/zinc/77/13/29/583771329.db2.gz CRAMTENYEWFRCZ-IJLUTSLNSA-N 2 1 268.361 -0.489 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861749364 583783726 /nfs/dbraw/zinc/78/37/26/583783726.db2.gz WHJUOEDMZSBJBD-JTQLQIEISA-N 2 1 281.360 -0.497 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000861769754 583785394 /nfs/dbraw/zinc/78/53/94/583785394.db2.gz CFNGMDZYJORVQI-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000861769755 583785412 /nfs/dbraw/zinc/78/54/12/583785412.db2.gz CFNGMDZYJORVQI-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP CCNC(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550095 583846289 /nfs/dbraw/zinc/84/62/89/583846289.db2.gz YUDDTDACHMJGCZ-NEPJUHHUSA-N 2 1 296.371 -0.621 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863761269 583854262 /nfs/dbraw/zinc/85/42/62/583854262.db2.gz VXQBNIHAYWQFHP-RYUDHWBXSA-N 2 1 284.404 -0.409 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863761269 583854263 /nfs/dbraw/zinc/85/42/63/583854263.db2.gz VXQBNIHAYWQFHP-RYUDHWBXSA-N 2 1 284.404 -0.409 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863764700 583854668 /nfs/dbraw/zinc/85/46/68/583854668.db2.gz VUSJHBPYJIXXIH-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863764703 583854949 /nfs/dbraw/zinc/85/49/49/583854949.db2.gz VUSJHBPYJIXXIH-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000863769561 583855646 /nfs/dbraw/zinc/85/56/46/583855646.db2.gz LFZYVCFOQDYKGD-GHMZBOCLSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000863769563 583855671 /nfs/dbraw/zinc/85/56/71/583855671.db2.gz LFZYVCFOQDYKGD-QWRGUYRKSA-N 2 1 270.377 -0.655 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863773985 583855877 /nfs/dbraw/zinc/85/58/77/583855877.db2.gz NKQPAQOROGHQFZ-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000863774103 583856017 /nfs/dbraw/zinc/85/60/17/583856017.db2.gz PMIUBWUBZQYIOK-DOMZBBRYSA-N 2 1 296.415 -0.264 20 0 CBADMP Cn1nnnc1CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000866667614 583926557 /nfs/dbraw/zinc/92/65/57/583926557.db2.gz SJBDCPWRAWZZFG-JQWIXIFHSA-N 2 1 250.350 -0.187 20 0 CBADMP C[N@@H+](CCc1ccc(C(N)=O)cc1)C[C@@H](O)C[NH3+] ZINC000866666975 583926583 /nfs/dbraw/zinc/92/65/83/583926583.db2.gz YDWWMXGANZHHKA-LBPRGKRZSA-N 2 1 251.330 -0.421 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712156 583928080 /nfs/dbraw/zinc/92/80/80/583928080.db2.gz RHKAXBUTWXGDDG-KKOKHZNYSA-N 2 1 296.371 -0.670 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712156 583928081 /nfs/dbraw/zinc/92/80/81/583928081.db2.gz RHKAXBUTWXGDDG-KKOKHZNYSA-N 2 1 296.371 -0.670 20 0 CBADMP COC(=O)CCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712765 583928311 /nfs/dbraw/zinc/92/83/11/583928311.db2.gz WOTCVSPTRZWOPM-TUAOUCFPSA-N 2 1 297.355 -0.194 20 0 CBADMP COC[C@H](C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714120 583928317 /nfs/dbraw/zinc/92/83/17/583928317.db2.gz GSBMBKKKSVJEMM-QCNOEVLYSA-N 2 1 269.345 -0.112 20 0 CBADMP CN1CC[C@H]([N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866712503 583928405 /nfs/dbraw/zinc/92/84/05/583928405.db2.gz UWJVNZFGPACFFK-KXNHARMFSA-N 2 1 294.355 -0.916 20 0 CBADMP CN1CC[C@H]([N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866712503 583928407 /nfs/dbraw/zinc/92/84/07/583928407.db2.gz UWJVNZFGPACFFK-KXNHARMFSA-N 2 1 294.355 -0.916 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC[C@H]21 ZINC000868386795 583976650 /nfs/dbraw/zinc/97/66/50/583976650.db2.gz JDDUBWURVFHSTM-JHJVBQTASA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC[C@@H]21 ZINC000868388375 583976847 /nfs/dbraw/zinc/97/68/47/583976847.db2.gz STBBUPSZFJWYFR-UPJWGTAASA-N 2 1 294.399 -0.511 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868390621 583977093 /nfs/dbraw/zinc/97/70/93/583977093.db2.gz NWIBLFYAZFOZNM-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868390992 583977123 /nfs/dbraw/zinc/97/71/23/583977123.db2.gz RLNWYNRRZCWTOR-IJLUTSLNSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868390994 583977161 /nfs/dbraw/zinc/97/71/61/583977161.db2.gz RLNWYNRRZCWTOR-WOPDTQHZSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868396190 583977258 /nfs/dbraw/zinc/97/72/58/583977258.db2.gz ILODLKNNKDVRPC-TUAOUCFPSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868402747 583977502 /nfs/dbraw/zinc/97/75/02/583977502.db2.gz SHUKQJNQCPMCSW-NDBYEHHHSA-N 2 1 294.399 -0.513 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000868405081 583977762 /nfs/dbraw/zinc/97/77/62/583977762.db2.gz GZHXZRBUHQKOFV-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000868405764 583978024 /nfs/dbraw/zinc/97/80/24/583978024.db2.gz KEQYOOATLTZUOS-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CCC1(C)C ZINC000868407608 583978255 /nfs/dbraw/zinc/97/82/55/583978255.db2.gz YRUVPIHFSYRASN-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870884461 584020519 /nfs/dbraw/zinc/02/05/19/584020519.db2.gz XPGFRECRBPKWNZ-UHXUPSOCSA-N 2 1 267.373 -0.049 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870884460 584020530 /nfs/dbraw/zinc/02/05/30/584020530.db2.gz XPGFRECRBPKWNZ-CZXHOFHRSA-N 2 1 267.373 -0.049 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)CC[C@@H]21 ZINC000870981049 584023939 /nfs/dbraw/zinc/02/39/39/584023939.db2.gz FLVJNHFFZJPMDC-UPJWGTAASA-N 2 1 267.373 -0.083 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870982266 584023981 /nfs/dbraw/zinc/02/39/81/584023981.db2.gz MEFJBTJPWXUSOH-GRYCIOLGSA-N 2 1 255.362 -0.097 20 0 CBADMP COCCN(C)C(=[NH2+])NC[C@H]1CCC[N@H+]1CCCO ZINC000871607001 584043683 /nfs/dbraw/zinc/04/36/83/584043683.db2.gz UTERHBPJBDCWTP-GFCCVEGCSA-N 2 1 272.393 -0.064 20 0 CBADMP Cn1nnnc1CC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872149853 584048282 /nfs/dbraw/zinc/04/82/82/584048282.db2.gz RGUAHNWDDXOIGM-JGVFFNPUSA-N 2 1 278.282 -0.178 20 0 CBADMP Cn1nnnc1CC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872149853 584048284 /nfs/dbraw/zinc/04/82/84/584048284.db2.gz RGUAHNWDDXOIGM-JGVFFNPUSA-N 2 1 278.282 -0.178 20 0 CBADMP CC(C)(O)C[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000872198894 584049681 /nfs/dbraw/zinc/04/96/81/584049681.db2.gz BVSFSZGJRMOGHF-AGIUHOORSA-N 2 1 272.389 -0.039 20 0 CBADMP CC(C)(O)C[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000872198894 584049684 /nfs/dbraw/zinc/04/96/84/584049684.db2.gz BVSFSZGJRMOGHF-AGIUHOORSA-N 2 1 272.389 -0.039 20 0 CBADMP CC(C)(O)C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000872213635 584050381 /nfs/dbraw/zinc/05/03/81/584050381.db2.gz VFKUWCQKAPOJCA-NWDGAFQWSA-N 2 1 260.378 -0.445 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)CS(N)(=O)=O)C1CC1 ZINC000872234241 584052100 /nfs/dbraw/zinc/05/21/00/584052100.db2.gz MOTCASNTZMAYEF-NSHDSACASA-N 2 1 293.433 -0.654 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)CS(N)(=O)=O)C1CC1 ZINC000872234241 584052101 /nfs/dbraw/zinc/05/21/01/584052101.db2.gz MOTCASNTZMAYEF-NSHDSACASA-N 2 1 293.433 -0.654 20 0 CBADMP 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 584068871 /nfs/dbraw/zinc/06/88/71/584068871.db2.gz FLQZWWNPTHDPDI-KKOKHZNYSA-N 2 1 265.357 -0.079 20 0 CBADMP 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 584068993 /nfs/dbraw/zinc/06/89/93/584068993.db2.gz FLQZWWNPTHDPDI-WHOHXGKFSA-N 2 1 265.357 -0.079 20 0 CBADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000873229422 584068999 /nfs/dbraw/zinc/06/89/99/584068999.db2.gz YITNBSXUZAUDRD-KCQAQPDRSA-N 3 1 280.416 -0.275 20 0 CBADMP CC[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)[C@@H]1CCC[NH2+]1 ZINC000873266505 584069720 /nfs/dbraw/zinc/06/97/20/584069720.db2.gz OATPMPTYWUPIHZ-KCQAQPDRSA-N 2 1 297.399 -0.266 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[NH+](C)C ZINC000874253195 584079162 /nfs/dbraw/zinc/07/91/62/584079162.db2.gz KEBYRPAEYRPZQV-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP COC[C@]1(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C[NH2+]CCO1 ZINC000876726844 584141294 /nfs/dbraw/zinc/14/12/94/584141294.db2.gz ALBGRVUAJGCLKU-YDHLFZDLSA-N 2 1 297.399 -0.266 20 0 CBADMP COC[C@@]1(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C[NH2+]CCO1 ZINC000876728468 584141364 /nfs/dbraw/zinc/14/13/64/584141364.db2.gz MXIBHFBAAFSYRV-UKRRQHHQSA-N 2 1 299.415 -0.208 20 0 CBADMP COC[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[NH2+]CCO1 ZINC000876726842 584141376 /nfs/dbraw/zinc/14/13/76/584141376.db2.gz ALBGRVUAJGCLKU-IPYPFGDCSA-N 2 1 297.399 -0.266 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876729200 584141394 /nfs/dbraw/zinc/14/13/94/584141394.db2.gz HELZQVFWDMGTNP-JQWIXIFHSA-N 2 1 267.377 -0.167 20 0 CBADMP COC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876726849 584141413 /nfs/dbraw/zinc/14/14/13/584141413.db2.gz ANAGZAKTVWYVQV-SWLSCSKDSA-N 2 1 297.399 -0.408 20 0 CBADMP COC[C@]1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876726847 584141440 /nfs/dbraw/zinc/14/14/40/584141440.db2.gz ANAGZAKTVWYVQV-DOMZBBRYSA-N 2 1 297.399 -0.408 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876751284 584142522 /nfs/dbraw/zinc/14/25/22/584142522.db2.gz OIRHNYCOUCWYBG-UKRRQHHQSA-N 2 1 299.415 -0.018 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876754150 584142868 /nfs/dbraw/zinc/14/28/68/584142868.db2.gz CBDRGYSGLBQMBL-SDDRHHMPSA-N 2 1 273.352 -0.229 20 0 CBADMP COC[C@@]1(C(=O)N2CC[NH+](C3CCC3)CC2)C[NH2+]CCO1 ZINC000876765632 584143075 /nfs/dbraw/zinc/14/30/75/584143075.db2.gz VBVKRCAVSOHMDW-OAHLLOKOSA-N 2 1 297.399 -0.312 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876770290 584143653 /nfs/dbraw/zinc/14/36/53/584143653.db2.gz BXHQGEKBGLENQG-UWVGGRQHSA-N 2 1 279.331 -0.089 20 0 CBADMP COC[C@]1(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH2+]CCO1 ZINC000876772853 584144027 /nfs/dbraw/zinc/14/40/27/584144027.db2.gz SMCNNMQYGIUJML-NFAWXSAZSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C[N@H+]1C1CC1 ZINC000876779608 584144217 /nfs/dbraw/zinc/14/42/17/584144217.db2.gz AAYWCFINLRDBQS-UMNHJUIQSA-N 2 1 254.378 -0.383 20 0 CBADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000876784121 584144517 /nfs/dbraw/zinc/14/45/17/584144517.db2.gz XVQYRJQPLLBCQG-SNSPGFKJSA-N 2 1 280.416 -0.240 20 0 CBADMP COC[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]CCO1 ZINC000876885068 584153096 /nfs/dbraw/zinc/15/30/96/584153096.db2.gz UDTSZYHUZSRJHL-VNHYZAJKSA-N 2 1 297.399 -0.314 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876886638 584153380 /nfs/dbraw/zinc/15/33/80/584153380.db2.gz WKVSODWJNFCXAH-RYUDHWBXSA-N 2 1 256.394 -0.326 20 0 CBADMP O=C(NCC[N@@H+]1CCCOCC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876891140 584153587 /nfs/dbraw/zinc/15/35/87/584153587.db2.gz RCMPDZYBGWGPIM-RYUDHWBXSA-N 2 1 273.352 -0.228 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876891140 584153588 /nfs/dbraw/zinc/15/35/88/584153588.db2.gz RCMPDZYBGWGPIM-RYUDHWBXSA-N 2 1 273.352 -0.228 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000876913509 584154876 /nfs/dbraw/zinc/15/48/76/584154876.db2.gz HBKFEPHVSJVYDU-RUXDESIVSA-N 2 1 297.447 -0.792 20 0 CBADMP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CNCCO2)C[C@H]1C[NH+](C)C ZINC000877143521 584168070 /nfs/dbraw/zinc/16/80/70/584168070.db2.gz QNEMDHDJRKUMJW-MGPQQGTHSA-N 2 1 298.431 -0.827 20 0 CBADMP COC[C@@]1(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)C[NH2+]CCO1 ZINC000877206593 584170646 /nfs/dbraw/zinc/17/06/46/584170646.db2.gz MLOXTZZKXXGBSC-OAHLLOKOSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)CN3CC[NH2+]CC3)CC[C@H]21 ZINC000877248578 584172320 /nfs/dbraw/zinc/17/23/20/584172320.db2.gz BQXAYBQIZHPFBV-QWHCGFSZSA-N 2 1 266.389 -0.556 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)CC[C@H]21 ZINC000877248576 584172342 /nfs/dbraw/zinc/17/23/42/584172342.db2.gz BQXAYBQIZHPFBV-CHWSQXEVSA-N 2 1 266.389 -0.556 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877250630 584172572 /nfs/dbraw/zinc/17/25/72/584172572.db2.gz QYSOXRZCVICPAW-SCRDCRAPSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)N1CC[NH+](C)CC1 ZINC000877277176 584175470 /nfs/dbraw/zinc/17/54/70/584175470.db2.gz KQIUDPUDNHJJTO-MGPQQGTHSA-N 2 1 280.416 -0.025 20 0 CBADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CSC[NH2+]1 ZINC000877331929 584178816 /nfs/dbraw/zinc/17/88/16/584178816.db2.gz SUIVFRTXVXYHTF-WDEREUQCSA-N 2 1 285.413 -0.076 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2CC(N)=O)CC1 ZINC000878053171 584191656 /nfs/dbraw/zinc/19/16/56/584191656.db2.gz VSOGVEPDOBBFRN-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP CNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878093167 584192293 /nfs/dbraw/zinc/19/22/93/584192293.db2.gz CIOADSPKEXZMFP-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](OCCO)C2)CC1 ZINC000878109601 584193441 /nfs/dbraw/zinc/19/34/41/584193441.db2.gz TVBHAPPPLLDJNR-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](OCCO)C2)CC1 ZINC000878109601 584193443 /nfs/dbraw/zinc/19/34/43/584193443.db2.gz TVBHAPPPLLDJNR-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+](CCCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000878150487 584194164 /nfs/dbraw/zinc/19/41/64/584194164.db2.gz FBQMGZFTXLIVRK-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP c1nnnn1CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000878191569 584196022 /nfs/dbraw/zinc/19/60/22/584196022.db2.gz ROGAQOQTJWMNAH-UHFFFAOYSA-N 2 1 259.317 -0.110 20 0 CBADMP C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878319502 584199416 /nfs/dbraw/zinc/19/94/16/584199416.db2.gz UPKWTIQSICANMA-PWSUYJOCSA-N 2 1 255.362 -0.348 20 0 CBADMP COCCO[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878478061 584205057 /nfs/dbraw/zinc/20/50/57/584205057.db2.gz ZYUNFOBQWFSXDK-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCO[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878478061 584205060 /nfs/dbraw/zinc/20/50/60/584205060.db2.gz ZYUNFOBQWFSXDK-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000878482641 584205327 /nfs/dbraw/zinc/20/53/27/584205327.db2.gz VPVHFZNDEBKDCE-SMDDNHRTSA-N 2 1 267.373 -0.489 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000878482641 584205328 /nfs/dbraw/zinc/20/53/28/584205328.db2.gz VPVHFZNDEBKDCE-SMDDNHRTSA-N 2 1 267.373 -0.489 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC000878482640 584205358 /nfs/dbraw/zinc/20/53/58/584205358.db2.gz VPVHFZNDEBKDCE-RISCZKNCSA-N 2 1 267.373 -0.489 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC000878482640 584205362 /nfs/dbraw/zinc/20/53/62/584205362.db2.gz VPVHFZNDEBKDCE-RISCZKNCSA-N 2 1 267.373 -0.489 20 0 CBADMP CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H](C)CO ZINC000878654128 584212101 /nfs/dbraw/zinc/21/21/01/584212101.db2.gz NVQLUSIXXONDPD-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+]1CCC2(CC1)C[N@H+](CCn1cnnn1)CCO2 ZINC000878768304 584216738 /nfs/dbraw/zinc/21/67/38/584216738.db2.gz FSYMKNGYIRAPQF-UHFFFAOYSA-N 2 1 266.349 -0.530 20 0 CBADMP C[NH+]1CCC2(CC1)C[N@@H+](CCn1cnnn1)CCO2 ZINC000878768304 584216739 /nfs/dbraw/zinc/21/67/39/584216739.db2.gz FSYMKNGYIRAPQF-UHFFFAOYSA-N 2 1 266.349 -0.530 20 0 CBADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H]1COCCO1 ZINC000878935266 584220955 /nfs/dbraw/zinc/22/09/55/584220955.db2.gz GUHQIXLTJWBIAP-CYBMUJFWSA-N 2 1 285.388 -0.456 20 0 CBADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H]1COCCO1 ZINC000878935266 584220956 /nfs/dbraw/zinc/22/09/56/584220956.db2.gz GUHQIXLTJWBIAP-CYBMUJFWSA-N 2 1 285.388 -0.456 20 0 CBADMP CO[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@](C)(CO)C1 ZINC000879261447 584230966 /nfs/dbraw/zinc/23/09/66/584230966.db2.gz KMRDAZHRJZEZAT-DZGCQCFKSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](CO)[C@H]2CO)CC1 ZINC000879364977 584233830 /nfs/dbraw/zinc/23/38/30/584233830.db2.gz ZZRONPKOGJCSIR-UONOGXRCSA-N 2 1 299.415 -0.784 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](CO)[C@H]2CO)CC1 ZINC000879364977 584233833 /nfs/dbraw/zinc/23/38/33/584233833.db2.gz ZZRONPKOGJCSIR-UONOGXRCSA-N 2 1 299.415 -0.784 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570997 584240870 /nfs/dbraw/zinc/24/08/70/584240870.db2.gz LBVHPACNYURCNZ-QWRGUYRKSA-N 2 1 268.361 -0.142 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570997 584240872 /nfs/dbraw/zinc/24/08/72/584240872.db2.gz LBVHPACNYURCNZ-QWRGUYRKSA-N 2 1 268.361 -0.142 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879570997 584240873 /nfs/dbraw/zinc/24/08/73/584240873.db2.gz LBVHPACNYURCNZ-QWRGUYRKSA-N 2 1 268.361 -0.142 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879570997 584240875 /nfs/dbraw/zinc/24/08/75/584240875.db2.gz LBVHPACNYURCNZ-QWRGUYRKSA-N 2 1 268.361 -0.142 20 0 CBADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000879573693 584241476 /nfs/dbraw/zinc/24/14/76/584241476.db2.gz PUIHTAZLEAJKOD-NEPJUHHUSA-N 2 1 280.372 -0.046 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000879573693 584241478 /nfs/dbraw/zinc/24/14/78/584241478.db2.gz PUIHTAZLEAJKOD-NEPJUHHUSA-N 2 1 280.372 -0.046 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000879573693 584241480 /nfs/dbraw/zinc/24/14/80/584241480.db2.gz PUIHTAZLEAJKOD-NEPJUHHUSA-N 2 1 280.372 -0.046 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000879573693 584241482 /nfs/dbraw/zinc/24/14/82/584241482.db2.gz PUIHTAZLEAJKOD-NEPJUHHUSA-N 2 1 280.372 -0.046 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579417 584241739 /nfs/dbraw/zinc/24/17/39/584241739.db2.gz LGLYXSZHWVMLQH-QWRGUYRKSA-N 2 1 250.350 -0.221 20 0 CBADMP Cn1nnnc1CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579417 584241740 /nfs/dbraw/zinc/24/17/40/584241740.db2.gz LGLYXSZHWVMLQH-QWRGUYRKSA-N 2 1 250.350 -0.221 20 0 CBADMP Cn1nnnc1CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579417 584241741 /nfs/dbraw/zinc/24/17/41/584241741.db2.gz LGLYXSZHWVMLQH-QWRGUYRKSA-N 2 1 250.350 -0.221 20 0 CBADMP Cn1nnnc1CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579417 584241743 /nfs/dbraw/zinc/24/17/43/584241743.db2.gz LGLYXSZHWVMLQH-QWRGUYRKSA-N 2 1 250.350 -0.221 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCC(c2nnnn2C)CC1 ZINC000879916168 584253614 /nfs/dbraw/zinc/25/36/14/584253614.db2.gz JGAUNVMUPCPUNA-LBPRGKRZSA-N 2 1 282.392 -0.298 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879998387 584258941 /nfs/dbraw/zinc/25/89/41/584258941.db2.gz RMHCFKVPPDIXJK-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879998387 584258943 /nfs/dbraw/zinc/25/89/43/584258943.db2.gz RMHCFKVPPDIXJK-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP OC[C@H]1C[N@H+]2CCC[C@H]2CN1C[C@H](O)C[NH+]1CCCC1 ZINC000880070672 584260438 /nfs/dbraw/zinc/26/04/38/584260438.db2.gz KBGFRCKJFCLMAU-RRFJBIMHSA-N 2 1 283.416 -0.416 20 0 CBADMP CO[C@@H]1COCC[C@@H]1[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000880434823 584273836 /nfs/dbraw/zinc/27/38/36/584273836.db2.gz GWRJWUCXVJVQRM-UONOGXRCSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)CN1CC[NH+](CC)CC1 ZINC000882487282 584318559 /nfs/dbraw/zinc/31/85/59/584318559.db2.gz CHIWPXWEKKGHHM-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](CCc2cn[nH]c2)C1 ZINC000883439221 584342456 /nfs/dbraw/zinc/34/24/56/584342456.db2.gz LZVPVXDQLILFDM-FRRDWIJNSA-N 2 1 291.355 -0.181 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1(C)C ZINC000883638118 584345791 /nfs/dbraw/zinc/34/57/91/584345791.db2.gz DJZSFUSXERGVMK-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1(C)C ZINC000883638118 584345794 /nfs/dbraw/zinc/34/57/94/584345794.db2.gz DJZSFUSXERGVMK-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000884235775 584369295 /nfs/dbraw/zinc/36/92/95/584369295.db2.gz DXIWQTYVOICJCX-STQMWFEESA-N 2 1 270.421 -0.018 20 0 CBADMP [NH3+][C@@H](CC1CC1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000884252292 584370563 /nfs/dbraw/zinc/37/05/63/584370563.db2.gz GMENPGQVWXHANF-OLZOCXBDSA-N 2 1 294.399 -0.463 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000884316178 584373784 /nfs/dbraw/zinc/37/37/84/584373784.db2.gz LOUMVFYLQIESON-WOPDTQHZSA-N 2 1 255.362 -0.097 20 0 CBADMP CN(CCC[NH+](C)C)CCNC(=O)c1ncoc1C[NH3+] ZINC000884401614 584379225 /nfs/dbraw/zinc/37/92/25/584379225.db2.gz VIUCYQKLPGBQSI-UHFFFAOYSA-N 2 1 283.376 -0.253 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000884412644 584380174 /nfs/dbraw/zinc/38/01/74/584380174.db2.gz XHKZRUYGEWUADS-KBPBESRZSA-N 2 1 298.431 -0.413 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000884412644 584380175 /nfs/dbraw/zinc/38/01/75/584380175.db2.gz XHKZRUYGEWUADS-KBPBESRZSA-N 2 1 298.431 -0.413 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884545663 584387384 /nfs/dbraw/zinc/38/73/84/584387384.db2.gz NZDFSLFCCYIHHN-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000884553561 584387807 /nfs/dbraw/zinc/38/78/07/584387807.db2.gz BAOAOWSRPHJQIT-WISYIIOYSA-N 2 1 294.399 -0.324 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000884554383 584387882 /nfs/dbraw/zinc/38/78/82/584387882.db2.gz SGKDNFLTVJMFTJ-MNOVXSKESA-N 2 1 296.415 -0.029 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884601744 584389668 /nfs/dbraw/zinc/38/96/68/584389668.db2.gz UQPJEQYFPPRFPA-SRVKXCTJSA-N 2 1 284.404 -0.219 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000884617149 584391071 /nfs/dbraw/zinc/39/10/71/584391071.db2.gz ISQKPBPKJZUDOG-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)[N@@H+](C)C1CC1 ZINC000884616901 584391156 /nfs/dbraw/zinc/39/11/56/584391156.db2.gz DTVJRCJEWNCXGV-MXWKQRLJSA-N 2 1 282.388 -0.467 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@H]1CC[NH2+]C1 ZINC000884617147 584391183 /nfs/dbraw/zinc/39/11/83/584391183.db2.gz ISQKPBPKJZUDOG-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1=CC[N@@H+](C)CC1 ZINC000884624097 584391753 /nfs/dbraw/zinc/39/17/53/584391753.db2.gz YAPWVFVOLBUPJI-WXHSDQCUSA-N 2 1 292.383 -0.674 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884631522 584392318 /nfs/dbraw/zinc/39/23/18/584392318.db2.gz NBRTZLBOTHOOSL-AGIUHOORSA-N 2 1 292.383 -0.840 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884659007 584393156 /nfs/dbraw/zinc/39/31/56/584393156.db2.gz GECBKGCPPVJVGY-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884659280 584393244 /nfs/dbraw/zinc/39/32/44/584393244.db2.gz NICYBXRLVNHSGP-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCC[NH3+])CC[C@@H]21 ZINC000884672998 584394197 /nfs/dbraw/zinc/39/41/97/584394197.db2.gz JVMVOKLJVBKAJD-MNOVXSKESA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884675908 584394939 /nfs/dbraw/zinc/39/49/39/584394939.db2.gz UUFYRBNNSDYYGT-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884676517 584394969 /nfs/dbraw/zinc/39/49/69/584394969.db2.gz PAGYAWCLNKHLNA-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1(C)C ZINC000884686033 584396094 /nfs/dbraw/zinc/39/60/94/584396094.db2.gz WXDXTQOBOXKSRJ-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1(C)C ZINC000884686033 584396097 /nfs/dbraw/zinc/39/60/97/584396097.db2.gz WXDXTQOBOXKSRJ-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCC[NH2+]C3CC3)CC[C@H]21 ZINC000884690368 584397367 /nfs/dbraw/zinc/39/73/67/584397367.db2.gz WPOVVEOPJNTIPS-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCC[NH2+]C3CC3)CC[C@@H]21 ZINC000884690366 584397420 /nfs/dbraw/zinc/39/74/20/584397420.db2.gz WPOVVEOPJNTIPS-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CCC1(C)C ZINC000884693772 584398117 /nfs/dbraw/zinc/39/81/17/584398117.db2.gz NXNVTFVRFNKHKY-UHFFFAOYSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1(C)C ZINC000884694704 584398497 /nfs/dbraw/zinc/39/84/97/584398497.db2.gz UOYPXQPUUKABDO-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1(C)C ZINC000884694704 584398499 /nfs/dbraw/zinc/39/84/99/584398499.db2.gz UOYPXQPUUKABDO-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884701590 584398588 /nfs/dbraw/zinc/39/85/88/584398588.db2.gz KZMMLFYKIGGDOZ-YNEHKIRRSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884704687 584399279 /nfs/dbraw/zinc/39/92/79/584399279.db2.gz PFJVQKYSFISWNM-MXWKQRLJSA-N 2 1 268.361 -0.998 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[C@H]21 ZINC000884709028 584399807 /nfs/dbraw/zinc/39/98/07/584399807.db2.gz SGUZWBXOULDVRU-WDEREUQCSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC1(C)C ZINC000884715924 584400054 /nfs/dbraw/zinc/40/00/54/584400054.db2.gz IBCPCHWSTKNFHZ-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC1(C)C ZINC000884715924 584400055 /nfs/dbraw/zinc/40/00/55/584400055.db2.gz IBCPCHWSTKNFHZ-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884716957 584400058 /nfs/dbraw/zinc/40/00/58/584400058.db2.gz OAPUENGPPIYPJG-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884716957 584400059 /nfs/dbraw/zinc/40/00/59/584400059.db2.gz OAPUENGPPIYPJG-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC[NH2+]1 ZINC000884718489 584400326 /nfs/dbraw/zinc/40/03/26/584400326.db2.gz GMJUYDQSEWKUQR-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC[NH2+]1 ZINC000884718489 584400327 /nfs/dbraw/zinc/40/03/27/584400327.db2.gz GMJUYDQSEWKUQR-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1(C)C ZINC000884781529 584402244 /nfs/dbraw/zinc/40/22/44/584402244.db2.gz FTLCEVXNYKUJDK-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1(C)C ZINC000884781529 584402245 /nfs/dbraw/zinc/40/22/45/584402245.db2.gz FTLCEVXNYKUJDK-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC000885195566 584409624 /nfs/dbraw/zinc/40/96/24/584409624.db2.gz NBLCQNFIPCOFGN-JTQLQIEISA-N 2 1 270.377 -0.560 20 0 CBADMP CCN(C(=O)C(=O)N1CC[NH+](C(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000887066588 584460938 /nfs/dbraw/zinc/46/09/38/584460938.db2.gz PDERGTPNEMTUJC-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])C2)C1 ZINC000887087939 584462699 /nfs/dbraw/zinc/46/26/99/584462699.db2.gz DEBVXGPATZHEMG-DOMZBBRYSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC[C@H]21 ZINC000887089774 584463375 /nfs/dbraw/zinc/46/33/75/584463375.db2.gz STBBUPSZFJWYFR-YNEHKIRRSA-N 2 1 294.399 -0.511 20 0 CBADMP C[NH+](C)CCn1cc(NC(=O)NCC[N@@H+](C)CCO)cn1 ZINC000887849898 584475057 /nfs/dbraw/zinc/47/50/57/584475057.db2.gz XMWJUYCWSKCDEE-UHFFFAOYSA-N 2 1 298.391 -0.510 20 0 CBADMP 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 584477132 /nfs/dbraw/zinc/47/71/32/584477132.db2.gz LXAZXOOBFCIXST-UXOAXIEHSA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@@H]2CN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)C[C@]2(C)C1 ZINC000887923059 584477134 /nfs/dbraw/zinc/47/71/34/584477134.db2.gz LXAZXOOBFCIXST-UXOAXIEHSA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@@H]2CN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)C[C@]2(C)C1 ZINC000887923059 584477136 /nfs/dbraw/zinc/47/71/36/584477136.db2.gz LXAZXOOBFCIXST-UXOAXIEHSA-N 2 1 281.400 -0.148 20 0 CBADMP CN1CCN(C(=O)C23CC[NH+](CC2)C3)CC[N@@H+](C)CC1 ZINC000888979060 584509867 /nfs/dbraw/zinc/50/98/67/584509867.db2.gz DZCZMGLZEVIMBD-UHFFFAOYSA-N 2 1 280.416 -0.212 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891540622 584584806 /nfs/dbraw/zinc/58/48/06/584584806.db2.gz VRQVCVCOYNUPRW-FRRDWIJNSA-N 2 1 281.404 -0.622 20 0 CBADMP C[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000891583130 584587158 /nfs/dbraw/zinc/58/71/58/584587158.db2.gz KEOBQQOAFZVXLA-UPJWGTAASA-N 2 1 284.404 -0.009 20 0 CBADMP CC[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000891992987 584597865 /nfs/dbraw/zinc/59/78/65/584597865.db2.gz DJIIGXHONWGUGI-NSHDSACASA-N 2 1 272.393 -0.260 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCC3C[NH2+]C3)CC[C@H]21 ZINC000892047699 584601159 /nfs/dbraw/zinc/60/11/59/584601159.db2.gz ARBFZRLTQNJZED-VXGBXAGGSA-N 2 1 252.362 -0.059 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000892331457 584615575 /nfs/dbraw/zinc/61/55/75/584615575.db2.gz WPWKONCHGLFNNG-GFCCVEGCSA-N 2 1 284.404 -0.164 20 0 CBADMP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000892430336 584616805 /nfs/dbraw/zinc/61/68/05/584616805.db2.gz HEQVJKNAAPGWQV-JHJVBQTASA-N 2 1 284.404 -0.130 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000892553610 584618751 /nfs/dbraw/zinc/61/87/51/584618751.db2.gz PWIRSMWGCQYAPT-ZDEQEGDKSA-N 2 1 284.404 -0.180 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC000892566776 584619213 /nfs/dbraw/zinc/61/92/13/584619213.db2.gz NIEAFCSPDRGHQT-JHJVBQTASA-N 2 1 284.404 -0.130 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000892567070 584619234 /nfs/dbraw/zinc/61/92/34/584619234.db2.gz PPYAKCJKUXUMEN-JHJVBQTASA-N 2 1 284.404 -0.130 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000892566379 584619254 /nfs/dbraw/zinc/61/92/54/584619254.db2.gz ILSVZSKOLLAGHL-JHJVBQTASA-N 2 1 284.404 -0.130 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000892686874 584622793 /nfs/dbraw/zinc/62/27/93/584622793.db2.gz DZBMVKSPOUIUFX-CHWSQXEVSA-N 2 1 284.404 -0.090 20 0 CBADMP COCC[NH+](C)CCNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000892686874 584622795 /nfs/dbraw/zinc/62/27/95/584622795.db2.gz DZBMVKSPOUIUFX-CHWSQXEVSA-N 2 1 284.404 -0.090 20 0 CBADMP COCC[NH+](C)CCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000892686874 584622797 /nfs/dbraw/zinc/62/27/97/584622797.db2.gz DZBMVKSPOUIUFX-CHWSQXEVSA-N 2 1 284.404 -0.090 20 0 CBADMP CCO[C@@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@H]1OC ZINC000892926582 584629901 /nfs/dbraw/zinc/62/99/01/584629901.db2.gz LEVZMYRDYCDYIO-GZBFAFLISA-N 2 1 299.415 -0.068 20 0 CBADMP CCC1([NH3+])CCN(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000892926828 584629922 /nfs/dbraw/zinc/62/99/22/584629922.db2.gz YJHSENGMXUTEFT-AWEZNQCLSA-N 2 1 284.404 -0.034 20 0 CBADMP C[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[C@@H]1C[NH+](C)CCO1 ZINC000893764245 584645084 /nfs/dbraw/zinc/64/50/84/584645084.db2.gz LIHUPMXSMKNMKW-MQYQWHSLSA-N 2 1 296.415 -0.092 20 0 CBADMP C[C@@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[C@@H]1C[NH+](C)CCO1 ZINC000893764245 584645085 /nfs/dbraw/zinc/64/50/85/584645085.db2.gz LIHUPMXSMKNMKW-MQYQWHSLSA-N 2 1 296.415 -0.092 20 0 CBADMP C[C@@H](NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000893764245 584645088 /nfs/dbraw/zinc/64/50/88/584645088.db2.gz LIHUPMXSMKNMKW-MQYQWHSLSA-N 2 1 296.415 -0.092 20 0 CBADMP C[C@@H](NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000893764245 584645090 /nfs/dbraw/zinc/64/50/90/584645090.db2.gz LIHUPMXSMKNMKW-MQYQWHSLSA-N 2 1 296.415 -0.092 20 0 CBADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000893904397 584648814 /nfs/dbraw/zinc/64/88/14/584648814.db2.gz FNGIIHMLRPYYHI-LLVKDONJSA-N 2 1 261.391 -0.309 20 0 CBADMP CNc1cc(NCC[N@@H+](C)CCOCCO)ncn1 ZINC000895155225 584671871 /nfs/dbraw/zinc/67/18/71/584671871.db2.gz GEXJVHAGDYBGGY-UHFFFAOYSA-N 2 1 269.349 -0.129 20 0 CBADMP CNc1cc(NCC[N@@H+](C)CCOCCO)nc[nH+]1 ZINC000895155225 584671878 /nfs/dbraw/zinc/67/18/78/584671878.db2.gz GEXJVHAGDYBGGY-UHFFFAOYSA-N 2 1 269.349 -0.129 20 0 CBADMP C[NH+]1CCC(C[N@H+]2CCO[C@H](CC(N)=O)C2)CC1 ZINC000895653102 584683936 /nfs/dbraw/zinc/68/39/36/584683936.db2.gz RMJJTHKUQMUDCA-GFCCVEGCSA-N 2 1 255.362 -0.096 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000895819313 584687757 /nfs/dbraw/zinc/68/77/57/584687757.db2.gz WNNDVOYMQZYIRT-WCQYABFASA-N 2 1 267.373 -0.225 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895883390 584689123 /nfs/dbraw/zinc/68/91/23/584689123.db2.gz DRSSEIYJNOUVPL-CHWSQXEVSA-N 2 1 267.373 -0.083 20 0 CBADMP COC(=O)[C@]1(O)CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000896035254 584691227 /nfs/dbraw/zinc/69/12/27/584691227.db2.gz QUNGTBMALIMQOX-ZDUSSCGKSA-N 2 1 256.346 -0.062 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)N1CCN(C)CC[NH+](C)CC1 ZINC000896461667 584699486 /nfs/dbraw/zinc/69/94/86/584699486.db2.gz QCSBAFBNJMUDQY-AWEZNQCLSA-N 2 1 297.447 -0.031 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000896461667 584699487 /nfs/dbraw/zinc/69/94/87/584699487.db2.gz QCSBAFBNJMUDQY-AWEZNQCLSA-N 2 1 297.447 -0.031 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000896461667 584699488 /nfs/dbraw/zinc/69/94/88/584699488.db2.gz QCSBAFBNJMUDQY-AWEZNQCLSA-N 2 1 297.447 -0.031 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000896459320 584699516 /nfs/dbraw/zinc/69/95/16/584699516.db2.gz DYXVJVRLKJWKRY-LBPRGKRZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1C[NH+](C)CCN1C ZINC000896529260 584700713 /nfs/dbraw/zinc/70/07/13/584700713.db2.gz AGLUWHSHXFXRST-FRRDWIJNSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@H+](C)CCN1C ZINC000896529260 584700714 /nfs/dbraw/zinc/70/07/14/584700714.db2.gz AGLUWHSHXFXRST-FRRDWIJNSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@H](NC(=O)[C@H](C)[NH+](C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896531566 584701054 /nfs/dbraw/zinc/70/10/54/584701054.db2.gz PSWNUTWWUHKTGA-SRVKXCTJSA-N 2 1 256.394 -0.313 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000897550386 584720160 /nfs/dbraw/zinc/72/01/60/584720160.db2.gz IFMARNLWPGAEPL-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000897550386 584720159 /nfs/dbraw/zinc/72/01/59/584720159.db2.gz IFMARNLWPGAEPL-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000897550386 584720161 /nfs/dbraw/zinc/72/01/61/584720161.db2.gz IFMARNLWPGAEPL-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000897550386 584720162 /nfs/dbraw/zinc/72/01/62/584720162.db2.gz IFMARNLWPGAEPL-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000897786431 584724967 /nfs/dbraw/zinc/72/49/67/584724967.db2.gz URXGITVRHZJJEN-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000897786431 584724969 /nfs/dbraw/zinc/72/49/69/584724969.db2.gz URXGITVRHZJJEN-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)C1 ZINC000898165439 584732411 /nfs/dbraw/zinc/73/24/11/584732411.db2.gz RCWYOXUXMFEMDN-FRRDWIJNSA-N 2 1 267.373 -0.273 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)C1 ZINC000898165439 584732412 /nfs/dbraw/zinc/73/24/12/584732412.db2.gz RCWYOXUXMFEMDN-FRRDWIJNSA-N 2 1 267.373 -0.273 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC000898165439 584732413 /nfs/dbraw/zinc/73/24/13/584732413.db2.gz RCWYOXUXMFEMDN-FRRDWIJNSA-N 2 1 267.373 -0.273 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC000898165439 584732414 /nfs/dbraw/zinc/73/24/14/584732414.db2.gz RCWYOXUXMFEMDN-FRRDWIJNSA-N 2 1 267.373 -0.273 20 0 CBADMP CN1C(=O)C[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000899255138 584754982 /nfs/dbraw/zinc/75/49/82/584754982.db2.gz RPHOMCNBAWHINJ-BREBYQMCSA-N 2 1 251.330 -0.373 20 0 CBADMP CN1C(=O)C[C@@H]([N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000899255138 584754984 /nfs/dbraw/zinc/75/49/84/584754984.db2.gz RPHOMCNBAWHINJ-BREBYQMCSA-N 2 1 251.330 -0.373 20 0 CBADMP CN1C(=O)C[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC000899255138 584754986 /nfs/dbraw/zinc/75/49/86/584754986.db2.gz RPHOMCNBAWHINJ-BREBYQMCSA-N 2 1 251.330 -0.373 20 0 CBADMP CN1C(=O)C[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC000899255138 584754988 /nfs/dbraw/zinc/75/49/88/584754988.db2.gz RPHOMCNBAWHINJ-BREBYQMCSA-N 2 1 251.330 -0.373 20 0 CBADMP CN1CCC[C@H]1c1cc(C(=O)NCC[N@@H+](C)CCO)[nH]n1 ZINC000899740354 584779144 /nfs/dbraw/zinc/77/91/44/584779144.db2.gz ISTIJVZVCFXUHI-ZDUSSCGKSA-N 2 1 295.387 -0.170 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000899740240 584779207 /nfs/dbraw/zinc/77/92/07/584779207.db2.gz HSMJNABLBYCDCQ-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](CCO)CCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000899740240 584779208 /nfs/dbraw/zinc/77/92/08/584779208.db2.gz HSMJNABLBYCDCQ-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](CCO)CCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000899740240 584779209 /nfs/dbraw/zinc/77/92/09/584779209.db2.gz HSMJNABLBYCDCQ-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900010251 584788873 /nfs/dbraw/zinc/78/88/73/584788873.db2.gz VPGBTXXKBSBLOG-UKRRQHHQSA-N 2 1 298.431 -0.853 20 0 CBADMP C[N@@H+](CC(=O)NCCN1CC[NH+](C)CC1)C1CCC1 ZINC000900043928 584789901 /nfs/dbraw/zinc/78/99/01/584789901.db2.gz XELUDKLXDKFCIH-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C1CC1 ZINC000900283471 584798176 /nfs/dbraw/zinc/79/81/76/584798176.db2.gz RXRWZGZRIPQUNY-SCRDCRAPSA-N 2 1 269.389 -0.102 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)C1CC1 ZINC000900283469 584798204 /nfs/dbraw/zinc/79/82/04/584798204.db2.gz RXRWZGZRIPQUNY-BZPMIXESSA-N 2 1 269.389 -0.102 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000900516385 584809455 /nfs/dbraw/zinc/80/94/55/584809455.db2.gz BUWRBSFERQMWKF-AAEUAGOBSA-N 2 1 273.377 -0.864 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900516385 584809458 /nfs/dbraw/zinc/80/94/58/584809458.db2.gz BUWRBSFERQMWKF-AAEUAGOBSA-N 2 1 273.377 -0.864 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900516385 584809459 /nfs/dbraw/zinc/80/94/59/584809459.db2.gz BUWRBSFERQMWKF-AAEUAGOBSA-N 2 1 273.377 -0.864 20 0 CBADMP COCC[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900605318 584815836 /nfs/dbraw/zinc/81/58/36/584815836.db2.gz IUKLVCORSLLHSN-YDHLFZDLSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900605318 584815838 /nfs/dbraw/zinc/81/58/38/584815838.db2.gz IUKLVCORSLLHSN-YDHLFZDLSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CCC[C@H](NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900605318 584815839 /nfs/dbraw/zinc/81/58/39/584815839.db2.gz IUKLVCORSLLHSN-YDHLFZDLSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CCC[C@H](NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900605318 584815841 /nfs/dbraw/zinc/81/58/41/584815841.db2.gz IUKLVCORSLLHSN-YDHLFZDLSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900612387 584816308 /nfs/dbraw/zinc/81/63/08/584816308.db2.gz BVUZFNHBNPWPDK-UMVBOHGHSA-N 2 1 298.431 -0.806 20 0 CBADMP CC[N@H+]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC1 ZINC000900634115 584817861 /nfs/dbraw/zinc/81/78/61/584817861.db2.gz SCNAYAIYPDCAKL-OCCSQVGLSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[NH+]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900634115 584817863 /nfs/dbraw/zinc/81/78/63/584817863.db2.gz SCNAYAIYPDCAKL-OCCSQVGLSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[NH+]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900634115 584817865 /nfs/dbraw/zinc/81/78/65/584817865.db2.gz SCNAYAIYPDCAKL-OCCSQVGLSA-N 2 1 269.389 -0.004 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900659377 584819404 /nfs/dbraw/zinc/81/94/04/584819404.db2.gz MTIYHJRGDRZFGF-HIFRSBDPSA-N 2 1 298.431 -0.805 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900659377 584819405 /nfs/dbraw/zinc/81/94/05/584819405.db2.gz MTIYHJRGDRZFGF-HIFRSBDPSA-N 2 1 298.431 -0.805 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900659377 584819406 /nfs/dbraw/zinc/81/94/06/584819406.db2.gz MTIYHJRGDRZFGF-HIFRSBDPSA-N 2 1 298.431 -0.805 20 0 CBADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900712096 584824007 /nfs/dbraw/zinc/82/40/07/584824007.db2.gz SBOOTDMSBIKASR-SCRDCRAPSA-N 2 1 269.389 -0.148 20 0 CBADMP C[NH+]1CCC(O)(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900901918 584832399 /nfs/dbraw/zinc/83/23/99/584832399.db2.gz WHWUIORUNBMLAV-OAHLLOKOSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1C[N@H+](C)CCO1 ZINC000901139065 584851620 /nfs/dbraw/zinc/85/16/20/584851620.db2.gz QATGVRHUQLEBFL-NEPJUHHUSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1C[N@@H+](C)CCO1 ZINC000901139065 584851622 /nfs/dbraw/zinc/85/16/22/584851622.db2.gz QATGVRHUQLEBFL-NEPJUHHUSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCC[C@@](O)(CC(=O)NCC[NH+]2CCC2)C1 ZINC000901181519 584853865 /nfs/dbraw/zinc/85/38/65/584853865.db2.gz SNNVTNKFPSHXMU-CYBMUJFWSA-N 2 1 255.362 -0.345 20 0 CBADMP CS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902473981 584877261 /nfs/dbraw/zinc/87/72/61/584877261.db2.gz BDMYGJVCZSWUED-GRYCIOLGSA-N 2 1 273.402 -0.107 20 0 CBADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000902520952 584877855 /nfs/dbraw/zinc/87/78/55/584877855.db2.gz QARRUBZWRJRRBX-QWRGUYRKSA-N 2 1 266.345 -0.073 20 0 CBADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(CO)COCCN2C)[C@H](C)C1 ZINC000903278777 584889806 /nfs/dbraw/zinc/88/98/06/584889806.db2.gz HEFSJUHFXJPXNG-QLFBSQMISA-N 2 1 285.432 -0.001 20 0 CBADMP Cn1nnnc1CCC[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000903353121 584890126 /nfs/dbraw/zinc/89/01/26/584890126.db2.gz YXAWTHFSJWNJTB-QWRGUYRKSA-N 2 1 250.350 -0.174 20 0 CBADMP Cn1nnnc1CCC[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000903353121 584890127 /nfs/dbraw/zinc/89/01/27/584890127.db2.gz YXAWTHFSJWNJTB-QWRGUYRKSA-N 2 1 250.350 -0.174 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903423252 584890289 /nfs/dbraw/zinc/89/02/89/584890289.db2.gz QXRGUXNUCUHUPA-AGIUHOORSA-N 3 1 268.405 -0.099 20 0 CBADMP CON1CC[C@@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000903453756 584890668 /nfs/dbraw/zinc/89/06/68/584890668.db2.gz KOETXWFKINXVJG-NWDGAFQWSA-N 2 1 268.361 -0.872 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903474972 584891100 /nfs/dbraw/zinc/89/11/00/584891100.db2.gz XBIFPSBQZVVXCH-KGLIPLIRSA-N 2 1 296.415 -0.216 20 0 CBADMP COC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492321 584891750 /nfs/dbraw/zinc/89/17/50/584891750.db2.gz AUNRRBCCPOXDPJ-XHSYRHOGSA-N 2 1 270.329 -0.240 20 0 CBADMP CCOC(=O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493448 584891872 /nfs/dbraw/zinc/89/18/72/584891872.db2.gz SAMPRBZCJHJPEB-CWSCBRNRSA-N 2 1 270.329 -0.238 20 0 CBADMP CCOC(=O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493448 584891874 /nfs/dbraw/zinc/89/18/74/584891874.db2.gz SAMPRBZCJHJPEB-CWSCBRNRSA-N 2 1 270.329 -0.238 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H]1CCN(OC)C1=O)C2 ZINC000903494537 584891928 /nfs/dbraw/zinc/89/19/28/584891928.db2.gz IZJVPHWELFDTHO-MIJXAVMKSA-N 2 1 297.355 -0.639 20 0 CBADMP COC(=O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493506 584891955 /nfs/dbraw/zinc/89/19/55/584891955.db2.gz TULSWSLEQQIDBR-SBMIAAHKSA-N 2 1 256.302 -0.628 20 0 CBADMP COC(=O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493506 584891957 /nfs/dbraw/zinc/89/19/57/584891957.db2.gz TULSWSLEQQIDBR-SBMIAAHKSA-N 2 1 256.302 -0.628 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903500181 584892075 /nfs/dbraw/zinc/89/20/75/584892075.db2.gz UTSPWOSJJXWZRV-VXGBXAGGSA-N 2 1 285.388 -0.075 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000903527097 584892489 /nfs/dbraw/zinc/89/24/89/584892489.db2.gz SRFIAMFPNZUPPR-NXEZZACHSA-N 2 1 261.391 -0.392 20 0 CBADMP CC(C)[N@H+](CC(N)=O)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717421 584895607 /nfs/dbraw/zinc/89/56/07/584895607.db2.gz AEZVTDURSKCUFY-DGCLKSJQSA-N 2 1 255.362 -0.049 20 0 CBADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCN1CCCS1(=O)=O ZINC000903717247 584895649 /nfs/dbraw/zinc/89/56/49/584895649.db2.gz LDUTZVVXJJIPJJ-NSHDSACASA-N 2 1 263.407 -0.015 20 0 CBADMP CN(C)C(=O)C[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718342 584895692 /nfs/dbraw/zinc/89/56/92/584895692.db2.gz KYRBWVUVKFEAAP-DGCLKSJQSA-N 2 1 255.362 -0.225 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718342 584895693 /nfs/dbraw/zinc/89/56/93/584895693.db2.gz KYRBWVUVKFEAAP-DGCLKSJQSA-N 2 1 255.362 -0.225 20 0 CBADMP C[N@@H+](CC(=O)NC1CC1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717957 584895695 /nfs/dbraw/zinc/89/56/95/584895695.db2.gz GMJGAOXQZJYIEF-TZMCWYRMSA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@H+](CC(=O)NC1CC1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717957 584895696 /nfs/dbraw/zinc/89/56/96/584895696.db2.gz GMJGAOXQZJYIEF-TZMCWYRMSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@H]1C ZINC000903747476 584896971 /nfs/dbraw/zinc/89/69/71/584896971.db2.gz PGSSWQZFENELHM-UPJWGTAASA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@H]1C ZINC000903747476 584896972 /nfs/dbraw/zinc/89/69/72/584896972.db2.gz PGSSWQZFENELHM-UPJWGTAASA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@@H]1C ZINC000903747477 584897018 /nfs/dbraw/zinc/89/70/18/584897018.db2.gz PGSSWQZFENELHM-XQQFMLRXSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@@H]1C ZINC000903747477 584897019 /nfs/dbraw/zinc/89/70/19/584897019.db2.gz PGSSWQZFENELHM-XQQFMLRXSA-N 2 1 296.415 -0.123 20 0 CBADMP COCC(COC)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903779447 584899297 /nfs/dbraw/zinc/89/92/97/584899297.db2.gz ZSBQJDXYEFEDOH-RTXFEEFZSA-N 2 1 299.371 -0.485 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@H]2C1=O ZINC000903777961 584899323 /nfs/dbraw/zinc/89/93/23/584899323.db2.gz HFTDTFCWTGUBDJ-UUIJZJDISA-N 2 1 293.367 -0.698 20 0 CBADMP NC(=O)[C@]12CCC[C@H]1C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000903827769 584901182 /nfs/dbraw/zinc/90/11/82/584901182.db2.gz WRINKTLQTCPGJV-JSGCOSHPSA-N 2 1 266.389 -0.521 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903860887 584902250 /nfs/dbraw/zinc/90/22/50/584902250.db2.gz UTVDCRQPSAAJHD-BXUZGUMPSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903860887 584902252 /nfs/dbraw/zinc/90/22/52/584902252.db2.gz UTVDCRQPSAAJHD-BXUZGUMPSA-N 2 1 283.372 -0.179 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903864474 584902599 /nfs/dbraw/zinc/90/25/99/584902599.db2.gz VKRJHPDTPSARGK-MELADBBJSA-N 2 1 271.405 -0.261 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@]12CC[NH2+]C2 ZINC000903870609 584902820 /nfs/dbraw/zinc/90/28/20/584902820.db2.gz ODBLBPIQHSUAIZ-KBPBESRZSA-N 2 1 271.405 -0.247 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903872761 584902923 /nfs/dbraw/zinc/90/29/23/584902923.db2.gz BVZOZOIWAXHQQY-NWDGAFQWSA-N 2 1 292.387 -0.100 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903872761 584902924 /nfs/dbraw/zinc/90/29/24/584902924.db2.gz BVZOZOIWAXHQQY-NWDGAFQWSA-N 2 1 292.387 -0.100 20 0 CBADMP CC[N@@H+](CC(=O)NC)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903879506 584903470 /nfs/dbraw/zinc/90/34/70/584903470.db2.gz CGQBIGVTZKPDHT-GFCCVEGCSA-N 2 1 281.404 -0.086 20 0 CBADMP CC[N@H+](CC(=O)NC)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903879506 584903472 /nfs/dbraw/zinc/90/34/72/584903472.db2.gz CGQBIGVTZKPDHT-GFCCVEGCSA-N 2 1 281.404 -0.086 20 0 CBADMP O=C1NC(=O)N2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]12 ZINC000903902609 584904157 /nfs/dbraw/zinc/90/41/57/584904157.db2.gz KQULGBNLIYKTPJ-YATPEIPISA-N 2 1 278.356 -0.247 20 0 CBADMP C[C@]1(C(N)=O)CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903909859 584904479 /nfs/dbraw/zinc/90/44/79/584904479.db2.gz HHHSQZBOSCEBGM-FZMZJTMJSA-N 2 1 292.387 -0.100 20 0 CBADMP C[C@@H](C[NH3+])C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903919655 584904794 /nfs/dbraw/zinc/90/47/94/584904794.db2.gz PEVVCYSQXJDFKV-QWRGUYRKSA-N 3 1 252.366 -0.113 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000903960445 584905069 /nfs/dbraw/zinc/90/50/69/584905069.db2.gz KOAABVVCXKJNAR-TZMCWYRMSA-N 2 1 290.415 -0.074 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CCO)C2)C1 ZINC000972170082 614365658 /nfs/dbraw/zinc/36/56/58/614365658.db2.gz YCZLTKAHRSGNOK-KBPBESRZSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CCO)C2)C1 ZINC000972170082 614365660 /nfs/dbraw/zinc/36/56/60/614365660.db2.gz YCZLTKAHRSGNOK-KBPBESRZSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@H+](C)CCO)C2)C1 ZINC000972170082 614365663 /nfs/dbraw/zinc/36/56/63/614365663.db2.gz YCZLTKAHRSGNOK-KBPBESRZSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)C1 ZINC000972170082 614365665 /nfs/dbraw/zinc/36/56/65/614365665.db2.gz YCZLTKAHRSGNOK-KBPBESRZSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000969705553 614365693 /nfs/dbraw/zinc/36/56/93/614365693.db2.gz WILFOCYKBUHHLX-OLZOCXBDSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000969705553 614365695 /nfs/dbraw/zinc/36/56/95/614365695.db2.gz WILFOCYKBUHHLX-OLZOCXBDSA-N 2 1 285.388 -0.722 20 0 CBADMP CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000977497190 614661186 /nfs/dbraw/zinc/66/11/86/614661186.db2.gz KMLUZGQCWJNANV-LBPRGKRZSA-N 2 1 281.400 -0.099 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000960185618 614680622 /nfs/dbraw/zinc/68/06/22/614680622.db2.gz RHHPFFIGYXPMFT-RFQIPJPRSA-N 2 1 281.400 -0.101 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000960185618 614680624 /nfs/dbraw/zinc/68/06/24/614680624.db2.gz RHHPFFIGYXPMFT-RFQIPJPRSA-N 2 1 281.400 -0.101 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000960185618 614680629 /nfs/dbraw/zinc/68/06/29/614680629.db2.gz RHHPFFIGYXPMFT-RFQIPJPRSA-N 2 1 281.400 -0.101 20 0 CBADMP CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC000979403039 615111729 /nfs/dbraw/zinc/11/17/29/615111729.db2.gz ACPXERJZZXNNGC-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](N(C)CC(N)=O)C1 ZINC000980484061 615113621 /nfs/dbraw/zinc/11/36/21/615113621.db2.gz VXYROIOQUTZHSF-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000970273570 615117644 /nfs/dbraw/zinc/11/76/44/615117644.db2.gz SBNYNDJBQWKGMN-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000970765103 615120162 /nfs/dbraw/zinc/12/01/62/615120162.db2.gz GJKBCWGOWSQZBD-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000970765103 615120164 /nfs/dbraw/zinc/12/01/64/615120164.db2.gz GJKBCWGOWSQZBD-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)CCO)C2)C1 ZINC000980454686 615169881 /nfs/dbraw/zinc/16/98/81/615169881.db2.gz WMPXKBGCNHPVOX-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)CCO)C2)C1 ZINC000980454686 615169882 /nfs/dbraw/zinc/16/98/82/615169882.db2.gz WMPXKBGCNHPVOX-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCO)C2)C1 ZINC000980454686 615169883 /nfs/dbraw/zinc/16/98/83/615169883.db2.gz WMPXKBGCNHPVOX-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)C1 ZINC000980454686 615169884 /nfs/dbraw/zinc/16/98/84/615169884.db2.gz WMPXKBGCNHPVOX-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOC)C[C@H]32)C1 ZINC000962659103 615172036 /nfs/dbraw/zinc/17/20/36/615172036.db2.gz ANKHSFIYLKQMOO-RQJABVFESA-N 2 1 297.399 -0.600 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOC)C[C@H]32)C1 ZINC000962659103 615172038 /nfs/dbraw/zinc/17/20/38/615172038.db2.gz ANKHSFIYLKQMOO-RQJABVFESA-N 2 1 297.399 -0.600 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCOC)C[C@H]32)C1 ZINC000962659103 615172040 /nfs/dbraw/zinc/17/20/40/615172040.db2.gz ANKHSFIYLKQMOO-RQJABVFESA-N 2 1 297.399 -0.600 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOC)C[C@H]32)C1 ZINC000962659103 615172042 /nfs/dbraw/zinc/17/20/42/615172042.db2.gz ANKHSFIYLKQMOO-RQJABVFESA-N 2 1 297.399 -0.600 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000979069097 615183664 /nfs/dbraw/zinc/18/36/64/615183664.db2.gz CEDBKPOJTCAVCY-FQUUOJAGSA-N 2 1 299.390 -0.029 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000979069097 615183665 /nfs/dbraw/zinc/18/36/65/615183665.db2.gz CEDBKPOJTCAVCY-FQUUOJAGSA-N 2 1 299.390 -0.029 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)C1 ZINC000979069097 615183667 /nfs/dbraw/zinc/18/36/67/615183667.db2.gz CEDBKPOJTCAVCY-FQUUOJAGSA-N 2 1 299.390 -0.029 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)C1 ZINC000979069097 615183668 /nfs/dbraw/zinc/18/36/68/615183668.db2.gz CEDBKPOJTCAVCY-FQUUOJAGSA-N 2 1 299.390 -0.029 20 0 CBADMP CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958375258 615372682 /nfs/dbraw/zinc/37/26/82/615372682.db2.gz SIUFCUZUHQAGSQ-CHWSQXEVSA-N 2 1 269.389 -0.243 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2)[NH+](C)C ZINC000972553493 615375717 /nfs/dbraw/zinc/37/57/17/615375717.db2.gz GMMCXGWGPCCYQZ-DZGCQCFKSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2)[NH+](C)C ZINC000972553493 615375720 /nfs/dbraw/zinc/37/57/20/615375720.db2.gz GMMCXGWGPCCYQZ-DZGCQCFKSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000972353743 615376824 /nfs/dbraw/zinc/37/68/24/615376824.db2.gz HSRPNQMUPWNQIQ-QWRGUYRKSA-N 2 1 270.377 -0.655 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000972353743 615376826 /nfs/dbraw/zinc/37/68/26/615376826.db2.gz HSRPNQMUPWNQIQ-QWRGUYRKSA-N 2 1 270.377 -0.655 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405564 615394523 /nfs/dbraw/zinc/39/45/23/615394523.db2.gz KDXCGVYVWQLKOV-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962563492 615403306 /nfs/dbraw/zinc/40/33/06/615403306.db2.gz FZVVVGZWSOPGAW-KZVDOYCCSA-N 2 1 294.399 -0.608 20 0 CBADMP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977947872 615432013 /nfs/dbraw/zinc/43/20/13/615432013.db2.gz ACBYCONKCBMFEV-RVMXOQNASA-N 2 1 267.373 -0.369 20 0 CBADMP CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977947872 615432014 /nfs/dbraw/zinc/43/20/14/615432014.db2.gz ACBYCONKCBMFEV-RVMXOQNASA-N 2 1 267.373 -0.369 20 0 CBADMP CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977947872 615432015 /nfs/dbraw/zinc/43/20/15/615432015.db2.gz ACBYCONKCBMFEV-RVMXOQNASA-N 2 1 267.373 -0.369 20 0 CBADMP CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977947872 615432016 /nfs/dbraw/zinc/43/20/16/615432016.db2.gz ACBYCONKCBMFEV-RVMXOQNASA-N 2 1 267.373 -0.369 20 0 CBADMP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958474309 615440502 /nfs/dbraw/zinc/44/05/02/615440502.db2.gz JIXDPDMLUCQYIG-KXNHARMFSA-N 2 1 253.346 -0.617 20 0 CBADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958474309 615440504 /nfs/dbraw/zinc/44/05/04/615440504.db2.gz JIXDPDMLUCQYIG-KXNHARMFSA-N 2 1 253.346 -0.617 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000958474309 615440505 /nfs/dbraw/zinc/44/05/05/615440505.db2.gz JIXDPDMLUCQYIG-KXNHARMFSA-N 2 1 253.346 -0.617 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000958474309 615440508 /nfs/dbraw/zinc/44/05/08/615440508.db2.gz JIXDPDMLUCQYIG-KXNHARMFSA-N 2 1 253.346 -0.617 20 0 CBADMP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1)C(N)=O ZINC000969356764 615537959 /nfs/dbraw/zinc/53/79/59/615537959.db2.gz NJVAXIKJWCMHJI-VXGBXAGGSA-N 2 1 293.371 -0.354 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(CC(N)=O)C2)CC[N@H+]1C ZINC000969690671 615585369 /nfs/dbraw/zinc/58/53/69/615585369.db2.gz QHCBWQYIUPRVPT-KGYLQXTDSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962563487 615622770 /nfs/dbraw/zinc/62/27/70/615622770.db2.gz FZVVVGZWSOPGAW-CZXHOFHRSA-N 2 1 294.399 -0.608 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCC([NH2+]CC(N)=O)CC1 ZINC000963157613 615882067 /nfs/dbraw/zinc/88/20/67/615882067.db2.gz PEGJBBXUYXFOGV-WXRRBKDZSA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)CCC1 ZINC000971678434 616053249 /nfs/dbraw/zinc/05/32/49/616053249.db2.gz MOQTYTJPBYZHJV-LLVKDONJSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)CCC1 ZINC000971678434 616053250 /nfs/dbraw/zinc/05/32/50/616053250.db2.gz MOQTYTJPBYZHJV-LLVKDONJSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972740524 616112396 /nfs/dbraw/zinc/11/23/96/616112396.db2.gz OJLOQVGTVRJIJA-LBPRGKRZSA-N 2 1 267.373 -0.393 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980406583 616112906 /nfs/dbraw/zinc/11/29/06/616112906.db2.gz QNPDOWCGIGZEBX-LBPRGKRZSA-N 2 1 255.362 -0.393 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCF)C[C@H]2O)CC1 ZINC000958374320 616167207 /nfs/dbraw/zinc/16/72/07/616167207.db2.gz MCJAKGWPTVNJRS-QWHCGFSZSA-N 2 1 287.379 -0.293 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCF)C[C@H]2O)CC1 ZINC000958374320 616167208 /nfs/dbraw/zinc/16/72/08/616167208.db2.gz MCJAKGWPTVNJRS-QWHCGFSZSA-N 2 1 287.379 -0.293 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CC1 ZINC000961656790 616167629 /nfs/dbraw/zinc/16/76/29/616167629.db2.gz BRLFQIKAEXNJTF-ITGUQSILSA-N 2 1 267.373 -0.633 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972482158 616168009 /nfs/dbraw/zinc/16/80/09/616168009.db2.gz GCLMXGPJJQUNCE-CYBMUJFWSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972482158 616168011 /nfs/dbraw/zinc/16/80/11/616168011.db2.gz GCLMXGPJJQUNCE-CYBMUJFWSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000960590844 616180808 /nfs/dbraw/zinc/18/08/08/616180808.db2.gz BZVLLHBJZNARRH-XQHKEYJVSA-N 2 1 267.373 -0.491 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)C[NH+](CCO)CCO2 ZINC000972295178 616192572 /nfs/dbraw/zinc/19/25/72/616192572.db2.gz RHUWMIKAUYJIPW-HIFRSBDPSA-N 2 1 297.399 -0.624 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)C[NH+](CCO)CCO2 ZINC000972295178 616192573 /nfs/dbraw/zinc/19/25/73/616192573.db2.gz RHUWMIKAUYJIPW-HIFRSBDPSA-N 2 1 297.399 -0.624 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972295178 616192574 /nfs/dbraw/zinc/19/25/74/616192574.db2.gz RHUWMIKAUYJIPW-HIFRSBDPSA-N 2 1 297.399 -0.624 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972295178 616192575 /nfs/dbraw/zinc/19/25/75/616192575.db2.gz RHUWMIKAUYJIPW-HIFRSBDPSA-N 2 1 297.399 -0.624 20 0 CBADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000948245763 616208779 /nfs/dbraw/zinc/20/87/79/616208779.db2.gz SMCDYEREIZTZAE-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC000948245763 616208780 /nfs/dbraw/zinc/20/87/80/616208780.db2.gz SMCDYEREIZTZAE-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000948245758 616209030 /nfs/dbraw/zinc/20/90/30/616209030.db2.gz SMCDYEREIZTZAE-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC000948245758 616209031 /nfs/dbraw/zinc/20/90/31/616209031.db2.gz SMCDYEREIZTZAE-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC000948245758 616209032 /nfs/dbraw/zinc/20/90/32/616209032.db2.gz SMCDYEREIZTZAE-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC000977923958 616211393 /nfs/dbraw/zinc/21/13/93/616211393.db2.gz VAUCRUIFXXTSCC-FQUUOJAGSA-N 2 1 281.400 -0.243 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000977923958 616211394 /nfs/dbraw/zinc/21/13/94/616211394.db2.gz VAUCRUIFXXTSCC-FQUUOJAGSA-N 2 1 281.400 -0.243 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000977923958 616211395 /nfs/dbraw/zinc/21/13/95/616211395.db2.gz VAUCRUIFXXTSCC-FQUUOJAGSA-N 2 1 281.400 -0.243 20 0 CBADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000948269795 616250944 /nfs/dbraw/zinc/25/09/44/616250944.db2.gz QPVADVULJRVQKF-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000948269795 616250945 /nfs/dbraw/zinc/25/09/45/616250945.db2.gz QPVADVULJRVQKF-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH+](CCO)CC1 ZINC000948269795 616250946 /nfs/dbraw/zinc/25/09/46/616250946.db2.gz QPVADVULJRVQKF-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH+](CCO)CC1 ZINC000948269795 616250947 /nfs/dbraw/zinc/25/09/47/616250947.db2.gz QPVADVULJRVQKF-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC3CC3)C2)C1 ZINC000968303538 616251427 /nfs/dbraw/zinc/25/14/27/616251427.db2.gz STAVHZSLVZCTFE-CHWSQXEVSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC3CC3)C2)C1 ZINC000968303538 616251428 /nfs/dbraw/zinc/25/14/28/616251428.db2.gz STAVHZSLVZCTFE-CHWSQXEVSA-N 2 1 267.373 -0.083 20 0 CBADMP CN1CCO[C@@H](C(=O)N[C@H]2C[N@@H+](CCCO)CC2(C)C)C1 ZINC000972991031 616253210 /nfs/dbraw/zinc/25/32/10/616253210.db2.gz CNOXLUBDTIQXDZ-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CCC[NH+](CCO)C3)C1 ZINC000981689459 616257592 /nfs/dbraw/zinc/25/75/92/616257592.db2.gz XVACSMZIUOSKSZ-ZDUSSCGKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCC[NH+](CCO)C3)C1 ZINC000981689459 616257593 /nfs/dbraw/zinc/25/75/93/616257593.db2.gz XVACSMZIUOSKSZ-ZDUSSCGKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2CC3(C2)CCC[N@H+](CCO)C3)C1 ZINC000981689459 616257594 /nfs/dbraw/zinc/25/75/94/616257594.db2.gz XVACSMZIUOSKSZ-ZDUSSCGKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CCO)C3)C1 ZINC000981689459 616257595 /nfs/dbraw/zinc/25/75/95/616257595.db2.gz XVACSMZIUOSKSZ-ZDUSSCGKSA-N 2 1 297.399 -0.766 20 0 CBADMP CN1CCO[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCF)C2)C1 ZINC000971268549 616258081 /nfs/dbraw/zinc/25/80/81/616258081.db2.gz WHMQXPFSFYQWLT-NEPJUHHUSA-N 2 1 273.352 -0.181 20 0 CBADMP CN1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCF)C2)C1 ZINC000971268549 616258082 /nfs/dbraw/zinc/25/80/82/616258082.db2.gz WHMQXPFSFYQWLT-NEPJUHHUSA-N 2 1 273.352 -0.181 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[NH+](CCO)CC2(C)C)C1 ZINC000977604291 616267552 /nfs/dbraw/zinc/26/75/52/616267552.db2.gz VSWIQHXXAMCDGO-NEPJUHHUSA-N 2 1 269.389 -0.243 20 0 CBADMP CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC000969595218 616281738 /nfs/dbraw/zinc/28/17/38/616281738.db2.gz PJVIQIXOJGCJJT-JHJVBQTASA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCO)CC2(C)C)C1 ZINC000977604298 616376343 /nfs/dbraw/zinc/37/63/43/616376343.db2.gz VSWIQHXXAMCDGO-NWDGAFQWSA-N 2 1 269.389 -0.243 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)C1 ZINC000977604298 616376347 /nfs/dbraw/zinc/37/63/47/616376347.db2.gz VSWIQHXXAMCDGO-NWDGAFQWSA-N 2 1 269.389 -0.243 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000962298693 616393093 /nfs/dbraw/zinc/39/30/93/616393093.db2.gz CBMCHBNQXQTLFN-CXTNEJHOSA-N 2 1 281.400 -0.243 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC000962298693 616393099 /nfs/dbraw/zinc/39/30/99/616393099.db2.gz CBMCHBNQXQTLFN-CXTNEJHOSA-N 2 1 281.400 -0.243 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC000962298693 616393104 /nfs/dbraw/zinc/39/31/04/616393104.db2.gz CBMCHBNQXQTLFN-CXTNEJHOSA-N 2 1 281.400 -0.243 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962297113 616464804 /nfs/dbraw/zinc/46/48/04/616464804.db2.gz KSLYPQWILUYARJ-ITGUQSILSA-N 2 1 279.384 -0.225 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC000958415451 616468633 /nfs/dbraw/zinc/46/86/33/616468633.db2.gz VEYBZNKNTAGEIZ-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944919731 616613693 /nfs/dbraw/zinc/61/36/93/616613693.db2.gz QGUDLHKOOQFVMJ-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948039940 616613812 /nfs/dbraw/zinc/61/38/12/616613812.db2.gz LQVAJVGXWXROQT-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962581147 616853579 /nfs/dbraw/zinc/85/35/79/616853579.db2.gz WNQKRWYWQNRMQK-CIQGVGRVSA-N 2 1 294.399 -0.737 20 0 CBADMP CO[C@H](C)C[N@H+]1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000980893585 617061696 /nfs/dbraw/zinc/06/16/96/617061696.db2.gz NIBMMLZAEJXYPW-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708852663 656194743 /nfs/dbraw/zinc/19/47/43/656194743.db2.gz LRUFLFYXMKNFLH-YVECIDJPSA-N 2 1 260.378 -0.075 20 0 CBADMP Cc1nccn1CC(=O)NCC[N@H+](C)CCOCCO ZINC000922114238 657993635 /nfs/dbraw/zinc/99/36/35/657993635.db2.gz RXKIZSUXOUJSNU-UHFFFAOYSA-N 2 1 284.360 -0.752 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)CCOCCO ZINC000922114238 657993661 /nfs/dbraw/zinc/99/36/61/657993661.db2.gz RXKIZSUXOUJSNU-UHFFFAOYSA-N 2 1 284.360 -0.752 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH2+]C[C@H]1C(F)F ZINC000923352616 658224463 /nfs/dbraw/zinc/22/44/63/658224463.db2.gz PFNJTEANGKFHQI-QWRGUYRKSA-N 2 1 281.347 -0.536 20 0 CBADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923384387 658247496 /nfs/dbraw/zinc/24/74/96/658247496.db2.gz GQXJPMUWZMOTBW-KBIXCLLPSA-N 2 1 295.305 -0.163 20 0 CBADMP C[C@H]1CC[N@@H+](CCN2C(=O)CN(C)C2=O)C[C@H]1C[NH3+] ZINC000923375657 658247781 /nfs/dbraw/zinc/24/77/81/658247781.db2.gz OMBWGDYPMSNMBL-WDEREUQCSA-N 2 1 268.361 -0.203 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000923484674 658304657 /nfs/dbraw/zinc/30/46/57/658304657.db2.gz AIRODVJQTCOYKO-JSGCOSHPSA-N 2 1 296.415 -0.264 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487222 658305125 /nfs/dbraw/zinc/30/51/25/658305125.db2.gz BCYDHZMWPPVDIR-QWRGUYRKSA-N 2 1 286.376 -0.482 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000923531414 658314535 /nfs/dbraw/zinc/31/45/35/658314535.db2.gz POBHAUOHCCQFIK-MXWKQRLJSA-N 2 1 261.391 -0.548 20 0 CBADMP NS(=O)(=O)C[C@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000923531358 658315768 /nfs/dbraw/zinc/31/57/68/658315768.db2.gz OWOWKETUCBTVCU-GARJFASQSA-N 2 1 261.391 -0.276 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)C1C[NH2+]C1 ZINC000923619595 658354979 /nfs/dbraw/zinc/35/49/79/658354979.db2.gz XTXLNIPBKNBRDX-MWLCHTKSSA-N 2 1 261.391 -0.440 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)C1C[NH2+]C1 ZINC000923619593 658356103 /nfs/dbraw/zinc/35/61/03/658356103.db2.gz XTXLNIPBKNBRDX-GXSJLCMTSA-N 2 1 261.391 -0.440 20 0 CBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923623573 658358175 /nfs/dbraw/zinc/35/81/75/658358175.db2.gz BCHCOEUDPBXQBD-LBPRGKRZSA-N 2 1 287.429 -0.048 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923622739 658359231 /nfs/dbraw/zinc/35/92/31/658359231.db2.gz PMRQOVYHJYVJTK-LBPRGKRZSA-N 2 1 290.433 -0.590 20 0 CBADMP CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1C[NH2+]C1 ZINC000923652106 658379850 /nfs/dbraw/zinc/37/98/50/658379850.db2.gz IERPNTFFJZYZLU-UHFFFAOYSA-N 2 1 263.407 -0.145 20 0 CBADMP C[NH+](C)CCn1nccc1C(=O)NCC[N@@H+](C)CCO ZINC000925005937 658749149 /nfs/dbraw/zinc/74/91/49/658749149.db2.gz RMYWLGUXPUYVEI-UHFFFAOYSA-N 2 1 283.376 -0.901 20 0 CBADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000929627412 659153652 /nfs/dbraw/zinc/15/36/52/659153652.db2.gz IYLUPIGMVTVOIJ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000929627412 659153655 /nfs/dbraw/zinc/15/36/55/659153655.db2.gz IYLUPIGMVTVOIJ-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CCO ZINC000925014186 658766261 /nfs/dbraw/zinc/76/62/61/658766261.db2.gz FCBLPKZHXNQLCW-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CCO ZINC000925014186 658766401 /nfs/dbraw/zinc/76/64/01/658766401.db2.gz FCBLPKZHXNQLCW-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CCO ZINC000925014186 658766507 /nfs/dbraw/zinc/76/65/07/658766507.db2.gz FCBLPKZHXNQLCW-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP OCCC[N@H+]1CCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925678529 658864726 /nfs/dbraw/zinc/86/47/26/658864726.db2.gz FPCMPWKKSDXQMB-OLZOCXBDSA-N 2 1 257.378 -0.589 20 0 CBADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000925668675 658864742 /nfs/dbraw/zinc/86/47/42/658864742.db2.gz JSINOSUWEYOSSX-PWSUYJOCSA-N 2 1 253.350 -0.109 20 0 CBADMP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925788026 658872412 /nfs/dbraw/zinc/87/24/12/658872412.db2.gz XNIBFJNWHHNCOL-KXNHARMFSA-N 2 1 255.362 -0.275 20 0 CBADMP C[C@H]1[C@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000928453591 659025978 /nfs/dbraw/zinc/02/59/78/659025978.db2.gz YBXNGTURJUOPJR-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@H]1[C@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000928453591 659025982 /nfs/dbraw/zinc/02/59/82/659025982.db2.gz YBXNGTURJUOPJR-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000928553098 659034975 /nfs/dbraw/zinc/03/49/75/659034975.db2.gz XJMBHMAKWVRYAB-ZDUSSCGKSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C1=CC[NH+](C)CC1 ZINC000930651950 659316759 /nfs/dbraw/zinc/31/67/59/659316759.db2.gz CVTVDRIXIWRDOE-WCQYABFASA-N 2 1 294.399 -0.427 20 0 CBADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C)C1=CC[NH+](C)CC1 ZINC000930651950 659316767 /nfs/dbraw/zinc/31/67/67/659316767.db2.gz CVTVDRIXIWRDOE-WCQYABFASA-N 2 1 294.399 -0.427 20 0 CBADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+]1C)C1=CC[N@H+](C)CC1 ZINC000930651950 659316770 /nfs/dbraw/zinc/31/67/70/659316770.db2.gz CVTVDRIXIWRDOE-WCQYABFASA-N 2 1 294.399 -0.427 20 0 CBADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+]1C)C1=CC[N@@H+](C)CC1 ZINC000930651950 659316777 /nfs/dbraw/zinc/31/67/77/659316777.db2.gz CVTVDRIXIWRDOE-WCQYABFASA-N 2 1 294.399 -0.427 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000063179795 656034396 /nfs/dbraw/zinc/03/43/96/656034396.db2.gz JNVVHOUCKWEMSS-VHSXEESVSA-N 2 1 255.318 -0.911 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000063179795 656034398 /nfs/dbraw/zinc/03/43/98/656034398.db2.gz JNVVHOUCKWEMSS-VHSXEESVSA-N 2 1 255.318 -0.911 20 0 CBADMP [NH3+]CCOCC[NH+]1CCN(c2ncccn2)CC1 ZINC000093232446 656060380 /nfs/dbraw/zinc/06/03/80/656060380.db2.gz NZLSFYHLDXNOGT-UHFFFAOYSA-N 2 1 251.334 -0.426 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225446214 656106701 /nfs/dbraw/zinc/10/67/01/656106701.db2.gz AIJARCWTQUZDEO-RKDXNWHRSA-N 2 1 283.294 -0.304 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000227392825 656108258 /nfs/dbraw/zinc/10/82/58/656108258.db2.gz ULQBURJLSDKKHO-TUAOUCFPSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@H]1C[NH3+] ZINC000253206818 656123577 /nfs/dbraw/zinc/12/35/77/656123577.db2.gz GRRGDZWRPRWWPP-VXGBXAGGSA-N 2 1 255.362 -0.238 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C[NH3+] ZINC000253206818 656123579 /nfs/dbraw/zinc/12/35/79/656123579.db2.gz GRRGDZWRPRWWPP-VXGBXAGGSA-N 2 1 255.362 -0.238 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000261562202 656124565 /nfs/dbraw/zinc/12/45/65/656124565.db2.gz GJHNJWXLPSTDOV-LLVKDONJSA-N 2 1 252.318 -0.314 20 0 CBADMP C[C@]1(C[N@H+](CCO)CCN2CCOCC2)CC[NH2+]C1 ZINC000261898329 656127313 /nfs/dbraw/zinc/12/73/13/656127313.db2.gz VMUQUSRQAOHRCV-AWEZNQCLSA-N 2 1 271.405 -0.388 20 0 CBADMP C[C@]1(C[N@@H+](CCO)CCN2CCOCC2)CC[NH2+]C1 ZINC000261898329 656127314 /nfs/dbraw/zinc/12/73/14/656127314.db2.gz VMUQUSRQAOHRCV-AWEZNQCLSA-N 2 1 271.405 -0.388 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)CC[NH2+]C)CC1 ZINC000262021363 656127710 /nfs/dbraw/zinc/12/77/10/656127710.db2.gz AMHBRVURRKMEEL-UHFFFAOYSA-N 2 1 284.404 -0.297 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000311156404 656145388 /nfs/dbraw/zinc/14/53/88/656145388.db2.gz OMAZSBGVGVMAAF-UPJWGTAASA-N 2 1 259.394 -0.392 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000311156401 656145793 /nfs/dbraw/zinc/14/57/93/656145793.db2.gz OMAZSBGVGVMAAF-AVGNSLFASA-N 2 1 259.394 -0.392 20 0 CBADMP CC[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CCOC)CC[C@@H]1[NH3+] ZINC000311686261 656146401 /nfs/dbraw/zinc/14/64/01/656146401.db2.gz JQTGMAMUYBJOEV-RDBSUJKOSA-N 2 1 273.421 -0.015 20 0 CBADMP CC[C@@H]1C[N@H+](C[C@@H](O)CN(C)CCOC)CC[C@@H]1[NH3+] ZINC000311686261 656146404 /nfs/dbraw/zinc/14/64/04/656146404.db2.gz JQTGMAMUYBJOEV-RDBSUJKOSA-N 2 1 273.421 -0.015 20 0 CBADMP CC[C@@H]1C[N@@H+](C[C@@H](O)CN(C)CCOC)CC[C@@H]1[NH3+] ZINC000311686261 656146408 /nfs/dbraw/zinc/14/64/08/656146408.db2.gz JQTGMAMUYBJOEV-RDBSUJKOSA-N 2 1 273.421 -0.015 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000311752070 656146425 /nfs/dbraw/zinc/14/64/25/656146425.db2.gz VBYIZVACTFDCOD-RDBSUJKOSA-N 2 1 273.421 -0.015 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000311752070 656146427 /nfs/dbraw/zinc/14/64/27/656146427.db2.gz VBYIZVACTFDCOD-RDBSUJKOSA-N 2 1 273.421 -0.015 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000311752070 656146430 /nfs/dbraw/zinc/14/64/30/656146430.db2.gz VBYIZVACTFDCOD-RDBSUJKOSA-N 2 1 273.421 -0.015 20 0 CBADMP COC(=O)N(C)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000701589954 656179509 /nfs/dbraw/zinc/17/95/09/656179509.db2.gz BCBAPIXSYPDENY-LLVKDONJSA-N 2 1 259.350 -0.269 20 0 CBADMP COC(=O)[C@](C)(O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702320217 656180338 /nfs/dbraw/zinc/18/03/38/656180338.db2.gz CKVNYGRSJURPLC-CYZMBNFOSA-N 2 1 256.346 -0.206 20 0 CBADMP COC(=O)[C@](C)(O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702320217 656180340 /nfs/dbraw/zinc/18/03/40/656180340.db2.gz CKVNYGRSJURPLC-CYZMBNFOSA-N 2 1 256.346 -0.206 20 0 CBADMP COC(=O)[C@](C)(O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702320217 656180343 /nfs/dbraw/zinc/18/03/43/656180343.db2.gz CKVNYGRSJURPLC-CYZMBNFOSA-N 2 1 256.346 -0.206 20 0 CBADMP COC(=O)[C@](C)(O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702320217 656180346 /nfs/dbraw/zinc/18/03/46/656180346.db2.gz CKVNYGRSJURPLC-CYZMBNFOSA-N 2 1 256.346 -0.206 20 0 CBADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702473905 656181223 /nfs/dbraw/zinc/18/12/23/656181223.db2.gz IOPDILVWKXRTFF-MELADBBJSA-N 2 1 272.389 -0.058 20 0 CBADMP COCCOC[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702473905 656181226 /nfs/dbraw/zinc/18/12/26/656181226.db2.gz IOPDILVWKXRTFF-MELADBBJSA-N 2 1 272.389 -0.058 20 0 CBADMP CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000702971460 656182450 /nfs/dbraw/zinc/18/24/50/656182450.db2.gz IBKDMFCPAJJKOP-OUAUKWLOSA-N 2 1 261.391 -0.263 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC000708547804 656193274 /nfs/dbraw/zinc/19/32/74/656193274.db2.gz MQELZUIKQUYVHI-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP COC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](C)C2)C[NH2+]CCO1 ZINC000710755083 656200570 /nfs/dbraw/zinc/20/05/70/656200570.db2.gz KZVDDPWCKSVNCY-DGCLKSJQSA-N 2 1 271.361 -0.941 20 0 CBADMP COC[C@@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000710741570 656200924 /nfs/dbraw/zinc/20/09/24/656200924.db2.gz HTNJLUDIZXSLOR-BXUZGUMPSA-N 2 1 283.372 -0.656 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710784759 656201716 /nfs/dbraw/zinc/20/17/16/656201716.db2.gz TUFAFQNKBOBBGS-OCCSQVGLSA-N 2 1 285.388 -0.408 20 0 CBADMP COC[C@]1(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)C[NH2+]CCO1 ZINC000710789904 656202301 /nfs/dbraw/zinc/20/23/01/656202301.db2.gz QTCOWUWWMZHWMI-DYEKYZERSA-N 2 1 285.388 -0.410 20 0 CBADMP COC[C@]1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[NH2+]CCO1 ZINC000710789905 656202826 /nfs/dbraw/zinc/20/28/26/656202826.db2.gz QTCOWUWWMZHWMI-OBJOEFQTSA-N 2 1 285.388 -0.410 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000710824761 656203402 /nfs/dbraw/zinc/20/34/02/656203402.db2.gz HSRPRMULLNAUIG-JSGCOSHPSA-N 2 1 285.388 -0.408 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710827569 656204760 /nfs/dbraw/zinc/20/47/60/656204760.db2.gz KOKCTFDEDZHPIF-AWEZNQCLSA-N 2 1 287.404 -0.161 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710827574 656204879 /nfs/dbraw/zinc/20/48/79/656204879.db2.gz KOKCTFDEDZHPIF-CQSZACIVSA-N 2 1 287.404 -0.161 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710829884 656204948 /nfs/dbraw/zinc/20/49/48/656204948.db2.gz PTVVVHRTIWKERA-GXTWGEPZSA-N 2 1 287.404 -0.162 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711318192 656207143 /nfs/dbraw/zinc/20/71/43/656207143.db2.gz UNFYQIMRQXEGMA-NEPJUHHUSA-N 2 1 268.405 -0.406 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711270157 656207293 /nfs/dbraw/zinc/20/72/93/656207293.db2.gz BKITUCOBQHKBKM-CYBMUJFWSA-N 2 1 282.432 -0.014 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH2+]CCC1(C)C ZINC000712581533 656210560 /nfs/dbraw/zinc/21/05/60/656210560.db2.gz AVCGAZLUQXIAJC-CYBMUJFWSA-N 2 1 273.421 -0.001 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000713426157 656212543 /nfs/dbraw/zinc/21/25/43/656212543.db2.gz UIUTUTNEZSMBLY-SFDCQRBFSA-N 2 1 278.400 -0.380 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CC[NH2+]CC1CC1 ZINC000717164603 656226616 /nfs/dbraw/zinc/22/66/16/656226616.db2.gz JKSRVJNQTOMIPG-ZDUSSCGKSA-N 2 1 268.405 -0.262 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C2OCCO2)C1 ZINC000719025955 656233783 /nfs/dbraw/zinc/23/37/83/656233783.db2.gz VHIKSIIQXWPSAC-VXGBXAGGSA-N 2 1 258.362 -0.006 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C2OCCO2)C1 ZINC000719025955 656233784 /nfs/dbraw/zinc/23/37/84/656233784.db2.gz VHIKSIIQXWPSAC-VXGBXAGGSA-N 2 1 258.362 -0.006 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719025955 656233788 /nfs/dbraw/zinc/23/37/88/656233788.db2.gz VHIKSIIQXWPSAC-VXGBXAGGSA-N 2 1 258.362 -0.006 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719025955 656233791 /nfs/dbraw/zinc/23/37/91/656233791.db2.gz VHIKSIIQXWPSAC-VXGBXAGGSA-N 2 1 258.362 -0.006 20 0 CBADMP C[C@H]1CN(C(=S)NCCC[NH+](C)C)CC[N@@H+]1CCO ZINC000777498299 656239868 /nfs/dbraw/zinc/23/98/68/656239868.db2.gz JXEKGNFHWUIEDW-LBPRGKRZSA-N 2 1 288.461 -0.189 20 0 CBADMP C[C@H]1CN(C(=S)NCCC[NH+](C)C)CC[N@H+]1CCO ZINC000777498299 656239869 /nfs/dbraw/zinc/23/98/69/656239869.db2.gz JXEKGNFHWUIEDW-LBPRGKRZSA-N 2 1 288.461 -0.189 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)C1 ZINC000884787519 656255005 /nfs/dbraw/zinc/25/50/05/656255005.db2.gz UWNSOVKUIHZVLR-WOPDTQHZSA-N 2 1 282.388 -0.465 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884787654 656255329 /nfs/dbraw/zinc/25/53/29/656255329.db2.gz YKWQAAXGEZAPIA-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C[NH2+]1 ZINC000884817121 656255930 /nfs/dbraw/zinc/25/59/30/656255930.db2.gz JSJNBYNNFSPWFL-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C[NH2+]1 ZINC000884817121 656255932 /nfs/dbraw/zinc/25/59/32/656255932.db2.gz JSJNBYNNFSPWFL-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC[C@@H]21 ZINC000885192861 656260298 /nfs/dbraw/zinc/26/02/98/656260298.db2.gz KLJVVFVYTPKPMG-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000897440084 656293093 /nfs/dbraw/zinc/29/30/93/656293093.db2.gz MPVLAQMGVMJNLH-YPMHNXCESA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](C)CCN1C ZINC000896560803 656290305 /nfs/dbraw/zinc/29/03/05/656290305.db2.gz TVRLEDPSCZTCHG-YNEHKIRRSA-N 2 1 268.405 -0.311 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](C)CCN1C ZINC000896560803 656290306 /nfs/dbraw/zinc/29/03/06/656290306.db2.gz TVRLEDPSCZTCHG-YNEHKIRRSA-N 2 1 268.405 -0.311 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](C)CCN1C ZINC000896560803 656290308 /nfs/dbraw/zinc/29/03/08/656290308.db2.gz TVRLEDPSCZTCHG-YNEHKIRRSA-N 2 1 268.405 -0.311 20 0 CBADMP C[NH2+]C[C@](C)(O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507213 656322211 /nfs/dbraw/zinc/32/22/11/656322211.db2.gz RCTHGJKPNOHRIJ-XHSDSOJGSA-N 3 1 296.459 -0.143 20 0 CBADMP C[NH2+]C[C@](C)(O)CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903507213 656322217 /nfs/dbraw/zinc/32/22/17/656322217.db2.gz RCTHGJKPNOHRIJ-XHSDSOJGSA-N 2 1 296.459 -0.143 20 0 CBADMP COC(=O)C[C@H]1C(=O)NCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904302929 656324493 /nfs/dbraw/zinc/32/44/93/656324493.db2.gz ZYJSBMWDMVETMY-AEJSXWLSSA-N 2 1 255.318 -0.913 20 0 CBADMP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904302929 656324496 /nfs/dbraw/zinc/32/44/96/656324496.db2.gz ZYJSBMWDMVETMY-AEJSXWLSSA-N 2 1 255.318 -0.913 20 0 CBADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1S(C)(=O)=O ZINC000904330105 656324779 /nfs/dbraw/zinc/32/47/79/656324779.db2.gz ZQKDIIKSHPYSRD-GARJFASQSA-N 2 1 261.391 -0.311 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904380403 656326081 /nfs/dbraw/zinc/32/60/81/656326081.db2.gz BRSJIPAJAUUYDX-SDDRHHMPSA-N 2 1 275.418 -0.015 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)c(=O)n(C)c1=O ZINC000904405477 656326589 /nfs/dbraw/zinc/32/65/89/656326589.db2.gz JUCZACKAJNFPGY-JTQLQIEISA-N 2 1 266.345 -0.745 20 0 CBADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)CC[NH2+]1 ZINC000904429184 656327049 /nfs/dbraw/zinc/32/70/49/656327049.db2.gz YRUDBTYWHKEEDO-WOPDTQHZSA-N 2 1 275.418 -0.015 20 0 CBADMP Cn1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(=O)n(C)c1=O ZINC000904421212 656327170 /nfs/dbraw/zinc/32/71/70/656327170.db2.gz SWTGUTLTZFGVGV-WDEREUQCSA-N 2 1 278.356 -0.875 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000904959603 656330837 /nfs/dbraw/zinc/33/08/37/656330837.db2.gz RQRXNJSOUPHZKA-UUIJZJDISA-N 2 1 294.399 -0.655 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000904962280 656331171 /nfs/dbraw/zinc/33/11/71/656331171.db2.gz ACXGJEKGVPCQRQ-UHIISALHSA-N 2 1 282.388 -0.798 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)C[C@]2(C)C1 ZINC000904961966 656331340 /nfs/dbraw/zinc/33/13/40/656331340.db2.gz YCMPIYWUQGRRJU-JMSVASOKSA-N 2 1 294.399 -0.796 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)C2(O)CCCC2)CC1 ZINC000905113186 656339814 /nfs/dbraw/zinc/33/98/14/656339814.db2.gz ZKILBNYETLHSEB-ZDUSSCGKSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@H]1C[NH2+]CCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905329710 656349433 /nfs/dbraw/zinc/34/94/33/656349433.db2.gz MHOULXAJXDVIAE-JTQLQIEISA-N 2 1 261.391 -0.391 20 0 CBADMP O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)C1(O)CCC1 ZINC000905340946 656349794 /nfs/dbraw/zinc/34/97/94/656349794.db2.gz KFXKTNNVRJJTAP-CYBMUJFWSA-N 2 1 272.389 -0.301 20 0 CBADMP O[C@H](C[NH2+]C[C@H](O)C1(O)CCC1)C[NH+]1CCCCC1 ZINC000905343289 656350728 /nfs/dbraw/zinc/35/07/28/656350728.db2.gz YQEQMMKVSSTEDK-OLZOCXBDSA-N 2 1 272.389 -0.301 20 0 CBADMP O[C@H](C[NH2+]C[C@@H](O)C1(O)CCC1)C[NH+]1CCCCC1 ZINC000905343287 656350743 /nfs/dbraw/zinc/35/07/43/656350743.db2.gz YQEQMMKVSSTEDK-CHWSQXEVSA-N 2 1 272.389 -0.301 20 0 CBADMP O[C@H](C[NH2+]CCO[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000905606162 656363704 /nfs/dbraw/zinc/36/37/04/656363704.db2.gz DEJDHCFPASWDGT-OLZOCXBDSA-N 2 1 258.362 -0.162 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000906410849 656385884 /nfs/dbraw/zinc/38/58/84/656385884.db2.gz MKGHJVSYGVNPSN-CYBMUJFWSA-N 2 1 280.416 -0.167 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000906410849 656385887 /nfs/dbraw/zinc/38/58/87/656385887.db2.gz MKGHJVSYGVNPSN-CYBMUJFWSA-N 2 1 280.416 -0.167 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000906410849 656385890 /nfs/dbraw/zinc/38/58/90/656385890.db2.gz MKGHJVSYGVNPSN-CYBMUJFWSA-N 2 1 280.416 -0.167 20 0 CBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000906784596 656400748 /nfs/dbraw/zinc/40/07/48/656400748.db2.gz DAYDQGNLJHBQJN-LBPRGKRZSA-N 2 1 276.340 -0.096 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996302076 656407486 /nfs/dbraw/zinc/40/74/86/656407486.db2.gz VZHKZFDLYIOUEA-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC([NH2+]CCO)CC1 ZINC000996619005 656447741 /nfs/dbraw/zinc/44/77/41/656447741.db2.gz JCUPSFNNIBPOKO-KBPBESRZSA-N 2 1 297.399 -0.578 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996647853 656448835 /nfs/dbraw/zinc/44/88/35/656448835.db2.gz QKBUVFIQFRVKLA-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996647853 656448837 /nfs/dbraw/zinc/44/88/37/656448837.db2.gz QKBUVFIQFRVKLA-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1)C(N)=O ZINC000996723362 656454501 /nfs/dbraw/zinc/45/45/01/656454501.db2.gz MAOPKGOLEDGFJK-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]CCO)CC1 ZINC000996802401 656456950 /nfs/dbraw/zinc/45/69/50/656456950.db2.gz PKZMDMIBBRUWGI-UHFFFAOYSA-N 2 1 266.345 -0.236 20 0 CBADMP C[C@H]([NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1)C(N)=O ZINC000996997081 656463588 /nfs/dbraw/zinc/46/35/88/656463588.db2.gz DZBGAFPVZDGQMJ-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC000997297386 656471738 /nfs/dbraw/zinc/47/17/38/656471738.db2.gz FRGDVZUDEUSHOZ-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000997300525 656472745 /nfs/dbraw/zinc/47/27/45/656472745.db2.gz WNSXDPPHLMQSKZ-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC000997422406 656477131 /nfs/dbraw/zinc/47/71/31/656477131.db2.gz XSFOXBTUIOTBGF-YPMHNXCESA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](CCO)CC1 ZINC000997530267 656485721 /nfs/dbraw/zinc/48/57/21/656485721.db2.gz IYYNEMNPABZKNO-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCO)CC1 ZINC000997530267 656485725 /nfs/dbraw/zinc/48/57/25/656485725.db2.gz IYYNEMNPABZKNO-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP Cn1cncc1CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907309003 656486492 /nfs/dbraw/zinc/48/64/92/656486492.db2.gz YIPOBFBYAGAOSP-YPMHNXCESA-N 2 1 266.345 -0.466 20 0 CBADMP Cn1cncc1CCNC(=O)[C@]1(C)C[C@@H](O)CN1C ZINC000907309003 656486497 /nfs/dbraw/zinc/48/64/97/656486497.db2.gz YIPOBFBYAGAOSP-YPMHNXCESA-N 2 1 266.345 -0.466 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC000997868980 656500595 /nfs/dbraw/zinc/50/05/95/656500595.db2.gz XSFOXBTUIOTBGF-WCQYABFASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000907516245 656518313 /nfs/dbraw/zinc/51/83/13/656518313.db2.gz UAUSFKKQTQTHBA-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000907516245 656518317 /nfs/dbraw/zinc/51/83/17/656518317.db2.gz UAUSFKKQTQTHBA-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H](O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000907515558 656518795 /nfs/dbraw/zinc/51/87/95/656518795.db2.gz MWLQHPMIILNMEF-JHJVBQTASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000907515558 656518803 /nfs/dbraw/zinc/51/88/03/656518803.db2.gz MWLQHPMIILNMEF-JHJVBQTASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000907515558 656518808 /nfs/dbraw/zinc/51/88/08/656518808.db2.gz MWLQHPMIILNMEF-JHJVBQTASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000907515558 656518813 /nfs/dbraw/zinc/51/88/13/656518813.db2.gz MWLQHPMIILNMEF-JHJVBQTASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H]1CN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC[N@@H+]1CCO ZINC000907542279 656523109 /nfs/dbraw/zinc/52/31/09/656523109.db2.gz BLVWLGXJLWULJN-ZFWWWQNUSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@H]1CN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC[N@H+]1CCO ZINC000907542279 656523113 /nfs/dbraw/zinc/52/31/13/656523113.db2.gz BLVWLGXJLWULJN-ZFWWWQNUSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@H]1CN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC[NH+]1CCO ZINC000907542279 656523117 /nfs/dbraw/zinc/52/31/17/656523117.db2.gz BLVWLGXJLWULJN-ZFWWWQNUSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@H]1CN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC[NH+]1CCO ZINC000907542279 656523123 /nfs/dbraw/zinc/52/31/23/656523123.db2.gz BLVWLGXJLWULJN-ZFWWWQNUSA-N 2 1 299.415 -0.642 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCN1CCCOCC1 ZINC000907614407 656540166 /nfs/dbraw/zinc/54/01/66/656540166.db2.gz YCVIUQIIUVMAGO-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000907619017 656542355 /nfs/dbraw/zinc/54/23/55/656542355.db2.gz YMVCZEOWJNTONX-UHFFFAOYSA-N 2 1 298.431 -0.682 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000907619017 656542364 /nfs/dbraw/zinc/54/23/64/656542364.db2.gz YMVCZEOWJNTONX-UHFFFAOYSA-N 2 1 298.431 -0.682 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000907619017 656542370 /nfs/dbraw/zinc/54/23/70/656542370.db2.gz YMVCZEOWJNTONX-UHFFFAOYSA-N 2 1 298.431 -0.682 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]CCO)C1 ZINC000998535732 656544717 /nfs/dbraw/zinc/54/47/17/656544717.db2.gz PMDSVNFCMHKTHL-MCIGGMRASA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1CC2(C1)CCN(C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)C2 ZINC000907762549 656570501 /nfs/dbraw/zinc/57/05/01/656570501.db2.gz FRHHHXKHZVHNSH-DGCLKSJQSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000907780435 656574559 /nfs/dbraw/zinc/57/45/59/656574559.db2.gz FBBLMYUKFVSGLG-AEGPPILISA-N 2 1 299.415 -0.643 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC000998734584 656576644 /nfs/dbraw/zinc/57/66/44/656576644.db2.gz XPIIYTGMGFJYDE-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)C[C@H]2C1 ZINC000907804795 656582232 /nfs/dbraw/zinc/58/22/32/656582232.db2.gz JLWXYZTUYIZMKH-MBNYWOFBSA-N 2 1 279.384 -0.273 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)O1 ZINC000999497619 656630744 /nfs/dbraw/zinc/63/07/44/656630744.db2.gz RPJRBHOLPBLSJY-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)O1 ZINC000999497619 656630750 /nfs/dbraw/zinc/63/07/50/656630750.db2.gz RPJRBHOLPBLSJY-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)no1 ZINC000999560747 656632786 /nfs/dbraw/zinc/63/27/86/656632786.db2.gz LFJYLWFPKQXZLX-LLVKDONJSA-N 2 1 296.371 -0.077 20 0 CBADMP CCN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)[C@H](C)C1 ZINC000908136247 656653488 /nfs/dbraw/zinc/65/34/88/656653488.db2.gz BKDVZRCFDJORJH-BZPMIXESSA-N 2 1 269.389 -0.006 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000908204397 656670082 /nfs/dbraw/zinc/67/00/82/656670082.db2.gz VFABHNIWLMLRQX-RMRHIDDWSA-N 2 1 297.399 -0.891 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908204397 656670091 /nfs/dbraw/zinc/67/00/91/656670091.db2.gz VFABHNIWLMLRQX-RMRHIDDWSA-N 2 1 297.399 -0.891 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000908204397 656670099 /nfs/dbraw/zinc/67/00/99/656670099.db2.gz VFABHNIWLMLRQX-RMRHIDDWSA-N 2 1 297.399 -0.891 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001000020861 656681289 /nfs/dbraw/zinc/68/12/89/656681289.db2.gz QREWMDMEJYTBSJ-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001000462958 656718161 /nfs/dbraw/zinc/71/81/61/656718161.db2.gz UOZYCEITWXBREL-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001000520002 656732838 /nfs/dbraw/zinc/73/28/38/656732838.db2.gz BFYZBEDQNWLRCR-ZDUSSCGKSA-N 2 1 294.399 -0.425 20 0 CBADMP CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001000520002 656732844 /nfs/dbraw/zinc/73/28/44/656732844.db2.gz BFYZBEDQNWLRCR-ZDUSSCGKSA-N 2 1 294.399 -0.425 20 0 CBADMP CNC(=O)C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001000520002 656732850 /nfs/dbraw/zinc/73/28/50/656732850.db2.gz BFYZBEDQNWLRCR-ZDUSSCGKSA-N 2 1 294.399 -0.425 20 0 CBADMP CNC(=O)C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001000520002 656732857 /nfs/dbraw/zinc/73/28/57/656732857.db2.gz BFYZBEDQNWLRCR-ZDUSSCGKSA-N 2 1 294.399 -0.425 20 0 CBADMP C[NH+](C)CCONC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908527458 656741635 /nfs/dbraw/zinc/74/16/35/656741635.db2.gz FNDGBKGHNQNSGG-LBPRGKRZSA-N 2 1 259.350 -0.557 20 0 CBADMP CN1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000908539880 656745439 /nfs/dbraw/zinc/74/54/39/656745439.db2.gz DIAHUNXZCWGVDB-GUTXKFCHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000908539880 656745443 /nfs/dbraw/zinc/74/54/43/656745443.db2.gz DIAHUNXZCWGVDB-GUTXKFCHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000908539880 656745455 /nfs/dbraw/zinc/74/54/55/656745455.db2.gz DIAHUNXZCWGVDB-GUTXKFCHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000908539880 656745465 /nfs/dbraw/zinc/74/54/65/656745465.db2.gz DIAHUNXZCWGVDB-GUTXKFCHSA-N 2 1 299.415 -0.596 20 0 CBADMP CN1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000908539877 656745645 /nfs/dbraw/zinc/74/56/45/656745645.db2.gz DHKKOVIXSCKRNL-GZBFAFLISA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000908539877 656745659 /nfs/dbraw/zinc/74/56/59/656745659.db2.gz DHKKOVIXSCKRNL-GZBFAFLISA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000908539877 656745667 /nfs/dbraw/zinc/74/56/67/656745667.db2.gz DHKKOVIXSCKRNL-GZBFAFLISA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000908539877 656745673 /nfs/dbraw/zinc/74/56/73/656745673.db2.gz DHKKOVIXSCKRNL-GZBFAFLISA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000687714 656759298 /nfs/dbraw/zinc/75/92/98/656759298.db2.gz HMPKOMLQPDHLNQ-NWDGAFQWSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000686152 656759600 /nfs/dbraw/zinc/75/96/00/656759600.db2.gz ALXIIRDLWDIYGN-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001001278298 656806744 /nfs/dbraw/zinc/80/67/44/656806744.db2.gz JWHVVFSVUIKVJJ-OCCSQVGLSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001001278298 656806746 /nfs/dbraw/zinc/80/67/46/656806746.db2.gz JWHVVFSVUIKVJJ-OCCSQVGLSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001001446695 656811472 /nfs/dbraw/zinc/81/14/72/656811472.db2.gz RTVQEUJMQYMNTF-AAEUAGOBSA-N 2 1 294.399 -0.440 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001001446695 656811475 /nfs/dbraw/zinc/81/14/75/656811475.db2.gz RTVQEUJMQYMNTF-AAEUAGOBSA-N 2 1 294.399 -0.440 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001001446695 656811476 /nfs/dbraw/zinc/81/14/76/656811476.db2.gz RTVQEUJMQYMNTF-AAEUAGOBSA-N 2 1 294.399 -0.440 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001001446695 656811480 /nfs/dbraw/zinc/81/14/80/656811480.db2.gz RTVQEUJMQYMNTF-AAEUAGOBSA-N 2 1 294.399 -0.440 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[N@@H+](C)C1 ZINC000910413486 656857338 /nfs/dbraw/zinc/85/73/38/656857338.db2.gz LUBMWDLHDHWXEF-GFCCVEGCSA-N 2 1 295.383 -0.355 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)CC[N@@H+]1C ZINC001003492160 656859540 /nfs/dbraw/zinc/85/95/40/656859540.db2.gz JNXORYIRWMOCSX-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)CC[N@H+]1C ZINC001003492160 656859543 /nfs/dbraw/zinc/85/95/43/656859543.db2.gz JNXORYIRWMOCSX-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001003625633 656865480 /nfs/dbraw/zinc/86/54/80/656865480.db2.gz HXJHZIVQKYDZSK-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001003625633 656865481 /nfs/dbraw/zinc/86/54/81/656865481.db2.gz HXJHZIVQKYDZSK-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004150233 656881468 /nfs/dbraw/zinc/88/14/68/656881468.db2.gz QRONHAAIQQJLMP-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP O=C(C[NH+]1CCCC1)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001004147569 656881583 /nfs/dbraw/zinc/88/15/83/656881583.db2.gz LMGUZLNLHJIVTH-ZDUSSCGKSA-N 2 1 294.399 -0.449 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004147029 656881604 /nfs/dbraw/zinc/88/16/04/656881604.db2.gz CJRQFLHVZWIPAP-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC001004184054 656882584 /nfs/dbraw/zinc/88/25/84/656882584.db2.gz BXEPALMATYEOGV-OCCSQVGLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC001004184054 656882586 /nfs/dbraw/zinc/88/25/86/656882586.db2.gz BXEPALMATYEOGV-OCCSQVGLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000910693267 656884400 /nfs/dbraw/zinc/88/44/00/656884400.db2.gz RXJZRDVKKWYTCM-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000910693267 656884403 /nfs/dbraw/zinc/88/44/03/656884403.db2.gz RXJZRDVKKWYTCM-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C1CC1 ZINC000910699610 656885491 /nfs/dbraw/zinc/88/54/91/656885491.db2.gz NHNPRRBSARAVDT-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C1CC1 ZINC000910699610 656885492 /nfs/dbraw/zinc/88/54/92/656885492.db2.gz NHNPRRBSARAVDT-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000910699610 656885495 /nfs/dbraw/zinc/88/54/95/656885495.db2.gz NHNPRRBSARAVDT-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000910699610 656885496 /nfs/dbraw/zinc/88/54/96/656885496.db2.gz NHNPRRBSARAVDT-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CCN1CC)[C@@H]1CC[N@@H+](C)C1 ZINC000910735887 656887146 /nfs/dbraw/zinc/88/71/46/656887146.db2.gz GWIHLOUZHGBJPL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[NH+]1CC)[C@@H]1CC[N@H+](C)C1 ZINC000910735887 656887147 /nfs/dbraw/zinc/88/71/47/656887147.db2.gz GWIHLOUZHGBJPL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[NH+]1CC)[C@@H]1CC[N@@H+](C)C1 ZINC000910735887 656887150 /nfs/dbraw/zinc/88/71/50/656887150.db2.gz GWIHLOUZHGBJPL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@H+]1CC)[C@@H]1CC[NH+](C)C1 ZINC000910735887 656887155 /nfs/dbraw/zinc/88/71/55/656887155.db2.gz GWIHLOUZHGBJPL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000910731184 656887247 /nfs/dbraw/zinc/88/72/47/656887247.db2.gz UTQHVIOMWRSOHI-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000910731184 656887248 /nfs/dbraw/zinc/88/72/48/656887248.db2.gz UTQHVIOMWRSOHI-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000910731184 656887250 /nfs/dbraw/zinc/88/72/50/656887250.db2.gz UTQHVIOMWRSOHI-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000910731184 656887252 /nfs/dbraw/zinc/88/72/52/656887252.db2.gz UTQHVIOMWRSOHI-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000910776186 656891427 /nfs/dbraw/zinc/89/14/27/656891427.db2.gz UMMPDXDLGJSLIU-UHFFFAOYSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000910776186 656891428 /nfs/dbraw/zinc/89/14/28/656891428.db2.gz UMMPDXDLGJSLIU-UHFFFAOYSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](CCO)CC1 ZINC001005212242 656896347 /nfs/dbraw/zinc/89/63/47/656896347.db2.gz MMBFJGUNCRBPRP-ZDUSSCGKSA-N 2 1 285.388 -0.768 20 0 CBADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCO)CC1 ZINC001005212242 656896348 /nfs/dbraw/zinc/89/63/48/656896348.db2.gz MMBFJGUNCRBPRP-ZDUSSCGKSA-N 2 1 285.388 -0.768 20 0 CBADMP C[C@H](O)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001005209065 656896628 /nfs/dbraw/zinc/89/66/28/656896628.db2.gz KCYDSIAWVJMTOO-GXTWGEPZSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@H](O)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001005209065 656896629 /nfs/dbraw/zinc/89/66/29/656896629.db2.gz KCYDSIAWVJMTOO-GXTWGEPZSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)[C@H]1CCC[NH+]1C ZINC000910931049 656902699 /nfs/dbraw/zinc/90/26/99/656902699.db2.gz MVAILHIIZPGNCP-YNEHKIRRSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)[C@H]1CCC[NH+]1C ZINC000910931049 656902711 /nfs/dbraw/zinc/90/27/11/656902711.db2.gz MVAILHIIZPGNCP-YNEHKIRRSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000910931049 656902721 /nfs/dbraw/zinc/90/27/21/656902721.db2.gz MVAILHIIZPGNCP-YNEHKIRRSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)[C@H]1CCC[N@H+]1C ZINC000910931049 656902728 /nfs/dbraw/zinc/90/27/28/656902728.db2.gz MVAILHIIZPGNCP-YNEHKIRRSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000911006622 656927930 /nfs/dbraw/zinc/92/79/30/656927930.db2.gz GFRZISDEQLWCKK-GRYCIOLGSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000911007928 656929035 /nfs/dbraw/zinc/92/90/35/656929035.db2.gz LFCLZQSFQSMWNL-MROQNXINSA-N 2 1 296.415 -0.443 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC[N@H+]1C ZINC000911007405 656929361 /nfs/dbraw/zinc/92/93/61/656929361.db2.gz JPWMHDPFOGYYNQ-IJLUTSLNSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000911016236 656931290 /nfs/dbraw/zinc/93/12/90/656931290.db2.gz XJGQNWIQGXFKGA-FRRDWIJNSA-N 2 1 296.415 -0.441 20 0 CBADMP CC1(C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1[NH3+] ZINC000911072240 656939975 /nfs/dbraw/zinc/93/99/75/656939975.db2.gz HOUCSAIRBNKHKT-PWSUYJOCSA-N 2 1 294.399 -0.465 20 0 CBADMP CNC(=O)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001006402555 656945169 /nfs/dbraw/zinc/94/51/69/656945169.db2.gz XOOILMYFBSLNIW-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006402555 656945172 /nfs/dbraw/zinc/94/51/72/656945172.db2.gz XOOILMYFBSLNIW-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CC(N)=O)CC1 ZINC001006408993 656945207 /nfs/dbraw/zinc/94/52/07/656945207.db2.gz YFQPVMDWYNNLSQ-UHFFFAOYSA-N 2 1 282.388 -0.510 20 0 CBADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC001006403311 656945249 /nfs/dbraw/zinc/94/52/49/656945249.db2.gz ZJXLOXBJPHDCHF-NSHDSACASA-N 2 1 282.388 -0.654 20 0 CBADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC001006403311 656945257 /nfs/dbraw/zinc/94/52/57/656945257.db2.gz ZJXLOXBJPHDCHF-NSHDSACASA-N 2 1 282.388 -0.654 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC[NH+](CCO)CC2)C1 ZINC001006438013 656948401 /nfs/dbraw/zinc/94/84/01/656948401.db2.gz TWWAKDICZHAZMO-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC[NH+](CCO)CC2)C1 ZINC001006438013 656948409 /nfs/dbraw/zinc/94/84/09/656948409.db2.gz TWWAKDICZHAZMO-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911138272 656959953 /nfs/dbraw/zinc/95/99/53/656959953.db2.gz MFZJYGRGWNBJFO-PWSUYJOCSA-N 2 1 293.371 -0.721 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911185677 656975563 /nfs/dbraw/zinc/97/55/63/656975563.db2.gz BLSVEEDBZFKYLT-QNWHQSFQSA-N 2 1 296.415 -0.158 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911187200 656976403 /nfs/dbraw/zinc/97/64/03/656976403.db2.gz NFNBVGSLWKTWIC-IJLUTSLNSA-N 2 1 284.404 -0.443 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[N@@H+](C)C1CC1 ZINC000911206600 656984468 /nfs/dbraw/zinc/98/44/68/656984468.db2.gz QZRKEQGPPTVCKB-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)[N@@H+](C)C1CC1 ZINC000911206657 656985047 /nfs/dbraw/zinc/98/50/47/656985047.db2.gz RVUAOJDPJNVUFJ-CMPLNLGQSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)[N@@H+](C)C1CC1 ZINC000911206019 656985151 /nfs/dbraw/zinc/98/51/51/656985151.db2.gz OPINTJHRGBUMCW-WOPDTQHZSA-N 2 1 296.415 -0.443 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000911215679 656986965 /nfs/dbraw/zinc/98/69/65/656986965.db2.gz RCQOBBBORPEXRO-YNEHKIRRSA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC000911217613 656988444 /nfs/dbraw/zinc/98/84/44/656988444.db2.gz GIDQOZIPMKHTGQ-YPMHNXCESA-N 2 1 294.399 -0.297 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000911222277 656991141 /nfs/dbraw/zinc/99/11/41/656991141.db2.gz BYTWKXKMVZAHJO-LLVKDONJSA-N 2 1 280.372 -0.806 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C1CCCC1 ZINC000911236239 656993567 /nfs/dbraw/zinc/99/35/67/656993567.db2.gz NOYRBKSHCATZGJ-HAQNSBGRSA-N 2 1 296.415 -0.170 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911254980 656998915 /nfs/dbraw/zinc/99/89/15/656998915.db2.gz IUCSRVXGXGNRGZ-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000911268004 657003088 /nfs/dbraw/zinc/00/30/88/657003088.db2.gz SSOXJHQYPBPDPD-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000911268719 657003248 /nfs/dbraw/zinc/00/32/48/657003248.db2.gz FGFZNSHDQWCMAN-YVECIDJPSA-N 2 1 294.399 -0.547 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911270038 657004570 /nfs/dbraw/zinc/00/45/70/657004570.db2.gz GWNFFYAOPTUSNV-UHFFFAOYSA-N 2 1 284.404 -0.440 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000911274748 657006975 /nfs/dbraw/zinc/00/69/75/657006975.db2.gz ROXNREYNFVHLNZ-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000911274748 657006981 /nfs/dbraw/zinc/00/69/81/657006981.db2.gz ROXNREYNFVHLNZ-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C[C@]2(C)C1 ZINC000911273885 657007071 /nfs/dbraw/zinc/00/70/71/657007071.db2.gz METJWWOTWQJSPU-JMSVASOKSA-N 2 1 294.399 -0.750 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000911274690 657007108 /nfs/dbraw/zinc/00/71/08/657007108.db2.gz QPAHWUREPRQWMV-GFCCVEGCSA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911279045 657007659 /nfs/dbraw/zinc/00/76/59/657007659.db2.gz AVHSNIIRNSGYEW-JTQLQIEISA-N 2 1 270.377 -0.702 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000911282662 657009820 /nfs/dbraw/zinc/00/98/20/657009820.db2.gz VVCSRJCLWVKUAR-RYUDHWBXSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000911282662 657009831 /nfs/dbraw/zinc/00/98/31/657009831.db2.gz VVCSRJCLWVKUAR-RYUDHWBXSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911294709 657012835 /nfs/dbraw/zinc/01/28/35/657012835.db2.gz WDXSBQPEYDMDAQ-GFCCVEGCSA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911296323 657013114 /nfs/dbraw/zinc/01/31/14/657013114.db2.gz LNTZKCNAEVZYRA-LLVKDONJSA-N 2 1 284.404 -0.312 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911305051 657016527 /nfs/dbraw/zinc/01/65/27/657016527.db2.gz FDWVXRMRDBETPT-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911314122 657018557 /nfs/dbraw/zinc/01/85/57/657018557.db2.gz WWZJYJNDGSZSGB-UHFFFAOYSA-N 2 1 284.404 -0.312 20 0 CBADMP 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 657027902 /nfs/dbraw/zinc/02/79/02/657027902.db2.gz FPPIMJHUKBEYSC-NWJSVONSSA-N 2 1 294.399 -0.879 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000911365132 657028126 /nfs/dbraw/zinc/02/81/26/657028126.db2.gz BUISMGMEMZESPA-GRYCIOLGSA-N 2 1 282.388 -0.737 20 0 CBADMP 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 657028650 /nfs/dbraw/zinc/02/86/50/657028650.db2.gz BYWOCDHBPNUXPN-YVECIDJPSA-N 2 1 296.415 -0.491 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911370118 657030220 /nfs/dbraw/zinc/03/02/20/657030220.db2.gz PENAEYIJPCKGGJ-JHJVBQTASA-N 2 1 296.415 -0.441 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000911373614 657030254 /nfs/dbraw/zinc/03/02/54/657030254.db2.gz HOFDTZLGAPHNEH-VXGBXAGGSA-N 2 1 284.404 -0.443 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911370357 657030379 /nfs/dbraw/zinc/03/03/79/657030379.db2.gz XYCURYHRJOCDGE-FRRDWIJNSA-N 2 1 296.415 -0.489 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911375191 657031095 /nfs/dbraw/zinc/03/10/95/657031095.db2.gz REQJOWRTTXQCFS-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001008278250 657035556 /nfs/dbraw/zinc/03/55/56/657035556.db2.gz BZAWTKNMVYJBPQ-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001008278250 657035561 /nfs/dbraw/zinc/03/55/61/657035561.db2.gz BZAWTKNMVYJBPQ-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001008278250 657035568 /nfs/dbraw/zinc/03/55/68/657035568.db2.gz BZAWTKNMVYJBPQ-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001008278250 657035577 /nfs/dbraw/zinc/03/55/77/657035577.db2.gz BZAWTKNMVYJBPQ-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911488394 657055422 /nfs/dbraw/zinc/05/54/22/657055422.db2.gz YRCQYHWFYGUEHG-AGIUHOORSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911488090 657055452 /nfs/dbraw/zinc/05/54/52/657055452.db2.gz HUWJPFNOMTWZKQ-WOPDTQHZSA-N 2 1 282.388 -0.560 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[N@H+]1CCC[C@H](C)C1 ZINC000911502374 657057722 /nfs/dbraw/zinc/05/77/22/657057722.db2.gz GDTCDPKMCJOIBK-RYUDHWBXSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[N@H+]1CCC[C@H](C)C1 ZINC000911502373 657057731 /nfs/dbraw/zinc/05/77/31/657057731.db2.gz GDTCDPKMCJOIBK-NWDGAFQWSA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504311 657058210 /nfs/dbraw/zinc/05/82/10/657058210.db2.gz JDEXSSHICUXPIM-NSHDSACASA-N 2 1 282.388 -0.608 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504311 657058218 /nfs/dbraw/zinc/05/82/18/657058218.db2.gz JDEXSSHICUXPIM-NSHDSACASA-N 2 1 282.388 -0.608 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911504849 657058457 /nfs/dbraw/zinc/05/84/57/657058457.db2.gz NTBQBCXXPGTJOI-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504310 657058657 /nfs/dbraw/zinc/05/86/57/657058657.db2.gz JDEXSSHICUXPIM-LLVKDONJSA-N 2 1 282.388 -0.608 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504310 657058660 /nfs/dbraw/zinc/05/86/60/657058660.db2.gz JDEXSSHICUXPIM-LLVKDONJSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911518741 657065172 /nfs/dbraw/zinc/06/51/72/657065172.db2.gz AXGSQMZPTIISME-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)C[C@H]1[NH3+] ZINC000911533274 657070215 /nfs/dbraw/zinc/07/02/15/657070215.db2.gz ONJJNWJVFGHHEQ-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009516109 657076737 /nfs/dbraw/zinc/07/67/37/657076737.db2.gz MMTHJOZEQCMFAZ-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009516109 657076743 /nfs/dbraw/zinc/07/67/43/657076743.db2.gz MMTHJOZEQCMFAZ-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001009516109 657076746 /nfs/dbraw/zinc/07/67/46/657076746.db2.gz MMTHJOZEQCMFAZ-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009516109 657076751 /nfs/dbraw/zinc/07/67/51/657076751.db2.gz MMTHJOZEQCMFAZ-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C(C)C ZINC000911560673 657077898 /nfs/dbraw/zinc/07/78/98/657077898.db2.gz QULMJNYBNZCYPV-HAQNSBGRSA-N 2 1 284.404 -0.314 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCN1CC[NH2+]CC1)CC2 ZINC000911695260 657105713 /nfs/dbraw/zinc/10/57/13/657105713.db2.gz JSVNAQVNVFUJDH-ZDUSSCGKSA-N 2 1 291.399 -0.225 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])CC2 ZINC000911875210 657152770 /nfs/dbraw/zinc/15/27/70/657152770.db2.gz LQWKAGHYDKTTAD-TZMCWYRMSA-N 2 1 291.399 -0.145 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911879026 657154047 /nfs/dbraw/zinc/15/40/47/657154047.db2.gz KIEWCFSUFUFMJP-OLZOCXBDSA-N 2 1 268.405 -0.040 20 0 CBADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010429289 657184885 /nfs/dbraw/zinc/18/48/85/657184885.db2.gz UFCVLSFHPVDOOY-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010429289 657184888 /nfs/dbraw/zinc/18/48/88/657184888.db2.gz UFCVLSFHPVDOOY-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010429289 657184895 /nfs/dbraw/zinc/18/48/95/657184895.db2.gz UFCVLSFHPVDOOY-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010429289 657184900 /nfs/dbraw/zinc/18/49/00/657184900.db2.gz UFCVLSFHPVDOOY-NEPJUHHUSA-N 2 1 255.362 -0.084 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC000912599118 657290434 /nfs/dbraw/zinc/29/04/34/657290434.db2.gz IHJIIOYXYRBIQE-UHFFFAOYSA-N 2 1 257.378 -0.289 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCN(C)C[C@H]1CO ZINC000912734701 657318294 /nfs/dbraw/zinc/31/82/94/657318294.db2.gz MRYMAFRUXLYURO-NSHDSACASA-N 2 1 252.318 -0.674 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC[NH2+]1 ZINC000912766867 657340842 /nfs/dbraw/zinc/34/08/42/657340842.db2.gz AEBJPDYCOXJDTR-CQSZACIVSA-N 2 1 282.432 -0.064 20 0 CBADMP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)N1CC[NH+](C)CC1 ZINC000912915848 657359090 /nfs/dbraw/zinc/35/90/90/657359090.db2.gz KEZHMGYDBRJVBN-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)C1)N1CC[NH+](C)CC1 ZINC000912915847 657359395 /nfs/dbraw/zinc/35/93/95/657359395.db2.gz KEZHMGYDBRJVBN-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCO)C1 ZINC001014961383 657392981 /nfs/dbraw/zinc/39/29/81/657392981.db2.gz HIFLZMTZUAASNI-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCO)C1 ZINC001014961383 657392985 /nfs/dbraw/zinc/39/29/85/657392985.db2.gz HIFLZMTZUAASNI-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001014961383 657392989 /nfs/dbraw/zinc/39/29/89/657392989.db2.gz HIFLZMTZUAASNI-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001014961383 657392992 /nfs/dbraw/zinc/39/29/92/657392992.db2.gz HIFLZMTZUAASNI-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000913178995 657395036 /nfs/dbraw/zinc/39/50/36/657395036.db2.gz LLQYNEZETUZHSI-YDHLFZDLSA-N 2 1 297.399 -0.530 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000913178995 657395045 /nfs/dbraw/zinc/39/50/45/657395045.db2.gz LLQYNEZETUZHSI-YDHLFZDLSA-N 2 1 297.399 -0.530 20 0 CBADMP C[NH+](C)CCCCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913187917 657415832 /nfs/dbraw/zinc/41/58/32/657415832.db2.gz GISSRTGBJLKFEQ-CYBMUJFWSA-N 2 1 273.377 -0.815 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)[NH+](C)C ZINC000913189453 657417963 /nfs/dbraw/zinc/41/79/63/657417963.db2.gz XBVWRJLQBUBVTP-YPMHNXCESA-N 2 1 273.377 -0.960 20 0 CBADMP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913195854 657424759 /nfs/dbraw/zinc/42/47/59/657424759.db2.gz HOYAFXZMZNIALX-UKRRQHHQSA-N 2 1 299.415 -0.425 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913195854 657424769 /nfs/dbraw/zinc/42/47/69/657424769.db2.gz HOYAFXZMZNIALX-UKRRQHHQSA-N 2 1 299.415 -0.425 20 0 CBADMP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913195855 657425541 /nfs/dbraw/zinc/42/55/41/657425541.db2.gz HOYAFXZMZNIALX-ZFWWWQNUSA-N 2 1 299.415 -0.425 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913195855 657425544 /nfs/dbraw/zinc/42/55/44/657425544.db2.gz HOYAFXZMZNIALX-ZFWWWQNUSA-N 2 1 299.415 -0.425 20 0 CBADMP C[N@H+]1CCC[C@@](O)(CC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000913351627 657445275 /nfs/dbraw/zinc/44/52/75/657445275.db2.gz JHGUZFLGPWLRST-GXTWGEPZSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCC[C@@](O)(CC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000913351627 657445280 /nfs/dbraw/zinc/44/52/80/657445280.db2.gz JHGUZFLGPWLRST-GXTWGEPZSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCC[C@@](O)(CC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000913351627 657445286 /nfs/dbraw/zinc/44/52/86/657445286.db2.gz JHGUZFLGPWLRST-GXTWGEPZSA-N 2 1 285.388 -0.984 20 0 CBADMP CNC(=O)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000913390924 657447383 /nfs/dbraw/zinc/44/73/83/657447383.db2.gz QZDADCFCDOGVGV-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001015599578 657474241 /nfs/dbraw/zinc/47/42/41/657474241.db2.gz QZRZDKSTDMDIGA-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001015599578 657474250 /nfs/dbraw/zinc/47/42/50/657474250.db2.gz QZRZDKSTDMDIGA-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001015599578 657474263 /nfs/dbraw/zinc/47/42/63/657474263.db2.gz QZRZDKSTDMDIGA-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001015599578 657474274 /nfs/dbraw/zinc/47/42/74/657474274.db2.gz QZRZDKSTDMDIGA-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CCO)C2)CC[N@H+]1C ZINC001015616935 657482311 /nfs/dbraw/zinc/48/23/11/657482311.db2.gz YJHSBPXHXVEGCF-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](CCO)C2)CC[NH+]1C ZINC001015616935 657482324 /nfs/dbraw/zinc/48/23/24/657482324.db2.gz YJHSBPXHXVEGCF-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001015616935 657482341 /nfs/dbraw/zinc/48/23/41/657482341.db2.gz YJHSBPXHXVEGCF-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015651065 657503344 /nfs/dbraw/zinc/50/33/44/657503344.db2.gz BTYLAQSCWIEZJQ-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015651065 657503356 /nfs/dbraw/zinc/50/33/56/657503356.db2.gz BTYLAQSCWIEZJQ-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015655346 657505830 /nfs/dbraw/zinc/50/58/30/657505830.db2.gz NTVUEJPQLATTJJ-OLZOCXBDSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015655346 657505841 /nfs/dbraw/zinc/50/58/41/657505841.db2.gz NTVUEJPQLATTJJ-OLZOCXBDSA-N 2 1 296.415 -0.217 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001015710713 657523682 /nfs/dbraw/zinc/52/36/82/657523682.db2.gz QKRHMVSFTVHWPW-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCO)C2)C1 ZINC001015710713 657523684 /nfs/dbraw/zinc/52/36/84/657523684.db2.gz QKRHMVSFTVHWPW-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001015710713 657523692 /nfs/dbraw/zinc/52/36/92/657523692.db2.gz QKRHMVSFTVHWPW-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCO)C1)C2 ZINC001015707114 657524883 /nfs/dbraw/zinc/52/48/83/657524883.db2.gz ZXVMWDFZWGMRME-QWHCGFSZSA-N 2 1 292.383 -0.063 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCO)C1)C2 ZINC001015707114 657524891 /nfs/dbraw/zinc/52/48/91/657524891.db2.gz ZXVMWDFZWGMRME-QWHCGFSZSA-N 2 1 292.383 -0.063 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001015710712 657524911 /nfs/dbraw/zinc/52/49/11/657524911.db2.gz QKRHMVSFTVHWPW-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001015710712 657524917 /nfs/dbraw/zinc/52/49/17/657524917.db2.gz QKRHMVSFTVHWPW-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001015710712 657524922 /nfs/dbraw/zinc/52/49/22/657524922.db2.gz QKRHMVSFTVHWPW-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001015796337 657550269 /nfs/dbraw/zinc/55/02/69/657550269.db2.gz KQHPMMJXOBRYOZ-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C2)cn1 ZINC001015827031 657563023 /nfs/dbraw/zinc/56/30/23/657563023.db2.gz LWDXHXWJWQHRMZ-ZDUSSCGKSA-N 2 1 295.387 -0.759 20 0 CBADMP O=C(NC12CC[NH+](CC1)C2)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000913635889 657572276 /nfs/dbraw/zinc/57/22/76/657572276.db2.gz RSVJFFLPDILUPW-NWDGAFQWSA-N 2 1 265.357 -0.186 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015997879 657626389 /nfs/dbraw/zinc/62/63/89/657626389.db2.gz IMNFTPJGBZRMTP-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015997879 657626396 /nfs/dbraw/zinc/62/63/96/657626396.db2.gz IMNFTPJGBZRMTP-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015997879 657626404 /nfs/dbraw/zinc/62/64/04/657626404.db2.gz IMNFTPJGBZRMTP-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015997879 657626412 /nfs/dbraw/zinc/62/64/12/657626412.db2.gz IMNFTPJGBZRMTP-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016251129 657670654 /nfs/dbraw/zinc/67/06/54/657670654.db2.gz SNHUTIGUJNIVJF-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016251129 657670658 /nfs/dbraw/zinc/67/06/58/657670658.db2.gz SNHUTIGUJNIVJF-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016251129 657670666 /nfs/dbraw/zinc/67/06/66/657670666.db2.gz SNHUTIGUJNIVJF-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016251129 657670676 /nfs/dbraw/zinc/67/06/76/657670676.db2.gz SNHUTIGUJNIVJF-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001016302502 657685373 /nfs/dbraw/zinc/68/53/73/657685373.db2.gz MURKYILAYAHKTE-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001016302502 657685379 /nfs/dbraw/zinc/68/53/79/657685379.db2.gz MURKYILAYAHKTE-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001016302502 657685384 /nfs/dbraw/zinc/68/53/84/657685384.db2.gz MURKYILAYAHKTE-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001016302502 657685388 /nfs/dbraw/zinc/68/53/88/657685388.db2.gz MURKYILAYAHKTE-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)C1 ZINC001016970070 657743564 /nfs/dbraw/zinc/74/35/64/657743564.db2.gz RMXUYOXTHYYQAC-RYUDHWBXSA-N 2 1 294.399 -0.606 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)C1 ZINC001016970069 657743695 /nfs/dbraw/zinc/74/36/95/657743695.db2.gz RMXUYOXTHYYQAC-NWDGAFQWSA-N 2 1 294.399 -0.606 20 0 CBADMP C[C@@H]1CN(CCNC(=O)NC[C@@H]2CC[N@H+]2C)CCO1 ZINC000915826958 657752487 /nfs/dbraw/zinc/75/24/87/657752487.db2.gz GCDKOEFWOYOKAJ-NEPJUHHUSA-N 2 1 270.377 -0.290 20 0 CBADMP C[C@@H]1CN(CCNC(=O)NC[C@@H]2CCN2C)CCO1 ZINC000915826958 657752501 /nfs/dbraw/zinc/75/25/01/657752501.db2.gz GCDKOEFWOYOKAJ-NEPJUHHUSA-N 2 1 270.377 -0.290 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NCC1([NH+](C)C)CC1 ZINC000916331533 657771242 /nfs/dbraw/zinc/77/12/42/657771242.db2.gz OZFVKNSJPKXBQP-UHFFFAOYSA-N 2 1 272.393 -0.042 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018838391 657849396 /nfs/dbraw/zinc/84/93/96/657849396.db2.gz ZEDGALVAFFQQRI-NWDGAFQWSA-N 2 1 282.388 -0.465 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000919635181 657855996 /nfs/dbraw/zinc/85/59/96/657855996.db2.gz NDFDIAWRBHGGDY-VXGBXAGGSA-N 2 1 270.377 -0.290 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000919635181 657855999 /nfs/dbraw/zinc/85/59/99/657855999.db2.gz NDFDIAWRBHGGDY-VXGBXAGGSA-N 2 1 270.377 -0.290 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000919635181 657856005 /nfs/dbraw/zinc/85/60/05/657856005.db2.gz NDFDIAWRBHGGDY-VXGBXAGGSA-N 2 1 270.377 -0.290 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018990949 657857058 /nfs/dbraw/zinc/85/70/58/657857058.db2.gz RSXCSZRDSSAXSB-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CCF)C2)O1 ZINC001019032362 657858911 /nfs/dbraw/zinc/85/89/11/657858911.db2.gz RUJGSJMHARWBDU-GRYCIOLGSA-N 2 1 273.352 -0.135 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CCF)C2)O1 ZINC001019032362 657858914 /nfs/dbraw/zinc/85/89/14/657858914.db2.gz RUJGSJMHARWBDU-GRYCIOLGSA-N 2 1 273.352 -0.135 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)N2CC[C@H]([NH2+]CCO)C2)no1 ZINC001019069788 657861023 /nfs/dbraw/zinc/86/10/23/657861023.db2.gz IODKTPBULPMKSG-JTQLQIEISA-N 2 1 282.344 -0.467 20 0 CBADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1)C(N)=O ZINC001019153857 657866856 /nfs/dbraw/zinc/86/68/56/657866856.db2.gz NJVAXIKJWCMHJI-RYUDHWBXSA-N 2 1 293.371 -0.354 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001019241566 657875922 /nfs/dbraw/zinc/87/59/22/657875922.db2.gz JRZATZYEZZHPTA-YNEHKIRRSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001019241686 657875968 /nfs/dbraw/zinc/87/59/68/657875968.db2.gz UTRPUPJJVYBZKO-GARJFASQSA-N 2 1 268.361 -0.855 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019274847 657879375 /nfs/dbraw/zinc/87/93/75/657879375.db2.gz RNZMBCSBMSWAPP-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019285736 657880458 /nfs/dbraw/zinc/88/04/58/657880458.db2.gz WILFOCYKBUHHLX-QWHCGFSZSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019285736 657880461 /nfs/dbraw/zinc/88/04/61/657880461.db2.gz WILFOCYKBUHHLX-QWHCGFSZSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001019289090 657880575 /nfs/dbraw/zinc/88/05/75/657880575.db2.gz UERYVYAHHWAQDQ-RNJOBUHISA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019382411 657891109 /nfs/dbraw/zinc/89/11/09/657891109.db2.gz ANMTZCPELHPEKJ-MNOVXSKESA-N 2 1 268.361 -0.996 20 0 CBADMP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1)[NH+](C)C ZINC001019397171 657893505 /nfs/dbraw/zinc/89/35/05/657893505.db2.gz MRJKCIBRXXXZSF-QWRGUYRKSA-N 2 1 295.391 -0.759 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC001019774848 657938275 /nfs/dbraw/zinc/93/82/75/657938275.db2.gz KUOYRKNGXRUFGE-LBPRGKRZSA-N 2 1 292.387 -0.399 20 0 CBADMP Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001019772764 657938938 /nfs/dbraw/zinc/93/89/38/657938938.db2.gz QPWSYAMPFXPZAC-NEPJUHHUSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001019772764 657938957 /nfs/dbraw/zinc/93/89/57/657938957.db2.gz QPWSYAMPFXPZAC-NEPJUHHUSA-N 2 1 292.387 -0.543 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020026112 657985178 /nfs/dbraw/zinc/98/51/78/657985178.db2.gz HMPQZVSCATUYRI-KKOKHZNYSA-N 2 1 280.372 -0.794 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001020029081 657989742 /nfs/dbraw/zinc/98/97/42/657989742.db2.gz UCFOSCJQYJIXHC-FIQHERPVSA-N 2 1 282.388 -0.419 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CCOCCO ZINC000922125702 658005986 /nfs/dbraw/zinc/00/59/86/658005986.db2.gz VBICERPEJGQCNB-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)CCOCCO ZINC000922125702 658005998 /nfs/dbraw/zinc/00/59/98/658005998.db2.gz VBICERPEJGQCNB-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)CCOCCO ZINC000922125702 658006005 /nfs/dbraw/zinc/00/60/05/658006005.db2.gz VBICERPEJGQCNB-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001020150985 658020574 /nfs/dbraw/zinc/02/05/74/658020574.db2.gz GSIYGAMVCAMHEP-CYDGBPFRSA-N 2 1 294.399 -0.417 20 0 CBADMP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001020237781 658030394 /nfs/dbraw/zinc/03/03/94/658030394.db2.gz CQSGDAUPRYYZIX-IJLUTSLNSA-N 2 1 278.356 -0.010 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020301117 658035402 /nfs/dbraw/zinc/03/54/02/658035402.db2.gz PQZHVYBWOURILT-FDYHWXHSSA-N 2 1 294.399 -0.404 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCF)C2)O1 ZINC001020286720 658035630 /nfs/dbraw/zinc/03/56/30/658035630.db2.gz KMNGELXFVVLMNM-DDHJBXDOSA-N 2 1 273.352 -0.088 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCF)C2)O1 ZINC001020286720 658035636 /nfs/dbraw/zinc/03/56/36/658035636.db2.gz KMNGELXFVVLMNM-DDHJBXDOSA-N 2 1 273.352 -0.088 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020397122 658046928 /nfs/dbraw/zinc/04/69/28/658046928.db2.gz SJNBUTWXNXHNAN-SRVKXCTJSA-N 2 1 291.355 -0.683 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020397121 658047395 /nfs/dbraw/zinc/04/73/95/658047395.db2.gz SJNBUTWXNXHNAN-IJLUTSLNSA-N 2 1 291.355 -0.683 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020589020 658076190 /nfs/dbraw/zinc/07/61/90/658076190.db2.gz UUUDSHYKILVXOI-DCAQKATOSA-N 2 1 268.361 -0.950 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001020588873 658077145 /nfs/dbraw/zinc/07/71/45/658077145.db2.gz OZQFXYJTPGIYSB-YVECIDJPSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1)C(N)=O ZINC001020591962 658078509 /nfs/dbraw/zinc/07/85/09/658078509.db2.gz XTYPKVKXJLJPPX-SRVKXCTJSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001020927675 658115567 /nfs/dbraw/zinc/11/55/67/658115567.db2.gz OBJMAIPRRJPRPR-LPWJVIDDSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001020929272 658118611 /nfs/dbraw/zinc/11/86/11/658118611.db2.gz VYCJSWIYMWPGRM-FDYHWXHSSA-N 2 1 269.389 -0.054 20 0 CBADMP C[NH+](C)C1(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000922982317 658118318 /nfs/dbraw/zinc/11/83/18/658118318.db2.gz AGBFORZCMUQXOG-LLVKDONJSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001020928873 658121183 /nfs/dbraw/zinc/12/11/83/658121183.db2.gz ONBONZNHHJROPQ-BJDJZHNGSA-N 2 1 282.388 -0.561 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001021044469 658133947 /nfs/dbraw/zinc/13/39/47/658133947.db2.gz ODCIVCRUWXNDFJ-GMTAPVOTSA-N 2 1 279.344 -0.242 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001021044469 658133964 /nfs/dbraw/zinc/13/39/64/658133964.db2.gz ODCIVCRUWXNDFJ-GMTAPVOTSA-N 2 1 279.344 -0.242 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001021044769 658135626 /nfs/dbraw/zinc/13/56/26/658135626.db2.gz SZASUUBNTYJYKE-KKOKHZNYSA-N 2 1 282.388 -0.561 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001021044465 658137658 /nfs/dbraw/zinc/13/76/58/658137658.db2.gz ODCIVCRUWXNDFJ-DCAQKATOSA-N 2 1 279.344 -0.242 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001021044465 658137674 /nfs/dbraw/zinc/13/76/74/658137674.db2.gz ODCIVCRUWXNDFJ-DCAQKATOSA-N 2 1 279.344 -0.242 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001021052941 658139917 /nfs/dbraw/zinc/13/99/17/658139917.db2.gz AIFFBTLIZWWOLG-LSJOCFKGSA-N 2 1 279.344 -0.698 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021049321 658143596 /nfs/dbraw/zinc/14/35/96/658143596.db2.gz MEJJGVAIJFVQHX-DDHJBXDOSA-N 2 1 255.362 -0.444 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCF)C2)C1 ZINC001021080624 658145724 /nfs/dbraw/zinc/14/57/24/658145724.db2.gz NQAVCJWNINNANK-IJLUTSLNSA-N 2 1 273.352 -0.087 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCF)C2)C1 ZINC001021080624 658145730 /nfs/dbraw/zinc/14/57/30/658145730.db2.gz NQAVCJWNINNANK-IJLUTSLNSA-N 2 1 273.352 -0.087 20 0 CBADMP CC(C)COC[C@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000923283524 658187323 /nfs/dbraw/zinc/18/73/23/658187323.db2.gz BDXRVQNOQANQJR-CQSZACIVSA-N 2 1 273.421 -0.143 20 0 CBADMP CCOC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283951 658189686 /nfs/dbraw/zinc/18/96/86/658189686.db2.gz ZPNXPXOORKFDMM-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000923282497 658190625 /nfs/dbraw/zinc/19/06/25/658190625.db2.gz UXVFFVFHWVKPDB-AVGNSLFASA-N 2 1 258.362 -0.177 20 0 CBADMP CC(=O)N[C@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923302771 658198907 /nfs/dbraw/zinc/19/89/07/658198907.db2.gz CPBMKXBIKWDZKV-STQMWFEESA-N 2 1 267.373 -0.035 20 0 CBADMP CN(C)C(=O)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923303248 658200431 /nfs/dbraw/zinc/20/04/31/658200431.db2.gz AMWURTVOAXTPHQ-LBPRGKRZSA-N 2 1 282.388 -0.336 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](N3CCCC3=O)C2)C1 ZINC000923311507 658201999 /nfs/dbraw/zinc/20/19/99/658201999.db2.gz OLCJXHQLXYSKKW-CYDGBPFRSA-N 2 1 267.373 -0.076 20 0 CBADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923314250 658203054 /nfs/dbraw/zinc/20/30/54/658203054.db2.gz FFKMCVAMSMLQTG-WDEREUQCSA-N 2 1 255.362 -0.321 20 0 CBADMP CCC[N@H+](CC(=O)NC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923310128 658204436 /nfs/dbraw/zinc/20/44/36/658204436.db2.gz RVVMIHCCHQPWIX-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP O=C1NCCN1[C@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309162 658205606 /nfs/dbraw/zinc/20/56/06/658205606.db2.gz SUNWDJRPLNLFCJ-STQMWFEESA-N 2 1 294.399 -0.146 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923313209 658205783 /nfs/dbraw/zinc/20/57/83/658205783.db2.gz PXAZERLXYYUJCI-NEPJUHHUSA-N 2 1 267.373 -0.177 20 0 CBADMP CC[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[N@H+]1CCOC ZINC000923321218 658208062 /nfs/dbraw/zinc/20/80/62/658208062.db2.gz DMAHNKDMKJAHRS-XUXIUFHCSA-N 2 1 271.405 -0.120 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C ZINC000923322375 658209831 /nfs/dbraw/zinc/20/98/31/658209831.db2.gz KRGJGRANZFEFDV-MELADBBJSA-N 2 1 283.416 -0.248 20 0 CBADMP C[C@H](O)CN1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C ZINC000923322375 658209851 /nfs/dbraw/zinc/20/98/51/658209851.db2.gz KRGJGRANZFEFDV-MELADBBJSA-N 2 1 283.416 -0.248 20 0 CBADMP C[C@H](O)CN1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C ZINC000923322375 658209877 /nfs/dbraw/zinc/20/98/77/658209877.db2.gz KRGJGRANZFEFDV-MELADBBJSA-N 2 1 283.416 -0.248 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000923329692 658215262 /nfs/dbraw/zinc/21/52/62/658215262.db2.gz XIEOLCCIOBMCKA-MELADBBJSA-N 2 1 299.415 -0.426 20 0 CBADMP COC[C@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923346904 658221235 /nfs/dbraw/zinc/22/12/35/658221235.db2.gz XNPQHCCHJNXAHZ-NWDGAFQWSA-N 2 1 273.377 -0.687 20 0 CBADMP CCOC[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923347191 658222123 /nfs/dbraw/zinc/22/21/23/658222123.db2.gz ZORDHYROHYQCIK-OLZOCXBDSA-N 2 1 287.404 -0.297 20 0 CBADMP CN1CC(=O)N(CC[N@@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000923357604 658228898 /nfs/dbraw/zinc/22/88/98/658228898.db2.gz YYASOZNFHKQLDQ-GFCCVEGCSA-N 2 1 254.334 -0.449 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000923357604 658228917 /nfs/dbraw/zinc/22/89/17/658228917.db2.gz YYASOZNFHKQLDQ-GFCCVEGCSA-N 2 1 254.334 -0.449 20 0 CBADMP O[C@@H](Cn1cccn1)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923359002 658230622 /nfs/dbraw/zinc/23/06/22/658230622.db2.gz NVMRXHCORWOFSW-JHJVBQTASA-N 2 1 250.346 -0.072 20 0 CBADMP C[N@@H+](C[C@@H](O)COc1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000923367107 658234749 /nfs/dbraw/zinc/23/47/49/658234749.db2.gz RZOXODRMJOTCPU-NWDGAFQWSA-N 2 1 272.320 -0.183 20 0 CBADMP C[N@H+](C[C@@H](O)COc1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000923367107 658234773 /nfs/dbraw/zinc/23/47/73/658234773.db2.gz RZOXODRMJOTCPU-NWDGAFQWSA-N 2 1 272.320 -0.183 20 0 CBADMP CSC[C@H](O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923366235 658236249 /nfs/dbraw/zinc/23/62/49/658236249.db2.gz IGXNHQLJPPQGRO-NWDGAFQWSA-N 2 1 259.419 -0.310 20 0 CBADMP C[N@@H+](C[C@H](O)COC[C@@H]1CCCO1)C1CC([NH3+])C1 ZINC000923363665 658236385 /nfs/dbraw/zinc/23/63/85/658236385.db2.gz XINMYCFVTBONLB-TYUFSLCMSA-N 2 1 258.362 -0.036 20 0 CBADMP CNC(=O)CCC[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923371727 658241230 /nfs/dbraw/zinc/24/12/30/658241230.db2.gz SSRMCARMMGDSAI-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP COC(=O)N(C)CC[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923387353 658251126 /nfs/dbraw/zinc/25/11/26/658251126.db2.gz DCTXAZXJTUVMAC-LLVKDONJSA-N 2 1 271.361 -0.005 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000923399388 658253717 /nfs/dbraw/zinc/25/37/17/658253717.db2.gz PCFXOSJJSJSYRX-QWHCGFSZSA-N 2 1 271.405 -0.200 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000923408284 658262507 /nfs/dbraw/zinc/26/25/07/658262507.db2.gz FSJNDBJBWUGYEV-ZIAGYGMSSA-N 2 1 271.405 -0.247 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](CCC[NH2+]C3CC3)C[C@H]2C1=O ZINC000923412782 658271795 /nfs/dbraw/zinc/27/17/95/658271795.db2.gz BBFQRPNXWKMKFL-PHIMTYICSA-N 2 1 251.330 -0.325 20 0 CBADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923427778 658272797 /nfs/dbraw/zinc/27/27/97/658272797.db2.gz VUMWRPGAQGJYQI-YNEHKIRRSA-N 3 1 251.374 -0.094 20 0 CBADMP C[C@]12C[NH2+]C[C@H]1CN(C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923427778 658272809 /nfs/dbraw/zinc/27/28/09/658272809.db2.gz VUMWRPGAQGJYQI-YNEHKIRRSA-N 2 1 251.374 -0.094 20 0 CBADMP O=C1NCC[C@@H]2CCC[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)[C@H]12 ZINC000923426214 658273149 /nfs/dbraw/zinc/27/31/49/658273149.db2.gz LSJCVHPCCNSARE-XQQFMLRXSA-N 2 1 279.384 -0.035 20 0 CBADMP C[C@@H](C(=O)Nc1nccs1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462008 658289396 /nfs/dbraw/zinc/28/93/96/658289396.db2.gz ALHGGIJNYFNXAJ-JTQLQIEISA-N 2 1 283.401 -0.035 20 0 CBADMP NC(=O)[C@@H](c1ccccc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923463442 658290452 /nfs/dbraw/zinc/29/04/52/658290452.db2.gz HBLQKNXDWDGKKQ-CYBMUJFWSA-N 2 1 262.357 -0.292 20 0 CBADMP O=C1[C@H](N2CC[NH2+]CC[NH2+]CC2)CCN1C1CCC1 ZINC000923460388 658291880 /nfs/dbraw/zinc/29/18/80/658291880.db2.gz NCGKGBTURVWWQX-CYBMUJFWSA-N 2 1 266.389 -0.365 20 0 CBADMP Cc1cccnc1NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459819 658293680 /nfs/dbraw/zinc/29/36/80/658293680.db2.gz HNTIEDVAQFLNMN-UHFFFAOYSA-N 2 1 277.372 -0.177 20 0 CBADMP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC[NH2+]CC2)C[C@@H](C)O1 ZINC000923465572 658296718 /nfs/dbraw/zinc/29/67/18/658296718.db2.gz IJGHRFUNDMVZFU-CHWSQXEVSA-N 2 1 284.404 -0.883 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923482277 658302302 /nfs/dbraw/zinc/30/23/02/658302302.db2.gz YGNCOEYFXMMMDC-NEPJUHHUSA-N 2 1 283.372 -0.179 20 0 CBADMP C[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000923568205 658331137 /nfs/dbraw/zinc/33/11/37/658331137.db2.gz FTIIFJCRNCZLJX-GMTAPVOTSA-N 2 1 261.391 -0.250 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923490706 658306376 /nfs/dbraw/zinc/30/63/76/658306376.db2.gz FHEGYGZEIGASPQ-YNEHKIRRSA-N 2 1 260.378 -0.073 20 0 CBADMP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923498687 658307044 /nfs/dbraw/zinc/30/70/44/658307044.db2.gz JBJUPRDMGFCQOL-STQMWFEESA-N 2 1 298.431 -0.112 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500242 658309524 /nfs/dbraw/zinc/30/95/24/658309524.db2.gz VWVWVCANGSITGL-ZJUUUORDSA-N 2 1 256.350 -0.251 20 0 CBADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923503965 658310957 /nfs/dbraw/zinc/31/09/57/658310957.db2.gz MYENMLZMRLGOGK-UWVGGRQHSA-N 2 1 256.350 -0.251 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923502868 658311116 /nfs/dbraw/zinc/31/11/16/658311116.db2.gz ZOANEKYRSMJFNA-CHWSQXEVSA-N 3 1 268.405 -0.275 20 0 CBADMP C[C@@H]1C[N@H+](CCC(=O)N2CCNCC2)CC[C@@H]1C[NH3+] ZINC000923502868 658311134 /nfs/dbraw/zinc/31/11/34/658311134.db2.gz ZOANEKYRSMJFNA-CHWSQXEVSA-N 2 1 268.405 -0.275 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CCNCC2)CC[C@@H]1C[NH3+] ZINC000923502868 658311140 /nfs/dbraw/zinc/31/11/40/658311140.db2.gz ZOANEKYRSMJFNA-CHWSQXEVSA-N 2 1 268.405 -0.275 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923502930 658311731 /nfs/dbraw/zinc/31/17/31/658311731.db2.gz FCULKTXZZHEACX-GUBZILKMSA-N 2 1 256.350 -0.253 20 0 CBADMP [NH3+]CCCCCC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000923549370 658316550 /nfs/dbraw/zinc/31/65/50/658316550.db2.gz IZEYFJMEDAJQSG-LLVKDONJSA-N 2 1 276.406 -0.660 20 0 CBADMP COC[C@@H]1COCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000923556308 658321065 /nfs/dbraw/zinc/32/10/65/658321065.db2.gz GEXAJFLKWJSHMC-GFCCVEGCSA-N 2 1 271.361 -0.845 20 0 CBADMP COC[C@@H]1COCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000923556308 658321082 /nfs/dbraw/zinc/32/10/82/658321082.db2.gz GEXAJFLKWJSHMC-GFCCVEGCSA-N 2 1 271.361 -0.845 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923588712 658341468 /nfs/dbraw/zinc/34/14/68/658341468.db2.gz HXAWSTZFNUJRMY-SNVBAGLBSA-N 2 1 261.391 -0.391 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)C1C[NH2+]C1 ZINC000923608544 658350247 /nfs/dbraw/zinc/35/02/47/658350247.db2.gz UDXPPLOZAJRTDM-JTQLQIEISA-N 2 1 261.391 -0.248 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923627661 658360334 /nfs/dbraw/zinc/36/03/34/658360334.db2.gz LCWUNNFKAGDHHZ-CMPLNLGQSA-N 2 1 288.417 -0.791 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923627667 658361354 /nfs/dbraw/zinc/36/13/54/658361354.db2.gz LCWUNNFKAGDHHZ-PWSUYJOCSA-N 2 1 288.417 -0.791 20 0 CBADMP Cc1ccc(NCCNS(=O)(=O)C2C[NH2+]C2)[nH+]c1 ZINC000923735402 658426326 /nfs/dbraw/zinc/42/63/26/658426326.db2.gz XMVRJBJAYLJJHG-UHFFFAOYSA-N 2 1 270.358 -0.307 20 0 CBADMP C[NH+](C)C[C@@H]1NC(=O)N(C[C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000924485679 658606476 /nfs/dbraw/zinc/60/64/76/658606476.db2.gz MIPWFKBODKXKSM-JQWIXIFHSA-N 2 1 280.372 -0.047 20 0 CBADMP C[C@@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)C[NH+]1CCOCC1 ZINC000924555739 658613921 /nfs/dbraw/zinc/61/39/21/658613921.db2.gz JIZLWVSDZPCNNY-VXGBXAGGSA-N 2 1 298.387 -0.563 20 0 CBADMP COCC[N@H+]1CC[C@@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000924598140 658618496 /nfs/dbraw/zinc/61/84/96/658618496.db2.gz DFGKXOSOPCLKAS-GHMZBOCLSA-N 2 1 284.360 -0.811 20 0 CBADMP C[NH+](C)C[C@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000924886762 658652586 /nfs/dbraw/zinc/65/25/86/658652586.db2.gz PCFNAIGFERYPAU-GHMZBOCLSA-N 2 1 266.345 -0.295 20 0 CBADMP O=C(NC[C@H]1C[N@H+](CC2CC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958591002 658667436 /nfs/dbraw/zinc/66/74/36/658667436.db2.gz DYQAVZPXAVXBTA-KBPBESRZSA-N 2 1 293.411 -0.099 20 0 CBADMP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000924944449 658667833 /nfs/dbraw/zinc/66/78/33/658667833.db2.gz ALWYCJYPRBCCAE-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000924946442 658669483 /nfs/dbraw/zinc/66/94/83/658669483.db2.gz SRFDIWWXRPONIX-GFCCVEGCSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000924944446 658670406 /nfs/dbraw/zinc/67/04/06/658670406.db2.gz ALWYCJYPRBCCAE-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC1(C)CNC(=O)[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000924966724 658679180 /nfs/dbraw/zinc/67/91/80/658679180.db2.gz UILHZXWVSHNGRA-NWDGAFQWSA-N 2 1 296.415 -0.312 20 0 CBADMP CC1(C)CNC(=O)[C@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000924966724 658679190 /nfs/dbraw/zinc/67/91/90/658679190.db2.gz UILHZXWVSHNGRA-NWDGAFQWSA-N 2 1 296.415 -0.312 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2C)n1 ZINC000924978973 658685558 /nfs/dbraw/zinc/68/55/58/658685558.db2.gz LZEIPODIEFEKET-NEPJUHHUSA-N 2 1 295.387 -0.761 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2C)cn1 ZINC000924978031 658686151 /nfs/dbraw/zinc/68/61/51/658686151.db2.gz HXESJMZLEIDTNM-CHWSQXEVSA-N 2 1 295.387 -0.761 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2C)cn1 ZINC000924978036 658686332 /nfs/dbraw/zinc/68/63/32/658686332.db2.gz HXESJMZLEIDTNM-QWHCGFSZSA-N 2 1 295.387 -0.761 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C)CC2 ZINC000924982697 658697487 /nfs/dbraw/zinc/69/74/87/658697487.db2.gz XNORAIBDYXCGEX-KWCYVHTRSA-N 2 1 292.383 -0.065 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C)CC2 ZINC000924982697 658697527 /nfs/dbraw/zinc/69/75/27/658697527.db2.gz XNORAIBDYXCGEX-KWCYVHTRSA-N 2 1 292.383 -0.065 20 0 CBADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000924990690 658708007 /nfs/dbraw/zinc/70/80/07/658708007.db2.gz HJGVXWRTSHNGSX-NWDGAFQWSA-N 2 1 268.405 -0.264 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[N@H+](C)CCO)CC2 ZINC000925001066 658726621 /nfs/dbraw/zinc/72/66/21/658726621.db2.gz XQVMYPCXXXVSPN-GFCCVEGCSA-N 2 1 280.372 -0.206 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[N@@H+](C)CCO)CC2 ZINC000925001066 658726696 /nfs/dbraw/zinc/72/66/96/658726696.db2.gz XQVMYPCXXXVSPN-GFCCVEGCSA-N 2 1 280.372 -0.206 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1CCCc2[nH+]ccn21 ZINC000960272420 658802781 /nfs/dbraw/zinc/80/27/81/658802781.db2.gz FLXJAXDSMZKRNX-CZXHOFHRSA-N 2 1 290.367 -0.201 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1CCCc2[nH+]ccn21 ZINC000960272420 658802783 /nfs/dbraw/zinc/80/27/83/658802783.db2.gz FLXJAXDSMZKRNX-CZXHOFHRSA-N 2 1 290.367 -0.201 20 0 CBADMP CC[N@H+]1CC[C@@H]1CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000925098793 658807013 /nfs/dbraw/zinc/80/70/13/658807013.db2.gz VGCXNUMGXOULRB-NXEZZACHSA-N 2 1 254.334 -0.437 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)C12CCC[NH+]1CCC2 ZINC000960790183 658807696 /nfs/dbraw/zinc/80/76/96/658807696.db2.gz LINJPFCCRUDFCY-ITGUQSILSA-N 2 1 279.384 -0.347 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)c1ccn2c[nH+]cc2c1 ZINC000960837530 658809244 /nfs/dbraw/zinc/80/92/44/658809244.db2.gz LSPYNDDWXKWLPU-WDNDVIMCSA-N 2 1 286.335 -0.013 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000961139849 658815545 /nfs/dbraw/zinc/81/55/45/658815545.db2.gz BTNDTUWNZSXYOJ-IMRBUKKESA-N 2 1 278.356 -0.380 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000961139849 658815549 /nfs/dbraw/zinc/81/55/49/658815549.db2.gz BTNDTUWNZSXYOJ-IMRBUKKESA-N 2 1 278.356 -0.380 20 0 CBADMP C[NH+](C)C[C@H]1NC(=O)N(C[C@H]2CCC[N@H+]2C)C1=O ZINC000925288042 658816228 /nfs/dbraw/zinc/81/62/28/658816228.db2.gz BGUPODHBWRYEON-NXEZZACHSA-N 2 1 254.334 -0.437 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000961358071 658819177 /nfs/dbraw/zinc/81/91/77/658819177.db2.gz MQHHMCKTUBNLCY-CBBWQLFWSA-N 2 1 293.411 -0.101 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CC[NH+](CCO)C[C@H]2C)CC[N@@H+]1C ZINC000925340299 658829494 /nfs/dbraw/zinc/82/94/94/658829494.db2.gz JIQYHBPPAPUSJO-JHJVBQTASA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CC[NH+](CCO)C[C@H]2C)CC[N@H+]1C ZINC000925340299 658829495 /nfs/dbraw/zinc/82/94/95/658829495.db2.gz JIQYHBPPAPUSJO-JHJVBQTASA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CC[N@H+](CCO)C[C@H]2C)CC[NH+]1C ZINC000925340299 658829498 /nfs/dbraw/zinc/82/94/98/658829498.db2.gz JIQYHBPPAPUSJO-JHJVBQTASA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CC[N@@H+](CCO)C[C@H]2C)CC[NH+]1C ZINC000925340299 658829502 /nfs/dbraw/zinc/82/95/02/658829502.db2.gz JIQYHBPPAPUSJO-JHJVBQTASA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925344075 658830595 /nfs/dbraw/zinc/83/05/95/658830595.db2.gz PABWGOFMCMUELS-XQQFMLRXSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000925344075 658830597 /nfs/dbraw/zinc/83/05/97/658830597.db2.gz PABWGOFMCMUELS-XQQFMLRXSA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@H+]1C ZINC000925346769 658832660 /nfs/dbraw/zinc/83/26/60/658832660.db2.gz VTQBGVDFIAZQQN-GRYCIOLGSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000925346769 658832661 /nfs/dbraw/zinc/83/26/61/658832661.db2.gz VTQBGVDFIAZQQN-GRYCIOLGSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000925346769 658832666 /nfs/dbraw/zinc/83/26/66/658832666.db2.gz VTQBGVDFIAZQQN-GRYCIOLGSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000961765685 658833108 /nfs/dbraw/zinc/83/31/08/658833108.db2.gz RITJPAHYDIOTDB-NMKXLXIOSA-N 2 1 267.373 -0.633 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000961765685 658833111 /nfs/dbraw/zinc/83/31/11/658833111.db2.gz RITJPAHYDIOTDB-NMKXLXIOSA-N 2 1 267.373 -0.633 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000961765685 658833115 /nfs/dbraw/zinc/83/31/15/658833115.db2.gz RITJPAHYDIOTDB-NMKXLXIOSA-N 2 1 267.373 -0.633 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[C@H](O)C[NH+]2C)CC[N@H+]1C ZINC000925357664 658834814 /nfs/dbraw/zinc/83/48/14/658834814.db2.gz WYNRNWIAUNISPY-WISYIIOYSA-N 2 1 270.377 -0.557 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2C)CC[NH+]1C ZINC000925357664 658834815 /nfs/dbraw/zinc/83/48/15/658834815.db2.gz WYNRNWIAUNISPY-WISYIIOYSA-N 2 1 270.377 -0.557 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2C)CC[NH+]1C ZINC000925357664 658834818 /nfs/dbraw/zinc/83/48/18/658834818.db2.gz WYNRNWIAUNISPY-WISYIIOYSA-N 2 1 270.377 -0.557 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000925424159 658844963 /nfs/dbraw/zinc/84/49/63/658844963.db2.gz KUPCNEAXACTCND-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000925424159 658844964 /nfs/dbraw/zinc/84/49/64/658844964.db2.gz KUPCNEAXACTCND-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000925424159 658844965 /nfs/dbraw/zinc/84/49/65/658844965.db2.gz KUPCNEAXACTCND-STQMWFEESA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000925424509 658847624 /nfs/dbraw/zinc/84/76/24/658847624.db2.gz MGCKHMRJDDZEHS-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000925424509 658847630 /nfs/dbraw/zinc/84/76/30/658847630.db2.gz MGCKHMRJDDZEHS-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000925424509 658847636 /nfs/dbraw/zinc/84/76/36/658847636.db2.gz MGCKHMRJDDZEHS-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000925428668 658849700 /nfs/dbraw/zinc/84/97/00/658849700.db2.gz DISSLZPDOXFFTH-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000925428668 658849693 /nfs/dbraw/zinc/84/96/93/658849693.db2.gz DISSLZPDOXFFTH-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000925428668 658849695 /nfs/dbraw/zinc/84/96/95/658849695.db2.gz DISSLZPDOXFFTH-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000925429031 658849991 /nfs/dbraw/zinc/84/99/91/658849991.db2.gz ILHBOGUHHRNIIN-SDDRHHMPSA-N 2 1 268.361 -0.849 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000925429031 658849994 /nfs/dbraw/zinc/84/99/94/658849994.db2.gz ILHBOGUHHRNIIN-SDDRHHMPSA-N 2 1 268.361 -0.849 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000925429031 658849997 /nfs/dbraw/zinc/84/99/97/658849997.db2.gz ILHBOGUHHRNIIN-SDDRHHMPSA-N 2 1 268.361 -0.849 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962299089 658850439 /nfs/dbraw/zinc/85/04/39/658850439.db2.gz RAMPTKGVIGBCOL-NNYUYHANSA-N 2 1 292.383 -0.998 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962299089 658850441 /nfs/dbraw/zinc/85/04/41/658850441.db2.gz RAMPTKGVIGBCOL-NNYUYHANSA-N 2 1 292.383 -0.998 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000925434634 658854043 /nfs/dbraw/zinc/85/40/43/658854043.db2.gz LPGZCDCYQACACA-KBPBESRZSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000925434634 658854046 /nfs/dbraw/zinc/85/40/46/658854046.db2.gz LPGZCDCYQACACA-KBPBESRZSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000925434634 658854053 /nfs/dbraw/zinc/85/40/53/658854053.db2.gz LPGZCDCYQACACA-KBPBESRZSA-N 2 1 296.415 -0.069 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925477736 658855530 /nfs/dbraw/zinc/85/55/30/658855530.db2.gz LTEGOIMFODSLIJ-OLZOCXBDSA-N 2 1 257.378 -0.325 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962552165 658857121 /nfs/dbraw/zinc/85/71/21/658857121.db2.gz CMMDBPVLBIXUKU-DCQANWLSSA-N 2 1 280.372 -0.998 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962552165 658857125 /nfs/dbraw/zinc/85/71/25/658857125.db2.gz CMMDBPVLBIXUKU-DCQANWLSSA-N 2 1 280.372 -0.998 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925513567 658857098 /nfs/dbraw/zinc/85/70/98/658857098.db2.gz KBPZBPGJCIRRHH-ZIAGYGMSSA-N 2 1 271.405 -0.079 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1NCC(=O)N1CC[NH+](C)CC1 ZINC000925617068 658861783 /nfs/dbraw/zinc/86/17/83/658861783.db2.gz PQXPONVXTMHPLN-RYUDHWBXSA-N 2 1 254.378 -0.510 20 0 CBADMP OCC[N@H+]1CCCC[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925681161 658865795 /nfs/dbraw/zinc/86/57/95/658865795.db2.gz SYRBXSNTMJYPLM-CHWSQXEVSA-N 2 1 257.378 -0.589 20 0 CBADMP CNS(=O)(=O)CCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925724327 658867793 /nfs/dbraw/zinc/86/77/93/658867793.db2.gz AFPKGJLCJMOGRY-NGDQXYMTSA-N 2 1 273.402 -0.488 20 0 CBADMP COC(=O)CCNC(=O)CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925720145 658868162 /nfs/dbraw/zinc/86/81/62/658868162.db2.gz XBLPWCVXKYGKPA-MNOVXSKESA-N 2 1 271.361 -0.214 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925724668 658868186 /nfs/dbraw/zinc/86/81/86/658868186.db2.gz LMTMDNYEAJJBNJ-NWDGAFQWSA-N 2 1 257.378 -0.590 20 0 CBADMP 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 658868815 /nfs/dbraw/zinc/86/88/15/658868815.db2.gz TZYVLVIKNFDFLI-VZKILSJISA-N 2 1 251.374 -0.361 20 0 CBADMP C(C[N@H+]1CCC[C@@H](N[C@@H]2CC[NH2+]C2)C1)N1CCOCC1 ZINC000925769669 658870809 /nfs/dbraw/zinc/87/08/09/658870809.db2.gz QJASUQXOMGYIOX-HUUCEWRRSA-N 2 1 282.432 -0.266 20 0 CBADMP C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)C1C[NH2+]C1 ZINC000925774143 658871066 /nfs/dbraw/zinc/87/10/66/658871066.db2.gz KSLBUCJCAIGMML-SECBINFHSA-N 2 1 261.391 -0.392 20 0 CBADMP O=C1NCCN1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000925776760 658871203 /nfs/dbraw/zinc/87/12/03/658871203.db2.gz IVQXQOGIRNWSEB-XQQFMLRXSA-N 2 1 282.388 -0.242 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC2[C@@H]3CC[C@H]2C[N@H+](C)C3)C1 ZINC000926174929 658888308 /nfs/dbraw/zinc/88/83/08/658888308.db2.gz TVYNIXXFIHOXCQ-QNMSZWNNSA-N 2 1 253.390 -0.017 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC2[C@@H]3CC[C@H]2C[NH+](C)C3)C1 ZINC000926174929 658888304 /nfs/dbraw/zinc/88/83/04/658888304.db2.gz TVYNIXXFIHOXCQ-QNMSZWNNSA-N 2 1 253.390 -0.017 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC2[C@@H]3CC[C@H]2C[N@@H+](C)C3)C1 ZINC000926174929 658888305 /nfs/dbraw/zinc/88/83/05/658888305.db2.gz TVYNIXXFIHOXCQ-QNMSZWNNSA-N 2 1 253.390 -0.017 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C[C@H]1[NH3+] ZINC000926311775 658892258 /nfs/dbraw/zinc/89/22/58/658892258.db2.gz GPWCBQCCVZQFTE-FRRDWIJNSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)C[C@H]1[NH3+] ZINC000926337959 658894049 /nfs/dbraw/zinc/89/40/49/658894049.db2.gz UCSLYROOHNFELN-YVECIDJPSA-N 2 1 294.399 -0.513 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1[NH3+] ZINC000926345483 658895776 /nfs/dbraw/zinc/89/57/76/658895776.db2.gz CPQZYXUGKQMJKE-FVCCEPFGSA-N 2 1 294.399 -0.513 20 0 CBADMP 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 658895943 /nfs/dbraw/zinc/89/59/43/658895943.db2.gz PSNCRSNCFRDBQO-FDYHWXHSSA-N 2 1 296.415 -0.267 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000926442376 658900979 /nfs/dbraw/zinc/90/09/79/658900979.db2.gz HWUFYPYRUDZJLN-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000926442376 658900982 /nfs/dbraw/zinc/90/09/82/658900982.db2.gz HWUFYPYRUDZJLN-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CC[C@@H](O)C1 ZINC000926766151 658913914 /nfs/dbraw/zinc/91/39/14/658913914.db2.gz ABEDCRXLHRJKMB-RBKKPWLPSA-N 2 1 253.390 -0.017 20 0 CBADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCC[NH+]1CC[C@@H](O)C1 ZINC000926766151 658913916 /nfs/dbraw/zinc/91/39/16/658913916.db2.gz ABEDCRXLHRJKMB-RBKKPWLPSA-N 2 1 253.390 -0.017 20 0 CBADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCC[NH+]1CC[C@@H](O)C1 ZINC000926766151 658913918 /nfs/dbraw/zinc/91/39/18/658913918.db2.gz ABEDCRXLHRJKMB-RBKKPWLPSA-N 2 1 253.390 -0.017 20 0 CBADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2NCC[N@@H+]1CC[C@@H](O)C1 ZINC000926766151 658913920 /nfs/dbraw/zinc/91/39/20/658913920.db2.gz ABEDCRXLHRJKMB-RBKKPWLPSA-N 2 1 253.390 -0.017 20 0 CBADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2NCC[N@H+]1CC[C@@H](O)C1 ZINC000926766151 658913924 /nfs/dbraw/zinc/91/39/24/658913924.db2.gz ABEDCRXLHRJKMB-RBKKPWLPSA-N 2 1 253.390 -0.017 20 0 CBADMP C[C@@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968549655 658931070 /nfs/dbraw/zinc/93/10/70/658931070.db2.gz VMQBPKMBGOGHRC-OLZOCXBDSA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968549657 658931943 /nfs/dbraw/zinc/93/19/43/658931943.db2.gz VMQBPKMBGOGHRC-STQMWFEESA-N 2 1 281.400 -0.099 20 0 CBADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968912492 658944551 /nfs/dbraw/zinc/94/45/51/658944551.db2.gz IQXIGNIBHSTWGI-VXGBXAGGSA-N 2 1 278.356 -0.057 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969356882 658977974 /nfs/dbraw/zinc/97/79/74/658977974.db2.gz UKTYDKMZWPGVPD-LLVKDONJSA-N 2 1 252.318 -0.626 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000969356356 658979251 /nfs/dbraw/zinc/97/92/51/658979251.db2.gz DSBARYKHXXGFNW-VXGBXAGGSA-N 2 1 291.355 -0.729 20 0 CBADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC000969722886 659013063 /nfs/dbraw/zinc/01/30/63/659013063.db2.gz UERYVYAHHWAQDQ-ZDEQEGDKSA-N 2 1 296.415 -0.219 20 0 CBADMP Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000970719767 659070101 /nfs/dbraw/zinc/07/01/01/659070101.db2.gz KYXIAAKGKTWFRQ-GFCCVEGCSA-N 2 1 292.387 -0.399 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970868930 659073891 /nfs/dbraw/zinc/07/38/91/659073891.db2.gz OIFAGZVHEBKQRK-NEPJUHHUSA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970868930 659073896 /nfs/dbraw/zinc/07/38/96/659073896.db2.gz OIFAGZVHEBKQRK-NEPJUHHUSA-N 2 1 296.415 -0.537 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000929089553 659088112 /nfs/dbraw/zinc/08/81/12/659088112.db2.gz FAZIXQSIOUCGLU-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000929089553 659088117 /nfs/dbraw/zinc/08/81/17/659088117.db2.gz FAZIXQSIOUCGLU-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(N)=O)C2)CC[N@@H+]1C ZINC000971564206 659094310 /nfs/dbraw/zinc/09/43/10/659094310.db2.gz VHXVAXAMKPHTGR-GRYCIOLGSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(N)=O)C2)CC[N@H+]1C ZINC000971564206 659094314 /nfs/dbraw/zinc/09/43/14/659094314.db2.gz VHXVAXAMKPHTGR-GRYCIOLGSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000971564206 659094317 /nfs/dbraw/zinc/09/43/17/659094317.db2.gz VHXVAXAMKPHTGR-GRYCIOLGSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000971564206 659094321 /nfs/dbraw/zinc/09/43/21/659094321.db2.gz VHXVAXAMKPHTGR-GRYCIOLGSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC000972326576 659115412 /nfs/dbraw/zinc/11/54/12/659115412.db2.gz MCDZVKASAAFPTL-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC000972326576 659115415 /nfs/dbraw/zinc/11/54/15/659115415.db2.gz MCDZVKASAAFPTL-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000972326576 659115417 /nfs/dbraw/zinc/11/54/17/659115417.db2.gz MCDZVKASAAFPTL-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000972326576 659115420 /nfs/dbraw/zinc/11/54/20/659115420.db2.gz MCDZVKASAAFPTL-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972735225 659127172 /nfs/dbraw/zinc/12/71/72/659127172.db2.gz KHZUSSQNFVDYGI-QWHCGFSZSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972734897 659127184 /nfs/dbraw/zinc/12/71/84/659127184.db2.gz HCYCXWIRAVZMIC-NEPJUHHUSA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000929508113 659134326 /nfs/dbraw/zinc/13/43/26/659134326.db2.gz AWOLABPUXJWGSO-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000929508113 659134330 /nfs/dbraw/zinc/13/43/30/659134330.db2.gz AWOLABPUXJWGSO-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000929508113 659134334 /nfs/dbraw/zinc/13/43/34/659134334.db2.gz AWOLABPUXJWGSO-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000929508113 659134337 /nfs/dbraw/zinc/13/43/37/659134337.db2.gz AWOLABPUXJWGSO-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000929567953 659142015 /nfs/dbraw/zinc/14/20/15/659142015.db2.gz NINMPOPIHWJCAT-UPJWGTAASA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000929567953 659142018 /nfs/dbraw/zinc/14/20/18/659142018.db2.gz NINMPOPIHWJCAT-UPJWGTAASA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000929567953 659142022 /nfs/dbraw/zinc/14/20/22/659142022.db2.gz NINMPOPIHWJCAT-UPJWGTAASA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000929567953 659142024 /nfs/dbraw/zinc/14/20/24/659142024.db2.gz NINMPOPIHWJCAT-UPJWGTAASA-N 2 1 294.399 -0.450 20 0 CBADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000929627414 659152791 /nfs/dbraw/zinc/15/27/91/659152791.db2.gz IYLUPIGMVTVOIJ-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000929627414 659152793 /nfs/dbraw/zinc/15/27/93/659152793.db2.gz IYLUPIGMVTVOIJ-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)C3(O)CCC3)CC2)C1 ZINC000929980429 659189881 /nfs/dbraw/zinc/18/98/81/659189881.db2.gz KISYZHYFUIVELP-GJZGRUSLSA-N 2 1 297.443 -0.026 20 0 CBADMP C[N@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C)C1CCCC1 ZINC000929996616 659194269 /nfs/dbraw/zinc/19/42/69/659194269.db2.gz MEGBDFNJDACLOH-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C)C1CCCC1 ZINC000929996616 659194272 /nfs/dbraw/zinc/19/42/72/659194272.db2.gz MEGBDFNJDACLOH-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C1CCCC1 ZINC000929996616 659194275 /nfs/dbraw/zinc/19/42/75/659194275.db2.gz MEGBDFNJDACLOH-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)C1CCCC1 ZINC000929996616 659194278 /nfs/dbraw/zinc/19/42/78/659194278.db2.gz MEGBDFNJDACLOH-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](O)[C@H](O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000930113125 659210722 /nfs/dbraw/zinc/21/07/22/659210722.db2.gz CNIJVIFUTJCZCA-TZMCWYRMSA-N 2 1 273.421 -0.314 20 0 CBADMP C[C@H](O)[C@H](O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930136962 659218551 /nfs/dbraw/zinc/21/85/51/659218551.db2.gz PXFASIQTHJUFAS-CBBWQLFWSA-N 2 1 285.432 -0.314 20 0 CBADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000930205463 659234938 /nfs/dbraw/zinc/23/49/38/659234938.db2.gz CPFJEQFHQATULR-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000930205463 659234943 /nfs/dbraw/zinc/23/49/43/659234943.db2.gz CPFJEQFHQATULR-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000930296192 659252046 /nfs/dbraw/zinc/25/20/46/659252046.db2.gz MUXHABUBMKJOFX-AAEUAGOBSA-N 2 1 281.356 -0.046 20 0 CBADMP C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980404866 659270964 /nfs/dbraw/zinc/27/09/64/659270964.db2.gz DNCYDZHMDZXTPD-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000981525797 659321139 /nfs/dbraw/zinc/32/11/39/659321139.db2.gz ZTKCFELOFPOGOE-VXGBXAGGSA-N 2 1 293.371 -0.306 20 0 CBADMP COC(=O)[C@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CC[N@@H+](C)C1 ZINC000930713938 659327829 /nfs/dbraw/zinc/32/78/29/659327829.db2.gz QWAHWUBZFDSDGP-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP COC(=O)[C@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[N@@H+](C)C1 ZINC000930713940 659328048 /nfs/dbraw/zinc/32/80/48/659328048.db2.gz QWAHWUBZFDSDGP-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000930756041 659337155 /nfs/dbraw/zinc/33/71/55/659337155.db2.gz PFBNWJJPGVHZHJ-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000930756041 659337161 /nfs/dbraw/zinc/33/71/61/659337161.db2.gz PFBNWJJPGVHZHJ-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC000985120643 659373200 /nfs/dbraw/zinc/37/32/00/659373200.db2.gz WOBYIJTWFKLVPW-LPWJVIDDSA-N 2 1 294.399 -0.689 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC000985653904 659394319 /nfs/dbraw/zinc/39/43/19/659394319.db2.gz NADWUZHAGLLCEH-YPMHNXCESA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC000985653904 659394324 /nfs/dbraw/zinc/39/43/24/659394324.db2.gz NADWUZHAGLLCEH-YPMHNXCESA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC000985653904 659394330 /nfs/dbraw/zinc/39/43/30/659394330.db2.gz NADWUZHAGLLCEH-YPMHNXCESA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986352348 659446190 /nfs/dbraw/zinc/44/61/90/659446190.db2.gz GKTQQMBSSUWIHX-ZYHUDNBSSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000986459985 659453680 /nfs/dbraw/zinc/45/36/80/659453680.db2.gz DPPKUSXDBFBBNI-JQWIXIFHSA-N 2 1 296.371 -0.079 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC000986576214 659459648 /nfs/dbraw/zinc/45/96/48/659459648.db2.gz RVFWKSOEOUXYMH-RYUDHWBXSA-N 2 1 266.345 -0.237 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000986959307 659485710 /nfs/dbraw/zinc/48/57/10/659485710.db2.gz PBSNYPYSXSMDIV-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CCO)[C@H]1C ZINC000987515629 659511203 /nfs/dbraw/zinc/51/12/03/659511203.db2.gz BVIVOHVHTOYESC-PWSUYJOCSA-N 2 1 266.345 -0.237 20 0 CBADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)CO ZINC000931763059 659523473 /nfs/dbraw/zinc/52/34/73/659523473.db2.gz DSYRZLRKDZBZFO-YPMHNXCESA-N 2 1 251.330 -0.055 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931875366 659538063 /nfs/dbraw/zinc/53/80/63/659538063.db2.gz XPMOASUSOAVOJA-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931875366 659538077 /nfs/dbraw/zinc/53/80/77/659538077.db2.gz XPMOASUSOAVOJA-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931880182 659542165 /nfs/dbraw/zinc/54/21/65/659542165.db2.gz VVGPZRVPZKKNKL-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931880182 659542170 /nfs/dbraw/zinc/54/21/70/659542170.db2.gz VVGPZRVPZKKNKL-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931881987 659544269 /nfs/dbraw/zinc/54/42/69/659544269.db2.gz IJNLMEDHINIIIS-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931881987 659544274 /nfs/dbraw/zinc/54/42/74/659544274.db2.gz IJNLMEDHINIIIS-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931882656 659545206 /nfs/dbraw/zinc/54/52/06/659545206.db2.gz PDWFFUFVOLURHU-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931882656 659545213 /nfs/dbraw/zinc/54/52/13/659545213.db2.gz PDWFFUFVOLURHU-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931881986 659547242 /nfs/dbraw/zinc/54/72/42/659547242.db2.gz IJNLMEDHINIIIS-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931881986 659547255 /nfs/dbraw/zinc/54/72/55/659547255.db2.gz IJNLMEDHINIIIS-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931886752 659551462 /nfs/dbraw/zinc/55/14/62/659551462.db2.gz PNMUEKGJPSESFU-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931886752 659551467 /nfs/dbraw/zinc/55/14/67/659551467.db2.gz PNMUEKGJPSESFU-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931886752 659551480 /nfs/dbraw/zinc/55/14/80/659551480.db2.gz PNMUEKGJPSESFU-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931886752 659551487 /nfs/dbraw/zinc/55/14/87/659551487.db2.gz PNMUEKGJPSESFU-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000931887895 659554289 /nfs/dbraw/zinc/55/42/89/659554289.db2.gz ZCYSUYGITCIJEY-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000931887895 659554296 /nfs/dbraw/zinc/55/42/96/659554296.db2.gz ZCYSUYGITCIJEY-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000931887895 659554304 /nfs/dbraw/zinc/55/43/04/659554304.db2.gz ZCYSUYGITCIJEY-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000931887895 659554310 /nfs/dbraw/zinc/55/43/10/659554310.db2.gz ZCYSUYGITCIJEY-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP CCCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CC[N@H+](C)C1 ZINC000931887868 659554438 /nfs/dbraw/zinc/55/44/38/659554438.db2.gz XZDNXOFLRFJGBZ-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CC[N@@H+](C)C1 ZINC000931887868 659554442 /nfs/dbraw/zinc/55/44/42/659554442.db2.gz XZDNXOFLRFJGBZ-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000931887868 659554447 /nfs/dbraw/zinc/55/44/47/659554447.db2.gz XZDNXOFLRFJGBZ-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCCN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000931887868 659554455 /nfs/dbraw/zinc/55/44/55/659554455.db2.gz XZDNXOFLRFJGBZ-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000931887896 659555002 /nfs/dbraw/zinc/55/50/02/659555002.db2.gz ZCYSUYGITCIJEY-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000931887896 659555008 /nfs/dbraw/zinc/55/50/08/659555008.db2.gz ZCYSUYGITCIJEY-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000931887896 659555013 /nfs/dbraw/zinc/55/50/13/659555013.db2.gz ZCYSUYGITCIJEY-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000931887896 659555023 /nfs/dbraw/zinc/55/50/23/659555023.db2.gz ZCYSUYGITCIJEY-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC000989177074 659574112 /nfs/dbraw/zinc/57/41/12/659574112.db2.gz MBSJGUROOJKOIG-KOLCDFICSA-N 2 1 279.344 -0.744 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989660949 659606133 /nfs/dbraw/zinc/60/61/33/659606133.db2.gz CYXXSWVTFIUYMG-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989660949 659606138 /nfs/dbraw/zinc/60/61/38/659606138.db2.gz CYXXSWVTFIUYMG-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989660949 659606144 /nfs/dbraw/zinc/60/61/44/659606144.db2.gz CYXXSWVTFIUYMG-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989660949 659606149 /nfs/dbraw/zinc/60/61/49/659606149.db2.gz CYXXSWVTFIUYMG-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[NH+](CCCO)CC2)C1 ZINC000989665278 659606338 /nfs/dbraw/zinc/60/63/38/659606338.db2.gz CUOWYKIQTZURMD-ZDUSSCGKSA-N 2 1 269.389 -0.145 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@H+](CCCO)CC2)C1 ZINC000989665278 659606341 /nfs/dbraw/zinc/60/63/41/659606341.db2.gz CUOWYKIQTZURMD-ZDUSSCGKSA-N 2 1 269.389 -0.145 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@@H+](CCCO)CC2)C1 ZINC000989665278 659606350 /nfs/dbraw/zinc/60/63/50/659606350.db2.gz CUOWYKIQTZURMD-ZDUSSCGKSA-N 2 1 269.389 -0.145 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[N@H+](CCO)CC1 ZINC000989673543 659606615 /nfs/dbraw/zinc/60/66/15/659606615.db2.gz QWSMQAWIUFEBNL-UHFFFAOYSA-N 2 1 266.345 -0.282 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[N@@H+](CCO)CC1 ZINC000989673543 659606616 /nfs/dbraw/zinc/60/66/16/659606616.db2.gz QWSMQAWIUFEBNL-UHFFFAOYSA-N 2 1 266.345 -0.282 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC000989799536 659615136 /nfs/dbraw/zinc/61/51/36/659615136.db2.gz MWQHFVAOAVDYST-GXSJLCMTSA-N 2 1 279.344 -0.744 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCO)CC1 ZINC000990276317 659710992 /nfs/dbraw/zinc/71/09/92/659710992.db2.gz GYUMYSKJVDRYJN-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC000990278438 659712150 /nfs/dbraw/zinc/71/21/50/659712150.db2.gz SFKBNHMEISGYNF-QWHCGFSZSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@]2(C)C1 ZINC000933735303 659734755 /nfs/dbraw/zinc/73/47/55/659734755.db2.gz VCMKYLLNTYKFNL-KBXIAJHMSA-N 2 1 284.400 -0.228 20 0 CBADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@]2(C)C1 ZINC000933735303 659734758 /nfs/dbraw/zinc/73/47/58/659734758.db2.gz VCMKYLLNTYKFNL-KBXIAJHMSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@]2(C)C1 ZINC000933735303 659734760 /nfs/dbraw/zinc/73/47/60/659734760.db2.gz VCMKYLLNTYKFNL-KBXIAJHMSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@]2(C)C1 ZINC000933735303 659734762 /nfs/dbraw/zinc/73/47/62/659734762.db2.gz VCMKYLLNTYKFNL-KBXIAJHMSA-N 2 1 284.400 -0.228 20 0 CBADMP C[N@H+]1C[C@@H]2C[NH+](CCCC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000933742797 659736672 /nfs/dbraw/zinc/73/66/72/659736672.db2.gz SUPJSQGEFYVWJX-MFKMUULPSA-N 2 1 268.361 -0.155 20 0 CBADMP C[NH+]1C[C@@H]2C[N@H+](CCCC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000933742797 659736678 /nfs/dbraw/zinc/73/66/78/659736678.db2.gz SUPJSQGEFYVWJX-MFKMUULPSA-N 2 1 268.361 -0.155 20 0 CBADMP C[NH+]1C[C@@H]2C[N@@H+](CCCC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000933742797 659736682 /nfs/dbraw/zinc/73/66/82/659736682.db2.gz SUPJSQGEFYVWJX-MFKMUULPSA-N 2 1 268.361 -0.155 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000990508398 659751977 /nfs/dbraw/zinc/75/19/77/659751977.db2.gz MCOJCINPWYMNAE-QWHCGFSZSA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000990508398 659751988 /nfs/dbraw/zinc/75/19/88/659751988.db2.gz MCOJCINPWYMNAE-QWHCGFSZSA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000990508398 659751999 /nfs/dbraw/zinc/75/19/99/659751999.db2.gz MCOJCINPWYMNAE-QWHCGFSZSA-N 2 1 294.399 -0.498 20 0 CBADMP CO[C@@H]1CCOC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000934038891 659765142 /nfs/dbraw/zinc/76/51/42/659765142.db2.gz IOZQBTFNPYKBFR-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000935980290 659848723 /nfs/dbraw/zinc/84/87/23/659848723.db2.gz HHSVJOFOHAQMCO-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000935980293 659848848 /nfs/dbraw/zinc/84/88/48/659848848.db2.gz HHSVJOFOHAQMCO-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP C[N@@H+](CC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1)C1CCC1 ZINC000995900878 659910669 /nfs/dbraw/zinc/91/06/69/659910669.db2.gz AMFCAGWRSZZMCZ-LBPRGKRZSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995986599 659921056 /nfs/dbraw/zinc/92/10/56/659921056.db2.gz YXWDXHDIFHWHQU-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944167970 659934252 /nfs/dbraw/zinc/93/42/52/659934252.db2.gz HECIMKRMHSUKHE-QWHCGFSZSA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170781 659934390 /nfs/dbraw/zinc/93/43/90/659934390.db2.gz UQFUBFBJTXNYKQ-NEPJUHHUSA-N 2 1 294.399 -0.606 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170781 659934391 /nfs/dbraw/zinc/93/43/91/659934391.db2.gz UQFUBFBJTXNYKQ-NEPJUHHUSA-N 2 1 294.399 -0.606 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944534 659938827 /nfs/dbraw/zinc/93/88/27/659938827.db2.gz NANAKMZPWYXGSF-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000950509027 659993027 /nfs/dbraw/zinc/99/30/27/659993027.db2.gz BDTJTHNFAPLGRG-STQMWFEESA-N 2 1 269.389 -0.289 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000950509027 659993029 /nfs/dbraw/zinc/99/30/29/659993029.db2.gz BDTJTHNFAPLGRG-STQMWFEESA-N 2 1 269.389 -0.289 20 0 CBADMP c1nc2c(c(N3CCN4CC[NH2+]C[C@H]4C3)n1)C[NH2+]C2 ZINC001164392026 718831798 /nfs/dbraw/zinc/83/17/98/718831798.db2.gz MRSORXRYGDNDOL-JTQLQIEISA-N 2 1 260.345 -0.826 20 0 CBADMP C[N@H+]1CCO[C@@H]2CN(c3ncnc4c3CC[NH2+]CC4)C[C@H]21 ZINC001164666298 719370589 /nfs/dbraw/zinc/37/05/89/719370589.db2.gz DRBVEVYVRLBQCL-ZIAGYGMSSA-N 2 1 289.383 -0.316 20 0 CBADMP C[N@H+]1CCO[C@H]2CN(c3ncnc4c3CC[NH2+]C4)C[C@H]21 ZINC001164672579 719380924 /nfs/dbraw/zinc/38/09/24/719380924.db2.gz YPTMQXDUMUXSHM-OLZOCXBDSA-N 2 1 275.356 -0.359 20 0 CBADMP C[N@@H+]1CCO[C@H]2CN(c3ncnc4c3C[NH2+]C4)C[C@@H]21 ZINC001164669710 719384062 /nfs/dbraw/zinc/38/40/62/719384062.db2.gz UYZLGKBIMFHYAW-RYUDHWBXSA-N 2 1 261.329 -0.401 20 0 CBADMP C[N@H+]1CCO[C@H]2CN(c3ncnc4c3C[NH2+]C4)C[C@@H]21 ZINC001164669710 719384066 /nfs/dbraw/zinc/38/40/66/719384066.db2.gz UYZLGKBIMFHYAW-RYUDHWBXSA-N 2 1 261.329 -0.401 20 0 CBADMP C[N@H+]1CCO[C@H]2CN(c3ncc4c(n3)C[NH2+]C4)C[C@@H]21 ZINC001164669302 719392826 /nfs/dbraw/zinc/39/28/26/719392826.db2.gz UQWDXODHOLNGHW-RYUDHWBXSA-N 2 1 261.329 -0.401 20 0 CBADMP C[N@H+]1CCO[C@@H]2CN(c3cc4c(nn3)CC[NH2+]C4)C[C@@H]21 ZINC001164666969 719410837 /nfs/dbraw/zinc/41/08/37/719410837.db2.gz DYZZYYQEHUYBMT-QWHCGFSZSA-N 2 1 275.356 -0.359 20 0 CBADMP C[N@H+]1CCO[C@H]2CN(c3cc4c(nn3)CC[NH2+]C4)C[C@H]21 ZINC001164666967 719411232 /nfs/dbraw/zinc/41/12/32/719411232.db2.gz DYZZYYQEHUYBMT-OLZOCXBDSA-N 2 1 275.356 -0.359 20 0 CBADMP C[N@H+]1CCO[C@H]2CN(c3cc4c(nn3)CC[NH2+]C4)C[C@@H]21 ZINC001164666972 719412115 /nfs/dbraw/zinc/41/21/15/719412115.db2.gz DYZZYYQEHUYBMT-STQMWFEESA-N 2 1 275.356 -0.359 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001076588726 805583191 /nfs/dbraw/zinc/58/31/91/805583191.db2.gz CSXIQUWPPOLMRE-BFHYXJOUSA-N 2 1 297.399 -0.768 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001076588726 805583201 /nfs/dbraw/zinc/58/32/01/805583201.db2.gz CSXIQUWPPOLMRE-BFHYXJOUSA-N 2 1 297.399 -0.768 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001076588726 805583206 /nfs/dbraw/zinc/58/32/06/805583206.db2.gz CSXIQUWPPOLMRE-BFHYXJOUSA-N 2 1 297.399 -0.768 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001076588726 805583212 /nfs/dbraw/zinc/58/32/12/805583212.db2.gz CSXIQUWPPOLMRE-BFHYXJOUSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000227977569 790434278 /nfs/dbraw/zinc/43/42/78/790434278.db2.gz AXQMQMMWDGMNSJ-VXGBXAGGSA-N 2 1 256.350 -0.854 20 0 CBADMP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@H](O)Cn1cccn1 ZINC000227977584 790434451 /nfs/dbraw/zinc/43/44/51/790434451.db2.gz AXQMQMMWDGMNSJ-NWDGAFQWSA-N 2 1 256.350 -0.854 20 0 CBADMP COC[C@@H](C)OC[C@@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000234744623 790439772 /nfs/dbraw/zinc/43/97/72/790439772.db2.gz UZKRVXFBSGSFHX-KGLIPLIRSA-N 2 1 289.420 -0.764 20 0 CBADMP NS(=O)(=O)c1ccc(NCC[NH+]2CCC([NH3+])CC2)nc1 ZINC000321570656 790486033 /nfs/dbraw/zinc/48/60/33/790486033.db2.gz PEIIJAGOQLHHHC-UHFFFAOYSA-N 2 1 299.400 -0.436 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C[C@H](O)C[N@@H+](C)CCOC ZINC000381340199 790518732 /nfs/dbraw/zinc/51/87/32/790518732.db2.gz KJTSVJQOXIBTSX-CHWSQXEVSA-N 2 1 259.394 -0.391 20 0 CBADMP COC1(C(=O)NC[C@H]2CC[N@@H+](C)C2)CC[NH2+]CC1 ZINC000385332243 790539616 /nfs/dbraw/zinc/53/96/16/790539616.db2.gz QJDSKXUYUHQMSE-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP C[NH2+][C@H]1CCCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000386061930 790543970 /nfs/dbraw/zinc/54/39/70/790543970.db2.gz DQOBIUIXHMUMJI-STQMWFEESA-N 2 1 259.394 -0.391 20 0 CBADMP COC1(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH2+]CC1 ZINC000386056980 790545240 /nfs/dbraw/zinc/54/52/40/790545240.db2.gz GMDSBRVWBGDCRN-OLZOCXBDSA-N 2 1 297.399 -0.266 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000385937739 790545928 /nfs/dbraw/zinc/54/59/28/790545928.db2.gz LQPSRBZXHKDBLM-XQQFMLRXSA-N 2 1 259.394 -0.392 20 0 CBADMP CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000388248077 790555995 /nfs/dbraw/zinc/55/59/95/790555995.db2.gz GTTGJJUULFNZOV-NWDGAFQWSA-N 2 1 291.417 -0.669 20 0 CBADMP COC[C@]1(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000387009194 790551688 /nfs/dbraw/zinc/55/16/88/790551688.db2.gz XTWPGUNWOFBBKU-YDHLFZDLSA-N 2 1 297.399 -0.408 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000388803348 790557933 /nfs/dbraw/zinc/55/79/33/790557933.db2.gz UJOPYUMRQUJQOS-KGLIPLIRSA-N 2 1 273.421 -0.014 20 0 CBADMP [NH3+]C1(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000398084082 790594059 /nfs/dbraw/zinc/59/40/59/790594059.db2.gz PCKFHAFEJAJEBN-WDEREUQCSA-N 2 1 253.346 -0.153 20 0 CBADMP C[NH+]1CC2(C1)CCN(S(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC000398703311 790597977 /nfs/dbraw/zinc/59/79/77/790597977.db2.gz KQYBHVPDMRSTAP-UHFFFAOYSA-N 2 1 287.429 -0.047 20 0 CBADMP COC[C@H](C)OC[C@H](O)C[NH2+]CCc1c[nH+]cn1C ZINC000401710535 790606731 /nfs/dbraw/zinc/60/67/31/790606731.db2.gz HUFTZPYTGWPGGB-WCQYABFASA-N 2 1 271.361 -0.035 20 0 CBADMP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCc1c[nH+]cn1C ZINC000401710536 790607756 /nfs/dbraw/zinc/60/77/56/790607756.db2.gz HUFTZPYTGWPGGB-YPMHNXCESA-N 2 1 271.361 -0.035 20 0 CBADMP CCO[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CCOC)C[C@H]1C[NH3+] ZINC000405465711 790618275 /nfs/dbraw/zinc/61/82/75/790618275.db2.gz STWFTLJLRIINBY-HZSPNIEDSA-N 2 1 289.420 -0.779 20 0 CBADMP CCO[C@@H]1CN(C[C@H](O)C[N@@H+](C)CCOC)C[C@H]1C[NH3+] ZINC000405465712 790618624 /nfs/dbraw/zinc/61/86/24/790618624.db2.gz STWFTLJLRIINBY-MGPQQGTHSA-N 2 1 289.420 -0.779 20 0 CBADMP C[N@H+](C[C@H](O)CN1CC[NH+](C)[C@H](CO)C1)C1CC1 ZINC000687589082 790653734 /nfs/dbraw/zinc/65/37/34/790653734.db2.gz HCBUXTVWXCDQLI-STQMWFEESA-N 2 1 257.378 -0.950 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CC[NH+](C)[C@H](CO)C1)C1CC1 ZINC000687589082 790653742 /nfs/dbraw/zinc/65/37/42/790653742.db2.gz HCBUXTVWXCDQLI-STQMWFEESA-N 2 1 257.378 -0.950 20 0 CBADMP C[NH+](C[C@H](O)CN1CC[N@H+](C)[C@H](CO)C1)C1CC1 ZINC000687589082 790653749 /nfs/dbraw/zinc/65/37/49/790653749.db2.gz HCBUXTVWXCDQLI-STQMWFEESA-N 2 1 257.378 -0.950 20 0 CBADMP C[NH+](C[C@H](O)CN1CC[N@@H+](C)[C@H](CO)C1)C1CC1 ZINC000687589082 790653755 /nfs/dbraw/zinc/65/37/55/790653755.db2.gz HCBUXTVWXCDQLI-STQMWFEESA-N 2 1 257.378 -0.950 20 0 CBADMP C[N@@H+]1CCN(C(=O)CC[NH2+]C(C)(C)C)C[C@H]1CO ZINC000687605455 790661071 /nfs/dbraw/zinc/66/10/71/790661071.db2.gz UTHHCKWZEQAGAB-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CCN(C(=O)CC[NH2+]C(C)(C)C)C[C@H]1CO ZINC000687605455 790661074 /nfs/dbraw/zinc/66/10/74/790661074.db2.gz UTHHCKWZEQAGAB-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000690669419 790672469 /nfs/dbraw/zinc/67/24/69/790672469.db2.gz UAJPZOBQTNDGPI-TUAOUCFPSA-N 2 1 275.418 -0.002 20 0 CBADMP C[C@@]1(C[NH3+])CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000695043102 790687595 /nfs/dbraw/zinc/68/75/95/790687595.db2.gz WGXFSKHFUUBVJN-NSHDSACASA-N 2 1 261.391 -0.307 20 0 CBADMP C[C@@]1(C[NH3+])CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000695043102 790687605 /nfs/dbraw/zinc/68/76/05/790687605.db2.gz WGXFSKHFUUBVJN-NSHDSACASA-N 2 1 261.391 -0.307 20 0 CBADMP C[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)CC[C@H]1C[NH3+] ZINC000695399396 790688990 /nfs/dbraw/zinc/68/89/90/790688990.db2.gz JYHPYAFWFCMDJS-UWVGGRQHSA-N 2 1 254.334 -0.545 20 0 CBADMP COCC[N@@H+](CCF)CCC(=O)N1CC[NH2+]CC1 ZINC000697275570 790692400 /nfs/dbraw/zinc/69/24/00/790692400.db2.gz YPWWNIYJGUVCDY-UHFFFAOYSA-N 2 1 261.341 -0.274 20 0 CBADMP CN1CCN(C2C[NH+](CC3CC[NH2+]CC3)C2)CC1 ZINC000700564074 790710887 /nfs/dbraw/zinc/71/08/87/790710887.db2.gz HNITWVGRCCRWPI-UHFFFAOYSA-N 2 1 252.406 -0.082 20 0 CBADMP CC(C)COC[C@H](O)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702571150 790721229 /nfs/dbraw/zinc/72/12/29/790721229.db2.gz WLMXCYYAYJWYRA-CHWSQXEVSA-N 2 1 260.378 -0.324 20 0 CBADMP C[N@@H+](C[C@H](O)CNC[C@]1(O)CC[NH+](C)C1)C1CC1 ZINC000702561633 790722305 /nfs/dbraw/zinc/72/23/05/790722305.db2.gz JHVGNCRZEOECGV-CHWSQXEVSA-N 2 1 257.378 -0.902 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000702561633 790722313 /nfs/dbraw/zinc/72/23/13/790722313.db2.gz JHVGNCRZEOECGV-CHWSQXEVSA-N 2 1 257.378 -0.902 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000702561633 790722320 /nfs/dbraw/zinc/72/23/20/790722320.db2.gz JHVGNCRZEOECGV-CHWSQXEVSA-N 2 1 257.378 -0.902 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(C)C[NH2+]CCO3)C[C@]2(C)C1 ZINC000710783328 790741590 /nfs/dbraw/zinc/74/15/90/790741590.db2.gz LXXBWZQXFXTMCR-KWCYVHTRSA-N 2 1 267.373 -0.225 20 0 CBADMP C[C@H]1[C@H](NC(=O)c2c(C[NH3+])cnn2C)CC[N@H+]1C ZINC000719410861 790761165 /nfs/dbraw/zinc/76/11/65/790761165.db2.gz RPILOUGYNOHBIJ-WCBMZHEXSA-N 2 1 251.334 -0.299 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[NH2+]CCO1 ZINC000720889855 790771829 /nfs/dbraw/zinc/77/18/29/790771829.db2.gz QDHVKCXCVVUIOK-IJLUTSLNSA-N 2 1 253.346 -0.330 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720904873 790774136 /nfs/dbraw/zinc/77/41/36/790774136.db2.gz XMABXWJOFKHCOQ-SRVKXCTJSA-N 2 1 254.378 -0.430 20 0 CBADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000723672682 790802854 /nfs/dbraw/zinc/80/28/54/790802854.db2.gz QRFLDKDEJIZOLB-SECBINFHSA-N 2 1 254.334 -0.355 20 0 CBADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000723672850 790802961 /nfs/dbraw/zinc/80/29/61/790802961.db2.gz SMCKJWBHEMKMJU-RYUDHWBXSA-N 2 1 255.362 -0.048 20 0 CBADMP CO[C@H]1CC[C@H]1[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000724152659 790804909 /nfs/dbraw/zinc/80/49/09/790804909.db2.gz MKAQSXGLIJWZFY-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CCCO1 ZINC000724591492 790808955 /nfs/dbraw/zinc/80/89/55/790808955.db2.gz PFKLLMUHUGTJEG-YVECIDJPSA-N 2 1 256.346 -0.160 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CCCO1 ZINC000724591492 790808970 /nfs/dbraw/zinc/80/89/70/790808970.db2.gz PFKLLMUHUGTJEG-YVECIDJPSA-N 2 1 256.346 -0.160 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)C1CC1 ZINC000724591359 790809396 /nfs/dbraw/zinc/80/93/96/790809396.db2.gz NZHYFARWVQWGTC-CABNGKKXSA-N 2 1 270.373 -0.165 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)C1CC1 ZINC000724591359 790809407 /nfs/dbraw/zinc/80/94/07/790809407.db2.gz NZHYFARWVQWGTC-CABNGKKXSA-N 2 1 270.373 -0.165 20 0 CBADMP COCCOC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000725046795 790816001 /nfs/dbraw/zinc/81/60/01/790816001.db2.gz IDQKHYGRTACGOH-LBPRGKRZSA-N 2 1 276.377 -0.550 20 0 CBADMP COCCOC[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000725046795 790816011 /nfs/dbraw/zinc/81/60/11/790816011.db2.gz IDQKHYGRTACGOH-LBPRGKRZSA-N 2 1 276.377 -0.550 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000828636245 790883611 /nfs/dbraw/zinc/88/36/11/790883611.db2.gz NXOHCGYJHBWGDO-NTZNESFSSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000828636245 790883625 /nfs/dbraw/zinc/88/36/25/790883625.db2.gz NXOHCGYJHBWGDO-NTZNESFSSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000828636245 790883636 /nfs/dbraw/zinc/88/36/36/790883636.db2.gz NXOHCGYJHBWGDO-NTZNESFSSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000828636245 790883647 /nfs/dbraw/zinc/88/36/47/790883647.db2.gz NXOHCGYJHBWGDO-NTZNESFSSA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000828752929 790895431 /nfs/dbraw/zinc/89/54/31/790895431.db2.gz ROFZMYZNULJECN-GUTXKFCHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000828752929 790895442 /nfs/dbraw/zinc/89/54/42/790895442.db2.gz ROFZMYZNULJECN-GUTXKFCHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000828752929 790895452 /nfs/dbraw/zinc/89/54/52/790895452.db2.gz ROFZMYZNULJECN-GUTXKFCHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000828752929 790895459 /nfs/dbraw/zinc/89/54/59/790895459.db2.gz ROFZMYZNULJECN-GUTXKFCHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)C1 ZINC001021460908 790940901 /nfs/dbraw/zinc/94/09/01/790940901.db2.gz ODNMHWVOEWVTFT-ODWCKFRGSA-N 2 1 294.399 -0.465 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)C1 ZINC001021460908 790940915 /nfs/dbraw/zinc/94/09/15/790940915.db2.gz ODNMHWVOEWVTFT-ODWCKFRGSA-N 2 1 294.399 -0.465 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)C1 ZINC001021460908 790940927 /nfs/dbraw/zinc/94/09/27/790940927.db2.gz ODNMHWVOEWVTFT-ODWCKFRGSA-N 2 1 294.399 -0.465 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001021897307 790965379 /nfs/dbraw/zinc/96/53/79/790965379.db2.gz HMPQZVSCATUYRI-WHOHXGKFSA-N 2 1 280.372 -0.794 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001021895256 790965919 /nfs/dbraw/zinc/96/59/19/790965919.db2.gz KCEYODRKCVUDFT-TUAOUCFPSA-N 2 1 292.387 -0.354 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001021897561 790966231 /nfs/dbraw/zinc/96/62/31/790966231.db2.gz MRFUCULHEOQVPX-QNWHQSFQSA-N 2 1 294.399 -0.404 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001021906729 790969731 /nfs/dbraw/zinc/96/97/31/790969731.db2.gz WYJMYXSSKCTCSG-JFGNBEQYSA-N 2 1 279.344 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001021906729 790969741 /nfs/dbraw/zinc/96/97/41/790969741.db2.gz WYJMYXSSKCTCSG-JFGNBEQYSA-N 2 1 279.344 -0.099 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCOC3)C2)C1 ZINC001021928521 790970590 /nfs/dbraw/zinc/97/05/90/790970590.db2.gz RHBQQPNASNDPMM-FQUUOJAGSA-N 2 1 297.399 -0.410 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCOC3)C2)C1 ZINC001021928521 790970598 /nfs/dbraw/zinc/97/05/98/790970598.db2.gz RHBQQPNASNDPMM-FQUUOJAGSA-N 2 1 297.399 -0.410 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001022068043 790987156 /nfs/dbraw/zinc/98/71/56/790987156.db2.gz CUIBSZQGWVKMAL-NDBYEHHHSA-N 2 1 296.415 -0.030 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001022076964 790987892 /nfs/dbraw/zinc/98/78/92/790987892.db2.gz GSIYGAMVCAMHEP-WUHRBBMRSA-N 2 1 294.399 -0.417 20 0 CBADMP 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 790989301 /nfs/dbraw/zinc/98/93/01/790989301.db2.gz RLFCDRZKYGTHGM-RNWYCLNJSA-N 2 1 282.388 -0.563 20 0 CBADMP 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 790989431 /nfs/dbraw/zinc/98/94/31/790989431.db2.gz NXYKGGLUUJVEER-UJPOAAIJSA-N 2 1 296.415 -0.173 20 0 CBADMP 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 790989496 /nfs/dbraw/zinc/98/94/96/790989496.db2.gz NXYKGGLUUJVEER-LBELIVKGSA-N 2 1 296.415 -0.173 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001022109721 790991227 /nfs/dbraw/zinc/99/12/27/790991227.db2.gz SHAMTAGBNYDGCH-WHOHXGKFSA-N 2 1 282.388 -0.561 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022166014 790995018 /nfs/dbraw/zinc/99/50/18/790995018.db2.gz JTWZBLWVSHGZBT-GRYCIOLGSA-N 2 1 282.388 -0.417 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022202250 790998417 /nfs/dbraw/zinc/99/84/17/790998417.db2.gz URAJIICQEYTETK-XQQFMLRXSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001022289963 791002464 /nfs/dbraw/zinc/00/24/64/791002464.db2.gz DIVPEINEQVVBNN-WISYIIOYSA-N 2 1 282.388 -0.419 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001022277471 791002783 /nfs/dbraw/zinc/00/27/83/791002783.db2.gz ANVGSNPIDCSWSI-RNJOBUHISA-N 2 1 294.399 -0.275 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001022289962 791003421 /nfs/dbraw/zinc/00/34/21/791003421.db2.gz DIVPEINEQVVBNN-NNYUYHANSA-N 2 1 282.388 -0.419 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001022435781 791014466 /nfs/dbraw/zinc/01/44/66/791014466.db2.gz ACKCBDQIBXVGIO-MXWKQRLJSA-N 2 1 279.344 -0.698 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022584787 791029377 /nfs/dbraw/zinc/02/93/77/791029377.db2.gz FWGILUNLWOOHAQ-RWMBFGLXSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001022715978 791040060 /nfs/dbraw/zinc/04/00/60/791040060.db2.gz OZQFXYJTPGIYSB-ZDEQEGDKSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)C(N)=O ZINC001022712253 791040302 /nfs/dbraw/zinc/04/03/02/791040302.db2.gz NNWHXSVFUYXVPQ-KKOKHZNYSA-N 2 1 282.388 -0.419 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001022713747 791040563 /nfs/dbraw/zinc/04/05/63/791040563.db2.gz MBXMKESTYLXVPD-WUHRBBMRSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001022714526 791040762 /nfs/dbraw/zinc/04/07/62/791040762.db2.gz WFBQWJIXQBHJQS-KKOKHZNYSA-N 2 1 282.388 -0.561 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077002961 805670386 /nfs/dbraw/zinc/67/03/86/805670386.db2.gz NNJJCJNBYXCWJT-YNEHKIRRSA-N 2 1 267.373 -0.491 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)c1nnnn1C ZINC001147886020 814924624 /nfs/dbraw/zinc/92/46/24/814924624.db2.gz RNIXNKCPKJIVLO-QWRGUYRKSA-N 2 1 295.391 -0.681 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1nnnn1C ZINC001147886020 814924628 /nfs/dbraw/zinc/92/46/28/814924628.db2.gz RNIXNKCPKJIVLO-QWRGUYRKSA-N 2 1 295.391 -0.681 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001147892098 814924665 /nfs/dbraw/zinc/92/46/65/814924665.db2.gz HZGNUPPDQHWEGP-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001077679036 805767637 /nfs/dbraw/zinc/76/76/37/805767637.db2.gz FIIUKQKOWJCFOW-IACUBPJLSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)C1 ZINC001077679036 805767640 /nfs/dbraw/zinc/76/76/40/805767640.db2.gz FIIUKQKOWJCFOW-IACUBPJLSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)C1 ZINC001077679036 805767645 /nfs/dbraw/zinc/76/76/45/805767645.db2.gz FIIUKQKOWJCFOW-IACUBPJLSA-N 2 1 281.400 -0.101 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)nn1 ZINC001147886372 814924789 /nfs/dbraw/zinc/92/47/89/814924789.db2.gz VLJSZQGYTQFYOM-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001147886372 814924793 /nfs/dbraw/zinc/92/47/93/814924793.db2.gz VLJSZQGYTQFYOM-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP CCN1CC[C@H]([NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001147886280 814924932 /nfs/dbraw/zinc/92/49/32/814924932.db2.gz SWTYZGBPYVCUQR-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001077676732 805766824 /nfs/dbraw/zinc/76/68/24/805766824.db2.gz HIOARCNKMKHRGV-JHJVBQTASA-N 2 1 287.379 -0.008 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001077676732 805766836 /nfs/dbraw/zinc/76/68/36/805766836.db2.gz HIOARCNKMKHRGV-JHJVBQTASA-N 2 1 287.379 -0.008 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001077676732 805766840 /nfs/dbraw/zinc/76/68/40/805766840.db2.gz HIOARCNKMKHRGV-JHJVBQTASA-N 2 1 287.379 -0.008 20 0 CBADMP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077680513 805769226 /nfs/dbraw/zinc/76/92/26/805769226.db2.gz KOYAXWFXTYOIGW-YNEHKIRRSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001077680513 805769234 /nfs/dbraw/zinc/76/92/34/805769234.db2.gz KOYAXWFXTYOIGW-YNEHKIRRSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001077680513 805769243 /nfs/dbraw/zinc/76/92/43/805769243.db2.gz KOYAXWFXTYOIGW-YNEHKIRRSA-N 2 1 269.389 -0.102 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077818015 805786117 /nfs/dbraw/zinc/78/61/17/805786117.db2.gz FBGXOKKPIPFVHV-CHWSQXEVSA-N 2 1 295.387 -0.761 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCF)C[C@H]2O)C1 ZINC001078006146 805822878 /nfs/dbraw/zinc/82/28/78/805822878.db2.gz UEPJMOUUFSJOPV-JHJVBQTASA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)C1 ZINC001078006146 805822887 /nfs/dbraw/zinc/82/28/87/805822887.db2.gz UEPJMOUUFSJOPV-JHJVBQTASA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)C1 ZINC001078006146 805822898 /nfs/dbraw/zinc/82/28/98/805822898.db2.gz UEPJMOUUFSJOPV-JHJVBQTASA-N 2 1 287.379 -0.151 20 0 CBADMP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179158 805853208 /nfs/dbraw/zinc/85/32/08/805853208.db2.gz VNOOKIBYKZYJFI-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179158 805853216 /nfs/dbraw/zinc/85/32/16/805853216.db2.gz VNOOKIBYKZYJFI-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182062 805853355 /nfs/dbraw/zinc/85/33/55/805853355.db2.gz DOPHPLMVJIAVGA-GHMZBOCLSA-N 2 1 252.318 -0.627 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182062 805853362 /nfs/dbraw/zinc/85/33/62/805853362.db2.gz DOPHPLMVJIAVGA-GHMZBOCLSA-N 2 1 252.318 -0.627 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001078367937 805875059 /nfs/dbraw/zinc/87/50/59/805875059.db2.gz WGOHQGHJRULTBP-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001078367937 805875068 /nfs/dbraw/zinc/87/50/68/805875068.db2.gz WGOHQGHJRULTBP-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418768 805875890 /nfs/dbraw/zinc/87/58/90/805875890.db2.gz WACRJECOLYATQX-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418768 805875893 /nfs/dbraw/zinc/87/58/93/805875893.db2.gz WACRJECOLYATQX-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001147900683 814926425 /nfs/dbraw/zinc/92/64/25/814926425.db2.gz UIULCHPYVGBVPP-RYUDHWBXSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079489635 805919711 /nfs/dbraw/zinc/91/97/11/805919711.db2.gz IEVLQPPQOHVPLX-UTUOFQBUSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001079489635 805919720 /nfs/dbraw/zinc/91/97/20/805919720.db2.gz IEVLQPPQOHVPLX-UTUOFQBUSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001079489635 805919727 /nfs/dbraw/zinc/91/97/27/805919727.db2.gz IEVLQPPQOHVPLX-UTUOFQBUSA-N 2 1 255.362 -0.491 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970258 814927297 /nfs/dbraw/zinc/92/72/97/814927297.db2.gz DJSUJQJVJMGPFH-UHFFFAOYSA-N 2 1 278.360 -0.883 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080382538 805975568 /nfs/dbraw/zinc/97/55/68/805975568.db2.gz QAHNMISOAGKFCO-NTZNESFSSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080382538 805975574 /nfs/dbraw/zinc/97/55/74/805975574.db2.gz QAHNMISOAGKFCO-NTZNESFSSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383529 805976401 /nfs/dbraw/zinc/97/64/01/805976401.db2.gz IZNHKNVCRJYFMK-DGCLKSJQSA-N 2 1 269.389 -0.243 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001147970165 814927548 /nfs/dbraw/zinc/92/75/48/814927548.db2.gz AZUYQUXOBLGORF-UHFFFAOYSA-N 2 1 278.360 -0.883 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)c1nnnn1C ZINC001147977173 814927894 /nfs/dbraw/zinc/92/78/94/814927894.db2.gz MCMTUSGCCRJWIN-JTQLQIEISA-N 2 1 293.375 -0.927 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694837 806116393 /nfs/dbraw/zinc/11/63/93/806116393.db2.gz SMCKTWTXCGCRKA-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081694837 806116396 /nfs/dbraw/zinc/11/63/96/806116396.db2.gz SMCKTWTXCGCRKA-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081694837 806116399 /nfs/dbraw/zinc/11/63/99/806116399.db2.gz SMCKTWTXCGCRKA-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949436 806134417 /nfs/dbraw/zinc/13/44/17/806134417.db2.gz PCGXAORXSYLTIB-JHJVBQTASA-N 2 1 296.371 -0.612 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949436 806134424 /nfs/dbraw/zinc/13/44/24/806134424.db2.gz PCGXAORXSYLTIB-JHJVBQTASA-N 2 1 296.371 -0.612 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133690 806147771 /nfs/dbraw/zinc/14/77/71/806147771.db2.gz MPSNJKMXAOEARE-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095853 806145091 /nfs/dbraw/zinc/14/50/91/806145091.db2.gz MAZNCIWEIVIGAK-IACUBPJLSA-N 2 1 299.415 -0.476 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326825 806165283 /nfs/dbraw/zinc/16/52/83/806165283.db2.gz RLDFHGBYDZUVTL-BFHYXJOUSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326825 806165289 /nfs/dbraw/zinc/16/52/89/806165289.db2.gz RLDFHGBYDZUVTL-BFHYXJOUSA-N 2 1 299.415 -0.210 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326825 806165292 /nfs/dbraw/zinc/16/52/92/806165292.db2.gz RLDFHGBYDZUVTL-BFHYXJOUSA-N 2 1 299.415 -0.210 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326891 806165519 /nfs/dbraw/zinc/16/55/19/806165519.db2.gz UFYDNCORTVVWOF-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326891 806165524 /nfs/dbraw/zinc/16/55/24/806165524.db2.gz UFYDNCORTVVWOF-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326891 806165527 /nfs/dbraw/zinc/16/55/27/806165527.db2.gz UFYDNCORTVVWOF-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369636 806171302 /nfs/dbraw/zinc/17/13/02/806171302.db2.gz VEYDQVKDCWHPEY-IJLUTSLNSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082369636 806171306 /nfs/dbraw/zinc/17/13/06/806171306.db2.gz VEYDQVKDCWHPEY-IJLUTSLNSA-N 2 1 255.362 -0.227 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082369636 806171311 /nfs/dbraw/zinc/17/13/11/806171311.db2.gz VEYDQVKDCWHPEY-IJLUTSLNSA-N 2 1 255.362 -0.227 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082508344 806184796 /nfs/dbraw/zinc/18/47/96/806184796.db2.gz ZZWSVWLAZCFMPJ-JHJVBQTASA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CCO ZINC001082596638 806186293 /nfs/dbraw/zinc/18/62/93/806186293.db2.gz TZJYPDCWIBURGL-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCO)C2)C1 ZINC001082703522 806190822 /nfs/dbraw/zinc/19/08/22/806190822.db2.gz ZKYJRYPBCZHCOG-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCO)C2)C1 ZINC001082703522 806190829 /nfs/dbraw/zinc/19/08/29/806190829.db2.gz ZKYJRYPBCZHCOG-MGPQQGTHSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1[NH2+]CCO ZINC001082887300 806197379 /nfs/dbraw/zinc/19/73/79/806197379.db2.gz OMVOFLUXFZUGRC-NFAWXSAZSA-N 2 1 281.400 -0.099 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082943368 806198636 /nfs/dbraw/zinc/19/86/36/806198636.db2.gz GKAUTVIEXYBNRJ-UPJWGTAASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)CC[N@@H+]1C ZINC001083085621 806225825 /nfs/dbraw/zinc/22/58/25/806225825.db2.gz BNTWZHJHTIQFBN-YIYPIFLZSA-N 2 1 297.399 -0.770 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)CC[N@H+]1C ZINC001083085621 806225832 /nfs/dbraw/zinc/22/58/32/806225832.db2.gz BNTWZHJHTIQFBN-YIYPIFLZSA-N 2 1 297.399 -0.770 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)CC[NH+]1C ZINC001083085621 806225839 /nfs/dbraw/zinc/22/58/39/806225839.db2.gz BNTWZHJHTIQFBN-YIYPIFLZSA-N 2 1 297.399 -0.770 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)CC[NH+]1C ZINC001083085621 806225846 /nfs/dbraw/zinc/22/58/46/806225846.db2.gz BNTWZHJHTIQFBN-YIYPIFLZSA-N 2 1 297.399 -0.770 20 0 CBADMP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21)C1CCC1 ZINC001083106435 806227390 /nfs/dbraw/zinc/22/73/90/806227390.db2.gz CFBHHMCNPZIHPY-UONOGXRCSA-N 2 1 297.399 -0.625 20 0 CBADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21)C1CCC1 ZINC001083106435 806227395 /nfs/dbraw/zinc/22/73/95/806227395.db2.gz CFBHHMCNPZIHPY-UONOGXRCSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21)C1CCC1 ZINC001083106435 806227399 /nfs/dbraw/zinc/22/73/99/806227399.db2.gz CFBHHMCNPZIHPY-UONOGXRCSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21)C1CCC1 ZINC001083106435 806227406 /nfs/dbraw/zinc/22/74/06/806227406.db2.gz CFBHHMCNPZIHPY-UONOGXRCSA-N 2 1 297.399 -0.625 20 0 CBADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCOC)C[C@@H]21)[NH+](C)C ZINC001083195571 806236593 /nfs/dbraw/zinc/23/65/93/806236593.db2.gz CFFNENMWDCJEKZ-MELADBBJSA-N 2 1 299.415 -0.115 20 0 CBADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCOC)C[C@@H]21)[NH+](C)C ZINC001083195571 806236598 /nfs/dbraw/zinc/23/65/98/806236598.db2.gz CFFNENMWDCJEKZ-MELADBBJSA-N 2 1 299.415 -0.115 20 0 CBADMP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373074 806290247 /nfs/dbraw/zinc/29/02/47/806290247.db2.gz QPXZTPKDPSDEJG-AGIUHOORSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373074 806290251 /nfs/dbraw/zinc/29/02/51/806290251.db2.gz QPXZTPKDPSDEJG-AGIUHOORSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083373074 806290255 /nfs/dbraw/zinc/29/02/55/806290255.db2.gz QPXZTPKDPSDEJG-AGIUHOORSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083373074 806290259 /nfs/dbraw/zinc/29/02/59/806290259.db2.gz QPXZTPKDPSDEJG-AGIUHOORSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466479 806335487 /nfs/dbraw/zinc/33/54/87/806335487.db2.gz WCUYXAPYEKDIJA-MJBXVCDLSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)CC[N@H+]1C ZINC001083472501 806337075 /nfs/dbraw/zinc/33/70/75/806337075.db2.gz BASSWFRGCNOQCI-ZRJCITRHSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)CC[NH+]1C ZINC001083472501 806337083 /nfs/dbraw/zinc/33/70/83/806337083.db2.gz BASSWFRGCNOQCI-ZRJCITRHSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)CC[NH+]1C ZINC001083472501 806337093 /nfs/dbraw/zinc/33/70/93/806337093.db2.gz BASSWFRGCNOQCI-ZRJCITRHSA-N 2 1 281.400 -0.102 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473223 806337406 /nfs/dbraw/zinc/33/74/06/806337406.db2.gz PIGKKRFPSNMMSM-KKOKHZNYSA-N 2 1 255.362 -0.492 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473223 806337414 /nfs/dbraw/zinc/33/74/14/806337414.db2.gz PIGKKRFPSNMMSM-KKOKHZNYSA-N 2 1 255.362 -0.492 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473223 806337423 /nfs/dbraw/zinc/33/74/23/806337423.db2.gz PIGKKRFPSNMMSM-KKOKHZNYSA-N 2 1 255.362 -0.492 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)CC1 ZINC001083749493 806421901 /nfs/dbraw/zinc/42/19/01/806421901.db2.gz CLZYNYNUYNXIAO-KGLIPLIRSA-N 2 1 281.400 -0.101 20 0 CBADMP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957801 806470469 /nfs/dbraw/zinc/47/04/69/806470469.db2.gz OWIAIABQPMMKGX-UPJWGTAASA-N 2 1 297.399 -0.722 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001083953505 806466711 /nfs/dbraw/zinc/46/67/11/806466711.db2.gz VINQNQMYVNGBEV-MCIONIFRSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)C1 ZINC001083953505 806466717 /nfs/dbraw/zinc/46/67/17/806466717.db2.gz VINQNQMYVNGBEV-MCIONIFRSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)C1 ZINC001083953505 806466723 /nfs/dbraw/zinc/46/67/23/806466723.db2.gz VINQNQMYVNGBEV-MCIONIFRSA-N 2 1 281.400 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001083953506 806467777 /nfs/dbraw/zinc/46/77/77/806467777.db2.gz VINQNQMYVNGBEV-MJBXVCDLSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)C1 ZINC001083953506 806467781 /nfs/dbraw/zinc/46/77/81/806467781.db2.gz VINQNQMYVNGBEV-MJBXVCDLSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)C1 ZINC001083953506 806467786 /nfs/dbraw/zinc/46/77/86/806467786.db2.gz VINQNQMYVNGBEV-MJBXVCDLSA-N 2 1 281.400 -0.101 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954849 806468454 /nfs/dbraw/zinc/46/84/54/806468454.db2.gz LLHOPEBMLKXWAO-XQQFMLRXSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083954849 806468460 /nfs/dbraw/zinc/46/84/60/806468460.db2.gz LLHOPEBMLKXWAO-XQQFMLRXSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083954849 806468464 /nfs/dbraw/zinc/46/84/64/806468464.db2.gz LLHOPEBMLKXWAO-XQQFMLRXSA-N 2 1 269.389 -0.102 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954649 806468819 /nfs/dbraw/zinc/46/88/19/806468819.db2.gz AWHFZBJTGNEHEZ-TUAOUCFPSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083954649 806468822 /nfs/dbraw/zinc/46/88/22/806468822.db2.gz AWHFZBJTGNEHEZ-TUAOUCFPSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083954649 806468825 /nfs/dbraw/zinc/46/88/25/806468825.db2.gz AWHFZBJTGNEHEZ-TUAOUCFPSA-N 2 1 255.362 -0.491 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958869 806470654 /nfs/dbraw/zinc/47/06/54/806470654.db2.gz ZYDKOASXFSNDPL-OLZOCXBDSA-N 2 1 279.384 -0.347 20 0 CBADMP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957802 806470393 /nfs/dbraw/zinc/47/03/93/806470393.db2.gz OWIAIABQPMMKGX-XQQFMLRXSA-N 2 1 297.399 -0.722 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060052 806484684 /nfs/dbraw/zinc/48/46/84/806484684.db2.gz FGPDMESDXQARMI-UHTWSYAYSA-N 2 1 296.371 -0.612 20 0 CBADMP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060052 806484692 /nfs/dbraw/zinc/48/46/92/806484692.db2.gz FGPDMESDXQARMI-UHTWSYAYSA-N 2 1 296.371 -0.612 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001084058159 806485212 /nfs/dbraw/zinc/48/52/12/806485212.db2.gz NCKBIJDKKAOPKC-MCIONIFRSA-N 2 1 297.399 -0.720 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001084058159 806485216 /nfs/dbraw/zinc/48/52/16/806485216.db2.gz NCKBIJDKKAOPKC-MCIONIFRSA-N 2 1 297.399 -0.720 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCO)C[C@H]21 ZINC001084231472 806504567 /nfs/dbraw/zinc/50/45/67/806504567.db2.gz BFVKWEJRQCCFSC-FRRDWIJNSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084231472 806504574 /nfs/dbraw/zinc/50/45/74/806504574.db2.gz BFVKWEJRQCCFSC-FRRDWIJNSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084231472 806504579 /nfs/dbraw/zinc/50/45/79/806504579.db2.gz BFVKWEJRQCCFSC-FRRDWIJNSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148174777 814931763 /nfs/dbraw/zinc/93/17/63/814931763.db2.gz UZUMDAJOSXHHQN-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086046199 806639201 /nfs/dbraw/zinc/63/92/01/806639201.db2.gz OSUSFVLHSVLQRC-RNJOBUHISA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086047099 806639240 /nfs/dbraw/zinc/63/92/40/806639240.db2.gz DUZZJJKOQIZKMI-WUHRBBMRSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001086047069 806639610 /nfs/dbraw/zinc/63/96/10/806639610.db2.gz CSFVMNXUUGOETQ-WYUUTHIRSA-N 2 1 282.388 -0.561 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCF)C2)C1 ZINC001086052141 806640700 /nfs/dbraw/zinc/64/07/00/806640700.db2.gz BBBCKFBOLRNACE-TUAOUCFPSA-N 2 1 273.352 -0.229 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCF)C2)C1 ZINC001086052141 806640706 /nfs/dbraw/zinc/64/07/06/806640706.db2.gz BBBCKFBOLRNACE-TUAOUCFPSA-N 2 1 273.352 -0.229 20 0 CBADMP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001023086871 798879954 /nfs/dbraw/zinc/87/99/54/798879954.db2.gz ZVURNLRDAYIRSJ-FVCCEPFGSA-N 2 1 294.399 -0.594 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023084326 798879991 /nfs/dbraw/zinc/87/99/91/798879991.db2.gz NLCVJUHIIOVYQO-SDDRHHMPSA-N 2 1 292.387 -0.496 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC001023086515 798880655 /nfs/dbraw/zinc/88/06/55/798880655.db2.gz ODCIVCRUWXNDFJ-MXWKQRLJSA-N 2 1 279.344 -0.242 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC001023086515 798880662 /nfs/dbraw/zinc/88/06/62/798880662.db2.gz ODCIVCRUWXNDFJ-MXWKQRLJSA-N 2 1 279.344 -0.242 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001023093524 798881803 /nfs/dbraw/zinc/88/18/03/798881803.db2.gz DHBOFUPDRDHKRI-PHIMTYICSA-N 2 1 252.318 -0.579 20 0 CBADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001023445741 798906769 /nfs/dbraw/zinc/90/67/69/798906769.db2.gz ADERGRZEUKPENL-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001023445741 798906771 /nfs/dbraw/zinc/90/67/71/798906771.db2.gz ADERGRZEUKPENL-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001023445741 798906774 /nfs/dbraw/zinc/90/67/74/798906774.db2.gz ADERGRZEUKPENL-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001023445741 798906776 /nfs/dbraw/zinc/90/67/76/798906776.db2.gz ADERGRZEUKPENL-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001024797524 798947976 /nfs/dbraw/zinc/94/79/76/798947976.db2.gz OXGTUSFFKCHJKR-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001024797524 798947979 /nfs/dbraw/zinc/94/79/79/798947979.db2.gz OXGTUSFFKCHJKR-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001024797524 798947982 /nfs/dbraw/zinc/94/79/82/798947982.db2.gz OXGTUSFFKCHJKR-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001024797524 798947984 /nfs/dbraw/zinc/94/79/84/798947984.db2.gz OXGTUSFFKCHJKR-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP 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 798971112 /nfs/dbraw/zinc/97/11/12/798971112.db2.gz FCKCCKMHBQAIPP-OBPIAQAESA-N 2 1 292.383 -0.985 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025707970 798971113 /nfs/dbraw/zinc/97/11/13/798971113.db2.gz FCKCCKMHBQAIPP-OBPIAQAESA-N 2 1 292.383 -0.985 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025707970 798971116 /nfs/dbraw/zinc/97/11/16/798971116.db2.gz FCKCCKMHBQAIPP-OBPIAQAESA-N 2 1 292.383 -0.985 20 0 CBADMP COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719832 798972490 /nfs/dbraw/zinc/97/24/90/798972490.db2.gz ITIJORLWPXKUEO-ODXJTPSBSA-N 2 1 297.399 -0.602 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719832 798972492 /nfs/dbraw/zinc/97/24/92/798972492.db2.gz ITIJORLWPXKUEO-ODXJTPSBSA-N 2 1 297.399 -0.602 20 0 CBADMP COC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001025719832 798972494 /nfs/dbraw/zinc/97/24/94/798972494.db2.gz ITIJORLWPXKUEO-ODXJTPSBSA-N 2 1 297.399 -0.602 20 0 CBADMP COC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001025719832 798972496 /nfs/dbraw/zinc/97/24/96/798972496.db2.gz ITIJORLWPXKUEO-ODXJTPSBSA-N 2 1 297.399 -0.602 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001025787212 798977012 /nfs/dbraw/zinc/97/70/12/798977012.db2.gz AROKOIFXSCBENA-HUGQBSPZSA-N 2 1 293.411 -0.245 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001025820339 798978135 /nfs/dbraw/zinc/97/81/35/798978135.db2.gz OBNCYJOSAOJYNU-PDWCTOEPSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001025820339 798978140 /nfs/dbraw/zinc/97/81/40/798978140.db2.gz OBNCYJOSAOJYNU-PDWCTOEPSA-N 2 1 281.400 -0.102 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001025820339 798978143 /nfs/dbraw/zinc/97/81/43/798978143.db2.gz OBNCYJOSAOJYNU-PDWCTOEPSA-N 2 1 281.400 -0.102 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001026044228 798988094 /nfs/dbraw/zinc/98/80/94/798988094.db2.gz MBJXVMGBKSBLJX-POQQGIQPSA-N 2 1 281.400 -0.123 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001026044228 798988098 /nfs/dbraw/zinc/98/80/98/798988098.db2.gz MBJXVMGBKSBLJX-POQQGIQPSA-N 2 1 281.400 -0.123 20 0 CBADMP COCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001026044228 798988102 /nfs/dbraw/zinc/98/81/02/798988102.db2.gz MBJXVMGBKSBLJX-POQQGIQPSA-N 2 1 281.400 -0.123 20 0 CBADMP 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 798991270 /nfs/dbraw/zinc/99/12/70/798991270.db2.gz GEQXNRFIRTXHFY-XOBFJNJYSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001026140332 798991278 /nfs/dbraw/zinc/99/12/78/798991278.db2.gz GEQXNRFIRTXHFY-XOBFJNJYSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001026140332 798991284 /nfs/dbraw/zinc/99/12/84/798991284.db2.gz GEQXNRFIRTXHFY-XOBFJNJYSA-N 2 1 281.400 -0.245 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](C)O)C[C@H]32)C1 ZINC001026147849 798992528 /nfs/dbraw/zinc/99/25/28/798992528.db2.gz SZKGMJDEJKFONE-DGTMBMJNSA-N 2 1 297.399 -0.866 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](C)O)C[C@H]32)C1 ZINC001026147849 798992532 /nfs/dbraw/zinc/99/25/32/798992532.db2.gz SZKGMJDEJKFONE-DGTMBMJNSA-N 2 1 297.399 -0.866 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](C)O)C[C@H]32)C1 ZINC001026147849 798992539 /nfs/dbraw/zinc/99/25/39/798992539.db2.gz SZKGMJDEJKFONE-DGTMBMJNSA-N 2 1 297.399 -0.866 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](C)O)C[C@H]32)C1 ZINC001026147849 798992543 /nfs/dbraw/zinc/99/25/43/798992543.db2.gz SZKGMJDEJKFONE-DGTMBMJNSA-N 2 1 297.399 -0.866 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](C)O)C[C@H]32)C1 ZINC001026147851 798993128 /nfs/dbraw/zinc/99/31/28/798993128.db2.gz SZKGMJDEJKFONE-PDWCTOEPSA-N 2 1 297.399 -0.866 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](C)O)C[C@H]32)C1 ZINC001026147851 798993132 /nfs/dbraw/zinc/99/31/32/798993132.db2.gz SZKGMJDEJKFONE-PDWCTOEPSA-N 2 1 297.399 -0.866 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](C)O)C[C@H]32)C1 ZINC001026147851 798993136 /nfs/dbraw/zinc/99/31/36/798993136.db2.gz SZKGMJDEJKFONE-PDWCTOEPSA-N 2 1 297.399 -0.866 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](C)O)C[C@H]32)C1 ZINC001026147851 798993139 /nfs/dbraw/zinc/99/31/39/798993139.db2.gz SZKGMJDEJKFONE-PDWCTOEPSA-N 2 1 297.399 -0.866 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026561360 799009629 /nfs/dbraw/zinc/00/96/29/799009629.db2.gz XTPCSNUPTBLJEG-PNESKVBLSA-N 2 1 296.415 -0.027 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026606377 799010681 /nfs/dbraw/zinc/01/06/81/799010681.db2.gz ZXILGXNEBKXQDF-UHFFFAOYSA-N 2 1 293.371 -0.306 20 0 CBADMP C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027346479 799042888 /nfs/dbraw/zinc/04/28/88/799042888.db2.gz IDKLPFHXAOVGTB-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027346479 799042896 /nfs/dbraw/zinc/04/28/96/799042896.db2.gz IDKLPFHXAOVGTB-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001027346479 799042899 /nfs/dbraw/zinc/04/28/99/799042899.db2.gz IDKLPFHXAOVGTB-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001027346479 799042905 /nfs/dbraw/zinc/04/29/05/799042905.db2.gz IDKLPFHXAOVGTB-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](C)C1(C(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)CCC1 ZINC001027440286 799048285 /nfs/dbraw/zinc/04/82/85/799048285.db2.gz BOOHNWFMYQEVNE-LBPRGKRZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](C)C1(C(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)CCC1 ZINC001027440286 799048290 /nfs/dbraw/zinc/04/82/90/799048290.db2.gz BOOHNWFMYQEVNE-LBPRGKRZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1)C1CC1 ZINC001027443785 799048996 /nfs/dbraw/zinc/04/89/96/799048996.db2.gz OBQJOCFBNLPGHG-TZMCWYRMSA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1)C1CC1 ZINC001027443785 799049001 /nfs/dbraw/zinc/04/90/01/799049001.db2.gz OBQJOCFBNLPGHG-TZMCWYRMSA-N 2 1 296.415 -0.265 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027650346 799062776 /nfs/dbraw/zinc/06/27/76/799062776.db2.gz FEUQXJBVNQBBJS-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027650346 799062779 /nfs/dbraw/zinc/06/27/79/799062779.db2.gz FEUQXJBVNQBBJS-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027650346 799062782 /nfs/dbraw/zinc/06/27/82/799062782.db2.gz FEUQXJBVNQBBJS-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027650346 799062785 /nfs/dbraw/zinc/06/27/85/799062785.db2.gz FEUQXJBVNQBBJS-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCO)C2)C1 ZINC001027687137 799064067 /nfs/dbraw/zinc/06/40/67/799064067.db2.gz HYDUHQKQCKWIDP-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCO)C2)C1 ZINC001027687137 799064071 /nfs/dbraw/zinc/06/40/71/799064071.db2.gz HYDUHQKQCKWIDP-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CCO)C2)C1 ZINC001027687137 799064072 /nfs/dbraw/zinc/06/40/72/799064072.db2.gz HYDUHQKQCKWIDP-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCO)C2)C1 ZINC001027687137 799064074 /nfs/dbraw/zinc/06/40/74/799064074.db2.gz HYDUHQKQCKWIDP-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CCO)C2)C1 ZINC001027687139 799064309 /nfs/dbraw/zinc/06/43/09/799064309.db2.gz HYDUHQKQCKWIDP-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CCO)C2)C1 ZINC001027687139 799064313 /nfs/dbraw/zinc/06/43/13/799064313.db2.gz HYDUHQKQCKWIDP-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)CCO)C2)C1 ZINC001027687139 799064321 /nfs/dbraw/zinc/06/43/21/799064321.db2.gz HYDUHQKQCKWIDP-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCO)C2)C1 ZINC001027687139 799064330 /nfs/dbraw/zinc/06/43/30/799064330.db2.gz HYDUHQKQCKWIDP-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681583 799064630 /nfs/dbraw/zinc/06/46/30/799064630.db2.gz YKFWNMMIMXGUCH-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH+](C)CCO)C2)C1 ZINC001027687138 799064875 /nfs/dbraw/zinc/06/48/75/799064875.db2.gz HYDUHQKQCKWIDP-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH+](C)CCO)C2)C1 ZINC001027687138 799064882 /nfs/dbraw/zinc/06/48/82/799064882.db2.gz HYDUHQKQCKWIDP-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@H]([N@H+](C)CCO)C2)C1 ZINC001027687138 799064884 /nfs/dbraw/zinc/06/48/84/799064884.db2.gz HYDUHQKQCKWIDP-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)CCO)C2)C1 ZINC001027687138 799064889 /nfs/dbraw/zinc/06/48/89/799064889.db2.gz HYDUHQKQCKWIDP-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681664 799065629 /nfs/dbraw/zinc/06/56/29/799065629.db2.gz ADXNAFAKDWJGLT-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCO)CC1 ZINC001028117555 799111099 /nfs/dbraw/zinc/11/10/99/799111099.db2.gz QVPDDZNWZWJWOY-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2CC(N)=O)C1 ZINC001028315309 799123332 /nfs/dbraw/zinc/12/33/32/799123332.db2.gz HUBACRZHOZSERX-GHMZBOCLSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(N)=O)C1 ZINC001028315309 799123333 /nfs/dbraw/zinc/12/33/33/799123333.db2.gz HUBACRZHOZSERX-GHMZBOCLSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(N)=O)C1 ZINC001028315309 799123335 /nfs/dbraw/zinc/12/33/35/799123335.db2.gz HUBACRZHOZSERX-GHMZBOCLSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001028315309 799123337 /nfs/dbraw/zinc/12/33/37/799123337.db2.gz HUBACRZHOZSERX-GHMZBOCLSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001028315309 799123338 /nfs/dbraw/zinc/12/33/38/799123338.db2.gz HUBACRZHOZSERX-GHMZBOCLSA-N 2 1 268.361 -0.996 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001028580505 799152835 /nfs/dbraw/zinc/15/28/35/799152835.db2.gz XITGEFHQCHCYTP-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001028580505 799152836 /nfs/dbraw/zinc/15/28/36/799152836.db2.gz XITGEFHQCHCYTP-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028580505 799152838 /nfs/dbraw/zinc/15/28/38/799152838.db2.gz XITGEFHQCHCYTP-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001028757214 799166598 /nfs/dbraw/zinc/16/65/98/799166598.db2.gz AYDYQWFNPIOJOY-UONOGXRCSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001028757214 799166600 /nfs/dbraw/zinc/16/66/00/799166600.db2.gz AYDYQWFNPIOJOY-UONOGXRCSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001028757214 799166602 /nfs/dbraw/zinc/16/66/02/799166602.db2.gz AYDYQWFNPIOJOY-UONOGXRCSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001028762150 799168338 /nfs/dbraw/zinc/16/83/38/799168338.db2.gz GWFGJTSOHRVDHI-XQQFMLRXSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001028762150 799168339 /nfs/dbraw/zinc/16/83/39/799168339.db2.gz GWFGJTSOHRVDHI-XQQFMLRXSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001028762150 799168340 /nfs/dbraw/zinc/16/83/40/799168340.db2.gz GWFGJTSOHRVDHI-XQQFMLRXSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028778811 799169643 /nfs/dbraw/zinc/16/96/43/799169643.db2.gz MFTVFTKKWNYTJM-NEPJUHHUSA-N 2 1 296.415 -0.360 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028986148 799184610 /nfs/dbraw/zinc/18/46/10/799184610.db2.gz PVRLRXNTBCCEIR-STQMWFEESA-N 2 1 296.415 -0.536 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028986148 799184612 /nfs/dbraw/zinc/18/46/12/799184612.db2.gz PVRLRXNTBCCEIR-STQMWFEESA-N 2 1 296.415 -0.536 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028986148 799184617 /nfs/dbraw/zinc/18/46/17/799184617.db2.gz PVRLRXNTBCCEIR-STQMWFEESA-N 2 1 296.415 -0.536 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028985258 799184946 /nfs/dbraw/zinc/18/49/46/799184946.db2.gz JYCMPVOMXPFYFP-NWDGAFQWSA-N 2 1 282.388 -0.878 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028985258 799184950 /nfs/dbraw/zinc/18/49/50/799184950.db2.gz JYCMPVOMXPFYFP-NWDGAFQWSA-N 2 1 282.388 -0.878 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028985258 799184953 /nfs/dbraw/zinc/18/49/53/799184953.db2.gz JYCMPVOMXPFYFP-NWDGAFQWSA-N 2 1 282.388 -0.878 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)C1 ZINC001028987206 799184970 /nfs/dbraw/zinc/18/49/70/799184970.db2.gz WBWCSMLXDWRYKN-NEPJUHHUSA-N 2 1 255.362 -0.632 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+](CCO)C2)C1 ZINC001028987206 799184972 /nfs/dbraw/zinc/18/49/72/799184972.db2.gz WBWCSMLXDWRYKN-NEPJUHHUSA-N 2 1 255.362 -0.632 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001028987206 799184974 /nfs/dbraw/zinc/18/49/74/799184974.db2.gz WBWCSMLXDWRYKN-NEPJUHHUSA-N 2 1 255.362 -0.632 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCOC)C2)C1 ZINC001028996844 799185255 /nfs/dbraw/zinc/18/52/55/799185255.db2.gz KHBQFYVRKPLZTN-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCOC)C2)C1 ZINC001028996844 799185259 /nfs/dbraw/zinc/18/52/59/799185259.db2.gz KHBQFYVRKPLZTN-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](CCOC)C2)C1 ZINC001028996844 799185265 /nfs/dbraw/zinc/18/52/65/799185265.db2.gz KHBQFYVRKPLZTN-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC001028996844 799185268 /nfs/dbraw/zinc/18/52/68/799185268.db2.gz KHBQFYVRKPLZTN-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031578299 799512675 /nfs/dbraw/zinc/51/26/75/799512675.db2.gz WHHNWGWPSDITNG-GFCCVEGCSA-N 2 1 255.362 -0.225 20 0 CBADMP CN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001031585536 799514215 /nfs/dbraw/zinc/51/42/15/799514215.db2.gz YURHJVXXBUKVBA-OLZOCXBDSA-N 2 1 294.399 -0.641 20 0 CBADMP CN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001031585536 799514219 /nfs/dbraw/zinc/51/42/19/799514219.db2.gz YURHJVXXBUKVBA-OLZOCXBDSA-N 2 1 294.399 -0.641 20 0 CBADMP CC(C)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031593618 799517188 /nfs/dbraw/zinc/51/71/88/799517188.db2.gz FRJVKQVOOSQVIC-GFCCVEGCSA-N 2 1 255.362 -0.227 20 0 CBADMP CC(C)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031593618 799517190 /nfs/dbraw/zinc/51/71/90/799517190.db2.gz FRJVKQVOOSQVIC-GFCCVEGCSA-N 2 1 255.362 -0.227 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031666932 799531193 /nfs/dbraw/zinc/53/11/93/799531193.db2.gz UIPILDIPXLMFSE-ZDUSSCGKSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031688950 799533402 /nfs/dbraw/zinc/53/34/02/799533402.db2.gz OILBZQODFMZULL-STQMWFEESA-N 2 1 267.373 -0.083 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031688244 799533711 /nfs/dbraw/zinc/53/37/11/799533711.db2.gz BGEFXVMLQLSOLD-KGLIPLIRSA-N 2 1 297.399 -0.456 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031713654 799536504 /nfs/dbraw/zinc/53/65/04/799536504.db2.gz DIPQZYDAQHMGRN-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765882 799541903 /nfs/dbraw/zinc/54/19/03/799541903.db2.gz SPUGTDFHVNTBTD-NQBHXWOUSA-N 2 1 285.388 -0.866 20 0 CBADMP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765882 799541906 /nfs/dbraw/zinc/54/19/06/799541906.db2.gz SPUGTDFHVNTBTD-NQBHXWOUSA-N 2 1 285.388 -0.866 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001031921524 799562325 /nfs/dbraw/zinc/56/23/25/799562325.db2.gz RWAVCAKUTCWMCO-OCCSQVGLSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCCO)C2)C1 ZINC001031923320 799562708 /nfs/dbraw/zinc/56/27/08/799562708.db2.gz ZIAOUHVZJPJUII-AWEZNQCLSA-N 2 1 299.415 -0.474 20 0 CBADMP CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001032186163 799590597 /nfs/dbraw/zinc/59/05/97/799590597.db2.gz JKRIXLZPHGEBPU-QWHCGFSZSA-N 2 1 294.399 -0.783 20 0 CBADMP CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001032186163 799590602 /nfs/dbraw/zinc/59/06/02/799590602.db2.gz JKRIXLZPHGEBPU-QWHCGFSZSA-N 2 1 294.399 -0.783 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032185702 799591128 /nfs/dbraw/zinc/59/11/28/799591128.db2.gz BGTBZBAKADCDAW-YPMHNXCESA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032185702 799591132 /nfs/dbraw/zinc/59/11/32/799591132.db2.gz BGTBZBAKADCDAW-YPMHNXCESA-N 2 1 296.415 -0.537 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186930 799591721 /nfs/dbraw/zinc/59/17/21/799591721.db2.gz ZLTAHUVHHJKPPS-RYUDHWBXSA-N 2 1 282.388 -0.750 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186930 799591726 /nfs/dbraw/zinc/59/17/26/799591726.db2.gz ZLTAHUVHHJKPPS-RYUDHWBXSA-N 2 1 282.388 -0.750 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186929 799592216 /nfs/dbraw/zinc/59/22/16/799592216.db2.gz ZLTAHUVHHJKPPS-NWDGAFQWSA-N 2 1 282.388 -0.750 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186929 799592221 /nfs/dbraw/zinc/59/22/21/799592221.db2.gz ZLTAHUVHHJKPPS-NWDGAFQWSA-N 2 1 282.388 -0.750 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@@H](C)COC)C2)C1 ZINC001032197491 799592744 /nfs/dbraw/zinc/59/27/44/799592744.db2.gz LOJKQDKQFZPYEU-GXTWGEPZSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@@H](C)COC)C2)C1 ZINC001032197491 799592748 /nfs/dbraw/zinc/59/27/48/799592748.db2.gz LOJKQDKQFZPYEU-GXTWGEPZSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@@H](C)OC)C2)C1 ZINC001032199785 799593380 /nfs/dbraw/zinc/59/33/80/799593380.db2.gz AABJICQFHXKTKF-TZMCWYRMSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@@H](C)OC)C2)C1 ZINC001032199785 799593383 /nfs/dbraw/zinc/59/33/83/799593383.db2.gz AABJICQFHXKTKF-TZMCWYRMSA-N 2 1 299.415 -0.210 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCO ZINC001032315285 799610160 /nfs/dbraw/zinc/61/01/60/799610160.db2.gz HBBWYVGZXVRWFZ-RWMBFGLXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCO ZINC001032315285 799610161 /nfs/dbraw/zinc/61/01/61/799610161.db2.gz HBBWYVGZXVRWFZ-RWMBFGLXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032315285 799610165 /nfs/dbraw/zinc/61/01/65/799610165.db2.gz HBBWYVGZXVRWFZ-RWMBFGLXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032315285 799610167 /nfs/dbraw/zinc/61/01/67/799610167.db2.gz HBBWYVGZXVRWFZ-RWMBFGLXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)CC[N@@H+]1C ZINC001032588622 799644652 /nfs/dbraw/zinc/64/46/52/799644652.db2.gz KZIQBUTXQXKAQD-XUXIUFHCSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)CC[N@H+]1C ZINC001032588622 799644657 /nfs/dbraw/zinc/64/46/57/799644657.db2.gz KZIQBUTXQXKAQD-XUXIUFHCSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)CC[NH+]1C ZINC001032588622 799644662 /nfs/dbraw/zinc/64/46/62/799644662.db2.gz KZIQBUTXQXKAQD-XUXIUFHCSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)CC[NH+]1C ZINC001032588622 799644667 /nfs/dbraw/zinc/64/46/67/799644667.db2.gz KZIQBUTXQXKAQD-XUXIUFHCSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032840122 799679219 /nfs/dbraw/zinc/67/92/19/799679219.db2.gz UNNBABOICQRBAA-ZDEQEGDKSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032840122 799679224 /nfs/dbraw/zinc/67/92/24/799679224.db2.gz UNNBABOICQRBAA-ZDEQEGDKSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001032840122 799679227 /nfs/dbraw/zinc/67/92/27/799679227.db2.gz UNNBABOICQRBAA-ZDEQEGDKSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001032840122 799679232 /nfs/dbraw/zinc/67/92/32/799679232.db2.gz UNNBABOICQRBAA-ZDEQEGDKSA-N 2 1 296.415 -0.219 20 0 CBADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001032958881 799697401 /nfs/dbraw/zinc/69/74/01/799697401.db2.gz BWRBKBOFULOVPP-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCCO)C1 ZINC001032958881 799697404 /nfs/dbraw/zinc/69/74/04/799697404.db2.gz BWRBKBOFULOVPP-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCCO)C1 ZINC001032958881 799697405 /nfs/dbraw/zinc/69/74/05/799697405.db2.gz BWRBKBOFULOVPP-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CCO)C1 ZINC001033199579 799727097 /nfs/dbraw/zinc/72/70/97/799727097.db2.gz VRLXLEBTMPUILD-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CCO)C1 ZINC001033199579 799727100 /nfs/dbraw/zinc/72/71/00/799727100.db2.gz VRLXLEBTMPUILD-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CCO)C1 ZINC001033199579 799727103 /nfs/dbraw/zinc/72/71/03/799727103.db2.gz VRLXLEBTMPUILD-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391195 799749495 /nfs/dbraw/zinc/74/94/95/799749495.db2.gz OIKFASSCVTUYEA-YPMHNXCESA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391195 799749502 /nfs/dbraw/zinc/74/95/02/799749502.db2.gz OIKFASSCVTUYEA-YPMHNXCESA-N 2 1 296.415 -0.265 20 0 CBADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CCO)C1 ZINC001033593852 799768823 /nfs/dbraw/zinc/76/88/23/799768823.db2.gz NAGHWUFKSWNNKE-LBPRGKRZSA-N 2 1 267.373 -0.393 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033596472 799771508 /nfs/dbraw/zinc/77/15/08/799771508.db2.gz ZSXKFKXUUCDXRI-QWHCGFSZSA-N 2 1 281.400 -0.004 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CCO)C1 ZINC001033671149 799778158 /nfs/dbraw/zinc/77/81/58/799778158.db2.gz ZLNARQDQGIJVTM-LBPRGKRZSA-N 2 1 266.345 -0.283 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001033671149 799778161 /nfs/dbraw/zinc/77/81/61/799778161.db2.gz ZLNARQDQGIJVTM-LBPRGKRZSA-N 2 1 266.345 -0.283 20 0 CBADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001034040569 799805867 /nfs/dbraw/zinc/80/58/67/799805867.db2.gz VNLDUTZGIXDFTA-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCO)C1 ZINC001034040569 799805872 /nfs/dbraw/zinc/80/58/72/799805872.db2.gz VNLDUTZGIXDFTA-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCO)C1 ZINC001034040569 799805878 /nfs/dbraw/zinc/80/58/78/799805878.db2.gz VNLDUTZGIXDFTA-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001034214973 799823604 /nfs/dbraw/zinc/82/36/04/799823604.db2.gz SOCNBXUBYLODMH-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001034214973 799823606 /nfs/dbraw/zinc/82/36/06/799823606.db2.gz SOCNBXUBYLODMH-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001034214973 799823611 /nfs/dbraw/zinc/82/36/11/799823611.db2.gz SOCNBXUBYLODMH-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001034214973 799823617 /nfs/dbraw/zinc/82/36/17/799823617.db2.gz SOCNBXUBYLODMH-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034524948 799844528 /nfs/dbraw/zinc/84/45/28/799844528.db2.gz JGBMDXKNFXTWTN-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034524948 799844534 /nfs/dbraw/zinc/84/45/34/799844534.db2.gz JGBMDXKNFXTWTN-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034524948 799844538 /nfs/dbraw/zinc/84/45/38/799844538.db2.gz JGBMDXKNFXTWTN-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034524948 799844544 /nfs/dbraw/zinc/84/45/44/799844544.db2.gz JGBMDXKNFXTWTN-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034739186 799854169 /nfs/dbraw/zinc/85/41/69/799854169.db2.gz YUMPTMVPAOUUDM-FDYHWXHSSA-N 2 1 296.415 -0.314 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)C1 ZINC001034734697 799854332 /nfs/dbraw/zinc/85/43/32/799854332.db2.gz VOCYYHSOGQOHFW-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)C1 ZINC001034793239 799856533 /nfs/dbraw/zinc/85/65/33/799856533.db2.gz USFUZOJYHULCEW-IJLUTSLNSA-N 2 1 282.388 -0.560 20 0 CBADMP CN1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC3CC3)CCO2)C1 ZINC001035325840 799892362 /nfs/dbraw/zinc/89/23/62/799892362.db2.gz DCAQCQXFVQNNMN-KGLIPLIRSA-N 2 1 297.399 -0.456 20 0 CBADMP CN1CCO[C@H](C(=O)NC[C@@H]2CN(CC3CC3)CCO2)C1 ZINC001035325840 799892369 /nfs/dbraw/zinc/89/23/69/799892369.db2.gz DCAQCQXFVQNNMN-KGLIPLIRSA-N 2 1 297.399 -0.456 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC3(C[NH+](CCO)C3)CC2)C1 ZINC001035853500 799966125 /nfs/dbraw/zinc/96/61/25/799966125.db2.gz XYGOFPRDWDZJAZ-ZDUSSCGKSA-N 2 1 281.400 -0.145 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036064056 799975995 /nfs/dbraw/zinc/97/59/95/799975995.db2.gz LJSZPKQVCSSBLB-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CCO)CC[N@@H+]1C ZINC001038274146 800091008 /nfs/dbraw/zinc/09/10/08/800091008.db2.gz WVZDWUSWOVTOLF-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CCO)CC[N@H+]1C ZINC001038274146 800091017 /nfs/dbraw/zinc/09/10/17/800091017.db2.gz WVZDWUSWOVTOLF-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCO)CC[NH+]1C ZINC001038274146 800091026 /nfs/dbraw/zinc/09/10/26/800091026.db2.gz WVZDWUSWOVTOLF-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCO)CC[NH+]1C ZINC001038274146 800091035 /nfs/dbraw/zinc/09/10/35/800091035.db2.gz WVZDWUSWOVTOLF-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2CCO)cn1 ZINC001038812117 801252440 /nfs/dbraw/zinc/25/24/40/801252440.db2.gz YPZPUCDOUYRXPX-ZDUSSCGKSA-N 2 1 295.387 -0.759 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CC[N@H+]2CCO)cn1 ZINC001038812117 801252442 /nfs/dbraw/zinc/25/24/42/801252442.db2.gz YPZPUCDOUYRXPX-ZDUSSCGKSA-N 2 1 295.387 -0.759 20 0 CBADMP O=C(NC[C@H]1CC[N@H+]1CCO)C12CC[NH+](CC1)C2 ZINC001038921114 801268035 /nfs/dbraw/zinc/26/80/35/801268035.db2.gz QGNJKTOYAQMQRO-LLVKDONJSA-N 2 1 253.346 -0.735 20 0 CBADMP O=C(NC[C@H]1CC[N@@H+]1CCO)C12CC[NH+](CC1)C2 ZINC001038921114 801268039 /nfs/dbraw/zinc/26/80/39/801268039.db2.gz QGNJKTOYAQMQRO-LLVKDONJSA-N 2 1 253.346 -0.735 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCn2cncn2)C1 ZINC001039026527 801279291 /nfs/dbraw/zinc/27/92/91/801279291.db2.gz GSEBZAJHFMRIPA-STQMWFEESA-N 2 1 292.387 -0.580 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCn2cncn2)C1 ZINC001039026527 801279299 /nfs/dbraw/zinc/27/92/99/801279299.db2.gz GSEBZAJHFMRIPA-STQMWFEESA-N 2 1 292.387 -0.580 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)C1 ZINC001039026527 801279302 /nfs/dbraw/zinc/27/93/02/801279302.db2.gz GSEBZAJHFMRIPA-STQMWFEESA-N 2 1 292.387 -0.580 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)C1 ZINC001039026527 801279308 /nfs/dbraw/zinc/27/93/08/801279308.db2.gz GSEBZAJHFMRIPA-STQMWFEESA-N 2 1 292.387 -0.580 20 0 CBADMP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001042747027 801516802 /nfs/dbraw/zinc/51/68/02/801516802.db2.gz YWHODCQLSOCDGO-DMDPSCGWSA-N 2 1 269.389 -0.150 20 0 CBADMP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001042747027 801516804 /nfs/dbraw/zinc/51/68/04/801516804.db2.gz YWHODCQLSOCDGO-DMDPSCGWSA-N 2 1 269.389 -0.150 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001044683927 801662355 /nfs/dbraw/zinc/66/23/55/801662355.db2.gz GVBOUZWNMMSEHN-JQWIXIFHSA-N 2 1 293.371 -0.354 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001044780612 801669560 /nfs/dbraw/zinc/66/95/60/801669560.db2.gz QLTPSYTZHACARL-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001044865839 801673800 /nfs/dbraw/zinc/67/38/00/801673800.db2.gz REOGUYPWWRYNAJ-ZYHUDNBSSA-N 2 1 293.371 -0.354 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045639644 801707739 /nfs/dbraw/zinc/70/77/39/801707739.db2.gz ONHQRPKDPHFFKR-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O)[NH+](C)C ZINC001045802849 801713978 /nfs/dbraw/zinc/71/39/78/801713978.db2.gz SZHZVDLXQFFIOS-FRRDWIJNSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O)[NH+](C)C ZINC001045802849 801713980 /nfs/dbraw/zinc/71/39/80/801713980.db2.gz SZHZVDLXQFFIOS-FRRDWIJNSA-N 2 1 296.415 -0.123 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)C1 ZINC001045891499 801714839 /nfs/dbraw/zinc/71/48/39/801714839.db2.gz USNJVIYCXYVDDV-UPJWGTAASA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)C1 ZINC001045891499 801714843 /nfs/dbraw/zinc/71/48/43/801714843.db2.gz USNJVIYCXYVDDV-UPJWGTAASA-N 2 1 294.399 -0.511 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)C1 ZINC001045891499 801714850 /nfs/dbraw/zinc/71/48/50/801714850.db2.gz USNJVIYCXYVDDV-UPJWGTAASA-N 2 1 294.399 -0.511 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)C1 ZINC001045891499 801714856 /nfs/dbraw/zinc/71/48/56/801714856.db2.gz USNJVIYCXYVDDV-UPJWGTAASA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCO)C1 ZINC001046197859 801739387 /nfs/dbraw/zinc/73/93/87/801739387.db2.gz RSRBTTDPVHIQEZ-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCO)C1 ZINC001046197859 801739392 /nfs/dbraw/zinc/73/93/92/801739392.db2.gz RSRBTTDPVHIQEZ-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001046197859 801739393 /nfs/dbraw/zinc/73/93/93/801739393.db2.gz RSRBTTDPVHIQEZ-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCO)C1 ZINC001046197858 801739459 /nfs/dbraw/zinc/73/94/59/801739459.db2.gz RSRBTTDPVHIQEZ-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CCO)C1 ZINC001046197858 801739461 /nfs/dbraw/zinc/73/94/61/801739461.db2.gz RSRBTTDPVHIQEZ-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001046197858 801739465 /nfs/dbraw/zinc/73/94/65/801739465.db2.gz RSRBTTDPVHIQEZ-DGCLKSJQSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)CC[N@H+]1C ZINC001046330072 801751845 /nfs/dbraw/zinc/75/18/45/801751845.db2.gz WADRVUKYVXRGSM-YRGRVCCFSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@H+](CCO)C2)CC[NH+]1C ZINC001046330072 801751848 /nfs/dbraw/zinc/75/18/48/801751848.db2.gz WADRVUKYVXRGSM-YRGRVCCFSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001046330072 801751852 /nfs/dbraw/zinc/75/18/52/801751852.db2.gz WADRVUKYVXRGSM-YRGRVCCFSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046327131 801753626 /nfs/dbraw/zinc/75/36/26/801753626.db2.gz AWPCKSMMPWFSIG-LALPHHSUSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046327131 801753629 /nfs/dbraw/zinc/75/36/29/801753629.db2.gz AWPCKSMMPWFSIG-LALPHHSUSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046327131 801753632 /nfs/dbraw/zinc/75/36/32/801753632.db2.gz AWPCKSMMPWFSIG-LALPHHSUSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046327131 801753636 /nfs/dbraw/zinc/75/36/36/801753636.db2.gz AWPCKSMMPWFSIG-LALPHHSUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)CC1 ZINC001046589002 801777380 /nfs/dbraw/zinc/77/73/80/801777380.db2.gz WTIQGCXQOHBNGY-CQSZACIVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)C1 ZINC001046838123 801795980 /nfs/dbraw/zinc/79/59/80/801795980.db2.gz FITKYEZFIWRJBD-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCO)C2)C1 ZINC001046838123 801795984 /nfs/dbraw/zinc/79/59/84/801795984.db2.gz FITKYEZFIWRJBD-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)C1 ZINC001046838123 801795986 /nfs/dbraw/zinc/79/59/86/801795986.db2.gz FITKYEZFIWRJBD-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CCOC)C2)C1 ZINC001046845907 801798509 /nfs/dbraw/zinc/79/85/09/801798509.db2.gz PHHMRGOUQNCVKV-UKRRQHHQSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CCOC)C2)C1 ZINC001046845907 801798511 /nfs/dbraw/zinc/79/85/11/801798511.db2.gz PHHMRGOUQNCVKV-UKRRQHHQSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCOC)C2)C1 ZINC001046845907 801798515 /nfs/dbraw/zinc/79/85/15/801798515.db2.gz PHHMRGOUQNCVKV-UKRRQHHQSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCOC)C2)C1 ZINC001046845907 801798516 /nfs/dbraw/zinc/79/85/16/801798516.db2.gz PHHMRGOUQNCVKV-UKRRQHHQSA-N 2 1 299.415 -0.066 20 0 CBADMP CCCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047333795 801840860 /nfs/dbraw/zinc/84/08/60/801840860.db2.gz OXNYHCCKTNBVLL-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047333795 801840865 /nfs/dbraw/zinc/84/08/65/801840865.db2.gz OXNYHCCKTNBVLL-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001047333795 801840871 /nfs/dbraw/zinc/84/08/71/801840871.db2.gz OXNYHCCKTNBVLL-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001047333795 801840876 /nfs/dbraw/zinc/84/08/76/801840876.db2.gz OXNYHCCKTNBVLL-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047401575 801864540 /nfs/dbraw/zinc/86/45/40/801864540.db2.gz XTPPOHOIAMDXFR-RDBSUJKOSA-N 2 1 299.415 -0.643 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047401575 801864546 /nfs/dbraw/zinc/86/45/46/801864546.db2.gz XTPPOHOIAMDXFR-RDBSUJKOSA-N 2 1 299.415 -0.643 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047401575 801864552 /nfs/dbraw/zinc/86/45/52/801864552.db2.gz XTPPOHOIAMDXFR-RDBSUJKOSA-N 2 1 299.415 -0.643 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047401575 801864558 /nfs/dbraw/zinc/86/45/58/801864558.db2.gz XTPPOHOIAMDXFR-RDBSUJKOSA-N 2 1 299.415 -0.643 20 0 CBADMP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047429009 801869970 /nfs/dbraw/zinc/86/99/70/801869970.db2.gz VBMOWSFQSFLVCI-MROQNXINSA-N 2 1 285.388 -0.771 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047429009 801869977 /nfs/dbraw/zinc/86/99/77/801869977.db2.gz VBMOWSFQSFLVCI-MROQNXINSA-N 2 1 285.388 -0.771 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001047429009 801869983 /nfs/dbraw/zinc/86/99/83/801869983.db2.gz VBMOWSFQSFLVCI-MROQNXINSA-N 2 1 285.388 -0.771 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001047429009 801869987 /nfs/dbraw/zinc/86/99/87/801869987.db2.gz VBMOWSFQSFLVCI-MROQNXINSA-N 2 1 285.388 -0.771 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001047459157 801876549 /nfs/dbraw/zinc/87/65/49/801876549.db2.gz NGWSUQXMUWBWGY-AGIUHOORSA-N 2 1 296.371 -0.924 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001047459157 801876557 /nfs/dbraw/zinc/87/65/57/801876557.db2.gz NGWSUQXMUWBWGY-AGIUHOORSA-N 2 1 296.371 -0.924 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047514304 801889738 /nfs/dbraw/zinc/88/97/38/801889738.db2.gz ZZOBOPGZPSPBGD-STQMWFEESA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511589 801891588 /nfs/dbraw/zinc/89/15/88/801891588.db2.gz KTEGWPILRGEULN-UBHSHLNASA-N 2 1 299.415 -0.788 20 0 CBADMP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001047528447 801894201 /nfs/dbraw/zinc/89/42/01/801894201.db2.gz RFAXKTCQYPIQSE-RDBSUJKOSA-N 2 1 299.415 -0.522 20 0 CBADMP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047544529 801896603 /nfs/dbraw/zinc/89/66/03/801896603.db2.gz CYICFOKWDLMTKY-RYUDHWBXSA-N 2 1 282.344 -0.898 20 0 CBADMP COCCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047544529 801896608 /nfs/dbraw/zinc/89/66/08/801896608.db2.gz CYICFOKWDLMTKY-RYUDHWBXSA-N 2 1 282.344 -0.898 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047545036 801898392 /nfs/dbraw/zinc/89/83/92/801898392.db2.gz NWYRSMQELHGQOW-WXHSDQCUSA-N 2 1 296.371 -0.509 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001047630178 801914584 /nfs/dbraw/zinc/91/45/84/801914584.db2.gz LXIOTFXEYFCMFM-WXHSDQCUSA-N 2 1 296.371 -0.924 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001047630178 801914591 /nfs/dbraw/zinc/91/45/91/801914591.db2.gz LXIOTFXEYFCMFM-WXHSDQCUSA-N 2 1 296.371 -0.924 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627163 801914958 /nfs/dbraw/zinc/91/49/58/801914958.db2.gz MPJIXZWLAAQIPS-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627616 801915797 /nfs/dbraw/zinc/91/57/97/801915797.db2.gz RXPOTAJUZHNXHI-RDBSUJKOSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048738802 801961355 /nfs/dbraw/zinc/96/13/55/801961355.db2.gz DSHVBTQEADYXCZ-FQUUOJAGSA-N 2 1 297.399 -0.912 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048738802 801961357 /nfs/dbraw/zinc/96/13/57/801961357.db2.gz DSHVBTQEADYXCZ-FQUUOJAGSA-N 2 1 297.399 -0.912 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048738802 801961360 /nfs/dbraw/zinc/96/13/60/801961360.db2.gz DSHVBTQEADYXCZ-FQUUOJAGSA-N 2 1 297.399 -0.912 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048738802 801961364 /nfs/dbraw/zinc/96/13/64/801961364.db2.gz DSHVBTQEADYXCZ-FQUUOJAGSA-N 2 1 297.399 -0.912 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048738804 801961405 /nfs/dbraw/zinc/96/14/05/801961405.db2.gz DSHVBTQEADYXCZ-MQYQWHSLSA-N 2 1 297.399 -0.912 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048738804 801961406 /nfs/dbraw/zinc/96/14/06/801961406.db2.gz DSHVBTQEADYXCZ-MQYQWHSLSA-N 2 1 297.399 -0.912 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048738804 801961410 /nfs/dbraw/zinc/96/14/10/801961410.db2.gz DSHVBTQEADYXCZ-MQYQWHSLSA-N 2 1 297.399 -0.912 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048738804 801961412 /nfs/dbraw/zinc/96/14/12/801961412.db2.gz DSHVBTQEADYXCZ-MQYQWHSLSA-N 2 1 297.399 -0.912 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)C1CC1 ZINC001048863948 801975851 /nfs/dbraw/zinc/97/58/51/801975851.db2.gz QOWVOZKDGOLDLC-MJBXVCDLSA-N 2 1 281.400 -0.291 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001048894520 801978007 /nfs/dbraw/zinc/97/80/07/801978007.db2.gz DTOHWGDOOVHZFV-FRRDWIJNSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001048894520 801978011 /nfs/dbraw/zinc/97/80/11/801978011.db2.gz DTOHWGDOOVHZFV-FRRDWIJNSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001048894520 801978019 /nfs/dbraw/zinc/97/80/19/801978019.db2.gz DTOHWGDOOVHZFV-FRRDWIJNSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)CC1 ZINC001049024856 801993965 /nfs/dbraw/zinc/99/39/65/801993965.db2.gz FZZYUAPATHOOFL-OKILXGFUSA-N 2 1 281.400 -0.289 20 0 CBADMP 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 801994797 /nfs/dbraw/zinc/99/47/97/801994797.db2.gz DCQWYVJSIULOKQ-RVMXOQNASA-N 2 1 296.415 -0.409 20 0 CBADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)[NH+](C)C ZINC001049064309 801995236 /nfs/dbraw/zinc/99/52/36/801995236.db2.gz CPZZZERYNGFUOU-TUAOUCFPSA-N 2 1 282.388 -0.798 20 0 CBADMP Cn1cncc1CCC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049196955 802005944 /nfs/dbraw/zinc/00/59/44/802005944.db2.gz FBJVNBCJQYYWFZ-BETUJISGSA-N 2 1 292.383 -0.265 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001049216138 802007318 /nfs/dbraw/zinc/00/73/18/802007318.db2.gz UZYBXWVZEIWVSD-FPMFFAJLSA-N 2 1 292.383 -0.037 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001049216138 802007342 /nfs/dbraw/zinc/00/73/42/802007342.db2.gz UZYBXWVZEIWVSD-FPMFFAJLSA-N 2 1 292.383 -0.037 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(N)=O)[NH+](C)C ZINC001049726978 802037782 /nfs/dbraw/zinc/03/77/82/802037782.db2.gz HQLUJLPAEGHLHN-XQQFMLRXSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(N)=O)[NH+](C)C ZINC001049726978 802037786 /nfs/dbraw/zinc/03/77/86/802037786.db2.gz HQLUJLPAEGHLHN-XQQFMLRXSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051931468 802172235 /nfs/dbraw/zinc/17/22/35/802172235.db2.gz BLPREJWZTUQMNW-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH2+]C(C)C)C2)C1 ZINC001051939461 802174575 /nfs/dbraw/zinc/17/45/75/802174575.db2.gz YXSRTRSPPINRND-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH2+]C(C)C)C2)C1 ZINC001051939461 802174578 /nfs/dbraw/zinc/17/45/78/802174578.db2.gz YXSRTRSPPINRND-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCCO)CC2)C1 ZINC001052275517 802191213 /nfs/dbraw/zinc/19/12/13/802191213.db2.gz NFFKIQCDASDVFB-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCCO)CC2)C1 ZINC001052275517 802191218 /nfs/dbraw/zinc/19/12/18/802191218.db2.gz NFFKIQCDASDVFB-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](CCCO)CC2)C1 ZINC001052275517 802191222 /nfs/dbraw/zinc/19/12/22/802191222.db2.gz NFFKIQCDASDVFB-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCCO)CC2)C1 ZINC001052275517 802191228 /nfs/dbraw/zinc/19/12/28/802191228.db2.gz NFFKIQCDASDVFB-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052868738 802221472 /nfs/dbraw/zinc/22/14/72/802221472.db2.gz XNJKLJSEYDFGKD-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)C1 ZINC001052868738 802221474 /nfs/dbraw/zinc/22/14/74/802221474.db2.gz XNJKLJSEYDFGKD-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC001052868738 802221485 /nfs/dbraw/zinc/22/14/85/802221485.db2.gz XNJKLJSEYDFGKD-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052868736 802222097 /nfs/dbraw/zinc/22/20/97/802222097.db2.gz XNJKLJSEYDFGKD-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)C1 ZINC001052868736 802222102 /nfs/dbraw/zinc/22/21/02/802222102.db2.gz XNJKLJSEYDFGKD-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC001052868736 802222108 /nfs/dbraw/zinc/22/21/08/802222108.db2.gz XNJKLJSEYDFGKD-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052871376 802222414 /nfs/dbraw/zinc/22/24/14/802222414.db2.gz GOQAMXTTZGTOSB-LBPRGKRZSA-N 2 1 294.399 -0.462 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052932799 802225712 /nfs/dbraw/zinc/22/57/12/802225712.db2.gz SEZZTKACKSFVGF-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)C1 ZINC001052932799 802225719 /nfs/dbraw/zinc/22/57/19/802225719.db2.gz SEZZTKACKSFVGF-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC001052932799 802225727 /nfs/dbraw/zinc/22/57/27/802225727.db2.gz SEZZTKACKSFVGF-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CCO ZINC001054734148 802366792 /nfs/dbraw/zinc/36/67/92/802366792.db2.gz ASXOYZMGWGZGOJ-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210896 814933852 /nfs/dbraw/zinc/93/38/52/814933852.db2.gz WMAIOCBKXLVFPL-UHFFFAOYSA-N 2 1 296.415 -0.439 20 0 CBADMP COCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986906 810985156 /nfs/dbraw/zinc/98/51/56/810985156.db2.gz REDPXZNCAPGSHP-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](CN1CC[NH2+]CC[NH2+]CC1)CS(C)(=O)=O ZINC001119682620 812866402 /nfs/dbraw/zinc/86/64/02/812866402.db2.gz OXOGOOZVSFNLAL-LLVKDONJSA-N 2 1 263.407 -0.838 20 0 CBADMP C[NH2+]CCN(C)C(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001121930860 813091098 /nfs/dbraw/zinc/09/10/98/813091098.db2.gz VUULIRUYUUAVDJ-SECBINFHSA-N 2 1 251.334 -0.334 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001121936642 813092147 /nfs/dbraw/zinc/09/21/47/813092147.db2.gz FLDNYYRFIHMWJS-NDBYEHHHSA-N 2 1 264.373 -0.948 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001122126625 813121704 /nfs/dbraw/zinc/12/17/04/813121704.db2.gz JJNXJDFSNMXGKA-FDYHWXHSSA-N 2 1 266.389 -0.287 20 0 CBADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC001122126630 813121798 /nfs/dbraw/zinc/12/17/98/813121798.db2.gz JJNXJDFSNMXGKA-QNWHQSFQSA-N 2 1 266.389 -0.287 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001122368088 813154744 /nfs/dbraw/zinc/15/47/44/813154744.db2.gz MGUHCRIFZITPMG-UTUOFQBUSA-N 2 1 257.378 -0.197 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC001122367750 813154923 /nfs/dbraw/zinc/15/49/23/813154923.db2.gz BUKDQBBXEHKADQ-GRYCIOLGSA-N 2 1 255.362 -0.049 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294781 814238373 /nfs/dbraw/zinc/23/83/73/814238373.db2.gz UAZZZUKCCUYDBH-UHFFFAOYSA-N 2 1 253.350 -0.422 20 0 CBADMP CC(C)[C@H](C(=O)NCC[NH2+]Cc1nncn1C)[NH+](C)C ZINC001133415583 814250004 /nfs/dbraw/zinc/25/00/04/814250004.db2.gz FFANRXBGAWJYBI-GFCCVEGCSA-N 2 1 282.392 -0.393 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133833905 814304293 /nfs/dbraw/zinc/30/42/93/814304293.db2.gz JGGMHRZCUBLNQP-LBPRGKRZSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cnn(C)n2)C1 ZINC001133842325 814304349 /nfs/dbraw/zinc/30/43/49/814304349.db2.gz LPBRNMXFBHFJLB-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cnn(C)n2)C1 ZINC001133842325 814304356 /nfs/dbraw/zinc/30/43/56/814304356.db2.gz LPBRNMXFBHFJLB-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001133845422 814305190 /nfs/dbraw/zinc/30/51/90/814305190.db2.gz FMHVXEFPVKJZFV-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001133842436 814305308 /nfs/dbraw/zinc/30/53/08/814305308.db2.gz PYPRKEUSSFPJQT-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@@H](C)C2)n1 ZINC001133842436 814305316 /nfs/dbraw/zinc/30/53/16/814305316.db2.gz PYPRKEUSSFPJQT-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)C(=O)NC1CC1 ZINC001133833959 814305452 /nfs/dbraw/zinc/30/54/52/814305452.db2.gz KPEBOFZQZLYEGF-RYUDHWBXSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@@H](C(=O)NCC[NH2+]Cc1ccn(C)n1)[NH+](C)C ZINC001133983014 814333096 /nfs/dbraw/zinc/33/30/96/814333096.db2.gz UYDYKMHFVKCAHC-LBPRGKRZSA-N 2 1 267.377 -0.034 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(N)=O)C2 ZINC001148458702 814946257 /nfs/dbraw/zinc/94/62/57/814946257.db2.gz UGSQCGRJCXZVPN-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001148570997 814950751 /nfs/dbraw/zinc/95/07/51/814950751.db2.gz QRUOEMRPTFZMQX-UHFFFAOYSA-N 2 1 293.433 -0.531 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001148577821 814951502 /nfs/dbraw/zinc/95/15/02/814951502.db2.gz FEUFUYMAFFRYEF-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001148571151 814951598 /nfs/dbraw/zinc/95/15/98/814951598.db2.gz YAKIEHLWCCFAAE-UHFFFAOYSA-N 2 1 298.431 -0.050 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001148570798 814951794 /nfs/dbraw/zinc/95/17/94/814951794.db2.gz MJWUDRAEDZCMPQ-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001148642930 814954020 /nfs/dbraw/zinc/95/40/20/814954020.db2.gz QSTPJZXKCHYAJW-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H]1CCN(CC)C1=O ZINC001148642064 814954786 /nfs/dbraw/zinc/95/47/86/814954786.db2.gz DEQOKPRCTLXWFT-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001148647129 814955148 /nfs/dbraw/zinc/95/51/48/814955148.db2.gz NLIYGKHFMKOKPN-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001148647129 814955155 /nfs/dbraw/zinc/95/51/55/814955155.db2.gz NLIYGKHFMKOKPN-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001148647129 814955162 /nfs/dbraw/zinc/95/51/62/814955162.db2.gz NLIYGKHFMKOKPN-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001148647129 814955171 /nfs/dbraw/zinc/95/51/71/814955171.db2.gz NLIYGKHFMKOKPN-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001148656135 814956257 /nfs/dbraw/zinc/95/62/57/814956257.db2.gz WKLUQOWSHNMDDW-UHFFFAOYSA-N 2 1 297.359 -0.339 20 0 CBADMP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001321481063 803772983 /nfs/dbraw/zinc/77/29/83/803772983.db2.gz UJBFVXITHGHSKM-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001321481063 803772993 /nfs/dbraw/zinc/77/29/93/803772993.db2.gz UJBFVXITHGHSKM-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001321481064 803773416 /nfs/dbraw/zinc/77/34/16/803773416.db2.gz UJBFVXITHGHSKM-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001321481064 803773422 /nfs/dbraw/zinc/77/34/22/803773422.db2.gz UJBFVXITHGHSKM-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CC[NH+](C)C ZINC001321642660 803795215 /nfs/dbraw/zinc/79/52/15/803795215.db2.gz WEMOXKUDXINXOF-SNVBAGLBSA-N 2 1 268.365 -0.639 20 0 CBADMP C[C@H](C[NH+](C)CCOCCO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001322131284 803862555 /nfs/dbraw/zinc/86/25/55/803862555.db2.gz XGFMCNMAOKUQCM-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](C[NH+](C)CCOCCO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001322131284 803862564 /nfs/dbraw/zinc/86/25/64/803862564.db2.gz XGFMCNMAOKUQCM-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](C[NH+](C)CCOCCO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001322131282 803863857 /nfs/dbraw/zinc/86/38/57/803863857.db2.gz XGFMCNMAOKUQCM-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](C[NH+](C)CCOCCO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001322131282 803863860 /nfs/dbraw/zinc/86/38/60/803863860.db2.gz XGFMCNMAOKUQCM-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@H](O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001322648073 803923804 /nfs/dbraw/zinc/92/38/04/803923804.db2.gz IFVPHALTRPRPKJ-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001322757810 803934716 /nfs/dbraw/zinc/93/47/16/803934716.db2.gz PDDJUOWYFRAOKE-XDQVBPFNSA-N 3 1 250.390 -0.711 20 0 CBADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001322757810 803934723 /nfs/dbraw/zinc/93/47/23/803934723.db2.gz PDDJUOWYFRAOKE-XDQVBPFNSA-N 3 1 250.390 -0.711 20 0 CBADMP C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001322757810 803934728 /nfs/dbraw/zinc/93/47/28/803934728.db2.gz PDDJUOWYFRAOKE-XDQVBPFNSA-N 2 1 250.390 -0.711 20 0 CBADMP C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001322830923 803945393 /nfs/dbraw/zinc/94/53/93/803945393.db2.gz FOTLAKFJLSDEID-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)C[NH2+]C(C)(C)C ZINC001324697324 804188954 /nfs/dbraw/zinc/18/89/54/804188954.db2.gz DHUPIMQHUHTOIK-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C[NH2+]C(C)(C)C ZINC001324697324 804188957 /nfs/dbraw/zinc/18/89/57/804188957.db2.gz DHUPIMQHUHTOIK-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001325153783 804248905 /nfs/dbraw/zinc/24/89/05/804248905.db2.gz NEFWUMVWSVYOFL-CQSZACIVSA-N 2 1 267.373 -0.345 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001325738599 804310592 /nfs/dbraw/zinc/31/05/92/804310592.db2.gz PQDCSSUTIUMUJE-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150241155 815022382 /nfs/dbraw/zinc/02/23/82/815022382.db2.gz MMIJUOJONDZGAY-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CCO)CCCO1 ZINC001150624572 815036803 /nfs/dbraw/zinc/03/68/03/815036803.db2.gz BTXMDXHCAYNCST-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001150624572 815036809 /nfs/dbraw/zinc/03/68/09/815036809.db2.gz BTXMDXHCAYNCST-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150624572 815036814 /nfs/dbraw/zinc/03/68/14/815036814.db2.gz BTXMDXHCAYNCST-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151048718 815051775 /nfs/dbraw/zinc/05/17/75/815051775.db2.gz DOEFKLCQAKPXKQ-NSHDSACASA-N 2 1 265.361 -0.422 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151048718 815051783 /nfs/dbraw/zinc/05/17/83/815051783.db2.gz DOEFKLCQAKPXKQ-NSHDSACASA-N 2 1 265.361 -0.422 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049230 815051941 /nfs/dbraw/zinc/05/19/41/815051941.db2.gz KOJKDBIPBLSGAA-LLVKDONJSA-N 2 1 265.361 -0.422 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049230 815051945 /nfs/dbraw/zinc/05/19/45/815051945.db2.gz KOJKDBIPBLSGAA-LLVKDONJSA-N 2 1 265.361 -0.422 20 0 CBADMP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)nn1C ZINC001151048330 815051963 /nfs/dbraw/zinc/05/19/63/815051963.db2.gz AEGSTPPJELOYTJ-GFCCVEGCSA-N 2 1 279.388 -0.114 20 0 CBADMP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1C ZINC001151048330 815051969 /nfs/dbraw/zinc/05/19/69/815051969.db2.gz AEGSTPPJELOYTJ-GFCCVEGCSA-N 2 1 279.388 -0.114 20 0 CBADMP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048490 815052517 /nfs/dbraw/zinc/05/25/17/815052517.db2.gz BOVKNYZEHGLWDJ-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCCC2)C1 ZINC001151043593 815053048 /nfs/dbraw/zinc/05/30/48/815053048.db2.gz GOXZMIQGDWNEGX-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049231 815053285 /nfs/dbraw/zinc/05/32/85/815053285.db2.gz KOJKDBIPBLSGAA-NSHDSACASA-N 2 1 265.361 -0.422 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049231 815053292 /nfs/dbraw/zinc/05/32/92/815053292.db2.gz KOJKDBIPBLSGAA-NSHDSACASA-N 2 1 265.361 -0.422 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccon2)C1 ZINC001151066561 815056841 /nfs/dbraw/zinc/05/68/41/815056841.db2.gz WJPMNXOGKFJXRM-JTQLQIEISA-N 2 1 295.343 -0.729 20 0 CBADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001151064978 815054013 /nfs/dbraw/zinc/05/40/13/815054013.db2.gz GLDGPJIOPKRQGB-DGCLKSJQSA-N 2 1 296.415 -0.441 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001151064364 815054074 /nfs/dbraw/zinc/05/40/74/815054074.db2.gz ARIUQXRMWWHUJR-LBPRGKRZSA-N 2 1 265.361 -0.459 20 0 CBADMP Cn1cc(CC[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001151056971 815054268 /nfs/dbraw/zinc/05/42/68/815054268.db2.gz OMSLZNPWLSQBLF-ZDUSSCGKSA-N 2 1 279.388 -0.380 20 0 CBADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001151064981 815054693 /nfs/dbraw/zinc/05/46/93/815054693.db2.gz GLDGPJIOPKRQGB-YPMHNXCESA-N 2 1 296.415 -0.441 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001151066781 815056207 /nfs/dbraw/zinc/05/62/07/815056207.db2.gz YRXDHVAPSSQLIF-LLVKDONJSA-N 2 1 291.417 -0.921 20 0 CBADMP CCCC[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001151065837 815056316 /nfs/dbraw/zinc/05/63/16/815056316.db2.gz NLNFATAENZXDNJ-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001151066775 815057119 /nfs/dbraw/zinc/05/71/19/815057119.db2.gz YPRWQHWEYMQNCY-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP COc1cncc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151065618 815057450 /nfs/dbraw/zinc/05/74/50/815057450.db2.gz LRTSWOMCZPQVMN-NSHDSACASA-N 2 1 293.371 -0.357 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001151065927 815057475 /nfs/dbraw/zinc/05/74/75/815057475.db2.gz OFZVZUYNVAFATN-GFCCVEGCSA-N 2 1 298.431 -0.194 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)nn1 ZINC001151098124 815059997 /nfs/dbraw/zinc/05/99/97/815059997.db2.gz VIHBJMXODCZTKK-UHFFFAOYSA-N 2 1 266.349 -0.883 20 0 CBADMP COCCC[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151114882 815062098 /nfs/dbraw/zinc/06/20/98/815062098.db2.gz RRLZFUKRIHRNIF-UHFFFAOYSA-N 2 1 254.334 -0.066 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151114221 815062194 /nfs/dbraw/zinc/06/21/94/815062194.db2.gz GBOCOHBYLGVUNQ-UHFFFAOYSA-N 2 1 265.361 -0.278 20 0 CBADMP O=C(C[NH+]1CCCC1)NCC[NH2+]Cc1cnns1 ZINC001151101614 815062246 /nfs/dbraw/zinc/06/22/46/815062246.db2.gz VIACGTQBRGPTTA-UHFFFAOYSA-N 2 1 269.374 -0.160 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001151121424 815062420 /nfs/dbraw/zinc/06/24/20/815062420.db2.gz GGGTUCOKUTUJLN-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001151115432 815062499 /nfs/dbraw/zinc/06/24/99/815062499.db2.gz XDGBLTRCEPDEBC-LLVKDONJSA-N 2 1 279.344 -0.824 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151121264 815062798 /nfs/dbraw/zinc/06/27/98/815062798.db2.gz FLQJIAIXOLUUKT-VIFPVBQESA-N 2 1 267.333 -0.968 20 0 CBADMP CCCC[C@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001151123037 815064074 /nfs/dbraw/zinc/06/40/74/815064074.db2.gz ZSEBKAJBWRZFSB-LBPRGKRZSA-N 2 1 295.387 -0.059 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001151147424 815064450 /nfs/dbraw/zinc/06/44/50/815064450.db2.gz NFOLWWOGOLKHHQ-UHFFFAOYSA-N 2 1 295.387 -0.236 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCO)C2 ZINC001072541814 805308079 /nfs/dbraw/zinc/30/80/79/805308079.db2.gz DTLBFSPXKGACJW-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001072541814 805308088 /nfs/dbraw/zinc/30/80/88/805308088.db2.gz DTLBFSPXKGACJW-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001072541814 805308095 /nfs/dbraw/zinc/30/80/95/805308095.db2.gz DTLBFSPXKGACJW-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072551147 805309863 /nfs/dbraw/zinc/30/98/63/805309863.db2.gz BEQYJVGPUSJDJA-LBPRGKRZSA-N 2 1 294.399 -0.639 20 0 CBADMP CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072551147 805309873 /nfs/dbraw/zinc/30/98/73/805309873.db2.gz BEQYJVGPUSJDJA-LBPRGKRZSA-N 2 1 294.399 -0.639 20 0 CBADMP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001072551147 805309882 /nfs/dbraw/zinc/30/98/82/805309882.db2.gz BEQYJVGPUSJDJA-LBPRGKRZSA-N 2 1 294.399 -0.639 20 0 CBADMP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001072551147 805309892 /nfs/dbraw/zinc/30/98/92/805309892.db2.gz BEQYJVGPUSJDJA-LBPRGKRZSA-N 2 1 294.399 -0.639 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072854367 805341418 /nfs/dbraw/zinc/34/14/18/805341418.db2.gz LIEAVFFFGPOIIQ-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072854367 805341429 /nfs/dbraw/zinc/34/14/29/805341429.db2.gz LIEAVFFFGPOIIQ-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072854367 805341437 /nfs/dbraw/zinc/34/14/37/805341437.db2.gz LIEAVFFFGPOIIQ-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP CC(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2)[NH+](C)C ZINC001072955583 805350878 /nfs/dbraw/zinc/35/08/78/805350878.db2.gz QGROPRRUQGQWDA-CYBMUJFWSA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2)[NH+](C)C ZINC001072955583 805350886 /nfs/dbraw/zinc/35/08/86/805350886.db2.gz QGROPRRUQGQWDA-CYBMUJFWSA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072981960 805351617 /nfs/dbraw/zinc/35/16/17/805351617.db2.gz WURLXZSZJVERCV-STQMWFEESA-N 2 1 281.400 -0.289 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072981960 805351628 /nfs/dbraw/zinc/35/16/28/805351628.db2.gz WURLXZSZJVERCV-STQMWFEESA-N 2 1 281.400 -0.289 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072981960 805351636 /nfs/dbraw/zinc/35/16/36/805351636.db2.gz WURLXZSZJVERCV-STQMWFEESA-N 2 1 281.400 -0.289 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073426009 805366964 /nfs/dbraw/zinc/36/69/64/805366964.db2.gz NYJMHLNEOYKBGX-NEPJUHHUSA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001073426009 805366973 /nfs/dbraw/zinc/36/69/73/805366973.db2.gz NYJMHLNEOYKBGX-NEPJUHHUSA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426009 805366982 /nfs/dbraw/zinc/36/69/82/805366982.db2.gz NYJMHLNEOYKBGX-NEPJUHHUSA-N 2 1 294.399 -0.654 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001073443102 805369287 /nfs/dbraw/zinc/36/92/87/805369287.db2.gz AXDNLWCEHRZMNN-ZDUSSCGKSA-N 2 1 297.399 -0.766 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001073443102 805369297 /nfs/dbraw/zinc/36/92/97/805369297.db2.gz AXDNLWCEHRZMNN-ZDUSSCGKSA-N 2 1 297.399 -0.766 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@H+](CCO)C3)C1 ZINC001073443102 805369306 /nfs/dbraw/zinc/36/93/06/805369306.db2.gz AXDNLWCEHRZMNN-ZDUSSCGKSA-N 2 1 297.399 -0.766 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1 ZINC001073443102 805369315 /nfs/dbraw/zinc/36/93/15/805369315.db2.gz AXDNLWCEHRZMNN-ZDUSSCGKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[C@H](O)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073430251 805369469 /nfs/dbraw/zinc/36/94/69/805369469.db2.gz AWWLSPNLRHXLBB-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCO)CCCO1 ZINC001073554844 805385823 /nfs/dbraw/zinc/38/58/23/805385823.db2.gz OXVJNXBBFJYNQB-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001073554844 805385835 /nfs/dbraw/zinc/38/58/35/805385835.db2.gz OXVJNXBBFJYNQB-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001073554844 805385840 /nfs/dbraw/zinc/38/58/40/805385840.db2.gz OXVJNXBBFJYNQB-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CC(C)[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073563601 805387711 /nfs/dbraw/zinc/38/77/11/805387711.db2.gz GASCTGSTBCYOHC-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073563601 805387722 /nfs/dbraw/zinc/38/77/22/805387722.db2.gz GASCTGSTBCYOHC-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073563601 805387730 /nfs/dbraw/zinc/38/77/30/805387730.db2.gz GASCTGSTBCYOHC-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073563601 805387741 /nfs/dbraw/zinc/38/77/41/805387741.db2.gz GASCTGSTBCYOHC-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCCO1 ZINC001073554841 805388375 /nfs/dbraw/zinc/38/83/75/805388375.db2.gz OXVJNXBBFJYNQB-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001073554841 805388382 /nfs/dbraw/zinc/38/83/82/805388382.db2.gz OXVJNXBBFJYNQB-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001073554841 805388391 /nfs/dbraw/zinc/38/83/91/805388391.db2.gz OXVJNXBBFJYNQB-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073564447 805388757 /nfs/dbraw/zinc/38/87/57/805388757.db2.gz YSHBUWQNVIPPMH-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073564447 805388765 /nfs/dbraw/zinc/38/87/65/805388765.db2.gz YSHBUWQNVIPPMH-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073564447 805388774 /nfs/dbraw/zinc/38/87/74/805388774.db2.gz YSHBUWQNVIPPMH-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073564447 805388783 /nfs/dbraw/zinc/38/87/83/805388783.db2.gz YSHBUWQNVIPPMH-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073890995 805422337 /nfs/dbraw/zinc/42/23/37/805422337.db2.gz KONUZPITDFCUSK-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073890995 805422343 /nfs/dbraw/zinc/42/23/43/805422343.db2.gz KONUZPITDFCUSK-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073890995 805422349 /nfs/dbraw/zinc/42/23/49/805422349.db2.gz KONUZPITDFCUSK-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)C1 ZINC001073892025 805424662 /nfs/dbraw/zinc/42/46/62/805424662.db2.gz WTGSQZHUWWLQGE-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@H+](CCO)CCCO2)C1 ZINC001073892025 805424668 /nfs/dbraw/zinc/42/46/68/805424668.db2.gz WTGSQZHUWWLQGE-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073892025 805424675 /nfs/dbraw/zinc/42/46/75/805424675.db2.gz WTGSQZHUWWLQGE-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C)C(N)=O ZINC001074792961 805471859 /nfs/dbraw/zinc/47/18/59/805471859.db2.gz OFRUFWHNZMPQON-NOOOWODRSA-N 2 1 282.388 -0.467 20 0 CBADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C)C(N)=O ZINC001074803948 805473193 /nfs/dbraw/zinc/47/31/93/805473193.db2.gz WXPHQLXXRWWOFS-QNWHQSFQSA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CCO)[C@@H]2C)C1 ZINC001074878431 805475600 /nfs/dbraw/zinc/47/56/00/805475600.db2.gz VBZQPEUCCAKQIO-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@H]2CCCO2)C1 ZINC001151740662 815089061 /nfs/dbraw/zinc/08/90/61/815089061.db2.gz WPWJTMTVFQDAMB-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@H]2CCCO2)C1 ZINC001151740662 815089068 /nfs/dbraw/zinc/08/90/68/815089068.db2.gz WPWJTMTVFQDAMB-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOCC2CC2)C1 ZINC001151740672 815089242 /nfs/dbraw/zinc/08/92/42/815089242.db2.gz WSDPEAIVVAIGBB-CQSZACIVSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOCC2CC2)C1 ZINC001151740672 815089249 /nfs/dbraw/zinc/08/92/49/815089249.db2.gz WSDPEAIVVAIGBB-CQSZACIVSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cnoc2C)C1 ZINC001151738999 815089450 /nfs/dbraw/zinc/08/94/50/815089450.db2.gz JVUKHROQXSQCIA-ZDUSSCGKSA-N 2 1 296.371 -0.090 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cnoc2C)C1 ZINC001151738999 815089458 /nfs/dbraw/zinc/08/94/58/815089458.db2.gz JVUKHROQXSQCIA-ZDUSSCGKSA-N 2 1 296.371 -0.090 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001151740663 815089744 /nfs/dbraw/zinc/08/97/44/815089744.db2.gz WPWJTMTVFQDAMB-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001151740663 815089751 /nfs/dbraw/zinc/08/97/51/815089751.db2.gz WPWJTMTVFQDAMB-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOC2CCC2)C1 ZINC001151740129 815091055 /nfs/dbraw/zinc/09/10/55/815091055.db2.gz PIBCFFXLCMVUQU-CQSZACIVSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOC2CCC2)C1 ZINC001151740129 815091061 /nfs/dbraw/zinc/09/10/61/815091061.db2.gz PIBCFFXLCMVUQU-CQSZACIVSA-N 2 1 299.415 -0.018 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001152137865 815106645 /nfs/dbraw/zinc/10/66/45/815106645.db2.gz QBUCSTFUMSONIF-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001152137865 815106647 /nfs/dbraw/zinc/10/66/47/815106647.db2.gz QBUCSTFUMSONIF-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]Cc1nncn1C ZINC001152138838 815106670 /nfs/dbraw/zinc/10/66/70/815106670.db2.gz ZVVAGXNSCLQQQB-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]Cc1nncn1C ZINC001152138838 815106674 /nfs/dbraw/zinc/10/66/74/815106674.db2.gz ZVVAGXNSCLQQQB-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001152137539 815106705 /nfs/dbraw/zinc/10/67/05/815106705.db2.gz MHDHFTHEFFPMBB-GHMZBOCLSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001152138146 815107090 /nfs/dbraw/zinc/10/70/90/815107090.db2.gz SPDRGWPKNDYOSF-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]CC(N)=O ZINC001152149647 815107669 /nfs/dbraw/zinc/10/76/69/815107669.db2.gz ZZWPMKMVFSUSEK-AOOOYVTPSA-N 2 1 256.350 -0.950 20 0 CBADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001152451676 815122454 /nfs/dbraw/zinc/12/24/54/815122454.db2.gz CXEHKNCFJSAMPE-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001152451676 815122458 /nfs/dbraw/zinc/12/24/58/815122458.db2.gz CXEHKNCFJSAMPE-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001152451770 815122551 /nfs/dbraw/zinc/12/25/51/815122551.db2.gz GUCZUIVNIRDMJO-CYBMUJFWSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001152451770 815122556 /nfs/dbraw/zinc/12/25/56/815122556.db2.gz GUCZUIVNIRDMJO-CYBMUJFWSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC ZINC001152446253 815122777 /nfs/dbraw/zinc/12/27/77/815122777.db2.gz VQNDXXABUVBEMH-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001152451916 815123150 /nfs/dbraw/zinc/12/31/50/815123150.db2.gz MACPZQNZRGHKPJ-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001152445650 815123307 /nfs/dbraw/zinc/12/33/07/815123307.db2.gz LUQWPHVMHFQFKL-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001152445650 815123308 /nfs/dbraw/zinc/12/33/08/815123308.db2.gz LUQWPHVMHFQFKL-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001152458758 815123889 /nfs/dbraw/zinc/12/38/89/815123889.db2.gz SNXKCTGYWKPUFM-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC)C(N)=O ZINC001152458354 815124285 /nfs/dbraw/zinc/12/42/85/815124285.db2.gz NYTKJMXGZBHREO-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCO)c1ccccc1 ZINC001152528369 815129006 /nfs/dbraw/zinc/12/90/06/815129006.db2.gz FPRIVCMGWCPGAA-CYBMUJFWSA-N 2 1 265.357 -0.013 20 0 CBADMP CC[N@H+](CCOC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152557147 815129392 /nfs/dbraw/zinc/12/93/92/815129392.db2.gz RVTDLLYSWJNKRI-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@@H+](CCOC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152557147 815129394 /nfs/dbraw/zinc/12/93/94/815129394.db2.gz RVTDLLYSWJNKRI-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCOC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152557147 815129398 /nfs/dbraw/zinc/12/93/98/815129398.db2.gz RVTDLLYSWJNKRI-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+](CCOC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152557147 815129400 /nfs/dbraw/zinc/12/94/00/815129400.db2.gz RVTDLLYSWJNKRI-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C(N)=O ZINC001152528826 815129506 /nfs/dbraw/zinc/12/95/06/815129506.db2.gz LVMLZBDGGAZXTI-AAEUAGOBSA-N 2 1 292.383 -0.131 20 0 CBADMP C[N@H+](CC(=O)NCC[NH2+]CCO)Cc1ccccc1 ZINC001153319229 815158074 /nfs/dbraw/zinc/15/80/74/815158074.db2.gz DMTSKZUEQXPFHN-UHFFFAOYSA-N 2 1 265.357 -0.184 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+]CCO)Cc1ccccc1 ZINC001153319229 815158077 /nfs/dbraw/zinc/15/80/77/815158077.db2.gz DMTSKZUEQXPFHN-UHFFFAOYSA-N 2 1 265.357 -0.184 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828122 815180361 /nfs/dbraw/zinc/18/03/61/815180361.db2.gz GXZFLGUAKPVZRJ-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828122 815180363 /nfs/dbraw/zinc/18/03/63/815180363.db2.gz GXZFLGUAKPVZRJ-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)C1(C(=O)NCC[N@@H+](C)CCO)CCCC1 ZINC001155250745 815273672 /nfs/dbraw/zinc/27/36/72/815273672.db2.gz CAOVGTLQHLOGNE-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255741 815273789 /nfs/dbraw/zinc/27/37/89/815273789.db2.gz ZISZVKLGDJFEHR-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255741 815273792 /nfs/dbraw/zinc/27/37/92/815273792.db2.gz ZISZVKLGDJFEHR-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155255741 815273795 /nfs/dbraw/zinc/27/37/95/815273795.db2.gz ZISZVKLGDJFEHR-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155255741 815273797 /nfs/dbraw/zinc/27/37/97/815273797.db2.gz ZISZVKLGDJFEHR-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP COC(=O)[C@@H](Nc1ncnc2c1C[NH2+]C2)C(C)(C)[NH3+] ZINC001155369449 815279555 /nfs/dbraw/zinc/27/95/55/815279555.db2.gz WCCQZGOKRNGQSV-SECBINFHSA-N 2 1 265.317 -0.229 20 0 CBADMP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155790654 815310739 /nfs/dbraw/zinc/31/07/39/815310739.db2.gz LLPALFHWSAMVJE-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001155790306 815310864 /nfs/dbraw/zinc/31/08/64/815310864.db2.gz JRDKIVNLDDRKPN-NSHDSACASA-N 2 1 291.417 -0.779 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001155790693 815311086 /nfs/dbraw/zinc/31/10/86/815311086.db2.gz MDQBPPMNWXDRNA-ZJUUUORDSA-N 2 1 256.350 -0.950 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001155789926 815311317 /nfs/dbraw/zinc/31/13/17/815311317.db2.gz HZABVJIJQOQEEJ-LBPRGKRZSA-N 2 1 282.388 -0.545 20 0 CBADMP CN1CCC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001155791631 815312508 /nfs/dbraw/zinc/31/25/08/815312508.db2.gz YFRYIODFEVTMEO-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001155814098 815314190 /nfs/dbraw/zinc/31/41/90/815314190.db2.gz VGAVKFFHUSWQJJ-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001155811227 815314277 /nfs/dbraw/zinc/31/42/77/815314277.db2.gz HDIKGRNJXVSXOQ-GFCCVEGCSA-N 2 1 280.376 -0.532 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001155811236 815314341 /nfs/dbraw/zinc/31/43/41/815314341.db2.gz HDIKGRNJXVSXOQ-LBPRGKRZSA-N 2 1 280.376 -0.532 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H]2CCCCO2)C1 ZINC001156125944 815338797 /nfs/dbraw/zinc/33/87/97/815338797.db2.gz QVOJGZRGMBPZNG-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H]2CCCCO2)C1 ZINC001156125944 815338804 /nfs/dbraw/zinc/33/88/04/815338804.db2.gz QVOJGZRGMBPZNG-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H]2CCCCO2)C1 ZINC001156125945 815339221 /nfs/dbraw/zinc/33/92/21/815339221.db2.gz QVOJGZRGMBPZNG-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H]2CCCCO2)C1 ZINC001156125945 815339228 /nfs/dbraw/zinc/33/92/28/815339228.db2.gz QVOJGZRGMBPZNG-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCn2cccn2)C1 ZINC001156126379 815339541 /nfs/dbraw/zinc/33/95/41/815339541.db2.gz XUZQXFSRTYWCMT-CYBMUJFWSA-N 2 1 295.387 -0.690 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCn2cccn2)C1 ZINC001156126379 815339547 /nfs/dbraw/zinc/33/95/47/815339547.db2.gz XUZQXFSRTYWCMT-CYBMUJFWSA-N 2 1 295.387 -0.690 20 0 CBADMP CC[C@@H](C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1)OC ZINC001156152210 815339684 /nfs/dbraw/zinc/33/96/84/815339684.db2.gz HUPONAGQUIJCLF-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@@H](C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)OC ZINC001156152210 815339690 /nfs/dbraw/zinc/33/96/90/815339690.db2.gz HUPONAGQUIJCLF-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001156144933 815339853 /nfs/dbraw/zinc/33/98/53/815339853.db2.gz HJSGVGBIRNOUGM-ZDUSSCGKSA-N 2 1 295.387 -0.653 20 0 CBADMP Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001156144933 815339860 /nfs/dbraw/zinc/33/98/60/815339860.db2.gz HJSGVGBIRNOUGM-ZDUSSCGKSA-N 2 1 295.387 -0.653 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H]2CCCOC2)C1 ZINC001156144208 815340251 /nfs/dbraw/zinc/34/02/51/815340251.db2.gz BLXXYHOCIXBYTC-ZIAGYGMSSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H]2CCCOC2)C1 ZINC001156144208 815340258 /nfs/dbraw/zinc/34/02/58/815340258.db2.gz BLXXYHOCIXBYTC-ZIAGYGMSSA-N 2 1 299.415 -0.161 20 0 CBADMP Cc1ncc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC001156152329 815340535 /nfs/dbraw/zinc/34/05/35/815340535.db2.gz MUTXYRFHMGSNCF-CYBMUJFWSA-N 2 1 296.371 -0.090 20 0 CBADMP Cc1ncc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001156152329 815340542 /nfs/dbraw/zinc/34/05/42/815340542.db2.gz MUTXYRFHMGSNCF-CYBMUJFWSA-N 2 1 296.371 -0.090 20 0 CBADMP C[C@@H](O)CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156146294 815341257 /nfs/dbraw/zinc/34/12/57/815341257.db2.gz VJXDRJSBFBFWIC-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@@H](O)CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156146294 815341263 /nfs/dbraw/zinc/34/12/63/815341263.db2.gz VJXDRJSBFBFWIC-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP C[NH+]1CCN(c2nccc(N3CC[C@H]([NH3+])C3)n2)CC1 ZINC001156233324 815348201 /nfs/dbraw/zinc/34/82/01/815348201.db2.gz QDRKRCHOWYZYAH-NSHDSACASA-N 2 1 262.361 -0.234 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086198368 810248123 /nfs/dbraw/zinc/24/81/23/810248123.db2.gz QYMJANLNGVYRSQ-WYUUTHIRSA-N 2 1 282.388 -0.846 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086198369 810248463 /nfs/dbraw/zinc/24/84/63/810248463.db2.gz QYMJANLNGVYRSQ-YFKTTZPYSA-N 2 1 282.388 -0.846 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086272211 810253593 /nfs/dbraw/zinc/25/35/93/810253593.db2.gz YCDKMSRSIHUXDH-FVCCEPFGSA-N 2 1 294.399 -0.689 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001086270788 810254014 /nfs/dbraw/zinc/25/40/14/810254014.db2.gz UDKAAJGLMQKUMG-UTUOFQBUSA-N 2 1 255.362 -0.585 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086324788 810260746 /nfs/dbraw/zinc/26/07/46/810260746.db2.gz NLDVMKVOWUBUIO-IJLUTSLNSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086328034 810261265 /nfs/dbraw/zinc/26/12/65/810261265.db2.gz YIWBXRAGOLWRLZ-DCAQKATOSA-N 2 1 268.361 -0.950 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001086402222 810266816 /nfs/dbraw/zinc/26/68/16/810266816.db2.gz MUIDTEIIVKIPCB-LPWJVIDDSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086402316 810267046 /nfs/dbraw/zinc/26/70/46/810267046.db2.gz PQTGOENBHYRSRP-IJLUTSLNSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374198 815356634 /nfs/dbraw/zinc/35/66/34/815356634.db2.gz MUFBFPIPMFKRSP-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374198 815356641 /nfs/dbraw/zinc/35/66/41/815356641.db2.gz MUFBFPIPMFKRSP-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374198 815356648 /nfs/dbraw/zinc/35/66/48/815356648.db2.gz MUFBFPIPMFKRSP-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374198 815356656 /nfs/dbraw/zinc/35/66/56/815356656.db2.gz MUFBFPIPMFKRSP-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001086552237 810278579 /nfs/dbraw/zinc/27/85/79/810278579.db2.gz ZLMNRZXPYOJWNS-BJDJZHNGSA-N 2 1 282.388 -0.704 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086550856 810279483 /nfs/dbraw/zinc/27/94/83/810279483.db2.gz YCDKMSRSIHUXDH-LPWJVIDDSA-N 2 1 294.399 -0.689 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCOC ZINC001087529340 810295701 /nfs/dbraw/zinc/29/57/01/810295701.db2.gz CGOVZUTZXNCNRJ-MJBXVCDLSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCOC ZINC001087529340 810295703 /nfs/dbraw/zinc/29/57/03/810295703.db2.gz CGOVZUTZXNCNRJ-MJBXVCDLSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCOC ZINC001087529340 810295709 /nfs/dbraw/zinc/29/57/09/810295709.db2.gz CGOVZUTZXNCNRJ-MJBXVCDLSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOC ZINC001087529340 810295714 /nfs/dbraw/zinc/29/57/14/810295714.db2.gz CGOVZUTZXNCNRJ-MJBXVCDLSA-N 2 1 299.415 -0.068 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001087908503 810314047 /nfs/dbraw/zinc/31/40/47/810314047.db2.gz DZVOXPFKEFEIGA-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001087908503 810314051 /nfs/dbraw/zinc/31/40/51/810314051.db2.gz DZVOXPFKEFEIGA-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001087908503 810314058 /nfs/dbraw/zinc/31/40/58/810314058.db2.gz DZVOXPFKEFEIGA-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CCO)C2)C1 ZINC001088287950 810325495 /nfs/dbraw/zinc/32/54/95/810325495.db2.gz IQCCNQFNCGSWHJ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CCO)C2)C1 ZINC001088287950 810325500 /nfs/dbraw/zinc/32/55/00/810325500.db2.gz IQCCNQFNCGSWHJ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC(=O)NC ZINC001156525205 815364207 /nfs/dbraw/zinc/36/42/07/815364207.db2.gz ISSIXXQUQBGUOF-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC(=O)NC ZINC001156525205 815364214 /nfs/dbraw/zinc/36/42/14/815364214.db2.gz ISSIXXQUQBGUOF-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC(=O)NC ZINC001156525205 815364220 /nfs/dbraw/zinc/36/42/20/815364220.db2.gz ISSIXXQUQBGUOF-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)NC ZINC001156525205 815364226 /nfs/dbraw/zinc/36/42/26/815364226.db2.gz ISSIXXQUQBGUOF-GFCCVEGCSA-N 2 1 286.420 -0.099 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CCO ZINC001088981187 810370261 /nfs/dbraw/zinc/37/02/61/810370261.db2.gz GZGYBTDJHNNJNN-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CCO ZINC001088981187 810370267 /nfs/dbraw/zinc/37/02/67/810370267.db2.gz GZGYBTDJHNNJNN-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCO ZINC001088981187 810370274 /nfs/dbraw/zinc/37/02/74/810370274.db2.gz GZGYBTDJHNNJNN-UPJWGTAASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCO ZINC001088981186 810370881 /nfs/dbraw/zinc/37/08/81/810370881.db2.gz GZGYBTDJHNNJNN-AGIUHOORSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCO ZINC001088981186 810370889 /nfs/dbraw/zinc/37/08/89/810370889.db2.gz GZGYBTDJHNNJNN-AGIUHOORSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCO ZINC001088981186 810370897 /nfs/dbraw/zinc/37/08/97/810370897.db2.gz GZGYBTDJHNNJNN-AGIUHOORSA-N 2 1 269.389 -0.101 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001088981029 810371234 /nfs/dbraw/zinc/37/12/34/810371234.db2.gz ZNMRVSRRZQNSQE-AGIUHOORSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001088981029 810371238 /nfs/dbraw/zinc/37/12/38/810371238.db2.gz ZNMRVSRRZQNSQE-AGIUHOORSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001088981029 810371245 /nfs/dbraw/zinc/37/12/45/810371245.db2.gz ZNMRVSRRZQNSQE-AGIUHOORSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001088981029 810371252 /nfs/dbraw/zinc/37/12/52/810371252.db2.gz ZNMRVSRRZQNSQE-AGIUHOORSA-N 2 1 296.415 -0.347 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1ncnc2c1CC[NH2+]CC2 ZINC001156621094 815370083 /nfs/dbraw/zinc/37/00/83/815370083.db2.gz SIDUUOPFSIGVJG-UHFFFAOYSA-N 2 1 271.328 -0.711 20 0 CBADMP CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090433057 810498546 /nfs/dbraw/zinc/49/85/46/810498546.db2.gz OCMWPOTZUZFBQK-NWDGAFQWSA-N 2 1 266.345 -0.237 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090433057 810498551 /nfs/dbraw/zinc/49/85/51/810498551.db2.gz OCMWPOTZUZFBQK-NWDGAFQWSA-N 2 1 266.345 -0.237 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)CC1 ZINC001090539505 810519915 /nfs/dbraw/zinc/51/99/15/810519915.db2.gz YKLARNPZTKUAKN-UONOGXRCSA-N 2 1 299.415 -0.738 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCO)C[C@@H]2O)C1 ZINC001090572669 810528614 /nfs/dbraw/zinc/52/86/14/810528614.db2.gz HVHOQFBZOBJXIK-STQMWFEESA-N 2 1 299.415 -0.738 20 0 CBADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)C1 ZINC001090572669 810528624 /nfs/dbraw/zinc/52/86/24/810528624.db2.gz HVHOQFBZOBJXIK-STQMWFEESA-N 2 1 299.415 -0.738 20 0 CBADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)C1 ZINC001090572669 810528631 /nfs/dbraw/zinc/52/86/31/810528631.db2.gz HVHOQFBZOBJXIK-STQMWFEESA-N 2 1 299.415 -0.738 20 0 CBADMP CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090807741 810567199 /nfs/dbraw/zinc/56/71/99/810567199.db2.gz BWYICTRUACYKDY-NEPJUHHUSA-N 2 1 266.345 -0.237 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090807741 810567203 /nfs/dbraw/zinc/56/72/03/810567203.db2.gz BWYICTRUACYKDY-NEPJUHHUSA-N 2 1 266.345 -0.237 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091027188 810586536 /nfs/dbraw/zinc/58/65/36/810586536.db2.gz ZPZSEYZDXXCHPW-WXRRBKDZSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001091365226 810604227 /nfs/dbraw/zinc/60/42/27/810604227.db2.gz UDKAAJGLMQKUMG-MOENNCHZSA-N 2 1 255.362 -0.585 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092505046 810631088 /nfs/dbraw/zinc/63/10/88/810631088.db2.gz FTAKNHYUJDOUEC-UTUOFQBUSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092505046 810631094 /nfs/dbraw/zinc/63/10/94/810631094.db2.gz FTAKNHYUJDOUEC-UTUOFQBUSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092505046 810631099 /nfs/dbraw/zinc/63/10/99/810631099.db2.gz FTAKNHYUJDOUEC-UTUOFQBUSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092510578 810631901 /nfs/dbraw/zinc/63/19/01/810631901.db2.gz TTXUDYPNWJFDEJ-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092510578 810631903 /nfs/dbraw/zinc/63/19/03/810631903.db2.gz TTXUDYPNWJFDEJ-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092510578 810631905 /nfs/dbraw/zinc/63/19/05/810631905.db2.gz TTXUDYPNWJFDEJ-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001096880533 810788974 /nfs/dbraw/zinc/78/89/74/810788974.db2.gz MJPZJBHMWMMHCF-NDBYEHHHSA-N 2 1 267.373 -0.206 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCO ZINC001096880533 810788978 /nfs/dbraw/zinc/78/89/78/810788978.db2.gz MJPZJBHMWMMHCF-NDBYEHHHSA-N 2 1 267.373 -0.206 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCO ZINC001096880533 810788984 /nfs/dbraw/zinc/78/89/84/810788984.db2.gz MJPZJBHMWMMHCF-NDBYEHHHSA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001096880533 810788986 /nfs/dbraw/zinc/78/89/86/810788986.db2.gz MJPZJBHMWMMHCF-NDBYEHHHSA-N 2 1 267.373 -0.206 20 0 CBADMP CN1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1 ZINC001096914533 810789587 /nfs/dbraw/zinc/78/95/87/810789587.db2.gz XNLHWTKHQLBUOZ-NDBYEHHHSA-N 2 1 283.372 -0.969 20 0 CBADMP CN1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCO)C1 ZINC001096914533 810789593 /nfs/dbraw/zinc/78/95/93/810789593.db2.gz XNLHWTKHQLBUOZ-NDBYEHHHSA-N 2 1 283.372 -0.969 20 0 CBADMP COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C)CCO1)C2 ZINC001096914565 810789893 /nfs/dbraw/zinc/78/98/93/810789893.db2.gz YVFJWWYYKXVHIF-YIYPIFLZSA-N 2 1 297.399 -0.315 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCO)C3)C1 ZINC001099161170 810866771 /nfs/dbraw/zinc/86/67/71/810866771.db2.gz ZBQSQQQHGJNOKI-YDHLFZDLSA-N 2 1 281.400 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCO)C3)C1 ZINC001099161170 810866778 /nfs/dbraw/zinc/86/67/78/810866778.db2.gz ZBQSQQQHGJNOKI-YDHLFZDLSA-N 2 1 281.400 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCO)C3)C1 ZINC001099161170 810866783 /nfs/dbraw/zinc/86/67/83/810866783.db2.gz ZBQSQQQHGJNOKI-YDHLFZDLSA-N 2 1 281.400 -0.099 20 0 CBADMP [NH2+]=C(NCCCC[NH3+])Nc1ncnc2c1CCNC2 ZINC001157094179 815404296 /nfs/dbraw/zinc/40/42/96/815404296.db2.gz MDLPKYJIVNZBJE-UHFFFAOYSA-N 2 1 263.349 -0.203 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)CCC1 ZINC001099874185 810959010 /nfs/dbraw/zinc/95/90/10/810959010.db2.gz HIJMWXJTNWCECQ-OLZOCXBDSA-N 2 1 299.415 -0.596 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CCO)C[C@H]1O ZINC001099898426 810962086 /nfs/dbraw/zinc/96/20/86/810962086.db2.gz BGNJIANNVCMGFU-NWDGAFQWSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099898426 810962092 /nfs/dbraw/zinc/96/20/92/810962092.db2.gz BGNJIANNVCMGFU-NWDGAFQWSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099898426 810962099 /nfs/dbraw/zinc/96/20/99/810962099.db2.gz BGNJIANNVCMGFU-NWDGAFQWSA-N 2 1 287.404 -0.740 20 0 CBADMP COCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986907 810985613 /nfs/dbraw/zinc/98/56/13/810985613.db2.gz REDPXZNCAPGSHP-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001099986965 810985686 /nfs/dbraw/zinc/98/56/86/810985686.db2.gz RTDYQOSLTTWFOM-OLZOCXBDSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099987366 810986330 /nfs/dbraw/zinc/98/63/30/810986330.db2.gz ZCFSYQVIDUPIHE-QWRGUYRKSA-N 2 1 261.341 -0.541 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099987366 810986333 /nfs/dbraw/zinc/98/63/33/810986333.db2.gz ZCFSYQVIDUPIHE-QWRGUYRKSA-N 2 1 261.341 -0.541 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCCO)C[C@H]1O ZINC001100067452 811010246 /nfs/dbraw/zinc/01/02/46/811010246.db2.gz RRZZLQOURMOEBX-CHWSQXEVSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100067452 811010252 /nfs/dbraw/zinc/01/02/52/811010252.db2.gz RRZZLQOURMOEBX-CHWSQXEVSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100067452 811010253 /nfs/dbraw/zinc/01/02/53/811010253.db2.gz RRZZLQOURMOEBX-CHWSQXEVSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCF)C[C@@H]1O ZINC001100065181 811010612 /nfs/dbraw/zinc/01/06/12/811010612.db2.gz YUXLOQSJFAFOQD-NEPJUHHUSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCF)C[C@@H]1O ZINC001100065181 811010620 /nfs/dbraw/zinc/01/06/20/811010620.db2.gz YUXLOQSJFAFOQD-NEPJUHHUSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001100065181 811010627 /nfs/dbraw/zinc/01/06/27/811010627.db2.gz YUXLOQSJFAFOQD-NEPJUHHUSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001100065181 811010632 /nfs/dbraw/zinc/01/06/32/811010632.db2.gz YUXLOQSJFAFOQD-NEPJUHHUSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCF)C[C@H]1O ZINC001100065182 811010792 /nfs/dbraw/zinc/01/07/92/811010792.db2.gz YUXLOQSJFAFOQD-NWDGAFQWSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCF)C[C@H]1O ZINC001100065182 811010798 /nfs/dbraw/zinc/01/07/98/811010798.db2.gz YUXLOQSJFAFOQD-NWDGAFQWSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001100065182 811010804 /nfs/dbraw/zinc/01/08/04/811010804.db2.gz YUXLOQSJFAFOQD-NWDGAFQWSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001100065182 811010812 /nfs/dbraw/zinc/01/08/12/811010812.db2.gz YUXLOQSJFAFOQD-NWDGAFQWSA-N 2 1 275.368 -0.151 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCO)C[C@H]1O ZINC001100083262 811018325 /nfs/dbraw/zinc/01/83/25/811018325.db2.gz PETPVYGRKPPADL-QWHCGFSZSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100083262 811018330 /nfs/dbraw/zinc/01/83/30/811018330.db2.gz PETPVYGRKPPADL-QWHCGFSZSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100083262 811018336 /nfs/dbraw/zinc/01/83/36/811018336.db2.gz PETPVYGRKPPADL-QWHCGFSZSA-N 2 1 287.404 -0.738 20 0 CBADMP COCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109920 811023231 /nfs/dbraw/zinc/02/32/31/811023231.db2.gz MSEGGPRHCKCMJK-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001100185760 811034053 /nfs/dbraw/zinc/03/40/53/811034053.db2.gz NDYSOOIYFFKIEN-BPCQOVAHSA-N 2 1 296.415 -0.347 20 0 CBADMP COCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001100211856 811038619 /nfs/dbraw/zinc/03/86/19/811038619.db2.gz DFYHYAYJSRKVSR-BPCQOVAHSA-N 2 1 285.388 -0.552 20 0 CBADMP COCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001100211856 811038627 /nfs/dbraw/zinc/03/86/27/811038627.db2.gz DFYHYAYJSRKVSR-BPCQOVAHSA-N 2 1 285.388 -0.552 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCCO)C2)O1 ZINC001100438020 811057672 /nfs/dbraw/zinc/05/76/72/811057672.db2.gz LHABGBAYFCZAMT-BLYZHGLHSA-N 2 1 299.415 -0.428 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCCO)C2)O1 ZINC001100438020 811057679 /nfs/dbraw/zinc/05/76/79/811057679.db2.gz LHABGBAYFCZAMT-BLYZHGLHSA-N 2 1 299.415 -0.428 20 0 CBADMP COCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001100438303 811058323 /nfs/dbraw/zinc/05/83/23/811058323.db2.gz ZUECXHDSGWZABX-BLYZHGLHSA-N 2 1 299.415 -0.164 20 0 CBADMP COCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001100438303 811058332 /nfs/dbraw/zinc/05/83/32/811058332.db2.gz ZUECXHDSGWZABX-BLYZHGLHSA-N 2 1 299.415 -0.164 20 0 CBADMP CNC(=O)C[NH2+]C1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001100509553 811061655 /nfs/dbraw/zinc/06/16/55/811061655.db2.gz MLLQOQNPJDPJSM-UHFFFAOYSA-N 2 1 293.371 -0.578 20 0 CBADMP CNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001100673875 811071636 /nfs/dbraw/zinc/07/16/36/811071636.db2.gz CXGAOHXXGIBBCV-HIFPTAJRSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001100673876 811072022 /nfs/dbraw/zinc/07/20/22/811072022.db2.gz CXGAOHXXGIBBCV-PNESKVBLSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001100827752 811081506 /nfs/dbraw/zinc/08/15/06/811081506.db2.gz SEYVCENKQSBQSU-UHFFFAOYSA-N 2 1 284.404 -0.441 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CC(=O)NCC)C1 ZINC001100901701 811084237 /nfs/dbraw/zinc/08/42/37/811084237.db2.gz JTKNFTDBZZWWBJ-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101036346 811091100 /nfs/dbraw/zinc/09/11/00/811091100.db2.gz NSRGFVBVPWERON-UHFFFAOYSA-N 2 1 284.404 -0.443 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101035941 811091199 /nfs/dbraw/zinc/09/11/99/811091199.db2.gz FRUKKKRCINVGMT-HIFPTAJRSA-N 2 1 298.431 -0.055 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001101037597 811091446 /nfs/dbraw/zinc/09/14/46/811091446.db2.gz UIQZMBJEXMIXFE-UHFFFAOYSA-N 2 1 257.378 -0.197 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001157323898 815423286 /nfs/dbraw/zinc/42/32/86/815423286.db2.gz ZUHDVBATDRBCKG-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCC[N@H+]1C ZINC001157323898 815423290 /nfs/dbraw/zinc/42/32/90/815423290.db2.gz ZUHDVBATDRBCKG-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001157323899 815423301 /nfs/dbraw/zinc/42/33/01/815423301.db2.gz ZUHDVBATDRBCKG-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001157323899 815423305 /nfs/dbraw/zinc/42/33/05/815423305.db2.gz ZUHDVBATDRBCKG-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001102070542 811146568 /nfs/dbraw/zinc/14/65/68/811146568.db2.gz MBRMAKBRZIEYSY-BZPMIXESSA-N 2 1 298.431 -0.258 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319103 811152753 /nfs/dbraw/zinc/15/27/53/811152753.db2.gz ZJARFKGTCRVALP-GHMZBOCLSA-N 2 1 270.377 -0.893 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320780 811152900 /nfs/dbraw/zinc/15/29/00/811152900.db2.gz SRPJTDHMJINISH-JHJVBQTASA-N 2 1 298.431 -0.243 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104000061 811193107 /nfs/dbraw/zinc/19/31/07/811193107.db2.gz UWELACVRCBGTHV-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CCO ZINC001104033698 811193692 /nfs/dbraw/zinc/19/36/92/811193692.db2.gz CZUBEEPNMWVEAM-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CCO ZINC001104033698 811193697 /nfs/dbraw/zinc/19/36/97/811193697.db2.gz CZUBEEPNMWVEAM-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@]2(N)CCC[NH2+]C2)n[nH]1 ZINC001157439320 815434099 /nfs/dbraw/zinc/43/40/99/815434099.db2.gz DRYHOGCTCYOJGX-LLVKDONJSA-N 2 1 265.321 -0.975 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106665122 811313322 /nfs/dbraw/zinc/31/33/22/811313322.db2.gz INTLRDKSHTVQGK-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)C1 ZINC001106666807 811313766 /nfs/dbraw/zinc/31/37/66/811313766.db2.gz WIVQEBBODQURKJ-YNEHKIRRSA-N 2 1 296.415 -0.502 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)CC1 ZINC001108163635 811417273 /nfs/dbraw/zinc/41/72/73/811417273.db2.gz NVKMPHMOIPRPHB-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)CC1 ZINC001108163635 811417283 /nfs/dbraw/zinc/41/72/83/811417283.db2.gz NVKMPHMOIPRPHB-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182683 811420835 /nfs/dbraw/zinc/42/08/35/811420835.db2.gz NNYOVFHDJCYLTK-AWEZNQCLSA-N 2 1 287.404 -0.208 20 0 CBADMP COCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182683 811420841 /nfs/dbraw/zinc/42/08/41/811420841.db2.gz NNYOVFHDJCYLTK-AWEZNQCLSA-N 2 1 287.404 -0.208 20 0 CBADMP CCC[NH+]1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108568158 811459375 /nfs/dbraw/zinc/45/93/75/811459375.db2.gz LMNBRXJJLYPKLE-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC)C2)C1 ZINC001108584206 811459976 /nfs/dbraw/zinc/45/99/76/811459976.db2.gz CGUSIEVBRLFXGP-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC)C2)C1 ZINC001108584206 811459981 /nfs/dbraw/zinc/45/99/81/811459981.db2.gz CGUSIEVBRLFXGP-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+]1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108568159 811460324 /nfs/dbraw/zinc/46/03/24/811460324.db2.gz LMNBRXJJLYPKLE-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001111153902 811541850 /nfs/dbraw/zinc/54/18/50/811541850.db2.gz USIXBRHZIPQWPN-MCIONIFRSA-N 2 1 297.399 -0.578 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001111153902 811541856 /nfs/dbraw/zinc/54/18/56/811541856.db2.gz USIXBRHZIPQWPN-MCIONIFRSA-N 2 1 297.399 -0.578 20 0 CBADMP COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277517 811542751 /nfs/dbraw/zinc/54/27/51/811542751.db2.gz VZBAMEXNUVIBSJ-MCIONIFRSA-N 2 1 299.415 -0.068 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001111279940 811543866 /nfs/dbraw/zinc/54/38/66/811543866.db2.gz LUZOYLDPZJPRQE-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(N)=O ZINC001111229903 811544117 /nfs/dbraw/zinc/54/41/17/811544117.db2.gz CLXOGSWDLFXJDX-LOWDOPEQSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(N)=O ZINC001111229903 811544123 /nfs/dbraw/zinc/54/41/23/811544123.db2.gz CLXOGSWDLFXJDX-LOWDOPEQSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(N)=O ZINC001111229903 811544126 /nfs/dbraw/zinc/54/41/26/811544126.db2.gz CLXOGSWDLFXJDX-LOWDOPEQSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(N)=O ZINC001111229903 811544131 /nfs/dbraw/zinc/54/41/31/811544131.db2.gz CLXOGSWDLFXJDX-LOWDOPEQSA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861466 811558696 /nfs/dbraw/zinc/55/86/96/811558696.db2.gz OPTPJQSURZYDBZ-HUBLWGQQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CCC[C@@](F)(C[NH3+])CC2)CC1 ZINC001157741391 815460397 /nfs/dbraw/zinc/46/03/97/815460397.db2.gz WZWFQNSHAIPNEM-AWEZNQCLSA-N 2 1 286.395 -0.087 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001113275770 811628596 /nfs/dbraw/zinc/62/85/96/811628596.db2.gz YWVCERWJMBPHCR-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP COC[C@@H](O)C[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113300294 811630218 /nfs/dbraw/zinc/63/02/18/811630218.db2.gz PGBZPHZIRQFYGS-LBPRGKRZSA-N 2 1 273.377 -0.910 20 0 CBADMP COC[C@H](O)C[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113300293 811630862 /nfs/dbraw/zinc/63/08/62/811630862.db2.gz PGBZPHZIRQFYGS-GFCCVEGCSA-N 2 1 273.377 -0.910 20 0 CBADMP CO[C@@H](C)C[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113545219 811645779 /nfs/dbraw/zinc/64/57/79/811645779.db2.gz DOPQIHOQDWKHFS-ZDUSSCGKSA-N 2 1 287.404 -0.256 20 0 CBADMP COC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001113629617 811652311 /nfs/dbraw/zinc/65/23/11/811652311.db2.gz QCJCWZWLQWOKNO-QWHCGFSZSA-N 2 1 285.388 -0.910 20 0 CBADMP COC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113629617 811652313 /nfs/dbraw/zinc/65/23/13/811652313.db2.gz QCJCWZWLQWOKNO-QWHCGFSZSA-N 2 1 285.388 -0.910 20 0 CBADMP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C[C@@H]1[NH3+] ZINC001157792868 815467460 /nfs/dbraw/zinc/46/74/60/815467460.db2.gz FTNTZEZWFXZOPB-MIMYLULJSA-N 3 1 251.334 -0.525 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114414352 811748134 /nfs/dbraw/zinc/74/81/34/811748134.db2.gz RMZNXIWQVOMKQV-PQFRYHKHSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114414352 811748140 /nfs/dbraw/zinc/74/81/40/811748140.db2.gz RMZNXIWQVOMKQV-PQFRYHKHSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114414352 811748144 /nfs/dbraw/zinc/74/81/44/811748144.db2.gz RMZNXIWQVOMKQV-PQFRYHKHSA-N 2 1 294.399 -0.609 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114414352 811748151 /nfs/dbraw/zinc/74/81/51/811748151.db2.gz RMZNXIWQVOMKQV-PQFRYHKHSA-N 2 1 294.399 -0.609 20 0 CBADMP C[N@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21)C1CCC1 ZINC001114412163 811748301 /nfs/dbraw/zinc/74/83/01/811748301.db2.gz RGZAPEJJNWHMCM-YABSGUDNSA-N 2 1 280.372 -0.998 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21)C1CCC1 ZINC001114412163 811748306 /nfs/dbraw/zinc/74/83/06/811748306.db2.gz RGZAPEJJNWHMCM-YABSGUDNSA-N 2 1 280.372 -0.998 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)C1CCC1 ZINC001114412163 811748309 /nfs/dbraw/zinc/74/83/09/811748309.db2.gz RGZAPEJJNWHMCM-YABSGUDNSA-N 2 1 280.372 -0.998 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)C1CCC1 ZINC001114412163 811748313 /nfs/dbraw/zinc/74/83/13/811748313.db2.gz RGZAPEJJNWHMCM-YABSGUDNSA-N 2 1 280.372 -0.998 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114440697 811750611 /nfs/dbraw/zinc/75/06/11/811750611.db2.gz VGNHJVVRLINBTD-UNJBNNCHSA-N 2 1 296.415 -0.635 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114440697 811750617 /nfs/dbraw/zinc/75/06/17/811750617.db2.gz VGNHJVVRLINBTD-UNJBNNCHSA-N 2 1 296.415 -0.635 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001114483676 811751865 /nfs/dbraw/zinc/75/18/65/811751865.db2.gz KXXIRDIWVTZQDJ-NNYUYHANSA-N 2 1 296.415 -0.363 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001114483676 811751868 /nfs/dbraw/zinc/75/18/68/811751868.db2.gz KXXIRDIWVTZQDJ-NNYUYHANSA-N 2 1 296.415 -0.363 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001114483676 811751870 /nfs/dbraw/zinc/75/18/70/811751870.db2.gz KXXIRDIWVTZQDJ-NNYUYHANSA-N 2 1 296.415 -0.363 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001114483676 811751874 /nfs/dbraw/zinc/75/18/74/811751874.db2.gz KXXIRDIWVTZQDJ-NNYUYHANSA-N 2 1 296.415 -0.363 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001114483950 811752093 /nfs/dbraw/zinc/75/20/93/811752093.db2.gz OTGACRHEVVPTNS-GDNZZTSVSA-N 2 1 269.389 -0.245 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114483950 811752103 /nfs/dbraw/zinc/75/21/03/811752103.db2.gz OTGACRHEVVPTNS-GDNZZTSVSA-N 2 1 269.389 -0.245 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114483950 811752108 /nfs/dbraw/zinc/75/21/08/811752108.db2.gz OTGACRHEVVPTNS-GDNZZTSVSA-N 2 1 269.389 -0.245 20 0 CBADMP COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114678117 811760901 /nfs/dbraw/zinc/76/09/01/811760901.db2.gz JAOKXNLFYQNYQM-RGDJUOJXSA-N 2 1 297.399 -0.866 20 0 CBADMP COC[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001114678117 811760909 /nfs/dbraw/zinc/76/09/09/811760909.db2.gz JAOKXNLFYQNYQM-RGDJUOJXSA-N 2 1 297.399 -0.866 20 0 CBADMP COC[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001114678117 811760915 /nfs/dbraw/zinc/76/09/15/811760915.db2.gz JAOKXNLFYQNYQM-RGDJUOJXSA-N 2 1 297.399 -0.866 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157887347 815476544 /nfs/dbraw/zinc/47/65/44/815476544.db2.gz SQOCRCVMLLNFRN-LBPRGKRZSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@]1(O)CCN(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)C[C@@H]1F ZINC001157891155 815476642 /nfs/dbraw/zinc/47/66/42/815476642.db2.gz VDYRQDWQLKYRJM-JFGNBEQYSA-N 2 1 270.308 -0.399 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157899601 815477631 /nfs/dbraw/zinc/47/76/31/815477631.db2.gz AJUBCBVSSQCDAV-JTQLQIEISA-N 2 1 291.342 -0.196 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCO ZINC001157899113 815477918 /nfs/dbraw/zinc/47/79/18/815477918.db2.gz KAEKLHWCBORJGH-GFCCVEGCSA-N 2 1 257.378 -0.053 20 0 CBADMP [NH3+][C@@H](C(=O)N1CCc2nc[nH]c2C1)C1CC[NH2+]CC1 ZINC001157922636 815483166 /nfs/dbraw/zinc/48/31/66/815483166.db2.gz TVVPCXIWRLCFAA-GFCCVEGCSA-N 2 1 263.345 -0.379 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158029237 815499307 /nfs/dbraw/zinc/49/93/07/815499307.db2.gz GTSTXENVLAHXQO-STQMWFEESA-N 2 1 296.415 -0.297 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750899 812156867 /nfs/dbraw/zinc/15/68/67/812156867.db2.gz QNYSXTWDBYSXDY-CZXHOFHRSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)[NH+](C)C ZINC001114848473 812164890 /nfs/dbraw/zinc/16/48/90/812164890.db2.gz ACLHIBQXNMTNSG-RFQIPJPRSA-N 2 1 299.415 -0.618 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N2CCC[C@]23CCC[NH2+]C3)C1 ZINC001158160198 815507314 /nfs/dbraw/zinc/50/73/14/815507314.db2.gz JFXZYNDNYUHAPA-GVXVVHGQSA-N 2 1 252.362 -0.580 20 0 CBADMP 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 812171723 /nfs/dbraw/zinc/17/17/23/812171723.db2.gz FZTCSYZQCQNPNT-CIQGVGRVSA-N 2 1 296.415 -0.491 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001115080891 812178598 /nfs/dbraw/zinc/17/85/98/812178598.db2.gz HGGWMIYUSMAYPH-NHAGDIPZSA-N 2 1 299.415 -0.617 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001115080891 812178602 /nfs/dbraw/zinc/17/86/02/812178602.db2.gz HGGWMIYUSMAYPH-NHAGDIPZSA-N 2 1 299.415 -0.617 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001115080891 812178605 /nfs/dbraw/zinc/17/86/05/812178605.db2.gz HGGWMIYUSMAYPH-NHAGDIPZSA-N 2 1 299.415 -0.617 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001115156708 812181696 /nfs/dbraw/zinc/18/16/96/812181696.db2.gz TZOFNRHDNLEIMV-IMRBUKKESA-N 2 1 269.389 -0.243 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115156708 812181700 /nfs/dbraw/zinc/18/17/00/812181700.db2.gz TZOFNRHDNLEIMV-IMRBUKKESA-N 2 1 269.389 -0.243 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115156708 812181704 /nfs/dbraw/zinc/18/17/04/812181704.db2.gz TZOFNRHDNLEIMV-IMRBUKKESA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115144178 812181728 /nfs/dbraw/zinc/18/17/28/812181728.db2.gz RSDMYRITWYXCTA-CIQGVGRVSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115144178 812181735 /nfs/dbraw/zinc/18/17/35/812181735.db2.gz RSDMYRITWYXCTA-CIQGVGRVSA-N 2 1 296.415 -0.362 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115146206 812182261 /nfs/dbraw/zinc/18/22/61/812182261.db2.gz WCBKIEWVURDMGH-YABSGUDNSA-N 2 1 282.388 -0.750 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115146206 812182264 /nfs/dbraw/zinc/18/22/64/812182264.db2.gz WCBKIEWVURDMGH-YABSGUDNSA-N 2 1 282.388 -0.750 20 0 CBADMP NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115292934 812189954 /nfs/dbraw/zinc/18/99/54/812189954.db2.gz YGGIULKPPKVLPC-JYAVWHMHSA-N 2 1 294.399 -0.606 20 0 CBADMP NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115292934 812189962 /nfs/dbraw/zinc/18/99/62/812189962.db2.gz YGGIULKPPKVLPC-JYAVWHMHSA-N 2 1 294.399 -0.606 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001158346985 815521544 /nfs/dbraw/zinc/52/15/44/815521544.db2.gz FQKGUUJFHHLWOF-CQSZACIVSA-N 3 1 291.399 -0.028 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)CN1CC[NH2+]CC1)CC2 ZINC001158347524 815521684 /nfs/dbraw/zinc/52/16/84/815521684.db2.gz KIQHWGIHJRHFMY-UHFFFAOYSA-N 2 1 277.372 -0.449 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001118179333 812485521 /nfs/dbraw/zinc/48/55/21/812485521.db2.gz QYUBXKWCBQFANW-AVGNSLFASA-N 2 1 268.405 -0.147 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001118179335 812485902 /nfs/dbraw/zinc/48/59/02/812485902.db2.gz QYUBXKWCBQFANW-XQQFMLRXSA-N 2 1 268.405 -0.147 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158428351 815529268 /nfs/dbraw/zinc/52/92/68/815529268.db2.gz FOMMGUVCSZDSGW-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)CC[N@H+]1C ZINC001158428759 815529340 /nfs/dbraw/zinc/52/93/40/815529340.db2.gz RMQJUNSBKIVSMP-IJLUTSLNSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001158428323 815529631 /nfs/dbraw/zinc/52/96/31/815529631.db2.gz DBIKGRALPZKOGU-JHJVBQTASA-N 2 1 296.415 -0.299 20 0 CBADMP [NH3+]C1([C@H]2CN(C(=O)[C@@H]3COC[NH2+]3)C[C@@H]2CF)CC1 ZINC001158569278 815538278 /nfs/dbraw/zinc/53/82/78/815538278.db2.gz XKRKWHPZVKBMCD-GUBZILKMSA-N 2 1 257.309 -0.532 20 0 CBADMP COCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158508279 815536530 /nfs/dbraw/zinc/53/65/30/815536530.db2.gz UYPOWPGOZJFIJR-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158509144 815536786 /nfs/dbraw/zinc/53/67/86/815536786.db2.gz ZHXPSVPJBYCRMY-QWHCGFSZSA-N 2 1 285.388 -0.408 20 0 CBADMP CN1CCC[C@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC001118507147 812564059 /nfs/dbraw/zinc/56/40/59/812564059.db2.gz VVUWZIOWNIPWNR-OLZOCXBDSA-N 2 1 266.389 -0.413 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001118545046 812572094 /nfs/dbraw/zinc/57/20/94/812572094.db2.gz DEFSJCNJUPAJOV-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001158626166 815541219 /nfs/dbraw/zinc/54/12/19/815541219.db2.gz GBZFRXNYZDCNJB-XQQFMLRXSA-N 2 1 296.415 -0.123 20 0 CBADMP COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1cc[nH+]c(N)n1)CC2 ZINC001158634828 815541649 /nfs/dbraw/zinc/54/16/49/815541649.db2.gz HEUWDQVTGURCMX-RNCFNFMXSA-N 2 1 277.328 -0.210 20 0 CBADMP [NH3+]C1CC[NH+](CCc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC001118979813 812682456 /nfs/dbraw/zinc/68/24/56/812682456.db2.gz XYKVXTRHDIDOFW-CYBMUJFWSA-N 3 1 264.377 -0.222 20 0 CBADMP O=C1CC2(CCOCC2)[N@@H+](C[C@H]2CC[NH2+]C2)CCN1 ZINC001118994295 812686511 /nfs/dbraw/zinc/68/65/11/812686511.db2.gz SRUDPHOOHGCVCW-LBPRGKRZSA-N 2 1 267.373 -0.033 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001119036108 812694076 /nfs/dbraw/zinc/69/40/76/812694076.db2.gz DEFSDPWFXBCTLM-NWDGAFQWSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001119036110 812694853 /nfs/dbraw/zinc/69/48/53/812694853.db2.gz DEFSDPWFXBCTLM-VXGBXAGGSA-N 2 1 296.415 -0.123 20 0 CBADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)CC[NH2+]C)CC2 ZINC001158891194 815550204 /nfs/dbraw/zinc/55/02/04/815550204.db2.gz WBRHBBSFIXLZSV-UHFFFAOYSA-N 2 1 296.415 -0.201 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001119363405 812767686 /nfs/dbraw/zinc/76/76/86/812767686.db2.gz XZDUWVKCUKISOS-AGIUHOORSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC001119368160 812768403 /nfs/dbraw/zinc/76/84/03/812768403.db2.gz FVFOLKOHPMQUHF-QNWHQSFQSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC001119368160 812768408 /nfs/dbraw/zinc/76/84/08/812768408.db2.gz FVFOLKOHPMQUHF-QNWHQSFQSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119416854 812778553 /nfs/dbraw/zinc/77/85/53/812778553.db2.gz JPXIEQWJSNCXFM-MEWQQHAOSA-N 2 1 294.399 -0.561 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)C[C@@H]21 ZINC001119610877 812833713 /nfs/dbraw/zinc/83/37/13/812833713.db2.gz IRADOPQNKBREHJ-WOPDTQHZSA-N 2 1 294.399 -0.655 20 0 CBADMP CO[C@]1(C[NH2+][C@@H]2CCC[C@@H]2N)CCS(=O)(=O)C1 ZINC001119700871 812872509 /nfs/dbraw/zinc/87/25/09/812872509.db2.gz KIQZWJDUHINURU-AXFHLTTASA-N 2 1 262.375 -0.341 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)NC(C)(C)C[NH3+])cc2C[NH2+]1 ZINC001120452817 812968686 /nfs/dbraw/zinc/96/86/86/812968686.db2.gz LDBBFEOBIHPKHS-MRVPVSSYSA-N 2 1 251.334 -0.158 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N3CC[C@H](C[NH3+])C3)cc2C[NH2+]1 ZINC001120451764 812969209 /nfs/dbraw/zinc/96/92/09/812969209.db2.gz GSKZNKOWLQJZHZ-NXEZZACHSA-N 2 1 263.345 -0.204 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC[N@H+]1C ZINC001120517705 812981154 /nfs/dbraw/zinc/98/11/54/812981154.db2.gz UVZZOCXXYGERDA-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP O[C@@H](C[NH2+]CCNc1cnccn1)C[NH+]1CCCC1 ZINC001120573008 812994844 /nfs/dbraw/zinc/99/48/44/812994844.db2.gz KPIFMBXRUPTORI-LBPRGKRZSA-N 2 1 265.361 -0.065 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001120669253 813009700 /nfs/dbraw/zinc/00/97/00/813009700.db2.gz USBDIDKWUIAHEX-UHFFFAOYSA-N 2 1 297.447 -0.077 20 0 CBADMP [NH3+]CCNCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001121900142 813085676 /nfs/dbraw/zinc/08/56/76/813085676.db2.gz CJYSKMGAFHJCPH-CQSZACIVSA-N 2 1 276.384 -0.075 20 0 CBADMP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCC[NH+]1CCOCC1 ZINC001121897825 813086696 /nfs/dbraw/zinc/08/66/96/813086696.db2.gz PKCNLLXZNPEXMW-NWDGAFQWSA-N 2 1 273.377 -0.959 20 0 CBADMP CC(C)(O)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001121909074 813088976 /nfs/dbraw/zinc/08/89/76/813088976.db2.gz JCZIFTLEWLHREN-HBNTYKKESA-N 2 1 255.362 -0.172 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001121909455 813089239 /nfs/dbraw/zinc/08/92/39/813089239.db2.gz RQAIWXSRVJLBCJ-XSRFYTQQSA-N 2 1 255.362 -0.456 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001121922856 813090912 /nfs/dbraw/zinc/09/09/12/813090912.db2.gz QOCCDYUCCYCGRI-HIFRSBDPSA-N 2 1 299.415 -0.303 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)C1CC([NH3+])C1 ZINC001121943607 813094743 /nfs/dbraw/zinc/09/47/43/813094743.db2.gz KSNQBGARYSGLLI-HBIQZDMRSA-N 2 1 252.362 -0.677 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CNCC[NH3+])CC[C@@H]21 ZINC001121971485 813097714 /nfs/dbraw/zinc/09/77/14/813097714.db2.gz BVXDQFHBAWGIOB-NEPJUHHUSA-N 2 1 254.378 -0.523 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001121975365 813099362 /nfs/dbraw/zinc/09/93/62/813099362.db2.gz RGONGEDWUXMOFG-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP [NH3+]CC1(C(=O)N2CC[NH+](C3CC3)CC2)CC(O)C1 ZINC001121982556 813099734 /nfs/dbraw/zinc/09/97/34/813099734.db2.gz RJEZSJPFLXQLGD-UHFFFAOYSA-N 2 1 253.346 -0.607 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]([NH3+])CO)Cc1ccccc1 ZINC001121987439 813101531 /nfs/dbraw/zinc/10/15/31/813101531.db2.gz BPPBIGJXTHLRRR-GFCCVEGCSA-N 2 1 251.330 -0.446 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001121990090 813101751 /nfs/dbraw/zinc/10/17/51/813101751.db2.gz ZGLNTKMROYFNSM-DCBWTQNWSA-N 2 1 269.389 -0.067 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@]1(C)CC[NH2+]C1 ZINC001122079899 813114497 /nfs/dbraw/zinc/11/44/97/813114497.db2.gz TXVXWXZLHBACRE-NTZNESFSSA-N 2 1 252.362 -0.757 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001122076759 813114514 /nfs/dbraw/zinc/11/45/14/813114514.db2.gz FJGRHVYYDVJSGD-UTUOFQBUSA-N 2 1 255.362 -0.444 20 0 CBADMP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001122144152 813123969 /nfs/dbraw/zinc/12/39/69/813123969.db2.gz VJWITJPPHLXYRA-JVGWCMFKSA-N 2 1 269.389 -0.056 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001122197181 813131689 /nfs/dbraw/zinc/13/16/89/813131689.db2.gz XTWXJZZSLYVCTK-ZDEQEGDKSA-N 2 1 266.389 -0.239 20 0 CBADMP [NH3+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001122205075 813132528 /nfs/dbraw/zinc/13/25/28/813132528.db2.gz BPWACVCBSSZXPP-BREBYQMCSA-N 2 1 264.329 -0.175 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1C[C@H](C[NH3+])C1)c1cnn(C)c1 ZINC001122309517 813143792 /nfs/dbraw/zinc/14/37/92/813143792.db2.gz UCRTVSNBVJSHSV-LSJOCFKGSA-N 2 1 251.334 -0.466 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C[C@H](O)C[NH3+] ZINC001122339811 813149077 /nfs/dbraw/zinc/14/90/77/813149077.db2.gz HHFQIAAHKXTUCY-RYUDHWBXSA-N 2 1 257.378 -0.115 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@@H]1C[N@@H+](C)CCN1C ZINC001122447568 813165378 /nfs/dbraw/zinc/16/53/78/813165378.db2.gz FSRPOXFZXQCZOH-UPJWGTAASA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)C1CC[NH2+]CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001122447127 813165766 /nfs/dbraw/zinc/16/57/66/813165766.db2.gz BILZNJRWOZPZIY-WCQYABFASA-N 2 1 268.405 -0.264 20 0 CBADMP Cc1cc(N[C@H](CO)CNC(=O)CC[NH+](C)C)nc(C)[nH+]1 ZINC001122535622 813174483 /nfs/dbraw/zinc/17/44/83/813174483.db2.gz ZFCIOGVJVYHJEH-LBPRGKRZSA-N 2 1 295.387 -0.066 20 0 CBADMP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1C[N@@H+](C)CCN1C ZINC001122540551 813174735 /nfs/dbraw/zinc/17/47/35/813174735.db2.gz FKGGQJCSDHYVGN-OBJOEFQTSA-N 2 1 268.405 -0.121 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@@H]3COCC[NH2+]3)[C@H]2C1 ZINC001122571620 813177030 /nfs/dbraw/zinc/17/70/30/813177030.db2.gz BDEHJCMHBUVZMH-RNJOBUHISA-N 2 1 267.373 -0.179 20 0 CBADMP O=C(NCCC[NH2+]CCO)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001159868307 815602543 /nfs/dbraw/zinc/60/25/43/815602543.db2.gz APZJGHLLFDZIBF-AWEZNQCLSA-N 2 1 299.415 -0.282 20 0 CBADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCCC[NH2+]CCCO ZINC001159883132 815603040 /nfs/dbraw/zinc/60/30/40/815603040.db2.gz NZXGOGQFGIBDTE-ZDUSSCGKSA-N 2 1 297.403 -0.708 20 0 CBADMP CC[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159882554 815603073 /nfs/dbraw/zinc/60/30/73/815603073.db2.gz DLJXNDCORJJFDN-LBPRGKRZSA-N 2 1 267.377 -0.071 20 0 CBADMP CN(C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001124837318 813485314 /nfs/dbraw/zinc/48/53/14/813485314.db2.gz LTGAJOBKBDQTTD-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001124835907 813485427 /nfs/dbraw/zinc/48/54/27/813485427.db2.gz CBGQZKMIGGZCHD-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124838329 813486328 /nfs/dbraw/zinc/48/63/28/813486328.db2.gz WBYWHCQSEOGOKE-LLVKDONJSA-N 2 1 265.361 -0.280 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124838329 813486334 /nfs/dbraw/zinc/48/63/34/813486334.db2.gz WBYWHCQSEOGOKE-LLVKDONJSA-N 2 1 265.361 -0.280 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124873025 813490767 /nfs/dbraw/zinc/49/07/67/813490767.db2.gz RMLLZSCVBPSJIW-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001124867672 813491420 /nfs/dbraw/zinc/49/14/20/813491420.db2.gz XNZVNKPPGAYWRF-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124873265 813492468 /nfs/dbraw/zinc/49/24/68/813492468.db2.gz UZRLUXTXUKORIE-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124873264 813492477 /nfs/dbraw/zinc/49/24/77/813492477.db2.gz UZRLUXTXUKORIE-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001124879474 813493380 /nfs/dbraw/zinc/49/33/80/813493380.db2.gz UQCIUTAVCDJXEI-STQMWFEESA-N 2 1 296.415 -0.297 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001124879234 813493512 /nfs/dbraw/zinc/49/35/12/813493512.db2.gz QXWZVYWYNVMCOO-NSHDSACASA-N 2 1 266.349 -0.885 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001124879234 813493517 /nfs/dbraw/zinc/49/35/17/813493517.db2.gz QXWZVYWYNVMCOO-NSHDSACASA-N 2 1 266.349 -0.885 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001124878815 813494299 /nfs/dbraw/zinc/49/42/99/813494299.db2.gz OWJVSUCACOJRKF-NXEZZACHSA-N 2 1 256.350 -0.950 20 0 CBADMP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124879121 813495007 /nfs/dbraw/zinc/49/50/07/813495007.db2.gz QBLCFMQJLMKFDV-VXGBXAGGSA-N 2 1 257.378 -0.053 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001124873584 813495315 /nfs/dbraw/zinc/49/53/15/813495315.db2.gz ZFHOTOCFYBLFLW-QWRGUYRKSA-N 2 1 268.361 -0.935 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnns1 ZINC001124879677 813495392 /nfs/dbraw/zinc/49/53/92/813495392.db2.gz YHZVZIZVZBYYMP-SNVBAGLBSA-N 2 1 269.374 -0.162 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnns1 ZINC001124879677 813495395 /nfs/dbraw/zinc/49/53/95/813495395.db2.gz YHZVZIZVZBYYMP-SNVBAGLBSA-N 2 1 269.374 -0.162 20 0 CBADMP Cc1cncc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001125213333 813533331 /nfs/dbraw/zinc/53/33/31/813533331.db2.gz FGNUWZQQDCQIAZ-AWEZNQCLSA-N 2 1 292.383 -0.074 20 0 CBADMP Cc1cncc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001125213333 813533337 /nfs/dbraw/zinc/53/33/37/813533337.db2.gz FGNUWZQQDCQIAZ-AWEZNQCLSA-N 2 1 292.383 -0.074 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001125222838 813534688 /nfs/dbraw/zinc/53/46/88/813534688.db2.gz XMQWKDNPNNRTGG-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001125222838 813534696 /nfs/dbraw/zinc/53/46/96/813534696.db2.gz XMQWKDNPNNRTGG-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOCC(F)F)C1 ZINC001125220843 813535693 /nfs/dbraw/zinc/53/56/93/813535693.db2.gz KZLFQFQCBQKDOP-SNVBAGLBSA-N 2 1 295.330 -0.696 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOCC(F)F)C1 ZINC001125220843 813535696 /nfs/dbraw/zinc/53/56/96/813535696.db2.gz KZLFQFQCBQKDOP-SNVBAGLBSA-N 2 1 295.330 -0.696 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCc2ccns2)C1 ZINC001125221251 813536763 /nfs/dbraw/zinc/53/67/63/813536763.db2.gz OQJJTJQDJJXOCT-LBPRGKRZSA-N 2 1 298.412 -0.278 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCc2ccns2)C1 ZINC001125221251 813536770 /nfs/dbraw/zinc/53/67/70/813536770.db2.gz OQJJTJQDJJXOCT-LBPRGKRZSA-N 2 1 298.412 -0.278 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@H]2CCCO2)C1 ZINC001125222253 813537120 /nfs/dbraw/zinc/53/71/20/813537120.db2.gz UMRGDECKXUHCQH-OLZOCXBDSA-N 2 1 285.388 -0.408 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@H]2CCCO2)C1 ZINC001125222253 813537128 /nfs/dbraw/zinc/53/71/28/813537128.db2.gz UMRGDECKXUHCQH-OLZOCXBDSA-N 2 1 285.388 -0.408 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOCC(F)F)C1 ZINC001125220842 813537147 /nfs/dbraw/zinc/53/71/47/813537147.db2.gz KZLFQFQCBQKDOP-JTQLQIEISA-N 2 1 295.330 -0.696 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOCC(F)F)C1 ZINC001125220842 813537151 /nfs/dbraw/zinc/53/71/51/813537151.db2.gz KZLFQFQCBQKDOP-JTQLQIEISA-N 2 1 295.330 -0.696 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001127067499 813710163 /nfs/dbraw/zinc/71/01/63/813710163.db2.gz YKYAQOPOSRYFFF-MNOVXSKESA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001127685320 813741260 /nfs/dbraw/zinc/74/12/60/813741260.db2.gz NBNPCWXSBINSAW-VXGBXAGGSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2ncnn2C)CC[N@@H+]1C ZINC001127695257 813741685 /nfs/dbraw/zinc/74/16/85/813741685.db2.gz HHSUMRVHWFBYPM-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2ncnn2C)CC[N@H+]1C ZINC001127695257 813741690 /nfs/dbraw/zinc/74/16/90/813741690.db2.gz HHSUMRVHWFBYPM-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001127675697 813741814 /nfs/dbraw/zinc/74/18/14/813741814.db2.gz ULSOBQZWQHSSHX-WDEREUQCSA-N 2 1 295.387 -0.024 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127695249 813741849 /nfs/dbraw/zinc/74/18/49/813741849.db2.gz GRMOMMSIVYCTTF-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC)CC[N@H+]1C ZINC001127701070 813742066 /nfs/dbraw/zinc/74/20/66/813742066.db2.gz GUCBDIBCAUCTOL-SDDRHHMPSA-N 2 1 284.404 -0.443 20 0 CBADMP COCCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127784805 813748880 /nfs/dbraw/zinc/74/88/80/813748880.db2.gz BNXRUNYJMLILBE-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP O=C(NCC[NH2+]CCF)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779563 813748961 /nfs/dbraw/zinc/74/89/61/813748961.db2.gz OEWKQWQIMHKBSL-GHMZBOCLSA-N 2 1 259.325 -0.475 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001128778152 813797825 /nfs/dbraw/zinc/79/78/25/813797825.db2.gz BNTXZWOQPDOWOI-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001128786799 813800001 /nfs/dbraw/zinc/80/00/01/813800001.db2.gz WDGTYMDBTTXYFR-RYUDHWBXSA-N 2 1 257.378 -0.053 20 0 CBADMP CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129220260 813825652 /nfs/dbraw/zinc/82/56/52/813825652.db2.gz UCXOSPKMZQVHCC-OLZOCXBDSA-N 2 1 294.403 -0.019 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001129328317 813836196 /nfs/dbraw/zinc/83/61/96/813836196.db2.gz OGFWQCMTOWRBJH-ZDUSSCGKSA-N 2 1 298.431 -0.242 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129416141 813838980 /nfs/dbraw/zinc/83/89/80/813838980.db2.gz DUVBMRMZYXICQN-NEPJUHHUSA-N 2 1 296.371 -0.526 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129416143 813840932 /nfs/dbraw/zinc/84/09/32/813840932.db2.gz DUVBMRMZYXICQN-RYUDHWBXSA-N 2 1 296.371 -0.526 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21)C(N)=O ZINC001129417845 813841569 /nfs/dbraw/zinc/84/15/69/813841569.db2.gz QJPQJXUPKIBFTN-ZJUUUORDSA-N 2 1 279.344 -0.660 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CCO ZINC001129423310 813841750 /nfs/dbraw/zinc/84/17/50/813841750.db2.gz RWJULTFSLUZRNH-LBPRGKRZSA-N 2 1 257.378 -0.053 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001129418991 813841934 /nfs/dbraw/zinc/84/19/34/813841934.db2.gz ZTGUHRZPLAITPK-STQMWFEESA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001129422730 813843681 /nfs/dbraw/zinc/84/36/81/813843681.db2.gz LHNSRPVMRUNBDN-RYUDHWBXSA-N 2 1 284.404 -0.171 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129437377 813846166 /nfs/dbraw/zinc/84/61/66/813846166.db2.gz ZQXOLHZRVPVLIS-CYBMUJFWSA-N 2 1 294.403 -0.156 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC001129842006 813869529 /nfs/dbraw/zinc/86/95/29/813869529.db2.gz RQMVWRRMWNOHMJ-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001129856555 813872069 /nfs/dbraw/zinc/87/20/69/813872069.db2.gz UDNSGHLLWUJKFV-CYBMUJFWSA-N 2 1 296.415 -0.155 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130189967 813915453 /nfs/dbraw/zinc/91/54/53/813915453.db2.gz UJMNJCWOCWCLSV-RYUDHWBXSA-N 2 1 282.388 -0.545 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130188577 813916392 /nfs/dbraw/zinc/91/63/92/813916392.db2.gz GQKUHCVGEUBFBL-VXGBXAGGSA-N 2 1 255.362 -0.299 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCOCC2CC2)O1 ZINC001130184414 813916517 /nfs/dbraw/zinc/91/65/17/813916517.db2.gz PDQFIOBOUSBRRF-TZMCWYRMSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCOCC2CC2)O1 ZINC001130184414 813916519 /nfs/dbraw/zinc/91/65/19/813916519.db2.gz PDQFIOBOUSBRRF-TZMCWYRMSA-N 2 1 299.415 -0.162 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130186244 813916928 /nfs/dbraw/zinc/91/69/28/813916928.db2.gz DJXRPEGSSYGOEG-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NC ZINC001130419064 813938641 /nfs/dbraw/zinc/93/86/41/813938641.db2.gz JYONGZVTSAWNDK-UHFFFAOYSA-N 2 1 258.366 -0.832 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)N(C)C ZINC001130304013 813924380 /nfs/dbraw/zinc/92/43/80/813924380.db2.gz QJVJLCHGMYPKNU-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130300872 813924544 /nfs/dbraw/zinc/92/45/44/813924544.db2.gz WRDDODKXIHQEJV-WDEREUQCSA-N 2 1 270.377 -0.689 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001130425284 813938052 /nfs/dbraw/zinc/93/80/52/813938052.db2.gz RMEOEIZQHPLION-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1cnnn1C ZINC001130419254 813938845 /nfs/dbraw/zinc/93/88/45/813938845.db2.gz RJVJGPGNBYXFAZ-UHFFFAOYSA-N 2 1 282.392 -0.249 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130711635 813968016 /nfs/dbraw/zinc/96/80/16/813968016.db2.gz YQIQFSKBWLMXFC-GFCCVEGCSA-N 2 1 284.404 -0.441 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001131387521 814027011 /nfs/dbraw/zinc/02/70/11/814027011.db2.gz SNEXVUIRXBHDTP-NSHDSACASA-N 2 1 281.360 -0.626 20 0 CBADMP COCCC[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380048 814027787 /nfs/dbraw/zinc/02/77/87/814027787.db2.gz BEICLGADLFSENF-UHFFFAOYSA-N 2 1 254.334 -0.066 20 0 CBADMP CC[N@@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381415 814028088 /nfs/dbraw/zinc/02/80/88/814028088.db2.gz NLIDJSOWPFUCKW-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CC[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381415 814028092 /nfs/dbraw/zinc/02/80/92/814028092.db2.gz NLIDJSOWPFUCKW-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131384719 814028109 /nfs/dbraw/zinc/02/81/09/814028109.db2.gz IAAAZKLIFKPCBL-SNVBAGLBSA-N 2 1 267.333 -0.968 20 0 CBADMP COCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520286 814037487 /nfs/dbraw/zinc/03/74/87/814037487.db2.gz WWUOTHCOCZMKTM-MBHSVXNSSA-N 2 1 283.372 -0.798 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC(N)=O ZINC001132274696 814120912 /nfs/dbraw/zinc/12/09/12/814120912.db2.gz YLEVEEQCFXSNLH-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC(N)=O ZINC001132274696 814120914 /nfs/dbraw/zinc/12/09/14/814120914.db2.gz YLEVEEQCFXSNLH-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC(N)=O)C1 ZINC001132409833 814148717 /nfs/dbraw/zinc/14/87/17/814148717.db2.gz FSMZFWFWVCWKSI-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC(N)=O)C1 ZINC001132409833 814148723 /nfs/dbraw/zinc/14/87/23/814148723.db2.gz FSMZFWFWVCWKSI-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132409833 814148729 /nfs/dbraw/zinc/14/87/29/814148729.db2.gz FSMZFWFWVCWKSI-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132409833 814148734 /nfs/dbraw/zinc/14/87/34/814148734.db2.gz FSMZFWFWVCWKSI-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001132736916 814182157 /nfs/dbraw/zinc/18/21/57/814182157.db2.gz GDRQNYHGZWCRMD-QWHCGFSZSA-N 2 1 296.415 -0.297 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001132736914 814182522 /nfs/dbraw/zinc/18/25/22/814182522.db2.gz GDRQNYHGZWCRMD-CHWSQXEVSA-N 2 1 296.415 -0.297 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C1 ZINC001132738045 814183304 /nfs/dbraw/zinc/18/33/04/814183304.db2.gz UMLGPNXDTOLGTF-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132848822 814193522 /nfs/dbraw/zinc/19/35/22/814193522.db2.gz SWEKIAYBTCIKRF-OLZOCXBDSA-N 2 1 287.404 -0.164 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001132893696 814200016 /nfs/dbraw/zinc/20/00/16/814200016.db2.gz XZLBPWMDEUYWIP-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[NH2+]CCCO)CC2 ZINC001133000541 814206169 /nfs/dbraw/zinc/20/61/69/814206169.db2.gz BUDFFRMUGLZZGI-LBPRGKRZSA-N 2 1 280.372 -0.158 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)[nH]1 ZINC001132994952 814206239 /nfs/dbraw/zinc/20/62/39/814206239.db2.gz HJKVSOFWODYHSA-UHFFFAOYSA-N 2 1 280.376 -0.339 20 0 CBADMP CCc1nnc(C[NH2+]CCNC(=O)CCC[NH+](C)C)n1C ZINC001133040612 814212620 /nfs/dbraw/zinc/21/26/20/814212620.db2.gz ZNNVKBANTWNGNP-UHFFFAOYSA-N 2 1 296.419 -0.075 20 0 CBADMP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1nncn1C ZINC001133833655 814301672 /nfs/dbraw/zinc/30/16/72/814301672.db2.gz BMXNYTPTRBDTTJ-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1nncn1C ZINC001133833655 814301678 /nfs/dbraw/zinc/30/16/78/814301678.db2.gz BMXNYTPTRBDTTJ-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133833693 814302758 /nfs/dbraw/zinc/30/27/58/814302758.db2.gz COILWIYIRBRZKW-GFCCVEGCSA-N 2 1 294.403 -0.012 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133833693 814302763 /nfs/dbraw/zinc/30/27/63/814302763.db2.gz COILWIYIRBRZKW-GFCCVEGCSA-N 2 1 294.403 -0.012 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001133845510 814307516 /nfs/dbraw/zinc/30/75/16/814307516.db2.gz HPYNFSAJQJATOG-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001133845446 814307970 /nfs/dbraw/zinc/30/79/70/814307970.db2.gz GDIBUPAPZYTZBW-CYBMUJFWSA-N 2 1 279.388 -0.069 20 0 CBADMP CCN1CC[C@H]([NH2+]CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001133845691 814308199 /nfs/dbraw/zinc/30/81/99/814308199.db2.gz LRVYXRJATQOIGB-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(N)=O ZINC001133845740 814308412 /nfs/dbraw/zinc/30/84/12/814308412.db2.gz MMYIZTWVTVPFGJ-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001133845636 814308580 /nfs/dbraw/zinc/30/85/80/814308580.db2.gz KIECXTQFUHSBEA-NEPJUHHUSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001133845638 814309183 /nfs/dbraw/zinc/30/91/83/814309183.db2.gz KIECXTQFUHSBEA-RYUDHWBXSA-N 2 1 282.388 -0.687 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845475 814309253 /nfs/dbraw/zinc/30/92/53/814309253.db2.gz GZCNVLGICRBHSQ-ZDUSSCGKSA-N 2 1 298.431 -0.194 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCn1cccn1 ZINC001133862844 814310566 /nfs/dbraw/zinc/31/05/66/814310566.db2.gz GUTDAQBSZSWGJA-STQMWFEESA-N 2 1 279.388 -0.213 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001133862835 814310655 /nfs/dbraw/zinc/31/06/55/814310655.db2.gz GTTJWHZLJMLWBG-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001133863496 814311214 /nfs/dbraw/zinc/31/12/14/814311214.db2.gz MRVHSAVTDBIKSM-ZYHUDNBSSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001133863496 814311219 /nfs/dbraw/zinc/31/12/19/814311219.db2.gz MRVHSAVTDBIKSM-ZYHUDNBSSA-N 2 1 280.376 -0.781 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cnn(C)c2)C1 ZINC001133853656 814311289 /nfs/dbraw/zinc/31/12/89/814311289.db2.gz NOLNSDLIKGACPC-LBPRGKRZSA-N 2 1 279.388 -0.032 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133862059 814311522 /nfs/dbraw/zinc/31/15/22/814311522.db2.gz AJHLYIKVXDGELW-STQMWFEESA-N 2 1 287.404 -0.447 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001133864016 814312893 /nfs/dbraw/zinc/31/28/93/814312893.db2.gz SWRQQFSCPFXDBB-GXTWGEPZSA-N 2 1 293.415 -0.134 20 0 CBADMP CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133867277 814313720 /nfs/dbraw/zinc/31/37/20/814313720.db2.gz TUYMDENOYXLFAR-VXGBXAGGSA-N 2 1 257.378 -0.074 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133869278 814314399 /nfs/dbraw/zinc/31/43/99/814314399.db2.gz CIFXSGNEBGSRIS-OLZOCXBDSA-N 2 1 298.431 -0.243 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C2 ZINC001133865292 814315466 /nfs/dbraw/zinc/31/54/66/814315466.db2.gz CAUQIEFHLUYABG-KOLCDFICSA-N 2 1 293.371 -0.666 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001133866712 814315651 /nfs/dbraw/zinc/31/56/51/814315651.db2.gz OBHOBONSQHPLIK-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001133868152 814315903 /nfs/dbraw/zinc/31/59/03/814315903.db2.gz ZXRVVEYEVVUKCJ-NWDGAFQWSA-N 2 1 282.388 -0.878 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)[nH]1 ZINC001133864071 814315963 /nfs/dbraw/zinc/31/59/63/814315963.db2.gz USPGYDZFEDRGNX-KOLCDFICSA-N 2 1 280.376 -0.483 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)[nH]1 ZINC001133864071 814315972 /nfs/dbraw/zinc/31/59/72/814315972.db2.gz USPGYDZFEDRGNX-KOLCDFICSA-N 2 1 280.376 -0.483 20 0 CBADMP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133870427 814317078 /nfs/dbraw/zinc/31/70/78/814317078.db2.gz SZBSYMFYEQRGKZ-OLZOCXBDSA-N 2 1 298.431 -0.194 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)n1 ZINC001133899788 814321248 /nfs/dbraw/zinc/32/12/48/814321248.db2.gz XDQZWDAMNXQATQ-UHFFFAOYSA-N 2 1 296.419 -0.001 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)n1 ZINC001133899788 814321258 /nfs/dbraw/zinc/32/12/58/814321258.db2.gz XDQZWDAMNXQATQ-UHFFFAOYSA-N 2 1 296.419 -0.001 20 0 CBADMP C[N@@H+](CCc1ccccc1)CC(=O)NCC[NH2+]CCO ZINC001133922116 814325544 /nfs/dbraw/zinc/32/55/44/814325544.db2.gz QGZNQOQCLWAMQW-UHFFFAOYSA-N 2 1 279.384 -0.141 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134570478 814397659 /nfs/dbraw/zinc/39/76/59/814397659.db2.gz QNGVOLWDARNRNU-NSHDSACASA-N 2 1 295.387 -0.153 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+]CC(N)=O ZINC001134570788 814398519 /nfs/dbraw/zinc/39/85/19/814398519.db2.gz YQXQBBIBIFLWBO-UHFFFAOYSA-N 2 1 267.333 -0.802 20 0 CBADMP O=C(NCC[NH2+]CCOCCO)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135095677 814436761 /nfs/dbraw/zinc/43/67/61/814436761.db2.gz NRFAORRSGDXSRJ-KBPBESRZSA-N 2 1 299.415 -0.282 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135102232 814437502 /nfs/dbraw/zinc/43/75/02/814437502.db2.gz AIYDYSRIVNPMEN-NEPJUHHUSA-N 2 1 255.362 -0.299 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135102234 814437512 /nfs/dbraw/zinc/43/75/12/814437512.db2.gz AIYDYSRIVNPMEN-RYUDHWBXSA-N 2 1 255.362 -0.299 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135095232 814438324 /nfs/dbraw/zinc/43/83/24/814438324.db2.gz BIXJDKPBISYWQE-WDEREUQCSA-N 2 1 268.361 -0.806 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+]CCOCCO ZINC001135305253 814460676 /nfs/dbraw/zinc/46/06/76/814460676.db2.gz OGAAMFGCMRONAD-UHFFFAOYSA-N 2 1 298.387 -0.314 20 0 CBADMP Cn1cnnc1C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997563 815606076 /nfs/dbraw/zinc/60/60/76/815606076.db2.gz SBOFYXFFNMAUEC-UHFFFAOYSA-N 2 1 294.403 -0.105 20 0 CBADMP CO[C@@H](C)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352585 814468775 /nfs/dbraw/zinc/46/87/75/814468775.db2.gz JALOBZWQGZZISE-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NC ZINC001135437082 814475277 /nfs/dbraw/zinc/47/52/77/814475277.db2.gz NAPNXPLYOCLQHZ-UHFFFAOYSA-N 2 1 286.420 -0.050 20 0 CBADMP O=C([C@H]1[NH2+]CC[C@@H]1O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155069 815610724 /nfs/dbraw/zinc/61/07/24/815610724.db2.gz DMSBXFZLQJASQQ-CRWXNKLISA-N 2 1 295.383 -0.969 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001160272470 815614441 /nfs/dbraw/zinc/61/44/41/815614441.db2.gz AVXNAJYWKYCWLL-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001160274195 815614576 /nfs/dbraw/zinc/61/45/76/815614576.db2.gz QKVNYNUIBDXKCW-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H](C[C@H](C)[NH2+]CCO)NC(=O)CC[NH+]1CCOCC1 ZINC001135692753 814512168 /nfs/dbraw/zinc/51/21/68/814512168.db2.gz QFHZRMBRTPVLJE-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@@H](O)C[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135892554 814534595 /nfs/dbraw/zinc/53/45/95/814534595.db2.gz PEMLVQCQBSGPHB-LLVKDONJSA-N 2 1 289.339 -0.033 20 0 CBADMP C[NH+]1CCC(OCC(=O)NCC[NH2+]Cc2ccon2)CC1 ZINC001135958730 814540421 /nfs/dbraw/zinc/54/04/21/814540421.db2.gz DRQSJPPYUHTDGK-UHFFFAOYSA-N 2 1 296.371 -0.009 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001135981088 814542559 /nfs/dbraw/zinc/54/25/59/814542559.db2.gz XLMJHPAGVGNUDC-QWRGUYRKSA-N 2 1 272.393 -0.314 20 0 CBADMP CC[N@@H+]1CC[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC001136076683 814550893 /nfs/dbraw/zinc/55/08/93/814550893.db2.gz UNLPQWOBNFGGCO-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP CC[N@H+]1CC[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC001136076683 814550901 /nfs/dbraw/zinc/55/09/01/814550901.db2.gz UNLPQWOBNFGGCO-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP CC[N@@H+]1CC[C@@H]1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC001139828206 814628056 /nfs/dbraw/zinc/62/80/56/814628056.db2.gz PEZLNKGPEPBQAO-OCCSQVGLSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[N@H+]1CC[C@@H]1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC001139828206 814628064 /nfs/dbraw/zinc/62/80/64/814628064.db2.gz PEZLNKGPEPBQAO-OCCSQVGLSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC001140115724 814633005 /nfs/dbraw/zinc/63/30/05/814633005.db2.gz CPVUFMCTEWECAC-FRRDWIJNSA-N 2 1 267.373 -0.252 20 0 CBADMP CC[N@H+]1CC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC001140115724 814633007 /nfs/dbraw/zinc/63/30/07/814633007.db2.gz CPVUFMCTEWECAC-FRRDWIJNSA-N 2 1 267.373 -0.252 20 0 CBADMP CC[NH+]1CC[C@@H]1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001140115724 814633011 /nfs/dbraw/zinc/63/30/11/814633011.db2.gz CPVUFMCTEWECAC-FRRDWIJNSA-N 2 1 267.373 -0.252 20 0 CBADMP CC[NH+]1CC[C@@H]1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001140115724 814633019 /nfs/dbraw/zinc/63/30/19/814633019.db2.gz CPVUFMCTEWECAC-FRRDWIJNSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001141196526 814649860 /nfs/dbraw/zinc/64/98/60/814649860.db2.gz FZCIHWPEXWHBSR-OWTLIXCDSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)C[C@@H]21 ZINC001141196526 814649865 /nfs/dbraw/zinc/64/98/65/814649865.db2.gz FZCIHWPEXWHBSR-OWTLIXCDSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)C[C@@H]21 ZINC001141196526 814649869 /nfs/dbraw/zinc/64/98/69/814649869.db2.gz FZCIHWPEXWHBSR-OWTLIXCDSA-N 2 1 267.373 -0.396 20 0 CBADMP COC[C@]12CCCO[C@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001159624099 815582515 /nfs/dbraw/zinc/58/25/15/815582515.db2.gz HOBIOPZPZVSFME-SGMGOOAPSA-N 2 1 285.388 -0.293 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CC(N)=O)CC1 ZINC001159628179 815582773 /nfs/dbraw/zinc/58/27/73/815582773.db2.gz DVLCNZCBLDFSRS-CYBMUJFWSA-N 2 1 294.399 -0.296 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CC(N)=O)CC1 ZINC001159628179 815582777 /nfs/dbraw/zinc/58/27/77/815582777.db2.gz DVLCNZCBLDFSRS-CYBMUJFWSA-N 2 1 294.399 -0.296 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC(N)=O)CC1 ZINC001159628179 815582781 /nfs/dbraw/zinc/58/27/81/815582781.db2.gz DVLCNZCBLDFSRS-CYBMUJFWSA-N 2 1 294.399 -0.296 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001159628179 815582784 /nfs/dbraw/zinc/58/27/84/815582784.db2.gz DVLCNZCBLDFSRS-CYBMUJFWSA-N 2 1 294.399 -0.296 20 0 CBADMP CN1CC[NH+](CCC(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1 ZINC001143236695 814765072 /nfs/dbraw/zinc/76/50/72/814765072.db2.gz QRUZACLDNCUORZ-UHFFFAOYSA-N 3 1 284.408 -0.915 20 0 CBADMP CN(CC(=O)N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1)C(N)=[NH2+] ZINC001144136931 814773387 /nfs/dbraw/zinc/77/33/87/814773387.db2.gz MRIQUGULJVDFGD-VHSXEESVSA-N 2 1 253.350 -0.636 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001146705874 814843774 /nfs/dbraw/zinc/84/37/74/814843774.db2.gz WKQJJSNLIAIHQI-JTQLQIEISA-N 2 1 283.380 -0.681 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001146705874 814843778 /nfs/dbraw/zinc/84/37/78/814843778.db2.gz WKQJJSNLIAIHQI-JTQLQIEISA-N 2 1 283.380 -0.681 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001146709780 814843973 /nfs/dbraw/zinc/84/39/73/814843973.db2.gz DMEZZSSTMLRJMN-LBPRGKRZSA-N 2 1 294.403 -0.187 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001146719964 814844734 /nfs/dbraw/zinc/84/47/34/814844734.db2.gz YLJUVSLYXPHROI-UHFFFAOYSA-N 2 1 298.431 -0.050 20 0 CBADMP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146719692 814844935 /nfs/dbraw/zinc/84/49/35/814844935.db2.gz UXQAMPNFCWHZEL-GFCCVEGCSA-N 2 1 286.420 -0.051 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001146719294 814845208 /nfs/dbraw/zinc/84/52/08/814845208.db2.gz OTUCNEYMIOGIMT-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001146719711 814845453 /nfs/dbraw/zinc/84/54/53/814845453.db2.gz VZVDPEYLDHMNKX-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001146719712 814845638 /nfs/dbraw/zinc/84/56/38/814845638.db2.gz VZVDPEYLDHMNKX-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP Cc1cc(C[NH2+]CCNC(=O)COCC[NH+](C)C)no1 ZINC001147841293 814919341 /nfs/dbraw/zinc/91/93/41/814919341.db2.gz DFAVWAJLJNYRAT-UHFFFAOYSA-N 2 1 284.360 -0.233 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001147878440 814922145 /nfs/dbraw/zinc/92/21/45/814922145.db2.gz YVYCWCYFSMDHEO-GFCCVEGCSA-N 2 1 279.388 -0.032 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878476 814922927 /nfs/dbraw/zinc/92/29/27/814922927.db2.gz ZSULTRSOPMCBCG-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001147885960 814923023 /nfs/dbraw/zinc/92/30/23/814923023.db2.gz QOCNZAKMDRISPM-LBPRGKRZSA-N 2 1 297.403 -0.941 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001147893451 814923739 /nfs/dbraw/zinc/92/37/39/814923739.db2.gz QQEJTYQKSJKDFK-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001147892094 814923901 /nfs/dbraw/zinc/92/39/01/814923901.db2.gz HZGNUPPDQHWEGP-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001159924367 815604052 /nfs/dbraw/zinc/60/40/52/815604052.db2.gz JIOJOPHFNVQQMR-NSHDSACASA-N 2 1 293.371 -0.398 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155195 815610182 /nfs/dbraw/zinc/61/01/82/815610182.db2.gz GDPHCNSTBJTNJY-WCFLWFBJSA-N 2 1 267.373 -0.097 20 0 CBADMP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN(C2CCOCC2)CC1 ZINC001160491260 815630301 /nfs/dbraw/zinc/63/03/01/815630301.db2.gz ZPFXSYZQQCUPNS-ZDUSSCGKSA-N 2 1 284.404 -0.624 20 0 CBADMP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC1 ZINC001160537625 815634104 /nfs/dbraw/zinc/63/41/04/815634104.db2.gz NVKCGKLTFIOERB-PWSUYJOCSA-N 2 1 254.378 -0.382 20 0 CBADMP CCOC(=O)[C@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CCO1 ZINC001160596054 815642211 /nfs/dbraw/zinc/64/22/11/815642211.db2.gz AAJOQWNMTQHSFM-GFCCVEGCSA-N 2 1 299.371 -0.882 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)[C@@H]3C[NH2+]CCN3)CC2)c1 ZINC001160603289 815643644 /nfs/dbraw/zinc/64/36/44/815643644.db2.gz UYGCHQZXKIDHHP-ZDUSSCGKSA-N 2 1 289.383 -0.400 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)C[C@@H](O)C[NH3+])CC2)c1 ZINC001160601725 815644275 /nfs/dbraw/zinc/64/42/75/815644275.db2.gz BCRSQGYIRVAFCZ-GFCCVEGCSA-N 2 1 278.356 -0.252 20 0 CBADMP C[C@H]([NH3+])c1ncc(C(=O)N2CCO[C@@H](C[NH3+])C2)s1 ZINC001160645595 815650811 /nfs/dbraw/zinc/65/08/11/815650811.db2.gz QFDMSWRNPJHBHA-YUMQZZPRSA-N 2 1 270.358 -0.038 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1[C@H]2COC[C@@H]1CC(=O)C2 ZINC001160661820 815654344 /nfs/dbraw/zinc/65/43/44/815654344.db2.gz RPLHFLJGILYSPF-TXEJJXNPSA-N 2 1 281.356 -0.713 20 0 CBADMP CC1(N2CCOCC2)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001160669498 815655732 /nfs/dbraw/zinc/65/57/32/815655732.db2.gz GOSCWINLFTXNOX-ZDUSSCGKSA-N 2 1 298.431 -0.234 20 0 CBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160705125 815661702 /nfs/dbraw/zinc/66/17/02/815661702.db2.gz RJJUIOOCZKACPW-FMSGJZPZSA-N 2 1 296.415 -0.504 20 0 CBADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160705337 815661779 /nfs/dbraw/zinc/66/17/79/815661779.db2.gz VOKYFQRMIFTIAO-XQQFMLRXSA-N 3 1 268.405 -0.277 20 0 CBADMP O=C(N1CCN2CCC1CC2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160726455 815665412 /nfs/dbraw/zinc/66/54/12/815665412.db2.gz NPJRWRSVFSBEHB-IUODEOHRSA-N 2 1 278.400 -0.508 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001160766899 815670551 /nfs/dbraw/zinc/67/05/51/815670551.db2.gz YPFGFHYKLXBPAH-DKXJUACHSA-N 2 1 267.251 -0.407 20 0 CBADMP CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160823471 815675272 /nfs/dbraw/zinc/67/52/72/815675272.db2.gz GRHREDFANNLWAO-GXSJLCMTSA-N 2 1 295.343 -0.925 20 0 CBADMP CC(C)OC1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001161010070 815694804 /nfs/dbraw/zinc/69/48/04/815694804.db2.gz GFIIGDLJQXZENC-UHFFFAOYSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001161016420 815696130 /nfs/dbraw/zinc/69/61/30/815696130.db2.gz ZLYXLXSKMBRVGO-CHWSQXEVSA-N 3 1 296.415 -0.741 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CN(C)CC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001161016420 815696133 /nfs/dbraw/zinc/69/61/33/815696133.db2.gz ZLYXLXSKMBRVGO-CHWSQXEVSA-N 2 1 296.415 -0.741 20 0 CBADMP CN(C)c1cc[nH+]c(NCCN2CC[NH2+]CC2=O)c1 ZINC001161018968 815696329 /nfs/dbraw/zinc/69/63/29/815696329.db2.gz HLIFHFMYBCOLHD-UHFFFAOYSA-N 2 1 263.345 -0.009 20 0 CBADMP O=C1C[NH2+]CCN1CCNc1ncnc2c1CC[NH2+]CC2 ZINC001161019305 815698370 /nfs/dbraw/zinc/69/83/70/815698370.db2.gz MXZYYWUKQRYFAE-UHFFFAOYSA-N 2 1 290.371 -0.992 20 0 CBADMP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161040480 815702191 /nfs/dbraw/zinc/70/21/91/815702191.db2.gz AMWMVFCGWMZLOR-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001161049930 815703831 /nfs/dbraw/zinc/70/38/31/815703831.db2.gz JUYDOTRVYHJAOW-NEPJUHHUSA-N 3 1 288.461 -0.053 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001161043001 815704295 /nfs/dbraw/zinc/70/42/95/815704295.db2.gz WCRLKHLCYNRKHT-JTQLQIEISA-N 2 1 256.350 -0.948 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161050387 815704845 /nfs/dbraw/zinc/70/48/45/815704845.db2.gz MPPAZXNWTHQBDG-OLZOCXBDSA-N 2 1 296.415 -0.742 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)C1 ZINC001161051127 815705448 /nfs/dbraw/zinc/70/54/48/815705448.db2.gz SQPUROZGSOWXGK-WOPDTQHZSA-N 2 1 254.378 -0.383 20 0 CBADMP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)C1 ZINC001161051127 815705451 /nfs/dbraw/zinc/70/54/51/815705451.db2.gz SQPUROZGSOWXGK-WOPDTQHZSA-N 2 1 254.378 -0.383 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)C1 ZINC001161051127 815705458 /nfs/dbraw/zinc/70/54/58/815705458.db2.gz SQPUROZGSOWXGK-WOPDTQHZSA-N 2 1 254.378 -0.383 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001161050498 815705669 /nfs/dbraw/zinc/70/56/69/815705669.db2.gz NRWPQQMWJMAABX-VXGBXAGGSA-N 2 1 299.419 -0.297 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)C1 ZINC001161051397 815706089 /nfs/dbraw/zinc/70/60/89/815706089.db2.gz VAMGEVYTPADCQF-SRVKXCTJSA-N 2 1 254.378 -0.526 20 0 CBADMP CN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001161052923 815706306 /nfs/dbraw/zinc/70/63/06/815706306.db2.gz PFTIFLQRUNCOKZ-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CN(C(=O)C[NH2+]C1CC[NH2+]CC1)C1(C)CC[NH2+]CC1 ZINC001161068946 815707580 /nfs/dbraw/zinc/70/75/80/815707580.db2.gz YPIWSVUZBWJHJD-UHFFFAOYSA-N 3 1 268.405 -0.072 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)C[C@@H]21 ZINC001161081637 815709319 /nfs/dbraw/zinc/70/93/19/815709319.db2.gz LDKYGKXGRXBHBC-RDBSUJKOSA-N 3 1 280.416 -0.134 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C[C@@H]21 ZINC001161081016 815709362 /nfs/dbraw/zinc/70/93/62/815709362.db2.gz CEFSPSSNKWBEOE-NTASLKFISA-N 2 1 278.400 -0.239 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@@H]21 ZINC001161081680 815709952 /nfs/dbraw/zinc/70/99/52/815709952.db2.gz LRLNPTDFAHBQJE-AGIUHOORSA-N 3 1 278.400 -0.652 20 0 CBADMP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001161084010 815711354 /nfs/dbraw/zinc/71/13/54/815711354.db2.gz VYGYDYSEVUABPP-KWCYVHTRSA-N 2 1 291.399 -0.158 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@@H]21 ZINC001161081883 815711740 /nfs/dbraw/zinc/71/17/40/815711740.db2.gz MHOPJWZWXQOMBP-QCNOEVLYSA-N 2 1 253.346 -0.738 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@@H]21 ZINC001161083191 815712035 /nfs/dbraw/zinc/71/20/35/815712035.db2.gz RCKZHNCCSYYEPG-UTUOFQBUSA-N 3 1 254.378 -0.395 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161088514 815713407 /nfs/dbraw/zinc/71/34/07/815713407.db2.gz BHDCTFUOJNJEHM-GFCCVEGCSA-N 2 1 296.415 -0.050 20 0 CBADMP CC(C)(O)CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001161174748 815724899 /nfs/dbraw/zinc/72/48/99/815724899.db2.gz DTPMRLDLWZMINV-LBPRGKRZSA-N 3 1 286.420 -0.642 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@H]2C1 ZINC001161175236 815725230 /nfs/dbraw/zinc/72/52/30/815725230.db2.gz JFRSNMVFWDEYLS-RNJOBUHISA-N 2 1 266.389 -0.667 20 0 CBADMP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH2+]3)C[C@@H]2C1 ZINC001161176291 815726342 /nfs/dbraw/zinc/72/63/42/815726342.db2.gz SJEAZIAOGLRRAJ-AVGNSLFASA-N 2 1 267.373 -0.225 20 0 CBADMP N[C@@H]1C[C@]2(C(=O)N3CC[C@](F)(C[NH3+])C3)CC[C@H]1[NH2+]2 ZINC001161239891 815734565 /nfs/dbraw/zinc/73/45/65/815734565.db2.gz SZAHVDWPRQHGFY-LSKIRQOJSA-N 2 1 256.325 -0.893 20 0 CBADMP CCN(C(=O)C[N@H+]1CC[C@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC001161338336 815744497 /nfs/dbraw/zinc/74/44/97/815744497.db2.gz DWSPZGCUUZTECL-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP CCN(C(=O)c1nnn2c1C[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001161345997 815746408 /nfs/dbraw/zinc/74/64/08/815746408.db2.gz HVAFRUCQHXRKBT-JTQLQIEISA-N 2 1 278.360 -0.405 20 0 CBADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[NH2+]C[C@H]3F)C2)CC1 ZINC001161376787 815748441 /nfs/dbraw/zinc/74/84/41/815748441.db2.gz DFFHKRJFESULHD-HZSPNIEDSA-N 3 1 298.406 -0.042 20 0 CBADMP Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)C1 ZINC001161385836 815748849 /nfs/dbraw/zinc/74/88/49/815748849.db2.gz CEQNTRLBUBGXIB-FRRDWIJNSA-N 2 1 291.351 -0.050 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412046 815751414 /nfs/dbraw/zinc/75/14/14/815751414.db2.gz FKLXWOSKLZKZHL-PDEGPIFNSA-N 2 1 263.345 -0.525 20 0 CBADMP N[C@@H]1C[C@]2(C(=O)N3C[C@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC[C@H]1[NH2+]2 ZINC001161412433 815752136 /nfs/dbraw/zinc/75/21/36/815752136.db2.gz KGSFZIPCGGQUNC-MDVDOTDZSA-N 2 1 264.373 -0.596 20 0 CBADMP C[NH+](C)CCN(C(=O)[C@@H]1[NH2+]CCS1)[C@H]1CCC[NH2+]C1 ZINC001161444217 815755641 /nfs/dbraw/zinc/75/56/41/815755641.db2.gz FNXUPDWUSMPDQA-NWDGAFQWSA-N 3 1 286.445 -0.209 20 0 CBADMP C[NH+](C)CCN(C(=O)[C@@H]1COC(C)(C)N1)[C@H]1CCC[NH2+]C1 ZINC001161447213 815755726 /nfs/dbraw/zinc/75/57/26/815755726.db2.gz WGYJWHJARCKPHG-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[NH+](C)CCN(C(=O)[C@@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161444880 815756092 /nfs/dbraw/zinc/75/60/92/815756092.db2.gz LQVANEWELMJOAS-STQMWFEESA-N 3 1 284.404 -0.883 20 0 CBADMP CO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)CCN2)C[C@@H]1[NH3+] ZINC001161493073 815761464 /nfs/dbraw/zinc/76/14/64/815761464.db2.gz BJAXLNSKGQKBBG-SDDRHHMPSA-N 2 1 284.404 -0.757 20 0 CBADMP CN1CC2(C1)CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001161532115 815767529 /nfs/dbraw/zinc/76/75/29/815767529.db2.gz NKQBGSQPWKFASB-NSHDSACASA-N 2 1 252.362 -0.913 20 0 CBADMP [NH3+][C@H](C(=O)N1CCNC2(CC2)C1)C1CC[NH2+]CC1 ZINC001161551036 815771962 /nfs/dbraw/zinc/77/19/62/815771962.db2.gz ZAGSOLSJQXLKNX-NSHDSACASA-N 2 1 252.362 -0.722 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001161551983 815772304 /nfs/dbraw/zinc/77/23/04/815772304.db2.gz NPMPBLFNSFUSES-VIFPVBQESA-N 2 1 297.359 -0.681 20 0 CBADMP C[NH+](C)CCOCC(=O)NCCC1=CC[N@@H+](CCO)CC1 ZINC001161699287 815779651 /nfs/dbraw/zinc/77/96/51/815779651.db2.gz RBMZDJIIDZBTGL-UHFFFAOYSA-N 2 1 299.415 -0.305 20 0 CBADMP O=C1C[C@H](CNc2nc(N3CC[NH2+]CC3)cc[nH+]2)CCN1 ZINC001162325414 815815149 /nfs/dbraw/zinc/81/51/49/815815149.db2.gz ZJERHHHDJZRRPE-LLVKDONJSA-N 2 1 290.371 -0.176 20 0 CBADMP O=S1(=O)CC[C@H](Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC001162490390 815831613 /nfs/dbraw/zinc/83/16/13/815831613.db2.gz LAMCTVXSBXHLED-JTQLQIEISA-N 2 1 297.384 -0.515 20 0 CBADMP CCCNC(=O)C[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162606543 815836797 /nfs/dbraw/zinc/83/67/97/815836797.db2.gz RPVAJIIOKRQBPN-UHFFFAOYSA-N 2 1 295.387 -0.186 20 0 CBADMP CC[C@@H]([NH2+]CCCNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001162611029 815836860 /nfs/dbraw/zinc/83/68/60/815836860.db2.gz DSSBVDXRXIXPJS-LLVKDONJSA-N 2 1 281.360 -0.449 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]CCOCCO ZINC001162606619 815837909 /nfs/dbraw/zinc/83/79/09/815837909.db2.gz SXYNQHGMOVWBOY-UHFFFAOYSA-N 2 1 284.360 -0.704 20 0 CBADMP CN1CCO[C@@H](CNc2nc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC001162680608 815839540 /nfs/dbraw/zinc/83/95/40/815839540.db2.gz MTBCCMYICCRBNZ-LBPRGKRZSA-N 2 1 292.387 -0.371 20 0 CBADMP CN1CCO[C@H](CNc2nc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC001162680607 815839777 /nfs/dbraw/zinc/83/97/77/815839777.db2.gz MTBCCMYICCRBNZ-GFCCVEGCSA-N 2 1 292.387 -0.371 20 0 CBADMP CN(C)c1nc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc[nH+]1 ZINC001163234720 815866477 /nfs/dbraw/zinc/86/64/77/815866477.db2.gz BLVLTLJPPJDMPL-UFBFGSQYSA-N 2 1 262.317 -0.467 20 0 CBADMP Cc1[nH+]ccn1-c1cncc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001163240436 815871393 /nfs/dbraw/zinc/87/13/93/815871393.db2.gz KFDOQXHFSSAGFR-YGRLFVJLSA-N 2 1 299.338 -0.039 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001292766312 816484061 /nfs/dbraw/zinc/48/40/61/816484061.db2.gz FYKPNXROTLPYEP-LBPRGKRZSA-N 2 1 294.399 -0.734 20 0 CBADMP CC[NH+](CC)CC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001293334802 816515898 /nfs/dbraw/zinc/51/58/98/816515898.db2.gz YKTABUFOWVIQHM-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[NH+](CC)CC(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001293334803 816516093 /nfs/dbraw/zinc/51/60/93/816516093.db2.gz YKTABUFOWVIQHM-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001190891157 823858019 /nfs/dbraw/zinc/85/80/19/823858019.db2.gz YQVFVGMBGIQCQI-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP C[N@@H+](CCCC[NH2+]Cc1cn(CC(N)=O)nn1)C1CC1 ZINC001308428000 816824932 /nfs/dbraw/zinc/82/49/32/816824932.db2.gz QXHKCHFCQZRTOA-UHFFFAOYSA-N 2 1 280.376 -0.273 20 0 CBADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC001308773176 816827295 /nfs/dbraw/zinc/82/72/95/816827295.db2.gz BXAKVXQRFNZZBM-TXEJJXNPSA-N 2 1 265.357 -0.077 20 0 CBADMP C[NH+](C)CCC(=O)NCCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001316846308 816891132 /nfs/dbraw/zinc/89/11/32/816891132.db2.gz YFTDRDARFARUJS-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317105851 816932700 /nfs/dbraw/zinc/93/27/00/816932700.db2.gz WKVBAICFYFMSSM-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCO)C1 ZINC001317200145 816940507 /nfs/dbraw/zinc/94/05/07/816940507.db2.gz OVAVFJIWLXWVGQ-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001317377541 816969265 /nfs/dbraw/zinc/96/92/65/816969265.db2.gz DDZKRXCVZQLEFF-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CCO ZINC001317407954 816973836 /nfs/dbraw/zinc/97/38/36/816973836.db2.gz ZUTXBIZZPSODCL-NEPJUHHUSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317450796 816984005 /nfs/dbraw/zinc/98/40/05/816984005.db2.gz IMDXKGUETYEZTB-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317450796 816984009 /nfs/dbraw/zinc/98/40/09/816984009.db2.gz IMDXKGUETYEZTB-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001317450796 816984013 /nfs/dbraw/zinc/98/40/13/816984013.db2.gz IMDXKGUETYEZTB-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CN(CC[NH2+]CC[C@H]1CCCO1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001317578275 817019898 /nfs/dbraw/zinc/01/98/98/817019898.db2.gz JLCLWKSSVVZXDG-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CN(CC[NH2+]CC[C@H]1CCCO1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001317578275 817019905 /nfs/dbraw/zinc/01/99/05/817019905.db2.gz JLCLWKSSVVZXDG-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317588154 817024443 /nfs/dbraw/zinc/02/44/43/817024443.db2.gz CPIVVQILPFPACR-JHJVBQTASA-N 2 1 287.404 -0.618 20 0 CBADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[NH2+]CC(N)=O ZINC001317588441 817024756 /nfs/dbraw/zinc/02/47/56/817024756.db2.gz HSCIFOPEOPJREO-LLVKDONJSA-N 2 1 295.387 -0.070 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC2C[NH+](CCO)C2)C1 ZINC001318154355 817082805 /nfs/dbraw/zinc/08/28/05/817082805.db2.gz GUWQZKSVPZIRQJ-NSHDSACASA-N 2 1 255.362 -0.632 20 0 CBADMP CN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@@H+](CCO)C1 ZINC001318424051 817108361 /nfs/dbraw/zinc/10/83/61/817108361.db2.gz IANXIHQWKNXAKA-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP CCOCC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001318510496 817116591 /nfs/dbraw/zinc/11/65/91/817116591.db2.gz AOZYADGRZSHISV-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001318510496 817116596 /nfs/dbraw/zinc/11/65/96/817116596.db2.gz AOZYADGRZSHISV-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CCO ZINC001318595935 817126137 /nfs/dbraw/zinc/12/61/37/817126137.db2.gz RLMUIHSWARWAIM-VXGBXAGGSA-N 2 1 257.378 -0.195 20 0 CBADMP CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CCO ZINC001318595933 817126235 /nfs/dbraw/zinc/12/62/35/817126235.db2.gz RLMUIHSWARWAIM-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@H]1C[C@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001318845917 817143085 /nfs/dbraw/zinc/14/30/85/817143085.db2.gz VVKWTNTXAPRNJH-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H]1C[C@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@H+]1C ZINC001318845917 817143088 /nfs/dbraw/zinc/14/30/88/817143088.db2.gz VVKWTNTXAPRNJH-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001318857225 817144544 /nfs/dbraw/zinc/14/45/44/817144544.db2.gz CKXILXUDOFXPIE-CYBMUJFWSA-N 2 1 268.405 -0.310 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)C[NH2+]C[C@H](C)O ZINC001319218249 817177346 /nfs/dbraw/zinc/17/73/46/817177346.db2.gz PIBNFJPECFHODN-PWSUYJOCSA-N 2 1 268.361 -0.086 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC1CCC1 ZINC001320199355 817289052 /nfs/dbraw/zinc/28/90/52/817289052.db2.gz BMYSPEXWDJQMJX-CHWSQXEVSA-N 2 1 269.389 -0.053 20 0 CBADMP CC(C)OCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001320255965 817305784 /nfs/dbraw/zinc/30/57/84/817305784.db2.gz CCFFOAVNCISUNL-CHWSQXEVSA-N 2 1 287.404 -0.428 20 0 CBADMP C[C@H](CC[NH2+]CC(N)=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001320550981 817354453 /nfs/dbraw/zinc/35/44/53/817354453.db2.gz YREVUFCEYBBIRA-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP CCN(CC[NH2+]CCO)C(=O)c1cc(C[NH+](C)C)on1 ZINC001320776747 817391080 /nfs/dbraw/zinc/39/10/80/817391080.db2.gz BFDJRKDKWYONGY-UHFFFAOYSA-N 2 1 284.360 -0.220 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001320921535 817410959 /nfs/dbraw/zinc/41/09/59/817410959.db2.gz MYHXLYYLSHXWDG-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CC(=O)NC)C1 ZINC001191019634 823869072 /nfs/dbraw/zinc/86/90/72/823869072.db2.gz PGGVWEPSRJDFGN-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC)C1 ZINC001191019634 823869075 /nfs/dbraw/zinc/86/90/75/823869075.db2.gz PGGVWEPSRJDFGN-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC)C1 ZINC001191019634 823869080 /nfs/dbraw/zinc/86/90/80/823869080.db2.gz PGGVWEPSRJDFGN-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC001191029518 823869572 /nfs/dbraw/zinc/86/95/72/823869572.db2.gz JYCYZHBRZSKICO-NSHDSACASA-N 2 1 284.404 -0.265 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC001191029518 823869577 /nfs/dbraw/zinc/86/95/77/823869577.db2.gz JYCYZHBRZSKICO-NSHDSACASA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001191029518 823869583 /nfs/dbraw/zinc/86/95/83/823869583.db2.gz JYCYZHBRZSKICO-NSHDSACASA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001191029518 823869587 /nfs/dbraw/zinc/86/95/87/823869587.db2.gz JYCYZHBRZSKICO-NSHDSACASA-N 2 1 284.404 -0.265 20 0 CBADMP COCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001321393694 817494384 /nfs/dbraw/zinc/49/43/84/817494384.db2.gz UJTJGDCEFMKREE-VSQXVHSFSA-N 2 1 255.362 -0.154 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H](C)C(N)=O ZINC001321418826 817496622 /nfs/dbraw/zinc/49/66/22/817496622.db2.gz JVEWGQKLGVUQOS-FBVTZJDUSA-N 2 1 296.415 -0.003 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188964211 823727069 /nfs/dbraw/zinc/72/70/69/823727069.db2.gz ZVYCJQJVEGYORD-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188964211 823727081 /nfs/dbraw/zinc/72/70/81/823727081.db2.gz ZVYCJQJVEGYORD-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP CN1CCO[C@H](C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253405719 825914191 /nfs/dbraw/zinc/91/41/91/825914191.db2.gz LWURSUDMEXOFLT-NWDGAFQWSA-N 2 1 259.394 -0.344 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CC(N)=O)C1 ZINC001269186729 827472340 /nfs/dbraw/zinc/47/23/40/827472340.db2.gz FKYTWWGHLYBXKP-SNVBAGLBSA-N 2 1 256.350 -0.996 20 0 CBADMP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001163820213 819853715 /nfs/dbraw/zinc/85/37/15/819853715.db2.gz DTIQKBICNQEWBI-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP Cc1[nH+]ccn1-c1cncc(N(CC[NH3+])CCO)n1 ZINC001163829936 819855847 /nfs/dbraw/zinc/85/58/47/819855847.db2.gz KDTREKSWCJVTKR-UHFFFAOYSA-N 2 1 262.317 -0.272 20 0 CBADMP C[C@@H](O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163941010 819870778 /nfs/dbraw/zinc/87/07/78/819870778.db2.gz VUBXNXDQJNACHW-CHWSQXEVSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H](O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163941010 819870786 /nfs/dbraw/zinc/87/07/86/819870786.db2.gz VUBXNXDQJNACHW-CHWSQXEVSA-N 2 1 299.415 -0.426 20 0 CBADMP C[NH+]1CCN(c2ncc(N3CC[C@@H]([NH3+])C3)cn2)CC1 ZINC001164282009 819896624 /nfs/dbraw/zinc/89/66/24/819896624.db2.gz RSTQBZZQAXHLBQ-LLVKDONJSA-N 2 1 262.361 -0.234 20 0 CBADMP C[NH+]1CCN(c2nccnc2N2CC[C@@H]([NH3+])C2)CC1 ZINC001164281246 819897162 /nfs/dbraw/zinc/89/71/62/819897162.db2.gz WJGUGUSIDNZQOU-LLVKDONJSA-N 2 1 262.361 -0.234 20 0 CBADMP C[NH+]1CCN(c2ncc(N3CC[C@H]([NH3+])C3)cn2)CC1 ZINC001164282011 819897382 /nfs/dbraw/zinc/89/73/82/819897382.db2.gz RSTQBZZQAXHLBQ-NSHDSACASA-N 2 1 262.361 -0.234 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164535733 819923081 /nfs/dbraw/zinc/92/30/81/819923081.db2.gz CROJHIHOGVRIEZ-ZDUSSCGKSA-N 2 1 287.404 -0.162 20 0 CBADMP C[NH+]1CCN(c2nccc(N3C[C@@H](F)[C@@H]([NH3+])C3)n2)CC1 ZINC001165118256 819939631 /nfs/dbraw/zinc/93/96/31/819939631.db2.gz RURLFHOUOIDGQS-MNOVXSKESA-N 2 1 280.351 -0.286 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCC[NH2+]CCO)CC2 ZINC001165272121 819945725 /nfs/dbraw/zinc/94/57/25/819945725.db2.gz QWJWDGDQFZGCNO-GFCCVEGCSA-N 2 1 280.372 -0.158 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCC[NH2+]CC(N)=O)CC2 ZINC001165270152 819946218 /nfs/dbraw/zinc/94/62/18/819946218.db2.gz CXUWCXPXXIEOCB-LLVKDONJSA-N 2 1 293.371 -0.665 20 0 CBADMP CN(C)c1noc(C[NH2+]CCCNC(=O)CC[NH+](C)C)n1 ZINC001165793830 819983503 /nfs/dbraw/zinc/98/35/03/819983503.db2.gz BWDAVBCPOPLJEX-UHFFFAOYSA-N 2 1 298.391 -0.317 20 0 CBADMP COCc1noc(C[NH2+]CCCNC(=O)CC[NH+](C)C)n1 ZINC001165793861 819983617 /nfs/dbraw/zinc/98/36/17/819983617.db2.gz DOZSIHOSTVNPJX-UHFFFAOYSA-N 2 1 299.375 -0.236 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001166201951 819995594 /nfs/dbraw/zinc/99/55/94/819995594.db2.gz BDHWTFJNQVSZKY-UHFFFAOYSA-N 2 1 293.371 -0.447 20 0 CBADMP C[NH+]1CCN(c2ncc(-n3ccnc3CC[NH3+])cn2)CC1 ZINC001166351235 819998535 /nfs/dbraw/zinc/99/85/35/819998535.db2.gz JFLBMRNCZPMEBA-UHFFFAOYSA-N 2 1 287.371 -0.085 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001166626463 820008431 /nfs/dbraw/zinc/00/84/31/820008431.db2.gz GTVUJBJUUCRWRR-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166627634 820008601 /nfs/dbraw/zinc/00/86/01/820008601.db2.gz XXQVGEVQOIZEBW-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C)C(N)=O ZINC001166626162 820008862 /nfs/dbraw/zinc/00/88/62/820008862.db2.gz BVDLXVPFDQPSND-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CCOCCO ZINC001166627059 820009433 /nfs/dbraw/zinc/00/94/33/820009433.db2.gz OWRKYVVBXZKQCA-ZDUSSCGKSA-N 2 1 287.404 -0.425 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001166633615 820010515 /nfs/dbraw/zinc/01/05/15/820010515.db2.gz IRIROAUXKJOVBP-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001166627460 820010548 /nfs/dbraw/zinc/01/05/48/820010548.db2.gz WBLRTPNJDPSHSD-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[C@@H]([NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C)C(N)=O ZINC001166626640 820011044 /nfs/dbraw/zinc/01/10/44/820011044.db2.gz IIHLMDGGQTZEEQ-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP CN1CC[C@H](Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)C1=O ZINC001166648016 820012140 /nfs/dbraw/zinc/01/21/40/820012140.db2.gz VHNWQNLNKDVYHX-JTQLQIEISA-N 2 1 276.344 -0.471 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001166668247 820012555 /nfs/dbraw/zinc/01/25/55/820012555.db2.gz WUYYAYAWYMBJOT-NEPJUHHUSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2nnnn2C)C1 ZINC001166668097 820012833 /nfs/dbraw/zinc/01/28/33/820012833.db2.gz QNKYBRDEFWKHRS-LLVKDONJSA-N 2 1 295.391 -0.852 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(N)=O ZINC001166676645 820013445 /nfs/dbraw/zinc/01/34/45/820013445.db2.gz AJUDTIDPJQPVPF-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP CC[C@H]([NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C(N)=O ZINC001166678514 820016922 /nfs/dbraw/zinc/01/69/22/820016922.db2.gz WAJOAFPCXOWWHH-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001166695114 820017004 /nfs/dbraw/zinc/01/70/04/820017004.db2.gz ZYOYZVAZUVXZLJ-QWHCGFSZSA-N 2 1 287.404 -0.711 20 0 CBADMP NC(=O)[C@H]1CN(c2nccc(C3CC[NH2+]CC3)n2)CC[NH2+]1 ZINC001166725131 820027982 /nfs/dbraw/zinc/02/79/82/820027982.db2.gz JBPZDRQSDFZWSZ-GFCCVEGCSA-N 2 1 290.371 -0.793 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166765122 820034455 /nfs/dbraw/zinc/03/44/55/820034455.db2.gz SJYMNLWVRLNUJN-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166765123 820034566 /nfs/dbraw/zinc/03/45/66/820034566.db2.gz SJYMNLWVRLNUJN-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[N@@H+](CC(=O)NCCC[NH2+]CC(N)=O)CC(C)(C)C ZINC001166744300 820034662 /nfs/dbraw/zinc/03/46/62/820034662.db2.gz PHSQQUKHSZDIOQ-UHFFFAOYSA-N 2 1 272.393 -0.455 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001166765294 820035072 /nfs/dbraw/zinc/03/50/72/820035072.db2.gz WPNGRAYZMLMJJR-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP CCc1cc(N2C[C@@H](O)[C@@H]([NH3+])C2)nc(N2CCOCC2)[nH+]1 ZINC001167092029 820070070 /nfs/dbraw/zinc/07/00/70/820070070.db2.gz HOZGKZANQRBHHT-NWDGAFQWSA-N 2 1 293.371 -0.616 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167236106 820078166 /nfs/dbraw/zinc/07/81/66/820078166.db2.gz HVGLBJMAMZXZBS-NEPJUHHUSA-N 2 1 296.415 -0.455 20 0 CBADMP OC1(CNc2nc(N3CC[NH2+]CC3)cc[nH+]2)CCOCC1 ZINC001167541087 820102391 /nfs/dbraw/zinc/10/23/91/820102391.db2.gz RDCIVIVOJDYJQD-UHFFFAOYSA-N 2 1 293.371 -0.160 20 0 CBADMP C[NH+]1CCN(c2nccnc2-n2ccc(C[NH3+])cc2=N)CC1 ZINC001167693100 820111712 /nfs/dbraw/zinc/11/17/12/820111712.db2.gz XGOJFDOXGQWVOO-UHFFFAOYSA-N 2 1 299.382 -0.043 20 0 CBADMP OCC(CO)(CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965873 820137168 /nfs/dbraw/zinc/13/71/68/820137168.db2.gz OPAVCASMVNTGIY-AGUYFDCRSA-N 2 1 284.400 -0.303 20 0 CBADMP OCC(CO)(CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965873 820137172 /nfs/dbraw/zinc/13/71/72/820137172.db2.gz OPAVCASMVNTGIY-AGUYFDCRSA-N 2 1 284.400 -0.303 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]CCC[NH+](CCO)CCO)CCO1 ZINC001168072429 820143790 /nfs/dbraw/zinc/14/37/90/820143790.db2.gz QMOHZZLHCUMXEJ-OLZOCXBDSA-N 2 1 260.378 -0.180 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]CCC[NH+](CCO)CCO)CCO1 ZINC001168072428 820143849 /nfs/dbraw/zinc/14/38/49/820143849.db2.gz QMOHZZLHCUMXEJ-CHWSQXEVSA-N 2 1 260.378 -0.180 20 0 CBADMP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168135992 820145076 /nfs/dbraw/zinc/14/50/76/820145076.db2.gz DNYOXYSOQGAIQH-LBPRGKRZSA-N 2 1 296.415 -0.440 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCCC[NH2+]C[C@H]1CCOC1 ZINC001168426137 820162154 /nfs/dbraw/zinc/16/21/54/820162154.db2.gz VWAQASOBFFCIFR-CQSZACIVSA-N 2 1 299.415 -0.159 20 0 CBADMP CO[C@H](C)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417306 820162896 /nfs/dbraw/zinc/16/28/96/820162896.db2.gz QLMLVWXHYCGJOG-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP [NH3+]Cc1ncn(-c2ccc(N3CC[NH2+]CC3)nc2)n1 ZINC001168753400 820174806 /nfs/dbraw/zinc/17/48/06/820174806.db2.gz DIEPUKITAPBAMZ-UHFFFAOYSA-N 2 1 259.317 -0.469 20 0 CBADMP [NH3+]Cc1nc(=O)[nH]n1-c1ccnc(N2CCC([NH3+])CC2)n1 ZINC001168756551 820176845 /nfs/dbraw/zinc/17/68/45/820176845.db2.gz QQVURBUANQJWFE-UHFFFAOYSA-N 2 1 290.331 -0.851 20 0 CBADMP C[NH+]1CCN(c2ncc(-n3cc(CC[NH3+])cn3)cn2)CC1 ZINC001168950053 820196236 /nfs/dbraw/zinc/19/62/36/820196236.db2.gz TYWTVRQIBWNZTQ-UHFFFAOYSA-N 2 1 287.371 -0.085 20 0 CBADMP NC(=O)CCNc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001168952338 820196441 /nfs/dbraw/zinc/19/64/41/820196441.db2.gz GHJGPKGKPZZGFZ-UHFFFAOYSA-N 2 1 264.333 -0.309 20 0 CBADMP CC(=O)N1CC[C@@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC001169530215 820251211 /nfs/dbraw/zinc/25/12/11/820251211.db2.gz AUUVQNXMOWCFGX-CQSZACIVSA-N 2 1 268.405 -0.214 20 0 CBADMP CC(=O)N1CCC[C@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)C1 ZINC001169580597 820258511 /nfs/dbraw/zinc/25/85/11/820258511.db2.gz SINMMMSSDVHIJO-NEPJUHHUSA-N 2 1 266.345 -0.071 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001170210681 820280022 /nfs/dbraw/zinc/28/00/22/820280022.db2.gz GMODZXJBJUENMQ-LLVKDONJSA-N 2 1 298.387 -0.771 20 0 CBADMP CCCNC(=O)C[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170210513 820280115 /nfs/dbraw/zinc/28/01/15/820280115.db2.gz BJAFWTAFRJJDGY-UHFFFAOYSA-N 2 1 286.420 -0.050 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001170212438 820281583 /nfs/dbraw/zinc/28/15/83/820281583.db2.gz YOWVFHPGPFDUCN-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001170212460 820281814 /nfs/dbraw/zinc/28/18/14/820281814.db2.gz ZPKSPKXSIBFVDO-SNVBAGLBSA-N 2 1 258.366 -0.702 20 0 CBADMP Cc1[nH+]ccn1-c1ccc(N[C@@H]2C[NH2+]C[C@H]2CO)nn1 ZINC001170779785 820321664 /nfs/dbraw/zinc/32/16/64/820321664.db2.gz QXHRRBGCEJUFHI-WDEREUQCSA-N 2 1 274.328 -0.037 20 0 CBADMP C[NH+]1CCN(c2nccnc2N[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001170898269 820332423 /nfs/dbraw/zinc/33/24/23/820332423.db2.gz ROGANJKOOYXOKV-LLVKDONJSA-N 3 1 279.392 -0.336 20 0 CBADMP COc1c(N[C@H](N)CCC[NH3+])ncnc1C1C[NH2+]C1 ZINC001170900731 820335416 /nfs/dbraw/zinc/33/54/16/820335416.db2.gz XPWBYYVCNYFQLL-VIFPVBQESA-N 2 1 266.349 -0.392 20 0 CBADMP C[NH+]1CCN(c2ncc(N[C@@H]([NH3+])CCC[NH3+])cn2)CC1 ZINC001170900908 820335615 /nfs/dbraw/zinc/33/56/15/820335615.db2.gz ZLLKEQATNVFWIQ-GFCCVEGCSA-N 3 1 279.392 -0.336 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001171228129 820350406 /nfs/dbraw/zinc/35/04/06/820350406.db2.gz SDDBKGCAAFYHAU-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP Cn1nncc1C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171216364 820350842 /nfs/dbraw/zinc/35/08/42/820350842.db2.gz HFSCLEJTCJDAQW-GFCCVEGCSA-N 2 1 294.403 -0.247 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171215360 820350987 /nfs/dbraw/zinc/35/09/87/820350987.db2.gz AZHUFWPTQZJOFV-NSHDSACASA-N 2 1 270.377 -0.830 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CCn2cncn2)C1 ZINC001171225838 820351774 /nfs/dbraw/zinc/35/17/74/820351774.db2.gz AERDAPOKCWTAOM-CYBMUJFWSA-N 2 1 294.403 -0.284 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001171226948 820351823 /nfs/dbraw/zinc/35/18/23/820351823.db2.gz KVHMJIQBAGCVBS-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP Cn1ncnc1C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171219200 820352236 /nfs/dbraw/zinc/35/22/36/820352236.db2.gz VJWPXZMPFHVFOG-LBPRGKRZSA-N 2 1 294.403 -0.247 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001171216362 820352504 /nfs/dbraw/zinc/35/25/04/820352504.db2.gz HDCZGNQHQLNYIW-STQMWFEESA-N 2 1 296.415 -0.297 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@H](CC)C(N)=O ZINC001171763188 820369715 /nfs/dbraw/zinc/36/97/15/820369715.db2.gz UWCODDQAIUCNNE-LLVKDONJSA-N 2 1 272.393 -0.312 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001171756973 820370094 /nfs/dbraw/zinc/37/00/94/820370094.db2.gz CWHHNKKSIWGFAH-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(=O)NCC(N)=O)C2 ZINC001172108758 820381813 /nfs/dbraw/zinc/38/18/13/820381813.db2.gz DRNWDWRKWYEZGF-JGPRNRPPSA-N 2 1 268.361 -0.807 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(=O)NCC(N)=O)C2 ZINC001172108758 820381821 /nfs/dbraw/zinc/38/18/21/820381821.db2.gz DRNWDWRKWYEZGF-JGPRNRPPSA-N 2 1 268.361 -0.807 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(CO)(CO)CO)C2 ZINC001172108147 820381912 /nfs/dbraw/zinc/38/19/12/820381912.db2.gz QHBIXHPHFJCHCO-CNDDSTCGSA-N 2 1 258.362 -0.693 20 0 CBADMP COCCC[NH+]1CCC([N@@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC001172246745 820393653 /nfs/dbraw/zinc/39/36/53/820393653.db2.gz SGOLYQQHFDZVEP-ZIAGYGMSSA-N 2 1 272.389 -0.085 20 0 CBADMP COCCC[NH+]1CCC([N@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC001172246745 820393661 /nfs/dbraw/zinc/39/36/61/820393661.db2.gz SGOLYQQHFDZVEP-ZIAGYGMSSA-N 2 1 272.389 -0.085 20 0 CBADMP CC[N@H+]1CC[C@@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)C1 ZINC001173356293 820403004 /nfs/dbraw/zinc/40/30/04/820403004.db2.gz GHTYZIQASRGQKC-MNOVXSKESA-N 2 1 251.334 -0.495 20 0 CBADMP [NH3+]CC[N@H+](CCO)[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173732390 820409410 /nfs/dbraw/zinc/40/94/10/820409410.db2.gz ZIOOBPKNSSJTEZ-QWRGUYRKSA-N 2 1 254.338 -0.590 20 0 CBADMP [NH3+]CC[N@@H+](CCO)[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173732390 820409413 /nfs/dbraw/zinc/40/94/13/820409413.db2.gz ZIOOBPKNSSJTEZ-QWRGUYRKSA-N 2 1 254.338 -0.590 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001176058437 820437637 /nfs/dbraw/zinc/43/76/37/820437637.db2.gz XJWPWPMWRPGXSA-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP Cn1nncc1C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072593 820438466 /nfs/dbraw/zinc/43/84/66/820438466.db2.gz ZPOJEXRVTKRDGN-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP Cn1cnnc1C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176070955 820438565 /nfs/dbraw/zinc/43/85/65/820438565.db2.gz AJPMSEQGXGLIHL-NSHDSACASA-N 2 1 280.376 -0.637 20 0 CBADMP Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001176071600 820438803 /nfs/dbraw/zinc/43/88/03/820438803.db2.gz GQCFXCDKZPOYJW-CYBMUJFWSA-N 2 1 279.388 -0.032 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176095473 820440609 /nfs/dbraw/zinc/44/06/09/820440609.db2.gz COKDKPHZMSZJMB-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001176635644 820453581 /nfs/dbraw/zinc/45/35/81/820453581.db2.gz DPBUFVDDZFEYAF-KBPBESRZSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001176635644 820453584 /nfs/dbraw/zinc/45/35/84/820453584.db2.gz DPBUFVDDZFEYAF-KBPBESRZSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCCO)C1 ZINC001176637094 820454724 /nfs/dbraw/zinc/45/47/24/820454724.db2.gz XNTFITZIRCRTEY-GFCCVEGCSA-N 2 1 273.377 -0.815 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCCO)C1 ZINC001176637094 820454727 /nfs/dbraw/zinc/45/47/27/820454727.db2.gz XNTFITZIRCRTEY-GFCCVEGCSA-N 2 1 273.377 -0.815 20 0 CBADMP CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176636240 820454897 /nfs/dbraw/zinc/45/48/97/820454897.db2.gz MLMBPUCGMRTVHU-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176636240 820454899 /nfs/dbraw/zinc/45/48/99/820454899.db2.gz MLMBPUCGMRTVHU-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001176980878 820484595 /nfs/dbraw/zinc/48/45/95/820484595.db2.gz UTTNAKIYQSDZEZ-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001176971798 820484969 /nfs/dbraw/zinc/48/49/69/820484969.db2.gz IKWWIHWMIRYAFE-LLVKDONJSA-N 2 1 298.387 -0.772 20 0 CBADMP C[N@@H+]1CC[C@@H](CNC(=O)CN2CC[NH+](C)CC2)C1 ZINC001178956423 820612688 /nfs/dbraw/zinc/61/26/88/820612688.db2.gz RYZCWBQKXYUZPU-LBPRGKRZSA-N 2 1 254.378 -0.698 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)CN2CC[NH+](C)CC2)C1 ZINC001178956423 820612694 /nfs/dbraw/zinc/61/26/94/820612694.db2.gz RYZCWBQKXYUZPU-LBPRGKRZSA-N 2 1 254.378 -0.698 20 0 CBADMP C[C@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)CC[NH+](C)C ZINC001179472136 820630454 /nfs/dbraw/zinc/63/04/54/820630454.db2.gz HGDILVJTUYPLHY-RYUDHWBXSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)[C@@H]1C ZINC001179861185 820643723 /nfs/dbraw/zinc/64/37/23/820643723.db2.gz OWMDCJCQDHNSJC-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+]1CCN(CC(=O)N2CC[N@H+]3CC[C@H]3C2)CC1 ZINC001180346724 820670768 /nfs/dbraw/zinc/67/07/68/820670768.db2.gz LIWRIQMILITCLO-AWEZNQCLSA-N 2 1 280.416 -0.071 20 0 CBADMP CC(C)[NH+]1CCN(CC(=O)N2CC[N@H+]3CC[C@@H]3C2)CC1 ZINC001180346725 820671251 /nfs/dbraw/zinc/67/12/51/820671251.db2.gz LIWRIQMILITCLO-CQSZACIVSA-N 2 1 280.416 -0.071 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001180612536 820699427 /nfs/dbraw/zinc/69/94/27/820699427.db2.gz XZCUTKBOHQUYBG-LBPRGKRZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)C1 ZINC001180759780 820717655 /nfs/dbraw/zinc/71/76/55/820717655.db2.gz QTYQAVNSUIWRJK-KBPBESRZSA-N 2 1 297.399 -0.360 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)C1 ZINC001180759780 820717660 /nfs/dbraw/zinc/71/76/60/820717660.db2.gz QTYQAVNSUIWRJK-KBPBESRZSA-N 2 1 297.399 -0.360 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001180764459 820724998 /nfs/dbraw/zinc/72/49/98/820724998.db2.gz YEGFUZBBQWRXOK-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001180764459 820725002 /nfs/dbraw/zinc/72/50/02/820725002.db2.gz YEGFUZBBQWRXOK-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180764459 820725007 /nfs/dbraw/zinc/72/50/07/820725007.db2.gz YEGFUZBBQWRXOK-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180764459 820725011 /nfs/dbraw/zinc/72/50/11/820725011.db2.gz YEGFUZBBQWRXOK-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001180899475 820739803 /nfs/dbraw/zinc/73/98/03/820739803.db2.gz MGAPCWLYXKDDIS-TYNCELHUSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001181651729 820806810 /nfs/dbraw/zinc/80/68/10/820806810.db2.gz FXQJTZSTQLKTCT-OLZOCXBDSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001181672801 820810356 /nfs/dbraw/zinc/81/03/56/820810356.db2.gz CKVONDQZHNYHPD-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181822178 820833698 /nfs/dbraw/zinc/83/36/98/820833698.db2.gz POGYQJWUGSWRKQ-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181822178 820833703 /nfs/dbraw/zinc/83/37/03/820833703.db2.gz POGYQJWUGSWRKQ-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CCCCC[N@H+](C)CCC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001181868302 820836586 /nfs/dbraw/zinc/83/65/86/820836586.db2.gz FWGKZHIXZAEJIJ-RDBSUJKOSA-N 2 1 298.435 -0.982 20 0 CBADMP CCCCC[N@@H+](C)CCC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001181868302 820836600 /nfs/dbraw/zinc/83/66/00/820836600.db2.gz FWGKZHIXZAEJIJ-RDBSUJKOSA-N 2 1 298.435 -0.982 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473054 820921609 /nfs/dbraw/zinc/92/16/09/820921609.db2.gz NRONAPNZQCLWPX-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676189 820935664 /nfs/dbraw/zinc/93/56/64/820935664.db2.gz DOFFDFCADHOQOI-YIYPIFLZSA-N 2 1 299.415 -0.476 20 0 CBADMP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)NC1(C[NH3+])COC1 ZINC001185234974 821103380 /nfs/dbraw/zinc/10/33/80/821103380.db2.gz GUAIEYPGRKZKIJ-ZDUSSCGKSA-N 2 1 293.367 -0.677 20 0 CBADMP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)NC1(C[NH3+])COC1 ZINC001185234974 821103385 /nfs/dbraw/zinc/10/33/85/821103385.db2.gz GUAIEYPGRKZKIJ-ZDUSSCGKSA-N 2 1 293.367 -0.677 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001185257300 821111641 /nfs/dbraw/zinc/11/16/41/821111641.db2.gz JEUAJNAVJZAAHY-LLVKDONJSA-N 2 1 252.362 -0.994 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001185257301 821112980 /nfs/dbraw/zinc/11/29/80/821112980.db2.gz JEUAJNAVJZAAHY-NSHDSACASA-N 2 1 252.362 -0.994 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC001185262946 821115911 /nfs/dbraw/zinc/11/59/11/821115911.db2.gz RZQZEFAWBVCHAT-LBPRGKRZSA-N 2 1 270.421 -0.064 20 0 CBADMP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001185408720 821128743 /nfs/dbraw/zinc/12/87/43/821128743.db2.gz XGHTXOUDNQUETR-LLVKDONJSA-N 2 1 280.376 -0.543 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185546818 821133985 /nfs/dbraw/zinc/13/39/85/821133985.db2.gz DNJHDUSQFYOHRA-QWHCGFSZSA-N 2 1 298.431 -0.112 20 0 CBADMP CN(CC1CC[NH+](C)CC1)C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186036663 821153820 /nfs/dbraw/zinc/15/38/20/821153820.db2.gz BPXFGCRKDFHQHH-ZDUSSCGKSA-N 2 1 269.389 -0.147 20 0 CBADMP O=C(C[N@H+]1CC[C@@H](O)C1)N1CC[NH+](C2CCOCC2)CC1 ZINC001186039122 821153999 /nfs/dbraw/zinc/15/39/99/821153999.db2.gz WCEXPVYQRXNCFX-CQSZACIVSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CC[NH+](C2CCOCC2)CC1 ZINC001186039122 821154004 /nfs/dbraw/zinc/15/40/04/821154004.db2.gz WCEXPVYQRXNCFX-CQSZACIVSA-N 2 1 297.399 -0.624 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](O)C2)C1 ZINC001186044393 821156139 /nfs/dbraw/zinc/15/61/39/821156139.db2.gz GOWADYKMKKTBEW-OLZOCXBDSA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)C1 ZINC001186044393 821156144 /nfs/dbraw/zinc/15/61/44/821156144.db2.gz GOWADYKMKKTBEW-OLZOCXBDSA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)C1 ZINC001186044393 821156149 /nfs/dbraw/zinc/15/61/49/821156149.db2.gz GOWADYKMKKTBEW-OLZOCXBDSA-N 2 1 269.389 -0.006 20 0 CBADMP COCCC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001186050550 821161043 /nfs/dbraw/zinc/16/10/43/821161043.db2.gz SOIYDFSUICEYNO-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP COCCC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001186050550 821161050 /nfs/dbraw/zinc/16/10/50/821161050.db2.gz SOIYDFSUICEYNO-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP N=c1cc(C[NH3+])ccn1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186050739 821162077 /nfs/dbraw/zinc/16/20/77/821162077.db2.gz UREARUWHXQGGRY-SNVBAGLBSA-N 2 1 250.302 -0.867 20 0 CBADMP N=c1cc(C[NH3+])ccn1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186050739 821162080 /nfs/dbraw/zinc/16/20/80/821162080.db2.gz UREARUWHXQGGRY-SNVBAGLBSA-N 2 1 250.302 -0.867 20 0 CBADMP CC[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC001186098951 821169643 /nfs/dbraw/zinc/16/96/43/821169643.db2.gz IFZCDRZDIJYMRW-LBPRGKRZSA-N 2 1 285.388 -0.061 20 0 CBADMP CC[NH+](CC)CCNC(=O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC001186098951 821169645 /nfs/dbraw/zinc/16/96/45/821169645.db2.gz IFZCDRZDIJYMRW-LBPRGKRZSA-N 2 1 285.388 -0.061 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC001186107768 821170563 /nfs/dbraw/zinc/17/05/63/821170563.db2.gz RPKZYTBATSBIFK-LBPRGKRZSA-N 2 1 295.383 -0.212 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC001186107768 821170570 /nfs/dbraw/zinc/17/05/70/821170570.db2.gz RPKZYTBATSBIFK-LBPRGKRZSA-N 2 1 295.383 -0.212 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC001186115954 821171367 /nfs/dbraw/zinc/17/13/67/821171367.db2.gz QLCGMOWDSWUQRI-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC001186115954 821171371 /nfs/dbraw/zinc/17/13/71/821171371.db2.gz QLCGMOWDSWUQRI-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC001186115954 821171382 /nfs/dbraw/zinc/17/13/82/821171382.db2.gz QLCGMOWDSWUQRI-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC001186115954 821171389 /nfs/dbraw/zinc/17/13/89/821171389.db2.gz QLCGMOWDSWUQRI-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N[C@H](C)C[NH+](C)C)C1 ZINC001186115616 821172307 /nfs/dbraw/zinc/17/23/07/821172307.db2.gz GHWPUDYSSMEXFY-MNOVXSKESA-N 2 1 271.361 -0.452 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N[C@H](C)C[NH+](C)C)C1 ZINC001186115616 821172309 /nfs/dbraw/zinc/17/23/09/821172309.db2.gz GHWPUDYSSMEXFY-MNOVXSKESA-N 2 1 271.361 -0.452 20 0 CBADMP C[N@H+]1CCC[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001186362604 821179581 /nfs/dbraw/zinc/17/95/81/821179581.db2.gz UMAHCFPBKTVACY-JTQLQIEISA-N 3 1 255.366 -0.211 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001186825071 821198618 /nfs/dbraw/zinc/19/86/18/821198618.db2.gz XXZLJPJVGMRWFY-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001186824645 821199203 /nfs/dbraw/zinc/19/92/03/821199203.db2.gz CYICXGWKEBYQEQ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187106505 821211535 /nfs/dbraw/zinc/21/15/35/821211535.db2.gz IRVDIJAPPVEBTI-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](NCc2nnnn2C)C1 ZINC001187283914 822263986 /nfs/dbraw/zinc/26/39/86/822263986.db2.gz DZNFDRFCNVSJTR-LLVKDONJSA-N 2 1 295.391 -0.758 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001187283914 822263996 /nfs/dbraw/zinc/26/39/96/822263996.db2.gz DZNFDRFCNVSJTR-LLVKDONJSA-N 2 1 295.391 -0.758 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187826355 822298576 /nfs/dbraw/zinc/29/85/76/822298576.db2.gz XZMPPCAULNNGMO-YNEHKIRRSA-N 2 1 285.388 -0.864 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187819005 822298638 /nfs/dbraw/zinc/29/86/38/822298638.db2.gz XJVPACHRRLLBHT-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187841461 822300237 /nfs/dbraw/zinc/30/02/37/822300237.db2.gz BDIUCJOOFCXYQD-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187843118 822301184 /nfs/dbraw/zinc/30/11/84/822301184.db2.gz UPNXZVHVMSNRTH-LLVKDONJSA-N 2 1 279.344 -0.872 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001282450662 828447627 /nfs/dbraw/zinc/44/76/27/828447627.db2.gz VTEKXZZQNMEZQP-MNOVXSKESA-N 2 1 298.387 -0.820 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)CCO ZINC001282460823 828448459 /nfs/dbraw/zinc/44/84/59/828448459.db2.gz HAOXKYKMJWPGBS-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)CCO ZINC001282460823 828448461 /nfs/dbraw/zinc/44/84/61/828448461.db2.gz HAOXKYKMJWPGBS-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)CCO ZINC001282460823 828448466 /nfs/dbraw/zinc/44/84/66/828448466.db2.gz HAOXKYKMJWPGBS-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@H+](C)CCO ZINC001282495130 828450422 /nfs/dbraw/zinc/45/04/22/828450422.db2.gz REYSYOOLFKPBKY-SNVBAGLBSA-N 2 1 254.334 -0.380 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@@H+](C)CCO ZINC001282495130 828450424 /nfs/dbraw/zinc/45/04/24/828450424.db2.gz REYSYOOLFKPBKY-SNVBAGLBSA-N 2 1 254.334 -0.380 20 0 CBADMP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001283147821 828500443 /nfs/dbraw/zinc/50/04/43/828500443.db2.gz YIHXWJKJZOGJBA-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001283189571 828504975 /nfs/dbraw/zinc/50/49/75/828504975.db2.gz AHJUFJBTYOCVPW-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001188979793 823727773 /nfs/dbraw/zinc/72/77/73/823727773.db2.gz TWHDELBEERPDRA-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001188979793 823727776 /nfs/dbraw/zinc/72/77/76/823727776.db2.gz TWHDELBEERPDRA-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283827947 828554679 /nfs/dbraw/zinc/55/46/79/828554679.db2.gz VRGWYHJNMHPHOD-VXGBXAGGSA-N 2 1 257.378 -0.339 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055167 823731104 /nfs/dbraw/zinc/73/11/04/823731104.db2.gz NXNIDOYBODVQBN-RWMBFGLXSA-N 2 1 296.415 -0.395 20 0 CBADMP C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189391360 823754139 /nfs/dbraw/zinc/75/41/39/823754139.db2.gz XOTVGIIKIWTSFU-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCOCCO)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189391360 823754147 /nfs/dbraw/zinc/75/41/47/823754147.db2.gz XOTVGIIKIWTSFU-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCOCCO)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189391360 823754150 /nfs/dbraw/zinc/75/41/50/823754150.db2.gz XOTVGIIKIWTSFU-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390920 823754195 /nfs/dbraw/zinc/75/41/95/823754195.db2.gz UEZREQJVZFWIEX-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390920 823754202 /nfs/dbraw/zinc/75/42/02/823754202.db2.gz UEZREQJVZFWIEX-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189390920 823754209 /nfs/dbraw/zinc/75/42/09/823754209.db2.gz UEZREQJVZFWIEX-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189390920 823754217 /nfs/dbraw/zinc/75/42/17/823754217.db2.gz UEZREQJVZFWIEX-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517930 823765328 /nfs/dbraw/zinc/76/53/28/823765328.db2.gz WWIRNUFAIHLCFY-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517930 823765329 /nfs/dbraw/zinc/76/53/29/823765329.db2.gz WWIRNUFAIHLCFY-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189517930 823765330 /nfs/dbraw/zinc/76/53/30/823765330.db2.gz WWIRNUFAIHLCFY-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189517930 823765331 /nfs/dbraw/zinc/76/53/31/823765331.db2.gz WWIRNUFAIHLCFY-KGLIPLIRSA-N 2 1 299.415 -0.114 20 0 CBADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001189819839 823775519 /nfs/dbraw/zinc/77/55/19/823775519.db2.gz AMBDFCIFSBNNLJ-QWHCGFSZSA-N 2 1 285.388 -0.910 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238029 823807778 /nfs/dbraw/zinc/80/77/78/823807778.db2.gz HZVJQGBPXYJMDE-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238029 823807785 /nfs/dbraw/zinc/80/77/85/823807785.db2.gz HZVJQGBPXYJMDE-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190238029 823807795 /nfs/dbraw/zinc/80/77/95/823807795.db2.gz HZVJQGBPXYJMDE-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190238029 823807802 /nfs/dbraw/zinc/80/78/02/823807802.db2.gz HZVJQGBPXYJMDE-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001190350496 823812405 /nfs/dbraw/zinc/81/24/05/823812405.db2.gz FSZNJIXTCZYLRU-FRRDWIJNSA-N 2 1 296.415 -0.267 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001190350496 823812409 /nfs/dbraw/zinc/81/24/09/823812409.db2.gz FSZNJIXTCZYLRU-FRRDWIJNSA-N 2 1 296.415 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001190350496 823812413 /nfs/dbraw/zinc/81/24/13/823812413.db2.gz FSZNJIXTCZYLRU-FRRDWIJNSA-N 2 1 296.415 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001190350496 823812415 /nfs/dbraw/zinc/81/24/15/823812415.db2.gz FSZNJIXTCZYLRU-FRRDWIJNSA-N 2 1 296.415 -0.267 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190653065 823831884 /nfs/dbraw/zinc/83/18/84/823831884.db2.gz BNIHSSDKKNGJPU-GXTWGEPZSA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190653065 823831891 /nfs/dbraw/zinc/83/18/91/823831891.db2.gz BNIHSSDKKNGJPU-GXTWGEPZSA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190653069 823833887 /nfs/dbraw/zinc/83/38/87/823833887.db2.gz BNIHSSDKKNGJPU-OCCSQVGLSA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190653069 823833896 /nfs/dbraw/zinc/83/38/96/823833896.db2.gz BNIHSSDKKNGJPU-OCCSQVGLSA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675566 823835482 /nfs/dbraw/zinc/83/54/82/823835482.db2.gz QTQTYCIFZBHQEM-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675566 823835492 /nfs/dbraw/zinc/83/54/92/823835492.db2.gz QTQTYCIFZBHQEM-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001190675566 823835503 /nfs/dbraw/zinc/83/55/03/823835503.db2.gz QTQTYCIFZBHQEM-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675566 823835515 /nfs/dbraw/zinc/83/55/15/823835515.db2.gz QTQTYCIFZBHQEM-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CC(=O)NC)C1 ZINC001191019634 823869069 /nfs/dbraw/zinc/86/90/69/823869069.db2.gz PGGVWEPSRJDFGN-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191793684 823925590 /nfs/dbraw/zinc/92/55/90/823925590.db2.gz MLFFBSIVPZMDEM-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191793684 823925600 /nfs/dbraw/zinc/92/56/00/823925600.db2.gz MLFFBSIVPZMDEM-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191793684 823925607 /nfs/dbraw/zinc/92/56/07/823925607.db2.gz MLFFBSIVPZMDEM-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191793684 823925615 /nfs/dbraw/zinc/92/56/15/823925615.db2.gz MLFFBSIVPZMDEM-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191998482 823936687 /nfs/dbraw/zinc/93/66/87/823936687.db2.gz NRRCLPUYCSKCEH-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191998482 823936697 /nfs/dbraw/zinc/93/66/97/823936697.db2.gz NRRCLPUYCSKCEH-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)CC1 ZINC001192006192 823939252 /nfs/dbraw/zinc/93/92/52/823939252.db2.gz FVPFVQIPBNCWCK-LLVKDONJSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)CC1 ZINC001192006192 823939260 /nfs/dbraw/zinc/93/92/60/823939260.db2.gz FVPFVQIPBNCWCK-LLVKDONJSA-N 2 1 282.388 -0.654 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192134068 823951768 /nfs/dbraw/zinc/95/17/68/823951768.db2.gz GGZPBMMKYDGRRO-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192134068 823951772 /nfs/dbraw/zinc/95/17/72/823951772.db2.gz GGZPBMMKYDGRRO-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCCNC2=O)C1 ZINC001192161061 823952450 /nfs/dbraw/zinc/95/24/50/823952450.db2.gz GYFSIQUYONUJHM-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153901 823953629 /nfs/dbraw/zinc/95/36/29/823953629.db2.gz YEOQHNZGMHSOSJ-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153901 823953639 /nfs/dbraw/zinc/95/36/39/823953639.db2.gz YEOQHNZGMHSOSJ-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001192947028 823992664 /nfs/dbraw/zinc/99/26/64/823992664.db2.gz GODDWPKCOJBLTH-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001192947030 823992847 /nfs/dbraw/zinc/99/28/47/823992847.db2.gz GODDWPKCOJBLTH-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192958886 823994152 /nfs/dbraw/zinc/99/41/52/823994152.db2.gz GXMOYOZIFIQSGM-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)CN(C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193289833 824017715 /nfs/dbraw/zinc/01/77/15/824017715.db2.gz ADMFFKPCBMCXPB-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193289833 824017719 /nfs/dbraw/zinc/01/77/19/824017719.db2.gz ADMFFKPCBMCXPB-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193289833 824017723 /nfs/dbraw/zinc/01/77/23/824017723.db2.gz ADMFFKPCBMCXPB-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193289833 824017726 /nfs/dbraw/zinc/01/77/26/824017726.db2.gz ADMFFKPCBMCXPB-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193289833 824017729 /nfs/dbraw/zinc/01/77/29/824017729.db2.gz ADMFFKPCBMCXPB-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP COCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001284470465 828600120 /nfs/dbraw/zinc/60/01/20/828600120.db2.gz VGQZPGOZQARLDG-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193468456 824029689 /nfs/dbraw/zinc/02/96/89/824029689.db2.gz DHGVQMVKDHGKKM-GFCCVEGCSA-N 2 1 294.399 -0.639 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193468456 824029695 /nfs/dbraw/zinc/02/96/95/824029695.db2.gz DHGVQMVKDHGKKM-GFCCVEGCSA-N 2 1 294.399 -0.639 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193766791 824045016 /nfs/dbraw/zinc/04/50/16/824045016.db2.gz WODLUIBFCFJSSW-JHJVBQTASA-N 2 1 269.389 -0.102 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774933 824045657 /nfs/dbraw/zinc/04/56/57/824045657.db2.gz YHXNPVRIOMZAKT-JHJVBQTASA-N 2 1 299.415 -0.333 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001193892220 824048408 /nfs/dbraw/zinc/04/84/08/824048408.db2.gz GMIMMBZAPDTLGO-JHJVBQTASA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001193892220 824048410 /nfs/dbraw/zinc/04/84/10/824048410.db2.gz GMIMMBZAPDTLGO-JHJVBQTASA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193892220 824048411 /nfs/dbraw/zinc/04/84/11/824048411.db2.gz GMIMMBZAPDTLGO-JHJVBQTASA-N 2 1 285.388 -0.986 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001193892826 824048952 /nfs/dbraw/zinc/04/89/52/824048952.db2.gz UMUOEISIBCONQK-BFHYXJOUSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001193892826 824048956 /nfs/dbraw/zinc/04/89/56/824048956.db2.gz UMUOEISIBCONQK-BFHYXJOUSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193892826 824048959 /nfs/dbraw/zinc/04/89/59/824048959.db2.gz UMUOEISIBCONQK-BFHYXJOUSA-N 2 1 299.415 -0.596 20 0 CBADMP CN(C)C(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194000297 824055461 /nfs/dbraw/zinc/05/54/61/824055461.db2.gz AKWUJZVVVQKVDA-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194000297 824055466 /nfs/dbraw/zinc/05/54/66/824055466.db2.gz AKWUJZVVVQKVDA-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194000297 824055470 /nfs/dbraw/zinc/05/54/70/824055470.db2.gz AKWUJZVVVQKVDA-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194000297 824055472 /nfs/dbraw/zinc/05/54/72/824055472.db2.gz AKWUJZVVVQKVDA-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP CN(C)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194000297 824055477 /nfs/dbraw/zinc/05/54/77/824055477.db2.gz AKWUJZVVVQKVDA-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194036727 824055821 /nfs/dbraw/zinc/05/58/21/824055821.db2.gz CQGVGFCPFAUBPL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194027279 824055983 /nfs/dbraw/zinc/05/59/83/824055983.db2.gz QVWLKANFSMEXLE-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194027279 824055989 /nfs/dbraw/zinc/05/59/89/824055989.db2.gz QVWLKANFSMEXLE-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194027963 824056711 /nfs/dbraw/zinc/05/67/11/824056711.db2.gz VUZYLKLTOWFPMX-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194027963 824056718 /nfs/dbraw/zinc/05/67/18/824056718.db2.gz VUZYLKLTOWFPMX-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194026578 824056557 /nfs/dbraw/zinc/05/65/57/824056557.db2.gz GPMQWLLQKIBGDW-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194026578 824056563 /nfs/dbraw/zinc/05/65/63/824056563.db2.gz GPMQWLLQKIBGDW-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC)C[C@H]1O ZINC001194259306 824066271 /nfs/dbraw/zinc/06/62/71/824066271.db2.gz VLSNTXSUQFBIHS-GHMZBOCLSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC)C[C@H]1O ZINC001194259306 824066280 /nfs/dbraw/zinc/06/62/80/824066280.db2.gz VLSNTXSUQFBIHS-GHMZBOCLSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC)C[C@H]1O ZINC001194259306 824066283 /nfs/dbraw/zinc/06/62/83/824066283.db2.gz VLSNTXSUQFBIHS-GHMZBOCLSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)C(N)=O)C1 ZINC001194285965 824067469 /nfs/dbraw/zinc/06/74/69/824067469.db2.gz VWJOVTITGVHHON-NWDGAFQWSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001194285965 824067473 /nfs/dbraw/zinc/06/74/73/824067473.db2.gz VWJOVTITGVHHON-NWDGAFQWSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001194285965 824067477 /nfs/dbraw/zinc/06/74/77/824067477.db2.gz VWJOVTITGVHHON-NWDGAFQWSA-N 2 1 284.404 -0.267 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194284756 824068016 /nfs/dbraw/zinc/06/80/16/824068016.db2.gz NDAMUXICCLLILK-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194284756 824068019 /nfs/dbraw/zinc/06/80/19/824068019.db2.gz NDAMUXICCLLILK-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194284756 824068024 /nfs/dbraw/zinc/06/80/24/824068024.db2.gz NDAMUXICCLLILK-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194284756 824068025 /nfs/dbraw/zinc/06/80/25/824068025.db2.gz NDAMUXICCLLILK-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001195284139 824109072 /nfs/dbraw/zinc/10/90/72/824109072.db2.gz PUPHKVYNARJUMQ-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP COC[C@@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001195284139 824109076 /nfs/dbraw/zinc/10/90/76/824109076.db2.gz PUPHKVYNARJUMQ-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP COC[C@@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001195284139 824109080 /nfs/dbraw/zinc/10/90/80/824109080.db2.gz PUPHKVYNARJUMQ-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195821860 824134264 /nfs/dbraw/zinc/13/42/64/824134264.db2.gz QCXGTKHHSTVUBU-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869396 824135198 /nfs/dbraw/zinc/13/51/98/824135198.db2.gz CIMCZZHZHMJBBI-IJLUTSLNSA-N 2 1 273.377 -0.866 20 0 CBADMP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860204 824135414 /nfs/dbraw/zinc/13/54/14/824135414.db2.gz TZEXBGFUPKRZPY-YNEHKIRRSA-N 2 1 287.404 -0.740 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001195860022 824135598 /nfs/dbraw/zinc/13/55/98/824135598.db2.gz SBJVWQCHIQPGCN-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](O)C[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197043988 824176693 /nfs/dbraw/zinc/17/66/93/824176693.db2.gz LHJICUWPDFTQAE-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@H](O)C[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197043990 824176862 /nfs/dbraw/zinc/17/68/62/824176862.db2.gz LHJICUWPDFTQAE-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048870 824177085 /nfs/dbraw/zinc/17/70/85/824177085.db2.gz HWSYPYVMJUWIAV-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493148 824192484 /nfs/dbraw/zinc/19/24/84/824192484.db2.gz FQMKWQZBWLLKNJ-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197776461 824202034 /nfs/dbraw/zinc/20/20/34/824202034.db2.gz XJADOBWUHPGUSF-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001197776461 824202039 /nfs/dbraw/zinc/20/20/39/824202039.db2.gz XJADOBWUHPGUSF-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001197776461 824202047 /nfs/dbraw/zinc/20/20/47/824202047.db2.gz XJADOBWUHPGUSF-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCOCC(=O)N1CCC[N@@H+](CCCO)CC1 ZINC001197833210 824204945 /nfs/dbraw/zinc/20/49/45/824204945.db2.gz UPOKSKLBTIRDPU-UHFFFAOYSA-N 2 1 287.404 -0.519 20 0 CBADMP C[C@@H](O)C[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832003 824205165 /nfs/dbraw/zinc/20/51/65/824205165.db2.gz GTTZPUZIUCMDRB-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCCN([C@H](C)C(=O)NC)CC1 ZINC001197921979 824208281 /nfs/dbraw/zinc/20/82/81/824208281.db2.gz DPMSJHPREFOLCH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+]([C@H](C)C(=O)NC)CC1 ZINC001197921979 824208299 /nfs/dbraw/zinc/20/82/99/824208299.db2.gz DPMSJHPREFOLCH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC)CC1 ZINC001197921979 824208306 /nfs/dbraw/zinc/20/83/06/824208306.db2.gz DPMSJHPREFOLCH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[N@H+]([C@H](C)C(=O)NC)CC1 ZINC001197921979 824208318 /nfs/dbraw/zinc/20/83/18/824208318.db2.gz DPMSJHPREFOLCH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCCN([C@H](C)C(N)=O)CC1 ZINC001197914557 824210048 /nfs/dbraw/zinc/21/00/48/824210048.db2.gz WJNUGOUHLRNIJK-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]CCCO)C1 ZINC001284818709 828623347 /nfs/dbraw/zinc/62/33/47/828623347.db2.gz PPGKLYVLKADCQQ-HIFPTAJRSA-N 2 1 269.389 -0.101 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CCC[N@H+](CCOCCO)CC1 ZINC001198097560 824218811 /nfs/dbraw/zinc/21/88/11/824218811.db2.gz DDWZHIZTCITNOL-UHFFFAOYSA-N 2 1 299.415 -0.375 20 0 CBADMP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672355 824235958 /nfs/dbraw/zinc/23/59/58/824235958.db2.gz NUQYISBKMBRGHS-BFHYXJOUSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672355 824235965 /nfs/dbraw/zinc/23/59/65/824235965.db2.gz NUQYISBKMBRGHS-BFHYXJOUSA-N 2 1 299.415 -0.596 20 0 CBADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198661169 824236535 /nfs/dbraw/zinc/23/65/35/824236535.db2.gz DDDOZZMDRJSGKB-BFHYXJOUSA-N 2 1 299.415 -0.476 20 0 CBADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198662518 824236514 /nfs/dbraw/zinc/23/65/14/824236514.db2.gz RBROUQHGPQMJHL-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198662518 824236516 /nfs/dbraw/zinc/23/65/16/824236516.db2.gz RBROUQHGPQMJHL-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198662518 824236521 /nfs/dbraw/zinc/23/65/21/824236521.db2.gz RBROUQHGPQMJHL-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198661169 824236540 /nfs/dbraw/zinc/23/65/40/824236540.db2.gz DDDOZZMDRJSGKB-BFHYXJOUSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198661169 824236545 /nfs/dbraw/zinc/23/65/45/824236545.db2.gz DDDOZZMDRJSGKB-BFHYXJOUSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1O ZINC001199103940 824248739 /nfs/dbraw/zinc/24/87/39/824248739.db2.gz DWRMQPUODDTVBZ-VXGBXAGGSA-N 2 1 257.378 -0.104 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1O ZINC001199103940 824248744 /nfs/dbraw/zinc/24/87/44/824248744.db2.gz DWRMQPUODDTVBZ-VXGBXAGGSA-N 2 1 257.378 -0.104 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1O ZINC001199103940 824248749 /nfs/dbraw/zinc/24/87/49/824248749.db2.gz DWRMQPUODDTVBZ-VXGBXAGGSA-N 2 1 257.378 -0.104 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001199787873 824287333 /nfs/dbraw/zinc/28/73/33/824287333.db2.gz GJGQPVQATCQSKD-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1C[C@@H]2C[C@H]1CN2C(=S)NCCCN1CCOCC1 ZINC001199945159 824297160 /nfs/dbraw/zinc/29/71/60/824297160.db2.gz PYEQELQEVKDKPA-STQMWFEESA-N 2 1 298.456 -0.029 20 0 CBADMP CN1C[C@@H]2C[C@H]1CN2C(=S)NCCCN1CCOCC1 ZINC001199945159 824297168 /nfs/dbraw/zinc/29/71/68/824297168.db2.gz PYEQELQEVKDKPA-STQMWFEESA-N 2 1 298.456 -0.029 20 0 CBADMP CCOCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199942942 824297721 /nfs/dbraw/zinc/29/77/21/824297721.db2.gz BNVAQDYXBXTREH-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199942942 824297728 /nfs/dbraw/zinc/29/77/28/824297728.db2.gz BNVAQDYXBXTREH-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201404318 824331778 /nfs/dbraw/zinc/33/17/78/824331778.db2.gz UMIXQRVCDSAKLD-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC1=CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001284977883 828638079 /nfs/dbraw/zinc/63/80/79/828638079.db2.gz NBUNHRRCYUKQNX-GFCCVEGCSA-N 2 1 296.415 -0.050 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1=CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001284977883 828638086 /nfs/dbraw/zinc/63/80/86/828638086.db2.gz NBUNHRRCYUKQNX-GFCCVEGCSA-N 2 1 296.415 -0.050 20 0 CBADMP CC[NH+](C)CCC(=O)NCC1=CC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001284977883 828638090 /nfs/dbraw/zinc/63/80/90/828638090.db2.gz NBUNHRRCYUKQNX-GFCCVEGCSA-N 2 1 296.415 -0.050 20 0 CBADMP CC[NH+](C)CCC(=O)NCC1=CC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001284977883 828638094 /nfs/dbraw/zinc/63/80/94/828638094.db2.gz NBUNHRRCYUKQNX-GFCCVEGCSA-N 2 1 296.415 -0.050 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201931207 824339435 /nfs/dbraw/zinc/33/94/35/824339435.db2.gz JCKMGFGOBLOESP-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001202166005 824341530 /nfs/dbraw/zinc/34/15/30/824341530.db2.gz UCFYUKARLONJIR-ZDUSSCGKSA-N 2 1 287.404 -0.474 20 0 CBADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Cn1ccnn1 ZINC001202748352 824351762 /nfs/dbraw/zinc/35/17/62/824351762.db2.gz ABJTVCZPEYUFED-FRRDWIJNSA-N 2 1 265.361 -0.145 20 0 CBADMP C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H]1CCC(=O)N1 ZINC001202878711 824354009 /nfs/dbraw/zinc/35/40/09/824354009.db2.gz RTASGHJLHDVZRU-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC001203203131 824359598 /nfs/dbraw/zinc/35/95/98/824359598.db2.gz HCMAQBLEPAXJLR-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203699695 824362839 /nfs/dbraw/zinc/36/28/39/824362839.db2.gz PYBSZLJFLXFZRO-GXTWGEPZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]CCOCCO)CC2)C1 ZINC001203699954 824362968 /nfs/dbraw/zinc/36/29/68/824362968.db2.gz YLDKNGCDDAZHLE-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203791236 824363003 /nfs/dbraw/zinc/36/30/03/824363003.db2.gz FOZVYBUUADLKTA-NWDGAFQWSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CCCO)CC2)C1 ZINC001204875690 824371856 /nfs/dbraw/zinc/37/18/56/824371856.db2.gz AMFDEPUGRFECSO-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CCCO)CC2)C1 ZINC001204875690 824371861 /nfs/dbraw/zinc/37/18/61/824371861.db2.gz AMFDEPUGRFECSO-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1)C1CCC1 ZINC001205469507 824378976 /nfs/dbraw/zinc/37/89/76/824378976.db2.gz IYHAFJOPFFZREV-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001205526123 824379777 /nfs/dbraw/zinc/37/97/77/824379777.db2.gz FJJFHAIREVPNFA-ZDUSSCGKSA-N 2 1 296.415 -0.216 20 0 CBADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC001205690689 824381213 /nfs/dbraw/zinc/38/12/13/824381213.db2.gz WUDIKFNUBFGTMG-GFCCVEGCSA-N 2 1 268.317 -0.437 20 0 CBADMP CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001205946781 824390079 /nfs/dbraw/zinc/39/00/79/824390079.db2.gz QIMRFHJIWNLJDY-YNEHKIRRSA-N 2 1 255.362 -0.361 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCCO)cc2)C[C@H]1O ZINC001206470404 824400652 /nfs/dbraw/zinc/40/06/52/824400652.db2.gz XESUCHLSJFZNDB-GXTWGEPZSA-N 2 1 266.341 -0.191 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCCO)cc2)C[C@H]1O ZINC001206470404 824400654 /nfs/dbraw/zinc/40/06/54/824400654.db2.gz XESUCHLSJFZNDB-GXTWGEPZSA-N 2 1 266.341 -0.191 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001206518660 824402154 /nfs/dbraw/zinc/40/21/54/824402154.db2.gz DAYWXXUYSWXJEK-RYUDHWBXSA-N 2 1 274.328 -0.382 20 0 CBADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206586429 824403601 /nfs/dbraw/zinc/40/36/01/824403601.db2.gz ZZKQWCXJZQUDIG-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001206586429 824403602 /nfs/dbraw/zinc/40/36/02/824403602.db2.gz ZZKQWCXJZQUDIG-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001206586429 824403603 /nfs/dbraw/zinc/40/36/03/824403603.db2.gz ZZKQWCXJZQUDIG-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CCO)CC2)C1 ZINC001206943455 824414172 /nfs/dbraw/zinc/41/41/72/824414172.db2.gz RQVPLGGSYKPLMR-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CCO)CC2)C1 ZINC001206943455 824414175 /nfs/dbraw/zinc/41/41/75/824414175.db2.gz RQVPLGGSYKPLMR-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP COC(C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1)OC ZINC001207254689 824423954 /nfs/dbraw/zinc/42/39/54/824423954.db2.gz TWDGLBXGGUDPIM-UHFFFAOYSA-N 2 1 273.377 -0.299 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207684214 824434117 /nfs/dbraw/zinc/43/41/17/824434117.db2.gz KNUUJWUGHJMKOU-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCO)C2)C1 ZINC001207734047 824436238 /nfs/dbraw/zinc/43/62/38/824436238.db2.gz CFUPKLHBGKISQL-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCO)C2)C1 ZINC001207734047 824436242 /nfs/dbraw/zinc/43/62/42/824436242.db2.gz CFUPKLHBGKISQL-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP COCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207734419 824436775 /nfs/dbraw/zinc/43/67/75/824436775.db2.gz HOWZJDFVEJHWLW-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207734419 824436778 /nfs/dbraw/zinc/43/67/78/824436778.db2.gz HOWZJDFVEJHWLW-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207734611 824437830 /nfs/dbraw/zinc/43/78/30/824437830.db2.gz KCIYJQBRGGEACP-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207734611 824437833 /nfs/dbraw/zinc/43/78/33/824437833.db2.gz KCIYJQBRGGEACP-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CN1CC[N@H+](C)C2(CCN(CC[NH+](C)C)CC2)C1=O ZINC001208125014 824446672 /nfs/dbraw/zinc/44/66/72/824446672.db2.gz BKLUAKYJHAXALP-UHFFFAOYSA-N 2 1 268.405 -0.214 20 0 CBADMP CN1CC[N@@H+](C)C2(CCN(CC[NH+](C)C)CC2)C1=O ZINC001208125014 824446674 /nfs/dbraw/zinc/44/66/74/824446674.db2.gz BKLUAKYJHAXALP-UHFFFAOYSA-N 2 1 268.405 -0.214 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447912 824453598 /nfs/dbraw/zinc/45/35/98/824453598.db2.gz RRBQYQYPZTYLSN-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492809 824454564 /nfs/dbraw/zinc/45/45/64/824454564.db2.gz QBBWIYIKICNNNR-FRRDWIJNSA-N 2 1 287.404 -0.618 20 0 CBADMP C[N@@H+](CCN1CCOCC1)CCN1CC[NH+](C)CC1 ZINC001209293617 824467418 /nfs/dbraw/zinc/46/74/18/824467418.db2.gz ZOGRXGGYJVUXDI-UHFFFAOYSA-N 2 1 270.421 -0.502 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445740 824471912 /nfs/dbraw/zinc/47/19/12/824471912.db2.gz OTVMQPYNZBLCQQ-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214969370 824537527 /nfs/dbraw/zinc/53/75/27/824537527.db2.gz PIZBMMMQTKBVFU-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215541005 824543884 /nfs/dbraw/zinc/54/38/84/824543884.db2.gz UTCSLWIDLLSSDD-YNEHKIRRSA-N 2 1 296.415 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001216511566 824547848 /nfs/dbraw/zinc/54/78/48/824547848.db2.gz UOTVSTNUVWADMV-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H]1C[NH+](CCc2nnc([C@@H](N)C[NH3+])o2)C[C@@H](C)O1 ZINC001217702417 824559330 /nfs/dbraw/zinc/55/93/30/824559330.db2.gz XGHMCZHVBQQCIA-BBBLOLIVSA-N 2 1 269.349 -0.320 20 0 CBADMP C[C@@H]1C[N@@H+](CCc2nnc([C@@H](N)C[NH3+])o2)C[C@H](C)O1 ZINC001217702412 824559199 /nfs/dbraw/zinc/55/91/99/824559199.db2.gz XGHMCZHVBQQCIA-AEJSXWLSSA-N 2 1 269.349 -0.320 20 0 CBADMP C[C@@H]1C[N@H+](CCc2nnc([C@@H](N)C[NH3+])o2)C[C@H](C)O1 ZINC001217702412 824559209 /nfs/dbraw/zinc/55/92/09/824559209.db2.gz XGHMCZHVBQQCIA-AEJSXWLSSA-N 2 1 269.349 -0.320 20 0 CBADMP C[C@@H]1C[NH+](CCc2nnc([C@H]3C[NH2+]C[C@@H]3N)o2)C[C@@H](C)O1 ZINC001217744655 824561151 /nfs/dbraw/zinc/56/11/51/824561151.db2.gz NWRANYPKCNNQIN-WYUUTHIRSA-N 2 1 295.387 -0.265 20 0 CBADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N=c1ncnc2[nH][nH]cc1-2 ZINC001218516716 824578600 /nfs/dbraw/zinc/57/86/00/824578600.db2.gz DGPUHJJVGNCAQS-QMMMGPOBSA-N 2 1 263.305 -0.879 20 0 CBADMP Cc1[nH][nH]c2ncnc(=NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1-2 ZINC001218528307 824584501 /nfs/dbraw/zinc/58/45/01/824584501.db2.gz RYLNQBJZXMAVPX-QMMMGPOBSA-N 2 1 277.332 -0.570 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218532987 824585340 /nfs/dbraw/zinc/58/53/40/824585340.db2.gz LGAONUPBBCXTIG-SFYZADRCSA-N 2 1 298.368 -0.212 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218532988 824586200 /nfs/dbraw/zinc/58/62/00/824586200.db2.gz LGAONUPBBCXTIG-YUMQZZPRSA-N 2 1 298.368 -0.212 20 0 CBADMP [NH3+]CCC[NH2+]CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218534258 824586223 /nfs/dbraw/zinc/58/62/23/824586223.db2.gz SBIFECHFHDVJHV-QMMMGPOBSA-N 3 1 283.401 -0.164 20 0 CBADMP CCOC(=O)c1nc[nH]c1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218558516 824592265 /nfs/dbraw/zinc/59/22/65/824592265.db2.gz CDISCWDODLZTFZ-SECBINFHSA-N 2 1 295.343 -0.148 20 0 CBADMP NC(=O)c1[nH]ncc1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218565662 824595112 /nfs/dbraw/zinc/59/51/12/824595112.db2.gz YAFSIDHSWXLLKJ-MRVPVSSYSA-N 2 1 292.343 -0.679 20 0 CBADMP C[NH2+]CCC(=O)Nc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001218572434 824596025 /nfs/dbraw/zinc/59/60/25/824596025.db2.gz HRSWNDJFYUWKDT-UHFFFAOYSA-N 2 1 278.360 -0.224 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)C1 ZINC001218731251 824629309 /nfs/dbraw/zinc/62/93/09/824629309.db2.gz JWZXRNCJMYEHQA-WCQGTBRESA-N 2 1 291.355 -0.550 20 0 CBADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001218740781 824629895 /nfs/dbraw/zinc/62/98/95/824629895.db2.gz GAGTVXZWWSVMPD-GHMZBOCLSA-N 2 1 273.296 -0.071 20 0 CBADMP CN(C)c1cc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n[nH]1 ZINC001218743611 824631508 /nfs/dbraw/zinc/63/15/08/824631508.db2.gz VGSRQGKEIQJPAL-NSHDSACASA-N 2 1 266.349 -0.259 20 0 CBADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]21 ZINC001218814761 824641364 /nfs/dbraw/zinc/64/13/64/824641364.db2.gz WGGPEVJDGQALSW-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]21 ZINC001218814761 824641366 /nfs/dbraw/zinc/64/13/66/824641366.db2.gz WGGPEVJDGQALSW-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[NH+](CC)CCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001219555552 824727848 /nfs/dbraw/zinc/72/78/48/824727848.db2.gz FVZWXSQGNNFRND-WZRBSPASSA-N 2 1 254.378 -0.334 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219636032 824867442 /nfs/dbraw/zinc/86/74/42/824867442.db2.gz UWCRKMRSHDMKKX-NRPADANISA-N 2 1 255.297 -0.904 20 0 CBADMP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C1 ZINC001219641158 824870326 /nfs/dbraw/zinc/87/03/26/824870326.db2.gz GBIQAMQGLKRTSA-SKENRDBWSA-N 2 1 266.389 -0.430 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)CN2CC[NH+](C)CC2)C1 ZINC001219642867 824871553 /nfs/dbraw/zinc/87/15/53/824871553.db2.gz YOTJCLVYSOSQRL-STQMWFEESA-N 2 1 268.405 -0.404 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001219649180 824872582 /nfs/dbraw/zinc/87/25/82/824872582.db2.gz GGNLELFUGVKCMI-AVGNSLFASA-N 2 1 268.405 -0.406 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001219649182 824873113 /nfs/dbraw/zinc/87/31/13/824873113.db2.gz GGNLELFUGVKCMI-XQQFMLRXSA-N 2 1 268.405 -0.406 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001219648996 824873443 /nfs/dbraw/zinc/87/34/43/824873443.db2.gz CZQMDVGJSZIKCA-OBJOEFQTSA-N 2 1 297.447 -0.901 20 0 CBADMP C[C@@H]1C[C@@H](CNC(=O)C[NH2+]C2CC[NH2+]CC2)C[NH2+]1 ZINC001219684553 824877719 /nfs/dbraw/zinc/87/77/19/824877719.db2.gz PTAFVGCYBGYGSL-GHMZBOCLSA-N 3 1 254.378 -0.558 20 0 CBADMP C[C@@H]([NH3+])c1ncc(C(=O)NCCC2(O)C[NH2+]C2)s1 ZINC001219696240 824881944 /nfs/dbraw/zinc/88/19/44/824881944.db2.gz DPKTWGFOIGOKMH-SSDOTTSWSA-N 2 1 270.358 -0.383 20 0 CBADMP C[C@H]([NH3+])c1ncc(C(=O)N[C@@H]2COC[C@@H]2[NH3+])s1 ZINC001219720072 824886849 /nfs/dbraw/zinc/88/68/49/824886849.db2.gz FRYAEJFOCHTXEG-LYFYHCNISA-N 2 1 256.331 -0.381 20 0 CBADMP [NH3+]CCCNCC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744481 824889562 /nfs/dbraw/zinc/88/95/62/824889562.db2.gz XRPNIUQLIKSKBP-GFCCVEGCSA-N 2 1 284.404 -0.658 20 0 CBADMP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764841 824891324 /nfs/dbraw/zinc/89/13/24/824891324.db2.gz MKNMRCIVSUZKCR-MJBXVCDLSA-N 2 1 280.416 -0.214 20 0 CBADMP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764841 824891328 /nfs/dbraw/zinc/89/13/28/824891328.db2.gz MKNMRCIVSUZKCR-MJBXVCDLSA-N 2 1 280.416 -0.214 20 0 CBADMP [NH3+][C@@H](CC(F)F)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765999 824891404 /nfs/dbraw/zinc/89/14/04/824891404.db2.gz KTEDIHYWMSSWLC-UTLUCORTSA-N 2 1 276.331 -0.621 20 0 CBADMP [NH3+][C@@H](CC(F)F)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765999 824891412 /nfs/dbraw/zinc/89/14/12/824891412.db2.gz KTEDIHYWMSSWLC-UTLUCORTSA-N 2 1 276.331 -0.621 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798682 824894976 /nfs/dbraw/zinc/89/49/76/824894976.db2.gz QUHJXXXLRDHNRO-OLZOCXBDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)CCC1 ZINC001219798639 824895535 /nfs/dbraw/zinc/89/55/35/824895535.db2.gz POOXQKUQKNHOHY-NEPJUHHUSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CCC1 ZINC001219798639 824895538 /nfs/dbraw/zinc/89/55/38/824895538.db2.gz POOXQKUQKNHOHY-NEPJUHHUSA-N 2 1 285.388 -0.986 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800938 824896150 /nfs/dbraw/zinc/89/61/50/824896150.db2.gz PDUXSADUYVEPDP-PWSUYJOCSA-N 2 1 293.371 -0.836 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219816848 824898036 /nfs/dbraw/zinc/89/80/36/824898036.db2.gz SPXBRDOHMYLHCL-XQQFMLRXSA-N 3 1 262.357 -0.118 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001219829854 824900461 /nfs/dbraw/zinc/90/04/61/824900461.db2.gz GMIMMBZAPDTLGO-XQQFMLRXSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219829854 824900466 /nfs/dbraw/zinc/90/04/66/824900466.db2.gz GMIMMBZAPDTLGO-XQQFMLRXSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219829854 824900469 /nfs/dbraw/zinc/90/04/69/824900469.db2.gz GMIMMBZAPDTLGO-XQQFMLRXSA-N 2 1 285.388 -0.986 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850495 824902776 /nfs/dbraw/zinc/90/27/76/824902776.db2.gz WHFAQBPHZUKCPA-FPMFFAJLSA-N 3 1 296.415 -0.931 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850595 824903230 /nfs/dbraw/zinc/90/32/30/824903230.db2.gz YLTRJSQYJXFSMN-FTYKPCCVSA-N 2 1 293.371 -0.980 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219867765 824904439 /nfs/dbraw/zinc/90/44/39/824904439.db2.gz RCNSCVHVLDHBLI-LLVKDONJSA-N 3 1 254.378 -0.475 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219934697 824916350 /nfs/dbraw/zinc/91/63/50/824916350.db2.gz IJATXHPTHPAOKI-NSHDSACASA-N 3 1 263.345 -0.883 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219931254 824916973 /nfs/dbraw/zinc/91/69/73/824916973.db2.gz NPFAAGIWDFKVIA-ZDUSSCGKSA-N 3 1 291.399 -0.159 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001219934722 824917304 /nfs/dbraw/zinc/91/73/04/824917304.db2.gz JMDIMOBPNZVZHX-GFCCVEGCSA-N 2 1 251.334 -0.611 20 0 CBADMP NC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CC[NH3+])cc1 ZINC001219961840 824924422 /nfs/dbraw/zinc/92/44/22/824924422.db2.gz YTRZTLRPGQNCCH-JTQLQIEISA-N 2 1 250.302 -0.922 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCn1cccc1 ZINC001219970338 824925836 /nfs/dbraw/zinc/92/58/36/824925836.db2.gz YMTFGAJBVLQIII-UHFFFAOYSA-N 2 1 250.346 -0.054 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001219978591 824928349 /nfs/dbraw/zinc/92/83/49/824928349.db2.gz PIZXTPWWBXPPAJ-RYUDHWBXSA-N 3 1 256.394 -0.099 20 0 CBADMP COC(=O)[C@@H](N)CC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001219980925 824929131 /nfs/dbraw/zinc/92/91/31/824929131.db2.gz RFAIGTRUJHBCNJ-QWRGUYRKSA-N 2 1 271.361 -0.275 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2[NH2+]CC[C@H]2O)C1 ZINC001219980528 824929836 /nfs/dbraw/zinc/92/98/36/824929836.db2.gz KIGXCSDOBNTWLY-TUAOUCFPSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001219980992 824929869 /nfs/dbraw/zinc/92/98/69/824929869.db2.gz SYLYNGDJAUJNER-GXTWGEPZSA-N 2 1 268.405 -0.085 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC001219981111 824930102 /nfs/dbraw/zinc/93/01/02/824930102.db2.gz XITADUQXTJOCGN-IJLUTSLNSA-N 2 1 255.362 -0.585 20 0 CBADMP COCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011529 824934627 /nfs/dbraw/zinc/93/46/27/824934627.db2.gz VVEFKMRSLPOBLB-OLZOCXBDSA-N 2 1 296.371 -0.611 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011529 824934634 /nfs/dbraw/zinc/93/46/34/824934634.db2.gz VVEFKMRSLPOBLB-OLZOCXBDSA-N 2 1 296.371 -0.611 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)n1ccc(C[NH3+])cc1=N ZINC001220045055 824942479 /nfs/dbraw/zinc/94/24/79/824942479.db2.gz JZDDPHJPQGYKBW-VIFPVBQESA-N 2 1 266.301 -0.653 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)CNCC[NH3+] ZINC001220061655 824947654 /nfs/dbraw/zinc/94/76/54/824947654.db2.gz BIOOFEAUXSUDDN-LBPRGKRZSA-N 2 1 256.394 -0.085 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220071356 824950668 /nfs/dbraw/zinc/95/06/68/824950668.db2.gz BSCHEZWCZJTYSP-SDDRHHMPSA-N 2 1 275.356 -0.462 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)CN1CC[NH2+]CC1 ZINC001220071723 824951179 /nfs/dbraw/zinc/95/11/79/824951179.db2.gz OMSJBSHPKUPLEA-UHFFFAOYSA-N 2 1 263.345 -0.506 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220071887 824951415 /nfs/dbraw/zinc/95/14/15/824951415.db2.gz VZHPNJUICKOKEA-ZJUUUORDSA-N 2 1 250.302 -0.831 20 0 CBADMP CCOC(=O)C(F)(F)CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220097143 824954362 /nfs/dbraw/zinc/95/43/62/824954362.db2.gz QNUPXGPNIOFYFM-UHFFFAOYSA-N 2 1 293.314 -0.357 20 0 CBADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220103074 824954616 /nfs/dbraw/zinc/95/46/16/824954616.db2.gz FODWICYBBAYCHX-NSHDSACASA-N 3 1 296.419 -0.678 20 0 CBADMP NC[C@@H]([NH3+])c1ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc1 ZINC001220103136 824954778 /nfs/dbraw/zinc/95/47/78/824954778.db2.gz HXRSZTRVVKHADG-GFCCVEGCSA-N 3 1 292.387 -0.280 20 0 CBADMP NC(=[NH2+])N(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccccc1F ZINC001220106369 824956696 /nfs/dbraw/zinc/95/66/96/824956696.db2.gz LCXHRMRKZZIZCH-VXNVDRBHSA-N 2 1 266.276 -0.225 20 0 CBADMP Cn1cc2cccc(CNC(=O)[C@@H]([NH3+])CC[NH3+])c2n1 ZINC001220143558 824966396 /nfs/dbraw/zinc/96/63/96/824966396.db2.gz MVNSBLQLFJGBEJ-NSHDSACASA-N 2 1 261.329 -0.134 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001220158769 824972305 /nfs/dbraw/zinc/97/23/05/824972305.db2.gz HTNFTAJDVQKJJI-QWRGUYRKSA-N 2 1 268.361 -0.854 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001220157181 824972624 /nfs/dbraw/zinc/97/26/24/824972624.db2.gz ZRMBDGXFVQLHNL-MBNYWOFBSA-N 3 1 266.389 -0.604 20 0 CBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC1C[NH+](C(C)C)C1 ZINC001220159004 824973022 /nfs/dbraw/zinc/97/30/22/824973022.db2.gz LEXFVGLOEJXQKB-GWCFXTLKSA-N 2 1 284.404 -0.315 20 0 CBADMP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC[S@](C)=O)C1 ZINC001220160406 824974280 /nfs/dbraw/zinc/97/42/80/824974280.db2.gz YXJTVWHXLKYYCI-YMNVWFMLSA-N 2 1 261.391 -0.707 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC[S@](C)=O)C1 ZINC001220160406 824974283 /nfs/dbraw/zinc/97/42/83/824974283.db2.gz YXJTVWHXLKYYCI-YMNVWFMLSA-N 2 1 261.391 -0.707 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1 ZINC001220159652 824974300 /nfs/dbraw/zinc/97/43/00/824974300.db2.gz PWOFSKXIWNCUOP-WCFLWFBJSA-N 2 1 267.373 -0.038 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220159403 824974831 /nfs/dbraw/zinc/97/48/31/824974831.db2.gz OHZBQYBWQLWESH-GFCCVEGCSA-N 3 1 254.378 -0.478 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001220161586 824974922 /nfs/dbraw/zinc/97/49/22/824974922.db2.gz DHKMWSDXOKYIHI-ZJQBRPOHSA-N 2 1 266.389 -0.286 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220160276 824975028 /nfs/dbraw/zinc/97/50/28/824975028.db2.gz WQHLDMVBJDWHAD-LLVKDONJSA-N 3 1 252.362 -0.996 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1cc(OC2COC2)ccn1 ZINC001220183511 824981395 /nfs/dbraw/zinc/98/13/95/824981395.db2.gz RBUUBVAROBWRHX-LBPRGKRZSA-N 2 1 280.328 -0.849 20 0 CBADMP CC(C)(C)[C@H](CO)NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220217201 824987238 /nfs/dbraw/zinc/98/72/38/824987238.db2.gz PTLUTWHJUYSNLB-NSHDSACASA-N 2 1 257.378 -0.149 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220237712 824990375 /nfs/dbraw/zinc/99/03/75/824990375.db2.gz BSUBFOAENMEGTR-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220237713 824990580 /nfs/dbraw/zinc/99/05/80/824990580.db2.gz BSUBFOAENMEGTR-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229140 824991030 /nfs/dbraw/zinc/99/10/30/824991030.db2.gz OYGCOJNMAGLJCF-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCc1nnc[nH]1 ZINC001220249933 824994209 /nfs/dbraw/zinc/99/42/09/824994209.db2.gz HUWJGQFQDAZLHB-VIFPVBQESA-N 2 1 254.338 -0.520 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)NCC[C@H]1CCC[N@@H+]1C ZINC001220251678 824994426 /nfs/dbraw/zinc/99/44/26/824994426.db2.gz BMHZYOVLNXPQJL-MNOVXSKESA-N 2 1 257.334 -0.523 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220251804 824995754 /nfs/dbraw/zinc/99/57/54/824995754.db2.gz FYTNKMJKHXIOCQ-STQMWFEESA-N 3 1 268.405 -0.086 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220252023 824996347 /nfs/dbraw/zinc/99/63/47/824996347.db2.gz LUJJLOLOERRUMP-NWDGAFQWSA-N 3 1 266.389 -0.604 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N(CC[NH3+])c1cccnc1 ZINC001220260589 824997792 /nfs/dbraw/zinc/99/77/92/824997792.db2.gz ABBJQQINHPGUMD-NSHDSACASA-N 2 1 266.301 -0.736 20 0 CBADMP COCCn1cncc1CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220274422 825001308 /nfs/dbraw/zinc/00/13/08/825001308.db2.gz BUCAHTGYYIGTJZ-UHFFFAOYSA-N 2 1 295.387 -0.513 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273338 825001678 /nfs/dbraw/zinc/00/16/78/825001678.db2.gz ICMZYMMGZHTMCO-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220276508 825003643 /nfs/dbraw/zinc/00/36/43/825003643.db2.gz CUHIAOKAMZRULM-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001220276874 825004153 /nfs/dbraw/zinc/00/41/53/825004153.db2.gz MBOLENDQPPZHFN-KGLIPLIRSA-N 2 1 299.415 -0.332 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316891 825013364 /nfs/dbraw/zinc/01/33/64/825013364.db2.gz UMJBYDSKNMAEMN-MBNYWOFBSA-N 2 1 293.371 -0.693 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355396 825019497 /nfs/dbraw/zinc/01/94/97/825019497.db2.gz OFJCDCZMBZYBND-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355396 825019503 /nfs/dbraw/zinc/01/95/03/825019503.db2.gz OFJCDCZMBZYBND-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355396 825019505 /nfs/dbraw/zinc/01/95/05/825019505.db2.gz OFJCDCZMBZYBND-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220352244 825019756 /nfs/dbraw/zinc/01/97/56/825019756.db2.gz ZWWROBAOFIDKQY-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220352244 825019760 /nfs/dbraw/zinc/01/97/60/825019760.db2.gz ZWWROBAOFIDKQY-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220352244 825019764 /nfs/dbraw/zinc/01/97/64/825019764.db2.gz ZWWROBAOFIDKQY-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCC12CC[NH+](CC1)CC2 ZINC001220395070 825027896 /nfs/dbraw/zinc/02/78/96/825027896.db2.gz UNHFPPIVEGIWAE-UHFFFAOYSA-N 3 1 280.416 -0.070 20 0 CBADMP O=C(NCC12CC[NH+](CC1)CC2)[C@@H]1COCC[NH2+]1 ZINC001220394286 825028387 /nfs/dbraw/zinc/02/83/87/825028387.db2.gz CYJKRTWMBRCOFM-NSHDSACASA-N 2 1 253.346 -0.423 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)NCC23CC[NH+](CC2)CC3)C1 ZINC001220394298 825029018 /nfs/dbraw/zinc/02/90/18/825029018.db2.gz DHWFWPPPRINTET-MNOVXSKESA-N 2 1 252.362 -0.722 20 0 CBADMP O=C(NC1CC[NH+](CCF)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC001220436235 825038104 /nfs/dbraw/zinc/03/81/04/825038104.db2.gz SIXKQJFVZYHJAK-QWRGUYRKSA-N 2 1 259.325 -0.883 20 0 CBADMP O=C(NC1CC[NH+](CCF)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220436420 825040256 /nfs/dbraw/zinc/04/02/56/825040256.db2.gz VYCILFHGHYINMB-IUODEOHRSA-N 3 1 298.406 -0.264 20 0 CBADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571474 825066732 /nfs/dbraw/zinc/06/67/32/825066732.db2.gz RYKDTZZOFYWJPQ-VXGBXAGGSA-N 2 1 267.373 -0.177 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571473 825066754 /nfs/dbraw/zinc/06/67/54/825066754.db2.gz RYKDTZZOFYWJPQ-RYUDHWBXSA-N 2 1 267.373 -0.177 20 0 CBADMP O=C(C=C1CC[NH2+]CC1)NCC[NH+]1CC2(COC2)C1 ZINC001220571506 825067256 /nfs/dbraw/zinc/06/72/56/825067256.db2.gz SLDIQMYSFPZOSR-UHFFFAOYSA-N 2 1 265.357 -0.255 20 0 CBADMP O=C(C[C@H]1CCC[NH2+]C1)NCC[NH+]1CC2(COC2)C1 ZINC001220571493 825067267 /nfs/dbraw/zinc/06/72/67/825067267.db2.gz SHSIXPMCJBBWLI-GFCCVEGCSA-N 2 1 267.373 -0.176 20 0 CBADMP COC(=O)[C@@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)C(F)(F)F ZINC001220587974 825072222 /nfs/dbraw/zinc/07/22/22/825072222.db2.gz MKELFBRRIULEAD-SECBINFHSA-N 2 1 297.277 -0.452 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001220680911 825083802 /nfs/dbraw/zinc/08/38/02/825083802.db2.gz AKDYZTHWNIHKSV-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)Nc1cccnc1C[NH3+] ZINC001220710804 825090728 /nfs/dbraw/zinc/09/07/28/825090728.db2.gz CHKPBUIZASYRBI-QMMMGPOBSA-N 2 1 252.274 -0.631 20 0 CBADMP 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 825093046 /nfs/dbraw/zinc/09/30/46/825093046.db2.gz PHJNNXNBEAJUQF-WJTVCTBASA-N 2 1 267.373 -0.159 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1O)C2 ZINC001220716827 825093734 /nfs/dbraw/zinc/09/37/34/825093734.db2.gz SGYWAQSNOWUJBT-UJPOAAIJSA-N 2 1 267.373 -0.302 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1[NH2+]CC[C@H]1O)C2 ZINC001220716636 825093839 /nfs/dbraw/zinc/09/38/39/825093839.db2.gz MONFITBHILHZIV-LBELIVKGSA-N 2 1 267.373 -0.159 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)NC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001220743880 825095448 /nfs/dbraw/zinc/09/54/48/825095448.db2.gz UCIBZACUIPBHIM-RISCZKNCSA-N 2 1 289.383 -0.144 20 0 CBADMP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3COCC[NH2+]3)(C1)CCC2 ZINC001220778632 825101412 /nfs/dbraw/zinc/10/14/12/825101412.db2.gz AIXOKCXAFAPRSC-WCFLWFBJSA-N 2 1 253.346 -0.105 20 0 CBADMP CCOC(=O)C1=C(NC(=O)[C@@H]2CSC[NH2+]2)C[NH2+]C1 ZINC001220827093 825106586 /nfs/dbraw/zinc/10/65/86/825106586.db2.gz HDTSBLUWIWBZPO-VIFPVBQESA-N 2 1 271.342 -0.815 20 0 CBADMP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])c2cccnc2)C[NH2+]C1 ZINC001220825532 825107247 /nfs/dbraw/zinc/10/72/47/825107247.db2.gz LBLSWBQXCRGRNM-GFCCVEGCSA-N 2 1 290.323 -0.382 20 0 CBADMP CCOC(=O)C1=C(NC(=O)c2cnc(C[NH3+])s2)C[NH2+]C1 ZINC001220831863 825109410 /nfs/dbraw/zinc/10/94/10/825109410.db2.gz KTQMOZYOHSEJED-UHFFFAOYSA-N 2 1 296.352 -0.248 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)COC)C[C@@H]1O ZINC001220830562 825109807 /nfs/dbraw/zinc/10/98/07/825109807.db2.gz BZFRNUWDUJDPRO-XQQFMLRXSA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@@H]1O ZINC001220830562 825109811 /nfs/dbraw/zinc/10/98/11/825109811.db2.gz BZFRNUWDUJDPRO-XQQFMLRXSA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@@H]1O ZINC001220830562 825109812 /nfs/dbraw/zinc/10/98/12/825109812.db2.gz BZFRNUWDUJDPRO-XQQFMLRXSA-N 2 1 287.404 -0.476 20 0 CBADMP CCOC(=O)[C@@H](C)CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220848824 825111823 /nfs/dbraw/zinc/11/18/23/825111823.db2.gz JTCUAOPMOQZOTR-JTQLQIEISA-N 2 1 271.361 -0.357 20 0 CBADMP CC1(C)C[NH2+][C@@](C)(C(=O)NCCN2CC[NH2+]CC2=O)C1 ZINC001220872278 825116572 /nfs/dbraw/zinc/11/65/72/825116572.db2.gz RRLMURGCQHRFNO-CQSZACIVSA-N 2 1 282.388 -0.687 20 0 CBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC001220889222 825121395 /nfs/dbraw/zinc/12/13/95/825121395.db2.gz GDDBFMGWGMCVHN-RYUDHWBXSA-N 2 1 268.405 -0.073 20 0 CBADMP O=C(N[C@H]1CC[N@H+](Cc2cccnc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC001220914819 825123801 /nfs/dbraw/zinc/12/38/01/825123801.db2.gz BMVZWOOJJMTZCJ-IHRRRGAJSA-N 2 1 290.367 -0.648 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](Cc2cccnc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC001220914819 825123804 /nfs/dbraw/zinc/12/38/04/825123804.db2.gz BMVZWOOJJMTZCJ-IHRRRGAJSA-N 2 1 290.367 -0.648 20 0 CBADMP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001220914876 825124774 /nfs/dbraw/zinc/12/47/74/825124774.db2.gz DJKXTPQHVQEWBH-UONOGXRCSA-N 3 1 291.399 -0.162 20 0 CBADMP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001220914876 825124783 /nfs/dbraw/zinc/12/47/83/825124783.db2.gz DJKXTPQHVQEWBH-UONOGXRCSA-N 3 1 291.399 -0.162 20 0 CBADMP [NH3+]Cc1ncc(C(=O)NCCO[C@H]2CC[NH2+]C2)s1 ZINC001220936870 825127076 /nfs/dbraw/zinc/12/70/76/825127076.db2.gz JPPDEYXYERWSAF-QMMMGPOBSA-N 2 1 270.358 -0.290 20 0 CBADMP CCc1nnc2ccc(CNC(=O)[C@@H]([NH3+])CC[NH3+])cn21 ZINC001220992116 825131621 /nfs/dbraw/zinc/13/16/21/825131621.db2.gz DYZRWEGQNRGQQM-JTQLQIEISA-N 2 1 276.344 -0.416 20 0 CBADMP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978132 825132552 /nfs/dbraw/zinc/13/25/52/825132552.db2.gz NUQYISBKMBRGHS-MCIONIFRSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978132 825132555 /nfs/dbraw/zinc/13/25/55/825132555.db2.gz NUQYISBKMBRGHS-MCIONIFRSA-N 2 1 299.415 -0.596 20 0 CBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221073169 825142225 /nfs/dbraw/zinc/14/22/25/825142225.db2.gz JINDILSRCIFSEC-OLZOCXBDSA-N 2 1 285.388 -0.984 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091775 825143690 /nfs/dbraw/zinc/14/36/90/825143690.db2.gz WUEPHZZCFDRKDR-HZSPNIEDSA-N 2 1 299.415 -0.740 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091775 825143691 /nfs/dbraw/zinc/14/36/91/825143691.db2.gz WUEPHZZCFDRKDR-HZSPNIEDSA-N 2 1 299.415 -0.740 20 0 CBADMP COCCC1([NH3+])CCN(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC1 ZINC001221134174 825146385 /nfs/dbraw/zinc/14/63/85/825146385.db2.gz OHNPCGUDALKMKG-MNOVXSKESA-N 2 1 270.377 -0.968 20 0 CBADMP CC(C)(C)[NH+]1CC(NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001221193538 825152630 /nfs/dbraw/zinc/15/26/30/825152630.db2.gz BTDAKHZCQFUYCB-QMTHXVAHSA-N 2 1 266.389 -0.463 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N[C@]1(C)CCC[N@H+](C)C1 ZINC001221241187 825158091 /nfs/dbraw/zinc/15/80/91/825158091.db2.gz QCVDPHGTGALXJJ-GXFFZTMASA-N 2 1 271.361 -0.133 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001221241187 825158095 /nfs/dbraw/zinc/15/80/95/825158095.db2.gz QCVDPHGTGALXJJ-GXFFZTMASA-N 2 1 271.361 -0.133 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001221241113 825158624 /nfs/dbraw/zinc/15/86/24/825158624.db2.gz OGIPMIOMROYORU-WFASDCNBSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC[S@](C)=O)C1 ZINC001221254757 825161748 /nfs/dbraw/zinc/16/17/48/825161748.db2.gz SFHDIOZURJBVMU-YMNVWFMLSA-N 2 1 261.391 -0.850 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001221254360 825161754 /nfs/dbraw/zinc/16/17/54/825161754.db2.gz MPFBRLJNPGTZNW-RYUDHWBXSA-N 3 1 256.394 -0.099 20 0 CBADMP [NH3+]CCCNCC(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221248211 825162660 /nfs/dbraw/zinc/16/26/60/825162660.db2.gz NPRDFZITRRBCMU-CQSZACIVSA-N 2 1 268.405 -0.037 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367136 825176240 /nfs/dbraw/zinc/17/62/40/825176240.db2.gz XQDFIEYLSBAHOF-OPRDCNLKSA-N 2 1 255.297 -0.904 20 0 CBADMP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)c1 ZINC001221402710 825182598 /nfs/dbraw/zinc/18/25/98/825182598.db2.gz CTQHZEYYUYAOLU-WXHSDQCUSA-N 2 1 278.356 -0.500 20 0 CBADMP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)c1 ZINC001221402708 825182870 /nfs/dbraw/zinc/18/28/70/825182870.db2.gz CTQHZEYYUYAOLU-KGYLQXTDSA-N 2 1 278.356 -0.500 20 0 CBADMP C[C@]1(C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)COCC[NH2+]1 ZINC001221410797 825185548 /nfs/dbraw/zinc/18/55/48/825185548.db2.gz RKXAZRLLKBYJIU-GXTWGEPZSA-N 2 1 267.373 -0.131 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)[C@@H](C)C1 ZINC001221409881 825185667 /nfs/dbraw/zinc/18/56/67/825185667.db2.gz VLYXPNZIGUPLRY-CYDGBPFRSA-N 2 1 269.389 -0.056 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773063 825193803 /nfs/dbraw/zinc/19/38/03/825193803.db2.gz WOMRQSDZSCUSKB-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773063 825193808 /nfs/dbraw/zinc/19/38/08/825193808.db2.gz WOMRQSDZSCUSKB-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP COC(=O)CCCN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491805 825212292 /nfs/dbraw/zinc/21/22/92/825212292.db2.gz JAQNVYOVYWXWCU-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP c1c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)nc2n1CCNC2 ZINC001222497551 825212959 /nfs/dbraw/zinc/21/29/59/825212959.db2.gz PCXKBACOIDIVNL-KBPBESRZSA-N 2 1 290.415 -0.488 20 0 CBADMP CN1CCN(C(=O)CO[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)CC1 ZINC001222537040 825214001 /nfs/dbraw/zinc/21/40/01/825214001.db2.gz NGMNYXRSHGTICN-IACUBPJLSA-N 2 1 295.383 -0.419 20 0 CBADMP CN1[C@@H]2C[C@@H](OCC(=O)N3CCN(C)CC3)[C@H]1CC(=O)C2 ZINC001222537040 825214018 /nfs/dbraw/zinc/21/40/18/825214018.db2.gz NGMNYXRSHGTICN-IACUBPJLSA-N 2 1 295.383 -0.419 20 0 CBADMP CO[C@@H]1CC[N@H+](CCOCC(=O)N2CC[NH+](C)CC2)C1 ZINC001222542260 825215908 /nfs/dbraw/zinc/21/59/08/825215908.db2.gz CIRXZMDAEWBMME-CYBMUJFWSA-N 2 1 285.388 -0.502 20 0 CBADMP CO[C@@H]1CC[N@@H+](CCOCC(=O)N2CC[NH+](C)CC2)C1 ZINC001222542260 825215914 /nfs/dbraw/zinc/21/59/14/825215914.db2.gz CIRXZMDAEWBMME-CYBMUJFWSA-N 2 1 285.388 -0.502 20 0 CBADMP C([C@@H]1COCC[NH2+]1)N1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001222667626 825220488 /nfs/dbraw/zinc/22/04/88/825220488.db2.gz GARIRCPMNVADNS-ZIAGYGMSSA-N 2 1 268.405 -0.608 20 0 CBADMP C(CN1CCNC[C@@]2(CCCC[NH2+]2)C1)[C@H]1C[NH2+]CCO1 ZINC001222668858 825220921 /nfs/dbraw/zinc/22/09/21/825220921.db2.gz NWNFICPIFGIDQI-GJZGRUSLSA-N 2 1 282.432 -0.218 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001223721510 825231896 /nfs/dbraw/zinc/23/18/96/825231896.db2.gz KPPRDADXZIKBHC-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001223721510 825231907 /nfs/dbraw/zinc/23/19/07/825231907.db2.gz KPPRDADXZIKBHC-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(N)=O)[C@H]2C1 ZINC001223838512 825232888 /nfs/dbraw/zinc/23/28/88/825232888.db2.gz KGISPLLRRPYGAN-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(N)=O)[C@H]2C1 ZINC001223838512 825232897 /nfs/dbraw/zinc/23/28/97/825232897.db2.gz KGISPLLRRPYGAN-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001223838512 825232905 /nfs/dbraw/zinc/23/29/05/825232905.db2.gz KGISPLLRRPYGAN-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001223838512 825232916 /nfs/dbraw/zinc/23/29/16/825232916.db2.gz KGISPLLRRPYGAN-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001226554801 825280835 /nfs/dbraw/zinc/28/08/35/825280835.db2.gz QNSWLWDUMRLHAY-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001226554801 825280841 /nfs/dbraw/zinc/28/08/41/825280841.db2.gz QNSWLWDUMRLHAY-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001227807233 825307883 /nfs/dbraw/zinc/30/78/83/825307883.db2.gz OIIBKJAXKVSWEW-LLVKDONJSA-N 2 1 296.415 -0.075 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228889031 825323172 /nfs/dbraw/zinc/32/31/72/825323172.db2.gz PRHAXSNJVGDFHC-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228895360 825323779 /nfs/dbraw/zinc/32/37/79/825323779.db2.gz LTVAVOSXDNDQQW-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)CCCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001228889072 825323799 /nfs/dbraw/zinc/32/37/99/825323799.db2.gz RDGYNOSONOFWKI-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP Cn1nncc1C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228991411 825326447 /nfs/dbraw/zinc/32/64/47/825326447.db2.gz FRQODZBHRPCDLI-UHFFFAOYSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[C@@H](C(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1)[NH+](C)C ZINC001229233345 825330265 /nfs/dbraw/zinc/33/02/65/825330265.db2.gz HOQUYCLLCUAJDH-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](O)C[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001229625230 825335049 /nfs/dbraw/zinc/33/50/49/825335049.db2.gz AQCRLDSHVYHNBD-ZDUSSCGKSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138232 825343405 /nfs/dbraw/zinc/34/34/05/825343405.db2.gz LHNVOHVLVNKIMY-JHJVBQTASA-N 2 1 296.415 -0.299 20 0 CBADMP CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230262849 825343981 /nfs/dbraw/zinc/34/39/81/825343981.db2.gz VRHAHBDMPJJOLJ-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230262849 825343993 /nfs/dbraw/zinc/34/39/93/825343993.db2.gz VRHAHBDMPJJOLJ-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)CCN1CC[NH+](Cc2c[nH]c(=O)[nH]c2=O)CC1 ZINC001231702267 825413271 /nfs/dbraw/zinc/41/32/71/825413271.db2.gz QVPFFLAFEKQZCK-UHFFFAOYSA-N 2 1 281.360 -0.433 20 0 CBADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cn(C)c(=O)n(C)c3=O)C[C@H]2C1 ZINC001231770942 825416119 /nfs/dbraw/zinc/41/61/19/825416119.db2.gz ARCOSTATYBPFMY-VXGBXAGGSA-N 2 1 292.383 -0.533 20 0 CBADMP C(C[N@@H+]1CCN2CCNC[C@H]2C1)C1CC[NH2+]CC1 ZINC001234976799 825478846 /nfs/dbraw/zinc/47/88/46/825478846.db2.gz WKFXIQOTYJVSCC-AWEZNQCLSA-N 2 1 252.406 -0.035 20 0 CBADMP C(C[N@H+]1CCN2CCNC[C@H]2C1)C1CC[NH2+]CC1 ZINC001234976799 825478851 /nfs/dbraw/zinc/47/88/51/825478851.db2.gz WKFXIQOTYJVSCC-AWEZNQCLSA-N 2 1 252.406 -0.035 20 0 CBADMP CC1(C)[NH2+]C[C@@H](CN2CC[NH2+]C[C@]23CC[NH2+]C3)O1 ZINC001234981896 825479555 /nfs/dbraw/zinc/47/95/55/825479555.db2.gz PTYOICGIPBOAPV-WCQYABFASA-N 3 1 254.378 -0.652 20 0 CBADMP COC(=O)c1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cn1C ZINC001234986991 825479612 /nfs/dbraw/zinc/47/96/12/825479612.db2.gz LVMUOLMCRDDBGY-OAHLLOKOSA-N 2 1 292.383 -0.051 20 0 CBADMP C(c1nc2c(s1)C[NH2+]CC2)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234986722 825479675 /nfs/dbraw/zinc/47/96/75/825479675.db2.gz CAAXRGCUXVGJCM-AWEZNQCLSA-N 3 1 293.440 -0.074 20 0 CBADMP c1nc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc2c1OCCO2 ZINC001234989409 825479713 /nfs/dbraw/zinc/47/97/13/825479713.db2.gz PCFGSWKGNHJZMI-HNNXBMFYSA-N 2 1 290.367 -0.010 20 0 CBADMP COc1cnc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cn1 ZINC001234988083 825479874 /nfs/dbraw/zinc/47/98/74/825479874.db2.gz KPYVQMPVOWTRHP-ZDUSSCGKSA-N 2 1 263.345 -0.378 20 0 CBADMP C(CC1OCCO1)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234980278 825479939 /nfs/dbraw/zinc/47/99/39/825479939.db2.gz JLMLQOPIJSIFQZ-ZDUSSCGKSA-N 2 1 255.362 -0.223 20 0 CBADMP C[NH+]1CCC(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)CC1 ZINC001234982276 825480101 /nfs/dbraw/zinc/48/01/01/825480101.db2.gz RXCNMQQSWMULGD-AWEZNQCLSA-N 3 1 252.406 -0.035 20 0 CBADMP CCOC(=O)c1n[nH]cc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234985771 825480373 /nfs/dbraw/zinc/48/03/73/825480373.db2.gz FUNFKEOLESQFNQ-AWEZNQCLSA-N 2 1 293.371 -0.276 20 0 CBADMP O=C1N=CNC(=O)C1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234985556 825480806 /nfs/dbraw/zinc/48/08/06/825480806.db2.gz BZVCFFNCRHSCRR-GFCCVEGCSA-N 2 1 265.317 -0.975 20 0 CBADMP FC1(CN2CC[NH2+]C[C@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC001234978988 825481019 /nfs/dbraw/zinc/48/10/19/825481019.db2.gz CNKFRAHNQIVBFB-CYBMUJFWSA-N 3 1 256.369 -0.285 20 0 CBADMP C[N@H+]1CCC[C@@H](CN2CCNC[C@@]23CC[NH2+]C3)C1 ZINC001234982550 825481256 /nfs/dbraw/zinc/48/12/56/825481256.db2.gz UUFVTJFXFGQOSE-KGLIPLIRSA-N 2 1 252.406 -0.035 20 0 CBADMP C[N@@H+]1CCC[C@@H](CN2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001234982550 825481259 /nfs/dbraw/zinc/48/12/59/825481259.db2.gz UUFVTJFXFGQOSE-KGLIPLIRSA-N 3 1 252.406 -0.035 20 0 CBADMP C[N@H+]1CCC[C@@H](CN2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001234982550 825481261 /nfs/dbraw/zinc/48/12/61/825481261.db2.gz UUFVTJFXFGQOSE-KGLIPLIRSA-N 3 1 252.406 -0.035 20 0 CBADMP Nc1ccnc(F)c1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234991355 825482512 /nfs/dbraw/zinc/48/25/12/825482512.db2.gz GXQWNHDBBDNUKM-ZDUSSCGKSA-N 2 1 265.336 -0.060 20 0 CBADMP Nc1ncnc(Cl)c1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234991133 825482813 /nfs/dbraw/zinc/48/28/13/825482813.db2.gz VXKNXKBFRVMPLK-LBPRGKRZSA-N 2 1 282.779 -0.151 20 0 CBADMP CC(=O)N1CCC[C@@H](C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001235053525 825484879 /nfs/dbraw/zinc/48/48/79/825484879.db2.gz UJNRSLFKXKEWQD-GJZGRUSLSA-N 2 1 280.416 -0.118 20 0 CBADMP C(C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[NH2+]CCO1 ZINC001235054197 825485469 /nfs/dbraw/zinc/48/54/69/825485469.db2.gz VEGOULSFCXMUOO-CHWSQXEVSA-N 3 1 254.378 -0.998 20 0 CBADMP C(C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[NH2+]CCO1 ZINC001235054197 825485473 /nfs/dbraw/zinc/48/54/73/825485473.db2.gz VEGOULSFCXMUOO-CHWSQXEVSA-N 3 1 254.378 -0.998 20 0 CBADMP C[N@H+]1CCC[C@H](CN2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001235056318 825485582 /nfs/dbraw/zinc/48/55/82/825485582.db2.gz XSVJHPYNQCLGHY-KBPBESRZSA-N 2 1 252.406 -0.035 20 0 CBADMP CCOC(=O)[C@H]1C[C@@H]2CN(C[C@@H]3C[NH2+]C(C)(C)O3)C[C@@H]2[NH2+]1 ZINC001235267985 825490767 /nfs/dbraw/zinc/49/07/67/825490767.db2.gz JGNANUWDRKSJOQ-XQHKEYJVSA-N 2 1 297.399 -0.064 20 0 CBADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](CCCO)C2 ZINC001235331027 825492597 /nfs/dbraw/zinc/49/25/97/825492597.db2.gz SYTIQYNRGHFDPL-CZXHOFHRSA-N 2 1 268.357 -0.301 20 0 CBADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](CCN)C2 ZINC001235336053 825494358 /nfs/dbraw/zinc/49/43/58/825494358.db2.gz CLLBBNFNZBFLHW-XZUYRWCXSA-N 2 1 253.346 -0.724 20 0 CBADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](CCN)C2 ZINC001235336053 825494354 /nfs/dbraw/zinc/49/43/54/825494354.db2.gz CLLBBNFNZBFLHW-XZUYRWCXSA-N 2 1 253.346 -0.724 20 0 CBADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](CC[NH3+])C2 ZINC001235336053 825494363 /nfs/dbraw/zinc/49/43/63/825494363.db2.gz CLLBBNFNZBFLHW-XZUYRWCXSA-N 3 1 253.346 -0.724 20 0 CBADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](CC[NH3+])C2 ZINC001235336053 825494365 /nfs/dbraw/zinc/49/43/65/825494365.db2.gz CLLBBNFNZBFLHW-XZUYRWCXSA-N 3 1 253.346 -0.724 20 0 CBADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1CN1CC[NH2+]C[C@H]1CO ZINC001235443375 825496617 /nfs/dbraw/zinc/49/66/17/825496617.db2.gz MZYLKTATQRDGQP-VWYCJHECSA-N 2 1 263.332 -0.257 20 0 CBADMP [NH3+]CC[N@@H+]1C[C@@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC001235471487 825497661 /nfs/dbraw/zinc/49/76/61/825497661.db2.gz FZXADOQICYLWMV-ZDUSSCGKSA-N 2 1 297.399 -0.468 20 0 CBADMP [NH3+]CC[N@H+]1C[C@@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC001235471487 825497663 /nfs/dbraw/zinc/49/76/63/825497663.db2.gz FZXADOQICYLWMV-ZDUSSCGKSA-N 2 1 297.399 -0.468 20 0 CBADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC001235523339 825501778 /nfs/dbraw/zinc/50/17/78/825501778.db2.gz XBUNUTQVVKSLIP-MROQNXINSA-N 2 1 284.404 -0.058 20 0 CBADMP C[C@@H]([NH3+])C[N@H+]1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC001235523339 825501785 /nfs/dbraw/zinc/50/17/85/825501785.db2.gz XBUNUTQVVKSLIP-MROQNXINSA-N 2 1 284.404 -0.058 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001235545251 825503635 /nfs/dbraw/zinc/50/36/35/825503635.db2.gz AQCGLTZJWIYWHF-CHWSQXEVSA-N 2 1 285.388 -0.910 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001235545251 825503637 /nfs/dbraw/zinc/50/36/37/825503637.db2.gz AQCGLTZJWIYWHF-CHWSQXEVSA-N 2 1 285.388 -0.910 20 0 CBADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001235545251 825503641 /nfs/dbraw/zinc/50/36/41/825503641.db2.gz AQCGLTZJWIYWHF-CHWSQXEVSA-N 2 1 285.388 -0.910 20 0 CBADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001235545251 825503645 /nfs/dbraw/zinc/50/36/45/825503645.db2.gz AQCGLTZJWIYWHF-CHWSQXEVSA-N 2 1 285.388 -0.910 20 0 CBADMP CC(=O)N1CCO[C@]2(C1)COCC[N@@H+](CCCC[NH3+])C2 ZINC001235628813 825508087 /nfs/dbraw/zinc/50/80/87/825508087.db2.gz LJNSTGGWMKOTOA-CQSZACIVSA-N 2 1 285.388 -0.325 20 0 CBADMP C([C@@H]1CCCCO1)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235869991 825515700 /nfs/dbraw/zinc/51/57/00/825515700.db2.gz LYVRROXPHMHDJB-AWEZNQCLSA-N 2 1 270.421 -0.360 20 0 CBADMP C([C@H]1CCCCO1)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235869994 825515963 /nfs/dbraw/zinc/51/59/63/825515963.db2.gz LYVRROXPHMHDJB-CQSZACIVSA-N 2 1 270.421 -0.360 20 0 CBADMP C([C@@H]1CCCO1)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235871091 825516277 /nfs/dbraw/zinc/51/62/77/825516277.db2.gz STHGPMLKSYPYCO-ZDUSSCGKSA-N 2 1 256.394 -0.750 20 0 CBADMP C(CN1CC[NH2+]CCNCC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001235870087 825516927 /nfs/dbraw/zinc/51/69/27/825516927.db2.gz NLCAUMLPURCWIG-HNNXBMFYSA-N 3 1 283.464 -0.540 20 0 CBADMP 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 825517727 /nfs/dbraw/zinc/51/77/27/825517727.db2.gz BPOVALSXBGVQPP-XNJGVTPASA-N 2 1 298.383 -0.235 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCN1C[C@H]1CCC[N@@H+](C)C1 ZINC001236053468 825520905 /nfs/dbraw/zinc/52/09/05/825520905.db2.gz WWEPEMAETSTSOY-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CCOC(=O)[C@]12C[N@H+](C[C@@H]3CCC(=O)N3)C[C@H]1C[NH2+]CC2 ZINC001236038122 825521385 /nfs/dbraw/zinc/52/13/85/825521385.db2.gz NUTOSILWDQBNAS-TYNCELHUSA-N 2 1 295.383 -0.260 20 0 CBADMP CCOC(=O)[C@]12C[N@@H+](C[C@@H]3CCC(=O)N3)C[C@H]1C[NH2+]CC2 ZINC001236038122 825521387 /nfs/dbraw/zinc/52/13/87/825521387.db2.gz NUTOSILWDQBNAS-TYNCELHUSA-N 2 1 295.383 -0.260 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cn2c(n1)C[NH2+]CC2 ZINC001236198014 825524073 /nfs/dbraw/zinc/52/40/73/825524073.db2.gz UPUSHDSXFSUGNV-ONGXEEELSA-N 2 1 279.344 -0.939 20 0 CBADMP COC(=O)[C@@H]([NH3+])[C@@H]1CCCN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236272922 825525480 /nfs/dbraw/zinc/52/54/80/825525480.db2.gz AHYSHGNWZVJFEM-WOPDTQHZSA-N 2 1 285.388 -0.077 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](CC2(C)CC[NH2+]CC2)C[C@H]1N ZINC001236340018 825526448 /nfs/dbraw/zinc/52/64/48/825526448.db2.gz GWULVILKTCXGEO-WDEREUQCSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@H]1CN(CC2(C)CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001236340018 825526451 /nfs/dbraw/zinc/52/64/51/825526451.db2.gz GWULVILKTCXGEO-WDEREUQCSA-N 2 1 255.362 -0.192 20 0 CBADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])CC[C@@H]1CCC[NH2+]C1 ZINC001236309975 825527046 /nfs/dbraw/zinc/52/70/46/825527046.db2.gz QTQLOSNOYIMICW-AWEZNQCLSA-N 4 1 299.463 -0.508 20 0 CBADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])CC[C@@H]1CCC[NH2+]C1 ZINC001236309975 825527050 /nfs/dbraw/zinc/52/70/50/825527050.db2.gz QTQLOSNOYIMICW-AWEZNQCLSA-N 4 1 299.463 -0.508 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1N ZINC001236344754 825528066 /nfs/dbraw/zinc/52/80/66/825528066.db2.gz SJXMCQMFHLXXBJ-IJLUTSLNSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC001236344754 825528071 /nfs/dbraw/zinc/52/80/71/825528071.db2.gz SJXMCQMFHLXXBJ-IJLUTSLNSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1N ZINC001236343988 825528109 /nfs/dbraw/zinc/52/81/09/825528109.db2.gz QPNMAKOZCOEJCB-VXGBXAGGSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@@H]1CN(CCC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001236343988 825528116 /nfs/dbraw/zinc/52/81/16/825528116.db2.gz QPNMAKOZCOEJCB-VXGBXAGGSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@H]1N ZINC001236346205 825530068 /nfs/dbraw/zinc/53/00/68/825530068.db2.gz YFQUHCDSPWGMJI-NWDGAFQWSA-N 2 1 255.362 -0.240 20 0 CBADMP COC(=O)[C@H]1CN(CC2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC001236346205 825530075 /nfs/dbraw/zinc/53/00/75/825530075.db2.gz YFQUHCDSPWGMJI-NWDGAFQWSA-N 2 1 255.362 -0.240 20 0 CBADMP [NH3+]CCS(=O)(=O)NCC[NH+]1CCC(F)CC1 ZINC001238760875 825562378 /nfs/dbraw/zinc/56/23/78/825562378.db2.gz OGXGNEQBSDVEAC-UHFFFAOYSA-N 2 1 253.343 -0.702 20 0 CBADMP [NH3+]CCS(=O)(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001238807128 825564537 /nfs/dbraw/zinc/56/45/37/825564537.db2.gz CPYKPHQRWJFKSH-SNVBAGLBSA-N 2 1 261.391 -0.119 20 0 CBADMP [NH3+]CCS(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001239181870 825596938 /nfs/dbraw/zinc/59/69/38/825596938.db2.gz LNEFWHBVISOLEN-QWRGUYRKSA-N 2 1 279.381 -0.217 20 0 CBADMP S=C(NCCC[NH+]1CCOCC1)N[C@H]1C[NH2+]CC12CC2 ZINC001239361316 825600312 /nfs/dbraw/zinc/60/03/12/825600312.db2.gz DCXNPOCZUJHPJH-LBPRGKRZSA-N 2 1 298.456 -0.075 20 0 CBADMP O=C1CC[NH2+]C[C@H]1NC(=S)NCC[NH+]1CCCCC1 ZINC001239377379 825601725 /nfs/dbraw/zinc/60/17/25/825601725.db2.gz KLONLSCLWJELCH-LLVKDONJSA-N 2 1 284.429 -0.133 20 0 CBADMP S=C(NCCC[NH+]1CCOCC1)N1CCC[NH2+]CC1 ZINC001239402888 825602739 /nfs/dbraw/zinc/60/27/39/825602739.db2.gz VNRFHQYYWLMINZ-UHFFFAOYSA-N 2 1 286.445 -0.122 20 0 CBADMP [NH3+][C@H]1CCN(C(=S)NCCC[NH+]2CCOCC2)C1 ZINC001239447741 825605458 /nfs/dbraw/zinc/60/54/58/825605458.db2.gz PHXYDDAZLKRPBR-NSHDSACASA-N 2 1 272.418 -0.384 20 0 CBADMP CCCOC[C@@H](O)C[NH2+]Cc1nnn2c1C[NH2+]CCC2 ZINC001245985627 825617480 /nfs/dbraw/zinc/61/74/80/825617480.db2.gz MOQYPGYEGVQYCU-NSHDSACASA-N 2 1 283.376 -0.352 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@@H+](CC2(O)CC[NH2+]CC2)CC1 ZINC001246020434 825621961 /nfs/dbraw/zinc/62/19/61/825621961.db2.gz LJNMUWGRJGJBAV-LBPRGKRZSA-N 3 1 257.378 -0.723 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCC1(F)F ZINC001246018531 825622213 /nfs/dbraw/zinc/62/22/13/825622213.db2.gz DULGGMRDOLTKNT-NEPJUHHUSA-N 2 1 293.358 -0.405 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCC1(F)F ZINC001246018531 825622221 /nfs/dbraw/zinc/62/22/21/825622221.db2.gz DULGGMRDOLTKNT-NEPJUHHUSA-N 2 1 293.358 -0.405 20 0 CBADMP [NH3+][C@H]1CCC[N@@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001246018970 825622824 /nfs/dbraw/zinc/62/28/24/825622824.db2.gz ZYFZUFLXSRCNFP-QWHCGFSZSA-N 2 1 257.378 -0.507 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246018423 825622903 /nfs/dbraw/zinc/62/29/03/825622903.db2.gz DQCXCVWQXKAPJA-ZIAGYGMSSA-N 3 1 273.421 -0.135 20 0 CBADMP CC[NH+](CC)C[C@@H](O)CN1CCC[C@](O)(C[NH3+])CC1 ZINC001246018423 825622909 /nfs/dbraw/zinc/62/29/09/825622909.db2.gz DQCXCVWQXKAPJA-ZIAGYGMSSA-N 2 1 273.421 -0.135 20 0 CBADMP CCN(CC)C[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246018423 825622915 /nfs/dbraw/zinc/62/29/15/825622915.db2.gz DQCXCVWQXKAPJA-ZIAGYGMSSA-N 2 1 273.421 -0.135 20 0 CBADMP CCN(CC)C[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246018423 825622920 /nfs/dbraw/zinc/62/29/20/825622920.db2.gz DQCXCVWQXKAPJA-ZIAGYGMSSA-N 2 1 273.421 -0.135 20 0 CBADMP OC1(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CCOCC1 ZINC001246024199 825623903 /nfs/dbraw/zinc/62/39/03/825623903.db2.gz GTRWOYLAOIGCTK-LBPRGKRZSA-N 2 1 255.362 -0.835 20 0 CBADMP CC(C)OC[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246023603 825624230 /nfs/dbraw/zinc/62/42/30/825624230.db2.gz SGLWMZIFMDZRMW-STQMWFEESA-N 2 1 260.378 -0.052 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@@H+](CC2(O)CCOCC2)CC1 ZINC001246024392 825624508 /nfs/dbraw/zinc/62/45/08/825624508.db2.gz VHLHFEMURZZVED-LBPRGKRZSA-N 2 1 258.362 -0.296 20 0 CBADMP CC[NH+](CC)C[C@@H](O)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246024408 825624660 /nfs/dbraw/zinc/62/46/60/825624660.db2.gz FQHYGNJPOWMKPJ-ZIAGYGMSSA-N 3 1 270.421 -0.674 20 0 CBADMP CCCOC[C@H](O)C[N@@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246024197 825624849 /nfs/dbraw/zinc/62/48/49/825624849.db2.gz PCOZBHLJQHHTEX-GFCCVEGCSA-N 2 1 285.388 -0.672 20 0 CBADMP CCCOC[C@H](O)C[N@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246024197 825624850 /nfs/dbraw/zinc/62/48/50/825624850.db2.gz PCOZBHLJQHHTEX-GFCCVEGCSA-N 2 1 285.388 -0.672 20 0 CBADMP COc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246025929 825625266 /nfs/dbraw/zinc/62/52/66/825625266.db2.gz YHRDPUHGMPQEAY-SLEUVZQESA-N 2 1 296.367 -0.314 20 0 CBADMP COc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246025929 825625271 /nfs/dbraw/zinc/62/52/71/825625271.db2.gz YHRDPUHGMPQEAY-SLEUVZQESA-N 2 1 296.367 -0.314 20 0 CBADMP CCCOC[C@H](O)C[N@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246027859 825625387 /nfs/dbraw/zinc/62/53/87/825625387.db2.gz YPHNIOSPBPOEIH-DOMZBBRYSA-N 2 1 297.399 -0.815 20 0 CBADMP CCCOC[C@H](O)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246032527 825627105 /nfs/dbraw/zinc/62/71/05/825627105.db2.gz YMHANYOEGJWBSA-CHWSQXEVSA-N 2 1 257.378 -0.589 20 0 CBADMP CCCCOC[C@@H](O)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246028969 825627949 /nfs/dbraw/zinc/62/79/49/825627949.db2.gz ODNITVOEQIBJFG-UONOGXRCSA-N 2 1 271.405 -0.199 20 0 CBADMP CC(C)(C)OC[C@@H](O)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246029581 825628003 /nfs/dbraw/zinc/62/80/03/825628003.db2.gz QHVUWLLSIRLZRU-JSGCOSHPSA-N 2 1 271.405 -0.200 20 0 CBADMP O[C@]1(CN2CCNC[C@@]3(CCCC[NH2+]3)C2)CC[NH2+]C1 ZINC001246030333 825628237 /nfs/dbraw/zinc/62/82/37/825628237.db2.gz RTANJPZJOYXTCU-UONOGXRCSA-N 2 1 268.405 -0.872 20 0 CBADMP CCCC[C@H](O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246052010 825630042 /nfs/dbraw/zinc/63/00/42/825630042.db2.gz AICOTQQCSSOPBX-AWEZNQCLSA-N 2 1 272.437 -0.378 20 0 CBADMP O[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1)CC1(O)CC[NH2+]CC1 ZINC001246062166 825631536 /nfs/dbraw/zinc/63/15/36/825631536.db2.gz XSWOTQQIECRSTK-KKUMJFAQSA-N 3 1 297.443 -0.074 20 0 CBADMP O[C@H](C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1)CC1(O)CC[NH2+]CC1 ZINC001246062166 825631539 /nfs/dbraw/zinc/63/15/39/825631539.db2.gz XSWOTQQIECRSTK-KKUMJFAQSA-N 3 1 297.443 -0.074 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@@H]2C)CN1 ZINC001246111962 825636018 /nfs/dbraw/zinc/63/60/18/825636018.db2.gz PSZAAHPPQSATQE-WISYIIOYSA-N 2 1 255.362 -0.132 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)CN1 ZINC001246111955 825636182 /nfs/dbraw/zinc/63/61/82/825636182.db2.gz PSZAAHPPQSATQE-BJDJZHNGSA-N 2 1 255.362 -0.132 20 0 CBADMP C[C@H]1C[C@H](NCc2cc(=O)n3c(n2)C[NH2+]CCC3)CC[NH2+]1 ZINC001246130918 825638702 /nfs/dbraw/zinc/63/87/02/825638702.db2.gz IAIRCTFZAITTNC-NWDGAFQWSA-N 2 1 291.399 -0.033 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2COCCC23C[NH2+]C3)CN1 ZINC001246137906 825638875 /nfs/dbraw/zinc/63/88/75/825638875.db2.gz JRRAVXKOKOQQQF-WOPDTQHZSA-N 2 1 283.372 -0.752 20 0 CBADMP O=C1C[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CN1 ZINC001246138249 825640460 /nfs/dbraw/zinc/64/04/60/825640460.db2.gz BAIANKWSDMAFBO-WDEREUQCSA-N 2 1 252.362 -0.661 20 0 CBADMP C[N@H+]1CCC[C@H](N[C@@]23CC[NH2+][C@H]2CC(=O)N3)CC1 ZINC001246147899 825641600 /nfs/dbraw/zinc/64/16/00/825641600.db2.gz MJGCJUZCCJTXQN-GMXVVIOVSA-N 2 1 252.362 -0.362 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)CN1 ZINC001246182811 825646786 /nfs/dbraw/zinc/64/67/86/825646786.db2.gz AAEABULWUNIFQB-UTUOFQBUSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CN1 ZINC001246183983 825646853 /nfs/dbraw/zinc/64/68/53/825646853.db2.gz YDEZPKHIRCLZLA-UTUOFQBUSA-N 2 1 255.362 -0.179 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CN1 ZINC001246183983 825646856 /nfs/dbraw/zinc/64/68/56/825646856.db2.gz YDEZPKHIRCLZLA-UTUOFQBUSA-N 2 1 255.362 -0.179 20 0 CBADMP COC(=O)[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1CCOCC1 ZINC001246184276 825647234 /nfs/dbraw/zinc/64/72/34/825647234.db2.gz KKWGSWNRGGPRTP-QWHCGFSZSA-N 2 1 297.399 -0.362 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCC[NH2+]C1 ZINC001246210326 825650361 /nfs/dbraw/zinc/65/03/61/825650361.db2.gz HMFYBXXWPHCMGU-UWVGGRQHSA-N 3 1 271.365 -0.867 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246206391 825651124 /nfs/dbraw/zinc/65/11/24/825651124.db2.gz ZMPGFMXKAQGUJQ-RYUDHWBXSA-N 3 1 284.404 -0.659 20 0 CBADMP CCOC(=O)CNC(=O)C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246211027 825651173 /nfs/dbraw/zinc/65/11/73/825651173.db2.gz ICLCXPFAPIWMGF-ZJUUUORDSA-N 2 1 257.334 -0.604 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246212436 825651833 /nfs/dbraw/zinc/65/18/33/825651833.db2.gz LYXYXCNDCFJPQG-MXWKQRLJSA-N 3 1 285.392 -0.479 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1CC[NH2+]CC1 ZINC001246213822 825651866 /nfs/dbraw/zinc/65/18/66/825651866.db2.gz PVPNWUOZECMNJP-JTQLQIEISA-N 3 1 271.365 -0.867 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)CN1 ZINC001246232027 825654634 /nfs/dbraw/zinc/65/46/34/825654634.db2.gz PPRJJOIWKBLHPF-UTLUCORTSA-N 2 1 277.315 -0.276 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)CN1 ZINC001246241413 825655294 /nfs/dbraw/zinc/65/52/94/825655294.db2.gz WWZRBUVJYWOHJB-WOPDTQHZSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)CN1 ZINC001246241413 825655299 /nfs/dbraw/zinc/65/52/99/825655299.db2.gz WWZRBUVJYWOHJB-WOPDTQHZSA-N 2 1 255.362 -0.036 20 0 CBADMP C[N@H+]1CCCN(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246241598 825655428 /nfs/dbraw/zinc/65/54/28/825655428.db2.gz STPGKCHLEIMRGN-AWEZNQCLSA-N 3 1 281.448 -0.693 20 0 CBADMP CC[NH+](CC)CCN(CC[NH3+])[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246237490 825655657 /nfs/dbraw/zinc/65/56/57/825655657.db2.gz CBAKBHGUCONUSR-STQMWFEESA-N 3 1 286.420 -0.508 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)CN1 ZINC001246241403 825655819 /nfs/dbraw/zinc/65/58/19/825655819.db2.gz WWZRBUVJYWOHJB-SRVKXCTJSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)CN1 ZINC001246241403 825655823 /nfs/dbraw/zinc/65/58/23/825655823.db2.gz WWZRBUVJYWOHJB-SRVKXCTJSA-N 2 1 255.362 -0.036 20 0 CBADMP CC(=O)N[C@@H](CCCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C(N)=O ZINC001246269125 825657697 /nfs/dbraw/zinc/65/76/97/825657697.db2.gz KXXUUCUFFQZLAB-WXHSDQCUSA-N 2 1 284.404 -0.123 20 0 CBADMP CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CCC[NH2+]C1)C(N)=O ZINC001246266374 825657795 /nfs/dbraw/zinc/65/77/95/825657795.db2.gz BQWXMEPLKRTAMT-NEPJUHHUSA-N 2 1 270.377 -0.512 20 0 CBADMP [NH3+]CCOCCOCCOCC[NH2+][C@@H]1CCCNC1 ZINC001246284193 825659062 /nfs/dbraw/zinc/65/90/62/825659062.db2.gz HDCMLXKPMRKDSA-CYBMUJFWSA-N 2 1 275.393 -0.664 20 0 CBADMP COC(=O)C1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246299865 825661775 /nfs/dbraw/zinc/66/17/75/825661775.db2.gz NSODXOKFCJFVOI-POSLAHMBSA-N 2 1 256.346 -0.112 20 0 CBADMP O=C1CC[C@@H]2C[C@H]([NH2+][C@@H]3C[NH2+]C[C@H]3CO)CCN12 ZINC001246304100 825662064 /nfs/dbraw/zinc/66/20/64/825662064.db2.gz HAVPWELXPDJLSP-IRCOFANPSA-N 2 1 253.346 -0.690 20 0 CBADMP O=C1CC[C@@H]2C[C@H]([NH2+][C@H]3C[NH2+]C[C@H]3CO)CCN12 ZINC001246304102 825662419 /nfs/dbraw/zinc/66/24/19/825662419.db2.gz HAVPWELXPDJLSP-QCNOEVLYSA-N 2 1 253.346 -0.690 20 0 CBADMP O=C1CC[C@@H]2C[C@H]([NH2+][C@H]3C[NH2+]C[C@@H]3CO)CCN12 ZINC001246304101 825662235 /nfs/dbraw/zinc/66/22/35/825662235.db2.gz HAVPWELXPDJLSP-KKOKHZNYSA-N 2 1 253.346 -0.690 20 0 CBADMP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001246302338 825662360 /nfs/dbraw/zinc/66/23/60/825662360.db2.gz DANOGJLWONNVQH-YFKTTZPYSA-N 2 1 266.349 -0.673 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1 ZINC001246315156 825663744 /nfs/dbraw/zinc/66/37/44/825663744.db2.gz HPYWXBLETLFCBI-ROHXPCBUSA-N 2 1 253.346 -0.238 20 0 CBADMP C[C@H]1CC[C@@H]([NH2+]CCCN2CCS(=O)(=O)CC2)C[NH2+]1 ZINC001246331419 825665486 /nfs/dbraw/zinc/66/54/86/825665486.db2.gz BINYGUSZTKILPY-QWHCGFSZSA-N 2 1 289.445 -0.163 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC2(C)C)CN1 ZINC001246373958 825670386 /nfs/dbraw/zinc/67/03/86/825670386.db2.gz SIGJALADLLMLQW-DCAQKATOSA-N 2 1 255.362 -0.132 20 0 CBADMP COC(=O)c1ccc(C[NH3+])n1[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246412025 825671372 /nfs/dbraw/zinc/67/13/72/825671372.db2.gz SBMCFVHJZNXFKI-UWVGGRQHSA-N 2 1 281.312 -0.191 20 0 CBADMP CC(C)C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)C(=O)NCC(N)=O ZINC001246448878 825673547 /nfs/dbraw/zinc/67/35/47/825673547.db2.gz LOBANVNHKLETOC-UTUOFQBUSA-N 2 1 284.404 -0.267 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@@H](NCCC[NH2+]CCC[NH3+])CN1 ZINC001246453417 825674107 /nfs/dbraw/zinc/67/41/07/825674107.db2.gz NULWZIAUAZFPEZ-OCCSQVGLSA-N 2 1 286.420 -0.412 20 0 CBADMP COC[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CN1 ZINC001246468309 825675851 /nfs/dbraw/zinc/67/58/51/825675851.db2.gz WXKNIZZBBLFVGO-UTUOFQBUSA-N 2 1 254.378 -0.953 20 0 CBADMP C([NH2+]C1CCC2(CC1)C[NH2+]CCO2)[C@@H]1C[NH2+]CCN1 ZINC001246486721 825677508 /nfs/dbraw/zinc/67/75/08/825677508.db2.gz FBCTXMHHVRYHMB-MOKVOYLWSA-N 3 1 268.405 -0.561 20 0 CBADMP CCN(CC)CCNC(=[NH2+])N[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246495323 825677658 /nfs/dbraw/zinc/67/76/58/825677658.db2.gz ODJPFHDVYZLRFZ-LBPRGKRZSA-N 2 1 282.436 -0.464 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2CCC[NH2+]CC2)C[NH2+]1 ZINC001246522186 825680189 /nfs/dbraw/zinc/68/01/89/825680189.db2.gz AIZDYVNRUZVLFH-WCQYABFASA-N 2 1 255.362 -0.035 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@H](N2CCC[NH2+]CC2)C[NH2+]1 ZINC001246522181 825680258 /nfs/dbraw/zinc/68/02/58/825680258.db2.gz AIZDYVNRUZVLFH-AAEUAGOBSA-N 2 1 255.362 -0.035 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCN(CC[NH+](C)C)CC2)C[NH2+]1 ZINC001246529149 825681702 /nfs/dbraw/zinc/68/17/02/825681702.db2.gz IPEXOXLPVIRQOQ-OLZOCXBDSA-N 2 1 284.404 -0.931 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246542355 825682513 /nfs/dbraw/zinc/68/25/13/825682513.db2.gz JWRDBNPKSSBNMP-NTZNESFSSA-N 2 1 271.361 -0.934 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246546983 825682662 /nfs/dbraw/zinc/68/26/62/825682662.db2.gz BPSKRAGGZBKEGZ-DYEKYZERSA-N 2 1 285.388 -0.544 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)CCN1 ZINC001246544372 825682881 /nfs/dbraw/zinc/68/28/81/825682881.db2.gz RESXEMLZLZOVRB-MBNYWOFBSA-N 2 1 285.388 -0.544 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@H+]([C@H]2CCOC3(C[NH2+]C3)C2)CC1 ZINC001246541312 825682997 /nfs/dbraw/zinc/68/29/97/825682997.db2.gz FTBUVZRAOZVZSQ-QWHCGFSZSA-N 3 1 269.389 -0.317 20 0 CBADMP CC(=O)N1CC[C@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)C1 ZINC001246546080 825683473 /nfs/dbraw/zinc/68/34/73/825683473.db2.gz YCMVKOADZUHVRC-QWHCGFSZSA-N 2 1 255.362 -0.217 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246556443 825684177 /nfs/dbraw/zinc/68/41/77/825684177.db2.gz ZYWUUDSYMPUJAO-BPLDGKMQSA-N 2 1 299.415 -0.154 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)CN1 ZINC001246556247 825684494 /nfs/dbraw/zinc/68/44/94/825684494.db2.gz FASVCIKBCSFUAO-YDHLFZDLSA-N 2 1 299.415 -0.154 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246559307 825685551 /nfs/dbraw/zinc/68/55/51/825685551.db2.gz ODSYCISGYZCFMS-IJLUTSLNSA-N 2 1 271.361 -0.982 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2CCCC[C@@](O)(C[NH3+])C2)C[NH2+]1 ZINC001246559856 825686071 /nfs/dbraw/zinc/68/60/71/825686071.db2.gz OGDZHNIUQTUHIW-DMDPSCGWSA-N 2 1 271.361 -0.934 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246565833 825686192 /nfs/dbraw/zinc/68/61/92/825686192.db2.gz ZSTKCJZFXLNEGP-LPEHRKFASA-N 2 1 277.315 -0.194 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)CN1 ZINC001246558546 825686338 /nfs/dbraw/zinc/68/63/38/825686338.db2.gz MDGHYMBWSCEIKO-OBJOEFQTSA-N 2 1 285.388 -0.544 20 0 CBADMP CC(=O)N1CC[C@@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246561684 825686394 /nfs/dbraw/zinc/68/63/94/825686394.db2.gz SBMZZRKOOPRETC-CHWSQXEVSA-N 2 1 255.362 -0.217 20 0 CBADMP CC(=O)N1CC[C@@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246561684 825686397 /nfs/dbraw/zinc/68/63/97/825686397.db2.gz SBMZZRKOOPRETC-CHWSQXEVSA-N 2 1 255.362 -0.217 20 0 CBADMP [NH3+]C[C@@]1(O)CCCC[N@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246560019 825686493 /nfs/dbraw/zinc/68/64/93/825686493.db2.gz ORUIRXLNCKNOFQ-STQMWFEESA-N 3 1 269.389 -0.317 20 0 CBADMP NC[C@@]1(O)CCCC[N@@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246560019 825686495 /nfs/dbraw/zinc/68/64/95/825686495.db2.gz ORUIRXLNCKNOFQ-STQMWFEESA-N 2 1 269.389 -0.317 20 0 CBADMP NC[C@@]1(O)CCCC[N@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246560019 825686498 /nfs/dbraw/zinc/68/64/98/825686498.db2.gz ORUIRXLNCKNOFQ-STQMWFEESA-N 2 1 269.389 -0.317 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC(F)(F)[C@H](C[NH3+])C2)C[NH2+]1 ZINC001246565822 825686579 /nfs/dbraw/zinc/68/65/79/825686579.db2.gz ZSTKCJZFXLNEGP-BBBLOLIVSA-N 2 1 277.315 -0.194 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCCC[C@](O)(C[NH3+])C2)C[NH2+]1 ZINC001246559875 825686713 /nfs/dbraw/zinc/68/67/13/825686713.db2.gz OGDZHNIUQTUHIW-MDZLAQPJSA-N 2 1 271.361 -0.934 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N2CC[C@@H]([NH3+])[C@H](O)C2)C[NH2+]1 ZINC001246573084 825687429 /nfs/dbraw/zinc/68/74/29/825687429.db2.gz YZZGPWFFIPFINO-PRULPYPASA-N 2 1 271.361 -0.936 20 0 CBADMP O[C@]1(CF)CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1F ZINC001246572017 825687542 /nfs/dbraw/zinc/68/75/42/825687542.db2.gz CTUUHUAKAFYTIU-GVXVVHGQSA-N 2 1 275.343 -0.175 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC001246570582 825687667 /nfs/dbraw/zinc/68/76/67/825687667.db2.gz BFRAJXKXLXIXGD-DMDPSCGWSA-N 2 1 255.362 -0.036 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C2CCC3(CC2)OCCO3)C[C@H]1O ZINC001246576427 825688941 /nfs/dbraw/zinc/68/89/41/825688941.db2.gz FVXPPBXWSCDZEA-CMPLNLGQSA-N 2 1 256.346 -0.077 20 0 CBADMP C[C@@]1(O)CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1F ZINC001246577041 825688973 /nfs/dbraw/zinc/68/89/73/825688973.db2.gz QIKUHJPWQVDQNK-GRYCIOLGSA-N 2 1 257.353 -0.125 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCN3C(=O)CC[C@H]3C2)C[C@H]1O ZINC001246579329 825689636 /nfs/dbraw/zinc/68/96/36/825689636.db2.gz ILHKFOFJUJUYTE-FIQHERPVSA-N 2 1 253.346 -0.609 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCC[C@@H](n3ncnn3)C2)C[C@H]1O ZINC001246580770 825690487 /nfs/dbraw/zinc/69/04/87/825690487.db2.gz OVOADNQPNRZOBA-NNYUYHANSA-N 2 1 266.349 -0.592 20 0 CBADMP N[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1F ZINC001246583640 825690698 /nfs/dbraw/zinc/69/06/98/825690698.db2.gz IAQUDPJZUUMNNR-GRYCIOLGSA-N 2 1 256.369 -0.158 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1F ZINC001246583640 825690701 /nfs/dbraw/zinc/69/07/01/825690701.db2.gz IAQUDPJZUUMNNR-GRYCIOLGSA-N 3 1 256.369 -0.158 20 0 CBADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1F ZINC001246583640 825690705 /nfs/dbraw/zinc/69/07/05/825690705.db2.gz IAQUDPJZUUMNNR-GRYCIOLGSA-N 3 1 256.369 -0.158 20 0 CBADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2C[C@H](O)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246584536 825691150 /nfs/dbraw/zinc/69/11/50/825691150.db2.gz NKPZEVRYLMPYFB-BJDJZHNGSA-N 2 1 285.388 -0.690 20 0 CBADMP CCOC(=O)CN1CCC([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246583023 825691184 /nfs/dbraw/zinc/69/11/84/825691184.db2.gz IINSDDATVPFERH-WCQYABFASA-N 2 1 285.388 -0.735 20 0 CBADMP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246580670 825691209 /nfs/dbraw/zinc/69/12/09/825691209.db2.gz NETQMOQDPJUOGV-YFKTTZPYSA-N 2 1 256.346 -0.030 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCN3CCOC[C@@H]3C1)CCN2 ZINC001246595636 825692159 /nfs/dbraw/zinc/69/21/59/825692159.db2.gz OYKKWYUVXUJSQB-OLZOCXBDSA-N 2 1 266.389 -0.903 20 0 CBADMP COC(=O)[C@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246595525 825692191 /nfs/dbraw/zinc/69/21/91/825692191.db2.gz SYRKRZMYIJFTQL-WDEREUQCSA-N 2 1 253.346 -0.425 20 0 CBADMP C[C@@]1(O)COCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246593960 825692658 /nfs/dbraw/zinc/69/26/58/825692658.db2.gz UNJCVEZBIPTYTO-NEPJUHHUSA-N 2 1 255.362 -0.836 20 0 CBADMP COC[C@@H]1CNCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246590934 825692888 /nfs/dbraw/zinc/69/28/88/825692888.db2.gz BGBMHLPZRMNCJU-NEPJUHHUSA-N 2 1 254.378 -0.999 20 0 CBADMP COC[C@@H]1CNCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246590934 825692890 /nfs/dbraw/zinc/69/28/90/825692890.db2.gz BGBMHLPZRMNCJU-NEPJUHHUSA-N 2 1 254.378 -0.999 20 0 CBADMP O=S1(=O)CC[C@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246600124 825693988 /nfs/dbraw/zinc/69/39/88/825693988.db2.gz FLXTWOUAFRRNPI-NSHDSACASA-N 2 1 273.402 -0.799 20 0 CBADMP O=S1(=O)CC[C@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246600124 825693990 /nfs/dbraw/zinc/69/39/90/825693990.db2.gz FLXTWOUAFRRNPI-NSHDSACASA-N 2 1 273.402 -0.799 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC[C@]3(CC[NH2+]3)C2)C[NH2+]1 ZINC001246615979 825695553 /nfs/dbraw/zinc/69/55/53/825695553.db2.gz YZINPPVOVZGPJS-GVXVVHGQSA-N 2 1 253.346 -0.282 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@@H+]1CCO[C@@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246622736 825696389 /nfs/dbraw/zinc/69/63/89/825696389.db2.gz RVTQKUIJGSMYBR-DZGCQCFKSA-N 3 1 280.416 -0.465 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCO[C@@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246622736 825696394 /nfs/dbraw/zinc/69/63/94/825696394.db2.gz RVTQKUIJGSMYBR-DZGCQCFKSA-N 3 1 280.416 -0.465 20 0 CBADMP C1[NH2+]CC12CC[C@@H](N1CC[NH2+]C[C@]13CC[NH2+]C3)C2 ZINC001246624455 825696615 /nfs/dbraw/zinc/69/66/15/825696615.db2.gz NBENOWFBBVOTOF-TZMCWYRMSA-N 3 1 250.390 -0.234 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1CC[NH2+]C[C@@]13CC[NH2+]C3)CCO2 ZINC001246623725 825696630 /nfs/dbraw/zinc/69/66/30/825696630.db2.gz KJBOSDFTVRUDSV-STQMWFEESA-N 3 1 266.389 -0.855 20 0 CBADMP C1C[C@]2(C[NH2+]1)C[NH2+]CCN2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246625856 825696670 /nfs/dbraw/zinc/69/66/70/825696670.db2.gz QFELOTOAVPKQLW-PIGZVRMJSA-N 3 1 250.390 -0.093 20 0 CBADMP COC(=O)CC[C@@H](C)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246623911 825696753 /nfs/dbraw/zinc/69/67/53/825696753.db2.gz MAPTVTFUFQDHPC-YPMHNXCESA-N 2 1 255.362 -0.035 20 0 CBADMP C1C[C@@]2(C[NH2+]1)C[NH2+]CCN2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246625858 825697134 /nfs/dbraw/zinc/69/71/34/825697134.db2.gz QFELOTOAVPKQLW-QNMSZWNNSA-N 3 1 250.390 -0.093 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC(F)(C[NH3+])CC2)C[NH2+]1 ZINC001246624829 825697172 /nfs/dbraw/zinc/69/71/72/825697172.db2.gz FVECJWMRYVFPHD-ZJUUUORDSA-N 2 1 259.325 -0.347 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)CN1 ZINC001246624829 825697177 /nfs/dbraw/zinc/69/71/77/825697177.db2.gz FVECJWMRYVFPHD-ZJUUUORDSA-N 2 1 259.325 -0.347 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCN[C@H]3CC[NH2+]CC[C@@H]31)CCN2 ZINC001246619823 825697207 /nfs/dbraw/zinc/69/72/07/825697207.db2.gz UITRGGOOORKQAU-RDBSUJKOSA-N 3 1 279.432 -0.894 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001246628429 825697919 /nfs/dbraw/zinc/69/79/19/825697919.db2.gz LJUHHEAGAGXGMG-YRGRVCCFSA-N 2 1 267.373 -0.035 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)CO1 ZINC001246629505 825698014 /nfs/dbraw/zinc/69/80/14/825698014.db2.gz OGXWDPYAAPBPEW-YDHLFZDLSA-N 2 1 297.399 -0.266 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)CO1 ZINC001246629502 825698067 /nfs/dbraw/zinc/69/80/67/825698067.db2.gz OGXWDPYAAPBPEW-IPYPFGDCSA-N 2 1 297.399 -0.266 20 0 CBADMP COC(=O)[C@@H]1CC[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001246628426 825698225 /nfs/dbraw/zinc/69/82/25/825698225.db2.gz LJUHHEAGAGXGMG-MBNYWOFBSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246631525 825698279 /nfs/dbraw/zinc/69/82/79/825698279.db2.gz QDGQMRXVGMGWFH-NTZNESFSSA-N 2 1 253.346 -0.425 20 0 CBADMP C1CC[C@@]2(CNCCN(C3C[C@@H]4COC[C@H](C3)[NH2+]4)C2)[NH2+]C1 ZINC001246631361 825698344 /nfs/dbraw/zinc/69/83/44/825698344.db2.gz RZSWHBHXRFIMJH-QXULXFAOSA-N 2 1 294.443 -0.077 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)CCN1 ZINC001246625916 825698394 /nfs/dbraw/zinc/69/83/94/825698394.db2.gz QFURERXKBVZNKX-IPYPFGDCSA-N 2 1 296.415 -0.693 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@@H]3NCCO[C@H]3C1)CCN2 ZINC001246635471 825699099 /nfs/dbraw/zinc/69/90/99/825699099.db2.gz VAEXEDVVZCHINR-AGIUHOORSA-N 2 1 266.389 -0.857 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CN1 ZINC001246636127 825699399 /nfs/dbraw/zinc/69/93/99/825699399.db2.gz CRRIUCSPQUOBEG-NEPJUHHUSA-N 2 1 267.373 -0.035 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@@H+]1CCOCC13CC[NH2+]CC3)CCN2 ZINC001246642261 825700397 /nfs/dbraw/zinc/70/03/97/825700397.db2.gz HQXBKTPXBJWQRD-ZDUSSCGKSA-N 3 1 280.416 -0.465 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCOCC13CC[NH2+]CC3)CCN2 ZINC001246642261 825700404 /nfs/dbraw/zinc/70/04/04/825700404.db2.gz HQXBKTPXBJWQRD-ZDUSSCGKSA-N 3 1 280.416 -0.465 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCOCC23CC[NH2+]CC3)C[NH2+]1 ZINC001246642820 825700876 /nfs/dbraw/zinc/70/08/76/825700876.db2.gz KJNQVMAIAIVGPY-NEPJUHHUSA-N 2 1 283.372 -0.656 20 0 CBADMP C1[NH2+]CC12CC[C@H]([N@H+]1CCN[C@]3(CC[NH2+]C3)C1)C2 ZINC001246641468 825700929 /nfs/dbraw/zinc/70/09/29/825700929.db2.gz IIWRWDBWRBYZEY-JSGCOSHPSA-N 3 1 250.390 -0.234 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC23CC[NH2+]CC3)C[NH2+]1 ZINC001246644843 825701563 /nfs/dbraw/zinc/70/15/63/825701563.db2.gz YHNAEMKGFUDGEE-QWRGUYRKSA-N 2 1 253.346 -0.282 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[NH2+]1 ZINC001246649211 825701961 /nfs/dbraw/zinc/70/19/61/825701961.db2.gz WMRKCEGXZVQYFK-KXNHARMFSA-N 2 1 253.346 -0.569 20 0 CBADMP OC[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246648243 825702159 /nfs/dbraw/zinc/70/21/59/825702159.db2.gz XCEZGHDPLBLJHZ-YIPFDTCYSA-N 3 1 251.374 -0.217 20 0 CBADMP OC[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246648243 825702161 /nfs/dbraw/zinc/70/21/61/825702161.db2.gz XCEZGHDPLBLJHZ-YIPFDTCYSA-N 3 1 251.374 -0.217 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC[C@]23CC[NH2+]C3)C[NH2+]1 ZINC001246645673 825702293 /nfs/dbraw/zinc/70/22/93/825702293.db2.gz CYYQDRZLZPOHSP-GMXVVIOVSA-N 2 1 253.346 -0.282 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC[C@@]3(C[NH2+]CCO3)C2)C[NH2+]1 ZINC001246647158 825702543 /nfs/dbraw/zinc/70/25/43/825702543.db2.gz HYMBVQWOOBDJKM-MBNYWOFBSA-N 2 1 283.372 -0.656 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC[C@]3(C[NH2+]CCO3)C2)C[NH2+]1 ZINC001246647163 825702789 /nfs/dbraw/zinc/70/27/89/825702789.db2.gz HYMBVQWOOBDJKM-OBJOEFQTSA-N 2 1 283.372 -0.656 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCC[C@@]3(CNCCO3)C1)CCN2 ZINC001246645115 825703022 /nfs/dbraw/zinc/70/30/22/825703022.db2.gz BCJBQUJMCVRFJS-UKRRQHHQSA-N 2 1 280.416 -0.465 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2C[C@H]3CCC[C@@]3([NH3+])C2)C[NH2+]1 ZINC001246668388 825705115 /nfs/dbraw/zinc/70/51/15/825705115.db2.gz YCHGLTHHEORZCC-HNCHTBHHSA-N 2 1 253.346 -0.297 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)CN1 ZINC001246688580 825706304 /nfs/dbraw/zinc/70/63/04/825706304.db2.gz GCVRIHACLQBOOA-YFKTTZPYSA-N 2 1 285.363 -0.101 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)CN1 ZINC001246688580 825706307 /nfs/dbraw/zinc/70/63/07/825706307.db2.gz GCVRIHACLQBOOA-YFKTTZPYSA-N 2 1 285.363 -0.101 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)C[NH2+]1 ZINC001246688580 825706309 /nfs/dbraw/zinc/70/63/09/825706309.db2.gz GCVRIHACLQBOOA-YFKTTZPYSA-N 2 1 285.363 -0.101 20 0 CBADMP COC(=O)[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC001246691610 825706603 /nfs/dbraw/zinc/70/66/03/825706603.db2.gz FTQCOQBBXMSSFR-AYLPWXGPSA-N 2 1 253.346 -0.284 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@H](C3C[NH2+]C3)C2)CN1 ZINC001246680251 825706491 /nfs/dbraw/zinc/70/64/91/825706491.db2.gz SQLGFHXCZYPIIZ-WCQGTBRESA-N 2 1 253.346 -0.569 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CN1 ZINC001246682388 825706539 /nfs/dbraw/zinc/70/65/39/825706539.db2.gz CEOOVTFMROIYCJ-GEJOOGBSSA-N 2 1 295.383 -0.657 20 0 CBADMP COC(=O)[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC001246691610 825706608 /nfs/dbraw/zinc/70/66/08/825706608.db2.gz FTQCOQBBXMSSFR-AYLPWXGPSA-N 2 1 253.346 -0.284 20 0 CBADMP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCC[NH2+]C2)O1 ZINC001246700333 825707506 /nfs/dbraw/zinc/70/75/06/825707506.db2.gz IWWSKWHXBBWQEE-SYQHCUMBSA-N 2 1 297.399 -0.267 20 0 CBADMP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCC[NH2+]C2)O1 ZINC001246700333 825707508 /nfs/dbraw/zinc/70/75/08/825707508.db2.gz IWWSKWHXBBWQEE-SYQHCUMBSA-N 2 1 297.399 -0.267 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)C[NH2+]1 ZINC001246694420 825707815 /nfs/dbraw/zinc/70/78/15/825707815.db2.gz RIMBVBUCIUNWNL-FMSGJZPZSA-N 2 1 285.363 -0.087 20 0 CBADMP O=C1NCC[C@]12CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246703012 825708086 /nfs/dbraw/zinc/70/80/86/825708086.db2.gz HHHMVAKESYIYOM-JSGCOSHPSA-N 2 1 278.400 -0.318 20 0 CBADMP CNC(=O)CN1CCO[C@H]2C[N@H+]([C@H]3CC[NH2+][C@@H](C)C3)C[C@H]21 ZINC001246730389 825708217 /nfs/dbraw/zinc/70/82/17/825708217.db2.gz KGBNYCFEIWTTDZ-FQUUOJAGSA-N 2 1 296.415 -0.742 20 0 CBADMP CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2C1CC[NH2+]CC1 ZINC001246746249 825708652 /nfs/dbraw/zinc/70/86/52/825708652.db2.gz HCXNMRSAKRFJIG-STQMWFEESA-N 2 1 294.399 -0.498 20 0 CBADMP COC1C[C@@H]2COC[C@H](C1)[N@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246761062 825708839 /nfs/dbraw/zinc/70/88/39/825708839.db2.gz RXWBAZNJMBDILR-HABKJSAYSA-N 2 1 281.400 -0.041 20 0 CBADMP COCCN1C[C@@H]2C[N@H+](C3CC[NH2+]CC3)C[C@@H]2C1=O ZINC001246753574 825709011 /nfs/dbraw/zinc/70/90/11/825709011.db2.gz GOFBDIRQYLXZKW-YPMHNXCESA-N 2 1 267.373 -0.225 20 0 CBADMP CCO[C@@H]1C[C@H]2CN([C@H]3CCNC4(C[NH2+]C4)C3)CC[N@H+]2C1 ZINC001246737060 825709551 /nfs/dbraw/zinc/70/95/51/825709551.db2.gz AHYORNRPQLNBNW-SOUVJXGZSA-N 2 1 294.443 -0.125 20 0 CBADMP CC1(C)C(=O)NCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246788759 825710813 /nfs/dbraw/zinc/71/08/13/825710813.db2.gz IZEYYVSQIWFGHI-JTQLQIEISA-N 2 1 252.362 -0.709 20 0 CBADMP COCCN([C@@H]1C[NH2+][C@H](C(=O)OC)C1)C1CC[NH+](C)CC1 ZINC001246779538 825710896 /nfs/dbraw/zinc/71/08/96/825710896.db2.gz QBGRHAKJXVFBGB-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP C(C[NH+]1CCN([C@@H]2CCC[NH2+]C2)CC1)N1CCOCC1 ZINC001246790267 825711584 /nfs/dbraw/zinc/71/15/84/825711584.db2.gz VRLYOPXTVQRLMY-OAHLLOKOSA-N 2 1 282.432 -0.312 20 0 CBADMP C(C[NH+]1CCN([C@H]2CCC[NH2+]C2)CC1)N1CCOCC1 ZINC001246790263 825711844 /nfs/dbraw/zinc/71/18/44/825711844.db2.gz VRLYOPXTVQRLMY-HNNXBMFYSA-N 2 1 282.432 -0.312 20 0 CBADMP Cn1cc2c(n1)CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246801847 825713108 /nfs/dbraw/zinc/71/31/08/825713108.db2.gz HHNGCTOIIZNJTB-GFCCVEGCSA-N 2 1 261.373 -0.128 20 0 CBADMP CN1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246799194 825713343 /nfs/dbraw/zinc/71/33/43/825713343.db2.gz XALVQRBABQQOAX-NSHDSACASA-N 2 1 252.362 -0.756 20 0 CBADMP CCOC(=O)[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246814171 825715101 /nfs/dbraw/zinc/71/51/01/825715101.db2.gz ODHDAIDJBXHFBR-VXGBXAGGSA-N 2 1 283.372 -0.656 20 0 CBADMP CC(=O)N1CCC([NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001246821101 825716048 /nfs/dbraw/zinc/71/60/48/825716048.db2.gz LKIFQQFDIARENQ-UHFFFAOYSA-N 2 1 297.447 -0.918 20 0 CBADMP C[N@H+](C1CN([C@H]2CCNC3(C[NH2+]C3)C2)C1)[C@@H]1CCOC1 ZINC001246820812 825716536 /nfs/dbraw/zinc/71/65/36/825716536.db2.gz QITMQBFVSDUILR-QWHCGFSZSA-N 2 1 280.416 -0.515 20 0 CBADMP C[N@@H+](C1CN([C@H]2CCNC3(C[NH2+]C3)C2)C1)[C@@H]1CCOC1 ZINC001246820812 825716539 /nfs/dbraw/zinc/71/65/39/825716539.db2.gz QITMQBFVSDUILR-QWHCGFSZSA-N 2 1 280.416 -0.515 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH2+]CCNCC[NH2+]CC1)C2 ZINC001246820104 825716694 /nfs/dbraw/zinc/71/66/94/825716694.db2.gz JJRMIKRQHUHGQJ-ZSHCYNCHSA-N 3 1 295.475 -0.304 20 0 CBADMP CC[N@H+]1CC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246822680 825717427 /nfs/dbraw/zinc/71/74/27/825717427.db2.gz SHUBEASNTMGHOW-AWEZNQCLSA-N 3 1 269.437 -0.835 20 0 CBADMP C1C[C@H]2CC(N3CC[NH2+]CCNCC[NH2+]CC3)C[C@@H]1O2 ZINC001246824593 825717579 /nfs/dbraw/zinc/71/75/79/825717579.db2.gz ZGEKHQDYVRQEEC-GOOCMWNKSA-N 2 1 282.432 -0.219 20 0 CBADMP O=C1CC[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246827863 825717934 /nfs/dbraw/zinc/71/79/34/825717934.db2.gz SWJHWYHVMYTXFY-NWDGAFQWSA-N 2 1 264.373 -0.613 20 0 CBADMP C1CSC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246824594 825718055 /nfs/dbraw/zinc/71/80/55/825718055.db2.gz ZHXIORIRTYHGFV-CYBMUJFWSA-N 2 1 272.462 -0.034 20 0 CBADMP COCCCN([C@@H]1C[NH2+][C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246837494 825718909 /nfs/dbraw/zinc/71/89/09/825718909.db2.gz UPSVRKJFGSZNNG-KBPBESRZSA-N 2 1 299.415 -0.020 20 0 CBADMP O=C1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]2CCCN12 ZINC001246838586 825719494 /nfs/dbraw/zinc/71/94/94/825719494.db2.gz YMOLTIDMXCKVBM-VXGBXAGGSA-N 2 1 264.373 -0.613 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](C)CCN2CC[NH+](C)CC2)CN1 ZINC001246847717 825720383 /nfs/dbraw/zinc/72/03/83/825720383.db2.gz LXCJAAFETQAAFK-KBPBESRZSA-N 2 1 298.431 -0.541 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246843188 825721424 /nfs/dbraw/zinc/72/14/24/825721424.db2.gz BHGRKXCNLPHCLQ-NEPJUHHUSA-N 2 1 266.389 -0.367 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH+]2CC3(C2)CCC[NH2+]CC3)CN1 ZINC001246854658 825722253 /nfs/dbraw/zinc/72/22/53/825722253.db2.gz QFYSLZPVMKYRIR-NEPJUHHUSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC3(C2)CCC[NH2+]CC3)C[NH2+]1 ZINC001246854658 825722256 /nfs/dbraw/zinc/72/22/56/825722256.db2.gz QFYSLZPVMKYRIR-NEPJUHHUSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@H]1C(=O)N(C)CC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246855380 825722458 /nfs/dbraw/zinc/72/24/58/825722458.db2.gz XOPRVNYKLGRNKW-GHMZBOCLSA-N 2 1 252.362 -0.757 20 0 CBADMP CS(=O)(=O)[C@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246855996 825723131 /nfs/dbraw/zinc/72/31/31/825723131.db2.gz RNZNLFOAHARFPA-RYUDHWBXSA-N 2 1 287.429 -0.411 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@@H]3CNC(=O)C3)C[C@H]1C2 ZINC001246859675 825723660 /nfs/dbraw/zinc/72/36/60/825723660.db2.gz QLRJVTGRIWGIQM-KYSMWIMPSA-N 2 1 293.367 -0.795 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CN1 ZINC001246863384 825723871 /nfs/dbraw/zinc/72/38/71/825723871.db2.gz XREDWNAJVMDBOX-BMNJFWBPSA-N 2 1 297.399 -0.424 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CN1 ZINC001246863384 825723873 /nfs/dbraw/zinc/72/38/73/825723873.db2.gz XREDWNAJVMDBOX-BMNJFWBPSA-N 2 1 297.399 -0.424 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246869924 825725471 /nfs/dbraw/zinc/72/54/71/825725471.db2.gz JDMKKJYLYAFRPR-KGLIPLIRSA-N 2 1 298.431 -0.493 20 0 CBADMP COC(=O)C[C@H]1COCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246869135 825725765 /nfs/dbraw/zinc/72/57/65/825725765.db2.gz FDEHCLLWFZGQFN-RYUDHWBXSA-N 2 1 283.372 -0.656 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)CN1 ZINC001246872257 825727976 /nfs/dbraw/zinc/72/79/76/825727976.db2.gz QDCLCHJCQXVXAY-IHRRRGAJSA-N 2 1 296.415 -0.613 20 0 CBADMP CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246894071 825728882 /nfs/dbraw/zinc/72/88/82/825728882.db2.gz NCQUIEFKPWOZGW-NEPJUHHUSA-N 2 1 252.362 -0.709 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC[NH2+]CCC2)CN1 ZINC001246906552 825729705 /nfs/dbraw/zinc/72/97/05/825729705.db2.gz RFTICJSCRJVYIX-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP COC(=O)[C@H]1C[C@H](N(C)[C@@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246914601 825731603 /nfs/dbraw/zinc/73/16/03/825731603.db2.gz SWFKNUIIXGDPOU-LOWVWBTDSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@H]1C[C@@H](N(C)[C@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246914604 825731623 /nfs/dbraw/zinc/73/16/23/825731623.db2.gz SWFKNUIIXGDPOU-NQBHXWOUSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N(C)[C@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246914598 825731925 /nfs/dbraw/zinc/73/19/25/825731925.db2.gz SWFKNUIIXGDPOU-GMXVVIOVSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)C[C@H]1N ZINC001246929430 825733030 /nfs/dbraw/zinc/73/30/30/825733030.db2.gz CYDLIQQXFJBKEP-HBNTYKKESA-N 2 1 253.346 -0.439 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@](C)(C[NH3+])C2)CN1 ZINC001246967334 825737074 /nfs/dbraw/zinc/73/70/74/825737074.db2.gz NSXGLLAHICFOEJ-GMXVVIOVSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@](C)(C[NH3+])C2)CN1 ZINC001246967334 825737079 /nfs/dbraw/zinc/73/70/79/825737079.db2.gz NSXGLLAHICFOEJ-GMXVVIOVSA-N 2 1 255.362 -0.049 20 0 CBADMP COCCCN([C@@H]1CC[NH2+]C1)[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246983342 825738785 /nfs/dbraw/zinc/73/87/85/825738785.db2.gz FCGQRPGOHIETPR-UPJWGTAASA-N 2 1 285.388 -0.410 20 0 CBADMP CC[NH+](CC)C[C@@H]1CN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)CCO1 ZINC001246983782 825738678 /nfs/dbraw/zinc/73/86/78/825738678.db2.gz IWLXEXZHFJKRNA-MJBXVCDLSA-N 2 1 299.415 -0.068 20 0 CBADMP COCCCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)[C@H]1CC[NH2+]C1 ZINC001246983343 825738777 /nfs/dbraw/zinc/73/87/77/825738777.db2.gz FCGQRPGOHIETPR-XQQFMLRXSA-N 2 1 285.388 -0.410 20 0 CBADMP CC[NH+](CC)C[C@@H]1CN([C@H]2C[NH2+][C@H](C(=O)OC)C2)CCO1 ZINC001246983781 825738870 /nfs/dbraw/zinc/73/88/70/825738870.db2.gz IWLXEXZHFJKRNA-MCIONIFRSA-N 2 1 299.415 -0.068 20 0 CBADMP CCN1C[C@@H]2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2C1 ZINC001246981108 825739738 /nfs/dbraw/zinc/73/97/38/825739738.db2.gz UTNHMDPVHHXQBL-MGPQQGTHSA-N 2 1 264.417 -0.036 20 0 CBADMP COC(=O)[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1C ZINC001246993073 825740346 /nfs/dbraw/zinc/74/03/46/825740346.db2.gz SQFXHHWFWOGRAX-SRVKXCTJSA-N 2 1 267.373 -0.179 20 0 CBADMP FC(F)(F)[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246993746 825740882 /nfs/dbraw/zinc/74/08/82/825740882.db2.gz UCUFGSFANPHZEB-VHSXEESVSA-N 2 1 278.322 -0.084 20 0 CBADMP COC(=O)[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1C ZINC001246993075 825741365 /nfs/dbraw/zinc/74/13/65/825741365.db2.gz SQFXHHWFWOGRAX-TUAOUCFPSA-N 2 1 267.373 -0.179 20 0 CBADMP COC(=O)[C@]1(C)CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001247001857 825742674 /nfs/dbraw/zinc/74/26/74/825742674.db2.gz MBBOISBJLAMGQG-WCQYABFASA-N 2 1 267.373 -0.035 20 0 CBADMP CC[NH+]1C[C@@H]2C[NH+](C[C@@H](O)CN3CCOCC3)C[C@H]2C1 ZINC001251024461 825764873 /nfs/dbraw/zinc/76/48/73/825764873.db2.gz SVFOKFFNZBOMQJ-KFWWJZLASA-N 2 1 283.416 -0.437 20 0 CBADMP CC[C@@H](O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001251777955 825788250 /nfs/dbraw/zinc/78/82/50/825788250.db2.gz IWDGAYDXRJPVKG-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CCOC[C@H](O)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001252029453 825812392 /nfs/dbraw/zinc/81/23/92/825812392.db2.gz QOWOMKAIBZJNKH-CYBMUJFWSA-N 2 1 259.394 -0.437 20 0 CBADMP CCOC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252033332 825814870 /nfs/dbraw/zinc/81/48/70/825814870.db2.gz UNSMKXMFTWDDDO-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCOC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252033332 825814873 /nfs/dbraw/zinc/81/48/73/825814873.db2.gz UNSMKXMFTWDDDO-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C[C@H](O)CO)CC[C@@H]21 ZINC001252059169 825821568 /nfs/dbraw/zinc/82/15/68/825821568.db2.gz RELXYEZOLNZURD-RFGFWPKPSA-N 2 1 295.387 -0.974 20 0 CBADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C[C@H](O)CO)CC[C@@H]21 ZINC001252059169 825821573 /nfs/dbraw/zinc/82/15/73/825821573.db2.gz RELXYEZOLNZURD-RFGFWPKPSA-N 2 1 295.387 -0.974 20 0 CBADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C[C@H](O)CO)CC[C@@H]21 ZINC001252059169 825821577 /nfs/dbraw/zinc/82/15/77/825821577.db2.gz RELXYEZOLNZURD-RFGFWPKPSA-N 2 1 295.387 -0.974 20 0 CBADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C[C@H](O)CO)CC[C@@H]21 ZINC001252059169 825821583 /nfs/dbraw/zinc/82/15/83/825821583.db2.gz RELXYEZOLNZURD-RFGFWPKPSA-N 2 1 295.387 -0.974 20 0 CBADMP CCC[NH+]1C[C@@H]2C[NH+](C[C@H](O)C(=O)OC)C[C@H]2C1 ZINC001252423137 825852219 /nfs/dbraw/zinc/85/22/19/825852219.db2.gz OXEGMOJRNRASIM-UTUOFQBUSA-N 2 1 256.346 -0.206 20 0 CBADMP COC(=O)[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001252445418 825863243 /nfs/dbraw/zinc/86/32/43/825863243.db2.gz UJACDWGTEYXUPW-GFCCVEGCSA-N 2 1 256.346 -0.016 20 0 CBADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC2(O)CCOCC2)C1 ZINC001252965759 825897500 /nfs/dbraw/zinc/89/75/00/825897500.db2.gz WHEVKANLJPJKCF-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC2(O)CCOCC2)C1 ZINC001252965759 825897503 /nfs/dbraw/zinc/89/75/03/825897503.db2.gz WHEVKANLJPJKCF-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+](CC)C[C@@H](O)CN1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001253192101 825904442 /nfs/dbraw/zinc/90/44/42/825904442.db2.gz JQKVMHWDGWVXGH-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+](CC)C[C@@H](O)CN1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001253192101 825904450 /nfs/dbraw/zinc/90/44/50/825904450.db2.gz JQKVMHWDGWVXGH-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[NH2+]CCN1CCOC[C@H]1C ZINC001253214950 825906305 /nfs/dbraw/zinc/90/63/05/825906305.db2.gz TYOISBKVMSEALL-KGLIPLIRSA-N 2 1 273.421 -0.001 20 0 CBADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253406267 825913972 /nfs/dbraw/zinc/91/39/72/825913972.db2.gz DXGBKGLDNVUEID-NEPJUHHUSA-N 2 1 257.378 -0.054 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCN1CCOC1=O ZINC001253406587 825914094 /nfs/dbraw/zinc/91/40/94/825914094.db2.gz QVEJAUCAFPCAIU-JTQLQIEISA-N 2 1 259.350 -0.223 20 0 CBADMP CC(=O)N1C[C@H]2C[C@@]2([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253405970 825914304 /nfs/dbraw/zinc/91/43/04/825914304.db2.gz VIYRAOCJVNRCGU-YRGRVCCFSA-N 2 1 269.389 -0.054 20 0 CBADMP CCOC(=O)C[C@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001253809235 825933660 /nfs/dbraw/zinc/93/36/60/825933660.db2.gz XNAQPSKDJRGRLI-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP C[N@H+]1CCC[C@H]([NH2+]CCN2C(=O)C=CC2=O)CC1 ZINC001254503724 825963691 /nfs/dbraw/zinc/96/36/91/825963691.db2.gz OXCZIIZYUOQMTI-NSHDSACASA-N 2 1 251.330 -0.015 20 0 CBADMP CN1CCN(C)C2(CCN([C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001255431361 825982495 /nfs/dbraw/zinc/98/24/95/825982495.db2.gz JXRCWSLGXXZGTO-CYBMUJFWSA-N 2 1 280.416 -0.071 20 0 CBADMP CN1CC[C@@H]([NH+]2CCC3(CC2)C(=O)N(C)CCN3C)C1 ZINC001255431361 825982504 /nfs/dbraw/zinc/98/25/04/825982504.db2.gz JXRCWSLGXXZGTO-CYBMUJFWSA-N 2 1 280.416 -0.071 20 0 CBADMP CN1CC[N@H+](C)C2(CCN([C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC001255431361 825982510 /nfs/dbraw/zinc/98/25/10/825982510.db2.gz JXRCWSLGXXZGTO-CYBMUJFWSA-N 2 1 280.416 -0.071 20 0 CBADMP CN1CC[N@@H+](C)C2(CCN([C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC001255431361 825982515 /nfs/dbraw/zinc/98/25/15/825982515.db2.gz JXRCWSLGXXZGTO-CYBMUJFWSA-N 2 1 280.416 -0.071 20 0 CBADMP CN1CC[NH+](C)C2(CCN([C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001255431361 825982517 /nfs/dbraw/zinc/98/25/17/825982517.db2.gz JXRCWSLGXXZGTO-CYBMUJFWSA-N 2 1 280.416 -0.071 20 0 CBADMP CN1CC[NH+](C)C2(CCN([C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001255431361 825982523 /nfs/dbraw/zinc/98/25/23/825982523.db2.gz JXRCWSLGXXZGTO-CYBMUJFWSA-N 2 1 280.416 -0.071 20 0 CBADMP C[N@H+]1CC[C@@H](N([C@H]2CCC[NH2+]C2)S(C)(=O)=O)C1 ZINC001255441983 825984799 /nfs/dbraw/zinc/98/47/99/825984799.db2.gz RHYFDOODGAVWEX-WDEREUQCSA-N 2 1 261.391 -0.296 20 0 CBADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001255941996 825996336 /nfs/dbraw/zinc/99/63/36/825996336.db2.gz AUKLVFGUSMSMJI-KSTCHIGDSA-N 2 1 274.405 -0.201 20 0 CBADMP NC[C@@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256849350 826035104 /nfs/dbraw/zinc/03/51/04/826035104.db2.gz WPPMNEZALKCXOJ-CYBMUJFWSA-N 2 1 250.346 -0.040 20 0 CBADMP CC(C)[NH+]1CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001257211371 826040719 /nfs/dbraw/zinc/04/07/19/826040719.db2.gz IUMWWLRXJKWTOH-UHFFFAOYSA-N 3 1 288.396 -0.003 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001261634099 826549347 /nfs/dbraw/zinc/54/93/47/826549347.db2.gz YIWXMPFWFPJWAB-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP NS(=O)(=O)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC001261637045 826551423 /nfs/dbraw/zinc/55/14/23/826551423.db2.gz FWCCVMCHYKXRCI-JTQLQIEISA-N 2 1 261.391 -0.261 20 0 CBADMP CNC(=O)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001261642565 826552724 /nfs/dbraw/zinc/55/27/24/826552724.db2.gz NCMKCMRACGXTIK-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP CNC(=O)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001261642565 826552726 /nfs/dbraw/zinc/55/27/26/826552726.db2.gz NCMKCMRACGXTIK-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(CC(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC001261853368 826598479 /nfs/dbraw/zinc/59/84/79/826598479.db2.gz FPQPQVUEHNITMG-CHWSQXEVSA-N 2 1 266.389 -0.556 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001262066819 826630336 /nfs/dbraw/zinc/63/03/36/826630336.db2.gz LMIVIPXLXWZHFA-AVGNSLFASA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001262071361 826631599 /nfs/dbraw/zinc/63/15/99/826631599.db2.gz XTNFFGMNGZFWIL-SRVKXCTJSA-N 2 1 282.388 -0.608 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262073468 826632409 /nfs/dbraw/zinc/63/24/09/826632409.db2.gz SIXDERXRTGXFGT-TUAOUCFPSA-N 2 1 282.388 -0.608 20 0 CBADMP C([C@@H]1CC2(C[NH2+]C2)CO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001262195397 826657426 /nfs/dbraw/zinc/65/74/26/826657426.db2.gz ZFFXGEXMOJFHOG-KGLIPLIRSA-N 2 1 280.416 -0.656 20 0 CBADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001262194824 826657464 /nfs/dbraw/zinc/65/74/64/826657464.db2.gz DWQMJQRGBJSYCB-NSHDSACASA-N 2 1 257.334 -0.469 20 0 CBADMP CC[N@H+]1CCC[C@H](CNS(=O)(=O)C2C[NH2+]C2)C1 ZINC001262196155 826658771 /nfs/dbraw/zinc/65/87/71/826658771.db2.gz ZOHLMLFKGRUKJY-SNVBAGLBSA-N 2 1 261.391 -0.391 20 0 CBADMP CN1CC[C@@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001262499475 826695373 /nfs/dbraw/zinc/69/53/73/826695373.db2.gz LXTCQOMLDJKTKG-CHWSQXEVSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001262499475 826695378 /nfs/dbraw/zinc/69/53/78/826695378.db2.gz LXTCQOMLDJKTKG-CHWSQXEVSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001262499475 826695382 /nfs/dbraw/zinc/69/53/82/826695382.db2.gz LXTCQOMLDJKTKG-CHWSQXEVSA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001262499475 826695388 /nfs/dbraw/zinc/69/53/88/826695388.db2.gz LXTCQOMLDJKTKG-CHWSQXEVSA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001262499475 826695399 /nfs/dbraw/zinc/69/53/99/826695399.db2.gz LXTCQOMLDJKTKG-CHWSQXEVSA-N 2 1 294.399 -0.497 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC[N@H+]1C ZINC001262542361 826703123 /nfs/dbraw/zinc/70/31/23/826703123.db2.gz YNRZGXHYROGICC-NDBYEHHHSA-N 2 1 296.415 -0.171 20 0 CBADMP C[N@@H+]1CC=C(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001262567104 826709648 /nfs/dbraw/zinc/70/96/48/826709648.db2.gz JBXDSSCZHTVRSP-KBPBESRZSA-N 2 1 270.373 -0.260 20 0 CBADMP C[N@@H+]1CC=C(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001262567105 826709977 /nfs/dbraw/zinc/70/99/77/826709977.db2.gz JBXDSSCZHTVRSP-KGLIPLIRSA-N 2 1 270.373 -0.260 20 0 CBADMP C[C@@H](C[NH2+]CC1(O)CC[NH+](C)CC1)S(C)(=O)=O ZINC001262567262 826710367 /nfs/dbraw/zinc/71/03/67/826710367.db2.gz NRVWXIFQULCDPP-JTQLQIEISA-N 2 1 264.391 -0.534 20 0 CBADMP Cn1c[nH+]cc1CC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC001262564405 826710615 /nfs/dbraw/zinc/71/06/15/826710615.db2.gz HYRBWCMZALZXPH-QWHCGFSZSA-N 2 1 269.345 -0.545 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001262600768 826717238 /nfs/dbraw/zinc/71/72/38/826717238.db2.gz LJKIDYLZEZSGQY-NHCYSSNCSA-N 2 1 256.350 -0.911 20 0 CBADMP CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001263062201 826731536 /nfs/dbraw/zinc/73/15/36/826731536.db2.gz NLOZMBNMQWRVPF-VXGBXAGGSA-N 2 1 254.378 -0.510 20 0 CBADMP CC(C)(O)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001263099568 826736213 /nfs/dbraw/zinc/73/62/13/826736213.db2.gz OBVSXDVUGJPDHV-GHMZBOCLSA-N 2 1 255.362 -0.315 20 0 CBADMP [NH3+][C@@H](CNC(=O)C[NH+]1CCC(CO)CC1)C1CC1 ZINC001263104649 826737707 /nfs/dbraw/zinc/73/77/07/826737707.db2.gz ORDAJBUVCOMQCY-LBPRGKRZSA-N 2 1 255.362 -0.456 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001263104895 826737874 /nfs/dbraw/zinc/73/78/74/826737874.db2.gz XHKCMVUJRWWSLS-VHSXEESVSA-N 2 1 263.345 -0.191 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1C[NH3+])CN1CC[NH+](C)CC1 ZINC001263103178 826738160 /nfs/dbraw/zinc/73/81/60/826738160.db2.gz RJHSPWYTUAECSI-YNEHKIRRSA-N 2 1 268.405 -0.419 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001263102641 826738238 /nfs/dbraw/zinc/73/82/38/826738238.db2.gz ATIAIFXDXLIASQ-DVVUODLYSA-N 2 1 255.362 -0.317 20 0 CBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CNCC[NH3+])CC1 ZINC001263103908 826738406 /nfs/dbraw/zinc/73/84/06/826738406.db2.gz PXJVCADLNLLLQE-UHFFFAOYSA-N 3 1 292.387 -0.680 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC001263110336 826740360 /nfs/dbraw/zinc/74/03/60/826740360.db2.gz SZPRWLDQMKWIDH-FDYHWXHSSA-N 2 1 266.389 -0.382 20 0 CBADMP C[NH2+][C@@H](C(=O)NCCC[NH2+]C1CC1)c1cnn(C)c1 ZINC001263134744 826743104 /nfs/dbraw/zinc/74/31/04/826743104.db2.gz BSHCJVBQUKDMAA-GFCCVEGCSA-N 2 1 265.361 -0.061 20 0 CBADMP [NH3+]CCNCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001263153421 826745233 /nfs/dbraw/zinc/74/52/33/826745233.db2.gz LZDNTTOSIDFUSB-RYUDHWBXSA-N 2 1 254.378 -0.332 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C[NH2+]1 ZINC001263167148 826747395 /nfs/dbraw/zinc/74/73/95/826747395.db2.gz BTTAXNNKYCSEAB-NDBYEHHHSA-N 2 1 266.389 -0.369 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)C[NH2+]1 ZINC001263167147 826747415 /nfs/dbraw/zinc/74/74/15/826747415.db2.gz BTTAXNNKYCSEAB-MROQNXINSA-N 2 1 266.389 -0.369 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2C[NH2+]1 ZINC001263175193 826749514 /nfs/dbraw/zinc/74/95/14/826749514.db2.gz VYFUPOCMGSSIIV-BBBLOLIVSA-N 2 1 263.345 -0.158 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001263187743 826751981 /nfs/dbraw/zinc/75/19/81/826751981.db2.gz WSZPSDHXTHEYLU-KBVBSXBZSA-N 2 1 263.345 -0.288 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001263203045 826752795 /nfs/dbraw/zinc/75/27/95/826752795.db2.gz RQVRKWORDQOWAW-OPRDCNLKSA-N 2 1 257.334 -0.524 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCN1CCC([NH3+])CC1 ZINC001263191840 826753323 /nfs/dbraw/zinc/75/33/23/826753323.db2.gz BSVGGYBOAAMCHG-UHFFFAOYSA-N 3 1 256.394 -0.133 20 0 CBADMP CN1CCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC[N@@H+](C)CC1 ZINC001263245682 826757921 /nfs/dbraw/zinc/75/79/21/826757921.db2.gz QVEKZMNYQKUFRO-RDBSUJKOSA-N 2 1 280.416 -0.452 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001263274419 826760417 /nfs/dbraw/zinc/76/04/17/826760417.db2.gz BNLPZPWSPLUWEL-NQBHXWOUSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CCOCCO ZINC001264155455 826800517 /nfs/dbraw/zinc/80/05/17/826800517.db2.gz VAJNJBLOJYPHNM-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CCOCCO ZINC001264155455 826800529 /nfs/dbraw/zinc/80/05/29/826800529.db2.gz VAJNJBLOJYPHNM-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CCOCCO ZINC001264155455 826800543 /nfs/dbraw/zinc/80/05/43/826800543.db2.gz VAJNJBLOJYPHNM-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)CC(N)=O ZINC001265000806 826828757 /nfs/dbraw/zinc/82/87/57/826828757.db2.gz FDBOKUSRUDPLGB-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC(N)=O ZINC001265000806 826828727 /nfs/dbraw/zinc/82/87/27/826828727.db2.gz FDBOKUSRUDPLGB-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)CC(N)=O ZINC001265000806 826828744 /nfs/dbraw/zinc/82/87/44/826828744.db2.gz FDBOKUSRUDPLGB-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CC[C@H](C(=O)NCCC[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001265060079 826842365 /nfs/dbraw/zinc/84/23/65/826842365.db2.gz VOZNITDMQTWFNC-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001265501425 826899664 /nfs/dbraw/zinc/89/96/64/826899664.db2.gz KYQQUDCCGFCSBK-HAQNSBGRSA-N 2 1 257.378 -0.053 20 0 CBADMP CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265561809 826903665 /nfs/dbraw/zinc/90/36/65/826903665.db2.gz KQENMKHPYYCQNK-TXEJJXNPSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001265569843 826905160 /nfs/dbraw/zinc/90/51/60/826905160.db2.gz HDAAPGUUDWQMEU-RWMBFGLXSA-N 2 1 285.388 -0.816 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CCOCCO ZINC001265790659 826918781 /nfs/dbraw/zinc/91/87/81/826918781.db2.gz QERYOEPHVCIKEQ-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001265852566 826930611 /nfs/dbraw/zinc/93/06/11/826930611.db2.gz FVYHGDLXTFBUIH-ZJUUUORDSA-N 2 1 258.366 -0.704 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001265863066 826931197 /nfs/dbraw/zinc/93/11/97/826931197.db2.gz RDGILBDIIXADPS-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CCOCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001265867336 826931668 /nfs/dbraw/zinc/93/16/68/826931668.db2.gz OFTGYCCAHMLZIW-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001265867336 826931674 /nfs/dbraw/zinc/93/16/74/826931674.db2.gz OFTGYCCAHMLZIW-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCOCCO ZINC001265864761 826931904 /nfs/dbraw/zinc/93/19/04/826931904.db2.gz WJSQDFGMDLNMBQ-VXGBXAGGSA-N 2 1 273.377 -0.959 20 0 CBADMP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001265866328 826932492 /nfs/dbraw/zinc/93/24/92/826932492.db2.gz PDSUEBVYEBIPDV-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+](C)C[C@@H](C)O)C1 ZINC001265975982 826944260 /nfs/dbraw/zinc/94/42/60/826944260.db2.gz JBBSYKZQZXIKHU-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH+](C)C[C@@H](C)O)C1 ZINC001265975982 826944265 /nfs/dbraw/zinc/94/42/65/826944265.db2.gz JBBSYKZQZXIKHU-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCCC[N@H+](C)C[C@@H](C)O)C1 ZINC001265975982 826944268 /nfs/dbraw/zinc/94/42/68/826944268.db2.gz JBBSYKZQZXIKHU-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCCC[N@@H+](C)C[C@@H](C)O)C1 ZINC001265975982 826944274 /nfs/dbraw/zinc/94/42/74/826944274.db2.gz JBBSYKZQZXIKHU-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001265974539 826944993 /nfs/dbraw/zinc/94/49/93/826944993.db2.gz ROSWPBNADRGIMM-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CCO)C1)[NH+](C)C ZINC001266246712 826963117 /nfs/dbraw/zinc/96/31/17/826963117.db2.gz VLNDGVIWABDKOK-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001266361945 826992250 /nfs/dbraw/zinc/99/22/50/826992250.db2.gz VEMPCVUQPHVYOO-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001266361945 826992256 /nfs/dbraw/zinc/99/22/56/826992256.db2.gz VEMPCVUQPHVYOO-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001266361945 826992264 /nfs/dbraw/zinc/99/22/64/826992264.db2.gz VEMPCVUQPHVYOO-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001266361945 826992271 /nfs/dbraw/zinc/99/22/71/826992271.db2.gz VEMPCVUQPHVYOO-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CN(CC[NH2+]Cc1nncn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266660690 827041778 /nfs/dbraw/zinc/04/17/78/827041778.db2.gz PXOIQSAQDJTTLU-LLVKDONJSA-N 2 1 280.376 -0.543 20 0 CBADMP CN(CC[NH2+]Cc1nncn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001266660690 827041789 /nfs/dbraw/zinc/04/17/89/827041789.db2.gz PXOIQSAQDJTTLU-LLVKDONJSA-N 2 1 280.376 -0.543 20 0 CBADMP COCCC[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266666941 827045438 /nfs/dbraw/zinc/04/54/38/827045438.db2.gz JYXVTDJZOYFHAI-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP COCCC[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266666941 827045451 /nfs/dbraw/zinc/04/54/51/827045451.db2.gz JYXVTDJZOYFHAI-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+]C[C@H](C)O ZINC001266776543 827064145 /nfs/dbraw/zinc/06/41/45/827064145.db2.gz BPNPXHNXNRGJOL-NSHDSACASA-N 2 1 254.334 -0.380 20 0 CBADMP C[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001266808589 827070820 /nfs/dbraw/zinc/07/08/20/827070820.db2.gz KQKCPVQSODUPBW-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001266828101 827073532 /nfs/dbraw/zinc/07/35/32/827073532.db2.gz NFYBOQSOJXYPEU-CYBMUJFWSA-N 2 1 296.419 -0.051 20 0 CBADMP COCC[NH2+][C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001266977820 827101944 /nfs/dbraw/zinc/10/19/44/827101944.db2.gz DAFDCPHAGSLYSB-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP COCC[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001267081560 827112747 /nfs/dbraw/zinc/11/27/47/827112747.db2.gz NBZBTCCFTIYPGF-UHFFFAOYSA-N 2 1 254.334 -0.114 20 0 CBADMP CN(CC[NH2+]Cc1cnnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267071335 827113010 /nfs/dbraw/zinc/11/30/10/827113010.db2.gz FKIZMYDKKGSFLN-LLVKDONJSA-N 2 1 280.376 -0.685 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]CCOC)C1 ZINC001267106274 827114090 /nfs/dbraw/zinc/11/40/90/827114090.db2.gz TVGBDSLPAXIVGM-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]CCOC)C1 ZINC001267106274 827114093 /nfs/dbraw/zinc/11/40/93/827114093.db2.gz TVGBDSLPAXIVGM-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NC ZINC001267116783 827114236 /nfs/dbraw/zinc/11/42/36/827114236.db2.gz HKMIUAFXZANJQH-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCCO ZINC001267159503 827120843 /nfs/dbraw/zinc/12/08/43/827120843.db2.gz ZBYGTMGXAQCISK-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001267281638 827142642 /nfs/dbraw/zinc/14/26/42/827142642.db2.gz NPLYHRSVHIIJAS-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001267281638 827142647 /nfs/dbraw/zinc/14/26/47/827142647.db2.gz NPLYHRSVHIIJAS-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCOCCO)C1 ZINC001267299056 827145516 /nfs/dbraw/zinc/14/55/16/827145516.db2.gz WLJCKHXHQGHJGI-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001267299056 827145520 /nfs/dbraw/zinc/14/55/20/827145520.db2.gz WLJCKHXHQGHJGI-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001267299056 827145527 /nfs/dbraw/zinc/14/55/27/827145527.db2.gz WLJCKHXHQGHJGI-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP NC(=O)C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001267306109 827146793 /nfs/dbraw/zinc/14/67/93/827146793.db2.gz RHVHXJUHXZRCEZ-LLVKDONJSA-N 2 1 268.361 -0.994 20 0 CBADMP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001267355715 827156207 /nfs/dbraw/zinc/15/62/07/827156207.db2.gz ZCLUQMMPYBMXHH-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001267415272 827167344 /nfs/dbraw/zinc/16/73/44/827167344.db2.gz FJVFJVRDUOWLEU-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001267456533 827174222 /nfs/dbraw/zinc/17/42/22/827174222.db2.gz AKKOWFDLCOUWAO-LBPRGKRZSA-N 2 1 282.392 -0.297 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]C[C@H](C)O ZINC001267469433 827175835 /nfs/dbraw/zinc/17/58/35/827175835.db2.gz PXRXIEFSHWVMGE-JTQLQIEISA-N 2 1 254.334 -0.380 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCOCCO)C1 ZINC001267725682 827206993 /nfs/dbraw/zinc/20/69/93/827206993.db2.gz XMEIGJBVVJIOFT-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCOCCO)C1 ZINC001267725682 827206995 /nfs/dbraw/zinc/20/69/95/827206995.db2.gz XMEIGJBVVJIOFT-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001267725682 827206998 /nfs/dbraw/zinc/20/69/98/827206998.db2.gz XMEIGJBVVJIOFT-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCCO)C1 ZINC001267735405 827211420 /nfs/dbraw/zinc/21/14/20/827211420.db2.gz UJBALNXQJIABAI-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001267735405 827211426 /nfs/dbraw/zinc/21/14/26/827211426.db2.gz UJBALNXQJIABAI-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001267735405 827211437 /nfs/dbraw/zinc/21/14/37/827211437.db2.gz UJBALNXQJIABAI-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP COCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267758452 827215048 /nfs/dbraw/zinc/21/50/48/827215048.db2.gz BOIFCUANGOHZQI-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267758452 827215050 /nfs/dbraw/zinc/21/50/50/827215050.db2.gz BOIFCUANGOHZQI-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001267758452 827215052 /nfs/dbraw/zinc/21/50/52/827215052.db2.gz BOIFCUANGOHZQI-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP COCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001267758452 827215055 /nfs/dbraw/zinc/21/50/55/827215055.db2.gz BOIFCUANGOHZQI-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001268100293 827257411 /nfs/dbraw/zinc/25/74/11/827257411.db2.gz VFDHYQQOIOGNHF-SNVBAGLBSA-N 2 1 258.366 -0.752 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]CCF ZINC001267983800 827237217 /nfs/dbraw/zinc/23/72/17/827237217.db2.gz LMANASMFDGCXNS-QWRGUYRKSA-N 2 1 261.341 -0.372 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]CCF ZINC001267983800 827237224 /nfs/dbraw/zinc/23/72/24/827237224.db2.gz LMANASMFDGCXNS-QWRGUYRKSA-N 2 1 261.341 -0.372 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]CCF ZINC001267983798 827237237 /nfs/dbraw/zinc/23/72/37/827237237.db2.gz LMANASMFDGCXNS-MNOVXSKESA-N 2 1 261.341 -0.372 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]CCF ZINC001267983798 827237242 /nfs/dbraw/zinc/23/72/42/827237242.db2.gz LMANASMFDGCXNS-MNOVXSKESA-N 2 1 261.341 -0.372 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001268100292 827257371 /nfs/dbraw/zinc/25/73/71/827257371.db2.gz VFDHYQQOIOGNHF-JTQLQIEISA-N 2 1 258.366 -0.752 20 0 CBADMP CCN(CC[NH2+]CCn1cncn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001268438929 827327358 /nfs/dbraw/zinc/32/73/58/827327358.db2.gz LHGRLNSEXFRBDJ-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP COCCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268519806 827351651 /nfs/dbraw/zinc/35/16/51/827351651.db2.gz GCTVTBSRSGATLM-SCOBNMCVSA-N 2 1 285.388 -0.385 20 0 CBADMP COCCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268519806 827351653 /nfs/dbraw/zinc/35/16/53/827351653.db2.gz GCTVTBSRSGATLM-SCOBNMCVSA-N 2 1 285.388 -0.385 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001268556507 827361968 /nfs/dbraw/zinc/36/19/68/827361968.db2.gz PNLXANMCTABWTA-JQSFKPKSSA-N 2 1 296.415 -0.133 20 0 CBADMP C[N@@H+](CC(=O)NC/C=C\C[NH2+]CCO)C1CCC1 ZINC001268549476 827363479 /nfs/dbraw/zinc/36/34/79/827363479.db2.gz GUVZDHRLNVSUIF-IHWYPQMZSA-N 2 1 255.362 -0.275 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001268559883 827364039 /nfs/dbraw/zinc/36/40/39/827364039.db2.gz IMAMSQWGGACUCU-SCOBNMCVSA-N 2 1 296.415 -0.146 20 0 CBADMP COC[C@@H](O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001268557393 827365002 /nfs/dbraw/zinc/36/50/02/827365002.db2.gz VCVCZTRGPGDRPB-OQOSRZTISA-N 2 1 299.415 -0.260 20 0 CBADMP CNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268557074 827365270 /nfs/dbraw/zinc/36/52/70/827365270.db2.gz SMSQJGCQNTVEHE-ITKZLYELSA-N 2 1 282.388 -0.521 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCO ZINC001268557730 827365460 /nfs/dbraw/zinc/36/54/60/827365460.db2.gz XSUHTUQVZBDFSS-AAOUONPWSA-N 2 1 255.362 -0.275 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC/C=C/C[NH2+]C[C@@H](C)O ZINC001268568804 827367809 /nfs/dbraw/zinc/36/78/09/827367809.db2.gz ZSBHJQJKEGAQHW-AAOUONPWSA-N 2 1 266.345 -0.166 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268847236 827430505 /nfs/dbraw/zinc/43/05/05/827430505.db2.gz FZWGCLAGFOEJNE-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]([NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001268916166 827439005 /nfs/dbraw/zinc/43/90/05/827439005.db2.gz ZRRKYFYADBHHAZ-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOCCO)C1 ZINC001268988573 827446229 /nfs/dbraw/zinc/44/62/29/827446229.db2.gz RFGCDABNXUBFTG-IHRRRGAJSA-N 2 1 297.399 -0.768 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOCCO)C1 ZINC001268988573 827446231 /nfs/dbraw/zinc/44/62/31/827446231.db2.gz RFGCDABNXUBFTG-IHRRRGAJSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOCCO)C1 ZINC001268988573 827446236 /nfs/dbraw/zinc/44/62/36/827446236.db2.gz RFGCDABNXUBFTG-IHRRRGAJSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOCCO)C1 ZINC001268988573 827446239 /nfs/dbraw/zinc/44/62/39/827446239.db2.gz RFGCDABNXUBFTG-IHRRRGAJSA-N 2 1 297.399 -0.768 20 0 CBADMP CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)C(N)=[NH2+] ZINC001268997208 827447174 /nfs/dbraw/zinc/44/71/74/827447174.db2.gz XCLMJFBYDADLMF-RYUDHWBXSA-N 2 1 296.419 -0.952 20 0 CBADMP CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)C(N)=[NH2+] ZINC001268997208 827447177 /nfs/dbraw/zinc/44/71/77/827447177.db2.gz XCLMJFBYDADLMF-RYUDHWBXSA-N 2 1 296.419 -0.952 20 0 CBADMP CN(CC(=O)N1CCC[C@@]2(C1)C[N@H+](C)CCO2)C(N)=[NH2+] ZINC001268996507 827447521 /nfs/dbraw/zinc/44/75/21/827447521.db2.gz MCOVUYJXAHFATG-ZDUSSCGKSA-N 2 1 283.376 -0.865 20 0 CBADMP CN(CC(=O)N1CCC[C@@]2(C1)C[N@@H+](C)CCO2)C(N)=[NH2+] ZINC001268996507 827447527 /nfs/dbraw/zinc/44/75/27/827447527.db2.gz MCOVUYJXAHFATG-ZDUSSCGKSA-N 2 1 283.376 -0.865 20 0 CBADMP C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](CCO)CCO)CC2 ZINC001269095721 827462743 /nfs/dbraw/zinc/46/27/43/827462743.db2.gz UAVHULIRKSLUBD-UHFFFAOYSA-N 2 1 299.415 -0.783 20 0 CBADMP C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](CCO)CCO)CC2 ZINC001269095721 827462746 /nfs/dbraw/zinc/46/27/46/827462746.db2.gz UAVHULIRKSLUBD-UHFFFAOYSA-N 2 1 299.415 -0.783 20 0 CBADMP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269094781 827463311 /nfs/dbraw/zinc/46/33/11/827463311.db2.gz KCSHOVHSERGRIO-OAHLLOKOSA-N 2 1 299.415 -0.783 20 0 CBADMP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269094781 827463314 /nfs/dbraw/zinc/46/33/14/827463314.db2.gz KCSHOVHSERGRIO-OAHLLOKOSA-N 2 1 299.415 -0.783 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001269332293 827494040 /nfs/dbraw/zinc/49/40/40/827494040.db2.gz PSDNFKVCLYPBOT-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CC[N@@H+]2CCCO)C1 ZINC001269332293 827494044 /nfs/dbraw/zinc/49/40/44/827494044.db2.gz PSDNFKVCLYPBOT-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CC[N@H+]2CCCO)C1 ZINC001269332293 827494049 /nfs/dbraw/zinc/49/40/49/827494049.db2.gz PSDNFKVCLYPBOT-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CCO)C1)[NH+](C)C ZINC001270599755 827581233 /nfs/dbraw/zinc/58/12/33/827581233.db2.gz MSVZRXLPJIVCKW-YPMHNXCESA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+](C)CC(=O)N1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001271085201 827621579 /nfs/dbraw/zinc/62/15/79/827621579.db2.gz VYRUWBDJTLOLTI-UHFFFAOYSA-N 2 1 268.405 -0.356 20 0 CBADMP C[C@@H](C(=O)N1CC[N@H+](C)C[C@]2(CCCC(=O)N2)C1)[NH+](C)C ZINC001271148070 827629636 /nfs/dbraw/zinc/62/96/36/827629636.db2.gz SYBUHVBTWZYVOE-SWLSCSKDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@]2(CCCC(=O)N2)C1)[NH+](C)C ZINC001271148070 827629644 /nfs/dbraw/zinc/62/96/44/827629644.db2.gz SYBUHVBTWZYVOE-SWLSCSKDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+](C)C3)C[C@@H](C1)O2 ZINC001271521548 827707880 /nfs/dbraw/zinc/70/78/80/827707880.db2.gz XPJZGDXCIJSHCQ-UPJWGTAASA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](C)C3)C[C@@H](C1)O2 ZINC001271521548 827707884 /nfs/dbraw/zinc/70/78/84/827707884.db2.gz XPJZGDXCIJSHCQ-UPJWGTAASA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)C1 ZINC001271521548 827707890 /nfs/dbraw/zinc/70/78/90/827707890.db2.gz XPJZGDXCIJSHCQ-UPJWGTAASA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)C1 ZINC001271521548 827707891 /nfs/dbraw/zinc/70/78/91/827707891.db2.gz XPJZGDXCIJSHCQ-UPJWGTAASA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCN(CC(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3C)CC1 ZINC001271905843 827734377 /nfs/dbraw/zinc/73/43/77/827734377.db2.gz QVGLRHMZFIDXMB-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(CC[N@@H+](C)CCCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001271977539 827745170 /nfs/dbraw/zinc/74/51/70/827745170.db2.gz PRXDTYHLUYHYKX-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CN(CC[NH+](C)CCCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001271977539 827745176 /nfs/dbraw/zinc/74/51/76/827745176.db2.gz PRXDTYHLUYHYKX-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CN(CC[NH+](C)CCCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001271977539 827745181 /nfs/dbraw/zinc/74/51/81/827745181.db2.gz PRXDTYHLUYHYKX-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+](C)C2 ZINC001272273498 827775935 /nfs/dbraw/zinc/77/59/35/827775935.db2.gz ODWLMZVTVOLBND-RHYQMDGZSA-N 2 1 253.346 -0.786 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+](C)C2 ZINC001272273498 827775943 /nfs/dbraw/zinc/77/59/43/827775943.db2.gz ODWLMZVTVOLBND-RHYQMDGZSA-N 2 1 253.346 -0.786 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+](C)C2 ZINC001272273498 827775948 /nfs/dbraw/zinc/77/59/48/827775948.db2.gz ODWLMZVTVOLBND-RHYQMDGZSA-N 2 1 253.346 -0.786 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+](C)C2 ZINC001272273498 827775952 /nfs/dbraw/zinc/77/59/52/827775952.db2.gz ODWLMZVTVOLBND-RHYQMDGZSA-N 2 1 253.346 -0.786 20 0 CBADMP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cc1ccnc(N)c1 ZINC001272304881 827779315 /nfs/dbraw/zinc/77/93/15/827779315.db2.gz ZIGABVAWODMFDG-TXEJJXNPSA-N 2 1 276.340 -0.252 20 0 CBADMP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cc1ccnc(N)c1 ZINC001272304881 827779320 /nfs/dbraw/zinc/77/93/20/827779320.db2.gz ZIGABVAWODMFDG-TXEJJXNPSA-N 2 1 276.340 -0.252 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001272479443 827803825 /nfs/dbraw/zinc/80/38/25/827803825.db2.gz JYKVTWQVRLEHEQ-LBPRGKRZSA-N 2 1 266.345 -0.332 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]C/C=C/Cl ZINC001272496193 827807040 /nfs/dbraw/zinc/80/70/40/827807040.db2.gz MRTDHLSRIKQGEE-FWCMMDKOSA-N 2 1 275.780 -0.100 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001272534112 827816241 /nfs/dbraw/zinc/81/62/41/827816241.db2.gz FWGGZHXKDXGRIF-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC2(C[NH+](C)C2)CC1 ZINC001272555154 827821426 /nfs/dbraw/zinc/82/14/26/827821426.db2.gz LFJFWOQPNINKEI-CYBMUJFWSA-N 2 1 280.416 -0.214 20 0 CBADMP CN1C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030657 827856249 /nfs/dbraw/zinc/85/62/49/827856249.db2.gz NGUGNGDCSHRTRS-AWEZNQCLSA-N 2 1 267.373 -0.081 20 0 CBADMP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C[NH+]1CC[C@@H](O)C1 ZINC001273070093 827860986 /nfs/dbraw/zinc/86/09/86/827860986.db2.gz QZTZGZLRSICGRF-WOPDTQHZSA-N 2 1 253.346 -0.642 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C[NH+]1CC[C@@H](O)C1 ZINC001273070093 827860989 /nfs/dbraw/zinc/86/09/89/827860989.db2.gz QZTZGZLRSICGRF-WOPDTQHZSA-N 2 1 253.346 -0.642 20 0 CBADMP C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001273070093 827860995 /nfs/dbraw/zinc/86/09/95/827860995.db2.gz QZTZGZLRSICGRF-WOPDTQHZSA-N 2 1 253.346 -0.642 20 0 CBADMP C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001273070093 827861001 /nfs/dbraw/zinc/86/10/01/827861001.db2.gz QZTZGZLRSICGRF-WOPDTQHZSA-N 2 1 253.346 -0.642 20 0 CBADMP C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CC[C@@H](O)C3)C[C@H]2CC1 ZINC001273070028 827861072 /nfs/dbraw/zinc/86/10/72/827861072.db2.gz PPLJJRFUTMRMDR-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C[C@H]2CC1 ZINC001273070028 827861078 /nfs/dbraw/zinc/86/10/78/827861078.db2.gz PPLJJRFUTMRMDR-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C[C@H]2CC1 ZINC001273070028 827861085 /nfs/dbraw/zinc/86/10/85/827861085.db2.gz PPLJJRFUTMRMDR-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001273122991 827866552 /nfs/dbraw/zinc/86/65/52/827866552.db2.gz LVDWGSIJGJGUFS-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CCN(CC[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273298409 827888125 /nfs/dbraw/zinc/88/81/25/827888125.db2.gz OKBILAAVAIKQFB-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CCN(CC[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001273298409 827888132 /nfs/dbraw/zinc/88/81/32/827888132.db2.gz OKBILAAVAIKQFB-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CCN(CC[NH2+]CCOC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001273311048 827889340 /nfs/dbraw/zinc/88/93/40/827889340.db2.gz AQZDFWUYJJFBCX-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CCN(CC[NH2+]CCOC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001273311048 827889351 /nfs/dbraw/zinc/88/93/51/827889351.db2.gz AQZDFWUYJJFBCX-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273703099 827919981 /nfs/dbraw/zinc/91/99/81/827919981.db2.gz CDCAQERSDDSROJ-SWLSCSKDSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273703099 827919983 /nfs/dbraw/zinc/91/99/83/827919983.db2.gz CDCAQERSDDSROJ-SWLSCSKDSA-N 2 1 296.415 -0.121 20 0 CBADMP CCNC(=O)C[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273699510 827920426 /nfs/dbraw/zinc/92/04/26/827920426.db2.gz MRRUUZAXZRTQTD-OAHLLOKOSA-N 2 1 296.415 -0.249 20 0 CBADMP CCNC(=O)C[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273699510 827920429 /nfs/dbraw/zinc/92/04/29/827920429.db2.gz MRRUUZAXZRTQTD-OAHLLOKOSA-N 2 1 296.415 -0.249 20 0 CBADMP CC(=O)[C@@H](C)N1CC[C@@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001273982141 827948261 /nfs/dbraw/zinc/94/82/61/827948261.db2.gz IYVOLOALNGWPJP-IUODEOHRSA-N 2 1 297.399 -0.171 20 0 CBADMP CC(=O)[C@H](C)N1CC[C@@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001273982142 827948283 /nfs/dbraw/zinc/94/82/83/827948283.db2.gz IYVOLOALNGWPJP-SWLSCSKDSA-N 2 1 297.399 -0.171 20 0 CBADMP CC(=O)[C@@H](C)N1CC[C@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001273982140 827948621 /nfs/dbraw/zinc/94/86/21/827948621.db2.gz IYVOLOALNGWPJP-DOMZBBRYSA-N 2 1 297.399 -0.171 20 0 CBADMP C[C@@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274046478 827956083 /nfs/dbraw/zinc/95/60/83/827956083.db2.gz FDUJSHMINAAQGR-HIFRSBDPSA-N 2 1 299.415 -0.520 20 0 CBADMP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)C1CCC1 ZINC001274088353 827967692 /nfs/dbraw/zinc/96/76/92/827967692.db2.gz GQIZVQAXQJBNGQ-SNAWJCMRSA-N 2 1 296.415 -0.179 20 0 CBADMP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)C1CCC1 ZINC001274088352 827967932 /nfs/dbraw/zinc/96/79/32/827967932.db2.gz GQIZVQAXQJBNGQ-PLNGDYQASA-N 2 1 296.415 -0.179 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H]1CCNC1=O ZINC001274133953 827969868 /nfs/dbraw/zinc/96/98/68/827969868.db2.gz OTUNCRZDQAQMMD-HORCIZIBSA-N 2 1 294.399 -0.379 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+][C@@H]2CCNC2=O)C1 ZINC001274367974 827985668 /nfs/dbraw/zinc/98/56/68/827985668.db2.gz IAGTZOJRXUQBDW-XCUNLHGCSA-N 2 1 294.399 -0.521 20 0 CBADMP CNC(=O)C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001274369006 827987027 /nfs/dbraw/zinc/98/70/27/827987027.db2.gz OWCZHYSMPORXQM-VOTSOKGWSA-N 2 1 298.431 -0.028 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC2CC2)C1 ZINC001274578077 828003249 /nfs/dbraw/zinc/00/32/49/828003249.db2.gz FBONLOBBJLDQJV-DLGQBQFBSA-N 2 1 294.399 -0.521 20 0 CBADMP CNC(=O)C[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1C ZINC001274577732 828003972 /nfs/dbraw/zinc/00/39/72/828003972.db2.gz BQUWTFQGMPXYGI-ONEGZZNKSA-N 2 1 279.344 -0.800 20 0 CBADMP CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001274580622 828006099 /nfs/dbraw/zinc/00/60/99/828006099.db2.gz GZPYVWQCNYBOIE-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001274580623 828006418 /nfs/dbraw/zinc/00/64/18/828006418.db2.gz GZPYVWQCNYBOIE-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274643341 828015945 /nfs/dbraw/zinc/01/59/45/828015945.db2.gz OIKWDQQBRJAEJO-DZGCQCFKSA-N 2 1 299.415 -0.520 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001274888196 828039435 /nfs/dbraw/zinc/03/94/35/828039435.db2.gz JTJZBZPDNBCFSD-UTUOFQBUSA-N 2 1 257.378 -0.054 20 0 CBADMP COCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001274981056 828047161 /nfs/dbraw/zinc/04/71/61/828047161.db2.gz XNALXXDHWMTOBA-RYUDHWBXSA-N 2 1 267.373 -0.225 20 0 CBADMP CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001275105473 828059577 /nfs/dbraw/zinc/05/95/77/828059577.db2.gz UJBFVXITHGHSKM-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001275105473 828059586 /nfs/dbraw/zinc/05/95/86/828059586.db2.gz UJBFVXITHGHSKM-RYUDHWBXSA-N 2 1 273.377 -0.552 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCOCCO)C1 ZINC001275210055 828067496 /nfs/dbraw/zinc/06/74/96/828067496.db2.gz OSUIUNQBUJMRBU-RUXDESIVSA-N 2 1 299.415 -0.426 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CC(C[NH2+]CCO)C1 ZINC001275331558 828078893 /nfs/dbraw/zinc/07/88/93/828078893.db2.gz MLTPURWLOZYGMZ-UHFFFAOYSA-N 2 1 257.378 -0.197 20 0 CBADMP C[C@@H](C[NH2+]CCCO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001275406622 828084674 /nfs/dbraw/zinc/08/46/74/828084674.db2.gz OUBCKAIFMJHUIP-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001275451052 828088161 /nfs/dbraw/zinc/08/81/61/828088161.db2.gz HDDSJZPRVLHPFG-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001275451052 828088170 /nfs/dbraw/zinc/08/81/70/828088170.db2.gz HDDSJZPRVLHPFG-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001275697837 828108245 /nfs/dbraw/zinc/10/82/45/828108245.db2.gz NAURXHHHAMMHAQ-NXEZZACHSA-N 2 1 258.366 -0.752 20 0 CBADMP CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001275697837 828108249 /nfs/dbraw/zinc/10/82/49/828108249.db2.gz NAURXHHHAMMHAQ-NXEZZACHSA-N 2 1 258.366 -0.752 20 0 CBADMP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001275697838 828108509 /nfs/dbraw/zinc/10/85/09/828108509.db2.gz NAURXHHHAMMHAQ-UWVGGRQHSA-N 2 1 258.366 -0.752 20 0 CBADMP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001275697838 828108513 /nfs/dbraw/zinc/10/85/13/828108513.db2.gz NAURXHHHAMMHAQ-UWVGGRQHSA-N 2 1 258.366 -0.752 20 0 CBADMP CN(CCC[NH2+]Cc1nncn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001275914753 828122933 /nfs/dbraw/zinc/12/29/33/828122933.db2.gz CLSJESXKCQVSCS-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CCOCCO ZINC001276002256 828129651 /nfs/dbraw/zinc/12/96/51/828129651.db2.gz JSINLDVKZHCKTK-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CCOCCO ZINC001276002256 828129655 /nfs/dbraw/zinc/12/96/55/828129655.db2.gz JSINLDVKZHCKTK-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CCOCCO ZINC001276002256 828129657 /nfs/dbraw/zinc/12/96/57/828129657.db2.gz JSINLDVKZHCKTK-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c[nH]c(=O)[nH]c1=O ZINC001276111014 828135223 /nfs/dbraw/zinc/13/52/23/828135223.db2.gz SKVYCKPKEXWLFH-TXEJJXNPSA-N 2 1 293.371 -0.292 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1c[nH]c(=O)[nH]c1=O ZINC001276111014 828135226 /nfs/dbraw/zinc/13/52/26/828135226.db2.gz SKVYCKPKEXWLFH-TXEJJXNPSA-N 2 1 293.371 -0.292 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CCC[NH2+][C@H]1CCNC1=O ZINC001276339647 828142581 /nfs/dbraw/zinc/14/25/81/828142581.db2.gz IQVISLRLUMFSBL-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1C[NH+](CCO)C1 ZINC001276433738 828146293 /nfs/dbraw/zinc/14/62/93/828146293.db2.gz WICLIRPJFHVZHZ-RYUDHWBXSA-N 2 1 269.389 -0.243 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C[C@H](C)O ZINC001276956893 828168069 /nfs/dbraw/zinc/16/80/69/828168069.db2.gz PKCHPWVJEKTFMK-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1C[C@H](C)O ZINC001276956893 828168075 /nfs/dbraw/zinc/16/80/75/828168075.db2.gz PKCHPWVJEKTFMK-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1C[C@H](C)O ZINC001276956893 828168078 /nfs/dbraw/zinc/16/80/78/828168078.db2.gz PKCHPWVJEKTFMK-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001277299121 828182002 /nfs/dbraw/zinc/18/20/02/828182002.db2.gz MJNACKCGTNLZPG-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CCn3ccnc3)C[C@H]21 ZINC001277544551 828193619 /nfs/dbraw/zinc/19/36/19/828193619.db2.gz KGCUCRLWQAGYOB-CABCVRRESA-N 2 1 293.415 -0.170 20 0 CBADMP CN(C)C(=O)CC[N@@H+]1[C@@H]2C[C@H]1CN(CC[NH+](C)C)C2 ZINC001277635850 828199835 /nfs/dbraw/zinc/19/98/35/828199835.db2.gz CPNUJVISFBMUBU-BETUJISGSA-N 2 1 268.405 -0.215 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001277707217 828205177 /nfs/dbraw/zinc/20/51/77/828205177.db2.gz XDSBEQDAAUCWBQ-NSHDSACASA-N 2 1 257.378 -0.150 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001277707217 828205184 /nfs/dbraw/zinc/20/51/84/828205184.db2.gz XDSBEQDAAUCWBQ-NSHDSACASA-N 2 1 257.378 -0.150 20 0 CBADMP COC(=O)CC[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001277872227 828215585 /nfs/dbraw/zinc/21/55/85/828215585.db2.gz RFNWJPSINQXQFW-UHFFFAOYSA-N 2 1 255.362 -0.129 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](CC(C)(C)CO)C[C@H](C1)O2 ZINC001277968777 828223421 /nfs/dbraw/zinc/22/34/21/828223421.db2.gz WNUSOCDQXNKOEF-OKILXGFUSA-N 2 1 285.432 -0.049 20 0 CBADMP C[C@H](CO)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001277994371 828227565 /nfs/dbraw/zinc/22/75/65/828227565.db2.gz MNHIBXWBJYKOOG-AVGNSLFASA-N 2 1 281.400 -0.243 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001277994958 828227660 /nfs/dbraw/zinc/22/76/60/828227660.db2.gz LSZVDUFKUWCENV-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCCO)C1 ZINC001277997671 828228164 /nfs/dbraw/zinc/22/81/64/828228164.db2.gz QAZYITQWXNUHMV-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H]2CC[NH+](COCCOC)CC[C@@H]2C1 ZINC001278011474 828230078 /nfs/dbraw/zinc/23/00/78/828230078.db2.gz SNICWHMXCXVOLY-OKILXGFUSA-N 2 1 299.415 -0.003 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H]2CC[N@@H+](COCCOC)CC[C@@H]2C1 ZINC001278011474 828230085 /nfs/dbraw/zinc/23/00/85/828230085.db2.gz SNICWHMXCXVOLY-OKILXGFUSA-N 2 1 299.415 -0.003 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H]2CC[N@H+](COCCOC)CC[C@@H]2C1 ZINC001278011474 828230090 /nfs/dbraw/zinc/23/00/90/828230090.db2.gz SNICWHMXCXVOLY-OKILXGFUSA-N 2 1 299.415 -0.003 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001278013191 828230308 /nfs/dbraw/zinc/23/03/08/828230308.db2.gz LNUQYFXKZOMFMN-RYUDHWBXSA-N 2 1 254.378 -0.557 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001278012724 828230873 /nfs/dbraw/zinc/23/08/73/828230873.db2.gz GIPQRJZWBOOBGJ-OAHLLOKOSA-N 2 1 298.431 -0.539 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001278012724 828230879 /nfs/dbraw/zinc/23/08/79/828230879.db2.gz GIPQRJZWBOOBGJ-OAHLLOKOSA-N 2 1 298.431 -0.539 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001278032554 828233575 /nfs/dbraw/zinc/23/35/75/828233575.db2.gz SGAKMAWHEBVQRU-YNEHKIRRSA-N 2 1 268.405 -0.182 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CCO)C2CCCC2)C1 ZINC001278227134 828260641 /nfs/dbraw/zinc/26/06/41/828260641.db2.gz XMWKQRZYQMDNOR-KGLIPLIRSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CCO)C2CCCC2)C1 ZINC001278227134 828260645 /nfs/dbraw/zinc/26/06/45/828260645.db2.gz XMWKQRZYQMDNOR-KGLIPLIRSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@@H+]1CCC2(CN(C(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001278270954 828262908 /nfs/dbraw/zinc/26/29/08/828262908.db2.gz ORQKYZHUTOSGSF-UHFFFAOYSA-N 2 1 252.362 -0.009 20 0 CBADMP C[N@H+]1CCC2(CN(C(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001278270954 828262913 /nfs/dbraw/zinc/26/29/13/828262913.db2.gz ORQKYZHUTOSGSF-UHFFFAOYSA-N 2 1 252.362 -0.009 20 0 CBADMP CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001278804310 828291420 /nfs/dbraw/zinc/29/14/20/828291420.db2.gz PZCBNIMAYAXBNZ-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001348965790 890738042 /nfs/dbraw/zinc/73/80/42/890738042.db2.gz QUWGOBRGWONBFA-ZDUSSCGKSA-N 2 1 266.345 -0.283 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1)[NH+](C)C ZINC001150350163 884676899 /nfs/dbraw/zinc/67/68/99/884676899.db2.gz AIULVNDIZCGEHS-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374336 884778737 /nfs/dbraw/zinc/77/87/37/884778737.db2.gz BEZFQXXNYKQVPI-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)COCC[NH3+] ZINC001326324007 884987863 /nfs/dbraw/zinc/98/78/63/884987863.db2.gz SQIBNAIADJDUIE-UHFFFAOYSA-N 2 1 272.393 -0.942 20 0 CBADMP C[C@H](CNC(=O)C1([NH3+])CC1)CN1CC[NH+](C)CC1 ZINC001326409504 885020981 /nfs/dbraw/zinc/02/09/81/885020981.db2.gz ZAJGQXKKMHSRRV-LLVKDONJSA-N 2 1 254.378 -0.523 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001327064020 885240348 /nfs/dbraw/zinc/24/03/48/885240348.db2.gz LIMONUBBQPQTHM-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC001327562126 885408115 /nfs/dbraw/zinc/40/81/15/885408115.db2.gz JHPNPMLWFKMISD-GVXVVHGQSA-N 2 1 255.362 -0.443 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001328437690 885686464 /nfs/dbraw/zinc/68/64/64/885686464.db2.gz RQAHFWSTJLZTMJ-OLZOCXBDSA-N 2 1 258.362 -0.475 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001328437690 885686471 /nfs/dbraw/zinc/68/64/71/885686471.db2.gz RQAHFWSTJLZTMJ-OLZOCXBDSA-N 2 1 258.362 -0.475 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)COCC[NH3+])CC1 ZINC001328576978 885733448 /nfs/dbraw/zinc/73/34/48/885733448.db2.gz HYTINVSTAKJANZ-UHFFFAOYSA-N 2 1 272.393 -0.895 20 0 CBADMP O=C(CN1CCOC[C@H]1C1CC1)N1CCNCC1 ZINC001329500203 886095680 /nfs/dbraw/zinc/09/56/80/886095680.db2.gz ZLRWOTSAKGZNKO-LBPRGKRZSA-N 2 1 253.346 -0.471 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001331053157 886659891 /nfs/dbraw/zinc/65/98/91/886659891.db2.gz MNJGVRLINLGZHG-LLVKDONJSA-N 2 1 252.318 -0.232 20 0 CBADMP COCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001331712372 886927378 /nfs/dbraw/zinc/92/73/78/886927378.db2.gz OBTQBULNFYFLGR-QWHCGFSZSA-N 2 1 287.404 -0.428 20 0 CBADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC001332365431 887232439 /nfs/dbraw/zinc/23/24/39/887232439.db2.gz SLOQNPNSKGBWLM-NWDGAFQWSA-N 2 1 258.362 -0.177 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H](C)CCC[NH3+])c1cnn(C)c1 ZINC001332435322 887280971 /nfs/dbraw/zinc/28/09/71/887280971.db2.gz IAIIPGLPTLPZSV-KOLCDFICSA-N 2 1 253.350 -0.076 20 0 CBADMP C[C@](Cn1cccn1)([NH2+]C[C@H]1CCC[NH2+]C1)C(N)=O ZINC001334736621 888301945 /nfs/dbraw/zinc/30/19/45/888301945.db2.gz BMLOCPXHURXNIF-WCQYABFASA-N 2 1 265.361 -0.284 20 0 CBADMP C[C@@](Cn1cccn1)([NH2+]C[C@@H]1CCC[NH2+]C1)C(N)=O ZINC001334736622 888304374 /nfs/dbraw/zinc/30/43/74/888304374.db2.gz BMLOCPXHURXNIF-YPMHNXCESA-N 2 1 265.361 -0.284 20 0 CBADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC(N)=O ZINC001335384437 888519536 /nfs/dbraw/zinc/51/95/36/888519536.db2.gz OSZNBZGITIUDCW-ZDUSSCGKSA-N 2 1 265.357 -0.056 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC(N)=O ZINC001335384437 888519547 /nfs/dbraw/zinc/51/95/47/888519547.db2.gz OSZNBZGITIUDCW-ZDUSSCGKSA-N 2 1 265.357 -0.056 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CCCO1 ZINC001335521816 888553249 /nfs/dbraw/zinc/55/32/49/888553249.db2.gz MHCWKRGDJNVGAO-QWRGUYRKSA-N 2 1 251.334 -0.185 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CCCO1 ZINC001335521816 888553261 /nfs/dbraw/zinc/55/32/61/888553261.db2.gz MHCWKRGDJNVGAO-QWRGUYRKSA-N 2 1 251.334 -0.185 20 0 CBADMP C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@H]1C[N@@H+](C)CCN1C ZINC001336779113 888881043 /nfs/dbraw/zinc/88/10/43/888881043.db2.gz GSVPRZISMCISTH-SOUVJXGZSA-N 2 1 284.448 -0.333 20 0 CBADMP COCCOC[C@H](O)C[NH2+][C@H]1CCn2c[nH+]cc2C1 ZINC001338534304 889172516 /nfs/dbraw/zinc/17/25/16/889172516.db2.gz FFPSANCRGGJCNM-WCQYABFASA-N 2 1 269.345 -0.189 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001340172618 889401515 /nfs/dbraw/zinc/40/15/15/889401515.db2.gz KPSWOMMJUBIOAV-FRRDWIJNSA-N 2 1 269.389 -0.074 20 0 CBADMP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001341517044 889612743 /nfs/dbraw/zinc/61/27/43/889612743.db2.gz QVFUZQZEZQSZQC-GRYCIOLGSA-N 2 1 255.362 -0.227 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001341586571 889629591 /nfs/dbraw/zinc/62/95/91/889629591.db2.gz XYBIXNLBYUSTEI-YPMHNXCESA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@@H+](CCNC(=O)C1(C[NH3+])CC(O)C1)C(C)C ZINC001341685099 889648028 /nfs/dbraw/zinc/64/80/28/889648028.db2.gz ROZJJPOCCNKNCN-UHFFFAOYSA-N 2 1 257.378 -0.067 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1C[NH+](CCn2cncn2)C1 ZINC001443642211 912251012 /nfs/dbraw/zinc/25/10/12/912251012.db2.gz HWADWOYCKXBRCQ-UHFFFAOYSA-N 2 1 294.403 -0.332 20 0 CBADMP C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001342020998 889696641 /nfs/dbraw/zinc/69/66/41/889696641.db2.gz LYPKEHUCYLSBCJ-GRYCIOLGSA-N 2 1 255.362 -0.361 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCN([C@@H](CC)C(N)=O)C1 ZINC001443775863 912272335 /nfs/dbraw/zinc/27/23/35/912272335.db2.gz DFOMQLPNLKVXOS-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H](CC)C(N)=O)C1 ZINC001443775863 912272358 /nfs/dbraw/zinc/27/23/58/912272358.db2.gz DFOMQLPNLKVXOS-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H](CC)C(N)=O)C1 ZINC001443775863 912272378 /nfs/dbraw/zinc/27/23/78/912272378.db2.gz DFOMQLPNLKVXOS-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@@H](CC)C(N)=O)C1 ZINC001443775863 912272392 /nfs/dbraw/zinc/27/23/92/912272392.db2.gz DFOMQLPNLKVXOS-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001342155524 889722097 /nfs/dbraw/zinc/72/20/97/889722097.db2.gz KFHFBAXPACSQFJ-GFCCVEGCSA-N 2 1 256.394 -0.452 20 0 CBADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@H](C)C(=O)NC ZINC001444030962 912331262 /nfs/dbraw/zinc/33/12/62/912331262.db2.gz DFKADQKWWBNFJK-PWSUYJOCSA-N 2 1 295.387 -0.190 20 0 CBADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@@H](C)C(=O)NC ZINC001444030955 912331495 /nfs/dbraw/zinc/33/14/95/912331495.db2.gz DFKADQKWWBNFJK-JQWIXIFHSA-N 2 1 295.387 -0.190 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[N@H+]1C ZINC001342571783 889795897 /nfs/dbraw/zinc/79/58/97/889795897.db2.gz YMVUHMGICRPZBA-IJLUTSLNSA-N 2 1 282.388 -0.608 20 0 CBADMP [NH3+]C1(C(=O)NCCCCC[NH+]2CCNCC2)CC1 ZINC001342604113 889797696 /nfs/dbraw/zinc/79/76/96/889797696.db2.gz OOZHAURORVZGDR-UHFFFAOYSA-N 2 1 254.378 -0.331 20 0 CBADMP 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 ZINC001342817203 889832432 /nfs/dbraw/zinc/83/24/32/889832432.db2.gz USNRWVSBTDQOGB-OFTGVCEQSA-N 2 1 269.389 -0.341 20 0 CBADMP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001444249321 912398166 /nfs/dbraw/zinc/39/81/66/912398166.db2.gz ZNSIKIUZHNTMTD-IJLUTSLNSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1C[N@@H+](C)CCN1C ZINC001343492910 889922414 /nfs/dbraw/zinc/92/24/14/889922414.db2.gz WKERLNODCCCXKZ-RNJOBUHISA-N 2 1 268.405 -0.136 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001444313127 912422031 /nfs/dbraw/zinc/42/20/31/912422031.db2.gz YDTIPZWMZKSQNH-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001444362609 912435093 /nfs/dbraw/zinc/43/50/93/912435093.db2.gz MESVIEOYCPAJEH-PWSUYJOCSA-N 2 1 295.387 -0.332 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001444362611 912435631 /nfs/dbraw/zinc/43/56/31/912435631.db2.gz MESVIEOYCPAJEH-ZYHUDNBSSA-N 2 1 295.387 -0.332 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001344081539 890001906 /nfs/dbraw/zinc/00/19/06/890001906.db2.gz MJDIWRFDAFYPJC-BDAKNGLRSA-N 2 1 251.334 -0.288 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC001444501457 912456852 /nfs/dbraw/zinc/45/68/52/912456852.db2.gz OBIJNAPKSNCJNX-QWHCGFSZSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001444501457 912456859 /nfs/dbraw/zinc/45/68/59/912456859.db2.gz OBIJNAPKSNCJNX-QWHCGFSZSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC001444501461 912457569 /nfs/dbraw/zinc/45/75/69/912457569.db2.gz OBIJNAPKSNCJNX-STQMWFEESA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001444501461 912457577 /nfs/dbraw/zinc/45/75/77/912457577.db2.gz OBIJNAPKSNCJNX-STQMWFEESA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001444590334 912474098 /nfs/dbraw/zinc/47/40/98/912474098.db2.gz VGZWNODPJAZRJD-AAEUAGOBSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001444590334 912474113 /nfs/dbraw/zinc/47/41/13/912474113.db2.gz VGZWNODPJAZRJD-AAEUAGOBSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001444601292 912478354 /nfs/dbraw/zinc/47/83/54/912478354.db2.gz XENMRCMUSCPATB-GMTAPVOTSA-N 2 1 270.377 -0.752 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001444717478 912496808 /nfs/dbraw/zinc/49/68/08/912496808.db2.gz HRENLEFYXHKFND-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP 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 890124761 /nfs/dbraw/zinc/12/47/61/890124761.db2.gz MFNGQWBVZFAFCA-UVLXDEKHSA-N 2 1 267.373 -0.491 20 0 CBADMP CO[C@H](C)C[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001444971931 912535185 /nfs/dbraw/zinc/53/51/85/912535185.db2.gz ZMCQRFRKPDPMQM-CHWSQXEVSA-N 2 1 287.404 -0.258 20 0 CBADMP CO[C@H](C)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001444971931 912535206 /nfs/dbraw/zinc/53/52/06/912535206.db2.gz ZMCQRFRKPDPMQM-CHWSQXEVSA-N 2 1 287.404 -0.258 20 0 CBADMP CO[C@H](C)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001444971931 912535215 /nfs/dbraw/zinc/53/52/15/912535215.db2.gz ZMCQRFRKPDPMQM-CHWSQXEVSA-N 2 1 287.404 -0.258 20 0 CBADMP CO[C@H](C)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001444971931 912535232 /nfs/dbraw/zinc/53/52/32/912535232.db2.gz ZMCQRFRKPDPMQM-CHWSQXEVSA-N 2 1 287.404 -0.258 20 0 CBADMP CN(CC[N@H+](C)CC(=O)N1CCC1)C(=O)CCC[NH+](C)C ZINC001445032419 912542808 /nfs/dbraw/zinc/54/28/08/912542808.db2.gz PIJKUVGUBNNHCA-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CN(CC[N@@H+](C)CC(=O)N1CCC1)C(=O)CCC[NH+](C)C ZINC001445032419 912542823 /nfs/dbraw/zinc/54/28/23/912542823.db2.gz PIJKUVGUBNNHCA-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001445060488 912552965 /nfs/dbraw/zinc/55/29/65/912552965.db2.gz CADKCBLVODNMSK-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001445060488 912552979 /nfs/dbraw/zinc/55/29/79/912552979.db2.gz CADKCBLVODNMSK-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445060488 912552993 /nfs/dbraw/zinc/55/29/93/912552993.db2.gz CADKCBLVODNMSK-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001445060488 912553010 /nfs/dbraw/zinc/55/30/10/912553010.db2.gz CADKCBLVODNMSK-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CN(CC[N@H+](C)CC(=O)N1CCC1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001445083713 912556768 /nfs/dbraw/zinc/55/67/68/912556768.db2.gz LWVBFXQANPTDDC-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP CN(CC[N@@H+](C)CC(=O)N1CCC1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001445083713 912556787 /nfs/dbraw/zinc/55/67/87/912556787.db2.gz LWVBFXQANPTDDC-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP CN(CC[NH+](C)CC(=O)N1CCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445083713 912556803 /nfs/dbraw/zinc/55/68/03/912556803.db2.gz LWVBFXQANPTDDC-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP CN(CC[NH+](C)CC(=O)N1CCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445083713 912556821 /nfs/dbraw/zinc/55/68/21/912556821.db2.gz LWVBFXQANPTDDC-CYBMUJFWSA-N 2 1 296.415 -0.439 20 0 CBADMP c1ncn([C@H]2CC[N@H+](CCN3CC[NH2+]CC3)C2)n1 ZINC001346028429 890200136 /nfs/dbraw/zinc/20/01/36/890200136.db2.gz LZEJTHWYYJTBHU-LBPRGKRZSA-N 2 1 250.350 -0.570 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)c2cc3n(n2)C[C@H](C)[NH2+]C3)C1 ZINC001346057433 890206245 /nfs/dbraw/zinc/20/62/45/890206245.db2.gz LCUQYYDDQKXHJQ-UWVGGRQHSA-N 2 1 263.345 -0.191 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)c2cc3n(n2)C[C@@H](C)[NH2+]C3)C1 ZINC001346057432 890206308 /nfs/dbraw/zinc/20/63/08/890206308.db2.gz LCUQYYDDQKXHJQ-NXEZZACHSA-N 2 1 263.345 -0.191 20 0 CBADMP C[C@H](NC(=O)CC1([NH3+])CC1)[C@H]1CN(C)CCN1C ZINC001346228798 890241260 /nfs/dbraw/zinc/24/12/60/890241260.db2.gz MFYPAIMCXMAMTJ-WDEREUQCSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@H](NC(=O)CC1([NH3+])CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001346228798 890241277 /nfs/dbraw/zinc/24/12/77/890241277.db2.gz MFYPAIMCXMAMTJ-WDEREUQCSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@H](NC(=O)CC1([NH3+])CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001346228798 890241291 /nfs/dbraw/zinc/24/12/91/890241291.db2.gz MFYPAIMCXMAMTJ-WDEREUQCSA-N 2 1 254.378 -0.382 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(N)=O)C1 ZINC001445148429 912582789 /nfs/dbraw/zinc/58/27/89/912582789.db2.gz XFPWVHSOEHHOCH-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001445271486 912622497 /nfs/dbraw/zinc/62/24/97/912622497.db2.gz RIINZVWCCRGKDW-CQSZACIVSA-N 2 1 294.399 -0.012 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001445395971 912656828 /nfs/dbraw/zinc/65/68/28/912656828.db2.gz QPBXLGSJAXRZNX-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001445425627 912661891 /nfs/dbraw/zinc/66/18/91/912661891.db2.gz YMSVDKKVXOPRHC-UTUOFQBUSA-N 2 1 282.388 -0.547 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001446075398 912812323 /nfs/dbraw/zinc/81/23/23/912812323.db2.gz OZAIJEXFWXIOKC-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001446075398 912812341 /nfs/dbraw/zinc/81/23/41/912812341.db2.gz OZAIJEXFWXIOKC-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP C[NH+]1CCC([NH2+]CCOCCOCCOCCO)CC1 ZINC000150097389 884559335 /nfs/dbraw/zinc/55/93/35/884559335.db2.gz UOGRDVPCVQMUHE-UHFFFAOYSA-N 2 1 290.404 -0.288 20 0 CBADMP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)CC1 ZINC001090604413 884646071 /nfs/dbraw/zinc/64/60/71/884646071.db2.gz BVRTXXOJYUYEFP-ZIAGYGMSSA-N 2 1 299.415 -0.738 20 0 CBADMP CN(C)C(=O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001446264410 912850450 /nfs/dbraw/zinc/85/04/50/912850450.db2.gz FDAHEFPVOIFRNN-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176565783 884704206 /nfs/dbraw/zinc/70/42/06/884704206.db2.gz XHVZGVHOVWNKML-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001188158866 884720024 /nfs/dbraw/zinc/72/00/24/884720024.db2.gz XNQYRHKVJBTUNO-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001188158395 884721626 /nfs/dbraw/zinc/72/16/26/884721626.db2.gz NEFNVQMDTKDJEP-CYBMUJFWSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001210811950 884765206 /nfs/dbraw/zinc/76/52/06/884765206.db2.gz RYRRIJYNYISDIP-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418202 884775513 /nfs/dbraw/zinc/77/55/13/884775513.db2.gz DFKRKWIHTODIHU-CHWSQXEVSA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212418202 884775521 /nfs/dbraw/zinc/77/55/21/884775521.db2.gz DFKRKWIHTODIHU-CHWSQXEVSA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212418202 884775535 /nfs/dbraw/zinc/77/55/35/884775535.db2.gz DFKRKWIHTODIHU-CHWSQXEVSA-N 2 1 285.388 -0.722 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416551 884775789 /nfs/dbraw/zinc/77/57/89/884775789.db2.gz PKMAHYLJMJLIAO-IACUBPJLSA-N 2 1 299.415 -0.333 20 0 CBADMP CO[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212416551 884775803 /nfs/dbraw/zinc/77/58/03/884775803.db2.gz PKMAHYLJMJLIAO-IACUBPJLSA-N 2 1 299.415 -0.333 20 0 CBADMP CO[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212416551 884775814 /nfs/dbraw/zinc/77/58/14/884775814.db2.gz PKMAHYLJMJLIAO-IACUBPJLSA-N 2 1 299.415 -0.333 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CCCF ZINC001325990442 884866407 /nfs/dbraw/zinc/86/64/07/884866407.db2.gz RPLTUHNHXXSQIX-LBPRGKRZSA-N 2 1 275.368 -0.149 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001446420913 912883063 /nfs/dbraw/zinc/88/30/63/912883063.db2.gz PVVZWGVEIPNCES-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)c1cnn(C)c1 ZINC001326287119 884974340 /nfs/dbraw/zinc/97/43/40/884974340.db2.gz IFQRZDJEXVZBJH-DLOVCJGASA-N 2 1 265.361 -0.063 20 0 CBADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC001326346279 884998635 /nfs/dbraw/zinc/99/86/35/884998635.db2.gz CRDAYQRPTIOWDX-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001326800757 885153327 /nfs/dbraw/zinc/15/33/27/885153327.db2.gz OYKOIDPBTZSRGV-RISCZKNCSA-N 2 1 269.389 -0.053 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001326800756 885154117 /nfs/dbraw/zinc/15/41/17/885154117.db2.gz OYKOIDPBTZSRGV-FZMZJTMJSA-N 2 1 269.389 -0.053 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001446553073 912904515 /nfs/dbraw/zinc/90/45/15/912904515.db2.gz NGICJARLRRVRDT-SMDDNHRTSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001446553073 912904519 /nfs/dbraw/zinc/90/45/19/912904519.db2.gz NGICJARLRRVRDT-SMDDNHRTSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001446553073 912904522 /nfs/dbraw/zinc/90/45/22/912904522.db2.gz NGICJARLRRVRDT-SMDDNHRTSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001446553073 912904527 /nfs/dbraw/zinc/90/45/27/912904527.db2.gz NGICJARLRRVRDT-SMDDNHRTSA-N 2 1 284.404 -0.219 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001326867569 885175606 /nfs/dbraw/zinc/17/56/06/885175606.db2.gz RDXVPPGTLOVFMH-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001326967877 885205946 /nfs/dbraw/zinc/20/59/46/885205946.db2.gz SSQQQDCWQFFVEL-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001326967877 885205961 /nfs/dbraw/zinc/20/59/61/885205961.db2.gz SSQQQDCWQFFVEL-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001326988875 885214934 /nfs/dbraw/zinc/21/49/34/885214934.db2.gz DSRONJZLCIGGJS-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP O=C(C[N@H+]1CCC[C@H]2COCC[C@H]21)N1CC[NH2+]CC1 ZINC001327086713 885254624 /nfs/dbraw/zinc/25/46/24/885254624.db2.gz GKVWFIFBNKMNAP-QWHCGFSZSA-N 2 1 267.373 -0.081 20 0 CBADMP C[NH2+]C1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC001327087057 885254868 /nfs/dbraw/zinc/25/48/68/885254868.db2.gz LCTNKJLELCTHJJ-GFCCVEGCSA-N 2 1 268.405 -0.167 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001327500985 885377012 /nfs/dbraw/zinc/37/70/12/885377012.db2.gz XIQGEKQMSXPYFJ-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP COCCOCC[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC001327561601 885407667 /nfs/dbraw/zinc/40/76/67/885407667.db2.gz GVSDSXSPYQIVPV-AWEZNQCLSA-N 2 1 287.404 -0.745 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC001327562128 885408453 /nfs/dbraw/zinc/40/84/53/885408453.db2.gz JHPNPMLWFKMISD-LOWVWBTDSA-N 2 1 255.362 -0.443 20 0 CBADMP Cc1[nH+]ccn1CC[NH2+]C1(C(N)=O)CCOCC1 ZINC001327582312 885413298 /nfs/dbraw/zinc/41/32/98/885413298.db2.gz LDDSZGXMHBEQFZ-UHFFFAOYSA-N 2 1 252.318 -0.184 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC001327829918 885489924 /nfs/dbraw/zinc/48/99/24/885489924.db2.gz OUUVQCNOHDALLQ-VWYCJHECSA-N 2 1 268.361 -0.937 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](C[C@H](C)O)C1 ZINC001446788187 912953157 /nfs/dbraw/zinc/95/31/57/912953157.db2.gz BCERVYVKUKUPNS-JSGCOSHPSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001446788187 912953167 /nfs/dbraw/zinc/95/31/67/912953167.db2.gz BCERVYVKUKUPNS-JSGCOSHPSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001446788187 912953177 /nfs/dbraw/zinc/95/31/77/912953177.db2.gz BCERVYVKUKUPNS-JSGCOSHPSA-N 2 1 287.404 -0.738 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[N@H+]1C ZINC001328454282 885693197 /nfs/dbraw/zinc/69/31/97/885693197.db2.gz DXAWABSEIGFXCO-DDHJBXDOSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@H]([NH2+]CCO)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001446940117 912982432 /nfs/dbraw/zinc/98/24/32/912982432.db2.gz GOOLHLCHJJAGOW-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001447009878 912995484 /nfs/dbraw/zinc/99/54/84/912995484.db2.gz MIXQZTRZDYRLPJ-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001447009878 912995494 /nfs/dbraw/zinc/99/54/94/912995494.db2.gz MIXQZTRZDYRLPJ-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001447009878 912995508 /nfs/dbraw/zinc/99/55/08/912995508.db2.gz MIXQZTRZDYRLPJ-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001447009878 912995521 /nfs/dbraw/zinc/99/55/21/912995521.db2.gz MIXQZTRZDYRLPJ-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC001329434913 886066240 /nfs/dbraw/zinc/06/62/40/886066240.db2.gz ZSLFRMGGXNAVOM-MNOVXSKESA-N 2 1 295.387 -0.251 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001329446831 886074232 /nfs/dbraw/zinc/07/42/32/886074232.db2.gz KJPHQVAQAJYHLF-QWRGUYRKSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001329498718 886098080 /nfs/dbraw/zinc/09/80/80/886098080.db2.gz HYQOTOMRIHKKEM-AGIUHOORSA-N 3 1 268.405 -0.277 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CC(N)=O ZINC001329612864 886143401 /nfs/dbraw/zinc/14/34/01/886143401.db2.gz ILXKQQWSFRYTQP-SNVBAGLBSA-N 2 1 256.350 -0.996 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CCCO ZINC001329613570 886142560 /nfs/dbraw/zinc/14/25/60/886142560.db2.gz PCDDNHKDGSWCMB-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CCCO ZINC001329613570 886142567 /nfs/dbraw/zinc/14/25/67/886142567.db2.gz PCDDNHKDGSWCMB-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CCCO ZINC001329613570 886142575 /nfs/dbraw/zinc/14/25/75/886142575.db2.gz PCDDNHKDGSWCMB-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(N(C)C(C)=O)CC1 ZINC001329674750 886170971 /nfs/dbraw/zinc/17/09/71/886170971.db2.gz JFZQTFZSBGISDM-ZDUSSCGKSA-N 2 1 257.378 -0.101 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCCNC(=O)C2)C1 ZINC001329801207 886213380 /nfs/dbraw/zinc/21/33/80/886213380.db2.gz SPEFMSBUEGHZJV-LLVKDONJSA-N 2 1 268.361 -0.994 20 0 CBADMP C[NH+](C/C=C/C[N@H+](C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC001329862245 886243550 /nfs/dbraw/zinc/24/35/50/886243550.db2.gz HUQGDDLZKDEXNE-BLDJZWNYSA-N 2 1 280.372 -0.817 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC001329937280 886288394 /nfs/dbraw/zinc/28/83/94/886288394.db2.gz LSFKNKCGARZVIL-WDEREUQCSA-N 2 1 252.318 -0.328 20 0 CBADMP [NH3+]Cc1nc(C(=O)NC[C@@H]2COCC[NH2+]2)cs1 ZINC001330626126 886510767 /nfs/dbraw/zinc/51/07/67/886510767.db2.gz XSXKUNUXOPFODB-SSDOTTSWSA-N 2 1 256.331 -0.680 20 0 CBADMP [NH3+]Cc1nc(C(=O)NC[C@H]2COCC[NH2+]2)cs1 ZINC001330626131 886511987 /nfs/dbraw/zinc/51/19/87/886511987.db2.gz XSXKUNUXOPFODB-ZETCQYMHSA-N 2 1 256.331 -0.680 20 0 CBADMP CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001330865875 886603442 /nfs/dbraw/zinc/60/34/42/886603442.db2.gz HXAKCIZQJQVAQF-LLVKDONJSA-N 2 1 295.387 -0.188 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001330869776 886606452 /nfs/dbraw/zinc/60/64/52/886606452.db2.gz HEIGPNJNRGPUJM-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001330870596 886606828 /nfs/dbraw/zinc/60/68/28/886606828.db2.gz MLXYZVKGIPDGEO-YNEHKIRRSA-N 2 1 296.415 -0.217 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001447377581 913067653 /nfs/dbraw/zinc/06/76/53/913067653.db2.gz OSRMUYUMCMMCGE-CYBMUJFWSA-N 2 1 298.431 -0.193 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001447377581 913067663 /nfs/dbraw/zinc/06/76/63/913067663.db2.gz OSRMUYUMCMMCGE-CYBMUJFWSA-N 2 1 298.431 -0.193 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001447377581 913067676 /nfs/dbraw/zinc/06/76/76/913067676.db2.gz OSRMUYUMCMMCGE-CYBMUJFWSA-N 2 1 298.431 -0.193 20 0 CBADMP C[NH+](CCO)CCOCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001331101983 886675861 /nfs/dbraw/zinc/67/58/61/886675861.db2.gz COXZCRLJVOFZRU-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331131206 886686062 /nfs/dbraw/zinc/68/60/62/886686062.db2.gz LQNJYZRSIVKEQY-JHJVBQTASA-N 2 1 296.415 -0.312 20 0 CBADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC001331261706 886754631 /nfs/dbraw/zinc/75/46/31/886754631.db2.gz KEEXZYJKBVCNCH-MNOVXSKESA-N 2 1 252.318 -0.498 20 0 CBADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC001331261706 886754641 /nfs/dbraw/zinc/75/46/41/886754641.db2.gz KEEXZYJKBVCNCH-MNOVXSKESA-N 2 1 252.318 -0.498 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC001331490663 886821375 /nfs/dbraw/zinc/82/13/75/886821375.db2.gz ZQSAWGRIPSBWGT-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC001331511935 886827938 /nfs/dbraw/zinc/82/79/38/886827938.db2.gz AAUCXMTVZVKSPW-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCF)C2)C1 ZINC001447473814 913084957 /nfs/dbraw/zinc/08/49/57/913084957.db2.gz MNCCWQDLJKOACO-JSGCOSHPSA-N 2 1 287.379 -0.149 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001331572517 886850300 /nfs/dbraw/zinc/85/03/00/886850300.db2.gz BQEYHDCELJZMJQ-NOOOWODRSA-N 2 1 282.388 -0.467 20 0 CBADMP CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC001331573959 886850730 /nfs/dbraw/zinc/85/07/30/886850730.db2.gz HNLWIKRTEHWFHB-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CCCC1 ZINC001331620142 886869869 /nfs/dbraw/zinc/86/98/69/886869869.db2.gz SNPHEXLNGJUOJT-HAQNSBGRSA-N 2 1 296.415 -0.170 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H]2CNC(=O)C2)C1 ZINC001331791248 886986361 /nfs/dbraw/zinc/98/63/61/886986361.db2.gz MIUCLANEVZUIJN-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001331835281 887006600 /nfs/dbraw/zinc/00/66/00/887006600.db2.gz LFDNHMQTPONTGX-VXGBXAGGSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@H](O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001447736254 913112948 /nfs/dbraw/zinc/11/29/48/913112948.db2.gz BFLRTSGOILNIGF-QWHCGFSZSA-N 2 1 299.415 -0.738 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])CC[N@H+]1C ZINC001332235880 887164054 /nfs/dbraw/zinc/16/40/54/887164054.db2.gz RGZHMXNOXAUCAG-GHMZBOCLSA-N 2 1 284.404 -0.171 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001332236649 887167617 /nfs/dbraw/zinc/16/76/17/887167617.db2.gz GQFLPTSACOZRIU-GARJFASQSA-N 2 1 255.387 -0.241 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1C ZINC001332330710 887205358 /nfs/dbraw/zinc/20/53/58/887205358.db2.gz FYUBTJMUKMWZHG-JHJVBQTASA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC001332330710 887205373 /nfs/dbraw/zinc/20/53/73/887205373.db2.gz FYUBTJMUKMWZHG-JHJVBQTASA-N 2 1 296.415 -0.362 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCOC12CCOCC2 ZINC001332391878 887253261 /nfs/dbraw/zinc/25/32/61/887253261.db2.gz WCFLGLZTUYQXCK-VXGBXAGGSA-N 2 1 258.362 -0.163 20 0 CBADMP C[NH2+][C@H](C(=O)NCC1=CC[NH2+]CC1)c1cnn(C)c1 ZINC001332431266 887277836 /nfs/dbraw/zinc/27/78/36/887277836.db2.gz CFOOZGXFWHMKQC-LBPRGKRZSA-N 2 1 263.345 -0.284 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332520984 887335555 /nfs/dbraw/zinc/33/55/55/887335555.db2.gz NRVDMRPZWHYRCV-IJLUTSLNSA-N 2 1 269.393 -0.731 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC001332961748 887490154 /nfs/dbraw/zinc/49/01/54/887490154.db2.gz MNEZYSVSYZUVGD-XQQFMLRXSA-N 2 1 268.405 -0.134 20 0 CBADMP CCOC(=O)[C@@H]1C[NH2+]CCN1CCc1c[nH+]cn1C ZINC001333160460 887545696 /nfs/dbraw/zinc/54/56/96/887545696.db2.gz FEJSOHXCOJMLIH-LBPRGKRZSA-N 2 1 266.345 -0.201 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001333215235 887561741 /nfs/dbraw/zinc/56/17/41/887561741.db2.gz LJXJTNCRBSDKSL-LLVKDONJSA-N 2 1 256.394 -0.182 20 0 CBADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001333626107 887723694 /nfs/dbraw/zinc/72/36/94/887723694.db2.gz OOJDJPNCNVXXLE-NSHDSACASA-N 2 1 295.387 -0.106 20 0 CBADMP CC[N@H+]1CCC[C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC001333636401 887730155 /nfs/dbraw/zinc/73/01/55/887730155.db2.gz QXVUAYVJUSGPDM-MNOVXSKESA-N 2 1 268.361 -0.062 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001447988452 913179542 /nfs/dbraw/zinc/17/95/42/913179542.db2.gz APIJSLJHZMBNTE-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001447988452 913179554 /nfs/dbraw/zinc/17/95/54/913179554.db2.gz APIJSLJHZMBNTE-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001447988452 913179563 /nfs/dbraw/zinc/17/95/63/913179563.db2.gz APIJSLJHZMBNTE-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001447988452 913179570 /nfs/dbraw/zinc/17/95/70/913179570.db2.gz APIJSLJHZMBNTE-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@@H+](CCCCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1CC1 ZINC001333913263 887805881 /nfs/dbraw/zinc/80/58/81/887805881.db2.gz PKPYZIOWHAYLBS-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001334006625 887838944 /nfs/dbraw/zinc/83/89/44/887838944.db2.gz VTHOQRBJVNJSRY-HAQNSBGRSA-N 2 1 296.415 -0.217 20 0 CBADMP NS(=O)(=O)C[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC001334337780 887925134 /nfs/dbraw/zinc/92/51/34/887925134.db2.gz KQJGHNUULPXFIX-QWRGUYRKSA-N 2 1 261.391 -0.404 20 0 CBADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001334736867 888303204 /nfs/dbraw/zinc/30/32/04/888303204.db2.gz CEEKEMIXVQZEEU-ARFHVFGLSA-N 2 1 294.443 -0.266 20 0 CBADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CCC1 ZINC001334768458 888316086 /nfs/dbraw/zinc/31/60/86/888316086.db2.gz GCSVGEPOSBCOPD-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CCC1 ZINC001334768458 888316099 /nfs/dbraw/zinc/31/60/99/888316099.db2.gz GCSVGEPOSBCOPD-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC(=O)NC1CC1 ZINC001448147986 913240663 /nfs/dbraw/zinc/24/06/63/913240663.db2.gz MWSYAFMVPLKMRE-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CC(=O)NC1CC1 ZINC001448147986 913240676 /nfs/dbraw/zinc/24/06/76/913240676.db2.gz MWSYAFMVPLKMRE-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP c1ncn([C@@H]2CC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC001335190601 888437378 /nfs/dbraw/zinc/43/73/78/888437378.db2.gz TUPDHLNFQQMFDY-VXGBXAGGSA-N 2 1 263.345 -0.097 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCNCC[NH2+]CC1 ZINC001335350283 888511471 /nfs/dbraw/zinc/51/14/71/888511471.db2.gz GDFSJTPRRULREB-ZIAGYGMSSA-N 2 1 295.431 -0.182 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001335361709 888515021 /nfs/dbraw/zinc/51/50/21/888515021.db2.gz RMOQLAZVPWROED-YNEHKIRRSA-N 2 1 282.388 -0.099 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCNCC[NH2+]CC1 ZINC001335384255 888519887 /nfs/dbraw/zinc/51/98/87/888519887.db2.gz MMLXFKXRKWAILG-KBPBESRZSA-N 2 1 295.431 -0.182 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCNCC[NH2+]CC1 ZINC001335384258 888520503 /nfs/dbraw/zinc/52/05/03/888520503.db2.gz MMLXFKXRKWAILG-ZIAGYGMSSA-N 2 1 295.431 -0.182 20 0 CBADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCn1cnnn1 ZINC001335397252 888522173 /nfs/dbraw/zinc/52/21/73/888522173.db2.gz ODDCJLKRWMVQOH-AWEZNQCLSA-N 2 1 290.371 -0.244 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCn1cnnn1 ZINC001335397252 888522185 /nfs/dbraw/zinc/52/21/85/888522185.db2.gz ODDCJLKRWMVQOH-AWEZNQCLSA-N 2 1 290.371 -0.244 20 0 CBADMP COCCN1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001448200109 913252800 /nfs/dbraw/zinc/25/28/00/913252800.db2.gz FRKMZNZNZRSJAT-LBPRGKRZSA-N 2 1 285.388 -0.863 20 0 CBADMP CC(C)OCC[C@H](O)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC001335458599 888537579 /nfs/dbraw/zinc/53/75/79/888537579.db2.gz RHJGKLNKMBINFX-STQMWFEESA-N 2 1 260.378 -0.181 20 0 CBADMP CC(C)OCC[C@H](O)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC001335458599 888537593 /nfs/dbraw/zinc/53/75/93/888537593.db2.gz RHJGKLNKMBINFX-STQMWFEESA-N 2 1 260.378 -0.181 20 0 CBADMP C[NH2+]CCNC(=O)NCCCCC[NH+]1CCNCC1 ZINC001335539026 888559905 /nfs/dbraw/zinc/55/99/05/888559905.db2.gz ZVGMYOURWADGLK-UHFFFAOYSA-N 2 1 271.409 -0.420 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001335538351 888561165 /nfs/dbraw/zinc/56/11/65/888561165.db2.gz RSOVHKZPFVBVTD-CQSZACIVSA-N 2 1 297.447 -0.077 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001335556452 888564846 /nfs/dbraw/zinc/56/48/46/888564846.db2.gz WLKQKIQLIFKCKU-WYUUTHIRSA-N 2 1 252.362 -0.012 20 0 CBADMP O=C(NCCCCC[NH+]1CCNCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001335595015 888575417 /nfs/dbraw/zinc/57/54/17/888575417.db2.gz FLHVVIJERNYGSO-WDNDVIMCSA-N 2 1 295.431 -0.421 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCC(CO)CC1)[NH+](C)C ZINC001335688004 888601631 /nfs/dbraw/zinc/60/16/31/888601631.db2.gz BYKVHDMIUJFTQO-LLVKDONJSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C[NH+]2CCC(CO)CC2)CC[N@@H+]1C ZINC001336108880 888695506 /nfs/dbraw/zinc/69/55/06/888695506.db2.gz YRTGBHHQPJOQFC-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C[NH+]2CCC(CO)CC2)CC[N@H+]1C ZINC001336108880 888695511 /nfs/dbraw/zinc/69/55/11/888695511.db2.gz YRTGBHHQPJOQFC-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)CC[N@@H+]1C ZINC001336108878 888695602 /nfs/dbraw/zinc/69/56/02/888695602.db2.gz YRTGBHHQPJOQFC-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)CC[N@H+]1C ZINC001336108878 888695607 /nfs/dbraw/zinc/69/56/07/888695607.db2.gz YRTGBHHQPJOQFC-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP [NH3+]C/C=C\CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001336131789 888699878 /nfs/dbraw/zinc/69/98/78/888699878.db2.gz BNOSVUARUZBZDG-FEAJGASRSA-N 2 1 282.388 -0.258 20 0 CBADMP [NH3+]C/C=C/CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001336131786 888700052 /nfs/dbraw/zinc/70/00/52/888700052.db2.gz BNOSVUARUZBZDG-DKZVVXNFSA-N 2 1 282.388 -0.258 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCNCC[NH2+]CC1 ZINC001336150605 888706291 /nfs/dbraw/zinc/70/62/91/888706291.db2.gz LCGHTNFABYAWFF-GFCCVEGCSA-N 2 1 269.393 -0.715 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001448314334 913272526 /nfs/dbraw/zinc/27/25/26/913272526.db2.gz AADYFFWRAODLRP-NXEZZACHSA-N 2 1 270.377 -0.752 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001336252529 888729341 /nfs/dbraw/zinc/72/93/41/888729341.db2.gz PBEJCDVIZUBVRC-XZUYRWCXSA-N 2 1 268.361 -0.755 20 0 CBADMP C[N@@H+]1CC=C(C[NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001336769951 888874796 /nfs/dbraw/zinc/87/47/96/888874796.db2.gz FMGJFCDQYLLKEJ-CYBMUJFWSA-N 2 1 270.373 -0.260 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC001337359401 888996861 /nfs/dbraw/zinc/99/68/61/888996861.db2.gz VJWBEZWKJGIDTD-BJDJZHNGSA-N 2 1 282.388 -0.561 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001337485207 889019792 /nfs/dbraw/zinc/01/97/92/889019792.db2.gz KLHGPQHITOYJQG-TUAOUCFPSA-N 2 1 282.388 -0.560 20 0 CBADMP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCNCC[NH2+]CC1 ZINC001337838997 889085568 /nfs/dbraw/zinc/08/55/68/889085568.db2.gz YYWASHLFQFFPKY-CYBMUJFWSA-N 2 1 293.419 -0.803 20 0 CBADMP C[NH+]1CCC([NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001337856318 889089226 /nfs/dbraw/zinc/08/92/26/889089226.db2.gz UWGVYIXVWJSVLG-OLZOCXBDSA-N 2 1 258.362 -0.427 20 0 CBADMP [NH3+]C1(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001338518334 889170169 /nfs/dbraw/zinc/17/01/69/889170169.db2.gz ALBWGHXTLKSANK-GHMZBOCLSA-N 2 1 268.361 -0.360 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC001338643785 889185736 /nfs/dbraw/zinc/18/57/36/889185736.db2.gz IAOVFAWACKVRIK-SFYZADRCSA-N 2 1 250.293 -0.265 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)NCCCCC[NH+]1CCNCC1 ZINC001338647869 889186557 /nfs/dbraw/zinc/18/65/57/889186557.db2.gz YUMORZNTTRARSK-GFCCVEGCSA-N 2 1 271.409 -0.292 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001338759381 889198847 /nfs/dbraw/zinc/19/88/47/889198847.db2.gz PLSGEGIXOBGTCW-NNYUYHANSA-N 2 1 268.361 -0.755 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001339722873 889313149 /nfs/dbraw/zinc/31/31/49/889313149.db2.gz GBGYGRANQHWHMB-RWMBFGLXSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C[C@H](C)[NH2+]1 ZINC001339716150 889313460 /nfs/dbraw/zinc/31/34/60/889313460.db2.gz SRYZYEYMIAADRS-XQHKEYJVSA-N 2 1 266.389 -0.417 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C[C@@H](C)[NH2+]1 ZINC001339716148 889314132 /nfs/dbraw/zinc/31/41/32/889314132.db2.gz SRYZYEYMIAADRS-NDBYEHHHSA-N 2 1 266.389 -0.417 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001339769243 889319803 /nfs/dbraw/zinc/31/98/03/889319803.db2.gz VXBSMPQABVCLAN-ZDUSSCGKSA-N 2 1 297.399 -0.407 20 0 CBADMP CC[NH+]1CCC(NC(=O)CN2CC[NH2+]CC[NH2+]CC2)CC1 ZINC001339933952 889347227 /nfs/dbraw/zinc/34/72/27/889347227.db2.gz RJPHYYISUZMXRG-UHFFFAOYSA-N 3 1 297.447 -0.918 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001340062166 889377739 /nfs/dbraw/zinc/37/77/39/889377739.db2.gz MPNOYYKUANKPLZ-SRVKXCTJSA-N 2 1 257.378 -0.339 20 0 CBADMP Cc1[nH+]ccn1CCCCNC(=O)CNCC[NH3+] ZINC001340094442 889382272 /nfs/dbraw/zinc/38/22/72/889382272.db2.gz SFDZFCQSJRPLQA-UHFFFAOYSA-N 2 1 253.350 -0.364 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH2+]CCN2C)CC[N@H+]1C ZINC001340105577 889386628 /nfs/dbraw/zinc/38/66/28/889386628.db2.gz NZVUGJLFUPEJLJ-AGIUHOORSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)[C@@H](C)C[NH2+]1 ZINC001340127399 889388018 /nfs/dbraw/zinc/38/80/18/889388018.db2.gz AWMVFGCSCQZUAY-XQHKEYJVSA-N 2 1 266.389 -0.417 20 0 CBADMP C[N@H+]1CCCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001340133357 889392936 /nfs/dbraw/zinc/39/29/36/889392936.db2.gz KGPQJGXAVSKBOE-ZDUSSCGKSA-N 2 1 255.362 -0.345 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CNCC[NH3+] ZINC001340191264 889404924 /nfs/dbraw/zinc/40/49/24/889404924.db2.gz SCLIEFYSVYGQNQ-NWDGAFQWSA-N 2 1 256.394 -0.229 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001340140143 889395763 /nfs/dbraw/zinc/39/57/63/889395763.db2.gz PLLZVSODWAZXPO-YNEHKIRRSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CNCC[NH3+] ZINC001340191266 889404446 /nfs/dbraw/zinc/40/44/46/889404446.db2.gz SCLIEFYSVYGQNQ-RYUDHWBXSA-N 2 1 256.394 -0.229 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC001340183973 889405551 /nfs/dbraw/zinc/40/55/51/889405551.db2.gz PQRRMNFFNHYHQI-WOPDTQHZSA-N 2 1 266.389 -0.369 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001340281894 889417170 /nfs/dbraw/zinc/41/71/70/889417170.db2.gz MXKSQVGRLPRFQK-FDYHWXHSSA-N 2 1 266.389 -0.239 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC001340467727 889436139 /nfs/dbraw/zinc/43/61/39/889436139.db2.gz BKRJVZCJICLRAT-IJLUTSLNSA-N 2 1 268.405 -0.136 20 0 CBADMP O=C(NCC[C@H]1CSCC[NH2+]1)[C@H]1CSC[NH2+]1 ZINC001340525004 889442926 /nfs/dbraw/zinc/44/29/26/889442926.db2.gz BTKXHHOWWQPDCA-DTWKUNHWSA-N 2 1 261.416 -0.140 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001340532189 889442943 /nfs/dbraw/zinc/44/29/43/889442943.db2.gz YDCCGXDHYGSTSO-ZDUSSCGKSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001340615876 889453705 /nfs/dbraw/zinc/45/37/05/889453705.db2.gz PGXXRXNOHQSJJL-QWRGUYRKSA-N 2 1 253.346 -0.282 20 0 CBADMP C[NH2+]CCOCCNC(=O)C[NH+]1CCC(CO)CC1 ZINC001340702632 889470340 /nfs/dbraw/zinc/47/03/40/889470340.db2.gz NCTBXZROWKJDPZ-UHFFFAOYSA-N 2 1 273.377 -0.957 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001340847266 889498401 /nfs/dbraw/zinc/49/84/01/889498401.db2.gz YPOQQWACOSRNSH-GVXVVHGQSA-N 2 1 257.378 -0.054 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001340774803 889484645 /nfs/dbraw/zinc/48/46/45/889484645.db2.gz VHEFSUZLLURPLR-JSGCOSHPSA-N 2 1 267.373 -0.176 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340790476 889487394 /nfs/dbraw/zinc/48/73/94/889487394.db2.gz LBJJVKYRKIAVIG-OCCSQVGLSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@]1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](O)C[NH2+]1 ZINC001340807114 889489450 /nfs/dbraw/zinc/48/94/50/889489450.db2.gz HHQVVQIDADSSSB-VHRBIJSZSA-N 2 1 267.373 -0.300 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001341040061 889536149 /nfs/dbraw/zinc/53/61/49/889536149.db2.gz GEJWRFJOKBMJOR-LBPRGKRZSA-N 2 1 254.378 -0.557 20 0 CBADMP [NH3+]CC1(C(=O)NCCCCC[NH+]2CCNCC2)CC(O)C1 ZINC001341188026 889553126 /nfs/dbraw/zinc/55/31/26/889553126.db2.gz OUSLPVPGHIYAKQ-UHFFFAOYSA-N 2 1 298.431 -0.722 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H]1CCCC[NH2+]1 ZINC001341243731 889565813 /nfs/dbraw/zinc/56/58/13/889565813.db2.gz KABLGVWUSBJMSU-UPJWGTAASA-N 2 1 266.389 -0.367 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001341243640 889566723 /nfs/dbraw/zinc/56/67/23/889566723.db2.gz IOEYXPSZSNFECI-UPJWGTAASA-N 2 1 266.389 -0.415 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001341291266 889572665 /nfs/dbraw/zinc/57/26/65/889572665.db2.gz LTYUTQQHUXVCIB-RYUDHWBXSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[C@H](C[NH3+])C1 ZINC001341354075 889580085 /nfs/dbraw/zinc/58/00/85/889580085.db2.gz PJSTZHWDQAPJPG-UPJWGTAASA-N 2 1 266.389 -0.428 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)Nc1cc2n(n1)CC[NH2+]C2 ZINC001341387883 889585701 /nfs/dbraw/zinc/58/57/01/889585701.db2.gz GKMFKDPLLDLUIQ-JTQLQIEISA-N 2 1 265.317 -0.697 20 0 CBADMP CN1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC[N@@H+](C)CC1 ZINC001341394742 889589245 /nfs/dbraw/zinc/58/92/45/889589245.db2.gz DKPJDFFXSAIJNW-CYBMUJFWSA-N 2 1 266.389 -0.260 20 0 CBADMP CC[NH2+][C@H](C)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001341395420 889589727 /nfs/dbraw/zinc/58/97/27/889589727.db2.gz PYWQVKMEUCRPTQ-GFCCVEGCSA-N 2 1 256.394 -0.310 20 0 CBADMP CC[NH2+][C@H](C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001341395420 889589732 /nfs/dbraw/zinc/58/97/32/889589732.db2.gz PYWQVKMEUCRPTQ-GFCCVEGCSA-N 2 1 256.394 -0.310 20 0 CBADMP CN1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC[N@H+](C)CC1 ZINC001341511926 889611645 /nfs/dbraw/zinc/61/16/45/889611645.db2.gz MOPKIMQFNAMGDI-CHWSQXEVSA-N 2 1 286.395 -0.360 20 0 CBADMP CN1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC[N@@H+](C)CC1 ZINC001341511926 889611652 /nfs/dbraw/zinc/61/16/52/889611652.db2.gz MOPKIMQFNAMGDI-CHWSQXEVSA-N 2 1 286.395 -0.360 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341571893 889623804 /nfs/dbraw/zinc/62/38/04/889623804.db2.gz WGHRWIHWCFCBCO-HIFRSBDPSA-N 2 1 299.415 -0.303 20 0 CBADMP [NH3+]CCN1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC001341587025 889629457 /nfs/dbraw/zinc/62/94/57/889629457.db2.gz SQDAZVSFWLDPCW-AAEUAGOBSA-N 2 1 294.399 -0.463 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1CO ZINC001341583016 889629530 /nfs/dbraw/zinc/62/95/30/889629530.db2.gz WCNTYSORZRBJNG-VXGBXAGGSA-N 2 1 255.362 -0.348 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1CO ZINC001341583009 889629851 /nfs/dbraw/zinc/62/98/51/889629851.db2.gz WCNTYSORZRBJNG-NEPJUHHUSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001341626225 889634294 /nfs/dbraw/zinc/63/42/94/889634294.db2.gz DQTHPEKKQNQTBJ-XZUYRWCXSA-N 2 1 269.389 -0.056 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](O)C[NH3+])[C@H](C)C1 ZINC001341619468 889635064 /nfs/dbraw/zinc/63/50/64/889635064.db2.gz MREFXNVMSOKXHM-UTUOFQBUSA-N 2 1 257.378 -0.115 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001341626227 889635265 /nfs/dbraw/zinc/63/52/65/889635265.db2.gz DQTHPEKKQNQTBJ-ZPFDUUQYSA-N 2 1 269.389 -0.056 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C[C@H](O)C[NH3+] ZINC001341659735 889642285 /nfs/dbraw/zinc/64/22/85/889642285.db2.gz RQFWICPVUIKKLE-ONGXEEELSA-N 2 1 254.334 -0.346 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC[NH2+]1 ZINC001341660033 889642985 /nfs/dbraw/zinc/64/29/85/889642985.db2.gz QHHKSEXBKXLOEP-FDYHWXHSSA-N 2 1 266.389 -0.369 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001341663208 889643054 /nfs/dbraw/zinc/64/30/54/889643054.db2.gz QDJJHQUUQPVYQI-MDZLAQPJSA-N 2 1 269.389 -0.197 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001341663210 889643220 /nfs/dbraw/zinc/64/32/20/889643220.db2.gz QDJJHQUUQPVYQI-WZRBSPASSA-N 2 1 269.389 -0.197 20 0 CBADMP O=C(C1=CCC[NH2+]CC1)N1CC[NH+](CCO)CC1 ZINC001341673563 889645428 /nfs/dbraw/zinc/64/54/28/889645428.db2.gz GTWVOSLAZDSWIF-UHFFFAOYSA-N 2 1 253.346 -0.567 20 0 CBADMP C[N@@H+](CCNC(=O)C[C@@]1(O)CCC[NH2+]C1)C1CC1 ZINC001341672681 889646543 /nfs/dbraw/zinc/64/65/43/889646543.db2.gz LPILSEKWYVLFRP-ZDUSSCGKSA-N 2 1 255.362 -0.299 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C2(C[NH3+])CC(O)C2)CC[N@H+]1C ZINC001341701018 889651569 /nfs/dbraw/zinc/65/15/69/889651569.db2.gz MMKRRDAFOGHCOB-KIENENRBSA-N 2 1 255.362 -0.315 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C2(C[NH3+])CC(O)C2)CC[N@H+]1C ZINC001341701020 889651914 /nfs/dbraw/zinc/65/19/14/889651914.db2.gz MMKRRDAFOGHCOB-QKIYJJFGSA-N 2 1 255.362 -0.315 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C2(C[NH3+])CC(O)C2)CC[N@H+]1C ZINC001341701017 889652624 /nfs/dbraw/zinc/65/26/24/889652624.db2.gz MMKRRDAFOGHCOB-IXYVEGFRSA-N 2 1 255.362 -0.315 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001341848611 889674499 /nfs/dbraw/zinc/67/44/99/889674499.db2.gz RHKTTWAGLLWLSQ-NWDGAFQWSA-N 2 1 255.362 -0.036 20 0 CBADMP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001341924219 889683873 /nfs/dbraw/zinc/68/38/73/889683873.db2.gz RQEPUYAMZYUMHA-CYDGBPFRSA-N 2 1 267.373 -0.361 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001341940484 889687108 /nfs/dbraw/zinc/68/71/08/889687108.db2.gz KDLKGHGLGJHMFG-QJPTWQEYSA-N 2 1 256.394 -0.280 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@@H](CO)C1 ZINC001342034246 889701269 /nfs/dbraw/zinc/70/12/69/889701269.db2.gz HPESECKRTIPPCN-NTZNESFSSA-N 2 1 253.346 -0.879 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@@H](CO)C1 ZINC001342034246 889701280 /nfs/dbraw/zinc/70/12/80/889701280.db2.gz HPESECKRTIPPCN-NTZNESFSSA-N 2 1 253.346 -0.879 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH2+]CC23CC3)C1 ZINC001342099503 889710954 /nfs/dbraw/zinc/71/09/54/889710954.db2.gz MVFKDRPHNPXVRB-GHMZBOCLSA-N 2 1 253.346 -0.425 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH2+]CC23CC3)C1 ZINC001342099503 889710966 /nfs/dbraw/zinc/71/09/66/889710966.db2.gz MVFKDRPHNPXVRB-GHMZBOCLSA-N 2 1 253.346 -0.425 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CCC[NH+](C)C ZINC001448772268 913374085 /nfs/dbraw/zinc/37/40/85/913374085.db2.gz WWTIIMFQAPWLTG-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1([NH3+])CCCC1 ZINC001342128270 889716785 /nfs/dbraw/zinc/71/67/85/889716785.db2.gz ZQONAXFCUIWRNF-RYUDHWBXSA-N 2 1 266.389 -0.238 20 0 CBADMP 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 889720037 /nfs/dbraw/zinc/72/00/37/889720037.db2.gz KLPSHCPAYNFIQU-HXNLIRTISA-N 2 1 267.373 -0.444 20 0 CBADMP C[N@H+](CC(=O)NC[C@@H](O)C[NH3+])Cc1ccccc1 ZINC001342146098 889720699 /nfs/dbraw/zinc/72/06/99/889720699.db2.gz DYNOGPATGYHOBB-LBPRGKRZSA-N 2 1 251.330 -0.446 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH3+])Cc1ccccc1 ZINC001342146098 889720708 /nfs/dbraw/zinc/72/07/08/889720708.db2.gz DYNOGPATGYHOBB-LBPRGKRZSA-N 2 1 251.330 -0.446 20 0 CBADMP CN1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC[N@H+](C)CC1 ZINC001342157824 889724215 /nfs/dbraw/zinc/72/42/15/889724215.db2.gz YDUMCCPYXOVPFC-CYBMUJFWSA-N 2 1 268.405 -0.180 20 0 CBADMP CN1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC[N@@H+](C)CC1 ZINC001342157824 889724224 /nfs/dbraw/zinc/72/42/24/889724224.db2.gz YDUMCCPYXOVPFC-CYBMUJFWSA-N 2 1 268.405 -0.180 20 0 CBADMP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001342251515 889738634 /nfs/dbraw/zinc/73/86/34/889738634.db2.gz SGWRVCQNYKJODN-UPJWGTAASA-N 2 1 268.405 -0.136 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001342302180 889749000 /nfs/dbraw/zinc/74/90/00/889749000.db2.gz QEGZSDPWGNVRBX-NEPJUHHUSA-N 2 1 267.373 -0.035 20 0 CBADMP C[NH2+]CCCCC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342549563 889793641 /nfs/dbraw/zinc/79/36/41/889793641.db2.gz UOVDISXVVQFYRH-UHFFFAOYSA-N 3 1 256.394 -0.085 20 0 CBADMP C[C@@H]1CN(C(=O)c2cc3n(n2)C[C@H](C)[NH2+]C3)C[C@H]1[NH3+] ZINC001342648376 889811516 /nfs/dbraw/zinc/81/15/16/889811516.db2.gz FTTPVSLHUUXPKQ-WCABBAIRSA-N 2 1 263.345 -0.206 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001342696032 889818180 /nfs/dbraw/zinc/81/81/80/889818180.db2.gz LFZABOOUMGOPJR-YNEHKIRRSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)C[C@H]1C[NH3+] ZINC001342757209 889823887 /nfs/dbraw/zinc/82/38/87/889823887.db2.gz KJWWZLDWRNGWBQ-YVECIDJPSA-N 2 1 266.389 -0.572 20 0 CBADMP 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 889832681 /nfs/dbraw/zinc/83/26/81/889832681.db2.gz USNRWVSBTDQOGB-NWBUJAPZSA-N 2 1 269.389 -0.341 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1C[NH2+]CC1(C)C)c1cnn(C)c1 ZINC001342983831 889851135 /nfs/dbraw/zinc/85/11/35/889851135.db2.gz ZTVWXMOVLFGVQR-MNOVXSKESA-N 2 1 265.361 -0.205 20 0 CBADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001343025835 889859710 /nfs/dbraw/zinc/85/97/10/889859710.db2.gz NXWHQQNPDAKFHP-VHSXEESVSA-N 2 1 265.317 -0.711 20 0 CBADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@]1(F)CC[NH2+]C1 ZINC001343025850 889859835 /nfs/dbraw/zinc/85/98/35/889859835.db2.gz OIDMLZZNONASPX-NSHDSACASA-N 2 1 253.281 -0.374 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001343370332 889893583 /nfs/dbraw/zinc/89/35/83/889893583.db2.gz AYUNKJTWFOKXCO-VXGBXAGGSA-N 2 1 255.362 -0.238 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001343372556 889896927 /nfs/dbraw/zinc/89/69/27/889896927.db2.gz UFCVQYKYWVJWDV-HNNXBMFYSA-N 2 1 299.415 -0.328 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC001343410473 889901336 /nfs/dbraw/zinc/90/13/36/889901336.db2.gz ZSTPRKVHTZKEHX-SNVBAGLBSA-N 2 1 268.317 -0.412 20 0 CBADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)C1 ZINC001343407722 889902884 /nfs/dbraw/zinc/90/28/84/889902884.db2.gz KCECTJNMBDRMSG-WDEREUQCSA-N 2 1 257.378 -0.067 20 0 CBADMP C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1)[N@@H+](C)C1CC1 ZINC001343419213 889903914 /nfs/dbraw/zinc/90/39/14/889903914.db2.gz CJYBCJZWFHCOCE-CDMKHQONSA-N 2 1 255.362 -0.302 20 0 CBADMP C[C@H](NC(=O)CC1(C[NH3+])CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001343582124 889934183 /nfs/dbraw/zinc/93/41/83/889934183.db2.gz ISRQLIKHBSDCGQ-NWDGAFQWSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H](NC(=O)CC1(C[NH3+])CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001343582124 889934214 /nfs/dbraw/zinc/93/42/14/889934214.db2.gz ISRQLIKHBSDCGQ-NWDGAFQWSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H](NC(=O)CC1(C[NH3+])CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001343582124 889934228 /nfs/dbraw/zinc/93/42/28/889934228.db2.gz ISRQLIKHBSDCGQ-NWDGAFQWSA-N 2 1 268.405 -0.134 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001343591019 889938943 /nfs/dbraw/zinc/93/89/43/889938943.db2.gz AWBGNSAFTQHRFC-MROQNXINSA-N 2 1 268.405 -0.278 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3=NO[C@@H](C[NH3+])C3)[C@H]2C1 ZINC001343592897 889939168 /nfs/dbraw/zinc/93/91/68/889939168.db2.gz SLLCZEZBCXYUSF-VLEAKVRGSA-N 2 1 266.345 -0.454 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001343620510 889942303 /nfs/dbraw/zinc/94/23/03/889942303.db2.gz DHKBFHHFRIBOSR-ZDUSSCGKSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001344410031 890023924 /nfs/dbraw/zinc/02/39/24/890023924.db2.gz CLDKSXHJOTWNIS-OPRDCNLKSA-N 2 1 263.345 -0.064 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@H](O)C[NH2+]3)CC[C@H]21 ZINC001344460024 890030191 /nfs/dbraw/zinc/03/01/91/890030191.db2.gz BVKITMCTXIXWDR-CZXHOFHRSA-N 2 1 267.373 -0.348 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@H](O)C[NH2+]3)CC[C@@H]21 ZINC001344460029 890029938 /nfs/dbraw/zinc/02/99/38/890029938.db2.gz BVKITMCTXIXWDR-UHXUPSOCSA-N 2 1 267.373 -0.348 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@H+]1C ZINC001344876492 890077869 /nfs/dbraw/zinc/07/78/69/890077869.db2.gz GERFNURHPZMPRT-BLFANLJRSA-N 2 1 253.346 -0.569 20 0 CBADMP C[C@@H]1[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC[N@H+]1C ZINC001344876739 890078299 /nfs/dbraw/zinc/07/82/99/890078299.db2.gz JMYHKLDHDBHZRJ-PSASIEDQSA-N 2 1 263.345 -0.122 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC(C)(C)[NH+](C)C ZINC001345527878 890138335 /nfs/dbraw/zinc/13/83/35/890138335.db2.gz XRSSYLDUDANKFU-RYUDHWBXSA-N 2 1 268.405 -0.169 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC001345943596 890183422 /nfs/dbraw/zinc/18/34/22/890183422.db2.gz KPUJXDDDKPTJPX-CHWSQXEVSA-N 3 1 268.405 -0.146 20 0 CBADMP NC(=O)NC(=O)CC[NH2+][C@H]1CCc2c[nH+]cn2C1 ZINC001346137032 890223109 /nfs/dbraw/zinc/22/31/09/890223109.db2.gz SYBDKDRYFVLKEF-QMMMGPOBSA-N 2 1 251.290 -0.628 20 0 CBADMP C[N@H+]1CCCN(CCC[NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC001346202925 890238511 /nfs/dbraw/zinc/23/85/11/890238511.db2.gz CWVVFOSMXMUGCL-CQSZACIVSA-N 2 1 285.432 -0.121 20 0 CBADMP C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)[C@H]1CN(C)CCN1C ZINC001346228502 890242892 /nfs/dbraw/zinc/24/28/92/890242892.db2.gz KCGQSCPQNMIFFW-CYZMBNFOSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001346228502 890242914 /nfs/dbraw/zinc/24/29/14/890242914.db2.gz KCGQSCPQNMIFFW-CYZMBNFOSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001346228502 890242934 /nfs/dbraw/zinc/24/29/34/890242934.db2.gz KCGQSCPQNMIFFW-CYZMBNFOSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H](NC(=O)C12CC(C1)C[NH2+]2)[C@@H]1C[N@@H+](C)CCN1C ZINC001346229677 890247144 /nfs/dbraw/zinc/24/71/44/890247144.db2.gz WFXIZHMNSNQWAX-ATWGWHJKSA-N 2 1 266.389 -0.511 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@@]1(O)CCCOC1)C1CC1 ZINC001346298788 890260643 /nfs/dbraw/zinc/26/06/43/890260643.db2.gz HRXNNOYFQLJTCB-KGLIPLIRSA-N 2 1 272.389 -0.037 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@@]1(O)CCCOC1)C1CC1 ZINC001346298788 890260661 /nfs/dbraw/zinc/26/06/61/890260661.db2.gz HRXNNOYFQLJTCB-KGLIPLIRSA-N 2 1 272.389 -0.037 20 0 CBADMP Cn1ccnc1CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001347745132 890506713 /nfs/dbraw/zinc/50/67/13/890506713.db2.gz JUIQCQOJMJWASS-ZWNOBZJWSA-N 2 1 266.345 -0.466 20 0 CBADMP Cn1ccnc1CCNC(=O)[C@@]1(C)C[C@@H](O)CN1C ZINC001347745132 890506719 /nfs/dbraw/zinc/50/67/19/890506719.db2.gz JUIQCQOJMJWASS-ZWNOBZJWSA-N 2 1 266.345 -0.466 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)c1 ZINC001448950716 913471139 /nfs/dbraw/zinc/47/11/39/913471139.db2.gz KNOKRBDMDVFFBG-ZDUSSCGKSA-N 2 1 297.403 -0.673 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCC[NH+](C)C ZINC001348841902 890713171 /nfs/dbraw/zinc/71/31/71/890713171.db2.gz HXFMNJPKWLTMKN-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCCNC(=O)CCC[NH+](C)C ZINC001349033014 890749094 /nfs/dbraw/zinc/74/90/94/890749094.db2.gz QNPBKFCFVZJVRN-UHFFFAOYSA-N 2 1 295.387 -0.234 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CC=CC1 ZINC001349075562 890756459 /nfs/dbraw/zinc/75/64/59/890756459.db2.gz XDGTUNIKBCJPDG-QWHCGFSZSA-N 2 1 264.373 -0.637 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2CC[NH2+]CC2)C1 ZINC001349098760 890759264 /nfs/dbraw/zinc/75/92/64/890759264.db2.gz JKMNVZCYOKPNLK-ZDUSSCGKSA-N 2 1 296.415 -0.310 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCNC(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001349109075 890762169 /nfs/dbraw/zinc/76/21/69/890762169.db2.gz HQDDJQGBCKKPRT-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP C/C(=C/C(=O)NC[C@@H]1CC[N@@H+]1C)C(=O)NC[C@@H]1CC[NH+]1C ZINC001349300606 890790905 /nfs/dbraw/zinc/79/09/05/890790905.db2.gz SFUHHJILIQHDMH-WDSMJVJCSA-N 2 1 294.399 -0.427 20 0 CBADMP NC(=O)Cn1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)nn1 ZINC001349325872 890797376 /nfs/dbraw/zinc/79/73/76/890797376.db2.gz RYUGREUZFPKVOO-JTQLQIEISA-N 2 1 266.349 -0.676 20 0 CBADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)C2)nn1 ZINC001349399016 890804953 /nfs/dbraw/zinc/80/49/53/890804953.db2.gz VDXBCQGWBRCDJK-AWEZNQCLSA-N 3 1 293.419 -0.721 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(CC(=O)N2CC[NH2+]CC2)C1 ZINC001349485677 890825104 /nfs/dbraw/zinc/82/51/04/890825104.db2.gz BOLHQEQSZUFOIV-CYBMUJFWSA-N 2 1 268.405 -0.308 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001350058658 890930457 /nfs/dbraw/zinc/93/04/57/890930457.db2.gz QHIFMISDZHQCQN-PHIMTYICSA-N 2 1 282.388 -0.608 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001350058598 890931257 /nfs/dbraw/zinc/93/12/57/890931257.db2.gz PKBCVJATNBMPEW-UPJWGTAASA-N 2 1 296.415 -0.312 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC001350092709 890937198 /nfs/dbraw/zinc/93/71/98/890937198.db2.gz OJTIEAJUJGXDFB-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001350224706 890949525 /nfs/dbraw/zinc/94/95/25/890949525.db2.gz XUBVQSXLAKDVDG-FIQHERPVSA-N 2 1 268.361 -0.816 20 0 CBADMP C[C@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)[NH+](C)C ZINC001350812411 891050843 /nfs/dbraw/zinc/05/08/43/891050843.db2.gz LOGFMFJOONAEMQ-SECBINFHSA-N 2 1 256.350 -0.998 20 0 CBADMP CN(CCNC(=O)CCC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449170163 913527884 /nfs/dbraw/zinc/52/78/84/913527884.db2.gz FCWXAUDTIHYUHI-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@H](C(=O)NCCOCCC[NH3+])N1CC[NH+](C)CC1 ZINC001352849310 891309925 /nfs/dbraw/zinc/30/99/25/891309925.db2.gz FQVNNDUFYBTLQD-GFCCVEGCSA-N 2 1 272.393 -0.896 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH+](C)CCO)C1 ZINC001449220913 913546966 /nfs/dbraw/zinc/54/69/66/913546966.db2.gz XXTKKJNBZZRCNK-QWHCGFSZSA-N 2 1 287.404 -0.928 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N(C)C[C@H](O)C[N@H+](C)CCO)C1 ZINC001449220913 913546981 /nfs/dbraw/zinc/54/69/81/913546981.db2.gz XXTKKJNBZZRCNK-QWHCGFSZSA-N 2 1 287.404 -0.928 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)C1 ZINC001449220913 913546993 /nfs/dbraw/zinc/54/69/93/913546993.db2.gz XXTKKJNBZZRCNK-QWHCGFSZSA-N 2 1 287.404 -0.928 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH+](C)CCO)C1 ZINC001449220885 913547149 /nfs/dbraw/zinc/54/71/49/913547149.db2.gz XXTKKJNBZZRCNK-CHWSQXEVSA-N 2 1 287.404 -0.928 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@H](O)C[N@H+](C)CCO)C1 ZINC001449220885 913547156 /nfs/dbraw/zinc/54/71/56/913547156.db2.gz XXTKKJNBZZRCNK-CHWSQXEVSA-N 2 1 287.404 -0.928 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)C1 ZINC001449220885 913547161 /nfs/dbraw/zinc/54/71/61/913547161.db2.gz XXTKKJNBZZRCNK-CHWSQXEVSA-N 2 1 287.404 -0.928 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H](C[NH3+])C1CC1 ZINC001353005411 891341553 /nfs/dbraw/zinc/34/15/53/891341553.db2.gz RTXNYBHEIFAFBQ-ADEWGFFLSA-N 2 1 252.362 -0.772 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001353049300 891348680 /nfs/dbraw/zinc/34/86/80/891348680.db2.gz UZXVYEPEFOZAEX-VHSXEESVSA-N 2 1 268.361 -0.807 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001353049472 891349908 /nfs/dbraw/zinc/34/99/08/891349908.db2.gz ZQQRGNNTAJIBBI-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001449242365 913553789 /nfs/dbraw/zinc/55/37/89/913553789.db2.gz ZMXAMAVEGMALNN-CHWSQXEVSA-N 2 1 287.404 -0.928 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001449242365 913553801 /nfs/dbraw/zinc/55/38/01/913553801.db2.gz ZMXAMAVEGMALNN-CHWSQXEVSA-N 2 1 287.404 -0.928 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001449242365 913553817 /nfs/dbraw/zinc/55/38/17/913553817.db2.gz ZMXAMAVEGMALNN-CHWSQXEVSA-N 2 1 287.404 -0.928 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001449242366 913554080 /nfs/dbraw/zinc/55/40/80/913554080.db2.gz ZMXAMAVEGMALNN-OLZOCXBDSA-N 2 1 287.404 -0.928 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001449242366 913554092 /nfs/dbraw/zinc/55/40/92/913554092.db2.gz ZMXAMAVEGMALNN-OLZOCXBDSA-N 2 1 287.404 -0.928 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001449242366 913554100 /nfs/dbraw/zinc/55/41/00/913554100.db2.gz ZMXAMAVEGMALNN-OLZOCXBDSA-N 2 1 287.404 -0.928 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001353324144 891405531 /nfs/dbraw/zinc/40/55/31/891405531.db2.gz QHIFMISDZHQCQN-XYPYZODXSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001353449092 891428185 /nfs/dbraw/zinc/42/81/85/891428185.db2.gz ZNTDZQUJQPLBGF-MDZLAQPJSA-N 2 1 255.362 -0.300 20 0 CBADMP CC(C)N(CCN(C)CC(N)=O)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001449264773 913558185 /nfs/dbraw/zinc/55/81/85/913558185.db2.gz DAQVFPUPIDJMAY-CYBMUJFWSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001353591804 891449460 /nfs/dbraw/zinc/44/94/60/891449460.db2.gz VTMOEGQFOQWNMM-DTWKUNHWSA-N 2 1 251.334 -0.301 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C2(C[NH3+])CC(O)C2)C[N@H+]1C1CC1 ZINC001353580624 891449804 /nfs/dbraw/zinc/44/98/04/891449804.db2.gz AFUGHWICYIWTAO-QKEORKQXSA-N 2 1 267.373 -0.172 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001353591011 891450207 /nfs/dbraw/zinc/45/02/07/891450207.db2.gz BZPJKAQGEGNZNL-GRYCIOLGSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C2(C[NH3+])CC(O)C2)C[N@H+]1C1CC1 ZINC001353580625 891450777 /nfs/dbraw/zinc/45/07/77/891450777.db2.gz AFUGHWICYIWTAO-XOAXOQPSSA-N 2 1 267.373 -0.172 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001353727710 891467691 /nfs/dbraw/zinc/46/76/91/891467691.db2.gz LKPCOPCQQKNNRI-UPJWGTAASA-N 2 1 268.405 -0.311 20 0 CBADMP [NH3+][C@@H]1C[C@H](C(=O)NCC[N@H+]2CCCOCC2)[C@H]2C[C@H]21 ZINC001353759313 891470435 /nfs/dbraw/zinc/47/04/35/891470435.db2.gz CFOHGPKPTFKJHA-QNWHQSFQSA-N 2 1 267.373 -0.192 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001354343372 891568861 /nfs/dbraw/zinc/56/88/61/891568861.db2.gz OVLKUMNQUSYLNL-QWHCGFSZSA-N 2 1 269.389 -0.066 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001354580085 891596299 /nfs/dbraw/zinc/59/62/99/891596299.db2.gz GEXOIIRCYYDOST-GMTAPVOTSA-N 2 1 255.362 -0.220 20 0 CBADMP [NH3+]CC1(CC(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001354771406 891615539 /nfs/dbraw/zinc/61/55/39/891615539.db2.gz WCSTXODAKKPEBS-UHFFFAOYSA-N 3 1 254.378 -0.345 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])[C@H]2C1 ZINC001356414315 891756490 /nfs/dbraw/zinc/75/64/90/891756490.db2.gz XMYLEUZOHUASNY-UHFZAUJKSA-N 2 1 253.346 -0.441 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001356438049 891759061 /nfs/dbraw/zinc/75/90/61/891759061.db2.gz NIEKSCMBAVFCDA-MNOVXSKESA-N 2 1 280.372 -0.663 20 0 CBADMP CN1CCN(C[C@@H](O)C[NH2+]CCCC[NH+](C)C)CC1 ZINC001356568150 891777415 /nfs/dbraw/zinc/77/74/15/891777415.db2.gz AOLGDDRNPHHDEK-AWEZNQCLSA-N 2 1 272.437 -0.474 20 0 CBADMP C[C@@H](NC(=O)NCC1([NH3+])CC1)[C@H]1C[N@H+](C)CCO1 ZINC001357262879 891865556 /nfs/dbraw/zinc/86/55/56/891865556.db2.gz WPRLRQLXVZINRM-NXEZZACHSA-N 2 1 256.350 -0.504 20 0 CBADMP C[C@@H](NC(=O)NCC1([NH3+])CC1)[C@H]1C[N@@H+](C)CCO1 ZINC001357262879 891865563 /nfs/dbraw/zinc/86/55/63/891865563.db2.gz WPRLRQLXVZINRM-NXEZZACHSA-N 2 1 256.350 -0.504 20 0 CBADMP C[C@H](NC(=O)NCC1([NH3+])CC1)[C@H]1C[N@H+](C)CCO1 ZINC001357262881 891865936 /nfs/dbraw/zinc/86/59/36/891865936.db2.gz WPRLRQLXVZINRM-VHSXEESVSA-N 2 1 256.350 -0.504 20 0 CBADMP C[C@H](NC(=O)NCC1([NH3+])CC1)[C@H]1C[N@@H+](C)CCO1 ZINC001357262881 891865948 /nfs/dbraw/zinc/86/59/48/891865948.db2.gz WPRLRQLXVZINRM-VHSXEESVSA-N 2 1 256.350 -0.504 20 0 CBADMP NC(=O)NCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001357244240 891866955 /nfs/dbraw/zinc/86/69/55/891866955.db2.gz YEGQXZQLCLHSSB-OAHLLOKOSA-N 2 1 292.383 -0.119 20 0 CBADMP NC(=O)NCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001357244240 891866967 /nfs/dbraw/zinc/86/69/67/891866967.db2.gz YEGQXZQLCLHSSB-OAHLLOKOSA-N 2 1 292.383 -0.119 20 0 CBADMP CC(C)(O)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001357369668 891878147 /nfs/dbraw/zinc/87/81/47/891878147.db2.gz ZJHVYEAJUQESJL-GMTAPVOTSA-N 2 1 255.362 -0.172 20 0 CBADMP CC(C)(O)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC001357369669 891879074 /nfs/dbraw/zinc/87/90/74/891879074.db2.gz ZJHVYEAJUQESJL-HBNTYKKESA-N 2 1 255.362 -0.172 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[N@H+]1C ZINC001357405579 891886648 /nfs/dbraw/zinc/88/66/48/891886648.db2.gz TXHODYTZFXBJAO-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)CC1 ZINC001357453452 891893758 /nfs/dbraw/zinc/89/37/58/891893758.db2.gz NWXXLIJOZFCLTA-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CC[NH2+]C[C@H]1C(F)F ZINC001357471561 891901427 /nfs/dbraw/zinc/90/14/27/891901427.db2.gz GDQUEXLQLRDPCL-KATARQTJSA-N 2 1 259.300 -0.093 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001357642731 891924277 /nfs/dbraw/zinc/92/42/77/891924277.db2.gz IMTGCBVFXAMIEP-WISYIIOYSA-N 2 1 266.389 -0.383 20 0 CBADMP O=C(NCC[C@@H]1CSCC[NH2+]1)[C@@H]1CSC[NH2+]1 ZINC001357658515 891928329 /nfs/dbraw/zinc/92/83/29/891928329.db2.gz BTKXHHOWWQPDCA-BDAKNGLRSA-N 2 1 261.416 -0.140 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001357923857 891948277 /nfs/dbraw/zinc/94/82/77/891948277.db2.gz XKFOQZJKVIUIBJ-STQMWFEESA-N 2 1 284.404 -0.931 20 0 CBADMP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001357967066 891949596 /nfs/dbraw/zinc/94/95/96/891949596.db2.gz PEEUKPVHSNNLFC-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001357967069 891949861 /nfs/dbraw/zinc/94/98/61/891949861.db2.gz PEEUKPVHSNNLFC-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP C[C@@H]1[C@H](NC(=O)c2cn(CCCC[NH3+])nn2)CC[N@H+]1C ZINC001358185319 891978528 /nfs/dbraw/zinc/97/85/28/891978528.db2.gz IUGBEGJYSHCPRS-GHMZBOCLSA-N 2 1 280.376 -0.161 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001358249012 891986993 /nfs/dbraw/zinc/98/69/93/891986993.db2.gz BLCHUNHJSSEGOA-JHJVBQTASA-N 2 1 266.389 -0.428 20 0 CBADMP C[C@@H](CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001361832226 892266793 /nfs/dbraw/zinc/26/67/93/892266793.db2.gz HGSFJNWDIIZMIM-STQMWFEESA-N 2 1 270.421 -0.064 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001362270122 892553718 /nfs/dbraw/zinc/55/37/18/892553718.db2.gz NZIWCVWHIYEYPX-BZPMIXESSA-N 2 1 287.404 -0.740 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H](F)C1)NCC[NH+]1CCC(O)CC1 ZINC001362965161 893209600 /nfs/dbraw/zinc/20/96/00/893209600.db2.gz HUDZBVFPGFAYBY-GFCCVEGCSA-N 2 1 287.379 -0.007 20 0 CBADMP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC001363127805 893386990 /nfs/dbraw/zinc/38/69/90/893386990.db2.gz PEQHSXMJDMFGOL-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@H]1CN(CC(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC001363226685 893476013 /nfs/dbraw/zinc/47/60/13/893476013.db2.gz WXMJVMMTBBTRHX-ZDUSSCGKSA-N 2 1 298.431 -0.805 20 0 CBADMP C[C@H]1CN(CC(=O)NC2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC001363226685 893476020 /nfs/dbraw/zinc/47/60/20/893476020.db2.gz WXMJVMMTBBTRHX-ZDUSSCGKSA-N 2 1 298.431 -0.805 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC001363274892 893523095 /nfs/dbraw/zinc/52/30/95/893523095.db2.gz SGXRQZKTAGXRHV-DZGCQCFKSA-N 2 1 299.415 -0.426 20 0 CBADMP CC(C)[N@H+]1CCC[C@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC001363274892 893523114 /nfs/dbraw/zinc/52/31/14/893523114.db2.gz SGXRQZKTAGXRHV-DZGCQCFKSA-N 2 1 299.415 -0.426 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@]3(CCOC3=O)C2)CC1 ZINC001363313378 893571429 /nfs/dbraw/zinc/57/14/29/893571429.db2.gz OVCJVOKUUAKOKK-OAHLLOKOSA-N 2 1 295.383 -0.164 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](CO)[C@H](CCO)C2)CC1 ZINC001363336948 893596977 /nfs/dbraw/zinc/59/69/77/893596977.db2.gz XUWXYMBRKRPODP-CHWSQXEVSA-N 2 1 299.415 -0.881 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001363371796 893621483 /nfs/dbraw/zinc/62/14/83/893621483.db2.gz QXHCNQHDPZUZJV-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)C1 ZINC001363371796 893621493 /nfs/dbraw/zinc/62/14/93/893621493.db2.gz QXHCNQHDPZUZJV-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)C1 ZINC001363371796 893621499 /nfs/dbraw/zinc/62/14/99/893621499.db2.gz QXHCNQHDPZUZJV-HZSPNIEDSA-N 2 1 281.400 -0.004 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC([NH2+]C3CCOCC3)C2)C1 ZINC001363429503 893671888 /nfs/dbraw/zinc/67/18/88/893671888.db2.gz HHFAKZODPNEWDN-CQSZACIVSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC([NH2+]C3CCOCC3)C2)C1 ZINC001363429503 893671893 /nfs/dbraw/zinc/67/18/93/893671893.db2.gz HHFAKZODPNEWDN-CQSZACIVSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[N@@H+]1CC[C@@H]1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001363475542 893716423 /nfs/dbraw/zinc/71/64/23/893716423.db2.gz LPNLMKBTRAKOEZ-GFCCVEGCSA-N 2 1 282.388 -0.687 20 0 CBADMP CC[N@H+]1CC[C@@H]1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001363475542 893716433 /nfs/dbraw/zinc/71/64/33/893716433.db2.gz LPNLMKBTRAKOEZ-GFCCVEGCSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N2CCN(C3C[NH+](C)C3)CC2)C1 ZINC001363569572 893802497 /nfs/dbraw/zinc/80/24/97/893802497.db2.gz RCVPZWNVBYDNPB-CYBMUJFWSA-N 2 1 280.416 -0.214 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C3C[NH+](C)C3)CC2)C1 ZINC001363569572 893802517 /nfs/dbraw/zinc/80/25/17/893802517.db2.gz RCVPZWNVBYDNPB-CYBMUJFWSA-N 2 1 280.416 -0.214 20 0 CBADMP CO[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1O ZINC001363793474 893995962 /nfs/dbraw/zinc/99/59/62/893995962.db2.gz ADDCQCRNVRVMED-ZIAGYGMSSA-N 2 1 299.415 -0.333 20 0 CBADMP CO[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1O ZINC001363793474 893995972 /nfs/dbraw/zinc/99/59/72/893995972.db2.gz ADDCQCRNVRVMED-ZIAGYGMSSA-N 2 1 299.415 -0.333 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001363962576 894118348 /nfs/dbraw/zinc/11/83/48/894118348.db2.gz NVFLGXJKMLRRIS-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC001363962576 894118353 /nfs/dbraw/zinc/11/83/53/894118353.db2.gz NVFLGXJKMLRRIS-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001364539980 894486449 /nfs/dbraw/zinc/48/64/49/894486449.db2.gz ZBENHMCUFHYUCR-MELADBBJSA-N 2 1 289.395 -0.347 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001364539980 894486456 /nfs/dbraw/zinc/48/64/56/894486456.db2.gz ZBENHMCUFHYUCR-MELADBBJSA-N 2 1 289.395 -0.347 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001364539980 894486461 /nfs/dbraw/zinc/48/64/61/894486461.db2.gz ZBENHMCUFHYUCR-MELADBBJSA-N 2 1 289.395 -0.347 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001364539980 894486471 /nfs/dbraw/zinc/48/64/71/894486471.db2.gz ZBENHMCUFHYUCR-MELADBBJSA-N 2 1 289.395 -0.347 20 0 CBADMP CN(C)S(=O)(=O)CCN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001364776138 894610617 /nfs/dbraw/zinc/61/06/17/894610617.db2.gz JOQDNQKNWVVJHN-NEPJUHHUSA-N 2 1 275.418 -0.239 20 0 CBADMP CN(C)S(=O)(=O)CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001364776138 894610626 /nfs/dbraw/zinc/61/06/26/894610626.db2.gz JOQDNQKNWVVJHN-NEPJUHHUSA-N 2 1 275.418 -0.239 20 0 CBADMP CN(C)S(=O)(=O)CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001364776138 894610637 /nfs/dbraw/zinc/61/06/37/894610637.db2.gz JOQDNQKNWVVJHN-NEPJUHHUSA-N 2 1 275.418 -0.239 20 0 CBADMP CN(C)S(=O)(=O)CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001364776138 894610647 /nfs/dbraw/zinc/61/06/47/894610647.db2.gz JOQDNQKNWVVJHN-NEPJUHHUSA-N 2 1 275.418 -0.239 20 0 CBADMP CN(C)S(=O)(=O)CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001364776138 894610654 /nfs/dbraw/zinc/61/06/54/894610654.db2.gz JOQDNQKNWVVJHN-NEPJUHHUSA-N 2 1 275.418 -0.239 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@]3(CCOC3=O)C2)CC1 ZINC001364833261 894647006 /nfs/dbraw/zinc/64/70/06/894647006.db2.gz BOOOXXNFDSTDJF-HNNXBMFYSA-N 2 1 295.383 -0.211 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@]3(CCOC3=O)C2)CC1 ZINC001364833261 894647013 /nfs/dbraw/zinc/64/70/13/894647013.db2.gz BOOOXXNFDSTDJF-HNNXBMFYSA-N 2 1 295.383 -0.211 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001364944120 894692877 /nfs/dbraw/zinc/69/28/77/894692877.db2.gz DDVSECIBCUUDFJ-GXTWGEPZSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@H]1COCCN1CC[N@@H+]1CCN(CCO)C[C@@H]1C ZINC001365308719 894887985 /nfs/dbraw/zinc/88/79/85/894887985.db2.gz FRMMBWUEBGTPBD-KBPBESRZSA-N 2 1 271.405 -0.295 20 0 CBADMP C[C@H]1COCCN1CC[N@H+]1CCN(CCO)C[C@@H]1C ZINC001365308719 894887996 /nfs/dbraw/zinc/88/79/96/894887996.db2.gz FRMMBWUEBGTPBD-KBPBESRZSA-N 2 1 271.405 -0.295 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCCN(CC(=O)NC)CC1 ZINC001365331504 894908611 /nfs/dbraw/zinc/90/86/11/894908611.db2.gz FNDNYQMLDXKJGJ-ZDUSSCGKSA-N 2 1 286.420 -0.947 20 0 CBADMP CC[N@H+](C)C[C@H](O)CN1CCC[NH+](CC(=O)NC)CC1 ZINC001365331504 894908622 /nfs/dbraw/zinc/90/86/22/894908622.db2.gz FNDNYQMLDXKJGJ-ZDUSSCGKSA-N 2 1 286.420 -0.947 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCC[NH+](CC(=O)NC)CC1 ZINC001365331504 894908634 /nfs/dbraw/zinc/90/86/34/894908634.db2.gz FNDNYQMLDXKJGJ-ZDUSSCGKSA-N 2 1 286.420 -0.947 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CCC[N@H+](CC(=O)NC)CC1 ZINC001365331504 894908645 /nfs/dbraw/zinc/90/86/45/894908645.db2.gz FNDNYQMLDXKJGJ-ZDUSSCGKSA-N 2 1 286.420 -0.947 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CCC[N@@H+](CC(=O)NC)CC1 ZINC001365331504 894908656 /nfs/dbraw/zinc/90/86/56/894908656.db2.gz FNDNYQMLDXKJGJ-ZDUSSCGKSA-N 2 1 286.420 -0.947 20 0 CBADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)C2 ZINC001365590723 895034567 /nfs/dbraw/zinc/03/45/67/895034567.db2.gz VVAUJWTWWHJZQR-FLTXBFBQSA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001365590723 895034585 /nfs/dbraw/zinc/03/45/85/895034585.db2.gz VVAUJWTWWHJZQR-FLTXBFBQSA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001365590723 895034602 /nfs/dbraw/zinc/03/46/02/895034602.db2.gz VVAUJWTWWHJZQR-FLTXBFBQSA-N 2 1 296.415 -0.023 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001365812669 895124704 /nfs/dbraw/zinc/12/47/04/895124704.db2.gz XYHCWUIUUYGVEQ-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001365819679 895128064 /nfs/dbraw/zinc/12/80/64/895128064.db2.gz VOBOYPBIHBOMEZ-XQQFMLRXSA-N 2 1 296.415 -0.170 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001365827112 895128515 /nfs/dbraw/zinc/12/85/15/895128515.db2.gz RGVAGALFESKNQQ-SDDRHHMPSA-N 2 1 284.404 -0.314 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940600 895144662 /nfs/dbraw/zinc/14/46/62/895144662.db2.gz HNRCQTKOYBXWCS-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940600 895144666 /nfs/dbraw/zinc/14/46/66/895144666.db2.gz HNRCQTKOYBXWCS-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCN1CC[NH+](CCO)CC1 ZINC001365959909 895152515 /nfs/dbraw/zinc/15/25/15/895152515.db2.gz NMZSSUDSFDAXBF-AWEZNQCLSA-N 2 1 298.431 -0.803 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001365995660 895166265 /nfs/dbraw/zinc/16/62/65/895166265.db2.gz MDQVXBRHDZIDPY-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001365995660 895166268 /nfs/dbraw/zinc/16/62/68/895166268.db2.gz MDQVXBRHDZIDPY-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001365995660 895166274 /nfs/dbraw/zinc/16/62/74/895166274.db2.gz MDQVXBRHDZIDPY-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001365995660 895166278 /nfs/dbraw/zinc/16/62/78/895166278.db2.gz MDQVXBRHDZIDPY-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001366118515 895198502 /nfs/dbraw/zinc/19/85/02/895198502.db2.gz OMTOOIOQHUZYHY-SRVKXCTJSA-N 2 1 282.388 -0.547 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366130147 895200146 /nfs/dbraw/zinc/20/01/46/895200146.db2.gz ZZESWDAPABHHAL-FDYHWXHSSA-N 2 1 285.388 -0.818 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001366129517 895201523 /nfs/dbraw/zinc/20/15/23/895201523.db2.gz FPXJRYDXMWHFRV-HAQNSBGRSA-N 2 1 294.403 -0.108 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366166630 895213855 /nfs/dbraw/zinc/21/38/55/895213855.db2.gz DVVPTFQIQMPDLQ-RWMBFGLXSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[C@@H]([NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001366281493 895258391 /nfs/dbraw/zinc/25/83/91/895258391.db2.gz AWLROGLCHABJNL-CMPLNLGQSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1nncn1C ZINC001366283627 895260243 /nfs/dbraw/zinc/26/02/43/895260243.db2.gz GDMYJEZPZWUNKW-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1nncn1C ZINC001366283627 895260254 /nfs/dbraw/zinc/26/02/54/895260254.db2.gz GDMYJEZPZWUNKW-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)C1 ZINC001366320343 895274640 /nfs/dbraw/zinc/27/46/40/895274640.db2.gz ODLPPXCXBHHJSX-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(N)=O)C1 ZINC001366320345 895276826 /nfs/dbraw/zinc/27/68/26/895276826.db2.gz ODLPPXCXBHHJSX-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP CCn1ncc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001366329262 895282314 /nfs/dbraw/zinc/28/23/14/895282314.db2.gz XEUVTPOLMZSJIK-NSHDSACASA-N 2 1 282.392 -0.156 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001366348295 895289056 /nfs/dbraw/zinc/28/90/56/895289056.db2.gz SXLPHFPCBIMLKH-WDEREUQCSA-N 2 1 270.377 -0.832 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001366346535 895290516 /nfs/dbraw/zinc/29/05/16/895290516.db2.gz ULMVYQDYDRCSDH-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001366382801 895302285 /nfs/dbraw/zinc/30/22/85/895302285.db2.gz WWGUQLRRFULWFO-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001366471155 895328611 /nfs/dbraw/zinc/32/86/11/895328611.db2.gz ISNSDGJCXBLDJQ-MNOVXSKESA-N 2 1 284.404 -0.171 20 0 CBADMP CCN1CC[C@H](N(C)CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001366522429 895354259 /nfs/dbraw/zinc/35/42/59/895354259.db2.gz XWJVJOSMFIGZCL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001366522429 895354276 /nfs/dbraw/zinc/35/42/76/895354276.db2.gz XWJVJOSMFIGZCL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001366522429 895354294 /nfs/dbraw/zinc/35/42/94/895354294.db2.gz XWJVJOSMFIGZCL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001366522429 895354328 /nfs/dbraw/zinc/35/43/28/895354328.db2.gz XWJVJOSMFIGZCL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001366539330 895370298 /nfs/dbraw/zinc/37/02/98/895370298.db2.gz ZGFOLCGKKTXWHX-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001366539330 895370314 /nfs/dbraw/zinc/37/03/14/895370314.db2.gz ZGFOLCGKKTXWHX-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001366565314 895383323 /nfs/dbraw/zinc/38/33/23/895383323.db2.gz ZDXHOFIEGOGRIJ-NSHDSACASA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001366565314 895383340 /nfs/dbraw/zinc/38/33/40/895383340.db2.gz ZDXHOFIEGOGRIJ-NSHDSACASA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001366565314 895383355 /nfs/dbraw/zinc/38/33/55/895383355.db2.gz ZDXHOFIEGOGRIJ-NSHDSACASA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001366565314 895383365 /nfs/dbraw/zinc/38/33/65/895383365.db2.gz ZDXHOFIEGOGRIJ-NSHDSACASA-N 2 1 286.420 -0.114 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O)[NH+](C)C ZINC001366584621 895393728 /nfs/dbraw/zinc/39/37/28/895393728.db2.gz NAKZJEQQUXJHGE-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O)[NH+](C)C ZINC001366584621 895393736 /nfs/dbraw/zinc/39/37/36/895393736.db2.gz NAKZJEQQUXJHGE-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCN(C)C1=O ZINC001366602636 895406824 /nfs/dbraw/zinc/40/68/24/895406824.db2.gz HFUGQMVIUMULBE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCN(C)C1=O ZINC001366602636 895406830 /nfs/dbraw/zinc/40/68/30/895406830.db2.gz HFUGQMVIUMULBE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCN(C)C1=O ZINC001366602636 895406838 /nfs/dbraw/zinc/40/68/38/895406838.db2.gz HFUGQMVIUMULBE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC(C)C ZINC001366641349 895418060 /nfs/dbraw/zinc/41/80/60/895418060.db2.gz SGYWJPWBYYUJSW-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC(C)C ZINC001366641349 895418064 /nfs/dbraw/zinc/41/80/64/895418064.db2.gz SGYWJPWBYYUJSW-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NC(C)C ZINC001366641349 895418074 /nfs/dbraw/zinc/41/80/74/895418074.db2.gz SGYWJPWBYYUJSW-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NC(C)C ZINC001366641349 895418083 /nfs/dbraw/zinc/41/80/83/895418083.db2.gz SGYWJPWBYYUJSW-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCCN1CC(=O)N(C)C ZINC001366671047 895426859 /nfs/dbraw/zinc/42/68/59/895426859.db2.gz BGMDUOHAXKRCNC-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC(=O)N(C)C ZINC001366671047 895426862 /nfs/dbraw/zinc/42/68/62/895426862.db2.gz BGMDUOHAXKRCNC-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC(=O)N(C)C ZINC001366671047 895426863 /nfs/dbraw/zinc/42/68/63/895426863.db2.gz BGMDUOHAXKRCNC-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC001366671047 895426865 /nfs/dbraw/zinc/42/68/65/895426865.db2.gz BGMDUOHAXKRCNC-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001366741560 895445487 /nfs/dbraw/zinc/44/54/87/895445487.db2.gz HZLQHECHFUKSJG-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001366741560 895445493 /nfs/dbraw/zinc/44/54/93/895445493.db2.gz HZLQHECHFUKSJG-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001366741560 895445497 /nfs/dbraw/zinc/44/54/97/895445497.db2.gz HZLQHECHFUKSJG-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001366741560 895445502 /nfs/dbraw/zinc/44/55/02/895445502.db2.gz HZLQHECHFUKSJG-WCQYABFASA-N 2 1 296.415 -0.075 20 0 CBADMP CNC(=O)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001366760563 895448498 /nfs/dbraw/zinc/44/84/98/895448498.db2.gz KCUQTRLRKPBGIB-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001366760563 895448507 /nfs/dbraw/zinc/44/85/07/895448507.db2.gz KCUQTRLRKPBGIB-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001366760563 895448515 /nfs/dbraw/zinc/44/85/15/895448515.db2.gz KCUQTRLRKPBGIB-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366760563 895448527 /nfs/dbraw/zinc/44/85/27/895448527.db2.gz KCUQTRLRKPBGIB-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP COC[C@H](O)C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001366759159 895449029 /nfs/dbraw/zinc/44/90/29/895449029.db2.gz HROLOEIJUUGNHV-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001366759159 895449034 /nfs/dbraw/zinc/44/90/34/895449034.db2.gz HROLOEIJUUGNHV-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366759159 895449037 /nfs/dbraw/zinc/44/90/37/895449037.db2.gz HROLOEIJUUGNHV-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP CCN1CC[C@H]([NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)C1=O ZINC001366775063 895456520 /nfs/dbraw/zinc/45/65/20/895456520.db2.gz MACVSHZZPUGRKW-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001366779040 895460800 /nfs/dbraw/zinc/46/08/00/895460800.db2.gz QRVVWMXKYCZMMJ-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001366851958 895474947 /nfs/dbraw/zinc/47/49/47/895474947.db2.gz IUXLUPCPAKZYFD-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001366885911 895476901 /nfs/dbraw/zinc/47/69/01/895476901.db2.gz XOTRBDGWJQTWMF-OCCSQVGLSA-N 2 1 298.431 -0.162 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001366894726 895482341 /nfs/dbraw/zinc/48/23/41/895482341.db2.gz VYTSFSXNPFMXLI-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366894726 895482345 /nfs/dbraw/zinc/48/23/45/895482345.db2.gz VYTSFSXNPFMXLI-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001366894726 895482348 /nfs/dbraw/zinc/48/23/48/895482348.db2.gz VYTSFSXNPFMXLI-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)CN1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366937712 895496381 /nfs/dbraw/zinc/49/63/81/895496381.db2.gz APHAAJZSPMKMQQ-WCQYABFASA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001366963103 895507953 /nfs/dbraw/zinc/50/79/53/895507953.db2.gz MXCILJWHSZVGRR-MRVWCRGKSA-N 2 1 299.415 -0.618 20 0 CBADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001366993144 895521626 /nfs/dbraw/zinc/52/16/26/895521626.db2.gz LRMGRFCQWGJPAH-XDQVBPFNSA-N 2 1 297.399 -0.627 20 0 CBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001366993144 895521644 /nfs/dbraw/zinc/52/16/44/895521644.db2.gz LRMGRFCQWGJPAH-XDQVBPFNSA-N 2 1 297.399 -0.627 20 0 CBADMP COC[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001366993144 895521653 /nfs/dbraw/zinc/52/16/53/895521653.db2.gz LRMGRFCQWGJPAH-XDQVBPFNSA-N 2 1 297.399 -0.627 20 0 CBADMP COC[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001366993144 895521665 /nfs/dbraw/zinc/52/16/65/895521665.db2.gz LRMGRFCQWGJPAH-XDQVBPFNSA-N 2 1 297.399 -0.627 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001367020987 895529317 /nfs/dbraw/zinc/52/93/17/895529317.db2.gz YNECIKNISBMMCX-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC001367020987 895529328 /nfs/dbraw/zinc/52/93/28/895529328.db2.gz YNECIKNISBMMCX-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001367020987 895529338 /nfs/dbraw/zinc/52/93/38/895529338.db2.gz YNECIKNISBMMCX-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001367034420 895541674 /nfs/dbraw/zinc/54/16/74/895541674.db2.gz XSGSZNMRFHLEJP-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001367034420 895541678 /nfs/dbraw/zinc/54/16/78/895541678.db2.gz XSGSZNMRFHLEJP-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001367039088 895542037 /nfs/dbraw/zinc/54/20/37/895542037.db2.gz MJIMVNLMANILIU-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001367060950 895555099 /nfs/dbraw/zinc/55/50/99/895555099.db2.gz HOOMAIYYJKQIKP-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001367060950 895555111 /nfs/dbraw/zinc/55/51/11/895555111.db2.gz HOOMAIYYJKQIKP-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001367060950 895555125 /nfs/dbraw/zinc/55/51/25/895555125.db2.gz HOOMAIYYJKQIKP-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001367060950 895555133 /nfs/dbraw/zinc/55/51/33/895555133.db2.gz HOOMAIYYJKQIKP-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001367118385 895569340 /nfs/dbraw/zinc/56/93/40/895569340.db2.gz YRJCIFSLOKJYSF-WCQYABFASA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001367118385 895569349 /nfs/dbraw/zinc/56/93/49/895569349.db2.gz YRJCIFSLOKJYSF-WCQYABFASA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001367216394 895582477 /nfs/dbraw/zinc/58/24/77/895582477.db2.gz UACCLVHEOYUORL-OLZOCXBDSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]CC(=O)NC1CC1 ZINC001367230887 895590960 /nfs/dbraw/zinc/59/09/60/895590960.db2.gz CUKGUVUMLHHEDN-AAEUAGOBSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001367242885 895592782 /nfs/dbraw/zinc/59/27/82/895592782.db2.gz XXRFZDXRVDKZAG-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001367263469 895600168 /nfs/dbraw/zinc/60/01/68/895600168.db2.gz CQRQOERFXNOFOW-CHWSQXEVSA-N 2 1 298.431 -0.064 20 0 CBADMP CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001367291440 895605107 /nfs/dbraw/zinc/60/51/07/895605107.db2.gz WAGLHKJSBXZZPC-ZYHUDNBSSA-N 2 1 295.387 -0.203 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367290015 895605385 /nfs/dbraw/zinc/60/53/85/895605385.db2.gz NQNGRDLYEHNAOQ-STQMWFEESA-N 2 1 298.431 -0.194 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]([NH2+][C@@H](C)C(N)=O)C(C)C ZINC001367475208 895641497 /nfs/dbraw/zinc/64/14/97/895641497.db2.gz YAAYEOHUWUTQRH-NWDGAFQWSA-N 2 1 295.387 -0.204 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001367492083 895645560 /nfs/dbraw/zinc/64/55/60/895645560.db2.gz LVHVVNQBVFFHNO-QWHCGFSZSA-N 2 1 298.431 -0.195 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001367552171 895661934 /nfs/dbraw/zinc/66/19/34/895661934.db2.gz NJSZPNYBOVSBNL-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001367546702 895662931 /nfs/dbraw/zinc/66/29/31/895662931.db2.gz SFKWSCNRQLGZNI-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001367546702 895662935 /nfs/dbraw/zinc/66/29/35/895662935.db2.gz SFKWSCNRQLGZNI-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367546702 895662944 /nfs/dbraw/zinc/66/29/44/895662944.db2.gz SFKWSCNRQLGZNI-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367546702 895662952 /nfs/dbraw/zinc/66/29/52/895662952.db2.gz SFKWSCNRQLGZNI-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001367645049 895719699 /nfs/dbraw/zinc/71/96/99/895719699.db2.gz RPRUPTQWXIPNSW-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001367646004 895722530 /nfs/dbraw/zinc/72/25/30/895722530.db2.gz YNZCHCMMIIQPSO-NEPJUHHUSA-N 2 1 286.420 -0.055 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001367653862 895724657 /nfs/dbraw/zinc/72/46/57/895724657.db2.gz BXWIOLHZFAPSIR-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367681858 895746812 /nfs/dbraw/zinc/74/68/12/895746812.db2.gz AZULSTDOUIMRQY-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367724745 895767749 /nfs/dbraw/zinc/76/77/49/895767749.db2.gz HADDYHNTYHXKAA-QWRGUYRKSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001367724745 895767769 /nfs/dbraw/zinc/76/77/69/895767769.db2.gz HADDYHNTYHXKAA-QWRGUYRKSA-N 2 1 280.376 -0.496 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001367733273 895781691 /nfs/dbraw/zinc/78/16/91/895781691.db2.gz YMFXFAMLVJCGPM-RWMBFGLXSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)CC[NH+](C)C ZINC001367752402 895790060 /nfs/dbraw/zinc/79/00/60/895790060.db2.gz IENUQLSBVXMULH-JTQLQIEISA-N 2 1 295.391 -0.446 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001367771485 895803810 /nfs/dbraw/zinc/80/38/10/895803810.db2.gz IXGUOAJBTLZWQZ-ONGXEEELSA-N 2 1 279.344 -0.826 20 0 CBADMP CC[C@@H](C(N)=O)N(C)C[C@@H](C)NC(=O)CCn1ccnc1 ZINC001367820916 895825427 /nfs/dbraw/zinc/82/54/27/895825427.db2.gz OMYULBNUWWYIKS-NEPJUHHUSA-N 2 1 295.387 -0.026 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367907258 895848512 /nfs/dbraw/zinc/84/85/12/895848512.db2.gz MDDBUPAXCPCNKV-NEPJUHHUSA-N 2 1 282.388 -0.560 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367907271 895849128 /nfs/dbraw/zinc/84/91/28/895849128.db2.gz MDDBUPAXCPCNKV-NWDGAFQWSA-N 2 1 282.388 -0.560 20 0 CBADMP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001367954251 895867603 /nfs/dbraw/zinc/86/76/03/895867603.db2.gz YLKCAOBSGYZVFQ-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+]1CCO ZINC001367954251 895867616 /nfs/dbraw/zinc/86/76/16/895867616.db2.gz YLKCAOBSGYZVFQ-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001367962225 895867838 /nfs/dbraw/zinc/86/78/38/895867838.db2.gz RDNIKBOAEWVWTM-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001368009940 895889409 /nfs/dbraw/zinc/88/94/09/895889409.db2.gz ADKNLZRCYQYYNK-STQMWFEESA-N 2 1 299.415 -0.284 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC(N)=O)CC2)C1 ZINC001368023706 895891295 /nfs/dbraw/zinc/89/12/95/895891295.db2.gz ZTZUURMKHZQPPT-LBPRGKRZSA-N 2 1 296.415 -0.168 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CC2)C1 ZINC001368023704 895892550 /nfs/dbraw/zinc/89/25/50/895892550.db2.gz ZTZUURMKHZQPPT-GFCCVEGCSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001368152853 895924382 /nfs/dbraw/zinc/92/43/82/895924382.db2.gz LFMXHJGHTACNKT-IAQYHMDHSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001368152853 895924393 /nfs/dbraw/zinc/92/43/93/895924393.db2.gz LFMXHJGHTACNKT-IAQYHMDHSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001368152853 895924404 /nfs/dbraw/zinc/92/44/04/895924404.db2.gz LFMXHJGHTACNKT-IAQYHMDHSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001368152853 895924412 /nfs/dbraw/zinc/92/44/12/895924412.db2.gz LFMXHJGHTACNKT-IAQYHMDHSA-N 2 1 296.415 -0.075 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001368184198 895929942 /nfs/dbraw/zinc/92/99/42/895929942.db2.gz VCZJZJSSDXYAIK-AWEZNQCLSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001368184198 895929956 /nfs/dbraw/zinc/92/99/56/895929956.db2.gz VCZJZJSSDXYAIK-AWEZNQCLSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001368184198 895929966 /nfs/dbraw/zinc/92/99/66/895929966.db2.gz VCZJZJSSDXYAIK-AWEZNQCLSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001368184198 895929973 /nfs/dbraw/zinc/92/99/73/895929973.db2.gz VCZJZJSSDXYAIK-AWEZNQCLSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001368172062 895930465 /nfs/dbraw/zinc/93/04/65/895930465.db2.gz FYVLQJAVCWISHS-FZMZJTMJSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001368172062 895930476 /nfs/dbraw/zinc/93/04/76/895930476.db2.gz FYVLQJAVCWISHS-FZMZJTMJSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC3CC3)C2)C1 ZINC001368244825 895937994 /nfs/dbraw/zinc/93/79/94/895937994.db2.gz FXYPYYDVJRNRRH-HIFRSBDPSA-N 2 1 297.399 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC3CC3)C2)C1 ZINC001368244825 895938004 /nfs/dbraw/zinc/93/80/04/895938004.db2.gz FXYPYYDVJRNRRH-HIFRSBDPSA-N 2 1 297.399 -0.720 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CC3CC3)C2)C1 ZINC001368244825 895938012 /nfs/dbraw/zinc/93/80/12/895938012.db2.gz FXYPYYDVJRNRRH-HIFRSBDPSA-N 2 1 297.399 -0.720 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC3CC3)C2)C1 ZINC001368244825 895938019 /nfs/dbraw/zinc/93/80/19/895938019.db2.gz FXYPYYDVJRNRRH-HIFRSBDPSA-N 2 1 297.399 -0.720 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001368395215 896000758 /nfs/dbraw/zinc/00/07/58/896000758.db2.gz BMDHNOAAPVEFSA-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001368395215 896000765 /nfs/dbraw/zinc/00/07/65/896000765.db2.gz BMDHNOAAPVEFSA-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001368471702 896019810 /nfs/dbraw/zinc/01/98/10/896019810.db2.gz YZXAVUYYRUGDCG-YIYPIFLZSA-N 2 1 299.415 -0.164 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001368471702 896019822 /nfs/dbraw/zinc/01/98/22/896019822.db2.gz YZXAVUYYRUGDCG-YIYPIFLZSA-N 2 1 299.415 -0.164 20 0 CBADMP CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001368612922 896044704 /nfs/dbraw/zinc/04/47/04/896044704.db2.gz LYBUDAHGSVCNSU-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001368612922 896044716 /nfs/dbraw/zinc/04/47/16/896044716.db2.gz LYBUDAHGSVCNSU-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001368654893 896055303 /nfs/dbraw/zinc/05/53/03/896055303.db2.gz OUAABTWKFYEWBR-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001368717226 896066290 /nfs/dbraw/zinc/06/62/90/896066290.db2.gz NNDKZEZHRNBZLY-YNEHKIRRSA-N 2 1 298.431 -0.053 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001368937995 896116216 /nfs/dbraw/zinc/11/62/16/896116216.db2.gz FESBAECYHMOIJE-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001368937995 896116219 /nfs/dbraw/zinc/11/62/19/896116219.db2.gz FESBAECYHMOIJE-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001368937995 896116224 /nfs/dbraw/zinc/11/62/24/896116224.db2.gz FESBAECYHMOIJE-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001368937995 896116226 /nfs/dbraw/zinc/11/62/26/896116226.db2.gz FESBAECYHMOIJE-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001368975354 896126061 /nfs/dbraw/zinc/12/60/61/896126061.db2.gz SVXXVSOYMFNKJH-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001368975354 896126065 /nfs/dbraw/zinc/12/60/65/896126065.db2.gz SVXXVSOYMFNKJH-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC(=O)N(C)C ZINC001369001731 896132654 /nfs/dbraw/zinc/13/26/54/896132654.db2.gz ALTNHVMIWUTQJU-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC(=O)N(C)C ZINC001369001731 896132661 /nfs/dbraw/zinc/13/26/61/896132661.db2.gz ALTNHVMIWUTQJU-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC001369001731 896132667 /nfs/dbraw/zinc/13/26/67/896132667.db2.gz ALTNHVMIWUTQJU-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001369001731 896132673 /nfs/dbraw/zinc/13/26/73/896132673.db2.gz ALTNHVMIWUTQJU-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)N(C)C ZINC001369012179 896136708 /nfs/dbraw/zinc/13/67/08/896136708.db2.gz YSJOSAAVXABBDS-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)N(C)C ZINC001369012179 896136715 /nfs/dbraw/zinc/13/67/15/896136715.db2.gz YSJOSAAVXABBDS-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)N(C)C ZINC001369012179 896136724 /nfs/dbraw/zinc/13/67/24/896136724.db2.gz YSJOSAAVXABBDS-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)N(C)C ZINC001369012179 896136731 /nfs/dbraw/zinc/13/67/31/896136731.db2.gz YSJOSAAVXABBDS-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)C[NH+]1CCCC1 ZINC001452808267 914038713 /nfs/dbraw/zinc/03/87/13/914038713.db2.gz SEQCNTUENIFTLG-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001369167416 896164054 /nfs/dbraw/zinc/16/40/54/896164054.db2.gz HEWLEWCFCFMSPG-LPWJVIDDSA-N 2 1 296.415 -0.301 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001369282238 896186705 /nfs/dbraw/zinc/18/67/05/896186705.db2.gz AKDLUOVGUMIPEA-LLVKDONJSA-N 2 1 295.387 -0.072 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001369302758 896194084 /nfs/dbraw/zinc/19/40/84/896194084.db2.gz JSKFNRLKKJDKRU-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001369302758 896194090 /nfs/dbraw/zinc/19/40/90/896194090.db2.gz JSKFNRLKKJDKRU-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001369316646 896208970 /nfs/dbraw/zinc/20/89/70/896208970.db2.gz XMAXKDPVCIERST-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001369331662 896218162 /nfs/dbraw/zinc/21/81/62/896218162.db2.gz OMDXOMDTVSYWDP-WCQYABFASA-N 2 1 298.387 -0.110 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001369403189 896260620 /nfs/dbraw/zinc/26/06/20/896260620.db2.gz OTRVKBXHHBQGCW-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001369438800 896270273 /nfs/dbraw/zinc/27/02/73/896270273.db2.gz CYSIXXWWJMYPDR-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]C[C@@H](C)O ZINC001369488948 896289084 /nfs/dbraw/zinc/28/90/84/896289084.db2.gz LIHUEOFNTWJSHU-VXGBXAGGSA-N 2 1 275.393 -0.884 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@H](C)O ZINC001369488947 896291394 /nfs/dbraw/zinc/29/13/94/896291394.db2.gz LIHUEOFNTWJSHU-RYUDHWBXSA-N 2 1 275.393 -0.884 20 0 CBADMP C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369515416 896309376 /nfs/dbraw/zinc/30/93/76/896309376.db2.gz NUZONPIMRJEXKP-OLZOCXBDSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)C12CC[NH+](CC1)C2 ZINC001369514948 896309482 /nfs/dbraw/zinc/30/94/82/896309482.db2.gz QZLSMLNUPMJPPE-CYBMUJFWSA-N 2 1 299.415 -0.784 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)CC[NH+](C)C ZINC001369836472 896346755 /nfs/dbraw/zinc/34/67/55/896346755.db2.gz HGLQWFGMGFOBJJ-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001370058406 896397031 /nfs/dbraw/zinc/39/70/31/896397031.db2.gz DLQWSLAEHQHLFT-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001370058406 896397051 /nfs/dbraw/zinc/39/70/51/896397051.db2.gz DLQWSLAEHQHLFT-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001370179535 896408122 /nfs/dbraw/zinc/40/81/22/896408122.db2.gz CHJZVKNGTDRGOQ-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001370219922 896410057 /nfs/dbraw/zinc/41/00/57/896410057.db2.gz CLUWGTGTELALRG-WCQYABFASA-N 2 1 296.415 -0.441 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001370567295 896444668 /nfs/dbraw/zinc/44/46/68/896444668.db2.gz XEYJUZBRTITBAD-HAQNSBGRSA-N 2 1 294.403 -0.108 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001370623384 896448799 /nfs/dbraw/zinc/44/87/99/896448799.db2.gz CFZKZDRHOBGPNC-FRRDWIJNSA-N 2 1 294.399 -0.404 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001370676707 896475395 /nfs/dbraw/zinc/47/53/95/896475395.db2.gz JQIFXXMFYXUROK-LPWJVIDDSA-N 2 1 296.415 -0.301 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001370780968 896499881 /nfs/dbraw/zinc/49/98/81/896499881.db2.gz IFJKMTGHTJGUMM-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001370780968 896499888 /nfs/dbraw/zinc/49/98/88/896499888.db2.gz IFJKMTGHTJGUMM-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001370780968 896499895 /nfs/dbraw/zinc/49/98/95/896499895.db2.gz IFJKMTGHTJGUMM-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001370780968 896499902 /nfs/dbraw/zinc/49/99/02/896499902.db2.gz IFJKMTGHTJGUMM-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001370807560 896505317 /nfs/dbraw/zinc/50/53/17/896505317.db2.gz LXIBGFLCPYSIHN-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001370807552 896506317 /nfs/dbraw/zinc/50/63/17/896506317.db2.gz LXIBGFLCPYSIHN-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001370964434 896526053 /nfs/dbraw/zinc/52/60/53/896526053.db2.gz ORSWIDICCMMRQY-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001370982007 896529486 /nfs/dbraw/zinc/52/94/86/896529486.db2.gz WBLMVOJXBBUIRA-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP 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 896533767 /nfs/dbraw/zinc/53/37/67/896533767.db2.gz PFLJOHIYNKJBBE-FHUSYTEZSA-N 2 1 294.399 -0.739 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001371352170 896597125 /nfs/dbraw/zinc/59/71/25/896597125.db2.gz VMNICBWODDTKLD-JTQLQIEISA-N 2 1 283.380 -0.854 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001371422625 896606673 /nfs/dbraw/zinc/60/66/73/896606673.db2.gz DRSZVHVZPHDJLE-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP Cc1nnc(C[NH2+][C@H](C)CNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001371417474 896607075 /nfs/dbraw/zinc/60/70/75/896607075.db2.gz JQDVXMQHODIFMB-SNVBAGLBSA-N 2 1 292.387 -0.197 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001371426268 896608483 /nfs/dbraw/zinc/60/84/83/896608483.db2.gz NTVJMUWDXGNWCN-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001371426268 896608492 /nfs/dbraw/zinc/60/84/92/896608492.db2.gz NTVJMUWDXGNWCN-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001371426276 896608660 /nfs/dbraw/zinc/60/86/60/896608660.db2.gz NTVJMUWDXGNWCN-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001371426276 896608666 /nfs/dbraw/zinc/60/86/66/896608666.db2.gz NTVJMUWDXGNWCN-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001371475378 896619047 /nfs/dbraw/zinc/61/90/47/896619047.db2.gz RZHZBBUOJKHAQJ-NWDGAFQWSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001371475378 896619052 /nfs/dbraw/zinc/61/90/52/896619052.db2.gz RZHZBBUOJKHAQJ-NWDGAFQWSA-N 2 1 294.403 -0.156 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001371511957 896626007 /nfs/dbraw/zinc/62/60/07/896626007.db2.gz BVBCKSRXKLGERM-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001371582797 896641872 /nfs/dbraw/zinc/64/18/72/896641872.db2.gz MCMSQRJZZQNGME-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001371876658 896672989 /nfs/dbraw/zinc/67/29/89/896672989.db2.gz IRYRARLSJDLQTD-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001372006071 896705952 /nfs/dbraw/zinc/70/59/52/896705952.db2.gz KKBXOLNWHMFWPW-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](C)[C@@H]1CCCN(C)C1=O)[NH+](C)C ZINC001372009595 896706823 /nfs/dbraw/zinc/70/68/23/896706823.db2.gz NNSBOXKSXYKFCN-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@@H]1CCCN(C)C1=O)[NH+](C)C ZINC001372009595 896706830 /nfs/dbraw/zinc/70/68/30/896706830.db2.gz NNSBOXKSXYKFCN-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCN(CC)C1=O ZINC001372194138 896745995 /nfs/dbraw/zinc/74/59/95/896745995.db2.gz ZMUQDTPWDGOVQV-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCN(CC)C1=O ZINC001372194138 896746003 /nfs/dbraw/zinc/74/60/03/896746003.db2.gz ZMUQDTPWDGOVQV-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@H]1CCN(CC)C1=O ZINC001372194138 896746012 /nfs/dbraw/zinc/74/60/12/896746012.db2.gz ZMUQDTPWDGOVQV-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@H]1CCN(CC)C1=O ZINC001372194138 896746023 /nfs/dbraw/zinc/74/60/23/896746023.db2.gz ZMUQDTPWDGOVQV-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001372291167 896767411 /nfs/dbraw/zinc/76/74/11/896767411.db2.gz ZJSVHYUVNTUSNK-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001372291167 896767422 /nfs/dbraw/zinc/76/74/22/896767422.db2.gz ZJSVHYUVNTUSNK-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001372291167 896767430 /nfs/dbraw/zinc/76/74/30/896767430.db2.gz ZJSVHYUVNTUSNK-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001372291167 896767435 /nfs/dbraw/zinc/76/74/35/896767435.db2.gz ZJSVHYUVNTUSNK-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](CC)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001372412946 896781291 /nfs/dbraw/zinc/78/12/91/896781291.db2.gz IUWOASUJRCETOD-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](CC)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001372412466 896784307 /nfs/dbraw/zinc/78/43/07/896784307.db2.gz IUWOASUJRCETOD-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001372563517 896810074 /nfs/dbraw/zinc/81/00/74/896810074.db2.gz GGXUSQZUXRUPGB-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001372662555 896828003 /nfs/dbraw/zinc/82/80/03/896828003.db2.gz BWKUDVWZOIVGFF-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001372648311 896831647 /nfs/dbraw/zinc/83/16/47/896831647.db2.gz KCTCPSUMHRITPZ-WDEREUQCSA-N 2 1 293.371 -0.475 20 0 CBADMP CNC(=O)[C@H](C)N1CC[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001372648311 896831661 /nfs/dbraw/zinc/83/16/61/896831661.db2.gz KCTCPSUMHRITPZ-WDEREUQCSA-N 2 1 293.371 -0.475 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001372682949 896835408 /nfs/dbraw/zinc/83/54/08/896835408.db2.gz QKDYTPUDKOVHQM-LLVKDONJSA-N 2 1 270.377 -0.750 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001372682949 896835422 /nfs/dbraw/zinc/83/54/22/896835422.db2.gz QKDYTPUDKOVHQM-LLVKDONJSA-N 2 1 270.377 -0.750 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001372682949 896835437 /nfs/dbraw/zinc/83/54/37/896835437.db2.gz QKDYTPUDKOVHQM-LLVKDONJSA-N 2 1 270.377 -0.750 20 0 CBADMP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001372942620 896906743 /nfs/dbraw/zinc/90/67/43/896906743.db2.gz GMANDKMGEZWCRW-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(N)=O ZINC001372946261 896914137 /nfs/dbraw/zinc/91/41/37/896914137.db2.gz MCBAMLRDFIJLAF-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[N@H+](CCCO)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001373280563 896966445 /nfs/dbraw/zinc/96/64/45/896966445.db2.gz QVURAUNGEINKSH-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP C[N@@H+](CCCO)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001373280563 896966459 /nfs/dbraw/zinc/96/64/59/896966459.db2.gz QVURAUNGEINKSH-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCCO)C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001373280563 896966471 /nfs/dbraw/zinc/96/64/71/896966471.db2.gz QVURAUNGEINKSH-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCCO)C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001373280563 896966484 /nfs/dbraw/zinc/96/64/84/896966484.db2.gz QVURAUNGEINKSH-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP C[N@H+](CCCO)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001373280567 896967629 /nfs/dbraw/zinc/96/76/29/896967629.db2.gz QVURAUNGEINKSH-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP C[N@@H+](CCCO)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001373280567 896967634 /nfs/dbraw/zinc/96/76/34/896967634.db2.gz QVURAUNGEINKSH-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCCO)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001373280567 896967638 /nfs/dbraw/zinc/96/76/38/896967638.db2.gz QVURAUNGEINKSH-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCCO)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001373280567 896967645 /nfs/dbraw/zinc/96/76/45/896967645.db2.gz QVURAUNGEINKSH-ZIAGYGMSSA-N 2 1 299.415 -0.520 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001373311824 896972652 /nfs/dbraw/zinc/97/26/52/896972652.db2.gz KDLRQWBNJQLSSS-RYUDHWBXSA-N 2 1 282.388 -0.796 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001373311824 896972662 /nfs/dbraw/zinc/97/26/62/896972662.db2.gz KDLRQWBNJQLSSS-RYUDHWBXSA-N 2 1 282.388 -0.796 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001373311824 896972667 /nfs/dbraw/zinc/97/26/67/896972667.db2.gz KDLRQWBNJQLSSS-RYUDHWBXSA-N 2 1 282.388 -0.796 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001373513464 897038627 /nfs/dbraw/zinc/03/86/27/897038627.db2.gz JSZLGVCHGXYYCZ-STQMWFEESA-N 2 1 298.431 -0.116 20 0 CBADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)COC)[NH+](C)C ZINC001373577769 897059492 /nfs/dbraw/zinc/05/94/92/897059492.db2.gz HXWSTEZJIUOUBU-XUXIUFHCSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)COC)[NH+](C)C ZINC001373577769 897059505 /nfs/dbraw/zinc/05/95/05/897059505.db2.gz HXWSTEZJIUOUBU-XUXIUFHCSA-N 2 1 299.415 -0.381 20 0 CBADMP C[N@H+](CC(=O)N[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001373629887 897082147 /nfs/dbraw/zinc/08/21/47/897082147.db2.gz BTAVQVGIEYZBGB-YPMHNXCESA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001373629887 897082157 /nfs/dbraw/zinc/08/21/57/897082157.db2.gz BTAVQVGIEYZBGB-YPMHNXCESA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001373629887 897082166 /nfs/dbraw/zinc/08/21/66/897082166.db2.gz BTAVQVGIEYZBGB-YPMHNXCESA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001373629887 897082180 /nfs/dbraw/zinc/08/21/80/897082180.db2.gz BTAVQVGIEYZBGB-YPMHNXCESA-N 2 1 294.399 -0.450 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001374111094 897172546 /nfs/dbraw/zinc/17/25/46/897172546.db2.gz WMKDLETUQHJKNJ-LLVKDONJSA-N 2 1 295.387 -0.378 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)CC1 ZINC001374135575 897179845 /nfs/dbraw/zinc/17/98/45/897179845.db2.gz YKVNZGFLEZJPLF-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+](C)CC1(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)CC1 ZINC001374135575 897179854 /nfs/dbraw/zinc/17/98/54/897179854.db2.gz YKVNZGFLEZJPLF-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374281476 897201139 /nfs/dbraw/zinc/20/11/39/897201139.db2.gz OHPVHAPKOMSJDE-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374282454 897206062 /nfs/dbraw/zinc/20/60/62/897206062.db2.gz PTTYIRZMQZDGEQ-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)[C@H](C)C(=O)NC ZINC001374548214 897255018 /nfs/dbraw/zinc/25/50/18/897255018.db2.gz RFSFZROHMBEWIP-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)[C@H](C)C(=O)NC ZINC001374548214 897255032 /nfs/dbraw/zinc/25/50/32/897255032.db2.gz RFSFZROHMBEWIP-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC ZINC001374548214 897255046 /nfs/dbraw/zinc/25/50/46/897255046.db2.gz RFSFZROHMBEWIP-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC ZINC001374548214 897255059 /nfs/dbraw/zinc/25/50/59/897255059.db2.gz RFSFZROHMBEWIP-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)CC(N)=O ZINC001374557802 897260562 /nfs/dbraw/zinc/26/05/62/897260562.db2.gz QBIKZAAORKZOSL-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cncs1 ZINC001374588967 897289063 /nfs/dbraw/zinc/28/90/63/897289063.db2.gz GRJNMCRRKGTWNT-JQWIXIFHSA-N 2 1 298.412 -0.196 20 0 CBADMP CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001374637183 897322206 /nfs/dbraw/zinc/32/22/06/897322206.db2.gz NTOJJECCGIASOY-AAEUAGOBSA-N 2 1 280.372 -0.159 20 0 CBADMP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)co1 ZINC001374639972 897323201 /nfs/dbraw/zinc/32/32/01/897323201.db2.gz DUUVOFIQESVLPK-GFCCVEGCSA-N 2 1 284.360 -0.499 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC(NC(=O)C[NH+](C)C(C)C)C1 ZINC001374668616 897336416 /nfs/dbraw/zinc/33/64/16/897336416.db2.gz KYODZWLBCYEILS-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001374668616 897336425 /nfs/dbraw/zinc/33/64/25/897336425.db2.gz KYODZWLBCYEILS-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001374668616 897336440 /nfs/dbraw/zinc/33/64/40/897336440.db2.gz KYODZWLBCYEILS-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374755147 897374784 /nfs/dbraw/zinc/37/47/84/897374784.db2.gz GBIFHTXOBIDQJS-GMTAPVOTSA-N 2 1 295.391 -0.855 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374755147 897374795 /nfs/dbraw/zinc/37/47/95/897374795.db2.gz GBIFHTXOBIDQJS-GMTAPVOTSA-N 2 1 295.391 -0.855 20 0 CBADMP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001374772316 897384523 /nfs/dbraw/zinc/38/45/23/897384523.db2.gz QLSADQHGWJLBBB-ZYHUDNBSSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374811304 897400883 /nfs/dbraw/zinc/40/08/83/897400883.db2.gz UHQYKRKMHNWMST-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001374819929 897403018 /nfs/dbraw/zinc/40/30/18/897403018.db2.gz HUKMFBCQHZGJQX-SNVBAGLBSA-N 2 1 281.360 -0.449 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374905238 897426498 /nfs/dbraw/zinc/42/64/98/897426498.db2.gz POZPLWCPOFIPAP-AAEUAGOBSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001374905238 897426514 /nfs/dbraw/zinc/42/65/14/897426514.db2.gz POZPLWCPOFIPAP-AAEUAGOBSA-N 2 1 294.403 -0.106 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001374899496 897427830 /nfs/dbraw/zinc/42/78/30/897427830.db2.gz OUOWVWHIOXMHQW-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001374950796 897437023 /nfs/dbraw/zinc/43/70/23/897437023.db2.gz IROGMQUWZCHFGS-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374976133 897445901 /nfs/dbraw/zinc/44/59/01/897445901.db2.gz DUJWJUYEBPJRNJ-WDEREUQCSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374976133 897445905 /nfs/dbraw/zinc/44/59/05/897445905.db2.gz DUJWJUYEBPJRNJ-WDEREUQCSA-N 2 1 280.376 -0.639 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnnn1C ZINC001374981746 897446927 /nfs/dbraw/zinc/44/69/27/897446927.db2.gz JYFBCXRVZFNAFN-WDEREUQCSA-N 2 1 297.407 -0.294 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnnn1C ZINC001374981746 897446933 /nfs/dbraw/zinc/44/69/33/897446933.db2.gz JYFBCXRVZFNAFN-WDEREUQCSA-N 2 1 297.407 -0.294 20 0 CBADMP CC[C@H]([NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001374976481 897447687 /nfs/dbraw/zinc/44/76/87/897447687.db2.gz IJRZLQPEPFHQIN-ONGXEEELSA-N 2 1 281.360 -0.450 20 0 CBADMP CC(C)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001375099044 897475885 /nfs/dbraw/zinc/47/58/85/897475885.db2.gz KEQOWMGKVIOCNS-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CC(C)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001375099044 897475891 /nfs/dbraw/zinc/47/58/91/897475891.db2.gz KEQOWMGKVIOCNS-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001375110133 897479764 /nfs/dbraw/zinc/47/97/64/897479764.db2.gz CBERPHZDUATTMI-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001375110133 897479773 /nfs/dbraw/zinc/47/97/73/897479773.db2.gz CBERPHZDUATTMI-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H]1CCN(C)C1=O ZINC001375144658 897482907 /nfs/dbraw/zinc/48/29/07/897482907.db2.gz BPAAXLUTBPZLOR-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC001375144658 897482919 /nfs/dbraw/zinc/48/29/19/897482919.db2.gz BPAAXLUTBPZLOR-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001375144658 897482930 /nfs/dbraw/zinc/48/29/30/897482930.db2.gz BPAAXLUTBPZLOR-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001375131335 897483392 /nfs/dbraw/zinc/48/33/92/897483392.db2.gz CIIHVRDSBAUGEI-VXGBXAGGSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001375131335 897483397 /nfs/dbraw/zinc/48/33/97/897483397.db2.gz CIIHVRDSBAUGEI-VXGBXAGGSA-N 2 1 294.399 -0.593 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC(=O)N(C)C ZINC001375145560 897484179 /nfs/dbraw/zinc/48/41/79/897484179.db2.gz CNSPLMJAQVFDCH-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC(=O)N(C)C ZINC001375145560 897484189 /nfs/dbraw/zinc/48/41/89/897484189.db2.gz CNSPLMJAQVFDCH-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001375145560 897484197 /nfs/dbraw/zinc/48/41/97/897484197.db2.gz CNSPLMJAQVFDCH-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001375145560 897484209 /nfs/dbraw/zinc/48/42/09/897484209.db2.gz CNSPLMJAQVFDCH-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001375153376 897487537 /nfs/dbraw/zinc/48/75/37/897487537.db2.gz DYHCCAAUCCRJAB-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001375153376 897487543 /nfs/dbraw/zinc/48/75/43/897487543.db2.gz DYHCCAAUCCRJAB-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001375153376 897487552 /nfs/dbraw/zinc/48/75/52/897487552.db2.gz DYHCCAAUCCRJAB-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001375153376 897487561 /nfs/dbraw/zinc/48/75/61/897487561.db2.gz DYHCCAAUCCRJAB-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001375153380 897487903 /nfs/dbraw/zinc/48/79/03/897487903.db2.gz DYHCCAAUCCRJAB-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001375153380 897487914 /nfs/dbraw/zinc/48/79/14/897487914.db2.gz DYHCCAAUCCRJAB-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001375153380 897487928 /nfs/dbraw/zinc/48/79/28/897487928.db2.gz DYHCCAAUCCRJAB-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001375153380 897487935 /nfs/dbraw/zinc/48/79/35/897487935.db2.gz DYHCCAAUCCRJAB-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001375429599 897543374 /nfs/dbraw/zinc/54/33/74/897543374.db2.gz QTLLNLMJZIBXLI-UHFFFAOYSA-N 2 1 282.388 -0.545 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001375499791 897554886 /nfs/dbraw/zinc/55/48/86/897554886.db2.gz QWKXCPHZDIGZMC-RFQIPJPRSA-N 2 1 299.415 -0.428 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001375637767 897578212 /nfs/dbraw/zinc/57/82/12/897578212.db2.gz XEYFHDGCUSDPMD-KGLIPLIRSA-N 2 1 299.415 -0.642 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001375670826 897586678 /nfs/dbraw/zinc/58/66/78/897586678.db2.gz OTKFULULGQOLRK-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001375670826 897586690 /nfs/dbraw/zinc/58/66/90/897586690.db2.gz OTKFULULGQOLRK-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001375670826 897586709 /nfs/dbraw/zinc/58/67/09/897586709.db2.gz OTKFULULGQOLRK-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001375670826 897586726 /nfs/dbraw/zinc/58/67/26/897586726.db2.gz OTKFULULGQOLRK-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)[C@@H]1C ZINC001375696159 897591077 /nfs/dbraw/zinc/59/10/77/897591077.db2.gz IYYMBZVUFWBFKR-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)[C@@H]1C ZINC001375696159 897591090 /nfs/dbraw/zinc/59/10/90/897591090.db2.gz IYYMBZVUFWBFKR-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)[C@@H]1C ZINC001375696159 897591100 /nfs/dbraw/zinc/59/11/00/897591100.db2.gz IYYMBZVUFWBFKR-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)[C@@H]1C ZINC001375696159 897591108 /nfs/dbraw/zinc/59/11/08/897591108.db2.gz IYYMBZVUFWBFKR-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001375696134 897591860 /nfs/dbraw/zinc/59/18/60/897591860.db2.gz IUARFCICVFCRLR-MBNYWOFBSA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001375696134 897591872 /nfs/dbraw/zinc/59/18/72/897591872.db2.gz IUARFCICVFCRLR-MBNYWOFBSA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001375763591 897603446 /nfs/dbraw/zinc/60/34/46/897603446.db2.gz SXJHJUYTWBNZDZ-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001375769274 897605857 /nfs/dbraw/zinc/60/58/57/897605857.db2.gz XPRSKYWHJNPCKI-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CC(=O)NCC1([NH2+]CCO)CCOCC1)C1CCC1 ZINC001375971516 897622135 /nfs/dbraw/zinc/62/21/35/897622135.db2.gz DMGOYSQOPFQAAM-UHFFFAOYSA-N 2 1 299.415 -0.282 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCCO)C1 ZINC001376043802 897640863 /nfs/dbraw/zinc/64/08/63/897640863.db2.gz BGQZJRQAVZBJMF-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001376043802 897640869 /nfs/dbraw/zinc/64/08/69/897640869.db2.gz BGQZJRQAVZBJMF-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001376043802 897640874 /nfs/dbraw/zinc/64/08/74/897640874.db2.gz BGQZJRQAVZBJMF-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001376074141 897645726 /nfs/dbraw/zinc/64/57/26/897645726.db2.gz AWUQQBXRCWUSIQ-ZDUSSCGKSA-N 2 1 275.368 -0.149 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001376097495 897653932 /nfs/dbraw/zinc/65/39/32/897653932.db2.gz URNHMVGCVAYPJX-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001376097495 897653937 /nfs/dbraw/zinc/65/39/37/897653937.db2.gz URNHMVGCVAYPJX-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376097495 897653944 /nfs/dbraw/zinc/65/39/44/897653944.db2.gz URNHMVGCVAYPJX-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376135868 897667062 /nfs/dbraw/zinc/66/70/62/897667062.db2.gz RWRGCVBBHJJRFI-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP CCCNC(=O)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376155955 897676562 /nfs/dbraw/zinc/67/65/62/897676562.db2.gz QYJDJZDGGFNXLU-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC001376154923 897677365 /nfs/dbraw/zinc/67/73/65/897677365.db2.gz QTYUWRSFBDIJIH-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[NH+](C)CCCC(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001376232153 897693427 /nfs/dbraw/zinc/69/34/27/897693427.db2.gz MDOCAESQIKDCPA-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]([NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001376276677 897702705 /nfs/dbraw/zinc/70/27/05/897702705.db2.gz KHKBJYAZCWIBEV-JQWIXIFHSA-N 2 1 284.404 -0.315 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001376312336 897710235 /nfs/dbraw/zinc/71/02/35/897710235.db2.gz DOFFDFCADHOQOI-XJFOESAGSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001376337642 897713977 /nfs/dbraw/zinc/71/39/77/897713977.db2.gz PALVTUNOKCDLRO-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001376337642 897713988 /nfs/dbraw/zinc/71/39/88/897713988.db2.gz PALVTUNOKCDLRO-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001376377997 897724397 /nfs/dbraw/zinc/72/43/97/897724397.db2.gz UHANCAGGYSLMJB-XDQVBPFNSA-N 2 1 299.415 -0.285 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001376418731 897729088 /nfs/dbraw/zinc/72/90/88/897729088.db2.gz RDQJEBWOSXLUIB-RWMBFGLXSA-N 2 1 296.415 -0.408 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001376418731 897729102 /nfs/dbraw/zinc/72/91/02/897729102.db2.gz RDQJEBWOSXLUIB-RWMBFGLXSA-N 2 1 296.415 -0.408 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001376418731 897729118 /nfs/dbraw/zinc/72/91/18/897729118.db2.gz RDQJEBWOSXLUIB-RWMBFGLXSA-N 2 1 296.415 -0.408 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001376491886 897756310 /nfs/dbraw/zinc/75/63/10/897756310.db2.gz NSCGDHZJLBMEQO-SDDRHHMPSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]C[C@H](C)O ZINC001376750703 897830965 /nfs/dbraw/zinc/83/09/65/897830965.db2.gz FWVOTEPNDJPVLY-ZJUUUORDSA-N 2 1 284.360 -0.175 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001376743795 897832027 /nfs/dbraw/zinc/83/20/27/897832027.db2.gz VAMFYPUQXGGUAD-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001376852406 897871222 /nfs/dbraw/zinc/87/12/22/897871222.db2.gz FQEJYIXBXOQMLV-MNOVXSKESA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001376852406 897871229 /nfs/dbraw/zinc/87/12/29/897871229.db2.gz FQEJYIXBXOQMLV-MNOVXSKESA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001376852408 897872051 /nfs/dbraw/zinc/87/20/51/897872051.db2.gz FQEJYIXBXOQMLV-QWRGUYRKSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001376852408 897872064 /nfs/dbraw/zinc/87/20/64/897872064.db2.gz FQEJYIXBXOQMLV-QWRGUYRKSA-N 2 1 295.391 -0.854 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001376865244 897876924 /nfs/dbraw/zinc/87/69/24/897876924.db2.gz JTEDXWJAJSDBHC-SNVBAGLBSA-N 2 1 281.360 -0.578 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001376871158 897877365 /nfs/dbraw/zinc/87/73/65/897877365.db2.gz YSPVBQXDENGPKX-LLVKDONJSA-N 2 1 295.387 -0.190 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376940271 897897273 /nfs/dbraw/zinc/89/72/73/897897273.db2.gz MCMSQRJZZQNGME-MELADBBJSA-N 2 1 299.415 -0.474 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001377108249 897931810 /nfs/dbraw/zinc/93/18/10/897931810.db2.gz LGHPFKJSGJSYMI-CMPLNLGQSA-N 2 1 293.371 -0.436 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001377114391 897932400 /nfs/dbraw/zinc/93/24/00/897932400.db2.gz VTTSJCMWXWLERS-NEPJUHHUSA-N 2 1 286.420 -0.055 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001377126753 897937924 /nfs/dbraw/zinc/93/79/24/897937924.db2.gz DTGIMTXETGQHOB-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001377126753 897937931 /nfs/dbraw/zinc/93/79/31/897937931.db2.gz DTGIMTXETGQHOB-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001377126753 897937942 /nfs/dbraw/zinc/93/79/42/897937942.db2.gz DTGIMTXETGQHOB-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCCNC1=O ZINC001377231624 897976285 /nfs/dbraw/zinc/97/62/85/897976285.db2.gz UJXVKXMAGSTSSK-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCCNC1=O ZINC001377231624 897976289 /nfs/dbraw/zinc/97/62/89/897976289.db2.gz UJXVKXMAGSTSSK-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CCCNC1=O ZINC001377231624 897976293 /nfs/dbraw/zinc/97/62/93/897976293.db2.gz UJXVKXMAGSTSSK-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CCCNC1=O ZINC001377231624 897976305 /nfs/dbraw/zinc/97/63/05/897976305.db2.gz UJXVKXMAGSTSSK-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CO[C@@H](C)C[N@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001377235391 897980479 /nfs/dbraw/zinc/98/04/79/897980479.db2.gz MFUZXMRVCZTOII-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CO[C@@H](C)C[N@@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001377235391 897980486 /nfs/dbraw/zinc/98/04/86/897980486.db2.gz MFUZXMRVCZTOII-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001377273865 897994768 /nfs/dbraw/zinc/99/47/68/897994768.db2.gz KWDRWMQRFBYGEO-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)C(=O)NC ZINC001377314693 898009891 /nfs/dbraw/zinc/00/98/91/898009891.db2.gz UUZSCNFHPDMCGO-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)C(=O)NC ZINC001377314693 898009898 /nfs/dbraw/zinc/00/98/98/898009898.db2.gz UUZSCNFHPDMCGO-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](C)C(=O)NC ZINC001377314693 898009908 /nfs/dbraw/zinc/00/99/08/898009908.db2.gz UUZSCNFHPDMCGO-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](C)C(=O)NC ZINC001377314693 898009921 /nfs/dbraw/zinc/00/99/21/898009921.db2.gz UUZSCNFHPDMCGO-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001377470610 898057500 /nfs/dbraw/zinc/05/75/00/898057500.db2.gz IVEKTGGAPVOYMI-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001377543064 898079624 /nfs/dbraw/zinc/07/96/24/898079624.db2.gz CWSMQBWCZIKXNB-QWHCGFSZSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001377543064 898079636 /nfs/dbraw/zinc/07/96/36/898079636.db2.gz CWSMQBWCZIKXNB-QWHCGFSZSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001377543064 898079648 /nfs/dbraw/zinc/07/96/48/898079648.db2.gz CWSMQBWCZIKXNB-QWHCGFSZSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001377543064 898079658 /nfs/dbraw/zinc/07/96/58/898079658.db2.gz CWSMQBWCZIKXNB-QWHCGFSZSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001377559716 898085054 /nfs/dbraw/zinc/08/50/54/898085054.db2.gz WAXPRZBCBXXCCV-NSHDSACASA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001377559716 898085067 /nfs/dbraw/zinc/08/50/67/898085067.db2.gz WAXPRZBCBXXCCV-NSHDSACASA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+][C@H]2CCNC2=O)CC[N@H+]1C ZINC001377577058 898093702 /nfs/dbraw/zinc/09/37/02/898093702.db2.gz CXATWVQZGGXYNU-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001377578312 898095186 /nfs/dbraw/zinc/09/51/86/898095186.db2.gz GACQEIOCKMFCEX-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001377705614 898117721 /nfs/dbraw/zinc/11/77/21/898117721.db2.gz ZJNOXABKAWLGHB-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001377715542 898121812 /nfs/dbraw/zinc/12/18/12/898121812.db2.gz AIKNBGCCRMWKJN-VXGBXAGGSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001377715542 898121818 /nfs/dbraw/zinc/12/18/18/898121818.db2.gz AIKNBGCCRMWKJN-VXGBXAGGSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001377715542 898121824 /nfs/dbraw/zinc/12/18/24/898121824.db2.gz AIKNBGCCRMWKJN-VXGBXAGGSA-N 2 1 282.388 -0.748 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001377846323 898146669 /nfs/dbraw/zinc/14/66/69/898146669.db2.gz GPLASANYOMURPE-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001377846323 898146673 /nfs/dbraw/zinc/14/66/73/898146673.db2.gz GPLASANYOMURPE-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001377855983 898148037 /nfs/dbraw/zinc/14/80/37/898148037.db2.gz XEEGMYDANNYLFW-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001377855983 898148044 /nfs/dbraw/zinc/14/80/44/898148044.db2.gz XEEGMYDANNYLFW-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001377866481 898152281 /nfs/dbraw/zinc/15/22/81/898152281.db2.gz JCSONIABPDSKBZ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001377866481 898152284 /nfs/dbraw/zinc/15/22/84/898152284.db2.gz JCSONIABPDSKBZ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377866481 898152289 /nfs/dbraw/zinc/15/22/89/898152289.db2.gz JCSONIABPDSKBZ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCN(CC)C(=O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001377994893 898193549 /nfs/dbraw/zinc/19/35/49/898193549.db2.gz VZLQXSQSILQAPF-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC(=O)N(C)C ZINC001378020074 898204680 /nfs/dbraw/zinc/20/46/80/898204680.db2.gz KULAVGAYGVQZLY-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)CC(=O)N(C)C ZINC001378020074 898204695 /nfs/dbraw/zinc/20/46/95/898204695.db2.gz KULAVGAYGVQZLY-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)CC(=O)N(C)C ZINC001378020074 898204712 /nfs/dbraw/zinc/20/47/12/898204712.db2.gz KULAVGAYGVQZLY-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)CC(=O)N(C)C ZINC001378020074 898204724 /nfs/dbraw/zinc/20/47/24/898204724.db2.gz KULAVGAYGVQZLY-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)N(C)CC(=O)N1CCC1 ZINC001378108793 898239219 /nfs/dbraw/zinc/23/92/19/898239219.db2.gz BIWHTKAGEXITDM-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CC(=O)N1CCC1 ZINC001378108793 898239246 /nfs/dbraw/zinc/23/92/46/898239246.db2.gz BIWHTKAGEXITDM-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CC(=O)N1CCC1 ZINC001378108793 898239261 /nfs/dbraw/zinc/23/92/61/898239261.db2.gz BIWHTKAGEXITDM-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CC(=O)N1CCC1 ZINC001378108793 898239278 /nfs/dbraw/zinc/23/92/78/898239278.db2.gz BIWHTKAGEXITDM-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001378116386 898239760 /nfs/dbraw/zinc/23/97/60/898239760.db2.gz SAKOAPNQWXAIOI-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001378116386 898239776 /nfs/dbraw/zinc/23/97/76/898239776.db2.gz SAKOAPNQWXAIOI-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378167950 898258843 /nfs/dbraw/zinc/25/88/43/898258843.db2.gz UQSHSCVRIDKTHG-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378167950 898258861 /nfs/dbraw/zinc/25/88/61/898258861.db2.gz UQSHSCVRIDKTHG-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001378181044 898263666 /nfs/dbraw/zinc/26/36/66/898263666.db2.gz FRIXZJCNRWPNHM-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001378181044 898263678 /nfs/dbraw/zinc/26/36/78/898263678.db2.gz FRIXZJCNRWPNHM-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001378181044 898263692 /nfs/dbraw/zinc/26/36/92/898263692.db2.gz FRIXZJCNRWPNHM-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001378181044 898263702 /nfs/dbraw/zinc/26/37/02/898263702.db2.gz FRIXZJCNRWPNHM-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)[C@H]1CCNC1=O ZINC001378218373 898279942 /nfs/dbraw/zinc/27/99/42/898279942.db2.gz FYKFSLWETQVLQZ-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001378221763 898282654 /nfs/dbraw/zinc/28/26/54/898282654.db2.gz RGXCPATWOFMZNL-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001378221763 898282667 /nfs/dbraw/zinc/28/26/67/898282667.db2.gz RGXCPATWOFMZNL-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378360601 898326074 /nfs/dbraw/zinc/32/60/74/898326074.db2.gz YDBHVJNKEYSLJK-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@@H+](CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001378395883 898328988 /nfs/dbraw/zinc/32/89/88/898328988.db2.gz LEXBAKVXAOXWIO-OAHLLOKOSA-N 2 1 296.415 -0.170 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378517010 898342472 /nfs/dbraw/zinc/34/24/72/898342472.db2.gz LPTVIQNMZWCACM-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC(=O)N2CCC2)C1 ZINC001378565129 898357344 /nfs/dbraw/zinc/35/73/44/898357344.db2.gz VTUPQVVATYWIGB-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378646149 898376242 /nfs/dbraw/zinc/37/62/42/898376242.db2.gz MWPKZHSLJUBSLZ-NEPJUHHUSA-N 2 1 284.404 -0.584 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378858062 898423534 /nfs/dbraw/zinc/42/35/34/898423534.db2.gz ZVAYMDAZUJSNQZ-VXGBXAGGSA-N 2 1 284.404 -0.537 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001378971449 898437074 /nfs/dbraw/zinc/43/70/74/898437074.db2.gz WBEGQKUAUOIEOE-RYUDHWBXSA-N 2 1 284.404 -0.443 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001378965801 898437766 /nfs/dbraw/zinc/43/77/66/898437766.db2.gz NYBLDQFMTNGMKX-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001379115163 898470867 /nfs/dbraw/zinc/47/08/67/898470867.db2.gz CGNRWLJESWLTNC-OLZOCXBDSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O)[NH+](C)C ZINC001379115163 898470872 /nfs/dbraw/zinc/47/08/72/898470872.db2.gz CGNRWLJESWLTNC-OLZOCXBDSA-N 2 1 298.431 -0.149 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CC(N)=O)C1 ZINC001379147241 898474133 /nfs/dbraw/zinc/47/41/33/898474133.db2.gz HPDRFYCSXBIMNU-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(N)=O)C1 ZINC001379147241 898474143 /nfs/dbraw/zinc/47/41/43/898474143.db2.gz HPDRFYCSXBIMNU-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(N)=O)C1 ZINC001379147241 898474150 /nfs/dbraw/zinc/47/41/50/898474150.db2.gz HPDRFYCSXBIMNU-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001379132094 898474567 /nfs/dbraw/zinc/47/45/67/898474567.db2.gz NUERQIUGRCQYKP-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001379132094 898474571 /nfs/dbraw/zinc/47/45/71/898474571.db2.gz NUERQIUGRCQYKP-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001379199112 898499866 /nfs/dbraw/zinc/49/98/66/898499866.db2.gz PODDTMMWVHIQPT-NWDGAFQWSA-N 2 1 284.404 -0.395 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(=O)NC ZINC001379285702 898534926 /nfs/dbraw/zinc/53/49/26/898534926.db2.gz QCDYDTMXEQYAID-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001379285918 898536276 /nfs/dbraw/zinc/53/62/76/898536276.db2.gz NSXOHESBRNSZGP-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[N@@H+](C)C(C)C ZINC001379326973 898552138 /nfs/dbraw/zinc/55/21/38/898552138.db2.gz KGWJOHWCPZLVFG-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001379350878 898569312 /nfs/dbraw/zinc/56/93/12/898569312.db2.gz XKWZMLHLFKARDN-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001379382904 898592556 /nfs/dbraw/zinc/59/25/56/898592556.db2.gz KDPYKSSQEJFVDC-GHMZBOCLSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379447261 898618784 /nfs/dbraw/zinc/61/87/84/898618784.db2.gz GCFREBSDZQGEID-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP CCn1ncc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001379489282 898634480 /nfs/dbraw/zinc/63/44/80/898634480.db2.gz FIYOKIVOHJIWMU-AAEUAGOBSA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1ncc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001379489282 898634483 /nfs/dbraw/zinc/63/44/83/898634483.db2.gz FIYOKIVOHJIWMU-AAEUAGOBSA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1ncc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001379489284 898634695 /nfs/dbraw/zinc/63/46/95/898634695.db2.gz FIYOKIVOHJIWMU-WCQYABFASA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1ncc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001379489284 898634704 /nfs/dbraw/zinc/63/47/04/898634704.db2.gz FIYOKIVOHJIWMU-WCQYABFASA-N 2 1 294.403 -0.014 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379512710 898651549 /nfs/dbraw/zinc/65/15/49/898651549.db2.gz BOXZDDPAUQFMCD-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001379564247 898667832 /nfs/dbraw/zinc/66/78/32/898667832.db2.gz JJAHJEGOKDCIRU-NSHDSACASA-N 2 1 295.387 -0.188 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001379599856 898677021 /nfs/dbraw/zinc/67/70/21/898677021.db2.gz NXAFJGWSOBJPIJ-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccon1)[NH+](C)C ZINC001379802086 898731223 /nfs/dbraw/zinc/73/12/23/898731223.db2.gz MWGCYMHHGXXSIK-QWHCGFSZSA-N 2 1 298.387 -0.076 20 0 CBADMP CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379818657 898739151 /nfs/dbraw/zinc/73/91/51/898739151.db2.gz ARKCPONXJQZVNH-CHWSQXEVSA-N 2 1 296.371 -0.322 20 0 CBADMP CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)[C@H]1CCC[N@H+]1C ZINC001379818657 898739158 /nfs/dbraw/zinc/73/91/58/898739158.db2.gz ARKCPONXJQZVNH-CHWSQXEVSA-N 2 1 296.371 -0.322 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCn2cncn2)CC1 ZINC001380067580 898800239 /nfs/dbraw/zinc/80/02/39/898800239.db2.gz OZRWCLQCNKQDTE-LBPRGKRZSA-N 2 1 292.387 -0.389 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)N2CCC2)CC1 ZINC001380067086 898801225 /nfs/dbraw/zinc/80/12/25/898801225.db2.gz LADUJBKPQMFWQD-GFCCVEGCSA-N 2 1 294.399 -0.449 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001380244412 898837391 /nfs/dbraw/zinc/83/73/91/898837391.db2.gz YQTKVRMBHHIYRG-ZDUSSCGKSA-N 2 1 287.404 -0.522 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380352753 898863272 /nfs/dbraw/zinc/86/32/72/898863272.db2.gz GXDCTJHAGGFMGS-CYBMUJFWSA-N 2 1 270.377 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380352753 898863288 /nfs/dbraw/zinc/86/32/88/898863288.db2.gz GXDCTJHAGGFMGS-CYBMUJFWSA-N 2 1 270.377 -0.735 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](CC(N)=O)C1 ZINC001380469634 898876900 /nfs/dbraw/zinc/87/69/00/898876900.db2.gz IQVXDXXPUDDZKZ-AWEZNQCLSA-N 2 1 284.404 -0.358 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@@H+](CC(N)=O)C1 ZINC001380469634 898876909 /nfs/dbraw/zinc/87/69/09/898876909.db2.gz IQVXDXXPUDDZKZ-AWEZNQCLSA-N 2 1 284.404 -0.358 20 0 CBADMP CC(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001380526360 898887418 /nfs/dbraw/zinc/88/74/18/898887418.db2.gz KKKWAHDUZYXEIL-ZFWWWQNUSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001380526360 898887426 /nfs/dbraw/zinc/88/74/26/898887426.db2.gz KKKWAHDUZYXEIL-ZFWWWQNUSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001380526360 898887436 /nfs/dbraw/zinc/88/74/36/898887436.db2.gz KKKWAHDUZYXEIL-ZFWWWQNUSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001380526360 898887445 /nfs/dbraw/zinc/88/74/45/898887445.db2.gz KKKWAHDUZYXEIL-ZFWWWQNUSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)C[NH+](CC3CCC3)C2)C1 ZINC001380643594 898927623 /nfs/dbraw/zinc/92/76/23/898927623.db2.gz TWZPCWSUDABSSU-CYBMUJFWSA-N 2 1 281.400 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2(O)C[NH+](CC3CCC3)C2)C1 ZINC001380643594 898927630 /nfs/dbraw/zinc/92/76/30/898927630.db2.gz TWZPCWSUDABSSU-CYBMUJFWSA-N 2 1 281.400 -0.099 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001380656905 898930941 /nfs/dbraw/zinc/93/09/41/898930941.db2.gz GMRUKNOQIVEJEL-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001380703533 898938294 /nfs/dbraw/zinc/93/82/94/898938294.db2.gz KLFRYECOKXPMIC-UPJWGTAASA-N 2 1 296.415 -0.408 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001380703533 898938305 /nfs/dbraw/zinc/93/83/05/898938305.db2.gz KLFRYECOKXPMIC-UPJWGTAASA-N 2 1 296.415 -0.408 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001380703533 898938313 /nfs/dbraw/zinc/93/83/13/898938313.db2.gz KLFRYECOKXPMIC-UPJWGTAASA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)N(C)C(=O)CC[NH+](C)C ZINC001380846227 898958210 /nfs/dbraw/zinc/95/82/10/898958210.db2.gz FNDHWTOVJRBFFF-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(CCC[N@@H+](C)CC(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001380959264 898977060 /nfs/dbraw/zinc/97/70/60/898977060.db2.gz ZCHUJNFLLLRMQW-ZDUSSCGKSA-N 2 1 296.415 -0.406 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001380950643 898978076 /nfs/dbraw/zinc/97/80/76/898978076.db2.gz WKCXNRSMVUACEC-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001380950643 898978080 /nfs/dbraw/zinc/97/80/80/898978080.db2.gz WKCXNRSMVUACEC-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001380950643 898978088 /nfs/dbraw/zinc/97/80/88/898978088.db2.gz WKCXNRSMVUACEC-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(N)=O ZINC001381173542 899005942 /nfs/dbraw/zinc/00/59/42/899005942.db2.gz NCUGOQQMTIVVNV-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(N)=O ZINC001381173542 899005957 /nfs/dbraw/zinc/00/59/57/899005957.db2.gz NCUGOQQMTIVVNV-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001381517712 899071481 /nfs/dbraw/zinc/07/14/81/899071481.db2.gz PTSMDCMQISHPIP-DGCLKSJQSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001381517712 899071498 /nfs/dbraw/zinc/07/14/98/899071498.db2.gz PTSMDCMQISHPIP-DGCLKSJQSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001381618510 899096307 /nfs/dbraw/zinc/09/63/07/899096307.db2.gz KEHSYLSSUJUKBK-WDEREUQCSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001381618510 899096321 /nfs/dbraw/zinc/09/63/21/899096321.db2.gz KEHSYLSSUJUKBK-WDEREUQCSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001381618510 899096331 /nfs/dbraw/zinc/09/63/31/899096331.db2.gz KEHSYLSSUJUKBK-WDEREUQCSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001381618510 899096346 /nfs/dbraw/zinc/09/63/46/899096346.db2.gz KEHSYLSSUJUKBK-WDEREUQCSA-N 2 1 270.377 -0.879 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(=O)NC)C1 ZINC001381812671 899114564 /nfs/dbraw/zinc/11/45/64/899114564.db2.gz NCSANQDJYNLGCO-NWDGAFQWSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(=O)NC)C1 ZINC001381812671 899114575 /nfs/dbraw/zinc/11/45/75/899114575.db2.gz NCSANQDJYNLGCO-NWDGAFQWSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC001381812673 899116706 /nfs/dbraw/zinc/11/67/06/899116706.db2.gz NCSANQDJYNLGCO-RYUDHWBXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC001381812673 899116714 /nfs/dbraw/zinc/11/67/14/899116714.db2.gz NCSANQDJYNLGCO-RYUDHWBXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCO)C1 ZINC001381950655 899135070 /nfs/dbraw/zinc/13/50/70/899135070.db2.gz UUHPEAZVILUCBB-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001382216532 899198208 /nfs/dbraw/zinc/19/82/08/899198208.db2.gz HYJNOADQHDVVKH-OLZOCXBDSA-N 2 1 287.404 -0.834 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001382217879 899198532 /nfs/dbraw/zinc/19/85/32/899198532.db2.gz SQTJRYRYMNAKTI-QWHCGFSZSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1ncc(CN[C@H](CO)CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001382282858 899233457 /nfs/dbraw/zinc/23/34/57/899233457.db2.gz KYRGQHJOLAWCAP-LBPRGKRZSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1ncc(C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001382282858 899233483 /nfs/dbraw/zinc/23/34/83/899233483.db2.gz KYRGQHJOLAWCAP-LBPRGKRZSA-N 2 1 298.387 -0.110 20 0 CBADMP CO[C@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001382408457 899282253 /nfs/dbraw/zinc/28/22/53/899282253.db2.gz ORYCNSHSHZWLBV-CHWSQXEVSA-N 2 1 298.387 -0.365 20 0 CBADMP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001382451001 899301831 /nfs/dbraw/zinc/30/18/31/899301831.db2.gz OBRQHFZORBFXFM-VXGBXAGGSA-N 2 1 273.377 -0.912 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001382451001 899301846 /nfs/dbraw/zinc/30/18/46/899301846.db2.gz OBRQHFZORBFXFM-VXGBXAGGSA-N 2 1 273.377 -0.912 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001382451001 899301862 /nfs/dbraw/zinc/30/18/62/899301862.db2.gz OBRQHFZORBFXFM-VXGBXAGGSA-N 2 1 273.377 -0.912 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001382451001 899301875 /nfs/dbraw/zinc/30/18/75/899301875.db2.gz OBRQHFZORBFXFM-VXGBXAGGSA-N 2 1 273.377 -0.912 20 0 CBADMP CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001387094022 899760160 /nfs/dbraw/zinc/76/01/60/899760160.db2.gz MKBJPQCQJSAJRX-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CC[NH+](C)C ZINC001387172804 899770837 /nfs/dbraw/zinc/77/08/37/899770837.db2.gz WNEPZQUHCJQUKR-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001387784086 899828584 /nfs/dbraw/zinc/82/85/84/899828584.db2.gz GYWCDJQKYGOZKR-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001387784086 899828595 /nfs/dbraw/zinc/82/85/95/899828595.db2.gz GYWCDJQKYGOZKR-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001387784086 899828603 /nfs/dbraw/zinc/82/86/03/899828603.db2.gz GYWCDJQKYGOZKR-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCCC(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001387796400 899832352 /nfs/dbraw/zinc/83/23/52/899832352.db2.gz GARVNHQBXDNRLQ-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)N1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001387913823 899848141 /nfs/dbraw/zinc/84/81/41/899848141.db2.gz JMWPJFUHSYCWGZ-CYBMUJFWSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001388058002 899863329 /nfs/dbraw/zinc/86/33/29/899863329.db2.gz NLWLFZCHYABLMR-GFCCVEGCSA-N 2 1 284.404 -0.536 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001388414738 899887300 /nfs/dbraw/zinc/88/73/00/899887300.db2.gz YGRCKYRURMTXCU-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001388729348 899904617 /nfs/dbraw/zinc/90/46/17/899904617.db2.gz WBIZXHLRGAQSLO-SRVKXCTJSA-N 2 1 282.388 -0.702 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1CC)[NH+](C)C ZINC001388772675 899908129 /nfs/dbraw/zinc/90/81/29/899908129.db2.gz AAJURLLWFTZCGT-QJPTWQEYSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1CC)[NH+](C)C ZINC001388772675 899908123 /nfs/dbraw/zinc/90/81/23/899908123.db2.gz AAJURLLWFTZCGT-QJPTWQEYSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@H](C(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001389406344 900008067 /nfs/dbraw/zinc/00/80/67/900008067.db2.gz DXOZYCVZVQMQGF-RWMBFGLXSA-N 2 1 298.431 -0.101 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001389480750 900025517 /nfs/dbraw/zinc/02/55/17/900025517.db2.gz DVLRSURKGRJMRR-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001389480750 900025526 /nfs/dbraw/zinc/02/55/26/900025526.db2.gz DVLRSURKGRJMRR-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001389480750 900025536 /nfs/dbraw/zinc/02/55/36/900025536.db2.gz DVLRSURKGRJMRR-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001389492817 900028482 /nfs/dbraw/zinc/02/84/82/900028482.db2.gz AOTCYPIJJIOLNW-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001389492817 900028490 /nfs/dbraw/zinc/02/84/90/900028490.db2.gz AOTCYPIJJIOLNW-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001389492817 900028496 /nfs/dbraw/zinc/02/84/96/900028496.db2.gz AOTCYPIJJIOLNW-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001389492817 900028499 /nfs/dbraw/zinc/02/84/99/900028499.db2.gz AOTCYPIJJIOLNW-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP Cn1cnnc1C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001389641293 900052746 /nfs/dbraw/zinc/05/27/46/900052746.db2.gz LJNUZZJOCPLURU-LBPRGKRZSA-N 2 1 294.403 -0.249 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]([NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001389694208 900059223 /nfs/dbraw/zinc/05/92/23/900059223.db2.gz QKSOSNSJCGTQEO-JOYOIKCWSA-N 2 1 293.371 -0.450 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001389719340 900062604 /nfs/dbraw/zinc/06/26/04/900062604.db2.gz OPDIIWNGNGPHHT-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001389903366 900090590 /nfs/dbraw/zinc/09/05/90/900090590.db2.gz BLXZJTZTBKANOX-XYPYZODXSA-N 2 1 295.391 -0.713 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001389903366 900090598 /nfs/dbraw/zinc/09/05/98/900090598.db2.gz BLXZJTZTBKANOX-XYPYZODXSA-N 2 1 295.391 -0.713 20 0 CBADMP 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 900125522 /nfs/dbraw/zinc/12/55/22/900125522.db2.gz BFSQAHIBLCGEFG-PEBLQZBPSA-N 2 1 283.416 0.000 20 0 CBADMP CC(C)CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001390306287 900131472 /nfs/dbraw/zinc/13/14/72/900131472.db2.gz JHKYTRWDSWKBCT-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cncn1C ZINC001390319081 900138300 /nfs/dbraw/zinc/13/83/00/900138300.db2.gz IECHODCWAPPRRM-YPMHNXCESA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cncn1C ZINC001390319081 900138308 /nfs/dbraw/zinc/13/83/08/900138308.db2.gz IECHODCWAPPRRM-YPMHNXCESA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(=O)N(C)C ZINC001390393104 900151521 /nfs/dbraw/zinc/15/15/21/900151521.db2.gz CSSHZTKUJLOQNE-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001390478404 900170872 /nfs/dbraw/zinc/17/08/72/900170872.db2.gz IQAQGJWSMJFGQA-JTQLQIEISA-N 2 1 272.393 -0.456 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001390484367 900172295 /nfs/dbraw/zinc/17/22/95/900172295.db2.gz RTZKIBOAIHBQOX-JQWIXIFHSA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001390487102 900173024 /nfs/dbraw/zinc/17/30/24/900173024.db2.gz XOPHVYLABMAMOC-RYUDHWBXSA-N 2 1 284.404 -0.171 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001390517543 900178973 /nfs/dbraw/zinc/17/89/73/900178973.db2.gz YXLBWFRQAZVAOK-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC1CC1 ZINC001390522582 900179077 /nfs/dbraw/zinc/17/90/77/900179077.db2.gz RWHGUZNHGRCLPF-DGCLKSJQSA-N 2 1 296.415 -0.441 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cnnn1C ZINC001390512527 900180941 /nfs/dbraw/zinc/18/09/41/900180941.db2.gz WSGDKXMEQUQZCF-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C ZINC001390510395 900181582 /nfs/dbraw/zinc/18/15/82/900181582.db2.gz PZVUSXRATKAFDM-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C ZINC001390510395 900181591 /nfs/dbraw/zinc/18/15/91/900181591.db2.gz PZVUSXRATKAFDM-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001390614668 900197018 /nfs/dbraw/zinc/19/70/18/900197018.db2.gz XULLFKVWQHHQKN-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001390635635 900199382 /nfs/dbraw/zinc/19/93/82/900199382.db2.gz IQCXUSWQLUYYAC-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001390635635 900199384 /nfs/dbraw/zinc/19/93/84/900199384.db2.gz IQCXUSWQLUYYAC-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001390635635 900199387 /nfs/dbraw/zinc/19/93/87/900199387.db2.gz IQCXUSWQLUYYAC-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001390635635 900199391 /nfs/dbraw/zinc/19/93/91/900199391.db2.gz IQCXUSWQLUYYAC-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001390714669 900216189 /nfs/dbraw/zinc/21/61/89/900216189.db2.gz MJPOBFLXOMPQTH-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CN1CC[C@@H]([N@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2C)C1=O ZINC001390783502 900244202 /nfs/dbraw/zinc/24/42/02/900244202.db2.gz LJBWJZJITZJIAK-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2C)C1=O ZINC001390783502 900244219 /nfs/dbraw/zinc/24/42/19/900244219.db2.gz LJBWJZJITZJIAK-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001390783502 900244223 /nfs/dbraw/zinc/24/42/23/900244223.db2.gz LJBWJZJITZJIAK-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCNC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC001390783502 900244238 /nfs/dbraw/zinc/24/42/38/900244238.db2.gz LJBWJZJITZJIAK-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2CCCC[NH+]2C)C1=O ZINC001390783505 900247222 /nfs/dbraw/zinc/24/72/22/900247222.db2.gz LJBWJZJITZJIAK-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2CCCC[NH+]2C)C1=O ZINC001390783505 900247234 /nfs/dbraw/zinc/24/72/34/900247234.db2.gz LJBWJZJITZJIAK-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001390783505 900247246 /nfs/dbraw/zinc/24/72/46/900247246.db2.gz LJBWJZJITZJIAK-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001390783505 900247258 /nfs/dbraw/zinc/24/72/58/900247258.db2.gz LJBWJZJITZJIAK-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001390807607 900248808 /nfs/dbraw/zinc/24/88/08/900248808.db2.gz BVOLYGCDIKMUJX-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001390807607 900248823 /nfs/dbraw/zinc/24/88/23/900248823.db2.gz BVOLYGCDIKMUJX-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001390807606 900250047 /nfs/dbraw/zinc/25/00/47/900250047.db2.gz BVOLYGCDIKMUJX-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001390807606 900250063 /nfs/dbraw/zinc/25/00/63/900250063.db2.gz BVOLYGCDIKMUJX-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP COC[C@@H](C)[N@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001390832173 900260834 /nfs/dbraw/zinc/26/08/34/900260834.db2.gz RFBNOTVVRMEVPV-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP COC[C@@H](C)[N@@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001390832173 900260847 /nfs/dbraw/zinc/26/08/47/900260847.db2.gz RFBNOTVVRMEVPV-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccnn1C ZINC001390858680 900264576 /nfs/dbraw/zinc/26/45/76/900264576.db2.gz FWJZCJBCXZTFLO-LBPRGKRZSA-N 2 1 279.388 -0.080 20 0 CBADMP CCN1CC[C@H]([N@H+](C)CCNC(=O)C[NH+](C)C(C)C)C1=O ZINC001390862410 900274883 /nfs/dbraw/zinc/27/48/83/900274883.db2.gz IPFLRMWJTFFXEX-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN1CC[C@H]([N@@H+](C)CCNC(=O)C[NH+](C)C(C)C)C1=O ZINC001390862410 900274894 /nfs/dbraw/zinc/27/48/94/900274894.db2.gz IPFLRMWJTFFXEX-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN1CC[C@H]([NH+](C)CCNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001390862410 900274902 /nfs/dbraw/zinc/27/49/02/900274902.db2.gz IPFLRMWJTFFXEX-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN1CC[C@H]([NH+](C)CCNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001390862410 900274912 /nfs/dbraw/zinc/27/49/12/900274912.db2.gz IPFLRMWJTFFXEX-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1CC(=O)NC ZINC001391066126 900300675 /nfs/dbraw/zinc/30/06/75/900300675.db2.gz RVUQHOKVZUBILQ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC(=O)NC ZINC001391066126 900300681 /nfs/dbraw/zinc/30/06/81/900300681.db2.gz RVUQHOKVZUBILQ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC(=O)NC ZINC001391066126 900300688 /nfs/dbraw/zinc/30/06/88/900300688.db2.gz RVUQHOKVZUBILQ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC ZINC001391066126 900300699 /nfs/dbraw/zinc/30/06/99/900300699.db2.gz RVUQHOKVZUBILQ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC ZINC001391066126 900300706 /nfs/dbraw/zinc/30/07/06/900300706.db2.gz RVUQHOKVZUBILQ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001391113423 900313012 /nfs/dbraw/zinc/31/30/12/900313012.db2.gz IVEKTGGAPVOYMI-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001391113425 900315581 /nfs/dbraw/zinc/31/55/81/900315581.db2.gz IVEKTGGAPVOYMI-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH+](C1CC1)[C@H]1CCNC1=O ZINC001391188373 900331876 /nfs/dbraw/zinc/33/18/76/900331876.db2.gz OYQFRHNODSIGFE-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C1CC1)[C@H]1CCNC1=O ZINC001391188373 900331882 /nfs/dbraw/zinc/33/18/82/900331882.db2.gz OYQFRHNODSIGFE-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001391188373 900331891 /nfs/dbraw/zinc/33/18/91/900331891.db2.gz OYQFRHNODSIGFE-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001391188373 900331899 /nfs/dbraw/zinc/33/18/99/900331899.db2.gz OYQFRHNODSIGFE-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+](CCO)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001391342495 900355424 /nfs/dbraw/zinc/35/54/24/900355424.db2.gz DOAJZTWXLCDYKX-STQMWFEESA-N 2 1 285.388 -0.910 20 0 CBADMP C[N@@H+](CCO)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001391342495 900355427 /nfs/dbraw/zinc/35/54/27/900355427.db2.gz DOAJZTWXLCDYKX-STQMWFEESA-N 2 1 285.388 -0.910 20 0 CBADMP C[NH+](CCO)C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001391342495 900355436 /nfs/dbraw/zinc/35/54/36/900355436.db2.gz DOAJZTWXLCDYKX-STQMWFEESA-N 2 1 285.388 -0.910 20 0 CBADMP C[NH+](CCO)C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001391342495 900355445 /nfs/dbraw/zinc/35/54/45/900355445.db2.gz DOAJZTWXLCDYKX-STQMWFEESA-N 2 1 285.388 -0.910 20 0 CBADMP C[N@H+](CCO)C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001391355338 900359507 /nfs/dbraw/zinc/35/95/07/900359507.db2.gz PCUAWETUGZVILI-CQSZACIVSA-N 2 1 299.415 -0.519 20 0 CBADMP C[N@@H+](CCO)C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001391355338 900359514 /nfs/dbraw/zinc/35/95/14/900359514.db2.gz PCUAWETUGZVILI-CQSZACIVSA-N 2 1 299.415 -0.519 20 0 CBADMP C[N@H+](CC(N)=O)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001391366235 900362737 /nfs/dbraw/zinc/36/27/37/900362737.db2.gz SJWWCLMODURPJD-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP COC[C@H](C)[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001391516247 900396885 /nfs/dbraw/zinc/39/68/85/900396885.db2.gz SLEADOAYNDEFCE-ZDUSSCGKSA-N 2 1 299.415 -0.208 20 0 CBADMP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001391552765 900408920 /nfs/dbraw/zinc/40/89/20/900408920.db2.gz IWNMIWWFROBICA-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001391552765 900408930 /nfs/dbraw/zinc/40/89/30/900408930.db2.gz IWNMIWWFROBICA-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001391552765 900408942 /nfs/dbraw/zinc/40/89/42/900408942.db2.gz IWNMIWWFROBICA-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001391552765 900408955 /nfs/dbraw/zinc/40/89/55/900408955.db2.gz IWNMIWWFROBICA-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001391564631 900410337 /nfs/dbraw/zinc/41/03/37/900410337.db2.gz OKNOCWXPLOUQIV-WOPDTQHZSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001391564631 900410341 /nfs/dbraw/zinc/41/03/41/900410341.db2.gz OKNOCWXPLOUQIV-WOPDTQHZSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001391697844 900434802 /nfs/dbraw/zinc/43/48/02/900434802.db2.gz WLEZCOFLMZHCNU-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001391945894 900469610 /nfs/dbraw/zinc/46/96/10/900469610.db2.gz MKICTYOMYYBXLP-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001391945892 900469979 /nfs/dbraw/zinc/46/99/79/900469979.db2.gz MKICTYOMYYBXLP-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001392308033 900559309 /nfs/dbraw/zinc/55/93/09/900559309.db2.gz AZELVJCJGUBWQY-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001392308033 900559316 /nfs/dbraw/zinc/55/93/16/900559316.db2.gz AZELVJCJGUBWQY-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001392348339 900574657 /nfs/dbraw/zinc/57/46/57/900574657.db2.gz YBCNSXRVXHTVRX-AAEUAGOBSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[C@H]([NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001392529620 900648127 /nfs/dbraw/zinc/64/81/27/900648127.db2.gz IJRZLQPEPFHQIN-KOLCDFICSA-N 2 1 281.360 -0.450 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001392523239 900649112 /nfs/dbraw/zinc/64/91/12/900649112.db2.gz BNXUXUYUKONTBE-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392589633 900670656 /nfs/dbraw/zinc/67/06/56/900670656.db2.gz AGCXQFORHQNIIU-AVGNSLFASA-N 2 1 287.404 -0.570 20 0 CBADMP C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)C[NH+](C)C1CCC1 ZINC001392661284 900691030 /nfs/dbraw/zinc/69/10/30/900691030.db2.gz PCKQMEKDLOEZCG-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)C[NH+](C)C1CCC1 ZINC001392661284 900691040 /nfs/dbraw/zinc/69/10/40/900691040.db2.gz PCKQMEKDLOEZCG-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C[NH+](C)[C@H](C)C(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001392661284 900691049 /nfs/dbraw/zinc/69/10/49/900691049.db2.gz PCKQMEKDLOEZCG-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](C[NH+](C)[C@H](C)C(N)=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001392661284 900691056 /nfs/dbraw/zinc/69/10/56/900691056.db2.gz PCKQMEKDLOEZCG-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H]([NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1)C(N)=O ZINC001392760985 900717724 /nfs/dbraw/zinc/71/77/24/900717724.db2.gz ALDDAWDATIBAAU-MFKMUULPSA-N 2 1 296.415 -0.171 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392806524 900728135 /nfs/dbraw/zinc/72/81/35/900728135.db2.gz XUFNZLIHKSTZEK-YPMHNXCESA-N 2 1 296.415 -0.441 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001392791134 900728722 /nfs/dbraw/zinc/72/87/22/900728722.db2.gz DKNBVYBPNCMZID-YPMHNXCESA-N 2 1 296.415 -0.441 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392796471 900728940 /nfs/dbraw/zinc/72/89/40/900728940.db2.gz DWYVFWARHSXXGO-JQWIXIFHSA-N 2 1 282.388 -0.702 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001392899188 900755483 /nfs/dbraw/zinc/75/54/83/900755483.db2.gz TVDICWQNCHUGGX-NSHDSACASA-N 2 1 282.388 -0.417 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CC(=O)N(C)C)CC1 ZINC001392955927 900765318 /nfs/dbraw/zinc/76/53/18/900765318.db2.gz AAVYBJYFYPYHMB-UHFFFAOYSA-N 2 1 293.371 -0.482 20 0 CBADMP CC[C@@H](C(=O)NC1CN(C(=O)C[N@@H+](C)C(C)C)C1)[NH+](C)C ZINC001456408682 914476147 /nfs/dbraw/zinc/47/61/47/914476147.db2.gz IZLMDSSJHHWJME-ZDUSSCGKSA-N 2 1 298.431 -0.006 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001456404341 914476676 /nfs/dbraw/zinc/47/66/76/914476676.db2.gz QAPKWPGUEXUIBN-DGCLKSJQSA-N 2 1 296.415 -0.395 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001393058141 900786784 /nfs/dbraw/zinc/78/67/84/900786784.db2.gz WUOBUEDWGJPREC-NSHDSACASA-N 2 1 279.344 -0.743 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(C)CCC[NH+](CCO)C2)C1 ZINC001393186355 900802463 /nfs/dbraw/zinc/80/24/63/900802463.db2.gz LCVCVXBXXIHVNX-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(C)CCC[NH+](CCO)C2)C1 ZINC001393186355 900802469 /nfs/dbraw/zinc/80/24/69/900802469.db2.gz LCVCVXBXXIHVNX-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@]2(C)CCC[N@H+](CCO)C2)C1 ZINC001393186355 900802476 /nfs/dbraw/zinc/80/24/76/900802476.db2.gz LCVCVXBXXIHVNX-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@]2(C)CCC[N@@H+](CCO)C2)C1 ZINC001393186355 900802484 /nfs/dbraw/zinc/80/24/84/900802484.db2.gz LCVCVXBXXIHVNX-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP CC1CC[NH+](CC(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)CC1 ZINC001393268027 900822431 /nfs/dbraw/zinc/82/24/31/900822431.db2.gz IPPJPMIVNMDCOU-OAHLLOKOSA-N 2 1 299.415 -0.736 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](CCF)C1 ZINC001393267905 900822586 /nfs/dbraw/zinc/82/25/86/900822586.db2.gz HVUGOFLGBFQKKC-ZDUSSCGKSA-N 2 1 275.368 -0.149 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](CCF)C1 ZINC001393267905 900822595 /nfs/dbraw/zinc/82/25/95/900822595.db2.gz HVUGOFLGBFQKKC-ZDUSSCGKSA-N 2 1 275.368 -0.149 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001393267905 900822606 /nfs/dbraw/zinc/82/26/06/900822606.db2.gz HVUGOFLGBFQKKC-ZDUSSCGKSA-N 2 1 275.368 -0.149 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001393267905 900822611 /nfs/dbraw/zinc/82/26/11/900822611.db2.gz HVUGOFLGBFQKKC-ZDUSSCGKSA-N 2 1 275.368 -0.149 20 0 CBADMP O=C(C1C[NH+](C2CCOCC2)C1)N1CC([NH2+]C2COC2)C1 ZINC001456520998 914481395 /nfs/dbraw/zinc/48/13/95/914481395.db2.gz URPYWPORUUZROJ-UHFFFAOYSA-N 2 1 295.383 -0.704 20 0 CBADMP CCC[NH+]1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001393318975 900839091 /nfs/dbraw/zinc/83/90/91/900839091.db2.gz SCFNISJITWBXAK-CYBMUJFWSA-N 2 1 281.400 -0.099 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NCC2(O)C[NH+](CC3CC3)C2)C1 ZINC001393355363 900846488 /nfs/dbraw/zinc/84/64/88/900846488.db2.gz NQMFLRGQKAFOAW-CYBMUJFWSA-N 2 1 281.400 -0.099 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC2(O)C[NH+](CC3CC3)C2)C1 ZINC001393355363 900846500 /nfs/dbraw/zinc/84/65/00/900846500.db2.gz NQMFLRGQKAFOAW-CYBMUJFWSA-N 2 1 281.400 -0.099 20 0 CBADMP COC[C@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001393469324 900864125 /nfs/dbraw/zinc/86/41/25/900864125.db2.gz ZGCCIHAECLNXEE-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@@H+](CC(=O)NCC1([NH2+]CC(N)=O)CCC1)C1CCC1 ZINC001393541676 900872022 /nfs/dbraw/zinc/87/20/22/900872022.db2.gz ACRIULRVJIJWOK-UHFFFAOYSA-N 2 1 282.388 -0.416 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001393594626 900882570 /nfs/dbraw/zinc/88/25/70/900882570.db2.gz KJSGIZCFLKUFSO-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@@H](O)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001393700903 900896104 /nfs/dbraw/zinc/89/61/04/900896104.db2.gz APZWIGOHNOAWRD-OLZOCXBDSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1nncn1C ZINC001393745085 900899259 /nfs/dbraw/zinc/89/92/59/900899259.db2.gz GAMBLXNHEZDIOM-RYUDHWBXSA-N 2 1 294.403 -0.297 20 0 CBADMP CNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001393734552 900900562 /nfs/dbraw/zinc/90/05/62/900900562.db2.gz LSBNJNYSFBLXNV-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(N)=O ZINC001393990305 900947500 /nfs/dbraw/zinc/94/75/00/900947500.db2.gz UPCSDJDYROJYIC-MNOVXSKESA-N 2 1 295.387 -0.025 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001394131742 900979745 /nfs/dbraw/zinc/97/97/45/900979745.db2.gz ZYPIISPSRXNAKR-AAEUAGOBSA-N 2 1 286.420 -0.245 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001394131742 900979750 /nfs/dbraw/zinc/97/97/50/900979750.db2.gz ZYPIISPSRXNAKR-AAEUAGOBSA-N 2 1 286.420 -0.245 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001394139659 900984962 /nfs/dbraw/zinc/98/49/62/900984962.db2.gz POYZUBFQWNYQAN-RYUDHWBXSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001394139659 900984970 /nfs/dbraw/zinc/98/49/70/900984970.db2.gz POYZUBFQWNYQAN-RYUDHWBXSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001394139659 900984975 /nfs/dbraw/zinc/98/49/75/900984975.db2.gz POYZUBFQWNYQAN-RYUDHWBXSA-N 2 1 286.420 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001394139659 900984978 /nfs/dbraw/zinc/98/49/78/900984978.db2.gz POYZUBFQWNYQAN-RYUDHWBXSA-N 2 1 286.420 -0.102 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC(N)=O ZINC001394209700 900997359 /nfs/dbraw/zinc/99/73/59/900997359.db2.gz HLHJTKXHMYDRJD-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@H+]1CC(N)=O ZINC001394209700 900997364 /nfs/dbraw/zinc/99/73/64/900997364.db2.gz HLHJTKXHMYDRJD-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCO)C1 ZINC001394331420 901015159 /nfs/dbraw/zinc/01/51/59/901015159.db2.gz PCOSMMMIYPKGSV-YPMHNXCESA-N 2 1 296.371 -0.611 20 0 CBADMP COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001394341021 901016402 /nfs/dbraw/zinc/01/64/02/901016402.db2.gz OUIWMPVZMAMOBI-SYQHCUMBSA-N 2 1 299.415 -0.761 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001394381207 901023648 /nfs/dbraw/zinc/02/36/48/901023648.db2.gz MINPXEJWZNVFGD-XDQVBPFNSA-N 2 1 299.415 -0.570 20 0 CBADMP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001394509807 901041970 /nfs/dbraw/zinc/04/19/70/901041970.db2.gz RLLUFNSMHAJTRJ-JQWIXIFHSA-N 2 1 295.387 -0.108 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001394536655 901045695 /nfs/dbraw/zinc/04/56/95/901045695.db2.gz JQEWBMAXZBJOJP-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001394552592 901046712 /nfs/dbraw/zinc/04/67/12/901046712.db2.gz IAWDOYOQRFPELG-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001394616680 901091334 /nfs/dbraw/zinc/09/13/34/901091334.db2.gz NPNJYBWSVVPMEL-QWHCGFSZSA-N 2 1 295.387 -0.919 20 0 CBADMP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)on1 ZINC001394658594 901112036 /nfs/dbraw/zinc/11/20/36/901112036.db2.gz YCSFKSHVTXKDLT-VXGBXAGGSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)on1 ZINC001394658594 901112043 /nfs/dbraw/zinc/11/20/43/901112043.db2.gz YCSFKSHVTXKDLT-VXGBXAGGSA-N 2 1 296.371 -0.499 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001394792078 901159248 /nfs/dbraw/zinc/15/92/48/901159248.db2.gz MQEWQOWUTGHZFA-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001394808649 901159326 /nfs/dbraw/zinc/15/93/26/901159326.db2.gz CNEPUOWMZFEZSV-GHMZBOCLSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]CC(=O)NC)C1 ZINC001394863873 901166153 /nfs/dbraw/zinc/16/61/53/901166153.db2.gz XEVXSRYNISFQEC-UHFFFAOYSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001395172933 901184734 /nfs/dbraw/zinc/18/47/34/901184734.db2.gz SWGMRDHQCIVXCE-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001396939380 901348770 /nfs/dbraw/zinc/34/87/70/901348770.db2.gz OGFGZXYEVNKQHF-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001397074123 901361647 /nfs/dbraw/zinc/36/16/47/901361647.db2.gz IEQCQXRLVUWRJB-SDDRHHMPSA-N 2 1 293.371 -0.450 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001397074126 901363529 /nfs/dbraw/zinc/36/35/29/901363529.db2.gz IEQCQXRLVUWRJB-UTUOFQBUSA-N 2 1 293.371 -0.450 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001397444052 901412453 /nfs/dbraw/zinc/41/24/53/901412453.db2.gz KJJZLCBAYMPXPI-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001397602633 901435752 /nfs/dbraw/zinc/43/57/52/901435752.db2.gz FFZPKADGAQJQEQ-XQQFMLRXSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001397801829 901457733 /nfs/dbraw/zinc/45/77/33/901457733.db2.gz IYEBYTSVRXPTHJ-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001397801829 901457737 /nfs/dbraw/zinc/45/77/37/901457737.db2.gz IYEBYTSVRXPTHJ-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001397924996 901478428 /nfs/dbraw/zinc/47/84/28/901478428.db2.gz AHYHKHXEKUTBEA-CHWSQXEVSA-N 2 1 296.415 -0.536 20 0 CBADMP CN(CCNC(=O)[C@@H]1CC[NH+](C)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001397924996 901478433 /nfs/dbraw/zinc/47/84/33/901478433.db2.gz AHYHKHXEKUTBEA-CHWSQXEVSA-N 2 1 296.415 -0.536 20 0 CBADMP CN(CCNC(=O)[C@@H]1CC[NH+](C)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001397924996 901478438 /nfs/dbraw/zinc/47/84/38/901478438.db2.gz AHYHKHXEKUTBEA-CHWSQXEVSA-N 2 1 296.415 -0.536 20 0 CBADMP CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCC[NH+]1C ZINC001397930458 901479815 /nfs/dbraw/zinc/47/98/15/901479815.db2.gz WHTNRVJYXMVGDZ-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)[C@H]1CC[NH+](C)C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001397930458 901479823 /nfs/dbraw/zinc/47/98/23/901479823.db2.gz WHTNRVJYXMVGDZ-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCNC(=O)[C@H]1CC[NH+](C)C1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001397930458 901479831 /nfs/dbraw/zinc/47/98/31/901479831.db2.gz WHTNRVJYXMVGDZ-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001398194467 901505053 /nfs/dbraw/zinc/50/50/53/901505053.db2.gz WAWMPJLQQGHIDP-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001398301562 901521217 /nfs/dbraw/zinc/52/12/17/901521217.db2.gz RRAYCLZCYWLMBO-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001398301562 901521228 /nfs/dbraw/zinc/52/12/28/901521228.db2.gz RRAYCLZCYWLMBO-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001398301562 901521240 /nfs/dbraw/zinc/52/12/40/901521240.db2.gz RRAYCLZCYWLMBO-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001398301562 901521250 /nfs/dbraw/zinc/52/12/50/901521250.db2.gz RRAYCLZCYWLMBO-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001398338616 901526173 /nfs/dbraw/zinc/52/61/73/901526173.db2.gz LGRQSJGTAYTYJF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001398338616 901526182 /nfs/dbraw/zinc/52/61/82/901526182.db2.gz LGRQSJGTAYTYJF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001398338616 901526190 /nfs/dbraw/zinc/52/61/90/901526190.db2.gz LGRQSJGTAYTYJF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001398338616 901526199 /nfs/dbraw/zinc/52/61/99/901526199.db2.gz LGRQSJGTAYTYJF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001398348974 901527292 /nfs/dbraw/zinc/52/72/92/901527292.db2.gz XTVNUPKSPYDHJR-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001398348974 901527302 /nfs/dbraw/zinc/52/73/02/901527302.db2.gz XTVNUPKSPYDHJR-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001398535664 901549396 /nfs/dbraw/zinc/54/93/96/901549396.db2.gz UJIQJVLIJAJZMW-FDYHWXHSSA-N 2 1 296.415 -0.301 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001398535152 901551126 /nfs/dbraw/zinc/55/11/26/901551126.db2.gz XXZLJPJVGMRWFY-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001398558354 901558875 /nfs/dbraw/zinc/55/88/75/901558875.db2.gz OWHYLFABFHHBES-AVGNSLFASA-N 2 1 296.371 -0.564 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001398573467 901564680 /nfs/dbraw/zinc/56/46/80/901564680.db2.gz NPYBFNAYNTZTHE-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](C(=O)NC1CN(C(=O)C[N@@H+](C)C(C)C)C1)[NH+](C)C ZINC001398634133 901579783 /nfs/dbraw/zinc/57/97/83/901579783.db2.gz IZLMDSSJHHWJME-CYBMUJFWSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001398665386 901585515 /nfs/dbraw/zinc/58/55/15/901585515.db2.gz LCORCVYAQLILSO-TUAOUCFPSA-N 2 1 282.388 -0.548 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001398668386 901588402 /nfs/dbraw/zinc/58/84/02/901588402.db2.gz KCSUWCBJKZEZTQ-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001398668386 901588408 /nfs/dbraw/zinc/58/84/08/901588408.db2.gz KCSUWCBJKZEZTQ-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001398668386 901588414 /nfs/dbraw/zinc/58/84/14/901588414.db2.gz KCSUWCBJKZEZTQ-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001398668386 901588422 /nfs/dbraw/zinc/58/84/22/901588422.db2.gz KCSUWCBJKZEZTQ-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)OC)C2)C1 ZINC001398668802 901588605 /nfs/dbraw/zinc/58/86/05/901588605.db2.gz SNDUYLQWTAMBTR-IGQOVBAYSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)OC)C2)C1 ZINC001398668802 901588614 /nfs/dbraw/zinc/58/86/14/901588614.db2.gz SNDUYLQWTAMBTR-IGQOVBAYSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NCC1CC1 ZINC001398889665 901622060 /nfs/dbraw/zinc/62/20/60/901622060.db2.gz SVMUYVTVKNPBIS-WCQYABFASA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)C ZINC001398920773 901632340 /nfs/dbraw/zinc/63/23/40/901632340.db2.gz LUIBOOGTSZGONU-QJPTWQEYSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001398961257 901642829 /nfs/dbraw/zinc/64/28/29/901642829.db2.gz RGASNZSQQNZGPB-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCN1CCCC1=O ZINC001399013410 901649450 /nfs/dbraw/zinc/64/94/50/901649450.db2.gz HMNIGZPGVMYTMF-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001399037574 901654854 /nfs/dbraw/zinc/65/48/54/901654854.db2.gz SMCBUHAFDQOHFE-WOPDTQHZSA-N 2 1 284.404 -0.443 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001399107285 901666443 /nfs/dbraw/zinc/66/64/43/901666443.db2.gz JJCRQAFBRHKWHA-LLVKDONJSA-N 2 1 293.371 -0.482 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001399154412 901672785 /nfs/dbraw/zinc/67/27/85/901672785.db2.gz DWUGCXGTGPSJNQ-WDEREUQCSA-N 2 1 297.407 -0.294 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001399154412 901672794 /nfs/dbraw/zinc/67/27/94/901672794.db2.gz DWUGCXGTGPSJNQ-WDEREUQCSA-N 2 1 297.407 -0.294 20 0 CBADMP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399127052 901674000 /nfs/dbraw/zinc/67/40/00/901674000.db2.gz WAWGRMGWGZRTLL-GXSJLCMTSA-N 2 1 281.360 -0.076 20 0 CBADMP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399127052 901674005 /nfs/dbraw/zinc/67/40/05/901674005.db2.gz WAWGRMGWGZRTLL-GXSJLCMTSA-N 2 1 281.360 -0.076 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001399217658 901683477 /nfs/dbraw/zinc/68/34/77/901683477.db2.gz FTHSJXXDPSCMAE-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001399250930 901688729 /nfs/dbraw/zinc/68/87/29/901688729.db2.gz YUHHVKFZGABCHA-NWDGAFQWSA-N 2 1 282.388 -0.878 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001457347807 914557637 /nfs/dbraw/zinc/55/76/37/914557637.db2.gz XUIBTJVBHOOPOL-STQMWFEESA-N 2 1 298.431 -0.242 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001399380183 901705295 /nfs/dbraw/zinc/70/52/95/901705295.db2.gz WAXGFGZMBNWBFL-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001399489170 901734285 /nfs/dbraw/zinc/73/42/85/901734285.db2.gz SPFONAOKWPZVLR-PWSUYJOCSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001399489170 901734296 /nfs/dbraw/zinc/73/42/96/901734296.db2.gz SPFONAOKWPZVLR-PWSUYJOCSA-N 2 1 282.388 -0.750 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CCn1cncn1 ZINC001399563471 901749658 /nfs/dbraw/zinc/74/96/58/901749658.db2.gz VMSSCQQFRBVTJU-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CCn1cncn1 ZINC001399563471 901749667 /nfs/dbraw/zinc/74/96/67/901749667.db2.gz VMSSCQQFRBVTJU-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)CCn1cncn1 ZINC001399563471 901749676 /nfs/dbraw/zinc/74/96/76/901749676.db2.gz VMSSCQQFRBVTJU-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC(=O)NC ZINC001399799285 901805067 /nfs/dbraw/zinc/80/50/67/901805067.db2.gz YNFWOFIMXIQUII-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC(=O)NC ZINC001399799285 901805071 /nfs/dbraw/zinc/80/50/71/901805071.db2.gz YNFWOFIMXIQUII-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@@H](C)C(=O)NC ZINC001399812039 901811216 /nfs/dbraw/zinc/81/12/16/901811216.db2.gz RQFYBNFYQACLRR-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@@H](C)C(=O)NC ZINC001399812039 901811227 /nfs/dbraw/zinc/81/12/27/901811227.db2.gz RQFYBNFYQACLRR-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCN(C)C(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001399833788 901813799 /nfs/dbraw/zinc/81/37/99/901813799.db2.gz XRPGCIYXJCNGKA-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCN(C)C(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001399833788 901813802 /nfs/dbraw/zinc/81/38/02/901813802.db2.gz XRPGCIYXJCNGKA-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCN(C)C(=O)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399833788 901813806 /nfs/dbraw/zinc/81/38/06/901813806.db2.gz XRPGCIYXJCNGKA-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCN(C)C(=O)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399833788 901813808 /nfs/dbraw/zinc/81/38/08/901813808.db2.gz XRPGCIYXJCNGKA-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001399942073 901839567 /nfs/dbraw/zinc/83/95/67/901839567.db2.gz XKWXTYWFFHGNNE-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001399958360 901847039 /nfs/dbraw/zinc/84/70/39/901847039.db2.gz XDUDTPBHROOWEW-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[C@H](C(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001400015390 901855148 /nfs/dbraw/zinc/85/51/48/901855148.db2.gz DXOZYCVZVQMQGF-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001400048361 901861834 /nfs/dbraw/zinc/86/18/34/901861834.db2.gz HKTFJPCNKSCABP-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001400172219 901888820 /nfs/dbraw/zinc/88/88/20/901888820.db2.gz IKPWMFDSTAEWRB-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001400229771 901899018 /nfs/dbraw/zinc/89/90/18/901899018.db2.gz WJBYHORUBSVHDC-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CN1CCC[C@H]([NH+]2CC(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001400528411 901958839 /nfs/dbraw/zinc/95/88/39/901958839.db2.gz RAOPXPDOLPPMQG-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001400621480 901983000 /nfs/dbraw/zinc/98/30/00/901983000.db2.gz PVHFPUFOMUBEMC-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001400621480 901983012 /nfs/dbraw/zinc/98/30/12/901983012.db2.gz PVHFPUFOMUBEMC-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001400631487 901985503 /nfs/dbraw/zinc/98/55/03/901985503.db2.gz PUMNDZKOPGAEIM-AVGNSLFASA-N 2 1 298.431 -0.006 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001400631487 901985515 /nfs/dbraw/zinc/98/55/15/901985515.db2.gz PUMNDZKOPGAEIM-AVGNSLFASA-N 2 1 298.431 -0.006 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001400676613 901996559 /nfs/dbraw/zinc/99/65/59/901996559.db2.gz GKLUOQDWZXJLIJ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001400676613 901996566 /nfs/dbraw/zinc/99/65/66/901996566.db2.gz GKLUOQDWZXJLIJ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001400676613 901996573 /nfs/dbraw/zinc/99/65/73/901996573.db2.gz GKLUOQDWZXJLIJ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001400676613 901996580 /nfs/dbraw/zinc/99/65/80/901996580.db2.gz GKLUOQDWZXJLIJ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001400711528 901999691 /nfs/dbraw/zinc/99/96/91/901999691.db2.gz SAZVRFCUEBKANM-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001400711528 901999700 /nfs/dbraw/zinc/99/97/00/901999700.db2.gz SAZVRFCUEBKANM-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC(=O)NC ZINC001400807629 902021245 /nfs/dbraw/zinc/02/12/45/902021245.db2.gz YSURXNJMYVYCBQ-FRRDWIJNSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001400860751 902029270 /nfs/dbraw/zinc/02/92/70/902029270.db2.gz OYRWVKLMYFIASU-MNOVXSKESA-N 2 1 297.407 -0.465 20 0 CBADMP CC[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NC ZINC001400873374 902034050 /nfs/dbraw/zinc/03/40/50/902034050.db2.gz ZRXHHPCGBJMFIY-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001400897981 902037872 /nfs/dbraw/zinc/03/78/72/902037872.db2.gz MIQFEYVECQMUKW-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001400897981 902037881 /nfs/dbraw/zinc/03/78/81/902037881.db2.gz MIQFEYVECQMUKW-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]CC(N)=O ZINC001401129633 902060058 /nfs/dbraw/zinc/06/00/58/902060058.db2.gz QNMDDFKGTWSQDW-SRVKXCTJSA-N 2 1 284.404 -0.456 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1)C(N)=O ZINC001401189304 902076519 /nfs/dbraw/zinc/07/65/19/902076519.db2.gz PWEUCVLVSBFPAV-NEPJUHHUSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1)C(N)=O ZINC001401189308 902076994 /nfs/dbraw/zinc/07/69/94/902076994.db2.gz PWEUCVLVSBFPAV-RYUDHWBXSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401260794 902097186 /nfs/dbraw/zinc/09/71/86/902097186.db2.gz OUJYSCAMRNEULI-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401260794 902097196 /nfs/dbraw/zinc/09/71/96/902097196.db2.gz OUJYSCAMRNEULI-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001401372423 902115193 /nfs/dbraw/zinc/11/51/93/902115193.db2.gz ZVDFQHMBAWVWME-LLVKDONJSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001401372423 902115202 /nfs/dbraw/zinc/11/52/02/902115202.db2.gz ZVDFQHMBAWVWME-LLVKDONJSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001401372423 902115209 /nfs/dbraw/zinc/11/52/09/902115209.db2.gz ZVDFQHMBAWVWME-LLVKDONJSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001401372423 902115218 /nfs/dbraw/zinc/11/52/18/902115218.db2.gz ZVDFQHMBAWVWME-LLVKDONJSA-N 2 1 284.404 -0.265 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NC[C@@H](O)C[NH2+]CC2CC2)no1 ZINC001401569909 902172560 /nfs/dbraw/zinc/17/25/60/902172560.db2.gz SGZQBCSWDYKNPI-NSHDSACASA-N 2 1 296.371 -0.174 20 0 CBADMP CC[C@@H]([NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001401612733 902189534 /nfs/dbraw/zinc/18/95/34/902189534.db2.gz YRDKGRYBXGZTTO-CMPLNLGQSA-N 2 1 295.387 -0.060 20 0 CBADMP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001401630093 902201701 /nfs/dbraw/zinc/20/17/01/902201701.db2.gz AZPILDHLBFCGRC-DGCLKSJQSA-N 2 1 294.403 -0.106 20 0 CBADMP CO[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001401649678 902209247 /nfs/dbraw/zinc/20/92/47/902209247.db2.gz FCRVXVZONRJSSU-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP C[C@@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)CC[NH+]1CCOCC1 ZINC001401714136 902245992 /nfs/dbraw/zinc/24/59/92/902245992.db2.gz PTOHLKYPHBQUQM-KBPBESRZSA-N 2 1 299.415 -0.161 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401777364 902264852 /nfs/dbraw/zinc/26/48/52/902264852.db2.gz TURYHVQYUPETCR-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401777364 902264862 /nfs/dbraw/zinc/26/48/62/902264862.db2.gz TURYHVQYUPETCR-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001401773339 902266693 /nfs/dbraw/zinc/26/66/93/902266693.db2.gz COGCRDBKFQVFOE-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001401773339 902266704 /nfs/dbraw/zinc/26/67/04/902266704.db2.gz COGCRDBKFQVFOE-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401773339 902266712 /nfs/dbraw/zinc/26/67/12/902266712.db2.gz COGCRDBKFQVFOE-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401773339 902266721 /nfs/dbraw/zinc/26/67/21/902266721.db2.gz COGCRDBKFQVFOE-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)CCC[NH+](C)C ZINC001401783324 902270015 /nfs/dbraw/zinc/27/00/15/902270015.db2.gz LJGAOVZEYFWYKY-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001401779375 902273577 /nfs/dbraw/zinc/27/35/77/902273577.db2.gz MVDHFPXVLZGZJH-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001401779375 902273587 /nfs/dbraw/zinc/27/35/87/902273587.db2.gz MVDHFPXVLZGZJH-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001401779375 902273600 /nfs/dbraw/zinc/27/36/00/902273600.db2.gz MVDHFPXVLZGZJH-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001401779375 902273613 /nfs/dbraw/zinc/27/36/13/902273613.db2.gz MVDHFPXVLZGZJH-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001401905160 902304235 /nfs/dbraw/zinc/30/42/35/902304235.db2.gz GUUMBGSWTGXILC-RWMBFGLXSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001401905160 902304240 /nfs/dbraw/zinc/30/42/40/902304240.db2.gz GUUMBGSWTGXILC-RWMBFGLXSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001401905160 902304244 /nfs/dbraw/zinc/30/42/44/902304244.db2.gz GUUMBGSWTGXILC-RWMBFGLXSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001401905160 902304248 /nfs/dbraw/zinc/30/42/48/902304248.db2.gz GUUMBGSWTGXILC-RWMBFGLXSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001402056614 902347167 /nfs/dbraw/zinc/34/71/67/902347167.db2.gz RVTXOCLYUXMLEG-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001402118674 902361864 /nfs/dbraw/zinc/36/18/64/902361864.db2.gz FSBNVSIWCXSJGR-SWLSCSKDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001402118674 902361872 /nfs/dbraw/zinc/36/18/72/902361872.db2.gz FSBNVSIWCXSJGR-SWLSCSKDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001402118674 902361882 /nfs/dbraw/zinc/36/18/82/902361882.db2.gz FSBNVSIWCXSJGR-SWLSCSKDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001402118674 902361897 /nfs/dbraw/zinc/36/18/97/902361897.db2.gz FSBNVSIWCXSJGR-SWLSCSKDSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001402141309 902371159 /nfs/dbraw/zinc/37/11/59/902371159.db2.gz UTZMIXFDPMDRDH-SWLSCSKDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001402141309 902371169 /nfs/dbraw/zinc/37/11/69/902371169.db2.gz UTZMIXFDPMDRDH-SWLSCSKDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001402141309 902371181 /nfs/dbraw/zinc/37/11/81/902371181.db2.gz UTZMIXFDPMDRDH-SWLSCSKDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402141309 902371192 /nfs/dbraw/zinc/37/11/92/902371192.db2.gz UTZMIXFDPMDRDH-SWLSCSKDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001402141280 902372380 /nfs/dbraw/zinc/37/23/80/902372380.db2.gz UTZMIXFDPMDRDH-DOMZBBRYSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001402141280 902372393 /nfs/dbraw/zinc/37/23/93/902372393.db2.gz UTZMIXFDPMDRDH-DOMZBBRYSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001402141280 902372403 /nfs/dbraw/zinc/37/24/03/902372403.db2.gz UTZMIXFDPMDRDH-DOMZBBRYSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001402141280 902372410 /nfs/dbraw/zinc/37/24/10/902372410.db2.gz UTZMIXFDPMDRDH-DOMZBBRYSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](C[C@@H](C)O)C1 ZINC001402285923 902408592 /nfs/dbraw/zinc/40/85/92/902408592.db2.gz HYVCDHIYMKJJHH-TZMCWYRMSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001402285923 902408598 /nfs/dbraw/zinc/40/85/98/902408598.db2.gz HYVCDHIYMKJJHH-TZMCWYRMSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001402285923 902408601 /nfs/dbraw/zinc/40/86/01/902408601.db2.gz HYVCDHIYMKJJHH-TZMCWYRMSA-N 2 1 287.404 -0.738 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001402298116 902416902 /nfs/dbraw/zinc/41/69/02/902416902.db2.gz UHUNGFGXISVWCE-CQSZACIVSA-N 2 1 285.388 -0.718 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001402370064 902439221 /nfs/dbraw/zinc/43/92/21/902439221.db2.gz XNMJTKVCMZVPRB-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001402553069 902478374 /nfs/dbraw/zinc/47/83/74/902478374.db2.gz SMQODEUTUZOWGC-WNGYAQOMSA-N 2 1 296.415 -0.158 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001402574673 902479975 /nfs/dbraw/zinc/47/99/75/902479975.db2.gz LOOQQDAASCOBQG-XQQFMLRXSA-N 2 1 296.415 -0.156 20 0 CBADMP CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001402561906 902481004 /nfs/dbraw/zinc/48/10/04/902481004.db2.gz MZCGWJCGLUIPLG-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001402601243 902486553 /nfs/dbraw/zinc/48/65/53/902486553.db2.gz DQTXIFMSVUHXCP-IGQOVBAYSA-N 2 1 299.415 -0.428 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001402592631 902487546 /nfs/dbraw/zinc/48/75/46/902487546.db2.gz NJZHPJNLBKGFBU-UTUOFQBUSA-N 2 1 293.371 -0.437 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001402746781 902511100 /nfs/dbraw/zinc/51/11/00/902511100.db2.gz NXXCTEGHWKZHNQ-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001402746781 902511106 /nfs/dbraw/zinc/51/11/06/902511106.db2.gz NXXCTEGHWKZHNQ-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001402787927 902517859 /nfs/dbraw/zinc/51/78/59/902517859.db2.gz NWWFMPICECMMKC-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001402775680 902520121 /nfs/dbraw/zinc/52/01/21/902520121.db2.gz AYHUMBZNNKEOTE-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC(N)=O ZINC001402830103 902529023 /nfs/dbraw/zinc/52/90/23/902529023.db2.gz XKNXNWRXEADROM-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CC(N)=O ZINC001402830103 902529034 /nfs/dbraw/zinc/52/90/34/902529034.db2.gz XKNXNWRXEADROM-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CC(N)=O ZINC001402830103 902529037 /nfs/dbraw/zinc/52/90/37/902529037.db2.gz XKNXNWRXEADROM-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CC(N)=O ZINC001402830103 902529048 /nfs/dbraw/zinc/52/90/48/902529048.db2.gz XKNXNWRXEADROM-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001402843402 902536307 /nfs/dbraw/zinc/53/63/07/902536307.db2.gz HYLBJSBFRKFIEP-JQWIXIFHSA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001402910203 902560740 /nfs/dbraw/zinc/56/07/40/902560740.db2.gz HAISOVFXWUVLOS-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001402910203 902560747 /nfs/dbraw/zinc/56/07/47/902560747.db2.gz HAISOVFXWUVLOS-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001402910203 902560756 /nfs/dbraw/zinc/56/07/56/902560756.db2.gz HAISOVFXWUVLOS-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001402910203 902560761 /nfs/dbraw/zinc/56/07/61/902560761.db2.gz HAISOVFXWUVLOS-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CC(C[NH2+]CC(=O)N(C)C)C1 ZINC001402942311 902570450 /nfs/dbraw/zinc/57/04/50/902570450.db2.gz NALJQPOXLZNDDI-UHFFFAOYSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001402995383 902588594 /nfs/dbraw/zinc/58/85/94/902588594.db2.gz GWIDKGJNOOXFHU-ZJUUUORDSA-N 2 1 270.377 -0.561 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001403032706 902597159 /nfs/dbraw/zinc/59/71/59/902597159.db2.gz JHGRJCFVOFIEMD-NWDGAFQWSA-N 2 1 286.420 -0.055 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC001403099316 902614417 /nfs/dbraw/zinc/61/44/17/902614417.db2.gz IZPZDGHWCQUDPJ-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001403129724 902624279 /nfs/dbraw/zinc/62/42/79/902624279.db2.gz DJUWMCSNQAKMGF-GHMZBOCLSA-N 2 1 295.387 -0.237 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001403245284 902659188 /nfs/dbraw/zinc/65/91/88/902659188.db2.gz PGEUSIFTCZZBQJ-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001403282947 902663275 /nfs/dbraw/zinc/66/32/75/902663275.db2.gz VDSUHFIVUJWVNU-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001403332413 902669445 /nfs/dbraw/zinc/66/94/45/902669445.db2.gz RGEPQAJHAMXMBL-WDEREUQCSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001403332413 902669454 /nfs/dbraw/zinc/66/94/54/902669454.db2.gz RGEPQAJHAMXMBL-WDEREUQCSA-N 2 1 284.404 -0.362 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001403438814 902689727 /nfs/dbraw/zinc/68/97/27/902689727.db2.gz NTHXTCSZHCNQDO-HAQNSBGRSA-N 2 1 293.371 -0.578 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403466595 902695386 /nfs/dbraw/zinc/69/53/86/902695386.db2.gz JWAAFJPACUSAPM-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001403522089 902713340 /nfs/dbraw/zinc/71/33/40/902713340.db2.gz HRTROESBKNVAGK-NEPJUHHUSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001403522089 902713354 /nfs/dbraw/zinc/71/33/54/902713354.db2.gz HRTROESBKNVAGK-NEPJUHHUSA-N 2 1 294.403 -0.154 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403534124 902716353 /nfs/dbraw/zinc/71/63/53/902716353.db2.gz UBFAQYIKDFIONV-NEPJUHHUSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H]1CCCNC1=O ZINC001403659916 902784008 /nfs/dbraw/zinc/78/40/08/902784008.db2.gz MTWUIUSGDVCCTO-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H]1CCCNC1=O ZINC001403659916 902784017 /nfs/dbraw/zinc/78/40/17/902784017.db2.gz MTWUIUSGDVCCTO-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2 ZINC001403766409 902842611 /nfs/dbraw/zinc/84/26/11/902842611.db2.gz FXPUEUTTWWQUKP-WFASDCNBSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CC(N)=O)CC2 ZINC001403766409 902842574 /nfs/dbraw/zinc/84/25/74/902842574.db2.gz FXPUEUTTWWQUKP-WFASDCNBSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CC(N)=O)CC2 ZINC001403766409 902842584 /nfs/dbraw/zinc/84/25/84/902842584.db2.gz FXPUEUTTWWQUKP-WFASDCNBSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2 ZINC001403766409 902842597 /nfs/dbraw/zinc/84/25/97/902842597.db2.gz FXPUEUTTWWQUKP-WFASDCNBSA-N 2 1 296.415 -0.073 20 0 CBADMP CN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001403767507 902843001 /nfs/dbraw/zinc/84/30/01/902843001.db2.gz HRJPNDPUATVTEL-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001403767507 902843012 /nfs/dbraw/zinc/84/30/12/902843012.db2.gz HRJPNDPUATVTEL-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001403767507 902843017 /nfs/dbraw/zinc/84/30/17/902843017.db2.gz HRJPNDPUATVTEL-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001403767507 902843020 /nfs/dbraw/zinc/84/30/20/902843020.db2.gz HRJPNDPUATVTEL-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CCN1CC[C@@H]([N@H+](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001403768200 902843531 /nfs/dbraw/zinc/84/35/31/902843531.db2.gz VDLPQNVCZNZZMZ-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CCN1CC[C@@H]([N@@H+](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001403768200 902843545 /nfs/dbraw/zinc/84/35/45/902843545.db2.gz VDLPQNVCZNZZMZ-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001403817309 902856569 /nfs/dbraw/zinc/85/65/69/902856569.db2.gz PCDDSSROJGXBCP-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2)[NH+](C)C ZINC001403823331 902861019 /nfs/dbraw/zinc/86/10/19/902861019.db2.gz PXKJNEJSLQZVSS-TYNCELHUSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2)[NH+](C)C ZINC001403823331 902861029 /nfs/dbraw/zinc/86/10/29/902861029.db2.gz PXKJNEJSLQZVSS-TYNCELHUSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(=O)NC ZINC001403919829 902906692 /nfs/dbraw/zinc/90/66/92/902906692.db2.gz DSSJCCSKPJDTAU-UHFFFAOYSA-N 2 1 282.388 -0.734 20 0 CBADMP CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(=O)NC ZINC001403919829 902906711 /nfs/dbraw/zinc/90/67/11/902906711.db2.gz DSSJCCSKPJDTAU-UHFFFAOYSA-N 2 1 282.388 -0.734 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)[C@H](C)C(=O)NC ZINC001403939995 902910876 /nfs/dbraw/zinc/91/08/76/902910876.db2.gz MVWCCGKXUPFQSQ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)Cc1[nH]cnc1C ZINC001403939180 902911263 /nfs/dbraw/zinc/91/12/63/902911263.db2.gz IGYUZJYCMOLWFY-GFCCVEGCSA-N 2 1 295.387 -0.037 20 0 CBADMP CC[C@H](C(N)=O)N(CC)CCNC(=O)Cc1[nH]cnc1C ZINC001403939180 902911275 /nfs/dbraw/zinc/91/12/75/902911275.db2.gz IGYUZJYCMOLWFY-GFCCVEGCSA-N 2 1 295.387 -0.037 20 0 CBADMP CCN1CCO[C@@H](C(=O)NCC[N@@H+](CC)C[C@H](C)O)C1 ZINC001403949910 902911881 /nfs/dbraw/zinc/91/18/81/902911881.db2.gz OMBYTDPTIFUDDQ-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)C[C@H](C)O ZINC001403949910 902911893 /nfs/dbraw/zinc/91/18/93/902911893.db2.gz OMBYTDPTIFUDDQ-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)C[C@H](C)O ZINC001403949910 902911904 /nfs/dbraw/zinc/91/19/04/902911904.db2.gz OMBYTDPTIFUDDQ-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](CC)CCO1)C[C@H](C)O ZINC001403949910 902911913 /nfs/dbraw/zinc/91/19/13/902911913.db2.gz OMBYTDPTIFUDDQ-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C[C@H](C)O ZINC001403949910 902911918 /nfs/dbraw/zinc/91/19/18/902911918.db2.gz OMBYTDPTIFUDDQ-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCCNC1=O ZINC001403938324 902912463 /nfs/dbraw/zinc/91/24/63/902912463.db2.gz GVWPXYZVMYHSLH-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)CN1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001404019227 902926076 /nfs/dbraw/zinc/92/60/76/902926076.db2.gz GKDVFFXHJNLRLS-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001404019227 902926086 /nfs/dbraw/zinc/92/60/86/902926086.db2.gz GKDVFFXHJNLRLS-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001404019227 902926091 /nfs/dbraw/zinc/92/60/91/902926091.db2.gz GKDVFFXHJNLRLS-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001404019227 902926100 /nfs/dbraw/zinc/92/61/00/902926100.db2.gz GKDVFFXHJNLRLS-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](CCNC(=O)CC[NH+](C)C)[C@@H]1CCN(C)C1=O ZINC001404150197 902945984 /nfs/dbraw/zinc/94/59/84/902945984.db2.gz OHWCCBZXYIATAY-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001404309869 902969527 /nfs/dbraw/zinc/96/95/27/902969527.db2.gz FETCZTSXOBCZKQ-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC001404309821 902970222 /nfs/dbraw/zinc/97/02/22/902970222.db2.gz FDGJUTKEYYCPAA-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001404510320 902996028 /nfs/dbraw/zinc/99/60/28/902996028.db2.gz FDKVBXHWDCZYQX-GFCCVEGCSA-N 2 1 294.399 -0.604 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001458796907 914677542 /nfs/dbraw/zinc/67/75/42/914677542.db2.gz NKQMWVGXNXOSFA-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCCN([C@H](C)C(N)=O)C1 ZINC001404707928 903017095 /nfs/dbraw/zinc/01/70/95/903017095.db2.gz HNHSABRPJHWUDM-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001458821040 914681300 /nfs/dbraw/zinc/68/13/00/914681300.db2.gz ZAWXZTINTAOASE-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001405068277 903077713 /nfs/dbraw/zinc/07/77/13/903077713.db2.gz MQGOONODOWLOHS-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001405068277 903077723 /nfs/dbraw/zinc/07/77/23/903077723.db2.gz MQGOONODOWLOHS-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001405068277 903077726 /nfs/dbraw/zinc/07/77/26/903077726.db2.gz MQGOONODOWLOHS-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001405068277 903077727 /nfs/dbraw/zinc/07/77/27/903077727.db2.gz MQGOONODOWLOHS-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(C(=O)CC[NH+]1CCOCC1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001405136283 903088199 /nfs/dbraw/zinc/08/81/99/903088199.db2.gz ZMMNPAOBKZETGQ-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP CN(C(=O)CC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001405136283 903088209 /nfs/dbraw/zinc/08/82/09/903088209.db2.gz ZMMNPAOBKZETGQ-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001405130170 903089957 /nfs/dbraw/zinc/08/99/57/903089957.db2.gz MPQGOXCZKWZQJL-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001405130170 903089968 /nfs/dbraw/zinc/08/99/68/903089968.db2.gz MPQGOXCZKWZQJL-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001405130170 903089974 /nfs/dbraw/zinc/08/99/74/903089974.db2.gz MPQGOXCZKWZQJL-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001405130170 903089982 /nfs/dbraw/zinc/08/99/82/903089982.db2.gz MPQGOXCZKWZQJL-LBPRGKRZSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001405124431 903090208 /nfs/dbraw/zinc/09/02/08/903090208.db2.gz NTAKJWXYOCPOJT-YPMHNXCESA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001405124431 903090220 /nfs/dbraw/zinc/09/02/20/903090220.db2.gz NTAKJWXYOCPOJT-YPMHNXCESA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001405124431 903090232 /nfs/dbraw/zinc/09/02/32/903090232.db2.gz NTAKJWXYOCPOJT-YPMHNXCESA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001405124431 903090244 /nfs/dbraw/zinc/09/02/44/903090244.db2.gz NTAKJWXYOCPOJT-YPMHNXCESA-N 2 1 296.415 -0.123 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001405130163 903090721 /nfs/dbraw/zinc/09/07/21/903090721.db2.gz MPQGOXCZKWZQJL-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001405130163 903090732 /nfs/dbraw/zinc/09/07/32/903090732.db2.gz MPQGOXCZKWZQJL-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001405130163 903090746 /nfs/dbraw/zinc/09/07/46/903090746.db2.gz MPQGOXCZKWZQJL-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001405130163 903090754 /nfs/dbraw/zinc/09/07/54/903090754.db2.gz MPQGOXCZKWZQJL-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001405332292 903147265 /nfs/dbraw/zinc/14/72/65/903147265.db2.gz HPWHPHQZYSDVNT-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001405595853 903186397 /nfs/dbraw/zinc/18/63/97/903186397.db2.gz JZIDIMQIPHUCGB-LLVKDONJSA-N 2 1 295.391 -0.758 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001405723866 903207614 /nfs/dbraw/zinc/20/76/14/903207614.db2.gz VRTZPTROMLCGPV-NWDGAFQWSA-N 2 1 286.420 -0.197 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001405716097 903209057 /nfs/dbraw/zinc/20/90/57/903209057.db2.gz HVTHDSZLDJDQJP-GFCCVEGCSA-N 2 1 296.419 -0.003 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](C[C@@H](C)O)CCO1 ZINC001405739360 903211098 /nfs/dbraw/zinc/21/10/98/903211098.db2.gz LVVZLXXVBXRVRX-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[NH+](C[C@@H](C)O)CCO1 ZINC001405739360 903211105 /nfs/dbraw/zinc/21/11/05/903211105.db2.gz LVVZLXXVBXRVRX-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001405739360 903211115 /nfs/dbraw/zinc/21/11/15/903211115.db2.gz LVVZLXXVBXRVRX-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001405739360 903211124 /nfs/dbraw/zinc/21/11/24/903211124.db2.gz LVVZLXXVBXRVRX-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001405748929 903211459 /nfs/dbraw/zinc/21/14/59/903211459.db2.gz ZUDWTOQQDPZGDB-LLVKDONJSA-N 2 1 295.387 -0.330 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001405831824 903234930 /nfs/dbraw/zinc/23/49/30/903234930.db2.gz HEOSUKFJQMGRAT-YPMHNXCESA-N 2 1 298.387 -0.365 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001405849885 903238033 /nfs/dbraw/zinc/23/80/33/903238033.db2.gz OPKGHHDLRHULQE-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001405881582 903241889 /nfs/dbraw/zinc/24/18/89/903241889.db2.gz ZNYRTQJFYDUKSQ-NSHDSACASA-N 2 1 295.387 -0.072 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C[NH2+]CC(N)=O)CC(C)C ZINC001405930232 903249225 /nfs/dbraw/zinc/24/92/25/903249225.db2.gz RASSANGUYDEONE-GFCCVEGCSA-N 2 1 295.387 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@H](C)C1 ZINC001405956468 903250215 /nfs/dbraw/zinc/25/02/15/903250215.db2.gz BFWFMYBTXPMBMV-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001406060635 903260313 /nfs/dbraw/zinc/26/03/13/903260313.db2.gz CLGINTDEQUGSLV-MNOVXSKESA-N 2 1 270.377 -0.846 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001406103920 903268330 /nfs/dbraw/zinc/26/83/30/903268330.db2.gz KZAXWLMTDYWUGF-LLVKDONJSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001406103920 903268342 /nfs/dbraw/zinc/26/83/42/903268342.db2.gz KZAXWLMTDYWUGF-LLVKDONJSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001406153528 903277493 /nfs/dbraw/zinc/27/74/93/903277493.db2.gz KKMSIAAJQVUVTD-NSHDSACASA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001406153528 903277508 /nfs/dbraw/zinc/27/75/08/903277508.db2.gz KKMSIAAJQVUVTD-NSHDSACASA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nccs2)C1 ZINC001406301447 903345346 /nfs/dbraw/zinc/34/53/46/903345346.db2.gz ZZYDRCOAYTXOEB-WDEREUQCSA-N 2 1 298.412 -0.339 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nccs2)C1 ZINC001406301447 903345359 /nfs/dbraw/zinc/34/53/59/903345359.db2.gz ZZYDRCOAYTXOEB-WDEREUQCSA-N 2 1 298.412 -0.339 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001406397264 903391612 /nfs/dbraw/zinc/39/16/12/903391612.db2.gz ARORAAAWKRAFBP-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001406397264 903391621 /nfs/dbraw/zinc/39/16/21/903391621.db2.gz ARORAAAWKRAFBP-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)C[NH+]1CCCC1 ZINC001406438362 903398434 /nfs/dbraw/zinc/39/84/34/903398434.db2.gz YBFQJPJDLMFLTH-GHMZBOCLSA-N 2 1 295.391 -0.539 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001406514737 903423713 /nfs/dbraw/zinc/42/37/13/903423713.db2.gz HMOUAQVMXPNZLQ-NWDGAFQWSA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001406514737 903423724 /nfs/dbraw/zinc/42/37/24/903423724.db2.gz HMOUAQVMXPNZLQ-NWDGAFQWSA-N 2 1 294.403 -0.014 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406561979 903433812 /nfs/dbraw/zinc/43/38/12/903433812.db2.gz ONBFDWOBWLBZIF-AAEUAGOBSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001406627528 903451556 /nfs/dbraw/zinc/45/15/56/903451556.db2.gz ATAXXXYGSHQXBC-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001406627528 903451566 /nfs/dbraw/zinc/45/15/66/903451566.db2.gz ATAXXXYGSHQXBC-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)C[NH+](C)C1CCC1 ZINC001406627528 903451540 /nfs/dbraw/zinc/45/15/40/903451540.db2.gz ATAXXXYGSHQXBC-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)C[NH+](C)C1CCC1 ZINC001406627528 903451548 /nfs/dbraw/zinc/45/15/48/903451548.db2.gz ATAXXXYGSHQXBC-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP CN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001459278342 914718735 /nfs/dbraw/zinc/71/87/35/914718735.db2.gz ROZBDUDMUZGIAX-ZDUSSCGKSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](C[N@H+](C)CCCO)NC(=O)CC[NH+]1CCOCC1 ZINC001406669082 903460749 /nfs/dbraw/zinc/46/07/49/903460749.db2.gz LANLIKGZIGWGDI-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@@H](C[N@@H+](C)CCCO)NC(=O)CC[NH+]1CCOCC1 ZINC001406669082 903460759 /nfs/dbraw/zinc/46/07/59/903460759.db2.gz LANLIKGZIGWGDI-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001406697592 903465957 /nfs/dbraw/zinc/46/59/57/903465957.db2.gz HQEPPRHWPCIPQF-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001406697592 903465963 /nfs/dbraw/zinc/46/59/63/903465963.db2.gz HQEPPRHWPCIPQF-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001406697592 903465969 /nfs/dbraw/zinc/46/59/69/903465969.db2.gz HQEPPRHWPCIPQF-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406697592 903465979 /nfs/dbraw/zinc/46/59/79/903465979.db2.gz HQEPPRHWPCIPQF-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001406697602 903466558 /nfs/dbraw/zinc/46/65/58/903466558.db2.gz HQEPPRHWPCIPQF-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001406697602 903466570 /nfs/dbraw/zinc/46/65/70/903466570.db2.gz HQEPPRHWPCIPQF-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406697602 903466579 /nfs/dbraw/zinc/46/65/79/903466579.db2.gz HQEPPRHWPCIPQF-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(C)C(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406697602 903466594 /nfs/dbraw/zinc/46/65/94/903466594.db2.gz HQEPPRHWPCIPQF-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001406796012 903479504 /nfs/dbraw/zinc/47/95/04/903479504.db2.gz WKKQKKYOLDFTHG-STQMWFEESA-N 2 1 296.415 -0.441 20 0 CBADMP O=C(CN1CCCC1)NCC1(NCc2cnon2)CC1 ZINC001407009181 903524493 /nfs/dbraw/zinc/52/44/93/903524493.db2.gz FETHTXYYVXKGEC-UHFFFAOYSA-N 2 1 279.344 -0.096 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCF)CC2)C1 ZINC001406998715 903525198 /nfs/dbraw/zinc/52/51/98/903525198.db2.gz NDAHVAJHRVEVPK-LLVKDONJSA-N 2 1 273.352 -0.085 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCF)CC2)C1 ZINC001406998715 903525208 /nfs/dbraw/zinc/52/52/08/903525208.db2.gz NDAHVAJHRVEVPK-LLVKDONJSA-N 2 1 273.352 -0.085 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001407116219 903546461 /nfs/dbraw/zinc/54/64/61/903546461.db2.gz MMVCVZVYFCKCLW-GRYCIOLGSA-N 2 1 282.388 -0.608 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001407159302 903551825 /nfs/dbraw/zinc/55/18/25/903551825.db2.gz BELGTNHVYOUXLX-NFAWXSAZSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001407159302 903551832 /nfs/dbraw/zinc/55/18/32/903551832.db2.gz BELGTNHVYOUXLX-NFAWXSAZSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001407159302 903551844 /nfs/dbraw/zinc/55/18/44/903551844.db2.gz BELGTNHVYOUXLX-NFAWXSAZSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@]1(C)CC[N@H+](CCO)C1 ZINC001407172053 903552287 /nfs/dbraw/zinc/55/22/87/903552287.db2.gz CRXNLYBTWJHARS-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001407172053 903552304 /nfs/dbraw/zinc/55/23/04/903552304.db2.gz CRXNLYBTWJHARS-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001407347241 903574169 /nfs/dbraw/zinc/57/41/69/903574169.db2.gz MJTSHZVWWCUTQU-SWLSCSKDSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](O)C[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001407347241 903574181 /nfs/dbraw/zinc/57/41/81/903574181.db2.gz MJTSHZVWWCUTQU-SWLSCSKDSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](O)C[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001407347241 903574191 /nfs/dbraw/zinc/57/41/91/903574191.db2.gz MJTSHZVWWCUTQU-SWLSCSKDSA-N 2 1 299.415 -0.596 20 0 CBADMP COCC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001407375974 903583972 /nfs/dbraw/zinc/58/39/72/903583972.db2.gz SRCDMXLKBFJSNT-CQSZACIVSA-N 2 1 296.371 -0.609 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001407375974 903583982 /nfs/dbraw/zinc/58/39/82/903583982.db2.gz SRCDMXLKBFJSNT-CQSZACIVSA-N 2 1 296.371 -0.609 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](C(C)C)C2)C1 ZINC001407377637 903584502 /nfs/dbraw/zinc/58/45/02/903584502.db2.gz RKFZTMIDMZGYLJ-UKRRQHHQSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](C(C)C)C2)C1 ZINC001407377637 903584515 /nfs/dbraw/zinc/58/45/15/903584515.db2.gz RKFZTMIDMZGYLJ-UKRRQHHQSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](C(C)C)C2)C1 ZINC001407377637 903584531 /nfs/dbraw/zinc/58/45/31/903584531.db2.gz RKFZTMIDMZGYLJ-UKRRQHHQSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@H+](C(C)C)C2)C1 ZINC001407377637 903584541 /nfs/dbraw/zinc/58/45/41/903584541.db2.gz RKFZTMIDMZGYLJ-UKRRQHHQSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1(O)CN(C[C@@H]2CCOC2)C1 ZINC001407485297 903618982 /nfs/dbraw/zinc/61/89/82/903618982.db2.gz ZOBUITJKUUBWIH-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001407485297 903618995 /nfs/dbraw/zinc/61/89/95/903618995.db2.gz ZOBUITJKUUBWIH-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001407485297 903619007 /nfs/dbraw/zinc/61/90/07/903619007.db2.gz ZOBUITJKUUBWIH-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001407537645 903624724 /nfs/dbraw/zinc/62/47/24/903624724.db2.gz HLXGWOSFHYKTNG-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001407609657 903634556 /nfs/dbraw/zinc/63/45/56/903634556.db2.gz AFSJNOUZWQGDRW-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001407816924 903662445 /nfs/dbraw/zinc/66/24/45/903662445.db2.gz CAPFPWVKLBNISK-UHFFFAOYSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001407934221 903679389 /nfs/dbraw/zinc/67/93/89/903679389.db2.gz ZXNPRNXDTIHLKY-GFCCVEGCSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC(N)=O ZINC001408155055 903720314 /nfs/dbraw/zinc/72/03/14/903720314.db2.gz FZZVKMIXDTZENV-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC(N)=O ZINC001408155055 903720319 /nfs/dbraw/zinc/72/03/19/903720319.db2.gz FZZVKMIXDTZENV-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001408213046 903732934 /nfs/dbraw/zinc/73/29/34/903732934.db2.gz RTGASCTYCBETHK-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH+](C)CC(N)=O)C1 ZINC001408357413 903757413 /nfs/dbraw/zinc/75/74/13/903757413.db2.gz PXCDUBKMRSUVKF-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH+](C)CC(N)=O)C1 ZINC001408357413 903757417 /nfs/dbraw/zinc/75/74/17/903757417.db2.gz PXCDUBKMRSUVKF-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]2C[N@H+](C)CC(N)=O)C1 ZINC001408357413 903757422 /nfs/dbraw/zinc/75/74/22/903757422.db2.gz PXCDUBKMRSUVKF-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]2C[N@@H+](C)CC(N)=O)C1 ZINC001408357413 903757428 /nfs/dbraw/zinc/75/74/28/903757428.db2.gz PXCDUBKMRSUVKF-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001408678657 903803645 /nfs/dbraw/zinc/80/36/45/903803645.db2.gz BTSDUMCTSIKABA-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)C[NH2+]CC1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001409274333 903873887 /nfs/dbraw/zinc/87/38/87/903873887.db2.gz GZFQRIUPRJPLLK-PNESKVBLSA-N 2 1 296.415 -0.441 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001409413870 903897472 /nfs/dbraw/zinc/89/74/72/903897472.db2.gz YDRFXUQPELRPBW-RYUDHWBXSA-N 2 1 295.387 -0.190 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001409425845 903904191 /nfs/dbraw/zinc/90/41/91/903904191.db2.gz LDASQBUQFKGEOC-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)[N@@H+](C)CCO ZINC001409635470 903944751 /nfs/dbraw/zinc/94/47/51/903944751.db2.gz BGYMIFFQDWFMNN-GFCCVEGCSA-N 2 1 297.403 -0.513 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001409682737 903954241 /nfs/dbraw/zinc/95/42/41/903954241.db2.gz NSXIIRMMQDXZTG-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001409701822 903964848 /nfs/dbraw/zinc/96/48/48/903964848.db2.gz YYIYYMQJDRPQPT-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001409701822 903964860 /nfs/dbraw/zinc/96/48/60/903964860.db2.gz YYIYYMQJDRPQPT-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001409701822 903964869 /nfs/dbraw/zinc/96/48/69/903964869.db2.gz YYIYYMQJDRPQPT-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001409701822 903964878 /nfs/dbraw/zinc/96/48/78/903964878.db2.gz YYIYYMQJDRPQPT-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001409958793 903988412 /nfs/dbraw/zinc/98/84/12/903988412.db2.gz AZXJXKMMEVUIKC-DGCLKSJQSA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001409958793 903988419 /nfs/dbraw/zinc/98/84/19/903988419.db2.gz AZXJXKMMEVUIKC-DGCLKSJQSA-N 2 1 296.415 -0.348 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CC[NH+](C)C ZINC001410463714 904105280 /nfs/dbraw/zinc/10/52/80/904105280.db2.gz ZFOVQOOSVMHZMS-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001410502206 904111188 /nfs/dbraw/zinc/11/11/88/904111188.db2.gz RXGVZJXTCVMYAQ-GHMZBOCLSA-N 2 1 295.391 -0.902 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001410502206 904111195 /nfs/dbraw/zinc/11/11/95/904111195.db2.gz RXGVZJXTCVMYAQ-GHMZBOCLSA-N 2 1 295.391 -0.902 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001410526857 904113078 /nfs/dbraw/zinc/11/30/78/904113078.db2.gz XUOYZWSQLFPNFI-WDEREUQCSA-N 2 1 272.393 -0.363 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001410618118 904143281 /nfs/dbraw/zinc/14/32/81/904143281.db2.gz GVRCFPINJQMITA-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001410788801 904187068 /nfs/dbraw/zinc/18/70/68/904187068.db2.gz OHYXIPVWKAZKND-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001410788801 904187079 /nfs/dbraw/zinc/18/70/79/904187079.db2.gz OHYXIPVWKAZKND-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001411042746 904228287 /nfs/dbraw/zinc/22/82/87/904228287.db2.gz LXWUMPZKAAEDQH-WCQYABFASA-N 2 1 287.404 -0.740 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)CC1 ZINC001460967327 914839123 /nfs/dbraw/zinc/83/91/23/914839123.db2.gz QWOZVNRCUZBNLB-KGLIPLIRSA-N 2 1 299.415 -0.927 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H](CO)[C@H](CCO)C2)CC1 ZINC001460967327 914839141 /nfs/dbraw/zinc/83/91/41/914839141.db2.gz QWOZVNRCUZBNLB-KGLIPLIRSA-N 2 1 299.415 -0.927 20 0 CBADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC001412835619 904749514 /nfs/dbraw/zinc/74/95/14/904749514.db2.gz FLVABWHUHQMBTM-ZFWWWQNUSA-N 2 1 298.431 -0.805 20 0 CBADMP COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCn1ccnc1 ZINC001413998576 905304790 /nfs/dbraw/zinc/30/47/90/905304790.db2.gz HTBKNHDUJASEAE-LLVKDONJSA-N 2 1 280.328 -0.363 20 0 CBADMP COC(=O)CNC(=O)[C@H]1CCCN1CCn1ccnc1 ZINC001413998576 905304802 /nfs/dbraw/zinc/30/48/02/905304802.db2.gz HTBKNHDUJASEAE-LLVKDONJSA-N 2 1 280.328 -0.363 20 0 CBADMP CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1)[NH+](C)C ZINC001416030292 905694372 /nfs/dbraw/zinc/69/43/72/905694372.db2.gz UFVGMKOSDLAEOW-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001417781545 906051102 /nfs/dbraw/zinc/05/11/02/906051102.db2.gz RCCDOZNCXDJAAF-UPJWGTAASA-N 2 1 296.415 -0.489 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](CC(=O)NC)CC1 ZINC001417904071 906100381 /nfs/dbraw/zinc/10/03/81/906100381.db2.gz CZQQYVVOGYCCIN-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+](CC(=O)NC)CC1 ZINC001417904071 906100388 /nfs/dbraw/zinc/10/03/88/906100388.db2.gz CZQQYVVOGYCCIN-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC(=O)N(C)C)C1 ZINC001417917893 906105208 /nfs/dbraw/zinc/10/52/08/906105208.db2.gz OMDHETHYTHCKPI-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC(=O)N(C)C)C1 ZINC001417917893 906105213 /nfs/dbraw/zinc/10/52/13/906105213.db2.gz OMDHETHYTHCKPI-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001417917893 906105219 /nfs/dbraw/zinc/10/52/19/906105219.db2.gz OMDHETHYTHCKPI-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001417917893 906105225 /nfs/dbraw/zinc/10/52/25/906105225.db2.gz OMDHETHYTHCKPI-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC(=O)N(C)C)C1 ZINC001417917896 906106241 /nfs/dbraw/zinc/10/62/41/906106241.db2.gz OMDHETHYTHCKPI-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC(=O)N(C)C)C1 ZINC001417917896 906106249 /nfs/dbraw/zinc/10/62/49/906106249.db2.gz OMDHETHYTHCKPI-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001417917896 906106260 /nfs/dbraw/zinc/10/62/60/906106260.db2.gz OMDHETHYTHCKPI-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001417917896 906106270 /nfs/dbraw/zinc/10/62/70/906106270.db2.gz OMDHETHYTHCKPI-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCN2CCN(CCF)CC2)C1 ZINC001417928706 906110336 /nfs/dbraw/zinc/11/03/36/906110336.db2.gz LTAHOJVVALERLZ-CYBMUJFWSA-N 2 1 286.395 -0.359 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001418046026 906145860 /nfs/dbraw/zinc/14/58/60/906145860.db2.gz RBFQWTWXCCDJTA-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)OC)C2)C1 ZINC001418077007 906159868 /nfs/dbraw/zinc/15/98/68/906159868.db2.gz SNDUYLQWTAMBTR-AAVRWANBSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)OC)C2)C1 ZINC001418077007 906159874 /nfs/dbraw/zinc/15/98/74/906159874.db2.gz SNDUYLQWTAMBTR-AAVRWANBSA-N 2 1 299.415 -0.021 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001418090366 906165009 /nfs/dbraw/zinc/16/50/09/906165009.db2.gz XHNUSVMJLVKEHP-GRYCIOLGSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)COC)C2)C1 ZINC001418110951 906173273 /nfs/dbraw/zinc/17/32/73/906173273.db2.gz FJIXALWOZCGHBD-MQYQWHSLSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)COC)C2)C1 ZINC001418110951 906173278 /nfs/dbraw/zinc/17/32/78/906173278.db2.gz FJIXALWOZCGHBD-MQYQWHSLSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001418106100 906173353 /nfs/dbraw/zinc/17/33/53/906173353.db2.gz BNFOFHLIOZECEP-BETUJISGSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001418170279 906184319 /nfs/dbraw/zinc/18/43/19/906184319.db2.gz OIFDDIYCVSWYQU-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001418296909 906266959 /nfs/dbraw/zinc/26/69/59/906266959.db2.gz CHTPHZGXSNRAGC-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001418314125 906279075 /nfs/dbraw/zinc/27/90/75/906279075.db2.gz RGYDKIOAFOJCOK-MNOVXSKESA-N 2 1 272.393 -0.445 20 0 CBADMP C[C@@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001418414683 906310992 /nfs/dbraw/zinc/31/09/92/906310992.db2.gz KITNRBUSJSHSBF-NSHDSACASA-N 2 1 286.420 -0.066 20 0 CBADMP C[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001418414679 906311257 /nfs/dbraw/zinc/31/12/57/906311257.db2.gz KITNRBUSJSHSBF-LLVKDONJSA-N 2 1 286.420 -0.066 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418432247 906320148 /nfs/dbraw/zinc/32/01/48/906320148.db2.gz HZHGAFHSNQORND-MNOVXSKESA-N 2 1 270.377 -0.832 20 0 CBADMP C[C@H](C(N)=O)N(C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001418471967 906351261 /nfs/dbraw/zinc/35/12/61/906351261.db2.gz XEJZOYBURRURAH-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001418471967 906351269 /nfs/dbraw/zinc/35/12/69/906351269.db2.gz XEJZOYBURRURAH-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001418471967 906351283 /nfs/dbraw/zinc/35/12/83/906351283.db2.gz XEJZOYBURRURAH-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001418471967 906351293 /nfs/dbraw/zinc/35/12/93/906351293.db2.gz XEJZOYBURRURAH-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001418471967 906351305 /nfs/dbraw/zinc/35/13/05/906351305.db2.gz XEJZOYBURRURAH-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418494247 906365333 /nfs/dbraw/zinc/36/53/33/906365333.db2.gz MFVUHFZIIFVUBW-CYBMUJFWSA-N 2 1 287.404 -0.617 20 0 CBADMP CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)CC(N)=O ZINC001418566102 906410347 /nfs/dbraw/zinc/41/03/47/906410347.db2.gz JBDMMYBOBOXURR-UHFFFAOYSA-N 2 1 270.377 -0.748 20 0 CBADMP CC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CC1)CC(N)=O ZINC001418566102 906410355 /nfs/dbraw/zinc/41/03/55/906410355.db2.gz JBDMMYBOBOXURR-UHFFFAOYSA-N 2 1 270.377 -0.748 20 0 CBADMP CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001418577215 906416020 /nfs/dbraw/zinc/41/60/20/906416020.db2.gz YLDZXHVUMYVANM-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001418577215 906416032 /nfs/dbraw/zinc/41/60/32/906416032.db2.gz YLDZXHVUMYVANM-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001418577215 906416050 /nfs/dbraw/zinc/41/60/50/906416050.db2.gz YLDZXHVUMYVANM-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418577215 906416061 /nfs/dbraw/zinc/41/60/61/906416061.db2.gz YLDZXHVUMYVANM-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCC[N@H+]1CCO ZINC001418619769 906428850 /nfs/dbraw/zinc/42/88/50/906428850.db2.gz FERHPGJZNZOJHF-ZDUSSCGKSA-N 2 1 285.388 -0.718 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCC[N@@H+]1CCO ZINC001418619769 906428855 /nfs/dbraw/zinc/42/88/55/906428855.db2.gz FERHPGJZNZOJHF-ZDUSSCGKSA-N 2 1 285.388 -0.718 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001418629635 906434500 /nfs/dbraw/zinc/43/45/00/906434500.db2.gz KPAGODZNURUSFH-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418674535 906441895 /nfs/dbraw/zinc/44/18/95/906441895.db2.gz NBECXNFZYCJEBL-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001418691380 906450518 /nfs/dbraw/zinc/45/05/18/906450518.db2.gz ALIDVPVBSPUORG-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CN(C)C(=O)CN1CC[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC001418715006 906453929 /nfs/dbraw/zinc/45/39/29/906453929.db2.gz YUVGDXLQEWCTSO-LBPRGKRZSA-N 2 1 293.371 -0.591 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)C(N)=O ZINC001418728019 906459823 /nfs/dbraw/zinc/45/98/23/906459823.db2.gz CKHPTIGQPFPFAV-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)C(N)=O ZINC001418728019 906459830 /nfs/dbraw/zinc/45/98/30/906459830.db2.gz CKHPTIGQPFPFAV-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)C(N)=O ZINC001418728019 906459835 /nfs/dbraw/zinc/45/98/35/906459835.db2.gz CKHPTIGQPFPFAV-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001418813216 906485803 /nfs/dbraw/zinc/48/58/03/906485803.db2.gz VAALKZVFFKBJQC-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001418825946 906487944 /nfs/dbraw/zinc/48/79/44/906487944.db2.gz IKJBGMBRCPQHTR-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001418831910 906490440 /nfs/dbraw/zinc/49/04/40/906490440.db2.gz PQXBKZQZNHPPMV-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001418821636 906490992 /nfs/dbraw/zinc/49/09/92/906490992.db2.gz RRVFYNKIJIUALT-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001418836233 906495568 /nfs/dbraw/zinc/49/55/68/906495568.db2.gz YHLTXGKCENAMAZ-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001418915793 906516468 /nfs/dbraw/zinc/51/64/68/906516468.db2.gz BCEYQHVVMJABTM-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001418915793 906516480 /nfs/dbraw/zinc/51/64/80/906516480.db2.gz BCEYQHVVMJABTM-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001418915793 906516487 /nfs/dbraw/zinc/51/64/87/906516487.db2.gz BCEYQHVVMJABTM-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001418915793 906516496 /nfs/dbraw/zinc/51/64/96/906516496.db2.gz BCEYQHVVMJABTM-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[C@@H](C(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1)[NH+](C)C ZINC001419034384 906569230 /nfs/dbraw/zinc/56/92/30/906569230.db2.gz ADCQTVHIFMCUSC-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001419105048 906597848 /nfs/dbraw/zinc/59/78/48/906597848.db2.gz DYXFGUDMTOAKLS-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001419105048 906597851 /nfs/dbraw/zinc/59/78/51/906597851.db2.gz DYXFGUDMTOAKLS-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001419121532 906600222 /nfs/dbraw/zinc/60/02/22/906600222.db2.gz LWFYADHUAOTUOW-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001419121532 906600228 /nfs/dbraw/zinc/60/02/28/906600228.db2.gz LWFYADHUAOTUOW-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001419138538 906606442 /nfs/dbraw/zinc/60/64/42/906606442.db2.gz JOAXTPLBWSOQSM-JSGCOSHPSA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001419138538 906606450 /nfs/dbraw/zinc/60/64/50/906606450.db2.gz JOAXTPLBWSOQSM-JSGCOSHPSA-N 2 1 298.431 -0.149 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001419173065 906626547 /nfs/dbraw/zinc/62/65/47/906626547.db2.gz DGLOVVDJVDCBNO-NEPJUHHUSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001419173065 906626554 /nfs/dbraw/zinc/62/65/54/906626554.db2.gz DGLOVVDJVDCBNO-NEPJUHHUSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001419176140 906628028 /nfs/dbraw/zinc/62/80/28/906628028.db2.gz HWGFUSUQFZFMIM-YPMHNXCESA-N 2 1 294.403 -0.106 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CCO)C2CC2)C1 ZINC001419315657 906662843 /nfs/dbraw/zinc/66/28/43/906662843.db2.gz BWYLTGBZXBRMTF-STQMWFEESA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CCO)C2CC2)C1 ZINC001419315657 906662849 /nfs/dbraw/zinc/66/28/49/906662849.db2.gz BWYLTGBZXBRMTF-STQMWFEESA-N 2 1 285.388 -0.816 20 0 CBADMP CCn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001419420465 906683095 /nfs/dbraw/zinc/68/30/95/906683095.db2.gz XRIMKENYXDECLZ-HAQNSBGRSA-N 2 1 294.403 -0.014 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]CC(=O)N(C)C ZINC001419490126 906705209 /nfs/dbraw/zinc/70/52/09/906705209.db2.gz YFRGUXYMZGWPEW-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001419504227 906708554 /nfs/dbraw/zinc/70/85/54/906708554.db2.gz BVBTVOMOMRHSEA-TXEJJXNPSA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001419680294 906763678 /nfs/dbraw/zinc/76/36/78/906763678.db2.gz FSSADUPVGBVBKT-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001419751089 906800755 /nfs/dbraw/zinc/80/07/55/906800755.db2.gz GPCUAUGVPDYDMJ-NSHDSACASA-N 2 1 297.407 -0.512 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001419751089 906800779 /nfs/dbraw/zinc/80/07/79/906800779.db2.gz GPCUAUGVPDYDMJ-NSHDSACASA-N 2 1 297.407 -0.512 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001419765936 906807374 /nfs/dbraw/zinc/80/73/74/906807374.db2.gz AJSRXYIOJPMFID-QWHCGFSZSA-N 2 1 294.403 -0.143 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001419848571 906833424 /nfs/dbraw/zinc/83/34/24/906833424.db2.gz JQIGSPMCXPRKIY-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+][C@@H](C)C(N)=O ZINC001419857482 906837130 /nfs/dbraw/zinc/83/71/30/906837130.db2.gz YFQGBSAVIMMOSC-QWRGUYRKSA-N 2 1 286.420 -0.068 20 0 CBADMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cnn(C)n1 ZINC001419900655 906848718 /nfs/dbraw/zinc/84/87/18/906848718.db2.gz NQVDDRXZCLRHHA-LLVKDONJSA-N 2 1 292.387 -0.495 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C ZINC001419928758 906865621 /nfs/dbraw/zinc/86/56/21/906865621.db2.gz ANHFAYMAEITUBZ-LLVKDONJSA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C ZINC001419928758 906865623 /nfs/dbraw/zinc/86/56/23/906865623.db2.gz ANHFAYMAEITUBZ-LLVKDONJSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001419964331 906873858 /nfs/dbraw/zinc/87/38/58/906873858.db2.gz AMPUMHVNJLISCE-GRYCIOLGSA-N 2 1 284.404 -0.409 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001419964331 906873867 /nfs/dbraw/zinc/87/38/67/906873867.db2.gz AMPUMHVNJLISCE-GRYCIOLGSA-N 2 1 284.404 -0.409 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001419964331 906873883 /nfs/dbraw/zinc/87/38/83/906873883.db2.gz AMPUMHVNJLISCE-GRYCIOLGSA-N 2 1 284.404 -0.409 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001419964331 906873898 /nfs/dbraw/zinc/87/38/98/906873898.db2.gz AMPUMHVNJLISCE-GRYCIOLGSA-N 2 1 284.404 -0.409 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001419957583 906874475 /nfs/dbraw/zinc/87/44/75/906874475.db2.gz JAPQDLCCTQSKRK-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001419990529 906888669 /nfs/dbraw/zinc/88/86/69/906888669.db2.gz JTNUYBGCBNYNNG-LBPRGKRZSA-N 2 1 298.431 -0.112 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001419990526 906888878 /nfs/dbraw/zinc/88/88/78/906888878.db2.gz JTNUYBGCBNYNNG-GFCCVEGCSA-N 2 1 298.431 -0.112 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001420005464 906893715 /nfs/dbraw/zinc/89/37/15/906893715.db2.gz GQCRRDVADIUDFP-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC(=O)NC)C1 ZINC001420042506 906906618 /nfs/dbraw/zinc/90/66/18/906906618.db2.gz QESGCKSVKVIKQF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC(=O)NC)C1 ZINC001420042506 906906635 /nfs/dbraw/zinc/90/66/35/906906635.db2.gz QESGCKSVKVIKQF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)CC(=O)NC)C1 ZINC001420042506 906906649 /nfs/dbraw/zinc/90/66/49/906906649.db2.gz QESGCKSVKVIKQF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NC)C1 ZINC001420042506 906906663 /nfs/dbraw/zinc/90/66/63/906906663.db2.gz QESGCKSVKVIKQF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP Cc1conc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420190265 907000188 /nfs/dbraw/zinc/00/01/88/907000188.db2.gz LQIMGZDFXVKIDD-NEPJUHHUSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1conc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420190265 907000208 /nfs/dbraw/zinc/00/02/08/907000208.db2.gz LQIMGZDFXVKIDD-NEPJUHHUSA-N 2 1 296.371 -0.499 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccns2)C1 ZINC001420187527 907002063 /nfs/dbraw/zinc/00/20/63/907002063.db2.gz FQUXOWIMQRZTHO-WDEREUQCSA-N 2 1 298.412 -0.339 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@@H]1CCOC1 ZINC001420195897 907007240 /nfs/dbraw/zinc/00/72/40/907007240.db2.gz MGCAVAHPTNZCCG-QWHCGFSZSA-N 2 1 285.388 -0.599 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@@H]1CCOC1 ZINC001420195897 907007259 /nfs/dbraw/zinc/00/72/59/907007259.db2.gz MGCAVAHPTNZCCG-QWHCGFSZSA-N 2 1 285.388 -0.599 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C[C@@H]1CCOC1 ZINC001420195897 907007281 /nfs/dbraw/zinc/00/72/81/907007281.db2.gz MGCAVAHPTNZCCG-QWHCGFSZSA-N 2 1 285.388 -0.599 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C[C@@H]1CCOC1 ZINC001420195897 907007302 /nfs/dbraw/zinc/00/73/02/907007302.db2.gz MGCAVAHPTNZCCG-QWHCGFSZSA-N 2 1 285.388 -0.599 20 0 CBADMP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C)on1 ZINC001420206481 907013789 /nfs/dbraw/zinc/01/37/89/907013789.db2.gz AZFCISHJLKJHLP-LBPRGKRZSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C)on1 ZINC001420206479 907016533 /nfs/dbraw/zinc/01/65/33/907016533.db2.gz AZFCISHJLKJHLP-GFCCVEGCSA-N 2 1 298.387 -0.110 20 0 CBADMP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)Cn1c[nH+]cc1C ZINC001420237463 907037705 /nfs/dbraw/zinc/03/77/05/907037705.db2.gz DPNUHPRWTKXJIX-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001420241551 907038586 /nfs/dbraw/zinc/03/85/86/907038586.db2.gz IFQZOLOFRCPNDE-GHMZBOCLSA-N 2 1 295.387 -0.190 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(CC)CC[NH2+][C@H]1CCNC1=O ZINC001420246116 907042479 /nfs/dbraw/zinc/04/24/79/907042479.db2.gz RJKPGEHPQUZXMV-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC(C)N1CC[C@H]([N@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001420291651 907076826 /nfs/dbraw/zinc/07/68/26/907076826.db2.gz UKYPRKYUJMOYQX-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)N1CC[C@H]([N@@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001420291651 907076836 /nfs/dbraw/zinc/07/68/36/907076836.db2.gz UKYPRKYUJMOYQX-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001420297752 907080018 /nfs/dbraw/zinc/08/00/18/907080018.db2.gz VXCBJAPJSOXYPC-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@H](O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001420297752 907080033 /nfs/dbraw/zinc/08/00/33/907080033.db2.gz VXCBJAPJSOXYPC-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@H](O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001420297752 907080051 /nfs/dbraw/zinc/08/00/51/907080051.db2.gz VXCBJAPJSOXYPC-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001420298002 907087573 /nfs/dbraw/zinc/08/75/73/907087573.db2.gz FRKDMYSFIMVDBI-LLVKDONJSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CCC[NH+](C)C ZINC001420335960 907108918 /nfs/dbraw/zinc/10/89/18/907108918.db2.gz XNLWOHLTEZXJEZ-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)C(=O)N(C)C ZINC001420356336 907118022 /nfs/dbraw/zinc/11/80/22/907118022.db2.gz GEVRGYPMSKHGHK-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)C(=O)N(C)C ZINC001420356336 907118028 /nfs/dbraw/zinc/11/80/28/907118028.db2.gz GEVRGYPMSKHGHK-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001420356336 907118037 /nfs/dbraw/zinc/11/80/37/907118037.db2.gz GEVRGYPMSKHGHK-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001420356336 907118045 /nfs/dbraw/zinc/11/80/45/907118045.db2.gz GEVRGYPMSKHGHK-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC ZINC001420376419 907129819 /nfs/dbraw/zinc/12/98/19/907129819.db2.gz JWGYPFPTPFFRMM-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001420433130 907158912 /nfs/dbraw/zinc/15/89/12/907158912.db2.gz CRFPFJIIZZTQNG-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCNC1=O ZINC001420433130 907158919 /nfs/dbraw/zinc/15/89/19/907158919.db2.gz CRFPFJIIZZTQNG-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC001420433130 907158924 /nfs/dbraw/zinc/15/89/24/907158924.db2.gz CRFPFJIIZZTQNG-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001420449439 907163410 /nfs/dbraw/zinc/16/34/10/907163410.db2.gz UFLDCKBUBWQSNF-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCNC1=O ZINC001420449439 907163418 /nfs/dbraw/zinc/16/34/18/907163418.db2.gz UFLDCKBUBWQSNF-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC001420449439 907163422 /nfs/dbraw/zinc/16/34/22/907163422.db2.gz UFLDCKBUBWQSNF-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H](C)C(N)=O ZINC001420445900 907164547 /nfs/dbraw/zinc/16/45/47/907164547.db2.gz ZKJSSUJWZMWNIM-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H](C)C(N)=O ZINC001420445900 907164541 /nfs/dbraw/zinc/16/45/41/907164541.db2.gz ZKJSSUJWZMWNIM-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CNC(=O)CN1CCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001420472587 907173630 /nfs/dbraw/zinc/17/36/30/907173630.db2.gz XXWMPVHNRBRGMR-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP C[C@H](C[N@@H+](C)CCn1cncn1)NC(=O)[C@H]1CCC[NH+]1C ZINC001420539487 907205723 /nfs/dbraw/zinc/20/57/23/907205723.db2.gz NCIKCDUYKSJMFM-CHWSQXEVSA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@H](C[NH+](C)CCn1cncn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001420539487 907205741 /nfs/dbraw/zinc/20/57/41/907205741.db2.gz NCIKCDUYKSJMFM-CHWSQXEVSA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@H](C[NH+](C)CCn1cncn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001420539487 907205760 /nfs/dbraw/zinc/20/57/60/907205760.db2.gz NCIKCDUYKSJMFM-CHWSQXEVSA-N 2 1 294.403 -0.191 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@@H](C)O ZINC001420579442 907222484 /nfs/dbraw/zinc/22/24/84/907222484.db2.gz VXUOHZMLKIESPF-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@@H](C)O ZINC001420579442 907222503 /nfs/dbraw/zinc/22/25/03/907222503.db2.gz VXUOHZMLKIESPF-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C[C@@H](C)O ZINC001420579442 907222516 /nfs/dbraw/zinc/22/25/16/907222516.db2.gz VXUOHZMLKIESPF-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@@H](C)O ZINC001420579442 907222535 /nfs/dbraw/zinc/22/25/35/907222535.db2.gz VXUOHZMLKIESPF-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001420613303 907237981 /nfs/dbraw/zinc/23/79/81/907237981.db2.gz FLUNEMPSWAKTBJ-AAEUAGOBSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001420613303 907237997 /nfs/dbraw/zinc/23/79/97/907237997.db2.gz FLUNEMPSWAKTBJ-AAEUAGOBSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C[N@@H+](C)CCn1cncn1)NC(=O)CC[NH+](C)C ZINC001420615816 907242460 /nfs/dbraw/zinc/24/24/60/907242460.db2.gz IZFGKWMSMLQWOT-LBPRGKRZSA-N 2 1 282.392 -0.334 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001420738034 907287976 /nfs/dbraw/zinc/28/79/76/907287976.db2.gz CTFMNTGCJOIVLV-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP Cn1ncc(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CC2)n1 ZINC001420763314 907292394 /nfs/dbraw/zinc/29/23/94/907292394.db2.gz TXFTXCOXNWLOMG-CYBMUJFWSA-N 2 1 294.403 -0.249 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001420745946 907293411 /nfs/dbraw/zinc/29/34/11/907293411.db2.gz HKNHTWSZDYZWMY-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)CC1 ZINC001420786200 907298708 /nfs/dbraw/zinc/29/87/08/907298708.db2.gz JVBJSNBTMTWCBK-BETUJISGSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+](C)C1(C(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)CCC1 ZINC001420855825 907327213 /nfs/dbraw/zinc/32/72/13/907327213.db2.gz HRQOAYOTUHKYNH-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001420937953 907366333 /nfs/dbraw/zinc/36/63/33/907366333.db2.gz GKIBGBNJELZMEP-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP Cn1ncnc1CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001421000761 907384344 /nfs/dbraw/zinc/38/43/44/907384344.db2.gz FNLQZBNTEICFDN-NSHDSACASA-N 2 1 292.387 -0.495 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001420995145 907385804 /nfs/dbraw/zinc/38/58/04/907385804.db2.gz ODNCYMNRQSPAFF-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001502017565 921319978 /nfs/dbraw/zinc/31/99/78/921319978.db2.gz OKWKYCVKNYUFSW-LBPRGKRZSA-N 2 1 269.389 -0.051 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC(=O)N3CCC3)CC2)C1 ZINC001421006232 907390783 /nfs/dbraw/zinc/39/07/83/907390783.db2.gz YKJGBUHLBJVDIG-GFCCVEGCSA-N 2 1 294.399 -0.591 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1 ZINC001421007153 907393395 /nfs/dbraw/zinc/39/33/95/907393395.db2.gz VUHYMZYCWNNJKP-NEPJUHHUSA-N 2 1 296.415 -0.027 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001421097040 907426498 /nfs/dbraw/zinc/42/64/98/907426498.db2.gz AATIGKJFBOQUSY-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(N)=O ZINC001421117087 907435474 /nfs/dbraw/zinc/43/54/74/907435474.db2.gz OSAQBBTZQYFXEY-NWDGAFQWSA-N 2 1 293.371 -0.354 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001421194366 907458426 /nfs/dbraw/zinc/45/84/26/907458426.db2.gz SYPJTQZQXWUETM-CYBMUJFWSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001421194366 907458431 /nfs/dbraw/zinc/45/84/31/907458431.db2.gz SYPJTQZQXWUETM-CYBMUJFWSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001421194222 907459695 /nfs/dbraw/zinc/45/96/95/907459695.db2.gz SOJWXARRMMFCJV-ZDUSSCGKSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001421194222 907459706 /nfs/dbraw/zinc/45/97/06/907459706.db2.gz SOJWXARRMMFCJV-ZDUSSCGKSA-N 2 1 296.415 -0.395 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001421244287 907473079 /nfs/dbraw/zinc/47/30/79/907473079.db2.gz BRODZRFFZHFDGE-MELADBBJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001421244287 907473087 /nfs/dbraw/zinc/47/30/87/907473087.db2.gz BRODZRFFZHFDGE-MELADBBJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001421244287 907473096 /nfs/dbraw/zinc/47/30/96/907473096.db2.gz BRODZRFFZHFDGE-MELADBBJSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC001421245401 907473297 /nfs/dbraw/zinc/47/32/97/907473297.db2.gz JTOPARPGUHBYGQ-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC001421245401 907473299 /nfs/dbraw/zinc/47/32/99/907473299.db2.gz JTOPARPGUHBYGQ-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001421245401 907473304 /nfs/dbraw/zinc/47/33/04/907473304.db2.gz JTOPARPGUHBYGQ-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001421245401 907473307 /nfs/dbraw/zinc/47/33/07/907473307.db2.gz JTOPARPGUHBYGQ-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001421257106 907474909 /nfs/dbraw/zinc/47/49/09/907474909.db2.gz VBVYCYXEQOGOSG-SWLSCSKDSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001421257110 907475495 /nfs/dbraw/zinc/47/54/95/907475495.db2.gz VBVYCYXEQOGOSG-WFASDCNBSA-N 2 1 296.415 -0.488 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001421356389 907506611 /nfs/dbraw/zinc/50/66/11/907506611.db2.gz ZHBGFFKCDCJYNA-ZFWWWQNUSA-N 2 1 299.415 -0.596 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001421356389 907506628 /nfs/dbraw/zinc/50/66/28/907506628.db2.gz ZHBGFFKCDCJYNA-ZFWWWQNUSA-N 2 1 299.415 -0.596 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001421356389 907506639 /nfs/dbraw/zinc/50/66/39/907506639.db2.gz ZHBGFFKCDCJYNA-ZFWWWQNUSA-N 2 1 299.415 -0.596 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)[NH+](C)C ZINC001421379587 907514082 /nfs/dbraw/zinc/51/40/82/907514082.db2.gz RSASDRVJVZIADP-OCCSQVGLSA-N 2 1 287.404 -0.882 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CCF)C1 ZINC001421391271 907520786 /nfs/dbraw/zinc/52/07/86/907520786.db2.gz GWEFAZIQCOUUCN-ZDUSSCGKSA-N 2 1 275.368 -0.149 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CCF)C1 ZINC001421391271 907520808 /nfs/dbraw/zinc/52/08/08/907520808.db2.gz GWEFAZIQCOUUCN-ZDUSSCGKSA-N 2 1 275.368 -0.149 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001421391271 907520823 /nfs/dbraw/zinc/52/08/23/907520823.db2.gz GWEFAZIQCOUUCN-ZDUSSCGKSA-N 2 1 275.368 -0.149 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001421391271 907520830 /nfs/dbraw/zinc/52/08/30/907520830.db2.gz GWEFAZIQCOUUCN-ZDUSSCGKSA-N 2 1 275.368 -0.149 20 0 CBADMP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001421393340 907521223 /nfs/dbraw/zinc/52/12/23/907521223.db2.gz RZFZELYYXRPEPQ-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001421421377 907538642 /nfs/dbraw/zinc/53/86/42/907538642.db2.gz KFNPEGZJWPUKCA-WCQYABFASA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001421421382 907539348 /nfs/dbraw/zinc/53/93/48/907539348.db2.gz KFNPEGZJWPUKCA-YPMHNXCESA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(C)C ZINC001421488413 907568254 /nfs/dbraw/zinc/56/82/54/907568254.db2.gz INLUGEGNBPTXBD-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@H](C)C(=O)NC ZINC001421503462 907568934 /nfs/dbraw/zinc/56/89/34/907568934.db2.gz UFBXMCLWYWHJAI-VXGBXAGGSA-N 2 1 286.420 -0.055 20 0 CBADMP CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001421736240 907628292 /nfs/dbraw/zinc/62/82/92/907628292.db2.gz MZCGWJCGLUIPLG-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCC1 ZINC001421749960 907633015 /nfs/dbraw/zinc/63/30/15/907633015.db2.gz KBTRUUXVKOOLFJ-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001421759607 907635541 /nfs/dbraw/zinc/63/55/41/907635541.db2.gz OMRWNQQAMCJKMM-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cnon1 ZINC001421770470 907640085 /nfs/dbraw/zinc/64/00/85/907640085.db2.gz OGUGXKPHEXERDD-GHMZBOCLSA-N 2 1 281.360 -0.137 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001502135093 921341929 /nfs/dbraw/zinc/34/19/29/921341929.db2.gz GXLCYMZUPGHYQX-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422019755 907701279 /nfs/dbraw/zinc/70/12/79/907701279.db2.gz QRYXWTDIEPSFBU-VXGBXAGGSA-N 2 1 284.404 -0.456 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)N(C)C ZINC001422128012 907720420 /nfs/dbraw/zinc/72/04/20/907720420.db2.gz OFBMZQSHEGWKAS-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CN(S(C)(=O)=O)C3)C[C@@H]2C1 ZINC001422142759 907723742 /nfs/dbraw/zinc/72/37/42/907723742.db2.gz JZANUVQEHFLALE-OLZOCXBDSA-N 2 1 287.429 -0.239 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CN(S(C)(=O)=O)C3)C[C@@H]2C1 ZINC001422142759 907723749 /nfs/dbraw/zinc/72/37/49/907723749.db2.gz JZANUVQEHFLALE-OLZOCXBDSA-N 2 1 287.429 -0.239 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CN(S(C)(=O)=O)C3)C[C@@H]2C1 ZINC001422142759 907723755 /nfs/dbraw/zinc/72/37/55/907723755.db2.gz JZANUVQEHFLALE-OLZOCXBDSA-N 2 1 287.429 -0.239 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001422175898 907739971 /nfs/dbraw/zinc/73/99/71/907739971.db2.gz PVWRTKKADMEPGC-GHMZBOCLSA-N 2 1 272.393 -0.409 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001422175898 907739981 /nfs/dbraw/zinc/73/99/81/907739981.db2.gz PVWRTKKADMEPGC-GHMZBOCLSA-N 2 1 272.393 -0.409 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)C[C@@H](C)O)C1 ZINC001422229169 907751671 /nfs/dbraw/zinc/75/16/71/907751671.db2.gz GOHZPLDOYAMOGU-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)C[C@@H](C)O)C1 ZINC001422229169 907751678 /nfs/dbraw/zinc/75/16/78/907751678.db2.gz GOHZPLDOYAMOGU-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)CC[N@H+](C)C[C@@H](C)O)C1 ZINC001422229169 907751688 /nfs/dbraw/zinc/75/16/88/907751688.db2.gz GOHZPLDOYAMOGU-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)CC[N@@H+](C)C[C@@H](C)O)C1 ZINC001422229169 907751702 /nfs/dbraw/zinc/75/17/02/907751702.db2.gz GOHZPLDOYAMOGU-OLZOCXBDSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)C[C@@H](C)O)C1 ZINC001422229165 907752240 /nfs/dbraw/zinc/75/22/40/907752240.db2.gz GOHZPLDOYAMOGU-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)C[C@@H](C)O)C1 ZINC001422229165 907752253 /nfs/dbraw/zinc/75/22/53/907752253.db2.gz GOHZPLDOYAMOGU-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)CC[N@H+](C)C[C@@H](C)O)C1 ZINC001422229165 907752261 /nfs/dbraw/zinc/75/22/61/907752261.db2.gz GOHZPLDOYAMOGU-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)CC[N@@H+](C)C[C@@H](C)O)C1 ZINC001422229165 907752273 /nfs/dbraw/zinc/75/22/73/907752273.db2.gz GOHZPLDOYAMOGU-CHWSQXEVSA-N 2 1 287.404 -0.522 20 0 CBADMP CN(C)C(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001422252415 907757276 /nfs/dbraw/zinc/75/72/76/907757276.db2.gz SUFBFSRKSXDBFW-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001422252415 907757290 /nfs/dbraw/zinc/75/72/90/907757290.db2.gz SUFBFSRKSXDBFW-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001502375688 921350602 /nfs/dbraw/zinc/35/06/02/921350602.db2.gz QIQCUINYCLSWLK-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001502375688 921350615 /nfs/dbraw/zinc/35/06/15/921350615.db2.gz QIQCUINYCLSWLK-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001422262845 907765580 /nfs/dbraw/zinc/76/55/80/907765580.db2.gz CFUACFLCBORBRK-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)CCC1 ZINC001422319165 907797995 /nfs/dbraw/zinc/79/79/95/907797995.db2.gz USHGRDDQVBBHMT-LBPRGKRZSA-N 2 1 296.371 -0.274 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)CCC1 ZINC001422319164 907799962 /nfs/dbraw/zinc/79/99/62/907799962.db2.gz USHGRDDQVBBHMT-GFCCVEGCSA-N 2 1 296.371 -0.274 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001502390454 921353438 /nfs/dbraw/zinc/35/34/38/921353438.db2.gz FJBOYROXANPQRO-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001502390454 921353446 /nfs/dbraw/zinc/35/34/46/921353446.db2.gz FJBOYROXANPQRO-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@@H](C)[NH2+]CCO ZINC001422405816 907845975 /nfs/dbraw/zinc/84/59/75/907845975.db2.gz YWDZPKKEDSRVGC-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001422414121 907847489 /nfs/dbraw/zinc/84/74/89/907847489.db2.gz XFOWXUKCSJTEER-OLZOCXBDSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1oncc1C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001422416565 907848363 /nfs/dbraw/zinc/84/83/63/907848363.db2.gz MDYYUNQODFDTQE-CYBMUJFWSA-N 2 1 298.387 -0.110 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001422454721 907869629 /nfs/dbraw/zinc/86/96/29/907869629.db2.gz QBLKOCDEEFNCDR-MNOVXSKESA-N 2 1 297.407 -0.467 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001422454721 907869646 /nfs/dbraw/zinc/86/96/46/907869646.db2.gz QBLKOCDEEFNCDR-MNOVXSKESA-N 2 1 297.407 -0.467 20 0 CBADMP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001422504214 907895072 /nfs/dbraw/zinc/89/50/72/907895072.db2.gz GGAAAMLQIXVMBT-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@H]1CCNC1=O ZINC001422548606 907920389 /nfs/dbraw/zinc/92/03/89/907920389.db2.gz DGPTZVIGPPPTSI-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCN1CC[C@H]([N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001422574758 907931438 /nfs/dbraw/zinc/93/14/38/907931438.db2.gz ZKPDWCLRPUAJDA-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422588786 907936270 /nfs/dbraw/zinc/93/62/70/907936270.db2.gz GYDNKZGAQIHHJY-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422588786 907936280 /nfs/dbraw/zinc/93/62/80/907936280.db2.gz GYDNKZGAQIHHJY-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422588646 907936424 /nfs/dbraw/zinc/93/64/24/907936424.db2.gz FXFNCEAKCNMDGR-MNOVXSKESA-N 2 1 270.377 -0.832 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001422596657 907936962 /nfs/dbraw/zinc/93/69/62/907936962.db2.gz JKVPZEXLBRVKTD-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ncnn1C ZINC001422616360 907944343 /nfs/dbraw/zinc/94/43/43/907944343.db2.gz FVARLFUXPDGILU-LLVKDONJSA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ncnn1C ZINC001422616360 907944348 /nfs/dbraw/zinc/94/43/48/907944348.db2.gz FVARLFUXPDGILU-LLVKDONJSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001422702240 907975345 /nfs/dbraw/zinc/97/53/45/907975345.db2.gz QPBXLGSJAXRZNX-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1nncn1C ZINC001422727700 907983434 /nfs/dbraw/zinc/98/34/34/907983434.db2.gz AZPLIIJCRVDMOR-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1nncn1C ZINC001422727700 907983440 /nfs/dbraw/zinc/98/34/40/907983440.db2.gz AZPLIIJCRVDMOR-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@@H](NC(=O)CCC[NH+](C)C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001422728752 907990319 /nfs/dbraw/zinc/99/03/19/907990319.db2.gz FAFARXJHVSNSCJ-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001422820780 908023851 /nfs/dbraw/zinc/02/38/51/908023851.db2.gz HQNQFHWNYYBLKW-XYYAHUGASA-N 2 1 296.415 -0.632 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001422889669 908049009 /nfs/dbraw/zinc/04/90/09/908049009.db2.gz VJJWAPNLYDFYTE-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001422912800 908057906 /nfs/dbraw/zinc/05/79/06/908057906.db2.gz HEMJKXZXLXIWNV-IJLUTSLNSA-N 2 1 282.388 -0.702 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001422917184 908059841 /nfs/dbraw/zinc/05/98/41/908059841.db2.gz KIQFASNZBIGZTD-IJLUTSLNSA-N 2 1 284.404 -0.315 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001423048066 908088597 /nfs/dbraw/zinc/08/85/97/908088597.db2.gz MHGGESOLBPNITM-NEPJUHHUSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001423048066 908088611 /nfs/dbraw/zinc/08/86/11/908088611.db2.gz MHGGESOLBPNITM-NEPJUHHUSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001423095289 908107769 /nfs/dbraw/zinc/10/77/69/908107769.db2.gz UETDRWIPTWBYNQ-NEPJUHHUSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[N@H+]1CCO ZINC001423095289 908107776 /nfs/dbraw/zinc/10/77/76/908107776.db2.gz UETDRWIPTWBYNQ-NEPJUHHUSA-N 2 1 275.368 -0.151 20 0 CBADMP CCCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423173141 908128878 /nfs/dbraw/zinc/12/88/78/908128878.db2.gz YYPPFIIDFWEQRX-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423173157 908129186 /nfs/dbraw/zinc/12/91/86/908129186.db2.gz YYPPFIIDFWEQRX-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001423188403 908141183 /nfs/dbraw/zinc/14/11/83/908141183.db2.gz HHOMIUBDAFCECQ-CHWSQXEVSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001423188403 908141187 /nfs/dbraw/zinc/14/11/87/908141187.db2.gz HHOMIUBDAFCECQ-CHWSQXEVSA-N 2 1 296.371 -0.356 20 0 CBADMP CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001423220809 908165389 /nfs/dbraw/zinc/16/53/89/908165389.db2.gz ICGHKMHNTSNYDR-VXGBXAGGSA-N 2 1 296.415 -0.299 20 0 CBADMP Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001423267888 908181304 /nfs/dbraw/zinc/18/13/04/908181304.db2.gz RWGLDSOBHHETGV-DGCLKSJQSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001423267888 908181312 /nfs/dbraw/zinc/18/13/12/908181312.db2.gz RWGLDSOBHHETGV-DGCLKSJQSA-N 2 1 296.371 -0.356 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001423317819 908201896 /nfs/dbraw/zinc/20/18/96/908201896.db2.gz KOLNHKHSLYAMAY-XQQFMLRXSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001423317819 908201915 /nfs/dbraw/zinc/20/19/15/908201915.db2.gz KOLNHKHSLYAMAY-XQQFMLRXSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CC[NH+](C)C ZINC001423354669 908211560 /nfs/dbraw/zinc/21/15/60/908211560.db2.gz NJESWJRWSCNQHR-RYUDHWBXSA-N 2 1 294.403 -0.154 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001423418359 908227131 /nfs/dbraw/zinc/22/71/31/908227131.db2.gz LYXFMGMVTGJJGD-LBPRGKRZSA-N 2 1 273.377 -0.912 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001423434086 908234189 /nfs/dbraw/zinc/23/41/89/908234189.db2.gz DCCSEHLVDVLWEF-YPMHNXCESA-N 2 1 285.388 -0.912 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001423434086 908234201 /nfs/dbraw/zinc/23/42/01/908234201.db2.gz DCCSEHLVDVLWEF-YPMHNXCESA-N 2 1 285.388 -0.912 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001423473246 908247384 /nfs/dbraw/zinc/24/73/84/908247384.db2.gz UZOLHHTZCGOBAB-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001423535387 908273120 /nfs/dbraw/zinc/27/31/20/908273120.db2.gz ABWUNZCLQRNKNY-LBPRGKRZSA-N 2 1 287.404 -0.928 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001423543660 908274378 /nfs/dbraw/zinc/27/43/78/908274378.db2.gz PZHYORCFBIAPMP-OLZOCXBDSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001423543660 908274389 /nfs/dbraw/zinc/27/43/89/908274389.db2.gz PZHYORCFBIAPMP-OLZOCXBDSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001423543660 908274408 /nfs/dbraw/zinc/27/44/08/908274408.db2.gz PZHYORCFBIAPMP-OLZOCXBDSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001423543660 908274420 /nfs/dbraw/zinc/27/44/20/908274420.db2.gz PZHYORCFBIAPMP-OLZOCXBDSA-N 2 1 296.415 -0.123 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001423569232 908286163 /nfs/dbraw/zinc/28/61/63/908286163.db2.gz BELGTNHVYOUXLX-GUTXKFCHSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001423569232 908286176 /nfs/dbraw/zinc/28/61/76/908286176.db2.gz BELGTNHVYOUXLX-GUTXKFCHSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001423569232 908286207 /nfs/dbraw/zinc/28/62/07/908286207.db2.gz BELGTNHVYOUXLX-GUTXKFCHSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001423589526 908289100 /nfs/dbraw/zinc/28/91/00/908289100.db2.gz UFGAYCWFJUFHFY-SMDDNHRTSA-N 2 1 284.404 -0.217 20 0 CBADMP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@@H](C)O ZINC001423641215 908298783 /nfs/dbraw/zinc/29/87/83/908298783.db2.gz LAWQJEKCFMELJD-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@@H](C)O ZINC001423641215 908298795 /nfs/dbraw/zinc/29/87/95/908298795.db2.gz LAWQJEKCFMELJD-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@@H](C)O ZINC001423641215 908298806 /nfs/dbraw/zinc/29/88/06/908298806.db2.gz LAWQJEKCFMELJD-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001423948224 908376860 /nfs/dbraw/zinc/37/68/60/908376860.db2.gz MMDAWWSWNDDKKP-OLZOCXBDSA-N 2 1 298.431 -0.112 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001424039454 908396417 /nfs/dbraw/zinc/39/64/17/908396417.db2.gz KGORQSPECHQSRS-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001424039454 908396431 /nfs/dbraw/zinc/39/64/31/908396431.db2.gz KGORQSPECHQSRS-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC001503000954 921407457 /nfs/dbraw/zinc/40/74/57/921407457.db2.gz GMJBKRZGPZJJAG-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CCO ZINC001503000954 921407470 /nfs/dbraw/zinc/40/74/70/921407470.db2.gz GMJBKRZGPZJJAG-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001424269315 908437835 /nfs/dbraw/zinc/43/78/35/908437835.db2.gz SEGCEEBOWMBWCC-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001424333512 908443441 /nfs/dbraw/zinc/44/34/41/908443441.db2.gz XGRACFDGYIAIAK-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001424409669 908457580 /nfs/dbraw/zinc/45/75/80/908457580.db2.gz QUSSBOPRPVFDFT-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001424409669 908457586 /nfs/dbraw/zinc/45/75/86/908457586.db2.gz QUSSBOPRPVFDFT-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001424528300 908466699 /nfs/dbraw/zinc/46/66/99/908466699.db2.gz GRZTYWXPULDRIF-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001424528300 908466702 /nfs/dbraw/zinc/46/67/02/908466702.db2.gz GRZTYWXPULDRIF-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001424546324 908469891 /nfs/dbraw/zinc/46/98/91/908469891.db2.gz JVZYKIBPKRSPPH-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001425012702 908552207 /nfs/dbraw/zinc/55/22/07/908552207.db2.gz NPKLXVAQXJPYQK-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001425012702 908552221 /nfs/dbraw/zinc/55/22/21/908552221.db2.gz NPKLXVAQXJPYQK-LLVKDONJSA-N 2 1 284.404 -0.489 20 0 CBADMP COCC[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001425048521 908556242 /nfs/dbraw/zinc/55/62/42/908556242.db2.gz ZUTRKHOEHQCLHY-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP COCC[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001425048521 908556252 /nfs/dbraw/zinc/55/62/52/908556252.db2.gz ZUTRKHOEHQCLHY-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CC(N)=O ZINC001425068063 908562759 /nfs/dbraw/zinc/56/27/59/908562759.db2.gz ZQDPIVMYEDEFNB-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+](C)CC(N)=O ZINC001425068063 908562772 /nfs/dbraw/zinc/56/27/72/908562772.db2.gz ZQDPIVMYEDEFNB-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@H+](C)CC(N)=O ZINC001425068063 908562787 /nfs/dbraw/zinc/56/27/87/908562787.db2.gz ZQDPIVMYEDEFNB-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@@H+](C)CC(N)=O ZINC001425068063 908562801 /nfs/dbraw/zinc/56/28/01/908562801.db2.gz ZQDPIVMYEDEFNB-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CC(N)=O ZINC001425068066 908567544 /nfs/dbraw/zinc/56/75/44/908567544.db2.gz ZQDPIVMYEDEFNB-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+](C)CC(N)=O ZINC001425068066 908567562 /nfs/dbraw/zinc/56/75/62/908567562.db2.gz ZQDPIVMYEDEFNB-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@H+](C)CC(N)=O ZINC001425068066 908567572 /nfs/dbraw/zinc/56/75/72/908567572.db2.gz ZQDPIVMYEDEFNB-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@@H+](C)CC(N)=O ZINC001425068066 908567582 /nfs/dbraw/zinc/56/75/82/908567582.db2.gz ZQDPIVMYEDEFNB-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP CC(C)[C@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001425166755 908578760 /nfs/dbraw/zinc/57/87/60/908578760.db2.gz VGRUQJGIPMIPOV-STQMWFEESA-N 2 1 298.431 -0.114 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)[C@@H]1CCNC1=O ZINC001505444963 921426350 /nfs/dbraw/zinc/42/63/50/921426350.db2.gz LRAPHRFWHOKCIJ-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001505462329 921425536 /nfs/dbraw/zinc/42/55/36/921425536.db2.gz OOFVCOHEUNMCNH-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001505462329 921425541 /nfs/dbraw/zinc/42/55/41/921425541.db2.gz OOFVCOHEUNMCNH-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001505462329 921425548 /nfs/dbraw/zinc/42/55/48/921425548.db2.gz OOFVCOHEUNMCNH-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001505462329 921425552 /nfs/dbraw/zinc/42/55/52/921425552.db2.gz OOFVCOHEUNMCNH-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP 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 908640268 /nfs/dbraw/zinc/64/02/68/908640268.db2.gz ZZIVFMLENGGWTC-CYDGBPFRSA-N 2 1 296.415 -0.314 20 0 CBADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001425573467 908677019 /nfs/dbraw/zinc/67/70/19/908677019.db2.gz HBIYWXFVCDQLTH-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001425681566 908689337 /nfs/dbraw/zinc/68/93/37/908689337.db2.gz NDHVZTBYXKNXGB-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC ZINC001425681578 908690093 /nfs/dbraw/zinc/69/00/93/908690093.db2.gz NDHVZTBYXKNXGB-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001425809351 908749330 /nfs/dbraw/zinc/74/93/30/908749330.db2.gz PLGMWXTZBPVPHO-LLVKDONJSA-N 2 1 284.360 -0.499 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001505529103 921435954 /nfs/dbraw/zinc/43/59/54/921435954.db2.gz BUVDXFCDAKFQNU-UNXYVOJBSA-N 2 1 282.388 -0.702 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccnc2)C1 ZINC001425844988 908762478 /nfs/dbraw/zinc/76/24/78/908762478.db2.gz VPQJVZMZMHYWFQ-UONOGXRCSA-N 2 1 292.383 -0.400 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NC ZINC001505725290 921472534 /nfs/dbraw/zinc/47/25/34/921472534.db2.gz RNTOWMALQHFJHH-WDEREUQCSA-N 2 1 272.393 -0.443 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NC ZINC001505725287 921472592 /nfs/dbraw/zinc/47/25/92/921472592.db2.gz RNTOWMALQHFJHH-GHMZBOCLSA-N 2 1 272.393 -0.443 20 0 CBADMP C[NH+](C)CCC(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001432302272 909604273 /nfs/dbraw/zinc/60/42/73/909604273.db2.gz VTVDNIMOIDSCNZ-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001433420947 909727666 /nfs/dbraw/zinc/72/76/66/909727666.db2.gz NNJLFLPEFKZTOU-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001433420947 909727676 /nfs/dbraw/zinc/72/76/76/909727676.db2.gz NNJLFLPEFKZTOU-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001433420947 909727685 /nfs/dbraw/zinc/72/76/85/909727685.db2.gz NNJLFLPEFKZTOU-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)CC(N)=O ZINC001505991233 921519685 /nfs/dbraw/zinc/51/96/85/921519685.db2.gz OLJOHEKUYJYLSB-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)CC(N)=O ZINC001505991233 921519691 /nfs/dbraw/zinc/51/96/91/921519691.db2.gz OLJOHEKUYJYLSB-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001505993040 921520436 /nfs/dbraw/zinc/52/04/36/921520436.db2.gz NBEJODDZYHTKEK-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001505993040 921520447 /nfs/dbraw/zinc/52/04/47/921520447.db2.gz NBEJODDZYHTKEK-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001505991395 921521946 /nfs/dbraw/zinc/52/19/46/921521946.db2.gz RRFBOZJAFMYPIP-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CC[NH+](C)C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001433661904 909804934 /nfs/dbraw/zinc/80/49/34/909804934.db2.gz BMZSENBASVKDSU-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001433744689 909839461 /nfs/dbraw/zinc/83/94/61/909839461.db2.gz WNTOFTMXLPFBPP-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+](C)CCCO)C1 ZINC001506060831 921531939 /nfs/dbraw/zinc/53/19/39/921531939.db2.gz JNVZAISVWHXFBK-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+](C)CCCO)C1 ZINC001506060831 921531952 /nfs/dbraw/zinc/53/19/52/921531952.db2.gz JNVZAISVWHXFBK-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCCO)C1 ZINC001506060831 921531962 /nfs/dbraw/zinc/53/19/62/921531962.db2.gz JNVZAISVWHXFBK-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CCCO)C1 ZINC001506060831 921531971 /nfs/dbraw/zinc/53/19/71/921531971.db2.gz JNVZAISVWHXFBK-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@]3(O)CCC[NH+](C)C3)C[C@@H]21 ZINC001434012451 909957599 /nfs/dbraw/zinc/95/75/99/909957599.db2.gz JLNDAWTUSKXDIC-IPYPFGDCSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)C[C@@]3(O)CCC[N@H+](C)C3)C[C@@H]21 ZINC001434012451 909957618 /nfs/dbraw/zinc/95/76/18/909957618.db2.gz JLNDAWTUSKXDIC-IPYPFGDCSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)C[C@@]3(O)CCC[N@@H+](C)C3)C[C@@H]21 ZINC001434012451 909957632 /nfs/dbraw/zinc/95/76/32/909957632.db2.gz JLNDAWTUSKXDIC-IPYPFGDCSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC(N2CCN(C(=O)CC[N@@H+]3CC[C@H](F)C3)CC2)C1 ZINC001434357176 910118016 /nfs/dbraw/zinc/11/80/16/910118016.db2.gz LDUIGNZQTPZIML-ZDUSSCGKSA-N 2 1 298.406 -0.122 20 0 CBADMP C[NH+]1CC(N2CCN(C(=O)CC[N@H+]3CC[C@H](F)C3)CC2)C1 ZINC001434357176 910118030 /nfs/dbraw/zinc/11/80/30/910118030.db2.gz LDUIGNZQTPZIML-ZDUSSCGKSA-N 2 1 298.406 -0.122 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001436398063 910437665 /nfs/dbraw/zinc/43/76/65/910437665.db2.gz UDFIRFWAKBPLML-AVGNSLFASA-N 2 1 296.415 -0.441 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001436398530 910437715 /nfs/dbraw/zinc/43/77/15/910437715.db2.gz VFHIBFRSNJFGHL-IJLUTSLNSA-N 2 1 282.388 -0.702 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001436413642 910442966 /nfs/dbraw/zinc/44/29/66/910442966.db2.gz GGSQGESYKNKNRB-XQQFMLRXSA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001436878695 910498270 /nfs/dbraw/zinc/49/82/70/910498270.db2.gz XJVPACHRRLLBHT-STQMWFEESA-N 2 1 296.415 -0.347 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001436868003 910498533 /nfs/dbraw/zinc/49/85/33/910498533.db2.gz ZCCDYFNPKKMPPX-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001436884621 910501093 /nfs/dbraw/zinc/50/10/93/910501093.db2.gz FVHDZKUUAJHLRO-LPWJVIDDSA-N 2 1 285.388 -0.411 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001436884621 910501108 /nfs/dbraw/zinc/50/11/08/910501108.db2.gz FVHDZKUUAJHLRO-LPWJVIDDSA-N 2 1 285.388 -0.411 20 0 CBADMP CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001436906701 910506396 /nfs/dbraw/zinc/50/63/96/910506396.db2.gz AFKHKPPKVCBNPZ-JHJVBQTASA-N 2 1 296.415 -0.156 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001436924538 910510221 /nfs/dbraw/zinc/51/02/21/910510221.db2.gz ILAMFZNYICBFSH-JHJVBQTASA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001436936436 910511001 /nfs/dbraw/zinc/51/10/01/910511001.db2.gz UJKGBGUHSVIXBM-JHJVBQTASA-N 2 1 296.415 -0.158 20 0 CBADMP 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 910520406 /nfs/dbraw/zinc/52/04/06/910520406.db2.gz ZHMVXDSUQRGLBT-QNWHQSFQSA-N 2 1 296.415 -0.348 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001436972719 910520508 /nfs/dbraw/zinc/52/05/08/910520508.db2.gz FUISZGHODJXBKY-GRYCIOLGSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001437120637 910551141 /nfs/dbraw/zinc/55/11/41/910551141.db2.gz FCSFOXFKYUTONQ-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCn1cccn1 ZINC001437130408 910560150 /nfs/dbraw/zinc/56/01/50/910560150.db2.gz XFSBWXFPWFNREJ-OLZOCXBDSA-N 2 1 295.387 -0.692 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCn1cccn1 ZINC001437130408 910560159 /nfs/dbraw/zinc/56/01/59/910560159.db2.gz XFSBWXFPWFNREJ-OLZOCXBDSA-N 2 1 295.387 -0.692 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCN1CCNC1=O ZINC001437191626 910579991 /nfs/dbraw/zinc/57/99/91/910579991.db2.gz XJAKUPKUYOSPBB-VXGBXAGGSA-N 2 1 297.403 -0.800 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001437249062 910597838 /nfs/dbraw/zinc/59/78/38/910597838.db2.gz OKONACYAVGCBJQ-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001437249059 910599424 /nfs/dbraw/zinc/59/94/24/910599424.db2.gz OKONACYAVGCBJQ-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCS(C)(=O)=O ZINC001437260470 910603415 /nfs/dbraw/zinc/60/34/15/910603415.db2.gz LOSCPEWQQKRLRB-WDEREUQCSA-N 2 1 291.417 -0.923 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001437263178 910603613 /nfs/dbraw/zinc/60/36/13/910603613.db2.gz ROMIWKQXJWBJAW-WDEREUQCSA-N 2 1 270.377 -0.879 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001437263176 910603879 /nfs/dbraw/zinc/60/38/79/910603879.db2.gz ROMIWKQXJWBJAW-QWRGUYRKSA-N 2 1 270.377 -0.879 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001437299071 910610752 /nfs/dbraw/zinc/61/07/52/910610752.db2.gz DXFAXDPWNZTEON-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001437343752 910619313 /nfs/dbraw/zinc/61/93/13/910619313.db2.gz CGKMCZZQQGUFBT-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001437343752 910619315 /nfs/dbraw/zinc/61/93/15/910619315.db2.gz CGKMCZZQQGUFBT-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001437426577 910629334 /nfs/dbraw/zinc/62/93/34/910629334.db2.gz IOWQQFITMPTIFN-GFCCVEGCSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001437422086 910629356 /nfs/dbraw/zinc/62/93/56/910629356.db2.gz LMWSBAPKZNPUQD-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001437560332 910683948 /nfs/dbraw/zinc/68/39/48/910683948.db2.gz DMYWNZORISHAQQ-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001437560332 910683955 /nfs/dbraw/zinc/68/39/55/910683955.db2.gz DMYWNZORISHAQQ-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001437660062 910713254 /nfs/dbraw/zinc/71/32/54/910713254.db2.gz NLVQRWJXNAJVLU-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001437660062 910713266 /nfs/dbraw/zinc/71/32/66/910713266.db2.gz NLVQRWJXNAJVLU-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001506652476 921600268 /nfs/dbraw/zinc/60/02/68/921600268.db2.gz YMLIHNCLWMSYNZ-PWSUYJOCSA-N 2 1 282.388 -0.737 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437719905 910734870 /nfs/dbraw/zinc/73/48/70/910734870.db2.gz IJQJEBUQHWWNKE-LBPRGKRZSA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1nncn1C ZINC001437840900 910766841 /nfs/dbraw/zinc/76/68/41/910766841.db2.gz HJAKFCQCBSJMEA-NWDGAFQWSA-N 2 1 294.403 -0.124 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)c1nncn1C ZINC001437840900 910766851 /nfs/dbraw/zinc/76/68/51/910766851.db2.gz HJAKFCQCBSJMEA-NWDGAFQWSA-N 2 1 294.403 -0.124 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001437952043 910787097 /nfs/dbraw/zinc/78/70/97/910787097.db2.gz YYWZOIYQJDZDMF-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001437952043 910787108 /nfs/dbraw/zinc/78/71/08/910787108.db2.gz YYWZOIYQJDZDMF-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001437952043 910787124 /nfs/dbraw/zinc/78/71/24/910787124.db2.gz YYWZOIYQJDZDMF-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001438184767 910843689 /nfs/dbraw/zinc/84/36/89/910843689.db2.gz VNDMTRYKEDKMFA-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001438184767 910843700 /nfs/dbraw/zinc/84/37/00/910843700.db2.gz VNDMTRYKEDKMFA-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001438184767 910843715 /nfs/dbraw/zinc/84/37/15/910843715.db2.gz VNDMTRYKEDKMFA-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001438184767 910843731 /nfs/dbraw/zinc/84/37/31/910843731.db2.gz VNDMTRYKEDKMFA-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001438192231 910845443 /nfs/dbraw/zinc/84/54/43/910845443.db2.gz RHKAEJCIQCCKGT-FRRDWIJNSA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001438192231 910845460 /nfs/dbraw/zinc/84/54/60/910845460.db2.gz RHKAEJCIQCCKGT-FRRDWIJNSA-N 2 1 298.431 -0.102 20 0 CBADMP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001438328973 910878701 /nfs/dbraw/zinc/87/87/01/910878701.db2.gz MADKCVZIQSRLJT-SNVBAGLBSA-N 2 1 283.380 -0.854 20 0 CBADMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]CC(N)=O ZINC001438503418 910907224 /nfs/dbraw/zinc/90/72/24/910907224.db2.gz KPYVFIMFXLKQEN-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001438525528 910911883 /nfs/dbraw/zinc/91/18/83/910911883.db2.gz ZRHOFDOHOKJPQJ-YNEHKIRRSA-N 2 1 287.404 -0.570 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cn(C)nn1 ZINC001438548196 910916318 /nfs/dbraw/zinc/91/63/18/910916318.db2.gz PVKAUWTWIVSPLK-NWDGAFQWSA-N 2 1 294.403 -0.391 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nnnn1C ZINC001438549554 910916547 /nfs/dbraw/zinc/91/65/47/910916547.db2.gz RMWXANZQEXKPQI-QWRGUYRKSA-N 2 1 295.391 -0.996 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001438545771 910919546 /nfs/dbraw/zinc/91/95/46/910919546.db2.gz QWGRXTZDOJMJDG-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001438575837 910922213 /nfs/dbraw/zinc/92/22/13/910922213.db2.gz RQSIJTUIAQBPRQ-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001438575837 910922222 /nfs/dbraw/zinc/92/22/22/910922222.db2.gz RQSIJTUIAQBPRQ-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001438588001 910927566 /nfs/dbraw/zinc/92/75/66/910927566.db2.gz HLRYZCDBYFLNOK-NSHDSACASA-N 2 1 282.388 -0.416 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001438612645 910930518 /nfs/dbraw/zinc/93/05/18/910930518.db2.gz QLQHKNKWUDQBSN-UHFFFAOYSA-N 2 1 284.404 -0.170 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001438865695 910980632 /nfs/dbraw/zinc/98/06/32/910980632.db2.gz OHVMDALETHYHOS-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001438865695 910980650 /nfs/dbraw/zinc/98/06/50/910980650.db2.gz OHVMDALETHYHOS-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438865695 910980670 /nfs/dbraw/zinc/98/06/70/910980670.db2.gz OHVMDALETHYHOS-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001438865695 910980687 /nfs/dbraw/zinc/98/06/87/910980687.db2.gz OHVMDALETHYHOS-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)CCC[NH+](C)C ZINC001438903395 910988962 /nfs/dbraw/zinc/98/89/62/910988962.db2.gz BSWYMIRTSFFCJN-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)CCC[NH+](C)C ZINC001438903395 910988973 /nfs/dbraw/zinc/98/89/73/910988973.db2.gz BSWYMIRTSFFCJN-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)on1 ZINC001438983558 911037627 /nfs/dbraw/zinc/03/76/27/911037627.db2.gz MSZNZVUSABHSJP-YPMHNXCESA-N 2 1 296.371 -0.356 20 0 CBADMP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001507567286 921866277 /nfs/dbraw/zinc/86/62/77/921866277.db2.gz MQIRIBFWOQOPFI-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CC(C)[NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001439033063 911066255 /nfs/dbraw/zinc/06/62/55/911066255.db2.gz OKLHRANNSKWAON-LBPRGKRZSA-N 2 1 273.377 -0.816 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nncs2)C1 ZINC001439048016 911073410 /nfs/dbraw/zinc/07/34/10/911073410.db2.gz TWEMELHJNUZBMF-NXEZZACHSA-N 2 1 299.400 -0.944 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nncs2)C1 ZINC001439048016 911073431 /nfs/dbraw/zinc/07/34/31/911073431.db2.gz TWEMELHJNUZBMF-NXEZZACHSA-N 2 1 299.400 -0.944 20 0 CBADMP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001439049788 911073961 /nfs/dbraw/zinc/07/39/61/911073961.db2.gz CNYVXHJXKPRHSB-LBPRGKRZSA-N 2 1 298.387 -0.110 20 0 CBADMP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001507567286 921866283 /nfs/dbraw/zinc/86/62/83/921866283.db2.gz MQIRIBFWOQOPFI-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)CC2 ZINC001439146094 911120772 /nfs/dbraw/zinc/12/07/72/911120772.db2.gz ZVXIFWOLFVLZQN-KOLCDFICSA-N 2 1 293.371 -0.666 20 0 CBADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001439159247 911121245 /nfs/dbraw/zinc/12/12/45/911121245.db2.gz PSAKELIGSRZWLP-VXGBXAGGSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001439163818 911125442 /nfs/dbraw/zinc/12/54/42/911125442.db2.gz OWMHBUFFRXNZFV-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001439163818 911125454 /nfs/dbraw/zinc/12/54/54/911125454.db2.gz OWMHBUFFRXNZFV-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439176820 911128045 /nfs/dbraw/zinc/12/80/45/911128045.db2.gz CVZANOHFJFVYDT-MNOVXSKESA-N 2 1 270.377 -0.879 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439283444 911166724 /nfs/dbraw/zinc/16/67/24/911166724.db2.gz RNYFKLYSMWVLNB-QWRGUYRKSA-N 2 1 270.377 -0.832 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001439330457 911179726 /nfs/dbraw/zinc/17/97/26/911179726.db2.gz ZENWAGJBKBTWDB-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001439330457 911179739 /nfs/dbraw/zinc/17/97/39/911179739.db2.gz ZENWAGJBKBTWDB-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001439330457 911179754 /nfs/dbraw/zinc/17/97/54/911179754.db2.gz ZENWAGJBKBTWDB-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001439330457 911179767 /nfs/dbraw/zinc/17/97/67/911179767.db2.gz ZENWAGJBKBTWDB-GRYCIOLGSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001439364371 911193926 /nfs/dbraw/zinc/19/39/26/911193926.db2.gz NDSYMOYHKGEYGM-RYUDHWBXSA-N 2 1 286.420 -0.149 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001439364371 911193935 /nfs/dbraw/zinc/19/39/35/911193935.db2.gz NDSYMOYHKGEYGM-RYUDHWBXSA-N 2 1 286.420 -0.149 20 0 CBADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001439376642 911195707 /nfs/dbraw/zinc/19/57/07/911195707.db2.gz AVBFQDAEHURKMM-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001439376642 911195711 /nfs/dbraw/zinc/19/57/11/911195711.db2.gz AVBFQDAEHURKMM-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(=O)NC ZINC001439390777 911197244 /nfs/dbraw/zinc/19/72/44/911197244.db2.gz WIJUAHLPQLIKDI-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@H](C)C(=O)NC ZINC001439390777 911197218 /nfs/dbraw/zinc/19/72/18/911197218.db2.gz WIJUAHLPQLIKDI-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@H](C)C(=O)NC ZINC001439390777 911197230 /nfs/dbraw/zinc/19/72/30/911197230.db2.gz WIJUAHLPQLIKDI-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)NC ZINC001439390777 911197250 /nfs/dbraw/zinc/19/72/50/911197250.db2.gz WIJUAHLPQLIKDI-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001439448620 911212431 /nfs/dbraw/zinc/21/24/31/911212431.db2.gz ZMBVPZOTMYSPRF-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@]1(NC(=O)CC[NH+]2CCOCC2)CC[N@H+](CCCO)C1 ZINC001439855049 911301017 /nfs/dbraw/zinc/30/10/17/911301017.db2.gz UIXMUBLOXGOAJU-HNNXBMFYSA-N 2 1 299.415 -0.328 20 0 CBADMP C[C@]1(NC(=O)CC[NH+]2CCOCC2)CC[N@@H+](CCCO)C1 ZINC001439855049 911301035 /nfs/dbraw/zinc/30/10/35/911301035.db2.gz UIXMUBLOXGOAJU-HNNXBMFYSA-N 2 1 299.415 -0.328 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](CCCO)C2)CC[N@H+]1C ZINC001439992463 911329183 /nfs/dbraw/zinc/32/91/83/911329183.db2.gz YGMYRSYAYTYRQM-UMVBOHGHSA-N 2 1 299.415 -0.738 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@H+](CCCO)C2)CC[NH+]1C ZINC001439992463 911329197 /nfs/dbraw/zinc/32/91/97/911329197.db2.gz YGMYRSYAYTYRQM-UMVBOHGHSA-N 2 1 299.415 -0.738 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)CC[NH+]1C ZINC001439992463 911329217 /nfs/dbraw/zinc/32/92/17/911329217.db2.gz YGMYRSYAYTYRQM-UMVBOHGHSA-N 2 1 299.415 -0.738 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001439992559 911333703 /nfs/dbraw/zinc/33/37/03/911333703.db2.gz SZUJTVWMGVQZKI-HNNXBMFYSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001439992559 911333715 /nfs/dbraw/zinc/33/37/15/911333715.db2.gz SZUJTVWMGVQZKI-HNNXBMFYSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001439992559 911333734 /nfs/dbraw/zinc/33/37/34/911333734.db2.gz SZUJTVWMGVQZKI-HNNXBMFYSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001440008909 911344223 /nfs/dbraw/zinc/34/42/23/911344223.db2.gz CFCAURXFSXQVFW-UKRRQHHQSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001440008909 911344243 /nfs/dbraw/zinc/34/42/43/911344243.db2.gz CFCAURXFSXQVFW-UKRRQHHQSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001440008909 911344264 /nfs/dbraw/zinc/34/42/64/911344264.db2.gz CFCAURXFSXQVFW-UKRRQHHQSA-N 2 1 299.415 -0.736 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCN2CCC([NH2+]CCO)CC2)C1 ZINC001440157111 911393276 /nfs/dbraw/zinc/39/32/76/911393276.db2.gz JUMYYISFJOESNA-ZDUSSCGKSA-N 2 1 298.431 -0.899 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001440410516 911447423 /nfs/dbraw/zinc/44/74/23/911447423.db2.gz LVYRNCSQERAXPA-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H](O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001440578966 911474598 /nfs/dbraw/zinc/47/45/98/911474598.db2.gz XOMOCODSBFVSGR-CHWSQXEVSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[NH2+]CC1(NC(=O)[C@H]2C[N@H+](CC)CCO2)CCOCC1 ZINC001440578569 911476067 /nfs/dbraw/zinc/47/60/67/911476067.db2.gz WGKZMOUYQQYREU-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CCOCC1 ZINC001440578569 911476075 /nfs/dbraw/zinc/47/60/75/911476075.db2.gz WGKZMOUYQQYREU-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001440592811 911479081 /nfs/dbraw/zinc/47/90/81/911479081.db2.gz KAOIZTYEGYDLQB-RYUDHWBXSA-N 2 1 284.404 -0.491 20 0 CBADMP CC(C)[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001440631044 911484527 /nfs/dbraw/zinc/48/45/27/911484527.db2.gz XKCPXFWUWRGHEF-ZDUSSCGKSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001440631044 911484534 /nfs/dbraw/zinc/48/45/34/911484534.db2.gz XKCPXFWUWRGHEF-ZDUSSCGKSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001440685469 911487729 /nfs/dbraw/zinc/48/77/29/911487729.db2.gz YZIASZPOCTUTTO-ZDUSSCGKSA-N 2 1 268.405 -0.356 20 0 CBADMP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001440761897 911504729 /nfs/dbraw/zinc/50/47/29/911504729.db2.gz VTOAQJQZMNBHGO-CXQJBGSLSA-N 2 1 282.388 -0.832 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O ZINC001440887100 911532685 /nfs/dbraw/zinc/53/26/85/911532685.db2.gz BEPZTJYKAPTSKI-UHFFFAOYSA-N 2 1 286.420 -0.114 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC(=O)N1CCC1 ZINC001440962480 911567976 /nfs/dbraw/zinc/56/79/76/911567976.db2.gz LJUUKZZDYFWMJA-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC(=O)N1CCC1 ZINC001440962480 911567986 /nfs/dbraw/zinc/56/79/86/911567986.db2.gz LJUUKZZDYFWMJA-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC(=O)N1CCC1 ZINC001440962481 911568195 /nfs/dbraw/zinc/56/81/95/911568195.db2.gz LJUUKZZDYFWMJA-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC(=O)N1CCC1 ZINC001440962481 911568214 /nfs/dbraw/zinc/56/82/14/911568214.db2.gz LJUUKZZDYFWMJA-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001441005349 911580015 /nfs/dbraw/zinc/58/00/15/911580015.db2.gz AQLDCQFFBIVUHX-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001441005349 911580032 /nfs/dbraw/zinc/58/00/32/911580032.db2.gz AQLDCQFFBIVUHX-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441005349 911580054 /nfs/dbraw/zinc/58/00/54/911580054.db2.gz AQLDCQFFBIVUHX-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441005349 911580067 /nfs/dbraw/zinc/58/00/67/911580067.db2.gz AQLDCQFFBIVUHX-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001441158166 911616765 /nfs/dbraw/zinc/61/67/65/911616765.db2.gz UODHSEGTDLZNDS-LBPRGKRZSA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001441252038 911631514 /nfs/dbraw/zinc/63/15/14/911631514.db2.gz KEAFDDZKQYZXAV-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001441252038 911631523 /nfs/dbraw/zinc/63/15/23/911631523.db2.gz KEAFDDZKQYZXAV-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001441248379 911631638 /nfs/dbraw/zinc/63/16/38/911631638.db2.gz AURWNADTJBHWLN-CHWSQXEVSA-N 2 1 296.415 -0.489 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001441356211 911652425 /nfs/dbraw/zinc/65/24/25/911652425.db2.gz KIDDBVYRTJRIRL-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001441356211 911652442 /nfs/dbraw/zinc/65/24/42/911652442.db2.gz KIDDBVYRTJRIRL-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001441483929 911682194 /nfs/dbraw/zinc/68/21/94/911682194.db2.gz BUVMSBWDDJODEN-SDDRHHMPSA-N 2 1 296.415 -0.158 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001441491989 911684535 /nfs/dbraw/zinc/68/45/35/911684535.db2.gz VBPHNNUVIIUWHG-LOWVWBTDSA-N 2 1 294.399 -0.404 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001441491997 911685597 /nfs/dbraw/zinc/68/55/97/911685597.db2.gz VBPHNNUVIIUWHG-NTZNESFSSA-N 2 1 294.399 -0.404 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001441533902 911699806 /nfs/dbraw/zinc/69/98/06/911699806.db2.gz ZQUVMHZUEWQULK-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507125610 921684337 /nfs/dbraw/zinc/68/43/37/921684337.db2.gz ITAUUEXTWSGQFA-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1nncn1C ZINC001441659749 911729732 /nfs/dbraw/zinc/72/97/32/911729732.db2.gz QVVQJAIWRBNEQY-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1)C1CCC1 ZINC001441716812 911763932 /nfs/dbraw/zinc/76/39/32/911763932.db2.gz SYBFUPHDFNLJMC-STQMWFEESA-N 2 1 299.415 -0.426 20 0 CBADMP CCn1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001441785335 911801999 /nfs/dbraw/zinc/80/19/99/911801999.db2.gz JNBLHROJXKHEMG-AAEUAGOBSA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001441785335 911802014 /nfs/dbraw/zinc/80/20/14/911802014.db2.gz JNBLHROJXKHEMG-AAEUAGOBSA-N 2 1 294.403 -0.014 20 0 CBADMP Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441786382 911804240 /nfs/dbraw/zinc/80/42/40/911804240.db2.gz FFULIUKWGSGIMI-WCQYABFASA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441786382 911804248 /nfs/dbraw/zinc/80/42/48/911804248.db2.gz FFULIUKWGSGIMI-WCQYABFASA-N 2 1 296.371 -0.499 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccnn1C ZINC001441788805 911809028 /nfs/dbraw/zinc/80/90/28/911809028.db2.gz NQIZCEWLEXADAO-AAEUAGOBSA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccnn1C ZINC001441788805 911809033 /nfs/dbraw/zinc/80/90/33/911809033.db2.gz NQIZCEWLEXADAO-AAEUAGOBSA-N 2 1 295.387 -0.655 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001441826713 911824284 /nfs/dbraw/zinc/82/42/84/911824284.db2.gz NEZQGUXLRQTRRP-STQMWFEESA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001441826699 911825827 /nfs/dbraw/zinc/82/58/27/911825827.db2.gz NEZQGUXLRQTRRP-OLZOCXBDSA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001441829387 911826807 /nfs/dbraw/zinc/82/68/07/911826807.db2.gz GBFGTGSUHDJRCA-QWRGUYRKSA-N 2 1 270.377 -0.609 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CC[NH+](C)C ZINC001441834792 911830547 /nfs/dbraw/zinc/83/05/47/911830547.db2.gz JHIIPIBRAFQEGX-MNOVXSKESA-N 2 1 295.391 -0.759 20 0 CBADMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cn(C)nn1 ZINC001441845149 911835368 /nfs/dbraw/zinc/83/53/68/911835368.db2.gz TUSFJYREIICNBZ-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NC)C[C@@H]1C ZINC001441857748 911835521 /nfs/dbraw/zinc/83/55/21/911835521.db2.gz GNJLPVYEQMBXSV-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001441857013 911835918 /nfs/dbraw/zinc/83/59/18/911835918.db2.gz RTZKIBOAIHBQOX-CMPLNLGQSA-N 2 1 282.392 -0.250 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2 ZINC001441858730 911840624 /nfs/dbraw/zinc/84/06/24/911840624.db2.gz DTJROKWYKSNDBP-SWLSCSKDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2 ZINC001441858730 911840637 /nfs/dbraw/zinc/84/06/37/911840637.db2.gz DTJROKWYKSNDBP-SWLSCSKDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001442053564 911910561 /nfs/dbraw/zinc/91/05/61/911910561.db2.gz QMIRXGFNVFJTCZ-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001442053564 911910582 /nfs/dbraw/zinc/91/05/82/911910582.db2.gz QMIRXGFNVFJTCZ-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP CC(C)CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442051469 911911383 /nfs/dbraw/zinc/91/13/83/911911383.db2.gz NQGCHDYTTWCPAU-OLZOCXBDSA-N 2 1 298.431 -0.195 20 0 CBADMP CC(C)[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)[NH+](C)C ZINC001442089834 911930557 /nfs/dbraw/zinc/93/05/57/911930557.db2.gz GQBVSDABCXBHKC-QWHCGFSZSA-N 2 1 289.420 -0.684 20 0 CBADMP CN(C)C(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001442212884 911952362 /nfs/dbraw/zinc/95/23/62/911952362.db2.gz LTIBTHAFHBQUEB-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001442212884 911952381 /nfs/dbraw/zinc/95/23/81/911952381.db2.gz LTIBTHAFHBQUEB-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001442254139 911960717 /nfs/dbraw/zinc/96/07/17/911960717.db2.gz PUJRSGJPSRCZOK-UHFFFAOYSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001442335799 911976230 /nfs/dbraw/zinc/97/62/30/911976230.db2.gz DUPYTGDCDPBSNA-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CCn1cccn1 ZINC001442371340 911985437 /nfs/dbraw/zinc/98/54/37/911985437.db2.gz FXPFGVPNVZDLSG-ZDUSSCGKSA-N 2 1 295.387 -0.738 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CCn1cccn1 ZINC001442371340 911985460 /nfs/dbraw/zinc/98/54/60/911985460.db2.gz FXPFGVPNVZDLSG-ZDUSSCGKSA-N 2 1 295.387 -0.738 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CCn1cccn1 ZINC001442371340 911985482 /nfs/dbraw/zinc/98/54/82/911985482.db2.gz FXPFGVPNVZDLSG-ZDUSSCGKSA-N 2 1 295.387 -0.738 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CCn1cccn1 ZINC001442371340 911985501 /nfs/dbraw/zinc/98/55/01/911985501.db2.gz FXPFGVPNVZDLSG-ZDUSSCGKSA-N 2 1 295.387 -0.738 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)CCN1CCNC1=O)[NH+](C)C ZINC001442440018 912016933 /nfs/dbraw/zinc/01/69/33/912016933.db2.gz ZQQQGDLXLIRRAS-GFCCVEGCSA-N 2 1 299.419 -0.600 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001442901257 912125701 /nfs/dbraw/zinc/12/57/01/912125701.db2.gz CVVQMEVSWAUYHF-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001442901257 912125705 /nfs/dbraw/zinc/12/57/05/912125705.db2.gz CVVQMEVSWAUYHF-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001442901257 912125710 /nfs/dbraw/zinc/12/57/10/912125710.db2.gz CVVQMEVSWAUYHF-STQMWFEESA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001442923536 912129299 /nfs/dbraw/zinc/12/92/99/912129299.db2.gz VCSUAMPYYNUFOK-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC001442923536 912129306 /nfs/dbraw/zinc/12/93/06/912129306.db2.gz VCSUAMPYYNUFOK-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCNC1=O ZINC001442923536 912129312 /nfs/dbraw/zinc/12/93/12/912129312.db2.gz VCSUAMPYYNUFOK-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)c1nnnn1C ZINC001443073914 912145805 /nfs/dbraw/zinc/14/58/05/912145805.db2.gz BDRCDZHLTRTLFS-WDEREUQCSA-N 2 1 295.391 -0.587 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)c1nnnn1C ZINC001443073914 912145819 /nfs/dbraw/zinc/14/58/19/912145819.db2.gz BDRCDZHLTRTLFS-WDEREUQCSA-N 2 1 295.391 -0.587 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@@H]2CCNC2=O)CC[N@H+]1C ZINC001443079344 912148998 /nfs/dbraw/zinc/14/89/98/912148998.db2.gz PJGGVMPBWBDNQJ-IJLUTSLNSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C)C(=O)N(C)C ZINC001443087987 912151083 /nfs/dbraw/zinc/15/10/83/912151083.db2.gz RHTYUXHCMGUGJZ-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001443099125 912156561 /nfs/dbraw/zinc/15/65/61/912156561.db2.gz KPMMNLJPYSASNN-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCN1CC[C@H]1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001464653021 915000073 /nfs/dbraw/zinc/00/00/73/915000073.db2.gz JOYFUGDVGYIFDM-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+]1CC[C@H]1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC001464653021 915000087 /nfs/dbraw/zinc/00/00/87/915000087.db2.gz JOYFUGDVGYIFDM-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@H+]1CC[C@H]1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC001464653021 915000099 /nfs/dbraw/zinc/00/00/99/915000099.db2.gz JOYFUGDVGYIFDM-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+]1CC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001464653021 915000114 /nfs/dbraw/zinc/00/01/14/915000114.db2.gz JOYFUGDVGYIFDM-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+]1CC[C@H]1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001464653021 915000123 /nfs/dbraw/zinc/00/01/23/915000123.db2.gz JOYFUGDVGYIFDM-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001507337351 921811963 /nfs/dbraw/zinc/81/19/63/921811963.db2.gz CTKYHPNYWANLCP-STQMWFEESA-N 2 1 298.431 -0.006 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NC[C@@H](CO)[NH2+]CC2CC2)no1 ZINC001507212095 921749957 /nfs/dbraw/zinc/74/99/57/921749957.db2.gz RLHPSKWTFQXVGE-NSHDSACASA-N 2 1 296.371 -0.174 20 0 CBADMP C[N@H+](CC(=O)NCC[NH+]1CCCOCC1)[C@@H]1CCC[C@H]1O ZINC001467273093 915191678 /nfs/dbraw/zinc/19/16/78/915191678.db2.gz ACPAISKQTMASRQ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH+]1CCCOCC1)[C@@H]1CCC[C@H]1O ZINC001467273093 915191686 /nfs/dbraw/zinc/19/16/86/915191686.db2.gz ACPAISKQTMASRQ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](CC(=O)NCC[N@@H+]1CCCOCC1)[C@@H]1CCC[C@H]1O ZINC001467273093 915191692 /nfs/dbraw/zinc/19/16/92/915191692.db2.gz ACPAISKQTMASRQ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](CC(=O)NCC[N@H+]1CCCOCC1)[C@@H]1CCC[C@H]1O ZINC001467273093 915191701 /nfs/dbraw/zinc/19/17/01/915191701.db2.gz ACPAISKQTMASRQ-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001470572975 915508606 /nfs/dbraw/zinc/50/86/06/915508606.db2.gz WYMRKQPCGSOVPR-LBPRGKRZSA-N 2 1 275.368 -0.197 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001470572975 915508628 /nfs/dbraw/zinc/50/86/28/915508628.db2.gz WYMRKQPCGSOVPR-LBPRGKRZSA-N 2 1 275.368 -0.197 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001470572975 915508649 /nfs/dbraw/zinc/50/86/49/915508649.db2.gz WYMRKQPCGSOVPR-LBPRGKRZSA-N 2 1 275.368 -0.197 20 0 CBADMP CC(C)C[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001507246000 921778906 /nfs/dbraw/zinc/77/89/06/921778906.db2.gz XMUXJAQQRBDIKH-ZDUSSCGKSA-N 2 1 287.404 -0.569 20 0 CBADMP C[NH+]1CCC(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)CC1 ZINC001471641859 915610267 /nfs/dbraw/zinc/61/02/67/915610267.db2.gz YPEDBEADOQRAID-UONOGXRCSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)CN1CC[NH+](C)CC1 ZINC001472547347 915747828 /nfs/dbraw/zinc/74/78/28/915747828.db2.gz DOCZBNGWRXAWKM-CQSZACIVSA-N 2 1 286.420 -0.947 20 0 CBADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)CN1CC[NH+](C)CC1 ZINC001472580739 915750541 /nfs/dbraw/zinc/75/05/41/915750541.db2.gz ZRQYADMRUXUONW-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)CN1CC[NH+](C)CC1 ZINC001472580739 915750557 /nfs/dbraw/zinc/75/05/57/915750557.db2.gz ZRQYADMRUXUONW-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001507265639 921797857 /nfs/dbraw/zinc/79/78/57/921797857.db2.gz SKQBIJLOABERMH-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001507265639 921797870 /nfs/dbraw/zinc/79/78/70/921797870.db2.gz SKQBIJLOABERMH-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001479272584 916106431 /nfs/dbraw/zinc/10/64/31/916106431.db2.gz WSYMGFYMMHYHDV-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001479670497 916154471 /nfs/dbraw/zinc/15/44/71/916154471.db2.gz YBVSYMBSCUJRSH-UPJWGTAASA-N 2 1 296.415 -0.408 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001479808589 916183808 /nfs/dbraw/zinc/18/38/08/916183808.db2.gz IYIIIQQEJSYHLT-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001479808588 916188029 /nfs/dbraw/zinc/18/80/29/916188029.db2.gz IYIIIQQEJSYHLT-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CC(N)=O ZINC001479859788 916198724 /nfs/dbraw/zinc/19/87/24/916198724.db2.gz LTNPNXWGDUTDQM-UHFFFAOYSA-N 2 1 282.388 -0.604 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001479962389 916245580 /nfs/dbraw/zinc/24/55/80/916245580.db2.gz UFNDUSKNHYMOJL-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001479962389 916245595 /nfs/dbraw/zinc/24/55/95/916245595.db2.gz UFNDUSKNHYMOJL-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]([NH2+]CCO)C2CC2)C1 ZINC001480047352 916274559 /nfs/dbraw/zinc/27/45/59/916274559.db2.gz RBRNOOBIQTZBFL-YPMHNXCESA-N 2 1 269.389 -0.195 20 0 CBADMP O=C(NC[C@@H]([NH2+]CCO)C1CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001480061442 916278632 /nfs/dbraw/zinc/27/86/32/916278632.db2.gz BFRDUQHMPHXTGZ-HIFRSBDPSA-N 2 1 281.400 -0.051 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)N(C)C ZINC001480132222 916301543 /nfs/dbraw/zinc/30/15/43/916301543.db2.gz QZHBFAAIMDNIOB-ZDEQEGDKSA-N 2 1 296.415 -0.206 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001480168575 916315280 /nfs/dbraw/zinc/31/52/80/916315280.db2.gz PKDYKVDESIGULL-IJLUTSLNSA-N 2 1 284.404 -0.171 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001480172988 916317137 /nfs/dbraw/zinc/31/71/37/916317137.db2.gz RXYSPRARHDIMSJ-HAQNSBGRSA-N 2 1 266.345 -0.189 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001480237643 916346285 /nfs/dbraw/zinc/34/62/85/916346285.db2.gz HKWWHPGYEKOQAB-TXEJJXNPSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001480566089 916477843 /nfs/dbraw/zinc/47/78/43/916477843.db2.gz QZCHGIZMSXPLHI-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP COCCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480612603 916496707 /nfs/dbraw/zinc/49/67/07/916496707.db2.gz AKJASYLYCNUSGG-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001480638643 916507340 /nfs/dbraw/zinc/50/73/40/916507340.db2.gz MTRLXMHPTJRKCY-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP COCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001480638643 916507349 /nfs/dbraw/zinc/50/73/49/916507349.db2.gz MTRLXMHPTJRKCY-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001480653809 916510908 /nfs/dbraw/zinc/51/09/08/916510908.db2.gz OHVPKBYZYYWXFO-LBPRGKRZSA-N 2 1 293.371 -0.624 20 0 CBADMP COCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001480670983 916517457 /nfs/dbraw/zinc/51/74/57/916517457.db2.gz MWXRHNLJTUXUJU-AWEZNQCLSA-N 2 1 299.415 -0.207 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC(N)=O)C1 ZINC001480739017 916524087 /nfs/dbraw/zinc/52/40/87/916524087.db2.gz KBURZRHTOYOGHV-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC(N)=O)C1 ZINC001480739017 916524097 /nfs/dbraw/zinc/52/40/97/916524097.db2.gz KBURZRHTOYOGHV-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001480739017 916524113 /nfs/dbraw/zinc/52/41/13/916524113.db2.gz KBURZRHTOYOGHV-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001480739017 916524126 /nfs/dbraw/zinc/52/41/26/916524126.db2.gz KBURZRHTOYOGHV-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP C[C@H](CCNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001480770339 916534732 /nfs/dbraw/zinc/53/47/32/916534732.db2.gz BGDFLOXXJZZQCO-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480765555 916534796 /nfs/dbraw/zinc/53/47/96/916534796.db2.gz NNDKZEZHRNBZLY-JHJVBQTASA-N 2 1 298.431 -0.053 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001480779717 916538713 /nfs/dbraw/zinc/53/87/13/916538713.db2.gz LBZWSYFHRSDJJY-LLVKDONJSA-N 2 1 295.387 -0.188 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001480808677 916545659 /nfs/dbraw/zinc/54/56/59/916545659.db2.gz OIUROYXRZQDFRH-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001480813489 916552013 /nfs/dbraw/zinc/55/20/13/916552013.db2.gz HKXLWHHTRXIDFD-SNVBAGLBSA-N 2 1 258.366 -0.704 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@@H]1CCCCO1 ZINC001480851946 916572764 /nfs/dbraw/zinc/57/27/64/916572764.db2.gz MUMDEZGSJKPMIR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@@H]1CCCCO1 ZINC001480851946 916572777 /nfs/dbraw/zinc/57/27/77/916572777.db2.gz MUMDEZGSJKPMIR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C[C@@H]1CCCCO1 ZINC001480851946 916572789 /nfs/dbraw/zinc/57/27/89/916572789.db2.gz MUMDEZGSJKPMIR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@@H]1CCCCO1 ZINC001480851946 916572804 /nfs/dbraw/zinc/57/28/04/916572804.db2.gz MUMDEZGSJKPMIR-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC(C)OCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001480852387 916574394 /nfs/dbraw/zinc/57/43/94/916574394.db2.gz ZFBZRBBZRAFFRX-ZDUSSCGKSA-N 2 1 287.404 -0.210 20 0 CBADMP CC(C)OCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001480852387 916574406 /nfs/dbraw/zinc/57/44/06/916574406.db2.gz ZFBZRBBZRAFFRX-ZDUSSCGKSA-N 2 1 287.404 -0.210 20 0 CBADMP CC(C)OCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001480852387 916574417 /nfs/dbraw/zinc/57/44/17/916574417.db2.gz ZFBZRBBZRAFFRX-ZDUSSCGKSA-N 2 1 287.404 -0.210 20 0 CBADMP CC(C)OCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001480852387 916574428 /nfs/dbraw/zinc/57/44/28/916574428.db2.gz ZFBZRBBZRAFFRX-ZDUSSCGKSA-N 2 1 287.404 -0.210 20 0 CBADMP CN1CC[C@@H]([N@H+](C)CCNC(=O)C[NH+](C)C2CCC2)C1=O ZINC001480874315 916598308 /nfs/dbraw/zinc/59/83/08/916598308.db2.gz ZNTINFLGRYMTLR-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCNC(=O)C[NH+](C)C2CCC2)C1=O ZINC001480874315 916598325 /nfs/dbraw/zinc/59/83/25/916598325.db2.gz ZNTINFLGRYMTLR-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001480874315 916598344 /nfs/dbraw/zinc/59/83/44/916598344.db2.gz ZNTINFLGRYMTLR-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001480874315 916598362 /nfs/dbraw/zinc/59/83/62/916598362.db2.gz ZNTINFLGRYMTLR-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480907249 916626032 /nfs/dbraw/zinc/62/60/32/916626032.db2.gz BOQYUZCVTJDPLV-JTQLQIEISA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480907249 916626041 /nfs/dbraw/zinc/62/60/41/916626041.db2.gz BOQYUZCVTJDPLV-JTQLQIEISA-N 2 1 270.377 -0.750 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480934603 916642223 /nfs/dbraw/zinc/64/22/23/916642223.db2.gz BPHBYGNAKGTYRG-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480934603 916642235 /nfs/dbraw/zinc/64/22/35/916642235.db2.gz BPHBYGNAKGTYRG-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480934603 916642250 /nfs/dbraw/zinc/64/22/50/916642250.db2.gz BPHBYGNAKGTYRG-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480934603 916642263 /nfs/dbraw/zinc/64/22/63/916642263.db2.gz BPHBYGNAKGTYRG-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)[C@H](C)COC)C1 ZINC001480948961 916647695 /nfs/dbraw/zinc/64/76/95/916647695.db2.gz FOLRDJZZRFTSES-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)[C@H](C)COC)C1 ZINC001480948961 916647702 /nfs/dbraw/zinc/64/77/02/916647702.db2.gz FOLRDJZZRFTSES-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)[C@H](C)COC)C1 ZINC001480948961 916647717 /nfs/dbraw/zinc/64/77/17/916647717.db2.gz FOLRDJZZRFTSES-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)COC)C1 ZINC001480948961 916647737 /nfs/dbraw/zinc/64/77/37/916647737.db2.gz FOLRDJZZRFTSES-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001480947128 916652028 /nfs/dbraw/zinc/65/20/28/916652028.db2.gz JAOFBAABZQODDD-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@H](C)O ZINC001481017125 916686450 /nfs/dbraw/zinc/68/64/50/916686450.db2.gz ZIAHIQPKLXESQO-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@H](C)O ZINC001481017125 916686457 /nfs/dbraw/zinc/68/64/57/916686457.db2.gz ZIAHIQPKLXESQO-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@H](C)O ZINC001481017125 916686471 /nfs/dbraw/zinc/68/64/71/916686471.db2.gz ZIAHIQPKLXESQO-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CC(=O)N(C)C ZINC001480999716 916683269 /nfs/dbraw/zinc/68/32/69/916683269.db2.gz BCTRLMXKYJUXSW-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CC(=O)N(C)C ZINC001480999716 916683278 /nfs/dbraw/zinc/68/32/78/916683278.db2.gz BCTRLMXKYJUXSW-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)CC(=O)N(C)C ZINC001480999716 916683287 /nfs/dbraw/zinc/68/32/87/916683287.db2.gz BCTRLMXKYJUXSW-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)CC(=O)N(C)C ZINC001480999716 916683295 /nfs/dbraw/zinc/68/32/95/916683295.db2.gz BCTRLMXKYJUXSW-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCOCCO ZINC001481054339 916698419 /nfs/dbraw/zinc/69/84/19/916698419.db2.gz YTGIKGRDGIKJHL-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCOCCO ZINC001481054339 916698430 /nfs/dbraw/zinc/69/84/30/916698430.db2.gz YTGIKGRDGIKJHL-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCOCCO ZINC001481054339 916698442 /nfs/dbraw/zinc/69/84/42/916698442.db2.gz YTGIKGRDGIKJHL-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001481055606 916700508 /nfs/dbraw/zinc/70/05/08/916700508.db2.gz JKTYRPAZTYYWRV-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001481055606 916700519 /nfs/dbraw/zinc/70/05/19/916700519.db2.gz JKTYRPAZTYYWRV-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@H](C)C(=O)NC)C1 ZINC001481120428 916722520 /nfs/dbraw/zinc/72/25/20/916722520.db2.gz DFWFBPUUXOOFBD-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001481120428 916722542 /nfs/dbraw/zinc/72/25/42/916722542.db2.gz DFWFBPUUXOOFBD-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001481120428 916722553 /nfs/dbraw/zinc/72/25/53/916722553.db2.gz DFWFBPUUXOOFBD-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC ZINC001481153814 916737402 /nfs/dbraw/zinc/73/74/02/916737402.db2.gz MYWUEBSNWKYDBN-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC ZINC001481153814 916737420 /nfs/dbraw/zinc/73/74/20/916737420.db2.gz MYWUEBSNWKYDBN-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NC ZINC001481153814 916737431 /nfs/dbraw/zinc/73/74/31/916737431.db2.gz MYWUEBSNWKYDBN-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NC ZINC001481153814 916737443 /nfs/dbraw/zinc/73/74/43/916737443.db2.gz MYWUEBSNWKYDBN-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001481292057 916811945 /nfs/dbraw/zinc/81/19/45/916811945.db2.gz XOFXARTXKVHVEW-LLVKDONJSA-N 2 1 295.387 -0.106 20 0 CBADMP CN(CC[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481315268 916815115 /nfs/dbraw/zinc/81/51/15/916815115.db2.gz UKZGWUMCLZRWNO-NSHDSACASA-N 2 1 280.376 -0.685 20 0 CBADMP CN(CC[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481315268 916815132 /nfs/dbraw/zinc/81/51/32/916815132.db2.gz UKZGWUMCLZRWNO-NSHDSACASA-N 2 1 280.376 -0.685 20 0 CBADMP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481314676 916817817 /nfs/dbraw/zinc/81/78/17/916817817.db2.gz JWIIVPQJYFEZNS-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001481344488 916821299 /nfs/dbraw/zinc/82/12/99/916821299.db2.gz YFCUNHUCBLWDIL-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001481464144 916838568 /nfs/dbraw/zinc/83/85/68/916838568.db2.gz IEHOCICNZQXVLK-OLZOCXBDSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001481464144 916838575 /nfs/dbraw/zinc/83/85/75/916838575.db2.gz IEHOCICNZQXVLK-OLZOCXBDSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001481464144 916838587 /nfs/dbraw/zinc/83/85/87/916838587.db2.gz IEHOCICNZQXVLK-OLZOCXBDSA-N 2 1 269.389 -0.241 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC(N)=O)C1 ZINC001481505500 916848239 /nfs/dbraw/zinc/84/82/39/916848239.db2.gz SLNKHRIRFVOROC-GFCCVEGCSA-N 2 1 284.404 -0.406 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001481505500 916848250 /nfs/dbraw/zinc/84/82/50/916848250.db2.gz SLNKHRIRFVOROC-GFCCVEGCSA-N 2 1 284.404 -0.406 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001481505500 916848261 /nfs/dbraw/zinc/84/82/61/916848261.db2.gz SLNKHRIRFVOROC-GFCCVEGCSA-N 2 1 284.404 -0.406 20 0 CBADMP COCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001481533195 916855016 /nfs/dbraw/zinc/85/50/16/916855016.db2.gz HOTFDSIGGIEKTF-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001481533195 916855025 /nfs/dbraw/zinc/85/50/25/916855025.db2.gz HOTFDSIGGIEKTF-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001481533195 916855031 /nfs/dbraw/zinc/85/50/31/916855031.db2.gz HOTFDSIGGIEKTF-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001481533195 916855037 /nfs/dbraw/zinc/85/50/37/916855037.db2.gz HOTFDSIGGIEKTF-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](CC)C(N)=O)C1)[NH+](C)C ZINC001481690078 916953253 /nfs/dbraw/zinc/95/32/53/916953253.db2.gz GUWXGNXPPHKEIW-SDDRHHMPSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H](CC)C(N)=O)C1)[NH+](C)C ZINC001481690078 916953260 /nfs/dbraw/zinc/95/32/60/916953260.db2.gz GUWXGNXPPHKEIW-SDDRHHMPSA-N 2 1 284.404 -0.219 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]CC(N)=O ZINC001481816505 916994888 /nfs/dbraw/zinc/99/48/88/916994888.db2.gz MGPHDLSIVOGONT-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001482121296 917058484 /nfs/dbraw/zinc/05/84/84/917058484.db2.gz GIVBJPADAWUVPP-NSHDSACASA-N 2 1 295.387 -0.330 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)N(C)C ZINC001482159709 917071854 /nfs/dbraw/zinc/07/18/54/917071854.db2.gz RCBSYDVDZRSZOW-STQMWFEESA-N 2 1 298.431 -0.242 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001482173330 917073699 /nfs/dbraw/zinc/07/36/99/917073699.db2.gz JPPGBYADTLXFTF-JTQLQIEISA-N 2 1 258.366 -0.846 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482295685 917117991 /nfs/dbraw/zinc/11/79/91/917117991.db2.gz DTNMQBLJVOVYTE-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C[NH2+]CCn1cncn1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001482318881 917125203 /nfs/dbraw/zinc/12/52/03/917125203.db2.gz HKTZNIGMPOTZGA-QWHCGFSZSA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482353710 917135522 /nfs/dbraw/zinc/13/55/22/917135522.db2.gz KMLSGXIVHYFVGV-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482353706 917135997 /nfs/dbraw/zinc/13/59/97/917135997.db2.gz KMLSGXIVHYFVGV-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCO)C1 ZINC001482367342 917138919 /nfs/dbraw/zinc/13/89/19/917138919.db2.gz JFNFXRWDQGJUEA-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCO)C1 ZINC001482367342 917138932 /nfs/dbraw/zinc/13/89/32/917138932.db2.gz JFNFXRWDQGJUEA-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001482649643 917195188 /nfs/dbraw/zinc/19/51/88/917195188.db2.gz NXWCSLPUUBEMSH-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001482649643 917195200 /nfs/dbraw/zinc/19/52/00/917195200.db2.gz NXWCSLPUUBEMSH-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482649643 917195208 /nfs/dbraw/zinc/19/52/08/917195208.db2.gz NXWCSLPUUBEMSH-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482649643 917195216 /nfs/dbraw/zinc/19/52/16/917195216.db2.gz NXWCSLPUUBEMSH-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)CC1 ZINC001482765481 917262773 /nfs/dbraw/zinc/26/27/73/917262773.db2.gz JEZWYILBMJZRKT-ZDUSSCGKSA-N 2 1 296.371 -0.417 20 0 CBADMP Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001482800653 917292553 /nfs/dbraw/zinc/29/25/53/917292553.db2.gz XLGPTCFQRBWARM-LLVKDONJSA-N 2 1 299.375 -0.715 20 0 CBADMP Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001482800653 917292563 /nfs/dbraw/zinc/29/25/63/917292563.db2.gz XLGPTCFQRBWARM-LLVKDONJSA-N 2 1 299.375 -0.715 20 0 CBADMP CCN(CC[NH2+]C[C@@H](C)O)C(=O)CC[NH+]1CCOCC1 ZINC001482956929 917350282 /nfs/dbraw/zinc/35/02/82/917350282.db2.gz USOGUBGAXGWUAI-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483116330 917418915 /nfs/dbraw/zinc/41/89/15/917418915.db2.gz HMOUAQVMXPNZLQ-NEPJUHHUSA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001483116330 917418924 /nfs/dbraw/zinc/41/89/24/917418924.db2.gz HMOUAQVMXPNZLQ-NEPJUHHUSA-N 2 1 294.403 -0.014 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001483172927 917449219 /nfs/dbraw/zinc/44/92/19/917449219.db2.gz ZLYYMMKKABELBF-MNOVXSKESA-N 2 1 295.387 -0.025 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001483182312 917452182 /nfs/dbraw/zinc/45/21/82/917452182.db2.gz TUDYRLOTCQQDSW-MNOVXSKESA-N 2 1 298.387 -0.772 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001483248570 917491904 /nfs/dbraw/zinc/49/19/04/917491904.db2.gz GPNKFODNYCKVHU-JTQLQIEISA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001483255221 917494853 /nfs/dbraw/zinc/49/48/53/917494853.db2.gz FSJHHMKTUMLQIM-SDDRHHMPSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483340333 917536656 /nfs/dbraw/zinc/53/66/56/917536656.db2.gz ZRJAPJBQJIWXGC-DGCLKSJQSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)C[N@@H+](C)CCO ZINC001483421003 917558822 /nfs/dbraw/zinc/55/88/22/917558822.db2.gz ORXIWZWMZLVNLB-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@@H](O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001483484173 917577865 /nfs/dbraw/zinc/57/78/65/917577865.db2.gz KJAXTKZSUGDTGJ-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[C@H]([NH2+]CCCN(C)C(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001483480088 917579199 /nfs/dbraw/zinc/57/91/99/917579199.db2.gz YAQADRLPUSDQBL-LBPRGKRZSA-N 2 1 295.387 -0.106 20 0 CBADMP CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001483484884 917579668 /nfs/dbraw/zinc/57/96/68/917579668.db2.gz VDBCNISHTCIKQM-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+]1CCCO ZINC001483687415 917635530 /nfs/dbraw/zinc/63/55/30/917635530.db2.gz HUSGPKXMTIZDED-ZDUSSCGKSA-N 2 1 285.388 -0.718 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+]1CCCO ZINC001483687415 917635544 /nfs/dbraw/zinc/63/55/44/917635544.db2.gz HUSGPKXMTIZDED-ZDUSSCGKSA-N 2 1 285.388 -0.718 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCOCCO)C1 ZINC001483702538 917645704 /nfs/dbraw/zinc/64/57/04/917645704.db2.gz PWRPWIMOKRSWPG-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCOCCO)C1 ZINC001483702538 917645717 /nfs/dbraw/zinc/64/57/17/917645717.db2.gz PWRPWIMOKRSWPG-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCOCCO)C1 ZINC001483702538 917645726 /nfs/dbraw/zinc/64/57/26/917645726.db2.gz PWRPWIMOKRSWPG-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCOCCO)C1 ZINC001483702538 917645734 /nfs/dbraw/zinc/64/57/34/917645734.db2.gz PWRPWIMOKRSWPG-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001483725994 917661207 /nfs/dbraw/zinc/66/12/07/917661207.db2.gz YDYUQTBYGNAUBA-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001483725994 917661215 /nfs/dbraw/zinc/66/12/15/917661215.db2.gz YDYUQTBYGNAUBA-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCO)CC2)C1 ZINC001483785201 917682017 /nfs/dbraw/zinc/68/20/17/917682017.db2.gz ZLXIXDZSCSWOIC-LLVKDONJSA-N 2 1 255.362 -0.441 20 0 CBADMP C[NH+]1CCC(CC(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)CC1 ZINC001484060688 917729239 /nfs/dbraw/zinc/72/92/39/917729239.db2.gz LBDRILBSSBBCFA-OAHLLOKOSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC(CC(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)CC1 ZINC001484060688 917729253 /nfs/dbraw/zinc/72/92/53/917729253.db2.gz LBDRILBSSBBCFA-OAHLLOKOSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001484065784 917730937 /nfs/dbraw/zinc/73/09/37/917730937.db2.gz ZJQZFWQALNOSTN-WFASDCNBSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001484065784 917730943 /nfs/dbraw/zinc/73/09/43/917730943.db2.gz ZJQZFWQALNOSTN-WFASDCNBSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001484065784 917730950 /nfs/dbraw/zinc/73/09/50/917730950.db2.gz ZJQZFWQALNOSTN-WFASDCNBSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001484065784 917730957 /nfs/dbraw/zinc/73/09/57/917730957.db2.gz ZJQZFWQALNOSTN-WFASDCNBSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCO)CCOCC1 ZINC001484177953 917742915 /nfs/dbraw/zinc/74/29/15/917742915.db2.gz AIQLXSYXPFQIJI-CYBMUJFWSA-N 2 1 299.415 -0.282 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001484187639 917748679 /nfs/dbraw/zinc/74/86/79/917748679.db2.gz IPTKSYCFIYJGKT-CYBMUJFWSA-N 2 1 299.415 -0.425 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](CCF)C2)CC[N@@H+]1C ZINC001484217303 917769500 /nfs/dbraw/zinc/76/95/00/917769500.db2.gz RHDVTGWMGDWKLL-YRGRVCCFSA-N 2 1 287.379 -0.151 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](CCF)C2)CC[N@H+]1C ZINC001484217303 917769512 /nfs/dbraw/zinc/76/95/12/917769512.db2.gz RHDVTGWMGDWKLL-YRGRVCCFSA-N 2 1 287.379 -0.151 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@H+](CCF)C2)CC[NH+]1C ZINC001484217303 917769521 /nfs/dbraw/zinc/76/95/21/917769521.db2.gz RHDVTGWMGDWKLL-YRGRVCCFSA-N 2 1 287.379 -0.151 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)CC[NH+]1C ZINC001484217303 917769529 /nfs/dbraw/zinc/76/95/29/917769529.db2.gz RHDVTGWMGDWKLL-YRGRVCCFSA-N 2 1 287.379 -0.151 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001484251483 917790535 /nfs/dbraw/zinc/79/05/35/917790535.db2.gz OWGMZGWDYWEXTK-BXUZGUMPSA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001484251483 917790553 /nfs/dbraw/zinc/79/05/53/917790553.db2.gz OWGMZGWDYWEXTK-BXUZGUMPSA-N 2 1 296.371 -0.875 20 0 CBADMP CO[C@@H](C)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001484478150 917866615 /nfs/dbraw/zinc/86/66/15/917866615.db2.gz HYKUYXHMHLKVSC-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](CC[NH2+]CCO)C2)C1 ZINC001484551721 917887451 /nfs/dbraw/zinc/88/74/51/917887451.db2.gz OQQXEQJQIBRWIF-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](CC[NH2+]CCO)C2)C1 ZINC001484551721 917887462 /nfs/dbraw/zinc/88/74/62/917887462.db2.gz OQQXEQJQIBRWIF-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP CO[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001484628247 917902000 /nfs/dbraw/zinc/90/20/00/917902000.db2.gz DQYYNKBZWFBREZ-QWHCGFSZSA-N 2 1 299.415 -0.020 20 0 CBADMP CO[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001484628247 917902008 /nfs/dbraw/zinc/90/20/08/917902008.db2.gz DQYYNKBZWFBREZ-QWHCGFSZSA-N 2 1 299.415 -0.020 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001484765370 917936745 /nfs/dbraw/zinc/93/67/45/917936745.db2.gz CUCUNLJPUPHRMN-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001484765370 917936762 /nfs/dbraw/zinc/93/67/62/917936762.db2.gz CUCUNLJPUPHRMN-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001484765370 917936778 /nfs/dbraw/zinc/93/67/78/917936778.db2.gz CUCUNLJPUPHRMN-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)C1 ZINC001484927129 917967547 /nfs/dbraw/zinc/96/75/47/917967547.db2.gz IHVRMCIQECSTAW-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)C1 ZINC001484927130 917968446 /nfs/dbraw/zinc/96/84/46/917968446.db2.gz IHVRMCIQECSTAW-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)[C@H](C)[NH2+]CCO ZINC001485166362 918020286 /nfs/dbraw/zinc/02/02/86/918020286.db2.gz BEVHHKZHBWCPBS-VHSXEESVSA-N 2 1 284.360 -0.175 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CC(=O)N(C)C ZINC001485352350 918085692 /nfs/dbraw/zinc/08/56/92/918085692.db2.gz YJGLBSQHOBUGPB-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)CC(=O)N(C)C ZINC001485352350 918085705 /nfs/dbraw/zinc/08/57/05/918085705.db2.gz YJGLBSQHOBUGPB-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)CC(=O)N(C)C ZINC001485352350 918085720 /nfs/dbraw/zinc/08/57/20/918085720.db2.gz YJGLBSQHOBUGPB-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)CC(=O)N(C)C ZINC001485352350 918085735 /nfs/dbraw/zinc/08/57/35/918085735.db2.gz YJGLBSQHOBUGPB-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@H]1CCNC1=O ZINC001485371447 918099851 /nfs/dbraw/zinc/09/98/51/918099851.db2.gz WRETUROFYQNQTN-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC001485371447 918099865 /nfs/dbraw/zinc/09/98/65/918099865.db2.gz WRETUROFYQNQTN-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001485371447 918099874 /nfs/dbraw/zinc/09/98/74/918099874.db2.gz WRETUROFYQNQTN-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@@H]1CCNC1=O ZINC001485371448 918102890 /nfs/dbraw/zinc/10/28/90/918102890.db2.gz WRETUROFYQNQTN-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC001485371448 918102897 /nfs/dbraw/zinc/10/28/97/918102897.db2.gz WRETUROFYQNQTN-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001485371448 918102906 /nfs/dbraw/zinc/10/29/06/918102906.db2.gz WRETUROFYQNQTN-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001485389619 918105226 /nfs/dbraw/zinc/10/52/26/918105226.db2.gz UPEMRXXDAUIBBY-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001485389619 918105232 /nfs/dbraw/zinc/10/52/32/918105232.db2.gz UPEMRXXDAUIBBY-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001485389619 918105238 /nfs/dbraw/zinc/10/52/38/918105238.db2.gz UPEMRXXDAUIBBY-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001485389619 918105243 /nfs/dbraw/zinc/10/52/43/918105243.db2.gz UPEMRXXDAUIBBY-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP C[C@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485556675 918142918 /nfs/dbraw/zinc/14/29/18/918142918.db2.gz WFRDEZNGNHJDAI-ZFWWWQNUSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485556675 918142932 /nfs/dbraw/zinc/14/29/32/918142932.db2.gz WFRDEZNGNHJDAI-ZFWWWQNUSA-N 2 1 299.415 -0.378 20 0 CBADMP COCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485715520 918174729 /nfs/dbraw/zinc/17/47/29/918174729.db2.gz AQLWMNSVTXEQPF-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP COCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485715520 918174735 /nfs/dbraw/zinc/17/47/35/918174735.db2.gz AQLWMNSVTXEQPF-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCCC2)C1 ZINC001485982603 918274708 /nfs/dbraw/zinc/27/47/08/918274708.db2.gz NEAWEKKUNCAUSI-UONOGXRCSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCCC2)C1 ZINC001485982603 918274718 /nfs/dbraw/zinc/27/47/18/918274718.db2.gz NEAWEKKUNCAUSI-UONOGXRCSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC2CCCC2)C1 ZINC001485982602 918275642 /nfs/dbraw/zinc/27/56/42/918275642.db2.gz NEAWEKKUNCAUSI-KGLIPLIRSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC2CCCC2)C1 ZINC001485982602 918275655 /nfs/dbraw/zinc/27/56/55/918275655.db2.gz NEAWEKKUNCAUSI-KGLIPLIRSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC1CCOCC1 ZINC001485984150 918277351 /nfs/dbraw/zinc/27/73/51/918277351.db2.gz YZHDSNJAJZPSCQ-KGLIPLIRSA-N 2 1 299.415 -0.426 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+]CC1CC1 ZINC001486017253 918312031 /nfs/dbraw/zinc/31/20/31/918312031.db2.gz RDVVKOISMLTFGU-GFCCVEGCSA-N 2 1 266.345 -0.332 20 0 CBADMP CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001486026755 918317477 /nfs/dbraw/zinc/31/74/77/918317477.db2.gz IGKSAFUVWAOGNJ-NEPJUHHUSA-N 2 1 280.372 -0.159 20 0 CBADMP Cc1nc(C)c(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)o1 ZINC001486031827 918324826 /nfs/dbraw/zinc/32/48/26/918324826.db2.gz WYLNXVPVGPWKBK-GFCCVEGCSA-N 2 1 298.387 -0.190 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001486218947 918383960 /nfs/dbraw/zinc/38/39/60/918383960.db2.gz AUJMJDBSXOLSDF-VXGBXAGGSA-N 2 1 293.371 -0.449 20 0 CBADMP CC[C@H](C(=O)NCC1=CC[N@@H+]([C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC001486518727 918478218 /nfs/dbraw/zinc/47/82/18/918478218.db2.gz GMBAKECHBJOGFR-WCQYABFASA-N 2 1 296.415 -0.051 20 0 CBADMP CC[C@H](C(=O)NCC1=CC[N@H+]([C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC001486518727 918478229 /nfs/dbraw/zinc/47/82/29/918478229.db2.gz GMBAKECHBJOGFR-WCQYABFASA-N 2 1 296.415 -0.051 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001490213035 918869012 /nfs/dbraw/zinc/86/90/12/918869012.db2.gz BFTNSJOFAAQBGC-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001490213035 918869024 /nfs/dbraw/zinc/86/90/24/918869024.db2.gz BFTNSJOFAAQBGC-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001490213035 918869035 /nfs/dbraw/zinc/86/90/35/918869035.db2.gz BFTNSJOFAAQBGC-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CNC(=O)C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001490394467 918901825 /nfs/dbraw/zinc/90/18/25/918901825.db2.gz VVNMIKZYLFFRHZ-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001490394467 918901833 /nfs/dbraw/zinc/90/18/33/918901833.db2.gz VVNMIKZYLFFRHZ-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490394467 918901842 /nfs/dbraw/zinc/90/18/42/918901842.db2.gz VVNMIKZYLFFRHZ-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](CCO)CC1 ZINC001490467083 918910290 /nfs/dbraw/zinc/91/02/90/918910290.db2.gz VVLYIJLAZIKLED-AWEZNQCLSA-N 2 1 298.431 -0.803 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCN1CC[NH+](CCO)CC1 ZINC001490494795 918918765 /nfs/dbraw/zinc/91/87/65/918918765.db2.gz NMZSSUDSFDAXBF-CQSZACIVSA-N 2 1 298.431 -0.803 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001490504526 918919493 /nfs/dbraw/zinc/91/94/93/918919493.db2.gz AXYWWCYQZYTCHS-AWEZNQCLSA-N 2 1 298.431 -0.946 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CCF)C2CC2)C1 ZINC001490649462 918953008 /nfs/dbraw/zinc/95/30/08/918953008.db2.gz SXHSOAXLMVJXDZ-RYUDHWBXSA-N 2 1 273.352 -0.229 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CCF)C2CC2)C1 ZINC001490649462 918953017 /nfs/dbraw/zinc/95/30/17/918953017.db2.gz SXHSOAXLMVJXDZ-RYUDHWBXSA-N 2 1 273.352 -0.229 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001490751588 918968306 /nfs/dbraw/zinc/96/83/06/918968306.db2.gz HDFZEPWFGJHHAR-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001490751588 918968312 /nfs/dbraw/zinc/96/83/12/918968312.db2.gz HDFZEPWFGJHHAR-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001490751588 918968322 /nfs/dbraw/zinc/96/83/22/918968322.db2.gz HDFZEPWFGJHHAR-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001490949654 918993421 /nfs/dbraw/zinc/99/34/21/918993421.db2.gz OFIKEPFRJNEZTH-HAQNSBGRSA-N 2 1 257.378 -0.053 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001490939970 918993583 /nfs/dbraw/zinc/99/35/83/918993583.db2.gz CSUVULRIBLXLDR-GMTAPVOTSA-N 2 1 270.377 -0.561 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001490940923 918993792 /nfs/dbraw/zinc/99/37/92/918993792.db2.gz LMGISJJEIWVFNN-XYPYZODXSA-N 2 1 295.391 -0.711 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001490940923 918993808 /nfs/dbraw/zinc/99/38/08/918993808.db2.gz LMGISJJEIWVFNN-XYPYZODXSA-N 2 1 295.391 -0.711 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1)C(N)=O ZINC001491080500 919025639 /nfs/dbraw/zinc/02/56/39/919025639.db2.gz OQFQEEWSOKGNKD-GRYCIOLGSA-N 2 1 284.404 -0.173 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001491120465 919041260 /nfs/dbraw/zinc/04/12/60/919041260.db2.gz OPYAZXWIWSUSEM-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001491178329 919068263 /nfs/dbraw/zinc/06/82/63/919068263.db2.gz CVRDUVJYWFWHTC-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001491413606 919145618 /nfs/dbraw/zinc/14/56/18/919145618.db2.gz FLUJXQXSYVMZHL-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001491557288 919201727 /nfs/dbraw/zinc/20/17/27/919201727.db2.gz BYANQAYNINVKGH-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccn(C)n1 ZINC001491674795 919252017 /nfs/dbraw/zinc/25/20/17/919252017.db2.gz WJEPSCDRSRMDJP-NWDGAFQWSA-N 2 1 279.388 -0.034 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001491684565 919253181 /nfs/dbraw/zinc/25/31/81/919253181.db2.gz WOCUVFKYZPVXLV-NWDGAFQWSA-N 2 1 284.404 -0.301 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC)C1 ZINC001491849702 919293029 /nfs/dbraw/zinc/29/30/29/919293029.db2.gz KQMFAPYFNOYLOJ-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)CCn2cncn2)CC1 ZINC001492388595 919406791 /nfs/dbraw/zinc/40/67/91/919406791.db2.gz GBXUYMAAVCMTHM-UHFFFAOYSA-N 2 1 294.403 -0.332 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@H](C)C(N)=O ZINC001493023452 919470581 /nfs/dbraw/zinc/47/05/81/919470581.db2.gz WBWYYWCFECQVAI-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@H](C)C(N)=O ZINC001493023452 919470588 /nfs/dbraw/zinc/47/05/88/919470588.db2.gz WBWYYWCFECQVAI-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H](C)C(N)=O ZINC001493023452 919470597 /nfs/dbraw/zinc/47/05/97/919470597.db2.gz WBWYYWCFECQVAI-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@H](C)C(N)=O ZINC001493023452 919470604 /nfs/dbraw/zinc/47/06/04/919470604.db2.gz WBWYYWCFECQVAI-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001493059063 919475599 /nfs/dbraw/zinc/47/55/99/919475599.db2.gz VEAFKGPVFIGGBQ-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001493059063 919475603 /nfs/dbraw/zinc/47/56/03/919475603.db2.gz VEAFKGPVFIGGBQ-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001493059063 919475610 /nfs/dbraw/zinc/47/56/10/919475610.db2.gz VEAFKGPVFIGGBQ-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP Cn1nncc1C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001493131109 919484579 /nfs/dbraw/zinc/48/45/79/919484579.db2.gz HVEMAOARLFVQCU-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP Cn1nncc1C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001493131109 919484587 /nfs/dbraw/zinc/48/45/87/919484587.db2.gz HVEMAOARLFVQCU-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493232587 919508429 /nfs/dbraw/zinc/50/84/29/919508429.db2.gz GCISHMXTVOMGEX-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001493236935 919510230 /nfs/dbraw/zinc/51/02/30/919510230.db2.gz OCQVLQCIEOERMP-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001493236935 919510244 /nfs/dbraw/zinc/51/02/44/919510244.db2.gz OCQVLQCIEOERMP-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001493236935 919510254 /nfs/dbraw/zinc/51/02/54/919510254.db2.gz OCQVLQCIEOERMP-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001493262309 919515942 /nfs/dbraw/zinc/51/59/42/919515942.db2.gz FQMUHJRPYKXZRO-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001493551938 919577063 /nfs/dbraw/zinc/57/70/63/919577063.db2.gz VIXWMSPQXZYZCH-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP COCC[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001493630653 919593379 /nfs/dbraw/zinc/59/33/79/919593379.db2.gz MZNYQZHIADCAPU-UHFFFAOYSA-N 2 1 254.334 -0.114 20 0 CBADMP CN(CCNCc1ccn(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001493793943 919620664 /nfs/dbraw/zinc/62/06/64/919620664.db2.gz PKSBDTBVRRCELA-GFCCVEGCSA-N 2 1 279.388 -0.080 20 0 CBADMP CN(CC[NH2+]Cc1ccn(C)n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493793943 919620669 /nfs/dbraw/zinc/62/06/69/919620669.db2.gz PKSBDTBVRRCELA-GFCCVEGCSA-N 2 1 279.388 -0.080 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001494141532 919661623 /nfs/dbraw/zinc/66/16/23/919661623.db2.gz NFKKJLKFPXUDDG-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001494141532 919661630 /nfs/dbraw/zinc/66/16/30/919661630.db2.gz NFKKJLKFPXUDDG-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001494141532 919661637 /nfs/dbraw/zinc/66/16/37/919661637.db2.gz NFKKJLKFPXUDDG-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001494141534 919661665 /nfs/dbraw/zinc/66/16/65/919661665.db2.gz NFKKJLKFPXUDDG-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001494141534 919661672 /nfs/dbraw/zinc/66/16/72/919661672.db2.gz NFKKJLKFPXUDDG-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001494141534 919661680 /nfs/dbraw/zinc/66/16/80/919661680.db2.gz NFKKJLKFPXUDDG-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001494629349 919757184 /nfs/dbraw/zinc/75/71/84/919757184.db2.gz YVGBACWJUUOGML-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](C[C@@H](C)O)C1 ZINC001494633803 919757338 /nfs/dbraw/zinc/75/73/38/919757338.db2.gz UWHMXTOVMRWMSF-LLVKDONJSA-N 2 1 257.378 -0.245 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](CCO)C2)CCC1 ZINC001494758657 919786671 /nfs/dbraw/zinc/78/66/71/919786671.db2.gz UCCQOIQLIOWIPK-LLVKDONJSA-N 2 1 255.362 -0.347 20 0 CBADMP CN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](CCO)C1 ZINC001494841452 919804077 /nfs/dbraw/zinc/80/40/77/919804077.db2.gz HTOWNNMLAMZBEI-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001494924534 919813981 /nfs/dbraw/zinc/81/39/81/919813981.db2.gz LZWUWYZPLVKSPD-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCCOC ZINC001494960031 919829549 /nfs/dbraw/zinc/82/95/49/919829549.db2.gz SGNKSGFFWQCAPN-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCCOC ZINC001494960031 919829559 /nfs/dbraw/zinc/82/95/59/919829559.db2.gz SGNKSGFFWQCAPN-OLZOCXBDSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)[NH2+]CCOC ZINC001495109380 919864199 /nfs/dbraw/zinc/86/41/99/919864199.db2.gz VKGVYENTJFRHPB-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)[NH2+]CCOC ZINC001495109380 919864206 /nfs/dbraw/zinc/86/42/06/919864206.db2.gz VKGVYENTJFRHPB-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@H](C)C(N)=O ZINC001495110433 919866884 /nfs/dbraw/zinc/86/68/84/919866884.db2.gz XNCCDRQGSOGBPR-KOLCDFICSA-N 2 1 281.360 -0.450 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]CCCO ZINC001495636256 919916630 /nfs/dbraw/zinc/91/66/30/919916630.db2.gz XILJNORYRYONAC-NEPJUHHUSA-N 2 1 273.377 -0.959 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]CCCO ZINC001495636256 919916644 /nfs/dbraw/zinc/91/66/44/919916644.db2.gz XILJNORYRYONAC-NEPJUHHUSA-N 2 1 273.377 -0.959 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001495706378 919931198 /nfs/dbraw/zinc/93/11/98/919931198.db2.gz PRVDYELMMUUJKW-ONGXEEELSA-N 2 1 281.360 -0.593 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)C[NH+]1CCCC1 ZINC001495912108 919986132 /nfs/dbraw/zinc/98/61/32/919986132.db2.gz RNMMUQGXMXTPCS-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001496031535 920012193 /nfs/dbraw/zinc/01/21/93/920012193.db2.gz UARXGVNZHIOFEQ-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001496031535 920012211 /nfs/dbraw/zinc/01/22/11/920012211.db2.gz UARXGVNZHIOFEQ-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001496208959 920044452 /nfs/dbraw/zinc/04/44/52/920044452.db2.gz ICGZCWXXYCLLOG-MNOVXSKESA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496230033 920047734 /nfs/dbraw/zinc/04/77/34/920047734.db2.gz PDNOTGXLQKYUGU-WDEREUQCSA-N 2 1 295.391 -0.902 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496230033 920047753 /nfs/dbraw/zinc/04/77/53/920047753.db2.gz PDNOTGXLQKYUGU-WDEREUQCSA-N 2 1 295.391 -0.902 20 0 CBADMP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001496260669 920052735 /nfs/dbraw/zinc/05/27/35/920052735.db2.gz CCMQPIAPEGAGRP-NEPJUHHUSA-N 2 1 284.404 -0.314 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001497362763 920292057 /nfs/dbraw/zinc/29/20/57/920292057.db2.gz UEWPZWMBGNRGSW-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001497362764 920292130 /nfs/dbraw/zinc/29/21/30/920292130.db2.gz UEWPZWMBGNRGSW-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCN(CC[NH2+]CCCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001497361331 920292616 /nfs/dbraw/zinc/29/26/16/920292616.db2.gz CMUMOIXIHUYMLD-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CCN(CC[NH2+]CC(N)=O)C(=O)Cn1c[nH+]cc1C ZINC001497424154 920306819 /nfs/dbraw/zinc/30/68/19/920306819.db2.gz KLOGFBUEEXAOLO-UHFFFAOYSA-N 2 1 267.333 -0.885 20 0 CBADMP CCN(CC[NH2+]CCn1cncn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497495287 920312594 /nfs/dbraw/zinc/31/25/94/920312594.db2.gz CHYAAHJQTQLSGD-ZDUSSCGKSA-N 2 1 294.403 -0.332 20 0 CBADMP C[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001497650078 920356741 /nfs/dbraw/zinc/35/67/41/920356741.db2.gz NNPWIWQCXZOUFU-HEKLCECKSA-N 2 1 255.362 -0.277 20 0 CBADMP CC[C@H]([NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001497729710 920375501 /nfs/dbraw/zinc/37/55/01/920375501.db2.gz HVDJULYCJVBXAJ-CIUCYMIDSA-N 2 1 296.415 -0.146 20 0 CBADMP CCn1nncc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001497798635 920388458 /nfs/dbraw/zinc/38/84/58/920388458.db2.gz ZVBXLLAVQZGODW-YPMHNXCESA-N 2 1 294.403 -0.014 20 0 CBADMP C[C@H](C[NH2+]CCn1cccn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001497798980 920391354 /nfs/dbraw/zinc/39/13/54/920391354.db2.gz KTFZKTOJQRPIIH-CHWSQXEVSA-N 2 1 295.387 -0.692 20 0 CBADMP C[C@H](C[NH2+]CCn1cccn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001497798980 920391370 /nfs/dbraw/zinc/39/13/70/920391370.db2.gz KTFZKTOJQRPIIH-CHWSQXEVSA-N 2 1 295.387 -0.692 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]C[C@H](C)O ZINC001497856135 920410501 /nfs/dbraw/zinc/41/05/01/920410501.db2.gz HXFGWADHZNQXAY-KOLCDFICSA-N 2 1 254.334 -0.333 20 0 CBADMP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001497877749 920414515 /nfs/dbraw/zinc/41/45/15/920414515.db2.gz PPARWTBHMJUGTJ-IJLUTSLNSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001497877748 920415487 /nfs/dbraw/zinc/41/54/87/920415487.db2.gz PPARWTBHMJUGTJ-GRYCIOLGSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498190688 920513846 /nfs/dbraw/zinc/51/38/46/920513846.db2.gz RPAJYBXCROECGX-WDEREUQCSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001498190688 920513856 /nfs/dbraw/zinc/51/38/56/920513856.db2.gz RPAJYBXCROECGX-WDEREUQCSA-N 2 1 280.376 -0.639 20 0 CBADMP CC[NH+](CC)CC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001498195393 920514449 /nfs/dbraw/zinc/51/44/49/920514449.db2.gz KXGPAFCMGFZNSJ-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001498197295 920516040 /nfs/dbraw/zinc/51/60/40/920516040.db2.gz ITHVBQDQCWUWCG-NSHDSACASA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001498197295 920516048 /nfs/dbraw/zinc/51/60/48/920516048.db2.gz ITHVBQDQCWUWCG-NSHDSACASA-N 2 1 282.392 -0.250 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001498288491 920542840 /nfs/dbraw/zinc/54/28/40/920542840.db2.gz MFMRHWARDQUTCN-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001498288491 920542854 /nfs/dbraw/zinc/54/28/54/920542854.db2.gz MFMRHWARDQUTCN-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498288491 920542859 /nfs/dbraw/zinc/54/28/59/920542859.db2.gz MFMRHWARDQUTCN-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001498288491 920542874 /nfs/dbraw/zinc/54/28/74/920542874.db2.gz MFMRHWARDQUTCN-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001498369398 920567070 /nfs/dbraw/zinc/56/70/70/920567070.db2.gz MWBGVDIKZGFODX-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001498369398 920567088 /nfs/dbraw/zinc/56/70/88/920567088.db2.gz MWBGVDIKZGFODX-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H](C)C(N)=O ZINC001498432947 920585276 /nfs/dbraw/zinc/58/52/76/920585276.db2.gz ATTRIAIGLMXPAD-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H](C)C(N)=O ZINC001498432947 920585291 /nfs/dbraw/zinc/58/52/91/920585291.db2.gz ATTRIAIGLMXPAD-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001498432947 920585301 /nfs/dbraw/zinc/58/53/01/920585301.db2.gz ATTRIAIGLMXPAD-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001498432947 920585313 /nfs/dbraw/zinc/58/53/13/920585313.db2.gz ATTRIAIGLMXPAD-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001498449933 920588282 /nfs/dbraw/zinc/58/82/82/920588282.db2.gz IWYXMAMHXLKUAR-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001498449933 920588296 /nfs/dbraw/zinc/58/82/96/920588296.db2.gz IWYXMAMHXLKUAR-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001498449933 920588310 /nfs/dbraw/zinc/58/83/10/920588310.db2.gz IWYXMAMHXLKUAR-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001498449933 920588322 /nfs/dbraw/zinc/58/83/22/920588322.db2.gz IWYXMAMHXLKUAR-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP COC[C@H](O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001498525966 920603252 /nfs/dbraw/zinc/60/32/52/920603252.db2.gz IFVPHALTRPRPKJ-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001498611791 920615150 /nfs/dbraw/zinc/61/51/50/920615150.db2.gz BGCAXZWPIGDOAE-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001498758195 920635837 /nfs/dbraw/zinc/63/58/37/920635837.db2.gz GUYROHGLPOMQDL-RTXFEEFZSA-N 2 1 296.415 -0.443 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C[NH2+][C@H](C)C(N)=O)C1CC1 ZINC001498788127 920639662 /nfs/dbraw/zinc/63/96/62/920639662.db2.gz CEZZWJPMYLOSBS-PWSUYJOCSA-N 2 1 293.371 -0.450 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C[NH2+]CCO)C1CC1 ZINC001498863749 920650221 /nfs/dbraw/zinc/65/02/21/920650221.db2.gz NGEHJDARERRIGS-LBPRGKRZSA-N 2 1 266.345 -0.332 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH2+]CCO)C1CC1 ZINC001498878253 920652700 /nfs/dbraw/zinc/65/27/00/920652700.db2.gz ZQMSOZXZRSIFJL-GFCCVEGCSA-N 2 1 257.378 -0.197 20 0 CBADMP CCCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001499183643 920715938 /nfs/dbraw/zinc/71/59/38/920715938.db2.gz GKWKIWRTVKCABN-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP CN(C)C(=O)C[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001499248688 920723999 /nfs/dbraw/zinc/72/39/99/920723999.db2.gz JCOUOITXTOTYLG-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1 ZINC001499290421 920730390 /nfs/dbraw/zinc/73/03/90/920730390.db2.gz YIDNNMAWHXQNLD-JTQLQIEISA-N 2 1 279.344 -0.696 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NCC2([NH2+]CCO)CC2)no1 ZINC001499271580 920730943 /nfs/dbraw/zinc/73/09/43/920730943.db2.gz HHPFZIMIQZZXOE-UHFFFAOYSA-N 2 1 282.344 -0.420 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1([NH2+]CCO)CC1)C2 ZINC001499351543 920741830 /nfs/dbraw/zinc/74/18/30/920741830.db2.gz CNZYXQMSDQMZQW-LBPRGKRZSA-N 2 1 292.383 -0.015 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@@H](C)COC)CC2)C1 ZINC001499454977 920748873 /nfs/dbraw/zinc/74/88/73/920748873.db2.gz CCHCRTDTDZWBDT-QWHCGFSZSA-N 2 1 299.415 -0.020 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@@H](C)COC)CC2)C1 ZINC001499454977 920748879 /nfs/dbraw/zinc/74/88/79/920748879.db2.gz CCHCRTDTDZWBDT-QWHCGFSZSA-N 2 1 299.415 -0.020 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001499896462 920783455 /nfs/dbraw/zinc/78/34/55/920783455.db2.gz KWVNEAKRPRYZGF-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP CN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001500258730 920824166 /nfs/dbraw/zinc/82/41/66/920824166.db2.gz WNRDUYPKVSGEGP-IUODEOHRSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500762825 920877407 /nfs/dbraw/zinc/87/74/07/920877407.db2.gz PVOFMOQZDBHNLY-GXTWGEPZSA-N 2 1 285.388 -0.984 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CCF)C1 ZINC001500767074 920881539 /nfs/dbraw/zinc/88/15/39/920881539.db2.gz WMWOXINQVFBBNJ-CYBMUJFWSA-N 2 1 275.368 -0.151 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CCF)C1 ZINC001500767074 920881556 /nfs/dbraw/zinc/88/15/56/920881556.db2.gz WMWOXINQVFBBNJ-CYBMUJFWSA-N 2 1 275.368 -0.151 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001500767074 920881568 /nfs/dbraw/zinc/88/15/68/920881568.db2.gz WMWOXINQVFBBNJ-CYBMUJFWSA-N 2 1 275.368 -0.151 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001500767074 920881584 /nfs/dbraw/zinc/88/15/84/920881584.db2.gz WMWOXINQVFBBNJ-CYBMUJFWSA-N 2 1 275.368 -0.151 20 0 CBADMP CCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500976915 920933226 /nfs/dbraw/zinc/93/32/26/920933226.db2.gz PZYJFQGFIILNTA-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500976915 920933244 /nfs/dbraw/zinc/93/32/44/920933244.db2.gz PZYJFQGFIILNTA-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001507472462 921839602 /nfs/dbraw/zinc/83/96/02/921839602.db2.gz VBXLSUONRJIOTJ-RYUDHWBXSA-N 2 1 257.378 -0.102 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001507726797 921893023 /nfs/dbraw/zinc/89/30/23/921893023.db2.gz NBVLFVUJPUEJTN-CHWSQXEVSA-N 2 1 287.404 -0.664 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507726797 921893039 /nfs/dbraw/zinc/89/30/39/921893039.db2.gz NBVLFVUJPUEJTN-CHWSQXEVSA-N 2 1 287.404 -0.664 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507726797 921893049 /nfs/dbraw/zinc/89/30/49/921893049.db2.gz NBVLFVUJPUEJTN-CHWSQXEVSA-N 2 1 287.404 -0.664 20 0 CBADMP CC(C)N(CC[N@H+](C)[C@@H](C)C(N)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001507862872 921898767 /nfs/dbraw/zinc/89/87/67/921898767.db2.gz MCYXVZFSNVRIBZ-QWHCGFSZSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)N(CC[N@@H+](C)[C@@H](C)C(N)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001507862872 921898774 /nfs/dbraw/zinc/89/87/74/921898774.db2.gz MCYXVZFSNVRIBZ-QWHCGFSZSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)N(CC[NH+](C)[C@@H](C)C(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507862872 921898781 /nfs/dbraw/zinc/89/87/81/921898781.db2.gz MCYXVZFSNVRIBZ-QWHCGFSZSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)N(CC[NH+](C)[C@@H](C)C(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507862872 921898787 /nfs/dbraw/zinc/89/87/87/921898787.db2.gz MCYXVZFSNVRIBZ-QWHCGFSZSA-N 2 1 298.431 -0.019 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)O ZINC001507729395 921898945 /nfs/dbraw/zinc/89/89/45/921898945.db2.gz PFNBDYMTHSJCIQ-YPMHNXCESA-N 2 1 298.387 -0.677 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@@H](C)O ZINC001507729395 921898952 /nfs/dbraw/zinc/89/89/52/921898952.db2.gz PFNBDYMTHSJCIQ-YPMHNXCESA-N 2 1 298.387 -0.677 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@H](C)O ZINC001507729393 921899065 /nfs/dbraw/zinc/89/90/65/921899065.db2.gz PFNBDYMTHSJCIQ-WCQYABFASA-N 2 1 298.387 -0.677 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[N@H+](C)C[C@H](C)O ZINC001507729393 921899075 /nfs/dbraw/zinc/89/90/75/921899075.db2.gz PFNBDYMTHSJCIQ-WCQYABFASA-N 2 1 298.387 -0.677 20 0 CBADMP COC[C@@H]1C[NH2+]CCN1C(=O)Cn1cc[nH+]c1C ZINC001514595894 922208080 /nfs/dbraw/zinc/20/80/80/922208080.db2.gz MZRTZMBXTMUDDL-NSHDSACASA-N 2 1 252.318 -0.362 20 0 CBADMP COC[C@H]1C[NH2+]CCN1C(=O)Cn1c[nH+]cc1C ZINC001514598581 922208295 /nfs/dbraw/zinc/20/82/95/922208295.db2.gz YUPRTHTUXKXCQO-LLVKDONJSA-N 2 1 252.318 -0.362 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(c2nccnc2C[NH3+])[C@@H](C)C1 ZINC001515658623 922242304 /nfs/dbraw/zinc/24/23/04/922242304.db2.gz JMWKTCBXPNGELL-QWRGUYRKSA-N 2 1 265.361 -0.173 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001521158697 922335498 /nfs/dbraw/zinc/33/54/98/922335498.db2.gz QXEPHSOTSQBCSI-LBPRGKRZSA-N 2 1 257.378 -0.210 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001521462383 922357811 /nfs/dbraw/zinc/35/78/11/922357811.db2.gz FFEQJVNGKQLMTN-GFCCVEGCSA-N 2 1 256.394 -0.262 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001521462384 922358048 /nfs/dbraw/zinc/35/80/48/922358048.db2.gz FFEQJVNGKQLMTN-LBPRGKRZSA-N 2 1 256.394 -0.262 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001521495798 922359984 /nfs/dbraw/zinc/35/99/84/922359984.db2.gz LGEXKXQHKQMIPC-OLZOCXBDSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001521495800 922362788 /nfs/dbraw/zinc/36/27/88/922362788.db2.gz LGEXKXQHKQMIPC-STQMWFEESA-N 2 1 296.415 -0.358 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C ZINC001521899196 922386560 /nfs/dbraw/zinc/38/65/60/922386560.db2.gz UBDKJJJIAREGDI-UPJWGTAASA-N 2 1 266.389 -0.415 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001521899196 922386576 /nfs/dbraw/zinc/38/65/76/922386576.db2.gz UBDKJJJIAREGDI-UPJWGTAASA-N 2 1 266.389 -0.415 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001521899196 922386586 /nfs/dbraw/zinc/38/65/86/922386586.db2.gz UBDKJJJIAREGDI-UPJWGTAASA-N 2 1 266.389 -0.415 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)c1cnn(C)c1 ZINC001522247462 922402817 /nfs/dbraw/zinc/40/28/17/922402817.db2.gz CSRQTNLMWLAAQV-GDPRMGEGSA-N 2 1 251.334 -0.453 20 0 CBADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C[C@H](O)C[NH3+] ZINC001522344739 922408264 /nfs/dbraw/zinc/40/82/64/922408264.db2.gz YIYJZUCYGUGYDZ-AAEUAGOBSA-N 2 1 263.341 -0.001 20 0 CBADMP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C[C@H](O)C[NH3+] ZINC001522344739 922408268 /nfs/dbraw/zinc/40/82/68/922408268.db2.gz YIYJZUCYGUGYDZ-AAEUAGOBSA-N 2 1 263.341 -0.001 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001522654114 922499134 /nfs/dbraw/zinc/49/91/34/922499134.db2.gz NAIASWHHKVHYGV-GFCCVEGCSA-N 2 1 293.371 -0.624 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001522654114 922499142 /nfs/dbraw/zinc/49/91/42/922499142.db2.gz NAIASWHHKVHYGV-GFCCVEGCSA-N 2 1 293.371 -0.624 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)CC[N@H+]1C ZINC001522857760 922537112 /nfs/dbraw/zinc/53/71/12/922537112.db2.gz NQURUGPCUTYLLR-MDZLAQPJSA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC001523009867 922558457 /nfs/dbraw/zinc/55/84/57/922558457.db2.gz KKSKMNLVBGINND-YPMHNXCESA-N 2 1 255.362 -0.360 20 0 CBADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC001523475428 922595613 /nfs/dbraw/zinc/59/56/13/922595613.db2.gz UXGYMJRBBWBMNQ-GXFFZTMASA-N 2 1 261.329 -0.076 20 0 CBADMP CN1CCN(C(=O)[C@H]2CCC[NH2+]2)CC[N@H+](C)CC1 ZINC001523482035 922596813 /nfs/dbraw/zinc/59/68/13/922596813.db2.gz JDYXCDCVIOVHHW-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP CN1CCN(C(=O)[C@H]2CCC[NH2+]2)CC[N@@H+](C)CC1 ZINC001523482035 922596825 /nfs/dbraw/zinc/59/68/25/922596825.db2.gz JDYXCDCVIOVHHW-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001523482823 922596848 /nfs/dbraw/zinc/59/68/48/922596848.db2.gz WZHNDYZGUWJCLM-ZIAGYGMSSA-N 2 1 282.432 -0.062 20 0 CBADMP CC(C)C[NH2+]CC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001523482827 922597370 /nfs/dbraw/zinc/59/73/70/922597370.db2.gz XFZMHCMNMZCKOX-UHFFFAOYSA-N 2 1 270.421 -0.062 20 0 CBADMP CC(C)C[NH2+]CC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001523482827 922597387 /nfs/dbraw/zinc/59/73/87/922597387.db2.gz XFZMHCMNMZCKOX-UHFFFAOYSA-N 2 1 270.421 -0.062 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC001548553732 923376839 /nfs/dbraw/zinc/37/68/39/923376839.db2.gz OEVGXTWUDPQTEW-QWHCGFSZSA-N 2 1 285.388 -0.591 20 0 CBADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C[C@H](O)C[NH3+] ZINC001548557628 923380751 /nfs/dbraw/zinc/38/07/51/923380751.db2.gz JEPYSZAGTSKVDC-AAEUAGOBSA-N 2 1 293.367 -0.122 20 0 CBADMP C[C@@H]1C[N@H+](CCNC(=O)C[C@@]2(O)CCC[NH2+]C2)[C@H](C)CO1 ZINC001548570883 923394803 /nfs/dbraw/zinc/39/48/03/923394803.db2.gz XZLNBGVNJWXYAZ-NFAWXSAZSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@]2(O)CCC[NH2+]C2)[C@H](C)CO1 ZINC001548570883 923394815 /nfs/dbraw/zinc/39/48/15/923394815.db2.gz XZLNBGVNJWXYAZ-NFAWXSAZSA-N 2 1 299.415 -0.284 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)C1CC[NH+](C)CC1 ZINC001548613178 923406146 /nfs/dbraw/zinc/40/61/46/923406146.db2.gz GPBDMIYJYLVAOV-GXTWGEPZSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CCCCC1 ZINC001548625880 923410305 /nfs/dbraw/zinc/41/03/05/923410305.db2.gz RJDUICWMPUWRFQ-ZIAGYGMSSA-N 2 1 280.416 -0.023 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548623845 923410810 /nfs/dbraw/zinc/41/08/10/923410810.db2.gz HMGZMQMAAZYAST-KBPBESRZSA-N 2 1 280.416 -0.073 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548623847 923411179 /nfs/dbraw/zinc/41/11/79/923411179.db2.gz HMGZMQMAAZYAST-UONOGXRCSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC001548630671 923417608 /nfs/dbraw/zinc/41/76/08/923417608.db2.gz JZEVPQCFOVIBFF-UMVBOHGHSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001548630671 923417618 /nfs/dbraw/zinc/41/76/18/923417618.db2.gz JZEVPQCFOVIBFF-UMVBOHGHSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001548630671 923417628 /nfs/dbraw/zinc/41/76/28/923417628.db2.gz JZEVPQCFOVIBFF-UMVBOHGHSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[C@H]1C[NH+](C)C ZINC001548638124 923421955 /nfs/dbraw/zinc/42/19/55/923421955.db2.gz IASUYXWSIFTDNQ-HZSPNIEDSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001548667430 923436154 /nfs/dbraw/zinc/43/61/54/923436154.db2.gz WBJLBEOHBVAIDB-DHMWGJHJSA-N 2 1 292.427 -0.026 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001548667430 923436159 /nfs/dbraw/zinc/43/61/59/923436159.db2.gz WBJLBEOHBVAIDB-DHMWGJHJSA-N 2 1 292.427 -0.026 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548667430 923436167 /nfs/dbraw/zinc/43/61/67/923436167.db2.gz WBJLBEOHBVAIDB-DHMWGJHJSA-N 2 1 292.427 -0.026 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CC[NH+](C)C1CC1 ZINC001548687840 923447815 /nfs/dbraw/zinc/44/78/15/923447815.db2.gz OWZFYXFDPQTMJS-GXTWGEPZSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)N(C)CC[N@H+](C)C1CC1 ZINC001548687840 923447826 /nfs/dbraw/zinc/44/78/26/923447826.db2.gz OWZFYXFDPQTMJS-GXTWGEPZSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC001548687840 923447835 /nfs/dbraw/zinc/44/78/35/923447835.db2.gz OWZFYXFDPQTMJS-GXTWGEPZSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC001548694726 923457411 /nfs/dbraw/zinc/45/74/11/923457411.db2.gz YZBZNQXJMHYGLS-STQMWFEESA-N 2 1 278.400 -0.461 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1(C[NH+](C)C)CCC1 ZINC001548700209 923457459 /nfs/dbraw/zinc/45/74/59/923457459.db2.gz STDOAMMVBPBSSB-QWHCGFSZSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC001548723060 923474458 /nfs/dbraw/zinc/47/44/58/923474458.db2.gz CJYQABMLLZXVLI-BYNSBNAKSA-N 2 1 292.427 -0.073 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC001548723060 923474469 /nfs/dbraw/zinc/47/44/69/923474469.db2.gz CJYQABMLLZXVLI-BYNSBNAKSA-N 2 1 292.427 -0.073 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC001548723063 923474578 /nfs/dbraw/zinc/47/45/78/923474578.db2.gz CJYQABMLLZXVLI-XQLPTFJDSA-N 2 1 292.427 -0.073 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC001548723063 923474584 /nfs/dbraw/zinc/47/45/84/923474584.db2.gz CJYQABMLLZXVLI-XQLPTFJDSA-N 2 1 292.427 -0.073 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC([NH+]2CCCC2)C1 ZINC001548726934 923478559 /nfs/dbraw/zinc/47/85/59/923478559.db2.gz AIKYZBNBARISAG-JSGCOSHPSA-N 2 1 278.400 -0.319 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC001549042984 923525796 /nfs/dbraw/zinc/52/57/96/923525796.db2.gz HWJBTISPLNSQPD-GRYCIOLGSA-N 2 1 294.330 -0.719 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 ZINC001549042986 923527246 /nfs/dbraw/zinc/52/72/46/923527246.db2.gz HWJBTISPLNSQPD-SRVKXCTJSA-N 2 1 294.330 -0.719 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1)N1CC[NH+](C)CC1 ZINC001549045135 923536758 /nfs/dbraw/zinc/53/67/58/923536758.db2.gz WJNROOQCNOUSHW-MGPQQGTHSA-N 2 1 296.415 -0.788 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC001549047053 923542593 /nfs/dbraw/zinc/54/25/93/923542593.db2.gz FAGGWTPJEBDMBV-MRVPVSSYSA-N 2 1 297.384 -0.249 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC001549051400 923551239 /nfs/dbraw/zinc/55/12/39/923551239.db2.gz VFXJGKHCYCTDCH-GVXVVHGQSA-N 2 1 253.346 -0.282 20 0 CBADMP Cn1nnnc1CC[N@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549776479 923642147 /nfs/dbraw/zinc/64/21/47/923642147.db2.gz SJBDCPWRAWZZFG-ZYHUDNBSSA-N 2 1 250.350 -0.187 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC[C@@H]21 ZINC001549883211 923644780 /nfs/dbraw/zinc/64/47/80/923644780.db2.gz JWZADYYIIRYYDU-CXTNEJHOSA-N 2 1 279.384 -0.225 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550006251 923660312 /nfs/dbraw/zinc/66/03/12/923660312.db2.gz ZOFAVLBYECJOQZ-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001550061133 923662752 /nfs/dbraw/zinc/66/27/52/923662752.db2.gz PLGLYERWMARBQN-VXGBXAGGSA-N 2 1 264.329 -0.219 20 0 CBADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550084839 923668590 /nfs/dbraw/zinc/66/85/90/923668590.db2.gz FKBBUHMYDAGJOI-SDDRHHMPSA-N 2 1 267.373 -0.131 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550084841 923669495 /nfs/dbraw/zinc/66/94/95/923669495.db2.gz FKBBUHMYDAGJOI-SRVKXCTJSA-N 2 1 267.373 -0.131 20 0 CBADMP CO[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC001550103708 923683694 /nfs/dbraw/zinc/68/36/94/923683694.db2.gz HAGXLVGWXYMOSL-ZDEQEGDKSA-N 2 1 267.373 -0.084 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3ncccn3)CC[C@@H]21 ZINC001550105153 923684411 /nfs/dbraw/zinc/68/44/11/923684411.db2.gz ZXYQLMOEYPNHKI-AGIUHOORSA-N 2 1 289.383 -0.101 20 0 CBADMP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1COCC[NH2+]1 ZINC001550107320 923687545 /nfs/dbraw/zinc/68/75/45/923687545.db2.gz HEABKOFKDYCHHX-YATPEIPISA-N 2 1 253.346 -0.378 20 0 CBADMP CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001550117189 923689768 /nfs/dbraw/zinc/68/97/68/923689768.db2.gz XAWNAZJBYNLHKN-KGLIPLIRSA-N 2 1 280.416 -0.166 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001550117192 923691225 /nfs/dbraw/zinc/69/12/25/923691225.db2.gz XAWNAZJBYNLHKN-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC[NH2+]C3)C2)CC1 ZINC001550117190 923691250 /nfs/dbraw/zinc/69/12/50/923691250.db2.gz XAWNAZJBYNLHKN-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP [NH3+]CC12CC(NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)(C1)C2 ZINC001550118201 923692076 /nfs/dbraw/zinc/69/20/76/923692076.db2.gz PXRSHIFWEVDWFD-IENTYSSBSA-N 2 1 265.357 -0.153 20 0 CBADMP N[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@@H]1[NH3+] ZINC001550268618 923712720 /nfs/dbraw/zinc/71/27/20/923712720.db2.gz YRNVWKBHVSJKPA-XQHKEYJVSA-N 2 1 281.404 -0.317 20 0 CBADMP N[C@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@H]1[NH3+] ZINC001550268618 923712733 /nfs/dbraw/zinc/71/27/33/923712733.db2.gz YRNVWKBHVSJKPA-XQHKEYJVSA-N 2 1 281.404 -0.317 20 0 CBADMP N[C@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@H]1[NH3+] ZINC001550268618 923712745 /nfs/dbraw/zinc/71/27/45/923712745.db2.gz YRNVWKBHVSJKPA-XQHKEYJVSA-N 2 1 281.404 -0.317 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001550268966 923713046 /nfs/dbraw/zinc/71/30/46/923713046.db2.gz DIVWJQLAOFEHCY-AVERBVTBSA-N 2 1 296.415 -0.117 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001550349449 923720464 /nfs/dbraw/zinc/72/04/64/923720464.db2.gz XBIFPSBQZVVXCH-ZIAGYGMSSA-N 2 1 296.415 -0.216 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@H]2C[NH2+]C[C@@H]2C)CC1 ZINC001550349380 923720630 /nfs/dbraw/zinc/72/06/30/923720630.db2.gz PQHPDIVOJMCASI-GXTWGEPZSA-N 2 1 296.415 -0.488 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@H+](C[C@H]2C[NH2+]C[C@@H]2C)CC1 ZINC001550349380 923720639 /nfs/dbraw/zinc/72/06/39/923720639.db2.gz PQHPDIVOJMCASI-GXTWGEPZSA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@]12C[NH2+]C[C@@H]1C[N@@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC001550437616 923730021 /nfs/dbraw/zinc/73/00/21/923730021.db2.gz VUMWRPGAQGJYQI-JHJVBQTASA-N 3 1 251.374 -0.094 20 0 CBADMP C[C@]12C[NH2+]C[C@@H]1CN(C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC001550437616 923730039 /nfs/dbraw/zinc/73/00/39/923730039.db2.gz VUMWRPGAQGJYQI-JHJVBQTASA-N 2 1 251.374 -0.094 20 0 CBADMP C[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)C3(O)CCCC3)C2)CC1 ZINC001550531043 923730505 /nfs/dbraw/zinc/73/05/05/923730505.db2.gz FCQLYZOXAHPYJD-GJZGRUSLSA-N 2 1 297.443 -0.026 20 0 CBADMP C[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)C3(O)CCCC3)C2)CC1 ZINC001550531043 923730516 /nfs/dbraw/zinc/73/05/16/923730516.db2.gz FCQLYZOXAHPYJD-GJZGRUSLSA-N 2 1 297.443 -0.026 20 0 CBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)[C@H]2C1 ZINC001550717950 923738486 /nfs/dbraw/zinc/73/84/86/923738486.db2.gz BVSNQOLFTKLQOR-PEDHHIEDSA-N 2 1 295.383 -0.563 20 0 CBADMP O=C1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)[C@H](C2CC[NH2+]CC2)N1 ZINC001550915082 923754212 /nfs/dbraw/zinc/75/42/12/923754212.db2.gz ZENUJLAHBXIMNE-YDHLFZDLSA-N 3 1 280.416 -0.025 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC001551086322 923762580 /nfs/dbraw/zinc/76/25/80/923762580.db2.gz ZQUCEGZKOGDFIS-GOEBONIOSA-N 2 1 294.443 -0.110 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC001551086322 923762590 /nfs/dbraw/zinc/76/25/90/923762590.db2.gz ZQUCEGZKOGDFIS-GOEBONIOSA-N 2 1 294.443 -0.110 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC001551086322 923762599 /nfs/dbraw/zinc/76/25/99/923762599.db2.gz ZQUCEGZKOGDFIS-GOEBONIOSA-N 2 1 294.443 -0.110 20 0 CBADMP C[C@@H]1C(=O)NCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001551397074 923772977 /nfs/dbraw/zinc/77/29/77/923772977.db2.gz ZOCVJIZIMQUCQV-GHMZBOCLSA-N 2 1 253.346 -0.425 20 0 CBADMP O=C(C[N@@H+]1CCO[C@@H](C2CC2)CC1)N1CC[NH2+]CC1 ZINC001551396753 923773411 /nfs/dbraw/zinc/77/34/11/923773411.db2.gz QZOFKEPCYZJZMS-CYBMUJFWSA-N 2 1 267.373 -0.081 20 0 CBADMP O=C(C[N@H+]1CCO[C@@H](C2CC2)CC1)N1CC[NH2+]CC1 ZINC001551396753 923773422 /nfs/dbraw/zinc/77/34/22/923773422.db2.gz QZOFKEPCYZJZMS-CYBMUJFWSA-N 2 1 267.373 -0.081 20 0 CBADMP CNC(=O)[C@]12C[N@@H+](CC3CC([NH3+])C3)C[C@H]1COCC2 ZINC001551412498 923781827 /nfs/dbraw/zinc/78/18/27/923781827.db2.gz VKXISGRNWQUHSL-BOLFBJMRSA-N 2 1 267.373 -0.192 20 0 CBADMP O=C([C@H]1[C@H]2OCC[NH2+][C@H]21)N1CC[NH2+]CCC12CCOCC2 ZINC001551462932 923795804 /nfs/dbraw/zinc/79/58/04/923795804.db2.gz FCFNCBMWSARTAA-FRRDWIJNSA-N 2 1 295.383 -0.656 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551586870 923803970 /nfs/dbraw/zinc/80/39/70/923803970.db2.gz ITIZFKMOIVAEII-WDBLDGLGSA-N 2 1 282.388 -0.114 20 0 CBADMP COCC[NH+]1CCN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)CC1 ZINC001551580012 923804704 /nfs/dbraw/zinc/80/47/04/923804704.db2.gz FGRMETVVVNFYCR-LXVYMNJGSA-N 2 1 282.388 -0.160 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551619256 923808368 /nfs/dbraw/zinc/80/83/68/923808368.db2.gz ZDCAKDMKCARSAT-KTEZZQQRSA-N 2 1 282.388 -0.426 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551619256 923808371 /nfs/dbraw/zinc/80/83/71/923808371.db2.gz ZDCAKDMKCARSAT-KTEZZQQRSA-N 2 1 282.388 -0.426 20 0 CBADMP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC001552177198 923845453 /nfs/dbraw/zinc/84/54/53/923845453.db2.gz CQBIQSWGRWSMLP-NWDGAFQWSA-N 2 1 290.371 -0.267 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552197479 923850580 /nfs/dbraw/zinc/85/05/80/923850580.db2.gz FIWYFGMRKAMZPL-DGCLKSJQSA-N 2 1 253.346 -0.614 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552200621 923855651 /nfs/dbraw/zinc/85/56/51/923855651.db2.gz SEEYNLASFBPZOA-DYEKYZERSA-N 2 1 267.373 -0.177 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552199745 923856013 /nfs/dbraw/zinc/85/60/13/923856013.db2.gz IFZQUBOIUHXKAZ-SLEUVZQESA-N 2 1 279.384 -0.177 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552200235 923856499 /nfs/dbraw/zinc/85/64/99/923856499.db2.gz NQSWFYUJVZRXGH-KYEXWDHISA-N 2 1 279.384 -0.035 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[C@@H]1C ZINC001552201835 923858705 /nfs/dbraw/zinc/85/87/05/923858705.db2.gz ZKBFRKRAJVULFR-XPCVCDNBSA-N 2 1 297.399 -0.864 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[C@@H]1C ZINC001552201835 923858713 /nfs/dbraw/zinc/85/87/13/923858713.db2.gz ZKBFRKRAJVULFR-XPCVCDNBSA-N 2 1 297.399 -0.864 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552203186 923865814 /nfs/dbraw/zinc/86/58/14/923865814.db2.gz DMWFHZIMPYELQQ-HIFRSBDPSA-N 2 1 297.399 -0.597 20 0 CBADMP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CC[N@@H+](C)C1 ZINC001552215366 923868349 /nfs/dbraw/zinc/86/83/49/923868349.db2.gz FZDJDOBDQHITEV-GVXVVHGQSA-N 2 1 253.346 -0.615 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552216274 923869512 /nfs/dbraw/zinc/86/95/12/923869512.db2.gz NGDDFSPOMQOYFV-YRGRVCCFSA-N 2 1 267.373 -0.177 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552218215 923870577 /nfs/dbraw/zinc/87/05/77/923870577.db2.gz MLJABGLQGOVIAW-MBNYWOFBSA-N 2 1 267.373 -0.177 20 0 CBADMP C[C@@H]1CN(C(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)CC[N@H+](C2CCC2)C1 ZINC001552293856 923884748 /nfs/dbraw/zinc/88/47/48/923884748.db2.gz WKEKQKQSYDNBNM-FPMFFAJLSA-N 2 1 295.431 -0.117 20 0 CBADMP C[C@@H]1CN(C(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)CC[N@@H+](C2CCC2)C1 ZINC001552293856 923884756 /nfs/dbraw/zinc/88/47/56/923884756.db2.gz WKEKQKQSYDNBNM-FPMFFAJLSA-N 2 1 295.431 -0.117 20 0 CBADMP C[C@@H]1CN(C(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)CC[N@H+](C2CCC2)C1 ZINC001552293856 923884772 /nfs/dbraw/zinc/88/47/72/923884772.db2.gz WKEKQKQSYDNBNM-FPMFFAJLSA-N 2 1 295.431 -0.117 20 0 CBADMP CN1CC[NH+]([C@H]2CCN(C(=O)NC[C@@H]([NH3+])C3CC3)C2)CC1 ZINC001552954562 923927910 /nfs/dbraw/zinc/92/79/10/923927910.db2.gz DQJBHMIATKCTQT-UONOGXRCSA-N 2 1 295.431 -0.245 20 0 CBADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC001552973600 923932211 /nfs/dbraw/zinc/93/22/11/923932211.db2.gz RDKPTSIENXTOQC-YUSLTOFOSA-N 3 1 278.400 -0.239 20 0 CBADMP C[C@H](C[NH+](C)C)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC001552978387 923932678 /nfs/dbraw/zinc/93/26/78/923932678.db2.gz FGBXEYJDHQLTIA-LLVKDONJSA-N 2 1 256.394 -0.454 20 0 CBADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)C1 ZINC001553343126 923949339 /nfs/dbraw/zinc/94/93/39/923949339.db2.gz HZERHIOAEOIXTF-DZKIICNBSA-N 3 1 294.443 -0.014 20 0 CBADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)C1 ZINC001553343126 923949353 /nfs/dbraw/zinc/94/93/53/923949353.db2.gz HZERHIOAEOIXTF-DZKIICNBSA-N 3 1 294.443 -0.014 20 0 CBADMP C[C@@H]([NH3+])CCNC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001553353169 923956827 /nfs/dbraw/zinc/95/68/27/923956827.db2.gz GOYNBZFGYRGRSK-BDAKNGLRSA-N 2 1 251.334 -0.158 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)C1 ZINC001553354399 923957273 /nfs/dbraw/zinc/95/72/73/923957273.db2.gz QVONYKFGETVGHS-GUTXKFCHSA-N 3 1 280.416 -0.404 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)C1 ZINC001553354399 923957282 /nfs/dbraw/zinc/95/72/82/923957282.db2.gz QVONYKFGETVGHS-GUTXKFCHSA-N 3 1 280.416 -0.404 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)C[C@H](C)[NH2+]1 ZINC001553358707 923959571 /nfs/dbraw/zinc/95/95/71/923959571.db2.gz PPVYSEVXDXVHBL-COMQUAJESA-N 3 1 280.416 -0.264 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)C[C@H](C)[NH2+]1 ZINC001553358707 923959579 /nfs/dbraw/zinc/95/95/79/923959579.db2.gz PPVYSEVXDXVHBL-COMQUAJESA-N 3 1 280.416 -0.264 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N3CCN(C)C[C@@H]3C[NH3+])cc2C[NH2+]1 ZINC001553357632 923960104 /nfs/dbraw/zinc/96/01/04/923960104.db2.gz FMVFBQIYAOCAJK-PWSUYJOCSA-N 2 1 292.387 -0.910 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])C[NH2+]C[C@H]2C1 ZINC001553357751 923960855 /nfs/dbraw/zinc/96/08/55/923960855.db2.gz MPENAWWBHHGSBC-COMQUAJESA-N 3 1 280.416 -0.229 20 0 CBADMP CN1CC[C@]2(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])C[NH2+]C[C@H]2C1 ZINC001553357751 923960868 /nfs/dbraw/zinc/96/08/68/923960868.db2.gz MPENAWWBHHGSBC-COMQUAJESA-N 2 1 280.416 -0.229 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N3CCN(C)C[C@H]3C[NH3+])cc2C[NH2+]1 ZINC001553357633 923961852 /nfs/dbraw/zinc/96/18/52/923961852.db2.gz FMVFBQIYAOCAJK-ZYHUDNBSSA-N 2 1 292.387 -0.910 20 0 CBADMP CN(C(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2)[C@@H]1CC[NH2+]C1 ZINC001553358082 923962061 /nfs/dbraw/zinc/96/20/61/923962061.db2.gz KKIUTFUDDATYKB-SCRDCRAPSA-N 3 1 266.389 -0.652 20 0 CBADMP CN(C(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2)[C@@H]1CC[NH2+]C1 ZINC001553358082 923962071 /nfs/dbraw/zinc/96/20/71/923962071.db2.gz KKIUTFUDDATYKB-SCRDCRAPSA-N 3 1 266.389 -0.652 20 0 CBADMP CN(C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2)[C@H]1CC[NH2+]C1 ZINC001553358074 923962249 /nfs/dbraw/zinc/96/22/49/923962249.db2.gz KKIUTFUDDATYKB-DYEKYZERSA-N 3 1 266.389 -0.652 20 0 CBADMP CN(C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2)[C@H]1CC[NH2+]C1 ZINC001553358074 923962261 /nfs/dbraw/zinc/96/22/61/923962261.db2.gz KKIUTFUDDATYKB-DYEKYZERSA-N 3 1 266.389 -0.652 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NCC(C)(C)[NH3+])C[NH2+]C[C@@H]2C1 ZINC001553358609 923962283 /nfs/dbraw/zinc/96/22/83/923962283.db2.gz QLFYFCLODPFHAN-MFKMUULPSA-N 3 1 254.378 -0.619 20 0 CBADMP CN1CC[C@]2(C(=O)NCC(C)(C)[NH3+])C[NH2+]C[C@@H]2C1 ZINC001553358609 923962295 /nfs/dbraw/zinc/96/22/95/923962295.db2.gz QLFYFCLODPFHAN-MFKMUULPSA-N 2 1 254.378 -0.619 20 0 CBADMP C[NH2+]C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)CC1 ZINC001553358703 923962682 /nfs/dbraw/zinc/96/26/82/923962682.db2.gz POTPFBIJPWZULH-IUODEOHRSA-N 3 1 280.416 -0.262 20 0 CBADMP C[NH2+]C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)CC1 ZINC001553358703 923962688 /nfs/dbraw/zinc/96/26/88/923962688.db2.gz POTPFBIJPWZULH-IUODEOHRSA-N 3 1 280.416 -0.262 20 0 CBADMP CCN(CC(=O)NC)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553393867 923969478 /nfs/dbraw/zinc/96/94/78/923969478.db2.gz CMNGTQQGMPHUSY-BXUZGUMPSA-N 2 1 282.388 -0.878 20 0 CBADMP CCN(CC(=O)NC)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553393867 923969498 /nfs/dbraw/zinc/96/94/98/923969498.db2.gz CMNGTQQGMPHUSY-BXUZGUMPSA-N 2 1 282.388 -0.878 20 0 CBADMP CCN(CC(=O)NC)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553394618 923969993 /nfs/dbraw/zinc/96/99/93/923969993.db2.gz CMNGTQQGMPHUSY-FZMZJTMJSA-N 2 1 282.388 -0.878 20 0 CBADMP CCN(CC(=O)NC)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553394618 923970000 /nfs/dbraw/zinc/97/00/00/923970000.db2.gz CMNGTQQGMPHUSY-FZMZJTMJSA-N 2 1 282.388 -0.878 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@@H]3CCC[C@@H](O)C3)C[NH2+]C[C@H]2C1 ZINC001553403059 923974812 /nfs/dbraw/zinc/97/48/12/923974812.db2.gz YOXZYMMDCOPWTD-JLNYLFASSA-N 2 1 281.400 -0.053 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553407833 923981919 /nfs/dbraw/zinc/98/19/19/923981919.db2.gz HYRBDSISYHVODS-FVCCEPFGSA-N 2 1 267.373 -0.036 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553410361 923983477 /nfs/dbraw/zinc/98/34/77/923983477.db2.gz KXRHPDIZAWCPCY-MQYQWHSLSA-N 2 1 297.399 -0.267 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553410364 923983511 /nfs/dbraw/zinc/98/35/11/923983511.db2.gz KXRHPDIZAWCPCY-YIYPIFLZSA-N 2 1 297.399 -0.267 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553412782 923988255 /nfs/dbraw/zinc/98/82/55/923988255.db2.gz OPHFLRHBZOOPJY-IXOXFDKPSA-N 2 1 265.357 -0.141 20 0 CBADMP C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)[C@H]1C[N@@H+](C)CCN1C ZINC001553430950 923998490 /nfs/dbraw/zinc/99/84/90/923998490.db2.gz WTKZTXZQTHYTIW-YHQUGGNUSA-N 2 1 296.415 -0.744 20 0 CBADMP [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 924001928 /nfs/dbraw/zinc/00/19/28/924001928.db2.gz IVWICQNTKPSRFI-ZUWCUPBKSA-N 2 1 294.399 -0.304 20 0 CBADMP [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@@H]1C[N@H+]3CCC[C@H]3CO1)C2 ZINC001553447667 924002028 /nfs/dbraw/zinc/00/20/28/924002028.db2.gz VRDQQFLBLQTPCH-COMQUAJESA-N 2 1 294.399 -0.018 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@]12CCC[C@H]1C[NH2+]C2 ZINC001553448807 924003244 /nfs/dbraw/zinc/00/32/44/924003244.db2.gz KUVOVNYRINKLSJ-GZBFAFLISA-N 2 1 295.431 -0.327 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1)[C@@H]1C[N@H+](C)CCO1 ZINC001553460772 924004752 /nfs/dbraw/zinc/00/47/52/924004752.db2.gz AYYGOOPUBNZKAR-NWBUJAPZSA-N 2 1 282.388 -0.448 20 0 CBADMP C[C@H](NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001553460772 924004765 /nfs/dbraw/zinc/00/47/65/924004765.db2.gz AYYGOOPUBNZKAR-NWBUJAPZSA-N 2 1 282.388 -0.448 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C1 ZINC001553457007 924005446 /nfs/dbraw/zinc/00/54/46/924005446.db2.gz PNEGKGABTZQWKJ-ZDEQEGDKSA-N 2 1 282.388 -0.447 20 0 CBADMP [NH3+]C[C@H](NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)C1CC1 ZINC001553494649 924009972 /nfs/dbraw/zinc/00/99/72/924009972.db2.gz CINZDDWPDGQSQR-MELADBBJSA-N 2 1 296.415 -0.036 20 0 CBADMP C[C@H](C[NH3+])NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553497932 924012629 /nfs/dbraw/zinc/01/26/29/924012629.db2.gz RAMUJKXGEDHQQN-WOPDTQHZSA-N 2 1 270.377 -0.426 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553506975 924016196 /nfs/dbraw/zinc/01/61/96/924016196.db2.gz OVUIJVLYETUSMF-FRRDWIJNSA-N 2 1 282.388 -0.411 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001553510561 924018767 /nfs/dbraw/zinc/01/87/67/924018767.db2.gz QNVRVKACHWPFPS-RWMBFGLXSA-N 2 1 284.404 -0.165 20 0 CBADMP [NH3+]CC1(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC001553534671 924026311 /nfs/dbraw/zinc/02/63/11/924026311.db2.gz YTXVUVIDTQJJJN-CHWSQXEVSA-N 2 1 296.415 -0.034 20 0 CBADMP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001553527101 924026630 /nfs/dbraw/zinc/02/66/30/924026630.db2.gz JJXZOFVSMIBBPY-ZOBORPQBSA-N 2 1 296.415 -0.165 20 0 CBADMP N[C@H]1CN(C(=O)N2C[C@@]34C[NH2+]C[C@]3(C2)CCCC4)C[C@H]1[NH3+] ZINC001553531906 924026748 /nfs/dbraw/zinc/02/67/48/924026748.db2.gz TZQYBDBGAURNIC-CUFDPUGPSA-N 2 1 293.415 -0.458 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3F)C2)CC1 ZINC001553543863 924027932 /nfs/dbraw/zinc/02/79/32/924027932.db2.gz OUHHFCHSVMBULD-JHJVBQTASA-N 2 1 299.394 -0.672 20 0 CBADMP [NH3+]C1CC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001553559079 924031139 /nfs/dbraw/zinc/03/11/39/924031139.db2.gz UZXUOKBMCMZDSG-IFWUJCSASA-N 2 1 282.388 -0.283 20 0 CBADMP C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)[C@@H](O)C1 ZINC001553647086 924032051 /nfs/dbraw/zinc/03/20/51/924032051.db2.gz GIVRUJYVKBMSNY-LPWJVIDDSA-N 2 1 267.373 -0.206 20 0 CBADMP C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)[C@@H](O)C1 ZINC001553647086 924032062 /nfs/dbraw/zinc/03/20/62/924032062.db2.gz GIVRUJYVKBMSNY-LPWJVIDDSA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)[C@@H](O)C1 ZINC001553647086 924032073 /nfs/dbraw/zinc/03/20/73/924032073.db2.gz GIVRUJYVKBMSNY-LPWJVIDDSA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)[C@@H](O)C1 ZINC001553647086 924032087 /nfs/dbraw/zinc/03/20/87/924032087.db2.gz GIVRUJYVKBMSNY-LPWJVIDDSA-N 2 1 267.373 -0.206 20 0 CBADMP CN1CC[NH+]([C@H]2CCN(C(=O)NC3CC([NH3+])C3)C2)CC1 ZINC001553556837 924032211 /nfs/dbraw/zinc/03/22/11/924032211.db2.gz OGJDJNUKCNWXSM-BPCQOVAHSA-N 2 1 281.404 -0.493 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001558158944 924152230 /nfs/dbraw/zinc/15/22/30/924152230.db2.gz LEELAIMCGOVOFE-FRRDWIJNSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)C1 ZINC001558158944 924152237 /nfs/dbraw/zinc/15/22/37/924152237.db2.gz LEELAIMCGOVOFE-FRRDWIJNSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)C1 ZINC001558158944 924152242 /nfs/dbraw/zinc/15/22/42/924152242.db2.gz LEELAIMCGOVOFE-FRRDWIJNSA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC([NH2+]C3COC3)C2)CC[N@@H+]1C ZINC001558611743 924187649 /nfs/dbraw/zinc/18/76/49/924187649.db2.gz NEFRZFZAXMEZSC-BXKDBHETSA-N 2 1 253.346 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC([NH2+]C3COC3)C2)CC[N@H+]1C ZINC001558611743 924187659 /nfs/dbraw/zinc/18/76/59/924187659.db2.gz NEFRZFZAXMEZSC-BXKDBHETSA-N 2 1 253.346 -0.474 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000124453550 187138331 /nfs/dbraw/zinc/13/83/31/187138331.db2.gz SYQZYHQIWPJMFY-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000344397708 282100836 /nfs/dbraw/zinc/10/08/36/282100836.db2.gz HPOFRVNKGJNPDE-CYBMUJFWSA-N 2 1 284.404 -0.977 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000344397708 282100837 /nfs/dbraw/zinc/10/08/37/282100837.db2.gz HPOFRVNKGJNPDE-CYBMUJFWSA-N 2 1 284.404 -0.977 20 0 CBADMP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000124999727 187164894 /nfs/dbraw/zinc/16/48/94/187164894.db2.gz LBJOWJYSDWLWJH-UONOGXRCSA-N 2 1 299.415 -0.474 20 0 CBADMP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000124999727 187164895 /nfs/dbraw/zinc/16/48/95/187164895.db2.gz LBJOWJYSDWLWJH-UONOGXRCSA-N 2 1 299.415 -0.474 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCC2)C1 ZINC000337661694 214202888 /nfs/dbraw/zinc/20/28/88/214202888.db2.gz QVEFGMHULKOUGE-LBPRGKRZSA-N 2 1 270.377 -0.288 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337760332 214249072 /nfs/dbraw/zinc/24/90/72/214249072.db2.gz OPFRCMXAABZEAL-LLVKDONJSA-N 2 1 263.407 -0.061 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000337724689 282142099 /nfs/dbraw/zinc/14/20/99/282142099.db2.gz LIVCPOWSGORUCJ-CYBMUJFWSA-N 2 1 272.393 -0.308 20 0 CBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000337826561 214275701 /nfs/dbraw/zinc/27/57/01/214275701.db2.gz QUBZSDVAPVQMRJ-JSGCOSHPSA-N 2 1 299.415 -0.033 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000377307344 230282824 /nfs/dbraw/zinc/28/28/24/230282824.db2.gz SRVPZLWWEVTWGY-YVECIDJPSA-N 2 1 285.388 -0.675 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000377305100 230283703 /nfs/dbraw/zinc/28/37/03/230283703.db2.gz CFTMTAYIBPDACR-SRVKXCTJSA-N 2 1 282.388 -0.608 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000337839892 214281499 /nfs/dbraw/zinc/28/14/99/214281499.db2.gz FPJYWWGGMQLOMN-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000338082807 214392253 /nfs/dbraw/zinc/39/22/53/214392253.db2.gz BPURIYHJLAOXHB-QWHCGFSZSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000338082807 214392255 /nfs/dbraw/zinc/39/22/55/214392255.db2.gz BPURIYHJLAOXHB-QWHCGFSZSA-N 2 1 280.416 -0.025 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C=C\C[NH+](C)C ZINC000491844735 230330962 /nfs/dbraw/zinc/33/09/62/230330962.db2.gz IWWMLLAFZIUOAH-FOQNGQEVSA-N 2 1 254.378 -0.534 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353186130 282193666 /nfs/dbraw/zinc/19/36/66/282193666.db2.gz QBNQXUVNQUOROP-IVZWLZJFSA-N 2 1 256.350 -0.822 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[N@@H+](C)CC1 ZINC000126086679 187216186 /nfs/dbraw/zinc/21/61/86/187216186.db2.gz LMNAEAMEBVZFDL-LBPRGKRZSA-N 2 1 270.377 -0.750 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000126162999 187221818 /nfs/dbraw/zinc/22/18/18/187221818.db2.gz YITYPYFFPPPUMQ-RISCZKNCSA-N 2 1 296.415 -0.314 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000126162343 187221882 /nfs/dbraw/zinc/22/18/82/187221882.db2.gz CLUWKYULPZLMJA-JQWIXIFHSA-N 2 1 270.377 -0.846 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000126202269 187224363 /nfs/dbraw/zinc/22/43/63/187224363.db2.gz RFRYRGYDCGSFQE-ZDUSSCGKSA-N 2 1 282.388 -0.608 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126466977 187242141 /nfs/dbraw/zinc/24/21/41/187242141.db2.gz LHHYPMLCHVAIAG-SCRDCRAPSA-N 2 1 296.415 -0.171 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000126467471 187242259 /nfs/dbraw/zinc/24/22/59/187242259.db2.gz YEUSJNZYOABPKX-LOWVWBTDSA-N 2 1 284.404 -0.315 20 0 CBADMP C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000351454258 219096363 /nfs/dbraw/zinc/09/63/63/219096363.db2.gz AULYWORQXHTAJJ-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000351454258 219096365 /nfs/dbraw/zinc/09/63/65/219096365.db2.gz AULYWORQXHTAJJ-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000351454258 219096366 /nfs/dbraw/zinc/09/63/66/219096366.db2.gz AULYWORQXHTAJJ-CYBMUJFWSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000351454259 219097603 /nfs/dbraw/zinc/09/76/03/219097603.db2.gz AULYWORQXHTAJJ-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000351454259 219097605 /nfs/dbraw/zinc/09/76/05/219097605.db2.gz AULYWORQXHTAJJ-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000351454259 219097607 /nfs/dbraw/zinc/09/76/07/219097607.db2.gz AULYWORQXHTAJJ-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC(=O)N3CCOCC3)C[C@H]12 ZINC000351488850 219104676 /nfs/dbraw/zinc/10/46/76/219104676.db2.gz GJYGDDVSUBDSJN-RWMBFGLXSA-N 2 1 267.373 -0.096 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351491308 219104708 /nfs/dbraw/zinc/10/47/08/219104708.db2.gz JLPCZEDXQUZECD-GARJFASQSA-N 2 1 261.391 -0.405 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351491308 219104710 /nfs/dbraw/zinc/10/47/10/219104710.db2.gz JLPCZEDXQUZECD-GARJFASQSA-N 2 1 261.391 -0.405 20 0 CBADMP CNC(=O)[C@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351520671 219114229 /nfs/dbraw/zinc/11/42/29/219114229.db2.gz RXFOHTGQSWQFQT-PWSUYJOCSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351520671 219114231 /nfs/dbraw/zinc/11/42/31/219114231.db2.gz RXFOHTGQSWQFQT-PWSUYJOCSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351520671 219114233 /nfs/dbraw/zinc/11/42/33/219114233.db2.gz RXFOHTGQSWQFQT-PWSUYJOCSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@H](C)C[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351520671 219114235 /nfs/dbraw/zinc/11/42/35/219114235.db2.gz RXFOHTGQSWQFQT-PWSUYJOCSA-N 2 1 257.378 -0.245 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000377199957 529948259 /nfs/dbraw/zinc/94/82/59/529948259.db2.gz ZFSUNTGFOHOBJT-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351558008 219125284 /nfs/dbraw/zinc/12/52/84/219125284.db2.gz RFLSHULCVOGXRE-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@@H+](CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C(C)C ZINC000351556927 219126019 /nfs/dbraw/zinc/12/60/19/219126019.db2.gz OWCWXYKRVOPBON-GFCCVEGCSA-N 2 1 284.404 -0.299 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351567717 219128473 /nfs/dbraw/zinc/12/84/73/219128473.db2.gz MKFJVZLTLHRFRX-MNOVXSKESA-N 2 1 268.361 -0.935 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351567718 219128686 /nfs/dbraw/zinc/12/86/86/219128686.db2.gz MKFJVZLTLHRFRX-QWRGUYRKSA-N 2 1 268.361 -0.935 20 0 CBADMP C[N@H+](CC(=O)N1CCOCC1)CC1CC[NH2+]CC1 ZINC000094024610 282347055 /nfs/dbraw/zinc/34/70/55/282347055.db2.gz PTMWPJYYTXDVAM-UHFFFAOYSA-N 2 1 255.362 -0.223 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 ZINC000338301267 530067478 /nfs/dbraw/zinc/06/74/78/530067478.db2.gz FXVZIWAITWGGAQ-MELADBBJSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 ZINC000338301267 530067479 /nfs/dbraw/zinc/06/74/79/530067479.db2.gz FXVZIWAITWGGAQ-MELADBBJSA-N 2 1 281.400 -0.147 20 0 CBADMP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1csc(CC[NH3+])n1 ZINC000090957078 180073766 /nfs/dbraw/zinc/07/37/66/180073766.db2.gz MYUGAWLVMXKEBM-SNVBAGLBSA-N 2 1 297.428 -0.380 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1csc(CC[NH3+])n1 ZINC000090957078 180073767 /nfs/dbraw/zinc/07/37/67/180073767.db2.gz MYUGAWLVMXKEBM-SNVBAGLBSA-N 2 1 297.428 -0.380 20 0 CBADMP O=C(C[C@@H]1CSCC[NH2+]1)NCCC[NH+]1CCOCC1 ZINC000091134322 180102652 /nfs/dbraw/zinc/10/26/52/180102652.db2.gz DKGIWXQLYQFXHL-GFCCVEGCSA-N 2 1 287.429 -0.080 20 0 CBADMP O=C(C[C@H]1CSCC[NH2+]1)NCCC[NH+]1CCOCC1 ZINC000091134321 180103074 /nfs/dbraw/zinc/10/30/74/180103074.db2.gz DKGIWXQLYQFXHL-LBPRGKRZSA-N 2 1 287.429 -0.080 20 0 CBADMP O=C(C[NH2+]CC1CC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668194 180224508 /nfs/dbraw/zinc/22/45/08/180224508.db2.gz MDRUUKSDCNKWIS-CHWSQXEVSA-N 2 1 267.373 -0.035 20 0 CBADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000352098533 219320649 /nfs/dbraw/zinc/32/06/49/219320649.db2.gz RPNQSGVCFDJNMM-DGCLKSJQSA-N 2 1 273.377 -0.864 20 0 CBADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000352098533 219320650 /nfs/dbraw/zinc/32/06/50/219320650.db2.gz RPNQSGVCFDJNMM-DGCLKSJQSA-N 2 1 273.377 -0.864 20 0 CBADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000352098532 219321289 /nfs/dbraw/zinc/32/12/89/219321289.db2.gz RPNQSGVCFDJNMM-AAEUAGOBSA-N 2 1 273.377 -0.864 20 0 CBADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000352098532 219321291 /nfs/dbraw/zinc/32/12/91/219321291.db2.gz RPNQSGVCFDJNMM-AAEUAGOBSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](C)O ZINC000352195767 219355069 /nfs/dbraw/zinc/35/50/69/219355069.db2.gz UDHYIEMMYPZPDJ-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](C)O ZINC000352195767 219355070 /nfs/dbraw/zinc/35/50/70/219355070.db2.gz UDHYIEMMYPZPDJ-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CC[NH+](CC)CCS(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000352192644 219352351 /nfs/dbraw/zinc/35/23/51/219352351.db2.gz WTQORGRZVXJESL-LBPRGKRZSA-N 2 1 293.433 -0.686 20 0 CBADMP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000106403123 186115068 /nfs/dbraw/zinc/11/50/68/186115068.db2.gz JDOHHJVCPZDJHU-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000106403123 186115069 /nfs/dbraw/zinc/11/50/69/186115069.db2.gz JDOHHJVCPZDJHU-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP COCC[NH2+]CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000092510743 180398320 /nfs/dbraw/zinc/39/83/20/180398320.db2.gz PVWUTDIOXWLWKL-NEPJUHHUSA-N 2 1 271.361 -0.798 20 0 CBADMP CC[NH+](CC(O)C[N@H+](CC)C[C@@H](C)O)C[C@@H](C)O ZINC000352222628 219370199 /nfs/dbraw/zinc/37/01/99/219370199.db2.gz RQYIHNBEICAKRD-VXGBXAGGSA-N 2 1 262.394 -0.247 20 0 CBADMP CC[NH+](CC(O)C[N@@H+](CC)C[C@@H](C)O)C[C@@H](C)O ZINC000352222628 219370201 /nfs/dbraw/zinc/37/02/01/219370201.db2.gz RQYIHNBEICAKRD-VXGBXAGGSA-N 2 1 262.394 -0.247 20 0 CBADMP O=C(CC[C@H]1CCC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000036231642 351388601 /nfs/dbraw/zinc/38/86/01/351388601.db2.gz CCBBRFJZXBCURF-CYBMUJFWSA-N 2 1 269.389 -0.097 20 0 CBADMP C[N@H+](CCCNC(=O)[C@H]([NH3+])CC(N)=O)Cc1ccccc1 ZINC000037622999 351399238 /nfs/dbraw/zinc/39/92/38/351399238.db2.gz SMJGUEXOBVJMGX-CYBMUJFWSA-N 2 1 292.383 -0.173 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]([NH3+])CC(N)=O)Cc1ccccc1 ZINC000037622999 351399243 /nfs/dbraw/zinc/39/92/43/351399243.db2.gz SMJGUEXOBVJMGX-CYBMUJFWSA-N 2 1 292.383 -0.173 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000037628829 351401219 /nfs/dbraw/zinc/40/12/19/351401219.db2.gz BARXXCGSVUAMBA-CYBMUJFWSA-N 2 1 290.367 -0.548 20 0 CBADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(=O)n(C)c1=O ZINC000044534185 351444431 /nfs/dbraw/zinc/44/44/31/351444431.db2.gz BZWOGDAZKCBWBW-NSHDSACASA-N 2 1 280.372 -0.485 20 0 CBADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000049553634 351494550 /nfs/dbraw/zinc/49/45/50/351494550.db2.gz AJNWTZUAICQHIB-SNVBAGLBSA-N 2 1 268.361 -0.486 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@H](C)C[NH3+])N1CC[NH+](C)CC1 ZINC000054343515 351535001 /nfs/dbraw/zinc/53/50/01/351535001.db2.gz BHKSPPHDOARNDU-CHWSQXEVSA-N 2 1 270.421 -0.031 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000061380432 351567252 /nfs/dbraw/zinc/56/72/52/351567252.db2.gz RUQDFCWIFZUXDX-WDEREUQCSA-N 2 1 259.350 -0.942 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C[NH+]1CCCC1 ZINC000062076438 351573532 /nfs/dbraw/zinc/57/35/32/351573532.db2.gz BHASCAGKKORPCG-UWVGGRQHSA-N 2 1 256.350 -0.963 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062899486 351577133 /nfs/dbraw/zinc/57/71/33/351577133.db2.gz CYGAJIBDEVAPKR-AWEZNQCLSA-N 2 1 268.405 -0.260 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180333 351580549 /nfs/dbraw/zinc/58/05/49/351580549.db2.gz FFUNUVBLCCJMAZ-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179988 351580590 /nfs/dbraw/zinc/58/05/90/351580590.db2.gz FVOVYBDRMWKUBT-MNOVXSKESA-N 2 1 271.361 -0.275 20 0 CBADMP CCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179988 351580592 /nfs/dbraw/zinc/58/05/92/351580592.db2.gz FVOVYBDRMWKUBT-MNOVXSKESA-N 2 1 271.361 -0.275 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000063179610 351580777 /nfs/dbraw/zinc/58/07/77/351580777.db2.gz KZXMBGSLJGWIAY-GFCCVEGCSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180394 351582037 /nfs/dbraw/zinc/58/20/37/351582037.db2.gz SRHYEMINTYZBQQ-MNOVXSKESA-N 2 1 282.388 -0.560 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170506 351635979 /nfs/dbraw/zinc/63/59/79/351635979.db2.gz LZCCTJRCQYGUMA-JTQLQIEISA-N 2 1 256.350 -0.107 20 0 CBADMP CN1CC[C@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000071184667 351643416 /nfs/dbraw/zinc/64/34/16/351643416.db2.gz GBKRXNILBLYZMU-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP CC(C)[NH2+]CCC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068807357 351622173 /nfs/dbraw/zinc/62/21/73/351622173.db2.gz UCLAXWHBWFZVHS-GFCCVEGCSA-N 2 1 256.394 -0.264 20 0 CBADMP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000077785795 351682427 /nfs/dbraw/zinc/68/24/27/351682427.db2.gz MQOCQMGHWKXMDZ-GFCCVEGCSA-N 2 1 284.404 -0.164 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](C(=O)NCCC[NH+]2CCOCC2)O1 ZINC000094565064 351764513 /nfs/dbraw/zinc/76/45/13/351764513.db2.gz JSCMZKIKTKYSBK-NEPJUHHUSA-N 2 1 271.361 -0.669 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)O1 ZINC000094573151 351764656 /nfs/dbraw/zinc/76/46/56/351764656.db2.gz XRTGPLKHNBNGAT-NDBYEHHHSA-N 2 1 283.372 -0.528 20 0 CBADMP CC(C)[N@H+](C)CCNC(=O)CN1CC[NH+](C)CC1 ZINC000111594478 351803626 /nfs/dbraw/zinc/80/36/26/351803626.db2.gz PBCQORHLSBOOIA-UHFFFAOYSA-N 2 1 256.394 -0.310 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)CN1CC[NH+](C)CC1 ZINC000111594478 351803630 /nfs/dbraw/zinc/80/36/30/351803630.db2.gz PBCQORHLSBOOIA-UHFFFAOYSA-N 2 1 256.394 -0.310 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000114384918 351817578 /nfs/dbraw/zinc/81/75/78/351817578.db2.gz JUGXWFRGKCMQFB-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000121201471 351846511 /nfs/dbraw/zinc/84/65/11/351846511.db2.gz OLTYLUYJBSTPBI-QWRGUYRKSA-N 2 1 263.407 -0.145 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000130516209 351880323 /nfs/dbraw/zinc/88/03/23/351880323.db2.gz HSFCPWGVYLBHAK-JHJVBQTASA-N 2 1 283.372 -0.656 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000131567842 351887113 /nfs/dbraw/zinc/88/71/13/351887113.db2.gz MSDUJEDEDUNYNA-IUCAKERBSA-N 2 1 254.334 -0.356 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000131567842 351887117 /nfs/dbraw/zinc/88/71/17/351887117.db2.gz MSDUJEDEDUNYNA-IUCAKERBSA-N 2 1 254.334 -0.356 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000133631479 351900822 /nfs/dbraw/zinc/90/08/22/351900822.db2.gz ZIOYTLQMVWUTDU-MXWKQRLJSA-N 2 1 268.361 -0.144 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(CC(=O)NC(N)=O)CC[C@@H]21 ZINC000158993387 351959953 /nfs/dbraw/zinc/95/99/53/351959953.db2.gz KLZPONCQOTXPHR-UWVGGRQHSA-N 2 1 254.334 -0.403 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000163222654 351980705 /nfs/dbraw/zinc/98/07/05/351980705.db2.gz SIQMEFKBZGEPHS-ZJUUUORDSA-N 2 1 268.361 -0.014 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000164474739 351984950 /nfs/dbraw/zinc/98/49/50/351984950.db2.gz JOTLTUADHKYWNU-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000166597340 351987677 /nfs/dbraw/zinc/98/76/77/351987677.db2.gz SBLUMHWRFCWLSO-RYUDHWBXSA-N 2 1 257.378 -0.074 20 0 CBADMP C[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000167212625 351988893 /nfs/dbraw/zinc/98/88/93/351988893.db2.gz YDUYJYODIFSLOO-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CC[NH2+]C1 ZINC000168942318 351996012 /nfs/dbraw/zinc/99/60/12/351996012.db2.gz QTNNCASXRBTBPJ-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186666082 352129916 /nfs/dbraw/zinc/12/99/16/352129916.db2.gz GBQPCOZYTJGAPU-SGMGOOAPSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000179856198 352093105 /nfs/dbraw/zinc/09/31/05/352093105.db2.gz NAYDRVBREFWGTH-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@]1(O)CC[N@@H+](CC2(C[NH+]3CC[C@](C)(O)C3)COC2)C1 ZINC000182214082 352103389 /nfs/dbraw/zinc/10/33/89/352103389.db2.gz RJIAMSJNFSXZBK-OKILXGFUSA-N 2 1 284.400 -0.084 20 0 CBADMP CC[N@@H+](C)CCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188744172 352158719 /nfs/dbraw/zinc/15/87/19/352158719.db2.gz WIKIVQGAFNCISY-UHFFFAOYSA-N 2 1 251.334 -0.263 20 0 CBADMP C[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000192095679 352195511 /nfs/dbraw/zinc/19/55/11/352195511.db2.gz XBWFLPRSSNFHNM-MNOVXSKESA-N 2 1 270.377 -0.750 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000187890311 352143159 /nfs/dbraw/zinc/14/31/59/352143159.db2.gz RHGCXOOOMOGITQ-MELADBBJSA-N 2 1 299.415 -0.164 20 0 CBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000188049710 352145813 /nfs/dbraw/zinc/14/58/13/352145813.db2.gz CBGTZIZJTKYZAC-JHJVBQTASA-N 2 1 299.415 -0.021 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188232353 352149701 /nfs/dbraw/zinc/14/97/01/352149701.db2.gz MAWCUCMIPJSVLB-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000219992741 352237888 /nfs/dbraw/zinc/23/78/88/352237888.db2.gz OMUNCHJUYCRJHR-QWRGUYRKSA-N 2 1 255.362 -0.036 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000221101563 352239980 /nfs/dbraw/zinc/23/99/80/352239980.db2.gz OKFRROWKIOTOHO-HBNTYKKESA-N 2 1 263.407 -0.146 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000221101563 352239985 /nfs/dbraw/zinc/23/99/85/352239985.db2.gz OKFRROWKIOTOHO-HBNTYKKESA-N 2 1 263.407 -0.146 20 0 CBADMP C[C@@H]([NH3+])CCC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000193298209 352204499 /nfs/dbraw/zinc/20/44/99/352204499.db2.gz YTFYRMUUOPIUEF-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000227578132 352258392 /nfs/dbraw/zinc/25/83/92/352258392.db2.gz BQVCSKYAONEGMD-PWSUYJOCSA-N 2 1 253.346 -0.282 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000225355289 352247249 /nfs/dbraw/zinc/24/72/49/352247249.db2.gz LWLLWZZWHIEUTI-LSDHHAIUSA-N 2 1 290.411 -0.082 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000226083918 352251618 /nfs/dbraw/zinc/25/16/18/352251618.db2.gz XSDVKNVISZTNOI-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000236752767 352293249 /nfs/dbraw/zinc/29/32/49/352293249.db2.gz WZKOTVQKYJKXDZ-OLZOCXBDSA-N 2 1 270.421 -0.031 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2C[NH2+]C2)CC1=O ZINC000236832572 352294722 /nfs/dbraw/zinc/29/47/22/352294722.db2.gz YATMAJNLNVLDPX-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000236888689 352296341 /nfs/dbraw/zinc/29/63/41/352296341.db2.gz BINAUOZRTUWZGK-NWDGAFQWSA-N 2 1 286.445 -0.209 20 0 CBADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1COCC[NH2+]1 ZINC000237045776 352298021 /nfs/dbraw/zinc/29/80/21/352298021.db2.gz QIQHHNBRDVROKS-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP COCC[NH+]1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000237112244 352299571 /nfs/dbraw/zinc/29/95/71/352299571.db2.gz VWWWYCQZFWDKCJ-UHFFFAOYSA-N 2 1 255.362 -0.223 20 0 CBADMP C[C@H](CNC(=O)C[NH2+]C1CC1)C[NH+]1CCOCC1 ZINC000237405376 352303760 /nfs/dbraw/zinc/30/37/60/352303760.db2.gz COTHRJIEYOYULV-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000237440179 352305088 /nfs/dbraw/zinc/30/50/88/352305088.db2.gz RGXCTQZRDKZUAZ-PWSUYJOCSA-N 2 1 266.345 -0.068 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000248561776 352353418 /nfs/dbraw/zinc/35/34/18/352353418.db2.gz AYMSSKSBWPQCMX-LOWDOPEQSA-N 2 1 267.373 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000248561776 352353423 /nfs/dbraw/zinc/35/34/23/352353423.db2.gz AYMSSKSBWPQCMX-LOWDOPEQSA-N 2 1 267.373 -0.097 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000248561777 352354016 /nfs/dbraw/zinc/35/40/16/352354016.db2.gz AYMSSKSBWPQCMX-RVMXOQNASA-N 2 1 267.373 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000248561777 352354019 /nfs/dbraw/zinc/35/40/19/352354019.db2.gz AYMSSKSBWPQCMX-RVMXOQNASA-N 2 1 267.373 -0.097 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC000245468238 352321370 /nfs/dbraw/zinc/32/13/70/352321370.db2.gz SUYGBJPDGAXQBI-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1CN(CC(=O)N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000245684936 352323528 /nfs/dbraw/zinc/32/35/28/352323528.db2.gz UXQPJTVKIMQAHB-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CN1CCN([C@H]2CCNC2=O)CC1 ZINC000245693284 352323832 /nfs/dbraw/zinc/32/38/32/352323832.db2.gz QLBSIMUOBZSIIG-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000249960380 352371337 /nfs/dbraw/zinc/37/13/37/352371337.db2.gz JNXYHLRRKWLJGX-UTUOFQBUSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000249960380 352371339 /nfs/dbraw/zinc/37/13/39/352371339.db2.gz JNXYHLRRKWLJGX-UTUOFQBUSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250394405 352372020 /nfs/dbraw/zinc/37/20/20/352372020.db2.gz YLGIWJNKFAVBKD-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CS(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250937220 352374493 /nfs/dbraw/zinc/37/44/93/352374493.db2.gz GZMNBZKZCKGHRC-QWRGUYRKSA-N 2 1 261.391 -0.248 20 0 CBADMP CS(=O)(=O)NCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250937220 352374495 /nfs/dbraw/zinc/37/44/95/352374495.db2.gz GZMNBZKZCKGHRC-QWRGUYRKSA-N 2 1 261.391 -0.248 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000251386436 352375469 /nfs/dbraw/zinc/37/54/69/352375469.db2.gz QPJRDUBVFDGROF-VXGBXAGGSA-N 2 1 255.362 -0.190 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000261889507 352400170 /nfs/dbraw/zinc/40/01/70/352400170.db2.gz SZCFQRKZRINUKW-IJLUTSLNSA-N 2 1 255.362 -0.097 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000252408125 352376257 /nfs/dbraw/zinc/37/62/57/352376257.db2.gz IKENJHYZPILXDX-WHOHXGKFSA-N 2 1 253.346 -0.548 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000252200863 352376683 /nfs/dbraw/zinc/37/66/83/352376683.db2.gz WGXFCODOPYFEJK-WOPDTQHZSA-N 2 1 255.362 -0.036 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH2+]C1 ZINC000252550969 352378471 /nfs/dbraw/zinc/37/84/71/352378471.db2.gz PGUDULZDOMHXST-QJPTWQEYSA-N 2 1 253.346 -0.425 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000252651562 352379756 /nfs/dbraw/zinc/37/97/56/352379756.db2.gz RIQXKSFLRDPSNG-RWMBFGLXSA-N 2 1 268.405 -0.264 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252752236 352379947 /nfs/dbraw/zinc/37/99/47/352379947.db2.gz BWIPHUWKKZNONQ-GUBZILKMSA-N 2 1 256.350 -0.110 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252752236 352379951 /nfs/dbraw/zinc/37/99/51/352379951.db2.gz BWIPHUWKKZNONQ-GUBZILKMSA-N 2 1 256.350 -0.110 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261920277 352400636 /nfs/dbraw/zinc/40/06/36/352400636.db2.gz YPEZCFAIORYEFU-ZYHUDNBSSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261920277 352400639 /nfs/dbraw/zinc/40/06/39/352400639.db2.gz YPEZCFAIORYEFU-ZYHUDNBSSA-N 2 1 255.362 -0.097 20 0 CBADMP O=C1CCC(=O)N1CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261561880 352388059 /nfs/dbraw/zinc/38/80/59/352388059.db2.gz GEBYUUNNZBZOSY-GHMZBOCLSA-N 2 1 251.330 -0.323 20 0 CBADMP O=C1CCC(=O)N1CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261561880 352388061 /nfs/dbraw/zinc/38/80/61/352388061.db2.gz GEBYUUNNZBZOSY-GHMZBOCLSA-N 2 1 251.330 -0.323 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)C1 ZINC000261684457 352392491 /nfs/dbraw/zinc/39/24/91/352392491.db2.gz IBBSPZCWTKDQOG-UTUOFQBUSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)C1 ZINC000261684457 352392498 /nfs/dbraw/zinc/39/24/98/352392498.db2.gz IBBSPZCWTKDQOG-UTUOFQBUSA-N 2 1 255.362 -0.097 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261668635 352392822 /nfs/dbraw/zinc/39/28/22/352392822.db2.gz ABXPLPQPVHTAHL-XQQFMLRXSA-N 2 1 285.388 -0.280 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261766183 352395540 /nfs/dbraw/zinc/39/55/40/352395540.db2.gz MCEYLUICFFCDHM-NEPJUHHUSA-N 2 1 273.377 -0.423 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261928311 352401057 /nfs/dbraw/zinc/40/10/57/352401057.db2.gz LEHIMKPTKIJTCN-NWDGAFQWSA-N 2 1 275.418 0.000 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261928311 352401061 /nfs/dbraw/zinc/40/10/61/352401061.db2.gz LEHIMKPTKIJTCN-NWDGAFQWSA-N 2 1 275.418 0.000 20 0 CBADMP CCNC(=O)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262288031 352414134 /nfs/dbraw/zinc/41/41/34/352414134.db2.gz ZWEHYKJCBXMGJM-UHFFFAOYSA-N 2 1 297.403 -0.845 20 0 CBADMP COC[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000262303569 352415705 /nfs/dbraw/zinc/41/57/05/352415705.db2.gz OCZKAERKAXXJBP-KBPBESRZSA-N 2 1 298.431 -0.411 20 0 CBADMP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1COCC[NH2+]1 ZINC000262409638 352420371 /nfs/dbraw/zinc/42/03/71/352420371.db2.gz QMKYZRSPJKCYCK-KBPBESRZSA-N 2 1 275.352 -0.022 20 0 CBADMP C[C@@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)C1C[NH2+]C1 ZINC000262446193 352421647 /nfs/dbraw/zinc/42/16/47/352421647.db2.gz VLBWPTBBURUMRS-SDDRHHMPSA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)C1C[NH2+]C1 ZINC000262446193 352421650 /nfs/dbraw/zinc/42/16/50/352421650.db2.gz VLBWPTBBURUMRS-SDDRHHMPSA-N 2 1 269.389 -0.245 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCC[NH3+])CC1=O ZINC000262486630 352423733 /nfs/dbraw/zinc/42/37/33/352423733.db2.gz ZXHMQOBIGCVZNP-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000262520609 352424288 /nfs/dbraw/zinc/42/42/88/352424288.db2.gz YXYSMVYBQHWQRU-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000262520609 352424289 /nfs/dbraw/zinc/42/42/89/352424289.db2.gz YXYSMVYBQHWQRU-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262545942 352425687 /nfs/dbraw/zinc/42/56/87/352425687.db2.gz SAOUNZIILVHDPW-XQQFMLRXSA-N 2 1 285.388 -0.818 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000262570412 352426254 /nfs/dbraw/zinc/42/62/54/352426254.db2.gz GWOQBZVMSKCMHG-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000262570412 352426258 /nfs/dbraw/zinc/42/62/58/352426258.db2.gz GWOQBZVMSKCMHG-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000262599282 352427351 /nfs/dbraw/zinc/42/73/51/352427351.db2.gz XMWBIKGCIDLRBI-UONOGXRCSA-N 2 1 299.415 -0.162 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C2([NH3+])CCCCC2)CC1 ZINC000262658095 352430604 /nfs/dbraw/zinc/43/06/04/352430604.db2.gz DHFLEWLRTSFDRM-UHFFFAOYSA-N 2 1 296.415 -0.072 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000262745198 352432495 /nfs/dbraw/zinc/43/24/95/352432495.db2.gz ABJQMJYNUHVRND-CYBMUJFWSA-N 2 1 287.404 -0.081 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000262766261 352433322 /nfs/dbraw/zinc/43/33/22/352433322.db2.gz ATYZMCBEXLZTHS-AVGNSLFASA-N 2 1 285.388 -0.471 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000262804122 352434810 /nfs/dbraw/zinc/43/48/10/352434810.db2.gz RPXDHICPYKGUCA-CHWSQXEVSA-N 2 1 287.404 -0.177 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000262821594 352434863 /nfs/dbraw/zinc/43/48/63/352434863.db2.gz XFIOBTPJLLULCE-NEPJUHHUSA-N 2 1 273.377 -0.565 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000262821598 352434886 /nfs/dbraw/zinc/43/48/86/352434886.db2.gz XFIOBTPJLLULCE-VXGBXAGGSA-N 2 1 273.377 -0.565 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000262804123 352434934 /nfs/dbraw/zinc/43/49/34/352434934.db2.gz RPXDHICPYKGUCA-OLZOCXBDSA-N 2 1 287.404 -0.177 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000262893900 352435587 /nfs/dbraw/zinc/43/55/87/352435587.db2.gz OVXPVWQAHQIBBX-CHWSQXEVSA-N 2 1 287.404 -0.177 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000263243398 352440379 /nfs/dbraw/zinc/44/03/79/352440379.db2.gz MAPQJQSOTCQVHF-WDMOLILDSA-N 2 1 296.415 -0.173 20 0 CBADMP C[N@@H+](CC[C@@H]1CCOC1)CC(=O)N1CC[NH2+]CC1 ZINC000262040397 352404538 /nfs/dbraw/zinc/40/45/38/352404538.db2.gz YFXJOCFGRQYLOR-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP C[N@H+](CCOCC(F)F)CC(=O)N1CC[NH2+]CC1 ZINC000262111886 352407424 /nfs/dbraw/zinc/40/74/24/352407424.db2.gz KOTYGAGDZPSYSL-UHFFFAOYSA-N 2 1 265.304 -0.368 20 0 CBADMP C[N@@H+](CCOCC(F)F)CC(=O)N1CC[NH2+]CC1 ZINC000262111886 352407426 /nfs/dbraw/zinc/40/74/26/352407426.db2.gz KOTYGAGDZPSYSL-UHFFFAOYSA-N 2 1 265.304 -0.368 20 0 CBADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)c1cccc(F)c1 ZINC000269727802 352480328 /nfs/dbraw/zinc/48/03/28/352480328.db2.gz RMJCOYXWAKHCOQ-RYUDHWBXSA-N 2 1 296.346 -0.253 20 0 CBADMP Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)[NH+](C)C)cc1 ZINC000269743504 352480586 /nfs/dbraw/zinc/48/05/86/352480586.db2.gz WRSIHOXIESINSP-OLZOCXBDSA-N 2 1 292.383 -0.083 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)NCC[NH+](C)C)n1C ZINC000270619409 352497109 /nfs/dbraw/zinc/49/71/09/352497109.db2.gz CYXYHOMLVJQTHB-UHFFFAOYSA-N 2 1 268.365 -0.153 20 0 CBADMP C[NH2+]CCC[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000302249566 352739915 /nfs/dbraw/zinc/73/99/15/352739915.db2.gz KDSPYUZPHYLBFP-UHFFFAOYSA-N 2 1 263.407 -0.048 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000303994162 352745611 /nfs/dbraw/zinc/74/56/11/352745611.db2.gz OJRDEISHEQADGA-LBPRGKRZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000303994162 352745612 /nfs/dbraw/zinc/74/56/12/352745612.db2.gz OJRDEISHEQADGA-LBPRGKRZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000310135259 352757984 /nfs/dbraw/zinc/75/79/84/352757984.db2.gz ITVCODWUYPNHHW-WDEREUQCSA-N 2 1 263.407 -0.063 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000310135259 352757986 /nfs/dbraw/zinc/75/79/86/352757986.db2.gz ITVCODWUYPNHHW-WDEREUQCSA-N 2 1 263.407 -0.063 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000310875490 352762626 /nfs/dbraw/zinc/76/26/26/352762626.db2.gz MRQJOSVDOBMDFE-QWHCGFSZSA-N 2 1 260.378 -0.228 20 0 CBADMP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@](C)(O)C1 ZINC000310875490 352762630 /nfs/dbraw/zinc/76/26/30/352762630.db2.gz MRQJOSVDOBMDFE-QWHCGFSZSA-N 2 1 260.378 -0.228 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@](C)(O)C1 ZINC000310875490 352762632 /nfs/dbraw/zinc/76/26/32/352762632.db2.gz MRQJOSVDOBMDFE-QWHCGFSZSA-N 2 1 260.378 -0.228 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@](C)(O)C1 ZINC000310875492 352762752 /nfs/dbraw/zinc/76/27/52/352762752.db2.gz MRQJOSVDOBMDFE-STQMWFEESA-N 2 1 260.378 -0.228 20 0 CBADMP COCC[N@H+](C)C[C@H](O)CN1CCC[C@](C)(O)C1 ZINC000310875492 352762754 /nfs/dbraw/zinc/76/27/54/352762754.db2.gz MRQJOSVDOBMDFE-STQMWFEESA-N 2 1 260.378 -0.228 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@](C)(O)C1 ZINC000310875492 352762758 /nfs/dbraw/zinc/76/27/58/352762758.db2.gz MRQJOSVDOBMDFE-STQMWFEESA-N 2 1 260.378 -0.228 20 0 CBADMP CN(C)S(=O)(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000310909919 352763140 /nfs/dbraw/zinc/76/31/40/352763140.db2.gz GXGPQUVOFGPSBD-SDDRHHMPSA-N 2 1 275.418 -0.063 20 0 CBADMP CO[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1OC ZINC000311052828 352764911 /nfs/dbraw/zinc/76/49/11/352764911.db2.gz ILYRPERWAZCTIH-YNEHKIRRSA-N 2 1 258.362 -0.213 20 0 CBADMP CO[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]1OC ZINC000311052811 352765200 /nfs/dbraw/zinc/76/52/00/352765200.db2.gz ILYRPERWAZCTIH-JHJVBQTASA-N 2 1 258.362 -0.213 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000311092253 352765986 /nfs/dbraw/zinc/76/59/86/352765986.db2.gz ZBMYWWOQDARPIF-UTUOFQBUSA-N 2 1 257.378 -0.115 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000311092253 352765989 /nfs/dbraw/zinc/76/59/89/352765989.db2.gz ZBMYWWOQDARPIF-UTUOFQBUSA-N 2 1 257.378 -0.115 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000311092253 352765994 /nfs/dbraw/zinc/76/59/94/352765994.db2.gz ZBMYWWOQDARPIF-UTUOFQBUSA-N 2 1 257.378 -0.115 20 0 CBADMP COC[C@@]1(C(=O)NCCn2cc[nH+]c2C)CC[NH2+]C1 ZINC000311419061 352768403 /nfs/dbraw/zinc/76/84/03/352768403.db2.gz KGWBIGQBSMRHAO-CYBMUJFWSA-N 2 1 266.345 -0.066 20 0 CBADMP C[N@H+]1CCC[C@@H](CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000311996373 352773107 /nfs/dbraw/zinc/77/31/07/352773107.db2.gz PHKHJUGJLPJZMO-NWDGAFQWSA-N 2 1 291.417 -0.764 20 0 CBADMP C[N@H+]1CCC[C@H](CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000311996375 352773424 /nfs/dbraw/zinc/77/34/24/352773424.db2.gz PHKHJUGJLPJZMO-VXGBXAGGSA-N 2 1 291.417 -0.764 20 0 CBADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330366919 352815217 /nfs/dbraw/zinc/81/52/17/352815217.db2.gz GQYKSUUNSPFWTP-LLVKDONJSA-N 2 1 272.374 -0.056 20 0 CBADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330366919 352815220 /nfs/dbraw/zinc/81/52/20/352815220.db2.gz GQYKSUUNSPFWTP-LLVKDONJSA-N 2 1 272.374 -0.056 20 0 CBADMP COC[C@]1(C(=O)NCCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000313608641 352777966 /nfs/dbraw/zinc/77/79/66/352777966.db2.gz CLDCLCIAWDRJEG-AWEZNQCLSA-N 2 1 285.388 -0.549 20 0 CBADMP C[C@H](NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)C(=O)N(C)C ZINC000330501964 352835485 /nfs/dbraw/zinc/83/54/85/352835485.db2.gz AYPTXJLUJCXBEM-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP CO[C@H]1C[C@@H](CO)[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000330544396 352844165 /nfs/dbraw/zinc/84/41/65/352844165.db2.gz OGTBQFWCAOVDNP-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP CO[C@H]1C[C@@H](CO)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000330544396 352844169 /nfs/dbraw/zinc/84/41/69/352844169.db2.gz OGTBQFWCAOVDNP-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000332101173 352934947 /nfs/dbraw/zinc/93/49/47/352934947.db2.gz QCNSNSGWUCJSRT-CHWSQXEVSA-N 2 1 294.399 -0.497 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000332101173 352934949 /nfs/dbraw/zinc/93/49/49/352934949.db2.gz QCNSNSGWUCJSRT-CHWSQXEVSA-N 2 1 294.399 -0.497 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000332101173 352934950 /nfs/dbraw/zinc/93/49/50/352934950.db2.gz QCNSNSGWUCJSRT-CHWSQXEVSA-N 2 1 294.399 -0.497 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000331428408 352914609 /nfs/dbraw/zinc/91/46/09/352914609.db2.gz VNKLEOXSVJOLCF-IJLUTSLNSA-N 2 1 294.399 -0.323 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000331467381 352916954 /nfs/dbraw/zinc/91/69/54/352916954.db2.gz NREWFTOMAVMCEH-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC[NH2+]1 ZINC000332072917 352934022 /nfs/dbraw/zinc/93/40/22/352934022.db2.gz VMSPQGRKRBVGKP-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH2+][C@@H](C)CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332701601 352978100 /nfs/dbraw/zinc/97/81/00/352978100.db2.gz VSFNAQCJECGPOX-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH2+][C@@H](C)CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332701601 352978103 /nfs/dbraw/zinc/97/81/03/352978103.db2.gz VSFNAQCJECGPOX-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332725398 352979610 /nfs/dbraw/zinc/97/96/10/352979610.db2.gz PONYXRADAGCHKY-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332725398 352979613 /nfs/dbraw/zinc/97/96/13/352979613.db2.gz PONYXRADAGCHKY-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332725401 352979662 /nfs/dbraw/zinc/97/96/62/352979662.db2.gz PONYXRADAGCHKY-STQMWFEESA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332725401 352979665 /nfs/dbraw/zinc/97/96/65/352979665.db2.gz PONYXRADAGCHKY-STQMWFEESA-N 2 1 296.415 -0.217 20 0 CBADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000332189979 352939247 /nfs/dbraw/zinc/93/92/47/352939247.db2.gz UWSOUSQGKQNCJT-NWDGAFQWSA-N 2 1 280.372 -0.757 20 0 CBADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000332189979 352939251 /nfs/dbraw/zinc/93/92/51/352939251.db2.gz UWSOUSQGKQNCJT-NWDGAFQWSA-N 2 1 280.372 -0.757 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000332192147 352939278 /nfs/dbraw/zinc/93/92/78/352939278.db2.gz BAZGVWYZZPZZPD-RYUDHWBXSA-N 2 1 280.372 -0.887 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000332326106 352944708 /nfs/dbraw/zinc/94/47/08/352944708.db2.gz LICNJGASIZREKO-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000332390281 352947821 /nfs/dbraw/zinc/94/78/21/352947821.db2.gz WTDCOCVIENEIOH-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332495955 352959919 /nfs/dbraw/zinc/95/99/19/352959919.db2.gz PWXZICJXFULJQC-STQMWFEESA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332495955 352959921 /nfs/dbraw/zinc/95/99/21/352959921.db2.gz PWXZICJXFULJQC-STQMWFEESA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@H]1CN(C(=O)NCC(F)(F)C[NH3+])[C@@H](C)C[NH2+]1 ZINC000335424361 353032749 /nfs/dbraw/zinc/03/27/49/353032749.db2.gz XVPXKECUJOFXAI-YUMQZZPRSA-N 2 1 250.293 -0.028 20 0 CBADMP 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 353000940 /nfs/dbraw/zinc/00/09/40/353000940.db2.gz MJWWUERTUUNDJR-AHRFKUBPSA-N 2 1 264.373 -0.014 20 0 CBADMP C[N@H+]1CCCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000333623447 353006180 /nfs/dbraw/zinc/00/61/80/353006180.db2.gz USMTVFYYETTZAS-GFCCVEGCSA-N 2 1 292.387 -0.020 20 0 CBADMP C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@H+]1CC(C)(C)O ZINC000333769319 353009733 /nfs/dbraw/zinc/00/97/33/353009733.db2.gz BUIHWOZYCVOYOM-NDBYEHHHSA-N 2 1 296.415 -0.309 20 0 CBADMP 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 353009880 /nfs/dbraw/zinc/00/98/80/353009880.db2.gz CHVWFSLTNHPFDM-CXYFJQCHSA-N 2 1 282.388 -0.699 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000333777218 353009954 /nfs/dbraw/zinc/00/99/54/353009954.db2.gz DCGPISAXVUDIAN-JHJVBQTASA-N 2 1 284.404 -0.165 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000333872805 353012670 /nfs/dbraw/zinc/01/26/70/353012670.db2.gz UVXFMOCYLFCMJK-STQMWFEESA-N 2 1 284.404 -0.042 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000333876564 353013009 /nfs/dbraw/zinc/01/30/09/353013009.db2.gz VKHNMHQVDVULRK-GDNZZTSVSA-N 2 1 268.361 -0.822 20 0 CBADMP 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 353013511 /nfs/dbraw/zinc/01/35/11/353013511.db2.gz YQYNOBYXYCNEKU-FHUSYTEZSA-N 2 1 282.388 -0.699 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000333913156 353013699 /nfs/dbraw/zinc/01/36/99/353013699.db2.gz FQPITZGTXBPKOS-XQQFMLRXSA-N 2 1 282.388 -0.099 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333891542 353013710 /nfs/dbraw/zinc/01/37/10/353013710.db2.gz YGMYIBXDODTUBO-FRRDWIJNSA-N 2 1 284.404 -0.308 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000333946448 353014310 /nfs/dbraw/zinc/01/43/10/353014310.db2.gz UQSNWYGBLUXSFR-GFCCVEGCSA-N 2 1 297.403 -0.846 20 0 CBADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336810748 353057904 /nfs/dbraw/zinc/05/79/04/353057904.db2.gz JDMAGVZCUSNGCS-CYBMUJFWSA-N 2 1 266.345 -0.106 20 0 CBADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336810748 353057905 /nfs/dbraw/zinc/05/79/05/353057905.db2.gz JDMAGVZCUSNGCS-CYBMUJFWSA-N 2 1 266.345 -0.106 20 0 CBADMP C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@H](O)C[NH3+] ZINC000336848848 353063962 /nfs/dbraw/zinc/06/39/62/353063962.db2.gz NLZSUUPIWZYIOJ-LLVKDONJSA-N 2 1 291.351 -0.076 20 0 CBADMP COC[C@H](O)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000338477587 353105393 /nfs/dbraw/zinc/10/53/93/353105393.db2.gz MUOWUWBZFGVBOI-CYBMUJFWSA-N 2 1 295.387 -0.675 20 0 CBADMP C[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)N1CC[NH+](C)CC1 ZINC000337428113 353082360 /nfs/dbraw/zinc/08/23/60/353082360.db2.gz XTUWGDRUZZWZMI-TZMCWYRMSA-N 2 1 286.420 -0.949 20 0 CBADMP CCNC(=O)C[N@H+](CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000338250765 353091814 /nfs/dbraw/zinc/09/18/14/353091814.db2.gz KTCWYYWPSSUYPP-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CCNC(=O)C[N@@H+](CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000338250765 353091815 /nfs/dbraw/zinc/09/18/15/353091815.db2.gz KTCWYYWPSSUYPP-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CCO[C@H]1COCC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338293045 353093279 /nfs/dbraw/zinc/09/32/79/353093279.db2.gz DSSUEVBRVPZJOU-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](C(N)=O)C(C)(C)C)CC1 ZINC000338283174 353093810 /nfs/dbraw/zinc/09/38/10/353093810.db2.gz HGLLZMZVRHBBRQ-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000338306870 353094476 /nfs/dbraw/zinc/09/44/76/353094476.db2.gz OIUUSBLQWWFEFU-LBPRGKRZSA-N 2 1 255.362 -0.129 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000338306870 353094478 /nfs/dbraw/zinc/09/44/78/353094478.db2.gz OIUUSBLQWWFEFU-LBPRGKRZSA-N 2 1 255.362 -0.129 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCC[C@@H]2C(N)=O)CC1 ZINC000338303827 353094681 /nfs/dbraw/zinc/09/46/81/353094681.db2.gz OBGKUHHFZZMJLL-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CN1CC[C@@H]([N@H+](C)CCC(=O)N2CC[NH+](C)CC2)C1=O ZINC000338313945 353095164 /nfs/dbraw/zinc/09/51/64/353095164.db2.gz HVSLMAQFTOJDKG-GFCCVEGCSA-N 2 1 282.388 -0.687 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)C1=O ZINC000338313945 353095169 /nfs/dbraw/zinc/09/51/69/353095169.db2.gz HVSLMAQFTOJDKG-GFCCVEGCSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1CO ZINC000338362560 353098521 /nfs/dbraw/zinc/09/85/21/353098521.db2.gz PZLXTDAVHKFHEY-CHWSQXEVSA-N 2 1 269.389 -0.289 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1CO ZINC000338362560 353098522 /nfs/dbraw/zinc/09/85/22/353098522.db2.gz PZLXTDAVHKFHEY-CHWSQXEVSA-N 2 1 269.389 -0.289 20 0 CBADMP COC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000338381427 353099681 /nfs/dbraw/zinc/09/96/81/353099681.db2.gz ZCQQTJACNKMBBU-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCCCC[N@H+](C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000340222653 353158158 /nfs/dbraw/zinc/15/81/58/353158158.db2.gz QDCSEMNACOENFO-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCCCC[N@H+](C)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000340222651 353158472 /nfs/dbraw/zinc/15/84/72/353158472.db2.gz QDCSEMNACOENFO-BETUJISGSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCCCC[N@H+](C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000340222651 353158473 /nfs/dbraw/zinc/15/84/73/353158473.db2.gz QDCSEMNACOENFO-BETUJISGSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](CCCCC[N@@H+](C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000340222651 353158475 /nfs/dbraw/zinc/15/84/75/353158475.db2.gz QDCSEMNACOENFO-BETUJISGSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]([NH3+])CC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000340184499 353154923 /nfs/dbraw/zinc/15/49/23/353154923.db2.gz MIECAGGNDWXRKE-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000340207500 353156805 /nfs/dbraw/zinc/15/68/05/353156805.db2.gz WLWPRTYHKNAKKV-CHWSQXEVSA-N 2 1 296.415 -0.168 20 0 CBADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000340271029 353161197 /nfs/dbraw/zinc/16/11/97/353161197.db2.gz JFXDMRQDAJZZHC-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000340271029 353161198 /nfs/dbraw/zinc/16/11/98/353161198.db2.gz JFXDMRQDAJZZHC-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[NH+](CC)CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000340965077 353195404 /nfs/dbraw/zinc/19/54/04/353195404.db2.gz WKJQGAXCUFHKQP-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NCC[NH+](C)C)C1 ZINC000342661371 353225852 /nfs/dbraw/zinc/22/58/52/353225852.db2.gz IWFMTFVREFQUJZ-NSHDSACASA-N 2 1 258.366 -0.432 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000342693984 353228371 /nfs/dbraw/zinc/22/83/71/353228371.db2.gz FSBZPOVVGUZNMC-VXGBXAGGSA-N 2 1 282.388 -0.558 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000342704040 353228877 /nfs/dbraw/zinc/22/88/77/353228877.db2.gz KYVHMKCTRTXKOM-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000342723818 353229549 /nfs/dbraw/zinc/22/95/49/353229549.db2.gz BESOHCPVSGJVEY-OLZOCXBDSA-N 2 1 296.415 -0.310 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000342737518 353230590 /nfs/dbraw/zinc/23/05/90/353230590.db2.gz NBELAMNFBYISQP-NEPJUHHUSA-N 2 1 283.372 -0.038 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)[NH+](C)C ZINC000343177112 353257777 /nfs/dbraw/zinc/25/77/77/353257777.db2.gz HOLQIIYYSJQKAA-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)[NH+](C)C ZINC000343177114 353257784 /nfs/dbraw/zinc/25/77/84/353257784.db2.gz HOLQIIYYSJQKAA-VXGBXAGGSA-N 2 1 254.378 -0.557 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000342948023 353242209 /nfs/dbraw/zinc/24/22/09/353242209.db2.gz UVFFNQYKHCLLQE-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCC2=CC[N@H+](C)CC2)C1 ZINC000343246340 353261837 /nfs/dbraw/zinc/26/18/37/353261837.db2.gz DZXVMMMKIRYRQH-GFCCVEGCSA-N 2 1 253.346 -0.305 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NCC2=CC[N@@H+](C)CC2)C1 ZINC000343246340 353261841 /nfs/dbraw/zinc/26/18/41/353261841.db2.gz DZXVMMMKIRYRQH-GFCCVEGCSA-N 2 1 253.346 -0.305 20 0 CBADMP C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000343246340 353261844 /nfs/dbraw/zinc/26/18/44/353261844.db2.gz DZXVMMMKIRYRQH-GFCCVEGCSA-N 2 1 253.346 -0.305 20 0 CBADMP C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000343246340 353261846 /nfs/dbraw/zinc/26/18/46/353261846.db2.gz DZXVMMMKIRYRQH-GFCCVEGCSA-N 2 1 253.346 -0.305 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)[NH+](C)C1CC1 ZINC000343287207 353263948 /nfs/dbraw/zinc/26/39/48/353263948.db2.gz NNGXLDLTRLHQPM-NSHDSACASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCC[NH+](C)C1CC1)[N@H+](C)C1CC1 ZINC000343287207 353263949 /nfs/dbraw/zinc/26/39/49/353263949.db2.gz NNGXLDLTRLHQPM-NSHDSACASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCC[NH+](C)C1CC1)[N@@H+](C)C1CC1 ZINC000343287207 353263952 /nfs/dbraw/zinc/26/39/52/353263952.db2.gz NNGXLDLTRLHQPM-NSHDSACASA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000343294882 353264852 /nfs/dbraw/zinc/26/48/52/353264852.db2.gz KBDWCILOUBVSBE-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1)C1CC1 ZINC000343315735 353267150 /nfs/dbraw/zinc/26/71/50/353267150.db2.gz YUXRLDYXIDXJGD-LLVKDONJSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000343315735 353267154 /nfs/dbraw/zinc/26/71/54/353267154.db2.gz YUXRLDYXIDXJGD-LLVKDONJSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000343315735 353267157 /nfs/dbraw/zinc/26/71/57/353267157.db2.gz YUXRLDYXIDXJGD-LLVKDONJSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343309110 353267237 /nfs/dbraw/zinc/26/72/37/353267237.db2.gz VYXUCHPKDSZRLK-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000156752130 188279756 /nfs/dbraw/zinc/27/97/56/188279756.db2.gz NOZYZSMMIIIDEG-NWDGAFQWSA-N 2 1 256.394 -0.277 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343898872 353297389 /nfs/dbraw/zinc/29/73/89/353297389.db2.gz PNKSPPVNEXCVNI-YUELXQCFSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343898872 353297390 /nfs/dbraw/zinc/29/73/90/353297390.db2.gz PNKSPPVNEXCVNI-YUELXQCFSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343898872 353297392 /nfs/dbraw/zinc/29/73/92/353297392.db2.gz PNKSPPVNEXCVNI-YUELXQCFSA-N 2 1 292.427 -0.025 20 0 CBADMP C[NH+]1CCC(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000345529767 353335070 /nfs/dbraw/zinc/33/50/70/353335070.db2.gz WAAFKCQIWVCKHN-CYBMUJFWSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](C)CCOCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000346018697 353358626 /nfs/dbraw/zinc/35/86/26/353358626.db2.gz VGZRRERFKJGOOY-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP C[C@@H](CC(N)=O)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000346061043 353360066 /nfs/dbraw/zinc/36/00/66/353360066.db2.gz FHVFQVZAONJTNA-QWRGUYRKSA-N 2 1 270.377 -0.573 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC[C@H]([NH3+])C2)CC1 ZINC000346109950 353361924 /nfs/dbraw/zinc/36/19/24/353361924.db2.gz VCUIZARSEMGWJT-STQMWFEESA-N 2 1 268.405 -0.038 20 0 CBADMP C[C@H](C(=O)N[C@@H](C)C[NH+](C)C)N1CC[NH+](C)CC1 ZINC000346127243 353362943 /nfs/dbraw/zinc/36/29/43/353362943.db2.gz CGMOSYBVPSNCDG-NWDGAFQWSA-N 2 1 256.394 -0.311 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000346175347 353364305 /nfs/dbraw/zinc/36/43/05/353364305.db2.gz HKKQJEJGERRNHD-ZDUSSCGKSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000346175347 353364308 /nfs/dbraw/zinc/36/43/08/353364308.db2.gz HKKQJEJGERRNHD-ZDUSSCGKSA-N 2 1 285.388 -0.720 20 0 CBADMP Cn1cc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nn1 ZINC000347033878 353395249 /nfs/dbraw/zinc/39/52/49/353395249.db2.gz BGHDMDZVXBIADY-LBPRGKRZSA-N 2 1 292.387 -0.541 20 0 CBADMP Cn1cc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nn1 ZINC000347033878 353395251 /nfs/dbraw/zinc/39/52/51/353395251.db2.gz BGHDMDZVXBIADY-LBPRGKRZSA-N 2 1 292.387 -0.541 20 0 CBADMP CC[NH+](CC)CCOCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000348154378 353412542 /nfs/dbraw/zinc/41/25/42/353412542.db2.gz CQQIUEXTIGOSBD-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+](CC)CCOCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000348154378 353412544 /nfs/dbraw/zinc/41/25/44/353412544.db2.gz CQQIUEXTIGOSBD-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000348918110 353440484 /nfs/dbraw/zinc/44/04/84/353440484.db2.gz KGVMNWKBXSWBQY-VXGBXAGGSA-N 2 1 254.378 -0.557 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000348918110 353440485 /nfs/dbraw/zinc/44/04/85/353440485.db2.gz KGVMNWKBXSWBQY-VXGBXAGGSA-N 2 1 254.378 -0.557 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000348918110 353440488 /nfs/dbraw/zinc/44/04/88/353440488.db2.gz KGVMNWKBXSWBQY-VXGBXAGGSA-N 2 1 254.378 -0.557 20 0 CBADMP O=C(CCOC1C[NH2+]C1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000349004266 353444221 /nfs/dbraw/zinc/44/42/21/353444221.db2.gz RCNODSNIYMWXQI-NSHDSACASA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CCOC1C[NH2+]C1 ZINC000349006246 353444978 /nfs/dbraw/zinc/44/49/78/353444978.db2.gz UAFNVDFTNAICEW-LBPRGKRZSA-N 2 1 284.404 -0.883 20 0 CBADMP C[C@@H](C(=O)N1CC[NH2+]C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000349194174 353451334 /nfs/dbraw/zinc/45/13/34/353451334.db2.gz CKACWTVJQKGBPT-LBPRGKRZSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000350046373 353470924 /nfs/dbraw/zinc/47/09/24/353470924.db2.gz CGHSQMCOHXSZBW-UONOGXRCSA-N 2 1 297.447 -0.032 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)[C@@H]2C1 ZINC000352806324 353506411 /nfs/dbraw/zinc/50/64/11/353506411.db2.gz PZQQYHOXRYNGTF-KFWWJZLASA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)[C@@H]2C1 ZINC000352806324 353506412 /nfs/dbraw/zinc/50/64/12/353506412.db2.gz PZQQYHOXRYNGTF-KFWWJZLASA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)[C@@H]2C1 ZINC000352806324 353506413 /nfs/dbraw/zinc/50/64/13/353506413.db2.gz PZQQYHOXRYNGTF-KFWWJZLASA-N 2 1 292.427 -0.071 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000353217403 353528387 /nfs/dbraw/zinc/52/83/87/353528387.db2.gz YKXUWHIATWJISF-GFCCVEGCSA-N 2 1 282.388 -0.334 20 0 CBADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353216773 353528560 /nfs/dbraw/zinc/52/85/60/353528560.db2.gz WOXNVCWASJESPV-GXTWGEPZSA-N 2 1 298.431 -0.018 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000353215856 353528597 /nfs/dbraw/zinc/52/85/97/353528597.db2.gz UKZQEUAZKPTHGX-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C[NH3+])OC ZINC000353436312 353532610 /nfs/dbraw/zinc/53/26/10/353532610.db2.gz XVIFLNBIVPDLSU-QWRGUYRKSA-N 2 1 259.350 -0.813 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000353392697 353532829 /nfs/dbraw/zinc/53/28/29/353532829.db2.gz XWNOZMAPBLJHNK-QCNOEVLYSA-N 2 1 253.346 -0.569 20 0 CBADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353578670 353533182 /nfs/dbraw/zinc/53/31/82/353533182.db2.gz OGGSEFDCOLMSKT-GMTAPVOTSA-N 2 1 270.377 -0.432 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000354209492 353549473 /nfs/dbraw/zinc/54/94/73/353549473.db2.gz AMJKOQBRFOCBQE-LBPRGKRZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000354209492 353549475 /nfs/dbraw/zinc/54/94/75/353549475.db2.gz AMJKOQBRFOCBQE-LBPRGKRZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354706260 353579326 /nfs/dbraw/zinc/57/93/26/353579326.db2.gz KGEBKWNJQLYTEF-OLZOCXBDSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354706259 353579378 /nfs/dbraw/zinc/57/93/78/353579378.db2.gz KGEBKWNJQLYTEF-CHWSQXEVSA-N 2 1 296.415 -0.297 20 0 CBADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000354721020 353580159 /nfs/dbraw/zinc/58/01/59/353580159.db2.gz YDOLHFBTJIXITA-OLZOCXBDSA-N 2 1 294.399 -0.449 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354713194 353580290 /nfs/dbraw/zinc/58/02/90/353580290.db2.gz QJJQMZWVURYJJL-NWDGAFQWSA-N 2 1 282.388 -0.687 20 0 CBADMP NC(=O)c1cccnc1N1CC[NH+](CCOCC[NH3+])CC1 ZINC000357080381 353601610 /nfs/dbraw/zinc/60/16/10/353601610.db2.gz LZYBFLYYEGBPSG-UHFFFAOYSA-N 2 1 293.371 -0.722 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCN1CC[NH+](C)CC1 ZINC000354279702 353552714 /nfs/dbraw/zinc/55/27/14/353552714.db2.gz CRRMDBMYLAGGQI-UHFFFAOYSA-N 2 1 256.394 -0.310 20 0 CBADMP C[C@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)C[NH+]1CCOCC1 ZINC000357205390 353601877 /nfs/dbraw/zinc/60/18/77/353601877.db2.gz VVQKOKQMLNPFLH-NEPJUHHUSA-N 2 1 269.389 -0.074 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358051855 353621350 /nfs/dbraw/zinc/62/13/50/353621350.db2.gz RYVDPBSWOXHJLA-TZMCWYRMSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@@H+](CC(=O)NC[C@]1(O)CC[NH+](C)C1)[C@@H]1CCSC1 ZINC000358060295 353623386 /nfs/dbraw/zinc/62/33/86/353623386.db2.gz FGCXDCONEDWDDA-DGCLKSJQSA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCSC1 ZINC000358060295 353623387 /nfs/dbraw/zinc/62/33/87/353623387.db2.gz FGCXDCONEDWDDA-DGCLKSJQSA-N 2 1 287.429 -0.394 20 0 CBADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCSC1 ZINC000358060295 353623389 /nfs/dbraw/zinc/62/33/89/353623389.db2.gz FGCXDCONEDWDDA-DGCLKSJQSA-N 2 1 287.429 -0.394 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000358139393 353628304 /nfs/dbraw/zinc/62/83/04/353628304.db2.gz RNKKZJGMCUTBJO-QWHCGFSZSA-N 2 1 284.404 -0.802 20 0 CBADMP CS(=O)(=O)NCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358492815 353647621 /nfs/dbraw/zinc/64/76/21/353647621.db2.gz BGVRHZOSJSNLKQ-UHFFFAOYSA-N 2 1 261.391 -0.389 20 0 CBADMP C[C@]1(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CCCC[NH2+]1 ZINC000357811237 353607531 /nfs/dbraw/zinc/60/75/31/353607531.db2.gz TVWUINHQEDFEHD-IUODEOHRSA-N 2 1 296.415 -0.025 20 0 CBADMP O[C@@H]1COC[C@H]1[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000361301480 353661054 /nfs/dbraw/zinc/66/10/54/353661054.db2.gz WYRUTDUEDLUBAY-BFHYXJOUSA-N 2 1 270.373 -0.210 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000362498158 353666388 /nfs/dbraw/zinc/66/63/88/353666388.db2.gz KWVHNSRQILSNJS-QWHCGFSZSA-N 2 1 296.415 -0.584 20 0 CBADMP C[N@@H+]([C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCNC1=O ZINC000363478486 353669767 /nfs/dbraw/zinc/66/97/67/353669767.db2.gz LUKNLUZCCZPGJB-KBPBESRZSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000366951271 353678846 /nfs/dbraw/zinc/67/88/46/353678846.db2.gz JVFCKNVKPSYVCB-JHJVBQTASA-N 2 1 284.404 -0.803 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000366951271 353678851 /nfs/dbraw/zinc/67/88/51/353678851.db2.gz JVFCKNVKPSYVCB-JHJVBQTASA-N 2 1 284.404 -0.803 20 0 CBADMP O[C@H]1C[N@@H+](CCOCC[NH+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000368793613 353687183 /nfs/dbraw/zinc/68/71/83/353687183.db2.gz YHRWRJYJANWEPP-OKILXGFUSA-N 2 1 296.411 -0.084 20 0 CBADMP O[C@H]1C[NH+](CCOCC[N@@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000368793613 353687184 /nfs/dbraw/zinc/68/71/84/353687184.db2.gz YHRWRJYJANWEPP-OKILXGFUSA-N 2 1 296.411 -0.084 20 0 CBADMP O[C@H]1C[NH+](CCOCC[N@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000368793613 353687188 /nfs/dbraw/zinc/68/71/88/353687188.db2.gz YHRWRJYJANWEPP-OKILXGFUSA-N 2 1 296.411 -0.084 20 0 CBADMP CC[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000371341349 353700548 /nfs/dbraw/zinc/70/05/48/353700548.db2.gz NMNUEWOBMYYAFB-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372399671 353716609 /nfs/dbraw/zinc/71/66/09/353716609.db2.gz RLOZMQLLTKUHGZ-KGLIPLIRSA-N 2 1 298.431 -0.364 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000372435658 353717273 /nfs/dbraw/zinc/71/72/73/353717273.db2.gz FRDJOOODVQWJTO-DOMZBBRYSA-N 2 1 294.399 -0.734 20 0 CBADMP CCN1CCOC[C@@H]1C(=O)NCCCCN1CCOCC1 ZINC000372842237 353722933 /nfs/dbraw/zinc/72/29/33/353722933.db2.gz VVESLKISLSPBOL-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372912759 353724492 /nfs/dbraw/zinc/72/44/92/353724492.db2.gz QKMZOZNJYHMRAW-IXLVHKGHSA-N 2 1 253.346 -0.692 20 0 CBADMP CN1CCN(C(=O)C[N@H+]2CC[C@@H]3CCN(C)C[C@@H]32)CC1 ZINC000375229763 353756337 /nfs/dbraw/zinc/75/63/37/353756337.db2.gz OYJGECRROZFSEX-KBPBESRZSA-N 2 1 280.416 -0.214 20 0 CBADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)CCC[NH3+])CC2)C1 ZINC000375857605 353768268 /nfs/dbraw/zinc/76/82/68/353768268.db2.gz CWUYHONQDHELHU-AWEZNQCLSA-N 2 1 298.431 -0.410 20 0 CBADMP CC[N@H+]1CCO[C@H](CN2CCN(C(=O)CCC[NH3+])CC2)C1 ZINC000375857605 353768272 /nfs/dbraw/zinc/76/82/72/353768272.db2.gz CWUYHONQDHELHU-AWEZNQCLSA-N 2 1 298.431 -0.410 20 0 CBADMP CNS(=O)(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375898837 353769364 /nfs/dbraw/zinc/76/93/64/353769364.db2.gz YHWOPFJODBXKKK-IJLUTSLNSA-N 2 1 275.418 -0.002 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375898837 353769368 /nfs/dbraw/zinc/76/93/68/353769368.db2.gz YHWOPFJODBXKKK-IJLUTSLNSA-N 2 1 275.418 -0.002 20 0 CBADMP CCN1CCOC[C@@H]1C(=O)NCC[N@@H+](CC)CCO ZINC000376319188 353774023 /nfs/dbraw/zinc/77/40/23/353774023.db2.gz NZUQGBWDVLYIMT-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP C[S@](=O)C1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000380236785 353782523 /nfs/dbraw/zinc/78/25/23/353782523.db2.gz ARTMQMNWUIEYQF-DIFFPNOSSA-N 2 1 260.403 -0.056 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@@H](C)[NH3+] ZINC000399553947 353797478 /nfs/dbraw/zinc/79/74/78/353797478.db2.gz DHOSCXWFYDIVCR-AGIUHOORSA-N 2 1 270.421 -0.032 20 0 CBADMP CNC(=O)C(C)(C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000386145240 353787799 /nfs/dbraw/zinc/78/77/99/353787799.db2.gz OFQLLSKLOOZELV-NSHDSACASA-N 2 1 257.378 -0.197 20 0 CBADMP CNC(=O)C(C)(C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000386145240 353787802 /nfs/dbraw/zinc/78/78/02/353787802.db2.gz OFQLLSKLOOZELV-NSHDSACASA-N 2 1 257.378 -0.197 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC[C@@H](O)C[NH+](C)C1CC1 ZINC000388525286 353789885 /nfs/dbraw/zinc/78/98/85/353789885.db2.gz VMQJDUSPRGHYBQ-UONOGXRCSA-N 2 1 270.421 -0.723 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000388525286 353789886 /nfs/dbraw/zinc/78/98/86/353789886.db2.gz VMQJDUSPRGHYBQ-UONOGXRCSA-N 2 1 270.421 -0.723 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000388525286 353789888 /nfs/dbraw/zinc/78/98/88/353789888.db2.gz VMQJDUSPRGHYBQ-UONOGXRCSA-N 2 1 270.421 -0.723 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@@H]1C ZINC000410709265 353935687 /nfs/dbraw/zinc/93/56/87/353935687.db2.gz FENVNLYIDWGBOR-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@@H]1C ZINC000410709265 353935688 /nfs/dbraw/zinc/93/56/88/353935688.db2.gz FENVNLYIDWGBOR-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP [NH3+]C1(CNC(=O)NCCC[NH+]2CCOCC2)CCC1 ZINC000416785838 353973144 /nfs/dbraw/zinc/97/31/44/353973144.db2.gz BTRVAQICFFPNOM-UHFFFAOYSA-N 2 1 270.377 -0.111 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)CC[NH3+])C1 ZINC000416861437 353974041 /nfs/dbraw/zinc/97/40/41/353974041.db2.gz DUNUJDWVDHDZAR-GFCCVEGCSA-N 2 1 272.393 -0.057 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417088457 353975737 /nfs/dbraw/zinc/97/57/37/353975737.db2.gz HDLCAIZNFXNOGL-BETUJISGSA-N 2 1 284.404 -0.185 20 0 CBADMP C[N@@H+]1CCC[C@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000417275185 353976481 /nfs/dbraw/zinc/97/64/81/353976481.db2.gz BDRFSOSJOJBLTA-QMMMGPOBSA-N 2 1 250.293 -0.026 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000417275185 353976483 /nfs/dbraw/zinc/97/64/83/353976483.db2.gz BDRFSOSJOJBLTA-QMMMGPOBSA-N 2 1 250.293 -0.026 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418394530 353997153 /nfs/dbraw/zinc/99/71/53/353997153.db2.gz XSPVUDXUUYVASL-LBPRGKRZSA-N 2 1 270.377 -0.288 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(CC[NH3+])CCO ZINC000417446627 353977233 /nfs/dbraw/zinc/97/72/33/353977233.db2.gz MMJRTZPHYYIHDF-NSHDSACASA-N 2 1 260.382 -0.321 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)NCC[N@@H+](C)CCOC ZINC000417437113 353977248 /nfs/dbraw/zinc/97/72/48/353977248.db2.gz GMHMSVAOJHZXQR-NSHDSACASA-N 2 1 260.382 -0.281 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417439642 353977762 /nfs/dbraw/zinc/97/77/62/353977762.db2.gz MJAADGVWMWAPSX-SNVBAGLBSA-N 2 1 294.346 -0.139 20 0 CBADMP CC[N@@H+](CCNC(=O)NCCN1CC[NH2+]CC1)C1CC1 ZINC000417489110 353977965 /nfs/dbraw/zinc/97/79/65/353977965.db2.gz PWNGQBMDMBXYLT-UHFFFAOYSA-N 2 1 283.420 -0.325 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)NCC[N@@H+](C)CCOC)C1 ZINC000417442502 353978008 /nfs/dbraw/zinc/97/80/08/353978008.db2.gz UVTYUNDVVGJTCS-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)C[NH3+] ZINC000417569166 353980120 /nfs/dbraw/zinc/98/01/20/353980120.db2.gz QBONQDLTTWQKHM-NEPJUHHUSA-N 2 1 272.393 -0.009 20 0 CBADMP C[C@H](CNC(=O)NCC[C@H](C)[NH3+])C[NH+]1CCOCC1 ZINC000417706787 353980918 /nfs/dbraw/zinc/98/09/18/353980918.db2.gz AEJGVYNZENXGHB-NEPJUHHUSA-N 2 1 272.393 -0.009 20 0 CBADMP C[N@@H+](CCNC(=O)NCCN1CC[NH2+]CC1)C1CC1 ZINC000417629651 353981064 /nfs/dbraw/zinc/98/10/64/353981064.db2.gz SMJGJESATUNXPC-UHFFFAOYSA-N 2 1 269.393 -0.715 20 0 CBADMP C[C@@H](CNC(=O)NC(C)(C)C[NH3+])C[NH+]1CCOCC1 ZINC000417725113 353981739 /nfs/dbraw/zinc/98/17/39/353981739.db2.gz LEPBCPFCCOQNJT-NSHDSACASA-N 2 1 272.393 -0.009 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000417709420 353981794 /nfs/dbraw/zinc/98/17/94/353981794.db2.gz OVCQHHNOUJZXAH-LLVKDONJSA-N 2 1 270.377 -0.112 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000417720024 353982264 /nfs/dbraw/zinc/98/22/64/353982264.db2.gz XDOARFBPBQHUOF-VXGBXAGGSA-N 2 1 270.377 -0.160 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000417715912 353982285 /nfs/dbraw/zinc/98/22/85/353982285.db2.gz TWYJNSPOWSIAJT-VXGBXAGGSA-N 2 1 270.377 -0.256 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000417708045 353982337 /nfs/dbraw/zinc/98/23/37/353982337.db2.gz OABWALLSQQSSGL-NWDGAFQWSA-N 2 1 272.393 -0.138 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)CCC[N@H+]1C ZINC000418008755 353986590 /nfs/dbraw/zinc/98/65/90/353986590.db2.gz SROOCKPWBCQLMI-FRRDWIJNSA-N 2 1 283.420 -0.328 20 0 CBADMP [NH3+]CCNC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418292896 353991299 /nfs/dbraw/zinc/99/12/99/353991299.db2.gz DVFRXZPMJPHVKI-KGLIPLIRSA-N 2 1 292.383 -0.120 20 0 CBADMP C[NH2+]CCNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000418318605 353992723 /nfs/dbraw/zinc/99/27/23/353992723.db2.gz POYLTQUPKSOFLA-PHIMTYICSA-N 2 1 258.366 -0.698 20 0 CBADMP O=C(NCCCN1CC[NH2+]CC1)NCC[N@@H+]1CC=CCC1 ZINC000418303631 353992867 /nfs/dbraw/zinc/99/28/67/353992867.db2.gz WCAURKKRANKKTM-UHFFFAOYSA-N 2 1 295.431 -0.157 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418328046 353993906 /nfs/dbraw/zinc/99/39/06/353993906.db2.gz AJXZSJWTUFHFLZ-CHWSQXEVSA-N 2 1 286.420 -0.012 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000418347328 353993939 /nfs/dbraw/zinc/99/39/39/353993939.db2.gz CZTIEBFMYDWUEP-SDDRHHMPSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000418347332 353993982 /nfs/dbraw/zinc/99/39/82/353993982.db2.gz CZTIEBFMYDWUEP-WOPDTQHZSA-N 2 1 270.377 -0.555 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000418362984 353995199 /nfs/dbraw/zinc/99/51/99/353995199.db2.gz BQBSKUGAAORVBK-QWHCGFSZSA-N 2 1 286.420 -0.012 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418362982 353995247 /nfs/dbraw/zinc/99/52/47/353995247.db2.gz BQBSKUGAAORVBK-OLZOCXBDSA-N 2 1 286.420 -0.012 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418387598 353995604 /nfs/dbraw/zinc/99/56/04/353995604.db2.gz RDQDGUUOIWDGBU-LLVKDONJSA-N 2 1 256.350 -0.678 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000418376216 353996123 /nfs/dbraw/zinc/99/61/23/353996123.db2.gz FWLGXGVZLRTWFT-NWDGAFQWSA-N 2 1 299.419 -0.391 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000418379732 353996201 /nfs/dbraw/zinc/99/62/01/353996201.db2.gz WGNQEGUSKLZOGQ-OLZOCXBDSA-N 2 1 284.404 -0.116 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000419226803 354039540 /nfs/dbraw/zinc/03/95/40/354039540.db2.gz RLSUVEKMUKJHOS-UHFFFAOYSA-N 2 1 294.399 -0.248 20 0 CBADMP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000418470009 353998155 /nfs/dbraw/zinc/99/81/55/353998155.db2.gz QFZSHVYKFSADPJ-AAEUAGOBSA-N 2 1 272.393 -0.130 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000418474026 353998218 /nfs/dbraw/zinc/99/82/18/353998218.db2.gz SCDAHDACHLNTCU-FRRDWIJNSA-N 2 1 284.404 -0.178 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418427769 353998291 /nfs/dbraw/zinc/99/82/91/353998291.db2.gz OUDFCIFAWHKIRW-GFCCVEGCSA-N 2 1 274.409 -0.027 20 0 CBADMP [NH3+][C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000418494365 353998901 /nfs/dbraw/zinc/99/89/01/353998901.db2.gz XSZZPDNRPRICAU-STQMWFEESA-N 2 1 284.404 -0.130 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCC1([NH3+])CCC1 ZINC000418506584 354000499 /nfs/dbraw/zinc/00/04/99/354000499.db2.gz HAVHLKDBCSDBCF-UHFFFAOYSA-N 2 1 258.366 -0.519 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000418531987 354002562 /nfs/dbraw/zinc/00/25/62/354002562.db2.gz SJZHHDJEZPYNQC-LLVKDONJSA-N 2 1 258.366 -0.303 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000418583171 354002913 /nfs/dbraw/zinc/00/29/13/354002913.db2.gz ATFJMGVNMUNINW-QWHCGFSZSA-N 2 1 284.404 -0.042 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000418604916 354004616 /nfs/dbraw/zinc/00/46/16/354004616.db2.gz SODKEZLCJHOYFD-NEPJUHHUSA-N 2 1 272.393 -0.308 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000418604916 354004618 /nfs/dbraw/zinc/00/46/18/354004618.db2.gz SODKEZLCJHOYFD-NEPJUHHUSA-N 2 1 272.393 -0.308 20 0 CBADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418681060 354006052 /nfs/dbraw/zinc/00/60/52/354006052.db2.gz YGADGCWUPLERMN-NNYUYHANSA-N 2 1 252.362 -0.203 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000418739579 354006279 /nfs/dbraw/zinc/00/62/79/354006279.db2.gz YVKHRASHYCCQIO-NWDGAFQWSA-N 2 1 272.393 -0.130 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000418833877 354011472 /nfs/dbraw/zinc/01/14/72/354011472.db2.gz NYIZEQKCFHHVFE-NSHDSACASA-N 2 1 296.371 -0.276 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NCC[NH3+])Cc1ccccc1 ZINC000418951210 354016554 /nfs/dbraw/zinc/01/65/54/354016554.db2.gz WULIZUHNMUEJGC-UHFFFAOYSA-N 2 1 278.356 -0.691 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000418971033 354017340 /nfs/dbraw/zinc/01/73/40/354017340.db2.gz XBASSLOJIJCXHA-GFCCVEGCSA-N 2 1 292.383 -0.302 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419019488 354023515 /nfs/dbraw/zinc/02/35/15/354023515.db2.gz DQHXIFPXDJSODL-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000419025643 354023751 /nfs/dbraw/zinc/02/37/51/354023751.db2.gz OCHIWGUEJWFFSO-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419019484 354024231 /nfs/dbraw/zinc/02/42/31/354024231.db2.gz DQHXIFPXDJSODL-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419027303 354025443 /nfs/dbraw/zinc/02/54/43/354025443.db2.gz OMOPDNNSYBJPGW-GRYCIOLGSA-N 2 1 284.404 -0.456 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)C1 ZINC000419033409 354026838 /nfs/dbraw/zinc/02/68/38/354026838.db2.gz XHWJJRNPCAIVGK-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC[NH3+] ZINC000419080881 354027339 /nfs/dbraw/zinc/02/73/39/354027339.db2.gz QKRHNOHHGITRCG-LLVKDONJSA-N 2 1 270.377 -0.558 20 0 CBADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419096062 354028684 /nfs/dbraw/zinc/02/86/84/354028684.db2.gz DEHAZISIVQWGDH-LLVKDONJSA-N 2 1 284.404 -0.170 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419103006 354028730 /nfs/dbraw/zinc/02/87/30/354028730.db2.gz LKFOQLDKJSHOTC-LLVKDONJSA-N 2 1 270.377 -0.704 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419097548 354028772 /nfs/dbraw/zinc/02/87/72/354028772.db2.gz GADJAJFIHSGRJL-SNVBAGLBSA-N 2 1 268.361 -0.983 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000419111762 354028917 /nfs/dbraw/zinc/02/89/17/354028917.db2.gz UNYROMFPFXXTKL-LLVKDONJSA-N 2 1 282.388 -0.545 20 0 CBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419114444 354029961 /nfs/dbraw/zinc/02/99/61/354029961.db2.gz XGSVETBRJSFFBG-LLVKDONJSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000419159454 354034204 /nfs/dbraw/zinc/03/42/04/354034204.db2.gz ZCYLNNNTTZGPDL-JQWIXIFHSA-N 2 1 282.388 -0.561 20 0 CBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000419171570 354034982 /nfs/dbraw/zinc/03/49/82/354034982.db2.gz PFPALPVBXTWZSJ-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000419225924 354039419 /nfs/dbraw/zinc/03/94/19/354039419.db2.gz PYWOFDYKHHPDRA-UHFFFAOYSA-N 2 1 282.388 -0.520 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000419561771 354061529 /nfs/dbraw/zinc/06/15/29/354061529.db2.gz UFNRKOHCPLMXCA-OUAUKWLOSA-N 2 1 270.377 -0.704 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CCC[N@H+]1C ZINC000419554697 354061718 /nfs/dbraw/zinc/06/17/18/354061718.db2.gz ICLKTGHIIQVXRG-TUAOUCFPSA-N 2 1 282.388 -0.594 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000419561420 354061819 /nfs/dbraw/zinc/06/18/19/354061819.db2.gz SJSUVALIUJGZRR-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000419585683 354063430 /nfs/dbraw/zinc/06/34/30/354063430.db2.gz LXTSSSNJRSPYDJ-QWRGUYRKSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419583976 354063497 /nfs/dbraw/zinc/06/34/97/354063497.db2.gz KUJCEOURJARHRE-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419579895 354064294 /nfs/dbraw/zinc/06/42/94/354064294.db2.gz GXNUMRNJHGXAJA-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419589627 354065106 /nfs/dbraw/zinc/06/51/06/354065106.db2.gz PIKOVVYAYVGDBW-SNVBAGLBSA-N 2 1 256.350 -0.948 20 0 CBADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000419593581 354065423 /nfs/dbraw/zinc/06/54/23/354065423.db2.gz SWMMJACYZAIGLS-YPMHNXCESA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)[N@@H+](C)C1CC1 ZINC000419596039 354065494 /nfs/dbraw/zinc/06/54/94/354065494.db2.gz XLCRUBNNTUPTBI-NSHDSACASA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH3+] ZINC000419592095 354065538 /nfs/dbraw/zinc/06/55/38/354065538.db2.gz RVNVRZJEVDQTEK-NSHDSACASA-N 2 1 270.377 -0.558 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@H+](C)C1CC1 ZINC000419594773 354065610 /nfs/dbraw/zinc/06/56/10/354065610.db2.gz VJAPDJMZPVVLCM-QMMMGPOBSA-N 2 1 292.330 -0.705 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@@H+](C)C1CC1 ZINC000419594773 354065613 /nfs/dbraw/zinc/06/56/13/354065613.db2.gz VJAPDJMZPVVLCM-QMMMGPOBSA-N 2 1 292.330 -0.705 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C1CCCC1 ZINC000419692179 354069817 /nfs/dbraw/zinc/06/98/17/354069817.db2.gz GFVXGGMVUQZKPR-CYBMUJFWSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419692760 354070094 /nfs/dbraw/zinc/07/00/94/354070094.db2.gz HFHZYSUGKVLRCS-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000419700966 354071367 /nfs/dbraw/zinc/07/13/67/354071367.db2.gz YOENZDNZQNQJKP-UHFFFAOYSA-N 2 1 282.388 -0.591 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419719342 354071970 /nfs/dbraw/zinc/07/19/70/354071970.db2.gz CJNNCAFWTPWJOZ-PWSUYJOCSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419736763 354073911 /nfs/dbraw/zinc/07/39/11/354073911.db2.gz SDMHZDRDLULJMR-WCQYABFASA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)([NH3+])CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419732389 354074073 /nfs/dbraw/zinc/07/40/73/354074073.db2.gz MLDSQTALIGKBKJ-LBPRGKRZSA-N 2 1 296.415 -0.027 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419735425 354074164 /nfs/dbraw/zinc/07/41/64/354074164.db2.gz QJZHBFALQFFFDU-UHFFFAOYSA-N 2 1 280.319 -0.845 20 0 CBADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419740808 354074707 /nfs/dbraw/zinc/07/47/07/354074707.db2.gz YFHLRPSUDKADFD-YPMHNXCESA-N 2 1 294.399 -0.402 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419756692 354075068 /nfs/dbraw/zinc/07/50/68/354075068.db2.gz BFZTYZXUSYDRHX-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419762876 354075635 /nfs/dbraw/zinc/07/56/35/354075635.db2.gz MPSLEPWMLNWMAQ-UHFFFAOYSA-N 2 1 284.404 -0.168 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCCC[NH3+] ZINC000419764801 354075800 /nfs/dbraw/zinc/07/58/00/354075800.db2.gz PSBCYWGXTYSZKV-UHFFFAOYSA-N 2 1 258.366 -0.701 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000419769688 354076572 /nfs/dbraw/zinc/07/65/72/354076572.db2.gz VUZCVVYTRPJTNP-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419813301 354079476 /nfs/dbraw/zinc/07/94/76/354079476.db2.gz GWQJHQSBYPHEIG-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419812008 354079528 /nfs/dbraw/zinc/07/95/28/354079528.db2.gz GILOYEXBDGECPG-UPJWGTAASA-N 2 1 296.415 -0.171 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCC[NH3+])CC[N@@H+]1C ZINC000419829736 354081446 /nfs/dbraw/zinc/08/14/46/354081446.db2.gz FGWWATBBCKCULJ-NSHDSACASA-N 2 1 270.377 -0.750 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCC[NH3+])CC[N@H+]1C ZINC000419829736 354081447 /nfs/dbraw/zinc/08/14/47/354081447.db2.gz FGWWATBBCKCULJ-NSHDSACASA-N 2 1 270.377 -0.750 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419836373 354082355 /nfs/dbraw/zinc/08/23/55/354082355.db2.gz BMNXUVMQRHSYGL-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCCC[NH3+])CC[N@@H+]1C ZINC000419832787 354082373 /nfs/dbraw/zinc/08/23/73/354082373.db2.gz OKWKPPPXZTWCCQ-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCCC[NH3+])CC[N@H+]1C ZINC000419832787 354082375 /nfs/dbraw/zinc/08/23/75/354082375.db2.gz OKWKPPPXZTWCCQ-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP [NH3+]CCCNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000419836424 354082549 /nfs/dbraw/zinc/08/25/49/354082549.db2.gz XLPJVBFIDIFDMX-UHFFFAOYSA-N 2 1 268.361 -0.852 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCC[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000419839249 354083498 /nfs/dbraw/zinc/08/34/98/354083498.db2.gz QBUYNVNNTKWJDT-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000419848198 354084557 /nfs/dbraw/zinc/08/45/57/354084557.db2.gz UDYFJOQDROTVRP-GFCCVEGCSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000419848198 354084559 /nfs/dbraw/zinc/08/45/59/354084559.db2.gz UDYFJOQDROTVRP-GFCCVEGCSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419851431 354085045 /nfs/dbraw/zinc/08/50/45/354085045.db2.gz IWLFQHMZXVCDAD-CYBMUJFWSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCCC[NH2+]C)C(C)C ZINC000419853444 354085731 /nfs/dbraw/zinc/08/57/31/354085731.db2.gz SIEALRGADRQGOC-UHFFFAOYSA-N 2 1 272.393 -0.441 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C(C)C ZINC000419871980 354087010 /nfs/dbraw/zinc/08/70/10/354087010.db2.gz TYEYSNUHLWEBHY-LBPRGKRZSA-N 2 1 284.404 -0.314 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419285502 354044291 /nfs/dbraw/zinc/04/42/91/354044291.db2.gz MNDNVIBPYYBPKL-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000419316099 354045894 /nfs/dbraw/zinc/04/58/94/354045894.db2.gz KTBXANSCTJLDIR-QWRGUYRKSA-N 2 1 280.372 -0.840 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419337937 354046779 /nfs/dbraw/zinc/04/67/79/354046779.db2.gz RMJBHYPPFAPQHO-NQBHXWOUSA-N 2 1 294.399 -0.594 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000419337536 354046900 /nfs/dbraw/zinc/04/69/00/354046900.db2.gz QUCJRAXGKRYHHR-LOWVWBTDSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419341158 354047001 /nfs/dbraw/zinc/04/70/01/354047001.db2.gz YAJGTLHPRHORSR-JQWIXIFHSA-N 2 1 294.399 -0.417 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419333985 354047352 /nfs/dbraw/zinc/04/73/52/354047352.db2.gz MUSXMJZPCCXYOK-CMPLNLGQSA-N 2 1 280.372 -0.983 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000419324546 354047420 /nfs/dbraw/zinc/04/74/20/354047420.db2.gz VQNMHJPSWHCBAS-UTUOFQBUSA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000419403016 354051448 /nfs/dbraw/zinc/05/14/48/354051448.db2.gz CZCLNDPKKYNWTD-YPMHNXCESA-N 2 1 296.415 -0.312 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000419403480 354051531 /nfs/dbraw/zinc/05/15/31/354051531.db2.gz DZWVBXPYCAMZIH-LLVKDONJSA-N 2 1 298.412 -0.116 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419409623 354052492 /nfs/dbraw/zinc/05/24/92/354052492.db2.gz NFRYIYQMUVTYNY-QWHCGFSZSA-N 2 1 298.431 -0.194 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000419411048 354052522 /nfs/dbraw/zinc/05/25/22/354052522.db2.gz PTUGYQIRWVSYTL-LLVKDONJSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000419408864 354052689 /nfs/dbraw/zinc/05/26/89/354052689.db2.gz MFUVFCYVMHEBME-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C1CC1 ZINC000419502245 354056437 /nfs/dbraw/zinc/05/64/37/354056437.db2.gz CLYLYFYVGBLMKZ-DGCLKSJQSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419521552 354057641 /nfs/dbraw/zinc/05/76/41/354057641.db2.gz KDYTWPXTXIAZSM-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419530420 354058129 /nfs/dbraw/zinc/05/81/29/354058129.db2.gz ZHUNOYIBVWGHDM-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH3+] ZINC000419528938 354058271 /nfs/dbraw/zinc/05/82/71/354058271.db2.gz XCRISCNIECYDTC-JTQLQIEISA-N 2 1 258.366 -0.750 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419525590 354058307 /nfs/dbraw/zinc/05/83/07/354058307.db2.gz ROQLLZWITDKZOH-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)C1CC1 ZINC000419530289 354058382 /nfs/dbraw/zinc/05/83/82/354058382.db2.gz YUKSZGWZPOYHBW-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419524917 354058438 /nfs/dbraw/zinc/05/84/38/354058438.db2.gz QOOUDQLKLBAORZ-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419526362 354058770 /nfs/dbraw/zinc/05/87/70/354058770.db2.gz SWGQFRIPIMCXKZ-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419525648 354058775 /nfs/dbraw/zinc/05/87/75/354058775.db2.gz RXFLMGFSNBYGOS-JQWIXIFHSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CCC[N@H+]1C ZINC000419543790 354060649 /nfs/dbraw/zinc/06/06/49/354060649.db2.gz GUGZPOGRGQXDEE-YVECIDJPSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CCC[N@H+]1C ZINC000419557303 354061055 /nfs/dbraw/zinc/06/10/55/354061055.db2.gz MFNPQYNFXZLJDI-ZJUUUORDSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)CCC[N@H+]1C ZINC000419557092 354061304 /nfs/dbraw/zinc/06/13/04/354061304.db2.gz LUKMAYHZFYDTOM-QNWHQSFQSA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCC[N@H+]1C ZINC000419556018 354061377 /nfs/dbraw/zinc/06/13/77/354061377.db2.gz JZMJEMYCSROJMA-IJLUTSLNSA-N 2 1 282.388 -0.465 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC[NH2+]C)C[C@H]1C ZINC000419882415 354089258 /nfs/dbraw/zinc/08/92/58/354089258.db2.gz XPTLZMCRZIQHMY-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC[NH2+]C)C[C@H]1C ZINC000419882415 354089261 /nfs/dbraw/zinc/08/92/61/354089261.db2.gz XPTLZMCRZIQHMY-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419887869 354089595 /nfs/dbraw/zinc/08/95/95/354089595.db2.gz JNHABEUOIWCDPC-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419889807 354089619 /nfs/dbraw/zinc/08/96/19/354089619.db2.gz SDMBBSMPNJRBFJ-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419887257 354090154 /nfs/dbraw/zinc/09/01/54/354090154.db2.gz DEXKYOOSKYZYIP-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000419892757 354090806 /nfs/dbraw/zinc/09/08/06/354090806.db2.gz UUSFVFIWJOVGFQ-RYUDHWBXSA-N 2 1 282.388 -0.737 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000419892757 354090808 /nfs/dbraw/zinc/09/08/08/354090808.db2.gz UUSFVFIWJOVGFQ-RYUDHWBXSA-N 2 1 282.388 -0.737 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000419896683 354090879 /nfs/dbraw/zinc/09/08/79/354090879.db2.gz UWYYNEOMBDXBQA-UHFFFAOYSA-N 2 1 270.377 -0.735 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000419898203 354091732 /nfs/dbraw/zinc/09/17/32/354091732.db2.gz BOIDBUXAPBLDPF-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000419898202 354092084 /nfs/dbraw/zinc/09/20/84/354092084.db2.gz BOIDBUXAPBLDPF-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000419927451 354094442 /nfs/dbraw/zinc/09/44/42/354094442.db2.gz CSHWODFTCOHOHS-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC[N@@H+]1C ZINC000419963334 354098022 /nfs/dbraw/zinc/09/80/22/354098022.db2.gz VXNDHNCGWDQUPX-NEPJUHHUSA-N 2 1 284.404 -0.504 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC[N@H+]1C ZINC000419963334 354098023 /nfs/dbraw/zinc/09/80/23/354098023.db2.gz VXNDHNCGWDQUPX-NEPJUHHUSA-N 2 1 284.404 -0.504 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000419964316 354098042 /nfs/dbraw/zinc/09/80/42/354098042.db2.gz FTXOLDBXQVJZOA-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000420021004 354103263 /nfs/dbraw/zinc/10/32/63/354103263.db2.gz GRGPEWNTXIFGKK-TUAOUCFPSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420028508 354104311 /nfs/dbraw/zinc/10/43/11/354104311.db2.gz HHHAIDAHGFLMAO-QWHCGFSZSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C[C@@H]1C ZINC000420054864 354106101 /nfs/dbraw/zinc/10/61/01/354106101.db2.gz FWFDEFPRIJZWPM-GVXVVHGQSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C[C@@H]1C ZINC000420054864 354106103 /nfs/dbraw/zinc/10/61/03/354106103.db2.gz FWFDEFPRIJZWPM-GVXVVHGQSA-N 2 1 296.415 -0.219 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420072281 354107231 /nfs/dbraw/zinc/10/72/31/354107231.db2.gz YXRSJELHEVOICC-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420284748 354121918 /nfs/dbraw/zinc/12/19/18/354121918.db2.gz DKKUADWVMFJJDT-GHMZBOCLSA-N 2 1 271.361 -0.275 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420284748 354121919 /nfs/dbraw/zinc/12/19/19/354121919.db2.gz DKKUADWVMFJJDT-GHMZBOCLSA-N 2 1 271.361 -0.275 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000420299333 354122033 /nfs/dbraw/zinc/12/20/33/354122033.db2.gz ASOCNCZNIPNTCL-MELADBBJSA-N 2 1 280.416 -0.180 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000420299333 354122034 /nfs/dbraw/zinc/12/20/34/354122034.db2.gz ASOCNCZNIPNTCL-MELADBBJSA-N 3 1 280.416 -0.180 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000420299333 354122035 /nfs/dbraw/zinc/12/20/35/354122035.db2.gz ASOCNCZNIPNTCL-MELADBBJSA-N 3 1 280.416 -0.180 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420317618 354123063 /nfs/dbraw/zinc/12/30/63/354123063.db2.gz ZQXVVDSGACSNAA-MNOVXSKESA-N 2 1 271.361 -0.323 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CC[NH2+]C[C@](C)(F)C2)CC1 ZINC000420335135 354124599 /nfs/dbraw/zinc/12/45/99/354124599.db2.gz PGFVPQKGYJHDLR-AWEZNQCLSA-N 2 1 286.395 -0.216 20 0 CBADMP COC(=O)CN(C)C(=O)CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420356790 354125316 /nfs/dbraw/zinc/12/53/16/354125316.db2.gz GLRYURQASVJXSP-JTQLQIEISA-N 2 1 273.377 -0.029 20 0 CBADMP CC(C)C[C@@H]1C(=O)NCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420353711 354125448 /nfs/dbraw/zinc/12/54/48/354125448.db2.gz BYFJJFRPTKRRPK-CYBMUJFWSA-N 2 1 268.405 -0.262 20 0 CBADMP CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000420353711 354125449 /nfs/dbraw/zinc/12/54/49/354125449.db2.gz BYFJJFRPTKRRPK-CYBMUJFWSA-N 2 1 268.405 -0.262 20 0 CBADMP CCCN1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC1=O ZINC000420366162 354125774 /nfs/dbraw/zinc/12/57/74/354125774.db2.gz FPSSKUOJRZCCJN-UHFFFAOYSA-N 2 1 296.415 -0.247 20 0 CBADMP COC(=O)C[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000420358527 354125837 /nfs/dbraw/zinc/12/58/37/354125837.db2.gz JJJFKPYQHCJTFM-GFCCVEGCSA-N 2 1 283.372 -0.164 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420393205 354126328 /nfs/dbraw/zinc/12/63/28/354126328.db2.gz BVYHVYKJJFHNEO-QWRGUYRKSA-N 2 1 263.407 -0.158 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420393205 354126329 /nfs/dbraw/zinc/12/63/29/354126329.db2.gz BVYHVYKJJFHNEO-QWRGUYRKSA-N 2 1 263.407 -0.158 20 0 CBADMP COC(=O)CN(C)C(=O)CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420375429 354126425 /nfs/dbraw/zinc/12/64/25/354126425.db2.gz SXIGHBMSNBEAJX-UHIISALHSA-N 2 1 285.388 -0.016 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420393206 354126430 /nfs/dbraw/zinc/12/64/30/354126430.db2.gz BVYHVYKJJFHNEO-WDEREUQCSA-N 2 1 263.407 -0.158 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420393206 354126433 /nfs/dbraw/zinc/12/64/33/354126433.db2.gz BVYHVYKJJFHNEO-WDEREUQCSA-N 2 1 263.407 -0.158 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000420384039 354127189 /nfs/dbraw/zinc/12/71/89/354127189.db2.gz TXFFJMBIZCEQNJ-AVGNSLFASA-N 2 1 268.405 -0.182 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000423217943 354165575 /nfs/dbraw/zinc/16/55/75/354165575.db2.gz SVORXEAWBWFUAA-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423294917 354166570 /nfs/dbraw/zinc/16/65/70/354166570.db2.gz VPVKRPWJFPGJFQ-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC[NH2+]1 ZINC000423252607 354166745 /nfs/dbraw/zinc/16/67/45/354166745.db2.gz XTXXTRQWPVYKHU-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423285712 354167150 /nfs/dbraw/zinc/16/71/50/354167150.db2.gz ZVPLRDJVPGLXDE-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP COC(=O)C[C@H](N)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000423325937 354167954 /nfs/dbraw/zinc/16/79/54/354167954.db2.gz KASVJARRUDODRW-MNOVXSKESA-N 2 1 271.361 -0.133 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000423325937 354167961 /nfs/dbraw/zinc/16/79/61/354167961.db2.gz KASVJARRUDODRW-MNOVXSKESA-N 2 1 271.361 -0.133 20 0 CBADMP CC[C@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000423379206 354173531 /nfs/dbraw/zinc/17/35/31/354173531.db2.gz GKYXGWSYDBLUJA-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423382601 354173589 /nfs/dbraw/zinc/17/35/89/354173589.db2.gz DKPDLFXJHSCIAW-UWVGGRQHSA-N 2 1 259.350 -0.277 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@H]1C ZINC000423385781 354173781 /nfs/dbraw/zinc/17/37/81/354173781.db2.gz KUMFAKAOLMTEDM-GHMZBOCLSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@H]1C ZINC000423385781 354173782 /nfs/dbraw/zinc/17/37/82/354173782.db2.gz KUMFAKAOLMTEDM-GHMZBOCLSA-N 2 1 255.362 -0.491 20 0 CBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423380087 354173938 /nfs/dbraw/zinc/17/39/38/354173938.db2.gz DIVIJBXMXLNCGO-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H]1C ZINC000423391094 354174717 /nfs/dbraw/zinc/17/47/17/354174717.db2.gz PGSSWQZFENELHM-FRRDWIJNSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H]1C ZINC000423391094 354174719 /nfs/dbraw/zinc/17/47/19/354174719.db2.gz PGSSWQZFENELHM-FRRDWIJNSA-N 2 1 296.415 -0.123 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000423446628 354176243 /nfs/dbraw/zinc/17/62/43/354176243.db2.gz SXBDPPSKBQRZDX-AWEZNQCLSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[C@@H](O)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000421025574 354139371 /nfs/dbraw/zinc/13/93/71/354139371.db2.gz RCJYWZNJOCNGSA-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000421025574 354139373 /nfs/dbraw/zinc/13/93/73/354139373.db2.gz RCJYWZNJOCNGSA-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422268774 354144401 /nfs/dbraw/zinc/14/44/01/354144401.db2.gz KTQAJJRYCYBTQE-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422268775 354144733 /nfs/dbraw/zinc/14/47/33/354144733.db2.gz KTQAJJRYCYBTQE-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)[C@@H]2C)C1 ZINC000422422744 354146988 /nfs/dbraw/zinc/14/69/88/354146988.db2.gz GNXMTYFKXKFFOS-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000422422744 354146991 /nfs/dbraw/zinc/14/69/91/354146991.db2.gz GNXMTYFKXKFFOS-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000422422744 354146995 /nfs/dbraw/zinc/14/69/95/354146995.db2.gz GNXMTYFKXKFFOS-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000422716621 354152009 /nfs/dbraw/zinc/15/20/09/354152009.db2.gz UPSZAPHCQRENNY-VXGBXAGGSA-N 2 1 255.362 -0.084 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000422716621 354152012 /nfs/dbraw/zinc/15/20/12/354152012.db2.gz UPSZAPHCQRENNY-VXGBXAGGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000422856696 354156791 /nfs/dbraw/zinc/15/67/91/354156791.db2.gz FVQKPGOVHCOWNA-RYUDHWBXSA-N 2 1 255.362 -0.051 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000422856696 354156794 /nfs/dbraw/zinc/15/67/94/354156794.db2.gz FVQKPGOVHCOWNA-RYUDHWBXSA-N 2 1 255.362 -0.051 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000423013467 354160457 /nfs/dbraw/zinc/16/04/57/354160457.db2.gz MVFQRBVNKIOSEJ-ZDUSSCGKSA-N 2 1 296.415 -0.406 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423526274 354179128 /nfs/dbraw/zinc/17/91/28/354179128.db2.gz QDCADMSIXMHCIQ-TXEJJXNPSA-N 2 1 294.399 -0.783 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@H](C)[N@H+]1C ZINC000423613147 354184903 /nfs/dbraw/zinc/18/49/03/354184903.db2.gz OWCHVDJYXHEUOW-OUAUKWLOSA-N 2 1 268.361 -0.903 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000423613147 354184905 /nfs/dbraw/zinc/18/49/05/354184905.db2.gz OWCHVDJYXHEUOW-OUAUKWLOSA-N 2 1 268.361 -0.903 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000423624999 354185959 /nfs/dbraw/zinc/18/59/59/354185959.db2.gz CIWNPKANEDCIMF-FVCCEPFGSA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000423624999 354185962 /nfs/dbraw/zinc/18/59/62/354185962.db2.gz CIWNPKANEDCIMF-FVCCEPFGSA-N 2 1 296.415 -0.267 20 0 CBADMP COC[C@]1(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CCC[NH2+]1 ZINC000423630971 354186845 /nfs/dbraw/zinc/18/68/45/354186845.db2.gz FXRDPANTZKEEAY-DZGCQCFKSA-N 2 1 299.415 -0.020 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423646748 354188403 /nfs/dbraw/zinc/18/84/03/354188403.db2.gz MHUIXXSULGSTAD-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C[C@H](C)[N@H+]1C ZINC000423699114 354191883 /nfs/dbraw/zinc/19/18/83/354191883.db2.gz QJJJKTLPBCPPGY-TYNCELHUSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000423699114 354191887 /nfs/dbraw/zinc/19/18/87/354191887.db2.gz QJJJKTLPBCPPGY-TYNCELHUSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000423730430 354195197 /nfs/dbraw/zinc/19/51/97/354195197.db2.gz XXZBTSAKYYBWOM-LLVKDONJSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)C[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000423756467 354197392 /nfs/dbraw/zinc/19/73/92/354197392.db2.gz BHSRSWXOJHDRTK-MJBXVCDLSA-N 2 1 299.415 -0.068 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000423776708 354199255 /nfs/dbraw/zinc/19/92/55/354199255.db2.gz AVJLJJNDAZGHEG-NSHDSACASA-N 2 1 271.361 -0.179 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000423779445 354199309 /nfs/dbraw/zinc/19/93/09/354199309.db2.gz UZPVDVJJEBHLFV-NWDGAFQWSA-N 2 1 255.362 -0.227 20 0 CBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000423795419 354200316 /nfs/dbraw/zinc/20/03/16/354200316.db2.gz KNMQJHMQZTXIOK-ZDUSSCGKSA-N 2 1 299.415 -0.208 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000423860055 354202237 /nfs/dbraw/zinc/20/22/37/354202237.db2.gz LGAZMWIBBNRRMY-MNOVXSKESA-N 2 1 271.361 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000423860055 354202241 /nfs/dbraw/zinc/20/22/41/354202241.db2.gz LGAZMWIBBNRRMY-MNOVXSKESA-N 2 1 271.361 -0.181 20 0 CBADMP CC[C@H]1CN(C(=O)COC2C[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000423864331 354203509 /nfs/dbraw/zinc/20/35/09/354203509.db2.gz BQWGWWFPXJHIJV-GXTWGEPZSA-N 2 1 297.399 -0.456 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)COC2C[NH2+]C2)C[C@H]1C ZINC000423888029 354204108 /nfs/dbraw/zinc/20/41/08/354204108.db2.gz GZENWAUHPRGPEL-LLVKDONJSA-N 2 1 299.371 -0.929 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)COC2C[NH2+]C2)C[C@H]1C ZINC000423888029 354204112 /nfs/dbraw/zinc/20/41/12/354204112.db2.gz GZENWAUHPRGPEL-LLVKDONJSA-N 2 1 299.371 -0.929 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423897003 354204589 /nfs/dbraw/zinc/20/45/89/354204589.db2.gz OHFRYOUWVAROMV-NEPJUHHUSA-N 2 1 285.388 -0.062 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423897003 354204590 /nfs/dbraw/zinc/20/45/90/354204590.db2.gz OHFRYOUWVAROMV-NEPJUHHUSA-N 2 1 285.388 -0.062 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@H]1C ZINC000423902930 354205348 /nfs/dbraw/zinc/20/53/48/354205348.db2.gz VUFVZDWWDUGVQX-LLVKDONJSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@H]1C ZINC000423902930 354205350 /nfs/dbraw/zinc/20/53/50/354205350.db2.gz VUFVZDWWDUGVQX-LLVKDONJSA-N 2 1 283.372 -0.308 20 0 CBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)C[NH2+]CC3CC3)[C@H]2C1 ZINC000423934978 354205436 /nfs/dbraw/zinc/20/54/36/354205436.db2.gz XPSBTRBVGIQYEF-STQMWFEESA-N 2 1 267.373 -0.083 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000424196588 354217942 /nfs/dbraw/zinc/21/79/42/354217942.db2.gz NDUUJHYGZMGPOS-CHWSQXEVSA-N 2 1 276.340 -0.457 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424160120 354212159 /nfs/dbraw/zinc/21/21/59/354212159.db2.gz WTJFSAMMRCYKKR-MRVPVSSYSA-N 2 1 288.302 -0.474 20 0 CBADMP CN(C)c1nc(N2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)cc[nH+]1 ZINC000424148705 354212308 /nfs/dbraw/zinc/21/23/08/354212308.db2.gz UVTUAOKWYQXDHY-MNOVXSKESA-N 2 1 290.371 -0.462 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424143435 354212538 /nfs/dbraw/zinc/21/25/38/354212538.db2.gz JQWOGWNVCSWAQR-VXGBXAGGSA-N 2 1 292.387 -0.021 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424143435 354212539 /nfs/dbraw/zinc/21/25/39/354212539.db2.gz JQWOGWNVCSWAQR-VXGBXAGGSA-N 2 1 292.387 -0.021 20 0 CBADMP CNS(=O)(=O)CCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430578788 354250891 /nfs/dbraw/zinc/25/08/91/354250891.db2.gz FRAWANDEJZZHIR-JTQLQIEISA-N 2 1 251.396 -0.111 20 0 CBADMP C[C@@H](CNC(=O)C(C)(C)[NH3+])CN1CC[NH+](C)CC1 ZINC000431002981 354251473 /nfs/dbraw/zinc/25/14/73/354251473.db2.gz FAUDVJKYCPHOHV-NSHDSACASA-N 2 1 256.394 -0.277 20 0 CBADMP CC(C)[C@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000433174755 354253095 /nfs/dbraw/zinc/25/30/95/354253095.db2.gz KHGDNFYPLPJZHS-OLZOCXBDSA-N 2 1 298.431 -0.079 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)CN1CC[NH+](C)CC1 ZINC000444264054 354266452 /nfs/dbraw/zinc/26/64/52/354266452.db2.gz BSIZCCMCCBBMGJ-YCPHGPKFSA-N 2 1 294.443 -0.014 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000446365212 354286872 /nfs/dbraw/zinc/28/68/72/354286872.db2.gz VMDGDPCTWPSFFT-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP COC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCOCC1 ZINC000446820196 354290710 /nfs/dbraw/zinc/29/07/10/354290710.db2.gz ZNUWJPHTSYZVDT-STQMWFEESA-N 2 1 260.378 -0.060 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000447436579 354298854 /nfs/dbraw/zinc/29/88/54/354298854.db2.gz ADOBDMVSULDHMT-ZMLRMANQSA-N 2 1 255.362 -0.051 20 0 CBADMP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000449398026 354319881 /nfs/dbraw/zinc/31/98/81/354319881.db2.gz SMCPHUPHSKYWMX-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000449658925 354320495 /nfs/dbraw/zinc/32/04/95/354320495.db2.gz ABABMQNICZGGDD-UWVGGRQHSA-N 2 1 277.315 -0.180 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000449658925 354320498 /nfs/dbraw/zinc/32/04/98/354320498.db2.gz ABABMQNICZGGDD-UWVGGRQHSA-N 2 1 277.315 -0.180 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000449658927 354320950 /nfs/dbraw/zinc/32/09/50/354320950.db2.gz ABABMQNICZGGDD-ZJUUUORDSA-N 2 1 277.315 -0.180 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000449658927 354320952 /nfs/dbraw/zinc/32/09/52/354320952.db2.gz ABABMQNICZGGDD-ZJUUUORDSA-N 2 1 277.315 -0.180 20 0 CBADMP C[C@H](O)CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000450350287 354324615 /nfs/dbraw/zinc/32/46/15/354324615.db2.gz QTQQVQGALJQBPE-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP C[C@@H](O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000450498887 354325768 /nfs/dbraw/zinc/32/57/68/354325768.db2.gz HEWKFIILUIPPEG-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000450498887 354325771 /nfs/dbraw/zinc/32/57/71/354325771.db2.gz HEWKFIILUIPPEG-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@](O)(C(F)F)C2)CC1 ZINC000451424910 354336338 /nfs/dbraw/zinc/33/63/38/354336338.db2.gz GQVHQWIYFGDPPR-ZDUSSCGKSA-N 2 1 291.342 -0.148 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@](O)(C(F)F)C2)CC1 ZINC000451424910 354336340 /nfs/dbraw/zinc/33/63/40/354336340.db2.gz GQVHQWIYFGDPPR-ZDUSSCGKSA-N 2 1 291.342 -0.148 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000459040254 354381533 /nfs/dbraw/zinc/38/15/33/354381533.db2.gz LFXFFYMNDBETHX-NWDGAFQWSA-N 2 1 272.393 -0.356 20 0 CBADMP C[C@@H](CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C)[NH+](C)C ZINC000459055196 354381711 /nfs/dbraw/zinc/38/17/11/354381711.db2.gz JAYTZUFDGDHSTN-RYUDHWBXSA-N 2 1 272.393 -0.356 20 0 CBADMP C[C@@H](CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[NH+](C)C ZINC000459055196 354381714 /nfs/dbraw/zinc/38/17/14/354381714.db2.gz JAYTZUFDGDHSTN-RYUDHWBXSA-N 2 1 272.393 -0.356 20 0 CBADMP C[C@@H](CNC(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+](C)C ZINC000459055192 354381914 /nfs/dbraw/zinc/38/19/14/354381914.db2.gz JAYTZUFDGDHSTN-NWDGAFQWSA-N 2 1 272.393 -0.356 20 0 CBADMP C[C@@H](CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+](C)C ZINC000459055192 354381920 /nfs/dbraw/zinc/38/19/20/354381920.db2.gz JAYTZUFDGDHSTN-NWDGAFQWSA-N 2 1 272.393 -0.356 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000459897070 354392515 /nfs/dbraw/zinc/39/25/15/354392515.db2.gz NPSWFXNNQFJROY-UHFFFAOYSA-N 2 1 296.415 -0.439 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC[NH2+]1 ZINC000478962772 354406470 /nfs/dbraw/zinc/40/64/70/354406470.db2.gz UZDNNXLEWIPMNJ-RWMBFGLXSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC[NH2+]1 ZINC000478962763 354406669 /nfs/dbraw/zinc/40/66/69/354406669.db2.gz UZDNNXLEWIPMNJ-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCOCC[NH+](C)C ZINC000487237209 354412670 /nfs/dbraw/zinc/41/26/70/354412670.db2.gz XWPBJUCBFSYDTH-NEPJUHHUSA-N 2 1 257.378 -0.122 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000487453779 354415741 /nfs/dbraw/zinc/41/57/41/354415741.db2.gz TXCMIEWESGZUMS-JHJVBQTASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000487453779 354415742 /nfs/dbraw/zinc/41/57/42/354415742.db2.gz TXCMIEWESGZUMS-JHJVBQTASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000487453779 354415747 /nfs/dbraw/zinc/41/57/47/354415747.db2.gz TXCMIEWESGZUMS-JHJVBQTASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000487453779 354415749 /nfs/dbraw/zinc/41/57/49/354415749.db2.gz TXCMIEWESGZUMS-JHJVBQTASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000487453779 354415752 /nfs/dbraw/zinc/41/57/52/354415752.db2.gz TXCMIEWESGZUMS-JHJVBQTASA-N 2 1 269.389 -0.291 20 0 CBADMP COCC[NH+]1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000491864499 354461137 /nfs/dbraw/zinc/46/11/37/354461137.db2.gz FYJLEBURWNXSKM-SNAWJCMRSA-N 2 1 255.362 -0.105 20 0 CBADMP CN1CC[NH+](CCCNC(=O)/C=C/C[NH+](C)C)CC1 ZINC000491896258 354462312 /nfs/dbraw/zinc/46/23/12/354462312.db2.gz ZANBUAXOYZBJTG-GQCTYLIASA-N 2 1 268.405 -0.142 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)/C=C/C[NH+](C)C)CC[N@@H+](C)C1 ZINC000493236634 354491357 /nfs/dbraw/zinc/49/13/57/354491357.db2.gz HKLWVVKPVOCIFY-BTDICHCPSA-N 2 1 283.372 -0.333 20 0 CBADMP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000514735447 354555247 /nfs/dbraw/zinc/55/52/47/354555247.db2.gz DEDVPFKRDWOZGN-JQWIXIFHSA-N 2 1 280.372 -0.840 20 0 CBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535715293 354602321 /nfs/dbraw/zinc/60/23/21/354602321.db2.gz JXPLZVLJNYBKRU-HIFRSBDPSA-N 2 1 292.427 -0.023 20 0 CBADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000535715293 354602325 /nfs/dbraw/zinc/60/23/25/354602325.db2.gz JXPLZVLJNYBKRU-HIFRSBDPSA-N 2 1 292.427 -0.023 20 0 CBADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000535715293 354602330 /nfs/dbraw/zinc/60/23/30/354602330.db2.gz JXPLZVLJNYBKRU-HIFRSBDPSA-N 2 1 292.427 -0.023 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529310104 354583956 /nfs/dbraw/zinc/58/39/56/354583956.db2.gz PAZMLBKAUZBNCQ-WDEREUQCSA-N 2 1 256.350 -0.632 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529320567 354584665 /nfs/dbraw/zinc/58/46/65/354584665.db2.gz YNEUFSYVELSWBW-MDZLAQPJSA-N 2 1 282.388 -0.243 20 0 CBADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529388951 354584768 /nfs/dbraw/zinc/58/47/68/354584768.db2.gz VDBARZDHEVIFIB-NEPJUHHUSA-N 2 1 270.377 -0.290 20 0 CBADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529388954 354585075 /nfs/dbraw/zinc/58/50/75/354585075.db2.gz VDBARZDHEVIFIB-NWDGAFQWSA-N 2 1 270.377 -0.290 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCNc2cc[nH+]cc2)C1 ZINC000534528775 354598318 /nfs/dbraw/zinc/59/83/18/354598318.db2.gz HOHXWIHHSUJNND-GFCCVEGCSA-N 2 1 264.329 -0.638 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCNc2cc[nH+]cc2)C1 ZINC000534528775 354598320 /nfs/dbraw/zinc/59/83/20/354598320.db2.gz HOHXWIHHSUJNND-GFCCVEGCSA-N 2 1 264.329 -0.638 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000546590482 354653682 /nfs/dbraw/zinc/65/36/82/354653682.db2.gz BXFBFWMGJTWCQE-DOMZBBRYSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000546590482 354653684 /nfs/dbraw/zinc/65/36/84/354653684.db2.gz BXFBFWMGJTWCQE-DOMZBBRYSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000546590482 354653685 /nfs/dbraw/zinc/65/36/85/354653685.db2.gz BXFBFWMGJTWCQE-DOMZBBRYSA-N 2 1 296.415 -0.164 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000547296323 354657511 /nfs/dbraw/zinc/65/75/11/354657511.db2.gz XIDABEJPAWDJOR-YDHLFZDLSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000547296323 354657513 /nfs/dbraw/zinc/65/75/13/354657513.db2.gz XIDABEJPAWDJOR-YDHLFZDLSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000547296323 354657517 /nfs/dbraw/zinc/65/75/17/354657517.db2.gz XIDABEJPAWDJOR-YDHLFZDLSA-N 2 1 296.415 -0.021 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000537567800 354610189 /nfs/dbraw/zinc/61/01/89/354610189.db2.gz YPAAMQCFTRONAG-QLFBSQMISA-N 2 1 285.432 -0.049 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)C(=O)NCC[NH+](C)C ZINC000556901332 354683722 /nfs/dbraw/zinc/68/37/22/354683722.db2.gz MMNRTAUUZIGFHU-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000557199006 354685285 /nfs/dbraw/zinc/68/52/85/354685285.db2.gz JNTHRLWDPQLBLO-LBPRGKRZSA-N 2 1 299.419 -0.554 20 0 CBADMP C[C@H]1CN(CCO)CCN1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000563034940 354692612 /nfs/dbraw/zinc/69/26/12/354692612.db2.gz DNWUYUHKZMWVHJ-STQMWFEESA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000563034940 354692617 /nfs/dbraw/zinc/69/26/17/354692617.db2.gz DNWUYUHKZMWVHJ-STQMWFEESA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000563034940 354692621 /nfs/dbraw/zinc/69/26/21/354692621.db2.gz DNWUYUHKZMWVHJ-STQMWFEESA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000563034940 354692627 /nfs/dbraw/zinc/69/26/27/354692627.db2.gz DNWUYUHKZMWVHJ-STQMWFEESA-N 2 1 296.415 -0.069 20 0 CBADMP [NH3+]CC1(CC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000563110037 354697541 /nfs/dbraw/zinc/69/75/41/354697541.db2.gz BJSDADLSEQMTKA-LBPRGKRZSA-N 2 1 294.399 -0.462 20 0 CBADMP C[N@@H+](C[C@H](O)CNC[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000563137262 354698095 /nfs/dbraw/zinc/69/80/95/354698095.db2.gz COLMGTXCXCXZCM-HUUCEWRRSA-N 2 1 285.432 -0.122 20 0 CBADMP CN(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563154258 354699658 /nfs/dbraw/zinc/69/96/58/354699658.db2.gz LJDQZUDYOPLYSZ-NSHDSACASA-N 2 1 255.362 -0.238 20 0 CBADMP CN(C)C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563154258 354699663 /nfs/dbraw/zinc/69/96/63/354699663.db2.gz LJDQZUDYOPLYSZ-NSHDSACASA-N 2 1 255.362 -0.238 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000563154630 354699759 /nfs/dbraw/zinc/69/97/59/354699759.db2.gz RKBOZVRUBVOKSS-RYUDHWBXSA-N 2 1 280.372 -0.140 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000563153678 354699790 /nfs/dbraw/zinc/69/97/90/354699790.db2.gz DMONATIIWCUNGD-OUAUKWLOSA-N 2 1 268.361 -0.109 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000564456792 354712828 /nfs/dbraw/zinc/71/28/28/354712828.db2.gz ORYCOFVIUXDVGQ-NWDGAFQWSA-N 2 1 282.388 -0.687 20 0 CBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000564824961 354717435 /nfs/dbraw/zinc/71/74/35/354717435.db2.gz MUOSTWVHFDSCQO-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000564798906 354717471 /nfs/dbraw/zinc/71/74/71/354717471.db2.gz AANAKAMOGZWTLE-NXEZZACHSA-N 2 1 270.377 -0.561 20 0 CBADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)N1CC[NH2+]CC1 ZINC000564988091 354725016 /nfs/dbraw/zinc/72/50/16/354725016.db2.gz FSEFRKLWZRPNNA-GFCCVEGCSA-N 3 1 254.378 -0.650 20 0 CBADMP C[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)N1CCNCC1 ZINC000564988091 354725017 /nfs/dbraw/zinc/72/50/17/354725017.db2.gz FSEFRKLWZRPNNA-GFCCVEGCSA-N 2 1 254.378 -0.650 20 0 CBADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)N1CCNCC1 ZINC000564988091 354725018 /nfs/dbraw/zinc/72/50/18/354725018.db2.gz FSEFRKLWZRPNNA-GFCCVEGCSA-N 2 1 254.378 -0.650 20 0 CBADMP C[NH+](C)[C@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1O ZINC000565170323 354730030 /nfs/dbraw/zinc/73/00/30/354730030.db2.gz IPVAXEUXKWZAJW-CRWXNKLISA-N 2 1 269.389 -0.544 20 0 CBADMP C[NH+](C)[C@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1O ZINC000565170323 354730034 /nfs/dbraw/zinc/73/00/34/354730034.db2.gz IPVAXEUXKWZAJW-CRWXNKLISA-N 2 1 269.389 -0.544 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000556359164 354678918 /nfs/dbraw/zinc/67/89/18/354678918.db2.gz AAZXDGOJHDEZPC-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000556359164 354678920 /nfs/dbraw/zinc/67/89/20/354678920.db2.gz AAZXDGOJHDEZPC-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000556359164 354678922 /nfs/dbraw/zinc/67/89/22/354678922.db2.gz AAZXDGOJHDEZPC-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000556359164 354678923 /nfs/dbraw/zinc/67/89/23/354678923.db2.gz AAZXDGOJHDEZPC-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000556359160 354679383 /nfs/dbraw/zinc/67/93/83/354679383.db2.gz AAZXDGOJHDEZPC-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000556359160 354679387 /nfs/dbraw/zinc/67/93/87/354679387.db2.gz AAZXDGOJHDEZPC-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000556359160 354679391 /nfs/dbraw/zinc/67/93/91/354679391.db2.gz AAZXDGOJHDEZPC-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000556359160 354679395 /nfs/dbraw/zinc/67/93/95/354679395.db2.gz AAZXDGOJHDEZPC-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC000565960062 354749918 /nfs/dbraw/zinc/74/99/18/354749918.db2.gz XIGPUBALPUDKHI-XQQFMLRXSA-N 2 1 291.351 -0.688 20 0 CBADMP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)[C@@H]2C1 ZINC000567582939 354790951 /nfs/dbraw/zinc/79/09/51/354790951.db2.gz DYVIFITXOVVMIH-RRFJBIMHSA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)[C@@H]2C1 ZINC000567582939 354790954 /nfs/dbraw/zinc/79/09/54/354790954.db2.gz DYVIFITXOVVMIH-RRFJBIMHSA-N 2 1 292.427 -0.071 20 0 CBADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)[C@@H]2C1 ZINC000567582939 354790957 /nfs/dbraw/zinc/79/09/57/354790957.db2.gz DYVIFITXOVVMIH-RRFJBIMHSA-N 2 1 292.427 -0.071 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000566190975 354756157 /nfs/dbraw/zinc/75/61/57/354756157.db2.gz MEUDGHYXJXHBOZ-UHFFFAOYSA-N 2 1 282.388 -0.510 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000566511616 354769759 /nfs/dbraw/zinc/76/97/59/354769759.db2.gz WTONFCMSXDFDTO-NHCYSSNCSA-N 2 1 280.372 -0.937 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000566621559 354771970 /nfs/dbraw/zinc/77/19/70/354771970.db2.gz GSQGPLGSJTZPNL-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@H](O)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000566792099 354774549 /nfs/dbraw/zinc/77/45/49/354774549.db2.gz KLVAUBSGPYSZHI-SDDRHHMPSA-N 2 1 257.378 -0.067 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000567096265 354780214 /nfs/dbraw/zinc/78/02/14/354780214.db2.gz LESFQKBCMYEMDS-BNOWGMLFSA-N 2 1 295.431 -0.247 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000567096267 354780697 /nfs/dbraw/zinc/78/06/97/354780697.db2.gz LESFQKBCMYEMDS-MRVWCRGKSA-N 2 1 295.431 -0.247 20 0 CBADMP C[C@@]1(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1 ZINC000567110360 354781611 /nfs/dbraw/zinc/78/16/11/354781611.db2.gz AROPHKQOHBZBJK-GXTWGEPZSA-N 3 1 268.405 -0.227 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000567353304 354785503 /nfs/dbraw/zinc/78/55/03/354785503.db2.gz LMSBPFJQGPIAFF-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000565373131 354737399 /nfs/dbraw/zinc/73/73/99/354737399.db2.gz NKZFOOOVADLCAL-LBPRGKRZSA-N 2 1 255.362 -0.035 20 0 CBADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000565412432 354738233 /nfs/dbraw/zinc/73/82/33/354738233.db2.gz KTWAKDLBBBFEEI-KGLIPLIRSA-N 2 1 295.431 -0.230 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000567880066 354802462 /nfs/dbraw/zinc/80/24/62/354802462.db2.gz AYQXOECRBOQTDD-YFKTTZPYSA-N 2 1 284.404 -0.173 20 0 CBADMP C[N@@H+](C[C@H](O)CN[C@H](CO)C[NH+]1CCCC1)C1CC1 ZINC000567874435 354802755 /nfs/dbraw/zinc/80/27/55/354802755.db2.gz NQLGCIYXCDVRNL-GXTWGEPZSA-N 2 1 271.405 -0.512 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000567973505 354806730 /nfs/dbraw/zinc/80/67/30/354806730.db2.gz KTWTXSRKTACFMC-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)[NH+](CCO)C[C@H]1C ZINC000568181147 354814518 /nfs/dbraw/zinc/81/45/18/354814518.db2.gz LXBCISCMXYWZGI-MJBXVCDLSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000568181147 354814520 /nfs/dbraw/zinc/81/45/20/354814520.db2.gz LXBCISCMXYWZGI-MJBXVCDLSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000568181147 354814522 /nfs/dbraw/zinc/81/45/22/354814522.db2.gz LXBCISCMXYWZGI-MJBXVCDLSA-N 2 1 273.421 -0.314 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000568270106 354819437 /nfs/dbraw/zinc/81/94/37/354819437.db2.gz PFQHLVFBZGLVKW-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000568270106 354819440 /nfs/dbraw/zinc/81/94/40/354819440.db2.gz PFQHLVFBZGLVKW-ZDUSSCGKSA-N 3 1 268.405 -0.308 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000568270106 354819443 /nfs/dbraw/zinc/81/94/43/354819443.db2.gz PFQHLVFBZGLVKW-ZDUSSCGKSA-N 3 1 268.405 -0.308 20 0 CBADMP C[C@H]1[NH2+]CCN(CCC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000568271041 354820215 /nfs/dbraw/zinc/82/02/15/354820215.db2.gz TWERVASSCXGKBS-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000568389416 354822569 /nfs/dbraw/zinc/82/25/69/354822569.db2.gz IMSNPQPVWFWHBB-JQWIXIFHSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)N1CC[NH+](C)CC1 ZINC000568514771 354826276 /nfs/dbraw/zinc/82/62/76/354826276.db2.gz SJWRFWOKLMMKPE-UWVGGRQHSA-N 2 1 278.347 -0.279 20 0 CBADMP C[C@@H](C(=O)N[C@H](CC[NH3+])C(F)F)N1CC[NH+](C)CC1 ZINC000568514772 354826525 /nfs/dbraw/zinc/82/65/25/354826525.db2.gz SJWRFWOKLMMKPE-VHSXEESVSA-N 2 1 278.347 -0.279 20 0 CBADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000568609409 354827378 /nfs/dbraw/zinc/82/73/78/354827378.db2.gz YPIAKEBOFPRJPJ-STQMWFEESA-N 2 1 283.420 -0.374 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CNC(=O)C[NH3+])C1 ZINC000568746266 354830719 /nfs/dbraw/zinc/83/07/19/354830719.db2.gz LPJXMTREMFAJMT-FRRDWIJNSA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000567717628 354794749 /nfs/dbraw/zinc/79/47/49/354794749.db2.gz XJBOYPKXBBAPQN-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000567753752 354796435 /nfs/dbraw/zinc/79/64/35/354796435.db2.gz FPKWTZLCLJELRG-WDEREUQCSA-N 2 1 276.340 -0.161 20 0 CBADMP Cc1ccc(O)c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000567753752 354796437 /nfs/dbraw/zinc/79/64/37/354796437.db2.gz FPKWTZLCLJELRG-WDEREUQCSA-N 2 1 276.340 -0.161 20 0 CBADMP NC(=O)CC[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000570710417 354867644 /nfs/dbraw/zinc/86/76/44/354867644.db2.gz ZIMSVMQREWDJIR-SNVBAGLBSA-N 2 1 256.350 -0.961 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000570825169 354870424 /nfs/dbraw/zinc/87/04/24/354870424.db2.gz YNTUNPUYAZCUFF-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000570912895 354872691 /nfs/dbraw/zinc/87/26/91/354872691.db2.gz MTCJKXYYUDSWQF-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP CCOC(=O)CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000570928696 354873053 /nfs/dbraw/zinc/87/30/53/354873053.db2.gz MRHPEJMQAIFFFV-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CC[NH+](C)CC1 ZINC000571683544 354878098 /nfs/dbraw/zinc/87/80/98/354878098.db2.gz SUUSAPSZEUDOLB-HZSPNIEDSA-N 2 1 280.416 -0.167 20 0 CBADMP CNC(=O)[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000569223282 354839994 /nfs/dbraw/zinc/83/99/94/354839994.db2.gz WHLFIXGQZSSTSE-LBPRGKRZSA-N 2 1 255.362 -0.177 20 0 CBADMP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000569327503 354841870 /nfs/dbraw/zinc/84/18/70/354841870.db2.gz RRLAMFFDTRSJDC-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP COC(=O)C(C)(C)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569260937 354841920 /nfs/dbraw/zinc/84/19/20/354841920.db2.gz WWYLVFANUYPUFK-GHMZBOCLSA-N 2 1 283.372 -0.181 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1)S(C)(=O)=O ZINC000569811291 354847466 /nfs/dbraw/zinc/84/74/66/354847466.db2.gz QLTRMGHLFFDNJL-LBPRGKRZSA-N 2 1 293.433 -0.435 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000569844852 354848311 /nfs/dbraw/zinc/84/83/11/354848311.db2.gz BVAFHRZNSLBNNL-STQMWFEESA-N 2 1 296.415 -0.003 20 0 CBADMP COC(=O)C[C@H](N)C(=O)N[C@H](C)Cn1ccnc1 ZINC000569924384 354849524 /nfs/dbraw/zinc/84/95/24/354849524.db2.gz WVORATKKHMQVEU-BDAKNGLRSA-N 2 1 254.290 -0.722 20 0 CBADMP CCOC[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000569960522 354850570 /nfs/dbraw/zinc/85/05/70/354850570.db2.gz KQPQTRHSJJFPGF-QWHCGFSZSA-N 2 1 287.404 -0.439 20 0 CBADMP CN(C)C(=O)CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000569972788 354851316 /nfs/dbraw/zinc/85/13/16/354851316.db2.gz VYBFEOISCAETEY-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000569969944 354851562 /nfs/dbraw/zinc/85/15/62/354851562.db2.gz NZXMAEYTCUYBSG-YPMHNXCESA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)c1cnn(C)c1 ZINC000570330785 354859419 /nfs/dbraw/zinc/85/94/19/354859419.db2.gz MXESUIRFBDGQOE-UWVGGRQHSA-N 2 1 287.314 -0.206 20 0 CBADMP CCN(C)C(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570345006 354860547 /nfs/dbraw/zinc/86/05/47/354860547.db2.gz COVCZTFRHOQGPY-QWRGUYRKSA-N 2 1 268.361 -0.901 20 0 CBADMP CCN(C)C(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570345006 354860549 /nfs/dbraw/zinc/86/05/49/354860549.db2.gz COVCZTFRHOQGPY-QWRGUYRKSA-N 2 1 268.361 -0.901 20 0 CBADMP Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000570437790 354862002 /nfs/dbraw/zinc/86/20/02/354862002.db2.gz CASAUAQIHQCGSW-DGCLKSJQSA-N 2 1 279.388 -0.054 20 0 CBADMP Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000570437790 354862003 /nfs/dbraw/zinc/86/20/03/354862003.db2.gz CASAUAQIHQCGSW-DGCLKSJQSA-N 2 1 279.388 -0.054 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000570440302 354862099 /nfs/dbraw/zinc/86/20/99/354862099.db2.gz GHEHFYYUPDTAIG-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000570635387 354866106 /nfs/dbraw/zinc/86/61/06/354866106.db2.gz FOYBWQOBLDYKHY-UHFFFAOYSA-N 2 1 256.350 -0.996 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000572611984 354894474 /nfs/dbraw/zinc/89/44/74/354894474.db2.gz FCYHPNCCXWRRBQ-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000572611984 354894475 /nfs/dbraw/zinc/89/44/75/354894475.db2.gz FCYHPNCCXWRRBQ-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H]1C[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C[N@H+]1C1CC1 ZINC000572719347 354895844 /nfs/dbraw/zinc/89/58/44/354895844.db2.gz XFMFUGZKYVOQRB-QWRGUYRKSA-N 2 1 292.387 -0.018 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000572768900 354897185 /nfs/dbraw/zinc/89/71/85/354897185.db2.gz KOKNGPIANFVKLN-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP c1cnc(N[C@@H]2CC[N@H+](CCN3CC[NH2+]CC3)C2)nc1 ZINC000573091739 354904737 /nfs/dbraw/zinc/90/47/37/354904737.db2.gz UEOWWXOHOYCYMR-CYBMUJFWSA-N 2 1 276.388 -0.132 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000573124286 354905800 /nfs/dbraw/zinc/90/58/00/354905800.db2.gz YJGVZIMWZMDOAQ-DCAQKATOSA-N 2 1 269.345 -0.380 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000573124286 354905804 /nfs/dbraw/zinc/90/58/04/354905804.db2.gz YJGVZIMWZMDOAQ-DCAQKATOSA-N 2 1 269.345 -0.380 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000573189983 354906857 /nfs/dbraw/zinc/90/68/57/354906857.db2.gz MYBACZBQFPENKM-KGLIPLIRSA-N 2 1 297.447 -0.079 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000573217026 354907599 /nfs/dbraw/zinc/90/75/99/354907599.db2.gz XRGKGWDAQXBKPP-MWLCHTKSSA-N 2 1 266.345 -0.604 20 0 CBADMP COC(=O)[C@H]1CN(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000573220103 354908332 /nfs/dbraw/zinc/90/83/32/354908332.db2.gz YBUJLXSTYAOMHD-OLZOCXBDSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C[NH+]2CC[C@@H](C)C2)CC[N@@H+](C)C1 ZINC000573220103 354908338 /nfs/dbraw/zinc/90/83/38/354908338.db2.gz YBUJLXSTYAOMHD-OLZOCXBDSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC[NH+](C)C1 ZINC000573220103 354908339 /nfs/dbraw/zinc/90/83/39/354908339.db2.gz YBUJLXSTYAOMHD-OLZOCXBDSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC[NH+](C)C1 ZINC000573220103 354908342 /nfs/dbraw/zinc/90/83/42/354908342.db2.gz YBUJLXSTYAOMHD-OLZOCXBDSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000573337212 354910261 /nfs/dbraw/zinc/91/02/61/354910261.db2.gz JTSXSPQYAPVWKT-PWSUYJOCSA-N 2 1 294.355 -0.048 20 0 CBADMP COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000573337212 354910263 /nfs/dbraw/zinc/91/02/63/354910263.db2.gz JTSXSPQYAPVWKT-PWSUYJOCSA-N 2 1 294.355 -0.048 20 0 CBADMP COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000573337212 354910265 /nfs/dbraw/zinc/91/02/65/354910265.db2.gz JTSXSPQYAPVWKT-PWSUYJOCSA-N 2 1 294.355 -0.048 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000573442812 354913193 /nfs/dbraw/zinc/91/31/93/354913193.db2.gz PPCOJOFNXHQTMP-SNVBAGLBSA-N 2 1 257.334 -0.569 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000573507451 354914933 /nfs/dbraw/zinc/91/49/33/354914933.db2.gz YRVBNFHBNCKCKP-SRVKXCTJSA-N 2 1 280.372 -0.793 20 0 CBADMP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000573819654 354921856 /nfs/dbraw/zinc/92/18/56/354921856.db2.gz CHUHKXMBTDSTNN-NEPJUHHUSA-N 2 1 269.393 -0.717 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)[C@@H]2C1 ZINC000332291529 283062344 /nfs/dbraw/zinc/06/23/44/283062344.db2.gz TVDPMYKGDJORLF-JHJVBQTASA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000573864608 354924352 /nfs/dbraw/zinc/92/43/52/354924352.db2.gz RNMUARUDDYYJMU-OUAUKWLOSA-N 2 1 280.372 -0.794 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000578194406 354941236 /nfs/dbraw/zinc/94/12/36/354941236.db2.gz XXVPLWNOVLECCG-SDDRHHMPSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000578194406 354941238 /nfs/dbraw/zinc/94/12/38/354941238.db2.gz XXVPLWNOVLECCG-SDDRHHMPSA-N 2 1 283.372 -0.181 20 0 CBADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000578490292 354946844 /nfs/dbraw/zinc/94/68/44/354946844.db2.gz VUPGYSQSXPNJQG-NNYUYHANSA-N 2 1 252.362 -0.060 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000578533433 354948623 /nfs/dbraw/zinc/94/86/23/354948623.db2.gz LUXIXQPIIOYNQU-LLVKDONJSA-N 2 1 255.362 -0.190 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000578533433 354948626 /nfs/dbraw/zinc/94/86/26/354948626.db2.gz LUXIXQPIIOYNQU-LLVKDONJSA-N 2 1 255.362 -0.190 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000578670668 354952766 /nfs/dbraw/zinc/95/27/66/354952766.db2.gz VNAMQLIKFBFFGC-UTUOFQBUSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000578670668 354952769 /nfs/dbraw/zinc/95/27/69/354952769.db2.gz VNAMQLIKFBFFGC-UTUOFQBUSA-N 2 1 282.388 -0.594 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000578988201 354959242 /nfs/dbraw/zinc/95/92/42/354959242.db2.gz RHCDYIDSFMEWRB-MNOVXSKESA-N 2 1 263.407 -0.015 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000578988201 354959244 /nfs/dbraw/zinc/95/92/44/354959244.db2.gz RHCDYIDSFMEWRB-MNOVXSKESA-N 2 1 263.407 -0.015 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000573724098 354919498 /nfs/dbraw/zinc/91/94/98/354919498.db2.gz QJQNVIPDWCXUPC-NEPJUHHUSA-N 2 1 254.378 -0.510 20 0 CBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000580942753 355001956 /nfs/dbraw/zinc/00/19/56/355001956.db2.gz ZYJUPBBEJCFBOZ-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@H]1[NH3+] ZINC000579109846 354961910 /nfs/dbraw/zinc/96/19/10/354961910.db2.gz RBEKXRRXEOJBCD-WCQYABFASA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000579256940 354967324 /nfs/dbraw/zinc/96/73/24/354967324.db2.gz LAJHSSSIZJKWAB-GXTWGEPZSA-N 2 1 267.373 -0.347 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC000579373084 354968787 /nfs/dbraw/zinc/96/87/87/354968787.db2.gz WNESKQWNPFEANQ-AWEZNQCLSA-N 2 1 295.387 -0.759 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000579490672 354972377 /nfs/dbraw/zinc/97/23/77/354972377.db2.gz DDVGENQYJVGRTO-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000579490672 354972380 /nfs/dbraw/zinc/97/23/80/354972380.db2.gz DDVGENQYJVGRTO-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000579490672 354972382 /nfs/dbraw/zinc/97/23/82/354972382.db2.gz DDVGENQYJVGRTO-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000579592467 354974532 /nfs/dbraw/zinc/97/45/32/354974532.db2.gz UVTGGYLUVSWHGA-ZJUUUORDSA-N 2 1 281.360 -0.450 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000579592465 354974991 /nfs/dbraw/zinc/97/49/91/354974991.db2.gz UVTGGYLUVSWHGA-UWVGGRQHSA-N 2 1 281.360 -0.450 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000579692521 354976341 /nfs/dbraw/zinc/97/63/41/354976341.db2.gz GAGOHXHEUXZHLD-CMPLNLGQSA-N 2 1 280.372 -0.983 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCC(C(=O)NC)CC1 ZINC000579727317 354977342 /nfs/dbraw/zinc/97/73/42/354977342.db2.gz FQDCMRAPYZMQSI-LBPRGKRZSA-N 2 1 257.378 -0.243 20 0 CBADMP CCN(C)C[C@H](O)C[NH+]1CCC(C(=O)NC)CC1 ZINC000579727317 354977346 /nfs/dbraw/zinc/97/73/46/354977346.db2.gz FQDCMRAPYZMQSI-LBPRGKRZSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCN2CCOCC2)C1 ZINC000579866222 354982471 /nfs/dbraw/zinc/98/24/71/354982471.db2.gz ZBXNFCSPDXMUNH-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000579942945 354983106 /nfs/dbraw/zinc/98/31/06/354983106.db2.gz XLNYSSGKZSFJSF-GHMZBOCLSA-N 2 1 265.361 -0.252 20 0 CBADMP C[C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CC[NH+](C)CC1 ZINC000581012801 355003434 /nfs/dbraw/zinc/00/34/34/355003434.db2.gz VPXNITHJOXJSBT-ZFWWWQNUSA-N 2 1 280.416 -0.166 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000580315622 354993072 /nfs/dbraw/zinc/99/30/72/354993072.db2.gz LKKUGBCDXNHSCF-BETUJISGSA-N 2 1 268.405 -0.133 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000580950113 355001767 /nfs/dbraw/zinc/00/17/67/355001767.db2.gz HJFKNHPHEQLUKT-LLVKDONJSA-N 2 1 296.375 -0.923 20 0 CBADMP COCC[NH2+]CC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000584350062 355030111 /nfs/dbraw/zinc/03/01/11/355030111.db2.gz KXRHHQOLUJJLSI-UHFFFAOYSA-N 2 1 298.431 -0.445 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000584514271 355030933 /nfs/dbraw/zinc/03/09/33/355030933.db2.gz VYMLWTPRXUJBNS-CYBMUJFWSA-N 2 1 266.389 -0.415 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000584514271 355030936 /nfs/dbraw/zinc/03/09/36/355030936.db2.gz VYMLWTPRXUJBNS-CYBMUJFWSA-N 2 1 266.389 -0.415 20 0 CBADMP CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000584519392 355031347 /nfs/dbraw/zinc/03/13/47/355031347.db2.gz HMVKFYNNQVCAMP-AAEUAGOBSA-N 2 1 281.404 -0.493 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000584604263 355033636 /nfs/dbraw/zinc/03/36/36/355033636.db2.gz HQLWDHBTMYFYCF-SDDRHHMPSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000584604263 355033639 /nfs/dbraw/zinc/03/36/39/355033639.db2.gz HQLWDHBTMYFYCF-SDDRHHMPSA-N 2 1 283.372 -0.181 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000581368353 355005094 /nfs/dbraw/zinc/00/50/94/355005094.db2.gz BYYATIQTIULSKF-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000581365268 355005668 /nfs/dbraw/zinc/00/56/68/355005668.db2.gz KVXYUJROFVDNBB-CVEARBPZSA-N 3 1 298.475 -0.084 20 0 CBADMP CN1CCN(C[C@@H](O)C[NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000581365268 355005670 /nfs/dbraw/zinc/00/56/70/355005670.db2.gz KVXYUJROFVDNBB-CVEARBPZSA-N 2 1 298.475 -0.084 20 0 CBADMP CN1CCN(C[C@@H](O)C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000581365268 355005672 /nfs/dbraw/zinc/00/56/72/355005672.db2.gz KVXYUJROFVDNBB-CVEARBPZSA-N 2 1 298.475 -0.084 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000582073161 355007471 /nfs/dbraw/zinc/00/74/71/355007471.db2.gz UXJICUOTBMHAJY-STQMWFEESA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000582350471 355014087 /nfs/dbraw/zinc/01/40/87/355014087.db2.gz FBIMBNVEMSXPSZ-NEPJUHHUSA-N 2 1 294.399 -0.450 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000582428162 355016691 /nfs/dbraw/zinc/01/66/91/355016691.db2.gz BPAVYDWXOSKMJT-VNHYZAJKSA-N 2 1 299.415 -0.428 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000582428162 355016694 /nfs/dbraw/zinc/01/66/94/355016694.db2.gz BPAVYDWXOSKMJT-VNHYZAJKSA-N 2 1 299.415 -0.428 20 0 CBADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC000375018750 283071462 /nfs/dbraw/zinc/07/14/62/283071462.db2.gz JYHCRYYAKFTAJK-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC000375018750 283071465 /nfs/dbraw/zinc/07/14/65/283071465.db2.gz JYHCRYYAKFTAJK-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC000375018750 283071469 /nfs/dbraw/zinc/07/14/69/283071469.db2.gz JYHCRYYAKFTAJK-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC000375018750 283071473 /nfs/dbraw/zinc/07/14/73/283071473.db2.gz JYHCRYYAKFTAJK-AGIUHOORSA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@H]([NH3+])C(C)C)c1cnn(C)c1 ZINC000583692062 355022604 /nfs/dbraw/zinc/02/26/04/355022604.db2.gz CGXLBEPASOFNTJ-QWRGUYRKSA-N 2 1 253.350 -0.220 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC000424179895 283072649 /nfs/dbraw/zinc/07/26/49/283072649.db2.gz ZLDXBPAYSJFYPM-IJLUTSLNSA-N 2 1 253.346 -0.473 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCO3)[C@H]2C1 ZINC000424179893 283072685 /nfs/dbraw/zinc/07/26/85/283072685.db2.gz ZLDXBPAYSJFYPM-GRYCIOLGSA-N 2 1 253.346 -0.473 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000588975167 355063748 /nfs/dbraw/zinc/06/37/48/355063748.db2.gz FWSWJELQLRKSQA-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000588975167 355063751 /nfs/dbraw/zinc/06/37/51/355063751.db2.gz FWSWJELQLRKSQA-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000588975167 355063754 /nfs/dbraw/zinc/06/37/54/355063754.db2.gz FWSWJELQLRKSQA-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000591726703 355110898 /nfs/dbraw/zinc/11/08/98/355110898.db2.gz GTBZPNHQIMURDQ-LBPRGKRZSA-N 2 1 282.388 -0.782 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000591726703 355110903 /nfs/dbraw/zinc/11/09/03/355110903.db2.gz GTBZPNHQIMURDQ-LBPRGKRZSA-N 2 1 282.388 -0.782 20 0 CBADMP COCCN(CC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591865379 355114174 /nfs/dbraw/zinc/11/41/74/355114174.db2.gz WWVLBYLFIVCNFN-LBPRGKRZSA-N 2 1 257.378 -0.025 20 0 CBADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000591427684 355095556 /nfs/dbraw/zinc/09/55/56/355095556.db2.gz JSEFJGIDXHNKLH-LBPRGKRZSA-N 2 1 282.388 -0.830 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000592561613 355164636 /nfs/dbraw/zinc/16/46/36/355164636.db2.gz FYGPLGTULSVKNS-CIQGVGRVSA-N 2 1 295.383 -0.452 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)COCC[NH3+])[C@@H](C)C1 ZINC000592277473 355146315 /nfs/dbraw/zinc/14/63/15/355146315.db2.gz VVRXYQHVIFKFDF-NSHDSACASA-N 2 1 287.360 -0.943 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)COCC[NH3+])[C@@H](C)C1 ZINC000592277473 355146317 /nfs/dbraw/zinc/14/63/17/355146317.db2.gz VVRXYQHVIFKFDF-NSHDSACASA-N 2 1 287.360 -0.943 20 0 CBADMP COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000592495584 355158449 /nfs/dbraw/zinc/15/84/49/355158449.db2.gz MOQSKUGIENLOAR-GHMZBOCLSA-N 2 1 279.344 -0.079 20 0 CBADMP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[N@@H+](C)C(C)C ZINC000592962412 355187464 /nfs/dbraw/zinc/18/74/64/355187464.db2.gz FCNAMSGDFCDCLB-LLVKDONJSA-N 2 1 271.361 -0.310 20 0 CBADMP COC(=O)[C@H]1C[NH2+]CCCN1CCC[NH+]1CCOCC1 ZINC000592984075 355188796 /nfs/dbraw/zinc/18/87/96/355188796.db2.gz GRXUKDYQWYQWFB-CYBMUJFWSA-N 2 1 285.388 -0.454 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000594186034 355237754 /nfs/dbraw/zinc/23/77/54/355237754.db2.gz IANHWVXDQHAVNQ-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP COCC(C)(C)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594739788 355259131 /nfs/dbraw/zinc/25/91/31/355259131.db2.gz VEYLPKGODFFZFS-QWRGUYRKSA-N 2 1 255.362 -0.097 20 0 CBADMP Cc1cc(C)n(CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000594875036 355266127 /nfs/dbraw/zinc/26/61/27/355266127.db2.gz KRPRUXNPVAPMMZ-STQMWFEESA-N 2 1 277.372 -0.256 20 0 CBADMP Cc1cc(C)n(CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000594875036 355266131 /nfs/dbraw/zinc/26/61/31/355266131.db2.gz KRPRUXNPVAPMMZ-STQMWFEESA-N 2 1 277.372 -0.256 20 0 CBADMP CC(C)COCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594876215 355266718 /nfs/dbraw/zinc/26/67/18/355266718.db2.gz JRNJPYCMJSNFBH-RYUDHWBXSA-N 2 1 255.362 -0.097 20 0 CBADMP CC(C)COCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594876215 355266720 /nfs/dbraw/zinc/26/67/20/355266720.db2.gz JRNJPYCMJSNFBH-RYUDHWBXSA-N 2 1 255.362 -0.097 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000594943444 355269919 /nfs/dbraw/zinc/26/99/19/355269919.db2.gz DWUXHOBXWCUMGW-UZWSLXQKSA-N 2 1 256.346 -0.160 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000594943444 355269921 /nfs/dbraw/zinc/26/99/21/355269921.db2.gz DWUXHOBXWCUMGW-UZWSLXQKSA-N 2 1 256.346 -0.160 20 0 CBADMP NC(=O)NC(=O)CCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595868550 355312700 /nfs/dbraw/zinc/31/27/00/355312700.db2.gz PUDNUUKDCRTFRL-LBPRGKRZSA-N 2 1 298.387 -0.508 20 0 CBADMP NC(=O)NC(=O)CCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595868550 355312702 /nfs/dbraw/zinc/31/27/02/355312702.db2.gz PUDNUUKDCRTFRL-LBPRGKRZSA-N 2 1 298.387 -0.508 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2C[C@@H](C[NH3+])C[C@H]2C)C1=O ZINC000595890172 355314307 /nfs/dbraw/zinc/31/43/07/355314307.db2.gz YYXAJOKQXZPBSU-UTUOFQBUSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1=O ZINC000595894634 355315327 /nfs/dbraw/zinc/31/53/27/355315327.db2.gz VBBAWMCLLLDIDT-WOPDTQHZSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1=O ZINC000595894634 355315331 /nfs/dbraw/zinc/31/53/31/355315331.db2.gz VBBAWMCLLLDIDT-WOPDTQHZSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000595895749 355315797 /nfs/dbraw/zinc/31/57/97/355315797.db2.gz UKBZZVPXWRVOQM-RISCZKNCSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000595895749 355315798 /nfs/dbraw/zinc/31/57/98/355315798.db2.gz UKBZZVPXWRVOQM-RISCZKNCSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC000595905921 355317718 /nfs/dbraw/zinc/31/77/18/355317718.db2.gz XXTGIWSKDBTGBO-QWHCGFSZSA-N 2 1 297.399 -0.061 20 0 CBADMP C[NH+](C)CCC[C@H]1C[N@H+](CCC(=O)NC(N)=O)CCO1 ZINC000595904524 355317901 /nfs/dbraw/zinc/31/79/01/355317901.db2.gz FCZLKCSEFMGIDC-NSHDSACASA-N 2 1 286.376 -0.386 20 0 CBADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCC(=O)NC(N)=O)CCO1 ZINC000595904524 355317902 /nfs/dbraw/zinc/31/79/02/355317902.db2.gz FCZLKCSEFMGIDC-NSHDSACASA-N 2 1 286.376 -0.386 20 0 CBADMP CCOC(=O)C12CC(C1)C[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000595904279 355317931 /nfs/dbraw/zinc/31/79/31/355317931.db2.gz CBWSGXBWHAZXMW-UHFFFAOYSA-N 2 1 295.383 -0.164 20 0 CBADMP CCOC(=O)C12CC(C1)C[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000595904279 355317933 /nfs/dbraw/zinc/31/79/33/355317933.db2.gz CBWSGXBWHAZXMW-UHFFFAOYSA-N 2 1 295.383 -0.164 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420317620 291064969 /nfs/dbraw/zinc/06/49/69/291064969.db2.gz ZQXVVDSGACSNAA-QWRGUYRKSA-N 2 1 271.361 -0.323 20 0 CBADMP CCn1cc(CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000598682057 355449963 /nfs/dbraw/zinc/44/99/63/355449963.db2.gz LCXVMTPCMAJKHY-CHWSQXEVSA-N 2 1 277.372 -0.311 20 0 CBADMP CCn1cc(CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000598682057 355449964 /nfs/dbraw/zinc/44/99/64/355449964.db2.gz LCXVMTPCMAJKHY-CHWSQXEVSA-N 2 1 277.372 -0.311 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598680448 355450075 /nfs/dbraw/zinc/45/00/75/355450075.db2.gz BVCPOCNNUUOFNX-RISCZKNCSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598680448 355450077 /nfs/dbraw/zinc/45/00/77/355450077.db2.gz BVCPOCNNUUOFNX-RISCZKNCSA-N 2 1 283.372 -0.179 20 0 CBADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000346314749 283105229 /nfs/dbraw/zinc/10/52/29/283105229.db2.gz HWBIHPAKMHHVJS-GXTWGEPZSA-N 2 1 267.373 -0.129 20 0 CBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000346314749 283105234 /nfs/dbraw/zinc/10/52/34/283105234.db2.gz HWBIHPAKMHHVJS-GXTWGEPZSA-N 2 1 267.373 -0.129 20 0 CBADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000346314749 283105237 /nfs/dbraw/zinc/10/52/37/283105237.db2.gz HWBIHPAKMHHVJS-GXTWGEPZSA-N 2 1 267.373 -0.129 20 0 CBADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000346314749 283105243 /nfs/dbraw/zinc/10/52/43/283105243.db2.gz HWBIHPAKMHHVJS-GXTWGEPZSA-N 2 1 267.373 -0.129 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000601269991 355583069 /nfs/dbraw/zinc/58/30/69/355583069.db2.gz JERJPFGYESBDKR-OLZOCXBDSA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000601269991 355583073 /nfs/dbraw/zinc/58/30/73/355583073.db2.gz JERJPFGYESBDKR-OLZOCXBDSA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000601269991 355583077 /nfs/dbraw/zinc/58/30/77/355583077.db2.gz JERJPFGYESBDKR-OLZOCXBDSA-N 2 1 283.420 -0.374 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@H+](C[C@@H]3CCCCO3)CCN2C1=O ZINC000601326936 355586895 /nfs/dbraw/zinc/58/68/95/355586895.db2.gz XXHYOUDGBFITRT-SDDRHHMPSA-N 2 1 253.346 -0.201 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](C[C@@H]3CCCCO3)CCN2C1=O ZINC000601326936 355586898 /nfs/dbraw/zinc/58/68/98/355586898.db2.gz XXHYOUDGBFITRT-SDDRHHMPSA-N 2 1 253.346 -0.201 20 0 CBADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH2+]C ZINC000600729363 355563237 /nfs/dbraw/zinc/56/32/37/355563237.db2.gz FLRQPBZLNVFWHQ-SNVBAGLBSA-N 2 1 274.365 -0.612 20 0 CBADMP COC(=O)CCN1CC[C@@H]([N@@H+](C)CCOCC[NH3+])C1=O ZINC000600742464 355563564 /nfs/dbraw/zinc/56/35/64/355563564.db2.gz WGGZHQMLWOQPSB-LLVKDONJSA-N 2 1 287.360 -0.943 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)NC(=O)NC1CC1 ZINC000600731859 355563953 /nfs/dbraw/zinc/56/39/53/355563953.db2.gz VZZYEFQVEMEJCI-UHFFFAOYSA-N 2 1 272.349 -0.858 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)NC(=O)NC1CC1 ZINC000600731859 355563955 /nfs/dbraw/zinc/56/39/55/355563955.db2.gz VZZYEFQVEMEJCI-UHFFFAOYSA-N 2 1 272.349 -0.858 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000600732174 355564391 /nfs/dbraw/zinc/56/43/91/355564391.db2.gz XSUGOTIWAGWJDK-JTQLQIEISA-N 2 1 286.376 -0.469 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)NC(=O)NC(C)(C)C ZINC000600731201 355564446 /nfs/dbraw/zinc/56/44/46/355564446.db2.gz PQTKDHBIXOIABW-UHFFFAOYSA-N 2 1 288.392 -0.222 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)NC(=O)NC(C)(C)C ZINC000600731201 355564448 /nfs/dbraw/zinc/56/44/48/355564448.db2.gz PQTKDHBIXOIABW-UHFFFAOYSA-N 2 1 288.392 -0.222 20 0 CBADMP C[NH+](C)CCn1cc(NC(=O)CN2CC[NH+](C)CC2)cn1 ZINC000600979085 355573405 /nfs/dbraw/zinc/57/34/05/355573405.db2.gz UHPGGMSFPKROHH-UHFFFAOYSA-N 2 1 294.403 -0.369 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCC[NH+](C)C ZINC000601208729 355580142 /nfs/dbraw/zinc/58/01/42/355580142.db2.gz ZTZCSUVMPQXPCF-GFCCVEGCSA-N 2 1 271.409 -0.517 20 0 CBADMP COC(=O)CNC(=O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000602752112 355670428 /nfs/dbraw/zinc/67/04/28/355670428.db2.gz XFDPOBHDPYZLRJ-UHFFFAOYSA-N 2 1 283.372 -0.260 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000602523738 355657332 /nfs/dbraw/zinc/65/73/32/355657332.db2.gz HOMLNXIZMNOHKD-WOPDTQHZSA-N 2 1 280.372 -0.901 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000602523707 355657410 /nfs/dbraw/zinc/65/74/10/355657410.db2.gz HMJKDVSWWDUIJT-UTUOFQBUSA-N 2 1 280.372 -0.759 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[N@H+]1C ZINC000602525148 355657449 /nfs/dbraw/zinc/65/74/49/355657449.db2.gz MYIGENHSSFIGML-MROQNXINSA-N 2 1 294.399 -0.513 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000602749894 355669447 /nfs/dbraw/zinc/66/94/47/355669447.db2.gz LMYLOLQELNHPGK-MNOVXSKESA-N 2 1 269.345 -0.508 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000602749894 355669451 /nfs/dbraw/zinc/66/94/51/355669451.db2.gz LMYLOLQELNHPGK-MNOVXSKESA-N 2 1 269.345 -0.508 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000602749896 355669837 /nfs/dbraw/zinc/66/98/37/355669837.db2.gz LMYLOLQELNHPGK-WDEREUQCSA-N 2 1 269.345 -0.508 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000602749896 355669840 /nfs/dbraw/zinc/66/98/40/355669840.db2.gz LMYLOLQELNHPGK-WDEREUQCSA-N 2 1 269.345 -0.508 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+](C)C1 ZINC000602164645 355636861 /nfs/dbraw/zinc/63/68/61/355636861.db2.gz VZCOGJVIEKJJHX-QWHCGFSZSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+](C)C1 ZINC000602164645 355636866 /nfs/dbraw/zinc/63/68/66/355636866.db2.gz VZCOGJVIEKJJHX-QWHCGFSZSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+](C)C1 ZINC000602164645 355636871 /nfs/dbraw/zinc/63/68/71/355636871.db2.gz VZCOGJVIEKJJHX-QWHCGFSZSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[N@@H+](C)C1 ZINC000602165384 355637291 /nfs/dbraw/zinc/63/72/91/355637291.db2.gz ZXTTZOUDVPPMMO-GFCCVEGCSA-N 2 1 297.399 -0.109 20 0 CBADMP C[NH+]1CCN(CC(=O)NCC[NH2+]C(C)(C)C)CC1 ZINC000608376320 355759064 /nfs/dbraw/zinc/75/90/64/355759064.db2.gz QHMZIEBBHAYFEZ-UHFFFAOYSA-N 2 1 256.394 -0.262 20 0 CBADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000604751981 355729172 /nfs/dbraw/zinc/72/91/72/355729172.db2.gz MMFDJQMKKFFHRL-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000604751981 355729174 /nfs/dbraw/zinc/72/91/74/355729174.db2.gz MMFDJQMKKFFHRL-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000604751981 355729178 /nfs/dbraw/zinc/72/91/78/355729178.db2.gz MMFDJQMKKFFHRL-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000604751981 355729182 /nfs/dbraw/zinc/72/91/82/355729182.db2.gz MMFDJQMKKFFHRL-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612972015 355858562 /nfs/dbraw/zinc/85/85/62/355858562.db2.gz RFRAAMXDXJUWQI-STQMWFEESA-N 2 1 295.431 -0.327 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000612979702 355858755 /nfs/dbraw/zinc/85/87/55/355858755.db2.gz IYHUHPFGBZTFOO-RISCZKNCSA-N 2 1 282.388 -0.506 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000614068454 355933804 /nfs/dbraw/zinc/93/38/04/355933804.db2.gz NJTBZRNDUHZPSQ-OCCSQVGLSA-N 2 1 269.389 -0.004 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)CC2 ZINC000614848046 355990509 /nfs/dbraw/zinc/99/05/09/355990509.db2.gz OILMYBADMMCCPO-RYUDHWBXSA-N 2 1 280.372 -0.207 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000614505408 355964079 /nfs/dbraw/zinc/96/40/79/355964079.db2.gz NNGXZUPNCPARJG-QWHCGFSZSA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000614505408 355964081 /nfs/dbraw/zinc/96/40/81/355964081.db2.gz NNGXZUPNCPARJG-QWHCGFSZSA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000614505408 355964084 /nfs/dbraw/zinc/96/40/84/355964084.db2.gz NNGXZUPNCPARJG-QWHCGFSZSA-N 2 1 266.389 -0.556 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000614506873 355965290 /nfs/dbraw/zinc/96/52/90/355965290.db2.gz JYAWMFGTFXCUGL-STQMWFEESA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614506873 355965295 /nfs/dbraw/zinc/96/52/95/355965295.db2.gz JYAWMFGTFXCUGL-STQMWFEESA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614506873 355965296 /nfs/dbraw/zinc/96/52/96/355965296.db2.gz JYAWMFGTFXCUGL-STQMWFEESA-N 2 1 266.389 -0.413 20 0 CBADMP CC[C@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)[NH+](C)C ZINC000614505822 355965881 /nfs/dbraw/zinc/96/58/81/355965881.db2.gz BCJRNPNTOIHWDD-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)[NH+](C)C ZINC000614508955 355967040 /nfs/dbraw/zinc/96/70/40/355967040.db2.gz YREUBKXSTHASOX-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000615146916 356012441 /nfs/dbraw/zinc/01/24/41/356012441.db2.gz XQQWGWSDFIZBRI-CYBMUJFWSA-N 2 1 267.373 -0.129 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000615146916 356012443 /nfs/dbraw/zinc/01/24/43/356012443.db2.gz XQQWGWSDFIZBRI-CYBMUJFWSA-N 2 1 267.373 -0.129 20 0 CBADMP CN(Cc1c[nH]cn1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000616927027 356115689 /nfs/dbraw/zinc/11/56/89/356115689.db2.gz YQENSEKQKMZGME-GFCCVEGCSA-N 2 1 263.345 -0.242 20 0 CBADMP CN(Cc1cnc[nH]1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000616927027 356115695 /nfs/dbraw/zinc/11/56/95/356115695.db2.gz YQENSEKQKMZGME-GFCCVEGCSA-N 2 1 263.345 -0.242 20 0 CBADMP CN(Cc1cnc[nH]1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000616927027 356115699 /nfs/dbraw/zinc/11/56/99/356115699.db2.gz YQENSEKQKMZGME-GFCCVEGCSA-N 2 1 263.345 -0.242 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)C2([NH+](C)C)CC2)CC1=O ZINC000616519053 356096041 /nfs/dbraw/zinc/09/60/41/356096041.db2.gz DSOUWZLTVGNYSM-UHFFFAOYSA-N 2 1 282.388 -0.687 20 0 CBADMP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000617764201 356155565 /nfs/dbraw/zinc/15/55/65/356155565.db2.gz MKRJNBNPLIUVIZ-ZDUSSCGKSA-N 2 1 270.421 -0.062 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(=O)NC1 ZINC000617504943 356139723 /nfs/dbraw/zinc/13/97/23/356139723.db2.gz QDAGWKGLDBGQLK-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(=O)NC1 ZINC000617504943 356139726 /nfs/dbraw/zinc/13/97/26/356139726.db2.gz QDAGWKGLDBGQLK-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000619898073 356229762 /nfs/dbraw/zinc/22/97/62/356229762.db2.gz QFRSMCCAHRWQOY-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000619898073 356229764 /nfs/dbraw/zinc/22/97/64/356229764.db2.gz QFRSMCCAHRWQOY-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000619898073 356229766 /nfs/dbraw/zinc/22/97/66/356229766.db2.gz QFRSMCCAHRWQOY-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP CCC[N@@H+]1CC[C@@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000619899794 356231341 /nfs/dbraw/zinc/23/13/41/356231341.db2.gz PMYYZGFKQJKNEJ-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000619899794 356231343 /nfs/dbraw/zinc/23/13/43/356231343.db2.gz PMYYZGFKQJKNEJ-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC[N@H+]1C ZINC000618299955 356185084 /nfs/dbraw/zinc/18/50/84/356185084.db2.gz HNMXZNUKGUXLJS-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000618305863 356185523 /nfs/dbraw/zinc/18/55/23/356185523.db2.gz KEPACDSOEHOUHE-LBPRGKRZSA-N 2 1 284.404 -0.584 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CC(N)=O)C1 ZINC000621295293 356267202 /nfs/dbraw/zinc/26/72/02/356267202.db2.gz CYDDITNLXUKMQK-VXGBXAGGSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CC(N)=O)C1 ZINC000621295293 356267204 /nfs/dbraw/zinc/26/72/04/356267204.db2.gz CYDDITNLXUKMQK-VXGBXAGGSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000621295293 356267206 /nfs/dbraw/zinc/26/72/06/356267206.db2.gz CYDDITNLXUKMQK-VXGBXAGGSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000621295293 356267209 /nfs/dbraw/zinc/26/72/09/356267209.db2.gz CYDDITNLXUKMQK-VXGBXAGGSA-N 2 1 257.378 -0.115 20 0 CBADMP C[C@@H](CNc1nc(N)[nH+]c(N)n1)[N@H+]1CCCC[C@H]1C ZINC000623857263 356379026 /nfs/dbraw/zinc/37/90/26/356379026.db2.gz LKTGRIOELRAFHG-BDAKNGLRSA-N 2 1 265.365 -0.207 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000623861450 356379096 /nfs/dbraw/zinc/37/90/96/356379096.db2.gz XYKOSWXRLJPGCX-MRVPVSSYSA-N 2 1 251.338 -0.595 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1nc(N)[nH+]c(N)n1 ZINC000623885570 356380982 /nfs/dbraw/zinc/38/09/82/356380982.db2.gz BFXXFPWVOXRBQU-BDAKNGLRSA-N 2 1 265.365 -0.349 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623907945 356381589 /nfs/dbraw/zinc/38/15/89/356381589.db2.gz JNQKDBLPIZVZGL-VIFPVBQESA-N 2 1 265.365 -0.349 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623907945 356381590 /nfs/dbraw/zinc/38/15/90/356381590.db2.gz JNQKDBLPIZVZGL-VIFPVBQESA-N 2 1 265.365 -0.349 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623907945 356381591 /nfs/dbraw/zinc/38/15/91/356381591.db2.gz JNQKDBLPIZVZGL-VIFPVBQESA-N 2 1 265.365 -0.349 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623901824 356381613 /nfs/dbraw/zinc/38/16/13/356381613.db2.gz SUKOZQPIYULYQT-MRVPVSSYSA-N 2 1 251.338 -0.739 20 0 CBADMP CC(C)[N@@H+]1CC[C@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623901824 356381614 /nfs/dbraw/zinc/38/16/14/356381614.db2.gz SUKOZQPIYULYQT-MRVPVSSYSA-N 2 1 251.338 -0.739 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623901824 356381615 /nfs/dbraw/zinc/38/16/15/356381615.db2.gz SUKOZQPIYULYQT-MRVPVSSYSA-N 2 1 251.338 -0.739 20 0 CBADMP CCC[NH+]1CCC(CNc2nc(N)nc(N)[nH+]2)CC1 ZINC000623912753 356382264 /nfs/dbraw/zinc/38/22/64/356382264.db2.gz SZBUJAQIHMOGOO-UHFFFAOYSA-N 2 1 265.365 -0.347 20 0 CBADMP Nc1nc(NC[C@@H]2CCCC[N@H+]2C2CC2)nc(N)[nH+]1 ZINC000624160146 356400239 /nfs/dbraw/zinc/40/02/39/356400239.db2.gz DDEUKZDQIYSGGV-VIFPVBQESA-N 2 1 263.349 -0.453 20 0 CBADMP CC(C)[N@H+]1CCCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623934125 356383194 /nfs/dbraw/zinc/38/31/94/356383194.db2.gz BZAMRGQUYOGOOI-UHFFFAOYSA-N 2 1 251.338 -0.383 20 0 CBADMP COCCC[NH+]1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000623931221 356383403 /nfs/dbraw/zinc/38/34/03/356383403.db2.gz OYRVJFOWVIVSDK-UHFFFAOYSA-N 2 1 281.364 -0.969 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1nc(N)[nH+]c(N)n1 ZINC000624024285 356390875 /nfs/dbraw/zinc/39/08/75/356390875.db2.gz CENMGEMHCIFOAI-JGVFFNPUSA-N 2 1 251.338 -0.527 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624055919 356393339 /nfs/dbraw/zinc/39/33/39/356393339.db2.gz SFIDQJTWELPVEP-SNVBAGLBSA-N 2 1 279.392 -0.101 20 0 CBADMP CC(C)C[N@@H+]1CCC[C@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624055919 356393342 /nfs/dbraw/zinc/39/33/42/356393342.db2.gz SFIDQJTWELPVEP-SNVBAGLBSA-N 2 1 279.392 -0.101 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624055919 356393347 /nfs/dbraw/zinc/39/33/47/356393347.db2.gz SFIDQJTWELPVEP-SNVBAGLBSA-N 2 1 279.392 -0.101 20 0 CBADMP Nc1nc(NC[C@@H]2CC[N@H+]2C2CCCC2)nc(N)[nH+]1 ZINC000624639499 356429741 /nfs/dbraw/zinc/42/97/41/356429741.db2.gz FREGHDZISUGKMB-VIFPVBQESA-N 2 1 263.349 -0.453 20 0 CBADMP C[N@@H+](CCCCNc1nc(N)[nH+]c(N)n1)C1CC1 ZINC000624267454 356408375 /nfs/dbraw/zinc/40/83/75/356408375.db2.gz NOAOIAAWKGSDPC-UHFFFAOYSA-N 2 1 251.338 -0.595 20 0 CBADMP C[N@H+](CCCCNc1nc(N)nc(N)[nH+]1)C1CC1 ZINC000624267454 356408376 /nfs/dbraw/zinc/40/83/76/356408376.db2.gz NOAOIAAWKGSDPC-UHFFFAOYSA-N 2 1 251.338 -0.595 20 0 CBADMP C[N@@H+](CCCCNc1nc(N)nc(N)[nH+]1)C1CC1 ZINC000624267454 356408378 /nfs/dbraw/zinc/40/83/78/356408378.db2.gz NOAOIAAWKGSDPC-UHFFFAOYSA-N 2 1 251.338 -0.595 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNc2nc(N)[nH+]c(N)n2)C1 ZINC000624272901 356409624 /nfs/dbraw/zinc/40/96/24/356409624.db2.gz SICGEKRAJCYJKB-QMMMGPOBSA-N 2 1 251.338 -0.738 20 0 CBADMP C[N@@H+]1CCC[C@@H](CCNc2nc(N)nc(N)[nH+]2)C1 ZINC000624272901 356409626 /nfs/dbraw/zinc/40/96/26/356409626.db2.gz SICGEKRAJCYJKB-QMMMGPOBSA-N 2 1 251.338 -0.738 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNc2nc(N)nc(N)[nH+]2)C1 ZINC000624272901 356409628 /nfs/dbraw/zinc/40/96/28/356409628.db2.gz SICGEKRAJCYJKB-QMMMGPOBSA-N 2 1 251.338 -0.738 20 0 CBADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039632 356504079 /nfs/dbraw/zinc/50/40/79/356504079.db2.gz JHQNDTGSXVIICC-WCQGTBRESA-N 2 1 255.362 -0.363 20 0 CBADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039632 356504084 /nfs/dbraw/zinc/50/40/84/356504084.db2.gz JHQNDTGSXVIICC-WCQGTBRESA-N 2 1 255.362 -0.363 20 0 CBADMP C[NH+](C[C@H](O)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1)C1CC1 ZINC000626039632 356504085 /nfs/dbraw/zinc/50/40/85/356504085.db2.gz JHQNDTGSXVIICC-WCQGTBRESA-N 2 1 255.362 -0.363 20 0 CBADMP C[NH+](C[C@H](O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1)C1CC1 ZINC000626039632 356504088 /nfs/dbraw/zinc/50/40/88/356504088.db2.gz JHQNDTGSXVIICC-WCQGTBRESA-N 2 1 255.362 -0.363 20 0 CBADMP CN(CCOCC[NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000626917992 356556160 /nfs/dbraw/zinc/55/61/60/356556160.db2.gz RMAZIIIUORFHHW-UHFFFAOYSA-N 2 1 288.392 -0.675 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000626934344 356557164 /nfs/dbraw/zinc/55/71/64/356557164.db2.gz XOSZTESYXLVESZ-NWDGAFQWSA-N 2 1 297.403 -0.800 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000626950671 356558681 /nfs/dbraw/zinc/55/86/81/356558681.db2.gz YHYBPDCSBYVMGR-NSHDSACASA-N 2 1 270.377 -0.112 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000626950233 356559188 /nfs/dbraw/zinc/55/91/88/356559188.db2.gz NJUDQZNCTMHQJR-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP CCN(CC[NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000626974533 356561982 /nfs/dbraw/zinc/56/19/82/356561982.db2.gz IRLPQWBNXXMQEA-LLVKDONJSA-N 2 1 257.382 -0.778 20 0 CBADMP C[C@H](NC(=O)N(C)CCOCC[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000627003937 356565567 /nfs/dbraw/zinc/56/55/67/356565567.db2.gz WZMDPLXFESSALI-NWDGAFQWSA-N 2 1 288.392 -0.678 20 0 CBADMP C[C@H](NC(=O)N(C)CCOCC[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000627003937 356565571 /nfs/dbraw/zinc/56/55/71/356565571.db2.gz WZMDPLXFESSALI-NWDGAFQWSA-N 2 1 288.392 -0.678 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CCCOCC1 ZINC000627045267 356569786 /nfs/dbraw/zinc/56/97/86/356569786.db2.gz WIZAZAIVBUBVBT-NWDGAFQWSA-N 2 1 270.377 -0.242 20 0 CBADMP CN(CCOCC[NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000627044468 356569848 /nfs/dbraw/zinc/56/98/48/356569848.db2.gz LHUJYVFFIWZSCN-UHFFFAOYSA-N 2 1 288.392 -0.675 20 0 CBADMP CCN(CC[NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000627044983 356569937 /nfs/dbraw/zinc/56/99/37/356569937.db2.gz SEGUOOGQUUGXMB-UHFFFAOYSA-N 2 1 258.366 -0.301 20 0 CBADMP C[NH2+]CCOCCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000627044501 356570026 /nfs/dbraw/zinc/57/00/26/356570026.db2.gz MSTOYDPEKIYVSM-UHFFFAOYSA-N 2 1 288.392 -0.756 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N(C)CCOCC[NH3+])C1 ZINC000626982659 356563606 /nfs/dbraw/zinc/56/36/06/356563606.db2.gz OMIOBQPEAUEEFJ-GFCCVEGCSA-N 2 1 288.392 -0.676 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000626982656 356563629 /nfs/dbraw/zinc/56/36/29/356563629.db2.gz OCAGWRPTLBIXJZ-SDDRHHMPSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627148514 356588959 /nfs/dbraw/zinc/58/89/59/356588959.db2.gz XXDIELKWVBSNOG-GFCCVEGCSA-N 2 1 288.367 -0.163 20 0 CBADMP C[NH2+]CCOCCNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000627171074 356592296 /nfs/dbraw/zinc/59/22/96/356592296.db2.gz PVXYDKJMFCAYRZ-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP CC(C)[NH2+]CCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627070703 356573923 /nfs/dbraw/zinc/57/39/23/356573923.db2.gz FLIWBJBPCLOLHQ-GFCCVEGCSA-N 2 1 272.393 -0.260 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@H]1CCC[NH2+]1 ZINC000627073738 356574474 /nfs/dbraw/zinc/57/44/74/356574474.db2.gz KNTUPWUZWYRIFK-MNOVXSKESA-N 2 1 256.350 -0.896 20 0 CBADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627079905 356576004 /nfs/dbraw/zinc/57/60/04/356576004.db2.gz XXWMQRMDIMYZPC-FRRDWIJNSA-N 2 1 284.404 -0.130 20 0 CBADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627079912 356576045 /nfs/dbraw/zinc/57/60/45/356576045.db2.gz XXWMQRMDIMYZPC-RWMBFGLXSA-N 2 1 284.404 -0.130 20 0 CBADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627079925 356576082 /nfs/dbraw/zinc/57/60/82/356576082.db2.gz XXWMQRMDIMYZPC-YNEHKIRRSA-N 2 1 284.404 -0.130 20 0 CBADMP [NH3+][C@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000627082571 356577307 /nfs/dbraw/zinc/57/73/07/356577307.db2.gz HJRIWKQEDKWRBA-WDEREUQCSA-N 2 1 256.350 -0.911 20 0 CBADMP CC(C)C[C@H](C[NH3+])NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627081827 356577428 /nfs/dbraw/zinc/57/74/28/356577428.db2.gz ZEVJENCDOAQGPG-VXGBXAGGSA-N 2 1 272.393 -0.274 20 0 CBADMP CC(C)C[C@H](C[NH3+])NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627081819 356577461 /nfs/dbraw/zinc/57/74/61/356577461.db2.gz ZEVJENCDOAQGPG-NEPJUHHUSA-N 2 1 272.393 -0.274 20 0 CBADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627090734 356581551 /nfs/dbraw/zinc/58/15/51/356581551.db2.gz YNHGWCXNBGDKGN-WOPDTQHZSA-N 2 1 270.377 -0.650 20 0 CBADMP [NH3+]C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)C1CCCC1 ZINC000627090785 356581670 /nfs/dbraw/zinc/58/16/70/356581670.db2.gz ZNJSWTNDFLVYEN-CHWSQXEVSA-N 2 1 284.404 -0.130 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000627093512 356582222 /nfs/dbraw/zinc/58/22/22/356582222.db2.gz LYRSMUNIAPVQFG-ROKHWSDSSA-N 2 1 295.431 -0.136 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCC12CC(C1)C[NH2+]2 ZINC000627117179 356586298 /nfs/dbraw/zinc/58/62/98/356586298.db2.gz UEZAEIQZYYMUJM-AKJDGMEZSA-N 2 1 268.361 -0.896 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H]1CC12CC[NH2+]CC2 ZINC000627119690 356587204 /nfs/dbraw/zinc/58/72/04/356587204.db2.gz SXVOTCGBUXIRJT-NEPJUHHUSA-N 2 1 282.388 -0.506 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627242077 356610237 /nfs/dbraw/zinc/61/02/37/356610237.db2.gz NFFWKHMNAKCEOU-WDEREUQCSA-N 2 1 258.366 -0.650 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000627243111 356610779 /nfs/dbraw/zinc/61/07/79/356610779.db2.gz BENKHGMKZYQRAR-NWDGAFQWSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000627243862 356611123 /nfs/dbraw/zinc/61/11/23/356611123.db2.gz XNXAZPOWXWPLRY-FVCCEPFGSA-N 2 1 284.404 -0.167 20 0 CBADMP CC[NH+]1CCN(C(=O)NCCOCC[NH2+]C)CC1 ZINC000627179032 356595436 /nfs/dbraw/zinc/59/54/36/356595436.db2.gz JGLJYKIFMRQUAY-UHFFFAOYSA-N 2 1 258.366 -0.431 20 0 CBADMP C[C@@H](C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)[NH+](C)C ZINC000627258750 356616482 /nfs/dbraw/zinc/61/64/82/356616482.db2.gz GPFUKRFWVZOCBB-SRVKXCTJSA-N 2 1 255.362 -0.396 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627204244 356604549 /nfs/dbraw/zinc/60/45/49/356604549.db2.gz CFJNOVKVVVXLFM-NWDGAFQWSA-N 2 1 272.393 -0.260 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000627349563 356630727 /nfs/dbraw/zinc/63/07/27/356630727.db2.gz RNMUARUDDYYJMU-AXFHLTTASA-N 2 1 280.372 -0.794 20 0 CBADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627355637 356631464 /nfs/dbraw/zinc/63/14/64/356631464.db2.gz LYQNXIBSKKWOQV-GFCCVEGCSA-N 2 1 293.371 -0.434 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000627365640 356633617 /nfs/dbraw/zinc/63/36/17/356633617.db2.gz VGZUDPOQIMGNIS-SNVBAGLBSA-N 2 1 268.361 -0.935 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000627377063 356634947 /nfs/dbraw/zinc/63/49/47/356634947.db2.gz XFYARMKPGNXYHN-NSHDSACASA-N 2 1 282.388 -0.440 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000627259136 356616601 /nfs/dbraw/zinc/61/66/01/356616601.db2.gz NNMPTVDLKCZYEE-JHJVBQTASA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627259136 356616604 /nfs/dbraw/zinc/61/66/04/356616604.db2.gz NNMPTVDLKCZYEE-JHJVBQTASA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627259136 356616607 /nfs/dbraw/zinc/61/66/07/356616607.db2.gz NNMPTVDLKCZYEE-JHJVBQTASA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC000627268949 356618008 /nfs/dbraw/zinc/61/80/08/356618008.db2.gz KPBCRBTWUQGQBV-RYUDHWBXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)CC1 ZINC000627268949 356618012 /nfs/dbraw/zinc/61/80/12/356618012.db2.gz KPBCRBTWUQGQBV-RYUDHWBXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000627319582 356625811 /nfs/dbraw/zinc/62/58/11/356625811.db2.gz YNKSFXCBDXLIFF-LBPRGKRZSA-N 2 1 294.399 -0.402 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[NH2+]1 ZINC000627325456 356626454 /nfs/dbraw/zinc/62/64/54/356626454.db2.gz KPLYJAQLZBWJRB-WOPDTQHZSA-N 2 1 294.399 -0.404 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000627388753 356636893 /nfs/dbraw/zinc/63/68/93/356636893.db2.gz GGQPPEWYKKILCV-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000627398871 356639318 /nfs/dbraw/zinc/63/93/18/356639318.db2.gz YRVBNFHBNCKCKP-GRYCIOLGSA-N 2 1 280.372 -0.793 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414672385 291114581 /nfs/dbraw/zinc/11/45/81/291114581.db2.gz PASPQWFEJQCKHV-SDDRHHMPSA-N 2 1 283.372 -0.262 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414672385 291114583 /nfs/dbraw/zinc/11/45/83/291114583.db2.gz PASPQWFEJQCKHV-SDDRHHMPSA-N 2 1 283.372 -0.262 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627505758 356661115 /nfs/dbraw/zinc/66/11/15/356661115.db2.gz FAGXPKQZIOXZJA-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000627506830 356661632 /nfs/dbraw/zinc/66/16/32/356661632.db2.gz LFILEQYNFVCRDR-XQQFMLRXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C[NH2+]1 ZINC000627477064 356653162 /nfs/dbraw/zinc/65/31/62/356653162.db2.gz QOBQURFBEUCBMM-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627478478 356654079 /nfs/dbraw/zinc/65/40/79/356654079.db2.gz NKKLEVUOPMKCTN-RWMBFGLXSA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[N@@H+]1C ZINC000627498952 356657563 /nfs/dbraw/zinc/65/75/63/356657563.db2.gz SLNXBEJRTYOKDF-XQQFMLRXSA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[N@H+]1C ZINC000627498952 356657567 /nfs/dbraw/zinc/65/75/67/356657567.db2.gz SLNXBEJRTYOKDF-XQQFMLRXSA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627498111 356657706 /nfs/dbraw/zinc/65/77/06/356657706.db2.gz IXURXYTUFGCIFR-YNEHKIRRSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000627500031 356658311 /nfs/dbraw/zinc/65/83/11/356658311.db2.gz KQRKDVDCENTZCP-WCFLWFBJSA-N 2 1 294.399 -0.452 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627501428 356658934 /nfs/dbraw/zinc/65/89/34/356658934.db2.gz KAACZHMROPQGJV-YNEHKIRRSA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627501428 356658938 /nfs/dbraw/zinc/65/89/38/356658938.db2.gz KAACZHMROPQGJV-YNEHKIRRSA-N 2 1 296.415 -0.348 20 0 CBADMP 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 356659035 /nfs/dbraw/zinc/65/90/35/356659035.db2.gz RXDLVGDSVNYBSD-MROQNXINSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000627503761 356659808 /nfs/dbraw/zinc/65/98/08/356659808.db2.gz ZXSFIEFETZZSFD-SDDRHHMPSA-N 2 1 282.388 -0.594 20 0 CBADMP CN(C)S(=O)(=O)NCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000628274721 356695203 /nfs/dbraw/zinc/69/52/03/356695203.db2.gz KANRFOVTYYHMTD-NSHDSACASA-N 2 1 292.449 -0.155 20 0 CBADMP CN(C)S(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000628274721 356695209 /nfs/dbraw/zinc/69/52/09/356695209.db2.gz KANRFOVTYYHMTD-NSHDSACASA-N 2 1 292.449 -0.155 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000628585612 356713709 /nfs/dbraw/zinc/71/37/09/356713709.db2.gz NUUYOFDNBQYFAZ-LBPRGKRZSA-N 2 1 293.371 -0.352 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000628585612 356713712 /nfs/dbraw/zinc/71/37/12/356713712.db2.gz NUUYOFDNBQYFAZ-LBPRGKRZSA-N 2 1 293.371 -0.352 20 0 CBADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+](C)C ZINC000628584660 356714310 /nfs/dbraw/zinc/71/43/10/356714310.db2.gz WMZRRBMWQRRNSH-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP c1cnc(N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)nn1 ZINC000629552511 356778579 /nfs/dbraw/zinc/77/85/79/356778579.db2.gz LFXZEVHAHAEHSE-LBPRGKRZSA-N 2 1 290.371 -0.485 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000629170726 356751111 /nfs/dbraw/zinc/75/11/11/356751111.db2.gz XPCAMGQHDSMFMO-CHWSQXEVSA-N 2 1 267.373 -0.204 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000629170726 356751114 /nfs/dbraw/zinc/75/11/14/356751114.db2.gz XPCAMGQHDSMFMO-CHWSQXEVSA-N 2 1 267.373 -0.204 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000629170726 356751117 /nfs/dbraw/zinc/75/11/17/356751117.db2.gz XPCAMGQHDSMFMO-CHWSQXEVSA-N 2 1 267.373 -0.204 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)C[C@H](C)CS(C)(=O)=O ZINC000629571182 356780665 /nfs/dbraw/zinc/78/06/65/356780665.db2.gz IVFAAIJNPNVFNN-NSHDSACASA-N 2 1 266.407 -0.165 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@H](C)CS(C)(=O)=O ZINC000629571182 356780667 /nfs/dbraw/zinc/78/06/67/356780667.db2.gz IVFAAIJNPNVFNN-NSHDSACASA-N 2 1 266.407 -0.165 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(CC)CC[NH3+])CC1 ZINC000629812167 356798169 /nfs/dbraw/zinc/79/81/69/356798169.db2.gz NIAGCQPQNJIZST-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000629913899 356805639 /nfs/dbraw/zinc/80/56/39/356805639.db2.gz PLNVMMMDVUDZLY-NWDGAFQWSA-N 2 1 257.378 -0.245 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000629913376 356805832 /nfs/dbraw/zinc/80/58/32/356805832.db2.gz JIGWNAFJOSITFA-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629913376 356805835 /nfs/dbraw/zinc/80/58/35/356805835.db2.gz JIGWNAFJOSITFA-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629913376 356805841 /nfs/dbraw/zinc/80/58/41/356805841.db2.gz JIGWNAFJOSITFA-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629918710 356810541 /nfs/dbraw/zinc/81/05/41/356810541.db2.gz OUWWFPNMUXTHRY-NSHDSACASA-N 2 1 252.318 -0.626 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629918710 356810545 /nfs/dbraw/zinc/81/05/45/356810545.db2.gz OUWWFPNMUXTHRY-NSHDSACASA-N 2 1 252.318 -0.626 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000630093428 356828164 /nfs/dbraw/zinc/82/81/64/356828164.db2.gz NTFKLYXLFYFJGH-SDDRHHMPSA-N 2 1 255.362 -0.179 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@@H+](C)CCOCC[NH3+] ZINC000629577884 356781510 /nfs/dbraw/zinc/78/15/10/356781510.db2.gz DTUKZXZFGGVTTO-UHFFFAOYSA-N 2 1 267.395 -0.825 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCOCC[NH3+] ZINC000629575491 356781573 /nfs/dbraw/zinc/78/15/73/356781573.db2.gz OAFLTQSRGKGYAW-RYUDHWBXSA-N 2 1 273.377 -0.423 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@H+](C)CCOCC[NH3+])C[C@H](C)O1 ZINC000629573861 356781583 /nfs/dbraw/zinc/78/15/83/356781583.db2.gz DDGAGGOWHPXCNY-TXEJJXNPSA-N 2 1 273.377 -0.471 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CCOCC[NH3+])C[C@H](C)O1 ZINC000629573861 356781588 /nfs/dbraw/zinc/78/15/88/356781588.db2.gz DDGAGGOWHPXCNY-TXEJJXNPSA-N 2 1 273.377 -0.471 20 0 CBADMP CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629579223 356782301 /nfs/dbraw/zinc/78/23/01/356782301.db2.gz CDFSQDIMXIXTKP-NEPJUHHUSA-N 2 1 293.433 -0.640 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629581998 356782419 /nfs/dbraw/zinc/78/24/19/356782419.db2.gz LOJNJTOHKBTWJA-PHIMTYICSA-N 2 1 268.361 -0.996 20 0 CBADMP Cc1cc(NC(=O)C[N@H+](C)CCOCC[NH3+])n(C)n1 ZINC000629579172 356782569 /nfs/dbraw/zinc/78/25/69/356782569.db2.gz ZQYFVFCODSIRJG-UHFFFAOYSA-N 2 1 269.349 -0.426 20 0 CBADMP Cc1cc(NC(=O)C[N@@H+](C)CCOCC[NH3+])n(C)n1 ZINC000629579172 356782571 /nfs/dbraw/zinc/78/25/71/356782571.db2.gz ZQYFVFCODSIRJG-UHFFFAOYSA-N 2 1 269.349 -0.426 20 0 CBADMP C[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)CCOCC[NH3+] ZINC000629578883 356782996 /nfs/dbraw/zinc/78/29/96/356782996.db2.gz MWPOVWZVBJBSDH-UHFFFAOYSA-N 2 1 286.376 -0.386 20 0 CBADMP Cc1cc(N2CC[C@H]([N@H+](C)CCOCC[NH3+])C2=O)n(C)n1 ZINC000629578995 356783019 /nfs/dbraw/zinc/78/30/19/356783019.db2.gz YJRWHFPZOQGQCM-LBPRGKRZSA-N 2 1 295.387 -0.259 20 0 CBADMP Cc1cc(N2CC[C@H]([N@@H+](C)CCOCC[NH3+])C2=O)n(C)n1 ZINC000629578995 356783024 /nfs/dbraw/zinc/78/30/24/356783024.db2.gz YJRWHFPZOQGQCM-LBPRGKRZSA-N 2 1 295.387 -0.259 20 0 CBADMP CC[N@@H+](CCO)CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629583442 356783640 /nfs/dbraw/zinc/78/36/40/356783640.db2.gz DJDJPOWDSBATOK-CYBMUJFWSA-N 2 1 259.394 -0.653 20 0 CBADMP CC(=O)NC[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000629595259 356784830 /nfs/dbraw/zinc/78/48/30/356784830.db2.gz LSYMGTNATLSLJL-AWEZNQCLSA-N 2 1 296.415 -0.201 20 0 CBADMP CN1CCOC[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629600077 356785152 /nfs/dbraw/zinc/78/51/52/356785152.db2.gz RHLVXQSGWKWINI-CHWSQXEVSA-N 2 1 257.378 -0.637 20 0 CBADMP CC(=O)NC[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000629595575 356785167 /nfs/dbraw/zinc/78/51/67/356785167.db2.gz UDGSNDUSLCMKME-CQSZACIVSA-N 2 1 268.405 -0.118 20 0 CBADMP Cn1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)nn2)n1 ZINC000630592468 356853916 /nfs/dbraw/zinc/85/39/16/356853916.db2.gz RKJCVBSLABQUJE-UHFFFAOYSA-N 2 1 275.360 -0.034 20 0 CBADMP C[NH+](C)CCC[N@H+](C)CCn1cc(CC[NH3+])nn1 ZINC000630612616 356855242 /nfs/dbraw/zinc/85/52/42/356855242.db2.gz XCQTWTBABCOVQT-UHFFFAOYSA-N 3 1 254.382 -0.337 20 0 CBADMP C[NH+](C)CCC[N@@H+](C)CCn1cc(CC[NH3+])nn1 ZINC000630612616 356855245 /nfs/dbraw/zinc/85/52/45/356855245.db2.gz XCQTWTBABCOVQT-UHFFFAOYSA-N 3 1 254.382 -0.337 20 0 CBADMP CC(C)C[N@@H+](CCN(C)C)CCn1cc([C@H]([NH3+])CO)nn1 ZINC000630610860 356855345 /nfs/dbraw/zinc/85/53/45/356855345.db2.gz RXHFHZLBZVPJNM-CYBMUJFWSA-N 2 1 298.435 -0.210 20 0 CBADMP CC(C)CN(CCn1cc([C@H]([NH3+])CO)nn1)CC[NH+](C)C ZINC000630610860 356855347 /nfs/dbraw/zinc/85/53/47/356855347.db2.gz RXHFHZLBZVPJNM-CYBMUJFWSA-N 2 1 298.435 -0.210 20 0 CBADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000631820804 356908693 /nfs/dbraw/zinc/90/86/93/356908693.db2.gz GWMQNLKWADBWFB-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C[NH3+] ZINC000631842288 356910809 /nfs/dbraw/zinc/91/08/09/356910809.db2.gz YBKHLVUHLMEQSL-NXEZZACHSA-N 2 1 266.345 -0.889 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000631849487 356911617 /nfs/dbraw/zinc/91/16/17/356911617.db2.gz LCUINSSLNDLHAA-AGIUHOORSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1CCC(=O)N1CC[NH+](C)CC1 ZINC000631861603 356913663 /nfs/dbraw/zinc/91/36/63/356913663.db2.gz FLAOEPHWFPVLMB-VXGBXAGGSA-N 2 1 254.378 -0.428 20 0 CBADMP CNC(=O)NC[C@@H]1COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000631873911 356915437 /nfs/dbraw/zinc/91/54/37/356915437.db2.gz WLFAGIRBBJTKRU-NWDGAFQWSA-N 2 1 270.377 -0.384 20 0 CBADMP CNC(=O)NC[C@@H]1COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000631873911 356915443 /nfs/dbraw/zinc/91/54/43/356915443.db2.gz WLFAGIRBBJTKRU-NWDGAFQWSA-N 2 1 270.377 -0.384 20 0 CBADMP C[C@@H]1C[NH2+]CCN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631902994 356918661 /nfs/dbraw/zinc/91/86/61/356918661.db2.gz WFIMRUVBXMEASD-SNVBAGLBSA-N 2 1 276.406 -0.791 20 0 CBADMP C[NH2+]C[C@@H]1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000631904731 356920322 /nfs/dbraw/zinc/92/03/22/356920322.db2.gz WZYQPMLGVSNRCC-NSHDSACASA-N 2 1 275.418 -0.048 20 0 CBADMP C[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)C[C@H]1[NH3+] ZINC000631932702 356926386 /nfs/dbraw/zinc/92/63/86/356926386.db2.gz QQJLVFCODYQDET-NXEZZACHSA-N 2 1 261.391 -0.311 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000631934382 356927101 /nfs/dbraw/zinc/92/71/01/356927101.db2.gz ZCWZOTQVFSQSKG-PHIMTYICSA-N 2 1 273.402 -0.438 20 0 CBADMP C[NH2+]CCOCCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631954532 356933642 /nfs/dbraw/zinc/93/36/42/356933642.db2.gz PEWLJZRJGNHWDF-UHFFFAOYSA-N 2 1 279.406 -0.764 20 0 CBADMP CNS(=O)(=O)CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000631708725 356902498 /nfs/dbraw/zinc/90/24/98/356902498.db2.gz GMYYBJLLRLKRGI-QWRGUYRKSA-N 2 1 263.407 -0.002 20 0 CBADMP COCC[N@H+](C)CCNS(=O)(=O)CCC[NH+](C)C ZINC000632255606 356964878 /nfs/dbraw/zinc/96/48/78/356964878.db2.gz YLQHERODZOUWMG-UHFFFAOYSA-N 2 1 281.422 -0.564 20 0 CBADMP COCC[N@@H+](C)CCNS(=O)(=O)CCC[NH+](C)C ZINC000632255606 356964881 /nfs/dbraw/zinc/96/48/81/356964881.db2.gz YLQHERODZOUWMG-UHFFFAOYSA-N 2 1 281.422 -0.564 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000632259054 356965573 /nfs/dbraw/zinc/96/55/73/356965573.db2.gz AUFZWASOULDTDQ-UHFFFAOYSA-N 2 1 293.433 -0.420 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000632259054 356965577 /nfs/dbraw/zinc/96/55/77/356965577.db2.gz AUFZWASOULDTDQ-UHFFFAOYSA-N 2 1 293.433 -0.420 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000632360178 356977343 /nfs/dbraw/zinc/97/73/43/356977343.db2.gz RYCUXWMWHPWUEI-NWDGAFQWSA-N 2 1 275.418 -0.096 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC000632430466 356987060 /nfs/dbraw/zinc/98/70/60/356987060.db2.gz CCSNUPQGCCQFRY-NSHDSACASA-N 2 1 275.418 -0.048 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000632430466 356987062 /nfs/dbraw/zinc/98/70/62/356987062.db2.gz CCSNUPQGCCQFRY-NSHDSACASA-N 2 1 275.418 -0.048 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633089753 357042585 /nfs/dbraw/zinc/04/25/85/357042585.db2.gz HSXAHDFTYNAORS-AVGNSLFASA-N 2 1 294.399 -0.642 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633089753 357042589 /nfs/dbraw/zinc/04/25/89/357042589.db2.gz HSXAHDFTYNAORS-AVGNSLFASA-N 2 1 294.399 -0.642 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@@H]1C ZINC000633095875 357044781 /nfs/dbraw/zinc/04/47/81/357044781.db2.gz ZLXSHVIPSIDZEY-CYDGBPFRSA-N 2 1 294.399 -0.500 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@@H]1C ZINC000633095875 357044785 /nfs/dbraw/zinc/04/47/85/357044785.db2.gz ZLXSHVIPSIDZEY-CYDGBPFRSA-N 2 1 294.399 -0.500 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)[C@@H]2C1 ZINC000633099979 357045287 /nfs/dbraw/zinc/04/52/87/357045287.db2.gz MJZAAZGIZRMSGH-MROQNXINSA-N 2 1 292.383 -0.888 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633113385 357048714 /nfs/dbraw/zinc/04/87/14/357048714.db2.gz GQLYPLPUAOQLMW-AGIUHOORSA-N 2 1 294.399 -0.498 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000633116218 357049421 /nfs/dbraw/zinc/04/94/21/357049421.db2.gz QHAPBYMWDKJZES-YNEHKIRRSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)C1 ZINC000633150581 357052868 /nfs/dbraw/zinc/05/28/68/357052868.db2.gz ZWRAWSADCBQMAP-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CN(CC1C[NH+](C)C1)S(=O)(=O)CCC[NH+](C)C ZINC000632555003 357001700 /nfs/dbraw/zinc/00/17/00/357001700.db2.gz UKGUZSUOALDRPY-UHFFFAOYSA-N 2 1 263.407 -0.239 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000633481133 357069054 /nfs/dbraw/zinc/06/90/54/357069054.db2.gz KCPSFRIDNNSQKO-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCNC1=O ZINC000633615225 357075051 /nfs/dbraw/zinc/07/50/51/357075051.db2.gz YHHHOMZZDHAOFV-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCNC1=O ZINC000633615225 357075053 /nfs/dbraw/zinc/07/50/53/357075053.db2.gz YHHHOMZZDHAOFV-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@H+]1C ZINC000633699883 357081910 /nfs/dbraw/zinc/08/19/10/357081910.db2.gz ZKVPVYOJGNRTPQ-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000633699883 357081911 /nfs/dbraw/zinc/08/19/11/357081911.db2.gz ZKVPVYOJGNRTPQ-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000633699883 357081914 /nfs/dbraw/zinc/08/19/14/357081914.db2.gz ZKVPVYOJGNRTPQ-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000634768433 357134479 /nfs/dbraw/zinc/13/44/79/357134479.db2.gz KDMLXWDHXRMUIY-BZPMIXESSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000634768433 357134482 /nfs/dbraw/zinc/13/44/82/357134482.db2.gz KDMLXWDHXRMUIY-BZPMIXESSA-N 2 1 267.373 -0.035 20 0 CBADMP Cn1cc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)c(=O)n(C)c1=O ZINC000634997853 357142577 /nfs/dbraw/zinc/14/25/77/357142577.db2.gz UVYLOZWJAICTMX-GFCCVEGCSA-N 2 1 280.372 -0.213 20 0 CBADMP Cn1cc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)c(=O)n(C)c1=O ZINC000634997853 357142578 /nfs/dbraw/zinc/14/25/78/357142578.db2.gz UVYLOZWJAICTMX-GFCCVEGCSA-N 2 1 280.372 -0.213 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](CCO)CC2)C1 ZINC000635249054 357153954 /nfs/dbraw/zinc/15/39/54/357153954.db2.gz QJCOXUZXRHMWEX-GFCCVEGCSA-N 2 1 255.362 -0.535 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+](CCO)CC2)C1 ZINC000635249054 357153956 /nfs/dbraw/zinc/15/39/56/357153956.db2.gz QJCOXUZXRHMWEX-GFCCVEGCSA-N 2 1 255.362 -0.535 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+](CCO)CC2)C1 ZINC000635249055 357154397 /nfs/dbraw/zinc/15/43/97/357154397.db2.gz QJCOXUZXRHMWEX-LBPRGKRZSA-N 2 1 255.362 -0.535 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH+](CCO)CC2)C1 ZINC000635249055 357154398 /nfs/dbraw/zinc/15/43/98/357154398.db2.gz QJCOXUZXRHMWEX-LBPRGKRZSA-N 2 1 255.362 -0.535 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000634533872 357122657 /nfs/dbraw/zinc/12/26/57/357122657.db2.gz SDUXFJWPKSOPQA-TUAOUCFPSA-N 2 1 281.356 -0.746 20 0 CBADMP C[C@](O)(CO)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719837 357128833 /nfs/dbraw/zinc/12/88/33/357128833.db2.gz AIEJRTRGRALUPN-CVEARBPZSA-N 2 1 294.395 -0.044 20 0 CBADMP C[C@](O)(CO)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719837 357128834 /nfs/dbraw/zinc/12/88/34/357128834.db2.gz AIEJRTRGRALUPN-CVEARBPZSA-N 2 1 294.395 -0.044 20 0 CBADMP OC[C@H](O)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634718607 357128970 /nfs/dbraw/zinc/12/89/70/357128970.db2.gz GJWBBIAHILBCSH-CABCVRRESA-N 2 1 280.368 -0.434 20 0 CBADMP OC[C@H](O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634718607 357128974 /nfs/dbraw/zinc/12/89/74/357128974.db2.gz GJWBBIAHILBCSH-CABCVRRESA-N 2 1 280.368 -0.434 20 0 CBADMP OC[C@H](O)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634718609 357129279 /nfs/dbraw/zinc/12/92/79/357129279.db2.gz GJWBBIAHILBCSH-HUUCEWRRSA-N 2 1 280.368 -0.434 20 0 CBADMP OC[C@H](O)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634718609 357129283 /nfs/dbraw/zinc/12/92/83/357129283.db2.gz GJWBBIAHILBCSH-HUUCEWRRSA-N 2 1 280.368 -0.434 20 0 CBADMP NC(=O)[C@@H](O)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721193 357129378 /nfs/dbraw/zinc/12/93/78/357129378.db2.gz VADIOTJWJGNSGR-DZGCQCFKSA-N 2 1 293.367 -0.941 20 0 CBADMP NC(=O)[C@@H](O)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721193 357129380 /nfs/dbraw/zinc/12/93/80/357129380.db2.gz VADIOTJWJGNSGR-DZGCQCFKSA-N 2 1 293.367 -0.941 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)CC1 ZINC000635928436 357234076 /nfs/dbraw/zinc/23/40/76/357234076.db2.gz GKHVCKKXIWMIMT-OLZOCXBDSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000635947957 357238312 /nfs/dbraw/zinc/23/83/12/357238312.db2.gz GJMPGPIJWXMPTR-SRVKXCTJSA-N 2 1 255.362 -0.539 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000636516402 357287775 /nfs/dbraw/zinc/28/77/75/357287775.db2.gz BLIBLHOMVSNEEF-CQSZACIVSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000636578687 357289819 /nfs/dbraw/zinc/28/98/19/357289819.db2.gz NLODGZOFCIYYIA-MGPQQGTHSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000636578687 357289824 /nfs/dbraw/zinc/28/98/24/357289824.db2.gz NLODGZOFCIYYIA-MGPQQGTHSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000636578687 357289825 /nfs/dbraw/zinc/28/98/25/357289825.db2.gz NLODGZOFCIYYIA-MGPQQGTHSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000636581249 357290444 /nfs/dbraw/zinc/29/04/44/357290444.db2.gz XBNPICRBJDGWTR-OCCSQVGLSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000636581249 357290448 /nfs/dbraw/zinc/29/04/48/357290448.db2.gz XBNPICRBJDGWTR-OCCSQVGLSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000636581249 357290453 /nfs/dbraw/zinc/29/04/53/357290453.db2.gz XBNPICRBJDGWTR-OCCSQVGLSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000636596606 357292086 /nfs/dbraw/zinc/29/20/86/357292086.db2.gz SUSISALAZONIJA-IHRRRGAJSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000636596606 357292089 /nfs/dbraw/zinc/29/20/89/357292089.db2.gz SUSISALAZONIJA-IHRRRGAJSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000636596606 357292091 /nfs/dbraw/zinc/29/20/91/357292091.db2.gz SUSISALAZONIJA-IHRRRGAJSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000636596605 357292257 /nfs/dbraw/zinc/29/22/57/357292257.db2.gz SUSISALAZONIJA-HZSPNIEDSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000636596605 357292262 /nfs/dbraw/zinc/29/22/62/357292262.db2.gz SUSISALAZONIJA-HZSPNIEDSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000636596605 357292264 /nfs/dbraw/zinc/29/22/64/357292264.db2.gz SUSISALAZONIJA-HZSPNIEDSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000636596607 357292326 /nfs/dbraw/zinc/29/23/26/357292326.db2.gz SUSISALAZONIJA-MCIONIFRSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000636596607 357292329 /nfs/dbraw/zinc/29/23/29/357292329.db2.gz SUSISALAZONIJA-MCIONIFRSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000636596607 357292330 /nfs/dbraw/zinc/29/23/30/357292330.db2.gz SUSISALAZONIJA-MCIONIFRSA-N 2 1 296.415 -0.021 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636665497 357295183 /nfs/dbraw/zinc/29/51/83/357295183.db2.gz LPMZERYTEMFZCJ-NWDGAFQWSA-N 2 1 272.393 -0.308 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636665500 357295837 /nfs/dbraw/zinc/29/58/37/357295837.db2.gz LPMZERYTEMFZCJ-VXGBXAGGSA-N 2 1 272.393 -0.308 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000636844695 357306930 /nfs/dbraw/zinc/30/69/30/357306930.db2.gz KYQFEQASYFSJQW-RWMBFGLXSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000636844695 357306934 /nfs/dbraw/zinc/30/69/34/357306934.db2.gz KYQFEQASYFSJQW-RWMBFGLXSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000636844695 357306940 /nfs/dbraw/zinc/30/69/40/357306940.db2.gz KYQFEQASYFSJQW-RWMBFGLXSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1)[NH+](C)C ZINC000636009225 357249517 /nfs/dbraw/zinc/24/95/17/357249517.db2.gz XVDROPJENCJXGE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CC1(C(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000636290686 357277609 /nfs/dbraw/zinc/27/76/09/357277609.db2.gz BQPHXBMLUOUJAL-NSHDSACASA-N 2 1 255.362 -0.489 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1(C[NH+](C)C)CC1 ZINC000636316743 357280002 /nfs/dbraw/zinc/28/00/02/357280002.db2.gz UZXMNLBBJFVYRS-UHFFFAOYSA-N 2 1 296.415 -0.439 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH2+]C1 ZINC000637812358 357369559 /nfs/dbraw/zinc/36/95/59/357369559.db2.gz RRKUGBIDDBPVLU-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637811816 357369774 /nfs/dbraw/zinc/36/97/74/357369774.db2.gz WXTKBENMYVOGFS-LBPRGKRZSA-N 2 1 282.388 -0.782 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000637837112 357373444 /nfs/dbraw/zinc/37/34/44/357373444.db2.gz CGHHRWWQPSTKIL-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000637835062 357373663 /nfs/dbraw/zinc/37/36/63/357373663.db2.gz JPCJVVWYSCISDQ-ZIAGYGMSSA-N 2 1 296.415 -0.787 20 0 CBADMP CN(CCN1CC[NH2+]CC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637834300 357373856 /nfs/dbraw/zinc/37/38/56/357373856.db2.gz BMNGHPGRKOXIQS-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000636907203 357311006 /nfs/dbraw/zinc/31/10/06/357311006.db2.gz LUXPAJSWVRIAQY-OUCADQQQSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C[NH+]1C1CC1 ZINC000636907203 357311009 /nfs/dbraw/zinc/31/10/09/357311009.db2.gz LUXPAJSWVRIAQY-OUCADQQQSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C[NH+]1C1CC1 ZINC000636907203 357311015 /nfs/dbraw/zinc/31/10/15/357311015.db2.gz LUXPAJSWVRIAQY-OUCADQQQSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000636907206 357311432 /nfs/dbraw/zinc/31/14/32/357311432.db2.gz LUXPAJSWVRIAQY-YRGRVCCFSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C[NH+]1C1CC1 ZINC000636907206 357311433 /nfs/dbraw/zinc/31/14/33/357311433.db2.gz LUXPAJSWVRIAQY-YRGRVCCFSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C[NH+]1C1CC1 ZINC000636907206 357311434 /nfs/dbraw/zinc/31/14/34/357311434.db2.gz LUXPAJSWVRIAQY-YRGRVCCFSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000637147224 357325837 /nfs/dbraw/zinc/32/58/37/357325837.db2.gz HALDGVWOVWWLPL-QWRGUYRKSA-N 2 1 258.366 -0.698 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000637283637 357337005 /nfs/dbraw/zinc/33/70/05/357337005.db2.gz WILINDZGILNGJZ-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000637283637 357337008 /nfs/dbraw/zinc/33/70/08/357337008.db2.gz WILINDZGILNGJZ-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000637283637 357337013 /nfs/dbraw/zinc/33/70/13/357337013.db2.gz WILINDZGILNGJZ-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC[NH2+]C2CC2)[C@H](C)C1 ZINC000637316940 357339223 /nfs/dbraw/zinc/33/92/23/357339223.db2.gz JGCLFKQWLHEUPB-VXGBXAGGSA-N 2 1 284.404 -0.165 20 0 CBADMP CC1(C)CN(C(=O)NCC[NH2+]C2CC2)CC[N@H+]1CCO ZINC000637317783 357339380 /nfs/dbraw/zinc/33/93/80/357339380.db2.gz QKESXWAASMPTKL-UHFFFAOYSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000637379112 357341783 /nfs/dbraw/zinc/34/17/83/357341783.db2.gz BOVFDMBWNQGKKC-WOPDTQHZSA-N 2 1 270.377 -0.603 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[N@H+]1C ZINC000637864027 357378421 /nfs/dbraw/zinc/37/84/21/357378421.db2.gz KLTVCFYWXYXYRH-FRRDWIJNSA-N 2 1 268.405 -0.182 20 0 CBADMP CC1(C)CN(C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@H+]1CCO ZINC000637719185 357362385 /nfs/dbraw/zinc/36/23/85/357362385.db2.gz XCYHDCKKPDGZPO-LBPRGKRZSA-N 2 1 284.404 -0.164 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000637864112 357378573 /nfs/dbraw/zinc/37/85/73/357378573.db2.gz MKTQRZBARVFNOY-NSHDSACASA-N 2 1 251.334 -0.707 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)NC1CC[NH2+]CC1 ZINC000637797235 357364353 /nfs/dbraw/zinc/36/43/53/357364353.db2.gz ASMADCAWWFQYFX-UHFFFAOYSA-N 2 1 287.404 -0.161 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCCN1CC[NH2+]CC1 ZINC000637798156 357365665 /nfs/dbraw/zinc/36/56/65/357365665.db2.gz LXGMYHGOGNLGRO-UHFFFAOYSA-N 2 1 265.361 -0.397 20 0 CBADMP CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000637809227 357367897 /nfs/dbraw/zinc/36/78/97/357367897.db2.gz NJZFPHWJKDBXNH-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000637811492 357368414 /nfs/dbraw/zinc/36/84/14/357368414.db2.gz MFKOGCVFGJJSNJ-KGLIPLIRSA-N 2 1 276.384 -0.076 20 0 CBADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000637811492 357368417 /nfs/dbraw/zinc/36/84/17/357368417.db2.gz MFKOGCVFGJJSNJ-KGLIPLIRSA-N 2 1 276.384 -0.076 20 0 CBADMP C[C@@]1(C(=O)N2CC[NH2+]C[C@](C)(F)C2)C[NH2+]CCO1 ZINC000638253464 357444183 /nfs/dbraw/zinc/44/41/83/357444183.db2.gz NZCKOMGJVKLYSI-RYUDHWBXSA-N 2 1 259.325 -0.475 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638047602 357404738 /nfs/dbraw/zinc/40/47/38/357404738.db2.gz IHBFNHXBISWPLR-WCQYABFASA-N 2 1 255.362 -0.035 20 0 CBADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000638048910 357405062 /nfs/dbraw/zinc/40/50/62/357405062.db2.gz WUBDMQHEMWYPTC-TZMCWYRMSA-N 2 1 285.388 -0.408 20 0 CBADMP COCC[NH+]1CCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000638056391 357406071 /nfs/dbraw/zinc/40/60/71/357406071.db2.gz MGKKIYFSNXNHEE-UHFFFAOYSA-N 2 1 255.362 -0.223 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638054446 357406692 /nfs/dbraw/zinc/40/66/92/357406692.db2.gz DHZWTQJCSIIWCN-FRRDWIJNSA-N 2 1 285.388 -0.424 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000638065937 357408939 /nfs/dbraw/zinc/40/89/39/357408939.db2.gz ZUPZUESDDXKCEM-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)CN2CC[NH2+]CC2)C1 ZINC000638070694 357409302 /nfs/dbraw/zinc/40/93/02/357409302.db2.gz UZZILBGYOBPBTO-ZDUSSCGKSA-N 2 1 268.405 -0.260 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000638071035 357409923 /nfs/dbraw/zinc/40/99/23/357409923.db2.gz ZAKDKZJTSPCLJG-CYBMUJFWSA-N 2 1 268.405 -0.118 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000638070096 357410033 /nfs/dbraw/zinc/41/00/33/357410033.db2.gz WXQKHEUYSNJNMN-WCQYABFASA-N 2 1 287.429 -0.082 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000638072271 357410496 /nfs/dbraw/zinc/41/04/96/357410496.db2.gz LWIKYDFWUQBYLY-GVXVVHGQSA-N 2 1 255.362 -0.179 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000638075064 357411214 /nfs/dbraw/zinc/41/12/14/357411214.db2.gz PXNIGZKOAXXJLP-RHYQMDGZSA-N 2 1 253.346 -0.154 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000638077365 357412263 /nfs/dbraw/zinc/41/22/63/357412263.db2.gz RRFNEXPLKSGVJO-MDZLAQPJSA-N 2 1 255.362 -0.036 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000638078181 357412727 /nfs/dbraw/zinc/41/27/27/357412727.db2.gz FAZCUKMSJPWKDX-GVXVVHGQSA-N 2 1 255.362 -0.036 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638084909 357413763 /nfs/dbraw/zinc/41/37/63/357413763.db2.gz HKDZJTZSTALFTE-WCQYABFASA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638084908 357413821 /nfs/dbraw/zinc/41/38/21/357413821.db2.gz HKDZJTZSTALFTE-DGCLKSJQSA-N 2 1 255.362 -0.177 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638090292 357414763 /nfs/dbraw/zinc/41/47/63/357414763.db2.gz HQSZUYHRQWHVRY-LBPRGKRZSA-N 2 1 252.318 -0.314 20 0 CBADMP CC[NH2+][C@H](C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000638090478 357414784 /nfs/dbraw/zinc/41/47/84/357414784.db2.gz XLKQVVWLDAVESF-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638090415 357414967 /nfs/dbraw/zinc/41/49/67/357414967.db2.gz DIGPWXYNVQINRC-UHFFFAOYSA-N 2 1 267.333 -0.757 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@]1(C)C[NH2+]CCO1)C1CC1 ZINC000638097941 357415696 /nfs/dbraw/zinc/41/56/96/357415696.db2.gz XWLZYGCJDKPKOJ-ZDUSSCGKSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638100540 357416994 /nfs/dbraw/zinc/41/69/94/357416994.db2.gz PZIWTPKTVOTGDF-UMVBOHGHSA-N 2 1 299.415 -0.020 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@]2(COC)CCCC[NH2+]2)C1 ZINC000638100840 357417427 /nfs/dbraw/zinc/41/74/27/357417427.db2.gz MWVVRTAAABDXAX-ZFWWWQNUSA-N 2 1 299.415 -0.018 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[NH2+]CCO2)CC[N@H+]1C ZINC000638116151 357421049 /nfs/dbraw/zinc/42/10/49/357421049.db2.gz XLJZPSUKHRBTSE-WZRBSPASSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)CN2CC[NH2+]CC2)C1 ZINC000638124648 357421913 /nfs/dbraw/zinc/42/19/13/357421913.db2.gz BOGJFTVXTYIWGV-LBPRGKRZSA-N 2 1 254.378 -0.650 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[N@H+]1C1CC1 ZINC000638132263 357423417 /nfs/dbraw/zinc/42/34/17/357423417.db2.gz FXJJJCRNRYZQBD-PKZYVASSSA-N 2 1 253.346 -0.156 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638134025 357424366 /nfs/dbraw/zinc/42/43/66/357424366.db2.gz LBNJGQRYYBAEQF-SCDSUCTJSA-N 2 1 267.373 -0.036 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000638138134 357424976 /nfs/dbraw/zinc/42/49/76/357424976.db2.gz WFLIMUFVEOLLJY-OLZOCXBDSA-N 2 1 270.421 -0.016 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)O1 ZINC000638249289 357444040 /nfs/dbraw/zinc/44/40/40/357444040.db2.gz WAUDUZGYQAEUMF-VPOLOUISSA-N 2 1 259.325 -0.478 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)O1 ZINC000638249289 357444044 /nfs/dbraw/zinc/44/40/44/357444044.db2.gz WAUDUZGYQAEUMF-VPOLOUISSA-N 2 1 259.325 -0.478 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)O1 ZINC000638200899 357434313 /nfs/dbraw/zinc/43/43/13/357434313.db2.gz KHOPLJSKKJHBAY-FDYHWXHSSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)O1 ZINC000638200899 357434318 /nfs/dbraw/zinc/43/43/18/357434318.db2.gz KHOPLJSKKJHBAY-FDYHWXHSSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)O1 ZINC000638203999 357434330 /nfs/dbraw/zinc/43/43/30/357434330.db2.gz IADAGONSPNEIHZ-WISYIIOYSA-N 2 1 255.362 -0.086 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)O1 ZINC000638203999 357434338 /nfs/dbraw/zinc/43/43/38/357434338.db2.gz IADAGONSPNEIHZ-WISYIIOYSA-N 2 1 255.362 -0.086 20 0 CBADMP CC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000638222532 357436013 /nfs/dbraw/zinc/43/60/13/357436013.db2.gz OARBFOCUGOZFAW-MNOVXSKESA-N 2 1 265.361 -0.109 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000638264734 357446010 /nfs/dbraw/zinc/44/60/10/357446010.db2.gz JYCUBYFZYJXINN-NSHDSACASA-N 2 1 252.318 -0.314 20 0 CBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638291379 357452867 /nfs/dbraw/zinc/45/28/67/357452867.db2.gz PWLQRAUFOGVAGO-QWHCGFSZSA-N 2 1 299.415 -0.081 20 0 CBADMP O=C(CCC1C[NH2+]C1)NCC[N@H+]1CCCOCC1 ZINC000638293146 357452968 /nfs/dbraw/zinc/45/29/68/357452968.db2.gz HYQGXWBZJPWKCG-UHFFFAOYSA-N 2 1 255.362 -0.176 20 0 CBADMP O=C(CN1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000638330554 357458183 /nfs/dbraw/zinc/45/81/83/357458183.db2.gz VXCDAGVSQCDUDY-AWEZNQCLSA-N 2 1 289.383 -0.540 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638618798 357509340 /nfs/dbraw/zinc/50/93/40/357509340.db2.gz OTAQYMLWZFYDFD-GRYCIOLGSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000638337642 357459460 /nfs/dbraw/zinc/45/94/60/357459460.db2.gz JDUUFXWJELRLBG-SDDRHHMPSA-N 2 1 255.362 -0.179 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)CN1CC[NH2+]CC1 ZINC000638382200 357465131 /nfs/dbraw/zinc/46/51/31/357465131.db2.gz SOUNPEIWYMBLKE-UHFFFAOYSA-N 2 1 270.421 -0.014 20 0 CBADMP O=C(CCC1C[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000638414423 357471739 /nfs/dbraw/zinc/47/17/39/357471739.db2.gz PQFQTLFIWCCFTK-ZDUSSCGKSA-N 2 1 267.373 -0.081 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638507387 357491306 /nfs/dbraw/zinc/49/13/06/357491306.db2.gz DYEKFEOROZWFCB-MXWKQRLJSA-N 2 1 253.346 -0.236 20 0 CBADMP CO[C@@]1(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)CCOC1 ZINC000638547773 357494620 /nfs/dbraw/zinc/49/46/20/357494620.db2.gz CNCSURBWNQSDAT-CQSZACIVSA-N 2 1 285.388 -0.454 20 0 CBADMP CC(C)(O)C[NH+]1CCC(NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000639354712 357569239 /nfs/dbraw/zinc/56/92/39/357569239.db2.gz KUAMQQMXGOMJDQ-CQSZACIVSA-N 2 1 285.432 -0.122 20 0 CBADMP CC(C)(O)C[NH+]1CCC([NH2+]CCN2CC[C@@H](O)C2)CC1 ZINC000639354712 357569242 /nfs/dbraw/zinc/56/92/42/357569242.db2.gz KUAMQQMXGOMJDQ-CQSZACIVSA-N 2 1 285.432 -0.122 20 0 CBADMP C[N@H+]1CCN(CC[NH2+]Cc2cnc(N)nc2N)CC1(C)C ZINC000639135677 357557982 /nfs/dbraw/zinc/55/79/82/357557982.db2.gz HDBBSRXZZOUKJJ-UHFFFAOYSA-N 2 1 293.419 -0.583 20 0 CBADMP C[NH+](C)C[C@]1(O)CCCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000639762204 357596084 /nfs/dbraw/zinc/59/60/84/357596084.db2.gz KSJSLXMSPVBFOF-OAHLLOKOSA-N 2 1 298.431 -0.851 20 0 CBADMP CC(=O)NCCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764034 357596142 /nfs/dbraw/zinc/59/61/42/357596142.db2.gz YTNJQGJUWIRMRF-CYBMUJFWSA-N 2 1 257.378 -0.099 20 0 CBADMP CC(=O)NCCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764034 357596147 /nfs/dbraw/zinc/59/61/47/357596147.db2.gz YTNJQGJUWIRMRF-CYBMUJFWSA-N 2 1 257.378 -0.099 20 0 CBADMP COCCOC[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767850 357596984 /nfs/dbraw/zinc/59/69/84/357596984.db2.gz UESQENGUHNRFNS-KGLIPLIRSA-N 2 1 290.404 -0.601 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767850 357596989 /nfs/dbraw/zinc/59/69/89/357596989.db2.gz UESQENGUHNRFNS-KGLIPLIRSA-N 2 1 290.404 -0.601 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639841666 357602928 /nfs/dbraw/zinc/60/29/28/357602928.db2.gz XLWXCELRGYFZDL-WOPDTQHZSA-N 2 1 282.388 -0.621 20 0 CBADMP CC[NH+]1CCC(NC(=O)CN2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC000639869415 357613648 /nfs/dbraw/zinc/61/36/48/357613648.db2.gz KUJCRMHLSQROHY-CQSZACIVSA-N 2 1 298.431 -0.805 20 0 CBADMP CC[NH+]1CCC(NC(=O)CN2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC000639869415 357613653 /nfs/dbraw/zinc/61/36/53/357613653.db2.gz KUJCRMHLSQROHY-CQSZACIVSA-N 2 1 298.431 -0.805 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945037 357620376 /nfs/dbraw/zinc/62/03/76/357620376.db2.gz RCBIGWLBHMXWLZ-TUKIKUTGSA-N 2 1 297.399 -0.328 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945037 357620379 /nfs/dbraw/zinc/62/03/79/357620379.db2.gz RCBIGWLBHMXWLZ-TUKIKUTGSA-N 2 1 297.399 -0.328 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945037 357620381 /nfs/dbraw/zinc/62/03/81/357620381.db2.gz RCBIGWLBHMXWLZ-TUKIKUTGSA-N 2 1 297.399 -0.328 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640479056 357655611 /nfs/dbraw/zinc/65/56/11/357655611.db2.gz CSTOJYXQADCVEK-AAEUAGOBSA-N 2 1 253.346 -0.783 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640479056 357655617 /nfs/dbraw/zinc/65/56/17/357655617.db2.gz CSTOJYXQADCVEK-AAEUAGOBSA-N 2 1 253.346 -0.783 20 0 CBADMP CC(C[NH+]1C[C@@H]2C[C@]2(O)C1)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640478486 357656026 /nfs/dbraw/zinc/65/60/26/357656026.db2.gz BHYKKTUEBKVYHO-XUXIUFHCSA-N 2 1 252.358 -0.244 20 0 CBADMP C[C@H](CC[N@H+]1C[C@@H]2C[C@]2(O)C1)[NH+]1C[C@@H]2C[C@]2(O)C1 ZINC000640481973 357656595 /nfs/dbraw/zinc/65/65/95/357656595.db2.gz OMGMRNCSMJLWMC-QMVSFRDZSA-N 2 1 252.358 -0.102 20 0 CBADMP C[C@H](CC[NH+]1C[C@@H]2C[C@]2(O)C1)[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640481973 357656597 /nfs/dbraw/zinc/65/65/97/357656597.db2.gz OMGMRNCSMJLWMC-QMVSFRDZSA-N 2 1 252.358 -0.102 20 0 CBADMP C[C@H](CC[NH+]1C[C@@H]2C[C@]2(O)C1)[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640481973 357656599 /nfs/dbraw/zinc/65/65/99/357656599.db2.gz OMGMRNCSMJLWMC-QMVSFRDZSA-N 2 1 252.358 -0.102 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000640676427 357661726 /nfs/dbraw/zinc/66/17/26/357661726.db2.gz JHQIDDCJCNCLSH-BDAKNGLRSA-N 2 1 262.304 -0.026 20 0 CBADMP C[C@H]([NH3+])CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000641493511 357713229 /nfs/dbraw/zinc/71/32/29/357713229.db2.gz NUHVWTZDYSEJQB-WDEREUQCSA-N 2 1 272.393 -0.180 20 0 CBADMP C[N@@H+](C[C@@H](O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1)C1CC1 ZINC000641220887 357681180 /nfs/dbraw/zinc/68/11/80/357681180.db2.gz CPHOUCSXMXKLPH-BXUZGUMPSA-N 2 1 279.388 -0.115 20 0 CBADMP C[N@@H+](C[C@H](O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1)C1CC1 ZINC000641220888 357681795 /nfs/dbraw/zinc/68/17/95/357681795.db2.gz CPHOUCSXMXKLPH-FZMZJTMJSA-N 2 1 279.388 -0.115 20 0 CBADMP COCC[C@H]([NH3+])Cc1cn(C[C@@H](O)C[N@@H+](C)C(C)C)nn1 ZINC000641220756 357681871 /nfs/dbraw/zinc/68/18/71/357681871.db2.gz FHWHPEVMPQJNQF-JSGCOSHPSA-N 2 1 299.419 -0.115 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641220771 357681935 /nfs/dbraw/zinc/68/19/35/357681935.db2.gz FJYFZPDMIHLEGD-AWEZNQCLSA-N 2 1 296.419 -0.616 20 0 CBADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCS(N)(=O)=O ZINC000641797011 357743310 /nfs/dbraw/zinc/74/33/10/357743310.db2.gz PIGILMPMGSOVBP-SNVBAGLBSA-N 2 1 251.396 -0.030 20 0 CBADMP Cn1c(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc(=O)n(C)c1=O ZINC000641803504 357743733 /nfs/dbraw/zinc/74/37/33/357743733.db2.gz GCOWTUQMOQLTON-NXEZZACHSA-N 2 1 266.345 -0.701 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000641805064 357743948 /nfs/dbraw/zinc/74/39/48/357743948.db2.gz MMNXOFBVXGCPDV-FRRDWIJNSA-N 2 1 296.415 -0.171 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641807732 357744222 /nfs/dbraw/zinc/74/42/22/357744222.db2.gz RLTPTPUDCIWHPM-CYZMBNFOSA-N 2 1 296.415 -0.219 20 0 CBADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000641802241 357744349 /nfs/dbraw/zinc/74/43/49/357744349.db2.gz IIWGTZREABNJPD-MNOVXSKESA-N 2 1 255.362 -0.003 20 0 CBADMP NS(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000641818446 357744860 /nfs/dbraw/zinc/74/48/60/357744860.db2.gz FJQFBBZDWSSNLQ-QWRGUYRKSA-N 2 1 261.391 -0.274 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000641824200 357745539 /nfs/dbraw/zinc/74/55/39/357745539.db2.gz FGTBEWFLAYOGQG-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000641824200 357745541 /nfs/dbraw/zinc/74/55/41/357745541.db2.gz FGTBEWFLAYOGQG-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCS(N)(=O)=O)C2 ZINC000641819947 357745600 /nfs/dbraw/zinc/74/56/00/357745600.db2.gz JIEJZUGYNVMBAZ-PHIMTYICSA-N 2 1 261.391 -0.404 20 0 CBADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCCS(N)(=O)=O)C2 ZINC000641819947 357745601 /nfs/dbraw/zinc/74/56/01/357745601.db2.gz JIEJZUGYNVMBAZ-PHIMTYICSA-N 2 1 261.391 -0.404 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641823988 357745640 /nfs/dbraw/zinc/74/56/40/357745640.db2.gz CDARXGZMLLZHDE-QWRGUYRKSA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641823988 357745642 /nfs/dbraw/zinc/74/56/42/357745642.db2.gz CDARXGZMLLZHDE-QWRGUYRKSA-N 2 1 282.388 -0.513 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641824479 357746608 /nfs/dbraw/zinc/74/66/08/357746608.db2.gz JWAMTFZCPQFNIA-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641824479 357746609 /nfs/dbraw/zinc/74/66/09/357746609.db2.gz JWAMTFZCPQFNIA-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC[C@@H]1[NH3+] ZINC000641824812 357746669 /nfs/dbraw/zinc/74/66/69/357746669.db2.gz NBADEJIRLOZGON-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC[C@@H]1[NH3+] ZINC000641824812 357746671 /nfs/dbraw/zinc/74/66/71/357746671.db2.gz NBADEJIRLOZGON-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000641995208 357749029 /nfs/dbraw/zinc/74/90/29/357749029.db2.gz BYEUEOIMWGMYDC-MGPQQGTHSA-N 2 1 295.431 -0.232 20 0 CBADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000641995895 357749947 /nfs/dbraw/zinc/74/99/47/357749947.db2.gz YWWQJAZHHZVMBT-ZDUSSCGKSA-N 2 1 281.404 -0.620 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000641995894 357750090 /nfs/dbraw/zinc/75/00/90/357750090.db2.gz YWWQJAZHHZVMBT-CYBMUJFWSA-N 2 1 281.404 -0.620 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643065046 357776711 /nfs/dbraw/zinc/77/67/11/357776711.db2.gz QWIUTAQJNSZWDK-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000642640204 357757118 /nfs/dbraw/zinc/75/71/18/357757118.db2.gz OTBZRMDSQYUITL-QWHCGFSZSA-N 2 1 298.431 -0.066 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000642718690 357759691 /nfs/dbraw/zinc/75/96/91/357759691.db2.gz HHELTBONFWNCJD-NQBHXWOUSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000642731664 357760171 /nfs/dbraw/zinc/76/01/71/357760171.db2.gz DHUSBUKYKYCTOO-GXSJLCMTSA-N 2 1 298.412 -0.070 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000642732692 357760478 /nfs/dbraw/zinc/76/04/78/357760478.db2.gz QERXACWOGBPTSU-XQQFMLRXSA-N 2 1 298.431 -0.066 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC[NH2+]C1CC1)C1CC1 ZINC000642756022 357761328 /nfs/dbraw/zinc/76/13/28/357761328.db2.gz DDEPMAFCUKUIEC-UHFFFAOYSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642773292 357761532 /nfs/dbraw/zinc/76/15/32/357761532.db2.gz JXOJHXXYYJZSOH-ZDUSSCGKSA-N 2 1 296.415 -0.155 20 0 CBADMP [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000642785842 357762515 /nfs/dbraw/zinc/76/25/15/357762515.db2.gz MSNWDOWVSBVUAS-CHWSQXEVSA-N 2 1 294.399 -0.560 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785654 357762538 /nfs/dbraw/zinc/76/25/38/357762538.db2.gz BGZYXDYABOVZHF-DGCLKSJQSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785780 357762545 /nfs/dbraw/zinc/76/25/45/357762545.db2.gz JPGZPRAGDRUCLL-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC[NH2+]1 ZINC000642785864 357762600 /nfs/dbraw/zinc/76/26/00/357762600.db2.gz OLRKOBNEAAFYMP-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785659 357762730 /nfs/dbraw/zinc/76/27/30/357762730.db2.gz BWYCHDRDYUOSHP-STQMWFEESA-N 2 1 294.399 -0.545 20 0 CBADMP [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000642785651 357762778 /nfs/dbraw/zinc/76/27/78/357762778.db2.gz AXYPCGJEWJNUGQ-STQMWFEESA-N 2 1 294.399 -0.560 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785690 357762800 /nfs/dbraw/zinc/76/28/00/357762800.db2.gz DKWDNCCFRQVODG-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000642940930 357772689 /nfs/dbraw/zinc/77/26/89/357772689.db2.gz IMKZRCARHDXNFI-VXGBXAGGSA-N 2 1 284.404 -0.314 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CCC1 ZINC000642979360 357773641 /nfs/dbraw/zinc/77/36/41/357773641.db2.gz WZMLRUANBGBOIH-UHFFFAOYSA-N 2 1 294.399 -0.319 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCC1 ZINC000642978831 357773747 /nfs/dbraw/zinc/77/37/47/357773747.db2.gz UXIZZPMUHNBXGG-LBPRGKRZSA-N 2 1 294.399 -0.319 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCC1 ZINC000642978831 357773751 /nfs/dbraw/zinc/77/37/51/357773751.db2.gz UXIZZPMUHNBXGG-LBPRGKRZSA-N 2 1 294.399 -0.319 20 0 CBADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000643460786 357783583 /nfs/dbraw/zinc/78/35/83/357783583.db2.gz BFDBJDHCDWLGNV-WDEREUQCSA-N 2 1 263.407 -0.145 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000643468760 357784113 /nfs/dbraw/zinc/78/41/13/357784113.db2.gz UHWWUZGXIYTULY-NEPJUHHUSA-N 2 1 275.418 0.000 20 0 CBADMP C[C@@H](NCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000643472209 357784363 /nfs/dbraw/zinc/78/43/63/357784363.db2.gz HOCQXWWINDZDOG-VXGBXAGGSA-N 2 1 254.378 -0.510 20 0 CBADMP C[N@H+]1CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000643500303 357785910 /nfs/dbraw/zinc/78/59/10/357785910.db2.gz ABLSHPYCSJADGW-RDBSUJKOSA-N 3 1 280.416 -0.119 20 0 CBADMP CNC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105915570 283313205 /nfs/dbraw/zinc/31/32/05/283313205.db2.gz BFDDDGZWGBAPGI-NSHDSACASA-N 2 1 257.378 -0.243 20 0 CBADMP CNC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298878 283388372 /nfs/dbraw/zinc/38/83/72/283388372.db2.gz BJOBPSZDTRWWRU-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000423017942 283510607 /nfs/dbraw/zinc/51/06/07/283510607.db2.gz XNKGVPFHSXLQKK-UHFFFAOYSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000424189327 291211227 /nfs/dbraw/zinc/21/12/27/291211227.db2.gz KMCWSJWWZJXFAX-HLTSFMKQSA-N 2 1 263.288 -0.523 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186720863 283534709 /nfs/dbraw/zinc/53/47/09/283534709.db2.gz AQDDGZOBFFJYJL-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)N1CC[NH+](C)CC1 ZINC000337428103 283580172 /nfs/dbraw/zinc/58/01/72/283580172.db2.gz XTUWGDRUZZWZMI-GXTWGEPZSA-N 2 1 286.420 -0.949 20 0 CBADMP C[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000342092034 216214760 /nfs/dbraw/zinc/21/47/60/216214760.db2.gz VSNZSOFGDCVYMU-LLVKDONJSA-N 2 1 284.404 -0.395 20 0 CBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342104353 216218293 /nfs/dbraw/zinc/21/82/93/216218293.db2.gz NUISSJIJVXKRPW-QJPTWQEYSA-N 2 1 275.418 -0.015 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342104353 216218294 /nfs/dbraw/zinc/21/82/94/216218294.db2.gz NUISSJIJVXKRPW-QJPTWQEYSA-N 2 1 275.418 -0.015 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[N@H+]1C ZINC000419556632 291284813 /nfs/dbraw/zinc/28/48/13/291284813.db2.gz KWTYMLIQUNYINT-RVMXOQNASA-N 2 1 294.399 -0.737 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CCC[N@H+]1C ZINC000419562611 291285100 /nfs/dbraw/zinc/28/51/00/291285100.db2.gz VIRYKIAQZHASQR-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[C@](C)([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000353589342 284004203 /nfs/dbraw/zinc/00/42/03/284004203.db2.gz MDYKARZQBRRKPO-FZMZJTMJSA-N 2 1 284.404 -0.040 20 0 CBADMP O=C([C@H]1CCC[NH2+]C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186650909 296110950 /nfs/dbraw/zinc/11/09/50/296110950.db2.gz OAFSKGFXPYYWQK-QWHCGFSZSA-N 2 1 294.399 -0.591 20 0 CBADMP C[C@@H](NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000422709499 296120698 /nfs/dbraw/zinc/12/06/98/296120698.db2.gz DRVCTDHIQRDSBT-CHWSQXEVSA-N 2 1 268.405 -0.119 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000364598971 296138196 /nfs/dbraw/zinc/13/81/96/296138196.db2.gz JRGXGONQCSKVLR-NWDGAFQWSA-N 2 1 285.413 -0.376 20 0 CBADMP CC[C@H](Cn1cncn1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000330835417 203294809 /nfs/dbraw/zinc/29/48/09/203294809.db2.gz WTBUOOYELDBHCU-VXGBXAGGSA-N 2 1 253.350 -0.287 20 0 CBADMP CC[C@H](Cn1cncn1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000330835417 203294811 /nfs/dbraw/zinc/29/48/11/203294811.db2.gz WTBUOOYELDBHCU-VXGBXAGGSA-N 2 1 253.350 -0.287 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000331686866 204074774 /nfs/dbraw/zinc/07/47/74/204074774.db2.gz SWUQLNHAXXQXPN-QWHCGFSZSA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000331686866 204074775 /nfs/dbraw/zinc/07/47/75/204074775.db2.gz SWUQLNHAXXQXPN-QWHCGFSZSA-N 2 1 294.399 -0.449 20 0 CBADMP COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420295173 284261812 /nfs/dbraw/zinc/26/18/12/284261812.db2.gz PCVBTROOGQLNHR-NWDGAFQWSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420295173 284261817 /nfs/dbraw/zinc/26/18/17/284261817.db2.gz PCVBTROOGQLNHR-NWDGAFQWSA-N 2 1 283.372 -0.308 20 0 CBADMP CCNC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000337321209 214004310 /nfs/dbraw/zinc/00/43/10/214004310.db2.gz BVCIMGMLMYYPKL-UHFFFAOYSA-N 2 1 256.394 -0.308 20 0 CBADMP CCNC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000337321209 214004313 /nfs/dbraw/zinc/00/43/13/214004313.db2.gz BVCIMGMLMYYPKL-UHFFFAOYSA-N 2 1 256.394 -0.308 20 0 CBADMP C[C@H]1CN(C)C[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000344280154 217129864 /nfs/dbraw/zinc/12/98/64/217129864.db2.gz IUZWTNHUVVEZEP-STQMWFEESA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)C1(C[NH3+])CCOCC1 ZINC000344444718 217192249 /nfs/dbraw/zinc/19/22/49/217192249.db2.gz MZCVOTMWAKDXNQ-CYBMUJFWSA-N 2 1 299.415 -0.031 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000344492232 217210496 /nfs/dbraw/zinc/21/04/96/217210496.db2.gz RVDGPJIOPJWFJT-AAEUAGOBSA-N 2 1 285.388 -0.674 20 0 CBADMP C[C@H]1OCC[NH2+][C@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000344492236 217210866 /nfs/dbraw/zinc/21/08/66/217210866.db2.gz RVDGPJIOPJWFJT-DGCLKSJQSA-N 2 1 285.388 -0.674 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000333132205 205055077 /nfs/dbraw/zinc/05/50/77/205055077.db2.gz BWKQDYMDSGSMQF-JSGCOSHPSA-N 2 1 295.431 -0.327 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000068807578 372765274 /nfs/dbraw/zinc/76/52/74/372765274.db2.gz OSDRIHLIJDDXQM-JSGCOSHPSA-N 2 1 268.405 -0.262 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000020521321 372757905 /nfs/dbraw/zinc/75/79/05/372757905.db2.gz GWTOULBEDIKDCG-GFCCVEGCSA-N 2 1 254.378 -0.508 20 0 CBADMP CC[C@@]1(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCC[NH2+]1 ZINC000122160320 372792617 /nfs/dbraw/zinc/79/26/17/372792617.db2.gz FUUSCTCJMWCLAO-JSGCOSHPSA-N 2 1 268.405 -0.119 20 0 CBADMP CNC(=O)NC(=O)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843219 372793433 /nfs/dbraw/zinc/79/34/33/372793433.db2.gz DOWXNSVRVHRNEX-JTQLQIEISA-N 2 1 256.350 -0.284 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000353424514 220075039 /nfs/dbraw/zinc/07/50/39/220075039.db2.gz PNJRJHLYKYPZLY-STQMWFEESA-N 2 1 267.373 -0.177 20 0 CBADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000353425447 220075326 /nfs/dbraw/zinc/07/53/26/220075326.db2.gz KCXDQKRTRJCZLO-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP O=C([C@H]1COCC[NH2+]1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000353424511 220075620 /nfs/dbraw/zinc/07/56/20/220075620.db2.gz PNJRJHLYKYPZLY-CHWSQXEVSA-N 2 1 267.373 -0.177 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)O1 ZINC000094570983 372776512 /nfs/dbraw/zinc/77/65/12/372776512.db2.gz FGSSYTLYDMBKHK-JLLWLGSASA-N 2 1 253.346 -0.154 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000131762306 372798159 /nfs/dbraw/zinc/79/81/59/372798159.db2.gz PRZOKYDPGAKIFI-VHSXEESVSA-N 2 1 268.361 -0.014 20 0 CBADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353441822 220085375 /nfs/dbraw/zinc/08/53/75/220085375.db2.gz QUWURTJYXBPWKS-GHMZBOCLSA-N 2 1 284.404 -0.184 20 0 CBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353441822 220085377 /nfs/dbraw/zinc/08/53/77/220085377.db2.gz QUWURTJYXBPWKS-GHMZBOCLSA-N 2 1 284.404 -0.184 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174720982 372833093 /nfs/dbraw/zinc/83/30/93/372833093.db2.gz HAXJCKNEQWJXMW-UHFFFAOYSA-N 2 1 285.392 -0.989 20 0 CBADMP O=C([C@@H]1CCCC[NH2+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186720330 372847615 /nfs/dbraw/zinc/84/76/15/372847615.db2.gz NPFZZLCTYMZJIF-STQMWFEESA-N 2 1 294.399 -0.449 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000220512244 372870840 /nfs/dbraw/zinc/87/08/40/372870840.db2.gz BKPAWZLPUASSOI-NEPJUHHUSA-N 2 1 254.378 -0.652 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000225340498 372876146 /nfs/dbraw/zinc/87/61/46/372876146.db2.gz PRUJXNHQIKYVMN-LBPRGKRZSA-N 2 1 268.405 -0.133 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000193823359 372861427 /nfs/dbraw/zinc/86/14/27/372861427.db2.gz CRRXNIJSDBSBFE-UHFFFAOYSA-N 2 1 256.350 -0.142 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245947517 372883708 /nfs/dbraw/zinc/88/37/08/372883708.db2.gz XHEPWOJSWKLJRB-CHWSQXEVSA-N 2 1 268.405 -0.038 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246724066 372885165 /nfs/dbraw/zinc/88/51/65/372885165.db2.gz XTGMUTNLIGIQEK-SRVKXCTJSA-N 2 1 257.378 -0.117 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246724066 372885172 /nfs/dbraw/zinc/88/51/72/372885172.db2.gz XTGMUTNLIGIQEK-SRVKXCTJSA-N 2 1 257.378 -0.117 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000261785804 372907100 /nfs/dbraw/zinc/90/71/00/372907100.db2.gz UMHSMCPVWPLLSI-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)C[C@@H]1C ZINC000262446195 372909048 /nfs/dbraw/zinc/90/90/48/372909048.db2.gz VLBWPTBBURUMRS-SRVKXCTJSA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)C[C@@H]1C ZINC000262446195 372909056 /nfs/dbraw/zinc/90/90/56/372909056.db2.gz VLBWPTBBURUMRS-SRVKXCTJSA-N 2 1 269.389 -0.245 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000333358052 205249518 /nfs/dbraw/zinc/24/95/18/205249518.db2.gz KPAWSPRWNXPPPM-UPJWGTAASA-N 2 1 282.388 -0.290 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000333399267 205287501 /nfs/dbraw/zinc/28/75/01/205287501.db2.gz PSXLHODEYUNWFB-RYUDHWBXSA-N 2 1 270.377 -0.242 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)Cn1cc(CN(C)CCC[NH3+])nn1 ZINC000328015114 372972879 /nfs/dbraw/zinc/97/28/79/372972879.db2.gz QXXVAKZUDMQRSM-CYBMUJFWSA-N 2 1 284.408 -0.629 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000331558424 372996392 /nfs/dbraw/zinc/99/63/92/372996392.db2.gz GGBQXIYAIMVTRU-JTQLQIEISA-N 2 1 268.361 -0.094 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332173361 373002615 /nfs/dbraw/zinc/00/26/15/373002615.db2.gz UTEXZTNPKKEPQP-CHWSQXEVSA-N 2 1 294.399 -0.367 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332173361 373002623 /nfs/dbraw/zinc/00/26/23/373002623.db2.gz UTEXZTNPKKEPQP-CHWSQXEVSA-N 2 1 294.399 -0.367 20 0 CBADMP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332203243 373002873 /nfs/dbraw/zinc/00/28/73/373002873.db2.gz DKRBLBJGSWTNBR-NWDGAFQWSA-N 2 1 280.372 -0.757 20 0 CBADMP O=C(NCC[NH+]1CCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000344744871 217297954 /nfs/dbraw/zinc/29/79/54/217297954.db2.gz TULASIKVIUBNLK-GFCCVEGCSA-N 2 1 252.362 -0.802 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[N@H+]1C1CC1 ZINC000333136886 373008267 /nfs/dbraw/zinc/00/82/67/373008267.db2.gz CMBWOBWILPHKJS-LFSVMHDDSA-N 2 1 282.388 -0.414 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333949256 373012851 /nfs/dbraw/zinc/01/28/51/373012851.db2.gz XCDORWGQNQCLDR-UONOGXRCSA-N 2 1 295.431 -0.230 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000342594519 373046287 /nfs/dbraw/zinc/04/62/87/373046287.db2.gz ZPVNOQGDKZOKNA-FRRDWIJNSA-N 2 1 268.405 -0.454 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000342594519 373046290 /nfs/dbraw/zinc/04/62/90/373046290.db2.gz ZPVNOQGDKZOKNA-FRRDWIJNSA-N 2 1 268.405 -0.454 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000342594519 373046296 /nfs/dbraw/zinc/04/62/96/373046296.db2.gz ZPVNOQGDKZOKNA-FRRDWIJNSA-N 2 1 268.405 -0.454 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH+](C)C)C1 ZINC000353553271 220153255 /nfs/dbraw/zinc/15/32/55/220153255.db2.gz QURMMSWGPDIBEB-NEPJUHHUSA-N 2 1 272.393 -0.044 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351558711 373097901 /nfs/dbraw/zinc/09/79/01/373097901.db2.gz SFMMPPDWYLOHLW-LLVKDONJSA-N 2 1 270.377 -0.689 20 0 CBADMP COC[C@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000354909134 373120389 /nfs/dbraw/zinc/12/03/89/373120389.db2.gz RNEYTLUPVVXOBD-CYBMUJFWSA-N 2 1 288.388 -0.847 20 0 CBADMP C[C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)[NH+]1CCC(C)CC1 ZINC000353564235 220160154 /nfs/dbraw/zinc/16/01/54/220160154.db2.gz PBSOXKOWYMIFGV-WDEREUQCSA-N 2 1 270.377 -0.574 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000360482101 373197289 /nfs/dbraw/zinc/19/72/89/373197289.db2.gz CTILALJTQUDCMO-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000360482101 373197299 /nfs/dbraw/zinc/19/72/99/373197299.db2.gz CTILALJTQUDCMO-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCSC)C1 ZINC000353581241 220172872 /nfs/dbraw/zinc/17/28/72/220172872.db2.gz NJKDIMSOWOEYBI-QWRGUYRKSA-N 2 1 275.418 -0.096 20 0 CBADMP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1COCC[NH2+]1 ZINC000361077695 373261531 /nfs/dbraw/zinc/26/15/31/373261531.db2.gz CUUFVRLEUJZBQT-TUAOUCFPSA-N 2 1 253.346 -0.521 20 0 CBADMP CCC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000353585568 220174609 /nfs/dbraw/zinc/17/46/09/220174609.db2.gz AOWSECBCHCEWIW-GHMZBOCLSA-N 2 1 270.377 -0.430 20 0 CBADMP CC[NH+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000333644203 205542652 /nfs/dbraw/zinc/54/26/52/205542652.db2.gz IUIQTTKNKKMHTP-LBPRGKRZSA-N 2 1 270.377 -0.288 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362763853 373443883 /nfs/dbraw/zinc/44/38/83/373443883.db2.gz WTTKQXRTKJGJIP-CHWSQXEVSA-N 2 1 269.389 -0.025 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362763853 373443885 /nfs/dbraw/zinc/44/38/85/373443885.db2.gz WTTKQXRTKJGJIP-CHWSQXEVSA-N 2 1 269.389 -0.025 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000362768634 373447623 /nfs/dbraw/zinc/44/76/23/373447623.db2.gz FXMCQSAJGUSFBZ-STQMWFEESA-N 2 1 296.415 -0.536 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000362768634 373447631 /nfs/dbraw/zinc/44/76/31/373447631.db2.gz FXMCQSAJGUSFBZ-STQMWFEESA-N 2 1 296.415 -0.536 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000363738907 373505633 /nfs/dbraw/zinc/50/56/33/373505633.db2.gz IICOHXHVJMQKJX-YPMHNXCESA-N 2 1 255.362 -0.320 20 0 CBADMP NC(=O)C[N@@H+]1CCCN(c2ncnc3[nH]ccc32)CC1 ZINC000364104304 373519232 /nfs/dbraw/zinc/51/92/32/373519232.db2.gz RUYPAVPNLMXTDE-UHFFFAOYSA-N 2 1 274.328 -0.045 20 0 CBADMP CCOC(=O)[C@@](C)(O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000365851625 373525543 /nfs/dbraw/zinc/52/55/43/373525543.db2.gz WMOBSHHAMHQTCS-LOWVWBTDSA-N 2 1 256.346 -0.206 20 0 CBADMP CCOC(=O)[C@@](C)(O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000365851625 373525550 /nfs/dbraw/zinc/52/55/50/373525550.db2.gz WMOBSHHAMHQTCS-LOWVWBTDSA-N 2 1 256.346 -0.206 20 0 CBADMP CCOC(=O)[C@@](C)(O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000365851625 373525555 /nfs/dbraw/zinc/52/55/55/373525555.db2.gz WMOBSHHAMHQTCS-LOWVWBTDSA-N 2 1 256.346 -0.206 20 0 CBADMP CCOC(=O)[C@@](C)(O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000365851625 373525560 /nfs/dbraw/zinc/52/55/60/373525560.db2.gz WMOBSHHAMHQTCS-LOWVWBTDSA-N 2 1 256.346 -0.206 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH2+]CC1 ZINC000394314212 373580777 /nfs/dbraw/zinc/58/07/77/373580777.db2.gz RKDNGJZTVGIWPQ-OLZOCXBDSA-N 2 1 294.399 -0.497 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399020666 373583845 /nfs/dbraw/zinc/58/38/45/373583845.db2.gz HYBQESNMEVCBCW-NWDGAFQWSA-N 2 1 254.378 -0.524 20 0 CBADMP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)CN(C)C ZINC000367426463 373537965 /nfs/dbraw/zinc/53/79/65/373537965.db2.gz OUUDOMMYDWFZBE-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)NC(N)=O)C2)CC1 ZINC000374155512 373561602 /nfs/dbraw/zinc/56/16/02/373561602.db2.gz BIBXBPDRCZAFHS-UHFFFAOYSA-N 2 1 268.361 -0.011 20 0 CBADMP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1CCC[NH+]1C ZINC000416295679 373625180 /nfs/dbraw/zinc/62/51/80/373625180.db2.gz MVAILHIIZPGNCP-UPJWGTAASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1CCC[NH+]1C ZINC000416295679 373625192 /nfs/dbraw/zinc/62/51/92/373625192.db2.gz MVAILHIIZPGNCP-UPJWGTAASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000416295679 373625195 /nfs/dbraw/zinc/62/51/95/373625195.db2.gz MVAILHIIZPGNCP-UPJWGTAASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000416295679 373625197 /nfs/dbraw/zinc/62/51/97/373625197.db2.gz MVAILHIIZPGNCP-UPJWGTAASA-N 2 1 269.389 -0.006 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417438625 373627753 /nfs/dbraw/zinc/62/77/53/373627753.db2.gz JXRXCKIWDCOQIG-NSHDSACASA-N 2 1 258.366 -0.432 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417442549 373628184 /nfs/dbraw/zinc/62/81/84/373628184.db2.gz VBNDEMPBFFWZND-AWEZNQCLSA-N 2 1 284.404 -0.040 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417437000 373628599 /nfs/dbraw/zinc/62/85/99/373628599.db2.gz GAUYMIZFVYIXDL-OLZOCXBDSA-N 2 1 284.404 -0.185 20 0 CBADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)C[C@H](C)[N@@H+]1CCO ZINC000418378876 373631049 /nfs/dbraw/zinc/63/10/49/373631049.db2.gz JWBKSMLLUGJQPG-GRYCIOLGSA-N 2 1 270.377 -0.555 20 0 CBADMP [NH3+]C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000418405948 373631675 /nfs/dbraw/zinc/63/16/75/373631675.db2.gz RTNDMBUQXPXNSB-STQMWFEESA-N 2 1 284.404 -0.130 20 0 CBADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000418708951 373633665 /nfs/dbraw/zinc/63/36/65/373633665.db2.gz UOJLMFFCZNIFSH-WRWGMCAJSA-N 2 1 272.393 -0.181 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419032398 373635966 /nfs/dbraw/zinc/63/59/66/373635966.db2.gz WMQLSZWONGXIHN-AVGNSLFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C[N@H+]1C1CC1 ZINC000419324556 373638470 /nfs/dbraw/zinc/63/84/70/373638470.db2.gz VRQAZFBAGZQEMT-MNOVXSKESA-N 2 1 294.399 -0.275 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419775212 373641622 /nfs/dbraw/zinc/64/16/22/373641622.db2.gz KSJPGVHLBXIJCT-JTQLQIEISA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419887564 373643866 /nfs/dbraw/zinc/64/38/66/373643866.db2.gz QPPNKEBWVFSVRR-XQQFMLRXSA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000420006721 373647092 /nfs/dbraw/zinc/64/70/92/373647092.db2.gz RHOSNKNBCITLQL-RYUDHWBXSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000420006721 373647095 /nfs/dbraw/zinc/64/70/95/373647095.db2.gz RHOSNKNBCITLQL-RYUDHWBXSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@@H+]1C ZINC000420058950 373647889 /nfs/dbraw/zinc/64/78/89/373647889.db2.gz JHRXDOMHZKKQPB-QWHCGFSZSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@H+]1C ZINC000420058950 373647895 /nfs/dbraw/zinc/64/78/95/373647895.db2.gz JHRXDOMHZKKQPB-QWHCGFSZSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)C(C)C ZINC000420103305 373648501 /nfs/dbraw/zinc/64/85/01/373648501.db2.gz PGIKMFMWANTQAD-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC[N@@H+]1C ZINC000423604176 373659134 /nfs/dbraw/zinc/65/91/34/373659134.db2.gz HWDHUYAYVUOSIV-CHWSQXEVSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC[N@H+]1C ZINC000423604176 373659142 /nfs/dbraw/zinc/65/91/42/373659142.db2.gz HWDHUYAYVUOSIV-CHWSQXEVSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C1 ZINC000423666456 373660893 /nfs/dbraw/zinc/66/08/93/373660893.db2.gz LXGOAEMCSDPGPP-XQHKEYJVSA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C1 ZINC000423666456 373660899 /nfs/dbraw/zinc/66/08/99/373660899.db2.gz LXGOAEMCSDPGPP-XQHKEYJVSA-N 2 1 296.415 -0.267 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC[N@@H+]1C ZINC000423723158 373663696 /nfs/dbraw/zinc/66/36/96/373663696.db2.gz QGHDYCRLXUYUBC-VXGBXAGGSA-N 2 1 284.404 -0.409 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC[N@H+]1C ZINC000423723158 373663707 /nfs/dbraw/zinc/66/37/07/373663707.db2.gz QGHDYCRLXUYUBC-VXGBXAGGSA-N 2 1 284.404 -0.409 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000424170271 373666222 /nfs/dbraw/zinc/66/62/22/373666222.db2.gz JBXUQKHZQSYAQT-YNEHKIRRSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC000427472898 373669135 /nfs/dbraw/zinc/66/91/35/373669135.db2.gz SUJGKOZEPBYRLN-JSGCOSHPSA-N 2 1 267.373 -0.204 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1 ZINC000427472898 373669145 /nfs/dbraw/zinc/66/91/45/373669145.db2.gz SUJGKOZEPBYRLN-JSGCOSHPSA-N 2 1 267.373 -0.204 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)C1 ZINC000427472898 373669152 /nfs/dbraw/zinc/66/91/52/373669152.db2.gz SUJGKOZEPBYRLN-JSGCOSHPSA-N 2 1 267.373 -0.204 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000426308847 373669404 /nfs/dbraw/zinc/66/94/04/373669404.db2.gz GQZKIAKPSPVWJB-ZIAGYGMSSA-N 2 1 280.416 -0.025 20 0 CBADMP CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3ccnn3)C2)CC1 ZINC000514933337 373770645 /nfs/dbraw/zinc/77/06/45/373770645.db2.gz LCOSKUXFEQUYMF-CYBMUJFWSA-N 2 1 292.387 -0.311 20 0 CBADMP CN1CCN(C(=O)C[N@H+]2CCC[C@@H](n3ccnn3)C2)CC1 ZINC000514933337 373770653 /nfs/dbraw/zinc/77/06/53/373770653.db2.gz LCOSKUXFEQUYMF-CYBMUJFWSA-N 2 1 292.387 -0.311 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000493766424 373729126 /nfs/dbraw/zinc/72/91/26/373729126.db2.gz JIZUTZMODSVVBV-GARJFASQSA-N 2 1 270.377 -0.574 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)/C=C\C[NH+](C)C ZINC000493800888 373731390 /nfs/dbraw/zinc/73/13/90/373731390.db2.gz DBQSAEODGCIAEY-RXNFCKPNSA-N 2 1 255.362 -0.371 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)/C=C\C[NH+](C)C ZINC000493800888 373731397 /nfs/dbraw/zinc/73/13/97/373731397.db2.gz DBQSAEODGCIAEY-RXNFCKPNSA-N 2 1 255.362 -0.371 20 0 CBADMP COC[C@@]1(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000516293529 373808776 /nfs/dbraw/zinc/80/87/76/373808776.db2.gz IVVFZBRSTXRFHV-ZFWWWQNUSA-N 2 1 298.431 -0.493 20 0 CBADMP COC[C@]1(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000516293524 373809964 /nfs/dbraw/zinc/80/99/64/373809964.db2.gz IVVFZBRSTXRFHV-DZGCQCFKSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000515224660 373779714 /nfs/dbraw/zinc/77/97/14/373779714.db2.gz WYSMKDYLTXDPPL-WXHSDQCUSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000515302452 373781480 /nfs/dbraw/zinc/78/14/80/373781480.db2.gz UXBBQYFJWQVWBS-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000524466079 373885788 /nfs/dbraw/zinc/88/57/88/373885788.db2.gz NXOOOGUSRZDAPK-OCCSQVGLSA-N 2 1 295.431 -0.232 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000524466079 373885794 /nfs/dbraw/zinc/88/57/94/373885794.db2.gz NXOOOGUSRZDAPK-OCCSQVGLSA-N 2 1 295.431 -0.232 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000524466079 373885800 /nfs/dbraw/zinc/88/58/00/373885800.db2.gz NXOOOGUSRZDAPK-OCCSQVGLSA-N 2 1 295.431 -0.232 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC[NH+]1CC=CCC1 ZINC000525990027 373893019 /nfs/dbraw/zinc/89/30/19/373893019.db2.gz GJKQPPGJQWIMCN-AWEZNQCLSA-N 2 1 295.431 -0.207 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000525990027 373893026 /nfs/dbraw/zinc/89/30/26/373893026.db2.gz GJKQPPGJQWIMCN-AWEZNQCLSA-N 2 1 295.431 -0.207 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000525990027 373893037 /nfs/dbraw/zinc/89/30/37/373893037.db2.gz GJKQPPGJQWIMCN-AWEZNQCLSA-N 2 1 295.431 -0.207 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)C1 ZINC000521269933 373840918 /nfs/dbraw/zinc/84/09/18/373840918.db2.gz GTYQPCDYFGTAFB-ZFWWWQNUSA-N 2 1 297.399 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)C1 ZINC000521269933 373840924 /nfs/dbraw/zinc/84/09/24/373840924.db2.gz GTYQPCDYFGTAFB-ZFWWWQNUSA-N 2 1 297.399 -0.720 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000521986556 373854017 /nfs/dbraw/zinc/85/40/17/373854017.db2.gz LNVUHBLYANQEMA-MNOVXSKESA-N 2 1 282.388 -0.689 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000522102671 373860387 /nfs/dbraw/zinc/86/03/87/373860387.db2.gz RJPGIHHWAWBYHK-UONOGXRCSA-N 2 1 297.447 -0.127 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000522102671 373860395 /nfs/dbraw/zinc/86/03/95/373860395.db2.gz RJPGIHHWAWBYHK-UONOGXRCSA-N 2 1 297.447 -0.127 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000522102671 373860403 /nfs/dbraw/zinc/86/04/03/373860403.db2.gz RJPGIHHWAWBYHK-UONOGXRCSA-N 2 1 297.447 -0.127 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000522138504 373862290 /nfs/dbraw/zinc/86/22/90/373862290.db2.gz UQVJJQVXSDGCCS-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000522138504 373862294 /nfs/dbraw/zinc/86/22/94/373862294.db2.gz UQVJJQVXSDGCCS-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000522138504 373862302 /nfs/dbraw/zinc/86/23/02/373862302.db2.gz UQVJJQVXSDGCCS-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000527252925 373909226 /nfs/dbraw/zinc/90/92/26/373909226.db2.gz CKHSINFDUVIDIL-RWMBFGLXSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000527252925 373909235 /nfs/dbraw/zinc/90/92/35/373909235.db2.gz CKHSINFDUVIDIL-RWMBFGLXSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](C)C1 ZINC000527252925 373909246 /nfs/dbraw/zinc/90/92/46/373909246.db2.gz CKHSINFDUVIDIL-RWMBFGLXSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](C)C1 ZINC000527252925 373909253 /nfs/dbraw/zinc/90/92/53/373909253.db2.gz CKHSINFDUVIDIL-RWMBFGLXSA-N 2 1 269.389 -0.148 20 0 CBADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000529297264 374000239 /nfs/dbraw/zinc/00/02/39/374000239.db2.gz HWNCBEVPGCCXQM-AGIUHOORSA-N 2 1 282.388 -0.099 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000353667958 220242290 /nfs/dbraw/zinc/24/22/90/220242290.db2.gz LEGABXRWLHFTSV-CYBMUJFWSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529347756 374009061 /nfs/dbraw/zinc/00/90/61/374009061.db2.gz BJKYEPGOMFXHLL-CHWSQXEVSA-N 2 1 296.415 -0.021 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529347756 374009070 /nfs/dbraw/zinc/00/90/70/374009070.db2.gz BJKYEPGOMFXHLL-CHWSQXEVSA-N 2 1 296.415 -0.021 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529354182 374010004 /nfs/dbraw/zinc/01/00/04/374010004.db2.gz JUEQARZSUSBKFB-DGCLKSJQSA-N 2 1 282.388 -0.363 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529376355 374017263 /nfs/dbraw/zinc/01/72/63/374017263.db2.gz BZNOKDXKTZIWNV-RYUDHWBXSA-N 2 1 270.377 -0.290 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529378561 374020655 /nfs/dbraw/zinc/02/06/55/374020655.db2.gz IYQPSEMANKPNEA-OLZOCXBDSA-N 2 1 284.404 -0.042 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528755768 373983121 /nfs/dbraw/zinc/98/31/21/373983121.db2.gz UXTOERANRWGBFM-MCIONIFRSA-N 2 1 274.405 -0.388 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528755768 373983126 /nfs/dbraw/zinc/98/31/26/373983126.db2.gz UXTOERANRWGBFM-MCIONIFRSA-N 2 1 274.405 -0.388 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528755768 373983140 /nfs/dbraw/zinc/98/31/40/373983140.db2.gz UXTOERANRWGBFM-MCIONIFRSA-N 2 1 274.405 -0.388 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528755768 373983146 /nfs/dbraw/zinc/98/31/46/373983146.db2.gz UXTOERANRWGBFM-MCIONIFRSA-N 2 1 274.405 -0.388 20 0 CBADMP CC(C)[C@@H]1CNCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000530228975 374069551 /nfs/dbraw/zinc/06/95/51/374069551.db2.gz JQTAGPYYIPXTSE-ZDUSSCGKSA-N 2 1 268.405 -0.262 20 0 CBADMP CC(C)[C@@H]1CNCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000530228975 374069556 /nfs/dbraw/zinc/06/95/56/374069556.db2.gz JQTAGPYYIPXTSE-ZDUSSCGKSA-N 2 1 268.405 -0.262 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000530242291 374069896 /nfs/dbraw/zinc/06/98/96/374069896.db2.gz BKSHRBAVAURFPA-OAHLLOKOSA-N 2 1 296.415 -0.344 20 0 CBADMP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000530242291 374069898 /nfs/dbraw/zinc/06/98/98/374069898.db2.gz BKSHRBAVAURFPA-OAHLLOKOSA-N 2 1 296.415 -0.344 20 0 CBADMP O=C(NCCN1CCOCC1)NCC[N@@H+]1CC=CCC1 ZINC000530526684 374085331 /nfs/dbraw/zinc/08/53/31/374085331.db2.gz LCHLBWMBJIEKNK-UHFFFAOYSA-N 2 1 282.388 -0.120 20 0 CBADMP C[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000577850997 374340552 /nfs/dbraw/zinc/34/05/52/374340552.db2.gz WVIVUBKBPDUUMM-OLZOCXBDSA-N 2 1 268.405 -0.262 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000584478413 374375363 /nfs/dbraw/zinc/37/53/63/374375363.db2.gz RJOLEOLFPYXGRF-XQQFMLRXSA-N 2 1 260.378 -0.324 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000584478413 374375368 /nfs/dbraw/zinc/37/53/68/374375368.db2.gz RJOLEOLFPYXGRF-XQQFMLRXSA-N 2 1 260.378 -0.324 20 0 CBADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)N(C)CC(=O)OC)C1 ZINC000577953373 374347215 /nfs/dbraw/zinc/34/72/15/374347215.db2.gz LEMCQAATLKBRPU-GFCCVEGCSA-N 2 1 285.388 -0.061 20 0 CBADMP C[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000606347540 374380062 /nfs/dbraw/zinc/38/00/62/374380062.db2.gz APKJZTGTFPGTEQ-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644129657 374490764 /nfs/dbraw/zinc/49/07/64/374490764.db2.gz BOBTVDYYYYSUFV-MNOVXSKESA-N 2 1 277.372 -0.109 20 0 CBADMP CN(C)CC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000644226684 374505310 /nfs/dbraw/zinc/50/53/10/374505310.db2.gz ASUZMDHXDCQAFW-TUAOUCFPSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+](C)CC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000644226684 374505324 /nfs/dbraw/zinc/50/53/24/374505324.db2.gz ASUZMDHXDCQAFW-TUAOUCFPSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000644543652 374593132 /nfs/dbraw/zinc/59/31/32/374593132.db2.gz GYHQDYDJHUUCTB-KKOKHZNYSA-N 2 1 253.346 -0.426 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000644563512 374595291 /nfs/dbraw/zinc/59/52/91/374595291.db2.gz UCKRQNSCLPLHRW-SECBINFHSA-N 2 1 283.294 -0.337 20 0 CBADMP CC1(C)C[NH2+][C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000645186403 374648025 /nfs/dbraw/zinc/64/80/25/374648025.db2.gz DJATXTBXQFRPLT-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@H+]1CCN(CCNC(=O)N[C@H]2CC[NH2+]C2)CC1(C)C ZINC000574533424 335027930 /nfs/dbraw/zinc/02/79/30/335027930.db2.gz JJKQKYVGCSWLIG-LBPRGKRZSA-N 2 1 283.420 -0.327 20 0 CBADMP CC(C)([NH3+])CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000645869608 374709783 /nfs/dbraw/zinc/70/97/83/374709783.db2.gz LTWVXTDMKXUCCW-LLVKDONJSA-N 2 1 284.404 -0.183 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645951648 374717640 /nfs/dbraw/zinc/71/76/40/374717640.db2.gz VEUJLCYBLUBCSL-GHMZBOCLSA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000646003032 374725463 /nfs/dbraw/zinc/72/54/63/374725463.db2.gz OGFIVRHDPYCLJQ-NWDGAFQWSA-N 2 1 254.378 -0.428 20 0 CBADMP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009605 374726583 /nfs/dbraw/zinc/72/65/83/374726583.db2.gz WUBYQWGQCKGXJG-OLZOCXBDSA-N 2 1 284.404 -0.754 20 0 CBADMP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009583 374726618 /nfs/dbraw/zinc/72/66/18/374726618.db2.gz VMSMWESSEDXHBY-ZIAGYGMSSA-N 2 1 298.431 -0.364 20 0 CBADMP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009607 374727665 /nfs/dbraw/zinc/72/76/65/374727665.db2.gz WUBYQWGQCKGXJG-STQMWFEESA-N 2 1 284.404 -0.754 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)CCOC1C[NH2+]C1 ZINC000646061852 374736351 /nfs/dbraw/zinc/73/63/51/374736351.db2.gz UORTVSGNIOQLNX-UHFFFAOYSA-N 2 1 298.431 -0.539 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000646077552 374738234 /nfs/dbraw/zinc/73/82/34/374738234.db2.gz WTKZZIXMQNCYNR-WISYIIOYSA-N 2 1 255.362 -0.038 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000646243082 374762328 /nfs/dbraw/zinc/76/23/28/374762328.db2.gz XNUUCUPQYLDAEL-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000646077549 374738695 /nfs/dbraw/zinc/73/86/95/374738695.db2.gz WTKZZIXMQNCYNR-FIQHERPVSA-N 2 1 255.362 -0.038 20 0 CBADMP C[N@@H+]1CCCC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000646637771 374798057 /nfs/dbraw/zinc/79/80/57/374798057.db2.gz AULLWWXQSJSIOC-LLVKDONJSA-N 2 1 268.361 -0.981 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000646637771 374798065 /nfs/dbraw/zinc/79/80/65/374798065.db2.gz AULLWWXQSJSIOC-LLVKDONJSA-N 2 1 268.361 -0.981 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000646652728 374801047 /nfs/dbraw/zinc/80/10/47/374801047.db2.gz XMSCCSCGJSTZBZ-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000646652728 374801051 /nfs/dbraw/zinc/80/10/51/374801051.db2.gz XMSCCSCGJSTZBZ-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000646667148 374802107 /nfs/dbraw/zinc/80/21/07/374802107.db2.gz SMQXCWGMLVIAET-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000646667147 374802274 /nfs/dbraw/zinc/80/22/74/374802274.db2.gz SMQXCWGMLVIAET-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP O=C(C[C@@H]1CC[NH2+]C1)NCC[N@H+]1CCCOCC1 ZINC000646504174 374783010 /nfs/dbraw/zinc/78/30/10/374783010.db2.gz XAPNLEBITKIYIS-LBPRGKRZSA-N 2 1 255.362 -0.176 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000647086622 374884779 /nfs/dbraw/zinc/88/47/79/374884779.db2.gz MUCKEFBJZJIYDN-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)N1CC[NH+](C)CC1 ZINC000646936986 374844036 /nfs/dbraw/zinc/84/40/36/374844036.db2.gz CMSXDFGUGDITKL-HZSPNIEDSA-N 2 1 280.416 -0.215 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)N1CC[NH+](C)CC1 ZINC000646936986 374844040 /nfs/dbraw/zinc/84/40/40/374844040.db2.gz CMSXDFGUGDITKL-HZSPNIEDSA-N 2 1 280.416 -0.215 20 0 CBADMP O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000646975057 374853780 /nfs/dbraw/zinc/85/37/80/374853780.db2.gz WNIFDOFQOMVGKD-OLZOCXBDSA-N 2 1 294.399 -0.591 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000646974913 374853980 /nfs/dbraw/zinc/85/39/80/374853980.db2.gz LZINHZKOMFMTFS-XQQFMLRXSA-N 2 1 294.399 -0.593 20 0 CBADMP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000646975050 374854825 /nfs/dbraw/zinc/85/48/25/374854825.db2.gz WLXASAOCMONBNH-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+]([C@@H](C)CO)CC2)C1 ZINC000356968618 248304319 /nfs/dbraw/zinc/30/43/19/248304319.db2.gz BXNSSKPAEOIPFZ-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+]([C@@H](C)CO)CC2)C1 ZINC000356968618 248304322 /nfs/dbraw/zinc/30/43/22/248304322.db2.gz BXNSSKPAEOIPFZ-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)C1 ZINC000356968618 248304324 /nfs/dbraw/zinc/30/43/24/248304324.db2.gz BXNSSKPAEOIPFZ-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)C1 ZINC000356968618 248304327 /nfs/dbraw/zinc/30/43/27/248304327.db2.gz BXNSSKPAEOIPFZ-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP [NH3+]CCOCC[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000357087050 248318464 /nfs/dbraw/zinc/31/84/64/248318464.db2.gz VRJUBZOZIKYUKO-UHFFFAOYSA-N 2 1 253.350 -0.497 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000357086255 248319278 /nfs/dbraw/zinc/31/92/78/248319278.db2.gz UGDMWBSFMMAMSK-ZDUSSCGKSA-N 2 1 285.388 -0.325 20 0 CBADMP CC[N@H+](CCOCC[NH3+])[C@H](C)CS(C)(=O)=O ZINC000357076915 248320047 /nfs/dbraw/zinc/32/00/47/248320047.db2.gz PUFVFEIFAOPHBU-SNVBAGLBSA-N 2 1 252.380 -0.283 20 0 CBADMP CC[N@@H+](CCOCC[NH3+])[C@H](C)CS(C)(=O)=O ZINC000357076915 248320050 /nfs/dbraw/zinc/32/00/50/248320050.db2.gz PUFVFEIFAOPHBU-SNVBAGLBSA-N 2 1 252.380 -0.283 20 0 CBADMP CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000357100416 248322557 /nfs/dbraw/zinc/32/25/57/248322557.db2.gz FILAHZPYLDKELR-GFCCVEGCSA-N 2 1 293.433 -0.245 20 0 CBADMP C[C@@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000357181128 248331448 /nfs/dbraw/zinc/33/14/48/248331448.db2.gz WPVQZGOBOPABBE-WDEREUQCSA-N 2 1 270.377 -0.715 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)C[NH+]1CCOCC1 ZINC000357205237 248333614 /nfs/dbraw/zinc/33/36/14/248333614.db2.gz VAAFEDXZGMNKRS-QWHCGFSZSA-N 2 1 285.388 -0.551 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000357243076 248337644 /nfs/dbraw/zinc/33/76/44/248337644.db2.gz PYLFDCUVCVZTLT-NEPJUHHUSA-N 2 1 271.361 -0.798 20 0 CBADMP C[NH2+]CCC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000357249329 248339528 /nfs/dbraw/zinc/33/95/28/248339528.db2.gz RZZFWWFNBDTTTH-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(COC)CCC[NH2+]2)C1 ZINC000357268906 248343437 /nfs/dbraw/zinc/34/34/37/248343437.db2.gz HHPRQKNHCKQUPJ-GXTWGEPZSA-N 2 1 285.388 -0.408 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@]2(COC)CCC[NH2+]2)C1 ZINC000357268906 248343441 /nfs/dbraw/zinc/34/34/41/248343441.db2.gz HHPRQKNHCKQUPJ-GXTWGEPZSA-N 2 1 285.388 -0.408 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(COC)CCC[NH2+]2)C1 ZINC000357268918 248343532 /nfs/dbraw/zinc/34/35/32/248343532.db2.gz HHPRQKNHCKQUPJ-TZMCWYRMSA-N 2 1 285.388 -0.408 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(COC)CCC[NH2+]2)C1 ZINC000357268918 248343538 /nfs/dbraw/zinc/34/35/38/248343538.db2.gz HHPRQKNHCKQUPJ-TZMCWYRMSA-N 2 1 285.388 -0.408 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C1CC[NH+](CCO)CC1 ZINC000357336632 248351809 /nfs/dbraw/zinc/35/18/09/248351809.db2.gz RKIKGFHEIUBDGL-UHFFFAOYSA-N 2 1 298.431 -0.851 20 0 CBADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(=O)n(C)c1=O ZINC000346863709 218040675 /nfs/dbraw/zinc/04/06/75/218040675.db2.gz XYUWUDZNQNBZEI-WCFLWFBJSA-N 2 1 292.383 -0.357 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCCOCC1 ZINC000353694333 220260220 /nfs/dbraw/zinc/26/02/20/220260220.db2.gz CYEUILZJSDCNKO-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCCOCC1 ZINC000353694333 220260224 /nfs/dbraw/zinc/26/02/24/220260224.db2.gz CYEUILZJSDCNKO-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000353694333 220260230 /nfs/dbraw/zinc/26/02/30/220260230.db2.gz CYEUILZJSDCNKO-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000353694333 220260236 /nfs/dbraw/zinc/26/02/36/220260236.db2.gz CYEUILZJSDCNKO-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[C@@H](NC(=O)[C@@H]([NH3+])CC(N)=O)C(C)(C)C[NH+](C)C ZINC000353699428 220265342 /nfs/dbraw/zinc/26/53/42/220265342.db2.gz HEDCYVIZFMZSIL-BDAKNGLRSA-N 2 1 258.366 -0.718 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)[NH3+])CC1 ZINC000347476689 218248710 /nfs/dbraw/zinc/24/87/10/218248710.db2.gz OZCVILYCSLJRBW-JTQLQIEISA-N 2 1 270.377 -0.560 20 0 CBADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CNC(=O)C[NH3+])C1 ZINC000347611097 218289179 /nfs/dbraw/zinc/28/91/79/218289179.db2.gz GSNYHKCGPSYGHI-NSHDSACASA-N 2 1 293.371 -0.316 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000347663269 218310797 /nfs/dbraw/zinc/31/07/97/218310797.db2.gz GNSPRDWBLQFBGW-NSHDSACASA-N 2 1 270.377 -0.845 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000347797413 218361448 /nfs/dbraw/zinc/36/14/48/218361448.db2.gz ZGBAYUJZJROPBD-CYBMUJFWSA-N 2 1 287.404 -0.615 20 0 CBADMP CC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000167212761 207397374 /nfs/dbraw/zinc/39/73/74/207397374.db2.gz IACHLJUKXVNHCI-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)CCC[NH3+])CC1 ZINC000178700739 207420468 /nfs/dbraw/zinc/42/04/68/207420468.db2.gz BICRRUPHMRMNQA-UHFFFAOYSA-N 2 1 256.350 -0.994 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000417701553 207559892 /nfs/dbraw/zinc/55/98/92/207559892.db2.gz IFIQILXKQCYRDX-OUCADQQQSA-N 2 1 296.415 -0.117 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)N1CC[NH+](CCOC)CC1 ZINC000418724257 207602734 /nfs/dbraw/zinc/60/27/34/207602734.db2.gz JUBHAUBRCVXMGT-NSHDSACASA-N 2 1 258.366 -0.303 20 0 CBADMP C[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)[C@@H]1C[NH3+] ZINC000419097556 207645209 /nfs/dbraw/zinc/64/52/09/207645209.db2.gz GANOCSQGQDGDAH-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000342719940 532978603 /nfs/dbraw/zinc/97/86/03/532978603.db2.gz YHPJWPHQBMHZJX-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000423382762 285028340 /nfs/dbraw/zinc/02/83/40/285028340.db2.gz PCOHCGMGOXACMB-UKRRQHHQSA-N 2 1 299.415 -0.161 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)C[NH3+] ZINC000417567432 285035081 /nfs/dbraw/zinc/03/50/81/285035081.db2.gz NNUVYHRGZBXABY-QWRGUYRKSA-N 2 1 258.366 -0.256 20 0 CBADMP CCOC(=O)c1c[nH+]ccc1NC[C@H]1C[NH2+]C[C@H]1O ZINC000420232482 207807695 /nfs/dbraw/zinc/80/76/95/207807695.db2.gz AENMEYNBRVFZOD-BXKDBHETSA-N 2 1 265.313 -0.328 20 0 CBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000172775353 285035962 /nfs/dbraw/zinc/03/59/62/285035962.db2.gz NPULZTVKUVVVIF-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000172775353 285035966 /nfs/dbraw/zinc/03/59/66/285035966.db2.gz NPULZTVKUVVVIF-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000172775353 285035969 /nfs/dbraw/zinc/03/59/69/285035969.db2.gz NPULZTVKUVVVIF-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000172775353 285035973 /nfs/dbraw/zinc/03/59/73/285035973.db2.gz NPULZTVKUVVVIF-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP C[NH2+]CCC(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000423786970 207942845 /nfs/dbraw/zinc/94/28/45/207942845.db2.gz QQYJNWPRARZUKB-LLVKDONJSA-N 2 1 271.361 -0.308 20 0 CBADMP COCC[N@@H+]1CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000417710288 285055419 /nfs/dbraw/zinc/05/54/19/285055419.db2.gz PCYFYSIDOOCPDI-SECBINFHSA-N 2 1 280.319 -0.400 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000417710288 285055420 /nfs/dbraw/zinc/05/54/20/285055420.db2.gz PCYFYSIDOOCPDI-SECBINFHSA-N 2 1 280.319 -0.400 20 0 CBADMP COCCNC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368917385 285064788 /nfs/dbraw/zinc/06/47/88/285064788.db2.gz CORVPCQVYPRFOA-QWRGUYRKSA-N 2 1 256.350 -0.390 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000426308845 208046060 /nfs/dbraw/zinc/04/60/60/208046060.db2.gz GQZKIAKPSPVWJB-KGLIPLIRSA-N 2 1 280.416 -0.025 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426308845 208046065 /nfs/dbraw/zinc/04/60/65/208046065.db2.gz GQZKIAKPSPVWJB-KGLIPLIRSA-N 2 1 280.416 -0.025 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426308845 208046068 /nfs/dbraw/zinc/04/60/68/208046068.db2.gz GQZKIAKPSPVWJB-KGLIPLIRSA-N 2 1 280.416 -0.025 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(=O)n(C)c1=O ZINC000427132131 208056129 /nfs/dbraw/zinc/05/61/29/208056129.db2.gz ZHEQZCBNCTUWFW-ZYHUDNBSSA-N 2 1 278.356 -0.732 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(=O)n(C)c1=O ZINC000427132131 208056135 /nfs/dbraw/zinc/05/61/35/208056135.db2.gz ZHEQZCBNCTUWFW-ZYHUDNBSSA-N 2 1 278.356 -0.732 20 0 CBADMP CC[NH+]1CCN(CC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC000427787714 208070468 /nfs/dbraw/zinc/07/04/68/208070468.db2.gz HVHIWWLACCGRDY-OKILXGFUSA-N 2 1 280.416 -0.356 20 0 CBADMP CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000429455503 208122334 /nfs/dbraw/zinc/12/23/34/208122334.db2.gz RFEPYPISJJNXHX-VXGBXAGGSA-N 2 1 292.449 -0.251 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC([NH2+]CC2CC2)CC1 ZINC000429563100 208126697 /nfs/dbraw/zinc/12/66/97/208126697.db2.gz BFBXCSOHMMCOLM-ZDUSSCGKSA-N 2 1 267.373 -0.035 20 0 CBADMP CCN(CC)C(=O)C[N@@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000429674207 208126975 /nfs/dbraw/zinc/12/69/75/208126975.db2.gz CFRDSHSGDILOQD-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP O=C(COC1C[NH2+]C1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000430673484 208170746 /nfs/dbraw/zinc/17/07/46/208170746.db2.gz CYAFUPLPVQTLTK-RYUDHWBXSA-N 2 1 253.346 -0.282 20 0 CBADMP C[NH+](C)[C@]1(CNC(=O)[C@@H]2COCC[NH2+]2)CCSC1 ZINC000430680118 208170844 /nfs/dbraw/zinc/17/08/44/208170844.db2.gz XMCZUEHGUSROFJ-JQWIXIFHSA-N 2 1 273.402 -0.472 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C[C@H]1C ZINC000430720975 208174066 /nfs/dbraw/zinc/17/40/66/208174066.db2.gz NZESKUYIOMWCAR-DYEKYZERSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C[C@H]1C ZINC000430720975 208174069 /nfs/dbraw/zinc/17/40/69/208174069.db2.gz NZESKUYIOMWCAR-DYEKYZERSA-N 2 1 269.389 -0.101 20 0 CBADMP Cc1cccc(NCCNC(=O)[C@@H]2C[NH2+]CCO2)[nH+]1 ZINC000430717162 208174229 /nfs/dbraw/zinc/17/42/29/208174229.db2.gz FQHOKNCVQIPEPI-NSHDSACASA-N 2 1 264.329 -0.093 20 0 CBADMP COCC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000430720660 208174423 /nfs/dbraw/zinc/17/44/23/208174423.db2.gz NFNZZZATWUHJSI-LLVKDONJSA-N 2 1 259.350 -0.941 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000430711722 208176456 /nfs/dbraw/zinc/17/64/56/208176456.db2.gz GCDSCGUREZAPRX-WOPDTQHZSA-N 2 1 255.362 -0.049 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000430729634 208174640 /nfs/dbraw/zinc/17/46/40/208174640.db2.gz HBETUTMURFCMCY-NEPJUHHUSA-N 2 1 271.361 -0.798 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)COC1C[NH2+]C1 ZINC000430763500 208178668 /nfs/dbraw/zinc/17/86/68/208178668.db2.gz PWBXBUAIKIZPIX-UHFFFAOYSA-N 2 1 252.318 -0.314 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)COC2C[NH2+]C2)C[C@H](C)O1 ZINC000430745095 208178812 /nfs/dbraw/zinc/17/88/12/208178812.db2.gz VTHGRYCUELPJAR-TXEJJXNPSA-N 2 1 285.388 -0.410 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C2(OC)CC[NH2+]CC2)C1 ZINC000430730669 208179094 /nfs/dbraw/zinc/17/90/94/208179094.db2.gz JQUHWWKCSVFCDE-LBPRGKRZSA-N 2 1 285.388 -0.408 20 0 CBADMP CC[C@H]1CN(C(=O)COC2C[NH2+]C2)CC[N@@H+]1CCOC ZINC000430735083 208179265 /nfs/dbraw/zinc/17/92/65/208179265.db2.gz XXQDVRMMIPSHJN-LBPRGKRZSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[C@H]1CN(C(=O)COC2C[NH2+]C2)CC[N@H+]1CCOC ZINC000430735083 208179271 /nfs/dbraw/zinc/17/92/71/208179271.db2.gz XXQDVRMMIPSHJN-LBPRGKRZSA-N 2 1 285.388 -0.456 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000430801011 208181652 /nfs/dbraw/zinc/18/16/52/208181652.db2.gz WMLKJBCPXGYOGX-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@H]1C[C@@H](N(C)C(=O)COC2C[NH2+]C2)CC[N@H+]1C ZINC000430785684 208182013 /nfs/dbraw/zinc/18/20/13/208182013.db2.gz YHLFSTOBZJFYON-QWRGUYRKSA-N 2 1 255.362 -0.084 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[NH3+] ZINC000430877084 208186759 /nfs/dbraw/zinc/18/67/59/208186759.db2.gz IONDKRYXXYANOP-SNVBAGLBSA-N 2 1 256.350 -0.996 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000430878029 208187369 /nfs/dbraw/zinc/18/73/69/208187369.db2.gz LQBDDDJAWJCBPB-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000430891497 208188271 /nfs/dbraw/zinc/18/82/71/208188271.db2.gz UPARWONAGMOSPT-RYUDHWBXSA-N 2 1 282.388 -0.416 20 0 CBADMP COCC[NH2+]CCNC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000418571707 285078567 /nfs/dbraw/zinc/07/85/67/285078567.db2.gz ZDXHOOKAQICGBC-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000430920824 208190401 /nfs/dbraw/zinc/19/04/01/208190401.db2.gz QGWFEUAXUHVMNZ-VXGBXAGGSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000430922989 208190458 /nfs/dbraw/zinc/19/04/58/208190458.db2.gz BRUBAFVLHOGWGZ-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000430896939 208190661 /nfs/dbraw/zinc/19/06/61/208190661.db2.gz JLMOHWMCGIYOSV-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430931356 208192789 /nfs/dbraw/zinc/19/27/89/208192789.db2.gz BOXIJEZNBDNCFE-STQMWFEESA-N 2 1 268.405 -0.180 20 0 CBADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430931356 208192794 /nfs/dbraw/zinc/19/27/94/208192794.db2.gz BOXIJEZNBDNCFE-STQMWFEESA-N 2 1 268.405 -0.180 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000430957845 208193446 /nfs/dbraw/zinc/19/34/46/208193446.db2.gz VENDSEWLYLPFJA-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000430947985 208194021 /nfs/dbraw/zinc/19/40/21/208194021.db2.gz GQULCHLUKGJTNH-QWHCGFSZSA-N 2 1 282.388 -0.606 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000430947985 208194027 /nfs/dbraw/zinc/19/40/27/208194027.db2.gz GQULCHLUKGJTNH-QWHCGFSZSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH2+]CC1CC[NH+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000430964918 208196636 /nfs/dbraw/zinc/19/66/36/208196636.db2.gz JPWSMGSCIUGBHC-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000431012923 208198219 /nfs/dbraw/zinc/19/82/19/208198219.db2.gz HAEKQOCJQJRPCG-RDBSUJKOSA-N 2 1 297.399 -0.456 20 0 CBADMP C[NH2+]CCCC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000431020709 208199198 /nfs/dbraw/zinc/19/91/98/208199198.db2.gz CXDHJBVWIMKPEL-GFCCVEGCSA-N 2 1 256.394 -0.262 20 0 CBADMP CN1CC[NH+](CCCNC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000431010813 208199378 /nfs/dbraw/zinc/19/93/78/208199378.db2.gz RSONXCWLONKOTD-CQSZACIVSA-N 2 1 298.431 -0.491 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000431012790 208199911 /nfs/dbraw/zinc/19/99/11/208199911.db2.gz GWAKPKYXILPVTG-CYBMUJFWSA-N 2 1 268.405 -0.260 20 0 CBADMP C[NH+](C)CCN1CCC(CNC(=O)COC2C[NH2+]C2)CC1 ZINC000431062055 208201902 /nfs/dbraw/zinc/20/19/02/208201902.db2.gz NKEBLHMJSWQRRF-UHFFFAOYSA-N 2 1 298.431 -0.635 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433375257 208244271 /nfs/dbraw/zinc/24/42/71/208244271.db2.gz HCZPYJGXSJVWDX-VXGBXAGGSA-N 2 1 292.387 -0.116 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCC1 ZINC000438538799 208309910 /nfs/dbraw/zinc/30/99/10/208309910.db2.gz WKHSLEIZLKXTRC-ZDUSSCGKSA-N 2 1 280.416 -0.023 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCC1CC1 ZINC000436057667 208288109 /nfs/dbraw/zinc/28/81/09/208288109.db2.gz WGPWQSVTKYTRGB-CYBMUJFWSA-N 2 1 296.415 -0.168 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCC1CC1 ZINC000436057667 208288113 /nfs/dbraw/zinc/28/81/13/208288113.db2.gz WGPWQSVTKYTRGB-CYBMUJFWSA-N 2 1 296.415 -0.168 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCN1CCCC1=O ZINC000436055357 208289524 /nfs/dbraw/zinc/28/95/24/208289524.db2.gz TUWSIQAUOKZTSB-ZDUSSCGKSA-N 2 1 296.415 -0.072 20 0 CBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CC[NH3+])CC1 ZINC000574807822 335048722 /nfs/dbraw/zinc/04/87/22/335048722.db2.gz BORLHWGNYQPMCP-ZDUSSCGKSA-N 2 1 268.405 -0.036 20 0 CBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[NH+](C)C)cn1 ZINC000439478458 208326383 /nfs/dbraw/zinc/32/63/83/208326383.db2.gz NAELVBXJRBWPEZ-UHFFFAOYSA-N 2 1 296.375 -0.939 20 0 CBADMP C[NH+]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442596890 208356960 /nfs/dbraw/zinc/35/69/60/208356960.db2.gz WPSZKFVQKZVFIO-UHFFFAOYSA-N 2 1 297.447 -0.031 20 0 CBADMP C[NH+]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442596890 208356967 /nfs/dbraw/zinc/35/69/67/208356967.db2.gz WPSZKFVQKZVFIO-UHFFFAOYSA-N 2 1 297.447 -0.031 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442771022 208365130 /nfs/dbraw/zinc/36/51/30/208365130.db2.gz SKSJCFNUOVXUTB-AXFHLTTASA-N 2 1 286.376 -0.484 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442771022 208365136 /nfs/dbraw/zinc/36/51/36/208365136.db2.gz SKSJCFNUOVXUTB-AXFHLTTASA-N 2 1 286.376 -0.484 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442771026 208365796 /nfs/dbraw/zinc/36/57/96/208365796.db2.gz SKSJCFNUOVXUTB-HBNTYKKESA-N 2 1 286.376 -0.484 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442771026 208365803 /nfs/dbraw/zinc/36/58/03/208365803.db2.gz SKSJCFNUOVXUTB-HBNTYKKESA-N 2 1 286.376 -0.484 20 0 CBADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442766284 208366043 /nfs/dbraw/zinc/36/60/43/208366043.db2.gz KSKFZYFOFZVTBH-UTUOFQBUSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442766284 208366047 /nfs/dbraw/zinc/36/60/47/208366047.db2.gz KSKFZYFOFZVTBH-UTUOFQBUSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCS(=O)(=O)N(C)C ZINC000442789652 208367671 /nfs/dbraw/zinc/36/76/71/208367671.db2.gz KAGYHFWESJNGTD-MNOVXSKESA-N 2 1 263.407 -0.063 20 0 CBADMP C[NH+](C)CC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442959668 208372895 /nfs/dbraw/zinc/37/28/95/208372895.db2.gz ASZITCULKSAFRT-UHFFFAOYSA-N 2 1 256.394 -0.310 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H](C)[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000353726790 220285755 /nfs/dbraw/zinc/28/57/55/220285755.db2.gz SZCFQRKZRINUKW-TUAOUCFPSA-N 2 1 255.362 -0.097 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000574857917 335052395 /nfs/dbraw/zinc/05/23/95/335052395.db2.gz KLDZGWZOGRVEAC-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000574857913 335052607 /nfs/dbraw/zinc/05/26/07/335052607.db2.gz KLDZGWZOGRVEAC-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNC(N)=O ZINC000338095111 285243677 /nfs/dbraw/zinc/24/36/77/285243677.db2.gz VDXMAHQYJNJJEX-GFCCVEGCSA-N 2 1 299.419 -0.471 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC000655159628 413030177 /nfs/dbraw/zinc/03/01/77/413030177.db2.gz JTRBMXIRMNTOQJ-CHWSQXEVSA-N 2 1 296.415 -0.093 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000368372649 285361345 /nfs/dbraw/zinc/36/13/45/285361345.db2.gz APSABPAMQXKDDP-TUAOUCFPSA-N 2 1 253.346 -0.473 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000368372649 285361347 /nfs/dbraw/zinc/36/13/47/285361347.db2.gz APSABPAMQXKDDP-TUAOUCFPSA-N 2 1 253.346 -0.473 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000413826965 285362946 /nfs/dbraw/zinc/36/29/46/285362946.db2.gz ZYCDTARCPVLKRG-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000413826965 285362947 /nfs/dbraw/zinc/36/29/47/285362947.db2.gz ZYCDTARCPVLKRG-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@]1(C)CCC(=O)N1)C1CC1 ZINC000575117400 335068355 /nfs/dbraw/zinc/06/83/55/335068355.db2.gz MPOQBOJRCHRMGN-WCQYABFASA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@]1(C)CCC(=O)N1)C1CC1 ZINC000575117400 335068357 /nfs/dbraw/zinc/06/83/57/335068357.db2.gz MPOQBOJRCHRMGN-WCQYABFASA-N 2 1 255.362 -0.300 20 0 CBADMP COC1(C(=O)NCC(F)(F)C[NH3+])CC[NH2+]CC1 ZINC000190245363 292093403 /nfs/dbraw/zinc/09/34/03/292093403.db2.gz YWQUDIIIGDECDP-UHFFFAOYSA-N 2 1 251.277 -0.535 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000187936403 285779545 /nfs/dbraw/zinc/77/95/45/285779545.db2.gz LHULBKJGRFBXNK-FRRDWIJNSA-N 2 1 285.388 -0.552 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000576282889 335182795 /nfs/dbraw/zinc/18/27/95/335182795.db2.gz YCWVFNFXYNXWNT-TXEJJXNPSA-N 2 1 282.388 -0.654 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372099490 304370290 /nfs/dbraw/zinc/37/02/90/304370290.db2.gz VKBWZYQPAFVEBW-AGIUHOORSA-N 2 1 283.372 -0.968 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449367361 292337658 /nfs/dbraw/zinc/33/76/58/292337658.db2.gz VPZGGGJOOSNDDG-VXGBXAGGSA-N 2 1 257.378 -0.074 20 0 CBADMP COCCC[N@H+]1CCCN(C(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000365224627 292351637 /nfs/dbraw/zinc/35/16/37/292351637.db2.gz XNDMVGTUZSXFJH-ZDUSSCGKSA-N 2 1 287.404 -0.079 20 0 CBADMP COCCC[N@H+]1CCCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000367534857 292352214 /nfs/dbraw/zinc/35/22/14/292352214.db2.gz YWIQJQBBLPSJJW-LBPRGKRZSA-N 2 1 273.377 -0.469 20 0 CBADMP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351860638 292373906 /nfs/dbraw/zinc/37/39/06/292373906.db2.gz GZMUAJBOJZPJMV-NWDGAFQWSA-N 2 1 293.433 -0.389 20 0 CBADMP COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351860638 292373908 /nfs/dbraw/zinc/37/39/08/292373908.db2.gz GZMUAJBOJZPJMV-NWDGAFQWSA-N 2 1 293.433 -0.389 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC2([NH3+])CCC2)[C@@H](C)C1 ZINC000332457750 287090620 /nfs/dbraw/zinc/09/06/20/287090620.db2.gz ICSHVMVOCFFYDZ-NWDGAFQWSA-N 2 1 284.404 -0.036 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C2([NH3+])CCCC2)CC1 ZINC000037616453 411625065 /nfs/dbraw/zinc/62/50/65/411625065.db2.gz CSYGVGVKDHTEHB-UHFFFAOYSA-N 2 1 282.388 -0.416 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662753712 413994303 /nfs/dbraw/zinc/99/43/03/413994303.db2.gz VGAJRENBIAURMR-JTQLQIEISA-N 2 1 279.344 -0.259 20 0 CBADMP CN(C(=O)C[NH3+])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899511 414061545 /nfs/dbraw/zinc/06/15/45/414061545.db2.gz DZHJQDNPHKQHPR-LBPRGKRZSA-N 2 1 254.378 -0.428 20 0 CBADMP CN(C(=O)C[NH3+])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899511 414061553 /nfs/dbraw/zinc/06/15/53/414061553.db2.gz DZHJQDNPHKQHPR-LBPRGKRZSA-N 2 1 254.378 -0.428 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000071378558 176142844 /nfs/dbraw/zinc/14/28/44/176142844.db2.gz ASLZXLDWCXPTKQ-LBPRGKRZSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000353425125 287317709 /nfs/dbraw/zinc/31/77/09/287317709.db2.gz IRYQKPAZJGPJML-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C(=O)CN1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000081454120 544428480 /nfs/dbraw/zinc/42/84/80/544428480.db2.gz WZXKIOKDSWACDD-ZDUSSCGKSA-N 2 1 268.405 -0.214 20 0 CBADMP CN(C(=O)CN1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000081454120 544428484 /nfs/dbraw/zinc/42/84/84/544428484.db2.gz WZXKIOKDSWACDD-ZDUSSCGKSA-N 2 1 268.405 -0.214 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)CN1CC[NH+](C)CC1 ZINC000081397092 544428565 /nfs/dbraw/zinc/42/85/65/544428565.db2.gz DHNQUTVQHJHJSM-GFCCVEGCSA-N 2 1 256.394 -0.310 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000089700144 544436090 /nfs/dbraw/zinc/43/60/90/544436090.db2.gz UFHDZIRHLQFHST-LLVKDONJSA-N 2 1 280.376 -0.303 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000091300595 544439661 /nfs/dbraw/zinc/43/96/61/544439661.db2.gz MRGSJSKGTZWWNS-KBPBESRZSA-N 2 1 297.399 -0.312 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)COC1(C)C[NH2+]C1 ZINC000098061736 544446710 /nfs/dbraw/zinc/44/67/10/544446710.db2.gz ZQCBPTNRMGBKAN-UHFFFAOYSA-N 2 1 259.350 -0.941 20 0 CBADMP OC[C@H]1CCC[N@H+]1CC1(C[NH+]2CCC[C@H]2CO)COC1 ZINC000119393898 544449869 /nfs/dbraw/zinc/44/98/69/544449869.db2.gz FFJVNPDOYHSXSC-OKILXGFUSA-N 2 1 284.400 -0.084 20 0 CBADMP OC[C@H]1CCC[NH+]1CC1(C[N@@H+]2CCC[C@H]2CO)COC1 ZINC000119393898 544449875 /nfs/dbraw/zinc/44/98/75/544449875.db2.gz FFJVNPDOYHSXSC-OKILXGFUSA-N 2 1 284.400 -0.084 20 0 CBADMP OC[C@H]1CCC[NH+]1CC1(C[N@H+]2CCC[C@H]2CO)COC1 ZINC000119393898 544449879 /nfs/dbraw/zinc/44/98/79/544449879.db2.gz FFJVNPDOYHSXSC-OKILXGFUSA-N 2 1 284.400 -0.084 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000227047611 544492772 /nfs/dbraw/zinc/49/27/72/544492772.db2.gz IPQWFXDSZWYVLU-STQMWFEESA-N 2 1 268.405 -0.119 20 0 CBADMP [NH3+]CCn1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)nn1 ZINC000227629828 544493833 /nfs/dbraw/zinc/49/38/33/544493833.db2.gz OIOZEFHXTYXEEA-JQWIXIFHSA-N 2 1 278.360 -0.407 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)CC(C)(C)[NH3+])CC1 ZINC000178699914 544481159 /nfs/dbraw/zinc/48/11/59/544481159.db2.gz QIRXPTURJUDXLD-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCOC2(C[NH2+]C2)C1 ZINC000333949260 544547033 /nfs/dbraw/zinc/54/70/33/544547033.db2.gz XCKFCNJJALXWCX-OLZOCXBDSA-N 2 1 294.399 -0.003 20 0 CBADMP CC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)CC[C@H]1[NH3+] ZINC000251845420 544514717 /nfs/dbraw/zinc/51/47/17/544514717.db2.gz RFCTZUASHJYRHE-NXEZZACHSA-N 2 1 254.334 -0.403 20 0 CBADMP CC[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)CC[C@H]1[NH3+] ZINC000251845420 544514719 /nfs/dbraw/zinc/51/47/19/544514719.db2.gz RFCTZUASHJYRHE-NXEZZACHSA-N 2 1 254.334 -0.403 20 0 CBADMP C[N@H+]1CC[C@]2(C1)CCCN(CC(=O)N1CCNC(=O)C1)C2 ZINC000660651587 419419575 /nfs/dbraw/zinc/41/95/75/419419575.db2.gz BFZCNPCMDMNQAH-HNNXBMFYSA-N 2 1 294.399 -0.638 20 0 CBADMP CN(CCC[N@@H+](C)C[C@@H]1CNC(=O)C1)CC[NH+](C)C ZINC000660560138 419406222 /nfs/dbraw/zinc/40/62/22/419406222.db2.gz KBKPZIGCOHFWEA-ZDUSSCGKSA-N 2 1 270.421 -0.062 20 0 CBADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)CN1CCOCC1 ZINC000037904521 419411683 /nfs/dbraw/zinc/41/16/83/419411683.db2.gz GXPFBIYMZJFGOE-ZFWWWQNUSA-N 2 1 283.416 -0.247 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000037643514 419412880 /nfs/dbraw/zinc/41/28/80/419412880.db2.gz AMGHXVYJRUEFOQ-LBPRGKRZSA-N 2 1 254.378 -0.650 20 0 CBADMP C[N@H+]1CC[C@@]2(C1)CCCN(CC(=O)N1CCNC(=O)C1)C2 ZINC000660651588 419416230 /nfs/dbraw/zinc/41/62/30/419416230.db2.gz BFZCNPCMDMNQAH-OAHLLOKOSA-N 2 1 294.399 -0.638 20 0 CBADMP CC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)CC[C@@H]1[NH3+] ZINC000122747954 419487786 /nfs/dbraw/zinc/48/77/86/419487786.db2.gz RFCTZUASHJYRHE-ZJUUUORDSA-N 2 1 254.334 -0.403 20 0 CBADMP CC[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)CC[C@@H]1[NH3+] ZINC000122747954 419487798 /nfs/dbraw/zinc/48/77/98/419487798.db2.gz RFCTZUASHJYRHE-ZJUUUORDSA-N 2 1 254.334 -0.403 20 0 CBADMP CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)N(C)C ZINC000053298821 419460823 /nfs/dbraw/zinc/46/08/23/419460823.db2.gz XVJKTKGHRSIDIS-UHFFFAOYSA-N 2 1 270.377 -0.782 20 0 CBADMP CC(C)(C[NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394379118 544578438 /nfs/dbraw/zinc/57/84/38/544578438.db2.gz BSYOARJHOFYIII-NSHDSACASA-N 2 1 254.378 -0.523 20 0 CBADMP [NH3+]CCn1cc(C(=O)N2CC[NH+](C3CCC3)CC2)nn1 ZINC000381256443 544574185 /nfs/dbraw/zinc/57/41/85/544574185.db2.gz WEJJTTCUFTYRMJ-UHFFFAOYSA-N 2 1 278.360 -0.453 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638075342 419525480 /nfs/dbraw/zinc/52/54/80/419525480.db2.gz DZVQYMCNSKBVST-WCQYABFASA-N 2 1 255.362 -0.048 20 0 CBADMP C[NH2+]CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000193129888 419543893 /nfs/dbraw/zinc/54/38/93/419543893.db2.gz KWWKVKVCWBKDLW-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000389564087 544576903 /nfs/dbraw/zinc/57/69/03/544576903.db2.gz CTOYOUOQVRBCIB-JTQLQIEISA-N 2 1 266.349 -0.549 20 0 CBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000390349554 544577176 /nfs/dbraw/zinc/57/71/76/544577176.db2.gz LQIMUUDMNBNOGA-WDEREUQCSA-N 2 1 263.407 -0.002 20 0 CBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000390349554 544577178 /nfs/dbraw/zinc/57/71/78/544577178.db2.gz LQIMUUDMNBNOGA-WDEREUQCSA-N 2 1 263.407 -0.002 20 0 CBADMP COC[C@@H](C[N@H+](C)CC(=O)N1CC[NH2+]CC1)OC ZINC000662236184 419558632 /nfs/dbraw/zinc/55/86/32/419558632.db2.gz DZYIABFTTJCNQG-LLVKDONJSA-N 2 1 259.350 -0.989 20 0 CBADMP COC[C@@H](C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)OC ZINC000662236184 419558637 /nfs/dbraw/zinc/55/86/37/419558637.db2.gz DZYIABFTTJCNQG-LLVKDONJSA-N 2 1 259.350 -0.989 20 0 CBADMP COC[C@H](C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)OC ZINC000662243572 419559067 /nfs/dbraw/zinc/55/90/67/419559067.db2.gz NCXBGLAKNZIVBG-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242022 419560006 /nfs/dbraw/zinc/56/00/06/419560006.db2.gz AQRATRKZHQWSBT-CHWSQXEVSA-N 3 1 296.415 -0.706 20 0 CBADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256739 419561229 /nfs/dbraw/zinc/56/12/29/419561229.db2.gz YKIMSOXGUQRYRV-RYUDHWBXSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@H](CNC(=O)c1cn(CC[NH3+])nn1)[N@@H+](C)C1CC1 ZINC000219946155 419563888 /nfs/dbraw/zinc/56/38/88/419563888.db2.gz ACFPTNQAVVFHKA-SECBINFHSA-N 2 1 266.349 -0.551 20 0 CBADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259333 419565990 /nfs/dbraw/zinc/56/59/90/419565990.db2.gz VDOCUWHQXKEXFG-MNOVXSKESA-N 2 1 255.362 -0.179 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H]1CNCCO1 ZINC000662272209 419566511 /nfs/dbraw/zinc/56/65/11/419566511.db2.gz MDEAPXBSDGFWBV-OLZOCXBDSA-N 2 1 284.404 -0.706 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H]1CNCCO1 ZINC000662272209 419566519 /nfs/dbraw/zinc/56/65/19/419566519.db2.gz MDEAPXBSDGFWBV-OLZOCXBDSA-N 2 1 284.404 -0.706 20 0 CBADMP C[C@@]1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CCC[NH2+]1 ZINC000394379089 544579581 /nfs/dbraw/zinc/57/95/81/544579581.db2.gz BPGQNAMHLFYXQZ-JSGCOSHPSA-N 2 1 266.389 -0.365 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1C ZINC000647679943 419634253 /nfs/dbraw/zinc/63/42/53/419634253.db2.gz GUAIUZCUOBOJMF-VXGBXAGGSA-N 2 1 254.378 -0.652 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394372386 544579698 /nfs/dbraw/zinc/57/96/98/544579698.db2.gz LGKRFLLNZCAOSP-VXGBXAGGSA-N 2 1 254.378 -0.524 20 0 CBADMP [NH3+][C@H](CC(F)F)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394376554 544579859 /nfs/dbraw/zinc/57/98/59/544579859.db2.gz UBTJTQGDEDNRTC-VHSXEESVSA-N 2 1 276.331 -0.525 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C ZINC000662261309 419570004 /nfs/dbraw/zinc/57/00/04/419570004.db2.gz HLDWFOACYGJWJI-HZSPNIEDSA-N 2 1 283.416 -0.106 20 0 CBADMP C[C@H](O)CN1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C ZINC000662261309 419570011 /nfs/dbraw/zinc/57/00/11/419570011.db2.gz HLDWFOACYGJWJI-HZSPNIEDSA-N 2 1 283.416 -0.106 20 0 CBADMP C[C@H](O)CN1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C ZINC000662261309 419570017 /nfs/dbraw/zinc/57/00/17/419570017.db2.gz HLDWFOACYGJWJI-HZSPNIEDSA-N 2 1 283.416 -0.106 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC)CC1 ZINC000236845006 419570608 /nfs/dbraw/zinc/57/06/08/419570608.db2.gz KRCPCNOBBVSIKO-LBPRGKRZSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394382981 544580263 /nfs/dbraw/zinc/58/02/63/544580263.db2.gz UZRFZAGICKLTSV-VXGBXAGGSA-N 2 1 254.378 -0.380 20 0 CBADMP CC(C)[NH2+]CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394382009 544580312 /nfs/dbraw/zinc/58/03/12/544580312.db2.gz ORSWCJQNXBFCKT-LBPRGKRZSA-N 2 1 254.378 -0.510 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000236844446 419571632 /nfs/dbraw/zinc/57/16/32/419571632.db2.gz FGMVGNXHJIFPLL-ZDUSSCGKSA-N 2 1 270.421 -0.014 20 0 CBADMP CN1CCC[C@H]([N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000662281932 419572324 /nfs/dbraw/zinc/57/23/24/419572324.db2.gz MOVXVMRYNXSVQY-OLZOCXBDSA-N 2 1 292.387 -0.006 20 0 CBADMP [NH3+]CCCCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394381423 544580481 /nfs/dbraw/zinc/58/04/81/544580481.db2.gz MAYCGBBTMVEUED-GFCCVEGCSA-N 2 1 254.378 -0.379 20 0 CBADMP COC[C@H](C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)OC ZINC000662275976 419574738 /nfs/dbraw/zinc/57/47/38/419574738.db2.gz GJIAXWUDOHUWEB-OLZOCXBDSA-N 2 1 257.378 -0.373 20 0 CBADMP Cn1cc(C[N@H+]2CCCN(C[C@H]3C[NH2+]CCO3)CC2)cn1 ZINC000662277836 419575322 /nfs/dbraw/zinc/57/53/22/419575322.db2.gz UNCOLOIQRJXODP-OAHLLOKOSA-N 2 1 293.415 -0.084 20 0 CBADMP COCCN1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1=O ZINC000662280766 419575411 /nfs/dbraw/zinc/57/54/11/419575411.db2.gz QNPZDGYYSOFPLN-ZDUSSCGKSA-N 2 1 297.399 -0.312 20 0 CBADMP COCCN1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1=O ZINC000662280766 419575417 /nfs/dbraw/zinc/57/54/17/419575417.db2.gz QNPZDGYYSOFPLN-ZDUSSCGKSA-N 2 1 297.399 -0.312 20 0 CBADMP CCO[C@@H]1C[N@@H+]([C@H]2CCN(CC)C2=O)C[C@H]1C[NH3+] ZINC000662285294 419575549 /nfs/dbraw/zinc/57/55/49/419575549.db2.gz IXQFEMMNDYICOZ-GRYCIOLGSA-N 2 1 255.362 -0.097 20 0 CBADMP CCO[C@@H]1C[N@H+]([C@H]2CCN(CC)C2=O)C[C@H]1C[NH3+] ZINC000662285294 419575554 /nfs/dbraw/zinc/57/55/54/419575554.db2.gz IXQFEMMNDYICOZ-GRYCIOLGSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@H]([NH3+])CCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394382977 544580811 /nfs/dbraw/zinc/58/08/11/544580811.db2.gz UZRFZAGICKLTSV-NWDGAFQWSA-N 2 1 254.378 -0.380 20 0 CBADMP CC(C)([NH3+])CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394383099 544580981 /nfs/dbraw/zinc/58/09/81/544580981.db2.gz VYMSFNSODJDOQY-LLVKDONJSA-N 2 1 254.378 -0.380 20 0 CBADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C[NH3+] ZINC000662287423 419578244 /nfs/dbraw/zinc/57/82/44/419578244.db2.gz ZTXMATJMTOEBOB-FRRDWIJNSA-N 3 1 269.389 -0.197 20 0 CBADMP CCO[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C[NH3+] ZINC000662287423 419578249 /nfs/dbraw/zinc/57/82/49/419578249.db2.gz ZTXMATJMTOEBOB-FRRDWIJNSA-N 2 1 269.389 -0.197 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394381572 544581324 /nfs/dbraw/zinc/58/13/24/544581324.db2.gz MLVGMDWWNADCRI-SRVKXCTJSA-N 2 1 254.378 -0.524 20 0 CBADMP O=C(COC1CC[NH2+]CC1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394397020 544581418 /nfs/dbraw/zinc/58/14/18/544581418.db2.gz BUSJHMSQEGATCP-CYBMUJFWSA-N 2 1 296.415 -0.739 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1CCCC[NH2+]1 ZINC000394383776 544581497 /nfs/dbraw/zinc/58/14/97/544581497.db2.gz FURZUBSGPUZNSJ-STQMWFEESA-N 2 1 266.389 -0.365 20 0 CBADMP CC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662298301 419580811 /nfs/dbraw/zinc/58/08/11/419580811.db2.gz BDCNIMQNUWCLKC-VXGBXAGGSA-N 2 1 253.346 -0.282 20 0 CBADMP CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662298297 419581893 /nfs/dbraw/zinc/58/18/93/419581893.db2.gz BDCNIMQNUWCLKC-RYUDHWBXSA-N 2 1 253.346 -0.282 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662317745 419584597 /nfs/dbraw/zinc/58/45/97/419584597.db2.gz RPCPONRKGOQLBL-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)C[NH+]1CCOCC1 ZINC000237546292 419584546 /nfs/dbraw/zinc/58/45/46/419584546.db2.gz ANGNBIYVXSRLPO-KBPBESRZSA-N 2 1 299.415 -0.161 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662316160 419585101 /nfs/dbraw/zinc/58/51/01/419585101.db2.gz IZMINOYVHXKVKC-YPMHNXCESA-N 2 1 272.393 -0.356 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662316160 419585107 /nfs/dbraw/zinc/58/51/07/419585107.db2.gz IZMINOYVHXKVKC-YPMHNXCESA-N 2 1 272.393 -0.356 20 0 CBADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662314325 419585470 /nfs/dbraw/zinc/58/54/70/419585470.db2.gz DVPHOPQOMHBKAK-ZYHUDNBSSA-N 2 1 253.346 -0.295 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237909424 419587386 /nfs/dbraw/zinc/58/73/86/419587386.db2.gz SNSUOXKTSBQSTR-NEPJUHHUSA-N 2 1 282.388 -0.558 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000662437969 419605414 /nfs/dbraw/zinc/60/54/14/419605414.db2.gz KSSBVXFDNPJFAC-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662441373 419606017 /nfs/dbraw/zinc/60/60/17/419606017.db2.gz FVLCYDVKZMIOHV-STQMWFEESA-N 2 1 287.404 -0.034 20 0 CBADMP CS(=O)(=O)N1CC[C@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000647549466 419607127 /nfs/dbraw/zinc/60/71/27/419607127.db2.gz BWEIWMTZAJLYGF-MNOVXSKESA-N 2 1 261.391 -0.391 20 0 CBADMP NC(=O)Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nn1 ZINC000647545713 419608204 /nfs/dbraw/zinc/60/82/04/419608204.db2.gz JLSKFTZUHMYSKO-NEPJUHHUSA-N 2 1 292.387 -0.415 20 0 CBADMP C[NH+](C)C[C@H](CO)NC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647535940 419608628 /nfs/dbraw/zinc/60/86/28/419608628.db2.gz KBSZLXLWQGDRTC-HZPDHXFCSA-N 2 1 295.427 -0.009 20 0 CBADMP CCS(=O)(=O)NCCC[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000647549236 419608730 /nfs/dbraw/zinc/60/87/30/419608730.db2.gz ORCMOFVLPNGPJP-GHMZBOCLSA-N 2 1 263.407 -0.097 20 0 CBADMP CC(C)[NH2+]CC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000662451599 419608772 /nfs/dbraw/zinc/60/87/72/419608772.db2.gz BMIGJIXCVYDXPK-UHFFFAOYSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH+](C)C[C@@H](CO)NC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647535941 419608820 /nfs/dbraw/zinc/60/88/20/419608820.db2.gz KBSZLXLWQGDRTC-JKSUJKDBSA-N 2 1 295.427 -0.009 20 0 CBADMP CO[C@@]1(CO)CCCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000401706105 544585060 /nfs/dbraw/zinc/58/50/60/544585060.db2.gz DRAYDUWQJRNSEG-KGLIPLIRSA-N 2 1 272.389 -0.085 20 0 CBADMP CO[C@@]1(CO)CCC[N@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000401706105 544585063 /nfs/dbraw/zinc/58/50/63/544585063.db2.gz DRAYDUWQJRNSEG-KGLIPLIRSA-N 2 1 272.389 -0.085 20 0 CBADMP CO[C@@]1(CO)CCC[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000401706105 544585065 /nfs/dbraw/zinc/58/50/65/544585065.db2.gz DRAYDUWQJRNSEG-KGLIPLIRSA-N 2 1 272.389 -0.085 20 0 CBADMP COC1(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC[NH2+]CC1 ZINC000310954875 419618244 /nfs/dbraw/zinc/61/82/44/419618244.db2.gz BYZNTEFSBJMVBN-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC000311479508 419619769 /nfs/dbraw/zinc/61/97/69/419619769.db2.gz QSQCDMVWPJXPSF-GWCFXTLKSA-N 2 1 266.345 -0.401 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000311177376 419619807 /nfs/dbraw/zinc/61/98/07/419619807.db2.gz WTVUJEPCHIKXAI-UPJWGTAASA-N 2 1 257.378 -0.923 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000647594969 419621007 /nfs/dbraw/zinc/62/10/07/419621007.db2.gz CEGVUJWUNCKBDS-ZDEQEGDKSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000647597697 419621114 /nfs/dbraw/zinc/62/11/14/419621114.db2.gz JBWYTTBLLYVCQW-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+]1CCCN(C[C@H](O)C[NH+](C)CCOC)CC1 ZINC000311543405 419621626 /nfs/dbraw/zinc/62/16/26/419621626.db2.gz HJWDDQYIWMVVAD-CQSZACIVSA-N 2 1 273.421 -0.047 20 0 CBADMP CC[NH+]1CCCN(C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000311543405 419621632 /nfs/dbraw/zinc/62/16/32/419621632.db2.gz HJWDDQYIWMVVAD-CQSZACIVSA-N 2 1 273.421 -0.047 20 0 CBADMP CC[NH+]1CCCN(C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000311543405 419621637 /nfs/dbraw/zinc/62/16/37/419621637.db2.gz HJWDDQYIWMVVAD-CQSZACIVSA-N 2 1 273.421 -0.047 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000662502276 419626178 /nfs/dbraw/zinc/62/61/78/419626178.db2.gz UANHVAXXYCSTLE-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000662502277 419626650 /nfs/dbraw/zinc/62/66/50/419626650.db2.gz UANHVAXXYCSTLE-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP O=C([C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000647824832 419662215 /nfs/dbraw/zinc/66/22/15/419662215.db2.gz YYHCZJUOFSVXLE-UONOGXRCSA-N 3 1 280.416 -0.260 20 0 CBADMP O=C([C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000647824832 419662219 /nfs/dbraw/zinc/66/22/19/419662219.db2.gz YYHCZJUOFSVXLE-UONOGXRCSA-N 2 1 280.416 -0.260 20 0 CBADMP O=C([C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000647824832 419662223 /nfs/dbraw/zinc/66/22/23/419662223.db2.gz YYHCZJUOFSVXLE-UONOGXRCSA-N 2 1 280.416 -0.260 20 0 CBADMP C[NH+](C)CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000647821812 419662678 /nfs/dbraw/zinc/66/26/78/419662678.db2.gz MQYMVQJMGPQZER-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP C[NH+](C)CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000647821812 419662683 /nfs/dbraw/zinc/66/26/83/419662683.db2.gz MQYMVQJMGPQZER-NWDGAFQWSA-N 2 1 255.362 -0.130 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835180 419664969 /nfs/dbraw/zinc/66/49/69/419664969.db2.gz PZWZLIUNLJFFSM-KBPBESRZSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835180 419664976 /nfs/dbraw/zinc/66/49/76/419664976.db2.gz PZWZLIUNLJFFSM-KBPBESRZSA-N 2 1 298.431 -0.493 20 0 CBADMP C[N@@H+](CCCCS(C)(=O)=O)CCN1CC[NH2+]CC1 ZINC000647835824 419665021 /nfs/dbraw/zinc/66/50/21/419665021.db2.gz QJVJTZXYFNHTDQ-UHFFFAOYSA-N 2 1 277.434 -0.352 20 0 CBADMP C[C@@H](CN1CCOCC1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000647828798 419666484 /nfs/dbraw/zinc/66/64/84/419666484.db2.gz ZEMCULXNSKNOJQ-KBPBESRZSA-N 2 1 298.431 -0.506 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655484 419670824 /nfs/dbraw/zinc/67/08/24/419670824.db2.gz IKDBEALTPOHJNX-NWDGAFQWSA-N 2 1 271.361 -0.717 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN([C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC000647865571 419676852 /nfs/dbraw/zinc/67/68/52/419676852.db2.gz NSOJCHWGOCSLET-AVGNSLFASA-N 2 1 257.378 -0.245 20 0 CBADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000662672428 419677275 /nfs/dbraw/zinc/67/72/75/419677275.db2.gz AFUAANPXMPPTJQ-VXGBXAGGSA-N 2 1 253.346 -0.343 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000662672425 419678191 /nfs/dbraw/zinc/67/81/91/419678191.db2.gz AFUAANPXMPPTJQ-NEPJUHHUSA-N 2 1 253.346 -0.343 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662669095 419678265 /nfs/dbraw/zinc/67/82/65/419678265.db2.gz VEPPMDUYRJNAIG-LLVKDONJSA-N 2 1 255.362 -0.299 20 0 CBADMP C[C@H](CNC(=O)C1(O)C[NH2+]C1)[N@H+]1CCCC[C@H]1C ZINC000662680378 419680156 /nfs/dbraw/zinc/68/01/56/419680156.db2.gz SURSVNILMKHMGU-GHMZBOCLSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662683428 419681431 /nfs/dbraw/zinc/68/14/31/419681431.db2.gz OEZKNPLCHVUYGS-GFCCVEGCSA-N 2 1 269.389 -0.051 20 0 CBADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000662681330 419683083 /nfs/dbraw/zinc/68/30/83/419683083.db2.gz FGRFGWWESDMUGL-WDEREUQCSA-N 2 1 273.402 -0.485 20 0 CBADMP CC(C)[C@@H]1C(=O)NCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000647884417 419684129 /nfs/dbraw/zinc/68/41/29/419684129.db2.gz NSBPSMDWJRMADN-GFCCVEGCSA-N 2 1 254.378 -0.652 20 0 CBADMP CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000647884417 419684138 /nfs/dbraw/zinc/68/41/38/419684138.db2.gz NSBPSMDWJRMADN-GFCCVEGCSA-N 2 1 254.378 -0.652 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CCO1 ZINC000647877245 419684607 /nfs/dbraw/zinc/68/46/07/419684607.db2.gz MCNCOIDOFPMGQZ-AVGNSLFASA-N 2 1 284.404 -0.803 20 0 CBADMP CC(C)[C@H]1C(=O)NCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000647884418 419684931 /nfs/dbraw/zinc/68/49/31/419684931.db2.gz NSBPSMDWJRMADN-LBPRGKRZSA-N 2 1 254.378 -0.652 20 0 CBADMP CC(C)[C@H]1C(=O)NCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000647884418 419684938 /nfs/dbraw/zinc/68/49/38/419684938.db2.gz NSBPSMDWJRMADN-LBPRGKRZSA-N 2 1 254.378 -0.652 20 0 CBADMP O=C1C[N@H+](CCN2CC[NH2+]CC2)[C@@H]2CCCC[C@@H]2N1 ZINC000647882992 419685084 /nfs/dbraw/zinc/68/50/84/419685084.db2.gz YHZJQBJKMOTSFU-QWHCGFSZSA-N 2 1 266.389 -0.365 20 0 CBADMP O=C1C[N@@H+](CCN2CC[NH2+]CC2)[C@@H]2CCCC[C@@H]2N1 ZINC000647882992 419685098 /nfs/dbraw/zinc/68/50/98/419685098.db2.gz YHZJQBJKMOTSFU-QWHCGFSZSA-N 2 1 266.389 -0.365 20 0 CBADMP C[C@@H]1C[N@H+](CCCCNC(=O)C2(O)C[NH2+]C2)C[C@H](C)O1 ZINC000662693166 419687166 /nfs/dbraw/zinc/68/71/66/419687166.db2.gz QYHGHFQBDJYDLY-TXEJJXNPSA-N 2 1 285.388 -0.674 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647890797 419687467 /nfs/dbraw/zinc/68/74/67/419687467.db2.gz VSJZSVHGWFSBKJ-WDEREUQCSA-N 2 1 261.391 -0.391 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647890797 419687473 /nfs/dbraw/zinc/68/74/73/419687473.db2.gz VSJZSVHGWFSBKJ-WDEREUQCSA-N 2 1 261.391 -0.391 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647890795 419688141 /nfs/dbraw/zinc/68/81/41/419688141.db2.gz VSJZSVHGWFSBKJ-MNOVXSKESA-N 2 1 261.391 -0.391 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647890795 419688147 /nfs/dbraw/zinc/68/81/47/419688147.db2.gz VSJZSVHGWFSBKJ-MNOVXSKESA-N 2 1 261.391 -0.391 20 0 CBADMP C(C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000647891563 419689038 /nfs/dbraw/zinc/68/90/38/419689038.db2.gz RPXBWLKWNVKFCS-KBPBESRZSA-N 2 1 269.389 -0.229 20 0 CBADMP C(C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000647891563 419689043 /nfs/dbraw/zinc/68/90/43/419689043.db2.gz RPXBWLKWNVKFCS-KBPBESRZSA-N 2 1 269.389 -0.229 20 0 CBADMP C[C@@H](CNC(=O)CC1([NH3+])CC1)C[NH+]1CCOCC1 ZINC000662699587 419689998 /nfs/dbraw/zinc/68/99/98/419689998.db2.gz CGPIGHHJKYTYSB-NSHDSACASA-N 2 1 255.362 -0.048 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000662702848 419692456 /nfs/dbraw/zinc/69/24/56/419692456.db2.gz NWBUVHYNCNTJQP-WCQGTBRESA-N 2 1 253.346 -0.297 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662702996 419692944 /nfs/dbraw/zinc/69/29/44/419692944.db2.gz GCLZKQZCAAEKSI-GHMZBOCLSA-N 2 1 259.350 -0.955 20 0 CBADMP C[NH2+]CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000662707588 419694504 /nfs/dbraw/zinc/69/45/04/419694504.db2.gz LJOXLKXADYTONF-VXGBXAGGSA-N 2 1 267.373 -0.035 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662703209 419694944 /nfs/dbraw/zinc/69/49/44/419694944.db2.gz GWIIYLCXHRHSSU-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP COC[C@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000647989901 419702620 /nfs/dbraw/zinc/70/26/20/419702620.db2.gz CHVJCGAHKFKBAG-CHWSQXEVSA-N 2 1 257.378 -0.373 20 0 CBADMP COC[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000647989901 419702631 /nfs/dbraw/zinc/70/26/31/419702631.db2.gz CHVJCGAHKFKBAG-CHWSQXEVSA-N 2 1 257.378 -0.373 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339629902 419703266 /nfs/dbraw/zinc/70/32/66/419703266.db2.gz DTKWUEASGHPFCR-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)CC2([NH3+])CC2)n1C ZINC000662729224 419707098 /nfs/dbraw/zinc/70/70/98/419707098.db2.gz HQLMTTVPNDDDIR-UHFFFAOYSA-N 2 1 251.334 -0.016 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)n1C ZINC000662730106 419707405 /nfs/dbraw/zinc/70/74/05/419707405.db2.gz RFONPYVLVPMNFZ-KYZUINATSA-N 2 1 251.334 -0.160 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[N@H+]1C1CC1 ZINC000647995923 419708026 /nfs/dbraw/zinc/70/80/26/419708026.db2.gz BQXQBISPZGVBCH-RFHZTLPTSA-N 2 1 296.415 -0.072 20 0 CBADMP C[C@H]1C[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[N@H+]1C1CC1 ZINC000647995922 419708148 /nfs/dbraw/zinc/70/81/48/419708148.db2.gz BQXQBISPZGVBCH-IMIFBBOLSA-N 2 1 296.415 -0.072 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662743282 419708525 /nfs/dbraw/zinc/70/85/25/419708525.db2.gz NFZDEYYYIAVILY-NWDGAFQWSA-N 2 1 273.377 -0.565 20 0 CBADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CCN1CCCS1(=O)=O ZINC000647995428 419709026 /nfs/dbraw/zinc/70/90/26/419709026.db2.gz XFDLDRIWTUYYEW-LBPRGKRZSA-N 2 1 275.418 -0.047 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000662754321 419711417 /nfs/dbraw/zinc/71/14/17/419711417.db2.gz KVPWKAWIAACKPV-LBPRGKRZSA-N 2 1 256.394 -0.262 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662621936 419653016 /nfs/dbraw/zinc/65/30/16/419653016.db2.gz MFQDOTVYAZMFML-VXGBXAGGSA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC000662622855 419654151 /nfs/dbraw/zinc/65/41/51/419654151.db2.gz VAYBBJACKGXEKJ-SECBINFHSA-N 2 1 256.350 -0.950 20 0 CBADMP C[NH2+][C@@H]1CCN(CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000647809821 419657068 /nfs/dbraw/zinc/65/70/68/419657068.db2.gz XGYNAZDQRPNXGI-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2CCO[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000662793779 419726642 /nfs/dbraw/zinc/72/66/42/419726642.db2.gz ZMJLQKCZJDUWHQ-RFQIPJPRSA-N 2 1 299.415 -0.082 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2CCO[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000662793779 419726650 /nfs/dbraw/zinc/72/66/50/419726650.db2.gz ZMJLQKCZJDUWHQ-RFQIPJPRSA-N 2 1 299.415 -0.082 20 0 CBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000662793781 419728003 /nfs/dbraw/zinc/72/80/03/419728003.db2.gz ZMJLQKCZJDUWHQ-XJFOESAGSA-N 2 1 299.415 -0.082 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000662793781 419728009 /nfs/dbraw/zinc/72/80/09/419728009.db2.gz ZMJLQKCZJDUWHQ-XJFOESAGSA-N 2 1 299.415 -0.082 20 0 CBADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662794502 419728120 /nfs/dbraw/zinc/72/81/20/419728120.db2.gz RDUPSCHBRQFSEV-JSGCOSHPSA-N 2 1 289.379 -0.043 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662800939 419729429 /nfs/dbraw/zinc/72/94/29/419729429.db2.gz HEXJHKJBXYDZFB-VXGBXAGGSA-N 2 1 255.362 -0.097 20 0 CBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])[C@H]2C1 ZINC000662812996 419733415 /nfs/dbraw/zinc/73/34/15/419733415.db2.gz XKWZGKJCZZVQKA-MROQNXINSA-N 2 1 283.372 -0.718 20 0 CBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])[C@@H]2C1 ZINC000662812997 419734400 /nfs/dbraw/zinc/73/44/00/419734400.db2.gz XKWZGKJCZZVQKA-NDBYEHHHSA-N 2 1 283.372 -0.718 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662846710 419745535 /nfs/dbraw/zinc/74/55/35/419745535.db2.gz TUAIEPXLJQDMGO-JTQLQIEISA-N 2 1 255.362 -0.443 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000648136203 419750296 /nfs/dbraw/zinc/75/02/96/419750296.db2.gz GYMDPIUEEJMDMI-HZSPNIEDSA-N 2 1 280.416 -0.167 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662875731 419760025 /nfs/dbraw/zinc/76/00/25/419760025.db2.gz MOBZNVHVERBRIT-UHFFFAOYSA-N 2 1 280.416 -0.036 20 0 CBADMP C[C@H](C(=O)N1CC2CC1(C[NH3+])C2)N1CC[NH+](C)CC1 ZINC000662875273 419762006 /nfs/dbraw/zinc/76/20/06/419762006.db2.gz IBFRIXKTZOCELX-LKSINWNRSA-N 2 1 266.389 -0.428 20 0 CBADMP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648161111 419762279 /nfs/dbraw/zinc/76/22/79/419762279.db2.gz YPLNBVDWJUVUQF-UTUOFQBUSA-N 2 1 253.346 -0.425 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648161111 419762287 /nfs/dbraw/zinc/76/22/87/419762287.db2.gz YPLNBVDWJUVUQF-UTUOFQBUSA-N 2 1 253.346 -0.425 20 0 CBADMP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662907400 419765807 /nfs/dbraw/zinc/76/58/07/419765807.db2.gz UNYXBKAVLXRRRC-UONOGXRCSA-N 2 1 296.415 -0.739 20 0 CBADMP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662908349 419766485 /nfs/dbraw/zinc/76/64/85/419766485.db2.gz SXXHWNWMVVRSIB-STQMWFEESA-N 2 1 268.405 -0.119 20 0 CBADMP CC1(C)C[NH2+][C@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662906546 419767129 /nfs/dbraw/zinc/76/71/29/419767129.db2.gz NNAODNZCZZCMQN-RYUDHWBXSA-N 2 1 266.389 -0.510 20 0 CBADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662906403 419767775 /nfs/dbraw/zinc/76/77/75/419767775.db2.gz JZSMLKOPPQMYES-OLZOCXBDSA-N 2 1 284.404 -0.755 20 0 CBADMP CCN1CC[NH+](CCC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000662921648 419774050 /nfs/dbraw/zinc/77/40/50/419774050.db2.gz ARSDOXOMPXSRHC-UHFFFAOYSA-N 2 1 280.416 -0.118 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000662927365 419777443 /nfs/dbraw/zinc/77/74/43/419777443.db2.gz WJIPMDZWRCCWKA-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662923329 419779300 /nfs/dbraw/zinc/77/93/00/419779300.db2.gz LFCHGJVBWPSRTC-UHFFFAOYSA-N 2 1 298.431 -0.018 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000662929463 419781947 /nfs/dbraw/zinc/78/19/47/419781947.db2.gz AYZXQRFODAVWKT-GFCCVEGCSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000662937360 419783555 /nfs/dbraw/zinc/78/35/55/419783555.db2.gz GUUIRTDEJDDZTR-LBPRGKRZSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000662937360 419783562 /nfs/dbraw/zinc/78/35/62/419783562.db2.gz GUUIRTDEJDDZTR-LBPRGKRZSA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662786029 419723494 /nfs/dbraw/zinc/72/34/94/419723494.db2.gz YQUMALXVKSCZLL-SCVCMEIPSA-N 2 1 259.325 -0.490 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662787856 419723808 /nfs/dbraw/zinc/72/38/08/419723808.db2.gz UFVMIKUAAAXPBC-HAQNSBGRSA-N 2 1 255.362 -0.096 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649271785 419858023 /nfs/dbraw/zinc/85/80/23/419858023.db2.gz XVOOCTFBANGPOL-UHFFFAOYSA-N 2 1 256.394 -0.308 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)C[C@@H]21 ZINC000662976870 419805155 /nfs/dbraw/zinc/80/51/55/419805155.db2.gz RJHNOOFFTVBKEY-OOLXCHQQSA-N 2 1 292.383 -0.901 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C[C@@H]21 ZINC000662994836 419808174 /nfs/dbraw/zinc/80/81/74/419808174.db2.gz ZLBRTYRFSKOCKZ-KKOKHZNYSA-N 2 1 298.362 -0.953 20 0 CBADMP C[C@H](C(=O)N[C@@]1(C)CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000663013924 419809810 /nfs/dbraw/zinc/80/98/10/419809810.db2.gz QWKIBVXVTPCHHA-YPMHNXCESA-N 2 1 254.378 -0.510 20 0 CBADMP C[C@H](C(=O)N[C@]1(C)CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000663013920 419810215 /nfs/dbraw/zinc/81/02/15/419810215.db2.gz QWKIBVXVTPCHHA-DGCLKSJQSA-N 2 1 254.378 -0.510 20 0 CBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000649076013 419835781 /nfs/dbraw/zinc/83/57/81/419835781.db2.gz OPQQHPCSCXOYMU-NEPJUHHUSA-N 2 1 282.388 -0.341 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000353580414 419839373 /nfs/dbraw/zinc/83/93/73/419839373.db2.gz TYKHNPRCSQZYAV-MWLCHTKSSA-N 2 1 268.361 -0.678 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000353580414 419839378 /nfs/dbraw/zinc/83/93/78/419839378.db2.gz TYKHNPRCSQZYAV-MWLCHTKSSA-N 2 1 268.361 -0.678 20 0 CBADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000353594871 419839711 /nfs/dbraw/zinc/83/97/11/419839711.db2.gz ZCELLOYTPSILOG-SRVKXCTJSA-N 2 1 284.404 -0.184 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000353580411 419839802 /nfs/dbraw/zinc/83/98/02/419839802.db2.gz TYKHNPRCSQZYAV-GXSJLCMTSA-N 2 1 268.361 -0.678 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000353580411 419839808 /nfs/dbraw/zinc/83/98/08/419839808.db2.gz TYKHNPRCSQZYAV-GXSJLCMTSA-N 2 1 268.361 -0.678 20 0 CBADMP N[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC[C@H]1F ZINC000663505495 419843915 /nfs/dbraw/zinc/84/39/15/419843915.db2.gz JGMGEHKHSROWIU-IJLUTSLNSA-N 2 1 272.368 -0.445 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](CN2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000663505495 419843919 /nfs/dbraw/zinc/84/39/19/419843919.db2.gz JGMGEHKHSROWIU-IJLUTSLNSA-N 2 1 272.368 -0.445 20 0 CBADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000649271616 419857536 /nfs/dbraw/zinc/85/75/36/419857536.db2.gz OZNQARIAFOBAFM-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662946000 419789245 /nfs/dbraw/zinc/78/92/45/419789245.db2.gz YPIJMGCMCWFFQW-CHWSQXEVSA-N 2 1 286.395 -0.088 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]cn2)CCN1 ZINC000662952394 419792170 /nfs/dbraw/zinc/79/21/70/419792170.db2.gz FBAVTNIKUJMDAA-SECBINFHSA-N 2 1 265.317 -0.812 20 0 CBADMP C[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@H]1[NH3+] ZINC000347057379 419794792 /nfs/dbraw/zinc/79/47/92/419794792.db2.gz VYUDCKMYQNKYSP-GXSJLCMTSA-N 2 1 266.345 -0.747 20 0 CBADMP C[C@H](CCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000664082228 419879166 /nfs/dbraw/zinc/87/91/66/419879166.db2.gz ACOLMKMNFUVCQO-OLZOCXBDSA-N 2 1 285.436 -0.128 20 0 CBADMP C[C@H](CNC(=O)COC1(C)C[NH2+]C1)C[NH+]1CCOCC1 ZINC000649312538 419879770 /nfs/dbraw/zinc/87/97/70/419879770.db2.gz XWFXDXHMUFWAMA-GFCCVEGCSA-N 2 1 285.388 -0.551 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649314152 419879995 /nfs/dbraw/zinc/87/99/95/419879995.db2.gz OYGDFJJTMCCFOP-SNVBAGLBSA-N 2 1 279.331 -0.074 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000649322899 419881099 /nfs/dbraw/zinc/88/10/99/419881099.db2.gz UYTADTHAMZJLBF-OCCSQVGLSA-N 2 1 296.415 -0.314 20 0 CBADMP O=C([C@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649321130 419884334 /nfs/dbraw/zinc/88/43/34/419884334.db2.gz MMLYOPMBGFGOBR-JHJVBQTASA-N 2 1 267.373 -0.204 20 0 CBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C3([NH3+])CC3)C2)CC1 ZINC000649334034 419892306 /nfs/dbraw/zinc/89/23/06/419892306.db2.gz CYNRKPWKWJINIM-NSHDSACASA-N 2 1 266.389 -0.238 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C3([NH3+])CC3)C2)CC1 ZINC000649334034 419892312 /nfs/dbraw/zinc/89/23/12/419892312.db2.gz CYNRKPWKWJINIM-NSHDSACASA-N 2 1 266.389 -0.238 20 0 CBADMP Cc1ccc(NCCCNC(=O)COCC[NH3+])[nH+]c1 ZINC000649334927 419895286 /nfs/dbraw/zinc/89/52/86/419895286.db2.gz WXMLJNAEBHGFAN-UHFFFAOYSA-N 2 1 266.345 0.284 20 0 CBADMP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000649279079 419861182 /nfs/dbraw/zinc/86/11/82/419861182.db2.gz UKMRTXHGIZYYOW-IGQOVBAYSA-N 2 1 279.384 -0.225 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649280791 419862393 /nfs/dbraw/zinc/86/23/93/419862393.db2.gz LUWHDKAIUAXDEC-MQYQWHSLSA-N 2 1 281.400 -0.075 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000666923989 544651086 /nfs/dbraw/zinc/65/10/86/544651086.db2.gz WJUDCGLLQYRVDM-GXTWGEPZSA-N 2 1 284.404 -0.164 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000666923989 544651089 /nfs/dbraw/zinc/65/10/89/544651089.db2.gz WJUDCGLLQYRVDM-GXTWGEPZSA-N 2 1 284.404 -0.164 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000666923989 544651093 /nfs/dbraw/zinc/65/10/93/544651093.db2.gz WJUDCGLLQYRVDM-GXTWGEPZSA-N 2 1 284.404 -0.164 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000649349367 419899205 /nfs/dbraw/zinc/89/92/05/419899205.db2.gz DBRUUPBTMBNVQT-GFCCVEGCSA-N 2 1 268.405 -0.262 20 0 CBADMP O[C@@H]1CN(Cc2ccnn2-c2ccncc2)C[C@@H]1O ZINC000667648932 544669259 /nfs/dbraw/zinc/66/92/59/544669259.db2.gz DVSBXRDZQIEMDO-BETUJISGSA-N 2 1 260.297 -0.195 20 0 CBADMP CCC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@H+]1CCOC ZINC000649379159 419906988 /nfs/dbraw/zinc/90/69/88/419906988.db2.gz OCMXOENZMMNAAD-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H](C(=O)N1CC[NH2+]C[C@H]1c1nccn1C)[NH+](C)C ZINC000649360803 419904088 /nfs/dbraw/zinc/90/40/88/419904088.db2.gz QWLVNHMHJAKMNT-QWRGUYRKSA-N 2 1 265.361 -0.157 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649350650 419904137 /nfs/dbraw/zinc/90/41/37/419904137.db2.gz WKXAWUHEMMRVBB-WDNDVIMCSA-N 2 1 280.416 -0.404 20 0 CBADMP C[C@H](CNC(=O)COC1(C)C[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000649351390 419904911 /nfs/dbraw/zinc/90/49/11/419904911.db2.gz TWKBOAODVQDQQX-CYBMUJFWSA-N 2 1 298.431 -0.635 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649352903 419905242 /nfs/dbraw/zinc/90/52/42/419905242.db2.gz SVJWFGUWFOEEAU-QWRGUYRKSA-N 2 1 290.358 -0.407 20 0 CBADMP C(C[N@H+]1CC[C@@H](CN2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000649413785 419909222 /nfs/dbraw/zinc/90/92/22/419909222.db2.gz DKEIFJFRVILNSA-OAHLLOKOSA-N 2 1 282.432 -0.454 20 0 CBADMP C[C@H](CN1CCOC[C@@H](O)C1)C[N@@H+]1CCOC[C@H](O)C1 ZINC000664774344 419915937 /nfs/dbraw/zinc/91/59/37/419915937.db2.gz MYGMWHZFHZTZFP-BTTYYORXSA-N 2 1 288.388 -0.991 20 0 CBADMP C[C@H](CN1CCOC[C@@H](O)C1)C[N@H+]1CCOC[C@H](O)C1 ZINC000664774344 419915940 /nfs/dbraw/zinc/91/59/40/419915940.db2.gz MYGMWHZFHZTZFP-BTTYYORXSA-N 2 1 288.388 -0.991 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000358674016 419911977 /nfs/dbraw/zinc/91/19/77/419911977.db2.gz BNRJJRQEHGOQMH-IPYPFGDCSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000358674016 419911981 /nfs/dbraw/zinc/91/19/81/419911981.db2.gz BNRJJRQEHGOQMH-IPYPFGDCSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000358674016 419911987 /nfs/dbraw/zinc/91/19/87/419911987.db2.gz BNRJJRQEHGOQMH-IPYPFGDCSA-N 2 1 296.415 -0.021 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000358674586 419913505 /nfs/dbraw/zinc/91/35/05/419913505.db2.gz BNRJJRQEHGOQMH-YDHLFZDLSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000358674586 419913509 /nfs/dbraw/zinc/91/35/09/419913509.db2.gz BNRJJRQEHGOQMH-YDHLFZDLSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000358674586 419913514 /nfs/dbraw/zinc/91/35/14/419913514.db2.gz BNRJJRQEHGOQMH-YDHLFZDLSA-N 2 1 296.415 -0.021 20 0 CBADMP C[C@@H]1[C@H](O)CCN1CC(O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000664779161 419915804 /nfs/dbraw/zinc/91/58/04/419915804.db2.gz YUUKNEVAGRMLJD-FPQZTECRSA-N 2 1 258.362 -0.743 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000669403282 544749097 /nfs/dbraw/zinc/74/90/97/544749097.db2.gz RHVSDZIJFZFPIS-QJPTWQEYSA-N 2 1 270.377 -0.162 20 0 CBADMP CN1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000669491022 544750192 /nfs/dbraw/zinc/75/01/92/544750192.db2.gz IPBUOFCTNFIDHQ-UONOGXRCSA-N 2 1 295.431 -0.245 20 0 CBADMP C[C@@H](NC(=O)NCC[NH2+]C1CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538184 544752445 /nfs/dbraw/zinc/75/24/45/544752445.db2.gz CUGGJUIDDFBNLH-PWSUYJOCSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@@H](NC(=O)NCC[NH2+]C1CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538184 544752447 /nfs/dbraw/zinc/75/24/47/544752447.db2.gz CUGGJUIDDFBNLH-PWSUYJOCSA-N 2 1 270.377 -0.243 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000669538491 544753692 /nfs/dbraw/zinc/75/36/92/544753692.db2.gz TXRZSYIMLOVKQL-UTUOFQBUSA-N 2 1 272.393 -0.012 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538491 544753695 /nfs/dbraw/zinc/75/36/95/544753695.db2.gz TXRZSYIMLOVKQL-UTUOFQBUSA-N 2 1 272.393 -0.012 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C[C@H](C)[N@@H+]1C ZINC000358713756 419916437 /nfs/dbraw/zinc/91/64/37/419916437.db2.gz SDAWPGJKSPKJEC-HZSPNIEDSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C[C@H](C)[NH+]1C ZINC000358713756 419916444 /nfs/dbraw/zinc/91/64/44/419916444.db2.gz SDAWPGJKSPKJEC-HZSPNIEDSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C[C@H](C)[NH+]1C ZINC000358713756 419916448 /nfs/dbraw/zinc/91/64/48/419916448.db2.gz SDAWPGJKSPKJEC-HZSPNIEDSA-N 2 1 280.416 -0.073 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000671816898 544834006 /nfs/dbraw/zinc/83/40/06/544834006.db2.gz MVZFOTYIYUZPMS-NWDGAFQWSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000671816898 544834007 /nfs/dbraw/zinc/83/40/07/544834007.db2.gz MVZFOTYIYUZPMS-NWDGAFQWSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000671816898 544834011 /nfs/dbraw/zinc/83/40/11/544834011.db2.gz MVZFOTYIYUZPMS-NWDGAFQWSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000671817258 544834476 /nfs/dbraw/zinc/83/44/76/544834476.db2.gz KLTNCGDFPLTIQS-YPMHNXCESA-N 2 1 294.399 -0.498 20 0 CBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[N@@H+](C)CC1 ZINC000359012881 419938604 /nfs/dbraw/zinc/93/86/04/419938604.db2.gz PEQHBEWJLBTSFK-CQSZACIVSA-N 2 1 297.447 -0.031 20 0 CBADMP CC[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000359228955 419951988 /nfs/dbraw/zinc/95/19/88/419951988.db2.gz JOJXLOUZUDFIDP-NWDGAFQWSA-N 2 1 256.394 -0.311 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](O)C2)C1 ZINC000650725217 419967082 /nfs/dbraw/zinc/96/70/82/419967082.db2.gz VYIPXOBKNVOLIK-VXGBXAGGSA-N 2 1 255.362 -0.360 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CN2CCOCC2)C1 ZINC000359954042 419998367 /nfs/dbraw/zinc/99/83/67/419998367.db2.gz IABXHSMERCLNDK-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CN2CCOCC2)C1 ZINC000359954042 419998369 /nfs/dbraw/zinc/99/83/69/419998369.db2.gz IABXHSMERCLNDK-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CSC[NH2+]1 ZINC000360204484 420009821 /nfs/dbraw/zinc/00/98/21/420009821.db2.gz MINUACUDDNAHNZ-NSHDSACASA-N 2 1 273.402 -0.388 20 0 CBADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2COC[C@H]2O)CC1 ZINC000361293833 420019584 /nfs/dbraw/zinc/01/95/84/420019584.db2.gz AQLJPSWFSMFTMK-FPMFFAJLSA-N 2 1 272.389 -0.229 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365329913 420061627 /nfs/dbraw/zinc/06/16/27/420061627.db2.gz JNGOSWBUICJCFQ-ZDEQEGDKSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365329911 420062174 /nfs/dbraw/zinc/06/21/74/420062174.db2.gz JNGOSWBUICJCFQ-FVCCEPFGSA-N 2 1 269.389 -0.054 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000365601431 420063241 /nfs/dbraw/zinc/06/32/41/420063241.db2.gz IOLGSPYEAWBEQK-AVGNSLFASA-N 2 1 283.372 -0.704 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000365601431 420063243 /nfs/dbraw/zinc/06/32/43/420063243.db2.gz IOLGSPYEAWBEQK-AVGNSLFASA-N 2 1 283.372 -0.704 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000365601431 420063245 /nfs/dbraw/zinc/06/32/45/420063245.db2.gz IOLGSPYEAWBEQK-AVGNSLFASA-N 2 1 283.372 -0.704 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000365601431 420063246 /nfs/dbraw/zinc/06/32/46/420063246.db2.gz IOLGSPYEAWBEQK-AVGNSLFASA-N 2 1 283.372 -0.704 20 0 CBADMP C[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000652464805 420067202 /nfs/dbraw/zinc/06/72/02/420067202.db2.gz CUXPJZNDXGVBFL-TUAOUCFPSA-N 2 1 272.393 -0.045 20 0 CBADMP C[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000652464805 420067205 /nfs/dbraw/zinc/06/72/05/420067205.db2.gz CUXPJZNDXGVBFL-TUAOUCFPSA-N 2 1 272.393 -0.045 20 0 CBADMP COC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367607815 420111246 /nfs/dbraw/zinc/11/12/46/420111246.db2.gz PJNZFXIQDOLKMW-TUAOUCFPSA-N 2 1 271.361 -0.670 20 0 CBADMP COC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367607815 420111249 /nfs/dbraw/zinc/11/12/49/420111249.db2.gz PJNZFXIQDOLKMW-TUAOUCFPSA-N 2 1 271.361 -0.670 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000367652697 420112165 /nfs/dbraw/zinc/11/21/65/420112165.db2.gz GVUKBLXUSAWRBE-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000653105145 420115877 /nfs/dbraw/zinc/11/58/77/420115877.db2.gz HSVWKIDIQVPUAN-NWDGAFQWSA-N 2 1 256.394 -0.134 20 0 CBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110421 420115935 /nfs/dbraw/zinc/11/59/35/420115935.db2.gz IFZQUBOIUHXKAZ-XUJVJEKNSA-N 2 1 279.384 -0.177 20 0 CBADMP O=C(N1CC[NH+](C2CC2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653108051 420116495 /nfs/dbraw/zinc/11/64/95/420116495.db2.gz HEQVTXZXOFRVGO-FZMZJTMJSA-N 2 1 265.357 -0.471 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110428 420117426 /nfs/dbraw/zinc/11/74/26/420117426.db2.gz IJZJZSFNFBWFBL-XPCVCDNBSA-N 2 1 279.384 -0.035 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653109512 420117622 /nfs/dbraw/zinc/11/76/22/420117622.db2.gz DHOCXXOBPIZUPD-JSGCOSHPSA-N 2 1 278.356 -0.066 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653122252 420119610 /nfs/dbraw/zinc/11/96/10/420119610.db2.gz RKGZKOFWNKHRGY-DYEKYZERSA-N 2 1 267.373 -0.320 20 0 CBADMP CN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000653117131 420119861 /nfs/dbraw/zinc/11/98/61/420119861.db2.gz AMXHAPOYZXQDAN-QWHCGFSZSA-N 2 1 268.405 -0.040 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653124016 420119890 /nfs/dbraw/zinc/11/98/90/420119890.db2.gz OEZWCFQYPYOEGY-RAIGVLPGSA-N 2 1 268.405 -0.136 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116824 420120349 /nfs/dbraw/zinc/12/03/49/420120349.db2.gz VDHBHXYCATYHIM-YDHLFZDLSA-N 2 1 297.399 -0.551 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653124015 420120404 /nfs/dbraw/zinc/12/04/04/420120404.db2.gz OEZWCFQYPYOEGY-KGYLQXTDSA-N 2 1 268.405 -0.136 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653147784 420123184 /nfs/dbraw/zinc/12/31/84/420123184.db2.gz AAMKAGRGMULHFU-CYBMUJFWSA-N 2 1 286.420 -0.554 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000653221410 420128322 /nfs/dbraw/zinc/12/83/22/420128322.db2.gz VZLGOPDRKKJFSL-NSHDSACASA-N 2 1 255.362 -0.048 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000653221410 420128328 /nfs/dbraw/zinc/12/83/28/420128328.db2.gz VZLGOPDRKKJFSL-NSHDSACASA-N 2 1 255.362 -0.048 20 0 CBADMP [NH3+]Cc1ccc(CNC(=O)[C@H]2COCC[NH2+]2)c(F)c1 ZINC000653223478 420128840 /nfs/dbraw/zinc/12/88/40/420128840.db2.gz OXYUOOUGLAJJPS-GFCCVEGCSA-N 2 1 267.304 -0.111 20 0 CBADMP CCO[C@@H]1CN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000653247866 420129789 /nfs/dbraw/zinc/12/97/89/420129789.db2.gz VXBRLWCGQWNGKX-MGPQQGTHSA-N 2 1 298.431 -0.556 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000368482563 420135120 /nfs/dbraw/zinc/13/51/20/420135120.db2.gz KXBYKKKEJWPDRG-GFCCVEGCSA-N 2 1 267.373 -0.393 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000368482563 420135125 /nfs/dbraw/zinc/13/51/25/420135125.db2.gz KXBYKKKEJWPDRG-GFCCVEGCSA-N 2 1 267.373 -0.393 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000368570733 420137214 /nfs/dbraw/zinc/13/72/14/420137214.db2.gz YXDRDIHUZCGBIB-RYUDHWBXSA-N 2 1 282.388 -0.334 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NCCC1CC[NH2+]CC1)C1CC1 ZINC000652675478 420070603 /nfs/dbraw/zinc/07/06/03/420070603.db2.gz YCCCWARYYUEABS-UHFFFAOYSA-N 2 1 296.415 -0.297 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCC1C[NH2+]C1 ZINC000652698049 420073339 /nfs/dbraw/zinc/07/33/39/420073339.db2.gz UHIUTPXVBSCPJA-UHFFFAOYSA-N 2 1 284.404 -0.584 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000652696560 420073840 /nfs/dbraw/zinc/07/38/40/420073840.db2.gz MUURCSQCACGKSB-NSHDSACASA-N 2 1 272.393 -0.456 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000652706135 420075071 /nfs/dbraw/zinc/07/50/71/420075071.db2.gz VWTOTFPBXXRFTG-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C[NH2+]C)CC2)C1 ZINC000370778633 420187452 /nfs/dbraw/zinc/18/74/52/420187452.db2.gz HVUKBXUWYOIGAQ-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)C[NH2+]C)CC2)C1 ZINC000370778633 420187458 /nfs/dbraw/zinc/18/74/58/420187458.db2.gz HVUKBXUWYOIGAQ-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP CC[C@](C)([NH3+])c1cn(C[C@@H](O)C[N@@H+](C)CCOC)nn1 ZINC000384183306 420201072 /nfs/dbraw/zinc/20/10/72/420201072.db2.gz RAXBVCJTVYBONK-AAEUAGOBSA-N 2 1 285.392 -0.199 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000389716218 420204481 /nfs/dbraw/zinc/20/44/81/420204481.db2.gz JEMQJTMDWCESNO-LBPRGKRZSA-N 2 1 254.378 -0.508 20 0 CBADMP C[NH2+][C@@H](C)c1cn(C[C@H](O)C[N@@H+](C)CCOC)nn1 ZINC000388647227 420205564 /nfs/dbraw/zinc/20/55/64/420205564.db2.gz YUTCKWZHKNZVFU-WDEREUQCSA-N 2 1 271.365 -0.502 20 0 CBADMP C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+]1CC(C)C1 ZINC000655000315 420209152 /nfs/dbraw/zinc/20/91/52/420209152.db2.gz DGVGCVJQQGCTTP-AAEUAGOBSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+]1CC(C)C1 ZINC000655000315 420209155 /nfs/dbraw/zinc/20/91/55/420209155.db2.gz DGVGCVJQQGCTTP-AAEUAGOBSA-N 2 1 255.362 -0.491 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC1(C)C ZINC000655051745 420213524 /nfs/dbraw/zinc/21/35/24/420213524.db2.gz HHFVDCUAUQEMDR-CYBMUJFWSA-N 2 1 280.416 -0.071 20 0 CBADMP C[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1(C)C ZINC000655051745 420213531 /nfs/dbraw/zinc/21/35/31/420213531.db2.gz HHFVDCUAUQEMDR-CYBMUJFWSA-N 2 1 280.416 -0.071 20 0 CBADMP C[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1(C)C ZINC000655051745 420213538 /nfs/dbraw/zinc/21/35/38/420213538.db2.gz HHFVDCUAUQEMDR-CYBMUJFWSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1C[NH3+] ZINC000397248496 420214712 /nfs/dbraw/zinc/21/47/12/420214712.db2.gz BSECIBNWLWCBTO-UTUOFQBUSA-N 2 1 294.399 -0.111 20 0 CBADMP [NH2+]=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCOCC1 ZINC000369018281 420148641 /nfs/dbraw/zinc/14/86/41/420148641.db2.gz WXFRUCXNSUGBBS-VXGBXAGGSA-N 2 1 268.361 -0.294 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000653542038 420148956 /nfs/dbraw/zinc/14/89/56/420148956.db2.gz DKRNQNAYSUFCKG-KKUMJFAQSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](CO)(COC)C1 ZINC000653755094 420160417 /nfs/dbraw/zinc/16/04/17/420160417.db2.gz CHYDATRNBMTGDL-CHWSQXEVSA-N 2 1 260.378 -0.370 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](CO)(COC)C1 ZINC000653755094 420160422 /nfs/dbraw/zinc/16/04/22/420160422.db2.gz CHYDATRNBMTGDL-CHWSQXEVSA-N 2 1 260.378 -0.370 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](CO)(COC)C1 ZINC000653755094 420160427 /nfs/dbraw/zinc/16/04/27/420160427.db2.gz CHYDATRNBMTGDL-CHWSQXEVSA-N 2 1 260.378 -0.370 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](CO)(COC)C1 ZINC000653755094 420160431 /nfs/dbraw/zinc/16/04/31/420160431.db2.gz CHYDATRNBMTGDL-CHWSQXEVSA-N 2 1 260.378 -0.370 20 0 CBADMP C[NH+](C)CCN1CC[N@H+](CC[C@H]2CCNC2=O)CC1=O ZINC000653778124 420163060 /nfs/dbraw/zinc/16/30/60/420163060.db2.gz CPIMGHCCDOQMAG-GFCCVEGCSA-N 2 1 282.388 -0.782 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](CC[C@H]2CCNC2=O)CC1=O ZINC000653778124 420163065 /nfs/dbraw/zinc/16/30/65/420163065.db2.gz CPIMGHCCDOQMAG-GFCCVEGCSA-N 2 1 282.388 -0.782 20 0 CBADMP CCN1CCO[C@@H](C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000369679189 420163103 /nfs/dbraw/zinc/16/31/03/420163103.db2.gz DWHUMIFTVKXUSA-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C2CC2)C1 ZINC000369679189 420163107 /nfs/dbraw/zinc/16/31/07/420163107.db2.gz DWHUMIFTVKXUSA-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C2CC2)C1 ZINC000369679189 420163112 /nfs/dbraw/zinc/16/31/12/420163112.db2.gz DWHUMIFTVKXUSA-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000369679189 420163117 /nfs/dbraw/zinc/16/31/17/420163117.db2.gz DWHUMIFTVKXUSA-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+](C)CCN1CC[N@H+](CC[C@@H]2CCNC2=O)CC1=O ZINC000653778125 420163330 /nfs/dbraw/zinc/16/33/30/420163330.db2.gz CPIMGHCCDOQMAG-LBPRGKRZSA-N 2 1 282.388 -0.782 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](CC[C@@H]2CCNC2=O)CC1=O ZINC000653778125 420163335 /nfs/dbraw/zinc/16/33/35/420163335.db2.gz CPIMGHCCDOQMAG-LBPRGKRZSA-N 2 1 282.388 -0.782 20 0 CBADMP CN1CCN(C(=O)C[N@H+]2CCc3cc[nH]c(=O)c3C2)CC1 ZINC000369589260 420164295 /nfs/dbraw/zinc/16/42/95/420164295.db2.gz WXPJVASSBSLWOP-UHFFFAOYSA-N 2 1 290.367 -0.081 20 0 CBADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[N@@H+](C)CC2)CC1=O ZINC000369936765 420170004 /nfs/dbraw/zinc/17/00/04/420170004.db2.gz NCFUHXKKFWOFNX-ZDUSSCGKSA-N 2 1 296.415 -0.439 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654415859 420177963 /nfs/dbraw/zinc/17/79/63/420177963.db2.gz PSUYHEYYEXEOCC-QWHCGFSZSA-N 2 1 293.371 -0.348 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654415859 420177973 /nfs/dbraw/zinc/17/79/73/420177973.db2.gz PSUYHEYYEXEOCC-QWHCGFSZSA-N 2 1 293.371 -0.348 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000655247084 420233222 /nfs/dbraw/zinc/23/32/22/420233222.db2.gz RSOGKQJIAKSWNG-TUAOUCFPSA-N 2 1 255.362 -0.227 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000655247084 420233225 /nfs/dbraw/zinc/23/32/25/420233225.db2.gz RSOGKQJIAKSWNG-TUAOUCFPSA-N 2 1 255.362 -0.227 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655295969 420237837 /nfs/dbraw/zinc/23/78/37/420237837.db2.gz RTGLCSJSMWNFSQ-YNEHKIRRSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295969 420237840 /nfs/dbraw/zinc/23/78/40/420237840.db2.gz RTGLCSJSMWNFSQ-YNEHKIRRSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295969 420237844 /nfs/dbraw/zinc/23/78/44/420237844.db2.gz RTGLCSJSMWNFSQ-YNEHKIRRSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655295152 420238813 /nfs/dbraw/zinc/23/88/13/420238813.db2.gz URZRGXZIENWHRI-RWMBFGLXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655295152 420238815 /nfs/dbraw/zinc/23/88/15/420238815.db2.gz URZRGXZIENWHRI-RWMBFGLXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655295152 420238818 /nfs/dbraw/zinc/23/88/18/420238818.db2.gz URZRGXZIENWHRI-RWMBFGLXSA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000419018930 420243733 /nfs/dbraw/zinc/24/37/33/420243733.db2.gz CWJSEIRSCAHGGD-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[N@@H+](C)C1CC1 ZINC000419593589 420245206 /nfs/dbraw/zinc/24/52/06/420245206.db2.gz SWONVFZZQQDSIX-UTUOFQBUSA-N 2 1 296.415 -0.206 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419836372 420245726 /nfs/dbraw/zinc/24/57/26/420245726.db2.gz BMNXUVMQRHSYGL-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419898254 420247522 /nfs/dbraw/zinc/24/75/22/420247522.db2.gz WPMIGBPEEAKIKS-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419887556 420247637 /nfs/dbraw/zinc/24/76/37/420247637.db2.gz QPPNKEBWVFSVRR-FRRDWIJNSA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000419987126 420247842 /nfs/dbraw/zinc/24/78/42/420247842.db2.gz CYJXUGFZEPWYOE-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000420079261 420248152 /nfs/dbraw/zinc/24/81/52/420248152.db2.gz PUEPLFXZHJAPSM-LLVKDONJSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000420176771 420250010 /nfs/dbraw/zinc/25/00/10/420250010.db2.gz XOCHEWGVCLPUFH-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP O=C(CC[NH2+]C1CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000655453948 420251024 /nfs/dbraw/zinc/25/10/24/420251024.db2.gz UJYSLTMMCFOQDS-ZDUSSCGKSA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000422891015 420254067 /nfs/dbraw/zinc/25/40/67/420254067.db2.gz UJOJDUJXWUVCEB-FRRDWIJNSA-N 2 1 268.405 -0.086 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488054 420254986 /nfs/dbraw/zinc/25/49/86/420254986.db2.gz RZSKUFFINVTGDR-IGQOVBAYSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488054 420254993 /nfs/dbraw/zinc/25/49/93/420254993.db2.gz RZSKUFFINVTGDR-IGQOVBAYSA-N 2 1 299.415 -0.021 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487524 420255324 /nfs/dbraw/zinc/25/53/24/420255324.db2.gz GUAUJFZQGUKNCM-RVMXOQNASA-N 2 1 287.404 -0.036 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487524 420255327 /nfs/dbraw/zinc/25/53/27/420255327.db2.gz GUAUJFZQGUKNCM-RVMXOQNASA-N 2 1 287.404 -0.036 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000423370756 420255957 /nfs/dbraw/zinc/25/59/57/420255957.db2.gz DUYIJMQSICMROF-GFCCVEGCSA-N 2 1 284.404 -0.537 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000423370756 420255959 /nfs/dbraw/zinc/25/59/59/420255959.db2.gz DUYIJMQSICMROF-GFCCVEGCSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000424164952 420258435 /nfs/dbraw/zinc/25/84/35/420258435.db2.gz AQHGFFSCMWOWDI-UTUOFQBUSA-N 2 1 271.361 -0.848 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000430710418 420272964 /nfs/dbraw/zinc/27/29/64/420272964.db2.gz AMZOCTDKQGEPDD-STQMWFEESA-N 2 1 285.388 -0.408 20 0 CBADMP O=C(NCC1CC[NH2+]CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655962070 420282855 /nfs/dbraw/zinc/28/28/55/420282855.db2.gz HVFGKYCMQQRJMK-QWHCGFSZSA-N 2 1 282.388 -0.554 20 0 CBADMP O=C(N[C@H]1CCC[NH2+]C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963619 420283551 /nfs/dbraw/zinc/28/35/51/420283551.db2.gz KBXJSCZEYMPARK-SDDRHHMPSA-N 2 1 268.361 -0.801 20 0 CBADMP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968091 420284458 /nfs/dbraw/zinc/28/44/58/420284458.db2.gz MCDWOASKZYETJM-VPOLOUISSA-N 2 1 256.350 -0.818 20 0 CBADMP C[C@H](CCCC[NH3+])NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968001 420285447 /nfs/dbraw/zinc/28/54/47/420285447.db2.gz KNFOIKDRGBGMOS-FRRDWIJNSA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655965510 420285511 /nfs/dbraw/zinc/28/55/11/420285511.db2.gz FJYJPHAEHHDART-YVECIDJPSA-N 2 1 282.388 -0.555 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+]CCc1cncc(C)n1 ZINC000656717416 420320589 /nfs/dbraw/zinc/32/05/89/420320589.db2.gz WIOQIAYSPPFTMK-CQSZACIVSA-N 2 1 282.388 -0.144 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+]CCc1cncc(C)n1 ZINC000656717416 420320594 /nfs/dbraw/zinc/32/05/94/420320594.db2.gz WIOQIAYSPPFTMK-CQSZACIVSA-N 2 1 282.388 -0.144 20 0 CBADMP COC(=O)N1CC(NC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000496791142 420327453 /nfs/dbraw/zinc/32/74/53/420327453.db2.gz DVKRBPLPPRNWIA-NSHDSACASA-N 2 1 257.334 -0.518 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000673517874 544876150 /nfs/dbraw/zinc/87/61/50/544876150.db2.gz XVIHKRFPEGLKFV-STQMWFEESA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673517874 544876155 /nfs/dbraw/zinc/87/61/55/544876155.db2.gz XVIHKRFPEGLKFV-STQMWFEESA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673517874 544876158 /nfs/dbraw/zinc/87/61/58/544876158.db2.gz XVIHKRFPEGLKFV-STQMWFEESA-N 2 1 269.389 -0.006 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656019814 420293021 /nfs/dbraw/zinc/29/30/21/420293021.db2.gz KBRNBIDAERYCPM-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656023181 420294213 /nfs/dbraw/zinc/29/42/13/420294213.db2.gz XPQLARDNMVUCMF-UTUOFQBUSA-N 2 1 282.388 -0.417 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000516980191 420370662 /nfs/dbraw/zinc/37/06/62/420370662.db2.gz VQRQLXKIYOBCDA-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](CNC(=O)N(C)CCC[NH3+])CN1CC[NH+](C)CC1 ZINC000517042297 420371563 /nfs/dbraw/zinc/37/15/63/420371563.db2.gz QINVJWAHDVPWJM-ZDUSSCGKSA-N 2 1 285.436 -0.140 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000517238966 420373300 /nfs/dbraw/zinc/37/33/00/420373300.db2.gz NWDIDVJXXBOCLC-JMSVASOKSA-N 2 1 294.399 -0.558 20 0 CBADMP O=C(C(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000517731049 420379351 /nfs/dbraw/zinc/37/93/51/420379351.db2.gz DVXKOVZMYXNWMT-AGIUHOORSA-N 2 1 292.383 -0.887 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658691214 420384809 /nfs/dbraw/zinc/38/48/09/420384809.db2.gz XRIBCLZQCYMUNY-UHFFFAOYSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000658758530 420386188 /nfs/dbraw/zinc/38/61/88/420386188.db2.gz VPYGBKKHYFVCOT-ZDUSSCGKSA-N 2 1 296.415 -0.441 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000519714289 420387769 /nfs/dbraw/zinc/38/77/69/420387769.db2.gz OZEVSLBLXJJCPO-GUBZILKMSA-N 2 1 257.334 -0.524 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000673543288 544880112 /nfs/dbraw/zinc/88/01/12/544880112.db2.gz CQFIAGFXNSKECX-LLVKDONJSA-N 2 1 272.393 -0.491 20 0 CBADMP C[C@@H](NC(=O)N(C)CC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676303609 544947271 /nfs/dbraw/zinc/94/72/71/544947271.db2.gz FUBOHWRJDAANOL-VXGBXAGGSA-N 2 1 272.393 -0.092 20 0 CBADMP C[C@@H](NC(=O)N(C)CC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676303609 544947274 /nfs/dbraw/zinc/94/72/74/544947274.db2.gz FUBOHWRJDAANOL-VXGBXAGGSA-N 2 1 272.393 -0.092 20 0 CBADMP C[C@H](C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)N1CC[NH+](C)CC1 ZINC000676347984 544948655 /nfs/dbraw/zinc/94/86/55/544948655.db2.gz KYUWSESCEHDERJ-MJBXVCDLSA-N 2 1 298.431 -0.542 20 0 CBADMP NS(=O)(=O)CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675499946 544932304 /nfs/dbraw/zinc/93/23/04/544932304.db2.gz VMDBSADMGKDDGT-UHFFFAOYSA-N 2 1 284.385 -0.118 20 0 CBADMP C[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC000675921173 544936788 /nfs/dbraw/zinc/93/67/88/544936788.db2.gz WAGPRNNMTKBYKN-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676287030 544945088 /nfs/dbraw/zinc/94/50/88/544945088.db2.gz MZJUFVRNZLYIIJ-TUAOUCFPSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676287030 544945093 /nfs/dbraw/zinc/94/50/93/544945093.db2.gz MZJUFVRNZLYIIJ-TUAOUCFPSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676287030 544945097 /nfs/dbraw/zinc/94/50/97/544945097.db2.gz MZJUFVRNZLYIIJ-TUAOUCFPSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676287030 544945099 /nfs/dbraw/zinc/94/50/99/544945099.db2.gz MZJUFVRNZLYIIJ-TUAOUCFPSA-N 2 1 255.362 -0.227 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000677887003 544988619 /nfs/dbraw/zinc/98/86/19/544988619.db2.gz YQHPPPOHHBBJGM-LSDHHAIUSA-N 2 1 292.427 -0.023 20 0 CBADMP O=C(N[C@H]1CC[NH+](CC2CC2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677887003 544988623 /nfs/dbraw/zinc/98/86/23/544988623.db2.gz YQHPPPOHHBBJGM-LSDHHAIUSA-N 2 1 292.427 -0.023 20 0 CBADMP O=C(N[C@H]1CC[NH+](CC2CC2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677887003 544988628 /nfs/dbraw/zinc/98/86/28/544988628.db2.gz YQHPPPOHHBBJGM-LSDHHAIUSA-N 2 1 292.427 -0.023 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000677886997 544989703 /nfs/dbraw/zinc/98/97/03/544989703.db2.gz YQHPPPOHHBBJGM-CABCVRRESA-N 2 1 292.427 -0.023 20 0 CBADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677886997 544989707 /nfs/dbraw/zinc/98/97/07/544989707.db2.gz YQHPPPOHHBBJGM-CABCVRRESA-N 2 1 292.427 -0.023 20 0 CBADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677886997 544989713 /nfs/dbraw/zinc/98/97/13/544989713.db2.gz YQHPPPOHHBBJGM-CABCVRRESA-N 2 1 292.427 -0.023 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)NCC12CC(C1)C[NH2+]2 ZINC000659423627 420419411 /nfs/dbraw/zinc/41/94/11/420419411.db2.gz JXYKSRZIFSWNMU-UHFFFAOYSA-N 2 1 282.388 -0.240 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000659453818 420419840 /nfs/dbraw/zinc/41/98/40/420419840.db2.gz RUNLCLNHMALPQM-LLVKDONJSA-N 2 1 271.409 -0.389 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000659453589 420420138 /nfs/dbraw/zinc/42/01/38/420420138.db2.gz OFCLFULUXJPYHK-WDEREUQCSA-N 2 1 257.382 -0.861 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659453283 420420647 /nfs/dbraw/zinc/42/06/47/420420647.db2.gz JMMMLBGDEYWIHG-IJLUTSLNSA-N 2 1 287.383 -0.687 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659452612 420421089 /nfs/dbraw/zinc/42/10/89/420421089.db2.gz DHQRVGYMDMOHCT-LXVYMNJGSA-N 2 1 281.404 -0.635 20 0 CBADMP C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)[C@H]1C[N@H+](C)CCO1 ZINC000659471674 420422985 /nfs/dbraw/zinc/42/29/85/420422985.db2.gz UZYGZVUPHSVTHQ-KTEZZQQRSA-N 2 1 282.388 -0.243 20 0 CBADMP C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)[C@H]1C[N@@H+](C)CCO1 ZINC000659471674 420422988 /nfs/dbraw/zinc/42/29/88/420422988.db2.gz UZYGZVUPHSVTHQ-KTEZZQQRSA-N 2 1 282.388 -0.243 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000659491241 420423065 /nfs/dbraw/zinc/42/30/65/420423065.db2.gz QBAIFLCZJHEMAV-LBPRGKRZSA-N 2 1 285.436 -0.081 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC1([NH3+])CCCC1 ZINC000659576542 420435263 /nfs/dbraw/zinc/43/52/63/420435263.db2.gz DACMFPAZPZEOSE-LBPRGKRZSA-N 2 1 284.404 -0.034 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC1([NH3+])CCCC1 ZINC000659576542 420435270 /nfs/dbraw/zinc/43/52/70/420435270.db2.gz DACMFPAZPZEOSE-LBPRGKRZSA-N 2 1 284.404 -0.034 20 0 CBADMP CC[N@H+]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C[C@@H]1C ZINC000677930642 545008624 /nfs/dbraw/zinc/00/86/24/545008624.db2.gz DLVDKGZCELXIML-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C[C@@H]1C ZINC000677930642 545008626 /nfs/dbraw/zinc/00/86/26/545008626.db2.gz DLVDKGZCELXIML-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C[C@@H]1C ZINC000677930642 545008627 /nfs/dbraw/zinc/00/86/27/545008627.db2.gz DLVDKGZCELXIML-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000659610166 420437193 /nfs/dbraw/zinc/43/71/93/420437193.db2.gz LZWXNKUVNNYIFK-OLZOCXBDSA-N 2 1 283.420 -0.245 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000679314609 545025624 /nfs/dbraw/zinc/02/56/24/545025624.db2.gz NFCKCDNDZALBSF-GFCCVEGCSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000679314609 545025626 /nfs/dbraw/zinc/02/56/26/545025626.db2.gz NFCKCDNDZALBSF-GFCCVEGCSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](CO)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000679423370 545028488 /nfs/dbraw/zinc/02/84/88/545028488.db2.gz URXLXMFECSPXGI-ZDUSSCGKSA-N 2 1 272.389 -0.226 20 0 CBADMP C[C@@H](CO)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000679423369 545028597 /nfs/dbraw/zinc/02/85/97/545028597.db2.gz URXLXMFECSPXGI-CYBMUJFWSA-N 2 1 272.389 -0.226 20 0 CBADMP C[C@@H]1C[C@H](O)CN1CC1(C[N@H+]2C[C@H](O)C[C@H]2C)COC1 ZINC000679857490 545033512 /nfs/dbraw/zinc/03/35/12/545033512.db2.gz ZEURQMVJFLDSDH-SYQHCUMBSA-N 2 1 284.400 -0.087 20 0 CBADMP C[C@@H]1C[C@@H](O)C[NH+]1CC1(C[N@H+]2C[C@@H](O)C[C@H]2C)COC1 ZINC000679857490 545033514 /nfs/dbraw/zinc/03/35/14/545033514.db2.gz ZEURQMVJFLDSDH-SYQHCUMBSA-N 2 1 284.400 -0.087 20 0 CBADMP C[C@@H]1C[C@@H](O)C[NH+]1CC1(C[N@@H+]2C[C@@H](O)C[C@H]2C)COC1 ZINC000679857490 545033516 /nfs/dbraw/zinc/03/35/16/545033516.db2.gz ZEURQMVJFLDSDH-SYQHCUMBSA-N 2 1 284.400 -0.087 20 0 CBADMP C[C@@H]1C[C@H](O)C[NH+]1CC1(C[N@@H+]2C[C@H](O)C[C@H]2C)COC1 ZINC000679857490 545033518 /nfs/dbraw/zinc/03/35/18/545033518.db2.gz ZEURQMVJFLDSDH-SYQHCUMBSA-N 2 1 284.400 -0.087 20 0 CBADMP C[C@@H]1C[C@H](O)C[NH+]1CC1(C[N@H+]2C[C@H](O)C[C@H]2C)COC1 ZINC000679857490 545033519 /nfs/dbraw/zinc/03/35/19/545033519.db2.gz ZEURQMVJFLDSDH-SYQHCUMBSA-N 2 1 284.400 -0.087 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000659750876 420467238 /nfs/dbraw/zinc/46/72/38/420467238.db2.gz ICRMADRHVHDEBX-SNVBAGLBSA-N 2 1 270.377 -0.737 20 0 CBADMP CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000683230080 545063498 /nfs/dbraw/zinc/06/34/98/545063498.db2.gz UDLOJVBYKHGNLJ-NEPJUHHUSA-N 2 1 292.449 -0.109 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000659758023 420468976 /nfs/dbraw/zinc/46/89/76/420468976.db2.gz XFRSDHXQRUNLSL-SDDRHHMPSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000659758220 420469102 /nfs/dbraw/zinc/46/91/02/420469102.db2.gz ZLIBDDLRCFCPGV-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000659756713 420469126 /nfs/dbraw/zinc/46/91/26/420469126.db2.gz SHMYEPZSWVVAOO-XQQFMLRXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000659756852 420469288 /nfs/dbraw/zinc/46/92/88/420469288.db2.gz VPQPOTNXTZZUCY-NEPJUHHUSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000659756852 420469290 /nfs/dbraw/zinc/46/92/90/420469290.db2.gz VPQPOTNXTZZUCY-NEPJUHHUSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000659756714 420469365 /nfs/dbraw/zinc/46/93/65/420469365.db2.gz SHMYEPZSWVVAOO-YNEHKIRRSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000683914865 545068634 /nfs/dbraw/zinc/06/86/34/545068634.db2.gz YRCYEURXQDPDHW-JSGCOSHPSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000683914865 545068636 /nfs/dbraw/zinc/06/86/36/545068636.db2.gz YRCYEURXQDPDHW-JSGCOSHPSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)C[NH2+]C)C[C@@H]1C ZINC000659756012 420469480 /nfs/dbraw/zinc/46/94/80/420469480.db2.gz PEOYZPHDDUBLHX-WOPDTQHZSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)C[NH2+]C)C[C@@H]1C ZINC000659756012 420469482 /nfs/dbraw/zinc/46/94/82/420469482.db2.gz PEOYZPHDDUBLHX-WOPDTQHZSA-N 2 1 284.404 -0.348 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C=C/C[NH+](C)C ZINC000491844733 230331482 /nfs/dbraw/zinc/33/14/82/230331482.db2.gz IWWMLLAFZIUOAH-BTDICHCPSA-N 2 1 254.378 -0.534 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000659636636 420441407 /nfs/dbraw/zinc/44/14/07/420441407.db2.gz XSZOSVVZDIRMHB-TUAOUCFPSA-N 2 1 272.393 -0.309 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000659641844 420442874 /nfs/dbraw/zinc/44/28/74/420442874.db2.gz ISGLXTULKMZKAT-NEPJUHHUSA-N 2 1 272.393 -0.260 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000659679550 420447690 /nfs/dbraw/zinc/44/76/90/420447690.db2.gz ZLLLFECZEJJACO-AKUZOMFGSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)CC[N@H+]1C ZINC000659677644 420447824 /nfs/dbraw/zinc/44/78/24/420447824.db2.gz GLSJREAZQJUQAP-NWDGAFQWSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)[C@H](C[NH3+])C1 ZINC000659684842 420448880 /nfs/dbraw/zinc/44/88/80/420448880.db2.gz KHMSBHCNPHAAHL-YPMHNXCESA-N 2 1 296.415 -0.217 20 0 CBADMP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659686531 420449135 /nfs/dbraw/zinc/44/91/35/420449135.db2.gz FHSLYVMRVHIYDK-LOIXOFCESA-N 2 1 292.383 -0.793 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659687103 420449158 /nfs/dbraw/zinc/44/91/58/420449158.db2.gz QOSUJDQDVBREHA-VHSXEESVSA-N 2 1 268.361 -0.937 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000659696818 420450896 /nfs/dbraw/zinc/45/08/96/420450896.db2.gz NVQANZUXZYMQKH-LLVKDONJSA-N 2 1 295.387 -0.188 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659693872 420451017 /nfs/dbraw/zinc/45/10/17/420451017.db2.gz CIXVRSNGCIIINA-ZYHUDNBSSA-N 2 1 296.415 -0.219 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000659701821 420452062 /nfs/dbraw/zinc/45/20/62/420452062.db2.gz JUPGWOXHVVEIAE-QWRGUYRKSA-N 2 1 282.388 -0.523 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000659701766 420452241 /nfs/dbraw/zinc/45/22/41/420452241.db2.gz JJRUSAQFYPBOIY-QJPTWQEYSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[N@@H+](C)C1CC1 ZINC000659703214 420452477 /nfs/dbraw/zinc/45/24/77/420452477.db2.gz XRZTVSXUBBSINH-RWWNRMGGSA-N 2 1 294.399 -0.547 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659705078 420453152 /nfs/dbraw/zinc/45/31/52/420453152.db2.gz SUHSGXZSKIQSDC-NSHDSACASA-N 2 1 296.415 -0.217 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000659709759 420453904 /nfs/dbraw/zinc/45/39/04/420453904.db2.gz LNYISYJTNPKCKK-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000659709755 420454429 /nfs/dbraw/zinc/45/44/29/420454429.db2.gz LNYISYJTNPKCKK-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659711983 420454860 /nfs/dbraw/zinc/45/48/60/420454860.db2.gz FEUPLUNBPLEQLI-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659711984 420455385 /nfs/dbraw/zinc/45/53/85/420455385.db2.gz FEUPLUNBPLEQLI-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000659714015 420455862 /nfs/dbraw/zinc/45/58/62/420455862.db2.gz IOSXFXRJRBFAKY-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000659716107 420456805 /nfs/dbraw/zinc/45/68/05/420456805.db2.gz VLMZGRSTDJJIDS-CHWSQXEVSA-N 2 1 296.415 -0.297 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000659717114 420457839 /nfs/dbraw/zinc/45/78/39/420457839.db2.gz ZWRYHMQDVDTYCL-UPJWGTAASA-N 2 1 296.415 -0.027 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000659718023 420457945 /nfs/dbraw/zinc/45/79/45/420457945.db2.gz LKECKIRAJIJQLN-NWDGAFQWSA-N 2 1 284.404 -0.314 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CCC([NH3+])CC2)C1 ZINC000659716611 420458320 /nfs/dbraw/zinc/45/83/20/420458320.db2.gz XNFUBTWCOLZUFH-WXRRBKDZSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659719324 420458874 /nfs/dbraw/zinc/45/88/74/420458874.db2.gz WBOJNFKCXVXUJD-NEPJUHHUSA-N 2 1 296.415 -0.027 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000659725126 420460190 /nfs/dbraw/zinc/46/01/90/420460190.db2.gz XPOHWLLFPWQZCK-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731262 420461175 /nfs/dbraw/zinc/46/11/75/420461175.db2.gz BXDFIQMXMBUQNG-WDEREUQCSA-N 2 1 268.361 -0.935 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659735305 420462008 /nfs/dbraw/zinc/46/20/08/420462008.db2.gz RGEFEMNVBQKVKI-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000659732237 420462179 /nfs/dbraw/zinc/46/21/79/420462179.db2.gz LJUNWYRFDXEUEU-AVGNSLFASA-N 2 1 294.399 -0.593 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH2+]C)C2)C1 ZINC000659738305 420463111 /nfs/dbraw/zinc/46/31/11/420463111.db2.gz DMMIOZPRDLNDDE-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659738160 420463673 /nfs/dbraw/zinc/46/36/73/420463673.db2.gz AULKNIXDFWQWIK-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000659739251 420464267 /nfs/dbraw/zinc/46/42/67/420464267.db2.gz PCVQOVSXAQZITP-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCC[NH2+]C)C1 ZINC000659739425 420465313 /nfs/dbraw/zinc/46/53/13/420465313.db2.gz UGTZTAZOBCAMRT-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[NH+](C)CCn1ccc(NC(=O)CC(F)(F)C[NH3+])n1 ZINC000579246324 420467052 /nfs/dbraw/zinc/46/70/52/420467052.db2.gz NOZHQGMUBASCKP-UHFFFAOYSA-N 2 1 275.303 0.367 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC000660013077 420480400 /nfs/dbraw/zinc/48/04/00/420480400.db2.gz OBJOGRUNXHKEGX-CHWSQXEVSA-N 2 1 294.399 -0.639 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC000660013077 420480404 /nfs/dbraw/zinc/48/04/04/420480404.db2.gz OBJOGRUNXHKEGX-CHWSQXEVSA-N 2 1 294.399 -0.639 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000660434813 420490625 /nfs/dbraw/zinc/49/06/25/420490625.db2.gz IPUMQEYTKDSNCY-TZMCWYRMSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000660434813 420490626 /nfs/dbraw/zinc/49/06/26/420490626.db2.gz IPUMQEYTKDSNCY-TZMCWYRMSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000660434813 420490628 /nfs/dbraw/zinc/49/06/28/420490628.db2.gz IPUMQEYTKDSNCY-TZMCWYRMSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000660434813 420490629 /nfs/dbraw/zinc/49/06/29/420490629.db2.gz IPUMQEYTKDSNCY-TZMCWYRMSA-N 2 1 269.389 -0.101 20 0 CBADMP Cc1nn(C)c(C)c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000517759532 260241836 /nfs/dbraw/zinc/24/18/36/260241836.db2.gz OWVXAOKVWJRIGQ-WCQYABFASA-N 2 1 277.372 -0.219 20 0 CBADMP Cc1nn(C)c(C)c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000517759532 260241837 /nfs/dbraw/zinc/24/18/37/260241837.db2.gz OWVXAOKVWJRIGQ-WCQYABFASA-N 2 1 277.372 -0.219 20 0 CBADMP C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000518980850 265273685 /nfs/dbraw/zinc/27/36/85/265273685.db2.gz QAAXPXVXGCHMHI-RYUDHWBXSA-N 2 1 277.434 -0.355 20 0 CBADMP C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000518980850 265273687 /nfs/dbraw/zinc/27/36/87/265273687.db2.gz QAAXPXVXGCHMHI-RYUDHWBXSA-N 2 1 277.434 -0.355 20 0 CBADMP C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000518980851 265273953 /nfs/dbraw/zinc/27/39/53/265273953.db2.gz QAAXPXVXGCHMHI-VXGBXAGGSA-N 2 1 277.434 -0.355 20 0 CBADMP C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000518980851 265273957 /nfs/dbraw/zinc/27/39/57/265273957.db2.gz QAAXPXVXGCHMHI-VXGBXAGGSA-N 2 1 277.434 -0.355 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000419909104 276016839 /nfs/dbraw/zinc/01/68/39/276016839.db2.gz KMAVZXSPMMMDHP-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000430729290 276107282 /nfs/dbraw/zinc/10/72/82/276107282.db2.gz GGKNDMNJTLIYPF-MNOVXSKESA-N 2 1 255.362 -0.131 20 0 CBADMP CC[N@@H+]1CC[C@H]2OCCN(C(=O)C[NH+](C)C)[C@@H]2C1 ZINC000355301056 276234765 /nfs/dbraw/zinc/23/47/65/276234765.db2.gz NVIYISVRVHAPTN-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)C[NH+](C)C)[C@@H]2C1 ZINC000355301056 276234767 /nfs/dbraw/zinc/23/47/67/276234767.db2.gz NVIYISVRVHAPTN-VXGBXAGGSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CN2CCOCC2)C1 ZINC000304696416 276307806 /nfs/dbraw/zinc/30/78/06/276307806.db2.gz ILGBXVFLTITEKK-HUUCEWRRSA-N 2 1 285.432 -0.047 20 0 CBADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CN2CCOCC2)C1 ZINC000304696416 276307807 /nfs/dbraw/zinc/30/78/07/276307807.db2.gz ILGBXVFLTITEKK-HUUCEWRRSA-N 2 1 285.432 -0.047 20 0 CBADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000304696416 276307808 /nfs/dbraw/zinc/30/78/08/276307808.db2.gz ILGBXVFLTITEKK-HUUCEWRRSA-N 2 1 285.432 -0.047 20 0 CBADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000304696416 276307810 /nfs/dbraw/zinc/30/78/10/276307810.db2.gz ILGBXVFLTITEKK-HUUCEWRRSA-N 2 1 285.432 -0.047 20 0 CBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420148241 276378373 /nfs/dbraw/zinc/37/83/73/276378373.db2.gz FIFJFWRDZJOZSA-VIFPVBQESA-N 2 1 292.330 -0.703 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420148241 276378374 /nfs/dbraw/zinc/37/83/74/276378374.db2.gz FIFJFWRDZJOZSA-VIFPVBQESA-N 2 1 292.330 -0.703 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000419315210 277021914 /nfs/dbraw/zinc/02/19/14/277021914.db2.gz JNIVYRHEPYFJTD-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000430949928 277029275 /nfs/dbraw/zinc/02/92/75/277029275.db2.gz FLQRWBIOLKNTLH-JSGCOSHPSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000430949928 277029276 /nfs/dbraw/zinc/02/92/76/277029276.db2.gz FLQRWBIOLKNTLH-JSGCOSHPSA-N 2 1 296.415 -0.393 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000342766828 277059074 /nfs/dbraw/zinc/05/90/74/277059074.db2.gz XVVGIOYSMOAVKB-RYUDHWBXSA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000342766828 277059076 /nfs/dbraw/zinc/05/90/76/277059076.db2.gz XVVGIOYSMOAVKB-RYUDHWBXSA-N 2 1 283.372 -0.036 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224293574 277237021 /nfs/dbraw/zinc/23/70/21/277237021.db2.gz SARHKQMKJTWZIQ-UWVGGRQHSA-N 2 1 256.350 -0.109 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000419158835 277276377 /nfs/dbraw/zinc/27/63/77/277276377.db2.gz YLGRRQYOHBCJSG-AAEUAGOBSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C[N@H+]1C1CC1 ZINC000419316927 278017835 /nfs/dbraw/zinc/01/78/35/278017835.db2.gz MJDWSOAKMJBNEO-SUZMYJTESA-N 2 1 294.399 -0.419 20 0 CBADMP C[C@@H]1C[C@H](O)C[NH+]1CCOCC[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000340922045 278032091 /nfs/dbraw/zinc/03/20/91/278032091.db2.gz XTDUTYLWJXQJEV-CRWXNKLISA-N 2 1 272.389 -0.087 20 0 CBADMP C[C@@H]1C[C@H](O)C[N@H+]1CCOCC[NH+]1C[C@@H](O)C[C@@H]1C ZINC000340922045 278032092 /nfs/dbraw/zinc/03/20/92/278032092.db2.gz XTDUTYLWJXQJEV-CRWXNKLISA-N 2 1 272.389 -0.087 20 0 CBADMP C[C@@H]1C[C@H](O)C[N@@H+]1CCOCC[NH+]1C[C@@H](O)C[C@@H]1C ZINC000340922045 278032093 /nfs/dbraw/zinc/03/20/93/278032093.db2.gz XTDUTYLWJXQJEV-CRWXNKLISA-N 2 1 272.389 -0.087 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)CCC[N@H+]1C ZINC000419557093 278083773 /nfs/dbraw/zinc/08/37/73/278083773.db2.gz LUKMAYHZFYDTOM-RNJOBUHISA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C[NH+]1CCOCC1 ZINC000333562304 278200802 /nfs/dbraw/zinc/20/08/02/278200802.db2.gz LMJYKHLLEOYLNA-MCIONIFRSA-N 2 1 296.415 -0.042 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332691043 278245910 /nfs/dbraw/zinc/24/59/10/278245910.db2.gz QMMYUEVWWFKVDS-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332691043 278245912 /nfs/dbraw/zinc/24/59/12/278245912.db2.gz QMMYUEVWWFKVDS-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP CC1(C)CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC[NH2+]1 ZINC000332702626 278292796 /nfs/dbraw/zinc/29/27/96/278292796.db2.gz YJKMMWLOWPNWHF-GFCCVEGCSA-N 2 1 294.399 -0.497 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC[NH2+]1 ZINC000423571708 278392217 /nfs/dbraw/zinc/39/22/17/278392217.db2.gz WKPIXBINSAVPQP-YNEHKIRRSA-N 2 1 294.399 -0.641 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000333808526 278564922 /nfs/dbraw/zinc/56/49/22/278564922.db2.gz IVROEBLGXVWQMP-XNDJQWLSSA-N 2 1 256.325 -0.453 20 0 CBADMP CC(C)C[C@H](CNC(=O)NCC[NH3+])[NH+]1CCOCC1 ZINC000416945413 279153383 /nfs/dbraw/zinc/15/33/83/279153383.db2.gz WKBFNXPDFHACGS-GFCCVEGCSA-N 2 1 272.393 -0.009 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])C1CC1 ZINC000419520684 279189660 /nfs/dbraw/zinc/18/96/60/279189660.db2.gz IORKLVWZRAQKOW-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000419526087 279189913 /nfs/dbraw/zinc/18/99/13/279189913.db2.gz SDYQILIWVPZLAT-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000419530834 279190005 /nfs/dbraw/zinc/19/00/05/279190005.db2.gz ZQJQSAOECLSMLO-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H](CC(N)=O)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000346061041 279249677 /nfs/dbraw/zinc/24/96/77/279249677.db2.gz FHVFQVZAONJTNA-GHMZBOCLSA-N 2 1 270.377 -0.573 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419593080 279278969 /nfs/dbraw/zinc/27/89/69/279278969.db2.gz SNFPWNKUGGDGOI-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419587175 279279247 /nfs/dbraw/zinc/27/92/47/279279247.db2.gz NMKOPTHZAWGCKI-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)C[NH3+])CC1=O ZINC000262545452 279304602 /nfs/dbraw/zinc/30/46/02/279304602.db2.gz UVXSUNUSQHYTGD-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419884215 279305991 /nfs/dbraw/zinc/30/59/91/279305991.db2.gz FNCFBSOSMWKVCQ-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420141095 279307823 /nfs/dbraw/zinc/30/78/23/279307823.db2.gz JETFXMRYXBKURQ-UPJWGTAASA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CC[NH3+])CC1=O ZINC000423998203 279330441 /nfs/dbraw/zinc/33/04/41/279330441.db2.gz AFJYDZJADKRKKN-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP Cn1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c(=O)n(C)c1=O ZINC000352535826 279335331 /nfs/dbraw/zinc/33/53/31/279335331.db2.gz VYAVOTRIZIBONQ-GFCCVEGCSA-N 2 1 280.372 -0.213 20 0 CBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CSC[NH2+]3)C2)CC1 ZINC000515651713 279371936 /nfs/dbraw/zinc/37/19/36/279371936.db2.gz LSJDTUUKAVQCGI-STQMWFEESA-N 2 1 298.456 -0.113 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)C1 ZINC000422541509 279399063 /nfs/dbraw/zinc/39/90/63/279399063.db2.gz LXVVTAFUUQSORZ-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C1 ZINC000422541509 279399064 /nfs/dbraw/zinc/39/90/64/279399064.db2.gz LXVVTAFUUQSORZ-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C1 ZINC000422541509 279399065 /nfs/dbraw/zinc/39/90/65/279399065.db2.gz LXVVTAFUUQSORZ-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000413850286 279399944 /nfs/dbraw/zinc/39/99/44/279399944.db2.gz BBUQGWWGVHLFQB-CHWSQXEVSA-N 2 1 284.404 -0.211 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000413850286 279399947 /nfs/dbraw/zinc/39/99/47/279399947.db2.gz BBUQGWWGVHLFQB-CHWSQXEVSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)CCO1 ZINC000431032344 288134000 /nfs/dbraw/zinc/13/40/00/288134000.db2.gz BLOBDRJHJIVLTN-OCCSQVGLSA-N 2 1 297.399 -0.314 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000262884707 279700347 /nfs/dbraw/zinc/70/03/47/279700347.db2.gz NUJICCJAVJDZPH-LBPRGKRZSA-N 2 1 273.377 -0.469 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000418777526 280000445 /nfs/dbraw/zinc/00/04/45/280000445.db2.gz YNWXUDUNYZHFFT-STQMWFEESA-N 2 1 284.404 -0.044 20 0 CBADMP CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000068805681 280236731 /nfs/dbraw/zinc/23/67/31/280236731.db2.gz USHLHZMWACQYFN-RYUDHWBXSA-N 2 1 256.394 -0.421 20 0 CBADMP CC(C)[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000430764928 280241028 /nfs/dbraw/zinc/24/10/28/280241028.db2.gz UQECUHTTXLXUSA-KGLIPLIRSA-N 2 1 299.415 -0.162 20 0 CBADMP CC(C)[C@H](CNC(=O)N(C)CC[NH3+])[NH+]1CCOCC1 ZINC000416934101 280241485 /nfs/dbraw/zinc/24/14/85/280241485.db2.gz CXSJXGWFXQFTMH-LBPRGKRZSA-N 2 1 272.393 -0.057 20 0 CBADMP CC(C)[C@H](CNC(=O)N[C@@H](C)C[NH3+])[NH+]1CCOCC1 ZINC000416942398 280247110 /nfs/dbraw/zinc/24/71/10/280247110.db2.gz RYEZYLZXZQLRBW-RYUDHWBXSA-N 2 1 272.393 -0.010 20 0 CBADMP CC[C@@H]1CN(C(=O)C2C[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000262224686 280347111 /nfs/dbraw/zinc/34/71/11/280347111.db2.gz KZPUFBGSODBNGZ-ZYHUDNBSSA-N 2 1 255.362 -0.491 20 0 CBADMP OCCOCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000354905227 280408359 /nfs/dbraw/zinc/40/83/59/280408359.db2.gz LDJSJMLIPXZECN-UHFFFAOYSA-N 2 1 288.388 -0.846 20 0 CBADMP CC[C@H]1CN(C(=O)C2C[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000364880379 281130117 /nfs/dbraw/zinc/13/01/17/281130117.db2.gz LEDJUPLHLVVWOJ-AAEUAGOBSA-N 2 1 267.373 -0.225 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@@H+]1CCOC ZINC000377287036 281144608 /nfs/dbraw/zinc/14/46/08/281144608.db2.gz GIFJVUQPPXMUKY-RWMBFGLXSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@H+]1CCOC ZINC000377287036 281144609 /nfs/dbraw/zinc/14/46/09/281144609.db2.gz GIFJVUQPPXMUKY-RWMBFGLXSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000332560516 288301052 /nfs/dbraw/zinc/30/10/52/288301052.db2.gz QDUZRLOOQKOVTD-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000353392701 288879746 /nfs/dbraw/zinc/87/97/46/288879746.db2.gz XWNOZMAPBLJHNK-YFKTTZPYSA-N 2 1 253.346 -0.569 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000427291438 288945969 /nfs/dbraw/zinc/94/59/69/288945969.db2.gz GFWXDOHMNPGRLN-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000430725003 288956971 /nfs/dbraw/zinc/95/69/71/288956971.db2.gz WNNVKWNVAGMSDJ-OAHLLOKOSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000360185322 289068150 /nfs/dbraw/zinc/06/81/50/289068150.db2.gz YDFAUOOEPWSVEX-LBPRGKRZSA-N 2 1 286.445 -0.209 20 0 CBADMP CN(C)C(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344063357 289132143 /nfs/dbraw/zinc/13/21/43/289132143.db2.gz NLNQRAYNUASJLT-UHFFFAOYSA-N 2 1 258.410 -0.110 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360571482 289238290 /nfs/dbraw/zinc/23/82/90/289238290.db2.gz VHFFCOAEKCVQPN-GFCCVEGCSA-N 2 1 275.418 -0.047 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360571482 289238295 /nfs/dbraw/zinc/23/82/95/289238295.db2.gz VHFFCOAEKCVQPN-GFCCVEGCSA-N 2 1 275.418 -0.047 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353186131 289302833 /nfs/dbraw/zinc/30/28/33/289302833.db2.gz QBNQXUVNQUOROP-OPRDCNLKSA-N 2 1 256.350 -0.822 20 0 CBADMP C[C@H](C(=O)NCC[N@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000338080495 289352614 /nfs/dbraw/zinc/35/26/14/289352614.db2.gz BOKCIGFZHDUPDB-GFCCVEGCSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H](C(=O)NCC[N@@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000338080495 289352615 /nfs/dbraw/zinc/35/26/15/289352615.db2.gz BOKCIGFZHDUPDB-GFCCVEGCSA-N 2 1 268.405 -0.167 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000418763691 290061187 /nfs/dbraw/zinc/06/11/87/290061187.db2.gz NDDOONCREGWHLB-DGCLKSJQSA-N 2 1 287.383 -0.767 20 0 CBADMP C[C@H](O)CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000425464090 290072444 /nfs/dbraw/zinc/07/24/44/290072444.db2.gz XEJQVCSQPXPIPP-ZDUSSCGKSA-N 2 1 272.389 -0.084 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000333841921 290096652 /nfs/dbraw/zinc/09/66/52/290096652.db2.gz OJUBEIFWJLBTFA-FRRDWIJNSA-N 2 1 284.404 -0.165 20 0 CBADMP COC[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000354067629 293117685 /nfs/dbraw/zinc/11/76/85/293117685.db2.gz DKFPILNGGKSADW-MNOVXSKESA-N 2 1 259.350 -0.955 20 0 CBADMP COC[C@]1(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000423404676 293270917 /nfs/dbraw/zinc/27/09/17/293270917.db2.gz XNZHJNOWVSRMKD-HIFRSBDPSA-N 2 1 299.415 -0.303 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432511672 293651468 /nfs/dbraw/zinc/65/14/68/293651468.db2.gz IGHLPHANNUMEDP-ZMLRMANQSA-N 2 1 266.345 -0.333 20 0 CBADMP NC(=O)NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047971859 295072934 /nfs/dbraw/zinc/07/29/34/295072934.db2.gz AVEMKFSVIWDAJR-UHFFFAOYSA-N 2 1 268.361 -0.011 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2C[C@H]2[NH3+])C1 ZINC000424160321 295107735 /nfs/dbraw/zinc/10/77/35/295107735.db2.gz UFLRRDIPANOVPT-OUAUKWLOSA-N 2 1 268.361 -0.963 20 0 CBADMP [NH3+]C1(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000372099234 295201672 /nfs/dbraw/zinc/20/16/72/295201672.db2.gz SFXWGZKEOLFCHV-GHMZBOCLSA-N 2 1 253.346 -0.465 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332203247 295268887 /nfs/dbraw/zinc/26/88/87/295268887.db2.gz DKRBLBJGSWTNBR-VXGBXAGGSA-N 2 1 280.372 -0.757 20 0 CBADMP [NH3+][C@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CCC1 ZINC000333324918 295327763 /nfs/dbraw/zinc/32/77/63/295327763.db2.gz VCAGRARYLXYLHL-JSGCOSHPSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NCCN2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000333422281 297277936 /nfs/dbraw/zinc/27/79/36/297277936.db2.gz SRIHMWXKBNWBAB-CHWSQXEVSA-N 2 1 295.431 -0.184 20 0 CBADMP C[C@H]1C[N@H+](CCCS(=O)(=O)N(C)C)CC[C@H]1[NH3+] ZINC000430951165 300256128 /nfs/dbraw/zinc/25/61/28/300256128.db2.gz UPBUHJVUNNTOSC-WDEREUQCSA-N 2 1 263.407 -0.063 20 0 CBADMP C[C@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)CC[C@H]1[NH3+] ZINC000430951165 300256129 /nfs/dbraw/zinc/25/61/29/300256129.db2.gz UPBUHJVUNNTOSC-WDEREUQCSA-N 2 1 263.407 -0.063 20 0 CBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCN1CCCC1=O ZINC000436055355 303373752 /nfs/dbraw/zinc/37/37/52/303373752.db2.gz TUWSIQAUOKZTSB-CYBMUJFWSA-N 2 1 296.415 -0.072 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000357107552 303383221 /nfs/dbraw/zinc/38/32/21/303383221.db2.gz RWUFWKCXFKQDRM-CYBMUJFWSA-N 2 1 257.378 -0.242 20 0 CBADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000580329019 327830422 /nfs/dbraw/zinc/83/04/22/327830422.db2.gz VWXJVPSTKBUIEK-MFKMUULPSA-N 2 1 279.340 -0.119 20 0 CBADMP O=C(COC1C[NH2+]C1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000567822681 327908694 /nfs/dbraw/zinc/90/86/94/327908694.db2.gz JPTNZYXYLJMMEE-ZIAGYGMSSA-N 2 1 297.399 -0.266 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000563391518 328060556 /nfs/dbraw/zinc/06/05/56/328060556.db2.gz VIRFJGBDQPPDBX-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000563391518 328060557 /nfs/dbraw/zinc/06/05/57/328060557.db2.gz VIRFJGBDQPPDBX-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000563391518 328060558 /nfs/dbraw/zinc/06/05/58/328060558.db2.gz VIRFJGBDQPPDBX-GFCCVEGCSA-N 2 1 257.378 -0.241 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)CC[NH2+]C2CC2)CC1 ZINC000563413333 328064530 /nfs/dbraw/zinc/06/45/30/328064530.db2.gz NILXUHYIIYFKBZ-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563453304 328067631 /nfs/dbraw/zinc/06/76/31/328067631.db2.gz IIHPNLRIVNJHIW-ZDUSSCGKSA-N 2 1 283.420 -0.373 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000563457545 328067798 /nfs/dbraw/zinc/06/77/98/328067798.db2.gz LFILEQYNFVCRDR-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000563458620 328068080 /nfs/dbraw/zinc/06/80/80/328068080.db2.gz UETNZJZYXOJFMD-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000571316099 328104768 /nfs/dbraw/zinc/10/47/68/328104768.db2.gz TTWXZYSGTGNPRR-NEPJUHHUSA-N 2 1 257.378 -0.066 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000580952895 328108161 /nfs/dbraw/zinc/10/81/61/328108161.db2.gz ACONPFVGBFXUMN-OUAUKWLOSA-N 2 1 263.345 -0.370 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000388787989 328303217 /nfs/dbraw/zinc/30/32/17/328303217.db2.gz NVCIURFNNJKWJK-KBPBESRZSA-N 2 1 273.421 -0.049 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000388787992 328303489 /nfs/dbraw/zinc/30/34/89/328303489.db2.gz NVCIURFNNJKWJK-ZIAGYGMSSA-N 2 1 273.421 -0.049 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000557596132 327015085 /nfs/dbraw/zinc/01/50/85/327015085.db2.gz LBAWXWOOWSNMGX-OLZOCXBDSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000557596132 327015087 /nfs/dbraw/zinc/01/50/87/327015087.db2.gz LBAWXWOOWSNMGX-OLZOCXBDSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H]1NCC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@H]1C ZINC000565833626 327031005 /nfs/dbraw/zinc/03/10/05/327031005.db2.gz MIEMMYRUVMLBOO-RWMBFGLXSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1NCC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@H]1C ZINC000565833626 327031006 /nfs/dbraw/zinc/03/10/06/327031006.db2.gz MIEMMYRUVMLBOO-RWMBFGLXSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000584113802 327040839 /nfs/dbraw/zinc/04/08/39/327040839.db2.gz JBUOJTRBGIWCLX-WUHRBBMRSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000584113800 327040851 /nfs/dbraw/zinc/04/08/51/327040851.db2.gz JBUOJTRBGIWCLX-CYDGBPFRSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000584181224 327060934 /nfs/dbraw/zinc/06/09/34/327060934.db2.gz RYPLNNOLDXLIME-OLZOCXBDSA-N 2 1 287.404 -0.664 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000584181224 327060935 /nfs/dbraw/zinc/06/09/35/327060935.db2.gz RYPLNNOLDXLIME-OLZOCXBDSA-N 2 1 287.404 -0.664 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000584181224 327060936 /nfs/dbraw/zinc/06/09/36/327060936.db2.gz RYPLNNOLDXLIME-OLZOCXBDSA-N 2 1 287.404 -0.664 20 0 CBADMP Cc1noc(CC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)n1 ZINC000381187250 327142677 /nfs/dbraw/zinc/14/26/77/327142677.db2.gz VLTGOIXKHJAUTL-LLVKDONJSA-N 2 1 254.334 -0.035 20 0 CBADMP Cc1noc(CC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)n1 ZINC000381187250 327142679 /nfs/dbraw/zinc/14/26/79/327142679.db2.gz VLTGOIXKHJAUTL-LLVKDONJSA-N 2 1 254.334 -0.035 20 0 CBADMP CC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000566179884 327157912 /nfs/dbraw/zinc/15/79/12/327157912.db2.gz VYJCMQDOBHGGCF-ZJUUUORDSA-N 2 1 256.350 -0.820 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000569357403 327162297 /nfs/dbraw/zinc/16/22/97/327162297.db2.gz JEXUURJVWHZJQH-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000569483687 327184559 /nfs/dbraw/zinc/18/45/59/327184559.db2.gz VKTQZDDNLKFOOM-LBPRGKRZSA-N 2 1 259.325 -0.475 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)C[NH2+]C2CC2)n1C ZINC000569599155 327208598 /nfs/dbraw/zinc/20/85/98/327208598.db2.gz MZFAZAHFYYRISW-UHFFFAOYSA-N 2 1 251.334 -0.146 20 0 CBADMP CC[NH2+]CCCNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000584281558 327215560 /nfs/dbraw/zinc/21/55/60/327215560.db2.gz ZENOHTPKGRNBCM-GFCCVEGCSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[NH2+]CCCNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000584281558 327215561 /nfs/dbraw/zinc/21/55/61/327215561.db2.gz ZENOHTPKGRNBCM-GFCCVEGCSA-N 2 1 272.393 -0.306 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000566236544 327253995 /nfs/dbraw/zinc/25/39/95/327253995.db2.gz FTTDLRLHWXBDEB-ZPFDUUQYSA-N 2 1 296.415 -0.173 20 0 CBADMP CC[NH2+]CCCNC(=O)N1CC[NH+](CCOC)CC1 ZINC000562814122 327516930 /nfs/dbraw/zinc/51/69/30/327516930.db2.gz JFYDYPQYLGEYRD-UHFFFAOYSA-N 2 1 272.393 -0.040 20 0 CBADMP COCC[NH2+]CCNC(=O)c1csc(C[NH3+])n1 ZINC000582665466 329121601 /nfs/dbraw/zinc/12/16/01/329121601.db2.gz FNLWUBBAXNCTOF-UHFFFAOYSA-N 2 1 258.347 -0.432 20 0 CBADMP 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 329129611 /nfs/dbraw/zinc/12/96/11/329129611.db2.gz RGSABBIIHNKLOR-UZWSLXQKSA-N 2 1 294.399 -0.467 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000582733571 329133543 /nfs/dbraw/zinc/13/35/43/329133543.db2.gz HBJBPIXRUOAHDV-STQMWFEESA-N 2 1 259.394 -0.439 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000582846646 329279504 /nfs/dbraw/zinc/27/95/04/329279504.db2.gz XSMADJHWGKYVTP-KGLIPLIRSA-N 2 1 290.367 -0.067 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000582966061 329294798 /nfs/dbraw/zinc/29/47/98/329294798.db2.gz DQOOICKZNAMASX-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](C)C2C[NH2+]C2)CC1 ZINC000583141077 329321097 /nfs/dbraw/zinc/32/10/97/329321097.db2.gz VMLMQRNUWBLPCL-VXGBXAGGSA-N 2 1 297.399 -0.062 20 0 CBADMP C[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000583198773 329358469 /nfs/dbraw/zinc/35/84/69/329358469.db2.gz GORGNFIBUXWFHO-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000583198773 329358471 /nfs/dbraw/zinc/35/84/71/329358471.db2.gz GORGNFIBUXWFHO-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP O=C1CNC(=O)N1CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580432059 330131872 /nfs/dbraw/zinc/13/18/72/330131872.db2.gz PPQQBJOHSKJVIW-ZDUSSCGKSA-N 2 1 266.345 -0.386 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580432059 330131873 /nfs/dbraw/zinc/13/18/73/330131873.db2.gz PPQQBJOHSKJVIW-ZDUSSCGKSA-N 2 1 266.345 -0.386 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1cnn(C)c1 ZINC000575400173 335100617 /nfs/dbraw/zinc/10/06/17/335100617.db2.gz RQJLICFIGYBCNX-USWWRNFRSA-N 2 1 265.361 -0.205 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000575814425 335118615 /nfs/dbraw/zinc/11/86/15/335118615.db2.gz MQBCTXPILMPBHS-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000575814425 335118616 /nfs/dbraw/zinc/11/86/16/335118616.db2.gz MQBCTXPILMPBHS-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000575814425 335118618 /nfs/dbraw/zinc/11/86/18/335118618.db2.gz MQBCTXPILMPBHS-WCQYABFASA-N 2 1 255.362 -0.489 20 0 CBADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000575902723 335129700 /nfs/dbraw/zinc/12/97/00/335129700.db2.gz SSGFZDPKVVLYRH-UHFFFAOYSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]CCC(=O)Nc1cccnc1 ZINC000576040550 335144418 /nfs/dbraw/zinc/14/44/18/335144418.db2.gz KNKMYTKQJUTVBM-GFCCVEGCSA-N 2 1 266.345 -0.078 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000564328815 334111415 /nfs/dbraw/zinc/11/14/15/334111415.db2.gz UGAQNHWOEAEJIN-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC2C[NH2+]C2)CC1 ZINC000576254735 335178294 /nfs/dbraw/zinc/17/82/94/335178294.db2.gz AUPBPMCXMJLXAV-NSHDSACASA-N 2 1 256.350 -0.944 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000566206111 334635641 /nfs/dbraw/zinc/63/56/41/334635641.db2.gz QYKDTDYKCHHZKM-CHWSQXEVSA-N 2 1 278.356 -0.082 20 0 CBADMP [NH3+]CC(F)(F)CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000566406520 334646540 /nfs/dbraw/zinc/64/65/40/334646540.db2.gz LKXNSZZWUNCDCL-MRVPVSSYSA-N 2 1 251.277 -0.535 20 0 CBADMP CC[NH2+]CCCNC(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC000568628953 334833452 /nfs/dbraw/zinc/83/34/52/334833452.db2.gz ONHPHNFFEYOKIS-LLVKDONJSA-N 2 1 253.350 -0.204 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN(C)CCNC(=O)N(C)C ZINC000576289213 335184204 /nfs/dbraw/zinc/18/42/04/335184204.db2.gz YETTWBNVZCJNJB-NSHDSACASA-N 2 1 260.382 -0.498 20 0 CBADMP C[N@@H+](C[C@H](O)CNC[C@@H]1CCC[NH+]1CCCO)C1CC1 ZINC000576585169 335222445 /nfs/dbraw/zinc/22/24/45/335222445.db2.gz RQGZPTVXZGUNJW-LSDHHAIUSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000576585169 335222447 /nfs/dbraw/zinc/22/24/47/335222447.db2.gz RQGZPTVXZGUNJW-LSDHHAIUSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@H](O)CNC[C@@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000576585169 335222449 /nfs/dbraw/zinc/22/24/49/335222449.db2.gz RQGZPTVXZGUNJW-LSDHHAIUSA-N 2 1 285.432 -0.122 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000576588349 335223182 /nfs/dbraw/zinc/22/31/82/335223182.db2.gz QTRCMAOHDWQBBF-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000576704250 335237275 /nfs/dbraw/zinc/23/72/75/335237275.db2.gz DZANUKGJSGHZQF-PHIMTYICSA-N 2 1 269.345 -0.841 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000576730355 335241069 /nfs/dbraw/zinc/24/10/69/335241069.db2.gz YFGQKAQYOXEHIG-CQSZACIVSA-N 2 1 297.447 -0.127 20 0 CBADMP O=C(NCCN1CC[NH2+]CC1)NCC[N@@H+]1CC=CCC1 ZINC000576808176 335249741 /nfs/dbraw/zinc/24/97/41/335249741.db2.gz QTQAUDOVTAQELK-UHFFFAOYSA-N 2 1 281.404 -0.547 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@H]3CCCC[C@H]3O)CCN2C1=O ZINC000576837230 335254380 /nfs/dbraw/zinc/25/43/80/335254380.db2.gz GJDBXUMZQZFLDQ-FDYHWXHSSA-N 2 1 267.373 -0.219 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CN2CCNCC2=O)CC[N@H+]1C ZINC000580560468 335280974 /nfs/dbraw/zinc/28/09/74/335280974.db2.gz HIYIAFSDOMRKRS-MNOVXSKESA-N 2 1 268.361 -0.983 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000580583773 335291230 /nfs/dbraw/zinc/29/12/30/335291230.db2.gz YTNMZAPUTJPFDV-NEPJUHHUSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000577270574 335332668 /nfs/dbraw/zinc/33/26/68/335332668.db2.gz NEFKJEMIQRAJBL-KGYLQXTDSA-N 2 1 294.399 -0.465 20 0 CBADMP [NH3+]Cc1cc(C(=O)NCC[N@@H+]2CCCOCC2)ccn1 ZINC000577392183 335347637 /nfs/dbraw/zinc/34/76/37/335347637.db2.gz RUFTVKYFICGATO-UHFFFAOYSA-N 2 1 278.356 -0.008 20 0 CBADMP [NH3+]Cc1cc(C(=O)NCC[N@H+]2CCCOCC2)ccn1 ZINC000577392183 335347638 /nfs/dbraw/zinc/34/76/38/335347638.db2.gz RUFTVKYFICGATO-UHFFFAOYSA-N 2 1 278.356 -0.008 20 0 CBADMP C[NH2+]C[C@](C)(O)CN1CCC(OCCC[NH3+])CC1 ZINC000577405557 335349275 /nfs/dbraw/zinc/34/92/75/335349275.db2.gz YTYDMOCTFHRZPX-ZDUSSCGKSA-N 2 1 259.394 -0.213 20 0 CBADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000577508507 335362000 /nfs/dbraw/zinc/36/20/00/335362000.db2.gz JEMLOFHIZWDFDB-STQMWFEESA-N 2 1 283.420 -0.327 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000577725974 335392914 /nfs/dbraw/zinc/39/29/14/335392914.db2.gz GUBJSLCMDJGHFT-LLVKDONJSA-N 2 1 280.376 -0.159 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000577751527 335397590 /nfs/dbraw/zinc/39/75/90/335397590.db2.gz JIZWKRPQLUUPGZ-SDDRHHMPSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H]1OCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC000380600207 336003546 /nfs/dbraw/zinc/00/35/46/336003546.db2.gz ZXQWUECQIWZBHI-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000581130094 336012531 /nfs/dbraw/zinc/01/25/31/336012531.db2.gz GWRHZZJVYPRHCQ-VXGBXAGGSA-N 2 1 255.362 -0.096 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000581130094 336012533 /nfs/dbraw/zinc/01/25/33/336012533.db2.gz GWRHZZJVYPRHCQ-VXGBXAGGSA-N 2 1 255.362 -0.096 20 0 CBADMP CCC[C@H]1CN(C(=O)COC2C[NH2+]C2)CC[N@H+]1CCOC ZINC000581192833 336022188 /nfs/dbraw/zinc/02/21/88/336022188.db2.gz HRZVRXUTLJIVIW-ZDUSSCGKSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000381261307 336057232 /nfs/dbraw/zinc/05/72/32/336057232.db2.gz PHCDJVKEZQCILW-JHJVBQTASA-N 2 1 260.378 -0.060 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000381261307 336057233 /nfs/dbraw/zinc/05/72/33/336057233.db2.gz PHCDJVKEZQCILW-JHJVBQTASA-N 2 1 260.378 -0.060 20 0 CBADMP O=C(C[C@@H]1CCC[NH2+]1)NCC[N@H+]1CCCOCC1 ZINC000581368451 336062549 /nfs/dbraw/zinc/06/25/49/336062549.db2.gz IOHNJCIZGMTECG-LBPRGKRZSA-N 2 1 255.362 -0.033 20 0 CBADMP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000581370787 336063176 /nfs/dbraw/zinc/06/31/76/336063176.db2.gz CAJKPVQUFOSCER-BXUZGUMPSA-N 2 1 292.383 -0.285 20 0 CBADMP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C1CC1 ZINC000581419706 336074169 /nfs/dbraw/zinc/07/41/69/336074169.db2.gz LZUUGZQVCGVIEB-QWHCGFSZSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000581538693 336097257 /nfs/dbraw/zinc/09/72/57/336097257.db2.gz ONGABHACFMFRNJ-KGYLQXTDSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000581538695 336097290 /nfs/dbraw/zinc/09/72/90/336097290.db2.gz ONGABHACFMFRNJ-RTXFEEFZSA-N 2 1 294.399 -0.465 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000581607200 336111415 /nfs/dbraw/zinc/11/14/15/336111415.db2.gz MPZYBEHQFXZSND-TUAOUCFPSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000581607200 336111416 /nfs/dbraw/zinc/11/14/16/336111416.db2.gz MPZYBEHQFXZSND-TUAOUCFPSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000581607202 336111484 /nfs/dbraw/zinc/11/14/84/336111484.db2.gz MPZYBEHQFXZSND-WOPDTQHZSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000581607202 336111485 /nfs/dbraw/zinc/11/14/85/336111485.db2.gz MPZYBEHQFXZSND-WOPDTQHZSA-N 2 1 255.362 -0.049 20 0 CBADMP CC(C)[C@@H](CNC(=O)COC1C[NH2+]C1)N1CC[NH+](C)CC1 ZINC000581882234 336158641 /nfs/dbraw/zinc/15/86/41/336158641.db2.gz KFDZUUAUYGVGMU-CQSZACIVSA-N 2 1 298.431 -0.637 20 0 CBADMP CN1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCC1=O ZINC000386050859 336165693 /nfs/dbraw/zinc/16/56/93/336165693.db2.gz BWHYNPTUQHQMGM-PWSUYJOCSA-N 2 1 255.362 -0.348 20 0 CBADMP CN1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCC1=O ZINC000386050859 336165694 /nfs/dbraw/zinc/16/56/94/336165694.db2.gz BWHYNPTUQHQMGM-PWSUYJOCSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000354694753 533890035 /nfs/dbraw/zinc/89/00/35/533890035.db2.gz QTPKLFYMSIERBI-WCQYABFASA-N 2 1 296.415 -0.156 20 0 CBADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000354694007 534426786 /nfs/dbraw/zinc/42/67/86/534426786.db2.gz PSTGQGIQYXMZBW-DGCLKSJQSA-N 2 1 294.399 -0.402 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](CO)C2)CC1 ZINC000157367085 521572904 /nfs/dbraw/zinc/57/29/04/521572904.db2.gz QVJKPDSLQUOTKP-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP COCC[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000164002367 523849714 /nfs/dbraw/zinc/84/97/14/523849714.db2.gz MVXNQUGBXBDDBY-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000164292313 524948884 /nfs/dbraw/zinc/94/88/84/524948884.db2.gz SRVPZLWWEVTWGY-RNJOBUHISA-N 2 1 285.388 -0.675 20 0 CBADMP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000174181014 527743054 /nfs/dbraw/zinc/74/30/54/527743054.db2.gz ZCUUJVFMRSFXIA-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000174181014 527743060 /nfs/dbraw/zinc/74/30/60/527743060.db2.gz ZCUUJVFMRSFXIA-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000174181014 527743062 /nfs/dbraw/zinc/74/30/62/527743062.db2.gz ZCUUJVFMRSFXIA-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000174181014 527743064 /nfs/dbraw/zinc/74/30/64/527743064.db2.gz ZCUUJVFMRSFXIA-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000174180999 527812720 /nfs/dbraw/zinc/81/27/20/527812720.db2.gz ZCUUJVFMRSFXIA-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000174180999 527812724 /nfs/dbraw/zinc/81/27/24/527812724.db2.gz ZCUUJVFMRSFXIA-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000174180999 527812727 /nfs/dbraw/zinc/81/27/27/527812727.db2.gz ZCUUJVFMRSFXIA-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000174180999 527812732 /nfs/dbraw/zinc/81/27/32/527812732.db2.gz ZCUUJVFMRSFXIA-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000176919126 528036045 /nfs/dbraw/zinc/03/60/45/528036045.db2.gz KSXZPRZTXUDZMO-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000176919126 528036049 /nfs/dbraw/zinc/03/60/49/528036049.db2.gz KSXZPRZTXUDZMO-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354678683 529087861 /nfs/dbraw/zinc/08/78/61/529087861.db2.gz PYEHDIAFMDQLPJ-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](C)C[NH3+])CC1 ZINC000357234544 535714090 /nfs/dbraw/zinc/71/40/90/535714090.db2.gz AYHOHZSPBSORAF-CHWSQXEVSA-N 2 1 270.421 -0.029 20 0 CBADMP CC[NH2+]CC(=O)NCCC[NH+]1CCN(CC)CC1 ZINC000844192405 583260045 /nfs/dbraw/zinc/26/00/45/583260045.db2.gz PMWFSUXXDQLDAL-UHFFFAOYSA-N 2 1 256.394 -0.260 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000128973964 582122825 /nfs/dbraw/zinc/12/28/25/582122825.db2.gz IXGATTNYYAFMCK-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP CN1CC[NH+](CCCNC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000137363380 582125979 /nfs/dbraw/zinc/12/59/79/582125979.db2.gz CURRTRCDFDBKBL-ZDUSSCGKSA-N 2 1 268.405 -0.133 20 0 CBADMP C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[NH+](C)CCO1 ZINC000677919996 582135113 /nfs/dbraw/zinc/13/51/13/582135113.db2.gz NUBKCYKYQZCILV-IHRRRGAJSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[NH+](C)CCO1 ZINC000677919996 582135115 /nfs/dbraw/zinc/13/51/15/582135115.db2.gz NUBKCYKYQZCILV-IHRRRGAJSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@H](NC(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1C[N@H+](C)CCO1 ZINC000677919996 582135117 /nfs/dbraw/zinc/13/51/17/582135117.db2.gz NUBKCYKYQZCILV-IHRRRGAJSA-N 2 1 296.415 -0.788 20 0 CBADMP C[C@H](NC(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1C[N@@H+](C)CCO1 ZINC000677919996 582135118 /nfs/dbraw/zinc/13/51/18/582135118.db2.gz NUBKCYKYQZCILV-IHRRRGAJSA-N 2 1 296.415 -0.788 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000730789964 582151257 /nfs/dbraw/zinc/15/12/57/582151257.db2.gz UITOLMSQNDLIAG-ZDUSSCGKSA-N 2 1 285.388 -0.454 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000730789964 582151258 /nfs/dbraw/zinc/15/12/58/582151258.db2.gz UITOLMSQNDLIAG-ZDUSSCGKSA-N 2 1 285.388 -0.454 20 0 CBADMP C[C@H](CNC(=S)NCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000737459621 582239753 /nfs/dbraw/zinc/23/97/53/582239753.db2.gz CJIWSUZJPIIAQM-GFCCVEGCSA-N 2 1 288.461 -0.020 20 0 CBADMP O=C1C[NH+](CCCCC[N@H+]2CCCNC(=O)C2)CCCN1 ZINC000740875990 582265608 /nfs/dbraw/zinc/26/56/08/582265608.db2.gz LNMYOEALYILHCG-UHFFFAOYSA-N 2 1 296.415 -0.200 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000742786957 582275546 /nfs/dbraw/zinc/27/55/46/582275546.db2.gz DMRQSMKFYGZBJY-UHFFFAOYSA-N 2 1 270.377 -0.608 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000742786957 582275548 /nfs/dbraw/zinc/27/55/48/582275548.db2.gz DMRQSMKFYGZBJY-UHFFFAOYSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCS(N)(=O)=O)C1 ZINC000746675209 582285172 /nfs/dbraw/zinc/28/51/72/582285172.db2.gz LKDRFHLGLBUUTM-LBPRGKRZSA-N 2 1 293.433 -0.292 20 0 CBADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC[NH+](C)C)C1 ZINC000748543418 582288305 /nfs/dbraw/zinc/28/83/05/582288305.db2.gz XJGAFXITPPZWOU-GFCCVEGCSA-N 2 1 285.388 -0.061 20 0 CBADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC[NH+](C)C)C1 ZINC000748543418 582288306 /nfs/dbraw/zinc/28/83/06/582288306.db2.gz XJGAFXITPPZWOU-GFCCVEGCSA-N 2 1 285.388 -0.061 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+](C)C ZINC000750017217 582290688 /nfs/dbraw/zinc/29/06/88/582290688.db2.gz KEBYRPAEYRPZQV-QJPTWQEYSA-N 2 1 255.362 -0.084 20 0 CBADMP COC1CC[NH+](CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC000751058379 582292403 /nfs/dbraw/zinc/29/24/03/582292403.db2.gz FUQRZWUPGQCAON-UHFFFAOYSA-N 2 1 299.415 -0.064 20 0 CBADMP O=C(NCC[NH+]1CCC1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000752666713 582295434 /nfs/dbraw/zinc/29/54/34/582295434.db2.gz IWDMVSYMUOSEII-QWHCGFSZSA-N 2 1 282.388 -0.146 20 0 CBADMP COC[C@@](C)(CCO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000754668663 582299972 /nfs/dbraw/zinc/29/99/72/582299972.db2.gz STWGIBRONLZIAE-QWHCGFSZSA-N 2 1 260.378 -0.180 20 0 CBADMP C[NH+](C)CCCCC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000762715437 582318047 /nfs/dbraw/zinc/31/80/47/582318047.db2.gz HEQPWHFSYLNZOW-ZDUSSCGKSA-N 2 1 257.378 -0.099 20 0 CBADMP O[C@@H](CN1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000773480345 582347645 /nfs/dbraw/zinc/34/76/45/582347645.db2.gz ILMWUTGALBXMFR-LSDHHAIUSA-N 2 1 283.416 -0.150 20 0 CBADMP CN1C(=O)CN(C[NH+]2CCC(OCC[NH+](C)C)CC2)C1=O ZINC000776199724 582354153 /nfs/dbraw/zinc/35/41/53/582354153.db2.gz BFDXJKKWMDBDFE-UHFFFAOYSA-N 2 1 298.387 -0.120 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC000779474997 582361365 /nfs/dbraw/zinc/36/13/65/582361365.db2.gz APWBOOPGHLTTIV-UHFFFAOYSA-N 2 1 283.372 -0.401 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC000779474997 582361366 /nfs/dbraw/zinc/36/13/66/582361366.db2.gz APWBOOPGHLTTIV-UHFFFAOYSA-N 2 1 283.372 -0.401 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NC2CC2)C1 ZINC000779652061 582362270 /nfs/dbraw/zinc/36/22/70/582362270.db2.gz FXBFVQMRJSJVKD-LLVKDONJSA-N 2 1 284.360 -0.127 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NC2CC2)C1 ZINC000779652061 582362271 /nfs/dbraw/zinc/36/22/71/582362271.db2.gz FXBFVQMRJSJVKD-LLVKDONJSA-N 2 1 284.360 -0.127 20 0 CBADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000796581450 582412093 /nfs/dbraw/zinc/41/20/93/582412093.db2.gz QGSCYFFHHIPUPY-YPMHNXCESA-N 2 1 255.362 -0.360 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CCO)C2CC2)CC1 ZINC000801539957 582424507 /nfs/dbraw/zinc/42/45/07/582424507.db2.gz RJYZUEWEQGMQSW-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2cnnn2C)C1 ZINC000809997997 582447784 /nfs/dbraw/zinc/44/77/84/582447784.db2.gz LAYDRBMMOAECTR-NSHDSACASA-N 2 1 282.348 -0.077 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2cnnn2C)C1 ZINC000809997997 582447785 /nfs/dbraw/zinc/44/77/85/582447785.db2.gz LAYDRBMMOAECTR-NSHDSACASA-N 2 1 282.348 -0.077 20 0 CBADMP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnn(C)n1 ZINC000815135782 582461244 /nfs/dbraw/zinc/46/12/44/582461244.db2.gz HTNOXPCCNDGTBO-LBPRGKRZSA-N 2 1 266.393 -0.069 20 0 CBADMP C[NH+]1CCC(OCC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000827749890 582831535 /nfs/dbraw/zinc/83/15/35/582831535.db2.gz STHUZXMMTXYHDP-LBPRGKRZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000830134288 582921325 /nfs/dbraw/zinc/92/13/25/582921325.db2.gz COZKIEBPSBKVIY-ZDEQEGDKSA-N 2 1 294.399 -0.737 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000830134288 582921327 /nfs/dbraw/zinc/92/13/27/582921327.db2.gz COZKIEBPSBKVIY-ZDEQEGDKSA-N 2 1 294.399 -0.737 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000830134288 582921330 /nfs/dbraw/zinc/92/13/30/582921330.db2.gz COZKIEBPSBKVIY-ZDEQEGDKSA-N 2 1 294.399 -0.737 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000831971115 583008844 /nfs/dbraw/zinc/00/88/44/583008844.db2.gz SGKJTUNEQHSMIB-LLVKDONJSA-N 2 1 280.376 -0.159 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000831971513 583009351 /nfs/dbraw/zinc/00/93/51/583009351.db2.gz ZRMNJJDTCVFGQO-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831971332 583009374 /nfs/dbraw/zinc/00/93/74/583009374.db2.gz VJMODBRMISEUCI-GHMZBOCLSA-N 2 1 271.361 -0.133 20 0 CBADMP C[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCOCC1)C2 ZINC000834525792 583130323 /nfs/dbraw/zinc/13/03/23/583130323.db2.gz BHBOSAOQOZKREQ-UHFFFAOYSA-N 2 1 267.373 -0.127 20 0 CBADMP C[C@H]1CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH2+]1 ZINC000841790807 583174426 /nfs/dbraw/zinc/17/44/26/583174426.db2.gz KLELBMHZCDBKRP-AVGNSLFASA-N 2 1 282.388 -0.147 20 0 CBADMP C[C@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH2+]1 ZINC000841790813 583174672 /nfs/dbraw/zinc/17/46/72/583174672.db2.gz KLELBMHZCDBKRP-YNEHKIRRSA-N 2 1 282.388 -0.147 20 0 CBADMP CON(C)C(=O)CC[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000843061810 583199244 /nfs/dbraw/zinc/19/92/44/583199244.db2.gz IKVJSTGNTKSPIA-LBPRGKRZSA-N 2 1 273.377 -0.167 20 0 CBADMP CON(C)C(=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000843062014 583199255 /nfs/dbraw/zinc/19/92/55/583199255.db2.gz KNHPRBZKALUXKO-LLVKDONJSA-N 2 1 259.350 -0.557 20 0 CBADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)C(=O)N(C)C ZINC000843355416 583212159 /nfs/dbraw/zinc/21/21/59/583212159.db2.gz NXNRTJVTYKVGLJ-UNXYVOJBSA-N 2 1 284.404 -0.219 20 0 CBADMP O=C1OCCN1CC[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000843369063 583213025 /nfs/dbraw/zinc/21/30/25/583213025.db2.gz CIJVEGPXSOLZIA-GFCCVEGCSA-N 2 1 296.371 -0.665 20 0 CBADMP O=C1OCCN1CC[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000843369070 583213087 /nfs/dbraw/zinc/21/30/87/583213087.db2.gz CIJVEGPXSOLZIA-LBPRGKRZSA-N 2 1 296.371 -0.665 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)N1CC[NH2+]CC1 ZINC000843390873 583215056 /nfs/dbraw/zinc/21/50/56/583215056.db2.gz IEQCSJVVDIIANV-NEPJUHHUSA-N 2 1 296.371 -0.761 20 0 CBADMP O=C(N1CC[NH2+]C[C@@H]1C(F)F)[C@]1(F)CC[NH2+]C1 ZINC000843481161 583226582 /nfs/dbraw/zinc/22/65/82/583226582.db2.gz PQFPBRUCUAPKQS-XCBNKYQSSA-N 2 1 251.252 -0.247 20 0 CBADMP O=C(CO[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCSCC1 ZINC000844170316 583256210 /nfs/dbraw/zinc/25/62/10/583256210.db2.gz AAFYHDJAACETGI-GFCCVEGCSA-N 2 1 287.429 -0.080 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844174691 583256804 /nfs/dbraw/zinc/25/68/04/583256804.db2.gz AMTNIZCJSMDNGK-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844181470 583258393 /nfs/dbraw/zinc/25/83/93/583258393.db2.gz RFFJPMUEUBNULD-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844182605 583258798 /nfs/dbraw/zinc/25/87/98/583258798.db2.gz UGDLCASCYRUUJQ-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)CO[C@@H]2CCC[NH2+]C2)n1C ZINC000844184304 583259039 /nfs/dbraw/zinc/25/90/39/583259039.db2.gz IHYPVJXSPVXQGI-GFCCVEGCSA-N 2 1 295.387 -0.129 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844192255 583259900 /nfs/dbraw/zinc/25/99/00/583259900.db2.gz WFTWBQWMKHJPQQ-STQMWFEESA-N 2 1 284.404 -0.883 20 0 CBADMP [NH3+]CCCCCC[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000846217764 583355563 /nfs/dbraw/zinc/35/55/63/583355563.db2.gz AENRTWSUWSLAQN-UHFFFAOYSA-N 2 1 296.415 -0.072 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000846346008 583359610 /nfs/dbraw/zinc/35/96/10/583359610.db2.gz CQUWHFREABOTEV-UHFFFAOYSA-N 2 1 286.420 -0.242 20 0 CBADMP C[N@H+]1CCC[C@H](CN[C@@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000846701399 583384635 /nfs/dbraw/zinc/38/46/35/583384635.db2.gz FQGXWTPZJKCWSO-VXGBXAGGSA-N 2 1 283.372 -0.572 20 0 CBADMP C[N@H+]1CCC[C@@H](CN[C@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000846701398 583384660 /nfs/dbraw/zinc/38/46/60/583384660.db2.gz FQGXWTPZJKCWSO-RYUDHWBXSA-N 2 1 283.372 -0.572 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCN1CCOCC1 ZINC000848980741 583463579 /nfs/dbraw/zinc/46/35/79/583463579.db2.gz RSVHGAHIYPVKPB-UHFFFAOYSA-N 2 1 299.419 -0.845 20 0 CBADMP COC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000848980464 583463774 /nfs/dbraw/zinc/46/37/74/583463774.db2.gz OTCMPSSCYZPDIK-NSHDSACASA-N 2 1 258.366 -0.142 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCn1cncn1 ZINC000848985017 583464146 /nfs/dbraw/zinc/46/41/46/583464146.db2.gz VGBUNKKXDVLCRF-UHFFFAOYSA-N 2 1 281.364 -0.886 20 0 CBADMP C[C@H]1CN(C(=[NH2+])NCCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000848986336 583464631 /nfs/dbraw/zinc/46/46/31/583464631.db2.gz DOTDDRSTTXPEFW-LBPRGKRZSA-N 2 1 297.403 -0.604 20 0 CBADMP CC(=O)NCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000848991463 583465143 /nfs/dbraw/zinc/46/51/43/583465143.db2.gz GQRBMWFVPIVMDG-UHFFFAOYSA-N 2 1 285.392 -0.651 20 0 CBADMP C[C@H]1CN(C(=[NH2+])NCCN2CCC[N@@H+](C)CC2)CCO1 ZINC000848994163 583465581 /nfs/dbraw/zinc/46/55/81/583465581.db2.gz ZSWMLCGRAFBEBB-ZDUSSCGKSA-N 2 1 283.420 -0.131 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=[NH2+])N2CCC2)C1 ZINC000848999958 583465804 /nfs/dbraw/zinc/46/58/04/583465804.db2.gz CGQOOUWFURMRIO-NSHDSACASA-N 2 1 267.377 -0.196 20 0 CBADMP COC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000849008023 583467339 /nfs/dbraw/zinc/46/73/39/583467339.db2.gz MACVIOVGMKKKBJ-QWRGUYRKSA-N 2 1 257.382 -0.619 20 0 CBADMP [NH2+]=C(NC[C@H]1CCC[N@@H+]1CCCO)N1CCOCC1 ZINC000849034575 583470016 /nfs/dbraw/zinc/47/00/16/583470016.db2.gz YYPIIGCYWFLRRA-GFCCVEGCSA-N 2 1 270.377 -0.310 20 0 CBADMP C[NH+](C)CCn1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000849136558 583472294 /nfs/dbraw/zinc/47/22/94/583472294.db2.gz JRINXILWHNLTKK-GFCCVEGCSA-N 2 1 253.350 -0.204 20 0 CBADMP C[NH+](C)CCn1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000849136558 583472297 /nfs/dbraw/zinc/47/22/97/583472297.db2.gz JRINXILWHNLTKK-GFCCVEGCSA-N 2 1 253.350 -0.204 20 0 CBADMP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000851635985 583517421 /nfs/dbraw/zinc/51/74/21/583517421.db2.gz PEDHQQFFSLEJCZ-DTWKUNHWSA-N 2 1 265.304 -0.196 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000852743202 583551408 /nfs/dbraw/zinc/55/14/08/583551408.db2.gz BBZDAMPGAXYEIV-RYUDHWBXSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000852743202 583551410 /nfs/dbraw/zinc/55/14/10/583551410.db2.gz BBZDAMPGAXYEIV-RYUDHWBXSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)[C@]1(F)CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000852753888 583551906 /nfs/dbraw/zinc/55/19/06/583551906.db2.gz UWIGBBDENHSWRM-ZDUSSCGKSA-N 2 1 287.335 -0.605 20 0 CBADMP COC(=O)[C@]1(F)CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000852753888 583551908 /nfs/dbraw/zinc/55/19/08/583551908.db2.gz UWIGBBDENHSWRM-ZDUSSCGKSA-N 2 1 287.335 -0.605 20 0 CBADMP O=C(CC[N@H+]1CC[C@H](N2CCOC2=O)C1)N1CC[NH2+]CC1 ZINC000852755181 583551927 /nfs/dbraw/zinc/55/19/27/583551927.db2.gz GFOUTZWBXBAZMY-LBPRGKRZSA-N 2 1 296.371 -0.665 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852853954 583561072 /nfs/dbraw/zinc/56/10/72/583561072.db2.gz AHMOVTNCUPRPOI-NXEZZACHSA-N 2 1 254.334 -0.310 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852864140 583563584 /nfs/dbraw/zinc/56/35/84/583563584.db2.gz XHBQVCFUPJGIET-VHSXEESVSA-N 2 1 254.334 -0.452 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852869588 583564765 /nfs/dbraw/zinc/56/47/65/583564765.db2.gz IFSASBHXMPHVLS-JTQLQIEISA-N 2 1 256.350 -0.062 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852870542 583564860 /nfs/dbraw/zinc/56/48/60/583564860.db2.gz VQSKBMJETDQGPO-MNOVXSKESA-N 2 1 268.361 -0.110 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852872891 583565595 /nfs/dbraw/zinc/56/55/95/583565595.db2.gz SPCAHNNRFPLOOO-UISBYWKRSA-N 2 1 266.345 -0.311 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852884911 583568468 /nfs/dbraw/zinc/56/84/68/583568468.db2.gz PTJLBMKANLVDQB-SCVCMEIPSA-N 2 1 268.361 -0.111 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852914578 583574163 /nfs/dbraw/zinc/57/41/63/583574163.db2.gz BVSGMPWJFRSGOR-ZJUUUORDSA-N 2 1 254.334 -0.310 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1COC(=O)N1 ZINC000855347088 583636435 /nfs/dbraw/zinc/63/64/35/583636435.db2.gz SNINPTSKNKSLLG-QWRGUYRKSA-N 2 1 286.376 -0.517 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1COC(=O)N1 ZINC000855347088 583636437 /nfs/dbraw/zinc/63/64/37/583636437.db2.gz SNINPTSKNKSLLG-QWRGUYRKSA-N 2 1 286.376 -0.517 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnn(C)n1 ZINC000855346918 583636447 /nfs/dbraw/zinc/63/64/47/583636447.db2.gz OJOMOGYYYGBUMI-NSHDSACASA-N 2 1 282.392 -0.183 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnn(C)n1 ZINC000855346918 583636450 /nfs/dbraw/zinc/63/64/50/583636450.db2.gz OJOMOGYYYGBUMI-NSHDSACASA-N 2 1 282.392 -0.183 20 0 CBADMP C[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000857102368 583664393 /nfs/dbraw/zinc/66/43/93/583664393.db2.gz OTGWKXLPSOWRHE-HBNTYKKESA-N 2 1 258.366 -0.258 20 0 CBADMP C[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000857102368 583664394 /nfs/dbraw/zinc/66/43/94/583664394.db2.gz OTGWKXLPSOWRHE-HBNTYKKESA-N 2 1 258.366 -0.258 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NCC[C@H](C)[NH3+])C1 ZINC000857102656 583664426 /nfs/dbraw/zinc/66/44/26/583664426.db2.gz JFVQATJRRXTJLI-QWRGUYRKSA-N 2 1 258.366 -0.256 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000857102992 583664689 /nfs/dbraw/zinc/66/46/89/583664689.db2.gz YNPLZIRSGZTWCA-RYUDHWBXSA-N 2 1 271.409 -0.341 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000857102976 583664834 /nfs/dbraw/zinc/66/48/34/583664834.db2.gz XXIYRDNMYSTJOA-WDEREUQCSA-N 2 1 257.382 -0.731 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000857109515 583665189 /nfs/dbraw/zinc/66/51/89/583665189.db2.gz MOZSVORDASHXSF-RYUDHWBXSA-N 2 1 272.393 -0.130 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000857109434 583665265 /nfs/dbraw/zinc/66/52/65/583665265.db2.gz XOZZQMIITCBVQA-NSHDSACASA-N 2 1 272.393 -0.178 20 0 CBADMP Nc1nc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)nc(N)[nH+]1 ZINC000858374636 583693392 /nfs/dbraw/zinc/69/33/92/583693392.db2.gz RFFWTAAPDJWTTI-JGVFFNPUSA-N 2 1 265.321 -0.689 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000861590777 583771879 /nfs/dbraw/zinc/77/18/79/583771879.db2.gz XNHARUPVZVUSJP-VXGBXAGGSA-N 2 1 272.393 -0.057 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000861592582 583771903 /nfs/dbraw/zinc/77/19/03/583771903.db2.gz NRUBCQVILHDEJF-STQMWFEESA-N 2 1 285.436 -0.142 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000861613793 583772175 /nfs/dbraw/zinc/77/21/75/583772175.db2.gz PGFZEGINMCIGMQ-GARJFASQSA-N 2 1 258.366 -0.306 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000861613793 583772177 /nfs/dbraw/zinc/77/21/77/583772177.db2.gz PGFZEGINMCIGMQ-GARJFASQSA-N 2 1 258.366 -0.306 20 0 CBADMP C[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000861613791 583772266 /nfs/dbraw/zinc/77/22/66/583772266.db2.gz PGFZEGINMCIGMQ-AXFHLTTASA-N 2 1 258.366 -0.306 20 0 CBADMP C[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000861613791 583772268 /nfs/dbraw/zinc/77/22/68/583772268.db2.gz PGFZEGINMCIGMQ-AXFHLTTASA-N 2 1 258.366 -0.306 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000861712827 583780599 /nfs/dbraw/zinc/78/05/99/583780599.db2.gz URBYTIKIQCAKSB-AVGNSLFASA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)C1 ZINC000861712827 583780601 /nfs/dbraw/zinc/78/06/01/583780601.db2.gz URBYTIKIQCAKSB-AVGNSLFASA-N 2 1 267.373 -0.394 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)C1 ZINC000861712827 583780603 /nfs/dbraw/zinc/78/06/03/583780603.db2.gz URBYTIKIQCAKSB-AVGNSLFASA-N 2 1 267.373 -0.394 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000861730033 583781656 /nfs/dbraw/zinc/78/16/56/583781656.db2.gz JTFJKHHKCTYPPP-GHMZBOCLSA-N 2 1 296.371 -0.196 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000861752271 583784012 /nfs/dbraw/zinc/78/40/12/583784012.db2.gz DJBAVYSBCBSIOP-SCVCMEIPSA-N 2 1 282.388 -0.609 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861752670 583784256 /nfs/dbraw/zinc/78/42/56/583784256.db2.gz IOKFALXQMRPRGU-VIFPVBQESA-N 2 1 267.333 -0.887 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000861753201 583784304 /nfs/dbraw/zinc/78/43/04/583784304.db2.gz VEGTXKJRNMVEOT-AXFHLTTASA-N 2 1 282.388 -0.467 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861759651 583784842 /nfs/dbraw/zinc/78/48/42/583784842.db2.gz OANNGAMKWNBDAI-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000861763221 583785038 /nfs/dbraw/zinc/78/50/38/583785038.db2.gz MGEKIAYFUYGOKH-VHSXEESVSA-N 2 1 270.377 -0.609 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861771965 583785713 /nfs/dbraw/zinc/78/57/13/583785713.db2.gz MBQZQCNGXAKVRZ-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000861784271 583786302 /nfs/dbraw/zinc/78/63/02/583786302.db2.gz WAIZPJNOLRMBCM-AVGNSLFASA-N 2 1 296.415 -0.075 20 0 CBADMP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+](CCCF)CC1 ZINC000862113670 583800270 /nfs/dbraw/zinc/80/02/70/583800270.db2.gz QSHRCALQNHFPGS-AWEZNQCLSA-N 2 1 298.406 -0.120 20 0 CBADMP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC[NH+](CCCF)CC1 ZINC000862113670 583800272 /nfs/dbraw/zinc/80/02/72/583800272.db2.gz QSHRCALQNHFPGS-AWEZNQCLSA-N 2 1 298.406 -0.120 20 0 CBADMP C[NH2+]CCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549566 583846438 /nfs/dbraw/zinc/84/64/38/583846438.db2.gz MNHQQUXATZWKGG-OLZOCXBDSA-N 3 1 282.388 -0.147 20 0 CBADMP C[N@@H+](CCOCC[NH3+])[C@@H]1CCN(C2CCOCC2)C1=O ZINC000863555404 583846733 /nfs/dbraw/zinc/84/67/33/583846733.db2.gz RMNDFVBPDOVZDS-CYBMUJFWSA-N 2 1 285.388 -0.327 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+])[C@H](C)C1 ZINC000863761443 583854332 /nfs/dbraw/zinc/85/43/32/583854332.db2.gz HFVMCIQAJKPHGY-UPJWGTAASA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000863763317 583854458 /nfs/dbraw/zinc/85/44/58/583854458.db2.gz YJCDGFCFAIMZNW-YNEHKIRRSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863763855 583854714 /nfs/dbraw/zinc/85/47/14/583854714.db2.gz KSAINMVXEQAKLO-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863769081 583855557 /nfs/dbraw/zinc/85/55/57/583855557.db2.gz JBVMOYFVDVWIQH-RYUDHWBXSA-N 2 1 284.404 -0.267 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863773986 583855935 /nfs/dbraw/zinc/85/59/35/583855935.db2.gz NKQPAQOROGHQFZ-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000864068182 583868990 /nfs/dbraw/zinc/86/89/90/583868990.db2.gz OHTJEBKREYRUOY-GXTWGEPZSA-N 2 1 267.373 -0.252 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000864068182 583868992 /nfs/dbraw/zinc/86/89/92/583868992.db2.gz OHTJEBKREYRUOY-GXTWGEPZSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000864454516 583882476 /nfs/dbraw/zinc/88/24/76/583882476.db2.gz YXGHNCWTGUTSJT-GHMZBOCLSA-N 2 1 267.377 -0.327 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C=C\CN1CCOCC1 ZINC000865706475 583907864 /nfs/dbraw/zinc/90/78/64/583907864.db2.gz XAGPVBYTDBDHSO-VQTKUKTRSA-N 2 1 296.415 -0.763 20 0 CBADMP CN1CCN(C)[C@H](CNC(=O)/C=C\CN2CCOCC2)C1 ZINC000865706475 583907865 /nfs/dbraw/zinc/90/78/65/583907865.db2.gz XAGPVBYTDBDHSO-VQTKUKTRSA-N 2 1 296.415 -0.763 20 0 CBADMP Cn1nnnc1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866661945 583926265 /nfs/dbraw/zinc/92/62/65/583926265.db2.gz XRPQUYDDNZTHEH-ZACCUICWSA-N 2 1 250.350 -0.033 20 0 CBADMP Cn1nnnc1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866661945 583926266 /nfs/dbraw/zinc/92/62/66/583926266.db2.gz XRPQUYDDNZTHEH-ZACCUICWSA-N 2 1 250.350 -0.033 20 0 CBADMP CCO[C@@H]1C[N@H+](CCc2nnnn2C)C[C@H]1C[NH3+] ZINC000866667310 583926625 /nfs/dbraw/zinc/92/66/25/583926625.db2.gz IUKWOIKXEXIILC-NXEZZACHSA-N 2 1 254.338 -0.952 20 0 CBADMP CCO[C@@H]1C[N@@H+](CCc2nnnn2C)C[C@H]1C[NH3+] ZINC000866667310 583926626 /nfs/dbraw/zinc/92/66/26/583926626.db2.gz IUKWOIKXEXIILC-NXEZZACHSA-N 2 1 254.338 -0.952 20 0 CBADMP C[NH2+]CCC[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC000866696860 583927542 /nfs/dbraw/zinc/92/75/42/583927542.db2.gz AMRZLIAQQIDYOU-UHFFFAOYSA-N 2 1 255.362 -0.033 20 0 CBADMP C[NH2+]CCC[N@H+]1CCNC(=O)CC12CCOCC2 ZINC000866696860 583927543 /nfs/dbraw/zinc/92/75/43/583927543.db2.gz AMRZLIAQQIDYOU-UHFFFAOYSA-N 2 1 255.362 -0.033 20 0 CBADMP CCCNC(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706989 583927858 /nfs/dbraw/zinc/92/78/58/583927858.db2.gz GOMJKRGHXOFNJN-UTUOFQBUSA-N 2 1 296.371 -0.621 20 0 CBADMP CCCNC(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706989 583927859 /nfs/dbraw/zinc/92/78/59/583927859.db2.gz GOMJKRGHXOFNJN-UTUOFQBUSA-N 2 1 296.371 -0.621 20 0 CBADMP C[N@H+]1CC[C@H]2CN(CCC(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000866703169 583927881 /nfs/dbraw/zinc/92/78/81/583927881.db2.gz GEXAFMAKZSYIAG-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000866709616 583928018 /nfs/dbraw/zinc/92/80/18/583928018.db2.gz SRQCRXPFLNUWJM-FVCCEPFGSA-N 3 1 280.372 -0.537 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000866709616 583928019 /nfs/dbraw/zinc/92/80/19/583928019.db2.gz SRQCRXPFLNUWJM-FVCCEPFGSA-N 3 1 280.372 -0.537 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000866708743 583928033 /nfs/dbraw/zinc/92/80/33/583928033.db2.gz OIRKTIDWMJFSFS-MELADBBJSA-N 3 1 294.399 -0.147 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000866709153 583928090 /nfs/dbraw/zinc/92/80/90/583928090.db2.gz QNOATRIRAPONGB-YIYPIFLZSA-N 3 1 294.399 -0.147 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000866709153 583928091 /nfs/dbraw/zinc/92/80/91/583928091.db2.gz QNOATRIRAPONGB-YIYPIFLZSA-N 3 1 294.399 -0.147 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000866767831 583931859 /nfs/dbraw/zinc/93/18/59/583931859.db2.gz GTELLHWOVNVUSF-MNOVXSKESA-N 2 1 273.402 -0.296 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867323964 583948292 /nfs/dbraw/zinc/94/82/92/583948292.db2.gz OGDNFVNUUVCVSI-OLZOCXBDSA-N 2 1 296.415 -0.441 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867323965 583948390 /nfs/dbraw/zinc/94/83/90/583948390.db2.gz OGDNFVNUUVCVSI-QWHCGFSZSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868385511 583976482 /nfs/dbraw/zinc/97/64/82/583976482.db2.gz SZXDDSJLMHUIMT-AGIUHOORSA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC[C@H]21 ZINC000868387148 583976661 /nfs/dbraw/zinc/97/66/61/583976661.db2.gz PXWCOQAAFOBMBG-QJPTWQEYSA-N 2 1 280.372 -0.901 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC[NH2+]1 ZINC000868389202 583976870 /nfs/dbraw/zinc/97/68/70/583976870.db2.gz NZZQZHDQEQXGFM-AVGNSLFASA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868390622 583977061 /nfs/dbraw/zinc/97/70/61/583977061.db2.gz NWIBLFYAZFOZNM-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868392139 583977235 /nfs/dbraw/zinc/97/72/35/583977235.db2.gz SVXMOUKJFKPMJQ-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868402746 583977494 /nfs/dbraw/zinc/97/74/94/583977494.db2.gz SHUKQJNQCPMCSW-MROQNXINSA-N 2 1 294.399 -0.513 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868402748 583977496 /nfs/dbraw/zinc/97/74/96/583977496.db2.gz SHUKQJNQCPMCSW-VOAKCMCISA-N 2 1 294.399 -0.513 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CCC1(C)C ZINC000868407607 583978148 /nfs/dbraw/zinc/97/81/48/583978148.db2.gz YRUVPIHFSYRASN-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000868407584 583978262 /nfs/dbraw/zinc/97/82/62/583978262.db2.gz YCLQGJHTLFKBIP-LLVKDONJSA-N 2 1 284.404 -0.265 20 0 CBADMP CN(C)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021396 584007393 /nfs/dbraw/zinc/00/73/93/584007393.db2.gz DJOFMRXAYXRMFP-CHWSQXEVSA-N 2 1 270.421 -0.254 20 0 CBADMP COCCN(C)C(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000871603958 584043424 /nfs/dbraw/zinc/04/34/24/584043424.db2.gz NYGPRAREGWMONK-VXGBXAGGSA-N 2 1 270.377 -0.048 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000872154687 584048531 /nfs/dbraw/zinc/04/85/31/584048531.db2.gz WGTPWEGXYQOVAL-SLEUVZQESA-N 2 1 295.383 -0.308 20 0 CBADMP CC(C)(O)C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000872213451 584050462 /nfs/dbraw/zinc/05/04/62/584050462.db2.gz OPSMTAULQJZSIR-QWHCGFSZSA-N 2 1 274.405 -0.055 20 0 CBADMP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000872229802 584051725 /nfs/dbraw/zinc/05/17/25/584051725.db2.gz SQXQGPDBZYWFAP-RAIGVLPGSA-N 2 1 286.372 -0.391 20 0 CBADMP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000872229802 584051728 /nfs/dbraw/zinc/05/17/28/584051728.db2.gz SQXQGPDBZYWFAP-RAIGVLPGSA-N 2 1 286.372 -0.391 20 0 CBADMP 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 584068820 /nfs/dbraw/zinc/06/88/20/584068820.db2.gz FLQZWWNPTHDPDI-FIQHERPVSA-N 2 1 265.357 -0.079 20 0 CBADMP C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)[C@@H]1CCC[NH2+]1 ZINC000873249390 584069233 /nfs/dbraw/zinc/06/92/33/584069233.db2.gz NCZXUZUMCQQXBU-GMXVVIOVSA-N 2 1 269.345 -0.062 20 0 CBADMP C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)[C@H]1CCC[NH2+]1 ZINC000873264959 584069561 /nfs/dbraw/zinc/06/95/61/584069561.db2.gz FVUHYJYCNHIUQI-BZPMIXESSA-N 2 1 283.372 -0.656 20 0 CBADMP C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)[C@@H]1CCC[NH2+]1 ZINC000873264965 584069569 /nfs/dbraw/zinc/06/95/69/584069569.db2.gz FVUHYJYCNHIUQI-SGMGOOAPSA-N 2 1 283.372 -0.656 20 0 CBADMP C[C@H](C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[NH+](C)C ZINC000874253198 584079250 /nfs/dbraw/zinc/07/92/50/584079250.db2.gz KEBYRPAEYRPZQV-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@H](C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+](C)C ZINC000874253197 584079315 /nfs/dbraw/zinc/07/93/15/584079315.db2.gz KEBYRPAEYRPZQV-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876707326 584140580 /nfs/dbraw/zinc/14/05/80/584140580.db2.gz BGLXJKDANSJLPG-VXGBXAGGSA-N 2 1 273.352 -0.228 20 0 CBADMP COC[C@]1(C(=O)NCC[N@H+]2CCCC[C@H]2C)C[NH2+]CCO1 ZINC000876722630 584140614 /nfs/dbraw/zinc/14/06/14/584140614.db2.gz AJLXYBULVMRABT-HIFRSBDPSA-N 2 1 299.415 -0.018 20 0 CBADMP COC[C@]1(C(=O)NCCCn2cc[nH+]c2C)C[NH2+]CCO1 ZINC000876723127 584141007 /nfs/dbraw/zinc/14/10/07/584141007.db2.gz NWKNMIOXUINIBU-AWEZNQCLSA-N 2 1 296.371 -0.297 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876745068 584141952 /nfs/dbraw/zinc/14/19/52/584141952.db2.gz YPZOFERSIFZYSP-FDYHWXHSSA-N 2 1 285.363 -0.087 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876744939 584142180 /nfs/dbraw/zinc/14/21/80/584142180.db2.gz HTTKOUSIDYXMKW-QWRGUYRKSA-N 2 1 261.341 -0.372 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)c1c(C[NH3+])cnn1C ZINC000876751444 584142289 /nfs/dbraw/zinc/14/22/89/584142289.db2.gz QCUREZFVNSKSKX-LBPRGKRZSA-N 2 1 295.387 -0.281 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000876756830 584142907 /nfs/dbraw/zinc/14/29/07/584142907.db2.gz ZNNCDBSTBABCSN-UTLUCORTSA-N 2 1 277.315 -0.337 20 0 CBADMP C[C@H]1C[C@H](N(C)C(=O)[C@@H](N)C[NH+](C)C)CC[N@H+]1C ZINC000876772699 584143510 /nfs/dbraw/zinc/14/35/10/584143510.db2.gz RAOXUJABDSDGCN-TUAOUCFPSA-N 2 1 256.394 -0.184 20 0 CBADMP Cc1[nH+]ccn1CCCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876770178 584143727 /nfs/dbraw/zinc/14/37/27/584143727.db2.gz ARSCPASKXVBBCS-LBPRGKRZSA-N 2 1 267.377 -0.023 20 0 CBADMP COC[C@@]1(C(=O)NCC[N@H+]2CC[C@H](C)C2)C[NH2+]CCO1 ZINC000876772775 584143943 /nfs/dbraw/zinc/14/39/43/584143943.db2.gz HOAQJSAMKMTLQA-GXTWGEPZSA-N 2 1 285.388 -0.551 20 0 CBADMP COC[C@]1(C(=O)NCC[N@H+]2CC[C@H](C)C2)C[NH2+]CCO1 ZINC000876772776 584143960 /nfs/dbraw/zinc/14/39/60/584143960.db2.gz HOAQJSAMKMTLQA-JSGCOSHPSA-N 2 1 285.388 -0.551 20 0 CBADMP COC[C@]1(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876780145 584144234 /nfs/dbraw/zinc/14/42/34/584144234.db2.gz DRSTXXLHVLMMAD-ZOWXZIJZSA-N 2 1 297.399 -0.267 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876784190 584144572 /nfs/dbraw/zinc/14/45/72/584144572.db2.gz ZYAGSJRNYBVXFQ-GUTXKFCHSA-N 2 1 280.416 -0.119 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876841853 584148506 /nfs/dbraw/zinc/14/85/06/584148506.db2.gz DMCBFIAIKKDXMC-AEJSXWLSSA-N 2 1 299.325 -0.267 20 0 CBADMP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000876854877 584150216 /nfs/dbraw/zinc/15/02/16/584150216.db2.gz XHAXLDHYZBQLBY-HRDYMLBCSA-N 2 1 265.279 -0.001 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000876884675 584153148 /nfs/dbraw/zinc/15/31/48/584153148.db2.gz RONNFFCTRZKIAH-GRYCIOLGSA-N 2 1 256.394 -0.326 20 0 CBADMP O=C(NCC[N@@H+]1CCCOCC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876891139 584153669 /nfs/dbraw/zinc/15/36/69/584153669.db2.gz RCMPDZYBGWGPIM-NWDGAFQWSA-N 2 1 273.352 -0.228 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876891139 584153671 /nfs/dbraw/zinc/15/36/71/584153671.db2.gz RCMPDZYBGWGPIM-NWDGAFQWSA-N 2 1 273.352 -0.228 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876972907 584159101 /nfs/dbraw/zinc/15/91/01/584159101.db2.gz SBPPDZIUCRVLPK-YNEHKIRRSA-N 2 1 284.379 -0.560 20 0 CBADMP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000876973198 584159143 /nfs/dbraw/zinc/15/91/43/584159143.db2.gz XQZFMDGPIWKJSQ-YNEHKIRRSA-N 2 1 280.416 -0.134 20 0 CBADMP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000876973195 584159168 /nfs/dbraw/zinc/15/91/68/584159168.db2.gz XQZFMDGPIWKJSQ-FRRDWIJNSA-N 2 1 280.416 -0.134 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876972905 584159225 /nfs/dbraw/zinc/15/92/25/584159225.db2.gz SBPPDZIUCRVLPK-UPJWGTAASA-N 2 1 284.379 -0.560 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC[C@@H]21 ZINC000877248547 584172261 /nfs/dbraw/zinc/17/22/61/584172261.db2.gz BHPAYROCGXPTTN-NDBYEHHHSA-N 2 1 267.373 -0.097 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC[C@H]21 ZINC000877248546 584172298 /nfs/dbraw/zinc/17/22/98/584172298.db2.gz BHPAYROCGXPTTN-LPWJVIDDSA-N 2 1 267.373 -0.097 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877250625 584172646 /nfs/dbraw/zinc/17/26/46/584172646.db2.gz QYSOXRZCVICPAW-BZPMIXESSA-N 2 1 296.415 -0.362 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000877375211 584180113 /nfs/dbraw/zinc/18/01/13/584180113.db2.gz VDRCXXZPVPGAOT-OUCADQQQSA-N 2 1 267.373 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000877375211 584180114 /nfs/dbraw/zinc/18/01/14/584180114.db2.gz VDRCXXZPVPGAOT-OUCADQQQSA-N 2 1 267.373 -0.225 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000877451532 584182205 /nfs/dbraw/zinc/18/22/05/584182205.db2.gz QJRXJUWDGZOOSH-OBJOEFQTSA-N 2 1 296.415 -0.219 20 0 CBADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877450820 584182332 /nfs/dbraw/zinc/18/23/32/584182332.db2.gz GDUALWWLFOFSFZ-ABHRYQDASA-N 2 1 279.384 -0.083 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c(=O)n(C)c1=O ZINC000877743655 584185339 /nfs/dbraw/zinc/18/53/39/584185339.db2.gz LQSHUIASJRPHHT-WCQYABFASA-N 2 1 292.383 -0.390 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c(=O)n(C)c1=O ZINC000877743655 584185342 /nfs/dbraw/zinc/18/53/42/584185342.db2.gz LQSHUIASJRPHHT-WCQYABFASA-N 2 1 292.383 -0.390 20 0 CBADMP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(=O)n(C)c1=O ZINC000877743655 584185344 /nfs/dbraw/zinc/18/53/44/584185344.db2.gz LQSHUIASJRPHHT-WCQYABFASA-N 2 1 292.383 -0.390 20 0 CBADMP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c(=O)n(C)c1=O ZINC000877743655 584185346 /nfs/dbraw/zinc/18/53/46/584185346.db2.gz LQSHUIASJRPHHT-WCQYABFASA-N 2 1 292.383 -0.390 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000877934315 584188203 /nfs/dbraw/zinc/18/82/03/584188203.db2.gz ATVDJSALWWVTPN-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](O)C2)CC1 ZINC000877934315 584188205 /nfs/dbraw/zinc/18/82/05/584188205.db2.gz ATVDJSALWWVTPN-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC(NC(=O)CN2CCC[N@@H+](C)CC2)CC1 ZINC000877936376 584188289 /nfs/dbraw/zinc/18/82/89/584188289.db2.gz YENYHOQULNODSF-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCCOCC2)CC1 ZINC000878014186 584190263 /nfs/dbraw/zinc/19/02/63/584190263.db2.gz JNKPZHROVPZRLU-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCCOCC2)CC1 ZINC000878014186 584190264 /nfs/dbraw/zinc/19/02/64/584190264.db2.gz JNKPZHROVPZRLU-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP CN(CC[N@@H+](C)CCn1cnnn1)C1CC[NH+](C)CC1 ZINC000878311581 584199145 /nfs/dbraw/zinc/19/91/45/584199145.db2.gz QIMAKLCAEBJQTM-UHFFFAOYSA-N 2 1 281.408 -0.369 20 0 CBADMP COCCC[N@@H+](CCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000878479873 584204987 /nfs/dbraw/zinc/20/49/87/584204987.db2.gz KLHSZPLLLWZBOM-UHFFFAOYSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)[C@H]1CO ZINC000878485174 584205400 /nfs/dbraw/zinc/20/54/00/584205400.db2.gz IZXFHYORZZHHMZ-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000878543557 584207679 /nfs/dbraw/zinc/20/76/79/584207679.db2.gz GALTXAPYOYIFKD-AWEZNQCLSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@@H+](CCOCCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000878557549 584208570 /nfs/dbraw/zinc/20/85/70/584208570.db2.gz JGGXNYATDIKQFI-UHFFFAOYSA-N 2 1 287.404 -0.472 20 0 CBADMP CN1C[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C)CC2)CCC1=O ZINC000878645385 584211708 /nfs/dbraw/zinc/21/17/08/584211708.db2.gz KWZFPFQNUIDWCX-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1C[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](C)CC2)CCC1=O ZINC000878645385 584211711 /nfs/dbraw/zinc/21/17/11/584211711.db2.gz KWZFPFQNUIDWCX-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](CCO)[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878812259 584218059 /nfs/dbraw/zinc/21/80/59/584218059.db2.gz OGRNAXNJKYHTNX-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000879055366 584225724 /nfs/dbraw/zinc/22/57/24/584225724.db2.gz HEEGZIJAIUOBBK-KLPPZKSPSA-N 2 1 282.388 -0.608 20 0 CBADMP COCC[N@@H+](CCS(N)(=O)=O)CC1CC[NH+](C)CC1 ZINC000879124728 584227123 /nfs/dbraw/zinc/22/71/23/584227123.db2.gz AQIDQTYUJMLJCG-UHFFFAOYSA-N 2 1 293.433 -0.435 20 0 CBADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879536063 584239800 /nfs/dbraw/zinc/23/98/00/584239800.db2.gz ZLKCAMYRKTWFLM-TXEJJXNPSA-N 2 1 276.340 -0.101 20 0 CBADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879536063 584239802 /nfs/dbraw/zinc/23/98/02/584239802.db2.gz ZLKCAMYRKTWFLM-TXEJJXNPSA-N 2 1 276.340 -0.101 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570999 584241074 /nfs/dbraw/zinc/24/10/74/584241074.db2.gz LBVHPACNYURCNZ-WDEREUQCSA-N 2 1 268.361 -0.142 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570999 584241076 /nfs/dbraw/zinc/24/10/76/584241076.db2.gz LBVHPACNYURCNZ-WDEREUQCSA-N 2 1 268.361 -0.142 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879570999 584241077 /nfs/dbraw/zinc/24/10/77/584241077.db2.gz LBVHPACNYURCNZ-WDEREUQCSA-N 2 1 268.361 -0.142 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879570999 584241079 /nfs/dbraw/zinc/24/10/79/584241079.db2.gz LBVHPACNYURCNZ-WDEREUQCSA-N 2 1 268.361 -0.142 20 0 CBADMP COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573216 584241438 /nfs/dbraw/zinc/24/14/38/584241438.db2.gz MSZYLCLLROXXDA-VXGBXAGGSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573216 584241440 /nfs/dbraw/zinc/24/14/40/584241440.db2.gz MSZYLCLLROXXDA-VXGBXAGGSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573216 584241441 /nfs/dbraw/zinc/24/14/41/584241441.db2.gz MSZYLCLLROXXDA-VXGBXAGGSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573216 584241443 /nfs/dbraw/zinc/24/14/43/584241443.db2.gz MSZYLCLLROXXDA-VXGBXAGGSA-N 2 1 283.372 -0.308 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nnn(C)n1 ZINC000880663950 584285606 /nfs/dbraw/zinc/28/56/06/584285606.db2.gz JCRYUGHBWLMOIK-JTQLQIEISA-N 2 1 283.380 -0.788 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nnn(C)n1 ZINC000880663950 584285607 /nfs/dbraw/zinc/28/56/07/584285607.db2.gz JCRYUGHBWLMOIK-JTQLQIEISA-N 2 1 283.380 -0.788 20 0 CBADMP C[C@@H]1C[C@@H](NCC[NH+](C)CCOCCO)CC[N@H+]1C ZINC000883349570 584340151 /nfs/dbraw/zinc/34/01/51/584340151.db2.gz GCUYZOORXKLSRS-KGLIPLIRSA-N 2 1 273.421 -0.001 20 0 CBADMP C[C@@H]1C[C@@H](NCC[N@H+](C)CCOCCO)CC[NH+]1C ZINC000883349570 584340152 /nfs/dbraw/zinc/34/01/52/584340152.db2.gz GCUYZOORXKLSRS-KGLIPLIRSA-N 2 1 273.421 -0.001 20 0 CBADMP C[C@@H]1C[C@@H](NCC[N@@H+](C)CCOCCO)CC[NH+]1C ZINC000883349570 584340154 /nfs/dbraw/zinc/34/01/54/584340154.db2.gz GCUYZOORXKLSRS-KGLIPLIRSA-N 2 1 273.421 -0.001 20 0 CBADMP C[C@H]1C[C@@H](NCC[NH+](C)CCOCCO)CC[N@H+]1C ZINC000883349569 584340200 /nfs/dbraw/zinc/34/02/00/584340200.db2.gz GCUYZOORXKLSRS-KBPBESRZSA-N 2 1 273.421 -0.001 20 0 CBADMP C[C@H]1C[C@@H](NCC[N@H+](C)CCOCCO)CC[NH+]1C ZINC000883349569 584340201 /nfs/dbraw/zinc/34/02/01/584340201.db2.gz GCUYZOORXKLSRS-KBPBESRZSA-N 2 1 273.421 -0.001 20 0 CBADMP C[C@H]1C[C@@H](NCC[N@@H+](C)CCOCCO)CC[NH+]1C ZINC000883349569 584340203 /nfs/dbraw/zinc/34/02/03/584340203.db2.gz GCUYZOORXKLSRS-KBPBESRZSA-N 2 1 273.421 -0.001 20 0 CBADMP CC(C)C[C@@H](C(N)=O)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000883461860 584343321 /nfs/dbraw/zinc/34/33/21/584343321.db2.gz FHKQJFSPMWOGHO-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000884220590 584368508 /nfs/dbraw/zinc/36/85/08/584368508.db2.gz XJBMAWCCAMILIZ-XQQFMLRXSA-N 2 1 285.388 -0.280 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000884236094 584369167 /nfs/dbraw/zinc/36/91/67/584369167.db2.gz MJCVZEWXDGSMRX-OLZOCXBDSA-N 2 1 284.404 -0.802 20 0 CBADMP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000884235774 584369195 /nfs/dbraw/zinc/36/91/95/584369195.db2.gz DXIWQTYVOICJCX-OLZOCXBDSA-N 2 1 270.421 -0.018 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000884553559 584387854 /nfs/dbraw/zinc/38/78/54/584387854.db2.gz BAOAOWSRPHJQIT-NOOOWODRSA-N 2 1 294.399 -0.324 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884601225 584389635 /nfs/dbraw/zinc/38/96/35/584389635.db2.gz FFLZMKVKVLGXRZ-WOPDTQHZSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884617654 584391235 /nfs/dbraw/zinc/39/12/35/584391235.db2.gz PRBLHQWRLBHBAB-YNEHKIRRSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884617652 584391250 /nfs/dbraw/zinc/39/12/50/584391250.db2.gz PRBLHQWRLBHBAB-JHJVBQTASA-N 2 1 296.415 -0.075 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884626196 584391612 /nfs/dbraw/zinc/39/16/12/584391612.db2.gz DFZVXOCAHGITHX-RVMXOQNASA-N 2 1 292.383 -0.698 20 0 CBADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1=CC[N@@H+](C)CC1 ZINC000884624096 584391708 /nfs/dbraw/zinc/39/17/08/584391708.db2.gz YAPWVFVOLBUPJI-DRZSPHRISA-N 2 1 292.383 -0.674 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000884627599 584392010 /nfs/dbraw/zinc/39/20/10/584392010.db2.gz VQTAUMLGGQSTDF-UTUOFQBUSA-N 2 1 294.399 -0.465 20 0 CBADMP CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884669695 584393636 /nfs/dbraw/zinc/39/36/36/584393636.db2.gz DFHUGBXOAHSSKL-VXGBXAGGSA-N 2 1 296.415 -0.027 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC3CC[NH2+]CC3)CC[C@H]21 ZINC000884675676 584394709 /nfs/dbraw/zinc/39/47/09/584394709.db2.gz LOVULRMAFXZLAZ-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCC1(C)C ZINC000884679150 584395538 /nfs/dbraw/zinc/39/55/38/584395538.db2.gz XTHXPBIXZYHRBB-GFCCVEGCSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000884684822 584395935 /nfs/dbraw/zinc/39/59/35/584395935.db2.gz PXJFTLGBNUHQHT-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[NH2+]C3CC3)CC[C@@H]21 ZINC000884690369 584397285 /nfs/dbraw/zinc/39/72/85/584397285.db2.gz WPOVVEOPJNTIPS-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CCC1(C)C ZINC000884690027 584397296 /nfs/dbraw/zinc/39/72/96/584397296.db2.gz IAVOQBHODMTURF-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884704992 584399180 /nfs/dbraw/zinc/39/91/80/584399180.db2.gz BHZLXHMDGOFMJV-VIFPVBQESA-N 2 1 256.350 -0.998 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884704992 584399181 /nfs/dbraw/zinc/39/91/81/584399181.db2.gz BHZLXHMDGOFMJV-VIFPVBQESA-N 2 1 256.350 -0.998 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CCC1(C)C ZINC000884708200 584399826 /nfs/dbraw/zinc/39/98/26/584399826.db2.gz QLHJVLXOSZKKRK-UHFFFAOYSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CCC3)CC[C@@H]21 ZINC000884715582 584400124 /nfs/dbraw/zinc/40/01/24/584400124.db2.gz YGGZGHZPBYGAFQ-NEPJUHHUSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884722879 584400838 /nfs/dbraw/zinc/40/08/38/584400838.db2.gz OHWWOOORQJKAIY-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884722879 584400839 /nfs/dbraw/zinc/40/08/39/584400839.db2.gz OHWWOOORQJKAIY-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000885872955 584429379 /nfs/dbraw/zinc/42/93/79/584429379.db2.gz NALQDRBQJUAIIB-KGLIPLIRSA-N 2 1 297.399 -0.314 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000885872955 584429382 /nfs/dbraw/zinc/42/93/82/584429382.db2.gz NALQDRBQJUAIIB-KGLIPLIRSA-N 2 1 297.399 -0.314 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000885872955 584429383 /nfs/dbraw/zinc/42/93/83/584429383.db2.gz NALQDRBQJUAIIB-KGLIPLIRSA-N 2 1 297.399 -0.314 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000885872955 584429385 /nfs/dbraw/zinc/42/93/85/584429385.db2.gz NALQDRBQJUAIIB-KGLIPLIRSA-N 2 1 297.399 -0.314 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)[C@H]1CC[C@H]([N@H+](C)[C@H](C)C(N)=O)CC1 ZINC000886389506 584438693 /nfs/dbraw/zinc/43/86/93/584438693.db2.gz LZDSWGDDYHTXSK-DDHJBXDOSA-N 2 1 284.404 -0.091 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=[NH2+])NCC(F)F)C1 ZINC000887352679 584466693 /nfs/dbraw/zinc/46/66/93/584466693.db2.gz KALGNTSDSHWQDT-SECBINFHSA-N 2 1 291.346 -0.047 20 0 CBADMP CN1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+](C)CC1 ZINC000888983761 584511349 /nfs/dbraw/zinc/51/13/49/584511349.db2.gz OVIUUOAATPAGAY-ZDUSSCGKSA-N 2 1 268.405 -0.356 20 0 CBADMP CN1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC[NH+](C)CC1 ZINC000888983761 584511350 /nfs/dbraw/zinc/51/13/50/584511350.db2.gz OVIUUOAATPAGAY-ZDUSSCGKSA-N 2 1 268.405 -0.356 20 0 CBADMP CN1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+](C)CC1 ZINC000888983761 584511351 /nfs/dbraw/zinc/51/13/51/584511351.db2.gz OVIUUOAATPAGAY-ZDUSSCGKSA-N 2 1 268.405 -0.356 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[NH+](C)C ZINC000889744161 584534867 /nfs/dbraw/zinc/53/48/67/584534867.db2.gz KPDBETSABZAPMX-UPJWGTAASA-N 2 1 269.389 -0.006 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000890058066 584540076 /nfs/dbraw/zinc/54/00/76/584540076.db2.gz UIUQMLADAOOSSS-DGCLKSJQSA-N 2 1 282.388 -0.459 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000890058066 584540080 /nfs/dbraw/zinc/54/00/80/584540080.db2.gz UIUQMLADAOOSSS-DGCLKSJQSA-N 2 1 282.388 -0.459 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000890058066 584540082 /nfs/dbraw/zinc/54/00/82/584540082.db2.gz UIUQMLADAOOSSS-DGCLKSJQSA-N 2 1 282.388 -0.459 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000890058066 584540083 /nfs/dbraw/zinc/54/00/83/584540083.db2.gz UIUQMLADAOOSSS-DGCLKSJQSA-N 2 1 282.388 -0.459 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000890058067 584540184 /nfs/dbraw/zinc/54/01/84/584540184.db2.gz UIUQMLADAOOSSS-WCQYABFASA-N 2 1 282.388 -0.459 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000890058067 584540187 /nfs/dbraw/zinc/54/01/87/584540187.db2.gz UIUQMLADAOOSSS-WCQYABFASA-N 2 1 282.388 -0.459 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000890058067 584540189 /nfs/dbraw/zinc/54/01/89/584540189.db2.gz UIUQMLADAOOSSS-WCQYABFASA-N 2 1 282.388 -0.459 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000890058067 584540191 /nfs/dbraw/zinc/54/01/91/584540191.db2.gz UIUQMLADAOOSSS-WCQYABFASA-N 2 1 282.388 -0.459 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891493560 584582628 /nfs/dbraw/zinc/58/26/28/584582628.db2.gz UZKXSLWCLYYTGP-QWRGUYRKSA-N 2 1 256.350 -0.680 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000891513950 584583487 /nfs/dbraw/zinc/58/34/87/584583487.db2.gz KHPDEANIMLUKMJ-YVECIDJPSA-N 2 1 282.388 -0.114 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891514440 584583518 /nfs/dbraw/zinc/58/35/18/584583518.db2.gz RPIGAMCKRASOHN-RFQIPJPRSA-N 2 1 294.399 -0.005 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891514661 584583603 /nfs/dbraw/zinc/58/36/03/584583603.db2.gz WHBHULFDAZLOSX-QNWHQSFQSA-N 2 1 280.372 -0.395 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000891540842 584584684 /nfs/dbraw/zinc/58/46/84/584584684.db2.gz YVPCAZHJVWERKL-IJLUTSLNSA-N 2 1 269.393 -0.637 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891539444 584584810 /nfs/dbraw/zinc/58/48/10/584584810.db2.gz ARPQQDPCBZYARR-NFAWXSAZSA-N 2 1 295.431 -0.184 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000891540844 584584899 /nfs/dbraw/zinc/58/48/99/584584899.db2.gz YVPCAZHJVWERKL-WOPDTQHZSA-N 2 1 269.393 -0.637 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000891540820 584584950 /nfs/dbraw/zinc/58/49/50/584584950.db2.gz YGHYMONSHMQNOW-JVWICGRDSA-N 2 1 295.431 -0.103 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891545768 584585096 /nfs/dbraw/zinc/58/50/96/584585096.db2.gz MGHOVUOEHOIBCZ-QWRGUYRKSA-N 2 1 270.402 -0.209 20 0 CBADMP C[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000891583126 584587263 /nfs/dbraw/zinc/58/72/63/584587263.db2.gz KEOBQQOAFZVXLA-RWMBFGLXSA-N 2 1 284.404 -0.009 20 0 CBADMP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[N@H+](C)CCO1 ZINC000891699005 584590460 /nfs/dbraw/zinc/59/04/60/584590460.db2.gz XHVWWCBYJPBWQK-NDBYEHHHSA-N 2 1 282.388 -0.149 20 0 CBADMP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[N@@H+](C)CCO1 ZINC000891699005 584590462 /nfs/dbraw/zinc/59/04/62/584590462.db2.gz XHVWWCBYJPBWQK-NDBYEHHHSA-N 2 1 282.388 -0.149 20 0 CBADMP CNC(=O)C[NH+]1CCC(Nc2cc[nH+]cc2CO)CC1 ZINC000891767665 584592136 /nfs/dbraw/zinc/59/21/36/584592136.db2.gz LFIQQDWSFBFABJ-UHFFFAOYSA-N 2 1 278.356 -0.382 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC[N@H+]1CCCOCC1 ZINC000891919843 584594382 /nfs/dbraw/zinc/59/43/82/584594382.db2.gz URNQFKZMTIMKNV-VXGBXAGGSA-N 2 1 270.377 -0.160 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000892056818 584602259 /nfs/dbraw/zinc/60/22/59/584602259.db2.gz VISYZHQPGXUGCU-QWRGUYRKSA-N 2 1 272.393 -0.132 20 0 CBADMP COCC[NH2+]CCNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000892055952 584602347 /nfs/dbraw/zinc/60/23/47/584602347.db2.gz NWTGASLNRGOYIK-UHFFFAOYSA-N 2 1 272.393 -0.042 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000892097847 584604512 /nfs/dbraw/zinc/60/45/12/584604512.db2.gz SHCLFZWVIUNEOS-ZJUUUORDSA-N 2 1 258.366 -0.522 20 0 CBADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000892140979 584605807 /nfs/dbraw/zinc/60/58/07/584605807.db2.gz GIEOHUNKTKKGPZ-MXWKQRLJSA-N 2 1 272.393 -0.134 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000892307239 584614404 /nfs/dbraw/zinc/61/44/04/584614404.db2.gz WEYOERHHGWRNBG-SDDRHHMPSA-N 2 1 284.404 -0.119 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892556322 584618590 /nfs/dbraw/zinc/61/85/90/584618590.db2.gz XXNJRLMOWBHMGC-PHIMTYICSA-N 2 1 258.366 -0.663 20 0 CBADMP CC1(C)CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1CCO ZINC000892569893 584619327 /nfs/dbraw/zinc/61/93/27/584619327.db2.gz KADLPFWUCFDBCS-HAQNSBGRSA-N 2 1 284.404 -0.178 20 0 CBADMP CCC1([NH3+])CCN(C(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000892934843 584630037 /nfs/dbraw/zinc/63/00/37/584630037.db2.gz KZIKTDPDUGTSJJ-GFCCVEGCSA-N 2 1 284.404 -0.034 20 0 CBADMP CCC1([NH3+])CCN(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000892926829 584630042 /nfs/dbraw/zinc/63/00/42/584630042.db2.gz YJHSENGMXUTEFT-CQSZACIVSA-N 2 1 284.404 -0.034 20 0 CBADMP C[NH+]1CCC(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000893407041 584640567 /nfs/dbraw/zinc/64/05/67/584640567.db2.gz DPIWFERDWIAISZ-NSHDSACASA-N 2 1 266.345 -0.436 20 0 CBADMP C[NH+]1CCC(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC000893407040 584640602 /nfs/dbraw/zinc/64/06/02/584640602.db2.gz DPIWFERDWIAISZ-LLVKDONJSA-N 2 1 266.345 -0.436 20 0 CBADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)CC1 ZINC000894801225 584664657 /nfs/dbraw/zinc/66/46/57/584664657.db2.gz WVTTWILBMSEJPY-STQMWFEESA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)[C@H]1C[N@@H+](C)CCN1C ZINC000896531563 584701170 /nfs/dbraw/zinc/70/11/70/584701170.db2.gz PSWNUTWWUHKTGA-IJLUTSLNSA-N 2 1 256.394 -0.313 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000897716748 584723840 /nfs/dbraw/zinc/72/38/40/584723840.db2.gz KIUUEUMDDPDBAT-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000897716748 584723841 /nfs/dbraw/zinc/72/38/41/584723841.db2.gz KIUUEUMDDPDBAT-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000897716748 584723842 /nfs/dbraw/zinc/72/38/42/584723842.db2.gz KIUUEUMDDPDBAT-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000897716748 584723843 /nfs/dbraw/zinc/72/38/43/584723843.db2.gz KIUUEUMDDPDBAT-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP Cc1nc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n[nH]1 ZINC000898364435 584735735 /nfs/dbraw/zinc/73/57/35/584735735.db2.gz LPQWAPWJTIDVDP-UHFFFAOYSA-N 2 1 297.407 -0.252 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[N@H+](C)CCO)C2 ZINC000899738656 584778603 /nfs/dbraw/zinc/77/86/03/584778603.db2.gz KFVRYYZMZVAJCW-LBPRGKRZSA-N 2 1 280.372 -0.206 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[N@@H+](C)CCO)C2 ZINC000899738656 584778605 /nfs/dbraw/zinc/77/86/05/584778605.db2.gz KFVRYYZMZVAJCW-LBPRGKRZSA-N 2 1 280.372 -0.206 20 0 CBADMP CC[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000899907575 584783848 /nfs/dbraw/zinc/78/38/48/584783848.db2.gz HZIZTPRNOITHSL-CQSZACIVSA-N 2 1 269.389 -0.003 20 0 CBADMP CC[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000899907575 584783850 /nfs/dbraw/zinc/78/38/50/584783850.db2.gz HZIZTPRNOITHSL-CQSZACIVSA-N 2 1 269.389 -0.003 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)C12CC[NH+](CC1)C2 ZINC000899920217 584784992 /nfs/dbraw/zinc/78/49/92/584784992.db2.gz DYRHYRDDJTYQEQ-UHFFFAOYSA-N 2 1 267.373 -0.079 20 0 CBADMP C[NH+](C)CCCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000899919785 584784996 /nfs/dbraw/zinc/78/49/96/584784996.db2.gz FVQTZCYBVWMERC-CYBMUJFWSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC1CC[NH+](C)CC1 ZINC000900001334 584788201 /nfs/dbraw/zinc/78/82/01/584788201.db2.gz CTHPGEHLANVDEC-WCQYABFASA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000900305189 584799201 /nfs/dbraw/zinc/79/92/01/584799201.db2.gz GWDSJDCSQBXWQE-MDZLAQPJSA-N 2 1 255.362 -0.491 20 0 CBADMP C[NH+]1CC[C@H](CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900305189 584799202 /nfs/dbraw/zinc/79/92/02/584799202.db2.gz GWDSJDCSQBXWQE-MDZLAQPJSA-N 2 1 255.362 -0.491 20 0 CBADMP C[NH+]1CC[C@H](CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900305189 584799203 /nfs/dbraw/zinc/79/92/03/584799203.db2.gz GWDSJDCSQBXWQE-MDZLAQPJSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900306603 584799301 /nfs/dbraw/zinc/79/93/01/584799301.db2.gz UOZKKLWRSPRTHE-BZPMIXESSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+]1CC[C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900306603 584799302 /nfs/dbraw/zinc/79/93/02/584799302.db2.gz UOZKKLWRSPRTHE-BZPMIXESSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+]1CC[C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900306603 584799303 /nfs/dbraw/zinc/79/93/03/584799303.db2.gz UOZKKLWRSPRTHE-BZPMIXESSA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC1 ZINC000900374128 584801318 /nfs/dbraw/zinc/80/13/18/584801318.db2.gz MNMYIEAKTPCJDA-HIFRSBDPSA-N 2 1 299.415 -0.378 20 0 CBADMP COCC[NH+]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900374128 584801321 /nfs/dbraw/zinc/80/13/21/584801321.db2.gz MNMYIEAKTPCJDA-HIFRSBDPSA-N 2 1 299.415 -0.378 20 0 CBADMP COCC[NH+]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900374128 584801323 /nfs/dbraw/zinc/80/13/23/584801323.db2.gz MNMYIEAKTPCJDA-HIFRSBDPSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](C)CCn1cc(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cn1 ZINC000900473034 584806383 /nfs/dbraw/zinc/80/63/83/584806383.db2.gz BVDAVSGGWRZVED-GXTWGEPZSA-N 2 1 295.387 -0.162 20 0 CBADMP C[NH+](C)CCn1cc(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)cn1 ZINC000900473034 584806384 /nfs/dbraw/zinc/80/63/84/584806384.db2.gz BVDAVSGGWRZVED-GXTWGEPZSA-N 2 1 295.387 -0.162 20 0 CBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000900578826 584813212 /nfs/dbraw/zinc/81/32/12/584813212.db2.gz OCJRTMPXHFGQCC-IPYPFGDCSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000900578826 584813213 /nfs/dbraw/zinc/81/32/13/584813213.db2.gz OCJRTMPXHFGQCC-IPYPFGDCSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900578826 584813215 /nfs/dbraw/zinc/81/32/15/584813215.db2.gz OCJRTMPXHFGQCC-IPYPFGDCSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900578826 584813217 /nfs/dbraw/zinc/81/32/17/584813217.db2.gz OCJRTMPXHFGQCC-IPYPFGDCSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900625635 584817132 /nfs/dbraw/zinc/81/71/32/584817132.db2.gz XTKAKGIOZODCKZ-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900625635 584817134 /nfs/dbraw/zinc/81/71/34/584817134.db2.gz XTKAKGIOZODCKZ-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900625635 584817136 /nfs/dbraw/zinc/81/71/36/584817136.db2.gz XTKAKGIOZODCKZ-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CN(C(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C)[C@H]1CCC[N@@H+](C)C1 ZINC000900833383 584829616 /nfs/dbraw/zinc/82/96/16/584829616.db2.gz WBVMLGAYHORAJX-OUCADQQQSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)[C@H]1CCC[NH+](C)C1 ZINC000900833383 584829618 /nfs/dbraw/zinc/82/96/18/584829618.db2.gz WBVMLGAYHORAJX-OUCADQQQSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)[C@H]1CCC[NH+](C)C1 ZINC000900833383 584829620 /nfs/dbraw/zinc/82/96/20/584829620.db2.gz WBVMLGAYHORAJX-OUCADQQQSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000901138957 584851517 /nfs/dbraw/zinc/85/15/17/584851517.db2.gz OYKXICXMJAPMQP-GUTXKFCHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000901138957 584851518 /nfs/dbraw/zinc/85/15/18/584851518.db2.gz OYKXICXMJAPMQP-GUTXKFCHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](NC(=O)C[C@@]1(O)CCC[NH+](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000901138957 584851520 /nfs/dbraw/zinc/85/15/20/584851520.db2.gz OYKXICXMJAPMQP-GUTXKFCHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](NC(=O)C[C@@]1(O)CCC[NH+](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000901138957 584851522 /nfs/dbraw/zinc/85/15/22/584851522.db2.gz OYKXICXMJAPMQP-GUTXKFCHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)CCOCCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000901342091 584861897 /nfs/dbraw/zinc/86/18/97/584861897.db2.gz YURVPNLAIZTDFI-AAEUAGOBSA-N 2 1 273.377 -0.864 20 0 CBADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCO[C@]23CCOC3)C1 ZINC000903150709 584889433 /nfs/dbraw/zinc/88/94/33/584889433.db2.gz BAJOEIUDQYJAIZ-AVGNSLFASA-N 2 1 256.346 -0.409 20 0 CBADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCO[C@]23CCOC3)C1 ZINC000903150709 584889434 /nfs/dbraw/zinc/88/94/34/584889434.db2.gz BAJOEIUDQYJAIZ-AVGNSLFASA-N 2 1 256.346 -0.409 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000903421415 584890149 /nfs/dbraw/zinc/89/01/49/584890149.db2.gz OKTNAKRWFSSHKF-ILXRZTDVSA-N 2 1 294.443 -0.014 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000903421415 584890151 /nfs/dbraw/zinc/89/01/51/584890151.db2.gz OKTNAKRWFSSHKF-ILXRZTDVSA-N 2 1 294.443 -0.014 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439979 584890245 /nfs/dbraw/zinc/89/02/45/584890245.db2.gz SAOKCGKSNGFNJJ-WOPDTQHZSA-N 2 1 275.418 -0.145 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439979 584890246 /nfs/dbraw/zinc/89/02/46/584890246.db2.gz SAOKCGKSNGFNJJ-WOPDTQHZSA-N 2 1 275.418 -0.145 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000903449627 584890437 /nfs/dbraw/zinc/89/04/37/584890437.db2.gz WJJDHRXAFYWOIY-HZSPNIEDSA-N 2 1 280.416 -0.262 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454821 584890597 /nfs/dbraw/zinc/89/05/97/584890597.db2.gz KCEFITLWOYQKKQ-OUAUKWLOSA-N 2 1 269.345 -0.523 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454821 584890598 /nfs/dbraw/zinc/89/05/98/584890598.db2.gz KCEFITLWOYQKKQ-OUAUKWLOSA-N 2 1 269.345 -0.523 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCN[C@H](C(=O)N(C)C)C1 ZINC000903456699 584890638 /nfs/dbraw/zinc/89/06/38/584890638.db2.gz JGMOYZXALJTDRU-WOPDTQHZSA-N 2 1 254.378 -0.796 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCN[C@H](C(=O)N(C)C)C1 ZINC000903456699 584890639 /nfs/dbraw/zinc/89/06/39/584890639.db2.gz JGMOYZXALJTDRU-WOPDTQHZSA-N 2 1 254.378 -0.796 20 0 CBADMP CS(=O)(=O)NCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903469994 584890965 /nfs/dbraw/zinc/89/09/65/584890965.db2.gz YZRNEELYGCDOQE-SNVBAGLBSA-N 2 1 261.391 -0.200 20 0 CBADMP Cc1nc([C@@H]2CC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)no1 ZINC000903490728 584891587 /nfs/dbraw/zinc/89/15/87/584891587.db2.gz FUWNJGSLDAFXPI-GFCCVEGCSA-N 2 1 293.371 -0.011 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC000903490643 584891728 /nfs/dbraw/zinc/89/17/28/584891728.db2.gz BNLIHNFTMJBZTM-RBZYPMLTSA-N 2 1 281.356 -0.523 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H]1CCOC1=O)C2 ZINC000903492309 584891731 /nfs/dbraw/zinc/89/17/31/584891731.db2.gz AQGNJJDIJYHZKO-WJZNIJOASA-N 2 1 268.313 -0.486 20 0 CBADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1CS(N)(=O)=O ZINC000903706964 584895235 /nfs/dbraw/zinc/89/52/35/584895235.db2.gz JBOXZDOQYOVRJL-PWSUYJOCSA-N 2 1 275.418 -0.158 20 0 CBADMP CC(=O)N1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903716669 584895722 /nfs/dbraw/zinc/89/57/22/584895722.db2.gz BNJSFUAOQDFMOP-KGLIPLIRSA-N 2 1 267.373 -0.081 20 0 CBADMP COCC[N@@H+](CC(=O)N(C)C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723116 584895793 /nfs/dbraw/zinc/89/57/93/584895793.db2.gz UDSLCIJSRPTJHB-DZGCQCFKSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+](CC(=O)N(C)C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723116 584895794 /nfs/dbraw/zinc/89/57/94/584895794.db2.gz UDSLCIJSRPTJHB-DZGCQCFKSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC(=O)N1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723581 584895915 /nfs/dbraw/zinc/89/59/15/584895915.db2.gz ITBALUKPTPPWFV-UKRRQHHQSA-N 2 1 297.399 -0.454 20 0 CBADMP NC(=O)[C@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903726036 584895961 /nfs/dbraw/zinc/89/59/61/584895961.db2.gz JFHYEXGBOWPBDO-VXGBXAGGSA-N 2 1 283.372 -0.669 20 0 CBADMP NC(=O)[C@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903726036 584895962 /nfs/dbraw/zinc/89/59/62/584895962.db2.gz JFHYEXGBOWPBDO-VXGBXAGGSA-N 2 1 283.372 -0.669 20 0 CBADMP C[N@@H+](CC(=O)N1CCOCC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903724901 584895981 /nfs/dbraw/zinc/89/59/81/584895981.db2.gz SCRVSLMZHAWGJR-HIFRSBDPSA-N 2 1 297.399 -0.454 20 0 CBADMP C[N@H+](CC(=O)N1CCOCC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903724901 584895983 /nfs/dbraw/zinc/89/59/83/584895983.db2.gz SCRVSLMZHAWGJR-HIFRSBDPSA-N 2 1 297.399 -0.454 20 0 CBADMP COCC(=O)N1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723580 584896005 /nfs/dbraw/zinc/89/60/05/584896005.db2.gz ITBALUKPTPPWFV-HIFRSBDPSA-N 2 1 297.399 -0.454 20 0 CBADMP COCC(=O)N1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723582 584896017 /nfs/dbraw/zinc/89/60/17/584896017.db2.gz ITBALUKPTPPWFV-ZFWWWQNUSA-N 2 1 297.399 -0.454 20 0 CBADMP C[N@@H+](CC(=O)N1CCOCC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903724903 584896043 /nfs/dbraw/zinc/89/60/43/584896043.db2.gz SCRVSLMZHAWGJR-ZFWWWQNUSA-N 2 1 297.399 -0.454 20 0 CBADMP C[N@H+](CC(=O)N1CCOCC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903724903 584896045 /nfs/dbraw/zinc/89/60/45/584896045.db2.gz SCRVSLMZHAWGJR-ZFWWWQNUSA-N 2 1 297.399 -0.454 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCCO1 ZINC000903760031 584897849 /nfs/dbraw/zinc/89/78/49/584897849.db2.gz FGCDHMMMKQDGSY-BFHYXJOUSA-N 3 1 269.389 -0.195 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCCO1 ZINC000903760031 584897850 /nfs/dbraw/zinc/89/78/50/584897850.db2.gz FGCDHMMMKQDGSY-BFHYXJOUSA-N 3 1 269.389 -0.195 20 0 CBADMP O[C@@H]1C[C@H]2CN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC[N@H+]2C1 ZINC000903769146 584898005 /nfs/dbraw/zinc/89/80/05/584898005.db2.gz YRCDLDJUKWCDCM-XGUBFFRZSA-N 2 1 281.400 -0.494 20 0 CBADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903765480 584898045 /nfs/dbraw/zinc/89/80/45/584898045.db2.gz IFPDIXXKTQIPCX-UBHSHLNASA-N 2 1 267.373 -0.048 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903770830 584898323 /nfs/dbraw/zinc/89/83/23/584898323.db2.gz ZDFLBTPQJDSCNK-KBPBESRZSA-N 3 1 271.405 -0.077 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)CC[C@@H]1C[NH3+] ZINC000903788162 584899710 /nfs/dbraw/zinc/89/97/10/584899710.db2.gz CZCPNLGTPUJFST-VXGBXAGGSA-N 2 1 275.418 -0.061 20 0 CBADMP C[C@H]1C[N@@H+](CCN2CCCS2(=O)=O)CC[C@@H]1C[NH3+] ZINC000903788160 584899751 /nfs/dbraw/zinc/89/97/51/584899751.db2.gz CZCPNLGTPUJFST-NWDGAFQWSA-N 2 1 275.418 -0.061 20 0 CBADMP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1(C[NH3+])CCOCC1 ZINC000903809765 584900595 /nfs/dbraw/zinc/90/05/95/584900595.db2.gz KXTNJYADVRRNDT-GFCCVEGCSA-N 3 1 269.389 -0.195 20 0 CBADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1(C[NH3+])CCOCC1 ZINC000903809765 584900596 /nfs/dbraw/zinc/90/05/96/584900596.db2.gz KXTNJYADVRRNDT-GFCCVEGCSA-N 3 1 269.389 -0.195 20 0 CBADMP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1(CN)CCOCC1 ZINC000903809765 584900598 /nfs/dbraw/zinc/90/05/98/584900598.db2.gz KXTNJYADVRRNDT-GFCCVEGCSA-N 2 1 269.389 -0.195 20 0 CBADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1(CN)CCOCC1 ZINC000903809765 584900599 /nfs/dbraw/zinc/90/05/99/584900599.db2.gz KXTNJYADVRRNDT-GFCCVEGCSA-N 2 1 269.389 -0.195 20 0 CBADMP C[NH2+]CCN(C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000903819021 584900732 /nfs/dbraw/zinc/90/07/32/584900732.db2.gz DREXZFDAVDYCEV-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH2+]CCN(C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000903819021 584900734 /nfs/dbraw/zinc/90/07/34/584900734.db2.gz DREXZFDAVDYCEV-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP NC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000903827259 584901007 /nfs/dbraw/zinc/90/10/07/584901007.db2.gz RBAKEQDRKFDPCO-HUBLWGQQSA-N 2 1 279.384 -0.048 20 0 CBADMP CC[N@@H+](CCC(=O)NC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903825972 584901031 /nfs/dbraw/zinc/90/10/31/584901031.db2.gz GRFPKJGILASJNS-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903857841 584902373 /nfs/dbraw/zinc/90/23/73/584902373.db2.gz WQTGSWYOGNWUNS-BXKDBHETSA-N 2 1 254.334 -0.355 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903857841 584902375 /nfs/dbraw/zinc/90/23/75/584902375.db2.gz WQTGSWYOGNWUNS-BXKDBHETSA-N 2 1 254.334 -0.355 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@]12CC[NH2+]C2 ZINC000903870612 584902725 /nfs/dbraw/zinc/90/27/25/584902725.db2.gz ODBLBPIQHSUAIZ-ZIAGYGMSSA-N 2 1 271.405 -0.247 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873827 584902949 /nfs/dbraw/zinc/90/29/49/584902949.db2.gz YXISRPRVQXIXQI-PSEXLTFBSA-N 2 1 295.383 -0.120 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873827 584902951 /nfs/dbraw/zinc/90/29/51/584902951.db2.gz YXISRPRVQXIXQI-PSEXLTFBSA-N 2 1 295.383 -0.120 20 0 CBADMP COC[C@H]1C[NH2+]CCN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000903880988 584903727 /nfs/dbraw/zinc/90/37/27/584903727.db2.gz OIJQYTXXSZTQGZ-CHWSQXEVSA-N 2 1 257.378 -0.373 20 0 CBADMP COC[C@H]1C[NH2+]CCN1CC[N@H+]1CCO[C@H](C)C1 ZINC000903880988 584903728 /nfs/dbraw/zinc/90/37/28/584903728.db2.gz OIJQYTXXSZTQGZ-CHWSQXEVSA-N 2 1 257.378 -0.373 20 0 CBADMP CC[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903883740 584903767 /nfs/dbraw/zinc/90/37/67/584903767.db2.gz YYWBRDKKNQGORC-NWDGAFQWSA-N 2 1 267.373 -0.035 20 0 CBADMP COCC[N@@H+](CCO)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903890507 584904088 /nfs/dbraw/zinc/90/40/88/584904088.db2.gz DCEDEDORIFHGLM-CYBMUJFWSA-N 2 1 284.404 -0.213 20 0 CBADMP [NH3+][C@H](CC(F)F)CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000903905486 584904435 /nfs/dbraw/zinc/90/44/35/584904435.db2.gz HIKMQHKDTZAEHQ-GHMZBOCLSA-N 2 1 290.358 -0.135 20 0 CBADMP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903908122 584904489 /nfs/dbraw/zinc/90/44/89/584904489.db2.gz DBJNRLLOKLAYLX-NQBHXWOUSA-N 2 1 292.387 -0.183 20 0 CBADMP CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903923609 584904722 /nfs/dbraw/zinc/90/47/22/584904722.db2.gz YIMAZHMWKLRKLW-RKDXNWHRSA-N 2 1 285.360 -0.018 20 0 CBADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)CCOCC[NH3+])cnn1C ZINC000903933946 584904902 /nfs/dbraw/zinc/90/49/02/584904902.db2.gz BSECYLNPAVBYMA-ZDUSSCGKSA-N 3 1 283.420 -0.247 20 0 CBADMP Cc1c(C[C@@H](C[NH3+])CN(C)CCOCC[NH3+])cnn1C ZINC000903933946 584904903 /nfs/dbraw/zinc/90/49/03/584904903.db2.gz BSECYLNPAVBYMA-ZDUSSCGKSA-N 2 1 283.420 -0.247 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000903964385 584905117 /nfs/dbraw/zinc/90/51/17/584905117.db2.gz OUCBOAVBGHVVIB-MWLCHTKSSA-N 2 1 261.391 -0.392 20 0 CBADMP CC1(C)C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1N ZINC000903986688 584905470 /nfs/dbraw/zinc/90/54/70/584905470.db2.gz PLTDWWGQWRBYOM-NWDGAFQWSA-N 2 1 268.405 -0.147 20 0 CBADMP CC1(C)C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1N ZINC000903986688 584905472 /nfs/dbraw/zinc/90/54/72/584905472.db2.gz PLTDWWGQWRBYOM-NWDGAFQWSA-N 2 1 268.405 -0.147 20 0 CBADMP CC1(C)C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H]1N ZINC000903986687 584905492 /nfs/dbraw/zinc/90/54/92/584905492.db2.gz PLTDWWGQWRBYOM-NEPJUHHUSA-N 2 1 268.405 -0.147 20 0 CBADMP CC1(C)C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H]1N ZINC000903986687 584905494 /nfs/dbraw/zinc/90/54/94/584905494.db2.gz PLTDWWGQWRBYOM-NEPJUHHUSA-N 2 1 268.405 -0.147 20 0 CBADMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000971735830 614074907 /nfs/dbraw/zinc/07/49/07/614074907.db2.gz MAAYIBFHNXQXOZ-AAEUAGOBSA-N 2 1 284.404 -0.409 20 0 CBADMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000971735830 614074909 /nfs/dbraw/zinc/07/49/09/614074909.db2.gz MAAYIBFHNXQXOZ-AAEUAGOBSA-N 2 1 284.404 -0.409 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)CC(N)=O)C1 ZINC000971525596 614351460 /nfs/dbraw/zinc/35/14/60/614351460.db2.gz PDLUSAUWXBHYAO-OLZOCXBDSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000961581735 614363334 /nfs/dbraw/zinc/36/33/34/614363334.db2.gz MXRVAOWJPVNVRH-RQJABVFESA-N 2 1 297.399 -0.866 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000961581735 614363335 /nfs/dbraw/zinc/36/33/35/614363335.db2.gz MXRVAOWJPVNVRH-RQJABVFESA-N 2 1 297.399 -0.866 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000961581735 614363336 /nfs/dbraw/zinc/36/33/36/614363336.db2.gz MXRVAOWJPVNVRH-RQJABVFESA-N 2 1 297.399 -0.866 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000961581735 614363337 /nfs/dbraw/zinc/36/33/37/614363337.db2.gz MXRVAOWJPVNVRH-RQJABVFESA-N 2 1 297.399 -0.866 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2C[NH+](CCO)C2)C1 ZINC000970325574 614363435 /nfs/dbraw/zinc/36/34/35/614363435.db2.gz HRMMLXDZLXBIEV-GXTWGEPZSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2C[NH+](CCO)C2)C1 ZINC000970325574 614363436 /nfs/dbraw/zinc/36/34/36/614363436.db2.gz HRMMLXDZLXBIEV-GXTWGEPZSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[NH2+]CC1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000961663711 615081303 /nfs/dbraw/zinc/08/13/03/615081303.db2.gz PLRUIPFDBAGXFN-MCIGGMRASA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+]CC1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000961663711 615081305 /nfs/dbraw/zinc/08/13/05/615081305.db2.gz PLRUIPFDBAGXFN-MCIGGMRASA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC000979403030 615109592 /nfs/dbraw/zinc/10/95/92/615109592.db2.gz ACPXERJZZXNNGC-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000962759227 615112394 /nfs/dbraw/zinc/11/23/94/615112394.db2.gz ZLHNTZDFLMTGFR-RQJABVFESA-N 2 1 281.400 -0.101 20 0 CBADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000962759227 615112395 /nfs/dbraw/zinc/11/23/95/615112395.db2.gz ZLHNTZDFLMTGFR-RQJABVFESA-N 2 1 281.400 -0.101 20 0 CBADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000962759227 615112396 /nfs/dbraw/zinc/11/23/96/615112396.db2.gz ZLHNTZDFLMTGFR-RQJABVFESA-N 2 1 281.400 -0.101 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CCO)C2)C1 ZINC000980454687 615181845 /nfs/dbraw/zinc/18/18/45/615181845.db2.gz WMPXKBGCNHPVOX-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CCO)C2)C1 ZINC000980454687 615181846 /nfs/dbraw/zinc/18/18/46/615181846.db2.gz WMPXKBGCNHPVOX-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@H+](C)CCO)C2)C1 ZINC000980454687 615181848 /nfs/dbraw/zinc/18/18/48/615181848.db2.gz WMPXKBGCNHPVOX-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)C1 ZINC000980454687 615181850 /nfs/dbraw/zinc/18/18/50/615181850.db2.gz WMPXKBGCNHPVOX-STQMWFEESA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000962660018 615184500 /nfs/dbraw/zinc/18/45/00/615184500.db2.gz BQSFXXFBPPRRQY-RFQIPJPRSA-N 2 1 297.399 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000962660018 615184501 /nfs/dbraw/zinc/18/45/01/615184501.db2.gz BQSFXXFBPPRRQY-RFQIPJPRSA-N 2 1 297.399 -0.864 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC000962660018 615184502 /nfs/dbraw/zinc/18/45/02/615184502.db2.gz BQSFXXFBPPRRQY-RFQIPJPRSA-N 2 1 297.399 -0.864 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC000962660018 615184503 /nfs/dbraw/zinc/18/45/03/615184503.db2.gz BQSFXXFBPPRRQY-RFQIPJPRSA-N 2 1 297.399 -0.864 20 0 CBADMP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1)C(N)=O ZINC000970724940 615538062 /nfs/dbraw/zinc/53/80/62/615538062.db2.gz YJFGEBZJNQSOCL-VXGBXAGGSA-N 2 1 293.371 -0.354 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405563 615616313 /nfs/dbraw/zinc/61/63/13/615616313.db2.gz KDXCGVYVWQLKOV-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC000969595032 615822731 /nfs/dbraw/zinc/82/27/31/615822731.db2.gz LIGJZSKVLHHIQZ-GRYCIOLGSA-N 2 1 282.388 -0.465 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC000968924810 616045030 /nfs/dbraw/zinc/04/50/30/616045030.db2.gz YERRLNHFZBWINJ-DGCLKSJQSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972734834 616053480 /nfs/dbraw/zinc/05/34/80/616053480.db2.gz GGJIQWNUJMKPQH-LLVKDONJSA-N 2 1 280.372 -0.900 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972734834 616053481 /nfs/dbraw/zinc/05/34/81/616053481.db2.gz GGJIQWNUJMKPQH-LLVKDONJSA-N 2 1 280.372 -0.900 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971551864 616054205 /nfs/dbraw/zinc/05/42/05/616054205.db2.gz KZTUUZXHGHRREQ-OLZOCXBDSA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971551864 616054206 /nfs/dbraw/zinc/05/42/06/616054206.db2.gz KZTUUZXHGHRREQ-OLZOCXBDSA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971204700 616054251 /nfs/dbraw/zinc/05/42/51/616054251.db2.gz NQVSLGDJJLACPJ-GHMZBOCLSA-N 2 1 268.361 -0.901 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971204700 616054252 /nfs/dbraw/zinc/05/42/52/616054252.db2.gz NQVSLGDJJLACPJ-GHMZBOCLSA-N 2 1 268.361 -0.901 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000971204700 616054253 /nfs/dbraw/zinc/05/42/53/616054253.db2.gz NQVSLGDJJLACPJ-GHMZBOCLSA-N 2 1 268.361 -0.901 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000971204700 616054254 /nfs/dbraw/zinc/05/42/54/616054254.db2.gz NQVSLGDJJLACPJ-GHMZBOCLSA-N 2 1 268.361 -0.901 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1)C1CC1 ZINC000971687299 616055558 /nfs/dbraw/zinc/05/55/58/616055558.db2.gz XJXJCMWABDCCNN-WCQYABFASA-N 2 1 282.388 -0.655 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1)C1CC1 ZINC000971687299 616055559 /nfs/dbraw/zinc/05/55/59/616055559.db2.gz XJXJCMWABDCCNN-WCQYABFASA-N 2 1 282.388 -0.655 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971551870 616055889 /nfs/dbraw/zinc/05/58/89/616055889.db2.gz KZTUUZXHGHRREQ-STQMWFEESA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971551870 616055890 /nfs/dbraw/zinc/05/58/90/616055890.db2.gz KZTUUZXHGHRREQ-STQMWFEESA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@H+](CCO)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972551382 616109798 /nfs/dbraw/zinc/10/97/98/616109798.db2.gz IHBDGTVXCAMJRU-CYBMUJFWSA-N 2 1 285.388 -0.766 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972551382 616109799 /nfs/dbraw/zinc/10/97/99/616109799.db2.gz IHBDGTVXCAMJRU-CYBMUJFWSA-N 2 1 285.388 -0.766 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)CC1 ZINC000961663249 616167584 /nfs/dbraw/zinc/16/75/84/616167584.db2.gz MIINOGVIVNVSOB-WDNDVIMCSA-N 2 1 281.400 -0.243 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972633655 616175187 /nfs/dbraw/zinc/17/51/87/616175187.db2.gz BCBKAOMYBAHJLN-ZDUSSCGKSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000960590841 616184604 /nfs/dbraw/zinc/18/46/04/616184604.db2.gz BZVLLHBJZNARRH-QNWHQSFQSA-N 2 1 267.373 -0.491 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000983326460 616194255 /nfs/dbraw/zinc/19/42/55/616194255.db2.gz PTMYRLWEQOHSPO-ZDEQEGDKSA-N 2 1 294.399 -0.547 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)CC1(C)C ZINC000972860826 616194356 /nfs/dbraw/zinc/19/43/56/616194356.db2.gz USVSJWKMVLAMDD-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)CC1(C)C ZINC000972860826 616194357 /nfs/dbraw/zinc/19/43/57/616194357.db2.gz USVSJWKMVLAMDD-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)CC1(C)C ZINC000972860826 616194358 /nfs/dbraw/zinc/19/43/58/616194358.db2.gz USVSJWKMVLAMDD-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC000972860826 616194359 /nfs/dbraw/zinc/19/43/59/616194359.db2.gz USVSJWKMVLAMDD-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC000963632622 616210905 /nfs/dbraw/zinc/21/09/05/616210905.db2.gz UMDWZOCXRMQWHA-WAQQSHLVSA-N 2 1 294.399 -0.417 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000958413937 616212751 /nfs/dbraw/zinc/21/27/51/616212751.db2.gz BBMPSYMVBDVXOE-WHOHXGKFSA-N 2 1 253.346 -0.881 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000958413937 616212752 /nfs/dbraw/zinc/21/27/52/616212752.db2.gz BBMPSYMVBDVXOE-WHOHXGKFSA-N 2 1 253.346 -0.881 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000958413937 616212753 /nfs/dbraw/zinc/21/27/53/616212753.db2.gz BBMPSYMVBDVXOE-WHOHXGKFSA-N 2 1 253.346 -0.881 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000968967502 616213374 /nfs/dbraw/zinc/21/33/74/616213374.db2.gz RSXCSZRDSSAXSB-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCO)C1 ZINC000968796085 616252311 /nfs/dbraw/zinc/25/23/11/616252311.db2.gz FHABISJNPIFYBE-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCO)C1 ZINC000968796085 616252312 /nfs/dbraw/zinc/25/23/12/616252312.db2.gz FHABISJNPIFYBE-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CCO)C1 ZINC000968796085 616252313 /nfs/dbraw/zinc/25/23/13/616252313.db2.gz FHABISJNPIFYBE-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CCO)C1 ZINC000968796085 616252314 /nfs/dbraw/zinc/25/23/14/616252314.db2.gz FHABISJNPIFYBE-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940648271 616253370 /nfs/dbraw/zinc/25/33/70/616253370.db2.gz YQPNIIKUPSMXFP-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940648271 616253371 /nfs/dbraw/zinc/25/33/71/616253371.db2.gz YQPNIIKUPSMXFP-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCO)CC2(C)C)C1 ZINC000940648271 616253372 /nfs/dbraw/zinc/25/33/72/616253372.db2.gz YQPNIIKUPSMXFP-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCO)CC2(C)C)C1 ZINC000940648271 616253373 /nfs/dbraw/zinc/25/33/73/616253373.db2.gz YQPNIIKUPSMXFP-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCC([NH2+]CCO)CC1 ZINC000963180992 616257300 /nfs/dbraw/zinc/25/73/00/616257300.db2.gz YPHRZWATLZXPPS-RUXDESIVSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCC([NH2+]CCO)CC1 ZINC000963180992 616257301 /nfs/dbraw/zinc/25/73/01/616257301.db2.gz YPHRZWATLZXPPS-RUXDESIVSA-N 2 1 299.415 -0.332 20 0 CBADMP CN1CCO[C@H](C(=O)N[C@H]2C[N@@H+](CCCO)CC2(C)C)C1 ZINC000972991033 616260146 /nfs/dbraw/zinc/26/01/46/616260146.db2.gz CNOXLUBDTIQXDZ-STQMWFEESA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCC[NH+](CC(N)=O)C3)C1 ZINC000982148368 616264275 /nfs/dbraw/zinc/26/42/75/616264275.db2.gz GCHIRQWGDWGVHW-GFCCVEGCSA-N 2 1 294.399 -0.652 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCC[NH+](CC(N)=O)C3)C1 ZINC000982148368 616264276 /nfs/dbraw/zinc/26/42/76/616264276.db2.gz GCHIRQWGDWGVHW-GFCCVEGCSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)C1 ZINC000982148368 616264277 /nfs/dbraw/zinc/26/42/77/616264277.db2.gz GCHIRQWGDWGVHW-GFCCVEGCSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)C1 ZINC000982148368 616264278 /nfs/dbraw/zinc/26/42/78/616264278.db2.gz GCHIRQWGDWGVHW-GFCCVEGCSA-N 2 1 294.399 -0.652 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCF)C[C@H]32)C1 ZINC000962554843 616267762 /nfs/dbraw/zinc/26/77/62/616267762.db2.gz OADWTKRYWJMZMP-WYUUTHIRSA-N 2 1 255.337 -0.046 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000962554843 616267763 /nfs/dbraw/zinc/26/77/63/616267763.db2.gz OADWTKRYWJMZMP-WYUUTHIRSA-N 2 1 255.337 -0.046 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000962554843 616267764 /nfs/dbraw/zinc/26/77/64/616267764.db2.gz OADWTKRYWJMZMP-WYUUTHIRSA-N 2 1 255.337 -0.046 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)C1 ZINC000962554843 616267765 /nfs/dbraw/zinc/26/77/65/616267765.db2.gz OADWTKRYWJMZMP-WYUUTHIRSA-N 2 1 255.337 -0.046 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)C1 ZINC000962554843 616267766 /nfs/dbraw/zinc/26/77/66/616267766.db2.gz OADWTKRYWJMZMP-WYUUTHIRSA-N 2 1 255.337 -0.046 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000972733793 616268852 /nfs/dbraw/zinc/26/88/52/616268852.db2.gz RZIBBHDTALQNHU-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972733793 616268853 /nfs/dbraw/zinc/26/88/53/616268853.db2.gz RZIBBHDTALQNHU-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972733793 616268854 /nfs/dbraw/zinc/26/88/54/616268854.db2.gz RZIBBHDTALQNHU-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000970481225 616269061 /nfs/dbraw/zinc/26/90/61/616269061.db2.gz AILXINFTNUHZHE-NWDGAFQWSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCF)C[C@H]32)C1 ZINC000962554837 616380247 /nfs/dbraw/zinc/38/02/47/616380247.db2.gz OADWTKRYWJMZMP-NNYUYHANSA-N 2 1 255.337 -0.046 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000962554837 616380250 /nfs/dbraw/zinc/38/02/50/616380250.db2.gz OADWTKRYWJMZMP-NNYUYHANSA-N 2 1 255.337 -0.046 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000962554837 616380252 /nfs/dbraw/zinc/38/02/52/616380252.db2.gz OADWTKRYWJMZMP-NNYUYHANSA-N 2 1 255.337 -0.046 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)C1 ZINC000962554837 616380255 /nfs/dbraw/zinc/38/02/55/616380255.db2.gz OADWTKRYWJMZMP-NNYUYHANSA-N 2 1 255.337 -0.046 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)C1 ZINC000962554837 616380258 /nfs/dbraw/zinc/38/02/58/616380258.db2.gz OADWTKRYWJMZMP-NNYUYHANSA-N 2 1 255.337 -0.046 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590956 616441575 /nfs/dbraw/zinc/44/15/75/616441575.db2.gz DCXVTVAKLHQFGL-QWHCGFSZSA-N 2 1 297.399 -0.863 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962557873 616466319 /nfs/dbraw/zinc/46/63/19/616466319.db2.gz VIPPNNLGLFLGOF-IMRBUKKESA-N 2 1 267.373 -0.225 20 0 CBADMP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962565347 616467550 /nfs/dbraw/zinc/46/75/50/616467550.db2.gz NWRWYHXLMWALPL-IMRBUKKESA-N 2 1 278.356 -0.116 20 0 CBADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962565347 616467552 /nfs/dbraw/zinc/46/75/52/616467552.db2.gz NWRWYHXLMWALPL-IMRBUKKESA-N 2 1 278.356 -0.116 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961656356 616641862 /nfs/dbraw/zinc/64/18/62/616641862.db2.gz MYZFDTXNDLQDKW-IMRBUKKESA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961656356 616641864 /nfs/dbraw/zinc/64/18/64/616641864.db2.gz MYZFDTXNDLQDKW-IMRBUKKESA-N 2 1 294.399 -0.879 20 0 CBADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000897440081 656292895 /nfs/dbraw/zinc/29/28/95/656292895.db2.gz MPVLAQMGVMJNLH-AAEUAGOBSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(S(=O)(=O)C3C[NH2+]C3)CC[C@H]21 ZINC000923665644 658388133 /nfs/dbraw/zinc/38/81/33/658388133.db2.gz GABJLEDRGDTIFJ-MWLCHTKSSA-N 2 1 259.375 -0.686 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H](Nc3ncccn3)C2)C1 ZINC000923384198 658244518 /nfs/dbraw/zinc/24/45/18/658244518.db2.gz CSDKQOMPTLDJAX-BJDJZHNGSA-N 2 1 263.345 -0.187 20 0 CBADMP COCCOC[C@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923379893 658245340 /nfs/dbraw/zinc/24/53/40/658245340.db2.gz BKRNFARJMQCDFG-GFCCVEGCSA-N 2 1 258.362 -0.162 20 0 CBADMP C[C@H]1CC[N@@H+](CCN2C(=O)CN(C)C2=O)C[C@@H]1C[NH3+] ZINC000923375656 658245823 /nfs/dbraw/zinc/24/58/23/658245823.db2.gz OMBWGDYPMSNMBL-QWRGUYRKSA-N 2 1 268.361 -0.203 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)CCCO1 ZINC000923377802 658246061 /nfs/dbraw/zinc/24/60/61/658246061.db2.gz CBZUHAFDIOFYJR-MELADBBJSA-N 2 1 288.388 -0.408 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)CCCO1 ZINC000923377802 658246079 /nfs/dbraw/zinc/24/60/79/658246079.db2.gz CBZUHAFDIOFYJR-MELADBBJSA-N 2 1 288.388 -0.408 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000923378547 658246221 /nfs/dbraw/zinc/24/62/21/658246221.db2.gz FCNKTRAPRBTVOL-UONOGXRCSA-N 2 1 271.405 -0.247 20 0 CBADMP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487220 658304702 /nfs/dbraw/zinc/30/47/02/658304702.db2.gz BCYDHZMWPPVDIR-GHMZBOCLSA-N 2 1 286.376 -0.482 20 0 CBADMP C[C@H]1C[N@@H+](CCS(=O)(=O)N(C)C)CC[C@@H]1C[NH3+] ZINC000923488406 658304747 /nfs/dbraw/zinc/30/47/47/658304747.db2.gz FLMRTBXMZROAJU-WDEREUQCSA-N 2 1 263.407 -0.206 20 0 CBADMP NS(=O)(=O)C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000923531092 658314811 /nfs/dbraw/zinc/31/48/11/658314811.db2.gz NTHFJFJRWKSOKQ-VXGBXAGGSA-N 2 1 275.418 -0.014 20 0 CBADMP NS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000923531360 658315987 /nfs/dbraw/zinc/31/59/87/658315987.db2.gz OWOWKETUCBTVCU-HBNTYKKESA-N 2 1 261.391 -0.276 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)C1C[NH2+]C1 ZINC000923619594 658356182 /nfs/dbraw/zinc/35/61/82/658356182.db2.gz XTXLNIPBKNBRDX-KOLCDFICSA-N 2 1 261.391 -0.440 20 0 CBADMP C[C@H]1C[C@@H](N(C)S(=O)(=O)C2C[NH2+]C2)CC[N@H+]1C ZINC000923617492 658356431 /nfs/dbraw/zinc/35/64/31/658356431.db2.gz DHONMGXSXGYISA-UWVGGRQHSA-N 2 1 261.391 -0.298 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923623202 658357954 /nfs/dbraw/zinc/35/79/54/658357954.db2.gz YCFUWRCREGPNRV-JTQLQIEISA-N 2 1 261.391 -0.438 20 0 CBADMP C[N@H+]1CC[C@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000923665121 658387918 /nfs/dbraw/zinc/38/79/18/658387918.db2.gz BUOKGLLELMQOSY-NWDGAFQWSA-N 2 1 288.417 -0.838 20 0 CBADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+](C)CCO ZINC000925007505 658736573 /nfs/dbraw/zinc/73/65/73/658736573.db2.gz QEOMYEMFNZFURC-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925788027 658871879 /nfs/dbraw/zinc/87/18/79/658871879.db2.gz XNIBFJNWHHNCOL-NOOOWODRSA-N 2 1 255.362 -0.275 20 0 CBADMP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000969156856 658956069 /nfs/dbraw/zinc/95/60/69/658956069.db2.gz ITSPAKUJSBXYRQ-GHMZBOCLSA-N 2 1 296.371 -0.079 20 0 CBADMP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000928448365 659024271 /nfs/dbraw/zinc/02/42/71/659024271.db2.gz NVUJOAMOXMJZQW-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H]1[C@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000928452417 659026776 /nfs/dbraw/zinc/02/67/76/659026776.db2.gz YKKDDCRTFXWATP-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1[C@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000928452417 659026778 /nfs/dbraw/zinc/02/67/78/659026778.db2.gz YKKDDCRTFXWATP-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP COC[C@@]1(CO)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000930656502 659316260 /nfs/dbraw/zinc/31/62/60/659316260.db2.gz BIGAMSIJZFCVCO-KBPBESRZSA-N 2 1 272.389 -0.226 20 0 CBADMP COC[C@@]1(CO)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000930656502 659316266 /nfs/dbraw/zinc/31/62/66/659316266.db2.gz BIGAMSIJZFCVCO-KBPBESRZSA-N 2 1 272.389 -0.226 20 0 CBADMP COCC[N@@H+](C[C@@H](O)CO)CC1CC[NH+](C)CC1 ZINC000931380287 659439195 /nfs/dbraw/zinc/43/91/95/659439195.db2.gz HWPKBWSRAGHQQD-CYBMUJFWSA-N 2 1 260.378 -0.370 20 0 CBADMP COC(=O)[C@@](C)(O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436020 659460890 /nfs/dbraw/zinc/46/08/90/659460890.db2.gz JWIBIJXGVOSTCP-LOWVWBTDSA-N 2 1 256.346 -0.206 20 0 CBADMP COC(=O)[C@@](C)(O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436020 659460903 /nfs/dbraw/zinc/46/09/03/659460903.db2.gz JWIBIJXGVOSTCP-LOWVWBTDSA-N 2 1 256.346 -0.206 20 0 CBADMP COC(=O)[C@@](C)(O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436020 659460934 /nfs/dbraw/zinc/46/09/34/659460934.db2.gz JWIBIJXGVOSTCP-LOWVWBTDSA-N 2 1 256.346 -0.206 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436594 659461842 /nfs/dbraw/zinc/46/18/42/659461842.db2.gz IUEYMKMPRLMNSW-RRFJBIMHSA-N 2 1 285.432 -0.191 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436594 659461851 /nfs/dbraw/zinc/46/18/51/659461851.db2.gz IUEYMKMPRLMNSW-RRFJBIMHSA-N 2 1 285.432 -0.191 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436594 659461857 /nfs/dbraw/zinc/46/18/57/659461857.db2.gz IUEYMKMPRLMNSW-RRFJBIMHSA-N 2 1 285.432 -0.191 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436594 659461862 /nfs/dbraw/zinc/46/18/62/659461862.db2.gz IUEYMKMPRLMNSW-RRFJBIMHSA-N 2 1 285.432 -0.191 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436594 659461865 /nfs/dbraw/zinc/46/18/65/659461865.db2.gz IUEYMKMPRLMNSW-RRFJBIMHSA-N 2 1 285.432 -0.191 20 0 CBADMP COCCN(C)C[C@@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436594 659461871 /nfs/dbraw/zinc/46/18/71/659461871.db2.gz IUEYMKMPRLMNSW-RRFJBIMHSA-N 2 1 285.432 -0.191 20 0 CBADMP COCCN(C)C[C@@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436594 659461889 /nfs/dbraw/zinc/46/18/89/659461889.db2.gz IUEYMKMPRLMNSW-RRFJBIMHSA-N 2 1 285.432 -0.191 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC000931437532 659463690 /nfs/dbraw/zinc/46/36/90/659463690.db2.gz RZRPGFPLQATBQN-VWYCJHECSA-N 2 1 251.330 -0.325 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC000931437532 659463692 /nfs/dbraw/zinc/46/36/92/659463692.db2.gz RZRPGFPLQATBQN-VWYCJHECSA-N 2 1 251.330 -0.325 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC000931437532 659463697 /nfs/dbraw/zinc/46/36/97/659463697.db2.gz RZRPGFPLQATBQN-VWYCJHECSA-N 2 1 251.330 -0.325 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CCCC(=O)NC(N)=O)C[C@@H]2C1 ZINC000931434430 659464285 /nfs/dbraw/zinc/46/42/85/659464285.db2.gz USWYUYMYIZTOMN-MNOVXSKESA-N 2 1 268.361 -0.155 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CCCC(=O)NC(N)=O)C[C@@H]2C1 ZINC000931434430 659464308 /nfs/dbraw/zinc/46/43/08/659464308.db2.gz USWYUYMYIZTOMN-MNOVXSKESA-N 2 1 268.361 -0.155 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC(=O)NC(N)=O)C[C@@H]2C1 ZINC000931434430 659464318 /nfs/dbraw/zinc/46/43/18/659464318.db2.gz USWYUYMYIZTOMN-MNOVXSKESA-N 2 1 268.361 -0.155 20 0 CBADMP Cn1nnnc1CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931442069 659465588 /nfs/dbraw/zinc/46/55/88/659465588.db2.gz TVXUMWLSOMNCJE-MNOVXSKESA-N 2 1 250.350 -0.364 20 0 CBADMP Cn1nnnc1CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931442069 659465608 /nfs/dbraw/zinc/46/56/08/659465608.db2.gz TVXUMWLSOMNCJE-MNOVXSKESA-N 2 1 250.350 -0.364 20 0 CBADMP Cn1nnnc1CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931442069 659465624 /nfs/dbraw/zinc/46/56/24/659465624.db2.gz TVXUMWLSOMNCJE-MNOVXSKESA-N 2 1 250.350 -0.364 20 0 CBADMP C[N@H+]1CCC[C@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000044558099 656010579 /nfs/dbraw/zinc/01/05/79/656010579.db2.gz HRGRKXWFLSXUIL-VXGBXAGGSA-N 2 1 275.418 0.000 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@H](C)CO1 ZINC000053298631 656026520 /nfs/dbraw/zinc/02/65/20/656026520.db2.gz YDAZAAFHWCQPTI-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP COCCNC(=[NH2+])NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000066246629 656036408 /nfs/dbraw/zinc/03/64/08/656036408.db2.gz JORNZZASDCAXFO-LBPRGKRZSA-N 2 1 299.419 -0.520 20 0 CBADMP CCOC[C@@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000069280083 656039214 /nfs/dbraw/zinc/03/92/14/656039214.db2.gz GWFXGHIAGSSXCS-RYUDHWBXSA-N 2 1 273.377 -0.829 20 0 CBADMP O=C(COC1CC[NH2+]CC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091667898 656059261 /nfs/dbraw/zinc/05/92/61/656059261.db2.gz OJVFDJVHCRVYOU-TZMCWYRMSA-N 2 1 297.399 -0.266 20 0 CBADMP CN(C)C(=O)CN1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000121178252 656066826 /nfs/dbraw/zinc/06/68/26/656066826.db2.gz TUVCCZBCEZLJOK-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000220260727 656105127 /nfs/dbraw/zinc/10/51/27/656105127.db2.gz WACVOYUEHVPLDC-LLVKDONJSA-N 2 1 278.422 -0.544 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000250374324 656121893 /nfs/dbraw/zinc/12/18/93/656121893.db2.gz JSLVLEFFWBPRQF-VXGBXAGGSA-N 2 1 254.378 -0.524 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250254494 656122014 /nfs/dbraw/zinc/12/20/14/656122014.db2.gz IXGATTNYYAFMCK-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250572378 656122024 /nfs/dbraw/zinc/12/20/24/656122024.db2.gz LHHYPMLCHVAIAG-DYEKYZERSA-N 2 1 296.415 -0.171 20 0 CBADMP CC(C)[NH2+]CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252554298 656122897 /nfs/dbraw/zinc/12/28/97/656122897.db2.gz ROVZDHFQGUTCGL-RYUDHWBXSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000252779895 656123952 /nfs/dbraw/zinc/12/39/52/656123952.db2.gz QDKNANADYSKTHU-GRYCIOLGSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000252779895 656123955 /nfs/dbraw/zinc/12/39/55/656123955.db2.gz QDKNANADYSKTHU-GRYCIOLGSA-N 2 1 255.362 -0.097 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261594068 656125137 /nfs/dbraw/zinc/12/51/37/656125137.db2.gz NHUKRPQFKGVPBH-QWHCGFSZSA-N 2 1 268.405 -0.119 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261594069 656125389 /nfs/dbraw/zinc/12/53/89/656125389.db2.gz NHUKRPQFKGVPBH-STQMWFEESA-N 2 1 268.405 -0.119 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)[C@@H](C)C1 ZINC000310849834 656144340 /nfs/dbraw/zinc/14/43/40/656144340.db2.gz IWDVXSKREPNADZ-STQMWFEESA-N 2 1 259.394 -0.439 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](C)[C@@H](C)C1 ZINC000310849834 656144342 /nfs/dbraw/zinc/14/43/42/656144342.db2.gz IWDVXSKREPNADZ-STQMWFEESA-N 2 1 259.394 -0.439 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000310849834 656144345 /nfs/dbraw/zinc/14/43/45/656144345.db2.gz IWDVXSKREPNADZ-STQMWFEESA-N 2 1 259.394 -0.439 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000311169811 656145611 /nfs/dbraw/zinc/14/56/11/656145611.db2.gz RZFYWDUEFOTBCM-AVGNSLFASA-N 2 1 259.394 -0.405 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000311601520 656145726 /nfs/dbraw/zinc/14/57/26/656145726.db2.gz TUBGZBZJSDGWAF-UONOGXRCSA-N 2 1 271.405 -0.389 20 0 CBADMP C[NH2+]C[C@@H]1CCCCN1C[C@@H](O)C[N@@H+](C)CCOC ZINC000311456046 656145746 /nfs/dbraw/zinc/14/57/46/656145746.db2.gz KOJATYKQGUZXOB-KBPBESRZSA-N 2 1 273.421 -0.001 20 0 CBADMP CC[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CCOC)CC[C@H]1[NH3+] ZINC000311686258 656146083 /nfs/dbraw/zinc/14/60/83/656146083.db2.gz JQTGMAMUYBJOEV-HZSPNIEDSA-N 2 1 273.421 -0.015 20 0 CBADMP CC[C@@H]1C[N@H+](C[C@@H](O)CN(C)CCOC)CC[C@H]1[NH3+] ZINC000311686258 656146088 /nfs/dbraw/zinc/14/60/88/656146088.db2.gz JQTGMAMUYBJOEV-HZSPNIEDSA-N 2 1 273.421 -0.015 20 0 CBADMP CC[C@@H]1C[N@@H+](C[C@@H](O)CN(C)CCOC)CC[C@H]1[NH3+] ZINC000311686258 656146089 /nfs/dbraw/zinc/14/60/89/656146089.db2.gz JQTGMAMUYBJOEV-HZSPNIEDSA-N 2 1 273.421 -0.015 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC000353428806 656162056 /nfs/dbraw/zinc/16/20/56/656162056.db2.gz FFDOASNGSLNSGX-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000353428806 656162058 /nfs/dbraw/zinc/16/20/58/656162058.db2.gz FFDOASNGSLNSGX-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000353428806 656162062 /nfs/dbraw/zinc/16/20/62/656162062.db2.gz FFDOASNGSLNSGX-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000353428806 656162069 /nfs/dbraw/zinc/16/20/69/656162069.db2.gz FFDOASNGSLNSGX-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP O=C1[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CCOCC1 ZINC000359307710 656164950 /nfs/dbraw/zinc/16/49/50/656164950.db2.gz OBYJICZUJYOSSZ-SCRDCRAPSA-N 2 1 279.384 -0.083 20 0 CBADMP CN(C[C@@H](O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO)C1CC1 ZINC000709823318 656196104 /nfs/dbraw/zinc/19/61/04/656196104.db2.gz ALLXRBQINLUVKB-IACUBPJLSA-N 2 1 272.389 -0.493 20 0 CBADMP CN(C[C@@H](O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO)C1CC1 ZINC000709823318 656196106 /nfs/dbraw/zinc/19/61/06/656196106.db2.gz ALLXRBQINLUVKB-IACUBPJLSA-N 2 1 272.389 -0.493 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@@H](CO)[C@H]1CO ZINC000709827192 656196166 /nfs/dbraw/zinc/19/61/66/656196166.db2.gz QQYWQEBOHJFLSH-MELADBBJSA-N 2 1 274.405 -0.247 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1CO ZINC000709827192 656196168 /nfs/dbraw/zinc/19/61/68/656196168.db2.gz QQYWQEBOHJFLSH-MELADBBJSA-N 2 1 274.405 -0.247 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1CO ZINC000709827192 656196170 /nfs/dbraw/zinc/19/61/70/656196170.db2.gz QQYWQEBOHJFLSH-MELADBBJSA-N 2 1 274.405 -0.247 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709827192 656196171 /nfs/dbraw/zinc/19/61/71/656196171.db2.gz QQYWQEBOHJFLSH-MELADBBJSA-N 2 1 274.405 -0.247 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709827192 656196172 /nfs/dbraw/zinc/19/61/72/656196172.db2.gz QQYWQEBOHJFLSH-MELADBBJSA-N 2 1 274.405 -0.247 20 0 CBADMP OC[C@@H]1CCC[N@H+](C[C@H](O)CN2CCCC2)[C@@H]1CO ZINC000709825987 656196517 /nfs/dbraw/zinc/19/65/17/656196517.db2.gz MCJAFIZPSQYCNW-BFHYXJOUSA-N 2 1 272.389 -0.492 20 0 CBADMP OC[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2)[C@@H]1CO ZINC000709825987 656196520 /nfs/dbraw/zinc/19/65/20/656196520.db2.gz MCJAFIZPSQYCNW-BFHYXJOUSA-N 2 1 272.389 -0.492 20 0 CBADMP OC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]1CO ZINC000709825987 656196522 /nfs/dbraw/zinc/19/65/22/656196522.db2.gz MCJAFIZPSQYCNW-BFHYXJOUSA-N 2 1 272.389 -0.492 20 0 CBADMP OC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]1CO ZINC000709825987 656196526 /nfs/dbraw/zinc/19/65/26/656196526.db2.gz MCJAFIZPSQYCNW-BFHYXJOUSA-N 2 1 272.389 -0.492 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710784758 656201305 /nfs/dbraw/zinc/20/13/05/656201305.db2.gz TUFAFQNKBOBBGS-JSGCOSHPSA-N 2 1 285.388 -0.408 20 0 CBADMP C[C@]1(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C[NH2+]CCO1 ZINC000710784237 656201415 /nfs/dbraw/zinc/20/14/15/656201415.db2.gz QGEKEUBNVKGTBM-SGMGOOAPSA-N 2 1 283.372 -0.656 20 0 CBADMP COC[C@@]1(C(=O)N2CC[NH+](C(C)C)CC2)C[NH2+]CCO1 ZINC000710781454 656201549 /nfs/dbraw/zinc/20/15/49/656201549.db2.gz DKEVHEQTNYXPAL-CQSZACIVSA-N 2 1 285.388 -0.456 20 0 CBADMP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH2+]CCO1 ZINC000710789903 656202434 /nfs/dbraw/zinc/20/24/34/656202434.db2.gz QTCOWUWWMZHWMI-BZPMIXESSA-N 2 1 285.388 -0.410 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710829886 656204233 /nfs/dbraw/zinc/20/42/33/656204233.db2.gz PTVVVHRTIWKERA-JSGCOSHPSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710829887 656204789 /nfs/dbraw/zinc/20/47/89/656204789.db2.gz PTVVVHRTIWKERA-OCCSQVGLSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C2OCCO2)C1 ZINC000719025946 656233858 /nfs/dbraw/zinc/23/38/58/656233858.db2.gz VHIKSIIQXWPSAC-NEPJUHHUSA-N 2 1 258.362 -0.006 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C2OCCO2)C1 ZINC000719025946 656233861 /nfs/dbraw/zinc/23/38/61/656233861.db2.gz VHIKSIIQXWPSAC-NEPJUHHUSA-N 2 1 258.362 -0.006 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719025946 656233864 /nfs/dbraw/zinc/23/38/64/656233864.db2.gz VHIKSIIQXWPSAC-NEPJUHHUSA-N 2 1 258.362 -0.006 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719025946 656233868 /nfs/dbraw/zinc/23/38/68/656233868.db2.gz VHIKSIIQXWPSAC-NEPJUHHUSA-N 2 1 258.362 -0.006 20 0 CBADMP C[C@@H]1CN(C(=S)NCCC[NH+](C)C)CC[N@@H+]1CCO ZINC000777498298 656239639 /nfs/dbraw/zinc/23/96/39/656239639.db2.gz JXEKGNFHWUIEDW-GFCCVEGCSA-N 2 1 288.461 -0.189 20 0 CBADMP C[C@@H]1CN(C(=S)NCCC[NH+](C)C)CC[N@H+]1CCO ZINC000777498298 656239654 /nfs/dbraw/zinc/23/96/54/656239654.db2.gz JXEKGNFHWUIEDW-GFCCVEGCSA-N 2 1 288.461 -0.189 20 0 CBADMP C[C@@H]1CN(C(=S)NCC[NH+](C)C)CC[N@@H+]1CCO ZINC000777498141 656239933 /nfs/dbraw/zinc/23/99/33/656239933.db2.gz IIKVYWQMKZVCRU-LLVKDONJSA-N 2 1 274.434 -0.579 20 0 CBADMP C[C@@H]1CN(C(=S)NCC[NH+](C)C)CC[N@H+]1CCO ZINC000777498141 656239935 /nfs/dbraw/zinc/23/99/35/656239935.db2.gz IIKVYWQMKZVCRU-LLVKDONJSA-N 2 1 274.434 -0.579 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884720374 656254560 /nfs/dbraw/zinc/25/45/60/656254560.db2.gz MBBQMVCAOHHDGU-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884720374 656254564 /nfs/dbraw/zinc/25/45/64/656254564.db2.gz MBBQMVCAOHHDGU-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000897561195 656293416 /nfs/dbraw/zinc/29/34/16/656293416.db2.gz ZDTHNVVFJSPFAG-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000897561195 656293421 /nfs/dbraw/zinc/29/34/21/656293421.db2.gz ZDTHNVVFJSPFAG-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H]1CN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC[N@@H+]1C ZINC000900846178 656313341 /nfs/dbraw/zinc/31/33/41/656313341.db2.gz FZEIPCFAQNNAMB-GXTWGEPZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1CN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC[N@H+]1C ZINC000900846178 656313342 /nfs/dbraw/zinc/31/33/42/656313342.db2.gz FZEIPCFAQNNAMB-GXTWGEPZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1CN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC[NH+]1C ZINC000900846178 656313346 /nfs/dbraw/zinc/31/33/46/656313346.db2.gz FZEIPCFAQNNAMB-GXTWGEPZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1CN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC[NH+]1C ZINC000900846178 656313349 /nfs/dbraw/zinc/31/33/49/656313349.db2.gz FZEIPCFAQNNAMB-GXTWGEPZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CC[N@H+](CCNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900913725 656314398 /nfs/dbraw/zinc/31/43/98/656314398.db2.gz ZBSIAFNSMZPZIM-BZPMIXESSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900913725 656314402 /nfs/dbraw/zinc/31/44/02/656314402.db2.gz ZBSIAFNSMZPZIM-BZPMIXESSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900913725 656314403 /nfs/dbraw/zinc/31/44/03/656314403.db2.gz ZBSIAFNSMZPZIM-BZPMIXESSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CC[NH+](CCNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900913725 656314405 /nfs/dbraw/zinc/31/44/05/656314405.db2.gz ZBSIAFNSMZPZIM-BZPMIXESSA-N 2 1 269.389 -0.101 20 0 CBADMP NS(=O)(=O)[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903753243 656321912 /nfs/dbraw/zinc/32/19/12/656321912.db2.gz SIVNZVPGOHCARE-MNOVXSKESA-N 2 1 261.391 -0.261 20 0 CBADMP NS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903753243 656321917 /nfs/dbraw/zinc/32/19/17/656321917.db2.gz SIVNZVPGOHCARE-MNOVXSKESA-N 2 1 261.391 -0.261 20 0 CBADMP NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507364 656322082 /nfs/dbraw/zinc/32/20/82/656322082.db2.gz XJIRLCKGMXRGEV-TXEJJXNPSA-N 2 1 252.362 -0.628 20 0 CBADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000904332143 656325190 /nfs/dbraw/zinc/32/51/90/656325190.db2.gz NOXXLVYBTUKABQ-FRRDWIJNSA-N 2 1 266.389 -0.380 20 0 CBADMP [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 656325727 /nfs/dbraw/zinc/32/57/27/656325727.db2.gz YFFBOEPETLNUQI-OFTGVCEQSA-N 3 1 280.372 -0.409 20 0 CBADMP C[C@@]1(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904428428 656326708 /nfs/dbraw/zinc/32/67/08/656326708.db2.gz KHOSHKMZCQKZEO-VXGBXAGGSA-N 2 1 275.418 -0.014 20 0 CBADMP c1cc(N2CC[NH2+]CC2)oc1C[NH2+][C@@H]1CNOC1 ZINC000904423863 656326883 /nfs/dbraw/zinc/32/68/83/656326883.db2.gz JZHUHKREUVUJNU-SNVBAGLBSA-N 2 1 252.318 -0.318 20 0 CBADMP CC1(C)C[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904461409 656327946 /nfs/dbraw/zinc/32/79/46/656327946.db2.gz JJTCDEGSWXZNAB-NEPJUHHUSA-N 3 1 268.405 -0.229 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000904958463 656330854 /nfs/dbraw/zinc/33/08/54/656330854.db2.gz GRZPVCFHWVNCTK-YWPYICTPSA-N 2 1 294.399 -0.783 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC([NH3+])CC3)C[C@]2(C)C1 ZINC000904959697 656330889 /nfs/dbraw/zinc/33/08/89/656330889.db2.gz LLKMQKPOSZPMEG-ABAIWWIYSA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)C2(O)CCC2)CC1(C)C ZINC000905245023 656346095 /nfs/dbraw/zinc/34/60/95/656346095.db2.gz BHIAKEKMPBJJMD-CYBMUJFWSA-N 2 1 285.432 -0.122 20 0 CBADMP NS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000905294916 656348935 /nfs/dbraw/zinc/34/89/35/656348935.db2.gz LZCSSVIWILJOLG-PHIMTYICSA-N 2 1 274.390 -0.910 20 0 CBADMP NS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000905294916 656348938 /nfs/dbraw/zinc/34/89/38/656348938.db2.gz LZCSSVIWILJOLG-PHIMTYICSA-N 2 1 274.390 -0.910 20 0 CBADMP C[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000905329727 656349324 /nfs/dbraw/zinc/34/93/24/656349324.db2.gz MSMYGJMWTDBSEH-QWRGUYRKSA-N 2 1 275.418 -0.002 20 0 CBADMP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000905342465 656350757 /nfs/dbraw/zinc/35/07/57/656350757.db2.gz AHWPSFHQGTZRTM-SNVBAGLBSA-N 2 1 297.371 -0.097 20 0 CBADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C1(O)CCC1 ZINC000905344594 656351434 /nfs/dbraw/zinc/35/14/34/656351434.db2.gz KHDGRHYWYJRUGL-NWDGAFQWSA-N 2 1 258.362 -0.691 20 0 CBADMP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905365336 656354507 /nfs/dbraw/zinc/35/45/07/656354507.db2.gz OICFPKWLTCQTQK-CHWSQXEVSA-N 2 1 274.405 -0.055 20 0 CBADMP C[C@H](O)CN1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906595999 656393196 /nfs/dbraw/zinc/39/31/96/656393196.db2.gz PVHQGTFZVXEAHZ-ZDUSSCGKSA-N 2 1 298.431 -0.995 20 0 CBADMP C[C@@H](O)CN1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906595997 656393292 /nfs/dbraw/zinc/39/32/92/656393292.db2.gz PVHQGTFZVXEAHZ-CYBMUJFWSA-N 2 1 298.431 -0.995 20 0 CBADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906646635 656395190 /nfs/dbraw/zinc/39/51/90/656395190.db2.gz USMYBFAAEAAMTL-LLVKDONJSA-N 2 1 276.340 -0.096 20 0 CBADMP COC(=O)CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000906662226 656395985 /nfs/dbraw/zinc/39/59/85/656395985.db2.gz VTLLIQIHABGGRE-LLVKDONJSA-N 2 1 283.372 -0.166 20 0 CBADMP COC(=O)CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000906662226 656395989 /nfs/dbraw/zinc/39/59/89/656395989.db2.gz VTLLIQIHABGGRE-LLVKDONJSA-N 2 1 283.372 -0.166 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996610787 656446851 /nfs/dbraw/zinc/44/68/51/656446851.db2.gz KNKOKGMNNXWRPB-NWDGAFQWSA-N 2 1 269.389 -0.243 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC000996802694 656457519 /nfs/dbraw/zinc/45/75/19/656457519.db2.gz SFWKOSOZBCQGFL-LLVKDONJSA-N 2 1 293.371 -0.354 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997007888 656463242 /nfs/dbraw/zinc/46/32/42/656463242.db2.gz RGIMMFSCFWZVLJ-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC000997299608 656471755 /nfs/dbraw/zinc/47/17/55/656471755.db2.gz PYDUPEKIBMPOCR-QWRGUYRKSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC(N)=O)CC1 ZINC000997515142 656484330 /nfs/dbraw/zinc/48/43/30/656484330.db2.gz JAHVHJSMYDFKQQ-WCQYABFASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000907516243 656518824 /nfs/dbraw/zinc/51/88/24/656518824.db2.gz UAUSFKKQTQTHBA-QWHCGFSZSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000907516243 656518827 /nfs/dbraw/zinc/51/88/27/656518827.db2.gz UAUSFKKQTQTHBA-QWHCGFSZSA-N 2 1 281.400 -0.004 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]CC(N)=O)C1 ZINC000998550677 656546562 /nfs/dbraw/zinc/54/65/62/656546562.db2.gz OJEGEANOZGXDLC-ILDUYXDCSA-N 2 1 268.361 -0.855 20 0 CBADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC([NH2+]CCF)C1 ZINC000998588171 656549733 /nfs/dbraw/zinc/54/97/33/656549733.db2.gz YGBDHTULBDNMEW-HTAVTVPLSA-N 2 1 273.352 -0.135 20 0 CBADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CCF)C1 ZINC000998588171 656549741 /nfs/dbraw/zinc/54/97/41/656549741.db2.gz YGBDHTULBDNMEW-HTAVTVPLSA-N 2 1 273.352 -0.135 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC000999124656 656611486 /nfs/dbraw/zinc/61/14/86/656611486.db2.gz FOFQXAPHMOGTTC-UNXYVOJBSA-N 2 1 293.371 -0.356 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)CC[N@H+]1C ZINC000999197959 656615720 /nfs/dbraw/zinc/61/57/20/656615720.db2.gz ZJQDQEVAYMCJTB-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC(ONC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000908029506 656627668 /nfs/dbraw/zinc/62/76/68/656627668.db2.gz LWGFVAUWMXPQJS-CQSZACIVSA-N 2 1 285.388 -0.025 20 0 CBADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]CCO)C1 ZINC000999687783 656645470 /nfs/dbraw/zinc/64/54/70/656645470.db2.gz JWGIBDNUBWQCMF-PNESKVBLSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCc2cncn2C1 ZINC000908134090 656652506 /nfs/dbraw/zinc/65/25/06/656652506.db2.gz MYSWJPWYRQEDLP-QKCSRTOESA-N 2 1 278.356 -0.231 20 0 CBADMP CN1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCc2cncn2C1 ZINC000908134090 656652515 /nfs/dbraw/zinc/65/25/15/656652515.db2.gz MYSWJPWYRQEDLP-QKCSRTOESA-N 2 1 278.356 -0.231 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000908201957 656667112 /nfs/dbraw/zinc/66/71/12/656667112.db2.gz NNMPTVDLKCZYEE-XQQFMLRXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908201957 656667117 /nfs/dbraw/zinc/66/71/17/656667117.db2.gz NNMPTVDLKCZYEE-XQQFMLRXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000908201957 656667126 /nfs/dbraw/zinc/66/71/26/656667126.db2.gz NNMPTVDLKCZYEE-XQQFMLRXSA-N 2 1 267.373 -0.252 20 0 CBADMP C[N@H+]1CCC[C@](O)(CC(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000908205559 656670517 /nfs/dbraw/zinc/67/05/17/656670517.db2.gz NLMJLKQMVJKQAL-ZFWWWQNUSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908206966 656673113 /nfs/dbraw/zinc/67/31/13/656673113.db2.gz CZKJBBKMHZGJAK-YRGRVCCFSA-N 2 1 285.388 -0.986 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908206966 656673130 /nfs/dbraw/zinc/67/31/30/656673130.db2.gz CZKJBBKMHZGJAK-YRGRVCCFSA-N 2 1 285.388 -0.986 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000004678 656678541 /nfs/dbraw/zinc/67/85/41/656678541.db2.gz CTSRWCNTHVBFKO-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000004678 656678543 /nfs/dbraw/zinc/67/85/43/656678543.db2.gz CTSRWCNTHVBFKO-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)C1 ZINC000908346886 656709988 /nfs/dbraw/zinc/70/99/88/656709988.db2.gz IMNSCJNVTKAEHI-OCCSQVGLSA-N 2 1 280.416 -0.358 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)C1 ZINC000908346886 656709994 /nfs/dbraw/zinc/70/99/94/656709994.db2.gz IMNSCJNVTKAEHI-OCCSQVGLSA-N 2 1 280.416 -0.358 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC000908346886 656710006 /nfs/dbraw/zinc/71/00/06/656710006.db2.gz IMNSCJNVTKAEHI-OCCSQVGLSA-N 2 1 280.416 -0.358 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[C@H]3C[NH+](C)C[C@@H]32)C1 ZINC000908346884 656710897 /nfs/dbraw/zinc/71/08/97/656710897.db2.gz IMNSCJNVTKAEHI-JSGCOSHPSA-N 2 1 280.416 -0.358 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)C1 ZINC000908346884 656710903 /nfs/dbraw/zinc/71/09/03/656710903.db2.gz IMNSCJNVTKAEHI-JSGCOSHPSA-N 2 1 280.416 -0.358 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC000908346884 656710911 /nfs/dbraw/zinc/71/09/11/656710911.db2.gz IMNSCJNVTKAEHI-JSGCOSHPSA-N 2 1 280.416 -0.358 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001000522337 656732262 /nfs/dbraw/zinc/73/22/62/656732262.db2.gz PXEUTHXGJPDVER-LBPRGKRZSA-N 2 1 280.372 -0.686 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001000522337 656732268 /nfs/dbraw/zinc/73/22/68/656732268.db2.gz PXEUTHXGJPDVER-LBPRGKRZSA-N 2 1 280.372 -0.686 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001000522337 656732273 /nfs/dbraw/zinc/73/22/73/656732273.db2.gz PXEUTHXGJPDVER-LBPRGKRZSA-N 2 1 280.372 -0.686 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001000522337 656732277 /nfs/dbraw/zinc/73/22/77/656732277.db2.gz PXEUTHXGJPDVER-LBPRGKRZSA-N 2 1 280.372 -0.686 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001000516932 656732794 /nfs/dbraw/zinc/73/27/94/656732794.db2.gz CJNVTPJHAOEPPE-YPMHNXCESA-N 2 1 294.399 -0.297 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001000516932 656732799 /nfs/dbraw/zinc/73/27/99/656732799.db2.gz CJNVTPJHAOEPPE-YPMHNXCESA-N 2 1 294.399 -0.297 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001000516932 656732804 /nfs/dbraw/zinc/73/28/04/656732804.db2.gz CJNVTPJHAOEPPE-YPMHNXCESA-N 2 1 294.399 -0.297 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001000516932 656732809 /nfs/dbraw/zinc/73/28/09/656732809.db2.gz CJNVTPJHAOEPPE-YPMHNXCESA-N 2 1 294.399 -0.297 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001000516927 656733634 /nfs/dbraw/zinc/73/36/34/656733634.db2.gz CJNVTPJHAOEPPE-AAEUAGOBSA-N 2 1 294.399 -0.297 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001000516927 656733644 /nfs/dbraw/zinc/73/36/44/656733644.db2.gz CJNVTPJHAOEPPE-AAEUAGOBSA-N 2 1 294.399 -0.297 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001000516927 656733648 /nfs/dbraw/zinc/73/36/48/656733648.db2.gz CJNVTPJHAOEPPE-AAEUAGOBSA-N 2 1 294.399 -0.297 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001000516927 656733655 /nfs/dbraw/zinc/73/36/55/656733655.db2.gz CJNVTPJHAOEPPE-AAEUAGOBSA-N 2 1 294.399 -0.297 20 0 CBADMP C[NH+](C)CCONC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908527457 656739922 /nfs/dbraw/zinc/73/99/22/656739922.db2.gz FNDGBKGHNQNSGG-GFCCVEGCSA-N 2 1 259.350 -0.557 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001000919798 656773682 /nfs/dbraw/zinc/77/36/82/656773682.db2.gz MZBPWYUTMABEGC-NSHDSACASA-N 2 1 279.344 -0.743 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001000919836 656773910 /nfs/dbraw/zinc/77/39/10/656773910.db2.gz NHBWKDZORNQCIR-ZYHUDNBSSA-N 2 1 293.371 -0.354 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001000917890 656774538 /nfs/dbraw/zinc/77/45/38/656774538.db2.gz AMVYDZWRWSEJCJ-GFCCVEGCSA-N 2 1 266.345 -0.236 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001001446696 656811217 /nfs/dbraw/zinc/81/12/17/656811217.db2.gz RTVQEUJMQYMNTF-DGCLKSJQSA-N 2 1 294.399 -0.440 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001001446696 656811218 /nfs/dbraw/zinc/81/12/18/656811218.db2.gz RTVQEUJMQYMNTF-DGCLKSJQSA-N 2 1 294.399 -0.440 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001001446696 656811221 /nfs/dbraw/zinc/81/12/21/656811221.db2.gz RTVQEUJMQYMNTF-DGCLKSJQSA-N 2 1 294.399 -0.440 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001001446696 656811224 /nfs/dbraw/zinc/81/12/24/656811224.db2.gz RTVQEUJMQYMNTF-DGCLKSJQSA-N 2 1 294.399 -0.440 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCC2=CC[NH+](CC(N)=O)CC2)C1 ZINC001001453063 656811407 /nfs/dbraw/zinc/81/14/07/656811407.db2.gz SZSNWGVXVUUINC-LBPRGKRZSA-N 2 1 280.372 -0.828 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2=CC[NH+](CC(N)=O)CC2)C1 ZINC001001453063 656811410 /nfs/dbraw/zinc/81/14/10/656811410.db2.gz SZSNWGVXVUUINC-LBPRGKRZSA-N 2 1 280.372 -0.828 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)C1 ZINC001001453063 656811412 /nfs/dbraw/zinc/81/14/12/656811412.db2.gz SZSNWGVXVUUINC-LBPRGKRZSA-N 2 1 280.372 -0.828 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)C1 ZINC001001453063 656811413 /nfs/dbraw/zinc/81/14/13/656811413.db2.gz SZSNWGVXVUUINC-LBPRGKRZSA-N 2 1 280.372 -0.828 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000909437438 656813247 /nfs/dbraw/zinc/81/32/47/656813247.db2.gz IYSILDGZLMVJNQ-ZFWWWQNUSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000909437438 656813248 /nfs/dbraw/zinc/81/32/48/656813248.db2.gz IYSILDGZLMVJNQ-ZFWWWQNUSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000909437438 656813250 /nfs/dbraw/zinc/81/32/50/656813250.db2.gz IYSILDGZLMVJNQ-ZFWWWQNUSA-N 2 1 299.415 -0.642 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000909437438 656813253 /nfs/dbraw/zinc/81/32/53/656813253.db2.gz IYSILDGZLMVJNQ-ZFWWWQNUSA-N 2 1 299.415 -0.642 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCO)CC1 ZINC001002474155 656834261 /nfs/dbraw/zinc/83/42/61/656834261.db2.gz IOPAYMOGQCGCJI-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP NC(=O)C[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003974858 656878806 /nfs/dbraw/zinc/87/88/06/656878806.db2.gz NJYPSTIJTUVOHY-UHFFFAOYSA-N 2 1 280.372 -0.852 20 0 CBADMP C[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004150238 656881237 /nfs/dbraw/zinc/88/12/37/656881237.db2.gz QRONHAAIQQJLMP-NWDGAFQWSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000910693266 656884183 /nfs/dbraw/zinc/88/41/83/656884183.db2.gz RXJZRDVKKWYTCM-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000910693266 656884184 /nfs/dbraw/zinc/88/41/84/656884184.db2.gz RXJZRDVKKWYTCM-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001005181523 656894555 /nfs/dbraw/zinc/89/45/55/656894555.db2.gz XMOWKSSCRNCKTF-DGCLKSJQSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001005181523 656894556 /nfs/dbraw/zinc/89/45/56/656894556.db2.gz XMOWKSSCRNCKTF-DGCLKSJQSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000911009591 656928445 /nfs/dbraw/zinc/92/84/45/656928445.db2.gz SUIWTBMGUASAAQ-NOOOWODRSA-N 2 1 282.388 -0.691 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001006000204 656935310 /nfs/dbraw/zinc/93/53/10/656935310.db2.gz FGCOIIJTUKRMDO-YPMHNXCESA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001006000204 656935316 /nfs/dbraw/zinc/93/53/16/656935316.db2.gz FGCOIIJTUKRMDO-YPMHNXCESA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000911072207 656939094 /nfs/dbraw/zinc/93/90/94/656939094.db2.gz HCCZQNFQJOKNCS-CKYFFXLPSA-N 2 1 280.372 -0.855 20 0 CBADMP 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 656939911 /nfs/dbraw/zinc/93/99/11/656939911.db2.gz JOWCRMSFDBCMEV-YRRQLQLVSA-N 2 1 292.383 -0.652 20 0 CBADMP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000911073283 656940665 /nfs/dbraw/zinc/94/06/65/656940665.db2.gz RGFQUVSMQACJBQ-TUAOUCFPSA-N 2 1 294.399 -0.417 20 0 CBADMP C[NH2+]CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000911074050 656941123 /nfs/dbraw/zinc/94/11/23/656941123.db2.gz YPBJSKCJYVTKDI-GFCCVEGCSA-N 2 1 296.415 -0.204 20 0 CBADMP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000911073490 656941259 /nfs/dbraw/zinc/94/12/59/656941259.db2.gz SSZQFRYQJDZCSF-JQWIXIFHSA-N 2 1 294.399 -0.547 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911136585 656959898 /nfs/dbraw/zinc/95/98/98/656959898.db2.gz AMKHOFFXFZUIOY-LLVKDONJSA-N 2 1 293.371 -0.497 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911137715 656960377 /nfs/dbraw/zinc/96/03/77/656960377.db2.gz GKHVPOXYHCOLQD-UHFFFAOYSA-N 2 1 270.377 -0.558 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911144504 656962408 /nfs/dbraw/zinc/96/24/08/656962408.db2.gz AAYYQMACKONBOW-MRBYEJRBSA-N 2 1 294.399 -0.561 20 0 CBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911147760 656963095 /nfs/dbraw/zinc/96/30/95/656963095.db2.gz SNCIVOOYXUQZDC-WFFHOREQSA-N 2 1 294.399 -0.691 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000911148332 656965316 /nfs/dbraw/zinc/96/53/16/656965316.db2.gz XCNQRUSZVAXGCK-BJDJZHNGSA-N 2 1 294.399 -0.419 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911185973 656976209 /nfs/dbraw/zinc/97/62/09/656976209.db2.gz DZUYMLHQVUWRGH-IJLUTSLNSA-N 2 1 284.404 -0.314 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000911199136 656981218 /nfs/dbraw/zinc/98/12/18/656981218.db2.gz AGVIQZNYINAMED-OUCADQQQSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000911199136 656981228 /nfs/dbraw/zinc/98/12/28/656981228.db2.gz AGVIQZNYINAMED-OUCADQQQSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000911199136 656981240 /nfs/dbraw/zinc/98/12/40/656981240.db2.gz AGVIQZNYINAMED-OUCADQQQSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000911199137 656982005 /nfs/dbraw/zinc/98/20/05/656982005.db2.gz AGVIQZNYINAMED-SCRDCRAPSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000911199137 656982011 /nfs/dbraw/zinc/98/20/11/656982011.db2.gz AGVIQZNYINAMED-SCRDCRAPSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000911199137 656982021 /nfs/dbraw/zinc/98/20/21/656982021.db2.gz AGVIQZNYINAMED-SCRDCRAPSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000911205347 656984370 /nfs/dbraw/zinc/98/43/70/656984370.db2.gz JTNVVEPNWQXHJL-UTUOFQBUSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911211263 656987462 /nfs/dbraw/zinc/98/74/62/656987462.db2.gz UHCGRWIIIJWTOD-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911256505 657000530 /nfs/dbraw/zinc/00/05/30/657000530.db2.gz VCFGUFBOHHQMMM-UHFFFAOYSA-N 2 1 270.377 -0.558 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911259212 657001190 /nfs/dbraw/zinc/00/11/90/657001190.db2.gz WAQYEPUKXVSDHG-NSHDSACASA-N 2 1 296.415 -0.170 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000911269699 657004354 /nfs/dbraw/zinc/00/43/54/657004354.db2.gz OGPBBRPKFPIKJK-MNOVXSKESA-N 2 1 280.372 -0.663 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911274745 657006661 /nfs/dbraw/zinc/00/66/61/657006661.db2.gz ROXNREYNFVHLNZ-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911274745 657006669 /nfs/dbraw/zinc/00/66/69/657006669.db2.gz ROXNREYNFVHLNZ-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000911280887 657008274 /nfs/dbraw/zinc/00/82/74/657008274.db2.gz NDZUFRWRTCTVIY-LBPRGKRZSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000911280887 657008286 /nfs/dbraw/zinc/00/82/86/657008286.db2.gz NDZUFRWRTCTVIY-LBPRGKRZSA-N 2 1 284.404 -0.489 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C[C@]2(C)C1 ZINC000911280980 657008347 /nfs/dbraw/zinc/00/83/47/657008347.db2.gz CHAMRIDOGPZLDY-XUJVJEKNSA-N 2 1 294.399 -0.735 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911291707 657011896 /nfs/dbraw/zinc/01/18/96/657011896.db2.gz MYIAQJMJOPFKRP-YWPYICTPSA-N 2 1 296.415 -0.504 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000911288702 657012097 /nfs/dbraw/zinc/01/20/97/657012097.db2.gz UHVUPQCXLLKMMV-LBPRGKRZSA-N 2 1 282.388 -0.737 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000911288702 657012105 /nfs/dbraw/zinc/01/21/05/657012105.db2.gz UHVUPQCXLLKMMV-LBPRGKRZSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CCO)C2)O1 ZINC001007622125 657016345 /nfs/dbraw/zinc/01/63/45/657016345.db2.gz CROZRZNKESQEOS-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CCO)C2)O1 ZINC001007622125 657016350 /nfs/dbraw/zinc/01/63/50/657016350.db2.gz CROZRZNKESQEOS-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](CCO)C2)O1 ZINC001007622125 657016351 /nfs/dbraw/zinc/01/63/51/657016351.db2.gz CROZRZNKESQEOS-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](CCO)C2)O1 ZINC001007622125 657016354 /nfs/dbraw/zinc/01/63/54/657016354.db2.gz CROZRZNKESQEOS-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000911337803 657022417 /nfs/dbraw/zinc/02/24/17/657022417.db2.gz WVLKSEJFWXIIFY-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911338113 657022911 /nfs/dbraw/zinc/02/29/11/657022911.db2.gz XXFLAMIDRATPJY-VXGBXAGGSA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911337085 657023327 /nfs/dbraw/zinc/02/33/27/657023327.db2.gz PVJVCYXILLFBGI-SNVBAGLBSA-N 2 1 268.361 -0.806 20 0 CBADMP 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 657028986 /nfs/dbraw/zinc/02/89/86/657028986.db2.gz LFOICIHBLWUYMY-MROQNXINSA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001008278252 657036499 /nfs/dbraw/zinc/03/64/99/657036499.db2.gz BZAWTKNMVYJBPQ-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001008278252 657036501 /nfs/dbraw/zinc/03/65/01/657036501.db2.gz BZAWTKNMVYJBPQ-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001008278252 657036508 /nfs/dbraw/zinc/03/65/08/657036508.db2.gz BZAWTKNMVYJBPQ-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001008278252 657036517 /nfs/dbraw/zinc/03/65/17/657036517.db2.gz BZAWTKNMVYJBPQ-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911486281 657054822 /nfs/dbraw/zinc/05/48/22/657054822.db2.gz ADCAEVOVRBDHSP-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503962 657057206 /nfs/dbraw/zinc/05/72/06/657057206.db2.gz RPBHSLPTYZSGSS-NSHDSACASA-N 2 1 282.388 -0.465 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CC3)CC[C@H]21 ZINC000911504730 657058784 /nfs/dbraw/zinc/05/87/84/657058784.db2.gz NNLPHRYTCKUBEO-VXGBXAGGSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)[C@H](C)C1 ZINC000911505389 657059669 /nfs/dbraw/zinc/05/96/69/657059669.db2.gz BXVUNCOKRQTOOS-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CCC1(C)C ZINC000911507117 657061332 /nfs/dbraw/zinc/06/13/32/657061332.db2.gz WIIUDKVJSJEOJO-UHFFFAOYSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911531988 657069383 /nfs/dbraw/zinc/06/93/83/657069383.db2.gz IFUMAPWVMICVJQ-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000911534621 657069697 /nfs/dbraw/zinc/06/96/97/657069697.db2.gz VPNHPXBXPNVRGX-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911534777 657069964 /nfs/dbraw/zinc/06/99/64/657069964.db2.gz XFRZVTATDRQXFK-UHFFFAOYSA-N 2 1 284.404 -0.358 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911543672 657073301 /nfs/dbraw/zinc/07/33/01/657073301.db2.gz YXLJQCPRXPRMSY-NNYUYHANSA-N 2 1 280.372 -0.794 20 0 CBADMP 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 657075807 /nfs/dbraw/zinc/07/58/07/657075807.db2.gz LRRJHPOSZUWBKZ-FVCCEPFGSA-N 2 1 294.399 -0.452 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911556751 657077181 /nfs/dbraw/zinc/07/71/81/657077181.db2.gz LRMWNRVAZPQBPT-AVGNSLFASA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001009595523 657081903 /nfs/dbraw/zinc/08/19/03/657081903.db2.gz PKHPTUYETAOORU-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001009595523 657081908 /nfs/dbraw/zinc/08/19/08/657081908.db2.gz PKHPTUYETAOORU-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001009595523 657081917 /nfs/dbraw/zinc/08/19/17/657081917.db2.gz PKHPTUYETAOORU-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001009595523 657081925 /nfs/dbraw/zinc/08/19/25/657081925.db2.gz PKHPTUYETAOORU-CHWSQXEVSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001010383241 657171048 /nfs/dbraw/zinc/17/10/48/657171048.db2.gz SDZDFCFWMASSBR-CHWSQXEVSA-N 2 1 292.387 -0.437 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001010383241 657171053 /nfs/dbraw/zinc/17/10/53/657171053.db2.gz SDZDFCFWMASSBR-CHWSQXEVSA-N 2 1 292.387 -0.437 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001010383241 657171064 /nfs/dbraw/zinc/17/10/64/657171064.db2.gz SDZDFCFWMASSBR-CHWSQXEVSA-N 2 1 292.387 -0.437 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001010383241 657171069 /nfs/dbraw/zinc/17/10/69/657171069.db2.gz SDZDFCFWMASSBR-CHWSQXEVSA-N 2 1 292.387 -0.437 20 0 CBADMP COC(=O)CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000912303596 657228329 /nfs/dbraw/zinc/22/83/29/657228329.db2.gz LOWVCSJHLWWEMN-NSHDSACASA-N 2 1 273.377 -0.062 20 0 CBADMP COC(=O)CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000912303596 657228333 /nfs/dbraw/zinc/22/83/33/657228333.db2.gz LOWVCSJHLWWEMN-NSHDSACASA-N 2 1 273.377 -0.062 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](O)C(C)(C)O ZINC000912302377 657228719 /nfs/dbraw/zinc/22/87/19/657228719.db2.gz BUPLWPYCLNKMDI-RYUDHWBXSA-N 2 1 289.420 -0.494 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](O)C(C)(C)O ZINC000912302377 657228727 /nfs/dbraw/zinc/22/87/27/657228727.db2.gz BUPLWPYCLNKMDI-RYUDHWBXSA-N 2 1 289.420 -0.494 20 0 CBADMP C[C@H](CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[NH+](C)C ZINC000912387239 657245435 /nfs/dbraw/zinc/24/54/35/657245435.db2.gz AUJAONHPLOXKEO-MDZLAQPJSA-N 2 1 257.378 -0.102 20 0 CBADMP CN(CC1C[NH+](C)C1)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000912452836 657265846 /nfs/dbraw/zinc/26/58/46/657265846.db2.gz AZTKSSUHPPFRFU-YPMHNXCESA-N 2 1 255.362 -0.539 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)CCO)C1 ZINC000912606801 657296033 /nfs/dbraw/zinc/29/60/33/657296033.db2.gz XKTMXOFUTFZZKM-LBPRGKRZSA-N 2 1 273.377 -0.910 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)CCO)C1 ZINC000912606801 657296034 /nfs/dbraw/zinc/29/60/34/657296034.db2.gz XKTMXOFUTFZZKM-LBPRGKRZSA-N 2 1 273.377 -0.910 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)CC[N@H+](C)CCO)C1 ZINC000912606801 657296037 /nfs/dbraw/zinc/29/60/37/657296037.db2.gz XKTMXOFUTFZZKM-LBPRGKRZSA-N 2 1 273.377 -0.910 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N(C)CC[N@@H+](C)CCO)C1 ZINC000912606801 657296039 /nfs/dbraw/zinc/29/60/39/657296039.db2.gz XKTMXOFUTFZZKM-LBPRGKRZSA-N 2 1 273.377 -0.910 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCO)C2)CC[N@H+]1C ZINC001014484111 657362549 /nfs/dbraw/zinc/36/25/49/657362549.db2.gz OWFXBBUCJTWOFY-GRYCIOLGSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CCO)C2)CC[NH+]1C ZINC001014484111 657362552 /nfs/dbraw/zinc/36/25/52/657362552.db2.gz OWFXBBUCJTWOFY-GRYCIOLGSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001014484111 657362556 /nfs/dbraw/zinc/36/25/56/657362556.db2.gz OWFXBBUCJTWOFY-GRYCIOLGSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)O1 ZINC001014920264 657390669 /nfs/dbraw/zinc/39/06/69/657390669.db2.gz MJWZEYBVQGYHEM-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)O1 ZINC001014920264 657390662 /nfs/dbraw/zinc/39/06/62/657390662.db2.gz MJWZEYBVQGYHEM-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@H+](CCCO)C2)O1 ZINC001014920264 657390672 /nfs/dbraw/zinc/39/06/72/657390672.db2.gz MJWZEYBVQGYHEM-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@@H+](CCCO)C2)O1 ZINC001014920264 657390679 /nfs/dbraw/zinc/39/06/79/657390679.db2.gz MJWZEYBVQGYHEM-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001015295207 657431000 /nfs/dbraw/zinc/43/10/00/657431000.db2.gz QIKIOEFVGBWWIR-NWDGAFQWSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001015295207 657431006 /nfs/dbraw/zinc/43/10/06/657431006.db2.gz QIKIOEFVGBWWIR-NWDGAFQWSA-N 2 1 266.345 -0.237 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001015598599 657468512 /nfs/dbraw/zinc/46/85/12/657468512.db2.gz BHAKQGGXXWGTAP-STQMWFEESA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001015598599 657468533 /nfs/dbraw/zinc/46/85/33/657468533.db2.gz BHAKQGGXXWGTAP-STQMWFEESA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCO)C2)C1 ZINC001015598599 657468574 /nfs/dbraw/zinc/46/85/74/657468574.db2.gz BHAKQGGXXWGTAP-STQMWFEESA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001015598599 657468596 /nfs/dbraw/zinc/46/85/96/657468596.db2.gz BHAKQGGXXWGTAP-STQMWFEESA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)CC[N@H+]1C ZINC001015616936 657481442 /nfs/dbraw/zinc/48/14/42/657481442.db2.gz YJHSBPXHXVEGCF-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CCO)C2)CC[NH+]1C ZINC001015616936 657481449 /nfs/dbraw/zinc/48/14/49/657481449.db2.gz YJHSBPXHXVEGCF-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001015616936 657481458 /nfs/dbraw/zinc/48/14/58/657481458.db2.gz YJHSBPXHXVEGCF-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001015654635 657504778 /nfs/dbraw/zinc/50/47/78/657504778.db2.gz BSUPXJIAQLOQHH-ZDUSSCGKSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001015705082 657522782 /nfs/dbraw/zinc/52/27/82/657522782.db2.gz HTVMGUMVEPIJGZ-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCO)C2)C1 ZINC001015705082 657522787 /nfs/dbraw/zinc/52/27/87/657522787.db2.gz HTVMGUMVEPIJGZ-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001015705082 657522790 /nfs/dbraw/zinc/52/27/90/657522790.db2.gz HTVMGUMVEPIJGZ-NEPJUHHUSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC12CC[NH+](CC1)C2 ZINC000913631965 657570948 /nfs/dbraw/zinc/57/09/48/657570948.db2.gz KXNFJJXUUQWWOM-GFCCVEGCSA-N 2 1 267.373 -0.081 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016001761 657626429 /nfs/dbraw/zinc/62/64/29/657626429.db2.gz MOVMHFGMYZMHJQ-GFCCVEGCSA-N 2 1 294.399 -0.639 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016001761 657626438 /nfs/dbraw/zinc/62/64/38/657626438.db2.gz MOVMHFGMYZMHJQ-GFCCVEGCSA-N 2 1 294.399 -0.639 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015997878 657628353 /nfs/dbraw/zinc/62/83/53/657628353.db2.gz IMNFTPJGBZRMTP-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015997878 657628355 /nfs/dbraw/zinc/62/83/55/657628355.db2.gz IMNFTPJGBZRMTP-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015997878 657628364 /nfs/dbraw/zinc/62/83/64/657628364.db2.gz IMNFTPJGBZRMTP-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015997878 657628368 /nfs/dbraw/zinc/62/83/68/657628368.db2.gz IMNFTPJGBZRMTP-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015995445 657628744 /nfs/dbraw/zinc/62/87/44/657628744.db2.gz VILHSVJRPJPLJY-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015995445 657628749 /nfs/dbraw/zinc/62/87/49/657628749.db2.gz VILHSVJRPJPLJY-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015995445 657628754 /nfs/dbraw/zinc/62/87/54/657628754.db2.gz VILHSVJRPJPLJY-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015995445 657628759 /nfs/dbraw/zinc/62/87/59/657628759.db2.gz VILHSVJRPJPLJY-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCCO)C1)C12CC[NH+](CC1)C2 ZINC001016003872 657630117 /nfs/dbraw/zinc/63/01/17/657630117.db2.gz QNIYKLZJYCAAMP-LBPRGKRZSA-N 2 1 267.373 -0.345 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001016004086 657630333 /nfs/dbraw/zinc/63/03/33/657630333.db2.gz VPRASZSHWNXBFX-NSHDSACASA-N 2 1 253.346 -0.735 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1C ZINC000914176849 657667447 /nfs/dbraw/zinc/66/74/47/657667447.db2.gz ROHBJUGOAYKQJS-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000914176849 657667453 /nfs/dbraw/zinc/66/74/53/657667453.db2.gz ROHBJUGOAYKQJS-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000914176849 657667464 /nfs/dbraw/zinc/66/74/64/657667464.db2.gz ROHBJUGOAYKQJS-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001016263226 657675928 /nfs/dbraw/zinc/67/59/28/657675928.db2.gz WJCRXVVOYLPKGE-GFCCVEGCSA-N 2 1 255.362 -0.345 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001016255265 657676516 /nfs/dbraw/zinc/67/65/16/657676516.db2.gz LTKUHJWDIMVKNN-STQMWFEESA-N 2 1 294.399 -0.639 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001016255265 657676532 /nfs/dbraw/zinc/67/65/32/657676532.db2.gz LTKUHJWDIMVKNN-STQMWFEESA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC001016255265 657676547 /nfs/dbraw/zinc/67/65/47/657676547.db2.gz LTKUHJWDIMVKNN-STQMWFEESA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001016255265 657676553 /nfs/dbraw/zinc/67/65/53/657676553.db2.gz LTKUHJWDIMVKNN-STQMWFEESA-N 2 1 294.399 -0.639 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001016302505 657685842 /nfs/dbraw/zinc/68/58/42/657685842.db2.gz MURKYILAYAHKTE-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001016302505 657685863 /nfs/dbraw/zinc/68/58/63/657685863.db2.gz MURKYILAYAHKTE-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001016302505 657685873 /nfs/dbraw/zinc/68/58/73/657685873.db2.gz MURKYILAYAHKTE-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001016302505 657685881 /nfs/dbraw/zinc/68/58/81/657685881.db2.gz MURKYILAYAHKTE-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CCO)CC3)C1 ZINC001016553832 657720164 /nfs/dbraw/zinc/72/01/64/657720164.db2.gz TVWQJVQCLRKEQN-CHWSQXEVSA-N 2 1 297.399 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CCO)CC3)C1 ZINC001016553832 657720181 /nfs/dbraw/zinc/72/01/81/657720181.db2.gz TVWQJVQCLRKEQN-CHWSQXEVSA-N 2 1 297.399 -0.720 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000916332809 657770860 /nfs/dbraw/zinc/77/08/60/657770860.db2.gz ZKIGGXVOFBWXDG-NEPJUHHUSA-N 2 1 272.393 -0.044 20 0 CBADMP COCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000916332809 657770864 /nfs/dbraw/zinc/77/08/64/657770864.db2.gz ZKIGGXVOFBWXDG-NEPJUHHUSA-N 2 1 272.393 -0.044 20 0 CBADMP COCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000916332809 657770868 /nfs/dbraw/zinc/77/08/68/657770868.db2.gz ZKIGGXVOFBWXDG-NEPJUHHUSA-N 2 1 272.393 -0.044 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C ZINC000916331516 657770940 /nfs/dbraw/zinc/77/09/40/657770940.db2.gz OTBOKSCJUFDOAK-LLVKDONJSA-N 2 1 258.366 -0.432 20 0 CBADMP COCC[NH+](C)CCNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000916331516 657770948 /nfs/dbraw/zinc/77/09/48/657770948.db2.gz OTBOKSCJUFDOAK-LLVKDONJSA-N 2 1 258.366 -0.432 20 0 CBADMP COCC[NH+](C)CCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000916331516 657770954 /nfs/dbraw/zinc/77/09/54/657770954.db2.gz OTBOKSCJUFDOAK-LLVKDONJSA-N 2 1 258.366 -0.432 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000916841518 657789193 /nfs/dbraw/zinc/78/91/93/657789193.db2.gz GAHLLUYDGFFLFM-JHJVBQTASA-N 2 1 282.388 -0.147 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000916841518 657789198 /nfs/dbraw/zinc/78/91/98/657789198.db2.gz GAHLLUYDGFFLFM-JHJVBQTASA-N 2 1 282.388 -0.147 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000916841518 657789202 /nfs/dbraw/zinc/78/92/02/657789202.db2.gz GAHLLUYDGFFLFM-JHJVBQTASA-N 2 1 282.388 -0.147 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001018627526 657828301 /nfs/dbraw/zinc/82/83/01/657828301.db2.gz GYHYYLRLOSUQHL-WCQYABFASA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001018627526 657828308 /nfs/dbraw/zinc/82/83/08/657828308.db2.gz GYHYYLRLOSUQHL-WCQYABFASA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001018634001 657829759 /nfs/dbraw/zinc/82/97/59/657829759.db2.gz FBOSQGLOJDKJGI-WCQYABFASA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001018634001 657829762 /nfs/dbraw/zinc/82/97/62/657829762.db2.gz FBOSQGLOJDKJGI-WCQYABFASA-N 2 1 292.387 -0.400 20 0 CBADMP CC(C)[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001018664592 657836732 /nfs/dbraw/zinc/83/67/32/657836732.db2.gz GDZIYWKOCGVBNN-NWDGAFQWSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001018664592 657836733 /nfs/dbraw/zinc/83/67/33/657836733.db2.gz GDZIYWKOCGVBNN-NWDGAFQWSA-N 2 1 255.362 -0.084 20 0 CBADMP CCN1CCO[C@@H](CNC(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000919128297 657844526 /nfs/dbraw/zinc/84/45/26/657844526.db2.gz WAWNUXOQHNKLFV-RYUDHWBXSA-N 2 1 270.377 -0.290 20 0 CBADMP CCN1CCO[C@@H](CNC(=O)NC[C@@H]2CCN2C)C1 ZINC000919128297 657844527 /nfs/dbraw/zinc/84/45/27/657844527.db2.gz WAWNUXOQHNKLFV-RYUDHWBXSA-N 2 1 270.377 -0.290 20 0 CBADMP CCN1CCO[C@H](CNC(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000919128296 657844721 /nfs/dbraw/zinc/84/47/21/657844721.db2.gz WAWNUXOQHNKLFV-NWDGAFQWSA-N 2 1 270.377 -0.290 20 0 CBADMP CCN1CCO[C@H](CNC(=O)NC[C@@H]2CCN2C)C1 ZINC000919128296 657844725 /nfs/dbraw/zinc/84/47/25/657844725.db2.gz WAWNUXOQHNKLFV-NWDGAFQWSA-N 2 1 270.377 -0.290 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001018866120 657851229 /nfs/dbraw/zinc/85/12/29/657851229.db2.gz STKYATBMYVVNMG-OUAUKWLOSA-N 2 1 268.361 -0.998 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1)[NH+](C)C ZINC001019033245 657859154 /nfs/dbraw/zinc/85/91/54/657859154.db2.gz GCMOXRLAIPYQIA-NWDGAFQWSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001019241687 657875406 /nfs/dbraw/zinc/87/54/06/657875406.db2.gz UTRPUPJJVYBZKO-OUAUKWLOSA-N 2 1 268.361 -0.855 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019241577 657875817 /nfs/dbraw/zinc/87/58/17/657875817.db2.gz KVAPRZWVTHZNEK-QJPTWQEYSA-N 2 1 280.372 -0.840 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019261056 657876893 /nfs/dbraw/zinc/87/68/93/657876893.db2.gz GRWWAVIIZKDJGD-XQQFMLRXSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019381485 657891187 /nfs/dbraw/zinc/89/11/87/657891187.db2.gz KAPOTSCCTSQRFI-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019382412 657891311 /nfs/dbraw/zinc/89/13/11/657891311.db2.gz ANMTZCPELHPEKJ-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019381487 657891734 /nfs/dbraw/zinc/89/17/34/657891734.db2.gz KAPOTSCCTSQRFI-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019778240 657936696 /nfs/dbraw/zinc/93/66/96/657936696.db2.gz VNIZWNAVMCQWQH-NWDGAFQWSA-N 2 1 291.355 -0.729 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001020029082 657988682 /nfs/dbraw/zinc/98/86/82/657988682.db2.gz UCFOSCJQYJIXHC-KKOKHZNYSA-N 2 1 282.388 -0.419 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001020029079 657991032 /nfs/dbraw/zinc/99/10/32/657991032.db2.gz UCFOSCJQYJIXHC-BJDJZHNGSA-N 2 1 282.388 -0.419 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CC3)C2)C1 ZINC001020045709 657998174 /nfs/dbraw/zinc/99/81/74/657998174.db2.gz JEXTYDMEXIWVEY-AVGNSLFASA-N 2 1 267.373 -0.036 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CC3)C2)C1 ZINC001020045709 657998183 /nfs/dbraw/zinc/99/81/83/657998183.db2.gz JEXTYDMEXIWVEY-AVGNSLFASA-N 2 1 267.373 -0.036 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020144071 658017836 /nfs/dbraw/zinc/01/78/36/658017836.db2.gz PNXZGEMKLJLBTK-IJLUTSLNSA-N 2 1 282.388 -0.419 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001020302234 658034464 /nfs/dbraw/zinc/03/44/64/658034464.db2.gz IAOIWVBUCNDQOB-CYDGBPFRSA-N 2 1 296.415 -0.029 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020297736 658034671 /nfs/dbraw/zinc/03/46/71/658034671.db2.gz XTDKVLJFNOWJNS-IJLUTSLNSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001020297244 658034759 /nfs/dbraw/zinc/03/47/59/658034759.db2.gz DIVPEINEQVVBNN-FIQHERPVSA-N 2 1 282.388 -0.419 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001020396770 658047746 /nfs/dbraw/zinc/04/77/46/658047746.db2.gz ACKCBDQIBXVGIO-DCAQKATOSA-N 2 1 279.344 -0.698 20 0 CBADMP C[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1)C(N)=O ZINC001020589071 658075896 /nfs/dbraw/zinc/07/58/96/658075896.db2.gz WFBQWJIXQBHJQS-BJDJZHNGSA-N 2 1 282.388 -0.561 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)C(N)=O ZINC001020587855 658075995 /nfs/dbraw/zinc/07/59/95/658075995.db2.gz XIXZKVLBCXZPQZ-CYDGBPFRSA-N 2 1 296.415 -0.029 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)C(N)=O ZINC001020587857 658076813 /nfs/dbraw/zinc/07/68/13/658076813.db2.gz XIXZKVLBCXZPQZ-LPWJVIDDSA-N 2 1 296.415 -0.029 20 0 CBADMP C[NH+](C)C1(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000922982319 658117694 /nfs/dbraw/zinc/11/76/94/658117694.db2.gz AGBFORZCMUQXOG-NSHDSACASA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC1([NH+](C)C)CC1 ZINC000922989789 658120951 /nfs/dbraw/zinc/12/09/51/658120951.db2.gz AIXXMMLLELJIPD-LBPRGKRZSA-N 2 1 284.404 -0.211 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC1([NH+](C)C)CC1 ZINC000922989789 658120966 /nfs/dbraw/zinc/12/09/66/658120966.db2.gz AIXXMMLLELJIPD-LBPRGKRZSA-N 2 1 284.404 -0.211 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001021047564 658133208 /nfs/dbraw/zinc/13/32/08/658133208.db2.gz HUNMOOBDDCHNLQ-JHJVBQTASA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001021047460 658134672 /nfs/dbraw/zinc/13/46/72/658134672.db2.gz DPZISFOFMXPMKM-LPWJVIDDSA-N 2 1 294.399 -0.547 20 0 CBADMP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001021049091 658141451 /nfs/dbraw/zinc/14/14/51/658141451.db2.gz HJJZAOXJEHXOTB-SRVKXCTJSA-N 2 1 292.387 -0.198 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021049319 658143719 /nfs/dbraw/zinc/14/37/19/658143719.db2.gz MEJJGVAIJFVQHX-BJDJZHNGSA-N 2 1 255.362 -0.444 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001021080326 658145398 /nfs/dbraw/zinc/14/53/98/658145398.db2.gz MNGJVZNKCSBRBS-CYDGBPFRSA-N 2 1 285.388 -0.675 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)O)C2)C1 ZINC001021080326 658145406 /nfs/dbraw/zinc/14/54/06/658145406.db2.gz MNGJVZNKCSBRBS-CYDGBPFRSA-N 2 1 285.388 -0.675 20 0 CBADMP CC(C)COC[C@@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000923283523 658188104 /nfs/dbraw/zinc/18/81/04/658188104.db2.gz BDXRVQNOQANQJR-AWEZNQCLSA-N 2 1 273.421 -0.143 20 0 CBADMP COC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283771 658188232 /nfs/dbraw/zinc/18/82/32/658188232.db2.gz YDIGMANNUWMFFS-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP CN1CC(=O)N(CC[N@@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000923281975 658190753 /nfs/dbraw/zinc/19/07/53/658190753.db2.gz SJBALWRZEISSPT-JTQLQIEISA-N 2 1 254.334 -0.449 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000923281975 658190791 /nfs/dbraw/zinc/19/07/91/658190791.db2.gz SJBALWRZEISSPT-JTQLQIEISA-N 2 1 254.334 -0.449 20 0 CBADMP C[NH2+]C[C@H]1CCC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000923279199 658191679 /nfs/dbraw/zinc/19/16/79/658191679.db2.gz HREHRASDQCSQCA-LLVKDONJSA-N 2 1 268.361 -0.188 20 0 CBADMP C[NH2+]C[C@H]1CCC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000923279199 658191695 /nfs/dbraw/zinc/19/16/95/658191695.db2.gz HREHRASDQCSQCA-LLVKDONJSA-N 2 1 268.361 -0.188 20 0 CBADMP CCOCCOCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000923286598 658193868 /nfs/dbraw/zinc/19/38/68/658193868.db2.gz PFFAYEXZMZSDSE-UHFFFAOYSA-N 2 1 259.394 -0.124 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000923287715 658194447 /nfs/dbraw/zinc/19/44/47/658194447.db2.gz FIAJSASBTKMSQH-MNOVXSKESA-N 2 1 268.361 -0.060 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000923287717 658195293 /nfs/dbraw/zinc/19/52/93/658195293.db2.gz FIAJSASBTKMSQH-QWRGUYRKSA-N 2 1 268.361 -0.060 20 0 CBADMP CC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000923304117 658199598 /nfs/dbraw/zinc/19/95/98/658199598.db2.gz UBQQTWCKMOPRHZ-NEPJUHHUSA-N 2 1 288.413 -0.126 20 0 CBADMP CC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000923304117 658199609 /nfs/dbraw/zinc/19/96/09/658199609.db2.gz UBQQTWCKMOPRHZ-NEPJUHHUSA-N 2 1 288.413 -0.126 20 0 CBADMP NC(=O)[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299414 658200056 /nfs/dbraw/zinc/20/00/56/658200056.db2.gz UNCUJVFJRSZDMK-QWRGUYRKSA-N 2 1 253.346 -0.295 20 0 CBADMP CC(C)OCCOC[C@H](O)C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923308481 658202305 /nfs/dbraw/zinc/20/23/05/658202305.db2.gz JUTSGFQJACVGDU-CRWXNKLISA-N 2 1 290.404 -0.429 20 0 CBADMP CC(C)C[N@H+](CC(N)=O)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923305685 658204802 /nfs/dbraw/zinc/20/48/02/658204802.db2.gz MQASVHBGQCWGLV-NSHDSACASA-N 2 1 255.362 -0.192 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306187 658205098 /nfs/dbraw/zinc/20/50/98/658205098.db2.gz HXLFSJWJJAQANP-QWRGUYRKSA-N 2 1 253.346 -0.425 20 0 CBADMP CC1(C)C(=O)NCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923311453 658206270 /nfs/dbraw/zinc/20/62/70/658206270.db2.gz MQPVOFRBQKCHNO-SNVBAGLBSA-N 2 1 253.346 -0.425 20 0 CBADMP CC1(C)C(=O)NCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923311453 658206292 /nfs/dbraw/zinc/20/62/92/658206292.db2.gz MQPVOFRBQKCHNO-SNVBAGLBSA-N 2 1 253.346 -0.425 20 0 CBADMP c1cnn(C[C@H]2C[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CCO2)c1 ZINC000923323027 658209061 /nfs/dbraw/zinc/20/90/61/658209061.db2.gz OYKWDKIBDPZPFW-UONOGXRCSA-N 2 1 292.383 -0.038 20 0 CBADMP c1cnn(C[C@H]2C[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CCO2)c1 ZINC000923323027 658209076 /nfs/dbraw/zinc/20/90/76/658209076.db2.gz OYKWDKIBDPZPFW-UONOGXRCSA-N 2 1 292.383 -0.038 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](Cn3cncn3)C2)C1 ZINC000923321316 658209615 /nfs/dbraw/zinc/20/96/15/658209615.db2.gz FESUFZBDQAHSOI-CYDGBPFRSA-N 2 1 265.361 -0.159 20 0 CBADMP CN1CC(=O)N(CC[NH+]2CCC(C)([NH3+])CC2)C1=O ZINC000923347350 658221747 /nfs/dbraw/zinc/22/17/47/658221747.db2.gz YFGVOXHLCMJOPT-UHFFFAOYSA-N 2 1 254.334 -0.306 20 0 CBADMP CCOC[C@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923347192 658223083 /nfs/dbraw/zinc/22/30/83/658223083.db2.gz ZORDHYROHYQCIK-QWHCGFSZSA-N 2 1 287.404 -0.297 20 0 CBADMP Cc1cccc(OC[C@@H](O)C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000923367154 658233864 /nfs/dbraw/zinc/23/38/64/658233864.db2.gz SXSLDGULWBJXOJ-STQMWFEESA-N 2 1 268.357 -0.014 20 0 CBADMP Cc1cccc(OC[C@@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000923367154 658233888 /nfs/dbraw/zinc/23/38/88/658233888.db2.gz SXSLDGULWBJXOJ-STQMWFEESA-N 2 1 268.357 -0.014 20 0 CBADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H](O)COc1ccc(F)cc1 ZINC000923367111 658234067 /nfs/dbraw/zinc/23/40/67/658234067.db2.gz RZOXODRMJOTCPU-VXGBXAGGSA-N 2 1 272.320 -0.183 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H](O)COc1ccc(F)cc1 ZINC000923367111 658234093 /nfs/dbraw/zinc/23/40/93/658234093.db2.gz RZOXODRMJOTCPU-VXGBXAGGSA-N 2 1 272.320 -0.183 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000923363772 658234707 /nfs/dbraw/zinc/23/47/07/658234707.db2.gz FIRRGUBHOHRGRR-MJBXVCDLSA-N 2 1 271.405 -0.248 20 0 CBADMP C[N@@H+](CCN1CCOCC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923370875 658239452 /nfs/dbraw/zinc/23/94/52/658239452.db2.gz YXBWVDNHISPOHM-CYBMUJFWSA-N 2 1 269.389 -0.371 20 0 CBADMP COCC[NH2+]C1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000923387678 658249775 /nfs/dbraw/zinc/24/97/75/658249775.db2.gz JTARCIQLMDUPLB-CQSZACIVSA-N 2 1 282.388 -0.056 20 0 CBADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000923387380 658250005 /nfs/dbraw/zinc/25/00/05/658250005.db2.gz MSCMYZSHEBWTOR-FRRDWIJNSA-N 3 1 269.389 -0.340 20 0 CBADMP CCO[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000923387380 658250030 /nfs/dbraw/zinc/25/00/30/658250030.db2.gz MSCMYZSHEBWTOR-FRRDWIJNSA-N 2 1 269.389 -0.340 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000923396173 658252656 /nfs/dbraw/zinc/25/26/56/658252656.db2.gz VSCCWHRVVNAGJN-VOAKCMCISA-N 2 1 267.373 -0.219 20 0 CBADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923398022 658255099 /nfs/dbraw/zinc/25/50/99/658255099.db2.gz IOZKXHZXDSAZLE-YNEHKIRRSA-N 2 1 258.362 -0.177 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923398022 658255105 /nfs/dbraw/zinc/25/51/05/658255105.db2.gz IOZKXHZXDSAZLE-YNEHKIRRSA-N 2 1 258.362 -0.177 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923398019 658256551 /nfs/dbraw/zinc/25/65/51/658256551.db2.gz IOZKXHZXDSAZLE-JHJVBQTASA-N 2 1 258.362 -0.177 20 0 CBADMP COCCOC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923398019 658256521 /nfs/dbraw/zinc/25/65/21/658256521.db2.gz IOZKXHZXDSAZLE-JHJVBQTASA-N 2 1 258.362 -0.177 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000923400288 658258978 /nfs/dbraw/zinc/25/89/78/658258978.db2.gz XPFOWPQLUCFKEU-NSHDSACASA-N 2 1 256.350 -0.990 20 0 CBADMP OCC[NH2+][C@H]1CCCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000923408125 658263952 /nfs/dbraw/zinc/26/39/52/658263952.db2.gz CLIFRXIOJKBRQB-SOUVJXGZSA-N 2 1 283.416 -0.104 20 0 CBADMP OCC[NH2+][C@H]1CCCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000923408125 658263992 /nfs/dbraw/zinc/26/39/92/658263992.db2.gz CLIFRXIOJKBRQB-SOUVJXGZSA-N 2 1 283.416 -0.104 20 0 CBADMP CCOCC[C@H](O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000923413957 658271123 /nfs/dbraw/zinc/27/11/23/658271123.db2.gz SEOAHQQSYGFKHU-ZDUSSCGKSA-N 2 1 260.378 -0.180 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H](O)CSC)C2 ZINC000923428873 658274826 /nfs/dbraw/zinc/27/48/26/658274826.db2.gz MALKWYKVOSDZSP-WGBDABJCSA-N 2 1 288.413 -0.077 20 0 CBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923427954 658274972 /nfs/dbraw/zinc/27/49/72/658274972.db2.gz FSLNSRARIOQXNJ-NOHGZBONSA-N 2 1 272.345 -0.794 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H](N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC000923431322 658277894 /nfs/dbraw/zinc/27/78/94/658277894.db2.gz OMUOJYJMVWTUSQ-SLZITWOASA-N 3 1 294.443 -0.262 20 0 CBADMP CC(C)N1CCC[C@H](N2CC[NH2+]CC[NH2+]CC2)C1=O ZINC000923462551 658289611 /nfs/dbraw/zinc/28/96/11/658289611.db2.gz KPHKYLWQRZAOJM-ZDUSSCGKSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@H]1C[N@H+](Cc2nc(N)nc(N(C)C)n2)CC[C@H]1C[NH3+] ZINC000923496189 658306769 /nfs/dbraw/zinc/30/67/69/658306769.db2.gz GNXRCNULPFDWCA-UWVGGRQHSA-N 2 1 279.392 -0.064 20 0 CBADMP C[C@H]1C[N@@H+](Cc2nc(N)nc(N(C)C)n2)CC[C@H]1C[NH3+] ZINC000923496189 658306779 /nfs/dbraw/zinc/30/67/79/658306779.db2.gz GNXRCNULPFDWCA-UWVGGRQHSA-N 2 1 279.392 -0.064 20 0 CBADMP COC[C@H](C)OC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515832 658309407 /nfs/dbraw/zinc/30/94/07/658309407.db2.gz NZXJDVSKTGEGLA-IGQOVBAYSA-N 2 1 272.389 -0.060 20 0 CBADMP CN1CC(=O)N(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923515045 658310426 /nfs/dbraw/zinc/31/04/26/658310426.db2.gz BEKGKEYGTRBFIH-WDEREUQCSA-N 2 1 266.345 -0.578 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923515045 658310442 /nfs/dbraw/zinc/31/04/42/658310442.db2.gz BEKGKEYGTRBFIH-WDEREUQCSA-N 2 1 266.345 -0.578 20 0 CBADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515962 658312718 /nfs/dbraw/zinc/31/27/18/658312718.db2.gz PBVJGFGIIXVVGZ-XQQFMLRXSA-N 3 1 251.374 -0.094 20 0 CBADMP C[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)CC[C@@H]1C[NH3+] ZINC000923502567 658312271 /nfs/dbraw/zinc/31/22/71/658312271.db2.gz BVZDGFFXRICLHJ-VHSXEESVSA-N 2 1 268.361 -0.109 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519468 658312977 /nfs/dbraw/zinc/31/29/77/658312977.db2.gz DFQXXSUPGWUPAB-KXUCPTDWSA-N 2 1 254.334 -0.628 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519468 658312991 /nfs/dbraw/zinc/31/29/91/658312991.db2.gz DFQXXSUPGWUPAB-KXUCPTDWSA-N 2 1 254.334 -0.628 20 0 CBADMP COC[C@H]1COCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000923556311 658320745 /nfs/dbraw/zinc/32/07/45/658320745.db2.gz GEXAJFLKWJSHMC-LBPRGKRZSA-N 2 1 271.361 -0.845 20 0 CBADMP COC[C@H]1COCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000923556311 658320755 /nfs/dbraw/zinc/32/07/55/658320755.db2.gz GEXAJFLKWJSHMC-LBPRGKRZSA-N 2 1 271.361 -0.845 20 0 CBADMP C[C@H](CNS(=O)(=O)C1C[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000923589850 658340575 /nfs/dbraw/zinc/34/05/75/658340575.db2.gz MTCXKONPWYDWTQ-GHMZBOCLSA-N 2 1 275.418 -0.002 20 0 CBADMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923610713 658349925 /nfs/dbraw/zinc/34/99/25/658349925.db2.gz WAXRGBJHAAGKMS-VXGBXAGGSA-N 2 1 273.402 -0.153 20 0 CBADMP O=S(=O)(N1CC[NH2+]CC1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923668882 658389778 /nfs/dbraw/zinc/38/97/78/658389778.db2.gz OKJNBOQYHYIQKA-NEPJUHHUSA-N 2 1 288.417 -0.790 20 0 CBADMP O=S(=O)(N1CC[NH2+]CC1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923668884 658390628 /nfs/dbraw/zinc/39/06/28/658390628.db2.gz OKJNBOQYHYIQKA-RYUDHWBXSA-N 2 1 288.417 -0.790 20 0 CBADMP Cc1cccc(NCCNS(=O)(=O)C2C[NH2+]C2)[nH+]1 ZINC000923734905 658424578 /nfs/dbraw/zinc/42/45/78/658424578.db2.gz SPLGATQQRXUIEM-UHFFFAOYSA-N 2 1 270.358 -0.307 20 0 CBADMP C[NH+](C)C[C@H]1NC(=O)N(C[C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000924485683 658606922 /nfs/dbraw/zinc/60/69/22/658606922.db2.gz MIPWFKBODKXKSM-ZYHUDNBSSA-N 2 1 280.372 -0.047 20 0 CBADMP C[NH+](C)C[C@@H]1NC(=O)N(C[C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000924485681 658607324 /nfs/dbraw/zinc/60/73/24/658607324.db2.gz MIPWFKBODKXKSM-PWSUYJOCSA-N 2 1 280.372 -0.047 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000924946443 658667449 /nfs/dbraw/zinc/66/74/49/658667449.db2.gz SRFDIWWXRPONIX-LBPRGKRZSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H]1COC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000924945635 658670060 /nfs/dbraw/zinc/67/00/60/658670060.db2.gz JEKFRPYDKKLGSF-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000924975175 658676147 /nfs/dbraw/zinc/67/61/47/658676147.db2.gz RJZKYMUUAYRSQR-WDEREUQCSA-N 2 1 253.346 -0.737 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000924990488 658702501 /nfs/dbraw/zinc/70/25/01/658702501.db2.gz GVTKARSVFGUOBK-BZPMIXESSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@H]1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000924990488 658702509 /nfs/dbraw/zinc/70/25/09/658702509.db2.gz GVTKARSVFGUOBK-BZPMIXESSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@H]1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000924990488 658702523 /nfs/dbraw/zinc/70/25/23/658702523.db2.gz GVTKARSVFGUOBK-BZPMIXESSA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000924990695 658709218 /nfs/dbraw/zinc/70/92/18/658709218.db2.gz HJGVXWRTSHNGSX-VXGBXAGGSA-N 2 1 268.405 -0.264 20 0 CBADMP Cc1[nH+]ccn1CCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000925291389 658815172 /nfs/dbraw/zinc/81/51/72/658815172.db2.gz BUMRWIPGMRFQJK-JTQLQIEISA-N 2 1 265.317 -0.326 20 0 CBADMP C[NH+](C)C[C@H]1NC(=O)N([C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000925298804 658817648 /nfs/dbraw/zinc/81/76/48/658817648.db2.gz PWJFDYMOUDLOOE-NXEZZACHSA-N 2 1 254.334 -0.437 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[C@@H](O)C[NH+]2C)CC[N@H+]1C ZINC000925357666 658835576 /nfs/dbraw/zinc/83/55/76/658835576.db2.gz WYNRNWIAUNISPY-WRWGMCAJSA-N 2 1 270.377 -0.557 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2C)CC[NH+]1C ZINC000925357666 658835578 /nfs/dbraw/zinc/83/55/78/658835578.db2.gz WYNRNWIAUNISPY-WRWGMCAJSA-N 2 1 270.377 -0.557 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2C)CC[NH+]1C ZINC000925357666 658835581 /nfs/dbraw/zinc/83/55/81/658835581.db2.gz WYNRNWIAUNISPY-WRWGMCAJSA-N 2 1 270.377 -0.557 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1CC[NH+]1C ZINC000925415007 658841089 /nfs/dbraw/zinc/84/10/89/658841089.db2.gz QFRFYNQVAUAFDE-NSHDSACASA-N 2 1 258.366 -0.696 20 0 CBADMP CC[NH+](CCO)CCNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925415007 658841093 /nfs/dbraw/zinc/84/10/93/658841093.db2.gz QFRFYNQVAUAFDE-NSHDSACASA-N 2 1 258.366 -0.696 20 0 CBADMP CC[NH+](CCO)CCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925415007 658841097 /nfs/dbraw/zinc/84/10/97/658841097.db2.gz QFRFYNQVAUAFDE-NSHDSACASA-N 2 1 258.366 -0.696 20 0 CBADMP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)NC[C@H]1CC[N@H+]1C ZINC000925424825 658846699 /nfs/dbraw/zinc/84/66/99/658846699.db2.gz OFCVDIHUBHRFTC-JHJVBQTASA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC[C@H]1CC[NH+]1C ZINC000925424825 658846703 /nfs/dbraw/zinc/84/67/03/658846703.db2.gz OFCVDIHUBHRFTC-JHJVBQTASA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@H]1CC[NH+]1C ZINC000925424825 658846706 /nfs/dbraw/zinc/84/67/06/658846706.db2.gz OFCVDIHUBHRFTC-JHJVBQTASA-N 2 1 284.404 -0.213 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@H](O)C1 ZINC000925425122 658847076 /nfs/dbraw/zinc/84/70/76/658847076.db2.gz DFGRGQLTNFXVJO-FQUUOJAGSA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000925425122 658847082 /nfs/dbraw/zinc/84/70/82/658847082.db2.gz DFGRGQLTNFXVJO-FQUUOJAGSA-N 2 1 296.415 -0.023 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000925425122 658847085 /nfs/dbraw/zinc/84/70/85/658847085.db2.gz DFGRGQLTNFXVJO-FQUUOJAGSA-N 2 1 296.415 -0.023 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000925428669 658849155 /nfs/dbraw/zinc/84/91/55/658849155.db2.gz DISSLZPDOXFFTH-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000925428669 658849161 /nfs/dbraw/zinc/84/91/61/658849161.db2.gz DISSLZPDOXFFTH-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000925428669 658849164 /nfs/dbraw/zinc/84/91/64/658849164.db2.gz DISSLZPDOXFFTH-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000925429629 658850197 /nfs/dbraw/zinc/85/01/97/658850197.db2.gz PAKGPLYFHYWQJY-QWRGUYRKSA-N 2 1 256.350 -0.944 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000925429629 658850203 /nfs/dbraw/zinc/85/02/03/658850203.db2.gz PAKGPLYFHYWQJY-QWRGUYRKSA-N 2 1 256.350 -0.944 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000925429629 658850207 /nfs/dbraw/zinc/85/02/07/658850207.db2.gz PAKGPLYFHYWQJY-QWRGUYRKSA-N 2 1 256.350 -0.944 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962554962 658857139 /nfs/dbraw/zinc/85/71/39/658857139.db2.gz KUEPHWDNILKASG-NMKXLXIOSA-N 2 1 267.373 -0.491 20 0 CBADMP CN1CCC([N@@H+]2CC[C@@H](N[C@@H]3C[NH2+]CCOC3)C2)CC1 ZINC000925482157 658857151 /nfs/dbraw/zinc/85/71/51/658857151.db2.gz LWMQVUXTVAVUJW-ZIAGYGMSSA-N 2 1 282.432 -0.267 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](N[C@@H]3C[NH2+]CCOC3)C2)CC1 ZINC000925482157 658857155 /nfs/dbraw/zinc/85/71/55/658857155.db2.gz LWMQVUXTVAVUJW-ZIAGYGMSSA-N 2 1 282.432 -0.267 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925513564 658857283 /nfs/dbraw/zinc/85/72/83/658857283.db2.gz KBPZBPGJCIRRHH-KBPBESRZSA-N 2 1 271.405 -0.079 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC000962581153 658857820 /nfs/dbraw/zinc/85/78/20/658857820.db2.gz WORNPSJTRWTTDC-WUWHUORYSA-N 2 1 278.356 -0.381 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC000962581153 658857824 /nfs/dbraw/zinc/85/78/24/658857824.db2.gz WORNPSJTRWTTDC-WUWHUORYSA-N 2 1 278.356 -0.381 20 0 CBADMP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)Cn1ccnn1 ZINC000925685797 658865437 /nfs/dbraw/zinc/86/54/37/658865437.db2.gz NIOICCNUUHETON-MNOVXSKESA-N 2 1 251.334 -0.487 20 0 CBADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC(=O)N2CCNCC2)C1 ZINC000925694529 658866012 /nfs/dbraw/zinc/86/60/12/658866012.db2.gz UWNSWRLRFCDYGJ-VXGBXAGGSA-N 2 1 268.405 -0.086 20 0 CBADMP COC(=O)CCNC(=O)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925717085 658867140 /nfs/dbraw/zinc/86/71/40/658867140.db2.gz IMLARBUGGLEWCM-GLRJYAJPSA-N 2 1 295.383 -0.358 20 0 CBADMP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925725516 658868868 /nfs/dbraw/zinc/86/88/68/658868868.db2.gz LMOVHQSQFVNTAA-XWLWVQCSSA-N 2 1 283.372 -0.088 20 0 CBADMP C[C@H](N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C1C[NH2+]C1 ZINC000925771420 658870522 /nfs/dbraw/zinc/87/05/22/658870522.db2.gz YBNGRWSRIPDJER-HOCLYGCPSA-N 2 1 296.459 -0.020 20 0 CBADMP C[C@H](N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1C[NH2+]C1 ZINC000925771420 658870524 /nfs/dbraw/zinc/87/05/24/658870524.db2.gz YBNGRWSRIPDJER-HOCLYGCPSA-N 2 1 296.459 -0.020 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C[C@H]1[NH3+] ZINC000926311776 658892131 /nfs/dbraw/zinc/89/21/31/658892131.db2.gz GPWCBQCCVZQFTE-JHJVBQTASA-N 2 1 296.415 -0.408 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CCC[NH3+] ZINC000926441997 658899800 /nfs/dbraw/zinc/89/98/00/658899800.db2.gz FQLDJDFBQRFQEZ-ZDUSSCGKSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CCC[NH3+] ZINC000926441997 658899803 /nfs/dbraw/zinc/89/98/03/658899803.db2.gz FQLDJDFBQRFQEZ-ZDUSSCGKSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968549654 658931494 /nfs/dbraw/zinc/93/14/94/658931494.db2.gz VMQBPKMBGOGHRC-CHWSQXEVSA-N 2 1 281.400 -0.099 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)CC[N@H+]1C ZINC000968728311 658941242 /nfs/dbraw/zinc/94/12/42/658941242.db2.gz HZWBODGWRQKHDB-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCF)C2)O1 ZINC000969072023 658951819 /nfs/dbraw/zinc/95/18/19/658951819.db2.gz RUJGSJMHARWBDU-IJLUTSLNSA-N 2 1 273.352 -0.135 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCF)C2)O1 ZINC000969072023 658951822 /nfs/dbraw/zinc/95/18/22/658951822.db2.gz RUJGSJMHARWBDU-IJLUTSLNSA-N 2 1 273.352 -0.135 20 0 CBADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC000969588814 659005785 /nfs/dbraw/zinc/00/57/85/659005785.db2.gz UTRPUPJJVYBZKO-GMTAPVOTSA-N 2 1 268.361 -0.855 20 0 CBADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC000969627008 659009991 /nfs/dbraw/zinc/00/99/91/659009991.db2.gz MDACAZGGPPBLMV-TUAOUCFPSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@H+]1C ZINC000928441913 659020117 /nfs/dbraw/zinc/02/01/17/659020117.db2.gz PXQRHDWAZWZOEQ-JHJVBQTASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1C ZINC000928441913 659020121 /nfs/dbraw/zinc/02/01/21/659020121.db2.gz PXQRHDWAZWZOEQ-JHJVBQTASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC[NH+]1C ZINC000928441913 659020126 /nfs/dbraw/zinc/02/01/26/659020126.db2.gz PXQRHDWAZWZOEQ-JHJVBQTASA-N 2 1 266.389 -0.415 20 0 CBADMP CC[NH+]1CCN(CCC(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000928563872 659043816 /nfs/dbraw/zinc/04/38/16/659043816.db2.gz OMSBMIPQHJJWPU-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000970367178 659051988 /nfs/dbraw/zinc/05/19/88/659051988.db2.gz PCOMYQDCMVPPTR-GHMZBOCLSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCO)C1 ZINC000970879353 659073502 /nfs/dbraw/zinc/07/35/02/659073502.db2.gz VTBDXHNHJFXGDK-QWRGUYRKSA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970868936 659074567 /nfs/dbraw/zinc/07/45/67/659074567.db2.gz OIFAGZVHEBKQRK-VXGBXAGGSA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970868936 659074570 /nfs/dbraw/zinc/07/45/70/659074570.db2.gz OIFAGZVHEBKQRK-VXGBXAGGSA-N 2 1 296.415 -0.537 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971201081 659083744 /nfs/dbraw/zinc/08/37/44/659083744.db2.gz LJKQIVIVBBBZCX-NWDGAFQWSA-N 2 1 255.362 -0.394 20 0 CBADMP C[NH+](CCO)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000971201081 659083751 /nfs/dbraw/zinc/08/37/51/659083751.db2.gz LJKQIVIVBBBZCX-NWDGAFQWSA-N 2 1 255.362 -0.394 20 0 CBADMP C[NH+](CCO)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000971201081 659083757 /nfs/dbraw/zinc/08/37/57/659083757.db2.gz LJKQIVIVBBBZCX-NWDGAFQWSA-N 2 1 255.362 -0.394 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000971673549 659096086 /nfs/dbraw/zinc/09/60/86/659096086.db2.gz HHJMSWVMBIXQAN-NWDGAFQWSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCO)C2)O1 ZINC000971782289 659098137 /nfs/dbraw/zinc/09/81/37/659098137.db2.gz RTYKKSHSUPKQBZ-FRRDWIJNSA-N 2 1 285.388 -0.770 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCO)C2)O1 ZINC000971782289 659098143 /nfs/dbraw/zinc/09/81/43/659098143.db2.gz RTYKKSHSUPKQBZ-FRRDWIJNSA-N 2 1 285.388 -0.770 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CCO)C2)O1 ZINC000971782289 659098149 /nfs/dbraw/zinc/09/81/49/659098149.db2.gz RTYKKSHSUPKQBZ-FRRDWIJNSA-N 2 1 285.388 -0.770 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)O1 ZINC000971782289 659098154 /nfs/dbraw/zinc/09/81/54/659098154.db2.gz RTYKKSHSUPKQBZ-FRRDWIJNSA-N 2 1 285.388 -0.770 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CCC[C@H](O)C1)[NH+]1CCC[C@H](O)C1 ZINC000929215794 659100774 /nfs/dbraw/zinc/10/07/74/659100774.db2.gz RXOGTFAMVCKZHO-RDBSUJKOSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CCC[C@H](O)C1)[NH+]1CCC[C@H](O)C1 ZINC000929215794 659100781 /nfs/dbraw/zinc/10/07/81/659100781.db2.gz RXOGTFAMVCKZHO-RDBSUJKOSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCC[C@H](O)C1)[N@@H+]1CCC[C@H](O)C1 ZINC000929215794 659100797 /nfs/dbraw/zinc/10/07/97/659100797.db2.gz RXOGTFAMVCKZHO-RDBSUJKOSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCC[C@H](O)C1)[N@H+]1CCC[C@H](O)C1 ZINC000929215794 659100801 /nfs/dbraw/zinc/10/08/01/659100801.db2.gz RXOGTFAMVCKZHO-RDBSUJKOSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972231494 659110631 /nfs/dbraw/zinc/11/06/31/659110631.db2.gz GEYNNQWZEVVCPW-AAEUAGOBSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000929405755 659122381 /nfs/dbraw/zinc/12/23/81/659122381.db2.gz VOOMDSGAXNVATK-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000929405755 659122392 /nfs/dbraw/zinc/12/23/92/659122392.db2.gz VOOMDSGAXNVATK-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CO[C@@H]1CC[NH+]([C@@H](C)CNC(=O)C[N@H+]2CC[C@@H](OC)C2)C1 ZINC000929791040 659171438 /nfs/dbraw/zinc/17/14/38/659171438.db2.gz AENMHUGCYHMADK-BFHYXJOUSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H]1CC[NH+]([C@@H](C)CNC(=O)C[N@@H+]2CC[C@@H](OC)C2)C1 ZINC000929791040 659171446 /nfs/dbraw/zinc/17/14/46/659171446.db2.gz AENMHUGCYHMADK-BFHYXJOUSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H]1CC[NH+](CC(=O)NC[C@H](C)[N@@H+]2CC[C@@H](OC)C2)C1 ZINC000929791040 659171451 /nfs/dbraw/zinc/17/14/51/659171451.db2.gz AENMHUGCYHMADK-BFHYXJOUSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H]1CC[NH+](CC(=O)NC[C@H](C)[N@H+]2CC[C@@H](OC)C2)C1 ZINC000929791040 659171455 /nfs/dbraw/zinc/17/14/55/659171455.db2.gz AENMHUGCYHMADK-BFHYXJOUSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@@](C)(O)C1)[NH+]1CC[C@](C)(O)C1 ZINC000929790266 659171880 /nfs/dbraw/zinc/17/18/80/659171880.db2.gz WJCYNGQBGMRUFO-YUELXQCFSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@](C)(O)C1)[NH+]1CC[C@](C)(O)C1 ZINC000929790266 659171882 /nfs/dbraw/zinc/17/18/82/659171882.db2.gz WJCYNGQBGMRUFO-YUELXQCFSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@@](C)(O)C1)[N@@H+]1CC[C@](C)(O)C1 ZINC000929790266 659171886 /nfs/dbraw/zinc/17/18/86/659171886.db2.gz WJCYNGQBGMRUFO-YUELXQCFSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CC[C@@](C)(O)C1)[N@H+]1CC[C@](C)(O)C1 ZINC000929790266 659171889 /nfs/dbraw/zinc/17/18/89/659171889.db2.gz WJCYNGQBGMRUFO-YUELXQCFSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)CO)CC2)CC1 ZINC000929971880 659189823 /nfs/dbraw/zinc/18/98/23/659189823.db2.gz NVRUWLQKMJZUBI-CQSZACIVSA-N 2 1 299.415 -0.784 20 0 CBADMP 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 659212455 /nfs/dbraw/zinc/21/24/55/659212455.db2.gz JZCIIPWWDWZLBS-KSTCHIGDSA-N 2 1 281.400 -0.387 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CC[NH+]1C ZINC000978154269 659212458 /nfs/dbraw/zinc/21/24/58/659212458.db2.gz JZCIIPWWDWZLBS-KSTCHIGDSA-N 2 1 281.400 -0.387 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CC[NH+]1C ZINC000978154269 659212462 /nfs/dbraw/zinc/21/24/62/659212462.db2.gz JZCIIPWWDWZLBS-KSTCHIGDSA-N 2 1 281.400 -0.387 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405186 659271125 /nfs/dbraw/zinc/27/11/25/659271125.db2.gz GYNSZPIBYGGMGJ-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000980893887 659299972 /nfs/dbraw/zinc/29/99/72/659299972.db2.gz QNEAFWXMAVGKTM-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000981525791 659320373 /nfs/dbraw/zinc/32/03/73/659320373.db2.gz ZTKCFELOFPOGOE-NEPJUHHUSA-N 2 1 293.371 -0.306 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[NH+](CCO)CC1 ZINC000981953218 659336859 /nfs/dbraw/zinc/33/68/59/659336859.db2.gz JNMUEWMMQGRETE-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[N@H+](CCO)CC1 ZINC000981953218 659336862 /nfs/dbraw/zinc/33/68/62/659336862.db2.gz JNMUEWMMQGRETE-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[N@@H+](CCO)CC1 ZINC000981953218 659336869 /nfs/dbraw/zinc/33/68/69/659336869.db2.gz JNMUEWMMQGRETE-CYBMUJFWSA-N 2 1 269.389 -0.003 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982220939 659343033 /nfs/dbraw/zinc/34/30/33/659343033.db2.gz CHXJBGJQYUCHDQ-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP C[C@@H](O)C[N@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982220939 659343042 /nfs/dbraw/zinc/34/30/42/659343042.db2.gz CHXJBGJQYUCHDQ-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP C[C@H](O)[C@H](O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000931076408 659382557 /nfs/dbraw/zinc/38/25/57/659382557.db2.gz RBUMOGLITKCSGF-YNEHKIRRSA-N 2 1 260.378 -0.229 20 0 CBADMP C[C@H](O)[C@H](O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000931076408 659382562 /nfs/dbraw/zinc/38/25/62/659382562.db2.gz RBUMOGLITKCSGF-YNEHKIRRSA-N 2 1 260.378 -0.229 20 0 CBADMP C[C@H]1C[N@@H+](C[C@@H](O)CO)CCN1c1cc[nH+]cc1 ZINC000931683447 659510195 /nfs/dbraw/zinc/51/01/95/659510195.db2.gz IPJMXNBENCQRCH-WCQYABFASA-N 2 1 251.330 -0.055 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@H](O)CO)CCN1c1cc[nH+]cc1 ZINC000931683448 659510749 /nfs/dbraw/zinc/51/07/49/659510749.db2.gz IPJMXNBENCQRCH-YPMHNXCESA-N 2 1 251.330 -0.055 20 0 CBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931874637 659533876 /nfs/dbraw/zinc/53/38/76/659533876.db2.gz MNKSPSQTHFREHO-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931874637 659533887 /nfs/dbraw/zinc/53/38/87/659533887.db2.gz MNKSPSQTHFREHO-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000931874618 659534591 /nfs/dbraw/zinc/53/45/91/659534591.db2.gz JGVGGMDAQURHGG-CHWSQXEVSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000931874618 659534600 /nfs/dbraw/zinc/53/46/00/659534600.db2.gz JGVGGMDAQURHGG-CHWSQXEVSA-N 2 1 294.399 -0.497 20 0 CBADMP CN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000931874746 659535224 /nfs/dbraw/zinc/53/52/24/659535224.db2.gz POTKUUYAXZGFDH-OLZOCXBDSA-N 2 1 294.399 -0.498 20 0 CBADMP CN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000931874746 659535244 /nfs/dbraw/zinc/53/52/44/659535244.db2.gz POTKUUYAXZGFDH-OLZOCXBDSA-N 2 1 294.399 -0.498 20 0 CBADMP CN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[C@H]1CC[NH+](C2CC2)C1 ZINC000931874746 659535266 /nfs/dbraw/zinc/53/52/66/659535266.db2.gz POTKUUYAXZGFDH-OLZOCXBDSA-N 2 1 294.399 -0.498 20 0 CBADMP CN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C)[C@H]1CC[NH+](C2CC2)C1 ZINC000931874746 659535283 /nfs/dbraw/zinc/53/52/83/659535283.db2.gz POTKUUYAXZGFDH-OLZOCXBDSA-N 2 1 294.399 -0.498 20 0 CBADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931874642 659536434 /nfs/dbraw/zinc/53/64/34/659536434.db2.gz MNKSPSQTHFREHO-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931874642 659536443 /nfs/dbraw/zinc/53/64/43/659536443.db2.gz MNKSPSQTHFREHO-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931872519 659536927 /nfs/dbraw/zinc/53/69/27/659536927.db2.gz NDCZZFHENLTLSJ-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931872519 659536930 /nfs/dbraw/zinc/53/69/30/659536930.db2.gz NDCZZFHENLTLSJ-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000931874621 659537046 /nfs/dbraw/zinc/53/70/46/659537046.db2.gz JGVGGMDAQURHGG-QWHCGFSZSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000931874621 659537052 /nfs/dbraw/zinc/53/70/52/659537052.db2.gz JGVGGMDAQURHGG-QWHCGFSZSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000931878642 659539550 /nfs/dbraw/zinc/53/95/50/659539550.db2.gz RQALFPWPBWGMMC-UPJWGTAASA-N 2 1 294.399 -0.498 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000931878642 659539553 /nfs/dbraw/zinc/53/95/53/659539553.db2.gz RQALFPWPBWGMMC-UPJWGTAASA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000931878642 659539555 /nfs/dbraw/zinc/53/95/55/659539555.db2.gz RQALFPWPBWGMMC-UPJWGTAASA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000931878642 659539558 /nfs/dbraw/zinc/53/95/58/659539558.db2.gz RQALFPWPBWGMMC-UPJWGTAASA-N 2 1 294.399 -0.498 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC[N@@H+]1C ZINC000931880009 659541099 /nfs/dbraw/zinc/54/10/99/659541099.db2.gz ZIQVHAWOWRZDQG-UPJWGTAASA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC[N@H+]1C ZINC000931880009 659541108 /nfs/dbraw/zinc/54/11/08/659541108.db2.gz ZIQVHAWOWRZDQG-UPJWGTAASA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC[NH+]1C ZINC000931880009 659541113 /nfs/dbraw/zinc/54/11/13/659541113.db2.gz ZIQVHAWOWRZDQG-UPJWGTAASA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC[NH+]1C ZINC000931880009 659541120 /nfs/dbraw/zinc/54/11/20/659541120.db2.gz ZIQVHAWOWRZDQG-UPJWGTAASA-N 2 1 296.415 -0.252 20 0 CBADMP CCCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@@H]1CC[N@H+](C)C1 ZINC000931887866 659555426 /nfs/dbraw/zinc/55/54/26/659555426.db2.gz XZDNXOFLRFJGBZ-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@@H]1CC[N@@H+](C)C1 ZINC000931887866 659555435 /nfs/dbraw/zinc/55/54/35/659555435.db2.gz XZDNXOFLRFJGBZ-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000931887866 659555442 /nfs/dbraw/zinc/55/54/42/659555442.db2.gz XZDNXOFLRFJGBZ-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCCN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000931887866 659555449 /nfs/dbraw/zinc/55/54/49/659555449.db2.gz XZDNXOFLRFJGBZ-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931888072 659555726 /nfs/dbraw/zinc/55/57/26/659555726.db2.gz ZFAKJZKMTYIVRD-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931888072 659555730 /nfs/dbraw/zinc/55/57/30/659555730.db2.gz ZFAKJZKMTYIVRD-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931888072 659555732 /nfs/dbraw/zinc/55/57/32/659555732.db2.gz ZFAKJZKMTYIVRD-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931888072 659555737 /nfs/dbraw/zinc/55/57/37/659555737.db2.gz ZFAKJZKMTYIVRD-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000989449905 659587677 /nfs/dbraw/zinc/58/76/77/659587677.db2.gz LBIUKKFMKVOCRY-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000989449907 659588435 /nfs/dbraw/zinc/58/84/35/659588435.db2.gz LBIUKKFMKVOCRY-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](O)C[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989669679 659606803 /nfs/dbraw/zinc/60/68/03/659606803.db2.gz GJJKZRQJWGMKIO-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000990275944 659710895 /nfs/dbraw/zinc/71/08/95/659710895.db2.gz FNYUMRKERIDVJK-OLZOCXBDSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)C[C@@]3(O)CCOC3)C[C@]2(C)C1 ZINC000933735304 659734838 /nfs/dbraw/zinc/73/48/38/659734838.db2.gz VCMKYLLNTYKFNL-QPSCCSFWSA-N 2 1 284.400 -0.228 20 0 CBADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)C[C@@]3(O)CCOC3)C[C@]2(C)C1 ZINC000933735304 659734845 /nfs/dbraw/zinc/73/48/45/659734845.db2.gz VCMKYLLNTYKFNL-QPSCCSFWSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)C[C@@]3(O)CCOC3)C[C@]2(C)C1 ZINC000933735304 659734846 /nfs/dbraw/zinc/73/48/46/659734846.db2.gz VCMKYLLNTYKFNL-QPSCCSFWSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)C[C@@]3(O)CCOC3)C[C@]2(C)C1 ZINC000933735304 659734851 /nfs/dbraw/zinc/73/48/51/659734851.db2.gz VCMKYLLNTYKFNL-QPSCCSFWSA-N 2 1 284.400 -0.228 20 0 CBADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000933737897 659734973 /nfs/dbraw/zinc/73/49/73/659734973.db2.gz VBYFZNCPWBBOEH-NRUUGDAUSA-N 2 1 251.330 -0.325 20 0 CBADMP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000933737897 659734979 /nfs/dbraw/zinc/73/49/79/659734979.db2.gz VBYFZNCPWBBOEH-NRUUGDAUSA-N 2 1 251.330 -0.325 20 0 CBADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000933737897 659734982 /nfs/dbraw/zinc/73/49/82/659734982.db2.gz VBYFZNCPWBBOEH-NRUUGDAUSA-N 2 1 251.330 -0.325 20 0 CBADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000933737897 659734987 /nfs/dbraw/zinc/73/49/87/659734987.db2.gz VBYFZNCPWBBOEH-NRUUGDAUSA-N 2 1 251.330 -0.325 20 0 CBADMP COC(=O)CNC(=O)CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743034 659736390 /nfs/dbraw/zinc/73/63/90/659736390.db2.gz UWYRTRVTFSYDDC-SMDDNHRTSA-N 2 1 283.372 -0.451 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933743034 659736395 /nfs/dbraw/zinc/73/63/95/659736395.db2.gz UWYRTRVTFSYDDC-SMDDNHRTSA-N 2 1 283.372 -0.451 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933743034 659736401 /nfs/dbraw/zinc/73/64/01/659736401.db2.gz UWYRTRVTFSYDDC-SMDDNHRTSA-N 2 1 283.372 -0.451 20 0 CBADMP CCN(C)C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754513 659736621 /nfs/dbraw/zinc/73/66/21/659736621.db2.gz CHUALOKLRDSDQS-SCRDCRAPSA-N 2 1 269.389 -0.114 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754513 659736626 /nfs/dbraw/zinc/73/66/26/659736626.db2.gz CHUALOKLRDSDQS-SCRDCRAPSA-N 2 1 269.389 -0.114 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754513 659736637 /nfs/dbraw/zinc/73/66/37/659736637.db2.gz CHUALOKLRDSDQS-SCRDCRAPSA-N 2 1 269.389 -0.114 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754513 659736643 /nfs/dbraw/zinc/73/66/43/659736643.db2.gz CHUALOKLRDSDQS-SCRDCRAPSA-N 2 1 269.389 -0.114 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754513 659736648 /nfs/dbraw/zinc/73/66/48/659736648.db2.gz CHUALOKLRDSDQS-SCRDCRAPSA-N 2 1 269.389 -0.114 20 0 CBADMP CN1CCN(C[C@@H](O)C[NH+]2CCCC2)CC[N@@H+](C)CC1 ZINC000933998571 659757014 /nfs/dbraw/zinc/75/70/14/659757014.db2.gz JXVFXNCYBHFMLL-HNNXBMFYSA-N 2 1 284.448 -0.378 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000991710327 659841833 /nfs/dbraw/zinc/84/18/33/659841833.db2.gz MNGJDSXYCDLZFU-DGCLKSJQSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000991710327 659841834 /nfs/dbraw/zinc/84/18/34/659841834.db2.gz MNGJDSXYCDLZFU-DGCLKSJQSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000991710327 659841835 /nfs/dbraw/zinc/84/18/35/659841835.db2.gz MNGJDSXYCDLZFU-DGCLKSJQSA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC000991749276 659844232 /nfs/dbraw/zinc/84/42/32/659844232.db2.gz QMJJTUIEUZLBRM-ZDUSSCGKSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000991750956 659844290 /nfs/dbraw/zinc/84/42/90/659844290.db2.gz XTNISGKNKZGNJK-LBPRGKRZSA-N 2 1 294.399 -0.639 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995551469 659901917 /nfs/dbraw/zinc/90/19/17/659901917.db2.gz NEQYWHPDPBPILM-GHMZBOCLSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995986586 659921415 /nfs/dbraw/zinc/92/14/15/659921415.db2.gz YXWDXHDIFHWHQU-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC(N)=O ZINC000947936259 659962943 /nfs/dbraw/zinc/96/29/43/659962943.db2.gz UCJXLDCJIBFYFV-NEPJUHHUSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(N)=O ZINC000947936259 659962948 /nfs/dbraw/zinc/96/29/48/659962948.db2.gz UCJXLDCJIBFYFV-NEPJUHHUSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC(N)=O ZINC000947936262 659963036 /nfs/dbraw/zinc/96/30/36/659963036.db2.gz UCJXLDCJIBFYFV-VXGBXAGGSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(N)=O ZINC000947936262 659963037 /nfs/dbraw/zinc/96/30/37/659963037.db2.gz UCJXLDCJIBFYFV-VXGBXAGGSA-N 2 1 294.399 -0.463 20 0 CBADMP C[NH+]1CCN(c2nccc(N3C[C@H]4C[C@@]4([NH3+])C3)n2)CC1 ZINC001164419696 718888552 /nfs/dbraw/zinc/88/85/52/718888552.db2.gz QWKKWEQGLMEFAS-BXUZGUMPSA-N 2 1 274.372 -0.234 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC001076569056 805580288 /nfs/dbraw/zinc/58/02/88/805580288.db2.gz ICJOFLJVXXKJLU-MELADBBJSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC001076569056 805580293 /nfs/dbraw/zinc/58/02/93/805580293.db2.gz ICJOFLJVXXKJLU-MELADBBJSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC001076569056 805580301 /nfs/dbraw/zinc/58/03/01/805580301.db2.gz ICJOFLJVXXKJLU-MELADBBJSA-N 2 1 281.400 -0.147 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000089699259 790369929 /nfs/dbraw/zinc/36/99/29/790369929.db2.gz DATXBQLJUKALEN-JTQLQIEISA-N 2 1 266.349 -0.692 20 0 CBADMP CN1CC[NH+](CCCNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000091310429 790371771 /nfs/dbraw/zinc/37/17/71/790371771.db2.gz FWRWRIHJSKCVKZ-ZDUSSCGKSA-N 2 1 284.404 -0.881 20 0 CBADMP CC(C)(C)[C@H]([NH3+])CC(=O)N1CC[NH+](CCO)CC1 ZINC000136804963 790394661 /nfs/dbraw/zinc/39/46/61/790394661.db2.gz AZBIWJXYIZSKLJ-LLVKDONJSA-N 2 1 257.378 -0.114 20 0 CBADMP C[NH+](C)C1CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000382357061 790526542 /nfs/dbraw/zinc/52/65/42/790526542.db2.gz SXCIXUUJGVWUSF-UHFFFAOYSA-N 2 1 261.391 -0.438 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000383508002 790528812 /nfs/dbraw/zinc/52/88/12/790528812.db2.gz CQNHFWZBIKKYIB-GFCCVEGCSA-N 2 1 282.388 -0.560 20 0 CBADMP CN(C)S(=O)(=O)CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000385207882 790539318 /nfs/dbraw/zinc/53/93/18/790539318.db2.gz WYZAYSUNLLSOPM-UHFFFAOYSA-N 2 1 275.418 -0.047 20 0 CBADMP C[NH2+]C1CCN(C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000385251257 790539391 /nfs/dbraw/zinc/53/93/91/790539391.db2.gz QYQVJUJGQGTKJA-CYBMUJFWSA-N 2 1 259.394 -0.391 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC000386282326 790546484 /nfs/dbraw/zinc/54/64/84/790546484.db2.gz FUFAORJZJPQTMO-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP CCN(C[C@@H](O)C[N@@H+](C)CCOC)[C@@H]1CC[NH2+]C1 ZINC000386479996 790547408 /nfs/dbraw/zinc/54/74/08/790547408.db2.gz VXAUFNSPTZRPPM-OLZOCXBDSA-N 2 1 259.394 -0.391 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000388803352 790558409 /nfs/dbraw/zinc/55/84/09/790558409.db2.gz UJOPYUMRQUJQOS-ZIAGYGMSSA-N 2 1 273.421 -0.014 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000388877077 790559544 /nfs/dbraw/zinc/55/95/44/790559544.db2.gz RRDXHTRPCITSCI-MCIONIFRSA-N 3 1 273.421 -0.158 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000388877077 790559551 /nfs/dbraw/zinc/55/95/51/790559551.db2.gz RRDXHTRPCITSCI-MCIONIFRSA-N 2 1 273.421 -0.158 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000388877077 790559557 /nfs/dbraw/zinc/55/95/57/790559557.db2.gz RRDXHTRPCITSCI-MCIONIFRSA-N 2 1 273.421 -0.158 20 0 CBADMP Cn1ncc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000389111373 790561304 /nfs/dbraw/zinc/56/13/04/790561304.db2.gz PXMRUAYEEBISMM-JTQLQIEISA-N 2 1 266.349 -0.898 20 0 CBADMP Cn1ncc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000389111373 790561308 /nfs/dbraw/zinc/56/13/08/790561308.db2.gz PXMRUAYEEBISMM-JTQLQIEISA-N 2 1 266.349 -0.898 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000388939272 790562090 /nfs/dbraw/zinc/56/20/90/790562090.db2.gz YFMNPMUGFQCHAX-RDBSUJKOSA-N 2 1 273.421 -0.015 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000394133479 790576569 /nfs/dbraw/zinc/57/65/69/790576569.db2.gz OHPSKJUUHDHSKJ-OLZOCXBDSA-N 2 1 259.394 -0.404 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000394133479 790576576 /nfs/dbraw/zinc/57/65/76/790576576.db2.gz OHPSKJUUHDHSKJ-OLZOCXBDSA-N 2 1 259.394 -0.404 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000394133479 790576584 /nfs/dbraw/zinc/57/65/84/790576584.db2.gz OHPSKJUUHDHSKJ-OLZOCXBDSA-N 2 1 259.394 -0.404 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394393514 790577544 /nfs/dbraw/zinc/57/75/44/790577544.db2.gz ZKGGVFWFIHGNCU-WCQYABFASA-N 2 1 266.389 -0.367 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000395491569 790579847 /nfs/dbraw/zinc/57/98/47/790579847.db2.gz YYSLKMDFNFCEBW-UPJWGTAASA-N 2 1 257.378 -0.781 20 0 CBADMP [NH3+]C1(CC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000398084081 790594588 /nfs/dbraw/zinc/59/45/88/790594588.db2.gz PCKFHAFEJAJEBN-QWRGUYRKSA-N 2 1 253.346 -0.153 20 0 CBADMP C[N@@H+](CCN1CCOC1=O)CCN1CC[NH2+]CC1 ZINC000403247468 790614424 /nfs/dbraw/zinc/61/44/24/790614424.db2.gz GWWBGXAEWSUEIL-UHFFFAOYSA-N 2 1 256.350 -0.724 20 0 CBADMP CCNS(=O)(=O)CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405461729 790618417 /nfs/dbraw/zinc/61/84/17/790618417.db2.gz ZXMYSTIZSFTXTQ-UWVGGRQHSA-N 2 1 261.391 -0.215 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](N3C(=O)CNC3=O)C2)CC1 ZINC000585379942 790636465 /nfs/dbraw/zinc/63/64/65/790636465.db2.gz PVLJIANDVSTXHO-NSHDSACASA-N 2 1 266.345 -0.293 20 0 CBADMP C[NH+]1CCC(N2CC[C@H](N3C(=O)CNC3=O)C2)CC1 ZINC000585379942 790636470 /nfs/dbraw/zinc/63/64/70/790636470.db2.gz PVLJIANDVSTXHO-NSHDSACASA-N 2 1 266.345 -0.293 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](C)[C@@H](CO)C1 ZINC000687593826 790659772 /nfs/dbraw/zinc/65/97/72/790659772.db2.gz MZBORKKXXXUXHW-OLZOCXBDSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](C)[C@@H](CO)C1 ZINC000687593826 790659774 /nfs/dbraw/zinc/65/97/74/790659774.db2.gz MZBORKKXXXUXHW-OLZOCXBDSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@H+](C)[C@@H](CO)C1 ZINC000687593826 790659779 /nfs/dbraw/zinc/65/97/79/790659779.db2.gz MZBORKKXXXUXHW-OLZOCXBDSA-N 2 1 259.394 -0.704 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000687593826 790659782 /nfs/dbraw/zinc/65/97/82/790659782.db2.gz MZBORKKXXXUXHW-OLZOCXBDSA-N 2 1 259.394 -0.704 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000692440868 790676772 /nfs/dbraw/zinc/67/67/72/790676772.db2.gz PTBWERJEUOUICJ-QWRGUYRKSA-N 2 1 263.407 -0.002 20 0 CBADMP O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000695414723 790689793 /nfs/dbraw/zinc/68/97/93/790689793.db2.gz YGXYLVYDNANMPE-FRRDWIJNSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H]1COCCN1C ZINC000700215277 790708626 /nfs/dbraw/zinc/70/86/26/790708626.db2.gz HSSYZKQVPVAHQE-OLZOCXBDSA-N 2 1 259.394 -0.391 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702260582 790721841 /nfs/dbraw/zinc/72/18/41/790721841.db2.gz PWEINQASAPNHFU-OCCSQVGLSA-N 2 1 266.389 -0.698 20 0 CBADMP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000720416457 790764666 /nfs/dbraw/zinc/76/46/66/790764666.db2.gz PXQUFZRTZLFCDC-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000720905580 790774187 /nfs/dbraw/zinc/77/41/87/790774187.db2.gz DJTAGSOKGNHCDT-WHOHXGKFSA-N 2 1 253.346 -0.202 20 0 CBADMP O=S(=O)(CC[NH2+]C1CC[NH2+]CC1)N1CCCC1 ZINC000721977671 790785053 /nfs/dbraw/zinc/78/50/53/790785053.db2.gz FAODQWDFVRPPCH-UHFFFAOYSA-N 2 1 261.391 -0.246 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723921035 790801205 /nfs/dbraw/zinc/80/12/05/790801205.db2.gz CWPVITWTAPTKNZ-MGPQQGTHSA-N 2 1 273.421 -0.158 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723921035 790801217 /nfs/dbraw/zinc/80/12/17/790801217.db2.gz CWPVITWTAPTKNZ-MGPQQGTHSA-N 3 1 273.421 -0.158 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723921035 790801231 /nfs/dbraw/zinc/80/12/31/790801231.db2.gz CWPVITWTAPTKNZ-MGPQQGTHSA-N 3 1 273.421 -0.158 20 0 CBADMP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723921035 790801237 /nfs/dbraw/zinc/80/12/37/790801237.db2.gz CWPVITWTAPTKNZ-MGPQQGTHSA-N 3 1 273.421 -0.158 20 0 CBADMP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723921035 790801253 /nfs/dbraw/zinc/80/12/53/790801253.db2.gz CWPVITWTAPTKNZ-MGPQQGTHSA-N 3 1 273.421 -0.158 20 0 CBADMP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000723845330 790802412 /nfs/dbraw/zinc/80/24/12/790802412.db2.gz WUOPDTYMNDYUEN-GRYCIOLGSA-N 2 1 255.362 -0.240 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000723845330 790802422 /nfs/dbraw/zinc/80/24/22/790802422.db2.gz WUOPDTYMNDYUEN-GRYCIOLGSA-N 2 1 255.362 -0.240 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CCCO1 ZINC000724591491 790809197 /nfs/dbraw/zinc/80/91/97/790809197.db2.gz PFKLLMUHUGTJEG-XQHKEYJVSA-N 2 1 256.346 -0.160 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CCCO1 ZINC000724591491 790809202 /nfs/dbraw/zinc/80/92/02/790809202.db2.gz PFKLLMUHUGTJEG-XQHKEYJVSA-N 2 1 256.346 -0.160 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC1 ZINC000724591360 790808231 /nfs/dbraw/zinc/80/82/31/790808231.db2.gz NZHYFARWVQWGTC-SAXRGWBVSA-N 2 1 270.373 -0.165 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC1 ZINC000724591360 790808246 /nfs/dbraw/zinc/80/82/46/790808246.db2.gz NZHYFARWVQWGTC-SAXRGWBVSA-N 2 1 270.373 -0.165 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000822123805 790832429 /nfs/dbraw/zinc/83/24/29/790832429.db2.gz FMATYRMMVBNEFM-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CCC[C@H]1CC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000822126693 790833940 /nfs/dbraw/zinc/83/39/40/790833940.db2.gz BLOITLFBFHAINX-UONOGXRCSA-N 2 1 271.405 -0.247 20 0 CBADMP C[NH+](C)C1CC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000908011199 790912823 /nfs/dbraw/zinc/91/28/23/790912823.db2.gz COEVPMVXBFWLHK-FFJHZOIPSA-N 2 1 255.362 -0.350 20 0 CBADMP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001021898329 790965497 /nfs/dbraw/zinc/96/54/97/790965497.db2.gz XAHLKCSCZXKUGG-NTZNESFSSA-N 2 1 292.387 -0.354 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001021906427 790968703 /nfs/dbraw/zinc/96/87/03/790968703.db2.gz NVQHFIYDRUVWJG-ZNSHCXBVSA-N 2 1 268.361 -0.809 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001021896120 790966006 /nfs/dbraw/zinc/96/60/06/790966006.db2.gz VICZGHYFDHZYBW-NTZNESFSSA-N 2 1 292.387 -0.354 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001021896120 790966012 /nfs/dbraw/zinc/96/60/12/790966012.db2.gz VICZGHYFDHZYBW-NTZNESFSSA-N 2 1 292.387 -0.354 20 0 CBADMP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001021896449 790966075 /nfs/dbraw/zinc/96/60/75/790966075.db2.gz ZUCGNRIHGFBDDS-GRYCIOLGSA-N 2 1 292.387 -0.354 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001021906786 790969071 /nfs/dbraw/zinc/96/90/71/790969071.db2.gz YIASNRMYFQTLLX-YFKTTZPYSA-N 2 1 255.362 -0.302 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001022199287 790998121 /nfs/dbraw/zinc/99/81/21/790998121.db2.gz FNWORUGGBJZPMY-OUAUKWLOSA-N 2 1 291.355 -0.517 20 0 CBADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001022277473 791001836 /nfs/dbraw/zinc/00/18/36/791001836.db2.gz ANVGSNPIDCSWSI-XQHKEYJVSA-N 2 1 294.399 -0.275 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022292692 791001998 /nfs/dbraw/zinc/00/19/98/791001998.db2.gz PQZHVYBWOURILT-RNJOBUHISA-N 2 1 294.399 -0.404 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001022291921 791002722 /nfs/dbraw/zinc/00/27/22/791002722.db2.gz IAOIWVBUCNDQOB-QNWHQSFQSA-N 2 1 296.415 -0.029 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022593780 791029473 /nfs/dbraw/zinc/02/94/73/791029473.db2.gz POSZAXWCUDNUHH-FRRDWIJNSA-N 2 1 285.388 -0.675 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022593780 791029481 /nfs/dbraw/zinc/02/94/81/791029481.db2.gz POSZAXWCUDNUHH-FRRDWIJNSA-N 2 1 285.388 -0.675 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1)CC2 ZINC001022614251 791030820 /nfs/dbraw/zinc/03/08/20/791030820.db2.gz UBTMFLHMBYFCCC-RWMBFGLXSA-N 2 1 292.383 -0.017 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001022716484 791040951 /nfs/dbraw/zinc/04/09/51/791040951.db2.gz XTMUOYFIAFKVPT-NDBYEHHHSA-N 2 1 294.399 -0.547 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001022713744 791041234 /nfs/dbraw/zinc/04/12/34/791041234.db2.gz MBXMKESTYLXVPD-NDBYEHHHSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1)C(N)=O ZINC001022717466 791043313 /nfs/dbraw/zinc/04/33/13/791043313.db2.gz XTYPKVKXJLJPPX-SDDRHHMPSA-N 2 1 296.415 -0.171 20 0 CBADMP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001076987452 805667448 /nfs/dbraw/zinc/66/74/48/805667448.db2.gz RRNKYQPNCVTFBH-MGPQQGTHSA-N 2 1 299.415 -0.333 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001076987452 805667467 /nfs/dbraw/zinc/66/74/67/805667467.db2.gz RRNKYQPNCVTFBH-MGPQQGTHSA-N 2 1 299.415 -0.333 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076987452 805667473 /nfs/dbraw/zinc/66/74/73/805667473.db2.gz RRNKYQPNCVTFBH-MGPQQGTHSA-N 2 1 299.415 -0.333 20 0 CBADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001076987452 805667481 /nfs/dbraw/zinc/66/74/81/805667481.db2.gz RRNKYQPNCVTFBH-MGPQQGTHSA-N 2 1 299.415 -0.333 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077007526 805670465 /nfs/dbraw/zinc/67/04/65/805670465.db2.gz QFHXJYWJNASPOP-RBSFLKMASA-N 2 1 293.411 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)CC[N@H+]1C ZINC001077028481 805673212 /nfs/dbraw/zinc/67/32/12/805673212.db2.gz FKKQFKIGMVEWPE-REWJHTLYSA-N 2 1 299.415 -0.740 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)CC[NH+]1C ZINC001077028481 805673218 /nfs/dbraw/zinc/67/32/18/805673218.db2.gz FKKQFKIGMVEWPE-REWJHTLYSA-N 2 1 299.415 -0.740 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC[NH+]1C ZINC001077028481 805673225 /nfs/dbraw/zinc/67/32/25/805673225.db2.gz FKKQFKIGMVEWPE-REWJHTLYSA-N 2 1 299.415 -0.740 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@H]2O)CC[N@H+]1C ZINC001077027135 805674292 /nfs/dbraw/zinc/67/42/92/805674292.db2.gz CYOGGFYGKLZUBP-REWJHTLYSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC)C[C@H]2O)CC[NH+]1C ZINC001077027135 805674299 /nfs/dbraw/zinc/67/42/99/805674299.db2.gz CYOGGFYGKLZUBP-REWJHTLYSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2O)CC[NH+]1C ZINC001077027135 805674304 /nfs/dbraw/zinc/67/43/04/805674304.db2.gz CYOGGFYGKLZUBP-REWJHTLYSA-N 2 1 299.415 -0.476 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001077090887 805683033 /nfs/dbraw/zinc/68/30/33/805683033.db2.gz DLFUTCGHDJROGT-HZSPNIEDSA-N 2 1 299.415 -0.596 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001077090887 805683039 /nfs/dbraw/zinc/68/30/39/805683039.db2.gz DLFUTCGHDJROGT-HZSPNIEDSA-N 2 1 299.415 -0.596 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077090887 805683044 /nfs/dbraw/zinc/68/30/44/805683044.db2.gz DLFUTCGHDJROGT-HZSPNIEDSA-N 2 1 299.415 -0.596 20 0 CBADMP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001077131276 805688380 /nfs/dbraw/zinc/68/83/80/805688380.db2.gz UKYRMLSUOUCCNY-GRYCIOLGSA-N 2 1 278.356 -0.058 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001077131276 805688385 /nfs/dbraw/zinc/68/83/85/805688385.db2.gz UKYRMLSUOUCCNY-GRYCIOLGSA-N 2 1 278.356 -0.058 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077132388 805688827 /nfs/dbraw/zinc/68/88/27/805688827.db2.gz WOPJQJLQAQYHRQ-MGPQQGTHSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077132388 805688831 /nfs/dbraw/zinc/68/88/31/805688831.db2.gz WOPJQJLQAQYHRQ-MGPQQGTHSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077132388 805688833 /nfs/dbraw/zinc/68/88/33/805688833.db2.gz WOPJQJLQAQYHRQ-MGPQQGTHSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077132387 805689222 /nfs/dbraw/zinc/68/92/22/805689222.db2.gz WOPJQJLQAQYHRQ-BFHYXJOUSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077132387 805689227 /nfs/dbraw/zinc/68/92/27/805689227.db2.gz WOPJQJLQAQYHRQ-BFHYXJOUSA-N 2 1 299.415 -0.597 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077132387 805689233 /nfs/dbraw/zinc/68/92/33/805689233.db2.gz WOPJQJLQAQYHRQ-BFHYXJOUSA-N 2 1 299.415 -0.597 20 0 CBADMP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299143 805715783 /nfs/dbraw/zinc/71/57/83/805715783.db2.gz REQCJGFODGQUHI-CHWSQXEVSA-N 2 1 297.399 -0.578 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299143 805715789 /nfs/dbraw/zinc/71/57/89/805715789.db2.gz REQCJGFODGQUHI-CHWSQXEVSA-N 2 1 297.399 -0.578 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001077440514 805730088 /nfs/dbraw/zinc/73/00/88/805730088.db2.gz OKRUENNVOQOLAK-MGPQQGTHSA-N 2 1 297.399 -0.986 20 0 CBADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001077440514 805730091 /nfs/dbraw/zinc/73/00/91/805730091.db2.gz OKRUENNVOQOLAK-MGPQQGTHSA-N 2 1 297.399 -0.986 20 0 CBADMP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566566 805749401 /nfs/dbraw/zinc/74/94/01/805749401.db2.gz GIBDMNSQJHUTOJ-JHJVBQTASA-N 2 1 285.388 -0.723 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566566 805749410 /nfs/dbraw/zinc/74/94/10/805749410.db2.gz GIBDMNSQJHUTOJ-JHJVBQTASA-N 2 1 285.388 -0.723 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077566566 805749417 /nfs/dbraw/zinc/74/94/17/805749417.db2.gz GIBDMNSQJHUTOJ-JHJVBQTASA-N 2 1 285.388 -0.723 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077566566 805749421 /nfs/dbraw/zinc/74/94/21/805749421.db2.gz GIBDMNSQJHUTOJ-JHJVBQTASA-N 2 1 285.388 -0.723 20 0 CBADMP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180037 805852014 /nfs/dbraw/zinc/85/20/14/805852014.db2.gz KBMHVNYQJCWASP-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180037 805852023 /nfs/dbraw/zinc/85/20/23/805852023.db2.gz KBMHVNYQJCWASP-CHWSQXEVSA-N 2 1 269.389 -0.101 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1O ZINC001078182256 805854698 /nfs/dbraw/zinc/85/46/98/805854698.db2.gz MTOMICRRWLEXDK-VXGBXAGGSA-N 2 1 266.345 -0.239 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1O ZINC001078182256 805854708 /nfs/dbraw/zinc/85/47/08/805854708.db2.gz MTOMICRRWLEXDK-VXGBXAGGSA-N 2 1 266.345 -0.239 20 0 CBADMP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001078367253 805874978 /nfs/dbraw/zinc/87/49/78/805874978.db2.gz HUDYAGCAAFFZBQ-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001078367253 805874987 /nfs/dbraw/zinc/87/49/87/805874987.db2.gz HUDYAGCAAFFZBQ-KBPBESRZSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCO)C[C@H]2C)C1 ZINC001080449508 805985726 /nfs/dbraw/zinc/98/57/26/805985726.db2.gz NQMSWGCTOORJFI-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2C)C1 ZINC001080449508 805985735 /nfs/dbraw/zinc/98/57/35/805985735.db2.gz NQMSWGCTOORJFI-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2C)C1 ZINC001080449508 805985742 /nfs/dbraw/zinc/98/57/42/805985742.db2.gz NQMSWGCTOORJFI-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786650 806009611 /nfs/dbraw/zinc/00/96/11/806009611.db2.gz USKHPLGOPWTKAK-IJLUTSLNSA-N 2 1 294.399 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786650 806009621 /nfs/dbraw/zinc/00/96/21/806009621.db2.gz USKHPLGOPWTKAK-IJLUTSLNSA-N 2 1 294.399 -0.608 20 0 CBADMP CO[C@@H]1CN(CCO)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001082132940 806148741 /nfs/dbraw/zinc/14/87/41/806148741.db2.gz YWYQNGRXHIEZQZ-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082132940 806148748 /nfs/dbraw/zinc/14/87/48/806148748.db2.gz YWYQNGRXHIEZQZ-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082132940 806148751 /nfs/dbraw/zinc/14/87/51/806148751.db2.gz YWYQNGRXHIEZQZ-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001082132940 806148762 /nfs/dbraw/zinc/14/87/62/806148762.db2.gz YWYQNGRXHIEZQZ-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371430 806169073 /nfs/dbraw/zinc/16/90/73/806169073.db2.gz IPRNMRLANGQRSN-RAIGVLPGSA-N 2 1 296.371 -0.612 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371430 806169082 /nfs/dbraw/zinc/16/90/82/806169082.db2.gz IPRNMRLANGQRSN-RAIGVLPGSA-N 2 1 296.371 -0.612 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCF ZINC001082458325 806181203 /nfs/dbraw/zinc/18/12/03/806181203.db2.gz IMWBCSQPRMLJMS-IJLUTSLNSA-N 2 1 273.352 -0.277 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCF ZINC001082458325 806181208 /nfs/dbraw/zinc/18/12/08/806181208.db2.gz IMWBCSQPRMLJMS-IJLUTSLNSA-N 2 1 273.352 -0.277 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082544566 806185971 /nfs/dbraw/zinc/18/59/71/806185971.db2.gz IVSHSIIQBNZASX-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CCO ZINC001082742868 806193736 /nfs/dbraw/zinc/19/37/36/806193736.db2.gz VBAMWCRYOVCRSG-YNEHKIRRSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCO ZINC001082861704 806196862 /nfs/dbraw/zinc/19/68/62/806196862.db2.gz LYEOXQZSTXACNQ-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)CC1 ZINC001083183109 806236315 /nfs/dbraw/zinc/23/63/15/806236315.db2.gz NPUOAMIQLKHJLE-UONOGXRCSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)CC1 ZINC001083183109 806236318 /nfs/dbraw/zinc/23/63/18/806236318.db2.gz NPUOAMIQLKHJLE-UONOGXRCSA-N 2 1 297.399 -0.768 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@@H]2O)C1 ZINC001083385255 806297905 /nfs/dbraw/zinc/29/79/05/806297905.db2.gz IOZXPBRCDRRWMG-RDBSUJKOSA-N 2 1 297.399 -0.722 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@@H]2O)C1 ZINC001083385255 806297910 /nfs/dbraw/zinc/29/79/10/806297910.db2.gz IOZXPBRCDRRWMG-RDBSUJKOSA-N 2 1 297.399 -0.722 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2O)C1 ZINC001083385255 806297916 /nfs/dbraw/zinc/29/79/16/806297916.db2.gz IOZXPBRCDRRWMG-RDBSUJKOSA-N 2 1 297.399 -0.722 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2O)C1 ZINC001083385255 806297922 /nfs/dbraw/zinc/29/79/22/806297922.db2.gz IOZXPBRCDRRWMG-RDBSUJKOSA-N 2 1 297.399 -0.722 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083465752 806335696 /nfs/dbraw/zinc/33/56/96/806335696.db2.gz QFHXJYWJNASPOP-KFWWJZLASA-N 2 1 293.411 -0.101 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083465753 806336232 /nfs/dbraw/zinc/33/62/32/806336232.db2.gz QFHXJYWJNASPOP-ZNMIVQPWSA-N 2 1 293.411 -0.101 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@@H]2O)CC[N@H+]1C ZINC001083473904 806336584 /nfs/dbraw/zinc/33/65/84/806336584.db2.gz CYOGGFYGKLZUBP-DGAVXFQQSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC)C[C@@H]2O)CC[NH+]1C ZINC001083473904 806336595 /nfs/dbraw/zinc/33/65/95/806336595.db2.gz CYOGGFYGKLZUBP-DGAVXFQQSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@@H]2O)CC[NH+]1C ZINC001083473904 806336601 /nfs/dbraw/zinc/33/66/01/806336601.db2.gz CYOGGFYGKLZUBP-DGAVXFQQSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565223 806366518 /nfs/dbraw/zinc/36/65/18/806366518.db2.gz HVLSSYDJKQFMMC-YIYPIFLZSA-N 2 1 299.415 -0.477 20 0 CBADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565223 806366524 /nfs/dbraw/zinc/36/65/24/806366524.db2.gz HVLSSYDJKQFMMC-YIYPIFLZSA-N 2 1 299.415 -0.477 20 0 CBADMP CC(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565223 806366534 /nfs/dbraw/zinc/36/65/34/806366534.db2.gz HVLSSYDJKQFMMC-YIYPIFLZSA-N 2 1 299.415 -0.477 20 0 CBADMP CC(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565223 806366543 /nfs/dbraw/zinc/36/65/43/806366543.db2.gz HVLSSYDJKQFMMC-YIYPIFLZSA-N 2 1 299.415 -0.477 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601565 806382435 /nfs/dbraw/zinc/38/24/35/806382435.db2.gz BOERBISTHMEFOK-UPJWGTAASA-N 2 1 297.399 -0.843 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601565 806382443 /nfs/dbraw/zinc/38/24/43/806382443.db2.gz BOERBISTHMEFOK-UPJWGTAASA-N 2 1 297.399 -0.843 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644476 806389898 /nfs/dbraw/zinc/38/98/98/806389898.db2.gz INHHMOPXZMKHGZ-OLZOCXBDSA-N 2 1 290.323 -0.899 20 0 CBADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644476 806389906 /nfs/dbraw/zinc/38/99/06/806389906.db2.gz INHHMOPXZMKHGZ-OLZOCXBDSA-N 2 1 290.323 -0.899 20 0 CBADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696200 806403612 /nfs/dbraw/zinc/40/36/12/806403612.db2.gz OLWJGZVOBNBHOC-NEPJUHHUSA-N 2 1 285.388 -0.986 20 0 CBADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696200 806403617 /nfs/dbraw/zinc/40/36/17/806403617.db2.gz OLWJGZVOBNBHOC-NEPJUHHUSA-N 2 1 285.388 -0.986 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001083781461 806431054 /nfs/dbraw/zinc/43/10/54/806431054.db2.gz ILROWWLSFCTWNV-YUTCNCBUSA-N 2 1 292.383 -0.065 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001083781461 806431058 /nfs/dbraw/zinc/43/10/58/806431058.db2.gz ILROWWLSFCTWNV-YUTCNCBUSA-N 2 1 292.383 -0.065 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001083780632 806431161 /nfs/dbraw/zinc/43/11/61/806431161.db2.gz FIIUKQKOWJCFOW-BNOWGMLFSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)C1 ZINC001083780632 806431166 /nfs/dbraw/zinc/43/11/66/806431166.db2.gz FIIUKQKOWJCFOW-BNOWGMLFSA-N 2 1 281.400 -0.101 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)C1 ZINC001083780632 806431169 /nfs/dbraw/zinc/43/11/69/806431169.db2.gz FIIUKQKOWJCFOW-BNOWGMLFSA-N 2 1 281.400 -0.101 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778963 806431189 /nfs/dbraw/zinc/43/11/89/806431189.db2.gz FDCFXRPEPBAKAA-TUAOUCFPSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778963 806431193 /nfs/dbraw/zinc/43/11/93/806431193.db2.gz FDCFXRPEPBAKAA-TUAOUCFPSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778963 806431195 /nfs/dbraw/zinc/43/11/95/806431195.db2.gz FDCFXRPEPBAKAA-TUAOUCFPSA-N 2 1 255.362 -0.348 20 0 CBADMP COCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780986 806431454 /nfs/dbraw/zinc/43/14/54/806431454.db2.gz QLSAUVMUECXFTE-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780986 806431459 /nfs/dbraw/zinc/43/14/59/806431459.db2.gz QLSAUVMUECXFTE-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780986 806431464 /nfs/dbraw/zinc/43/14/64/806431464.db2.gz QLSAUVMUECXFTE-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780986 806431470 /nfs/dbraw/zinc/43/14/70/806431470.db2.gz QLSAUVMUECXFTE-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083779325 806432333 /nfs/dbraw/zinc/43/23/33/806432333.db2.gz WPOMACMLOBNKPT-UPJWGTAASA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083779325 806432337 /nfs/dbraw/zinc/43/23/37/806432337.db2.gz WPOMACMLOBNKPT-UPJWGTAASA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083779325 806432341 /nfs/dbraw/zinc/43/23/41/806432341.db2.gz WPOMACMLOBNKPT-UPJWGTAASA-N 2 1 285.388 -0.986 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001084059677 806484042 /nfs/dbraw/zinc/48/40/42/806484042.db2.gz TZDYDCKWBOPRNX-NEPJUHHUSA-N 2 1 284.335 -0.288 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001084059677 806484046 /nfs/dbraw/zinc/48/40/46/806484046.db2.gz TZDYDCKWBOPRNX-NEPJUHHUSA-N 2 1 284.335 -0.288 20 0 CBADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)OC ZINC001084057427 806480055 /nfs/dbraw/zinc/48/00/55/806480055.db2.gz KNJKQGLTLIYMDV-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)OC ZINC001084057427 806480059 /nfs/dbraw/zinc/48/00/59/806480059.db2.gz KNJKQGLTLIYMDV-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084347366 806516061 /nfs/dbraw/zinc/51/60/61/806516061.db2.gz OJIKZFDFBUWSAQ-QLFBSQMISA-N 2 1 293.411 -0.147 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21)C1CC1 ZINC001084407400 806516494 /nfs/dbraw/zinc/51/64/94/806516494.db2.gz VDBROBTZXDBQNX-MGPQQGTHSA-N 2 1 281.400 -0.148 20 0 CBADMP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21)[NH+](C)C ZINC001084448979 806519634 /nfs/dbraw/zinc/51/96/34/806519634.db2.gz NGGWZQNZHJSUQB-JHJVBQTASA-N 2 1 269.389 -0.148 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084523118 806523847 /nfs/dbraw/zinc/52/38/47/806523847.db2.gz YCWVDUOXTQGONK-CHWSQXEVSA-N 2 1 278.356 -0.283 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084523118 806523852 /nfs/dbraw/zinc/52/38/52/806523852.db2.gz YCWVDUOXTQGONK-CHWSQXEVSA-N 2 1 278.356 -0.283 20 0 CBADMP CNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084830377 806538411 /nfs/dbraw/zinc/53/84/11/806538411.db2.gz TYJSXVISCXUWAX-JHJVBQTASA-N 2 1 294.399 -0.783 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085245401 806550362 /nfs/dbraw/zinc/55/03/62/806550362.db2.gz WERLLYJGXKKFSN-JHJVBQTASA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085333056 806552948 /nfs/dbraw/zinc/55/29/48/806552948.db2.gz XNELCXZGWJLRKT-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085424530 806556169 /nfs/dbraw/zinc/55/61/69/806556169.db2.gz UKGZQPYJMZZJRV-VXGBXAGGSA-N 2 1 293.371 -0.306 20 0 CBADMP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001085519850 806570884 /nfs/dbraw/zinc/57/08/84/806570884.db2.gz ZAZANMJTLOJFTI-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001085519850 806570887 /nfs/dbraw/zinc/57/08/87/806570887.db2.gz ZAZANMJTLOJFTI-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001085519850 806570897 /nfs/dbraw/zinc/57/08/97/806570897.db2.gz ZAZANMJTLOJFTI-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001085519850 806570905 /nfs/dbraw/zinc/57/09/05/806570905.db2.gz ZAZANMJTLOJFTI-RYUDHWBXSA-N 2 1 255.362 -0.394 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001085519777 806571060 /nfs/dbraw/zinc/57/10/60/806571060.db2.gz XIZSEPQKJZRCQV-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001085519777 806571067 /nfs/dbraw/zinc/57/10/67/806571067.db2.gz XIZSEPQKJZRCQV-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001085519777 806571075 /nfs/dbraw/zinc/57/10/75/806571075.db2.gz XIZSEPQKJZRCQV-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CC[N@H+]1CCCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001085519775 806571614 /nfs/dbraw/zinc/57/16/14/806571614.db2.gz XIZSEPQKJZRCQV-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001085519775 806571620 /nfs/dbraw/zinc/57/16/20/806571620.db2.gz XIZSEPQKJZRCQV-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@H]1CC[NH+]1CCCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001085519775 806571628 /nfs/dbraw/zinc/57/16/28/806571628.db2.gz XIZSEPQKJZRCQV-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001085928142 806625617 /nfs/dbraw/zinc/62/56/17/806625617.db2.gz PHMMXIPYSLXLRZ-LBPRGKRZSA-N 2 1 267.373 -0.393 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085972964 806627357 /nfs/dbraw/zinc/62/73/57/806627357.db2.gz LSFCJXLINIARRO-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085972964 806627361 /nfs/dbraw/zinc/62/73/61/806627361.db2.gz LSFCJXLINIARRO-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085972964 806627364 /nfs/dbraw/zinc/62/73/64/806627364.db2.gz LSFCJXLINIARRO-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCO)C1 ZINC001085980065 806630664 /nfs/dbraw/zinc/63/06/64/806630664.db2.gz IJFXHBXKCYNQFW-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCO)C1 ZINC001085980065 806630669 /nfs/dbraw/zinc/63/06/69/806630669.db2.gz IJFXHBXKCYNQFW-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCCO)C1 ZINC001085980065 806630674 /nfs/dbraw/zinc/63/06/74/806630674.db2.gz IJFXHBXKCYNQFW-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCCO)C1 ZINC001085980065 806630679 /nfs/dbraw/zinc/63/06/79/806630679.db2.gz IJFXHBXKCYNQFW-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001086047523 806639032 /nfs/dbraw/zinc/63/90/32/806639032.db2.gz TTYQTFBAADPRSV-YVECIDJPSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001086047522 806639177 /nfs/dbraw/zinc/63/91/77/806639177.db2.gz TTYQTFBAADPRSV-XQHKEYJVSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001022975868 798871002 /nfs/dbraw/zinc/87/10/02/798871002.db2.gz VYCJSWIYMWPGRM-XQHKEYJVSA-N 2 1 269.389 -0.054 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001022976640 798871825 /nfs/dbraw/zinc/87/18/25/798871825.db2.gz CMZLSADQFOBLER-WUHRBBMRSA-N 2 1 296.415 -0.171 20 0 CBADMP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001023083847 798879504 /nfs/dbraw/zinc/87/95/04/798879504.db2.gz BLIVNTZFCLPURV-SDDRHHMPSA-N 2 1 292.387 -0.496 20 0 CBADMP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023115641 798884196 /nfs/dbraw/zinc/88/41/96/798884196.db2.gz QZFDLFPWPDPIAH-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023115641 798884200 /nfs/dbraw/zinc/88/42/00/798884200.db2.gz QZFDLFPWPDPIAH-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001023377625 798903381 /nfs/dbraw/zinc/90/33/81/798903381.db2.gz RQOVQKLGBUIETH-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001023377625 798903383 /nfs/dbraw/zinc/90/33/83/798903383.db2.gz RQOVQKLGBUIETH-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001023377625 798903387 /nfs/dbraw/zinc/90/33/87/798903387.db2.gz RQOVQKLGBUIETH-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001023377625 798903389 /nfs/dbraw/zinc/90/33/89/798903389.db2.gz RQOVQKLGBUIETH-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023744099 798919398 /nfs/dbraw/zinc/91/93/98/798919398.db2.gz INKWJDCYODRQPL-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023744099 798919402 /nfs/dbraw/zinc/91/94/02/798919402.db2.gz INKWJDCYODRQPL-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023744099 798919405 /nfs/dbraw/zinc/91/94/05/798919405.db2.gz INKWJDCYODRQPL-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001023757448 798922157 /nfs/dbraw/zinc/92/21/57/798922157.db2.gz GQLOELQDAULTOL-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001023757448 798922161 /nfs/dbraw/zinc/92/21/61/798922161.db2.gz GQLOELQDAULTOL-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001023757448 798922165 /nfs/dbraw/zinc/92/21/65/798922165.db2.gz GQLOELQDAULTOL-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001023757448 798922170 /nfs/dbraw/zinc/92/21/70/798922170.db2.gz GQLOELQDAULTOL-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCCO)C1 ZINC001024376152 798935200 /nfs/dbraw/zinc/93/52/00/798935200.db2.gz ZLPSDPVUQIVJNS-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCCO)C1 ZINC001024376152 798935203 /nfs/dbraw/zinc/93/52/03/798935203.db2.gz ZLPSDPVUQIVJNS-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCCO)C1 ZINC001024376152 798935216 /nfs/dbraw/zinc/93/52/16/798935216.db2.gz ZLPSDPVUQIVJNS-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CCCO)C1 ZINC001024376152 798935221 /nfs/dbraw/zinc/93/52/21/798935221.db2.gz ZLPSDPVUQIVJNS-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001024797517 798948024 /nfs/dbraw/zinc/94/80/24/798948024.db2.gz OXGTUSFFKCHJKR-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001024797517 798948025 /nfs/dbraw/zinc/94/80/25/798948025.db2.gz OXGTUSFFKCHJKR-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001024797517 798948028 /nfs/dbraw/zinc/94/80/28/798948028.db2.gz OXGTUSFFKCHJKR-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024797517 798948030 /nfs/dbraw/zinc/94/80/30/798948030.db2.gz OXGTUSFFKCHJKR-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719831 798970922 /nfs/dbraw/zinc/97/09/22/798970922.db2.gz ITIJORLWPXKUEO-DGTMBMJNSA-N 2 1 297.399 -0.602 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719831 798970927 /nfs/dbraw/zinc/97/09/27/798970927.db2.gz ITIJORLWPXKUEO-DGTMBMJNSA-N 2 1 297.399 -0.602 20 0 CBADMP COC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001025719831 798970931 /nfs/dbraw/zinc/97/09/31/798970931.db2.gz ITIJORLWPXKUEO-DGTMBMJNSA-N 2 1 297.399 -0.602 20 0 CBADMP COC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001025719831 798970935 /nfs/dbraw/zinc/97/09/35/798970935.db2.gz ITIJORLWPXKUEO-DGTMBMJNSA-N 2 1 297.399 -0.602 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001025708147 798972405 /nfs/dbraw/zinc/97/24/05/798972405.db2.gz KSYIMZJCEMKJAQ-BNDIWNMDSA-N 2 1 267.373 -0.492 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001025708147 798972408 /nfs/dbraw/zinc/97/24/08/798972408.db2.gz KSYIMZJCEMKJAQ-BNDIWNMDSA-N 2 1 267.373 -0.492 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001025708147 798972410 /nfs/dbraw/zinc/97/24/10/798972410.db2.gz KSYIMZJCEMKJAQ-BNDIWNMDSA-N 2 1 267.373 -0.492 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001025708149 798972459 /nfs/dbraw/zinc/97/24/59/798972459.db2.gz KSYIMZJCEMKJAQ-KIJLLGNVSA-N 2 1 267.373 -0.492 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001025708149 798972462 /nfs/dbraw/zinc/97/24/62/798972462.db2.gz KSYIMZJCEMKJAQ-KIJLLGNVSA-N 2 1 267.373 -0.492 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001025708149 798972463 /nfs/dbraw/zinc/97/24/63/798972463.db2.gz KSYIMZJCEMKJAQ-KIJLLGNVSA-N 2 1 267.373 -0.492 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001026043396 798987590 /nfs/dbraw/zinc/98/75/90/798987590.db2.gz OZNLILHYWWNDSW-ZXPJVPCYSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001026043396 798987592 /nfs/dbraw/zinc/98/75/92/798987592.db2.gz OZNLILHYWWNDSW-ZXPJVPCYSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001026043396 798987597 /nfs/dbraw/zinc/98/75/97/798987597.db2.gz OZNLILHYWWNDSW-ZXPJVPCYSA-N 2 1 294.399 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001026043396 798987598 /nfs/dbraw/zinc/98/75/98/798987598.db2.gz OZNLILHYWWNDSW-ZXPJVPCYSA-N 2 1 294.399 -0.752 20 0 CBADMP 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 798987867 /nfs/dbraw/zinc/98/78/67/798987867.db2.gz JNJAGHGFSXUPCX-OBPIAQAESA-N 2 1 267.373 -0.777 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001026045792 798987869 /nfs/dbraw/zinc/98/78/69/798987869.db2.gz JNJAGHGFSXUPCX-OBPIAQAESA-N 2 1 267.373 -0.777 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001026045792 798987870 /nfs/dbraw/zinc/98/78/70/798987870.db2.gz JNJAGHGFSXUPCX-OBPIAQAESA-N 2 1 267.373 -0.777 20 0 CBADMP 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 798987990 /nfs/dbraw/zinc/98/79/90/798987990.db2.gz FXQFLAHNZDWFFF-XOBFJNJYSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001026043506 798987995 /nfs/dbraw/zinc/98/79/95/798987995.db2.gz FXQFLAHNZDWFFF-XOBFJNJYSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001026043506 798987999 /nfs/dbraw/zinc/98/79/99/798987999.db2.gz FXQFLAHNZDWFFF-XOBFJNJYSA-N 2 1 281.400 -0.245 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](C)O)C[C@H]32)C1 ZINC001026147852 798992721 /nfs/dbraw/zinc/99/27/21/798992721.db2.gz SZKGMJDEJKFONE-RGDJUOJXSA-N 2 1 297.399 -0.866 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](C)O)C[C@H]32)C1 ZINC001026147852 798992723 /nfs/dbraw/zinc/99/27/23/798992723.db2.gz SZKGMJDEJKFONE-RGDJUOJXSA-N 2 1 297.399 -0.866 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](C)O)C[C@H]32)C1 ZINC001026147852 798992728 /nfs/dbraw/zinc/99/27/28/798992728.db2.gz SZKGMJDEJKFONE-RGDJUOJXSA-N 2 1 297.399 -0.866 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](C)O)C[C@H]32)C1 ZINC001026147852 798992732 /nfs/dbraw/zinc/99/27/32/798992732.db2.gz SZKGMJDEJKFONE-RGDJUOJXSA-N 2 1 297.399 -0.866 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCC([NH2+]CCO)CC2)O1 ZINC001026514583 799006659 /nfs/dbraw/zinc/00/66/59/799006659.db2.gz KAJWFJKTHDWPSG-BLYZHGLHSA-N 2 1 299.415 -0.285 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]CCO)CC2)O1 ZINC001026514583 799006666 /nfs/dbraw/zinc/00/66/66/799006666.db2.gz KAJWFJKTHDWPSG-BLYZHGLHSA-N 2 1 299.415 -0.285 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026605587 799011115 /nfs/dbraw/zinc/01/11/15/799011115.db2.gz USFUZOJYHULCEW-VOMCLLRMSA-N 2 1 282.388 -0.560 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2CCC([NH2+]CCO)CC2)C1 ZINC001026605420 799011305 /nfs/dbraw/zinc/01/13/05/799011305.db2.gz OSCNWGXKBCIEPN-HIFPTAJRSA-N 2 1 269.389 -0.053 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026605586 799011774 /nfs/dbraw/zinc/01/17/74/799011774.db2.gz USFUZOJYHULCEW-UNXYVOJBSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001026749281 799020772 /nfs/dbraw/zinc/02/07/72/799020772.db2.gz DXHJVFGQHKZGHU-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001026749281 799020776 /nfs/dbraw/zinc/02/07/76/799020776.db2.gz DXHJVFGQHKZGHU-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027333614 799040611 /nfs/dbraw/zinc/04/06/11/799040611.db2.gz YNSYUFBGDTWPFY-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027333614 799040617 /nfs/dbraw/zinc/04/06/17/799040617.db2.gz YNSYUFBGDTWPFY-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001027333614 799040623 /nfs/dbraw/zinc/04/06/23/799040623.db2.gz YNSYUFBGDTWPFY-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001027333614 799040630 /nfs/dbraw/zinc/04/06/30/799040630.db2.gz YNSYUFBGDTWPFY-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CC(N)=O)C2)CC[N@@H+]1C ZINC001027416311 799046279 /nfs/dbraw/zinc/04/62/79/799046279.db2.gz DRDSRVOORLOJRP-JHJVBQTASA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CC(N)=O)C2)CC[N@H+]1C ZINC001027416311 799046285 /nfs/dbraw/zinc/04/62/85/799046285.db2.gz DRDSRVOORLOJRP-JHJVBQTASA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC001027416311 799046291 /nfs/dbraw/zinc/04/62/91/799046291.db2.gz DRDSRVOORLOJRP-JHJVBQTASA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC001027416311 799046294 /nfs/dbraw/zinc/04/62/94/799046294.db2.gz DRDSRVOORLOJRP-JHJVBQTASA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027441195 799047757 /nfs/dbraw/zinc/04/77/57/799047757.db2.gz ANUYRPXMXHCZGW-CYBMUJFWSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001027441195 799047765 /nfs/dbraw/zinc/04/77/65/799047765.db2.gz ANUYRPXMXHCZGW-CYBMUJFWSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1)C1CCC1 ZINC001027441195 799047771 /nfs/dbraw/zinc/04/77/71/799047771.db2.gz ANUYRPXMXHCZGW-CYBMUJFWSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](CC(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1)C1CCC1 ZINC001027441195 799047779 /nfs/dbraw/zinc/04/77/79/799047779.db2.gz ANUYRPXMXHCZGW-CYBMUJFWSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCO ZINC001027789322 799079892 /nfs/dbraw/zinc/07/98/92/799079892.db2.gz HFHKRHFDPUJYFW-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCO ZINC001027789322 799079900 /nfs/dbraw/zinc/07/99/00/799079900.db2.gz HFHKRHFDPUJYFW-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001027789322 799079908 /nfs/dbraw/zinc/07/99/08/799079908.db2.gz HFHKRHFDPUJYFW-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(N)=O)CC[N@@H+]1C ZINC001027893508 799093452 /nfs/dbraw/zinc/09/34/52/799093452.db2.gz YBOBKSFUZQMJQS-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(N)=O)CC[N@H+]1C ZINC001027893508 799093460 /nfs/dbraw/zinc/09/34/60/799093460.db2.gz YBOBKSFUZQMJQS-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)CC[NH+]1C ZINC001027893508 799093468 /nfs/dbraw/zinc/09/34/68/799093468.db2.gz YBOBKSFUZQMJQS-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)CC[NH+]1C ZINC001027893508 799093477 /nfs/dbraw/zinc/09/34/77/799093477.db2.gz YBOBKSFUZQMJQS-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP O=C(NC[C@H]1CCC[N@@H+]1CCO)C12CC[NH+](CC1)C2 ZINC001028267684 799119468 /nfs/dbraw/zinc/11/94/68/799119468.db2.gz LLXCJWPSZHNVLW-GFCCVEGCSA-N 2 1 267.373 -0.345 20 0 CBADMP CNC(=O)CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028314844 799122928 /nfs/dbraw/zinc/12/29/28/799122928.db2.gz DZBXIWDKZILOFA-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028314844 799122930 /nfs/dbraw/zinc/12/29/30/799122930.db2.gz DZBXIWDKZILOFA-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028314844 799122934 /nfs/dbraw/zinc/12/29/34/799122934.db2.gz DZBXIWDKZILOFA-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028314844 799122936 /nfs/dbraw/zinc/12/29/36/799122936.db2.gz DZBXIWDKZILOFA-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028314844 799122940 /nfs/dbraw/zinc/12/29/40/799122940.db2.gz DZBXIWDKZILOFA-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCO)C1 ZINC001028445354 799137914 /nfs/dbraw/zinc/13/79/14/799137914.db2.gz ODKGKQQRPOXGHR-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCCO)C1 ZINC001028445354 799137916 /nfs/dbraw/zinc/13/79/16/799137916.db2.gz ODKGKQQRPOXGHR-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001028445354 799137919 /nfs/dbraw/zinc/13/79/19/799137919.db2.gz ODKGKQQRPOXGHR-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447248 799138025 /nfs/dbraw/zinc/13/80/25/799138025.db2.gz NZGKEAXNPBIPHA-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001028447248 799138028 /nfs/dbraw/zinc/13/80/28/799138028.db2.gz NZGKEAXNPBIPHA-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001028447248 799138029 /nfs/dbraw/zinc/13/80/29/799138029.db2.gz NZGKEAXNPBIPHA-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCCO)C2)C1 ZINC001028462038 799140723 /nfs/dbraw/zinc/14/07/23/799140723.db2.gz XAZPLSFLVVIBLX-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCCO)C2)C1 ZINC001028462038 799140727 /nfs/dbraw/zinc/14/07/27/799140727.db2.gz XAZPLSFLVVIBLX-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001028462038 799140731 /nfs/dbraw/zinc/14/07/31/799140731.db2.gz XAZPLSFLVVIBLX-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001028462038 799140734 /nfs/dbraw/zinc/14/07/34/799140734.db2.gz XAZPLSFLVVIBLX-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CCCO)C2)O1 ZINC001028629809 799156184 /nfs/dbraw/zinc/15/61/84/799156184.db2.gz SXKQERWXLMWXMX-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CCCO)C2)O1 ZINC001028629809 799156189 /nfs/dbraw/zinc/15/61/89/799156189.db2.gz SXKQERWXLMWXMX-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](CCCO)C2)O1 ZINC001028629809 799156193 /nfs/dbraw/zinc/15/61/93/799156193.db2.gz SXKQERWXLMWXMX-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](CCCO)C2)O1 ZINC001028629809 799156197 /nfs/dbraw/zinc/15/61/97/799156197.db2.gz SXKQERWXLMWXMX-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP NC(=O)C[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028659893 799158980 /nfs/dbraw/zinc/15/89/80/799158980.db2.gz ZQJXXRLZOQFMNP-GFCCVEGCSA-N 2 1 294.399 -0.462 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001029240439 799191483 /nfs/dbraw/zinc/19/14/83/799191483.db2.gz QJXOINWUJIDXHR-FRRDWIJNSA-N 2 1 267.373 -0.252 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001029240439 799191485 /nfs/dbraw/zinc/19/14/85/799191485.db2.gz QJXOINWUJIDXHR-FRRDWIJNSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029240439 799191486 /nfs/dbraw/zinc/19/14/86/799191486.db2.gz QJXOINWUJIDXHR-FRRDWIJNSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029240439 799191488 /nfs/dbraw/zinc/19/14/88/799191488.db2.gz QJXOINWUJIDXHR-FRRDWIJNSA-N 2 1 267.373 -0.252 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029393879 799197573 /nfs/dbraw/zinc/19/75/73/799197573.db2.gz XZSXKJHNMQYWNK-BETUJISGSA-N 2 1 278.356 -0.141 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029393879 799197575 /nfs/dbraw/zinc/19/75/75/799197575.db2.gz XZSXKJHNMQYWNK-BETUJISGSA-N 2 1 278.356 -0.141 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001031585296 799513377 /nfs/dbraw/zinc/51/33/77/799513377.db2.gz VRDLWFMRRHUZLV-OLZOCXBDSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001031585296 799513379 /nfs/dbraw/zinc/51/33/79/799513379.db2.gz VRDLWFMRRHUZLV-OLZOCXBDSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031585193 799513663 /nfs/dbraw/zinc/51/36/63/799513663.db2.gz RTXOZECDOACLPH-JQWIXIFHSA-N 2 1 255.362 -0.491 20 0 CBADMP CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1=O ZINC001031585537 799514316 /nfs/dbraw/zinc/51/43/16/799514316.db2.gz YURHJVXXBUKVBA-QWHCGFSZSA-N 2 1 294.399 -0.641 20 0 CBADMP CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC001031585537 799514319 /nfs/dbraw/zinc/51/43/19/799514319.db2.gz YURHJVXXBUKVBA-QWHCGFSZSA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC3CC3)C2)C1 ZINC001031594612 799517056 /nfs/dbraw/zinc/51/70/56/799517056.db2.gz GSUZAZJRUCATAU-CYBMUJFWSA-N 2 1 267.373 -0.225 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC3CC3)C2)C1 ZINC001031594612 799517058 /nfs/dbraw/zinc/51/70/58/799517058.db2.gz GSUZAZJRUCATAU-CYBMUJFWSA-N 2 1 267.373 -0.225 20 0 CBADMP COCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031688243 799533376 /nfs/dbraw/zinc/53/33/76/799533376.db2.gz BGEFXVMLQLSOLD-KBPBESRZSA-N 2 1 297.399 -0.456 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCO)C2)C1 ZINC001031923174 799562264 /nfs/dbraw/zinc/56/22/64/799562264.db2.gz VKHKYCYEXBCGHI-CYBMUJFWSA-N 2 1 285.388 -0.864 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031977171 799568365 /nfs/dbraw/zinc/56/83/65/799568365.db2.gz XSYBWLUACGOJAI-YPMHNXCESA-N 2 1 269.389 -0.386 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO)C1CC1 ZINC001032446162 799628957 /nfs/dbraw/zinc/62/89/57/799628957.db2.gz XGYLFUMDTVLEMF-RWMBFGLXSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO)C1CC1 ZINC001032446162 799628960 /nfs/dbraw/zinc/62/89/60/799628960.db2.gz XGYLFUMDTVLEMF-RWMBFGLXSA-N 2 1 267.373 -0.396 20 0 CBADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO)[NH+](C)C ZINC001032610112 799649546 /nfs/dbraw/zinc/64/95/46/799649546.db2.gz XTPODPIVMMHCIX-RWMBFGLXSA-N 2 1 269.389 -0.150 20 0 CBADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO)[NH+](C)C ZINC001032610112 799649547 /nfs/dbraw/zinc/64/95/47/799649547.db2.gz XTPODPIVMMHCIX-RWMBFGLXSA-N 2 1 269.389 -0.150 20 0 CBADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001032958879 799696774 /nfs/dbraw/zinc/69/67/74/799696774.db2.gz BWRBKBOFULOVPP-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCCO)C1 ZINC001032958879 799696777 /nfs/dbraw/zinc/69/67/77/799696777.db2.gz BWRBKBOFULOVPP-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCCO)C1 ZINC001032958879 799696779 /nfs/dbraw/zinc/69/67/79/799696779.db2.gz BWRBKBOFULOVPP-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001032982753 799700190 /nfs/dbraw/zinc/70/01/90/799700190.db2.gz XRLYIBKBNNQUMT-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001032982753 799700193 /nfs/dbraw/zinc/70/01/93/799700193.db2.gz XRLYIBKBNNQUMT-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCCO)C1 ZINC001032982753 799700195 /nfs/dbraw/zinc/70/01/95/799700195.db2.gz XRLYIBKBNNQUMT-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCCO)C1 ZINC001032982753 799700197 /nfs/dbraw/zinc/70/01/97/799700197.db2.gz XRLYIBKBNNQUMT-OLZOCXBDSA-N 2 1 285.388 -0.768 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](CCO)C1 ZINC001033266757 799733751 /nfs/dbraw/zinc/73/37/51/799733751.db2.gz RIPYWVJTUTXTTM-GFCCVEGCSA-N 2 1 266.345 -0.283 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033266757 799733755 /nfs/dbraw/zinc/73/37/55/799733755.db2.gz RIPYWVJTUTXTTM-GFCCVEGCSA-N 2 1 266.345 -0.283 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](CCO)C1 ZINC001033421677 799752328 /nfs/dbraw/zinc/75/23/28/799752328.db2.gz DJYPTKQPXZRKJI-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](CCO)C1 ZINC001033421677 799752333 /nfs/dbraw/zinc/75/23/33/799752333.db2.gz DJYPTKQPXZRKJI-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001033421677 799752338 /nfs/dbraw/zinc/75/23/38/799752338.db2.gz DJYPTKQPXZRKJI-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592002 799769317 /nfs/dbraw/zinc/76/93/17/799769317.db2.gz DSDCZESPRJASHH-GFCCVEGCSA-N 2 1 294.399 -0.639 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592002 799769319 /nfs/dbraw/zinc/76/93/19/799769319.db2.gz DSDCZESPRJASHH-GFCCVEGCSA-N 2 1 294.399 -0.639 20 0 CBADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033580419 799770454 /nfs/dbraw/zinc/77/04/54/799770454.db2.gz DQQCMGAGGHFRKB-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033580419 799770455 /nfs/dbraw/zinc/77/04/55/799770455.db2.gz DQQCMGAGGHFRKB-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033580419 799770459 /nfs/dbraw/zinc/77/04/59/799770459.db2.gz DQQCMGAGGHFRKB-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033580419 799770461 /nfs/dbraw/zinc/77/04/61/799770461.db2.gz DQQCMGAGGHFRKB-RYUDHWBXSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033596445 799771736 /nfs/dbraw/zinc/77/17/36/799771736.db2.gz ZSXKFKXUUCDXRI-CHWSQXEVSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033596477 799772318 /nfs/dbraw/zinc/77/23/18/799772318.db2.gz ZSXKFKXUUCDXRI-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033660063 799778121 /nfs/dbraw/zinc/77/81/21/799778121.db2.gz HCQDLXUZGJEKII-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCCO)C1 ZINC001033660063 799778127 /nfs/dbraw/zinc/77/81/27/799778127.db2.gz HCQDLXUZGJEKII-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCCO)C1 ZINC001033660063 799778132 /nfs/dbraw/zinc/77/81/32/799778132.db2.gz HCQDLXUZGJEKII-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033666067 799778819 /nfs/dbraw/zinc/77/88/19/799778819.db2.gz UHVFNQUEXJYKSB-GFCCVEGCSA-N 2 1 255.362 -0.393 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001033671831 799778966 /nfs/dbraw/zinc/77/89/66/799778966.db2.gz JYQJGLPPPJBQHH-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001033671831 799778969 /nfs/dbraw/zinc/77/89/69/799778969.db2.gz JYQJGLPPPJBQHH-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001033671831 799778971 /nfs/dbraw/zinc/77/89/71/799778971.db2.gz JYQJGLPPPJBQHH-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001033671831 799778974 /nfs/dbraw/zinc/77/89/74/799778974.db2.gz JYQJGLPPPJBQHH-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034148338 799815279 /nfs/dbraw/zinc/81/52/79/799815279.db2.gz IPEJOACRGFBHRP-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034148338 799815288 /nfs/dbraw/zinc/81/52/88/799815288.db2.gz IPEJOACRGFBHRP-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCCO)C2)C1 ZINC001034148338 799815293 /nfs/dbraw/zinc/81/52/93/799815293.db2.gz IPEJOACRGFBHRP-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCCO)C2)C1 ZINC001034148338 799815298 /nfs/dbraw/zinc/81/52/98/799815298.db2.gz IPEJOACRGFBHRP-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034148339 799817230 /nfs/dbraw/zinc/81/72/30/799817230.db2.gz IPEJOACRGFBHRP-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034148339 799817235 /nfs/dbraw/zinc/81/72/35/799817235.db2.gz IPEJOACRGFBHRP-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCCO)C2)C1 ZINC001034148339 799817240 /nfs/dbraw/zinc/81/72/40/799817240.db2.gz IPEJOACRGFBHRP-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCCO)C2)C1 ZINC001034148339 799817248 /nfs/dbraw/zinc/81/72/48/799817248.db2.gz IPEJOACRGFBHRP-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034491581 799843903 /nfs/dbraw/zinc/84/39/03/799843903.db2.gz VSYDBAZLBRUSLN-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034491581 799843910 /nfs/dbraw/zinc/84/39/10/799843910.db2.gz VSYDBAZLBRUSLN-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)C1 ZINC001034491581 799843916 /nfs/dbraw/zinc/84/39/16/799843916.db2.gz VSYDBAZLBRUSLN-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)C1 ZINC001034491581 799843923 /nfs/dbraw/zinc/84/39/23/799843923.db2.gz VSYDBAZLBRUSLN-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001034617350 799848151 /nfs/dbraw/zinc/84/81/51/799848151.db2.gz OZXSPDXXRQTGRS-XDQVBPFNSA-N 2 1 299.415 -0.285 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001034617350 799848158 /nfs/dbraw/zinc/84/81/58/799848158.db2.gz OZXSPDXXRQTGRS-XDQVBPFNSA-N 2 1 299.415 -0.285 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001034617348 799848431 /nfs/dbraw/zinc/84/84/31/799848431.db2.gz OZXSPDXXRQTGRS-AAVRWANBSA-N 2 1 299.415 -0.285 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001034617348 799848443 /nfs/dbraw/zinc/84/84/43/799848443.db2.gz OZXSPDXXRQTGRS-AAVRWANBSA-N 2 1 299.415 -0.285 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCCO)CCO2)CC[N@@H+]1C ZINC001035370487 799910373 /nfs/dbraw/zinc/91/03/73/799910373.db2.gz AFHMGWOWBYVSMS-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCCO)CCO2)CC[N@H+]1C ZINC001035370487 799910383 /nfs/dbraw/zinc/91/03/83/799910383.db2.gz AFHMGWOWBYVSMS-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)CC[NH+]1C ZINC001035370487 799910390 /nfs/dbraw/zinc/91/03/90/799910390.db2.gz AFHMGWOWBYVSMS-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)CC[NH+]1C ZINC001035370487 799910395 /nfs/dbraw/zinc/91/03/95/799910395.db2.gz AFHMGWOWBYVSMS-HZSPNIEDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1[NH2+]CCO ZINC001036219321 799982661 /nfs/dbraw/zinc/98/26/61/799982661.db2.gz PSSFHCIBLIXXKV-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP O=C(N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1)C12CC[NH+](CC1)C2 ZINC001036871691 800011648 /nfs/dbraw/zinc/01/16/48/800011648.db2.gz OSXJLBZJOWNLPR-KBPBESRZSA-N 2 1 293.411 -0.003 20 0 CBADMP O=C(N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1)C12CC[NH+](CC1)C2 ZINC001036871693 800011969 /nfs/dbraw/zinc/01/19/69/800011969.db2.gz OSXJLBZJOWNLPR-UONOGXRCSA-N 2 1 293.411 -0.003 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCO ZINC001038120185 800055410 /nfs/dbraw/zinc/05/54/10/800055410.db2.gz ZKJHBPYPIVYYRU-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCO ZINC001038120185 800055417 /nfs/dbraw/zinc/05/54/17/800055417.db2.gz ZKJHBPYPIVYYRU-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001038120185 800055424 /nfs/dbraw/zinc/05/54/24/800055424.db2.gz ZKJHBPYPIVYYRU-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001038120185 800055430 /nfs/dbraw/zinc/05/54/30/800055430.db2.gz ZKJHBPYPIVYYRU-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP CN1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CC2CC2)C1 ZINC001038138310 800060732 /nfs/dbraw/zinc/06/07/32/800060732.db2.gz VFEILFMVRAMKCS-QWHCGFSZSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC2CC2)C1 ZINC001038138310 800060737 /nfs/dbraw/zinc/06/07/37/800060737.db2.gz VFEILFMVRAMKCS-QWHCGFSZSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC2CC2)C1 ZINC001038138310 800060742 /nfs/dbraw/zinc/06/07/42/800060742.db2.gz VFEILFMVRAMKCS-QWHCGFSZSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CC2CC2)C1 ZINC001038138310 800060756 /nfs/dbraw/zinc/06/07/56/800060756.db2.gz VFEILFMVRAMKCS-QWHCGFSZSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCO)CC[N@@H+]1C ZINC001038629528 801229439 /nfs/dbraw/zinc/22/94/39/801229439.db2.gz HQUUYKTUKRQWJT-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCO)CC[N@H+]1C ZINC001038629528 801229446 /nfs/dbraw/zinc/22/94/46/801229446.db2.gz HQUUYKTUKRQWJT-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCO)CC[NH+]1C ZINC001038629528 801229454 /nfs/dbraw/zinc/22/94/54/801229454.db2.gz HQUUYKTUKRQWJT-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCO)CC[NH+]1C ZINC001038629528 801229460 /nfs/dbraw/zinc/22/94/60/801229460.db2.gz HQUUYKTUKRQWJT-AVGNSLFASA-N 2 1 269.389 -0.101 20 0 CBADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1C[NH+](CCCO)C1 ZINC001042726938 801513313 /nfs/dbraw/zinc/51/33/13/801513313.db2.gz FPSFKYSYMMNMOD-CQSZACIVSA-N 2 1 281.400 -0.147 20 0 CBADMP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001045528758 801701199 /nfs/dbraw/zinc/70/11/99/801701199.db2.gz CTCPXPXZDKFJNX-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001045528758 801701201 /nfs/dbraw/zinc/70/12/01/801701201.db2.gz CTCPXPXZDKFJNX-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045639646 801708534 /nfs/dbraw/zinc/70/85/34/801708534.db2.gz ONHQRPKDPHFFKR-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001045741241 801710933 /nfs/dbraw/zinc/71/09/33/801710933.db2.gz BWMPGRKWLBOFRF-HZSPNIEDSA-N 2 1 297.399 -0.625 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001045741241 801710938 /nfs/dbraw/zinc/71/09/38/801710938.db2.gz BWMPGRKWLBOFRF-HZSPNIEDSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001045741241 801710943 /nfs/dbraw/zinc/71/09/43/801710943.db2.gz BWMPGRKWLBOFRF-HZSPNIEDSA-N 2 1 297.399 -0.625 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001045741241 801710947 /nfs/dbraw/zinc/71/09/47/801710947.db2.gz BWMPGRKWLBOFRF-HZSPNIEDSA-N 2 1 297.399 -0.625 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)C1 ZINC001045891500 801715201 /nfs/dbraw/zinc/71/52/01/801715201.db2.gz USNJVIYCXYVDDV-XQQFMLRXSA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)C1 ZINC001045891500 801715206 /nfs/dbraw/zinc/71/52/06/801715206.db2.gz USNJVIYCXYVDDV-XQQFMLRXSA-N 2 1 294.399 -0.511 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)C1 ZINC001045891500 801715208 /nfs/dbraw/zinc/71/52/08/801715208.db2.gz USNJVIYCXYVDDV-XQQFMLRXSA-N 2 1 294.399 -0.511 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)C1 ZINC001045891500 801715213 /nfs/dbraw/zinc/71/52/13/801715213.db2.gz USNJVIYCXYVDDV-XQQFMLRXSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+](CCO)C1 ZINC001046777047 801793357 /nfs/dbraw/zinc/79/33/57/801793357.db2.gz PLUJGMMRMKWJAP-CYBMUJFWSA-N 2 1 267.373 -0.345 20 0 CBADMP C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+](CCO)C1 ZINC001046777048 801793540 /nfs/dbraw/zinc/79/35/40/801793540.db2.gz PLUJGMMRMKWJAP-ZDUSSCGKSA-N 2 1 267.373 -0.345 20 0 CBADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047324696 801833171 /nfs/dbraw/zinc/83/31/71/801833171.db2.gz UVVWPWPPIXFXQS-IHRRRGAJSA-N 2 1 281.400 -0.006 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001047324696 801833175 /nfs/dbraw/zinc/83/31/75/801833175.db2.gz UVVWPWPPIXFXQS-IHRRRGAJSA-N 2 1 281.400 -0.006 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001047324696 801833182 /nfs/dbraw/zinc/83/31/82/801833182.db2.gz UVVWPWPPIXFXQS-IHRRRGAJSA-N 2 1 281.400 -0.006 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047383751 801857777 /nfs/dbraw/zinc/85/77/77/801857777.db2.gz ORPZMHDABRUMRM-RDBSUJKOSA-N 2 1 281.400 -0.148 20 0 CBADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047428653 801868034 /nfs/dbraw/zinc/86/80/34/801868034.db2.gz GEQKWPKJMZRWMW-IHRRRGAJSA-N 2 1 299.415 -0.643 20 0 CBADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047428653 801868037 /nfs/dbraw/zinc/86/80/37/801868037.db2.gz GEQKWPKJMZRWMW-IHRRRGAJSA-N 2 1 299.415 -0.643 20 0 CBADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047428653 801868043 /nfs/dbraw/zinc/86/80/43/801868043.db2.gz GEQKWPKJMZRWMW-IHRRRGAJSA-N 2 1 299.415 -0.643 20 0 CBADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047428653 801868046 /nfs/dbraw/zinc/86/80/46/801868046.db2.gz GEQKWPKJMZRWMW-IHRRRGAJSA-N 2 1 299.415 -0.643 20 0 CBADMP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001047428572 801868195 /nfs/dbraw/zinc/86/81/95/801868195.db2.gz DTAABCORWKGQIC-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001047428572 801868201 /nfs/dbraw/zinc/86/82/01/801868201.db2.gz DTAABCORWKGQIC-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001047428572 801868203 /nfs/dbraw/zinc/86/82/03/801868203.db2.gz DTAABCORWKGQIC-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001047428572 801868207 /nfs/dbraw/zinc/86/82/07/801868207.db2.gz DTAABCORWKGQIC-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047483169 801882304 /nfs/dbraw/zinc/88/23/04/801882304.db2.gz ZSENVTJONZMBFA-STQMWFEESA-N 2 1 299.415 -0.643 20 0 CBADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047483169 801882311 /nfs/dbraw/zinc/88/23/11/801882311.db2.gz ZSENVTJONZMBFA-STQMWFEESA-N 2 1 299.415 -0.643 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001047527310 801893186 /nfs/dbraw/zinc/89/31/86/801893186.db2.gz BWWCHGZBHPZSGM-RDBSUJKOSA-N 2 1 299.415 -0.786 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2C[N@H+](CCCO)C[C@@H]2O)C1 ZINC001047527310 801893194 /nfs/dbraw/zinc/89/31/94/801893194.db2.gz BWWCHGZBHPZSGM-RDBSUJKOSA-N 2 1 299.415 -0.786 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001047527310 801893201 /nfs/dbraw/zinc/89/32/01/801893201.db2.gz BWWCHGZBHPZSGM-RDBSUJKOSA-N 2 1 299.415 -0.786 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001047528726 801894616 /nfs/dbraw/zinc/89/46/16/801894616.db2.gz YWIQAZRLJGOSCQ-AVGNSLFASA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047597829 801908383 /nfs/dbraw/zinc/90/83/83/801908383.db2.gz HQFUPCUVOJIFAZ-RDBSUJKOSA-N 2 1 299.415 -0.786 20 0 CBADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047597829 801908388 /nfs/dbraw/zinc/90/83/88/801908388.db2.gz HQFUPCUVOJIFAZ-RDBSUJKOSA-N 2 1 299.415 -0.786 20 0 CBADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047597829 801908392 /nfs/dbraw/zinc/90/83/92/801908392.db2.gz HQFUPCUVOJIFAZ-RDBSUJKOSA-N 2 1 299.415 -0.786 20 0 CBADMP CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047629157 801914056 /nfs/dbraw/zinc/91/40/56/801914056.db2.gz RZFSNMCABFFTGS-AVGNSLFASA-N 2 1 269.389 -0.150 20 0 CBADMP CC(C)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001047629157 801914058 /nfs/dbraw/zinc/91/40/58/801914058.db2.gz RZFSNMCABFFTGS-AVGNSLFASA-N 2 1 269.389 -0.150 20 0 CBADMP CC(C)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047629157 801914060 /nfs/dbraw/zinc/91/40/60/801914060.db2.gz RZFSNMCABFFTGS-AVGNSLFASA-N 2 1 269.389 -0.150 20 0 CBADMP COCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740295 801960777 /nfs/dbraw/zinc/96/07/77/801960777.db2.gz YFEBLOTZWKUBAW-HZSPNIEDSA-N 2 1 297.399 -0.646 20 0 CBADMP COCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740295 801960786 /nfs/dbraw/zinc/96/07/86/801960786.db2.gz YFEBLOTZWKUBAW-HZSPNIEDSA-N 2 1 297.399 -0.646 20 0 CBADMP COCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048740295 801960794 /nfs/dbraw/zinc/96/07/94/801960794.db2.gz YFEBLOTZWKUBAW-HZSPNIEDSA-N 2 1 297.399 -0.646 20 0 CBADMP COCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048740295 801960801 /nfs/dbraw/zinc/96/08/01/801960801.db2.gz YFEBLOTZWKUBAW-HZSPNIEDSA-N 2 1 297.399 -0.646 20 0 CBADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)[NH+](C)C ZINC001048875818 801975813 /nfs/dbraw/zinc/97/58/13/801975813.db2.gz OVVUVJNRIYZBDG-SCRDCRAPSA-N 2 1 296.415 -0.552 20 0 CBADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)[NH+](C)C ZINC001049039131 801993938 /nfs/dbraw/zinc/99/39/38/801993938.db2.gz OVVUVJNRIYZBDG-MBNYWOFBSA-N 2 1 296.415 -0.552 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001049058397 801994636 /nfs/dbraw/zinc/99/46/36/801994636.db2.gz XVDRYRIJULPRFV-RWMBFGLXSA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001049058397 801994640 /nfs/dbraw/zinc/99/46/40/801994640.db2.gz XVDRYRIJULPRFV-RWMBFGLXSA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049058397 801994644 /nfs/dbraw/zinc/99/46/44/801994644.db2.gz XVDRYRIJULPRFV-RWMBFGLXSA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049059486 801996429 /nfs/dbraw/zinc/99/64/29/801996429.db2.gz RHPCUZJGIKGWNY-UPJWGTAASA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049059486 801996434 /nfs/dbraw/zinc/99/64/34/801996434.db2.gz RHPCUZJGIKGWNY-UPJWGTAASA-N 2 1 294.399 -0.796 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049059486 801996436 /nfs/dbraw/zinc/99/64/36/801996436.db2.gz RHPCUZJGIKGWNY-UPJWGTAASA-N 2 1 294.399 -0.796 20 0 CBADMP 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 802005369 /nfs/dbraw/zinc/00/53/69/802005369.db2.gz CLBXVPKQTLGLDD-LPWJVIDDSA-N 2 1 294.399 -0.798 20 0 CBADMP C[C@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049212588 802005378 /nfs/dbraw/zinc/00/53/78/802005378.db2.gz CLBXVPKQTLGLDD-LPWJVIDDSA-N 2 1 294.399 -0.798 20 0 CBADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049214975 802007856 /nfs/dbraw/zinc/00/78/56/802007856.db2.gz DVVFVVWJDYHJOL-OKILXGFUSA-N 2 1 281.400 -0.145 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(N)=O)[NH+](C)C ZINC001049549366 802027162 /nfs/dbraw/zinc/02/71/62/802027162.db2.gz HQLUJLPAEGHLHN-UPJWGTAASA-N 2 1 296.415 -0.123 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(N)=O)[NH+](C)C ZINC001049549366 802027168 /nfs/dbraw/zinc/02/71/68/802027168.db2.gz HQLUJLPAEGHLHN-UPJWGTAASA-N 2 1 296.415 -0.123 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O)[NH+](C)C ZINC001049726979 802037667 /nfs/dbraw/zinc/03/76/67/802037667.db2.gz HQLUJLPAEGHLHN-YNEHKIRRSA-N 2 1 296.415 -0.123 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O)[NH+](C)C ZINC001049726979 802037670 /nfs/dbraw/zinc/03/76/70/802037670.db2.gz HQLUJLPAEGHLHN-YNEHKIRRSA-N 2 1 296.415 -0.123 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCO)C1 ZINC001049894678 802043950 /nfs/dbraw/zinc/04/39/50/802043950.db2.gz GTHUSVWLGFQWDV-BFHYXJOUSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCO)C1 ZINC001049894678 802043956 /nfs/dbraw/zinc/04/39/56/802043956.db2.gz GTHUSVWLGFQWDV-BFHYXJOUSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCO)C1 ZINC001049894678 802043964 /nfs/dbraw/zinc/04/39/64/802043964.db2.gz GTHUSVWLGFQWDV-BFHYXJOUSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](C[NH2+]CC3CC3)C2)C1 ZINC001051513644 802149852 /nfs/dbraw/zinc/14/98/52/802149852.db2.gz DPDFTLWXTHDRNG-ZIAGYGMSSA-N 2 1 297.399 -0.456 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](C[NH2+]CC3CC3)C2)C1 ZINC001051513644 802149855 /nfs/dbraw/zinc/14/98/55/802149855.db2.gz DPDFTLWXTHDRNG-ZIAGYGMSSA-N 2 1 297.399 -0.456 20 0 CBADMP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680542 802158288 /nfs/dbraw/zinc/15/82/88/802158288.db2.gz OJWLLKXGOJYKJA-HZSPNIEDSA-N 2 1 299.415 -0.069 20 0 CBADMP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680542 802158292 /nfs/dbraw/zinc/15/82/92/802158292.db2.gz OJWLLKXGOJYKJA-HZSPNIEDSA-N 2 1 299.415 -0.069 20 0 CBADMP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051931469 802172670 /nfs/dbraw/zinc/17/26/70/802172670.db2.gz BLPREJWZTUQMNW-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052713554 802214389 /nfs/dbraw/zinc/21/43/89/802214389.db2.gz ZUIYIAYXJCGWGC-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)C1 ZINC001052713554 802214396 /nfs/dbraw/zinc/21/43/96/802214396.db2.gz ZUIYIAYXJCGWGC-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC001052713554 802214400 /nfs/dbraw/zinc/21/44/00/802214400.db2.gz ZUIYIAYXJCGWGC-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052713556 802215816 /nfs/dbraw/zinc/21/58/16/802215816.db2.gz ZUIYIAYXJCGWGC-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)C1 ZINC001052713556 802215822 /nfs/dbraw/zinc/21/58/22/802215822.db2.gz ZUIYIAYXJCGWGC-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC001052713556 802215825 /nfs/dbraw/zinc/21/58/25/802215825.db2.gz ZUIYIAYXJCGWGC-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001054296981 802333513 /nfs/dbraw/zinc/33/35/13/802333513.db2.gz ZVMHWDAPSPBQDS-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]CCO)[C@@H](C)C1 ZINC001054907586 802379381 /nfs/dbraw/zinc/37/93/81/802379381.db2.gz YQHVAPZXESLNHT-JQWIXIFHSA-N 2 1 266.345 -0.380 20 0 CBADMP CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055483110 802395679 /nfs/dbraw/zinc/39/56/79/802395679.db2.gz NQISZQPCEKTNCP-CQSZACIVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148215603 814933801 /nfs/dbraw/zinc/93/38/01/814933801.db2.gz CJZDYEBSLCAQDJ-UHFFFAOYSA-N 2 1 255.362 -0.535 20 0 CBADMP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001148216719 814934000 /nfs/dbraw/zinc/93/40/00/814934000.db2.gz RKSJJPHLMSCEBV-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001148210739 814934531 /nfs/dbraw/zinc/93/45/31/814934531.db2.gz UGNVJDLOZWAVPU-UHFFFAOYSA-N 2 1 299.415 -0.519 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1 ZINC001118043996 812465777 /nfs/dbraw/zinc/46/57/77/812465777.db2.gz YDIPBDJDCUATNJ-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP COCCOCC[NH+]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001119619254 812836905 /nfs/dbraw/zinc/83/69/05/812836905.db2.gz XKUGPQMCKSNACD-IHRRRGAJSA-N 2 1 287.404 -0.882 20 0 CBADMP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC(F)(F)C[NH3+] ZINC001122015790 813105081 /nfs/dbraw/zinc/10/50/81/813105081.db2.gz SWBQLVSELZJQDF-IUCAKERBSA-N 2 1 262.304 -0.915 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC(F)(F)C[NH3+] ZINC001122015790 813105084 /nfs/dbraw/zinc/10/50/84/813105084.db2.gz SWBQLVSELZJQDF-IUCAKERBSA-N 2 1 262.304 -0.915 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1=CC[NH2+]CC1 ZINC001122015280 813105226 /nfs/dbraw/zinc/10/52/26/813105226.db2.gz MLBXNJAMPCNYMH-WCQYABFASA-N 2 1 264.373 -0.589 20 0 CBADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]2[NH2+]CCc3occc32)CCO1 ZINC001122014792 813105411 /nfs/dbraw/zinc/10/54/11/813105411.db2.gz HLEIADPRADUPOB-JOYOIKCWSA-N 2 1 265.313 -0.348 20 0 CBADMP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001122450050 813166428 /nfs/dbraw/zinc/16/64/28/813166428.db2.gz ZJENEJCEQIUVGS-DRZSPHRISA-N 2 1 266.389 -0.216 20 0 CBADMP C[NH2+]C1CC(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001122449044 813167409 /nfs/dbraw/zinc/16/74/09/813167409.db2.gz RGVDADCHSCQIEQ-WTIISPKJSA-N 2 1 268.405 -0.265 20 0 CBADMP C[C@@H](C(=O)N[C@H]1C[NH2+]CC12CC2)N1CC[NH+](C)CC1 ZINC001122499782 813172015 /nfs/dbraw/zinc/17/20/15/813172015.db2.gz ZXTDNYDZDIDBDQ-RYUDHWBXSA-N 2 1 266.389 -0.510 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133345369 814246072 /nfs/dbraw/zinc/24/60/72/814246072.db2.gz BFMAEMXEOUSFCU-STQMWFEESA-N 2 1 298.431 -0.114 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133345368 814246167 /nfs/dbraw/zinc/24/61/67/814246167.db2.gz BFMAEMXEOUSFCU-QWHCGFSZSA-N 2 1 298.431 -0.114 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133842536 814305005 /nfs/dbraw/zinc/30/50/05/814305005.db2.gz UTZBPRPRHLWYLP-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133842415 814305415 /nfs/dbraw/zinc/30/54/15/814305415.db2.gz PEGIMOVJHAHJLG-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133842415 814305423 /nfs/dbraw/zinc/30/54/23/814305423.db2.gz PEGIMOVJHAHJLG-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[C@@H](C(=O)NCC[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001133983004 814333342 /nfs/dbraw/zinc/33/33/42/814333342.db2.gz UCTUKXNEBPRBCS-JTQLQIEISA-N 2 1 268.365 -0.639 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001148469650 814947473 /nfs/dbraw/zinc/94/74/73/814947473.db2.gz PXVUXGBICRPGHD-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001148469650 814947478 /nfs/dbraw/zinc/94/74/78/814947478.db2.gz PXVUXGBICRPGHD-UHFFFAOYSA-N 2 1 282.388 -0.652 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001148570787 814950488 /nfs/dbraw/zinc/95/04/88/814950488.db2.gz LZEDGRZXLIPRNQ-UHFFFAOYSA-N 2 1 284.404 -0.297 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NCC ZINC001148570372 814950869 /nfs/dbraw/zinc/95/08/69/814950869.db2.gz BVDSOCAQOGWDPM-UHFFFAOYSA-N 2 1 272.393 -0.440 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cnnn1C ZINC001148571090 814951753 /nfs/dbraw/zinc/95/17/53/814951753.db2.gz VUFKMBNBKBIBKV-UHFFFAOYSA-N 2 1 282.392 -0.247 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001148638621 814954444 /nfs/dbraw/zinc/95/44/44/814954444.db2.gz KCLQSJZFHKBCIW-UHFFFAOYSA-N 2 1 258.366 -0.878 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@@H](C)C(N)=O)C2 ZINC001148652217 814955711 /nfs/dbraw/zinc/95/57/11/814955711.db2.gz ZWNZHAXXPAGIKQ-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(N)=O)C2 ZINC001148652217 814955715 /nfs/dbraw/zinc/95/57/15/814955715.db2.gz ZWNZHAXXPAGIKQ-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(N)=O)C2 ZINC001148652217 814955719 /nfs/dbraw/zinc/95/57/19/814955719.db2.gz ZWNZHAXXPAGIKQ-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001321740315 803808980 /nfs/dbraw/zinc/80/89/80/803808980.db2.gz VZYOVSYPXAZQTQ-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP COCCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001321811428 803819526 /nfs/dbraw/zinc/81/95/26/803819526.db2.gz FJNGNMYZORNVRK-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP COCCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001321811428 803819535 /nfs/dbraw/zinc/81/95/35/803819535.db2.gz FJNGNMYZORNVRK-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP Cc1nc[nH]c1CC(=O)NC[C@H]1CC[N@@H+]1C[C@H](C)O ZINC001323340057 804011993 /nfs/dbraw/zinc/01/19/93/804011993.db2.gz LAKCYKSMDHMLQB-GXSJLCMTSA-N 2 1 266.345 -0.168 20 0 CBADMP Cc1nc[nH]c1CC(=O)NC[C@H]1CCN1C[C@H](C)O ZINC001323340057 804011998 /nfs/dbraw/zinc/01/19/98/804011998.db2.gz LAKCYKSMDHMLQB-GXSJLCMTSA-N 2 1 266.345 -0.168 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1C[C@@H](C)O ZINC001323359078 804015682 /nfs/dbraw/zinc/01/56/82/804015682.db2.gz ZBFGFOVCDVBINS-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C[C@@H](C)O ZINC001323359078 804015692 /nfs/dbraw/zinc/01/56/92/804015692.db2.gz ZBFGFOVCDVBINS-NEPJUHHUSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)OCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001323411137 804023152 /nfs/dbraw/zinc/02/31/52/804023152.db2.gz HROSYZRASIJJTE-CYBMUJFWSA-N 2 1 299.415 -0.020 20 0 CBADMP CC(C)OCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001323411137 804023155 /nfs/dbraw/zinc/02/31/55/804023155.db2.gz HROSYZRASIJJTE-CYBMUJFWSA-N 2 1 299.415 -0.020 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC001325745595 804311635 /nfs/dbraw/zinc/31/16/35/804311635.db2.gz KRMWZDBTKIRYPK-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150241152 815022267 /nfs/dbraw/zinc/02/22/67/815022267.db2.gz MMIJUOJONDZGAY-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[NH+](CCO)CCCO1 ZINC001150547554 815034898 /nfs/dbraw/zinc/03/48/98/815034898.db2.gz VUNVNPTYXVZWFY-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001150547554 815034905 /nfs/dbraw/zinc/03/49/05/815034905.db2.gz VUNVNPTYXVZWFY-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150547554 815034913 /nfs/dbraw/zinc/03/49/13/815034913.db2.gz VUNVNPTYXVZWFY-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001151043648 815051533 /nfs/dbraw/zinc/05/15/33/815051533.db2.gz INHUJOXVAOSKQX-NSHDSACASA-N 2 1 284.404 -0.441 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048581 815051588 /nfs/dbraw/zinc/05/15/88/815051588.db2.gz CBZQQIIIUOCYMD-LLVKDONJSA-N 2 1 270.377 -0.832 20 0 CBADMP CCCn1ncnc1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049196 815052234 /nfs/dbraw/zinc/05/22/34/815052234.db2.gz JVPPGWJPVGSREX-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CCCn1ncnc1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049196 815052239 /nfs/dbraw/zinc/05/22/39/815052239.db2.gz JVPPGWJPVGSREX-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001151043647 815052770 /nfs/dbraw/zinc/05/27/70/815052770.db2.gz INHUJOXVAOSKQX-LLVKDONJSA-N 2 1 284.404 -0.441 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ccon2)C1 ZINC001151049032 815053117 /nfs/dbraw/zinc/05/31/17/815053117.db2.gz HULGDUNZNRZRMF-SNVBAGLBSA-N 2 1 252.318 -0.168 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ccon2)C1 ZINC001151049032 815053125 /nfs/dbraw/zinc/05/31/25/815053125.db2.gz HULGDUNZNRZRMF-SNVBAGLBSA-N 2 1 252.318 -0.168 20 0 CBADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049199 815053462 /nfs/dbraw/zinc/05/34/62/815053462.db2.gz JYMLRKZKTHSJOV-GFCCVEGCSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151064649 815053850 /nfs/dbraw/zinc/05/38/50/815053850.db2.gz CNYZYWSBIWBBSZ-QWHCGFSZSA-N 2 1 298.431 -0.101 20 0 CBADMP Cc1noc(CCC[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151049584 815054342 /nfs/dbraw/zinc/05/43/42/815054342.db2.gz SQRKUFWQXSKXEP-LBPRGKRZSA-N 2 1 295.387 -0.032 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCCC2)C1 ZINC001151049593 815054859 /nfs/dbraw/zinc/05/48/59/815054859.db2.gz SVZCOBLNMBABTO-LBPRGKRZSA-N 2 1 296.415 -0.297 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ncnn2CCF)C1 ZINC001151049587 815055287 /nfs/dbraw/zinc/05/52/87/815055287.db2.gz SUGSFALPHZAZDK-LLVKDONJSA-N 2 1 298.366 -0.595 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ncnn2CCF)C1 ZINC001151049587 815055295 /nfs/dbraw/zinc/05/52/95/815055295.db2.gz SUGSFALPHZAZDK-LLVKDONJSA-N 2 1 298.366 -0.595 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001151065520 815056875 /nfs/dbraw/zinc/05/68/75/815056875.db2.gz KRVKOCNDQNBAPV-LBPRGKRZSA-N 2 1 291.399 -0.013 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001151065520 815056882 /nfs/dbraw/zinc/05/68/82/815056882.db2.gz KRVKOCNDQNBAPV-LBPRGKRZSA-N 2 1 291.399 -0.013 20 0 CBADMP C[C@H](O)CCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065137 815055532 /nfs/dbraw/zinc/05/55/32/815055532.db2.gz GZPHMXMTESZCLN-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001151066782 815055963 /nfs/dbraw/zinc/05/59/63/815055963.db2.gz YRXDHVAPSSQLIF-NSHDSACASA-N 2 1 291.417 -0.921 20 0 CBADMP CCn1nc(C)c(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151065475 815056055 /nfs/dbraw/zinc/05/60/55/815056055.db2.gz KBJYLWVNTVGQFL-GFCCVEGCSA-N 2 1 294.403 -0.236 20 0 CBADMP CCn1nc(C)c(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151065475 815056064 /nfs/dbraw/zinc/05/60/64/815056064.db2.gz KBJYLWVNTVGQFL-GFCCVEGCSA-N 2 1 294.403 -0.236 20 0 CBADMP CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151066155 815057241 /nfs/dbraw/zinc/05/72/41/815057241.db2.gz RBQQVDHDBHKDIP-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H]2CCOC2)C1 ZINC001151065843 815058053 /nfs/dbraw/zinc/05/80/53/815058053.db2.gz NPYDRZXNBYEXGR-NEPJUHHUSA-N 2 1 255.362 -0.320 20 0 CBADMP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065842 815058113 /nfs/dbraw/zinc/05/81/13/815058113.db2.gz NMRIRAHDOUHSDI-LBPRGKRZSA-N 2 1 299.419 -0.649 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001151066088 815058140 /nfs/dbraw/zinc/05/81/40/815058140.db2.gz PRTYTVZEMHOAHI-LBPRGKRZSA-N 2 1 282.388 -0.734 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001151115648 815061720 /nfs/dbraw/zinc/06/17/20/815061720.db2.gz ZKODYYBQAQETJX-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP CCc1nnc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)n1C ZINC001151114838 815062657 /nfs/dbraw/zinc/06/26/57/815062657.db2.gz QJFDQSPZOUSVPG-UHFFFAOYSA-N 2 1 294.403 -0.321 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147573 815063004 /nfs/dbraw/zinc/06/30/04/815063004.db2.gz RIIFIDQXWWZPDT-UHFFFAOYSA-N 2 1 267.333 -0.967 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151141696 815063549 /nfs/dbraw/zinc/06/35/49/815063549.db2.gz ZTFDLIRLPWMOLF-UHFFFAOYSA-N 2 1 281.360 -0.624 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001151121582 815063698 /nfs/dbraw/zinc/06/36/98/815063698.db2.gz ILYJQFKGAPCCDB-GFCCVEGCSA-N 2 1 266.345 -0.066 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCCO)C2 ZINC001072541813 805308904 /nfs/dbraw/zinc/30/89/04/805308904.db2.gz DTLBFSPXKGACJW-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001072541813 805308913 /nfs/dbraw/zinc/30/89/13/805308913.db2.gz DTLBFSPXKGACJW-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001072541813 805308923 /nfs/dbraw/zinc/30/89/23/805308923.db2.gz DTLBFSPXKGACJW-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP C[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001072553848 805312435 /nfs/dbraw/zinc/31/24/35/805312435.db2.gz LHLNRKFJFGNZPS-QWHCGFSZSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001072553848 805312446 /nfs/dbraw/zinc/31/24/46/805312446.db2.gz LHLNRKFJFGNZPS-QWHCGFSZSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001072553848 805312456 /nfs/dbraw/zinc/31/24/56/805312456.db2.gz LHLNRKFJFGNZPS-QWHCGFSZSA-N 2 1 281.400 -0.004 20 0 CBADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072741076 805334551 /nfs/dbraw/zinc/33/45/51/805334551.db2.gz WNHWXNRNXPOXFS-AWEZNQCLSA-N 2 1 293.411 -0.145 20 0 CBADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC)C2)[NH+](C)C ZINC001072990678 805352961 /nfs/dbraw/zinc/35/29/61/805352961.db2.gz CNTNBSNFRJAOKR-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC)C2)[NH+](C)C ZINC001072990678 805352971 /nfs/dbraw/zinc/35/29/71/805352971.db2.gz CNTNBSNFRJAOKR-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001073127841 805362578 /nfs/dbraw/zinc/36/25/78/805362578.db2.gz IPSUEMANVVGYOS-ZDUSSCGKSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC3(C2)CC[N@H+](CCO)C3)C1 ZINC001073127841 805362585 /nfs/dbraw/zinc/36/25/85/805362585.db2.gz IPSUEMANVVGYOS-ZDUSSCGKSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1 ZINC001073127841 805362593 /nfs/dbraw/zinc/36/25/93/805362593.db2.gz IPSUEMANVVGYOS-ZDUSSCGKSA-N 2 1 281.400 -0.145 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CCCO)C3)C1 ZINC001073425673 805367174 /nfs/dbraw/zinc/36/71/74/805367174.db2.gz DIUKDQXXDSZVFL-ZDUSSCGKSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC3(C2)CC[N@H+](CCCO)C3)C1 ZINC001073425673 805367179 /nfs/dbraw/zinc/36/71/79/805367179.db2.gz DIUKDQXXDSZVFL-ZDUSSCGKSA-N 2 1 281.400 -0.145 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCCO)C3)C1 ZINC001073425673 805367188 /nfs/dbraw/zinc/36/71/88/805367188.db2.gz DIUKDQXXDSZVFL-ZDUSSCGKSA-N 2 1 281.400 -0.145 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073426012 805367629 /nfs/dbraw/zinc/36/76/29/805367629.db2.gz NYJMHLNEOYKBGX-VXGBXAGGSA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001073426012 805367636 /nfs/dbraw/zinc/36/76/36/805367636.db2.gz NYJMHLNEOYKBGX-VXGBXAGGSA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426012 805367643 /nfs/dbraw/zinc/36/76/43/805367643.db2.gz NYJMHLNEOYKBGX-VXGBXAGGSA-N 2 1 294.399 -0.654 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001073443101 805369614 /nfs/dbraw/zinc/36/96/14/805369614.db2.gz AXDNLWCEHRZMNN-CYBMUJFWSA-N 2 1 297.399 -0.766 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001073443101 805369624 /nfs/dbraw/zinc/36/96/24/805369624.db2.gz AXDNLWCEHRZMNN-CYBMUJFWSA-N 2 1 297.399 -0.766 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCO)C3)C1 ZINC001073443101 805369633 /nfs/dbraw/zinc/36/96/33/805369633.db2.gz AXDNLWCEHRZMNN-CYBMUJFWSA-N 2 1 297.399 -0.766 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1 ZINC001073443101 805369642 /nfs/dbraw/zinc/36/96/42/805369642.db2.gz AXDNLWCEHRZMNN-CYBMUJFWSA-N 2 1 297.399 -0.766 20 0 CBADMP COCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073554392 805386220 /nfs/dbraw/zinc/38/62/20/805386220.db2.gz GZYQJKFWNVQMSQ-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001073554392 805386228 /nfs/dbraw/zinc/38/62/28/805386228.db2.gz GZYQJKFWNVQMSQ-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001073554392 805386237 /nfs/dbraw/zinc/38/62/37/805386237.db2.gz GZYQJKFWNVQMSQ-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](CCO)CCCO1 ZINC001073661658 805404204 /nfs/dbraw/zinc/40/42/04/805404204.db2.gz BLSNOCINWVQCAG-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001073661658 805404210 /nfs/dbraw/zinc/40/42/10/805404210.db2.gz BLSNOCINWVQCAG-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001073661658 805404213 /nfs/dbraw/zinc/40/42/13/805404213.db2.gz BLSNOCINWVQCAG-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073661065 805404664 /nfs/dbraw/zinc/40/46/64/805404664.db2.gz VMNZTMJPQYACTI-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073661065 805404667 /nfs/dbraw/zinc/40/46/67/805404667.db2.gz VMNZTMJPQYACTI-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073661065 805404672 /nfs/dbraw/zinc/40/46/72/805404672.db2.gz VMNZTMJPQYACTI-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073661065 805404674 /nfs/dbraw/zinc/40/46/74/805404674.db2.gz VMNZTMJPQYACTI-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001074648828 805464001 /nfs/dbraw/zinc/46/40/01/805464001.db2.gz JKYPTPQKMBUTFH-AVGNSLFASA-N 2 1 296.415 -0.077 20 0 CBADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C)C(N)=O ZINC001074803949 805473372 /nfs/dbraw/zinc/47/33/72/805473372.db2.gz WXPHQLXXRWWOFS-ZDEQEGDKSA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001074877503 805476039 /nfs/dbraw/zinc/47/60/39/805476039.db2.gz CDPRDGGMUKKALH-WOPDTQHZSA-N 2 1 282.388 -0.465 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)COC)C1 ZINC001151740912 815089267 /nfs/dbraw/zinc/08/92/67/815089267.db2.gz ZJHMDCSERMOZII-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)COC)C1 ZINC001151740912 815089272 /nfs/dbraw/zinc/08/92/72/815089272.db2.gz ZJHMDCSERMOZII-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cncn2C)C1 ZINC001151749341 815092686 /nfs/dbraw/zinc/09/26/86/815092686.db2.gz VOYSMUAGYKVGCQ-ZDUSSCGKSA-N 2 1 295.387 -0.653 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cncn2C)C1 ZINC001151749341 815092690 /nfs/dbraw/zinc/09/26/90/815092690.db2.gz VOYSMUAGYKVGCQ-ZDUSSCGKSA-N 2 1 295.387 -0.653 20 0 CBADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001152137866 815106832 /nfs/dbraw/zinc/10/68/32/815106832.db2.gz QBUCSTFUMSONIF-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340710 815117039 /nfs/dbraw/zinc/11/70/39/815117039.db2.gz VGWZWWRUOZUUIQ-UHFFFAOYSA-N 2 1 294.403 -0.103 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152439464 815120757 /nfs/dbraw/zinc/12/07/57/815120757.db2.gz NJWUDLSALGKSFU-UHFFFAOYSA-N 2 1 272.393 -0.443 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001152426621 815120935 /nfs/dbraw/zinc/12/09/35/815120935.db2.gz JOHDQJWEWDCNJM-SNVBAGLBSA-N 2 1 283.380 -0.683 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001152426621 815120939 /nfs/dbraw/zinc/12/09/39/815120939.db2.gz JOHDQJWEWDCNJM-SNVBAGLBSA-N 2 1 283.380 -0.683 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001152426712 815121575 /nfs/dbraw/zinc/12/15/75/815121575.db2.gz LPWIRRPSKGSYBJ-LLVKDONJSA-N 2 1 282.392 -0.078 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001152426712 815121579 /nfs/dbraw/zinc/12/15/79/815121579.db2.gz LPWIRRPSKGSYBJ-LLVKDONJSA-N 2 1 282.392 -0.078 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001152445566 815122762 /nfs/dbraw/zinc/12/27/62/815122762.db2.gz JHQREJSVJCFCTJ-ZDUSSCGKSA-N 2 1 297.403 -0.710 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001152452098 815123185 /nfs/dbraw/zinc/12/31/85/815123185.db2.gz SDTIMZWZVIUPSP-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001152451785 815123317 /nfs/dbraw/zinc/12/33/17/815123317.db2.gz HHVRCQYQYUTULB-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001152452023 815123320 /nfs/dbraw/zinc/12/33/20/815123320.db2.gz QBGXTUOUZXGEPH-SNVBAGLBSA-N 2 1 256.350 -0.948 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001152458019 815124363 /nfs/dbraw/zinc/12/43/63/815124363.db2.gz KTYIVQPKKDLNTB-NEPJUHHUSA-N 2 1 257.378 -0.053 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001152458169 815124692 /nfs/dbraw/zinc/12/46/92/815124692.db2.gz MBQZGDMAJKKKTE-CYBMUJFWSA-N 2 1 294.403 -0.142 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854767 815181942 /nfs/dbraw/zinc/18/19/42/815181942.db2.gz VSMPYMFLSHGHJX-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854767 815181948 /nfs/dbraw/zinc/18/19/48/815181948.db2.gz VSMPYMFLSHGHJX-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854767 815181955 /nfs/dbraw/zinc/18/19/55/815181955.db2.gz VSMPYMFLSHGHJX-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854767 815181958 /nfs/dbraw/zinc/18/19/58/815181958.db2.gz VSMPYMFLSHGHJX-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)C[C@H]1COCCN1c1ncnc2c1C[NH2+]C2 ZINC001154967294 815254017 /nfs/dbraw/zinc/25/40/17/815254017.db2.gz HKFQBVADHSWBKD-JTQLQIEISA-N 2 1 263.345 -0.153 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155227341 815271503 /nfs/dbraw/zinc/27/15/03/815271503.db2.gz ZQSSMNYQWQUUIF-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155227341 815271505 /nfs/dbraw/zinc/27/15/05/815271505.db2.gz ZQSSMNYQWQUUIF-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155227341 815271510 /nfs/dbraw/zinc/27/15/10/815271510.db2.gz ZQSSMNYQWQUUIF-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155227341 815271515 /nfs/dbraw/zinc/27/15/15/815271515.db2.gz ZQSSMNYQWQUUIF-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP Nc1nc(NCc2nnn3c2C[NH2+]CCC3)cc[nH+]1 ZINC001155398081 815281472 /nfs/dbraw/zinc/28/14/72/815281472.db2.gz VGCBJULQISDGGE-UHFFFAOYSA-N 2 1 260.305 -0.244 20 0 CBADMP O=C1COc2cc[nH+]c(NC[C@@]34C[NH2+][C@@H](CO3)C4)c2N1 ZINC001155541648 815291458 /nfs/dbraw/zinc/29/14/58/815291458.db2.gz NNXIBHNIOSGOTK-AMIZOPFISA-N 2 1 276.296 -0.045 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155791552 815312596 /nfs/dbraw/zinc/31/25/96/815312596.db2.gz WNOPZONICGXSOF-GFCCVEGCSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001155822605 815314452 /nfs/dbraw/zinc/31/44/52/815314452.db2.gz VSFYOQZCAQTTKW-WCQYABFASA-N 2 1 296.415 -0.156 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001155810925 815314616 /nfs/dbraw/zinc/31/46/16/815314616.db2.gz CONPFXCBJASBOY-GFCCVEGCSA-N 2 1 297.403 -0.798 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001155810447 815314632 /nfs/dbraw/zinc/31/46/32/815314632.db2.gz AXNAQVYHYDBLGO-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155812880 815315255 /nfs/dbraw/zinc/31/52/55/815315255.db2.gz OTGACXBUVUIZJO-WDEREUQCSA-N 2 1 270.377 -0.689 20 0 CBADMP CCn1cc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001155811796 815315298 /nfs/dbraw/zinc/31/52/98/815315298.db2.gz JPXMFBKYOPWYMO-CYBMUJFWSA-N 2 1 294.403 -0.012 20 0 CBADMP CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156124949 815339012 /nfs/dbraw/zinc/33/90/12/815339012.db2.gz CFSIVYKOIMOQMW-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156124949 815339019 /nfs/dbraw/zinc/33/90/19/815339019.db2.gz CFSIVYKOIMOQMW-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP COCCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156126233 815339076 /nfs/dbraw/zinc/33/90/76/815339076.db2.gz UOOPZTDLVFQGRL-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP COCCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156126233 815339081 /nfs/dbraw/zinc/33/90/81/815339081.db2.gz UOOPZTDLVFQGRL-CYBMUJFWSA-N 2 1 287.404 -0.161 20 0 CBADMP Cn1cncc1C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156146487 815340054 /nfs/dbraw/zinc/34/00/54/815340054.db2.gz ZNQWUKBJDUQFBS-ZDUSSCGKSA-N 2 1 295.387 -0.653 20 0 CBADMP Cn1cncc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156146487 815340061 /nfs/dbraw/zinc/34/00/61/815340061.db2.gz ZNQWUKBJDUQFBS-ZDUSSCGKSA-N 2 1 295.387 -0.653 20 0 CBADMP Cc1ncoc1C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156152689 815340168 /nfs/dbraw/zinc/34/01/68/815340168.db2.gz WHJWQWDKMUKJLK-ZDUSSCGKSA-N 2 1 296.371 -0.090 20 0 CBADMP Cc1ncoc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156152689 815340172 /nfs/dbraw/zinc/34/01/72/815340172.db2.gz WHJWQWDKMUKJLK-ZDUSSCGKSA-N 2 1 296.371 -0.090 20 0 CBADMP C[C@H](O)CCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156146297 815340190 /nfs/dbraw/zinc/34/01/90/815340190.db2.gz VJXDRJSBFBFWIC-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@H](O)CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156146297 815340196 /nfs/dbraw/zinc/34/01/96/815340196.db2.gz VJXDRJSBFBFWIC-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP Cn1nccc1C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156144520 815340799 /nfs/dbraw/zinc/34/07/99/815340799.db2.gz DSUUBUHHUUPERH-ZDUSSCGKSA-N 2 1 295.387 -0.653 20 0 CBADMP Cn1nccc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156144520 815340804 /nfs/dbraw/zinc/34/08/04/815340804.db2.gz DSUUBUHHUUPERH-ZDUSSCGKSA-N 2 1 295.387 -0.653 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCOC2CCC2)C1 ZINC001156145158 815341165 /nfs/dbraw/zinc/34/11/65/815341165.db2.gz IPJJKWXJPDBOSF-CQSZACIVSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCOC2CCC2)C1 ZINC001156145158 815341169 /nfs/dbraw/zinc/34/11/69/815341169.db2.gz IPJJKWXJPDBOSF-CQSZACIVSA-N 2 1 299.415 -0.018 20 0 CBADMP [NH3+][C@H]1CCN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C1 ZINC001156227141 815346979 /nfs/dbraw/zinc/34/69/79/815346979.db2.gz PTESANUCOUQSRB-JTQLQIEISA-N 2 1 290.371 -0.546 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086120131 810242558 /nfs/dbraw/zinc/24/25/58/810242558.db2.gz MOSIYURZTGPSSM-MEBFFEOJSA-N 2 1 299.415 -0.429 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086120131 810242565 /nfs/dbraw/zinc/24/25/65/810242565.db2.gz MOSIYURZTGPSSM-MEBFFEOJSA-N 2 1 299.415 -0.429 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086122635 810242652 /nfs/dbraw/zinc/24/26/52/810242652.db2.gz SAUNOEVAHDKUAE-XQQFMLRXSA-N 2 1 269.389 -0.053 20 0 CBADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1nnc2c(F)cccn12 ZINC001156338611 815354983 /nfs/dbraw/zinc/35/49/83/815354983.db2.gz CUZOBKSHEYGXPT-UHFFFAOYSA-N 2 1 293.306 -0.057 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086327433 810260323 /nfs/dbraw/zinc/26/03/23/810260323.db2.gz DUZZJJKOQIZKMI-FDYHWXHSSA-N 2 1 269.389 -0.054 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001086327893 810260691 /nfs/dbraw/zinc/26/06/91/810260691.db2.gz TTYQTFBAADPRSV-CYDGBPFRSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001086324552 810260768 /nfs/dbraw/zinc/26/07/68/810260768.db2.gz CSFVMNXUUGOETQ-BJDJZHNGSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086333371 810261735 /nfs/dbraw/zinc/26/17/35/810261735.db2.gz MQKNFSISLPDFFQ-FDYHWXHSSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086333371 810261739 /nfs/dbraw/zinc/26/17/39/810261739.db2.gz MQKNFSISLPDFFQ-FDYHWXHSSA-N 2 1 285.388 -0.818 20 0 CBADMP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001086372953 810265297 /nfs/dbraw/zinc/26/52/97/810265297.db2.gz FGWGCQOYSMELLK-SYQHCUMBSA-N 2 1 297.399 -0.674 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001086402223 810267364 /nfs/dbraw/zinc/26/73/64/810267364.db2.gz MUIDTEIIVKIPCB-ZDEQEGDKSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086476799 810273520 /nfs/dbraw/zinc/27/35/20/810273520.db2.gz DUZDDLLIMKLGNY-FDYHWXHSSA-N 2 1 269.389 -0.339 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001086551531 810278724 /nfs/dbraw/zinc/27/87/24/810278724.db2.gz DKELJUMRICMOOM-FDYHWXHSSA-N 2 1 296.415 -0.314 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374199 815357172 /nfs/dbraw/zinc/35/71/72/815357172.db2.gz MUFBFPIPMFKRSP-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374199 815357179 /nfs/dbraw/zinc/35/71/79/815357179.db2.gz MUFBFPIPMFKRSP-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156374199 815357186 /nfs/dbraw/zinc/35/71/86/815357186.db2.gz MUFBFPIPMFKRSP-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156374199 815357193 /nfs/dbraw/zinc/35/71/93/815357193.db2.gz MUFBFPIPMFKRSP-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086558889 810280210 /nfs/dbraw/zinc/28/02/10/810280210.db2.gz ZDHLEDKXORRMJG-JHJVBQTASA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086659150 810281916 /nfs/dbraw/zinc/28/19/16/810281916.db2.gz LTXGZVZEHOJRTK-TUAOUCFPSA-N 2 1 282.388 -0.560 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001086659855 810281929 /nfs/dbraw/zinc/28/19/29/810281929.db2.gz NVCNNJVGYLGZLL-YNEHKIRRSA-N 2 1 269.389 -0.053 20 0 CBADMP CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156389982 815357529 /nfs/dbraw/zinc/35/75/29/815357529.db2.gz CBHLFRYVNYBLJQ-CHWSQXEVSA-N 2 1 289.420 -0.228 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCO)C2)C1 ZINC001086879980 810287478 /nfs/dbraw/zinc/28/74/78/810287478.db2.gz HCQHLIHIFPCMOZ-BFHYXJOUSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCO)C2)C1 ZINC001086879980 810287482 /nfs/dbraw/zinc/28/74/82/810287482.db2.gz HCQHLIHIFPCMOZ-BFHYXJOUSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001087261904 810291529 /nfs/dbraw/zinc/29/15/29/810291529.db2.gz GDLGGFRXELLFKX-JTQLQIEISA-N 2 1 293.371 -0.140 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCOC ZINC001087529339 810295507 /nfs/dbraw/zinc/29/55/07/810295507.db2.gz CGOVZUTZXNCNRJ-BFHYXJOUSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCOC ZINC001087529339 810295510 /nfs/dbraw/zinc/29/55/10/810295510.db2.gz CGOVZUTZXNCNRJ-BFHYXJOUSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCOC ZINC001087529339 810295514 /nfs/dbraw/zinc/29/55/14/810295514.db2.gz CGOVZUTZXNCNRJ-BFHYXJOUSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOC ZINC001087529339 810295517 /nfs/dbraw/zinc/29/55/17/810295517.db2.gz CGOVZUTZXNCNRJ-BFHYXJOUSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(N)=O ZINC001087796466 810307843 /nfs/dbraw/zinc/30/78/43/810307843.db2.gz BDBUVUFQFJHCQO-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(N)=O ZINC001087796466 810307850 /nfs/dbraw/zinc/30/78/50/810307850.db2.gz BDBUVUFQFJHCQO-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(N)=O ZINC001087796466 810307854 /nfs/dbraw/zinc/30/78/54/810307854.db2.gz BDBUVUFQFJHCQO-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(N)=O ZINC001087796466 810307861 /nfs/dbraw/zinc/30/78/61/810307861.db2.gz BDBUVUFQFJHCQO-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CCO ZINC001088658471 810347773 /nfs/dbraw/zinc/34/77/73/810347773.db2.gz BWTWYRXIRRQAQK-FVCCEPFGSA-N 2 1 285.388 -0.723 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CCO ZINC001088658471 810347781 /nfs/dbraw/zinc/34/77/81/810347781.db2.gz BWTWYRXIRRQAQK-FVCCEPFGSA-N 2 1 285.388 -0.723 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CCO ZINC001088658471 810347788 /nfs/dbraw/zinc/34/77/88/810347788.db2.gz BWTWYRXIRRQAQK-FVCCEPFGSA-N 2 1 285.388 -0.723 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CCO ZINC001088658471 810347796 /nfs/dbraw/zinc/34/77/96/810347796.db2.gz BWTWYRXIRRQAQK-FVCCEPFGSA-N 2 1 285.388 -0.723 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001088983237 810371197 /nfs/dbraw/zinc/37/11/97/810371197.db2.gz NJVJIIZEXYOMAL-NEPJUHHUSA-N 2 1 294.399 -0.593 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001088983237 810371207 /nfs/dbraw/zinc/37/12/07/810371207.db2.gz NJVJIIZEXYOMAL-NEPJUHHUSA-N 2 1 294.399 -0.593 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCOC)[C@@H]2C)C1 ZINC001089049869 810376457 /nfs/dbraw/zinc/37/64/57/810376457.db2.gz GSRPWQCTTWUSLI-RDBSUJKOSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCOC)[C@@H]2C)C1 ZINC001089049869 810376464 /nfs/dbraw/zinc/37/64/64/810376464.db2.gz GSRPWQCTTWUSLI-RDBSUJKOSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCOC)[C@@H]2C)C1 ZINC001089049869 810376472 /nfs/dbraw/zinc/37/64/72/810376472.db2.gz GSRPWQCTTWUSLI-RDBSUJKOSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCOC)[C@@H]2C)C1 ZINC001089049869 810376474 /nfs/dbraw/zinc/37/64/74/810376474.db2.gz GSRPWQCTTWUSLI-RDBSUJKOSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090536532 810518120 /nfs/dbraw/zinc/51/81/20/810518120.db2.gz FVRPQQCQOFIKMR-UONOGXRCSA-N 2 1 299.415 -0.474 20 0 CBADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)CC1 ZINC001090673777 810545982 /nfs/dbraw/zinc/54/59/82/810545982.db2.gz MLKRZKMRAOLSIU-UONOGXRCSA-N 2 1 299.415 -0.738 20 0 CBADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001090673775 810547546 /nfs/dbraw/zinc/54/75/46/810547546.db2.gz MLKRZKMRAOLSIU-KBPBESRZSA-N 2 1 299.415 -0.738 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090729918 810559814 /nfs/dbraw/zinc/55/98/14/810559814.db2.gz CFRIIQJDTDORSA-OLZOCXBDSA-N 2 1 299.390 -0.007 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090817857 810572806 /nfs/dbraw/zinc/57/28/06/810572806.db2.gz SWWPYCMBKLOCHL-STQMWFEESA-N 2 1 287.379 -0.007 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091059100 810587156 /nfs/dbraw/zinc/58/71/56/810587156.db2.gz CCIDLGKOQQTFEC-BPCQOVAHSA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092503653 810632900 /nfs/dbraw/zinc/63/29/00/810632900.db2.gz CAVQGDQHAWRSPF-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001092503653 810632904 /nfs/dbraw/zinc/63/29/04/810632904.db2.gz CAVQGDQHAWRSPF-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001092503653 810632908 /nfs/dbraw/zinc/63/29/08/810632908.db2.gz CAVQGDQHAWRSPF-JHJVBQTASA-N 2 1 296.415 -0.489 20 0 CBADMP C[NH+]1CCN(c2ccc(-n3ccc(C[NH3+])cc3=N)nn2)CC1 ZINC001156849754 815384942 /nfs/dbraw/zinc/38/49/42/815384942.db2.gz BCTBENWHRCHFQK-UHFFFAOYSA-N 2 1 299.382 -0.043 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132925 810645224 /nfs/dbraw/zinc/64/52/24/810645224.db2.gz HBVYOIIXIUMIBU-VXGBXAGGSA-N 2 1 294.399 -0.748 20 0 CBADMP CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094814632 810732358 /nfs/dbraw/zinc/73/23/58/810732358.db2.gz HGQWHJTWRKYZQG-NEPJUHHUSA-N 2 1 294.399 -0.641 20 0 CBADMP CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094814632 810732363 /nfs/dbraw/zinc/73/23/63/810732363.db2.gz HGQWHJTWRKYZQG-NEPJUHHUSA-N 2 1 294.399 -0.641 20 0 CBADMP CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094814633 810732391 /nfs/dbraw/zinc/73/23/91/810732391.db2.gz HGQWHJTWRKYZQG-NWDGAFQWSA-N 2 1 294.399 -0.641 20 0 CBADMP CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094814633 810732396 /nfs/dbraw/zinc/73/23/96/810732396.db2.gz HGQWHJTWRKYZQG-NWDGAFQWSA-N 2 1 294.399 -0.641 20 0 CBADMP CC[NH+]1CC(N2C[C@H](NC(=O)C[NH+]3CCCC3)CC2=O)C1 ZINC001094818217 810733000 /nfs/dbraw/zinc/73/30/00/810733000.db2.gz ZFSGTCZTGQEERP-GFCCVEGCSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(N)=O)C3)C1 ZINC001099160037 810866351 /nfs/dbraw/zinc/86/63/51/810866351.db2.gz NEVAEVAIGHVPHM-HUBLWGQQSA-N 2 1 294.399 -0.606 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(N)=O)C3)C1 ZINC001099160037 810866357 /nfs/dbraw/zinc/86/63/57/810866357.db2.gz NEVAEVAIGHVPHM-HUBLWGQQSA-N 2 1 294.399 -0.606 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)C1 ZINC001099160037 810866363 /nfs/dbraw/zinc/86/63/63/810866363.db2.gz NEVAEVAIGHVPHM-HUBLWGQQSA-N 2 1 294.399 -0.606 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)C1 ZINC001099160037 810866369 /nfs/dbraw/zinc/86/63/69/810866369.db2.gz NEVAEVAIGHVPHM-HUBLWGQQSA-N 2 1 294.399 -0.606 20 0 CBADMP NC(=O)c1cc(Cl)nc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001157095991 815403796 /nfs/dbraw/zinc/40/37/96/815403796.db2.gz DTRUEDFWBWBMKG-UHFFFAOYSA-N 2 1 285.739 -0.096 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)CCC1 ZINC001099874187 810959270 /nfs/dbraw/zinc/95/92/70/810959270.db2.gz HIJMWXJTNWCECQ-STQMWFEESA-N 2 1 299.415 -0.596 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CCO)C[C@@H]1O ZINC001099898425 810961642 /nfs/dbraw/zinc/96/16/42/810961642.db2.gz BGNJIANNVCMGFU-NEPJUHHUSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099898425 810961645 /nfs/dbraw/zinc/96/16/45/810961645.db2.gz BGNJIANNVCMGFU-NEPJUHHUSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099898425 810961648 /nfs/dbraw/zinc/96/16/48/810961648.db2.gz BGNJIANNVCMGFU-NEPJUHHUSA-N 2 1 287.404 -0.740 20 0 CBADMP CCOCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099988247 810985977 /nfs/dbraw/zinc/98/59/77/810985977.db2.gz FTHDRPVOIAXHII-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099988089 810986514 /nfs/dbraw/zinc/98/65/14/810986514.db2.gz CATISHKSJKPTTB-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036551 810998811 /nfs/dbraw/zinc/99/88/11/810998811.db2.gz IPRSGBXNCMJNHZ-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036551 810998815 /nfs/dbraw/zinc/99/88/15/810998815.db2.gz IPRSGBXNCMJNHZ-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100077244 811014161 /nfs/dbraw/zinc/01/41/61/811014161.db2.gz ZIRWYRLZZKQGAO-STQMWFEESA-N 2 1 287.404 -0.738 20 0 CBADMP CC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076525 811014710 /nfs/dbraw/zinc/01/47/10/811014710.db2.gz MQDZTXUPVRSLRD-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001100076355 811015538 /nfs/dbraw/zinc/01/55/38/811015538.db2.gz KCROOEZYSMDMOQ-RYUDHWBXSA-N 2 1 291.367 -0.915 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001100076355 811015546 /nfs/dbraw/zinc/01/55/46/811015546.db2.gz KCROOEZYSMDMOQ-RYUDHWBXSA-N 2 1 291.367 -0.915 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC)C[C@@H]1O ZINC001100082432 811018107 /nfs/dbraw/zinc/01/81/07/811018107.db2.gz BQPXPGREPCRVAY-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC)C[C@@H]1O ZINC001100082432 811018112 /nfs/dbraw/zinc/01/81/12/811018112.db2.gz BQPXPGREPCRVAY-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC)C[C@@H]1O ZINC001100082432 811018118 /nfs/dbraw/zinc/01/81/18/811018118.db2.gz BQPXPGREPCRVAY-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCCO)C[C@@H]1O ZINC001100080959 811019099 /nfs/dbraw/zinc/01/90/99/811019099.db2.gz OEQZRSULCYZNJU-STQMWFEESA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100080959 811019103 /nfs/dbraw/zinc/01/91/03/811019103.db2.gz OEQZRSULCYZNJU-STQMWFEESA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100080959 811019109 /nfs/dbraw/zinc/01/91/09/811019109.db2.gz OEQZRSULCYZNJU-STQMWFEESA-N 2 1 287.404 -0.738 20 0 CBADMP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100124258 811021765 /nfs/dbraw/zinc/02/17/65/811021765.db2.gz FSAHYFSFICUMCH-KBPBESRZSA-N 2 1 299.415 -0.594 20 0 CBADMP CCOCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001100212186 811038997 /nfs/dbraw/zinc/03/89/97/811038997.db2.gz SBRKMZWVXWNGEH-JXQTWKCFSA-N 2 1 299.415 -0.162 20 0 CBADMP CCOCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001100212186 811039007 /nfs/dbraw/zinc/03/90/07/811039007.db2.gz SBRKMZWVXWNGEH-JXQTWKCFSA-N 2 1 299.415 -0.162 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100419512 811056325 /nfs/dbraw/zinc/05/63/25/811056325.db2.gz VOBOYPBIHBOMEZ-BPCQOVAHSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001100678768 811071519 /nfs/dbraw/zinc/07/15/19/811071519.db2.gz WBIZXHLRGAQSLO-UNXYVOJBSA-N 2 1 282.388 -0.702 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001100829818 811081298 /nfs/dbraw/zinc/08/12/98/811081298.db2.gz MMYALXWTQXDISC-UHFFFAOYSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001100901959 811084527 /nfs/dbraw/zinc/08/45/27/811084527.db2.gz XNLUCVPOWUWNEY-UHFFFAOYSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001100901855 811084567 /nfs/dbraw/zinc/08/45/67/811084567.db2.gz RGVAGALFESKNQQ-UNXYVOJBSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001101035889 811090611 /nfs/dbraw/zinc/09/06/11/811090611.db2.gz DBBLJZPRCPTCLX-VOMCLLRMSA-N 2 1 284.404 -0.315 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001101035888 811090807 /nfs/dbraw/zinc/09/08/07/811090807.db2.gz DBBLJZPRCPTCLX-UNXYVOJBSA-N 2 1 284.404 -0.315 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001157323872 815423262 /nfs/dbraw/zinc/42/32/62/815423262.db2.gz YXYVGLHBMFAUKN-STQMWFEESA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1COC(C)(C)[NH2+]1 ZINC001157335238 815424198 /nfs/dbraw/zinc/42/41/98/815424198.db2.gz DVYOGEKLTKTIOU-UWVGGRQHSA-N 2 1 286.376 -0.929 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001102087956 811145304 /nfs/dbraw/zinc/14/53/04/811145304.db2.gz DVDDUQZKFPPTST-IJLUTSLNSA-N 2 1 284.404 -0.504 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318600 811152352 /nfs/dbraw/zinc/15/23/52/811152352.db2.gz AKMJCQBWGAPUEM-CHWSQXEVSA-N 2 1 298.431 -0.290 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320483 811153428 /nfs/dbraw/zinc/15/34/28/811153428.db2.gz DXPDUMBOJFUZSF-JHJVBQTASA-N 2 1 298.431 -0.114 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001102496038 811158151 /nfs/dbraw/zinc/15/81/51/811158151.db2.gz ADUKBYFEGOCOQW-VXGBXAGGSA-N 2 1 284.404 -0.502 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001102496038 811158155 /nfs/dbraw/zinc/15/81/55/811158155.db2.gz ADUKBYFEGOCOQW-VXGBXAGGSA-N 2 1 284.404 -0.502 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102496038 811158159 /nfs/dbraw/zinc/15/81/59/811158159.db2.gz ADUKBYFEGOCOQW-VXGBXAGGSA-N 2 1 284.404 -0.502 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001102600343 811161028 /nfs/dbraw/zinc/16/10/28/811161028.db2.gz AELQBXKFFWOZEA-FRRDWIJNSA-N 2 1 298.431 -0.116 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001102600343 811161033 /nfs/dbraw/zinc/16/10/33/811161033.db2.gz AELQBXKFFWOZEA-FRRDWIJNSA-N 2 1 298.431 -0.116 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001102600343 811161040 /nfs/dbraw/zinc/16/10/40/811161040.db2.gz AELQBXKFFWOZEA-FRRDWIJNSA-N 2 1 298.431 -0.116 20 0 CBADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001103140355 811176245 /nfs/dbraw/zinc/17/62/45/811176245.db2.gz ZZGSFFLBOQJOSR-JHJVBQTASA-N 2 1 298.431 -0.114 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])C(=O)C[C@H]2COCC[NH2+]2)n[nH]1 ZINC001157439833 815434009 /nfs/dbraw/zinc/43/40/09/815434009.db2.gz MQPKPXHYEAJGQD-QMMMGPOBSA-N 2 1 266.305 -0.677 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n[nH]1 ZINC001157439698 815434259 /nfs/dbraw/zinc/43/42/59/815434259.db2.gz MIYOOOYFIMKEMD-JTQLQIEISA-N 3 1 279.348 -0.729 20 0 CBADMP COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105973993 811283101 /nfs/dbraw/zinc/28/31/01/811283101.db2.gz JCCBIKWOZOYPLQ-MGPQQGTHSA-N 2 1 299.415 -0.353 20 0 CBADMP COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105973993 811283107 /nfs/dbraw/zinc/28/31/07/811283107.db2.gz JCCBIKWOZOYPLQ-MGPQQGTHSA-N 2 1 299.415 -0.353 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CC(N)=O ZINC001106323087 811304460 /nfs/dbraw/zinc/30/44/60/811304460.db2.gz XQOFHYXOBLNKPC-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCO)[C@H](C)C2)C1 ZINC001107011865 811321147 /nfs/dbraw/zinc/32/11/47/811321147.db2.gz BXTFZYNFESBFBY-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCO)[C@H](C)C2)C1 ZINC001107011865 811321156 /nfs/dbraw/zinc/32/11/56/811321156.db2.gz BXTFZYNFESBFBY-MGPQQGTHSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182501 811419515 /nfs/dbraw/zinc/41/95/15/811419515.db2.gz JYEATGYKMISQCH-GXTWGEPZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182501 811419521 /nfs/dbraw/zinc/41/95/21/811419521.db2.gz JYEATGYKMISQCH-GXTWGEPZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108342686 811439062 /nfs/dbraw/zinc/43/90/62/811439062.db2.gz HXPPLMMLXFDFLL-CQSZACIVSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[N@H+]1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108342686 811439068 /nfs/dbraw/zinc/43/90/68/811439068.db2.gz HXPPLMMLXFDFLL-CQSZACIVSA-N 2 1 287.404 -0.208 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653804 811498132 /nfs/dbraw/zinc/49/81/32/811498132.db2.gz HXNXEIBMFGOHAE-NDBYEHHHSA-N 2 1 296.415 -0.077 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653804 811498136 /nfs/dbraw/zinc/49/81/36/811498136.db2.gz HXNXEIBMFGOHAE-NDBYEHHHSA-N 2 1 296.415 -0.077 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001109979986 811506628 /nfs/dbraw/zinc/50/66/28/811506628.db2.gz HPMVCDPHHCPLHX-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981406 811535414 /nfs/dbraw/zinc/53/54/14/811535414.db2.gz ONNRMSFXUCEJON-SYQHCUMBSA-N 2 1 299.415 -0.333 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001110981443 811536816 /nfs/dbraw/zinc/53/68/16/811536816.db2.gz QFQPAMQRFNTSNZ-NDBYEHHHSA-N 2 1 294.399 -0.452 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001110981443 811536823 /nfs/dbraw/zinc/53/68/23/811536823.db2.gz QFQPAMQRFNTSNZ-NDBYEHHHSA-N 2 1 294.399 -0.452 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(N)=O ZINC001111169295 811542234 /nfs/dbraw/zinc/54/22/34/811542234.db2.gz MIZFPDYKEYECCN-LPWJVIDDSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(N)=O ZINC001111169295 811542240 /nfs/dbraw/zinc/54/22/40/811542240.db2.gz MIZFPDYKEYECCN-LPWJVIDDSA-N 2 1 296.415 -0.077 20 0 CBADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[N@H+](C(C)(C)C)CCN1 ZINC001157720254 815456496 /nfs/dbraw/zinc/45/64/96/815456496.db2.gz DPDAIGOVZPPLDU-OLZOCXBDSA-N 2 1 298.431 -0.495 20 0 CBADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)c1cnc(C[NH3+])s1 ZINC001157720143 815457034 /nfs/dbraw/zinc/45/70/34/815457034.db2.gz AUSZDSLLSRYQES-QMMMGPOBSA-N 2 1 270.358 -0.338 20 0 CBADMP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC001157730816 815459002 /nfs/dbraw/zinc/45/90/02/815459002.db2.gz PLCHXSABUUALTN-YPMHNXCESA-N 2 1 283.351 -0.041 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CCC[C@](F)(C[NH3+])CC2)CC1 ZINC001157741393 815460371 /nfs/dbraw/zinc/46/03/71/815460371.db2.gz WZWFQNSHAIPNEM-CQSZACIVSA-N 2 1 286.395 -0.087 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC[NH+](CCCO)CC2)CC1 ZINC001113271245 811626465 /nfs/dbraw/zinc/62/64/65/811626465.db2.gz LICWTVNQYCYZEB-UHFFFAOYSA-N 2 1 269.389 -0.145 20 0 CBADMP COC[C@@H](O)C[NH+]1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001113270377 811626480 /nfs/dbraw/zinc/62/64/80/811626480.db2.gz LUXXYKYQOFBWLG-ZDUSSCGKSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@@H](O)C[NH+]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001113538362 811645701 /nfs/dbraw/zinc/64/57/01/811645701.db2.gz KVHOUPDOFYLTAK-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP COC[C@@H](O)C[NH+]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113538362 811645703 /nfs/dbraw/zinc/64/57/03/811645703.db2.gz KVHOUPDOFYLTAK-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001157754905 815463066 /nfs/dbraw/zinc/46/30/66/815463066.db2.gz MWMLRFMPUNPTCK-NHCYSSNCSA-N 2 1 258.341 -0.645 20 0 CBADMP C[C@@H]1CCN(C(=O)c2nnn3c2C[NH2+]CC3)C[C@@H]1[NH3+] ZINC001157829462 815469625 /nfs/dbraw/zinc/46/96/25/815469625.db2.gz RPEDVOUOZVJYQH-BDAKNGLRSA-N 2 1 264.333 -0.809 20 0 CBADMP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001157844303 815471223 /nfs/dbraw/zinc/47/12/23/815471223.db2.gz VWXOMMRBBJAHRM-NHCYSSNCSA-N 2 1 265.361 -0.135 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21)C1CCC1 ZINC001114414429 811747414 /nfs/dbraw/zinc/74/74/14/811747414.db2.gz TXUMHKHBBOGMCD-NHAGDIPZSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)C1CCC1 ZINC001114414429 811747419 /nfs/dbraw/zinc/74/74/19/811747419.db2.gz TXUMHKHBBOGMCD-NHAGDIPZSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)C1CCC1 ZINC001114414429 811747423 /nfs/dbraw/zinc/74/74/23/811747423.db2.gz TXUMHKHBBOGMCD-NHAGDIPZSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)C1CCC1 ZINC001114414175 811747654 /nfs/dbraw/zinc/74/76/54/811747654.db2.gz NXHVLBJDDWGTHM-IMRBUKKESA-N 2 1 267.373 -0.491 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)C1CCC1 ZINC001114414175 811747639 /nfs/dbraw/zinc/74/76/39/811747639.db2.gz NXHVLBJDDWGTHM-IMRBUKKESA-N 2 1 267.373 -0.491 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)C1CCC1 ZINC001114414175 811747644 /nfs/dbraw/zinc/74/76/44/811747644.db2.gz NXHVLBJDDWGTHM-IMRBUKKESA-N 2 1 267.373 -0.491 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC001114422372 811748065 /nfs/dbraw/zinc/74/80/65/811748065.db2.gz ADOVFYCWXBPSCD-RMRHIDDWSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114422372 811748072 /nfs/dbraw/zinc/74/80/72/811748072.db2.gz ADOVFYCWXBPSCD-RMRHIDDWSA-N 2 1 281.400 -0.101 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114422372 811748080 /nfs/dbraw/zinc/74/80/80/811748080.db2.gz ADOVFYCWXBPSCD-RMRHIDDWSA-N 2 1 281.400 -0.101 20 0 CBADMP 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 811750102 /nfs/dbraw/zinc/75/01/02/811750102.db2.gz JUVFAJCFWBFBLH-ODXJTPSBSA-N 2 1 299.415 -0.620 20 0 CBADMP COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114678116 811760962 /nfs/dbraw/zinc/76/09/62/811760962.db2.gz JAOKXNLFYQNYQM-ODXJTPSBSA-N 2 1 297.399 -0.866 20 0 CBADMP COC[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001114678116 811760968 /nfs/dbraw/zinc/76/09/68/811760968.db2.gz JAOKXNLFYQNYQM-ODXJTPSBSA-N 2 1 297.399 -0.866 20 0 CBADMP COC[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001114678116 811760975 /nfs/dbraw/zinc/76/09/75/811760975.db2.gz JAOKXNLFYQNYQM-ODXJTPSBSA-N 2 1 297.399 -0.866 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H](CO)CC(F)(F)C2)C1 ZINC001157899698 815477885 /nfs/dbraw/zinc/47/78/85/815477885.db2.gz BMLLTXHVRKWPSZ-YIZRAAEISA-N 2 1 263.288 -0.848 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082023 815502775 /nfs/dbraw/zinc/50/27/75/815502775.db2.gz LSAWDLAEMMREHU-NSHDSACASA-N 2 1 283.372 -0.003 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N2CCC3(CC([NH3+])C3)CC2)C1 ZINC001158083280 815502797 /nfs/dbraw/zinc/50/27/97/815502797.db2.gz ZYXWEOZCULHTHZ-ONGXEEELSA-N 2 1 252.362 -0.595 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114751117 812156347 /nfs/dbraw/zinc/15/63/47/812156347.db2.gz UNWUGINGDATZNF-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114751117 812156352 /nfs/dbraw/zinc/15/63/52/812156352.db2.gz UNWUGINGDATZNF-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114742986 812156518 /nfs/dbraw/zinc/15/65/18/812156518.db2.gz AEAUZQRPGZQQRA-PJXYFTJBSA-N 2 1 294.399 -0.879 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114742986 812156522 /nfs/dbraw/zinc/15/65/22/812156522.db2.gz AEAUZQRPGZQQRA-PJXYFTJBSA-N 2 1 294.399 -0.879 20 0 CBADMP COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750179 812156942 /nfs/dbraw/zinc/15/69/42/812156942.db2.gz CHJZPGYAYBZEQD-RMRHIDDWSA-N 2 1 299.415 -0.618 20 0 CBADMP CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774917 812159290 /nfs/dbraw/zinc/15/92/90/812159290.db2.gz WXFAMJKVACCBQZ-JYAVWHMHSA-N 2 1 296.415 -0.537 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114779162 812159876 /nfs/dbraw/zinc/15/98/76/812159876.db2.gz YCNUWMQPMWIYEV-MEWQQHAOSA-N 2 1 255.362 -0.635 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001114794709 812161163 /nfs/dbraw/zinc/16/11/63/812161163.db2.gz NWNPQNBNDDIRGN-RSLMWUCJSA-N 2 1 282.388 -0.896 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001114794709 812161169 /nfs/dbraw/zinc/16/11/69/812161169.db2.gz NWNPQNBNDDIRGN-RSLMWUCJSA-N 2 1 282.388 -0.896 20 0 CBADMP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980377 812170592 /nfs/dbraw/zinc/17/05/92/812170592.db2.gz PZCPKFXTWREGKG-RMRHIDDWSA-N 2 1 297.399 -0.864 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980377 812170595 /nfs/dbraw/zinc/17/05/95/812170595.db2.gz PZCPKFXTWREGKG-RMRHIDDWSA-N 2 1 297.399 -0.864 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115074643 812177186 /nfs/dbraw/zinc/17/71/86/812177186.db2.gz PRPMMFKGFILYAP-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115074643 812177190 /nfs/dbraw/zinc/17/71/90/812177190.db2.gz PRPMMFKGFILYAP-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC ZINC001115074643 812177194 /nfs/dbraw/zinc/17/71/94/812177194.db2.gz PRPMMFKGFILYAP-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115074643 812177199 /nfs/dbraw/zinc/17/71/99/812177199.db2.gz PRPMMFKGFILYAP-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115080571 812178547 /nfs/dbraw/zinc/17/85/47/812178547.db2.gz AESVYUWYNBZFTG-CZXHOFHRSA-N 2 1 296.415 -0.362 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC)C[C@H]21 ZINC001115152684 812181473 /nfs/dbraw/zinc/18/14/73/812181473.db2.gz VUHWVTJIMQGOMC-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC)C[C@H]21 ZINC001115152684 812181479 /nfs/dbraw/zinc/18/14/79/812181479.db2.gz VUHWVTJIMQGOMC-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001115152684 812181484 /nfs/dbraw/zinc/18/14/84/812181484.db2.gz VUHWVTJIMQGOMC-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001115152684 812181487 /nfs/dbraw/zinc/18/14/87/812181487.db2.gz VUHWVTJIMQGOMC-JYAVWHMHSA-N 2 1 296.415 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001115160163 812182666 /nfs/dbraw/zinc/18/26/66/812182666.db2.gz PVRJMJQEDOOGLB-JYAVWHMHSA-N 2 1 296.415 -0.537 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001115160163 812182671 /nfs/dbraw/zinc/18/26/71/812182671.db2.gz PVRJMJQEDOOGLB-JYAVWHMHSA-N 2 1 296.415 -0.537 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001115160163 812182676 /nfs/dbraw/zinc/18/26/76/812182676.db2.gz PVRJMJQEDOOGLB-JYAVWHMHSA-N 2 1 296.415 -0.537 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115303724 812190651 /nfs/dbraw/zinc/19/06/51/812190651.db2.gz IRAQJQICNYOHDG-KZVDOYCCSA-N 2 1 294.399 -0.739 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115303724 812190658 /nfs/dbraw/zinc/19/06/58/812190658.db2.gz IRAQJQICNYOHDG-KZVDOYCCSA-N 2 1 294.399 -0.739 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115303724 812190663 /nfs/dbraw/zinc/19/06/63/812190663.db2.gz IRAQJQICNYOHDG-KZVDOYCCSA-N 2 1 294.399 -0.739 20 0 CBADMP 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 812190959 /nfs/dbraw/zinc/19/09/59/812190959.db2.gz OJLQPDILDJAAHZ-NMKXLXIOSA-N 2 1 296.415 -0.493 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115304102 812190962 /nfs/dbraw/zinc/19/09/62/812190962.db2.gz OJLQPDILDJAAHZ-NMKXLXIOSA-N 2 1 296.415 -0.493 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115304102 812190968 /nfs/dbraw/zinc/19/09/68/812190968.db2.gz OJLQPDILDJAAHZ-NMKXLXIOSA-N 2 1 296.415 -0.493 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158214711 815515127 /nfs/dbraw/zinc/51/51/27/815515127.db2.gz BYNRYURVGSWVRK-TUAOUCFPSA-N 2 1 252.362 -0.805 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC2(C1)CCCO2 ZINC001158236015 815515162 /nfs/dbraw/zinc/51/51/62/815515162.db2.gz VVFSDXMYLCTMGE-UHFFFAOYSA-N 2 1 253.346 -0.281 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001158319592 815519228 /nfs/dbraw/zinc/51/92/28/815519228.db2.gz JJLXXFALQBBDJQ-QWHCGFSZSA-N 2 1 288.351 -0.298 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158318956 815519291 /nfs/dbraw/zinc/51/92/91/815519291.db2.gz BJLWCFPPHYAHCK-MNOVXSKESA-N 2 1 289.326 -0.180 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)CC2 ZINC001158347127 815521518 /nfs/dbraw/zinc/52/15/18/815521518.db2.gz GGTAETWIGPZCLF-JOYOIKCWSA-N 2 1 264.329 -0.774 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001158381169 815522730 /nfs/dbraw/zinc/52/27/30/815522730.db2.gz ZDHBGNVXUMDMSN-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2cnn(C)n2)CC[N@H+]1C ZINC001158380713 815523367 /nfs/dbraw/zinc/52/33/67/815523367.db2.gz VDXPPOUYXCHPGA-DGCLKSJQSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCC[C@H](C)[NH2+]C ZINC001117966549 812460163 /nfs/dbraw/zinc/46/01/63/812460163.db2.gz KBNTUPVERCNPFY-NSHDSACASA-N 2 1 260.382 -0.402 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001118037192 812463852 /nfs/dbraw/zinc/46/38/52/812463852.db2.gz ATLIBSSKVNOIJR-WZRBSPASSA-N 2 1 296.415 -0.301 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC001118122442 812473984 /nfs/dbraw/zinc/47/39/84/812473984.db2.gz XFJNVQHXNHHVER-LLVKDONJSA-N 2 1 282.388 -0.511 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158435198 815529221 /nfs/dbraw/zinc/52/92/21/815529221.db2.gz WQTUEEUDRVTLPE-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158435198 815529226 /nfs/dbraw/zinc/52/92/26/815529226.db2.gz WQTUEEUDRVTLPE-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP c1ncc(N2CC[N@@H+]3CC[C@@H]3C2)nc1N1CC[NH2+]CC1 ZINC001158434459 815529547 /nfs/dbraw/zinc/52/95/47/815529547.db2.gz RUSHXKBLEJIFRJ-GFCCVEGCSA-N 2 1 274.372 -0.220 20 0 CBADMP C[C@H](C(=O)NC1CC1)N1CC[NH+](CCOCC[NH3+])CC1 ZINC001118222998 812499707 /nfs/dbraw/zinc/49/97/07/812499707.db2.gz KDRYDQPDJZMOHF-GFCCVEGCSA-N 2 1 284.404 -0.754 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1cnn(C)c1 ZINC001118265429 812512106 /nfs/dbraw/zinc/51/21/06/812512106.db2.gz ZNHCCIRYAJLTAF-USWWRNFRSA-N 2 1 265.361 -0.076 20 0 CBADMP C[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001118282240 812518336 /nfs/dbraw/zinc/51/83/36/812518336.db2.gz WFSLQMNKEJIYSO-VIFPVBQESA-N 2 1 256.350 -0.998 20 0 CBADMP [NH3+]C1([C@@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@H]2CF)CC1 ZINC001158567643 815538435 /nfs/dbraw/zinc/53/84/35/815538435.db2.gz JEXMPIOIGRDKQH-DGCLKSJQSA-N 3 1 298.406 -0.137 20 0 CBADMP COCCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158508278 815536058 /nfs/dbraw/zinc/53/60/58/815536058.db2.gz UYPOWPGOZJFIJR-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1[NH2+]CCS1 ZINC001158499075 815536456 /nfs/dbraw/zinc/53/64/56/815536456.db2.gz VVIUCLZSADYRAA-UKKRHICBSA-N 2 1 299.396 -0.599 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)=NO1 ZINC001118505419 812561435 /nfs/dbraw/zinc/56/14/35/812561435.db2.gz CYIOPIQDGQZBRT-POYBYMJQSA-N 2 1 262.260 -0.845 20 0 CBADMP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3COC[NH2+]3)C[C@@H]2CF)CC1 ZINC001158569266 815538631 /nfs/dbraw/zinc/53/86/31/815538631.db2.gz XKRKWHPZVKBMCD-AEJSXWLSSA-N 2 1 257.309 -0.532 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158577058 815539302 /nfs/dbraw/zinc/53/93/02/815539302.db2.gz GDJVCKAMTCCDFA-AEJSXWLSSA-N 3 1 258.341 -0.802 20 0 CBADMP CO[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)C[C@@H]1[NH3+] ZINC001158710284 815544373 /nfs/dbraw/zinc/54/43/73/815544373.db2.gz AXDMYENGWJOSGG-WDEREUQCSA-N 2 1 279.344 -0.525 20 0 CBADMP COCC[NH+]1CCN(C(=O)C2CC3(C[NH2+]C3)C2)CC1 ZINC001158604932 815540422 /nfs/dbraw/zinc/54/04/22/815540422.db2.gz TZZSBYZSTCGLIU-UHFFFAOYSA-N 2 1 267.373 -0.223 20 0 CBADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001158626223 815540917 /nfs/dbraw/zinc/54/09/17/815540917.db2.gz HIVSUWFPNZZCMQ-LOWVWBTDSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001158626223 815540919 /nfs/dbraw/zinc/54/09/19/815540919.db2.gz HIVSUWFPNZZCMQ-LOWVWBTDSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC001118903621 812658072 /nfs/dbraw/zinc/65/80/72/812658072.db2.gz UWHMTMREAXPUON-WOPDTQHZSA-N 2 1 284.404 -0.409 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001118964045 812678090 /nfs/dbraw/zinc/67/80/90/812678090.db2.gz XOWDRZCGEJKZHO-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)C1([NH3+])CC1)CC2 ZINC001158891369 815550130 /nfs/dbraw/zinc/55/01/30/815550130.db2.gz YAYQGGJJUFTLPB-UHFFFAOYSA-N 2 1 294.399 -0.319 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@H]1CC[NH2+]C1 ZINC001119242956 812730771 /nfs/dbraw/zinc/73/07/71/812730771.db2.gz JSUBTBJWWJIDDI-NEPJUHHUSA-N 2 1 282.388 -0.558 20 0 CBADMP CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@@H](N)C[NH3+])C2 ZINC001158855171 815549565 /nfs/dbraw/zinc/54/95/65/815549565.db2.gz FJAXZTDGUTVXMH-NSHDSACASA-N 2 1 294.403 -0.579 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001119294989 812744487 /nfs/dbraw/zinc/74/44/87/812744487.db2.gz QFLJUQHKGIHAMW-QWRGUYRKSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001119295861 812745360 /nfs/dbraw/zinc/74/53/60/812745360.db2.gz YVVWCNMFHKSSDY-XQQFMLRXSA-N 2 1 296.415 -0.027 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC001119296525 812745719 /nfs/dbraw/zinc/74/57/19/812745719.db2.gz VBFRVVFQYRIXGJ-QWHCGFSZSA-N 2 1 286.395 -0.312 20 0 CBADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CC[NH2+]1)CC2 ZINC001158890199 815551082 /nfs/dbraw/zinc/55/10/82/815551082.db2.gz BJXPWEVUSDJCKP-LBPRGKRZSA-N 2 1 294.399 -0.449 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCCO1 ZINC001119618261 812835285 /nfs/dbraw/zinc/83/52/85/812835285.db2.gz DTJXHKMANMWCAF-NWDGAFQWSA-N 2 1 254.334 -0.706 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)CCCO1 ZINC001119618261 812835294 /nfs/dbraw/zinc/83/52/94/812835294.db2.gz DTJXHKMANMWCAF-NWDGAFQWSA-N 2 1 254.334 -0.706 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CCCO1 ZINC001119618260 812835400 /nfs/dbraw/zinc/83/54/00/812835400.db2.gz DTJXHKMANMWCAF-NEPJUHHUSA-N 2 1 254.334 -0.706 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)CCCO1 ZINC001119618260 812835409 /nfs/dbraw/zinc/83/54/09/812835409.db2.gz DTJXHKMANMWCAF-NEPJUHHUSA-N 2 1 254.334 -0.706 20 0 CBADMP COCc1n[nH]c2c1CN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001159091008 815558340 /nfs/dbraw/zinc/55/83/40/815558340.db2.gz KIXPWGPUWBPBQL-QMMMGPOBSA-N 2 1 253.306 -0.926 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@@H]1CNC(=O)C1)C1CC1 ZINC001120277614 812946833 /nfs/dbraw/zinc/94/68/33/812946833.db2.gz LCTSQUKYLQIKIE-CMPLNLGQSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@@H]1CNC(=O)C1)C1CC1 ZINC001120277614 812946839 /nfs/dbraw/zinc/94/68/39/812946839.db2.gz LCTSQUKYLQIKIE-CMPLNLGQSA-N 2 1 255.362 -0.443 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001120432028 812964809 /nfs/dbraw/zinc/96/48/09/812964809.db2.gz CMBZKIQSJSUALD-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H]1Cn2nc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2C[NH2+]1 ZINC001120451435 812969355 /nfs/dbraw/zinc/96/93/55/812969355.db2.gz CNJHCEDCDQOGLW-UWVGGRQHSA-N 2 1 263.345 -0.143 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC[N@H+]1C ZINC001120517704 812981080 /nfs/dbraw/zinc/98/10/80/812981080.db2.gz UVZZOCXXYGERDA-AGIUHOORSA-N 2 1 296.415 -0.217 20 0 CBADMP CC1(C)C[NH2+]C[C@@H]1NC(=O)NCC(F)(F)C[NH3+] ZINC001120544169 812987840 /nfs/dbraw/zinc/98/78/40/812987840.db2.gz PGEVSLUCJMEJLV-ZETCQYMHSA-N 2 1 250.293 -0.122 20 0 CBADMP COC(=O)c1c[n-]c2nc[nH+]c(NCCN(C)CC[NH3+])c12 ZINC001159438066 815572641 /nfs/dbraw/zinc/57/26/41/815572641.db2.gz ARMGCFCFHQXBFR-UHFFFAOYSA-N 2 1 292.343 -0.002 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC001121809848 813076998 /nfs/dbraw/zinc/07/69/98/813076998.db2.gz ASBMRNSOYSDIPH-MPKXVKKWSA-N 2 1 266.389 -0.382 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC001121810421 813077572 /nfs/dbraw/zinc/07/75/72/813077572.db2.gz JEMOPWKOZVSROB-UTUOFQBUSA-N 2 1 252.362 -0.805 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1)C(C)C ZINC001121917801 813090880 /nfs/dbraw/zinc/09/08/80/813090880.db2.gz ZBCBYPJOOWFWEK-AAEUAGOBSA-N 2 1 257.378 -0.054 20 0 CBADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001121989672 813101816 /nfs/dbraw/zinc/10/18/16/813101816.db2.gz VKKFOAFRXVDNBO-BZPMIXESSA-N 2 1 269.389 -0.053 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121996786 813102342 /nfs/dbraw/zinc/10/23/42/813102342.db2.gz NOMXGLNXDPBJHZ-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)CNCC[NH3+])[C@H](C)C1 ZINC001122002535 813102855 /nfs/dbraw/zinc/10/28/55/813102855.db2.gz GNAWOFHLFROBEP-NEPJUHHUSA-N 2 1 256.394 -0.277 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001122009526 813104238 /nfs/dbraw/zinc/10/42/38/813104238.db2.gz SAEBGAGZKNHGPS-BFHYXJOUSA-N 2 1 280.416 -0.119 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C3(C[NH3+])CC(O)C3)CC[C@H]21 ZINC001122108364 813119003 /nfs/dbraw/zinc/11/90/03/813119003.db2.gz PJZMHLAYVKDYRY-WDBLDGLGSA-N 2 1 267.373 -0.361 20 0 CBADMP CCC[C@@H]1CN(C(=O)CNCC[NH3+])CC[N@H+]1CCOC ZINC001122117411 813120681 /nfs/dbraw/zinc/12/06/81/813120681.db2.gz DZKNMARCEMHAHX-CYBMUJFWSA-N 2 1 286.420 -0.506 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CNCC[NH3+])C1 ZINC001122136694 813122543 /nfs/dbraw/zinc/12/25/43/813122543.db2.gz OSWISXSZDCGNDT-LLVKDONJSA-N 2 1 256.394 -0.229 20 0 CBADMP [NH3+]CC[C@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC001122205268 813132970 /nfs/dbraw/zinc/13/29/70/813132970.db2.gz DTFCYKIQQUBMGR-VIFPVBQESA-N 2 1 263.345 -0.134 20 0 CBADMP CN1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC[N@H+](C)CC1 ZINC001122291707 813140482 /nfs/dbraw/zinc/14/04/82/813140482.db2.gz XMMYDUFGJDSTNB-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP CN1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC[N@@H+](C)CC1 ZINC001122291707 813140483 /nfs/dbraw/zinc/14/04/83/813140483.db2.gz XMMYDUFGJDSTNB-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC001122297227 813142229 /nfs/dbraw/zinc/14/22/29/813142229.db2.gz JOVIUGZVOXUMIY-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP COC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001122333434 813148802 /nfs/dbraw/zinc/14/88/02/813148802.db2.gz ZAZVMWQYWHBIRK-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN(C)CC[N@H+](C)CC2)C1 ZINC001122376775 813156202 /nfs/dbraw/zinc/15/62/02/813156202.db2.gz FOBMGZFYAZQYAL-ZFWWWQNUSA-N 2 1 298.431 -0.541 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN(C)CC[N@@H+](C)CC2)C1 ZINC001122376775 813156205 /nfs/dbraw/zinc/15/62/05/813156205.db2.gz FOBMGZFYAZQYAL-ZFWWWQNUSA-N 2 1 298.431 -0.541 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN(C)CC[N@H+](C)CC2)C1 ZINC001122376767 813156434 /nfs/dbraw/zinc/15/64/34/813156434.db2.gz FOBMGZFYAZQYAL-DZGCQCFKSA-N 2 1 298.431 -0.541 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN(C)CC[N@@H+](C)CC2)C1 ZINC001122376767 813156437 /nfs/dbraw/zinc/15/64/37/813156437.db2.gz FOBMGZFYAZQYAL-DZGCQCFKSA-N 2 1 298.431 -0.541 20 0 CBADMP CN1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC[N@@H+](C)CC1 ZINC001122378568 813156446 /nfs/dbraw/zinc/15/64/46/813156446.db2.gz XZPUOTYXYBWODX-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP CS(=O)(=O)c1nc(Cl)cc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159780029 815594380 /nfs/dbraw/zinc/59/43/80/815594380.db2.gz OAZNLOSXZMVIBE-ZETCQYMHSA-N 2 1 293.780 -0.031 20 0 CBADMP CC(C)([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001122442408 813165629 /nfs/dbraw/zinc/16/56/29/813165629.db2.gz OVPKVAOJWCUIJE-MNOVXSKESA-N 2 1 255.362 -0.219 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@H]3COCC[NH2+]3)[C@@H]2C1 ZINC001122571622 813176686 /nfs/dbraw/zinc/17/66/86/813176686.db2.gz BDEHJCMHBUVZMH-RVMXOQNASA-N 2 1 267.373 -0.179 20 0 CBADMP N[C@@H](CCC[NH3+])Nc1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001159786522 815596503 /nfs/dbraw/zinc/59/65/03/815596503.db2.gz CPYZKXAEWPYZPL-GFCCVEGCSA-N 2 1 292.387 -0.437 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CCC1 ZINC001123672378 813260494 /nfs/dbraw/zinc/26/04/94/813260494.db2.gz UUUXKNYDCVCSKW-VXGBXAGGSA-N 2 1 252.362 -0.803 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H]1CCC[NH+]1C ZINC001123938680 813296809 /nfs/dbraw/zinc/29/68/09/813296809.db2.gz HAVCGDSYTGRITF-YNEHKIRRSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H]1CCC[N@@H+]1C ZINC001123938680 813296813 /nfs/dbraw/zinc/29/68/13/813296813.db2.gz HAVCGDSYTGRITF-YNEHKIRRSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H]1CCC[N@H+]1C ZINC001123938680 813296815 /nfs/dbraw/zinc/29/68/15/813296815.db2.gz HAVCGDSYTGRITF-YNEHKIRRSA-N 2 1 266.389 -0.415 20 0 CBADMP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124835976 813485723 /nfs/dbraw/zinc/48/57/23/813485723.db2.gz DERBFCIOOUSBBW-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001124866514 813488824 /nfs/dbraw/zinc/48/88/24/813488824.db2.gz FBNZFDLPATZISJ-PWSUYJOCSA-N 2 1 282.388 -0.547 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001124866944 813489091 /nfs/dbraw/zinc/48/90/91/813489091.db2.gz OAFKMEHOWBSJRU-LLVKDONJSA-N 2 1 291.417 -0.779 20 0 CBADMP Cn1cc(CC[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001124866448 813489507 /nfs/dbraw/zinc/48/95/07/813489507.db2.gz CSCSKEZGJWFCKU-CYBMUJFWSA-N 2 1 279.388 -0.237 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001124867210 813489667 /nfs/dbraw/zinc/48/96/67/813489667.db2.gz UDUNJXDHWYUIFN-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001124867092 813489946 /nfs/dbraw/zinc/48/99/46/813489946.db2.gz RUGUWZLTCQPBSR-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001124866512 813490006 /nfs/dbraw/zinc/49/00/06/813490006.db2.gz FBNZFDLPATZISJ-CMPLNLGQSA-N 2 1 282.388 -0.547 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001124867211 813491165 /nfs/dbraw/zinc/49/11/65/813491165.db2.gz UDUNJXDHWYUIFN-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124872711 813492087 /nfs/dbraw/zinc/49/20/87/813492087.db2.gz LUPFRFCGCGUASR-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP CCCC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001124867405 813492787 /nfs/dbraw/zinc/49/27/87/813492787.db2.gz VNEKPCAUIWAKHI-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001124878816 813493435 /nfs/dbraw/zinc/49/34/35/813493435.db2.gz OWJVSUCACOJRKF-UWVGGRQHSA-N 2 1 256.350 -0.950 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001124877055 813493733 /nfs/dbraw/zinc/49/37/33/813493733.db2.gz BBKHXRVFIDZGCS-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC2CCC2)C1 ZINC001125219784 813531626 /nfs/dbraw/zinc/53/16/26/813531626.db2.gz BOVHKAAOIZSWBG-LBPRGKRZSA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC2CCC2)C1 ZINC001125219784 813531636 /nfs/dbraw/zinc/53/16/36/813531636.db2.gz BOVHKAAOIZSWBG-LBPRGKRZSA-N 2 1 255.362 -0.177 20 0 CBADMP Cc1ncsc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125214595 813532018 /nfs/dbraw/zinc/53/20/18/813532018.db2.gz UQGFMGWRDWBUHV-NSHDSACASA-N 2 1 298.412 -0.012 20 0 CBADMP Cc1ncsc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125214595 813532025 /nfs/dbraw/zinc/53/20/25/813532025.db2.gz UQGFMGWRDWBUHV-NSHDSACASA-N 2 1 298.412 -0.012 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cncs2)C1 ZINC001125220215 813533589 /nfs/dbraw/zinc/53/35/89/813533589.db2.gz FPTRFPFNRWMMQC-NSHDSACASA-N 2 1 284.385 -0.321 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cncs2)C1 ZINC001125220215 813533596 /nfs/dbraw/zinc/53/35/96/813533596.db2.gz FPTRFPFNRWMMQC-NSHDSACASA-N 2 1 284.385 -0.321 20 0 CBADMP CO[C@@H](C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCC1 ZINC001125220160 813533732 /nfs/dbraw/zinc/53/37/32/813533732.db2.gz DCXDLUPUPPUSQC-KBPBESRZSA-N 2 1 299.415 -0.162 20 0 CBADMP CO[C@@H](C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCC1 ZINC001125220160 813533739 /nfs/dbraw/zinc/53/37/39/813533739.db2.gz DCXDLUPUPPUSQC-KBPBESRZSA-N 2 1 299.415 -0.162 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@H]2CCCCO2)C1 ZINC001125222842 813534578 /nfs/dbraw/zinc/53/45/78/813534578.db2.gz XMQWKDNPNNRTGG-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@H]2CCCCO2)C1 ZINC001125222842 813534585 /nfs/dbraw/zinc/53/45/85/813534585.db2.gz XMQWKDNPNNRTGG-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC001125220570 813535218 /nfs/dbraw/zinc/53/52/18/813535218.db2.gz JMBODSPLQNKCCV-CHWSQXEVSA-N 2 1 299.415 -0.162 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC001125220570 813535222 /nfs/dbraw/zinc/53/52/22/813535222.db2.gz JMBODSPLQNKCCV-CHWSQXEVSA-N 2 1 299.415 -0.162 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@H]2CCCCO2)C1 ZINC001125222834 813535788 /nfs/dbraw/zinc/53/57/88/813535788.db2.gz XMQWKDNPNNRTGG-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@H]2CCCCO2)C1 ZINC001125222834 813535792 /nfs/dbraw/zinc/53/57/92/813535792.db2.gz XMQWKDNPNNRTGG-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[C@@H](F)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220892 813536094 /nfs/dbraw/zinc/53/60/94/813536094.db2.gz MDAAQEWQZXBYLE-GHMZBOCLSA-N 2 1 261.341 -0.229 20 0 CBADMP CC[C@@H](F)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220892 813536103 /nfs/dbraw/zinc/53/61/03/813536103.db2.gz MDAAQEWQZXBYLE-GHMZBOCLSA-N 2 1 261.341 -0.229 20 0 CBADMP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125221768 813537171 /nfs/dbraw/zinc/53/71/71/813537171.db2.gz TYERPFKYRSCVDP-QWRGUYRKSA-N 2 1 259.350 -0.942 20 0 CBADMP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125221768 813537176 /nfs/dbraw/zinc/53/71/76/813537176.db2.gz TYERPFKYRSCVDP-QWRGUYRKSA-N 2 1 259.350 -0.942 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001127067501 813708869 /nfs/dbraw/zinc/70/88/69/813708869.db2.gz YKYAQOPOSRYFFF-WDEREUQCSA-N 2 1 270.377 -0.561 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001127065690 813709465 /nfs/dbraw/zinc/70/94/65/813709465.db2.gz CYFYNZKEYOEJEU-LLVKDONJSA-N 2 1 295.391 -0.711 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001127065690 813709472 /nfs/dbraw/zinc/70/94/72/813709472.db2.gz CYFYNZKEYOEJEU-LLVKDONJSA-N 2 1 295.391 -0.711 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001127065897 813710506 /nfs/dbraw/zinc/71/05/06/813710506.db2.gz GVPJTLNDTBTBRW-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001127065613 813710551 /nfs/dbraw/zinc/71/05/51/813710551.db2.gz CBWBVROMCWDALT-ZDUSSCGKSA-N 2 1 296.415 -0.156 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255600 813722272 /nfs/dbraw/zinc/72/22/72/813722272.db2.gz KDJOUYKQWZTEAQ-QWRGUYRKSA-N 2 1 268.361 -0.948 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)n1 ZINC001127474415 813732483 /nfs/dbraw/zinc/73/24/83/813732483.db2.gz LZAVNEWFLQSENX-ZDUSSCGKSA-N 2 1 292.387 -0.637 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)nn1 ZINC001127481577 813733579 /nfs/dbraw/zinc/73/35/79/813733579.db2.gz UVUSHOSURNHTJA-CYBMUJFWSA-N 2 1 292.387 -0.637 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)CC[N@H+]1C ZINC001127639054 813739039 /nfs/dbraw/zinc/73/90/39/813739039.db2.gz SPGBAPZWYCUEOQ-UTUOFQBUSA-N 2 1 282.388 -0.689 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643938 813739124 /nfs/dbraw/zinc/73/91/24/813739124.db2.gz RTBWGXKWOBRFGL-GMTAPVOTSA-N 2 1 270.377 -0.833 20 0 CBADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]CC(=O)NC ZINC001127673604 813740569 /nfs/dbraw/zinc/74/05/69/813740569.db2.gz AHEJFTRLXHGVHT-LLVKDONJSA-N 2 1 295.387 -0.152 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cnnn2C)CC[N@H+]1C ZINC001127691064 813740653 /nfs/dbraw/zinc/74/06/53/813740653.db2.gz ZWDHHKCTYFSOFK-ZYHUDNBSSA-N 2 1 280.376 -0.639 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127766304 813746579 /nfs/dbraw/zinc/74/65/79/813746579.db2.gz SUYLUYTWYVQKAJ-QWHCGFSZSA-N 2 1 285.388 -0.408 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127766302 813746789 /nfs/dbraw/zinc/74/67/89/813746789.db2.gz SUYLUYTWYVQKAJ-OLZOCXBDSA-N 2 1 285.388 -0.408 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127766300 813747229 /nfs/dbraw/zinc/74/72/29/813747229.db2.gz SUYLUYTWYVQKAJ-CHWSQXEVSA-N 2 1 285.388 -0.408 20 0 CBADMP CC(C)[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127760106 813747664 /nfs/dbraw/zinc/74/76/64/813747664.db2.gz DJFPPVMCYDIFHM-NEPJUHHUSA-N 2 1 255.362 -0.036 20 0 CBADMP O=C(NCC[NH2+]CCCF)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779926 813748339 /nfs/dbraw/zinc/74/83/39/813748339.db2.gz SXQWHARXLPWCRX-VXGBXAGGSA-N 2 1 273.352 -0.085 20 0 CBADMP CCOCCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127784763 813748829 /nfs/dbraw/zinc/74/88/29/813748829.db2.gz BDOCGKPHKPDWOC-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP O=C(NCC[NH2+]Cc1ccon1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779248 813748980 /nfs/dbraw/zinc/74/89/80/813748980.db2.gz KBCRVQXEQAYYMN-OLZOCXBDSA-N 2 1 294.355 -0.256 20 0 CBADMP O=C(NCC[NH2+]Cc1ccon1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779248 813748984 /nfs/dbraw/zinc/74/89/84/813748984.db2.gz KBCRVQXEQAYYMN-OLZOCXBDSA-N 2 1 294.355 -0.256 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)c1nnnn1C ZINC001129358244 813838865 /nfs/dbraw/zinc/83/88/65/813838865.db2.gz REELKWFPTMJLHR-SNVBAGLBSA-N 2 1 295.391 -0.539 20 0 CBADMP CC(C)[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129387605 813839096 /nfs/dbraw/zinc/83/90/96/813839096.db2.gz XFKJNUPIKVRKSA-GFCCVEGCSA-N 2 1 267.377 -0.073 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129411243 813839305 /nfs/dbraw/zinc/83/93/05/813839305.db2.gz YCESJWIWFXWNOA-LBPRGKRZSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129384913 813839816 /nfs/dbraw/zinc/83/98/16/813839816.db2.gz AUCYIAMPYWVCGB-NSHDSACASA-N 2 1 253.350 -0.461 20 0 CBADMP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364622 813839982 /nfs/dbraw/zinc/83/99/82/813839982.db2.gz YOALWYKYQMTHEQ-OCCSQVGLSA-N 2 1 299.415 -0.284 20 0 CBADMP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129386442 813840273 /nfs/dbraw/zinc/84/02/73/813840273.db2.gz LGRRBYYGEYVCIT-CHWSQXEVSA-N 2 1 297.403 -0.446 20 0 CBADMP O=C(NCC[NH2+]CCCO)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364301 813840586 /nfs/dbraw/zinc/84/05/86/813840586.db2.gz RKZZHNXBKHLEPB-CQSZACIVSA-N 2 1 299.415 -0.282 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CC(N)=O ZINC001129415779 813840967 /nfs/dbraw/zinc/84/09/67/813840967.db2.gz CMEWTXMQVPPLFH-NSHDSACASA-N 2 1 270.377 -0.560 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@H]1CCCc2[nH+]ccn21 ZINC001129429475 813841153 /nfs/dbraw/zinc/84/11/53/813841153.db2.gz GYUOQZOZMJQLEE-SNVBAGLBSA-N 2 1 252.318 -0.541 20 0 CBADMP O=C(NCC[NH2+]CCOCCO)[C@@H]1CCCc2[nH+]ccn21 ZINC001129418807 813841371 /nfs/dbraw/zinc/84/13/71/813841371.db2.gz WKDGVSKIMSMCFP-LBPRGKRZSA-N 2 1 296.371 -0.525 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129421789 813843211 /nfs/dbraw/zinc/84/32/11/813843211.db2.gz CLTFNEDHODUGFU-MNOVXSKESA-N 2 1 293.371 -0.399 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435930 813843904 /nfs/dbraw/zinc/84/39/04/813843904.db2.gz JYDNYWHRNIVFJE-CYBMUJFWSA-N 2 1 279.388 -0.034 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460773 813844436 /nfs/dbraw/zinc/84/44/36/813844436.db2.gz OFJGZHLWAFHSRA-OLZOCXBDSA-N 2 1 294.403 -0.020 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460773 813844447 /nfs/dbraw/zinc/84/44/47/813844447.db2.gz OFJGZHLWAFHSRA-OLZOCXBDSA-N 2 1 294.403 -0.020 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460773 813844456 /nfs/dbraw/zinc/84/44/56/813844456.db2.gz OFJGZHLWAFHSRA-OLZOCXBDSA-N 2 1 294.403 -0.020 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460773 813844463 /nfs/dbraw/zinc/84/44/63/813844463.db2.gz OFJGZHLWAFHSRA-OLZOCXBDSA-N 2 1 294.403 -0.020 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)c1nnnn1C ZINC001129444788 813844517 /nfs/dbraw/zinc/84/45/17/813844517.db2.gz XXAYHVDJBGGGNK-MWLCHTKSSA-N 2 1 295.391 -0.683 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)c1nnnn1C ZINC001129444786 813844650 /nfs/dbraw/zinc/84/46/50/813844650.db2.gz XXAYHVDJBGGGNK-GXSJLCMTSA-N 2 1 295.391 -0.683 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129531908 813848395 /nfs/dbraw/zinc/84/83/95/813848395.db2.gz LEZUUVKPXMHLIM-UHFFFAOYSA-N 2 1 280.376 -0.495 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129531908 813848405 /nfs/dbraw/zinc/84/84/05/813848405.db2.gz LEZUUVKPXMHLIM-UHFFFAOYSA-N 2 1 280.376 -0.495 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129526480 813849264 /nfs/dbraw/zinc/84/92/64/813849264.db2.gz IUYOVGWAQYGFAY-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129531924 813850831 /nfs/dbraw/zinc/85/08/31/813850831.db2.gz MDAZSDAUSIZPCT-UHFFFAOYSA-N 2 1 270.377 -0.735 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129839580 813869493 /nfs/dbraw/zinc/86/94/93/813869493.db2.gz BZSLGZOYXBLVCA-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129841021 813869980 /nfs/dbraw/zinc/86/99/80/813869980.db2.gz LLTHKXAPHFHRHB-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC001129839952 813870850 /nfs/dbraw/zinc/87/08/50/813870850.db2.gz CLEPXVCPQQIMAM-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CCOCCO ZINC001129842455 813871418 /nfs/dbraw/zinc/87/14/18/813871418.db2.gz YDJRHMSKIVAIEN-CYBMUJFWSA-N 2 1 287.404 -0.425 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129842537 813871569 /nfs/dbraw/zinc/87/15/69/813871569.db2.gz ZNSREHZKIIYGIS-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001129842004 813871698 /nfs/dbraw/zinc/87/16/98/813871698.db2.gz RQMVWRRMWNOHMJ-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC001129839948 813871793 /nfs/dbraw/zinc/87/17/93/813871793.db2.gz CLEPXVCPQQIMAM-NEPJUHHUSA-N 2 1 284.404 -0.170 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(N)=O ZINC001129856661 813872118 /nfs/dbraw/zinc/87/21/18/813872118.db2.gz VJAKMCWHSULPOY-JTQLQIEISA-N 2 1 256.350 -0.948 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1nnnn1C)[NH+](C)C ZINC001129947055 813881747 /nfs/dbraw/zinc/88/17/47/813881747.db2.gz HRWQMJYMFYZEEU-QWRGUYRKSA-N 2 1 297.407 -0.437 20 0 CBADMP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1nncn1C)[NH+](C)C ZINC001129947005 813882336 /nfs/dbraw/zinc/88/23/36/813882336.db2.gz FFANRXBGAWJYBI-LBPRGKRZSA-N 2 1 282.392 -0.393 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC)[C@@H](n2ccnn2)C1 ZINC001130107189 813908711 /nfs/dbraw/zinc/90/87/11/813908711.db2.gz IJVTVLQGDRJPTQ-OLZOCXBDSA-N 2 1 294.403 -0.019 20 0 CBADMP COCCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182702 813913233 /nfs/dbraw/zinc/91/32/33/813913233.db2.gz UEOYUFCTTCOFMN-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP COCCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182702 813913239 /nfs/dbraw/zinc/91/32/39/813913239.db2.gz UEOYUFCTTCOFMN-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182579 813914162 /nfs/dbraw/zinc/91/41/62/813914162.db2.gz OAGMOZMQIJLGJB-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182579 813914168 /nfs/dbraw/zinc/91/41/68/813914168.db2.gz OAGMOZMQIJLGJB-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP CCc1nnc(C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C)n1C ZINC001130198149 813915427 /nfs/dbraw/zinc/91/54/27/813915427.db2.gz XKXKBUHRTSYLPE-LLVKDONJSA-N 2 1 296.419 -0.077 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130187517 813915652 /nfs/dbraw/zinc/91/56/52/813915652.db2.gz WZOCPRQYNLKJAP-QWRGUYRKSA-N 2 1 268.361 -0.806 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130187516 813916835 /nfs/dbraw/zinc/91/68/35/813916835.db2.gz WZOCPRQYNLKJAP-MNOVXSKESA-N 2 1 268.361 -0.806 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)nn1 ZINC001130296720 813921939 /nfs/dbraw/zinc/92/19/39/813921939.db2.gz BLSBKWKFFLSIRU-LBPRGKRZSA-N 2 1 280.376 -0.495 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)nn1 ZINC001130296720 813921945 /nfs/dbraw/zinc/92/19/45/813921945.db2.gz BLSBKWKFFLSIRU-LBPRGKRZSA-N 2 1 280.376 -0.495 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)nn1 ZINC001130296719 813922784 /nfs/dbraw/zinc/92/27/84/813922784.db2.gz BLSBKWKFFLSIRU-GFCCVEGCSA-N 2 1 280.376 -0.495 20 0 CBADMP Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)nn1 ZINC001130296719 813922789 /nfs/dbraw/zinc/92/27/89/813922789.db2.gz BLSBKWKFFLSIRU-GFCCVEGCSA-N 2 1 280.376 -0.495 20 0 CBADMP Cn1nncc1C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130296723 813923066 /nfs/dbraw/zinc/92/30/66/813923066.db2.gz BNIRVNZYSNWKSA-GFCCVEGCSA-N 2 1 280.376 -0.495 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001130297285 813923973 /nfs/dbraw/zinc/92/39/73/813923973.db2.gz KCRQKOXUMPBCOE-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC001130303771 813924349 /nfs/dbraw/zinc/92/43/49/813924349.db2.gz JLUXVRWYMKKHSB-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP CN1CCC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001130300876 813925832 /nfs/dbraw/zinc/92/58/32/813925832.db2.gz WUPZLSXFSBDBJV-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001130427931 813938311 /nfs/dbraw/zinc/93/83/11/813938311.db2.gz VRFLBUUCRILIDX-NSHDSACASA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001130425352 813939206 /nfs/dbraw/zinc/93/92/06/813939206.db2.gz VERPYGUQXOTRRI-SNVBAGLBSA-N 2 1 298.387 -0.772 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCO ZINC001130708771 813968770 /nfs/dbraw/zinc/96/87/70/813968770.db2.gz HHROCZFYGCYENH-LBPRGKRZSA-N 2 1 257.378 -0.195 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001130709212 813969077 /nfs/dbraw/zinc/96/90/77/813969077.db2.gz XFYAMXSYHANVFI-NWDGAFQWSA-N 2 1 284.404 -0.314 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130713517 813970974 /nfs/dbraw/zinc/97/09/74/813970974.db2.gz RCPVKWAWTMCSPZ-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370891 814025344 /nfs/dbraw/zinc/02/53/44/814025344.db2.gz XPJQBYQZNVYAIK-UHFFFAOYSA-N 2 1 299.338 -0.018 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001131387415 814026075 /nfs/dbraw/zinc/02/60/75/814026075.db2.gz OHTDMBCYIYIUNO-JTQLQIEISA-N 2 1 267.333 -0.839 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CCn1cccn1 ZINC001131380666 814026330 /nfs/dbraw/zinc/02/63/30/814026330.db2.gz VXOOHXCVMPMBMP-UHFFFAOYSA-N 2 1 276.344 -0.206 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001131387416 814027264 /nfs/dbraw/zinc/02/72/64/814027264.db2.gz OHTDMBCYIYIUNO-SNVBAGLBSA-N 2 1 267.333 -0.839 20 0 CBADMP CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521597 814036828 /nfs/dbraw/zinc/03/68/28/814036828.db2.gz CMSSBCLVVFGTAB-AKJDGMEZSA-N 2 1 253.346 -0.425 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001131682393 814053407 /nfs/dbraw/zinc/05/34/07/814053407.db2.gz OQKFBVSYQJDSIU-DZGCQCFKSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CC(N)=O ZINC001132270658 814118130 /nfs/dbraw/zinc/11/81/30/814118130.db2.gz UVGNNGBUOVNDOC-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC(N)=O ZINC001132270658 814118137 /nfs/dbraw/zinc/11/81/37/814118137.db2.gz UVGNNGBUOVNDOC-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC(=O)N(C)C ZINC001132273738 814120223 /nfs/dbraw/zinc/12/02/23/814120223.db2.gz JBMVLQWKDHWTBB-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC(=O)N(C)C ZINC001132273738 814120229 /nfs/dbraw/zinc/12/02/29/814120229.db2.gz JBMVLQWKDHWTBB-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132273362 814120609 /nfs/dbraw/zinc/12/06/09/814120609.db2.gz FMVAJGNFOXTZII-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132273362 814120615 /nfs/dbraw/zinc/12/06/15/814120615.db2.gz FMVAJGNFOXTZII-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)COCC[NH+](C)C)C[N@H+]1CCO ZINC001132425611 814148236 /nfs/dbraw/zinc/14/82/36/814148236.db2.gz JTBNBUCGYSIRBQ-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)COCC[NH+](C)C)C[N@H+]1CCO ZINC001132425609 814148566 /nfs/dbraw/zinc/14/85/66/814148566.db2.gz JTBNBUCGYSIRBQ-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC)C1 ZINC001132738392 814182456 /nfs/dbraw/zinc/18/24/56/814182456.db2.gz BJAAKNFEKYMQDX-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]CC(=O)NCC)C1 ZINC001132736949 814182615 /nfs/dbraw/zinc/18/26/15/814182615.db2.gz GSIRPEPETNWGGM-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCF)C1 ZINC001132848430 814193411 /nfs/dbraw/zinc/19/34/11/814193411.db2.gz HWVFTPSEIOJBTO-NSHDSACASA-N 2 1 261.341 -0.229 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](C)O)C1 ZINC001132848352 814194036 /nfs/dbraw/zinc/19/40/36/814194036.db2.gz GBYSEKSPLNQVMZ-VXGBXAGGSA-N 2 1 273.377 -0.818 20 0 CBADMP CO[C@H](C)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132848821 814194141 /nfs/dbraw/zinc/19/41/41/814194141.db2.gz SWEKIAYBTCIKRF-CHWSQXEVSA-N 2 1 287.404 -0.164 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2cn(C)nn2)CC[N@@H+]1C ZINC001132886395 814197049 /nfs/dbraw/zinc/19/70/49/814197049.db2.gz KRJDJGNLTSYRAH-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2cn(C)nn2)CC[N@H+]1C ZINC001132886395 814197053 /nfs/dbraw/zinc/19/70/53/814197053.db2.gz KRJDJGNLTSYRAH-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CCCO)CC[N@H+]1C ZINC001132893718 814200074 /nfs/dbraw/zinc/20/00/74/814200074.db2.gz YHDUYAZLGHSPNJ-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001133000638 814206692 /nfs/dbraw/zinc/20/66/92/814206692.db2.gz GAJKJAVQDDCQSV-NSHDSACASA-N 2 1 293.371 -0.794 20 0 CBADMP Cn1ccc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001132993283 814206745 /nfs/dbraw/zinc/20/67/45/814206745.db2.gz RPIIDVGWVUCVGO-UHFFFAOYSA-N 2 1 279.388 -0.032 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)CCC[NH+](C)C)[nH]1 ZINC001133043340 814212183 /nfs/dbraw/zinc/21/21/83/814212183.db2.gz UQDKANFADBFWBU-UHFFFAOYSA-N 2 1 268.365 -0.339 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)c1nncn1C ZINC001133287288 814235887 /nfs/dbraw/zinc/23/58/87/814235887.db2.gz FSVAYYOMEJTVJW-NSHDSACASA-N 2 1 294.403 -0.076 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285785 814236239 /nfs/dbraw/zinc/23/62/39/814236239.db2.gz INTJYNUZVGLHDB-UHFFFAOYSA-N 2 1 279.388 -0.032 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133819780 814299298 /nfs/dbraw/zinc/29/92/98/814299298.db2.gz NWZLNIGMTFRROG-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)c1nnnn1C ZINC001133819419 814300539 /nfs/dbraw/zinc/30/05/39/814300539.db2.gz BNQDGILIIYYCIA-GHMZBOCLSA-N 2 1 295.391 -0.539 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)c1nnnn1C ZINC001133819419 814300547 /nfs/dbraw/zinc/30/05/47/814300547.db2.gz BNQDGILIIYYCIA-GHMZBOCLSA-N 2 1 295.391 -0.539 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)C(=O)N(C)C ZINC001133824091 814302180 /nfs/dbraw/zinc/30/21/80/814302180.db2.gz XMSHUMGTPLAAGO-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001133830747 814302569 /nfs/dbraw/zinc/30/25/69/814302569.db2.gz DFCFIHGCUASHNN-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001133845862 814307083 /nfs/dbraw/zinc/30/70/83/814307083.db2.gz OXFNZMQTNNIKBY-GFCCVEGCSA-N 2 1 297.403 -0.941 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001133846395 814307337 /nfs/dbraw/zinc/30/73/37/814307337.db2.gz ZZIIOLLRSOZILJ-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1nnnn1C ZINC001133846042 814307903 /nfs/dbraw/zinc/30/79/03/814307903.db2.gz SHKFLUPKXKIJCS-GHMZBOCLSA-N 2 1 295.391 -0.681 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1nnnn1C ZINC001133846042 814307911 /nfs/dbraw/zinc/30/79/11/814307911.db2.gz SHKFLUPKXKIJCS-GHMZBOCLSA-N 2 1 295.391 -0.681 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001133849640 814308826 /nfs/dbraw/zinc/30/88/26/814308826.db2.gz BDEMDBSMUUICQZ-VXGBXAGGSA-N 2 1 296.415 -0.299 20 0 CBADMP COC[C@@H](O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845954 814308945 /nfs/dbraw/zinc/30/89/45/814308945.db2.gz QMFKTSRWTIYAFE-NEPJUHHUSA-N 2 1 273.377 -0.959 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863325 814310324 /nfs/dbraw/zinc/31/03/24/814310324.db2.gz LDGIAOSRDHZXLG-QWHCGFSZSA-N 2 1 298.431 -0.338 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863924 814310535 /nfs/dbraw/zinc/31/05/35/814310535.db2.gz RHPDXNLTYQAEBI-NWDGAFQWSA-N 2 1 284.404 -0.584 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863925 814311344 /nfs/dbraw/zinc/31/13/44/814311344.db2.gz RHPDXNLTYQAEBI-RYUDHWBXSA-N 2 1 284.404 -0.584 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cnn(C)c2)C1 ZINC001133853655 814311718 /nfs/dbraw/zinc/31/17/18/814311718.db2.gz NOLNSDLIKGACPC-GFCCVEGCSA-N 2 1 279.388 -0.032 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001133868151 814313303 /nfs/dbraw/zinc/31/33/03/814313303.db2.gz ZXRVVEYEVVUKCJ-NEPJUHHUSA-N 2 1 282.388 -0.878 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001133863960 814314272 /nfs/dbraw/zinc/31/42/72/814314272.db2.gz RZWPPHYRBIFTCB-YPMHNXCESA-N 2 1 296.415 -0.584 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nccn1C ZINC001133866342 814314572 /nfs/dbraw/zinc/31/45/72/814314572.db2.gz LDIIFKXBFAWIFW-NWDGAFQWSA-N 2 1 279.388 -0.176 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nccn1C ZINC001133866342 814314576 /nfs/dbraw/zinc/31/45/76/814314576.db2.gz LDIIFKXBFAWIFW-NWDGAFQWSA-N 2 1 279.388 -0.176 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001133869276 814314972 /nfs/dbraw/zinc/31/49/72/814314972.db2.gz CHUOIIVBGGMZSS-YPMHNXCESA-N 2 1 294.403 -0.299 20 0 CBADMP CCn1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001133869276 814314982 /nfs/dbraw/zinc/31/49/82/814314982.db2.gz CHUOIIVBGGMZSS-YPMHNXCESA-N 2 1 294.403 -0.299 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133867606 814315764 /nfs/dbraw/zinc/31/57/64/814315764.db2.gz VZGZVINSEDRFEX-RYUDHWBXSA-N 2 1 284.404 -0.632 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133893466 814319798 /nfs/dbraw/zinc/31/97/98/814319798.db2.gz FNRUWMKNCBLMKR-UHFFFAOYSA-N 2 1 298.431 -0.050 20 0 CBADMP C[C@@H](O)C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896864 814320934 /nfs/dbraw/zinc/32/09/34/814320934.db2.gz SLYBQHYMVSUMQC-LLVKDONJSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@H](O)C[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133890056 814321216 /nfs/dbraw/zinc/32/12/16/814321216.db2.gz DZKCIHQSLZAAIP-NSHDSACASA-N 2 1 296.371 -0.029 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001133905477 814321782 /nfs/dbraw/zinc/32/17/82/814321782.db2.gz BJLGJYZBZAOKGP-JTQLQIEISA-N 2 1 272.393 -0.456 20 0 CBADMP CN1CC[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1=O ZINC001133908443 814322406 /nfs/dbraw/zinc/32/24/06/814322406.db2.gz RIRRZGOGNSJMFM-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](C(=O)NCC[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001133965909 814332114 /nfs/dbraw/zinc/33/21/14/814332114.db2.gz PCPGNILEDXRUBS-NSHDSACASA-N 2 1 268.365 -0.639 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134570803 814396932 /nfs/dbraw/zinc/39/69/32/814396932.db2.gz YXZWVGJBEOMUGQ-GFCCVEGCSA-N 2 1 298.387 -0.280 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001134570009 814397163 /nfs/dbraw/zinc/39/71/63/814397163.db2.gz FBICFSPYPQXHQX-NSHDSACASA-N 2 1 293.371 -0.399 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001134570107 814398642 /nfs/dbraw/zinc/39/86/42/814398642.db2.gz IZZPXKWPWKSDMS-UHFFFAOYSA-N 2 1 295.387 -0.200 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001134762776 814411646 /nfs/dbraw/zinc/41/16/46/814411646.db2.gz GCTVELXUCISBFJ-OLZOCXBDSA-N 2 1 296.415 -0.156 20 0 CBADMP Cn1nnnc1C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134775901 814413184 /nfs/dbraw/zinc/41/31/84/814413184.db2.gz BYTZRLXJIPNMGI-UHFFFAOYSA-N 2 1 295.391 -0.852 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001135305002 814460620 /nfs/dbraw/zinc/46/06/20/814460620.db2.gz FASOHUAIEWJJEG-SNVBAGLBSA-N 2 1 281.360 -0.449 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CCOCC1CC1 ZINC001135341427 814464769 /nfs/dbraw/zinc/46/47/69/814464769.db2.gz WANIPSHUNMYUNT-UHFFFAOYSA-N 2 1 299.415 -0.159 20 0 CBADMP COCCCC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135341493 814465597 /nfs/dbraw/zinc/46/55/97/814465597.db2.gz ZNQYETFLLOAJBZ-UHFFFAOYSA-N 2 1 287.404 -0.159 20 0 CBADMP C[N@@H+](CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O)C1CCC1 ZINC001159997018 815605786 /nfs/dbraw/zinc/60/57/86/815605786.db2.gz BFRKYHTYOKTPLE-CYBMUJFWSA-N 2 1 296.415 -0.155 20 0 CBADMP Cn1nccc1C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135349833 814468943 /nfs/dbraw/zinc/46/89/43/814468943.db2.gz FOQFURALNHUNSR-UHFFFAOYSA-N 2 1 295.387 -0.652 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]C[C@H]1CCCOC1 ZINC001135350453 814469265 /nfs/dbraw/zinc/46/92/65/814469265.db2.gz YQIFFKQWEQFFLD-CQSZACIVSA-N 2 1 299.415 -0.159 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997489 815606792 /nfs/dbraw/zinc/60/67/92/815606792.db2.gz OSIXYDHVKJSPSZ-UHFFFAOYSA-N 2 1 284.404 -0.297 20 0 CBADMP Cn1ncc(C[NH2+]CCCNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001159997811 815607847 /nfs/dbraw/zinc/60/78/47/815607847.db2.gz ZBVIHBJYHWWFHD-UHFFFAOYSA-N 2 1 294.403 -0.105 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001159997598 815607981 /nfs/dbraw/zinc/60/79/81/815607981.db2.gz SYXOEBSQVDTNKG-SNVBAGLBSA-N 2 1 270.377 -0.560 20 0 CBADMP C[N@@H+](CC(=O)NCCC[NH2+]CC(N)=O)C1CCC1 ZINC001159997576 815608126 /nfs/dbraw/zinc/60/81/26/815608126.db2.gz SJPGMCOOQJROAQ-UHFFFAOYSA-N 2 1 256.350 -0.948 20 0 CBADMP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001135511398 814481489 /nfs/dbraw/zinc/48/14/89/814481489.db2.gz QJUDYFPEDQCEDK-LLVKDONJSA-N 2 1 282.392 -0.076 20 0 CBADMP C[NH2+]CCC(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157715 815611660 /nfs/dbraw/zinc/61/16/60/815611660.db2.gz ZICVHMJQYKHUOP-BETUJISGSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001160272471 815614273 /nfs/dbraw/zinc/61/42/73/815614273.db2.gz AVXNAJYWKYCWLL-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@@H+]1CC[C@H]1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001139828202 814628181 /nfs/dbraw/zinc/62/81/81/814628181.db2.gz PEZLNKGPEPBQAO-GXTWGEPZSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[N@H+]1CC[C@H]1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001139828202 814628184 /nfs/dbraw/zinc/62/81/84/814628184.db2.gz PEZLNKGPEPBQAO-GXTWGEPZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC001141653981 814662805 /nfs/dbraw/zinc/66/28/05/814662805.db2.gz LUKVCSXQAOGJTO-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC(N)=O)CC1 ZINC001159628180 815581890 /nfs/dbraw/zinc/58/18/90/815581890.db2.gz DVLCNZCBLDFSRS-ZDUSSCGKSA-N 2 1 294.399 -0.296 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC(N)=O)CC1 ZINC001159628180 815581891 /nfs/dbraw/zinc/58/18/91/815581891.db2.gz DVLCNZCBLDFSRS-ZDUSSCGKSA-N 2 1 294.399 -0.296 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC(N)=O)CC1 ZINC001159628180 815581896 /nfs/dbraw/zinc/58/18/96/815581896.db2.gz DVLCNZCBLDFSRS-ZDUSSCGKSA-N 2 1 294.399 -0.296 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001159628180 815581901 /nfs/dbraw/zinc/58/19/01/815581901.db2.gz DVLCNZCBLDFSRS-ZDUSSCGKSA-N 2 1 294.399 -0.296 20 0 CBADMP C[NH+]1CC(C(=O)N(c2ccc(C[NH3+])cc2)S(C)(=O)=O)C1 ZINC001142599975 814723194 /nfs/dbraw/zinc/72/31/94/814723194.db2.gz BSVGPJDCBNYZNW-UHFFFAOYSA-N 2 1 297.380 -0.001 20 0 CBADMP C[C@H](C[NH+](C)C)NC(=O)CCN1CC[NH+](C)CC1 ZINC001143236749 814765056 /nfs/dbraw/zinc/76/50/56/814765056.db2.gz SUVOMCNLVYBXHS-GFCCVEGCSA-N 2 1 256.394 -0.310 20 0 CBADMP CN1CC[NH+](CCC(=O)NC2(CO)CC[NH+](C)CC2)CC1 ZINC001143238256 814766345 /nfs/dbraw/zinc/76/63/45/814766345.db2.gz JFOCDJZOXXYWSU-UHFFFAOYSA-N 2 1 298.431 -0.803 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]2C1 ZINC001144138018 814773597 /nfs/dbraw/zinc/77/35/97/814773597.db2.gz ZQWWMFLTGXOCJS-PHIMTYICSA-N 2 1 267.377 -0.388 20 0 CBADMP CN(CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1)C(N)=[NH2+] ZINC001144143648 814773697 /nfs/dbraw/zinc/77/36/97/814773697.db2.gz VRFCYAFSAHUWRL-LBPRGKRZSA-N 2 1 290.371 -0.403 20 0 CBADMP CN(CC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1)C(N)=[NH2+] ZINC001144143648 814773698 /nfs/dbraw/zinc/77/36/98/814773698.db2.gz VRFCYAFSAHUWRL-LBPRGKRZSA-N 2 1 290.371 -0.403 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001146333040 814837922 /nfs/dbraw/zinc/83/79/22/814837922.db2.gz LVYQFDSGOSFLAD-VHSXEESVSA-N 2 1 281.360 -0.450 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146711043 814843665 /nfs/dbraw/zinc/84/36/65/814843665.db2.gz NNDWANQAASALCL-GFCCVEGCSA-N 2 1 286.420 -0.051 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001146711184 814844284 /nfs/dbraw/zinc/84/42/84/814844284.db2.gz QDHCWHCAMNPLKR-UHFFFAOYSA-N 2 1 284.404 -0.440 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001146747264 814847200 /nfs/dbraw/zinc/84/72/00/814847200.db2.gz SRDDYBNSUXLADC-ZDUSSCGKSA-N 2 1 297.403 -0.708 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878247 814922278 /nfs/dbraw/zinc/92/22/78/814922278.db2.gz WJRYYRKCWHMUCM-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP CCn1ncnc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878247 814922285 /nfs/dbraw/zinc/92/22/85/814922285.db2.gz WJRYYRKCWHMUCM-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877216 814923165 /nfs/dbraw/zinc/92/31/65/814923165.db2.gz GXHZYNNXKOATCQ-GFCCVEGCSA-N 2 1 279.388 -0.032 20 0 CBADMP Cn1ccnc1C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877216 814923173 /nfs/dbraw/zinc/92/31/73/814923173.db2.gz GXHZYNNXKOATCQ-GFCCVEGCSA-N 2 1 279.388 -0.032 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878475 814923319 /nfs/dbraw/zinc/92/33/19/814923319.db2.gz ZSULTRSOPMCBCG-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001147892096 814923822 /nfs/dbraw/zinc/92/38/22/814923822.db2.gz HZGNUPPDQHWEGP-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001160451427 815623990 /nfs/dbraw/zinc/62/39/90/815623990.db2.gz OIZNVIPHMGOZKG-OLZOCXBDSA-N 2 1 296.415 -0.086 20 0 CBADMP C[NH2+]CC1CCN(C(=O)CC[C@H]([NH3+])C(=O)OC)CC1 ZINC001160456954 815625584 /nfs/dbraw/zinc/62/55/84/815625584.db2.gz VZLDJSSKYOWMEZ-NSHDSACASA-N 2 1 271.361 -0.275 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN(CCc2ccncc2)CC1 ZINC001160490270 815628587 /nfs/dbraw/zinc/62/85/87/815628587.db2.gz KJVSDOOEHCSDFG-AWEZNQCLSA-N 2 1 291.399 -0.556 20 0 CBADMP [NH3+]C[C@]1(Nc2ncc3c(n2)CNC3)CN2CCC1CC2 ZINC001160513125 815633355 /nfs/dbraw/zinc/63/33/55/815633355.db2.gz KJKFEIPUCLKZQX-AWEZNQCLSA-N 3 1 274.372 -0.085 20 0 CBADMP Cn1cc2c(n1)CCN(C(=O)C[NH2+]C1CC[NH2+]CC1)C2 ZINC001160559017 815637174 /nfs/dbraw/zinc/63/71/74/815637174.db2.gz ZEBTUTGQOSFFEV-UHFFFAOYSA-N 2 1 277.372 -0.354 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(c2ncccn2)CC1 ZINC001160589499 815642474 /nfs/dbraw/zinc/64/24/74/815642474.db2.gz WGOYQGVVJHDDGT-NSHDSACASA-N 2 1 263.345 -0.141 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)[C@@]3(N)CC[NH2+]C3)CC2)c1 ZINC001160602846 815643982 /nfs/dbraw/zinc/64/39/82/815643982.db2.gz RZVJWICKAJPTOZ-OAHLLOKOSA-N 2 1 289.383 -0.271 20 0 CBADMP Cc1cc[nH+]c(N2CCN(C(=O)[C@H]3C[NH2+]C[C@H]3O)CC2)c1 ZINC001160603705 815644370 /nfs/dbraw/zinc/64/43/70/815644370.db2.gz ZXVDGUACOUNMPH-QWHCGFSZSA-N 2 1 290.367 -0.381 20 0 CBADMP COC(=O)[C@]1(C)CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C1 ZINC001160638015 815647339 /nfs/dbraw/zinc/64/73/39/815647339.db2.gz XJPPSGLQLQLVSX-JOYOIKCWSA-N 2 1 257.334 -0.536 20 0 CBADMP C[NH+](C)C1(C)CN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001160644567 815650559 /nfs/dbraw/zinc/65/05/59/815650559.db2.gz HENLKEXVPRCTKS-JTQLQIEISA-N 2 1 251.334 -0.558 20 0 CBADMP CC1(N2CCOCC2)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001160669497 815655537 /nfs/dbraw/zinc/65/55/37/815655537.db2.gz GOSCWINLFTXNOX-CYBMUJFWSA-N 2 1 298.431 -0.234 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(C)C[C@@H]1CCC[NH2+]C1 ZINC001160696294 815658811 /nfs/dbraw/zinc/65/88/11/815658811.db2.gz ULUSOVXQPCGBET-MNOVXSKESA-N 2 1 271.361 -0.275 20 0 CBADMP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001160698662 815660378 /nfs/dbraw/zinc/66/03/78/815660378.db2.gz OHYPEDMBOBOSIE-TZMCWYRMSA-N 2 1 297.447 -0.805 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)C[C@H]2C1 ZINC001160704149 815660926 /nfs/dbraw/zinc/66/09/26/815660926.db2.gz HPIBDSJIRRMYDX-XQQFMLRXSA-N 2 1 294.399 -0.654 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])C3CCC(O)CC3)C[C@H]2C1 ZINC001160704606 815662233 /nfs/dbraw/zinc/66/22/33/815662233.db2.gz MBYLQDMVZVZDBG-XGVQBZMBSA-N 2 1 281.400 -0.115 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(n2ccnc2)CC1 ZINC001160726599 815664527 /nfs/dbraw/zinc/66/45/27/815664527.db2.gz QPRLTRXWMJDPNE-NSHDSACASA-N 2 1 251.334 -0.277 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC2(C[C@H](F)CO2)CC1 ZINC001160788204 815672335 /nfs/dbraw/zinc/67/23/35/815672335.db2.gz PPLIQZLMCXBBHN-UWVGGRQHSA-N 2 1 259.325 -0.218 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001160840759 815678052 /nfs/dbraw/zinc/67/80/52/815678052.db2.gz ZSJMUDGLNCNFKV-MNOVXSKESA-N 2 1 287.360 -0.944 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCCO)O1 ZINC001160857537 815680888 /nfs/dbraw/zinc/68/08/88/815680888.db2.gz JGYKRZLOJXISGW-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCCO)O1 ZINC001160857537 815680894 /nfs/dbraw/zinc/68/08/94/815680894.db2.gz JGYKRZLOJXISGW-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915757 815686599 /nfs/dbraw/zinc/68/65/99/815686599.db2.gz LOGYSIKFQZTYJU-JTQLQIEISA-N 2 1 293.327 -0.938 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967018 815691224 /nfs/dbraw/zinc/69/12/24/815691224.db2.gz IJMCDPJEEFLYFT-VXNVDRBHSA-N 2 1 273.287 -0.526 20 0 CBADMP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H](N)C3)C2 ZINC001160965240 815691710 /nfs/dbraw/zinc/69/17/10/815691710.db2.gz UXZOQQVTLMKMSY-FWZIUSJTSA-N 2 1 278.400 -0.382 20 0 CBADMP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCN1 ZINC001161016198 815695885 /nfs/dbraw/zinc/69/58/85/815695885.db2.gz SSZZGSHMZMSUIT-NQBHXWOUSA-N 2 1 252.362 -0.994 20 0 CBADMP Cc1cnc(NCCN2CC[NH2+]CC2=O)c(C[NH3+])c1 ZINC001161023869 815699692 /nfs/dbraw/zinc/69/96/92/815699692.db2.gz DXKMFQZLVFENBL-UHFFFAOYSA-N 2 1 263.345 -0.308 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001161033738 815701949 /nfs/dbraw/zinc/70/19/49/815701949.db2.gz ZAVHKLOQAPWNCJ-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001161041076 815703425 /nfs/dbraw/zinc/70/34/25/815703425.db2.gz FJDKEZZDDGYIOU-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001161041498 815703544 /nfs/dbraw/zinc/70/35/44/815703544.db2.gz JRZLYSIVALJGES-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161057584 815705101 /nfs/dbraw/zinc/70/51/01/815705101.db2.gz BIQWNTFWDNDYNT-OUAUKWLOSA-N 2 1 271.361 -0.005 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)C1 ZINC001161051126 815705695 /nfs/dbraw/zinc/70/56/95/815705695.db2.gz SQPUROZGSOWXGK-UTUOFQBUSA-N 2 1 254.378 -0.383 20 0 CBADMP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)C1 ZINC001161051126 815705702 /nfs/dbraw/zinc/70/57/02/815705702.db2.gz SQPUROZGSOWXGK-UTUOFQBUSA-N 2 1 254.378 -0.383 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)C1 ZINC001161051126 815705709 /nfs/dbraw/zinc/70/57/09/815705709.db2.gz SQPUROZGSOWXGK-UTUOFQBUSA-N 2 1 254.378 -0.383 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2[NH2+]CC[C@H]2O)C1 ZINC001161050810 815706298 /nfs/dbraw/zinc/70/62/98/815706298.db2.gz POUBEOBEEORIAW-UTUOFQBUSA-N 2 1 255.362 -0.350 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C[C@H]21 ZINC001161081350 815709557 /nfs/dbraw/zinc/70/95/57/815709557.db2.gz ITJSUPIDGDNUIN-KGYLQXTDSA-N 2 1 277.372 -0.168 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@@H]21 ZINC001161082918 815710830 /nfs/dbraw/zinc/71/08/30/815710830.db2.gz QPUSVXYMHWUMBZ-SRVKXCTJSA-N 2 1 252.362 -0.900 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@H]21 ZINC001161082049 815711800 /nfs/dbraw/zinc/71/18/00/815711800.db2.gz NJWKLGLBOCUEQN-WYUUTHIRSA-N 2 1 253.346 -0.738 20 0 CBADMP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001161084012 815711847 /nfs/dbraw/zinc/71/18/47/815711847.db2.gz VYGYDYSEVUABPP-UBHSHLNASA-N 2 1 291.399 -0.158 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@H]21 ZINC001161083188 815711878 /nfs/dbraw/zinc/71/18/78/815711878.db2.gz RCKZHNCCSYYEPG-GRYCIOLGSA-N 3 1 254.378 -0.395 20 0 CBADMP CCOC(=O)[C@H]1COCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001161093762 815714819 /nfs/dbraw/zinc/71/48/19/815714819.db2.gz WMRZSNHISYQCGQ-GFCCVEGCSA-N 2 1 299.371 -0.882 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)CNCC[NH3+])C[C@H]2C1 ZINC001161174625 815724215 /nfs/dbraw/zinc/72/42/15/815724215.db2.gz AZGNTFGFONYXCU-TXEJJXNPSA-N 2 1 254.378 -0.665 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]2C1 ZINC001161175429 815724442 /nfs/dbraw/zinc/72/44/42/815724442.db2.gz LWVVJMTWMXTEGI-HZSPNIEDSA-N 3 1 292.427 -0.404 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCCN(c2cccnc2)CC1 ZINC001161239029 815733897 /nfs/dbraw/zinc/73/38/97/815733897.db2.gz GBPNAOWCACVQFQ-ZDUSSCGKSA-N 2 1 277.372 -0.204 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001161313396 815739652 /nfs/dbraw/zinc/73/96/52/815739652.db2.gz KYUVTKUFZZFJPV-NSHDSACASA-N 2 1 297.334 -0.338 20 0 CBADMP CCN(C(=O)[C@@]1(C)COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161329538 815741289 /nfs/dbraw/zinc/74/12/89/815741289.db2.gz FHCJKKUJCSTOAA-DGCLKSJQSA-N 2 1 255.362 -0.035 20 0 CBADMP N[C@]1(C(=O)N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)CCC[NH2+]C1 ZINC001161378239 815748274 /nfs/dbraw/zinc/74/82/74/815748274.db2.gz KXMLBCBSZADGNG-DZGCQCFKSA-N 3 1 295.431 -0.909 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161381739 815749000 /nfs/dbraw/zinc/74/90/00/815749000.db2.gz ZKVUCMPYNBGHDO-JQWIXIFHSA-N 3 1 254.378 -0.395 20 0 CBADMP Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC001161385837 815749081 /nfs/dbraw/zinc/74/90/81/815749081.db2.gz CEQNTRLBUBGXIB-JHJVBQTASA-N 2 1 291.351 -0.050 20 0 CBADMP COc1cc(O[C@@H]2CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2)ccn1 ZINC001161393339 815749985 /nfs/dbraw/zinc/74/99/85/815749985.db2.gz FSWSQVGSINBHOV-NEPJUHHUSA-N 2 1 294.355 -0.254 20 0 CBADMP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@@H]12 ZINC001161413841 815751298 /nfs/dbraw/zinc/75/12/98/815751298.db2.gz RKMHQPXEGSAFCY-CYZMBNFOSA-N 3 1 266.389 -0.476 20 0 CBADMP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@H]12 ZINC001161413847 815752132 /nfs/dbraw/zinc/75/21/32/815752132.db2.gz RKMHQPXEGSAFCY-WCFLWFBJSA-N 3 1 266.389 -0.476 20 0 CBADMP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161424065 815753765 /nfs/dbraw/zinc/75/37/65/815753765.db2.gz XTQGALGCUVHSDF-RBSFLKMASA-N 2 1 292.427 -0.023 20 0 CBADMP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161420291 815753789 /nfs/dbraw/zinc/75/37/89/815753789.db2.gz FRVRELWOQBKRPW-JQWIXIFHSA-N 2 1 263.345 -0.794 20 0 CBADMP C[NH+](C)CCN(C(=O)[C@@H]1COC(C)(C)N1)[C@@H]1CCC[NH2+]C1 ZINC001161447210 815756022 /nfs/dbraw/zinc/75/60/22/815756022.db2.gz WGYJWHJARCKPHG-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001161470855 815758812 /nfs/dbraw/zinc/75/88/12/815758812.db2.gz LEWLONGZSLMDSB-QWRGUYRKSA-N 2 1 290.358 -0.006 20 0 CBADMP C[C@@]1(C[NH3+])CCCN(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001161489972 815761609 /nfs/dbraw/zinc/76/16/09/815761609.db2.gz SMZYQDBMRHYWFT-YPMHNXCESA-N 2 1 265.361 -0.133 20 0 CBADMP C[C@]1(C[NH3+])CCCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001161489490 815761829 /nfs/dbraw/zinc/76/18/29/815761829.db2.gz UAIWLLARHKGPCO-UKRRQHHQSA-N 2 1 297.447 -0.676 20 0 CBADMP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCNC2(CC2)C1 ZINC001161550256 815770671 /nfs/dbraw/zinc/77/06/71/815770671.db2.gz FZDJREMCGGYEFD-NSHDSACASA-N 2 1 254.378 -0.203 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001161644321 815775845 /nfs/dbraw/zinc/77/58/45/815775845.db2.gz LMFSAELXIDCFBM-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](O)[C@@H](CO)Nc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001161771280 815784982 /nfs/dbraw/zinc/78/49/82/815784982.db2.gz SINRUQSUCWAXRC-NXEZZACHSA-N 2 1 267.333 -0.960 20 0 CBADMP CS(=O)(=O)N(CC[NH3+])c1ccc2[nH+]c(N)[nH]c2c1 ZINC001162128864 815804951 /nfs/dbraw/zinc/80/49/51/815804951.db2.gz MCZLOHDQWZOJIT-UHFFFAOYSA-N 2 1 269.330 -0.130 20 0 CBADMP C[NH+]1CCN(c2ncc(-n3cnc(C[NH3+])c3)cn2)CC1 ZINC001162302139 815811126 /nfs/dbraw/zinc/81/11/26/815811126.db2.gz LRHWZBHLNVBGKM-UHFFFAOYSA-N 2 1 273.344 -0.127 20 0 CBADMP NC(=O)C1(Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)CC1 ZINC001162543315 815833763 /nfs/dbraw/zinc/83/37/63/815833763.db2.gz ITTAEQSTYGGRST-UHFFFAOYSA-N 2 1 262.317 -0.684 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001162627482 815837213 /nfs/dbraw/zinc/83/72/13/815837213.db2.gz IUKIDIDKNNFYGA-UHFFFAOYSA-N 2 1 293.371 -0.480 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001162626864 815837276 /nfs/dbraw/zinc/83/72/76/815837276.db2.gz BYFINIPXSJPVRG-UHFFFAOYSA-N 2 1 291.359 -0.384 20 0 CBADMP O=C(NCCC[NH2+]CCCO)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162851324 815846004 /nfs/dbraw/zinc/84/60/04/815846004.db2.gz NZDWCYJXKZLJBN-JVWICGRDSA-N 2 1 297.399 -0.672 20 0 CBADMP COc1[nH+]ccc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c1N ZINC001163239306 815870231 /nfs/dbraw/zinc/87/02/31/815870231.db2.gz FAKZAULMKGHYSL-PELKAZGASA-N 2 1 263.301 -0.338 20 0 CBADMP C[NH+](C)CCC(=O)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001298412548 816681737 /nfs/dbraw/zinc/68/17/37/816681737.db2.gz HHWQBPVUOBOIKL-ZFDPJTLLSA-N 2 1 296.415 -0.322 20 0 CBADMP C[C@@H](CC[NH+](C)C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001300299056 816739641 /nfs/dbraw/zinc/73/96/41/816739641.db2.gz JEDRJDPEASTJJJ-WCQYABFASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H](CC[NH+](C)C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001300299056 816739648 /nfs/dbraw/zinc/73/96/48/816739648.db2.gz JEDRJDPEASTJJJ-WCQYABFASA-N 2 1 269.389 -0.148 20 0 CBADMP Cn1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cn1 ZINC001308250132 816822303 /nfs/dbraw/zinc/82/23/03/816822303.db2.gz CMPGNRUCJLSASL-UHFFFAOYSA-N 2 1 265.361 -0.326 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CCOCCO ZINC001316778734 816879982 /nfs/dbraw/zinc/87/99/82/816879982.db2.gz VAJNJBLOJYPHNM-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCOCCO ZINC001316778734 816879987 /nfs/dbraw/zinc/87/99/87/816879987.db2.gz VAJNJBLOJYPHNM-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CCOCCO ZINC001316778734 816879993 /nfs/dbraw/zinc/87/99/93/816879993.db2.gz VAJNJBLOJYPHNM-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)[C@H]2CCNC2=O)C1 ZINC001316851439 816892845 /nfs/dbraw/zinc/89/28/45/816892845.db2.gz WSEIBLQCLCJCEW-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001316851439 816892853 /nfs/dbraw/zinc/89/28/53/816892853.db2.gz WSEIBLQCLCJCEW-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001316851439 816892863 /nfs/dbraw/zinc/89/28/63/816892863.db2.gz WSEIBLQCLCJCEW-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001316865767 816894196 /nfs/dbraw/zinc/89/41/96/816894196.db2.gz SCKDEUYKZAZYRS-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](O)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001316865767 816894202 /nfs/dbraw/zinc/89/42/02/816894202.db2.gz SCKDEUYKZAZYRS-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](O)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001316865767 816894211 /nfs/dbraw/zinc/89/42/11/816894211.db2.gz SCKDEUYKZAZYRS-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](O)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001316865769 816895621 /nfs/dbraw/zinc/89/56/21/816895621.db2.gz SCKDEUYKZAZYRS-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001316865769 816895625 /nfs/dbraw/zinc/89/56/25/816895625.db2.gz SCKDEUYKZAZYRS-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001316865769 816895635 /nfs/dbraw/zinc/89/56/35/816895635.db2.gz SCKDEUYKZAZYRS-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@@H+](CCCNC(=O)CC[NH+](C)C)[C@H]1CCNC1=O ZINC001316901335 816899809 /nfs/dbraw/zinc/89/98/09/816899809.db2.gz GSKRSZDNINVUML-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CC(N)=O ZINC001316895291 816901010 /nfs/dbraw/zinc/90/10/10/816901010.db2.gz NCHXIGLRSRUHFQ-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)CC(N)=O ZINC001316895291 816901015 /nfs/dbraw/zinc/90/10/15/816901015.db2.gz NCHXIGLRSRUHFQ-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)CC(N)=O ZINC001316895291 816901017 /nfs/dbraw/zinc/90/10/17/816901017.db2.gz NCHXIGLRSRUHFQ-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC(N)=O ZINC001316909926 816903067 /nfs/dbraw/zinc/90/30/67/816903067.db2.gz WXSGJLZDVAAXLB-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(N)=O ZINC001316909926 816903074 /nfs/dbraw/zinc/90/30/74/816903074.db2.gz WXSGJLZDVAAXLB-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(N)=O ZINC001316909926 816903080 /nfs/dbraw/zinc/90/30/80/816903080.db2.gz WXSGJLZDVAAXLB-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](C[C@H](C)O)C1 ZINC001316990605 816917395 /nfs/dbraw/zinc/91/73/95/816917395.db2.gz CHTQKWCQDKRSGE-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001316990605 816917401 /nfs/dbraw/zinc/91/74/01/816917401.db2.gz CHTQKWCQDKRSGE-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001316990605 816917402 /nfs/dbraw/zinc/91/74/02/816917402.db2.gz CHTQKWCQDKRSGE-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CCCO)C2CC2)C1 ZINC001317035203 816922987 /nfs/dbraw/zinc/92/29/87/816922987.db2.gz RCINENMNUWOTQH-ZIAGYGMSSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CCCO)C2CC2)C1 ZINC001317035203 816922993 /nfs/dbraw/zinc/92/29/93/816922993.db2.gz RCINENMNUWOTQH-ZIAGYGMSSA-N 2 1 299.415 -0.426 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001317068056 816927099 /nfs/dbraw/zinc/92/70/99/816927099.db2.gz OSOLDXCFUDTBPW-ZDUSSCGKSA-N 2 1 296.371 -0.609 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1)C1CCC1 ZINC001317112575 816933470 /nfs/dbraw/zinc/93/34/70/816933470.db2.gz BVVZTYFFEXKQFD-PHIMTYICSA-N 2 1 255.362 -0.300 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CCC[C@H](C[NH2+]CCO)C1 ZINC001317167885 816939222 /nfs/dbraw/zinc/93/92/22/816939222.db2.gz WUTYLRXAQWMFDD-CQSZACIVSA-N 2 1 299.415 -0.471 20 0 CBADMP CCOCC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001317390976 816970306 /nfs/dbraw/zinc/97/03/06/816970306.db2.gz PLBCMWWHFFLDPU-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001317390976 816970311 /nfs/dbraw/zinc/97/03/11/816970311.db2.gz PLBCMWWHFFLDPU-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001317511453 816999723 /nfs/dbraw/zinc/99/97/23/816999723.db2.gz ASXKXQBYCJCJFN-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CCC[N@@H+]2CCO)C1 ZINC001317511453 816999730 /nfs/dbraw/zinc/99/97/30/816999730.db2.gz ASXKXQBYCJCJFN-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CCC[N@H+]2CCO)C1 ZINC001317511453 816999735 /nfs/dbraw/zinc/99/97/35/816999735.db2.gz ASXKXQBYCJCJFN-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@@H+](CCO)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317862410 817053438 /nfs/dbraw/zinc/05/34/38/817053438.db2.gz WKRPFNGCRIBXCD-CYBMUJFWSA-N 2 1 269.389 -0.145 20 0 CBADMP C[N@@H+](CC(=O)NCC1C[NH+](CCCO)C1)C1CCC1 ZINC001318128010 817078714 /nfs/dbraw/zinc/07/87/14/817078714.db2.gz FITFMRMGSAGVET-UHFFFAOYSA-N 2 1 269.389 -0.099 20 0 CBADMP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](C)O ZINC001318225300 817088439 /nfs/dbraw/zinc/08/84/39/817088439.db2.gz XOVSVHNHOJFUNJ-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](C)O ZINC001318225300 817088446 /nfs/dbraw/zinc/08/84/46/817088446.db2.gz XOVSVHNHOJFUNJ-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](C)O ZINC001318225300 817088450 /nfs/dbraw/zinc/08/84/50/817088450.db2.gz XOVSVHNHOJFUNJ-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](C)O ZINC001318225300 817088453 /nfs/dbraw/zinc/08/84/53/817088453.db2.gz XOVSVHNHOJFUNJ-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOCCO ZINC001318216615 817088558 /nfs/dbraw/zinc/08/85/58/817088558.db2.gz QMBSBKWYVMGUCC-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOCCO ZINC001318216615 817088563 /nfs/dbraw/zinc/08/85/63/817088563.db2.gz QMBSBKWYVMGUCC-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)C[NH2+]CCO ZINC001319217725 817176926 /nfs/dbraw/zinc/17/69/26/817176926.db2.gz NJKREJCPCIDIMR-SNVBAGLBSA-N 2 1 254.334 -0.474 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCn1cccn1 ZINC001320204694 817291491 /nfs/dbraw/zinc/29/14/91/817291491.db2.gz QGTPDGPRRXIOMR-QWHCGFSZSA-N 2 1 295.387 -0.956 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCn1cccn1 ZINC001320204693 817291949 /nfs/dbraw/zinc/29/19/49/817291949.db2.gz QGTPDGPRRXIOMR-OLZOCXBDSA-N 2 1 295.387 -0.956 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCOC)CC[N@H+]1C ZINC001320230525 817300221 /nfs/dbraw/zinc/30/02/21/817300221.db2.gz KDCRRSHCZVKEJM-RWMBFGLXSA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001320238709 817301078 /nfs/dbraw/zinc/30/10/78/817301078.db2.gz RQCRBDDRSNWOJU-NEPJUHHUSA-N 2 1 257.378 -0.054 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](O)C[NH2+]CCO)C1 ZINC001320262353 817307072 /nfs/dbraw/zinc/30/70/72/817307072.db2.gz GYPQUNUZLCZFKI-CHWSQXEVSA-N 2 1 287.404 -0.833 20 0 CBADMP CCC[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001320313838 817321345 /nfs/dbraw/zinc/32/13/45/817321345.db2.gz OBHJKHSPQWVOEN-LLVKDONJSA-N 2 1 254.334 -0.332 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)C[NH2+]C(C)(C)C)CC1 ZINC001320486341 817344484 /nfs/dbraw/zinc/34/44/84/817344484.db2.gz MYXMEQQVAQCHPO-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](CC[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001320516179 817348511 /nfs/dbraw/zinc/34/85/11/817348511.db2.gz HJZQHXBWZWABPZ-WCQYABFASA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001320738532 817385161 /nfs/dbraw/zinc/38/51/61/817385161.db2.gz YVAVEDWNZLXRRG-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001320839991 817401204 /nfs/dbraw/zinc/40/12/04/817401204.db2.gz HEFDIMAIQATGJA-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001320922607 817411074 /nfs/dbraw/zinc/41/10/74/817411074.db2.gz VADURQUYWIJIHL-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP COCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001320998070 817425977 /nfs/dbraw/zinc/42/59/77/817425977.db2.gz MRMJIJANQIIPID-PCAWENJQSA-N 2 1 255.362 -0.011 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC/C=C/C[NH2+]CC(=O)N1CCC1 ZINC001321418972 817497667 /nfs/dbraw/zinc/49/76/67/817497667.db2.gz NBFBCVWJOOKQEC-SNAWJCMRSA-N 2 1 296.415 -0.179 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1O)[NH+](C)C ZINC001219869453 824905359 /nfs/dbraw/zinc/90/53/59/824905359.db2.gz MPSWIYGBIOOQGE-UTUOFQBUSA-N 2 1 257.378 -0.104 20 0 CBADMP C[NH+](C)CCNC(=S)NCCC[N@@H+](C)CCO ZINC001249853509 825750559 /nfs/dbraw/zinc/75/05/59/825750559.db2.gz NWNBGKUFGOHBLD-UHFFFAOYSA-N 2 1 262.423 -0.674 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[C@@H](O)C[NH2+]C)C1 ZINC001263160962 826746086 /nfs/dbraw/zinc/74/60/86/826746086.db2.gz SDPIWAMVIULLSX-WOPDTQHZSA-N 2 1 257.378 -0.197 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001163821797 819854021 /nfs/dbraw/zinc/85/40/21/819854021.db2.gz QFNCIBOJCDTVGF-LLVKDONJSA-N 2 1 282.388 -0.558 20 0 CBADMP Cc1cc(N2CCOCC2)[nH+]cc1N(CC[NH3+])CCO ZINC001163832300 819856036 /nfs/dbraw/zinc/85/60/36/819856036.db2.gz LPPNWCGRKFBOTQ-UHFFFAOYSA-N 2 1 280.372 -0.016 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H](C)O)C1 ZINC001164538299 819922230 /nfs/dbraw/zinc/92/22/30/819922230.db2.gz CPCPQQGCMKGDHM-QWHCGFSZSA-N 2 1 287.404 -0.428 20 0 CBADMP [NH3+]C1CCN(c2cc[nH+]c(N3C[C@H](O)[C@H](CO)C3)n2)CC1 ZINC001164546071 819926398 /nfs/dbraw/zinc/92/63/98/819926398.db2.gz YBEIVDDVQNMHIM-JQWIXIFHSA-N 2 1 293.371 -0.807 20 0 CBADMP C[NH+](C)Cc1ccnc(N2CC[NH2+][C@@H](C(N)=O)C2)c1 ZINC001165073046 819935184 /nfs/dbraw/zinc/93/51/84/819935184.db2.gz UMXPHIGXXPOUJR-LLVKDONJSA-N 2 1 263.345 -0.593 20 0 CBADMP c1nc2c(c(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)n1)C[NH2+]C2 ZINC001165269649 819946041 /nfs/dbraw/zinc/94/60/41/819946041.db2.gz QKHVJSPVTLBOCJ-JQWIXIFHSA-N 2 1 261.329 -0.353 20 0 CBADMP O=C1COc2cc[nH+]c(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c2N1 ZINC001165271020 819946482 /nfs/dbraw/zinc/94/64/82/819946482.db2.gz NDYCLIHNGHCIAA-ONGXEEELSA-N 2 1 290.323 -0.020 20 0 CBADMP C[NH+]1CCN(c2nccc(N3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)n2)CC1 ZINC001165384642 819960118 /nfs/dbraw/zinc/96/01/18/819960118.db2.gz HMUWAMSUMOAWPS-PTEHBNRSSA-N 2 1 274.372 -0.378 20 0 CBADMP Cc1nnc(C[NH2+]CCCNC(=O)CC[NH+](C)C)o1 ZINC001165793811 819983976 /nfs/dbraw/zinc/98/39/76/819983976.db2.gz BFHDZLQYHLREHG-UHFFFAOYSA-N 2 1 269.349 -0.074 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001166626791 820009473 /nfs/dbraw/zinc/00/94/73/820009473.db2.gz JKFAODCJTBTIDD-GFCCVEGCSA-N 2 1 294.403 -0.105 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001166626464 820009954 /nfs/dbraw/zinc/00/99/54/820009954.db2.gz GTVUJBJUUCRWRR-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001166634268 820010666 /nfs/dbraw/zinc/01/06/66/820010666.db2.gz RPGZESQLJPBDIT-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CN1CC[C@@H](Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)C1=O ZINC001166648018 820011829 /nfs/dbraw/zinc/01/18/29/820011829.db2.gz VHNWQNLNKDVYHX-SNVBAGLBSA-N 2 1 276.344 -0.471 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001166677802 820013479 /nfs/dbraw/zinc/01/34/79/820013479.db2.gz NKESSIQMJYXAGQ-OLZOCXBDSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C(N)=O ZINC001166676647 820013922 /nfs/dbraw/zinc/01/39/22/820013922.db2.gz AJUDTIDPJQPVPF-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP COC[C@H](O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166678133 820014422 /nfs/dbraw/zinc/01/44/22/820014422.db2.gz SWAWYXZQWSGAAD-CHWSQXEVSA-N 2 1 287.404 -0.569 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2cnn(C)n2)C1 ZINC001166667469 820014784 /nfs/dbraw/zinc/01/47/84/820014784.db2.gz BQPZBKDSRNRQJM-LBPRGKRZSA-N 2 1 294.403 -0.247 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1cnon1 ZINC001166692883 820016003 /nfs/dbraw/zinc/01/60/03/820016003.db2.gz QXXHIEMIHYLVGO-PWSUYJOCSA-N 2 1 281.360 -0.137 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001166693481 820016495 /nfs/dbraw/zinc/01/64/95/820016495.db2.gz SPLMQEBUWJCRSZ-CHWSQXEVSA-N 2 1 294.403 -0.428 20 0 CBADMP CC[C@@H]([NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C(N)=O ZINC001166678511 820016732 /nfs/dbraw/zinc/01/67/32/820016732.db2.gz WAJOAFPCXOWWHH-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCCO ZINC001166691826 820016758 /nfs/dbraw/zinc/01/67/58/820016758.db2.gz NZKQTQJOBZRHGU-VXGBXAGGSA-N 2 1 257.378 -0.338 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCC[NH2+]CC(N)=O)C2 ZINC001166699871 820017489 /nfs/dbraw/zinc/01/74/89/820017489.db2.gz YGINWPZWYOFYCI-LLVKDONJSA-N 2 1 293.371 -0.665 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001166715143 820018089 /nfs/dbraw/zinc/01/80/89/820018089.db2.gz SMVMADNZJDLUJE-WCQYABFASA-N 2 1 294.403 -0.391 20 0 CBADMP [NH3+]C[C@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)CCO1 ZINC001166940453 820049541 /nfs/dbraw/zinc/04/95/41/820049541.db2.gz HDMSWDFTPKNSID-NSHDSACASA-N 2 1 279.344 -0.523 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1cnc2c(c1)C[NH2+]CC2 ZINC001167359013 820086238 /nfs/dbraw/zinc/08/62/38/820086238.db2.gz HEYNXEVDIHIWOA-UHFFFAOYSA-N 2 1 256.313 -0.149 20 0 CBADMP CC(C)(CNc1nc(N2CC[NH2+]CC2)cc[nH+]1)C(N)=O ZINC001167600153 820106341 /nfs/dbraw/zinc/10/63/41/820106341.db2.gz ILIWTXMNTVTMRV-UHFFFAOYSA-N 2 1 278.360 -0.190 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167815036 820121535 /nfs/dbraw/zinc/12/15/35/820121535.db2.gz MOMGJJNJQBRHCV-UHFFFAOYSA-N 2 1 284.404 -0.310 20 0 CBADMP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168029177 820138559 /nfs/dbraw/zinc/13/85/59/820138559.db2.gz DHXXYVQYPDDKFV-NEPJUHHUSA-N 2 1 282.388 -0.416 20 0 CBADMP NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168029184 820138573 /nfs/dbraw/zinc/13/85/73/820138573.db2.gz DHXXYVQYPDDKFV-VXGBXAGGSA-N 2 1 282.388 -0.416 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001168136069 820145760 /nfs/dbraw/zinc/14/57/60/820145760.db2.gz FKCIXOYTJJXGSB-NSHDSACASA-N 2 1 282.388 -0.701 20 0 CBADMP C[C@H](O)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417595 820162722 /nfs/dbraw/zinc/16/27/22/820162722.db2.gz VJCJVNYNQIXMNA-LBPRGKRZSA-N 2 1 273.377 -0.815 20 0 CBADMP CSc1nc(C2C[NH2+]C2)cc(-n2cnc(C[NH3+])n2)n1 ZINC001168748990 820172563 /nfs/dbraw/zinc/17/25/63/820172563.db2.gz DIUZPTPSFAZOIV-UHFFFAOYSA-N 2 1 277.357 -0.075 20 0 CBADMP COCC[N@@H+](C)Cc1ccnc(-n2nnnc2C[NH3+])c1 ZINC001168921213 820193044 /nfs/dbraw/zinc/19/30/44/820193044.db2.gz VROSWGNGEBYGTH-UHFFFAOYSA-N 2 1 277.332 -0.406 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CC(=O)NC1=O)C2 ZINC001169108052 820208717 /nfs/dbraw/zinc/20/87/17/820208717.db2.gz NNTWQKDBGSEOMR-DBIOUOCHSA-N 2 1 251.330 -0.136 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCN(CC[NH3+])CC2)CO1 ZINC001169320196 820230261 /nfs/dbraw/zinc/23/02/61/820230261.db2.gz JBMFONRWLRHLSB-OLZOCXBDSA-N 2 1 285.388 -0.327 20 0 CBADMP CC(=O)N1CC[C@@H]([NH+]2CCN(CCC[NH3+])CC2)C1 ZINC001169507126 820250056 /nfs/dbraw/zinc/25/00/56/820250056.db2.gz OPLAWMFLVWHJOD-CYBMUJFWSA-N 2 1 254.378 -0.426 20 0 CBADMP CC(=O)N1CC[C@H]([N@@H+](C)CCN2CC[NH+](C)CC2)C1 ZINC001169555654 820255608 /nfs/dbraw/zinc/25/56/08/820255608.db2.gz JTSBGGMDJXBCGM-AWEZNQCLSA-N 2 1 268.405 -0.214 20 0 CBADMP CC(=O)N1CCC[C@H]([NH2+]CCC[N@@H+](C)CCO)C1 ZINC001169594135 820259710 /nfs/dbraw/zinc/25/97/10/820259710.db2.gz KQPVJFIHHCLSSH-ZDUSSCGKSA-N 2 1 257.378 -0.099 20 0 CBADMP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170512188 820296800 /nfs/dbraw/zinc/29/68/00/820296800.db2.gz IHZTVCDSMGJSHN-BBBLOLIVSA-N 2 1 258.318 -0.334 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CCOCCO ZINC001170211465 820280515 /nfs/dbraw/zinc/28/05/15/820280515.db2.gz MNGONYSXCWNQTF-UHFFFAOYSA-N 2 1 275.393 -0.567 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H](C)C(=O)NC ZINC001170222937 820282234 /nfs/dbraw/zinc/28/22/34/820282234.db2.gz OGPAYVJCGLIZPA-LLVKDONJSA-N 2 1 272.393 -0.441 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1nnnn1C ZINC001170221965 820283213 /nfs/dbraw/zinc/28/32/13/820283213.db2.gz GECSIIDKQBGYCM-LLVKDONJSA-N 2 1 297.407 -0.291 20 0 CBADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001170470266 820293068 /nfs/dbraw/zinc/29/30/68/820293068.db2.gz YUVUMDRKFROBFU-PHIMTYICSA-N 2 1 262.313 -0.214 20 0 CBADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001170470266 820293077 /nfs/dbraw/zinc/29/30/77/820293077.db2.gz YUVUMDRKFROBFU-PHIMTYICSA-N 2 1 262.313 -0.214 20 0 CBADMP CN(C)c1cc[nH+]c(NCCOCCOCC[NH3+])n1 ZINC001170504947 820296657 /nfs/dbraw/zinc/29/66/57/820296657.db2.gz GZVWSKJCSVOTPT-UHFFFAOYSA-N 2 1 269.349 -0.054 20 0 CBADMP C[C@@H](Nc1nc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001170557518 820305756 /nfs/dbraw/zinc/30/57/56/820305756.db2.gz CKBWQPWMNAQMSS-VXGBXAGGSA-N 3 1 292.387 -0.325 20 0 CBADMP OC[C@@H]1C[NH2+]C[C@H]1Nc1nc(Cl)nc2c1C[NH2+]C2 ZINC001170771031 820314424 /nfs/dbraw/zinc/31/44/24/820314424.db2.gz AJZMEBSSZJURPB-POYBYMJQSA-N 2 1 269.736 -0.275 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCCOCC1 ZINC001170774903 820318975 /nfs/dbraw/zinc/31/89/75/820318975.db2.gz DSLQOLBQCOPLCB-QWRGUYRKSA-N 2 1 286.376 -0.050 20 0 CBADMP C[NH+]1CCN(c2cc(N[C@@H]3C[NH2+]C[C@@H]3CO)ncn2)CC1 ZINC001170777469 820319738 /nfs/dbraw/zinc/31/97/38/820319738.db2.gz QKBKOKQTVJOYAQ-VXGBXAGGSA-N 2 1 292.387 -0.779 20 0 CBADMP COC(=O)[C@@H]([NH3+])Cc1ccc(N[C@H]2C[NH2+]C[C@H]2CO)cc1 ZINC001170778336 820321513 /nfs/dbraw/zinc/32/15/13/820321513.db2.gz LINWQFWWEXESIC-UBHSHLNASA-N 2 1 293.367 -0.278 20 0 CBADMP C[C@@H]1CN(c2ccc(N[C@H](N)CCC[NH3+])nn2)CC[NH2+]1 ZINC001170897099 820332591 /nfs/dbraw/zinc/33/25/91/820332591.db2.gz DBTHOJBGXNNAFL-MNOVXSKESA-N 2 1 279.392 -0.290 20 0 CBADMP Cn1ncc(C[NH2+]CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001171215849 820350041 /nfs/dbraw/zinc/35/00/41/820350041.db2.gz DEMZSZLHCKVVHW-GFCCVEGCSA-N 2 1 294.403 -0.247 20 0 CBADMP COC[C@H](O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171217408 820351246 /nfs/dbraw/zinc/35/12/46/820351246.db2.gz MMRWUIFGBWZNDY-CHWSQXEVSA-N 2 1 287.404 -0.569 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001171226953 820351380 /nfs/dbraw/zinc/35/13/80/820351380.db2.gz KVHMJIQBAGCVBS-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171218752 820351755 /nfs/dbraw/zinc/35/17/55/820351755.db2.gz SNMZYULHDZBPCN-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP Cn1nnnc1C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171218610 820351955 /nfs/dbraw/zinc/35/19/55/820351955.db2.gz QHPFHCZAZFYVCD-LLVKDONJSA-N 2 1 295.391 -0.852 20 0 CBADMP COC[C@H](O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171217409 820352484 /nfs/dbraw/zinc/35/24/84/820352484.db2.gz MMRWUIFGBWZNDY-QWHCGFSZSA-N 2 1 287.404 -0.569 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1nnnn1C ZINC001171763267 820368754 /nfs/dbraw/zinc/36/87/54/820368754.db2.gz WYUMQVFNTMCPPD-LLVKDONJSA-N 2 1 297.407 -0.291 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CCOCCO ZINC001171762424 820368938 /nfs/dbraw/zinc/36/89/38/820368938.db2.gz DJLBYFJHSXSZBG-UHFFFAOYSA-N 2 1 275.393 -0.567 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001171757287 820371260 /nfs/dbraw/zinc/37/12/60/820371260.db2.gz HQSCNVGSPGOFSD-UHFFFAOYSA-N 2 1 298.431 -0.050 20 0 CBADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CC(N)=O)C(N)=O)C2 ZINC001172110111 820381409 /nfs/dbraw/zinc/38/14/09/820381409.db2.gz KPMGSZJYDFGIGO-MMWGEVLESA-N 2 1 268.361 -0.679 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CC(N)=O)C(N)=O)C2 ZINC001172110111 820381420 /nfs/dbraw/zinc/38/14/20/820381420.db2.gz KPMGSZJYDFGIGO-MMWGEVLESA-N 2 1 268.361 -0.679 20 0 CBADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(=O)NCC(N)=O)C2 ZINC001172108762 820382649 /nfs/dbraw/zinc/38/26/49/820382649.db2.gz DRNWDWRKWYEZGF-RTCCRHLQSA-N 2 1 268.361 -0.807 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(=O)NCC(N)=O)C2 ZINC001172108762 820382657 /nfs/dbraw/zinc/38/26/57/820382657.db2.gz DRNWDWRKWYEZGF-RTCCRHLQSA-N 2 1 268.361 -0.807 20 0 CBADMP COCCC[NH+]1CCC([N@H+](C)C[C@@H](O)CO)CC1 ZINC001172251712 820393530 /nfs/dbraw/zinc/39/35/30/820393530.db2.gz VRUDVKIQQDOBJG-CYBMUJFWSA-N 2 1 260.378 -0.228 20 0 CBADMP COCCC[NH+]1CCC([N@@H+](C)C[C@@H](O)CO)CC1 ZINC001172251712 820393540 /nfs/dbraw/zinc/39/35/40/820393540.db2.gz VRUDVKIQQDOBJG-CYBMUJFWSA-N 2 1 260.378 -0.228 20 0 CBADMP [NH3+]CC[N@H+](CCO)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173732365 820409151 /nfs/dbraw/zinc/40/91/51/820409151.db2.gz ZIOOBPKNSSJTEZ-GHMZBOCLSA-N 2 1 254.338 -0.590 20 0 CBADMP [NH3+]CC[N@@H+](CCO)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173732365 820409158 /nfs/dbraw/zinc/40/91/58/820409158.db2.gz ZIOOBPKNSSJTEZ-GHMZBOCLSA-N 2 1 254.338 -0.590 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001176072611 820437677 /nfs/dbraw/zinc/43/76/77/820437677.db2.gz ZZZDJWFFLXVKAF-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP Cn1nccc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176072346 820438525 /nfs/dbraw/zinc/43/85/25/820438525.db2.gz QEBWRAJRKZLZGY-GFCCVEGCSA-N 2 1 279.388 -0.032 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072570 820438707 /nfs/dbraw/zinc/43/87/07/820438707.db2.gz YTHVYWFSPKOJGH-LBPRGKRZSA-N 2 1 284.404 -0.441 20 0 CBADMP Cn1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001176072458 820438909 /nfs/dbraw/zinc/43/89/09/820438909.db2.gz UVTWBMMJBWUCLY-LBPRGKRZSA-N 2 1 279.388 -0.032 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001176058094 820438955 /nfs/dbraw/zinc/43/89/55/820438955.db2.gz UKDGYMOQZJVBTM-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCOCCO)C1 ZINC001176058605 820439017 /nfs/dbraw/zinc/43/90/17/820439017.db2.gz YYCDQGZDCYTPTA-GFCCVEGCSA-N 2 1 273.377 -0.957 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H](C)COC)C1 ZINC001176636429 820455022 /nfs/dbraw/zinc/45/50/22/820455022.db2.gz OOCWLXGUAIKVNP-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H](C)COC)C1 ZINC001176636429 820455029 /nfs/dbraw/zinc/45/50/29/820455029.db2.gz OOCWLXGUAIKVNP-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H](C)OC)C1 ZINC001176644186 820455321 /nfs/dbraw/zinc/45/53/21/820455321.db2.gz NFSCALJCSGUXHW-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H](C)OC)C1 ZINC001176644186 820455325 /nfs/dbraw/zinc/45/53/25/820455325.db2.gz NFSCALJCSGUXHW-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001176975254 820485528 /nfs/dbraw/zinc/48/55/28/820485528.db2.gz NQNBDUNZUQIBIY-UHFFFAOYSA-N 2 1 282.392 -0.286 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001176986452 820486993 /nfs/dbraw/zinc/48/69/93/820486993.db2.gz OTWZNONLQJDHDP-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCCCCC[NH2+]CCO)C1 ZINC001178107656 820563888 /nfs/dbraw/zinc/56/38/88/820563888.db2.gz VDGMSNFBHCLQLT-CYBMUJFWSA-N 2 1 287.404 -0.425 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCCCCC[NH2+]CCO)C1 ZINC001178107656 820563892 /nfs/dbraw/zinc/56/38/92/820563892.db2.gz VDGMSNFBHCLQLT-CYBMUJFWSA-N 2 1 287.404 -0.425 20 0 CBADMP C[NH+]1CCN(CC(=O)N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)CC1 ZINC001178951599 820608514 /nfs/dbraw/zinc/60/85/14/820608514.db2.gz BVFNJPUSHRHWCQ-KBPBESRZSA-N 2 1 280.416 -0.214 20 0 CBADMP C[NH+]1CCN(CC(=O)N2C[C@H]3[C@H](C2)CCC[N@H+]3C)CC1 ZINC001178951599 820608518 /nfs/dbraw/zinc/60/85/18/820608518.db2.gz BVFNJPUSHRHWCQ-KBPBESRZSA-N 2 1 280.416 -0.214 20 0 CBADMP C[C@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CC[NH+](C)C ZINC001179482828 820629731 /nfs/dbraw/zinc/62/97/31/820629731.db2.gz XCBKLQBDZBWNLD-AAEUAGOBSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CC[NH+](C)C ZINC001179472538 820630165 /nfs/dbraw/zinc/63/01/65/820630165.db2.gz NYPFJNBVEBXFOX-QWRGUYRKSA-N 2 1 295.391 -0.759 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179924933 820645970 /nfs/dbraw/zinc/64/59/70/820645970.db2.gz HLYOVVJFRGUPGI-AVGNSLFASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180138866 820651940 /nfs/dbraw/zinc/65/19/40/820651940.db2.gz PQGWZZVPOKAYAY-XQQFMLRXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])N1CCCC1 ZINC001180583499 820695825 /nfs/dbraw/zinc/69/58/25/820695825.db2.gz CYQRQNUTBJZSHO-JTQLQIEISA-N 2 1 255.366 -0.068 20 0 CBADMP C[C@@H](C(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1)[NH+](C)C ZINC001180861704 820734425 /nfs/dbraw/zinc/73/44/25/820734425.db2.gz MDJXDAVGVHFLQW-QWRGUYRKSA-N 2 1 255.362 -0.132 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181652617 820806103 /nfs/dbraw/zinc/80/61/03/820806103.db2.gz NNKPFPQMKASWRT-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCF)C2)C1 ZINC001181821508 820833820 /nfs/dbraw/zinc/83/38/20/820833820.db2.gz AHCMYRHTFQWETD-VXGBXAGGSA-N 2 1 273.352 -0.133 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCF)C2)C1 ZINC001181821508 820833831 /nfs/dbraw/zinc/83/38/31/820833831.db2.gz AHCMYRHTFQWETD-VXGBXAGGSA-N 2 1 273.352 -0.133 20 0 CBADMP C[NH+](C)C1(C(=O)NCCN2CCC[N@@H+](C)CC2)CC1 ZINC001182602821 820929998 /nfs/dbraw/zinc/92/99/98/820929998.db2.gz LKJHUNQISRQTOR-UHFFFAOYSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1CS(=O)(=O)C1 ZINC001182816889 820948666 /nfs/dbraw/zinc/94/86/66/820948666.db2.gz GRNRPTTYUWBILU-UHFFFAOYSA-N 2 1 290.389 -0.905 20 0 CBADMP CC(C)[N@H+]1CC[C@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001182869987 820950757 /nfs/dbraw/zinc/95/07/57/820950757.db2.gz QLFVIEGSECAZTL-JTQLQIEISA-N 2 1 288.352 -0.866 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001183039899 820968701 /nfs/dbraw/zinc/96/87/01/820968701.db2.gz KRZFDEMKPBFKSV-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001183759199 821032666 /nfs/dbraw/zinc/03/26/66/821032666.db2.gz HCZQTQILWZYUKC-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001184310452 821066835 /nfs/dbraw/zinc/06/68/35/821066835.db2.gz SMPJHXDWBKZUDU-NWDGAFQWSA-N 2 1 293.371 -0.483 20 0 CBADMP COCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185137342 821099704 /nfs/dbraw/zinc/09/97/04/821099704.db2.gz WLOYIZDPPOXSFM-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185137342 821099707 /nfs/dbraw/zinc/09/97/07/821099707.db2.gz WLOYIZDPPOXSFM-ZIAGYGMSSA-N 2 1 299.415 -0.068 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC001185256624 821111369 /nfs/dbraw/zinc/11/13/69/821111369.db2.gz FMCPCZUHFVOCAM-ZDUSSCGKSA-N 2 1 266.389 -0.461 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N(CC[NH3+])c1cccnc1 ZINC001185261344 821114134 /nfs/dbraw/zinc/11/41/34/821114134.db2.gz FIAMNFBJBHSUHK-ZDUSSCGKSA-N 2 1 277.372 -0.381 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001185258206 821114299 /nfs/dbraw/zinc/11/42/99/821114299.db2.gz QNTIUMLONZDREQ-QWHCGFSZSA-N 2 1 284.404 -0.979 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC([NH+](C)[C@H]2CCOC2)C1 ZINC001185258416 821114495 /nfs/dbraw/zinc/11/44/95/821114495.db2.gz SPJOEIMQPFANSN-GXTWGEPZSA-N 2 1 296.415 -0.836 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001185258416 821114498 /nfs/dbraw/zinc/11/44/98/821114498.db2.gz SPJOEIMQPFANSN-GXTWGEPZSA-N 2 1 296.415 -0.836 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001185258416 821114501 /nfs/dbraw/zinc/11/45/01/821114501.db2.gz SPJOEIMQPFANSN-GXTWGEPZSA-N 2 1 296.415 -0.836 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001185723599 821139727 /nfs/dbraw/zinc/13/97/27/821139727.db2.gz PAJLKKJTTXTOKB-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP O=C(C[N@H+]1CC[C@@H](O)C1)N1CC[NH+]2CCC1CC2 ZINC001186043796 821152946 /nfs/dbraw/zinc/15/29/46/821152946.db2.gz AQULVACUPAYYJH-GFCCVEGCSA-N 2 1 253.346 -0.640 20 0 CBADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CC[NH+]2CCC1CC2 ZINC001186043796 821152949 /nfs/dbraw/zinc/15/29/49/821152949.db2.gz AQULVACUPAYYJH-GFCCVEGCSA-N 2 1 253.346 -0.640 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186044910 821155349 /nfs/dbraw/zinc/15/53/49/821155349.db2.gz MUBSHZZXXUKEGX-GFCCVEGCSA-N 2 1 255.362 -0.393 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186044910 821155353 /nfs/dbraw/zinc/15/53/53/821155353.db2.gz MUBSHZZXXUKEGX-GFCCVEGCSA-N 2 1 255.362 -0.393 20 0 CBADMP O=C(C[N@H+]1CC[C@H](O)C1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001186044373 821156816 /nfs/dbraw/zinc/15/68/16/821156816.db2.gz GDUGIZWXIINDAT-KBPBESRZSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001186044373 821156823 /nfs/dbraw/zinc/15/68/23/821156823.db2.gz GDUGIZWXIINDAT-KBPBESRZSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C(C[N@H+]1CC[C@H](O)C1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001186044376 821157813 /nfs/dbraw/zinc/15/78/13/821157813.db2.gz GDUGIZWXIINDAT-UONOGXRCSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001186044376 821157819 /nfs/dbraw/zinc/15/78/19/821157819.db2.gz GDUGIZWXIINDAT-UONOGXRCSA-N 2 1 297.399 -0.624 20 0 CBADMP [NH3+][C@H]1CC[C@H](N(C(=O)C[N@@H+]2CC[C@@H](O)C2)C2COC2)CC1 ZINC001186054464 821161327 /nfs/dbraw/zinc/16/13/27/821161327.db2.gz DXLAIZQMGMBOSF-YRGRVCCFSA-N 2 1 297.399 -0.450 20 0 CBADMP [NH3+][C@H]1CC[C@H](N(C(=O)C[N@H+]2CC[C@@H](O)C2)C2COC2)CC1 ZINC001186054464 821161335 /nfs/dbraw/zinc/16/13/35/821161335.db2.gz DXLAIZQMGMBOSF-YRGRVCCFSA-N 2 1 297.399 -0.450 20 0 CBADMP C[NH+](C)CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186054428 821163112 /nfs/dbraw/zinc/16/31/12/821163112.db2.gz DLTRJUXJONGDDV-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[NH+](C)CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186054428 821163117 /nfs/dbraw/zinc/16/31/17/821163117.db2.gz DLTRJUXJONGDDV-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+]3CC[C@@H]3C2)C1 ZINC001186107794 821169783 /nfs/dbraw/zinc/16/97/83/821169783.db2.gz SRGJMZYZIZZBLX-NWDGAFQWSA-N 2 1 281.356 -0.602 20 0 CBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+]3CC[C@@H]3C2)C1 ZINC001186107794 821169788 /nfs/dbraw/zinc/16/97/88/821169788.db2.gz SRGJMZYZIZZBLX-NWDGAFQWSA-N 2 1 281.356 -0.602 20 0 CBADMP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[N@@H+]3CC[C@@H]3C2)C1 ZINC001186107794 821169791 /nfs/dbraw/zinc/16/97/91/821169791.db2.gz SRGJMZYZIZZBLX-NWDGAFQWSA-N 2 1 281.356 -0.602 20 0 CBADMP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[N@H+]3CC[C@@H]3C2)C1 ZINC001186107794 821169796 /nfs/dbraw/zinc/16/97/96/821169796.db2.gz SRGJMZYZIZZBLX-NWDGAFQWSA-N 2 1 281.356 -0.602 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001186451103 821181711 /nfs/dbraw/zinc/18/17/11/821181711.db2.gz BRYKJYCGTGVDDT-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001186824811 821199389 /nfs/dbraw/zinc/19/93/89/821199389.db2.gz MUFFHMMRMVBACY-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001186824803 821199400 /nfs/dbraw/zinc/19/94/00/821199400.db2.gz MLDXFJKQFHIGOP-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187107032 821212645 /nfs/dbraw/zinc/21/26/45/821212645.db2.gz SQLQEJRFTTZUOP-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001187083756 821212727 /nfs/dbraw/zinc/21/27/27/821212727.db2.gz OSJRWSGCVZFDRN-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187107031 821213288 /nfs/dbraw/zinc/21/32/88/821213288.db2.gz SQLQEJRFTTZUOP-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N(CCO)CC[NH2+]CCO ZINC001279737207 828337317 /nfs/dbraw/zinc/33/73/17/828337317.db2.gz IPQZDWJEVFNUSE-ZIAGYGMSSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001280545399 828359084 /nfs/dbraw/zinc/35/90/84/828359084.db2.gz NJVJMPVYGDDUAG-LLVKDONJSA-N 2 1 255.362 -0.441 20 0 CBADMP C[N@@H+](CC(=O)N1CCO[C@@H](C[NH2+]CCCO)C1)C1CCC1 ZINC001280595720 828364800 /nfs/dbraw/zinc/36/48/00/828364800.db2.gz OQHHQMBYFXWBAH-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@H](C[NH2+]CCCO)C1 ZINC001280651631 828370195 /nfs/dbraw/zinc/37/01/95/828370195.db2.gz KURWJQXTVUYFNU-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187818369 822297331 /nfs/dbraw/zinc/29/73/31/822297331.db2.gz NUPFXKQAWMORLG-NWDGAFQWSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187818370 822297767 /nfs/dbraw/zinc/29/77/67/822297767.db2.gz NUPFXKQAWMORLG-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001188138706 822321548 /nfs/dbraw/zinc/32/15/48/822321548.db2.gz ABFFWKQNXKFANK-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001188158905 822323312 /nfs/dbraw/zinc/32/33/12/822323312.db2.gz ZNVNVIKSIBZTIP-WDEREUQCSA-N 2 1 270.377 -0.609 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CCOCCO ZINC001282363711 828442489 /nfs/dbraw/zinc/44/24/89/828442489.db2.gz DPBWXRLKPRHBCC-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CCOCCO ZINC001282363711 828442491 /nfs/dbraw/zinc/44/24/91/828442491.db2.gz DPBWXRLKPRHBCC-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CCOCCO ZINC001282363711 828442493 /nfs/dbraw/zinc/44/24/93/828442493.db2.gz DPBWXRLKPRHBCC-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@H+](C)CCO ZINC001282431037 828446041 /nfs/dbraw/zinc/44/60/41/828446041.db2.gz HXYAWJLWZAJLCQ-SNVBAGLBSA-N 2 1 254.334 -0.380 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@@H+](C)CCO ZINC001282431037 828446045 /nfs/dbraw/zinc/44/60/45/828446045.db2.gz HXYAWJLWZAJLCQ-SNVBAGLBSA-N 2 1 254.334 -0.380 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+](C)CCO ZINC001282477442 828449407 /nfs/dbraw/zinc/44/94/07/828449407.db2.gz JPEFHBZQHGEWQZ-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@H+](C)CCO ZINC001282477442 828449412 /nfs/dbraw/zinc/44/94/12/828449412.db2.gz JPEFHBZQHGEWQZ-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@@H+](C)CCO ZINC001282477442 828449417 /nfs/dbraw/zinc/44/94/17/828449417.db2.gz JPEFHBZQHGEWQZ-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@H+](C)CCO ZINC001282495128 828450601 /nfs/dbraw/zinc/45/06/01/828450601.db2.gz REYSYOOLFKPBKY-JTQLQIEISA-N 2 1 254.334 -0.380 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@@H+](C)CCO ZINC001282495128 828450604 /nfs/dbraw/zinc/45/06/04/828450604.db2.gz REYSYOOLFKPBKY-JTQLQIEISA-N 2 1 254.334 -0.380 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCNC(=O)[C@H]1CCC[NH+]1C ZINC001283139193 828499341 /nfs/dbraw/zinc/49/93/41/828499341.db2.gz WKHANHYJAIUYTM-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001283139193 828499343 /nfs/dbraw/zinc/49/93/43/828499343.db2.gz WKHANHYJAIUYTM-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[NH+](C)CCC(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001283139193 828499345 /nfs/dbraw/zinc/49/93/45/828499345.db2.gz WKHANHYJAIUYTM-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001283256461 828510963 /nfs/dbraw/zinc/51/09/63/828510963.db2.gz KPTHYNXZQNBZDW-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[NH+](C)CCC(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283256461 828510966 /nfs/dbraw/zinc/51/09/66/828510966.db2.gz KPTHYNXZQNBZDW-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[NH+](C)CCC(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283256461 828510969 /nfs/dbraw/zinc/51/09/69/828510969.db2.gz KPTHYNXZQNBZDW-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCOCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001283793832 828548886 /nfs/dbraw/zinc/54/88/86/828548886.db2.gz XHMVAIOTXXYOOK-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCOC1CCC1 ZINC001283747221 828541596 /nfs/dbraw/zinc/54/15/96/828541596.db2.gz SIVAVNWMAJNLMQ-JSGCOSHPSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCO)[C@@H]1C ZINC001283925858 828560942 /nfs/dbraw/zinc/56/09/42/828560942.db2.gz UKQWGBXYCAWXOK-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCO)[C@H]1C ZINC001283941368 828560954 /nfs/dbraw/zinc/56/09/54/828560954.db2.gz XEGFFZDZBABGIZ-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP COCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517244 823764683 /nfs/dbraw/zinc/76/46/83/823764683.db2.gz OTNCRIXYOKGMPD-CHWSQXEVSA-N 2 1 285.388 -0.504 20 0 CBADMP COCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517244 823764691 /nfs/dbraw/zinc/76/46/91/823764691.db2.gz OTNCRIXYOKGMPD-CHWSQXEVSA-N 2 1 285.388 -0.504 20 0 CBADMP COCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189517244 823764703 /nfs/dbraw/zinc/76/47/03/823764703.db2.gz OTNCRIXYOKGMPD-CHWSQXEVSA-N 2 1 285.388 -0.504 20 0 CBADMP COCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189517244 823764707 /nfs/dbraw/zinc/76/47/07/823764707.db2.gz OTNCRIXYOKGMPD-CHWSQXEVSA-N 2 1 285.388 -0.504 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001189660129 823770740 /nfs/dbraw/zinc/77/07/40/823770740.db2.gz OXLOOPMPIKKYHU-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001189660129 823770747 /nfs/dbraw/zinc/77/07/47/823770747.db2.gz OXLOOPMPIKKYHU-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001189660129 823770749 /nfs/dbraw/zinc/77/07/49/823770749.db2.gz OXLOOPMPIKKYHU-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001189660129 823770754 /nfs/dbraw/zinc/77/07/54/823770754.db2.gz OXLOOPMPIKKYHU-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191793683 823924546 /nfs/dbraw/zinc/92/45/46/823924546.db2.gz MLFFBSIVPZMDEM-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191793683 823924549 /nfs/dbraw/zinc/92/45/49/823924549.db2.gz MLFFBSIVPZMDEM-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001191793683 823924554 /nfs/dbraw/zinc/92/45/54/823924554.db2.gz MLFFBSIVPZMDEM-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001191793683 823924558 /nfs/dbraw/zinc/92/45/58/823924558.db2.gz MLFFBSIVPZMDEM-HZSPNIEDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016712 823939085 /nfs/dbraw/zinc/93/90/85/823939085.db2.gz JHKVWDZZCQZPNP-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)CC1 ZINC001192016664 823939537 /nfs/dbraw/zinc/93/95/37/823939537.db2.gz IBHFXECWBKKXDV-GFCCVEGCSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)CC1 ZINC001192006193 823939860 /nfs/dbraw/zinc/93/98/60/823939860.db2.gz FVPFVQIPBNCWCK-NSHDSACASA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)CC1 ZINC001192006193 823939873 /nfs/dbraw/zinc/93/98/73/823939873.db2.gz FVPFVQIPBNCWCK-NSHDSACASA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192029246 823941228 /nfs/dbraw/zinc/94/12/28/823941228.db2.gz IZVVEBFMLUOFFH-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152372 823952557 /nfs/dbraw/zinc/95/25/57/823952557.db2.gz GMRXVDNKFMFMNP-MNOVXSKESA-N 2 1 270.377 -0.655 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192141539 823954178 /nfs/dbraw/zinc/95/41/78/823954178.db2.gz DEBUXNUCIAOZII-NSHDSACASA-N 2 1 270.377 -0.783 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192141539 823954182 /nfs/dbraw/zinc/95/41/82/823954182.db2.gz DEBUXNUCIAOZII-NSHDSACASA-N 2 1 270.377 -0.783 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152370 823954194 /nfs/dbraw/zinc/95/41/94/823954194.db2.gz GMRXVDNKFMFMNP-GHMZBOCLSA-N 2 1 270.377 -0.655 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC001192171106 823956242 /nfs/dbraw/zinc/95/62/42/823956242.db2.gz UDNPKOJVTNRPQJ-CYBMUJFWSA-N 2 1 294.403 -0.238 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC(=O)N(C)C)C1 ZINC001193293115 824019930 /nfs/dbraw/zinc/01/99/30/824019930.db2.gz XWXCZAPQTQUAHN-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC(=O)N(C)C)C1 ZINC001193293115 824019936 /nfs/dbraw/zinc/01/99/36/824019936.db2.gz XWXCZAPQTQUAHN-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC(=O)N(C)C)C1 ZINC001193293115 824019941 /nfs/dbraw/zinc/01/99/41/824019941.db2.gz XWXCZAPQTQUAHN-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)N(C)C)C1 ZINC001193293115 824019947 /nfs/dbraw/zinc/01/99/47/824019947.db2.gz XWXCZAPQTQUAHN-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@H]2CCNC2=O)C1 ZINC001193630158 824040183 /nfs/dbraw/zinc/04/01/83/824040183.db2.gz GBBHGRSCPSPHGL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC001193630158 824040185 /nfs/dbraw/zinc/04/01/85/824040185.db2.gz GBBHGRSCPSPHGL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001193630158 824040187 /nfs/dbraw/zinc/04/01/87/824040187.db2.gz GBBHGRSCPSPHGL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)N(C)C)C1 ZINC001193630948 824041495 /nfs/dbraw/zinc/04/14/95/824041495.db2.gz QFSVHFRMYGLPGL-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC(=O)N(C)C)C1 ZINC001193630948 824041485 /nfs/dbraw/zinc/04/14/85/824041485.db2.gz QFSVHFRMYGLPGL-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC(=O)N(C)C)C1 ZINC001193630948 824041489 /nfs/dbraw/zinc/04/14/89/824041489.db2.gz QFSVHFRMYGLPGL-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CC(=O)N(C)C)C1 ZINC001193630948 824041493 /nfs/dbraw/zinc/04/14/93/824041493.db2.gz QFSVHFRMYGLPGL-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193780578 824044814 /nfs/dbraw/zinc/04/48/14/824044814.db2.gz CUFBYIXWIREKCS-UPJWGTAASA-N 2 1 285.388 -0.866 20 0 CBADMP C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002304 824054559 /nfs/dbraw/zinc/05/45/59/824054559.db2.gz QZCUHCFRKQQOPJ-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP CNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194001951 824054722 /nfs/dbraw/zinc/05/47/22/824054722.db2.gz LKZJQUSIRRTDHG-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001951 824054726 /nfs/dbraw/zinc/05/47/26/824054726.db2.gz LKZJQUSIRRTDHG-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001951 824054730 /nfs/dbraw/zinc/05/47/30/824054730.db2.gz LKZJQUSIRRTDHG-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194001951 824054734 /nfs/dbraw/zinc/05/47/34/824054734.db2.gz LKZJQUSIRRTDHG-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194001951 824054740 /nfs/dbraw/zinc/05/47/40/824054740.db2.gz LKZJQUSIRRTDHG-NEPJUHHUSA-N 2 1 282.388 -0.783 20 0 CBADMP C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002299 824054867 /nfs/dbraw/zinc/05/48/67/824054867.db2.gz QZCUHCFRKQQOPJ-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)CCCO)C2)C1 ZINC001194153294 824062150 /nfs/dbraw/zinc/06/21/50/824062150.db2.gz CGUFGUREJBYJOT-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)CCCO)C2)C1 ZINC001194153294 824062156 /nfs/dbraw/zinc/06/21/56/824062156.db2.gz CGUFGUREJBYJOT-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCCO)C2)C1 ZINC001194153294 824062162 /nfs/dbraw/zinc/06/21/62/824062162.db2.gz CGUFGUREJBYJOT-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCCO)C2)C1 ZINC001194153294 824062166 /nfs/dbraw/zinc/06/21/66/824062166.db2.gz CGUFGUREJBYJOT-UONOGXRCSA-N 2 1 299.415 -0.378 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194286266 824067502 /nfs/dbraw/zinc/06/75/02/824067502.db2.gz XZFAIOKFJXAFNT-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194286266 824067506 /nfs/dbraw/zinc/06/75/06/824067506.db2.gz XZFAIOKFJXAFNT-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194286266 824067508 /nfs/dbraw/zinc/06/75/08/824067508.db2.gz XZFAIOKFJXAFNT-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194286266 824067512 /nfs/dbraw/zinc/06/75/12/824067512.db2.gz XZFAIOKFJXAFNT-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP COC[C@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001195284142 824109615 /nfs/dbraw/zinc/10/96/15/824109615.db2.gz PUPHKVYNARJUMQ-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001195284142 824109611 /nfs/dbraw/zinc/10/96/11/824109611.db2.gz PUPHKVYNARJUMQ-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP COC[C@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001195284142 824109613 /nfs/dbraw/zinc/10/96/13/824109613.db2.gz PUPHKVYNARJUMQ-KGLIPLIRSA-N 2 1 299.415 -0.378 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859357 824134082 /nfs/dbraw/zinc/13/40/82/824134082.db2.gz HSVXOQFPTVBMFH-IJLUTSLNSA-N 2 1 273.377 -0.866 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001195870680 824135560 /nfs/dbraw/zinc/13/55/60/824135560.db2.gz JYPKKFJJMZEOCI-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001196169098 824150905 /nfs/dbraw/zinc/15/09/05/824150905.db2.gz OFJCDCZMBZYBND-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001196169098 824150908 /nfs/dbraw/zinc/15/09/08/824150908.db2.gz OFJCDCZMBZYBND-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001196169098 824150910 /nfs/dbraw/zinc/15/09/10/824150910.db2.gz OFJCDCZMBZYBND-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196251861 824154613 /nfs/dbraw/zinc/15/46/13/824154613.db2.gz OSVSQQPIBOIPLW-GRYCIOLGSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196954438 824173827 /nfs/dbraw/zinc/17/38/27/824173827.db2.gz XYTGXFLRRLLCPB-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196954438 824173830 /nfs/dbraw/zinc/17/38/30/824173830.db2.gz XYTGXFLRRLLCPB-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196954438 824173833 /nfs/dbraw/zinc/17/38/33/824173833.db2.gz XYTGXFLRRLLCPB-ZIAGYGMSSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@H]1O ZINC001197048514 824177350 /nfs/dbraw/zinc/17/73/50/824177350.db2.gz CLDGGBGZAMSFQG-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP CN1CC[C@@H]([N@@H+]2CCCN(C(=O)CC[NH+](C)C)CC2)C1=O ZINC001197049454 824177395 /nfs/dbraw/zinc/17/73/95/824177395.db2.gz QVHNTWKXCZPKBT-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP CN1CC[C@@H]([N@H+]2CCCN(C(=O)CC[NH+](C)C)CC2)C1=O ZINC001197049454 824177400 /nfs/dbraw/zinc/17/74/00/824177400.db2.gz QVHNTWKXCZPKBT-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1O ZINC001197492959 824192596 /nfs/dbraw/zinc/19/25/96/824192596.db2.gz BTAVCYJWSKFUQS-VXGBXAGGSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)COC)C[C@H]1O ZINC001197493316 824192982 /nfs/dbraw/zinc/19/29/82/824192982.db2.gz IDRQJXIOGRBCGJ-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001197536077 824194725 /nfs/dbraw/zinc/19/47/25/824194725.db2.gz IHORBNLWMIWZTQ-VXGBXAGGSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001197536077 824194726 /nfs/dbraw/zinc/19/47/26/824194726.db2.gz IHORBNLWMIWZTQ-VXGBXAGGSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001197536077 824194727 /nfs/dbraw/zinc/19/47/27/824194727.db2.gz IHORBNLWMIWZTQ-VXGBXAGGSA-N 2 1 275.368 -0.151 20 0 CBADMP COCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001284751727 828621884 /nfs/dbraw/zinc/62/18/84/828621884.db2.gz VJPZRBNHSCGRQT-RUXDESIVSA-N 2 1 299.415 -0.068 20 0 CBADMP COCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001284751727 828621889 /nfs/dbraw/zinc/62/18/89/828621889.db2.gz VJPZRBNHSCGRQT-RUXDESIVSA-N 2 1 299.415 -0.068 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](C)OC)C[C@H]1O ZINC001198028663 824214737 /nfs/dbraw/zinc/21/47/37/824214737.db2.gz FNDFAXIBEZIEIL-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)OC)C[C@H]1O ZINC001198028663 824214745 /nfs/dbraw/zinc/21/47/45/824214745.db2.gz FNDFAXIBEZIEIL-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@H]1O ZINC001198028663 824214753 /nfs/dbraw/zinc/21/47/53/824214753.db2.gz FNDFAXIBEZIEIL-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1O ZINC001198028448 824215292 /nfs/dbraw/zinc/21/52/92/824215292.db2.gz ABYKFHKXCCECDD-YNEHKIRRSA-N 2 1 287.404 -0.740 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001198028448 824215299 /nfs/dbraw/zinc/21/52/99/824215299.db2.gz ABYKFHKXCCECDD-YNEHKIRRSA-N 2 1 287.404 -0.740 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001198028448 824215308 /nfs/dbraw/zinc/21/53/08/824215308.db2.gz ABYKFHKXCCECDD-YNEHKIRRSA-N 2 1 287.404 -0.740 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@H]1O ZINC001198048707 824217151 /nfs/dbraw/zinc/21/71/51/824217151.db2.gz YYJRBMNCIMLDCB-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001198048707 824217157 /nfs/dbraw/zinc/21/71/57/824217157.db2.gz YYJRBMNCIMLDCB-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001198048707 824217166 /nfs/dbraw/zinc/21/71/66/824217166.db2.gz YYJRBMNCIMLDCB-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198698580 824236044 /nfs/dbraw/zinc/23/60/44/824236044.db2.gz BPYKMTKMPTWJPK-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071190 824247622 /nfs/dbraw/zinc/24/76/22/824247622.db2.gz NJOMCXARGOMNGG-BFHYXJOUSA-N 2 1 299.415 -0.596 20 0 CBADMP COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199787738 824287618 /nfs/dbraw/zinc/28/76/18/824287618.db2.gz DAGJCOSOJGTXRQ-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199943643 824296743 /nfs/dbraw/zinc/29/67/43/824296743.db2.gz NVJYNOAKRHMAHR-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943643 824296749 /nfs/dbraw/zinc/29/67/49/824296749.db2.gz NVJYNOAKRHMAHR-CQSZACIVSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200183501 824313030 /nfs/dbraw/zinc/31/30/30/824313030.db2.gz ZDYSDPLZAJGKDO-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200183501 824313038 /nfs/dbraw/zinc/31/30/38/824313038.db2.gz ZDYSDPLZAJGKDO-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+]1CCN(c2ncc(C[NH2+]CC[S@](C)=O)cn2)CC1 ZINC001200623239 824323805 /nfs/dbraw/zinc/32/38/05/824323805.db2.gz XOENCDDIYYAMSH-FQEVSTJZSA-N 2 1 297.428 -0.304 20 0 CBADMP C[NH+]1CCN(c2ncc(C[NH2+]CC[S@@](C)=O)cn2)CC1 ZINC001200623240 824323843 /nfs/dbraw/zinc/32/38/43/824323843.db2.gz XOENCDDIYYAMSH-HXUWFJFHSA-N 2 1 297.428 -0.304 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200983399 824326584 /nfs/dbraw/zinc/32/65/84/824326584.db2.gz OATLTVCBTBIMOJ-ZDUSSCGKSA-N 2 1 296.371 -0.609 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201404319 824331916 /nfs/dbraw/zinc/33/19/16/824331916.db2.gz UMIXQRVCDSAKLD-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001201402086 824332204 /nfs/dbraw/zinc/33/22/04/824332204.db2.gz ANIXLXYIRZGBBM-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Cn1ccnn1 ZINC001202748371 824351796 /nfs/dbraw/zinc/35/17/96/824351796.db2.gz ABJTVCZPEYUFED-RWMBFGLXSA-N 2 1 265.361 -0.145 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001203203126 824359328 /nfs/dbraw/zinc/35/93/28/824359328.db2.gz GZGLBZJPWKQWIU-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001203203121 824360341 /nfs/dbraw/zinc/36/03/41/824360341.db2.gz GYQUJTYICSNDJR-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203337997 824361757 /nfs/dbraw/zinc/36/17/57/824361757.db2.gz ZNSLZDYNGCRARM-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203791238 824362922 /nfs/dbraw/zinc/36/29/22/824362922.db2.gz FOZVYBUUADLKTA-VXGBXAGGSA-N 2 1 296.415 -0.171 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001203925900 824363813 /nfs/dbraw/zinc/36/38/13/824363813.db2.gz YKRIRQHPMGVJHH-ZDUSSCGKSA-N 2 1 296.415 -0.204 20 0 CBADMP COCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204876131 824372581 /nfs/dbraw/zinc/37/25/81/824372581.db2.gz OOJRTXMLEAYIRZ-AWEZNQCLSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876131 824372585 /nfs/dbraw/zinc/37/25/85/824372585.db2.gz OOJRTXMLEAYIRZ-AWEZNQCLSA-N 2 1 299.415 -0.208 20 0 CBADMP Cn1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(=O)n(C)c1=O ZINC001205116788 824374567 /nfs/dbraw/zinc/37/45/67/824374567.db2.gz IFDLMOIOEGZMBJ-NSHDSACASA-N 2 1 266.345 -0.603 20 0 CBADMP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCC[C@@H]([NH3+])CC2)O1 ZINC001205095215 824374617 /nfs/dbraw/zinc/37/46/17/824374617.db2.gz VMHCRXUEUBGVAP-FVCCEPFGSA-N 2 1 288.388 -0.327 20 0 CBADMP Nc1nccnc1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205230133 824376426 /nfs/dbraw/zinc/37/64/26/824376426.db2.gz QREPUGHIGRVUNE-GFCCVEGCSA-N 2 1 251.334 -0.266 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001205526122 824379526 /nfs/dbraw/zinc/37/95/26/824379526.db2.gz FJJFHAIREVPNFA-CYBMUJFWSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C[NH3+] ZINC001205638843 824380507 /nfs/dbraw/zinc/38/05/07/824380507.db2.gz SMNDFGLENZLIII-VXGBXAGGSA-N 2 1 294.399 -0.109 20 0 CBADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC001205690690 824380770 /nfs/dbraw/zinc/38/07/70/824380770.db2.gz WUDIKFNUBFGTMG-LBPRGKRZSA-N 2 1 268.317 -0.437 20 0 CBADMP [NH3+]C[C@]1(O)CCCC[N@@H+](CCN2CCOCC2)C1 ZINC001205665784 824380855 /nfs/dbraw/zinc/38/08/55/824380855.db2.gz VGZAQWXNJIOEKJ-CYBMUJFWSA-N 2 1 257.378 -0.506 20 0 CBADMP [NH3+]C[C@]1(O)CCCC[N@@H+](CC[C@H]2C[NH2+]CCO2)C1 ZINC001205665821 824380909 /nfs/dbraw/zinc/38/09/09/824380909.db2.gz VXVWEYCXTYNTLN-QWHCGFSZSA-N 3 1 257.378 -0.459 20 0 CBADMP NC[C@]1(O)CCCC[N@H+](CC[C@H]2C[NH2+]CCO2)C1 ZINC001205665821 824380914 /nfs/dbraw/zinc/38/09/14/824380914.db2.gz VXVWEYCXTYNTLN-QWHCGFSZSA-N 2 1 257.378 -0.459 20 0 CBADMP NC[C@]1(O)CCCC[N@@H+](CC[C@H]2C[NH2+]CCO2)C1 ZINC001205665821 824380924 /nfs/dbraw/zinc/38/09/24/824380924.db2.gz VXVWEYCXTYNTLN-QWHCGFSZSA-N 2 1 257.378 -0.459 20 0 CBADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(N3CC[NH2+]CC3)c2)C[C@H]1O ZINC001205958238 824391297 /nfs/dbraw/zinc/39/12/97/824391297.db2.gz AAXDWJRRANOOMK-HZPDHXFCSA-N 3 1 290.411 -0.010 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(N3CC[NH2+]CC3)c2)C[C@H]1O ZINC001205958238 824391301 /nfs/dbraw/zinc/39/13/01/824391301.db2.gz AAXDWJRRANOOMK-HZPDHXFCSA-N 3 1 290.411 -0.010 20 0 CBADMP C[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CCC[C@H]1C[NH3+] ZINC001206012755 824391518 /nfs/dbraw/zinc/39/15/18/824391518.db2.gz NLNAIGZITNQOOI-RYUDHWBXSA-N 2 1 294.399 -0.109 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001206468878 824400642 /nfs/dbraw/zinc/40/06/42/824400642.db2.gz LIWDAVRKTXXDSW-NWDGAFQWSA-N 2 1 274.328 -0.382 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(CCO)cc2)C[C@H]1O ZINC001206481674 824401009 /nfs/dbraw/zinc/40/10/09/824401009.db2.gz XWLUOCXOZWHWSQ-UONOGXRCSA-N 2 1 250.342 -0.027 20 0 CBADMP COC(=O)COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206520306 824402052 /nfs/dbraw/zinc/40/20/52/824402052.db2.gz UBZVBQQAONGQGJ-JSGCOSHPSA-N 2 1 294.351 -0.010 20 0 CBADMP COC(=O)COc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206520306 824402057 /nfs/dbraw/zinc/40/20/57/824402057.db2.gz UBZVBQQAONGQGJ-JSGCOSHPSA-N 2 1 294.351 -0.010 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2OCCO)C[C@@H]1O ZINC001206535306 824402851 /nfs/dbraw/zinc/40/28/51/824402851.db2.gz IYOPPPUTYZWJKP-STQMWFEESA-N 2 1 266.341 -0.191 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2OCCO)C[C@@H]1O ZINC001206535306 824402854 /nfs/dbraw/zinc/40/28/54/824402854.db2.gz IYOPPPUTYZWJKP-STQMWFEESA-N 2 1 266.341 -0.191 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001206872572 824407771 /nfs/dbraw/zinc/40/77/71/824407771.db2.gz KKLJFKHTFPFKSZ-CYBMUJFWSA-N 2 1 296.415 -0.358 20 0 CBADMP COCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207734418 824436285 /nfs/dbraw/zinc/43/62/85/824436285.db2.gz HOWZJDFVEJHWLW-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207734418 824436286 /nfs/dbraw/zinc/43/62/86/824436286.db2.gz HOWZJDFVEJHWLW-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001208423430 824451640 /nfs/dbraw/zinc/45/16/40/824451640.db2.gz KCVBPWNELJYJMF-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441873 824453208 /nfs/dbraw/zinc/45/32/08/824453208.db2.gz UAVLOAGZCCTFSM-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441873 824453211 /nfs/dbraw/zinc/45/32/11/824453211.db2.gz UAVLOAGZCCTFSM-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208494350 824454155 /nfs/dbraw/zinc/45/41/55/824454155.db2.gz QSNMFBNJQAIGMH-GRYCIOLGSA-N 2 1 257.378 -0.245 20 0 CBADMP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492337 824454310 /nfs/dbraw/zinc/45/43/10/824454310.db2.gz JSGLDYIYVMZZQK-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492337 824454313 /nfs/dbraw/zinc/45/43/13/824454313.db2.gz JSGLDYIYVMZZQK-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208570517 824455410 /nfs/dbraw/zinc/45/54/10/824455410.db2.gz ZJUNJZBTMVBSAQ-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001208992955 824460652 /nfs/dbraw/zinc/46/06/52/824460652.db2.gz FCCUDBWCQZPXNX-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209515279 824473073 /nfs/dbraw/zinc/47/30/73/824473073.db2.gz ULAYFPHBRQQCHH-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209515279 824473076 /nfs/dbraw/zinc/47/30/76/824473076.db2.gz ULAYFPHBRQQCHH-CHWSQXEVSA-N 2 1 285.388 -0.863 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001209641335 824474224 /nfs/dbraw/zinc/47/42/24/824474224.db2.gz IPWRGQLMTDITFK-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001209641338 824474356 /nfs/dbraw/zinc/47/43/56/824474356.db2.gz IPWRGQLMTDITFK-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCO)C2)C1 ZINC001211176136 824483592 /nfs/dbraw/zinc/48/35/92/824483592.db2.gz HJFRHSIXKMACJN-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCO)C2)C1 ZINC001211176136 824483595 /nfs/dbraw/zinc/48/35/95/824483595.db2.gz HJFRHSIXKMACJN-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCOC)C2)C1 ZINC001211176647 824483775 /nfs/dbraw/zinc/48/37/75/824483775.db2.gz MPUNZTLNEPQVJP-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCOC)C2)C1 ZINC001211176647 824483778 /nfs/dbraw/zinc/48/37/78/824483778.db2.gz MPUNZTLNEPQVJP-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026640 824497735 /nfs/dbraw/zinc/49/77/35/824497735.db2.gz SCYDDSRYEXIREH-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026640 824497736 /nfs/dbraw/zinc/49/77/36/824497736.db2.gz SCYDDSRYEXIREH-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212026640 824497737 /nfs/dbraw/zinc/49/77/37/824497737.db2.gz SCYDDSRYEXIREH-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212026640 824497738 /nfs/dbraw/zinc/49/77/38/824497738.db2.gz SCYDDSRYEXIREH-HZSPNIEDSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342484 824511177 /nfs/dbraw/zinc/51/11/77/824511177.db2.gz ZZPWPYKWOHIPGX-VXGBXAGGSA-N 2 1 285.388 -0.864 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1OC ZINC001213759295 824515802 /nfs/dbraw/zinc/51/58/02/824515802.db2.gz FJXVWBXWKLUZDA-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1OC ZINC001213759295 824515805 /nfs/dbraw/zinc/51/58/05/824515805.db2.gz FJXVWBXWKLUZDA-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC ZINC001213759295 824515809 /nfs/dbraw/zinc/51/58/09/824515809.db2.gz FJXVWBXWKLUZDA-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1OC ZINC001213759414 824516205 /nfs/dbraw/zinc/51/62/05/824516205.db2.gz KDAOGBZUOZGISC-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1OC ZINC001213759414 824516209 /nfs/dbraw/zinc/51/62/09/824516209.db2.gz KDAOGBZUOZGISC-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1OC ZINC001213759414 824516212 /nfs/dbraw/zinc/51/62/12/824516212.db2.gz KDAOGBZUOZGISC-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214969372 824537182 /nfs/dbraw/zinc/53/71/82/824537182.db2.gz PIZBMMMQTKBVFU-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001215316663 824539458 /nfs/dbraw/zinc/53/94/58/824539458.db2.gz IEGVSXAUEWBFTE-AAVRWANBSA-N 2 1 299.415 -0.476 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216750148 824549506 /nfs/dbraw/zinc/54/95/06/824549506.db2.gz RCXFOZHOASJILZ-IJLUTSLNSA-N 2 1 282.388 -0.879 20 0 CBADMP C(O[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217797452 824561844 /nfs/dbraw/zinc/56/18/44/824561844.db2.gz AGDMENBZIJFBER-YTFOTSKYSA-N 2 1 281.400 -0.184 20 0 CBADMP C(O[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217797452 824561848 /nfs/dbraw/zinc/56/18/48/824561848.db2.gz AGDMENBZIJFBER-YTFOTSKYSA-N 2 1 281.400 -0.184 20 0 CBADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@H]1C[NH2+][C@H]1C ZINC001218384595 824567599 /nfs/dbraw/zinc/56/75/99/824567599.db2.gz QSJDELGZJQRPSF-BQBZGAKWSA-N 2 1 296.327 -0.098 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218550739 824589080 /nfs/dbraw/zinc/58/90/80/824589080.db2.gz LSIFPKNLPWFNDY-MELADBBJSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)Nc1c[nH+]ccc1N(C)C ZINC001218563941 824593541 /nfs/dbraw/zinc/59/35/41/824593541.db2.gz VAJGRYKNBGMXNH-VIFPVBQESA-N 2 1 266.301 -0.024 20 0 CBADMP NC(=O)c1[nH]ncc1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218564511 824593737 /nfs/dbraw/zinc/59/37/37/824593737.db2.gz JLQAGRLCWWXYPR-ZETCQYMHSA-N 2 1 268.321 -0.707 20 0 CBADMP C[NH+]1CCN(c2cc(NC(=O)C3([NH3+])CC3)ncn2)CC1 ZINC001218573276 824596530 /nfs/dbraw/zinc/59/65/30/824596530.db2.gz TXFRUQRCSGDWGY-UHFFFAOYSA-N 2 1 276.344 -0.342 20 0 CBADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1c[nH]ccc1=O ZINC001218792110 824638509 /nfs/dbraw/zinc/63/85/09/824638509.db2.gz UDEBLNBIXSOTDU-JTQLQIEISA-N 2 1 279.344 -0.936 20 0 CBADMP CC(C)[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218965041 824649539 /nfs/dbraw/zinc/64/95/39/824649539.db2.gz DICZDFVOLBUCNQ-UONOGXRCSA-N 2 1 299.415 -0.115 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC001219030030 824654482 /nfs/dbraw/zinc/65/44/82/824654482.db2.gz ZUUWLXYYTBOJOZ-JQWIXIFHSA-N 2 1 276.340 -0.204 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219345647 824695492 /nfs/dbraw/zinc/69/54/92/824695492.db2.gz YZIMOVOXAQUESG-NSHDSACASA-N 2 1 251.286 -0.026 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCn1ccnc1 ZINC001219563860 824731164 /nfs/dbraw/zinc/73/11/64/824731164.db2.gz LGLFMYDDTMPJOI-UHFFFAOYSA-N 2 1 251.334 -0.659 20 0 CBADMP Cc1cccn2c(CNC(=O)[C@@H]([NH3+])CC[NH3+])nnc12 ZINC001219597309 824741200 /nfs/dbraw/zinc/74/12/00/824741200.db2.gz HLSIZEFMUHSWSY-VIFPVBQESA-N 2 1 262.317 -0.670 20 0 CBADMP Cc1cnc(CCNC(=O)C[NH2+]C2CC[NH2+]CC2)nc1 ZINC001219601407 824742214 /nfs/dbraw/zinc/74/22/14/824742214.db2.gz SPCWMUFCLSOSON-UHFFFAOYSA-N 2 1 277.372 -0.215 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219609897 824854695 /nfs/dbraw/zinc/85/46/95/824854695.db2.gz HPJIIGJDBBLMEV-OIBJUYFYSA-N 2 1 297.277 -0.323 20 0 CBADMP [NH3+][C@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1ccsc1 ZINC001219615930 824856023 /nfs/dbraw/zinc/85/60/23/824856023.db2.gz JMOCFUWEFQIHSQ-JBLDHEPKSA-N 2 1 287.360 -0.073 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001219644702 824872038 /nfs/dbraw/zinc/87/20/38/824872038.db2.gz FBMXAOADRBICSX-QJPTWQEYSA-N 2 1 255.362 -0.321 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001219644702 824872041 /nfs/dbraw/zinc/87/20/41/824872041.db2.gz FBMXAOADRBICSX-QJPTWQEYSA-N 2 1 255.362 -0.321 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2c3c(nn2C)C[NH2+]C3)C1 ZINC001219667033 824876941 /nfs/dbraw/zinc/87/69/41/824876941.db2.gz SMMULCACKMHETG-VHSXEESVSA-N 2 1 277.372 -0.001 20 0 CBADMP CN(C(=O)CCNC(=O)C[NH2+]C1CC[NH2+]CC1)C1CC1 ZINC001219693438 824881114 /nfs/dbraw/zinc/88/11/14/824881114.db2.gz XNRJHDAHGDFZDA-UHFFFAOYSA-N 2 1 282.388 -0.545 20 0 CBADMP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1COC[NH2+]1 ZINC001219741299 824888539 /nfs/dbraw/zinc/88/85/39/824888539.db2.gz GONALFCRYIAAQQ-QWRGUYRKSA-N 2 1 269.345 -0.650 20 0 CBADMP [NH3+][C@H]1CC[C@@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764181 824889600 /nfs/dbraw/zinc/88/96/00/824889600.db2.gz AFFLCTSWVABERJ-RHYQMDGZSA-N 2 1 252.362 -0.866 20 0 CBADMP [NH3+][C@H]1CC[C@@H]1C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764181 824889604 /nfs/dbraw/zinc/88/96/04/824889604.db2.gz AFFLCTSWVABERJ-RHYQMDGZSA-N 2 1 252.362 -0.866 20 0 CBADMP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1COCC[NH2+]1 ZINC001219743640 824890389 /nfs/dbraw/zinc/89/03/89/824890389.db2.gz ILCMDCPZZNJOAO-RYUDHWBXSA-N 2 1 283.372 -0.608 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)C1 ZINC001219743962 824890607 /nfs/dbraw/zinc/89/06/07/824890607.db2.gz PZDAPTDMRPUBGE-TUAOUCFPSA-N 2 1 282.388 -0.907 20 0 CBADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1CC[NH2+]C[C@H]1F ZINC001219765930 824890946 /nfs/dbraw/zinc/89/09/46/824890946.db2.gz ILZGFAXKFADVKE-MROQNXINSA-N 2 1 284.379 -0.656 20 0 CBADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1CC[NH2+]C[C@H]1F ZINC001219765930 824890950 /nfs/dbraw/zinc/89/09/50/824890950.db2.gz ILZGFAXKFADVKE-MROQNXINSA-N 2 1 284.379 -0.656 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219768563 824891540 /nfs/dbraw/zinc/89/15/40/824891540.db2.gz NOWHGWBMKCWTFR-JOYOIKCWSA-N 2 1 275.324 -0.525 20 0 CBADMP O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764840 824891775 /nfs/dbraw/zinc/89/17/75/824891775.db2.gz MKNMRCIVSUZKCR-MCIONIFRSA-N 2 1 280.416 -0.214 20 0 CBADMP O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764840 824891777 /nfs/dbraw/zinc/89/17/77/824891777.db2.gz MKNMRCIVSUZKCR-MCIONIFRSA-N 2 1 280.416 -0.214 20 0 CBADMP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802023 824894757 /nfs/dbraw/zinc/89/47/57/824894757.db2.gz DMLQGVBEMMXEQH-XQQFMLRXSA-N 2 1 299.415 -0.333 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805991 824894792 /nfs/dbraw/zinc/89/47/92/824894792.db2.gz XXCXJBFDNSVUDB-AGIUHOORSA-N 2 1 269.389 -0.104 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219801266 824895557 /nfs/dbraw/zinc/89/55/57/824895557.db2.gz WPRJGVAIFLNMKG-LBPRGKRZSA-N 3 1 296.415 -0.787 20 0 CBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800937 824895604 /nfs/dbraw/zinc/89/56/04/824895604.db2.gz PDUXSADUYVEPDP-JQWIXIFHSA-N 2 1 293.371 -0.836 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805929 824896009 /nfs/dbraw/zinc/89/60/09/824896009.db2.gz WODLUIBFCFJSSW-AGIUHOORSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805992 824896037 /nfs/dbraw/zinc/89/60/37/824896037.db2.gz XXCXJBFDNSVUDB-FRRDWIJNSA-N 2 1 269.389 -0.104 20 0 CBADMP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1noc2c1CNCC2 ZINC001219809970 824897333 /nfs/dbraw/zinc/89/73/33/824897333.db2.gz XRWRNSXZKRTBBJ-VIFPVBQESA-N 2 1 267.333 -0.997 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219849715 824902824 /nfs/dbraw/zinc/90/28/24/824902824.db2.gz GMGVTBKRMBESLO-FIQHERPVSA-N 2 1 299.371 -0.992 20 0 CBADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219856743 824902901 /nfs/dbraw/zinc/90/29/01/824902901.db2.gz ZFHZESUCNJCYCV-FVCCEPFGSA-N 2 1 296.415 -0.838 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001219867774 824904879 /nfs/dbraw/zinc/90/48/79/824904879.db2.gz RDXRGLOPZKYARR-OLZOCXBDSA-N 2 1 263.341 -0.303 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1[C@H](O)CC[N@H+]1Cc1ccccc1 ZINC001219867774 824904886 /nfs/dbraw/zinc/90/48/86/824904886.db2.gz RDXRGLOPZKYARR-OLZOCXBDSA-N 2 1 263.341 -0.303 20 0 CBADMP [NH3+]CCNC(=O)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001219876568 824906120 /nfs/dbraw/zinc/90/61/20/824906120.db2.gz XOUWZQDRLDINAH-CYBMUJFWSA-N 2 1 263.341 -0.058 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@H](O)COc1ccccc1 ZINC001219917973 824914738 /nfs/dbraw/zinc/91/47/38/824914738.db2.gz AIPWYOCWQKXKBP-JQWIXIFHSA-N 2 1 267.329 -0.781 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001219934480 824917462 /nfs/dbraw/zinc/91/74/62/824917462.db2.gz DPLBNFKQSFYGDF-LBPRGKRZSA-N 2 1 276.344 -0.389 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@]2(N)CC[NH2+]C2)C1 ZINC001219980521 824929214 /nfs/dbraw/zinc/92/92/14/824929214.db2.gz JYCPCJISJNKTKN-YPMHNXCESA-N 2 1 254.378 -0.475 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001219980497 824929743 /nfs/dbraw/zinc/92/97/43/824929743.db2.gz JIFRXSCYTJWWFM-NEPJUHHUSA-N 2 1 288.461 -0.146 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@]2(N)CC[NH2+]C2)C1 ZINC001219980519 824929960 /nfs/dbraw/zinc/92/99/60/824929960.db2.gz JYCPCJISJNKTKN-DGCLKSJQSA-N 2 1 254.378 -0.475 20 0 CBADMP N=c1sc2c(n1C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)CC[C@H]([NH3+])C2 ZINC001220025428 824937804 /nfs/dbraw/zinc/93/78/04/824937804.db2.gz POOVCMOWDQYBLL-RNJXMRFFSA-N 2 1 281.385 -0.826 20 0 CBADMP COC(=O)c1ccnc(CNC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001220037475 824941023 /nfs/dbraw/zinc/94/10/23/824941023.db2.gz AOCDDHCSFKZHJI-JTQLQIEISA-N 2 1 266.301 -0.840 20 0 CBADMP COC(=O)C1(NC(=O)C[NH2+]C2CC[NH2+]CC2)CCCC1 ZINC001220048546 824944292 /nfs/dbraw/zinc/94/42/92/824944292.db2.gz PLFPPEOUNBDMIX-UHFFFAOYSA-N 2 1 283.372 -0.070 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220071545 824950772 /nfs/dbraw/zinc/95/07/72/824950772.db2.gz IJLWNKHPBYKRHF-CYBMUJFWSA-N 2 1 263.345 -0.331 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220071885 824951062 /nfs/dbraw/zinc/95/10/62/824951062.db2.gz VZHPNJUICKOKEA-UWVGGRQHSA-N 2 1 250.302 -0.831 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220071468 824951086 /nfs/dbraw/zinc/95/10/86/824951086.db2.gz DZTWOIVYNNBLHL-JTQLQIEISA-N 3 1 283.401 -0.392 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220071753 824951268 /nfs/dbraw/zinc/95/12/68/824951268.db2.gz PTKOZQHBPOHOFY-NSHDSACASA-N 2 1 291.355 -0.462 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220071826 824952027 /nfs/dbraw/zinc/95/20/27/824952027.db2.gz TVZRWYJMMKZCIQ-RISCZKNCSA-N 2 1 275.356 -0.460 20 0 CBADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cnc(C[NH3+])s1 ZINC001220103600 824954890 /nfs/dbraw/zinc/95/48/90/824954890.db2.gz YJTMFIPRRUIGHK-UHFFFAOYSA-N 3 1 270.362 -0.324 20 0 CBADMP NC(=[NH2+])N(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccccc1F ZINC001220106368 824956081 /nfs/dbraw/zinc/95/60/81/824956081.db2.gz LCXHRMRKZZIZCH-CBAPKCEASA-N 2 1 266.276 -0.225 20 0 CBADMP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CC[NH3+])[C@H](C)OC1 ZINC001220139645 824965596 /nfs/dbraw/zinc/96/55/96/824965596.db2.gz VEZOGFNGYKVBRS-CBAPKCEASA-N 2 1 271.317 -0.985 20 0 CBADMP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001220158667 824972114 /nfs/dbraw/zinc/97/21/14/824972114.db2.gz DAOJWWPJEPHHEQ-RYUDHWBXSA-N 2 1 284.404 -0.314 20 0 CBADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC1C[NH+](C(C)C)C1 ZINC001220158867 824973251 /nfs/dbraw/zinc/97/32/51/824973251.db2.gz IZXBMJRMOQPKCC-ZDUSSCGKSA-N 2 1 284.404 -0.171 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001220157064 824973309 /nfs/dbraw/zinc/97/33/09/824973309.db2.gz WDBYCDDSQLRLDB-GMXVVIOVSA-N 2 1 252.362 -0.852 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001220159688 824974267 /nfs/dbraw/zinc/97/42/67/824974267.db2.gz QWCPTCKCQSTGKG-JTQLQIEISA-N 3 1 260.407 -0.786 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001220161577 824974417 /nfs/dbraw/zinc/97/44/17/824974417.db2.gz DHKMWSDXOKYIHI-KZVDOYCCSA-N 2 1 266.389 -0.286 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001220161583 824975257 /nfs/dbraw/zinc/97/52/57/824975257.db2.gz DHKMWSDXOKYIHI-OPDFLTKYSA-N 2 1 266.389 -0.286 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@H]1CCNCC1(F)F ZINC001220185348 824983508 /nfs/dbraw/zinc/98/35/08/824983508.db2.gz GJGYFVFSOAKHGS-SFYZADRCSA-N 2 1 250.293 -0.977 20 0 CBADMP COc1ccnc(C(=N)NC(=O)C[NH2+]C2CC[NH2+]CC2)n1 ZINC001220183562 824981095 /nfs/dbraw/zinc/98/10/95/824981095.db2.gz SGLPIYQCYAIPLA-UHFFFAOYSA-N 2 1 292.343 -0.732 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@@H]1CCNCC1(F)F ZINC001220186185 824983394 /nfs/dbraw/zinc/98/33/94/824983394.db2.gz NCZPEYMYLVJAKM-JTQLQIEISA-N 2 1 290.358 -0.311 20 0 CBADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1COCC[NH2+]1 ZINC001220220684 824988917 /nfs/dbraw/zinc/98/89/17/824988917.db2.gz AYBDPXLAUMJSJY-SRVKXCTJSA-N 2 1 255.362 -0.036 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220251700 824994347 /nfs/dbraw/zinc/99/43/47/824994347.db2.gz CAQFHDLCHPEVHC-ZDEQEGDKSA-N 2 1 266.389 -0.463 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001220252388 824996084 /nfs/dbraw/zinc/99/60/84/824996084.db2.gz YXJVSHBLVXBNLU-LDLUMPKVSA-N 2 1 275.418 -0.317 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220252006 824996277 /nfs/dbraw/zinc/99/62/77/824996277.db2.gz LLCCBTGACVVGKV-DGCLKSJQSA-N 2 1 254.378 -0.332 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220252264 824996917 /nfs/dbraw/zinc/99/69/17/824996917.db2.gz UDIBIIWVQKRIQO-UMVBOHGHSA-N 3 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220251806 824996936 /nfs/dbraw/zinc/99/69/36/824996936.db2.gz FYWKBWFIQXJVBE-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP [NH3+]CCN(C(=O)[C@H]([NH3+])Cc1c[nH]cn1)c1cccnc1 ZINC001220261093 824997504 /nfs/dbraw/zinc/99/75/04/824997504.db2.gz QLWUZANTIVOTQN-GFCCVEGCSA-N 2 1 274.328 -0.334 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268638 824999225 /nfs/dbraw/zinc/99/92/25/824999225.db2.gz DYBUUCIXCNUPCD-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269113 824999873 /nfs/dbraw/zinc/99/98/73/824999873.db2.gz QCXGTKHHSTVUBU-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCCC(=O)Nc1ccc(F)cc1 ZINC001220269169 825000135 /nfs/dbraw/zinc/00/01/35/825000135.db2.gz WMHUYZZFWQFIJI-NSHDSACASA-N 2 1 282.319 -0.053 20 0 CBADMP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276490 825002616 /nfs/dbraw/zinc/00/26/16/825002616.db2.gz CIMCZZHZHMJBBI-UTUOFQBUSA-N 2 1 273.377 -0.866 20 0 CBADMP C[N@@H+]1CCCN(CCNC(=O)c2cnc(C[NH3+])s2)CC1 ZINC001220306146 825009235 /nfs/dbraw/zinc/00/92/35/825009235.db2.gz DIMWJSTVSNHXRS-UHFFFAOYSA-N 2 1 297.428 -0.031 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)c2cnc(C[NH3+])s2)CC1 ZINC001220306146 825009236 /nfs/dbraw/zinc/00/92/36/825009236.db2.gz DIMWJSTVSNHXRS-UHFFFAOYSA-N 2 1 297.428 -0.031 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001220306812 825010859 /nfs/dbraw/zinc/01/08/59/825010859.db2.gz OXWHHHNOERDTFC-QWHCGFSZSA-N 2 1 286.395 -0.312 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001220307158 825010907 /nfs/dbraw/zinc/01/09/07/825010907.db2.gz SYZMGTBXOFHFQQ-AWEZNQCLSA-N 3 1 297.447 -0.933 20 0 CBADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCc1c[nH]nn1 ZINC001220329743 825016508 /nfs/dbraw/zinc/01/65/08/825016508.db2.gz YWLMIUGVWLSSNW-JTQLQIEISA-N 2 1 254.338 -0.520 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCCNC(=O)Nc1ccccc1 ZINC001220341578 825018656 /nfs/dbraw/zinc/01/86/56/825018656.db2.gz ZYJUGELLWTWYEI-NSHDSACASA-N 2 1 279.344 -0.400 20 0 CBADMP CCOC(=O)C1(CNC(=O)[C@@H]([NH3+])CC[NH3+])CCC1 ZINC001220370804 825021810 /nfs/dbraw/zinc/02/18/10/825021810.db2.gz DKOKATWVLFWNSZ-VIFPVBQESA-N 2 1 257.334 -0.488 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387761 825026935 /nfs/dbraw/zinc/02/69/35/825026935.db2.gz PWGXXKPXOOEKMR-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCCc1c[nH]c2cccnc12 ZINC001220385955 825027385 /nfs/dbraw/zinc/02/73/85/825027385.db2.gz DXVVTAPBGLAREA-JTQLQIEISA-N 2 1 261.329 -0.102 20 0 CBADMP [NH3+][C@H](C(=O)NC[C@H]1COCC[NH2+]1)c1ccsc1 ZINC001220429724 825036723 /nfs/dbraw/zinc/03/67/23/825036723.db2.gz YIUZWZDUKMCOAN-UWVGGRQHSA-N 2 1 255.343 -0.148 20 0 CBADMP O=C(CN1CC[NH2+]CC1)NC1CC[NH+](CCF)CC1 ZINC001220436174 825039680 /nfs/dbraw/zinc/03/96/80/825039680.db2.gz RXVDCCXSMCBNBG-UHFFFAOYSA-N 2 1 272.368 -0.558 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)NC1CC[NH+](CCF)CC1 ZINC001220436047 825040006 /nfs/dbraw/zinc/04/00/06/825040006.db2.gz POUGUIVLSOHKEZ-GFCCVEGCSA-N 2 1 273.352 -0.085 20 0 CBADMP O=C(NC1CC[NH+](CCF)CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220435603 825040182 /nfs/dbraw/zinc/04/01/82/825040182.db2.gz KKSABDICFXCVBG-WCFLWFBJSA-N 2 1 284.379 -0.514 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@@H](CO)C(F)(F)F ZINC001220447652 825041349 /nfs/dbraw/zinc/04/13/49/825041349.db2.gz NKBDZNJNOJRQLP-QMMMGPOBSA-N 2 1 269.267 -0.633 20 0 CBADMP C[C@H]1COCC[C@H]1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220566018 825064769 /nfs/dbraw/zinc/06/47/69/825064769.db2.gz XLFXCKCFZSQQJE-CMPLNLGQSA-N 2 1 255.362 -0.131 20 0 CBADMP O=C(NCC[NH+]1CC2(COC2)C1)[C@H]1CC[NH2+]C[C@@H]1F ZINC001220571150 825067095 /nfs/dbraw/zinc/06/70/95/825067095.db2.gz KFLKNFPNKUHUDM-QWRGUYRKSA-N 2 1 271.336 -0.618 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1O ZINC001220575404 825068034 /nfs/dbraw/zinc/06/80/34/825068034.db2.gz VATYVFZENNDABI-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP Cn1nc(CNC(=O)[C@@H]([NH3+])CC[NH3+])c2ccccc21 ZINC001220632175 825078046 /nfs/dbraw/zinc/07/80/46/825078046.db2.gz MXABRKUDNULUPG-JTQLQIEISA-N 2 1 261.329 -0.134 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)COC)C[C@@H]1O ZINC001220688481 825086487 /nfs/dbraw/zinc/08/64/87/825086487.db2.gz IDRQJXIOGRBCGJ-XQQFMLRXSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@@H]1O ZINC001220688481 825086497 /nfs/dbraw/zinc/08/64/97/825086497.db2.gz IDRQJXIOGRBCGJ-XQQFMLRXSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@@H]1O ZINC001220688481 825086508 /nfs/dbraw/zinc/08/65/08/825086508.db2.gz IDRQJXIOGRBCGJ-XQQFMLRXSA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@H]1COCCN1CCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220725916 825093627 /nfs/dbraw/zinc/09/36/27/825093627.db2.gz ZYNOBUXKFWMJNJ-LBPRGKRZSA-N 2 1 284.404 -0.835 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1O)C2 ZINC001220716828 825093980 /nfs/dbraw/zinc/09/39/80/825093980.db2.gz SGYWAQSNOWUJBT-WJTVCTBASA-N 2 1 267.373 -0.302 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[NH2+]CCN1)C2 ZINC001220716734 825094268 /nfs/dbraw/zinc/09/42/68/825094268.db2.gz PSZVEUWLFLXROU-RVMXOQNASA-N 2 1 266.389 -0.321 20 0 CBADMP CC(=O)NC[C@H](C)CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220757136 825097433 /nfs/dbraw/zinc/09/74/33/825097433.db2.gz VHHPRMVGQHREGX-JTQLQIEISA-N 2 1 270.377 -0.784 20 0 CBADMP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1COCC[NH2+]1 ZINC001220791429 825102540 /nfs/dbraw/zinc/10/25/40/825102540.db2.gz YBFNAPITYGJEIM-IHRRRGAJSA-N 2 1 290.367 -0.163 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803084 825104164 /nfs/dbraw/zinc/10/41/64/825104164.db2.gz BOWFITPYZQREDD-CSMHCCOUSA-N 3 1 268.283 -0.681 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C1 ZINC001220806048 825104180 /nfs/dbraw/zinc/10/41/80/825104180.db2.gz XEXRLXJMJRDRRX-XGEHTFHBSA-N 2 1 280.294 -0.668 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@@H]1O ZINC001220825665 825107042 /nfs/dbraw/zinc/10/70/42/825107042.db2.gz ABYKFHKXCCECDD-XQQFMLRXSA-N 2 1 287.404 -0.740 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001220825665 825107045 /nfs/dbraw/zinc/10/70/45/825107045.db2.gz ABYKFHKXCCECDD-XQQFMLRXSA-N 2 1 287.404 -0.740 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001220825665 825107046 /nfs/dbraw/zinc/10/70/46/825107046.db2.gz ABYKFHKXCCECDD-XQQFMLRXSA-N 2 1 287.404 -0.740 20 0 CBADMP CCCC[C@H]([NH2+]C)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220872092 825116535 /nfs/dbraw/zinc/11/65/35/825116535.db2.gz JZFKTYISZORAAL-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP COC(=O)[C@H]1C[C@H]1CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220881339 825118733 /nfs/dbraw/zinc/11/87/33/825118733.db2.gz ITJXYSHLAFAXPT-ONGXEEELSA-N 2 1 269.345 -0.747 20 0 CBADMP CC(C)C[C@@](C)([NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220875249 825118953 /nfs/dbraw/zinc/11/89/53/825118953.db2.gz ZHXYOMQYSYPMFO-CYBMUJFWSA-N 2 1 270.377 -0.702 20 0 CBADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CCC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220884372 825120324 /nfs/dbraw/zinc/12/03/24/825120324.db2.gz APJNGKCXBMGUMX-QWHCGFSZSA-N 3 1 296.415 -0.693 20 0 CBADMP CN1C[C@H](C(=O)N[C@H]2CCC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220884372 825120328 /nfs/dbraw/zinc/12/03/28/825120328.db2.gz APJNGKCXBMGUMX-QWHCGFSZSA-N 2 1 296.415 -0.693 20 0 CBADMP O=C(N[C@H]1CC[N@H+](Cc2cccnc2)C1)[C@H]1C[NH2+]C[C@H]1O ZINC001220914820 825124736 /nfs/dbraw/zinc/12/47/36/825124736.db2.gz BMVZWOOJJMTZCJ-MELADBBJSA-N 2 1 290.367 -0.648 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](Cc2cccnc2)C1)[C@H]1C[NH2+]C[C@H]1O ZINC001220914820 825124743 /nfs/dbraw/zinc/12/47/43/825124743.db2.gz BMVZWOOJJMTZCJ-MELADBBJSA-N 2 1 290.367 -0.648 20 0 CBADMP [NH3+]C[C@@H](O)CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001220915227 825124796 /nfs/dbraw/zinc/12/47/96/825124796.db2.gz SQXLISPJRVLETK-STQMWFEESA-N 2 1 278.356 -0.518 20 0 CBADMP [NH3+]C[C@@H](O)CC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001220915227 825124800 /nfs/dbraw/zinc/12/48/00/825124800.db2.gz SQXLISPJRVLETK-STQMWFEESA-N 2 1 278.356 -0.518 20 0 CBADMP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]([NH3+])Cc1cccc(O)c1 ZINC001220951047 825128988 /nfs/dbraw/zinc/12/89/88/825128988.db2.gz OJLUGTMJPAELDV-LBPRGKRZSA-N 2 1 287.323 -0.263 20 0 CBADMP O=C(NCc1[nH+]cn2ccccc12)[C@H]1[NH2+]CC[C@@H]1O ZINC001221008449 825135279 /nfs/dbraw/zinc/13/52/79/825135279.db2.gz SYMOBMIOUAKZCT-RYUDHWBXSA-N 2 1 260.297 -0.327 20 0 CBADMP O=C(N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1)[C@@H]1COC[NH2+]1 ZINC001221056017 825140561 /nfs/dbraw/zinc/14/05/61/825140561.db2.gz BLUZEOFFMAKOEZ-AVGNSLFASA-N 2 1 283.372 -0.308 20 0 CBADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001221073276 825141620 /nfs/dbraw/zinc/14/16/20/825141620.db2.gz NVFRWOFPQXBQGT-KGLIPLIRSA-N 2 1 299.415 -0.594 20 0 CBADMP COCCC1([NH3+])CCN(C(=O)[C@@H]2COC[NH2+]2)CC1 ZINC001221134226 825146955 /nfs/dbraw/zinc/14/69/55/825146955.db2.gz QJKJTNVUWVORLL-JTQLQIEISA-N 2 1 257.334 -0.711 20 0 CBADMP COCCC1([NH3+])CCN(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC001221133994 825147187 /nfs/dbraw/zinc/14/71/87/825147187.db2.gz FWZNOVPCVUJMHD-GFCCVEGCSA-N 2 1 295.387 -0.364 20 0 CBADMP CC(C)(C)[NH+]1CC(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221194087 825152774 /nfs/dbraw/zinc/15/27/74/825152774.db2.gz LKZDULSYIWFUKL-LBPRGKRZSA-N 3 1 268.405 -0.088 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001221241250 825158587 /nfs/dbraw/zinc/15/85/87/825158587.db2.gz QZQWTGQWZPDSKX-WCQYABFASA-N 3 1 266.389 -0.604 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001221254751 825161873 /nfs/dbraw/zinc/16/18/73/825161873.db2.gz RYYPHLHJDMAVQF-LOWVWBTDSA-N 2 1 252.362 -0.994 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001221254666 825162154 /nfs/dbraw/zinc/16/21/54/825162154.db2.gz RYYPHLHJDMAVQF-DMDPSCGWSA-N 2 1 252.362 -0.994 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221254773 825162449 /nfs/dbraw/zinc/16/24/49/825162449.db2.gz SRVFCVOFYXLJIB-CMPLNLGQSA-N 3 1 254.378 -0.619 20 0 CBADMP CCOC(=O)/C=C(/NC(=O)C[NH2+]C1CC[NH2+]CC1)OCC ZINC001221262633 825164233 /nfs/dbraw/zinc/16/42/33/825164233.db2.gz KZYYMHIZXXSJKI-LCYFTJDESA-N 2 1 299.371 -0.115 20 0 CBADMP C[N@H+]1C[C@H](C(=O)NCCCCCO)OC2(CC[NH2+]CC2)C1 ZINC001221281274 825167266 /nfs/dbraw/zinc/16/72/66/825167266.db2.gz AMAGWWBYJUZGAQ-CYBMUJFWSA-N 2 1 299.415 -0.282 20 0 CBADMP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1COCC[NH2+]1 ZINC001221331083 825172540 /nfs/dbraw/zinc/17/25/40/825172540.db2.gz BUFHBGYLPMFAPL-KBPBESRZSA-N 2 1 275.352 -0.113 20 0 CBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@H]2F)C1 ZINC001221365464 825176297 /nfs/dbraw/zinc/17/62/97/825176297.db2.gz DFROZGCLNUMUSI-UTUOFQBUSA-N 2 1 286.395 -0.125 20 0 CBADMP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H](O)C[NH3+] ZINC001221357674 825175919 /nfs/dbraw/zinc/17/59/19/825175919.db2.gz QHRRGVDBJQEUES-NWDGAFQWSA-N 2 1 287.404 -0.441 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001221389227 825180233 /nfs/dbraw/zinc/18/02/33/825180233.db2.gz IYWDHBLHKLPXLT-SNVBAGLBSA-N 4 1 272.397 -0.884 20 0 CBADMP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC001221402481 825182425 /nfs/dbraw/zinc/18/24/25/825182425.db2.gz BDHJBFWGQVQFPS-STQMWFEESA-N 2 1 279.340 -0.200 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001221399139 825182510 /nfs/dbraw/zinc/18/25/10/825182510.db2.gz MISKLZSROFZCPY-RDBSUJKOSA-N 2 1 274.368 -0.494 20 0 CBADMP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC001221402480 825183379 /nfs/dbraw/zinc/18/33/79/825183379.db2.gz BDHJBFWGQVQFPS-OLZOCXBDSA-N 2 1 279.340 -0.200 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)[C@H](C)C1 ZINC001221405895 825183953 /nfs/dbraw/zinc/18/39/53/825183953.db2.gz CKYDREAEFBBDMV-LPWJVIDDSA-N 2 1 268.405 -0.089 20 0 CBADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)[C@H](C)C1 ZINC001221405895 825183957 /nfs/dbraw/zinc/18/39/57/825183957.db2.gz CKYDREAEFBBDMV-LPWJVIDDSA-N 2 1 268.405 -0.089 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)[C@H](C)C1 ZINC001221405895 825183961 /nfs/dbraw/zinc/18/39/61/825183961.db2.gz CKYDREAEFBBDMV-LPWJVIDDSA-N 2 1 268.405 -0.089 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@H]2O)[C@H](C)C1 ZINC001221407042 825184708 /nfs/dbraw/zinc/18/47/08/825184708.db2.gz KHAMJDQXTBAMMF-MROQNXINSA-N 2 1 269.389 -0.198 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CC[C@H]2O)[C@H](C)C1 ZINC001221408461 825185267 /nfs/dbraw/zinc/18/52/67/825185267.db2.gz JMJWVYIMDYSTJI-XQHKEYJVSA-N 2 1 269.389 -0.056 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221410128 825185410 /nfs/dbraw/zinc/18/54/10/825185410.db2.gz QAXAFOYLNMGZDA-HNNXBMFYSA-N 3 1 280.416 -0.168 20 0 CBADMP C[C@@]1(C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)COCC[NH2+]1 ZINC001221410799 825185852 /nfs/dbraw/zinc/18/58/52/825185852.db2.gz RKXAZRLLKBYJIU-JSGCOSHPSA-N 2 1 267.373 -0.131 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221411869 825187871 /nfs/dbraw/zinc/18/78/71/825187871.db2.gz YHLRHSLWWABMMY-OLZOCXBDSA-N 2 1 277.372 -0.216 20 0 CBADMP C(C[N@H+]1CCNC2(CC[NH2+]CC2)C1)N1CCOCC1 ZINC001222085681 825199716 /nfs/dbraw/zinc/19/97/16/825199716.db2.gz IAPCGKYTCXEZAA-UHFFFAOYSA-N 2 1 268.405 -0.654 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCN1C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001222414577 825210109 /nfs/dbraw/zinc/21/01/09/825210109.db2.gz MMPMZOVMVBUXHS-MXWKQRLJSA-N 2 1 291.342 -0.076 20 0 CBADMP C(CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21)N1CCOCC1 ZINC001222492004 825211696 /nfs/dbraw/zinc/21/16/96/825211696.db2.gz MUFDPDHPGUPMPH-KBPBESRZSA-N 2 1 268.405 -0.656 20 0 CBADMP C(C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21)[C@@H]1C[NH2+]CCO1 ZINC001222491543 825212829 /nfs/dbraw/zinc/21/28/29/825212829.db2.gz DPLXAPTUDUKJJV-RDBSUJKOSA-N 3 1 268.405 -0.609 20 0 CBADMP C(CN1CCN[C@H]2CC[NH2+]CC[C@@H]21)[C@@H]1C[NH2+]CCO1 ZINC001222491543 825212837 /nfs/dbraw/zinc/21/28/37/825212837.db2.gz DPLXAPTUDUKJJV-RDBSUJKOSA-N 2 1 268.405 -0.609 20 0 CBADMP C([C@@H]1C[NH2+]CCO1)N1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001222666267 825219731 /nfs/dbraw/zinc/21/97/31/825219731.db2.gz ANNBWHSJFPTERM-UONOGXRCSA-N 2 1 268.405 -0.608 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC1CC[NH+](CCO)CC1 ZINC001224855837 825249928 /nfs/dbraw/zinc/24/99/28/825249928.db2.gz WHSBIECJRMGXGJ-UHFFFAOYSA-N 2 1 299.415 -0.471 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001228888746 825323582 /nfs/dbraw/zinc/32/35/82/825323582.db2.gz LJMVSLXIWDUTRF-LLVKDONJSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H](C(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1)[NH+](C)C ZINC001229254059 825329667 /nfs/dbraw/zinc/32/96/67/825329667.db2.gz OFEGWRLVLDQSAB-PWSUYJOCSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001230374357 825345980 /nfs/dbraw/zinc/34/59/80/825345980.db2.gz SOUOIYDKNPLOGU-CYBMUJFWSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001230374357 825345988 /nfs/dbraw/zinc/34/59/88/825345988.db2.gz SOUOIYDKNPLOGU-CYBMUJFWSA-N 2 1 296.415 -0.204 20 0 CBADMP Cn1cc(C[N@H+](C)C2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC001231767031 825414665 /nfs/dbraw/zinc/41/46/65/825414665.db2.gz NSHHNSZAWXWUOG-UHFFFAOYSA-N 2 1 280.372 -0.390 20 0 CBADMP Cn1cc(C[N@@H+](C)C2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC001231767031 825414668 /nfs/dbraw/zinc/41/46/68/825414668.db2.gz NSHHNSZAWXWUOG-UHFFFAOYSA-N 2 1 280.372 -0.390 20 0 CBADMP c1nc2c(cc1CN1CC[NH2+]C[C@@]13CC[NH2+]C3)OCCO2 ZINC001234985318 825479660 /nfs/dbraw/zinc/47/96/60/825479660.db2.gz AGWONYSPIZBHFS-HNNXBMFYSA-N 2 1 290.367 -0.010 20 0 CBADMP COc1nccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)n1 ZINC001234987124 825480152 /nfs/dbraw/zinc/48/01/52/825480152.db2.gz MMOQSGNRWYWHNB-ZDUSSCGKSA-N 2 1 263.345 -0.378 20 0 CBADMP Nc1ncc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)s1 ZINC001234986375 825480659 /nfs/dbraw/zinc/48/06/59/825480659.db2.gz KBBIHABDLKHRAC-NSHDSACASA-N 2 1 253.375 -0.137 20 0 CBADMP CCOC(=O)c1nc[nH]c1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234988607 825480825 /nfs/dbraw/zinc/48/08/25/825480825.db2.gz JVAMDLBYQQSJGQ-AWEZNQCLSA-N 2 1 293.371 -0.276 20 0 CBADMP Nc1ccnc(F)c1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234991316 825482544 /nfs/dbraw/zinc/48/25/44/825482544.db2.gz GXQWNHDBBDNUKM-CYBMUJFWSA-N 2 1 265.336 -0.060 20 0 CBADMP c1nc2n(c1CN1CCN[C@@]3(CC[NH2+]C3)C1)CC[NH2+]C2 ZINC001235059965 825485018 /nfs/dbraw/zinc/48/50/18/825485018.db2.gz DFQANDKWFMEFLV-CQSZACIVSA-N 2 1 276.388 -0.876 20 0 CBADMP CC(C)(C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC001235055603 825485501 /nfs/dbraw/zinc/48/55/01/825485501.db2.gz TXAUFBTZEVBGRF-HNNXBMFYSA-N 2 1 282.432 -0.266 20 0 CBADMP CC(C)(C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC001235055603 825485504 /nfs/dbraw/zinc/48/55/04/825485504.db2.gz TXAUFBTZEVBGRF-HNNXBMFYSA-N 2 1 282.432 -0.266 20 0 CBADMP [NH3+]CCN1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001235516465 825499723 /nfs/dbraw/zinc/49/97/23/825499723.db2.gz JKZHEGWLQYFQFO-NEPJUHHUSA-N 2 1 263.345 -0.427 20 0 CBADMP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](C[C@H](C)[NH3+])C[C@H]21 ZINC001235511161 825499833 /nfs/dbraw/zinc/49/98/33/825499833.db2.gz PCXFPIZBZQGNTB-WHOHXGKFSA-N 2 1 255.362 -0.193 20 0 CBADMP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](C[C@H](C)[NH3+])C[C@H]21 ZINC001235511161 825499839 /nfs/dbraw/zinc/49/98/39/825499839.db2.gz PCXFPIZBZQGNTB-WHOHXGKFSA-N 2 1 255.362 -0.193 20 0 CBADMP COCCN1C[C@@H]2C[N@@H+](CCCC[NH3+])C[C@@H]2C1=O ZINC001235596228 825507267 /nfs/dbraw/zinc/50/72/67/825507267.db2.gz GTBGYKGDAIWOQI-RYUDHWBXSA-N 2 1 255.362 -0.238 20 0 CBADMP C1=CO[C@@H](C[NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001235868479 825515766 /nfs/dbraw/zinc/51/57/66/825515766.db2.gz FFSOUCXYJUSGIY-CQSZACIVSA-N 2 1 268.405 -0.237 20 0 CBADMP C([C@H]1CCCO1)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235871090 825516261 /nfs/dbraw/zinc/51/62/61/825516261.db2.gz STHGPMLKSYPYCO-CYBMUJFWSA-N 2 1 256.394 -0.750 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@@H](C)[NH3+])C[C@H]1C2 ZINC001236024116 825519640 /nfs/dbraw/zinc/51/96/40/825519640.db2.gz VYPPDCOHWDMPLZ-DIACKHNESA-N 3 1 267.373 -0.336 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C[C@@H](C)[NH3+])C[C@H]1C2 ZINC001236024116 825519644 /nfs/dbraw/zinc/51/96/44/825519644.db2.gz VYPPDCOHWDMPLZ-DIACKHNESA-N 2 1 267.373 -0.336 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@@H](C)N)C[C@H]1C2 ZINC001236024116 825519647 /nfs/dbraw/zinc/51/96/47/825519647.db2.gz VYPPDCOHWDMPLZ-DIACKHNESA-N 2 1 267.373 -0.336 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@@H](C)N)C[C@H]1C2 ZINC001236024116 825519648 /nfs/dbraw/zinc/51/96/48/825519648.db2.gz VYPPDCOHWDMPLZ-DIACKHNESA-N 2 1 267.373 -0.336 20 0 CBADMP Cn1c(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cccc1=O ZINC001236001174 825520194 /nfs/dbraw/zinc/52/01/94/825520194.db2.gz DEQIEZHFJVEJIA-BVUQATHDSA-N 2 1 263.341 -0.209 20 0 CBADMP Cn1c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cccc1=O ZINC001236001174 825520201 /nfs/dbraw/zinc/52/02/01/825520201.db2.gz DEQIEZHFJVEJIA-BVUQATHDSA-N 2 1 263.341 -0.209 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)C1 ZINC001236066320 825522925 /nfs/dbraw/zinc/52/29/25/825522925.db2.gz HHPNPJZGKAGWMN-WJTVCTBASA-N 2 1 286.372 -0.235 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)C1 ZINC001236066320 825522929 /nfs/dbraw/zinc/52/29/29/825522929.db2.gz HHPNPJZGKAGWMN-WJTVCTBASA-N 2 1 286.372 -0.235 20 0 CBADMP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)C1 ZINC001236066318 825523092 /nfs/dbraw/zinc/52/30/92/825523092.db2.gz HHPNPJZGKAGWMN-FHUSYTEZSA-N 2 1 286.372 -0.235 20 0 CBADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)C1 ZINC001236066318 825523099 /nfs/dbraw/zinc/52/30/99/825523099.db2.gz HHPNPJZGKAGWMN-FHUSYTEZSA-N 2 1 286.372 -0.235 20 0 CBADMP Cn1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(=O)n(C)c1=O ZINC001236322209 825527320 /nfs/dbraw/zinc/52/73/20/825527320.db2.gz SYZQSOLRVQOYME-TXEJJXNPSA-N 2 1 292.383 -0.485 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1N ZINC001236344758 825528271 /nfs/dbraw/zinc/52/82/71/825528271.db2.gz SJXMCQMFHLXXBJ-TUAOUCFPSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC001236344758 825528273 /nfs/dbraw/zinc/52/82/73/825528273.db2.gz SJXMCQMFHLXXBJ-TUAOUCFPSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CCC23CC([NH3+])(C2)C3)C[C@H]1N ZINC001236343229 825528625 /nfs/dbraw/zinc/52/86/25/825528625.db2.gz OYHGDFCTJZEXRQ-ITSCGTHASA-N 2 1 253.346 -0.310 20 0 CBADMP COC(=O)[C@@H]1CN(CCC23CC([NH3+])(C2)C3)C[C@H]1[NH3+] ZINC001236343229 825528632 /nfs/dbraw/zinc/52/86/32/825528632.db2.gz OYHGDFCTJZEXRQ-ITSCGTHASA-N 2 1 253.346 -0.310 20 0 CBADMP 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 825533912 /nfs/dbraw/zinc/53/39/12/825533912.db2.gz LDDMLMKGROMBMM-UCHMUAQZSA-N 2 1 298.383 -0.107 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(=O)n(C)c1=O ZINC001237405891 825535020 /nfs/dbraw/zinc/53/50/20/825535020.db2.gz SJBHSSGCEKAWBL-AAEUAGOBSA-N 2 1 292.383 -0.342 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(=O)n(C)c1=O ZINC001237405891 825535024 /nfs/dbraw/zinc/53/50/24/825535024.db2.gz SJBHSSGCEKAWBL-AAEUAGOBSA-N 2 1 292.383 -0.342 20 0 CBADMP O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ncc[nH]1 ZINC001238241875 825550479 /nfs/dbraw/zinc/55/04/79/825550479.db2.gz MMONZZLIGLGWNU-SNVBAGLBSA-N 2 1 299.400 -0.438 20 0 CBADMP [NH3+][C@@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)CCC1(F)F ZINC001238983643 825580519 /nfs/dbraw/zinc/58/05/19/825580519.db2.gz LMKUDWXHKPJJHB-SECBINFHSA-N 2 1 283.344 -0.264 20 0 CBADMP CCO[C@@H]1C[C@H]2CN(S(=O)(=O)CC[NH3+])CC[N@H+]2C1 ZINC001239080128 825584905 /nfs/dbraw/zinc/58/49/05/825584905.db2.gz BKJMSVKREXJLKV-WDEREUQCSA-N 2 1 277.390 -0.930 20 0 CBADMP Cc1cc[nH+]c(N2CCN(S(=O)(=O)CC[NH3+])CC2)c1 ZINC001239092820 825586441 /nfs/dbraw/zinc/58/64/41/825586441.db2.gz AYZQYCIQWNRIFO-UHFFFAOYSA-N 2 1 284.385 -0.199 20 0 CBADMP CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001239117149 825589656 /nfs/dbraw/zinc/58/96/56/825589656.db2.gz KEXQVVXXHLPEMR-MNOVXSKESA-N 2 1 261.391 -0.248 20 0 CBADMP O=S(=O)(CC1CC[NH2+]CC1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001239166706 825595548 /nfs/dbraw/zinc/59/55/48/825595548.db2.gz BLNAIFIGKDESNZ-LBPRGKRZSA-N 2 1 273.402 -0.294 20 0 CBADMP O=S(=O)(CC1CC[NH2+]CC1)N1CC[N@H+]2CC[C@H]2C1 ZINC001239166706 825595552 /nfs/dbraw/zinc/59/55/52/825595552.db2.gz BLNAIFIGKDESNZ-LBPRGKRZSA-N 2 1 273.402 -0.294 20 0 CBADMP O=C1CC[NH2+]C[C@@H]1NC(=S)NCC[NH+]1CCCCC1 ZINC001239377384 825601682 /nfs/dbraw/zinc/60/16/82/825601682.db2.gz KLONLSCLWJELCH-NSHDSACASA-N 2 1 284.429 -0.133 20 0 CBADMP S=C(NCCC[NH+]1CCOCC1)N1C[C@H]2C[NH2+]C[C@H]21 ZINC001239452232 825605470 /nfs/dbraw/zinc/60/54/70/825605470.db2.gz OCQNJYPERQKGDG-VXGBXAGGSA-N 2 1 284.429 -0.513 20 0 CBADMP CCCOC[C@H](O)C[NH2+]Cc1nnc2n1CCC[NH2+]C2 ZINC001245983618 825617547 /nfs/dbraw/zinc/61/75/47/825617547.db2.gz HAGAHBYAAUGOAL-LLVKDONJSA-N 2 1 283.376 -0.352 20 0 CBADMP CCOC[C@@H](O)CNC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245985965 825617640 /nfs/dbraw/zinc/61/76/40/825617640.db2.gz NPJZMYPGZCNWEJ-STQMWFEESA-N 2 1 271.405 -0.152 20 0 CBADMP COC[C@@H](O)CNC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245987392 825618004 /nfs/dbraw/zinc/61/80/04/825618004.db2.gz RUIKOGCVQFSLHB-NEPJUHHUSA-N 2 1 257.378 -0.543 20 0 CBADMP CCOC[C@@H](O)CNC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245985963 825618091 /nfs/dbraw/zinc/61/80/91/825618091.db2.gz NPJZMYPGZCNWEJ-OLZOCXBDSA-N 2 1 271.405 -0.152 20 0 CBADMP CCOC[C@H](O)CNC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245985964 825618440 /nfs/dbraw/zinc/61/84/40/825618440.db2.gz NPJZMYPGZCNWEJ-QWHCGFSZSA-N 2 1 271.405 -0.152 20 0 CBADMP CCCOC[C@@H](O)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246017397 825621930 /nfs/dbraw/zinc/62/19/30/825621930.db2.gz ASRQSIVUSLYFOD-QWHCGFSZSA-N 2 1 260.378 -0.050 20 0 CBADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC001246020397 825622083 /nfs/dbraw/zinc/62/20/83/825622083.db2.gz LATMQRUFGLBVOZ-UONOGXRCSA-N 2 1 289.395 -0.168 20 0 CBADMP C[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)CC[C@H]1C[NH3+] ZINC001246020284 825622478 /nfs/dbraw/zinc/62/24/78/825622478.db2.gz KJLCRJAMGYCHMK-QLFBSQMISA-N 2 1 285.432 -0.014 20 0 CBADMP COc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246020222 825623262 /nfs/dbraw/zinc/62/32/62/825623262.db2.gz ILEMZAKCOOYNGW-AVGNSLFASA-N 2 1 296.367 -0.314 20 0 CBADMP COc1ccccc1OC[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246020222 825623263 /nfs/dbraw/zinc/62/32/63/825623263.db2.gz ILEMZAKCOOYNGW-AVGNSLFASA-N 2 1 296.367 -0.314 20 0 CBADMP CC(C)(C)OC(=O)[C@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246023026 825624175 /nfs/dbraw/zinc/62/41/75/825624175.db2.gz RTCQXVLQFRWTFM-BXUZGUMPSA-N 2 1 288.388 -0.135 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@@H]1O ZINC001246024569 825624319 /nfs/dbraw/zinc/62/43/19/825624319.db2.gz UWSAZGKUUQPSKV-LOWVWBTDSA-N 2 1 270.329 -0.592 20 0 CBADMP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC001246022083 825624740 /nfs/dbraw/zinc/62/47/40/825624740.db2.gz ZERFYIHTCXSZOY-XQQFMLRXSA-N 2 1 257.378 -0.461 20 0 CBADMP Cc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246026112 825626112 /nfs/dbraw/zinc/62/61/12/825626112.db2.gz ZMJQZCNYKNTDKC-YDHLFZDLSA-N 2 1 280.368 -0.014 20 0 CBADMP Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246026112 825626113 /nfs/dbraw/zinc/62/61/13/825626113.db2.gz ZMJQZCNYKNTDKC-YDHLFZDLSA-N 2 1 280.368 -0.014 20 0 CBADMP [NH3+]C[C@]1(O)CCCC[N@@H+](CC2(O)CCOCC2)C1 ZINC001246025070 825626147 /nfs/dbraw/zinc/62/61/47/825626147.db2.gz SABZSSWDEXPRNA-CYBMUJFWSA-N 2 1 258.362 -0.296 20 0 CBADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](CC2(O)CCOCC2)C1 ZINC001246025072 825626571 /nfs/dbraw/zinc/62/65/71/825626571.db2.gz SABZSSWDEXPRNA-ZDUSSCGKSA-N 2 1 258.362 -0.296 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC[C@@H]1F ZINC001246028257 825626586 /nfs/dbraw/zinc/62/65/86/825626586.db2.gz JFKXGOBXFMLTRT-FRRDWIJNSA-N 3 1 289.395 -0.387 20 0 CBADMP N[C@@H]1CC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC[C@@H]1F ZINC001246028257 825626593 /nfs/dbraw/zinc/62/65/93/825626593.db2.gz JFKXGOBXFMLTRT-FRRDWIJNSA-N 2 1 289.395 -0.387 20 0 CBADMP N[C@@H]1CC[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC[C@@H]1F ZINC001246028257 825626598 /nfs/dbraw/zinc/62/65/98/825626598.db2.gz JFKXGOBXFMLTRT-FRRDWIJNSA-N 2 1 289.395 -0.387 20 0 CBADMP [NH3+][C@@H]1CCN(C[C@H](O)CC2(O)CC[NH2+]CC2)CC[C@@H]1F ZINC001246028257 825626602 /nfs/dbraw/zinc/62/66/02/825626602.db2.gz JFKXGOBXFMLTRT-FRRDWIJNSA-N 2 1 289.395 -0.387 20 0 CBADMP OC1(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)CCOCC1 ZINC001246028705 825627122 /nfs/dbraw/zinc/62/71/22/825627122.db2.gz KIXATMASKDFGAR-UHFFFAOYSA-N 2 1 269.389 -0.445 20 0 CBADMP CC(C)(C)OC[C@H](O)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246029582 825627689 /nfs/dbraw/zinc/62/76/89/825627689.db2.gz QHVUWLLSIRLZRU-OCCSQVGLSA-N 2 1 271.405 -0.200 20 0 CBADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246032072 825627813 /nfs/dbraw/zinc/62/78/13/825627813.db2.gz JAGXBSJJFLEVTD-KBPBESRZSA-N 3 1 285.432 -0.087 20 0 CBADMP O[C@]1(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC001246034733 825629052 /nfs/dbraw/zinc/62/90/52/825629052.db2.gz XWQATJDNXVTGCA-CQSZACIVSA-N 3 1 268.405 -0.872 20 0 CBADMP O[C@]1(CN2CCNC3(CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC001246034733 825629056 /nfs/dbraw/zinc/62/90/56/825629056.db2.gz XWQATJDNXVTGCA-CQSZACIVSA-N 2 1 268.405 -0.872 20 0 CBADMP OC1(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)CCOCC1 ZINC001246032960 825629389 /nfs/dbraw/zinc/62/93/89/825629389.db2.gz ZZGSYYINLPRQSL-LBPRGKRZSA-N 2 1 255.362 -0.835 20 0 CBADMP CC(C)OC[C@@H](O)C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246048520 825629444 /nfs/dbraw/zinc/62/94/44/825629444.db2.gz YGRFLRBWCCSRNC-FXJUQPSGSA-N 2 1 258.362 -0.322 20 0 CBADMP O[C@H](C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1)CC1(O)CC[NH2+]CC1 ZINC001246062167 825631820 /nfs/dbraw/zinc/63/18/20/825631820.db2.gz XSWOTQQIECRSTK-QLFBSQMISA-N 3 1 297.443 -0.074 20 0 CBADMP O[C@H](C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1)CC1(O)CC[NH2+]CC1 ZINC001246062167 825631824 /nfs/dbraw/zinc/63/18/24/825631824.db2.gz XSWOTQQIECRSTK-QLFBSQMISA-N 3 1 297.443 -0.074 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H](C)C2)CN1 ZINC001246099117 825636284 /nfs/dbraw/zinc/63/62/84/825636284.db2.gz LNDWBQQIGVQIDT-RHYQMDGZSA-N 2 1 255.362 -0.275 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CN1 ZINC001246111961 825636587 /nfs/dbraw/zinc/63/65/87/825636587.db2.gz PSZAAHPPQSATQE-WHOHXGKFSA-N 2 1 255.362 -0.132 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CC[C@@H]2C)CN1 ZINC001246108535 825636633 /nfs/dbraw/zinc/63/66/33/825636633.db2.gz BVXTVCOOYSWQIR-WHOHXGKFSA-N 2 1 255.362 -0.275 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H](n2c[nH+]cc2CC[NH3+])CN1 ZINC001246101409 825636729 /nfs/dbraw/zinc/63/67/29/825636729.db2.gz LQNNPMSAJFUCFK-KOLCDFICSA-N 2 1 252.318 -0.150 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H](C)C2)CN1 ZINC001246099105 825636776 /nfs/dbraw/zinc/63/67/76/825636776.db2.gz LNDWBQQIGVQIDT-BJDJZHNGSA-N 2 1 255.362 -0.275 20 0 CBADMP O=S1(=O)CC[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001246125959 825637847 /nfs/dbraw/zinc/63/78/47/825637847.db2.gz KYPVGPAVLGTRDU-NEPJUHHUSA-N 2 1 287.429 -0.363 20 0 CBADMP C[C@@H]1CC[C@@H](NCc2cc(=O)n3c(n2)C[NH2+]CCC3)C[NH2+]1 ZINC001246134401 825639415 /nfs/dbraw/zinc/63/94/15/825639415.db2.gz UHPACGHHYGPUAY-VXGBXAGGSA-N 2 1 291.399 -0.033 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2noc3c2C[NH2+]CC3)CN1 ZINC001246132491 825639430 /nfs/dbraw/zinc/63/94/30/825639430.db2.gz DFUKBYDXIKTGGL-ONGXEEELSA-N 2 1 294.355 -0.297 20 0 CBADMP C(NC1C[C@@H]2COC[C@H](C1)[NH2+]2)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246145959 825640928 /nfs/dbraw/zinc/64/09/28/825640928.db2.gz MVZBKVYNUGHYRZ-AVOUXACISA-N 3 1 294.443 -0.030 20 0 CBADMP C[N@H+]1CCC[C@H](N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)CC1 ZINC001246147895 825641591 /nfs/dbraw/zinc/64/15/91/825641591.db2.gz MJGCJUZCCJTXQN-DMDPSCGWSA-N 2 1 252.362 -0.362 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CN1 ZINC001246145302 825641646 /nfs/dbraw/zinc/64/16/46/825641646.db2.gz MEDWIQIJWSWXFW-AVGNSLFASA-N 2 1 296.415 -0.646 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C)C2)CN1 ZINC001246178444 825645711 /nfs/dbraw/zinc/64/57/11/825645711.db2.gz XFTLPNIUBCLAMB-UTUOFQBUSA-N 2 1 255.362 -0.179 20 0 CBADMP F[C@]1(CN[C@@H]2CCNC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246180152 825646231 /nfs/dbraw/zinc/64/62/31/825646231.db2.gz PZQIJEBNDSWYIC-VXGBXAGGSA-N 2 1 256.369 -0.238 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CN1 ZINC001246183981 825646963 /nfs/dbraw/zinc/64/69/63/825646963.db2.gz YDEZPKHIRCLZLA-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CN1 ZINC001246183981 825646969 /nfs/dbraw/zinc/64/69/69/825646969.db2.gz YDEZPKHIRCLZLA-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP CCOC(=O)CNC(=O)C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246211026 825650589 /nfs/dbraw/zinc/65/05/89/825650589.db2.gz ICLCXPFAPIWMGF-VHSXEESVSA-N 2 1 257.334 -0.604 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246206390 825650676 /nfs/dbraw/zinc/65/06/76/825650676.db2.gz ZMPGFMXKAQGUJQ-NEPJUHHUSA-N 3 1 284.404 -0.659 20 0 CBADMP FC1(F)CNCC[C@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246207698 825650731 /nfs/dbraw/zinc/65/07/31/825650731.db2.gz AUDSLZRPXUSTFY-VHSXEESVSA-N 2 1 260.332 -0.333 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246215355 825651692 /nfs/dbraw/zinc/65/16/92/825651692.db2.gz SPIYJIXRQHAVNE-VWYCJHECSA-N 3 1 285.392 -0.479 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246212437 825651885 /nfs/dbraw/zinc/65/18/85/825651885.db2.gz LYXYXCNDCFJPQG-VWYCJHECSA-N 3 1 285.392 -0.479 20 0 CBADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246225271 825653032 /nfs/dbraw/zinc/65/30/32/825653032.db2.gz BIHVPZHNWYLCJN-WDEREUQCSA-N 3 1 274.359 -0.085 20 0 CBADMP [NH3+][C@H]1CCc2nn([C@@H]3CC[NH2+]C4(CNC4)C3)cc2C1 ZINC001246241208 825655395 /nfs/dbraw/zinc/65/53/95/825655395.db2.gz YHVTZPWOSJSZGU-NWDGAFQWSA-N 2 1 261.373 -0.034 20 0 CBADMP CCOC(=O)CC1([NH2+][C@@H]2CSC3(C[NH2+]C3)C2)CNC1 ZINC001246248100 825656585 /nfs/dbraw/zinc/65/65/85/825656585.db2.gz IRXIUZWXMUKJKK-JTQLQIEISA-N 2 1 285.413 -0.281 20 0 CBADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC001246254452 825656858 /nfs/dbraw/zinc/65/68/58/825656858.db2.gz HNBRPWHRODUEHD-STQMWFEESA-N 3 1 268.405 -0.119 20 0 CBADMP O=C(N1CCC([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)CC1)C(F)(F)F ZINC001246299572 825661890 /nfs/dbraw/zinc/66/18/90/825661890.db2.gz MRIIXZFGHNUTSC-PSASIEDQSA-N 2 1 295.305 -0.290 20 0 CBADMP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001246302337 825662022 /nfs/dbraw/zinc/66/20/22/825662022.db2.gz DANOGJLWONNVQH-USZNOCQGSA-N 2 1 266.349 -0.673 20 0 CBADMP [NH3+]C[C@@]1(N[C@H]2CCNC3(C[NH2+]C3)C2)CN2CCC1CC2 ZINC001246322598 825664392 /nfs/dbraw/zinc/66/43/92/825664392.db2.gz BEBBMPFIJASXPJ-DZGCQCFKSA-N 2 1 279.432 -0.907 20 0 CBADMP CO[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246346165 825666484 /nfs/dbraw/zinc/66/64/84/825666484.db2.gz FERHLAFLPDNKKI-GRYCIOLGSA-N 2 1 254.378 -0.953 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC[NH2+]1 ZINC001246353148 825667574 /nfs/dbraw/zinc/66/75/74/825667574.db2.gz UQYLVZUCCCJBEN-NXEZZACHSA-N 3 1 260.342 -0.735 20 0 CBADMP CNC(=O)[C@H](CCCC[NH2+][C@H]1CCC[NH2+]C1)NC(C)=O ZINC001246412150 825671992 /nfs/dbraw/zinc/67/19/92/825671992.db2.gz XBJXEUPGSZJXFS-STQMWFEESA-N 2 1 284.404 -0.251 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CC23C[NH2+]C3)CN1 ZINC001246442307 825672858 /nfs/dbraw/zinc/67/28/58/825672858.db2.gz CVZCRNYCUCLMJK-OUAUKWLOSA-N 2 1 253.346 -0.378 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246445151 825674098 /nfs/dbraw/zinc/67/40/98/825674098.db2.gz MYIJZGGVKIRXIG-GHMZBOCLSA-N 2 1 253.346 -0.425 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246445152 825674236 /nfs/dbraw/zinc/67/42/36/825674236.db2.gz MYIJZGGVKIRXIG-MNOVXSKESA-N 2 1 253.346 -0.425 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N[C@@H]2C[NH2+]CC[C@H]2F)C[NH2+]1 ZINC001246491551 825677358 /nfs/dbraw/zinc/67/73/58/825677358.db2.gz SYOLDLIJMIOLOS-PRULPYPASA-N 2 1 273.352 -0.040 20 0 CBADMP CCN(CC)CCNC(=[NH2+])N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246495311 825677671 /nfs/dbraw/zinc/67/76/71/825677671.db2.gz ODJPFHDVYZLRFZ-GFCCVEGCSA-N 2 1 282.436 -0.464 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@@H](N2CCC[NH2+]CC2)C[NH2+]1 ZINC001246522189 825679643 /nfs/dbraw/zinc/67/96/43/825679643.db2.gz AIZDYVNRUZVLFH-YPMHNXCESA-N 2 1 255.362 -0.035 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246542315 825683034 /nfs/dbraw/zinc/68/30/34/825683034.db2.gz JWRDBNPKSSBNMP-GMXVVIOVSA-N 2 1 271.361 -0.934 20 0 CBADMP CN(C[C@@H]1C[NH2+]CCO1)[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246547444 825683380 /nfs/dbraw/zinc/68/33/80/825683380.db2.gz IGKPQQBWEFBDRL-AGIUHOORSA-N 2 1 299.415 -0.021 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@@H](C)CC[C@H]2C[NH3+])C[NH2+]1 ZINC001246555273 825684171 /nfs/dbraw/zinc/68/41/71/825684171.db2.gz GFHFOVLZQQLLJI-BJDJZHNGSA-N 2 1 255.362 -0.051 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CN1 ZINC001246556244 825685023 /nfs/dbraw/zinc/68/50/23/825685023.db2.gz FASVCIKBCSFUAO-VNHYZAJKSA-N 2 1 299.415 -0.154 20 0 CBADMP CC(=O)N1CC[C@@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246561685 825685774 /nfs/dbraw/zinc/68/57/74/825685774.db2.gz SBMZZRKOOPRETC-OLZOCXBDSA-N 2 1 255.362 -0.217 20 0 CBADMP CC(=O)N1CC[C@@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246561685 825685776 /nfs/dbraw/zinc/68/57/76/825685776.db2.gz SBMZZRKOOPRETC-OLZOCXBDSA-N 2 1 255.362 -0.217 20 0 CBADMP [NH3+]C[C@]1(O)CCCC[N@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246560007 825685863 /nfs/dbraw/zinc/68/58/63/825685863.db2.gz ORUIRXLNCKNOFQ-CHWSQXEVSA-N 3 1 269.389 -0.317 20 0 CBADMP NC[C@]1(O)CCCC[N@@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246560007 825685868 /nfs/dbraw/zinc/68/58/68/825685868.db2.gz ORUIRXLNCKNOFQ-CHWSQXEVSA-N 2 1 269.389 -0.317 20 0 CBADMP NC[C@]1(O)CCCC[N@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246560007 825685872 /nfs/dbraw/zinc/68/58/72/825685872.db2.gz ORUIRXLNCKNOFQ-CHWSQXEVSA-N 2 1 269.389 -0.317 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2CCCC[C@](O)(C[NH3+])C2)C[NH2+]1 ZINC001246559866 825686488 /nfs/dbraw/zinc/68/64/88/825686488.db2.gz OGDZHNIUQTUHIW-LOWVWBTDSA-N 2 1 271.361 -0.934 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2CC[C@@H]([NH3+])[C@@H](F)CC2)C[NH2+]1 ZINC001246568590 825687256 /nfs/dbraw/zinc/68/72/56/825687256.db2.gz AHRKEUQNISUQHZ-UKKRHICBSA-N 2 1 259.325 -0.349 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC[C@H](C[NH3+])[C@@H]2C)C[NH2+]1 ZINC001246567333 825688234 /nfs/dbraw/zinc/68/82/34/825688234.db2.gz XISZLVPKJCOVPS-USZNOCQGSA-N 2 1 255.362 -0.051 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCN[C@@H](C(F)(F)F)C2)C[C@H]1O ZINC001246578645 825688467 /nfs/dbraw/zinc/68/84/67/825688467.db2.gz GWDRFIFFBDSFBG-SGIHWFKDSA-N 2 1 267.295 -0.079 20 0 CBADMP O[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1F ZINC001246575904 825689625 /nfs/dbraw/zinc/68/96/25/825689625.db2.gz LOTIRDCEFSEJBV-IJLUTSLNSA-N 2 1 257.353 -0.125 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCN[C@H](C(F)(F)F)C2)C[C@@H]1O ZINC001246582546 825690451 /nfs/dbraw/zinc/69/04/51/825690451.db2.gz GWDRFIFFBDSFBG-XKNYDFJKSA-N 2 1 267.295 -0.079 20 0 CBADMP N[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1F ZINC001246583642 825690746 /nfs/dbraw/zinc/69/07/46/825690746.db2.gz IAQUDPJZUUMNNR-QJPTWQEYSA-N 2 1 256.369 -0.158 20 0 CBADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1F ZINC001246583642 825690749 /nfs/dbraw/zinc/69/07/49/825690749.db2.gz IAQUDPJZUUMNNR-QJPTWQEYSA-N 3 1 256.369 -0.158 20 0 CBADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1F ZINC001246583642 825690757 /nfs/dbraw/zinc/69/07/57/825690757.db2.gz IAQUDPJZUUMNNR-QJPTWQEYSA-N 3 1 256.369 -0.158 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C2CCN(C(=O)C(F)(F)F)CC2)C[C@@H]1O ZINC001246582491 825691093 /nfs/dbraw/zinc/69/10/93/825691093.db2.gz ZNCPQRVBCULMBB-WPRPVWTQSA-N 2 1 295.305 -0.209 20 0 CBADMP N[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246585934 825691559 /nfs/dbraw/zinc/69/15/59/825691559.db2.gz YTBNAHXCCUHKIH-NXEZZACHSA-N 2 1 260.332 -0.251 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CN1 ZINC001246592562 825692185 /nfs/dbraw/zinc/69/21/85/825692185.db2.gz KJTGGPJBLMIHSQ-IJLUTSLNSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CN1 ZINC001246592562 825692187 /nfs/dbraw/zinc/69/21/87/825692187.db2.gz KJTGGPJBLMIHSQ-IJLUTSLNSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@H]1C[C@@H](N2CCCC[C@H](C[NH3+])C2)C[NH2+]1 ZINC001246592562 825692189 /nfs/dbraw/zinc/69/21/89/825692189.db2.gz KJTGGPJBLMIHSQ-IJLUTSLNSA-N 2 1 255.362 -0.049 20 0 CBADMP COC[C@H]1CNCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246590941 825692520 /nfs/dbraw/zinc/69/25/20/825692520.db2.gz BGBMHLPZRMNCJU-VXGBXAGGSA-N 2 1 254.378 -0.999 20 0 CBADMP COC[C@H]1CNCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246590941 825692529 /nfs/dbraw/zinc/69/25/29/825692529.db2.gz BGBMHLPZRMNCJU-VXGBXAGGSA-N 2 1 254.378 -0.999 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2CC(C)(C[NH3+])C2)C[NH2+]1 ZINC001246591046 825692587 /nfs/dbraw/zinc/69/25/87/825692587.db2.gz VFQGLFFQKAXUPS-GXFFZTMASA-N 2 1 255.362 -0.049 20 0 CBADMP CCOC(=O)[C@@]12C[N@H+]([C@H]3CNC(=O)C3)C[C@@H]1C[NH2+]CCC2 ZINC001246599994 825693518 /nfs/dbraw/zinc/69/35/18/825693518.db2.gz CFUFJGLRJFDJQT-ZOWXZIJZSA-N 2 1 295.383 -0.260 20 0 CBADMP Cc1nc(CC[N@H+](C)[C@@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246598359 825694033 /nfs/dbraw/zinc/69/40/33/825694033.db2.gz OAKYFISBUOWUDF-LLVKDONJSA-N 2 1 265.361 -0.054 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCOCC3(CC[NH2+]CC3)C1)CCN2 ZINC001246614768 825695058 /nfs/dbraw/zinc/69/50/58/825695058.db2.gz QBHKFZZBUCGOFE-CQSZACIVSA-N 3 1 294.443 -0.218 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCOC3(CC[NH2+]CC3)C1)CCN2 ZINC001246608705 825695464 /nfs/dbraw/zinc/69/54/64/825695464.db2.gz YEJCCHXBYLMCLB-ZDUSSCGKSA-N 3 1 280.416 -0.465 20 0 CBADMP C1C[N@@H+](C2C[C@@H]3COC[C@H](C2)N3)[C@H]2CC[NH2+]CC[C@@H]2N1 ZINC001246618631 825695754 /nfs/dbraw/zinc/69/57/54/825695754.db2.gz NBSXOFRVZQKZBW-AWQNUYMJSA-N 2 1 280.416 -0.468 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCN[C@H]3CC[NH2+]CC[C@@H]31)CCO2 ZINC001246618033 825695950 /nfs/dbraw/zinc/69/59/50/825695950.db2.gz JMKBWNDYGRQWSN-IHRRRGAJSA-N 3 1 280.416 -0.467 20 0 CBADMP C1[NH2+]CC12C[C@H](N1CC[NH2+]C[C@@]13CC[NH2+]C3)CCO2 ZINC001246623719 825696376 /nfs/dbraw/zinc/69/63/76/825696376.db2.gz KJBOSDFTVRUDSV-OLZOCXBDSA-N 3 1 266.389 -0.855 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC[C@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246631169 825697891 /nfs/dbraw/zinc/69/78/91/825697891.db2.gz RDZRYQKAKWXMRR-SGMGOOAPSA-N 2 1 267.373 -0.035 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)CN1 ZINC001246630956 825698275 /nfs/dbraw/zinc/69/82/75/825698275.db2.gz QECBUZCMWUXMJX-VNHYZAJKSA-N 2 1 296.415 -0.693 20 0 CBADMP C1[NH2+]CC12C[C@H](N1CCNC[C@]3(CCCC[NH2+]3)C1)CCO2 ZINC001246628890 825698301 /nfs/dbraw/zinc/69/83/01/825698301.db2.gz MJAKXKOAWJWETK-HUUCEWRRSA-N 2 1 294.443 -0.075 20 0 CBADMP O=S1(=O)CCC(N2CC[NH2+]C[C@]23CC[NH2+]C3)CC1 ZINC001246628155 825698304 /nfs/dbraw/zinc/69/83/04/825698304.db2.gz XSTMAIJPKREFRL-GFCCVEGCSA-N 2 1 273.402 -0.799 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CN1 ZINC001246631067 825698386 /nfs/dbraw/zinc/69/83/86/825698386.db2.gz ONANYCMMXORZPQ-DYEKYZERSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)CN1 ZINC001246631067 825698389 /nfs/dbraw/zinc/69/83/89/825698389.db2.gz ONANYCMMXORZPQ-DYEKYZERSA-N 2 1 267.373 -0.035 20 0 CBADMP C1[NH2+]CC12C[C@@H](N1CCNC[C@@]3(CCCC[NH2+]3)C1)CCO2 ZINC001246628888 825698418 /nfs/dbraw/zinc/69/84/18/825698418.db2.gz MJAKXKOAWJWETK-GJZGRUSLSA-N 2 1 294.443 -0.075 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[NH2+]1 ZINC001246634993 825699186 /nfs/dbraw/zinc/69/91/86/825699186.db2.gz IRAYVKJVPQBJBU-WHOHXGKFSA-N 2 1 253.346 -0.426 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N2CCN[C@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246633882 825699664 /nfs/dbraw/zinc/69/96/64/825699664.db2.gz FXQZZIUFFRYIHX-VHDGCEQUSA-N 2 1 296.415 -0.693 20 0 CBADMP COC(=O)N1CCC([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246640277 825700444 /nfs/dbraw/zinc/70/04/44/825700444.db2.gz FKZQKLVFBANXAT-AWEZNQCLSA-N 2 1 282.388 -0.146 20 0 CBADMP COC(=O)N1CCC([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246640277 825700448 /nfs/dbraw/zinc/70/04/48/825700448.db2.gz FKZQKLVFBANXAT-AWEZNQCLSA-N 2 1 282.388 -0.146 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCOC[C@@]3(CCC[NH2+]C3)C2)C[NH2+]1 ZINC001246644813 825700735 /nfs/dbraw/zinc/70/07/35/825700735.db2.gz JFPXIUHRGLGBEA-VNHYZAJKSA-N 2 1 297.399 -0.408 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246641988 825700831 /nfs/dbraw/zinc/70/08/31/825700831.db2.gz KMDFFRVMKKEEQP-BZPMIXESSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246641988 825700833 /nfs/dbraw/zinc/70/08/33/825700833.db2.gz KMDFFRVMKKEEQP-BZPMIXESSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCOCC23CC[NH2+]CC3)C[NH2+]1 ZINC001246642821 825701030 /nfs/dbraw/zinc/70/10/30/825701030.db2.gz KJNQVMAIAIVGPY-RYUDHWBXSA-N 2 1 283.372 -0.656 20 0 CBADMP COC(=O)[C@@]12COC[C@@H]1C[N@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246642670 825701585 /nfs/dbraw/zinc/70/15/85/825701585.db2.gz MVDUKSFAHWEYMA-GVXVVHGQSA-N 2 1 254.330 -0.140 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246646671 825702214 /nfs/dbraw/zinc/70/22/14/825702214.db2.gz XDABKEGCLFDMTL-HIFRSBDPSA-N 2 1 296.415 -0.739 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC[C@@]3(C[NH2+]CCO3)C2)C[NH2+]1 ZINC001246647170 825702356 /nfs/dbraw/zinc/70/23/56/825702356.db2.gz HYMBVQWOOBDJKM-SGMGOOAPSA-N 2 1 283.372 -0.656 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246645895 825702612 /nfs/dbraw/zinc/70/26/12/825702612.db2.gz CZVGFPIHUDYZDI-FRRDWIJNSA-N 3 1 250.390 -0.378 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246645895 825702620 /nfs/dbraw/zinc/70/26/20/825702620.db2.gz CZVGFPIHUDYZDI-FRRDWIJNSA-N 3 1 250.390 -0.378 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[NH2+]1 ZINC001246649213 825702901 /nfs/dbraw/zinc/70/29/01/825702901.db2.gz WMRKCEGXZVQYFK-RHYQMDGZSA-N 2 1 253.346 -0.569 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@@H]3OCCN[C@H]3C1)CCN2 ZINC001246654867 825704222 /nfs/dbraw/zinc/70/42/22/825704222.db2.gz GDDUJBUZVURMTD-AGIUHOORSA-N 2 1 266.389 -0.857 20 0 CBADMP C1[NH2+]CC12C[C@H](N1CC[C@@H]3OCC[NH2+][C@H]3C1)CCN2 ZINC001246654867 825704228 /nfs/dbraw/zinc/70/42/28/825704228.db2.gz GDDUJBUZVURMTD-AGIUHOORSA-N 2 1 266.389 -0.857 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1C[C@H]3CCC[NH2+][C@H]3C1)CCN2 ZINC001246660517 825704243 /nfs/dbraw/zinc/70/42/43/825704243.db2.gz UTKHJMHRVQNKBF-UPJWGTAASA-N 3 1 250.390 -0.236 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@@H+]1C[C@H]3CCCN[C@H]3C1)CCN2 ZINC001246660517 825704249 /nfs/dbraw/zinc/70/42/49/825704249.db2.gz UTKHJMHRVQNKBF-UPJWGTAASA-N 2 1 250.390 -0.236 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1C[C@H]3CCCN[C@H]3C1)CCN2 ZINC001246660517 825704255 /nfs/dbraw/zinc/70/42/55/825704255.db2.gz UTKHJMHRVQNKBF-UPJWGTAASA-N 2 1 250.390 -0.236 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C3C[NH2+]C3)C2)CN1 ZINC001246681004 825706133 /nfs/dbraw/zinc/70/61/33/825706133.db2.gz ZABFCWGYAYHADQ-UHTWSYAYSA-N 2 1 267.373 -0.179 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@H](C3C[NH2+]C3)C2)CN1 ZINC001246680248 825706376 /nfs/dbraw/zinc/70/63/76/825706376.db2.gz SQLGFHXCZYPIIZ-DLOVCJGASA-N 2 1 253.346 -0.569 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+][C@H](C(C)C)C2)C[NH2+]1 ZINC001246685137 825706790 /nfs/dbraw/zinc/70/67/90/825706790.db2.gz IJXPUIOBCQAEPL-WOPDTQHZSA-N 2 1 255.362 -0.180 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2CC[NH2+][C@H](C(C)C)C2)C[NH2+]1 ZINC001246685134 825706927 /nfs/dbraw/zinc/70/69/27/825706927.db2.gz IJXPUIOBCQAEPL-TUAOUCFPSA-N 2 1 255.362 -0.180 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2C(C)C)C[NH2+]1 ZINC001246698035 825707535 /nfs/dbraw/zinc/70/75/35/825707535.db2.gz UTSJBIYHWHHWAF-SRVKXCTJSA-N 2 1 255.362 -0.180 20 0 CBADMP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2C2CC[NH2+]CC2)O1 ZINC001246704505 825707548 /nfs/dbraw/zinc/70/75/48/825707548.db2.gz WDPCAKXXZGWUQR-MCIONIFRSA-N 2 1 297.399 -0.267 20 0 CBADMP CNC(=O)CN1CCO[C@H]2C[N@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C[C@H]21 ZINC001246730388 825707671 /nfs/dbraw/zinc/70/76/71/825707671.db2.gz KGBNYCFEIWTTDZ-DGAVXFQQSA-N 2 1 296.415 -0.742 20 0 CBADMP CCN1CCO[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246756782 825708679 /nfs/dbraw/zinc/70/86/79/825708679.db2.gz XRUMTVWPFVAVBN-SOUVJXGZSA-N 2 1 294.443 -0.267 20 0 CBADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246756782 825708689 /nfs/dbraw/zinc/70/86/89/825708689.db2.gz XRUMTVWPFVAVBN-SOUVJXGZSA-N 3 1 294.443 -0.267 20 0 CBADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246756782 825708699 /nfs/dbraw/zinc/70/86/99/825708699.db2.gz XRUMTVWPFVAVBN-SOUVJXGZSA-N 3 1 294.443 -0.267 20 0 CBADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246756782 825708706 /nfs/dbraw/zinc/70/87/06/825708706.db2.gz XRUMTVWPFVAVBN-SOUVJXGZSA-N 3 1 294.443 -0.267 20 0 CBADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246756782 825708713 /nfs/dbraw/zinc/70/87/13/825708713.db2.gz XRUMTVWPFVAVBN-SOUVJXGZSA-N 3 1 294.443 -0.267 20 0 CBADMP COC[C@]12COC[C@H]1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246744984 825709227 /nfs/dbraw/zinc/70/92/27/825709227.db2.gz DXLQDMUNYHKISO-HZSPNIEDSA-N 2 1 281.400 -0.325 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C[NH3+])C2)CN1 ZINC001246779691 825710454 /nfs/dbraw/zinc/71/04/54/825710454.db2.gz IOJSCPRYMSYADB-SRVKXCTJSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCCC3(C[NH2+]C3)C2)C[NH2+]1 ZINC001246789094 825710911 /nfs/dbraw/zinc/71/09/11/825710911.db2.gz BCLRMBABEWUAPH-MNOVXSKESA-N 2 1 253.346 -0.425 20 0 CBADMP NC(=O)[C@H]1CCCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246794041 825711529 /nfs/dbraw/zinc/71/15/29/825711529.db2.gz WFRAMQULKNTNRM-GHMZBOCLSA-N 2 1 252.362 -0.580 20 0 CBADMP CS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246796579 825711550 /nfs/dbraw/zinc/71/15/50/825711550.db2.gz MJIPSLYHAXDDTB-QWRGUYRKSA-N 2 1 273.402 -0.801 20 0 CBADMP CN1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCC1=O ZINC001246794139 825712153 /nfs/dbraw/zinc/71/21/53/825712153.db2.gz GDQILFNJGNDTIG-LLVKDONJSA-N 2 1 252.362 -0.756 20 0 CBADMP CCOC(=O)CC[N@@H+](C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246814243 825714411 /nfs/dbraw/zinc/71/44/11/825714411.db2.gz ORRVXSJYSJSGSN-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP COC(=O)C[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246817447 825714711 /nfs/dbraw/zinc/71/47/11/825714711.db2.gz KVENWNAOMKHGHD-VXGBXAGGSA-N 2 1 283.372 -0.656 20 0 CBADMP C1CSC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246824595 825717056 /nfs/dbraw/zinc/71/70/56/825717056.db2.gz ZHXIORIRTYHGFV-ZDUSSCGKSA-N 2 1 272.462 -0.034 20 0 CBADMP C1CC([NH+]2CCNCC[NH2+]CCNCC2)CCO1 ZINC001246823764 825717503 /nfs/dbraw/zinc/71/75/03/825717503.db2.gz WIFLKTAGQBSYPN-UHFFFAOYSA-N 2 1 256.394 -0.750 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC3(C2)CCCC[NH2+]3)C[NH2+]1 ZINC001246831825 825718654 /nfs/dbraw/zinc/71/86/54/825718654.db2.gz FYYGWCALWNEOEZ-QWRGUYRKSA-N 2 1 253.346 -0.282 20 0 CBADMP COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246839029 825719002 /nfs/dbraw/zinc/71/90/02/825719002.db2.gz AGEKZMLXCPVZAB-WYUUTHIRSA-N 2 1 265.357 -0.569 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N(C)C[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246839155 825719196 /nfs/dbraw/zinc/71/91/96/825719196.db2.gz BIZPTMWSVXXQDK-UTUOFQBUSA-N 2 1 255.362 -0.179 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH+]2CC3(C2)CCC[NH2+]CC3)CN1 ZINC001246854660 825722182 /nfs/dbraw/zinc/72/21/82/825722182.db2.gz QFYSLZPVMKYRIR-RYUDHWBXSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC3(C2)CCC[NH2+]CC3)C[NH2+]1 ZINC001246854660 825722183 /nfs/dbraw/zinc/72/21/83/825722183.db2.gz QFYSLZPVMKYRIR-RYUDHWBXSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@H]1C(=O)N(C)CC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246855384 825722214 /nfs/dbraw/zinc/72/22/14/825722214.db2.gz XOPRVNYKLGRNKW-MNOVXSKESA-N 2 1 252.362 -0.757 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCOC[C@H]2C[NH+](C)C)C[NH2+]1 ZINC001246864232 825723841 /nfs/dbraw/zinc/72/38/41/825723841.db2.gz ROSGCXUKKSTMGO-UTUOFQBUSA-N 2 1 271.361 -0.848 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246863883 825724134 /nfs/dbraw/zinc/72/41/34/825724134.db2.gz ZJPXHEXJQOUYMQ-DPORPMIOSA-N 2 1 297.399 -0.471 20 0 CBADMP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246863883 825724140 /nfs/dbraw/zinc/72/41/40/825724140.db2.gz ZJPXHEXJQOUYMQ-DPORPMIOSA-N 2 1 297.399 -0.471 20 0 CBADMP CCN1CC[C@@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1=O ZINC001246859218 825724341 /nfs/dbraw/zinc/72/43/41/825724341.db2.gz KEFXCJPPWLKOQZ-JIROBOQZSA-N 2 1 267.373 -0.097 20 0 CBADMP CCN1CC[C@@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1=O ZINC001246859218 825724343 /nfs/dbraw/zinc/72/43/43/825724343.db2.gz KEFXCJPPWLKOQZ-JIROBOQZSA-N 2 1 267.373 -0.097 20 0 CBADMP CC(=O)N1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H](C)C1 ZINC001246860684 825724455 /nfs/dbraw/zinc/72/44/55/825724455.db2.gz WRCHCXLEHTZAGB-WCQYABFASA-N 2 1 266.389 -0.367 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N2CC[NH2+]C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246867008 825725601 /nfs/dbraw/zinc/72/56/01/825725601.db2.gz MENIBHJVEOPENU-UHIISALHSA-N 2 1 299.371 -0.883 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCN1C1C[C@@H]2COC[C@H](C1)[N@@H+]2C ZINC001246866955 825726219 /nfs/dbraw/zinc/72/62/19/825726219.db2.gz LMJNZHGDLAKRSE-WVMKXHBISA-N 2 1 283.372 -0.705 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCN1C1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001246866955 825726227 /nfs/dbraw/zinc/72/62/27/825726227.db2.gz LMJNZHGDLAKRSE-WVMKXHBISA-N 2 1 283.372 -0.705 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC(O)([C@@H]3CCCC[NH2+]3)C2)C[NH2+]1 ZINC001246901472 825728704 /nfs/dbraw/zinc/72/87/04/825728704.db2.gz YBCZUOFZJMRSEU-SRVKXCTJSA-N 2 1 283.372 -0.921 20 0 CBADMP COC(=O)[C@H]1C[C@@H](N(C)[C@@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246914606 825731646 /nfs/dbraw/zinc/73/16/46/825731646.db2.gz SWFKNUIIXGDPOU-WZRBSPASSA-N 2 1 255.362 -0.036 20 0 CBADMP COCCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)[C@H]1CC[NH2+]C1 ZINC001246929395 825732893 /nfs/dbraw/zinc/73/28/93/825732893.db2.gz ODCJARZNELWAOD-TUAOUCFPSA-N 2 1 271.361 -0.800 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CN1 ZINC001246929857 825733227 /nfs/dbraw/zinc/73/32/27/825733227.db2.gz HLGJXIFZKAZSMQ-YVECIDJPSA-N 2 1 267.373 -0.179 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C)CCN1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246947092 825735901 /nfs/dbraw/zinc/73/59/01/825735901.db2.gz UVIGUAIVAGXZPW-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C)CCN1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246947092 825735904 /nfs/dbraw/zinc/73/59/04/825735904.db2.gz UVIGUAIVAGXZPW-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C)CCN1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246945147 825736512 /nfs/dbraw/zinc/73/65/12/825736512.db2.gz JVQYOOVNHHMOKO-SRVKXCTJSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C)CCN1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246945147 825736518 /nfs/dbraw/zinc/73/65/18/825736518.db2.gz JVQYOOVNHHMOKO-SRVKXCTJSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@](C)(C[NH3+])C2)CN1 ZINC001246967338 825736789 /nfs/dbraw/zinc/73/67/89/825736789.db2.gz NSXGLLAHICFOEJ-MDZLAQPJSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@](C)(C[NH3+])C2)CN1 ZINC001246967338 825736793 /nfs/dbraw/zinc/73/67/93/825736793.db2.gz NSXGLLAHICFOEJ-MDZLAQPJSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N(C2CC2)[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC001246965380 825736816 /nfs/dbraw/zinc/73/68/16/825736816.db2.gz HIJJPMJDBBGKIC-UTUOFQBUSA-N 2 1 253.346 -0.284 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCO[C@H](C[NH+]3CCCC3)C2)C[NH2+]1 ZINC001246980080 825737148 /nfs/dbraw/zinc/73/71/48/825737148.db2.gz QUKLPLUGDBGJTB-MJBXVCDLSA-N 2 1 297.399 -0.314 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N(C2CC2)[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC001246965382 825737629 /nfs/dbraw/zinc/73/76/29/825737629.db2.gz HIJJPMJDBBGKIC-WOPDTQHZSA-N 2 1 253.346 -0.284 20 0 CBADMP CC[NH+]1C[C@@H]2CN([C@H]3C[NH2+][C@H](C(=O)OC)C3)C[C@H]2C1 ZINC001246980188 825737889 /nfs/dbraw/zinc/73/78/89/825737889.db2.gz PYBAABLTAIKNNE-LPWJVIDDSA-N 2 1 267.373 -0.227 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N(CC[NH+](C)C)C2CC[NH2+]CC2)C[NH2+]1 ZINC001246984518 825739294 /nfs/dbraw/zinc/73/92/94/825739294.db2.gz IRTQHHIFEUYPDR-KBPBESRZSA-N 3 1 298.431 -0.495 20 0 CBADMP CC[N@H+]1C[C@H]2CN([C@H]3C[NH2+][C@H](C(=O)OC)C3)C[C@H]2C1 ZINC001246980191 825739900 /nfs/dbraw/zinc/73/99/00/825739900.db2.gz PYBAABLTAIKNNE-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP CC[N@@H+]1C[C@H]2CN([C@H]3C[NH2+][C@H](C(=O)OC)C3)C[C@H]2C1 ZINC001246980191 825739906 /nfs/dbraw/zinc/73/99/06/825739906.db2.gz PYBAABLTAIKNNE-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C[NH2+]1 ZINC001247012205 825742015 /nfs/dbraw/zinc/74/20/15/825742015.db2.gz CVKSTOJWCTZVCG-VOAKCMCISA-N 2 1 267.373 -0.036 20 0 CBADMP C[NH+](C)CCNC(=S)NCC[N@H+]1CCC[C@H](O)C1 ZINC001249849654 825750975 /nfs/dbraw/zinc/75/09/75/825750975.db2.gz PFAIZQHOGKVLOB-NSHDSACASA-N 2 1 274.434 -0.531 20 0 CBADMP CC(C)OC[C@@H](O)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001252676859 825881687 /nfs/dbraw/zinc/88/16/87/825881687.db2.gz ZBHUTARPGVGYNX-AWEZNQCLSA-N 2 1 273.421 -0.049 20 0 CBADMP CC(C)OC[C@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001252692919 825883386 /nfs/dbraw/zinc/88/33/86/825883386.db2.gz GPZONWROJZJREF-CYBMUJFWSA-N 2 1 278.393 -0.961 20 0 CBADMP CCC[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001252803894 825888315 /nfs/dbraw/zinc/88/83/15/825888315.db2.gz FAFBVCIEDKRACP-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@H+](CCO)CCC[NH2+]C[C@@H](O)C(=O)OC(C)(C)C ZINC001253713573 825928859 /nfs/dbraw/zinc/92/88/59/825928859.db2.gz FTMZGQFHHPJZDH-LLVKDONJSA-N 2 1 276.377 -0.407 20 0 CBADMP C[N@@H+](CCO)CCC[NH2+]C[C@@H](O)C(=O)OC(C)(C)C ZINC001253713573 825928865 /nfs/dbraw/zinc/92/88/65/825928865.db2.gz FTMZGQFHHPJZDH-LLVKDONJSA-N 2 1 276.377 -0.407 20 0 CBADMP CC[NH+](CC)C[C@H](O)CN1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001253192103 825904656 /nfs/dbraw/zinc/90/46/56/825904656.db2.gz JQKVMHWDGWVXGH-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+](CC)C[C@H](O)CN1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001253192103 825904658 /nfs/dbraw/zinc/90/46/58/825904658.db2.gz JQKVMHWDGWVXGH-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[NH2+]CCN1C(=O)C=CC1=O ZINC001253206057 825905079 /nfs/dbraw/zinc/90/50/79/825905079.db2.gz KGGMKDPAWNMUOS-NSHDSACASA-N 2 1 269.345 -0.796 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CCN(C2COC2)C1 ZINC001253206933 825906032 /nfs/dbraw/zinc/90/60/32/825906032.db2.gz UHZIWBIUXRHTAB-JSGCOSHPSA-N 2 1 271.405 -0.248 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[NH2+]CCN1CCOC[C@H]1C ZINC001253214952 825906499 /nfs/dbraw/zinc/90/64/99/825906499.db2.gz TYOISBKVMSEALL-ZIAGYGMSSA-N 2 1 273.421 -0.001 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1[C@H](O)CCC[C@@H]1O ZINC001253216100 825907081 /nfs/dbraw/zinc/90/70/81/825907081.db2.gz HTPAZVGUSZGFDK-WUHRBBMRSA-N 2 1 260.378 -0.447 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CNC(=O)C1(C)C ZINC001253217534 825907133 /nfs/dbraw/zinc/90/71/33/825907133.db2.gz YKWDNBKMEIRUJG-GHMZBOCLSA-N 2 1 257.378 -0.197 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001253394666 825911895 /nfs/dbraw/zinc/91/18/95/825911895.db2.gz QDXFPUFAKNJTKU-QJPTWQEYSA-N 2 1 269.389 -0.197 20 0 CBADMP C[N@H+]1CC[C@@H](N(C2CC[NH2+]CC2)S(C)(=O)=O)C1 ZINC001255432825 825982146 /nfs/dbraw/zinc/98/21/46/825982146.db2.gz UNWQSQMCEGXPHN-LLVKDONJSA-N 2 1 261.391 -0.296 20 0 CBADMP C[N@H+]1CC[C@H](N(C2CC[NH2+]CC2)S(C)(=O)=O)C1 ZINC001255432826 825983146 /nfs/dbraw/zinc/98/31/46/825983146.db2.gz UNWQSQMCEGXPHN-NSHDSACASA-N 2 1 261.391 -0.296 20 0 CBADMP COC[C@H](C)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC ZINC001255558101 825988209 /nfs/dbraw/zinc/98/82/09/825988209.db2.gz BEZLZUJHQWFORM-IUCAKERBSA-N 2 1 260.338 -0.584 20 0 CBADMP C[NH+]1CCC([NH2+]CCN2CCS(=O)(=O)CC2)CC1 ZINC001256200333 826003237 /nfs/dbraw/zinc/00/32/37/826003237.db2.gz RCFCGCJUXSAWNP-UHFFFAOYSA-N 2 1 275.418 -0.599 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001261383401 826508863 /nfs/dbraw/zinc/50/88/63/826508863.db2.gz KRDQINLLNRBCLH-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001261436043 826512986 /nfs/dbraw/zinc/51/29/86/826512986.db2.gz NWOOGWXZXJUKFL-ARFHVFGLSA-N 3 1 296.459 -0.189 20 0 CBADMP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001261457478 826516065 /nfs/dbraw/zinc/51/60/65/826516065.db2.gz LHYQELOTGIFXAP-GHMZBOCLSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001261457478 826516068 /nfs/dbraw/zinc/51/60/68/826516068.db2.gz LHYQELOTGIFXAP-GHMZBOCLSA-N 2 1 254.378 -0.382 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001261530424 826534402 /nfs/dbraw/zinc/53/44/02/826534402.db2.gz DCPNAJMLPDABLV-DGCLKSJQSA-N 2 1 268.405 -0.134 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(CC(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC001261853369 826598469 /nfs/dbraw/zinc/59/84/69/826598469.db2.gz FPQPQVUEHNITMG-OLZOCXBDSA-N 2 1 266.389 -0.556 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001262073560 826632976 /nfs/dbraw/zinc/63/29/76/826632976.db2.gz VTHOQRBJVNJSRY-TXEJJXNPSA-N 2 1 296.415 -0.217 20 0 CBADMP NS(=O)(=O)C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001262194999 826657365 /nfs/dbraw/zinc/65/73/65/826657365.db2.gz KUEFJQOLYPJUBE-QWRGUYRKSA-N 2 1 261.391 -0.404 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[NH2+]CC[NH2+]CC1 ZINC001262195199 826657682 /nfs/dbraw/zinc/65/76/82/826657682.db2.gz SIZDMCRCXRPHRP-OLZOCXBDSA-N 2 1 284.404 -0.835 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001262554281 826709040 /nfs/dbraw/zinc/70/90/40/826709040.db2.gz ZEKUDROPRBUTOO-UWVGGRQHSA-N 2 1 265.361 -0.040 20 0 CBADMP C[N@@H+]1CC=C(C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC001262567106 826710277 /nfs/dbraw/zinc/71/02/77/826710277.db2.gz JBXDSSCZHTVRSP-UONOGXRCSA-N 2 1 270.373 -0.260 20 0 CBADMP Cn1c[nH+]cc1CC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC001262564403 826710699 /nfs/dbraw/zinc/71/06/99/826710699.db2.gz HYRBWCMZALZXPH-CHWSQXEVSA-N 2 1 269.345 -0.545 20 0 CBADMP Cn1cc[nH+]c1N1CCC([NH2+]CCC(N)=O)CC1 ZINC001262572641 826711002 /nfs/dbraw/zinc/71/10/02/826711002.db2.gz ADGVTXTZPJACFI-UHFFFAOYSA-N 2 1 251.334 -0.146 20 0 CBADMP [NH3+]CCNCC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC001263097266 826736595 /nfs/dbraw/zinc/73/65/95/826736595.db2.gz QFGFQGZQDLDJLU-UHFFFAOYSA-N 2 1 282.413 -0.229 20 0 CBADMP [NH3+]CCNCC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC001263097266 826736600 /nfs/dbraw/zinc/73/66/00/826736600.db2.gz QFGFQGZQDLDJLU-UHFFFAOYSA-N 2 1 282.413 -0.229 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H](O)C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC001263095469 826736762 /nfs/dbraw/zinc/73/67/62/826736762.db2.gz MXOWNSDSXQCPFK-GRYCIOLGSA-N 2 1 257.378 -0.067 20 0 CBADMP C[C@H](CNC(=O)C[C@H](O)C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC001263095471 826736921 /nfs/dbraw/zinc/73/69/21/826736921.db2.gz MXOWNSDSXQCPFK-UTUOFQBUSA-N 2 1 257.378 -0.067 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001263102289 826738539 /nfs/dbraw/zinc/73/85/39/826738539.db2.gz QHVCUBZVESIZFK-AGIUHOORSA-N 2 1 269.389 -0.074 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC001263107896 826739445 /nfs/dbraw/zinc/73/94/45/826739445.db2.gz IUWFCZSMJYPCKB-HLTSFMKQSA-N 2 1 265.304 -0.732 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC001263203042 826753221 /nfs/dbraw/zinc/75/32/21/826753221.db2.gz RQVRKWORDQOWAW-AEJSXWLSSA-N 2 1 257.334 -0.524 20 0 CBADMP CSCC[C@H]([NH3+])C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001263245702 826757439 /nfs/dbraw/zinc/75/74/39/826757439.db2.gz RNQASJLJRYSKPJ-LBPRGKRZSA-N 2 1 288.461 -0.227 20 0 CBADMP CSCC[C@H]([NH3+])C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001263245702 826757443 /nfs/dbraw/zinc/75/74/43/826757443.db2.gz RNQASJLJRYSKPJ-LBPRGKRZSA-N 2 1 288.461 -0.227 20 0 CBADMP C[N@H+]1CCCC[C@H]1CNC(=O)C1(C[NH3+])CC(O)C1 ZINC001263274778 826761667 /nfs/dbraw/zinc/76/16/67/826761667.db2.gz LAHILPYXYZRFSR-ZBOXLXRLSA-N 2 1 255.362 -0.313 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001263809678 826779034 /nfs/dbraw/zinc/77/90/34/826779034.db2.gz NOOSTAZQGYRAFC-VXGBXAGGSA-N 2 1 257.378 -0.148 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001263810399 826780232 /nfs/dbraw/zinc/78/02/32/826780232.db2.gz WWCFWIJBKKNKAS-LBPRGKRZSA-N 2 1 269.389 -0.147 20 0 CBADMP CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001263821502 826780281 /nfs/dbraw/zinc/78/02/81/826780281.db2.gz UAQWOGSROHHREA-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCOCCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001263821502 826780285 /nfs/dbraw/zinc/78/02/85/826780285.db2.gz UAQWOGSROHHREA-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP CN(C[C@@H]1CC[NH+]1CCOCCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001263821502 826780287 /nfs/dbraw/zinc/78/02/87/826780287.db2.gz UAQWOGSROHHREA-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC(N)=O ZINC001264986301 826832133 /nfs/dbraw/zinc/83/21/33/826832133.db2.gz GGPKNQRVRZLROF-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC(N)=O ZINC001264986301 826832145 /nfs/dbraw/zinc/83/21/45/826832145.db2.gz GGPKNQRVRZLROF-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC(N)=O ZINC001264986301 826832152 /nfs/dbraw/zinc/83/21/52/826832152.db2.gz GGPKNQRVRZLROF-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001265021271 826835833 /nfs/dbraw/zinc/83/58/33/826835833.db2.gz KFAIUPMNZJNDRA-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001265021271 826835842 /nfs/dbraw/zinc/83/58/42/826835842.db2.gz KFAIUPMNZJNDRA-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001265021271 826835856 /nfs/dbraw/zinc/83/58/56/826835856.db2.gz KFAIUPMNZJNDRA-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCCNC(=O)C[NH+]2CCCC2)C1=O ZINC001265068220 826842661 /nfs/dbraw/zinc/84/26/61/826842661.db2.gz BDQMCJQVQYROEO-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001265350755 826884523 /nfs/dbraw/zinc/88/45/23/826884523.db2.gz XCQKCPXNNGHJLS-VXGBXAGGSA-N 2 1 255.362 -0.443 20 0 CBADMP CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001265349561 826885214 /nfs/dbraw/zinc/88/52/14/826885214.db2.gz FLPYMTRAQNMQEZ-NEPJUHHUSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001265349561 826885228 /nfs/dbraw/zinc/88/52/28/826885228.db2.gz FLPYMTRAQNMQEZ-NEPJUHHUSA-N 2 1 255.362 -0.179 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265531548 826901665 /nfs/dbraw/zinc/90/16/65/826901665.db2.gz NCXFPFGYIPCZDM-OUAUKWLOSA-N 2 1 268.361 -0.937 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CCOCCO ZINC001265790660 826919357 /nfs/dbraw/zinc/91/93/57/826919357.db2.gz QERYOEPHVCIKEQ-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001265852564 826930139 /nfs/dbraw/zinc/93/01/39/826930139.db2.gz FVYHGDLXTFBUIH-UWVGGRQHSA-N 2 1 258.366 -0.704 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH+](C)C[C@H](C)O)C1 ZINC001265975985 826944950 /nfs/dbraw/zinc/94/49/50/826944950.db2.gz JBBSYKZQZXIKHU-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH+](C)C[C@H](C)O)C1 ZINC001265975985 826944954 /nfs/dbraw/zinc/94/49/54/826944954.db2.gz JBBSYKZQZXIKHU-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCCC[N@H+](C)C[C@H](C)O)C1 ZINC001265975985 826944955 /nfs/dbraw/zinc/94/49/55/826944955.db2.gz JBBSYKZQZXIKHU-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCCC[N@@H+](C)C[C@H](C)O)C1 ZINC001265975985 826944957 /nfs/dbraw/zinc/94/49/57/826944957.db2.gz JBBSYKZQZXIKHU-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001266262885 826966537 /nfs/dbraw/zinc/96/65/37/826966537.db2.gz WBKYDQWUWCNEDR-WDEREUQCSA-N 2 1 268.361 -0.983 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001266262885 826966543 /nfs/dbraw/zinc/96/65/43/826966543.db2.gz WBKYDQWUWCNEDR-WDEREUQCSA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC001266262885 826966552 /nfs/dbraw/zinc/96/65/52/826966552.db2.gz WBKYDQWUWCNEDR-WDEREUQCSA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCNC1=O ZINC001266262885 826966558 /nfs/dbraw/zinc/96/65/58/826966558.db2.gz WBKYDQWUWCNEDR-WDEREUQCSA-N 2 1 268.361 -0.983 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266326681 826985215 /nfs/dbraw/zinc/98/52/15/826985215.db2.gz HGJURABSTFNHMI-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001266326681 826985217 /nfs/dbraw/zinc/98/52/17/826985217.db2.gz HGJURABSTFNHMI-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001266326681 826985223 /nfs/dbraw/zinc/98/52/23/826985223.db2.gz HGJURABSTFNHMI-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCCOC)C2)C1 ZINC001266358190 826989175 /nfs/dbraw/zinc/98/91/75/826989175.db2.gz AKLZAIIVWYSKOW-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCCOC)C2)C1 ZINC001266358190 826989180 /nfs/dbraw/zinc/98/91/80/826989180.db2.gz AKLZAIIVWYSKOW-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCCOC)C2)C1 ZINC001266358190 826989182 /nfs/dbraw/zinc/98/91/82/826989182.db2.gz AKLZAIIVWYSKOW-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCCOC)C2)C1 ZINC001266358190 826989187 /nfs/dbraw/zinc/98/91/87/826989187.db2.gz AKLZAIIVWYSKOW-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001266414514 826996581 /nfs/dbraw/zinc/99/65/81/826996581.db2.gz DIXKWKUNISJCEQ-OLZOCXBDSA-N 2 1 269.389 -0.053 20 0 CBADMP CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@H](C)O ZINC001266427889 826998684 /nfs/dbraw/zinc/99/86/84/826998684.db2.gz DTVVEMIXNJZUGE-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533391 827018182 /nfs/dbraw/zinc/01/81/82/827018182.db2.gz IXBZURNYFLLJNC-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](O)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001266584776 827027990 /nfs/dbraw/zinc/02/79/90/827027990.db2.gz MEOLTWDPJOKXME-XDQVBPFNSA-N 2 1 299.415 -0.285 20 0 CBADMP C[C@H](O)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001266584776 827027999 /nfs/dbraw/zinc/02/79/99/827027999.db2.gz MEOLTWDPJOKXME-XDQVBPFNSA-N 2 1 299.415 -0.285 20 0 CBADMP CN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001266660962 827042128 /nfs/dbraw/zinc/04/21/28/827042128.db2.gz YBTZIVYRKJXDPB-LBPRGKRZSA-N 2 1 282.388 -0.639 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001266803923 827068951 /nfs/dbraw/zinc/06/89/51/827068951.db2.gz WXSRHLLAMICGJB-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1nncn1C ZINC001266952599 827096533 /nfs/dbraw/zinc/09/65/33/827096533.db2.gz URCMLATYIORPOB-UHFFFAOYSA-N 2 1 282.392 -0.295 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+]Cc1nncn1C ZINC001266952599 827096543 /nfs/dbraw/zinc/09/65/43/827096543.db2.gz URCMLATYIORPOB-UHFFFAOYSA-N 2 1 282.392 -0.295 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+]CC(=O)NC ZINC001266952543 827096884 /nfs/dbraw/zinc/09/68/84/827096884.db2.gz SCLZWPCRMNXWPK-UHFFFAOYSA-N 2 1 258.366 -0.878 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001267004622 827106679 /nfs/dbraw/zinc/10/66/79/827106679.db2.gz FZWXDHVILDZFBW-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267072240 827112773 /nfs/dbraw/zinc/11/27/73/827112773.db2.gz WLTZFZWZOWTUJP-NSHDSACASA-N 2 1 270.377 -0.878 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H](C)[NH2+]CCCO)C1 ZINC001267154412 827119043 /nfs/dbraw/zinc/11/90/43/827119043.db2.gz CTJIYGJBQDMYOU-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H](C)[NH2+]CCCO)C1 ZINC001267154412 827119048 /nfs/dbraw/zinc/11/90/48/827119048.db2.gz CTJIYGJBQDMYOU-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1CCO ZINC001267282962 827142483 /nfs/dbraw/zinc/14/24/83/827142483.db2.gz ZESBKFBIHIEPNE-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001267282962 827142485 /nfs/dbraw/zinc/14/24/85/827142485.db2.gz ZESBKFBIHIEPNE-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CCO ZINC001267282962 827142480 /nfs/dbraw/zinc/14/24/80/827142480.db2.gz ZESBKFBIHIEPNE-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CCOCCC[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267359099 827158020 /nfs/dbraw/zinc/15/80/20/827158020.db2.gz AHQVHKXVBCUREP-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CCOCCC[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267359099 827158024 /nfs/dbraw/zinc/15/80/24/827158024.db2.gz AHQVHKXVBCUREP-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CN(CC[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267415496 827167429 /nfs/dbraw/zinc/16/74/29/827167429.db2.gz MELDILTUACXYJN-ZDUSSCGKSA-N 2 1 294.403 -0.153 20 0 CBADMP CN(CC[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001267415496 827167434 /nfs/dbraw/zinc/16/74/34/827167434.db2.gz MELDILTUACXYJN-ZDUSSCGKSA-N 2 1 294.403 -0.153 20 0 CBADMP CN(CC[NH2+]Cc1ncnn1C)C(=O)C1CC[NH+](C)CC1 ZINC001267422290 827168101 /nfs/dbraw/zinc/16/81/01/827168101.db2.gz IAMOWOXMYHDMIK-UHFFFAOYSA-N 2 1 294.403 -0.295 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1cn(C)nn1 ZINC001267451434 827173126 /nfs/dbraw/zinc/17/31/26/827173126.db2.gz DELDMERKBJCEPM-UHFFFAOYSA-N 2 1 282.392 -0.295 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+]Cc1cn(C)nn1 ZINC001267451434 827173129 /nfs/dbraw/zinc/17/31/29/827173129.db2.gz DELDMERKBJCEPM-UHFFFAOYSA-N 2 1 282.392 -0.295 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]C[C@@H](C)O)C1 ZINC001267471974 827175946 /nfs/dbraw/zinc/17/59/46/827175946.db2.gz YPBSWITUVCNANI-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]C[C@@H](C)O)C1 ZINC001267471974 827175952 /nfs/dbraw/zinc/17/59/52/827175952.db2.gz YPBSWITUVCNANI-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCCO)C1 ZINC001267732643 827209296 /nfs/dbraw/zinc/20/92/96/827209296.db2.gz YAMXAZBUBCVMCD-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001267732643 827209300 /nfs/dbraw/zinc/20/93/00/827209300.db2.gz YAMXAZBUBCVMCD-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001267732643 827209304 /nfs/dbraw/zinc/20/93/04/827209304.db2.gz YAMXAZBUBCVMCD-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CCOCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001267731868 827211352 /nfs/dbraw/zinc/21/13/52/827211352.db2.gz XANOSJVUPGKBJV-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP CCOCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001267731868 827211362 /nfs/dbraw/zinc/21/13/62/827211362.db2.gz XANOSJVUPGKBJV-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CCO)C1 ZINC001267779059 827219107 /nfs/dbraw/zinc/21/91/07/827219107.db2.gz MRVBTQOGBPDJIT-LBPRGKRZSA-N 2 1 257.378 -0.148 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](CCO)C1 ZINC001267779059 827219117 /nfs/dbraw/zinc/21/91/17/827219117.db2.gz MRVBTQOGBPDJIT-LBPRGKRZSA-N 2 1 257.378 -0.148 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001267779059 827219128 /nfs/dbraw/zinc/21/91/28/827219128.db2.gz MRVBTQOGBPDJIT-LBPRGKRZSA-N 2 1 257.378 -0.148 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCOCCO)C2)C1 ZINC001268151207 827258571 /nfs/dbraw/zinc/25/85/71/827258571.db2.gz PFNZFYGDFORMMB-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCOCCO)C2)C1 ZINC001268151207 827258575 /nfs/dbraw/zinc/25/85/75/827258575.db2.gz PFNZFYGDFORMMB-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCOCCO)C2)C1 ZINC001268151207 827258582 /nfs/dbraw/zinc/25/85/82/827258582.db2.gz PFNZFYGDFORMMB-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001268215585 827261428 /nfs/dbraw/zinc/26/14/28/827261428.db2.gz QDYCCKNUDPXTJT-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH2+]C[C@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268321245 827298155 /nfs/dbraw/zinc/29/81/55/827298155.db2.gz LYHCWKHVKSAGTA-NEPJUHHUSA-N 2 1 257.378 -0.195 20 0 CBADMP CCC[NH2+]C[C@H](O)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001268331395 827306932 /nfs/dbraw/zinc/30/69/32/827306932.db2.gz INMQJRFFVQRJLX-JSGCOSHPSA-N 2 1 269.389 -0.051 20 0 CBADMP CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268422357 827325453 /nfs/dbraw/zinc/32/54/53/827325453.db2.gz AMAOZEWVSBPTPJ-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CCN(CC[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268439369 827329715 /nfs/dbraw/zinc/32/97/15/827329715.db2.gz OHAFDKJEVYGRSM-ZDUSSCGKSA-N 2 1 294.403 -0.153 20 0 CBADMP CCN(CC[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001268439369 827329725 /nfs/dbraw/zinc/32/97/25/827329725.db2.gz OHAFDKJEVYGRSM-ZDUSSCGKSA-N 2 1 294.403 -0.153 20 0 CBADMP CCN(CC[NH2+]C[C@@H](C)OC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268442340 827331197 /nfs/dbraw/zinc/33/11/97/827331197.db2.gz BIMVWCLUYKPUQZ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CCN(CC[NH2+]C[C@@H](C)OC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268442340 827331208 /nfs/dbraw/zinc/33/12/08/827331208.db2.gz BIMVWCLUYKPUQZ-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC(C)[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268518942 827350948 /nfs/dbraw/zinc/35/09/48/827350948.db2.gz AYYYTJBNQVWADO-ITKZLYELSA-N 2 1 255.362 -0.013 20 0 CBADMP CC(C)[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268518942 827350955 /nfs/dbraw/zinc/35/09/55/827350955.db2.gz AYYYTJBNQVWADO-ITKZLYELSA-N 2 1 255.362 -0.013 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCO ZINC001268557732 827365977 /nfs/dbraw/zinc/36/59/77/827365977.db2.gz XSUHTUQVZBDFSS-PCAWENJQSA-N 2 1 255.362 -0.275 20 0 CBADMP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001268572569 827366902 /nfs/dbraw/zinc/36/69/02/827366902.db2.gz BPUOUVINAMTKPB-JQSFKPKSSA-N 2 1 296.415 -0.181 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC/C=C\C[NH2+]C[C@@H](C)O ZINC001268568808 827367549 /nfs/dbraw/zinc/36/75/49/827367549.db2.gz ZSBHJQJKEGAQHW-VSQXVHSFSA-N 2 1 266.345 -0.166 20 0 CBADMP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268574009 827367885 /nfs/dbraw/zinc/36/78/85/827367885.db2.gz HZTTZLWCBRFOBF-ZYOFXKKJSA-N 2 1 282.388 -0.569 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)Cn1c[nH+]cc1C ZINC001268568354 827368078 /nfs/dbraw/zinc/36/80/78/827368078.db2.gz RXRZCANVNOMPJP-RXNFCKPNSA-N 2 1 293.371 -0.412 20 0 CBADMP CC(C)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268628212 827382462 /nfs/dbraw/zinc/38/24/62/827382462.db2.gz ZQYOZJIMMIQQEH-IHVVCDCBSA-N 2 1 296.415 -0.275 20 0 CBADMP COCCC[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268786215 827422408 /nfs/dbraw/zinc/42/24/08/827422408.db2.gz NLZFCVSVMOALHM-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP COCCC[NH2+]CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268786215 827422412 /nfs/dbraw/zinc/42/24/12/827422412.db2.gz NLZFCVSVMOALHM-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CN(CCC[NH2+]CCCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268785981 827422557 /nfs/dbraw/zinc/42/25/57/827422557.db2.gz JUAFVMKYPLJSKZ-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CN(CCC[NH2+]CCCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268785981 827422562 /nfs/dbraw/zinc/42/25/62/827422562.db2.gz JUAFVMKYPLJSKZ-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CCC[NH2+]CC(N)=O ZINC001268869020 827434113 /nfs/dbraw/zinc/43/41/13/827434113.db2.gz OVUPLYUJTUWAKI-UHFFFAOYSA-N 2 1 295.387 -0.070 20 0 CBADMP C[C@@H]([NH2+]CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001268916167 827439013 /nfs/dbraw/zinc/43/90/13/827439013.db2.gz ZRRKYFYADBHHAZ-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCC[NH2+]CCO)C1 ZINC001268952741 827443711 /nfs/dbraw/zinc/44/37/11/827443711.db2.gz BKTJTAQFZGMXPN-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CCC[NH2+]CCO)C1 ZINC001268952741 827443718 /nfs/dbraw/zinc/44/37/18/827443718.db2.gz BKTJTAQFZGMXPN-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCO)C1CC1 ZINC001269051230 827456802 /nfs/dbraw/zinc/45/68/02/827456802.db2.gz PKTFBBQSGKHXMS-OLZOCXBDSA-N 2 1 269.389 -0.053 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)CC1 ZINC001269061554 827459484 /nfs/dbraw/zinc/45/94/84/827459484.db2.gz LMGNXWAIFKSKSR-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCF ZINC001269384216 827501381 /nfs/dbraw/zinc/50/13/81/827501381.db2.gz PPRQDSJXHVUNLI-GHMZBOCLSA-N 2 1 261.341 -0.229 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCF ZINC001269384216 827501389 /nfs/dbraw/zinc/50/13/89/827501389.db2.gz PPRQDSJXHVUNLI-GHMZBOCLSA-N 2 1 261.341 -0.229 20 0 CBADMP C[C@H](O)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001269489298 827514344 /nfs/dbraw/zinc/51/43/44/827514344.db2.gz MFHZGDZFDQGEFF-NEPJUHHUSA-N 2 1 269.389 -0.053 20 0 CBADMP CN1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001270701873 827590000 /nfs/dbraw/zinc/59/00/00/827590000.db2.gz AAHCXEUBXSCMJT-BETUJISGSA-N 2 1 266.389 -0.461 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001270701873 827590006 /nfs/dbraw/zinc/59/00/06/827590006.db2.gz AAHCXEUBXSCMJT-BETUJISGSA-N 2 1 266.389 -0.461 20 0 CBADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[NH+](C)CC1 ZINC001270702349 827590197 /nfs/dbraw/zinc/59/01/97/827590197.db2.gz LXYVXHCLZJKDKD-AGUYFDCRSA-N 2 1 280.416 -0.025 20 0 CBADMP C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC001270976385 827610922 /nfs/dbraw/zinc/61/09/22/827610922.db2.gz COVNXBOVUFFSMK-GFCCVEGCSA-N 2 1 267.373 -0.129 20 0 CBADMP C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC001270976385 827610930 /nfs/dbraw/zinc/61/09/30/827610930.db2.gz COVNXBOVUFFSMK-GFCCVEGCSA-N 2 1 267.373 -0.129 20 0 CBADMP CC[N@@H+](C)CC(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001271083673 827619968 /nfs/dbraw/zinc/61/99/68/827619968.db2.gz FSUQHUNEQJJVBY-KGLIPLIRSA-N 2 1 298.431 -0.589 20 0 CBADMP C[C@@H](C[NH2+]CCO)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001271172135 827672510 /nfs/dbraw/zinc/67/25/10/827672510.db2.gz WZFAZVGVVZXJFI-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001271221655 827678307 /nfs/dbraw/zinc/67/83/07/827678307.db2.gz YVTHBCQHAHQEJC-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001271221655 827678309 /nfs/dbraw/zinc/67/83/09/827678309.db2.gz YVTHBCQHAHQEJC-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271221655 827678312 /nfs/dbraw/zinc/67/83/12/827678312.db2.gz YVTHBCQHAHQEJC-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@H](C2)O3)C1 ZINC001271223921 827678848 /nfs/dbraw/zinc/67/88/48/827678848.db2.gz WIMIJVQMWQMFLR-UTUOFQBUSA-N 2 1 253.346 -0.521 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@H](C2)O3)C1 ZINC001271223921 827678852 /nfs/dbraw/zinc/67/88/52/827678852.db2.gz WIMIJVQMWQMFLR-UTUOFQBUSA-N 2 1 253.346 -0.521 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)C1 ZINC001271223921 827678857 /nfs/dbraw/zinc/67/88/57/827678857.db2.gz WIMIJVQMWQMFLR-UTUOFQBUSA-N 2 1 253.346 -0.521 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)C1 ZINC001271223921 827678864 /nfs/dbraw/zinc/67/88/64/827678864.db2.gz WIMIJVQMWQMFLR-UTUOFQBUSA-N 2 1 253.346 -0.521 20 0 CBADMP CCOCC[N@@H+](C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001271984871 827746197 /nfs/dbraw/zinc/74/61/97/827746197.db2.gz WWXLVRXOOGQVSU-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP CCOCC[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001271984871 827746204 /nfs/dbraw/zinc/74/62/04/827746204.db2.gz WWXLVRXOOGQVSU-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP CCOCC[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001271984871 827746206 /nfs/dbraw/zinc/74/62/06/827746206.db2.gz WWXLVRXOOGQVSU-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP CCOCC[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001271984871 827746224 /nfs/dbraw/zinc/74/62/24/827746224.db2.gz WWXLVRXOOGQVSU-CYBMUJFWSA-N 2 1 287.404 -0.256 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]C[C@@H]1CCOC1 ZINC001272224220 827771334 /nfs/dbraw/zinc/77/13/34/827771334.db2.gz BCPDVAXUSWHRQP-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP CCOCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001272380472 827788470 /nfs/dbraw/zinc/78/84/70/827788470.db2.gz NCGXCSGVGQIPGS-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP C[NH+](C)CCN1CC2(C[NH+](C[C@H]3CCOC3)C2)OCC1=O ZINC001272508097 827809457 /nfs/dbraw/zinc/80/94/57/827809457.db2.gz MAKHCYDXZSRFMC-CYBMUJFWSA-N 2 1 297.399 -0.502 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001272534778 827815236 /nfs/dbraw/zinc/81/52/36/827815236.db2.gz OMHYZVDJTWTBHH-HNNXBMFYSA-N 2 1 296.415 -0.297 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001272534778 827815238 /nfs/dbraw/zinc/81/52/38/827815238.db2.gz OMHYZVDJTWTBHH-HNNXBMFYSA-N 2 1 296.415 -0.297 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCCC2(C[NH+](C)C2)C1 ZINC001272555677 827819842 /nfs/dbraw/zinc/81/98/42/827819842.db2.gz QBFGJWTXKYRZGM-CYBMUJFWSA-N 2 1 280.416 -0.214 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC001272556214 827821100 /nfs/dbraw/zinc/82/11/00/827821100.db2.gz YSYUVTOOKWEMJA-XQQFMLRXSA-N 2 1 266.389 -0.605 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001272556214 827821109 /nfs/dbraw/zinc/82/11/09/827821109.db2.gz YSYUVTOOKWEMJA-XQQFMLRXSA-N 2 1 266.389 -0.605 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001272556214 827821119 /nfs/dbraw/zinc/82/11/19/827821119.db2.gz YSYUVTOOKWEMJA-XQQFMLRXSA-N 2 1 266.389 -0.605 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCF ZINC001272582929 827823591 /nfs/dbraw/zinc/82/35/91/827823591.db2.gz DFXZIXKUVRUAJN-VXGBXAGGSA-N 2 1 275.368 -0.103 20 0 CBADMP C[C@@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001272689157 827833753 /nfs/dbraw/zinc/83/37/53/827833753.db2.gz YCFIXOLRRNDOCH-QWRGUYRKSA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@H](CC[NH2+]CCCO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001272704942 827835018 /nfs/dbraw/zinc/83/50/18/827835018.db2.gz XFCWYULNKZIIPM-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@H](CC[NH2+]CCCO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001272704942 827835028 /nfs/dbraw/zinc/83/50/28/827835028.db2.gz XFCWYULNKZIIPM-VXGBXAGGSA-N 2 1 273.377 -0.816 20 0 CBADMP CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001272913516 827849213 /nfs/dbraw/zinc/84/92/13/827849213.db2.gz IEKXEBJIFUOBEV-LLVKDONJSA-N 2 1 295.387 -0.188 20 0 CBADMP CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001272913517 827850474 /nfs/dbraw/zinc/85/04/74/827850474.db2.gz IEKXEBJIFUOBEV-NSHDSACASA-N 2 1 295.387 -0.188 20 0 CBADMP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](O)C1)C2 ZINC001273069596 827860070 /nfs/dbraw/zinc/86/00/70/827860070.db2.gz LEWGVWKRKMEWGE-DZGCQCFKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](O)C1)C2 ZINC001273069596 827860072 /nfs/dbraw/zinc/86/00/72/827860072.db2.gz LEWGVWKRKMEWGE-DZGCQCFKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001273069596 827860074 /nfs/dbraw/zinc/86/00/74/827860074.db2.gz LEWGVWKRKMEWGE-DZGCQCFKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001273069596 827860078 /nfs/dbraw/zinc/86/00/78/827860078.db2.gz LEWGVWKRKMEWGE-DZGCQCFKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CC[C@H](O)C1)C2 ZINC001273070166 827861136 /nfs/dbraw/zinc/86/11/36/827861136.db2.gz UALTXLKPLSQYNE-WOPDTQHZSA-N 2 1 253.346 -0.785 20 0 CBADMP C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CC[C@H](O)C1)C2 ZINC001273070166 827861147 /nfs/dbraw/zinc/86/11/47/827861147.db2.gz UALTXLKPLSQYNE-WOPDTQHZSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001273070166 827861158 /nfs/dbraw/zinc/86/11/58/827861158.db2.gz UALTXLKPLSQYNE-WOPDTQHZSA-N 2 1 253.346 -0.785 20 0 CBADMP C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001273070166 827861166 /nfs/dbraw/zinc/86/11/66/827861166.db2.gz UALTXLKPLSQYNE-WOPDTQHZSA-N 2 1 253.346 -0.785 20 0 CBADMP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C[NH+]1CC[C@H](O)C1 ZINC001273070092 827861596 /nfs/dbraw/zinc/86/15/96/827861596.db2.gz QZTZGZLRSICGRF-SRVKXCTJSA-N 2 1 253.346 -0.642 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C[NH+]1CC[C@H](O)C1 ZINC001273070092 827861602 /nfs/dbraw/zinc/86/16/02/827861602.db2.gz QZTZGZLRSICGRF-SRVKXCTJSA-N 2 1 253.346 -0.642 20 0 CBADMP C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001273070092 827861608 /nfs/dbraw/zinc/86/16/08/827861608.db2.gz QZTZGZLRSICGRF-SRVKXCTJSA-N 2 1 253.346 -0.642 20 0 CBADMP C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001273070092 827861616 /nfs/dbraw/zinc/86/16/16/827861616.db2.gz QZTZGZLRSICGRF-SRVKXCTJSA-N 2 1 253.346 -0.642 20 0 CBADMP C[C@H](O)C[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001273075913 827863419 /nfs/dbraw/zinc/86/34/19/827863419.db2.gz MVRBBOFDMWSQBW-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2[C@H]3COC[C@@H]2C[NH+](C)C3)C1 ZINC001273101653 827866159 /nfs/dbraw/zinc/86/61/59/827866159.db2.gz YYOUFLVHZVQKRF-SDDRHHMPSA-N 2 1 253.346 -0.521 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2[C@H]3COC[C@@H]2C[NH+](C)C3)C1 ZINC001273101653 827866171 /nfs/dbraw/zinc/86/61/71/827866171.db2.gz YYOUFLVHZVQKRF-SDDRHHMPSA-N 2 1 253.346 -0.521 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2[C@H]3COC[C@@H]2C[N@H+](C)C3)C1 ZINC001273101653 827866178 /nfs/dbraw/zinc/86/61/78/827866178.db2.gz YYOUFLVHZVQKRF-SDDRHHMPSA-N 2 1 253.346 -0.521 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2[C@H]3COC[C@@H]2C[N@@H+](C)C3)C1 ZINC001273101653 827866184 /nfs/dbraw/zinc/86/61/84/827866184.db2.gz YYOUFLVHZVQKRF-SDDRHHMPSA-N 2 1 253.346 -0.521 20 0 CBADMP CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001273122994 827867607 /nfs/dbraw/zinc/86/76/07/827867607.db2.gz LVDWGSIJGJGUFS-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273175969 827871148 /nfs/dbraw/zinc/87/11/48/827871148.db2.gz NLJXVRCDOCCIJG-MNOVXSKESA-N 2 1 270.377 -0.832 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCF)C1 ZINC001273300580 827886867 /nfs/dbraw/zinc/88/68/67/827886867.db2.gz LTNZUKMSXBSREZ-VXGBXAGGSA-N 2 1 273.352 -0.133 20 0 CBADMP CCN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001273374187 827895898 /nfs/dbraw/zinc/89/58/98/827895898.db2.gz HEMQGXZXCJHUCA-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP CCN(CC[NH2+]Cc1cnn(C)n1)C(=O)C[NH+]1CCCC1 ZINC001273753233 827924365 /nfs/dbraw/zinc/92/43/65/827924365.db2.gz UAUJRLCQNIUSSL-UHFFFAOYSA-N 2 1 294.403 -0.151 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274047322 827955883 /nfs/dbraw/zinc/95/58/83/827955883.db2.gz OBXIGXXZAVSUOD-OCCSQVGLSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001274047836 827956110 /nfs/dbraw/zinc/95/61/10/827956110.db2.gz UFBDSKQIIHGNCU-YNEHKIRRSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001274262825 827978424 /nfs/dbraw/zinc/97/84/24/827978424.db2.gz IQVZDDNPBFUQSR-ANDSXOESSA-N 2 1 268.361 -0.784 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\C[NH2+][C@H]2CCNC2=O)C1 ZINC001274367970 827985061 /nfs/dbraw/zinc/98/50/61/827985061.db2.gz IAGTZOJRXUQBDW-FAQRPARDSA-N 2 1 294.399 -0.521 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\C[NH2+][C@@H]2CCNC2=O)C1 ZINC001274367972 827985592 /nfs/dbraw/zinc/98/55/92/827985592.db2.gz IAGTZOJRXUQBDW-LLGAQUFESA-N 2 1 294.399 -0.521 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CCCO)C1 ZINC001274579170 828003631 /nfs/dbraw/zinc/00/36/31/828003631.db2.gz RIUITQDCPPVVOR-DLGQBQFBSA-N 2 1 255.362 -0.418 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C[N@@H+](C)C(C)C ZINC001274608134 828009727 /nfs/dbraw/zinc/00/97/27/828009727.db2.gz DMVIIVGYOHMOQS-SYTKJHMZSA-N 2 1 284.404 -0.277 20 0 CBADMP C[C@H](C[NH2+]CCNC(=O)C1CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001274883093 828036775 /nfs/dbraw/zinc/03/67/75/828036775.db2.gz DFOSGZHUWZSWIY-DGCLKSJQSA-N 2 1 296.415 -0.299 20 0 CBADMP COCCC[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001274939572 828044334 /nfs/dbraw/zinc/04/43/34/828044334.db2.gz NSVYKNDIYGLVKF-OKILXGFUSA-N 2 1 271.405 -0.031 20 0 CBADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C)CC3)[C@@H]2C1 ZINC001275044953 828051800 /nfs/dbraw/zinc/05/18/00/828051800.db2.gz IMIFYDAKVMRJFX-CHWSQXEVSA-N 2 1 297.399 -0.251 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001275445247 828087099 /nfs/dbraw/zinc/08/70/99/828087099.db2.gz AVUYSZNODOTFPS-DTWKUNHWSA-N 2 1 267.333 -0.840 20 0 CBADMP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001275623680 828104633 /nfs/dbraw/zinc/10/46/33/828104633.db2.gz YJXOXWWNIVMGDA-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](C[NH+](C)CCO)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001275623680 828104639 /nfs/dbraw/zinc/10/46/39/828104639.db2.gz YJXOXWWNIVMGDA-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](C[NH+](C)CCO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001275623680 828104641 /nfs/dbraw/zinc/10/46/41/828104641.db2.gz YJXOXWWNIVMGDA-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001275706140 828108322 /nfs/dbraw/zinc/10/83/22/828108322.db2.gz DFJJCFPZEJQLGL-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001275706140 828108327 /nfs/dbraw/zinc/10/83/27/828108327.db2.gz DFJJCFPZEJQLGL-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC(N)=O ZINC001275706140 828108331 /nfs/dbraw/zinc/10/83/31/828108331.db2.gz DFJJCFPZEJQLGL-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)CC(N)=O ZINC001275706140 828108335 /nfs/dbraw/zinc/10/83/35/828108335.db2.gz DFJJCFPZEJQLGL-SNVBAGLBSA-N 2 1 258.366 -0.750 20 0 CBADMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](CCN3CCOCC3)[C@@H]2C1 ZINC001275990711 828128276 /nfs/dbraw/zinc/12/82/76/828128276.db2.gz WQDBMGYCMGZVOQ-JKSUJKDBSA-N 2 1 296.459 -0.114 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2CCN1CCOCC1 ZINC001275990449 828128645 /nfs/dbraw/zinc/12/86/45/828128645.db2.gz MLDGJAHPBSKYKY-GASCZTMLSA-N 2 1 282.432 -0.361 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2CCN1CCOCC1 ZINC001275990449 828128648 /nfs/dbraw/zinc/12/86/48/828128648.db2.gz MLDGJAHPBSKYKY-GASCZTMLSA-N 2 1 282.432 -0.361 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CCOCCO ZINC001276002260 828129040 /nfs/dbraw/zinc/12/90/40/828129040.db2.gz JSINLDVKZHCKTK-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CCOCCO ZINC001276002260 828129042 /nfs/dbraw/zinc/12/90/42/828129042.db2.gz JSINLDVKZHCKTK-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CCOCCO ZINC001276002260 828129046 /nfs/dbraw/zinc/12/90/46/828129046.db2.gz JSINLDVKZHCKTK-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC2(CN(CC[NH+](C)C)C2)C1 ZINC001276463280 828146800 /nfs/dbraw/zinc/14/68/00/828146800.db2.gz IJCLZTQAAUDACZ-UHFFFAOYSA-N 2 1 268.405 -0.356 20 0 CBADMP O=C(N[C@H](C[NH2+]CCO)C1CC1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001276602602 828151721 /nfs/dbraw/zinc/15/17/21/828151721.db2.gz BFZIIRINECIURS-IJLUTSLNSA-N 2 1 278.356 -0.010 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1C[C@@H](C)O ZINC001276956894 828168578 /nfs/dbraw/zinc/16/85/78/828168578.db2.gz PKCHPWVJEKTFMK-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1C[C@@H](C)O ZINC001276956894 828168579 /nfs/dbraw/zinc/16/85/79/828168579.db2.gz PKCHPWVJEKTFMK-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1C[C@@H](C)O ZINC001276956894 828168581 /nfs/dbraw/zinc/16/85/81/828168581.db2.gz PKCHPWVJEKTFMK-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC001276713712 828156883 /nfs/dbraw/zinc/15/68/83/828156883.db2.gz KNWJPOCYBDSPBW-OKILXGFUSA-N 2 1 280.416 -0.167 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001276714520 828156908 /nfs/dbraw/zinc/15/69/08/828156908.db2.gz ZVWJZLDYOMYFHV-HOTGVXAUSA-N 3 1 296.459 -0.067 20 0 CBADMP C[NH+](C)CCN1CCC12C[NH+](C[C@@H]1COCCO1)C2 ZINC001277526838 828192582 /nfs/dbraw/zinc/19/25/82/828192582.db2.gz PEHCYIRCOLIXRM-CYBMUJFWSA-N 2 1 269.389 -0.277 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2C[C@H]1COCCO1 ZINC001277526330 828192844 /nfs/dbraw/zinc/19/28/44/828192844.db2.gz BHYRVBZJAKILMU-MJBXVCDLSA-N 2 1 269.389 -0.278 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2C[C@H]1COCCO1 ZINC001277526330 828192847 /nfs/dbraw/zinc/19/28/47/828192847.db2.gz BHYRVBZJAKILMU-MJBXVCDLSA-N 2 1 269.389 -0.278 20 0 CBADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CC1 ZINC001277630412 828199766 /nfs/dbraw/zinc/19/97/66/828199766.db2.gz JCZFWXCVKCURQI-OKILXGFUSA-N 2 1 280.416 -0.025 20 0 CBADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CC1 ZINC001277630412 828199770 /nfs/dbraw/zinc/19/97/70/828199770.db2.gz JCZFWXCVKCURQI-OKILXGFUSA-N 2 1 280.416 -0.025 20 0 CBADMP COC(=O)CC[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277870525 828215653 /nfs/dbraw/zinc/21/56/53/828215653.db2.gz FSBIMGXWWHBSDC-BETUJISGSA-N 2 1 285.388 -0.504 20 0 CBADMP COC(=O)CC[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277870525 828215659 /nfs/dbraw/zinc/21/56/59/828215659.db2.gz FSBIMGXWWHBSDC-BETUJISGSA-N 2 1 285.388 -0.504 20 0 CBADMP C[NH+](C)CCN1CCO[C@]2(CCC[N@H+](CC(N)=O)C2)C1 ZINC001277980595 828225543 /nfs/dbraw/zinc/22/55/43/828225543.db2.gz ABWBVDHXAHHLHF-CQSZACIVSA-N 2 1 284.404 -0.800 20 0 CBADMP C[NH+](C)CCN1CCO[C@]2(CCC[N@@H+](CC(N)=O)C2)C1 ZINC001277980595 828225546 /nfs/dbraw/zinc/22/55/46/828225546.db2.gz ABWBVDHXAHHLHF-CQSZACIVSA-N 2 1 284.404 -0.800 20 0 CBADMP CNC(=O)C[NH+]1CCC2(CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001278011590 828229926 /nfs/dbraw/zinc/22/99/26/828229926.db2.gz WEUTWTCSJGDVIU-UHFFFAOYSA-N 2 1 296.415 -0.392 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H]2CC[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001278011512 828230606 /nfs/dbraw/zinc/23/06/06/828230606.db2.gz UDYOZZVAQBRSQT-BETUJISGSA-N 2 1 296.415 -0.536 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H]2CC[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001278011512 828230613 /nfs/dbraw/zinc/23/06/13/828230613.db2.gz UDYOZZVAQBRSQT-BETUJISGSA-N 2 1 296.415 -0.536 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H]2CC[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001278011512 828230619 /nfs/dbraw/zinc/23/06/19/828230619.db2.gz UDYOZZVAQBRSQT-BETUJISGSA-N 2 1 296.415 -0.536 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001278032086 828232847 /nfs/dbraw/zinc/23/28/47/828232847.db2.gz GPDCBENZOJUWDC-NSHDSACASA-N 2 1 254.378 -0.571 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001278029707 828233158 /nfs/dbraw/zinc/23/31/58/828233158.db2.gz UGRBFBFUEBIZQH-IJLUTSLNSA-N 2 1 294.399 -0.608 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001278029707 828233164 /nfs/dbraw/zinc/23/31/64/828233164.db2.gz UGRBFBFUEBIZQH-IJLUTSLNSA-N 2 1 294.399 -0.608 20 0 CBADMP CN1CCO[C@H]2C[N@@H+](CCCN3CC[NH+](C)CC3)C[C@H]21 ZINC001278116779 828249387 /nfs/dbraw/zinc/24/93/87/828249387.db2.gz HGUJAQJWAWSACU-CABCVRRESA-N 2 1 282.432 -0.361 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CCO)C2CCCC2)C1 ZINC001278227133 828260470 /nfs/dbraw/zinc/26/04/70/828260470.db2.gz XMWKQRZYQMDNOR-KBPBESRZSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CCO)C2CCCC2)C1 ZINC001278227133 828260473 /nfs/dbraw/zinc/26/04/73/828260473.db2.gz XMWKQRZYQMDNOR-KBPBESRZSA-N 2 1 299.415 -0.426 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001278437923 828269580 /nfs/dbraw/zinc/26/95/80/828269580.db2.gz KWPLMINIPZLFNJ-CQSZACIVSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001278437923 828269586 /nfs/dbraw/zinc/26/95/86/828269586.db2.gz KWPLMINIPZLFNJ-CQSZACIVSA-N 2 1 284.404 -0.216 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCO)C1 ZINC001278468983 828271336 /nfs/dbraw/zinc/27/13/36/828271336.db2.gz GGEPKHHMUOGHRG-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1CCO ZINC001278520904 828272684 /nfs/dbraw/zinc/27/26/84/828272684.db2.gz KDHURKOMLAVZHO-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CN(C[C@H](O)C[NH2+]CCCF)C(=O)[C@H]1CCC[N@H+]1C ZINC001278791701 828289031 /nfs/dbraw/zinc/28/90/31/828289031.db2.gz OKRXSTJCHMGTBE-VXGBXAGGSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001278823349 828293367 /nfs/dbraw/zinc/29/33/67/828293367.db2.gz YMJOEWIJJLWECC-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001278823349 828293371 /nfs/dbraw/zinc/29/33/71/828293371.db2.gz YMJOEWIJJLWECC-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278823349 828293380 /nfs/dbraw/zinc/29/33/80/828293380.db2.gz YMJOEWIJJLWECC-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP CC[NH2+]CCOCCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001279457286 828325741 /nfs/dbraw/zinc/32/57/41/828325741.db2.gz GHKKLTMBTNQFTA-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH2+]CCOCCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001279457286 828325749 /nfs/dbraw/zinc/32/57/49/828325749.db2.gz GHKKLTMBTNQFTA-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[C@H](C(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC001348648035 890671411 /nfs/dbraw/zinc/67/14/11/890671411.db2.gz NWURDEVOPUNGMF-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001349317464 890792455 /nfs/dbraw/zinc/79/24/55/890792455.db2.gz CEDBIKIVEOKYIF-VHSXEESVSA-N 2 1 266.345 -0.747 20 0 CBADMP C[C@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N1CC[NH+](C)CC1 ZINC001349416957 890810674 /nfs/dbraw/zinc/81/06/74/890810674.db2.gz BESAZVXNMHGVKM-JHJVBQTASA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176564087 884704098 /nfs/dbraw/zinc/70/40/98/884704098.db2.gz LCWOURBHWRVETD-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H]([NH3+])C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219793907 884792613 /nfs/dbraw/zinc/79/26/13/884792613.db2.gz NKUJHCQSHXIDGB-SNVBAGLBSA-N 2 1 254.378 -0.334 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)CNC(=O)C[NH3+] ZINC001326409120 885020930 /nfs/dbraw/zinc/02/09/30/885020930.db2.gz UFJUVWGSKFJILC-SECBINFHSA-N 2 1 267.333 -0.981 20 0 CBADMP C[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)N1CC[NH+](C)CC1 ZINC001326582825 885072586 /nfs/dbraw/zinc/07/25/86/885072586.db2.gz SIMKKEJSFSOWAU-FRRDWIJNSA-N 2 1 268.405 -0.182 20 0 CBADMP C[NH2+][C@@H](C)Cc1noc(CN2CC[NH2+]CC2=O)n1 ZINC001329413580 886056422 /nfs/dbraw/zinc/05/64/22/886056422.db2.gz HBDFOPZMRIJAMX-QMMMGPOBSA-N 2 1 253.306 -0.848 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001330869774 886606958 /nfs/dbraw/zinc/60/69/58/886606958.db2.gz HEIGPNJNRGPUJM-NWDGAFQWSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001331514722 886829008 /nfs/dbraw/zinc/82/90/08/886829008.db2.gz WTRGYVAJGSZUBR-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP OCC[NH2+]C1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC001331917214 887046680 /nfs/dbraw/zinc/04/66/80/887046680.db2.gz VCQZHRXETHMSCV-LBPRGKRZSA-N 2 1 265.361 -0.188 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC001332287653 887183757 /nfs/dbraw/zinc/18/37/57/887183757.db2.gz MLRKJNSOKAUTKV-GARJFASQSA-N 2 1 282.388 -0.561 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC001332334615 887207870 /nfs/dbraw/zinc/20/78/70/887207870.db2.gz NTSVUHKQHBPWLX-VXGBXAGGSA-N 3 1 255.362 -0.586 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC001332334615 887207885 /nfs/dbraw/zinc/20/78/85/887207885.db2.gz NTSVUHKQHBPWLX-VXGBXAGGSA-N 3 1 255.362 -0.586 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCOC12CCOCC2 ZINC001332391868 887253213 /nfs/dbraw/zinc/25/32/13/887253213.db2.gz WCFLGLZTUYQXCK-NEPJUHHUSA-N 2 1 258.362 -0.163 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC001332500673 887321817 /nfs/dbraw/zinc/32/18/17/887321817.db2.gz WWOVCKQPJOMEKF-GFCCVEGCSA-N 2 1 254.378 -0.508 20 0 CBADMP C[C@H]1C[N@@H+](CC(=O)N2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001335180448 888434326 /nfs/dbraw/zinc/43/43/26/888434326.db2.gz HCOVASJELDSHPF-RYUDHWBXSA-N 3 1 254.378 -0.665 20 0 CBADMP C[C@H]1C[N@H+](CC(=O)N2CCNCC2)CC[C@H]1C[NH3+] ZINC001335180448 888434336 /nfs/dbraw/zinc/43/43/36/888434336.db2.gz HCOVASJELDSHPF-RYUDHWBXSA-N 2 1 254.378 -0.665 20 0 CBADMP C[C@H]1C[N@@H+](CC(=O)N2CCNCC2)CC[C@H]1C[NH3+] ZINC001335180448 888434347 /nfs/dbraw/zinc/43/43/47/888434347.db2.gz HCOVASJELDSHPF-RYUDHWBXSA-N 2 1 254.378 -0.665 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2C[NH2+]1 ZINC001335264415 888476810 /nfs/dbraw/zinc/47/68/10/888476810.db2.gz NHDDGFKWNDNOOS-PELKAZGASA-N 2 1 263.345 -0.158 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCNc1cnccn1)C1CC1 ZINC001336757054 888871235 /nfs/dbraw/zinc/87/12/35/888871235.db2.gz XMHNRSQHODNDOI-LBPRGKRZSA-N 2 1 265.361 -0.067 20 0 CBADMP CCN1C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1=O ZINC001336778144 888881077 /nfs/dbraw/zinc/88/10/77/888881077.db2.gz FOKLBVDEJBVBJD-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP CCN1C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC001336778144 888881094 /nfs/dbraw/zinc/88/10/94/888881094.db2.gz FOKLBVDEJBVBJD-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001336964174 888936156 /nfs/dbraw/zinc/93/61/56/888936156.db2.gz GEKRUQIICLNULS-SDDRHHMPSA-N 2 1 284.404 -0.219 20 0 CBADMP C[NH2+]CCCNC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001338367666 889148893 /nfs/dbraw/zinc/14/88/93/889148893.db2.gz CRDZPNHRIUWBAU-VIFPVBQESA-N 2 1 251.334 -0.286 20 0 CBADMP COCCOC[C@@H](O)C[NH2+][C@@H]1CCn2c[nH+]cc2C1 ZINC001338534306 889173102 /nfs/dbraw/zinc/17/31/02/889173102.db2.gz FFPSANCRGGJCNM-YPMHNXCESA-N 2 1 269.345 -0.189 20 0 CBADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CO)[C@H](C)C1 ZINC001340092314 889383014 /nfs/dbraw/zinc/38/30/14/889383014.db2.gz AELYAQICDSRSEP-JHJVBQTASA-N 2 1 287.404 -0.441 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001340172617 889401754 /nfs/dbraw/zinc/40/17/54/889401754.db2.gz KPSWOMMJUBIOAV-AGIUHOORSA-N 2 1 269.389 -0.074 20 0 CBADMP C[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](O)C[NH2+]1 ZINC001340189916 889406108 /nfs/dbraw/zinc/40/61/08/889406108.db2.gz GAOQOCCVZHOOEG-IRUJWGPZSA-N 2 1 253.346 -0.548 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001340882141 889503981 /nfs/dbraw/zinc/50/39/81/889503981.db2.gz VXMDRQPFLGDKOP-RYUDHWBXSA-N 2 1 254.378 -0.652 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCN1CCC([NH3+])CC1 ZINC001341056642 889536640 /nfs/dbraw/zinc/53/66/40/889536640.db2.gz MQLIWQGRLJRHKD-UHFFFAOYSA-N 2 1 256.394 -0.134 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH2+]C1CC1 ZINC001341354086 889580653 /nfs/dbraw/zinc/58/06/53/889580653.db2.gz PTLKCUUZEBZEMY-CMPLNLGQSA-N 2 1 252.362 -0.757 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)Nc1cc2n(n1)CC[NH2+]C2 ZINC001341388261 889586927 /nfs/dbraw/zinc/58/69/27/889586927.db2.gz GKMFKDPLLDLUIQ-SNVBAGLBSA-N 2 1 265.317 -0.697 20 0 CBADMP CN1CCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])CC[N@@H+](C)CC1 ZINC001341512206 889610948 /nfs/dbraw/zinc/61/09/48/889610948.db2.gz VEQWYLBOXNUKKP-VXGBXAGGSA-N 2 1 254.378 -0.713 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001341526984 889614679 /nfs/dbraw/zinc/61/46/79/889614679.db2.gz SSQXFEYAWBRFCB-LBPRGKRZSA-N 2 1 254.334 -0.678 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001341715279 889650954 /nfs/dbraw/zinc/65/09/54/889650954.db2.gz SXVLXFVYCLYXSE-AAEUAGOBSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001443608834 912242719 /nfs/dbraw/zinc/24/27/19/912242719.db2.gz JYJDMKFKOFVTGN-NSHDSACASA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C2(C[NH3+])CC(O)C2)CC[N@H+]1C ZINC001341701015 889651805 /nfs/dbraw/zinc/65/18/05/889651805.db2.gz MMKRRDAFOGHCOB-CFGSLIKFSA-N 2 1 255.362 -0.315 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C[N@H+]1C1CC1 ZINC001341731085 889655323 /nfs/dbraw/zinc/65/53/23/889655323.db2.gz BDIMJTUIASIKJW-IQOUGMIPSA-N 2 1 267.373 -0.159 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC001342567350 889791896 /nfs/dbraw/zinc/79/18/96/889791896.db2.gz ANTLHHSRMHKWFR-VWYCJHECSA-N 2 1 268.361 -0.937 20 0 CBADMP CN[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)c1cnn(C)c1 ZINC001342650821 889809709 /nfs/dbraw/zinc/80/97/09/889809709.db2.gz UYQFSTZYMLILOL-DLOVCJGASA-N 2 1 265.361 -0.111 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)c1cnn(C)c1 ZINC001342650821 889809729 /nfs/dbraw/zinc/80/97/29/889809729.db2.gz UYQFSTZYMLILOL-DLOVCJGASA-N 2 1 265.361 -0.111 20 0 CBADMP [NH3+]CC1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC(O)C1 ZINC001343423644 889906544 /nfs/dbraw/zinc/90/65/44/889906544.db2.gz MFOYJDMIEQJREK-DCBWTQNWSA-N 2 1 267.373 -0.313 20 0 CBADMP [NH3+]CC1(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC(O)C1 ZINC001343423646 889907192 /nfs/dbraw/zinc/90/71/92/889907192.db2.gz MFOYJDMIEQJREK-LKSINWNRSA-N 2 1 267.373 -0.313 20 0 CBADMP C[C@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@@H]1C[N@@H+](C)CCN1C ZINC001343581791 889935589 /nfs/dbraw/zinc/93/55/89/889935589.db2.gz FMADLHMMOUVWQS-QCNOEVLYSA-N 2 1 254.378 -0.668 20 0 CBADMP C[C@H](NC(=O)CC1(C[NH3+])CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001343582125 889935654 /nfs/dbraw/zinc/93/56/54/889935654.db2.gz ISRQLIKHBSDCGQ-RYUDHWBXSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H](NC(=O)CC1(C[NH3+])CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001343582125 889935674 /nfs/dbraw/zinc/93/56/74/889935674.db2.gz ISRQLIKHBSDCGQ-RYUDHWBXSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H](NC(=O)CC1(C[NH3+])CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001343582125 889935681 /nfs/dbraw/zinc/93/56/81/889935681.db2.gz ISRQLIKHBSDCGQ-RYUDHWBXSA-N 2 1 268.405 -0.134 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001444409069 912444360 /nfs/dbraw/zinc/44/43/60/912444360.db2.gz OGXCHVNXBLFYRV-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001444429453 912448431 /nfs/dbraw/zinc/44/84/31/912448431.db2.gz CKUOPZFWTWDKNA-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001444602115 912477402 /nfs/dbraw/zinc/47/74/02/912477402.db2.gz ZPYDSBPFUYDYQK-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001444763074 912503958 /nfs/dbraw/zinc/50/39/58/912503958.db2.gz WHQRATQPUGRXEY-STQMWFEESA-N 2 1 298.431 -0.066 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC001345490407 890136032 /nfs/dbraw/zinc/13/60/32/890136032.db2.gz JOVIUGZVOXUMIY-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP Cc1[nH+]ccn1CCCCNC(=O)CNC(=O)C[NH3+] ZINC001345780954 890164826 /nfs/dbraw/zinc/16/48/26/890164826.db2.gz KNPNVKPZWGUNEL-UHFFFAOYSA-N 2 1 267.333 -0.837 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O ZINC001445067784 912549506 /nfs/dbraw/zinc/54/95/06/912549506.db2.gz YKEPFEUNTDKGNC-LLVKDONJSA-N 2 1 272.393 -0.408 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O ZINC001445067784 912549515 /nfs/dbraw/zinc/54/95/15/912549515.db2.gz YKEPFEUNTDKGNC-LLVKDONJSA-N 2 1 272.393 -0.408 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001445067784 912549520 /nfs/dbraw/zinc/54/95/20/912549520.db2.gz YKEPFEUNTDKGNC-LLVKDONJSA-N 2 1 272.393 -0.408 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001445067784 912549535 /nfs/dbraw/zinc/54/95/35/912549535.db2.gz YKEPFEUNTDKGNC-LLVKDONJSA-N 2 1 272.393 -0.408 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCCC2)C1 ZINC001445149749 912583126 /nfs/dbraw/zinc/58/31/26/912583126.db2.gz DHZZNQRVPWWBRJ-KBPBESRZSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCCC2)C1 ZINC001445149749 912583137 /nfs/dbraw/zinc/58/31/37/912583137.db2.gz DHZZNQRVPWWBRJ-KBPBESRZSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001445165884 912594209 /nfs/dbraw/zinc/59/42/09/912594209.db2.gz XUJLOFAVTIJHRT-KBPBESRZSA-N 2 1 299.415 -0.426 20 0 CBADMP CC(C)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001445244433 912612049 /nfs/dbraw/zinc/61/20/49/912612049.db2.gz DSHQWYMDRCMANU-CYBMUJFWSA-N 2 1 287.404 -0.569 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1)[NH+](C)C ZINC001445256252 912617307 /nfs/dbraw/zinc/61/73/07/912617307.db2.gz ALVZFUAXUNWRIE-QWHCGFSZSA-N 2 1 298.387 -0.173 20 0 CBADMP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001445313885 912630003 /nfs/dbraw/zinc/63/00/03/912630003.db2.gz OKMNCBZZZHELDH-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001445395974 912657837 /nfs/dbraw/zinc/65/78/37/912657837.db2.gz QPBXLGSJAXRZNX-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001445480739 912675050 /nfs/dbraw/zinc/67/50/50/912675050.db2.gz JJGMZPZAEUJPOY-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445497722 912678858 /nfs/dbraw/zinc/67/88/58/912678858.db2.gz DUJWJUYEBPJRNJ-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445497722 912678866 /nfs/dbraw/zinc/67/88/66/912678866.db2.gz DUJWJUYEBPJRNJ-GHMZBOCLSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001445871174 912775434 /nfs/dbraw/zinc/77/54/34/912775434.db2.gz OPSNZLMDISLBIW-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001445871174 912775443 /nfs/dbraw/zinc/77/54/43/912775443.db2.gz OPSNZLMDISLBIW-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445871174 912775456 /nfs/dbraw/zinc/77/54/56/912775456.db2.gz OPSNZLMDISLBIW-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445871174 912775471 /nfs/dbraw/zinc/77/54/71/912775471.db2.gz OPSNZLMDISLBIW-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001445871170 912775812 /nfs/dbraw/zinc/77/58/12/912775812.db2.gz OPSNZLMDISLBIW-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001445871170 912775826 /nfs/dbraw/zinc/77/58/26/912775826.db2.gz OPSNZLMDISLBIW-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445871170 912775840 /nfs/dbraw/zinc/77/58/40/912775840.db2.gz OPSNZLMDISLBIW-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445871170 912775856 /nfs/dbraw/zinc/77/58/56/912775856.db2.gz OPSNZLMDISLBIW-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001446223695 912839920 /nfs/dbraw/zinc/83/99/20/912839920.db2.gz NBVWLIANYBWBOX-VXGBXAGGSA-N 2 1 294.399 -0.402 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020660737 884613188 /nfs/dbraw/zinc/61/31/88/884613188.db2.gz DDLQHPUWQIMLEO-XYPYZODXSA-N 2 1 293.371 -0.271 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001152426617 884677001 /nfs/dbraw/zinc/67/70/01/884677001.db2.gz JOHDQJWEWDCNJM-JTQLQIEISA-N 2 1 283.380 -0.683 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001152426617 884677011 /nfs/dbraw/zinc/67/70/11/884677011.db2.gz JOHDQJWEWDCNJM-JTQLQIEISA-N 2 1 283.380 -0.683 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001188158867 884720557 /nfs/dbraw/zinc/72/05/57/884720557.db2.gz XNQYRHKVJBTUNO-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001188158869 884720881 /nfs/dbraw/zinc/72/08/81/884720881.db2.gz XPYWQKYIOBOFCA-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001188158869 884720895 /nfs/dbraw/zinc/72/08/95/884720895.db2.gz XPYWQKYIOBOFCA-GFCCVEGCSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CCC[C@H]1C[NH3+] ZINC001206012753 884754041 /nfs/dbraw/zinc/75/40/41/884754041.db2.gz NLNAIGZITNQOOI-NEPJUHHUSA-N 2 1 294.399 -0.109 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1C ZINC001210041194 884759214 /nfs/dbraw/zinc/75/92/14/884759214.db2.gz RCTCTQPNPGPSQJ-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1C ZINC001210041194 884759236 /nfs/dbraw/zinc/75/92/36/884759236.db2.gz RCTCTQPNPGPSQJ-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001210041194 884759254 /nfs/dbraw/zinc/75/92/54/884759254.db2.gz RCTCTQPNPGPSQJ-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001210041194 884759271 /nfs/dbraw/zinc/75/92/71/884759271.db2.gz RCTCTQPNPGPSQJ-IJLUTSLNSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1C ZINC001210041184 884759594 /nfs/dbraw/zinc/75/95/94/884759594.db2.gz QXMANCFLWRFVEB-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001210041184 884759610 /nfs/dbraw/zinc/75/96/10/884759610.db2.gz QXMANCFLWRFVEB-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001210041184 884759620 /nfs/dbraw/zinc/75/96/20/884759620.db2.gz QXMANCFLWRFVEB-VXGBXAGGSA-N 2 1 257.378 -0.243 20 0 CBADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219796021 884791640 /nfs/dbraw/zinc/79/16/40/884791640.db2.gz JHOCWATXAQDXHO-KBPBESRZSA-N 2 1 296.415 -0.958 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1cnn(C)c1 ZINC001326287120 884972546 /nfs/dbraw/zinc/97/25/46/884972546.db2.gz IFQRZDJEXVZBJH-JLLWLGSASA-N 2 1 265.361 -0.063 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001326306833 884981814 /nfs/dbraw/zinc/98/18/14/884981814.db2.gz UFKPLSVGIKKVCM-NSHDSACASA-N 2 1 281.360 -0.871 20 0 CBADMP [NH3+]C[C@@H]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1 ZINC001326360699 885003906 /nfs/dbraw/zinc/00/39/06/885003906.db2.gz ABCNSBGSLXHLSN-VHSXEESVSA-N 2 1 263.345 -0.093 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC001326375120 885011445 /nfs/dbraw/zinc/01/14/45/885011445.db2.gz GYUGMZTYYOAGSD-IUCAKERBSA-N 2 1 263.345 -0.135 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001446455679 912888582 /nfs/dbraw/zinc/88/85/82/912888582.db2.gz MMKBOWOFMIGPPW-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001326800755 885152682 /nfs/dbraw/zinc/15/26/82/885152682.db2.gz OYKOIDPBTZSRGV-BXUZGUMPSA-N 2 1 269.389 -0.053 20 0 CBADMP Cn1cc[nH+]c1Cn1cnc2c(c1=O)CC[NH2+]CC2 ZINC001326805465 885156779 /nfs/dbraw/zinc/15/67/79/885156779.db2.gz HWWKZVIOENMMCX-UHFFFAOYSA-N 2 1 259.313 -0.287 20 0 CBADMP C[NH2+][C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC001327059342 885240207 /nfs/dbraw/zinc/24/02/07/885240207.db2.gz JVPSIBNFPGKAHZ-CMPLNLGQSA-N 2 1 265.361 -0.204 20 0 CBADMP O=C(C[N@H+]1CCC[C@@H]2COCC[C@H]21)N1CC[NH2+]CC1 ZINC001327086709 885253402 /nfs/dbraw/zinc/25/34/02/885253402.db2.gz GKVWFIFBNKMNAP-CHWSQXEVSA-N 2 1 267.373 -0.081 20 0 CBADMP C[NH2+]CCC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001327122429 885266237 /nfs/dbraw/zinc/26/62/37/885266237.db2.gz YVTDXKQRUSNEPO-SNVBAGLBSA-N 2 1 251.334 -0.498 20 0 CBADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC001327230361 885293804 /nfs/dbraw/zinc/29/38/04/885293804.db2.gz HOWLOGPGTADDMR-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH2+]C[C@](C)(O)CN1CC[NH+](CCOCCOC)CC1 ZINC001327322696 885325968 /nfs/dbraw/zinc/32/59/68/885325968.db2.gz GLNPQOPPQDOVGK-AWEZNQCLSA-N 2 1 289.420 -0.763 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001327471967 885369539 /nfs/dbraw/zinc/36/95/39/885369539.db2.gz PAHRZSDSFFWSOI-WOPDTQHZSA-N 2 1 280.372 -0.793 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001327500983 885377596 /nfs/dbraw/zinc/37/75/96/885377596.db2.gz XIQGEKQMSXPYFJ-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP C([C@H]1CCC2(C[NH2+]C2)O1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001327564066 885407140 /nfs/dbraw/zinc/40/71/40/885407140.db2.gz WESZHRXQGUSANW-ZIAGYGMSSA-N 3 1 280.416 -0.513 20 0 CBADMP C([C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327560983 885407593 /nfs/dbraw/zinc/40/75/93/885407593.db2.gz AGHACMDJCMAFDL-STQMWFEESA-N 2 1 255.362 -0.619 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001327562130 885408657 /nfs/dbraw/zinc/40/86/57/885408657.db2.gz JHPNPMLWFKMISD-MDZLAQPJSA-N 2 1 255.362 -0.443 20 0 CBADMP [NH3+]CCCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001327682024 885451979 /nfs/dbraw/zinc/45/19/79/885451979.db2.gz ITGRXMHCYFJDRK-OLZOCXBDSA-N 2 1 296.415 -0.025 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+](C[C@H](C)O)C1 ZINC001446788182 912949635 /nfs/dbraw/zinc/94/96/35/912949635.db2.gz BCERVYVKUKUPNS-GXTWGEPZSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001446788182 912949642 /nfs/dbraw/zinc/94/96/42/912949642.db2.gz BCERVYVKUKUPNS-GXTWGEPZSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001446788182 912949653 /nfs/dbraw/zinc/94/96/53/912949653.db2.gz BCERVYVKUKUPNS-GXTWGEPZSA-N 2 1 287.404 -0.738 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCF ZINC001328323112 885636472 /nfs/dbraw/zinc/63/64/72/885636472.db2.gz OVRLIJYWZAJWTE-QWRGUYRKSA-N 2 1 261.341 -0.229 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCF ZINC001328323112 885636487 /nfs/dbraw/zinc/63/64/87/885636487.db2.gz OVRLIJYWZAJWTE-QWRGUYRKSA-N 2 1 261.341 -0.229 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001328401416 885672636 /nfs/dbraw/zinc/67/26/36/885672636.db2.gz YIVBGPBINVSQDM-STQMWFEESA-N 3 1 268.405 -0.275 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001328455023 885693995 /nfs/dbraw/zinc/69/39/95/885693995.db2.gz MVRAKQNSECWDJR-UONOGXRCSA-N 2 1 298.431 -0.506 20 0 CBADMP O=C(C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O)N1CC[NH2+]CC1 ZINC001328490124 885706801 /nfs/dbraw/zinc/70/68/01/885706801.db2.gz INQLFQFCQANASM-ONXXMXGDSA-N 2 1 267.373 -0.489 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC001328841325 885826234 /nfs/dbraw/zinc/82/62/34/885826234.db2.gz NRZXOZWKXROJKQ-AWEZNQCLSA-N 2 1 299.463 -0.591 20 0 CBADMP C[C@@H]([NH2+]CCO)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001446940112 912983278 /nfs/dbraw/zinc/98/32/78/912983278.db2.gz GOOLHLCHJJAGOW-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001447009876 912996999 /nfs/dbraw/zinc/99/69/99/912996999.db2.gz MIXQZTRZDYRLPJ-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001447009876 912997011 /nfs/dbraw/zinc/99/70/11/912997011.db2.gz MIXQZTRZDYRLPJ-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001447009876 912997021 /nfs/dbraw/zinc/99/70/21/912997021.db2.gz MIXQZTRZDYRLPJ-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001447009876 912997027 /nfs/dbraw/zinc/99/70/27/912997027.db2.gz MIXQZTRZDYRLPJ-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH2+][C@H](C)Cc1noc(CN2CC[NH2+]CC2=O)n1 ZINC001329413575 886056309 /nfs/dbraw/zinc/05/63/09/886056309.db2.gz HBDFOPZMRIJAMX-MRVPVSSYSA-N 2 1 253.306 -0.848 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCC[NH+](CCCO)C2)C1 ZINC001447039227 913003445 /nfs/dbraw/zinc/00/34/45/913003445.db2.gz KFBIHJMAIIVDQI-UKRRQHHQSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(CO)CCC[N@H+](CCCO)C2)C1 ZINC001447039227 913003466 /nfs/dbraw/zinc/00/34/66/913003466.db2.gz KFBIHJMAIIVDQI-UKRRQHHQSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCCO)C2)C1 ZINC001447039227 913003486 /nfs/dbraw/zinc/00/34/86/913003486.db2.gz KFBIHJMAIIVDQI-UKRRQHHQSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC001329675972 886169496 /nfs/dbraw/zinc/16/94/96/886169496.db2.gz UEIXLPVMGZZYKP-STQMWFEESA-N 2 1 257.378 -0.195 20 0 CBADMP O=C1C[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CN1 ZINC001329942061 886292896 /nfs/dbraw/zinc/29/28/96/886292896.db2.gz VLRWMMSQXBEWPM-DGCLKSJQSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001330018484 886327038 /nfs/dbraw/zinc/32/70/38/886327038.db2.gz CNHBMSVXRARIKN-GARJFASQSA-N 2 1 270.377 -0.609 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC([NH3+])CC3)CC[C@@H]21 ZINC001330568311 886484810 /nfs/dbraw/zinc/48/48/10/886484810.db2.gz SLXFYEDYCWRUSF-AAEUAGOBSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC001330594480 886492159 /nfs/dbraw/zinc/49/21/59/886492159.db2.gz KZLGXLBAFARMJX-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001330865885 886603729 /nfs/dbraw/zinc/60/37/29/886603729.db2.gz HXAKCIZQJQVAQF-NSHDSACASA-N 2 1 295.387 -0.188 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1(C)C ZINC001331221339 886734922 /nfs/dbraw/zinc/73/49/22/886734922.db2.gz QGRSLOAFSHADHE-PHIMTYICSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1(C)C ZINC001331221339 886734907 /nfs/dbraw/zinc/73/49/07/886734907.db2.gz QGRSLOAFSHADHE-PHIMTYICSA-N 2 1 282.388 -0.608 20 0 CBADMP Cn1c[nH+]cc1CCn1cc(COCC[NH3+])nn1 ZINC001331242108 886747384 /nfs/dbraw/zinc/74/73/84/886747384.db2.gz CJXGIEQRGOIZHZ-UHFFFAOYSA-N 2 1 250.306 -0.270 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001331317749 886774689 /nfs/dbraw/zinc/77/46/89/886774689.db2.gz BYUFUSAJEOVFTK-NSHDSACASA-N 2 1 272.393 -0.312 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001331320782 886776830 /nfs/dbraw/zinc/77/68/30/886776830.db2.gz XSALKNAFPOVKLP-HBNTYKKESA-N 2 1 282.388 -0.419 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC001331515888 886829111 /nfs/dbraw/zinc/82/91/11/886829111.db2.gz TXQKJBHBDLAEPY-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001447535431 913092862 /nfs/dbraw/zinc/09/28/62/913092862.db2.gz GLIBWFVSMVANQP-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001331689832 886911726 /nfs/dbraw/zinc/91/17/26/886911726.db2.gz OGJBSXXGWJNGIF-TUAOUCFPSA-N 2 1 255.362 -0.097 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCCS(=O)(=O)C1 ZINC001331755888 886959300 /nfs/dbraw/zinc/95/93/00/886959300.db2.gz QIPXYVGIPYPCAK-LBPRGKRZSA-N 2 1 278.418 -0.021 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCCS(=O)(=O)C1 ZINC001331755888 886959315 /nfs/dbraw/zinc/95/93/15/886959315.db2.gz QIPXYVGIPYPCAK-LBPRGKRZSA-N 2 1 278.418 -0.021 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001331769962 886966451 /nfs/dbraw/zinc/96/64/51/886966451.db2.gz DQYBLYAUXDSPMN-QWRGUYRKSA-N 2 1 261.341 -0.493 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001331769960 886968554 /nfs/dbraw/zinc/96/85/54/886968554.db2.gz DQYBLYAUXDSPMN-MNOVXSKESA-N 2 1 261.341 -0.493 20 0 CBADMP COCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001331773039 886970690 /nfs/dbraw/zinc/97/06/90/886970690.db2.gz SJROJZDRMQUZMU-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H]2CNC(=O)C2)C1 ZINC001331791249 886985127 /nfs/dbraw/zinc/98/51/27/886985127.db2.gz MIUCLANEVZUIJN-YPMHNXCESA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@H+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1(C)C ZINC001331876688 887025604 /nfs/dbraw/zinc/02/56/04/887025604.db2.gz FXIRGGAEURNQNX-URLYPYJESA-N 2 1 252.362 -0.060 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001331947914 887057975 /nfs/dbraw/zinc/05/79/75/887057975.db2.gz JJHTUZHJFOLQGN-WDEREUQCSA-N 2 1 272.393 -0.314 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001331967768 887069349 /nfs/dbraw/zinc/06/93/49/887069349.db2.gz CCEZVRLFAITONJ-GRYCIOLGSA-N 2 1 255.362 -0.097 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC[C@H]21 ZINC001332115896 887116316 /nfs/dbraw/zinc/11/63/16/887116316.db2.gz JDDUBWURVFHSTM-YNEHKIRRSA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)C1CC1 ZINC001332267648 887177633 /nfs/dbraw/zinc/17/76/33/887177633.db2.gz PVKNKAZWTBAIRD-QWHCGFSZSA-N 2 1 294.399 -0.450 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)C1 ZINC001332292731 887187271 /nfs/dbraw/zinc/18/72/71/887187271.db2.gz SVQIUFQPJFDLMA-WHOHXGKFSA-N 2 1 253.346 -0.569 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCC1(C)C ZINC001332330412 887206059 /nfs/dbraw/zinc/20/60/59/887206059.db2.gz BOAHHXHKPNRGSH-TXEJJXNPSA-N 2 1 296.415 -0.217 20 0 CBADMP NS(=O)(=O)C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001332334567 887208613 /nfs/dbraw/zinc/20/86/13/887208613.db2.gz MJUASWFFBWMHCB-LLVKDONJSA-N 2 1 261.391 -0.404 20 0 CBADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC001332340907 887215716 /nfs/dbraw/zinc/21/57/16/887215716.db2.gz SIYOQXMSOONIHP-RUETXSTFSA-N 2 1 284.360 -0.981 20 0 CBADMP C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1C[NH2+]C1 ZINC001332399591 887259753 /nfs/dbraw/zinc/25/97/53/887259753.db2.gz DRCOKHKHVFHPKL-PWSUYJOCSA-N 2 1 267.373 -0.131 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(CCOCC[NH3+])CC2)C1 ZINC001332520932 887337621 /nfs/dbraw/zinc/33/76/21/887337621.db2.gz WXZGBTQGFJNZBL-AWEZNQCLSA-N 2 1 270.421 -0.327 20 0 CBADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCOCC[NH3+])CC2)C1 ZINC001332520932 887337633 /nfs/dbraw/zinc/33/76/33/887337633.db2.gz WXZGBTQGFJNZBL-AWEZNQCLSA-N 3 1 270.421 -0.327 20 0 CBADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCOCC[NH3+])CC2)C1 ZINC001332520932 887337643 /nfs/dbraw/zinc/33/76/43/887337643.db2.gz WXZGBTQGFJNZBL-AWEZNQCLSA-N 3 1 270.421 -0.327 20 0 CBADMP 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 887347923 /nfs/dbraw/zinc/34/79/23/887347923.db2.gz MOHPTRICRKAZQW-LBELIVKGSA-N 2 1 264.373 -0.060 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2CC([NH+](C)C)C2)C1 ZINC001332550402 887351169 /nfs/dbraw/zinc/35/11/69/887351169.db2.gz ONFXDFKVSJRGSQ-UHFFFAOYSA-N 2 1 254.378 -0.748 20 0 CBADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001332717420 887417136 /nfs/dbraw/zinc/41/71/36/887417136.db2.gz QPNWVICUKGKYPN-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001332717420 887417144 /nfs/dbraw/zinc/41/71/44/887417144.db2.gz QPNWVICUKGKYPN-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001332815451 887438448 /nfs/dbraw/zinc/43/84/48/887438448.db2.gz IKQYMDVYTSDFPQ-KBPBESRZSA-N 3 1 280.416 -0.656 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C1=NO[C@H](C[NH3+])C1 ZINC001333000128 887497832 /nfs/dbraw/zinc/49/78/32/887497832.db2.gz LUHIQZNJCRMAFU-MVWJERBFSA-N 2 1 266.345 -0.215 20 0 CBADMP COCC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001333049013 887511220 /nfs/dbraw/zinc/51/12/20/887511220.db2.gz LSVMCTOPXANOEW-BPCQOVAHSA-N 2 1 285.388 -0.458 20 0 CBADMP COCC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001333049013 887511238 /nfs/dbraw/zinc/51/12/38/887511238.db2.gz LSVMCTOPXANOEW-BPCQOVAHSA-N 2 1 285.388 -0.458 20 0 CBADMP OC[C@@H]1C=CCN1CC1(C[N@H+]2CC=C[C@H]2CO)COC1 ZINC001333084302 887520285 /nfs/dbraw/zinc/52/02/85/887520285.db2.gz KDUWDDHQCVCNFF-KBPBESRZSA-N 2 1 280.368 -0.532 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]CCOCCO)C1 ZINC001333154780 887544001 /nfs/dbraw/zinc/54/40/01/887544001.db2.gz VTHCAIPSBSJAIZ-IYXRBSQSSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001333180166 887554619 /nfs/dbraw/zinc/55/46/19/887554619.db2.gz YHBGNJOMXNBMLS-QJPTWQEYSA-N 2 1 282.388 -0.417 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001333215249 887561774 /nfs/dbraw/zinc/56/17/74/887561774.db2.gz LJXJTNCRBSDKSL-NSHDSACASA-N 2 1 256.394 -0.182 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1nncn1C ZINC001447905356 913162857 /nfs/dbraw/zinc/16/28/57/913162857.db2.gz OWEILALIFBVRRK-GHMZBOCLSA-N 2 1 282.392 -0.250 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NCC2=CC[NH+](CC(N)=O)CC2)C1 ZINC001333433505 887639094 /nfs/dbraw/zinc/63/90/94/887639094.db2.gz QWUCUZHRBCAJQM-ZDUSSCGKSA-N 2 1 294.399 -0.438 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC2=CC[NH+](CC(N)=O)CC2)C1 ZINC001333433505 887639100 /nfs/dbraw/zinc/63/91/00/887639100.db2.gz QWUCUZHRBCAJQM-ZDUSSCGKSA-N 2 1 294.399 -0.438 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCC2=CC[N@H+](CC(N)=O)CC2)C1 ZINC001333433505 887639109 /nfs/dbraw/zinc/63/91/09/887639109.db2.gz QWUCUZHRBCAJQM-ZDUSSCGKSA-N 2 1 294.399 -0.438 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)C1 ZINC001333433505 887639116 /nfs/dbraw/zinc/63/91/16/887639116.db2.gz QWUCUZHRBCAJQM-ZDUSSCGKSA-N 2 1 294.399 -0.438 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC001333530175 887677434 /nfs/dbraw/zinc/67/74/34/887677434.db2.gz VHRNNOGKTXVHJO-NAKRPEOUSA-N 2 1 255.318 -0.637 20 0 CBADMP CS(=O)(=O)CC1(CN2CC[NH2+]CC[NH2+]CC2)CC1 ZINC001333528080 887677645 /nfs/dbraw/zinc/67/76/45/887677645.db2.gz ADRSNEAWNCWQFB-UHFFFAOYSA-N 2 1 275.418 -0.694 20 0 CBADMP CCN(C(=O)[C@H](C)N1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC001333751979 887759528 /nfs/dbraw/zinc/75/95/28/887759528.db2.gz VCSYWZSHCBNRAG-STQMWFEESA-N 2 1 268.405 -0.167 20 0 CBADMP CCN(C(=O)[C@@H](C)N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC001333751974 887759990 /nfs/dbraw/zinc/75/99/90/887759990.db2.gz VCSYWZSHCBNRAG-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001447993350 913187042 /nfs/dbraw/zinc/18/70/42/913187042.db2.gz QZBKVEJZVJNNCG-VXGBXAGGSA-N 2 1 298.431 -0.114 20 0 CBADMP C[NH+](C)CC1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC001334154221 887878733 /nfs/dbraw/zinc/87/87/33/887878733.db2.gz JRONXNQZGOHHHE-DGCLKSJQSA-N 2 1 255.362 -0.539 20 0 CBADMP NS(=O)(=O)C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC001334337778 887925408 /nfs/dbraw/zinc/92/54/08/887925408.db2.gz KQJGHNUULPXFIX-GHMZBOCLSA-N 2 1 261.391 -0.404 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001448013922 913193398 /nfs/dbraw/zinc/19/33/98/913193398.db2.gz HSLTZXYURCTZSB-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001448013922 913193404 /nfs/dbraw/zinc/19/34/04/913193404.db2.gz HSLTZXYURCTZSB-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001448013922 913193417 /nfs/dbraw/zinc/19/34/17/913193417.db2.gz HSLTZXYURCTZSB-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001448013922 913193425 /nfs/dbraw/zinc/19/34/25/913193425.db2.gz HSLTZXYURCTZSB-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP CS(=O)(=O)N1CC(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC001334551342 888262786 /nfs/dbraw/zinc/26/27/86/888262786.db2.gz JFZKHGNRVUNVDF-QWRGUYRKSA-N 2 1 259.375 -0.971 20 0 CBADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001334736870 888303831 /nfs/dbraw/zinc/30/38/31/888303831.db2.gz CEEKEMIXVQZEEU-XHSDSOJGSA-N 2 1 294.443 -0.266 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N[C@H](C[NH3+])C3CC3)cc2C[NH2+]1 ZINC001335264417 888476131 /nfs/dbraw/zinc/47/61/31/888476131.db2.gz NHDDGFKWNDNOOS-QPUJVOFHSA-N 2 1 263.345 -0.158 20 0 CBADMP C[C@](Cn1cccn1)([NH2+]C[C@H]1CC[NH2+]C1)C(N)=O ZINC001335271351 888479126 /nfs/dbraw/zinc/47/91/26/888479126.db2.gz DNXICMPLKXQPOU-CMPLNLGQSA-N 2 1 251.334 -0.674 20 0 CBADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCn1cnnn1 ZINC001335397253 888523521 /nfs/dbraw/zinc/52/35/21/888523521.db2.gz ODDCJLKRWMVQOH-CQSZACIVSA-N 2 1 290.371 -0.244 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCn1cnnn1 ZINC001335397253 888523533 /nfs/dbraw/zinc/52/35/33/888523533.db2.gz ODDCJLKRWMVQOH-CQSZACIVSA-N 2 1 290.371 -0.244 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH3+])CCO ZINC001335725515 888613749 /nfs/dbraw/zinc/61/37/49/888613749.db2.gz DXEVQZWHWFXRCA-LLVKDONJSA-N 2 1 258.366 -0.567 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC[N@H+]1C ZINC001335752321 888621942 /nfs/dbraw/zinc/62/19/42/888621942.db2.gz WXRXEISEFRYXEZ-BJDJZHNGSA-N 2 1 282.388 -0.561 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001335788959 888628607 /nfs/dbraw/zinc/62/86/07/888628607.db2.gz ONYHMKZGATVGQR-AGIUHOORSA-N 2 1 268.405 -0.182 20 0 CBADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001336095189 888692882 /nfs/dbraw/zinc/69/28/82/888692882.db2.gz LVPXLJAVNFRCFE-PMPSAXMXSA-N 3 1 294.443 -0.266 20 0 CBADMP Nc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nn1 ZINC001336116605 888698078 /nfs/dbraw/zinc/69/80/78/888698078.db2.gz HCDMUCSLTKGIHD-LBPRGKRZSA-N 2 1 262.361 -0.462 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001336568657 888797960 /nfs/dbraw/zinc/79/79/60/888797960.db2.gz FDTYWYNZYXVIKN-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001336568657 888797963 /nfs/dbraw/zinc/79/79/63/888797963.db2.gz FDTYWYNZYXVIKN-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)CC[N@H+]1C ZINC001336633890 888823899 /nfs/dbraw/zinc/82/38/99/888823899.db2.gz MMWCLWDLNGEZRR-WDEREUQCSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)NCC(C)(C)[NH3+])cc2C[NH2+]1 ZINC001336662091 888836980 /nfs/dbraw/zinc/83/69/80/888836980.db2.gz ZSFMYDPAADUBBH-MRVPVSSYSA-N 2 1 251.334 -0.158 20 0 CBADMP C[N@H+](C[C@@H](O)CNCCC(=O)Nc1ccncc1)C1CC1 ZINC001336749733 888866662 /nfs/dbraw/zinc/86/66/62/888866662.db2.gz IYXOZOCUSVTEBI-AWEZNQCLSA-N 2 1 292.383 -0.123 20 0 CBADMP C[N@@H+](C[C@@H](O)CNCCC(=O)Nc1ccncc1)C1CC1 ZINC001336749733 888866671 /nfs/dbraw/zinc/86/66/71/888866671.db2.gz IYXOZOCUSVTEBI-AWEZNQCLSA-N 2 1 292.383 -0.123 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CCC(=O)Nc1ccncc1)C1CC1 ZINC001336749733 888866688 /nfs/dbraw/zinc/86/66/88/888866688.db2.gz IYXOZOCUSVTEBI-AWEZNQCLSA-N 2 1 292.383 -0.123 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC(=O)Nc1ccncc1)C1CC1 ZINC001336749733 888866706 /nfs/dbraw/zinc/86/67/06/888866706.db2.gz IYXOZOCUSVTEBI-AWEZNQCLSA-N 2 1 292.383 -0.123 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CCNc1cnccn1)C1CC1 ZINC001336757054 888871212 /nfs/dbraw/zinc/87/12/12/888871212.db2.gz XMHNRSQHODNDOI-LBPRGKRZSA-N 2 1 265.361 -0.067 20 0 CBADMP C[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001336779114 888878399 /nfs/dbraw/zinc/87/83/99/888878399.db2.gz GSVPRZISMCISTH-ZNMIVQPWSA-N 2 1 284.448 -0.333 20 0 CBADMP C[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@H]1C[N@@H+](C)CCN1C ZINC001336779112 888878878 /nfs/dbraw/zinc/87/88/78/888878878.db2.gz GSVPRZISMCISTH-RRFJBIMHSA-N 2 1 284.448 -0.333 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)NCC2([NH3+])CC2)CC1 ZINC001336829996 888894683 /nfs/dbraw/zinc/89/46/83/888894683.db2.gz FSOKKGGBTWXGPS-UHFFFAOYSA-N 2 1 283.420 -0.196 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001336990794 888943994 /nfs/dbraw/zinc/94/39/94/888943994.db2.gz PLSGEGIXOBGTCW-NOOOWODRSA-N 2 1 268.361 -0.755 20 0 CBADMP CCC1([NH3+])CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC001337399842 888998856 /nfs/dbraw/zinc/99/88/56/888998856.db2.gz AVURQWGEMQNOGT-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001337441789 889012671 /nfs/dbraw/zinc/01/26/71/889012671.db2.gz USRUFOOIPNFGMT-CYDGBPFRSA-N 2 1 294.399 -0.417 20 0 CBADMP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCNCC[NH2+]CC1 ZINC001337838998 889085812 /nfs/dbraw/zinc/08/58/12/889085812.db2.gz YYWASHLFQFFPKY-ZDUSSCGKSA-N 2 1 293.419 -0.803 20 0 CBADMP 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 913318086 /nfs/dbraw/zinc/31/80/86/913318086.db2.gz ZCRPWIFWINGSCE-YVECIDJPSA-N 2 1 296.415 -0.314 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H]1CCC[NH2+]1 ZINC001339716158 889312864 /nfs/dbraw/zinc/31/28/64/889312864.db2.gz STTMCFPJQWCTSW-UTUOFQBUSA-N 2 1 252.362 -0.757 20 0 CBADMP C[C@@H](C(=O)Nc1ncccn1)N1CC[NH2+]CC[NH2+]CC1 ZINC001339931953 889347884 /nfs/dbraw/zinc/34/78/84/889347884.db2.gz HEERRNAYJPJXMH-NSHDSACASA-N 2 1 278.360 -0.702 20 0 CBADMP C[NH2+]C1CC(C(=O)N2CC[NH+](CCOC)CC2)C1 ZINC001340027760 889366343 /nfs/dbraw/zinc/36/63/43/889366343.db2.gz USSWEYZVLALCFK-UHFFFAOYSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001340041468 889369407 /nfs/dbraw/zinc/36/94/07/889369407.db2.gz KCVXLHOZIBXFBO-MBNYWOFBSA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]([NH3+])CO)C1 ZINC001340041182 889369772 /nfs/dbraw/zinc/36/97/72/889369772.db2.gz GLRWYIRKZLBUNV-GRYCIOLGSA-N 2 1 257.378 -0.210 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001340127720 889389103 /nfs/dbraw/zinc/38/91/03/889389103.db2.gz HDPZCQZDWIUIEU-BDAKNGLRSA-N 2 1 251.334 -0.158 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001340133438 889393030 /nfs/dbraw/zinc/39/30/30/889393030.db2.gz KQCJYGUSJMFWBR-SCZZXKLOSA-N 2 1 263.288 -0.677 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CNCC[NH3+])C1 ZINC001340152522 889397593 /nfs/dbraw/zinc/39/75/93/889397593.db2.gz XLZJYLORWJIKJJ-GFCCVEGCSA-N 2 1 272.393 -0.992 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340248235 889413342 /nfs/dbraw/zinc/41/33/42/889413342.db2.gz HRRSPHNBUUQXNQ-ZFWWWQNUSA-N 2 1 298.431 -0.757 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340248234 889415557 /nfs/dbraw/zinc/41/55/57/889415557.db2.gz HRRSPHNBUUQXNQ-UKRRQHHQSA-N 2 1 298.431 -0.757 20 0 CBADMP [NH3+][C@H](CO)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001340287093 889419383 /nfs/dbraw/zinc/41/93/83/889419383.db2.gz LOJHWUNSVXXSNL-CYZMBNFOSA-N 2 1 267.373 -0.219 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[C@H](O)C[NH3+])C1 ZINC001340356383 889425387 /nfs/dbraw/zinc/42/53/87/889425387.db2.gz BYZSYECQVYPAFD-SDDRHHMPSA-N 2 1 255.362 -0.361 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC[N@H+]1C ZINC001340473359 889437064 /nfs/dbraw/zinc/43/70/64/889437064.db2.gz PSCWFZYVTKTDMA-SDDRHHMPSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH2+]CC1(C)C ZINC001340482919 889439388 /nfs/dbraw/zinc/43/93/88/889439388.db2.gz DIPJPFGDKJNOFN-RYUDHWBXSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CC(C)(C)C[NH3+] ZINC001340486479 889440420 /nfs/dbraw/zinc/44/04/20/889440420.db2.gz UQAGSMDDJVGJHF-VXGBXAGGSA-N 2 1 268.405 -0.182 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001340615887 889454099 /nfs/dbraw/zinc/45/40/99/889454099.db2.gz PORSGIWZNOCUEA-JTQLQIEISA-N 2 1 250.302 -0.561 20 0 CBADMP Cc1sc(C[NH3+])nc1C(=O)N(C)CCOCC[NH3+] ZINC001340717749 889471406 /nfs/dbraw/zinc/47/14/06/889471406.db2.gz KLBAESJWSAATNX-UHFFFAOYSA-N 2 1 272.374 -0.042 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001340737065 889476011 /nfs/dbraw/zinc/47/60/11/889476011.db2.gz YJQCBTCSUHIRDR-KXNHARMFSA-N 2 1 252.362 -0.759 20 0 CBADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](O)C[NH3+] ZINC001340753031 889479329 /nfs/dbraw/zinc/47/93/29/889479329.db2.gz DIVUCHSDSJMOTC-NXEZZACHSA-N 2 1 254.334 -0.168 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340790477 889487729 /nfs/dbraw/zinc/48/77/29/889487729.db2.gz LBJJVKYRKIAVIG-TZMCWYRMSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@]1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@@H](O)C[NH2+]1 ZINC001340807112 889489127 /nfs/dbraw/zinc/48/91/27/889489127.db2.gz HHQVVQIDADSSSB-MPKXVKKWSA-N 2 1 267.373 -0.300 20 0 CBADMP C[C@H](CNC(=O)CNCC[NH3+])[N@H+]1CCCC[C@H]1C ZINC001340807080 889489947 /nfs/dbraw/zinc/48/99/47/889489947.db2.gz GGCOTDJDROAWBY-VXGBXAGGSA-N 2 1 256.394 -0.086 20 0 CBADMP CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001340893931 889507670 /nfs/dbraw/zinc/50/76/70/889507670.db2.gz LWEOJSGRPJHTGE-NEPJUHHUSA-N 2 1 254.378 -0.510 20 0 CBADMP O=C(NCCCCC[NH+]1CCNCC1)[C@@H]1CCC[NH2+]1 ZINC001341083227 889539506 /nfs/dbraw/zinc/53/95/06/889539506.db2.gz USABXZDFTRXVTE-ZDUSSCGKSA-N 2 1 268.405 -0.070 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001341115472 889545195 /nfs/dbraw/zinc/54/51/95/889545195.db2.gz GKEZHPYKWJSMDA-YPMHNXCESA-N 2 1 255.362 -0.217 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001341243644 889566091 /nfs/dbraw/zinc/56/60/91/889566091.db2.gz IOEYXPSZSNFECI-YNEHKIRRSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1nncn1C ZINC001448719740 913359862 /nfs/dbraw/zinc/35/98/62/913359862.db2.gz PDZQXPIGPRGKIN-NSHDSACASA-N 2 1 282.392 -0.297 20 0 CBADMP CN1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC[N@@H+](C)CC1 ZINC001341395642 889589953 /nfs/dbraw/zinc/58/99/53/889589953.db2.gz VHRMECXTABFHKE-CQSZACIVSA-N 2 1 268.405 -0.308 20 0 CBADMP [NH3+]CCNCC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC001341555820 889622750 /nfs/dbraw/zinc/62/27/50/889622750.db2.gz OGDNIRXNGOHETP-UHFFFAOYSA-N 2 1 296.440 -0.017 20 0 CBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CNCC[NH3+] ZINC001341620088 889635282 /nfs/dbraw/zinc/63/52/82/889635282.db2.gz SBRFMAVTHKADIH-GFCCVEGCSA-N 2 1 256.394 -0.133 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001341677633 889646182 /nfs/dbraw/zinc/64/61/82/889646182.db2.gz QVFMNCJKANXPNG-JSGCOSHPSA-N 2 1 269.389 -0.051 20 0 CBADMP C[C@]1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@@H](O)C[NH2+]1 ZINC001341695505 889649417 /nfs/dbraw/zinc/64/94/17/889649417.db2.gz GNLJTKJRGXCSAH-OUCADQQQSA-N 2 1 267.373 -0.300 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001341763555 889661455 /nfs/dbraw/zinc/66/14/55/889661455.db2.gz FERKXJMUGONKQX-IJLUTSLNSA-N 2 1 254.378 -0.511 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[N@H+]1C ZINC001341856291 889676252 /nfs/dbraw/zinc/67/62/52/889676252.db2.gz BMFBCOPVMUGVIA-WZRBSPASSA-N 2 1 255.362 -0.361 20 0 CBADMP O=C(NCC[N@@H+]1CCCOCC1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001341859641 889677131 /nfs/dbraw/zinc/67/71/31/889677131.db2.gz BSUCEIYFPFPRKV-OCCSQVGLSA-N 2 1 267.373 -0.033 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001341859641 889677136 /nfs/dbraw/zinc/67/71/36/889677136.db2.gz BSUCEIYFPFPRKV-OCCSQVGLSA-N 2 1 267.373 -0.033 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001341983075 889694344 /nfs/dbraw/zinc/69/43/44/889694344.db2.gz OEGDBOAUXBOTPO-FVCCEPFGSA-N 2 1 266.389 -0.382 20 0 CBADMP C[N@@H+]1CCCC[C@H]1C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001342302775 889749360 /nfs/dbraw/zinc/74/93/60/889749360.db2.gz UGKALVLMIOJNSV-GWCFXTLKSA-N 2 1 266.345 -0.534 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001342302775 889749364 /nfs/dbraw/zinc/74/93/64/889749364.db2.gz UGKALVLMIOJNSV-GWCFXTLKSA-N 2 1 266.345 -0.534 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001342414202 889769410 /nfs/dbraw/zinc/76/94/10/889769410.db2.gz CSSLRLVGLGOIKX-KKOKHZNYSA-N 2 1 252.362 -0.901 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]C[C@H]2CO)C1 ZINC001342441120 889775707 /nfs/dbraw/zinc/77/57/07/889775707.db2.gz ULXAIZSMKUBBIA-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP O=C(C[NH2+]C1CC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001342695839 889818227 /nfs/dbraw/zinc/81/82/27/889818227.db2.gz KYCQKSNHXLXLFW-STQMWFEESA-N 2 1 267.373 -0.204 20 0 CBADMP CN1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC[N@@H+](C)CC1 ZINC001342912977 889845540 /nfs/dbraw/zinc/84/55/40/889845540.db2.gz HDIXIOOPYXVLNI-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001342994128 889850965 /nfs/dbraw/zinc/85/09/65/889850965.db2.gz LUGYUBLNTBPOLH-ZJQBRPOHSA-N 2 1 269.389 -0.387 20 0 CBADMP C[NH2+][C@@H](C(=O)N[C@@H]1C[NH2+]CC1(C)C)c1cnn(C)c1 ZINC001342983826 889851518 /nfs/dbraw/zinc/85/15/18/889851518.db2.gz ZTVWXMOVLFGVQR-GHMZBOCLSA-N 2 1 265.361 -0.205 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001343025834 889859518 /nfs/dbraw/zinc/85/95/18/889859518.db2.gz NXWHQQNPDAKFHP-UWVGGRQHSA-N 2 1 265.317 -0.711 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001343394435 889898602 /nfs/dbraw/zinc/89/86/02/889898602.db2.gz ZEMBQFDNPNOUBB-AAEUAGOBSA-N 2 1 255.362 -0.441 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H](C)[C@@H](O)C[NH2+]C)C1CC1 ZINC001343419653 889903083 /nfs/dbraw/zinc/90/30/83/889903083.db2.gz FVAZNQJASDCXMT-PWSUYJOCSA-N 2 1 257.378 -0.197 20 0 CBADMP CC[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001343489045 889921599 /nfs/dbraw/zinc/92/15/99/889921599.db2.gz IWUQSTXEMCZBRW-UTUOFQBUSA-N 2 1 256.394 -0.265 20 0 CBADMP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001343474676 889915386 /nfs/dbraw/zinc/91/53/86/889915386.db2.gz XLVFXGKPVHQWRV-QNWHQSFQSA-N 2 1 267.373 -0.219 20 0 CBADMP C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001343582904 889935187 /nfs/dbraw/zinc/93/51/87/889935187.db2.gz MLNWKQHHRIODJG-OBJOEFQTSA-N 2 1 268.405 -0.264 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001343568152 889935538 /nfs/dbraw/zinc/93/55/38/889935538.db2.gz WRJKGSHBYMBPTK-QJPTWQEYSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001343568156 889936308 /nfs/dbraw/zinc/93/63/08/889936308.db2.gz WRJKGSHBYMBPTK-SRVKXCTJSA-N 2 1 255.362 -0.348 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC[NH2+]CC3)[C@@H]2C1 ZINC001343592654 889938153 /nfs/dbraw/zinc/93/81/53/889938153.db2.gz PIBCLQWRCVQQLC-XQQFMLRXSA-N 2 1 266.389 -0.652 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001344747986 890058723 /nfs/dbraw/zinc/05/87/23/890058723.db2.gz PQWFKWZMRPBKSZ-WOPDTQHZSA-N 2 1 266.389 -0.430 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC001448828451 913410822 /nfs/dbraw/zinc/41/08/22/913410822.db2.gz OVXQDDFFPDCYCD-KBPBESRZSA-N 2 1 292.383 -0.258 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC001448828451 913410833 /nfs/dbraw/zinc/41/08/33/913410833.db2.gz OVXQDDFFPDCYCD-KBPBESRZSA-N 2 1 292.383 -0.258 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccccn1 ZINC001448828452 913411497 /nfs/dbraw/zinc/41/14/97/913411497.db2.gz OVXQDDFFPDCYCD-KGLIPLIRSA-N 2 1 292.383 -0.258 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccccn1 ZINC001448828452 913411507 /nfs/dbraw/zinc/41/15/07/913411507.db2.gz OVXQDDFFPDCYCD-KGLIPLIRSA-N 2 1 292.383 -0.258 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC[N@H+]1C ZINC001344876740 890078192 /nfs/dbraw/zinc/07/81/92/890078192.db2.gz JMYHKLDHDBHZRJ-SCZZXKLOSA-N 2 1 263.345 -0.122 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001344860915 890078938 /nfs/dbraw/zinc/07/89/38/890078938.db2.gz KQNVVQWWEIMTJI-UHFFFAOYSA-N 2 1 268.361 -0.288 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC001345186367 890110545 /nfs/dbraw/zinc/11/05/45/890110545.db2.gz NUALURXEJTWZJT-WDEREUQCSA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@H](C(=O)N[C@@H]1C[NH2+]CC1(C)C)N1CC[NH+](C)CC1 ZINC001345380943 890124977 /nfs/dbraw/zinc/12/49/77/890124977.db2.gz MIGKCDOSFRXBMZ-VXGBXAGGSA-N 2 1 268.405 -0.264 20 0 CBADMP CN1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[N@H+](C)CC1 ZINC001345454316 890132077 /nfs/dbraw/zinc/13/20/77/890132077.db2.gz VLJUEILQCRYRPT-UPJWGTAASA-N 2 1 266.389 -0.557 20 0 CBADMP CN1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[N@@H+](C)CC1 ZINC001345454316 890132085 /nfs/dbraw/zinc/13/20/85/890132085.db2.gz VLJUEILQCRYRPT-UPJWGTAASA-N 2 1 266.389 -0.557 20 0 CBADMP CN1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[N@@H+](C)CC1 ZINC001345453710 890132581 /nfs/dbraw/zinc/13/25/81/890132581.db2.gz MNZSOXRQBQAVMC-IPYPFGDCSA-N 2 1 280.416 -0.180 20 0 CBADMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C1CCC([NH3+])CC1 ZINC001346016602 890194753 /nfs/dbraw/zinc/19/47/53/890194753.db2.gz DGSXJEOTPJWQAQ-UHFFFAOYSA-N 2 1 254.378 -0.380 20 0 CBADMP C[N@H+](CC(=O)N1CCNCC1)C1CCC([NH3+])CC1 ZINC001346016602 890194766 /nfs/dbraw/zinc/19/47/66/890194766.db2.gz DGSXJEOTPJWQAQ-UHFFFAOYSA-N 2 1 254.378 -0.380 20 0 CBADMP C[N@@H+](CC(=O)N1CCNCC1)C1CCC([NH3+])CC1 ZINC001346016602 890194773 /nfs/dbraw/zinc/19/47/73/890194773.db2.gz DGSXJEOTPJWQAQ-UHFFFAOYSA-N 2 1 254.378 -0.380 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC001346018226 890195725 /nfs/dbraw/zinc/19/57/25/890195725.db2.gz SRBIAISMOCNPRT-FRRDWIJNSA-N 2 1 266.389 -0.523 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001346173082 890229418 /nfs/dbraw/zinc/22/94/18/890229418.db2.gz KBGFAHUHGCAOKA-UONOGXRCSA-N 2 1 298.431 -0.541 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001346173082 890229432 /nfs/dbraw/zinc/22/94/32/890229432.db2.gz KBGFAHUHGCAOKA-UONOGXRCSA-N 2 1 298.431 -0.541 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001346173082 890229448 /nfs/dbraw/zinc/22/94/48/890229448.db2.gz KBGFAHUHGCAOKA-UONOGXRCSA-N 2 1 298.431 -0.541 20 0 CBADMP [NH3+]CCCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001346208748 890239710 /nfs/dbraw/zinc/23/97/10/890239710.db2.gz BECIXIIUCXPCER-NWDGAFQWSA-N 2 1 255.362 -0.217 20 0 CBADMP C[C@@H](NC(=O)CC1([NH3+])CC1)[C@H]1CN(C)CCN1C ZINC001346228795 890240832 /nfs/dbraw/zinc/24/08/32/890240832.db2.gz MFYPAIMCXMAMTJ-GHMZBOCLSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@@H](NC(=O)CC1([NH3+])CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001346228795 890240852 /nfs/dbraw/zinc/24/08/52/890240852.db2.gz MFYPAIMCXMAMTJ-GHMZBOCLSA-N 2 1 254.378 -0.382 20 0 CBADMP C[C@@H](NC(=O)CC1([NH3+])CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001346228795 890240872 /nfs/dbraw/zinc/24/08/72/890240872.db2.gz MFYPAIMCXMAMTJ-GHMZBOCLSA-N 2 1 254.378 -0.382 20 0 CBADMP C[N@@H+]1CCN(C(=O)CCSCCC[NH3+])[C@@H](CO)C1 ZINC001346227559 890243031 /nfs/dbraw/zinc/24/30/31/890243031.db2.gz BIYSXILTJCUTAW-LLVKDONJSA-N 2 1 275.418 -0.407 20 0 CBADMP C[N@H+]1CCN(C(=O)CCSCCC[NH3+])[C@@H](CO)C1 ZINC001346227559 890243044 /nfs/dbraw/zinc/24/30/44/890243044.db2.gz BIYSXILTJCUTAW-LLVKDONJSA-N 2 1 275.418 -0.407 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](C)CCN1C ZINC001346228922 890246417 /nfs/dbraw/zinc/24/64/17/890246417.db2.gz OBQLAUZNPILTOB-SRVKXCTJSA-N 2 1 254.378 -0.511 20 0 CBADMP C[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)CN1CC[NH+](C)CC1 ZINC001346333140 890270804 /nfs/dbraw/zinc/27/08/04/890270804.db2.gz PGGIIHMNGUWGGE-UONOGXRCSA-N 2 1 299.463 -0.735 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C[NH3+])CC(O)C3)[C@@H]2C1 ZINC001346384987 890279863 /nfs/dbraw/zinc/27/98/63/890279863.db2.gz LSQHNKNGDSJEOR-ARCGFLRYSA-N 2 1 267.373 -0.457 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])[C@H]2C1 ZINC001346386008 890280815 /nfs/dbraw/zinc/28/08/15/890280815.db2.gz YXXKEWVMSBNVFB-FPYNETTCSA-N 2 1 267.373 -0.193 20 0 CBADMP OCCOCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001346504107 890307363 /nfs/dbraw/zinc/30/73/63/890307363.db2.gz JCYULEGFKJCNLF-ZDUSSCGKSA-N 2 1 258.362 -0.162 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC(=O)N1CCCC1 ZINC001346577339 890324100 /nfs/dbraw/zinc/32/41/00/890324100.db2.gz MRWYJPVDOKTCFT-UHFFFAOYSA-N 2 1 297.403 -0.555 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C)[NH+](C)C ZINC001347047606 890398392 /nfs/dbraw/zinc/39/83/92/890398392.db2.gz MAYYMZAMIKOEOW-QJPTWQEYSA-N 2 1 254.378 -0.559 20 0 CBADMP Cn1ccnc1CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001347745129 890507167 /nfs/dbraw/zinc/50/71/67/890507167.db2.gz JUIQCQOJMJWASS-GWCFXTLKSA-N 2 1 266.345 -0.466 20 0 CBADMP Cn1ccnc1CCNC(=O)[C@]1(C)C[C@H](O)CN1C ZINC001347745129 890507174 /nfs/dbraw/zinc/50/71/74/890507174.db2.gz JUIQCQOJMJWASS-GWCFXTLKSA-N 2 1 266.345 -0.466 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC001348308652 890592428 /nfs/dbraw/zinc/59/24/28/890592428.db2.gz OUUVQCNOHDALLQ-GMTAPVOTSA-N 2 1 268.361 -0.937 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC001348308625 890593383 /nfs/dbraw/zinc/59/33/83/890593383.db2.gz OUUVQCNOHDALLQ-GARJFASQSA-N 2 1 268.361 -0.937 20 0 CBADMP NC(=O)C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC001348448117 890626374 /nfs/dbraw/zinc/62/63/74/890626374.db2.gz WEIYTKPYSFQSKI-GHMZBOCLSA-N 2 1 269.345 -0.916 20 0 CBADMP NC(=O)C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC001348448117 890626381 /nfs/dbraw/zinc/62/63/81/890626381.db2.gz WEIYTKPYSFQSKI-GHMZBOCLSA-N 2 1 269.345 -0.916 20 0 CBADMP CN1CCN(C2CC[NH+](CCOCC[NH3+])CC2)CC1 ZINC001348563500 890651174 /nfs/dbraw/zinc/65/11/74/890651174.db2.gz RQEUWUWQZIAUSB-UHFFFAOYSA-N 2 1 270.421 -0.327 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCC[NH+](C)C ZINC001348841900 890714402 /nfs/dbraw/zinc/71/44/02/890714402.db2.gz HXFMNJPKWLTMKN-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCCNC(=O)C[N@@H+](C)C(C)C ZINC001349031309 890750253 /nfs/dbraw/zinc/75/02/53/890750253.db2.gz IZCBUOBWFBYNSD-UHFFFAOYSA-N 2 1 295.387 -0.236 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCCNC(=O)C[N@H+](C)C(C)C ZINC001349031309 890750263 /nfs/dbraw/zinc/75/02/63/890750263.db2.gz IZCBUOBWFBYNSD-UHFFFAOYSA-N 2 1 295.387 -0.236 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CC[NH+](C)C ZINC001449008901 913483905 /nfs/dbraw/zinc/48/39/05/913483905.db2.gz DGSIWEJQVSVPRK-NEPJUHHUSA-N 2 1 294.403 -0.154 20 0 CBADMP C[NH2+]CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC001349152095 890764370 /nfs/dbraw/zinc/76/43/70/890764370.db2.gz FTZIUXVKPMOUHU-UHFFFAOYSA-N 2 1 279.388 -0.032 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001349808645 890893870 /nfs/dbraw/zinc/89/38/70/890893870.db2.gz QGNCMMPIPGHATG-CMPLNLGQSA-N 2 1 282.388 -0.560 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001349808164 890894209 /nfs/dbraw/zinc/89/42/09/890894209.db2.gz LUOYCIJOGLCDPM-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001350058597 890930119 /nfs/dbraw/zinc/93/01/19/890930119.db2.gz PKBCVJATNBMPEW-RWMBFGLXSA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001350646540 891020493 /nfs/dbraw/zinc/02/04/93/891020493.db2.gz KGHZTJDKXYZZKR-IJLUTSLNSA-N 2 1 254.378 -0.619 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1(O)CC[NH+](C)CC1 ZINC001351239602 891121812 /nfs/dbraw/zinc/12/18/12/891121812.db2.gz YIHLZXOURRNTEH-UHFFFAOYSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001352549729 891271407 /nfs/dbraw/zinc/27/14/07/891271407.db2.gz NQVBOMMGWPQVFB-ZDUSSCGKSA-N 2 1 266.345 -0.283 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC001352862017 891312110 /nfs/dbraw/zinc/31/21/10/891312110.db2.gz LRCDQRIDPFUSIT-AVGNSLFASA-N 2 1 268.405 -0.040 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H]1CC[NH+]1C ZINC001352985898 891336673 /nfs/dbraw/zinc/33/66/73/891336673.db2.gz MXGLPTPJDSORHZ-UTUOFQBUSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@H]1CC[N@@H+]1C ZINC001352985898 891336688 /nfs/dbraw/zinc/33/66/88/891336688.db2.gz MXGLPTPJDSORHZ-UTUOFQBUSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@H]1CC[N@H+]1C ZINC001352985898 891336706 /nfs/dbraw/zinc/33/67/06/891336706.db2.gz MXGLPTPJDSORHZ-UTUOFQBUSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)C1CC[NH2+]CC1 ZINC001352987077 891336848 /nfs/dbraw/zinc/33/68/48/891336848.db2.gz FOPKRHFHIDPNRH-AAEUAGOBSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC001353132687 891364970 /nfs/dbraw/zinc/36/49/70/891364970.db2.gz WDTKDOYTFFMKAN-NQBHXWOUSA-N 2 1 294.399 -0.394 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CC2)CC[N@@H+]1C ZINC001353184878 891375042 /nfs/dbraw/zinc/37/50/42/891375042.db2.gz YHJZEJSLDNTAKX-LLVKDONJSA-N 2 1 282.388 -0.608 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CC2)CC[N@H+]1C ZINC001353184878 891375058 /nfs/dbraw/zinc/37/50/58/891375058.db2.gz YHJZEJSLDNTAKX-LLVKDONJSA-N 2 1 282.388 -0.608 20 0 CBADMP COCCOC[C@H](O)C[NH2+][C@H]1CCc2c[nH+]cn2C1 ZINC001353242420 891387431 /nfs/dbraw/zinc/38/74/31/891387431.db2.gz WKCMFPZBINMQQJ-WCQYABFASA-N 2 1 269.345 -0.189 20 0 CBADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC001353292081 891394686 /nfs/dbraw/zinc/39/46/86/891394686.db2.gz ICQLPNAMJPYYCU-GVXVVHGQSA-N 2 1 294.399 -0.394 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001353341258 891407350 /nfs/dbraw/zinc/40/73/50/891407350.db2.gz SASQUHGEUCURSR-IJLUTSLNSA-N 2 1 269.393 -0.861 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001353367420 891413128 /nfs/dbraw/zinc/41/31/28/891413128.db2.gz QDAYZMSSVFVSHD-UHFFFAOYSA-N 2 1 285.436 -0.077 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001353491922 891434239 /nfs/dbraw/zinc/43/42/39/891434239.db2.gz CLXLRIGTXYNPKI-HAQNSBGRSA-N 2 1 272.393 -0.009 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001353580632 891450019 /nfs/dbraw/zinc/45/00/19/891450019.db2.gz AMMGELCNRLRZHL-CQSZACIVSA-N 2 1 297.447 -0.966 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1([NH3+])CCC1 ZINC001353603040 891452734 /nfs/dbraw/zinc/45/27/34/891452734.db2.gz YHMKYNNYIBAIGQ-WDEREUQCSA-N 2 1 252.362 -0.628 20 0 CBADMP C[NH2+]CCOCCNC(=O)[C@H]1[NH2+]CCc2occc21 ZINC001354395098 891575302 /nfs/dbraw/zinc/57/53/02/891575302.db2.gz BMRWYPCZLGPWNT-LBPRGKRZSA-N 2 1 267.329 -0.181 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001354450031 891580851 /nfs/dbraw/zinc/58/08/51/891580851.db2.gz MJCGUUQJHJFMJG-IUCAKERBSA-N 2 1 251.334 -0.206 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001354450028 891581874 /nfs/dbraw/zinc/58/18/74/891581874.db2.gz MJCGUUQJHJFMJG-BDAKNGLRSA-N 2 1 251.334 -0.206 20 0 CBADMP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001354524327 891590766 /nfs/dbraw/zinc/59/07/66/891590766.db2.gz VMEZXYCAXIGHTI-YNEHKIRRSA-N 2 1 266.389 -0.557 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)c1cnn(C)c1 ZINC001354696683 891609302 /nfs/dbraw/zinc/60/93/02/891609302.db2.gz QWXBGZNWWYGQBY-SCVCMEIPSA-N 2 1 265.361 -0.348 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)/C=C/CN2CCOCC2)CC1 ZINC001354771133 891615324 /nfs/dbraw/zinc/61/53/24/891615324.db2.gz PCJNUTORCFQFII-OWOJBTEDSA-N 2 1 296.415 -0.586 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)CCC2C[NH2+]C2)CC1 ZINC001354770825 891615867 /nfs/dbraw/zinc/61/58/67/891615867.db2.gz GSHGFETTZQOYEL-UHFFFAOYSA-N 3 1 254.378 -0.475 20 0 CBADMP [NH3+]C[C@@H]1C[C@@H]1C(=O)NCCCCC[NH+]1CCNCC1 ZINC001354971349 891633681 /nfs/dbraw/zinc/63/36/81/891633681.db2.gz RGNUBVSQMMNJLX-STQMWFEESA-N 2 1 268.405 -0.227 20 0 CBADMP [NH3+]C[C@H]1CC(C(=O)NCCCCC[NH+]2CCNCC2)=NO1 ZINC001354968683 891633789 /nfs/dbraw/zinc/63/37/89/891633789.db2.gz CPVBVPXQWJWUDH-GFCCVEGCSA-N 2 1 297.403 -0.718 20 0 CBADMP CN(C(=O)CC[C@@H]1CCC[N@H+]1C)C1CC([NH2+]CC(N)=O)C1 ZINC001449388178 913578315 /nfs/dbraw/zinc/57/83/15/913578315.db2.gz SCENZZJNZJQBHJ-CPCZMJQVSA-N 2 1 296.415 -0.075 20 0 CBADMP Cc1ccc(NCCNC(=O)[C@H]2C[NH2+]CCN2C)[nH+]c1 ZINC001355171512 891659559 /nfs/dbraw/zinc/65/95/59/891659559.db2.gz YPOLGLCQZATREC-GFCCVEGCSA-N 2 1 277.372 -0.178 20 0 CBADMP C[C@H](NC(=O)C(C)(C)C[NH3+])[C@H]1C[N@@H+](C)CCN1C ZINC001356253702 891744269 /nfs/dbraw/zinc/74/42/69/891744269.db2.gz ORWWZLZUXORCBM-WDEREUQCSA-N 2 1 256.394 -0.278 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001356412012 891756765 /nfs/dbraw/zinc/75/67/65/891756765.db2.gz DUJXVDJFQBYECS-NNYUYHANSA-N 2 1 255.362 -0.193 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)NCC[NH2+]C3CC3)cc2C[NH2+]1 ZINC001356499614 891772863 /nfs/dbraw/zinc/77/28/63/891772863.db2.gz SVMLLFBIDFXXCF-SECBINFHSA-N 2 1 263.345 -0.143 20 0 CBADMP CN1CCN(C[C@H](O)C[NH2+]CCCC[NH+](C)C)CC1 ZINC001356568151 891776153 /nfs/dbraw/zinc/77/61/53/891776153.db2.gz AOLGDDRNPHHDEK-CQSZACIVSA-N 2 1 272.437 -0.474 20 0 CBADMP C[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H](O)C[NH2+]1 ZINC001357369004 891878215 /nfs/dbraw/zinc/87/82/15/891878215.db2.gz TUNKCQMBLPUZTD-FMCLSXCISA-N 2 1 267.373 -0.158 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001357397079 891885982 /nfs/dbraw/zinc/88/59/82/891885982.db2.gz NYULGWNGWGIKJO-WUHRBBMRSA-N 2 1 267.373 -0.036 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)C1 ZINC001357396541 891887595 /nfs/dbraw/zinc/88/75/95/891887595.db2.gz JSLOKSSFFZIITH-LBELIVKGSA-N 2 1 267.373 -0.193 20 0 CBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CNCC[NH3+])C[C@H]1C ZINC001357414091 891889914 /nfs/dbraw/zinc/88/99/14/891889914.db2.gz LLAJFHHCKKFGSO-VXGBXAGGSA-N 2 1 256.394 -0.134 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)C12CC(C1)C[NH2+]2 ZINC001357413951 891890324 /nfs/dbraw/zinc/89/03/24/891890324.db2.gz KVWADKBRXFNUGM-UHFFFAOYSA-N 2 1 255.362 -0.177 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C12CCC(CC1)[NH2+]2 ZINC001357431786 891893398 /nfs/dbraw/zinc/89/33/98/891893398.db2.gz XULJZOBXATUZDC-LXVYMNJGSA-N 2 1 266.389 -0.367 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001357430720 891894047 /nfs/dbraw/zinc/89/40/47/891894047.db2.gz JKOQVDOWNSZIJV-OBJOEFQTSA-N 2 1 266.389 -0.652 20 0 CBADMP [NH3+]CCNCC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC001357611286 891919366 /nfs/dbraw/zinc/91/93/66/891919366.db2.gz IDHDFPXJQYGPMJ-LBPRGKRZSA-N 2 1 263.345 -0.897 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C1 ZINC001357846944 891939103 /nfs/dbraw/zinc/93/91/03/891939103.db2.gz OQMYGHISXBTTOE-QWRGUYRKSA-N 2 1 253.346 -0.425 20 0 CBADMP CC(C)[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC[N@@H+]1C ZINC001357992953 891954816 /nfs/dbraw/zinc/95/48/16/891954816.db2.gz LYRDTQWMJFNQRN-SCRDCRAPSA-N 2 1 269.389 -0.102 20 0 CBADMP CC(C)[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC[N@H+]1C ZINC001357992953 891954821 /nfs/dbraw/zinc/95/48/21/891954821.db2.gz LYRDTQWMJFNQRN-SCRDCRAPSA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001358249008 891984818 /nfs/dbraw/zinc/98/48/18/891984818.db2.gz BLCHUNHJSSEGOA-AGIUHOORSA-N 2 1 266.389 -0.428 20 0 CBADMP C[C@]1(C(=O)Nc2cc3n(n2)CC[NH2+]C3)C[NH2+]CCO1 ZINC001358437534 892003868 /nfs/dbraw/zinc/00/38/68/892003868.db2.gz RSKHZUGDPFMKPO-GFCCVEGCSA-N 2 1 265.317 -0.697 20 0 CBADMP C[NH2+]CCCC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001358444844 892008385 /nfs/dbraw/zinc/00/83/85/892008385.db2.gz SCQCGFFHKDUMHB-UHFFFAOYSA-N 2 1 256.394 -0.308 20 0 CBADMP COC[C@]1(C(=O)N2CCN(C)CC[N@@H+](C)CC2)CC[NH2+]C1 ZINC001358444765 892008767 /nfs/dbraw/zinc/00/87/67/892008767.db2.gz PPNOXBHKWSOWRZ-HNNXBMFYSA-N 2 1 298.431 -0.682 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)C[C@@H]21 ZINC001362465740 892701935 /nfs/dbraw/zinc/70/19/35/892701935.db2.gz VRNRDJDVNNXPJU-BNOWGMLFSA-N 2 1 279.384 -0.130 20 0 CBADMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[C@@H]1CCC[C@H]1O ZINC001362756808 892996539 /nfs/dbraw/zinc/99/65/39/892996539.db2.gz AQPVUKRSXRMYGQ-XJFOESAGSA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[C@@H]1CCC[C@H]1O ZINC001362756808 892996546 /nfs/dbraw/zinc/99/65/46/892996546.db2.gz AQPVUKRSXRMYGQ-XJFOESAGSA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[C@@H]1CCC[C@H]1O ZINC001362756808 892996553 /nfs/dbraw/zinc/99/65/53/892996553.db2.gz AQPVUKRSXRMYGQ-XJFOESAGSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@H](CC[NH+](C)C)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001362778972 893023751 /nfs/dbraw/zinc/02/37/51/893023751.db2.gz UTPDRESWHJDSLU-DGCLKSJQSA-N 2 1 273.377 -0.959 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)C1 ZINC001362971187 893218324 /nfs/dbraw/zinc/21/83/24/893218324.db2.gz PRAMWKQKQLKQHY-MELADBBJSA-N 2 1 280.416 -0.025 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001362990575 893238982 /nfs/dbraw/zinc/23/89/82/893238982.db2.gz KWVQPSBGIZUHFT-DGCLKSJQSA-N 2 1 283.372 -0.704 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001362990575 893238999 /nfs/dbraw/zinc/23/89/99/893238999.db2.gz KWVQPSBGIZUHFT-DGCLKSJQSA-N 2 1 283.372 -0.704 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001363008385 893255159 /nfs/dbraw/zinc/25/51/59/893255159.db2.gz ALMIFQDVWHNYBN-GFCCVEGCSA-N 2 1 275.368 -0.149 20 0 CBADMP CC[NH+](CCO)CCNC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001363008385 893255177 /nfs/dbraw/zinc/25/51/77/893255177.db2.gz ALMIFQDVWHNYBN-GFCCVEGCSA-N 2 1 275.368 -0.149 20 0 CBADMP CC[NH+](CCO)CCNC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001363008385 893255188 /nfs/dbraw/zinc/25/51/88/893255188.db2.gz ALMIFQDVWHNYBN-GFCCVEGCSA-N 2 1 275.368 -0.149 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001363032547 893283991 /nfs/dbraw/zinc/28/39/91/893283991.db2.gz XTMYWVRSMSJWAU-CHWSQXEVSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001363032547 893284005 /nfs/dbraw/zinc/28/40/05/893284005.db2.gz XTMYWVRSMSJWAU-CHWSQXEVSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001363032547 893284022 /nfs/dbraw/zinc/28/40/22/893284022.db2.gz XTMYWVRSMSJWAU-CHWSQXEVSA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001363032547 893284037 /nfs/dbraw/zinc/28/40/37/893284037.db2.gz XTMYWVRSMSJWAU-CHWSQXEVSA-N 2 1 287.379 -0.055 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001450929212 913751931 /nfs/dbraw/zinc/75/19/31/913751931.db2.gz GZPBLQXITOSXCU-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001450929217 913752481 /nfs/dbraw/zinc/75/24/81/913752481.db2.gz GZPBLQXITOSXCU-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001363123325 893379762 /nfs/dbraw/zinc/37/97/62/893379762.db2.gz HOHOKGDBMKPVRJ-ZDUSSCGKSA-N 2 1 292.383 -0.052 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)CC1 ZINC001363278133 893526302 /nfs/dbraw/zinc/52/63/02/893526302.db2.gz ZTZRUXQLKHFOER-JQWIXIFHSA-N 2 1 281.356 -0.698 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)CC1 ZINC001363278133 893526315 /nfs/dbraw/zinc/52/63/15/893526315.db2.gz ZTZRUXQLKHFOER-JQWIXIFHSA-N 2 1 281.356 -0.698 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@@]2(CO)COCC[NH2+]2)CCCC1 ZINC001363606445 893842862 /nfs/dbraw/zinc/84/28/62/893842862.db2.gz VKUYPMDCMJGPGU-CYBMUJFWSA-N 2 1 285.388 -0.672 20 0 CBADMP C[NH+]1CCC(OCC(=O)N2CC([NH2+]C3COC3)C2)CC1 ZINC001363764892 893973336 /nfs/dbraw/zinc/97/33/36/893973336.db2.gz BDYDCUZZMKXTHD-UHFFFAOYSA-N 2 1 283.372 -0.704 20 0 CBADMP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC([NH2+]C3COC3)C2)C1 ZINC001363777761 893981211 /nfs/dbraw/zinc/98/12/11/893981211.db2.gz PZTRUXGNKIOBQS-CQSZACIVSA-N 2 1 283.372 -0.968 20 0 CBADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CC([NH2+]C3COC3)C2)C1 ZINC001363777761 893981217 /nfs/dbraw/zinc/98/12/17/893981217.db2.gz PZTRUXGNKIOBQS-CQSZACIVSA-N 2 1 283.372 -0.968 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@H]2CC[NH+](C)[C@H]2C1 ZINC001363791757 893995170 /nfs/dbraw/zinc/99/51/70/893995170.db2.gz NORIIKWOSIIBCQ-MCIONIFRSA-N 2 1 271.405 -0.439 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001363791757 893995179 /nfs/dbraw/zinc/99/51/79/893995179.db2.gz NORIIKWOSIIBCQ-MCIONIFRSA-N 2 1 271.405 -0.439 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001363791757 893995185 /nfs/dbraw/zinc/99/51/85/893995185.db2.gz NORIIKWOSIIBCQ-MCIONIFRSA-N 2 1 271.405 -0.439 20 0 CBADMP CCc1nccn1CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001364060859 894168798 /nfs/dbraw/zinc/16/87/98/894168798.db2.gz TYYWBKJHWAEMAL-STQMWFEESA-N 2 1 291.399 -0.050 20 0 CBADMP CCc1[nH+]ccn1CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001364060859 894168819 /nfs/dbraw/zinc/16/88/19/894168819.db2.gz TYYWBKJHWAEMAL-STQMWFEESA-N 2 1 291.399 -0.050 20 0 CBADMP C[C@@H](O)[C@@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001364388746 894382088 /nfs/dbraw/zinc/38/20/88/894382088.db2.gz ZSMGSENVITTZRE-CHWSQXEVSA-N 2 1 272.389 -0.085 20 0 CBADMP C[C@H]([C@H](C)O)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001364388747 894382631 /nfs/dbraw/zinc/38/26/31/894382631.db2.gz ZSMGSENVITTZRE-OLZOCXBDSA-N 2 1 272.389 -0.085 20 0 CBADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)C[C@H](C)[N@@H+]1CCO ZINC001364426719 894411325 /nfs/dbraw/zinc/41/13/25/894411325.db2.gz RIRAASZIXVWEPK-VNHYZAJKSA-N 2 1 285.432 -0.172 20 0 CBADMP COC(=O)CNC(=O)CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001364777503 894609191 /nfs/dbraw/zinc/60/91/91/894609191.db2.gz VUEKIUKUIFSGBX-NEPJUHHUSA-N 2 1 283.372 -0.451 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001364777503 894609196 /nfs/dbraw/zinc/60/91/96/894609196.db2.gz VUEKIUKUIFSGBX-NEPJUHHUSA-N 2 1 283.372 -0.451 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001364777503 894609201 /nfs/dbraw/zinc/60/92/01/894609201.db2.gz VUEKIUKUIFSGBX-NEPJUHHUSA-N 2 1 283.372 -0.451 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001365121647 894768505 /nfs/dbraw/zinc/76/85/05/894768505.db2.gz LXMIMFNODUEYAH-GZBFAFLISA-N 2 1 281.400 -0.101 20 0 CBADMP CO[C@@H]1COC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001365304514 894884724 /nfs/dbraw/zinc/88/47/24/894884724.db2.gz BGFHUGLFJJFITR-NWDGAFQWSA-N 2 1 271.361 -0.846 20 0 CBADMP C[C@@H]1COCCN1CC[N@@H+]1CCN(CCO)C[C@@H]1C ZINC001365308723 894887547 /nfs/dbraw/zinc/88/75/47/894887547.db2.gz FRMMBWUEBGTPBD-UONOGXRCSA-N 2 1 271.405 -0.295 20 0 CBADMP C[C@@H]1COCCN1CC[N@H+]1CCN(CCO)C[C@@H]1C ZINC001365308723 894887567 /nfs/dbraw/zinc/88/75/67/894887567.db2.gz FRMMBWUEBGTPBD-UONOGXRCSA-N 2 1 271.405 -0.295 20 0 CBADMP C[C@H](CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCOCC1 ZINC001365310170 894895230 /nfs/dbraw/zinc/89/52/30/894895230.db2.gz LKKXZSZZDSNLNN-SOUVJXGZSA-N 2 1 283.416 -0.295 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)CC1 ZINC001365320540 894901765 /nfs/dbraw/zinc/90/17/65/894901765.db2.gz SSIKCAQYANNWSH-RYUDHWBXSA-N 2 1 281.356 -0.745 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)CC1 ZINC001365320540 894901770 /nfs/dbraw/zinc/90/17/70/894901770.db2.gz SSIKCAQYANNWSH-RYUDHWBXSA-N 2 1 281.356 -0.745 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC(C)(C)C[NH+](C)C ZINC001365328828 894903979 /nfs/dbraw/zinc/90/39/79/894903979.db2.gz KGIRNMQDDUNBBX-LBPRGKRZSA-N 2 1 285.436 -0.128 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001365825635 895128897 /nfs/dbraw/zinc/12/88/97/895128897.db2.gz UDFIRFWAKBPLML-RWMBFGLXSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001365833531 895131608 /nfs/dbraw/zinc/13/16/08/895131608.db2.gz ITPHIHPJOXGWTJ-SRVKXCTJSA-N 2 1 296.415 -0.171 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001365832253 895131998 /nfs/dbraw/zinc/13/19/98/895131998.db2.gz XHQMSXQBVTZUEC-XQQFMLRXSA-N 2 1 296.415 -0.301 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001365840650 895132028 /nfs/dbraw/zinc/13/20/28/895132028.db2.gz FFZPKADGAQJQEQ-JHJVBQTASA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)[C@H](C(=O)N(C)C1CC[NH+](CC(N)=O)CC1)[NH+](C)C ZINC001365934380 895146336 /nfs/dbraw/zinc/14/63/36/895146336.db2.gz WXUPMJMDKSIVDC-CQSZACIVSA-N 2 1 298.431 -0.019 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H]([NH2+]CCO)C1CC1 ZINC001366056803 895182563 /nfs/dbraw/zinc/18/25/63/895182563.db2.gz RKTHEAQBYUSHAP-ZDUSSCGKSA-N 2 1 285.388 -0.815 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001366102964 895191030 /nfs/dbraw/zinc/19/10/30/895191030.db2.gz NUPFXKQAWMORLG-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001366103532 895191711 /nfs/dbraw/zinc/19/17/11/895191711.db2.gz ISGQVJBKYGKZDB-STQMWFEESA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001366117486 895197352 /nfs/dbraw/zinc/19/73/52/895197352.db2.gz PPICXVKBXZAPFX-XYPYZODXSA-N 2 1 279.344 -0.826 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ncnn1C ZINC001366274108 895255744 /nfs/dbraw/zinc/25/57/44/895255744.db2.gz KZOPGOZNDJLUHN-IJLUTSLNSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ncnn1C ZINC001366274108 895255757 /nfs/dbraw/zinc/25/57/57/895255757.db2.gz KZOPGOZNDJLUHN-IJLUTSLNSA-N 2 1 294.403 -0.250 20 0 CBADMP CC[C@H]([NH2+][C@H](C)CNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001366281497 895257981 /nfs/dbraw/zinc/25/79/81/895257981.db2.gz AWLROGLCHABJNL-PWSUYJOCSA-N 2 1 284.404 -0.171 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(N)=O)C1 ZINC001366320321 895277873 /nfs/dbraw/zinc/27/78/73/895277873.db2.gz ODLPPXCXBHHJSX-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ncnn1C ZINC001366332243 895279182 /nfs/dbraw/zinc/27/91/82/895279182.db2.gz JCYADEHBPMRMGY-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ncnn1C ZINC001366332243 895279190 /nfs/dbraw/zinc/27/91/90/895279190.db2.gz JCYADEHBPMRMGY-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnnn1C ZINC001366347402 895289560 /nfs/dbraw/zinc/28/95/60/895289560.db2.gz QMEFAJFOMRGLCB-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001366396815 895308760 /nfs/dbraw/zinc/30/87/60/895308760.db2.gz XMRCNYCWMRGZQW-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001366436686 895319458 /nfs/dbraw/zinc/31/94/58/895319458.db2.gz ATIYYJOSZLQVOE-MNOVXSKESA-N 2 1 295.391 -0.711 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001366439308 895320155 /nfs/dbraw/zinc/32/01/55/895320155.db2.gz HSHUVSNVFIVGJP-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001366439308 895320171 /nfs/dbraw/zinc/32/01/71/895320171.db2.gz HSHUVSNVFIVGJP-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001366452773 895323818 /nfs/dbraw/zinc/32/38/18/895323818.db2.gz NNCKXXHOUXJCKL-WCQYABFASA-N 2 1 294.403 -0.106 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001366507464 895337906 /nfs/dbraw/zinc/33/79/06/895337906.db2.gz KPPAHKMCOCDPBV-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP CC[C@H](C(N)=O)N(C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001366537282 895361586 /nfs/dbraw/zinc/36/15/86/895361586.db2.gz NZHCMXJDWUGCGE-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001366537282 895361615 /nfs/dbraw/zinc/36/16/15/895361615.db2.gz NZHCMXJDWUGCGE-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001366537282 895361629 /nfs/dbraw/zinc/36/16/29/895361629.db2.gz NZHCMXJDWUGCGE-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001366537282 895361644 /nfs/dbraw/zinc/36/16/44/895361644.db2.gz NZHCMXJDWUGCGE-GFCCVEGCSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001366585700 895395465 /nfs/dbraw/zinc/39/54/65/895395465.db2.gz QRZIOLPVDJAHDL-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001366585700 895395482 /nfs/dbraw/zinc/39/54/82/895395482.db2.gz QRZIOLPVDJAHDL-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001366585700 895395493 /nfs/dbraw/zinc/39/54/93/895395493.db2.gz QRZIOLPVDJAHDL-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001366585700 895395508 /nfs/dbraw/zinc/39/55/08/895395508.db2.gz QRZIOLPVDJAHDL-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H]1CCN(C)C1=O ZINC001366602632 895406415 /nfs/dbraw/zinc/40/64/15/895406415.db2.gz HFUGQMVIUMULBE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCN(C)C1=O ZINC001366602632 895406427 /nfs/dbraw/zinc/40/64/27/895406427.db2.gz HFUGQMVIUMULBE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCN(C)C1=O ZINC001366602632 895406437 /nfs/dbraw/zinc/40/64/37/895406437.db2.gz HFUGQMVIUMULBE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CCNC1=O ZINC001366613804 895408615 /nfs/dbraw/zinc/40/86/15/895408615.db2.gz JJGITZXGDQMXCR-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCNC1=O ZINC001366613804 895408625 /nfs/dbraw/zinc/40/86/25/895408625.db2.gz JJGITZXGDQMXCR-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCNC1=O ZINC001366613804 895408636 /nfs/dbraw/zinc/40/86/36/895408636.db2.gz JJGITZXGDQMXCR-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)[C@H]1CCCNC1=O ZINC001366628987 895412945 /nfs/dbraw/zinc/41/29/45/895412945.db2.gz FREVKXGPKIKRFD-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(N)=O ZINC001366638354 895417876 /nfs/dbraw/zinc/41/78/76/895417876.db2.gz LRYHVGZNZBGSEP-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(N)=O ZINC001366638354 895417887 /nfs/dbraw/zinc/41/78/87/895417887.db2.gz LRYHVGZNZBGSEP-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CC(N)=O ZINC001366638354 895417892 /nfs/dbraw/zinc/41/78/92/895417892.db2.gz LRYHVGZNZBGSEP-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CC(N)=O ZINC001366638354 895417898 /nfs/dbraw/zinc/41/78/98/895417898.db2.gz LRYHVGZNZBGSEP-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)[C@H]1CCNC1=O ZINC001366644715 895417970 /nfs/dbraw/zinc/41/79/70/895417970.db2.gz QDKOPDXSMXRKCI-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)[C@H]1CCNC1=O ZINC001366644715 895417978 /nfs/dbraw/zinc/41/79/78/895417978.db2.gz QDKOPDXSMXRKCI-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)[C@H]1CCNC1=O ZINC001366644715 895417987 /nfs/dbraw/zinc/41/79/87/895417987.db2.gz QDKOPDXSMXRKCI-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H](O)COC ZINC001366639149 895419198 /nfs/dbraw/zinc/41/91/98/895419198.db2.gz FHJLGKHBMRGIKB-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@H](O)COC ZINC001366639149 895419210 /nfs/dbraw/zinc/41/92/10/895419210.db2.gz FHJLGKHBMRGIKB-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@H](O)COC ZINC001366639149 895419218 /nfs/dbraw/zinc/41/92/18/895419218.db2.gz FHJLGKHBMRGIKB-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccnc1 ZINC001366674916 895426933 /nfs/dbraw/zinc/42/69/33/895426933.db2.gz GBBQYDHFCTVUBJ-GHMZBOCLSA-N 2 1 279.344 -0.663 20 0 CBADMP CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+]1CCCC1 ZINC001366694578 895431910 /nfs/dbraw/zinc/43/19/10/895431910.db2.gz DEEOSFQRDSCUEZ-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001366700965 895434303 /nfs/dbraw/zinc/43/43/03/895434303.db2.gz WKNQMKDWJDAEDC-LLVKDONJSA-N 2 1 293.371 -0.522 20 0 CBADMP CN(C)C(=O)CN1CC[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001366700965 895434308 /nfs/dbraw/zinc/43/43/08/895434308.db2.gz WKNQMKDWJDAEDC-LLVKDONJSA-N 2 1 293.371 -0.522 20 0 CBADMP CCC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(N)=O ZINC001366725602 895439007 /nfs/dbraw/zinc/43/90/07/895439007.db2.gz LAQLSYBXTFYRPA-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(N)=O ZINC001366725602 895439016 /nfs/dbraw/zinc/43/90/16/895439016.db2.gz LAQLSYBXTFYRPA-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)CC(N)=O ZINC001366725602 895439024 /nfs/dbraw/zinc/43/90/24/895439024.db2.gz LAQLSYBXTFYRPA-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CC(N)=O ZINC001366725602 895439034 /nfs/dbraw/zinc/43/90/34/895439034.db2.gz LAQLSYBXTFYRPA-GFCCVEGCSA-N 2 1 284.404 -0.358 20 0 CBADMP CNC(=O)C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001366760567 895448884 /nfs/dbraw/zinc/44/88/84/895448884.db2.gz KCUQTRLRKPBGIB-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001366760567 895448892 /nfs/dbraw/zinc/44/88/92/895448892.db2.gz KCUQTRLRKPBGIB-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001366760567 895448902 /nfs/dbraw/zinc/44/89/02/895448902.db2.gz KCUQTRLRKPBGIB-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366760567 895448908 /nfs/dbraw/zinc/44/89/08/895448908.db2.gz KCUQTRLRKPBGIB-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O ZINC001366780755 895461016 /nfs/dbraw/zinc/46/10/16/895461016.db2.gz WULVCHLZXIGEAB-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001366832857 895469710 /nfs/dbraw/zinc/46/97/10/895469710.db2.gz HXJBNWHVAAANJY-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366873155 895471713 /nfs/dbraw/zinc/47/17/13/895471713.db2.gz QXBHTIRLGSPZLE-CHWSQXEVSA-N 2 1 296.415 -0.536 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001366891942 895478057 /nfs/dbraw/zinc/47/80/57/895478057.db2.gz AABLFIJGDJCOOU-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP CCN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001366900126 895481895 /nfs/dbraw/zinc/48/18/95/895481895.db2.gz ABFPJVYRSLXAFD-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001366900126 895481898 /nfs/dbraw/zinc/48/18/98/895481898.db2.gz ABFPJVYRSLXAFD-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP COC[C@H](O)C[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001366990613 895516570 /nfs/dbraw/zinc/51/65/70/895516570.db2.gz TYGPWWAYWZWQBH-CYBMUJFWSA-N 2 1 296.371 -0.753 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001367009108 895524290 /nfs/dbraw/zinc/52/42/90/895524290.db2.gz OKNOCWXPLOUQIV-GRYCIOLGSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001367009108 895524298 /nfs/dbraw/zinc/52/42/98/895524298.db2.gz OKNOCWXPLOUQIV-GRYCIOLGSA-N 2 1 284.404 -0.348 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001367011247 895524635 /nfs/dbraw/zinc/52/46/35/895524635.db2.gz RWRGCVBBHJJRFI-QWHCGFSZSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@H+](CC(=O)N[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001367007858 895527531 /nfs/dbraw/zinc/52/75/31/895527531.db2.gz BTAVQVGIEYZBGB-WCQYABFASA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001367007858 895527541 /nfs/dbraw/zinc/52/75/41/895527541.db2.gz BTAVQVGIEYZBGB-WCQYABFASA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+](CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001367007858 895527556 /nfs/dbraw/zinc/52/75/56/895527556.db2.gz BTAVQVGIEYZBGB-WCQYABFASA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+](CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001367007858 895527564 /nfs/dbraw/zinc/52/75/64/895527564.db2.gz BTAVQVGIEYZBGB-WCQYABFASA-N 2 1 294.399 -0.450 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COC)C1)[NH+](C)C ZINC001367030625 895535690 /nfs/dbraw/zinc/53/56/90/895535690.db2.gz MJIMVNLMANILIU-FRRDWIJNSA-N 2 1 287.404 -0.476 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001367032394 895537157 /nfs/dbraw/zinc/53/71/57/895537157.db2.gz ARGDNBXAQLCXNJ-TZMCWYRMSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001367032394 895537166 /nfs/dbraw/zinc/53/71/66/895537166.db2.gz ARGDNBXAQLCXNJ-TZMCWYRMSA-N 2 1 298.431 -0.149 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001367053600 895546331 /nfs/dbraw/zinc/54/63/31/895546331.db2.gz BNALZKSMFLZSPF-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001367053600 895546341 /nfs/dbraw/zinc/54/63/41/895546341.db2.gz BNALZKSMFLZSPF-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001367079363 895551971 /nfs/dbraw/zinc/55/19/71/895551971.db2.gz VWJZJNYHEKOWTM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001367079363 895551979 /nfs/dbraw/zinc/55/19/79/895551979.db2.gz VWJZJNYHEKOWTM-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NC ZINC001367106303 895568113 /nfs/dbraw/zinc/56/81/13/895568113.db2.gz SGOPRTVOIYDJPI-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@H](CNC(=O)CC[N@@H+](C)CC)[NH2+][C@H]1CCNC1=O ZINC001367145551 895573459 /nfs/dbraw/zinc/57/34/59/895573459.db2.gz VCAGCCXKEQYYDS-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@H](CNC(=O)CC[N@@H+](C)CC)[NH2+][C@@H]1CCNC1=O ZINC001367145901 895577294 /nfs/dbraw/zinc/57/72/94/895577294.db2.gz VCAGCCXKEQYYDS-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001367219782 895586204 /nfs/dbraw/zinc/58/62/04/895586204.db2.gz GZVAYOXMHWAPDS-LLVKDONJSA-N 2 1 279.344 -0.743 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]CC(=O)NC1CC1 ZINC001367230893 895590530 /nfs/dbraw/zinc/59/05/30/895590530.db2.gz CUKGUVUMLHHEDN-YPMHNXCESA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001367281775 895602281 /nfs/dbraw/zinc/60/22/81/895602281.db2.gz AMQIPHLXOGNACZ-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367363490 895625179 /nfs/dbraw/zinc/62/51/79/895625179.db2.gz WDYGKTKIOJWDDB-VXGBXAGGSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001367363490 895625190 /nfs/dbraw/zinc/62/51/90/895625190.db2.gz WDYGKTKIOJWDDB-VXGBXAGGSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001367365543 895625515 /nfs/dbraw/zinc/62/55/15/895625515.db2.gz ZCGZBRYYBWZOLH-WCQYABFASA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001367363488 895625926 /nfs/dbraw/zinc/62/59/26/895625926.db2.gz WDYGKTKIOJWDDB-RYUDHWBXSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001367363488 895625932 /nfs/dbraw/zinc/62/59/32/895625932.db2.gz WDYGKTKIOJWDDB-RYUDHWBXSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367406827 895631588 /nfs/dbraw/zinc/63/15/88/895631588.db2.gz QQLKTVLBASJIMM-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001367414214 895633255 /nfs/dbraw/zinc/63/32/55/895633255.db2.gz MOZYZGNMZAOEJV-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]([NH2+][C@@H](C)C(N)=O)C(C)C ZINC001367475213 895642302 /nfs/dbraw/zinc/64/23/02/895642302.db2.gz YAAYEOHUWUTQRH-RYUDHWBXSA-N 2 1 295.387 -0.204 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001367492076 895645201 /nfs/dbraw/zinc/64/52/01/895645201.db2.gz LVHVVNQBVFFHNO-OLZOCXBDSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001367546700 895661433 /nfs/dbraw/zinc/66/14/33/895661433.db2.gz SFKWSCNRQLGZNI-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001367546700 895661437 /nfs/dbraw/zinc/66/14/37/895661437.db2.gz SFKWSCNRQLGZNI-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367546700 895661439 /nfs/dbraw/zinc/66/14/39/895661439.db2.gz SFKWSCNRQLGZNI-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367546700 895661444 /nfs/dbraw/zinc/66/14/44/895661444.db2.gz SFKWSCNRQLGZNI-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)n1 ZINC001367606196 895696702 /nfs/dbraw/zinc/69/67/02/895696702.db2.gz VWBHTBVZXFOJDU-GFCCVEGCSA-N 2 1 295.387 -0.697 20 0 CBADMP C[C@@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)c1ncccn1 ZINC001367607254 895697611 /nfs/dbraw/zinc/69/76/11/895697611.db2.gz XJCPZPNFKHVRJO-NEPJUHHUSA-N 2 1 295.387 -0.444 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001367709609 895761596 /nfs/dbraw/zinc/76/15/96/895761596.db2.gz UHMBPUIPAINKPF-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001367709609 895761611 /nfs/dbraw/zinc/76/16/11/895761611.db2.gz UHMBPUIPAINKPF-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367724746 895769809 /nfs/dbraw/zinc/76/98/09/895769809.db2.gz HADDYHNTYHXKAA-WDEREUQCSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367724746 895769826 /nfs/dbraw/zinc/76/98/26/895769826.db2.gz HADDYHNTYHXKAA-WDEREUQCSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001367755749 895793207 /nfs/dbraw/zinc/79/32/07/895793207.db2.gz XPWSGKKLMXYKFV-NSHDSACASA-N 2 1 294.403 -0.249 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001367771094 895801929 /nfs/dbraw/zinc/80/19/29/895801929.db2.gz IHYNNYJXPRENLC-CMPLNLGQSA-N 2 1 293.371 -0.436 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1cnnn1C ZINC001367770474 895801952 /nfs/dbraw/zinc/80/19/52/895801952.db2.gz ANHNUPBVCOJTIB-JTQLQIEISA-N 2 1 291.359 -0.385 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C[NH+]1CCCC1 ZINC001367858890 895835136 /nfs/dbraw/zinc/83/51/36/895835136.db2.gz UVUQVMDSADSNDR-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C[NH+]1CCCC1 ZINC001367858890 895835147 /nfs/dbraw/zinc/83/51/47/895835147.db2.gz UVUQVMDSADSNDR-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CN(C)[C@@H]1CCNC1=O ZINC001367861363 895837610 /nfs/dbraw/zinc/83/76/10/895837610.db2.gz LJEVGRRTHSVZIU-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001367861363 895837619 /nfs/dbraw/zinc/83/76/19/895837619.db2.gz LJEVGRRTHSVZIU-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H]1CCNC1=O ZINC001367861363 895837624 /nfs/dbraw/zinc/83/76/24/895837624.db2.gz LJEVGRRTHSVZIU-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H]1CCNC1=O ZINC001367861363 895837629 /nfs/dbraw/zinc/83/76/29/895837629.db2.gz LJEVGRRTHSVZIU-NWDGAFQWSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CN(C)[C@@H]1CCNC1=O ZINC001367861369 895838200 /nfs/dbraw/zinc/83/82/00/895838200.db2.gz LJEVGRRTHSVZIU-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001367861369 895838225 /nfs/dbraw/zinc/83/82/25/895838225.db2.gz LJEVGRRTHSVZIU-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H]1CCNC1=O ZINC001367861369 895838231 /nfs/dbraw/zinc/83/82/31/895838231.db2.gz LJEVGRRTHSVZIU-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H]1CCNC1=O ZINC001367861369 895838242 /nfs/dbraw/zinc/83/82/42/895838242.db2.gz LJEVGRRTHSVZIU-VXGBXAGGSA-N 2 1 284.404 -0.348 20 0 CBADMP COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001367948769 895863235 /nfs/dbraw/zinc/86/32/35/895863235.db2.gz JSOCYULZQGUEBW-QWHCGFSZSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001367948769 895863245 /nfs/dbraw/zinc/86/32/45/895863245.db2.gz JSOCYULZQGUEBW-QWHCGFSZSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001367954254 895869563 /nfs/dbraw/zinc/86/95/63/895869563.db2.gz YLKCAOBSGYZVFQ-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001367954254 895869571 /nfs/dbraw/zinc/86/95/71/895869571.db2.gz YLKCAOBSGYZVFQ-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP COC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001367968129 895874295 /nfs/dbraw/zinc/87/42/95/895874295.db2.gz YKLCUNQSVHONDE-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001367968129 895874304 /nfs/dbraw/zinc/87/43/04/895874304.db2.gz YKLCUNQSVHONDE-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001368001035 895889350 /nfs/dbraw/zinc/88/93/50/895889350.db2.gz BWLNWMPMFJWQHC-JHJVBQTASA-N 2 1 299.415 -0.428 20 0 CBADMP CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001368015847 895893127 /nfs/dbraw/zinc/89/31/27/895893127.db2.gz KYRBOIDGZMCFJK-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP CCn1cc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)nn1 ZINC001368017959 895893645 /nfs/dbraw/zinc/89/36/45/895893645.db2.gz NOBACAINNSXYLM-UHFFFAOYSA-N 2 1 294.403 -0.012 20 0 CBADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001368037295 895895107 /nfs/dbraw/zinc/89/51/07/895895107.db2.gz VFRRBXLKBNAYRX-RYUDHWBXSA-N 2 1 285.388 -0.816 20 0 CBADMP Cn1cc(C[NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001368037148 895896432 /nfs/dbraw/zinc/89/64/32/895896432.db2.gz SNWORNLMMAFRHJ-NSHDSACASA-N 2 1 292.387 -0.495 20 0 CBADMP Cn1cc(C[NH2+]C2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC001368037148 895896445 /nfs/dbraw/zinc/89/64/45/895896445.db2.gz SNWORNLMMAFRHJ-NSHDSACASA-N 2 1 292.387 -0.495 20 0 CBADMP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001368124481 895919583 /nfs/dbraw/zinc/91/95/83/895919583.db2.gz NRADNVXNKMSCCT-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001368124481 895919591 /nfs/dbraw/zinc/91/95/91/895919591.db2.gz NRADNVXNKMSCCT-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001368162353 895925441 /nfs/dbraw/zinc/92/54/41/895925441.db2.gz NBLRTAKAOGYUQV-BXUZGUMPSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001368162353 895925451 /nfs/dbraw/zinc/92/54/51/895925451.db2.gz NBLRTAKAOGYUQV-BXUZGUMPSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001368152857 895925715 /nfs/dbraw/zinc/92/57/15/895925715.db2.gz LFMXHJGHTACNKT-XHDPSFHLSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001368152857 895925725 /nfs/dbraw/zinc/92/57/25/895925725.db2.gz LFMXHJGHTACNKT-XHDPSFHLSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001368152857 895925735 /nfs/dbraw/zinc/92/57/35/895925735.db2.gz LFMXHJGHTACNKT-XHDPSFHLSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001368152857 895925744 /nfs/dbraw/zinc/92/57/44/895925744.db2.gz LFMXHJGHTACNKT-XHDPSFHLSA-N 2 1 296.415 -0.075 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC(=O)NC)C1 ZINC001368178130 895930301 /nfs/dbraw/zinc/93/03/01/895930301.db2.gz MDCJPEFLEQAJGF-AWEZNQCLSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC(=O)NC)C1 ZINC001368178130 895930310 /nfs/dbraw/zinc/93/03/10/895930310.db2.gz MDCJPEFLEQAJGF-AWEZNQCLSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC)C1 ZINC001368178130 895930321 /nfs/dbraw/zinc/93/03/21/895930321.db2.gz MDCJPEFLEQAJGF-AWEZNQCLSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC)C1 ZINC001368178130 895930333 /nfs/dbraw/zinc/93/03/33/895930333.db2.gz MDCJPEFLEQAJGF-AWEZNQCLSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001368235311 895934793 /nfs/dbraw/zinc/93/47/93/895934793.db2.gz AFBRYCNODJNZEA-CYBMUJFWSA-N 2 1 299.415 -0.425 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[NH+](CC3CC3)C2)C1 ZINC001368244834 895938512 /nfs/dbraw/zinc/93/85/12/895938512.db2.gz FXYPYYDVJRNRRH-ZFWWWQNUSA-N 2 1 297.399 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[NH+](CC3CC3)C2)C1 ZINC001368244834 895938528 /nfs/dbraw/zinc/93/85/28/895938528.db2.gz FXYPYYDVJRNRRH-ZFWWWQNUSA-N 2 1 297.399 -0.720 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CC3CC3)C2)C1 ZINC001368244834 895938541 /nfs/dbraw/zinc/93/85/41/895938541.db2.gz FXYPYYDVJRNRRH-ZFWWWQNUSA-N 2 1 297.399 -0.720 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC3CC3)C2)C1 ZINC001368244834 895938557 /nfs/dbraw/zinc/93/85/57/895938557.db2.gz FXYPYYDVJRNRRH-ZFWWWQNUSA-N 2 1 297.399 -0.720 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001368255039 895944268 /nfs/dbraw/zinc/94/42/68/895944268.db2.gz ITPGTEZZLBWBTI-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001368255039 895944275 /nfs/dbraw/zinc/94/42/75/895944275.db2.gz ITPGTEZZLBWBTI-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP CC(C)[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001368253506 895946208 /nfs/dbraw/zinc/94/62/08/895946208.db2.gz RAUSHFQEFUVVEP-TZMCWYRMSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001368253506 895946215 /nfs/dbraw/zinc/94/62/15/895946215.db2.gz RAUSHFQEFUVVEP-TZMCWYRMSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001368253506 895946218 /nfs/dbraw/zinc/94/62/18/895946218.db2.gz RAUSHFQEFUVVEP-TZMCWYRMSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001368253506 895946228 /nfs/dbraw/zinc/94/62/28/895946228.db2.gz RAUSHFQEFUVVEP-TZMCWYRMSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001368253506 895946238 /nfs/dbraw/zinc/94/62/38/895946238.db2.gz RAUSHFQEFUVVEP-TZMCWYRMSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](CCF)C1)[NH+](C)C ZINC001368252165 895946266 /nfs/dbraw/zinc/94/62/66/895946266.db2.gz FNLMASCYNVQDCJ-DGCLKSJQSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CCF)C1)[NH+](C)C ZINC001368252165 895946279 /nfs/dbraw/zinc/94/62/79/895946279.db2.gz FNLMASCYNVQDCJ-DGCLKSJQSA-N 2 1 275.368 -0.151 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001368262545 895948224 /nfs/dbraw/zinc/94/82/24/895948224.db2.gz PQKMMOFHHMKUIG-GXTWGEPZSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001368262545 895948228 /nfs/dbraw/zinc/94/82/28/895948228.db2.gz PQKMMOFHHMKUIG-GXTWGEPZSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001368262545 895948242 /nfs/dbraw/zinc/94/82/42/895948242.db2.gz PQKMMOFHHMKUIG-GXTWGEPZSA-N 2 1 285.388 -0.984 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001368262552 895951738 /nfs/dbraw/zinc/95/17/38/895951738.db2.gz PQKMMOFHHMKUIG-JSGCOSHPSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001368262552 895951747 /nfs/dbraw/zinc/95/17/47/895951747.db2.gz PQKMMOFHHMKUIG-JSGCOSHPSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001368262552 895951756 /nfs/dbraw/zinc/95/17/56/895951756.db2.gz PQKMMOFHHMKUIG-JSGCOSHPSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+](C)CCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001368504823 896023143 /nfs/dbraw/zinc/02/31/43/896023143.db2.gz KXARZASWSNJVDK-ZDUSSCGKSA-N 2 1 296.371 -0.057 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001368565122 896037588 /nfs/dbraw/zinc/03/75/88/896037588.db2.gz DDMHHFVFDXVOOG-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH+](C)[C@H]1CCNC1=O ZINC001368569712 896038394 /nfs/dbraw/zinc/03/83/94/896038394.db2.gz TZOOZJLJBMVOLU-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CCC[N@H+](C)[C@H]1CCNC1=O ZINC001368569712 896038404 /nfs/dbraw/zinc/03/84/04/896038404.db2.gz TZOOZJLJBMVOLU-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CCC[N@@H+](C)[C@H]1CCNC1=O ZINC001368569712 896038417 /nfs/dbraw/zinc/03/84/17/896038417.db2.gz TZOOZJLJBMVOLU-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001368609087 896044031 /nfs/dbraw/zinc/04/40/31/896044031.db2.gz BYGRZQOMPTWEOW-OCCSQVGLSA-N 2 1 285.388 -0.984 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001368606131 896044772 /nfs/dbraw/zinc/04/47/72/896044772.db2.gz FRUKKKRCINVGMT-AVGNSLFASA-N 2 1 298.431 -0.055 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+][C@@H]1CCN(C)C1=O ZINC001368728050 896065316 /nfs/dbraw/zinc/06/53/16/896065316.db2.gz GWNRTWRQTLKDHM-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001368727854 896066318 /nfs/dbraw/zinc/06/63/18/896066318.db2.gz FEAJCDRTZGMLQT-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001368747123 896072914 /nfs/dbraw/zinc/07/29/14/896072914.db2.gz DXPQKMWAXOKPMK-QWHCGFSZSA-N 2 1 294.403 -0.286 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368797379 896084931 /nfs/dbraw/zinc/08/49/31/896084931.db2.gz NTWWJLDJXUTSPR-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368797379 896084941 /nfs/dbraw/zinc/08/49/41/896084941.db2.gz NTWWJLDJXUTSPR-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001368825214 896091274 /nfs/dbraw/zinc/09/12/74/896091274.db2.gz KVSIGGJBEHOAAX-HIFPTAJRSA-N 2 1 298.431 -0.055 20 0 CBADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(N)=O ZINC001369253146 896182161 /nfs/dbraw/zinc/18/21/61/896182161.db2.gz SFIUJUISYQLEIW-JTQLQIEISA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001369299848 896190589 /nfs/dbraw/zinc/19/05/89/896190589.db2.gz CGZFTDUUBCHLCR-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001369307557 896195382 /nfs/dbraw/zinc/19/53/82/896195382.db2.gz HTVYYJFRSQLLPU-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCn1cncn1 ZINC001369307443 896196093 /nfs/dbraw/zinc/19/60/93/896196093.db2.gz QVPQXTDMJQMUTO-QWHCGFSZSA-N 2 1 294.403 -0.334 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369309615 896197827 /nfs/dbraw/zinc/19/78/27/896197827.db2.gz VHYMILXPSMRXJW-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001369319392 896211763 /nfs/dbraw/zinc/21/17/63/896211763.db2.gz LGSDJLSAEACDQP-OLZOCXBDSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001369319392 896211777 /nfs/dbraw/zinc/21/17/77/896211777.db2.gz LGSDJLSAEACDQP-OLZOCXBDSA-N 2 1 296.371 -0.356 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCC(F)(F)F)C1 ZINC001369386264 896250502 /nfs/dbraw/zinc/25/05/02/896250502.db2.gz SHCAYRATGBYEQR-ZJUUUORDSA-N 2 1 297.321 -0.043 20 0 CBADMP C[C@@H]1[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CC[NH+](C)C ZINC001369396772 896256190 /nfs/dbraw/zinc/25/61/90/896256190.db2.gz SRDKMMZYMVSPNF-DGCLKSJQSA-N 2 1 294.403 -0.154 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001369403169 896260241 /nfs/dbraw/zinc/26/02/41/896260241.db2.gz OTRVKBXHHBQGCW-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnon1)[NH+](C)C ZINC001369474442 896285443 /nfs/dbraw/zinc/28/54/43/896285443.db2.gz KCIGELLIFDUYAM-RYUDHWBXSA-N 2 1 299.375 -0.681 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH2+]C(C)C)C1 ZINC001369493615 896294317 /nfs/dbraw/zinc/29/43/17/896294317.db2.gz YHUQPLTYOWQEEH-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH2+]C(C)C)C1 ZINC001369493615 896294331 /nfs/dbraw/zinc/29/43/31/896294331.db2.gz YHUQPLTYOWQEEH-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369515414 896309653 /nfs/dbraw/zinc/30/96/53/896309653.db2.gz NUZONPIMRJEXKP-CHWSQXEVSA-N 2 1 287.404 -0.786 20 0 CBADMP CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001369572373 896316692 /nfs/dbraw/zinc/31/66/92/896316692.db2.gz OZNKQTPTQULRJK-BPCQOVAHSA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001370042140 896389695 /nfs/dbraw/zinc/38/96/95/896389695.db2.gz QTYUWRSFBDIJIH-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC001370042140 896389708 /nfs/dbraw/zinc/38/97/08/896389708.db2.gz QTYUWRSFBDIJIH-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001370042140 896389724 /nfs/dbraw/zinc/38/97/24/896389724.db2.gz QTYUWRSFBDIJIH-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001370045928 896392534 /nfs/dbraw/zinc/39/25/34/896392534.db2.gz OIVCSHFRTJEEEY-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001370045928 896392549 /nfs/dbraw/zinc/39/25/49/896392549.db2.gz OIVCSHFRTJEEEY-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001370045928 896392563 /nfs/dbraw/zinc/39/25/63/896392563.db2.gz OIVCSHFRTJEEEY-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001370045928 896392573 /nfs/dbraw/zinc/39/25/73/896392573.db2.gz OIVCSHFRTJEEEY-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001370530616 896441457 /nfs/dbraw/zinc/44/14/57/896441457.db2.gz DVVPTFQIQMPDLQ-JHJVBQTASA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001371350639 896597280 /nfs/dbraw/zinc/59/72/80/896597280.db2.gz QLPWOHYXYBEOSI-ZYHUDNBSSA-N 2 1 297.407 -0.609 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)NC ZINC001371412234 896606377 /nfs/dbraw/zinc/60/63/77/896606377.db2.gz WUWINNXGBSVVKR-GHMZBOCLSA-N 2 1 272.393 -0.443 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001371426283 896610059 /nfs/dbraw/zinc/61/00/59/896610059.db2.gz NTVJMUWDXGNWCN-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001371426283 896610069 /nfs/dbraw/zinc/61/00/69/896610069.db2.gz NTVJMUWDXGNWCN-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001371523071 896628877 /nfs/dbraw/zinc/62/88/77/896628877.db2.gz SMPJHXDWBKZUDU-RYUDHWBXSA-N 2 1 293.371 -0.483 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001371538308 896633649 /nfs/dbraw/zinc/63/36/49/896633649.db2.gz GVGQGQXCVBODPK-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001371610761 896641147 /nfs/dbraw/zinc/64/11/47/896641147.db2.gz DEROBKBGQCOASI-LBPRGKRZSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001371661507 896647317 /nfs/dbraw/zinc/64/73/17/896647317.db2.gz WONUTKZRMHGEQF-NWDGAFQWSA-N 2 1 284.404 -0.171 20 0 CBADMP CN1CCC[C@@H]([N@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001372146855 896737418 /nfs/dbraw/zinc/73/74/18/896737418.db2.gz CHXHIEFOZOQJAJ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CN1CCC[C@@H]([N@@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001372146855 896737428 /nfs/dbraw/zinc/73/74/28/896737428.db2.gz CHXHIEFOZOQJAJ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](C)[C@H]1CCN(CC)C1=O)[NH+](C)C ZINC001372189987 896745685 /nfs/dbraw/zinc/74/56/85/896745685.db2.gz PPGYTVGHMBUJNT-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@H]1CCN(CC)C1=O)[NH+](C)C ZINC001372189987 896745697 /nfs/dbraw/zinc/74/56/97/896745697.db2.gz PPGYTVGHMBUJNT-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCn1cccn1 ZINC001372223624 896749519 /nfs/dbraw/zinc/74/95/19/896749519.db2.gz ZUQFRYGPNMVEOP-CYBMUJFWSA-N 2 1 279.388 -0.117 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCn1cccn1 ZINC001372223624 896749525 /nfs/dbraw/zinc/74/95/25/896749525.db2.gz ZUQFRYGPNMVEOP-CYBMUJFWSA-N 2 1 279.388 -0.117 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCn1cccn1 ZINC001372223624 896749531 /nfs/dbraw/zinc/74/95/31/896749531.db2.gz ZUQFRYGPNMVEOP-CYBMUJFWSA-N 2 1 279.388 -0.117 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CCCO)C1 ZINC001372232482 896753826 /nfs/dbraw/zinc/75/38/26/896753826.db2.gz FMTKDKMLPYBGHT-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CCCO)C1 ZINC001372232482 896753838 /nfs/dbraw/zinc/75/38/38/896753838.db2.gz FMTKDKMLPYBGHT-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)CCCO)C1 ZINC001372232482 896753851 /nfs/dbraw/zinc/75/38/51/896753851.db2.gz FMTKDKMLPYBGHT-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)CCCO)C1 ZINC001372232482 896753856 /nfs/dbraw/zinc/75/38/56/896753856.db2.gz FMTKDKMLPYBGHT-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001372267343 896758646 /nfs/dbraw/zinc/75/86/46/896758646.db2.gz NKXBAUPMDSTFQI-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001372301145 896768862 /nfs/dbraw/zinc/76/88/62/896768862.db2.gz IEROHRZJSLPRJF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N(C)C)[NH+](C)C ZINC001372520384 896798459 /nfs/dbraw/zinc/79/84/59/896798459.db2.gz AXGQSPVTIKOSDH-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N(C)C)[NH+](C)C ZINC001372520384 896798467 /nfs/dbraw/zinc/79/84/67/896798467.db2.gz AXGQSPVTIKOSDH-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001372547416 896808527 /nfs/dbraw/zinc/80/85/27/896808527.db2.gz DQQPOECFDVMXQR-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC)[NH+](C)C ZINC001372574290 896813290 /nfs/dbraw/zinc/81/32/90/896813290.db2.gz ZUOBJOLAOSDFMS-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC)[NH+](C)C ZINC001372574290 896813304 /nfs/dbraw/zinc/81/33/04/896813304.db2.gz ZUOBJOLAOSDFMS-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001372614731 896825972 /nfs/dbraw/zinc/82/59/72/896825972.db2.gz UDQXZPPNIQIUNF-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001372622095 896826167 /nfs/dbraw/zinc/82/61/67/896826167.db2.gz XWZFABZFCXKCDO-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001372657360 896829269 /nfs/dbraw/zinc/82/92/69/896829269.db2.gz YNRLZJWJDUJRJN-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001372651036 896831021 /nfs/dbraw/zinc/83/10/21/896831021.db2.gz NILDHDWBYXLZDX-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001372657368 896831270 /nfs/dbraw/zinc/83/12/70/896831270.db2.gz YNRLZJWJDUJRJN-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC ZINC001372683929 896833194 /nfs/dbraw/zinc/83/31/94/896833194.db2.gz KXDCOHJWTQWKMO-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC ZINC001372683929 896833215 /nfs/dbraw/zinc/83/32/15/896833215.db2.gz KXDCOHJWTQWKMO-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)NC ZINC001372683929 896833233 /nfs/dbraw/zinc/83/32/33/896833233.db2.gz KXDCOHJWTQWKMO-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)NC ZINC001372683929 896833247 /nfs/dbraw/zinc/83/32/47/896833247.db2.gz KXDCOHJWTQWKMO-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC ZINC001372683925 896833442 /nfs/dbraw/zinc/83/34/42/896833442.db2.gz KXDCOHJWTQWKMO-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC ZINC001372683925 896833452 /nfs/dbraw/zinc/83/34/52/896833452.db2.gz KXDCOHJWTQWKMO-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)NC ZINC001372683925 896833464 /nfs/dbraw/zinc/83/34/64/896833464.db2.gz KXDCOHJWTQWKMO-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)NC ZINC001372683925 896833475 /nfs/dbraw/zinc/83/34/75/896833475.db2.gz KXDCOHJWTQWKMO-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC001372940699 896906821 /nfs/dbraw/zinc/90/68/21/896906821.db2.gz ZQRVNZGJLGAANH-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H]([NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001372954587 896911234 /nfs/dbraw/zinc/91/12/34/896911234.db2.gz XFTOYXIBRGLABW-LLVKDONJSA-N 2 1 281.360 -0.497 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@@H]2CCNC2=O)C1 ZINC001373383006 896990193 /nfs/dbraw/zinc/99/01/93/896990193.db2.gz QVELECNETHZMPE-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@@H]2CCNC2=O)C1 ZINC001373383006 896990207 /nfs/dbraw/zinc/99/02/07/896990207.db2.gz QVELECNETHZMPE-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001373383006 896990220 /nfs/dbraw/zinc/99/02/20/896990220.db2.gz QVELECNETHZMPE-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001373383006 896990232 /nfs/dbraw/zinc/99/02/32/896990232.db2.gz QVELECNETHZMPE-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001373394214 896996380 /nfs/dbraw/zinc/99/63/80/896996380.db2.gz VYTSFSXNPFMXLI-MELADBBJSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001373453987 897019660 /nfs/dbraw/zinc/01/96/60/897019660.db2.gz GHLMQQKNGPVOKB-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001373536086 897045562 /nfs/dbraw/zinc/04/55/62/897045562.db2.gz DQJFJNYITCFKTA-AAEUAGOBSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001373536086 897045576 /nfs/dbraw/zinc/04/55/76/897045576.db2.gz DQJFJNYITCFKTA-AAEUAGOBSA-N 2 1 296.415 -0.360 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001373612804 897071388 /nfs/dbraw/zinc/07/13/88/897071388.db2.gz AAJHKJZVKCYBKU-AVGNSLFASA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001373612804 897071403 /nfs/dbraw/zinc/07/14/03/897071403.db2.gz AAJHKJZVKCYBKU-AVGNSLFASA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001373612804 897071415 /nfs/dbraw/zinc/07/14/15/897071415.db2.gz AAJHKJZVKCYBKU-AVGNSLFASA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001373615115 897072156 /nfs/dbraw/zinc/07/21/56/897072156.db2.gz NQOWIXFBHZRZDR-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001373637211 897086785 /nfs/dbraw/zinc/08/67/85/897086785.db2.gz HTSUSVYHZDRIRR-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001373679567 897094235 /nfs/dbraw/zinc/09/42/35/897094235.db2.gz TWHAZZLERISJSE-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001373679567 897094244 /nfs/dbraw/zinc/09/42/44/897094244.db2.gz TWHAZZLERISJSE-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001373679567 897094255 /nfs/dbraw/zinc/09/42/55/897094255.db2.gz TWHAZZLERISJSE-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001373711337 897098934 /nfs/dbraw/zinc/09/89/34/897098934.db2.gz FSYLWDUSIHINAK-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1 ZINC001373861988 897133492 /nfs/dbraw/zinc/13/34/92/897133492.db2.gz QKOAWKDXLXIXHA-LBPRGKRZSA-N 2 1 296.415 -0.168 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001373896742 897134519 /nfs/dbraw/zinc/13/45/19/897134519.db2.gz JOCYMSYIBLYSEV-NHYWBVRUSA-N 2 1 296.415 -0.312 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001373974002 897143573 /nfs/dbraw/zinc/14/35/73/897143573.db2.gz LPTVIQNMZWCACM-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001373966872 897144933 /nfs/dbraw/zinc/14/49/33/897144933.db2.gz ZZLQKAJHXXGTFM-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001374333757 897217170 /nfs/dbraw/zinc/21/71/70/897217170.db2.gz ZMMUBOXDKHMFQK-NEPJUHHUSA-N 2 1 284.404 -0.348 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001374531027 897248911 /nfs/dbraw/zinc/24/89/11/897248911.db2.gz ZHTJWEDFLGNVLJ-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001374531027 897248927 /nfs/dbraw/zinc/24/89/27/897248927.db2.gz ZHTJWEDFLGNVLJ-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001374553814 897254250 /nfs/dbraw/zinc/25/42/50/897254250.db2.gz BJFIMYVPPORYNM-LBPRGKRZSA-N 2 1 284.404 -0.584 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001374553814 897254269 /nfs/dbraw/zinc/25/42/69/897254269.db2.gz BJFIMYVPPORYNM-LBPRGKRZSA-N 2 1 284.404 -0.584 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374553814 897254284 /nfs/dbraw/zinc/25/42/84/897254284.db2.gz BJFIMYVPPORYNM-LBPRGKRZSA-N 2 1 284.404 -0.584 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374553814 897254298 /nfs/dbraw/zinc/25/42/98/897254298.db2.gz BJFIMYVPPORYNM-LBPRGKRZSA-N 2 1 284.404 -0.584 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001374560707 897258927 /nfs/dbraw/zinc/25/89/27/897258927.db2.gz DYVNUJPAOSHUTL-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001374555216 897259119 /nfs/dbraw/zinc/25/91/19/897259119.db2.gz BYFQWGJWCPDZQU-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001374555216 897259133 /nfs/dbraw/zinc/25/91/33/897259133.db2.gz BYFQWGJWCPDZQU-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001374593682 897291144 /nfs/dbraw/zinc/29/11/44/897291144.db2.gz ZCEZOOVXSVZILM-STQMWFEESA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)o1 ZINC001374643990 897325609 /nfs/dbraw/zinc/32/56/09/897325609.db2.gz RUFHVBCMRQXYHF-NSHDSACASA-N 2 1 284.360 -0.499 20 0 CBADMP CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001374660362 897332995 /nfs/dbraw/zinc/33/29/95/897332995.db2.gz XXHZUGHWMRUWPN-AAEUAGOBSA-N 2 1 280.372 -0.159 20 0 CBADMP CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001374660366 897335280 /nfs/dbraw/zinc/33/52/80/897335280.db2.gz XXHZUGHWMRUWPN-WCQYABFASA-N 2 1 280.372 -0.159 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001374670356 897338494 /nfs/dbraw/zinc/33/84/94/897338494.db2.gz SVXKLQGEEXBJMQ-CYBMUJFWSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001374670356 897338509 /nfs/dbraw/zinc/33/85/09/897338509.db2.gz SVXKLQGEEXBJMQ-CYBMUJFWSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001374670356 897338525 /nfs/dbraw/zinc/33/85/25/897338525.db2.gz SVXKLQGEEXBJMQ-CYBMUJFWSA-N 2 1 296.415 -0.252 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]Cc1cscn1 ZINC001374680283 897343554 /nfs/dbraw/zinc/34/35/54/897343554.db2.gz BWEAXXICUVKAGP-LBPRGKRZSA-N 2 1 298.412 -0.194 20 0 CBADMP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374752817 897373541 /nfs/dbraw/zinc/37/35/41/897373541.db2.gz MMLNQTIXYRQEQP-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001374752611 897376493 /nfs/dbraw/zinc/37/64/93/897376493.db2.gz TVQSWRVPWZDJIS-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001374772313 897383118 /nfs/dbraw/zinc/38/31/18/897383118.db2.gz QLSADQHGWJLBBB-PWSUYJOCSA-N 2 1 282.388 -0.547 20 0 CBADMP CCn1nncc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001374923130 897435659 /nfs/dbraw/zinc/43/56/59/897435659.db2.gz ZVBXLLAVQZGODW-WCQYABFASA-N 2 1 294.403 -0.014 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001375153644 897486488 /nfs/dbraw/zinc/48/64/88/897486488.db2.gz LCHNXDIPPKCWDQ-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001375435663 897542259 /nfs/dbraw/zinc/54/22/59/897542259.db2.gz JEMGTTXPZQZUHK-VXGBXAGGSA-N 2 1 294.399 -0.273 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001375514443 897558123 /nfs/dbraw/zinc/55/81/23/897558123.db2.gz VFHIBFRSNJFGHL-UTUOFQBUSA-N 2 1 282.388 -0.702 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001375515844 897559540 /nfs/dbraw/zinc/55/95/40/897559540.db2.gz OIAUQJRYSFORBT-PHIMTYICSA-N 2 1 279.344 -0.839 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001375559450 897566161 /nfs/dbraw/zinc/56/61/61/897566161.db2.gz VUGFYXZALYENKP-HAQNSBGRSA-N 2 1 284.404 -0.441 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH+](CCO)CCO)C2)C1 ZINC001375624103 897577484 /nfs/dbraw/zinc/57/74/84/897577484.db2.gz XGEQNNYWALHSBG-KGLIPLIRSA-N 2 1 299.415 -0.784 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001375645240 897581635 /nfs/dbraw/zinc/58/16/35/897581635.db2.gz RJCUVZUVPVQEOG-HNNXBMFYSA-N 2 1 296.415 -0.262 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001375645240 897581645 /nfs/dbraw/zinc/58/16/45/897581645.db2.gz RJCUVZUVPVQEOG-HNNXBMFYSA-N 2 1 296.415 -0.262 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001375645240 897581655 /nfs/dbraw/zinc/58/16/55/897581655.db2.gz RJCUVZUVPVQEOG-HNNXBMFYSA-N 2 1 296.415 -0.262 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001375720950 897596008 /nfs/dbraw/zinc/59/60/08/897596008.db2.gz SYJKIGCEJVWSGB-OCCSQVGLSA-N 2 1 299.415 -0.522 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001375720950 897596016 /nfs/dbraw/zinc/59/60/16/897596016.db2.gz SYJKIGCEJVWSGB-OCCSQVGLSA-N 2 1 299.415 -0.522 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001375769278 897607644 /nfs/dbraw/zinc/60/76/44/897607644.db2.gz XPRSKYWHJNPCKI-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001375834746 897610333 /nfs/dbraw/zinc/61/03/33/897610333.db2.gz GWTMPECIIXWKSA-IUODEOHRSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001375834746 897610338 /nfs/dbraw/zinc/61/03/38/897610338.db2.gz GWTMPECIIXWKSA-IUODEOHRSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001375835395 897615315 /nfs/dbraw/zinc/61/53/15/897615315.db2.gz GWTMPECIIXWKSA-SWLSCSKDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001375835395 897615320 /nfs/dbraw/zinc/61/53/20/897615320.db2.gz GWTMPECIIXWKSA-SWLSCSKDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001375838346 897615441 /nfs/dbraw/zinc/61/54/41/897615441.db2.gz PQKCRXAGUUOPFD-BXUZGUMPSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001375838346 897615449 /nfs/dbraw/zinc/61/54/49/897615449.db2.gz PQKCRXAGUUOPFD-BXUZGUMPSA-N 2 1 284.404 -0.217 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001375856558 897616862 /nfs/dbraw/zinc/61/68/62/897616862.db2.gz UPUQBFSMOGTAOT-WFASDCNBSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001375856558 897616870 /nfs/dbraw/zinc/61/68/70/897616870.db2.gz UPUQBFSMOGTAOT-WFASDCNBSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001375856558 897616877 /nfs/dbraw/zinc/61/68/77/897616877.db2.gz UPUQBFSMOGTAOT-WFASDCNBSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001375856558 897616882 /nfs/dbraw/zinc/61/68/82/897616882.db2.gz UPUQBFSMOGTAOT-WFASDCNBSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376076755 897647312 /nfs/dbraw/zinc/64/73/12/897647312.db2.gz XGTKYILKSIIYRG-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376076755 897647326 /nfs/dbraw/zinc/64/73/26/897647326.db2.gz XGTKYILKSIIYRG-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCOC)C1)[NH+](C)C ZINC001376100118 897653260 /nfs/dbraw/zinc/65/32/60/897653260.db2.gz ZSPPETSDOXMCHJ-JSGCOSHPSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376151048 897675362 /nfs/dbraw/zinc/67/53/62/897675362.db2.gz LTCJHXLNJZNXOP-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376151048 897675368 /nfs/dbraw/zinc/67/53/68/897675368.db2.gz LTCJHXLNJZNXOP-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP CCCNC(=O)CN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376155953 897676138 /nfs/dbraw/zinc/67/61/38/897676138.db2.gz QYJDJZDGGFNXLU-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001376279041 897701183 /nfs/dbraw/zinc/70/11/83/897701183.db2.gz HDFZEPWFGJHHAR-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376279041 897701193 /nfs/dbraw/zinc/70/11/93/897701193.db2.gz HDFZEPWFGJHHAR-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376279041 897701206 /nfs/dbraw/zinc/70/12/06/897701206.db2.gz HDFZEPWFGJHHAR-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001376312340 897709053 /nfs/dbraw/zinc/70/90/53/897709053.db2.gz DOFFDFCADHOQOI-ZOBORPQBSA-N 2 1 299.415 -0.476 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001376331506 897712183 /nfs/dbraw/zinc/71/21/83/897712183.db2.gz OJWVAXVFYJOHAJ-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376348578 897716504 /nfs/dbraw/zinc/71/65/04/897716504.db2.gz XZMPPCAULNNGMO-AGIUHOORSA-N 2 1 285.388 -0.864 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001376397488 897722436 /nfs/dbraw/zinc/72/24/36/897722436.db2.gz DGINCWAWZSBZQK-IJLUTSLNSA-N 2 1 284.404 -0.171 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376557003 897776010 /nfs/dbraw/zinc/77/60/10/897776010.db2.gz LPXUZDZUXFJIJV-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CC(C)[NH2+]CCN(CCO)C(=O)CC[NH+]1CCOCC1 ZINC001376552525 897776487 /nfs/dbraw/zinc/77/64/87/897776487.db2.gz VQTPGHJVUYUEEO-UHFFFAOYSA-N 2 1 287.404 -0.472 20 0 CBADMP Cn1cc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCC2)nn1 ZINC001376777839 897841716 /nfs/dbraw/zinc/84/17/16/897841716.db2.gz VIEGYMKVBGHAPQ-UHFFFAOYSA-N 2 1 294.403 -0.105 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001376803971 897852086 /nfs/dbraw/zinc/85/20/86/897852086.db2.gz SYJKVWLMCYTLTO-NEPJUHHUSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001376851538 897868591 /nfs/dbraw/zinc/86/85/91/897868591.db2.gz DKNLWXJTRBCBFQ-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001376851538 897868605 /nfs/dbraw/zinc/86/86/05/897868605.db2.gz DKNLWXJTRBCBFQ-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001376871720 897875920 /nfs/dbraw/zinc/87/59/20/897875920.db2.gz BAQLQBVMMCUHEJ-WDEREUQCSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001376871720 897875922 /nfs/dbraw/zinc/87/59/22/897875922.db2.gz BAQLQBVMMCUHEJ-WDEREUQCSA-N 2 1 280.376 -0.639 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376922612 897890810 /nfs/dbraw/zinc/89/08/10/897890810.db2.gz SQLQEJRFTTZUOP-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)C ZINC001377025154 897915210 /nfs/dbraw/zinc/91/52/10/897915210.db2.gz PWZSRUJWLISVQQ-YNEHKIRRSA-N 2 1 298.431 -0.101 20 0 CBADMP CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001377017362 897915496 /nfs/dbraw/zinc/91/54/96/897915496.db2.gz IWEKGEYAENNJQV-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001377017362 897915507 /nfs/dbraw/zinc/91/55/07/897915507.db2.gz IWEKGEYAENNJQV-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377017362 897915517 /nfs/dbraw/zinc/91/55/17/897915517.db2.gz IWEKGEYAENNJQV-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001377017333 897915743 /nfs/dbraw/zinc/91/57/43/897915743.db2.gz IWEKGEYAENNJQV-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377017333 897915747 /nfs/dbraw/zinc/91/57/47/897915747.db2.gz IWEKGEYAENNJQV-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377017333 897915753 /nfs/dbraw/zinc/91/57/53/897915753.db2.gz IWEKGEYAENNJQV-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001377114398 897933152 /nfs/dbraw/zinc/93/31/52/897933152.db2.gz VTTSJCMWXWLERS-VXGBXAGGSA-N 2 1 286.420 -0.055 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001377126759 897935100 /nfs/dbraw/zinc/93/51/00/897935100.db2.gz DTGIMTXETGQHOB-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP COC[C@H](O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001377126759 897935113 /nfs/dbraw/zinc/93/51/13/897935113.db2.gz DTGIMTXETGQHOB-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP COC[C@H](O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001377126759 897935124 /nfs/dbraw/zinc/93/51/24/897935124.db2.gz DTGIMTXETGQHOB-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CN1CCC[C@H]([N@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001377133027 897939964 /nfs/dbraw/zinc/93/99/64/897939964.db2.gz UZZOOGBAJPRBPY-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CCC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001377133027 897939969 /nfs/dbraw/zinc/93/99/69/897939969.db2.gz UZZOOGBAJPRBPY-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CCC[C@H]([NH+](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001377133027 897939974 /nfs/dbraw/zinc/93/99/74/897939974.db2.gz UZZOOGBAJPRBPY-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CCC[C@H]([NH+](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001377133027 897939981 /nfs/dbraw/zinc/93/99/81/897939981.db2.gz UZZOOGBAJPRBPY-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001377130317 897940259 /nfs/dbraw/zinc/94/02/59/897940259.db2.gz NVTHYPLTZMZYHA-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001377130317 897940267 /nfs/dbraw/zinc/94/02/67/897940267.db2.gz NVTHYPLTZMZYHA-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001377130317 897940270 /nfs/dbraw/zinc/94/02/70/897940270.db2.gz NVTHYPLTZMZYHA-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001377130317 897940275 /nfs/dbraw/zinc/94/02/75/897940275.db2.gz NVTHYPLTZMZYHA-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CCC[NH+](C)C ZINC001377277910 897996881 /nfs/dbraw/zinc/99/68/81/897996881.db2.gz JFROTESLBHCSLI-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC001377281704 897998962 /nfs/dbraw/zinc/99/89/62/897998962.db2.gz TZCHSSKGOFXQCR-AAEUAGOBSA-N 2 1 294.403 -0.297 20 0 CBADMP CCN(CCNC(=O)Cn1ccnc1)[C@@H]1CCCNC1=O ZINC001377387132 898031407 /nfs/dbraw/zinc/03/14/07/898031407.db2.gz XNCRPZKAKLZSMQ-GFCCVEGCSA-N 2 1 293.371 -0.400 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001377406374 898036599 /nfs/dbraw/zinc/03/65/99/898036599.db2.gz WGUZOEUMHIRJPK-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001377406374 898036610 /nfs/dbraw/zinc/03/66/10/898036610.db2.gz WGUZOEUMHIRJPK-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001377433455 898050459 /nfs/dbraw/zinc/05/04/59/898050459.db2.gz UJKKZSSPIFVSOR-QJPTWQEYSA-N 2 1 284.404 -0.443 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001377471331 898058699 /nfs/dbraw/zinc/05/86/99/898058699.db2.gz KJHBJKNFEBPPNE-PWSUYJOCSA-N 2 1 293.371 -0.497 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001377471331 898058715 /nfs/dbraw/zinc/05/87/15/898058715.db2.gz KJHBJKNFEBPPNE-PWSUYJOCSA-N 2 1 293.371 -0.497 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001377488722 898063548 /nfs/dbraw/zinc/06/35/48/898063548.db2.gz QPBJFGBAJZKPTE-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@@H](C)C(N)=O ZINC001377499517 898065025 /nfs/dbraw/zinc/06/50/25/898065025.db2.gz DTWINKNLPZSVSZ-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H](C(N)=O)[N@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001377545202 898079703 /nfs/dbraw/zinc/07/97/03/898079703.db2.gz GFXSOQNZIKFTLS-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001377545202 898079715 /nfs/dbraw/zinc/07/97/15/898079715.db2.gz GFXSOQNZIKFTLS-SNVBAGLBSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001377567032 898086125 /nfs/dbraw/zinc/08/61/25/898086125.db2.gz ITRYIBLMJIOZBO-CHWSQXEVSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001377597087 898102996 /nfs/dbraw/zinc/10/29/96/898102996.db2.gz JGBYHVFAXOYJSW-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)c1nnnn1C ZINC001377598872 898103481 /nfs/dbraw/zinc/10/34/81/898103481.db2.gz ORBMMSRCIWTCRL-LLVKDONJSA-N 2 1 295.391 -0.585 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001377607437 898106911 /nfs/dbraw/zinc/10/69/11/898106911.db2.gz IKAJBXVDCNQXRU-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001377766158 898133861 /nfs/dbraw/zinc/13/38/61/898133861.db2.gz GWLXXPDVPBGOFE-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001377766158 898133868 /nfs/dbraw/zinc/13/38/68/898133868.db2.gz GWLXXPDVPBGOFE-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001377766158 898133873 /nfs/dbraw/zinc/13/38/73/898133873.db2.gz GWLXXPDVPBGOFE-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001377821002 898142933 /nfs/dbraw/zinc/14/29/33/898142933.db2.gz FLRWVZRDKAGQDM-CQSZACIVSA-N 2 1 299.415 -0.328 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001377821002 898142939 /nfs/dbraw/zinc/14/29/39/898142939.db2.gz FLRWVZRDKAGQDM-CQSZACIVSA-N 2 1 299.415 -0.328 20 0 CBADMP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001377840345 898147041 /nfs/dbraw/zinc/14/70/41/898147041.db2.gz OWCSWCWRHPHFGO-GHMZBOCLSA-N 2 1 297.407 -0.465 20 0 CBADMP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001377918380 898167649 /nfs/dbraw/zinc/16/76/49/898167649.db2.gz WHYDGEJNSLHFHB-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001378112472 898237488 /nfs/dbraw/zinc/23/74/88/898237488.db2.gz QLXBKKJEKKWABO-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP CCNC(=O)CN(C)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001378145344 898249578 /nfs/dbraw/zinc/24/95/78/898249578.db2.gz QOHGSEXIQQAAKQ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001378145344 898249593 /nfs/dbraw/zinc/24/95/93/898249593.db2.gz QOHGSEXIQQAAKQ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001378145344 898249606 /nfs/dbraw/zinc/24/96/06/898249606.db2.gz QOHGSEXIQQAAKQ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001378145344 898249634 /nfs/dbraw/zinc/24/96/34/898249634.db2.gz QOHGSEXIQQAAKQ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)CN(C)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001378141070 898250679 /nfs/dbraw/zinc/25/06/79/898250679.db2.gz MLRGISMTCOLUCV-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001378141070 898250690 /nfs/dbraw/zinc/25/06/90/898250690.db2.gz MLRGISMTCOLUCV-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001378141070 898250703 /nfs/dbraw/zinc/25/07/03/898250703.db2.gz MLRGISMTCOLUCV-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001378141070 898250726 /nfs/dbraw/zinc/25/07/26/898250726.db2.gz MLRGISMTCOLUCV-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378165888 898256364 /nfs/dbraw/zinc/25/63/64/898256364.db2.gz NRGNYQNJCJKJAR-GHMZBOCLSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378165888 898256378 /nfs/dbraw/zinc/25/63/78/898256378.db2.gz NRGNYQNJCJKJAR-GHMZBOCLSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)[C@H]1CCNC1=O ZINC001378195651 898268800 /nfs/dbraw/zinc/26/88/00/898268800.db2.gz YJANAFAXFZKNLJ-RYUDHWBXSA-N 2 1 294.399 -0.593 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC(=O)N1CCC1 ZINC001378227553 898284973 /nfs/dbraw/zinc/28/49/73/898284973.db2.gz HJPDDCZPYRMFTM-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC(=O)N1CCC1 ZINC001378227553 898284988 /nfs/dbraw/zinc/28/49/88/898284988.db2.gz HJPDDCZPYRMFTM-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)CC(=O)N1CCC1 ZINC001378227553 898285002 /nfs/dbraw/zinc/28/50/02/898285002.db2.gz HJPDDCZPYRMFTM-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N1CCC1 ZINC001378227553 898285014 /nfs/dbraw/zinc/28/50/14/898285014.db2.gz HJPDDCZPYRMFTM-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378360602 898324303 /nfs/dbraw/zinc/32/43/03/898324303.db2.gz YDBHVJNKEYSLJK-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001378429177 898330437 /nfs/dbraw/zinc/33/04/37/898330437.db2.gz IBRNEYHISYDTIA-ABAIWWIYSA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CC(=O)N1CCC1 ZINC001378556580 898351300 /nfs/dbraw/zinc/35/13/00/898351300.db2.gz OGXLEXKBDDSWNF-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001378548327 898351377 /nfs/dbraw/zinc/35/13/77/898351377.db2.gz DTVYZDWYUABLHE-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]CC(=O)N1CCC1 ZINC001378556593 898353178 /nfs/dbraw/zinc/35/31/78/898353178.db2.gz OGXLEXKBDDSWNF-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]CC(N)=O ZINC001378609840 898366379 /nfs/dbraw/zinc/36/63/79/898366379.db2.gz CRGZPMCRLGMWNJ-GHMZBOCLSA-N 2 1 270.377 -0.845 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378643164 898378422 /nfs/dbraw/zinc/37/84/22/898378422.db2.gz JXWADJIEOPKLHE-OLZOCXBDSA-N 2 1 298.431 -0.242 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001378652091 898381228 /nfs/dbraw/zinc/38/12/28/898381228.db2.gz UNBGTDDPDJOFHV-WDEREUQCSA-N 2 1 295.387 -0.332 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001378655521 898381675 /nfs/dbraw/zinc/38/16/75/898381675.db2.gz ZDFBSRUCBJBKIE-SNVBAGLBSA-N 2 1 281.360 -0.721 20 0 CBADMP COC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001378828183 898419565 /nfs/dbraw/zinc/41/95/65/898419565.db2.gz IOBIJBXVUZXJSN-AAVRWANBSA-N 2 1 299.415 -0.164 20 0 CBADMP COC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001378828183 898419570 /nfs/dbraw/zinc/41/95/70/898419570.db2.gz IOBIJBXVUZXJSN-AAVRWANBSA-N 2 1 299.415 -0.164 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001378876916 898426598 /nfs/dbraw/zinc/42/65/98/898426598.db2.gz MINPXEJWZNVFGD-XUXIUFHCSA-N 2 1 299.415 -0.570 20 0 CBADMP CCNC(=O)C[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001378904930 898431154 /nfs/dbraw/zinc/43/11/54/898431154.db2.gz NVXPZUKJUDAKNX-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001378965798 898438411 /nfs/dbraw/zinc/43/84/11/898438411.db2.gz NYBLDQFMTNGMKX-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@H]1CCC[NH+]1C ZINC001379034700 898448788 /nfs/dbraw/zinc/44/87/88/898448788.db2.gz QVWXSWMDVRUXKE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@H]1CCC[NH+]1C ZINC001379034700 898448794 /nfs/dbraw/zinc/44/87/94/898448794.db2.gz QVWXSWMDVRUXKE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCCNC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379034700 898448800 /nfs/dbraw/zinc/44/88/00/898448800.db2.gz QVWXSWMDVRUXKE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCCNC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001379034700 898448807 /nfs/dbraw/zinc/44/88/07/898448807.db2.gz QVWXSWMDVRUXKE-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[N@@H+](C)CCn1cncn1)C(=O)[C@H]1CCC[NH+]1C ZINC001379085511 898460606 /nfs/dbraw/zinc/46/06/06/898460606.db2.gz SFGCXZHGIWNMTR-CYBMUJFWSA-N 2 1 294.403 -0.238 20 0 CBADMP CN(CC[NH+](C)CCn1cncn1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379085511 898460609 /nfs/dbraw/zinc/46/06/09/898460609.db2.gz SFGCXZHGIWNMTR-CYBMUJFWSA-N 2 1 294.403 -0.238 20 0 CBADMP CN(CC[NH+](C)CCn1cncn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001379085511 898460614 /nfs/dbraw/zinc/46/06/14/898460614.db2.gz SFGCXZHGIWNMTR-CYBMUJFWSA-N 2 1 294.403 -0.238 20 0 CBADMP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001379115167 898471003 /nfs/dbraw/zinc/47/10/03/898471003.db2.gz CGNRWLJESWLTNC-QWHCGFSZSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001379115167 898471012 /nfs/dbraw/zinc/47/10/12/898471012.db2.gz CGNRWLJESWLTNC-QWHCGFSZSA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001379133988 898472817 /nfs/dbraw/zinc/47/28/17/898472817.db2.gz UUCQYVPSXUPVMP-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001379133988 898472825 /nfs/dbraw/zinc/47/28/25/898472825.db2.gz UUCQYVPSXUPVMP-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001379133988 898472829 /nfs/dbraw/zinc/47/28/29/898472829.db2.gz UUCQYVPSXUPVMP-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379133988 898472834 /nfs/dbraw/zinc/47/28/34/898472834.db2.gz UUCQYVPSXUPVMP-NEPJUHHUSA-N 2 1 284.404 -0.537 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CC(N)=O)C1 ZINC001379147227 898473335 /nfs/dbraw/zinc/47/33/35/898473335.db2.gz HPDRFYCSXBIMNU-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(N)=O)C1 ZINC001379147227 898473344 /nfs/dbraw/zinc/47/33/44/898473344.db2.gz HPDRFYCSXBIMNU-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(N)=O)C1 ZINC001379147227 898473351 /nfs/dbraw/zinc/47/33/51/898473351.db2.gz HPDRFYCSXBIMNU-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)C ZINC001379136654 898474694 /nfs/dbraw/zinc/47/46/94/898474694.db2.gz ZQXLGCKMSAOGSV-YNEHKIRRSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cnn(C)n1 ZINC001379233677 898515774 /nfs/dbraw/zinc/51/57/74/898515774.db2.gz ZPVUSKIQRJTGAG-NSHDSACASA-N 2 1 282.392 -0.297 20 0 CBADMP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cnn(C)n1 ZINC001379233674 898516859 /nfs/dbraw/zinc/51/68/59/898516859.db2.gz ZPVUSKIQRJTGAG-LLVKDONJSA-N 2 1 282.392 -0.297 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnns2)C1 ZINC001379280512 898535854 /nfs/dbraw/zinc/53/58/54/898535854.db2.gz DGJALRQPOLEUGU-ZJUUUORDSA-N 2 1 299.400 -0.944 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C[N@@H+](C)C(C)C ZINC001379327805 898552086 /nfs/dbraw/zinc/55/20/86/898552086.db2.gz LRZHMAWDFBTZLN-LLVKDONJSA-N 2 1 272.393 -0.362 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001379332393 898555730 /nfs/dbraw/zinc/55/57/30/898555730.db2.gz ZXSVKZKVAWHDJO-VHSXEESVSA-N 2 1 281.360 -0.498 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001379371997 898586800 /nfs/dbraw/zinc/58/68/00/898586800.db2.gz MIRJODGGMWBGGT-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001379384924 898591832 /nfs/dbraw/zinc/59/18/32/898591832.db2.gz YJRBRXCLGAINLB-MNOVXSKESA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379420683 898607509 /nfs/dbraw/zinc/60/75/09/898607509.db2.gz KKXXZSUMLGFJRL-MNOVXSKESA-N 2 1 295.391 -0.711 20 0 CBADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001379420683 898607515 /nfs/dbraw/zinc/60/75/15/898607515.db2.gz KKXXZSUMLGFJRL-MNOVXSKESA-N 2 1 295.391 -0.711 20 0 CBADMP CCC[NH2+][C@@H](CO)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001379428038 898612128 /nfs/dbraw/zinc/61/21/28/898612128.db2.gz BESWJBAYHDFXGH-SNVBAGLBSA-N 2 1 284.360 -0.174 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379448485 898617798 /nfs/dbraw/zinc/61/77/98/898617798.db2.gz JDBIOKJVGFOLOC-UPJWGTAASA-N 2 1 287.404 -0.570 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1nncn1C ZINC001379449716 898617833 /nfs/dbraw/zinc/61/78/33/898617833.db2.gz MXVBKRCUMNUABA-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1nncn1C ZINC001379449716 898617838 /nfs/dbraw/zinc/61/78/38/898617838.db2.gz MXVBKRCUMNUABA-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001379453709 898620240 /nfs/dbraw/zinc/62/02/40/898620240.db2.gz UTDDSKBTHWAZME-LLVKDONJSA-N 2 1 292.387 -0.495 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379458667 898620293 /nfs/dbraw/zinc/62/02/93/898620293.db2.gz HNPIFGAUDJHTBX-MNOVXSKESA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379458667 898620299 /nfs/dbraw/zinc/62/02/99/898620299.db2.gz HNPIFGAUDJHTBX-MNOVXSKESA-N 2 1 280.376 -0.639 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001379517818 898650796 /nfs/dbraw/zinc/65/07/96/898650796.db2.gz DOODHAQYSLWDPH-XQQFMLRXSA-N 2 1 287.404 -0.428 20 0 CBADMP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379582951 898672383 /nfs/dbraw/zinc/67/23/83/898672383.db2.gz RDOZKUVWJKGJKG-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CC(N)=O ZINC001379653314 898695343 /nfs/dbraw/zinc/69/53/43/898695343.db2.gz IOKGYOPPAJDGDM-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1CC(N)=O ZINC001379653314 898695352 /nfs/dbraw/zinc/69/53/52/898695352.db2.gz IOKGYOPPAJDGDM-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379722647 898708831 /nfs/dbraw/zinc/70/88/31/898708831.db2.gz ILDBYXLDKWMFKR-MNOVXSKESA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379722647 898708835 /nfs/dbraw/zinc/70/88/35/898708835.db2.gz ILDBYXLDKWMFKR-MNOVXSKESA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001380070897 898799363 /nfs/dbraw/zinc/79/93/63/898799363.db2.gz YDMVEKCGXMYNIB-WDEREUQCSA-N 2 1 282.388 -0.417 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001380087508 898803588 /nfs/dbraw/zinc/80/35/88/898803588.db2.gz CYNZJEWZJFGPAU-VXGBXAGGSA-N 2 1 298.431 -0.195 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001380276170 898846917 /nfs/dbraw/zinc/84/69/17/898846917.db2.gz YZMQERPUSJICMC-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001380276161 898847223 /nfs/dbraw/zinc/84/72/23/898847223.db2.gz YZMQERPUSJICMC-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380362539 898860135 /nfs/dbraw/zinc/86/01/35/898860135.db2.gz VNSLQZNLRBKVKI-GWCFXTLKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380362539 898860151 /nfs/dbraw/zinc/86/01/51/898860151.db2.gz VNSLQZNLRBKVKI-GWCFXTLKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380362540 898860905 /nfs/dbraw/zinc/86/09/05/898860905.db2.gz VNSLQZNLRBKVKI-GXFFZTMASA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380362540 898860915 /nfs/dbraw/zinc/86/09/15/898860915.db2.gz VNSLQZNLRBKVKI-GXFFZTMASA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CCF)C1)[NH+](C)C ZINC001380555569 898898733 /nfs/dbraw/zinc/89/87/33/898898733.db2.gz FNLMASCYNVQDCJ-AAEUAGOBSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1)[NH+](C)C ZINC001380555569 898898741 /nfs/dbraw/zinc/89/87/41/898898741.db2.gz FNLMASCYNVQDCJ-AAEUAGOBSA-N 2 1 275.368 -0.151 20 0 CBADMP COC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380552927 898900823 /nfs/dbraw/zinc/90/08/23/898900823.db2.gz MBUOCANPHHEXSY-OCCSQVGLSA-N 2 1 287.404 -0.474 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC001380908161 898969677 /nfs/dbraw/zinc/96/96/77/898969677.db2.gz CEZFCPROHULDAO-QWHCGFSZSA-N 2 1 296.371 -0.611 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)[C@H](C)C1 ZINC001381169050 899004461 /nfs/dbraw/zinc/00/44/61/899004461.db2.gz IAFIGMRGWLWPHV-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)[C@H](C)C1 ZINC001381169050 899004470 /nfs/dbraw/zinc/00/44/70/899004470.db2.gz IAFIGMRGWLWPHV-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC001381169050 899004478 /nfs/dbraw/zinc/00/44/78/899004478.db2.gz IAFIGMRGWLWPHV-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC001381169050 899004492 /nfs/dbraw/zinc/00/44/92/899004492.db2.gz IAFIGMRGWLWPHV-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(N)=O ZINC001381173543 899005122 /nfs/dbraw/zinc/00/51/22/899005122.db2.gz NCUGOQQMTIVVNV-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(N)=O ZINC001381173543 899005140 /nfs/dbraw/zinc/00/51/40/899005140.db2.gz NCUGOQQMTIVVNV-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001381277477 899020494 /nfs/dbraw/zinc/02/04/94/899020494.db2.gz CSSICOTXQZSMNH-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001381297683 899024740 /nfs/dbraw/zinc/02/47/40/899024740.db2.gz JYWQLRUWQXPSPG-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001381297683 899024753 /nfs/dbraw/zinc/02/47/53/899024753.db2.gz JYWQLRUWQXPSPG-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001381335475 899032232 /nfs/dbraw/zinc/03/22/32/899032232.db2.gz PCIRRHQQNORIMX-UHFFFAOYSA-N 2 1 279.344 -0.839 20 0 CBADMP C[C@@H]([NH2+]Cc1ncnn1C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001381440626 899050266 /nfs/dbraw/zinc/05/02/66/899050266.db2.gz CNYIGTVWYRKBIO-NEPJUHHUSA-N 2 1 294.403 -0.106 20 0 CBADMP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001381484260 899058480 /nfs/dbraw/zinc/05/84/80/899058480.db2.gz IYOZQOOSAZNDQO-NSHDSACASA-N 2 1 284.404 -0.502 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CC(=O)NC1CC1 ZINC001381563866 899086707 /nfs/dbraw/zinc/08/67/07/899086707.db2.gz ILOZJRZDLLLVPQ-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CC(=O)NC1CC1 ZINC001381563866 899086722 /nfs/dbraw/zinc/08/67/22/899086722.db2.gz ILOZJRZDLLLVPQ-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CC(=O)NC1CC1 ZINC001381563866 899086738 /nfs/dbraw/zinc/08/67/38/899086738.db2.gz ILOZJRZDLLLVPQ-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CC(=O)NC1CC1 ZINC001381563866 899086754 /nfs/dbraw/zinc/08/67/54/899086754.db2.gz ILOZJRZDLLLVPQ-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)CC(N)=O ZINC001381615213 899096203 /nfs/dbraw/zinc/09/62/03/899096203.db2.gz BWCPCJDHOWEKBX-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)CC(N)=O ZINC001381615213 899096217 /nfs/dbraw/zinc/09/62/17/899096217.db2.gz BWCPCJDHOWEKBX-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H]1CCN(C)C1=O ZINC001381639195 899100807 /nfs/dbraw/zinc/10/08/07/899100807.db2.gz AFCIMPJPIVTUKL-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC001381639195 899100808 /nfs/dbraw/zinc/10/08/08/899100808.db2.gz AFCIMPJPIVTUKL-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001381639195 899100809 /nfs/dbraw/zinc/10/08/09/899100809.db2.gz AFCIMPJPIVTUKL-OLZOCXBDSA-N 2 1 298.431 -0.006 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001381801704 899115958 /nfs/dbraw/zinc/11/59/58/899115958.db2.gz HJAOXBAVFYFHNL-DGCLKSJQSA-N 2 1 296.415 -0.395 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001381804002 899116537 /nfs/dbraw/zinc/11/65/37/899116537.db2.gz BKHNKKMKMAILRP-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001381804002 899116549 /nfs/dbraw/zinc/11/65/49/899116549.db2.gz BKHNKKMKMAILRP-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001381868122 899122851 /nfs/dbraw/zinc/12/28/51/899122851.db2.gz DXMJGPNSLRVVAF-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001381868122 899122863 /nfs/dbraw/zinc/12/28/63/899122863.db2.gz DXMJGPNSLRVVAF-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001381953327 899134380 /nfs/dbraw/zinc/13/43/80/899134380.db2.gz KYXUTOSLOJWWES-SYQHCUMBSA-N 2 1 299.415 -0.428 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001381998107 899140082 /nfs/dbraw/zinc/14/00/82/899140082.db2.gz RNIPVNYCTGKVDN-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCO ZINC001381991981 899140515 /nfs/dbraw/zinc/14/05/15/899140515.db2.gz SDJHPBOILQADKC-CHWSQXEVSA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCO ZINC001381991981 899140519 /nfs/dbraw/zinc/14/05/19/899140519.db2.gz SDJHPBOILQADKC-CHWSQXEVSA-N 2 1 287.404 -0.570 20 0 CBADMP CC[C@@H](C(=O)N1CCC([N@@H+](C)CC(=O)NC)CC1)[NH+](C)C ZINC001381983496 899140714 /nfs/dbraw/zinc/14/07/14/899140714.db2.gz FHRDBFSALNBEHT-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001382051029 899147138 /nfs/dbraw/zinc/14/71/38/899147138.db2.gz NQYXRBULVJWLNF-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001382063969 899149093 /nfs/dbraw/zinc/14/90/93/899149093.db2.gz CRZSPZAAAOXOFJ-FRRDWIJNSA-N 2 1 298.431 -0.101 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001382132633 899163825 /nfs/dbraw/zinc/16/38/25/899163825.db2.gz MIFYTIAYVYDKDL-LLVKDONJSA-N 2 1 295.387 -0.106 20 0 CBADMP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001382156152 899167352 /nfs/dbraw/zinc/16/73/52/899167352.db2.gz QUMFUTRSSFZUSY-QWRGUYRKSA-N 2 1 297.407 -0.513 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCN(C)C(=O)CC[NH+](C)C ZINC001455289656 914327057 /nfs/dbraw/zinc/32/70/57/914327057.db2.gz YSRVKRSAWYULKK-UHFFFAOYSA-N 2 1 286.420 -0.147 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001455392550 914356183 /nfs/dbraw/zinc/35/61/83/914356183.db2.gz SWVBQVWINDVOLO-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001455392550 914356199 /nfs/dbraw/zinc/35/61/99/914356199.db2.gz SWVBQVWINDVOLO-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001455392550 914356215 /nfs/dbraw/zinc/35/62/15/914356215.db2.gz SWVBQVWINDVOLO-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001385165232 899551067 /nfs/dbraw/zinc/55/10/67/899551067.db2.gz IQCGVYSTOBUFAM-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001385348215 899564176 /nfs/dbraw/zinc/56/41/76/899564176.db2.gz ZJZUHHBXGHQUOL-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001385886847 899599373 /nfs/dbraw/zinc/59/93/73/899599373.db2.gz LEQUTKZLXVTKDB-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP COCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001388647567 899896319 /nfs/dbraw/zinc/89/63/19/899896319.db2.gz FODXRZUFFFDVOH-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP COCC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001388647567 899896322 /nfs/dbraw/zinc/89/63/22/899896322.db2.gz FODXRZUFFFDVOH-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001388700981 899900985 /nfs/dbraw/zinc/90/09/85/899900985.db2.gz UBMCPFZKJSEVPQ-SDDRHHMPSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001389442215 900015642 /nfs/dbraw/zinc/01/56/42/900015642.db2.gz ZDRIHBNRZPPGLR-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001389442215 900015650 /nfs/dbraw/zinc/01/56/50/900015650.db2.gz ZDRIHBNRZPPGLR-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001389442215 900015661 /nfs/dbraw/zinc/01/56/61/900015661.db2.gz ZDRIHBNRZPPGLR-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C1)[NH+](C)C ZINC001389506941 900028876 /nfs/dbraw/zinc/02/88/76/900028876.db2.gz IFTZHSOOTULFSF-CHWSQXEVSA-N 2 1 294.403 -0.191 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1)[NH+](C)C ZINC001389506941 900028883 /nfs/dbraw/zinc/02/88/83/900028883.db2.gz IFTZHSOOTULFSF-CHWSQXEVSA-N 2 1 294.403 -0.191 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)CC[N@H+]1C ZINC001389598862 900046381 /nfs/dbraw/zinc/04/63/81/900046381.db2.gz AHMDPEXTJFZUDF-JLLWLGSASA-N 2 1 282.388 -0.704 20 0 CBADMP C[C@H]([NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1)C(N)=O ZINC001389609921 900049037 /nfs/dbraw/zinc/04/90/37/900049037.db2.gz QPEFJANVTASXNH-GWCFXTLKSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)CC[N@H+]1C ZINC001389618544 900050684 /nfs/dbraw/zinc/05/06/84/900050684.db2.gz WFOYEZAFXXFESZ-YNEHKIRRSA-N 2 1 296.415 -0.314 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001389693851 900057931 /nfs/dbraw/zinc/05/79/31/900057931.db2.gz QWLNADARUQPQKV-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001389839824 900084051 /nfs/dbraw/zinc/08/40/51/900084051.db2.gz VRTCODXNRZTBTM-LPWJVIDDSA-N 2 1 285.388 -0.411 20 0 CBADMP CO[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001389839824 900084057 /nfs/dbraw/zinc/08/40/57/900084057.db2.gz VRTCODXNRZTBTM-LPWJVIDDSA-N 2 1 285.388 -0.411 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001389863988 900085600 /nfs/dbraw/zinc/08/56/00/900085600.db2.gz VBPHNNUVIIUWHG-GVXVVHGQSA-N 2 1 294.399 -0.404 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001389894327 900090219 /nfs/dbraw/zinc/09/02/19/900090219.db2.gz CRRNKDOGSQBUAX-HAQNSBGRSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001389997938 900103555 /nfs/dbraw/zinc/10/35/55/900103555.db2.gz ISGHPUONYKMUOD-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21)[NH+](C)C ZINC001390242351 900126606 /nfs/dbraw/zinc/12/66/06/900126606.db2.gz BJEBPDMIYMULEM-ZIQFBCGOSA-N 2 1 282.388 -0.753 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21)[NH+](C)C ZINC001390242351 900126614 /nfs/dbraw/zinc/12/66/14/900126614.db2.gz BJEBPDMIYMULEM-ZIQFBCGOSA-N 2 1 282.388 -0.753 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001390322241 900139534 /nfs/dbraw/zinc/13/95/34/900139534.db2.gz WIDVPGQAZHOWEM-PWSUYJOCSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001390322241 900139542 /nfs/dbraw/zinc/13/95/42/900139542.db2.gz WIDVPGQAZHOWEM-PWSUYJOCSA-N 2 1 280.376 -0.496 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001390433876 900158204 /nfs/dbraw/zinc/15/82/04/900158204.db2.gz OAHMYPLCVREMCF-VXGBXAGGSA-N 2 1 284.404 -0.314 20 0 CBADMP COC[C@H](O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001390459646 900167262 /nfs/dbraw/zinc/16/72/62/900167262.db2.gz MKIKSEDQDOSVOW-IJLUTSLNSA-N 2 1 273.377 -0.818 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001390458523 900167670 /nfs/dbraw/zinc/16/76/70/900167670.db2.gz NJCXEPDOCGYDBS-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001390487098 900173725 /nfs/dbraw/zinc/17/37/25/900173725.db2.gz XOPHVYLABMAMOC-NWDGAFQWSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1ncnn1C ZINC001390510397 900180223 /nfs/dbraw/zinc/18/02/23/900180223.db2.gz PZVUSXRATKAFDM-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1ncnn1C ZINC001390510397 900180231 /nfs/dbraw/zinc/18/02/31/900180231.db2.gz PZVUSXRATKAFDM-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nccn1C ZINC001390522315 900181341 /nfs/dbraw/zinc/18/13/41/900181341.db2.gz QRKWMABWQPPVMZ-NEPJUHHUSA-N 2 1 279.388 -0.034 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nccn1C ZINC001390522315 900181349 /nfs/dbraw/zinc/18/13/49/900181349.db2.gz QRKWMABWQPPVMZ-NEPJUHHUSA-N 2 1 279.388 -0.034 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001390538773 900183953 /nfs/dbraw/zinc/18/39/53/900183953.db2.gz PAFSCUSQJVVIAL-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001390592127 900194514 /nfs/dbraw/zinc/19/45/14/900194514.db2.gz AXVLUXQSWDEZCL-LLVKDONJSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001390649654 900202520 /nfs/dbraw/zinc/20/25/20/900202520.db2.gz WHBZTOQWECVKJB-RYUDHWBXSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001390647562 900203799 /nfs/dbraw/zinc/20/37/99/900203799.db2.gz QDIKXOFROYSHCV-YPMHNXCESA-N 2 1 294.403 -0.106 20 0 CBADMP CN1CC[C@H]([N@H+](C)CCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001390814253 900254127 /nfs/dbraw/zinc/25/41/27/900254127.db2.gz XIIRTEOTRPPQTL-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001390814253 900254141 /nfs/dbraw/zinc/25/41/41/900254141.db2.gz XIIRTEOTRPPQTL-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)N(C)C(=O)CN(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001390857715 900266693 /nfs/dbraw/zinc/26/66/93/900266693.db2.gz COCNFNDOQMMOEW-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001390857515 900268055 /nfs/dbraw/zinc/26/80/55/900268055.db2.gz HLDYPSHAAABWSL-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001390857515 900268063 /nfs/dbraw/zinc/26/80/63/900268063.db2.gz HLDYPSHAAABWSL-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP C[C@@H](C(=O)NC1CC1)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001390859913 900269021 /nfs/dbraw/zinc/26/90/21/900269021.db2.gz IUOWZLCFCQTNOP-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001390859913 900269024 /nfs/dbraw/zinc/26/90/24/900269024.db2.gz IUOWZLCFCQTNOP-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001390859913 900269029 /nfs/dbraw/zinc/26/90/29/900269029.db2.gz IUOWZLCFCQTNOP-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001390859913 900269030 /nfs/dbraw/zinc/26/90/30/900269030.db2.gz IUOWZLCFCQTNOP-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001390859913 900269037 /nfs/dbraw/zinc/26/90/37/900269037.db2.gz IUOWZLCFCQTNOP-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCCN(C)C1=O ZINC001390867971 900271221 /nfs/dbraw/zinc/27/12/21/900271221.db2.gz YIOOLDPSAFECGR-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCCN(C)C1=O ZINC001390867971 900271224 /nfs/dbraw/zinc/27/12/24/900271224.db2.gz YIOOLDPSAFECGR-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)[C@H]1CCCN(C)C1=O ZINC001390867971 900271237 /nfs/dbraw/zinc/27/12/37/900271237.db2.gz YIOOLDPSAFECGR-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC001390867971 900271248 /nfs/dbraw/zinc/27/12/48/900271248.db2.gz YIOOLDPSAFECGR-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(=O)NC ZINC001390988500 900290247 /nfs/dbraw/zinc/29/02/47/900290247.db2.gz NNCCLHFHKHLLJS-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(=O)NC ZINC001390988500 900290265 /nfs/dbraw/zinc/29/02/65/900290265.db2.gz NNCCLHFHKHLLJS-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)CC(=O)NC ZINC001390988500 900290277 /nfs/dbraw/zinc/29/02/77/900290277.db2.gz NNCCLHFHKHLLJS-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CC(=O)NC ZINC001390988500 900290292 /nfs/dbraw/zinc/29/02/92/900290292.db2.gz NNCCLHFHKHLLJS-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1ccnc1 ZINC001391085542 900302825 /nfs/dbraw/zinc/30/28/25/900302825.db2.gz ZGEPXOOCWWJMSZ-STQMWFEESA-N 2 1 296.371 -0.529 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001391100712 900308093 /nfs/dbraw/zinc/30/80/93/900308093.db2.gz VVCVQHUTAFMJNO-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001391101766 900309857 /nfs/dbraw/zinc/30/98/57/900309857.db2.gz OUKFVVJHNHDNLO-RYUDHWBXSA-N 2 1 293.371 -0.497 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001391101766 900309863 /nfs/dbraw/zinc/30/98/63/900309863.db2.gz OUKFVVJHNHDNLO-RYUDHWBXSA-N 2 1 293.371 -0.497 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001391112590 900313410 /nfs/dbraw/zinc/31/34/10/900313410.db2.gz CLEXKKNAZYZJQH-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001391112590 900313420 /nfs/dbraw/zinc/31/34/20/900313420.db2.gz CLEXKKNAZYZJQH-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001391112590 900313431 /nfs/dbraw/zinc/31/34/31/900313431.db2.gz CLEXKKNAZYZJQH-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001391108529 900313505 /nfs/dbraw/zinc/31/35/05/900313505.db2.gz HCUZZQICIRDAEG-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001391108529 900313516 /nfs/dbraw/zinc/31/35/16/900313516.db2.gz HCUZZQICIRDAEG-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391108529 900313528 /nfs/dbraw/zinc/31/35/28/900313528.db2.gz HCUZZQICIRDAEG-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001391114381 900313883 /nfs/dbraw/zinc/31/38/83/900313883.db2.gz TVCIGUZNNDMUDX-OCCSQVGLSA-N 2 1 298.431 -0.243 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001391114386 900315370 /nfs/dbraw/zinc/31/53/70/900315370.db2.gz TVCIGUZNNDMUDX-TZMCWYRMSA-N 2 1 298.431 -0.243 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001391107430 900316748 /nfs/dbraw/zinc/31/67/48/900316748.db2.gz AVGMXPOTEVPCCI-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC(N)=O ZINC001391130017 900319549 /nfs/dbraw/zinc/31/95/49/900319549.db2.gz TUWXAVQEOFDISW-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC(N)=O ZINC001391130017 900319558 /nfs/dbraw/zinc/31/95/58/900319558.db2.gz TUWXAVQEOFDISW-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)CC(N)=O ZINC001391130017 900319567 /nfs/dbraw/zinc/31/95/67/900319567.db2.gz TUWXAVQEOFDISW-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)CC(N)=O ZINC001391130017 900319580 /nfs/dbraw/zinc/31/95/80/900319580.db2.gz TUWXAVQEOFDISW-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@@H]2CCNC2=O)CC[N@H+]1C ZINC001391201062 900335921 /nfs/dbraw/zinc/33/59/21/900335921.db2.gz LCCFSDWHMVVIJG-YNEHKIRRSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001391222188 900343537 /nfs/dbraw/zinc/34/35/37/900343537.db2.gz FDGJUTKEYYCPAA-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001391401060 900366916 /nfs/dbraw/zinc/36/69/16/900366916.db2.gz PBSWXGFLCHJJGD-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001391401060 900366927 /nfs/dbraw/zinc/36/69/27/900366927.db2.gz PBSWXGFLCHJJGD-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001391619872 900423000 /nfs/dbraw/zinc/42/30/00/900423000.db2.gz JOAXTPLBWSOQSM-TZMCWYRMSA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001391619872 900423005 /nfs/dbraw/zinc/42/30/05/900423005.db2.gz JOAXTPLBWSOQSM-TZMCWYRMSA-N 2 1 298.431 -0.149 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001391714156 900437969 /nfs/dbraw/zinc/43/79/69/900437969.db2.gz ILSWBVWGLYYEOG-DGCLKSJQSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001391714156 900437981 /nfs/dbraw/zinc/43/79/81/900437981.db2.gz ILSWBVWGLYYEOG-DGCLKSJQSA-N 2 1 294.403 -0.106 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001391922247 900463501 /nfs/dbraw/zinc/46/35/01/900463501.db2.gz SFTSOUMJDLKNPP-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001391940411 900467607 /nfs/dbraw/zinc/46/76/07/900467607.db2.gz QLDRLXPFYPXMLM-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001392084944 900509298 /nfs/dbraw/zinc/50/92/98/900509298.db2.gz USJOXIROWLIVIV-CMPLNLGQSA-N 2 1 295.387 -0.237 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001392116230 900517508 /nfs/dbraw/zinc/51/75/08/900517508.db2.gz JJEKATSUPVNPGV-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C[NH2+]CC(N)=O)CC(C)C ZINC001392155394 900524652 /nfs/dbraw/zinc/52/46/52/900524652.db2.gz CIWSTEFXLRRDTI-GFCCVEGCSA-N 2 1 295.387 -0.203 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001456298679 914458319 /nfs/dbraw/zinc/45/83/19/914458319.db2.gz OXNQEKWVKTWJDE-WDEREUQCSA-N 2 1 253.346 -0.473 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001392302377 900558349 /nfs/dbraw/zinc/55/83/49/900558349.db2.gz HMBZQJJCFLEHCN-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001392302377 900558359 /nfs/dbraw/zinc/55/83/59/900558359.db2.gz HMBZQJJCFLEHCN-ZDUSSCGKSA-N 2 1 296.415 -0.393 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001392354407 900578918 /nfs/dbraw/zinc/57/89/18/900578918.db2.gz OTDYDWZTDXQCEH-VXGBXAGGSA-N 2 1 293.371 -0.449 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001392357291 900582001 /nfs/dbraw/zinc/58/20/01/900582001.db2.gz UNWTYFHRQNYWPA-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001392388987 900597158 /nfs/dbraw/zinc/59/71/58/900597158.db2.gz HWWZNBGSIVKETN-VXGBXAGGSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001392425846 900613881 /nfs/dbraw/zinc/61/38/81/900613881.db2.gz IXWOANDDQYYZGU-ZDUSSCGKSA-N 2 1 298.387 -0.110 20 0 CBADMP CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001392529881 900647323 /nfs/dbraw/zinc/64/73/23/900647323.db2.gz LJFFYMWEOVGSSJ-VXGBXAGGSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001392529881 900647330 /nfs/dbraw/zinc/64/73/30/900647330.db2.gz LJFFYMWEOVGSSJ-VXGBXAGGSA-N 2 1 294.403 -0.156 20 0 CBADMP COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001392673983 900696747 /nfs/dbraw/zinc/69/67/47/900696747.db2.gz CRDVXHPXWAONAQ-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392673983 900696754 /nfs/dbraw/zinc/69/67/54/900696754.db2.gz CRDVXHPXWAONAQ-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392673983 900696758 /nfs/dbraw/zinc/69/67/58/900696758.db2.gz CRDVXHPXWAONAQ-YNEHKIRRSA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001392691322 900701987 /nfs/dbraw/zinc/70/19/87/900701987.db2.gz XCWGUAHJVIUAAB-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001392691322 900701994 /nfs/dbraw/zinc/70/19/94/900701994.db2.gz XCWGUAHJVIUAAB-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001392691320 900703183 /nfs/dbraw/zinc/70/31/83/900703183.db2.gz XCWGUAHJVIUAAB-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001392691320 900703193 /nfs/dbraw/zinc/70/31/93/900703193.db2.gz XCWGUAHJVIUAAB-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H]([NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1)C(N)=O ZINC001392760983 900717950 /nfs/dbraw/zinc/71/79/50/900717950.db2.gz ALDDAWDATIBAAU-GXFFZTMASA-N 2 1 296.415 -0.171 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392814333 900731616 /nfs/dbraw/zinc/73/16/16/900731616.db2.gz UOCDXZUUDIJODD-QWHCGFSZSA-N 2 1 296.415 -0.489 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1 ZINC001392905943 900758942 /nfs/dbraw/zinc/75/89/42/900758942.db2.gz GQYDVERDGZXQGW-VXGBXAGGSA-N 2 1 296.415 -0.027 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001392957177 900770255 /nfs/dbraw/zinc/77/02/55/900770255.db2.gz RIFFVFXZCAMMCQ-JTQLQIEISA-N 2 1 293.371 -0.436 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001392992175 900772227 /nfs/dbraw/zinc/77/22/27/900772227.db2.gz OYTAIRCPCDEFJV-DOMZBBRYSA-N 2 1 296.415 -0.264 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001393058405 900786926 /nfs/dbraw/zinc/78/69/26/900786926.db2.gz YMGWTAOSUHNYBL-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001393165279 900800277 /nfs/dbraw/zinc/80/02/77/900800277.db2.gz PODCRVLOTVXHJJ-WFASDCNBSA-N 2 1 296.415 -0.358 20 0 CBADMP O=C(NCC1(O)C[NH+](CC2CC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001393313550 900838561 /nfs/dbraw/zinc/83/85/61/900838561.db2.gz DIPKNTOQMQSKNO-AWEZNQCLSA-N 2 1 293.411 -0.099 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001393544289 900871522 /nfs/dbraw/zinc/87/15/22/900871522.db2.gz KYJBYJKFZVASBZ-UHFFFAOYSA-N 2 1 296.415 -0.155 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(N)=O)C1 ZINC001393740682 900899092 /nfs/dbraw/zinc/89/90/92/900899092.db2.gz JACDGAHYYFMBRH-MNOVXSKESA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1ncnn1C ZINC001393751499 900902889 /nfs/dbraw/zinc/90/28/89/900902889.db2.gz RZFTVIAEPKHNOZ-NEPJUHHUSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ncnn1C ZINC001393751500 900904283 /nfs/dbraw/zinc/90/42/83/900904283.db2.gz RZFTVIAEPKHNOZ-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001393858653 900917556 /nfs/dbraw/zinc/91/75/56/900917556.db2.gz FPVZAGXLHIDBMP-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)[C@@H]1CCCNC1=O ZINC001394139335 900984103 /nfs/dbraw/zinc/98/41/03/900984103.db2.gz WCKBKDCCNLVDPB-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001394263860 901002763 /nfs/dbraw/zinc/00/27/63/901002763.db2.gz MSHCEZOALXQOTO-AAEUAGOBSA-N 2 1 298.431 -0.149 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001394254640 901003552 /nfs/dbraw/zinc/00/35/52/901003552.db2.gz PYAXLIOZVSWNQF-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001394255875 901004105 /nfs/dbraw/zinc/00/41/05/901004105.db2.gz VHBIFJAWWIBPBY-WDEREUQCSA-N 2 1 284.404 -0.491 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001394270225 901006666 /nfs/dbraw/zinc/00/66/66/901006666.db2.gz MIVBUSVBQKSIPA-LBPRGKRZSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001394270225 901006673 /nfs/dbraw/zinc/00/66/73/901006673.db2.gz MIVBUSVBQKSIPA-LBPRGKRZSA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001394368029 901019557 /nfs/dbraw/zinc/01/95/57/901019557.db2.gz MKILITZPZSZSQU-CYDGBPFRSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001394368029 901019564 /nfs/dbraw/zinc/01/95/64/901019564.db2.gz MKILITZPZSZSQU-CYDGBPFRSA-N 2 1 285.388 -0.818 20 0 CBADMP CC[C@H](C(=O)N1CCC([N@@H+](C)CC(=O)NC)CC1)[NH+](C)C ZINC001394394205 901022259 /nfs/dbraw/zinc/02/22/59/901022259.db2.gz FHRDBFSALNBEHT-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001394500057 901039912 /nfs/dbraw/zinc/03/99/12/901039912.db2.gz HBPGJABLLKMRDZ-DGCLKSJQSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001394500057 901039919 /nfs/dbraw/zinc/03/99/19/901039919.db2.gz HBPGJABLLKMRDZ-DGCLKSJQSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001394536830 901046788 /nfs/dbraw/zinc/04/67/88/901046788.db2.gz FMPJNOFHUAXSMU-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccn2)C1 ZINC001394654346 901109967 /nfs/dbraw/zinc/10/99/67/901109967.db2.gz FKIUMNQUXVWDOM-JSGCOSHPSA-N 2 1 292.383 -0.400 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccn2)C1 ZINC001394654346 901109972 /nfs/dbraw/zinc/10/99/72/901109972.db2.gz FKIUMNQUXVWDOM-JSGCOSHPSA-N 2 1 292.383 -0.400 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnns2)C1 ZINC001394658169 901113131 /nfs/dbraw/zinc/11/31/31/901113131.db2.gz VFMATGXHZWODRM-VHSXEESVSA-N 2 1 299.400 -0.944 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnns2)C1 ZINC001394658169 901113145 /nfs/dbraw/zinc/11/31/45/901113145.db2.gz VFMATGXHZWODRM-VHSXEESVSA-N 2 1 299.400 -0.944 20 0 CBADMP CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccon1)[NH+](C)C ZINC001394750014 901139546 /nfs/dbraw/zinc/13/95/46/901139546.db2.gz MWGCYMHHGXXSIK-STQMWFEESA-N 2 1 298.387 -0.076 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001394772474 901149950 /nfs/dbraw/zinc/14/99/50/901149950.db2.gz XRUGMQFPTAACGS-OLZOCXBDSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001394772474 901149958 /nfs/dbraw/zinc/14/99/58/901149958.db2.gz XRUGMQFPTAACGS-OLZOCXBDSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001394772474 901149966 /nfs/dbraw/zinc/14/99/66/901149966.db2.gz XRUGMQFPTAACGS-OLZOCXBDSA-N 2 1 287.404 -0.786 20 0 CBADMP CC[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)[NH+](C)C ZINC001394780013 901154749 /nfs/dbraw/zinc/15/47/49/901154749.db2.gz CPSBWTPTLGNJIW-RYUDHWBXSA-N 2 1 275.393 -0.930 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@@H]1CC[N@H+]1CCO ZINC001397024223 901357200 /nfs/dbraw/zinc/35/72/00/901357200.db2.gz BWGZQGOJQBSCID-KBPBESRZSA-N 2 1 299.415 -0.520 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001397444059 901412438 /nfs/dbraw/zinc/41/24/38/901412438.db2.gz KJJZLCBAYMPXPI-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001397733023 901447682 /nfs/dbraw/zinc/44/76/82/901447682.db2.gz QNWXXRVCAQJNFE-NWDGAFQWSA-N 2 1 293.371 -0.449 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001397739594 901451391 /nfs/dbraw/zinc/45/13/91/901451391.db2.gz ZIGUPAKCMMYIAK-RWMBFGLXSA-N 2 1 296.415 -0.312 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC(N)=O ZINC001397740717 901451711 /nfs/dbraw/zinc/45/17/11/901451711.db2.gz MOZQRJSFCBAYAL-QWHCGFSZSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CC(N)=O ZINC001397740717 901451720 /nfs/dbraw/zinc/45/17/20/901451720.db2.gz MOZQRJSFCBAYAL-QWHCGFSZSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CC(N)=O ZINC001397740717 901451730 /nfs/dbraw/zinc/45/17/30/901451730.db2.gz MOZQRJSFCBAYAL-QWHCGFSZSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CC(N)=O ZINC001397740717 901451742 /nfs/dbraw/zinc/45/17/42/901451742.db2.gz MOZQRJSFCBAYAL-QWHCGFSZSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001397928730 901480529 /nfs/dbraw/zinc/48/05/29/901480529.db2.gz NQMRPLZMWKAYCY-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001397928730 901480536 /nfs/dbraw/zinc/48/05/36/901480536.db2.gz NQMRPLZMWKAYCY-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001397928730 901480541 /nfs/dbraw/zinc/48/05/41/901480541.db2.gz NQMRPLZMWKAYCY-CYBMUJFWSA-N 2 1 298.431 -0.147 20 0 CBADMP CN(C(=O)CC[NH+](C)C)C1CC[NH+](CC(N)=O)CC1 ZINC001398186084 901504779 /nfs/dbraw/zinc/50/47/79/901504779.db2.gz AOGGWTRVZAZNHL-UHFFFAOYSA-N 2 1 270.377 -0.654 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001398325320 901525668 /nfs/dbraw/zinc/52/56/68/901525668.db2.gz BGULSSGDHPXHSH-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001398325320 901525676 /nfs/dbraw/zinc/52/56/76/901525676.db2.gz BGULSSGDHPXHSH-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001398325320 901525689 /nfs/dbraw/zinc/52/56/89/901525689.db2.gz BGULSSGDHPXHSH-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001398325320 901525696 /nfs/dbraw/zinc/52/56/96/901525696.db2.gz BGULSSGDHPXHSH-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)OC)C2)C1 ZINC001398668796 901588376 /nfs/dbraw/zinc/58/83/76/901588376.db2.gz SNDUYLQWTAMBTR-FQUUOJAGSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)OC)C2)C1 ZINC001398668796 901588383 /nfs/dbraw/zinc/58/83/83/901588383.db2.gz SNDUYLQWTAMBTR-FQUUOJAGSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001398840417 901609528 /nfs/dbraw/zinc/60/95/28/901609528.db2.gz OOTKYBLTRWPGQC-UHFFFAOYSA-N 2 1 284.404 -0.170 20 0 CBADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)C2 ZINC001399039075 901654735 /nfs/dbraw/zinc/65/47/35/901654735.db2.gz UIANLPUWLLHXQS-ONGXEEELSA-N 2 1 293.371 -0.666 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001399110325 901666657 /nfs/dbraw/zinc/66/66/57/901666657.db2.gz REENIFHFROENLF-WCQYABFASA-N 2 1 296.419 -0.004 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001399114961 901668793 /nfs/dbraw/zinc/66/87/93/901668793.db2.gz SVNZIKQOQUORFH-WDEREUQCSA-N 2 1 297.407 -0.293 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001399114961 901668800 /nfs/dbraw/zinc/66/88/00/901668800.db2.gz SVNZIKQOQUORFH-WDEREUQCSA-N 2 1 297.407 -0.293 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCN1CCCC1=O ZINC001399112769 901669523 /nfs/dbraw/zinc/66/95/23/901669523.db2.gz LYOFWUDNFINIAV-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001399129719 901673445 /nfs/dbraw/zinc/67/34/45/901673445.db2.gz ZCDXCHBOQLEPEW-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001399129719 901673451 /nfs/dbraw/zinc/67/34/51/901673451.db2.gz ZCDXCHBOQLEPEW-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001399129701 901673794 /nfs/dbraw/zinc/67/37/94/901673794.db2.gz ZCDXCHBOQLEPEW-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001399129701 901673800 /nfs/dbraw/zinc/67/38/00/901673800.db2.gz ZCDXCHBOQLEPEW-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001399287643 901691279 /nfs/dbraw/zinc/69/12/79/901691279.db2.gz KHHBTKDATFCCBL-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001399287643 901691284 /nfs/dbraw/zinc/69/12/84/901691284.db2.gz KHHBTKDATFCCBL-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCN2C[C@H]3C)C1 ZINC001457420109 914561829 /nfs/dbraw/zinc/56/18/29/914561829.db2.gz ZRTKVQVJZPGFSY-MGPQQGTHSA-N 2 1 280.416 -0.073 20 0 CBADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)C1 ZINC001457420109 914561846 /nfs/dbraw/zinc/56/18/46/914561846.db2.gz ZRTKVQVJZPGFSY-MGPQQGTHSA-N 2 1 280.416 -0.073 20 0 CBADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001457420109 914561857 /nfs/dbraw/zinc/56/18/57/914561857.db2.gz ZRTKVQVJZPGFSY-MGPQQGTHSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001399675011 901770432 /nfs/dbraw/zinc/77/04/32/901770432.db2.gz YRBCYWMYZGIXDE-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001399675011 901770442 /nfs/dbraw/zinc/77/04/42/901770442.db2.gz YRBCYWMYZGIXDE-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC001399763670 901793014 /nfs/dbraw/zinc/79/30/14/901793014.db2.gz YBWFMWNXLBKSFF-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001399921911 901835297 /nfs/dbraw/zinc/83/52/97/901835297.db2.gz CNIQRFXZADKOSB-CYBMUJFWSA-N 2 1 294.403 -0.332 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001399936669 901838787 /nfs/dbraw/zinc/83/87/87/901838787.db2.gz XXIWSSPSIJZTRQ-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001399958365 901846638 /nfs/dbraw/zinc/84/66/38/901846638.db2.gz XDUDTPBHROOWEW-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001400064819 901869304 /nfs/dbraw/zinc/86/93/04/901869304.db2.gz DOGSFOOXEBRMQP-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001400065921 901870049 /nfs/dbraw/zinc/87/00/49/901870049.db2.gz FQDNSXXVFQPWGF-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001400063051 901870163 /nfs/dbraw/zinc/87/01/63/901870163.db2.gz YEXFPYOLYJOFAM-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001400086303 901873149 /nfs/dbraw/zinc/87/31/49/901873149.db2.gz NLKIPLOLINRYLY-GFCCVEGCSA-N 2 1 293.371 -0.530 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001400071243 901874667 /nfs/dbraw/zinc/87/46/67/901874667.db2.gz GDDATNVFWJOKLV-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001400172224 901889131 /nfs/dbraw/zinc/88/91/31/901889131.db2.gz IKPWMFDSTAEWRB-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001400624508 901982590 /nfs/dbraw/zinc/98/25/90/901982590.db2.gz LFSHYOYTASJLQY-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001400624508 901982601 /nfs/dbraw/zinc/98/26/01/901982601.db2.gz LFSHYOYTASJLQY-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001400624508 901982620 /nfs/dbraw/zinc/98/26/20/901982620.db2.gz LFSHYOYTASJLQY-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001400624508 901982629 /nfs/dbraw/zinc/98/26/29/901982629.db2.gz LFSHYOYTASJLQY-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+][C@H](C)C(N)=O ZINC001400856272 902027533 /nfs/dbraw/zinc/02/75/33/902027533.db2.gz ZICPFJFEEYCGGR-MNOVXSKESA-N 2 1 281.360 -0.450 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001400897986 902035212 /nfs/dbraw/zinc/03/52/12/902035212.db2.gz MIQFEYVECQMUKW-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001400897986 902035218 /nfs/dbraw/zinc/03/52/18/902035218.db2.gz MIQFEYVECQMUKW-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001400897976 902035373 /nfs/dbraw/zinc/03/53/73/902035373.db2.gz MIQFEYVECQMUKW-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001400897976 902035381 /nfs/dbraw/zinc/03/53/81/902035381.db2.gz MIQFEYVECQMUKW-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401009179 902041170 /nfs/dbraw/zinc/04/11/70/902041170.db2.gz MICPTJJRPWVNFQ-ABAIWWIYSA-N 2 1 296.415 -0.312 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001401117839 902057600 /nfs/dbraw/zinc/05/76/00/902057600.db2.gz WZTWQVLBPFSMLN-VXGBXAGGSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]CC(N)=O ZINC001401131814 902060601 /nfs/dbraw/zinc/06/06/01/902060601.db2.gz IDSZVWSIMHVGRY-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001401141353 902065142 /nfs/dbraw/zinc/06/51/42/902065142.db2.gz WXXWGYMESDAMNI-RYUDHWBXSA-N 2 1 284.404 -0.584 20 0 CBADMP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001401226076 902088319 /nfs/dbraw/zinc/08/83/19/902088319.db2.gz RWRCYWYRLMIKHA-PWSUYJOCSA-N 2 1 295.387 -0.108 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001401266419 902094839 /nfs/dbraw/zinc/09/48/39/902094839.db2.gz LZKBVOLKKZSXLB-LBPRGKRZSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001401262285 902095580 /nfs/dbraw/zinc/09/55/80/902095580.db2.gz PSEDPLLPQIBUQJ-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001401388709 902117365 /nfs/dbraw/zinc/11/73/65/902117365.db2.gz QOEXVTYZGLEZNY-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001401388709 902117370 /nfs/dbraw/zinc/11/73/70/902117370.db2.gz QOEXVTYZGLEZNY-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CCC[NH+](C)C ZINC001401387571 902119744 /nfs/dbraw/zinc/11/97/44/902119744.db2.gz HEEKMOWIVDRCBK-NSHDSACASA-N 2 1 272.393 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CCC[NH+](C)C ZINC001401387571 902119751 /nfs/dbraw/zinc/11/97/51/902119751.db2.gz HEEKMOWIVDRCBK-NSHDSACASA-N 2 1 272.393 -0.408 20 0 CBADMP CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001401612758 902190010 /nfs/dbraw/zinc/19/00/10/902190010.db2.gz YRDKGRYBXGZTTO-ZYHUDNBSSA-N 2 1 295.387 -0.060 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001401686623 902230395 /nfs/dbraw/zinc/23/03/95/902230395.db2.gz VDRLNZPDCOEMID-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001401703488 902238422 /nfs/dbraw/zinc/23/84/22/902238422.db2.gz UPDYVETUHALSMA-JQWIXIFHSA-N 2 1 282.392 -0.250 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001401793098 902280120 /nfs/dbraw/zinc/28/01/20/902280120.db2.gz BDFJSURNRBLESD-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001401793098 902280085 /nfs/dbraw/zinc/28/00/85/902280085.db2.gz BDFJSURNRBLESD-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001401793098 902280095 /nfs/dbraw/zinc/28/00/95/902280095.db2.gz BDFJSURNRBLESD-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401793098 902280105 /nfs/dbraw/zinc/28/01/05/902280105.db2.gz BDFJSURNRBLESD-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001401847165 902290262 /nfs/dbraw/zinc/29/02/62/902290262.db2.gz VPEPHDFKTMPEQW-OLZOCXBDSA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001401866505 902291605 /nfs/dbraw/zinc/29/16/05/902291605.db2.gz JMIPYFAUEVBCFP-LBPRGKRZSA-N 2 1 284.404 -0.443 20 0 CBADMP CO[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001401928020 902313631 /nfs/dbraw/zinc/31/36/31/902313631.db2.gz SCLXNTXPYQAWPQ-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CO[C@@H](C)C[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001401928020 902313640 /nfs/dbraw/zinc/31/36/40/902313640.db2.gz SCLXNTXPYQAWPQ-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CCNC(=O)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001401967866 902326409 /nfs/dbraw/zinc/32/64/09/902326409.db2.gz ULNPYCGPMKYVTH-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001401976917 902329979 /nfs/dbraw/zinc/32/99/79/902329979.db2.gz IIYLCVMWLSJCKV-LLVKDONJSA-N 2 1 282.388 -0.545 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001402018065 902337664 /nfs/dbraw/zinc/33/76/64/902337664.db2.gz GSAPOHCJQVAIIE-KWCYVHTRSA-N 2 1 299.415 -0.524 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001402018065 902337677 /nfs/dbraw/zinc/33/76/77/902337677.db2.gz GSAPOHCJQVAIIE-KWCYVHTRSA-N 2 1 299.415 -0.524 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(C)CCC[NH+](CC(N)=O)C2)C1 ZINC001402215183 902386505 /nfs/dbraw/zinc/38/65/05/902386505.db2.gz ACWJCHHAQCRTRM-IUODEOHRSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(C)CCC[NH+](CC(N)=O)C2)C1 ZINC001402215183 902386514 /nfs/dbraw/zinc/38/65/14/902386514.db2.gz ACWJCHHAQCRTRM-IUODEOHRSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(C)CCC[N@H+](CC(N)=O)C2)C1 ZINC001402215183 902386521 /nfs/dbraw/zinc/38/65/21/902386521.db2.gz ACWJCHHAQCRTRM-IUODEOHRSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(C)CCC[N@@H+](CC(N)=O)C2)C1 ZINC001402215183 902386532 /nfs/dbraw/zinc/38/65/32/902386532.db2.gz ACWJCHHAQCRTRM-IUODEOHRSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001402251445 902390100 /nfs/dbraw/zinc/39/01/00/902390100.db2.gz XFJFTZIFIDVCCL-OLZOCXBDSA-N 2 1 299.415 -0.426 20 0 CBADMP COC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001402290722 902413755 /nfs/dbraw/zinc/41/37/55/902413755.db2.gz MUGHGPCRPNDNBT-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001402301707 902415706 /nfs/dbraw/zinc/41/57/06/902415706.db2.gz GOMHGJDWGUGOTB-LBPRGKRZSA-N 2 1 293.371 -0.578 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001402370066 902438700 /nfs/dbraw/zinc/43/87/00/902438700.db2.gz XNMJTKVCMZVPRB-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001402378627 902439418 /nfs/dbraw/zinc/43/94/18/902439418.db2.gz QUFKIWCTWIBHDK-NSHDSACASA-N 2 1 279.344 -0.839 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001402370068 902440601 /nfs/dbraw/zinc/44/06/01/902440601.db2.gz XNMJTKVCMZVPRB-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1)c1nnnn1C ZINC001402444762 902451318 /nfs/dbraw/zinc/45/13/18/902451318.db2.gz OWRLJWDTGVAIKY-QWRGUYRKSA-N 2 1 295.391 -0.587 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001402546745 902475261 /nfs/dbraw/zinc/47/52/61/902475261.db2.gz FCFXZLKDNPYHTR-JHJVBQTASA-N 2 1 287.404 -0.429 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001402549097 902476401 /nfs/dbraw/zinc/47/64/01/902476401.db2.gz MVKMPDLSROZBSD-HAQNSBGRSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001402605985 902490110 /nfs/dbraw/zinc/49/01/10/902490110.db2.gz DKLIOBWOADPCSV-WISYIIOYSA-N 2 1 282.388 -0.548 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001402631648 902494393 /nfs/dbraw/zinc/49/43/93/902494393.db2.gz VRHWZAPQVSRVAL-XQQFMLRXSA-N 2 1 296.415 -0.156 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001402702627 902504935 /nfs/dbraw/zinc/50/49/35/902504935.db2.gz VEFWOUNECMCMDQ-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001402713821 902509284 /nfs/dbraw/zinc/50/92/84/902509284.db2.gz HSBMRIVTWCZGSQ-RYUDHWBXSA-N 2 1 282.388 -0.748 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001402861501 902542140 /nfs/dbraw/zinc/54/21/40/902542140.db2.gz LXXUVKMSIODBSG-WDEREUQCSA-N 2 1 272.393 -0.315 20 0 CBADMP Cc1ncoc1CN[C@@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001402865691 902543972 /nfs/dbraw/zinc/54/39/72/902543972.db2.gz LHEPCRQLSXFFCY-GWCFXTLKSA-N 2 1 296.371 -0.092 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)[C@H]1CCC[NH+]1C ZINC001458250639 914634567 /nfs/dbraw/zinc/63/45/67/914634567.db2.gz TZEDDLNPLCUJLD-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001458250639 914634571 /nfs/dbraw/zinc/63/45/71/914634571.db2.gz TZEDDLNPLCUJLD-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001458250639 914634572 /nfs/dbraw/zinc/63/45/72/914634572.db2.gz TZEDDLNPLCUJLD-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001402888796 902553545 /nfs/dbraw/zinc/55/35/45/902553545.db2.gz OUQPJZISVWWMGK-VXGBXAGGSA-N 2 1 284.404 -0.301 20 0 CBADMP C[N@@H+](CC(=O)NC1CC(C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001402928899 902565006 /nfs/dbraw/zinc/56/50/06/902565006.db2.gz VQXMRZJFEQYZGP-UHFFFAOYSA-N 2 1 282.388 -0.560 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(=O)N1CCC1 ZINC001403008475 902592232 /nfs/dbraw/zinc/59/22/32/902592232.db2.gz XVKPSWILIFYUPG-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001403032718 902598453 /nfs/dbraw/zinc/59/84/53/902598453.db2.gz JHGRJCFVOFIEMD-RYUDHWBXSA-N 2 1 286.420 -0.055 20 0 CBADMP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001403054691 902602780 /nfs/dbraw/zinc/60/27/80/902602780.db2.gz TUDRAIZSDXKILM-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H]1CCCNC1=O ZINC001403075468 902609708 /nfs/dbraw/zinc/60/97/08/902609708.db2.gz KPAQRVQETLENFL-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nncn1C ZINC001403091625 902613450 /nfs/dbraw/zinc/61/34/50/902613450.db2.gz ASWNWCYUZJYOGM-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nncn1C ZINC001403091625 902613456 /nfs/dbraw/zinc/61/34/56/902613456.db2.gz ASWNWCYUZJYOGM-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)CCCO ZINC001403107926 902615423 /nfs/dbraw/zinc/61/54/23/902615423.db2.gz FJPBBLMUMWDWJW-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)CCCO ZINC001403107926 902615429 /nfs/dbraw/zinc/61/54/29/902615429.db2.gz FJPBBLMUMWDWJW-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+](C)CCCO ZINC001403107926 902615432 /nfs/dbraw/zinc/61/54/32/902615432.db2.gz FJPBBLMUMWDWJW-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)CCCO ZINC001403107926 902615438 /nfs/dbraw/zinc/61/54/38/902615438.db2.gz FJPBBLMUMWDWJW-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H](C)C(=O)NC ZINC001403185763 902644188 /nfs/dbraw/zinc/64/41/88/902644188.db2.gz FRTJJXMZXFWXPL-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H](C)C(=O)NC ZINC001403185763 902644195 /nfs/dbraw/zinc/64/41/95/902644195.db2.gz FRTJJXMZXFWXPL-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(=O)NC ZINC001403185763 902644199 /nfs/dbraw/zinc/64/41/99/902644199.db2.gz FRTJJXMZXFWXPL-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(=O)NC ZINC001403185763 902644205 /nfs/dbraw/zinc/64/42/05/902644205.db2.gz FRTJJXMZXFWXPL-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)CC(N)=O ZINC001403203520 902648929 /nfs/dbraw/zinc/64/89/29/902648929.db2.gz XRVFAHCRZXDNFB-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)CC(N)=O ZINC001403203520 902648934 /nfs/dbraw/zinc/64/89/34/902648934.db2.gz XRVFAHCRZXDNFB-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001403332401 902668945 /nfs/dbraw/zinc/66/89/45/902668945.db2.gz RGEPQAJHAMXMBL-QWRGUYRKSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001403332401 902668956 /nfs/dbraw/zinc/66/89/56/902668956.db2.gz RGEPQAJHAMXMBL-QWRGUYRKSA-N 2 1 284.404 -0.362 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2C1 ZINC001403404560 902683827 /nfs/dbraw/zinc/68/38/27/902683827.db2.gz FKOFIUSRGWJTCS-YNEHKIRRSA-N 2 1 296.415 -0.360 20 0 CBADMP CNC(=O)C[N@@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001403466383 902695535 /nfs/dbraw/zinc/69/55/35/902695535.db2.gz KBBWQIRELGMDLE-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH+](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001403466383 902695541 /nfs/dbraw/zinc/69/55/41/902695541.db2.gz KBBWQIRELGMDLE-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001403466383 902695547 /nfs/dbraw/zinc/69/55/47/902695547.db2.gz KBBWQIRELGMDLE-UHFFFAOYSA-N 2 1 298.431 -0.005 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403465558 902696085 /nfs/dbraw/zinc/69/60/85/902696085.db2.gz JJCOGTHLFGUANK-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403522371 902713450 /nfs/dbraw/zinc/71/34/50/902713450.db2.gz IYSNXTRFBJXAAW-STQMWFEESA-N 2 1 296.415 -0.217 20 0 CBADMP COC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001403538755 902720397 /nfs/dbraw/zinc/72/03/97/902720397.db2.gz WFUDUPCHWULWEW-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP COC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001403538755 902720404 /nfs/dbraw/zinc/72/04/04/902720404.db2.gz WFUDUPCHWULWEW-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP COC[C@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001403538755 902720414 /nfs/dbraw/zinc/72/04/14/902720414.db2.gz WFUDUPCHWULWEW-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP COC[C@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001403538755 902720429 /nfs/dbraw/zinc/72/04/29/902720429.db2.gz WFUDUPCHWULWEW-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP COC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001403538748 902721388 /nfs/dbraw/zinc/72/13/88/902721388.db2.gz WFUDUPCHWULWEW-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP COC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001403538748 902721399 /nfs/dbraw/zinc/72/13/99/902721399.db2.gz WFUDUPCHWULWEW-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP COC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001403538748 902721409 /nfs/dbraw/zinc/72/14/09/902721409.db2.gz WFUDUPCHWULWEW-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP COC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001403538748 902721416 /nfs/dbraw/zinc/72/14/16/902721416.db2.gz WFUDUPCHWULWEW-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001403712907 902819927 /nfs/dbraw/zinc/81/99/27/902819927.db2.gz AXGLFNLEOTYMIL-VXGBXAGGSA-N 2 1 298.387 -0.110 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001403736431 902828348 /nfs/dbraw/zinc/82/83/48/902828348.db2.gz PZNDJDLPPTYHFF-LBPRGKRZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@H]1CCCNC1=O ZINC001403738131 902830264 /nfs/dbraw/zinc/83/02/64/902830264.db2.gz TWRIAEKVLQHGFC-LBPRGKRZSA-N 2 1 294.399 -0.591 20 0 CBADMP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@H]1CCCNC1=O ZINC001403738131 902830271 /nfs/dbraw/zinc/83/02/71/902830271.db2.gz TWRIAEKVLQHGFC-LBPRGKRZSA-N 2 1 294.399 -0.591 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001403752835 902836779 /nfs/dbraw/zinc/83/67/79/902836779.db2.gz QTRBNKKSMWHBTB-NWDGAFQWSA-N 2 1 284.404 -0.491 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O)[NH+](C)C ZINC001403752835 902836793 /nfs/dbraw/zinc/83/67/93/902836793.db2.gz QTRBNKKSMWHBTB-NWDGAFQWSA-N 2 1 284.404 -0.491 20 0 CBADMP CN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001403767519 902841329 /nfs/dbraw/zinc/84/13/29/902841329.db2.gz HRJPNDPUATVTEL-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001403767519 902841340 /nfs/dbraw/zinc/84/13/40/902841340.db2.gz HRJPNDPUATVTEL-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001403767519 902841351 /nfs/dbraw/zinc/84/13/51/902841351.db2.gz HRJPNDPUATVTEL-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001403767519 902841356 /nfs/dbraw/zinc/84/13/56/902841356.db2.gz HRJPNDPUATVTEL-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP CCN1CC[C@H]([N@H+](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001403768204 902842678 /nfs/dbraw/zinc/84/26/78/902842678.db2.gz VDLPQNVCZNZZMZ-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CCN1CC[C@H]([N@@H+](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001403768204 902842683 /nfs/dbraw/zinc/84/26/83/902842683.db2.gz VDLPQNVCZNZZMZ-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001403822507 902860605 /nfs/dbraw/zinc/86/06/05/902860605.db2.gz FXAWTWALFRHUDL-STQMWFEESA-N 2 1 287.404 -0.618 20 0 CBADMP CC(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001403822507 902860619 /nfs/dbraw/zinc/86/06/19/902860619.db2.gz FXAWTWALFRHUDL-STQMWFEESA-N 2 1 287.404 -0.618 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCN1[C@H]1CCNC1=O ZINC001404020393 902924131 /nfs/dbraw/zinc/92/41/31/902924131.db2.gz LHWICDWQMQGQEU-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@H]1CCNC1=O ZINC001404020393 902924136 /nfs/dbraw/zinc/92/41/36/902924136.db2.gz LHWICDWQMQGQEU-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@H]1CCNC1=O ZINC001404020393 902924146 /nfs/dbraw/zinc/92/41/46/902924146.db2.gz LHWICDWQMQGQEU-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001404020393 902924167 /nfs/dbraw/zinc/92/41/67/902924167.db2.gz LHWICDWQMQGQEU-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001404084537 902937214 /nfs/dbraw/zinc/93/72/14/902937214.db2.gz MMXIXMRMOZSLDH-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001458793515 914678762 /nfs/dbraw/zinc/67/87/62/914678762.db2.gz DZXQXKRGXKNJMB-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001404263194 902959463 /nfs/dbraw/zinc/95/94/63/902959463.db2.gz NKBJKBPAWHSEJQ-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001404263194 902959470 /nfs/dbraw/zinc/95/94/70/902959470.db2.gz NKBJKBPAWHSEJQ-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP NC(=O)C[N@H+](CCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001404298354 902965906 /nfs/dbraw/zinc/96/59/06/902965906.db2.gz NYXYDRFITUCBLL-UHFFFAOYSA-N 2 1 296.415 -0.072 20 0 CBADMP NC(=O)C[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001404298354 902965910 /nfs/dbraw/zinc/96/59/10/902965910.db2.gz NYXYDRFITUCBLL-UHFFFAOYSA-N 2 1 296.415 -0.072 20 0 CBADMP CC[C@H]([NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(N)=O ZINC001404321816 902973171 /nfs/dbraw/zinc/97/31/71/902973171.db2.gz MAYGWJWFYLXIIB-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H]([NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(N)=O ZINC001404321821 902973822 /nfs/dbraw/zinc/97/38/22/902973822.db2.gz MAYGWJWFYLXIIB-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H]([NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(N)=O ZINC001404321805 902975215 /nfs/dbraw/zinc/97/52/15/902975215.db2.gz MAYGWJWFYLXIIB-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001404519085 902995678 /nfs/dbraw/zinc/99/56/78/902995678.db2.gz PBPUVLVIPZYJBT-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001404519085 902995686 /nfs/dbraw/zinc/99/56/86/902995686.db2.gz PBPUVLVIPZYJBT-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001404519085 902995696 /nfs/dbraw/zinc/99/56/96/902995696.db2.gz PBPUVLVIPZYJBT-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP NC(=O)C[N@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001404510337 902995766 /nfs/dbraw/zinc/99/57/66/902995766.db2.gz FDKVBXHWDCZYQX-LBPRGKRZSA-N 2 1 294.399 -0.604 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001404594982 903003236 /nfs/dbraw/zinc/00/32/36/903003236.db2.gz FRYTYALQSYGHDR-LBPRGKRZSA-N 2 1 294.399 -0.652 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCCN([C@@H](C)C(N)=O)C1 ZINC001404707931 903016368 /nfs/dbraw/zinc/01/63/68/903016368.db2.gz HNHSABRPJHWUDM-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001404978250 903066686 /nfs/dbraw/zinc/06/66/86/903066686.db2.gz CNGOMKYWZZQIHF-RWMBFGLXSA-N 2 1 285.388 -0.770 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001405133736 903087773 /nfs/dbraw/zinc/08/77/73/903087773.db2.gz PNQFRWFHDFWQPJ-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001405133736 903087784 /nfs/dbraw/zinc/08/77/84/903087784.db2.gz PNQFRWFHDFWQPJ-NWDGAFQWSA-N 2 1 296.415 -0.265 20 0 CBADMP CNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001405363860 903157786 /nfs/dbraw/zinc/15/77/86/903157786.db2.gz SBSKXNUURUAVMY-LBPRGKRZSA-N 2 1 296.415 -0.155 20 0 CBADMP CNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001405429106 903165616 /nfs/dbraw/zinc/16/56/16/903165616.db2.gz BDYWAJFYJYMKRA-WFASDCNBSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001405723863 903210016 /nfs/dbraw/zinc/21/00/16/903210016.db2.gz VRTZPTROMLCGPV-NEPJUHHUSA-N 2 1 286.420 -0.197 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001405824516 903230479 /nfs/dbraw/zinc/23/04/79/903230479.db2.gz ZCXWPQUDUVZKCG-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001405831812 903234969 /nfs/dbraw/zinc/23/49/69/903234969.db2.gz HEGUECGDLTUGJB-ZYHUDNBSSA-N 2 1 293.371 -0.483 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001405891879 903245184 /nfs/dbraw/zinc/24/51/84/903245184.db2.gz NZRLMLXGQVBBSN-YPMHNXCESA-N 2 1 298.387 -0.365 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001406098910 903266838 /nfs/dbraw/zinc/26/68/38/903266838.db2.gz BZQLOLLHASPQGZ-WCQYABFASA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001406098910 903266854 /nfs/dbraw/zinc/26/68/54/903266854.db2.gz BZQLOLLHASPQGZ-WCQYABFASA-N 2 1 296.415 -0.408 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC)[NH+](C)C ZINC001406153568 903278792 /nfs/dbraw/zinc/27/87/92/903278792.db2.gz KPSHFCKIGAOOFW-VXGBXAGGSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC)[NH+](C)C ZINC001406153568 903278807 /nfs/dbraw/zinc/27/88/07/903278807.db2.gz KPSHFCKIGAOOFW-VXGBXAGGSA-N 2 1 286.420 -0.149 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)C[NH+]1CCCC1 ZINC001406165302 903286657 /nfs/dbraw/zinc/28/66/57/903286657.db2.gz NKWNAZXTHZUAAV-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)C[NH+]1CCCC1 ZINC001406165302 903286671 /nfs/dbraw/zinc/28/66/71/903286671.db2.gz NKWNAZXTHZUAAV-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001406262677 903329920 /nfs/dbraw/zinc/32/99/20/903329920.db2.gz XEOFEHYWVAFSNZ-SECBINFHSA-N 2 1 287.389 -0.944 20 0 CBADMP CC(C)CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001406380811 903383229 /nfs/dbraw/zinc/38/32/29/903383229.db2.gz LUWAFASPOVEAKF-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)CCC[NH+](C)C ZINC001406384476 903387618 /nfs/dbraw/zinc/38/76/18/903387618.db2.gz FXWDPMGRDNHRLA-MNOVXSKESA-N 2 1 297.407 -0.293 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnnn1C ZINC001406429076 903400824 /nfs/dbraw/zinc/40/08/24/903400824.db2.gz ZTEUVAOMFOAXOC-MNOVXSKESA-N 2 1 297.407 -0.293 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnnn1C ZINC001406429076 903400829 /nfs/dbraw/zinc/40/08/29/903400829.db2.gz ZTEUVAOMFOAXOC-MNOVXSKESA-N 2 1 297.407 -0.293 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001406509455 903419007 /nfs/dbraw/zinc/41/90/07/903419007.db2.gz AZPILDHLBFCGRC-AAEUAGOBSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001406548693 903429609 /nfs/dbraw/zinc/42/96/09/903429609.db2.gz QNRYOVHTRZMCBO-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CCn1ncc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001406559601 903430774 /nfs/dbraw/zinc/43/07/74/903430774.db2.gz LJFFYMWEOVGSSJ-NWDGAFQWSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001406559601 903430781 /nfs/dbraw/zinc/43/07/81/903430781.db2.gz LJFFYMWEOVGSSJ-NWDGAFQWSA-N 2 1 294.403 -0.156 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001406548695 903430812 /nfs/dbraw/zinc/43/08/12/903430812.db2.gz QNRYOVHTRZMCBO-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP CCn1cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001406565160 903433220 /nfs/dbraw/zinc/43/32/20/903433220.db2.gz UOKOEQFGGGHLSE-RYUDHWBXSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001406565160 903433224 /nfs/dbraw/zinc/43/32/24/903433224.db2.gz UOKOEQFGGGHLSE-RYUDHWBXSA-N 2 1 294.403 -0.156 20 0 CBADMP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001406695880 903464979 /nfs/dbraw/zinc/46/49/79/903464979.db2.gz OROJLKAXPZGXSJ-NEPJUHHUSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001406695880 903464985 /nfs/dbraw/zinc/46/49/85/903464985.db2.gz OROJLKAXPZGXSJ-NEPJUHHUSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@@H]1CCNC1=O ZINC001406694130 903465435 /nfs/dbraw/zinc/46/54/35/903465435.db2.gz LLKHMXIOJAPTJN-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@@H]1CCNC1=O ZINC001406694130 903465441 /nfs/dbraw/zinc/46/54/41/903465441.db2.gz LLKHMXIOJAPTJN-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001406694130 903465447 /nfs/dbraw/zinc/46/54/47/903465447.db2.gz LLKHMXIOJAPTJN-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001406694130 903465455 /nfs/dbraw/zinc/46/54/55/903465455.db2.gz LLKHMXIOJAPTJN-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001407369875 903583927 /nfs/dbraw/zinc/58/39/27/903583927.db2.gz SOKJFGVKNHSBEF-WFASDCNBSA-N 2 1 299.415 -0.738 20 0 CBADMP CO[C@@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001407378648 903589167 /nfs/dbraw/zinc/58/91/67/903589167.db2.gz DLWHLSILLBJXFN-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](O)CN1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001407421953 903602776 /nfs/dbraw/zinc/60/27/76/903602776.db2.gz ZDBCTCMXPCNSQV-VXGBXAGGSA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@@H](O)CN1CC(O)(CNC(=O)[C@H]2CCCCN2C)C1 ZINC001407421953 903602782 /nfs/dbraw/zinc/60/27/82/903602782.db2.gz ZDBCTCMXPCNSQV-VXGBXAGGSA-N 2 1 285.388 -0.986 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(C)C)C2)C1 ZINC001407483678 903620140 /nfs/dbraw/zinc/62/01/40/903620140.db2.gz YPTQGHPAOVANHF-GFCCVEGCSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(C)C)C2)C1 ZINC001407483678 903620147 /nfs/dbraw/zinc/62/01/47/903620147.db2.gz YPTQGHPAOVANHF-GFCCVEGCSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001407537643 903626029 /nfs/dbraw/zinc/62/60/29/903626029.db2.gz HLXGWOSFHYKTNG-NEPJUHHUSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@H](C(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1)[NH+](C)C ZINC001407631757 903638028 /nfs/dbraw/zinc/63/80/28/903638028.db2.gz RXMZAMJMSDXZMG-TZMCWYRMSA-N 2 1 287.404 -0.738 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC001407891081 903676070 /nfs/dbraw/zinc/67/60/70/903676070.db2.gz MLMYCLZOYDMMSI-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001407891081 903676077 /nfs/dbraw/zinc/67/60/77/903676077.db2.gz MLMYCLZOYDMMSI-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001407891081 903676082 /nfs/dbraw/zinc/67/60/82/903676082.db2.gz MLMYCLZOYDMMSI-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001407923419 903679262 /nfs/dbraw/zinc/67/92/62/903679262.db2.gz IOVOHZCCIBDICL-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001408183724 903728439 /nfs/dbraw/zinc/72/84/39/903728439.db2.gz FNPYJYZCQDBTFA-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001408212248 903730997 /nfs/dbraw/zinc/73/09/97/903730997.db2.gz PQSHEYBIHCZOQR-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001408334968 903750935 /nfs/dbraw/zinc/75/09/35/903750935.db2.gz HQGIDCFVCDPGJG-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001408334968 903750945 /nfs/dbraw/zinc/75/09/45/903750945.db2.gz HQGIDCFVCDPGJG-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001408348213 903755381 /nfs/dbraw/zinc/75/53/81/903755381.db2.gz ZOLIUPHLSBABLE-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001408351820 903757857 /nfs/dbraw/zinc/75/78/57/903757857.db2.gz ZHPXMNBXCPBOQG-GXTWGEPZSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001408351820 903757863 /nfs/dbraw/zinc/75/78/63/903757863.db2.gz ZHPXMNBXCPBOQG-GXTWGEPZSA-N 2 1 298.431 -0.019 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001409425852 903904512 /nfs/dbraw/zinc/90/45/12/903904512.db2.gz LDASQBUQFKGEOC-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CCNC(=O)C(C)(C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001460202110 914767662 /nfs/dbraw/zinc/76/76/62/914767662.db2.gz LJYLIUASYMPSDC-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001409614362 903941342 /nfs/dbraw/zinc/94/13/42/903941342.db2.gz PGSSLFJCTBADOX-XQQFMLRXSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001409614362 903941357 /nfs/dbraw/zinc/94/13/57/903941357.db2.gz PGSSLFJCTBADOX-XQQFMLRXSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001409614362 903941371 /nfs/dbraw/zinc/94/13/71/903941371.db2.gz PGSSLFJCTBADOX-XQQFMLRXSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001409614362 903941385 /nfs/dbraw/zinc/94/13/85/903941385.db2.gz PGSSLFJCTBADOX-XQQFMLRXSA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001409958799 903988115 /nfs/dbraw/zinc/98/81/15/903988115.db2.gz AZXJXKMMEVUIKC-WCQYABFASA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001409958799 903988127 /nfs/dbraw/zinc/98/81/27/903988127.db2.gz AZXJXKMMEVUIKC-WCQYABFASA-N 2 1 296.415 -0.348 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001410233709 904048407 /nfs/dbraw/zinc/04/84/07/904048407.db2.gz YBCFVFRUDQDXTN-JHJVBQTASA-N 2 1 296.415 -0.441 20 0 CBADMP CC(C)CC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001410588611 904137662 /nfs/dbraw/zinc/13/76/62/904137662.db2.gz XAACJNVSIBKYMM-CHWSQXEVSA-N 2 1 287.404 -0.570 20 0 CBADMP CC(C)CC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001410588611 904137665 /nfs/dbraw/zinc/13/76/65/904137665.db2.gz XAACJNVSIBKYMM-CHWSQXEVSA-N 2 1 287.404 -0.570 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCC2)C1 ZINC001410589196 904137735 /nfs/dbraw/zinc/13/77/35/904137735.db2.gz YAMOQECRUXKRBG-QWHCGFSZSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCC2)C1 ZINC001410589196 904137740 /nfs/dbraw/zinc/13/77/40/904137740.db2.gz YAMOQECRUXKRBG-QWHCGFSZSA-N 2 1 285.388 -0.816 20 0 CBADMP C[NH+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001410825833 904192261 /nfs/dbraw/zinc/19/22/61/904192261.db2.gz OWBMXSJAIULCBG-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001411011849 904224038 /nfs/dbraw/zinc/22/40/38/904224038.db2.gz OWILVEAWSMDYNL-OLZOCXBDSA-N 2 1 285.388 -0.864 20 0 CBADMP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001411011849 904224051 /nfs/dbraw/zinc/22/40/51/904224051.db2.gz OWILVEAWSMDYNL-OLZOCXBDSA-N 2 1 285.388 -0.864 20 0 CBADMP COCC[N@@H+](CCO)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001411213717 904263080 /nfs/dbraw/zinc/26/30/80/904263080.db2.gz HAIKOABJZCMJOC-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP COCC[NH+](CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001411213717 904263098 /nfs/dbraw/zinc/26/30/98/904263098.db2.gz HAIKOABJZCMJOC-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP COCC[NH+](CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001411213717 904263113 /nfs/dbraw/zinc/26/31/13/904263113.db2.gz HAIKOABJZCMJOC-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP COCC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC1CC1 ZINC001411218799 904270031 /nfs/dbraw/zinc/27/00/31/904270031.db2.gz VPLPUXZHVYGGJC-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC1CC1 ZINC001411218799 904270044 /nfs/dbraw/zinc/27/00/44/904270044.db2.gz VPLPUXZHVYGGJC-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)CC1CC1 ZINC001411218799 904270054 /nfs/dbraw/zinc/27/00/54/904270054.db2.gz VPLPUXZHVYGGJC-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC1CC1 ZINC001411218799 904270066 /nfs/dbraw/zinc/27/00/66/904270066.db2.gz VPLPUXZHVYGGJC-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC001412835588 904747690 /nfs/dbraw/zinc/74/76/90/904747690.db2.gz FLVABWHUHQMBTM-HIFRSBDPSA-N 2 1 298.431 -0.805 20 0 CBADMP C[NH+]1CCN(C2CN(C(=O)CC[N@H+]3CC[C@H](F)C3)C2)CC1 ZINC001412895125 904788082 /nfs/dbraw/zinc/78/80/82/904788082.db2.gz HBDINSYLZODLPN-ZDUSSCGKSA-N 2 1 298.406 -0.122 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)C(C)(C)O ZINC001412969057 904832014 /nfs/dbraw/zinc/83/20/14/904832014.db2.gz XKUHXLCJKBRUHP-CYBMUJFWSA-N 2 1 273.421 -0.313 20 0 CBADMP C[NH+](C)CCC(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001416126594 905715621 /nfs/dbraw/zinc/71/56/21/905715621.db2.gz OAGZNTGKLQOYHJ-ZDUSSCGKSA-N 2 1 296.415 -0.536 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001416815448 905809583 /nfs/dbraw/zinc/80/95/83/905809583.db2.gz GZELUMCKVNDZHJ-AGIUHOORSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001417769566 906049008 /nfs/dbraw/zinc/04/90/08/906049008.db2.gz DDMHHFVFDXVOOG-FRRDWIJNSA-N 2 1 296.415 -0.299 20 0 CBADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001417798352 906054377 /nfs/dbraw/zinc/05/43/77/906054377.db2.gz USUJINVWAYUQND-XYPYZODXSA-N 2 1 295.391 -0.854 20 0 CBADMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](C)[C@H]2C1)[C@@H]1CCC[C@H]1O ZINC001417873794 906084847 /nfs/dbraw/zinc/08/48/47/906084847.db2.gz MTOFOABXZSECAC-YIYPIFLZSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)[C@@H]1CCC[C@H]1O ZINC001417873794 906084861 /nfs/dbraw/zinc/08/48/61/906084861.db2.gz MTOFOABXZSECAC-YIYPIFLZSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)[C@@H]1CCC[C@H]1O ZINC001417873794 906084874 /nfs/dbraw/zinc/08/48/74/906084874.db2.gz MTOFOABXZSECAC-YIYPIFLZSA-N 2 1 281.400 -0.006 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001417944175 906119502 /nfs/dbraw/zinc/11/95/02/906119502.db2.gz MRBOLHMAEOPNBF-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001417944175 906119507 /nfs/dbraw/zinc/11/95/07/906119507.db2.gz MRBOLHMAEOPNBF-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001417944175 906119510 /nfs/dbraw/zinc/11/95/10/906119510.db2.gz MRBOLHMAEOPNBF-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001417944175 906119513 /nfs/dbraw/zinc/11/95/13/906119513.db2.gz MRBOLHMAEOPNBF-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(CC(=O)NC2CC2)C1 ZINC001417951201 906119535 /nfs/dbraw/zinc/11/95/35/906119535.db2.gz COKYWLJXGLYUIR-ZDUSSCGKSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001417945991 906121703 /nfs/dbraw/zinc/12/17/03/906121703.db2.gz SUXRQUBFQHEGNW-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001417945991 906121710 /nfs/dbraw/zinc/12/17/10/906121710.db2.gz SUXRQUBFQHEGNW-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001418007899 906135010 /nfs/dbraw/zinc/13/50/10/906135010.db2.gz BXGZWFFUCJGOAQ-PWSUYJOCSA-N 2 1 282.388 -0.702 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001418058135 906156165 /nfs/dbraw/zinc/15/61/65/906156165.db2.gz MOHROVVGSWSLNX-SYLRKERUSA-N 2 1 296.415 -0.302 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001418108592 906172999 /nfs/dbraw/zinc/17/29/99/906172999.db2.gz JPWCNJFBVMQUNU-TXEJJXNPSA-N 2 1 284.404 -0.299 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418121423 906175945 /nfs/dbraw/zinc/17/59/45/906175945.db2.gz DOPRVFODBDYJKP-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCn1nncc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001418209959 906210460 /nfs/dbraw/zinc/21/04/60/906210460.db2.gz FTBYIQRTZDMSMX-AAEUAGOBSA-N 2 1 294.403 -0.014 20 0 CBADMP C[C@@H]([NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001418232307 906227637 /nfs/dbraw/zinc/22/76/37/906227637.db2.gz CVUJDOVDCVLOSZ-VHSXEESVSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001418244495 906240248 /nfs/dbraw/zinc/24/02/48/906240248.db2.gz YQAMERCNXZWLNO-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001418284543 906260472 /nfs/dbraw/zinc/26/04/72/906260472.db2.gz OJJSNJFBCDJDDN-QWRGUYRKSA-N 2 1 295.387 -0.025 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001418314123 906278542 /nfs/dbraw/zinc/27/85/42/906278542.db2.gz RGYDKIOAFOJCOK-GHMZBOCLSA-N 2 1 272.393 -0.445 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001418314797 906280312 /nfs/dbraw/zinc/28/03/12/906280312.db2.gz VDMPQICHMWMQHA-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001418347030 906292835 /nfs/dbraw/zinc/29/28/35/906292835.db2.gz CDIUIRHJVUYMLF-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001418356909 906294239 /nfs/dbraw/zinc/29/42/39/906294239.db2.gz NHRMPNUBNKOMPG-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001418352041 906295723 /nfs/dbraw/zinc/29/57/23/906295723.db2.gz GVTISDKOVSEWID-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001418398203 906306631 /nfs/dbraw/zinc/30/66/31/906306631.db2.gz UUEUGJZLPJVGIY-YPMHNXCESA-N 2 1 296.415 -0.156 20 0 CBADMP CCCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418433583 906319937 /nfs/dbraw/zinc/31/99/37/906319937.db2.gz SGMYJJBAWCXWIF-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP Cn1nccc1CC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001418519322 906384857 /nfs/dbraw/zinc/38/48/57/906384857.db2.gz JPTKIAJROYUMBT-ZDUSSCGKSA-N 2 1 293.415 -0.038 20 0 CBADMP Cn1nccc1CC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001418519322 906384871 /nfs/dbraw/zinc/38/48/71/906384871.db2.gz JPTKIAJROYUMBT-ZDUSSCGKSA-N 2 1 293.415 -0.038 20 0 CBADMP Cn1nccc1CC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418519322 906384886 /nfs/dbraw/zinc/38/48/86/906384886.db2.gz JPTKIAJROYUMBT-ZDUSSCGKSA-N 2 1 293.415 -0.038 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@@H](C)C(N)=O ZINC001418632737 906434231 /nfs/dbraw/zinc/43/42/31/906434231.db2.gz GCLOSKLRPZCVIR-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@@H](C)C(N)=O ZINC001418632737 906434243 /nfs/dbraw/zinc/43/42/43/906434243.db2.gz GCLOSKLRPZCVIR-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001418632737 906434255 /nfs/dbraw/zinc/43/42/55/906434255.db2.gz GCLOSKLRPZCVIR-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001418632737 906434266 /nfs/dbraw/zinc/43/42/66/906434266.db2.gz GCLOSKLRPZCVIR-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001418694429 906451352 /nfs/dbraw/zinc/45/13/52/906451352.db2.gz VNSKYSWLXBAEGO-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001418694429 906451368 /nfs/dbraw/zinc/45/13/68/906451368.db2.gz VNSKYSWLXBAEGO-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001418694429 906451377 /nfs/dbraw/zinc/45/13/77/906451377.db2.gz VNSKYSWLXBAEGO-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CN(C)C(=O)CN1CC[C@H](CNC(=O)Cn2ccnc2)C1 ZINC001418715003 906455579 /nfs/dbraw/zinc/45/55/79/906455579.db2.gz YUVGDXLQEWCTSO-GFCCVEGCSA-N 2 1 293.371 -0.591 20 0 CBADMP CCC[N@@H+](CCNC(=O)Cn1ccnc1)[C@@H]1CCNC1=O ZINC001418735317 906460100 /nfs/dbraw/zinc/46/01/00/906460100.db2.gz ANDYEEGDTSYFDD-GFCCVEGCSA-N 2 1 293.371 -0.400 20 0 CBADMP CCCN(CCNC(=O)Cn1ccnc1)[C@@H]1CCNC1=O ZINC001418735317 906460110 /nfs/dbraw/zinc/46/01/10/906460110.db2.gz ANDYEEGDTSYFDD-GFCCVEGCSA-N 2 1 293.371 -0.400 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001418798113 906476298 /nfs/dbraw/zinc/47/62/98/906476298.db2.gz OQJJFHIZAFZMDF-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001418798113 906476306 /nfs/dbraw/zinc/47/63/06/906476306.db2.gz OQJJFHIZAFZMDF-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001418798113 906476314 /nfs/dbraw/zinc/47/63/14/906476314.db2.gz OQJJFHIZAFZMDF-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001418798113 906476327 /nfs/dbraw/zinc/47/63/27/906476327.db2.gz OQJJFHIZAFZMDF-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+](CCO)C1CC1 ZINC001418815254 906485580 /nfs/dbraw/zinc/48/55/80/906485580.db2.gz VQSZKVVADVRWHK-CYBMUJFWSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001418821634 906490766 /nfs/dbraw/zinc/49/07/66/906490766.db2.gz RRVFYNKIJIUALT-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001418888743 906501398 /nfs/dbraw/zinc/50/13/98/906501398.db2.gz PAFQVZAMCQTSFA-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001418888743 906501416 /nfs/dbraw/zinc/50/14/16/906501416.db2.gz PAFQVZAMCQTSFA-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001418888743 906501424 /nfs/dbraw/zinc/50/14/24/906501424.db2.gz PAFQVZAMCQTSFA-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001418942655 906523973 /nfs/dbraw/zinc/52/39/73/906523973.db2.gz VUGJSVXMRLKYIP-GFCCVEGCSA-N 2 1 296.415 -0.406 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@@H](C)C(N)=O)C1 ZINC001418954575 906529742 /nfs/dbraw/zinc/52/97/42/906529742.db2.gz HVYLLUZUPBIFGJ-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@@H](C)C(N)=O)C1 ZINC001418954575 906529750 /nfs/dbraw/zinc/52/97/50/906529750.db2.gz HVYLLUZUPBIFGJ-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001418954575 906529757 /nfs/dbraw/zinc/52/97/57/906529757.db2.gz HVYLLUZUPBIFGJ-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001418954575 906529773 /nfs/dbraw/zinc/52/97/73/906529773.db2.gz HVYLLUZUPBIFGJ-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC2CN(CC(=O)N(C)C)C2)C1 ZINC001419030462 906570995 /nfs/dbraw/zinc/57/09/95/906570995.db2.gz BRWFHHPOZDCKLY-LBPRGKRZSA-N 2 1 296.415 -0.536 20 0 CBADMP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001419065274 906581265 /nfs/dbraw/zinc/58/12/65/906581265.db2.gz WMRXBWALIHTWDE-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001419065274 906581275 /nfs/dbraw/zinc/58/12/75/906581275.db2.gz WMRXBWALIHTWDE-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001419097282 906596388 /nfs/dbraw/zinc/59/63/88/906596388.db2.gz JWEBSWMEDYXYFS-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001419097282 906596414 /nfs/dbraw/zinc/59/64/14/906596414.db2.gz JWEBSWMEDYXYFS-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001419097282 906596435 /nfs/dbraw/zinc/59/64/35/906596435.db2.gz JWEBSWMEDYXYFS-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001419097282 906596455 /nfs/dbraw/zinc/59/64/55/906596455.db2.gz JWEBSWMEDYXYFS-CHWSQXEVSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001419135113 906608208 /nfs/dbraw/zinc/60/82/08/906608208.db2.gz FVQYTSOZTCVWKS-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001419135113 906608213 /nfs/dbraw/zinc/60/82/13/906608213.db2.gz FVQYTSOZTCVWKS-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001419135113 906608216 /nfs/dbraw/zinc/60/82/16/906608216.db2.gz FVQYTSOZTCVWKS-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001419135113 906608223 /nfs/dbraw/zinc/60/82/23/906608223.db2.gz FVQYTSOZTCVWKS-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001419174652 906624944 /nfs/dbraw/zinc/62/49/44/906624944.db2.gz PEYBIPURHQSMSE-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001419174652 906624945 /nfs/dbraw/zinc/62/49/45/906624945.db2.gz PEYBIPURHQSMSE-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001419315651 906661622 /nfs/dbraw/zinc/66/16/22/906661622.db2.gz BWYLTGBZXBRMTF-OLZOCXBDSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001419315651 906661629 /nfs/dbraw/zinc/66/16/29/906661629.db2.gz BWYLTGBZXBRMTF-OLZOCXBDSA-N 2 1 285.388 -0.816 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001419389117 906676731 /nfs/dbraw/zinc/67/67/31/906676731.db2.gz DPGCZFKHBVEVDH-HAQNSBGRSA-N 2 1 284.404 -0.171 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001419412174 906683536 /nfs/dbraw/zinc/68/35/36/906683536.db2.gz JQIFXXMFYXUROK-CYDGBPFRSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]CC(N)=O ZINC001419472745 906697590 /nfs/dbraw/zinc/69/75/90/906697590.db2.gz VGXPCZACULASFU-SNVBAGLBSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]CC(=O)N(C)C ZINC001419474583 906699346 /nfs/dbraw/zinc/69/93/46/906699346.db2.gz ZUEGRICGXFAGQT-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@H]([NH2+]C[C@H](C)CNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001419490280 906703725 /nfs/dbraw/zinc/70/37/25/906703725.db2.gz XRTZZUBIXQILTQ-JQWIXIFHSA-N 2 1 295.387 -0.203 20 0 CBADMP CC[C@H]([NH2+]C[C@@H](C)CNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001419490284 906704330 /nfs/dbraw/zinc/70/43/30/906704330.db2.gz XRTZZUBIXQILTQ-PWSUYJOCSA-N 2 1 295.387 -0.203 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001419532213 906715289 /nfs/dbraw/zinc/71/52/89/906715289.db2.gz AWHUNINTRGNQGV-VHSXEESVSA-N 2 1 281.360 -0.593 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001419567110 906729074 /nfs/dbraw/zinc/72/90/74/906729074.db2.gz XXAIZDPCBDRAEK-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001419567110 906729091 /nfs/dbraw/zinc/72/90/91/906729091.db2.gz XXAIZDPCBDRAEK-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001419567110 906729104 /nfs/dbraw/zinc/72/91/04/906729104.db2.gz XXAIZDPCBDRAEK-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001419687211 906763726 /nfs/dbraw/zinc/76/37/26/906763726.db2.gz HEOSUKFJQMGRAT-DGCLKSJQSA-N 2 1 298.387 -0.365 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnnn1C ZINC001419717121 906784781 /nfs/dbraw/zinc/78/47/81/906784781.db2.gz VZJSNKNKLZSDRT-CMPLNLGQSA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nncn1C ZINC001419733929 906794068 /nfs/dbraw/zinc/79/40/68/906794068.db2.gz BBSZAHDYAJWEAI-QJPTWQEYSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1nncn1C ZINC001419733929 906794084 /nfs/dbraw/zinc/79/40/84/906794084.db2.gz BBSZAHDYAJWEAI-QJPTWQEYSA-N 2 1 294.403 -0.250 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001419766590 906806049 /nfs/dbraw/zinc/80/60/49/906806049.db2.gz DWBURKLLZCHYQW-GHMZBOCLSA-N 2 1 282.392 -0.250 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001419766014 906808976 /nfs/dbraw/zinc/80/89/76/906808976.db2.gz MQWDPUZCDUKARN-GHMZBOCLSA-N 2 1 272.393 -0.363 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419800688 906819257 /nfs/dbraw/zinc/81/92/57/906819257.db2.gz RZRGOFZQHNVHCA-QWHCGFSZSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001419904794 906853648 /nfs/dbraw/zinc/85/36/48/906853648.db2.gz QIXKUZLEPKARTD-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001419925282 906859127 /nfs/dbraw/zinc/85/91/27/906859127.db2.gz OQWYSAWTICYSEJ-QWRGUYRKSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001419925282 906859134 /nfs/dbraw/zinc/85/91/34/906859134.db2.gz OQWYSAWTICYSEJ-QWRGUYRKSA-N 2 1 280.376 -0.639 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001420012667 906894982 /nfs/dbraw/zinc/89/49/82/906894982.db2.gz KXNFTSAIGZHRIJ-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001420090660 906928943 /nfs/dbraw/zinc/92/89/43/906928943.db2.gz HRMVWRCGPVVHMM-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccns1 ZINC001420090466 906929369 /nfs/dbraw/zinc/92/93/69/906929369.db2.gz AJLUQOAUYOJHTB-CMPLNLGQSA-N 2 1 298.412 -0.196 20 0 CBADMP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001420165379 906977814 /nfs/dbraw/zinc/97/78/14/906977814.db2.gz BFXJNEVSSUZXSQ-CHWSQXEVSA-N 2 1 295.387 -0.919 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@@H]1CCOC1 ZINC001420195901 907005171 /nfs/dbraw/zinc/00/51/71/907005171.db2.gz MGCAVAHPTNZCCG-STQMWFEESA-N 2 1 285.388 -0.599 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@@H]1CCOC1 ZINC001420195901 907005192 /nfs/dbraw/zinc/00/51/92/907005192.db2.gz MGCAVAHPTNZCCG-STQMWFEESA-N 2 1 285.388 -0.599 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C[C@@H]1CCOC1 ZINC001420195901 907005211 /nfs/dbraw/zinc/00/52/11/907005211.db2.gz MGCAVAHPTNZCCG-STQMWFEESA-N 2 1 285.388 -0.599 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@@H]1CCOC1 ZINC001420195901 907005236 /nfs/dbraw/zinc/00/52/36/907005236.db2.gz MGCAVAHPTNZCCG-STQMWFEESA-N 2 1 285.388 -0.599 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC[C@H]1CCOC1 ZINC001420194811 907007117 /nfs/dbraw/zinc/00/71/17/907007117.db2.gz HYDRZBCBLMBOIW-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC[C@H]1CCOC1 ZINC001420194811 907007137 /nfs/dbraw/zinc/00/71/37/907007137.db2.gz HYDRZBCBLMBOIW-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)CC[C@H]1CCOC1 ZINC001420194811 907007156 /nfs/dbraw/zinc/00/71/56/907007156.db2.gz HYDRZBCBLMBOIW-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC[C@H]1CCOC1 ZINC001420194811 907007175 /nfs/dbraw/zinc/00/71/75/907007175.db2.gz HYDRZBCBLMBOIW-UONOGXRCSA-N 2 1 299.415 -0.208 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001420246398 907041888 /nfs/dbraw/zinc/04/18/88/907041888.db2.gz OUSIXFAJKHNCQX-RYUDHWBXSA-N 2 1 284.404 -0.301 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001420246395 907045595 /nfs/dbraw/zinc/04/55/95/907045595.db2.gz OUSIXFAJKHNCQX-NWDGAFQWSA-N 2 1 284.404 -0.301 20 0 CBADMP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC001420280146 907068380 /nfs/dbraw/zinc/06/83/80/907068380.db2.gz GJLWIYBOTKDBCH-GFCCVEGCSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC001420280146 907068398 /nfs/dbraw/zinc/06/83/98/907068398.db2.gz GJLWIYBOTKDBCH-GFCCVEGCSA-N 2 1 282.388 -0.735 20 0 CBADMP CCN1CC[C@@H]([N@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001420288058 907075355 /nfs/dbraw/zinc/07/53/55/907075355.db2.gz BSPBWOTYAANHFF-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCN1CC[C@@H]([N@@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001420288058 907075373 /nfs/dbraw/zinc/07/53/73/907075373.db2.gz BSPBWOTYAANHFF-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001420297759 907078384 /nfs/dbraw/zinc/07/83/84/907078384.db2.gz VXCBJAPJSOXYPC-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@H](O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001420297759 907078399 /nfs/dbraw/zinc/07/83/99/907078399.db2.gz VXCBJAPJSOXYPC-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@H](O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001420297759 907078415 /nfs/dbraw/zinc/07/84/15/907078415.db2.gz VXCBJAPJSOXYPC-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001420321671 907098502 /nfs/dbraw/zinc/09/85/02/907098502.db2.gz NUYMAIBJMHGQPD-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001420334431 907108094 /nfs/dbraw/zinc/10/80/94/907108094.db2.gz PZNDJDLPPTYHFF-GFCCVEGCSA-N 2 1 285.388 -0.863 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001420371435 907122670 /nfs/dbraw/zinc/12/26/70/907122670.db2.gz PGIVNUXXWWETEQ-MNOVXSKESA-N 2 1 295.387 -0.237 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001420366297 907122716 /nfs/dbraw/zinc/12/27/16/907122716.db2.gz OENAJFVMWPKEQP-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001420366297 907122724 /nfs/dbraw/zinc/12/27/24/907122724.db2.gz OENAJFVMWPKEQP-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001420365267 907122788 /nfs/dbraw/zinc/12/27/88/907122788.db2.gz JDBIOKJVGFOLOC-FRRDWIJNSA-N 2 1 287.404 -0.570 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001420371155 907124043 /nfs/dbraw/zinc/12/40/43/907124043.db2.gz OACGEXLZWWUDNW-LLVKDONJSA-N 2 1 293.371 -0.482 20 0 CBADMP CC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@H]1CCNC1=O ZINC001420401338 907140174 /nfs/dbraw/zinc/14/01/74/907140174.db2.gz VNFHMMPPOVGKHF-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)CC(=O)N(C)C ZINC001420398989 907141884 /nfs/dbraw/zinc/14/18/84/907141884.db2.gz OYNMHFOZRZHBGY-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)CC(=O)N(C)C ZINC001420398989 907141886 /nfs/dbraw/zinc/14/18/86/907141886.db2.gz OYNMHFOZRZHBGY-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC(C)CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001420404009 907146766 /nfs/dbraw/zinc/14/67/66/907146766.db2.gz LUWAFASPOVEAKF-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]1CCNC1=O ZINC001420438972 907157911 /nfs/dbraw/zinc/15/79/11/907157911.db2.gz XNAQBYJBMZWDCO-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)[C@H]1CCCNC1=O ZINC001420445576 907166536 /nfs/dbraw/zinc/16/65/36/907166536.db2.gz XIEVTRQHROFYLQ-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001420561662 907210354 /nfs/dbraw/zinc/21/03/54/907210354.db2.gz OFNBEHYZGVZJAE-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001420561662 907210364 /nfs/dbraw/zinc/21/03/64/907210364.db2.gz OFNBEHYZGVZJAE-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001420561662 907210341 /nfs/dbraw/zinc/21/03/41/907210341.db2.gz OFNBEHYZGVZJAE-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001420562934 907216452 /nfs/dbraw/zinc/21/64/52/907216452.db2.gz IRBIRLXZIALESI-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001420562934 907216477 /nfs/dbraw/zinc/21/64/77/907216477.db2.gz IRBIRLXZIALESI-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001420562934 907216491 /nfs/dbraw/zinc/21/64/91/907216491.db2.gz IRBIRLXZIALESI-CHWSQXEVSA-N 2 1 296.415 -0.488 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@H](C)O ZINC001420579445 907222208 /nfs/dbraw/zinc/22/22/08/907222208.db2.gz VXUOHZMLKIESPF-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@H](C)O ZINC001420579445 907222230 /nfs/dbraw/zinc/22/22/30/907222230.db2.gz VXUOHZMLKIESPF-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C[C@H](C)O ZINC001420579445 907222248 /nfs/dbraw/zinc/22/22/48/907222248.db2.gz VXUOHZMLKIESPF-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@H](C)O ZINC001420579445 907222268 /nfs/dbraw/zinc/22/22/68/907222268.db2.gz VXUOHZMLKIESPF-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@H](C)O ZINC001420579443 907223285 /nfs/dbraw/zinc/22/32/85/907223285.db2.gz VXUOHZMLKIESPF-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@H](C)O ZINC001420579443 907223299 /nfs/dbraw/zinc/22/32/99/907223299.db2.gz VXUOHZMLKIESPF-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C[C@H](C)O ZINC001420579443 907223312 /nfs/dbraw/zinc/22/33/12/907223312.db2.gz VXUOHZMLKIESPF-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C[C@H](C)O ZINC001420579443 907223327 /nfs/dbraw/zinc/22/33/27/907223327.db2.gz VXUOHZMLKIESPF-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001420611184 907238664 /nfs/dbraw/zinc/23/86/64/907238664.db2.gz BBZYLRMKCWTNJB-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001420611184 907238677 /nfs/dbraw/zinc/23/86/77/907238677.db2.gz BBZYLRMKCWTNJB-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001420611188 907239910 /nfs/dbraw/zinc/23/99/10/907239910.db2.gz BBZYLRMKCWTNJB-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001420611188 907239927 /nfs/dbraw/zinc/23/99/27/907239927.db2.gz BBZYLRMKCWTNJB-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001420661360 907259265 /nfs/dbraw/zinc/25/92/65/907259265.db2.gz OBPYFDFUEZARRR-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC ZINC001420739231 907289359 /nfs/dbraw/zinc/28/93/59/907289359.db2.gz JMTISVLRUAZQKH-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001420745937 907293490 /nfs/dbraw/zinc/29/34/90/907293490.db2.gz HKNHTWSZDYZWMY-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP CN1CCC[C@H]([N@@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001420876679 907334430 /nfs/dbraw/zinc/33/44/30/907334430.db2.gz MCWFEVNEXLCDGF-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CCC[C@H]([N@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001420876679 907334450 /nfs/dbraw/zinc/33/44/50/907334450.db2.gz MCWFEVNEXLCDGF-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001420936689 907363863 /nfs/dbraw/zinc/36/38/63/907363863.db2.gz IAWDOBSUJZJPFX-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001420952288 907372984 /nfs/dbraw/zinc/37/29/84/907372984.db2.gz WXQJNBZLANWNDG-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP Cn1ncnc1CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001421000755 907386382 /nfs/dbraw/zinc/38/63/82/907386382.db2.gz FNLQZBNTEICFDN-LLVKDONJSA-N 2 1 292.387 -0.495 20 0 CBADMP C[C@H](O)C[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001421173693 907453075 /nfs/dbraw/zinc/45/30/75/907453075.db2.gz SPSSLFQVAPFSBP-LBPRGKRZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001421184992 907453157 /nfs/dbraw/zinc/45/31/57/907453157.db2.gz DLJZYVOZWORURW-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001421185874 907458151 /nfs/dbraw/zinc/45/81/51/907458151.db2.gz CTODMGHXNMTLEJ-LBPRGKRZSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001421185874 907458157 /nfs/dbraw/zinc/45/81/57/907458157.db2.gz CTODMGHXNMTLEJ-LBPRGKRZSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC)C1 ZINC001421249940 907476284 /nfs/dbraw/zinc/47/62/84/907476284.db2.gz ILVZSPOTBQMRBK-OAHLLOKOSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@@]1(CNC(=O)C[NH+]2CCCC2)CCC[N@@H+](CC(N)=O)C1 ZINC001421293320 907485133 /nfs/dbraw/zinc/48/51/33/907485133.db2.gz HKAYKNTUBPWFND-HNNXBMFYSA-N 2 1 296.415 -0.214 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001421383771 907513814 /nfs/dbraw/zinc/51/38/14/907513814.db2.gz CSIYGLRZSDPOKZ-JSGCOSHPSA-N 2 1 287.404 -0.740 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](C[C@H](C)O)C1 ZINC001421383771 907513827 /nfs/dbraw/zinc/51/38/27/907513827.db2.gz CSIYGLRZSDPOKZ-JSGCOSHPSA-N 2 1 287.404 -0.740 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](C[C@H](C)O)C1 ZINC001421383771 907513836 /nfs/dbraw/zinc/51/38/36/907513836.db2.gz CSIYGLRZSDPOKZ-JSGCOSHPSA-N 2 1 287.404 -0.740 20 0 CBADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]CC(=O)N(C)C ZINC001421488387 907567393 /nfs/dbraw/zinc/56/73/93/907567393.db2.gz HVWSCQNDHHNOET-LBPRGKRZSA-N 2 1 295.387 -0.236 20 0 CBADMP CNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001421526329 907575414 /nfs/dbraw/zinc/57/54/14/907575414.db2.gz HBVDDCBNKLDPAP-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cn(C)nn1 ZINC001421682452 907611801 /nfs/dbraw/zinc/61/18/01/907611801.db2.gz ZVKRVZVRDYDGEG-AAEUAGOBSA-N 2 1 294.403 -0.249 20 0 CBADMP Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)CC[NH+](C)C)nn1 ZINC001421748650 907632576 /nfs/dbraw/zinc/63/25/76/907632576.db2.gz HPYUKWGCQGRJQB-CYBMUJFWSA-N 2 1 294.403 -0.153 20 0 CBADMP CC(C)(O)[C@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC001421866238 907661518 /nfs/dbraw/zinc/66/15/18/907661518.db2.gz WBFDGMVVDXJTJN-CYBMUJFWSA-N 2 1 286.416 -0.055 20 0 CBADMP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001422012544 907701602 /nfs/dbraw/zinc/70/16/02/907701602.db2.gz GYINKBMXPVUEFR-STQMWFEESA-N 2 1 298.431 -0.066 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001422013142 907702354 /nfs/dbraw/zinc/70/23/54/907702354.db2.gz FCCUDBWCQZPXNX-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)N(C)C ZINC001422128016 907721073 /nfs/dbraw/zinc/72/10/73/907721073.db2.gz OFBMZQSHEGWKAS-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[NH+]1C ZINC001422182796 907740166 /nfs/dbraw/zinc/74/01/66/907740166.db2.gz OHVMDALETHYHOS-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[NH+]1C ZINC001422182796 907740174 /nfs/dbraw/zinc/74/01/74/907740174.db2.gz OHVMDALETHYHOS-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001422182796 907740180 /nfs/dbraw/zinc/74/01/80/907740180.db2.gz OHVMDALETHYHOS-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001422182796 907740190 /nfs/dbraw/zinc/74/01/90/907740190.db2.gz OHVMDALETHYHOS-CHWSQXEVSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001502375690 921351532 /nfs/dbraw/zinc/35/15/32/921351532.db2.gz QIQCUINYCLSWLK-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001502375690 921351540 /nfs/dbraw/zinc/35/15/40/921351540.db2.gz QIQCUINYCLSWLK-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CC(C[NH2+]CC(=O)N(C)C)C1 ZINC001422283631 907777456 /nfs/dbraw/zinc/77/74/56/907777456.db2.gz AVMIUABDMXDEKW-UHFFFAOYSA-N 2 1 298.431 -0.101 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1)C1CCC1 ZINC001422321121 907797685 /nfs/dbraw/zinc/79/76/85/907797685.db2.gz WPXRQGYGTOBIMD-GXTWGEPZSA-N 2 1 299.415 -0.426 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NC ZINC001422419933 907849110 /nfs/dbraw/zinc/84/91/10/907849110.db2.gz OSBOAIBZHJACPO-GHMZBOCLSA-N 2 1 272.393 -0.443 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001422436810 907858735 /nfs/dbraw/zinc/85/87/35/907858735.db2.gz KEUSATFENWAUOO-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001422449174 907860712 /nfs/dbraw/zinc/86/07/12/907860712.db2.gz JQLCFNCCTGVAJN-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)Cn1cc[nH+]c1C ZINC001422458567 907868499 /nfs/dbraw/zinc/86/84/99/907868499.db2.gz KPISZDFWAJTCFZ-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001422454715 907868569 /nfs/dbraw/zinc/86/85/69/907868569.db2.gz QBLKOCDEEFNCDR-GHMZBOCLSA-N 2 1 297.407 -0.467 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001422454715 907868576 /nfs/dbraw/zinc/86/85/76/907868576.db2.gz QBLKOCDEEFNCDR-GHMZBOCLSA-N 2 1 297.407 -0.467 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@H](C)C(N)=O ZINC001422552137 907918163 /nfs/dbraw/zinc/91/81/63/907918163.db2.gz MPOOGFKARPTOOR-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@H](C)C(N)=O ZINC001422552137 907918177 /nfs/dbraw/zinc/91/81/77/907918177.db2.gz MPOOGFKARPTOOR-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001422596671 907935942 /nfs/dbraw/zinc/93/59/42/907935942.db2.gz JKVPZEXLBRVKTD-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001422596664 907936792 /nfs/dbraw/zinc/93/67/92/907936792.db2.gz JKVPZEXLBRVKTD-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422592009 907937314 /nfs/dbraw/zinc/93/73/14/907937314.db2.gz UXWKWIXAJOVKPR-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001422648461 907968141 /nfs/dbraw/zinc/96/81/41/907968141.db2.gz IRKSOAOSLHVTHF-DMDPSCGWSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001422648461 907968152 /nfs/dbraw/zinc/96/81/52/907968152.db2.gz IRKSOAOSLHVTHF-DMDPSCGWSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C1CC[NH+](C)CC1 ZINC001422695223 907974954 /nfs/dbraw/zinc/97/49/54/907974954.db2.gz JMQRSUXUSHXQIU-NSHDSACASA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H]([NH2+]C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001422693969 907976910 /nfs/dbraw/zinc/97/69/10/907976910.db2.gz AJLOLQGEWASAKS-WDEREUQCSA-N 2 1 286.420 -0.068 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001422733298 907987394 /nfs/dbraw/zinc/98/73/94/907987394.db2.gz ZFMYPSDGNLPMOD-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422748122 907995648 /nfs/dbraw/zinc/99/56/48/907995648.db2.gz WFKDECXABDATKG-NWDGAFQWSA-N 2 1 294.403 -0.156 20 0 CBADMP CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422748122 907995657 /nfs/dbraw/zinc/99/56/57/907995657.db2.gz WFKDECXABDATKG-NWDGAFQWSA-N 2 1 294.403 -0.156 20 0 CBADMP COCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001502600558 921371882 /nfs/dbraw/zinc/37/18/82/921371882.db2.gz XJHZXCWGOGHEFB-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001422817571 908024812 /nfs/dbraw/zinc/02/48/12/908024812.db2.gz BZTNSASMZXAFED-XYYAHUGASA-N 2 1 296.415 -0.632 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H]1CCCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001422929375 908055948 /nfs/dbraw/zinc/05/59/48/908055948.db2.gz GGZLMTDQLAHICH-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001423046431 908090298 /nfs/dbraw/zinc/09/02/98/908090298.db2.gz ADWKYPHCWKPPRO-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nncn1C ZINC001423169426 908126369 /nfs/dbraw/zinc/12/63/69/908126369.db2.gz QJYFZCRECISLGJ-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001423169426 908126384 /nfs/dbraw/zinc/12/63/84/908126384.db2.gz QJYFZCRECISLGJ-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001423279796 908188658 /nfs/dbraw/zinc/18/86/58/908188658.db2.gz LPGNASPZWPUXIC-LLVKDONJSA-N 2 1 282.388 -0.687 20 0 CBADMP CO[C@@H](C)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001423304606 908197792 /nfs/dbraw/zinc/19/77/92/908197792.db2.gz QEDIIPFYPMYPJJ-JQWIXIFHSA-N 2 1 284.360 -0.707 20 0 CBADMP C[C@H]1[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CC[NH+](C)C ZINC001423333801 908208171 /nfs/dbraw/zinc/20/81/71/908208171.db2.gz XCBKLQBDZBWNLD-WCQYABFASA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1[NH2+]CCCO ZINC001502748624 921389571 /nfs/dbraw/zinc/38/95/71/921389571.db2.gz WRSNUFRSEVXVLD-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001423353582 908210051 /nfs/dbraw/zinc/21/00/51/908210051.db2.gz YXFOGLHPYSFYPY-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001423434081 908234266 /nfs/dbraw/zinc/23/42/66/908234266.db2.gz DCCSEHLVDVLWEF-DGCLKSJQSA-N 2 1 285.388 -0.912 20 0 CBADMP COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001423434081 908234279 /nfs/dbraw/zinc/23/42/79/908234279.db2.gz DCCSEHLVDVLWEF-DGCLKSJQSA-N 2 1 285.388 -0.912 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001502805429 921393520 /nfs/dbraw/zinc/39/35/20/921393520.db2.gz GORWDUAPXIZYDF-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001423523901 908265359 /nfs/dbraw/zinc/26/53/59/908265359.db2.gz IMXJVCDNXFRCMD-CYBMUJFWSA-N 2 1 298.387 -0.411 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001423523901 908265374 /nfs/dbraw/zinc/26/53/74/908265374.db2.gz IMXJVCDNXFRCMD-CYBMUJFWSA-N 2 1 298.387 -0.411 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CCCC1 ZINC001423515694 908265706 /nfs/dbraw/zinc/26/57/06/908265706.db2.gz OJECZWHCTXGJDN-STQMWFEESA-N 2 1 296.415 -0.170 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001423535380 908274570 /nfs/dbraw/zinc/27/45/70/908274570.db2.gz ABWUNZCLQRNKNY-GFCCVEGCSA-N 2 1 287.404 -0.928 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001423586450 908283812 /nfs/dbraw/zinc/28/38/12/908283812.db2.gz NWTXZFJQEWQGGN-FZMZJTMJSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001423586450 908283822 /nfs/dbraw/zinc/28/38/22/908283822.db2.gz NWTXZFJQEWQGGN-FZMZJTMJSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001423586450 908283836 /nfs/dbraw/zinc/28/38/36/908283836.db2.gz NWTXZFJQEWQGGN-FZMZJTMJSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001423586450 908283858 /nfs/dbraw/zinc/28/38/58/908283858.db2.gz NWTXZFJQEWQGGN-FZMZJTMJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001423589511 908292966 /nfs/dbraw/zinc/29/29/66/908292966.db2.gz UFGAYCWFJUFHFY-FZMZJTMJSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001423948229 908375467 /nfs/dbraw/zinc/37/54/67/908375467.db2.gz MMDAWWSWNDDKKP-QWHCGFSZSA-N 2 1 298.431 -0.112 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001424115000 908413982 /nfs/dbraw/zinc/41/39/82/908413982.db2.gz RZUUBNUIKPLDBC-UHFFFAOYSA-N 2 1 296.415 -0.262 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001424219903 908425925 /nfs/dbraw/zinc/42/59/25/908425925.db2.gz UIWNZWNQMAZWMI-UHFFFAOYSA-N 2 1 279.344 -0.695 20 0 CBADMP C[C@@H]([NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001503429620 921409399 /nfs/dbraw/zinc/40/93/99/921409399.db2.gz ZTMASSFEJNKBBE-TUAOUCFPSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001424297407 908440847 /nfs/dbraw/zinc/44/08/47/908440847.db2.gz QILPWFIVFHLZBE-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001424546329 908469189 /nfs/dbraw/zinc/46/91/89/908469189.db2.gz JVZYKIBPKRSPPH-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001424758266 908499377 /nfs/dbraw/zinc/49/93/77/908499377.db2.gz ZLNQVVHXYLPRFJ-WXRRBKDZSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CC(N)=O ZINC001424802396 908507963 /nfs/dbraw/zinc/50/79/63/908507963.db2.gz GYMBSDFVTRWXED-WDEREUQCSA-N 2 1 286.420 -0.068 20 0 CBADMP C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CC(N)=O ZINC001424802392 908508734 /nfs/dbraw/zinc/50/87/34/908508734.db2.gz GYMBSDFVTRWXED-QWRGUYRKSA-N 2 1 286.420 -0.068 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CCN1CCCC1=O ZINC001425003870 908549619 /nfs/dbraw/zinc/54/96/19/908549619.db2.gz CAUKNWSRVJFFEP-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2(CO)CC[NH+](CCCO)CC2)C1 ZINC001505393063 921419295 /nfs/dbraw/zinc/41/92/95/921419295.db2.gz NGOVRZDXDQAQFN-CYBMUJFWSA-N 2 1 299.415 -0.736 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H](C)C(N)=O ZINC001425058209 908565904 /nfs/dbraw/zinc/56/59/04/908565904.db2.gz SQYHEORWLTWEFU-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H](C)C(N)=O ZINC001425058209 908565921 /nfs/dbraw/zinc/56/59/21/908565921.db2.gz SQYHEORWLTWEFU-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001425058209 908565937 /nfs/dbraw/zinc/56/59/37/908565937.db2.gz SQYHEORWLTWEFU-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001425058209 908565954 /nfs/dbraw/zinc/56/59/54/908565954.db2.gz SQYHEORWLTWEFU-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CC(N)=O ZINC001425084805 908567086 /nfs/dbraw/zinc/56/70/86/908567086.db2.gz LZGMQMWFNBIOFB-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@@H+](C)CC(N)=O ZINC001425084805 908567096 /nfs/dbraw/zinc/56/70/96/908567096.db2.gz LZGMQMWFNBIOFB-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCO)C1 ZINC001425353908 908628918 /nfs/dbraw/zinc/62/89/18/908628918.db2.gz DQUXYZWKMYVOGY-OLZOCXBDSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001425663024 908685968 /nfs/dbraw/zinc/68/59/68/908685968.db2.gz PQONOSBZOGEFIP-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001425681644 908689226 /nfs/dbraw/zinc/68/92/26/908689226.db2.gz NEPSVPJIPCKYAQ-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001425681585 908689954 /nfs/dbraw/zinc/68/99/54/908689954.db2.gz NEPSVPJIPCKYAQ-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCO)C1 ZINC001425704048 908696916 /nfs/dbraw/zinc/69/69/16/908696916.db2.gz XMSNWHPYFWMNEC-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCO)C1 ZINC001425704048 908696918 /nfs/dbraw/zinc/69/69/18/908696918.db2.gz XMSNWHPYFWMNEC-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1CC(C[NH2+]CC(=O)NC)C1 ZINC001505528786 921434991 /nfs/dbraw/zinc/43/49/91/921434991.db2.gz QSSYBZOROAHIBM-UHFFFAOYSA-N 2 1 284.404 -0.441 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001425883436 908775725 /nfs/dbraw/zinc/77/57/25/908775725.db2.gz DQEFVMUHIMRXFH-QWHCGFSZSA-N 2 1 298.431 -0.006 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001425928080 908782130 /nfs/dbraw/zinc/78/21/30/908782130.db2.gz YNHWOYAWDDOOBH-CMPLNLGQSA-N 2 1 293.371 -0.483 20 0 CBADMP CC(C)[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001426059572 908813577 /nfs/dbraw/zinc/81/35/77/908813577.db2.gz PGZUTVSLCZQYAH-CHWSQXEVSA-N 2 1 287.404 -0.524 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001426059572 908813595 /nfs/dbraw/zinc/81/35/95/908813595.db2.gz PGZUTVSLCZQYAH-CHWSQXEVSA-N 2 1 287.404 -0.524 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001426059572 908813605 /nfs/dbraw/zinc/81/36/05/908813605.db2.gz PGZUTVSLCZQYAH-CHWSQXEVSA-N 2 1 287.404 -0.524 20 0 CBADMP CC(C)[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001426059572 908813615 /nfs/dbraw/zinc/81/36/15/908813615.db2.gz PGZUTVSLCZQYAH-CHWSQXEVSA-N 2 1 287.404 -0.524 20 0 CBADMP CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001426234726 908848791 /nfs/dbraw/zinc/84/87/91/908848791.db2.gz NQZRTSCAPKXUHW-WXRRBKDZSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H](O)C[NH2+]C1CC(N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001426232783 908853114 /nfs/dbraw/zinc/85/31/14/908853114.db2.gz OZEGPPPLOYZMPA-IYXRBSQSSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001505760782 921476435 /nfs/dbraw/zinc/47/64/35/921476435.db2.gz OYYXZGQIYKXXAR-NEPJUHHUSA-N 2 1 286.420 -0.102 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001505760783 921478850 /nfs/dbraw/zinc/47/88/50/921478850.db2.gz OYYXZGQIYKXXAR-NWDGAFQWSA-N 2 1 286.420 -0.102 20 0 CBADMP CC[C@H](C(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001429382194 909236952 /nfs/dbraw/zinc/23/69/52/909236952.db2.gz GHMZWRRSHDORQN-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001505845122 921484012 /nfs/dbraw/zinc/48/40/12/921484012.db2.gz ABMUMAFPRYINOU-LBPRGKRZSA-N 2 1 298.431 -0.112 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001430206813 909313359 /nfs/dbraw/zinc/31/33/59/909313359.db2.gz DYCTXHDTWUUKTH-GFCCVEGCSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001505865282 921489214 /nfs/dbraw/zinc/48/92/14/921489214.db2.gz PFFJFPVCMJYKKS-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001433382960 909723059 /nfs/dbraw/zinc/72/30/59/909723059.db2.gz DTWIDCRVOCELCK-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001433382960 909723070 /nfs/dbraw/zinc/72/30/70/909723070.db2.gz DTWIDCRVOCELCK-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001433382960 909723079 /nfs/dbraw/zinc/72/30/79/909723079.db2.gz DTWIDCRVOCELCK-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC001505992214 921521308 /nfs/dbraw/zinc/52/13/08/921521308.db2.gz AXTGTWRDUNJMDO-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001434383600 910141647 /nfs/dbraw/zinc/14/16/47/910141647.db2.gz HIXVTMSLGSNQGQ-DOMZBBRYSA-N 2 1 297.399 -0.578 20 0 CBADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001434383603 910142680 /nfs/dbraw/zinc/14/26/80/910142680.db2.gz HIXVTMSLGSNQGQ-WFASDCNBSA-N 2 1 297.399 -0.578 20 0 CBADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)C[N@H+]1CCO ZINC001434475259 910216012 /nfs/dbraw/zinc/21/60/12/910216012.db2.gz GXBKFPVFOCBIIQ-VNHYZAJKSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)[C@@H](C)C[NH+]1CCO ZINC001434475259 910216021 /nfs/dbraw/zinc/21/60/21/910216021.db2.gz GXBKFPVFOCBIIQ-VNHYZAJKSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)[C@@H](C)C[NH+]1CCO ZINC001434475259 910216040 /nfs/dbraw/zinc/21/60/40/910216040.db2.gz GXBKFPVFOCBIIQ-VNHYZAJKSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC001434475257 910217203 /nfs/dbraw/zinc/21/72/03/910217203.db2.gz GXBKFPVFOCBIIQ-NFAWXSAZSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC001434475257 910217224 /nfs/dbraw/zinc/21/72/24/910217224.db2.gz GXBKFPVFOCBIIQ-NFAWXSAZSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001434475257 910217232 /nfs/dbraw/zinc/21/72/32/910217232.db2.gz GXBKFPVFOCBIIQ-NFAWXSAZSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@@H](O)[C@H](O)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001434487028 910227368 /nfs/dbraw/zinc/22/73/68/910227368.db2.gz GZEJVLNQZZQOIO-BXUZGUMPSA-N 2 1 272.389 -0.039 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001436400940 910436140 /nfs/dbraw/zinc/43/61/40/910436140.db2.gz DBBLJZPRCPTCLX-IJLUTSLNSA-N 2 1 284.404 -0.315 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1 ZINC001436457148 910446782 /nfs/dbraw/zinc/44/67/82/910446782.db2.gz FFZFWZRQHPGSSL-OLZOCXBDSA-N 2 1 296.415 -0.406 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001436457148 910446795 /nfs/dbraw/zinc/44/67/95/910446795.db2.gz FFZFWZRQHPGSSL-OLZOCXBDSA-N 2 1 296.415 -0.406 20 0 CBADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001436457148 910446807 /nfs/dbraw/zinc/44/68/07/910446807.db2.gz FFZFWZRQHPGSSL-OLZOCXBDSA-N 2 1 296.415 -0.406 20 0 CBADMP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001436485627 910452951 /nfs/dbraw/zinc/45/29/51/910452951.db2.gz YTWKISNMFCYULA-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001436485627 910452964 /nfs/dbraw/zinc/45/29/64/910452964.db2.gz YTWKISNMFCYULA-MJBXVCDLSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001436836258 910494269 /nfs/dbraw/zinc/49/42/69/910494269.db2.gz AGXMYOVRWQHNFW-LBPRGKRZSA-N 2 1 284.404 -0.406 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001436922696 910508721 /nfs/dbraw/zinc/50/87/21/910508721.db2.gz CQUWPGVKDIZOHG-SRVKXCTJSA-N 2 1 284.404 -0.301 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001436979735 910523178 /nfs/dbraw/zinc/52/31/78/910523178.db2.gz UJKGBGUHSVIXBM-FRRDWIJNSA-N 2 1 296.415 -0.158 20 0 CBADMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ncnn1C ZINC001437237891 910595279 /nfs/dbraw/zinc/59/52/79/910595279.db2.gz PKYATQFAKSYUAN-LLVKDONJSA-N 2 1 292.387 -0.495 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001437260145 910603680 /nfs/dbraw/zinc/60/36/80/910603680.db2.gz KZACXTCWOHYQJT-ZJUUUORDSA-N 2 1 281.360 -0.580 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001437289450 910607288 /nfs/dbraw/zinc/60/72/88/910607288.db2.gz IGTHMYHXDPVPAM-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[NH+](C)C1(C(=O)NCC[N@@H+](C)[C@@H]2CCCNC2=O)CCC1 ZINC001437473907 910654175 /nfs/dbraw/zinc/65/41/75/910654175.db2.gz ZBSIKUAPLQZUJT-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)C1(C(=O)NCC[N@H+](C)[C@@H]2CCCNC2=O)CCC1 ZINC001437473907 910654180 /nfs/dbraw/zinc/65/41/80/910654180.db2.gz ZBSIKUAPLQZUJT-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC001437515812 910670332 /nfs/dbraw/zinc/67/03/32/910670332.db2.gz MOWCZLKXKJCQQR-GFCCVEGCSA-N 2 1 294.403 -0.235 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001437516158 910671193 /nfs/dbraw/zinc/67/11/93/910671193.db2.gz GOGZDEGTTLNDTP-NEPJUHHUSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001437516158 910671204 /nfs/dbraw/zinc/67/12/04/910671204.db2.gz GOGZDEGTTLNDTP-NEPJUHHUSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@@H](C)C(=O)NC ZINC001437537994 910675132 /nfs/dbraw/zinc/67/51/32/910675132.db2.gz ONACTDOASDVIHJ-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@@H](C)C(=O)NC ZINC001437537994 910675143 /nfs/dbraw/zinc/67/51/43/910675143.db2.gz ONACTDOASDVIHJ-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC ZINC001437537994 910675153 /nfs/dbraw/zinc/67/51/53/910675153.db2.gz ONACTDOASDVIHJ-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC ZINC001437537994 910675161 /nfs/dbraw/zinc/67/51/61/910675161.db2.gz ONACTDOASDVIHJ-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@H](C)C(=O)NC ZINC001437537992 910675621 /nfs/dbraw/zinc/67/56/21/910675621.db2.gz ONACTDOASDVIHJ-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@H](C)C(=O)NC ZINC001437537992 910675629 /nfs/dbraw/zinc/67/56/29/910675629.db2.gz ONACTDOASDVIHJ-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC ZINC001437537992 910675642 /nfs/dbraw/zinc/67/56/42/910675642.db2.gz ONACTDOASDVIHJ-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC ZINC001437537992 910675659 /nfs/dbraw/zinc/67/56/59/910675659.db2.gz ONACTDOASDVIHJ-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+](CCO)C1 ZINC001506628100 921597766 /nfs/dbraw/zinc/59/77/66/921597766.db2.gz UDYCJBZUNXBOBK-LLVKDONJSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@@H](C)O ZINC001437592991 910693583 /nfs/dbraw/zinc/69/35/83/910693583.db2.gz UOXXSCXUFDTTCS-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@@H](C)O ZINC001437592991 910693592 /nfs/dbraw/zinc/69/35/92/910693592.db2.gz UOXXSCXUFDTTCS-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C[C@@H](C)O ZINC001437592991 910693604 /nfs/dbraw/zinc/69/36/04/910693604.db2.gz UOXXSCXUFDTTCS-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C[C@@H](C)O ZINC001437592991 910693613 /nfs/dbraw/zinc/69/36/13/910693613.db2.gz UOXXSCXUFDTTCS-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC001437618405 910698993 /nfs/dbraw/zinc/69/89/93/910698993.db2.gz RNUJBWXUNSFJTQ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC001437618405 910699005 /nfs/dbraw/zinc/69/90/05/910699005.db2.gz RNUJBWXUNSFJTQ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)N(C)C ZINC001437618405 910699020 /nfs/dbraw/zinc/69/90/20/910699020.db2.gz RNUJBWXUNSFJTQ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)N(C)C ZINC001437618405 910699030 /nfs/dbraw/zinc/69/90/30/910699030.db2.gz RNUJBWXUNSFJTQ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)CC(N)=O ZINC001437650785 910709079 /nfs/dbraw/zinc/70/90/79/910709079.db2.gz OAZGXPNQXAPPPT-UHFFFAOYSA-N 2 1 284.404 -0.214 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)CC(N)=O ZINC001437650785 910709097 /nfs/dbraw/zinc/70/90/97/910709097.db2.gz OAZGXPNQXAPPPT-UHFFFAOYSA-N 2 1 284.404 -0.214 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001437660066 910714337 /nfs/dbraw/zinc/71/43/37/910714337.db2.gz NLVQRWJXNAJVLU-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001437660066 910714349 /nfs/dbraw/zinc/71/43/49/910714349.db2.gz NLVQRWJXNAJVLU-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC(=O)N(C)C ZINC001437688825 910722020 /nfs/dbraw/zinc/72/20/20/910722020.db2.gz TWDOMPVVBCZDBB-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC(=O)N(C)C ZINC001437688825 910722036 /nfs/dbraw/zinc/72/20/36/910722036.db2.gz TWDOMPVVBCZDBB-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC001437688825 910722044 /nfs/dbraw/zinc/72/20/44/910722044.db2.gz TWDOMPVVBCZDBB-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1CC(=O)N(C)C ZINC001437688825 910722057 /nfs/dbraw/zinc/72/20/57/910722057.db2.gz TWDOMPVVBCZDBB-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)C1 ZINC001437687346 910723914 /nfs/dbraw/zinc/72/39/14/910723914.db2.gz PHKSCPVMMQNCMU-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)C1 ZINC001437687346 910723923 /nfs/dbraw/zinc/72/39/23/910723923.db2.gz PHKSCPVMMQNCMU-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001437687346 910723935 /nfs/dbraw/zinc/72/39/35/910723935.db2.gz PHKSCPVMMQNCMU-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001437687346 910723942 /nfs/dbraw/zinc/72/39/42/910723942.db2.gz PHKSCPVMMQNCMU-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001437697827 910726939 /nfs/dbraw/zinc/72/69/39/910726939.db2.gz IBPHIGKNTKDHLR-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001437697827 910726951 /nfs/dbraw/zinc/72/69/51/910726951.db2.gz IBPHIGKNTKDHLR-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001437697827 910726960 /nfs/dbraw/zinc/72/69/60/910726960.db2.gz IBPHIGKNTKDHLR-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001437697827 910726968 /nfs/dbraw/zinc/72/69/68/910726968.db2.gz IBPHIGKNTKDHLR-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](O)C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001437778735 910744047 /nfs/dbraw/zinc/74/40/47/910744047.db2.gz BEUHNNFWMZTXOR-YPMHNXCESA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H](O)C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001437778735 910744058 /nfs/dbraw/zinc/74/40/58/910744058.db2.gz BEUHNNFWMZTXOR-YPMHNXCESA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H](O)C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001437778735 910744072 /nfs/dbraw/zinc/74/40/72/910744072.db2.gz BEUHNNFWMZTXOR-YPMHNXCESA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H](O)C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001437778735 910744097 /nfs/dbraw/zinc/74/40/97/910744097.db2.gz BEUHNNFWMZTXOR-YPMHNXCESA-N 2 1 285.388 -0.722 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001506746805 921608966 /nfs/dbraw/zinc/60/89/66/921608966.db2.gz BLCJUUBBXIEDSD-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001506746805 921608972 /nfs/dbraw/zinc/60/89/72/921608972.db2.gz BLCJUUBBXIEDSD-NSHDSACASA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC001437841996 910765500 /nfs/dbraw/zinc/76/55/00/910765500.db2.gz ICEUQSLMUPWIOO-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001437983766 910785127 /nfs/dbraw/zinc/78/51/27/910785127.db2.gz ANTJUYSGVRBHKA-GFCCVEGCSA-N 2 1 284.404 -0.406 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001437991396 910793323 /nfs/dbraw/zinc/79/33/23/910793323.db2.gz MCDSFUTYAIZWPU-QWHCGFSZSA-N 2 1 298.431 -0.018 20 0 CBADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001438109370 910820070 /nfs/dbraw/zinc/82/00/70/910820070.db2.gz DOLXYDROGISXKB-STQMWFEESA-N 2 1 285.388 -0.864 20 0 CBADMP C[NH+](C)CCCC(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001438133442 910827595 /nfs/dbraw/zinc/82/75/95/910827595.db2.gz JXZOMNBFWJGKSY-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001438214639 910840912 /nfs/dbraw/zinc/84/09/12/910840912.db2.gz AAJHKJZVKCYBKU-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001438214639 910840921 /nfs/dbraw/zinc/84/09/21/910840921.db2.gz AAJHKJZVKCYBKU-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001438214639 910840929 /nfs/dbraw/zinc/84/09/29/910840929.db2.gz AAJHKJZVKCYBKU-JHJVBQTASA-N 2 1 285.388 -0.864 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001438188839 910842208 /nfs/dbraw/zinc/84/22/08/910842208.db2.gz NQAMYNYGPAZMKJ-NWDGAFQWSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001438188839 910842223 /nfs/dbraw/zinc/84/22/23/910842223.db2.gz NQAMYNYGPAZMKJ-NWDGAFQWSA-N 2 1 294.399 -0.593 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001438211287 910842456 /nfs/dbraw/zinc/84/24/56/910842456.db2.gz FGFMNIYEBFUUFQ-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001438211287 910842471 /nfs/dbraw/zinc/84/24/71/910842471.db2.gz FGFMNIYEBFUUFQ-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001438267338 910856748 /nfs/dbraw/zinc/85/67/48/910856748.db2.gz OJKUCTGMJKPFNP-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001438267338 910856766 /nfs/dbraw/zinc/85/67/66/910856766.db2.gz OJKUCTGMJKPFNP-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001438292649 910869602 /nfs/dbraw/zinc/86/96/02/910869602.db2.gz YRJCIFSLOKJYSF-YPMHNXCESA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001438292649 910869614 /nfs/dbraw/zinc/86/96/14/910869614.db2.gz YRJCIFSLOKJYSF-YPMHNXCESA-N 2 1 294.403 -0.106 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001438381256 910886897 /nfs/dbraw/zinc/88/68/97/910886897.db2.gz WPHQUYFRSNXGCL-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1 ZINC001438608070 910926582 /nfs/dbraw/zinc/92/65/82/910926582.db2.gz RKANYRRDDUXXQK-LBPRGKRZSA-N 2 1 296.415 -0.168 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC(C)C)C1 ZINC001439059514 911080545 /nfs/dbraw/zinc/08/05/45/911080545.db2.gz QIRMFFCIZYHCDK-OLZOCXBDSA-N 2 1 287.404 -0.570 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC(C)C)C1 ZINC001439059514 911080560 /nfs/dbraw/zinc/08/05/60/911080560.db2.gz QIRMFFCIZYHCDK-OLZOCXBDSA-N 2 1 287.404 -0.570 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]Cc1nccs1 ZINC001439061661 911084002 /nfs/dbraw/zinc/08/40/02/911084002.db2.gz SBNXZIGFFUEGLI-LLVKDONJSA-N 2 1 298.412 -0.194 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001439108536 911105409 /nfs/dbraw/zinc/10/54/09/911105409.db2.gz IRKSOAOSLHVTHF-NQBHXWOUSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001439108536 911105417 /nfs/dbraw/zinc/10/54/17/911105417.db2.gz IRKSOAOSLHVTHF-NQBHXWOUSA-N 2 1 294.403 -0.250 20 0 CBADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)CC2 ZINC001439146152 911120825 /nfs/dbraw/zinc/12/08/25/911120825.db2.gz ZVXIFWOLFVLZQN-MWLCHTKSSA-N 2 1 293.371 -0.666 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439176818 911130075 /nfs/dbraw/zinc/13/00/75/911130075.db2.gz CVZANOHFJFVYDT-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)C1([NH+](C)C)CCC1 ZINC001439214704 911145522 /nfs/dbraw/zinc/14/55/22/911145522.db2.gz OWMNBVRLRQWWIS-NSHDSACASA-N 2 1 294.403 -0.106 20 0 CBADMP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001439251303 911154026 /nfs/dbraw/zinc/15/40/26/911154026.db2.gz DZHRAOPEOOCYBV-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001439282889 911165470 /nfs/dbraw/zinc/16/54/70/911165470.db2.gz OQSRDXJIQHAMJN-JTQLQIEISA-N 2 1 293.371 -0.436 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001506901724 921639942 /nfs/dbraw/zinc/63/99/42/921639942.db2.gz GZFQRIUPRJPLLK-JHJVBQTASA-N 2 1 296.415 -0.441 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439370075 911191248 /nfs/dbraw/zinc/19/12/48/911191248.db2.gz OBSBLZRXRPOITQ-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439370075 911191259 /nfs/dbraw/zinc/19/12/59/911191259.db2.gz OBSBLZRXRPOITQ-VXGBXAGGSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001439370295 911193360 /nfs/dbraw/zinc/19/33/60/911193360.db2.gz OJUZZSZHTUUXLY-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001439370295 911193367 /nfs/dbraw/zinc/19/33/67/911193367.db2.gz OJUZZSZHTUUXLY-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001439492465 911222044 /nfs/dbraw/zinc/22/20/44/911222044.db2.gz DFZQLKZDZKNZEM-ZDUSSCGKSA-N 2 1 298.431 -0.101 20 0 CBADMP COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001439529053 911230824 /nfs/dbraw/zinc/23/08/24/911230824.db2.gz PPKZJOIMDVMVET-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001439529053 911230837 /nfs/dbraw/zinc/23/08/37/911230837.db2.gz PPKZJOIMDVMVET-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001439529053 911230850 /nfs/dbraw/zinc/23/08/50/911230850.db2.gz PPKZJOIMDVMVET-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001439529053 911230865 /nfs/dbraw/zinc/23/08/65/911230865.db2.gz PPKZJOIMDVMVET-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001439853150 911300582 /nfs/dbraw/zinc/30/05/82/911300582.db2.gz GHQUPZUZYIYOCZ-HNNXBMFYSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001439853150 911300605 /nfs/dbraw/zinc/30/06/05/911300605.db2.gz GHQUPZUZYIYOCZ-HNNXBMFYSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001439853150 911300627 /nfs/dbraw/zinc/30/06/27/911300627.db2.gz GHQUPZUZYIYOCZ-HNNXBMFYSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001439853150 911300653 /nfs/dbraw/zinc/30/06/53/911300653.db2.gz GHQUPZUZYIYOCZ-HNNXBMFYSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001439872613 911304859 /nfs/dbraw/zinc/30/48/59/911304859.db2.gz MZTRUICWHDOPTQ-IUODEOHRSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001439872613 911304875 /nfs/dbraw/zinc/30/48/75/911304875.db2.gz MZTRUICWHDOPTQ-IUODEOHRSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001439872613 911304894 /nfs/dbraw/zinc/30/48/94/911304894.db2.gz MZTRUICWHDOPTQ-IUODEOHRSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001439872613 911304915 /nfs/dbraw/zinc/30/49/15/911304915.db2.gz MZTRUICWHDOPTQ-IUODEOHRSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](CC(N)=O)C1 ZINC001439937043 911309914 /nfs/dbraw/zinc/30/99/14/911309914.db2.gz RLEBLWMNJOYIRC-DOMZBBRYSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](CC(N)=O)C1 ZINC001439937043 911309931 /nfs/dbraw/zinc/30/99/31/911309931.db2.gz RLEBLWMNJOYIRC-DOMZBBRYSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC(N)=O)C1 ZINC001439937043 911309950 /nfs/dbraw/zinc/30/99/50/911309950.db2.gz RLEBLWMNJOYIRC-DOMZBBRYSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC(N)=O)C1 ZINC001439937043 911309971 /nfs/dbraw/zinc/30/99/71/911309971.db2.gz RLEBLWMNJOYIRC-DOMZBBRYSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC)C1 ZINC001439900904 911310613 /nfs/dbraw/zinc/31/06/13/911310613.db2.gz ISGKMULVKDAVNQ-OAHLLOKOSA-N 2 1 298.431 -0.098 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CC(N)=O)C1 ZINC001439937051 911311536 /nfs/dbraw/zinc/31/15/36/911311536.db2.gz RLEBLWMNJOYIRC-WFASDCNBSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CC(N)=O)C1 ZINC001439937051 911311555 /nfs/dbraw/zinc/31/15/55/911311555.db2.gz RLEBLWMNJOYIRC-WFASDCNBSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC(N)=O)C1 ZINC001439937051 911311574 /nfs/dbraw/zinc/31/15/74/911311574.db2.gz RLEBLWMNJOYIRC-WFASDCNBSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC(N)=O)C1 ZINC001439937051 911311593 /nfs/dbraw/zinc/31/15/93/911311593.db2.gz RLEBLWMNJOYIRC-WFASDCNBSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC(N)=O)C1 ZINC001439937045 911312574 /nfs/dbraw/zinc/31/25/74/911312574.db2.gz RLEBLWMNJOYIRC-IUODEOHRSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC(N)=O)C1 ZINC001439937045 911312595 /nfs/dbraw/zinc/31/25/95/911312595.db2.gz RLEBLWMNJOYIRC-IUODEOHRSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CC(N)=O)C1 ZINC001439937045 911312614 /nfs/dbraw/zinc/31/26/14/911312614.db2.gz RLEBLWMNJOYIRC-IUODEOHRSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CC(N)=O)C1 ZINC001439937045 911312634 /nfs/dbraw/zinc/31/26/34/911312634.db2.gz RLEBLWMNJOYIRC-IUODEOHRSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001440008908 911340014 /nfs/dbraw/zinc/34/00/14/911340014.db2.gz CFCAURXFSXQVFW-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001440008908 911340035 /nfs/dbraw/zinc/34/00/35/911340035.db2.gz CFCAURXFSXQVFW-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001440008908 911340055 /nfs/dbraw/zinc/34/00/55/911340055.db2.gz CFCAURXFSXQVFW-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001440148351 911389972 /nfs/dbraw/zinc/38/99/72/911389972.db2.gz KHSQFPKFMRNTSB-UPJWGTAASA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCC[NH+](CCO)C2)CC[N@H+]1C ZINC001440168269 911396090 /nfs/dbraw/zinc/39/60/90/911396090.db2.gz ACXVOMWUYZZDGW-UMVBOHGHSA-N 2 1 299.415 -0.738 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCC[N@H+](CCO)C2)CC[NH+]1C ZINC001440168269 911396107 /nfs/dbraw/zinc/39/61/07/911396107.db2.gz ACXVOMWUYZZDGW-UMVBOHGHSA-N 2 1 299.415 -0.738 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)CC[NH+]1C ZINC001440168269 911396125 /nfs/dbraw/zinc/39/61/25/911396125.db2.gz ACXVOMWUYZZDGW-UMVBOHGHSA-N 2 1 299.415 -0.738 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1 ZINC001440221268 911412680 /nfs/dbraw/zinc/41/26/80/911412680.db2.gz IUTCGHLFUMOHTO-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001440359170 911436328 /nfs/dbraw/zinc/43/63/28/911436328.db2.gz SFBIFYOTBUJSOE-ZDEQEGDKSA-N 2 1 296.415 -0.301 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001440606417 911480685 /nfs/dbraw/zinc/48/06/85/911480685.db2.gz LWSWVUVZTLJACT-PWSUYJOCSA-N 2 1 293.371 -0.626 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC(N)=O ZINC001440925048 911558056 /nfs/dbraw/zinc/55/80/56/911558056.db2.gz GEELRCOUSRKEFC-HBNTYKKESA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CC(N)=O ZINC001440925048 911558068 /nfs/dbraw/zinc/55/80/68/911558068.db2.gz GEELRCOUSRKEFC-HBNTYKKESA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CC(N)=O ZINC001440925048 911558079 /nfs/dbraw/zinc/55/80/79/911558079.db2.gz GEELRCOUSRKEFC-HBNTYKKESA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CC(N)=O ZINC001440925048 911558090 /nfs/dbraw/zinc/55/80/90/911558090.db2.gz GEELRCOUSRKEFC-HBNTYKKESA-N 2 1 270.377 -0.752 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001441001813 911580429 /nfs/dbraw/zinc/58/04/29/911580429.db2.gz CPQMGJUMTNYMCO-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001441001813 911580451 /nfs/dbraw/zinc/58/04/51/911580451.db2.gz CPQMGJUMTNYMCO-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP C[N@@H+](CC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1)CC(C)(C)C ZINC001441218630 911624918 /nfs/dbraw/zinc/62/49/18/911624918.db2.gz AGWGQSRXWHHIRP-LBPRGKRZSA-N 2 1 298.431 -0.066 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001441252018 911629041 /nfs/dbraw/zinc/62/90/41/911629041.db2.gz KEAFDDZKQYZXAV-NEPJUHHUSA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001441252018 911629050 /nfs/dbraw/zinc/62/90/50/911629050.db2.gz KEAFDDZKQYZXAV-NEPJUHHUSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001441383403 911655927 /nfs/dbraw/zinc/65/59/27/911655927.db2.gz ZLNQVVHXYLPRFJ-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001441380960 911656090 /nfs/dbraw/zinc/65/60/90/911656090.db2.gz AQHPDSQLPHIACG-NQBHXWOUSA-N 2 1 296.415 -0.029 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001441398530 911661099 /nfs/dbraw/zinc/66/10/99/911661099.db2.gz NBGZWIOLINDHFG-ZDEQEGDKSA-N 2 1 296.415 -0.158 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001441391208 911662775 /nfs/dbraw/zinc/66/27/75/911662775.db2.gz ZHSNSAIPXUCPPI-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001441453672 911672621 /nfs/dbraw/zinc/67/26/21/911672621.db2.gz DKLIOBWOADPCSV-YFKTTZPYSA-N 2 1 282.388 -0.548 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001441657986 911723953 /nfs/dbraw/zinc/72/39/53/911723953.db2.gz MHPZMCRWHUBXST-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnn(C)n1 ZINC001441657986 911723965 /nfs/dbraw/zinc/72/39/65/911723965.db2.gz MHPZMCRWHUBXST-NWDGAFQWSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N(C)C ZINC001441657984 911726575 /nfs/dbraw/zinc/72/65/75/911726575.db2.gz YOWBYRQADMFNJC-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCCO)C1 ZINC001507158399 921691304 /nfs/dbraw/zinc/69/13/04/921691304.db2.gz ANFODUGBBNORHU-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCCO)C1 ZINC001507158399 921691311 /nfs/dbraw/zinc/69/13/11/921691311.db2.gz ANFODUGBBNORHU-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001507161555 921691854 /nfs/dbraw/zinc/69/18/54/921691854.db2.gz LZPDXGCJJPMDQF-VXGBXAGGSA-N 2 1 286.420 -0.102 20 0 CBADMP CCn1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001441785346 911803865 /nfs/dbraw/zinc/80/38/65/911803865.db2.gz JNBLHROJXKHEMG-YPMHNXCESA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001441785346 911803872 /nfs/dbraw/zinc/80/38/72/911803872.db2.gz JNBLHROJXKHEMG-YPMHNXCESA-N 2 1 294.403 -0.014 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001441940435 911858877 /nfs/dbraw/zinc/85/88/77/911858877.db2.gz KHOWSYINFHIPMR-DCAQKATOSA-N 2 1 270.377 -0.704 20 0 CBADMP C[C@H](O)C[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001441980789 911882344 /nfs/dbraw/zinc/88/23/44/911882344.db2.gz AOFFADWHROMHQG-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001442248090 911957291 /nfs/dbraw/zinc/95/72/91/911957291.db2.gz MBMWIMVOWTWBLU-PNESKVBLSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001442263292 911959863 /nfs/dbraw/zinc/95/98/63/911959863.db2.gz YOBLXPVNBJYSMV-GMTAPVOTSA-N 2 1 270.377 -0.704 20 0 CBADMP C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001442350232 911980555 /nfs/dbraw/zinc/98/05/55/911980555.db2.gz JPCNKFPGOYJUBY-WCQYABFASA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001442350223 911981954 /nfs/dbraw/zinc/98/19/54/911981954.db2.gz JPCNKFPGOYJUBY-DGCLKSJQSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001442599845 912058966 /nfs/dbraw/zinc/05/89/66/912058966.db2.gz BMTXKWCSOIHRGK-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001442599845 912058979 /nfs/dbraw/zinc/05/89/79/912058979.db2.gz BMTXKWCSOIHRGK-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001442908760 912124882 /nfs/dbraw/zinc/12/48/82/912124882.db2.gz RPDCDZZKHHVMLD-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001442908760 912124896 /nfs/dbraw/zinc/12/48/96/912124896.db2.gz RPDCDZZKHHVMLD-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001442908760 912124908 /nfs/dbraw/zinc/12/49/08/912124908.db2.gz RPDCDZZKHHVMLD-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)c1nnnn1C ZINC001443093734 912156434 /nfs/dbraw/zinc/15/64/34/912156434.db2.gz BDRCDZHLTRTLFS-QWRGUYRKSA-N 2 1 295.391 -0.587 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)c1nnnn1C ZINC001443093734 912156441 /nfs/dbraw/zinc/15/64/41/912156441.db2.gz BDRCDZHLTRTLFS-QWRGUYRKSA-N 2 1 295.391 -0.587 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001443099716 912158825 /nfs/dbraw/zinc/15/88/25/912158825.db2.gz JDXDIGOVKFOJTA-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]CCCF ZINC001507219627 921752202 /nfs/dbraw/zinc/75/22/02/921752202.db2.gz QHLDUYACTOGANE-NSHDSACASA-N 2 1 272.324 -0.382 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]CC2CC2)C1 ZINC001507251353 921785263 /nfs/dbraw/zinc/78/52/63/921785263.db2.gz CLSAJVOTCGBFRH-QWHCGFSZSA-N 2 1 269.389 -0.195 20 0 CBADMP C[NH+](C)CCn1nccc1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001472157214 915701662 /nfs/dbraw/zinc/70/16/62/915701662.db2.gz LZNPAKVCKSFQSM-UHFFFAOYSA-N 2 1 293.371 -0.743 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCOC2CCC2)C1 ZINC001507261414 921793445 /nfs/dbraw/zinc/79/34/45/921793445.db2.gz SBTMXZSQOLVZTG-STQMWFEESA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCC2CC2)C1 ZINC001507265351 921797371 /nfs/dbraw/zinc/79/73/71/921797371.db2.gz OZHVPHJVUGKOMG-KGLIPLIRSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCC2CC2)C1 ZINC001507265351 921797380 /nfs/dbraw/zinc/79/73/80/921797380.db2.gz OZHVPHJVUGKOMG-KGLIPLIRSA-N 2 1 299.415 -0.426 20 0 CBADMP CC(C)[C@](C)([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(N)=O ZINC001473458563 915813204 /nfs/dbraw/zinc/81/32/04/915813204.db2.gz ACQJNDAPHCUBQP-AWEZNQCLSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CO)[C@H]2CO)CC1 ZINC001473684131 915852368 /nfs/dbraw/zinc/85/23/68/915852368.db2.gz GFKPWEABBWWIPV-GXTWGEPZSA-N 2 1 299.415 -0.738 20 0 CBADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC001477868211 916020810 /nfs/dbraw/zinc/02/08/10/916020810.db2.gz HAVBGRCJYHQUOY-KGLIPLIRSA-N 2 1 297.447 -0.032 20 0 CBADMP CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001479652811 916146077 /nfs/dbraw/zinc/14/60/77/916146077.db2.gz XGBQFRBVAACPTG-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001479652811 916146090 /nfs/dbraw/zinc/14/60/90/916146090.db2.gz XGBQFRBVAACPTG-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001479652811 916146106 /nfs/dbraw/zinc/14/61/06/916146106.db2.gz XGBQFRBVAACPTG-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001479652811 916146114 /nfs/dbraw/zinc/14/61/14/916146114.db2.gz XGBQFRBVAACPTG-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP COCCC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001479763140 916162931 /nfs/dbraw/zinc/16/29/31/916162931.db2.gz HQGBPQRJYDGGMG-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP COCCC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001479763140 916162936 /nfs/dbraw/zinc/16/29/36/916162936.db2.gz HQGBPQRJYDGGMG-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP COCCC[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001479763140 916162943 /nfs/dbraw/zinc/16/29/43/916162943.db2.gz HQGBPQRJYDGGMG-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP COCCC[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001479763140 916162950 /nfs/dbraw/zinc/16/29/50/916162950.db2.gz HQGBPQRJYDGGMG-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001479762696 916165383 /nfs/dbraw/zinc/16/53/83/916165383.db2.gz UYMYKDIFGWBKGL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([NH+](C)CCCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001479762696 916165396 /nfs/dbraw/zinc/16/53/96/916165396.db2.gz UYMYKDIFGWBKGL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001479762696 916165404 /nfs/dbraw/zinc/16/54/04/916165404.db2.gz UYMYKDIFGWBKGL-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([N@@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001479812700 916183392 /nfs/dbraw/zinc/18/33/92/916183392.db2.gz RAXUMERDAWGNOO-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001479812700 916183407 /nfs/dbraw/zinc/18/34/07/916183407.db2.gz RAXUMERDAWGNOO-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN1CC[C@@H]([NH+](C)CCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001479812700 916183418 /nfs/dbraw/zinc/18/34/18/916183418.db2.gz RAXUMERDAWGNOO-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@H](C(=O)NCCC[N@@H+](C)[C@@H](C)C(=O)NC)[NH+](C)C ZINC001479808121 916184768 /nfs/dbraw/zinc/18/47/68/916184768.db2.gz QDSUSRUDRVUPRL-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCO)C1 ZINC001479911934 916208400 /nfs/dbraw/zinc/20/84/00/916208400.db2.gz VCQSNIBTYBIWBD-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001479911934 916208418 /nfs/dbraw/zinc/20/84/18/916208418.db2.gz VCQSNIBTYBIWBD-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001479911934 916208436 /nfs/dbraw/zinc/20/84/36/916208436.db2.gz VCQSNIBTYBIWBD-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001479967701 916247481 /nfs/dbraw/zinc/24/74/81/916247481.db2.gz GKLUOQDWZXJLIJ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001479967701 916247501 /nfs/dbraw/zinc/24/75/01/916247501.db2.gz GKLUOQDWZXJLIJ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001479967701 916247522 /nfs/dbraw/zinc/24/75/22/916247522.db2.gz GKLUOQDWZXJLIJ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001479967701 916247541 /nfs/dbraw/zinc/24/75/41/916247541.db2.gz GKLUOQDWZXJLIJ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001480029012 916266263 /nfs/dbraw/zinc/26/62/63/916266263.db2.gz ZEHCIJVUKNPVGT-CYBMUJFWSA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001480085701 916282580 /nfs/dbraw/zinc/28/25/80/916282580.db2.gz SPDBJJCCVPMACH-ZDUSSCGKSA-N 2 1 298.431 -0.016 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001480164958 916313843 /nfs/dbraw/zinc/31/38/43/916313843.db2.gz YNKXGQUDWYDPIZ-JOCQHMNTSA-N 2 1 294.403 -0.143 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCCO)C2)C1 ZINC001480167513 916318625 /nfs/dbraw/zinc/31/86/25/916318625.db2.gz MOAFAYQPRSIKON-AVGNSLFASA-N 2 1 269.389 -0.053 20 0 CBADMP CCOCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001480437385 916402685 /nfs/dbraw/zinc/40/26/85/916402685.db2.gz BMBUCQRSQMXCDG-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001480437385 916402694 /nfs/dbraw/zinc/40/26/94/916402694.db2.gz BMBUCQRSQMXCDG-STQMWFEESA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCCC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001480437382 916403376 /nfs/dbraw/zinc/40/33/76/916403376.db2.gz BMBUCQRSQMXCDG-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCCC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001480437382 916403391 /nfs/dbraw/zinc/40/33/91/916403391.db2.gz BMBUCQRSQMXCDG-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001480478488 916431780 /nfs/dbraw/zinc/43/17/80/916431780.db2.gz ZKGIHEAWPYXIPI-CMPLNLGQSA-N 2 1 282.388 -0.547 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001480502131 916443824 /nfs/dbraw/zinc/44/38/24/916443824.db2.gz GFDYUTWPTPCXQA-PWSUYJOCSA-N 2 1 293.371 -0.483 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001480502706 916444004 /nfs/dbraw/zinc/44/40/04/916444004.db2.gz KQCWETLHRVKWDV-SNVBAGLBSA-N 2 1 281.360 -0.578 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cnnn1C ZINC001480538381 916463026 /nfs/dbraw/zinc/46/30/26/916463026.db2.gz XRYQAYHJOCPWBI-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)[NH2+]CCO ZINC001480563719 916477000 /nfs/dbraw/zinc/47/70/00/916477000.db2.gz IAFZIEQQLZMYOG-NSHDSACASA-N 2 1 289.339 -0.033 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001480571557 916479664 /nfs/dbraw/zinc/47/96/64/916479664.db2.gz INXUFLMYFLYNLD-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H](CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)[NH2+]CCO ZINC001480580500 916484336 /nfs/dbraw/zinc/48/43/36/916484336.db2.gz QBTCNVSCEPEBGD-AAEUAGOBSA-N 2 1 255.362 -0.441 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001480598209 916486422 /nfs/dbraw/zinc/48/64/22/916486422.db2.gz ZDCMTDDCFJQVMO-LBPRGKRZSA-N 2 1 286.420 -0.055 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480741218 916527238 /nfs/dbraw/zinc/52/72/38/916527238.db2.gz MTYKMZNXMPGPGJ-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480741218 916527249 /nfs/dbraw/zinc/52/72/49/916527249.db2.gz MTYKMZNXMPGPGJ-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](CC)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001480982849 916670715 /nfs/dbraw/zinc/67/07/15/916670715.db2.gz IUWOASUJRCETOD-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CCNC1=O ZINC001481000323 916679285 /nfs/dbraw/zinc/67/92/85/916679285.db2.gz VMDPWCPXYMIQPN-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H]1CCNC1=O ZINC001481000323 916679297 /nfs/dbraw/zinc/67/92/97/916679297.db2.gz VMDPWCPXYMIQPN-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H]1CCNC1=O ZINC001481000323 916679312 /nfs/dbraw/zinc/67/93/12/916679312.db2.gz VMDPWCPXYMIQPN-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001481056606 916696349 /nfs/dbraw/zinc/69/63/49/916696349.db2.gz RSFMXHZTZIZXOD-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001481055603 916699165 /nfs/dbraw/zinc/69/91/65/916699165.db2.gz JKTYRPAZTYYWRV-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001481055603 916699179 /nfs/dbraw/zinc/69/91/79/916699179.db2.gz JKTYRPAZTYYWRV-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001481055578 916700025 /nfs/dbraw/zinc/70/00/25/916700025.db2.gz IUGNGMOCEOGSJU-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001481055579 916700398 /nfs/dbraw/zinc/70/03/98/916700398.db2.gz IUGNGMOCEOGSJU-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001481228637 916778352 /nfs/dbraw/zinc/77/83/52/916778352.db2.gz HHJZCSQUAUERHW-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP COC[C@H](C)[NH2+]CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001481292659 916810089 /nfs/dbraw/zinc/81/00/89/916810089.db2.gz RPYUCPALFCVIPI-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481314352 916814233 /nfs/dbraw/zinc/81/42/33/916814233.db2.gz FISDXOLQBBUOFL-GFCCVEGCSA-N 2 1 282.388 -0.782 20 0 CBADMP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481314243 916815861 /nfs/dbraw/zinc/81/58/61/916815861.db2.gz BWSSQLSJABGERV-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001481306400 916817250 /nfs/dbraw/zinc/81/72/50/916817250.db2.gz PEBKFZMZPVRDBF-ZDUSSCGKSA-N 2 1 296.419 -0.051 20 0 CBADMP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481314678 916817755 /nfs/dbraw/zinc/81/77/55/916817755.db2.gz JWIIVPQJYFEZNS-VXGBXAGGSA-N 2 1 282.388 -0.783 20 0 CBADMP O=C(NCC[C@@H]1CC[N@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001481455535 916837463 /nfs/dbraw/zinc/83/74/63/916837463.db2.gz AQCYMAFHLFJBFK-CYBMUJFWSA-N 2 1 281.400 -0.097 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481478915 916847167 /nfs/dbraw/zinc/84/71/67/916847167.db2.gz CCYGVJAZCREZCT-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001481478915 916847176 /nfs/dbraw/zinc/84/71/76/916847176.db2.gz CCYGVJAZCREZCT-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001481478915 916847185 /nfs/dbraw/zinc/84/71/85/916847185.db2.gz CCYGVJAZCREZCT-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001481693144 916953168 /nfs/dbraw/zinc/95/31/68/916953168.db2.gz KBFSPFVTTRATMQ-RWMBFGLXSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001481693144 916953170 /nfs/dbraw/zinc/95/31/70/916953170.db2.gz KBFSPFVTTRATMQ-RWMBFGLXSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001481703453 916959280 /nfs/dbraw/zinc/95/92/80/916959280.db2.gz KBFSPFVTTRATMQ-JHJVBQTASA-N 2 1 296.415 -0.252 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001481703453 916959288 /nfs/dbraw/zinc/95/92/88/916959288.db2.gz KBFSPFVTTRATMQ-JHJVBQTASA-N 2 1 296.415 -0.252 20 0 CBADMP CN(C(=O)COC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001481748533 916979153 /nfs/dbraw/zinc/97/91/53/916979153.db2.gz QNGCGDSVVOEFNW-CYBMUJFWSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C(C)C)[NH2+]CC(N)=O ZINC001481854956 917006792 /nfs/dbraw/zinc/00/67/92/917006792.db2.gz OCHQJMUZBYINSM-LLVKDONJSA-N 2 1 295.387 -0.024 20 0 CBADMP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481873592 917012329 /nfs/dbraw/zinc/01/23/29/917012329.db2.gz BFHQWJSQCYIVSS-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481873590 917013678 /nfs/dbraw/zinc/01/36/78/917013678.db2.gz BFHQWJSQCYIVSS-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@](C[NH2+]CCO)(NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001481945050 917023531 /nfs/dbraw/zinc/02/35/31/917023531.db2.gz SFQMEHHIEMLIOQ-HNNXBMFYSA-N 2 1 299.415 -0.425 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001482057702 917034797 /nfs/dbraw/zinc/03/47/97/917034797.db2.gz QLRRRMHMMHMWOW-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ncnn1C ZINC001482086078 917049282 /nfs/dbraw/zinc/04/92/82/917049282.db2.gz WKPTXCDITYCLDT-NEPJUHHUSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1nnn(C)n1 ZINC001482139602 917062875 /nfs/dbraw/zinc/06/28/75/917062875.db2.gz YQAARYFUZIZIDQ-JTQLQIEISA-N 2 1 283.380 -0.996 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)N(C)C ZINC001482167046 917072593 /nfs/dbraw/zinc/07/25/93/917072593.db2.gz AEBVOIKNJBGWML-NEPJUHHUSA-N 2 1 284.404 -0.632 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)NC ZINC001482173284 917077087 /nfs/dbraw/zinc/07/70/87/917077087.db2.gz IYCAPWHTIAIXBM-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCO)C1 ZINC001482367349 917140569 /nfs/dbraw/zinc/14/05/69/917140569.db2.gz JFNFXRWDQGJUEA-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCO)C1 ZINC001482367349 917140574 /nfs/dbraw/zinc/14/05/74/917140574.db2.gz JFNFXRWDQGJUEA-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CNC(=O)[C@@H](C)N(C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001482587149 917168476 /nfs/dbraw/zinc/16/84/76/917168476.db2.gz ZJTNWURCHRARFW-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001482587149 917168493 /nfs/dbraw/zinc/16/84/93/917168493.db2.gz ZJTNWURCHRARFW-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482587149 917168501 /nfs/dbraw/zinc/16/85/01/917168501.db2.gz ZJTNWURCHRARFW-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001482587149 917168506 /nfs/dbraw/zinc/16/85/06/917168506.db2.gz ZJTNWURCHRARFW-NEPJUHHUSA-N 2 1 284.404 -0.395 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001482758461 917257291 /nfs/dbraw/zinc/25/72/91/917257291.db2.gz CYFRRWGPTJVDFX-STQMWFEESA-N 2 1 269.389 -0.053 20 0 CBADMP COCC[NH2+]C[C@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482765688 917262974 /nfs/dbraw/zinc/26/29/74/917262974.db2.gz BBECGSWKGGAVLM-RYUDHWBXSA-N 2 1 273.377 -0.959 20 0 CBADMP CC(C)OCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482790676 917285876 /nfs/dbraw/zinc/28/58/76/917285876.db2.gz HKFPJXIIZAUVSP-QWHCGFSZSA-N 2 1 287.404 -0.570 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC2CCOCC2)C1 ZINC001482791463 917287145 /nfs/dbraw/zinc/28/71/45/917287145.db2.gz SHUVZOUHWNHZCD-ZIAGYGMSSA-N 2 1 299.415 -0.569 20 0 CBADMP C[C@@H](CC[NH2+]CCO)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001482847248 917309154 /nfs/dbraw/zinc/30/91/54/917309154.db2.gz AULGKGNMRWAONC-JTQLQIEISA-N 2 1 284.360 -0.174 20 0 CBADMP C[C@H](CC[NH2+]CCO)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001482847249 917310888 /nfs/dbraw/zinc/31/08/88/917310888.db2.gz AULGKGNMRWAONC-SNVBAGLBSA-N 2 1 284.360 -0.174 20 0 CBADMP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482865908 917316592 /nfs/dbraw/zinc/31/65/92/917316592.db2.gz SBQDRDRVKPPNOR-AVGNSLFASA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482899305 917326402 /nfs/dbraw/zinc/32/64/02/917326402.db2.gz NRYFNCKPNZJYHY-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)Cn1c[nH+]cc1C ZINC001482937426 917341254 /nfs/dbraw/zinc/34/12/54/917341254.db2.gz KPAPALDAAUSNOH-GFCCVEGCSA-N 2 1 295.387 -0.236 20 0 CBADMP CC[C@@H]([NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001482966708 917350472 /nfs/dbraw/zinc/35/04/72/917350472.db2.gz HETCYOAMKGFOFX-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001483009895 917373574 /nfs/dbraw/zinc/37/35/74/917373574.db2.gz IHCITGPGLFJDLJ-MVZIDQBPSA-N 2 1 282.388 -0.394 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001483046018 917385814 /nfs/dbraw/zinc/38/58/14/917385814.db2.gz ASVGYWSUZDWJDF-BYCRGOAPSA-N 2 1 268.361 -0.782 20 0 CBADMP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483082724 917405832 /nfs/dbraw/zinc/40/58/32/917405832.db2.gz VQOMZEPWNFWMDM-IHVVCDCBSA-N 2 1 296.415 -0.322 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC(=O)NC ZINC001483182335 917454143 /nfs/dbraw/zinc/45/41/43/917454143.db2.gz UVBNPGVNCXGHKT-SNVBAGLBSA-N 2 1 258.366 -0.832 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001483199735 917461072 /nfs/dbraw/zinc/46/10/72/917461072.db2.gz TUFLVFVKRWAOEO-GFCCVEGCSA-N 2 1 292.383 -0.302 20 0 CBADMP C[C@H](C[NH2+]CC(N)=O)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001483199735 917461083 /nfs/dbraw/zinc/46/10/83/917461083.db2.gz TUFLVFVKRWAOEO-GFCCVEGCSA-N 2 1 292.383 -0.302 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CCC[NH+](C)C ZINC001483260485 917498768 /nfs/dbraw/zinc/49/87/68/917498768.db2.gz FXQOZJLBAFIAAW-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483282998 917504799 /nfs/dbraw/zinc/50/47/99/917504799.db2.gz GCFREBSDZQGEID-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001483299254 917510650 /nfs/dbraw/zinc/51/06/50/917510650.db2.gz TUFLVFVKRWAOEO-LBPRGKRZSA-N 2 1 292.383 -0.302 20 0 CBADMP C[C@@H](C[NH2+]CCCO)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001483288205 917511852 /nfs/dbraw/zinc/51/18/52/917511852.db2.gz SXPJVNGIBTYDRR-JSGCOSHPSA-N 2 1 269.389 -0.051 20 0 CBADMP C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483340332 917539602 /nfs/dbraw/zinc/53/96/02/917539602.db2.gz ZRJAPJBQJIWXGC-AAEUAGOBSA-N 2 1 269.389 -0.243 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001483466796 917575579 /nfs/dbraw/zinc/57/55/79/917575579.db2.gz PSBGHIONADYCAN-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H]([NH2+]CCCN(C)C(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001483480087 917578861 /nfs/dbraw/zinc/57/88/61/917578861.db2.gz YAQADRLPUSDQBL-GFCCVEGCSA-N 2 1 295.387 -0.106 20 0 CBADMP CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001483484888 917579537 /nfs/dbraw/zinc/57/95/37/917579537.db2.gz VDBCNISHTCIKQM-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O ZINC001483502002 917583384 /nfs/dbraw/zinc/58/33/84/917583384.db2.gz NBCKXSOMWVHRKX-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCOCCO)C1 ZINC001483702541 917648135 /nfs/dbraw/zinc/64/81/35/917648135.db2.gz PWRPWIMOKRSWPG-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCOCCO)C1 ZINC001483702541 917648148 /nfs/dbraw/zinc/64/81/48/917648148.db2.gz PWRPWIMOKRSWPG-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCOCCO)C1 ZINC001483702541 917648157 /nfs/dbraw/zinc/64/81/57/917648157.db2.gz PWRPWIMOKRSWPG-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCOCCO)C1 ZINC001483702541 917648167 /nfs/dbraw/zinc/64/81/67/917648167.db2.gz PWRPWIMOKRSWPG-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001483722475 917657247 /nfs/dbraw/zinc/65/72/47/917657247.db2.gz XVRXLHLBSHYGIJ-QWRGUYRKSA-N 2 1 280.372 -0.793 20 0 CBADMP CN1CC[C@H]([NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001483721851 917657304 /nfs/dbraw/zinc/65/73/04/917657304.db2.gz LHDCBQKHPPKZHM-RYUDHWBXSA-N 2 1 294.399 -0.450 20 0 CBADMP CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001483791104 917680188 /nfs/dbraw/zinc/68/01/88/917680188.db2.gz QONNYWJNQQLMGN-LLVKDONJSA-N 2 1 282.388 -0.687 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001483940910 917707533 /nfs/dbraw/zinc/70/75/33/917707533.db2.gz ILLBWCCFDGXLLG-WDEREUQCSA-N 2 1 268.361 -0.854 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CCOCCO)C2)C1 ZINC001484072491 917734095 /nfs/dbraw/zinc/73/40/95/917734095.db2.gz VOQVBYJUVAIYIQ-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@H+](CCOCCO)C2)C1 ZINC001484072491 917734113 /nfs/dbraw/zinc/73/41/13/917734113.db2.gz VOQVBYJUVAIYIQ-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCOCCO)C2)C1 ZINC001484072491 917734131 /nfs/dbraw/zinc/73/41/31/917734131.db2.gz VOQVBYJUVAIYIQ-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC(N)=O)CC1 ZINC001484132090 917745129 /nfs/dbraw/zinc/74/51/29/917745129.db2.gz KXFFLEMYYAELEG-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CCO)C2)C1 ZINC001484124624 917745547 /nfs/dbraw/zinc/74/55/47/917745547.db2.gz IVLCESOCQOCQGS-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CCO)C2)C1 ZINC001484124624 917745562 /nfs/dbraw/zinc/74/55/62/917745562.db2.gz IVLCESOCQOCQGS-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001484187641 917747293 /nfs/dbraw/zinc/74/72/93/917747293.db2.gz IPTKSYCFIYJGKT-ZDUSSCGKSA-N 2 1 299.415 -0.425 20 0 CBADMP CC[N@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001484238771 917785105 /nfs/dbraw/zinc/78/51/05/917785105.db2.gz LVKXDQJQDGYCDN-AWEZNQCLSA-N 2 1 269.389 -0.099 20 0 CBADMP COCCC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484238797 917786294 /nfs/dbraw/zinc/78/62/94/917786294.db2.gz MBWAFTJYPSAQDO-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC)C1)[NH+](C)C ZINC001484238881 917787276 /nfs/dbraw/zinc/78/72/76/917787276.db2.gz ZNSDAURTEIOIOF-AAEUAGOBSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484250196 917791105 /nfs/dbraw/zinc/79/11/05/917791105.db2.gz DBBNOZFRQGVXBT-ZDUSSCGKSA-N 2 1 255.362 -0.345 20 0 CBADMP C[NH+](C)CCC(=O)NCC1(O)C[NH+](CC[C@H]2CCCO2)C1 ZINC001484293952 917818969 /nfs/dbraw/zinc/81/89/69/917818969.db2.gz UDINHRHAJXWALI-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001484443407 917855578 /nfs/dbraw/zinc/85/55/78/917855578.db2.gz GTGNLSUNBKLVSY-ZFWWWQNUSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001484443407 917855584 /nfs/dbraw/zinc/85/55/84/917855584.db2.gz GTGNLSUNBKLVSY-ZFWWWQNUSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001484443407 917855597 /nfs/dbraw/zinc/85/55/97/917855597.db2.gz GTGNLSUNBKLVSY-ZFWWWQNUSA-N 2 1 299.415 -0.736 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]CCO)CC[N@H+]1C ZINC001484483538 917869958 /nfs/dbraw/zinc/86/99/58/917869958.db2.gz RAOJOWOIGIFYKC-QWHCGFSZSA-N 2 1 287.404 -0.881 20 0 CBADMP O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N(CCO)CC[NH2+]CCO ZINC001484495979 917878150 /nfs/dbraw/zinc/87/81/50/917878150.db2.gz IRZXWQDVKVGOSC-KGLIPLIRSA-N 2 1 299.415 -0.594 20 0 CBADMP COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001484671486 917914101 /nfs/dbraw/zinc/91/41/01/917914101.db2.gz PEAFYFWCAUEFAA-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP C[N@@H+](CC(=O)N1CCO[C@@H](C[NH2+]CCO)C1)C1CCC1 ZINC001484681786 917921363 /nfs/dbraw/zinc/92/13/63/917921363.db2.gz ZNBMIYSQJGNSBB-ZDUSSCGKSA-N 2 1 285.388 -0.720 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001484768987 917937350 /nfs/dbraw/zinc/93/73/50/917937350.db2.gz ZMAGEHZPVMZOQU-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2(C[NH2+]CCO)CCOCC2)C1 ZINC001484872171 917956178 /nfs/dbraw/zinc/95/61/78/917956178.db2.gz UVWZCARLDQAGAK-LBPRGKRZSA-N 2 1 285.388 -0.815 20 0 CBADMP C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)[C@H](C)[NH2+]CCO ZINC001485166361 918018958 /nfs/dbraw/zinc/01/89/58/918018958.db2.gz BEVHHKZHBWCPBS-UWVGGRQHSA-N 2 1 284.360 -0.175 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(N)=O ZINC001485229847 918033032 /nfs/dbraw/zinc/03/30/32/918033032.db2.gz MWKGJBRIZZLVLC-UWVGGRQHSA-N 2 1 258.366 -0.705 20 0 CBADMP CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485265407 918038435 /nfs/dbraw/zinc/03/84/35/918038435.db2.gz YTMFZAXREWDZMI-LBPRGKRZSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@@H+](C)CCO ZINC001485343593 918082530 /nfs/dbraw/zinc/08/25/30/918082530.db2.gz HMINFGZVTQOZMP-LLVKDONJSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CC(=O)N(C)C ZINC001485352335 918088956 /nfs/dbraw/zinc/08/89/56/918088956.db2.gz YJGLBSQHOBUGPB-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)CC(=O)N(C)C ZINC001485352335 918088966 /nfs/dbraw/zinc/08/89/66/918088966.db2.gz YJGLBSQHOBUGPB-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)CC(=O)N(C)C ZINC001485352335 918088980 /nfs/dbraw/zinc/08/89/80/918088980.db2.gz YJGLBSQHOBUGPB-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)CC(=O)N(C)C ZINC001485352335 918088988 /nfs/dbraw/zinc/08/89/88/918088988.db2.gz YJGLBSQHOBUGPB-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001485373127 918098946 /nfs/dbraw/zinc/09/89/46/918098946.db2.gz KQWNGRUZJNUYSO-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCCCC1 ZINC001485447790 918123469 /nfs/dbraw/zinc/12/34/69/918123469.db2.gz FCMOWDYSOZCTKL-GFCCVEGCSA-N 2 1 296.415 -0.025 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@@]2(C1)C[NH+](CCO)CCO2 ZINC001485559397 918144835 /nfs/dbraw/zinc/14/48/35/918144835.db2.gz XAFDWAWVPIXONN-HNNXBMFYSA-N 2 1 299.415 -0.376 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@]2(C1)C[NH+](CCO)CCO2 ZINC001485559397 918144845 /nfs/dbraw/zinc/14/48/45/918144845.db2.gz XAFDWAWVPIXONN-HNNXBMFYSA-N 2 1 299.415 -0.376 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC001485559397 918144858 /nfs/dbraw/zinc/14/48/58/918144858.db2.gz XAFDWAWVPIXONN-HNNXBMFYSA-N 2 1 299.415 -0.376 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC001485559397 918144866 /nfs/dbraw/zinc/14/48/66/918144866.db2.gz XAFDWAWVPIXONN-HNNXBMFYSA-N 2 1 299.415 -0.376 20 0 CBADMP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485748949 918182154 /nfs/dbraw/zinc/18/21/54/918182154.db2.gz QEVOSOPFTZTPCQ-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001485855640 918205808 /nfs/dbraw/zinc/20/58/08/918205808.db2.gz MELPWHRHMMQFDO-YPMHNXCESA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001485855640 918205827 /nfs/dbraw/zinc/20/58/27/918205827.db2.gz MELPWHRHMMQFDO-YPMHNXCESA-N 2 1 294.403 -0.154 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC ZINC001486002011 918292932 /nfs/dbraw/zinc/29/29/32/918292932.db2.gz LMJGQRNOHFBCFI-RYUDHWBXSA-N 2 1 257.378 -0.053 20 0 CBADMP CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001486026757 918321113 /nfs/dbraw/zinc/32/11/13/918321113.db2.gz IGKSAFUVWAOGNJ-RYUDHWBXSA-N 2 1 280.372 -0.159 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001486045347 918337019 /nfs/dbraw/zinc/33/70/19/918337019.db2.gz ULOFBGOHIWRNOO-CQSZACIVSA-N 2 1 299.415 -0.425 20 0 CBADMP CC(C)[NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001486045411 918341615 /nfs/dbraw/zinc/34/16/15/918341615.db2.gz UUBQFTMTRVKLJV-GFCCVEGCSA-N 2 1 273.377 -0.816 20 0 CBADMP CC(C)[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001486045413 918342492 /nfs/dbraw/zinc/34/24/92/918342492.db2.gz UUBQFTMTRVKLJV-LBPRGKRZSA-N 2 1 273.377 -0.816 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CCO)C[C@H]1C ZINC001486131145 918371262 /nfs/dbraw/zinc/37/12/62/918371262.db2.gz UOSLIBGBTMZZBD-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001486220096 918385329 /nfs/dbraw/zinc/38/53/29/918385329.db2.gz XNQVLNPJGSACRK-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001486218945 918385592 /nfs/dbraw/zinc/38/55/92/918385592.db2.gz AUJMJDBSXOLSDF-RYUDHWBXSA-N 2 1 293.371 -0.449 20 0 CBADMP CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)CC[NH+](C)C ZINC001486348221 918442597 /nfs/dbraw/zinc/44/25/97/918442597.db2.gz XOQCOXQUFIVWNI-NSHDSACASA-N 2 1 263.357 -0.341 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)CC[NH+](C)C ZINC001486348221 918442600 /nfs/dbraw/zinc/44/26/00/918442600.db2.gz XOQCOXQUFIVWNI-NSHDSACASA-N 2 1 263.357 -0.341 20 0 CBADMP CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)C[NH+]1CCCC1 ZINC001486355476 918451076 /nfs/dbraw/zinc/45/10/76/918451076.db2.gz IDVPYZMELTYBRS-LBPRGKRZSA-N 2 1 275.368 -0.197 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)C[NH+]1CCCC1 ZINC001486355476 918451089 /nfs/dbraw/zinc/45/10/89/918451089.db2.gz IDVPYZMELTYBRS-LBPRGKRZSA-N 2 1 275.368 -0.197 20 0 CBADMP CN(CCOCC[NH2+]CCO)C(=O)[C@H]1CCCC[N@H+]1C ZINC001486494236 918476750 /nfs/dbraw/zinc/47/67/50/918476750.db2.gz CWKXDEKPJPYJOI-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[NH+](C)CCC(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001486514916 918479147 /nfs/dbraw/zinc/47/91/47/918479147.db2.gz MPZSUJWPWZIKSI-UHFFFAOYSA-N 2 1 268.361 -0.828 20 0 CBADMP C[NH+](C)CCC(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001486514916 918479157 /nfs/dbraw/zinc/47/91/57/918479157.db2.gz MPZSUJWPWZIKSI-UHFFFAOYSA-N 2 1 268.361 -0.828 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001488785129 918766925 /nfs/dbraw/zinc/76/69/25/918766925.db2.gz MMYALXWTQXDISC-BETUJISGSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCOC)C2)C1 ZINC001488800606 918767943 /nfs/dbraw/zinc/76/79/43/918767943.db2.gz UZLZLTSVFLSPST-MJBXVCDLSA-N 2 1 299.415 -0.162 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCOC)C2)C1 ZINC001488800606 918767960 /nfs/dbraw/zinc/76/79/60/918767960.db2.gz UZLZLTSVFLSPST-MJBXVCDLSA-N 2 1 299.415 -0.162 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCOC)C2)C1 ZINC001488800604 918768284 /nfs/dbraw/zinc/76/82/84/918768284.db2.gz UZLZLTSVFLSPST-HZSPNIEDSA-N 2 1 299.415 -0.162 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCOC)C2)C1 ZINC001488800604 918768297 /nfs/dbraw/zinc/76/82/97/918768297.db2.gz UZLZLTSVFLSPST-HZSPNIEDSA-N 2 1 299.415 -0.162 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001488817066 918773176 /nfs/dbraw/zinc/77/31/76/918773176.db2.gz UFDPLIIPFKEPJK-AVGNSLFASA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001489031532 918784579 /nfs/dbraw/zinc/78/45/79/918784579.db2.gz LQNDYFVIBAWOPO-AGIUHOORSA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001490166420 918852015 /nfs/dbraw/zinc/85/20/15/918852015.db2.gz QOWYJTHGFNPPBG-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001490166420 918852022 /nfs/dbraw/zinc/85/20/22/918852022.db2.gz QOWYJTHGFNPPBG-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001490166420 918852030 /nfs/dbraw/zinc/85/20/30/918852030.db2.gz QOWYJTHGFNPPBG-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001490213031 918862487 /nfs/dbraw/zinc/86/24/87/918862487.db2.gz BFTNSJOFAAQBGC-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001490213031 918862499 /nfs/dbraw/zinc/86/24/99/918862499.db2.gz BFTNSJOFAAQBGC-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001490213031 918862512 /nfs/dbraw/zinc/86/25/12/918862512.db2.gz BFTNSJOFAAQBGC-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001490245180 918874547 /nfs/dbraw/zinc/87/45/47/918874547.db2.gz LVMGBQXLAYQFOT-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001490270475 918880495 /nfs/dbraw/zinc/88/04/95/918880495.db2.gz PVTZNALHPAQCEJ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001490270475 918880504 /nfs/dbraw/zinc/88/05/04/918880504.db2.gz PVTZNALHPAQCEJ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001490270475 918880522 /nfs/dbraw/zinc/88/05/22/918880522.db2.gz PVTZNALHPAQCEJ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP Cn1nncc1C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490279212 918882588 /nfs/dbraw/zinc/88/25/88/918882588.db2.gz ASSJROFTZWPJFU-LBPRGKRZSA-N 2 1 294.403 -0.295 20 0 CBADMP Cn1nncc1C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490279212 918882597 /nfs/dbraw/zinc/88/25/97/918882597.db2.gz ASSJROFTZWPJFU-LBPRGKRZSA-N 2 1 294.403 -0.295 20 0 CBADMP Cn1nncc1C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001490279212 918882608 /nfs/dbraw/zinc/88/26/08/918882608.db2.gz ASSJROFTZWPJFU-LBPRGKRZSA-N 2 1 294.403 -0.295 20 0 CBADMP Cn1nncc1C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001490279212 918882620 /nfs/dbraw/zinc/88/26/20/918882620.db2.gz ASSJROFTZWPJFU-LBPRGKRZSA-N 2 1 294.403 -0.295 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001490279529 918885405 /nfs/dbraw/zinc/88/54/05/918885405.db2.gz IRXCDVLDSJAPRN-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCNC1=O ZINC001490279529 918885420 /nfs/dbraw/zinc/88/54/20/918885420.db2.gz IRXCDVLDSJAPRN-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC001490279529 918885433 /nfs/dbraw/zinc/88/54/33/918885433.db2.gz IRXCDVLDSJAPRN-NWDGAFQWSA-N 2 1 282.388 -0.735 20 0 CBADMP CCNC(=O)C[N@@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490356618 918894319 /nfs/dbraw/zinc/89/43/19/918894319.db2.gz JDOIFESRYQLOME-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+](CC)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001490356618 918894335 /nfs/dbraw/zinc/89/43/35/918894335.db2.gz JDOIFESRYQLOME-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+](CC)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001490356618 918894347 /nfs/dbraw/zinc/89/43/47/918894347.db2.gz JDOIFESRYQLOME-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP COCC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001490485495 918913138 /nfs/dbraw/zinc/91/31/38/918913138.db2.gz GJEGJMAYZKCCNQ-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001490558255 918934338 /nfs/dbraw/zinc/93/43/38/918934338.db2.gz DGOVVGSRPZCUMV-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001490558243 918935248 /nfs/dbraw/zinc/93/52/48/918935248.db2.gz CYJIASYYASYEOV-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001490558243 918935259 /nfs/dbraw/zinc/93/52/59/918935259.db2.gz CYJIASYYASYEOV-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490558300 918939267 /nfs/dbraw/zinc/93/92/67/918939267.db2.gz FGFMNIYEBFUUFQ-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490558300 918939276 /nfs/dbraw/zinc/93/92/76/918939276.db2.gz FGFMNIYEBFUUFQ-NSHDSACASA-N 2 1 270.377 -0.735 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CCCO)C2CC2)C1 ZINC001490648755 918951193 /nfs/dbraw/zinc/95/11/93/918951193.db2.gz MDOFBDWGFCTFJE-CHWSQXEVSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CCCO)C2CC2)C1 ZINC001490648755 918951209 /nfs/dbraw/zinc/95/12/09/918951209.db2.gz MDOFBDWGFCTFJE-CHWSQXEVSA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CCF)C2CC2)C1 ZINC001490649463 918952489 /nfs/dbraw/zinc/95/24/89/918952489.db2.gz SXHSOAXLMVJXDZ-VXGBXAGGSA-N 2 1 273.352 -0.229 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CCF)C2CC2)C1 ZINC001490649463 918952503 /nfs/dbraw/zinc/95/25/03/918952503.db2.gz SXHSOAXLMVJXDZ-VXGBXAGGSA-N 2 1 273.352 -0.229 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001490836704 918976486 /nfs/dbraw/zinc/97/64/86/918976486.db2.gz XVXLSZJCAOVHPQ-SDDRHHMPSA-N 2 1 282.388 -0.594 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001490876188 918984377 /nfs/dbraw/zinc/98/43/77/918984377.db2.gz DKLIOBWOADPCSV-KKOKHZNYSA-N 2 1 282.388 -0.548 20 0 CBADMP COCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001490938889 918993196 /nfs/dbraw/zinc/99/31/96/918993196.db2.gz RNNFOZJZRVFEJS-JOCQHMNTSA-N 2 1 285.388 -0.408 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001491073283 919024436 /nfs/dbraw/zinc/02/44/36/919024436.db2.gz IERNTHLYKXZWSL-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001491073283 919024452 /nfs/dbraw/zinc/02/44/52/919024452.db2.gz IERNTHLYKXZWSL-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001491419219 919150190 /nfs/dbraw/zinc/15/01/90/919150190.db2.gz ZMOBDLREZNGONJ-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC ZINC001491474597 919177741 /nfs/dbraw/zinc/17/77/41/919177741.db2.gz VLTXPCNSRLEIAP-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001491528308 919191548 /nfs/dbraw/zinc/19/15/48/919191548.db2.gz LNYIEASZCHQAHZ-CMPLNLGQSA-N 2 1 284.360 -0.707 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1nnnn1C ZINC001491578351 919217390 /nfs/dbraw/zinc/21/73/90/919217390.db2.gz CTKMURYTFFTJHF-QWRGUYRKSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1nnnn1C ZINC001491578351 919217399 /nfs/dbraw/zinc/21/73/99/919217399.db2.gz CTKMURYTFFTJHF-QWRGUYRKSA-N 2 1 295.391 -0.854 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCOCCO)C2)C1 ZINC001491771122 919270837 /nfs/dbraw/zinc/27/08/37/919270837.db2.gz UHRUCLTVODJEQD-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CCCO)C2)C1 ZINC001491795131 919282000 /nfs/dbraw/zinc/28/20/00/919282000.db2.gz PMKJBRQVVCNCEL-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CCCO)C2)C1 ZINC001491795131 919282014 /nfs/dbraw/zinc/28/20/14/919282014.db2.gz PMKJBRQVVCNCEL-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001491849113 919290303 /nfs/dbraw/zinc/29/03/03/919290303.db2.gz DKRSMINBQSECIW-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC)C1 ZINC001491849701 919291033 /nfs/dbraw/zinc/29/10/33/919291033.db2.gz KQMFAPYFNOYLOJ-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001491876723 919294417 /nfs/dbraw/zinc/29/44/17/919294417.db2.gz IDAZERCKLGXPTF-NEPJUHHUSA-N 2 1 296.415 -0.027 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001492395164 919409268 /nfs/dbraw/zinc/40/92/68/919409268.db2.gz UUEKMGQTODVUFD-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP C[NH+](C)CCCC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001492395164 919409283 /nfs/dbraw/zinc/40/92/83/919409283.db2.gz UUEKMGQTODVUFD-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)[C@H]2CCCNC2=O)C1 ZINC001492422985 919413636 /nfs/dbraw/zinc/41/36/36/919413636.db2.gz KODRYINYOYNGAS-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)[C@H]2CCCNC2=O)C1 ZINC001492422985 919413648 /nfs/dbraw/zinc/41/36/48/919413648.db2.gz KODRYINYOYNGAS-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001492422985 919413655 /nfs/dbraw/zinc/41/36/55/919413655.db2.gz KODRYINYOYNGAS-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)[C@H]2CCCNC2=O)C1 ZINC001492422985 919413662 /nfs/dbraw/zinc/41/36/62/919413662.db2.gz KODRYINYOYNGAS-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001492423013 919414268 /nfs/dbraw/zinc/41/42/68/919414268.db2.gz KZFXWUJEJQSMMS-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001492423013 919414283 /nfs/dbraw/zinc/41/42/83/919414283.db2.gz KZFXWUJEJQSMMS-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001492423013 919414293 /nfs/dbraw/zinc/41/42/93/919414293.db2.gz KZFXWUJEJQSMMS-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001492423013 919414305 /nfs/dbraw/zinc/41/43/05/919414305.db2.gz KZFXWUJEJQSMMS-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001492423010 919414613 /nfs/dbraw/zinc/41/46/13/919414613.db2.gz KZFXWUJEJQSMMS-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001492423010 919414621 /nfs/dbraw/zinc/41/46/21/919414621.db2.gz KZFXWUJEJQSMMS-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001492423010 919414633 /nfs/dbraw/zinc/41/46/33/919414633.db2.gz KZFXWUJEJQSMMS-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001492423010 919414637 /nfs/dbraw/zinc/41/46/37/919414637.db2.gz KZFXWUJEJQSMMS-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP Cn1cc(CC[N@@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)cn1 ZINC001492853132 919434761 /nfs/dbraw/zinc/43/47/61/919434761.db2.gz AJFZETOCBOGHAN-AWEZNQCLSA-N 2 1 293.415 -0.038 20 0 CBADMP Cn1cc(CC[NH+](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001492853132 919434770 /nfs/dbraw/zinc/43/47/70/919434770.db2.gz AJFZETOCBOGHAN-AWEZNQCLSA-N 2 1 293.415 -0.038 20 0 CBADMP Cn1cc(CC[NH+](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001492853132 919434782 /nfs/dbraw/zinc/43/47/82/919434782.db2.gz AJFZETOCBOGHAN-AWEZNQCLSA-N 2 1 293.415 -0.038 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001492925411 919448000 /nfs/dbraw/zinc/44/80/00/919448000.db2.gz CUQILFBMXAETKH-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001492925411 919448005 /nfs/dbraw/zinc/44/80/05/919448005.db2.gz CUQILFBMXAETKH-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001492925411 919448015 /nfs/dbraw/zinc/44/80/15/919448015.db2.gz CUQILFBMXAETKH-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCNC1=O ZINC001493012731 919468557 /nfs/dbraw/zinc/46/85/57/919468557.db2.gz UIKOHTVUSUTPGI-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)[C@@H](C)C(=O)NC ZINC001493063850 919475871 /nfs/dbraw/zinc/47/58/71/919475871.db2.gz YWPJYBQKBUNVNE-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)[C@@H](C)C(=O)NC ZINC001493063850 919475876 /nfs/dbraw/zinc/47/58/76/919475876.db2.gz YWPJYBQKBUNVNE-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)[C@@H](C)C(=O)NC ZINC001493063850 919475881 /nfs/dbraw/zinc/47/58/81/919475881.db2.gz YWPJYBQKBUNVNE-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)[C@@H](C)C(=O)NC ZINC001493063850 919475884 /nfs/dbraw/zinc/47/58/84/919475884.db2.gz YWPJYBQKBUNVNE-LBPRGKRZSA-N 2 1 286.420 -0.101 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001493111908 919478976 /nfs/dbraw/zinc/47/89/76/919478976.db2.gz UMZZSBFVBKXJMY-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001493111908 919478988 /nfs/dbraw/zinc/47/89/88/919478988.db2.gz UMZZSBFVBKXJMY-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001493111908 919478998 /nfs/dbraw/zinc/47/89/98/919478998.db2.gz UMZZSBFVBKXJMY-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001493111908 919479007 /nfs/dbraw/zinc/47/90/07/919479007.db2.gz UMZZSBFVBKXJMY-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001493128445 919484937 /nfs/dbraw/zinc/48/49/37/919484937.db2.gz MSPRIEWCGZALLT-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001493128445 919484948 /nfs/dbraw/zinc/48/49/48/919484948.db2.gz MSPRIEWCGZALLT-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001493159595 919488688 /nfs/dbraw/zinc/48/86/88/919488688.db2.gz CMNLQXVACKZUMY-UONOGXRCSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001493235660 919508182 /nfs/dbraw/zinc/50/81/82/919508182.db2.gz XELLTGPBQUAROO-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493235086 919510181 /nfs/dbraw/zinc/51/01/81/919510181.db2.gz VDJUWDKZBMXNJO-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(N)=O ZINC001493332175 919526165 /nfs/dbraw/zinc/52/61/65/919526165.db2.gz MGPJHXPCTXRQIU-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(N)=O ZINC001493332175 919526175 /nfs/dbraw/zinc/52/61/75/919526175.db2.gz MGPJHXPCTXRQIU-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(N)=O ZINC001493332175 919526192 /nfs/dbraw/zinc/52/61/92/919526192.db2.gz MGPJHXPCTXRQIU-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(N)=O ZINC001493332175 919526203 /nfs/dbraw/zinc/52/62/03/919526203.db2.gz MGPJHXPCTXRQIU-LLVKDONJSA-N 2 1 270.377 -0.748 20 0 CBADMP CN(CC[NH2+]CC(N)=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001493584142 919585216 /nfs/dbraw/zinc/58/52/16/919585216.db2.gz KNXJOUQPTUZJPB-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CN(CC[NH2+]Cc1nnnn1C)C(=O)CCC[NH+](C)C ZINC001493676788 919603605 /nfs/dbraw/zinc/60/36/05/919603605.db2.gz OIPMNFCNIVFRRS-UHFFFAOYSA-N 2 1 283.380 -0.900 20 0 CBADMP CNC(=O)C[NH2+]CCN(C)C(=O)CCCn1cc[nH+]c1C ZINC001493731308 919611384 /nfs/dbraw/zinc/61/13/84/919611384.db2.gz CSVFKWVVSRMKPF-UHFFFAOYSA-N 2 1 295.387 -0.234 20 0 CBADMP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001493762104 919616150 /nfs/dbraw/zinc/61/61/50/919616150.db2.gz QAUYOPVAFSRHIB-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CCCNC(=O)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001493761443 919616829 /nfs/dbraw/zinc/61/68/29/919616829.db2.gz KHPGWVPSONXJQU-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CN(CC[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001493793717 919620290 /nfs/dbraw/zinc/62/02/90/919620290.db2.gz KSQDZVHCWRUPFB-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001493806842 919626563 /nfs/dbraw/zinc/62/65/63/919626563.db2.gz PZVILYNZTYIMCW-JTQLQIEISA-N 2 1 258.366 -0.752 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001494149378 919663537 /nfs/dbraw/zinc/66/35/37/919663537.db2.gz ZUGMGFDEJIHUBP-GFCCVEGCSA-N 2 1 293.371 -0.543 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001494149378 919663549 /nfs/dbraw/zinc/66/35/49/919663549.db2.gz ZUGMGFDEJIHUBP-GFCCVEGCSA-N 2 1 293.371 -0.543 20 0 CBADMP C[N@@H+](CCO)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494182001 919669510 /nfs/dbraw/zinc/66/95/10/919669510.db2.gz VMHRJFZUYWCSKH-STQMWFEESA-N 2 1 269.389 -0.289 20 0 CBADMP C[NH+](CCO)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001494182001 919669523 /nfs/dbraw/zinc/66/95/23/919669523.db2.gz VMHRJFZUYWCSKH-STQMWFEESA-N 2 1 269.389 -0.289 20 0 CBADMP C[NH+](CCO)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001494182001 919669538 /nfs/dbraw/zinc/66/95/38/919669538.db2.gz VMHRJFZUYWCSKH-STQMWFEESA-N 2 1 269.389 -0.289 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494761608 919787049 /nfs/dbraw/zinc/78/70/49/919787049.db2.gz RHKAEJCIQCCKGT-UPJWGTAASA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494761608 919787055 /nfs/dbraw/zinc/78/70/55/919787055.db2.gz RHKAEJCIQCCKGT-UPJWGTAASA-N 2 1 298.431 -0.102 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001494848947 919804335 /nfs/dbraw/zinc/80/43/35/919804335.db2.gz UIUBSAXPZDOCAC-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)[NH2+]CCOC ZINC001495109377 919866409 /nfs/dbraw/zinc/86/64/09/919866409.db2.gz VKGVYENTJFRHPB-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)[NH2+]CCOC ZINC001495109377 919866436 /nfs/dbraw/zinc/86/64/36/919866436.db2.gz VKGVYENTJFRHPB-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC2CC[NH+](CCO)CC2)C1 ZINC001495509593 919896962 /nfs/dbraw/zinc/89/69/62/919896962.db2.gz FTFIQIZUWKEQOG-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC2CC[NH+](CCO)CC2)C1 ZINC001495509593 919896974 /nfs/dbraw/zinc/89/69/74/919896974.db2.gz FTFIQIZUWKEQOG-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001496031532 920009130 /nfs/dbraw/zinc/00/91/30/920009130.db2.gz UARXGVNZHIOFEQ-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001496031532 920009148 /nfs/dbraw/zinc/00/91/48/920009148.db2.gz UARXGVNZHIOFEQ-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)N(C)C(=O)CC[NH+](C)C ZINC001496149590 920034564 /nfs/dbraw/zinc/03/45/64/920034564.db2.gz MPRJBLVHOKWECY-QWRGUYRKSA-N 2 1 297.407 -0.341 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001496210083 920041514 /nfs/dbraw/zinc/04/15/14/920041514.db2.gz OROURGADKRJIKO-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001496208962 920042820 /nfs/dbraw/zinc/04/28/20/920042820.db2.gz ICGZCWXXYCLLOG-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496230433 920047974 /nfs/dbraw/zinc/04/79/74/920047974.db2.gz WLJQZFHJRKZSSH-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001496640535 920101283 /nfs/dbraw/zinc/10/12/83/920101283.db2.gz AQUANYCHZACONB-GFCCVEGCSA-N 2 1 295.387 -0.332 20 0 CBADMP CN(CC[N@@H+](C)CCOCCO)C(=O)C12CC[NH+](CC1)C2 ZINC001496817365 920137227 /nfs/dbraw/zinc/13/72/27/920137227.db2.gz XQQQSKOJXXQTMN-UHFFFAOYSA-N 2 1 299.415 -0.519 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001496816074 920140319 /nfs/dbraw/zinc/14/03/19/920140319.db2.gz BZSYNOGDNUAXIC-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001496816074 920140331 /nfs/dbraw/zinc/14/03/31/920140331.db2.gz BZSYNOGDNUAXIC-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496816074 920140337 /nfs/dbraw/zinc/14/03/37/920140337.db2.gz BZSYNOGDNUAXIC-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001496816074 920140350 /nfs/dbraw/zinc/14/03/50/920140350.db2.gz BZSYNOGDNUAXIC-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1nccs1 ZINC001497048095 920229453 /nfs/dbraw/zinc/22/94/53/920229453.db2.gz PSBFTUMWSLLRIC-SNVBAGLBSA-N 2 1 286.401 -0.339 20 0 CBADMP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497495401 920309597 /nfs/dbraw/zinc/30/95/97/920309597.db2.gz GTQKMGUFWNJHOB-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CCNC(=O)C[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001497484195 920309961 /nfs/dbraw/zinc/30/99/61/920309961.db2.gz JCGBZNAWZIIQBD-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001497548141 920329140 /nfs/dbraw/zinc/32/91/40/920329140.db2.gz IQVZDDNPBFUQSR-SEUFLZDSSA-N 2 1 268.361 -0.784 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CCO)CC[N@H+]1C ZINC001497585577 920350181 /nfs/dbraw/zinc/35/01/81/920350181.db2.gz KLANNBXNUQMYEW-OPVGQWETSA-N 2 1 255.362 -0.419 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC/C=C\C[NH2+]CCCO ZINC001497638804 920359210 /nfs/dbraw/zinc/35/92/10/920359210.db2.gz HPHWMJAXTTYXOJ-IHWYPQMZSA-N 2 1 266.345 -0.164 20 0 CBADMP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnnn1C)[NH+](C)C ZINC001498115618 920485677 /nfs/dbraw/zinc/48/56/77/920485677.db2.gz UVFAONBIWIHPBR-DCAQKATOSA-N 2 1 297.407 -0.294 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC(NC(=O)C[N@H+](C)CCC)C1 ZINC001498327639 920551256 /nfs/dbraw/zinc/55/12/56/920551256.db2.gz OOXJGWKLBTZUDY-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NC1CN(C(=O)C[N@H+](C)CCC)C1 ZINC001498327639 920551267 /nfs/dbraw/zinc/55/12/67/920551267.db2.gz OOXJGWKLBTZUDY-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)NC1CN(C(=O)C[N@@H+](C)CCC)C1 ZINC001498327639 920551278 /nfs/dbraw/zinc/55/12/78/920551278.db2.gz OOXJGWKLBTZUDY-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C[NH+](C)C1CCC1 ZINC001498314234 920553738 /nfs/dbraw/zinc/55/37/38/920553738.db2.gz QTJXEQAVMPGXTA-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C[NH+](C)C1CCC1 ZINC001498314234 920553741 /nfs/dbraw/zinc/55/37/41/920553741.db2.gz QTJXEQAVMPGXTA-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[N@H+](C)C1CCC1 ZINC001498314234 920553749 /nfs/dbraw/zinc/55/37/49/920553749.db2.gz QTJXEQAVMPGXTA-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[NH+](C)CC(=O)N(C)C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001498314234 920553755 /nfs/dbraw/zinc/55/37/55/920553755.db2.gz QTJXEQAVMPGXTA-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001498365495 920565244 /nfs/dbraw/zinc/56/52/44/920565244.db2.gz CEYKPASMGBXZOC-WOPDTQHZSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001498365495 920565259 /nfs/dbraw/zinc/56/52/59/920565259.db2.gz CEYKPASMGBXZOC-WOPDTQHZSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001498365495 920565276 /nfs/dbraw/zinc/56/52/76/920565276.db2.gz CEYKPASMGBXZOC-WOPDTQHZSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001498365495 920565279 /nfs/dbraw/zinc/56/52/79/920565279.db2.gz CEYKPASMGBXZOC-WOPDTQHZSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001498744447 920632472 /nfs/dbraw/zinc/63/24/72/920632472.db2.gz DOHRZJAYXVFAAN-NWDGAFQWSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001498744447 920632479 /nfs/dbraw/zinc/63/24/79/920632479.db2.gz DOHRZJAYXVFAAN-NWDGAFQWSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001499448930 920747392 /nfs/dbraw/zinc/74/73/92/920747392.db2.gz XMAZICCKNPBRJD-GHMZBOCLSA-N 2 1 282.388 -0.560 20 0 CBADMP CC[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001499448932 920749412 /nfs/dbraw/zinc/74/94/12/920749412.db2.gz XMAZICCKNPBRJD-QWRGUYRKSA-N 2 1 282.388 -0.560 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001499420444 920749552 /nfs/dbraw/zinc/74/95/52/920749552.db2.gz FBRDEHYRYJZWEW-NEPJUHHUSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001499461075 920752204 /nfs/dbraw/zinc/75/22/04/920752204.db2.gz CSZYRZRGJODFNE-TXEJJXNPSA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001499619339 920755130 /nfs/dbraw/zinc/75/51/30/920755130.db2.gz LDEPYNLRYTZESE-OAHLLOKOSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001499619339 920755138 /nfs/dbraw/zinc/75/51/38/920755138.db2.gz LDEPYNLRYTZESE-OAHLLOKOSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001499619339 920755152 /nfs/dbraw/zinc/75/51/52/920755152.db2.gz LDEPYNLRYTZESE-OAHLLOKOSA-N 2 1 296.415 -0.264 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001500256990 920822154 /nfs/dbraw/zinc/82/21/54/920822154.db2.gz HXMCYQUHPQSCEE-AWEZNQCLSA-N 2 1 284.404 -0.345 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001500256990 920822159 /nfs/dbraw/zinc/82/21/59/920822159.db2.gz HXMCYQUHPQSCEE-AWEZNQCLSA-N 2 1 284.404 -0.345 20 0 CBADMP CN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001500258731 920823865 /nfs/dbraw/zinc/82/38/65/920823865.db2.gz WNRDUYPKVSGEGP-SWLSCSKDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCCO)CCOCC2)C1 ZINC001500600632 920841814 /nfs/dbraw/zinc/84/18/14/920841814.db2.gz KTLXUERNBWWFQC-CYBMUJFWSA-N 2 1 299.415 -0.425 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001500721561 920868679 /nfs/dbraw/zinc/86/86/79/920868679.db2.gz AJVLGGVSEMMDAW-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCC(CC(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)CC1 ZINC001500735862 920870395 /nfs/dbraw/zinc/87/03/95/920870395.db2.gz ILLOPQXTDKWCHN-HNNXBMFYSA-N 2 1 299.415 -0.736 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001500765690 920878336 /nfs/dbraw/zinc/87/83/36/920878336.db2.gz FTDDMXFIJHSUHU-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001500765690 920878351 /nfs/dbraw/zinc/87/83/51/920878351.db2.gz FTDDMXFIJHSUHU-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001500765690 920878366 /nfs/dbraw/zinc/87/83/66/920878366.db2.gz FTDDMXFIJHSUHU-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001501051088 920941019 /nfs/dbraw/zinc/94/10/19/920941019.db2.gz RHAZTOSBRLUQJQ-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001501084377 920945193 /nfs/dbraw/zinc/94/51/93/920945193.db2.gz UTIZQMUUFGZJMA-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP COCC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001501363658 920978834 /nfs/dbraw/zinc/97/88/34/920978834.db2.gz BXDCJDGVPLWUPQ-HNNXBMFYSA-N 2 1 299.415 -0.328 20 0 CBADMP COCC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001501363658 920978847 /nfs/dbraw/zinc/97/88/47/920978847.db2.gz BXDCJDGVPLWUPQ-HNNXBMFYSA-N 2 1 299.415 -0.328 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]CCC2CC2)C1 ZINC001501445872 921012438 /nfs/dbraw/zinc/01/24/38/921012438.db2.gz XQECDUABPUQSMK-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]CCC2CC2)C1 ZINC001501445872 921012451 /nfs/dbraw/zinc/01/24/51/921012451.db2.gz XQECDUABPUQSMK-AWEZNQCLSA-N 2 1 299.415 -0.472 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001507406028 921820043 /nfs/dbraw/zinc/82/00/43/921820043.db2.gz BTJGSKMQCJQKRS-VXGBXAGGSA-N 2 1 293.371 -0.449 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001507419630 921823871 /nfs/dbraw/zinc/82/38/71/921823871.db2.gz WBANAHAGETUBRL-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001514838203 922221387 /nfs/dbraw/zinc/22/13/87/922221387.db2.gz HWXSZYYCIYKNKY-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001514838207 922222494 /nfs/dbraw/zinc/22/24/94/922222494.db2.gz HWXSZYYCIYKNKY-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001515317280 922230193 /nfs/dbraw/zinc/23/01/93/922230193.db2.gz AHVBAAYMGCNAFB-UTUOFQBUSA-N 2 1 255.362 -0.219 20 0 CBADMP C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)[C@@H]1C[N@@H+](C)CCN1C ZINC001515357025 922230407 /nfs/dbraw/zinc/23/04/07/922230407.db2.gz FKGGQJCSDHYVGN-MBNYWOFBSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)[C@@H]1C[N@@H+](C)CCN1C ZINC001515357029 922231140 /nfs/dbraw/zinc/23/11/40/922231140.db2.gz FKGGQJCSDHYVGN-SGMGOOAPSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)[C@H]1C[N@@H+](C)CCN1C ZINC001515357028 922232138 /nfs/dbraw/zinc/23/21/38/922232138.db2.gz FKGGQJCSDHYVGN-OUCADQQQSA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@@H](NC(=O)CC1CC([NH3+])C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001515359813 922233385 /nfs/dbraw/zinc/23/33/85/922233385.db2.gz QUDYWKIRDNIPGO-IKWCTNDRSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@@H](NC(=O)CC1CC([NH3+])C1)[C@H]1C[N@@H+](C)CCN1C ZINC001515359813 922233360 /nfs/dbraw/zinc/23/33/60/922233360.db2.gz QUDYWKIRDNIPGO-IKWCTNDRSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@@H](NC(=O)CC1CC([NH3+])C1)[C@H]1CN(C)CCN1C ZINC001515359813 922233368 /nfs/dbraw/zinc/23/33/68/922233368.db2.gz QUDYWKIRDNIPGO-IKWCTNDRSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@@H](NC(=O)CC1CC([NH3+])C1)[C@H]1CN(C)CC[N@H+]1C ZINC001515359813 922233396 /nfs/dbraw/zinc/23/33/96/922233396.db2.gz QUDYWKIRDNIPGO-IKWCTNDRSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C)C[NH+](C)C ZINC001520191653 922300489 /nfs/dbraw/zinc/30/04/89/922300489.db2.gz NMRKBDJNNXAMRH-AGIUHOORSA-N 2 1 268.405 -0.311 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@H]2C[NH+]3CCN2C[C@H]3C)CC[N@H+]1C ZINC001520694928 922317680 /nfs/dbraw/zinc/31/76/80/922317680.db2.gz LNVDCQCCKLVTMP-FDYHWXHSSA-N 2 1 266.389 -0.417 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC[NH+]1C ZINC001520694928 922317692 /nfs/dbraw/zinc/31/76/92/922317692.db2.gz LNVDCQCCKLVTMP-FDYHWXHSSA-N 2 1 266.389 -0.417 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC[NH+]1C ZINC001520694928 922317699 /nfs/dbraw/zinc/31/76/99/922317699.db2.gz LNVDCQCCKLVTMP-FDYHWXHSSA-N 2 1 266.389 -0.417 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001521159281 922335330 /nfs/dbraw/zinc/33/53/30/922335330.db2.gz ZPXNJQLIIONCTD-UTUOFQBUSA-N 2 1 254.378 -0.511 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001521464917 922356440 /nfs/dbraw/zinc/35/64/40/922356440.db2.gz XKMJAZLBBODCMR-JQWIXIFHSA-N 2 1 252.318 -0.579 20 0 CBADMP C[C@@H]1CC[N@@H+](CCNC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001521496250 922362323 /nfs/dbraw/zinc/36/23/23/922362323.db2.gz RPSMPHBVLPYREN-OCCSQVGLSA-N 2 1 269.389 -0.051 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001521899197 922385592 /nfs/dbraw/zinc/38/55/92/922385592.db2.gz UBDKJJJIAREGDI-XQQFMLRXSA-N 2 1 266.389 -0.415 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001521899197 922385608 /nfs/dbraw/zinc/38/56/08/922385608.db2.gz UBDKJJJIAREGDI-XQQFMLRXSA-N 2 1 266.389 -0.415 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001521899197 922385621 /nfs/dbraw/zinc/38/56/21/922385621.db2.gz UBDKJJJIAREGDI-XQQFMLRXSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)CC[N@H+]1C ZINC001522857762 922539670 /nfs/dbraw/zinc/53/96/70/922539670.db2.gz NQURUGPCUTYLLR-NQBHXWOUSA-N 2 1 255.362 -0.300 20 0 CBADMP Cc1ccc(NCCNC(=O)COCC[NH3+])[nH+]c1 ZINC001523211826 922576295 /nfs/dbraw/zinc/57/62/95/922576295.db2.gz XXJIFCRMXLHANI-UHFFFAOYSA-N 2 1 252.318 -0.107 20 0 CBADMP CN1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[N@H+](C)CC1 ZINC001523482270 922596552 /nfs/dbraw/zinc/59/65/52/922596552.db2.gz MGRLCYDCNRXBNS-CYBMUJFWSA-N 2 1 272.368 -0.606 20 0 CBADMP CN1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[N@@H+](C)CC1 ZINC001523482270 922596563 /nfs/dbraw/zinc/59/65/63/922596563.db2.gz MGRLCYDCNRXBNS-CYBMUJFWSA-N 2 1 272.368 -0.606 20 0 CBADMP CN1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC[N@@H+](C)CC1 ZINC001523482606 922597219 /nfs/dbraw/zinc/59/72/19/922597219.db2.gz SCDJRAICODQGSU-HAQNSBGRSA-N 2 1 254.378 -0.571 20 0 CBADMP C[N@@H+]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)[C@H](CO)C1 ZINC001524029236 922614674 /nfs/dbraw/zinc/61/46/74/922614674.db2.gz KLSYGQSUPCZOCY-LXVYMNJGSA-N 2 1 267.373 -0.347 20 0 CBADMP C[N@H+]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)[C@H](CO)C1 ZINC001524029236 922614683 /nfs/dbraw/zinc/61/46/83/922614683.db2.gz KLSYGQSUPCZOCY-LXVYMNJGSA-N 2 1 267.373 -0.347 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H](CO)C1 ZINC001524029559 922616100 /nfs/dbraw/zinc/61/61/00/922616100.db2.gz PESLBHZFCWTKTN-GRYCIOLGSA-N 2 1 255.362 -0.361 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H](CO)C1 ZINC001524029559 922616093 /nfs/dbraw/zinc/61/60/93/922616093.db2.gz PESLBHZFCWTKTN-GRYCIOLGSA-N 2 1 255.362 -0.361 20 0 CBADMP CN(C(=O)c1csc(C[NH3+])n1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001524128543 922620370 /nfs/dbraw/zinc/62/03/70/922620370.db2.gz FSQIIHWJLGFOLB-MTBHXBHISA-N 2 1 252.343 -0.108 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001527708788 922765002 /nfs/dbraw/zinc/76/50/02/922765002.db2.gz ZWMGRCRULAVZLI-QWHCGFSZSA-N 2 1 268.405 -0.169 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001527708788 922765011 /nfs/dbraw/zinc/76/50/11/922765011.db2.gz ZWMGRCRULAVZLI-QWHCGFSZSA-N 2 1 268.405 -0.169 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001527708788 922765026 /nfs/dbraw/zinc/76/50/26/922765026.db2.gz ZWMGRCRULAVZLI-QWHCGFSZSA-N 2 1 268.405 -0.169 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)C[NH+]1CCCC1 ZINC001528176020 922809671 /nfs/dbraw/zinc/80/96/71/922809671.db2.gz CLVCNBRRJSGPJG-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001528176891 922813583 /nfs/dbraw/zinc/81/35/83/922813583.db2.gz ZUZKDJUCAIVZEL-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP CCN1CC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001543383393 923290478 /nfs/dbraw/zinc/29/04/78/923290478.db2.gz KIDQNWHOWKKPDW-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548553341 923374814 /nfs/dbraw/zinc/37/48/14/923374814.db2.gz SIHFSRMLNGJFFB-SCRDCRAPSA-N 2 1 267.373 -0.177 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548549929 923377492 /nfs/dbraw/zinc/37/74/92/923377492.db2.gz CGMUWUNTBBXEOB-SCRDCRAPSA-N 2 1 267.373 -0.177 20 0 CBADMP O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC001548557591 923379870 /nfs/dbraw/zinc/37/98/70/923379870.db2.gz XNHBRWAFLXZRFY-BXKDBHETSA-N 2 1 277.315 -0.444 20 0 CBADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C[C@@H](O)C[NH3+] ZINC001548557633 923380809 /nfs/dbraw/zinc/38/08/09/923380809.db2.gz JEPYSZAGTSKVDC-DGCLKSJQSA-N 2 1 293.367 -0.122 20 0 CBADMP CN1CC[NH2+]C[C@H]1C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC001548559443 923383551 /nfs/dbraw/zinc/38/35/51/923383551.db2.gz XZQTUISQGDPAKF-KBPBESRZSA-N 2 1 289.383 -0.542 20 0 CBADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC001548561359 923386763 /nfs/dbraw/zinc/38/67/63/923386763.db2.gz LPOOSWMTJUOLCR-XBFCOCLRSA-N 2 1 292.383 -0.229 20 0 CBADMP COc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001548568653 923390326 /nfs/dbraw/zinc/39/03/26/923390326.db2.gz IVMWLNMSBFCRFK-GWCFXTLKSA-N 2 1 291.351 -0.058 20 0 CBADMP CC1(C)CN(C(=O)[C@@H]2CSC[NH2+]2)CC2(C[NH2+]C2)O1 ZINC001548579889 923402477 /nfs/dbraw/zinc/40/24/77/923402477.db2.gz UFPUVPWAMHOYMR-VIFPVBQESA-N 2 1 271.386 -0.372 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CCCCC1 ZINC001548625879 923409667 /nfs/dbraw/zinc/40/96/67/923409667.db2.gz RJDUICWMPUWRFQ-UONOGXRCSA-N 2 1 280.416 -0.023 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC001548630672 923414741 /nfs/dbraw/zinc/41/47/41/923414741.db2.gz JZEVPQCFOVIBFF-VNHYZAJKSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001548630672 923414748 /nfs/dbraw/zinc/41/47/48/923414748.db2.gz JZEVPQCFOVIBFF-VNHYZAJKSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001548630672 923414753 /nfs/dbraw/zinc/41/47/53/923414753.db2.gz JZEVPQCFOVIBFF-VNHYZAJKSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC001548643103 923422408 /nfs/dbraw/zinc/42/24/08/923422408.db2.gz AJYJOODQNXZRFI-SNPRPXQTSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001548643103 923422421 /nfs/dbraw/zinc/42/24/21/923422421.db2.gz AJYJOODQNXZRFI-SNPRPXQTSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001548643103 923422433 /nfs/dbraw/zinc/42/24/33/923422433.db2.gz AJYJOODQNXZRFI-SNPRPXQTSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[C@H]1C[NH+](C)C ZINC001548638127 923423656 /nfs/dbraw/zinc/42/36/56/923423656.db2.gz IASUYXWSIFTDNQ-RDBSUJKOSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001548645009 923427858 /nfs/dbraw/zinc/42/78/58/923427858.db2.gz WXZLFTWFTXQPKL-GXTWGEPZSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CCSCC1 ZINC001548646091 923428818 /nfs/dbraw/zinc/42/88/18/923428818.db2.gz KVRAKYABFUVKCZ-STQMWFEESA-N 2 1 298.456 -0.460 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CCSCC1 ZINC001548646091 923428830 /nfs/dbraw/zinc/42/88/30/923428830.db2.gz KVRAKYABFUVKCZ-STQMWFEESA-N 2 1 298.456 -0.460 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001548653218 923433449 /nfs/dbraw/zinc/43/34/49/923433449.db2.gz BWIHLKJXONHWLV-AAVRWANBSA-N 2 1 280.416 -0.026 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C ZINC001548667433 923436396 /nfs/dbraw/zinc/43/63/96/923436396.db2.gz WBJLBEOHBVAIDB-UXOAXIEHSA-N 2 1 292.427 -0.026 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001548667433 923436406 /nfs/dbraw/zinc/43/64/06/923436406.db2.gz WBJLBEOHBVAIDB-UXOAXIEHSA-N 2 1 292.427 -0.026 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548667433 923436415 /nfs/dbraw/zinc/43/64/15/923436415.db2.gz WBJLBEOHBVAIDB-UXOAXIEHSA-N 2 1 292.427 -0.026 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001548707941 923465903 /nfs/dbraw/zinc/46/59/03/923465903.db2.gz FXRDHICNIMGBBZ-IJEWVQPXSA-N 2 1 292.427 -0.071 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001548707941 923465914 /nfs/dbraw/zinc/46/59/14/923465914.db2.gz FXRDHICNIMGBBZ-IJEWVQPXSA-N 2 1 292.427 -0.071 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001548707941 923465921 /nfs/dbraw/zinc/46/59/21/923465921.db2.gz FXRDHICNIMGBBZ-IJEWVQPXSA-N 2 1 292.427 -0.071 20 0 CBADMP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548711716 923470427 /nfs/dbraw/zinc/47/04/27/923470427.db2.gz VFCGPVPZHXYTBV-ZOBORPQBSA-N 2 1 280.416 -0.074 20 0 CBADMP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548711711 923472329 /nfs/dbraw/zinc/47/23/29/923472329.db2.gz VFCGPVPZHXYTBV-XJFOESAGSA-N 2 1 280.416 -0.074 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CCn2cncc2C1 ZINC001548723973 923475403 /nfs/dbraw/zinc/47/54/03/923475403.db2.gz FLPZZPFMSOMQSJ-MBNYWOFBSA-N 2 1 289.383 -0.298 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)C1 ZINC001548745573 923492030 /nfs/dbraw/zinc/49/20/30/923492030.db2.gz DYPKJJZZOIJUKR-GXTWGEPZSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)C1 ZINC001548745573 923492037 /nfs/dbraw/zinc/49/20/37/923492037.db2.gz DYPKJJZZOIJUKR-GXTWGEPZSA-N 2 1 285.388 -0.768 20 0 CBADMP Cn1nccc1[C@@H]1[C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)CC(=O)N1C ZINC001549043930 923531187 /nfs/dbraw/zinc/53/11/87/923531187.db2.gz RFNIVFCLQHDAPW-SUNKGSAMSA-N 2 1 277.372 -0.109 20 0 CBADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001549044058 923531337 /nfs/dbraw/zinc/53/13/37/923531337.db2.gz XAKATJFBLAUGBG-UONOGXRCSA-N 3 1 280.416 -0.260 20 0 CBADMP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC001549044058 923531346 /nfs/dbraw/zinc/53/13/46/923531346.db2.gz XAKATJFBLAUGBG-UONOGXRCSA-N 2 1 280.416 -0.260 20 0 CBADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC001549044058 923531353 /nfs/dbraw/zinc/53/13/53/923531353.db2.gz XAKATJFBLAUGBG-UONOGXRCSA-N 2 1 280.416 -0.260 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC001549045400 923540043 /nfs/dbraw/zinc/54/00/43/923540043.db2.gz VWZWNKIBYXHWDD-NWDGAFQWSA-N 2 1 293.371 -0.729 20 0 CBADMP NC(=O)C[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001549045492 923540725 /nfs/dbraw/zinc/54/07/25/923540725.db2.gz ALQUXZLHODKZSG-PHDIDXHHSA-N 2 1 283.357 -0.900 20 0 CBADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC001549051827 923549531 /nfs/dbraw/zinc/54/95/31/923549531.db2.gz VFXJGKHCYCTDCH-LOWVWBTDSA-N 2 1 253.346 -0.282 20 0 CBADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC001549114836 923557431 /nfs/dbraw/zinc/55/74/31/923557431.db2.gz BYXMLPZBSQEZTE-HIFRSBDPSA-N 3 1 280.416 -0.131 20 0 CBADMP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](CCC(=O)N1CCNCC1)C2 ZINC001549114836 923557441 /nfs/dbraw/zinc/55/74/41/923557441.db2.gz BYXMLPZBSQEZTE-HIFRSBDPSA-N 2 1 280.416 -0.131 20 0 CBADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](CCC(=O)N1CCNCC1)C2 ZINC001549114836 923557451 /nfs/dbraw/zinc/55/74/51/923557451.db2.gz BYXMLPZBSQEZTE-HIFRSBDPSA-N 2 1 280.416 -0.131 20 0 CBADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC001549117099 923558563 /nfs/dbraw/zinc/55/85/63/923558563.db2.gz PZQILGWXMNKDEG-ZIAGYGMSSA-N 3 1 252.406 -0.048 20 0 CBADMP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@@H]1COCC[NH2+]1)C2 ZINC001549128813 923559226 /nfs/dbraw/zinc/55/92/26/923559226.db2.gz ORMZMZYCGHQJRJ-MDZLAQPJSA-N 2 1 253.346 -0.438 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549128245 923561535 /nfs/dbraw/zinc/56/15/35/923561535.db2.gz KPWKPAHWQWVSSL-KZVDOYCCSA-N 2 1 267.373 -0.049 20 0 CBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC001549295120 923584822 /nfs/dbraw/zinc/58/48/22/923584822.db2.gz FCAQHQUVJULAHZ-FVCCEPFGSA-N 2 1 267.373 -0.158 20 0 CBADMP [NH3+]CC(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001549299726 923587774 /nfs/dbraw/zinc/58/77/74/923587774.db2.gz CYUAASNAEKCBEL-WDEREUQCSA-N 2 1 253.346 -0.295 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC001549615783 923618864 /nfs/dbraw/zinc/61/88/64/923618864.db2.gz VMNWADKZRNYOSA-OLZOCXBDSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[N@H+]2C[C@@H](O)C[C@H]2C1 ZINC001549614154 923620644 /nfs/dbraw/zinc/62/06/44/923620644.db2.gz FYUONHYHKPMQRB-RWMBFGLXSA-N 2 1 294.399 -0.269 20 0 CBADMP O=C(NCc1cnn2c1C[NH2+]CC2)[C@H]1CCC[NH2+]CC1 ZINC001549722974 923630824 /nfs/dbraw/zinc/63/08/24/923630824.db2.gz ZGJIJGLDDFUIEP-NSHDSACASA-N 2 1 277.372 -0.008 20 0 CBADMP O=C(Nc1cn[nH]c1[C@@H]1CC[NH2+]C1)[C@H]1C[NH2+]CCOC1 ZINC001549733079 923633770 /nfs/dbraw/zinc/63/37/70/923633770.db2.gz COCYMBUNZMXTEM-ZJUUUORDSA-N 2 1 279.344 -0.339 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549741497 923637875 /nfs/dbraw/zinc/63/78/75/923637875.db2.gz ZMQMFJSHKQBOBR-VXGBXAGGSA-N 2 1 288.355 -0.122 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001550059638 923658671 /nfs/dbraw/zinc/65/86/71/923658671.db2.gz FKPWKVISNZXZTE-NWDGAFQWSA-N 2 1 264.329 -0.219 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)CC[N@H+]1C ZINC001550096571 923677706 /nfs/dbraw/zinc/67/77/06/923677706.db2.gz LISYPGKNFMCJFW-KGYLQXTDSA-N 2 1 292.387 -0.150 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550094590 923678509 /nfs/dbraw/zinc/67/85/09/923678509.db2.gz RZZKCIXXPLRJIL-LBPRGKRZSA-N 2 1 280.376 -0.150 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001550103596 923683586 /nfs/dbraw/zinc/68/35/86/923683586.db2.gz DDSWEADXCBVWBQ-RNJOBUHISA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001550103596 923683596 /nfs/dbraw/zinc/68/35/96/923683596.db2.gz DDSWEADXCBVWBQ-RNJOBUHISA-N 2 1 267.373 -0.084 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)C2)CC1 ZINC001550117102 923689140 /nfs/dbraw/zinc/68/91/40/923689140.db2.gz UZFLPTXNJQRROJ-IJEWVQPXSA-N 2 1 292.427 -0.166 20 0 CBADMP CN1CC[NH+]([C@H]2CCN(C(=O)C3CC([NH3+])C3)C2)CC1 ZINC001550117126 923689170 /nfs/dbraw/zinc/68/91/70/923689170.db2.gz VYSIFKQVSUNYAF-BPCQOVAHSA-N 2 1 266.389 -0.428 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)CC3(C[NH3+])CC3)C2)CC1 ZINC001550116995 923690621 /nfs/dbraw/zinc/69/06/21/923690621.db2.gz SVCHHKSNMWRHBL-CYBMUJFWSA-N 2 1 280.416 -0.036 20 0 CBADMP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1)[C@H](C)[NH3+] ZINC001550116727 923690721 /nfs/dbraw/zinc/69/07/21/923690721.db2.gz RDFKILCSQNJPMO-FRRDWIJNSA-N 2 1 268.405 -0.182 20 0 CBADMP C[C@H](C(=O)NC12CC(C[NH3+])(C1)C2)N1CC[NH+](C)CC1 ZINC001550118270 923690800 /nfs/dbraw/zinc/69/08/00/923690800.db2.gz AKCDGTIHWIVRMW-LMWSTFAQSA-N 2 1 266.389 -0.380 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001550116726 923692263 /nfs/dbraw/zinc/69/22/63/923692263.db2.gz RDFKILCSQNJPMO-AVGNSLFASA-N 2 1 268.405 -0.182 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cn(CCC[NH3+])nn1 ZINC001550122408 923695043 /nfs/dbraw/zinc/69/50/43/923695043.db2.gz GHHINTHBZNZVKA-CHWSQXEVSA-N 2 1 292.387 -0.064 20 0 CBADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001550121845 923696722 /nfs/dbraw/zinc/69/67/22/923696722.db2.gz BDWAESAISJMJGY-YNEHKIRRSA-N 2 1 294.399 -0.450 20 0 CBADMP N[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@@H]1[NH3+] ZINC001550268619 923713107 /nfs/dbraw/zinc/71/31/07/923713107.db2.gz YRNVWKBHVSJKPA-YVECIDJPSA-N 2 1 281.404 -0.317 20 0 CBADMP N[C@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@H]1[NH3+] ZINC001550268619 923713126 /nfs/dbraw/zinc/71/31/26/923713126.db2.gz YRNVWKBHVSJKPA-YVECIDJPSA-N 2 1 281.404 -0.317 20 0 CBADMP N[C@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@H]1[NH3+] ZINC001550268619 923713136 /nfs/dbraw/zinc/71/31/36/923713136.db2.gz YRNVWKBHVSJKPA-YVECIDJPSA-N 2 1 281.404 -0.317 20 0 CBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CC[NH2+]C[C@H](O)C1 ZINC001550738820 923744122 /nfs/dbraw/zinc/74/41/22/923744122.db2.gz CSOMUCOZJDIMOT-BFHYXJOUSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]2)[C@H](C2CC[NH2+]CC2)N1 ZINC001550915076 923755635 /nfs/dbraw/zinc/75/56/35/923755635.db2.gz ZENUJLAHBXIMNE-IPYPFGDCSA-N 3 1 280.416 -0.025 20 0 CBADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001551463413 923795407 /nfs/dbraw/zinc/79/54/07/923795407.db2.gz HMSOKFUWKCEBQX-VWYCJHECSA-N 2 1 277.328 -0.556 20 0 CBADMP 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 923803878 /nfs/dbraw/zinc/80/38/78/923803878.db2.gz MPLVUXAXVFEYGO-HXAKPFHISA-N 2 1 294.399 -0.427 20 0 CBADMP CC1(C)CN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)CC[N@H+]1CCO ZINC001551580168 923803929 /nfs/dbraw/zinc/80/39/29/923803929.db2.gz JZGZPPQEVODJHS-AVERBVTBSA-N 2 1 296.415 -0.036 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)CC1 ZINC001551585610 923805187 /nfs/dbraw/zinc/80/51/87/923805187.db2.gz ZPKCIHZYGCINCO-WDBLDGLGSA-N 2 1 282.388 -0.426 20 0 CBADMP C[C@@H]1C[NH+](CCN(C)C(=O)[C@H]2C[NH2+]CCOC2)C[C@@H](C)O1 ZINC001552089398 923828379 /nfs/dbraw/zinc/82/83/79/923828379.db2.gz MOVUGOMXPQMERF-MCIONIFRSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552198703 923852950 /nfs/dbraw/zinc/85/29/50/923852950.db2.gz YEUTXTKKTLCCIO-BZPMIXESSA-N 2 1 267.373 -0.177 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552199739 923855242 /nfs/dbraw/zinc/85/52/42/923855242.db2.gz HVHSCWDJLLEJJZ-MBNYWOFBSA-N 2 1 267.373 -0.320 20 0 CBADMP O=C(N1CC[N@H+]2CCC[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552200248 923856566 /nfs/dbraw/zinc/85/65/66/923856566.db2.gz FBDISUIALRKLOO-BZPMIXESSA-N 2 1 265.357 -0.471 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552199716 923856700 /nfs/dbraw/zinc/85/67/00/923856700.db2.gz GQMJODHPDIPOPW-WZRBSPASSA-N 2 1 253.346 -0.710 20 0 CBADMP O=C(N1CC[NH+](C2CCC2)CC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201450 923859821 /nfs/dbraw/zinc/85/98/21/923859821.db2.gz PXZNWIANZDIWMT-DOMZBBRYSA-N 2 1 279.384 -0.081 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552203183 923865751 /nfs/dbraw/zinc/86/57/51/923865751.db2.gz DMWFHZIMPYELQQ-DZGCQCFKSA-N 2 1 297.399 -0.597 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552216272 923868231 /nfs/dbraw/zinc/86/82/31/923868231.db2.gz NGDDFSPOMQOYFV-OUCADQQQSA-N 2 1 267.373 -0.177 20 0 CBADMP C[N@@H+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1(C)C ZINC001552280349 923879167 /nfs/dbraw/zinc/87/91/67/923879167.db2.gz AOOFXXPPZIXGMG-RISCZKNCSA-N 2 1 267.373 -0.225 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1(C)C ZINC001552280349 923879174 /nfs/dbraw/zinc/87/91/74/923879174.db2.gz AOOFXXPPZIXGMG-RISCZKNCSA-N 2 1 267.373 -0.225 20 0 CBADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)CC1 ZINC001552291481 923881552 /nfs/dbraw/zinc/88/15/52/923881552.db2.gz AHCVMEFQJYKZOF-XQQFMLRXSA-N 2 1 295.431 -0.213 20 0 CBADMP CCO[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1C[NH3+] ZINC001552414446 923895262 /nfs/dbraw/zinc/89/52/62/923895262.db2.gz ZTXMATJMTOEBOB-YNEHKIRRSA-N 3 1 269.389 -0.197 20 0 CBADMP CCO[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1C[NH3+] ZINC001552414446 923895272 /nfs/dbraw/zinc/89/52/72/923895272.db2.gz ZTXMATJMTOEBOB-YNEHKIRRSA-N 2 1 269.389 -0.197 20 0 CBADMP [NH3+]C[C@H]1CN(C(=O)c2cnc(C3CC[NH2+]CC3)[nH]2)CCO1 ZINC001552694403 923916786 /nfs/dbraw/zinc/91/67/86/923916786.db2.gz UXFAZCPTLPARNJ-NSHDSACASA-N 2 1 293.371 -0.324 20 0 CBADMP N[C@H]1CN(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C[C@H]1[NH3+] ZINC001552961819 923928506 /nfs/dbraw/zinc/92/85/06/923928506.db2.gz WCTOITUXDACUPQ-MCIONIFRSA-N 2 1 295.431 -0.212 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CCC[NH2+]C3)C2)CC1 ZINC001552954578 923928578 /nfs/dbraw/zinc/92/85/78/923928578.db2.gz LHMKKAUWMNXNOC-UONOGXRCSA-N 2 1 295.431 -0.230 20 0 CBADMP N[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1n1ccnn1 ZINC001552973408 923929576 /nfs/dbraw/zinc/92/95/76/923929576.db2.gz DJYFPDSRUXFHJS-YUSLTOFOSA-N 2 1 276.388 -0.007 20 0 CBADMP N[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1n1ccnn1 ZINC001552973408 923929585 /nfs/dbraw/zinc/92/95/85/923929585.db2.gz DJYFPDSRUXFHJS-YUSLTOFOSA-N 2 1 276.388 -0.007 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553353463 923956908 /nfs/dbraw/zinc/95/69/08/923956908.db2.gz DTOHFVUKKHDTBJ-SCRDCRAPSA-N 3 1 268.405 -0.373 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@]12C[NH2+]C[C@H]1CN(C)CC2 ZINC001553353463 923956922 /nfs/dbraw/zinc/95/69/22/923956922.db2.gz DTOHFVUKKHDTBJ-SCRDCRAPSA-N 2 1 268.405 -0.373 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[NH2+]C[C@@H]2C1 ZINC001553354475 923957192 /nfs/dbraw/zinc/95/71/92/923957192.db2.gz PSQICVDTOMMYKP-TVRKVIKTSA-N 3 1 292.427 -0.073 20 0 CBADMP CN1CC[C@@]2(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[NH2+]C[C@@H]2C1 ZINC001553354475 923957203 /nfs/dbraw/zinc/95/72/03/923957203.db2.gz PSQICVDTOMMYKP-TVRKVIKTSA-N 2 1 292.427 -0.073 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@H]3CC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553355163 923957928 /nfs/dbraw/zinc/95/79/28/923957928.db2.gz UHPYSPGMKIGAQP-MDZLAQPJSA-N 3 1 252.362 -0.994 20 0 CBADMP CN1CC[C@]2(C(=O)N[C@H]3CC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553355163 923957937 /nfs/dbraw/zinc/95/79/37/923957937.db2.gz UHPYSPGMKIGAQP-MDZLAQPJSA-N 2 1 252.362 -0.994 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@H](C[NH3+])C3CC3)C[NH2+]C[C@@H]2C1 ZINC001553355601 923957959 /nfs/dbraw/zinc/95/79/59/923957959.db2.gz BOFABLYHDGOHCC-BZPMIXESSA-N 3 1 266.389 -0.619 20 0 CBADMP CN1CC[C@]2(C(=O)N[C@H](C[NH3+])C3CC3)C[NH2+]C[C@@H]2C1 ZINC001553355601 923957968 /nfs/dbraw/zinc/95/79/68/923957968.db2.gz BOFABLYHDGOHCC-BZPMIXESSA-N 2 1 266.389 -0.619 20 0 CBADMP C[NH2+]CC1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)CC1 ZINC001553355668 923958329 /nfs/dbraw/zinc/95/83/29/923958329.db2.gz AKKJUYYCYUASSI-ZBFHGGJFSA-N 3 1 294.443 -0.014 20 0 CBADMP C[NH2+]CC1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)CC1 ZINC001553355668 923958336 /nfs/dbraw/zinc/95/83/36/923958336.db2.gz AKKJUYYCYUASSI-ZBFHGGJFSA-N 3 1 294.443 -0.014 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553357122 923960899 /nfs/dbraw/zinc/96/08/99/923960899.db2.gz VVCXXTFVXVCXTC-DMDPSCGWSA-N 3 1 254.378 -0.619 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)[C@]12C[NH2+]C[C@@H]1CN(C)CC2 ZINC001553357122 923960907 /nfs/dbraw/zinc/96/09/07/923960907.db2.gz VVCXXTFVXVCXTC-DMDPSCGWSA-N 2 1 254.378 -0.619 20 0 CBADMP C[C@H]1Cn2nc(C(=O)N3CCN(C)C[C@@H]3C[NH3+])cc2C[NH2+]1 ZINC001553357631 923961995 /nfs/dbraw/zinc/96/19/95/923961995.db2.gz FMVFBQIYAOCAJK-JQWIXIFHSA-N 2 1 292.387 -0.910 20 0 CBADMP Cn1cc(CCNC(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)cn1 ZINC001553403428 923975294 /nfs/dbraw/zinc/97/52/94/923975294.db2.gz YWABFGDGPGKTEP-ZFWWWQNUSA-N 2 1 291.399 -0.380 20 0 CBADMP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC001553404614 923977567 /nfs/dbraw/zinc/97/75/67/923977567.db2.gz AWUSKIYRIQOWQR-VOAKCMCISA-N 2 1 265.357 -0.188 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553404283 923978293 /nfs/dbraw/zinc/97/82/93/923978293.db2.gz DEDALIQIZDETBZ-WOPDTQHZSA-N 2 1 253.346 -0.330 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553407835 923979615 /nfs/dbraw/zinc/97/96/15/923979615.db2.gz HYRBDSISYHVODS-MROQNXINSA-N 2 1 267.373 -0.036 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)n1C ZINC001553407806 923981107 /nfs/dbraw/zinc/98/11/07/923981107.db2.gz HLAIVUGARPUCFY-SRVKXCTJSA-N 2 1 293.371 -0.378 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C1 ZINC001553440566 924000890 /nfs/dbraw/zinc/00/08/90/924000890.db2.gz WCELYFATYRVVLJ-FIQHERPVSA-N 2 1 252.362 -0.073 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2C[C@H]3CC[C@@]3([NH3+])C2)C1 ZINC001553459435 924005085 /nfs/dbraw/zinc/00/50/85/924005085.db2.gz VPBWDKGYHVONMR-MBNYWOFBSA-N 2 1 282.388 -0.160 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2C[C@H]3CC[C@]3([NH3+])C2)C1 ZINC001553459430 924005320 /nfs/dbraw/zinc/00/53/20/924005320.db2.gz VPBWDKGYHVONMR-DYEKYZERSA-N 2 1 282.388 -0.160 20 0 CBADMP O=C(NC1CC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553489339 924006560 /nfs/dbraw/zinc/00/65/60/924006560.db2.gz DMNPNBBEZRKCLR-KBPBESRZSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NC1CC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553489342 924007134 /nfs/dbraw/zinc/00/71/34/924007134.db2.gz DMNPNBBEZRKCLR-KGLIPLIRSA-N 2 1 296.415 -0.021 20 0 CBADMP [NH3+][C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)C1CC1 ZINC001553497438 924012324 /nfs/dbraw/zinc/01/23/24/924012324.db2.gz PUUQNUWJTDJNMK-HZSPNIEDSA-N 2 1 296.415 -0.036 20 0 CBADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001553500778 924012778 /nfs/dbraw/zinc/01/27/78/924012778.db2.gz GZSACTSGUOPQSM-ZDEQEGDKSA-N 2 1 284.404 -0.037 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001553499392 924013464 /nfs/dbraw/zinc/01/34/64/924013464.db2.gz BCHDGNFCFQNKSG-RWMBFGLXSA-N 2 1 284.404 -0.036 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553506972 924016329 /nfs/dbraw/zinc/01/63/29/924016329.db2.gz OVUIJVLYETUSMF-AGIUHOORSA-N 2 1 282.388 -0.411 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001553504957 924016898 /nfs/dbraw/zinc/01/68/98/924016898.db2.gz SYFWLYFFYPZGBH-JHJVBQTASA-N 2 1 284.404 -0.165 20 0 CBADMP N[C@H]1CN(C(=O)N2CC[C@@H]3CC[NH2+]C[C@H]3C2)C[C@H]1[NH3+] ZINC001553532032 924024628 /nfs/dbraw/zinc/02/46/28/924024628.db2.gz UQHCAUYDIOBIPE-FIQHERPVSA-N 2 1 267.377 -0.992 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001558359391 924169467 /nfs/dbraw/zinc/16/94/67/924169467.db2.gz ISJFGPZVBRYWHG-LLVKDONJSA-N 2 1 261.341 -0.539 20 0 CBADMP C[NH+](CCO)CCNC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001558359391 924169478 /nfs/dbraw/zinc/16/94/78/924169478.db2.gz ISJFGPZVBRYWHG-LLVKDONJSA-N 2 1 261.341 -0.539 20 0 CBADMP C[NH+](CCO)CCNC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001558359391 924169490 /nfs/dbraw/zinc/16/94/90/924169490.db2.gz ISJFGPZVBRYWHG-LLVKDONJSA-N 2 1 261.341 -0.539 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC([NH2+]C3COC3)C2)CCC1 ZINC001558611148 924187872 /nfs/dbraw/zinc/18/78/72/924187872.db2.gz LKOBROXDUZFPIM-UHFFFAOYSA-N 2 1 253.346 -0.330 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000337413044 214065982 /nfs/dbraw/zinc/06/59/82/214065982.db2.gz ODIBBGVFLHVPFS-DGCLKSJQSA-N 2 1 272.393 -0.308 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000082807211 178309167 /nfs/dbraw/zinc/30/91/67/178309167.db2.gz FBCVWQCSWPIBGT-UHFFFAOYSA-N 2 1 293.371 -0.493 20 0 CBADMP CCC[N@H+]1CCCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000125215869 187174881 /nfs/dbraw/zinc/17/48/81/187174881.db2.gz FAWCGYGHQGSTAH-UHFFFAOYSA-N 2 1 256.350 -0.994 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000376578198 230255185 /nfs/dbraw/zinc/25/51/85/230255185.db2.gz ARZFBMRKCFZOCF-JTQLQIEISA-N 2 1 268.361 -0.806 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000376578199 230255734 /nfs/dbraw/zinc/25/57/34/230255734.db2.gz ARZFBMRKCFZOCF-SNVBAGLBSA-N 2 1 268.361 -0.806 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)CN1CC[NH+](C)CC1 ZINC000337808544 214269731 /nfs/dbraw/zinc/26/97/31/214269731.db2.gz KTROCPHSLZQNCQ-MCIONIFRSA-N 2 1 298.431 -0.508 20 0 CBADMP C[C@H](C(=O)NC[C@H](C)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000338027708 214368102 /nfs/dbraw/zinc/36/81/02/214368102.db2.gz AMYBJQHQCFUVRH-NWDGAFQWSA-N 2 1 256.394 -0.311 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000125557140 187190757 /nfs/dbraw/zinc/19/07/57/187190757.db2.gz SYQZYHQIWPJMFY-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H](C)[NH3+] ZINC000493945264 230341269 /nfs/dbraw/zinc/34/12/69/230341269.db2.gz PJAVIPWYEBUYMM-WOPDTQHZSA-N 2 1 284.404 -0.327 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494700817 230361622 /nfs/dbraw/zinc/36/16/22/230361622.db2.gz XLQNEPJAFJRWAF-OLZOCXBDSA-N 2 1 296.415 -0.025 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@@H+](C)C(C)C ZINC000126308047 187231699 /nfs/dbraw/zinc/23/16/99/187231699.db2.gz GYTBEAICIOZXJE-LBPRGKRZSA-N 2 1 272.393 -0.458 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000126467236 187242417 /nfs/dbraw/zinc/24/24/17/187242417.db2.gz YEUSJNZYOABPKX-WZRBSPASSA-N 2 1 284.404 -0.315 20 0 CBADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000424181000 282255022 /nfs/dbraw/zinc/25/50/22/282255022.db2.gz QJIVFXSCVFRVQS-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CN1CCN(C(=O)CC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000366994591 529823652 /nfs/dbraw/zinc/82/36/52/529823652.db2.gz IMXKCTGVPNBZTO-OKILXGFUSA-N 2 1 280.416 -0.356 20 0 CBADMP CN1CCN(C(=O)CC[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC000366994591 529823654 /nfs/dbraw/zinc/82/36/54/529823654.db2.gz IMXKCTGVPNBZTO-OKILXGFUSA-N 2 1 280.416 -0.356 20 0 CBADMP CN1CCN(C(=O)CC[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC000366994591 529823656 /nfs/dbraw/zinc/82/36/56/529823656.db2.gz IMXKCTGVPNBZTO-OKILXGFUSA-N 2 1 280.416 -0.356 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351515927 219110274 /nfs/dbraw/zinc/11/02/74/219110274.db2.gz DOPWLZDGDZBFGH-UPJWGTAASA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351535224 219118008 /nfs/dbraw/zinc/11/80/08/219118008.db2.gz DPBKMQWNIJGLFZ-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351535227 219118119 /nfs/dbraw/zinc/11/81/19/219118119.db2.gz DPBKMQWNIJGLFZ-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338236990 529924592 /nfs/dbraw/zinc/92/45/92/529924592.db2.gz QJAIQESTWUAEKE-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP CNC(=O)[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338236990 529924594 /nfs/dbraw/zinc/92/45/94/529924594.db2.gz QJAIQESTWUAEKE-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351561546 219126304 /nfs/dbraw/zinc/12/63/04/219126304.db2.gz YYMLBDXWDKHBEI-RTXFEEFZSA-N 2 1 294.399 -0.547 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351557936 219125110 /nfs/dbraw/zinc/12/51/10/219125110.db2.gz QMDKPSTVTPVRNU-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351560321 219127457 /nfs/dbraw/zinc/12/74/57/219127457.db2.gz RKERPFSGBFQHNF-NWDGAFQWSA-N 2 1 282.388 -0.687 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351569027 219129452 /nfs/dbraw/zinc/12/94/52/219129452.db2.gz NJRXRJWRYGYHOY-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)CC1 ZINC000377659241 530067149 /nfs/dbraw/zinc/06/71/49/530067149.db2.gz ZREKQRFCVJPWIF-OLZOCXBDSA-N 2 1 294.399 -0.782 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)CC1 ZINC000377659241 530067150 /nfs/dbraw/zinc/06/71/50/530067150.db2.gz ZREKQRFCVJPWIF-OLZOCXBDSA-N 2 1 294.399 -0.782 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000377542107 530067204 /nfs/dbraw/zinc/06/72/04/530067204.db2.gz HEPRAZOJLPSPKU-GFCCVEGCSA-N 2 1 282.388 -0.652 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000377542107 530067205 /nfs/dbraw/zinc/06/72/05/530067205.db2.gz HEPRAZOJLPSPKU-GFCCVEGCSA-N 2 1 282.388 -0.652 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CCN(C2CC2)C1 ZINC000262067684 282398944 /nfs/dbraw/zinc/39/89/44/282398944.db2.gz JQONSCFGSZNJQX-AWEZNQCLSA-N 2 1 280.416 -0.023 20 0 CBADMP CN(CCC(=O)N1CC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262067684 282398946 /nfs/dbraw/zinc/39/89/46/282398946.db2.gz JQONSCFGSZNJQX-AWEZNQCLSA-N 2 1 280.416 -0.023 20 0 CBADMP CN(CCC(=O)N1CC[NH2+]CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000262067684 282398947 /nfs/dbraw/zinc/39/89/47/282398947.db2.gz JQONSCFGSZNJQX-AWEZNQCLSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[C@@H](C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[NH+](C)C ZINC000339268008 215054261 /nfs/dbraw/zinc/05/42/61/215054261.db2.gz AITDSOAFEXVRDK-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000339266936 215054633 /nfs/dbraw/zinc/05/46/33/215054633.db2.gz ZLHIFKWJCLUHDN-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000339266936 215054635 /nfs/dbraw/zinc/05/46/35/215054635.db2.gz ZLHIFKWJCLUHDN-UHFFFAOYSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000351853185 219226323 /nfs/dbraw/zinc/22/63/23/219226323.db2.gz OERWMTWVSIMAIB-NWDGAFQWSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000351855832 219228041 /nfs/dbraw/zinc/22/80/41/219228041.db2.gz UANYRTXTSOGWMP-WDEREUQCSA-N 2 1 263.407 -0.063 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000339587477 215260354 /nfs/dbraw/zinc/26/03/54/215260354.db2.gz NVFBPHONIRDNAC-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000091300381 180127759 /nfs/dbraw/zinc/12/77/59/180127759.db2.gz WFNRVPCCBONVLC-WCQYABFASA-N 2 1 267.373 -0.035 20 0 CBADMP CN(C)[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000091393953 180145658 /nfs/dbraw/zinc/14/56/58/180145658.db2.gz XKHNAUWUUKDNPJ-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CN(C)[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000091393953 180145659 /nfs/dbraw/zinc/14/56/59/180145659.db2.gz XKHNAUWUUKDNPJ-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000339777393 215336359 /nfs/dbraw/zinc/33/63/59/215336359.db2.gz NPZSFKHHHDSYRX-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000339777393 215336362 /nfs/dbraw/zinc/33/63/62/215336362.db2.gz NPZSFKHHHDSYRX-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000037620037 351399161 /nfs/dbraw/zinc/39/91/61/351399161.db2.gz GMNJDXLBBPUYCH-GFCCVEGCSA-N 2 1 284.404 -0.170 20 0 CBADMP O=C(C[NH2+]CC1CC1)NCCC[NH+]1CCOCC1 ZINC000037612172 351399410 /nfs/dbraw/zinc/39/94/10/351399410.db2.gz FLIUGVQXRGXSGA-UHFFFAOYSA-N 2 1 255.362 -0.176 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[NH2+]CC2CC2)CC1 ZINC000037612931 351400083 /nfs/dbraw/zinc/40/00/83/351400083.db2.gz LFEJELXIVNQIKB-UHFFFAOYSA-N 2 1 282.388 -0.687 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042169807 351428155 /nfs/dbraw/zinc/42/81/55/351428155.db2.gz HPHBLZZEVPIBTC-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042169807 351428157 /nfs/dbraw/zinc/42/81/57/351428157.db2.gz HPHBLZZEVPIBTC-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000040808749 351419270 /nfs/dbraw/zinc/41/92/70/351419270.db2.gz GNTQRJNDLRSESO-CYBMUJFWSA-N 2 1 268.405 -0.260 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)NC1CC1 ZINC000053298990 351526106 /nfs/dbraw/zinc/52/61/06/351526106.db2.gz BDSXZGHJVVBZAW-UHFFFAOYSA-N 2 1 268.361 -0.981 20 0 CBADMP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298904 351526533 /nfs/dbraw/zinc/52/65/33/351526533.db2.gz ZIUUGTDGOHTEBA-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CCOCC1 ZINC000053298679 351526583 /nfs/dbraw/zinc/52/65/83/351526583.db2.gz DUTHZAUDGRVCOC-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP COCCC[N@@H+](CCOC)CCC(=O)N1CC[NH2+]CC1 ZINC000053298884 351526605 /nfs/dbraw/zinc/52/66/05/351526605.db2.gz SKHWDQVQTGBEDO-UHFFFAOYSA-N 2 1 287.404 -0.207 20 0 CBADMP NC(=O)[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298874 351526899 /nfs/dbraw/zinc/52/68/99/351526899.db2.gz ODVLZBHPLZNDSN-LLVKDONJSA-N 2 1 268.361 -0.852 20 0 CBADMP C[NH2+][C@@H](C)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000054076101 351532638 /nfs/dbraw/zinc/53/26/38/351532638.db2.gz XWJLMWCVAGBLKT-QWHCGFSZSA-N 2 1 270.421 -0.018 20 0 CBADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC1CCOCC1 ZINC000052174666 351518221 /nfs/dbraw/zinc/51/82/21/351518221.db2.gz JUYUCBWPAAQVIO-UHFFFAOYSA-N 2 1 255.362 -0.223 20 0 CBADMP C[C@@]1(C(=O)NCCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000062890211 351576988 /nfs/dbraw/zinc/57/69/88/351576988.db2.gz IAOQMXQCCFNVMK-CYBMUJFWSA-N 2 1 255.362 -0.176 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000063179950 351580467 /nfs/dbraw/zinc/58/04/67/351580467.db2.gz NIYQAJDPOPOXMK-LBPRGKRZSA-N 2 1 265.361 -0.330 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000063179686 351580736 /nfs/dbraw/zinc/58/07/36/351580736.db2.gz XJGMQKISMZVZSU-LBPRGKRZSA-N 2 1 282.388 -0.604 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000067572891 351608233 /nfs/dbraw/zinc/60/82/33/351608233.db2.gz XKUPKABPFCPANS-UHFFFAOYSA-N 2 1 284.404 -0.441 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000070174282 351635945 /nfs/dbraw/zinc/63/59/45/351635945.db2.gz OBHHBEBJZUBDEU-TZMCWYRMSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000070174282 351635948 /nfs/dbraw/zinc/63/59/48/351635948.db2.gz OBHHBEBJZUBDEU-TZMCWYRMSA-N 2 1 296.415 -0.264 20 0 CBADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCN1C(=O)CNC1=O ZINC000070149703 351636015 /nfs/dbraw/zinc/63/60/15/351636015.db2.gz YBAIZPMADMJGLX-JTQLQIEISA-N 2 1 254.334 -0.259 20 0 CBADMP CC(C)CNC(=O)NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150379 351643207 /nfs/dbraw/zinc/64/32/07/351643207.db2.gz LJGBZCHIQAFIJP-UHFFFAOYSA-N 2 1 299.419 -0.695 20 0 CBADMP CC(C)CNC(=O)NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150379 351643208 /nfs/dbraw/zinc/64/32/08/351643208.db2.gz LJGBZCHIQAFIJP-UHFFFAOYSA-N 2 1 299.419 -0.695 20 0 CBADMP CN1CC[C@@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000071184668 351643232 /nfs/dbraw/zinc/64/32/32/351643232.db2.gz GBKRXNILBLYZMU-WDEREUQCSA-N 2 1 268.361 -0.996 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)CCCOC)C1 ZINC000073991210 351658242 /nfs/dbraw/zinc/65/82/42/351658242.db2.gz MDZNVDXAGDECRI-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)CCCOC)C1 ZINC000073991210 351658245 /nfs/dbraw/zinc/65/82/45/351658245.db2.gz MDZNVDXAGDECRI-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)CCCOC)C1 ZINC000073991210 351658247 /nfs/dbraw/zinc/65/82/47/351658247.db2.gz MDZNVDXAGDECRI-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)CCCOC)C1 ZINC000073991210 351658249 /nfs/dbraw/zinc/65/82/49/351658249.db2.gz MDZNVDXAGDECRI-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000068807901 351622160 /nfs/dbraw/zinc/62/21/60/351622160.db2.gz OMAADEHKVOOILV-YPMHNXCESA-N 2 1 254.378 -0.652 20 0 CBADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068807494 351622585 /nfs/dbraw/zinc/62/25/85/351622585.db2.gz TUTQCKZGCZAJKM-YPMHNXCESA-N 2 1 256.394 -0.134 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000068807908 351623952 /nfs/dbraw/zinc/62/39/52/351623952.db2.gz OMAADEHKVOOILV-AAEUAGOBSA-N 2 1 254.378 -0.652 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000068807918 351624046 /nfs/dbraw/zinc/62/40/46/351624046.db2.gz LWLLWZZWHIEUTI-CABCVRRESA-N 2 1 290.411 -0.082 20 0 CBADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC(N)=O)CC1 ZINC000076324811 351676705 /nfs/dbraw/zinc/67/67/05/351676705.db2.gz IBSCIXKWFYKKRZ-UHFFFAOYSA-N 2 1 298.431 -0.112 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H](C)C(=O)NC)CC1 ZINC000081526937 351708012 /nfs/dbraw/zinc/70/80/12/351708012.db2.gz ORXFBPQZMTXVPK-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000081066035 351703349 /nfs/dbraw/zinc/70/33/49/351703349.db2.gz MKJAHDQEDRPWAY-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP Cn1cncc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000090168729 351737459 /nfs/dbraw/zinc/73/74/59/351737459.db2.gz GUEMOULUNIORKQ-LLVKDONJSA-N 2 1 265.361 -0.293 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CCC[NH2+]C1 ZINC000091668071 351745397 /nfs/dbraw/zinc/74/53/97/351745397.db2.gz LITFGCKVBFJIQI-JHJVBQTASA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CCC[NH2+]1 ZINC000091668310 351746443 /nfs/dbraw/zinc/74/64/43/351746443.db2.gz PZKHANZTGZKQJC-WOPDTQHZSA-N 2 1 253.346 -0.282 20 0 CBADMP COCC[NH2+]CC(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000092496071 351750081 /nfs/dbraw/zinc/75/00/81/351750081.db2.gz YAQWSURRGRTCLG-UHFFFAOYSA-N 2 1 273.377 -0.597 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)C[NH+]1CCOCC1 ZINC000082257964 351711654 /nfs/dbraw/zinc/71/16/54/351711654.db2.gz LEDHVEULYRGONU-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000093698442 351761084 /nfs/dbraw/zinc/76/10/84/351761084.db2.gz NTMGLOURUDCASX-RWMBFGLXSA-N 2 1 287.429 -0.191 20 0 CBADMP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000093698441 351761371 /nfs/dbraw/zinc/76/13/71/351761371.db2.gz NTMGLOURUDCASX-UPJWGTAASA-N 2 1 287.429 -0.191 20 0 CBADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)c(=O)n(C)c2=O)CC[N@@H+]1C ZINC000093644811 351761410 /nfs/dbraw/zinc/76/14/10/351761410.db2.gz DCXWSKYQDXLKFP-YPMHNXCESA-N 2 1 294.399 -0.002 20 0 CBADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)c(=O)n(C)c2=O)CC[N@H+]1C ZINC000093644811 351761415 /nfs/dbraw/zinc/76/14/15/351761415.db2.gz DCXWSKYQDXLKFP-YPMHNXCESA-N 2 1 294.399 -0.002 20 0 CBADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)CC[NH+]1C ZINC000093644811 351761417 /nfs/dbraw/zinc/76/14/17/351761417.db2.gz DCXWSKYQDXLKFP-YPMHNXCESA-N 2 1 294.399 -0.002 20 0 CBADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)CC[NH+]1C ZINC000093644811 351761419 /nfs/dbraw/zinc/76/14/19/351761419.db2.gz DCXWSKYQDXLKFP-YPMHNXCESA-N 2 1 294.399 -0.002 20 0 CBADMP C[N@H+](CCOCC1CC1)CC(=O)N1CC[NH2+]CC1 ZINC000094989548 351765518 /nfs/dbraw/zinc/76/55/18/351765518.db2.gz PYQGUQNRWSPSEV-UHFFFAOYSA-N 2 1 255.362 -0.223 20 0 CBADMP C[N@@H+](CCOCC1CC1)CC(=O)N1CC[NH2+]CC1 ZINC000094989548 351765524 /nfs/dbraw/zinc/76/55/24/351765524.db2.gz PYQGUQNRWSPSEV-UHFFFAOYSA-N 2 1 255.362 -0.223 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000111695853 351805899 /nfs/dbraw/zinc/80/58/99/351805899.db2.gz CSONEIHTUJYBQY-UTLUCORTSA-N 2 1 256.350 -0.110 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000111695853 351805901 /nfs/dbraw/zinc/80/59/01/351805901.db2.gz CSONEIHTUJYBQY-UTLUCORTSA-N 2 1 256.350 -0.110 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000111695976 351806133 /nfs/dbraw/zinc/80/61/33/351806133.db2.gz JSIAINWEHOGGSB-RYUDHWBXSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000111695976 351806135 /nfs/dbraw/zinc/80/61/35/351806135.db2.gz JSIAINWEHOGGSB-RYUDHWBXSA-N 2 1 255.362 -0.096 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000111796574 351806359 /nfs/dbraw/zinc/80/63/59/351806359.db2.gz UFLDJNUVLWQBEH-UHFFFAOYSA-N 2 1 299.415 -0.064 20 0 CBADMP C[NH+](C)C[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000113512078 351814045 /nfs/dbraw/zinc/81/40/45/351814045.db2.gz LLXOHUUJJMJTEH-LLVKDONJSA-N 2 1 268.361 -0.188 20 0 CBADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000113512078 351814048 /nfs/dbraw/zinc/81/40/48/351814048.db2.gz LLXOHUUJJMJTEH-LLVKDONJSA-N 2 1 268.361 -0.188 20 0 CBADMP COc1ccccc1[C@@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000125753196 351858488 /nfs/dbraw/zinc/85/84/88/351858488.db2.gz UJSSLBJHKBOQIA-CQSZACIVSA-N 2 1 292.383 -0.284 20 0 CBADMP C[C@H]1C[C@@H](N(C)CC(=O)N2CCNC(=O)C2)CC[N@H+]1C ZINC000123837787 187111162 /nfs/dbraw/zinc/11/11/62/187111162.db2.gz XIOAMPSUSGEERT-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000131567250 351887157 /nfs/dbraw/zinc/88/71/57/351887157.db2.gz MSDUJEDEDUNYNA-RKDXNWHRSA-N 2 1 254.334 -0.356 20 0 CBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000131567250 351887162 /nfs/dbraw/zinc/88/71/62/351887162.db2.gz MSDUJEDEDUNYNA-RKDXNWHRSA-N 2 1 254.334 -0.356 20 0 CBADMP C[C@H](CNC(=O)NCC[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000133756456 351900681 /nfs/dbraw/zinc/90/06/81/351900681.db2.gz FGWWYYFGAMJTNL-CYBMUJFWSA-N 2 1 285.436 -0.269 20 0 CBADMP C[C@H](CNC(=O)NCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000133727037 351901551 /nfs/dbraw/zinc/90/15/51/351901551.db2.gz KIUMZUDJBMYULY-GFCCVEGCSA-N 2 1 272.393 -0.185 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]C)C2)C1 ZINC000133830779 351902686 /nfs/dbraw/zinc/90/26/86/351902686.db2.gz NHJSGPICILNFLF-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]C)C2)C1 ZINC000133830779 351902690 /nfs/dbraw/zinc/90/26/90/351902690.db2.gz NHJSGPICILNFLF-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000157309083 351955505 /nfs/dbraw/zinc/95/55/05/351955505.db2.gz XLYYMNIGQORCQE-QWHCGFSZSA-N 2 1 268.405 -0.038 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000166749526 351987369 /nfs/dbraw/zinc/98/73/69/351987369.db2.gz RQWIZHPXMBVTAE-OLZOCXBDSA-N 2 1 294.399 -0.639 20 0 CBADMP C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000167212516 351988655 /nfs/dbraw/zinc/98/86/55/351988655.db2.gz YDUYJYODIFSLOO-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[N@H+]1C[C@@H](C)O ZINC000168011685 351991636 /nfs/dbraw/zinc/99/16/36/351991636.db2.gz ZQDIGYUFGXQDJA-UPJWGTAASA-N 2 1 285.388 -0.722 20 0 CBADMP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@H]1CC ZINC000168082642 351991857 /nfs/dbraw/zinc/99/18/57/351991857.db2.gz OOWQMMORFXEFDQ-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@H]1CC ZINC000168082642 351991862 /nfs/dbraw/zinc/99/18/62/351991862.db2.gz OOWQMMORFXEFDQ-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCOCCO ZINC000174724887 352051047 /nfs/dbraw/zinc/05/10/47/352051047.db2.gz WMQQHJAXMNMUHW-UHFFFAOYSA-N 2 1 259.394 -0.435 20 0 CBADMP C[NH+](C)CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000174988567 352053297 /nfs/dbraw/zinc/05/32/97/352053297.db2.gz UHNQETZJTQWKHA-UHFFFAOYSA-N 2 1 255.362 -0.129 20 0 CBADMP Cn1cncc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000171764344 352016613 /nfs/dbraw/zinc/01/66/13/352016613.db2.gz RIDACWGVTZWJOJ-UHFFFAOYSA-N 2 1 265.361 -0.326 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000172765698 352030865 /nfs/dbraw/zinc/03/08/65/352030865.db2.gz ADGYRWZMBHJQRH-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000172765698 352030870 /nfs/dbraw/zinc/03/08/70/352030870.db2.gz ADGYRWZMBHJQRH-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000172765698 352030872 /nfs/dbraw/zinc/03/08/72/352030872.db2.gz ADGYRWZMBHJQRH-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000172765698 352030877 /nfs/dbraw/zinc/03/08/77/352030877.db2.gz ADGYRWZMBHJQRH-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186666147 352129926 /nfs/dbraw/zinc/12/99/26/352129926.db2.gz MPBLOKBGVVDRGF-RWMBFGLXSA-N 2 1 294.399 -0.463 20 0 CBADMP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186701048 352130267 /nfs/dbraw/zinc/13/02/67/352130267.db2.gz QPKUUFFOVHDMBG-STQMWFEESA-N 2 1 294.399 -0.449 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000178699890 352080952 /nfs/dbraw/zinc/08/09/52/352080952.db2.gz FRAXOQLALGCGDT-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000178700684 352081779 /nfs/dbraw/zinc/08/17/79/352081779.db2.gz IZTJKDKZCXQGIA-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1COCC[NH2+]1 ZINC000178707191 352081981 /nfs/dbraw/zinc/08/19/81/352081981.db2.gz IQVOLVYEVGOCFP-CYBMUJFWSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000178815999 352083413 /nfs/dbraw/zinc/08/34/13/352083413.db2.gz OSZVBGURYGBIQJ-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000178877559 352084724 /nfs/dbraw/zinc/08/47/24/352084724.db2.gz RQMNTPSSCKZQRK-UONOGXRCSA-N 2 1 282.432 -0.014 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188074456 352147645 /nfs/dbraw/zinc/14/76/45/352147645.db2.gz WGMVCOMLDUOPCI-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188163170 352148463 /nfs/dbraw/zinc/14/84/63/352148463.db2.gz YJUMNHLTQHBMIN-NWDGAFQWSA-N 2 1 271.361 -0.798 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@H+]1C[C@@H](C)O ZINC000188187605 352148569 /nfs/dbraw/zinc/14/85/69/352148569.db2.gz ZQDIGYUFGXQDJA-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000188235041 352149516 /nfs/dbraw/zinc/14/95/16/352149516.db2.gz OSZVBGURYGBIQJ-GRYCIOLGSA-N 2 1 255.362 -0.084 20 0 CBADMP COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221172205 352240223 /nfs/dbraw/zinc/24/02/23/352240223.db2.gz IUMGGWIAVSEIEC-VHSXEESVSA-N 2 1 257.334 -0.665 20 0 CBADMP COC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221172205 352240225 /nfs/dbraw/zinc/24/02/25/352240225.db2.gz IUMGGWIAVSEIEC-VHSXEESVSA-N 2 1 257.334 -0.665 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000227374112 352257457 /nfs/dbraw/zinc/25/74/57/352257457.db2.gz NHRWJBWLWUZBIU-STQMWFEESA-N 2 1 287.404 -0.177 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000227373481 352257495 /nfs/dbraw/zinc/25/74/95/352257495.db2.gz XFTWGCZRGYWHIY-STQMWFEESA-N 2 1 286.420 -0.652 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000226402659 352252485 /nfs/dbraw/zinc/25/24/85/352252485.db2.gz PMFLIBQZTJKODS-LBPRGKRZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000226402659 352252487 /nfs/dbraw/zinc/25/24/87/352252487.db2.gz PMFLIBQZTJKODS-LBPRGKRZSA-N 2 1 268.405 -0.167 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000232114751 352278996 /nfs/dbraw/zinc/27/89/96/352278996.db2.gz LPMWBSBNJMJRHV-CMPLNLGQSA-N 2 1 255.362 -0.049 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000236758053 352292868 /nfs/dbraw/zinc/29/28/68/352292868.db2.gz WZKOTVQKYJKXDZ-STQMWFEESA-N 2 1 270.421 -0.031 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000236899520 352295805 /nfs/dbraw/zinc/29/58/05/352295805.db2.gz WEFZXESHTKJMCE-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000236899520 352295810 /nfs/dbraw/zinc/29/58/10/352295810.db2.gz WEFZXESHTKJMCE-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000236900147 352296079 /nfs/dbraw/zinc/29/60/79/352296079.db2.gz KESRNUVCFPMXJD-ZDUSSCGKSA-N 2 1 284.404 -0.881 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000236900147 352296082 /nfs/dbraw/zinc/29/60/82/352296082.db2.gz KESRNUVCFPMXJD-ZDUSSCGKSA-N 2 1 284.404 -0.881 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]C)C1 ZINC000236897996 352296320 /nfs/dbraw/zinc/29/63/20/352296320.db2.gz OWQDLKBWMPQRNT-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]C)C1 ZINC000236897996 352296323 /nfs/dbraw/zinc/29/63/23/352296323.db2.gz OWQDLKBWMPQRNT-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1COCC[NH2+]1 ZINC000236937209 352296918 /nfs/dbraw/zinc/29/69/18/352296918.db2.gz QIQHHNBRDVROKS-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[NH2+]C)CC1 ZINC000237025150 352297535 /nfs/dbraw/zinc/29/75/35/352297535.db2.gz QVPODBQDSCTJTA-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[NH2+]C)CC1 ZINC000237025150 352297538 /nfs/dbraw/zinc/29/75/38/352297538.db2.gz QVPODBQDSCTJTA-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000237114105 352299540 /nfs/dbraw/zinc/29/95/40/352299540.db2.gz IARTVTQSAYXDCF-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000237114105 352299541 /nfs/dbraw/zinc/29/95/41/352299541.db2.gz IARTVTQSAYXDCF-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000237137759 352299732 /nfs/dbraw/zinc/29/97/32/352299732.db2.gz TVKALNYNSVJGJU-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP COCCC[N@H+](C)CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237190284 352301245 /nfs/dbraw/zinc/30/12/45/352301245.db2.gz SKFTZMGIJAXNRE-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237190284 352301246 /nfs/dbraw/zinc/30/12/46/352301246.db2.gz SKFTZMGIJAXNRE-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP COCC[NH2+]CC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000237188097 352301299 /nfs/dbraw/zinc/30/12/99/352301299.db2.gz AILAABFNNGEOSP-GFCCVEGCSA-N 2 1 273.377 -0.693 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000237190241 352301496 /nfs/dbraw/zinc/30/14/96/352301496.db2.gz MAWCUCMIPJSVLB-NSHDSACASA-N 2 1 259.350 -0.941 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237183503 352301794 /nfs/dbraw/zinc/30/17/94/352301794.db2.gz YUCDMOMAEHKMAT-UTUOFQBUSA-N 2 1 255.362 -0.036 20 0 CBADMP C[NH2+]CC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000237216981 352302647 /nfs/dbraw/zinc/30/26/47/352302647.db2.gz INKCAVNVUUOOOG-UHFFFAOYSA-N 2 1 256.394 -0.404 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)CC(=O)NC(N)=O)[C@@H](C)C1 ZINC000245441257 352320110 /nfs/dbraw/zinc/32/01/10/352320110.db2.gz VHEJIWIAZNCXFO-UWVGGRQHSA-N 2 1 256.350 -0.157 20 0 CBADMP C[C@@H]([NH3+])C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000237458141 352306344 /nfs/dbraw/zinc/30/63/44/352306344.db2.gz FSERQMVZJQSSCJ-LLVKDONJSA-N 2 1 256.394 -0.277 20 0 CBADMP C[C@@H](CNC(=O)C[NH2+]C1CC1)C[NH+]1CCOCC1 ZINC000237545359 352307287 /nfs/dbraw/zinc/30/72/87/352307287.db2.gz COTHRJIEYOYULV-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC000245472501 352321552 /nfs/dbraw/zinc/32/15/52/352321552.db2.gz ZCUUJVFMRSFXIA-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000245472501 352321554 /nfs/dbraw/zinc/32/15/54/352321554.db2.gz ZCUUJVFMRSFXIA-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000245472501 352321555 /nfs/dbraw/zinc/32/15/55/352321555.db2.gz ZCUUJVFMRSFXIA-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000245472501 352321557 /nfs/dbraw/zinc/32/15/57/352321557.db2.gz ZCUUJVFMRSFXIA-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245472501 352321558 /nfs/dbraw/zinc/32/15/58/352321558.db2.gz ZCUUJVFMRSFXIA-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000246105278 352328015 /nfs/dbraw/zinc/32/80/15/352328015.db2.gz HTNXTOMCUIUVHQ-NEPJUHHUSA-N 2 1 255.362 -0.130 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]C)C2)C1 ZINC000247308649 352345691 /nfs/dbraw/zinc/34/56/91/352345691.db2.gz QIRPRQSHMTXUPQ-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]C)C2)C1 ZINC000247308649 352345696 /nfs/dbraw/zinc/34/56/96/352345696.db2.gz QIRPRQSHMTXUPQ-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000250418936 352371950 /nfs/dbraw/zinc/37/19/50/352371950.db2.gz YSGBRRRCNODYAZ-KBPBESRZSA-N 2 1 270.421 -0.722 20 0 CBADMP Cn1c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(=O)n(C)c1=O ZINC000252861954 352380222 /nfs/dbraw/zinc/38/02/22/352380222.db2.gz NTTFLMMHDFFPDQ-WCFLWFBJSA-N 2 1 292.383 -0.357 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000253146148 352381602 /nfs/dbraw/zinc/38/16/02/352381602.db2.gz IOSVQMXWAGRGCX-WUHRBBMRSA-N 2 1 287.379 -0.010 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000253146148 352381606 /nfs/dbraw/zinc/38/16/06/352381606.db2.gz IOSVQMXWAGRGCX-WUHRBBMRSA-N 2 1 287.379 -0.010 20 0 CBADMP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000253165907 352381837 /nfs/dbraw/zinc/38/18/37/352381837.db2.gz ZOGNHFSEZRDIEU-AGIUHOORSA-N 2 1 268.405 -0.264 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261928313 352400513 /nfs/dbraw/zinc/40/05/13/352400513.db2.gz LEHIMKPTKIJTCN-VXGBXAGGSA-N 2 1 275.418 0.000 20 0 CBADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261928313 352400517 /nfs/dbraw/zinc/40/05/17/352400517.db2.gz LEHIMKPTKIJTCN-VXGBXAGGSA-N 2 1 275.418 0.000 20 0 CBADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1COCC[NH2+]1 ZINC000258894282 352386868 /nfs/dbraw/zinc/38/68/68/352386868.db2.gz IARTVTQSAYXDCF-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1COCC[NH2+]1 ZINC000258894282 352386869 /nfs/dbraw/zinc/38/68/69/352386869.db2.gz IARTVTQSAYXDCF-VXGBXAGGSA-N 2 1 255.362 -0.225 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261568807 352388257 /nfs/dbraw/zinc/38/82/57/352388257.db2.gz JKWSGOKNENUZKY-NXEZZACHSA-N 2 1 254.334 -0.484 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261568807 352388260 /nfs/dbraw/zinc/38/82/60/352388260.db2.gz JKWSGOKNENUZKY-NXEZZACHSA-N 2 1 254.334 -0.484 20 0 CBADMP O=C1CCC(=O)N1CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261577488 352388592 /nfs/dbraw/zinc/38/85/92/352388592.db2.gz OKNNVHMVYKUGNB-ZDUSSCGKSA-N 2 1 251.330 -0.179 20 0 CBADMP O=C1CCC(=O)N1CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261577488 352388597 /nfs/dbraw/zinc/38/85/97/352388597.db2.gz OKNNVHMVYKUGNB-ZDUSSCGKSA-N 2 1 251.330 -0.179 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[C@H](C)[NH3+])CC1 ZINC000261683411 352392906 /nfs/dbraw/zinc/39/29/06/352392906.db2.gz BQEBRPUHTMZFJT-NSHDSACASA-N 2 1 284.404 -0.170 20 0 CBADMP O=C1NC(=O)[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)N1 ZINC000261935944 352401195 /nfs/dbraw/zinc/40/11/95/352401195.db2.gz MBWGSJZHXKUGDN-CYBMUJFWSA-N 2 1 266.345 -0.340 20 0 CBADMP NC(=O)C[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262221113 352411623 /nfs/dbraw/zinc/41/16/23/352411623.db2.gz UNOGPQPVOQIHHE-GFCCVEGCSA-N 2 1 282.388 -0.462 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262252705 352412720 /nfs/dbraw/zinc/41/27/20/352412720.db2.gz WZNMXPKQVUWBJF-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP C[C@H](CS(C)(=O)=O)[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000262270095 352413527 /nfs/dbraw/zinc/41/35/27/352413527.db2.gz YIDGZLKYRSPEAD-LLVKDONJSA-N 2 1 291.417 -0.827 20 0 CBADMP C[C@H](CS(C)(=O)=O)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000262270095 352413529 /nfs/dbraw/zinc/41/35/29/352413529.db2.gz YIDGZLKYRSPEAD-LLVKDONJSA-N 2 1 291.417 -0.827 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262313942 352415818 /nfs/dbraw/zinc/41/58/18/352415818.db2.gz BTHMZXBSOPMGRE-UTUOFQBUSA-N 2 1 255.362 -0.443 20 0 CBADMP C[C@@H](C[NH3+])C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000262336337 352417108 /nfs/dbraw/zinc/41/71/08/352417108.db2.gz HIOFTCFWXKVGKX-LBPRGKRZSA-N 2 1 270.421 -0.029 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262367259 352419278 /nfs/dbraw/zinc/41/92/78/352419278.db2.gz JNGOSWBUICJCFQ-XQHKEYJVSA-N 2 1 269.389 -0.054 20 0 CBADMP C[C@H](CNC(=O)CNC(=O)C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000262369561 352419589 /nfs/dbraw/zinc/41/95/89/352419589.db2.gz IJONZSULVGTCAK-GFCCVEGCSA-N 2 1 292.383 -0.302 20 0 CBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CNC(=O)C[NH3+])C1 ZINC000262419255 352421635 /nfs/dbraw/zinc/42/16/35/352421635.db2.gz QTEMPTQJJAYNAM-BETUJISGSA-N 2 1 298.431 -0.064 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)C[NH3+] ZINC000262442673 352421678 /nfs/dbraw/zinc/42/16/78/352421678.db2.gz UVMWCWZGKGXRLX-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262490217 352423594 /nfs/dbraw/zinc/42/35/94/352423594.db2.gz ZFSUNTGFOHOBJT-SRVKXCTJSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH2+]C)CC1=O ZINC000262568147 352426410 /nfs/dbraw/zinc/42/64/10/352426410.db2.gz FPKRHJNHQXGFPT-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000262585032 352427343 /nfs/dbraw/zinc/42/73/43/352427343.db2.gz NXRJKARKVNYDKV-WOPDTQHZSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000262585032 352427344 /nfs/dbraw/zinc/42/73/44/352427344.db2.gz NXRJKARKVNYDKV-WOPDTQHZSA-N 2 1 255.362 -0.049 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)C1 ZINC000262727269 352431676 /nfs/dbraw/zinc/43/16/76/352431676.db2.gz AOUGLOOYUAXCLK-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)C1 ZINC000262727269 352431679 /nfs/dbraw/zinc/43/16/79/352431679.db2.gz AOUGLOOYUAXCLK-TUAOUCFPSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000263226944 352440266 /nfs/dbraw/zinc/44/02/66/352440266.db2.gz GSWMGCNXKOQNCA-OCCSQVGLSA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@@]1(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)CC[NH2+]C1 ZINC000262022139 352404160 /nfs/dbraw/zinc/40/41/60/352404160.db2.gz NGBIEJKNFOHLFN-NWDGAFQWSA-N 2 1 275.418 -0.014 20 0 CBADMP C[C@@]1(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)CC[NH2+]C1 ZINC000262022139 352404162 /nfs/dbraw/zinc/40/41/62/352404162.db2.gz NGBIEJKNFOHLFN-NWDGAFQWSA-N 2 1 275.418 -0.014 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000290036453 352671886 /nfs/dbraw/zinc/67/18/86/352671886.db2.gz SFDCQDNKMXINFW-GXSJLCMTSA-N 2 1 254.334 -0.082 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300420244 352733973 /nfs/dbraw/zinc/73/39/73/352733973.db2.gz AKOMDQKGKXLJPM-QWRGUYRKSA-N 2 1 261.391 -0.248 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300420244 352733975 /nfs/dbraw/zinc/73/39/75/352733975.db2.gz AKOMDQKGKXLJPM-QWRGUYRKSA-N 2 1 261.391 -0.248 20 0 CBADMP O[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](O)C2)C1 ZINC000304786582 352747125 /nfs/dbraw/zinc/74/71/25/352747125.db2.gz IMNWMMGSUDJJFV-KBPBESRZSA-N 2 1 272.389 -0.084 20 0 CBADMP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000310133665 352758226 /nfs/dbraw/zinc/75/82/26/352758226.db2.gz IHWQBVNQFXIYIT-NSHDSACASA-N 2 1 263.407 -0.061 20 0 CBADMP COC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC[NH2+]C1 ZINC000310811038 352762086 /nfs/dbraw/zinc/76/20/86/352762086.db2.gz GIMSDVMXJGNEDB-WCQYABFASA-N 2 1 255.362 -0.320 20 0 CBADMP COC[C@]1(C(=O)NC[C@H]2CC[N@@H+](C)C2)CC[NH2+]C1 ZINC000310811040 352762259 /nfs/dbraw/zinc/76/22/59/352762259.db2.gz GIMSDVMXJGNEDB-YPMHNXCESA-N 2 1 255.362 -0.320 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000310920401 352763174 /nfs/dbraw/zinc/76/31/74/352763174.db2.gz SHRJPYPXXLBILT-AGIUHOORSA-N 2 1 260.378 -0.372 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[NH+](C)CC1 ZINC000310961255 352764261 /nfs/dbraw/zinc/76/42/61/352764261.db2.gz AQQNZHZRSUGJHV-CYBMUJFWSA-N 2 1 259.394 -0.437 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CCC[N@H+](C)CC1 ZINC000310961255 352764262 /nfs/dbraw/zinc/76/42/62/352764262.db2.gz AQQNZHZRSUGJHV-CYBMUJFWSA-N 2 1 259.394 -0.437 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1CCC[N@@H+](C)CC1 ZINC000310961255 352764264 /nfs/dbraw/zinc/76/42/64/352764264.db2.gz AQQNZHZRSUGJHV-CYBMUJFWSA-N 2 1 259.394 -0.437 20 0 CBADMP Cn1nccc1CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000311915483 352772551 /nfs/dbraw/zinc/77/25/51/352772551.db2.gz ARBZICVGCHGHKD-AWEZNQCLSA-N 2 1 263.389 -0.058 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1COCC1(C)C ZINC000313025514 352777426 /nfs/dbraw/zinc/77/74/26/352777426.db2.gz HKTDBAOOJWTKBH-NEPJUHHUSA-N 2 1 260.378 -0.060 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1COCC1(C)C ZINC000313025514 352777430 /nfs/dbraw/zinc/77/74/30/352777430.db2.gz HKTDBAOOJWTKBH-NEPJUHHUSA-N 2 1 260.378 -0.060 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@H](C)C[NH2+]1 ZINC000331377074 352910553 /nfs/dbraw/zinc/91/05/53/352910553.db2.gz HHKONHFRLXFXMR-UTUOFQBUSA-N 2 1 294.399 -0.452 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000332101181 352935000 /nfs/dbraw/zinc/93/50/00/352935000.db2.gz QCNSNSGWUCJSRT-QWHCGFSZSA-N 2 1 294.399 -0.497 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000332101181 352935001 /nfs/dbraw/zinc/93/50/01/352935001.db2.gz QCNSNSGWUCJSRT-QWHCGFSZSA-N 2 1 294.399 -0.497 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000332101181 352935002 /nfs/dbraw/zinc/93/50/02/352935002.db2.gz QCNSNSGWUCJSRT-QWHCGFSZSA-N 2 1 294.399 -0.497 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000331523642 352921295 /nfs/dbraw/zinc/92/12/95/352921295.db2.gz RJOCHXRGCXVMLH-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH+](CC)CC2)C1 ZINC000331521944 352921723 /nfs/dbraw/zinc/92/17/23/352921723.db2.gz JUGMDFGSTABYOZ-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[N@H+](CC)CC2)C1 ZINC000331521944 352921728 /nfs/dbraw/zinc/92/17/28/352921728.db2.gz JUGMDFGSTABYOZ-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[N@@H+](CC)CC2)C1 ZINC000331521944 352921730 /nfs/dbraw/zinc/92/17/30/352921730.db2.gz JUGMDFGSTABYOZ-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000331725598 352927470 /nfs/dbraw/zinc/92/74/70/352927470.db2.gz XBHPEQHQRJACIV-AGIUHOORSA-N 2 1 294.399 -0.402 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC[NH2+]1 ZINC000332072916 352934141 /nfs/dbraw/zinc/93/41/41/352934141.db2.gz VMSPQGRKRBVGKP-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC[NH2+]1 ZINC000332072918 352934147 /nfs/dbraw/zinc/93/41/47/352934147.db2.gz VMSPQGRKRBVGKP-UPJWGTAASA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332620040 352970293 /nfs/dbraw/zinc/97/02/93/352970293.db2.gz TYUYAQRXEJTZLR-FRRDWIJNSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332691041 352976516 /nfs/dbraw/zinc/97/65/16/352976516.db2.gz QMMYUEVWWFKVDS-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332691041 352976520 /nfs/dbraw/zinc/97/65/20/352976520.db2.gz QMMYUEVWWFKVDS-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[C@H]21 ZINC000332725704 352979907 /nfs/dbraw/zinc/97/99/07/352979907.db2.gz PSZSITMGZYRCDL-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332736411 352981310 /nfs/dbraw/zinc/98/13/10/352981310.db2.gz VKYJVPKYOLYCLH-NSHDSACASA-N 2 1 268.361 -0.900 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332736411 352981313 /nfs/dbraw/zinc/98/13/13/352981313.db2.gz VKYJVPKYOLYCLH-NSHDSACASA-N 2 1 268.361 -0.900 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000332196662 352939196 /nfs/dbraw/zinc/93/91/96/352939196.db2.gz CMZOTCSBBMUUSY-XQQFMLRXSA-N 2 1 294.399 -0.498 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000332196658 352939208 /nfs/dbraw/zinc/93/92/08/352939208.db2.gz CMZOTCSBBMUUSY-UPJWGTAASA-N 2 1 294.399 -0.498 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000332338006 352945004 /nfs/dbraw/zinc/94/50/04/352945004.db2.gz RNYIEBITENNTEP-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332495951 352959815 /nfs/dbraw/zinc/95/98/15/352959815.db2.gz PWXZICJXFULJQC-OLZOCXBDSA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332495951 352959817 /nfs/dbraw/zinc/95/98/17/352959817.db2.gz PWXZICJXFULJQC-OLZOCXBDSA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332495953 352959830 /nfs/dbraw/zinc/95/98/30/352959830.db2.gz PWXZICJXFULJQC-QWHCGFSZSA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332495953 352959832 /nfs/dbraw/zinc/95/98/32/352959832.db2.gz PWXZICJXFULJQC-QWHCGFSZSA-N 2 1 294.399 -0.449 20 0 CBADMP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000332549179 352964622 /nfs/dbraw/zinc/96/46/22/352964622.db2.gz IKBBWAFGCNSWNR-AGIUHOORSA-N 2 1 294.399 -0.321 20 0 CBADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332558550 352965664 /nfs/dbraw/zinc/96/56/64/352965664.db2.gz OTXXNJIJAZLICK-VXGBXAGGSA-N 2 1 280.372 -0.839 20 0 CBADMP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332577639 352968091 /nfs/dbraw/zinc/96/80/91/352968091.db2.gz ADLJBUVWWGIKGP-QWHCGFSZSA-N 2 1 294.399 -0.367 20 0 CBADMP C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000332578333 352968346 /nfs/dbraw/zinc/96/83/46/352968346.db2.gz DOTHSFYGKVYILN-CYBMUJFWSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333933178 353014587 /nfs/dbraw/zinc/01/45/87/353014587.db2.gz HLMQVDRPMIDCTD-UONOGXRCSA-N 2 1 295.431 -0.230 20 0 CBADMP CN(C(=O)NCC[N@H+]1CCCOCC1)C1CC([NH3+])C1 ZINC000333620715 353006131 /nfs/dbraw/zinc/00/61/31/353006131.db2.gz RQFXZVGVSJPVAL-UHFFFAOYSA-N 2 1 270.377 -0.160 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333747032 353009253 /nfs/dbraw/zinc/00/92/53/353009253.db2.gz YMILSNOQXHOBPX-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000333781659 353010096 /nfs/dbraw/zinc/01/00/96/353010096.db2.gz DUYQJYJZYMFTFH-NDBYEHHHSA-N 2 1 282.388 -0.698 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000333777222 353010101 /nfs/dbraw/zinc/01/01/01/353010101.db2.gz DCGPISAXVUDIAN-YNEHKIRRSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000333764668 353010206 /nfs/dbraw/zinc/01/02/06/353010206.db2.gz BBMWBYGZYSUPCO-AGIUHOORSA-N 2 1 284.404 -0.308 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000333764668 353010208 /nfs/dbraw/zinc/01/02/08/353010208.db2.gz BBMWBYGZYSUPCO-AGIUHOORSA-N 2 1 284.404 -0.308 20 0 CBADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000333805238 353010631 /nfs/dbraw/zinc/01/06/31/353010631.db2.gz ILUPQNOQNGXHAS-WDNDVIMCSA-N 2 1 296.415 -0.044 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000333801959 353010900 /nfs/dbraw/zinc/01/09/00/353010900.db2.gz HXSORYSZFLTDQA-ITGUQSILSA-N 2 1 282.388 -0.432 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000333850045 353011496 /nfs/dbraw/zinc/01/14/96/353011496.db2.gz PXJFBGJPOONWGU-JHJVBQTASA-N 2 1 284.404 -0.165 20 0 CBADMP 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 353011888 /nfs/dbraw/zinc/01/18/88/353011888.db2.gz OCBVTSYEZPYNBM-WUHRBBMRSA-N 2 1 296.415 -0.309 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000333891544 353013564 /nfs/dbraw/zinc/01/35/64/353013564.db2.gz YGMYIBXDODTUBO-RWMBFGLXSA-N 2 1 284.404 -0.308 20 0 CBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H](C)O1 ZINC000333897584 353013761 /nfs/dbraw/zinc/01/37/61/353013761.db2.gz ZHMGXJPZXXIXDF-KCLGILNXSA-N 2 1 296.415 -0.045 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H](C)O1 ZINC000333897584 353013762 /nfs/dbraw/zinc/01/37/62/353013762.db2.gz ZHMGXJPZXXIXDF-KCLGILNXSA-N 2 1 296.415 -0.045 20 0 CBADMP CN(C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1C[NH2+]C[C@@H]1O ZINC000333904430 353013786 /nfs/dbraw/zinc/01/37/86/353013786.db2.gz CGWSKOVXLTUKDX-CYDGBPFRSA-N 2 1 282.388 -0.413 20 0 CBADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336810749 353058572 /nfs/dbraw/zinc/05/85/72/353058572.db2.gz JDMAGVZCUSNGCS-ZDUSSCGKSA-N 2 1 266.345 -0.106 20 0 CBADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336810749 353058574 /nfs/dbraw/zinc/05/85/74/353058574.db2.gz JDMAGVZCUSNGCS-ZDUSSCGKSA-N 2 1 266.345 -0.106 20 0 CBADMP C[N@@H+]1CC[C@]2(CC[NH+](CCCN3C(=O)CNC3=O)C2)C1 ZINC000336833575 353062340 /nfs/dbraw/zinc/06/23/40/353062340.db2.gz OQQRXYQRJMHMSC-AWEZNQCLSA-N 2 1 280.372 -0.044 20 0 CBADMP C[N@H+]1CC[C@]2(CC[NH+](CCCN3C(=O)CNC3=O)C2)C1 ZINC000336833575 353062342 /nfs/dbraw/zinc/06/23/42/353062342.db2.gz OQQRXYQRJMHMSC-AWEZNQCLSA-N 2 1 280.372 -0.044 20 0 CBADMP C[NH+]1CC[C@]2(CC[N@H+](CCCN3C(=O)CNC3=O)C2)C1 ZINC000336833575 353062343 /nfs/dbraw/zinc/06/23/43/353062343.db2.gz OQQRXYQRJMHMSC-AWEZNQCLSA-N 2 1 280.372 -0.044 20 0 CBADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCN3C(=O)CNC3=O)C2)C1 ZINC000336833575 353062345 /nfs/dbraw/zinc/06/23/45/353062345.db2.gz OQQRXYQRJMHMSC-AWEZNQCLSA-N 2 1 280.372 -0.044 20 0 CBADMP CNS(=O)(=O)CCCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336795504 353053792 /nfs/dbraw/zinc/05/37/92/353053792.db2.gz KZNVMSOWBMEOKF-LBPRGKRZSA-N 2 1 275.418 -0.047 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336795504 353053793 /nfs/dbraw/zinc/05/37/93/353053793.db2.gz KZNVMSOWBMEOKF-LBPRGKRZSA-N 2 1 275.418 -0.047 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336795504 353053794 /nfs/dbraw/zinc/05/37/94/353053794.db2.gz KZNVMSOWBMEOKF-LBPRGKRZSA-N 2 1 275.418 -0.047 20 0 CBADMP CNS(=O)(=O)CCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336795504 353053798 /nfs/dbraw/zinc/05/37/98/353053798.db2.gz KZNVMSOWBMEOKF-LBPRGKRZSA-N 2 1 275.418 -0.047 20 0 CBADMP CNS(=O)(=O)CCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336795504 353053800 /nfs/dbraw/zinc/05/38/00/353053800.db2.gz KZNVMSOWBMEOKF-LBPRGKRZSA-N 2 1 275.418 -0.047 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCCNC1=O ZINC000336799443 353055145 /nfs/dbraw/zinc/05/51/45/353055145.db2.gz IOMZGVQXOWWHMO-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@@H](CNC(=O)C1([NH3+])CCOCC1)C[NH+]1CCOCC1 ZINC000338150245 353087256 /nfs/dbraw/zinc/08/72/56/353087256.db2.gz JRVOPZUJZYPMMP-LBPRGKRZSA-N 2 1 285.388 -0.421 20 0 CBADMP C[C@H](CNC(=O)C1([NH3+])CCOCC1)C[NH+]1CCOCC1 ZINC000338150244 353087320 /nfs/dbraw/zinc/08/73/20/353087320.db2.gz JRVOPZUJZYPMMP-GFCCVEGCSA-N 2 1 285.388 -0.421 20 0 CBADMP CC(C)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(N)=O ZINC000338231235 353090171 /nfs/dbraw/zinc/09/01/71/353090171.db2.gz NNROPGIZUKQWMJ-UHFFFAOYSA-N 2 1 284.404 -0.406 20 0 CBADMP CC(C)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(N)=O ZINC000338231235 353090173 /nfs/dbraw/zinc/09/01/73/353090173.db2.gz NNROPGIZUKQWMJ-UHFFFAOYSA-N 2 1 284.404 -0.406 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000338265060 353091759 /nfs/dbraw/zinc/09/17/59/353091759.db2.gz UIYQQYLICAJDIX-LBPRGKRZSA-N 2 1 282.388 -0.510 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000338265060 353091761 /nfs/dbraw/zinc/09/17/61/353091761.db2.gz UIYQQYLICAJDIX-LBPRGKRZSA-N 2 1 282.388 -0.510 20 0 CBADMP C[C@@H](O)[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338293362 353093298 /nfs/dbraw/zinc/09/32/98/353093298.db2.gz YBXABIRLFZTIFA-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H](O)[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338293362 353093300 /nfs/dbraw/zinc/09/33/00/353093300.db2.gz YBXABIRLFZTIFA-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC1(O)CCC1 ZINC000338307907 353094336 /nfs/dbraw/zinc/09/43/36/353094336.db2.gz ZOXIVBULZCLSEZ-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC1(O)CCC1 ZINC000338307907 353094338 /nfs/dbraw/zinc/09/43/38/353094338.db2.gz ZOXIVBULZCLSEZ-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000338357878 353097825 /nfs/dbraw/zinc/09/78/25/353097825.db2.gz MSSUVDNJYUPRPU-AWEZNQCLSA-N 2 1 282.388 -0.652 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000338357878 353097826 /nfs/dbraw/zinc/09/78/26/353097826.db2.gz MSSUVDNJYUPRPU-AWEZNQCLSA-N 2 1 282.388 -0.652 20 0 CBADMP CNC(=O)[C@@]1(C)CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338372011 353099336 /nfs/dbraw/zinc/09/93/36/353099336.db2.gz YMWAPZIUGAFTER-HNNXBMFYSA-N 2 1 296.415 -0.392 20 0 CBADMP CNC(=O)[C@@]1(C)CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338372011 353099339 /nfs/dbraw/zinc/09/93/39/353099339.db2.gz YMWAPZIUGAFTER-HNNXBMFYSA-N 2 1 296.415 -0.392 20 0 CBADMP COCCC[N@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338377849 353099786 /nfs/dbraw/zinc/09/97/86/353099786.db2.gz NAVZYWWLUGREGC-UHFFFAOYSA-N 2 1 287.404 -0.519 20 0 CBADMP COCCC[N@@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338377849 353099788 /nfs/dbraw/zinc/09/97/88/353099788.db2.gz NAVZYWWLUGREGC-UHFFFAOYSA-N 2 1 287.404 -0.519 20 0 CBADMP CO[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1OC ZINC000338385914 353099976 /nfs/dbraw/zinc/09/99/76/353099976.db2.gz QKYADHGHAYGYAO-BETUJISGSA-N 2 1 285.388 -0.504 20 0 CBADMP CO[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1OC ZINC000338385914 353099978 /nfs/dbraw/zinc/09/99/78/353099978.db2.gz QKYADHGHAYGYAO-BETUJISGSA-N 2 1 285.388 -0.504 20 0 CBADMP O=C(NC1C[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000152364494 188012931 /nfs/dbraw/zinc/01/29/31/188012931.db2.gz SMUIBSZACZCGBV-AWEZNQCLSA-N 2 1 275.352 -0.025 20 0 CBADMP O=C(NC1C[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000152364494 188012933 /nfs/dbraw/zinc/01/29/33/188012933.db2.gz SMUIBSZACZCGBV-AWEZNQCLSA-N 2 1 275.352 -0.025 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000340215393 353157120 /nfs/dbraw/zinc/15/71/20/353157120.db2.gz RMBFRHANWIWKCN-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000340277726 353161336 /nfs/dbraw/zinc/16/13/36/353161336.db2.gz MXFVSVQQERJDQP-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000340277726 353161338 /nfs/dbraw/zinc/16/13/38/353161338.db2.gz MXFVSVQQERJDQP-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000340700264 353182605 /nfs/dbraw/zinc/18/26/05/353182605.db2.gz LJBBZETYGGJNFC-UONOGXRCSA-N 2 1 271.405 -0.389 20 0 CBADMP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](C)CC1 ZINC000341200433 353205471 /nfs/dbraw/zinc/20/54/71/353205471.db2.gz MNIVOBACQUCBCP-UHFFFAOYSA-N 2 1 272.393 -0.088 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C)CC1 ZINC000341200433 353205474 /nfs/dbraw/zinc/20/54/74/353205474.db2.gz MNIVOBACQUCBCP-UHFFFAOYSA-N 2 1 272.393 -0.088 20 0 CBADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000341310675 353209048 /nfs/dbraw/zinc/20/90/48/353209048.db2.gz ZZXFREMTJYBPKX-ZIAGYGMSSA-N 2 1 298.431 -0.541 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000341310675 353209050 /nfs/dbraw/zinc/20/90/50/353209050.db2.gz ZZXFREMTJYBPKX-ZIAGYGMSSA-N 2 1 298.431 -0.541 20 0 CBADMP C[NH+](C)CC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000341304047 353209479 /nfs/dbraw/zinc/20/94/79/353209479.db2.gz SQFUUOYKILMPIX-SNVBAGLBSA-N 2 1 256.350 -0.996 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000342690719 353228236 /nfs/dbraw/zinc/22/82/36/353228236.db2.gz GLLURNZGXKSAGD-WCQYABFASA-N 2 1 296.415 -0.299 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000342693981 353228393 /nfs/dbraw/zinc/22/83/93/353228393.db2.gz FSBZPOVVGUZNMC-NWDGAFQWSA-N 2 1 282.388 -0.558 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000342723821 353229724 /nfs/dbraw/zinc/22/97/24/353229724.db2.gz BESOHCPVSGJVEY-QWHCGFSZSA-N 2 1 296.415 -0.310 20 0 CBADMP CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000343080688 353251458 /nfs/dbraw/zinc/25/14/58/353251458.db2.gz FHADRPWXUVTLGV-CQSZACIVSA-N 2 1 280.416 -0.023 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000343453232 353273170 /nfs/dbraw/zinc/27/31/70/353273170.db2.gz HKAQARKALOECPB-ADEWGFFLSA-N 2 1 283.372 -0.134 20 0 CBADMP CN(C(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@H]1CCC[N@@H+](C)C1 ZINC000343557767 353279112 /nfs/dbraw/zinc/27/91/12/353279112.db2.gz ZZVRFRYRCYFXBS-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1CCC[NH+](C)C1 ZINC000343557767 353279113 /nfs/dbraw/zinc/27/91/13/353279113.db2.gz ZZVRFRYRCYFXBS-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C(=O)[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1CCC[NH+](C)C1 ZINC000343557767 353279115 /nfs/dbraw/zinc/27/91/15/353279115.db2.gz ZZVRFRYRCYFXBS-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000343324078 353267642 /nfs/dbraw/zinc/26/76/42/353267642.db2.gz PMJCIDPVVBPRDR-TZMCWYRMSA-N 2 1 278.400 -0.271 20 0 CBADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343324078 353267646 /nfs/dbraw/zinc/26/76/46/353267646.db2.gz PMJCIDPVVBPRDR-TZMCWYRMSA-N 2 1 278.400 -0.271 20 0 CBADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343324078 353267649 /nfs/dbraw/zinc/26/76/49/353267649.db2.gz PMJCIDPVVBPRDR-TZMCWYRMSA-N 2 1 278.400 -0.271 20 0 CBADMP [NH3+]CC1CCC(CNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000343587634 353280307 /nfs/dbraw/zinc/28/03/07/353280307.db2.gz DKGSUHXWTWXJMH-HTAVTVPLSA-N 2 1 255.362 -0.144 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000343687239 353284521 /nfs/dbraw/zinc/28/45/21/353284521.db2.gz RACQNHMPIUZGFE-UONOGXRCSA-N 2 1 296.415 -0.787 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000343687239 353284523 /nfs/dbraw/zinc/28/45/23/353284523.db2.gz RACQNHMPIUZGFE-UONOGXRCSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000156752276 188279950 /nfs/dbraw/zinc/27/99/50/188279950.db2.gz NOZYZSMMIIIDEG-VXGBXAGGSA-N 2 1 256.394 -0.277 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000346109949 353362352 /nfs/dbraw/zinc/36/23/52/353362352.db2.gz VCUIZARSEMGWJT-QWHCGFSZSA-N 2 1 268.405 -0.038 20 0 CBADMP C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000346127248 353362680 /nfs/dbraw/zinc/36/26/80/353362680.db2.gz CGMOSYBVPSNCDG-VXGBXAGGSA-N 2 1 256.394 -0.311 20 0 CBADMP C[NH+](C)CCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000345590025 353339863 /nfs/dbraw/zinc/33/98/63/353339863.db2.gz WJALGRQQCRFNIN-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)CCOC2C[NH2+]C2)CC[N@H+]1C ZINC000348988511 353442983 /nfs/dbraw/zinc/44/29/83/353442983.db2.gz HXODRRVWEKSSTK-QWRGUYRKSA-N 2 1 255.362 -0.036 20 0 CBADMP CC(C)[C@H](CNC(=O)CCOC1C[NH2+]C1)[NH+]1CCOCC1 ZINC000349023186 353444890 /nfs/dbraw/zinc/44/48/90/353444890.db2.gz BLWXZILPDNDSTP-AWEZNQCLSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CCOC1C[NH2+]C1 ZINC000349006245 353444961 /nfs/dbraw/zinc/44/49/61/353444961.db2.gz UAFNVDFTNAICEW-GFCCVEGCSA-N 2 1 284.404 -0.883 20 0 CBADMP CC(C)[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000349119410 353450082 /nfs/dbraw/zinc/45/00/82/353450082.db2.gz PQKACNRINOHEQM-CQSZACIVSA-N 2 1 298.431 -0.147 20 0 CBADMP C[N@@H+](CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000351536512 353475916 /nfs/dbraw/zinc/47/59/16/353475916.db2.gz GVIVCYCHQYGLMV-CYBMUJFWSA-N 2 1 296.415 -0.155 20 0 CBADMP COC[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000354067791 353541443 /nfs/dbraw/zinc/54/14/43/353541443.db2.gz GHFFQWGABMKHHE-WDEREUQCSA-N 2 1 259.350 -0.813 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000354155891 353545665 /nfs/dbraw/zinc/54/56/65/353545665.db2.gz RWOGMJVGODHVBQ-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000354155891 353545669 /nfs/dbraw/zinc/54/56/69/353545669.db2.gz RWOGMJVGODHVBQ-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354692914 353578992 /nfs/dbraw/zinc/57/89/92/353578992.db2.gz OBYMTKWNGDALTG-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354702461 353579397 /nfs/dbraw/zinc/57/93/97/353579397.db2.gz YHDPSKXKILSDFQ-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354717201 353580187 /nfs/dbraw/zinc/58/01/87/353580187.db2.gz VIEXTUNESLADDZ-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354717201 353580190 /nfs/dbraw/zinc/58/01/90/353580190.db2.gz VIEXTUNESLADDZ-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000354721021 353580351 /nfs/dbraw/zinc/58/03/51/353580351.db2.gz YDOLHFBTJIXITA-QWHCGFSZSA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354717199 353580359 /nfs/dbraw/zinc/58/03/59/353580359.db2.gz VIEXTUNESLADDZ-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354717199 353580362 /nfs/dbraw/zinc/58/03/62/353580362.db2.gz VIEXTUNESLADDZ-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000354739847 353582120 /nfs/dbraw/zinc/58/21/20/353582120.db2.gz SYQJCDPGHWYQIF-UHFFFAOYSA-N 2 1 257.378 -0.101 20 0 CBADMP [NH3+]CCOCC[NH+]1CCN(c2cccnn2)CC1 ZINC000357083255 353601427 /nfs/dbraw/zinc/60/14/27/353601427.db2.gz XZFZMPATSIDCAL-UHFFFAOYSA-N 2 1 251.334 -0.426 20 0 CBADMP C[C@H]([C@H](C)[N@H+](C)CCOCC[NH3+])S(C)(=O)=O ZINC000357081666 353601596 /nfs/dbraw/zinc/60/15/96/353601596.db2.gz WGHQKUNLUAREDV-VHSXEESVSA-N 2 1 252.380 -0.285 20 0 CBADMP C[C@H]([C@H](C)[N@@H+](C)CCOCC[NH3+])S(C)(=O)=O ZINC000357081666 353601599 /nfs/dbraw/zinc/60/15/99/353601599.db2.gz WGHQKUNLUAREDV-VHSXEESVSA-N 2 1 252.380 -0.285 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+](C)C ZINC000358063696 353623122 /nfs/dbraw/zinc/62/31/22/353623122.db2.gz ZMBUYSDCAWUQTL-DGCLKSJQSA-N 2 1 257.378 -0.245 20 0 CBADMP C[N@@H+]1CC[C@@](O)(CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000358079005 353625236 /nfs/dbraw/zinc/62/52/36/353625236.db2.gz NYUDBIFOFJRCHT-OAHLLOKOSA-N 2 1 299.415 -0.328 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000358079005 353625239 /nfs/dbraw/zinc/62/52/39/353625239.db2.gz NYUDBIFOFJRCHT-OAHLLOKOSA-N 2 1 299.415 -0.328 20 0 CBADMP CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000357900073 353613243 /nfs/dbraw/zinc/61/32/43/353613243.db2.gz BALMCPJXMAADGJ-SRVKXCTJSA-N 2 1 253.346 -0.596 20 0 CBADMP Cc1cccc(NCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)[nH+]1 ZINC000357930602 353615459 /nfs/dbraw/zinc/61/54/59/353615459.db2.gz OLXHFESIPCBIGH-WDEREUQCSA-N 2 1 264.329 -0.359 20 0 CBADMP Cc1cccc(NCCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)[nH+]1 ZINC000357930601 353615507 /nfs/dbraw/zinc/61/55/07/353615507.db2.gz OLXHFESIPCBIGH-QWRGUYRKSA-N 2 1 264.329 -0.359 20 0 CBADMP C[C@@H](CC(N)=O)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000361183400 353660529 /nfs/dbraw/zinc/66/05/29/353660529.db2.gz UVCWYXOIAAVCSF-LBPRGKRZSA-N 2 1 256.394 -0.133 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)C1 ZINC000361710738 353663327 /nfs/dbraw/zinc/66/33/27/353663327.db2.gz LYIKCFLSELIPDW-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP O=C1CNCCN1[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000362677000 353667568 /nfs/dbraw/zinc/66/75/68/353667568.db2.gz WPOMUVAIULHBJR-KBPBESRZSA-N 2 1 280.416 -0.118 20 0 CBADMP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CNC(=O)C[NH3+] ZINC000364223958 353671236 /nfs/dbraw/zinc/67/12/36/353671236.db2.gz BVGQNALPFOFJKH-WDEREUQCSA-N 2 1 268.361 -0.854 20 0 CBADMP CC1(C[NH+]2CCOCC2)CC[NH+](CC(N)=O)CC1 ZINC000371375345 353701462 /nfs/dbraw/zinc/70/14/62/353701462.db2.gz UNFBTRQTPVGTHK-UHFFFAOYSA-N 2 1 255.362 -0.094 20 0 CBADMP C[C@H]1CC(=O)NCCN1CCC[N@H+]1CCNC(=O)C[C@@H]1C ZINC000372333470 353715003 /nfs/dbraw/zinc/71/50/03/353715003.db2.gz OLPGDHDSRUFVHL-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000372366726 353715418 /nfs/dbraw/zinc/71/54/18/353715418.db2.gz CBTSXUVMBRSOAC-NWDGAFQWSA-N 2 1 270.377 -0.290 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000372505861 353717705 /nfs/dbraw/zinc/71/77/05/353717705.db2.gz NEJOWYJTWXIPQL-OBJOEFQTSA-N 2 1 267.373 -0.177 20 0 CBADMP C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000373251644 353729635 /nfs/dbraw/zinc/72/96/35/353729635.db2.gz XPEUGOSGQJVSDS-MCIONIFRSA-N 2 1 280.416 -0.358 20 0 CBADMP C[C@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000373251644 353729636 /nfs/dbraw/zinc/72/96/36/353729636.db2.gz XPEUGOSGQJVSDS-MCIONIFRSA-N 2 1 280.416 -0.358 20 0 CBADMP CCNC(=O)CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374802488 353749159 /nfs/dbraw/zinc/74/91/59/353749159.db2.gz WAILONZQWCOHEO-UHFFFAOYSA-N 2 1 299.415 -0.328 20 0 CBADMP C[NH+]1CCN(C(=O)CN2CCC[C@@]3(CNC(=O)O3)C2)CC1 ZINC000375568641 353763588 /nfs/dbraw/zinc/76/35/88/353763588.db2.gz DTKUFIKPNNCSCM-CQSZACIVSA-N 2 1 296.371 -0.665 20 0 CBADMP COCCC[N@H+]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000375961406 353769901 /nfs/dbraw/zinc/76/99/01/353769901.db2.gz BSESCTHCQNLKFQ-AWEZNQCLSA-N 2 1 299.415 -0.064 20 0 CBADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000407965933 353813940 /nfs/dbraw/zinc/81/39/40/353813940.db2.gz LNVVCOYSUOWNHE-OKILXGFUSA-N 2 1 271.405 -0.560 20 0 CBADMP OCCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000408152727 353859576 /nfs/dbraw/zinc/85/95/76/353859576.db2.gz DMELPAUUISBDIO-UHFFFAOYSA-N 2 1 258.362 -0.472 20 0 CBADMP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000412848206 353949710 /nfs/dbraw/zinc/94/97/10/353949710.db2.gz SDZCLPRYAFUDST-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000412848206 353949715 /nfs/dbraw/zinc/94/97/15/353949715.db2.gz SDZCLPRYAFUDST-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000412848206 353949718 /nfs/dbraw/zinc/94/97/18/353949718.db2.gz SDZCLPRYAFUDST-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000412848206 353949722 /nfs/dbraw/zinc/94/97/22/353949722.db2.gz SDZCLPRYAFUDST-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC[NH3+])C1 ZINC000416866919 353973685 /nfs/dbraw/zinc/97/36/85/353973685.db2.gz KTFXQZCIOWGGPX-LLVKDONJSA-N 2 1 258.366 -0.399 20 0 CBADMP C[NH2+]CCNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000416868687 353973991 /nfs/dbraw/zinc/97/39/91/353973991.db2.gz MERQUUBOUOFQPX-LBPRGKRZSA-N 2 1 272.393 -0.138 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000416995905 353974702 /nfs/dbraw/zinc/97/47/02/353974702.db2.gz LUBYZVZYCDDECN-LBPRGKRZSA-N 2 1 299.419 -0.567 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)NC(C)(C)C[NH3+] ZINC000417086885 353975674 /nfs/dbraw/zinc/97/56/74/353975674.db2.gz DGSRTMSBXUQQKN-UHFFFAOYSA-N 2 1 260.382 -0.009 20 0 CBADMP COCC[NH2+]CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000417290047 353976818 /nfs/dbraw/zinc/97/68/18/353976818.db2.gz WKILPQSLVMZVLF-LLVKDONJSA-N 2 1 258.366 -0.384 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000417443818 353977991 /nfs/dbraw/zinc/97/79/91/353977991.db2.gz AZZZUQNESUFRJH-NEPJUHHUSA-N 2 1 272.393 -0.057 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000417449405 353978062 /nfs/dbraw/zinc/97/80/62/353978062.db2.gz XWTLEEWAHSGQFG-LBPRGKRZSA-N 2 1 272.393 -0.137 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000417442540 353978065 /nfs/dbraw/zinc/97/80/65/353978065.db2.gz VAMXFOBKNDYTIY-RYUDHWBXSA-N 2 1 272.393 -0.044 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000417705479 353981363 /nfs/dbraw/zinc/98/13/63/353981363.db2.gz LYQYSYHJHPYFGE-NEPJUHHUSA-N 2 1 270.377 -0.160 20 0 CBADMP C[C@H](CNC(=O)N[C@H](C)CC[NH3+])C[NH+]1CCOCC1 ZINC000417736348 353982048 /nfs/dbraw/zinc/98/20/48/353982048.db2.gz WXLTYLDJVFLVRM-VXGBXAGGSA-N 2 1 272.393 -0.009 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000417715911 353982328 /nfs/dbraw/zinc/98/23/28/353982328.db2.gz TWYJNSPOWSIAJT-RYUDHWBXSA-N 2 1 270.377 -0.256 20 0 CBADMP C[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)C[NH+]1CCOCC1 ZINC000417735282 353982347 /nfs/dbraw/zinc/98/23/47/353982347.db2.gz VQRYVACRMQKADA-AAEUAGOBSA-N 2 1 284.404 -0.009 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000418411179 353997328 /nfs/dbraw/zinc/99/73/28/353997328.db2.gz PZXSZYRBXNEPIH-VXGBXAGGSA-N 2 1 272.393 -0.322 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000418411179 353997330 /nfs/dbraw/zinc/99/73/30/353997330.db2.gz PZXSZYRBXNEPIH-VXGBXAGGSA-N 2 1 272.393 -0.322 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)CCC[N@H+]1C ZINC000417993251 353985622 /nfs/dbraw/zinc/98/56/22/353985622.db2.gz AFOBPBGXJCBEKI-WOPDTQHZSA-N 2 1 270.377 -0.243 20 0 CBADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000418200412 353988651 /nfs/dbraw/zinc/98/86/51/353988651.db2.gz QBFQGHIUQSNLIW-ZDUSSCGKSA-N 2 1 285.436 -0.081 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418294927 353990903 /nfs/dbraw/zinc/99/09/03/353990903.db2.gz DHZSHPNNQCOHJM-LBPRGKRZSA-N 2 1 284.404 -0.164 20 0 CBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCC[NH3+] ZINC000418297148 353991928 /nfs/dbraw/zinc/99/19/28/353991928.db2.gz KJJSCWRFRUBTBO-UHFFFAOYSA-N 2 1 272.393 -0.055 20 0 CBADMP C[NH2+]CCNC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000418334841 353993768 /nfs/dbraw/zinc/99/37/68/353993768.db2.gz UMVHWLYYYALTCP-NSHDSACASA-N 2 1 286.376 -0.515 20 0 CBADMP C[NH2+]CCNC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000418334841 353993769 /nfs/dbraw/zinc/99/37/69/353993769.db2.gz UMVHWLYYYALTCP-NSHDSACASA-N 2 1 286.376 -0.515 20 0 CBADMP CC[NH2+]CCNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000418320844 353993781 /nfs/dbraw/zinc/99/37/81/353993781.db2.gz WNVGXXSSSYFLCZ-NSHDSACASA-N 2 1 258.366 -0.696 20 0 CBADMP CC[NH2+]CCNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000418320844 353993782 /nfs/dbraw/zinc/99/37/82/353993782.db2.gz WNVGXXSSSYFLCZ-NSHDSACASA-N 2 1 258.366 -0.696 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418328057 353993958 /nfs/dbraw/zinc/99/39/58/353993958.db2.gz AJXZSJWTUFHFLZ-STQMWFEESA-N 2 1 286.420 -0.012 20 0 CBADMP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418359311 353994744 /nfs/dbraw/zinc/99/47/44/353994744.db2.gz FBHPLGDGOLSNBX-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)N[C@H]1CC[NH2+]C1 ZINC000418374688 353994983 /nfs/dbraw/zinc/99/49/83/353994983.db2.gz GYCTUIHGMHYVQN-NWDGAFQWSA-N 2 1 270.377 -0.506 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000418368105 353995210 /nfs/dbraw/zinc/99/52/10/353995210.db2.gz RFJYYVGDXLJIDO-XQQFMLRXSA-N 2 1 286.420 -0.062 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000413826967 353958611 /nfs/dbraw/zinc/95/86/11/353958611.db2.gz ZYCDTARCPVLKRG-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000413826967 353958612 /nfs/dbraw/zinc/95/86/12/353958612.db2.gz ZYCDTARCPVLKRG-UONOGXRCSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000413826966 353958890 /nfs/dbraw/zinc/95/88/90/353958890.db2.gz ZYCDTARCPVLKRG-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000413826966 353958892 /nfs/dbraw/zinc/95/88/92/353958892.db2.gz ZYCDTARCPVLKRG-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000413850287 353958993 /nfs/dbraw/zinc/95/89/93/353958993.db2.gz BBUQGWWGVHLFQB-OLZOCXBDSA-N 2 1 284.404 -0.211 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000413850287 353958996 /nfs/dbraw/zinc/95/89/96/353958996.db2.gz BBUQGWWGVHLFQB-OLZOCXBDSA-N 2 1 284.404 -0.211 20 0 CBADMP CCC[NH2+]CCNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000418484501 353998894 /nfs/dbraw/zinc/99/88/94/353998894.db2.gz YRKWTVFLRGGYDJ-GFCCVEGCSA-N 2 1 272.393 -0.306 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418494445 353999471 /nfs/dbraw/zinc/99/94/71/353999471.db2.gz SEAIUXNAMYPJLF-LBPRGKRZSA-N 2 1 272.393 -0.055 20 0 CBADMP COCC1(CNC(=O)NCC(F)(F)C[NH3+])CC[NH2+]CC1 ZINC000418511005 353999877 /nfs/dbraw/zinc/99/98/77/353999877.db2.gz IROGXTSBZBGISZ-UHFFFAOYSA-N 2 1 294.346 -0.104 20 0 CBADMP C[C@H](C[NH3+])NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000418509762 354000363 /nfs/dbraw/zinc/00/03/63/354000363.db2.gz GVRUDCFZSIXMPO-MNOVXSKESA-N 2 1 272.393 -0.180 20 0 CBADMP C[C@H](C[NH3+])NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000418515356 354000901 /nfs/dbraw/zinc/00/09/01/354000901.db2.gz PYFHKLIQBGKMJV-MNOVXSKESA-N 2 1 272.393 -0.180 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418514533 354001410 /nfs/dbraw/zinc/00/14/10/354001410.db2.gz ARJSOQZLYBWCDG-NEPJUHHUSA-N 2 1 272.393 -0.130 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000418521989 354001614 /nfs/dbraw/zinc/00/16/14/354001614.db2.gz ITGAJQZDDQIMBY-SDDRHHMPSA-N 2 1 272.393 -0.180 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000418531988 354002130 /nfs/dbraw/zinc/00/21/30/354002130.db2.gz SJZHHDJEZPYNQC-NSHDSACASA-N 2 1 258.366 -0.303 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000418589525 354003753 /nfs/dbraw/zinc/00/37/53/354003753.db2.gz JEYWRENTMYJMHE-VXGBXAGGSA-N 2 1 272.393 -0.308 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000418620214 354004679 /nfs/dbraw/zinc/00/46/79/354004679.db2.gz PYFHKLIQBGKMJV-WDEREUQCSA-N 2 1 272.393 -0.180 20 0 CBADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418681061 354006015 /nfs/dbraw/zinc/00/60/15/354006015.db2.gz YGADGCWUPLERMN-WYUUTHIRSA-N 2 1 252.362 -0.203 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000418734391 354006326 /nfs/dbraw/zinc/00/63/26/354006326.db2.gz RYVUTCLEKYWUCU-RYUDHWBXSA-N 2 1 272.393 -0.130 20 0 CBADMP C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)[C@H](C)[NH3+] ZINC000418699291 354006385 /nfs/dbraw/zinc/00/63/85/354006385.db2.gz DSLSYDPWJXXSND-FIQHERPVSA-N 2 1 272.393 -0.181 20 0 CBADMP CC[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000418758248 354007198 /nfs/dbraw/zinc/00/71/98/354007198.db2.gz FJDGSFFXNIAUKE-LLVKDONJSA-N 2 1 256.350 -0.678 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC000418991438 354019975 /nfs/dbraw/zinc/01/99/75/354019975.db2.gz XSODMFFYCCKYEX-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CCCNC(=O)C(=O)NCC[NH3+])Cc1ccccc1 ZINC000418990040 354020518 /nfs/dbraw/zinc/02/05/18/354020518.db2.gz CJFMDAIJTNFWBL-UHFFFAOYSA-N 2 1 292.383 -0.300 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000419018325 354023687 /nfs/dbraw/zinc/02/36/87/354023687.db2.gz BWAHTNZIJWFIKK-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000419021379 354024412 /nfs/dbraw/zinc/02/44/12/354024412.db2.gz GZWPTELUEWBBJI-YNEHKIRRSA-N 2 1 298.431 -0.066 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419029677 354025609 /nfs/dbraw/zinc/02/56/09/354025609.db2.gz RTXLPUFYMNGGJM-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000419034444 354026212 /nfs/dbraw/zinc/02/62/12/354026212.db2.gz ZNRKALYWULQLBQ-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419083333 354027401 /nfs/dbraw/zinc/02/74/01/354027401.db2.gz WIFLUBHBRKGHRQ-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000419096697 354028621 /nfs/dbraw/zinc/02/86/21/354028621.db2.gz FBIOLWPGNQYMAH-PWSUYJOCSA-N 2 1 280.372 -0.983 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)C1CC1 ZINC000419114929 354029941 /nfs/dbraw/zinc/02/99/41/354029941.db2.gz XOKADKDPGYARDW-CYBMUJFWSA-N 2 1 296.415 -0.170 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCC[NH3+])C1 ZINC000419157362 354033977 /nfs/dbraw/zinc/03/39/77/354033977.db2.gz VCMAFRYMOUAHNU-ZDUSSCGKSA-N 2 1 298.431 -0.064 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[NH2+]1 ZINC000419159511 354034316 /nfs/dbraw/zinc/03/43/16/354034316.db2.gz ZKABQYJMYUFLFC-QWRGUYRKSA-N 2 1 280.372 -0.840 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000419221703 354038061 /nfs/dbraw/zinc/03/80/61/354038061.db2.gz KCDLEYYJRFNGJB-ZDUSSCGKSA-N 2 1 296.415 -0.146 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)C1 ZINC000419230770 354039255 /nfs/dbraw/zinc/03/92/55/354039255.db2.gz ZAPBILLMMRBIKA-CYBMUJFWSA-N 2 1 294.399 -0.425 20 0 CBADMP [NH3+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419224958 354039400 /nfs/dbraw/zinc/03/94/00/354039400.db2.gz GIJWIPNWDLUNIE-CYBMUJFWSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000419554689 354061568 /nfs/dbraw/zinc/06/15/68/354061568.db2.gz ICLKTGHIIQVXRG-SDDRHHMPSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)C[C@H]1[NH3+] ZINC000419562758 354061883 /nfs/dbraw/zinc/06/18/83/354061883.db2.gz VOXPFMWFVHZRDN-WRWGMCAJSA-N 2 1 282.388 -0.609 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419555105 354061912 /nfs/dbraw/zinc/06/19/12/354061912.db2.gz IYZWPIAGGBEZCK-TUAOUCFPSA-N 2 1 284.404 -0.443 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000419585696 354063518 /nfs/dbraw/zinc/06/35/18/354063518.db2.gz MAGXQZCAZKGGNK-QWRGUYRKSA-N 2 1 284.404 -0.443 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000419585674 354063545 /nfs/dbraw/zinc/06/35/45/354063545.db2.gz LWBCQIWODZHVKK-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419578549 354063715 /nfs/dbraw/zinc/06/37/15/354063715.db2.gz FCGZJWOQENOMPR-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000419585697 354063782 /nfs/dbraw/zinc/06/37/82/354063782.db2.gz MAGXQZCAZKGGNK-WDEREUQCSA-N 2 1 284.404 -0.443 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419582165 354064081 /nfs/dbraw/zinc/06/40/81/354064081.db2.gz JERYZAVKMHNHEY-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000419590904 354064882 /nfs/dbraw/zinc/06/48/82/354064882.db2.gz QUKZTBRORVYRGE-UWVGGRQHSA-N 2 1 270.377 -0.704 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419586300 354065157 /nfs/dbraw/zinc/06/51/57/354065157.db2.gz MTCCJHYHFBRRMK-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419596372 354065207 /nfs/dbraw/zinc/06/52/07/354065207.db2.gz YADWEWAPNASUBV-CHWSQXEVSA-N 2 1 296.415 -0.170 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)C(C)C ZINC000419872540 354087906 /nfs/dbraw/zinc/08/79/06/354087906.db2.gz YJPFANBVKFSFJG-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419689195 354069735 /nfs/dbraw/zinc/06/97/35/354069735.db2.gz ACZVNMSKRSNIIM-NWDGAFQWSA-N 2 1 296.415 -0.156 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000419694285 354070190 /nfs/dbraw/zinc/07/01/90/354070190.db2.gz KFWCEXWHRVDAME-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NCC(C)(C)[NH3+])C1CCCC1 ZINC000419689288 354070469 /nfs/dbraw/zinc/07/04/69/354070469.db2.gz AJZZZCGNOWOQIH-UHFFFAOYSA-N 2 1 284.404 -0.170 20 0 CBADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CC[NH2+]CC1 ZINC000419692079 354070554 /nfs/dbraw/zinc/07/05/54/354070554.db2.gz FQYKMVKKQVXWGN-LBPRGKRZSA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419700067 354071489 /nfs/dbraw/zinc/07/14/89/354071489.db2.gz WYRNGJCJLRTULO-NEPJUHHUSA-N 2 1 296.415 -0.027 20 0 CBADMP CN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419730105 354074111 /nfs/dbraw/zinc/07/41/11/354074111.db2.gz JFDZZFPECDUYCM-LBPRGKRZSA-N 2 1 282.388 -0.463 20 0 CBADMP [NH3+]CCCNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419732420 354074129 /nfs/dbraw/zinc/07/41/29/354074129.db2.gz MNHJOGDFWYIBAI-LBPRGKRZSA-N 2 1 282.388 -0.416 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419740889 354074695 /nfs/dbraw/zinc/07/46/95/354074695.db2.gz YOJGDECMYQFKOX-WCQYABFASA-N 2 1 296.415 -0.027 20 0 CBADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419740803 354074968 /nfs/dbraw/zinc/07/49/68/354074968.db2.gz YFHLRPSUDKADFD-AAEUAGOBSA-N 2 1 294.399 -0.402 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419766148 354075731 /nfs/dbraw/zinc/07/57/31/354075731.db2.gz RAGDHZBFFVZGLF-LBPRGKRZSA-N 2 1 286.420 -0.066 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000419770430 354076320 /nfs/dbraw/zinc/07/63/20/354076320.db2.gz FGPSUHHWHRKDKO-WDEREUQCSA-N 2 1 284.404 -0.314 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419768487 354076428 /nfs/dbraw/zinc/07/64/28/354076428.db2.gz UQCCVRYDXYCLQU-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000419785075 354077279 /nfs/dbraw/zinc/07/72/79/354077279.db2.gz YHBMNFHIWDOZPU-VXGBXAGGSA-N 2 1 298.431 -0.066 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419813310 354079593 /nfs/dbraw/zinc/07/95/93/354079593.db2.gz GWQJHQSBYPHEIG-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419821062 354080121 /nfs/dbraw/zinc/08/01/21/354080121.db2.gz KRSAFZTVZRQSIB-UPJWGTAASA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCC[NH3+] ZINC000419828343 354081495 /nfs/dbraw/zinc/08/14/95/354081495.db2.gz GKTRLBLNODXTBA-LLVKDONJSA-N 2 1 270.377 -0.750 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCC[NH3+] ZINC000419828343 354081496 /nfs/dbraw/zinc/08/14/96/354081496.db2.gz GKTRLBLNODXTBA-LLVKDONJSA-N 2 1 270.377 -0.750 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419837869 354082167 /nfs/dbraw/zinc/08/21/67/354082167.db2.gz XBHPEQHQRJACIV-YNEHKIRRSA-N 2 1 294.399 -0.402 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419838007 354082438 /nfs/dbraw/zinc/08/24/38/354082438.db2.gz DUSYNTNSJNCURI-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419838303 354083415 /nfs/dbraw/zinc/08/34/15/354083415.db2.gz FKVHJMJZIGKNJI-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000419846620 354083699 /nfs/dbraw/zinc/08/36/99/354083699.db2.gz RWGAUYKWJZZKBE-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000419846620 354083704 /nfs/dbraw/zinc/08/37/04/354083704.db2.gz RWGAUYKWJZZKBE-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000419846615 354084137 /nfs/dbraw/zinc/08/41/37/354084137.db2.gz RWGAUYKWJZZKBE-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000419846615 354084139 /nfs/dbraw/zinc/08/41/39/354084139.db2.gz RWGAUYKWJZZKBE-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000419846511 354084189 /nfs/dbraw/zinc/08/41/89/354084189.db2.gz QBDSWSHBWFEGTC-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC[NH2+]C)C[C@@H]1C ZINC000419882417 354088739 /nfs/dbraw/zinc/08/87/39/354088739.db2.gz XPTLZMCRZIQHMY-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC[NH2+]C)C[C@@H]1C ZINC000419882417 354088743 /nfs/dbraw/zinc/08/87/43/354088743.db2.gz XPTLZMCRZIQHMY-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000419294625 354044198 /nfs/dbraw/zinc/04/41/98/354044198.db2.gz BUQZXPIXRJXCAC-GFCCVEGCSA-N 2 1 295.387 -0.059 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419292338 354044459 /nfs/dbraw/zinc/04/44/59/354044459.db2.gz YHAYUKWCMREOAV-LBPRGKRZSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C[N@H+]1C1CC1 ZINC000419317463 354045586 /nfs/dbraw/zinc/04/55/86/354045586.db2.gz MUJGTFXBXAOBCB-GRYCIOLGSA-N 2 1 294.399 -0.452 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000419315453 354045910 /nfs/dbraw/zinc/04/59/10/354045910.db2.gz JWAOFWJGHLCLEH-SDDRHHMPSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419333496 354046852 /nfs/dbraw/zinc/04/68/52/354046852.db2.gz MGDOFNUKSBUJBS-MDZLAQPJSA-N 2 1 294.399 -0.594 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000419336952 354046869 /nfs/dbraw/zinc/04/68/69/354046869.db2.gz QCJIISMOYBNSNX-GVXVVHGQSA-N 2 1 296.415 -0.443 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419338005 354047014 /nfs/dbraw/zinc/04/70/14/354047014.db2.gz RRFQAWYDHDNRNA-GVXVVHGQSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419334317 354047169 /nfs/dbraw/zinc/04/71/69/354047169.db2.gz MZEHJUAWHNLHDE-ONGXEEELSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000419402632 354051333 /nfs/dbraw/zinc/05/13/33/354051333.db2.gz COUUKCLBNNUMLE-RYUDHWBXSA-N 2 1 282.388 -0.687 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000419410136 354052253 /nfs/dbraw/zinc/05/22/53/354052253.db2.gz OGJWYVLAHMURLR-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000419413093 354052599 /nfs/dbraw/zinc/05/25/99/354052599.db2.gz RPANLOUQGCZKOQ-LBPRGKRZSA-N 2 1 284.404 -0.440 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419408446 354052661 /nfs/dbraw/zinc/05/26/61/354052661.db2.gz LOMFVMBRSVINMG-DGCLKSJQSA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419417179 354053564 /nfs/dbraw/zinc/05/35/64/354053564.db2.gz WZGYEXWAIDQEFB-STQMWFEESA-N 2 1 296.415 -0.297 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C1CC1 ZINC000419524146 354057208 /nfs/dbraw/zinc/05/72/08/354057208.db2.gz PGZUOFFKFOFPEQ-ZYHUDNBSSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419524519 354058159 /nfs/dbraw/zinc/05/81/59/354058159.db2.gz PXLGORROQHOYSO-RYUDHWBXSA-N 2 1 286.420 -0.195 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1CC1 ZINC000419525213 354058361 /nfs/dbraw/zinc/05/83/61/354058361.db2.gz RCZDFQIULFOAQB-LBPRGKRZSA-N 2 1 284.404 -0.314 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)C1CC1 ZINC000419526492 354058589 /nfs/dbraw/zinc/05/85/89/354058589.db2.gz TYBXUERSPJXXQZ-LLVKDONJSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419527456 354058742 /nfs/dbraw/zinc/05/87/42/354058742.db2.gz VBVCQSDMHUHJKW-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000419529416 354058777 /nfs/dbraw/zinc/05/87/77/354058777.db2.gz XQHYSKJTLSOJSQ-NSHDSACASA-N 2 1 282.388 -0.545 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419541787 354059685 /nfs/dbraw/zinc/05/96/85/354059685.db2.gz DTXRCNSIFVJZQA-UTUOFQBUSA-N 2 1 284.404 -0.315 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)CCC[N@H+]1C ZINC000419563355 354061318 /nfs/dbraw/zinc/06/13/18/354061318.db2.gz WHKHSROFXYBJGC-WDEREUQCSA-N 2 1 282.388 -0.417 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000419886184 354089563 /nfs/dbraw/zinc/08/95/63/354089563.db2.gz IBQGNPILJGNGBN-ZDUSSCGKSA-N 2 1 294.399 -0.591 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000419886181 354089764 /nfs/dbraw/zinc/08/97/64/354089764.db2.gz IBQGNPILJGNGBN-CYBMUJFWSA-N 2 1 294.399 -0.591 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000419891546 354090602 /nfs/dbraw/zinc/09/06/02/354090602.db2.gz NDVHTGJXUNESSJ-GFCCVEGCSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000419891546 354090604 /nfs/dbraw/zinc/09/06/04/354090604.db2.gz NDVHTGJXUNESSJ-GFCCVEGCSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000419897867 354091961 /nfs/dbraw/zinc/09/19/61/354091961.db2.gz WKBZBHDVWRZEFG-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419939061 354094457 /nfs/dbraw/zinc/09/44/57/354094457.db2.gz QNGQRXRSIGNMDT-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)C[NH3+])C[C@H]1C ZINC000419944734 354095194 /nfs/dbraw/zinc/09/51/94/354095194.db2.gz BKBZGFVQOAIVGH-UTUOFQBUSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)C[NH3+])C[C@H]1C ZINC000419944734 354095197 /nfs/dbraw/zinc/09/51/97/354095197.db2.gz BKBZGFVQOAIVGH-UTUOFQBUSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000419951643 354096263 /nfs/dbraw/zinc/09/62/63/354096263.db2.gz IZDUUZZFFZQDDJ-LLVKDONJSA-N 2 1 282.388 -0.606 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419953552 354096632 /nfs/dbraw/zinc/09/66/32/354096632.db2.gz PVXQWFIHTXCIAN-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000419960271 354097189 /nfs/dbraw/zinc/09/71/89/354097189.db2.gz WDTYQMBXCCCJQE-STQMWFEESA-N 2 1 298.431 -0.243 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000419960271 354097190 /nfs/dbraw/zinc/09/71/90/354097190.db2.gz WDTYQMBXCCCJQE-STQMWFEESA-N 2 1 298.431 -0.243 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000419969918 354098282 /nfs/dbraw/zinc/09/82/82/354098282.db2.gz ATJNSLXVASPUJG-GFCCVEGCSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000419974541 354099157 /nfs/dbraw/zinc/09/91/57/354099157.db2.gz JPWBYUMABXRXNM-XQQFMLRXSA-N 2 1 298.431 -0.197 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000420000112 354101093 /nfs/dbraw/zinc/10/10/93/354101093.db2.gz PKKCBGUWHBDMTH-CHWSQXEVSA-N 2 1 298.431 -0.066 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000420000114 354101130 /nfs/dbraw/zinc/10/11/30/354101130.db2.gz PKKCBGUWHBDMTH-QWHCGFSZSA-N 2 1 298.431 -0.066 20 0 CBADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)C1CC1 ZINC000420038001 354105271 /nfs/dbraw/zinc/10/52/71/354105271.db2.gz MNNDQWDXRXCIRL-ZDUSSCGKSA-N 2 1 294.399 -0.463 20 0 CBADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000420036747 354105345 /nfs/dbraw/zinc/10/53/45/354105345.db2.gz LHFUUWUYEFRVKQ-ZDUSSCGKSA-N 2 1 294.399 -0.606 20 0 CBADMP CC(C)([NH3+])CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000420076345 354107006 /nfs/dbraw/zinc/10/70/06/354107006.db2.gz LYJUBXSWDOFKKN-UHFFFAOYSA-N 2 1 282.388 -0.606 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420070468 354107308 /nfs/dbraw/zinc/10/73/08/354107308.db2.gz CITZRNTVMSNPSX-UHFFFAOYSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000420152074 354113715 /nfs/dbraw/zinc/11/37/15/354113715.db2.gz DBPSANRCCPNSGI-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000420152074 354113719 /nfs/dbraw/zinc/11/37/19/354113719.db2.gz DBPSANRCCPNSGI-CHWSQXEVSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000420176769 354116024 /nfs/dbraw/zinc/11/60/24/354116024.db2.gz XOCHEWGVCLPUFH-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP CCOC(=O)c1c[nH+]ccc1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420232488 354119572 /nfs/dbraw/zinc/11/95/72/354119572.db2.gz AENMEYNBRVFZOD-SKDRFNHKSA-N 2 1 265.313 -0.328 20 0 CBADMP C[NH2+]C[C@H]1CCCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000420289675 354121683 /nfs/dbraw/zinc/12/16/83/354121683.db2.gz KSKTUAIRZDJYEJ-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000420299332 354121778 /nfs/dbraw/zinc/12/17/78/354121778.db2.gz ASOCNCZNIPNTCL-IHRRRGAJSA-N 2 1 280.416 -0.180 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000420299332 354121781 /nfs/dbraw/zinc/12/17/81/354121781.db2.gz ASOCNCZNIPNTCL-IHRRRGAJSA-N 3 1 280.416 -0.180 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000420299332 354121783 /nfs/dbraw/zinc/12/17/83/354121783.db2.gz ASOCNCZNIPNTCL-IHRRRGAJSA-N 3 1 280.416 -0.180 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000420291003 354121943 /nfs/dbraw/zinc/12/19/43/354121943.db2.gz MWRTWSVZHAZZFZ-JTQLQIEISA-N 2 1 257.334 -0.569 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@H]1C[NH3+] ZINC000420291003 354121944 /nfs/dbraw/zinc/12/19/44/354121944.db2.gz MWRTWSVZHAZZFZ-JTQLQIEISA-N 2 1 257.334 -0.569 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000420299331 354121998 /nfs/dbraw/zinc/12/19/98/354121998.db2.gz ASOCNCZNIPNTCL-BFHYXJOUSA-N 2 1 280.416 -0.180 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000420299331 354121999 /nfs/dbraw/zinc/12/19/99/354121999.db2.gz ASOCNCZNIPNTCL-BFHYXJOUSA-N 3 1 280.416 -0.180 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000420299331 354122000 /nfs/dbraw/zinc/12/20/00/354122000.db2.gz ASOCNCZNIPNTCL-BFHYXJOUSA-N 3 1 280.416 -0.180 20 0 CBADMP CNS(=O)(=O)CCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420354670 354124960 /nfs/dbraw/zinc/12/49/60/354124960.db2.gz BGHVMQIORFVNLQ-OUAUKWLOSA-N 2 1 263.407 -0.098 20 0 CBADMP COC(=O)CN(C)C(=O)CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420356791 354125660 /nfs/dbraw/zinc/12/56/60/354125660.db2.gz GLRYURQASVJXSP-SNVBAGLBSA-N 2 1 273.377 -0.029 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420398973 354126496 /nfs/dbraw/zinc/12/64/96/354126496.db2.gz HHVQUHWDNLEHDG-NEPJUHHUSA-N 2 1 285.388 -0.075 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000420398095 354126583 /nfs/dbraw/zinc/12/65/83/354126583.db2.gz YKIRHEBQXMPCLJ-ZIAGYGMSSA-N 2 1 298.431 -0.411 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)CC[NH3+])C1 ZINC000420375339 354126728 /nfs/dbraw/zinc/12/67/28/354126728.db2.gz IWXJIPCTICYBQR-CYBMUJFWSA-N 2 1 286.420 -0.650 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C[C@@H]1[NH3+] ZINC000423232997 354165876 /nfs/dbraw/zinc/16/58/76/354165876.db2.gz DAMBNIQKEFYXIQ-UTUOFQBUSA-N 2 1 282.388 -0.655 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC[NH2+]1 ZINC000423252605 354166985 /nfs/dbraw/zinc/16/69/85/354166985.db2.gz XTXXTRQWPVYKHU-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC000423247223 354167388 /nfs/dbraw/zinc/16/73/88/354167388.db2.gz QHXIJRDDUFIWAP-UPJWGTAASA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423247958 354167401 /nfs/dbraw/zinc/16/74/01/354167401.db2.gz QXQIBZDMTUUPIA-NWDGAFQWSA-N 2 1 282.388 -0.511 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000423324245 354168666 /nfs/dbraw/zinc/16/86/66/354168666.db2.gz KJAVYCCFQYNPBV-CQSZACIVSA-N 2 1 287.404 -0.303 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)C1 ZINC000423352483 354171301 /nfs/dbraw/zinc/17/13/01/354171301.db2.gz AYPYYSSLJYDKKS-STQMWFEESA-N 2 1 296.415 -0.395 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)C1 ZINC000423352483 354171305 /nfs/dbraw/zinc/17/13/05/354171305.db2.gz AYPYYSSLJYDKKS-STQMWFEESA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000423352233 354171691 /nfs/dbraw/zinc/17/16/91/354171691.db2.gz AAQNZXIITWQZOW-LLVKDONJSA-N 2 1 270.377 -0.798 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000423352233 354171694 /nfs/dbraw/zinc/17/16/94/354171694.db2.gz AAQNZXIITWQZOW-LLVKDONJSA-N 2 1 270.377 -0.798 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@@H]1C ZINC000423381736 354173734 /nfs/dbraw/zinc/17/37/34/354173734.db2.gz IICYCUQYSRZSHF-SFTQSGBHSA-N 2 1 267.373 -0.348 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@@H]1C ZINC000423381736 354173735 /nfs/dbraw/zinc/17/37/35/354173735.db2.gz IICYCUQYSRZSHF-SFTQSGBHSA-N 2 1 267.373 -0.348 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCC[NH2+]C)C[C@@H]1C ZINC000423391650 354174590 /nfs/dbraw/zinc/17/45/90/354174590.db2.gz PLZHTQXHYSUQEH-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCC[NH2+]C)C[C@@H]1C ZINC000423391650 354174594 /nfs/dbraw/zinc/17/45/94/354174594.db2.gz PLZHTQXHYSUQEH-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[NH2+]C)C[C@H]1C ZINC000423391163 354174763 /nfs/dbraw/zinc/17/47/63/354174763.db2.gz PLZHTQXHYSUQEH-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[NH2+]C)C[C@H]1C ZINC000423391163 354174764 /nfs/dbraw/zinc/17/47/64/354174764.db2.gz PLZHTQXHYSUQEH-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[N@@H+]1C ZINC000421006247 354139424 /nfs/dbraw/zinc/13/94/24/354139424.db2.gz PVAATAHFLQSWOG-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[N@H+]1C ZINC000421006247 354139425 /nfs/dbraw/zinc/13/94/25/354139425.db2.gz PVAATAHFLQSWOG-CYBMUJFWSA-N 2 1 268.405 -0.214 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000422044299 354142529 /nfs/dbraw/zinc/14/25/29/354142529.db2.gz XLPBOUBCFYIDJG-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000422044299 354142531 /nfs/dbraw/zinc/14/25/31/354142531.db2.gz XLPBOUBCFYIDJG-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000422044299 354142535 /nfs/dbraw/zinc/14/25/35/354142535.db2.gz XLPBOUBCFYIDJG-KBPBESRZSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422268776 354144252 /nfs/dbraw/zinc/14/42/52/354144252.db2.gz KTQAJJRYCYBTQE-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000422977051 354159744 /nfs/dbraw/zinc/15/97/44/354159744.db2.gz WBCOCFUORWVVNV-NEPJUHHUSA-N 2 1 282.388 -0.608 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000423013088 354160444 /nfs/dbraw/zinc/16/04/44/354160444.db2.gz MAEPDZSJOHDGAD-UHFFFAOYSA-N 2 1 296.415 -0.264 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423121209 354162370 /nfs/dbraw/zinc/16/23/70/354162370.db2.gz IGIFVNYRYFPJNB-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000423607035 354184088 /nfs/dbraw/zinc/18/40/88/354184088.db2.gz IURHSCMGBRIGNR-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000423607029 354184108 /nfs/dbraw/zinc/18/41/08/354184108.db2.gz IURHSCMGBRIGNR-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)C1 ZINC000423615663 354184673 /nfs/dbraw/zinc/18/46/73/354184673.db2.gz VBKSQANWWZZWMN-GFCCVEGCSA-N 2 1 282.388 -0.641 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423615660 354185012 /nfs/dbraw/zinc/18/50/12/354185012.db2.gz ZBJBNPXZJQICMN-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423642772 354188548 /nfs/dbraw/zinc/18/85/48/354188548.db2.gz IMMODSFXCOCMMH-GFCCVEGCSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)[C@@H](C)C[NH2+]1 ZINC000423652221 354188882 /nfs/dbraw/zinc/18/88/82/354188882.db2.gz NDEPQBBYVUVOTP-NEPJUHHUSA-N 2 1 296.415 -0.252 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423724192 354193984 /nfs/dbraw/zinc/19/39/84/354193984.db2.gz MIAPSNBEOULSHM-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000423731268 354195096 /nfs/dbraw/zinc/19/50/96/354195096.db2.gz YSZVYVRHRQAPCX-GARJFASQSA-N 2 1 270.377 -0.657 20 0 CBADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000423731268 354195098 /nfs/dbraw/zinc/19/50/98/354195098.db2.gz YSZVYVRHRQAPCX-GARJFASQSA-N 2 1 270.377 -0.657 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000423741272 354195666 /nfs/dbraw/zinc/19/56/66/354195666.db2.gz SQUBOUHAUUSIHQ-FVCCEPFGSA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000423741272 354195668 /nfs/dbraw/zinc/19/56/68/354195668.db2.gz SQUBOUHAUUSIHQ-FVCCEPFGSA-N 2 1 296.415 -0.267 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000423780301 354199652 /nfs/dbraw/zinc/19/96/52/354199652.db2.gz GKNHODZNJKLQOM-NEPJUHHUSA-N 2 1 285.388 -0.062 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000423780303 354199660 /nfs/dbraw/zinc/19/96/60/354199660.db2.gz GKNHODZNJKLQOM-NWDGAFQWSA-N 2 1 285.388 -0.062 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423857848 354201570 /nfs/dbraw/zinc/20/15/70/354201570.db2.gz BGTGMAIXCCFBGY-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423857848 354201574 /nfs/dbraw/zinc/20/15/74/354201574.db2.gz BGTGMAIXCCFBGY-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP CC[C@@H]1CN(C(=O)COC2C[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000423864333 354203414 /nfs/dbraw/zinc/20/34/14/354203414.db2.gz BQWGWWFPXJHIJV-OCCSQVGLSA-N 2 1 297.399 -0.456 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@@H](C)[NH3+])C[C@@H]1C ZINC000423885523 354204474 /nfs/dbraw/zinc/20/44/74/354204474.db2.gz DSYUPTHJFDOYJA-MNOVXSKESA-N 2 1 271.361 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@@H](C)[NH3+])C[C@@H]1C ZINC000423885523 354204476 /nfs/dbraw/zinc/20/44/76/354204476.db2.gz DSYUPTHJFDOYJA-MNOVXSKESA-N 2 1 271.361 -0.181 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423998359 354206956 /nfs/dbraw/zinc/20/69/56/354206956.db2.gz ZKRGZNMZMABUOD-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000424197049 354218081 /nfs/dbraw/zinc/21/80/81/354218081.db2.gz WAWWQOCWYOEJKZ-UPJWGTAASA-N 2 1 297.399 -0.423 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424129055 354209630 /nfs/dbraw/zinc/20/96/30/354209630.db2.gz FYWYXBUUNXUXMH-NWDGAFQWSA-N 2 1 292.387 -0.116 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@H+]1C[C@H](C)O ZINC000424141124 354210888 /nfs/dbraw/zinc/21/08/88/354210888.db2.gz GVHAJDFXMWUEGJ-QCNOEVLYSA-N 2 1 255.362 -0.363 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424153403 354212342 /nfs/dbraw/zinc/21/23/42/354212342.db2.gz KYHVMMNKTHTKDY-NEPJUHHUSA-N 2 1 254.378 -0.523 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](C)C1 ZINC000424163584 354213334 /nfs/dbraw/zinc/21/33/34/354213334.db2.gz AJVLHZBTDQENEV-AXFHLTTASA-N 2 1 269.345 -0.571 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](C)C1 ZINC000424163584 354213336 /nfs/dbraw/zinc/21/33/36/354213336.db2.gz AJVLHZBTDQENEV-AXFHLTTASA-N 2 1 269.345 -0.571 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424179592 354215783 /nfs/dbraw/zinc/21/57/83/354215783.db2.gz ZCIIRHIOJDAGNQ-MXWKQRLJSA-N 2 1 269.345 -0.571 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428195719 354246161 /nfs/dbraw/zinc/24/61/61/354246161.db2.gz YLLXGMKGDJZEHB-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CN(C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000436044762 354255857 /nfs/dbraw/zinc/25/58/57/354255857.db2.gz CFEGIEBLSFZLJG-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP CN(C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000436044762 354255859 /nfs/dbraw/zinc/25/58/59/354255859.db2.gz CFEGIEBLSFZLJG-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP Cn1cc([C@@H]2CN(CCC[NH+]3CCOCC3)C[C@H]2[NH3+])cn1 ZINC000424290160 354222759 /nfs/dbraw/zinc/22/27/59/354222759.db2.gz KVIMBFBOFUIRHV-LSDHHAIUSA-N 2 1 293.415 -0.131 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000446363757 354286585 /nfs/dbraw/zinc/28/65/85/354286585.db2.gz OAMZYISDLZVZPQ-TUAOUCFPSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000446363757 354286586 /nfs/dbraw/zinc/28/65/86/354286586.db2.gz OAMZYISDLZVZPQ-TUAOUCFPSA-N 2 1 255.362 -0.491 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000446362791 354286883 /nfs/dbraw/zinc/28/68/83/354286883.db2.gz IZMVHIBOWXYWSV-NWDGAFQWSA-N 2 1 272.368 -0.560 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000447436576 354298897 /nfs/dbraw/zinc/29/88/97/354298897.db2.gz ADOBDMVSULDHMT-ADEWGFFLSA-N 2 1 255.362 -0.051 20 0 CBADMP O=C(NCCC[NH+]1CCCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000448595396 354315824 /nfs/dbraw/zinc/31/58/24/354315824.db2.gz HLGFWTFLDPAKIM-CQSZACIVSA-N 2 1 280.416 -0.022 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000449753192 354321455 /nfs/dbraw/zinc/32/14/55/354321455.db2.gz OCPPMRPQKDEHKZ-GHMZBOCLSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000449753192 354321458 /nfs/dbraw/zinc/32/14/58/354321458.db2.gz OCPPMRPQKDEHKZ-GHMZBOCLSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@H](C)[NH3+])C[C@@H]1C ZINC000423885528 291025893 /nfs/dbraw/zinc/02/58/93/291025893.db2.gz DSYUPTHJFDOYJA-QWRGUYRKSA-N 2 1 271.361 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@H](C)[NH3+])C[C@@H]1C ZINC000423885528 291025895 /nfs/dbraw/zinc/02/58/95/291025895.db2.gz DSYUPTHJFDOYJA-QWRGUYRKSA-N 2 1 271.361 -0.181 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000452382873 354349348 /nfs/dbraw/zinc/34/93/48/354349348.db2.gz NKZRQSSHPFAAJG-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000452382873 354349350 /nfs/dbraw/zinc/34/93/50/354349350.db2.gz NKZRQSSHPFAAJG-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000452382873 354349353 /nfs/dbraw/zinc/34/93/53/354349353.db2.gz NKZRQSSHPFAAJG-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000452382873 354349357 /nfs/dbraw/zinc/34/93/57/354349357.db2.gz NKZRQSSHPFAAJG-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000459040255 354381857 /nfs/dbraw/zinc/38/18/57/354381857.db2.gz LFXFFYMNDBETHX-RYUDHWBXSA-N 2 1 272.393 -0.356 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N(C)CC[NH+](C)C ZINC000459902591 354393367 /nfs/dbraw/zinc/39/33/67/354393367.db2.gz VZLNMZPPWCTDGV-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479294245 354407187 /nfs/dbraw/zinc/40/71/87/354407187.db2.gz IGHLPHANNUMEDP-MVWJERBFSA-N 2 1 266.345 -0.333 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479279196 354407464 /nfs/dbraw/zinc/40/74/64/354407464.db2.gz IKENJHYZPILXDX-KXNHARMFSA-N 2 1 253.346 -0.548 20 0 CBADMP C[C@@H]1[C@H](CO)CC[NH+]1C[C@@H](O)C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000488743438 354427015 /nfs/dbraw/zinc/42/70/15/354427015.db2.gz IGNLASADOKKTGM-ZSAUSMIDSA-N 2 1 286.416 -0.247 20 0 CBADMP C[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H](O)C[NH+]1CC[C@H](CO)[C@H]1C ZINC000488743438 354427016 /nfs/dbraw/zinc/42/70/16/354427016.db2.gz IGNLASADOKKTGM-ZSAUSMIDSA-N 2 1 286.416 -0.247 20 0 CBADMP C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](O)C[NH+]1CC[C@H](CO)[C@H]1C ZINC000488743438 354427018 /nfs/dbraw/zinc/42/70/18/354427018.db2.gz IGNLASADOKKTGM-ZSAUSMIDSA-N 2 1 286.416 -0.247 20 0 CBADMP C[NH+](C)C/C=C/C(=O)NCCC[NH+]1CCOCC1 ZINC000491893225 354462862 /nfs/dbraw/zinc/46/28/62/354462862.db2.gz OIAJMHZDWIYQQE-HWKANZROSA-N 2 1 255.362 -0.057 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000492136133 354467670 /nfs/dbraw/zinc/46/76/70/354467670.db2.gz RQVCWABGHUJOEF-WAYWQWQTSA-N 2 1 296.415 -0.273 20 0 CBADMP COC(=O)N1CC(NC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000496206580 354537224 /nfs/dbraw/zinc/53/72/24/354537224.db2.gz NKHPRGABMQFHEV-UHFFFAOYSA-N 2 1 299.375 -0.727 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000516065942 354556667 /nfs/dbraw/zinc/55/66/67/354556667.db2.gz ZIYOWUFKUYUPJW-LLVKDONJSA-N 2 1 271.361 -0.321 20 0 CBADMP CNC(=O)CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000519547635 354562685 /nfs/dbraw/zinc/56/26/85/354562685.db2.gz QMMQMCVNDIBWQM-UHFFFAOYSA-N 2 1 269.389 -0.051 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000521986558 354570428 /nfs/dbraw/zinc/57/04/28/354570428.db2.gz LNVUHBLYANQEMA-WDEREUQCSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C)CCO)CC2)O1 ZINC000527549091 354579701 /nfs/dbraw/zinc/57/97/01/354579701.db2.gz KZLROXVIBBIDFV-TZMCWYRMSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C)CCO)CC2)O1 ZINC000527549091 354579703 /nfs/dbraw/zinc/57/97/03/354579703.db2.gz KZLROXVIBBIDFV-TZMCWYRMSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C)CCO)CC2)O1 ZINC000527549091 354579706 /nfs/dbraw/zinc/57/97/06/354579706.db2.gz KZLROXVIBBIDFV-TZMCWYRMSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C)CCO)CC2)O1 ZINC000527549091 354579709 /nfs/dbraw/zinc/57/97/09/354579709.db2.gz KZLROXVIBBIDFV-TZMCWYRMSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000529311278 354583274 /nfs/dbraw/zinc/58/32/74/354583274.db2.gz DHORVBCPQDZFGQ-UTUOFQBUSA-N 2 1 270.377 -0.243 20 0 CBADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000529309032 354583461 /nfs/dbraw/zinc/58/34/61/354583461.db2.gz XSEGAETUCOGANK-KGLIPLIRSA-N 2 1 297.447 -0.128 20 0 CBADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000529309030 354583703 /nfs/dbraw/zinc/58/37/03/354583703.db2.gz XSEGAETUCOGANK-KBPBESRZSA-N 2 1 297.447 -0.128 20 0 CBADMP CN(CC[NH+](C)C)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000534278509 354596010 /nfs/dbraw/zinc/59/60/10/354596010.db2.gz PERYZNUUWJTMDD-LBPRGKRZSA-N 2 1 254.378 -0.604 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000541818823 354627464 /nfs/dbraw/zinc/62/74/64/354627464.db2.gz GUVDISFMWVZHIX-CYBMUJFWSA-N 2 1 285.436 -0.175 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000545176911 354643637 /nfs/dbraw/zinc/64/36/37/354643637.db2.gz WHLTTYNYZALRQF-OAHLLOKOSA-N 2 1 296.415 -0.021 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000547296320 354657748 /nfs/dbraw/zinc/65/77/48/354657748.db2.gz XIDABEJPAWDJOR-GUTXKFCHSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000547296320 354657750 /nfs/dbraw/zinc/65/77/50/354657750.db2.gz XIDABEJPAWDJOR-GUTXKFCHSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000547296320 354657752 /nfs/dbraw/zinc/65/77/52/354657752.db2.gz XIDABEJPAWDJOR-GUTXKFCHSA-N 2 1 296.415 -0.021 20 0 CBADMP CC(C)NS(=O)(=O)CCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000562988437 354690612 /nfs/dbraw/zinc/69/06/12/354690612.db2.gz ZRFQIPGOJLTNTJ-GFCCVEGCSA-N 2 1 293.433 -0.641 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000563091977 354695931 /nfs/dbraw/zinc/69/59/31/354695931.db2.gz HZDIXIIHFUFYRK-ONGXEEELSA-N 2 1 269.345 -0.523 20 0 CBADMP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000563117006 354697588 /nfs/dbraw/zinc/69/75/88/354697588.db2.gz RGVNITXEABCISX-KGLIPLIRSA-N 2 1 297.399 -0.266 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@H](C)[N@H+]1C ZINC000563131579 354698151 /nfs/dbraw/zinc/69/81/51/354698151.db2.gz ZOZUVHHEONBVBW-BETUJISGSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@H](C)[N@@H+]1C ZINC000563131579 354698155 /nfs/dbraw/zinc/69/81/55/354698155.db2.gz ZOZUVHHEONBVBW-BETUJISGSA-N 2 1 298.431 -0.053 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CC1(CO)CCOCC1)C1CC1 ZINC000563144746 354699060 /nfs/dbraw/zinc/69/90/60/354699060.db2.gz XKYNBYPHECAJCR-CYBMUJFWSA-N 2 1 272.389 -0.180 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(CO)CCOCC1)C1CC1 ZINC000563144746 354699062 /nfs/dbraw/zinc/69/90/62/354699062.db2.gz XKYNBYPHECAJCR-CYBMUJFWSA-N 2 1 272.389 -0.180 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000563160529 354701096 /nfs/dbraw/zinc/70/10/96/354701096.db2.gz VKJGXWBXADEVLF-DYEKYZERSA-N 2 1 298.431 -0.116 20 0 CBADMP C[N@H+]1CCC[C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000563198270 354702102 /nfs/dbraw/zinc/70/21/02/354702102.db2.gz NEOXQXSRUSPDGZ-NWDGAFQWSA-N 2 1 282.388 -0.687 20 0 CBADMP COC[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000563882152 354707165 /nfs/dbraw/zinc/70/71/65/354707165.db2.gz YGUQCPNWLHODML-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000563882152 354707167 /nfs/dbraw/zinc/70/71/67/354707167.db2.gz YGUQCPNWLHODML-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000564944238 354722293 /nfs/dbraw/zinc/72/22/93/354722293.db2.gz GVAJDKXHDHFETJ-UHFFFAOYSA-N 2 1 281.364 -0.505 20 0 CBADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC3CCOCC3)CCN2C1=O ZINC000565233704 354733880 /nfs/dbraw/zinc/73/38/80/354733880.db2.gz OXGCEKOEVFXQSS-NEPJUHHUSA-N 2 1 253.346 -0.343 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000564957215 354722754 /nfs/dbraw/zinc/72/27/54/354722754.db2.gz FVAJGJNABIALRJ-ZWNOBZJWSA-N 2 1 286.351 -0.985 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000564969459 354723021 /nfs/dbraw/zinc/72/30/21/354723021.db2.gz XUSUXRPVRRQZHQ-CHWSQXEVSA-N 3 1 268.405 -0.227 20 0 CBADMP CN1CCN(C(=O)CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000564986656 354723665 /nfs/dbraw/zinc/72/36/65/354723665.db2.gz BTSOWMQTJRNGAE-KBPBESRZSA-N 3 1 280.416 -0.308 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000564986656 354723666 /nfs/dbraw/zinc/72/36/66/354723666.db2.gz BTSOWMQTJRNGAE-KBPBESRZSA-N 2 1 280.416 -0.308 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000564989357 354724433 /nfs/dbraw/zinc/72/44/33/354724433.db2.gz MUISKBCAAAGCNT-NWDGAFQWSA-N 3 1 254.378 -0.523 20 0 CBADMP C[C@H]1C[N@H+](CCC(=O)N2CCNCC2)CC[C@H]1[NH3+] ZINC000564989357 354724438 /nfs/dbraw/zinc/72/44/38/354724438.db2.gz MUISKBCAAAGCNT-NWDGAFQWSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CCNCC2)CC[C@H]1[NH3+] ZINC000564989357 354724441 /nfs/dbraw/zinc/72/44/41/354724441.db2.gz MUISKBCAAAGCNT-NWDGAFQWSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000564989356 354724539 /nfs/dbraw/zinc/72/45/39/354724539.db2.gz MUISKBCAAAGCNT-NEPJUHHUSA-N 3 1 254.378 -0.523 20 0 CBADMP C[C@@H]1C[N@H+](CCC(=O)N2CCNCC2)CC[C@@H]1[NH3+] ZINC000564989356 354724545 /nfs/dbraw/zinc/72/45/45/354724545.db2.gz MUISKBCAAAGCNT-NEPJUHHUSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CCNCC2)CC[C@@H]1[NH3+] ZINC000564989356 354724547 /nfs/dbraw/zinc/72/45/47/354724547.db2.gz MUISKBCAAAGCNT-NEPJUHHUSA-N 2 1 254.378 -0.523 20 0 CBADMP COC[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000564988639 354725044 /nfs/dbraw/zinc/72/50/44/354725044.db2.gz KQDYJCKYGLVODN-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000564996653 354725721 /nfs/dbraw/zinc/72/57/21/354725721.db2.gz HNOPOOGGKDQIRK-UWVGGRQHSA-N 2 1 251.334 -0.370 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000556359162 354679334 /nfs/dbraw/zinc/67/93/34/354679334.db2.gz AAZXDGOJHDEZPC-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000556359162 354679336 /nfs/dbraw/zinc/67/93/36/354679336.db2.gz AAZXDGOJHDEZPC-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000556359162 354679338 /nfs/dbraw/zinc/67/93/38/354679338.db2.gz AAZXDGOJHDEZPC-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000556359162 354679342 /nfs/dbraw/zinc/67/93/42/354679342.db2.gz AAZXDGOJHDEZPC-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000565774173 354745822 /nfs/dbraw/zinc/74/58/22/354745822.db2.gz XBACSBMQDDAZBO-GFCCVEGCSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000565774173 354745824 /nfs/dbraw/zinc/74/58/24/354745824.db2.gz XBACSBMQDDAZBO-GFCCVEGCSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000565930932 354748786 /nfs/dbraw/zinc/74/87/86/354748786.db2.gz ZXGXOLUJJDKILU-LSDHHAIUSA-N 2 1 285.432 -0.047 20 0 CBADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC000565898280 354748944 /nfs/dbraw/zinc/74/89/44/354748944.db2.gz ZODJBQOZWUCBAJ-AWEZNQCLSA-N 2 1 280.372 -0.044 20 0 CBADMP C[N@H+]1CCC[C@]2(CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC000565898280 354748947 /nfs/dbraw/zinc/74/89/47/354748947.db2.gz ZODJBQOZWUCBAJ-AWEZNQCLSA-N 2 1 280.372 -0.044 20 0 CBADMP C[NH+]1CCC[C@]2(CC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC000565898280 354748949 /nfs/dbraw/zinc/74/89/49/354748949.db2.gz ZODJBQOZWUCBAJ-AWEZNQCLSA-N 2 1 280.372 -0.044 20 0 CBADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC000565898280 354748952 /nfs/dbraw/zinc/74/89/52/354748952.db2.gz ZODJBQOZWUCBAJ-AWEZNQCLSA-N 2 1 280.372 -0.044 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](C[NH3+])OC)CC1 ZINC000566007803 354749527 /nfs/dbraw/zinc/74/95/27/354749527.db2.gz SOMSIZOORIGMIB-QWRGUYRKSA-N 2 1 287.360 -0.944 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CCNC(=O)c1cnccn1)C1CC1 ZINC000566110841 354753812 /nfs/dbraw/zinc/75/38/12/354753812.db2.gz ROHKJDUYANGINK-GFCCVEGCSA-N 2 1 293.371 -0.749 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CCNC(=O)c1cnccn1)C1CC1 ZINC000566110841 354753813 /nfs/dbraw/zinc/75/38/13/354753813.db2.gz ROHKJDUYANGINK-GFCCVEGCSA-N 2 1 293.371 -0.749 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000566192613 354756123 /nfs/dbraw/zinc/75/61/23/354756123.db2.gz OXHOWYHZCBPTQV-TUAOUCFPSA-N 2 1 299.419 -0.249 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000566206115 354756961 /nfs/dbraw/zinc/75/69/61/354756961.db2.gz QYKDTDYKCHHZKM-QWHCGFSZSA-N 2 1 278.356 -0.082 20 0 CBADMP C[C@@H](C(=O)N1CC[NH2+]C[C@H]1C)N1CC[NH+](C)CC1 ZINC000566248683 354759782 /nfs/dbraw/zinc/75/97/82/354759782.db2.gz HZGFAZHSHXRGFS-NEPJUHHUSA-N 2 1 254.378 -0.557 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000566286675 354761570 /nfs/dbraw/zinc/76/15/70/354761570.db2.gz QUSLDYJRPYLVNA-SDDRHHMPSA-N 2 1 282.388 -0.573 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(CO)CCSCC1 ZINC000566428376 354766197 /nfs/dbraw/zinc/76/61/97/354766197.db2.gz DRLLIPFMUCVRQD-LBPRGKRZSA-N 2 1 292.445 -0.227 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(CO)CCSCC1 ZINC000566428376 354766200 /nfs/dbraw/zinc/76/62/00/354766200.db2.gz DRLLIPFMUCVRQD-LBPRGKRZSA-N 2 1 292.445 -0.227 20 0 CBADMP COC[C@H](O)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000566620232 354771644 /nfs/dbraw/zinc/77/16/44/354771644.db2.gz TUBPSHUDIKMZSN-QWHCGFSZSA-N 2 1 260.378 -0.180 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000567613897 354791794 /nfs/dbraw/zinc/79/17/94/354791794.db2.gz SSUNPSPVUAQLHY-LOWDOPEQSA-N 2 1 296.415 -0.077 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000567047097 354779400 /nfs/dbraw/zinc/77/94/00/354779400.db2.gz JVOXRIRMXLMNTC-QWHCGFSZSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000567165741 354782513 /nfs/dbraw/zinc/78/25/13/354782513.db2.gz WSZIVWFIORPTDL-CYBMUJFWSA-N 2 1 268.405 -0.118 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000567262420 354783893 /nfs/dbraw/zinc/78/38/93/354783893.db2.gz OAOXPKWFCHJEGB-CABCVRRESA-N 2 1 286.464 -0.085 20 0 CBADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC[N@@H+]1CC=CCC1 ZINC000567468941 354788857 /nfs/dbraw/zinc/78/88/57/354788857.db2.gz IECWWAPQVJOVHP-CYBMUJFWSA-N 2 1 294.399 -0.377 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000565256037 354735271 /nfs/dbraw/zinc/73/52/71/354735271.db2.gz YJZDVHOXOWJHJV-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH2+]CCC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000565420850 354737680 /nfs/dbraw/zinc/73/76/80/354737680.db2.gz RNFKDOHNGGFEMU-UHFFFAOYSA-N 2 1 268.405 -0.072 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000565718517 354744841 /nfs/dbraw/zinc/74/48/41/354744841.db2.gz JUGUZTLWEVHAHZ-SDDRHHMPSA-N 2 1 255.362 -0.192 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000567838136 354799922 /nfs/dbraw/zinc/79/99/22/354799922.db2.gz PCQLDZKWIUJSOE-NWDGAFQWSA-N 2 1 264.329 -0.472 20 0 CBADMP [NH3+]CCC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000567845310 354800908 /nfs/dbraw/zinc/80/09/08/354800908.db2.gz SNNIPTDYLQKDGX-UHFFFAOYSA-N 2 1 254.378 -0.332 20 0 CBADMP CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000567894869 354803666 /nfs/dbraw/zinc/80/36/66/354803666.db2.gz ZOZMPEOCJSGZSW-NSHDSACASA-N 2 1 279.406 -0.636 20 0 CBADMP CCC(=O)N[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000567897478 354804009 /nfs/dbraw/zinc/80/40/09/354804009.db2.gz UMBONDGFMOFUPB-ZDUSSCGKSA-N 2 1 268.405 -0.118 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567975352 354806915 /nfs/dbraw/zinc/80/69/15/354806915.db2.gz RHFLVSKMGCRNRA-GRYCIOLGSA-N 2 1 255.362 -0.049 20 0 CBADMP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000567973975 354807241 /nfs/dbraw/zinc/80/72/41/354807241.db2.gz CRPUFNTYYUQARS-MVWJERBFSA-N 2 1 255.362 -0.038 20 0 CBADMP [NH3+]Cc1nc(C(=O)NCCN2CC[NH2+]CC2)cs1 ZINC000568864321 354833823 /nfs/dbraw/zinc/83/38/23/354833823.db2.gz MMUOLQWZDBSSCN-UHFFFAOYSA-N 2 1 269.374 -0.763 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000568392602 354823817 /nfs/dbraw/zinc/82/38/17/354823817.db2.gz MZPINPTYQXZYKN-NSHDSACASA-N 2 1 298.387 -0.481 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000568527150 354826389 /nfs/dbraw/zinc/82/63/89/354826389.db2.gz QKCZNADIXDXYKV-GHMZBOCLSA-N 2 1 271.361 -0.181 20 0 CBADMP CN(C[C@@H](O)C[NH2+][C@H](CO)Cc1cnn(C)c1)C1CC1 ZINC000570803386 354869822 /nfs/dbraw/zinc/86/98/22/354869822.db2.gz QMPGCQHSECWZAI-JSGCOSHPSA-N 2 1 282.388 -0.632 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000570860011 354871511 /nfs/dbraw/zinc/87/15/11/354871511.db2.gz SYQBOEPQGZXHFZ-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000570860011 354871513 /nfs/dbraw/zinc/87/15/13/354871513.db2.gz SYQBOEPQGZXHFZ-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000571031363 354875749 /nfs/dbraw/zinc/87/57/49/354875749.db2.gz IZYUNEXYCVOXMO-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)CC[C@@H]1[NH3+] ZINC000571047363 354875939 /nfs/dbraw/zinc/87/59/39/354875939.db2.gz VAFLOCMOXHSTNJ-OLZOCXBDSA-N 3 1 268.405 -0.180 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000571047363 354875944 /nfs/dbraw/zinc/87/59/44/354875944.db2.gz VAFLOCMOXHSTNJ-OLZOCXBDSA-N 3 1 268.405 -0.180 20 0 CBADMP C[C@]1(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)CC[NH2+]C1 ZINC000568984832 354836433 /nfs/dbraw/zinc/83/64/33/354836433.db2.gz XAVLUZBLZWJZBJ-GVXVVHGQSA-N 2 1 253.346 -0.425 20 0 CBADMP C[C@]1(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)CC[NH2+]C1 ZINC000568984832 354836435 /nfs/dbraw/zinc/83/64/35/354836435.db2.gz XAVLUZBLZWJZBJ-GVXVVHGQSA-N 2 1 253.346 -0.425 20 0 CBADMP CNC(=O)[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000569223281 354839933 /nfs/dbraw/zinc/83/99/33/354839933.db2.gz WHLFIXGQZSSTSE-GFCCVEGCSA-N 2 1 255.362 -0.177 20 0 CBADMP COC(=O)C(C)(C)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569260940 354841965 /nfs/dbraw/zinc/84/19/65/354841965.db2.gz WWYLVFANUYPUFK-MNOVXSKESA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)C(C)(C)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569260942 354842185 /nfs/dbraw/zinc/84/21/85/354842185.db2.gz WWYLVFANUYPUFK-QWRGUYRKSA-N 2 1 283.372 -0.181 20 0 CBADMP CCOC(=O)C1([C@@H](C)[NH2+]C2CNC2)CC[NH2+]CC1 ZINC000569330397 354842854 /nfs/dbraw/zinc/84/28/54/354842854.db2.gz WUKAXFYBIRLZJT-SNVBAGLBSA-N 2 1 255.362 -0.131 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)c1ccco1 ZINC000569678064 354843090 /nfs/dbraw/zinc/84/30/90/354843090.db2.gz PWGRUQFCVRECND-SNVBAGLBSA-N 2 1 280.328 -0.914 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000569723718 354845183 /nfs/dbraw/zinc/84/51/83/354845183.db2.gz LEYIZQQMNKJPRK-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000571762747 354878907 /nfs/dbraw/zinc/87/89/07/354878907.db2.gz KUBREEMTWORYFJ-CHWSQXEVSA-N 3 1 268.405 -0.227 20 0 CBADMP CN1CC[C@H]([N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000570280671 354858575 /nfs/dbraw/zinc/85/85/75/354858575.db2.gz FAMZJYDIUUPXBU-OLZOCXBDSA-N 2 1 294.399 -0.639 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2CN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000571938293 354883794 /nfs/dbraw/zinc/88/37/94/354883794.db2.gz ABRPJDFAQBCMLD-YIYPIFLZSA-N 2 1 294.399 -0.907 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2CN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000571938293 354883797 /nfs/dbraw/zinc/88/37/97/354883797.db2.gz ABRPJDFAQBCMLD-YIYPIFLZSA-N 2 1 294.399 -0.907 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000572117309 354886355 /nfs/dbraw/zinc/88/63/55/354886355.db2.gz AXNWUNRXKCCOSN-NSHDSACASA-N 2 1 271.361 -0.181 20 0 CBADMP CN1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)[C@H](C[NH3+])C1 ZINC000572134354 354887338 /nfs/dbraw/zinc/88/73/38/354887338.db2.gz HCCZGQYZFGFYDZ-NWDGAFQWSA-N 2 1 269.393 -0.635 20 0 CBADMP CN(C)C(=O)CC[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000572159563 354888066 /nfs/dbraw/zinc/88/80/66/354888066.db2.gz RUSSKJHQTYCZLC-GFCCVEGCSA-N 2 1 282.388 -0.639 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C[C@H](C)O)C[C@@H]1C ZINC000572254786 354888998 /nfs/dbraw/zinc/88/89/98/354888998.db2.gz ZGKSXKMKRCQTNS-IHRRRGAJSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000572254786 354888999 /nfs/dbraw/zinc/88/89/99/354888999.db2.gz ZGKSXKMKRCQTNS-IHRRRGAJSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000572254786 354889000 /nfs/dbraw/zinc/88/90/00/354889000.db2.gz ZGKSXKMKRCQTNS-IHRRRGAJSA-N 2 1 273.421 -0.314 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572736047 354897176 /nfs/dbraw/zinc/89/71/76/354897176.db2.gz IORUWRVNXCEJRE-QNWHQSFQSA-N 2 1 294.399 -0.370 20 0 CBADMP C(C[N@H+]1CCC[C@H]1CN1CCOCC1)N1CC[NH2+]CC1 ZINC000573124005 354905733 /nfs/dbraw/zinc/90/57/33/354905733.db2.gz ROJPWFGDTYRDOI-HNNXBMFYSA-N 2 1 282.432 -0.312 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](COCCOC)C1 ZINC000573126260 354906099 /nfs/dbraw/zinc/90/60/99/354906099.db2.gz MOMTZZWQKLPUKI-OLZOCXBDSA-N 2 1 260.378 -0.058 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000573504383 354914443 /nfs/dbraw/zinc/91/44/43/354914443.db2.gz ZKJSSVBAUVCBSS-HZSPNIEDSA-N 2 1 273.421 -0.314 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000573504383 354914445 /nfs/dbraw/zinc/91/44/45/354914445.db2.gz ZKJSSVBAUVCBSS-HZSPNIEDSA-N 2 1 273.421 -0.314 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N[C@H]1CC[NH2+]C1 ZINC000573507452 354914987 /nfs/dbraw/zinc/91/49/87/354914987.db2.gz YRVBNFHBNCKCKP-TUAOUCFPSA-N 2 1 280.372 -0.793 20 0 CBADMP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000573819656 354921637 /nfs/dbraw/zinc/92/16/37/354921637.db2.gz CHUHKXMBTDSTNN-RYUDHWBXSA-N 2 1 269.393 -0.717 20 0 CBADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000573942692 354925014 /nfs/dbraw/zinc/92/50/14/354925014.db2.gz HXERLNKTWFNDBK-CYBMUJFWSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C)c1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc[nH+]1 ZINC000578206356 354940602 /nfs/dbraw/zinc/94/06/02/354940602.db2.gz PTJZTHHHPQMYRO-ZJUUUORDSA-N 2 1 276.344 -0.709 20 0 CBADMP CCN1CC[NH+](CCC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000578196517 354940914 /nfs/dbraw/zinc/94/09/14/354940914.db2.gz LEKIKHVWVDDFIV-AWEZNQCLSA-N 2 1 297.447 -0.966 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000578336052 354943837 /nfs/dbraw/zinc/94/38/37/354943837.db2.gz CLUCRWHCDQKQGJ-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000578336052 354943840 /nfs/dbraw/zinc/94/38/40/354943840.db2.gz CLUCRWHCDQKQGJ-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)N[C@H]1CC[NH2+]C1 ZINC000579026263 354961315 /nfs/dbraw/zinc/96/13/15/354961315.db2.gz UPBVVNSRENSTFS-RYUDHWBXSA-N 2 1 270.377 -0.506 20 0 CBADMP CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000578638553 354950759 /nfs/dbraw/zinc/95/07/59/354950759.db2.gz LKYZTIREAQNZNL-QNWHQSFQSA-N 2 1 267.373 -0.097 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)[C@H]2C1 ZINC000579105933 354962253 /nfs/dbraw/zinc/96/22/53/354962253.db2.gz KEBFAMPCMXKVPV-AGIUHOORSA-N 2 1 294.399 -0.593 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000579109880 354962327 /nfs/dbraw/zinc/96/23/27/354962327.db2.gz SZNWUMKFJBIFFB-FRRDWIJNSA-N 2 1 294.399 -0.783 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579122742 354963419 /nfs/dbraw/zinc/96/34/19/354963419.db2.gz KTXVMFDBACACNZ-STQMWFEESA-N 2 1 268.405 -0.180 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000579122742 354963420 /nfs/dbraw/zinc/96/34/20/354963420.db2.gz KTXVMFDBACACNZ-STQMWFEESA-N 3 1 268.405 -0.180 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000579122742 354963421 /nfs/dbraw/zinc/96/34/21/354963421.db2.gz KTXVMFDBACACNZ-STQMWFEESA-N 3 1 268.405 -0.180 20 0 CBADMP CN1CC[NH+](CCCNC(=O)CC2(C[NH3+])CC2)CC1 ZINC000579235775 354965076 /nfs/dbraw/zinc/96/50/76/354965076.db2.gz GKSIGEAIPHNOFQ-UHFFFAOYSA-N 2 1 268.405 -0.131 20 0 CBADMP c1cnnc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c1 ZINC000579361178 354968048 /nfs/dbraw/zinc/96/80/48/354968048.db2.gz PTIACRMBUHRSMR-UHFFFAOYSA-N 2 1 276.388 -0.496 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000579473885 354971599 /nfs/dbraw/zinc/97/15/99/354971599.db2.gz RDIMSPROZDOTIJ-CYBMUJFWSA-N 3 1 268.405 -0.227 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000579692529 354976582 /nfs/dbraw/zinc/97/65/82/354976582.db2.gz GAGOHXHEUXZHLD-ZYHUDNBSSA-N 2 1 280.372 -0.983 20 0 CBADMP C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000579857986 354982189 /nfs/dbraw/zinc/98/21/89/354982189.db2.gz NTIZNXZXQFNIKK-QWRGUYRKSA-N 2 1 295.387 -0.229 20 0 CBADMP Cn1ccnc1CN1CC[NH+](CCOCC[NH3+])CC1 ZINC000579953405 354983798 /nfs/dbraw/zinc/98/37/98/354983798.db2.gz AMALQNKAPGKWMZ-UHFFFAOYSA-N 2 1 267.377 -0.487 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000580336382 354993804 /nfs/dbraw/zinc/99/38/04/354993804.db2.gz KIGBDXYPPWDZKH-RYUDHWBXSA-N 2 1 253.350 -0.115 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000580336382 354993805 /nfs/dbraw/zinc/99/38/05/354993805.db2.gz KIGBDXYPPWDZKH-RYUDHWBXSA-N 2 1 253.350 -0.115 20 0 CBADMP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000580715391 354996826 /nfs/dbraw/zinc/99/68/26/354996826.db2.gz AJTRQNVBMBXCRY-MFKMUULPSA-N 2 1 279.340 -0.200 20 0 CBADMP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000580715392 354997046 /nfs/dbraw/zinc/99/70/46/354997046.db2.gz AJTRQNVBMBXCRY-ZWNOBZJWSA-N 2 1 279.340 -0.200 20 0 CBADMP CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@H](C[NH3+])C1 ZINC000584519394 355031028 /nfs/dbraw/zinc/03/10/28/355031028.db2.gz HMVKFYNNQVCAMP-WCQYABFASA-N 2 1 281.404 -0.493 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCN2C1=O ZINC000584851601 355040946 /nfs/dbraw/zinc/04/09/46/355040946.db2.gz XLAHJKXFIBCTDB-STQMWFEESA-N 3 1 266.389 -0.380 20 0 CBADMP C[NH+]1CCN(C[C@H](O)C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000581365271 355005654 /nfs/dbraw/zinc/00/56/54/355005654.db2.gz KVXYUJROFVDNBB-JKSUJKDBSA-N 3 1 298.475 -0.084 20 0 CBADMP CN1CCN(C[C@H](O)C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000581365271 355005657 /nfs/dbraw/zinc/00/56/57/355005657.db2.gz KVXYUJROFVDNBB-JKSUJKDBSA-N 2 1 298.475 -0.084 20 0 CBADMP CN1CCN(C[C@H](O)C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000581365271 355005659 /nfs/dbraw/zinc/00/56/59/355005659.db2.gz KVXYUJROFVDNBB-JKSUJKDBSA-N 2 1 298.475 -0.084 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000582062771 355006218 /nfs/dbraw/zinc/00/62/18/355006218.db2.gz AINZPYZNBHPWGY-ZDEQEGDKSA-N 2 1 296.415 -0.029 20 0 CBADMP O=C(C[C@H]1CSCC[NH2+]1)NCC[N@H+]1CCCOCC1 ZINC000582299756 355013078 /nfs/dbraw/zinc/01/30/78/355013078.db2.gz FNYRXPWDEAXOBK-LBPRGKRZSA-N 2 1 287.429 -0.080 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000582410568 355016364 /nfs/dbraw/zinc/01/63/64/355016364.db2.gz ZBTGSDNSVBYFQR-NTZNESFSSA-N 2 1 294.399 -0.547 20 0 CBADMP COC[C@](C)(O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000583495417 355018005 /nfs/dbraw/zinc/01/80/05/355018005.db2.gz DJLQNVDCKFJQKA-QWHCGFSZSA-N 2 1 260.378 -0.181 20 0 CBADMP COC[C@](C)(O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000583495417 355018008 /nfs/dbraw/zinc/01/80/08/355018008.db2.gz DJLQNVDCKFJQKA-QWHCGFSZSA-N 2 1 260.378 -0.181 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000583997105 355027258 /nfs/dbraw/zinc/02/72/58/355027258.db2.gz UDLBHSADFDSIOE-NWDGAFQWSA-N 2 1 256.394 -0.134 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCCCN1CCCC1=O ZINC000442767786 291055822 /nfs/dbraw/zinc/05/58/22/291055822.db2.gz ROAZVQCBSXUNJT-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000442767786 291055825 /nfs/dbraw/zinc/05/58/25/291055825.db2.gz ROAZVQCBSXUNJT-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H](C)[NH3+])[C@H](C)C1 ZINC000591361324 355094450 /nfs/dbraw/zinc/09/44/50/355094450.db2.gz UCMXCQDGSIVYHY-WDEREUQCSA-N 2 1 286.376 -0.388 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H](C)[NH3+])[C@H](C)C1 ZINC000591361324 355094453 /nfs/dbraw/zinc/09/44/53/355094453.db2.gz UCMXCQDGSIVYHY-WDEREUQCSA-N 2 1 286.376 -0.388 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1C ZINC000592566430 355165680 /nfs/dbraw/zinc/16/56/80/355165680.db2.gz NTMYDCJKWBFQPA-CIQGVGRVSA-N 2 1 295.383 -0.452 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1C ZINC000592566430 355165681 /nfs/dbraw/zinc/16/56/81/355165681.db2.gz NTMYDCJKWBFQPA-CIQGVGRVSA-N 2 1 295.383 -0.452 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000592418987 355152563 /nfs/dbraw/zinc/15/25/63/355152563.db2.gz ATCXAUSJAWMKNQ-BFHYXJOUSA-N 2 1 281.400 -0.004 20 0 CBADMP NC(=O)NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000592953565 355186874 /nfs/dbraw/zinc/18/68/74/355186874.db2.gz VSLNTUFPWSCBJP-UHFFFAOYSA-N 2 1 277.328 -0.211 20 0 CBADMP NC(=O)NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000592953565 355186877 /nfs/dbraw/zinc/18/68/77/355186877.db2.gz VSLNTUFPWSCBJP-UHFFFAOYSA-N 2 1 277.328 -0.211 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000594186032 355237806 /nfs/dbraw/zinc/23/78/06/355237806.db2.gz IANHWVXDQHAVNQ-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593728679 355217371 /nfs/dbraw/zinc/21/73/71/355217371.db2.gz CHUGURCVTJGPRM-HBNTYKKESA-N 2 1 284.360 -0.458 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736263 355217385 /nfs/dbraw/zinc/21/73/85/355217385.db2.gz KTTAACBPRXQHBR-SDDRHHMPSA-N 2 1 298.387 -0.340 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736261 355217701 /nfs/dbraw/zinc/21/77/01/355217701.db2.gz KTTAACBPRXQHBR-QJPTWQEYSA-N 2 1 298.387 -0.340 20 0 CBADMP CC(C)COCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594876213 355267055 /nfs/dbraw/zinc/26/70/55/355267055.db2.gz JRNJPYCMJSNFBH-NEPJUHHUSA-N 2 1 255.362 -0.097 20 0 CBADMP CC(C)COCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594876213 355267060 /nfs/dbraw/zinc/26/70/60/355267060.db2.gz JRNJPYCMJSNFBH-NEPJUHHUSA-N 2 1 255.362 -0.097 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595862373 355312389 /nfs/dbraw/zinc/31/23/89/355312389.db2.gz BATFJUZUTYXRNG-LBPRGKRZSA-N 2 1 298.387 -0.637 20 0 CBADMP CNC(=O)NC(=O)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595862373 355312391 /nfs/dbraw/zinc/31/23/91/355312391.db2.gz BATFJUZUTYXRNG-LBPRGKRZSA-N 2 1 298.387 -0.637 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000595890182 355314554 /nfs/dbraw/zinc/31/45/54/355314554.db2.gz ZGIGBTPSDSFMBQ-TUAOUCFPSA-N 2 1 283.372 -0.181 20 0 CBADMP COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCOCC[NH3+] ZINC000595904990 355317759 /nfs/dbraw/zinc/31/77/59/355317759.db2.gz NUNMGRJBKHZUEU-GFCCVEGCSA-N 2 1 260.334 -0.384 20 0 CBADMP COC[C@@]1(C(=O)OC)CCC[N@H+]1CCOCC[NH3+] ZINC000595904990 355317761 /nfs/dbraw/zinc/31/77/61/355317761.db2.gz NUNMGRJBKHZUEU-GFCCVEGCSA-N 2 1 260.334 -0.384 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595938337 355321504 /nfs/dbraw/zinc/32/15/04/355321504.db2.gz OKBZPGDUMAZFHV-UWVGGRQHSA-N 2 1 271.361 -0.134 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595938337 355321508 /nfs/dbraw/zinc/32/15/08/355321508.db2.gz OKBZPGDUMAZFHV-UWVGGRQHSA-N 2 1 271.361 -0.134 20 0 CBADMP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(=O)OC)C1 ZINC000595943775 355323368 /nfs/dbraw/zinc/32/33/68/355323368.db2.gz JUKDDGXVUJVGDH-UWVGGRQHSA-N 2 1 257.334 -0.523 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(=O)OC)C1 ZINC000595943775 355323369 /nfs/dbraw/zinc/32/33/69/355323369.db2.gz JUKDDGXVUJVGDH-UWVGGRQHSA-N 2 1 257.334 -0.523 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000595944528 355323973 /nfs/dbraw/zinc/32/39/73/355323973.db2.gz MDEGUYFSPSDXFE-WDEREUQCSA-N 2 1 271.361 -0.133 20 0 CBADMP COC(=O)CCN1CCC[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000595293228 355279537 /nfs/dbraw/zinc/27/95/37/355279537.db2.gz HWQZTJNMMSMMDP-XQQFMLRXSA-N 2 1 295.383 -0.308 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000598680457 355449998 /nfs/dbraw/zinc/44/99/98/355449998.db2.gz BXJQKRVAHCETPT-XUJVJEKNSA-N 2 1 295.383 -0.036 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000598680457 355449999 /nfs/dbraw/zinc/44/99/99/355449999.db2.gz BXJQKRVAHCETPT-XUJVJEKNSA-N 2 1 295.383 -0.036 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000598680456 355449920 /nfs/dbraw/zinc/44/99/20/355449920.db2.gz BXJQKRVAHCETPT-TYNCELHUSA-N 2 1 295.383 -0.036 20 0 CBADMP COC(=O)CCN1CC[C@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000598680456 355449921 /nfs/dbraw/zinc/44/99/21/355449921.db2.gz BXJQKRVAHCETPT-TYNCELHUSA-N 2 1 295.383 -0.036 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000599394913 355485624 /nfs/dbraw/zinc/48/56/24/355485624.db2.gz KTRCLXNOUXPPOB-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000599394913 355485627 /nfs/dbraw/zinc/48/56/27/355485627.db2.gz KTRCLXNOUXPPOB-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000346314804 283105711 /nfs/dbraw/zinc/10/57/11/283105711.db2.gz HWBIHPAKMHHVJS-TZMCWYRMSA-N 2 1 267.373 -0.129 20 0 CBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000346314804 283105715 /nfs/dbraw/zinc/10/57/15/283105715.db2.gz HWBIHPAKMHHVJS-TZMCWYRMSA-N 2 1 267.373 -0.129 20 0 CBADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000346314804 283105718 /nfs/dbraw/zinc/10/57/18/283105718.db2.gz HWBIHPAKMHHVJS-TZMCWYRMSA-N 2 1 267.373 -0.129 20 0 CBADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000346314804 283105723 /nfs/dbraw/zinc/10/57/23/283105723.db2.gz HWBIHPAKMHHVJS-TZMCWYRMSA-N 2 1 267.373 -0.129 20 0 CBADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000601325537 355585711 /nfs/dbraw/zinc/58/57/11/355585711.db2.gz KVCVBQRDIIJTDV-USZNOCQGSA-N 2 1 253.346 -0.345 20 0 CBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326790 355586286 /nfs/dbraw/zinc/58/62/86/355586286.db2.gz PRIJPBSBLZLKTM-OPRDCNLKSA-N 2 1 268.361 -0.110 20 0 CBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326790 355586288 /nfs/dbraw/zinc/58/62/88/355586288.db2.gz PRIJPBSBLZLKTM-OPRDCNLKSA-N 2 1 268.361 -0.110 20 0 CBADMP CCCCNC(=O)NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000600735899 355564092 /nfs/dbraw/zinc/56/40/92/355564092.db2.gz WFWJZIZWCVTFCI-UHFFFAOYSA-N 2 1 274.365 -0.481 20 0 CBADMP CCCCNC(=O)NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000600735899 355564095 /nfs/dbraw/zinc/56/40/95/355564095.db2.gz WFWJZIZWCVTFCI-UHFFFAOYSA-N 2 1 274.365 -0.481 20 0 CBADMP C[NH+]1CCN(CC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000600962370 355572090 /nfs/dbraw/zinc/57/20/90/355572090.db2.gz XRMXZRNFIDJYHG-UHFFFAOYSA-N 2 1 277.372 -0.721 20 0 CBADMP C[N@@H+](CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)CC(C)(C)C ZINC000602523807 355657245 /nfs/dbraw/zinc/65/72/45/355657245.db2.gz IGEGCZURTXTLRE-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603431658 355715346 /nfs/dbraw/zinc/71/53/46/355715346.db2.gz FWPUXDQVVNNEFO-YIZRAAEISA-N 2 1 256.350 -0.064 20 0 CBADMP C[NH+]1CCC2(CC[N@@H+](CCC(=O)NC(N)=O)C2)CC1 ZINC000602876178 355679673 /nfs/dbraw/zinc/67/96/73/355679673.db2.gz FSNWFOUNWUSUCC-UHFFFAOYSA-N 2 1 268.361 -0.011 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H](C)O)CC1 ZINC000607754913 355748416 /nfs/dbraw/zinc/74/84/16/355748416.db2.gz FFOYYBJCZBMLNG-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[N@H+]1C1CC1 ZINC000365103058 291077763 /nfs/dbraw/zinc/07/77/63/291077763.db2.gz AKAPOVFZMYPARN-LUTQBAROSA-N 2 1 253.346 -0.549 20 0 CBADMP C[C@@]1(NC(=O)NCC[N@H+]2CCCOCC2)CC[NH2+]C1 ZINC000612909477 355856920 /nfs/dbraw/zinc/85/69/20/355856920.db2.gz OLODTZSMVZQDCB-CYBMUJFWSA-N 2 1 270.377 -0.240 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612972002 355858661 /nfs/dbraw/zinc/85/86/61/355858661.db2.gz RFRAAMXDXJUWQI-CHWSQXEVSA-N 2 1 295.431 -0.327 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000614854793 355992000 /nfs/dbraw/zinc/99/20/00/355992000.db2.gz SJYICNHTJBHCSB-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000614854792 355992642 /nfs/dbraw/zinc/99/26/42/355992642.db2.gz SJYICNHTJBHCSB-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000614505406 355964375 /nfs/dbraw/zinc/96/43/75/355964375.db2.gz NNGXZUPNCPARJG-CHWSQXEVSA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000614505406 355964377 /nfs/dbraw/zinc/96/43/77/355964377.db2.gz NNGXZUPNCPARJG-CHWSQXEVSA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000614505406 355964379 /nfs/dbraw/zinc/96/43/79/355964379.db2.gz NNGXZUPNCPARJG-CHWSQXEVSA-N 2 1 266.389 -0.556 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000614506104 355965903 /nfs/dbraw/zinc/96/59/03/355965903.db2.gz VWOOLXIMVJWNIL-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000614506104 355965904 /nfs/dbraw/zinc/96/59/04/355965904.db2.gz VWOOLXIMVJWNIL-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000614506104 355965905 /nfs/dbraw/zinc/96/59/05/355965905.db2.gz VWOOLXIMVJWNIL-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1cnnn1C ZINC000617502217 356139188 /nfs/dbraw/zinc/13/91/88/356139188.db2.gz HFMRWBJHMUMMJX-LBPRGKRZSA-N 2 1 296.419 -0.254 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1cnnn1C ZINC000617502217 356139191 /nfs/dbraw/zinc/13/91/91/356139191.db2.gz HFMRWBJHMUMMJX-LBPRGKRZSA-N 2 1 296.419 -0.254 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC000617506515 356139234 /nfs/dbraw/zinc/13/92/34/356139234.db2.gz QGXAJPKBFYTNHQ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC000617506515 356139237 /nfs/dbraw/zinc/13/92/37/356139237.db2.gz QGXAJPKBFYTNHQ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC(=O)N1 ZINC000617503346 356139354 /nfs/dbraw/zinc/13/93/54/356139354.db2.gz FQBMJWJEIWVIPW-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC(=O)N1 ZINC000617503346 356139359 /nfs/dbraw/zinc/13/93/59/356139359.db2.gz FQBMJWJEIWVIPW-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(=O)N1CC(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000617507476 356139534 /nfs/dbraw/zinc/13/95/34/356139534.db2.gz YJJNMFBEJQFQFN-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(=O)N1CC(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617507476 356139535 /nfs/dbraw/zinc/13/95/35/356139535.db2.gz YJJNMFBEJQFQFN-LBPRGKRZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC(=O)N1 ZINC000617502577 356139561 /nfs/dbraw/zinc/13/95/61/356139561.db2.gz UZYKCRGCYZTRLY-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC(=O)N1 ZINC000617502577 356139564 /nfs/dbraw/zinc/13/95/64/356139564.db2.gz UZYKCRGCYZTRLY-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1COCCO1 ZINC000617504100 356139788 /nfs/dbraw/zinc/13/97/88/356139788.db2.gz HIAHZIAOZPKUBB-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1COCCO1 ZINC000617504100 356139791 /nfs/dbraw/zinc/13/97/91/356139791.db2.gz HIAHZIAOZPKUBB-QWHCGFSZSA-N 2 1 287.404 -0.210 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000419901905 283144902 /nfs/dbraw/zinc/14/49/02/283144902.db2.gz BHSRVGKAWONGHD-XQQFMLRXSA-N 2 1 294.399 -0.593 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)CC[NH2+]1 ZINC000621155055 356257270 /nfs/dbraw/zinc/25/72/70/356257270.db2.gz YAOPJWHIFVIBMN-ZDUSSCGKSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@@H](C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[NH+](C)C ZINC000620482489 356244369 /nfs/dbraw/zinc/24/43/69/356244369.db2.gz PGQSSNRMDSLEIF-WCQYABFASA-N 2 1 269.389 -0.006 20 0 CBADMP C[NH+](C)C1CC(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000622009349 356298715 /nfs/dbraw/zinc/29/87/15/356298715.db2.gz SZAQAGAPCDXMPX-WXRRBKDZSA-N 2 1 266.389 -0.415 20 0 CBADMP C[NH+](C)C1CC(NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000622009929 356299949 /nfs/dbraw/zinc/29/99/49/356299949.db2.gz OROWWWCYBIEGIR-UHFFFAOYSA-N 2 1 254.378 -0.557 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCC(O)CC1 ZINC000622659179 356334829 /nfs/dbraw/zinc/33/48/29/356334829.db2.gz YJNCZQMDJQMBHE-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP CC1CC[NH+](CCCNc2nc(N)nc(N)[nH+]2)CC1 ZINC000623812626 356377105 /nfs/dbraw/zinc/37/71/05/356377105.db2.gz CJPPTDMNMTYZEQ-UHFFFAOYSA-N 2 1 265.365 -0.347 20 0 CBADMP C[C@H](CNc1nc(N)nc(N)[nH+]1)C[NH+]1CCCCC1 ZINC000623877750 356380019 /nfs/dbraw/zinc/38/00/19/356380019.db2.gz LHHLJULBIFGHJQ-SECBINFHSA-N 2 1 265.365 -0.347 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1nc(N)[nH+]c(N)n1 ZINC000623885572 356381471 /nfs/dbraw/zinc/38/14/71/356381471.db2.gz BFXXFPWVOXRBQU-IUCAKERBSA-N 2 1 265.365 -0.349 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)c1nc(N)[nH+]c(N)n1 ZINC000623974423 356385076 /nfs/dbraw/zinc/38/50/76/356385076.db2.gz DYZDJYBXGASOJX-MRVPVSSYSA-N 2 1 251.338 -0.525 20 0 CBADMP C[NH+](C)CCOC1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000623965790 356385185 /nfs/dbraw/zinc/38/51/85/356385185.db2.gz VJGWNDQCYHIINT-UHFFFAOYSA-N 2 1 281.364 -0.756 20 0 CBADMP Nc1nc(NC[C@H]2CCCC[N@H+]2C2CC2)nc(N)[nH+]1 ZINC000624160145 356400384 /nfs/dbraw/zinc/40/03/84/356400384.db2.gz DDEUKZDQIYSGGV-SECBINFHSA-N 2 1 263.349 -0.453 20 0 CBADMP C[C@H](Nc1nc(N)nc(N)[nH+]1)C(C)(C)C[NH+](C)C ZINC000623994241 356387158 /nfs/dbraw/zinc/38/71/58/356387158.db2.gz SZJGEXDIMILSAQ-ZETCQYMHSA-N 2 1 253.354 -0.493 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1nc(N)[nH+]c(N)n1 ZINC000624024284 356390810 /nfs/dbraw/zinc/39/08/10/356390810.db2.gz CENMGEMHCIFOAI-HTQZYQBOSA-N 2 1 251.338 -0.527 20 0 CBADMP C[N@H+]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)[C@H]1c1ccccc1 ZINC000624068516 356395865 /nfs/dbraw/zinc/39/58/65/356395865.db2.gz YFNVIPVUUAHFAC-WDEREUQCSA-N 2 1 285.355 -0.024 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@@H]1NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000623619005 356369525 /nfs/dbraw/zinc/36/95/25/356369525.db2.gz OFOKZHWPPADPRR-AVGNSLFASA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000623619005 356369527 /nfs/dbraw/zinc/36/95/27/356369527.db2.gz OFOKZHWPPADPRR-AVGNSLFASA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623619005 356369529 /nfs/dbraw/zinc/36/95/29/356369529.db2.gz OFOKZHWPPADPRR-AVGNSLFASA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623619005 356369531 /nfs/dbraw/zinc/36/95/31/356369531.db2.gz OFOKZHWPPADPRR-AVGNSLFASA-N 2 1 268.405 -0.134 20 0 CBADMP Nc1nc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)nc(N)[nH+]1 ZINC000624411319 356421005 /nfs/dbraw/zinc/42/10/05/356421005.db2.gz DTWOFSHDIRNGTR-SNVBAGLBSA-N 2 1 277.376 -0.347 20 0 CBADMP Nc1nc(N)[nH+]c(NC[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000624411319 356421007 /nfs/dbraw/zinc/42/10/07/356421007.db2.gz DTWOFSHDIRNGTR-SNVBAGLBSA-N 2 1 277.376 -0.347 20 0 CBADMP Nc1nc(N)[nH+]c(NC[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000624411319 356421010 /nfs/dbraw/zinc/42/10/10/356421010.db2.gz DTWOFSHDIRNGTR-SNVBAGLBSA-N 2 1 277.376 -0.347 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000624168633 356401450 /nfs/dbraw/zinc/40/14/50/356401450.db2.gz CFHHZHOSMAIQSZ-QMMMGPOBSA-N 2 1 265.365 -0.349 20 0 CBADMP C[N@H+]1CCC[C@@]2(CCN(c3nc(N)[nH+]c(N)n3)C2)C1 ZINC000624245435 356405779 /nfs/dbraw/zinc/40/57/79/356405779.db2.gz DFOCBZXKKNZBNT-GFCCVEGCSA-N 2 1 263.349 -0.381 20 0 CBADMP CC1(C)CCC[N@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000624266156 356408742 /nfs/dbraw/zinc/40/87/42/356408742.db2.gz HCHKJYWLRLWIEN-UHFFFAOYSA-N 2 1 251.338 -0.595 20 0 CBADMP CC[N@H+]1CCCN(c2nc(N)[nH+]c(N)n2)[C@H](C)C1 ZINC000624273827 356409566 /nfs/dbraw/zinc/40/95/66/356409566.db2.gz KEBLZMCXGSADHW-MRVPVSSYSA-N 2 1 251.338 -0.383 20 0 CBADMP [NH3+]CC[C@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000625898164 356496413 /nfs/dbraw/zinc/49/64/13/356496413.db2.gz HTCDVECYFINNIK-IUCAKERBSA-N 2 1 298.309 -0.368 20 0 CBADMP [NH3+]C[C@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000625899606 356496544 /nfs/dbraw/zinc/49/65/44/356496544.db2.gz XTOOHRHBFOXAHG-YUMQZZPRSA-N 2 1 284.282 -0.758 20 0 CBADMP [NH3+]C[C@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)C(F)(F)F ZINC000625899605 356496555 /nfs/dbraw/zinc/49/65/55/356496555.db2.gz XTOOHRHBFOXAHG-SFYZADRCSA-N 2 1 284.282 -0.758 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)NCCOCCC[NH3+])C1 ZINC000626946333 356558506 /nfs/dbraw/zinc/55/85/06/356558506.db2.gz XDVRQEAABZBGAL-LLVKDONJSA-N 2 1 258.366 -0.255 20 0 CBADMP C[N@@H+](CCNC(=O)NC1(C[NH3+])CCOCC1)C1CC1 ZINC000626975945 356561502 /nfs/dbraw/zinc/56/15/02/356561502.db2.gz JYWUPGMZJAREMG-UHFFFAOYSA-N 2 1 270.377 -0.112 20 0 CBADMP C[N@@H+](CCNC(=O)NCCOCCC[NH3+])C1CC1 ZINC000626975741 356561565 /nfs/dbraw/zinc/56/15/65/356561565.db2.gz CUOWBRWCKNABKA-UHFFFAOYSA-N 2 1 258.366 -0.255 20 0 CBADMP C[C@H](NC(=O)NCCOCCC[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000627004082 356565589 /nfs/dbraw/zinc/56/55/89/356565589.db2.gz ZNUSOCFIZSVNNJ-NWDGAFQWSA-N 2 1 288.392 -0.630 20 0 CBADMP C[C@H](NC(=O)NCCOCCC[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000627004082 356565593 /nfs/dbraw/zinc/56/55/93/356565593.db2.gz ZNUSOCFIZSVNNJ-NWDGAFQWSA-N 2 1 288.392 -0.630 20 0 CBADMP CCN(CC[NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000627003102 356565722 /nfs/dbraw/zinc/56/57/22/356565722.db2.gz GYTKKJNDCSMIOP-QWRGUYRKSA-N 2 1 258.366 -0.304 20 0 CBADMP CCN(CC[NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000627003102 356565726 /nfs/dbraw/zinc/56/57/26/356565726.db2.gz GYTKKJNDCSMIOP-QWRGUYRKSA-N 2 1 258.366 -0.304 20 0 CBADMP C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC000627070012 356573445 /nfs/dbraw/zinc/57/34/45/356573445.db2.gz URYLMNZAZLQEDD-JHJVBQTASA-N 2 1 284.404 -0.260 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000627127364 356587905 /nfs/dbraw/zinc/58/79/05/356587905.db2.gz YGJFNMCHCTUKOL-NEPJUHHUSA-N 2 1 282.388 -0.363 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627130123 356588153 /nfs/dbraw/zinc/58/81/53/356588153.db2.gz JPPYCSLREKCGSQ-GFCCVEGCSA-N 2 1 284.404 -0.116 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627148515 356588412 /nfs/dbraw/zinc/58/84/12/356588412.db2.gz XXDIELKWVBSNOG-LBPRGKRZSA-N 2 1 288.367 -0.163 20 0 CBADMP C[NH2+]CCOCCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000627170908 356592259 /nfs/dbraw/zinc/59/22/59/356592259.db2.gz KVSRIVOMIDTWQV-GFCCVEGCSA-N 2 1 276.356 -0.435 20 0 CBADMP C[NH2+]CCOCCNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000627171810 356593144 /nfs/dbraw/zinc/59/31/44/356593144.db2.gz IQEGDXQDDRDUIJ-CQSZACIVSA-N 2 1 284.404 -0.040 20 0 CBADMP CC[N@H+]1CCCN(C(=O)NCCOCC[NH2+]C)CC1 ZINC000627173534 356593819 /nfs/dbraw/zinc/59/38/19/356593819.db2.gz AGYSAAPMLJRPNB-UHFFFAOYSA-N 2 1 272.393 -0.040 20 0 CBADMP [NH3+]C1CCC(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000627077081 356575319 /nfs/dbraw/zinc/57/53/19/356575319.db2.gz RUKGKDYGCWDGMJ-HTAVTVPLSA-N 2 1 270.377 -0.378 20 0 CBADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627079907 356576125 /nfs/dbraw/zinc/57/61/25/356576125.db2.gz XXWMQRMDIMYZPC-JHJVBQTASA-N 2 1 284.404 -0.130 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627086157 356579206 /nfs/dbraw/zinc/57/92/06/356579206.db2.gz IXTMLCSLJPGBHR-WOPDTQHZSA-N 2 1 270.377 -0.650 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000627102662 356583208 /nfs/dbraw/zinc/58/32/08/356583208.db2.gz QKXCZDUUJSVUIS-MNOVXSKESA-N 2 1 256.350 -0.632 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103447 356583671 /nfs/dbraw/zinc/58/36/71/356583671.db2.gz SDFGPGQJYUCBEL-NEPJUHHUSA-N 2 1 270.377 -0.242 20 0 CBADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627104907 356584137 /nfs/dbraw/zinc/58/41/37/356584137.db2.gz PVDZKIGAWHAZGF-MXWKQRLJSA-N 2 1 258.366 -0.522 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000627107354 356584382 /nfs/dbraw/zinc/58/43/82/356584382.db2.gz XRAAFQPRLAOADS-RQJABVFESA-N 2 1 296.415 -0.260 20 0 CBADMP O=C(NCCC1CC[NH2+]CC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627110917 356585575 /nfs/dbraw/zinc/58/55/75/356585575.db2.gz MOQMTSSHWJPTGP-ZDUSSCGKSA-N 2 1 284.404 -0.258 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627117688 356586240 /nfs/dbraw/zinc/58/62/40/356586240.db2.gz VXGNXNCMJPLWOT-NWDGAFQWSA-N 2 1 270.377 -0.242 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000627225707 356609956 /nfs/dbraw/zinc/60/99/56/356609956.db2.gz AYULDCRHBKZQEE-WOPDTQHZSA-N 2 1 270.377 -0.162 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000627242468 356610706 /nfs/dbraw/zinc/61/07/06/356610706.db2.gz RINCEOCCKIXXEB-UMNHJUIQSA-N 2 1 256.350 -0.897 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000627247301 356612184 /nfs/dbraw/zinc/61/21/84/356612184.db2.gz JCFVNUCLIFKVDG-CHWSQXEVSA-N 2 1 282.388 -0.146 20 0 CBADMP C[NH2+]CCOCCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000627177410 356595072 /nfs/dbraw/zinc/59/50/72/356595072.db2.gz HMISNOLDWZDJBD-UHFFFAOYSA-N 2 1 270.377 -0.288 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627204246 356604479 /nfs/dbraw/zinc/60/44/79/356604479.db2.gz CFJNOVKVVVXLFM-VXGBXAGGSA-N 2 1 272.393 -0.260 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627207546 356605001 /nfs/dbraw/zinc/60/50/01/356605001.db2.gz PUGISXWDAJYXMM-FRRDWIJNSA-N 2 1 284.404 -0.165 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000627258204 356616137 /nfs/dbraw/zinc/61/61/37/356616137.db2.gz WOVVWYZDGLJZIQ-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627258204 356616141 /nfs/dbraw/zinc/61/61/41/356616141.db2.gz WOVVWYZDGLJZIQ-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627258204 356616145 /nfs/dbraw/zinc/61/61/45/356616145.db2.gz WOVVWYZDGLJZIQ-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627346315 356630048 /nfs/dbraw/zinc/63/00/48/356630048.db2.gz MLYAKFFNOIPVTB-GXSJLCMTSA-N 2 1 279.344 -0.826 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[N@H+]1C1CC1 ZINC000627349792 356630382 /nfs/dbraw/zinc/63/03/82/356630382.db2.gz ZJHDILZHZVKPIS-LSCVPOLPSA-N 2 1 294.399 -0.406 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000627349490 356630558 /nfs/dbraw/zinc/63/05/58/356630558.db2.gz PLRCRSVTTIZWNH-GHMZBOCLSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627349708 356630858 /nfs/dbraw/zinc/63/08/58/356630858.db2.gz WTONFCMSXDFDTO-FOGDFJRCSA-N 2 1 280.372 -0.937 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(CC)CC[NH3+] ZINC000627365687 356633311 /nfs/dbraw/zinc/63/33/11/356633311.db2.gz WQFXRPDHWODWBP-NSHDSACASA-N 2 1 272.393 -0.360 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000627372084 356634713 /nfs/dbraw/zinc/63/47/13/356634713.db2.gz BTIOMUWWSRAWTE-NXEZZACHSA-N 2 1 268.361 -0.937 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000627378677 356635075 /nfs/dbraw/zinc/63/50/75/356635075.db2.gz QWMOLVANNMJNOU-ZDEQEGDKSA-N 2 1 294.399 -0.404 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627268900 356617636 /nfs/dbraw/zinc/61/76/36/356617636.db2.gz JTKMXIVNCGLSCK-CHWSQXEVSA-N 2 1 278.356 -0.141 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627268900 356617638 /nfs/dbraw/zinc/61/76/38/356617638.db2.gz JTKMXIVNCGLSCK-CHWSQXEVSA-N 2 1 278.356 -0.141 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000627268950 356617774 /nfs/dbraw/zinc/61/77/74/356617774.db2.gz KPBCRBTWUQGQBV-VXGBXAGGSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000627268950 356617777 /nfs/dbraw/zinc/61/77/77/356617777.db2.gz KPBCRBTWUQGQBV-VXGBXAGGSA-N 2 1 267.373 -0.252 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000627266798 356617855 /nfs/dbraw/zinc/61/78/55/356617855.db2.gz FWXXBHFQLYGCCQ-RDBSUJKOSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)C1 ZINC000627266798 356617857 /nfs/dbraw/zinc/61/78/57/356617857.db2.gz FWXXBHFQLYGCCQ-RDBSUJKOSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)C1 ZINC000627266798 356617861 /nfs/dbraw/zinc/61/78/61/356617861.db2.gz FWXXBHFQLYGCCQ-RDBSUJKOSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+]3CC[C@@H](O)C3)C2)CC[N@H+]1C ZINC000627270194 356618463 /nfs/dbraw/zinc/61/84/63/356618463.db2.gz DNEXGOQTTSIAGU-XJFOESAGSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000627270194 356618467 /nfs/dbraw/zinc/61/84/67/356618467.db2.gz DNEXGOQTTSIAGU-XJFOESAGSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000627270194 356618469 /nfs/dbraw/zinc/61/84/69/356618469.db2.gz DNEXGOQTTSIAGU-XJFOESAGSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+]3CC[C@H](O)C3)C2)CC[N@H+]1C ZINC000627270195 356618737 /nfs/dbraw/zinc/61/87/37/356618737.db2.gz DNEXGOQTTSIAGU-YIYPIFLZSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)CC[NH+]1C ZINC000627270195 356618739 /nfs/dbraw/zinc/61/87/39/356618739.db2.gz DNEXGOQTTSIAGU-YIYPIFLZSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)CC[NH+]1C ZINC000627270195 356618741 /nfs/dbraw/zinc/61/87/41/356618741.db2.gz DNEXGOQTTSIAGU-YIYPIFLZSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000627290246 356620811 /nfs/dbraw/zinc/62/08/11/356620811.db2.gz JCLJJTKCCZHLLN-MNOVXSKESA-N 2 1 294.355 -0.523 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[N@@H+](C)C1CC1 ZINC000627372409 356635332 /nfs/dbraw/zinc/63/53/32/356635332.db2.gz LLTGRLYDALVCEY-JBLDHEPKSA-N 2 1 282.388 -0.548 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000627305250 356623211 /nfs/dbraw/zinc/62/32/11/356623211.db2.gz RYLVCCKWHKDCNM-WRWGMCAJSA-N 2 1 282.388 -0.548 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000627305249 356623235 /nfs/dbraw/zinc/62/32/35/356623235.db2.gz RYLVCCKWHKDCNM-NOOOWODRSA-N 2 1 282.388 -0.548 20 0 CBADMP C[C@H]1CC[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)C[NH2+]1 ZINC000627319019 356625671 /nfs/dbraw/zinc/62/56/71/356625671.db2.gz HRWAKTDDCKVMIN-WDEREUQCSA-N 2 1 282.388 -0.547 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000627325439 356626749 /nfs/dbraw/zinc/62/67/49/356626749.db2.gz JYDRLANCCGRDFX-KGYLQXTDSA-N 2 1 294.399 -0.404 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NCCCn1cc[nH+]c1C ZINC000627334370 356627543 /nfs/dbraw/zinc/62/75/43/356627543.db2.gz OQMXXYIANIENHG-UHFFFAOYSA-N 2 1 281.360 -0.495 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(CC)CC[NH3+])C1 ZINC000627428315 356645236 /nfs/dbraw/zinc/64/52/36/356645236.db2.gz BUXBXVNCZOYODQ-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627428414 356645277 /nfs/dbraw/zinc/64/52/77/356645277.db2.gz FBFYQHREDOBGPU-MNOVXSKESA-N 2 1 268.361 -0.935 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000627458471 356649147 /nfs/dbraw/zinc/64/91/47/356649147.db2.gz HFBJZTDAIJUINY-RWMBFGLXSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000627456257 356649267 /nfs/dbraw/zinc/64/92/67/356649267.db2.gz GKCZGVQEEIWTGJ-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000627504737 356660285 /nfs/dbraw/zinc/66/02/85/356660285.db2.gz DEDVPFKRDWOZGN-ZYHUDNBSSA-N 2 1 280.372 -0.840 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000627504547 356660313 /nfs/dbraw/zinc/66/03/13/356660313.db2.gz UPHVZUMVDOKGGB-QJPTWQEYSA-N 2 1 280.372 -0.983 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000627506998 356661594 /nfs/dbraw/zinc/66/15/94/356661594.db2.gz VNAMQLIKFBFFGC-QJPTWQEYSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000627506998 356661595 /nfs/dbraw/zinc/66/15/95/356661595.db2.gz VNAMQLIKFBFFGC-QJPTWQEYSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627498834 356657450 /nfs/dbraw/zinc/65/74/50/356657450.db2.gz OTHDZAQSZJXXHM-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[C@@H]1C ZINC000627502983 356658743 /nfs/dbraw/zinc/65/87/43/356658743.db2.gz VXXQBWXHWOAXFG-QNWHQSFQSA-N 2 1 296.415 -0.206 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[C@@H]1C ZINC000627502983 356658745 /nfs/dbraw/zinc/65/87/45/356658745.db2.gz VXXQBWXHWOAXFG-QNWHQSFQSA-N 2 1 296.415 -0.206 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627502433 356659054 /nfs/dbraw/zinc/65/90/54/356659054.db2.gz WVFLRAOUCOMAQF-QWHCGFSZSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627502156 356659307 /nfs/dbraw/zinc/65/93/07/356659307.db2.gz MKHXDRLDBWSBRN-SDDRHHMPSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@H](C)C1 ZINC000627503962 356659715 /nfs/dbraw/zinc/65/97/15/356659715.db2.gz MWJJPCOUFHHCEY-RWMBFGLXSA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000627504546 356660104 /nfs/dbraw/zinc/66/01/04/356660104.db2.gz UPHVZUMVDOKGGB-IJLUTSLNSA-N 2 1 280.372 -0.983 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000628018753 356684291 /nfs/dbraw/zinc/68/42/91/356684291.db2.gz IWMVDHFCOMPEEU-NWDGAFQWSA-N 2 1 264.329 -0.531 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000628018753 356684295 /nfs/dbraw/zinc/68/42/95/356684295.db2.gz IWMVDHFCOMPEEU-NWDGAFQWSA-N 2 1 264.329 -0.531 20 0 CBADMP c1cnc(N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)nn1 ZINC000629552510 356778740 /nfs/dbraw/zinc/77/87/40/356778740.db2.gz LFXZEVHAHAEHSE-GFCCVEGCSA-N 2 1 290.371 -0.485 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1ncccn1 ZINC000629565260 356779181 /nfs/dbraw/zinc/77/91/81/356779181.db2.gz DQDDZTJWJMKJBG-NSHDSACASA-N 2 1 281.360 -0.029 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1ncccn1 ZINC000629565260 356779183 /nfs/dbraw/zinc/77/91/83/356779183.db2.gz DQDDZTJWJMKJBG-NSHDSACASA-N 2 1 281.360 -0.029 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)Nc1ncccn1 ZINC000629565259 356779544 /nfs/dbraw/zinc/77/95/44/356779544.db2.gz DQDDZTJWJMKJBG-LLVKDONJSA-N 2 1 281.360 -0.029 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)Nc1ncccn1 ZINC000629565259 356779548 /nfs/dbraw/zinc/77/95/48/356779548.db2.gz DQDDZTJWJMKJBG-LLVKDONJSA-N 2 1 281.360 -0.029 20 0 CBADMP C[NH+]1CCC(CC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000629171526 356751186 /nfs/dbraw/zinc/75/11/86/356751186.db2.gz BNMROGGHFLXIKK-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+](CC(=O)NCC[NH+]1CC[C@@H](O)C1)C1CC1 ZINC000629173666 356753237 /nfs/dbraw/zinc/75/32/37/356753237.db2.gz PBTFOJGDCUOZHI-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+](CC(=O)NCC[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000629173666 356753242 /nfs/dbraw/zinc/75/32/42/356753242.db2.gz PBTFOJGDCUOZHI-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH+](CC(=O)NCC[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000629173666 356753245 /nfs/dbraw/zinc/75/32/45/356753245.db2.gz PBTFOJGDCUOZHI-GFCCVEGCSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CC1(CS(C)(=O)=O)CC1 ZINC000629572017 356781211 /nfs/dbraw/zinc/78/12/11/356781211.db2.gz MBYCVEHRCVSXQY-UHFFFAOYSA-N 2 1 278.418 -0.021 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CC1(CS(C)(=O)=O)CC1 ZINC000629572017 356781212 /nfs/dbraw/zinc/78/12/12/356781212.db2.gz MBYCVEHRCVSXQY-UHFFFAOYSA-N 2 1 278.418 -0.021 20 0 CBADMP CCNC(=O)N1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629568058 356780687 /nfs/dbraw/zinc/78/06/87/356780687.db2.gz IJNMPUKWIQNDPU-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)NC1CCOCC1 ZINC000629570188 356780716 /nfs/dbraw/zinc/78/07/16/356780716.db2.gz AFQZZAYZTOIKCR-UHFFFAOYSA-N 2 1 273.377 -0.551 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)NC1CCOCC1 ZINC000629570188 356780719 /nfs/dbraw/zinc/78/07/19/356780719.db2.gz AFQZZAYZTOIKCR-UHFFFAOYSA-N 2 1 273.377 -0.551 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CCn1nc2ccccn2c1=O ZINC000629571269 356780893 /nfs/dbraw/zinc/78/08/93/356780893.db2.gz KBYZYZVPHHRNGQ-UHFFFAOYSA-N 2 1 293.371 -0.336 20 0 CBADMP O[C@H](CNCC[N@H+]1CC[C@H](O)C1)C[NH+]1CCCC1 ZINC000629617567 356788120 /nfs/dbraw/zinc/78/81/20/356788120.db2.gz MHMUBMLGJGHFEO-QWHCGFSZSA-N 2 1 257.378 -0.901 20 0 CBADMP O[C@@H](CNCC[N@H+]1CC[C@H](O)C1)C[NH+]1CCCC1 ZINC000629617568 356788293 /nfs/dbraw/zinc/78/82/93/356788293.db2.gz MHMUBMLGJGHFEO-STQMWFEESA-N 2 1 257.378 -0.901 20 0 CBADMP CCOC[C@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629656290 356788967 /nfs/dbraw/zinc/78/89/67/356788967.db2.gz PCJBBXBJILUMHK-UONOGXRCSA-N 2 1 299.415 -0.079 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000629798820 356794928 /nfs/dbraw/zinc/79/49/28/356794928.db2.gz LGYYMTXABFQPRV-NWDGAFQWSA-N 2 1 284.404 -0.408 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000629799490 356795101 /nfs/dbraw/zinc/79/51/01/356795101.db2.gz HNGBRIPIHSNFLM-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000629799492 356795675 /nfs/dbraw/zinc/79/56/75/356795675.db2.gz HNGBRIPIHSNFLM-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629915166 356807208 /nfs/dbraw/zinc/80/72/08/356807208.db2.gz PSDKTFBMOJGRJA-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP CN(C)c1cc[nH+]cc1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629916006 356808185 /nfs/dbraw/zinc/80/81/85/356808185.db2.gz PZYAUENMMSVAHY-NSHDSACASA-N 2 1 278.356 -0.056 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)O1 ZINC000630090822 356827678 /nfs/dbraw/zinc/82/76/78/356827678.db2.gz LAZYYOKPRLZHRY-BYNQJWBRSA-N 2 1 267.373 -0.036 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)O1 ZINC000630090822 356827683 /nfs/dbraw/zinc/82/76/83/356827683.db2.gz LAZYYOKPRLZHRY-BYNQJWBRSA-N 2 1 267.373 -0.036 20 0 CBADMP C[N@H+](CCOCC[NH3+])CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000629578587 356782450 /nfs/dbraw/zinc/78/24/50/356782450.db2.gz SKHRPFRLZHPJLE-UHFFFAOYSA-N 3 1 298.431 -0.364 20 0 CBADMP C[N@@H+](CCOCC[NH3+])CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000629578587 356782452 /nfs/dbraw/zinc/78/24/52/356782452.db2.gz SKHRPFRLZHPJLE-UHFFFAOYSA-N 3 1 298.431 -0.364 20 0 CBADMP CCC[C@H](O)[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629584601 356783696 /nfs/dbraw/zinc/78/36/96/356783696.db2.gz TUJFOCTYLSZURE-UPJWGTAASA-N 2 1 260.378 -0.445 20 0 CBADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000629595709 356785155 /nfs/dbraw/zinc/78/51/55/356785155.db2.gz VINGYSBNAJCYJL-LLVKDONJSA-N 2 1 279.406 -0.777 20 0 CBADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000629594185 356785158 /nfs/dbraw/zinc/78/51/58/356785158.db2.gz LZMLYHWOAKZJOL-OKILXGFUSA-N 3 1 252.406 -0.177 20 0 CBADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000629594185 356785159 /nfs/dbraw/zinc/78/51/59/356785159.db2.gz LZMLYHWOAKZJOL-OKILXGFUSA-N 3 1 252.406 -0.177 20 0 CBADMP CN1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000631784569 356906885 /nfs/dbraw/zinc/90/68/85/356906885.db2.gz ZHHYEOWBXUUNDF-VXGBXAGGSA-N 2 1 291.417 -0.669 20 0 CBADMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCc2ncnn21 ZINC000631821071 356908936 /nfs/dbraw/zinc/90/89/36/356908936.db2.gz OAOSDYPNWWIISH-NSHDSACASA-N 2 1 278.360 -0.871 20 0 CBADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCc2ncnn21 ZINC000631821071 356908940 /nfs/dbraw/zinc/90/89/40/356908940.db2.gz OAOSDYPNWWIISH-NSHDSACASA-N 2 1 278.360 -0.871 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841610 356911193 /nfs/dbraw/zinc/91/11/93/356911193.db2.gz NAOOVSVVWTUGME-FVCCEPFGSA-N 2 1 296.415 -0.375 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1CCC(=O)N1CC[NH+](C)CC1 ZINC000631861600 356913736 /nfs/dbraw/zinc/91/37/36/356913736.db2.gz FLAOEPHWFPVLMB-NEPJUHHUSA-N 2 1 254.378 -0.428 20 0 CBADMP O=C1CNC(=O)N1CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886492 356915875 /nfs/dbraw/zinc/91/58/75/356915875.db2.gz IGAWAITVFCPZMP-QWRGUYRKSA-N 2 1 266.345 -0.388 20 0 CBADMP O=C1CNC(=O)N1CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886492 356915878 /nfs/dbraw/zinc/91/58/78/356915878.db2.gz IGAWAITVFCPZMP-QWRGUYRKSA-N 2 1 266.345 -0.388 20 0 CBADMP C[NH2+][C@@H]1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000631901005 356918056 /nfs/dbraw/zinc/91/80/56/356918056.db2.gz OMJMLLFXSLHGDL-SNVBAGLBSA-N 2 1 261.391 -0.296 20 0 CBADMP CC(C)[C@H]([NH3+])CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631905393 356920474 /nfs/dbraw/zinc/92/04/74/356920474.db2.gz LVPLPGQBXPWAKD-SNVBAGLBSA-N 2 1 263.407 -0.017 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000631935313 356928303 /nfs/dbraw/zinc/92/83/03/356928303.db2.gz SUIZEFBAVNDROZ-UHFFFAOYSA-N 2 1 273.402 -0.080 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000631951886 356932628 /nfs/dbraw/zinc/93/26/28/356932628.db2.gz SMYYPOZQCZMHEX-UHFFFAOYSA-N 2 1 273.402 -0.167 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N1CC[NH2+]C(C)(C)C1 ZINC000631952309 356932734 /nfs/dbraw/zinc/93/27/34/356932734.db2.gz CXXHQSTUCVQPKA-UHFFFAOYSA-N 2 1 263.407 -0.048 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000631968227 356936749 /nfs/dbraw/zinc/93/67/49/356936749.db2.gz AYCXAKMVOKAERF-UWVGGRQHSA-N 2 1 259.375 -0.544 20 0 CBADMP COCC[N@H+]1CC[C@@H](NS(=O)(=O)CCC[NH+](C)C)C1 ZINC000632255455 356964318 /nfs/dbraw/zinc/96/43/18/356964318.db2.gz TUVMLXVHZDHWLX-GFCCVEGCSA-N 2 1 293.433 -0.422 20 0 CBADMP C[NH+](C)CCCS(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000632287055 356968571 /nfs/dbraw/zinc/96/85/71/356968571.db2.gz UFMUKGZRBOFTLV-TXEJJXNPSA-N 2 1 275.418 -0.239 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H]1C ZINC000633095876 357044616 /nfs/dbraw/zinc/04/46/16/357044616.db2.gz ZLXSHVIPSIDZEY-NDBYEHHHSA-N 2 1 294.399 -0.500 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H]1C ZINC000633095876 357044617 /nfs/dbraw/zinc/04/46/17/357044617.db2.gz ZLXSHVIPSIDZEY-NDBYEHHHSA-N 2 1 294.399 -0.500 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633100836 357045626 /nfs/dbraw/zinc/04/56/26/357045626.db2.gz XCTRLBKCPPUVIH-AVGNSLFASA-N 2 1 294.399 -0.641 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633103546 357045878 /nfs/dbraw/zinc/04/58/78/357045878.db2.gz PZCLUACPUKGMOF-XQQFMLRXSA-N 2 1 294.399 -0.500 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C[C@H]1C[NH3+] ZINC000633106789 357046879 /nfs/dbraw/zinc/04/68/79/357046879.db2.gz MQNWXXFQUNZDSJ-JHJVBQTASA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)[N@H+]1C ZINC000633115142 357049629 /nfs/dbraw/zinc/04/96/29/357049629.db2.gz NXBPRPULLXLTRS-MPZDIEGVSA-N 2 1 294.399 -0.500 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)[N@@H+]1C ZINC000633115142 357049633 /nfs/dbraw/zinc/04/96/33/357049633.db2.gz NXBPRPULLXLTRS-MPZDIEGVSA-N 2 1 294.399 -0.500 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1C[NH3+] ZINC000634999388 357142134 /nfs/dbraw/zinc/14/21/34/357142134.db2.gz TYXCNVXCVXPDTH-JHJVBQTASA-N 3 1 268.405 -0.290 20 0 CBADMP Cn1cc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)c(=O)n(C)c1=O ZINC000634997854 357142571 /nfs/dbraw/zinc/14/25/71/357142571.db2.gz UVYLOZWJAICTMX-LBPRGKRZSA-N 2 1 280.372 -0.213 20 0 CBADMP Cn1cc(C[N@H+]2CCCCC[C@H]([NH3+])C2)c(=O)n(C)c1=O ZINC000634997854 357142572 /nfs/dbraw/zinc/14/25/72/357142572.db2.gz UVYLOZWJAICTMX-LBPRGKRZSA-N 2 1 280.372 -0.213 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635525767 357173004 /nfs/dbraw/zinc/17/30/04/357173004.db2.gz KMETZCKQXIKOMW-BETUJISGSA-N 2 1 282.388 -0.146 20 0 CBADMP C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+](C)C ZINC000635489913 357168200 /nfs/dbraw/zinc/16/82/00/357168200.db2.gz ZPUKMBUOEYOUHX-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)N(C)C ZINC000635502884 357170430 /nfs/dbraw/zinc/17/04/30/357170430.db2.gz MPXJJOBZDWIQRV-GFCCVEGCSA-N 2 1 258.410 -0.112 20 0 CBADMP C[C@](O)(C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000634718842 357129123 /nfs/dbraw/zinc/12/91/23/357129123.db2.gz JZKVKZXJAWMHIE-ZNMIVQPWSA-N 2 1 286.416 -0.055 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634735713 357130912 /nfs/dbraw/zinc/13/09/12/357130912.db2.gz OTXSFWRSHKITPS-RWMBFGLXSA-N 2 1 267.373 -0.238 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000635801661 357210020 /nfs/dbraw/zinc/21/00/20/357210020.db2.gz LSLILCLCGWFOOF-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000635801661 357210022 /nfs/dbraw/zinc/21/00/22/357210022.db2.gz LSLILCLCGWFOOF-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000635801661 357210023 /nfs/dbraw/zinc/21/00/23/357210023.db2.gz LSLILCLCGWFOOF-WCQYABFASA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)[NH+](C)C ZINC000635928458 357235989 /nfs/dbraw/zinc/23/59/89/357235989.db2.gz GPFUKRFWVZOCBB-WOPDTQHZSA-N 2 1 255.362 -0.396 20 0 CBADMP CC[NH+](CC)CCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636445437 357285381 /nfs/dbraw/zinc/28/53/81/357285381.db2.gz KGXVDEBJWWERJT-GFCCVEGCSA-N 2 1 272.393 -0.306 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000636820713 357305245 /nfs/dbraw/zinc/30/52/45/357305245.db2.gz ZEIYQGTWTAIWHE-KGLIPLIRSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000636820713 357305248 /nfs/dbraw/zinc/30/52/48/357305248.db2.gz ZEIYQGTWTAIWHE-KGLIPLIRSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000636820713 357305249 /nfs/dbraw/zinc/30/52/49/357305249.db2.gz ZEIYQGTWTAIWHE-KGLIPLIRSA-N 2 1 296.415 -0.164 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC000636012448 357250763 /nfs/dbraw/zinc/25/07/63/357250763.db2.gz UYVZDJNJUQNRNS-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC000636012448 357250767 /nfs/dbraw/zinc/25/07/67/357250767.db2.gz UYVZDJNJUQNRNS-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636012448 357250770 /nfs/dbraw/zinc/25/07/70/357250770.db2.gz UYVZDJNJUQNRNS-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636012448 357250774 /nfs/dbraw/zinc/25/07/74/357250774.db2.gz UYVZDJNJUQNRNS-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000636291440 357277536 /nfs/dbraw/zinc/27/75/36/357277536.db2.gz KORUXUYCCISLCK-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000636291440 357277538 /nfs/dbraw/zinc/27/75/38/357277538.db2.gz KORUXUYCCISLCK-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000636291440 357277539 /nfs/dbraw/zinc/27/75/39/357277539.db2.gz KORUXUYCCISLCK-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@@H+]1CCCC[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000637812646 357369330 /nfs/dbraw/zinc/36/93/30/357369330.db2.gz AULLWWXQSJSIOC-NSHDSACASA-N 2 1 268.361 -0.981 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000637812646 357369336 /nfs/dbraw/zinc/36/93/36/357369336.db2.gz AULLWWXQSJSIOC-NSHDSACASA-N 2 1 268.361 -0.981 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH3+])C1 ZINC000637821876 357371602 /nfs/dbraw/zinc/37/16/02/357371602.db2.gz DVMQZORLBGLSMN-LBPRGKRZSA-N 2 1 273.377 -0.469 20 0 CBADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000637835059 357374154 /nfs/dbraw/zinc/37/41/54/357374154.db2.gz JPCJVVWYSCISDQ-KBPBESRZSA-N 2 1 296.415 -0.787 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000636907201 357311448 /nfs/dbraw/zinc/31/14/48/357311448.db2.gz LUXPAJSWVRIAQY-MBNYWOFBSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C[NH+]1C1CC1 ZINC000636907201 357311452 /nfs/dbraw/zinc/31/14/52/357311452.db2.gz LUXPAJSWVRIAQY-MBNYWOFBSA-N 2 1 296.415 -0.023 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C[NH+]1C1CC1 ZINC000636907201 357311456 /nfs/dbraw/zinc/31/14/56/357311456.db2.gz LUXPAJSWVRIAQY-MBNYWOFBSA-N 2 1 296.415 -0.023 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000637842666 357375094 /nfs/dbraw/zinc/37/50/94/357375094.db2.gz VSAPCBDOLWBIJT-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP O=C(NCC[NH2+]C1CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000637347934 357339821 /nfs/dbraw/zinc/33/98/21/357339821.db2.gz NVCBHCGDBJPBID-ZDUSSCGKSA-N 2 1 284.404 -0.116 20 0 CBADMP C[NH2+]CCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000637558796 357358415 /nfs/dbraw/zinc/35/84/15/357358415.db2.gz BBHPRZVTRMRYRE-LBPRGKRZSA-N 2 1 270.377 -0.288 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000637798366 357365031 /nfs/dbraw/zinc/36/50/31/357365031.db2.gz XECIXYMIQJVMQK-ZDUSSCGKSA-N 2 1 287.404 -0.079 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000637800776 357366834 /nfs/dbraw/zinc/36/68/34/357366834.db2.gz DVMQZORLBGLSMN-GFCCVEGCSA-N 2 1 273.377 -0.469 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000638048907 357404887 /nfs/dbraw/zinc/40/48/87/357404887.db2.gz WUBDMQHEMWYPTC-GXTWGEPZSA-N 2 1 285.388 -0.408 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000638048908 357405259 /nfs/dbraw/zinc/40/52/59/357405259.db2.gz WUBDMQHEMWYPTC-JSGCOSHPSA-N 2 1 285.388 -0.408 20 0 CBADMP COCC[NH+]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638055146 357406088 /nfs/dbraw/zinc/40/60/88/357406088.db2.gz GWNAMVSWDWLYTP-GFCCVEGCSA-N 2 1 253.346 -0.176 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638060360 357407673 /nfs/dbraw/zinc/40/76/73/357407673.db2.gz UJEIABGVNBSKHM-ZDUSSCGKSA-N 2 1 255.362 -0.083 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000638070094 357409883 /nfs/dbraw/zinc/40/98/83/357409883.db2.gz WXQKHEUYSNJNMN-AAEUAGOBSA-N 2 1 287.429 -0.082 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638239858 357442262 /nfs/dbraw/zinc/44/22/62/357442262.db2.gz DYXGYYXBQKVFLF-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638071162 357410074 /nfs/dbraw/zinc/41/00/74/357410074.db2.gz GFTROFYLTPWOMF-ZDUSSCGKSA-N 2 1 273.377 -0.551 20 0 CBADMP C[C@@]1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000638071622 357410423 /nfs/dbraw/zinc/41/04/23/357410423.db2.gz GEDPIDBLKHREGM-RISCZKNCSA-N 2 1 267.373 -0.035 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638072083 357410558 /nfs/dbraw/zinc/41/05/58/357410558.db2.gz PUEUUELDRNRNOP-GRYCIOLGSA-N 2 1 255.362 -0.097 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000638072273 357411288 /nfs/dbraw/zinc/41/12/88/357411288.db2.gz LWIKYDFWUQBYLY-NTZNESFSSA-N 2 1 255.362 -0.179 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000638254667 357444275 /nfs/dbraw/zinc/44/42/75/357444275.db2.gz VWBGJIVIIAKVBY-DRZSPHRISA-N 2 1 273.352 -0.087 20 0 CBADMP C[N@@H+](CCNC(=O)[C@]1(C[NH3+])CCCOC1)C1CC1 ZINC000638085320 357413785 /nfs/dbraw/zinc/41/37/85/357413785.db2.gz XSYWGSIYWMOTQS-ZDUSSCGKSA-N 2 1 255.362 -0.048 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000638090688 357414117 /nfs/dbraw/zinc/41/41/17/357414117.db2.gz KHEKLHGSDSQUAP-YDHLFZDLSA-N 2 1 299.415 -0.162 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638091714 357414236 /nfs/dbraw/zinc/41/42/36/357414236.db2.gz QHGRMWPRKCGMJE-LBPRGKRZSA-N 2 1 259.350 -0.941 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638090925 357414769 /nfs/dbraw/zinc/41/47/69/357414769.db2.gz IWSNMZIWECFPPD-WCQYABFASA-N 2 1 273.377 -0.552 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000638090687 357414890 /nfs/dbraw/zinc/41/48/90/357414890.db2.gz KHEKLHGSDSQUAP-VNHYZAJKSA-N 2 1 299.415 -0.162 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000638098003 357416056 /nfs/dbraw/zinc/41/60/56/357416056.db2.gz CIZQUTZHKUIURU-ZDUSSCGKSA-N 2 1 284.404 -0.881 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@]2(C[NH3+])CCCOC2)n1C ZINC000638108692 357418998 /nfs/dbraw/zinc/41/89/98/357418998.db2.gz ADJJCCNCAADURK-AWEZNQCLSA-N 2 1 295.387 -0.142 20 0 CBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000638112629 357420955 /nfs/dbraw/zinc/42/09/55/357420955.db2.gz ZUANABRBJKRHDN-SMDDNHRTSA-N 2 1 295.387 -0.131 20 0 CBADMP C[C@H]1C[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[N@H+]1C1CC1 ZINC000638132257 357423317 /nfs/dbraw/zinc/42/33/17/357423317.db2.gz FXJJJCRNRYZQBD-FSZOTQKASA-N 2 1 253.346 -0.156 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638127372 357423376 /nfs/dbraw/zinc/42/33/76/357423376.db2.gz VKHUPAOFVLHBCK-WCQYABFASA-N 2 1 255.362 -0.177 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000638125554 357423398 /nfs/dbraw/zinc/42/33/98/357423398.db2.gz KMZCQEYEEJBZRL-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCC[NH+]2CCN(C)CC2)C1 ZINC000638137259 357423899 /nfs/dbraw/zinc/42/38/99/357423899.db2.gz SKYPZQKZDWDHPJ-ZFWWWQNUSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638134735 357424475 /nfs/dbraw/zinc/42/44/75/357424475.db2.gz OIFVKIGMXNDBEA-PDEGPIFNSA-N 2 1 253.346 -0.299 20 0 CBADMP CCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000638148059 357426064 /nfs/dbraw/zinc/42/60/64/357426064.db2.gz VGCXJEPIPPUBRT-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638142416 357426496 /nfs/dbraw/zinc/42/64/96/357426496.db2.gz ZSIXDJSJENZVQW-YPMHNXCESA-N 2 1 266.389 -0.214 20 0 CBADMP CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000638148062 357426503 /nfs/dbraw/zinc/42/65/03/357426503.db2.gz VGCXJEPIPPUBRT-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP [NH3+][C@H](CNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000638154821 357427457 /nfs/dbraw/zinc/42/74/57/357427457.db2.gz RHSWJNNTIWQZTI-UTUOFQBUSA-N 2 1 253.346 -0.297 20 0 CBADMP C[C@H](C[NH3+])NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638171187 357431525 /nfs/dbraw/zinc/43/15/25/357431525.db2.gz PKICJPIUYPLKQQ-YPMHNXCESA-N 2 1 264.373 -0.091 20 0 CBADMP C[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638171187 357431526 /nfs/dbraw/zinc/43/15/26/357431526.db2.gz PKICJPIUYPLKQQ-YPMHNXCESA-N 2 1 264.373 -0.091 20 0 CBADMP [NH3+][C@H]1CC=C(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000638174029 357431956 /nfs/dbraw/zinc/43/19/56/357431956.db2.gz MZQXUWFWMIWFQE-QWHCGFSZSA-N 2 1 292.383 -0.543 20 0 CBADMP CC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000638222531 357436417 /nfs/dbraw/zinc/43/64/17/357436417.db2.gz OARBFOCUGOZFAW-GHMZBOCLSA-N 2 1 265.361 -0.109 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000638253326 357443754 /nfs/dbraw/zinc/44/37/54/357443754.db2.gz LGIXVKIQDNVLKO-LBPRGKRZSA-N 2 1 258.341 -0.948 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638230240 357439412 /nfs/dbraw/zinc/43/94/12/357439412.db2.gz ULILPCCAKBYNCQ-CYBMUJFWSA-N 2 1 277.372 -0.302 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000637866879 357378969 /nfs/dbraw/zinc/37/89/69/357378969.db2.gz QSKQRXYOPQDATK-MNOVXSKESA-N 2 1 252.318 -0.234 20 0 CBADMP CN1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C[NH3+])C1 ZINC000637865935 357379293 /nfs/dbraw/zinc/37/92/93/357379293.db2.gz GNWXCLUWLDPWMJ-NEPJUHHUSA-N 2 1 254.378 -0.428 20 0 CBADMP CN1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C[NH3+])C1 ZINC000637866347 357379437 /nfs/dbraw/zinc/37/94/37/357379437.db2.gz KXRNSONKKJYAQN-NWDGAFQWSA-N 2 1 254.378 -0.571 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CCO1 ZINC000637867157 357380063 /nfs/dbraw/zinc/38/00/63/357380063.db2.gz RXPCDJSAIVJYOF-ZDEQEGDKSA-N 2 1 283.372 -0.576 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC000637867687 357380469 /nfs/dbraw/zinc/38/04/69/357380469.db2.gz UMKHXXBKVVGXSM-WRWGMCAJSA-N 2 1 271.361 -0.720 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC000637867687 357380472 /nfs/dbraw/zinc/38/04/72/357380472.db2.gz UMKHXXBKVVGXSM-WRWGMCAJSA-N 2 1 271.361 -0.720 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000637868576 357380571 /nfs/dbraw/zinc/38/05/71/357380571.db2.gz XYHSOZGWECSIBP-MWLCHTKSSA-N 2 1 252.318 -0.234 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000638593021 357499727 /nfs/dbraw/zinc/49/97/27/357499727.db2.gz ZAXVLSXEJRAGNO-ZDUSSCGKSA-N 2 1 286.420 -0.683 20 0 CBADMP C[C@]1(C(=O)N2CC[NH2+]C[C@](C)(F)C2)C[NH2+]CCO1 ZINC000638253463 357444391 /nfs/dbraw/zinc/44/43/91/357444391.db2.gz NZCKOMGJVKLYSI-NWDGAFQWSA-N 2 1 259.325 -0.475 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000638266270 357446251 /nfs/dbraw/zinc/44/62/51/357446251.db2.gz PNJOXDFVKLHREG-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)O1 ZINC000638270649 357447404 /nfs/dbraw/zinc/44/74/04/357447404.db2.gz ZVVODZQYTNTKCV-WRWGMCAJSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)O1 ZINC000638270649 357447409 /nfs/dbraw/zinc/44/74/09/357447409.db2.gz ZVVODZQYTNTKCV-WRWGMCAJSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@@]1(C(=O)NCC[N@@H+]2CCCOCC2)C[NH2+]CCO1 ZINC000638294699 357453547 /nfs/dbraw/zinc/45/35/47/357453547.db2.gz QLALWBZCGMTXNT-ZDUSSCGKSA-N 2 1 271.361 -0.797 20 0 CBADMP C[C@@]1(C(=O)NCC[N@H+]2CCCOCC2)C[NH2+]CCO1 ZINC000638294699 357453550 /nfs/dbraw/zinc/45/35/50/357453550.db2.gz QLALWBZCGMTXNT-ZDUSSCGKSA-N 2 1 271.361 -0.797 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638368269 357463231 /nfs/dbraw/zinc/46/32/31/357463231.db2.gz UNGGOLZUTSTRGV-OAHLLOKOSA-N 2 1 299.415 -0.066 20 0 CBADMP [NH3+]C[C@]1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CCCOC1 ZINC000638423897 357472667 /nfs/dbraw/zinc/47/26/67/357472667.db2.gz CRQFZLWNCRHSNV-DZGCQCFKSA-N 2 1 296.415 -0.752 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638619952 357510531 /nfs/dbraw/zinc/51/05/31/357510531.db2.gz WRYMQLMCBJWZIQ-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP CC1(C)CC[NH2+][C@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000638495038 357485475 /nfs/dbraw/zinc/48/54/75/357485475.db2.gz DOUPFQPIOPRQJS-RYUDHWBXSA-N 2 1 296.415 -0.170 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000638496542 357486461 /nfs/dbraw/zinc/48/64/61/357486461.db2.gz UFOOYOYCXPYKGK-STQMWFEESA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)NCC2([NH3+])CCOCC2)O1 ZINC000638541532 357494051 /nfs/dbraw/zinc/49/40/51/357494051.db2.gz IRZMAJQBYSMARN-MNOVXSKESA-N 2 1 271.361 -0.670 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)NCC2([NH3+])CCOCC2)O1 ZINC000638541532 357494056 /nfs/dbraw/zinc/49/40/56/357494056.db2.gz IRZMAJQBYSMARN-MNOVXSKESA-N 2 1 271.361 -0.670 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638764841 357527363 /nfs/dbraw/zinc/52/73/63/357527363.db2.gz BRYDNDRAZXWRGQ-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914405 357542698 /nfs/dbraw/zinc/54/26/98/357542698.db2.gz ADAMSUYEJIOJSF-UTLUCORTSA-N 2 1 261.329 -0.327 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638933711 357546106 /nfs/dbraw/zinc/54/61/06/357546106.db2.gz ZDMZJLCCVQMHEX-QWHCGFSZSA-N 2 1 287.404 -0.081 20 0 CBADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000639049285 357556069 /nfs/dbraw/zinc/55/60/69/357556069.db2.gz MQSFMEGOKLNIOP-ZDUSSCGKSA-N 2 1 299.396 -0.510 20 0 CBADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000639049285 357556073 /nfs/dbraw/zinc/55/60/73/357556073.db2.gz MQSFMEGOKLNIOP-ZDUSSCGKSA-N 2 1 299.396 -0.510 20 0 CBADMP CO[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@H]1CCOC1 ZINC000639049580 357556118 /nfs/dbraw/zinc/55/61/18/357556118.db2.gz VHQVUXNDQBJIEP-XQQFMLRXSA-N 2 1 258.362 -0.306 20 0 CBADMP CO[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000639049580 357556121 /nfs/dbraw/zinc/55/61/21/357556121.db2.gz VHQVUXNDQBJIEP-XQQFMLRXSA-N 2 1 258.362 -0.306 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](n2ccnn2)C1 ZINC000639706146 357586435 /nfs/dbraw/zinc/58/64/35/357586435.db2.gz ABXCGYPFDRLIQU-OLZOCXBDSA-N 2 1 283.376 -0.536 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](n2ccnn2)C1 ZINC000639706146 357586439 /nfs/dbraw/zinc/58/64/39/357586439.db2.gz ABXCGYPFDRLIQU-OLZOCXBDSA-N 2 1 283.376 -0.536 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](n2ccnn2)C1 ZINC000639706140 357586776 /nfs/dbraw/zinc/58/67/76/357586776.db2.gz ABXCGYPFDRLIQU-CHWSQXEVSA-N 2 1 283.376 -0.536 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](n2ccnn2)C1 ZINC000639706140 357586777 /nfs/dbraw/zinc/58/67/77/357586777.db2.gz ABXCGYPFDRLIQU-CHWSQXEVSA-N 2 1 283.376 -0.536 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000639762201 357596417 /nfs/dbraw/zinc/59/64/17/357596417.db2.gz KSJSLXMSPVBFOF-HNNXBMFYSA-N 2 1 298.431 -0.851 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CC2(O)CCOCC2)C1 ZINC000639760985 357596428 /nfs/dbraw/zinc/59/64/28/357596428.db2.gz JUKFSRCDUVQXTC-CQSZACIVSA-N 2 1 272.389 -0.084 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC2(O)CCOCC2)C1 ZINC000639760985 357596430 /nfs/dbraw/zinc/59/64/30/357596430.db2.gz JUKFSRCDUVQXTC-CQSZACIVSA-N 2 1 272.389 -0.084 20 0 CBADMP CCOC[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761744 357596519 /nfs/dbraw/zinc/59/65/19/357596519.db2.gz IYWBQHIMYZONRS-CHWSQXEVSA-N 2 1 260.378 -0.228 20 0 CBADMP CCOC[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761744 357596521 /nfs/dbraw/zinc/59/65/21/357596521.db2.gz IYWBQHIMYZONRS-CHWSQXEVSA-N 2 1 260.378 -0.228 20 0 CBADMP COCCOC[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767853 357597577 /nfs/dbraw/zinc/59/75/77/357597577.db2.gz UESQENGUHNRFNS-ZIAGYGMSSA-N 2 1 290.404 -0.601 20 0 CBADMP COCCOC[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767853 357597579 /nfs/dbraw/zinc/59/75/79/357597579.db2.gz UESQENGUHNRFNS-ZIAGYGMSSA-N 2 1 290.404 -0.601 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000640676431 357662333 /nfs/dbraw/zinc/66/23/33/357662333.db2.gz JHQIDDCJCNCLSH-RKDXNWHRSA-N 2 1 262.304 -0.026 20 0 CBADMP COC1CC[NH+](CCNC(=O)NCC(F)(F)C[NH3+])CC1 ZINC000640715832 357662780 /nfs/dbraw/zinc/66/27/80/357662780.db2.gz QJXPRMPGBFJHJT-UHFFFAOYSA-N 2 1 294.346 -0.010 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)n2cc(CC[NH3+])nn2)CC1 ZINC000640830596 357666225 /nfs/dbraw/zinc/66/62/25/357666225.db2.gz KWOWYBAOPLARNE-NSHDSACASA-N 2 1 280.376 -0.496 20 0 CBADMP Cc1[nH+]ccn1CCn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000640986590 357670822 /nfs/dbraw/zinc/67/08/22/357670822.db2.gz YVUOQTKUYYRUCK-UHFFFAOYSA-N 2 1 289.387 -0.069 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641220773 357681043 /nfs/dbraw/zinc/68/10/43/357681043.db2.gz FJYFZPDMIHLEGD-CQSZACIVSA-N 2 1 296.419 -0.616 20 0 CBADMP CC[N@H+](C)C[C@@H](O)Cn1cc(C[NH+]2CCC[C@@H]2CO)nn1 ZINC000641221427 357681576 /nfs/dbraw/zinc/68/15/76/357681576.db2.gz GEQRETPWWYULRK-ZIAGYGMSSA-N 2 1 297.403 -0.453 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)Cn1cc(C[NH+]2CCC[C@@H]2CO)nn1 ZINC000641221427 357681580 /nfs/dbraw/zinc/68/15/80/357681580.db2.gz GEQRETPWWYULRK-ZIAGYGMSSA-N 2 1 297.403 -0.453 20 0 CBADMP CC[NH+](C)C[C@@H](O)Cn1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000641221427 357681587 /nfs/dbraw/zinc/68/15/87/357681587.db2.gz GEQRETPWWYULRK-ZIAGYGMSSA-N 2 1 297.403 -0.453 20 0 CBADMP CC[NH+](C)C[C@@H](O)Cn1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000641221427 357681592 /nfs/dbraw/zinc/68/15/92/357681592.db2.gz GEQRETPWWYULRK-ZIAGYGMSSA-N 2 1 297.403 -0.453 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)Cn1cc(CC[NH+](C)C)nn1 ZINC000641222370 357681909 /nfs/dbraw/zinc/68/19/09/357681909.db2.gz KFUVACGCHXXUMO-ZDUSSCGKSA-N 2 1 285.392 -0.679 20 0 CBADMP NS(=O)(=O)CCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000641799471 357743319 /nfs/dbraw/zinc/74/33/19/357743319.db2.gz OGYKREKGFBIXMC-LLVKDONJSA-N 2 1 261.391 -0.260 20 0 CBADMP NS(=O)(=O)CCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000641799471 357743321 /nfs/dbraw/zinc/74/33/21/357743321.db2.gz OGYKREKGFBIXMC-LLVKDONJSA-N 2 1 261.391 -0.260 20 0 CBADMP CC(=O)N1CCN(C(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641808012 357743823 /nfs/dbraw/zinc/74/38/23/357743823.db2.gz XBJRDARGISYMHJ-VXGBXAGGSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H](NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)N(C)C ZINC000641803037 357744329 /nfs/dbraw/zinc/74/43/29/357744329.db2.gz CJYAQRDQDAPLLP-GUBZILKMSA-N 2 1 270.377 -0.705 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641824396 357745612 /nfs/dbraw/zinc/74/56/12/357745612.db2.gz IKLCNUGMOKQLLG-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641824396 357745614 /nfs/dbraw/zinc/74/56/14/357745614.db2.gz IKLCNUGMOKQLLG-NEPJUHHUSA-N 2 1 296.415 -0.265 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1(C)C ZINC000641823853 357745620 /nfs/dbraw/zinc/74/56/20/357745620.db2.gz BFGNBEMQBNCPGA-NSHDSACASA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1(C)C ZINC000641823853 357745622 /nfs/dbraw/zinc/74/56/22/357745622.db2.gz BFGNBEMQBNCPGA-NSHDSACASA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1(C)C ZINC000641825399 357746688 /nfs/dbraw/zinc/74/66/88/357746688.db2.gz UFLBSXXGZHGRAO-SNVBAGLBSA-N 2 1 268.361 -0.901 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1(C)C ZINC000641825399 357746690 /nfs/dbraw/zinc/74/66/90/357746690.db2.gz UFLBSXXGZHGRAO-SNVBAGLBSA-N 2 1 268.361 -0.901 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000641995223 357749262 /nfs/dbraw/zinc/74/92/62/357749262.db2.gz LJBNVHWSDHIIND-KBPBESRZSA-N 2 1 297.447 -0.128 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000641995225 357749917 /nfs/dbraw/zinc/74/99/17/357749917.db2.gz LJBNVHWSDHIIND-UONOGXRCSA-N 2 1 297.447 -0.128 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642431209 357754503 /nfs/dbraw/zinc/75/45/03/357754503.db2.gz WOYZXRIWIZBLBO-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000642535617 357756316 /nfs/dbraw/zinc/75/63/16/357756316.db2.gz RFGQSBAXFLMRPT-NEPJUHHUSA-N 2 1 294.399 -0.402 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643065048 357776730 /nfs/dbraw/zinc/77/67/30/357776730.db2.gz QWIUTAQJNSZWDK-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000642732139 357760115 /nfs/dbraw/zinc/76/01/15/357760115.db2.gz FCCHEUXBPOHERP-QWRGUYRKSA-N 2 1 270.377 -0.702 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642755910 357761056 /nfs/dbraw/zinc/76/10/56/357761056.db2.gz ZHHNZGSIPYTWFM-UWVGGRQHSA-N 2 1 258.366 -0.704 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000642773332 357761383 /nfs/dbraw/zinc/76/13/83/357761383.db2.gz QXISLXNUXZYIDN-VXGBXAGGSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785779 357761990 /nfs/dbraw/zinc/76/19/90/357761990.db2.gz JPGZPRAGDRUCLL-CYBMUJFWSA-N 2 1 296.415 -0.297 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785656 357762025 /nfs/dbraw/zinc/76/20/25/357762025.db2.gz BWYCHDRDYUOSHP-CHWSQXEVSA-N 2 1 294.399 -0.545 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000642786017 357762144 /nfs/dbraw/zinc/76/21/44/357762144.db2.gz XFOIRNLKUPPLSV-QWHCGFSZSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1[NH3+] ZINC000642785630 357762357 /nfs/dbraw/zinc/76/23/57/357762357.db2.gz AFGSBUURASPMGR-KGYLQXTDSA-N 2 1 294.399 -0.608 20 0 CBADMP [NH3+][C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000642785845 357762745 /nfs/dbraw/zinc/76/27/45/357762745.db2.gz MSNWDOWVSBVUAS-STQMWFEESA-N 2 1 294.399 -0.560 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000642896296 357764626 /nfs/dbraw/zinc/76/46/26/357764626.db2.gz AVOTVNQJFZLBDT-GFCCVEGCSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642902393 357765313 /nfs/dbraw/zinc/76/53/13/357765313.db2.gz RJRSDQCCMNBHMZ-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642903644 357765825 /nfs/dbraw/zinc/76/58/25/357765825.db2.gz MROAWFAEISGABD-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642905125 357766497 /nfs/dbraw/zinc/76/64/97/357766497.db2.gz GZGQLYOXAYFVNR-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642904365 357766768 /nfs/dbraw/zinc/76/67/68/357766768.db2.gz UOABEOLSMRBNNC-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000642909332 357767180 /nfs/dbraw/zinc/76/71/80/357767180.db2.gz KTRWIBOKFGAIFZ-UTUOFQBUSA-N 2 1 284.404 -0.171 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642911203 357768475 /nfs/dbraw/zinc/76/84/75/357768475.db2.gz YKMHKEOMJLNXSL-WDEREUQCSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642911203 357768480 /nfs/dbraw/zinc/76/84/80/357768480.db2.gz YKMHKEOMJLNXSL-WDEREUQCSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919109 357770333 /nfs/dbraw/zinc/77/03/33/357770333.db2.gz OMLCRHRVYPXTEM-CYBMUJFWSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642920078 357770968 /nfs/dbraw/zinc/77/09/68/357770968.db2.gz XKCIPRZQVWMJDR-UHFFFAOYSA-N 2 1 296.415 -0.345 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000642979361 357773701 /nfs/dbraw/zinc/77/37/01/357773701.db2.gz YPQYYOXGNBOENJ-LLVKDONJSA-N 2 1 280.372 -0.709 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000643594223 357792623 /nfs/dbraw/zinc/79/26/23/357792623.db2.gz OFDGNMCCHTXXRT-OLZOCXBDSA-N 2 1 294.399 -0.641 20 0 CBADMP C[C@H](NCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000643472343 357784064 /nfs/dbraw/zinc/78/40/64/357784064.db2.gz YVDKZMAHUGTLII-QWHCGFSZSA-N 2 1 268.405 -0.119 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000643471905 357784176 /nfs/dbraw/zinc/78/41/76/357784176.db2.gz PEKYGBXBDLMMQD-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000643468762 357784285 /nfs/dbraw/zinc/78/42/85/357784285.db2.gz UHWWUZGXIYTULY-RYUDHWBXSA-N 2 1 275.418 0.000 20 0 CBADMP C[N@H+]1CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000643500302 357785761 /nfs/dbraw/zinc/78/57/61/357785761.db2.gz ABLSHPYCSJADGW-MELADBBJSA-N 3 1 280.416 -0.119 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000643516019 357787152 /nfs/dbraw/zinc/78/71/52/357787152.db2.gz NCSOFVQMOTZBLV-GFCCVEGCSA-N 2 1 294.399 -0.497 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000342690717 283316097 /nfs/dbraw/zinc/31/60/97/283316097.db2.gz GLLURNZGXKSAGD-AAEUAGOBSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[N@@H+]1CCCN(CC[NH2+]C(C)C)CC1 ZINC000366752791 283318214 /nfs/dbraw/zinc/31/82/14/283318214.db2.gz PTPQRSXIIZRKSI-UHFFFAOYSA-N 2 1 256.394 -0.262 20 0 CBADMP CNC(=O)C[N@H+]1CCCN(CC[NH2+]C(C)C)CC1 ZINC000366752791 283318217 /nfs/dbraw/zinc/31/82/17/283318217.db2.gz PTPQRSXIIZRKSI-UHFFFAOYSA-N 2 1 256.394 -0.262 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449694597 283334135 /nfs/dbraw/zinc/33/41/35/283334135.db2.gz HESYVUWBMHMJAG-CHWSQXEVSA-N 2 1 268.405 -0.119 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125311608 283365010 /nfs/dbraw/zinc/36/50/10/283365010.db2.gz OAWKNFXXHJIQST-MMWGEVLESA-N 2 1 268.361 -0.110 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000341571782 216017647 /nfs/dbraw/zinc/01/76/47/216017647.db2.gz WMAMPAVJQZAKRR-CQSZACIVSA-N 2 1 295.431 -0.278 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000341571781 216017852 /nfs/dbraw/zinc/01/78/52/216017852.db2.gz WMAMPAVJQZAKRR-AWEZNQCLSA-N 2 1 295.431 -0.278 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000297404338 200178688 /nfs/dbraw/zinc/17/86/88/200178688.db2.gz PQJDQNIBSQPYND-UHFFFAOYSA-N 2 1 279.388 -0.103 20 0 CBADMP CNC(=O)C[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000341896508 216142294 /nfs/dbraw/zinc/14/22/94/216142294.db2.gz IJOWAWNPHFTZJO-NSHDSACASA-N 2 1 257.378 -0.053 20 0 CBADMP C[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000340184886 296014564 /nfs/dbraw/zinc/01/45/64/296014564.db2.gz KNASLZRKJKEMSK-NXEZZACHSA-N 2 1 256.350 -0.963 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000342092035 216215803 /nfs/dbraw/zinc/21/58/03/216215803.db2.gz VSNZSOFGDCVYMU-NSHDSACASA-N 2 1 284.404 -0.395 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C(=O)NCC(F)(F)C[NH3+] ZINC000418510725 283594732 /nfs/dbraw/zinc/59/47/32/283594732.db2.gz IKLYRSLWXMWHPN-MRVPVSSYSA-N 2 1 250.293 -0.026 20 0 CBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000342519969 216382261 /nfs/dbraw/zinc/38/22/61/216382261.db2.gz ZSIXJDVWWLSYEP-MJBXVCDLSA-N 2 1 282.432 -0.064 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCn1cccn1 ZINC000275343987 193006377 /nfs/dbraw/zinc/00/63/77/193006377.db2.gz YIRBUDAWCGZBLU-UHFFFAOYSA-N 2 1 279.388 -0.021 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCn1cccn1 ZINC000275343987 193006378 /nfs/dbraw/zinc/00/63/78/193006378.db2.gz YIRBUDAWCGZBLU-UHFFFAOYSA-N 2 1 279.388 -0.021 20 0 CBADMP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000330580681 202997449 /nfs/dbraw/zinc/99/74/49/202997449.db2.gz RIKHOVAIETYMRB-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP COCC[NH+]1CCC([NH2+]C[C@@]2(O)CCOC2)CC1 ZINC000330639937 203069537 /nfs/dbraw/zinc/06/95/37/203069537.db2.gz CIIOLEMPWSDISZ-ZDUSSCGKSA-N 2 1 258.362 -0.162 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC000330678270 203108971 /nfs/dbraw/zinc/10/89/71/203108971.db2.gz WMGSQEYPYUCLOQ-UHFFFAOYSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000330678270 203108973 /nfs/dbraw/zinc/10/89/73/203108973.db2.gz WMGSQEYPYUCLOQ-UHFFFAOYSA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@@H+](C[C@@H](O)CN[C@H]1CCC[NH+](CCCO)C1)C1CC1 ZINC000576583839 335222184 /nfs/dbraw/zinc/22/21/84/335222184.db2.gz FDSLCEYHOFJPKS-ZFWWWQNUSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@@H](O)CN[C@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000576583839 335222186 /nfs/dbraw/zinc/22/21/86/335222186.db2.gz FDSLCEYHOFJPKS-ZFWWWQNUSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@@H](O)CN[C@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000576583839 335222188 /nfs/dbraw/zinc/22/21/88/335222188.db2.gz FDSLCEYHOFJPKS-ZFWWWQNUSA-N 2 1 285.432 -0.122 20 0 CBADMP CC(C)C(=O)NCC[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000574324330 335010466 /nfs/dbraw/zinc/01/04/66/335010466.db2.gz GCYABXPRIGLRDJ-UHFFFAOYSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000574336224 335011629 /nfs/dbraw/zinc/01/16/29/335011629.db2.gz LOVHPYXBGVRDPB-KKUMJFAQSA-N 2 1 285.432 -0.049 20 0 CBADMP O=C([C@H]1C[NH2+]CCO1)N1CCC[N@H+](C2CC2)CC1 ZINC000178747828 296137465 /nfs/dbraw/zinc/13/74/65/296137465.db2.gz GAPCDJKEUMHOBI-GFCCVEGCSA-N 2 1 253.346 -0.329 20 0 CBADMP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000225525131 296147864 /nfs/dbraw/zinc/14/78/64/296147864.db2.gz FUUOQJCWWUHUNX-GRYCIOLGSA-N 2 1 253.346 -0.594 20 0 CBADMP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000225525131 296147867 /nfs/dbraw/zinc/14/78/67/296147867.db2.gz FUUOQJCWWUHUNX-GRYCIOLGSA-N 2 1 253.346 -0.594 20 0 CBADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CC(N)=O)CC1 ZINC000337336030 214014952 /nfs/dbraw/zinc/01/49/52/214014952.db2.gz MPZCJFKOPGRIPA-UHFFFAOYSA-N 2 1 256.394 -0.180 20 0 CBADMP COCCC[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CCO[C@H]1C ZINC000344436699 217191313 /nfs/dbraw/zinc/19/13/13/217191313.db2.gz HTHLDHUTYYWNJK-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CCO[C@H]1C ZINC000344436699 217191315 /nfs/dbraw/zinc/19/13/15/217191315.db2.gz HTHLDHUTYYWNJK-NWDGAFQWSA-N 2 1 273.377 -0.552 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125271684 372795868 /nfs/dbraw/zinc/79/58/68/372795868.db2.gz QDKZPOGPGPLFGO-AXFHLTTASA-N 2 1 268.361 -0.109 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000068807567 372766014 /nfs/dbraw/zinc/76/60/14/372766014.db2.gz OSDRIHLIJDDXQM-OCCSQVGLSA-N 2 1 268.405 -0.262 20 0 CBADMP CN1CC[N@H+](CCN2CC[NH2+]CC2)C(C)(C)C1=O ZINC000094865905 372776368 /nfs/dbraw/zinc/77/63/68/372776368.db2.gz BAYLBAVWAANOJR-UHFFFAOYSA-N 2 1 254.378 -0.556 20 0 CBADMP CN1CC[N@@H+](CCN2CC[NH2+]CC2)C(C)(C)C1=O ZINC000094865905 372776373 /nfs/dbraw/zinc/77/63/73/372776373.db2.gz BAYLBAVWAANOJR-UHFFFAOYSA-N 2 1 254.378 -0.556 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000353431915 220078761 /nfs/dbraw/zinc/07/87/61/220078761.db2.gz MPDRYNLZZVMBBN-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000353431915 220078764 /nfs/dbraw/zinc/07/87/64/220078764.db2.gz MPDRYNLZZVMBBN-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000353431915 220078765 /nfs/dbraw/zinc/07/87/65/220078765.db2.gz MPDRYNLZZVMBBN-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000353431915 220078768 /nfs/dbraw/zinc/07/87/68/220078768.db2.gz MPDRYNLZZVMBBN-STQMWFEESA-N 2 1 285.388 -0.456 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000163222312 372824460 /nfs/dbraw/zinc/82/44/60/372824460.db2.gz SIQMEFKBZGEPHS-VHSXEESVSA-N 2 1 268.361 -0.014 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000156977748 372808229 /nfs/dbraw/zinc/80/82/29/372808229.db2.gz CQXDTYHJPLNBMQ-NNYUYHANSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000157309244 372808974 /nfs/dbraw/zinc/80/89/74/372808974.db2.gz XLYYMNIGQORCQE-CHWSQXEVSA-N 2 1 268.405 -0.038 20 0 CBADMP COC(=O)CNC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158915686 372817937 /nfs/dbraw/zinc/81/79/37/372817937.db2.gz YYZGEVRDAJSXJD-NEPJUHHUSA-N 2 1 283.372 -0.308 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)C[NH+]1CCOCC1 ZINC000188142357 372848118 /nfs/dbraw/zinc/84/81/18/372848118.db2.gz GODJWZRXFJPBPH-NWDGAFQWSA-N 2 1 271.361 -0.941 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000219992643 372870739 /nfs/dbraw/zinc/87/07/39/372870739.db2.gz OMUNCHJUYCRJHR-WDEREUQCSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000353460136 220096772 /nfs/dbraw/zinc/09/67/72/220096772.db2.gz NWEJSSRXKUIKRF-UPJWGTAASA-N 2 1 268.405 -0.264 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000353470931 220102925 /nfs/dbraw/zinc/10/29/25/220102925.db2.gz LQORIOLMVOGSFF-CQSZACIVSA-N 2 1 297.447 -0.031 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252866190 372898249 /nfs/dbraw/zinc/89/82/49/372898249.db2.gz QDKZPOGPGPLFGO-GARJFASQSA-N 2 1 268.361 -0.109 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000262794907 372910598 /nfs/dbraw/zinc/91/05/98/372910598.db2.gz PCKNXAPQGJQGNR-NSHDSACASA-N 2 1 273.377 -0.423 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000262794907 372910610 /nfs/dbraw/zinc/91/06/10/372910610.db2.gz PCKNXAPQGJQGNR-NSHDSACASA-N 2 1 273.377 -0.423 20 0 CBADMP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353505751 220123551 /nfs/dbraw/zinc/12/35/51/220123551.db2.gz YPHRGEDQSOSUQI-VHSXEESVSA-N 2 1 256.350 -0.820 20 0 CBADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353505751 220123553 /nfs/dbraw/zinc/12/35/53/220123553.db2.gz YPHRGEDQSOSUQI-VHSXEESVSA-N 2 1 256.350 -0.820 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333370974 205263408 /nfs/dbraw/zinc/26/34/08/205263408.db2.gz MJWWUERTUUNDJR-ZMHPAJMFSA-N 2 1 264.373 -0.014 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)N[C@@H]1CC[NH2+]C1 ZINC000333355845 205247231 /nfs/dbraw/zinc/24/72/31/205247231.db2.gz KGTYDCFWTYIAGY-SNVBAGLBSA-N 2 1 258.391 -0.304 20 0 CBADMP CC[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000303998151 372966975 /nfs/dbraw/zinc/96/69/75/372966975.db2.gz QASADNPLXCOZAA-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP COCC[N@H+](C)CCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000339250801 373035249 /nfs/dbraw/zinc/03/52/49/373035249.db2.gz YQFDOPYQCKHJQO-ZDUSSCGKSA-N 2 1 286.420 -0.683 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000339250801 373035259 /nfs/dbraw/zinc/03/52/59/373035259.db2.gz YQFDOPYQCKHJQO-ZDUSSCGKSA-N 2 1 286.420 -0.683 20 0 CBADMP CN(C(=O)NC[C@H]1CCC[N@H+]1C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333947678 373014294 /nfs/dbraw/zinc/01/42/94/373014294.db2.gz VTBUKQHCOAKDML-VWYCJHECSA-N 2 1 256.350 -0.945 20 0 CBADMP COCC[N@H+](C)CCCNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C ZINC000344471080 373058059 /nfs/dbraw/zinc/05/80/59/373058059.db2.gz CPLPZMDUTPUEFY-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C ZINC000344471080 373058069 /nfs/dbraw/zinc/05/80/69/373058069.db2.gz CPLPZMDUTPUEFY-VXGBXAGGSA-N 2 1 273.377 -0.552 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000342374999 373045752 /nfs/dbraw/zinc/04/57/52/373045752.db2.gz OFICRJFOHLLHPJ-NWDGAFQWSA-N 2 1 257.378 -0.122 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000342374999 373045760 /nfs/dbraw/zinc/04/57/60/373045760.db2.gz OFICRJFOHLLHPJ-NWDGAFQWSA-N 2 1 257.378 -0.122 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000342374999 373045771 /nfs/dbraw/zinc/04/57/71/373045771.db2.gz OFICRJFOHLLHPJ-NWDGAFQWSA-N 2 1 257.378 -0.122 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000355296538 373122300 /nfs/dbraw/zinc/12/23/00/373122300.db2.gz HQLXETUQEXAQQH-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(=O)n(C)c1=O ZINC000353571135 220163906 /nfs/dbraw/zinc/16/39/06/220163906.db2.gz RBLYFPRIPXPNRI-NSHDSACASA-N 2 1 280.372 -0.533 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(=O)n(C)c1=O ZINC000353571135 220163910 /nfs/dbraw/zinc/16/39/10/220163910.db2.gz RBLYFPRIPXPNRI-NSHDSACASA-N 2 1 280.372 -0.533 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000353582656 220172886 /nfs/dbraw/zinc/17/28/86/220172886.db2.gz RUWGWXFYLUGVQH-GFCCVEGCSA-N 2 1 255.362 -0.177 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1COC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000361328320 373277430 /nfs/dbraw/zinc/27/74/30/373277430.db2.gz KGKZKXPJBWXRRD-KGLIPLIRSA-N 2 1 271.405 -0.296 20 0 CBADMP C[NH+](C)C1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000360895861 373244403 /nfs/dbraw/zinc/24/44/03/373244403.db2.gz BPPHJEZQYGCXPV-CQSZACIVSA-N 2 1 298.431 -0.541 20 0 CBADMP C[NH+](C)C1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000360895861 373244405 /nfs/dbraw/zinc/24/44/05/373244405.db2.gz BPPHJEZQYGCXPV-CQSZACIVSA-N 2 1 298.431 -0.541 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CSCN3)CC2)C1 ZINC000361709994 373328710 /nfs/dbraw/zinc/32/87/10/373328710.db2.gz BEERKTQOEIKBIH-OLZOCXBDSA-N 2 1 298.456 -0.113 20 0 CBADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)C1 ZINC000361709994 373328715 /nfs/dbraw/zinc/32/87/15/373328715.db2.gz BEERKTQOEIKBIH-OLZOCXBDSA-N 2 1 298.456 -0.113 20 0 CBADMP C[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCC1 ZINC000361717614 373330792 /nfs/dbraw/zinc/33/07/92/373330792.db2.gz GBJGJKXYVOIQQL-UHFFFAOYSA-N 2 1 255.362 -0.033 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000361554490 373306892 /nfs/dbraw/zinc/30/68/92/373306892.db2.gz TVIJKFNBDPJEOP-OAHLLOKOSA-N 2 1 296.415 -0.216 20 0 CBADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353600082 220183641 /nfs/dbraw/zinc/18/36/41/220183641.db2.gz VZZFCUPVYXHABX-NEPJUHHUSA-N 2 1 284.404 -0.040 20 0 CBADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353600082 220183642 /nfs/dbraw/zinc/18/36/42/220183642.db2.gz VZZFCUPVYXHABX-NEPJUHHUSA-N 2 1 284.404 -0.040 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000362498159 373419266 /nfs/dbraw/zinc/41/92/66/373419266.db2.gz KWVHNSRQILSNJS-STQMWFEESA-N 2 1 296.415 -0.584 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000362761784 373444641 /nfs/dbraw/zinc/44/46/41/373444641.db2.gz BUHIAAKXLAKHAG-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000362761784 373444652 /nfs/dbraw/zinc/44/46/52/373444652.db2.gz BUHIAAKXLAKHAG-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000362761784 373444668 /nfs/dbraw/zinc/44/46/68/373444668.db2.gz BUHIAAKXLAKHAG-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362650115 373433619 /nfs/dbraw/zinc/43/36/19/373433619.db2.gz SWFOMOZYHPBRRG-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000363738905 373506550 /nfs/dbraw/zinc/50/65/50/373506550.db2.gz IICOHXHVJMQKJX-DGCLKSJQSA-N 2 1 255.362 -0.320 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000399243967 373583606 /nfs/dbraw/zinc/58/36/06/373583606.db2.gz VJIJYCBAAPUVLT-CYBMUJFWSA-N 2 1 282.388 -0.560 20 0 CBADMP C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369274913 373547489 /nfs/dbraw/zinc/54/74/89/373547489.db2.gz TXHCZAFRRUSMHT-WDEREUQCSA-N 2 1 297.403 -0.672 20 0 CBADMP C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369274913 373547500 /nfs/dbraw/zinc/54/75/00/373547500.db2.gz TXHCZAFRRUSMHT-WDEREUQCSA-N 2 1 297.403 -0.672 20 0 CBADMP C[C@@H]1OCC[C@]12CN(CC(=O)N1CC[NH+](C)CC1)CCO2 ZINC000375926067 373569592 /nfs/dbraw/zinc/56/95/92/373569592.db2.gz CZCFEHDGJOXLON-ZFWWWQNUSA-N 2 1 297.399 -0.360 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)C1(N2CCOCC2)CCC1 ZINC000376879147 373573538 /nfs/dbraw/zinc/57/35/38/373573538.db2.gz BFACIRYIEVESCN-UHFFFAOYSA-N 2 1 299.415 -0.328 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)[C@@H](C)C[N@@H+]1CCO ZINC000416295677 373625081 /nfs/dbraw/zinc/62/50/81/373625081.db2.gz MVAILHIIZPGNCP-FRRDWIJNSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)[C@@H](C)C[N@H+]1CCO ZINC000416295677 373625087 /nfs/dbraw/zinc/62/50/87/373625087.db2.gz MVAILHIIZPGNCP-FRRDWIJNSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H](C)C[NH+]1CCO ZINC000416295677 373625095 /nfs/dbraw/zinc/62/50/95/373625095.db2.gz MVAILHIIZPGNCP-FRRDWIJNSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)[C@@H](C)C[NH+]1CCO ZINC000416295677 373625100 /nfs/dbraw/zinc/62/51/00/373625100.db2.gz MVAILHIIZPGNCP-FRRDWIJNSA-N 2 1 269.389 -0.006 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417436999 373628931 /nfs/dbraw/zinc/62/89/31/373628931.db2.gz GAUYMIZFVYIXDL-CHWSQXEVSA-N 2 1 284.404 -0.185 20 0 CBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418375722 373631447 /nfs/dbraw/zinc/63/14/47/373631447.db2.gz HXSQSXIBIYTZHY-VXGBXAGGSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)C[C@H](C)[N@@H+]1CCO ZINC000418378878 373632326 /nfs/dbraw/zinc/63/23/26/373632326.db2.gz JWBKSMLLUGJQPG-TUAOUCFPSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000418708946 373633638 /nfs/dbraw/zinc/63/36/38/373633638.db2.gz UOJLMFFCZNIFSH-KXNHARMFSA-N 2 1 272.393 -0.181 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000423390069 373657812 /nfs/dbraw/zinc/65/78/12/373657812.db2.gz VRAQYGLXVIDGGV-CHWSQXEVSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000423390069 373657815 /nfs/dbraw/zinc/65/78/15/373657815.db2.gz VRAQYGLXVIDGGV-CHWSQXEVSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419032395 373634955 /nfs/dbraw/zinc/63/49/55/373634955.db2.gz WMQLSZWONGXIHN-AGIUHOORSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419032400 373635114 /nfs/dbraw/zinc/63/51/14/373635114.db2.gz WMQLSZWONGXIHN-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419111645 373636010 /nfs/dbraw/zinc/63/60/10/373636010.db2.gz UGYDVRXLCSHCMT-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP 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 373638167 /nfs/dbraw/zinc/63/81/67/373638167.db2.gz ADZFHLSGZASMAZ-YVECIDJPSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419415535 373638736 /nfs/dbraw/zinc/63/87/36/373638736.db2.gz VDHCPDYSCYPKCP-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000419541786 373639183 /nfs/dbraw/zinc/63/91/83/373639183.db2.gz DTXRCNSIFVJZQA-TUAOUCFPSA-N 2 1 284.404 -0.315 20 0 CBADMP 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 373640145 /nfs/dbraw/zinc/64/01/45/373640145.db2.gz SDIJXRQLGMXKDI-FDYHWXHSSA-N 2 1 296.415 -0.206 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000419892756 373642777 /nfs/dbraw/zinc/64/27/77/373642777.db2.gz UUSFVFIWJOVGFQ-NWDGAFQWSA-N 2 1 282.388 -0.737 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000419892756 373642780 /nfs/dbraw/zinc/64/27/80/373642780.db2.gz UUSFVFIWJOVGFQ-NWDGAFQWSA-N 2 1 282.388 -0.737 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC[N@@H+]1C ZINC000420021769 373645578 /nfs/dbraw/zinc/64/55/78/373645578.db2.gz IJMVGIGVBWVGFK-QWRGUYRKSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC[N@H+]1C ZINC000420021769 373645589 /nfs/dbraw/zinc/64/55/89/373645589.db2.gz IJMVGIGVBWVGFK-QWRGUYRKSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000420006145 373645681 /nfs/dbraw/zinc/64/56/81/373645681.db2.gz QIISBIRBNNHBQY-GHMZBOCLSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000420006145 373645690 /nfs/dbraw/zinc/64/56/90/373645690.db2.gz QIISBIRBNNHBQY-GHMZBOCLSA-N 2 1 270.377 -0.752 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000420006605 373647226 /nfs/dbraw/zinc/64/72/26/373647226.db2.gz ZJEKVABRNHEQFU-OLZOCXBDSA-N 2 1 298.431 -0.116 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000420006605 373647228 /nfs/dbraw/zinc/64/72/28/373647228.db2.gz ZJEKVABRNHEQFU-OLZOCXBDSA-N 2 1 298.431 -0.116 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336592 373649217 /nfs/dbraw/zinc/64/92/17/373649217.db2.gz IXVYHFDFMLNHRN-GHMZBOCLSA-N 2 1 268.361 -0.237 20 0 CBADMP CNC(=O)NC(=O)CC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420358247 373649373 /nfs/dbraw/zinc/64/93/73/373649373.db2.gz FELHGNYCCBISDW-IQJOONFLSA-N 2 1 256.350 -0.192 20 0 CBADMP CCC[C@@]1(C)C(=O)NCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420353830 373650035 /nfs/dbraw/zinc/65/00/35/373650035.db2.gz CJEUPFWEEMMXHG-AWEZNQCLSA-N 2 1 268.405 -0.118 20 0 CBADMP CCC[C@@]1(C)C(=O)NCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000420353830 373650044 /nfs/dbraw/zinc/65/00/44/373650044.db2.gz CJEUPFWEEMMXHG-AWEZNQCLSA-N 2 1 268.405 -0.118 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C[C@H]1[NH3+] ZINC000423232995 373654924 /nfs/dbraw/zinc/65/49/24/373654924.db2.gz DAMBNIQKEFYXIQ-GRYCIOLGSA-N 2 1 282.388 -0.655 20 0 CBADMP COC[C@]1(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC[NH2+]C1 ZINC000423371088 373656003 /nfs/dbraw/zinc/65/60/03/373656003.db2.gz AHQMQKQUIIMRCB-NFAWXSAZSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@]1(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC[NH2+]C1 ZINC000423371088 373656009 /nfs/dbraw/zinc/65/60/09/373656009.db2.gz AHQMQKQUIIMRCB-NFAWXSAZSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423364355 373656731 /nfs/dbraw/zinc/65/67/31/373656731.db2.gz VPZKOGQHHDMEHX-CHWSQXEVSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423364355 373656738 /nfs/dbraw/zinc/65/67/38/373656738.db2.gz VPZKOGQHHDMEHX-CHWSQXEVSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[C@H](C(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1)[NH+](C)C ZINC000413911264 373621213 /nfs/dbraw/zinc/62/12/13/373621213.db2.gz YIWRQSYSTFZBDV-VXGBXAGGSA-N 2 1 285.388 -0.110 20 0 CBADMP CC[C@H](C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1)[NH+](C)C ZINC000413911264 373621222 /nfs/dbraw/zinc/62/12/22/373621222.db2.gz YIWRQSYSTFZBDV-VXGBXAGGSA-N 2 1 285.388 -0.110 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000423645662 373660534 /nfs/dbraw/zinc/66/05/34/373660534.db2.gz LALRPCJTYPAYBQ-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[N@H+]1C ZINC000423645662 373660542 /nfs/dbraw/zinc/66/05/42/373660542.db2.gz LALRPCJTYPAYBQ-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000427290685 373668517 /nfs/dbraw/zinc/66/85/17/373668517.db2.gz BUJZDQMLERCMNR-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC000436052199 373678441 /nfs/dbraw/zinc/67/84/41/373678441.db2.gz CFLHVXWZKMNYBX-LBPRGKRZSA-N 2 1 282.388 -0.416 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC000436052199 373678448 /nfs/dbraw/zinc/67/84/48/373678448.db2.gz CFLHVXWZKMNYBX-LBPRGKRZSA-N 2 1 282.388 -0.416 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000444168768 373683915 /nfs/dbraw/zinc/68/39/15/373683915.db2.gz JBIMCQATFQDNKX-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC(C)[C@H]1CN(C)CCN1C(=O)CN1CCNCC1=O ZINC000514604950 373758350 /nfs/dbraw/zinc/75/83/50/373758350.db2.gz KBYWQWPXONLEGG-GFCCVEGCSA-N 2 1 282.388 -0.783 20 0 CBADMP C[C@@H](NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C(=O)N(C)C ZINC000514727311 373763767 /nfs/dbraw/zinc/76/37/67/373763767.db2.gz SONHZIHYCUEVKT-UPJWGTAASA-N 2 1 296.415 -0.489 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000516580655 373815512 /nfs/dbraw/zinc/81/55/12/373815512.db2.gz NORIIKWOSIIBCQ-BFHYXJOUSA-N 2 1 271.405 -0.439 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000516580655 373815515 /nfs/dbraw/zinc/81/55/15/373815515.db2.gz NORIIKWOSIIBCQ-BFHYXJOUSA-N 2 1 271.405 -0.439 20 0 CBADMP COCC[NH+](C)C[C@@H](O)CN1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000516580655 373815517 /nfs/dbraw/zinc/81/55/17/373815517.db2.gz NORIIKWOSIIBCQ-BFHYXJOUSA-N 2 1 271.405 -0.439 20 0 CBADMP CC(C)[NH2+]CCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000520203982 373828189 /nfs/dbraw/zinc/82/81/89/373828189.db2.gz ZJJXFIJSFMIKAM-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H]1[NH3+] ZINC000515346292 373783652 /nfs/dbraw/zinc/78/36/52/373783652.db2.gz BDCGGWVTSXHPIP-DGCLKSJQSA-N 2 1 294.399 -0.654 20 0 CBADMP COC[C@@]1(CNC(=O)[C@H]2CSC[NH2+]2)CCC[NH2+]1 ZINC000515384479 373786818 /nfs/dbraw/zinc/78/68/18/373786818.db2.gz SJRFRVBYRSQYII-KOLCDFICSA-N 2 1 259.375 -0.466 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000515659028 373793321 /nfs/dbraw/zinc/79/33/21/373793321.db2.gz ANWUAZPBJGUNHI-YPMHNXCESA-N 2 1 257.378 -0.066 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC[NH+](C)C1CC1 ZINC000524299527 373882193 /nfs/dbraw/zinc/88/21/93/373882193.db2.gz UKGKRGLHIYMHBX-CYBMUJFWSA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCC[N@H+](C)C1CC1 ZINC000524299527 373882199 /nfs/dbraw/zinc/88/21/99/373882199.db2.gz UKGKRGLHIYMHBX-CYBMUJFWSA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000524299527 373882204 /nfs/dbraw/zinc/88/22/04/373882204.db2.gz UKGKRGLHIYMHBX-CYBMUJFWSA-N 2 1 283.420 -0.374 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000522138412 373860283 /nfs/dbraw/zinc/86/02/83/373860283.db2.gz FNCGCBVNXHTEDG-RYUDHWBXSA-N 2 1 254.378 -0.700 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000522138412 373860295 /nfs/dbraw/zinc/86/02/95/373860295.db2.gz FNCGCBVNXHTEDG-RYUDHWBXSA-N 2 1 254.378 -0.700 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000522138412 373860304 /nfs/dbraw/zinc/86/03/04/373860304.db2.gz FNCGCBVNXHTEDG-RYUDHWBXSA-N 2 1 254.378 -0.700 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000522144821 373860732 /nfs/dbraw/zinc/86/07/32/373860732.db2.gz OWMLDNUNRSBGJI-LBPRGKRZSA-N 2 1 254.378 -0.698 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000522102670 373862691 /nfs/dbraw/zinc/86/26/91/373862691.db2.gz RJPGIHHWAWBYHK-KGLIPLIRSA-N 2 1 297.447 -0.127 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000522102670 373862696 /nfs/dbraw/zinc/86/26/96/373862696.db2.gz RJPGIHHWAWBYHK-KGLIPLIRSA-N 2 1 297.447 -0.127 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000522102670 373862701 /nfs/dbraw/zinc/86/27/01/373862701.db2.gz RJPGIHHWAWBYHK-KGLIPLIRSA-N 2 1 297.447 -0.127 20 0 CBADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCO)O1 ZINC000527553263 373925640 /nfs/dbraw/zinc/92/56/40/373925640.db2.gz JTQBSZWFROETFJ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCO)O1 ZINC000527553263 373925654 /nfs/dbraw/zinc/92/56/54/373925654.db2.gz JTQBSZWFROETFJ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCO)O1 ZINC000527553263 373925659 /nfs/dbraw/zinc/92/56/59/373925659.db2.gz JTQBSZWFROETFJ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCO)O1 ZINC000527553263 373925677 /nfs/dbraw/zinc/92/56/77/373925677.db2.gz JTQBSZWFROETFJ-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@H]1COCC[NH2+]1 ZINC000529292772 373997752 /nfs/dbraw/zinc/99/77/52/373997752.db2.gz VKDWYXCQTXAPOM-RYUDHWBXSA-N 2 1 282.388 -0.242 20 0 CBADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000529297269 374000314 /nfs/dbraw/zinc/00/03/14/374000314.db2.gz HWNCBEVPGCCXQM-UPJWGTAASA-N 2 1 282.388 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529297380 374000354 /nfs/dbraw/zinc/00/03/54/374000354.db2.gz DPHAKALIWXRIJC-WDEREUQCSA-N 2 1 256.350 -0.632 20 0 CBADMP C[N@@H+]1CC=C(CNC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529376579 374017196 /nfs/dbraw/zinc/01/71/96/374017196.db2.gz NQRABLOFDQESOX-GFCCVEGCSA-N 2 1 268.361 -0.464 20 0 CBADMP CC[N@H+]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529376813 374017773 /nfs/dbraw/zinc/01/77/73/374017773.db2.gz OOBQUIJTEBZNFG-LBPRGKRZSA-N 2 1 270.377 -0.288 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)[C@@H]2C1 ZINC000529377970 374020123 /nfs/dbraw/zinc/02/01/23/374020123.db2.gz RXFGXUZLWJFNMN-JHJVBQTASA-N 2 1 282.388 -0.290 20 0 CBADMP O=C(NC[C@H]1COCC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000529380580 374021955 /nfs/dbraw/zinc/02/19/55/374021955.db2.gz OTDATKLKYCUXHV-NSHDSACASA-N 2 1 268.361 -0.536 20 0 CBADMP CC(C)[C@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000529381083 374022176 /nfs/dbraw/zinc/02/21/76/374022176.db2.gz XFNPHXOHOVKGIL-QWHCGFSZSA-N 2 1 284.404 -0.044 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000529381084 374022301 /nfs/dbraw/zinc/02/23/01/374022301.db2.gz XFNPHXOHOVKGIL-STQMWFEESA-N 2 1 284.404 -0.044 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000529036072 373993264 /nfs/dbraw/zinc/99/32/64/373993264.db2.gz NBRIEAZIBYFBRH-GFCCVEGCSA-N 2 1 252.318 -0.626 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000529036072 373993270 /nfs/dbraw/zinc/99/32/70/373993270.db2.gz NBRIEAZIBYFBRH-GFCCVEGCSA-N 2 1 252.318 -0.626 20 0 CBADMP CC(C)(O)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530221514 374066905 /nfs/dbraw/zinc/06/69/05/374066905.db2.gz FNZWZZDDRYTKCA-UHFFFAOYSA-N 2 1 270.377 -0.600 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](CO)C2CCOCC2)CC1 ZINC000548914238 374222617 /nfs/dbraw/zinc/22/26/17/374222617.db2.gz BXAMIOUZGOTYJC-CQSZACIVSA-N 2 1 299.415 -0.472 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000563718174 374324722 /nfs/dbraw/zinc/32/47/22/374324722.db2.gz RJPKWFSZFADECG-MNOVXSKESA-N 2 1 269.345 -0.428 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000563718174 374324727 /nfs/dbraw/zinc/32/47/27/374324727.db2.gz RJPKWFSZFADECG-MNOVXSKESA-N 2 1 269.345 -0.428 20 0 CBADMP CCOCC[NH+]1CCN(C[C@](C)(O)C[NH2+]C)CC1 ZINC000563726270 374325037 /nfs/dbraw/zinc/32/50/37/374325037.db2.gz ZHRWWDQQCMLUQE-CYBMUJFWSA-N 2 1 259.394 -0.389 20 0 CBADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)c1ccsc1 ZINC000583253643 374357966 /nfs/dbraw/zinc/35/79/66/374357966.db2.gz ICHPIXVOMDVVBQ-LLVKDONJSA-N 2 1 296.396 -0.445 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000583753370 374365829 /nfs/dbraw/zinc/36/58/29/374365829.db2.gz XMCIJFBIJVQGTN-SDDRHHMPSA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H](C(=O)N1CC[NH2+]C[C@H]1c1nccn1C)[C@H](C)[NH3+] ZINC000644129692 374490949 /nfs/dbraw/zinc/49/09/49/374490949.db2.gz HBTJDDRBDQVJJN-VWYCJHECSA-N 2 1 265.361 -0.124 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC[C@H](O)C[NH+](C)C2CC2)C1 ZINC000644554024 374592397 /nfs/dbraw/zinc/59/23/97/374592397.db2.gz FMYCYTITOFWGIG-OCCSQVGLSA-N 2 1 271.405 -0.248 20 0 CBADMP COCC[NH+]1CC[C@@H](NC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000644554024 374592403 /nfs/dbraw/zinc/59/24/03/374592403.db2.gz FMYCYTITOFWGIG-OCCSQVGLSA-N 2 1 271.405 -0.248 20 0 CBADMP COCC[NH+]1CC[C@@H](NC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644554024 374592409 /nfs/dbraw/zinc/59/24/09/374592409.db2.gz FMYCYTITOFWGIG-OCCSQVGLSA-N 2 1 271.405 -0.248 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000644543653 374592684 /nfs/dbraw/zinc/59/26/84/374592684.db2.gz GYHQDYDJHUUCTB-KXNHARMFSA-N 2 1 253.346 -0.426 20 0 CBADMP C[C@@H]([NH2+]C[C@H](O)CN1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000644562917 374595385 /nfs/dbraw/zinc/59/53/85/374595385.db2.gz IHFGZMRMKNRBKF-ZBFHGGJFSA-N 2 1 298.475 -0.085 20 0 CBADMP OC1(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CCC1 ZINC000644569806 374596357 /nfs/dbraw/zinc/59/63/57/374596357.db2.gz ZPKVUBHZSXEKLK-CQSZACIVSA-N 2 1 283.416 -0.103 20 0 CBADMP CC1(C)C[NH2+][C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000645186404 374648308 /nfs/dbraw/zinc/64/83/08/374648308.db2.gz DJATXTBXQFRPLT-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000645685023 374692153 /nfs/dbraw/zinc/69/21/53/374692153.db2.gz QZDWNIXBFGVCPR-NSHDSACASA-N 2 1 280.376 -0.159 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645684677 374692210 /nfs/dbraw/zinc/69/22/10/374692210.db2.gz DGWFTLKNJORMQV-WDEREUQCSA-N 2 1 268.361 -0.935 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000645685113 374692557 /nfs/dbraw/zinc/69/25/57/374692557.db2.gz VKPWEEUGIWVFRY-NEPJUHHUSA-N 2 1 292.387 -0.146 20 0 CBADMP CC1(C)C[NH2+][C@@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000645869899 374710270 /nfs/dbraw/zinc/71/02/70/374710270.db2.gz ZJWTUMCLLRCANC-NWDGAFQWSA-N 2 1 296.415 -0.312 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953291 374716697 /nfs/dbraw/zinc/71/66/97/374716697.db2.gz OAXXBVMMDODZJA-RYUDHWBXSA-N 2 1 255.362 -0.049 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953367 374716978 /nfs/dbraw/zinc/71/69/78/374716978.db2.gz RCXNFJCNHDCNME-OLZOCXBDSA-N 2 1 267.373 -0.035 20 0 CBADMP [NH3+]CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)nn1 ZINC000645953449 374717014 /nfs/dbraw/zinc/71/70/14/374717014.db2.gz UNLSQHXJVCWSOC-LBPRGKRZSA-N 2 1 292.387 -0.159 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645966029 374720370 /nfs/dbraw/zinc/72/03/70/374720370.db2.gz PSYGAWUUCHFSJR-SOUVJXGZSA-N 2 1 294.443 -0.016 20 0 CBADMP C[NH2+]CCC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000645977494 374720771 /nfs/dbraw/zinc/72/07/71/374720771.db2.gz CYUQIMADFFRENG-GFCCVEGCSA-N 2 1 268.405 -0.119 20 0 CBADMP C[NH2+]CCC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645977494 374720775 /nfs/dbraw/zinc/72/07/75/374720775.db2.gz CYUQIMADFFRENG-GFCCVEGCSA-N 2 1 268.405 -0.119 20 0 CBADMP COC[C@]1(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[NH2+]C1 ZINC000645983963 374722567 /nfs/dbraw/zinc/72/25/67/374722567.db2.gz UQYIVQNTZVBVNH-AWEZNQCLSA-N 2 1 295.387 -0.272 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009546 374726517 /nfs/dbraw/zinc/72/65/17/374726517.db2.gz QQHFCXXCKJCPEO-ZIAGYGMSSA-N 2 1 298.431 -0.508 20 0 CBADMP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009337 374726909 /nfs/dbraw/zinc/72/69/09/374726909.db2.gz BEHRCSSFBXSJAD-CYBMUJFWSA-N 2 1 298.431 -0.506 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009371 374727078 /nfs/dbraw/zinc/72/70/78/374727078.db2.gz FSHFTHSETODBAM-KBPBESRZSA-N 2 1 298.431 -0.635 20 0 CBADMP CC(=O)NCC[NH+](C)C/C=C\C[N@@H+](C)CCNC(C)=O ZINC000646047161 374735000 /nfs/dbraw/zinc/73/50/00/374735000.db2.gz IBKJXJGXCRYERS-WAYWQWQTSA-N 2 1 284.404 -0.322 20 0 CBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)COCC[NH3+])C[C@H](C)O1 ZINC000646457244 374780814 /nfs/dbraw/zinc/78/08/14/374780814.db2.gz PQBIKXCZJHRFDM-TXEJJXNPSA-N 2 1 273.377 -0.471 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)COCC[NH3+])C[C@H](C)O1 ZINC000646457244 374780817 /nfs/dbraw/zinc/78/08/17/374780817.db2.gz PQBIKXCZJHRFDM-TXEJJXNPSA-N 2 1 273.377 -0.471 20 0 CBADMP CC1(C)C[NH2+][C@@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000646503739 374782960 /nfs/dbraw/zinc/78/29/60/374782960.db2.gz PGGDDOGAWCWSIO-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP CC1(C)C[NH2+][C@@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000646503739 374782965 /nfs/dbraw/zinc/78/29/65/374782965.db2.gz PGGDDOGAWCWSIO-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP [NH3+]CCOCC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000647028408 374864246 /nfs/dbraw/zinc/86/42/46/374864246.db2.gz JVWQZNPTIYSCSZ-GFCCVEGCSA-N 2 1 264.329 -0.470 20 0 CBADMP [NH3+]CCOCC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000647028409 374864997 /nfs/dbraw/zinc/86/49/97/374864997.db2.gz JVWQZNPTIYSCSZ-LBPRGKRZSA-N 2 1 264.329 -0.470 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000647086621 374884225 /nfs/dbraw/zinc/88/42/25/374884225.db2.gz MUCKEFBJZJIYDN-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](C)C[C@@H]32)C1 ZINC000646913365 374840046 /nfs/dbraw/zinc/84/00/46/374840046.db2.gz DQSHKZZEZWVFGF-AVGNSLFASA-N 2 1 267.373 -0.130 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](C)C[C@@H]32)C1 ZINC000646913365 374840048 /nfs/dbraw/zinc/84/00/48/374840048.db2.gz DQSHKZZEZWVFGF-AVGNSLFASA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)C1 ZINC000646913365 374840050 /nfs/dbraw/zinc/84/00/50/374840050.db2.gz DQSHKZZEZWVFGF-AVGNSLFASA-N 2 1 267.373 -0.130 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC000646913365 374840054 /nfs/dbraw/zinc/84/00/54/374840054.db2.gz DQSHKZZEZWVFGF-AVGNSLFASA-N 2 1 267.373 -0.130 20 0 CBADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000646918528 374841584 /nfs/dbraw/zinc/84/15/84/374841584.db2.gz YIOFQLCOINWEDO-MELADBBJSA-N 2 1 278.400 -0.461 20 0 CBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000646918528 374841589 /nfs/dbraw/zinc/84/15/89/374841589.db2.gz YIOFQLCOINWEDO-MELADBBJSA-N 2 1 278.400 -0.461 20 0 CBADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000646918528 374841593 /nfs/dbraw/zinc/84/15/93/374841593.db2.gz YIOFQLCOINWEDO-MELADBBJSA-N 2 1 278.400 -0.461 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)N1CC[NH+](C)CC1 ZINC000646936989 374843846 /nfs/dbraw/zinc/84/38/46/374843846.db2.gz CMSXDFGUGDITKL-RDBSUJKOSA-N 2 1 280.416 -0.215 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)N1CC[NH+](C)CC1 ZINC000646936989 374843850 /nfs/dbraw/zinc/84/38/50/374843850.db2.gz CMSXDFGUGDITKL-RDBSUJKOSA-N 2 1 280.416 -0.215 20 0 CBADMP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000646975048 374854066 /nfs/dbraw/zinc/85/40/66/374854066.db2.gz WLXASAOCMONBNH-AAEUAGOBSA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000574569735 335030305 /nfs/dbraw/zinc/03/03/05/335030305.db2.gz ZVNIFKQMBDFPKH-HOSYDEDBSA-N 2 1 258.366 -0.522 20 0 CBADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252700053 189982590 /nfs/dbraw/zinc/98/25/90/189982590.db2.gz XSPOSFUYJFJYFN-ZJUUUORDSA-N 2 1 256.350 -0.109 20 0 CBADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252700053 189982591 /nfs/dbraw/zinc/98/25/91/189982591.db2.gz XSPOSFUYJFJYFN-ZJUUUORDSA-N 2 1 256.350 -0.109 20 0 CBADMP CC[N@H+](C)CCNC(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC000262359127 190053489 /nfs/dbraw/zinc/05/34/89/190053489.db2.gz KDSBJODTZFEUGR-NSHDSACASA-N 2 1 253.350 -0.252 20 0 CBADMP CC[N@@H+](C)CCNC(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC000262359127 190053490 /nfs/dbraw/zinc/05/34/90/190053490.db2.gz KDSBJODTZFEUGR-NSHDSACASA-N 2 1 253.350 -0.252 20 0 CBADMP CN[C@H](C(=O)NCC[N@@H+](C)CCOC)c1cnn(C)c1 ZINC000262466456 190055380 /nfs/dbraw/zinc/05/53/80/190055380.db2.gz XWYGWYSTEIBLHV-LBPRGKRZSA-N 2 1 283.376 -0.625 20 0 CBADMP C[NH2+][C@H](C(=O)NCC[N@H+](C)CCOC)c1cnn(C)c1 ZINC000262466456 190055381 /nfs/dbraw/zinc/05/53/81/190055381.db2.gz XWYGWYSTEIBLHV-LBPRGKRZSA-N 2 1 283.376 -0.625 20 0 CBADMP O=C([C@H]1COCC[NH2+]1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371226876 284576766 /nfs/dbraw/zinc/57/67/66/284576766.db2.gz CVXWSILFMOREEI-CHWSQXEVSA-N 2 1 267.373 -0.035 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000353580416 295056263 /nfs/dbraw/zinc/05/62/63/295056263.db2.gz TYKHNPRCSQZYAV-ONGXEEELSA-N 2 1 268.361 -0.678 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(C[C@@H](C)O)CC2)C1 ZINC000356469359 248253619 /nfs/dbraw/zinc/25/36/19/248253619.db2.gz XZLAAXZCTDLPJA-ZIAGYGMSSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(C[C@@H](C)O)CC2)C1 ZINC000356469359 248253626 /nfs/dbraw/zinc/25/36/26/248253626.db2.gz XZLAAXZCTDLPJA-ZIAGYGMSSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1C ZINC000356873176 248297202 /nfs/dbraw/zinc/29/72/02/248297202.db2.gz GHTXGUMVGPGQHQ-HZSPNIEDSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1C ZINC000356873176 248297207 /nfs/dbraw/zinc/29/72/07/248297207.db2.gz GHTXGUMVGPGQHQ-HZSPNIEDSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC[NH+]1C ZINC000356873176 248297213 /nfs/dbraw/zinc/29/72/13/248297213.db2.gz GHTXGUMVGPGQHQ-HZSPNIEDSA-N 2 1 280.416 -0.073 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000357025514 248309499 /nfs/dbraw/zinc/30/94/99/248309499.db2.gz HKINLGVLGLYAQS-ZDUSSCGKSA-N 2 1 285.388 -0.468 20 0 CBADMP [NH3+]CCOCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000357083881 248320115 /nfs/dbraw/zinc/32/01/15/248320115.db2.gz IVVMUYRQFDDQSR-GFCCVEGCSA-N 2 1 254.334 -0.441 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000357083881 248320119 /nfs/dbraw/zinc/32/01/19/248320119.db2.gz IVVMUYRQFDDQSR-GFCCVEGCSA-N 2 1 254.334 -0.441 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)C[C@@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000357171355 248329847 /nfs/dbraw/zinc/32/98/47/248329847.db2.gz FOEQZWDXNRQKSC-HZSPNIEDSA-N 2 1 299.415 -0.020 20 0 CBADMP Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nn1 ZINC000347033877 218099253 /nfs/dbraw/zinc/09/92/53/218099253.db2.gz BGHDMDZVXBIADY-GFCCVEGCSA-N 2 1 292.387 -0.541 20 0 CBADMP Cn1cc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nn1 ZINC000347033877 218099255 /nfs/dbraw/zinc/09/92/55/218099255.db2.gz BGHDMDZVXBIADY-GFCCVEGCSA-N 2 1 292.387 -0.541 20 0 CBADMP C[C@H](CO)[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000347242406 218165225 /nfs/dbraw/zinc/16/52/25/218165225.db2.gz UHEBZEZFTMSQRB-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](CO)[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000347242406 218165227 /nfs/dbraw/zinc/16/52/27/218165227.db2.gz UHEBZEZFTMSQRB-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](CO)[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000347242406 218165228 /nfs/dbraw/zinc/16/52/28/218165228.db2.gz UHEBZEZFTMSQRB-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000347376686 218212421 /nfs/dbraw/zinc/21/24/21/218212421.db2.gz URASQTQWCVQHQR-GFCCVEGCSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347376686 218212424 /nfs/dbraw/zinc/21/24/24/218212424.db2.gz URASQTQWCVQHQR-GFCCVEGCSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347376686 218212426 /nfs/dbraw/zinc/21/24/26/218212426.db2.gz URASQTQWCVQHQR-GFCCVEGCSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H]1CC2(C[N@H+]1CCNS(C)(=O)=O)CC[NH2+]CC2 ZINC000331698113 296294431 /nfs/dbraw/zinc/29/44/31/296294431.db2.gz VEZMZOHHEDBWAG-LLVKDONJSA-N 2 1 275.418 0.000 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)C[NH3+])CC1=O ZINC000347659305 218309451 /nfs/dbraw/zinc/30/94/51/218309451.db2.gz UVXSUNUSQHYTGD-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000347668634 218312549 /nfs/dbraw/zinc/31/25/49/218312549.db2.gz DRNCOTUCQPQDAA-ZDUSSCGKSA-N 2 1 287.404 -0.351 20 0 CBADMP C[C@@H]1C[C@H]([N@H+](C)CCN2C(=O)CNC2=O)CCN1C ZINC000123784508 207369266 /nfs/dbraw/zinc/36/92/66/207369266.db2.gz AQGPMFFEXXTUIA-GHMZBOCLSA-N 2 1 268.361 -0.047 20 0 CBADMP C[C@@H]1C[C@H]([N@@H+](C)CCN2C(=O)CNC2=O)CCN1C ZINC000123784508 207369272 /nfs/dbraw/zinc/36/92/72/207369272.db2.gz AQGPMFFEXXTUIA-GHMZBOCLSA-N 2 1 268.361 -0.047 20 0 CBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)C[NH3+])C[C@H]1C ZINC000167983733 207397594 /nfs/dbraw/zinc/39/75/94/207397594.db2.gz AGBBOEAVOGSUEY-GHMZBOCLSA-N 2 1 257.378 -0.115 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(C)(C)C[NH3+])C[C@H]1C ZINC000167983733 207397600 /nfs/dbraw/zinc/39/76/00/207397600.db2.gz AGBBOEAVOGSUEY-GHMZBOCLSA-N 2 1 257.378 -0.115 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2CSCN2)C[C@H]1C ZINC000167981594 207398289 /nfs/dbraw/zinc/39/82/89/207398289.db2.gz PWHCTPYAFKEBOY-GMTAPVOTSA-N 2 1 273.402 -0.438 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[NH2+]CCO2)CCC[N@H+]1C ZINC000417993250 207567797 /nfs/dbraw/zinc/56/77/97/207567797.db2.gz AFOBPBGXJCBEKI-UTUOFQBUSA-N 2 1 270.377 -0.243 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000376720978 532977988 /nfs/dbraw/zinc/97/79/88/532977988.db2.gz OUQCVPNLKLMDNT-ZYHUDNBSSA-N 2 1 259.325 -0.475 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@]2(CCOC)CC[NH2+]C2)C1 ZINC000376720042 532983752 /nfs/dbraw/zinc/98/37/52/532983752.db2.gz KEQKDVLOSLPJNM-DZGCQCFKSA-N 2 1 299.415 -0.161 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000419561053 207708181 /nfs/dbraw/zinc/70/81/81/207708181.db2.gz RWHXITCQIKSEQM-QJPTWQEYSA-N 2 1 282.388 -0.594 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000419690131 207721621 /nfs/dbraw/zinc/72/16/21/207721621.db2.gz BLTDGJBFEAFCLM-LLVKDONJSA-N 2 1 282.388 -0.545 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000427333292 208059295 /nfs/dbraw/zinc/05/92/95/208059295.db2.gz YAHPACUBHJSSBS-GFCCVEGCSA-N 2 1 282.388 -0.734 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000427333293 208060323 /nfs/dbraw/zinc/06/03/23/208060323.db2.gz YAHPACUBHJSSBS-LBPRGKRZSA-N 2 1 282.388 -0.734 20 0 CBADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCOCC1 ZINC000428038835 208077458 /nfs/dbraw/zinc/07/74/58/208077458.db2.gz ZNOLXHVXYDJCDC-CHWSQXEVSA-N 2 1 267.373 -0.081 20 0 CBADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCOCC1 ZINC000428038835 208077465 /nfs/dbraw/zinc/07/74/65/208077465.db2.gz ZNOLXHVXYDJCDC-CHWSQXEVSA-N 2 1 267.373 -0.081 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000428367382 208086162 /nfs/dbraw/zinc/08/61/62/208086162.db2.gz QPORLDSWOHVMDB-GFCCVEGCSA-N 2 1 254.378 -0.426 20 0 CBADMP C[C@H]1C[C@@H](O)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429167128 208111893 /nfs/dbraw/zinc/11/18/93/208111893.db2.gz WYOJYLWPBGSHPR-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1C[C@@H](O)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429167128 208111898 /nfs/dbraw/zinc/11/18/98/208111898.db2.gz WYOJYLWPBGSHPR-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000430725527 208176854 /nfs/dbraw/zinc/17/68/54/208176854.db2.gz XNFDOCXUCUTDJC-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000430725527 208176861 /nfs/dbraw/zinc/17/68/61/208176861.db2.gz XNFDOCXUCUTDJC-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430576399 208164197 /nfs/dbraw/zinc/16/41/97/208164197.db2.gz XFEPQDSMZJFYHY-MNOVXSKESA-N 2 1 263.407 -0.015 20 0 CBADMP CN(CC1CC1)C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633982 208168124 /nfs/dbraw/zinc/16/81/24/208168124.db2.gz AUBZADRWOVPXBO-CYBMUJFWSA-N 2 1 296.415 -0.358 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000430621058 208168437 /nfs/dbraw/zinc/16/84/37/208168437.db2.gz CSYUTIZXFNBNPW-GFCCVEGCSA-N 2 1 282.388 -0.604 20 0 CBADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC1CC1 ZINC000430629900 208169132 /nfs/dbraw/zinc/16/91/32/208169132.db2.gz QWEARYKIGQRJJA-GFCCVEGCSA-N 2 1 294.399 -0.591 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430638161 208170328 /nfs/dbraw/zinc/17/03/28/208170328.db2.gz MTPCJNPXICVCFZ-NSHDSACASA-N 2 1 263.407 -0.061 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)COC1C[NH2+]C1 ZINC000430698098 208173186 /nfs/dbraw/zinc/17/31/86/208173186.db2.gz FNOFKIRRIXSJGI-UHFFFAOYSA-N 2 1 259.350 -0.941 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000430711408 208174214 /nfs/dbraw/zinc/17/42/14/208174214.db2.gz FHKJAJJXPPNPBL-WCQYABFASA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[NH2+]CC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132908357 285076022 /nfs/dbraw/zinc/07/60/22/285076022.db2.gz VBKNHXZWDMCLJG-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP CCOCC[N@@H+]1CCN(C(=O)COC2C[NH2+]C2)C[C@H]1CC ZINC000430717827 208176562 /nfs/dbraw/zinc/17/65/62/208176562.db2.gz BITRIGRWWRNIQW-CYBMUJFWSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)COC2C[NH2+]C2)C[C@H]1CC ZINC000430717827 208176570 /nfs/dbraw/zinc/17/65/70/208176570.db2.gz BITRIGRWWRNIQW-CYBMUJFWSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(C)(C)C[NH3+])CC1 ZINC000430762280 208177856 /nfs/dbraw/zinc/17/78/56/208177856.db2.gz LUMDDHOYCZVJRW-UHFFFAOYSA-N 2 1 270.377 -0.748 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000430737736 208179580 /nfs/dbraw/zinc/17/95/80/208179580.db2.gz CAWYFBPAMJKUGU-GFCCVEGCSA-N 2 1 271.361 -0.845 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000430892063 208185958 /nfs/dbraw/zinc/18/59/58/208185958.db2.gz ZSWYHRZRMGJPMD-SRVKXCTJSA-N 2 1 282.388 -0.430 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000430893104 208187042 /nfs/dbraw/zinc/18/70/42/208187042.db2.gz CXMOHUMMEMOARV-OLZOCXBDSA-N 2 1 296.415 -0.168 20 0 CBADMP CC(C)(C[NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000430889621 208187268 /nfs/dbraw/zinc/18/72/68/208187268.db2.gz LUSIANJUHHEPPY-SNVBAGLBSA-N 2 1 270.377 -0.573 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)COC1C[NH2+]C1 ZINC000430896917 208191048 /nfs/dbraw/zinc/19/10/48/208191048.db2.gz JKMOSMFYPWGYKV-LLVKDONJSA-N 2 1 271.361 -0.798 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430928526 208191946 /nfs/dbraw/zinc/19/19/46/208191946.db2.gz LRUZKLFJAOLRHO-SGMGOOAPSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430928526 208191951 /nfs/dbraw/zinc/19/19/51/208191951.db2.gz LRUZKLFJAOLRHO-SGMGOOAPSA-N 2 1 296.415 -0.265 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000431005699 208197131 /nfs/dbraw/zinc/19/71/31/208197131.db2.gz NRKRMXKLUYABJD-CQSZACIVSA-N 2 1 298.431 -0.491 20 0 CBADMP C[NH2+]CCCC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000431016946 208199606 /nfs/dbraw/zinc/19/96/06/208199606.db2.gz LWXLEGDHASDDAU-CYBMUJFWSA-N 2 1 270.421 -0.014 20 0 CBADMP COCC[NH+]1CCC(NC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000431049220 208201494 /nfs/dbraw/zinc/20/14/94/208201494.db2.gz NMXZOLVKAFZHOR-LBPRGKRZSA-N 2 1 271.361 -0.798 20 0 CBADMP O=C(COC1C[NH2+]C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000431053523 208203101 /nfs/dbraw/zinc/20/31/01/208203101.db2.gz OGDCBAOHIICECE-NSHDSACASA-N 2 1 253.346 -0.329 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000434455442 208259375 /nfs/dbraw/zinc/25/93/75/208259375.db2.gz ZHVYYBAJJIKPBO-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000434455442 208259384 /nfs/dbraw/zinc/25/93/84/208259384.db2.gz ZHVYYBAJJIKPBO-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@H]([NH3+])CCC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000434679779 208265847 /nfs/dbraw/zinc/26/58/47/208265847.db2.gz FSRPBIHDVVWJLK-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)N1CCOCC1 ZINC000442765393 208364637 /nfs/dbraw/zinc/36/46/37/208364637.db2.gz JLPXHNKAQGRYDQ-NEPJUHHUSA-N 2 1 255.362 -0.096 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCS(=O)(=O)N(C)C ZINC000442789656 208367825 /nfs/dbraw/zinc/36/78/25/208367825.db2.gz KAGYHFWESJNGTD-WDEREUQCSA-N 2 1 263.407 -0.063 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443059543 208377551 /nfs/dbraw/zinc/37/75/51/208377551.db2.gz MWUBLURVQAIMNE-NSHDSACASA-N 2 1 263.407 -0.014 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443059542 208378211 /nfs/dbraw/zinc/37/82/11/208378211.db2.gz MWUBLURVQAIMNE-LLVKDONJSA-N 2 1 263.407 -0.014 20 0 CBADMP COCC[C@]1(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC[NH2+]C1 ZINC000431004186 285183636 /nfs/dbraw/zinc/18/36/36/285183636.db2.gz IQJMDNRISQMSRP-DZGCQCFKSA-N 2 1 298.431 -0.635 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000420343221 220561157 /nfs/dbraw/zinc/56/11/57/220561157.db2.gz YSIJQKZDQRTSGE-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354702463 285256818 /nfs/dbraw/zinc/25/68/18/285256818.db2.gz YHDPSKXKILSDFQ-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000361814165 285342298 /nfs/dbraw/zinc/34/22/98/285342298.db2.gz NAYOPHSKVSKEQY-QJPTWQEYSA-N 2 1 270.377 -0.002 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC000365931550 285355934 /nfs/dbraw/zinc/35/59/34/285355934.db2.gz YJMCIGNXOLCJAG-FRRDWIJNSA-N 2 1 267.373 -0.273 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC000365931550 285355935 /nfs/dbraw/zinc/35/59/35/285355935.db2.gz YJMCIGNXOLCJAG-FRRDWIJNSA-N 2 1 267.373 -0.273 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC000365931550 285355937 /nfs/dbraw/zinc/35/59/37/285355937.db2.gz YJMCIGNXOLCJAG-FRRDWIJNSA-N 2 1 267.373 -0.273 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C1 ZINC000365931550 285355938 /nfs/dbraw/zinc/35/59/38/285355938.db2.gz YJMCIGNXOLCJAG-FRRDWIJNSA-N 2 1 267.373 -0.273 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000575124108 335069535 /nfs/dbraw/zinc/06/95/35/335069535.db2.gz OJGUWJTXPGMNHZ-QWRGUYRKSA-N 2 1 268.361 -0.107 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000575123641 335069543 /nfs/dbraw/zinc/06/95/43/335069543.db2.gz RGAXINXZUKJVLT-KBPBESRZSA-N 2 1 296.367 -0.201 20 0 CBADMP COC1(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000166599107 292093755 /nfs/dbraw/zinc/09/37/55/292093755.db2.gz LIXZEVVHEMLFQE-CYBMUJFWSA-N 2 1 299.415 -0.161 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000575125052 335069693 /nfs/dbraw/zinc/06/96/93/335069693.db2.gz UHRCSRLPFONVQI-HZSPNIEDSA-N 2 1 280.416 -0.310 20 0 CBADMP CO[C@H](C[NH3+])C(=O)NCCNc1cccc(C)[nH+]1 ZINC000353458515 285994114 /nfs/dbraw/zinc/99/41/14/285994114.db2.gz JVUWJDUOKZJJHD-SNVBAGLBSA-N 2 1 252.318 -0.108 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351472529 289238662 /nfs/dbraw/zinc/23/86/62/289238662.db2.gz AZYYYOCPVWFPGH-QJPTWQEYSA-N 2 1 275.418 -0.063 20 0 CBADMP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351860637 292373656 /nfs/dbraw/zinc/37/36/56/292373656.db2.gz GZMUAJBOJZPJMV-NEPJUHHUSA-N 2 1 293.433 -0.389 20 0 CBADMP COCCCS(=O)(=O)NCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351860637 292373659 /nfs/dbraw/zinc/37/36/59/292373659.db2.gz GZMUAJBOJZPJMV-NEPJUHHUSA-N 2 1 293.433 -0.389 20 0 CBADMP [NH3+]CCCN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000037038110 411625357 /nfs/dbraw/zinc/62/53/57/411625357.db2.gz PCSXUDQUHYFDLP-UHFFFAOYSA-N 2 1 268.405 -0.035 20 0 CBADMP [NH3+]CCC[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000037038110 411625363 /nfs/dbraw/zinc/62/53/63/411625363.db2.gz PCSXUDQUHYFDLP-UHFFFAOYSA-N 2 1 268.405 -0.035 20 0 CBADMP [NH3+]CCC[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000037038110 411625368 /nfs/dbraw/zinc/62/53/68/411625368.db2.gz PCSXUDQUHYFDLP-UHFFFAOYSA-N 2 1 268.405 -0.035 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2)CC1 ZINC000020269918 171125716 /nfs/dbraw/zinc/12/57/16/171125716.db2.gz GUWAKMWPTQGHPK-LBPRGKRZSA-N 2 1 254.378 -0.556 20 0 CBADMP [NH3+][C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC[C@H]1F ZINC000662748261 413992223 /nfs/dbraw/zinc/99/22/23/413992223.db2.gz NUPLWUXMCUQABG-IVZWLZJFSA-N 2 1 281.335 -0.002 20 0 CBADMP C[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901186 414058917 /nfs/dbraw/zinc/05/89/17/414058917.db2.gz UFPVPGLRDNWJEG-ZDUSSCGKSA-N 2 1 268.405 -0.167 20 0 CBADMP C[NH2+]CC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901186 414058921 /nfs/dbraw/zinc/05/89/21/414058921.db2.gz UFPVPGLRDNWJEG-ZDUSSCGKSA-N 2 1 268.405 -0.167 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040600324 174351202 /nfs/dbraw/zinc/35/12/02/174351202.db2.gz IKUHAFKXXDBPQU-JTQLQIEISA-N 2 1 256.350 -0.237 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000071146584 176042949 /nfs/dbraw/zinc/04/29/49/176042949.db2.gz XNGWDPOYHUOKMK-JTQLQIEISA-N 2 1 268.361 -0.142 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000071146584 176042951 /nfs/dbraw/zinc/04/29/51/176042951.db2.gz XNGWDPOYHUOKMK-JTQLQIEISA-N 2 1 268.361 -0.142 20 0 CBADMP CCCNC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150744 176045016 /nfs/dbraw/zinc/04/50/16/176045016.db2.gz HGBXTRSNHOWNOU-GFCCVEGCSA-N 2 1 256.394 -0.262 20 0 CBADMP CCCNC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150744 176045018 /nfs/dbraw/zinc/04/50/18/176045018.db2.gz HGBXTRSNHOWNOU-GFCCVEGCSA-N 2 1 256.394 -0.262 20 0 CBADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000088372424 544435214 /nfs/dbraw/zinc/43/52/14/544435214.db2.gz HOFRQXPVUPGDIN-LBPRGKRZSA-N 2 1 255.362 -0.225 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000089698744 544436426 /nfs/dbraw/zinc/43/64/26/544436426.db2.gz ZJHCWLBWRGYBJF-UHFFFAOYSA-N 2 1 266.349 -0.597 20 0 CBADMP CC1(OCC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[NH2+]C1 ZINC000098061559 544446976 /nfs/dbraw/zinc/44/69/76/544446976.db2.gz UUXJDUKMYWLGCI-CYBMUJFWSA-N 2 1 297.399 -0.312 20 0 CBADMP CC1(OCC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[NH2+]C1 ZINC000098061664 544447081 /nfs/dbraw/zinc/44/70/81/544447081.db2.gz CZFFAIIPLVWYIX-NSHDSACASA-N 2 1 267.373 -0.035 20 0 CBADMP CC(C)NC(=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000228361351 544496789 /nfs/dbraw/zinc/49/67/89/544496789.db2.gz IZGDUIIDWTVREI-GFCCVEGCSA-N 2 1 257.378 -0.053 20 0 CBADMP CC[C@H]([NH3+])c1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000229946372 544499576 /nfs/dbraw/zinc/49/95/76/544499576.db2.gz DLPNMMKDPZWZPO-JTQLQIEISA-N 2 1 266.349 -0.538 20 0 CBADMP C[C@@H](NC(=O)NCC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000133913806 544461869 /nfs/dbraw/zinc/46/18/69/544461869.db2.gz BGJHLZKGQFAFOF-GHMZBOCLSA-N 2 1 258.366 -0.434 20 0 CBADMP C[C@@H](NC(=O)NCC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000133913806 544461872 /nfs/dbraw/zinc/46/18/72/544461872.db2.gz BGJHLZKGQFAFOF-GHMZBOCLSA-N 2 1 258.366 -0.434 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)c3cn(CC[NH3+])nn3)CC[C@@H]21 ZINC000166615024 544476991 /nfs/dbraw/zinc/47/69/91/544476991.db2.gz FYTXDVQKGCIAFT-AAEUAGOBSA-N 2 1 292.387 -0.207 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000333575532 544545326 /nfs/dbraw/zinc/54/53/26/544545326.db2.gz SQVNQDVZFGNDQF-OLZOCXBDSA-N 2 1 282.388 -0.146 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000333759369 544545411 /nfs/dbraw/zinc/54/54/11/544545411.db2.gz AGEMDHCHVKGRMJ-YNEHKIRRSA-N 2 1 284.404 -0.165 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C2([NH3+])CCCC2)CC1 ZINC000237152011 544507958 /nfs/dbraw/zinc/50/79/58/544507958.db2.gz LIUHFWKYVXBUAZ-UHFFFAOYSA-N 2 1 296.415 -0.073 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000250519013 544513230 /nfs/dbraw/zinc/51/32/30/544513230.db2.gz RZOOXJAWUVGCSX-NWDGAFQWSA-N 2 1 255.362 -0.179 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261869517 544517793 /nfs/dbraw/zinc/51/77/93/544517793.db2.gz SEXHKWTVBXIQCQ-RWMBFGLXSA-N 2 1 268.405 -0.134 20 0 CBADMP CN1CCN(C)[C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261869517 544517797 /nfs/dbraw/zinc/51/77/97/544517797.db2.gz SEXHKWTVBXIQCQ-RWMBFGLXSA-N 2 1 268.405 -0.134 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C1CCC1 ZINC000661153634 419475926 /nfs/dbraw/zinc/47/59/26/419475926.db2.gz LDBHJNYLVBAHBW-QWHCGFSZSA-N 2 1 260.378 -0.324 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C1CCC1 ZINC000661153634 419475933 /nfs/dbraw/zinc/47/59/33/419475933.db2.gz LDBHJNYLVBAHBW-QWHCGFSZSA-N 2 1 260.378 -0.324 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+]C1(COC)CCOCC1 ZINC000660633865 419421185 /nfs/dbraw/zinc/42/11/85/419421185.db2.gz CVQHEDONEPQPOM-CYBMUJFWSA-N 2 1 290.404 -0.289 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1(COC)CCOCC1 ZINC000660633865 419421194 /nfs/dbraw/zinc/42/11/94/419421194.db2.gz CVQHEDONEPQPOM-CYBMUJFWSA-N 2 1 290.404 -0.289 20 0 CBADMP Nc1nc(NCC[N@H+]2CC[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC000624679687 419424944 /nfs/dbraw/zinc/42/49/44/419424944.db2.gz MKWOLMHPROBBSJ-SNVBAGLBSA-N 2 1 277.372 -0.162 20 0 CBADMP C[NH2+]CCC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000043605814 419429650 /nfs/dbraw/zinc/42/96/50/419429650.db2.gz BSWLMZAJLFMTTL-CYBMUJFWSA-N 2 1 270.421 -0.016 20 0 CBADMP Cc1[nH+]ccn1CC[N@H+](CCO)CCOCCO ZINC000660781283 419442204 /nfs/dbraw/zinc/44/22/04/419442204.db2.gz SHTQXLVFNFEPJZ-UHFFFAOYSA-N 2 1 257.334 -0.505 20 0 CBADMP Cc1[nH+]ccn1CC[N@@H+](CCO)CCOCCO ZINC000660781283 419442216 /nfs/dbraw/zinc/44/22/16/419442216.db2.gz SHTQXLVFNFEPJZ-UHFFFAOYSA-N 2 1 257.334 -0.505 20 0 CBADMP CC(C)CNC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150653 419468215 /nfs/dbraw/zinc/46/82/15/419468215.db2.gz UKHDAOKVKXDNLZ-UHFFFAOYSA-N 2 1 256.394 -0.404 20 0 CBADMP CC(C)CNC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150653 419468219 /nfs/dbraw/zinc/46/82/19/419468219.db2.gz UKHDAOKVKXDNLZ-UHFFFAOYSA-N 2 1 256.394 -0.404 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NC1CCCC1 ZINC000071150635 419468738 /nfs/dbraw/zinc/46/87/38/419468738.db2.gz ZJYMIEVUGKNDOA-UHFFFAOYSA-N 2 1 268.405 -0.118 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NC1CCCC1 ZINC000071150635 419468744 /nfs/dbraw/zinc/46/87/44/419468744.db2.gz ZJYMIEVUGKNDOA-UHFFFAOYSA-N 2 1 268.405 -0.118 20 0 CBADMP CCN(C)C[C@H](O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661138435 419468760 /nfs/dbraw/zinc/46/87/60/419468760.db2.gz BIQQGEGCAPZZAH-OLZOCXBDSA-N 2 1 267.377 -0.087 20 0 CBADMP CC[N@H+](C)C[C@H](O)CN1CC[C@@H](Cn2ccnn2)C1 ZINC000661138435 419468768 /nfs/dbraw/zinc/46/87/68/419468768.db2.gz BIQQGEGCAPZZAH-OLZOCXBDSA-N 2 1 267.377 -0.087 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](Cn2ccnn2)C1 ZINC000661138435 419468775 /nfs/dbraw/zinc/46/87/75/419468775.db2.gz BIQQGEGCAPZZAH-OLZOCXBDSA-N 2 1 267.377 -0.087 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661138435 419468788 /nfs/dbraw/zinc/46/87/88/419468788.db2.gz BIQQGEGCAPZZAH-OLZOCXBDSA-N 2 1 267.377 -0.087 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661138435 419468793 /nfs/dbraw/zinc/46/87/93/419468793.db2.gz BIQQGEGCAPZZAH-OLZOCXBDSA-N 2 1 267.377 -0.087 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661138435 419468799 /nfs/dbraw/zinc/46/87/99/419468799.db2.gz BIQQGEGCAPZZAH-OLZOCXBDSA-N 2 1 267.377 -0.087 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661138435 419468804 /nfs/dbraw/zinc/46/88/04/419468804.db2.gz BIQQGEGCAPZZAH-OLZOCXBDSA-N 2 1 267.377 -0.087 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394372385 544579122 /nfs/dbraw/zinc/57/91/22/544579122.db2.gz LGKRFLLNZCAOSP-RYUDHWBXSA-N 2 1 254.378 -0.524 20 0 CBADMP O[C@]12C[C@H]1C[NH+](CCOCC[N@H+]1CC[C@@]3(O)C[C@H]3C1)CC2 ZINC000661723236 419523066 /nfs/dbraw/zinc/52/30/66/419523066.db2.gz WLGIHXZIZBREMJ-CAOSSQGBSA-N 2 1 296.411 -0.084 20 0 CBADMP CCN1CC[C@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662275336 419567547 /nfs/dbraw/zinc/56/75/47/419567547.db2.gz AOGYQYRCXIRQMH-OLZOCXBDSA-N 2 1 266.389 -0.413 20 0 CBADMP C[C@H](O)[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000661765077 419524509 /nfs/dbraw/zinc/52/45/09/419524509.db2.gz MKEUCXNETZFWBN-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](O)[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000661765077 419524517 /nfs/dbraw/zinc/52/45/17/419524517.db2.gz MKEUCXNETZFWBN-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N[C@@H]2CCC[NH2+]CC2)O1 ZINC000638191247 419526438 /nfs/dbraw/zinc/52/64/38/419526438.db2.gz XCRAHRJGGOKQQA-UTUOFQBUSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N[C@@H]2CCC[NH2+]CC2)O1 ZINC000638191247 419526446 /nfs/dbraw/zinc/52/64/46/419526446.db2.gz XCRAHRJGGOKQQA-UTUOFQBUSA-N 2 1 255.362 -0.036 20 0 CBADMP O=C1NC[C@@H]2C[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CCN12 ZINC000662259313 419567591 /nfs/dbraw/zinc/56/75/91/419567591.db2.gz UXHRVKJIHMDQJU-MNOVXSKESA-N 2 1 266.345 -0.783 20 0 CBADMP O=C1NC[C@@H]2C[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CCN12 ZINC000662259313 419567596 /nfs/dbraw/zinc/56/75/96/419567596.db2.gz UXHRVKJIHMDQJU-MNOVXSKESA-N 2 1 266.345 -0.783 20 0 CBADMP CC[C@@H]1CN(C[C@H]2C[NH2+]CCO2)CC[N@H+]1C[C@@H](C)O ZINC000662262179 419567907 /nfs/dbraw/zinc/56/79/07/419567907.db2.gz SDDQMDWTOCGLDW-MGPQQGTHSA-N 2 1 271.405 -0.248 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662147745 419550194 /nfs/dbraw/zinc/55/01/94/419550194.db2.gz FYZCSNZBGHOBRK-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662147745 419550200 /nfs/dbraw/zinc/55/02/00/419550200.db2.gz FYZCSNZBGHOBRK-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP CCOC[C@@H](O)CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662157733 419550845 /nfs/dbraw/zinc/55/08/45/419550845.db2.gz PWLJLTVAALGQGM-KBPBESRZSA-N 2 1 272.389 -0.085 20 0 CBADMP C[C@H](C(=O)N(C)C)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662157884 419551825 /nfs/dbraw/zinc/55/18/25/419551825.db2.gz SQRCIQQJWYPWQB-DGCLKSJQSA-N 2 1 269.389 -0.006 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000389758300 544577053 /nfs/dbraw/zinc/57/70/53/544577053.db2.gz SAJSAWKQLXEOGF-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)COC2(C)C[NH2+]C2)C1 ZINC000389727774 544577273 /nfs/dbraw/zinc/57/72/73/544577273.db2.gz LKOSNEZIHUGZCT-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP C([C@@H]1CCN(C[C@@H]2C[NH2+]CCO2)C1)[NH+]1CCOCC1 ZINC000662263486 419568705 /nfs/dbraw/zinc/56/87/05/419568705.db2.gz MNDXCIBOPVWCAX-KBPBESRZSA-N 2 1 269.389 -0.371 20 0 CBADMP CC[N@H+](CC(=O)N(C)C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250675 419561095 /nfs/dbraw/zinc/56/10/95/419561095.db2.gz LQXXIOMWPHLCIR-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256736 419562615 /nfs/dbraw/zinc/56/26/15/419562615.db2.gz YKIMSOXGUQRYRV-NEPJUHHUSA-N 2 1 267.373 -0.035 20 0 CBADMP COCCCNC(=O)C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248944 419562941 /nfs/dbraw/zinc/56/29/41/419562941.db2.gz MDSYHEMYKNIENF-LBPRGKRZSA-N 2 1 285.388 -0.408 20 0 CBADMP COCCCNC(=O)C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248944 419562945 /nfs/dbraw/zinc/56/29/45/419562945.db2.gz MDSYHEMYKNIENF-LBPRGKRZSA-N 2 1 285.388 -0.408 20 0 CBADMP COC[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662255987 419563466 /nfs/dbraw/zinc/56/34/66/419563466.db2.gz TVBCCRODVMVZGK-VXGBXAGGSA-N 2 1 256.346 -0.145 20 0 CBADMP COC[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662255987 419563473 /nfs/dbraw/zinc/56/34/73/419563473.db2.gz TVBCCRODVMVZGK-VXGBXAGGSA-N 2 1 256.346 -0.145 20 0 CBADMP CNC(=O)[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252145 419563494 /nfs/dbraw/zinc/56/34/94/419563494.db2.gz KPZGHSLTICUOFZ-GHMZBOCLSA-N 2 1 253.346 -0.282 20 0 CBADMP O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253715 419564090 /nfs/dbraw/zinc/56/40/90/419564090.db2.gz JZTTVTJLKAPNFK-OLZOCXBDSA-N 2 1 294.399 -0.003 20 0 CBADMP C[C@@H](CNC(=O)CN1CC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000219963131 419564618 /nfs/dbraw/zinc/56/46/18/419564618.db2.gz FAQDHVRYAPXYRM-NSHDSACASA-N 2 1 254.378 -0.510 20 0 CBADMP CC[N@@H+](CCNC(=O)CN1CC[NH2+]CC1)C1CC1 ZINC000219918621 419565186 /nfs/dbraw/zinc/56/51/86/419565186.db2.gz SPSIXPFHDFPJGX-UHFFFAOYSA-N 2 1 254.378 -0.508 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000220094072 419565291 /nfs/dbraw/zinc/56/52/91/419565291.db2.gz HSLLMLKKMMQICB-JTQLQIEISA-N 2 1 268.365 -0.303 20 0 CBADMP CCN1CC[C@@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662275335 419565139 /nfs/dbraw/zinc/56/51/39/419565139.db2.gz AOGYQYRCXIRQMH-CHWSQXEVSA-N 2 1 266.389 -0.413 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000130292886 419497395 /nfs/dbraw/zinc/49/73/95/419497395.db2.gz XKMRLHJLYXBTMP-KGLIPLIRSA-N 2 1 297.399 -0.312 20 0 CBADMP C[C@@H]1CC[C@@H](C[N@H+](C)CC(=O)N2CC[NH2+]CC2)O1 ZINC000129372800 419498309 /nfs/dbraw/zinc/49/83/09/419498309.db2.gz ORKKRAYMQCMGCZ-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@@H]1CC[C@@H](C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)O1 ZINC000129372800 419498320 /nfs/dbraw/zinc/49/83/20/419498320.db2.gz ORKKRAYMQCMGCZ-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258760 419566632 /nfs/dbraw/zinc/56/66/32/419566632.db2.gz XKSJSVGWRABLCN-NWDGAFQWSA-N 2 1 267.373 -0.036 20 0 CBADMP CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258760 419566639 /nfs/dbraw/zinc/56/66/39/419566639.db2.gz XKSJSVGWRABLCN-NWDGAFQWSA-N 2 1 267.373 -0.036 20 0 CBADMP CN(C)C(=O)CN1CCC[C@H]([N@@H+](C)CC(=O)N(C)C)CC1 ZINC000156973015 419503554 /nfs/dbraw/zinc/50/35/54/419503554.db2.gz HNVOGXLOPFZEFQ-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCN1CC[C@@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662275337 419567231 /nfs/dbraw/zinc/56/72/31/419567231.db2.gz AOGYQYRCXIRQMH-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP O=C1NC[C@H]2C[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CCN12 ZINC000662259314 419567380 /nfs/dbraw/zinc/56/73/80/419567380.db2.gz UXHRVKJIHMDQJU-QWRGUYRKSA-N 2 1 266.345 -0.783 20 0 CBADMP O=C1NC[C@H]2C[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CCN12 ZINC000662259314 419567389 /nfs/dbraw/zinc/56/73/89/419567389.db2.gz UXHRVKJIHMDQJU-QWRGUYRKSA-N 2 1 266.345 -0.783 20 0 CBADMP C[C@H](C(=O)NC[C@H]1CCCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000647705792 419635379 /nfs/dbraw/zinc/63/53/79/419635379.db2.gz NSIPEIMVIUDADA-CHWSQXEVSA-N 2 1 268.405 -0.119 20 0 CBADMP [NH3+]Cc1cc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)ccn1 ZINC000394378449 544579882 /nfs/dbraw/zinc/57/98/82/544579882.db2.gz INMOTWYWVVWTHW-AWEZNQCLSA-N 2 1 289.383 -0.340 20 0 CBADMP CN(C)C(=O)NCC[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662281118 419574600 /nfs/dbraw/zinc/57/46/00/419574600.db2.gz SZZKYNCOCKSPKI-LLVKDONJSA-N 2 1 270.377 -0.290 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCC[NH3+] ZINC000237017643 419576363 /nfs/dbraw/zinc/57/63/63/419576363.db2.gz WNWKUBHIFFMRDL-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP COCC[NH2+]CC(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000237223562 419577413 /nfs/dbraw/zinc/57/74/13/419577413.db2.gz IWQFULUVCYWYKH-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1CCC[NH2+]1 ZINC000394382535 544581094 /nfs/dbraw/zinc/58/10/94/544581094.db2.gz RYIGJTTXXFRJBD-RYUDHWBXSA-N 2 1 252.362 -0.756 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)[C@H](C)[NH3+] ZINC000394381573 544581337 /nfs/dbraw/zinc/58/13/37/544581337.db2.gz MLVGMDWWNADCRI-WOPDTQHZSA-N 2 1 254.378 -0.524 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H](C)[NH3+] ZINC000394381569 544581462 /nfs/dbraw/zinc/58/14/62/544581462.db2.gz MLVGMDWWNADCRI-GRYCIOLGSA-N 2 1 254.378 -0.524 20 0 CBADMP C[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000237476675 419581371 /nfs/dbraw/zinc/58/13/71/419581371.db2.gz ZPEWPAXGGYTTJB-UKRRQHHQSA-N 2 1 282.432 -0.014 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394381570 544581609 /nfs/dbraw/zinc/58/16/09/544581609.db2.gz MLVGMDWWNADCRI-SDDRHHMPSA-N 2 1 254.378 -0.524 20 0 CBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000237449922 419582261 /nfs/dbraw/zinc/58/22/61/419582261.db2.gz IGKVZNZWKDCHAO-VXGBXAGGSA-N 2 1 271.361 -0.798 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662296610 419582283 /nfs/dbraw/zinc/58/22/83/419582283.db2.gz TZDMDVMBHVIXHM-NWDGAFQWSA-N 2 1 253.350 -0.430 20 0 CBADMP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000647711373 419639429 /nfs/dbraw/zinc/63/94/29/419639429.db2.gz HZGFAZHSHXRGFS-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP CC(C)[NH2+]CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394382008 544581725 /nfs/dbraw/zinc/58/17/25/544581725.db2.gz ORSWCJQNXBFCKT-GFCCVEGCSA-N 2 1 254.378 -0.510 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000237314962 419583032 /nfs/dbraw/zinc/58/30/32/419583032.db2.gz LQBDDDJAWJCBPB-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H]2COC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662317503 419583105 /nfs/dbraw/zinc/58/31/05/419583105.db2.gz QIJYUBAUMNKXLU-OLZOCXBDSA-N 2 1 267.373 -0.223 20 0 CBADMP O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1CN2CCN1CCC2 ZINC000394388156 544581804 /nfs/dbraw/zinc/58/18/04/544581804.db2.gz YBDQHIFFZJNSEB-STQMWFEESA-N 2 1 266.389 -0.508 20 0 CBADMP CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000662317210 419585203 /nfs/dbraw/zinc/58/52/03/419585203.db2.gz NREBDFOLEQQEPY-NSHDSACASA-N 2 1 258.366 -0.351 20 0 CBADMP CN1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCC1=O ZINC000662317626 419586053 /nfs/dbraw/zinc/58/60/53/419586053.db2.gz YEUNJDBZVOIVGM-NSHDSACASA-N 2 1 253.346 -0.329 20 0 CBADMP CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCN1CC[NH2+]CC1 ZINC000662304854 419586129 /nfs/dbraw/zinc/58/61/29/419586129.db2.gz CNJXPNFXDPTUBS-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000662304854 419586133 /nfs/dbraw/zinc/58/61/33/419586133.db2.gz CNJXPNFXDPTUBS-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@]12COC[C@@H]1C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000662310729 419586745 /nfs/dbraw/zinc/58/67/45/419586745.db2.gz MQYKCAXPDVOWBI-JSGCOSHPSA-N 2 1 267.373 -0.223 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261789475 419598463 /nfs/dbraw/zinc/59/84/63/419598463.db2.gz UTTFZSXSXCYDRO-IUODEOHRSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261789475 419598471 /nfs/dbraw/zinc/59/84/71/419598471.db2.gz UTTFZSXSXCYDRO-IUODEOHRSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH2+]C[C@@H](O)CNC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647526526 419604345 /nfs/dbraw/zinc/60/43/45/419604345.db2.gz APXABEDMIXEIAE-HUUCEWRRSA-N 2 1 281.400 -0.351 20 0 CBADMP CCS(=O)(=O)NCCC[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549239 419606875 /nfs/dbraw/zinc/60/68/75/419606875.db2.gz ORCMOFVLPNGPJP-WDEREUQCSA-N 2 1 263.407 -0.097 20 0 CBADMP CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000647549467 419607048 /nfs/dbraw/zinc/60/70/48/419607048.db2.gz BWEIWMTZAJLYGF-QWRGUYRKSA-N 2 1 261.391 -0.391 20 0 CBADMP CC[C@@H]([NH2+]C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000662453609 419609890 /nfs/dbraw/zinc/60/98/90/419609890.db2.gz VDQFVTJFBOKIHP-GFCCVEGCSA-N 2 1 284.404 -0.347 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662453254 419610046 /nfs/dbraw/zinc/61/00/46/419610046.db2.gz VRQFCHKJHDMKEL-UTUOFQBUSA-N 2 1 255.362 -0.049 20 0 CBADMP [NH3+]CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)nn1 ZINC000662450600 419611579 /nfs/dbraw/zinc/61/15/79/419611579.db2.gz AFIJSAABNNFSIQ-LLVKDONJSA-N 2 1 278.360 -0.549 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@](CO)(OC)C1 ZINC000401813910 544584755 /nfs/dbraw/zinc/58/47/55/544584755.db2.gz WESZBTBGXFYXEF-OLZOCXBDSA-N 2 1 260.378 -0.228 20 0 CBADMP CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000401813910 544584758 /nfs/dbraw/zinc/58/47/58/544584758.db2.gz WESZBTBGXFYXEF-OLZOCXBDSA-N 2 1 260.378 -0.228 20 0 CBADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000401813910 544584765 /nfs/dbraw/zinc/58/47/65/544584765.db2.gz WESZBTBGXFYXEF-OLZOCXBDSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000662479773 419617292 /nfs/dbraw/zinc/61/72/92/419617292.db2.gz MRWQSJFHDUOSFA-OLZOCXBDSA-N 2 1 270.421 -0.016 20 0 CBADMP COC[C@@]1(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC[NH2+]C1 ZINC000310865516 419619577 /nfs/dbraw/zinc/61/95/77/419619577.db2.gz RKWBPIXIEBYFJT-WCQYABFASA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000647594963 419620238 /nfs/dbraw/zinc/62/02/38/419620238.db2.gz BFNXUASTMRCRFD-DCAQKATOSA-N 2 1 284.404 -0.173 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000662497457 419623442 /nfs/dbraw/zinc/62/34/42/419623442.db2.gz JNOQLNWOBVLWOE-MWLCHTKSSA-N 2 1 278.360 -0.551 20 0 CBADMP C[N@H+](CCOC[C@@H]1CCCO1)CC(=O)N1CC[NH2+]CC1 ZINC000647824137 419661445 /nfs/dbraw/zinc/66/14/45/419661445.db2.gz SBURBZVUERTDIP-ZDUSSCGKSA-N 2 1 285.388 -0.454 20 0 CBADMP C[N@@H+](CCOC[C@@H]1CCCO1)CC(=O)N1CC[NH2+]CC1 ZINC000647824137 419661453 /nfs/dbraw/zinc/66/14/53/419661453.db2.gz SBURBZVUERTDIP-ZDUSSCGKSA-N 2 1 285.388 -0.454 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647828432 419664520 /nfs/dbraw/zinc/66/45/20/419664520.db2.gz CZDSGDZPPPCJTF-VXGBXAGGSA-N 3 1 254.378 -0.617 20 0 CBADMP C[C@@H](C[N@H+](C)CCN1CC[NH2+]CC1)CS(C)(=O)=O ZINC000647835978 419665687 /nfs/dbraw/zinc/66/56/87/419665687.db2.gz XEDLNNAWKWSNIX-LBPRGKRZSA-N 2 1 277.434 -0.496 20 0 CBADMP C[C@@H](C[N@@H+](C)CCN1CC[NH2+]CC1)CS(C)(=O)=O ZINC000647835978 419665694 /nfs/dbraw/zinc/66/56/94/419665694.db2.gz XEDLNNAWKWSNIX-LBPRGKRZSA-N 2 1 277.434 -0.496 20 0 CBADMP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CCC[NH3+] ZINC000647849559 419672065 /nfs/dbraw/zinc/67/20/65/419672065.db2.gz YBWKCRHPKBJDPX-QWRGUYRKSA-N 2 1 270.377 -0.621 20 0 CBADMP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)CCC[NH3+] ZINC000647849559 419672070 /nfs/dbraw/zinc/67/20/70/419672070.db2.gz YBWKCRHPKBJDPX-QWRGUYRKSA-N 2 1 270.377 -0.621 20 0 CBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC(F)(F)C[NH3+] ZINC000662660615 419674665 /nfs/dbraw/zinc/67/46/65/419674665.db2.gz XIMOXXXUJROZIR-UHFFFAOYSA-N 2 1 294.346 -0.551 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000647865683 419675009 /nfs/dbraw/zinc/67/50/09/419675009.db2.gz QDCHZQGCLIBTDQ-CHWSQXEVSA-N 2 1 284.404 -0.802 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000647865684 419676600 /nfs/dbraw/zinc/67/66/00/419676600.db2.gz QDCHZQGCLIBTDQ-OLZOCXBDSA-N 2 1 284.404 -0.802 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662684037 419681297 /nfs/dbraw/zinc/68/12/97/419681297.db2.gz ADENABXOZXXJEN-LLVKDONJSA-N 2 1 280.376 -0.349 20 0 CBADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662690283 419686963 /nfs/dbraw/zinc/68/69/63/419686963.db2.gz LUTNMTKBJPRSLJ-UHFFFAOYSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000662700690 419688326 /nfs/dbraw/zinc/68/83/26/419688326.db2.gz JUGUZTLWEVHAHZ-IJLUTSLNSA-N 2 1 255.362 -0.192 20 0 CBADMP C(C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000647891565 419688303 /nfs/dbraw/zinc/68/83/03/419688303.db2.gz RPXBWLKWNVKFCS-UONOGXRCSA-N 2 1 269.389 -0.229 20 0 CBADMP C(C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000647891565 419688308 /nfs/dbraw/zinc/68/83/08/419688308.db2.gz RPXBWLKWNVKFCS-UONOGXRCSA-N 2 1 269.389 -0.229 20 0 CBADMP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000662698449 419688486 /nfs/dbraw/zinc/68/84/86/419688486.db2.gz MQZFDLQEYRSCGY-LBPRGKRZSA-N 2 1 289.379 -0.116 20 0 CBADMP CC[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647934362 419690927 /nfs/dbraw/zinc/69/09/27/419690927.db2.gz BVUPBMJUMPHNEJ-STQMWFEESA-N 3 1 268.405 -0.133 20 0 CBADMP CC[C@H]1C[N@H+](CCC(=O)N2CCNCC2)CC[C@@H]1[NH3+] ZINC000647934362 419690935 /nfs/dbraw/zinc/69/09/35/419690935.db2.gz BVUPBMJUMPHNEJ-STQMWFEESA-N 2 1 268.405 -0.133 20 0 CBADMP CC[C@H]1C[N@@H+](CCC(=O)N2CCNCC2)CC[C@@H]1[NH3+] ZINC000647934362 419690944 /nfs/dbraw/zinc/69/09/44/419690944.db2.gz BVUPBMJUMPHNEJ-STQMWFEESA-N 2 1 268.405 -0.133 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000662704230 419693657 /nfs/dbraw/zinc/69/36/57/419693657.db2.gz XAQUPDSBKHADQU-NEPJUHHUSA-N 2 1 256.394 -0.134 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662704033 419695696 /nfs/dbraw/zinc/69/56/96/419695696.db2.gz SBLHZOQEYYNUGE-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000662717542 419698189 /nfs/dbraw/zinc/69/81/89/419698189.db2.gz OTWYRXIKYDUAKZ-SDDRHHMPSA-N 2 1 255.362 -0.348 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@H]1C ZINC000662725220 419701787 /nfs/dbraw/zinc/70/17/87/419701787.db2.gz YUGCBBRPPMWYKY-JHJVBQTASA-N 2 1 285.388 -0.471 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@H]1C ZINC000662725220 419701797 /nfs/dbraw/zinc/70/17/97/419701797.db2.gz YUGCBBRPPMWYKY-JHJVBQTASA-N 2 1 285.388 -0.471 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000647973983 419703843 /nfs/dbraw/zinc/70/38/43/419703843.db2.gz OCYIPJRHQQXLPS-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP COC[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000647989902 419705307 /nfs/dbraw/zinc/70/53/07/419705307.db2.gz CHVJCGAHKFKBAG-OLZOCXBDSA-N 2 1 257.378 -0.373 20 0 CBADMP COC[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000647989902 419705316 /nfs/dbraw/zinc/70/53/16/419705316.db2.gz CHVJCGAHKFKBAG-OLZOCXBDSA-N 2 1 257.378 -0.373 20 0 CBADMP [NH3+]CC1(O)CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000647992657 419707683 /nfs/dbraw/zinc/70/76/83/419707683.db2.gz XMPZNMIZBFATDH-GJZGRUSLSA-N 2 1 293.411 -0.297 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000647816922 419660817 /nfs/dbraw/zinc/66/08/17/419660817.db2.gz DJXTVXPCTKEJCF-UHFFFAOYSA-N 3 1 254.378 -0.508 20 0 CBADMP O=C(N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1(O)C[NH2+]C1 ZINC000662805867 419729899 /nfs/dbraw/zinc/72/98/99/419729899.db2.gz ODAMKICLVFZRKY-WCQYABFASA-N 2 1 279.384 -0.204 20 0 CBADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000662796858 419731199 /nfs/dbraw/zinc/73/11/99/419731199.db2.gz CUILZYIYVHYQQN-NWDGAFQWSA-N 2 1 271.361 -0.811 20 0 CBADMP CC(C)([NH3+])CCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000648110890 419735723 /nfs/dbraw/zinc/73/57/23/419735723.db2.gz YJXKBMKACJYEIX-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP COCC1(CNC(=O)[C@@H]2CSC[NH2+]2)CC[NH2+]CC1 ZINC000648132928 419745461 /nfs/dbraw/zinc/74/54/61/419745461.db2.gz HUKJTINIELGXLC-JTQLQIEISA-N 2 1 273.402 -0.219 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)COC1(C)C[NH2+]C1 ZINC000648131919 419745982 /nfs/dbraw/zinc/74/59/82/419745982.db2.gz YBVRWNHVWFDIQQ-LLVKDONJSA-N 2 1 293.371 -0.729 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000662942661 419786760 /nfs/dbraw/zinc/78/67/60/419786760.db2.gz YVJLCZYFCZIRET-GFCCVEGCSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)COC2(C)C[NH2+]C2)C[C@H](C)O1 ZINC000648154702 419758732 /nfs/dbraw/zinc/75/87/32/419758732.db2.gz ZUMCLPFXCJQEGQ-BETUJISGSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)COC2(C)C[NH2+]C2)C[C@H](C)O1 ZINC000648154702 419758739 /nfs/dbraw/zinc/75/87/39/419758739.db2.gz ZUMCLPFXCJQEGQ-BETUJISGSA-N 2 1 299.415 -0.068 20 0 CBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C[NH3+])CC1 ZINC000648152540 419759564 /nfs/dbraw/zinc/75/95/64/419759564.db2.gz CAXVBRJVCLHERG-LBPRGKRZSA-N 2 1 254.378 -0.426 20 0 CBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)COCC[NH3+])C1 ZINC000648157933 419762263 /nfs/dbraw/zinc/76/22/63/419762263.db2.gz VWFZFMIENRFEGQ-RYUDHWBXSA-N 2 1 255.362 -0.096 20 0 CBADMP CC1(OCC(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)C[NH2+]C1 ZINC000648176773 419765897 /nfs/dbraw/zinc/76/58/97/419765897.db2.gz MTEVSBCUJVYPRH-CYBMUJFWSA-N 2 1 290.367 -0.067 20 0 CBADMP [NH3+]CCOCC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000648176977 419767045 /nfs/dbraw/zinc/76/70/45/419767045.db2.gz WECKEWLVKAWZRZ-GFCCVEGCSA-N 2 1 264.329 -0.470 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662907343 419768086 /nfs/dbraw/zinc/76/80/86/419768086.db2.gz SYBZQBLHXRTEAQ-NFAWXSAZSA-N 2 1 278.400 -0.508 20 0 CBADMP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662905618 419769210 /nfs/dbraw/zinc/76/92/10/419769210.db2.gz FIWSMMYNEQAPBX-OLZOCXBDSA-N 2 1 280.416 -0.119 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)C1 ZINC000662910383 419769935 /nfs/dbraw/zinc/76/99/35/419769935.db2.gz NUVWJDYYYCOOGV-IJLUTSLNSA-N 2 1 255.362 -0.036 20 0 CBADMP [NH3+]CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000662911199 419773258 /nfs/dbraw/zinc/77/32/58/419773258.db2.gz CYUAASNAEKCBEL-GHMZBOCLSA-N 2 1 253.346 -0.295 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000662943885 419787566 /nfs/dbraw/zinc/78/75/66/419787566.db2.gz CZQKURWPAZNVQD-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000662943914 419787699 /nfs/dbraw/zinc/78/76/99/419787699.db2.gz DSGVXVMYNKZUFR-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000648781588 419805126 /nfs/dbraw/zinc/80/51/26/419805126.db2.gz OHSNDUIWUSSZFE-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000648781588 419805130 /nfs/dbraw/zinc/80/51/30/419805130.db2.gz OHSNDUIWUSSZFE-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCN(CCO)[C@@H](C)C2)CC[N@H+]1C ZINC000648867571 419815696 /nfs/dbraw/zinc/81/56/96/419815696.db2.gz RYVAAWNACOBRJU-YNEHKIRRSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@@H+]1C ZINC000648867571 419815701 /nfs/dbraw/zinc/81/57/01/419815701.db2.gz RYVAAWNACOBRJU-YNEHKIRRSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@H+]1C ZINC000648867571 419815707 /nfs/dbraw/zinc/81/57/07/419815707.db2.gz RYVAAWNACOBRJU-YNEHKIRRSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1C ZINC000648867571 419815712 /nfs/dbraw/zinc/81/57/12/419815712.db2.gz RYVAAWNACOBRJU-YNEHKIRRSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1C ZINC000648867571 419815716 /nfs/dbraw/zinc/81/57/16/419815716.db2.gz RYVAAWNACOBRJU-YNEHKIRRSA-N 2 1 269.389 -0.148 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](CC(N)=O)C1CCOCC1)C1CC1 ZINC000351582826 419821047 /nfs/dbraw/zinc/82/10/47/419821047.db2.gz RPRICVCUVCFWQI-UONOGXRCSA-N 2 1 299.415 -0.298 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CC(N)=O)C1CCOCC1)C1CC1 ZINC000351582826 419821057 /nfs/dbraw/zinc/82/10/57/419821057.db2.gz RPRICVCUVCFWQI-UONOGXRCSA-N 2 1 299.415 -0.298 20 0 CBADMP C[C@@H](C[S@](C)=O)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000350761259 419821612 /nfs/dbraw/zinc/82/16/12/419821612.db2.gz DDYDMNLRSBSRGZ-BUXKBTBVSA-N 2 1 289.445 -0.151 20 0 CBADMP C[C@@H](C[S@](C)=O)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000350761259 419821618 /nfs/dbraw/zinc/82/16/18/419821618.db2.gz DDYDMNLRSBSRGZ-BUXKBTBVSA-N 2 1 289.445 -0.151 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCN2CC[NH2+]CC2)C1 ZINC000649271590 419856982 /nfs/dbraw/zinc/85/69/82/419856982.db2.gz NTLKWLPHNFMBBG-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CCN2CC[NH2+]CC2)C1 ZINC000649271590 419856992 /nfs/dbraw/zinc/85/69/92/419856992.db2.gz NTLKWLPHNFMBBG-CYBMUJFWSA-N 2 1 284.404 -0.929 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H]1O ZINC000663718186 419857591 /nfs/dbraw/zinc/85/75/91/419857591.db2.gz ZMHXQTQYWBKDEK-XUXIUFHCSA-N 2 1 296.415 -0.071 20 0 CBADMP CCC[C@H]1CNCCN1C(=O)C(=O)N(C)Cc1c[nH]cn1 ZINC000662953568 419792208 /nfs/dbraw/zinc/79/22/08/419792208.db2.gz MMHGBBGCKBIITO-LBPRGKRZSA-N 2 1 293.371 -0.031 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000355286475 419867470 /nfs/dbraw/zinc/86/74/70/419867470.db2.gz XPRYVKRVSQQHKW-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000649296463 419868105 /nfs/dbraw/zinc/86/81/05/419868105.db2.gz HGGZMKDERDALPO-LBPRGKRZSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@@H]1C[N@H+](CCCCNC(=O)COCC[NH3+])C[C@H](C)O1 ZINC000649302422 419870855 /nfs/dbraw/zinc/87/08/55/419870855.db2.gz OFZQXCNVLAQPFU-BETUJISGSA-N 2 1 287.404 -0.033 20 0 CBADMP Nc1nsc(N2CC[NH+](CCOCC[NH3+])CC2)n1 ZINC000357078018 419883688 /nfs/dbraw/zinc/88/36/88/419883688.db2.gz JXXNJUOSROVLPP-UHFFFAOYSA-N 2 1 272.378 -0.782 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@@H]1O ZINC000664181139 419885091 /nfs/dbraw/zinc/88/50/91/419885091.db2.gz HFWWSNSGIGGDMB-IHRRRGAJSA-N 2 1 296.415 -0.213 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)CC2([NH3+])CCC2)CC1 ZINC000649291709 419861737 /nfs/dbraw/zinc/86/17/37/419861737.db2.gz MXZDFFXVNABYCO-UHFFFAOYSA-N 2 1 282.388 -0.462 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000663776596 419861778 /nfs/dbraw/zinc/86/17/78/419861778.db2.gz SBSFKXVXBDSXTC-AVGNSLFASA-N 2 1 284.404 -0.213 20 0 CBADMP C[C@@H](NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1nccn1C ZINC000667251668 544658235 /nfs/dbraw/zinc/65/82/35/544658235.db2.gz RPILXLAUWSEEML-MFKMUULPSA-N 2 1 281.360 -0.153 20 0 CBADMP C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C)[NH+](C)C ZINC000649360804 419903695 /nfs/dbraw/zinc/90/36/95/419903695.db2.gz QWLVNHMHJAKMNT-WDEREUQCSA-N 2 1 265.361 -0.157 20 0 CBADMP CC[N@@H+]1C[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000664384008 419903680 /nfs/dbraw/zinc/90/36/80/419903680.db2.gz AEQAPUBFFYPWHC-CYDGBPFRSA-N 2 1 284.404 -0.357 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)C1 ZINC000649352856 419904599 /nfs/dbraw/zinc/90/45/99/419904599.db2.gz QQCCZLRUANHQEK-KBXIAJHMSA-N 2 1 292.427 -0.310 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649351272 419905420 /nfs/dbraw/zinc/90/54/20/419905420.db2.gz FTIUJDNERKUMSR-KBXIAJHMSA-N 2 1 294.443 -0.158 20 0 CBADMP C[N@@H+]1CCC[C@@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000669403280 544748746 /nfs/dbraw/zinc/74/87/46/544748746.db2.gz RFGYPELSBOEQSO-MRVPVSSYSA-N 2 1 250.293 -0.026 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000669403280 544748747 /nfs/dbraw/zinc/74/87/47/544748747.db2.gz RFGYPELSBOEQSO-MRVPVSSYSA-N 2 1 250.293 -0.026 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000669403150 544748996 /nfs/dbraw/zinc/74/89/96/544748996.db2.gz MFNKAOPWFNMUBK-GFCCVEGCSA-N 2 1 269.393 -0.715 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)NCC[N@@H+](C)C2CC2)CCO1 ZINC000669477828 544750454 /nfs/dbraw/zinc/75/04/54/544750454.db2.gz JJUHUQNKOHUPSE-CMPLNLGQSA-N 2 1 270.377 -0.162 20 0 CBADMP CN1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000669491023 544750759 /nfs/dbraw/zinc/75/07/59/544750759.db2.gz IPBUOFCTNFIDHQ-ZIAGYGMSSA-N 2 1 295.431 -0.245 20 0 CBADMP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491299 544751195 /nfs/dbraw/zinc/75/11/95/544751195.db2.gz UBMOLMXIDFQNDA-CQSZACIVSA-N 2 1 295.431 -0.325 20 0 CBADMP C[C@@H](NC(=O)NCC[NH2+]C1CC1)[C@H]1C[N@H+](C)CCO1 ZINC000669538185 544752190 /nfs/dbraw/zinc/75/21/90/544752190.db2.gz CUGGJUIDDFBNLH-ZYHUDNBSSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@@H](NC(=O)NCC[NH2+]C1CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538185 544752193 /nfs/dbraw/zinc/75/21/93/544752193.db2.gz CUGGJUIDDFBNLH-ZYHUDNBSSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538152 544752813 /nfs/dbraw/zinc/75/28/13/544752813.db2.gz AGTVVJLSAJCZJR-SRVKXCTJSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538152 544752817 /nfs/dbraw/zinc/75/28/17/544752817.db2.gz AGTVVJLSAJCZJR-SRVKXCTJSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](NC(=O)NCC1([NH3+])CCC1)[C@H]1C[N@H+](C)CCO1 ZINC000669538278 544752882 /nfs/dbraw/zinc/75/28/82/544752882.db2.gz HWRKJHJITIGAGC-WDEREUQCSA-N 2 1 270.377 -0.114 20 0 CBADMP C[C@H](NC(=O)NCC1([NH3+])CCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538278 544752884 /nfs/dbraw/zinc/75/28/84/544752884.db2.gz HWRKJHJITIGAGC-WDEREUQCSA-N 2 1 270.377 -0.114 20 0 CBADMP C[C@H](NC(=O)NCC[NH2+]C1CC1)[C@H]1C[N@H+](C)CCO1 ZINC000669538182 544752967 /nfs/dbraw/zinc/75/29/67/544752967.db2.gz CUGGJUIDDFBNLH-CMPLNLGQSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](NC(=O)NCC[NH2+]C1CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538182 544752968 /nfs/dbraw/zinc/75/29/68/544752968.db2.gz CUGGJUIDDFBNLH-CMPLNLGQSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@@H](NC(=O)N(C)C1CC([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000669538341 544754334 /nfs/dbraw/zinc/75/43/34/544754334.db2.gz MLYZRNQRIMFFFB-HBIQZDMRSA-N 2 1 270.377 -0.163 20 0 CBADMP C[C@@H](NC(=O)N(C)C1CC([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538341 544754337 /nfs/dbraw/zinc/75/43/37/544754337.db2.gz MLYZRNQRIMFFFB-HBIQZDMRSA-N 2 1 270.377 -0.163 20 0 CBADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000670407123 544784983 /nfs/dbraw/zinc/78/49/83/544784983.db2.gz KYRWUCRSZOCCIP-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP COC1(CO)CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000669935054 544767910 /nfs/dbraw/zinc/76/79/10/544767910.db2.gz NTPFTXQDQADXNZ-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](O)C1CC1 ZINC000669930774 544768594 /nfs/dbraw/zinc/76/85/94/544768594.db2.gz GCDCHKMJAPIMQD-CYBMUJFWSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](O)C1CC1 ZINC000669930774 544768597 /nfs/dbraw/zinc/76/85/97/544768597.db2.gz GCDCHKMJAPIMQD-CYBMUJFWSA-N 2 1 269.389 -0.147 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000665152925 419934440 /nfs/dbraw/zinc/93/44/40/419934440.db2.gz BGUWMZIAUDNRMT-SRVKXCTJSA-N 2 1 270.377 -0.603 20 0 CBADMP CC[N@@H+](CC(=O)NC[C@H]1C[NH+]2CCN1CCC2)C1CC1 ZINC000670407930 544786981 /nfs/dbraw/zinc/78/69/81/544786981.db2.gz CTRYZHAHJBURCP-AWEZNQCLSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[NH+](CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)C1CC1 ZINC000670407930 544786986 /nfs/dbraw/zinc/78/69/86/544786986.db2.gz CTRYZHAHJBURCP-AWEZNQCLSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[NH+](CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2)C1CC1 ZINC000670407930 544786989 /nfs/dbraw/zinc/78/69/89/544786989.db2.gz CTRYZHAHJBURCP-AWEZNQCLSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCNC(=O)CC2)CC1=O ZINC000649684904 419925247 /nfs/dbraw/zinc/92/52/47/419925247.db2.gz HGQZSHHJTUGWCC-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCNC(=O)CC2)CC1=O ZINC000649684904 419925251 /nfs/dbraw/zinc/92/52/51/419925251.db2.gz HGQZSHHJTUGWCC-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000672100911 544839273 /nfs/dbraw/zinc/83/92/73/544839273.db2.gz RLCKVBHZWBLJTJ-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000672100911 544839277 /nfs/dbraw/zinc/83/92/77/544839277.db2.gz RLCKVBHZWBLJTJ-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000672100911 544839282 /nfs/dbraw/zinc/83/92/82/544839282.db2.gz RLCKVBHZWBLJTJ-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+](C)C1CC1 ZINC000672207853 544842116 /nfs/dbraw/zinc/84/21/16/544842116.db2.gz IKXAAXSOHLGFKL-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1)[N@H+](C)C1CC1 ZINC000672207853 544842118 /nfs/dbraw/zinc/84/21/18/544842118.db2.gz IKXAAXSOHLGFKL-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1)[N@@H+](C)C1CC1 ZINC000672207853 544842122 /nfs/dbraw/zinc/84/21/22/544842122.db2.gz IKXAAXSOHLGFKL-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+](CCC1CC[NH2+]CC1)CC(=O)N1CC[NH2+]CC1 ZINC000359208615 419947916 /nfs/dbraw/zinc/94/79/16/419947916.db2.gz CHFWFRYGVVXUNM-UHFFFAOYSA-N 3 1 268.405 -0.260 20 0 CBADMP C[N@H+](CCC1CC[NH2+]CC1)CC(=O)N1CCNCC1 ZINC000359208615 419947922 /nfs/dbraw/zinc/94/79/22/419947922.db2.gz CHFWFRYGVVXUNM-UHFFFAOYSA-N 2 1 268.405 -0.260 20 0 CBADMP C[N@@H+](CCC1CC[NH2+]CC1)CC(=O)N1CCNCC1 ZINC000359208615 419947925 /nfs/dbraw/zinc/94/79/25/419947925.db2.gz CHFWFRYGVVXUNM-UHFFFAOYSA-N 2 1 268.405 -0.260 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCNC(=O)C1 ZINC000665638755 419959383 /nfs/dbraw/zinc/95/93/83/419959383.db2.gz AULBNNBTWZVQLH-LBPRGKRZSA-N 2 1 299.419 -0.600 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCNC(=O)C1 ZINC000665638755 419959387 /nfs/dbraw/zinc/95/93/87/419959387.db2.gz AULBNNBTWZVQLH-LBPRGKRZSA-N 2 1 299.419 -0.600 20 0 CBADMP CC1(C)NC(=O)N(CCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000359310555 419960003 /nfs/dbraw/zinc/96/00/03/419960003.db2.gz QQCWXKWPOUIWIO-PHIMTYICSA-N 2 1 280.372 -0.142 20 0 CBADMP CC1(C)NC(=O)N(CCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000359310555 419960007 /nfs/dbraw/zinc/96/00/07/419960007.db2.gz QQCWXKWPOUIWIO-PHIMTYICSA-N 2 1 280.372 -0.142 20 0 CBADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(=O)n(C)c1=O ZINC000650709265 419964742 /nfs/dbraw/zinc/96/47/42/419964742.db2.gz NSMNVAREZUADBG-WFASDCNBSA-N 2 1 292.383 -0.355 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CN2CCOCC2)C1 ZINC000359954041 419998142 /nfs/dbraw/zinc/99/81/42/419998142.db2.gz IABXHSMERCLNDK-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CN2CCOCC2)C1 ZINC000359954041 419998145 /nfs/dbraw/zinc/99/81/45/419998145.db2.gz IABXHSMERCLNDK-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP C[NH+](C)CCN1CCN(c2cc[nH+]cc2C(N)=O)CC1=O ZINC000651383326 420009649 /nfs/dbraw/zinc/00/96/49/420009649.db2.gz VAEZDKIWGDLDDH-UHFFFAOYSA-N 2 1 291.355 -0.609 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000364114695 420029135 /nfs/dbraw/zinc/02/91/35/420029135.db2.gz GBAFHPYNZBHNRH-UHFFFAOYSA-N 2 1 259.260 -0.621 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000364257559 420034460 /nfs/dbraw/zinc/03/44/60/420034460.db2.gz RVHFQEJDCPLEAC-GFCCVEGCSA-N 2 1 296.415 -0.025 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000364997505 420050199 /nfs/dbraw/zinc/05/01/99/420050199.db2.gz XRQXTOJSFOUVLV-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000652336925 420056425 /nfs/dbraw/zinc/05/64/25/420056425.db2.gz OWCJWSHWYNZXRR-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)[C@@H]1CC[NH3+] ZINC000652354507 420058859 /nfs/dbraw/zinc/05/88/59/420058859.db2.gz AOIULSKYEDKZBJ-GHMZBOCLSA-N 2 1 263.407 -0.015 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)[C@@H]1CC[NH3+] ZINC000652354507 420058862 /nfs/dbraw/zinc/05/88/62/420058862.db2.gz AOIULSKYEDKZBJ-GHMZBOCLSA-N 2 1 263.407 -0.015 20 0 CBADMP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351917 420059241 /nfs/dbraw/zinc/05/92/41/420059241.db2.gz IIPTUXSMMVYUPF-QWRGUYRKSA-N 2 1 261.391 -0.404 20 0 CBADMP CS(=O)(=O)NCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351917 420059244 /nfs/dbraw/zinc/05/92/44/420059244.db2.gz IIPTUXSMMVYUPF-QWRGUYRKSA-N 2 1 261.391 -0.404 20 0 CBADMP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365326972 420062069 /nfs/dbraw/zinc/06/20/69/420062069.db2.gz OLYGNUTZLPHTOM-GRYCIOLGSA-N 2 1 285.413 -0.641 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000365602580 420063315 /nfs/dbraw/zinc/06/33/15/420063315.db2.gz OJFKTDSCWHXOKS-IHRRRGAJSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000365602580 420063319 /nfs/dbraw/zinc/06/33/19/420063319.db2.gz OJFKTDSCWHXOKS-IHRRRGAJSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000365602580 420063321 /nfs/dbraw/zinc/06/33/21/420063321.db2.gz OJFKTDSCWHXOKS-IHRRRGAJSA-N 2 1 297.399 -0.314 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000365602580 420063325 /nfs/dbraw/zinc/06/33/25/420063325.db2.gz OJFKTDSCWHXOKS-IHRRRGAJSA-N 2 1 297.399 -0.314 20 0 CBADMP C[NH+]1CCC(CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000652891352 420095195 /nfs/dbraw/zinc/09/51/95/420095195.db2.gz KOYVJACBHOMDEC-CQSZACIVSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC(CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000652891352 420095201 /nfs/dbraw/zinc/09/52/01/420095201.db2.gz KOYVJACBHOMDEC-CQSZACIVSA-N 2 1 281.400 -0.004 20 0 CBADMP CC[C@H](C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000652890500 420097144 /nfs/dbraw/zinc/09/71/44/420097144.db2.gz BSOJYDJHJDSFET-VXGBXAGGSA-N 2 1 255.362 -0.396 20 0 CBADMP CC[C@H](C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000652890500 420097146 /nfs/dbraw/zinc/09/71/46/420097146.db2.gz BSOJYDJHJDSFET-VXGBXAGGSA-N 2 1 255.362 -0.396 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000653047148 420109663 /nfs/dbraw/zinc/10/96/63/420109663.db2.gz HJGQMHSCOSIUIC-SECBINFHSA-N 2 1 292.330 -0.716 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653105490 420115771 /nfs/dbraw/zinc/11/57/71/420115771.db2.gz YEUTXTKKTLCCIO-OBJOEFQTSA-N 2 1 267.373 -0.177 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110425 420116480 /nfs/dbraw/zinc/11/64/80/420116480.db2.gz IJZJZSFNFBWFBL-ABHRYQDASA-N 2 1 279.384 -0.035 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000653112612 420116582 /nfs/dbraw/zinc/11/65/82/420116582.db2.gz DEDAAPZDFMJJSX-CMPLNLGQSA-N 2 1 254.378 -0.382 20 0 CBADMP O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000367832909 420116994 /nfs/dbraw/zinc/11/69/94/420116994.db2.gz RUBRBEWNCBJCFC-GJZGRUSLSA-N 2 1 289.379 -0.043 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653105146 420117461 /nfs/dbraw/zinc/11/74/61/420117461.db2.gz HSVWKIDIQVPUAN-RYUDHWBXSA-N 2 1 256.394 -0.134 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC([NH+](C)C)C2)C1 ZINC000367920460 420118745 /nfs/dbraw/zinc/11/87/45/420118745.db2.gz IJNILDLJQOHTCR-LBPRGKRZSA-N 2 1 255.362 -0.132 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653122253 420119348 /nfs/dbraw/zinc/11/93/48/420119348.db2.gz RKGZKOFWNKHRGY-OBJOEFQTSA-N 2 1 267.373 -0.320 20 0 CBADMP CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000653117132 420119675 /nfs/dbraw/zinc/11/96/75/420119675.db2.gz AMXHAPOYZXQDAN-STQMWFEESA-N 2 1 268.405 -0.040 20 0 CBADMP C[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[N@@H+](C)C1CC1 ZINC000653116412 420120484 /nfs/dbraw/zinc/12/04/84/420120484.db2.gz GEMYUYRSGYQNOZ-SUNKGSAMSA-N 2 1 267.373 -0.179 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@H+]1C ZINC000653119804 420120591 /nfs/dbraw/zinc/12/05/91/420120591.db2.gz WWNLOMZPAOWVRQ-MNXVOIDGSA-N 2 1 267.373 -0.179 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000653176029 420126415 /nfs/dbraw/zinc/12/64/15/420126415.db2.gz ILCWEGORRSPORK-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP Cn1cc([C@@H]2CN(C(=O)CC(F)(F)C[NH3+])C[C@H]2[NH3+])cn1 ZINC000653166380 420126959 /nfs/dbraw/zinc/12/69/59/420126959.db2.gz FNFXQCZCRROPQR-VHSXEESVSA-N 2 1 287.314 -0.343 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@H]2CO)C1=O ZINC000653285637 420138009 /nfs/dbraw/zinc/13/80/09/420138009.db2.gz UKXLBMGKOCBUSV-WDEREUQCSA-N 2 1 269.345 -0.868 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000652696703 420073986 /nfs/dbraw/zinc/07/39/86/420073986.db2.gz PEJBHCDWHJMNIX-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000652706134 420075275 /nfs/dbraw/zinc/07/52/75/420075275.db2.gz VWTOTFPBXXRFTG-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1=O ZINC000652733692 420078820 /nfs/dbraw/zinc/07/88/20/420078820.db2.gz NVECRENPFHULOK-LBPRGKRZSA-N 2 1 282.388 -0.830 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888352 420092151 /nfs/dbraw/zinc/09/21/51/420092151.db2.gz DLFGXHAPFKXFPK-GFCCVEGCSA-N 2 1 255.362 -0.394 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888352 420092157 /nfs/dbraw/zinc/09/21/57/420092157.db2.gz DLFGXHAPFKXFPK-GFCCVEGCSA-N 2 1 255.362 -0.394 20 0 CBADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H](C)[NH3+])CC2)C1 ZINC000370780614 420187981 /nfs/dbraw/zinc/18/79/81/420187981.db2.gz UMVTYAHHNBBZAG-QWHCGFSZSA-N 2 1 284.404 -0.802 20 0 CBADMP CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H](C)[NH3+])CC2)C1 ZINC000370780614 420187983 /nfs/dbraw/zinc/18/79/83/420187983.db2.gz UMVTYAHHNBBZAG-QWHCGFSZSA-N 2 1 284.404 -0.802 20 0 CBADMP C[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000672961784 544864577 /nfs/dbraw/zinc/86/45/77/544864577.db2.gz NWKUEIQEERBWIF-TUAOUCFPSA-N 2 1 272.393 -0.045 20 0 CBADMP C[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000672961784 544864581 /nfs/dbraw/zinc/86/45/81/544864581.db2.gz NWKUEIQEERBWIF-TUAOUCFPSA-N 2 1 272.393 -0.045 20 0 CBADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCOCC1 ZINC000382231621 420199912 /nfs/dbraw/zinc/19/99/12/420199912.db2.gz UXNWQJNZQOKNAO-BETUJISGSA-N 2 1 267.373 -0.223 20 0 CBADMP CC[C@](C)([NH3+])c1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000384192971 420200950 /nfs/dbraw/zinc/20/09/50/420200950.db2.gz WMRKAGGDNPGJHG-ZDUSSCGKSA-N 2 1 280.376 -0.364 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000388501591 420205267 /nfs/dbraw/zinc/20/52/67/420205267.db2.gz HJSNPUOXEOKBIH-VXGBXAGGSA-N 2 1 291.417 -0.669 20 0 CBADMP C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+]1CC(C)C1 ZINC000655000317 420208084 /nfs/dbraw/zinc/20/80/84/420208084.db2.gz DGVGCVJQQGCTTP-WCQYABFASA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+]1CC(C)C1 ZINC000655000317 420208090 /nfs/dbraw/zinc/20/80/90/420208090.db2.gz DGVGCVJQQGCTTP-WCQYABFASA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@H](NC(=O)[C@@H]1COCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396463652 420211918 /nfs/dbraw/zinc/21/19/18/420211918.db2.gz NXZRNNOVTFPCEY-JQWIXIFHSA-N 2 1 255.362 -0.179 20 0 CBADMP CN(C)c1nc(NC[C@H]2C[NH2+]CCN2C)cc[nH+]1 ZINC000394866319 420213454 /nfs/dbraw/zinc/21/34/54/420213454.db2.gz PJNXDESPTQRUPN-SNVBAGLBSA-N 2 1 250.350 -0.142 20 0 CBADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000397377726 420214581 /nfs/dbraw/zinc/21/45/81/420214581.db2.gz JDBYACBHKJIUNH-OPRDCNLKSA-N 2 1 256.350 -0.123 20 0 CBADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)NC(N)=O)C[C@@H]1C[NH3+] ZINC000397377720 420214832 /nfs/dbraw/zinc/21/48/32/420214832.db2.gz JDBYACBHKJIUNH-BBBLOLIVSA-N 2 1 256.350 -0.123 20 0 CBADMP [NH2+]=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCOCC1 ZINC000369018278 420150013 /nfs/dbraw/zinc/15/00/13/420150013.db2.gz WXFRUCXNSUGBBS-NEPJUHHUSA-N 2 1 268.361 -0.294 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CC(N)=O)C1 ZINC000653563594 420150412 /nfs/dbraw/zinc/15/04/12/420150412.db2.gz UQAZWESICTYGRR-NWDGAFQWSA-N 2 1 257.378 -0.114 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000653563594 420150420 /nfs/dbraw/zinc/15/04/20/420150420.db2.gz UQAZWESICTYGRR-NWDGAFQWSA-N 2 1 257.378 -0.114 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000653563594 420150426 /nfs/dbraw/zinc/15/04/26/420150426.db2.gz UQAZWESICTYGRR-NWDGAFQWSA-N 2 1 257.378 -0.114 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCN([C@@H]2CCOC2)CC1 ZINC000653589301 420151406 /nfs/dbraw/zinc/15/14/06/420151406.db2.gz GGUALEKFMICOBY-KGLIPLIRSA-N 2 1 271.405 -0.295 20 0 CBADMP CC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000653589301 420151411 /nfs/dbraw/zinc/15/14/11/420151411.db2.gz GGUALEKFMICOBY-KGLIPLIRSA-N 2 1 271.405 -0.295 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000653589301 420151415 /nfs/dbraw/zinc/15/14/15/420151415.db2.gz GGUALEKFMICOBY-KGLIPLIRSA-N 2 1 271.405 -0.295 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000653694688 420156986 /nfs/dbraw/zinc/15/69/86/420156986.db2.gz NNWWWLNOGWDWPZ-RDBSUJKOSA-N 2 1 271.405 -0.439 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000653694688 420156987 /nfs/dbraw/zinc/15/69/87/420156987.db2.gz NNWWWLNOGWDWPZ-RDBSUJKOSA-N 2 1 271.405 -0.439 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000653694688 420156989 /nfs/dbraw/zinc/15/69/89/420156989.db2.gz NNWWWLNOGWDWPZ-RDBSUJKOSA-N 2 1 271.405 -0.439 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694621 420157837 /nfs/dbraw/zinc/15/78/37/420157837.db2.gz LGVDHZSJWUUESA-NDBYEHHHSA-N 2 1 258.362 -0.904 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](CO)(COC)C1 ZINC000653755100 420160501 /nfs/dbraw/zinc/16/05/01/420160501.db2.gz CHYDATRNBMTGDL-OLZOCXBDSA-N 2 1 260.378 -0.370 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](CO)(COC)C1 ZINC000653755100 420160507 /nfs/dbraw/zinc/16/05/07/420160507.db2.gz CHYDATRNBMTGDL-OLZOCXBDSA-N 2 1 260.378 -0.370 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](CO)(COC)C1 ZINC000653755100 420160510 /nfs/dbraw/zinc/16/05/10/420160510.db2.gz CHYDATRNBMTGDL-OLZOCXBDSA-N 2 1 260.378 -0.370 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](CO)(COC)C1 ZINC000653755100 420160513 /nfs/dbraw/zinc/16/05/13/420160513.db2.gz CHYDATRNBMTGDL-OLZOCXBDSA-N 2 1 260.378 -0.370 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653778276 420162444 /nfs/dbraw/zinc/16/24/44/420162444.db2.gz PQHCHKLHKAHSLL-ZDUSSCGKSA-N 2 1 286.420 -0.995 20 0 CBADMP CCN1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000369688771 420164323 /nfs/dbraw/zinc/16/43/23/420164323.db2.gz CRQBFZXYDYWPSK-LBPRGKRZSA-N 2 1 255.362 -0.129 20 0 CBADMP C[C@@H](O)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000653902225 420171424 /nfs/dbraw/zinc/17/14/24/420171424.db2.gz NROSPWSYIFZDSA-GFCCVEGCSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](O)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000653902225 420171432 /nfs/dbraw/zinc/17/14/32/420171432.db2.gz NROSPWSYIFZDSA-GFCCVEGCSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C[NH3+] ZINC000397248494 420216269 /nfs/dbraw/zinc/21/62/69/420216269.db2.gz BSECIBNWLWCBTO-IJLUTSLNSA-N 2 1 294.399 -0.111 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000405273576 420227198 /nfs/dbraw/zinc/22/71/98/420227198.db2.gz WAAFUINGBCNGQC-MJBXVCDLSA-N 2 1 269.389 -0.808 20 0 CBADMP C[NH+](C[C@H](O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000405273576 420227201 /nfs/dbraw/zinc/22/72/01/420227201.db2.gz WAAFUINGBCNGQC-MJBXVCDLSA-N 2 1 269.389 -0.808 20 0 CBADMP C[NH+](C[C@H](O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000405273576 420227203 /nfs/dbraw/zinc/22/72/03/420227203.db2.gz WAAFUINGBCNGQC-MJBXVCDLSA-N 2 1 269.389 -0.808 20 0 CBADMP O[C@@H](Cn1cc([C@H]2CCC[NH2+]C2)nn1)C[NH+]1CCOCC1 ZINC000405092973 420227351 /nfs/dbraw/zinc/22/73/51/420227351.db2.gz QUAJFRZMLUXTQF-QWHCGFSZSA-N 2 1 295.387 -0.562 20 0 CBADMP O[C@H](Cn1cc([C@H]2CCC[NH2+]C2)nn1)C[NH+]1CCOCC1 ZINC000405092974 420227360 /nfs/dbraw/zinc/22/73/60/420227360.db2.gz QUAJFRZMLUXTQF-STQMWFEESA-N 2 1 295.387 -0.562 20 0 CBADMP CC1CC[NH+](CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000655296142 420237005 /nfs/dbraw/zinc/23/70/05/420237005.db2.gz IPDDMLMLTHEMDW-UONOGXRCSA-N 2 1 281.400 -0.004 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655294014 420238588 /nfs/dbraw/zinc/23/85/88/420238588.db2.gz HKWIUHCQBXDHPH-NWDGAFQWSA-N 2 1 264.329 -0.531 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655294014 420238591 /nfs/dbraw/zinc/23/85/91/420238591.db2.gz HKWIUHCQBXDHPH-NWDGAFQWSA-N 2 1 264.329 -0.531 20 0 CBADMP CCC[C@@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C ZINC000655297425 420239895 /nfs/dbraw/zinc/23/98/95/420239895.db2.gz ZAIIJCWIZOYRIK-XQQFMLRXSA-N 2 1 269.389 -0.006 20 0 CBADMP CC[NH2+]CCNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000418321075 420242125 /nfs/dbraw/zinc/24/21/25/420242125.db2.gz XRVGVBHHNHCTFK-GFCCVEGCSA-N 2 1 272.393 -0.258 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419698027 420245155 /nfs/dbraw/zinc/24/51/55/420245155.db2.gz RRLPHQXQEUBVCM-WDEREUQCSA-N 2 1 282.388 -0.417 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000419221647 420245378 /nfs/dbraw/zinc/24/53/78/420245378.db2.gz JVYCVKLZSKLIKX-UHFFFAOYSA-N 2 1 282.388 -0.568 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419863001 420245837 /nfs/dbraw/zinc/24/58/37/420245837.db2.gz DKQFJGKVXBEIEF-RWMBFGLXSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419846165 420246077 /nfs/dbraw/zinc/24/60/77/420246077.db2.gz RGSBQXHZLDOJKL-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000420006607 420247079 /nfs/dbraw/zinc/24/70/79/420247079.db2.gz ZJEKVABRNHEQFU-QWHCGFSZSA-N 2 1 298.431 -0.116 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000420006607 420247080 /nfs/dbraw/zinc/24/70/80/420247080.db2.gz ZJEKVABRNHEQFU-QWHCGFSZSA-N 2 1 298.431 -0.116 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000420015881 420247972 /nfs/dbraw/zinc/24/79/72/420247972.db2.gz MMXCRGNIWGXGCS-RYUDHWBXSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000419883358 420248135 /nfs/dbraw/zinc/24/81/35/420248135.db2.gz DDLBWARBVRGNGY-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000422976251 420255364 /nfs/dbraw/zinc/25/53/64/420255364.db2.gz UTNHDIFHVZDZES-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH2+]C)C[C@@H]1C ZINC000423386596 420256047 /nfs/dbraw/zinc/25/60/47/420256047.db2.gz LZIBZXMJFOJCJM-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH2+]C)C[C@@H]1C ZINC000423386596 420256055 /nfs/dbraw/zinc/25/60/55/420256055.db2.gz LZIBZXMJFOJCJM-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000423706467 420257428 /nfs/dbraw/zinc/25/74/28/420257428.db2.gz JKCBXWKOBCPASC-UHFFFAOYSA-N 2 1 270.377 -0.783 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423611569 420257660 /nfs/dbraw/zinc/25/76/60/420257660.db2.gz SDDUGQBZQNLSNB-FRRDWIJNSA-N 2 1 267.373 -0.227 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423611569 420257663 /nfs/dbraw/zinc/25/76/63/420257663.db2.gz SDDUGQBZQNLSNB-FRRDWIJNSA-N 2 1 267.373 -0.227 20 0 CBADMP CC(C)NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430607149 420271842 /nfs/dbraw/zinc/27/18/42/420271842.db2.gz XKYYCPNFKMUAEL-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP COCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430604983 420271973 /nfs/dbraw/zinc/27/19/73/420271973.db2.gz RVVPSVTURUPGDU-GFCCVEGCSA-N 2 1 255.362 -0.223 20 0 CBADMP CC(C)N1CC[C@H]([N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430629330 420272528 /nfs/dbraw/zinc/27/25/28/420272528.db2.gz PWYKYFVINSOGLA-OLZOCXBDSA-N 2 1 296.415 -0.217 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430901673 420272984 /nfs/dbraw/zinc/27/29/84/420272984.db2.gz VXDJXGBUGGQLBO-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655914609 420275476 /nfs/dbraw/zinc/27/54/76/420275476.db2.gz GSPLQAQGESRYSC-SECBINFHSA-N 2 1 298.309 -0.150 20 0 CBADMP C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000655919858 420278999 /nfs/dbraw/zinc/27/89/99/420278999.db2.gz GBXWMLYPVMMNBB-YIZRAAEISA-N 2 1 298.309 -0.106 20 0 CBADMP C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000655919858 420279003 /nfs/dbraw/zinc/27/90/03/420279003.db2.gz GBXWMLYPVMMNBB-YIZRAAEISA-N 2 1 298.309 -0.106 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655932242 420280311 /nfs/dbraw/zinc/28/03/11/420280311.db2.gz UDNZWQCJSIRSIO-DTWKUNHWSA-N 2 1 298.309 -0.416 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655932242 420280316 /nfs/dbraw/zinc/28/03/16/420280316.db2.gz UDNZWQCJSIRSIO-DTWKUNHWSA-N 2 1 298.309 -0.416 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963021 420282118 /nfs/dbraw/zinc/28/21/18/420282118.db2.gz FFXRFKYZWZQNCA-TUAOUCFPSA-N 2 1 270.377 -0.570 20 0 CBADMP C[NH2+]CCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655960915 420282899 /nfs/dbraw/zinc/28/28/99/420282899.db2.gz CZYWAZSRMSVYIN-WDEREUQCSA-N 2 1 256.350 -0.944 20 0 CBADMP C[C@H](O)C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000655948950 420283161 /nfs/dbraw/zinc/28/31/61/420283161.db2.gz IXYKFUVEOKMWLH-NSHDSACASA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H](O)C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000655948949 420283235 /nfs/dbraw/zinc/28/32/35/420283235.db2.gz IXYKFUVEOKMWLH-LLVKDONJSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655970712 420283988 /nfs/dbraw/zinc/28/39/88/420283988.db2.gz XABCYBOPSRSMNE-NOOOWODRSA-N 2 1 270.377 -0.427 20 0 CBADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655970714 420284120 /nfs/dbraw/zinc/28/41/20/420284120.db2.gz XABCYBOPSRSMNE-WISYIIOYSA-N 2 1 270.377 -0.427 20 0 CBADMP [NH3+]C[C@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000655964526 420284642 /nfs/dbraw/zinc/28/46/42/420284642.db2.gz WVRCQXHDZSXRIK-TUAOUCFPSA-N 2 1 268.361 -0.816 20 0 CBADMP O=C(N[C@@H]1CCC[NH2+]CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655966216 420285185 /nfs/dbraw/zinc/28/51/85/420285185.db2.gz QIQSWOYEJFJERV-FRRDWIJNSA-N 2 1 282.388 -0.411 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](Cn2cc(C[C@@H]([NH3+])CO)nn2)C1 ZINC000656448993 420309996 /nfs/dbraw/zinc/30/99/96/420309996.db2.gz TTWFBIOJIUWNQI-OCCSQVGLSA-N 2 1 297.403 -0.503 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+](C)CC2=CCCOC2)C1=O ZINC000656477500 420310993 /nfs/dbraw/zinc/31/09/93/420310993.db2.gz IAOIPMBNBGNESH-CYBMUJFWSA-N 2 1 295.383 -0.046 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+](C)CC2=CCCOC2)C1=O ZINC000656477500 420310999 /nfs/dbraw/zinc/31/09/99/420310999.db2.gz IAOIPMBNBGNESH-CYBMUJFWSA-N 2 1 295.383 -0.046 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+](C)C[C@H]2COCCO2)C1=O ZINC000656480208 420311082 /nfs/dbraw/zinc/31/10/82/420311082.db2.gz YCAHVYABUNSVEV-RYUDHWBXSA-N 2 1 299.371 -0.977 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+](C)C[C@H]2COCCO2)C1=O ZINC000656480208 420311086 /nfs/dbraw/zinc/31/10/86/420311086.db2.gz YCAHVYABUNSVEV-RYUDHWBXSA-N 2 1 299.371 -0.977 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2C[C@H]3COC[C@]3(C)C2)C1=O ZINC000656477938 420311603 /nfs/dbraw/zinc/31/16/03/420311603.db2.gz ODRYBYAFCNFPMM-HUBLWGQQSA-N 2 1 295.383 -0.356 20 0 CBADMP CCOC(=O)CCCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000516785204 420363016 /nfs/dbraw/zinc/36/30/16/420363016.db2.gz HDPWYAJKIJYPOU-NEPJUHHUSA-N 2 1 283.372 -0.036 20 0 CBADMP CN1CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCC1=O ZINC000656790774 420322354 /nfs/dbraw/zinc/32/23/54/420322354.db2.gz AELMQZWUFPPSFT-GFCCVEGCSA-N 2 1 282.388 -0.652 20 0 CBADMP C[C@H](Cn1cncn1)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000657873045 420364166 /nfs/dbraw/zinc/36/41/66/420364166.db2.gz QXLANAYGROFRPD-OLZOCXBDSA-N 2 1 294.403 -0.156 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000673531290 544878721 /nfs/dbraw/zinc/87/87/21/544878721.db2.gz LJNJZBDPOLEJLD-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[C@@H]1CN(C[C@@](C)(O)C[NH2+]C)CC[N@H+]1CCOC ZINC000517034839 420369835 /nfs/dbraw/zinc/36/98/35/420369835.db2.gz ABNLJXLBERWQRO-KGLIPLIRSA-N 2 1 273.421 -0.001 20 0 CBADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000517167963 420372101 /nfs/dbraw/zinc/37/21/01/420372101.db2.gz DFGGHYZRNYGUDT-NWDGAFQWSA-N 2 1 283.372 -0.166 20 0 CBADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000517167963 420372105 /nfs/dbraw/zinc/37/21/05/420372105.db2.gz DFGGHYZRNYGUDT-NWDGAFQWSA-N 2 1 283.372 -0.166 20 0 CBADMP C[C@@H](CNC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000519387565 420381615 /nfs/dbraw/zinc/38/16/15/420381615.db2.gz LMKXLTWVFVUWFN-IGQOVBAYSA-N 2 1 273.421 -0.004 20 0 CBADMP C[C@@H](CNC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000519387565 420381618 /nfs/dbraw/zinc/38/16/18/420381618.db2.gz LMKXLTWVFVUWFN-IGQOVBAYSA-N 2 1 273.421 -0.004 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CC(F)(F)C[NH3+] ZINC000519651318 420385712 /nfs/dbraw/zinc/38/57/12/420385712.db2.gz JHWLBJYHPZVTEB-SECBINFHSA-N 2 1 292.330 -0.574 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CC(F)(F)C[NH3+] ZINC000519651318 420385715 /nfs/dbraw/zinc/38/57/15/420385715.db2.gz JHWLBJYHPZVTEB-SECBINFHSA-N 2 1 292.330 -0.574 20 0 CBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000519708713 420385959 /nfs/dbraw/zinc/38/59/59/420385959.db2.gz QQTQMZZVKDSGJV-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)[NH+](C)C ZINC000674263171 544900372 /nfs/dbraw/zinc/90/03/72/544900372.db2.gz BFQWHVBJIMVIBT-AAEUAGOBSA-N 2 1 296.415 -0.123 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000516865284 420365568 /nfs/dbraw/zinc/36/55/68/420365568.db2.gz YNSCCOZLNBLEFH-VXGBXAGGSA-N 2 1 292.387 -0.194 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000516865284 420365572 /nfs/dbraw/zinc/36/55/72/420365572.db2.gz YNSCCOZLNBLEFH-VXGBXAGGSA-N 2 1 292.387 -0.194 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000516865282 420365597 /nfs/dbraw/zinc/36/55/97/420365597.db2.gz YNSCCOZLNBLEFH-NWDGAFQWSA-N 2 1 292.387 -0.194 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000516865282 420365601 /nfs/dbraw/zinc/36/56/01/420365601.db2.gz YNSCCOZLNBLEFH-NWDGAFQWSA-N 2 1 292.387 -0.194 20 0 CBADMP CC[N@@H+]1CC[C@H](CNC(=O)CN2CC[NH+](C)CC2)C1 ZINC000673645175 544881927 /nfs/dbraw/zinc/88/19/27/544881927.db2.gz WKWFCQKKMXKIJI-CYBMUJFWSA-N 2 1 268.405 -0.308 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)CN2CC[NH+](C)CC2)C1 ZINC000673645175 544881933 /nfs/dbraw/zinc/88/19/33/544881933.db2.gz WKWFCQKKMXKIJI-CYBMUJFWSA-N 2 1 268.405 -0.308 20 0 CBADMP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000673660533 544883113 /nfs/dbraw/zinc/88/31/13/544883113.db2.gz ASPUNBNTOLYJJT-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1C[N@H+](C)CCN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000516865283 420366738 /nfs/dbraw/zinc/36/67/38/420366738.db2.gz YNSCCOZLNBLEFH-RYUDHWBXSA-N 2 1 292.387 -0.194 20 0 CBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000516865283 420366742 /nfs/dbraw/zinc/36/67/42/420366742.db2.gz YNSCCOZLNBLEFH-RYUDHWBXSA-N 2 1 292.387 -0.194 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC000676341412 544948886 /nfs/dbraw/zinc/94/88/86/544948886.db2.gz RLCQJHCUWQOQQM-CHWSQXEVSA-N 2 1 267.373 -0.129 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCN([C@H]3CCOC3)CC2)C1 ZINC000676341415 544948896 /nfs/dbraw/zinc/94/88/96/544948896.db2.gz RLCQJHCUWQOQQM-OLZOCXBDSA-N 2 1 267.373 -0.129 20 0 CBADMP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000659452506 420420276 /nfs/dbraw/zinc/42/02/76/420420276.db2.gz CLJKMOCHCOBJBB-CHWSQXEVSA-N 2 1 285.436 -0.095 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000659457756 420421860 /nfs/dbraw/zinc/42/18/60/420421860.db2.gz KHKHCIOKDZYJOP-CYBMUJFWSA-N 2 1 285.436 -0.079 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000659471328 420422238 /nfs/dbraw/zinc/42/22/38/420422238.db2.gz SVGJRFGYNJTKLM-HBNTYKKESA-N 2 1 258.366 -0.387 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000659471328 420422240 /nfs/dbraw/zinc/42/22/40/420422240.db2.gz SVGJRFGYNJTKLM-HBNTYKKESA-N 2 1 258.366 -0.387 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC1([NH3+])CCCC1 ZINC000659576540 420434789 /nfs/dbraw/zinc/43/47/89/420434789.db2.gz DACMFPAZPZEOSE-GFCCVEGCSA-N 2 1 284.404 -0.034 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC1([NH3+])CCCC1 ZINC000659576540 420434792 /nfs/dbraw/zinc/43/47/92/420434792.db2.gz DACMFPAZPZEOSE-GFCCVEGCSA-N 2 1 284.404 -0.034 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)NCC12CC(C1)C[NH2+]2 ZINC000659495496 420424511 /nfs/dbraw/zinc/42/45/11/420424511.db2.gz AGOOFFLOQGNNGU-UHFFFAOYSA-N 2 1 282.388 -0.240 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659755707 420468927 /nfs/dbraw/zinc/46/89/27/420468927.db2.gz ZFNRNOQVQUBCHT-CMPLNLGQSA-N 2 1 282.388 -0.594 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)CCCC(N)=O)C2)CC1 ZINC000683851594 545067653 /nfs/dbraw/zinc/06/76/53/545067653.db2.gz YMJGLHVWHQBSGI-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)CCCC(N)=O)C2)CC1 ZINC000683851594 545067654 /nfs/dbraw/zinc/06/76/54/545067654.db2.gz YMJGLHVWHQBSGI-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000659756855 420469370 /nfs/dbraw/zinc/46/93/70/420469370.db2.gz VPQPOTNXTZZUCY-NWDGAFQWSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000659756855 420469373 /nfs/dbraw/zinc/46/93/73/420469373.db2.gz VPQPOTNXTZZUCY-NWDGAFQWSA-N 2 1 284.404 -0.491 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659608451 420437642 /nfs/dbraw/zinc/43/76/42/420437642.db2.gz DDKPIUVIICQNFF-NEPJUHHUSA-N 2 1 270.377 -0.160 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000659635319 420440605 /nfs/dbraw/zinc/44/06/05/420440605.db2.gz OPPCHLLJWCUXBT-MNOVXSKESA-N 2 1 258.366 -0.698 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000659636182 420441357 /nfs/dbraw/zinc/44/13/57/420441357.db2.gz NHRFQCRIWUVWSN-GARJFASQSA-N 2 1 256.350 -0.945 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000659637242 420442260 /nfs/dbraw/zinc/44/22/60/420442260.db2.gz BVGQFWGFTJMXPY-NWDGAFQWSA-N 2 1 297.403 -0.800 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000659673165 420446537 /nfs/dbraw/zinc/44/65/37/420446537.db2.gz HSSBGZUUSYDBMP-MNOVXSKESA-N 2 1 296.371 -0.277 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000659680356 420447383 /nfs/dbraw/zinc/44/73/83/420447383.db2.gz WMLKNVUGIFISEO-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000659681260 420447529 /nfs/dbraw/zinc/44/75/29/420447529.db2.gz SCRZXPOPZZNZOZ-FRRDWIJNSA-N 2 1 298.431 -0.053 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000659681258 420447812 /nfs/dbraw/zinc/44/78/12/420447812.db2.gz SCRZXPOPZZNZOZ-AVGNSLFASA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000659677664 420447939 /nfs/dbraw/zinc/44/79/39/420447939.db2.gz GUQKGFMDOPWMGG-MNOVXSKESA-N 2 1 284.404 -0.219 20 0 CBADMP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000659686532 420449036 /nfs/dbraw/zinc/44/90/36/420449036.db2.gz FHSLYVMRVHIYDK-VTWZXRTESA-N 2 1 292.383 -0.793 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000659687104 420449211 /nfs/dbraw/zinc/44/92/11/420449211.db2.gz QOSUJDQDVBREHA-ZJUUUORDSA-N 2 1 268.361 -0.937 20 0 CBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000659687330 420449288 /nfs/dbraw/zinc/44/92/88/420449288.db2.gz TZDZCSICFNCONW-WCQYABFASA-N 2 1 296.415 -0.171 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659693041 420450295 /nfs/dbraw/zinc/45/02/95/420450295.db2.gz ZFVXGVFRYAYRRK-UHFFFAOYSA-N 2 1 296.415 -0.297 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000659696819 420450774 /nfs/dbraw/zinc/45/07/74/420450774.db2.gz NVQANZUXZYMQKH-NSHDSACASA-N 2 1 295.387 -0.188 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000659695123 420451172 /nfs/dbraw/zinc/45/11/72/420451172.db2.gz RVEOMIQFMWFZHS-SCVCMEIPSA-N 2 1 282.388 -0.691 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000659699526 420451626 /nfs/dbraw/zinc/45/16/26/420451626.db2.gz WIXCFAMYRQQDGV-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)C1CC1 ZINC000659699437 420451865 /nfs/dbraw/zinc/45/18/65/420451865.db2.gz QBXSASROUHUPMN-UHFFFAOYSA-N 2 1 294.399 -0.463 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000659702558 420452732 /nfs/dbraw/zinc/45/27/32/420452732.db2.gz PVFYUKSFLNTGCR-VHSXEESVSA-N 2 1 270.377 -0.691 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000659702012 420452849 /nfs/dbraw/zinc/45/28/49/420452849.db2.gz KVNHUGUWGXTXTJ-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659703299 420452916 /nfs/dbraw/zinc/45/29/16/420452916.db2.gz YEAMTFHOYXOERZ-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000659705147 420452943 /nfs/dbraw/zinc/45/29/43/420452943.db2.gz VGDCRDCYCUJEOD-WDEREUQCSA-N 2 1 282.388 -0.689 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000659704340 420452949 /nfs/dbraw/zinc/45/29/49/420452949.db2.gz KJLDWITVKLBMDW-JQWIXIFHSA-N 2 1 282.388 -0.689 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000659704285 420453440 /nfs/dbraw/zinc/45/34/40/420453440.db2.gz JLKYTLMOZMPOJB-LBPRGKRZSA-N 2 1 282.388 -0.606 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000659708814 420453784 /nfs/dbraw/zinc/45/37/84/420453784.db2.gz ABZBRKPVICSRRI-NEPJUHHUSA-N 2 1 296.415 -0.156 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000659709756 420453940 /nfs/dbraw/zinc/45/39/40/420453940.db2.gz LNYISYJTNPKCKK-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH3+])C1 ZINC000659709871 420453973 /nfs/dbraw/zinc/45/39/73/420453973.db2.gz MNXAJLRNNYXRRH-SNVBAGLBSA-N 2 1 270.377 -0.560 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000659708222 420454087 /nfs/dbraw/zinc/45/40/87/420454087.db2.gz PYDWPSJYBLWANE-RYUDHWBXSA-N 2 1 298.431 -0.053 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659708293 420454548 /nfs/dbraw/zinc/45/45/48/420454548.db2.gz PJTYWPHDLOXCSE-LLVKDONJSA-N 2 1 272.393 -0.441 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000659711335 420454912 /nfs/dbraw/zinc/45/49/12/420454912.db2.gz ZQEIFNFGFHFDNQ-TUAOUCFPSA-N 2 1 282.388 -0.547 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000659716108 420457057 /nfs/dbraw/zinc/45/70/57/420457057.db2.gz VLMZGRSTDJJIDS-OLZOCXBDSA-N 2 1 296.415 -0.297 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000659716110 420457066 /nfs/dbraw/zinc/45/70/66/420457066.db2.gz VLMZGRSTDJJIDS-STQMWFEESA-N 2 1 296.415 -0.297 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659716124 420457849 /nfs/dbraw/zinc/45/78/49/420457849.db2.gz WEIXUFZCDUCGMY-WDEREUQCSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659718312 420458185 /nfs/dbraw/zinc/45/81/85/420458185.db2.gz OXYUBMGHTAHWCQ-NXEZZACHSA-N 2 1 270.377 -0.561 20 0 CBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000659721767 420458980 /nfs/dbraw/zinc/45/89/80/420458980.db2.gz HWVTUFWCAUBRLC-VIFPVBQESA-N 2 1 292.330 -0.703 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000659721767 420458981 /nfs/dbraw/zinc/45/89/81/420458981.db2.gz HWVTUFWCAUBRLC-VIFPVBQESA-N 2 1 292.330 -0.703 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000659720868 420459422 /nfs/dbraw/zinc/45/94/22/420459422.db2.gz FXPGMIXGGGQZCY-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000659726286 420459809 /nfs/dbraw/zinc/45/98/09/420459809.db2.gz IXKCTUYCXQEEAO-RWMBFGLXSA-N 2 1 294.399 -0.402 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000659723922 420460145 /nfs/dbraw/zinc/46/01/45/420460145.db2.gz RYJJNEKITQTKAH-CYBMUJFWSA-N 2 1 294.399 -0.377 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000659732239 420461861 /nfs/dbraw/zinc/46/18/61/420461861.db2.gz LJUNWYRFDXEUEU-RWMBFGLXSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659735229 420462464 /nfs/dbraw/zinc/46/24/64/420462464.db2.gz QKCVAXOFWILOJM-LLVKDONJSA-N 2 1 282.388 -0.416 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000659738179 420463314 /nfs/dbraw/zinc/46/33/14/420463314.db2.gz BEEVMHMUEKHYQL-MNOVXSKESA-N 2 1 268.361 -0.854 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000659739302 420464427 /nfs/dbraw/zinc/46/44/27/420464427.db2.gz QLBPHKAIAZTFRO-XQQFMLRXSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000659739506 420464558 /nfs/dbraw/zinc/46/45/58/420464558.db2.gz WLXRDRKWPYYXAF-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000659739250 420464970 /nfs/dbraw/zinc/46/49/70/420464970.db2.gz PCVQOVSXAQZITP-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)C1 ZINC000659739303 420465345 /nfs/dbraw/zinc/46/53/45/420465345.db2.gz QMSGXKYVNMDCIF-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000659750169 420467000 /nfs/dbraw/zinc/46/70/00/420467000.db2.gz MYRPHHTZCWSAFT-GFCCVEGCSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659750078 420467032 /nfs/dbraw/zinc/46/70/32/420467032.db2.gz MKLRGLRVHNAHRO-WDEREUQCSA-N 2 1 270.377 -0.689 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000659749961 420467044 /nfs/dbraw/zinc/46/70/44/420467044.db2.gz KYSDTSYOCSIBQO-TUAOUCFPSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC000659880152 420475588 /nfs/dbraw/zinc/47/55/88/420475588.db2.gz ZJBQYCZMIPWXCJ-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP CC(C)[N@@H+](C)C[C@@H](O)CN[C@@H](CO)c1cnn(C)c1 ZINC000660271661 420488325 /nfs/dbraw/zinc/48/83/25/420488325.db2.gz ZWBMTZJDPGDESN-STQMWFEESA-N 2 1 270.377 -0.256 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000660380981 420489143 /nfs/dbraw/zinc/48/91/43/420489143.db2.gz IWHUWDQZVQQPAO-AGIUHOORSA-N 2 1 262.394 -0.249 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000660380981 420489144 /nfs/dbraw/zinc/48/91/44/420489144.db2.gz IWHUWDQZVQQPAO-AGIUHOORSA-N 2 1 262.394 -0.249 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C[C@H](C)O)[C@H](C)CO ZINC000660380981 420489146 /nfs/dbraw/zinc/48/91/46/420489146.db2.gz IWHUWDQZVQQPAO-AGIUHOORSA-N 2 1 262.394 -0.249 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C[C@H](C)O)[C@H](C)CO ZINC000660380981 420489147 /nfs/dbraw/zinc/48/91/47/420489147.db2.gz IWHUWDQZVQQPAO-AGIUHOORSA-N 2 1 262.394 -0.249 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000660380982 420489175 /nfs/dbraw/zinc/48/91/75/420489175.db2.gz IWHUWDQZVQQPAO-AVGNSLFASA-N 2 1 262.394 -0.249 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000660380982 420489176 /nfs/dbraw/zinc/48/91/76/420489176.db2.gz IWHUWDQZVQQPAO-AVGNSLFASA-N 2 1 262.394 -0.249 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C[C@H](C)O)[C@@H](C)CO ZINC000660380982 420489177 /nfs/dbraw/zinc/48/91/77/420489177.db2.gz IWHUWDQZVQQPAO-AVGNSLFASA-N 2 1 262.394 -0.249 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C[C@H](C)O)[C@@H](C)CO ZINC000660380982 420489179 /nfs/dbraw/zinc/48/91/79/420489179.db2.gz IWHUWDQZVQQPAO-AVGNSLFASA-N 2 1 262.394 -0.249 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](CCO)[C@@H](C)C1 ZINC000660332986 420489560 /nfs/dbraw/zinc/48/95/60/420489560.db2.gz ZCEBSFQWCSGOKD-KBPBESRZSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000660332986 420489562 /nfs/dbraw/zinc/48/95/62/420489562.db2.gz ZCEBSFQWCSGOKD-KBPBESRZSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000660332986 420489563 /nfs/dbraw/zinc/48/95/63/420489563.db2.gz ZCEBSFQWCSGOKD-KBPBESRZSA-N 2 1 273.421 -0.314 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(C(N)=O)C1 ZINC000660460863 420491561 /nfs/dbraw/zinc/49/15/61/420491561.db2.gz JFPIPROIHFLPHV-AAEUAGOBSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000660460863 420491563 /nfs/dbraw/zinc/49/15/63/420491563.db2.gz JFPIPROIHFLPHV-AAEUAGOBSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000660460863 420491565 /nfs/dbraw/zinc/49/15/65/420491565.db2.gz JFPIPROIHFLPHV-AAEUAGOBSA-N 2 1 257.378 -0.115 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)COC1CC[NH2+]CC1 ZINC000517739694 260001178 /nfs/dbraw/zinc/00/11/78/260001178.db2.gz VUFFTAZGPRBTRP-UHFFFAOYSA-N 2 1 251.277 -0.535 20 0 CBADMP CC[NH+]1CCC(C[NH2+]C[C@@H](O)CN2CCN(C)CC2)CC1 ZINC000517922057 260319028 /nfs/dbraw/zinc/31/90/28/260319028.db2.gz DGLHYWIANWXXGG-MRXNPFEDSA-N 2 1 298.475 -0.084 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000518023476 260336037 /nfs/dbraw/zinc/33/60/37/260336037.db2.gz PSOBAPPEJXSPFB-KYOSRNDESA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000518023476 260336038 /nfs/dbraw/zinc/33/60/38/260336038.db2.gz PSOBAPPEJXSPFB-KYOSRNDESA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000518023476 260336039 /nfs/dbraw/zinc/33/60/39/260336039.db2.gz PSOBAPPEJXSPFB-KYOSRNDESA-N 2 1 296.415 -0.165 20 0 CBADMP C[C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](C)CC1 ZINC000519398327 265416895 /nfs/dbraw/zinc/41/68/95/265416895.db2.gz QYLGUFPHFMYWHS-RWMBFGLXSA-N 2 1 266.389 -0.700 20 0 CBADMP COCC[NH2+]CC(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000237208541 269579636 /nfs/dbraw/zinc/57/96/36/269579636.db2.gz IWQFULUVCYWYKH-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP COC(=O)c1cn([C@@H]2CC[N@@H+](CCOCC[NH3+])C2)nn1 ZINC000517236741 269596494 /nfs/dbraw/zinc/59/64/94/269596494.db2.gz NKGVZLGNLPQLGU-SNVBAGLBSA-N 2 1 283.332 -0.713 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529347761 269631969 /nfs/dbraw/zinc/63/19/69/269631969.db2.gz BJKYEPGOMFXHLL-QWHCGFSZSA-N 2 1 296.415 -0.021 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529347761 269631970 /nfs/dbraw/zinc/63/19/70/269631970.db2.gz BJKYEPGOMFXHLL-QWHCGFSZSA-N 2 1 296.415 -0.021 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000370037521 276205269 /nfs/dbraw/zinc/20/52/69/276205269.db2.gz RJOATVBBZBJKOU-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000370037521 276205272 /nfs/dbraw/zinc/20/52/72/276205272.db2.gz RJOATVBBZBJKOU-LLVKDONJSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC[NH3+])C[C@H]1C ZINC000419821686 276244454 /nfs/dbraw/zinc/24/44/54/276244454.db2.gz UPMOXEPCTJECDW-ZJUUUORDSA-N 2 1 256.350 -0.998 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC[NH3+])C[C@H]1C ZINC000419821686 276244456 /nfs/dbraw/zinc/24/44/56/276244456.db2.gz UPMOXEPCTJECDW-ZJUUUORDSA-N 2 1 256.350 -0.998 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000420176767 276268749 /nfs/dbraw/zinc/26/87/49/276268749.db2.gz XOCHEWGVCLPUFH-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000376453085 276391688 /nfs/dbraw/zinc/39/16/88/276391688.db2.gz BNIPBFZJIUYSKI-AVGNSLFASA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000376453085 276391690 /nfs/dbraw/zinc/39/16/90/276391690.db2.gz BNIPBFZJIUYSKI-AVGNSLFASA-N 2 1 267.373 -0.083 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000371490337 277004596 /nfs/dbraw/zinc/00/45/96/277004596.db2.gz DSBUOAWZQJBYHU-NXEZZACHSA-N 2 1 279.344 -0.060 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCC[C@H]2C(N)=O)CC1 ZINC000338303825 277089426 /nfs/dbraw/zinc/08/94/26/277089426.db2.gz OBGKUHHFZZMJLL-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP COCCNC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368917384 277228411 /nfs/dbraw/zinc/22/84/11/277228411.db2.gz CORVPCQVYPRFOA-MNOVXSKESA-N 2 1 256.350 -0.390 20 0 CBADMP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186609791 277248326 /nfs/dbraw/zinc/24/83/26/277248326.db2.gz NZENONRXXLTEEW-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000419973764 277281535 /nfs/dbraw/zinc/28/15/35/277281535.db2.gz IJEFZKQPHHBIAX-NWDGAFQWSA-N 2 1 284.404 -0.489 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000447450899 277328679 /nfs/dbraw/zinc/32/86/79/277328679.db2.gz QWMFQHQIGWBQSD-JTQLQIEISA-N 2 1 269.349 -0.534 20 0 CBADMP CC(C)C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(N)=O ZINC000053298987 277379078 /nfs/dbraw/zinc/37/90/78/277379078.db2.gz XZTJZUHDCUFOAM-UHFFFAOYSA-N 2 1 270.377 -0.748 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430941929 278140051 /nfs/dbraw/zinc/14/00/51/278140051.db2.gz AGTCZLIYQONDSB-NDBYEHHHSA-N 2 1 296.415 -0.232 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430941929 278140054 /nfs/dbraw/zinc/14/00/54/278140054.db2.gz AGTCZLIYQONDSB-NDBYEHHHSA-N 2 1 296.415 -0.232 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[N@@H+](C)C1CC1 ZINC000419590818 278268147 /nfs/dbraw/zinc/26/81/47/278268147.db2.gz QLTOZZWVBUPBAL-MNOVXSKESA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000361293834 278289408 /nfs/dbraw/zinc/28/94/08/278289408.db2.gz AQLJPSWFSMFTMK-IACUBPJLSA-N 2 1 272.389 -0.229 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419898250 278365359 /nfs/dbraw/zinc/36/53/59/278365359.db2.gz WPMIGBPEEAKIKS-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000420137237 279031049 /nfs/dbraw/zinc/03/10/49/279031049.db2.gz DLDVRLDTZNKTGB-AGIUHOORSA-N 2 1 296.415 -0.204 20 0 CBADMP CCN(CC)C(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000043499873 279067090 /nfs/dbraw/zinc/06/70/90/279067090.db2.gz MBCIDVIBKTTZOH-UHFFFAOYSA-N 2 1 256.394 -0.308 20 0 CBADMP CCN(CC)C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000043499873 279067093 /nfs/dbraw/zinc/06/70/93/279067093.db2.gz MBCIDVIBKTTZOH-UHFFFAOYSA-N 2 1 256.394 -0.308 20 0 CBADMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333754584 288108519 /nfs/dbraw/zinc/10/85/19/288108519.db2.gz ZOBHVWQEGKDFPO-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)C1CC1 ZINC000419520650 279190133 /nfs/dbraw/zinc/19/01/33/279190133.db2.gz IGMRRCYGPJRCCI-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261616805 279195601 /nfs/dbraw/zinc/19/56/01/279195601.db2.gz CWCIBUQHNQBEQG-XUJVJEKNSA-N 2 1 296.415 -0.231 20 0 CBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261616805 279195605 /nfs/dbraw/zinc/19/56/05/279195605.db2.gz CWCIBUQHNQBEQG-XUJVJEKNSA-N 2 1 296.415 -0.231 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000332365330 279283123 /nfs/dbraw/zinc/28/31/23/279283123.db2.gz UTOFTTOUECIDAQ-GFCCVEGCSA-N 2 1 282.388 -0.510 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000418495368 279287809 /nfs/dbraw/zinc/28/78/09/279287809.db2.gz UMKFIMOUBAPHFY-VXGBXAGGSA-N 2 1 272.393 -0.273 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000092630012 279299670 /nfs/dbraw/zinc/29/96/70/279299670.db2.gz QBFASUNBUKHKGP-WOPDTQHZSA-N 2 1 255.362 -0.348 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339636193 279306192 /nfs/dbraw/zinc/30/61/92/279306192.db2.gz CGPNHEZAQJMJEI-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419310807 288126329 /nfs/dbraw/zinc/12/63/29/288126329.db2.gz BCXSUIHXDHHMMA-JIMOISOXSA-N 2 1 294.399 -0.561 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000449744945 279384980 /nfs/dbraw/zinc/38/49/80/279384980.db2.gz APSABPAMQXKDDP-GRYCIOLGSA-N 2 1 253.346 -0.473 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000449744945 279384981 /nfs/dbraw/zinc/38/49/81/279384981.db2.gz APSABPAMQXKDDP-GRYCIOLGSA-N 2 1 253.346 -0.473 20 0 CBADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)CC[NH2+]C)CC2)C1 ZINC000367645316 279392950 /nfs/dbraw/zinc/39/29/50/279392950.db2.gz YMHLYRIGMBAMFL-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP CC[N@H+]1CCO[C@H](CN2CCN(C(=O)CC[NH2+]C)CC2)C1 ZINC000367645316 279392953 /nfs/dbraw/zinc/39/29/53/279392953.db2.gz YMHLYRIGMBAMFL-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)CCO1 ZINC000431032345 288133654 /nfs/dbraw/zinc/13/36/54/288133654.db2.gz BLOBDRJHJIVLTN-TZMCWYRMSA-N 2 1 297.399 -0.314 20 0 CBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000418375719 288146264 /nfs/dbraw/zinc/14/62/64/288146264.db2.gz HXSQSXIBIYTZHY-NEPJUHHUSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000357930625 288159391 /nfs/dbraw/zinc/15/93/91/288159391.db2.gz OSAURQQLFGKNPN-CRWXNKLISA-N 2 1 299.415 -0.285 20 0 CBADMP C[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)CC[C@@H]1[NH3+] ZINC000094342308 288168220 /nfs/dbraw/zinc/16/82/20/288168220.db2.gz LZMQEZDKHORCMI-ZJUUUORDSA-N 2 1 268.361 -0.014 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)CC[C@@H]1[NH3+] ZINC000094342308 288168221 /nfs/dbraw/zinc/16/82/21/288168221.db2.gz LZMQEZDKHORCMI-ZJUUUORDSA-N 2 1 268.361 -0.014 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494895929 280057529 /nfs/dbraw/zinc/05/75/29/280057529.db2.gz FDIYSBGURHUQRS-WYUUTHIRSA-N 2 1 253.346 -0.426 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370771800 280104350 /nfs/dbraw/zinc/10/43/50/280104350.db2.gz IDQQCUMGICUNAB-FQUUOJAGSA-N 2 1 279.384 -0.083 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)CCC[N@H+]1C ZINC000343294742 280116631 /nfs/dbraw/zinc/11/66/31/280116631.db2.gz JOSFMTYKMVODLU-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)CCC[NH+]1C ZINC000343294742 280116635 /nfs/dbraw/zinc/11/66/35/280116635.db2.gz JOSFMTYKMVODLU-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CCC[NH+]1C ZINC000343294742 280116637 /nfs/dbraw/zinc/11/66/37/280116637.db2.gz JOSFMTYKMVODLU-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418739577 280165081 /nfs/dbraw/zinc/16/50/81/280165081.db2.gz YVKHRASHYCCQIO-NEPJUHHUSA-N 2 1 272.393 -0.130 20 0 CBADMP CC(C)[C@H](CNC(=O)NCC[NH3+])[NH+]1CCOCC1 ZINC000416934720 280246353 /nfs/dbraw/zinc/24/63/53/280246353.db2.gz FBDDHEPRHVEALT-NSHDSACASA-N 2 1 258.366 -0.399 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423839281 280273283 /nfs/dbraw/zinc/27/32/83/280273283.db2.gz CYORCKPIBCVVAL-ZDUSSCGKSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000262367724 280351605 /nfs/dbraw/zinc/35/16/05/280351605.db2.gz LGQXAQBOIDTFTO-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[N@H+]1C[C@H](C)O ZINC000430696185 280351664 /nfs/dbraw/zinc/35/16/64/280351664.db2.gz IUNGYQVFXQQRRO-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@H]1CN(C(=O)COC2C[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000430743301 281132896 /nfs/dbraw/zinc/13/28/96/281132896.db2.gz QWQGZZQIALWVCM-RYUDHWBXSA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@H+]1CCOC ZINC000424142023 281141967 /nfs/dbraw/zinc/14/19/67/281141967.db2.gz HRARUIYNDYWXHZ-TUAOUCFPSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000332234104 288306777 /nfs/dbraw/zinc/30/67/77/288306777.db2.gz NAOXMLQFHYXYFQ-WOPDTQHZSA-N 2 1 280.372 -0.759 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479277524 288310976 /nfs/dbraw/zinc/31/09/76/288310976.db2.gz YQOCELAMSDVQCB-WRWGMCAJSA-N 2 1 253.346 -0.596 20 0 CBADMP CC[C@]1(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCC[NH2+]1 ZINC000122160124 281302748 /nfs/dbraw/zinc/30/27/48/281302748.db2.gz FUUSCTCJMWCLAO-GXTWGEPZSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000353392695 288879994 /nfs/dbraw/zinc/87/99/94/288879994.db2.gz XWNOZMAPBLJHNK-BJDJZHNGSA-N 2 1 253.346 -0.569 20 0 CBADMP C[NH+](C)C/C=C\C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000492069254 289041026 /nfs/dbraw/zinc/04/10/26/289041026.db2.gz RLSSNHDRZAVMCB-ZRUQZJFASA-N 2 1 285.388 -0.696 20 0 CBADMP C[C@@H]1[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)CCC[N@H+]1C ZINC000417993285 289053302 /nfs/dbraw/zinc/05/33/02/289053302.db2.gz AKBFWVQZFMSHAN-IJLUTSLNSA-N 2 1 270.377 -0.162 20 0 CBADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000246805840 289195785 /nfs/dbraw/zinc/19/57/85/289195785.db2.gz BZAMHAMCSYIUDT-KBPBESRZSA-N 2 1 271.405 -0.437 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428037207 289238379 /nfs/dbraw/zinc/23/83/79/289238379.db2.gz JHDHHVFPYCGNCD-NWDGAFQWSA-N 2 1 275.418 -0.048 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428037207 289238382 /nfs/dbraw/zinc/23/83/82/289238382.db2.gz JHDHHVFPYCGNCD-NWDGAFQWSA-N 2 1 275.418 -0.048 20 0 CBADMP CN(CC[NH2+]C(C)(C)C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000414699193 289673434 /nfs/dbraw/zinc/67/34/34/289673434.db2.gz JNQBEZZDBZMICP-CYBMUJFWSA-N 2 1 273.421 -0.001 20 0 CBADMP CN1CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C(C)(C)C1=O ZINC000414717125 290045515 /nfs/dbraw/zinc/04/55/15/290045515.db2.gz XTJVYBQQJZSCCT-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000361814166 293019388 /nfs/dbraw/zinc/01/93/88/293019388.db2.gz NAYOPHSKVSKEQY-SDDRHHMPSA-N 2 1 270.377 -0.002 20 0 CBADMP COC[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000354067790 293118155 /nfs/dbraw/zinc/11/81/55/293118155.db2.gz GHFFQWGABMKHHE-QWRGUYRKSA-N 2 1 259.350 -0.813 20 0 CBADMP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220875127 293117297 /nfs/dbraw/zinc/11/72/97/293117297.db2.gz DSJYMMLNBUEAAN-SDDRHHMPSA-N 2 1 255.362 -0.097 20 0 CBADMP COC[C@]1(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC[NH2+]C1 ZINC000423371089 293267003 /nfs/dbraw/zinc/26/70/03/293267003.db2.gz AHQMQKQUIIMRCB-YDHLFZDLSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@]1(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC[NH2+]C1 ZINC000423371089 293267004 /nfs/dbraw/zinc/26/70/04/293267004.db2.gz AHQMQKQUIIMRCB-YDHLFZDLSA-N 2 1 299.415 -0.474 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000353580416 295056261 /nfs/dbraw/zinc/05/62/61/295056261.db2.gz TYKHNPRCSQZYAV-ONGXEEELSA-N 2 1 268.361 -0.678 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444175681 295107788 /nfs/dbraw/zinc/10/77/88/295107788.db2.gz LDVJDLBPWLZUNC-GHMZBOCLSA-N 2 1 268.361 -0.948 20 0 CBADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1COCC[NH2+]1 ZINC000261609069 295214825 /nfs/dbraw/zinc/21/48/25/295214825.db2.gz FFPGULNULWDUAN-SZQBSXBZSA-N 2 1 267.373 -0.003 20 0 CBADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000332065158 295301369 /nfs/dbraw/zinc/30/13/69/295301369.db2.gz RHXGJTLHZQTEBS-UPJWGTAASA-N 2 1 294.399 -0.321 20 0 CBADMP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000424199866 295302978 /nfs/dbraw/zinc/30/29/78/295302978.db2.gz QLHKUOUDARFOMX-MCIONIFRSA-N 2 1 297.399 -0.280 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3COCC[NH2+]3)C[C@@H]21 ZINC000342716652 295308749 /nfs/dbraw/zinc/30/87/49/295308749.db2.gz DFVLLDLUBIAJLX-KXNHARMFSA-N 2 1 253.346 -0.439 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000249133108 295314070 /nfs/dbraw/zinc/31/40/70/295314070.db2.gz MPBLOKBGVVDRGF-JHJVBQTASA-N 2 1 294.399 -0.463 20 0 CBADMP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000419736164 295339715 /nfs/dbraw/zinc/33/97/15/295339715.db2.gz RMIMVEHMPKNEFM-WCQYABFASA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361081547 297582531 /nfs/dbraw/zinc/58/25/31/297582531.db2.gz RHURBCBZNVWXFD-SQNXGDPESA-N 2 1 267.373 -0.132 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174718423 298132293 /nfs/dbraw/zinc/13/22/93/298132293.db2.gz OUJBMPXXHYSMJB-LLVKDONJSA-N 2 1 285.392 -0.861 20 0 CBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252839969 298134129 /nfs/dbraw/zinc/13/41/29/298134129.db2.gz BGXRWMKJECKAMI-XFWSIPNHSA-N 2 1 254.334 -0.371 20 0 CBADMP C[C@H](C[NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000262457258 298519846 /nfs/dbraw/zinc/51/98/46/298519846.db2.gz WQQKETNPWQFAQY-LLVKDONJSA-N 2 1 270.377 -0.796 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349029317 300234589 /nfs/dbraw/zinc/23/45/89/300234589.db2.gz QLTSJAQAXIMMOT-GXFFZTMASA-N 2 1 267.373 -0.036 20 0 CBADMP [NH3+]CCNC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000419183818 303381980 /nfs/dbraw/zinc/38/19/80/303381980.db2.gz MSQRODQPMIXVSI-CYBMUJFWSA-N 2 1 296.415 -0.025 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000063179699 303382718 /nfs/dbraw/zinc/38/27/18/303382718.db2.gz CHOUTBHWPIGDEL-SNVBAGLBSA-N 2 1 268.361 -0.948 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000570862595 327628374 /nfs/dbraw/zinc/62/83/74/327628374.db2.gz IKTYGQSKCLHEAH-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000580715853 327736984 /nfs/dbraw/zinc/73/69/84/327736984.db2.gz ZGYGANAJTYXYIV-SDDRHHMPSA-N 2 1 283.372 -0.181 20 0 CBADMP CC(C)[NH+]1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000582178864 328611825 /nfs/dbraw/zinc/61/18/25/328611825.db2.gz WVGBYEVVFDUDIE-UHFFFAOYSA-N 2 1 280.376 -0.207 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000563457543 328067705 /nfs/dbraw/zinc/06/77/05/328067705.db2.gz LFILEQYNFVCRDR-AGIUHOORSA-N 2 1 296.415 -0.347 20 0 CBADMP CN1CC[NH2+]C[C@H]1CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000563596637 328076137 /nfs/dbraw/zinc/07/61/37/328076137.db2.gz UKQUASDSTZUQON-KBPBESRZSA-N 2 1 297.447 -0.079 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000563659904 328082509 /nfs/dbraw/zinc/08/25/09/328082509.db2.gz GPALNRQQSJCYDK-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](CNC(=O)C1([NH3+])CCC1)CN1CC[NH+](C)CC1 ZINC000582961711 329290146 /nfs/dbraw/zinc/29/01/46/329290146.db2.gz AGLUHZFKJJGPMW-GFCCVEGCSA-N 2 1 268.405 -0.133 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C2CC2)CC1 ZINC000388780225 328303170 /nfs/dbraw/zinc/30/31/70/328303170.db2.gz MYOFVUYTYRGXRZ-AWEZNQCLSA-N 2 1 271.405 -0.295 20 0 CBADMP CC[NH2+]CCCNC(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC000568628954 327006049 /nfs/dbraw/zinc/00/60/49/327006049.db2.gz ONHPHNFFEYOKIS-NSHDSACASA-N 2 1 253.350 -0.204 20 0 CBADMP [NH3+]CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000584113637 327040817 /nfs/dbraw/zinc/04/08/17/327040817.db2.gz ZUWNTYOBFFXOQO-QWHCGFSZSA-N 3 1 268.405 -0.085 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000569236319 327064440 /nfs/dbraw/zinc/06/44/40/327064440.db2.gz JCEQRTWBQYJVEG-QWRGUYRKSA-N 2 1 271.361 -0.277 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000564448289 327089277 /nfs/dbraw/zinc/08/92/77/327089277.db2.gz LHZHNCWLIPWLJA-VXGBXAGGSA-N 2 1 282.388 -0.430 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000566171325 327155172 /nfs/dbraw/zinc/15/51/72/327155172.db2.gz LKVVEXWEGANGKQ-VXGBXAGGSA-N 2 1 292.387 -0.288 20 0 CBADMP C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)[N@@H+](C)C1CC1 ZINC000564653391 327160327 /nfs/dbraw/zinc/16/03/27/327160327.db2.gz VFDZJKGKYBYSGS-SNVBAGLBSA-N 2 1 280.376 -0.161 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000569481687 327184233 /nfs/dbraw/zinc/18/42/33/327184233.db2.gz OEWGXNJTYATQPQ-ZDUSSCGKSA-N 2 1 270.421 -0.062 20 0 CBADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000573914043 327271974 /nfs/dbraw/zinc/27/19/74/327271974.db2.gz PXZCFWVHZJQLIR-CQSZACIVSA-N 2 1 282.388 -0.056 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000564976487 327303945 /nfs/dbraw/zinc/30/39/45/327303945.db2.gz TUBPSHUDIKMZSN-STQMWFEESA-N 2 1 260.378 -0.180 20 0 CBADMP C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000574454068 327335422 /nfs/dbraw/zinc/33/54/22/327335422.db2.gz OMJUUIATCHWSER-JHJVBQTASA-N 2 1 268.405 -0.264 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000574543548 327344823 /nfs/dbraw/zinc/34/48/23/327344823.db2.gz VMQNMEMFSZRLEY-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](C[C@H]3CCSC3)CCN2C1=O ZINC000579259614 327361006 /nfs/dbraw/zinc/36/10/06/327361006.db2.gz XWULAFZTZYYHPO-OUAUKWLOSA-N 2 1 255.387 -0.017 20 0 CBADMP O=C(CCOC1C[NH2+]C1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000579581580 327392723 /nfs/dbraw/zinc/39/27/23/327392723.db2.gz FOUFDLCTRBGAKQ-AWEZNQCLSA-N 2 1 290.367 -0.067 20 0 CBADMP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCCF)CC1 ZINC000402624405 328837120 /nfs/dbraw/zinc/83/71/20/328837120.db2.gz ASUNLZJNEQJQOM-UHFFFAOYSA-N 2 1 258.341 -0.011 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)C[N@H+]1C1CC1 ZINC000582476368 329094740 /nfs/dbraw/zinc/09/47/40/329094740.db2.gz UDESODIIRFSHDQ-YRGRVCCFSA-N 2 1 295.431 -0.186 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000582733570 329133405 /nfs/dbraw/zinc/13/34/05/329133405.db2.gz HBJBPIXRUOAHDV-QWHCGFSZSA-N 2 1 259.394 -0.439 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000399400757 329452715 /nfs/dbraw/zinc/45/27/15/329452715.db2.gz AMDSSTXCFFAQBP-FZMZJTMJSA-N 2 1 298.431 -0.068 20 0 CBADMP CC[N@@H+](C)CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000575919914 335131014 /nfs/dbraw/zinc/13/10/14/335131014.db2.gz DFPSXFFOADZJNZ-UHFFFAOYSA-N 2 1 254.338 -0.692 20 0 CBADMP C[NH+](C)C[C@@H](O)C[NH2+]CCC(=O)Nc1cccnc1 ZINC000576040551 335144446 /nfs/dbraw/zinc/14/44/46/335144446.db2.gz KNKMYTKQJUTVBM-LBPRGKRZSA-N 2 1 266.345 -0.078 20 0 CBADMP C[C@H](C(=O)N1CCC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000576040438 335144455 /nfs/dbraw/zinc/14/44/55/335144455.db2.gz FYHLOPNGJYUFEW-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(C(=O)NC)C1 ZINC000564341240 334141374 /nfs/dbraw/zinc/14/13/74/334141374.db2.gz AAYFKRKLEDECJO-DGCLKSJQSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(C(=O)NC)C1 ZINC000564341240 334141375 /nfs/dbraw/zinc/14/13/75/334141375.db2.gz AAYFKRKLEDECJO-DGCLKSJQSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000564341240 334141376 /nfs/dbraw/zinc/14/13/76/334141376.db2.gz AAYFKRKLEDECJO-DGCLKSJQSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000564341240 334141377 /nfs/dbraw/zinc/14/13/77/334141377.db2.gz AAYFKRKLEDECJO-DGCLKSJQSA-N 2 1 257.378 -0.243 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000572532738 334352917 /nfs/dbraw/zinc/35/29/17/334352917.db2.gz BUPMVPPZRFOHOF-RYUDHWBXSA-N 2 1 293.433 -0.782 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000572532738 334352918 /nfs/dbraw/zinc/35/29/18/334352918.db2.gz BUPMVPPZRFOHOF-RYUDHWBXSA-N 2 1 293.433 -0.782 20 0 CBADMP C[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[NH+]1CC(C)C1 ZINC000553198088 334368394 /nfs/dbraw/zinc/36/83/94/334368394.db2.gz QDWYZAQFLVVGNL-AAEUAGOBSA-N 2 1 257.378 -0.245 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C2(C)C[NH2+]C2)CC1 ZINC000567804370 334762728 /nfs/dbraw/zinc/76/27/28/334762728.db2.gz DDXJGWBNPPGFFN-UHFFFAOYSA-N 2 1 282.388 -0.735 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000567836003 334766582 /nfs/dbraw/zinc/76/65/82/334766582.db2.gz XEIQKJZDJLVKQZ-MNOVXSKESA-N 2 1 251.334 -0.451 20 0 CBADMP Cc1ccc([C@@H]([NH3+])C(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000567883653 334771582 /nfs/dbraw/zinc/77/15/82/334771582.db2.gz CXDVPNFKVLFIGM-CQSZACIVSA-N 2 1 290.367 -0.457 20 0 CBADMP CCOCC[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000569095316 334854792 /nfs/dbraw/zinc/85/47/92/334854792.db2.gz NRTMGUUOCUEUGO-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CC(=O)NC1=O ZINC000576714069 335238806 /nfs/dbraw/zinc/23/88/06/335238806.db2.gz LHYQSFGISMKHPB-JTQLQIEISA-N 2 1 250.302 -0.071 20 0 CBADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CC(=O)NC1=O ZINC000576714069 335238807 /nfs/dbraw/zinc/23/88/07/335238807.db2.gz LHYQSFGISMKHPB-JTQLQIEISA-N 2 1 250.302 -0.071 20 0 CBADMP [NH3+]CCCCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000577279339 335334581 /nfs/dbraw/zinc/33/45/81/335334581.db2.gz LMVAMHQNKYANTC-LBPRGKRZSA-N 2 1 282.388 -0.462 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000577493897 335359052 /nfs/dbraw/zinc/35/90/52/335359052.db2.gz HDLVLJVTDFRXQE-RNJOBUHISA-N 2 1 283.372 -0.705 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000577513853 335363221 /nfs/dbraw/zinc/36/32/21/335363221.db2.gz ZXPDGZLWODSUMP-QWHCGFSZSA-N 2 1 268.357 -0.095 20 0 CBADMP C[C@H]([NH2+]C1CC1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000578510919 335643072 /nfs/dbraw/zinc/64/30/72/335643072.db2.gz CPLYSTOVVRMSCL-NSHDSACASA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H](C(=O)NC[C@H]1CCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000581071352 336003991 /nfs/dbraw/zinc/00/39/91/336003991.db2.gz DKMILAZLVMXGPS-OLZOCXBDSA-N 2 1 268.405 -0.262 20 0 CBADMP COC[C@H](O)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000581186578 336020920 /nfs/dbraw/zinc/02/09/20/336020920.db2.gz QHZTWIHKBQRCAS-GFCCVEGCSA-N 2 1 259.394 -0.391 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C)CC[NH+]1CCCC1 ZINC000382468440 336091172 /nfs/dbraw/zinc/09/11/72/336091172.db2.gz AWDNTHRFLATABN-CQSZACIVSA-N 2 1 273.421 -0.047 20 0 CBADMP C[C@H](C(=O)NC[C@H]([NH3+])C1CC1)N1CC[NH+](C)CC1 ZINC000581825178 336147878 /nfs/dbraw/zinc/14/78/78/336147878.db2.gz FOPZKXYXGPYDEA-PWSUYJOCSA-N 2 1 254.378 -0.524 20 0 CBADMP CC(C)[C@H](CNC(=O)COC1C[NH2+]C1)N1CC[NH+](C)CC1 ZINC000581882233 336158719 /nfs/dbraw/zinc/15/87/19/336158719.db2.gz KFDZUUAUYGVGMU-AWEZNQCLSA-N 2 1 298.431 -0.637 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581944082 336174143 /nfs/dbraw/zinc/17/41/43/336174143.db2.gz PILRXDGHJBESNY-ZDUSSCGKSA-N 2 1 268.361 -0.092 20 0 CBADMP C[C@H](CO)[N@H+](C[C@H](C)O)C[C@@H](O)C[NH+]1CCCC1 ZINC000785537532 582376209 /nfs/dbraw/zinc/37/62/09/582376209.db2.gz QNOOVKOGIODXDB-AGIUHOORSA-N 2 1 260.378 -0.493 20 0 CBADMP C[C@H](CO)[N@@H+](C[C@H](C)O)C[C@@H](O)C[NH+]1CCCC1 ZINC000785537532 582376210 /nfs/dbraw/zinc/37/62/10/582376210.db2.gz QNOOVKOGIODXDB-AGIUHOORSA-N 2 1 260.378 -0.493 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@H+]1C ZINC000343286214 533934411 /nfs/dbraw/zinc/93/44/11/533934411.db2.gz XORIQPXPXZPCFF-MCIONIFRSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1C ZINC000343286214 533934415 /nfs/dbraw/zinc/93/44/15/533934415.db2.gz XORIQPXPXZPCFF-MCIONIFRSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC[NH+]1C ZINC000343286214 533934422 /nfs/dbraw/zinc/93/44/22/533934422.db2.gz XORIQPXPXZPCFF-MCIONIFRSA-N 2 1 280.416 -0.025 20 0 CBADMP COCC[N@@H+](C)CCNC[C@H](O)C[NH+]1CCCC1 ZINC000061378600 523605050 /nfs/dbraw/zinc/60/50/50/523605050.db2.gz CAXOWLXSIJUSDF-ZDUSSCGKSA-N 2 1 259.394 -0.389 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000164006009 523842557 /nfs/dbraw/zinc/84/25/57/523842557.db2.gz CURRKVMUCHTTRW-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221176371 526024067 /nfs/dbraw/zinc/02/40/67/526024067.db2.gz SRHYEMINTYZBQQ-GHMZBOCLSA-N 2 1 282.388 -0.560 20 0 CBADMP O=C(CCC1CC[NH2+]CC1)N1CC[NH+](CCO)CC1 ZINC000050941907 526410396 /nfs/dbraw/zinc/41/03/96/526410396.db2.gz JXGYDXGGGJCOHU-UHFFFAOYSA-N 2 1 269.389 -0.097 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000357252285 536507714 /nfs/dbraw/zinc/50/77/14/536507714.db2.gz WFTCOHDGKGSKMZ-LLVKDONJSA-N 2 1 257.378 -0.074 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NCC[NH+](C)C1CC1)C1CC1 ZINC000343312810 528480011 /nfs/dbraw/zinc/48/00/11/528480011.db2.gz QGUWHHHKETVYLJ-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)C(=O)NCC[N@H+](C)C1CC1)C1CC1 ZINC000343312810 528480014 /nfs/dbraw/zinc/48/00/14/528480014.db2.gz QGUWHHHKETVYLJ-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)C(=O)NCC[N@@H+](C)C1CC1)C1CC1 ZINC000343312810 528480021 /nfs/dbraw/zinc/48/00/21/528480021.db2.gz QGUWHHHKETVYLJ-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354678678 529050613 /nfs/dbraw/zinc/05/06/13/529050613.db2.gz PYEHDIAFMDQLPJ-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354678686 529087567 /nfs/dbraw/zinc/08/75/67/529087567.db2.gz PYEHDIAFMDQLPJ-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000236882522 535704995 /nfs/dbraw/zinc/70/49/95/535704995.db2.gz LMSLUGXWRHVLFJ-KBPBESRZSA-N 2 1 282.432 -0.014 20 0 CBADMP CC[C@H]1C[N@H+](CCOCC[NH3+])CCN1C[C@H](C)O ZINC000357077969 536151297 /nfs/dbraw/zinc/15/12/97/536151297.db2.gz JOPUVZVYDIVBGN-STQMWFEESA-N 2 1 259.394 -0.261 20 0 CBADMP CC[C@H]1C[N@@H+](CCOCC[NH3+])CCN1C[C@H](C)O ZINC000357077969 536151299 /nfs/dbraw/zinc/15/12/99/536151299.db2.gz JOPUVZVYDIVBGN-STQMWFEESA-N 2 1 259.394 -0.261 20 0 CBADMP CC[C@H]1CN(CCOCC[NH3+])CC[N@H+]1C[C@H](C)O ZINC000357077969 536151295 /nfs/dbraw/zinc/15/12/95/536151295.db2.gz JOPUVZVYDIVBGN-STQMWFEESA-N 2 1 259.394 -0.261 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1CC[N@H+](CCOC)C1)c1cnn(C)c1 ZINC000357236241 536386582 /nfs/dbraw/zinc/38/65/82/536386582.db2.gz DUWBWUNHXYOYSQ-OLZOCXBDSA-N 2 1 295.387 -0.483 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@@H]1CC[N@@H+](CCOC)C1)c1cnn(C)c1 ZINC000357236241 536386584 /nfs/dbraw/zinc/38/65/84/536386584.db2.gz DUWBWUNHXYOYSQ-OLZOCXBDSA-N 2 1 295.387 -0.483 20 0 CBADMP C[NH+]1CCN(c2cc(N3CC[NH+](C)CC3)ncn2)CC1 ZINC000157477671 536420066 /nfs/dbraw/zinc/42/00/66/536420066.db2.gz UEQMTZKQDQDPMM-UHFFFAOYSA-N 2 1 276.388 -0.020 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=[NH2+])N2CCOCC2)C1 ZINC000104183132 582113262 /nfs/dbraw/zinc/11/32/62/582113262.db2.gz KQKZQHKOSUMFFI-LBPRGKRZSA-N 2 1 297.403 -0.779 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=[NH2+])N2CCOCC2)C1 ZINC000104183135 582113271 /nfs/dbraw/zinc/11/32/71/582113271.db2.gz KQKZQHKOSUMFFI-GFCCVEGCSA-N 2 1 297.403 -0.779 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000111758143 582115548 /nfs/dbraw/zinc/11/55/48/582115548.db2.gz TVXDREPYCJPVOA-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP O=C(CC[C@@H]1CC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000134479973 582124987 /nfs/dbraw/zinc/12/49/87/582124987.db2.gz RPAQESMJNJMPTI-GFCCVEGCSA-N 2 1 255.362 -0.487 20 0 CBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000727859896 582142566 /nfs/dbraw/zinc/14/25/66/582142566.db2.gz HOKZTMAPRJGHQZ-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000727859896 582142567 /nfs/dbraw/zinc/14/25/67/582142567.db2.gz HOKZTMAPRJGHQZ-CQSZACIVSA-N 2 1 299.415 -0.064 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000731879312 582154985 /nfs/dbraw/zinc/15/49/85/582154985.db2.gz WVBNHVJMXYXMGB-KBPBESRZSA-N 2 1 296.415 -0.787 20 0 CBADMP C[NH+]1CCN(CC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000731879312 582154987 /nfs/dbraw/zinc/15/49/87/582154987.db2.gz WVBNHVJMXYXMGB-KBPBESRZSA-N 2 1 296.415 -0.787 20 0 CBADMP C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)CCOCCO ZINC000739911713 582263728 /nfs/dbraw/zinc/26/37/28/582263728.db2.gz ASHPVHVXRHQISY-UHFFFAOYSA-N 2 1 287.404 -0.615 20 0 CBADMP CC[NH+](C/C=C/C[N@H+](CC)CC(=O)NC)CC(=O)NC ZINC000741787518 582270864 /nfs/dbraw/zinc/27/08/64/582270864.db2.gz QYQBKNRUPGVQPK-BQYQJAHWSA-N 2 1 284.404 -0.322 20 0 CBADMP CC(C)[C@@H](C[NH+](C)C)NC(=O)CN1CC[NH+](C)CC1 ZINC000743586742 582277188 /nfs/dbraw/zinc/27/71/88/582277188.db2.gz HKHKLDGDTSJFBH-CYBMUJFWSA-N 2 1 270.421 -0.064 20 0 CBADMP COC[C@](C)(CCO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000754668665 582299964 /nfs/dbraw/zinc/29/99/64/582299964.db2.gz STWGIBRONLZIAE-STQMWFEESA-N 2 1 260.378 -0.180 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](CO)C2CC2)CC1 ZINC000763072213 582319452 /nfs/dbraw/zinc/31/94/52/582319452.db2.gz UCTHGUPUNFDRIN-DGCLKSJQSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](CO)C2CC2)CC1 ZINC000763072217 582319455 /nfs/dbraw/zinc/31/94/55/582319455.db2.gz UCTHGUPUNFDRIN-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1C ZINC000764403537 582323193 /nfs/dbraw/zinc/32/31/93/582323193.db2.gz YJMKFCQWEISWOI-OLZOCXBDSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@H+]1C ZINC000764403537 582323194 /nfs/dbraw/zinc/32/31/94/582323194.db2.gz YJMKFCQWEISWOI-OLZOCXBDSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1C ZINC000764403537 582323195 /nfs/dbraw/zinc/32/31/95/582323195.db2.gz YJMKFCQWEISWOI-OLZOCXBDSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC[NH+]1C ZINC000764403537 582323196 /nfs/dbraw/zinc/32/31/96/582323196.db2.gz YJMKFCQWEISWOI-OLZOCXBDSA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1C ZINC000764403539 582323203 /nfs/dbraw/zinc/32/32/03/582323203.db2.gz YJMKFCQWEISWOI-STQMWFEESA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@H+]1C ZINC000764403539 582323204 /nfs/dbraw/zinc/32/32/04/582323204.db2.gz YJMKFCQWEISWOI-STQMWFEESA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1C ZINC000764403539 582323205 /nfs/dbraw/zinc/32/32/05/582323205.db2.gz YJMKFCQWEISWOI-STQMWFEESA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC[NH+]1C ZINC000764403539 582323206 /nfs/dbraw/zinc/32/32/06/582323206.db2.gz YJMKFCQWEISWOI-STQMWFEESA-N 2 1 266.389 -0.461 20 0 CBADMP C[C@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CC[N@H+]1CCO ZINC000778350769 582358682 /nfs/dbraw/zinc/35/86/82/582358682.db2.gz ITYGIBQIYFUTRX-KBPBESRZSA-N 2 1 271.405 -0.559 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ncnn2C)C1 ZINC000779656295 582362294 /nfs/dbraw/zinc/36/22/94/582362294.db2.gz XECCEWBFSDTFST-SNVBAGLBSA-N 2 1 282.348 -0.077 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ncnn2C)C1 ZINC000779656295 582362295 /nfs/dbraw/zinc/36/22/95/582362295.db2.gz XECCEWBFSDTFST-SNVBAGLBSA-N 2 1 282.348 -0.077 20 0 CBADMP COC(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)OC ZINC000781902297 582366851 /nfs/dbraw/zinc/36/68/51/582366851.db2.gz ATDDUCMSLOVVSR-UHFFFAOYSA-N 2 1 288.388 -0.236 20 0 CBADMP CC1(C)CN(C[C@H](O)C[NH+]2CCCC2)CC[N@H+]1CCO ZINC000781961523 582367047 /nfs/dbraw/zinc/36/70/47/582367047.db2.gz ANLDGZQFAXAXKV-CQSZACIVSA-N 2 1 285.432 -0.168 20 0 CBADMP O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)N1 ZINC000789377356 582388299 /nfs/dbraw/zinc/38/82/99/582388299.db2.gz HXGVMOUAMYMWQR-SMDDNHRTSA-N 2 1 296.371 -0.883 20 0 CBADMP O=C1NC(=O)[C@]2(CCC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)N1 ZINC000789377356 582388300 /nfs/dbraw/zinc/38/83/00/582388300.db2.gz HXGVMOUAMYMWQR-SMDDNHRTSA-N 2 1 296.371 -0.883 20 0 CBADMP COCC[NH+]1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000798073935 582414093 /nfs/dbraw/zinc/41/40/93/582414093.db2.gz QHWAFCAANDZPQR-UHFFFAOYSA-N 2 1 274.434 -0.314 20 0 CBADMP CNC(=O)C1([NH2+]CCC(=O)N2CC[NH+](C)CC2)CCCC1 ZINC000801523207 582424552 /nfs/dbraw/zinc/42/45/52/582424552.db2.gz KXPRNQYBPMJMPQ-UHFFFAOYSA-N 2 1 296.415 -0.201 20 0 CBADMP NC(=O)C[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000808775178 582444457 /nfs/dbraw/zinc/44/44/57/582444457.db2.gz PUUYEZCTRKBESY-VXGBXAGGSA-N 2 1 255.362 -0.360 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2nnn(C)n2)C1 ZINC000809998546 582447847 /nfs/dbraw/zinc/44/78/47/582447847.db2.gz TZBZKUYPCJKVGI-VIFPVBQESA-N 2 1 283.336 -0.682 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2nnn(C)n2)C1 ZINC000809998546 582447848 /nfs/dbraw/zinc/44/78/48/582447848.db2.gz TZBZKUYPCJKVGI-VIFPVBQESA-N 2 1 283.336 -0.682 20 0 CBADMP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnn(C)n1 ZINC000815135781 582461396 /nfs/dbraw/zinc/46/13/96/582461396.db2.gz HTNOXPCCNDGTBO-GFCCVEGCSA-N 2 1 266.393 -0.069 20 0 CBADMP C[N@@H+]1C[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC000816949646 582486919 /nfs/dbraw/zinc/48/69/19/582486919.db2.gz BBYOSTRGPGCWKC-CHWSQXEVSA-N 2 1 267.373 -0.129 20 0 CBADMP C[N@H+]1C[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC000816949646 582486921 /nfs/dbraw/zinc/48/69/21/582486921.db2.gz BBYOSTRGPGCWKC-CHWSQXEVSA-N 2 1 267.373 -0.129 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)C2CC2)C1 ZINC000819004019 582524756 /nfs/dbraw/zinc/52/47/56/582524756.db2.gz JOLWILOZCLXSOD-CHWSQXEVSA-N 2 1 269.389 -0.066 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCN(C=O)CC2)CC1 ZINC000821287961 582598064 /nfs/dbraw/zinc/59/80/64/582598064.db2.gz KHCHIOUXXHCABC-UHFFFAOYSA-N 2 1 282.388 -0.685 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCN(C=O)CC2)CC1 ZINC000821287961 582598066 /nfs/dbraw/zinc/59/80/66/582598066.db2.gz KHCHIOUXXHCABC-UHFFFAOYSA-N 2 1 282.388 -0.685 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000822119735 582627781 /nfs/dbraw/zinc/62/77/81/582627781.db2.gz SLWYFYGBYILZLL-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000822119735 582627782 /nfs/dbraw/zinc/62/77/82/582627782.db2.gz SLWYFYGBYILZLL-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC(C[NH+]2CCOCC2)C1 ZINC000823085119 582658223 /nfs/dbraw/zinc/65/82/23/582658223.db2.gz LZPQPZWAZFSXIJ-UHFFFAOYSA-N 2 1 267.373 -0.127 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[N@H+](C)C1 ZINC000823571324 582674430 /nfs/dbraw/zinc/67/44/30/582674430.db2.gz YWNGLQAJXSDHDG-GFCCVEGCSA-N 2 1 283.372 -0.355 20 0 CBADMP COC(=O)[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[N@@H+](C)C1 ZINC000823571324 582674432 /nfs/dbraw/zinc/67/44/32/582674432.db2.gz YWNGLQAJXSDHDG-GFCCVEGCSA-N 2 1 283.372 -0.355 20 0 CBADMP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)C[NH+]1CCCC1 ZINC000823683213 582677158 /nfs/dbraw/zinc/67/71/58/582677158.db2.gz RMNXIXACVMMQDX-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)C[NH+]1CCCC1 ZINC000823683213 582677159 /nfs/dbraw/zinc/67/71/59/582677159.db2.gz RMNXIXACVMMQDX-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000827577200 582824611 /nfs/dbraw/zinc/82/46/11/582824611.db2.gz FKWMBRRZKGERKP-TZMCWYRMSA-N 2 1 285.388 -0.674 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000827577200 582824612 /nfs/dbraw/zinc/82/46/12/582824612.db2.gz FKWMBRRZKGERKP-TZMCWYRMSA-N 2 1 285.388 -0.674 20 0 CBADMP CC(C)(C)[NH2+]CCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000827749125 582831478 /nfs/dbraw/zinc/83/14/78/582831478.db2.gz DVGBVUXMONTJIF-NSHDSACASA-N 2 1 257.378 -0.053 20 0 CBADMP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000827936808 582836392 /nfs/dbraw/zinc/83/63/92/582836392.db2.gz WGIAEIDUZIMEMO-MELADBBJSA-N 2 1 297.399 -0.266 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000829148503 582882830 /nfs/dbraw/zinc/88/28/30/582882830.db2.gz KELOFYLGYRQANH-CYBMUJFWSA-N 2 1 296.415 -0.217 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]3[NH3+])C2)CC1 ZINC000829484719 582888143 /nfs/dbraw/zinc/88/81/43/582888143.db2.gz WSNQWRCLQJMKFR-UHTWSYAYSA-N 2 1 266.389 -0.382 20 0 CBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3C[C@@H]3[NH3+])C2)CC1 ZINC000829484719 582888144 /nfs/dbraw/zinc/88/81/44/582888144.db2.gz WSNQWRCLQJMKFR-UHTWSYAYSA-N 2 1 266.389 -0.382 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000830355246 582929427 /nfs/dbraw/zinc/92/94/27/582929427.db2.gz DTKKCTYDBXRKTI-ZDUSSCGKSA-N 2 1 273.352 -0.131 20 0 CBADMP CCO[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)C[NH+](C)C ZINC000831703043 582995836 /nfs/dbraw/zinc/99/58/36/582995836.db2.gz PPXUQLSVHQRYLN-OUCADQQQSA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@H]1CCC[N@H+]1CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000831970729 583008806 /nfs/dbraw/zinc/00/88/06/583008806.db2.gz KUCXUNRHVAACBF-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000831971417 583009233 /nfs/dbraw/zinc/00/92/33/583009233.db2.gz XGJZNRSARQGUSJ-OLZOCXBDSA-N 2 1 296.415 -0.155 20 0 CBADMP CN(C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CC([NH3+])C1 ZINC000841790481 583173965 /nfs/dbraw/zinc/17/39/65/583173965.db2.gz XIBNWFVLYXLXEN-MVKMKZAISA-N 2 1 282.388 -0.019 20 0 CBADMP O=C(NCC[NH2+]C1CC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000841790189 583174010 /nfs/dbraw/zinc/17/40/10/583174010.db2.gz AJDYWQUGAHQDSK-CHWSQXEVSA-N 2 1 282.388 -0.099 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)[NH3+])C(C)C ZINC000842229056 583181775 /nfs/dbraw/zinc/18/17/75/583181775.db2.gz HQIQHNIUQDILBF-JTQLQIEISA-N 2 1 258.366 -0.704 20 0 CBADMP O=C([C@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1)N1CC[NH2+]CC1 ZINC000843347858 583211351 /nfs/dbraw/zinc/21/13/51/583211351.db2.gz WSHKETOGNOTASS-RYUDHWBXSA-N 2 1 281.356 -0.554 20 0 CBADMP O=C([C@H]1CCC[N@H+]([C@H]2CCOC2=O)C1)N1CC[NH2+]CC1 ZINC000843347858 583211353 /nfs/dbraw/zinc/21/13/53/583211353.db2.gz WSHKETOGNOTASS-RYUDHWBXSA-N 2 1 281.356 -0.554 20 0 CBADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)C(=O)N(C)C ZINC000843355417 583212058 /nfs/dbraw/zinc/21/20/58/583212058.db2.gz NXNRTJVTYKVGLJ-VOMCLLRMSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[NH2+]CC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000843493805 583228836 /nfs/dbraw/zinc/22/88/36/583228836.db2.gz PHNNUVWNNICYHB-UHFFFAOYSA-N 2 1 256.394 -0.308 20 0 CBADMP O=C(CO[C@@H]1CCC[NH2+]C1)NCCC[NH+]1CCOCC1 ZINC000844165697 583255170 /nfs/dbraw/zinc/25/51/70/583255170.db2.gz QSYIVQPQPHWLLT-CYBMUJFWSA-N 2 1 285.388 -0.407 20 0 CBADMP CC[NH2+]CC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000844169267 583256180 /nfs/dbraw/zinc/25/61/80/583256180.db2.gz VAIPFCCDOKLAGY-UHFFFAOYSA-N 2 1 296.415 -0.247 20 0 CBADMP CC[NH2+]CC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000844169267 583256182 /nfs/dbraw/zinc/25/61/82/583256182.db2.gz VAIPFCCDOKLAGY-UHFFFAOYSA-N 2 1 296.415 -0.247 20 0 CBADMP C[N@@H+](CCNC(=O)CO[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000844175166 583257252 /nfs/dbraw/zinc/25/72/52/583257252.db2.gz CELNMMONSMTUFM-GFCCVEGCSA-N 2 1 255.362 -0.035 20 0 CBADMP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CSC[NH2+]1 ZINC000844179850 583257662 /nfs/dbraw/zinc/25/76/62/583257662.db2.gz MSORSRHWEHLVFB-GARJFASQSA-N 2 1 271.386 -0.372 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CSC[NH2+]1 ZINC000844179850 583257665 /nfs/dbraw/zinc/25/76/65/583257665.db2.gz MSORSRHWEHLVFB-GARJFASQSA-N 2 1 271.386 -0.372 20 0 CBADMP C[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)C[NH+]1CCOCC1 ZINC000844179804 583257683 /nfs/dbraw/zinc/25/76/83/583257683.db2.gz ZIRHNRBZDUFEEH-ZIAGYGMSSA-N 2 1 299.415 -0.161 20 0 CBADMP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000844179004 583257876 /nfs/dbraw/zinc/25/78/76/583257876.db2.gz CLHONJJPYASAEF-MGPQQGTHSA-N 2 1 297.399 -0.266 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844181467 583258467 /nfs/dbraw/zinc/25/84/67/583258467.db2.gz RFFJPMUEUBNULD-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[NH2+]CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000844183184 583258958 /nfs/dbraw/zinc/25/89/58/583258958.db2.gz VQJQNFFWOGBJQB-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[NH2+]CC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000844192053 583260087 /nfs/dbraw/zinc/26/00/87/583260087.db2.gz GCCPDABEBRGREL-LBPRGKRZSA-N 2 1 256.394 -0.404 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCc1ccccn1 ZINC000844220010 583261364 /nfs/dbraw/zinc/26/13/64/583261364.db2.gz QPULUTIRESWESN-UHFFFAOYSA-N 2 1 291.399 -0.465 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCc1ccccn1 ZINC000844220010 583261368 /nfs/dbraw/zinc/26/13/68/583261368.db2.gz QPULUTIRESWESN-UHFFFAOYSA-N 2 1 291.399 -0.465 20 0 CBADMP C[N@@H+](CCCCCC[NH3+])CC(=O)N1CC[NH2+]CC1 ZINC000846216883 583355545 /nfs/dbraw/zinc/35/55/45/583355545.db2.gz WYRYPQBOJQTYCZ-UHFFFAOYSA-N 3 1 256.394 -0.131 20 0 CBADMP C[N@H+](CCCCCC[NH3+])CC(=O)N1CCNCC1 ZINC000846216883 583355546 /nfs/dbraw/zinc/35/55/46/583355546.db2.gz WYRYPQBOJQTYCZ-UHFFFAOYSA-N 2 1 256.394 -0.131 20 0 CBADMP C[N@@H+](CCCCCC[NH3+])CC(=O)N1CCNCC1 ZINC000846216883 583355547 /nfs/dbraw/zinc/35/55/47/583355547.db2.gz WYRYPQBOJQTYCZ-UHFFFAOYSA-N 2 1 256.394 -0.131 20 0 CBADMP [NH3+]CCCCCC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000846221345 583356052 /nfs/dbraw/zinc/35/60/52/583356052.db2.gz XIBFAHYBMBPWRM-LLVKDONJSA-N 2 1 268.361 -0.852 20 0 CBADMP C[NH+](C)CC[C@@H](N)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000846678663 583382540 /nfs/dbraw/zinc/38/25/40/583382540.db2.gz NBTVQWQYHBQFKA-RKDXNWHRSA-N 2 1 264.320 -0.669 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000846678661 583382564 /nfs/dbraw/zinc/38/25/64/583382564.db2.gz NBTVQWQYHBQFKA-DTWKUNHWSA-N 2 1 264.320 -0.669 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848432239 583446096 /nfs/dbraw/zinc/44/60/96/583446096.db2.gz WICLEUDLSJCKSX-HGCLJGPKSA-N 2 1 255.362 -0.053 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848432239 583446100 /nfs/dbraw/zinc/44/61/00/583446100.db2.gz WICLEUDLSJCKSX-HGCLJGPKSA-N 2 1 255.362 -0.053 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848614799 583452775 /nfs/dbraw/zinc/45/27/75/583452775.db2.gz XPQLARDNMVUCMF-TUAOUCFPSA-N 2 1 282.388 -0.417 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848616414 583453326 /nfs/dbraw/zinc/45/33/26/583453326.db2.gz MGZDBLJRZGDTRB-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000849008021 583467455 /nfs/dbraw/zinc/46/74/55/583467455.db2.gz MACVIOVGMKKKBJ-GHMZBOCLSA-N 2 1 257.382 -0.619 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nnnn1C ZINC000849015767 583468233 /nfs/dbraw/zinc/46/82/33/583468233.db2.gz FFFFWEIFJBLEFL-SNVBAGLBSA-N 2 1 280.380 -0.649 20 0 CBADMP CCOCCCNC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000849019202 583468573 /nfs/dbraw/zinc/46/85/73/583468573.db2.gz RAFBKPIKHLLWLS-GFCCVEGCSA-N 2 1 258.366 -0.406 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC(F)(F)CO ZINC000849019962 583468613 /nfs/dbraw/zinc/46/86/13/583468613.db2.gz LSHPULCINCLLLT-UHFFFAOYSA-N 2 1 280.319 -0.550 20 0 CBADMP COC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000849021010 583468838 /nfs/dbraw/zinc/46/88/38/583468838.db2.gz FWRJVTNVYYIIIP-NSHDSACASA-N 2 1 258.366 -0.142 20 0 CBADMP COC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000849021010 583468840 /nfs/dbraw/zinc/46/88/40/583468840.db2.gz FWRJVTNVYYIIIP-NSHDSACASA-N 2 1 258.366 -0.142 20 0 CBADMP CC[C@@H](CO)NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849020651 583468865 /nfs/dbraw/zinc/46/88/65/583468865.db2.gz SCMPBRZVRZXLDN-NSHDSACASA-N 2 1 258.366 -0.406 20 0 CBADMP [NH2+]=C(NCCCCO)NCCC[NH+]1CCOCC1 ZINC000849023323 583469224 /nfs/dbraw/zinc/46/92/24/583469224.db2.gz JJRUYRSICHIGMJ-UHFFFAOYSA-N 2 1 258.366 -0.405 20 0 CBADMP CO[C@@](C)(CO)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849049877 583471861 /nfs/dbraw/zinc/47/18/61/583471861.db2.gz WKKRBKLLKMGRTA-CYBMUJFWSA-N 2 1 288.392 -0.780 20 0 CBADMP CO[C@](C)(CO)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849049879 583471888 /nfs/dbraw/zinc/47/18/88/583471888.db2.gz WKKRBKLLKMGRTA-ZDUSSCGKSA-N 2 1 288.392 -0.780 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H](CO)CCF ZINC000849050016 583471903 /nfs/dbraw/zinc/47/19/03/583471903.db2.gz WXWDJRDCSIZLAZ-LLVKDONJSA-N 2 1 276.356 -0.457 20 0 CBADMP NC(=O)[C@H]1C[C@@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000849046926 583472013 /nfs/dbraw/zinc/47/20/13/583472013.db2.gz FFNYLYWJHNPBTF-PHIMTYICSA-N 2 1 283.376 -0.913 20 0 CBADMP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000851635986 583517287 /nfs/dbraw/zinc/51/72/87/583517287.db2.gz PEDHQQFFSLEJCZ-IUCAKERBSA-N 2 1 265.304 -0.196 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000851689588 583521995 /nfs/dbraw/zinc/52/19/95/583521995.db2.gz QWLXQOSDVDIZKJ-UWVGGRQHSA-N 2 1 256.350 -0.950 20 0 CBADMP O=C1N[C@@H]2C[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC[C@H]2CO1 ZINC000852752658 583551629 /nfs/dbraw/zinc/55/16/29/583551629.db2.gz GPUGYIKXLDAKRQ-SDDRHHMPSA-N 2 1 281.356 -0.062 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+](C3CC3)CC2)=NO1 ZINC000852857943 583561876 /nfs/dbraw/zinc/56/18/76/583561876.db2.gz KQWJESIWKJBBJL-JTQLQIEISA-N 2 1 252.318 -0.603 20 0 CBADMP CC(C)[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000852857315 583561915 /nfs/dbraw/zinc/56/19/15/583561915.db2.gz PDQWJUIUZTXKMQ-WCQYABFASA-N 2 1 298.387 -0.437 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852860629 583562416 /nfs/dbraw/zinc/56/24/16/583562416.db2.gz TUPNWJWOZSSAMT-QWRGUYRKSA-N 2 1 268.361 -0.110 20 0 CBADMP C[C@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)C[NH+]1CCOCC1 ZINC000852863398 583563305 /nfs/dbraw/zinc/56/33/05/583563305.db2.gz NEZSMPXBUBNISC-MNOVXSKESA-N 2 1 284.360 -0.826 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852863843 583563415 /nfs/dbraw/zinc/56/34/15/583563415.db2.gz SDJJLNFLLIQOJZ-JTQLQIEISA-N 2 1 256.350 -0.062 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852869589 583564740 /nfs/dbraw/zinc/56/47/40/583564740.db2.gz IFSASBHXMPHVLS-SNVBAGLBSA-N 2 1 256.350 -0.062 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@H+]1C ZINC000852868818 583564875 /nfs/dbraw/zinc/56/48/75/583564875.db2.gz VKXHEEYWWGLGEI-KXUCPTDWSA-N 2 1 254.334 -0.311 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852872887 583565469 /nfs/dbraw/zinc/56/54/69/583565469.db2.gz SPCAHNNRFPLOOO-QRTLGDNMSA-N 2 1 266.345 -0.311 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852885469 583568674 /nfs/dbraw/zinc/56/86/74/583568674.db2.gz VJGIDZQFWWNFLH-PWSUYJOCSA-N 2 1 268.361 -0.111 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)c2ccccn2)CC1 ZINC000853099403 583577863 /nfs/dbraw/zinc/57/78/63/583577863.db2.gz RZMQLQLIVADWKZ-CQSZACIVSA-N 2 1 292.383 -0.131 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000857107339 583665030 /nfs/dbraw/zinc/66/50/30/583665030.db2.gz RRJGMTBDFYVQLD-GARJFASQSA-N 2 1 256.350 -0.816 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)NCCC[NH+]1CCOCC1 ZINC000861547032 583770155 /nfs/dbraw/zinc/77/01/55/583770155.db2.gz AVFJPIWQMFAFHA-LLVKDONJSA-N 2 1 258.366 -0.303 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861647049 583775453 /nfs/dbraw/zinc/77/54/53/583775453.db2.gz ZKCATNMSHGRJJE-VHSXEESVSA-N 2 1 292.330 -0.651 20 0 CBADMP [NH3+]CCCCCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000861648609 583775843 /nfs/dbraw/zinc/77/58/43/583775843.db2.gz YGWUTYCDBIQRAJ-GFCCVEGCSA-N 2 1 272.393 -0.129 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861753493 583784186 /nfs/dbraw/zinc/78/41/86/583784186.db2.gz XWXYTENSNPYRDC-NSHDSACASA-N 2 1 272.393 -0.360 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000861763219 583785068 /nfs/dbraw/zinc/78/50/68/583785068.db2.gz MGEKIAYFUYGOKH-NXEZZACHSA-N 2 1 270.377 -0.609 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000861772990 583785630 /nfs/dbraw/zinc/78/56/30/583785630.db2.gz GDJVZTCKLWCDIP-QJPTWQEYSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000861772991 583785691 /nfs/dbraw/zinc/78/56/91/583785691.db2.gz GDJVZTCKLWCDIP-SDDRHHMPSA-N 2 1 282.388 -0.465 20 0 CBADMP C[NH+](C)CCNC(=S)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863236619 583835256 /nfs/dbraw/zinc/83/52/56/583835256.db2.gz NYCBHMVQXHNEOF-SNVBAGLBSA-N 2 1 260.407 -0.921 20 0 CBADMP C[NH+]1CCC(NC(=S)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000863252789 583835643 /nfs/dbraw/zinc/83/56/43/583835643.db2.gz AUVLZQFSHKZPFO-LBPRGKRZSA-N 2 1 286.445 -0.389 20 0 CBADMP C[NH+](C)C1(C(=O)NCC[N@H+]2CC[C@@H](O)C2)CCC1 ZINC000863319177 583837485 /nfs/dbraw/zinc/83/74/85/583837485.db2.gz HEJCNQLAKFFBQM-LLVKDONJSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549998 583846268 /nfs/dbraw/zinc/84/62/68/583846268.db2.gz WORXJBQRAHVRIE-UTUOFQBUSA-N 2 1 296.371 -0.493 20 0 CBADMP C[C@H]([NH3+])C[N@H+](C)CCCN1C(=O)NC(C)(C)C1=O ZINC000863569189 583847191 /nfs/dbraw/zinc/84/71/91/583847191.db2.gz RBDCWZPVDMLCPW-VIFPVBQESA-N 2 1 256.350 -0.014 20 0 CBADMP C[C@H]([NH3+])C[N@@H+](C)CCCN1C(=O)NC(C)(C)C1=O ZINC000863569189 583847192 /nfs/dbraw/zinc/84/71/92/583847192.db2.gz RBDCWZPVDMLCPW-VIFPVBQESA-N 2 1 256.350 -0.014 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N(C)C[C@H](C)[NH3+])CC1 ZINC000863570701 583847208 /nfs/dbraw/zinc/84/72/08/583847208.db2.gz YWTUFOGHKWYFMG-RYUDHWBXSA-N 2 1 256.394 -0.182 20 0 CBADMP [NH3+]CC1(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC000863643305 583850116 /nfs/dbraw/zinc/85/01/16/583850116.db2.gz KJSGETPXPBOOTD-OLZOCXBDSA-N 2 1 294.399 -0.018 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000863750300 583852353 /nfs/dbraw/zinc/85/23/53/583852353.db2.gz LYIWVEWCSJYQKN-NEPJUHHUSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000863750691 583852365 /nfs/dbraw/zinc/85/23/65/583852365.db2.gz VGJIELWMTUFLCJ-NSHDSACASA-N 2 1 282.388 -0.654 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+])[C@@H](C)C1 ZINC000863761442 583854354 /nfs/dbraw/zinc/85/43/54/583854354.db2.gz HFVMCIQAJKPHGY-AVGNSLFASA-N 2 1 298.431 -0.019 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863773983 583855897 /nfs/dbraw/zinc/85/58/97/583855897.db2.gz NKQPAQOROGHQFZ-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000863774099 583855924 /nfs/dbraw/zinc/85/59/24/583855924.db2.gz PLUFLMGEBXFUFJ-BXUZGUMPSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](C)C1(C(=O)NCC[N@H+]2CC[C@H](O)C2)CCC1 ZINC000863831289 583858944 /nfs/dbraw/zinc/85/89/44/583858944.db2.gz HEJCNQLAKFFBQM-NSHDSACASA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@H]1C[C@H]1NC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000864454519 583882462 /nfs/dbraw/zinc/88/24/62/583882462.db2.gz YXGHNCWTGUTSJT-WDEREUQCSA-N 2 1 267.377 -0.327 20 0 CBADMP [NH3+]CCCn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000864621975 583884857 /nfs/dbraw/zinc/88/48/57/583884857.db2.gz HJIZRHMRJUXLIP-UHFFFAOYSA-N 2 1 253.350 -0.108 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]C[C@]23COCCN2C(=O)COC3)CC[N@H+]1C ZINC000866554169 583924020 /nfs/dbraw/zinc/92/40/20/583924020.db2.gz GAZPJVIPFBMPAU-UMVBOHGHSA-N 2 1 297.399 -0.314 20 0 CBADMP CC1(C)CC[NH2+]CC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000866699338 583927566 /nfs/dbraw/zinc/92/75/66/583927566.db2.gz LQPMNGZAKVMBBH-UHFFFAOYSA-N 3 1 268.405 -0.118 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@H]2C1=O ZINC000866702043 583927824 /nfs/dbraw/zinc/92/78/24/583927824.db2.gz SQPKLEXRNZAEID-GARJFASQSA-N 2 1 251.330 -0.467 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)C[C@H]2C1=O ZINC000866701691 583927829 /nfs/dbraw/zinc/92/78/29/583927829.db2.gz MQCXXRDHPASIND-MXWKQRLJSA-N 2 1 251.330 -0.467 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](CCC3CC[NH2+]CC3)C[C@H]2C1=O ZINC000866701708 583927849 /nfs/dbraw/zinc/92/78/49/583927849.db2.gz MVPYMYGGYYXASO-TXEJJXNPSA-N 2 1 265.357 -0.077 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(CCN3CC[NH2+]CC3)CC[C@H]21 ZINC000866703365 583927851 /nfs/dbraw/zinc/92/78/51/583927851.db2.gz HQKXUDYBSKBANM-ZIAGYGMSSA-N 2 1 252.406 -0.082 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(CCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703363 583927893 /nfs/dbraw/zinc/92/78/93/583927893.db2.gz HQKXUDYBSKBANM-KGLIPLIRSA-N 2 1 252.406 -0.082 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000866708742 583928037 /nfs/dbraw/zinc/92/80/37/583928037.db2.gz OIRKTIDWMJFSFS-HZSPNIEDSA-N 3 1 294.399 -0.147 20 0 CBADMP Cn1cncc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714129 583928356 /nfs/dbraw/zinc/92/83/56/583928356.db2.gz GVJSXHKUAJUXNG-UHTWSYAYSA-N 2 1 291.355 -0.213 20 0 CBADMP Cn1cncc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714129 583928357 /nfs/dbraw/zinc/92/83/57/583928357.db2.gz GVJSXHKUAJUXNG-UHTWSYAYSA-N 2 1 291.355 -0.213 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)[C@@H]12 ZINC000866717910 583928727 /nfs/dbraw/zinc/92/87/27/583928727.db2.gz TZTTZYAGNZOKRU-YNEHKIRRSA-N 2 1 267.373 -0.035 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[NH2+]CC3)CC[C@H]21 ZINC000868386689 583976632 /nfs/dbraw/zinc/97/66/32/583976632.db2.gz KNAUPMUFLXFSBC-QWHCGFSZSA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000868388220 583976668 /nfs/dbraw/zinc/97/66/68/583976668.db2.gz XAGAGOWKFGQUFI-XQQFMLRXSA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC[C@@H]21 ZINC000868388590 583976883 /nfs/dbraw/zinc/97/68/83/583976883.db2.gz XVPRHDTUYGFABK-XQQFMLRXSA-N 2 1 294.399 -0.654 20 0 CBADMP 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 583977250 /nfs/dbraw/zinc/97/72/50/583977250.db2.gz AYRPGJRQKZNHJU-MROQNXINSA-N 2 1 292.383 -0.888 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC[NH2+]1 ZINC000868405506 583977972 /nfs/dbraw/zinc/97/79/72/583977972.db2.gz IYXLVTQKEVAAEA-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868411668 583978293 /nfs/dbraw/zinc/97/82/93/583978293.db2.gz ZRJTZFXLASSAHG-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP O=C(/C=C\CN1CCOCC1)NCCN1CCC(O)CC1 ZINC000868758186 583986081 /nfs/dbraw/zinc/98/60/81/583986081.db2.gz NLHNULLJOYIAAY-UPHRSURJSA-N 2 1 297.399 -0.552 20 0 CBADMP COCCN(C)C(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000871603957 584043441 /nfs/dbraw/zinc/04/34/41/584043441.db2.gz NYGPRAREGWMONK-RYUDHWBXSA-N 2 1 270.377 -0.048 20 0 CBADMP COCCN(C)C(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000871604969 584043715 /nfs/dbraw/zinc/04/37/15/584043715.db2.gz KDMASFDDYHXVCP-NSHDSACASA-N 2 1 257.382 -0.665 20 0 CBADMP C[N@@H+](CCCCCC[NH3+])CC(=O)N1CCNC(=O)C1 ZINC000872155287 584048511 /nfs/dbraw/zinc/04/85/11/584048511.db2.gz QIYFUXINTDCULM-UHFFFAOYSA-N 2 1 270.377 -0.604 20 0 CBADMP CC(C)(O)C[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000872198896 584049563 /nfs/dbraw/zinc/04/95/63/584049563.db2.gz BVSFSZGJRMOGHF-FRRDWIJNSA-N 2 1 272.389 -0.039 20 0 CBADMP CC(C)(O)C[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000872198896 584049565 /nfs/dbraw/zinc/04/95/65/584049565.db2.gz BVSFSZGJRMOGHF-FRRDWIJNSA-N 2 1 272.389 -0.039 20 0 CBADMP CC(C)(O)C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000872213634 584050480 /nfs/dbraw/zinc/05/04/80/584050480.db2.gz VFKUWCQKAPOJCA-NEPJUHHUSA-N 2 1 260.378 -0.445 20 0 CBADMP C[C@H](O)[C@H](O)CNC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000872225377 584051189 /nfs/dbraw/zinc/05/11/89/584051189.db2.gz JGJXZXPJOWIDJH-AEGPPILISA-N 2 1 282.384 -0.189 20 0 CBADMP O=C1OC[C@]2(C[NH2+]C[C@H](O)C[NH+]3CCCC3)COCCN12 ZINC000872227455 584051503 /nfs/dbraw/zinc/05/15/03/584051503.db2.gz FHPYSCQBEZMTAL-JSGCOSHPSA-N 2 1 299.371 -0.746 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)Cc1cnc(N)cn1 ZINC000873200714 584068533 /nfs/dbraw/zinc/06/85/33/584068533.db2.gz FFVLGYMLCHTFON-UHFFFAOYSA-N 2 1 250.350 -0.604 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cnc(N)cn1 ZINC000873200714 584068535 /nfs/dbraw/zinc/06/85/35/584068535.db2.gz FFVLGYMLCHTFON-UHFFFAOYSA-N 2 1 250.350 -0.604 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)CC1 ZINC000874837057 584092308 /nfs/dbraw/zinc/09/23/08/584092308.db2.gz HQFQDDAOBGXUQK-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000874837057 584092310 /nfs/dbraw/zinc/09/23/10/584092310.db2.gz HQFQDDAOBGXUQK-UONOGXRCSA-N 2 1 280.416 -0.071 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876707325 584140469 /nfs/dbraw/zinc/14/04/69/584140469.db2.gz BGLXJKDANSJLPG-RYUDHWBXSA-N 2 1 273.352 -0.228 20 0 CBADMP COC[C@@]1(C(=O)NCCCn2cc[nH+]c2C)C[NH2+]CCO1 ZINC000876723128 584141098 /nfs/dbraw/zinc/14/10/98/584141098.db2.gz NWKNMIOXUINIBU-CQSZACIVSA-N 2 1 296.371 -0.297 20 0 CBADMP COC[C@]1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876726850 584141290 /nfs/dbraw/zinc/14/12/90/584141290.db2.gz ANAGZAKTVWYVQV-WFASDCNBSA-N 2 1 297.399 -0.408 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@]1(COC)C[NH2+]CCO1)C(C)C ZINC000876750063 584142407 /nfs/dbraw/zinc/14/24/07/584142407.db2.gz SLSPOBDYKPMBNM-CQSZACIVSA-N 2 1 287.404 -0.162 20 0 CBADMP COC[C@]1(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876755169 584142733 /nfs/dbraw/zinc/14/27/33/584142733.db2.gz SBTNSUNOVJWDFA-ZFWWWQNUSA-N 2 1 297.399 -0.314 20 0 CBADMP COC[C@]1(C(=O)N2CC[NH+](C3CCC3)CC2)C[NH2+]CCO1 ZINC000876765630 584143307 /nfs/dbraw/zinc/14/33/07/584143307.db2.gz VBVKRCAVSOHMDW-HNNXBMFYSA-N 2 1 297.399 -0.312 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876782376 584144190 /nfs/dbraw/zinc/14/41/90/584144190.db2.gz POXLBDRODCWCAX-KGLIPLIRSA-N 2 1 299.463 -0.735 20 0 CBADMP COC[C@]1(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000876780141 584144319 /nfs/dbraw/zinc/14/43/19/584144319.db2.gz DRSTXXLHVLMMAD-JMSVASOKSA-N 2 1 297.399 -0.267 20 0 CBADMP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876854874 584150152 /nfs/dbraw/zinc/15/01/52/584150152.db2.gz XHAXLDHYZBQLBY-DJLDLDEBSA-N 2 1 265.279 -0.001 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000876885253 584153169 /nfs/dbraw/zinc/15/31/69/584153169.db2.gz KNAFNLSOYJOJIO-AGIUHOORSA-N 2 1 268.405 -0.182 20 0 CBADMP COC[C@@]1(C(=O)N(C)CC[N@@H+](C)C2CC2)C[NH2+]CCO1 ZINC000876898580 584153849 /nfs/dbraw/zinc/15/38/49/584153849.db2.gz UGPSZNCLTCNHNP-CQSZACIVSA-N 2 1 285.388 -0.456 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000876914594 584154949 /nfs/dbraw/zinc/15/49/49/584154949.db2.gz FWMBJSIFCVTXTI-STQMWFEESA-N 2 1 277.372 -0.557 20 0 CBADMP COC[C@]1(C(=O)N2CCC[N@H+](C(C)C)CC2)C[NH2+]CCO1 ZINC000876939284 584156972 /nfs/dbraw/zinc/15/69/72/584156972.db2.gz FVPYGHRKYYHFHH-HNNXBMFYSA-N 2 1 299.415 -0.066 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876939961 584157011 /nfs/dbraw/zinc/15/70/11/584157011.db2.gz NQYNFVSYEQVSGJ-LBPRGKRZSA-N 2 1 256.394 -0.182 20 0 CBADMP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C[NH2+]CCO1 ZINC000876959208 584158283 /nfs/dbraw/zinc/15/82/83/584158283.db2.gz QADVGWLMUKYEDN-DOMZBBRYSA-N 2 1 299.415 -0.020 20 0 CBADMP COC[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH2+]CCO1 ZINC000876968492 584158910 /nfs/dbraw/zinc/15/89/10/584158910.db2.gz QQRCQOFZBZNXPD-FLTXBFBQSA-N 2 1 297.399 -0.267 20 0 CBADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000876973391 584159218 /nfs/dbraw/zinc/15/92/18/584159218.db2.gz ZIOLVOZSEBACRZ-LLYGRQDZSA-N 2 1 292.427 -0.096 20 0 CBADMP CCN1CC[NH+](CCC(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000877102538 584166066 /nfs/dbraw/zinc/16/60/66/584166066.db2.gz JYMWRMJEOZBHPQ-LBPRGKRZSA-N 2 1 256.394 -0.180 20 0 CBADMP COC[C@]1(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C[NH2+]CCO1 ZINC000877250112 584172654 /nfs/dbraw/zinc/17/26/54/584172654.db2.gz NJFWPZMJSWBRJS-YDHLFZDLSA-N 2 1 297.399 -0.456 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC[C@@H]21 ZINC000877251116 584172832 /nfs/dbraw/zinc/17/28/32/584172832.db2.gz YOSYHDGZOOWJQG-NOOOWODRSA-N 2 1 253.346 -0.345 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877250961 584172841 /nfs/dbraw/zinc/17/28/41/584172841.db2.gz UZRGNTNTUSPQKW-WOPDTQHZSA-N 2 1 254.378 -0.572 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000877451533 584182362 /nfs/dbraw/zinc/18/23/62/584182362.db2.gz QJRXJUWDGZOOSH-SCRDCRAPSA-N 2 1 296.415 -0.219 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000878159460 584194449 /nfs/dbraw/zinc/19/44/49/584194449.db2.gz XMDJZDLZRPWRGK-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP Cn1nnnc1CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000878191008 584195665 /nfs/dbraw/zinc/19/56/65/584195665.db2.gz MZFNLQKDIDUCJU-UHFFFAOYSA-N 2 1 273.344 -0.030 20 0 CBADMP C[C@H]1C[C@H](O)C[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878319501 584199461 /nfs/dbraw/zinc/19/94/61/584199461.db2.gz UPKWTIQSICANMA-JQWIXIFHSA-N 2 1 255.362 -0.348 20 0 CBADMP COCCO[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878478060 584204939 /nfs/dbraw/zinc/20/49/39/584204939.db2.gz ZYUNFOBQWFSXDK-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCO[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878478060 584204940 /nfs/dbraw/zinc/20/49/40/584204940.db2.gz ZYUNFOBQWFSXDK-AWEZNQCLSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H](C)CO ZINC000878639573 584211395 /nfs/dbraw/zinc/21/13/95/584211395.db2.gz NVQLUSIXXONDPD-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000879000495 584223351 /nfs/dbraw/zinc/22/33/51/584223351.db2.gz DYWPJURXMROELK-LBPRGKRZSA-N 2 1 282.392 -0.205 20 0 CBADMP Cn1nnnc1CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000879000495 584223352 /nfs/dbraw/zinc/22/33/52/584223352.db2.gz DYWPJURXMROELK-LBPRGKRZSA-N 2 1 282.392 -0.205 20 0 CBADMP COC(=O)CNC(=O)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573213 584241407 /nfs/dbraw/zinc/24/14/07/584241407.db2.gz MSZYLCLLROXXDA-NEPJUHHUSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573213 584241409 /nfs/dbraw/zinc/24/14/09/584241409.db2.gz MSZYLCLLROXXDA-NEPJUHHUSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573213 584241410 /nfs/dbraw/zinc/24/14/10/584241410.db2.gz MSZYLCLLROXXDA-NEPJUHHUSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573213 584241412 /nfs/dbraw/zinc/24/14/12/584241412.db2.gz MSZYLCLLROXXDA-NEPJUHHUSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573214 584241528 /nfs/dbraw/zinc/24/15/28/584241528.db2.gz MSZYLCLLROXXDA-NWDGAFQWSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573214 584241530 /nfs/dbraw/zinc/24/15/30/584241530.db2.gz MSZYLCLLROXXDA-NWDGAFQWSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573214 584241532 /nfs/dbraw/zinc/24/15/32/584241532.db2.gz MSZYLCLLROXXDA-NWDGAFQWSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573214 584241533 /nfs/dbraw/zinc/24/15/33/584241533.db2.gz MSZYLCLLROXXDA-NWDGAFQWSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879581590 584241908 /nfs/dbraw/zinc/24/19/08/584241908.db2.gz MNYAFRBWZIICNG-NTZNESFSSA-N 2 1 256.346 -0.064 20 0 CBADMP COC(=O)[C@](C)(O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879581590 584241909 /nfs/dbraw/zinc/24/19/09/584241909.db2.gz MNYAFRBWZIICNG-NTZNESFSSA-N 2 1 256.346 -0.064 20 0 CBADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879581590 584241911 /nfs/dbraw/zinc/24/19/11/584241911.db2.gz MNYAFRBWZIICNG-NTZNESFSSA-N 2 1 256.346 -0.064 20 0 CBADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879581590 584241913 /nfs/dbraw/zinc/24/19/13/584241913.db2.gz MNYAFRBWZIICNG-NTZNESFSSA-N 2 1 256.346 -0.064 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)CC[N@H+]1C ZINC000879990632 584258024 /nfs/dbraw/zinc/25/80/24/584258024.db2.gz DXBJPOXBSSBTRQ-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H](CO)C[NH+]1CCCC1 ZINC000879996369 584258830 /nfs/dbraw/zinc/25/88/30/584258830.db2.gz BEBVNXXBYZMROU-ZDUSSCGKSA-N 2 1 285.388 -0.718 20 0 CBADMP CC(C)C[C@@H](C(N)=O)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000880590928 584283458 /nfs/dbraw/zinc/28/34/58/584283458.db2.gz ZVDKFIIXKASVIM-ZDUSSCGKSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)C[C@@H](C(N)=O)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000880590928 584283460 /nfs/dbraw/zinc/28/34/60/584283460.db2.gz ZVDKFIIXKASVIM-ZDUSSCGKSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000882488584 584318927 /nfs/dbraw/zinc/31/89/27/584318927.db2.gz GQIQJOCMBWGRBV-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000882488584 584318928 /nfs/dbraw/zinc/31/89/28/584318928.db2.gz GQIQJOCMBWGRBV-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000882488584 584318931 /nfs/dbraw/zinc/31/89/31/584318931.db2.gz GQIQJOCMBWGRBV-QWHCGFSZSA-N 2 1 266.389 -0.413 20 0 CBADMP C[N@@H+](CCNc1cc[nH+]c(CO)c1)CCOCCO ZINC000882951280 584334721 /nfs/dbraw/zinc/33/47/21/584334721.db2.gz XKBAAARDWLUSES-UHFFFAOYSA-N 2 1 269.345 -0.074 20 0 CBADMP COCCOCC[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883434977 584342341 /nfs/dbraw/zinc/34/23/41/584342341.db2.gz GXMFLDBQABBBKN-KBPBESRZSA-N 2 1 289.395 -0.033 20 0 CBADMP CC(=O)N1C[C@@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)C[C@@H]2C1 ZINC000883448421 584343005 /nfs/dbraw/zinc/34/30/05/584343005.db2.gz FAAZIZDYPBADNL-OKILXGFUSA-N 2 1 294.399 -0.782 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)NCCOCC[NH+](C)C ZINC000883639537 584345740 /nfs/dbraw/zinc/34/57/40/584345740.db2.gz RMCMPXGDPLCRNZ-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000884206308 584366913 /nfs/dbraw/zinc/36/69/13/584366913.db2.gz RKWHKOJGIXNPNB-NWDGAFQWSA-N 2 1 273.377 -0.565 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884213781 584367588 /nfs/dbraw/zinc/36/75/88/584367588.db2.gz KYMQEHSBEPGVRM-VXGBXAGGSA-N 2 1 255.362 -0.049 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884218718 584368048 /nfs/dbraw/zinc/36/80/48/584368048.db2.gz WROXQIYXBJZJPF-CYBMUJFWSA-N 2 1 296.415 -0.217 20 0 CBADMP COCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000884290383 584372527 /nfs/dbraw/zinc/37/25/27/584372527.db2.gz ZKARTHPMPAVKMQ-JGVFFNPUSA-N 2 1 251.277 -0.584 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000884316176 584373711 /nfs/dbraw/zinc/37/37/11/584373711.db2.gz LOUMVFYLQIESON-TUAOUCFPSA-N 2 1 255.362 -0.097 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000884328614 584374587 /nfs/dbraw/zinc/37/45/87/584374587.db2.gz ULQBURJLSDKKHO-WOPDTQHZSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000884358191 584376167 /nfs/dbraw/zinc/37/61/67/584376167.db2.gz MEHBJATUVKTVAY-AXFHLTTASA-N 2 1 255.362 -0.051 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000884358191 584376170 /nfs/dbraw/zinc/37/61/70/584376170.db2.gz MEHBJATUVKTVAY-AXFHLTTASA-N 2 1 255.362 -0.051 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000884412645 584380117 /nfs/dbraw/zinc/38/01/17/584380117.db2.gz XHKZRUYGEWUADS-KGLIPLIRSA-N 2 1 298.431 -0.413 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000884412645 584380119 /nfs/dbraw/zinc/38/01/19/584380119.db2.gz XHKZRUYGEWUADS-KGLIPLIRSA-N 2 1 298.431 -0.413 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000884413507 584380207 /nfs/dbraw/zinc/38/02/07/584380207.db2.gz VLUCQQNVZBINCK-YNEHKIRRSA-N 2 1 297.399 -0.280 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000884545864 584387371 /nfs/dbraw/zinc/38/73/71/584387371.db2.gz UYPWFUJCUHNPNO-GFCCVEGCSA-N 2 1 293.371 -0.352 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000884617148 584391125 /nfs/dbraw/zinc/39/11/25/584391125.db2.gz ISQKPBPKJZUDOG-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[C@H]1CC[NH2+]C1 ZINC000884617150 584391143 /nfs/dbraw/zinc/39/11/43/584391143.db2.gz ISQKPBPKJZUDOG-YPMHNXCESA-N 2 1 296.415 -0.204 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884627054 584391810 /nfs/dbraw/zinc/39/18/10/584391810.db2.gz CIUVPYBXEYSOBB-GVXVVHGQSA-N 2 1 292.383 -0.840 20 0 CBADMP CC(C)([NH3+])CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000884627329 584391814 /nfs/dbraw/zinc/39/18/14/584391814.db2.gz MCUZCJSNEZGZLC-LLVKDONJSA-N 2 1 296.415 -0.170 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884659282 584393228 /nfs/dbraw/zinc/39/32/28/584393228.db2.gz NICYBXRLVNHSGP-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884669900 584393758 /nfs/dbraw/zinc/39/37/58/584393758.db2.gz JUDHHXIXIYWKMH-MROQNXINSA-N 2 1 294.399 -0.323 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884670271 584394056 /nfs/dbraw/zinc/39/40/56/584394056.db2.gz UJIWPUCHGMWWNV-FRRDWIJNSA-N 2 1 294.399 -0.321 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000884673746 584394522 /nfs/dbraw/zinc/39/45/22/584394522.db2.gz FDOKXZAAQMHGIM-AGIUHOORSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)CC1(C)C ZINC000884684587 584395958 /nfs/dbraw/zinc/39/59/58/584395958.db2.gz KAJWBYOCDCOVDX-UHFFFAOYSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)CC1(C)C ZINC000884684587 584395959 /nfs/dbraw/zinc/39/59/59/584395959.db2.gz KAJWBYOCDCOVDX-UHFFFAOYSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1(C)C ZINC000884686030 584396070 /nfs/dbraw/zinc/39/60/70/584396070.db2.gz WXDXTQOBOXKSRJ-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1(C)C ZINC000884686030 584396072 /nfs/dbraw/zinc/39/60/72/584396072.db2.gz WXDXTQOBOXKSRJ-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884703663 584398618 /nfs/dbraw/zinc/39/86/18/584398618.db2.gz GYSFSDZILPRSNJ-IJLUTSLNSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884703664 584398660 /nfs/dbraw/zinc/39/86/60/584398660.db2.gz GYSFSDZILPRSNJ-UTUOFQBUSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884703665 584398667 /nfs/dbraw/zinc/39/86/67/584398667.db2.gz GYSFSDZILPRSNJ-WOPDTQHZSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC[C@@H]21 ZINC000884706678 584399485 /nfs/dbraw/zinc/39/94/85/584399485.db2.gz KQMHIJNHBAGJEC-UPJWGTAASA-N 2 1 294.399 -0.608 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC[C@H]21 ZINC000884706677 584399635 /nfs/dbraw/zinc/39/96/35/584399635.db2.gz KQMHIJNHBAGJEC-JHJVBQTASA-N 2 1 294.399 -0.608 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[C@@H]21 ZINC000884709026 584399756 /nfs/dbraw/zinc/39/97/56/584399756.db2.gz SGUZWBXOULDVRU-MNOVXSKESA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000885872957 584429114 /nfs/dbraw/zinc/42/91/14/584429114.db2.gz NALQDRBQJUAIIB-ZIAGYGMSSA-N 2 1 297.399 -0.314 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000885872957 584429116 /nfs/dbraw/zinc/42/91/16/584429116.db2.gz NALQDRBQJUAIIB-ZIAGYGMSSA-N 2 1 297.399 -0.314 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000885872957 584429117 /nfs/dbraw/zinc/42/91/17/584429117.db2.gz NALQDRBQJUAIIB-ZIAGYGMSSA-N 2 1 297.399 -0.314 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000885872957 584429118 /nfs/dbraw/zinc/42/91/18/584429118.db2.gz NALQDRBQJUAIIB-ZIAGYGMSSA-N 2 1 297.399 -0.314 20 0 CBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])C2)C1 ZINC000887087940 584462754 /nfs/dbraw/zinc/46/27/54/584462754.db2.gz DEBVXGPATZHEMG-IUODEOHRSA-N 2 1 294.399 -0.510 20 0 CBADMP 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 584477099 /nfs/dbraw/zinc/47/70/99/584477099.db2.gz LXAZXOOBFCIXST-DHMWGJHJSA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@@H]2CN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)C[C@]2(C)C1 ZINC000887923056 584477102 /nfs/dbraw/zinc/47/71/02/584477102.db2.gz LXAZXOOBFCIXST-DHMWGJHJSA-N 2 1 281.400 -0.148 20 0 CBADMP C[NH+]1C[C@@H]2CN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)C[C@]2(C)C1 ZINC000887923056 584477103 /nfs/dbraw/zinc/47/71/03/584477103.db2.gz LXAZXOOBFCIXST-DHMWGJHJSA-N 2 1 281.400 -0.148 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)C[C@]2(C)C1 ZINC000887930779 584477664 /nfs/dbraw/zinc/47/76/64/584477664.db2.gz WRSJIVNGNJKBNH-YCPHGPKFSA-N 2 1 292.427 -0.214 20 0 CBADMP C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C[C@]2(C)C1 ZINC000887930779 584477665 /nfs/dbraw/zinc/47/76/65/584477665.db2.gz WRSJIVNGNJKBNH-YCPHGPKFSA-N 2 1 292.427 -0.214 20 0 CBADMP C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)C[C@]2(C)C1 ZINC000887930779 584477668 /nfs/dbraw/zinc/47/76/68/584477668.db2.gz WRSJIVNGNJKBNH-YCPHGPKFSA-N 2 1 292.427 -0.214 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)[NH+](C)C ZINC000889744156 584534699 /nfs/dbraw/zinc/53/46/99/584534699.db2.gz KPDBETSABZAPMX-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000889754866 584535675 /nfs/dbraw/zinc/53/56/75/584535675.db2.gz GQKSZMVKNXMDJU-MJBXVCDLSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000889754866 584535678 /nfs/dbraw/zinc/53/56/78/584535678.db2.gz GQKSZMVKNXMDJU-MJBXVCDLSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000889754866 584535680 /nfs/dbraw/zinc/53/56/80/584535680.db2.gz GQKSZMVKNXMDJU-MJBXVCDLSA-N 2 1 281.400 -0.004 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891492799 584582436 /nfs/dbraw/zinc/58/24/36/584582436.db2.gz JGALZLNACHFPME-GHMZBOCLSA-N 2 1 258.366 -0.304 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000891514718 584583309 /nfs/dbraw/zinc/58/33/09/584583309.db2.gz YEBXPKLSAJFCBO-VOAKCMCISA-N 2 1 282.388 -0.019 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891514439 584583326 /nfs/dbraw/zinc/58/33/26/584583326.db2.gz RPIGAMCKRASOHN-CRWXNKLISA-N 2 1 294.399 -0.005 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891540676 584584824 /nfs/dbraw/zinc/58/48/24/584584824.db2.gz XEDHJFLPROPKCT-MGPQQGTHSA-N 2 1 295.431 -0.232 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCC(C)(C)[NH3+] ZINC000891540795 584584966 /nfs/dbraw/zinc/58/49/66/584584966.db2.gz XQTHAMUPOGBXEG-LLVKDONJSA-N 2 1 271.409 -0.341 20 0 CBADMP C[N@H+]1CCN(CCNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1(C)C ZINC000891880982 584593552 /nfs/dbraw/zinc/59/35/52/584593552.db2.gz RCIPSSGMQPUKFE-STQMWFEESA-N 2 1 295.431 -0.232 20 0 CBADMP C[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000891992548 584597521 /nfs/dbraw/zinc/59/75/21/584597521.db2.gz KHJDQJBGNUQWPU-JTQLQIEISA-N 2 1 258.366 -0.650 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000892003879 584598590 /nfs/dbraw/zinc/59/85/90/584598590.db2.gz ZCHJKPTYNDGWOX-QWRGUYRKSA-N 2 1 270.377 -0.507 20 0 CBADMP CN1CCN(C(=O)N[C@H]2CCC[NH+](C)C2)CC[N@@H+](C)CC1 ZINC000892237712 584610948 /nfs/dbraw/zinc/61/09/48/584610948.db2.gz OKQPXOKFOOIZMG-AWEZNQCLSA-N 2 1 297.447 -0.031 20 0 CBADMP CN1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC[NH+](C)CC1 ZINC000892237712 584610950 /nfs/dbraw/zinc/61/09/50/584610950.db2.gz OKQPXOKFOOIZMG-AWEZNQCLSA-N 2 1 297.447 -0.031 20 0 CBADMP CN1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC[NH+](C)CC1 ZINC000892237712 584610952 /nfs/dbraw/zinc/61/09/52/584610952.db2.gz OKQPXOKFOOIZMG-AWEZNQCLSA-N 2 1 297.447 -0.031 20 0 CBADMP C[N@H+]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1(C)C ZINC000892289837 584613287 /nfs/dbraw/zinc/61/32/87/584613287.db2.gz NYQYXMYCKIWYOC-NSHDSACASA-N 2 1 270.377 -0.290 20 0 CBADMP Cc1cc(N)nc(N2CCC[N@H+](CCO)CC2)[nH+]1 ZINC000892337811 584615564 /nfs/dbraw/zinc/61/55/64/584615564.db2.gz CJGQURUOTSTSKZ-UHFFFAOYSA-N 2 1 251.334 -0.128 20 0 CBADMP Cc1cc(N)nc(N2CCC[N@@H+](CCO)CC2)[nH+]1 ZINC000892337811 584615566 /nfs/dbraw/zinc/61/55/66/584615566.db2.gz CJGQURUOTSTSKZ-UHFFFAOYSA-N 2 1 251.334 -0.128 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892546748 584618066 /nfs/dbraw/zinc/61/80/66/584618066.db2.gz LKSHDZLUWLWHAE-TUAOUCFPSA-N 2 1 284.404 -0.132 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892552606 584618335 /nfs/dbraw/zinc/61/83/35/584618335.db2.gz AMZWAPOZTNDQMN-SDDRHHMPSA-N 2 1 270.377 -0.568 20 0 CBADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000892551452 584618405 /nfs/dbraw/zinc/61/84/05/584618405.db2.gz ILSVZSKOLLAGHL-XQQFMLRXSA-N 2 1 284.404 -0.130 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000892553605 584618649 /nfs/dbraw/zinc/61/86/49/584618649.db2.gz PWIRSMWGCQYAPT-LPWJVIDDSA-N 2 1 284.404 -0.180 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000892570534 584619334 /nfs/dbraw/zinc/61/93/34/584619334.db2.gz PWIRSMWGCQYAPT-CYDGBPFRSA-N 2 1 284.404 -0.180 20 0 CBADMP O=C(NCC[NH+]1CCC(O)CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000893020761 584632656 /nfs/dbraw/zinc/63/26/56/584632656.db2.gz PZZUGYLNFJBPQT-GFCCVEGCSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3COCO3)cn2)CC1 ZINC000894875835 584666075 /nfs/dbraw/zinc/66/60/75/584666075.db2.gz IHBBDYFSXGVNNS-ZDUSSCGKSA-N 2 1 293.371 -0.309 20 0 CBADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]3COCO3)cn2)CC1 ZINC000894875834 584666176 /nfs/dbraw/zinc/66/61/76/584666176.db2.gz IHBBDYFSXGVNNS-CYBMUJFWSA-N 2 1 293.371 -0.309 20 0 CBADMP C[N@@H+](CCNc1cc[nH+]cc1CO)CCOCCO ZINC000895155824 584672034 /nfs/dbraw/zinc/67/20/34/584672034.db2.gz NWFUAGVBDLGNHB-UHFFFAOYSA-N 2 1 269.345 -0.652 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000895819314 584687694 /nfs/dbraw/zinc/68/76/94/584687694.db2.gz WNNDVOYMQZYIRT-YPMHNXCESA-N 2 1 267.373 -0.225 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895883395 584689136 /nfs/dbraw/zinc/68/91/36/584689136.db2.gz DRSSEIYJNOUVPL-STQMWFEESA-N 2 1 267.373 -0.083 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896324580 584695611 /nfs/dbraw/zinc/69/56/11/584695611.db2.gz FSMCSZIVKSLMDI-CYBMUJFWSA-N 2 1 299.440 -0.128 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN(C)CC[NH+](C)CC1 ZINC000896461668 584699504 /nfs/dbraw/zinc/69/95/04/584699504.db2.gz QCSBAFBNJMUDQY-CQSZACIVSA-N 2 1 297.447 -0.031 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000896461668 584699505 /nfs/dbraw/zinc/69/95/05/584699505.db2.gz QCSBAFBNJMUDQY-CQSZACIVSA-N 2 1 297.447 -0.031 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000896461668 584699506 /nfs/dbraw/zinc/69/95/06/584699506.db2.gz QCSBAFBNJMUDQY-CQSZACIVSA-N 2 1 297.447 -0.031 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896670805 584704456 /nfs/dbraw/zinc/70/44/56/584704456.db2.gz QDEIOKPYFYOBHN-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000897053032 584707706 /nfs/dbraw/zinc/70/77/06/584707706.db2.gz QGTOCWIQRXOTLR-GFCCVEGCSA-N 2 1 275.418 -0.061 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCCn1ccnc1 ZINC000897318636 584712915 /nfs/dbraw/zinc/71/29/15/584712915.db2.gz LJRFELPFDQHSPH-GFCCVEGCSA-N 2 1 293.371 -0.400 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCCn1ccnc1 ZINC000897318636 584712916 /nfs/dbraw/zinc/71/29/16/584712916.db2.gz LJRFELPFDQHSPH-GFCCVEGCSA-N 2 1 293.371 -0.400 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000897397991 584715096 /nfs/dbraw/zinc/71/50/96/584715096.db2.gz PJKGHBPOYISYCX-OAHLLOKOSA-N 2 1 297.399 -0.720 20 0 CBADMP COC(=O)[C@H](Cn1ccnc1)NC(=O)[C@H]1CCCN1C ZINC000897444138 584716393 /nfs/dbraw/zinc/71/63/93/584716393.db2.gz VWQCSHSJLWJVRP-WDEREUQCSA-N 2 1 280.328 -0.365 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000897559269 584720515 /nfs/dbraw/zinc/72/05/15/584720515.db2.gz GLCIRXMSWWZRDS-AAEUAGOBSA-N 2 1 294.399 -0.450 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000897559269 584720516 /nfs/dbraw/zinc/72/05/16/584720516.db2.gz GLCIRXMSWWZRDS-AAEUAGOBSA-N 2 1 294.399 -0.450 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000897559269 584720517 /nfs/dbraw/zinc/72/05/17/584720517.db2.gz GLCIRXMSWWZRDS-AAEUAGOBSA-N 2 1 294.399 -0.450 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000897559269 584720518 /nfs/dbraw/zinc/72/05/18/584720518.db2.gz GLCIRXMSWWZRDS-AAEUAGOBSA-N 2 1 294.399 -0.450 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000897786433 584724821 /nfs/dbraw/zinc/72/48/21/584724821.db2.gz URXGITVRHZJJEN-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000897786433 584724823 /nfs/dbraw/zinc/72/48/23/584724823.db2.gz URXGITVRHZJJEN-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+]1CCN(C(=O)CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000897834150 584725420 /nfs/dbraw/zinc/72/54/20/584725420.db2.gz CXGMPYIHHZSHIF-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[NH+]1CCN(C(=O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000897834150 584725422 /nfs/dbraw/zinc/72/54/22/584725422.db2.gz CXGMPYIHHZSHIF-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2CC)C1 ZINC000898127702 584731718 /nfs/dbraw/zinc/73/17/18/584731718.db2.gz ILQHLQJQZULIAE-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2CC)C1 ZINC000898127702 584731719 /nfs/dbraw/zinc/73/17/19/584731719.db2.gz ILQHLQJQZULIAE-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2CC)C1 ZINC000898127702 584731720 /nfs/dbraw/zinc/73/17/20/584731720.db2.gz ILQHLQJQZULIAE-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2CC)C1 ZINC000898127702 584731721 /nfs/dbraw/zinc/73/17/21/584731721.db2.gz ILQHLQJQZULIAE-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC000899064518 584749790 /nfs/dbraw/zinc/74/97/90/584749790.db2.gz YKXPPFNVYIMRFZ-CYBMUJFWSA-N 2 1 297.399 -0.107 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC000899064518 584749791 /nfs/dbraw/zinc/74/97/91/584749791.db2.gz YKXPPFNVYIMRFZ-CYBMUJFWSA-N 2 1 297.399 -0.107 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC000899064518 584749792 /nfs/dbraw/zinc/74/97/92/584749792.db2.gz YKXPPFNVYIMRFZ-CYBMUJFWSA-N 2 1 297.399 -0.107 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC000899064518 584749793 /nfs/dbraw/zinc/74/97/93/584749793.db2.gz YKXPPFNVYIMRFZ-CYBMUJFWSA-N 2 1 297.399 -0.107 20 0 CBADMP C[NH+](CC(=O)NCC[N@@H+](C)CCO)[C@@H]1CCSC1 ZINC000899736795 584777617 /nfs/dbraw/zinc/77/76/17/584777617.db2.gz VAZBUAFJYNKXDM-LLVKDONJSA-N 2 1 275.418 -0.536 20 0 CBADMP C[NH+](CCO)CCNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000899736795 584777619 /nfs/dbraw/zinc/77/76/19/584777619.db2.gz VAZBUAFJYNKXDM-LLVKDONJSA-N 2 1 275.418 -0.536 20 0 CBADMP C[NH+](CCO)CCNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000899736795 584777620 /nfs/dbraw/zinc/77/76/20/584777620.db2.gz VAZBUAFJYNKXDM-LLVKDONJSA-N 2 1 275.418 -0.536 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCO)CC[N@H+]1C ZINC000899741122 584779745 /nfs/dbraw/zinc/77/97/45/584779745.db2.gz SGRNUNVHCBPWEM-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)CCO)CC[NH+]1C ZINC000899741122 584779746 /nfs/dbraw/zinc/77/97/46/584779746.db2.gz SGRNUNVHCBPWEM-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)CCO)CC[NH+]1C ZINC000899741122 584779748 /nfs/dbraw/zinc/77/97/48/584779748.db2.gz SGRNUNVHCBPWEM-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP C[N@@H+]1CCC[C@@](O)(CC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000899921334 584785308 /nfs/dbraw/zinc/78/53/08/584785308.db2.gz UQDBLBASGBKQEQ-OAHLLOKOSA-N 2 1 299.415 -0.328 20 0 CBADMP C[N@H+]1CCC[C@@](O)(CC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000899921334 584785309 /nfs/dbraw/zinc/78/53/09/584785309.db2.gz UQDBLBASGBKQEQ-OAHLLOKOSA-N 2 1 299.415 -0.328 20 0 CBADMP C[C@@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)[NH+](C)C ZINC000900164152 584793473 /nfs/dbraw/zinc/79/34/73/584793473.db2.gz WXASEZSGHKHCMS-WCQYABFASA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)[NH+](C)C ZINC000900164150 584793635 /nfs/dbraw/zinc/79/36/35/584793635.db2.gz WXASEZSGHKHCMS-DGCLKSJQSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[NH+](C)C ZINC000900164154 584793743 /nfs/dbraw/zinc/79/37/43/584793743.db2.gz WXASEZSGHKHCMS-YPMHNXCESA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000900221402 584795847 /nfs/dbraw/zinc/79/58/47/584795847.db2.gz PGQBYZMWFLZWRY-HIFRSBDPSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000900305191 584799309 /nfs/dbraw/zinc/79/93/09/584799309.db2.gz GWDSJDCSQBXWQE-NTZNESFSSA-N 2 1 255.362 -0.491 20 0 CBADMP C[NH+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900305191 584799311 /nfs/dbraw/zinc/79/93/11/584799311.db2.gz GWDSJDCSQBXWQE-NTZNESFSSA-N 2 1 255.362 -0.491 20 0 CBADMP C[NH+]1CC[C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900305191 584799313 /nfs/dbraw/zinc/79/93/13/584799313.db2.gz GWDSJDCSQBXWQE-NTZNESFSSA-N 2 1 255.362 -0.491 20 0 CBADMP COCC[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900383746 584801559 /nfs/dbraw/zinc/80/15/59/584801559.db2.gz XLDMWXXUQGAFQK-ZFWWWQNUSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)CCn1ccc(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)n1 ZINC000900443479 584804700 /nfs/dbraw/zinc/80/47/00/584804700.db2.gz UTHWMSWTGNVWSC-FZMZJTMJSA-N 2 1 295.387 -0.162 20 0 CBADMP C[NH+](C)CCn1ccc(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)n1 ZINC000900443479 584804702 /nfs/dbraw/zinc/80/47/02/584804702.db2.gz UTHWMSWTGNVWSC-FZMZJTMJSA-N 2 1 295.387 -0.162 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900562444 584812314 /nfs/dbraw/zinc/81/23/14/584812314.db2.gz XORWQJZTALOFFT-OCCSQVGLSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900612385 584816340 /nfs/dbraw/zinc/81/63/40/584816340.db2.gz BVUZFNHBNPWPDK-NFAWXSAZSA-N 2 1 298.431 -0.806 20 0 CBADMP CC[N@H+]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC1 ZINC000900634116 584817772 /nfs/dbraw/zinc/81/77/72/584817772.db2.gz SCNAYAIYPDCAKL-TZMCWYRMSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[NH+]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900634116 584817773 /nfs/dbraw/zinc/81/77/73/584817773.db2.gz SCNAYAIYPDCAKL-TZMCWYRMSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[NH+]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900634116 584817776 /nfs/dbraw/zinc/81/77/76/584817776.db2.gz SCNAYAIYPDCAKL-TZMCWYRMSA-N 2 1 269.389 -0.004 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900684858 584821413 /nfs/dbraw/zinc/82/14/13/584821413.db2.gz WRVZCAJPQSJUPN-HNNXBMFYSA-N 2 1 299.415 -0.376 20 0 CBADMP COCC[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900684858 584821414 /nfs/dbraw/zinc/82/14/14/584821414.db2.gz WRVZCAJPQSJUPN-HNNXBMFYSA-N 2 1 299.415 -0.376 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900686621 584821537 /nfs/dbraw/zinc/82/15/37/584821537.db2.gz NOUSHMPGQMUGLI-ZFWWWQNUSA-N 2 1 298.431 -0.805 20 0 CBADMP C[N@H+](CC(=O)NCCC(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000900687594 584821861 /nfs/dbraw/zinc/82/18/61/584821861.db2.gz UDPCEQZESFHXAZ-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP C[N@@H+](CC(=O)NCCC(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000900687594 584821863 /nfs/dbraw/zinc/82/18/63/584821863.db2.gz UDPCEQZESFHXAZ-UHFFFAOYSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900694390 584822386 /nfs/dbraw/zinc/82/23/86/584822386.db2.gz HVXOBQDBGSBOIX-WZRBSPASSA-N 2 1 257.378 -0.102 20 0 CBADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900712094 584823972 /nfs/dbraw/zinc/82/39/72/584823972.db2.gz SBOOTDMSBIKASR-OUCADQQQSA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000901138966 584851696 /nfs/dbraw/zinc/85/16/96/584851696.db2.gz OYKXICXMJAPMQP-YDHLFZDLSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000901138966 584851698 /nfs/dbraw/zinc/85/16/98/584851698.db2.gz OYKXICXMJAPMQP-YDHLFZDLSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](NC(=O)C[C@@]1(O)CCC[NH+](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000901138966 584851699 /nfs/dbraw/zinc/85/16/99/584851699.db2.gz OYKXICXMJAPMQP-YDHLFZDLSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](NC(=O)C[C@@]1(O)CCC[NH+](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000901138966 584851701 /nfs/dbraw/zinc/85/17/01/584851701.db2.gz OYKXICXMJAPMQP-YDHLFZDLSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000901184258 584853928 /nfs/dbraw/zinc/85/39/28/584853928.db2.gz CLRRFUCZIOVZPC-ZIAGYGMSSA-N 2 1 287.404 -0.738 20 0 CBADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000902520954 584877799 /nfs/dbraw/zinc/87/77/99/584877799.db2.gz QARRUBZWRJRRBX-WDEREUQCSA-N 2 1 266.345 -0.073 20 0 CBADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(CO)COCCN2C)[C@@H](C)C1 ZINC000903278776 584889790 /nfs/dbraw/zinc/88/97/90/584889790.db2.gz HEFSJUHFXJPXNG-KKUMJFAQSA-N 2 1 285.432 -0.001 20 0 CBADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(CO)COCCN2C)[C@@H](C)C1 ZINC000903278779 584889817 /nfs/dbraw/zinc/88/98/17/584889817.db2.gz HEFSJUHFXJPXNG-SOUVJXGZSA-N 2 1 285.432 -0.001 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)N(C)C)C2 ZINC000903492610 584891611 /nfs/dbraw/zinc/89/16/11/584891611.db2.gz HOAFZYWGVVQWMN-CWSCBRNRSA-N 2 1 269.345 -0.713 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H]1CCCN(C)C1=O)C2 ZINC000903492428 584891617 /nfs/dbraw/zinc/89/16/17/584891617.db2.gz CSYKIAGAONWEQY-OXIQGZBJSA-N 2 1 295.383 -0.181 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cnn(C)n1)C2 ZINC000903492606 584891734 /nfs/dbraw/zinc/89/17/34/584891734.db2.gz HFIGPMMGGBEHRL-CWSCBRNRSA-N 2 1 279.344 -0.473 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cnn(C)n1)C2 ZINC000903492606 584891735 /nfs/dbraw/zinc/89/17/35/584891735.db2.gz HFIGPMMGGBEHRL-CWSCBRNRSA-N 2 1 279.344 -0.473 20 0 CBADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)C1=O ZINC000903495308 584891960 /nfs/dbraw/zinc/89/19/60/584891960.db2.gz ZWVKGHHUYARFFP-YFCNSXCBSA-N 2 1 295.383 -0.181 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903494699 584891963 /nfs/dbraw/zinc/89/19/63/584891963.db2.gz LFEKHHUFGSNBED-SFTQSGBHSA-N 3 1 267.373 -0.049 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903494699 584891965 /nfs/dbraw/zinc/89/19/65/584891965.db2.gz LFEKHHUFGSNBED-SFTQSGBHSA-N 3 1 267.373 -0.049 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C(=O)N(C)C ZINC000903496916 584892055 /nfs/dbraw/zinc/89/20/55/584892055.db2.gz KDQOCDNOWCALKR-GRYCIOLGSA-N 2 1 284.404 -0.504 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000903713615 584895453 /nfs/dbraw/zinc/89/54/53/584895453.db2.gz XQBZHSSLFPQYMJ-YIYPIFLZSA-N 2 1 297.399 -0.423 20 0 CBADMP O=C1NC[C@@H]2C[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCN12 ZINC000903735432 584896461 /nfs/dbraw/zinc/89/64/61/584896461.db2.gz ZXYPKKCLZUCLQB-DYEKYZERSA-N 2 1 280.372 -0.536 20 0 CBADMP O=C1NC[C@@H]2C[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCN12 ZINC000903735432 584896463 /nfs/dbraw/zinc/89/64/63/584896463.db2.gz ZXYPKKCLZUCLQB-DYEKYZERSA-N 2 1 280.372 -0.536 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903746309 584896986 /nfs/dbraw/zinc/89/69/86/584896986.db2.gz CCYPVESSBODTDG-FRRDWIJNSA-N 2 1 296.415 -0.265 20 0 CBADMP CN(C)C(=O)NCC[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903756051 584897630 /nfs/dbraw/zinc/89/76/30/584897630.db2.gz ONZTXJRYPPOGSI-JSGCOSHPSA-N 2 1 284.404 -0.042 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903768044 584898083 /nfs/dbraw/zinc/89/80/83/584898083.db2.gz PWBUHZQDMXIZJI-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903765481 584898086 /nfs/dbraw/zinc/89/80/86/584898086.db2.gz IFPDIXXKTQIPCX-XBFCOCLRSA-N 2 1 267.373 -0.048 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1(C)C ZINC000903776376 584899224 /nfs/dbraw/zinc/89/92/24/584899224.db2.gz LZFWLFXUBDLAKC-NSHDSACASA-N 2 1 296.415 -0.265 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1(C)C ZINC000903776376 584899226 /nfs/dbraw/zinc/89/92/26/584899226.db2.gz LZFWLFXUBDLAKC-NSHDSACASA-N 2 1 296.415 -0.265 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@H]2C1=O ZINC000903777906 584899300 /nfs/dbraw/zinc/89/93/00/584899300.db2.gz HFTDTFCWTGUBDJ-MCYUEQNJSA-N 2 1 293.367 -0.698 20 0 CBADMP COCC(COC)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903779448 584899331 /nfs/dbraw/zinc/89/93/31/584899331.db2.gz ZSBQJDXYEFEDOH-UHTWSYAYSA-N 2 1 299.371 -0.485 20 0 CBADMP COC[C@@H](C(N)=O)[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782377 584899499 /nfs/dbraw/zinc/89/94/99/584899499.db2.gz MCDLOKPHMGWCCX-GMXVVIOVSA-N 2 1 271.361 -0.813 20 0 CBADMP COC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782377 584899501 /nfs/dbraw/zinc/89/95/01/584899501.db2.gz MCDLOKPHMGWCCX-GMXVVIOVSA-N 2 1 271.361 -0.813 20 0 CBADMP NS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903788184 584899764 /nfs/dbraw/zinc/89/97/64/584899764.db2.gz DSRZAIKSGUIJPZ-VXGBXAGGSA-N 2 1 275.418 -0.014 20 0 CBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)C1 ZINC000903790045 584899950 /nfs/dbraw/zinc/89/99/50/584899950.db2.gz PNYYOFWESWIOMF-SWLSCSKDSA-N 2 1 294.399 -0.510 20 0 CBADMP O=S1(=O)C[C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)C[C@H]2C1 ZINC000903826890 584900917 /nfs/dbraw/zinc/90/09/17/584900917.db2.gz MRFNBVSZEOBQEO-UTUOFQBUSA-N 2 1 258.387 -0.038 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NC(=O)NC1CC1)C2 ZINC000903849327 584901916 /nfs/dbraw/zinc/90/19/16/584901916.db2.gz YKQIQEDGLFGEHV-QXEWZRGKSA-N 2 1 266.345 -0.214 20 0 CBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NC(=O)NC1CC1)C2 ZINC000903849327 584901917 /nfs/dbraw/zinc/90/19/17/584901917.db2.gz YKQIQEDGLFGEHV-QXEWZRGKSA-N 2 1 266.345 -0.214 20 0 CBADMP OCC[NH+]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903874301 584902927 /nfs/dbraw/zinc/90/29/27/584902927.db2.gz XODPNFBSHBGGOF-ZDUSSCGKSA-N 2 1 294.403 -0.688 20 0 CBADMP COC[C@H]1C[NH2+]CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000903880632 584903689 /nfs/dbraw/zinc/90/36/89/584903689.db2.gz KKGLXCYTUCJMRO-MCIONIFRSA-N 2 1 269.389 -0.230 20 0 CBADMP COC[C@H]1C[NH2+]CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000903880632 584903690 /nfs/dbraw/zinc/90/36/90/584903690.db2.gz KKGLXCYTUCJMRO-MCIONIFRSA-N 2 1 269.389 -0.230 20 0 CBADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](CCO)CCCO)cnn1C ZINC000903891774 584904070 /nfs/dbraw/zinc/90/40/70/584904070.db2.gz CRZGJVPNGCXXHZ-CYBMUJFWSA-N 2 1 284.404 -0.477 20 0 CBADMP CC[N@@H+](CC(N)=O)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903909721 584904368 /nfs/dbraw/zinc/90/43/68/584904368.db2.gz XUCNCYIPSWGHIU-LLVKDONJSA-N 2 1 267.377 -0.347 20 0 CBADMP CC[N@H+](CC(N)=O)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903909721 584904370 /nfs/dbraw/zinc/90/43/70/584904370.db2.gz XUCNCYIPSWGHIU-LLVKDONJSA-N 2 1 267.377 -0.347 20 0 CBADMP Cc1c(C[C@@H](C[NH3+])C[NH2+]CC(=O)NCC2CC2)cnn1C ZINC000903926535 584904751 /nfs/dbraw/zinc/90/47/51/584904751.db2.gz LUHYMFLTQJIVHM-ZDUSSCGKSA-N 2 1 293.415 -0.038 20 0 CBADMP C[C@H](C[NH3+])C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903919653 584904791 /nfs/dbraw/zinc/90/47/91/584904791.db2.gz PEVVCYSQXJDFKV-GHMZBOCLSA-N 3 1 252.366 -0.113 20 0 CBADMP C[C@@H](C[NH3+])C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903919656 584904815 /nfs/dbraw/zinc/90/48/15/584904815.db2.gz PEVVCYSQXJDFKV-WDEREUQCSA-N 3 1 252.366 -0.113 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000903976814 584905512 /nfs/dbraw/zinc/90/55/12/584905512.db2.gz BSTVPEIAXWMHEQ-MNURPVSASA-N 3 1 279.384 -0.049 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000903976814 584905513 /nfs/dbraw/zinc/90/55/13/584905513.db2.gz BSTVPEIAXWMHEQ-MNURPVSASA-N 3 1 279.384 -0.049 20 0 CBADMP C[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1CC[NH3+] ZINC000903977764 584905556 /nfs/dbraw/zinc/90/55/56/584905556.db2.gz YXSXPMWCVIFVMX-GHMZBOCLSA-N 2 1 280.372 -0.499 20 0 CBADMP CC(C)[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958593566 613887852 /nfs/dbraw/zinc/88/78/52/613887852.db2.gz AIDWFHDRESFDPV-STQMWFEESA-N 2 1 281.400 -0.101 20 0 CBADMP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958474166 613903362 /nfs/dbraw/zinc/90/33/62/613903362.db2.gz GXIPSCHRFWAHSG-QNWHQSFQSA-N 2 1 267.373 -0.228 20 0 CBADMP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958474166 613903363 /nfs/dbraw/zinc/90/33/63/613903363.db2.gz GXIPSCHRFWAHSG-QNWHQSFQSA-N 2 1 267.373 -0.228 20 0 CBADMP CC(C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000958474166 613903364 /nfs/dbraw/zinc/90/33/64/613903364.db2.gz GXIPSCHRFWAHSG-QNWHQSFQSA-N 2 1 267.373 -0.228 20 0 CBADMP CC(C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000958474166 613903366 /nfs/dbraw/zinc/90/33/66/613903366.db2.gz GXIPSCHRFWAHSG-QNWHQSFQSA-N 2 1 267.373 -0.228 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000969705552 614363691 /nfs/dbraw/zinc/36/36/91/614363691.db2.gz WILFOCYKBUHHLX-CHWSQXEVSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000969705552 614363692 /nfs/dbraw/zinc/36/36/92/614363692.db2.gz WILFOCYKBUHHLX-CHWSQXEVSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C2C[NH+](CCO)C2)C1 ZINC000970325577 614365775 /nfs/dbraw/zinc/36/57/75/614365775.db2.gz HRMMLXDZLXBIEV-OCCSQVGLSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C)C2C[NH+](CCO)C2)C1 ZINC000970325577 614365777 /nfs/dbraw/zinc/36/57/77/614365777.db2.gz HRMMLXDZLXBIEV-OCCSQVGLSA-N 2 1 299.415 -0.476 20 0 CBADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](C[C@H](C)O)C1 ZINC000957385965 614626223 /nfs/dbraw/zinc/62/62/23/614626223.db2.gz RSCGPHAKTOLNNT-NWDGAFQWSA-N 2 1 269.389 -0.148 20 0 CBADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](C[C@H](C)O)C1 ZINC000957385965 614626226 /nfs/dbraw/zinc/62/62/26/614626226.db2.gz RSCGPHAKTOLNNT-NWDGAFQWSA-N 2 1 269.389 -0.148 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958593878 614785651 /nfs/dbraw/zinc/78/56/51/614785651.db2.gz CGESKZWMTZWKPY-QWHCGFSZSA-N 2 1 281.400 -0.099 20 0 CBADMP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969072083 615120241 /nfs/dbraw/zinc/12/02/41/615120241.db2.gz WGILLVCWWTXCCV-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969072083 615120243 /nfs/dbraw/zinc/12/02/43/615120243.db2.gz WGILLVCWWTXCCV-IJLUTSLNSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C2C[NH+](CCCO)C2)C1 ZINC000970904315 615183701 /nfs/dbraw/zinc/18/37/01/615183701.db2.gz OJWJSCVKHWHRAN-JSGCOSHPSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C2C[NH+](CCCO)C2)C1 ZINC000970904315 615183702 /nfs/dbraw/zinc/18/37/02/615183702.db2.gz OJWJSCVKHWHRAN-JSGCOSHPSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960529687 615440190 /nfs/dbraw/zinc/44/01/90/615440190.db2.gz UFRRKMALUCKNGQ-LBELIVKGSA-N 2 1 267.373 -0.228 20 0 CBADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960529687 615440193 /nfs/dbraw/zinc/44/01/93/615440193.db2.gz UFRRKMALUCKNGQ-LBELIVKGSA-N 2 1 267.373 -0.228 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960529687 615440194 /nfs/dbraw/zinc/44/01/94/615440194.db2.gz UFRRKMALUCKNGQ-LBELIVKGSA-N 2 1 267.373 -0.228 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960529687 615440196 /nfs/dbraw/zinc/44/01/96/615440196.db2.gz UFRRKMALUCKNGQ-LBELIVKGSA-N 2 1 267.373 -0.228 20 0 CBADMP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC000969595033 615538332 /nfs/dbraw/zinc/53/83/32/615538332.db2.gz LIGJZSKVLHHIQZ-IJLUTSLNSA-N 2 1 282.388 -0.465 20 0 CBADMP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1)[NH+](C)C ZINC000969074879 615602625 /nfs/dbraw/zinc/60/26/25/615602625.db2.gz XVRMBJGCDGMJGK-DGCLKSJQSA-N 2 1 294.403 -0.154 20 0 CBADMP C[NH+](CC(=O)N1CCC[N@H+](CCO)CC1)C1CCC1 ZINC000981340411 616043428 /nfs/dbraw/zinc/04/34/28/616043428.db2.gz FIJBVLJZGRJRSA-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+](CC(=O)N1CCC[N@@H+](CCO)CC1)C1CCC1 ZINC000981340411 616043429 /nfs/dbraw/zinc/04/34/29/616043429.db2.gz FIJBVLJZGRJRSA-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)CCC1 ZINC000971678435 616054849 /nfs/dbraw/zinc/05/48/49/616054849.db2.gz MOQTYTJPBYZHJV-NSHDSACASA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)CCC1 ZINC000971678435 616054850 /nfs/dbraw/zinc/05/48/50/616054850.db2.gz MOQTYTJPBYZHJV-NSHDSACASA-N 2 1 282.388 -0.511 20 0 CBADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405838 616055062 /nfs/dbraw/zinc/05/50/62/616055062.db2.gz LABBLXMHBCNFJI-NSHDSACASA-N 2 1 268.361 -0.900 20 0 CBADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405838 616055063 /nfs/dbraw/zinc/05/50/63/616055063.db2.gz LABBLXMHBCNFJI-NSHDSACASA-N 2 1 268.361 -0.900 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971540082 616110592 /nfs/dbraw/zinc/11/05/92/616110592.db2.gz CEBNOKZVSVJSHI-ZIAGYGMSSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC000961952183 616168423 /nfs/dbraw/zinc/16/84/23/616168423.db2.gz AQESTCGMWLCVTO-JYAVWHMHSA-N 2 1 294.399 -0.750 20 0 CBADMP C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC000961952183 616168424 /nfs/dbraw/zinc/16/84/24/616168424.db2.gz AQESTCGMWLCVTO-JYAVWHMHSA-N 2 1 294.399 -0.750 20 0 CBADMP C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CC1 ZINC000961959748 616168517 /nfs/dbraw/zinc/16/85/17/616168517.db2.gz WRKSNLSNXWSJAS-NHAGDIPZSA-N 2 1 281.400 -0.243 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCC[NH+](CCO)C2 ZINC000981665673 616191658 /nfs/dbraw/zinc/19/16/58/616191658.db2.gz DQMUBSRGBVKYPV-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000981665673 616191659 /nfs/dbraw/zinc/19/16/59/616191659.db2.gz DQMUBSRGBVKYPV-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000981665673 616191660 /nfs/dbraw/zinc/19/16/60/616191660.db2.gz DQMUBSRGBVKYPV-CYBMUJFWSA-N 2 1 281.400 -0.003 20 0 CBADMP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000967923581 616192043 /nfs/dbraw/zinc/19/20/43/616192043.db2.gz ADHWYCYTDUBMOM-DGCLKSJQSA-N 2 1 292.387 -0.400 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC000967926519 616192047 /nfs/dbraw/zinc/19/20/47/616192047.db2.gz XMOJCXGVLXEDRB-CHWSQXEVSA-N 2 1 294.399 -0.497 20 0 CBADMP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000967923582 616209992 /nfs/dbraw/zinc/20/99/92/616209992.db2.gz ADHWYCYTDUBMOM-YPMHNXCESA-N 2 1 292.387 -0.400 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971201077 616210119 /nfs/dbraw/zinc/21/01/19/616210119.db2.gz LJKQIVIVBBBZCX-NEPJUHHUSA-N 2 1 255.362 -0.394 20 0 CBADMP C[NH+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000971201077 616210120 /nfs/dbraw/zinc/21/01/20/616210120.db2.gz LJKQIVIVBBBZCX-NEPJUHHUSA-N 2 1 255.362 -0.394 20 0 CBADMP C[NH+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000971201077 616210121 /nfs/dbraw/zinc/21/01/21/616210121.db2.gz LJKQIVIVBBBZCX-NEPJUHHUSA-N 2 1 255.362 -0.394 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940648272 616259703 /nfs/dbraw/zinc/25/97/03/616259703.db2.gz YQPNIIKUPSMXFP-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940648272 616259704 /nfs/dbraw/zinc/25/97/04/616259704.db2.gz YQPNIIKUPSMXFP-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCO)CC2(C)C)C1 ZINC000940648272 616259705 /nfs/dbraw/zinc/25/97/05/616259705.db2.gz YQPNIIKUPSMXFP-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCO)CC2(C)C)C1 ZINC000940648272 616259706 /nfs/dbraw/zinc/25/97/06/616259706.db2.gz YQPNIIKUPSMXFP-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP CN1CCO[C@H](C(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)C1 ZINC000972991277 616260174 /nfs/dbraw/zinc/26/01/74/616260174.db2.gz HQOQZLNRANXLHX-RYUDHWBXSA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980390206 616265354 /nfs/dbraw/zinc/26/53/54/616265354.db2.gz GAZIKMIFXNZVQT-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+](CCO)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980390206 616265355 /nfs/dbraw/zinc/26/53/55/616265355.db2.gz GAZIKMIFXNZVQT-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+](CCO)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980390206 616265356 /nfs/dbraw/zinc/26/53/56/616265356.db2.gz GAZIKMIFXNZVQT-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000970478632 616268921 /nfs/dbraw/zinc/26/89/21/616268921.db2.gz MPJISPSOPRDEFT-WDEREUQCSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000977599330 616376286 /nfs/dbraw/zinc/37/62/86/616376286.db2.gz LWPMEGJCCFOPAX-WDEREUQCSA-N 2 1 282.388 -0.750 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000962592641 616380113 /nfs/dbraw/zinc/38/01/13/616380113.db2.gz SSIXVSGSRZVEGF-WUHRBBMRSA-N 2 1 267.373 -0.633 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC000962592641 616380116 /nfs/dbraw/zinc/38/01/16/616380116.db2.gz SSIXVSGSRZVEGF-WUHRBBMRSA-N 2 1 267.373 -0.633 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC000962592641 616380118 /nfs/dbraw/zinc/38/01/18/616380118.db2.gz SSIXVSGSRZVEGF-WUHRBBMRSA-N 2 1 267.373 -0.633 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000970478629 616389195 /nfs/dbraw/zinc/38/91/95/616389195.db2.gz MPJISPSOPRDEFT-GHMZBOCLSA-N 2 1 268.361 -0.996 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944919732 616622663 /nfs/dbraw/zinc/62/26/63/616622663.db2.gz QGUDLHKOOQFVMJ-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC000960583884 616642838 /nfs/dbraw/zinc/64/28/38/616642838.db2.gz YMKZCGXJQRZZKE-KZVDOYCCSA-N 2 1 294.399 -0.737 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC000960583884 616642841 /nfs/dbraw/zinc/64/28/41/616642841.db2.gz YMKZCGXJQRZZKE-KZVDOYCCSA-N 2 1 294.399 -0.737 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000960583884 616642843 /nfs/dbraw/zinc/64/28/43/616642843.db2.gz YMKZCGXJQRZZKE-KZVDOYCCSA-N 2 1 294.399 -0.737 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000960583884 616642845 /nfs/dbraw/zinc/64/28/45/616642845.db2.gz YMKZCGXJQRZZKE-KZVDOYCCSA-N 2 1 294.399 -0.737 20 0 CBADMP C[N@H+]1CCN(S(=O)(=O)C2C[NH2+]C2)CCC1(C)C ZINC000712633012 656211383 /nfs/dbraw/zinc/21/13/83/656211383.db2.gz PZHHWQPWBZPFJW-UHFFFAOYSA-N 2 1 261.391 -0.296 20 0 CBADMP C[N@H+]1CC[C@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000923665122 658388470 /nfs/dbraw/zinc/38/84/70/658388470.db2.gz BUOKGLLELMQOSY-RYUDHWBXSA-N 2 1 288.417 -0.838 20 0 CBADMP C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CCOCCO ZINC000922111592 657994221 /nfs/dbraw/zinc/99/42/21/657994221.db2.gz YZCQBBBRTFCFFG-ZDUSSCGKSA-N 2 1 287.404 -0.615 20 0 CBADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CCOCCO ZINC000922111592 657994232 /nfs/dbraw/zinc/99/42/32/657994232.db2.gz YZCQBBBRTFCFFG-ZDUSSCGKSA-N 2 1 287.404 -0.615 20 0 CBADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CCOCCO ZINC000922111592 657994253 /nfs/dbraw/zinc/99/42/53/657994253.db2.gz YZCQBBBRTFCFFG-ZDUSSCGKSA-N 2 1 287.404 -0.615 20 0 CBADMP C[C@H]1[C@@H](NC(=O)NCCOCC[NH+](C)C)CC[N@H+]1C ZINC000922145263 658008166 /nfs/dbraw/zinc/00/81/66/658008166.db2.gz SFSKYMPLVUNHMS-RYUDHWBXSA-N 2 1 272.393 -0.044 20 0 CBADMP C[NH+](C)CCOCCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000922145233 658009053 /nfs/dbraw/zinc/00/90/53/658009053.db2.gz RCLPXAQUCOCZJT-NSHDSACASA-N 2 1 258.366 -0.432 20 0 CBADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H](O)C[N@@H+](C)CCOC ZINC000923352888 658225975 /nfs/dbraw/zinc/22/59/75/658225975.db2.gz TTXQLWOVWSFLDT-AVGNSLFASA-N 2 1 277.384 -0.443 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](n3ccnn3)C2)C1 ZINC000923381161 658244591 /nfs/dbraw/zinc/24/45/91/658244591.db2.gz FATRLNYKMMIVPI-USZNOCQGSA-N 2 1 251.334 -0.234 20 0 CBADMP [NH3+]CC[C@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000923485663 658304297 /nfs/dbraw/zinc/30/42/97/658304297.db2.gz KYFDAFDWIIMYIM-LBPRGKRZSA-N 2 1 255.362 -0.094 20 0 CBADMP C[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)CC[C@@H]1C[NH3+] ZINC000923488403 658305449 /nfs/dbraw/zinc/30/54/49/658305449.db2.gz FLMRTBXMZROAJU-GHMZBOCLSA-N 2 1 263.407 -0.206 20 0 CBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923486319 658305809 /nfs/dbraw/zinc/30/58/09/658305809.db2.gz PJIGHCYWJGTTOV-FRRDWIJNSA-N 2 1 296.415 -0.231 20 0 CBADMP NC(=O)C12CCC(CC1)[N@H+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923529303 658314864 /nfs/dbraw/zinc/31/48/64/658314864.db2.gz CMDNKUUILUVNGE-IQLKVPPVSA-N 2 1 265.357 -0.153 20 0 CBADMP O=S(=O)(N1CC[C@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000923639554 658369437 /nfs/dbraw/zinc/36/94/37/658369437.db2.gz QAVCKEGWJYBHHG-GFCCVEGCSA-N 2 1 288.417 -0.788 20 0 CBADMP C[NH+](C)C[C@H]1NC(=O)N(CC[N@@H+](C)C2CC2)C1=O ZINC000924523650 658609833 /nfs/dbraw/zinc/60/98/33/658609833.db2.gz DYHRXUZBXCHUQM-SNVBAGLBSA-N 2 1 254.334 -0.437 20 0 CBADMP CC[N@H+]1CC[C@@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925320968 658825442 /nfs/dbraw/zinc/82/54/42/658825442.db2.gz IGDGVEIGBIUPAM-NXEZZACHSA-N 2 1 254.334 -0.437 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)CC[N@H+]1C ZINC000925326625 658827012 /nfs/dbraw/zinc/82/70/12/658827012.db2.gz YWXHLEUVENVWNV-VXGBXAGGSA-N 2 1 284.404 -0.165 20 0 CBADMP OCCC[N@H+]1CCC[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925678527 658864352 /nfs/dbraw/zinc/86/43/52/658864352.db2.gz FPCMPWKKSDXQMB-CHWSQXEVSA-N 2 1 257.378 -0.589 20 0 CBADMP OCCC[N@H+]1CCC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925678128 658864490 /nfs/dbraw/zinc/86/44/90/658864490.db2.gz CNERUWYWVVMZOE-OLZOCXBDSA-N 2 1 257.378 -0.589 20 0 CBADMP CCOCCOC[C@H](O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925650657 658864522 /nfs/dbraw/zinc/86/45/22/658864522.db2.gz QIDIQXMFGLPEAM-XDSHMYFISA-N 2 1 284.400 -0.014 20 0 CBADMP CCOCCOC[C@H](O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925650655 658865036 /nfs/dbraw/zinc/86/50/36/658865036.db2.gz QIDIQXMFGLPEAM-MZHQWRCYSA-N 2 1 284.400 -0.014 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000925668674 658865090 /nfs/dbraw/zinc/86/50/90/658865090.db2.gz JSINOSUWEYOSSX-JQWIXIFHSA-N 2 1 253.350 -0.109 20 0 CBADMP CC1(C)[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925855596 658874428 /nfs/dbraw/zinc/87/44/28/658874428.db2.gz CXASWXNZANBWCD-WISYIIOYSA-N 2 1 290.429 -0.242 20 0 CBADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000928454514 659027265 /nfs/dbraw/zinc/02/72/65/659027265.db2.gz ZRAOZDPCILRUTL-AGIUHOORSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000928454514 659027271 /nfs/dbraw/zinc/02/72/71/659027271.db2.gz ZRAOZDPCILRUTL-AGIUHOORSA-N 2 1 268.405 -0.169 20 0 CBADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000929646415 659156981 /nfs/dbraw/zinc/15/69/81/659156981.db2.gz RKTODPPDGCEUCB-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000929646415 659156982 /nfs/dbraw/zinc/15/69/82/659156982.db2.gz RKTODPPDGCEUCB-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CCC(OCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000929100010 659090260 /nfs/dbraw/zinc/09/02/60/659090260.db2.gz IXZZGDOCCDXMSF-UHFFFAOYSA-N 2 1 255.362 -0.129 20 0 CBADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000929646416 659157068 /nfs/dbraw/zinc/15/70/68/659157068.db2.gz RKTODPPDGCEUCB-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000929646416 659157071 /nfs/dbraw/zinc/15/70/71/659157071.db2.gz RKTODPPDGCEUCB-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)C1=CC[NH+](C)CC1 ZINC000930651948 659316207 /nfs/dbraw/zinc/31/62/07/659316207.db2.gz CVTVDRIXIWRDOE-AAEUAGOBSA-N 2 1 294.399 -0.427 20 0 CBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C1=CC[NH+](C)CC1 ZINC000930651948 659316215 /nfs/dbraw/zinc/31/62/15/659316215.db2.gz CVTVDRIXIWRDOE-AAEUAGOBSA-N 2 1 294.399 -0.427 20 0 CBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+]1C)C1=CC[N@H+](C)CC1 ZINC000930651948 659316225 /nfs/dbraw/zinc/31/62/25/659316225.db2.gz CVTVDRIXIWRDOE-AAEUAGOBSA-N 2 1 294.399 -0.427 20 0 CBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+]1C)C1=CC[N@@H+](C)CC1 ZINC000930651948 659316230 /nfs/dbraw/zinc/31/62/30/659316230.db2.gz CVTVDRIXIWRDOE-AAEUAGOBSA-N 2 1 294.399 -0.427 20 0 CBADMP O[C@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1(O)CCC1 ZINC000931065770 659380885 /nfs/dbraw/zinc/38/08/85/659380885.db2.gz DXESAROQYBJGDI-UONOGXRCSA-N 2 1 284.400 -0.207 20 0 CBADMP O[C@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)C1(O)CCC1 ZINC000931065770 659380893 /nfs/dbraw/zinc/38/08/93/659380893.db2.gz DXESAROQYBJGDI-UONOGXRCSA-N 2 1 284.400 -0.207 20 0 CBADMP O[C@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1(O)CCC1 ZINC000931065771 659381579 /nfs/dbraw/zinc/38/15/79/659381579.db2.gz DXESAROQYBJGDI-ZIAGYGMSSA-N 2 1 284.400 -0.207 20 0 CBADMP O[C@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)C1(O)CCC1 ZINC000931065771 659381586 /nfs/dbraw/zinc/38/15/86/659381586.db2.gz DXESAROQYBJGDI-ZIAGYGMSSA-N 2 1 284.400 -0.207 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431268 659460636 /nfs/dbraw/zinc/46/06/36/659460636.db2.gz VUYMPNVVVJJQMR-VHSXEESVSA-N 2 1 254.334 -0.675 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431268 659460644 /nfs/dbraw/zinc/46/06/44/659460644.db2.gz VUYMPNVVVJJQMR-VHSXEESVSA-N 2 1 254.334 -0.675 20 0 CBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431268 659460648 /nfs/dbraw/zinc/46/06/48/659460648.db2.gz VUYMPNVVVJJQMR-VHSXEESVSA-N 2 1 254.334 -0.675 20 0 CBADMP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431268 659460659 /nfs/dbraw/zinc/46/06/59/659460659.db2.gz VUYMPNVVVJJQMR-VHSXEESVSA-N 2 1 254.334 -0.675 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440661 659464682 /nfs/dbraw/zinc/46/46/82/659464682.db2.gz ZZLZXOKMXOHTJD-QWHCGFSZSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)CN(C)C(=O)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440661 659464693 /nfs/dbraw/zinc/46/46/93/659464693.db2.gz ZZLZXOKMXOHTJD-QWHCGFSZSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)CN(C)C(=O)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440661 659464703 /nfs/dbraw/zinc/46/47/03/659464703.db2.gz ZZLZXOKMXOHTJD-QWHCGFSZSA-N 2 1 297.399 -0.109 20 0 CBADMP CON(C)C(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482429 659470982 /nfs/dbraw/zinc/47/09/82/659470982.db2.gz HLDATUOLUJRBDR-UHFFFAOYSA-N 2 1 259.350 -0.605 20 0 CBADMP C[NH+](C)CC1(O)CC[NH+](CCc2cn[nH]n2)CC1 ZINC000931480837 659472416 /nfs/dbraw/zinc/47/24/16/659472416.db2.gz KTQGQPJNHVOCIW-UHFFFAOYSA-N 2 1 253.350 -0.264 20 0 CBADMP C[N@@H+](CCCNC(=O)CNC(=O)C[NH3+])C1CCCCC1 ZINC000037901371 656004693 /nfs/dbraw/zinc/00/46/93/656004693.db2.gz MSBFVWZJKGCKEO-UHFFFAOYSA-N 2 1 284.404 -0.168 20 0 CBADMP CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000053245838 656025610 /nfs/dbraw/zinc/02/56/10/656025610.db2.gz YEXPJTSDPDXBOG-LLVKDONJSA-N 2 1 276.406 -0.838 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCCO1 ZINC000066244932 656036426 /nfs/dbraw/zinc/03/64/26/656036426.db2.gz BWDTZDGQPVURPY-GFCCVEGCSA-N 2 1 270.377 -0.208 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCCCNC1=O ZINC000071150176 656041352 /nfs/dbraw/zinc/04/13/52/656041352.db2.gz WJNYOKYSCBPIDI-LBPRGKRZSA-N 2 1 254.378 -0.508 20 0 CBADMP O[C@H](CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000091669930 656058796 /nfs/dbraw/zinc/05/87/96/656058796.db2.gz HWDXRDDAWKBHDY-KFWWJZLASA-N 2 1 283.416 -0.104 20 0 CBADMP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000093698372 656060967 /nfs/dbraw/zinc/06/09/67/656060967.db2.gz PLFPGIHALZBVOQ-NEPJUHHUSA-N 2 1 275.418 -0.061 20 0 CBADMP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000225319128 656106063 /nfs/dbraw/zinc/10/60/63/656106063.db2.gz PLFPGIHALZBVOQ-RYUDHWBXSA-N 2 1 275.418 -0.061 20 0 CBADMP CCOC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000225865971 656106632 /nfs/dbraw/zinc/10/66/32/656106632.db2.gz GWFXGHIAGSSXCS-VXGBXAGGSA-N 2 1 273.377 -0.829 20 0 CBADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](O)COCCOC)C1 ZINC000234384861 656114761 /nfs/dbraw/zinc/11/47/61/656114761.db2.gz IXKJKHTWXDDYCT-QWHCGFSZSA-N 2 1 260.378 -0.058 20 0 CBADMP C[N@H+]1CCC[C@@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000250592157 656122005 /nfs/dbraw/zinc/12/20/05/656122005.db2.gz HRGRKXWFLSXUIL-RYUDHWBXSA-N 2 1 275.418 0.000 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252600328 656123248 /nfs/dbraw/zinc/12/32/48/656123248.db2.gz LMIDITYHLLQYSN-CYDGBPFRSA-N 2 1 267.373 -0.036 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[C@@H](C)[NH3+])CC1 ZINC000261683408 656125806 /nfs/dbraw/zinc/12/58/06/656125806.db2.gz BQEBRPUHTMZFJT-LLVKDONJSA-N 2 1 284.404 -0.170 20 0 CBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000261701927 656126013 /nfs/dbraw/zinc/12/60/13/656126013.db2.gz CRLFNCUDWLXOJR-GHMZBOCLSA-N 2 1 271.361 -0.181 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000261701929 656126215 /nfs/dbraw/zinc/12/62/15/656126215.db2.gz CRLFNCUDWLXOJR-MNOVXSKESA-N 2 1 271.361 -0.181 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CCn1cccn1 ZINC000262122540 656128671 /nfs/dbraw/zinc/12/86/71/656128671.db2.gz NKNYVOVONBCFHH-UHFFFAOYSA-N 2 1 265.361 -0.363 20 0 CBADMP CC(C)[C@@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262156535 656129369 /nfs/dbraw/zinc/12/93/69/656129369.db2.gz PMSQEZNOTDMMJU-CYBMUJFWSA-N 2 1 282.388 -0.735 20 0 CBADMP CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262156535 656129371 /nfs/dbraw/zinc/12/93/71/656129371.db2.gz PMSQEZNOTDMMJU-CYBMUJFWSA-N 2 1 282.388 -0.735 20 0 CBADMP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000310839370 656144000 /nfs/dbraw/zinc/14/40/00/656144000.db2.gz HHMXWCPFFDYLJR-NWDGAFQWSA-N 2 1 253.346 -0.614 20 0 CBADMP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000310839370 656144002 /nfs/dbraw/zinc/14/40/02/656144002.db2.gz HHMXWCPFFDYLJR-NWDGAFQWSA-N 2 1 253.346 -0.614 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000310979810 656144871 /nfs/dbraw/zinc/14/48/71/656144871.db2.gz DUSKJOFPTBCMCW-GFCCVEGCSA-N 2 1 261.410 -0.158 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000310979810 656144867 /nfs/dbraw/zinc/14/48/67/656144867.db2.gz DUSKJOFPTBCMCW-GFCCVEGCSA-N 2 1 261.410 -0.158 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000310979810 656144870 /nfs/dbraw/zinc/14/48/70/656144870.db2.gz DUSKJOFPTBCMCW-GFCCVEGCSA-N 2 1 261.410 -0.158 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CCOCC1)CC1CC[NH+](C)CC1 ZINC000312149964 656147161 /nfs/dbraw/zinc/14/71/61/656147161.db2.gz MSUXOGKSXRZTID-HNNXBMFYSA-N 2 1 285.432 -0.047 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC000353428800 656161940 /nfs/dbraw/zinc/16/19/40/656161940.db2.gz FFDOASNGSLNSGX-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC000353428800 656161943 /nfs/dbraw/zinc/16/19/43/656161943.db2.gz FFDOASNGSLNSGX-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC000353428800 656161946 /nfs/dbraw/zinc/16/19/46/656161946.db2.gz FFDOASNGSLNSGX-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000353428800 656161951 /nfs/dbraw/zinc/16/19/51/656161951.db2.gz FFDOASNGSLNSGX-KGLIPLIRSA-N 2 1 299.415 -0.068 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)C1CC1 ZINC000419101415 656167121 /nfs/dbraw/zinc/16/71/21/656167121.db2.gz KBJLTJQLGNVGQQ-OAHLLOKOSA-N 2 1 294.399 -0.449 20 0 CBADMP CN1CCOC[C@@H]1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000700143019 656175532 /nfs/dbraw/zinc/17/55/32/656175532.db2.gz NQEUZGHAHFEMTO-VZKILSJISA-N 2 1 251.374 -0.097 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](N)C[NH+](C)C ZINC000702393009 656180580 /nfs/dbraw/zinc/18/05/80/656180580.db2.gz WRHNNVVOXYKHLO-AGIUHOORSA-N 2 1 268.405 -0.040 20 0 CBADMP C[N@H+]1C[C@@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702458658 656181237 /nfs/dbraw/zinc/18/12/37/656181237.db2.gz SDNFEYBKASXPEU-NEPJUHHUSA-N 2 1 288.417 -0.980 20 0 CBADMP CS(=O)(=O)N1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000703151854 656183115 /nfs/dbraw/zinc/18/31/15/656183115.db2.gz IDSOTOOJNFIOEI-PHIMTYICSA-N 2 1 261.391 -0.309 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000702952804 656182467 /nfs/dbraw/zinc/18/24/67/656182467.db2.gz JBFUFPQYCGKPHC-WOPDTQHZSA-N 2 1 275.418 -0.145 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000702952804 656182468 /nfs/dbraw/zinc/18/24/68/656182468.db2.gz JBFUFPQYCGKPHC-WOPDTQHZSA-N 2 1 275.418 -0.145 20 0 CBADMP CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000703166984 656183097 /nfs/dbraw/zinc/18/30/97/656183097.db2.gz KACSOCHRFDVCFB-VXGBXAGGSA-N 2 1 275.418 0.000 20 0 CBADMP CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000703166984 656183099 /nfs/dbraw/zinc/18/30/99/656183099.db2.gz KACSOCHRFDVCFB-VXGBXAGGSA-N 2 1 275.418 0.000 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH2+]C[C@@H]1C(C)C ZINC000704595596 656184575 /nfs/dbraw/zinc/18/45/75/656184575.db2.gz NKFKHOFVCWNYRW-UONOGXRCSA-N 2 1 273.421 -0.145 20 0 CBADMP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000710128318 656196906 /nfs/dbraw/zinc/19/69/06/656196906.db2.gz PEUSHDNCMFPIRT-SDDRHHMPSA-N 2 1 267.373 -0.036 20 0 CBADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000710570106 656198567 /nfs/dbraw/zinc/19/85/67/656198567.db2.gz GTBDENGPWLWGIN-UHFFFAOYSA-N 2 1 285.388 -0.766 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711358140 656207883 /nfs/dbraw/zinc/20/78/83/656207883.db2.gz ZYAGSJRNYBVXFQ-NFAWXSAZSA-N 2 1 280.416 -0.119 20 0 CBADMP CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)nn1 ZINC000714443930 656216040 /nfs/dbraw/zinc/21/60/40/656216040.db2.gz ASHVJEHQENLEBT-LLVKDONJSA-N 2 1 280.376 -0.415 20 0 CBADMP CCn1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)nn1 ZINC000714443930 656216044 /nfs/dbraw/zinc/21/60/44/656216044.db2.gz ASHVJEHQENLEBT-LLVKDONJSA-N 2 1 280.376 -0.415 20 0 CBADMP [NH3+]C[C@@H]1[C@H](C(=O)NCC[NH+]2CCSCC2)C1(F)F ZINC000715087216 656218601 /nfs/dbraw/zinc/21/86/01/656218601.db2.gz WIRCALOFCADHHH-RKDXNWHRSA-N 2 1 279.356 -0.009 20 0 CBADMP O=C(CC[NH2+]CC1CC1)N1CC[NH+](CCO)CC1 ZINC000717141631 656226007 /nfs/dbraw/zinc/22/60/07/656226007.db2.gz DIJSKJDVVYKNEE-UHFFFAOYSA-N 2 1 255.362 -0.487 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884720371 656254639 /nfs/dbraw/zinc/25/46/39/656254639.db2.gz MBBQMVCAOHHDGU-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884720371 656254643 /nfs/dbraw/zinc/25/46/43/656254643.db2.gz MBBQMVCAOHHDGU-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1(C)C ZINC000884791498 656255389 /nfs/dbraw/zinc/25/53/89/656255389.db2.gz VUNBTKORGLWXGI-UHFFFAOYSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1(C)C ZINC000884791498 656255392 /nfs/dbraw/zinc/25/53/92/656255392.db2.gz VUNBTKORGLWXGI-UHFFFAOYSA-N 2 1 294.399 -0.593 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885194754 656259910 /nfs/dbraw/zinc/25/99/10/656259910.db2.gz DCMVEVYCFUSZRJ-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000896621694 656291635 /nfs/dbraw/zinc/29/16/35/656291635.db2.gz XBAJOTIDLSINMH-MCIONIFRSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000896621694 656291637 /nfs/dbraw/zinc/29/16/37/656291637.db2.gz XBAJOTIDLSINMH-MCIONIFRSA-N 2 1 296.415 -0.069 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000896621694 656291640 /nfs/dbraw/zinc/29/16/40/656291640.db2.gz XBAJOTIDLSINMH-MCIONIFRSA-N 2 1 296.415 -0.069 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000897764836 656295108 /nfs/dbraw/zinc/29/51/08/656295108.db2.gz PXTKDCGEILYRSD-CHWSQXEVSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(C(C)(C)CO)CC1 ZINC000901227940 656317615 /nfs/dbraw/zinc/31/76/15/656317615.db2.gz JRDGBDGDFUZJQL-WFASDCNBSA-N 2 1 299.415 -0.643 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322959 656324128 /nfs/dbraw/zinc/32/41/28/656324128.db2.gz LCKCQSVGBNHBEH-FRRDWIJNSA-N 2 1 257.378 -0.651 20 0 CBADMP CNC(=O)NC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904380966 656326044 /nfs/dbraw/zinc/32/60/44/656326044.db2.gz QUFWVGXOMKGFMB-AXFHLTTASA-N 2 1 256.350 -0.647 20 0 CBADMP C[C@@]1(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904428426 656326538 /nfs/dbraw/zinc/32/65/38/656326538.db2.gz KHOSHKMZCQKZEO-NWDGAFQWSA-N 2 1 275.418 -0.014 20 0 CBADMP C[C@@H]1C[C@H](C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)CC[NH2+]1 ZINC000904433924 656327365 /nfs/dbraw/zinc/32/73/65/656327365.db2.gz QWNTYEZOHNTVMV-IJLUTSLNSA-N 2 1 288.417 -0.791 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NCCCn2ccnc2)C1 ZINC000905045665 656336005 /nfs/dbraw/zinc/33/60/05/656336005.db2.gz DBWKYSAWGKBBCO-UHFFFAOYSA-N 2 1 279.388 -0.117 20 0 CBADMP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1(O)CCOCC1 ZINC000905060956 656336664 /nfs/dbraw/zinc/33/66/64/656336664.db2.gz ZMVJSXYIAMQCIF-GXTWGEPZSA-N 2 1 284.400 -0.037 20 0 CBADMP O[C@H](CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1(O)CCC1 ZINC000905077320 656336925 /nfs/dbraw/zinc/33/69/25/656336925.db2.gz XCYGHMHPYRQTFW-JHJVBQTASA-N 2 1 270.373 -0.285 20 0 CBADMP O[C@H](CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1(O)CCC1 ZINC000905077322 656337381 /nfs/dbraw/zinc/33/73/81/656337381.db2.gz XCYGHMHPYRQTFW-YNEHKIRRSA-N 2 1 270.373 -0.285 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@](C)(O)C(F)F)CC1 ZINC000905108465 656338758 /nfs/dbraw/zinc/33/87/58/656338758.db2.gz AJVBZRYPKVSUPJ-GFCCVEGCSA-N 2 1 279.331 -0.244 20 0 CBADMP O[C@@H](C[NH2+]C[C@H](O)C1(O)CCC1)C[NH+]1CCCCC1 ZINC000905343291 656350445 /nfs/dbraw/zinc/35/04/45/656350445.db2.gz YQEQMMKVSSTEDK-STQMWFEESA-N 2 1 272.389 -0.301 20 0 CBADMP O[C@H](C[NH2+]C[C@H](O)C1(O)CCC1)C[NH+]1CCCC1 ZINC000905344592 656351182 /nfs/dbraw/zinc/35/11/82/656351182.db2.gz KHDGRHYWYJRUGL-NEPJUHHUSA-N 2 1 258.362 -0.691 20 0 CBADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C1(O)CCCC1 ZINC000905346413 656351524 /nfs/dbraw/zinc/35/15/24/656351524.db2.gz QEZMJVMQCLWXES-QWHCGFSZSA-N 2 1 272.389 -0.301 20 0 CBADMP CC1(C)CN(S(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000905348358 656351911 /nfs/dbraw/zinc/35/19/11/656351911.db2.gz WCJPXCVSCOMDFY-UHFFFAOYSA-N 2 1 275.418 0.000 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)C[C@H]1CCCO1)C1CC1 ZINC000905460523 656358306 /nfs/dbraw/zinc/35/83/06/656358306.db2.gz MCUWNQOYAULUHA-IACUBPJLSA-N 2 1 272.389 -0.039 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)C[C@H]1CCCO1)C1CC1 ZINC000905460523 656358311 /nfs/dbraw/zinc/35/83/11/656358311.db2.gz MCUWNQOYAULUHA-IACUBPJLSA-N 2 1 272.389 -0.039 20 0 CBADMP CCO[C@@H](C[NH2+]CCC(=O)N(C)OC)C[NH+](C)C ZINC000905578601 656362811 /nfs/dbraw/zinc/36/28/11/656362811.db2.gz FGGIFTKJUWWBSM-NSHDSACASA-N 2 1 261.366 -0.047 20 0 CBADMP O[C@H](C[NH2+]CCO[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000905606160 656363578 /nfs/dbraw/zinc/36/35/78/656363578.db2.gz DEJDHCFPASWDGT-CHWSQXEVSA-N 2 1 258.362 -0.162 20 0 CBADMP Cn1nnc2c1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)CC2 ZINC000905631928 656364132 /nfs/dbraw/zinc/36/41/32/656364132.db2.gz CRCZSMQOOMTXIF-PWSUYJOCSA-N 2 1 279.388 -0.283 20 0 CBADMP Cn1nnc2c1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000905631928 656364133 /nfs/dbraw/zinc/36/41/33/656364133.db2.gz CRCZSMQOOMTXIF-PWSUYJOCSA-N 2 1 279.388 -0.283 20 0 CBADMP Cn1nnc2c1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000905631929 656364363 /nfs/dbraw/zinc/36/43/63/656364363.db2.gz CRCZSMQOOMTXIF-ZYHUDNBSSA-N 2 1 279.388 -0.283 20 0 CBADMP Cn1nnc2c1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000905631929 656364364 /nfs/dbraw/zinc/36/43/64/656364364.db2.gz CRCZSMQOOMTXIF-ZYHUDNBSSA-N 2 1 279.388 -0.283 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]CCCn1ccc(=O)[nH]c1=O)C1CC1 ZINC000905701865 656365885 /nfs/dbraw/zinc/36/58/85/656365885.db2.gz KREZFHQREUOZDG-GFCCVEGCSA-N 2 1 296.371 -0.616 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]CCCn1ccc(=O)[nH]c1=O)C1CC1 ZINC000905701865 656365888 /nfs/dbraw/zinc/36/58/88/656365888.db2.gz KREZFHQREUOZDG-GFCCVEGCSA-N 2 1 296.371 -0.616 20 0 CBADMP C[C@@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)[NH+](C)C ZINC000906073672 656378209 /nfs/dbraw/zinc/37/82/09/656378209.db2.gz RIYYHTCWPAMRCE-NSHDSACASA-N 2 1 256.394 -0.454 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000906622109 656394649 /nfs/dbraw/zinc/39/46/49/656394649.db2.gz OWEOEYDCQNQNQO-CYBMUJFWSA-N 2 1 282.432 -0.062 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000906622109 656394653 /nfs/dbraw/zinc/39/46/53/656394653.db2.gz OWEOEYDCQNQNQO-CYBMUJFWSA-N 2 1 282.432 -0.062 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000906622109 656394656 /nfs/dbraw/zinc/39/46/56/656394656.db2.gz OWEOEYDCQNQNQO-CYBMUJFWSA-N 2 1 282.432 -0.062 20 0 CBADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000906785851 656400581 /nfs/dbraw/zinc/40/05/81/656400581.db2.gz QDOWJGFFWQKONJ-GFCCVEGCSA-N 2 1 276.340 -0.096 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996517088 656417515 /nfs/dbraw/zinc/41/75/15/656417515.db2.gz DEFOMPVJKWXMER-RYUDHWBXSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)CC[N@H+]1C ZINC000996602734 656447122 /nfs/dbraw/zinc/44/71/22/656447122.db2.gz GCMVDBMGEACFQY-QWHCGFSZSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996658898 656450050 /nfs/dbraw/zinc/45/00/50/656450050.db2.gz DISPJEXOQATLCV-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996729354 656454773 /nfs/dbraw/zinc/45/47/73/656454773.db2.gz NRWMCLXLQVLYPY-LBPRGKRZSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H]([NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1)C(N)=O ZINC000997008009 656463448 /nfs/dbraw/zinc/46/34/48/656463448.db2.gz SVSWAPVATGKIHB-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]([NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1)C(N)=O ZINC000996997076 656463610 /nfs/dbraw/zinc/46/36/10/656463610.db2.gz DZBGAFPVZDGQMJ-NWDGAFQWSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996993841 656463686 /nfs/dbraw/zinc/46/36/86/656463686.db2.gz GCCPNBNBESFBHF-NSHDSACASA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000997179162 656469551 /nfs/dbraw/zinc/46/95/51/656469551.db2.gz GUVKRGSZOOIMLH-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H]([NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC000997179911 656469636 /nfs/dbraw/zinc/46/96/36/656469636.db2.gz MBSOYBTWWYTDQO-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997299520 656471777 /nfs/dbraw/zinc/47/17/77/656471777.db2.gz OTVWKGGLTYDZEQ-VXGBXAGGSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997368924 656474560 /nfs/dbraw/zinc/47/45/60/656474560.db2.gz XFCJTPDODPROBO-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP Cn1cncc1CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000907309000 656486100 /nfs/dbraw/zinc/48/61/00/656486100.db2.gz YIPOBFBYAGAOSP-AAEUAGOBSA-N 2 1 266.345 -0.466 20 0 CBADMP Cn1cncc1CCNC(=O)[C@]1(C)C[C@H](O)CN1C ZINC000907309000 656486111 /nfs/dbraw/zinc/48/61/11/656486111.db2.gz YIPOBFBYAGAOSP-AAEUAGOBSA-N 2 1 266.345 -0.466 20 0 CBADMP C[NH+]1CC2(C1)CCN(C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)C2 ZINC000907762550 656570623 /nfs/dbraw/zinc/57/06/23/656570623.db2.gz FRHHHXKHZVHNSH-WCQYABFASA-N 2 1 267.373 -0.394 20 0 CBADMP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000907762841 656572099 /nfs/dbraw/zinc/57/20/99/656572099.db2.gz GCAVIBKVWKABIZ-SMDDNHRTSA-N 2 1 293.371 -0.487 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000907762841 656572102 /nfs/dbraw/zinc/57/21/02/656572102.db2.gz GCAVIBKVWKABIZ-SMDDNHRTSA-N 2 1 293.371 -0.487 20 0 CBADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000907780438 656574180 /nfs/dbraw/zinc/57/41/80/656574180.db2.gz FBBLMYUKFVSGLG-NWANDNLSSA-N 2 1 299.415 -0.643 20 0 CBADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC([NH2+]CC(N)=O)C1 ZINC000998995062 656600678 /nfs/dbraw/zinc/60/06/78/656600678.db2.gz OTARKLNMCYRVHY-HTAVTVPLSA-N 2 1 282.388 -0.465 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999146465 656612772 /nfs/dbraw/zinc/61/27/72/656612772.db2.gz WJGGGTFIWSTEDC-CHWSQXEVSA-N 2 1 296.415 -0.075 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)C12CC[NH+](CC1)C2 ZINC000908030541 656627407 /nfs/dbraw/zinc/62/74/07/656627407.db2.gz XVVFDLWFHMUAIR-CYBMUJFWSA-N 2 1 278.400 -0.412 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999404124 656628689 /nfs/dbraw/zinc/62/86/89/656628689.db2.gz ZELNDKUAQNQACI-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)O1 ZINC000999497616 656630942 /nfs/dbraw/zinc/63/09/42/656630942.db2.gz RPJRBHOLPBLSJY-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)O1 ZINC000999497616 656630946 /nfs/dbraw/zinc/63/09/46/656630946.db2.gz RPJRBHOLPBLSJY-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999513265 656631668 /nfs/dbraw/zinc/63/16/68/656631668.db2.gz RSJROXANOJKGGD-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC000999715919 656648079 /nfs/dbraw/zinc/64/80/79/656648079.db2.gz YEDKGBQRQKEGHP-VXGBXAGGSA-N 2 1 293.371 -0.354 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000908204390 656670567 /nfs/dbraw/zinc/67/05/67/656670567.db2.gz VFABHNIWLMLRQX-KYEXWDHISA-N 2 1 297.399 -0.891 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908204390 656670576 /nfs/dbraw/zinc/67/05/76/656670576.db2.gz VFABHNIWLMLRQX-KYEXWDHISA-N 2 1 297.399 -0.891 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000908204390 656670583 /nfs/dbraw/zinc/67/05/83/656670583.db2.gz VFABHNIWLMLRQX-KYEXWDHISA-N 2 1 297.399 -0.891 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908206964 656674524 /nfs/dbraw/zinc/67/45/24/656674524.db2.gz CZKJBBKMHZGJAK-OUCADQQQSA-N 2 1 285.388 -0.986 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908206964 656674532 /nfs/dbraw/zinc/67/45/32/656674532.db2.gz CZKJBBKMHZGJAK-OUCADQQQSA-N 2 1 285.388 -0.986 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000192518 656701269 /nfs/dbraw/zinc/70/12/69/656701269.db2.gz MQTAMDZHEFJYFT-NEPJUHHUSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000908363564 656712949 /nfs/dbraw/zinc/71/29/49/656712949.db2.gz RCLLAUXHDGSHCC-SNPRPXQTSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)C2)C1 ZINC000908363564 656712956 /nfs/dbraw/zinc/71/29/56/656712956.db2.gz RCLLAUXHDGSHCC-SNPRPXQTSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)C2)C1 ZINC000908363564 656712963 /nfs/dbraw/zinc/71/29/63/656712963.db2.gz RCLLAUXHDGSHCC-SNPRPXQTSA-N 2 1 281.400 -0.004 20 0 CBADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908414686 656722638 /nfs/dbraw/zinc/72/26/38/656722638.db2.gz KRGDNLLYCRPTTG-BYNQJWBRSA-N 2 1 269.389 -0.008 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001000522335 656733381 /nfs/dbraw/zinc/73/33/81/656733381.db2.gz PXEUTHXGJPDVER-GFCCVEGCSA-N 2 1 280.372 -0.686 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001000522335 656733386 /nfs/dbraw/zinc/73/33/86/656733386.db2.gz PXEUTHXGJPDVER-GFCCVEGCSA-N 2 1 280.372 -0.686 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001000522335 656733393 /nfs/dbraw/zinc/73/33/93/656733393.db2.gz PXEUTHXGJPDVER-GFCCVEGCSA-N 2 1 280.372 -0.686 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001000522335 656733398 /nfs/dbraw/zinc/73/33/98/656733398.db2.gz PXEUTHXGJPDVER-GFCCVEGCSA-N 2 1 280.372 -0.686 20 0 CBADMP CN1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000908539881 656744154 /nfs/dbraw/zinc/74/41/54/656744154.db2.gz DIAHUNXZCWGVDB-GZBFAFLISA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000908539881 656744160 /nfs/dbraw/zinc/74/41/60/656744160.db2.gz DIAHUNXZCWGVDB-GZBFAFLISA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000908539881 656744164 /nfs/dbraw/zinc/74/41/64/656744164.db2.gz DIAHUNXZCWGVDB-GZBFAFLISA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000908539881 656744167 /nfs/dbraw/zinc/74/41/67/656744167.db2.gz DIAHUNXZCWGVDB-GZBFAFLISA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CCO)CC2)O1 ZINC001000836350 656769090 /nfs/dbraw/zinc/76/90/90/656769090.db2.gz HTXYDPRGLUKERR-TZMCWYRMSA-N 2 1 297.399 -0.554 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CCO)CC2)O1 ZINC001000836350 656769096 /nfs/dbraw/zinc/76/90/96/656769096.db2.gz HTXYDPRGLUKERR-TZMCWYRMSA-N 2 1 297.399 -0.554 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@H+](CCO)CC2)O1 ZINC001000836350 656769101 /nfs/dbraw/zinc/76/91/01/656769101.db2.gz HTXYDPRGLUKERR-TZMCWYRMSA-N 2 1 297.399 -0.554 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@@H+](CCO)CC2)O1 ZINC001000836350 656769105 /nfs/dbraw/zinc/76/91/05/656769105.db2.gz HTXYDPRGLUKERR-TZMCWYRMSA-N 2 1 297.399 -0.554 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001000919795 656774109 /nfs/dbraw/zinc/77/41/09/656774109.db2.gz MZBPWYUTMABEGC-LLVKDONJSA-N 2 1 279.344 -0.743 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000979784 656779708 /nfs/dbraw/zinc/77/97/08/656779708.db2.gz TVTZBUUWNOAAKV-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000979784 656779718 /nfs/dbraw/zinc/77/97/18/656779718.db2.gz TVTZBUUWNOAAKV-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP 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 656784454 /nfs/dbraw/zinc/78/44/54/656784454.db2.gz MRAUQDPVTZZKHA-MXYBEHONSA-N 2 1 281.400 -0.148 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001001007448 656785704 /nfs/dbraw/zinc/78/57/04/656785704.db2.gz KMYIJFGCAWWGRX-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001001153890 656800905 /nfs/dbraw/zinc/80/09/05/656800905.db2.gz XYBDTBYRCWCENG-WCQYABFASA-N 2 1 294.399 -0.582 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001001153890 656800908 /nfs/dbraw/zinc/80/09/08/656800908.db2.gz XYBDTBYRCWCENG-WCQYABFASA-N 2 1 294.399 -0.582 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001001153890 656800910 /nfs/dbraw/zinc/80/09/10/656800910.db2.gz XYBDTBYRCWCENG-WCQYABFASA-N 2 1 294.399 -0.582 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001001153890 656800915 /nfs/dbraw/zinc/80/09/15/656800915.db2.gz XYBDTBYRCWCENG-WCQYABFASA-N 2 1 294.399 -0.582 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CC[NH+](CCO)CC1 ZINC001001151133 656801384 /nfs/dbraw/zinc/80/13/84/656801384.db2.gz LCWZJFCRQMWWHM-JSGCOSHPSA-N 2 1 281.400 -0.075 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NCC1=CC[N@H+](CCO)CC1 ZINC001001151133 656801386 /nfs/dbraw/zinc/80/13/86/656801386.db2.gz LCWZJFCRQMWWHM-JSGCOSHPSA-N 2 1 281.400 -0.075 20 0 CBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001001151133 656801392 /nfs/dbraw/zinc/80/13/92/656801392.db2.gz LCWZJFCRQMWWHM-JSGCOSHPSA-N 2 1 281.400 -0.075 20 0 CBADMP CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001001237718 656803850 /nfs/dbraw/zinc/80/38/50/656803850.db2.gz JNHPZYDIRGKPIM-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP O=C(CNC(=O)C[NH+]1CCCC1)NCC[NH+]1CCCCC1 ZINC000909320352 656806912 /nfs/dbraw/zinc/80/69/12/656806912.db2.gz ILDKQUJLESNKFC-UHFFFAOYSA-N 2 1 296.415 -0.200 20 0 CBADMP NC(=O)C[N@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001001376501 656809730 /nfs/dbraw/zinc/80/97/30/656809730.db2.gz NOMZMSYVAAGLJS-UHFFFAOYSA-N 2 1 292.383 -0.684 20 0 CBADMP NC(=O)C[N@@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001001376501 656809732 /nfs/dbraw/zinc/80/97/32/656809732.db2.gz NOMZMSYVAAGLJS-UHFFFAOYSA-N 2 1 292.383 -0.684 20 0 CBADMP CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002119676 656826564 /nfs/dbraw/zinc/82/65/64/656826564.db2.gz CSBYFBHBYODKEJ-CYBMUJFWSA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002119495 656826765 /nfs/dbraw/zinc/82/67/65/656826765.db2.gz ARWBISMIIFQEON-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP COC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002536409 656836141 /nfs/dbraw/zinc/83/61/41/656836141.db2.gz RBVNKVIVUUEKOU-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002536409 656836143 /nfs/dbraw/zinc/83/61/43/656836143.db2.gz RBVNKVIVUUEKOU-TZMCWYRMSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002852011 656842106 /nfs/dbraw/zinc/84/21/06/656842106.db2.gz NOLFHSYLRPZVNV-NTZNESFSSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002852011 656842110 /nfs/dbraw/zinc/84/21/10/656842110.db2.gz NOLFHSYLRPZVNV-NTZNESFSSA-N 2 1 296.415 -0.219 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[N@@H+](C)C1 ZINC000910413487 656856710 /nfs/dbraw/zinc/85/67/10/656856710.db2.gz LUBMWDLHDHWXEF-LBPRGKRZSA-N 2 1 295.383 -0.355 20 0 CBADMP C[NH+]1CCC(CC(=O)NC2CC[NH+](CC(N)=O)CC2)CC1 ZINC001003744493 656871602 /nfs/dbraw/zinc/87/16/02/656871602.db2.gz GPOQMSXAIVXWFI-UHFFFAOYSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000910553479 656874041 /nfs/dbraw/zinc/87/40/41/656874041.db2.gz DUCLEMBDTSMXHF-LLVKDONJSA-N 2 1 270.377 -0.783 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000910553479 656874047 /nfs/dbraw/zinc/87/40/47/656874047.db2.gz DUCLEMBDTSMXHF-LLVKDONJSA-N 2 1 270.377 -0.783 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003971427 656878838 /nfs/dbraw/zinc/87/88/38/656878838.db2.gz PEUKYKKUQLIOSW-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003971427 656878839 /nfs/dbraw/zinc/87/88/39/656878839.db2.gz PEUKYKKUQLIOSW-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004147033 656881911 /nfs/dbraw/zinc/88/19/11/656881911.db2.gz CJRQFLHVZWIPAP-DGCLKSJQSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCCO)CC2)C1 ZINC001004150409 656881936 /nfs/dbraw/zinc/88/19/36/656881936.db2.gz SDBNHNCVSMXEIW-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](CCCO)CC1 ZINC001005208081 656895814 /nfs/dbraw/zinc/89/58/14/656895814.db2.gz BABGXANPPVKETA-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCCO)CC1 ZINC001005208081 656895817 /nfs/dbraw/zinc/89/58/17/656895817.db2.gz BABGXANPPVKETA-CQSZACIVSA-N 2 1 299.415 -0.378 20 0 CBADMP 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 656928110 /nfs/dbraw/zinc/92/81/10/656928110.db2.gz IXSCHEDDZWFYIR-CKIKVBCHSA-N 2 1 294.399 -0.406 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000911061423 656938186 /nfs/dbraw/zinc/93/81/86/656938186.db2.gz REZZJYXUWMWFQF-IAQYHMDHSA-N 2 1 294.399 -0.463 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000911061428 656938469 /nfs/dbraw/zinc/93/84/69/656938469.db2.gz REZZJYXUWMWFQF-XHDPSFHLSA-N 2 1 294.399 -0.463 20 0 CBADMP CC1(C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1[NH3+] ZINC000911072242 656939023 /nfs/dbraw/zinc/93/90/23/656939023.db2.gz HOUCSAIRBNKHKT-ZYHUDNBSSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1C[NH3+] ZINC000911071995 656939736 /nfs/dbraw/zinc/93/97/36/656939736.db2.gz FNSLBQUWBPSWBG-UTUOFQBUSA-N 2 1 294.399 -0.608 20 0 CBADMP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000911073280 656940321 /nfs/dbraw/zinc/94/03/21/656940321.db2.gz RGFQUVSMQACJBQ-QJPTWQEYSA-N 2 1 294.399 -0.417 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911136618 656960586 /nfs/dbraw/zinc/96/05/86/656960586.db2.gz ATUKBAUJLQWSPN-QJPTWQEYSA-N 2 1 291.355 -0.683 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911137334 656961620 /nfs/dbraw/zinc/96/16/20/656961620.db2.gz FDXCZSDXWJNXNN-MWLCHTKSSA-N 2 1 279.344 -0.968 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911138562 656961828 /nfs/dbraw/zinc/96/18/28/656961828.db2.gz SIMHMUZRQNGHIS-FRRDWIJNSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000911148658 656964920 /nfs/dbraw/zinc/96/49/20/656964920.db2.gz ZHXMLAOICTVRJX-PRULPYPASA-N 2 1 294.399 -0.548 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911187722 656975803 /nfs/dbraw/zinc/97/58/03/656975803.db2.gz PERNCIVRHZOMEX-NEPJUHHUSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911187723 656976684 /nfs/dbraw/zinc/97/66/84/656976684.db2.gz PERNCIVRHZOMEX-NWDGAFQWSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)[N@@H+](C)C1CC1 ZINC000911206018 656984235 /nfs/dbraw/zinc/98/42/35/656984235.db2.gz OPINTJHRGBUMCW-UTUOFQBUSA-N 2 1 296.415 -0.443 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000911215676 656987546 /nfs/dbraw/zinc/98/75/46/656987546.db2.gz RCQOBBBORPEXRO-AVGNSLFASA-N 2 1 294.399 -0.321 20 0 CBADMP C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000911218859 656990970 /nfs/dbraw/zinc/99/09/70/656990970.db2.gz LTFYEDSWWQETJH-NTZNESFSSA-N 2 1 294.399 -0.523 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCC[NH3+] ZINC000911265237 657002299 /nfs/dbraw/zinc/00/22/99/657002299.db2.gz BNKZHZQKCHEQGW-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCC[NH3+] ZINC000911265237 657002306 /nfs/dbraw/zinc/00/23/06/657002306.db2.gz BNKZHZQKCHEQGW-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)NCCNc1ccc(C)c[nH+]1 ZINC000911270011 657004145 /nfs/dbraw/zinc/00/41/45/657004145.db2.gz GFVVIYPURTXSFB-UHFFFAOYSA-N 2 1 293.371 -0.356 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1[NH3+] ZINC000911270142 657004551 /nfs/dbraw/zinc/00/45/51/657004551.db2.gz UBJKOEFZJPXYJL-NDBYEHHHSA-N 2 1 294.399 -0.465 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000911270845 657005549 /nfs/dbraw/zinc/00/55/49/657005549.db2.gz SKFVAAPBFZCDLT-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000911270845 657005553 /nfs/dbraw/zinc/00/55/53/657005553.db2.gz SKFVAAPBFZCDLT-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CC(N)=O)C2)CC[N@H+]1C ZINC001007368068 657008045 /nfs/dbraw/zinc/00/80/45/657008045.db2.gz AGYOUSZXBNVZIL-RWMBFGLXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CC(N)=O)C2)CC[N@H+]1C ZINC001007370582 657008093 /nfs/dbraw/zinc/00/80/93/657008093.db2.gz BUYBQZWRAYACCZ-GRYCIOLGSA-N 2 1 282.388 -0.608 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000911282659 657009444 /nfs/dbraw/zinc/00/94/44/657009444.db2.gz VVCSRJCLWVKUAR-NEPJUHHUSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000911282659 657009450 /nfs/dbraw/zinc/00/94/50/657009450.db2.gz VVCSRJCLWVKUAR-NEPJUHHUSA-N 2 1 284.404 -0.362 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000911282913 657009615 /nfs/dbraw/zinc/00/96/15/657009615.db2.gz DXRISAUBUWCRPG-UHFFFAOYSA-N 2 1 296.415 -0.297 20 0 CBADMP Cc1ccc(NCCNC(=O)C(=O)NCC2C[NH2+]C2)[nH+]c1 ZINC000911288148 657010838 /nfs/dbraw/zinc/01/08/38/657010838.db2.gz LGEVPVLNPRYPTH-UHFFFAOYSA-N 2 1 291.355 -0.746 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000911288628 657011060 /nfs/dbraw/zinc/01/10/60/657011060.db2.gz POTHEFSPFQJDHQ-UHFFFAOYSA-N 2 1 282.388 -0.830 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000911296262 657012941 /nfs/dbraw/zinc/01/29/41/657012941.db2.gz KXKPBKKKBZSZLU-SNVBAGLBSA-N 2 1 270.377 -0.702 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911337643 657022530 /nfs/dbraw/zinc/02/25/30/657022530.db2.gz UGGCESBURKPTND-AGIUHOORSA-N 2 1 296.415 -0.441 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911335898 657023209 /nfs/dbraw/zinc/02/32/09/657023209.db2.gz CIOLNMHCPBNEMQ-IJLUTSLNSA-N 2 1 282.388 -0.560 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000911337801 657023345 /nfs/dbraw/zinc/02/33/45/657023345.db2.gz WVLKSEJFWXIIFY-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000911367246 657028099 /nfs/dbraw/zinc/02/80/99/657028099.db2.gz MSXRWBGKBJUICT-LPWJVIDDSA-N 2 1 294.399 -0.737 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001008278254 657035760 /nfs/dbraw/zinc/03/57/60/657035760.db2.gz BZAWTKNMVYJBPQ-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001008278254 657035765 /nfs/dbraw/zinc/03/57/65/657035765.db2.gz BZAWTKNMVYJBPQ-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001008278254 657035771 /nfs/dbraw/zinc/03/57/71/657035771.db2.gz BZAWTKNMVYJBPQ-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001008278254 657035777 /nfs/dbraw/zinc/03/57/77/657035777.db2.gz BZAWTKNMVYJBPQ-ZIAGYGMSSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911488115 657055516 /nfs/dbraw/zinc/05/55/16/657055516.db2.gz HZXJPGRWVHXBNO-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911504564 657058575 /nfs/dbraw/zinc/05/85/75/657058575.db2.gz LCWQVWMISOGBLY-UHFFFAOYSA-N 2 1 282.388 -0.606 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911505836 657059661 /nfs/dbraw/zinc/05/96/61/657059661.db2.gz UTNGJABVYBYSBX-LBPRGKRZSA-N 2 1 296.415 -0.312 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911505336 657059736 /nfs/dbraw/zinc/05/97/36/657059736.db2.gz AEAHPCIINOLZGV-UHFFFAOYSA-N 2 1 268.361 -0.854 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911527515 657066792 /nfs/dbraw/zinc/06/67/92/657066792.db2.gz GPTGKNJFALWHMZ-RYUDHWBXSA-N 2 1 296.415 -0.299 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911527635 657067727 /nfs/dbraw/zinc/06/77/27/657067727.db2.gz JAPMLHOFCCXDSC-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC[NH2+]1 ZINC000911529668 657068615 /nfs/dbraw/zinc/06/86/15/657068615.db2.gz FJAQEWOHJLCZIS-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911556753 657076400 /nfs/dbraw/zinc/07/64/00/657076400.db2.gz LRMWNRVAZPQBPT-JHJVBQTASA-N 2 1 296.415 -0.219 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC001009507894 657076588 /nfs/dbraw/zinc/07/65/88/657076588.db2.gz INZYKNGMYKTVSA-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC001009507894 657076592 /nfs/dbraw/zinc/07/65/92/657076592.db2.gz INZYKNGMYKTVSA-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC001009507894 657076594 /nfs/dbraw/zinc/07/65/94/657076594.db2.gz INZYKNGMYKTVSA-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911564980 657080089 /nfs/dbraw/zinc/08/00/89/657080089.db2.gz XMVCSPLQAWBRSL-STQMWFEESA-N 2 1 296.415 -0.155 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(CCCF)CC1 ZINC000911591263 657082621 /nfs/dbraw/zinc/08/26/21/657082621.db2.gz YTKOJAGQDKFZOM-JSGCOSHPSA-N 2 1 287.379 -0.055 20 0 CBADMP CN1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(CCCF)CC1 ZINC000911591263 657082626 /nfs/dbraw/zinc/08/26/26/657082626.db2.gz YTKOJAGQDKFZOM-JSGCOSHPSA-N 2 1 287.379 -0.055 20 0 CBADMP Cc1sc(C[NH3+])nc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000911631149 657089655 /nfs/dbraw/zinc/08/96/55/657089655.db2.gz ZBCUVYMFYBIOPU-UHFFFAOYSA-N 2 1 297.428 -0.065 20 0 CBADMP C[C@@H]([NH3+])c1nc(C(=O)NCCN2CC[NH2+]CC2)cs1 ZINC000911693784 657104606 /nfs/dbraw/zinc/10/46/06/657104606.db2.gz NNOPMFVZBMRRBP-SECBINFHSA-N 2 1 283.401 -0.202 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911879027 657154746 /nfs/dbraw/zinc/15/47/46/657154746.db2.gz KIEWCFSUFUFMJP-QWHCGFSZSA-N 2 1 268.405 -0.040 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911939787 657170712 /nfs/dbraw/zinc/17/07/12/657170712.db2.gz ZYMSDOUBYZWNPZ-ZDUSSCGKSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](O)C(C)(C)O ZINC000912302372 657227485 /nfs/dbraw/zinc/22/74/85/657227485.db2.gz BUPLWPYCLNKMDI-NWDGAFQWSA-N 2 1 289.420 -0.494 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](O)C(C)(C)O ZINC000912302372 657227476 /nfs/dbraw/zinc/22/74/76/657227476.db2.gz BUPLWPYCLNKMDI-NWDGAFQWSA-N 2 1 289.420 -0.494 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)C1([NH+](C)C)CCC1 ZINC000912604947 657294663 /nfs/dbraw/zinc/29/46/63/657294663.db2.gz XRBQICWMGTUSRC-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[N@@H+](C)CCO ZINC000912608758 657297290 /nfs/dbraw/zinc/29/72/90/657297290.db2.gz WTLDMXYGEMKLTD-ZDUSSCGKSA-N 2 1 287.404 -0.663 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000912612216 657300318 /nfs/dbraw/zinc/30/03/18/657300318.db2.gz KPBYQRZYQMWXCM-AWEZNQCLSA-N 2 1 287.404 -0.784 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000912612216 657300322 /nfs/dbraw/zinc/30/03/22/657300322.db2.gz KPBYQRZYQMWXCM-AWEZNQCLSA-N 2 1 287.404 -0.784 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000912612216 657300324 /nfs/dbraw/zinc/30/03/24/657300324.db2.gz KPBYQRZYQMWXCM-AWEZNQCLSA-N 2 1 287.404 -0.784 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](C)C[C@@H]2CO)C1 ZINC000912736838 657323697 /nfs/dbraw/zinc/32/36/97/657323697.db2.gz ZDBPMOREPWDLCU-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+](C)C[C@@H]2CO)C1 ZINC000912736838 657323705 /nfs/dbraw/zinc/32/37/05/657323705.db2.gz ZDBPMOREPWDLCU-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[N@H+](C)C[C@@H]2CO)C1 ZINC000912736838 657323710 /nfs/dbraw/zinc/32/37/10/657323710.db2.gz ZDBPMOREPWDLCU-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[N@@H+](C)C[C@@H]2CO)C1 ZINC000912736838 657323715 /nfs/dbraw/zinc/32/37/15/657323715.db2.gz ZDBPMOREPWDLCU-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C)C[C@H]2CO)CC[N@@H+]1C ZINC000912739041 657327217 /nfs/dbraw/zinc/32/72/17/657327217.db2.gz OOBYRBKGJKLCCP-AVGNSLFASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C)C[C@H]2CO)CC[N@H+]1C ZINC000912739041 657327224 /nfs/dbraw/zinc/32/72/24/657327224.db2.gz OOBYRBKGJKLCCP-AVGNSLFASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2CO)CC[NH+]1C ZINC000912739041 657327231 /nfs/dbraw/zinc/32/72/31/657327231.db2.gz OOBYRBKGJKLCCP-AVGNSLFASA-N 2 1 269.389 -0.148 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2CO)CC[NH+]1C ZINC000912739041 657327243 /nfs/dbraw/zinc/32/72/43/657327243.db2.gz OOBYRBKGJKLCCP-AVGNSLFASA-N 2 1 269.389 -0.148 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912744076 657337032 /nfs/dbraw/zinc/33/70/32/657337032.db2.gz MWQISPZBAUCNJE-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912744076 657337039 /nfs/dbraw/zinc/33/70/39/657337039.db2.gz MWQISPZBAUCNJE-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C2)n1 ZINC001014463064 657361876 /nfs/dbraw/zinc/36/18/76/657361876.db2.gz TVKOEOKCFIZBSB-GFCCVEGCSA-N 2 1 295.387 -0.759 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)CC[N@H+]1C ZINC001014484116 657363075 /nfs/dbraw/zinc/36/30/75/657363075.db2.gz OWFXBBUCJTWOFY-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CCO)C2)CC[NH+]1C ZINC001014484116 657363079 /nfs/dbraw/zinc/36/30/79/657363079.db2.gz OWFXBBUCJTWOFY-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001014484116 657363084 /nfs/dbraw/zinc/36/30/84/657363084.db2.gz OWFXBBUCJTWOFY-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001014476155 657363183 /nfs/dbraw/zinc/36/31/83/657363183.db2.gz OYTBJCBOCXSGLO-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N(C)C)C2)CC[N@H+]1C ZINC001014476155 657363187 /nfs/dbraw/zinc/36/31/87/657363187.db2.gz OYTBJCBOCXSGLO-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C2)CC[NH+]1C ZINC001014476155 657363191 /nfs/dbraw/zinc/36/31/91/657363191.db2.gz OYTBJCBOCXSGLO-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C2)CC[NH+]1C ZINC001014476155 657363194 /nfs/dbraw/zinc/36/31/94/657363194.db2.gz OYTBJCBOCXSGLO-FRRDWIJNSA-N 2 1 296.415 -0.395 20 0 CBADMP O=C(CNc1ccccn1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000913171057 657391733 /nfs/dbraw/zinc/39/17/33/657391733.db2.gz CUPOWEIGYDCTCE-LLVKDONJSA-N 2 1 264.329 -0.324 20 0 CBADMP C[N@H+](CC(=O)NC[C@@]1(CO)COCC[NH2+]1)CC(C)(C)C ZINC000913179433 657396695 /nfs/dbraw/zinc/39/66/95/657396695.db2.gz PVDLJZSJKMJUMS-CQSZACIVSA-N 2 1 287.404 -0.569 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@]1(CO)COCC[NH2+]1)CC(C)(C)C ZINC000913179433 657396703 /nfs/dbraw/zinc/39/67/03/657396703.db2.gz PVDLJZSJKMJUMS-CQSZACIVSA-N 2 1 287.404 -0.569 20 0 CBADMP O=C(NC[C@]1(CO)COCC[NH2+]1)C1CC[NH+](C2CC2)CC1 ZINC000913185790 657411147 /nfs/dbraw/zinc/41/11/47/657411147.db2.gz QYPHLNLDECQNJR-HNNXBMFYSA-N 2 1 297.399 -0.672 20 0 CBADMP O=C(CCCC[NH+]1CCCC1)NC[C@]1(CO)COCC[NH2+]1 ZINC000913189911 657417124 /nfs/dbraw/zinc/41/71/24/657417124.db2.gz GQSCIVIWWJCASC-HNNXBMFYSA-N 2 1 299.415 -0.280 20 0 CBADMP C[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)[NH+]1CCCCCC1 ZINC000913189377 657418138 /nfs/dbraw/zinc/41/81/38/657418138.db2.gz VQSHKWUSSQSDJD-HIFRSBDPSA-N 2 1 299.415 -0.282 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001015291463 657427553 /nfs/dbraw/zinc/42/75/53/657427553.db2.gz UPSSIXHSSZYDKF-GFCCVEGCSA-N 2 1 266.345 -0.236 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001015291463 657427568 /nfs/dbraw/zinc/42/75/68/657427568.db2.gz UPSSIXHSSZYDKF-GFCCVEGCSA-N 2 1 266.345 -0.236 20 0 CBADMP CC(C)(C(=O)NC[C@@]1(CO)COCC[NH2+]1)[NH+]1CCCCC1 ZINC000913196685 657428921 /nfs/dbraw/zinc/42/89/21/657428921.db2.gz QRJWMIJWNLQPKX-OAHLLOKOSA-N 2 1 299.415 -0.282 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001015704643 657525125 /nfs/dbraw/zinc/52/51/25/657525125.db2.gz BODONGNKNHZNQB-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001015704643 657525136 /nfs/dbraw/zinc/52/51/36/657525136.db2.gz BODONGNKNHZNQB-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001015704643 657525144 /nfs/dbraw/zinc/52/51/44/657525144.db2.gz BODONGNKNHZNQB-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796777 657550092 /nfs/dbraw/zinc/55/00/92/657550092.db2.gz QSPMOPSDCDBNIC-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796777 657550099 /nfs/dbraw/zinc/55/00/99/657550099.db2.gz QSPMOPSDCDBNIC-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP O=C(NC12CC[NH+](CC1)C2)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000913635888 657573311 /nfs/dbraw/zinc/57/33/11/657573311.db2.gz RSVJFFLPDILUPW-NEPJUHHUSA-N 2 1 265.357 -0.186 20 0 CBADMP C[NH+](C)CC1(O)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000913679913 657581165 /nfs/dbraw/zinc/58/11/65/657581165.db2.gz WLFRCWZDSSFKDN-GFCCVEGCSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](C)CC1(O)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000913679913 657581152 /nfs/dbraw/zinc/58/11/52/657581152.db2.gz WLFRCWZDSSFKDN-GFCCVEGCSA-N 2 1 285.388 -0.768 20 0 CBADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001015900798 657600324 /nfs/dbraw/zinc/60/03/24/657600324.db2.gz VKZVOZSTBDJRDY-CYBMUJFWSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000913759589 657604039 /nfs/dbraw/zinc/60/40/39/657604039.db2.gz QHPWTGFPTKIBRF-OSFYFWSMSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)CC[C@@H]21 ZINC000913759589 657604054 /nfs/dbraw/zinc/60/40/54/657604054.db2.gz QHPWTGFPTKIBRF-OSFYFWSMSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)CC[C@@H]21 ZINC000913759589 657604075 /nfs/dbraw/zinc/60/40/75/657604075.db2.gz QHPWTGFPTKIBRF-OSFYFWSMSA-N 2 1 281.400 -0.006 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001015997670 657628021 /nfs/dbraw/zinc/62/80/21/657628021.db2.gz FRXVQVASELTKPX-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001015997670 657628027 /nfs/dbraw/zinc/62/80/27/657628027.db2.gz FRXVQVASELTKPX-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001015997670 657628034 /nfs/dbraw/zinc/62/80/34/657628034.db2.gz FRXVQVASELTKPX-VXGBXAGGSA-N 2 1 255.362 -0.489 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004320 657630268 /nfs/dbraw/zinc/63/02/68/657630268.db2.gz WMBFNJOTKYPZLM-NEPJUHHUSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004320 657630270 /nfs/dbraw/zinc/63/02/70/657630270.db2.gz WMBFNJOTKYPZLM-NEPJUHHUSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004495 657631412 /nfs/dbraw/zinc/63/14/12/657631412.db2.gz XYOLBWXPZXXQMH-NEPJUHHUSA-N 2 1 267.373 -0.347 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001016260769 657673587 /nfs/dbraw/zinc/67/35/87/657673587.db2.gz SCRPDZPGDHHGSV-ZYHUDNBSSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001016260769 657673595 /nfs/dbraw/zinc/67/35/95/657673595.db2.gz SCRPDZPGDHHGSV-ZYHUDNBSSA-N 2 1 266.345 -0.237 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001016302504 657687454 /nfs/dbraw/zinc/68/74/54/657687454.db2.gz MURKYILAYAHKTE-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001016302504 657687460 /nfs/dbraw/zinc/68/74/60/657687460.db2.gz MURKYILAYAHKTE-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001016302504 657687469 /nfs/dbraw/zinc/68/74/69/657687469.db2.gz MURKYILAYAHKTE-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001016302504 657687485 /nfs/dbraw/zinc/68/74/85/657687485.db2.gz MURKYILAYAHKTE-QWHCGFSZSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC23CC[NH+](CCO)CC3)C1 ZINC001016553833 657721621 /nfs/dbraw/zinc/72/16/21/657721621.db2.gz TVWQJVQCLRKEQN-OLZOCXBDSA-N 2 1 297.399 -0.720 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC23CC[NH+](CCO)CC3)C1 ZINC001016553833 657721628 /nfs/dbraw/zinc/72/16/28/657721628.db2.gz TVWQJVQCLRKEQN-OLZOCXBDSA-N 2 1 297.399 -0.720 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC23CC[NH+](CCO)CC3)C1 ZINC001016968819 657743254 /nfs/dbraw/zinc/74/32/54/657743254.db2.gz HSISBEPJELFIPK-OLZOCXBDSA-N 2 1 281.400 -0.099 20 0 CBADMP CC[C@@H](CO)[NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000915875444 657755324 /nfs/dbraw/zinc/75/53/24/657755324.db2.gz KGCJLISQNISEPI-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP CCN1CCO[C@@H](CNC(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000919128295 657844558 /nfs/dbraw/zinc/84/45/58/657844558.db2.gz WAWNUXOQHNKLFV-NEPJUHHUSA-N 2 1 270.377 -0.290 20 0 CBADMP CCN1CCO[C@@H](CNC(=O)NC[C@H]2CCN2C)C1 ZINC000919128295 657844561 /nfs/dbraw/zinc/84/45/61/657844561.db2.gz WAWNUXOQHNKLFV-NEPJUHHUSA-N 2 1 270.377 -0.290 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001018872882 657851209 /nfs/dbraw/zinc/85/12/09/657851209.db2.gz KKKXHYQQOAOZDK-SDDRHHMPSA-N 2 1 282.388 -0.608 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018938143 657854047 /nfs/dbraw/zinc/85/40/47/657854047.db2.gz BLXOXUKZFSKYBI-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001018961352 657854927 /nfs/dbraw/zinc/85/49/27/657854927.db2.gz AHZPODLVPPATCD-OLZOCXBDSA-N 2 1 296.415 -0.360 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000919635177 657855552 /nfs/dbraw/zinc/85/55/52/657855552.db2.gz NDFDIAWRBHGGDY-NWDGAFQWSA-N 2 1 270.377 -0.290 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000919635177 657855557 /nfs/dbraw/zinc/85/55/57/657855557.db2.gz NDFDIAWRBHGGDY-NWDGAFQWSA-N 2 1 270.377 -0.290 20 0 CBADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000919635177 657855562 /nfs/dbraw/zinc/85/55/62/657855562.db2.gz NDFDIAWRBHGGDY-NWDGAFQWSA-N 2 1 270.377 -0.290 20 0 CBADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC[C@H]([NH2+]CCF)C1 ZINC001018963708 657855628 /nfs/dbraw/zinc/85/56/28/657855628.db2.gz VZTYODKJIZQUKV-STQMWFEESA-N 2 1 297.378 -0.027 20 0 CBADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(N)=O ZINC001018971568 657855689 /nfs/dbraw/zinc/85/56/89/657855689.db2.gz HTRBUNFFBFXGMD-AAEUAGOBSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001019241582 657875910 /nfs/dbraw/zinc/87/59/10/657875910.db2.gz LIGJZSKVLHHIQZ-QJPTWQEYSA-N 2 1 282.388 -0.465 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019386125 657890960 /nfs/dbraw/zinc/89/09/60/657890960.db2.gz DBVCGTVJDZRTLB-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001019772765 657938042 /nfs/dbraw/zinc/93/80/42/657938042.db2.gz QPWSYAMPFXPZAC-RYUDHWBXSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001019772765 657938053 /nfs/dbraw/zinc/93/80/53/657938053.db2.gz QPWSYAMPFXPZAC-RYUDHWBXSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001019772344 657938474 /nfs/dbraw/zinc/93/84/74/657938474.db2.gz ASGKMPHVJRQAGW-NEPJUHHUSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001019772344 657938486 /nfs/dbraw/zinc/93/84/86/657938486.db2.gz ASGKMPHVJRQAGW-NEPJUHHUSA-N 2 1 292.387 -0.543 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001019771541 657939658 /nfs/dbraw/zinc/93/96/58/657939658.db2.gz RMZVBROKJHZKBX-OLZOCXBDSA-N 2 1 294.399 -0.639 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001020029171 657990030 /nfs/dbraw/zinc/99/00/30/657990030.db2.gz WYJMYXSSKCTCSG-CKYFFXLPSA-N 2 1 279.344 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001020029171 657990034 /nfs/dbraw/zinc/99/00/34/657990034.db2.gz WYJMYXSSKCTCSG-CKYFFXLPSA-N 2 1 279.344 -0.099 20 0 CBADMP CC(C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001020046052 657997355 /nfs/dbraw/zinc/99/73/55/657997355.db2.gz SCABDOHHCAVWDZ-SRVKXCTJSA-N 2 1 255.362 -0.038 20 0 CBADMP CC(C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001020046052 657997364 /nfs/dbraw/zinc/99/73/64/657997364.db2.gz SCABDOHHCAVWDZ-SRVKXCTJSA-N 2 1 255.362 -0.038 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCOC3)C2)C1 ZINC001020046011 657998435 /nfs/dbraw/zinc/99/84/35/657998435.db2.gz RHBQQPNASNDPMM-XUXIUFHCSA-N 2 1 297.399 -0.410 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCOC3)C2)C1 ZINC001020046011 657998463 /nfs/dbraw/zinc/99/84/63/657998463.db2.gz RHBQQPNASNDPMM-XUXIUFHCSA-N 2 1 297.399 -0.410 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001020172341 658021141 /nfs/dbraw/zinc/02/11/41/658021141.db2.gz YSEJVGDHNKJFRR-FPYNETTCSA-N 2 1 269.389 -0.056 20 0 CBADMP 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 658021952 /nfs/dbraw/zinc/02/19/52/658021952.db2.gz RLFCDRZKYGTHGM-KZZRWZIVSA-N 2 1 282.388 -0.563 20 0 CBADMP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001020178874 658025128 /nfs/dbraw/zinc/02/51/28/658025128.db2.gz HQMVDZHXBSNZFF-ZDEQEGDKSA-N 2 1 283.372 -0.921 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001020214418 658025936 /nfs/dbraw/zinc/02/59/36/658025936.db2.gz SNNYANZNADZLNS-FDYHWXHSSA-N 2 1 296.415 -0.029 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)O)C1 ZINC001020398229 658047304 /nfs/dbraw/zinc/04/73/04/658047304.db2.gz XBLMJQJDIDTUJM-SRVKXCTJSA-N 2 1 266.345 -0.191 20 0 CBADMP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1)C(N)=O ZINC001020589072 658075242 /nfs/dbraw/zinc/07/52/42/658075242.db2.gz WFBQWJIXQBHJQS-DDHJBXDOSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020587692 658076055 /nfs/dbraw/zinc/07/60/55/658076055.db2.gz QRLOIWRGLKNLGF-SRVKXCTJSA-N 2 1 255.362 -0.300 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001020927676 658116750 /nfs/dbraw/zinc/11/67/50/658116750.db2.gz OBJMAIPRRJPRPR-ZDEQEGDKSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001020929283 658120480 /nfs/dbraw/zinc/12/04/80/658120480.db2.gz VYCJSWIYMWPGRM-YVECIDJPSA-N 2 1 269.389 -0.054 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001021047604 658134423 /nfs/dbraw/zinc/13/44/23/658134423.db2.gz JCNCGSLAIMMCNO-DDHJBXDOSA-N 2 1 280.372 -0.937 20 0 CBADMP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021047808 658134834 /nfs/dbraw/zinc/13/48/34/658134834.db2.gz OXUSBRVINFWDQI-IJLUTSLNSA-N 2 1 292.387 -0.496 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001021047458 658135102 /nfs/dbraw/zinc/13/51/02/658135102.db2.gz DPZISFOFMXPMKM-CYDGBPFRSA-N 2 1 294.399 -0.547 20 0 CBADMP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021047809 658139588 /nfs/dbraw/zinc/13/95/88/658139588.db2.gz OXUSBRVINFWDQI-SRVKXCTJSA-N 2 1 292.387 -0.496 20 0 CBADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001021080863 658145939 /nfs/dbraw/zinc/14/59/39/658145939.db2.gz QZFDLFPWPDPIAH-SRVKXCTJSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001021080863 658145950 /nfs/dbraw/zinc/14/59/50/658145950.db2.gz QZFDLFPWPDPIAH-SRVKXCTJSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001021094342 658150636 /nfs/dbraw/zinc/15/06/36/658150636.db2.gz OBEZOPXPIHQYGN-FDYHWXHSSA-N 2 1 296.415 -0.029 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN[C@](C)(C[NH3+])C1CC1 ZINC000923295796 658194665 /nfs/dbraw/zinc/19/46/65/658194665.db2.gz HPHFNRNUZVUQPH-QWHCGFSZSA-N 2 1 259.394 -0.358 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923279861 658188420 /nfs/dbraw/zinc/18/84/20/658188420.db2.gz CKVXPPFFOCGNNK-STQMWFEESA-N 2 1 295.387 -0.969 20 0 CBADMP CCOCC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000923280427 658188994 /nfs/dbraw/zinc/18/89/94/658188994.db2.gz GIVFXTASJIWAHM-CHWSQXEVSA-N 2 1 287.404 -0.439 20 0 CBADMP COCC[N@@H+](CC(=O)N(C)C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303997 658199024 /nfs/dbraw/zinc/19/90/24/658199024.db2.gz ANZCIUCHGQNKOD-GFCCVEGCSA-N 2 1 285.388 -0.599 20 0 CBADMP COCC[N@H+](CC(=O)N(C)C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303997 658199040 /nfs/dbraw/zinc/19/90/40/658199040.db2.gz ANZCIUCHGQNKOD-GFCCVEGCSA-N 2 1 285.388 -0.599 20 0 CBADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923314247 658202394 /nfs/dbraw/zinc/20/23/94/658202394.db2.gz FFKMCVAMSMLQTG-GHMZBOCLSA-N 2 1 255.362 -0.321 20 0 CBADMP O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309159 658204002 /nfs/dbraw/zinc/20/40/02/658204002.db2.gz SUNWDJRPLNLFCJ-CHWSQXEVSA-N 2 1 294.399 -0.146 20 0 CBADMP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923313956 658204712 /nfs/dbraw/zinc/20/47/12/658204712.db2.gz NSTMYGWKUGWGAE-GRYCIOLGSA-N 2 1 265.357 -0.282 20 0 CBADMP CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923311495 658204905 /nfs/dbraw/zinc/20/49/05/658204905.db2.gz NXKLZUOVHKQVOQ-NWDGAFQWSA-N 2 1 267.373 -0.179 20 0 CBADMP CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923311495 658204938 /nfs/dbraw/zinc/20/49/38/658204938.db2.gz NXKLZUOVHKQVOQ-NWDGAFQWSA-N 2 1 267.373 -0.179 20 0 CBADMP O=C1NC[C@@H]2C[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CCN12 ZINC000923314251 658206147 /nfs/dbraw/zinc/20/61/47/658206147.db2.gz FFNJKWPTHJSYDX-GHMZBOCLSA-N 2 1 266.345 -0.926 20 0 CBADMP O=C1NC[C@@H]2C[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CCN12 ZINC000923314251 658206174 /nfs/dbraw/zinc/20/61/74/658206174.db2.gz FFNJKWPTHJSYDX-GHMZBOCLSA-N 2 1 266.345 -0.926 20 0 CBADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]12 ZINC000923333116 658215780 /nfs/dbraw/zinc/21/57/80/658215780.db2.gz OUBZTHVFRJNKEI-MROQNXINSA-N 2 1 250.346 -0.087 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000923334730 658220093 /nfs/dbraw/zinc/22/00/93/658220093.db2.gz XZABDAMQMGMUOM-HBNTYKKESA-N 2 1 266.345 -0.451 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000923342691 658220725 /nfs/dbraw/zinc/22/07/25/658220725.db2.gz GCAXTLFPKQSJGA-SRVKXCTJSA-N 2 1 263.357 -0.703 20 0 CBADMP CC[C@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)CC[C@H]1[NH3+] ZINC000923346373 658221328 /nfs/dbraw/zinc/22/13/28/658221328.db2.gz WYBBYZWCNIDMEG-WDEREUQCSA-N 2 1 268.361 -0.060 20 0 CBADMP CC[C@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)CC[C@H]1[NH3+] ZINC000923346373 658221341 /nfs/dbraw/zinc/22/13/41/658221341.db2.gz WYBBYZWCNIDMEG-WDEREUQCSA-N 2 1 268.361 -0.060 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2CCC[C@H](CC[NH3+])C2)C1=O ZINC000923348245 658222085 /nfs/dbraw/zinc/22/20/85/658222085.db2.gz DPUUSOUMRPCLDO-LLVKDONJSA-N 2 1 268.361 -0.059 20 0 CBADMP CCOCC[C@@H](O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923367636 658234504 /nfs/dbraw/zinc/23/45/04/658234504.db2.gz VUPYBLJLIJMZHC-UONOGXRCSA-N 2 1 271.405 -0.247 20 0 CBADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923366867 658235431 /nfs/dbraw/zinc/23/54/31/658235431.db2.gz PNTLBARECPOOHL-CABCVRRESA-N 2 1 285.432 -0.001 20 0 CBADMP CCOCC[C@@H](O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923367637 658236029 /nfs/dbraw/zinc/23/60/29/658236029.db2.gz VUPYBLJLIJMZHC-ZIAGYGMSSA-N 2 1 271.405 -0.247 20 0 CBADMP Cc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000923365280 658236309 /nfs/dbraw/zinc/23/63/09/658236309.db2.gz DTIYGBKOYVZSBU-OLZOCXBDSA-N 2 1 268.357 -0.014 20 0 CBADMP Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000923365280 658236336 /nfs/dbraw/zinc/23/63/36/658236336.db2.gz DTIYGBKOYVZSBU-OLZOCXBDSA-N 2 1 268.357 -0.014 20 0 CBADMP CCN1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1=O ZINC000923373597 658239224 /nfs/dbraw/zinc/23/92/24/658239224.db2.gz QLIVGYFVQTXTNV-LBPRGKRZSA-N 2 1 267.373 -0.081 20 0 CBADMP COCCOC[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000923368993 658239929 /nfs/dbraw/zinc/23/99/29/658239929.db2.gz IKDNHJUXGZAUCD-FDYHWXHSSA-N 2 1 260.378 -0.014 20 0 CBADMP CNC(=O)CCC[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923371729 658243333 /nfs/dbraw/zinc/24/33/33/658243333.db2.gz SSRMCARMMGDSAI-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP CN1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCC1=O ZINC000923386715 658248635 /nfs/dbraw/zinc/24/86/35/658248635.db2.gz AMAUGLRBMTXDOP-NSHDSACASA-N 2 1 253.346 -0.471 20 0 CBADMP CN(C)C(=O)N(C)[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923395654 658252545 /nfs/dbraw/zinc/25/25/45/658252545.db2.gz UUMBOBCYLUPECA-BJDJZHNGSA-N 2 1 270.377 -0.475 20 0 CBADMP c1cnc(N2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)nn1 ZINC000923398573 658253688 /nfs/dbraw/zinc/25/36/88/658253688.db2.gz LQBAZLQUBFLMIV-GFCCVEGCSA-N 2 1 290.371 -0.628 20 0 CBADMP O=C1OCCN1[C@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923392403 658254538 /nfs/dbraw/zinc/25/45/38/658254538.db2.gz RIPIOIYHROMDIA-RYUDHWBXSA-N 2 1 281.356 -0.109 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN[C@H]1CC[NH2+]C12CCC2 ZINC000923399389 658256111 /nfs/dbraw/zinc/25/61/11/658256111.db2.gz PCFXOSJJSJSYRX-STQMWFEESA-N 2 1 271.405 -0.200 20 0 CBADMP NC(=O)c1cn([C@@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)nn1 ZINC000923395165 658256364 /nfs/dbraw/zinc/25/63/64/658256364.db2.gz JWZZBKPSMOKTTR-LLVKDONJSA-N 2 1 278.360 -0.234 20 0 CBADMP NC(=O)c1cn([C@@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)nn1 ZINC000923395165 658256384 /nfs/dbraw/zinc/25/63/84/658256384.db2.gz JWZZBKPSMOKTTR-LLVKDONJSA-N 2 1 278.360 -0.234 20 0 CBADMP C[C@H]1C[N@H+](CCN2CCC[C@H]([NH2+]CCO)C2)CCO1 ZINC000923405700 658257618 /nfs/dbraw/zinc/25/76/18/658257618.db2.gz HNIKPZCLMPUKMS-KBPBESRZSA-N 2 1 271.405 -0.247 20 0 CBADMP C[C@H]1C[N@@H+](CCN2CCC[C@H]([NH2+]CCO)C2)CCO1 ZINC000923405700 658257631 /nfs/dbraw/zinc/25/76/31/658257631.db2.gz HNIKPZCLMPUKMS-KBPBESRZSA-N 2 1 271.405 -0.247 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)[C@@H]12 ZINC000923413487 658270744 /nfs/dbraw/zinc/27/07/44/658270744.db2.gz DZQFTJFZJQMINA-JHJVBQTASA-N 2 1 295.383 -0.656 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)[C@@H]12 ZINC000923413487 658270763 /nfs/dbraw/zinc/27/07/63/658270763.db2.gz DZQFTJFZJQMINA-JHJVBQTASA-N 2 1 295.383 -0.656 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000923416033 658270926 /nfs/dbraw/zinc/27/09/26/658270926.db2.gz KEWFKWPFAMRICR-MJBXVCDLSA-N 2 1 271.405 -0.248 20 0 CBADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC000923428756 658273980 /nfs/dbraw/zinc/27/39/80/658273980.db2.gz ZFVSNYAIVYGZPA-YNEHKIRRSA-N 2 1 250.346 -0.215 20 0 CBADMP COC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923431352 658278244 /nfs/dbraw/zinc/27/82/44/658278244.db2.gz POEMEJUUKJQJOA-QLFBSQMISA-N 2 1 283.416 -0.106 20 0 CBADMP COC[C@H](O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000923431352 658278261 /nfs/dbraw/zinc/27/82/61/658278261.db2.gz POEMEJUUKJQJOA-QLFBSQMISA-N 2 1 283.416 -0.106 20 0 CBADMP COC[C@H](O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000923431352 658278269 /nfs/dbraw/zinc/27/82/69/658278269.db2.gz POEMEJUUKJQJOA-QLFBSQMISA-N 2 1 283.416 -0.106 20 0 CBADMP C[C@H](C(=O)N1CCCCC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923459646 658289541 /nfs/dbraw/zinc/28/95/41/658289541.db2.gz JVWZWJACFGAPQK-CYBMUJFWSA-N 2 1 268.405 -0.118 20 0 CBADMP CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462871 658289681 /nfs/dbraw/zinc/28/96/81/658289681.db2.gz CMWBGAMOVPNOGN-LLVKDONJSA-N 2 1 285.392 -0.896 20 0 CBADMP NC(=O)[C@H](c1ccc(F)cc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461644 658294522 /nfs/dbraw/zinc/29/45/22/658294522.db2.gz RLWOZFHJLQXINM-ZDUSSCGKSA-N 2 1 280.347 -0.153 20 0 CBADMP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC[NH2+]CC2)C[C@H](C)O1 ZINC000923465571 658295627 /nfs/dbraw/zinc/29/56/27/658295627.db2.gz IJGHRFUNDMVZFU-BETUJISGSA-N 2 1 284.404 -0.883 20 0 CBADMP C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923466190 658296019 /nfs/dbraw/zinc/29/60/19/658296019.db2.gz VBXABMOJWIWKES-OKILXGFUSA-N 2 1 282.432 -0.014 20 0 CBADMP CCCCNC(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465163 658296917 /nfs/dbraw/zinc/29/69/17/658296917.db2.gz VUNXATDMQPKIQF-LBPRGKRZSA-N 2 1 256.394 -0.214 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)N1CCC[C@@]([NH3+])(CO)C1 ZINC000923474378 658300420 /nfs/dbraw/zinc/30/04/20/658300420.db2.gz HESSOWGRHPZXFH-OLZOCXBDSA-N 2 1 257.378 -0.507 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000923479341 658303606 /nfs/dbraw/zinc/30/36/06/658303606.db2.gz WHKROVYZWYHIAR-ZFWWWQNUSA-N 2 1 298.431 -0.675 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC000923493125 658307262 /nfs/dbraw/zinc/30/72/62/658307262.db2.gz RIQXVMVFYLAAKY-UONOGXRCSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500241 658307418 /nfs/dbraw/zinc/30/74/18/658307418.db2.gz VWVWVCANGSITGL-VHSXEESVSA-N 2 1 256.350 -0.251 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)CC[C@H]1C[NH3+] ZINC000923494603 658308069 /nfs/dbraw/zinc/30/80/69/658308069.db2.gz ZASSGMXTZAJSHV-MNOVXSKESA-N 2 1 268.361 -0.203 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491494 658308564 /nfs/dbraw/zinc/30/85/64/658308564.db2.gz IERXAUYEFCFYLF-MJBXVCDLSA-N 2 1 273.421 -0.158 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495560 658308711 /nfs/dbraw/zinc/30/87/11/658308711.db2.gz CHXIGJRBVJXYLO-GHMZBOCLSA-N 2 1 263.407 -0.158 20 0 CBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC000923493124 658308759 /nfs/dbraw/zinc/30/87/59/658308759.db2.gz RIQXVMVFYLAAKY-KGLIPLIRSA-N 2 1 296.415 -0.216 20 0 CBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923502932 658310055 /nfs/dbraw/zinc/31/00/55/658310055.db2.gz FCULKTXZZHEACX-LPEHRKFASA-N 2 1 256.350 -0.253 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)C(=O)N(C)C ZINC000923500982 658312127 /nfs/dbraw/zinc/31/21/27/658312127.db2.gz SWDOKLXOGPFPSO-SDDRHHMPSA-N 2 1 284.404 -0.504 20 0 CBADMP O=C(CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000923516421 658312809 /nfs/dbraw/zinc/31/28/09/658312809.db2.gz DLWIMWGBMJXVEJ-QWHCGFSZSA-N 3 1 266.389 -0.650 20 0 CBADMP O=C(CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCNCC1 ZINC000923516421 658312825 /nfs/dbraw/zinc/31/28/25/658312825.db2.gz DLWIMWGBMJXVEJ-QWHCGFSZSA-N 2 1 266.389 -0.650 20 0 CBADMP O=C(CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCNCC1 ZINC000923516421 658312843 /nfs/dbraw/zinc/31/28/43/658312843.db2.gz DLWIMWGBMJXVEJ-QWHCGFSZSA-N 2 1 266.389 -0.650 20 0 CBADMP O[C@H](Cn1cccn1)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516532 658313106 /nfs/dbraw/zinc/31/31/06/658313106.db2.gz JDGXOEWZVVAKPY-XQQFMLRXSA-N 2 1 250.346 -0.215 20 0 CBADMP [NH3+]CCCCCCC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000923549504 658318907 /nfs/dbraw/zinc/31/89/07/658318907.db2.gz KGVQBNSHSRAJEP-LBPRGKRZSA-N 2 1 290.433 -0.270 20 0 CBADMP COC[C@H]1COCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923557643 658325730 /nfs/dbraw/zinc/32/57/30/658325730.db2.gz MGZKPGQTJGMAQL-RYUDHWBXSA-N 2 1 256.346 -0.288 20 0 CBADMP COC[C@H]1COCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923557643 658325741 /nfs/dbraw/zinc/32/57/41/658325741.db2.gz MGZKPGQTJGMAQL-RYUDHWBXSA-N 2 1 256.346 -0.288 20 0 CBADMP C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000923568202 658330840 /nfs/dbraw/zinc/33/08/40/658330840.db2.gz FTIIFJCRNCZLJX-AXFHLTTASA-N 2 1 261.391 -0.250 20 0 CBADMP C[C@@H](CNS(=O)(=O)C1C[NH2+]C1)[N@H+]1CCC[C@H](C)C1 ZINC000923589854 658340418 /nfs/dbraw/zinc/34/04/18/658340418.db2.gz MTCXKONPWYDWTQ-QWRGUYRKSA-N 2 1 275.418 -0.002 20 0 CBADMP O=S(=O)(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000923644483 658373227 /nfs/dbraw/zinc/37/32/27/658373227.db2.gz HTRANAPUHVYXSO-IUCAKERBSA-N 2 1 283.344 -0.345 20 0 CBADMP CC(C)C[N@@H+](C)CCCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923651439 658374937 /nfs/dbraw/zinc/37/49/37/658374937.db2.gz DMGVXULKXCMPFM-UHFFFAOYSA-N 2 1 292.449 -0.296 20 0 CBADMP O=S(=O)(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)C1C[NH2+]C1 ZINC000923658753 658382575 /nfs/dbraw/zinc/38/25/75/658382575.db2.gz INMNPDDWNKBJOZ-LBPRGKRZSA-N 2 1 287.429 0.000 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000923696450 658402093 /nfs/dbraw/zinc/40/20/93/658402093.db2.gz PWQQGTLRGASBOT-NSHDSACASA-N 2 1 291.417 -0.804 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924576987 658615447 /nfs/dbraw/zinc/61/54/47/658615447.db2.gz CVENZYLKGYKUHK-RYUDHWBXSA-N 2 1 298.387 -0.421 20 0 CBADMP COCC[N@H+]1CC[C@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000924598440 658622189 /nfs/dbraw/zinc/62/21/89/658622189.db2.gz DFGKXOSOPCLKAS-WDEREUQCSA-N 2 1 284.360 -0.811 20 0 CBADMP O=C(NC[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958591003 658667860 /nfs/dbraw/zinc/66/78/60/658667860.db2.gz DYQAVZPXAVXBTA-KGLIPLIRSA-N 2 1 293.411 -0.099 20 0 CBADMP O=C(NC[C@H]1C[N@H+](CCCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958591798 658670537 /nfs/dbraw/zinc/67/05/37/658670537.db2.gz JALSZSWGSVIKIM-STQMWFEESA-N 2 1 299.390 -0.149 20 0 CBADMP C[NH+](C)CCn1nccc1C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1C ZINC000924979126 658684578 /nfs/dbraw/zinc/68/45/78/658684578.db2.gz MBZGAIOYCPKPBO-RYUDHWBXSA-N 2 1 295.387 -0.761 20 0 CBADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2C)n1 ZINC000924979110 658686528 /nfs/dbraw/zinc/68/65/28/658686528.db2.gz LZEIPODIEFEKET-RYUDHWBXSA-N 2 1 295.387 -0.761 20 0 CBADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C(=O)NCC1(C)C ZINC000924990687 658707757 /nfs/dbraw/zinc/70/77/57/658707757.db2.gz HJGVXWRTSHNGSX-NEPJUHHUSA-N 2 1 268.405 -0.264 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000924996204 658712140 /nfs/dbraw/zinc/71/21/40/658712140.db2.gz QDLASXDUSHIMNJ-OLZOCXBDSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)C[C@H]1NC(=O)N(CCCC[NH+]2CCOCC2)C1=O ZINC000925281866 658814394 /nfs/dbraw/zinc/81/43/94/658814394.db2.gz FFCLWQWEIDSLRF-GFCCVEGCSA-N 2 1 298.387 -0.419 20 0 CBADMP C[NH+](C)C[C@H]1NC(=O)N(C[C@@H]2CCC[N@H+]2C)C1=O ZINC000925288044 658815207 /nfs/dbraw/zinc/81/52/07/658815207.db2.gz BGUPODHBWRYEON-VHSXEESVSA-N 2 1 254.334 -0.437 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000961148444 658816886 /nfs/dbraw/zinc/81/68/86/658816886.db2.gz KBNURQAACMCAHD-PJXYFTJBSA-N 2 1 264.329 -0.770 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000961148444 658816889 /nfs/dbraw/zinc/81/68/89/658816889.db2.gz KBNURQAACMCAHD-PJXYFTJBSA-N 2 1 264.329 -0.770 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@@H+]1C ZINC000925348176 658832238 /nfs/dbraw/zinc/83/22/38/658832238.db2.gz JOPSYHUIKBXSTG-RTXFEEFZSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)CC[N@H+]1C ZINC000925348176 658832241 /nfs/dbraw/zinc/83/22/41/658832241.db2.gz JOPSYHUIKBXSTG-RTXFEEFZSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000925348176 658832243 /nfs/dbraw/zinc/83/22/43/658832243.db2.gz JOPSYHUIKBXSTG-RTXFEEFZSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC[NH+]1C ZINC000925348176 658832247 /nfs/dbraw/zinc/83/22/47/658832247.db2.gz JOPSYHUIKBXSTG-RTXFEEFZSA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@H+]1C ZINC000925346773 658833001 /nfs/dbraw/zinc/83/30/01/658833001.db2.gz VTQBGVDFIAZQQN-SRVKXCTJSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@H]1[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000925346773 658833005 /nfs/dbraw/zinc/83/30/05/658833005.db2.gz VTQBGVDFIAZQQN-SRVKXCTJSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@H]1[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000925346773 658833009 /nfs/dbraw/zinc/83/30/09/658833009.db2.gz VTQBGVDFIAZQQN-SRVKXCTJSA-N 2 1 270.377 -0.555 20 0 CBADMP CCC[N@H+]1CC[C@@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925359966 658835276 /nfs/dbraw/zinc/83/52/76/658835276.db2.gz SEKMPUDZZPJCPC-GHMZBOCLSA-N 2 1 268.361 -0.047 20 0 CBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925412730 658841472 /nfs/dbraw/zinc/84/14/72/658841472.db2.gz XMOWSMHIXYREBW-CYBMUJFWSA-N 3 1 285.436 -0.175 20 0 CBADMP CN1CC[C@@H]1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000925412730 658841474 /nfs/dbraw/zinc/84/14/74/658841474.db2.gz XMOWSMHIXYREBW-CYBMUJFWSA-N 2 1 285.436 -0.175 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962294813 658850660 /nfs/dbraw/zinc/85/06/60/658850660.db2.gz DYADVNLAXLTJJW-NDBYEHHHSA-N 2 1 279.384 -0.491 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)NC[C@H]2CC[N@H+]2C)CC1=O ZINC000925431035 658851072 /nfs/dbraw/zinc/85/10/72/658851072.db2.gz RWGWFFARUPFRBN-GFCCVEGCSA-N 2 1 297.403 -0.894 20 0 CBADMP CCO[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)C[NH+](C)C ZINC000925431137 658852439 /nfs/dbraw/zinc/85/24/39/658852439.db2.gz COOHIFXVRCSFSA-NWDGAFQWSA-N 2 1 272.393 -0.044 20 0 CBADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1CC[N@H+]1C ZINC000925433824 658853754 /nfs/dbraw/zinc/85/37/54/658853754.db2.gz XMOZAUYMGNZQSK-VXGBXAGGSA-N 2 1 297.403 -0.548 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925513566 658856259 /nfs/dbraw/zinc/85/62/59/658856259.db2.gz KBPZBPGJCIRRHH-UONOGXRCSA-N 2 1 271.405 -0.079 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000962565658 658856805 /nfs/dbraw/zinc/85/68/05/658856805.db2.gz JIGNRTCEOQTCMK-IMRBUKKESA-N 2 1 267.373 -0.489 20 0 CBADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CNCCOC1 ZINC000925542836 658857805 /nfs/dbraw/zinc/85/78/05/658857805.db2.gz QSURWYMEJCJZDR-CHWSQXEVSA-N 2 1 259.394 -0.079 20 0 CBADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000925543004 658858044 /nfs/dbraw/zinc/85/80/44/658858044.db2.gz JWTXCPAGRXZXLZ-SNVBAGLBSA-N 2 1 255.362 -0.001 20 0 CBADMP CS(=O)(=O)CCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925571757 658859282 /nfs/dbraw/zinc/85/92/82/658859282.db2.gz IJSXUGPKOVEVPE-OBPIAQAESA-N 2 1 288.413 -0.366 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCN[C@H]1C[NH2+]CCOC1 ZINC000925554955 658859686 /nfs/dbraw/zinc/85/96/86/658859686.db2.gz BXAPLIDFFCMYKN-KBPBESRZSA-N 2 1 298.431 -0.493 20 0 CBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCN[C@@H]1C[NH2+]CCOC1 ZINC000925554958 658859790 /nfs/dbraw/zinc/85/97/90/658859790.db2.gz BXAPLIDFFCMYKN-ZIAGYGMSSA-N 2 1 298.431 -0.493 20 0 CBADMP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925687727 658866191 /nfs/dbraw/zinc/86/61/91/658866191.db2.gz AHZLDBKYLMFVFL-YHQUGGNUSA-N 3 1 250.390 -0.522 20 0 CBADMP 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 658868549 /nfs/dbraw/zinc/86/85/49/658868549.db2.gz TZYVLVIKNFDFLI-SNIKSBKOSA-N 2 1 251.374 -0.361 20 0 CBADMP CC(C)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)CS(N)(=O)=O ZINC000925727763 658868664 /nfs/dbraw/zinc/86/86/64/658868664.db2.gz ROLKAKFMOUGYQQ-KKJSVHSVSA-N 2 1 287.429 -0.113 20 0 CBADMP C(C[N@H+]1CCC[C@H](N[C@H]2CC[NH2+]C2)C1)N1CCOCC1 ZINC000925769667 658870750 /nfs/dbraw/zinc/87/07/50/658870750.db2.gz QJASUQXOMGYIOX-GJZGRUSLSA-N 2 1 282.432 -0.266 20 0 CBADMP C(C[N@H+]1CCC[C@@H](N[C@H]2CC[NH2+]C2)C1)N1CCOCC1 ZINC000925769670 658870850 /nfs/dbraw/zinc/87/08/50/658870850.db2.gz QJASUQXOMGYIOX-LSDHHAIUSA-N 2 1 282.432 -0.266 20 0 CBADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926334934 658893347 /nfs/dbraw/zinc/89/33/47/658893347.db2.gz WEFBZEFOFDBLNP-QWHCGFSZSA-N 2 1 296.415 -0.406 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926384046 658897341 /nfs/dbraw/zinc/89/73/41/658897341.db2.gz YRSWSCMHEBCLIU-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CCC[NH3+] ZINC000926441994 658900023 /nfs/dbraw/zinc/90/00/23/658900023.db2.gz FQLDJDFBQRFQEZ-CYBMUJFWSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CCC[NH3+] ZINC000926441994 658900026 /nfs/dbraw/zinc/90/00/26/658900026.db2.gz FQLDJDFBQRFQEZ-CYBMUJFWSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000926417319 658900465 /nfs/dbraw/zinc/90/04/65/658900465.db2.gz ITXVESUYILWWGU-JHJVBQTASA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000926442622 658900889 /nfs/dbraw/zinc/90/08/89/658900889.db2.gz IMGIIZQPZVHNLP-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000926442622 658900894 /nfs/dbraw/zinc/90/08/94/658900894.db2.gz IMGIIZQPZVHNLP-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CCCN1C)C1CN(CC(N)=O)C1 ZINC000969409770 658986447 /nfs/dbraw/zinc/98/64/47/658986447.db2.gz GMTZESACJSJVIX-KOLCDFICSA-N 2 1 268.361 -0.998 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969948339 659025013 /nfs/dbraw/zinc/02/50/13/659025013.db2.gz KAPOTSCCTSQRFI-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000969954163 659025363 /nfs/dbraw/zinc/02/53/63/659025363.db2.gz ANMTZCPELHPEKJ-GHMZBOCLSA-N 2 1 268.361 -0.996 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000969967422 659027138 /nfs/dbraw/zinc/02/71/38/659027138.db2.gz DBVCGTVJDZRTLB-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CCO)C1 ZINC000969968404 659027711 /nfs/dbraw/zinc/02/77/11/659027711.db2.gz ITQPJKBACNFLPY-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)CCCC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928564788 659045962 /nfs/dbraw/zinc/04/59/62/659045962.db2.gz ZARBUJJQWXWYDA-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000970724820 659070259 /nfs/dbraw/zinc/07/02/59/659070259.db2.gz VNIZWNAVMCQWQH-VXGBXAGGSA-N 2 1 291.355 -0.729 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCO)C1 ZINC000970879352 659074198 /nfs/dbraw/zinc/07/41/98/659074198.db2.gz VTBDXHNHJFXGDK-MNOVXSKESA-N 2 1 255.362 -0.633 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCO)C2)O1 ZINC000971782290 659098171 /nfs/dbraw/zinc/09/81/71/659098171.db2.gz RTYKKSHSUPKQBZ-JHJVBQTASA-N 2 1 285.388 -0.770 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCO)C2)O1 ZINC000971782290 659098174 /nfs/dbraw/zinc/09/81/74/659098174.db2.gz RTYKKSHSUPKQBZ-JHJVBQTASA-N 2 1 285.388 -0.770 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCO)C2)O1 ZINC000971782290 659098181 /nfs/dbraw/zinc/09/81/81/659098181.db2.gz RTYKKSHSUPKQBZ-JHJVBQTASA-N 2 1 285.388 -0.770 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)O1 ZINC000971782290 659098186 /nfs/dbraw/zinc/09/81/86/659098186.db2.gz RTYKKSHSUPKQBZ-JHJVBQTASA-N 2 1 285.388 -0.770 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000971951047 659101592 /nfs/dbraw/zinc/10/15/92/659101592.db2.gz XNPWMDCHPOEYIX-LBPRGKRZSA-N 2 1 266.345 -0.283 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000971951047 659101578 /nfs/dbraw/zinc/10/15/78/659101578.db2.gz XNPWMDCHPOEYIX-LBPRGKRZSA-N 2 1 266.345 -0.283 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(N)=O)C2)CC[N@@H+]1C ZINC000972174816 659107080 /nfs/dbraw/zinc/10/70/80/659107080.db2.gz AFCVYJDJITVCQX-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(N)=O)C2)CC[N@H+]1C ZINC000972174816 659107085 /nfs/dbraw/zinc/10/70/85/659107085.db2.gz AFCVYJDJITVCQX-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000972174816 659107093 /nfs/dbraw/zinc/10/70/93/659107093.db2.gz AFCVYJDJITVCQX-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000972174816 659107101 /nfs/dbraw/zinc/10/71/01/659107101.db2.gz AFCVYJDJITVCQX-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972734898 659125971 /nfs/dbraw/zinc/12/59/71/659125971.db2.gz HCYCXWIRAVZMIC-NWDGAFQWSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972734900 659126866 /nfs/dbraw/zinc/12/68/66/659126866.db2.gz HCYCXWIRAVZMIC-VXGBXAGGSA-N 2 1 294.399 -0.511 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000929651159 659156322 /nfs/dbraw/zinc/15/63/22/659156322.db2.gz DWQNDJGEHHODKE-CYBMUJFWSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000929651159 659156328 /nfs/dbraw/zinc/15/63/28/659156328.db2.gz DWQNDJGEHHODKE-CYBMUJFWSA-N 2 1 296.415 -0.075 20 0 CBADMP C[N@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C)C1CC1 ZINC000929712965 659163133 /nfs/dbraw/zinc/16/31/33/659163133.db2.gz YQRFAYHAWHUXND-LLVKDONJSA-N 2 1 268.361 -0.983 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C)C1CC1 ZINC000929712965 659163141 /nfs/dbraw/zinc/16/31/41/659163141.db2.gz YQRFAYHAWHUXND-LLVKDONJSA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C1CC1 ZINC000929712965 659163146 /nfs/dbraw/zinc/16/31/46/659163146.db2.gz YQRFAYHAWHUXND-LLVKDONJSA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)C1CC1 ZINC000929712965 659163152 /nfs/dbraw/zinc/16/31/52/659163152.db2.gz YQRFAYHAWHUXND-LLVKDONJSA-N 2 1 268.361 -0.983 20 0 CBADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](O)CO)C1 ZINC000929769872 659170205 /nfs/dbraw/zinc/17/02/05/659170205.db2.gz BPWDGWDJDBDMHB-STQMWFEESA-N 2 1 260.378 -0.228 20 0 CBADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](O)CO)C1 ZINC000929769871 659170538 /nfs/dbraw/zinc/17/05/38/659170538.db2.gz BPWDGWDJDBDMHB-QWHCGFSZSA-N 2 1 260.378 -0.228 20 0 CBADMP C[C@H](O)[C@H](O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000930059456 659201855 /nfs/dbraw/zinc/20/18/55/659201855.db2.gz DDETZOQXGHUMND-RYMFRWLXSA-N 2 1 272.389 -0.088 20 0 CBADMP C[C@@H](CNC(=O)CN1C[C@@H](C)[C@@H](O)C1)[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000930161280 659227909 /nfs/dbraw/zinc/22/79/09/659227909.db2.gz IJBYSFFTWKVEAK-QMVSFRDZSA-N 2 1 299.415 -0.884 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1)[NH+]1C[C@H](O)[C@@H](C)C1 ZINC000930161280 659227938 /nfs/dbraw/zinc/22/79/38/659227938.db2.gz IJBYSFFTWKVEAK-QMVSFRDZSA-N 2 1 299.415 -0.884 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1C[C@@H](C)[C@@H](O)C1)[NH+]1C[C@H](O)[C@@H](C)C1 ZINC000930161280 659227963 /nfs/dbraw/zinc/22/79/63/659227963.db2.gz IJBYSFFTWKVEAK-QMVSFRDZSA-N 2 1 299.415 -0.884 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1C[C@@H](C)[C@@H](O)C1)[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000930161280 659227978 /nfs/dbraw/zinc/22/79/78/659227978.db2.gz IJBYSFFTWKVEAK-QMVSFRDZSA-N 2 1 299.415 -0.884 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1C[C@@H](C)[C@@H](O)C1)[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000930161280 659227986 /nfs/dbraw/zinc/22/79/86/659227986.db2.gz IJBYSFFTWKVEAK-QMVSFRDZSA-N 2 1 299.415 -0.884 20 0 CBADMP O=C([C@H]1C[NH+]2CCC[C@H]2CO1)N1CCC[N@H+](CCO)CC1 ZINC000981208705 659310356 /nfs/dbraw/zinc/31/03/56/659310356.db2.gz BOKBUZLGUFSEIJ-UONOGXRCSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[NH+](CCO)CC1 ZINC000981208705 659310359 /nfs/dbraw/zinc/31/03/59/659310359.db2.gz BOKBUZLGUFSEIJ-UONOGXRCSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C([C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[NH+](CCO)CC1 ZINC000981208705 659310366 /nfs/dbraw/zinc/31/03/66/659310366.db2.gz BOKBUZLGUFSEIJ-UONOGXRCSA-N 2 1 297.399 -0.624 20 0 CBADMP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)C[C@H](C)[N@@H+]1CCO ZINC000930645646 659315300 /nfs/dbraw/zinc/31/53/00/659315300.db2.gz ZNYNQLQDEYKFTJ-QLFBSQMISA-N 2 1 285.432 -0.170 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[NH+](CCO)CC1 ZINC000981953219 659337461 /nfs/dbraw/zinc/33/74/61/659337461.db2.gz JNMUEWMMQGRETE-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[N@H+](CCO)CC1 ZINC000981953219 659337465 /nfs/dbraw/zinc/33/74/65/659337465.db2.gz JNMUEWMMQGRETE-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[N@@H+](CCO)CC1 ZINC000981953219 659337471 /nfs/dbraw/zinc/33/74/71/659337471.db2.gz JNMUEWMMQGRETE-ZDUSSCGKSA-N 2 1 269.389 -0.003 20 0 CBADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](O)CO)CC2)CC1 ZINC000930751534 659337684 /nfs/dbraw/zinc/33/76/84/659337684.db2.gz NNTYOKLKGRBEQN-OAHLLOKOSA-N 2 1 285.432 -0.168 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC[NH+](CCO)CC1 ZINC000981958587 659337828 /nfs/dbraw/zinc/33/78/28/659337828.db2.gz GAUHXXOVIJLLNY-QWHCGFSZSA-N 2 1 269.389 -0.289 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@H+](CCO)CC1 ZINC000981958587 659337830 /nfs/dbraw/zinc/33/78/30/659337830.db2.gz GAUHXXOVIJLLNY-QWHCGFSZSA-N 2 1 269.389 -0.289 20 0 CBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@@H+](CCO)CC1 ZINC000981958587 659337835 /nfs/dbraw/zinc/33/78/35/659337835.db2.gz GAUHXXOVIJLLNY-QWHCGFSZSA-N 2 1 269.389 -0.289 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982149265 659340524 /nfs/dbraw/zinc/34/05/24/659340524.db2.gz PNYOVLDHSBYFQG-UHFFFAOYSA-N 2 1 281.400 -0.001 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC000930902672 659363131 /nfs/dbraw/zinc/36/31/31/659363131.db2.gz DQUQSDWZXGBFNW-OLZOCXBDSA-N 2 1 272.389 -0.349 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC000930902672 659363135 /nfs/dbraw/zinc/36/31/35/659363135.db2.gz DQUQSDWZXGBFNW-OLZOCXBDSA-N 2 1 272.389 -0.349 20 0 CBADMP CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)CC(N)=O)CC1)[NH+](C)C ZINC000985483486 659387745 /nfs/dbraw/zinc/38/77/45/659387745.db2.gz ZQRHZIUFDMNRSA-AWEZNQCLSA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000985790057 659399323 /nfs/dbraw/zinc/39/93/23/659399323.db2.gz OSXDRPBEADCOFF-GFCCVEGCSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000987188752 659494663 /nfs/dbraw/zinc/49/46/63/659494663.db2.gz BEQWFVXRNYPVFB-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CCO)[C@H]1C ZINC000987515632 659509911 /nfs/dbraw/zinc/50/99/11/659509911.db2.gz BVIVOHVHTOYESC-ZYHUDNBSSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC000987531098 659511051 /nfs/dbraw/zinc/51/10/51/659511051.db2.gz KEWYZJRPJNVFNF-ONGXEEELSA-N 2 1 279.344 -0.744 20 0 CBADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931874887 659533732 /nfs/dbraw/zinc/53/37/32/659533732.db2.gz MEPOZBOPAWJFEC-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931874887 659533745 /nfs/dbraw/zinc/53/37/45/659533745.db2.gz MEPOZBOPAWJFEC-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931874887 659533782 /nfs/dbraw/zinc/53/37/82/659533782.db2.gz MEPOZBOPAWJFEC-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931874887 659533803 /nfs/dbraw/zinc/53/38/03/659533803.db2.gz MEPOZBOPAWJFEC-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931876638 659538190 /nfs/dbraw/zinc/53/81/90/659538190.db2.gz MURWJXVDTIHECQ-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931876638 659538199 /nfs/dbraw/zinc/53/81/99/659538199.db2.gz MURWJXVDTIHECQ-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931876638 659538206 /nfs/dbraw/zinc/53/82/06/659538206.db2.gz MURWJXVDTIHECQ-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931876638 659538218 /nfs/dbraw/zinc/53/82/18/659538218.db2.gz MURWJXVDTIHECQ-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931878672 659538511 /nfs/dbraw/zinc/53/85/11/659538511.db2.gz SLAZZPJQBAKBCX-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931878672 659538515 /nfs/dbraw/zinc/53/85/15/659538515.db2.gz SLAZZPJQBAKBCX-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CCN1C)[C@H]1CC[N@@H+](C)C1 ZINC000931884072 659548579 /nfs/dbraw/zinc/54/85/79/659548579.db2.gz DPMFHVLEOBRETM-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CC[N@@H+](C)C1 ZINC000931884072 659548593 /nfs/dbraw/zinc/54/85/93/659548593.db2.gz DPMFHVLEOBRETM-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000931884072 659548598 /nfs/dbraw/zinc/54/85/98/659548598.db2.gz DPMFHVLEOBRETM-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000931884072 659548600 /nfs/dbraw/zinc/54/86/00/659548600.db2.gz DPMFHVLEOBRETM-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931884492 659549933 /nfs/dbraw/zinc/54/99/33/659549933.db2.gz HVQRSNFMOMUART-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931884492 659549948 /nfs/dbraw/zinc/54/99/48/659549948.db2.gz HVQRSNFMOMUART-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CCN1C)[C@@H]1CC[N@@H+](C)C1 ZINC000931884069 659550296 /nfs/dbraw/zinc/55/02/96/659550296.db2.gz DPMFHVLEOBRETM-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@@H]1CC[N@@H+](C)C1 ZINC000931884069 659550310 /nfs/dbraw/zinc/55/03/10/659550310.db2.gz DPMFHVLEOBRETM-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000931884069 659550320 /nfs/dbraw/zinc/55/03/20/659550320.db2.gz DPMFHVLEOBRETM-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000931884069 659550327 /nfs/dbraw/zinc/55/03/27/659550327.db2.gz DPMFHVLEOBRETM-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C3OCCO3)C2)CC1 ZINC000932000073 659562894 /nfs/dbraw/zinc/56/28/94/659562894.db2.gz ZVFASMZMWVUPAD-GFCCVEGCSA-N 2 1 297.399 -0.108 20 0 CBADMP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988968286 659564669 /nfs/dbraw/zinc/56/46/69/659564669.db2.gz RRKZAQDWBWXVCD-QWRGUYRKSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H](O)C[N@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989490602 659589677 /nfs/dbraw/zinc/58/96/77/659589677.db2.gz CXPKOAZTDPYXLI-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989665634 659607174 /nfs/dbraw/zinc/60/71/74/659607174.db2.gz ILCNBRMEGYZNMT-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989665634 659607179 /nfs/dbraw/zinc/60/71/79/659607179.db2.gz ILCNBRMEGYZNMT-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989665634 659607182 /nfs/dbraw/zinc/60/71/82/659607182.db2.gz ILCNBRMEGYZNMT-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989665634 659607186 /nfs/dbraw/zinc/60/71/86/659607186.db2.gz ILCNBRMEGYZNMT-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](C[C@H](C)O)CC2)C1 ZINC000989707467 659609740 /nfs/dbraw/zinc/60/97/40/659609740.db2.gz DRZPWNROULAHJC-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](C[C@H](C)O)CC2)C1 ZINC000989707467 659609742 /nfs/dbraw/zinc/60/97/42/659609742.db2.gz DRZPWNROULAHJC-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](C[C@H](C)O)CC2)C1 ZINC000989707467 659609746 /nfs/dbraw/zinc/60/97/46/659609746.db2.gz DRZPWNROULAHJC-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](C[C@H](C)O)CC2)C1 ZINC000989707467 659609751 /nfs/dbraw/zinc/60/97/51/659609751.db2.gz DRZPWNROULAHJC-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC000989799543 659615365 /nfs/dbraw/zinc/61/53/65/659615365.db2.gz MWQHFVAOAVDYST-MWLCHTKSSA-N 2 1 279.344 -0.744 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1N(CC(N)=O)CC2 ZINC000990025275 659646195 /nfs/dbraw/zinc/64/61/95/659646195.db2.gz IFFLUSMQYFPZOF-TYNCELHUSA-N 2 1 294.399 -0.321 20 0 CBADMP CN1CCC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1N(CC(N)=O)CC2 ZINC000990025275 659646197 /nfs/dbraw/zinc/64/61/97/659646197.db2.gz IFFLUSMQYFPZOF-TYNCELHUSA-N 2 1 294.399 -0.321 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000990526405 659757538 /nfs/dbraw/zinc/75/75/38/659757538.db2.gz RJDLJJWGOXQGJG-WCQYABFASA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000990526405 659757544 /nfs/dbraw/zinc/75/75/44/659757544.db2.gz RJDLJJWGOXQGJG-WCQYABFASA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000990526405 659757551 /nfs/dbraw/zinc/75/75/51/659757551.db2.gz RJDLJJWGOXQGJG-WCQYABFASA-N 2 1 294.399 -0.641 20 0 CBADMP CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000990568989 659761693 /nfs/dbraw/zinc/76/16/93/659761693.db2.gz BHANEWBBWVMUQK-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000990568989 659761704 /nfs/dbraw/zinc/76/17/04/659761704.db2.gz BHANEWBBWVMUQK-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991710328 659841498 /nfs/dbraw/zinc/84/14/98/659841498.db2.gz MNGJDSXYCDLZFU-WCQYABFASA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000991710328 659841499 /nfs/dbraw/zinc/84/14/99/659841499.db2.gz MNGJDSXYCDLZFU-WCQYABFASA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000991710328 659841500 /nfs/dbraw/zinc/84/15/00/659841500.db2.gz MNGJDSXYCDLZFU-WCQYABFASA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](CC(N)=O)CC3)C1 ZINC000992474935 659857428 /nfs/dbraw/zinc/85/74/28/659857428.db2.gz IXTVQSCQDUFVLR-ZOWXZIJZSA-N 2 1 294.399 -0.463 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](CC(N)=O)CC3)C1 ZINC000992474935 659857429 /nfs/dbraw/zinc/85/74/29/659857429.db2.gz IXTVQSCQDUFVLR-ZOWXZIJZSA-N 2 1 294.399 -0.463 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)C1 ZINC000992474935 659857430 /nfs/dbraw/zinc/85/74/30/659857430.db2.gz IXTVQSCQDUFVLR-ZOWXZIJZSA-N 2 1 294.399 -0.463 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)C1 ZINC000992474935 659857433 /nfs/dbraw/zinc/85/74/33/659857433.db2.gz IXTVQSCQDUFVLR-ZOWXZIJZSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)O1 ZINC000995959721 659919888 /nfs/dbraw/zinc/91/98/88/659919888.db2.gz RXRJJVOOFMDVHZ-UPJWGTAASA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)O1 ZINC000995959721 659919894 /nfs/dbraw/zinc/91/98/94/659919894.db2.gz RXRJJVOOFMDVHZ-UPJWGTAASA-N 2 1 299.415 -0.476 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995986596 659921209 /nfs/dbraw/zinc/92/12/09/659921209.db2.gz YXWDXHDIFHWHQU-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCO[C@@H]2CN(c3ncc4c(n3)C[NH2+]C4)C[C@H]21 ZINC001164669303 719392395 /nfs/dbraw/zinc/39/23/95/719392395.db2.gz UQWDXODHOLNGHW-VXGBXAGGSA-N 2 1 261.329 -0.401 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001076462502 805575752 /nfs/dbraw/zinc/57/57/52/805575752.db2.gz XFTSVGCZKDTDMR-MELADBBJSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001076462502 805575757 /nfs/dbraw/zinc/57/57/57/805575757.db2.gz XFTSVGCZKDTDMR-MELADBBJSA-N 2 1 281.400 -0.147 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001076462502 805575760 /nfs/dbraw/zinc/57/57/60/805575760.db2.gz XFTSVGCZKDTDMR-MELADBBJSA-N 2 1 281.400 -0.147 20 0 CBADMP O=C(N1CC[C@H]2C[N@H+](CCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076465606 805577936 /nfs/dbraw/zinc/57/79/36/805577936.db2.gz NFCZBOZBHUEIFS-QWHCGFSZSA-N 2 1 279.384 -0.393 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076574590 805581804 /nfs/dbraw/zinc/58/18/04/805581804.db2.gz KUIFFCFIDXKMMH-MELADBBJSA-N 2 1 281.400 -0.004 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147886366 814924116 /nfs/dbraw/zinc/92/41/16/814924116.db2.gz VKAIJXOEBOXIJZ-GHMZBOCLSA-N 2 1 270.377 -0.832 20 0 CBADMP CC[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000042468458 790327339 /nfs/dbraw/zinc/32/73/39/790327339.db2.gz NZKJSGZHSJHOOS-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[NH+]1CCC(N(C)C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088358003 790366512 /nfs/dbraw/zinc/36/65/12/790366512.db2.gz JHUGTBQMTGWZFN-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1(C)C ZINC000091312229 790370902 /nfs/dbraw/zinc/37/09/02/790370902.db2.gz JJWQLOOLGFMOFW-NSHDSACASA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH2+][C@@H](C(=O)NCC[NH+]1CCCC1)c1cnn(C)c1 ZINC000262495616 790453384 /nfs/dbraw/zinc/45/33/84/790453384.db2.gz IDTQKLHOPLZGAZ-GFCCVEGCSA-N 2 1 265.361 -0.107 20 0 CBADMP c1ncn(CC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000310899689 790476685 /nfs/dbraw/zinc/47/66/85/790476685.db2.gz MOBSCHSQZVDUGH-LBPRGKRZSA-N 2 1 250.350 -0.742 20 0 CBADMP CN(C[C@H](O)C[NH+]1CCOCC1)C[C@@H]1CCC[NH2+]1 ZINC000385998687 790544957 /nfs/dbraw/zinc/54/49/57/790544957.db2.gz STHQPCSEIBEUJE-STQMWFEESA-N 2 1 257.378 -0.637 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000386343913 790548852 /nfs/dbraw/zinc/54/88/52/790548852.db2.gz LZCINABJRGQPDU-AGIUHOORSA-N 2 1 259.394 -0.392 20 0 CBADMP CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000388248079 790555479 /nfs/dbraw/zinc/55/54/79/790555479.db2.gz GTTGJJUULFNZOV-VXGBXAGGSA-N 2 1 291.417 -0.669 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000388673167 790559526 /nfs/dbraw/zinc/55/95/26/790559526.db2.gz CXMZZMLKCLEPAY-HZSPNIEDSA-N 2 1 273.421 -0.015 20 0 CBADMP CC[N@H+]1CC[C@@H](NS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000389600546 790560784 /nfs/dbraw/zinc/56/07/84/790560784.db2.gz SYUMZQSERQVISF-GFCCVEGCSA-N 2 1 275.418 0.000 20 0 CBADMP C[NH2+]C[C@@H]1CCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000394077095 790576703 /nfs/dbraw/zinc/57/67/03/790576703.db2.gz CERBTPCEUXCQPT-QWHCGFSZSA-N 2 1 259.394 -0.533 20 0 CBADMP [NH3+][C@H](CC1CC1)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394383811 790577254 /nfs/dbraw/zinc/57/72/54/790577254.db2.gz GHSJOZBUGFFLJZ-CHWSQXEVSA-N 2 1 266.389 -0.380 20 0 CBADMP COC(=O)[C@](C)(O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000394092604 790577354 /nfs/dbraw/zinc/57/73/54/790577354.db2.gz JWIBIJXGVOSTCP-DMDPSCGWSA-N 2 1 256.346 -0.206 20 0 CBADMP COC(=O)[C@](C)(O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000394092604 790577358 /nfs/dbraw/zinc/57/73/58/790577358.db2.gz JWIBIJXGVOSTCP-DMDPSCGWSA-N 2 1 256.346 -0.206 20 0 CBADMP COC(=O)[C@](C)(O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000394092604 790577369 /nfs/dbraw/zinc/57/73/69/790577369.db2.gz JWIBIJXGVOSTCP-DMDPSCGWSA-N 2 1 256.346 -0.206 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000394133484 790577675 /nfs/dbraw/zinc/57/76/75/790577675.db2.gz OHPSKJUUHDHSKJ-STQMWFEESA-N 2 1 259.394 -0.404 20 0 CBADMP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000394133484 790577679 /nfs/dbraw/zinc/57/76/79/790577679.db2.gz OHPSKJUUHDHSKJ-STQMWFEESA-N 2 1 259.394 -0.404 20 0 CBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000394133484 790577689 /nfs/dbraw/zinc/57/76/89/790577689.db2.gz OHPSKJUUHDHSKJ-STQMWFEESA-N 2 1 259.394 -0.404 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC000401185910 790607214 /nfs/dbraw/zinc/60/72/14/790607214.db2.gz FASBRVJTGCXYHX-RFGFWPKPSA-N 2 1 273.421 -0.004 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC000401185914 790607373 /nfs/dbraw/zinc/60/73/73/790607373.db2.gz FASBRVJTGCXYHX-SYQHCUMBSA-N 2 1 273.421 -0.004 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC000401185912 790607519 /nfs/dbraw/zinc/60/75/19/790607519.db2.gz FASBRVJTGCXYHX-RQJABVFESA-N 2 1 273.421 -0.004 20 0 CBADMP CC(C)C[NH+]1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000405090010 790613967 /nfs/dbraw/zinc/61/39/67/790613967.db2.gz GEZFEOMPPFXXCO-UHFFFAOYSA-N 2 1 261.391 -0.438 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](N3C(=O)CNC3=O)C2)CC1 ZINC000585379936 790636821 /nfs/dbraw/zinc/63/68/21/790636821.db2.gz PVLJIANDVSTXHO-LLVKDONJSA-N 2 1 266.345 -0.293 20 0 CBADMP C[NH+]1CCC(N2CC[C@@H](N3C(=O)CNC3=O)C2)CC1 ZINC000585379936 790636829 /nfs/dbraw/zinc/63/68/29/790636829.db2.gz PVLJIANDVSTXHO-LLVKDONJSA-N 2 1 266.345 -0.293 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000686191467 790648627 /nfs/dbraw/zinc/64/86/27/790648627.db2.gz AGTCSFGRWOAKPS-LLVKDONJSA-N 2 1 255.362 -0.489 20 0 CBADMP C[N@@H+]1CCN(C[C@H](O)C[NH+]2CCCC2)C[C@@H]1CO ZINC000687589324 790653533 /nfs/dbraw/zinc/65/35/33/790653533.db2.gz KYRQCUOIZVTQBL-CHWSQXEVSA-N 2 1 257.378 -0.949 20 0 CBADMP C[N@H+]1CCN(C[C@H](O)C[NH+]2CCCC2)C[C@@H]1CO ZINC000687589324 790653539 /nfs/dbraw/zinc/65/35/39/790653539.db2.gz KYRQCUOIZVTQBL-CHWSQXEVSA-N 2 1 257.378 -0.949 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)C1CC[NH+](C)CC1 ZINC000691285679 790674589 /nfs/dbraw/zinc/67/45/89/790674589.db2.gz HXOGTPGMDRJMHS-UHFFFAOYSA-N 2 1 257.378 -0.289 20 0 CBADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000692440866 790675773 /nfs/dbraw/zinc/67/57/73/790675773.db2.gz PTBWERJEUOUICJ-MNOVXSKESA-N 2 1 263.407 -0.002 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000692359993 790676838 /nfs/dbraw/zinc/67/68/38/790676838.db2.gz YFMNPMUGFQCHAX-HZSPNIEDSA-N 2 1 273.421 -0.015 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@H+](C)CCOCC[NH3+])CCO1 ZINC000699191021 790699583 /nfs/dbraw/zinc/69/95/83/790699583.db2.gz ZPBVNDQAPBMMBT-LLVKDONJSA-N 2 1 259.350 -0.859 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CCOCC[NH3+])CCO1 ZINC000699191021 790699588 /nfs/dbraw/zinc/69/95/88/790699588.db2.gz ZPBVNDQAPBMMBT-LLVKDONJSA-N 2 1 259.350 -0.859 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@]1(O)CCSC1)C1CC1 ZINC000705308327 790724650 /nfs/dbraw/zinc/72/46/50/790724650.db2.gz ZXDWGDWUZLZBHQ-RYUDHWBXSA-N 2 1 260.403 -0.101 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@]1(O)CCSC1)C1CC1 ZINC000705308327 790724658 /nfs/dbraw/zinc/72/46/58/790724658.db2.gz ZXDWGDWUZLZBHQ-RYUDHWBXSA-N 2 1 260.403 -0.101 20 0 CBADMP [NH3+]CCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000708860021 790735940 /nfs/dbraw/zinc/73/59/40/790735940.db2.gz YUFBQWDETJDCPO-MNOVXSKESA-N 2 1 262.375 -0.387 20 0 CBADMP [NH3+]CCOCC[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000708860021 790735949 /nfs/dbraw/zinc/73/59/49/790735949.db2.gz YUFBQWDETJDCPO-MNOVXSKESA-N 2 1 262.375 -0.387 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720822680 790771903 /nfs/dbraw/zinc/77/19/03/790771903.db2.gz NVHDXAHMWABRGG-BFHYXJOUSA-N 2 1 271.405 -0.533 20 0 CBADMP C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)C1C[NH2+]C1 ZINC000721844657 790783673 /nfs/dbraw/zinc/78/36/73/790783673.db2.gz LKGIEJPJBAATSS-JTQLQIEISA-N 2 1 261.391 -0.391 20 0 CBADMP COC[C@@H](C)OC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723844228 790803240 /nfs/dbraw/zinc/80/32/40/790803240.db2.gz LRUFLFYXMKNFLH-FDYHWXHSSA-N 2 1 260.378 -0.075 20 0 CBADMP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723672137 790803818 /nfs/dbraw/zinc/80/38/18/790803818.db2.gz JNPKLYRVFBVJLK-JTQLQIEISA-N 2 1 256.350 -0.107 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724575825 790807598 /nfs/dbraw/zinc/80/75/98/790807598.db2.gz CRROBYUNIWRMEE-MELADBBJSA-N 2 1 269.389 -0.373 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724599513 790807012 /nfs/dbraw/zinc/80/70/12/790807012.db2.gz LBDKWDIBKOMJFH-FRRDWIJNSA-N 2 1 258.362 -0.042 20 0 CBADMP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000828697244 790888383 /nfs/dbraw/zinc/88/83/83/790888383.db2.gz JPFQIBXGDIIGCN-TZMCWYRMSA-N 2 1 283.372 -0.920 20 0 CBADMP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCC[N@H+]1C1CC1 ZINC000828697244 790888394 /nfs/dbraw/zinc/88/83/94/790888394.db2.gz JPFQIBXGDIIGCN-TZMCWYRMSA-N 2 1 283.372 -0.920 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)CC[N@H+]1C ZINC001022109089 790992081 /nfs/dbraw/zinc/99/20/81/790992081.db2.gz DXKYTBHHLAYPQA-QNWHQSFQSA-N 2 1 269.389 -0.054 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001022164874 790993332 /nfs/dbraw/zinc/99/33/32/790993332.db2.gz SNNYANZNADZLNS-FVCCEPFGSA-N 2 1 296.415 -0.029 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022202249 790997661 /nfs/dbraw/zinc/99/76/61/790997661.db2.gz URAJIICQEYTETK-FRRDWIJNSA-N 2 1 296.415 -0.029 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022292694 791001466 /nfs/dbraw/zinc/00/14/66/791001466.db2.gz PQZHVYBWOURILT-YVECIDJPSA-N 2 1 294.399 -0.404 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)no1 ZINC001022340850 791007213 /nfs/dbraw/zinc/00/72/13/791007213.db2.gz KQLGNSJPSCQSJJ-AOOOYVTPSA-N 2 1 282.344 -0.421 20 0 CBADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022717208 791042679 /nfs/dbraw/zinc/04/26/79/791042679.db2.gz SVNQWWZJZLPOSP-TXEJJXNPSA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1)C(N)=O ZINC001022717467 791043350 /nfs/dbraw/zinc/04/33/50/791043350.db2.gz XTYPKVKXJLJPPX-UTUOFQBUSA-N 2 1 296.415 -0.171 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001076987173 805669608 /nfs/dbraw/zinc/66/96/08/805669608.db2.gz FLTGABRNVFTNQV-JHJVBQTASA-N 2 1 285.388 -0.987 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001076987173 805669613 /nfs/dbraw/zinc/66/96/13/805669613.db2.gz FLTGABRNVFTNQV-JHJVBQTASA-N 2 1 285.388 -0.987 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001076987173 805669617 /nfs/dbraw/zinc/66/96/17/805669617.db2.gz FLTGABRNVFTNQV-JHJVBQTASA-N 2 1 285.388 -0.987 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001076987173 805669621 /nfs/dbraw/zinc/66/96/21/805669621.db2.gz FLTGABRNVFTNQV-JHJVBQTASA-N 2 1 285.388 -0.987 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077003988 805670446 /nfs/dbraw/zinc/67/04/46/805670446.db2.gz IHPDKUGLHVIEOJ-MGPQQGTHSA-N 2 1 281.400 -0.101 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077002960 805671353 /nfs/dbraw/zinc/67/13/53/805671353.db2.gz NNJJCJNBYXCWJT-JHJVBQTASA-N 2 1 267.373 -0.491 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)O1 ZINC001077220529 805700444 /nfs/dbraw/zinc/70/04/44/805700444.db2.gz NOCXGTONDIYCTQ-FMKGYKFTSA-N 2 1 297.399 -0.723 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)O1 ZINC001077220529 805700451 /nfs/dbraw/zinc/70/04/51/805700451.db2.gz NOCXGTONDIYCTQ-FMKGYKFTSA-N 2 1 297.399 -0.723 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)O1 ZINC001077220529 805700459 /nfs/dbraw/zinc/70/04/59/805700459.db2.gz NOCXGTONDIYCTQ-FMKGYKFTSA-N 2 1 297.399 -0.723 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)O1 ZINC001077220529 805700465 /nfs/dbraw/zinc/70/04/65/805700465.db2.gz NOCXGTONDIYCTQ-FMKGYKFTSA-N 2 1 297.399 -0.723 20 0 CBADMP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077222537 805701180 /nfs/dbraw/zinc/70/11/80/805701180.db2.gz QEFVIBMNVWWOSF-FDYHWXHSSA-N 2 1 285.388 -0.723 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077222537 805701187 /nfs/dbraw/zinc/70/11/87/805701187.db2.gz QEFVIBMNVWWOSF-FDYHWXHSSA-N 2 1 285.388 -0.723 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001077222537 805701191 /nfs/dbraw/zinc/70/11/91/805701191.db2.gz QEFVIBMNVWWOSF-FDYHWXHSSA-N 2 1 285.388 -0.723 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001077222537 805701198 /nfs/dbraw/zinc/70/11/98/805701198.db2.gz QEFVIBMNVWWOSF-FDYHWXHSSA-N 2 1 285.388 -0.723 20 0 CBADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219273 805702258 /nfs/dbraw/zinc/70/22/58/805702258.db2.gz NSRLHPKSPWPZJS-CHWSQXEVSA-N 2 1 297.399 -0.984 20 0 CBADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219273 805702269 /nfs/dbraw/zinc/70/22/69/805702269.db2.gz NSRLHPKSPWPZJS-CHWSQXEVSA-N 2 1 297.399 -0.984 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)c1nnnn1C ZINC001147886018 814924410 /nfs/dbraw/zinc/92/44/10/814924410.db2.gz RNIXNKCPKJIVLO-GHMZBOCLSA-N 2 1 295.391 -0.681 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1nnnn1C ZINC001147886018 814924415 /nfs/dbraw/zinc/92/44/15/814924415.db2.gz RNIXNKCPKJIVLO-GHMZBOCLSA-N 2 1 295.391 -0.681 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299440 805716596 /nfs/dbraw/zinc/71/65/96/805716596.db2.gz BOERBISTHMEFOK-JHJVBQTASA-N 2 1 297.399 -0.843 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299440 805716604 /nfs/dbraw/zinc/71/66/04/805716604.db2.gz BOERBISTHMEFOK-JHJVBQTASA-N 2 1 297.399 -0.843 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418526 805729025 /nfs/dbraw/zinc/72/90/25/805729025.db2.gz STIAPRISODZIJJ-UNOFRPGUSA-N 2 1 295.383 -0.969 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418526 805729028 /nfs/dbraw/zinc/72/90/28/805729028.db2.gz STIAPRISODZIJJ-UNOFRPGUSA-N 2 1 295.383 -0.969 20 0 CBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418526 805729033 /nfs/dbraw/zinc/72/90/33/805729033.db2.gz STIAPRISODZIJJ-UNOFRPGUSA-N 2 1 295.383 -0.969 20 0 CBADMP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001077503934 805738900 /nfs/dbraw/zinc/73/89/00/805738900.db2.gz NBZVYMMRGRZOCZ-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001077503934 805738905 /nfs/dbraw/zinc/73/89/05/805738905.db2.gz NBZVYMMRGRZOCZ-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077680651 805767873 /nfs/dbraw/zinc/76/78/73/805767873.db2.gz QLMIEYRONKHGIZ-YNEHKIRRSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001077680651 805767878 /nfs/dbraw/zinc/76/78/78/805767878.db2.gz QLMIEYRONKHGIZ-YNEHKIRRSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001077680651 805767880 /nfs/dbraw/zinc/76/78/80/805767880.db2.gz QLMIEYRONKHGIZ-YNEHKIRRSA-N 2 1 269.389 -0.101 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900521 814925720 /nfs/dbraw/zinc/92/57/20/814925720.db2.gz PEKQVJXFWRVJEC-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175736 805848312 /nfs/dbraw/zinc/84/83/12/805848312.db2.gz KHRULUZXFJQEPY-YNEHKIRRSA-N 2 1 269.389 -0.245 20 0 CBADMP CC(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078175736 805848320 /nfs/dbraw/zinc/84/83/20/805848320.db2.gz KHRULUZXFJQEPY-YNEHKIRRSA-N 2 1 269.389 -0.245 20 0 CBADMP CC(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078175736 805848328 /nfs/dbraw/zinc/84/83/28/805848328.db2.gz KHRULUZXFJQEPY-YNEHKIRRSA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179900 805851834 /nfs/dbraw/zinc/85/18/34/805851834.db2.gz COZQNCFERFWWTH-JHJVBQTASA-N 2 1 287.379 -0.008 20 0 CBADMP C[C@@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179900 805851846 /nfs/dbraw/zinc/85/18/46/805851846.db2.gz COZQNCFERFWWTH-JHJVBQTASA-N 2 1 287.379 -0.008 20 0 CBADMP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183308 805853812 /nfs/dbraw/zinc/85/38/12/805853812.db2.gz LFLOXDZOOWHPRU-RAIGVLPGSA-N 2 1 296.371 -0.612 20 0 CBADMP CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183308 805853822 /nfs/dbraw/zinc/85/38/22/805853822.db2.gz LFLOXDZOOWHPRU-RAIGVLPGSA-N 2 1 296.371 -0.612 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001078510070 805878642 /nfs/dbraw/zinc/87/86/42/805878642.db2.gz PQEKIVHTQFPQIH-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001078510070 805878650 /nfs/dbraw/zinc/87/86/50/805878650.db2.gz PQEKIVHTQFPQIH-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900523 814926832 /nfs/dbraw/zinc/92/68/32/814926832.db2.gz PEKQVJXFWRVJEC-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558993 805989115 /nfs/dbraw/zinc/98/91/15/805989115.db2.gz OSWXSVGLUBSPCZ-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558993 805989124 /nfs/dbraw/zinc/98/91/24/805989124.db2.gz OSWXSVGLUBSPCZ-DGCLKSJQSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080782773 806010078 /nfs/dbraw/zinc/01/00/78/806010078.db2.gz AMRPUMNSELGCBV-FRRDWIJNSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080782773 806010079 /nfs/dbraw/zinc/01/00/79/806010079.db2.gz AMRPUMNSELGCBV-FRRDWIJNSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080782773 806010090 /nfs/dbraw/zinc/01/00/90/806010090.db2.gz AMRPUMNSELGCBV-FRRDWIJNSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080936365 806018272 /nfs/dbraw/zinc/01/82/72/806018272.db2.gz VDNNTHDDPKNJQY-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080936365 806018283 /nfs/dbraw/zinc/01/82/83/806018283.db2.gz VDNNTHDDPKNJQY-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080936365 806018290 /nfs/dbraw/zinc/01/82/90/806018290.db2.gz VDNNTHDDPKNJQY-JHJVBQTASA-N 2 1 269.389 -0.243 20 0 CBADMP O=C(NCC[NH2+]Cc1cnns1)C12CC[NH+](CC1)C2 ZINC001147977151 814928265 /nfs/dbraw/zinc/92/82/65/814928265.db2.gz LDYQGDPQSDARIH-UHFFFAOYSA-N 2 1 281.385 -0.160 20 0 CBADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081673114 806113446 /nfs/dbraw/zinc/11/34/46/806113446.db2.gz XZEVRVPIDQDRKZ-BFHYXJOUSA-N 2 1 297.399 -0.864 20 0 CBADMP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949418 806134825 /nfs/dbraw/zinc/13/48/25/806134825.db2.gz OAFDGOQGRYHPGS-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949418 806134831 /nfs/dbraw/zinc/13/48/31/806134831.db2.gz OAFDGOQGRYHPGS-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP CO[C@@H]1CN(CCO)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001082133664 806147549 /nfs/dbraw/zinc/14/75/49/806147549.db2.gz LLKIPODHZYKHKQ-YNEHKIRRSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370185 806169272 /nfs/dbraw/zinc/16/92/72/806169272.db2.gz WHDIPAZCLBHGCR-BFHYXJOUSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370185 806169277 /nfs/dbraw/zinc/16/92/77/806169277.db2.gz WHDIPAZCLBHGCR-BFHYXJOUSA-N 2 1 299.415 -0.068 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001082377488 806169401 /nfs/dbraw/zinc/16/94/01/806169401.db2.gz RTSNRFQOZKPFBQ-UPJWGTAASA-N 2 1 285.388 -0.458 20 0 CBADMP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001082377488 806169406 /nfs/dbraw/zinc/16/94/06/806169406.db2.gz RTSNRFQOZKPFBQ-UPJWGTAASA-N 2 1 285.388 -0.458 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](OC)C1 ZINC001082377488 806169413 /nfs/dbraw/zinc/16/94/13/806169413.db2.gz RTSNRFQOZKPFBQ-UPJWGTAASA-N 2 1 285.388 -0.458 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](OC)C1 ZINC001082377488 806169416 /nfs/dbraw/zinc/16/94/16/806169416.db2.gz RTSNRFQOZKPFBQ-UPJWGTAASA-N 2 1 285.388 -0.458 20 0 CBADMP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370186 806171208 /nfs/dbraw/zinc/17/12/08/806171208.db2.gz WHDIPAZCLBHGCR-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370186 806171213 /nfs/dbraw/zinc/17/12/13/806171213.db2.gz WHDIPAZCLBHGCR-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082448503 806178693 /nfs/dbraw/zinc/17/86/93/806178693.db2.gz SWNAXCZHNVLHDB-MXWKQRLJSA-N 2 1 268.361 -0.998 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCO ZINC001082449921 806178781 /nfs/dbraw/zinc/17/87/81/806178781.db2.gz OTNLYQLBJLPWMX-UTUOFQBUSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082519991 806185009 /nfs/dbraw/zinc/18/50/09/806185009.db2.gz SQPRAODLLBJSMJ-DDHJBXDOSA-N 2 1 282.388 -0.752 20 0 CBADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CCO ZINC001082740823 806193902 /nfs/dbraw/zinc/19/39/02/806193902.db2.gz HKAGZHFJXBDBGF-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001082807528 806195016 /nfs/dbraw/zinc/19/50/16/806195016.db2.gz NHIDSVUWNGNWOW-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001082922232 806198936 /nfs/dbraw/zinc/19/89/36/806198936.db2.gz QRKCXBIWPYMXGB-CKYFFXLPSA-N 2 1 293.371 -0.498 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCO)C[C@@H]32)C1 ZINC001083275019 806245269 /nfs/dbraw/zinc/24/52/69/806245269.db2.gz LMVQWHXCSSUGSB-MELADBBJSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)C1 ZINC001083275019 806245273 /nfs/dbraw/zinc/24/52/73/806245273.db2.gz LMVQWHXCSSUGSB-MELADBBJSA-N 2 1 297.399 -0.768 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)C1 ZINC001083275019 806245276 /nfs/dbraw/zinc/24/52/76/806245276.db2.gz LMVQWHXCSSUGSB-MELADBBJSA-N 2 1 297.399 -0.768 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466153 806334845 /nfs/dbraw/zinc/33/48/45/806334845.db2.gz IHPDKUGLHVIEOJ-MJBXVCDLSA-N 2 1 281.400 -0.101 20 0 CBADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1O ZINC001083506076 806347494 /nfs/dbraw/zinc/34/74/94/806347494.db2.gz OVLOEEJNYYYIQZ-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1O ZINC001083506076 806347501 /nfs/dbraw/zinc/34/75/01/806347501.db2.gz OVLOEEJNYYYIQZ-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O ZINC001083506076 806347508 /nfs/dbraw/zinc/34/75/08/806347508.db2.gz OVLOEEJNYYYIQZ-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001083506076 806347515 /nfs/dbraw/zinc/34/75/15/806347515.db2.gz OVLOEEJNYYYIQZ-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083505820 806347685 /nfs/dbraw/zinc/34/76/85/806347685.db2.gz DLFUTCGHDJROGT-MCIONIFRSA-N 2 1 299.415 -0.596 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083505820 806347693 /nfs/dbraw/zinc/34/76/93/806347693.db2.gz DLFUTCGHDJROGT-MCIONIFRSA-N 2 1 299.415 -0.596 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083505820 806347704 /nfs/dbraw/zinc/34/77/04/806347704.db2.gz DLFUTCGHDJROGT-MCIONIFRSA-N 2 1 299.415 -0.596 20 0 CBADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083506039 806349516 /nfs/dbraw/zinc/34/95/16/806349516.db2.gz NKFGKOPQCXPNQJ-UPJWGTAASA-N 2 1 285.388 -0.986 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083506039 806349524 /nfs/dbraw/zinc/34/95/24/806349524.db2.gz NKFGKOPQCXPNQJ-UPJWGTAASA-N 2 1 285.388 -0.986 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083506039 806349535 /nfs/dbraw/zinc/34/95/35/806349535.db2.gz NKFGKOPQCXPNQJ-UPJWGTAASA-N 2 1 285.388 -0.986 20 0 CBADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083506039 806349543 /nfs/dbraw/zinc/34/95/43/806349543.db2.gz NKFGKOPQCXPNQJ-UPJWGTAASA-N 2 1 285.388 -0.986 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083726910 806416546 /nfs/dbraw/zinc/41/65/46/806416546.db2.gz AAAKLUHFXWYTLD-FQUUOJAGSA-N 2 1 299.415 -0.476 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083726910 806416548 /nfs/dbraw/zinc/41/65/48/806416548.db2.gz AAAKLUHFXWYTLD-FQUUOJAGSA-N 2 1 299.415 -0.476 20 0 CBADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083726910 806416551 /nfs/dbraw/zinc/41/65/51/806416551.db2.gz AAAKLUHFXWYTLD-FQUUOJAGSA-N 2 1 299.415 -0.476 20 0 CBADMP CC(C)[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723260 806414098 /nfs/dbraw/zinc/41/40/98/806414098.db2.gz BDFGFASWHCTDMM-HZSPNIEDSA-N 2 1 299.415 -0.335 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723260 806414100 /nfs/dbraw/zinc/41/41/00/806414100.db2.gz BDFGFASWHCTDMM-HZSPNIEDSA-N 2 1 299.415 -0.335 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723260 806414104 /nfs/dbraw/zinc/41/41/04/806414104.db2.gz BDFGFASWHCTDMM-HZSPNIEDSA-N 2 1 299.415 -0.335 20 0 CBADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723260 806414108 /nfs/dbraw/zinc/41/41/08/806414108.db2.gz BDFGFASWHCTDMM-HZSPNIEDSA-N 2 1 299.415 -0.335 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083728163 806417552 /nfs/dbraw/zinc/41/75/52/806417552.db2.gz IXYMGYQWOAIDLJ-RVMXOQNASA-N 2 1 269.389 -0.102 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083728163 806417557 /nfs/dbraw/zinc/41/75/57/806417557.db2.gz IXYMGYQWOAIDLJ-RVMXOQNASA-N 2 1 269.389 -0.102 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083728163 806417560 /nfs/dbraw/zinc/41/75/60/806417560.db2.gz IXYMGYQWOAIDLJ-RVMXOQNASA-N 2 1 269.389 -0.102 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781465 806430847 /nfs/dbraw/zinc/43/08/47/806430847.db2.gz IQHVROLUYNUENO-UTUOFQBUSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781465 806430852 /nfs/dbraw/zinc/43/08/52/806430852.db2.gz IQHVROLUYNUENO-UTUOFQBUSA-N 2 1 255.362 -0.491 20 0 CBADMP CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781465 806430855 /nfs/dbraw/zinc/43/08/55/806430855.db2.gz IQHVROLUYNUENO-UTUOFQBUSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O ZINC001083778277 806432025 /nfs/dbraw/zinc/43/20/25/806432025.db2.gz HIOARCNKMKHRGV-XQQFMLRXSA-N 2 1 287.379 -0.008 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083778277 806432029 /nfs/dbraw/zinc/43/20/29/806432029.db2.gz HIOARCNKMKHRGV-XQQFMLRXSA-N 2 1 287.379 -0.008 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001083778277 806432035 /nfs/dbraw/zinc/43/20/35/806432035.db2.gz HIOARCNKMKHRGV-XQQFMLRXSA-N 2 1 287.379 -0.008 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833455 806442367 /nfs/dbraw/zinc/44/23/67/806442367.db2.gz BUFGANWZWOFFNZ-BNOWGMLFSA-N 2 1 299.415 -0.740 20 0 CBADMP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959058 806470632 /nfs/dbraw/zinc/47/06/32/806470632.db2.gz CPDJPPICVSDLAS-UPJWGTAASA-N 2 1 299.390 -0.008 20 0 CBADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056699 806481707 /nfs/dbraw/zinc/48/17/07/806481707.db2.gz KHRULUZXFJQEPY-XQQFMLRXSA-N 2 1 269.389 -0.245 20 0 CBADMP CC(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084056699 806481712 /nfs/dbraw/zinc/48/17/12/806481712.db2.gz KHRULUZXFJQEPY-XQQFMLRXSA-N 2 1 269.389 -0.245 20 0 CBADMP CC(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084056699 806481717 /nfs/dbraw/zinc/48/17/17/806481717.db2.gz KHRULUZXFJQEPY-XQQFMLRXSA-N 2 1 269.389 -0.245 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058400 806484239 /nfs/dbraw/zinc/48/42/39/806484239.db2.gz ZBYHZFJJWYLOOB-XQQFMLRXSA-N 2 1 285.388 -0.722 20 0 CBADMP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058400 806484241 /nfs/dbraw/zinc/48/42/41/806484241.db2.gz ZBYHZFJJWYLOOB-XQQFMLRXSA-N 2 1 285.388 -0.722 20 0 CBADMP CC(C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058132 806485098 /nfs/dbraw/zinc/48/50/98/806485098.db2.gz LVOZYNXBICLOLY-NEPJUHHUSA-N 2 1 255.362 -0.348 20 0 CBADMP CC(C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058132 806485102 /nfs/dbraw/zinc/48/51/02/806485102.db2.gz LVOZYNXBICLOLY-NEPJUHHUSA-N 2 1 255.362 -0.348 20 0 CBADMP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078838 806487302 /nfs/dbraw/zinc/48/73/02/806487302.db2.gz KKJNPKFLTZUKKO-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078838 806487304 /nfs/dbraw/zinc/48/73/04/806487304.db2.gz KKJNPKFLTZUKKO-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078838 806487306 /nfs/dbraw/zinc/48/73/06/806487306.db2.gz KKJNPKFLTZUKKO-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078838 806487309 /nfs/dbraw/zinc/48/73/09/806487309.db2.gz KKJNPKFLTZUKKO-FRRDWIJNSA-N 2 1 285.388 -0.722 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084831483 806538592 /nfs/dbraw/zinc/53/85/92/806538592.db2.gz NADYOZRVPNUGKM-JHJVBQTASA-N 2 1 267.373 -0.537 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CCCO)C[C@H]32)C1 ZINC001084831389 806538319 /nfs/dbraw/zinc/53/83/19/806538319.db2.gz JPRODHKNQKUYPO-HZSPNIEDSA-N 2 1 281.400 -0.147 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084831482 806539300 /nfs/dbraw/zinc/53/93/00/806539300.db2.gz NADYOZRVPNUGKM-FRRDWIJNSA-N 2 1 267.373 -0.537 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCO)C1 ZINC001085429371 806556006 /nfs/dbraw/zinc/55/60/06/806556006.db2.gz PJLZNCMXWKLTSK-MGPQQGTHSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCO)C1 ZINC001085429371 806556009 /nfs/dbraw/zinc/55/60/09/806556009.db2.gz PJLZNCMXWKLTSK-MGPQQGTHSA-N 2 1 299.415 -0.284 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC001023086514 798880173 /nfs/dbraw/zinc/88/01/73/798880173.db2.gz ODCIVCRUWXNDFJ-GARJFASQSA-N 2 1 279.344 -0.242 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC001023086514 798880178 /nfs/dbraw/zinc/88/01/78/798880178.db2.gz ODCIVCRUWXNDFJ-GARJFASQSA-N 2 1 279.344 -0.242 20 0 CBADMP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001023083848 798880434 /nfs/dbraw/zinc/88/04/34/798880434.db2.gz BLIVNTZFCLPURV-UTUOFQBUSA-N 2 1 292.387 -0.496 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001023273149 798895770 /nfs/dbraw/zinc/89/57/70/798895770.db2.gz JSDAQGGZSANTSP-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001023273149 798895773 /nfs/dbraw/zinc/89/57/73/798895773.db2.gz JSDAQGGZSANTSP-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023273149 798895780 /nfs/dbraw/zinc/89/57/80/798895780.db2.gz JSDAQGGZSANTSP-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001023273507 798898383 /nfs/dbraw/zinc/89/83/83/798898383.db2.gz NGXIYPWMBVMBTR-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001023273507 798898384 /nfs/dbraw/zinc/89/83/84/798898384.db2.gz NGXIYPWMBVMBTR-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001023273507 798898388 /nfs/dbraw/zinc/89/83/88/798898388.db2.gz NGXIYPWMBVMBTR-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001023273507 798898391 /nfs/dbraw/zinc/89/83/91/798898391.db2.gz NGXIYPWMBVMBTR-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](CCO)C2)O1 ZINC001023451547 798906716 /nfs/dbraw/zinc/90/67/16/798906716.db2.gz PYJUGKBOBCJWJK-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](CCO)C2)O1 ZINC001023451547 798906720 /nfs/dbraw/zinc/90/67/20/798906720.db2.gz PYJUGKBOBCJWJK-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+](CCO)C2)O1 ZINC001023451547 798906723 /nfs/dbraw/zinc/90/67/23/798906723.db2.gz PYJUGKBOBCJWJK-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCO)C2)O1 ZINC001023451547 798906724 /nfs/dbraw/zinc/90/67/24/798906724.db2.gz PYJUGKBOBCJWJK-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP O=C(NC[C@H]1CCC[N@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001023703165 798919669 /nfs/dbraw/zinc/91/96/69/798919669.db2.gz BSQHEUQWRRXIOC-CYBMUJFWSA-N 2 1 281.400 -0.097 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001023747008 798920202 /nfs/dbraw/zinc/92/02/02/798920202.db2.gz XZESKNYMUJNFHP-NEPJUHHUSA-N 2 1 282.388 -0.748 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001023747008 798920208 /nfs/dbraw/zinc/92/02/08/798920208.db2.gz XZESKNYMUJNFHP-NEPJUHHUSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001023747008 798920212 /nfs/dbraw/zinc/92/02/12/798920212.db2.gz XZESKNYMUJNFHP-NEPJUHHUSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001023747008 798920217 /nfs/dbraw/zinc/92/02/17/798920217.db2.gz XZESKNYMUJNFHP-NEPJUHHUSA-N 2 1 282.388 -0.748 20 0 CBADMP COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719833 798970951 /nfs/dbraw/zinc/97/09/51/798970951.db2.gz ITIJORLWPXKUEO-PDWCTOEPSA-N 2 1 297.399 -0.602 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719833 798970955 /nfs/dbraw/zinc/97/09/55/798970955.db2.gz ITIJORLWPXKUEO-PDWCTOEPSA-N 2 1 297.399 -0.602 20 0 CBADMP COC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001025719833 798970958 /nfs/dbraw/zinc/97/09/58/798970958.db2.gz ITIJORLWPXKUEO-PDWCTOEPSA-N 2 1 297.399 -0.602 20 0 CBADMP COC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001025719833 798970962 /nfs/dbraw/zinc/97/09/62/798970962.db2.gz ITIJORLWPXKUEO-PDWCTOEPSA-N 2 1 297.399 -0.602 20 0 CBADMP 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 798987735 /nfs/dbraw/zinc/98/77/35/798987735.db2.gz JNJAGHGFSXUPCX-KVSVUVNWSA-N 2 1 267.373 -0.777 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001026045789 798987739 /nfs/dbraw/zinc/98/77/39/798987739.db2.gz JNJAGHGFSXUPCX-KVSVUVNWSA-N 2 1 267.373 -0.777 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001026045789 798987742 /nfs/dbraw/zinc/98/77/42/798987742.db2.gz JNJAGHGFSXUPCX-KVSVUVNWSA-N 2 1 267.373 -0.777 20 0 CBADMP 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 798988024 /nfs/dbraw/zinc/98/80/24/798988024.db2.gz FXQFLAHNZDWFFF-JYKNGBAOSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001026043504 798988027 /nfs/dbraw/zinc/98/80/27/798988027.db2.gz FXQFLAHNZDWFFF-JYKNGBAOSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001026043504 798988031 /nfs/dbraw/zinc/98/80/31/798988031.db2.gz FXQFLAHNZDWFFF-JYKNGBAOSA-N 2 1 281.400 -0.245 20 0 CBADMP 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 798991628 /nfs/dbraw/zinc/99/16/28/798991628.db2.gz GEQXNRFIRTXHFY-JYKNGBAOSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001026140330 798991633 /nfs/dbraw/zinc/99/16/33/798991633.db2.gz GEQXNRFIRTXHFY-JYKNGBAOSA-N 2 1 281.400 -0.245 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001026140330 798991636 /nfs/dbraw/zinc/99/16/36/798991636.db2.gz GEQXNRFIRTXHFY-JYKNGBAOSA-N 2 1 281.400 -0.245 20 0 CBADMP C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027346481 799042457 /nfs/dbraw/zinc/04/24/57/799042457.db2.gz IDKLPFHXAOVGTB-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027346481 799042462 /nfs/dbraw/zinc/04/24/62/799042462.db2.gz IDKLPFHXAOVGTB-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001027346481 799042469 /nfs/dbraw/zinc/04/24/69/799042469.db2.gz IDKLPFHXAOVGTB-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP C[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001027346481 799042475 /nfs/dbraw/zinc/04/24/75/799042475.db2.gz IDKLPFHXAOVGTB-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001027453048 799047914 /nfs/dbraw/zinc/04/79/14/799047914.db2.gz YLFCMJZIFIYVLL-OCCSQVGLSA-N 2 1 298.431 -0.019 20 0 CBADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001027453048 799047923 /nfs/dbraw/zinc/04/79/23/799047923.db2.gz YLFCMJZIFIYVLL-OCCSQVGLSA-N 2 1 298.431 -0.019 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001027461772 799050099 /nfs/dbraw/zinc/05/00/99/799050099.db2.gz PEECSKWWJMBECQ-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001027461772 799050105 /nfs/dbraw/zinc/05/01/05/799050105.db2.gz PEECSKWWJMBECQ-VXGBXAGGSA-N 2 1 284.404 -0.265 20 0 CBADMP C[N@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001027615534 799060840 /nfs/dbraw/zinc/06/08/40/799060840.db2.gz UYGSHXNDFDTKMI-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001027615534 799060844 /nfs/dbraw/zinc/06/08/44/799060844.db2.gz UYGSHXNDFDTKMI-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680922 799064000 /nfs/dbraw/zinc/06/40/00/799064000.db2.gz LZRSJKAPGUBVPB-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027680922 799064003 /nfs/dbraw/zinc/06/40/03/799064003.db2.gz LZRSJKAPGUBVPB-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027680922 799064008 /nfs/dbraw/zinc/06/40/08/799064008.db2.gz LZRSJKAPGUBVPB-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680779 799065362 /nfs/dbraw/zinc/06/53/62/799065362.db2.gz JIAQLHQOOFUSRS-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680779 799065367 /nfs/dbraw/zinc/06/53/67/799065367.db2.gz JIAQLHQOOFUSRS-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027680779 799065371 /nfs/dbraw/zinc/06/53/71/799065371.db2.gz JIAQLHQOOFUSRS-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027680779 799065377 /nfs/dbraw/zinc/06/53/77/799065377.db2.gz JIAQLHQOOFUSRS-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH+](C)CCO)C2)C1 ZINC001027687136 799065531 /nfs/dbraw/zinc/06/55/31/799065531.db2.gz HYDUHQKQCKWIDP-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH+](C)CCO)C2)C1 ZINC001027687136 799065536 /nfs/dbraw/zinc/06/55/36/799065536.db2.gz HYDUHQKQCKWIDP-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@H]([N@H+](C)CCO)C2)C1 ZINC001027687136 799065541 /nfs/dbraw/zinc/06/55/41/799065541.db2.gz HYDUHQKQCKWIDP-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CCO)C2)C1 ZINC001027687136 799065545 /nfs/dbraw/zinc/06/55/45/799065545.db2.gz HYDUHQKQCKWIDP-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCO)CC[N@H+]1C ZINC001027893786 799092391 /nfs/dbraw/zinc/09/23/91/799092391.db2.gz GEDDNTWIDDMQHT-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCO)CC[NH+]1C ZINC001027893786 799092398 /nfs/dbraw/zinc/09/23/98/799092398.db2.gz GEDDNTWIDDMQHT-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCO)CC[NH+]1C ZINC001027893786 799092403 /nfs/dbraw/zinc/09/24/03/799092403.db2.gz GEDDNTWIDDMQHT-FRRDWIJNSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CCO)O1 ZINC001027965377 799098917 /nfs/dbraw/zinc/09/89/17/799098917.db2.gz AIZPTJXWQPBXSP-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CCO)O1 ZINC001027965377 799098924 /nfs/dbraw/zinc/09/89/24/799098924.db2.gz AIZPTJXWQPBXSP-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCO)O1 ZINC001027965377 799098931 /nfs/dbraw/zinc/09/89/31/799098931.db2.gz AIZPTJXWQPBXSP-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCO)O1 ZINC001027965377 799098937 /nfs/dbraw/zinc/09/89/37/799098937.db2.gz AIZPTJXWQPBXSP-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001028446447 799137713 /nfs/dbraw/zinc/13/77/13/799137713.db2.gz GIGBNCPNXLLECO-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001028446447 799137717 /nfs/dbraw/zinc/13/77/17/799137717.db2.gz GIGBNCPNXLLECO-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028446447 799137720 /nfs/dbraw/zinc/13/77/20/799137720.db2.gz GIGBNCPNXLLECO-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447097 799138303 /nfs/dbraw/zinc/13/83/03/799138303.db2.gz LUZANUXQKWEVOE-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001028447097 799138308 /nfs/dbraw/zinc/13/83/08/799138308.db2.gz LUZANUXQKWEVOE-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001028447097 799138312 /nfs/dbraw/zinc/13/83/12/799138312.db2.gz LUZANUXQKWEVOE-RYUDHWBXSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001028446445 799138765 /nfs/dbraw/zinc/13/87/65/799138765.db2.gz GIGBNCPNXLLECO-GHMZBOCLSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001028446445 799138771 /nfs/dbraw/zinc/13/87/71/799138771.db2.gz GIGBNCPNXLLECO-GHMZBOCLSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028446445 799138775 /nfs/dbraw/zinc/13/87/75/799138775.db2.gz GIGBNCPNXLLECO-GHMZBOCLSA-N 2 1 268.361 -0.996 20 0 CBADMP COCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461190 799140447 /nfs/dbraw/zinc/14/04/47/799140447.db2.gz LYJDPIHNGSWCCT-STQMWFEESA-N 2 1 285.388 -0.599 20 0 CBADMP COCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461190 799140450 /nfs/dbraw/zinc/14/04/50/799140450.db2.gz LYJDPIHNGSWCCT-STQMWFEESA-N 2 1 285.388 -0.599 20 0 CBADMP COCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028461190 799140455 /nfs/dbraw/zinc/14/04/55/799140455.db2.gz LYJDPIHNGSWCCT-STQMWFEESA-N 2 1 285.388 -0.599 20 0 CBADMP COCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028461190 799140460 /nfs/dbraw/zinc/14/04/60/799140460.db2.gz LYJDPIHNGSWCCT-STQMWFEESA-N 2 1 285.388 -0.599 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001028539382 799150597 /nfs/dbraw/zinc/15/05/97/799150597.db2.gz VNHZLXLPNRLBSC-GXTWGEPZSA-N 2 1 281.400 -0.241 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCO)C1 ZINC001028637530 799156122 /nfs/dbraw/zinc/15/61/22/799156122.db2.gz XTXPOSDBPYMIFF-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001028637530 799156125 /nfs/dbraw/zinc/15/61/25/799156125.db2.gz XTXPOSDBPYMIFF-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001028637530 799156129 /nfs/dbraw/zinc/15/61/29/799156129.db2.gz XTXPOSDBPYMIFF-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028776852 799169935 /nfs/dbraw/zinc/16/99/35/799169935.db2.gz VSVYAMPDABZLFT-LBPRGKRZSA-N 2 1 296.415 -0.488 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001029004195 799186143 /nfs/dbraw/zinc/18/61/43/799186143.db2.gz UTGRDBIPKMZQBV-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001029004195 799186146 /nfs/dbraw/zinc/18/61/46/799186146.db2.gz UTGRDBIPKMZQBV-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001029004195 799186149 /nfs/dbraw/zinc/18/61/49/799186149.db2.gz UTGRDBIPKMZQBV-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO)C1CC1 ZINC001029338075 799195576 /nfs/dbraw/zinc/19/55/76/799195576.db2.gz RKHJASZLINLAIG-MJBXVCDLSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)C1CC1 ZINC001029338075 799195577 /nfs/dbraw/zinc/19/55/77/799195577.db2.gz RKHJASZLINLAIG-MJBXVCDLSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031585194 799513580 /nfs/dbraw/zinc/51/35/80/799513580.db2.gz RTXOZECDOACLPH-PWSUYJOCSA-N 2 1 255.362 -0.491 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001031585297 799514063 /nfs/dbraw/zinc/51/40/63/799514063.db2.gz VRDLWFMRRHUZLV-QWHCGFSZSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001031585297 799514068 /nfs/dbraw/zinc/51/40/68/799514068.db2.gz VRDLWFMRRHUZLV-QWHCGFSZSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCn2cncn2)C1 ZINC001031585034 799514138 /nfs/dbraw/zinc/51/41/38/799514138.db2.gz OJVWLHLAHDMWFW-ZDUSSCGKSA-N 2 1 292.387 -0.580 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031585556 799514177 /nfs/dbraw/zinc/51/41/77/799514177.db2.gz ZHKMQUGPLOJYQZ-WCQYABFASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031585556 799514180 /nfs/dbraw/zinc/51/41/80/799514180.db2.gz ZHKMQUGPLOJYQZ-WCQYABFASA-N 2 1 296.415 -0.395 20 0 CBADMP CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001031585535 799514256 /nfs/dbraw/zinc/51/42/56/799514256.db2.gz YURHJVXXBUKVBA-CHWSQXEVSA-N 2 1 294.399 -0.641 20 0 CBADMP CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001031585535 799514260 /nfs/dbraw/zinc/51/42/60/799514260.db2.gz YURHJVXXBUKVBA-CHWSQXEVSA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001031596849 799516451 /nfs/dbraw/zinc/51/64/51/799516451.db2.gz QKQXVPNUOUIYBI-OCCSQVGLSA-N 2 1 297.399 -0.599 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001031596849 799516456 /nfs/dbraw/zinc/51/64/56/799516456.db2.gz QKQXVPNUOUIYBI-OCCSQVGLSA-N 2 1 297.399 -0.599 20 0 CBADMP CO[C@@H](C)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031596875 799517490 /nfs/dbraw/zinc/51/74/90/799517490.db2.gz RFFOKXBNPQAAFZ-AAEUAGOBSA-N 2 1 285.388 -0.600 20 0 CBADMP CO[C@@H](C)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031596875 799517495 /nfs/dbraw/zinc/51/74/95/799517495.db2.gz RFFOKXBNPQAAFZ-AAEUAGOBSA-N 2 1 285.388 -0.600 20 0 CBADMP C[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031776315 799542081 /nfs/dbraw/zinc/54/20/81/799542081.db2.gz IBIFDRPQQJTAOS-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@H](C)O)C2)C1 ZINC001031921522 799562235 /nfs/dbraw/zinc/56/22/35/799562235.db2.gz RWAVCAKUTCWMCO-GXTWGEPZSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031977080 799568037 /nfs/dbraw/zinc/56/80/37/799568037.db2.gz WDJASBVIALNGIQ-JQWIXIFHSA-N 2 1 255.362 -0.776 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031977082 799568681 /nfs/dbraw/zinc/56/86/81/799568681.db2.gz WDJASBVIALNGIQ-ZYHUDNBSSA-N 2 1 255.362 -0.776 20 0 CBADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1C[NH+](CCO)C1)C2 ZINC001031977707 799568704 /nfs/dbraw/zinc/56/87/04/799568704.db2.gz HCXCGDLHNCKYKP-CYBMUJFWSA-N 2 1 292.383 -0.206 20 0 CBADMP Cn1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001032182725 799590912 /nfs/dbraw/zinc/59/09/12/799590912.db2.gz QHQDUJSLNUBRPA-CQSZACIVSA-N 2 1 291.399 -0.080 20 0 CBADMP Cn1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001032182725 799590914 /nfs/dbraw/zinc/59/09/14/799590914.db2.gz QHQDUJSLNUBRPA-CQSZACIVSA-N 2 1 291.399 -0.080 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186928 799592157 /nfs/dbraw/zinc/59/21/57/799592157.db2.gz ZLTAHUVHHJKPPS-NEPJUHHUSA-N 2 1 282.388 -0.750 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186928 799592160 /nfs/dbraw/zinc/59/21/60/799592160.db2.gz ZLTAHUVHHJKPPS-NEPJUHHUSA-N 2 1 282.388 -0.750 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@@H](C)OC)C2)C1 ZINC001032199783 799593424 /nfs/dbraw/zinc/59/34/24/799593424.db2.gz AABJICQFHXKTKF-OCCSQVGLSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@@H](C)OC)C2)C1 ZINC001032199783 799593429 /nfs/dbraw/zinc/59/34/29/799593429.db2.gz AABJICQFHXKTKF-OCCSQVGLSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@H](C)OC)C2)C1 ZINC001032199780 799593783 /nfs/dbraw/zinc/59/37/83/799593783.db2.gz AABJICQFHXKTKF-GXTWGEPZSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@H](C)OC)C2)C1 ZINC001032199780 799593787 /nfs/dbraw/zinc/59/37/87/799593787.db2.gz AABJICQFHXKTKF-GXTWGEPZSA-N 2 1 299.415 -0.210 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO ZINC001032315182 799610393 /nfs/dbraw/zinc/61/03/93/799610393.db2.gz DQNMGPQTIJSIMS-SDDRHHMPSA-N 2 1 253.346 -0.642 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO ZINC001032315182 799610397 /nfs/dbraw/zinc/61/03/97/799610397.db2.gz DQNMGPQTIJSIMS-SDDRHHMPSA-N 2 1 253.346 -0.642 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032315182 799610399 /nfs/dbraw/zinc/61/03/99/799610399.db2.gz DQNMGPQTIJSIMS-SDDRHHMPSA-N 2 1 253.346 -0.642 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032315182 799610402 /nfs/dbraw/zinc/61/04/02/799610402.db2.gz DQNMGPQTIJSIMS-SDDRHHMPSA-N 2 1 253.346 -0.642 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO)C1CC1 ZINC001032445427 799629785 /nfs/dbraw/zinc/62/97/85/799629785.db2.gz FXPNHMHWVSDXKW-MELADBBJSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO)C1CC1 ZINC001032445427 799629787 /nfs/dbraw/zinc/62/97/87/799629787.db2.gz FXPNHMHWVSDXKW-MELADBBJSA-N 2 1 281.400 -0.006 20 0 CBADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](C)O)[NH+](C)C ZINC001032474648 799633540 /nfs/dbraw/zinc/63/35/40/799633540.db2.gz GTZCHYATENYBRW-MROQNXINSA-N 2 1 269.389 -0.008 20 0 CBADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](C)O)[NH+](C)C ZINC001032474648 799633544 /nfs/dbraw/zinc/63/35/44/799633544.db2.gz GTZCHYATENYBRW-MROQNXINSA-N 2 1 269.389 -0.008 20 0 CBADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCO)C12CCC[NH+]1CCC2 ZINC001032498294 799635439 /nfs/dbraw/zinc/63/54/39/799635439.db2.gz NHXSJCDBQVGVNI-STQMWFEESA-N 2 1 279.384 -0.108 20 0 CBADMP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CCO)C12CCC[NH+]1CCC2 ZINC001032498294 799635442 /nfs/dbraw/zinc/63/54/42/799635442.db2.gz NHXSJCDBQVGVNI-STQMWFEESA-N 2 1 279.384 -0.108 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032603078 799647507 /nfs/dbraw/zinc/64/75/07/799647507.db2.gz NWDLQPUOAARJGF-XBFCOCLRSA-N 2 1 281.400 -0.006 20 0 CBADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO)[NH+](C)C ZINC001032633294 799651539 /nfs/dbraw/zinc/65/15/39/799651539.db2.gz JYDYODPCYHCDBT-SRVKXCTJSA-N 2 1 255.362 -0.396 20 0 CBADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO)[NH+](C)C ZINC001032633294 799651540 /nfs/dbraw/zinc/65/15/40/799651540.db2.gz JYDYODPCYHCDBT-SRVKXCTJSA-N 2 1 255.362 -0.396 20 0 CBADMP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032780732 799668475 /nfs/dbraw/zinc/66/84/75/799668475.db2.gz BZRJYGVFLMLDNE-AVGNSLFASA-N 2 1 267.373 -0.130 20 0 CBADMP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032780732 799668476 /nfs/dbraw/zinc/66/84/76/799668476.db2.gz BZRJYGVFLMLDNE-AVGNSLFASA-N 2 1 267.373 -0.130 20 0 CBADMP COCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001032780732 799668479 /nfs/dbraw/zinc/66/84/79/799668479.db2.gz BZRJYGVFLMLDNE-AVGNSLFASA-N 2 1 267.373 -0.130 20 0 CBADMP COCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032780732 799668480 /nfs/dbraw/zinc/66/84/80/799668480.db2.gz BZRJYGVFLMLDNE-AVGNSLFASA-N 2 1 267.373 -0.130 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032830177 799673629 /nfs/dbraw/zinc/67/36/29/799673629.db2.gz UNNBABOICQRBAA-CYDGBPFRSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032830177 799673630 /nfs/dbraw/zinc/67/36/30/799673630.db2.gz UNNBABOICQRBAA-CYDGBPFRSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001032830177 799673633 /nfs/dbraw/zinc/67/36/33/799673633.db2.gz UNNBABOICQRBAA-CYDGBPFRSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001032830177 799673634 /nfs/dbraw/zinc/67/36/34/799673634.db2.gz UNNBABOICQRBAA-CYDGBPFRSA-N 2 1 296.415 -0.219 20 0 CBADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001032958882 799697259 /nfs/dbraw/zinc/69/72/59/799697259.db2.gz BWRBKBOFULOVPP-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCCO)C1 ZINC001032958882 799697262 /nfs/dbraw/zinc/69/72/62/799697262.db2.gz BWRBKBOFULOVPP-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCCO)C1 ZINC001032958882 799697265 /nfs/dbraw/zinc/69/72/65/799697265.db2.gz BWRBKBOFULOVPP-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCCO)C2)O1 ZINC001033185282 799724026 /nfs/dbraw/zinc/72/40/26/799724026.db2.gz MYKHJTKHTRPMNQ-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCCO)C2)O1 ZINC001033185282 799724028 /nfs/dbraw/zinc/72/40/28/799724028.db2.gz MYKHJTKHTRPMNQ-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCCO)C2)O1 ZINC001033185282 799724030 /nfs/dbraw/zinc/72/40/30/799724030.db2.gz MYKHJTKHTRPMNQ-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCCO)C2)O1 ZINC001033185282 799724032 /nfs/dbraw/zinc/72/40/32/799724032.db2.gz MYKHJTKHTRPMNQ-MGPQQGTHSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCO)C2)C1 ZINC001033357530 799743001 /nfs/dbraw/zinc/74/30/01/799743001.db2.gz HWNRUQSPDOWUIW-UONOGXRCSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCO)C2)C1 ZINC001033357530 799743005 /nfs/dbraw/zinc/74/30/05/799743005.db2.gz HWNRUQSPDOWUIW-UONOGXRCSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCO)C2)C1 ZINC001033357530 799743008 /nfs/dbraw/zinc/74/30/08/799743008.db2.gz HWNRUQSPDOWUIW-UONOGXRCSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001033357530 799743011 /nfs/dbraw/zinc/74/30/11/799743011.db2.gz HWNRUQSPDOWUIW-UONOGXRCSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCO)C2)C1 ZINC001033357531 799743210 /nfs/dbraw/zinc/74/32/10/799743210.db2.gz HWNRUQSPDOWUIW-ZIAGYGMSSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCO)C2)C1 ZINC001033357531 799743215 /nfs/dbraw/zinc/74/32/15/799743215.db2.gz HWNRUQSPDOWUIW-ZIAGYGMSSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001033357531 799743221 /nfs/dbraw/zinc/74/32/21/799743221.db2.gz HWNRUQSPDOWUIW-ZIAGYGMSSA-N 2 1 299.415 -0.379 20 0 CBADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001033357531 799743223 /nfs/dbraw/zinc/74/32/23/799743223.db2.gz HWNRUQSPDOWUIW-ZIAGYGMSSA-N 2 1 299.415 -0.379 20 0 CBADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033398157 799749216 /nfs/dbraw/zinc/74/92/16/799749216.db2.gz WCNUMPOKZNMMLF-CYBMUJFWSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391191 799749709 /nfs/dbraw/zinc/74/97/09/799749709.db2.gz OIKFASSCVTUYEA-DGCLKSJQSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391191 799749720 /nfs/dbraw/zinc/74/97/20/799749720.db2.gz OIKFASSCVTUYEA-DGCLKSJQSA-N 2 1 296.415 -0.265 20 0 CBADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033592823 799768723 /nfs/dbraw/zinc/76/87/23/799768723.db2.gz IABMNYGNICVLLJ-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033663179 799778835 /nfs/dbraw/zinc/77/88/35/799778835.db2.gz UNGUNFMIBJSGNH-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCO)C1 ZINC001033663179 799778840 /nfs/dbraw/zinc/77/88/40/799778840.db2.gz UNGUNFMIBJSGNH-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCO)C1 ZINC001033663179 799778842 /nfs/dbraw/zinc/77/88/42/799778842.db2.gz UNGUNFMIBJSGNH-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCO)C2)C1 ZINC001033673262 799780109 /nfs/dbraw/zinc/78/01/09/799780109.db2.gz WRLQXBPFTWKEBG-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCO)C2)C1 ZINC001033673262 799780112 /nfs/dbraw/zinc/78/01/12/799780112.db2.gz WRLQXBPFTWKEBG-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001033673262 799780115 /nfs/dbraw/zinc/78/01/15/799780115.db2.gz WRLQXBPFTWKEBG-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001033673262 799780118 /nfs/dbraw/zinc/78/01/18/799780118.db2.gz WRLQXBPFTWKEBG-CHWSQXEVSA-N 2 1 285.388 -0.768 20 0 CBADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCO)C1 ZINC001033777288 799789772 /nfs/dbraw/zinc/78/97/72/799789772.db2.gz UOOUPPPKBOZTPE-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCO)C1 ZINC001033777288 799789777 /nfs/dbraw/zinc/78/97/77/799789777.db2.gz UOOUPPPKBOZTPE-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCO)C1 ZINC001033777288 799789782 /nfs/dbraw/zinc/78/97/82/799789782.db2.gz UOOUPPPKBOZTPE-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@H+](CCO)C1 ZINC001033867921 799796695 /nfs/dbraw/zinc/79/66/95/799796695.db2.gz AESJDHFCGBBRSI-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033867921 799796703 /nfs/dbraw/zinc/79/67/03/799796703.db2.gz AESJDHFCGBBRSI-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](CCO)C1 ZINC001033867921 799796705 /nfs/dbraw/zinc/79/67/05/799796705.db2.gz AESJDHFCGBBRSI-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](CCO)C1 ZINC001033867921 799796708 /nfs/dbraw/zinc/79/67/08/799796708.db2.gz AESJDHFCGBBRSI-HZSPNIEDSA-N 2 1 299.415 -0.379 20 0 CBADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001034040570 799808052 /nfs/dbraw/zinc/80/80/52/799808052.db2.gz VNLDUTZGIXDFTA-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCO)C1 ZINC001034040570 799808055 /nfs/dbraw/zinc/80/80/55/799808055.db2.gz VNLDUTZGIXDFTA-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCO)C1 ZINC001034040570 799808064 /nfs/dbraw/zinc/80/80/64/799808064.db2.gz VNLDUTZGIXDFTA-QWHCGFSZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034148336 799817292 /nfs/dbraw/zinc/81/72/92/799817292.db2.gz IPEJOACRGFBHRP-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034148336 799817299 /nfs/dbraw/zinc/81/72/99/799817299.db2.gz IPEJOACRGFBHRP-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](CCCO)C2)C1 ZINC001034148336 799817307 /nfs/dbraw/zinc/81/73/07/799817307.db2.gz IPEJOACRGFBHRP-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCCO)C2)C1 ZINC001034148336 799817313 /nfs/dbraw/zinc/81/73/13/799817313.db2.gz IPEJOACRGFBHRP-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)C1 ZINC001034797974 799857951 /nfs/dbraw/zinc/85/79/51/799857951.db2.gz UUALDCBRZNBZNG-IHRRRGAJSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)C1 ZINC001034797974 799857957 /nfs/dbraw/zinc/85/79/57/799857957.db2.gz UUALDCBRZNBZNG-IHRRRGAJSA-N 2 1 299.415 -0.284 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001036113521 799977914 /nfs/dbraw/zinc/97/79/14/799977914.db2.gz RKLXBANENNBESY-JQWIXIFHSA-N 2 1 293.371 -0.497 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036895653 800013159 /nfs/dbraw/zinc/01/31/59/800013159.db2.gz BQTITVNNEZFWHK-UONOGXRCSA-N 2 1 281.400 -0.003 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2CCO)CC[N@@H+]1C ZINC001038267926 800090459 /nfs/dbraw/zinc/09/04/59/800090459.db2.gz FNOBOOMWWUUGLX-GRYCIOLGSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2CCO)CC[N@H+]1C ZINC001038267926 800090465 /nfs/dbraw/zinc/09/04/65/800090465.db2.gz FNOBOOMWWUUGLX-GRYCIOLGSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCO)CC[NH+]1C ZINC001038267926 800090471 /nfs/dbraw/zinc/09/04/71/800090471.db2.gz FNOBOOMWWUUGLX-GRYCIOLGSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCO)CC[NH+]1C ZINC001038267926 800090477 /nfs/dbraw/zinc/09/04/77/800090477.db2.gz FNOBOOMWWUUGLX-GRYCIOLGSA-N 2 1 255.362 -0.491 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+]1CCO)C12CCC[NH+]1CCC2 ZINC001038456089 800114275 /nfs/dbraw/zinc/11/42/75/800114275.db2.gz VHQCCPIWTURRIM-LBPRGKRZSA-N 2 1 267.373 -0.202 20 0 CBADMP O=C(NC[C@@H]1CC[N@@H+]1CCO)C12CCC[NH+]1CCC2 ZINC001038456089 800114282 /nfs/dbraw/zinc/11/42/82/800114282.db2.gz VHQCCPIWTURRIM-LBPRGKRZSA-N 2 1 267.373 -0.202 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038664404 801235106 /nfs/dbraw/zinc/23/51/06/801235106.db2.gz UWNAALADZIMBTB-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+]1CCO)C12CC[NH+](CC1)C2 ZINC001038921118 801267793 /nfs/dbraw/zinc/26/77/93/801267793.db2.gz QGNJKTOYAQMQRO-NSHDSACASA-N 2 1 253.346 -0.735 20 0 CBADMP O=C(NC[C@@H]1CC[N@@H+]1CCO)C12CC[NH+](CC1)C2 ZINC001038921118 801267800 /nfs/dbraw/zinc/26/78/00/801267800.db2.gz QGNJKTOYAQMQRO-NSHDSACASA-N 2 1 253.346 -0.735 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCO)C1 ZINC001040005933 801307053 /nfs/dbraw/zinc/30/70/53/801307053.db2.gz LUPFTXOJDCQANG-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCO)C1 ZINC001040005933 801307061 /nfs/dbraw/zinc/30/70/61/801307061.db2.gz LUPFTXOJDCQANG-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCO)C1 ZINC001040005933 801307064 /nfs/dbraw/zinc/30/70/64/801307064.db2.gz LUPFTXOJDCQANG-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001040005933 801307072 /nfs/dbraw/zinc/30/70/72/801307072.db2.gz LUPFTXOJDCQANG-MCIONIFRSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCO)C3)C2)C1 ZINC001041168853 801373151 /nfs/dbraw/zinc/37/31/51/801373151.db2.gz XRJJSMVOAPHVGS-HIFRSBDPSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCO)C3)C2)C1 ZINC001041168853 801373160 /nfs/dbraw/zinc/37/31/60/801373160.db2.gz XRJJSMVOAPHVGS-HIFRSBDPSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@]3(CC[N@H+](CCO)C3)C2)C1 ZINC001041168853 801373166 /nfs/dbraw/zinc/37/31/66/801373166.db2.gz XRJJSMVOAPHVGS-HIFRSBDPSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CCO)C3)C2)C1 ZINC001041168853 801373174 /nfs/dbraw/zinc/37/31/74/801373174.db2.gz XRJJSMVOAPHVGS-HIFRSBDPSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@]3(CC[NH+](CCO)C3)C2)C1 ZINC001041168855 801373523 /nfs/dbraw/zinc/37/35/23/801373523.db2.gz XRJJSMVOAPHVGS-ZFWWWQNUSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@]3(CC[NH+](CCO)C3)C2)C1 ZINC001041168855 801373531 /nfs/dbraw/zinc/37/35/31/801373531.db2.gz XRJJSMVOAPHVGS-ZFWWWQNUSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@]3(CC[N@H+](CCO)C3)C2)C1 ZINC001041168855 801373540 /nfs/dbraw/zinc/37/35/40/801373540.db2.gz XRJJSMVOAPHVGS-ZFWWWQNUSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CCO)C3)C2)C1 ZINC001041168855 801373551 /nfs/dbraw/zinc/37/35/51/801373551.db2.gz XRJJSMVOAPHVGS-ZFWWWQNUSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCO)C3)C2)C1 ZINC001041168852 801373994 /nfs/dbraw/zinc/37/39/94/801373994.db2.gz XRJJSMVOAPHVGS-DZGCQCFKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCO)C3)C2)C1 ZINC001041168852 801374001 /nfs/dbraw/zinc/37/40/01/801374001.db2.gz XRJJSMVOAPHVGS-DZGCQCFKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CCO)C3)C2)C1 ZINC001041168852 801374004 /nfs/dbraw/zinc/37/40/04/801374004.db2.gz XRJJSMVOAPHVGS-DZGCQCFKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCO)C3)C2)C1 ZINC001041168852 801374013 /nfs/dbraw/zinc/37/40/13/801374013.db2.gz XRJJSMVOAPHVGS-DZGCQCFKSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCO)C3)C2)C1 ZINC001041168854 801374470 /nfs/dbraw/zinc/37/44/70/801374470.db2.gz XRJJSMVOAPHVGS-UKRRQHHQSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCO)C3)C2)C1 ZINC001041168854 801374477 /nfs/dbraw/zinc/37/44/77/801374477.db2.gz XRJJSMVOAPHVGS-UKRRQHHQSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](CCO)C3)C2)C1 ZINC001041168854 801374482 /nfs/dbraw/zinc/37/44/82/801374482.db2.gz XRJJSMVOAPHVGS-UKRRQHHQSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCO)C3)C2)C1 ZINC001041168854 801374489 /nfs/dbraw/zinc/37/44/89/801374489.db2.gz XRJJSMVOAPHVGS-UKRRQHHQSA-N 2 1 297.399 -0.766 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001046330572 801752319 /nfs/dbraw/zinc/75/23/19/801752319.db2.gz NFKJAERQUDDNHN-YWPYICTPSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001046330572 801752322 /nfs/dbraw/zinc/75/23/22/801752322.db2.gz NFKJAERQUDDNHN-YWPYICTPSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001046330572 801752329 /nfs/dbraw/zinc/75/23/29/801752329.db2.gz NFKJAERQUDDNHN-YWPYICTPSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001046330572 801752333 /nfs/dbraw/zinc/75/23/33/801752333.db2.gz NFKJAERQUDDNHN-YWPYICTPSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@]1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+](CC(N)=O)C1 ZINC001046323074 801753128 /nfs/dbraw/zinc/75/31/28/801753128.db2.gz GFHRLSNTANEWFK-WFASDCNBSA-N 2 1 294.399 -0.606 20 0 CBADMP C[C@]1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+](CC(N)=O)C1 ZINC001046323074 801753136 /nfs/dbraw/zinc/75/31/36/801753136.db2.gz GFHRLSNTANEWFK-WFASDCNBSA-N 2 1 294.399 -0.606 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001046831947 801796334 /nfs/dbraw/zinc/79/63/34/801796334.db2.gz SPOJQXVCXICNCJ-MFKMUULPSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001046831947 801796338 /nfs/dbraw/zinc/79/63/38/801796338.db2.gz SPOJQXVCXICNCJ-MFKMUULPSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)C1 ZINC001046831947 801796339 /nfs/dbraw/zinc/79/63/39/801796339.db2.gz SPOJQXVCXICNCJ-MFKMUULPSA-N 2 1 268.361 -0.996 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)C1 ZINC001046831947 801796342 /nfs/dbraw/zinc/79/63/42/801796342.db2.gz SPOJQXVCXICNCJ-MFKMUULPSA-N 2 1 268.361 -0.996 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CCOC)C2)C1 ZINC001046845908 801797914 /nfs/dbraw/zinc/79/79/14/801797914.db2.gz PHHMRGOUQNCVKV-ZFWWWQNUSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CCOC)C2)C1 ZINC001046845908 801797921 /nfs/dbraw/zinc/79/79/21/801797921.db2.gz PHHMRGOUQNCVKV-ZFWWWQNUSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCOC)C2)C1 ZINC001046845908 801797923 /nfs/dbraw/zinc/79/79/23/801797923.db2.gz PHHMRGOUQNCVKV-ZFWWWQNUSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCOC)C2)C1 ZINC001046845908 801797929 /nfs/dbraw/zinc/79/79/29/801797929.db2.gz PHHMRGOUQNCVKV-ZFWWWQNUSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046839965 801798345 /nfs/dbraw/zinc/79/83/45/801798345.db2.gz VIHAQWZHGMHEHA-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@H+](CCCO)C2)C1 ZINC001046839965 801798349 /nfs/dbraw/zinc/79/83/49/801798349.db2.gz VIHAQWZHGMHEHA-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCCO)C2)C1 ZINC001046839965 801798352 /nfs/dbraw/zinc/79/83/52/801798352.db2.gz VIHAQWZHGMHEHA-GXTWGEPZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)C1 ZINC001046845202 801798540 /nfs/dbraw/zinc/79/85/40/801798540.db2.gz JDPNQYMGJYBVMI-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)C1 ZINC001046845202 801798545 /nfs/dbraw/zinc/79/85/45/801798545.db2.gz JDPNQYMGJYBVMI-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCO)C2)C1 ZINC001046845202 801798547 /nfs/dbraw/zinc/79/85/47/801798547.db2.gz JDPNQYMGJYBVMI-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)C1 ZINC001046845202 801798550 /nfs/dbraw/zinc/79/85/50/801798550.db2.gz JDPNQYMGJYBVMI-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047324498 801835004 /nfs/dbraw/zinc/83/50/04/801835004.db2.gz RBDSVZFNRRNWJF-AVGNSLFASA-N 2 1 287.379 -0.056 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1C[NH+](CCCF)C[C@@H]1O ZINC001047324498 801835010 /nfs/dbraw/zinc/83/50/10/801835010.db2.gz RBDSVZFNRRNWJF-AVGNSLFASA-N 2 1 287.379 -0.056 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1C[NH+](CCCF)C[C@@H]1O ZINC001047324498 801835019 /nfs/dbraw/zinc/83/50/19/801835019.db2.gz RBDSVZFNRRNWJF-AVGNSLFASA-N 2 1 287.379 -0.056 20 0 CBADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047513435 801890580 /nfs/dbraw/zinc/89/05/80/801890580.db2.gz HLPDWKDBHKWOMJ-KBPBESRZSA-N 2 1 299.415 -0.786 20 0 CBADMP CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047544736 801897050 /nfs/dbraw/zinc/89/70/50/801897050.db2.gz IKQOFSPHHLJVBY-RYUDHWBXSA-N 2 1 266.345 -0.136 20 0 CBADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047553741 801898758 /nfs/dbraw/zinc/89/87/58/801898758.db2.gz UZYZDSFMFVMXFW-KBPBESRZSA-N 2 1 299.415 -0.786 20 0 CBADMP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047597808 801907973 /nfs/dbraw/zinc/90/79/73/801907973.db2.gz GIFNQGVBPAILRV-AGIUHOORSA-N 2 1 269.389 -0.148 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001047597808 801907978 /nfs/dbraw/zinc/90/79/78/801907978.db2.gz GIFNQGVBPAILRV-AGIUHOORSA-N 2 1 269.389 -0.148 20 0 CBADMP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001047597808 801907980 /nfs/dbraw/zinc/90/79/80/801907980.db2.gz GIFNQGVBPAILRV-AGIUHOORSA-N 2 1 269.389 -0.148 20 0 CBADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047598507 801909360 /nfs/dbraw/zinc/90/93/60/801909360.db2.gz MDKQHPYTNZGRRO-KBPBESRZSA-N 2 1 293.411 -0.004 20 0 CBADMP CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598580 801909560 /nfs/dbraw/zinc/90/95/60/801909560.db2.gz PPMUCBKKWBPVMN-STQMWFEESA-N 2 1 281.400 -0.006 20 0 CBADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047627675 801915399 /nfs/dbraw/zinc/91/53/99/801915399.db2.gz TXKOMKFJCSHVGV-RDBSUJKOSA-N 2 1 281.400 -0.148 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001047627675 801915403 /nfs/dbraw/zinc/91/54/03/801915403.db2.gz TXKOMKFJCSHVGV-RDBSUJKOSA-N 2 1 281.400 -0.148 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001047627675 801915409 /nfs/dbraw/zinc/91/54/09/801915409.db2.gz TXKOMKFJCSHVGV-RDBSUJKOSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723487 801956741 /nfs/dbraw/zinc/95/67/41/801956741.db2.gz FZPVOKDXDGRLPC-YIYPIFLZSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048723487 801956743 /nfs/dbraw/zinc/95/67/43/801956743.db2.gz FZPVOKDXDGRLPC-YIYPIFLZSA-N 2 1 281.400 -0.148 20 0 CBADMP C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048723487 801956747 /nfs/dbraw/zinc/95/67/47/801956747.db2.gz FZPVOKDXDGRLPC-YIYPIFLZSA-N 2 1 281.400 -0.148 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048721065 801957442 /nfs/dbraw/zinc/95/74/42/801957442.db2.gz WFYWQLMEKLXRFW-FRRDWIJNSA-N 2 1 294.399 -0.783 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048721065 801957445 /nfs/dbraw/zinc/95/74/45/801957445.db2.gz WFYWQLMEKLXRFW-FRRDWIJNSA-N 2 1 294.399 -0.783 20 0 CBADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048721065 801957447 /nfs/dbraw/zinc/95/74/47/801957447.db2.gz WFYWQLMEKLXRFW-FRRDWIJNSA-N 2 1 294.399 -0.783 20 0 CBADMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1)C1CCC1 ZINC001048864753 801975737 /nfs/dbraw/zinc/97/57/37/801975737.db2.gz OFSPIWHMSIWOIC-TXEJJXNPSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1)C1CCC1 ZINC001048864753 801975741 /nfs/dbraw/zinc/97/57/41/801975741.db2.gz OFSPIWHMSIWOIC-TXEJJXNPSA-N 2 1 294.399 -0.654 20 0 CBADMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)C1CCC1 ZINC001048864753 801975744 /nfs/dbraw/zinc/97/57/44/801975744.db2.gz OFSPIWHMSIWOIC-TXEJJXNPSA-N 2 1 294.399 -0.654 20 0 CBADMP O=C(N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)C12CCC[NH+]1CCC2 ZINC001048919438 801980073 /nfs/dbraw/zinc/98/00/73/801980073.db2.gz ZWLVNLGFGYLFNK-OKILXGFUSA-N 2 1 293.411 -0.003 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001049056934 801995874 /nfs/dbraw/zinc/99/58/74/801995874.db2.gz DSHBFEJSSZRWOE-MELADBBJSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049056934 801995878 /nfs/dbraw/zinc/99/58/78/801995878.db2.gz DSHBFEJSSZRWOE-MELADBBJSA-N 2 1 281.400 -0.147 20 0 CBADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049056934 801995880 /nfs/dbraw/zinc/99/58/80/801995880.db2.gz DSHBFEJSSZRWOE-MELADBBJSA-N 2 1 281.400 -0.147 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049116266 801997382 /nfs/dbraw/zinc/99/73/82/801997382.db2.gz HMNBPNBZRMFFMT-OKILXGFUSA-N 2 1 297.399 -0.909 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049116266 801997386 /nfs/dbraw/zinc/99/73/86/801997386.db2.gz HMNBPNBZRMFFMT-OKILXGFUSA-N 2 1 297.399 -0.909 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001049222918 802009457 /nfs/dbraw/zinc/00/94/57/802009457.db2.gz ZJBSCXWKESYGIP-MJBXVCDLSA-N 2 1 297.399 -0.910 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001049222918 802009468 /nfs/dbraw/zinc/00/94/68/802009468.db2.gz ZJBSCXWKESYGIP-MJBXVCDLSA-N 2 1 297.399 -0.910 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)C1 ZINC001049222918 802009475 /nfs/dbraw/zinc/00/94/75/802009475.db2.gz ZJBSCXWKESYGIP-MJBXVCDLSA-N 2 1 297.399 -0.910 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1 ZINC001049222918 802009484 /nfs/dbraw/zinc/00/94/84/802009484.db2.gz ZJBSCXWKESYGIP-MJBXVCDLSA-N 2 1 297.399 -0.910 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CC(N)=O)C1 ZINC001049890232 802043023 /nfs/dbraw/zinc/04/30/23/802043023.db2.gz LKAPOWXZCXGYHZ-RWMBFGLXSA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CC(N)=O)C1 ZINC001049890232 802043029 /nfs/dbraw/zinc/04/30/29/802043029.db2.gz LKAPOWXZCXGYHZ-RWMBFGLXSA-N 2 1 294.399 -0.511 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(N)=O)C1 ZINC001049890232 802043036 /nfs/dbraw/zinc/04/30/36/802043036.db2.gz LKAPOWXZCXGYHZ-RWMBFGLXSA-N 2 1 294.399 -0.511 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(N)=O)C1 ZINC001049890232 802043041 /nfs/dbraw/zinc/04/30/41/802043041.db2.gz LKAPOWXZCXGYHZ-RWMBFGLXSA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CC(N)=O)C1 ZINC001049890233 802043491 /nfs/dbraw/zinc/04/34/91/802043491.db2.gz LKAPOWXZCXGYHZ-XQQFMLRXSA-N 2 1 294.399 -0.511 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CC(N)=O)C1 ZINC001049890233 802043495 /nfs/dbraw/zinc/04/34/95/802043495.db2.gz LKAPOWXZCXGYHZ-XQQFMLRXSA-N 2 1 294.399 -0.511 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(N)=O)C1 ZINC001049890233 802043502 /nfs/dbraw/zinc/04/35/02/802043502.db2.gz LKAPOWXZCXGYHZ-XQQFMLRXSA-N 2 1 294.399 -0.511 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(N)=O)C1 ZINC001049890233 802043506 /nfs/dbraw/zinc/04/35/06/802043506.db2.gz LKAPOWXZCXGYHZ-XQQFMLRXSA-N 2 1 294.399 -0.511 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCO1 ZINC001051939229 802174670 /nfs/dbraw/zinc/17/46/70/802174670.db2.gz YDJHIXJABQCVHZ-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001051939229 802174676 /nfs/dbraw/zinc/17/46/76/802174676.db2.gz YDJHIXJABQCVHZ-OLZOCXBDSA-N 2 1 285.388 -0.456 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052248876 802188792 /nfs/dbraw/zinc/18/87/92/802188792.db2.gz BBJABZOKKCNAIV-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001052248876 802188796 /nfs/dbraw/zinc/18/87/96/802188796.db2.gz BBJABZOKKCNAIV-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001052248876 802188799 /nfs/dbraw/zinc/18/87/99/802188799.db2.gz BBJABZOKKCNAIV-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052276135 802191756 /nfs/dbraw/zinc/19/17/56/802191756.db2.gz XVAXXVPVJQTZBR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052276135 802191761 /nfs/dbraw/zinc/19/17/61/802191761.db2.gz XVAXXVPVJQTZBR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001052276135 802191765 /nfs/dbraw/zinc/19/17/65/802191765.db2.gz XVAXXVPVJQTZBR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001052276135 802191768 /nfs/dbraw/zinc/19/17/68/802191768.db2.gz XVAXXVPVJQTZBR-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052713555 802214068 /nfs/dbraw/zinc/21/40/68/802214068.db2.gz ZUIYIAYXJCGWGC-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)C1 ZINC001052713555 802214077 /nfs/dbraw/zinc/21/40/77/802214077.db2.gz ZUIYIAYXJCGWGC-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC001052713555 802214080 /nfs/dbraw/zinc/21/40/80/802214080.db2.gz ZUIYIAYXJCGWGC-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052934321 802224195 /nfs/dbraw/zinc/22/41/95/802224195.db2.gz IYANZOXPQSOXHS-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938210 802224734 /nfs/dbraw/zinc/22/47/34/802224734.db2.gz UPUVFRPGMRLCCJ-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001054296969 802333149 /nfs/dbraw/zinc/33/31/49/802333149.db2.gz XPBPAEOXZOHVGX-JHJVBQTASA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1[NH2+]CCO ZINC001054829762 802371962 /nfs/dbraw/zinc/37/19/62/802371962.db2.gz IZFBAXMQCBZKLT-GWCFXTLKSA-N 2 1 296.371 -0.221 20 0 CBADMP C[C@@H](O)C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001118149709 812479224 /nfs/dbraw/zinc/47/92/24/812479224.db2.gz NBBJNYMXYBYETI-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCCN(C(=O)C3CC3)CC2)C1 ZINC001119618789 812836801 /nfs/dbraw/zinc/83/68/01/812836801.db2.gz RWORORUPTPSLBU-AVGNSLFASA-N 2 1 267.373 -0.219 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCCN(C(=O)C3CC3)CC2)C1 ZINC001119618789 812836813 /nfs/dbraw/zinc/83/68/13/812836813.db2.gz RWORORUPTPSLBU-AVGNSLFASA-N 2 1 267.373 -0.219 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)[C@H]([NH3+])Cc1ccccn1 ZINC001121931872 813091344 /nfs/dbraw/zinc/09/13/44/813091344.db2.gz DIWHXZIFKROJGI-SECBINFHSA-N 2 1 258.272 -0.338 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001121936641 813092022 /nfs/dbraw/zinc/09/20/22/813092022.db2.gz FLDNYYRFIHMWJS-FVCCEPFGSA-N 2 1 264.373 -0.948 20 0 CBADMP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC(F)(F)C[NH3+] ZINC001122015789 813105206 /nfs/dbraw/zinc/10/52/06/813105206.db2.gz SWBQLVSELZJQDF-DTWKUNHWSA-N 2 1 262.304 -0.915 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC(F)(F)C[NH3+] ZINC001122015789 813105211 /nfs/dbraw/zinc/10/52/11/813105211.db2.gz SWBQLVSELZJQDF-DTWKUNHWSA-N 2 1 262.304 -0.915 20 0 CBADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3occc32)CCO1 ZINC001122014794 813105670 /nfs/dbraw/zinc/10/56/70/813105670.db2.gz HLEIADPRADUPOB-SKDRFNHKSA-N 2 1 265.313 -0.348 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001122368085 813155158 /nfs/dbraw/zinc/15/51/58/813155158.db2.gz MGUHCRIFZITPMG-SRVKXCTJSA-N 2 1 257.378 -0.197 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C(N)=O ZINC001129329536 813838051 /nfs/dbraw/zinc/83/80/51/813838051.db2.gz YDNFHLSTJVEPSX-STQMWFEESA-N 2 1 298.431 -0.066 20 0 CBADMP Cc1cc(C[NH2+]CCNC(=O)CC[NH+](C)C)nn1C ZINC001133294719 814238170 /nfs/dbraw/zinc/23/81/70/814238170.db2.gz QMWIAAZTEQNCIM-UHFFFAOYSA-N 2 1 267.377 -0.114 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cnnn2C)C1 ZINC001133842223 814304171 /nfs/dbraw/zinc/30/41/71/814304171.db2.gz HLIZWBHDXIXQFI-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cnn(C)n2)C1 ZINC001133842324 814305557 /nfs/dbraw/zinc/30/55/57/814305557.db2.gz LPBRNMXFBHFJLB-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cnn(C)n2)C1 ZINC001133842324 814305567 /nfs/dbraw/zinc/30/55/67/814305567.db2.gz LPBRNMXFBHFJLB-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001148577822 814950458 /nfs/dbraw/zinc/95/04/58/814950458.db2.gz FEUFUYMAFFRYEF-LBPRGKRZSA-N 2 1 286.420 -0.099 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001148573590 814951477 /nfs/dbraw/zinc/95/14/77/814951477.db2.gz VUQSSUREPTVUPF-SNVBAGLBSA-N 2 1 258.366 -0.702 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N(C)CC ZINC001148638744 814953728 /nfs/dbraw/zinc/95/37/28/814953728.db2.gz PVKGFLGKSCTRMT-UHFFFAOYSA-N 2 1 272.393 -0.488 20 0 CBADMP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nncn1C ZINC001148638483 814953889 /nfs/dbraw/zinc/95/38/89/814953889.db2.gz IVHJJJACOSIXLD-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nncn1C ZINC001148638483 814953894 /nfs/dbraw/zinc/95/38/94/814953894.db2.gz IVHJJJACOSIXLD-UHFFFAOYSA-N 2 1 268.365 -0.637 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148638949 814954264 /nfs/dbraw/zinc/95/42/64/814954264.db2.gz UZAXFBYGFMIGLL-UHFFFAOYSA-N 2 1 272.393 -0.440 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001148643395 814954384 /nfs/dbraw/zinc/95/43/84/814954384.db2.gz YFNVBASOLFKKNR-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)CC ZINC001148638984 814955109 /nfs/dbraw/zinc/95/51/09/814955109.db2.gz WMAJJSZSLVSACB-GFCCVEGCSA-N 2 1 286.420 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001148638824 814955222 /nfs/dbraw/zinc/95/52/22/814955222.db2.gz TXQNVUYEUBRIOJ-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148654826 814956092 /nfs/dbraw/zinc/95/60/92/814956092.db2.gz BMNXHZKEPVEEIF-LBPRGKRZSA-N 2 1 286.420 -0.051 20 0 CBADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148654825 814956226 /nfs/dbraw/zinc/95/62/26/814956226.db2.gz BMNXHZKEPVEEIF-GFCCVEGCSA-N 2 1 286.420 -0.051 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001148843415 814958642 /nfs/dbraw/zinc/95/86/42/814958642.db2.gz HKABDCFRKQGOPC-UHFFFAOYSA-N 2 1 269.389 -0.147 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001148843415 814958645 /nfs/dbraw/zinc/95/86/45/814958645.db2.gz HKABDCFRKQGOPC-UHFFFAOYSA-N 2 1 269.389 -0.147 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148843415 814958647 /nfs/dbraw/zinc/95/86/47/814958647.db2.gz HKABDCFRKQGOPC-UHFFFAOYSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](C[NH2+]CCN1CCNC1=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001321740656 803808767 /nfs/dbraw/zinc/80/87/67/803808767.db2.gz ZRYBTEUUGLIJJS-NEPJUHHUSA-N 2 1 297.403 -0.942 20 0 CBADMP C[C@@H](C[NH2+]CCOC1CCC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001321812337 803818731 /nfs/dbraw/zinc/81/87/31/803818731.db2.gz QMZZJYPBIZQOOU-JSGCOSHPSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@@H](C[NH2+]CCOC1CCC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001321812337 803818741 /nfs/dbraw/zinc/81/87/41/803818741.db2.gz QMZZJYPBIZQOOU-JSGCOSHPSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@@H](C[NH2+]CCOCCO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001321899249 803835751 /nfs/dbraw/zinc/83/57/51/803835751.db2.gz XSKIQYHFHZGVJB-STQMWFEESA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]CCCO)C1 ZINC001322083213 803857342 /nfs/dbraw/zinc/85/73/42/803857342.db2.gz QEKIZZTWNUIIJC-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]CCCO)C1 ZINC001322083213 803857348 /nfs/dbraw/zinc/85/73/48/803857348.db2.gz QEKIZZTWNUIIJC-NWDGAFQWSA-N 2 1 273.377 -0.816 20 0 CBADMP CN(CCC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001322442453 803896796 /nfs/dbraw/zinc/89/67/96/803896796.db2.gz LZBLRZAGRYWCLI-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCC[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001322442860 803897055 /nfs/dbraw/zinc/89/70/55/803897055.db2.gz PFBPDSSJKJKIAV-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CN(CCC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001322442454 803897126 /nfs/dbraw/zinc/89/71/26/803897126.db2.gz LZBLRZAGRYWCLI-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001322442452 803897403 /nfs/dbraw/zinc/89/74/03/803897403.db2.gz LZBLRZAGRYWCLI-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCC[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001322648447 803923235 /nfs/dbraw/zinc/92/32/35/803923235.db2.gz MKYXGSJCYJEXDY-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001322832224 803945321 /nfs/dbraw/zinc/94/53/21/803945321.db2.gz TXXHLJSPKPCBIQ-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001323301696 804007355 /nfs/dbraw/zinc/00/73/55/804007355.db2.gz JTTNSYRZWGDLKQ-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001323301696 804007362 /nfs/dbraw/zinc/00/73/62/804007362.db2.gz JTTNSYRZWGDLKQ-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2CCO)C1 ZINC001323301696 804007370 /nfs/dbraw/zinc/00/73/70/804007370.db2.gz JTTNSYRZWGDLKQ-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2CCO)C1 ZINC001323301696 804007378 /nfs/dbraw/zinc/00/73/78/804007378.db2.gz JTTNSYRZWGDLKQ-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1C[C@H](C)O ZINC001323359080 804015276 /nfs/dbraw/zinc/01/52/76/804015276.db2.gz ZBFGFOVCDVBINS-RYUDHWBXSA-N 2 1 257.378 -0.102 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C[C@H](C)O ZINC001323359080 804015285 /nfs/dbraw/zinc/01/52/85/804015285.db2.gz ZBFGFOVCDVBINS-RYUDHWBXSA-N 2 1 257.378 -0.102 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOCCO)CC1 ZINC001323407775 804023635 /nfs/dbraw/zinc/02/36/35/804023635.db2.gz XPNUNEQXXWOMCJ-LBPRGKRZSA-N 2 1 285.388 -0.672 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CC[NH+](CCCCO)CC1)C1CC1 ZINC001324145885 804113447 /nfs/dbraw/zinc/11/34/47/804113447.db2.gz QDQGJSIHIOCKKI-HNNXBMFYSA-N 2 1 285.432 -0.168 20 0 CBADMP CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CCO)C1)[NH+](C)C ZINC001324661401 804184412 /nfs/dbraw/zinc/18/44/12/804184412.db2.gz MSVZRXLPJIVCKW-WCQYABFASA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C[NH2+]C(C)(C)C ZINC001324697323 804189649 /nfs/dbraw/zinc/18/96/49/804189649.db2.gz DHUPIMQHUHTOIK-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C[NH2+]C(C)(C)C ZINC001324697323 804189652 /nfs/dbraw/zinc/18/96/52/804189652.db2.gz DHUPIMQHUHTOIK-LLVKDONJSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)N1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001325317433 804277429 /nfs/dbraw/zinc/27/74/29/804277429.db2.gz AQHPTMYHPQZIJT-UHFFFAOYSA-N 2 1 257.378 -0.102 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)CC[N@H+]1C ZINC001325371482 804281662 /nfs/dbraw/zinc/28/16/62/804281662.db2.gz XRKCUPBEBGJZRV-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC001325734583 804310035 /nfs/dbraw/zinc/31/00/35/804310035.db2.gz ORWPHLUSGCLDMC-FRRDWIJNSA-N 2 1 296.415 -0.156 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001149981597 815014904 /nfs/dbraw/zinc/01/49/04/815014904.db2.gz BPGIDTMAVWGAMN-CYBMUJFWSA-N 2 1 296.371 -0.609 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001149981597 815014910 /nfs/dbraw/zinc/01/49/10/815014910.db2.gz BPGIDTMAVWGAMN-CYBMUJFWSA-N 2 1 296.371 -0.609 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001150240967 815022339 /nfs/dbraw/zinc/02/23/39/815022339.db2.gz KFQOBPNOJVQUPE-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150469854 815032524 /nfs/dbraw/zinc/03/25/24/815032524.db2.gz JPZZEQLPLUJJCQ-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715402 815040962 /nfs/dbraw/zinc/04/09/62/815040962.db2.gz KJJFPRPHBNAXFQ-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001150715397 815041303 /nfs/dbraw/zinc/04/13/03/815041303.db2.gz KHVDZPGEUBTKFB-AWEZNQCLSA-N 2 1 299.415 -0.328 20 0 CBADMP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048445 815051374 /nfs/dbraw/zinc/05/13/74/815051374.db2.gz BBYYASNMYVWEEB-ZDUSSCGKSA-N 2 1 296.415 -0.488 20 0 CBADMP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048487 815051663 /nfs/dbraw/zinc/05/16/63/815051663.db2.gz BOVKNYZEHGLWDJ-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001151065219 815056732 /nfs/dbraw/zinc/05/67/32/815056732.db2.gz IMNWRGSEQCJGFY-RYUDHWBXSA-N 2 1 292.387 -0.577 20 0 CBADMP Cc1cc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)nn1C ZINC001151048331 815052343 /nfs/dbraw/zinc/05/23/43/815052343.db2.gz AEGSTPPJELOYTJ-LBPRGKRZSA-N 2 1 279.388 -0.114 20 0 CBADMP Cc1cc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)nn1C ZINC001151048331 815052350 /nfs/dbraw/zinc/05/23/50/815052350.db2.gz AEGSTPPJELOYTJ-LBPRGKRZSA-N 2 1 279.388 -0.114 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC2CCC2)C1 ZINC001151048611 815053189 /nfs/dbraw/zinc/05/31/89/815053189.db2.gz CSLOBMBYXJCUMT-CYBMUJFWSA-N 2 1 296.415 -0.440 20 0 CBADMP CCN(C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001151066102 815056813 /nfs/dbraw/zinc/05/68/13/815056813.db2.gz QAZFTVQLYHTTQH-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001151064363 815053984 /nfs/dbraw/zinc/05/39/84/815053984.db2.gz ARIUQXRMWWHUJR-GFCCVEGCSA-N 2 1 265.361 -0.459 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCOCC(F)F)C1 ZINC001151055951 815054571 /nfs/dbraw/zinc/05/45/71/815054571.db2.gz IYGJSDPPDDJVQZ-JTQLQIEISA-N 2 1 279.331 -0.074 20 0 CBADMP CN1CCC[C@H]([NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001151055990 815054775 /nfs/dbraw/zinc/05/47/75/815054775.db2.gz JTBPRGYJUWFOCC-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001151066084 815055937 /nfs/dbraw/zinc/05/59/37/815055937.db2.gz PNFFALNMLQXLKD-LBPRGKRZSA-N 2 1 277.372 -0.057 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCOC[C@@H]2CCCO2)C1 ZINC001151066736 815056152 /nfs/dbraw/zinc/05/61/52/815056152.db2.gz YIASEECULRFDDV-KGLIPLIRSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCCO[C@H]2CCOC2)C1 ZINC001151065688 815056193 /nfs/dbraw/zinc/05/61/93/815056193.db2.gz MVAWXHSTFAZTFI-KBPBESRZSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001151065220 815056646 /nfs/dbraw/zinc/05/66/46/815056646.db2.gz IMNWRGSEQCJGFY-VXGBXAGGSA-N 2 1 292.387 -0.577 20 0 CBADMP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)ncn1 ZINC001151066973 815057037 /nfs/dbraw/zinc/05/70/37/815057037.db2.gz ZLMFRVLUNMHCKA-GFCCVEGCSA-N 2 1 277.372 -0.057 20 0 CBADMP CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065645 815057142 /nfs/dbraw/zinc/05/71/42/815057142.db2.gz LUVMBIZMXCWEGO-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CCCC[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001151065838 815057746 /nfs/dbraw/zinc/05/77/46/815057746.db2.gz NLNFATAENZXDNJ-NWDGAFQWSA-N 2 1 284.404 -0.312 20 0 CBADMP CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001151066980 815057829 /nfs/dbraw/zinc/05/78/29/815057829.db2.gz ZSBNTDRVTZLSGF-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151074066 815058734 /nfs/dbraw/zinc/05/87/34/815058734.db2.gz UPBDTOKNANHQHB-STQMWFEESA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001151073460 815059342 /nfs/dbraw/zinc/05/93/42/815059342.db2.gz LPLDORUUFRXPHB-RYUDHWBXSA-N 2 1 298.431 -0.053 20 0 CBADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072741077 805333374 /nfs/dbraw/zinc/33/33/74/805333374.db2.gz WNHWXNRNXPOXFS-CQSZACIVSA-N 2 1 293.411 -0.145 20 0 CBADMP C[N@@H+](CC(=O)N1CC2(C1)CC[NH+](CCO)C2)C1CCC1 ZINC001072817002 805338117 /nfs/dbraw/zinc/33/81/17/805338117.db2.gz LLQVQBRXVDIBLI-UHFFFAOYSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+](CC(=O)N1CC2(C1)CC[N@H+](CCO)C2)C1CCC1 ZINC001072817002 805338124 /nfs/dbraw/zinc/33/81/24/805338124.db2.gz LLQVQBRXVDIBLI-UHFFFAOYSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+](CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2)C1CCC1 ZINC001072817002 805338132 /nfs/dbraw/zinc/33/81/32/805338132.db2.gz LLQVQBRXVDIBLI-UHFFFAOYSA-N 2 1 281.400 -0.003 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072854368 805340596 /nfs/dbraw/zinc/34/05/96/805340596.db2.gz LIEAVFFFGPOIIQ-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072854368 805340602 /nfs/dbraw/zinc/34/06/02/805340602.db2.gz LIEAVFFFGPOIIQ-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072854368 805340607 /nfs/dbraw/zinc/34/06/07/805340607.db2.gz LIEAVFFFGPOIIQ-ZDUSSCGKSA-N 2 1 281.400 -0.003 20 0 CBADMP CC[C@H](C(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(N)=O)C2)[NH+](C)C ZINC001072850938 805341300 /nfs/dbraw/zinc/34/13/00/805341300.db2.gz FCVWBBNNKUUBNJ-VXGBXAGGSA-N 2 1 296.415 -0.265 20 0 CBADMP C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072859090 805341478 /nfs/dbraw/zinc/34/14/78/805341478.db2.gz VTYFJNTUEKXVJN-LBPRGKRZSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)C2 ZINC001072859090 805341488 /nfs/dbraw/zinc/34/14/88/805341488.db2.gz VTYFJNTUEKXVJN-LBPRGKRZSA-N 2 1 294.399 -0.510 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001072859090 805341497 /nfs/dbraw/zinc/34/14/97/805341497.db2.gz VTYFJNTUEKXVJN-LBPRGKRZSA-N 2 1 294.399 -0.510 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001072859090 805341500 /nfs/dbraw/zinc/34/15/00/805341500.db2.gz VTYFJNTUEKXVJN-LBPRGKRZSA-N 2 1 294.399 -0.510 20 0 CBADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(N)=O)C2)[NH+](C)C ZINC001072989106 805351857 /nfs/dbraw/zinc/35/18/57/805351857.db2.gz FCVWBBNNKUUBNJ-RYUDHWBXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073426010 805367086 /nfs/dbraw/zinc/36/70/86/805367086.db2.gz NYJMHLNEOYKBGX-NWDGAFQWSA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001073426010 805367095 /nfs/dbraw/zinc/36/70/95/805367095.db2.gz NYJMHLNEOYKBGX-NWDGAFQWSA-N 2 1 294.399 -0.654 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426010 805367101 /nfs/dbraw/zinc/36/71/01/805367101.db2.gz NYJMHLNEOYKBGX-NWDGAFQWSA-N 2 1 294.399 -0.654 20 0 CBADMP COCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073554391 805388691 /nfs/dbraw/zinc/38/86/91/805388691.db2.gz GZYQJKFWNVQMSQ-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001073554391 805388701 /nfs/dbraw/zinc/38/87/01/805388701.db2.gz GZYQJKFWNVQMSQ-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001073554391 805388706 /nfs/dbraw/zinc/38/87/06/805388706.db2.gz GZYQJKFWNVQMSQ-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP O=C(NC[C@@H]1C[N@@H+](CCO)CCCO1)C12CC[NH+](CC1)C2 ZINC001073861533 805421961 /nfs/dbraw/zinc/42/19/61/805421961.db2.gz DZWIOTNMFDCVKJ-CYBMUJFWSA-N 2 1 297.399 -0.718 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CC)CCCO2)C1 ZINC001073896562 805423582 /nfs/dbraw/zinc/42/35/82/805423582.db2.gz VGGVJNZMFPRSCR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CC)CCCO2)C1 ZINC001073896562 805423584 /nfs/dbraw/zinc/42/35/84/805423584.db2.gz VGGVJNZMFPRSCR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+](CC)CCCO2)C1 ZINC001073896562 805423586 /nfs/dbraw/zinc/42/35/86/805423586.db2.gz VGGVJNZMFPRSCR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](CC)CCCO2)C1 ZINC001073896562 805423588 /nfs/dbraw/zinc/42/35/88/805423588.db2.gz VGGVJNZMFPRSCR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)C1 ZINC001073892024 805423646 /nfs/dbraw/zinc/42/36/46/805423646.db2.gz WTGSQZHUWWLQGE-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCCO2)C1 ZINC001073892024 805423647 /nfs/dbraw/zinc/42/36/47/805423647.db2.gz WTGSQZHUWWLQGE-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073892024 805423649 /nfs/dbraw/zinc/42/36/49/805423649.db2.gz WTGSQZHUWWLQGE-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)C1 ZINC001073892023 805423845 /nfs/dbraw/zinc/42/38/45/805423845.db2.gz WTGSQZHUWWLQGE-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@H+](CCO)CCCO2)C1 ZINC001073892023 805423849 /nfs/dbraw/zinc/42/38/49/805423849.db2.gz WTGSQZHUWWLQGE-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073892023 805423855 /nfs/dbraw/zinc/42/38/55/805423855.db2.gz WTGSQZHUWWLQGE-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001074710870 805467051 /nfs/dbraw/zinc/46/70/51/805467051.db2.gz ISMPYHPIHXMAKX-MROQNXINSA-N 2 1 285.388 -0.723 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001074710870 805467054 /nfs/dbraw/zinc/46/70/54/805467054.db2.gz ISMPYHPIHXMAKX-MROQNXINSA-N 2 1 285.388 -0.723 20 0 CBADMP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C)C(N)=O ZINC001074809244 805473620 /nfs/dbraw/zinc/47/36/20/805473620.db2.gz ARCJVIAWRHLNTK-CYDGBPFRSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCO)[C@@H]2C)C1 ZINC001075119215 805483106 /nfs/dbraw/zinc/48/31/06/805483106.db2.gz RIXJTAZSJCNGLV-AVGNSLFASA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCO)[C@@H]2C)C1 ZINC001075119215 805483112 /nfs/dbraw/zinc/48/31/12/805483112.db2.gz RIXJTAZSJCNGLV-AVGNSLFASA-N 2 1 285.388 -0.722 20 0 CBADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21)[NH+](C)C ZINC001075943109 805544621 /nfs/dbraw/zinc/54/46/21/805544621.db2.gz BSKYFDOVIYGETD-YNEHKIRRSA-N 2 1 269.389 -0.148 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOC(C)C)C1 ZINC001151737750 815089575 /nfs/dbraw/zinc/08/95/75/815089575.db2.gz FAFVGJNVRDPASB-ZDUSSCGKSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOC(C)C)C1 ZINC001151737750 815089583 /nfs/dbraw/zinc/08/95/83/815089583.db2.gz FAFVGJNVRDPASB-ZDUSSCGKSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCCCO2)C1 ZINC001151740952 815090148 /nfs/dbraw/zinc/09/01/48/815090148.db2.gz ZYHMFXHIBQDSGT-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCCCO2)C1 ZINC001151740952 815090151 /nfs/dbraw/zinc/09/01/51/815090151.db2.gz ZYHMFXHIBQDSGT-KGLIPLIRSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCCCO2)C1 ZINC001151740951 815090291 /nfs/dbraw/zinc/09/02/91/815090291.db2.gz ZYHMFXHIBQDSGT-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCCCO2)C1 ZINC001151740951 815090295 /nfs/dbraw/zinc/09/02/95/815090295.db2.gz ZYHMFXHIBQDSGT-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC2CC2)C1 ZINC001151747975 815091201 /nfs/dbraw/zinc/09/12/01/815091201.db2.gz ARIGUCXQIYKBDZ-LBPRGKRZSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC2CC2)C1 ZINC001151747975 815091206 /nfs/dbraw/zinc/09/12/06/815091206.db2.gz ARIGUCXQIYKBDZ-LBPRGKRZSA-N 2 1 255.362 -0.177 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]CCn1cncn1 ZINC001152148060 815108478 /nfs/dbraw/zinc/10/84/78/815108478.db2.gz OHSKMNHBVPRVFD-BETUJISGSA-N 2 1 294.403 -0.143 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001152433166 815120963 /nfs/dbraw/zinc/12/09/63/815120963.db2.gz WDHMLBIHUFWGHM-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CCCCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152439482 815120999 /nfs/dbraw/zinc/12/09/99/815120999.db2.gz NTANDKWKMYGMQO-UHFFFAOYSA-N 2 1 286.420 -0.051 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001152439456 815121321 /nfs/dbraw/zinc/12/13/21/815121321.db2.gz MZMSSCNGLMXWGB-UHFFFAOYSA-N 2 1 268.365 -0.639 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001152439456 815121322 /nfs/dbraw/zinc/12/13/22/815121322.db2.gz MZMSSCNGLMXWGB-UHFFFAOYSA-N 2 1 268.365 -0.639 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001152439579 815121821 /nfs/dbraw/zinc/12/18/21/815121821.db2.gz OGLMIHKQLFHXPZ-UHFFFAOYSA-N 2 1 267.377 -0.034 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001152439579 815121825 /nfs/dbraw/zinc/12/18/25/815121825.db2.gz OGLMIHKQLFHXPZ-UHFFFAOYSA-N 2 1 267.377 -0.034 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001152445565 815122246 /nfs/dbraw/zinc/12/22/46/815122246.db2.gz JHQREJSVJCFCTJ-CYBMUJFWSA-N 2 1 297.403 -0.710 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001152451913 815122658 /nfs/dbraw/zinc/12/26/58/815122658.db2.gz MACPZQNZRGHKPJ-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001152452245 815123369 /nfs/dbraw/zinc/12/33/69/815123369.db2.gz YAPRZNMWOXQBBL-CYBMUJFWSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001152452245 815123370 /nfs/dbraw/zinc/12/33/70/815123370.db2.gz YAPRZNMWOXQBBL-CYBMUJFWSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001152458757 815124324 /nfs/dbraw/zinc/12/43/24/815124324.db2.gz SNXKCTGYWKPUFM-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005436 815256384 /nfs/dbraw/zinc/25/63/84/815256384.db2.gz MRBWKCHFLNHOFE-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005436 815256388 /nfs/dbraw/zinc/25/63/88/815256388.db2.gz MRBWKCHFLNHOFE-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023942 815257742 /nfs/dbraw/zinc/25/77/42/815257742.db2.gz OVEAMFLWYYAHFF-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023942 815257745 /nfs/dbraw/zinc/25/77/45/815257745.db2.gz OVEAMFLWYYAHFF-LLVKDONJSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155227342 815270739 /nfs/dbraw/zinc/27/07/39/815270739.db2.gz ZQSSMNYQWQUUIF-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155227342 815270742 /nfs/dbraw/zinc/27/07/42/815270742.db2.gz ZQSSMNYQWQUUIF-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155227342 815270746 /nfs/dbraw/zinc/27/07/46/815270746.db2.gz ZQSSMNYQWQUUIF-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155227342 815270749 /nfs/dbraw/zinc/27/07/49/815270749.db2.gz ZQSSMNYQWQUUIF-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255616 815273415 /nfs/dbraw/zinc/27/34/15/815273415.db2.gz WBPWDHAGTNWNHI-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255616 815273422 /nfs/dbraw/zinc/27/34/22/815273422.db2.gz WBPWDHAGTNWNHI-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155255616 815273424 /nfs/dbraw/zinc/27/34/24/815273424.db2.gz WBPWDHAGTNWNHI-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155255616 815273430 /nfs/dbraw/zinc/27/34/30/815273430.db2.gz WBPWDHAGTNWNHI-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH+]1CCN(c2nccc(N[C@@H]3COC[C@@H]3[NH3+])n2)CC1 ZINC001155354203 815279607 /nfs/dbraw/zinc/27/96/07/815279607.db2.gz AYGXOOZPFXLOKJ-WDEREUQCSA-N 2 1 278.360 -0.634 20 0 CBADMP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ncnc3c2C[NH2+]C3)N1 ZINC001155573151 815296712 /nfs/dbraw/zinc/29/67/12/815296712.db2.gz YPXCUEWHZLXVJC-BXKDBHETSA-N 2 1 260.301 -0.930 20 0 CBADMP Cn1cc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001155789600 815310759 /nfs/dbraw/zinc/31/07/59/815310759.db2.gz FOBCISXXFHWAQL-GFCCVEGCSA-N 2 1 280.376 -0.495 20 0 CBADMP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155789188 815311925 /nfs/dbraw/zinc/31/19/25/815311925.db2.gz BGHRKFVJNYDHHW-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001155790692 815312103 /nfs/dbraw/zinc/31/21/03/815312103.db2.gz MDQBPPMNWXDRNA-VHSXEESVSA-N 2 1 256.350 -0.950 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001155791569 815313266 /nfs/dbraw/zinc/31/32/66/815313266.db2.gz WYNGCFUSWCFEJJ-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001155813669 815314728 /nfs/dbraw/zinc/31/47/28/815314728.db2.gz SXPQOGKVSUUCLN-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC2CCOCC2)C1 ZINC001156126334 815338318 /nfs/dbraw/zinc/33/83/18/815338318.db2.gz VVOPKZRPUDUUSL-AWEZNQCLSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC2CCOCC2)C1 ZINC001156126334 815338324 /nfs/dbraw/zinc/33/83/24/815338324.db2.gz VVOPKZRPUDUUSL-AWEZNQCLSA-N 2 1 299.415 -0.161 20 0 CBADMP CCOCCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156125926 815338468 /nfs/dbraw/zinc/33/84/68/815338468.db2.gz QKDCQDNASIJJIN-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP CCOCCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156125926 815338475 /nfs/dbraw/zinc/33/84/75/815338475.db2.gz QKDCQDNASIJJIN-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001156126130 815338704 /nfs/dbraw/zinc/33/87/04/815338704.db2.gz RSPLPGYYQFCWFS-STQMWFEESA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001156126130 815338712 /nfs/dbraw/zinc/33/87/12/815338712.db2.gz RSPLPGYYQFCWFS-STQMWFEESA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCCF)C1 ZINC001156145103 815340570 /nfs/dbraw/zinc/34/05/70/815340570.db2.gz HWKNJAAQGKFZHN-NSHDSACASA-N 2 1 261.341 -0.228 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCCF)C1 ZINC001156145103 815340576 /nfs/dbraw/zinc/34/05/76/815340576.db2.gz HWKNJAAQGKFZHN-NSHDSACASA-N 2 1 261.341 -0.228 20 0 CBADMP Cn1ccnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156145521 815341117 /nfs/dbraw/zinc/34/11/17/815341117.db2.gz MPEAYTGFRSGFHJ-LBPRGKRZSA-N 2 1 295.387 -0.653 20 0 CBADMP Cn1ccnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156145521 815341120 /nfs/dbraw/zinc/34/11/20/815341120.db2.gz MPEAYTGFRSGFHJ-LBPRGKRZSA-N 2 1 295.387 -0.653 20 0 CBADMP CCN(CC(N)=O)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200458 815344677 /nfs/dbraw/zinc/34/46/77/815344677.db2.gz MSNOVEQGGPNQPZ-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200458 815344681 /nfs/dbraw/zinc/34/46/81/815344681.db2.gz MSNOVEQGGPNQPZ-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200458 815344687 /nfs/dbraw/zinc/34/46/87/815344687.db2.gz MSNOVEQGGPNQPZ-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CC(N)=O ZINC001156200458 815344688 /nfs/dbraw/zinc/34/46/88/815344688.db2.gz MSNOVEQGGPNQPZ-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC(N)=O ZINC001156200458 815344694 /nfs/dbraw/zinc/34/46/94/815344694.db2.gz MSNOVEQGGPNQPZ-LLVKDONJSA-N 2 1 272.393 -0.360 20 0 CBADMP O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001086093230 810241030 /nfs/dbraw/zinc/24/10/30/810241030.db2.gz FGWGCQOYSMELLK-RQJABVFESA-N 2 1 297.399 -0.674 20 0 CBADMP 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 810241619 /nfs/dbraw/zinc/24/16/19/810241619.db2.gz WAQKXLMRQVGAMC-OBPIAQAESA-N 2 1 296.415 -0.315 20 0 CBADMP O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001086093228 810241654 /nfs/dbraw/zinc/24/16/54/810241654.db2.gz FGWGCQOYSMELLK-CRWXNKLISA-N 2 1 297.399 -0.674 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)CC[N@H+]1C ZINC001086090845 810241819 /nfs/dbraw/zinc/24/18/19/810241819.db2.gz UKQJWILGGBSRBA-FVCCEPFGSA-N 2 1 269.389 -0.197 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001086122481 810242779 /nfs/dbraw/zinc/24/27/79/810242779.db2.gz MUIDTEIIVKIPCB-RVMXOQNASA-N 2 1 296.415 -0.171 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)O1 ZINC001086120196 810242855 /nfs/dbraw/zinc/24/28/55/810242855.db2.gz ORICLZYHRLALPZ-FVCCEPFGSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)O1 ZINC001086120196 810242863 /nfs/dbraw/zinc/24/28/63/810242863.db2.gz ORICLZYHRLALPZ-FVCCEPFGSA-N 2 1 285.388 -0.818 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086122634 810243108 /nfs/dbraw/zinc/24/31/08/810243108.db2.gz SAUNOEVAHDKUAE-FRRDWIJNSA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086198367 810249034 /nfs/dbraw/zinc/24/90/34/810249034.db2.gz QYMJANLNGVYRSQ-WISYIIOYSA-N 2 1 282.388 -0.846 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086271907 810254022 /nfs/dbraw/zinc/25/40/22/810254022.db2.gz OCUYRVLWDUCHTA-ZDEQEGDKSA-N 2 1 269.389 -0.197 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086333373 810260840 /nfs/dbraw/zinc/26/08/40/810260840.db2.gz MQKNFSISLPDFFQ-ZDEQEGDKSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086333373 810260847 /nfs/dbraw/zinc/26/08/47/810260847.db2.gz MQKNFSISLPDFFQ-ZDEQEGDKSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086333372 810261175 /nfs/dbraw/zinc/26/11/75/810261175.db2.gz MQKNFSISLPDFFQ-LPWJVIDDSA-N 2 1 285.388 -0.818 20 0 CBADMP CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086333175 810261067 /nfs/dbraw/zinc/26/10/67/810261067.db2.gz HQAHZUBAPUWXJG-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086333175 810261074 /nfs/dbraw/zinc/26/10/74/810261074.db2.gz HQAHZUBAPUWXJG-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086333372 810261169 /nfs/dbraw/zinc/26/11/69/810261169.db2.gz MQKNFSISLPDFFQ-LPWJVIDDSA-N 2 1 285.388 -0.818 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374756 815356315 /nfs/dbraw/zinc/35/63/15/815356315.db2.gz WNHSZPAFWZPEDQ-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374756 815356322 /nfs/dbraw/zinc/35/63/22/815356322.db2.gz WNHSZPAFWZPEDQ-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374756 815356330 /nfs/dbraw/zinc/35/63/30/815356330.db2.gz WNHSZPAFWZPEDQ-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374756 815356336 /nfs/dbraw/zinc/35/63/36/815356336.db2.gz WNHSZPAFWZPEDQ-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086478504 810273895 /nfs/dbraw/zinc/27/38/95/810273895.db2.gz QYMJANLNGVYRSQ-KKOKHZNYSA-N 2 1 282.388 -0.846 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001086556507 810280589 /nfs/dbraw/zinc/28/05/89/810280589.db2.gz YQIZNWXXBKSCSZ-JHJVBQTASA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001086556507 810280594 /nfs/dbraw/zinc/28/05/94/810280594.db2.gz YQIZNWXXBKSCSZ-JHJVBQTASA-N 2 1 285.388 -0.816 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC ZINC001087827921 810308645 /nfs/dbraw/zinc/30/86/45/810308645.db2.gz RDMJVMSIXHUDKR-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC ZINC001087827921 810308652 /nfs/dbraw/zinc/30/86/52/810308652.db2.gz RDMJVMSIXHUDKR-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC ZINC001087827921 810308662 /nfs/dbraw/zinc/30/86/62/810308662.db2.gz RDMJVMSIXHUDKR-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC ZINC001087827921 810308669 /nfs/dbraw/zinc/30/86/69/810308669.db2.gz RDMJVMSIXHUDKR-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090433058 810497434 /nfs/dbraw/zinc/49/74/34/810497434.db2.gz OCMWPOTZUZFBQK-RYUDHWBXSA-N 2 1 266.345 -0.237 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090433058 810497441 /nfs/dbraw/zinc/49/74/41/810497441.db2.gz OCMWPOTZUZFBQK-RYUDHWBXSA-N 2 1 266.345 -0.237 20 0 CBADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O)[NH+]1CCCC1 ZINC001090490665 810508374 /nfs/dbraw/zinc/50/83/74/810508374.db2.gz SUCYSZXOGQHFNB-QWHCGFSZSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)CC1 ZINC001090542527 810519718 /nfs/dbraw/zinc/51/97/18/810519718.db2.gz FLCVGNJVYCCEAD-QWHCGFSZSA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)CC1 ZINC001090542527 810519723 /nfs/dbraw/zinc/51/97/23/810519723.db2.gz FLCVGNJVYCCEAD-QWHCGFSZSA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)CC1 ZINC001090542526 810520806 /nfs/dbraw/zinc/52/08/06/810520806.db2.gz FLCVGNJVYCCEAD-OLZOCXBDSA-N 2 1 287.379 -0.151 20 0 CBADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)CC1 ZINC001090542526 810520812 /nfs/dbraw/zinc/52/08/12/810520812.db2.gz FLCVGNJVYCCEAD-OLZOCXBDSA-N 2 1 287.379 -0.151 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+](CCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090731767 810559790 /nfs/dbraw/zinc/55/97/90/810559790.db2.gz WBTSLNAMDGFONH-VXGBXAGGSA-N 2 1 285.363 -0.397 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](CCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090731767 810559799 /nfs/dbraw/zinc/55/97/99/810559799.db2.gz WBTSLNAMDGFONH-VXGBXAGGSA-N 2 1 285.363 -0.397 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090731129 810560196 /nfs/dbraw/zinc/56/01/96/810560196.db2.gz PQWLWTMOTVIYOB-QWHCGFSZSA-N 2 1 297.399 -0.984 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090808875 810569755 /nfs/dbraw/zinc/56/97/55/810569755.db2.gz PINIMAFVSHGQAL-STQMWFEESA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090808875 810569759 /nfs/dbraw/zinc/56/97/59/810569759.db2.gz PINIMAFVSHGQAL-STQMWFEESA-N 2 1 296.371 -0.875 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090812227 810570386 /nfs/dbraw/zinc/57/03/86/810570386.db2.gz FXUSMVUSNYFALT-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP COCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808457 810571086 /nfs/dbraw/zinc/57/10/86/810571086.db2.gz LHERDACKEPWCFF-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808457 810571091 /nfs/dbraw/zinc/57/10/91/810571091.db2.gz LHERDACKEPWCFF-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001090970622 810583408 /nfs/dbraw/zinc/58/34/08/810583408.db2.gz HQAHZUBAPUWXJG-MCIGGMRASA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001090970622 810583412 /nfs/dbraw/zinc/58/34/12/810583412.db2.gz HQAHZUBAPUWXJG-MCIGGMRASA-N 2 1 255.362 -0.179 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091059101 810586283 /nfs/dbraw/zinc/58/62/83/810586283.db2.gz CCIDLGKOQQTFEC-WXRRBKDZSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCO)C2)O1 ZINC001091097329 810591993 /nfs/dbraw/zinc/59/19/93/810591993.db2.gz ORICLZYHRLALPZ-IKWCTNDRSA-N 2 1 285.388 -0.818 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCO)C2)O1 ZINC001091097329 810592000 /nfs/dbraw/zinc/59/20/00/810592000.db2.gz ORICLZYHRLALPZ-IKWCTNDRSA-N 2 1 285.388 -0.818 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001091201437 810597749 /nfs/dbraw/zinc/59/77/49/810597749.db2.gz SIAVEGXDZGIIHR-RUXDESIVSA-N 2 1 299.415 -0.428 20 0 CBADMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+](CCO)C2 ZINC001092203197 810625021 /nfs/dbraw/zinc/62/50/21/810625021.db2.gz HXFMWJAGWMNIEX-HIFRSBDPSA-N 2 1 293.411 -0.145 20 0 CBADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890812 815388466 /nfs/dbraw/zinc/38/84/66/815388466.db2.gz UBQREWDGCWAJNU-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890812 815388471 /nfs/dbraw/zinc/38/84/71/815388471.db2.gz UBQREWDGCWAJNU-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092723901 810639546 /nfs/dbraw/zinc/63/95/46/810639546.db2.gz DDPWQYWXMKSPTA-AAVRWANBSA-N 2 1 299.415 -0.618 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092723901 810639550 /nfs/dbraw/zinc/63/95/50/810639550.db2.gz DDPWQYWXMKSPTA-AAVRWANBSA-N 2 1 299.415 -0.618 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092723901 810639553 /nfs/dbraw/zinc/63/95/53/810639553.db2.gz DDPWQYWXMKSPTA-AAVRWANBSA-N 2 1 299.415 -0.618 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092723901 810639557 /nfs/dbraw/zinc/63/95/57/810639557.db2.gz DDPWQYWXMKSPTA-AAVRWANBSA-N 2 1 299.415 -0.618 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092736321 810639802 /nfs/dbraw/zinc/63/98/02/810639802.db2.gz PRDZYRQUFQHWEL-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001092736321 810639808 /nfs/dbraw/zinc/63/98/08/810639808.db2.gz PRDZYRQUFQHWEL-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001092736321 810639813 /nfs/dbraw/zinc/63/98/13/810639813.db2.gz PRDZYRQUFQHWEL-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890812 815388475 /nfs/dbraw/zinc/38/84/75/815388475.db2.gz UBQREWDGCWAJNU-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890812 815388480 /nfs/dbraw/zinc/38/84/80/815388480.db2.gz UBQREWDGCWAJNU-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2=O)C1 ZINC001094713589 810726904 /nfs/dbraw/zinc/72/69/04/810726904.db2.gz DIPYLPXJDRCVDM-WCQYABFASA-N 2 1 294.399 -0.498 20 0 CBADMP CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2=O)C1 ZINC001094713589 810726908 /nfs/dbraw/zinc/72/69/08/810726908.db2.gz DIPYLPXJDRCVDM-WCQYABFASA-N 2 1 294.399 -0.498 20 0 CBADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)C12CC[NH+](CC1)C2 ZINC001096356144 810776343 /nfs/dbraw/zinc/77/63/43/810776343.db2.gz MSVULXJGWVBLHC-AGIUHOORSA-N 2 1 279.384 -0.204 20 0 CBADMP CN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1 ZINC001096914532 810789055 /nfs/dbraw/zinc/78/90/55/810789055.db2.gz XNLHWTKHQLBUOZ-FVCCEPFGSA-N 2 1 283.372 -0.969 20 0 CBADMP CN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCO)C1 ZINC001096914532 810789059 /nfs/dbraw/zinc/78/90/59/810789059.db2.gz XNLHWTKHQLBUOZ-FVCCEPFGSA-N 2 1 283.372 -0.969 20 0 CBADMP CN1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)C1 ZINC001096914046 810789847 /nfs/dbraw/zinc/78/98/47/810789847.db2.gz DHNJGUXDUWOFEH-MQYQWHSLSA-N 2 1 297.399 -0.579 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971097 810980444 /nfs/dbraw/zinc/98/04/44/810980444.db2.gz AMCFVGODDGYRRH-RYUDHWBXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099973615 810982007 /nfs/dbraw/zinc/98/20/07/810982007.db2.gz GGXNJOUVKHVCJF-QWHCGFSZSA-N 2 1 287.404 -0.738 20 0 CBADMP CCOCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099988245 810986485 /nfs/dbraw/zinc/98/64/85/810986485.db2.gz FTHDRPVOIAXHII-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132557 811027105 /nfs/dbraw/zinc/02/71/05/811027105.db2.gz VQXADHHTRZJLLP-RYUDHWBXSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC)C[C@H]1O ZINC001100064200 811010426 /nfs/dbraw/zinc/01/04/26/811010426.db2.gz JUMSQCIIPUXPBH-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC)C[C@H]1O ZINC001100064200 811010430 /nfs/dbraw/zinc/01/04/30/811010430.db2.gz JUMSQCIIPUXPBH-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC)C[C@H]1O ZINC001100064200 811010434 /nfs/dbraw/zinc/01/04/34/811010434.db2.gz JUMSQCIIPUXPBH-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCOC)C[C@@H]1O ZINC001100064170 811010543 /nfs/dbraw/zinc/01/05/43/811010543.db2.gz JHFNJXVKUQLXSW-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCOC)C[C@@H]1O ZINC001100064170 811010550 /nfs/dbraw/zinc/01/05/50/811010550.db2.gz JHFNJXVKUQLXSW-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001100064170 811010556 /nfs/dbraw/zinc/01/05/56/811010556.db2.gz JHFNJXVKUQLXSW-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076527 811015267 /nfs/dbraw/zinc/01/52/67/811015267.db2.gz MQDZTXUPVRSLRD-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCO)C[C@H]1O ZINC001100083260 811017428 /nfs/dbraw/zinc/01/74/28/811017428.db2.gz PETPVYGRKPPADL-CHWSQXEVSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100083260 811017436 /nfs/dbraw/zinc/01/74/36/811017436.db2.gz PETPVYGRKPPADL-CHWSQXEVSA-N 2 1 287.404 -0.738 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100083260 811017441 /nfs/dbraw/zinc/01/74/41/811017441.db2.gz PETPVYGRKPPADL-CHWSQXEVSA-N 2 1 287.404 -0.738 20 0 CBADMP COCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109923 811023728 /nfs/dbraw/zinc/02/37/28/811023728.db2.gz MSEGGPRHCKCMJK-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132557 811027095 /nfs/dbraw/zinc/02/70/95/811027095.db2.gz VQXADHHTRZJLLP-RYUDHWBXSA-N 2 1 257.378 -0.102 20 0 CBADMP CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132557 811027099 /nfs/dbraw/zinc/02/70/99/811027099.db2.gz VQXADHHTRZJLLP-RYUDHWBXSA-N 2 1 257.378 -0.102 20 0 CBADMP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001100185490 811034661 /nfs/dbraw/zinc/03/46/61/811034661.db2.gz CIBDJKWTOJHQAR-MCIGGMRASA-N 2 1 282.388 -0.689 20 0 CBADMP COCCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001100212044 811038973 /nfs/dbraw/zinc/03/89/73/811038973.db2.gz LCZUHAWWDBYQHY-JXQTWKCFSA-N 2 1 299.415 -0.162 20 0 CBADMP COCCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001100212044 811038982 /nfs/dbraw/zinc/03/89/82/811038982.db2.gz LCZUHAWWDBYQHY-JXQTWKCFSA-N 2 1 299.415 -0.162 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100831187 811081125 /nfs/dbraw/zinc/08/11/25/811081125.db2.gz JYEDCXDYEJOSIM-UHFFFAOYSA-N 2 1 257.378 -0.195 20 0 CBADMP CNC(=O)C[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100873081 811082663 /nfs/dbraw/zinc/08/26/63/811082663.db2.gz UDSMDZVULGMFHV-HIFPTAJRSA-N 2 1 296.415 -0.441 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001100901856 811084902 /nfs/dbraw/zinc/08/49/02/811084902.db2.gz RGVAGALFESKNQQ-VOMCLLRMSA-N 2 1 284.404 -0.314 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001100989238 811089665 /nfs/dbraw/zinc/08/96/65/811089665.db2.gz PFRWEZMRVRSJHX-GCVQQVDUSA-N 2 1 293.371 -0.450 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100989213 811090241 /nfs/dbraw/zinc/09/02/41/811090241.db2.gz OIAUQJRYSFORBT-UHFFFAOYSA-N 2 1 279.344 -0.839 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1 ZINC001101443586 811103444 /nfs/dbraw/zinc/10/34/44/811103444.db2.gz LJUATIFEFOXIPP-DOMZBBRYSA-N 2 1 296.415 -0.406 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101443586 811103447 /nfs/dbraw/zinc/10/34/47/811103447.db2.gz LJUATIFEFOXIPP-DOMZBBRYSA-N 2 1 296.415 -0.406 20 0 CBADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101443586 811103450 /nfs/dbraw/zinc/10/34/50/811103450.db2.gz LJUATIFEFOXIPP-DOMZBBRYSA-N 2 1 296.415 -0.406 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292518 811147643 /nfs/dbraw/zinc/14/76/43/811147643.db2.gz RAIXEGDTASHROG-JHJVBQTASA-N 2 1 298.431 -0.114 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001102157720 811147975 /nfs/dbraw/zinc/14/79/75/811147975.db2.gz NJCKYGOLPLHSFV-DGCLKSJQSA-N 2 1 280.372 -0.132 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001102157720 811147984 /nfs/dbraw/zinc/14/79/84/811147984.db2.gz NJCKYGOLPLHSFV-DGCLKSJQSA-N 2 1 280.372 -0.132 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292516 811148456 /nfs/dbraw/zinc/14/84/56/811148456.db2.gz QZERGKLTUYPQTD-VXGBXAGGSA-N 2 1 284.404 -0.502 20 0 CBADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001102475232 811156002 /nfs/dbraw/zinc/15/60/02/811156002.db2.gz FKARJHUKCDWKEU-FRRDWIJNSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513979 811157892 /nfs/dbraw/zinc/15/78/92/811157892.db2.gz HZWQOQQLGIYEHL-CHWSQXEVSA-N 2 1 287.404 -0.759 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001102525037 811158856 /nfs/dbraw/zinc/15/88/56/811158856.db2.gz IZIUEHQXSJZBEP-FRRDWIJNSA-N 2 1 298.431 -0.114 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001102525037 811158862 /nfs/dbraw/zinc/15/88/62/811158862.db2.gz IZIUEHQXSJZBEP-FRRDWIJNSA-N 2 1 298.431 -0.114 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001102525037 811158865 /nfs/dbraw/zinc/15/88/65/811158865.db2.gz IZIUEHQXSJZBEP-FRRDWIJNSA-N 2 1 298.431 -0.114 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1C ZINC001102496361 811158948 /nfs/dbraw/zinc/15/89/48/811158948.db2.gz RJDXGFHIHGOGJX-JHJVBQTASA-N 2 1 298.431 -0.114 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001102496361 811158952 /nfs/dbraw/zinc/15/89/52/811158952.db2.gz RJDXGFHIHGOGJX-JHJVBQTASA-N 2 1 298.431 -0.114 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001102496361 811158956 /nfs/dbraw/zinc/15/89/56/811158956.db2.gz RJDXGFHIHGOGJX-JHJVBQTASA-N 2 1 298.431 -0.114 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600517 811160502 /nfs/dbraw/zinc/16/05/02/811160502.db2.gz ITWPXICWCTVARM-CHWSQXEVSA-N 2 1 298.431 -0.243 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102600517 811160507 /nfs/dbraw/zinc/16/05/07/811160507.db2.gz ITWPXICWCTVARM-CHWSQXEVSA-N 2 1 298.431 -0.243 20 0 CBADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102600517 811160510 /nfs/dbraw/zinc/16/05/10/811160510.db2.gz ITWPXICWCTVARM-CHWSQXEVSA-N 2 1 298.431 -0.243 20 0 CBADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102782978 811168518 /nfs/dbraw/zinc/16/85/18/811168518.db2.gz SDWZMFFIGVYZKI-UPJWGTAASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102782978 811168525 /nfs/dbraw/zinc/16/85/25/811168525.db2.gz SDWZMFFIGVYZKI-UPJWGTAASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102782978 811168530 /nfs/dbraw/zinc/16/85/30/811168530.db2.gz SDWZMFFIGVYZKI-UPJWGTAASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819421 811171126 /nfs/dbraw/zinc/17/11/26/811171126.db2.gz SZHBXSUMUZCNML-MCIONIFRSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819421 811171132 /nfs/dbraw/zinc/17/11/32/811171132.db2.gz SZHBXSUMUZCNML-MCIONIFRSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102819421 811171137 /nfs/dbraw/zinc/17/11/37/811171137.db2.gz SZHBXSUMUZCNML-MCIONIFRSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1C[NH+](CCO)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102819421 811171145 /nfs/dbraw/zinc/17/11/45/811171145.db2.gz SZHBXSUMUZCNML-MCIONIFRSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CCO ZINC001104033697 811195046 /nfs/dbraw/zinc/19/50/46/811195046.db2.gz CZUBEEPNMWVEAM-MCIONIFRSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CCO ZINC001104033697 811195050 /nfs/dbraw/zinc/19/50/50/811195050.db2.gz CZUBEEPNMWVEAM-MCIONIFRSA-N 2 1 299.415 -0.617 20 0 CBADMP Cc1cc(N(C(N)=[NH2+])C(=O)C[C@@H]([NH3+])CCCC[NH3+])n[nH]1 ZINC001157440614 815434056 /nfs/dbraw/zinc/43/40/56/815434056.db2.gz ZXIOXUASBZLZGY-VIFPVBQESA-N 3 1 281.364 -0.209 20 0 CBADMP C[NH+]1CCN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001157451034 815435551 /nfs/dbraw/zinc/43/55/51/815435551.db2.gz JJEXLXCXNXQGAY-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106340489 811305191 /nfs/dbraw/zinc/30/51/91/811305191.db2.gz ZWZAXEZCVKPECE-VXGBXAGGSA-N 2 1 298.431 -0.114 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106981709 811321331 /nfs/dbraw/zinc/32/13/31/811321331.db2.gz ZXTAOOIJBPANGK-GRYCIOLGSA-N 2 1 282.388 -0.893 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C1 ZINC001107040773 811322846 /nfs/dbraw/zinc/32/28/46/811322846.db2.gz MUJFCJYFGVPTKF-FRRDWIJNSA-N 2 1 298.431 -0.116 20 0 CBADMP [NH3+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)C[C@H]1F ZINC001157536373 815442338 /nfs/dbraw/zinc/44/23/38/815442338.db2.gz LISMQSIUZOZVAP-BNOWGMLFSA-N 3 1 298.406 -0.042 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)CC[N@@H+]1C ZINC001107954614 811400757 /nfs/dbraw/zinc/40/07/57/811400757.db2.gz SOIXSPXGRRCYLK-NFAWXSAZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)CC[N@H+]1C ZINC001107954614 811400759 /nfs/dbraw/zinc/40/07/59/811400759.db2.gz SOIXSPXGRRCYLK-NFAWXSAZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)CC[NH+]1C ZINC001107954614 811400762 /nfs/dbraw/zinc/40/07/62/811400762.db2.gz SOIXSPXGRRCYLK-NFAWXSAZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)CC[NH+]1C ZINC001107954614 811400764 /nfs/dbraw/zinc/40/07/64/811400764.db2.gz SOIXSPXGRRCYLK-NFAWXSAZSA-N 2 1 299.415 -0.474 20 0 CBADMP CCOC(=O)CN(CCC[NH3+])c1ncnc2c1C[NH2+]C2 ZINC001157548230 815445063 /nfs/dbraw/zinc/44/50/63/815445063.db2.gz BJRWCEUOXLRNJW-UHFFFAOYSA-N 2 1 279.344 -0.202 20 0 CBADMP CC[N@H+](CC(=O)N1CC([NH2+]C2COC2)C1)C1CC1 ZINC001157601899 815446907 /nfs/dbraw/zinc/44/69/07/815446907.db2.gz CPDORXAVNMNBFM-UHFFFAOYSA-N 2 1 253.346 -0.330 20 0 CBADMP CC[N@@H+](CC(=O)N1CC([NH2+]C2COC2)C1)C1CC1 ZINC001157601899 815446911 /nfs/dbraw/zinc/44/69/11/815446911.db2.gz CPDORXAVNMNBFM-UHFFFAOYSA-N 2 1 253.346 -0.330 20 0 CBADMP CC[NH+]1CC(N2C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC2=O)C1 ZINC001108592099 811459568 /nfs/dbraw/zinc/45/95/68/811459568.db2.gz MIDFPLNBXCXZKE-LBPRGKRZSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[NH+]1CC(N2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC2=O)C1 ZINC001108592099 811459571 /nfs/dbraw/zinc/45/95/71/811459571.db2.gz MIDFPLNBXCXZKE-LBPRGKRZSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[NH+]1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569291 811460079 /nfs/dbraw/zinc/46/00/79/811460079.db2.gz DYDDMJUYUVUSJC-LLVKDONJSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673512 811499302 /nfs/dbraw/zinc/49/93/02/811499302.db2.gz MTJPGLAONGUYMW-AGIUHOORSA-N 2 1 296.415 -0.252 20 0 CBADMP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673512 811499308 /nfs/dbraw/zinc/49/93/08/811499308.db2.gz MTJPGLAONGUYMW-AGIUHOORSA-N 2 1 296.415 -0.252 20 0 CBADMP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109669331 811499470 /nfs/dbraw/zinc/49/94/70/811499470.db2.gz YACPMLGJQGTYGL-WOPDTQHZSA-N 2 1 282.388 -0.594 20 0 CBADMP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109669331 811499474 /nfs/dbraw/zinc/49/94/74/811499474.db2.gz YACPMLGJQGTYGL-WOPDTQHZSA-N 2 1 282.388 -0.594 20 0 CBADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001109980216 811505752 /nfs/dbraw/zinc/50/57/52/811505752.db2.gz LUZOYLDPZJPRQE-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(C)C1CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C1 ZINC001157682004 815453191 /nfs/dbraw/zinc/45/31/91/815453191.db2.gz RFKYJYWUQMLKOZ-LBPRGKRZSA-N 2 1 256.394 -0.182 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(N)=O ZINC001111169294 811542143 /nfs/dbraw/zinc/54/21/43/811542143.db2.gz MIZFPDYKEYECCN-LOWDOPEQSA-N 2 1 296.415 -0.077 20 0 CBADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(N)=O ZINC001111169294 811542150 /nfs/dbraw/zinc/54/21/50/811542150.db2.gz MIZFPDYKEYECCN-LOWDOPEQSA-N 2 1 296.415 -0.077 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(N)=O)C2 ZINC001111952406 811558989 /nfs/dbraw/zinc/55/89/89/811558989.db2.gz GYCKQOLBLOTEFF-WFASDCNBSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(N)=O)C2 ZINC001111952406 811558991 /nfs/dbraw/zinc/55/89/91/811558991.db2.gz GYCKQOLBLOTEFF-WFASDCNBSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(N)=O)C2 ZINC001111952406 811558995 /nfs/dbraw/zinc/55/89/95/811558995.db2.gz GYCKQOLBLOTEFF-WFASDCNBSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001111952406 811558997 /nfs/dbraw/zinc/55/89/97/811558997.db2.gz GYCKQOLBLOTEFF-WFASDCNBSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001157740326 815460290 /nfs/dbraw/zinc/46/02/90/815460290.db2.gz NLKJLLWONDSALT-DGCLKSJQSA-N 2 1 273.352 -0.004 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001157740326 815460292 /nfs/dbraw/zinc/46/02/92/815460292.db2.gz NLKJLLWONDSALT-DGCLKSJQSA-N 2 1 273.352 -0.004 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[NH+](CCCO)CC1 ZINC001113270492 811625827 /nfs/dbraw/zinc/62/58/27/811625827.db2.gz PWYBIFDRSYUCOR-UHFFFAOYSA-N 2 1 257.378 -0.145 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001113275771 811629332 /nfs/dbraw/zinc/62/93/32/811629332.db2.gz YWVCERWJMBPHCR-LBPRGKRZSA-N 2 1 257.378 -0.147 20 0 CBADMP CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157794337 815467089 /nfs/dbraw/zinc/46/70/89/815467089.db2.gz UJPDTSDBOGSUEN-JIMOISOXSA-N 2 1 293.371 -0.347 20 0 CBADMP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccnn32)C[C@@H]1[NH3+] ZINC001157792613 815467441 /nfs/dbraw/zinc/46/74/41/815467441.db2.gz CGLDSUKIUANZHR-ADEWGFFLSA-N 2 1 263.345 -0.277 20 0 CBADMP [NH3+]C[C@]1(F)CCCN(C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC001157753858 815461889 /nfs/dbraw/zinc/46/18/89/815461889.db2.gz GVLNCOQGCJHBQH-AAEUAGOBSA-N 2 1 273.352 -0.268 20 0 CBADMP C[C@@H]1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001157799318 815468595 /nfs/dbraw/zinc/46/85/95/815468595.db2.gz KEBCHYBCQPRSPM-PWSUYJOCSA-N 3 1 254.378 -0.476 20 0 CBADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114353112 811743897 /nfs/dbraw/zinc/74/38/97/811743897.db2.gz MTFCFKFAVGURAU-XQHKEYJVSA-N 2 1 287.379 -0.295 20 0 CBADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114353109 811744138 /nfs/dbraw/zinc/74/41/38/811744138.db2.gz MTFCFKFAVGURAU-QNWHQSFQSA-N 2 1 287.379 -0.295 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114400084 811747271 /nfs/dbraw/zinc/74/72/71/811747271.db2.gz CJWCJJAOKLVVDQ-PJXYFTJBSA-N 2 1 294.399 -0.737 20 0 CBADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114400084 811747280 /nfs/dbraw/zinc/74/72/80/811747280.db2.gz CJWCJJAOKLVVDQ-PJXYFTJBSA-N 2 1 294.399 -0.737 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)[NH+](C)C ZINC001114462789 811749976 /nfs/dbraw/zinc/74/99/76/811749976.db2.gz ACLHIBQXNMTNSG-RQJABVFESA-N 2 1 299.415 -0.618 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001157887184 815477062 /nfs/dbraw/zinc/47/70/62/815477062.db2.gz SCKIZSVLVGQYSA-NWDGAFQWSA-N 2 1 284.404 -0.171 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900879 815479504 /nfs/dbraw/zinc/47/95/04/815479504.db2.gz ULMHRCHYVDHXLL-SFYZADRCSA-N 2 1 251.277 -0.861 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001157905575 815480131 /nfs/dbraw/zinc/48/01/31/815480131.db2.gz VPIMOIYPOODQOM-HRDYMLBCSA-N 2 1 283.294 -0.176 20 0 CBADMP [NH3+]Cc1ncn(-c2ccc(OC3CC[NH2+]CC3)nn2)n1 ZINC001157931421 815484578 /nfs/dbraw/zinc/48/45/78/815484578.db2.gz LMQFJNBYLNHEIL-UHFFFAOYSA-N 2 1 275.316 -0.353 20 0 CBADMP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158036858 815500227 /nfs/dbraw/zinc/50/02/27/815500227.db2.gz FQNJDBXYOLAIFT-NEPJUHHUSA-N 2 1 282.388 -0.558 20 0 CBADMP 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 812156449 /nfs/dbraw/zinc/15/64/49/812156449.db2.gz FMADRJRNPZKHGQ-NDBYEHHHSA-N 2 1 281.400 -0.245 20 0 CBADMP COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750177 812156500 /nfs/dbraw/zinc/15/65/00/812156500.db2.gz CHJZPGYAYBZEQD-CXTNEJHOSA-N 2 1 299.415 -0.618 20 0 CBADMP Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)cn1 ZINC001114774714 812159064 /nfs/dbraw/zinc/15/90/64/812159064.db2.gz SSGWKOGLBGNKPE-NHAGDIPZSA-N 2 1 291.399 -0.082 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21)[NH+](C)C ZINC001114846315 812165050 /nfs/dbraw/zinc/16/50/50/812165050.db2.gz IJEXOWSPJDAIOD-SRRSOLGSSA-N 2 1 282.388 -0.881 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21)[NH+](C)C ZINC001114846315 812165056 /nfs/dbraw/zinc/16/50/56/812165056.db2.gz IJEXOWSPJDAIOD-SRRSOLGSSA-N 2 1 282.388 -0.881 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115081003 812178352 /nfs/dbraw/zinc/17/83/52/812178352.db2.gz JHIYEJOCFIBHDO-DCQANWLSSA-N 2 1 282.388 -0.752 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115081003 812178357 /nfs/dbraw/zinc/17/83/57/812178357.db2.gz JHIYEJOCFIBHDO-DCQANWLSSA-N 2 1 282.388 -0.752 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115081003 812178362 /nfs/dbraw/zinc/17/83/62/812178362.db2.gz JHIYEJOCFIBHDO-DCQANWLSSA-N 2 1 282.388 -0.752 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115081003 812178368 /nfs/dbraw/zinc/17/83/68/812178368.db2.gz JHIYEJOCFIBHDO-DCQANWLSSA-N 2 1 282.388 -0.752 20 0 CBADMP 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 812183144 /nfs/dbraw/zinc/18/31/44/812183144.db2.gz OLCGCEDIJPJTRI-CIQGVGRVSA-N 2 1 296.415 -0.491 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001115161873 812183150 /nfs/dbraw/zinc/18/31/50/812183150.db2.gz OLCGCEDIJPJTRI-CIQGVGRVSA-N 2 1 296.415 -0.491 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001115161873 812183155 /nfs/dbraw/zinc/18/31/55/812183155.db2.gz OLCGCEDIJPJTRI-CIQGVGRVSA-N 2 1 296.415 -0.491 20 0 CBADMP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115242087 812187098 /nfs/dbraw/zinc/18/70/98/812187098.db2.gz VEQRSDVGHLHEOV-CIQGVGRVSA-N 2 1 294.399 -0.879 20 0 CBADMP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115242087 812187100 /nfs/dbraw/zinc/18/71/00/812187100.db2.gz VEQRSDVGHLHEOV-CIQGVGRVSA-N 2 1 294.399 -0.879 20 0 CBADMP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001115242087 812187106 /nfs/dbraw/zinc/18/71/06/812187106.db2.gz VEQRSDVGHLHEOV-CIQGVGRVSA-N 2 1 294.399 -0.879 20 0 CBADMP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001115242087 812187110 /nfs/dbraw/zinc/18/71/10/812187110.db2.gz VEQRSDVGHLHEOV-CIQGVGRVSA-N 2 1 294.399 -0.879 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC2CC1(C[NH3+])C2 ZINC001158187472 815510386 /nfs/dbraw/zinc/51/03/86/815510386.db2.gz RGKLPKUBODOIQK-XEVUQIKYSA-N 2 1 255.318 -0.783 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001158186915 815510513 /nfs/dbraw/zinc/51/05/13/815510513.db2.gz IQNJVMBSIZZYNG-WOPDTQHZSA-N 2 1 288.351 -0.143 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001158403275 815526632 /nfs/dbraw/zinc/52/66/32/815526632.db2.gz CHLALSFCFVHCKZ-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)C[C@H](O)C[NH3+])CC2 ZINC001158338648 815521314 /nfs/dbraw/zinc/52/13/14/815521314.db2.gz DQPLQZUNPVMGQJ-VIFPVBQESA-N 2 1 252.318 -0.645 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158337538 815521808 /nfs/dbraw/zinc/52/18/08/815521808.db2.gz XADMYYRNTMSOPU-MELADBBJSA-N 3 1 274.368 -0.240 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CCCCS(N)(=O)=O)C1CC1 ZINC001118089914 812469978 /nfs/dbraw/zinc/46/99/78/812469978.db2.gz BXWYFVWFFCCPEY-NSHDSACASA-N 2 1 279.406 -0.900 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCCS(N)(=O)=O)C1CC1 ZINC001118089914 812469984 /nfs/dbraw/zinc/46/99/84/812469984.db2.gz BXWYFVWFFCCPEY-NSHDSACASA-N 2 1 279.406 -0.900 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158422731 815528135 /nfs/dbraw/zinc/52/81/35/815528135.db2.gz LFTRZHKZSLASLX-GUBZILKMSA-N 2 1 255.318 -0.770 20 0 CBADMP C[C@H](C[NH3+])C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001118190115 812488162 /nfs/dbraw/zinc/48/81/62/812488162.db2.gz RDLHKQFCYYRNGV-GFCCVEGCSA-N 2 1 256.394 -0.275 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC001118189016 812488710 /nfs/dbraw/zinc/48/87/10/812488710.db2.gz GPBQAVLFFJILFD-AWEZNQCLSA-N 2 1 298.431 -0.491 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C2([NH3+])CC2)CC1 ZINC001118219193 812498891 /nfs/dbraw/zinc/49/88/91/812498891.db2.gz SPTMBJJHYYZGNM-UHFFFAOYSA-N 2 1 268.361 -0.854 20 0 CBADMP [NH3+]Cc1nc(C(=O)NC[C@H]2C[NH2+]CCO2)cs1 ZINC001118218538 812499489 /nfs/dbraw/zinc/49/94/89/812499489.db2.gz LDVFNQQNEWKJIP-SSDOTTSWSA-N 2 1 256.331 -0.680 20 0 CBADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC[NH2+]CC1 ZINC001118242461 812505168 /nfs/dbraw/zinc/50/51/68/812505168.db2.gz ZYAKEHWDRKTTQQ-LBPRGKRZSA-N 3 1 268.405 -0.133 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001118315317 812527549 /nfs/dbraw/zinc/52/75/49/812527549.db2.gz PTTRTHBPWYZOSV-CQSZACIVSA-N 2 1 269.389 -0.053 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CSC[NH2+]1 ZINC001158496435 815535608 /nfs/dbraw/zinc/53/56/08/815535608.db2.gz NCSFBQSAHWGVCE-XWLWVQCSSA-N 2 1 299.396 -0.599 20 0 CBADMP CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001158523856 815536164 /nfs/dbraw/zinc/53/61/64/815536164.db2.gz JUUDBIBCODTADW-XHDPSFHLSA-N 2 1 295.383 -0.118 20 0 CBADMP CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158505307 815536224 /nfs/dbraw/zinc/53/62/24/815536224.db2.gz AMCZZLGBXYNGOU-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP C[NH2+]C[C@@](C)(O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118505414 812560442 /nfs/dbraw/zinc/56/04/42/812560442.db2.gz FANJEEBKIZOBOL-CHWSQXEVSA-N 2 1 257.378 -0.637 20 0 CBADMP O=C(NCCC[NH2+]CCF)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158507053 815536796 /nfs/dbraw/zinc/53/67/96/815536796.db2.gz OWJURANOKPJSIG-RYUDHWBXSA-N 2 1 273.352 -0.085 20 0 CBADMP CN1CCC[C@@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC001118507146 812563808 /nfs/dbraw/zinc/56/38/08/812563808.db2.gz VVUWZIOWNIPWNR-CHWSQXEVSA-N 2 1 266.389 -0.413 20 0 CBADMP c1cn(C[C@@H]2CC[N@H+](CCN3CC[NH2+]CC3)C2)nn1 ZINC001118568928 812577458 /nfs/dbraw/zinc/57/74/58/812577458.db2.gz KERLVBYJHNYJHJ-CYBMUJFWSA-N 2 1 264.377 -0.495 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001118572989 812580158 /nfs/dbraw/zinc/58/01/58/812580158.db2.gz ZDGCXRQQOPLQMG-UONOGXRCSA-N 2 1 298.431 -0.506 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC001118572987 812580958 /nfs/dbraw/zinc/58/09/58/812580958.db2.gz ZDGCXRQQOPLQMG-KGLIPLIRSA-N 2 1 298.431 -0.506 20 0 CBADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001158626070 815540447 /nfs/dbraw/zinc/54/04/47/815540447.db2.gz DDRUVLUEFVHVQO-LOWVWBTDSA-N 3 1 268.405 -0.136 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001158626070 815540451 /nfs/dbraw/zinc/54/04/51/815540451.db2.gz DDRUVLUEFVHVQO-LOWVWBTDSA-N 3 1 268.405 -0.136 20 0 CBADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001158626116 815541128 /nfs/dbraw/zinc/54/11/28/815541128.db2.gz DXSBWHOPBCQSSQ-FMCLSXCISA-N 2 1 266.389 -0.511 20 0 CBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001158626116 815541132 /nfs/dbraw/zinc/54/11/32/815541132.db2.gz DXSBWHOPBCQSSQ-FMCLSXCISA-N 2 1 266.389 -0.511 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC1CC[NH2+]CC1 ZINC001118862659 812644396 /nfs/dbraw/zinc/64/43/96/812644396.db2.gz UIAGUYDXSRBAFV-NSHDSACASA-N 2 1 256.350 -0.896 20 0 CBADMP OC[C@@H]1CCC[N@@H+]1Cc1cn(CC2C[NH2+]C2)nn1 ZINC001118917715 812661768 /nfs/dbraw/zinc/66/17/68/812661768.db2.gz NOCIBTARUVFFMY-LBPRGKRZSA-N 2 1 251.334 -0.546 20 0 CBADMP OC[C@@H]1CCC[N@H+]1Cc1cn(CC2C[NH2+]C2)nn1 ZINC001118917715 812661773 /nfs/dbraw/zinc/66/17/73/812661773.db2.gz NOCIBTARUVFFMY-LBPRGKRZSA-N 2 1 251.334 -0.546 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001118932669 812668505 /nfs/dbraw/zinc/66/85/05/812668505.db2.gz RVHBECWIBAHLBN-NEPJUHHUSA-N 2 1 280.372 -0.839 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001118964046 812678038 /nfs/dbraw/zinc/67/80/38/812678038.db2.gz XOWDRZCGEJKZHO-RYUDHWBXSA-N 2 1 282.388 -0.511 20 0 CBADMP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001119067815 812704529 /nfs/dbraw/zinc/70/45/29/812704529.db2.gz OTEKATOBWKOGAZ-SDDRHHMPSA-N 2 1 253.346 -0.567 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001119067815 812704533 /nfs/dbraw/zinc/70/45/33/812704533.db2.gz OTEKATOBWKOGAZ-SDDRHHMPSA-N 2 1 253.346 -0.567 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC001119296524 812745294 /nfs/dbraw/zinc/74/52/94/812745294.db2.gz VBFRVVFQYRIXGJ-OLZOCXBDSA-N 2 1 286.395 -0.312 20 0 CBADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001119351444 812762439 /nfs/dbraw/zinc/76/24/39/812762439.db2.gz VSUGIVRDMMYYMR-NSHDSACASA-N 2 1 295.387 -0.059 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)C1CC1 ZINC001119355890 812765464 /nfs/dbraw/zinc/76/54/64/812765464.db2.gz ZRSDJBKAJZXSAE-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001119367888 812768464 /nfs/dbraw/zinc/76/84/64/812768464.db2.gz AJKADXQFMMNJON-UPJWGTAASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC[N@H+]1C ZINC001119407222 812777261 /nfs/dbraw/zinc/77/72/61/812777261.db2.gz GLLFUEDLEOXWLW-RWMBFGLXSA-N 2 1 296.415 -0.075 20 0 CBADMP CC(C)([NH3+])CCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001119422260 812781046 /nfs/dbraw/zinc/78/10/46/812781046.db2.gz YVSDAKGETVMNJV-JTQLQIEISA-N 2 1 258.366 -0.520 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC[N@@H+]1C ZINC001119423865 812781910 /nfs/dbraw/zinc/78/19/10/812781910.db2.gz QBYZVCAXUNDYFH-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC[N@H+]1C ZINC001119423865 812781914 /nfs/dbraw/zinc/78/19/14/812781914.db2.gz QBYZVCAXUNDYFH-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC001119501717 812794681 /nfs/dbraw/zinc/79/46/81/812794681.db2.gz DACXCDBPVIYXGY-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2COC[NH2+]2)C1 ZINC001159134820 815561307 /nfs/dbraw/zinc/56/13/07/815561307.db2.gz PVQLSNCFYRNNMT-NEPJUHHUSA-N 2 1 293.371 -0.651 20 0 CBADMP O[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1(O)CCOCC1 ZINC001119746339 812881709 /nfs/dbraw/zinc/88/17/09/812881709.db2.gz MLFLTHSOHXIHCC-TUAOUCFPSA-N 2 1 256.346 -0.960 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC001119801120 812887870 /nfs/dbraw/zinc/88/78/70/812887870.db2.gz LFDUCMTUPBWTDS-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC001119801120 812887875 /nfs/dbraw/zinc/88/78/75/812887875.db2.gz LFDUCMTUPBWTDS-UPJWGTAASA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC001119801121 812888310 /nfs/dbraw/zinc/88/83/10/812888310.db2.gz LFDUCMTUPBWTDS-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC001119801121 812888320 /nfs/dbraw/zinc/88/83/20/812888320.db2.gz LFDUCMTUPBWTDS-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)C(C)(C)C[NH+](C)C ZINC001119834466 812893094 /nfs/dbraw/zinc/89/30/94/812893094.db2.gz MWCFPRTXLCADON-RYUDHWBXSA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C(C)(C)C[NH+](C)C ZINC001119834466 812893103 /nfs/dbraw/zinc/89/31/03/812893103.db2.gz MWCFPRTXLCADON-RYUDHWBXSA-N 2 1 298.431 -0.101 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CCCCC2)C1 ZINC001120130063 812934800 /nfs/dbraw/zinc/93/48/00/812934800.db2.gz UCZBLYMSBOTPMR-GFCCVEGCSA-N 2 1 296.415 -0.168 20 0 CBADMP C(c1nc2c(s1)C[NH2+]CC2)N1CCNCC[NH2+]CC1 ZINC001120269081 812945249 /nfs/dbraw/zinc/94/52/49/812945249.db2.gz MSRIJHBGTSAALA-UHFFFAOYSA-N 2 1 281.429 -0.216 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@H]1CNC(=O)C1)C1CC1 ZINC001120277616 812946889 /nfs/dbraw/zinc/94/68/89/812946889.db2.gz LCTSQUKYLQIKIE-PWSUYJOCSA-N 2 1 255.362 -0.443 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@H]1CNC(=O)C1)C1CC1 ZINC001120277616 812946894 /nfs/dbraw/zinc/94/68/94/812946894.db2.gz LCTSQUKYLQIKIE-PWSUYJOCSA-N 2 1 255.362 -0.443 20 0 CBADMP O=C1CCC(=O)N1CC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC001120364439 812954173 /nfs/dbraw/zinc/95/41/73/812954173.db2.gz WUMRCQROMAVHEU-UHFFFAOYSA-N 2 1 295.383 -0.020 20 0 CBADMP O=C1CCC(=O)N1CC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC001120364439 812954178 /nfs/dbraw/zinc/95/41/78/812954178.db2.gz WUMRCQROMAVHEU-UHFFFAOYSA-N 2 1 295.383 -0.020 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001120437353 812965785 /nfs/dbraw/zinc/96/57/85/812965785.db2.gz CLEPEDHFJOINCH-FRRDWIJNSA-N 2 1 294.399 -0.593 20 0 CBADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001120480732 812972907 /nfs/dbraw/zinc/97/29/07/812972907.db2.gz BQTVFMYCCOXZMQ-CABCVRRESA-N 3 1 284.448 -0.474 20 0 CBADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001120523620 812982525 /nfs/dbraw/zinc/98/25/25/812982525.db2.gz KQHIYVPTQIUHTG-IJLUTSLNSA-N 2 1 294.399 -0.560 20 0 CBADMP N[C@@H](C[NH3+])C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291443 815567619 /nfs/dbraw/zinc/56/76/19/815567619.db2.gz PGXZQAVWWKFUEB-NSHDSACASA-N 2 1 252.362 -0.783 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291437 815567706 /nfs/dbraw/zinc/56/77/06/815567706.db2.gz OWOOAQRNWQBXFL-ZDUSSCGKSA-N 2 1 279.384 -0.081 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291437 815567710 /nfs/dbraw/zinc/56/77/10/815567710.db2.gz OWOOAQRNWQBXFL-ZDUSSCGKSA-N 2 1 279.384 -0.081 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)NCCCCC[NH+]1CCNCC1 ZINC001120543764 812988012 /nfs/dbraw/zinc/98/80/12/812988012.db2.gz HIJSUJVNCIPOMI-LBPRGKRZSA-N 2 1 271.409 -0.292 20 0 CBADMP N[C@]1(C(=O)N2CC3(C2)CC[N@@H+](CC2CC2)C3)CC[NH2+]C1 ZINC001159291611 815567877 /nfs/dbraw/zinc/56/78/77/815567877.db2.gz QYYLGTVSNXZNNY-OAHLLOKOSA-N 2 1 278.400 -0.379 20 0 CBADMP [NH3+]CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001120625501 813001518 /nfs/dbraw/zinc/00/15/18/813001518.db2.gz JMOSPLLVZPSPAK-VXGBXAGGSA-N 2 1 270.377 -0.424 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC001121810420 813077698 /nfs/dbraw/zinc/07/76/98/813077698.db2.gz JEMOPWKOZVSROB-IJLUTSLNSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@](C[NH3+])(NC(=O)C[NH+]1CCC(CO)CC1)C1CC1 ZINC001121898374 813086033 /nfs/dbraw/zinc/08/60/33/813086033.db2.gz XNTGSPLFWWLUCH-CQSZACIVSA-N 2 1 269.389 -0.066 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001121909459 813089121 /nfs/dbraw/zinc/08/91/21/813089121.db2.gz RQGCWWYJVZUAGN-NWDGAFQWSA-N 2 1 282.388 -0.748 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001121909456 813089311 /nfs/dbraw/zinc/08/93/11/813089311.db2.gz RQAIWXSRVJLBCJ-ZBOXLXRLSA-N 2 1 255.362 -0.456 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)C(C)C ZINC001121917806 813089838 /nfs/dbraw/zinc/08/98/38/813089838.db2.gz ZBCBYPJOOWFWEK-YPMHNXCESA-N 2 1 257.378 -0.054 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)C1CC([NH3+])C1 ZINC001121943608 813094690 /nfs/dbraw/zinc/09/46/90/813094690.db2.gz KSNQBGARYSGLLI-WNYYMSAVSA-N 2 1 252.362 -0.677 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)C1CC([NH3+])C1 ZINC001121943609 813095349 /nfs/dbraw/zinc/09/53/49/813095349.db2.gz KSNQBGARYSGLLI-XKGSQUFQSA-N 2 1 252.362 -0.677 20 0 CBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C2(C[NH3+])CC(O)C2)C1 ZINC001121990091 813100964 /nfs/dbraw/zinc/10/09/64/813100964.db2.gz ZGLNTKMROYFNSM-LKSINWNRSA-N 2 1 269.389 -0.067 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)C12CC(C1)C[NH2+]2 ZINC001121991245 813101858 /nfs/dbraw/zinc/10/18/58/813101858.db2.gz OMYGECDJHULSHJ-UHFFFAOYSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001122023197 813106460 /nfs/dbraw/zinc/10/64/60/813106460.db2.gz KYCJPKHOGDOUIW-BDAKNGLRSA-N 2 1 251.334 -0.158 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC2CC1(C[NH3+])C2 ZINC001122067721 813111979 /nfs/dbraw/zinc/11/19/79/813111979.db2.gz APWSWOSQVPMVFQ-WDBLDGLGSA-N 2 1 264.373 -0.676 20 0 CBADMP C[NH+](C)[C@@H](C(=O)NC[C@H](O)C[NH3+])c1ccccc1 ZINC001122073579 813112741 /nfs/dbraw/zinc/11/27/41/813112741.db2.gz QEJWYMKQCOAXJO-VXGBXAGGSA-N 2 1 251.330 -0.275 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001122075297 813112792 /nfs/dbraw/zinc/11/27/92/813112792.db2.gz KHMJRSAMRCMJKP-DMDPSCGWSA-N 2 1 255.362 -0.300 20 0 CBADMP C[C@@H]([NH3+])CONC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC001122074792 813112877 /nfs/dbraw/zinc/11/28/77/813112877.db2.gz DLRWBGHGKRAFNK-LLVKDONJSA-N 2 1 293.371 -0.158 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC001122079897 813114181 /nfs/dbraw/zinc/11/41/81/813114181.db2.gz TXVXWXZLHBACRE-MDZLAQPJSA-N 2 1 252.362 -0.757 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC001122079900 813114703 /nfs/dbraw/zinc/11/47/03/813114703.db2.gz TXVXWXZLHBACRE-WZRBSPASSA-N 2 1 252.362 -0.757 20 0 CBADMP [NH3+]CCNCC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001122079505 813114852 /nfs/dbraw/zinc/11/48/52/813114852.db2.gz OCZGXGVUMWVTHF-CYBMUJFWSA-N 2 1 268.405 -0.227 20 0 CBADMP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001122144153 813123614 /nfs/dbraw/zinc/12/36/14/813123614.db2.gz VJWITJPPHLXYRA-OFIBSPLFSA-N 2 1 269.389 -0.056 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@H](O)C[NH3+] ZINC001122339808 813149247 /nfs/dbraw/zinc/14/92/47/813149247.db2.gz HHFQIAAHKXTUCY-NEPJUHHUSA-N 2 1 257.378 -0.115 20 0 CBADMP [NH3+]CC[C@@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC001122205267 813133288 /nfs/dbraw/zinc/13/32/88/813133288.db2.gz DTFCYKIQQUBMGR-SECBINFHSA-N 2 1 263.345 -0.134 20 0 CBADMP C[C@H](C(=O)N1C[C@H]([NH3+])C(C)(C)C1)N1CC[NH+](C)CC1 ZINC001122244938 813137010 /nfs/dbraw/zinc/13/70/10/813137010.db2.gz BFLJOXGOXUEWCQ-NEPJUHHUSA-N 2 1 268.405 -0.182 20 0 CBADMP CN1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC[N@@H+](C)CC1 ZINC001122291347 813141101 /nfs/dbraw/zinc/14/11/01/813141101.db2.gz RFCFYTFMFWJIGT-HNNXBMFYSA-N 2 1 298.431 -0.803 20 0 CBADMP CC(C)([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001122442412 813165407 /nfs/dbraw/zinc/16/54/07/813165407.db2.gz OVPKVAOJWCUIJE-WDEREUQCSA-N 2 1 255.362 -0.219 20 0 CBADMP C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)[C@H]1C[N@@H+](C)CCN1C ZINC001122447913 813165807 /nfs/dbraw/zinc/16/58/07/813165807.db2.gz HZYPOPWYNFXXEW-UHTWSYAYSA-N 2 1 268.405 -0.136 20 0 CBADMP O=C([C@H]1CC[NH2+]1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001122535761 813174314 /nfs/dbraw/zinc/17/43/14/813174314.db2.gz HGMUJJUOBVVYPL-GRYCIOLGSA-N 2 1 253.346 -0.594 20 0 CBADMP C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC001122540105 813174618 /nfs/dbraw/zinc/17/46/18/813174618.db2.gz AQRVWEKPNBVLCM-SRVKXCTJSA-N 2 1 268.405 -0.265 20 0 CBADMP C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC001122540103 813174863 /nfs/dbraw/zinc/17/48/63/813174863.db2.gz AQRVWEKPNBVLCM-SDDRHHMPSA-N 2 1 268.405 -0.265 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC001122567169 813176723 /nfs/dbraw/zinc/17/67/23/813176723.db2.gz RKEHPJHCGBJZII-WHOHXGKFSA-N 2 1 253.346 -0.617 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC001122567169 813176724 /nfs/dbraw/zinc/17/67/24/813176724.db2.gz RKEHPJHCGBJZII-WHOHXGKFSA-N 2 1 253.346 -0.617 20 0 CBADMP Cc1cnc(N[C@H](N)CCC[NH3+])nc1C1C[NH2+]C1 ZINC001159788113 815596590 /nfs/dbraw/zinc/59/65/90/815596590.db2.gz HMBWBAQMVUEPCD-JTQLQIEISA-N 2 1 250.350 -0.093 20 0 CBADMP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159877095 815602528 /nfs/dbraw/zinc/60/25/28/815602528.db2.gz NIIOVKSAVXVJHI-OLZOCXBDSA-N 2 1 297.403 -0.710 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001123658653 813256937 /nfs/dbraw/zinc/25/69/37/813256937.db2.gz RPBYQGYOTHHJLD-AGIUHOORSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001123878686 813285708 /nfs/dbraw/zinc/28/57/08/813285708.db2.gz ZQEFHJFRTOLGRT-TUAOUCFPSA-N 2 1 254.378 -0.559 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001124838265 813485063 /nfs/dbraw/zinc/48/50/63/813485063.db2.gz UTTJZXHTQOBFFL-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124836391 813485465 /nfs/dbraw/zinc/48/54/65/813485465.db2.gz GIMQGOGSAPXGLW-JTQLQIEISA-N 2 1 266.349 -0.885 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124836391 813485472 /nfs/dbraw/zinc/48/54/72/813485472.db2.gz GIMQGOGSAPXGLW-JTQLQIEISA-N 2 1 266.349 -0.885 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001124866583 813489105 /nfs/dbraw/zinc/48/91/05/813489105.db2.gz GKDIGTXLDWCGDV-ZIAGYGMSSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001124867018 813490186 /nfs/dbraw/zinc/49/01/86/813490186.db2.gz PZUKSCVJTUYLIW-UONOGXRCSA-N 2 1 299.415 -0.018 20 0 CBADMP CCCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124872832 813491822 /nfs/dbraw/zinc/49/18/22/813491822.db2.gz NQBKJHVIAOKNCF-LBPRGKRZSA-N 2 1 294.403 -0.012 20 0 CBADMP CCCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124872832 813491827 /nfs/dbraw/zinc/49/18/27/813491827.db2.gz NQBKJHVIAOKNCF-LBPRGKRZSA-N 2 1 294.403 -0.012 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001124873585 813493423 /nfs/dbraw/zinc/49/34/23/813493423.db2.gz ZFHOTOCFYBLFLW-WDEREUQCSA-N 2 1 268.361 -0.935 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)c1nncn1C ZINC001124877153 813493540 /nfs/dbraw/zinc/49/35/40/813493540.db2.gz CQVYTYAHOSTPQU-QWRGUYRKSA-N 2 1 280.376 -0.324 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)c1nncn1C ZINC001124877153 813493541 /nfs/dbraw/zinc/49/35/41/813493541.db2.gz CQVYTYAHOSTPQU-QWRGUYRKSA-N 2 1 280.376 -0.324 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001124878761 813493874 /nfs/dbraw/zinc/49/38/74/813493874.db2.gz OIDLNAFMAQKMRR-LLVKDONJSA-N 2 1 266.349 -0.922 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124877730 813494327 /nfs/dbraw/zinc/49/43/27/813494327.db2.gz IJZCCNJEYPAQKD-GFCCVEGCSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001124877052 813494392 /nfs/dbraw/zinc/49/43/92/813494392.db2.gz BBKHXRVFIDZGCS-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001124877049 813495105 /nfs/dbraw/zinc/49/51/05/813495105.db2.gz BBKHXRVFIDZGCS-GHMZBOCLSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001124877050 813495118 /nfs/dbraw/zinc/49/51/18/813495118.db2.gz BBKHXRVFIDZGCS-MNOVXSKESA-N 2 1 270.377 -0.737 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124877590 813495134 /nfs/dbraw/zinc/49/51/34/813495134.db2.gz GZVPTUGKJGDGMJ-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP COc1cncc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001124879529 813495412 /nfs/dbraw/zinc/49/54/12/813495412.db2.gz VPEDAAXPSWAWKH-LBPRGKRZSA-N 2 1 293.371 -0.215 20 0 CBADMP C[C@@H](F)CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125219745 813532639 /nfs/dbraw/zinc/53/26/39/813532639.db2.gz AZWCAZLBAKUQLP-GHMZBOCLSA-N 2 1 261.341 -0.229 20 0 CBADMP C[C@@H](F)CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125219745 813532645 /nfs/dbraw/zinc/53/26/45/813532645.db2.gz AZWCAZLBAKUQLP-GHMZBOCLSA-N 2 1 261.341 -0.229 20 0 CBADMP CCO[C@@H](C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001125219763 813532161 /nfs/dbraw/zinc/53/21/61/813532161.db2.gz BJXBNAVXHLGWQC-KBPBESRZSA-N 2 1 299.415 -0.162 20 0 CBADMP CCO[C@@H](C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001125219763 813532165 /nfs/dbraw/zinc/53/21/65/813532165.db2.gz BJXBNAVXHLGWQC-KBPBESRZSA-N 2 1 299.415 -0.162 20 0 CBADMP Cc1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)s1 ZINC001125214163 813532296 /nfs/dbraw/zinc/53/22/96/813532296.db2.gz QILISGGAPHSHMP-LBPRGKRZSA-N 2 1 298.412 -0.012 20 0 CBADMP Cc1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC001125214163 813532300 /nfs/dbraw/zinc/53/23/00/813532300.db2.gz QILISGGAPHSHMP-LBPRGKRZSA-N 2 1 298.412 -0.012 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCC[C@H]2CCOC2)C1 ZINC001125220424 813533291 /nfs/dbraw/zinc/53/32/91/813533291.db2.gz HSFRRHWLVFOUFV-UONOGXRCSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCC[C@H]2CCOC2)C1 ZINC001125220424 813533298 /nfs/dbraw/zinc/53/32/98/813533298.db2.gz HSFRRHWLVFOUFV-UONOGXRCSA-N 2 1 299.415 -0.161 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC001125220573 813535615 /nfs/dbraw/zinc/53/56/15/813535615.db2.gz JMBODSPLQNKCCV-STQMWFEESA-N 2 1 299.415 -0.162 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC001125220573 813535618 /nfs/dbraw/zinc/53/56/18/813535618.db2.gz JMBODSPLQNKCCV-STQMWFEESA-N 2 1 299.415 -0.162 20 0 CBADMP COCCCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125221496 813536962 /nfs/dbraw/zinc/53/69/62/813536962.db2.gz QQSOZTSAWJEQJJ-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP COCCCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125221496 813536966 /nfs/dbraw/zinc/53/69/66/813536966.db2.gz QQSOZTSAWJEQJJ-ZDUSSCGKSA-N 2 1 287.404 -0.161 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001125222831 813537022 /nfs/dbraw/zinc/53/70/22/813537022.db2.gz XMQWKDNPNNRTGG-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001125222831 813537031 /nfs/dbraw/zinc/53/70/31/813537031.db2.gz XMQWKDNPNNRTGG-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP CC(C)COCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125223231 813537769 /nfs/dbraw/zinc/53/77/69/813537769.db2.gz ZJVWDEKFLWIZDP-CYBMUJFWSA-N 2 1 287.404 -0.305 20 0 CBADMP CC(C)COCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125223231 813537774 /nfs/dbraw/zinc/53/77/74/813537774.db2.gz ZJVWDEKFLWIZDP-CYBMUJFWSA-N 2 1 287.404 -0.305 20 0 CBADMP CCOCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125227215 813538281 /nfs/dbraw/zinc/53/82/81/813538281.db2.gz OPFIFSTWUXHTBD-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP CCOCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125227215 813538286 /nfs/dbraw/zinc/53/82/86/813538286.db2.gz OPFIFSTWUXHTBD-LBPRGKRZSA-N 2 1 273.377 -0.551 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOCC2CC2)C1 ZINC001125227798 813539034 /nfs/dbraw/zinc/53/90/34/813539034.db2.gz ZFENIGRTNTUAPP-CYBMUJFWSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOCC2CC2)C1 ZINC001125227798 813539039 /nfs/dbraw/zinc/53/90/39/813539039.db2.gz ZFENIGRTNTUAPP-CYBMUJFWSA-N 2 1 285.388 -0.551 20 0 CBADMP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125226836 813539230 /nfs/dbraw/zinc/53/92/30/813539230.db2.gz IILBWNITSTTWNY-MNOVXSKESA-N 2 1 259.350 -0.942 20 0 CBADMP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125226836 813539237 /nfs/dbraw/zinc/53/92/37/813539237.db2.gz IILBWNITSTTWNY-MNOVXSKESA-N 2 1 259.350 -0.942 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001127065846 813709099 /nfs/dbraw/zinc/70/90/99/813709099.db2.gz FYETYRJCVMRYEL-OLZOCXBDSA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001127067497 813709488 /nfs/dbraw/zinc/70/94/88/813709488.db2.gz YKUNCVFCBGPCHK-ZDUSSCGKSA-N 2 1 294.403 -0.106 20 0 CBADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127065680 813710082 /nfs/dbraw/zinc/71/00/82/813710082.db2.gz CWTIHIRIXRCMTE-OLZOCXBDSA-N 2 1 287.404 -0.428 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001127082560 813712108 /nfs/dbraw/zinc/71/21/08/813712108.db2.gz UYEGNLNFDAJZRH-CHWSQXEVSA-N 2 1 296.415 -0.204 20 0 CBADMP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)[nH]1 ZINC001127480795 813733111 /nfs/dbraw/zinc/73/31/11/813733111.db2.gz MDLQMZRXOXPOIU-GFCCVEGCSA-N 2 1 292.387 -0.339 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001127643797 813738506 /nfs/dbraw/zinc/73/85/06/813738506.db2.gz LOVBLTYOBYXGHT-IJLUTSLNSA-N 2 1 284.404 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001127639053 813738653 /nfs/dbraw/zinc/73/86/53/813738653.db2.gz SPGBAPZWYCUEOQ-IJLUTSLNSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)CC[N@H+]1C ZINC001127638611 813740248 /nfs/dbraw/zinc/74/02/48/813740248.db2.gz NKJPRIZYBOLPCX-VXGBXAGGSA-N 2 1 297.403 -0.942 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127689915 813741227 /nfs/dbraw/zinc/74/12/27/813741227.db2.gz BMNXSWKXSIIBOH-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)CC[N@H+]1C ZINC001127701469 813742615 /nfs/dbraw/zinc/74/26/15/813742615.db2.gz PPFOYHNTCAMNJP-RWMBFGLXSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001127653373 813742688 /nfs/dbraw/zinc/74/26/88/813742688.db2.gz UPPXIUJZIOFPBA-NQBHXWOUSA-N 2 1 296.415 -0.301 20 0 CBADMP CC(C)[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127760109 813746802 /nfs/dbraw/zinc/74/68/02/813746802.db2.gz DJFPPVMCYDIFHM-VXGBXAGGSA-N 2 1 255.362 -0.036 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H](CC)C(N)=O ZINC001128784098 813798757 /nfs/dbraw/zinc/79/87/57/813798757.db2.gz LDSLVGUGCSQKOD-NWDGAFQWSA-N 2 1 284.404 -0.170 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCOCCO ZINC001128786813 813799246 /nfs/dbraw/zinc/79/92/46/813799246.db2.gz WIAHGWWBGYIKJF-CYBMUJFWSA-N 2 1 287.404 -0.425 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCO ZINC001128787247 813799399 /nfs/dbraw/zinc/79/93/99/813799399.db2.gz XRTKJFZMTDFADV-LBPRGKRZSA-N 2 1 257.378 -0.051 20 0 CBADMP CC(C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219877 813825473 /nfs/dbraw/zinc/82/54/73/813825473.db2.gz LTOMNGJSOYUQTH-OLZOCXBDSA-N 2 1 294.403 -0.020 20 0 CBADMP COC[C@H](C)[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129386043 813838844 /nfs/dbraw/zinc/83/88/44/813838844.db2.gz JHJCNGSYFIOMTC-STQMWFEESA-N 2 1 297.403 -0.446 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC)C[C@@H]1n1ccnn1 ZINC001129369939 813839834 /nfs/dbraw/zinc/83/98/34/813839834.db2.gz KMETUZCRUBLWQS-OLZOCXBDSA-N 2 1 294.403 -0.019 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC)C[C@@H]1n1ccnn1 ZINC001129369939 813839838 /nfs/dbraw/zinc/83/98/38/813839838.db2.gz KMETUZCRUBLWQS-OLZOCXBDSA-N 2 1 294.403 -0.019 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1n1ccnn1 ZINC001129369939 813839846 /nfs/dbraw/zinc/83/98/46/813839846.db2.gz KMETUZCRUBLWQS-OLZOCXBDSA-N 2 1 294.403 -0.019 20 0 CBADMP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129386446 813839885 /nfs/dbraw/zinc/83/98/85/813839885.db2.gz LGRRBYYGEYVCIT-QWHCGFSZSA-N 2 1 297.403 -0.446 20 0 CBADMP COC[C@@H](C)[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129386038 813840027 /nfs/dbraw/zinc/84/00/27/813840027.db2.gz JHJCNGSYFIOMTC-OLZOCXBDSA-N 2 1 297.403 -0.446 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129421786 813841451 /nfs/dbraw/zinc/84/14/51/813841451.db2.gz CLTFNEDHODUGFU-GHMZBOCLSA-N 2 1 293.371 -0.399 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435353 813842692 /nfs/dbraw/zinc/84/26/92/813842692.db2.gz GFJGQTFOKGLMNB-LBPRGKRZSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129423296 813843316 /nfs/dbraw/zinc/84/33/16/813843316.db2.gz RRIRLKQNMPPKAF-WDEREUQCSA-N 2 1 266.345 -0.153 20 0 CBADMP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129416865 813843359 /nfs/dbraw/zinc/84/33/59/813843359.db2.gz KJDIPJSCXMAZNF-WDEREUQCSA-N 2 1 291.355 -0.645 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21)C(N)=O ZINC001129429670 813843474 /nfs/dbraw/zinc/84/34/74/813843474.db2.gz JLCKGXOXYNBWRL-GHMZBOCLSA-N 2 1 293.371 -0.270 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)c1nncn1C ZINC001129444369 813845732 /nfs/dbraw/zinc/84/57/32/813845732.db2.gz SICGMKNAYFTETR-CMPLNLGQSA-N 2 1 294.403 -0.078 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129531652 813848834 /nfs/dbraw/zinc/84/88/34/813848834.db2.gz DKAKVMUGCKUTFO-UHFFFAOYSA-N 2 1 270.377 -0.687 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+]CC(=O)N1CCC1)C1CCC1 ZINC001129527006 813849166 /nfs/dbraw/zinc/84/91/66/813849166.db2.gz XAKATBMHJINHIY-UHFFFAOYSA-N 2 1 282.388 -0.591 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)nn1 ZINC001129532166 813850174 /nfs/dbraw/zinc/85/01/74/813850174.db2.gz SYYKVORUMPNMQL-UHFFFAOYSA-N 2 1 294.403 -0.012 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)nn1 ZINC001129532166 813850185 /nfs/dbraw/zinc/85/01/85/813850185.db2.gz SYYKVORUMPNMQL-UHFFFAOYSA-N 2 1 294.403 -0.012 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001129532164 813850435 /nfs/dbraw/zinc/85/04/35/813850435.db2.gz SYKQKTLDGPFBMI-NSHDSACASA-N 2 1 268.361 -0.935 20 0 CBADMP COCCOCC[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129531716 813850752 /nfs/dbraw/zinc/85/07/52/813850752.db2.gz HEPKKHVVPYZPOG-UHFFFAOYSA-N 2 1 287.404 -0.161 20 0 CBADMP CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001129531625 813850950 /nfs/dbraw/zinc/85/09/50/813850950.db2.gz CHPJNXLQMLDENT-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CN1CC[C@@H]([NH2+]CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001129839516 813869814 /nfs/dbraw/zinc/86/98/14/813869814.db2.gz AWROBTJDMYBMBZ-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)OC ZINC001130182500 813913561 /nfs/dbraw/zinc/91/35/61/813913561.db2.gz KQBSIBHEEVKQQM-FRRDWIJNSA-N 2 1 287.404 -0.164 20 0 CBADMP CC[C@@H](C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)OC ZINC001130182500 813913564 /nfs/dbraw/zinc/91/35/64/813913564.db2.gz KQBSIBHEEVKQQM-FRRDWIJNSA-N 2 1 287.404 -0.164 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC2CCOCC2)O1 ZINC001130182596 813914484 /nfs/dbraw/zinc/91/44/84/813914484.db2.gz OQRDDAIXVMKMPQ-TZMCWYRMSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC2CCOCC2)O1 ZINC001130182596 813914489 /nfs/dbraw/zinc/91/44/89/813914489.db2.gz OQRDDAIXVMKMPQ-TZMCWYRMSA-N 2 1 299.415 -0.162 20 0 CBADMP Cc1nocc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130180295 813914528 /nfs/dbraw/zinc/91/45/28/813914528.db2.gz LPRRUDBGQVZCIN-ZWNOBZJWSA-N 2 1 296.371 -0.092 20 0 CBADMP Cc1nocc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130180295 813914532 /nfs/dbraw/zinc/91/45/32/813914532.db2.gz LPRRUDBGQVZCIN-ZWNOBZJWSA-N 2 1 296.371 -0.092 20 0 CBADMP Cc1oncc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182373 813914883 /nfs/dbraw/zinc/91/48/83/813914883.db2.gz FDXDBTYAGIYRDQ-ZWNOBZJWSA-N 2 1 296.371 -0.092 20 0 CBADMP Cc1oncc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182373 813914888 /nfs/dbraw/zinc/91/48/88/813914888.db2.gz FDXDBTYAGIYRDQ-ZWNOBZJWSA-N 2 1 296.371 -0.092 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccnn2C)O1 ZINC001130186555 813915607 /nfs/dbraw/zinc/91/56/07/813915607.db2.gz IOEFVADMGVYCTF-DGCLKSJQSA-N 2 1 295.387 -0.655 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccnn2C)O1 ZINC001130186555 813915615 /nfs/dbraw/zinc/91/56/15/813915615.db2.gz IOEFVADMGVYCTF-DGCLKSJQSA-N 2 1 295.387 -0.655 20 0 CBADMP O=C(NCC[NH2+]CCO)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130188574 813916378 /nfs/dbraw/zinc/91/63/78/813916378.db2.gz GQKUHCVGEUBFBL-NEPJUHHUSA-N 2 1 255.362 -0.299 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130189966 813917139 /nfs/dbraw/zinc/91/71/39/813917139.db2.gz UJMNJCWOCWCLSV-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[C@H](C(=O)NCC[NH2+][C@H](C)c1nnnn1C)[NH+](C)C ZINC001130203849 813918931 /nfs/dbraw/zinc/91/89/31/813918931.db2.gz ZJVMGXFBJWIQCG-NXEZZACHSA-N 2 1 283.380 -0.683 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130296660 813922854 /nfs/dbraw/zinc/92/28/54/813922854.db2.gz AFSDNQZWSHMQDP-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001130297714 813923842 /nfs/dbraw/zinc/92/38/42/813923842.db2.gz QBIGRLJTTAHREC-LBPRGKRZSA-N 2 1 282.388 -0.545 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001130297732 813923936 /nfs/dbraw/zinc/92/39/36/813923936.db2.gz QGUNAUAKWSYZEY-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001130297713 813925191 /nfs/dbraw/zinc/92/51/91/813925191.db2.gz QBIGRLJTTAHREC-GFCCVEGCSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001130300854 813925203 /nfs/dbraw/zinc/92/52/03/813925203.db2.gz WHUMYMJPNOEBCT-UWVGGRQHSA-N 2 1 256.350 -0.950 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130297729 813925397 /nfs/dbraw/zinc/92/53/97/813925397.db2.gz QGSJPEZDIDFURV-GFCCVEGCSA-N 2 1 284.404 -0.297 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001130303772 813925493 /nfs/dbraw/zinc/92/54/93/813925493.db2.gz JLUXVRWYMKKHSB-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC001130300873 813925513 /nfs/dbraw/zinc/92/55/13/813925513.db2.gz WUPZLSXFSBDBJV-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001130427930 813937877 /nfs/dbraw/zinc/93/78/77/813937877.db2.gz VRFLBUUCRILIDX-LLVKDONJSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001130419141 813938719 /nfs/dbraw/zinc/93/87/19/813938719.db2.gz MQLWHWSAEIANTB-UHFFFAOYSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001130428013 813939755 /nfs/dbraw/zinc/93/97/55/813939755.db2.gz YTMNKNZSMUBGBS-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](O)C[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130645156 813959499 /nfs/dbraw/zinc/95/94/99/813959499.db2.gz ACRJIZGQROFBOM-SECBINFHSA-N 2 1 270.333 -0.564 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001130711086 813968436 /nfs/dbraw/zinc/96/84/36/813968436.db2.gz MXXXWCLTZSUZSB-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001130711448 813968696 /nfs/dbraw/zinc/96/86/96/813968696.db2.gz VPCWEGCZFQRMBG-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380501 814026094 /nfs/dbraw/zinc/02/60/94/814026094.db2.gz NXOQZPDNTMHSPP-UHFFFAOYSA-N 2 1 281.360 -0.576 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001131380514 814026240 /nfs/dbraw/zinc/02/62/40/814026240.db2.gz OSKSDCNVQDBAAT-UHFFFAOYSA-N 2 1 281.360 -0.578 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380581 814027539 /nfs/dbraw/zinc/02/75/39/814027539.db2.gz RSABDUIRYBDLRR-UHFFFAOYSA-N 2 1 295.387 -0.234 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001131387185 814027799 /nfs/dbraw/zinc/02/77/99/814027799.db2.gz FECPOYJYHAUZKE-UHFFFAOYSA-N 2 1 293.371 -0.480 20 0 CBADMP CCC[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381371 814027869 /nfs/dbraw/zinc/02/78/69/814027869.db2.gz LPWIORQHVVGWAI-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP O=C(NCC[NH2+]CCF)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520499 814037990 /nfs/dbraw/zinc/03/79/90/814037990.db2.gz ZRQWGKTVDPFABC-QWKFWESOSA-N 2 1 271.336 -0.475 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519837 814038293 /nfs/dbraw/zinc/03/82/93/814038293.db2.gz KSIKRETXGZMBBH-JVWICGRDSA-N 2 1 297.399 -0.408 20 0 CBADMP O=C(NCC[NH2+]CCCF)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519652 814038387 /nfs/dbraw/zinc/03/83/87/814038387.db2.gz IRKPZSZPSLNXSD-LXVYMNJGSA-N 2 1 285.363 -0.085 20 0 CBADMP CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521598 814038615 /nfs/dbraw/zinc/03/86/15/814038615.db2.gz CMSSBCLVVFGTAB-QWKFWESOSA-N 2 1 253.346 -0.425 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CC(N)=O ZINC001132270659 814118221 /nfs/dbraw/zinc/11/82/21/814118221.db2.gz UVGNNGBUOVNDOC-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC(N)=O ZINC001132270659 814118228 /nfs/dbraw/zinc/11/82/28/814118228.db2.gz UVGNNGBUOVNDOC-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CC(N)=O ZINC001132270656 814118750 /nfs/dbraw/zinc/11/87/50/814118750.db2.gz UVGNNGBUOVNDOC-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC(N)=O ZINC001132270656 814118756 /nfs/dbraw/zinc/11/87/56/814118756.db2.gz UVGNNGBUOVNDOC-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC(N)=O)C1 ZINC001132409832 814148371 /nfs/dbraw/zinc/14/83/71/814148371.db2.gz FSMZFWFWVCWKSI-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC(N)=O)C1 ZINC001132409832 814148379 /nfs/dbraw/zinc/14/83/79/814148379.db2.gz FSMZFWFWVCWKSI-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132409832 814148384 /nfs/dbraw/zinc/14/83/84/814148384.db2.gz FSMZFWFWVCWKSI-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132409832 814148388 /nfs/dbraw/zinc/14/83/88/814148388.db2.gz FSMZFWFWVCWKSI-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C1 ZINC001132738048 814181993 /nfs/dbraw/zinc/18/19/93/814181993.db2.gz UMLGPNXDTOLGTF-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001132736917 814182110 /nfs/dbraw/zinc/18/21/10/814182110.db2.gz GDRQNYHGZWCRMD-STQMWFEESA-N 2 1 296.415 -0.297 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001132736915 814182581 /nfs/dbraw/zinc/18/25/81/814182581.db2.gz GDRQNYHGZWCRMD-OLZOCXBDSA-N 2 1 296.415 -0.297 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001132738346 814182748 /nfs/dbraw/zinc/18/27/48/814182748.db2.gz ZOXFZUDLZSIWGA-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001132738394 814182825 /nfs/dbraw/zinc/18/28/25/814182825.db2.gz BJAAKNFEKYMQDX-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790772 814189335 /nfs/dbraw/zinc/18/93/35/814189335.db2.gz KFVZQANUBAYNSA-CYBMUJFWSA-N 2 1 296.415 -0.025 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001132848850 814193681 /nfs/dbraw/zinc/19/36/81/814193681.db2.gz UHDWIFPKDXDNGA-UONOGXRCSA-N 2 1 299.415 -0.162 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](C)O)C1 ZINC001132848349 814194189 /nfs/dbraw/zinc/19/41/89/814194189.db2.gz GBYSEKSPLNQVMZ-NEPJUHHUSA-N 2 1 273.377 -0.818 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893626 814199945 /nfs/dbraw/zinc/19/99/45/814199945.db2.gz WGNLQWRDAWEJSJ-TUAOUCFPSA-N 2 1 284.404 -0.443 20 0 CBADMP CCn1cc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)nn1 ZINC001132995176 814206382 /nfs/dbraw/zinc/20/63/82/814206382.db2.gz NFBDBVZKNXIBTI-UHFFFAOYSA-N 2 1 294.403 -0.154 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133224779 814232545 /nfs/dbraw/zinc/23/25/45/814232545.db2.gz DVQJOBALEWTGKP-OLZOCXBDSA-N 2 1 298.431 -0.112 20 0 CBADMP Cn1ncnc1C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133286044 814235191 /nfs/dbraw/zinc/23/51/91/814235191.db2.gz UOIHLGOIVDKYGL-UHFFFAOYSA-N 2 1 280.376 -0.637 20 0 CBADMP CCCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133819738 814299875 /nfs/dbraw/zinc/29/98/75/814299875.db2.gz MZOIDAFOERSIRK-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)C(N)=O ZINC001133823632 814301412 /nfs/dbraw/zinc/30/14/12/814301412.db2.gz KUUFFURSVCIINR-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001133823986 814301757 /nfs/dbraw/zinc/30/17/57/814301757.db2.gz VASRHQUWIALZRQ-GFCCVEGCSA-N 2 1 296.415 -0.297 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133823402 814302243 /nfs/dbraw/zinc/30/22/43/814302243.db2.gz FNXQJOCZASAIJA-GHMZBOCLSA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001133824138 814302378 /nfs/dbraw/zinc/30/23/78/814302378.db2.gz YOKKGYGBXXHJRP-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)C(N)=O ZINC001133823631 814303084 /nfs/dbraw/zinc/30/30/84/814303084.db2.gz KUUFFURSVCIINR-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)C(N)=O ZINC001133823630 814303494 /nfs/dbraw/zinc/30/34/94/814303494.db2.gz KUUFFURSVCIINR-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001133845637 814306351 /nfs/dbraw/zinc/30/63/51/814306351.db2.gz KIECXTQFUHSBEA-NWDGAFQWSA-N 2 1 282.388 -0.687 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845574 814306426 /nfs/dbraw/zinc/30/64/26/814306426.db2.gz IWSYTKNKRRBIPI-GHMZBOCLSA-N 2 1 270.377 -0.832 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1nncn1C ZINC001133845846 814306495 /nfs/dbraw/zinc/30/64/95/814306495.db2.gz ORPPPYCHLDCHTI-NEPJUHHUSA-N 2 1 294.403 -0.076 20 0 CBADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1nncn1C ZINC001133845846 814306504 /nfs/dbraw/zinc/30/65/04/814306504.db2.gz ORPPPYCHLDCHTI-NEPJUHHUSA-N 2 1 294.403 -0.076 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001133845555 814306658 /nfs/dbraw/zinc/30/66/58/814306658.db2.gz INBYRSHANBVSGN-LBPRGKRZSA-N 2 1 296.415 -0.440 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1nnnn1C ZINC001133846045 814307111 /nfs/dbraw/zinc/30/71/11/814307111.db2.gz SHKFLUPKXKIJCS-WDEREUQCSA-N 2 1 295.391 -0.681 20 0 CBADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1nnnn1C ZINC001133846045 814307119 /nfs/dbraw/zinc/30/71/19/814307119.db2.gz SHKFLUPKXKIJCS-WDEREUQCSA-N 2 1 295.391 -0.681 20 0 CBADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133846333 814307587 /nfs/dbraw/zinc/30/75/87/814307587.db2.gz YZWFXLIEPDWKGH-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133846297 814308784 /nfs/dbraw/zinc/30/87/84/814308784.db2.gz YECCYPKNSVKIPQ-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001133846343 814309309 /nfs/dbraw/zinc/30/93/09/814309309.db2.gz ZDSCACRPMCTVOS-LBPRGKRZSA-N 2 1 280.376 -0.674 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845650 814309452 /nfs/dbraw/zinc/30/94/52/814309452.db2.gz KQOGTPXZEUIFJH-GFCCVEGCSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001133863215 814309900 /nfs/dbraw/zinc/30/99/00/814309900.db2.gz KIEVYTZEPVEJRB-VXGBXAGGSA-N 2 1 280.376 -0.818 20 0 CBADMP COCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863841 814312176 /nfs/dbraw/zinc/31/21/76/814312176.db2.gz PZJGWEGRBQMANO-RYUDHWBXSA-N 2 1 257.378 -0.074 20 0 CBADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133863320 814312446 /nfs/dbraw/zinc/31/24/46/814312446.db2.gz LDGIAOSRDHZXLG-CHWSQXEVSA-N 2 1 298.431 -0.338 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001133867039 814313451 /nfs/dbraw/zinc/31/34/51/814313451.db2.gz QSDXUCMAVPVUTJ-WCQYABFASA-N 2 1 279.388 -0.176 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001133868154 814313762 /nfs/dbraw/zinc/31/37/62/814313762.db2.gz ZXRVVEYEVVUKCJ-VXGBXAGGSA-N 2 1 282.388 -0.878 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133867607 814315028 /nfs/dbraw/zinc/31/50/28/814315028.db2.gz VZGZVINSEDRFEX-VXGBXAGGSA-N 2 1 284.404 -0.632 20 0 CBADMP CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133869733 814317604 /nfs/dbraw/zinc/31/76/04/814317604.db2.gz KEXOPWFDJKLNRY-DGCLKSJQSA-N 2 1 294.403 -0.299 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133894170 814320447 /nfs/dbraw/zinc/32/04/47/814320447.db2.gz VYLDJCBDARCOKH-UHFFFAOYSA-N 2 1 294.403 -0.247 20 0 CBADMP Cn1cnnc1C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133894170 814320457 /nfs/dbraw/zinc/32/04/57/814320457.db2.gz VYLDJCBDARCOKH-UHFFFAOYSA-N 2 1 294.403 -0.247 20 0 CBADMP CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1nncn1C)[NH+](C)C ZINC001133965613 814330409 /nfs/dbraw/zinc/33/04/09/814330409.db2.gz BCQIOZDXCWRYGL-MNOVXSKESA-N 2 1 282.392 -0.078 20 0 CBADMP CC[C@@H](C(=O)NCC[NH2+]Cc1cn(CC)nn1)[NH+](C)C ZINC001133966204 814331976 /nfs/dbraw/zinc/33/19/76/814331976.db2.gz XMWBKPUOFCVXGV-LBPRGKRZSA-N 2 1 282.392 -0.156 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001134570008 814398611 /nfs/dbraw/zinc/39/86/11/814398611.db2.gz FBICFSPYPQXHQX-LLVKDONJSA-N 2 1 293.371 -0.399 20 0 CBADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCO ZINC001134767053 814410644 /nfs/dbraw/zinc/41/06/44/814410644.db2.gz QQNONXOLVJBCGC-LBPRGKRZSA-N 2 1 257.378 -0.053 20 0 CBADMP Cn1ncc(C[NH2+]CCNC(=O)CC2CC[NH+](C)CC2)n1 ZINC001134780327 814413011 /nfs/dbraw/zinc/41/30/11/814413011.db2.gz AUTSWSCWUHTCPR-UHFFFAOYSA-N 2 1 294.403 -0.247 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001135028031 814431878 /nfs/dbraw/zinc/43/18/78/814431878.db2.gz BLTFEHCUXSMUKS-VHSXEESVSA-N 2 1 281.360 -0.450 20 0 CBADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135092647 814436979 /nfs/dbraw/zinc/43/69/79/814436979.db2.gz AIDKBLTYCISVNF-NEPJUHHUSA-N 2 1 282.388 -0.545 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135095681 814437163 /nfs/dbraw/zinc/43/71/63/814437163.db2.gz NTGKYQHXKBCFOO-CHWSQXEVSA-N 2 1 296.415 -0.155 20 0 CBADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135096045 814438391 /nfs/dbraw/zinc/43/83/91/814438391.db2.gz ZIPHLPLUBKMENO-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H]([NH2+]CCNC(=O)CCCn1cc[nH+]c1C)C(N)=O ZINC001135304998 814460990 /nfs/dbraw/zinc/46/09/90/814460990.db2.gz DZHFTBFUFVGERH-GFCCVEGCSA-N 2 1 295.387 -0.059 20 0 CBADMP NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159907627 815604995 /nfs/dbraw/zinc/60/49/95/815604995.db2.gz BYAZKHGGTJOLFN-CYBMUJFWSA-N 2 1 296.415 -0.025 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001135350452 814468277 /nfs/dbraw/zinc/46/82/77/814468277.db2.gz YQIFFKQWEQFFLD-AWEZNQCLSA-N 2 1 299.415 -0.159 20 0 CBADMP C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCOCC1)[NH2+]CCO ZINC001135692751 814511024 /nfs/dbraw/zinc/51/10/24/814511024.db2.gz QFHZRMBRTPVLJE-OLZOCXBDSA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@H](C[C@@H](C)[NH2+]CCO)NC(=O)CC[NH+]1CCOCC1 ZINC001135692750 814511934 /nfs/dbraw/zinc/51/19/34/814511934.db2.gz QFHZRMBRTPVLJE-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001135861225 814532577 /nfs/dbraw/zinc/53/25/77/814532577.db2.gz OBLZZGXGQIITKE-VXGBXAGGSA-N 2 1 286.420 -0.053 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001135981089 814543060 /nfs/dbraw/zinc/54/30/60/814543060.db2.gz XLMJHPAGVGNUDC-WDEREUQCSA-N 2 1 272.393 -0.314 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001141196527 814649207 /nfs/dbraw/zinc/64/92/07/814649207.db2.gz FZCIHWPEXWHBSR-UHXUPSOCSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)C[C@@H]21 ZINC001141196527 814649211 /nfs/dbraw/zinc/64/92/11/814649211.db2.gz FZCIHWPEXWHBSR-UHXUPSOCSA-N 2 1 267.373 -0.396 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)C[C@@H]21 ZINC001141196527 814649215 /nfs/dbraw/zinc/64/92/15/814649215.db2.gz FZCIHWPEXWHBSR-UHXUPSOCSA-N 2 1 267.373 -0.396 20 0 CBADMP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001142624029 814725065 /nfs/dbraw/zinc/72/50/65/814725065.db2.gz FVOCHXVUCSGLIS-SNVBAGLBSA-N 2 1 275.374 -0.782 20 0 CBADMP C[NH+](C)C1(C)CN(C(=O)CCN2CC[NH+](C)CC2)C1 ZINC001143230006 814763144 /nfs/dbraw/zinc/76/31/44/814763144.db2.gz AHMYGBJLRLOEFO-UHFFFAOYSA-N 2 1 268.405 -0.214 20 0 CBADMP Cc1ncc(C[NH3+])c(=N)n1C(=O)CC[NH+]1CCN(C)CC1 ZINC001143236855 814764818 /nfs/dbraw/zinc/76/48/18/814764818.db2.gz WFYLDYBKCPCIKM-UHFFFAOYSA-N 2 1 292.387 -0.593 20 0 CBADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(N)=[NH2+])C1 ZINC001144135955 814773345 /nfs/dbraw/zinc/77/33/45/814773345.db2.gz HLIDSOUPJCTXEC-JTQLQIEISA-N 2 1 255.366 -0.247 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333358 814837743 /nfs/dbraw/zinc/83/77/43/814837743.db2.gz NXZQBJDQSXSADK-QWRGUYRKSA-N 2 1 295.387 -0.190 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)COC ZINC001146705949 814843481 /nfs/dbraw/zinc/84/34/81/814843481.db2.gz ZTPGPXWVGKFKTN-LLVKDONJSA-N 2 1 261.366 -0.959 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001146711714 814843546 /nfs/dbraw/zinc/84/35/46/814843546.db2.gz VFQQMISDURNJBW-UHFFFAOYSA-N 2 1 297.359 -0.339 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001146709779 814844043 /nfs/dbraw/zinc/84/40/43/814844043.db2.gz DMEZZSSTMLRJMN-GFCCVEGCSA-N 2 1 294.403 -0.187 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001146719946 814845110 /nfs/dbraw/zinc/84/51/10/814845110.db2.gz XVJYHBZASZLVMI-UHFFFAOYSA-N 2 1 279.406 -0.921 20 0 CBADMP CCNC(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146718441 814845584 /nfs/dbraw/zinc/84/55/84/814845584.db2.gz BIDYVZUBYZWYKN-UHFFFAOYSA-N 2 1 258.366 -0.830 20 0 CBADMP CCCCNC(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146719596 814845892 /nfs/dbraw/zinc/84/58/92/814845892.db2.gz QWNJELQQYFHWSS-UHFFFAOYSA-N 2 1 286.420 -0.050 20 0 CBADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001147359726 814890632 /nfs/dbraw/zinc/89/06/32/814890632.db2.gz UQCBJRKCLXNKTP-LBPRGKRZSA-N 2 1 284.404 -0.168 20 0 CBADMP Cn1nccc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147876974 814920752 /nfs/dbraw/zinc/92/07/52/814920752.db2.gz AZIPOGAYPMVUON-LBPRGKRZSA-N 2 1 279.388 -0.032 20 0 CBADMP Cc1nc(C[NH2+]CCNC(=O)COCC[NH+](C)C)co1 ZINC001147885269 814921912 /nfs/dbraw/zinc/92/19/12/814921912.db2.gz LBEPBKRFKLGWRY-UHFFFAOYSA-N 2 1 284.360 -0.233 20 0 CBADMP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878210 814923196 /nfs/dbraw/zinc/92/31/96/814923196.db2.gz VCSITMBETISWDK-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP C[NH+]1CCN(c2nccc(N[C@H]3C[NH2+]C[C@H]3CO)n2)CC1 ZINC001159682608 815589418 /nfs/dbraw/zinc/58/94/18/815589418.db2.gz SJFSOJLBYSVZPR-RYUDHWBXSA-N 2 1 292.387 -0.779 20 0 CBADMP COC[C@@H]1COCCC12CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001160059388 815608989 /nfs/dbraw/zinc/60/89/89/815608989.db2.gz PPGIHEJNPAMWII-OLZOCXBDSA-N 2 1 299.415 -0.046 20 0 CBADMP [NH3+]C[C@H](O)CC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160483133 815628467 /nfs/dbraw/zinc/62/84/67/815628467.db2.gz ODVUGPFRABXCOG-CQSZACIVSA-N 2 1 292.383 -0.522 20 0 CBADMP NC(=O)c1cncc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160511521 815631387 /nfs/dbraw/zinc/63/13/87/815631387.db2.gz OBOSASZOXXILIB-CYBMUJFWSA-N 2 1 276.344 -0.590 20 0 CBADMP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160539232 815633888 /nfs/dbraw/zinc/63/38/88/815633888.db2.gz OFTRJCIUUHFEKV-QWRGUYRKSA-N 2 1 292.387 -0.116 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001160539524 815634277 /nfs/dbraw/zinc/63/42/77/815634277.db2.gz WECFZXJCXNVWKH-VHSXEESVSA-N 2 1 293.327 -0.682 20 0 CBADMP CC(C)(C)N1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001160578328 815640298 /nfs/dbraw/zinc/64/02/98/815640298.db2.gz WCVRBSLKIJQIGX-LLVKDONJSA-N 2 1 256.394 -0.005 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC[C@@H](CCO)C1 ZINC001160610890 815645675 /nfs/dbraw/zinc/64/56/75/815645675.db2.gz OAAKKQIWOAFNGC-LBPRGKRZSA-N 2 1 269.389 -0.051 20 0 CBADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccsc2)CCO1 ZINC001160644215 815650913 /nfs/dbraw/zinc/65/09/13/815650913.db2.gz XPCGURDJOILIJZ-UWVGGRQHSA-N 2 1 255.343 -0.066 20 0 CBADMP C[NH+](C)C1(C)CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C1 ZINC001160645174 815651042 /nfs/dbraw/zinc/65/10/42/815651042.db2.gz PAYDVXHEUPHXNO-BREBYQMCSA-N 2 1 252.362 -0.629 20 0 CBADMP NC[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001160656614 815653116 /nfs/dbraw/zinc/65/31/16/815653116.db2.gz ZIGJSHYKIVAART-JHJVBQTASA-N 2 1 278.356 -0.821 20 0 CBADMP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001160698659 815660618 /nfs/dbraw/zinc/66/06/18/815660618.db2.gz OHYPEDMBOBOSIE-GXTWGEPZSA-N 2 1 297.447 -0.805 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C[C@H]2C1 ZINC001160704897 815661658 /nfs/dbraw/zinc/66/16/58/815661658.db2.gz QHUQROXNCPHACU-UMNHJUIQSA-N 2 1 263.345 -0.701 20 0 CBADMP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)C[C@H]2C1 ZINC001160704897 815661661 /nfs/dbraw/zinc/66/16/61/815661661.db2.gz QHUQROXNCPHACU-UMNHJUIQSA-N 2 1 263.345 -0.701 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)C[C@H]2C1 ZINC001160704897 815661663 /nfs/dbraw/zinc/66/16/63/815661663.db2.gz QHUQROXNCPHACU-UMNHJUIQSA-N 2 1 263.345 -0.701 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)C[C@H]2C1 ZINC001160704837 815662096 /nfs/dbraw/zinc/66/20/96/815662096.db2.gz ONIQQTKHFFZORO-FRRDWIJNSA-N 3 1 266.389 -0.667 20 0 CBADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001160825573 815674364 /nfs/dbraw/zinc/67/43/64/815674364.db2.gz CSMBCXRGGOVVFK-JQWIXIFHSA-N 2 1 291.355 -0.965 20 0 CBADMP Nc1ccc[nH+]c1N1CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001160826176 815674376 /nfs/dbraw/zinc/67/43/76/815674376.db2.gz UMLOROZXIVSQAG-SNVBAGLBSA-N 2 1 279.344 -0.978 20 0 CBADMP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001160840649 815678013 /nfs/dbraw/zinc/67/80/13/815678013.db2.gz YYWGCAPICFUDFG-NWDGAFQWSA-N 2 1 281.360 -0.932 20 0 CBADMP CO[C@H](C)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160850665 815681142 /nfs/dbraw/zinc/68/11/42/815681142.db2.gz FEXPWNWKLJWXCT-JHJVBQTASA-N 2 1 287.404 -0.164 20 0 CBADMP CO[C@H](C)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160850665 815681144 /nfs/dbraw/zinc/68/11/44/815681144.db2.gz FEXPWNWKLJWXCT-JHJVBQTASA-N 2 1 287.404 -0.164 20 0 CBADMP CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857779 815681223 /nfs/dbraw/zinc/68/12/23/815681223.db2.gz QGWDBARTFBYENU-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857779 815681237 /nfs/dbraw/zinc/68/12/37/815681237.db2.gz QGWDBARTFBYENU-CHWSQXEVSA-N 2 1 287.404 -0.162 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160862575 815682274 /nfs/dbraw/zinc/68/22/74/815682274.db2.gz RFAYXJBZKNDUDA-QWHCGFSZSA-N 2 1 296.415 -0.155 20 0 CBADMP O=C([C@@H]1[NH2+]CCS1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999794 815693267 /nfs/dbraw/zinc/69/32/67/815693267.db2.gz KVYBCNHVMQPFGN-NXEZZACHSA-N 2 1 271.386 -0.636 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161042740 815703032 /nfs/dbraw/zinc/70/30/32/815703032.db2.gz UHRUKJSUJRBYQP-LBPRGKRZSA-N 2 1 284.404 -0.297 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC001161043024 815703413 /nfs/dbraw/zinc/70/34/13/815703413.db2.gz WNSUJQHGUBNBMR-WDEREUQCSA-N 2 1 270.377 -0.560 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001161041503 815703867 /nfs/dbraw/zinc/70/38/67/815703867.db2.gz JRZLYSIVALJGES-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC001161049621 815703981 /nfs/dbraw/zinc/70/39/81/815703981.db2.gz GTBUHJSCIYZROD-CYBMUJFWSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161050475 815705247 /nfs/dbraw/zinc/70/52/47/815705247.db2.gz NPCNJUKMMVWFNY-OLZOCXBDSA-N 3 1 280.416 -0.264 20 0 CBADMP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161060774 815705575 /nfs/dbraw/zinc/70/55/75/815705575.db2.gz CWZFKWWWWWWIPJ-SKENRDBWSA-N 2 1 266.389 -0.064 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@@H]21 ZINC001161081029 815708642 /nfs/dbraw/zinc/70/86/42/815708642.db2.gz CJYBHJABNMPZCX-RHYQMDGZSA-N 2 1 252.362 -0.914 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001161081180 815708755 /nfs/dbraw/zinc/70/87/55/815708755.db2.gz GSGMIACSDDRRLE-GRYCIOLGSA-N 2 1 269.345 -0.571 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001161081180 815708766 /nfs/dbraw/zinc/70/87/66/815708766.db2.gz GSGMIACSDDRRLE-GRYCIOLGSA-N 2 1 269.345 -0.571 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@@H]21 ZINC001161080950 815709522 /nfs/dbraw/zinc/70/95/22/815709522.db2.gz AAQZPOCFHJEGCX-SRVKXCTJSA-N 3 1 286.445 -0.442 20 0 CBADMP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@@H]21 ZINC001161080950 815709526 /nfs/dbraw/zinc/70/95/26/815709526.db2.gz AAQZPOCFHJEGCX-SRVKXCTJSA-N 2 1 286.445 -0.442 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@@H]21 ZINC001161080950 815709529 /nfs/dbraw/zinc/70/95/29/815709529.db2.gz AAQZPOCFHJEGCX-SRVKXCTJSA-N 2 1 286.445 -0.442 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@H]21 ZINC001161081223 815709971 /nfs/dbraw/zinc/70/99/71/815709971.db2.gz HNKNBYPAOQJPMN-IXYNUQLISA-N 3 1 292.427 -0.262 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C3(N)CC[NH2+]CC3)C[C@H]21 ZINC001161080991 815710207 /nfs/dbraw/zinc/71/02/07/815710207.db2.gz AUZHPRYCABPCQD-VXGBXAGGSA-N 2 1 266.389 -0.380 20 0 CBADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@H]21 ZINC001161081875 815710906 /nfs/dbraw/zinc/71/09/06/815710906.db2.gz MHOPJWZWXQOMBP-FIQHERPVSA-N 2 1 253.346 -0.738 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@@H]21 ZINC001161084045 815712047 /nfs/dbraw/zinc/71/20/47/815712047.db2.gz WLAVQRUZFRWCOF-UPJWGTAASA-N 2 1 267.373 -0.083 20 0 CBADMP CCN(CCC(=O)OC)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001161132942 815718499 /nfs/dbraw/zinc/71/84/99/815718499.db2.gz WIFPXNFZMBCLGI-UHFFFAOYSA-N 2 1 271.361 -0.260 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)CC[NH3+])C[C@H]2C1 ZINC001161175273 815724271 /nfs/dbraw/zinc/72/42/71/815724271.db2.gz KCTATCUEGIZCBE-TUAOUCFPSA-N 2 1 254.378 -0.537 20 0 CBADMP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@H]2C1 ZINC001161175273 815724277 /nfs/dbraw/zinc/72/42/77/815724277.db2.gz KCTATCUEGIZCBE-TUAOUCFPSA-N 3 1 254.378 -0.537 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@H]2C1 ZINC001161175273 815724282 /nfs/dbraw/zinc/72/42/82/815724282.db2.gz KCTATCUEGIZCBE-TUAOUCFPSA-N 3 1 254.378 -0.537 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C[C@H]2C1 ZINC001161175197 815725153 /nfs/dbraw/zinc/72/51/53/815725153.db2.gz IUDNWJKGSWDNQN-FQLMCAECSA-N 2 1 292.427 -0.262 20 0 CBADMP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COC[NH2+]3)C[C@H]2C1 ZINC001161176462 815726098 /nfs/dbraw/zinc/72/60/98/815726098.db2.gz VEENVWGYTXPZNA-TUAOUCFPSA-N 2 1 253.346 -0.268 20 0 CBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC[NH2+]3)C[C@H]2C1 ZINC001161176462 815726106 /nfs/dbraw/zinc/72/61/06/815726106.db2.gz VEENVWGYTXPZNA-TUAOUCFPSA-N 2 1 253.346 -0.268 20 0 CBADMP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH2+]3)C[C@H]2C1 ZINC001161176292 815726559 /nfs/dbraw/zinc/72/65/59/815726559.db2.gz SJEAZIAOGLRRAJ-UPJWGTAASA-N 2 1 267.373 -0.225 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001161226577 815729951 /nfs/dbraw/zinc/72/99/51/815729951.db2.gz JMOFQSWVKQAMBI-JTQLQIEISA-N 2 1 272.393 -0.314 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001161226312 815730598 /nfs/dbraw/zinc/73/05/98/815730598.db2.gz CEJXTJUEOFHCGU-UHFFFAOYSA-N 2 1 286.420 -0.099 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC[C@@H](Oc2ncccn2)C1 ZINC001161295292 815737106 /nfs/dbraw/zinc/73/71/06/815737106.db2.gz IAQKJGTWTXRTMP-MNOVXSKESA-N 2 1 279.344 -0.478 20 0 CBADMP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC1 ZINC001161306490 815738660 /nfs/dbraw/zinc/73/86/60/815738660.db2.gz NJQWNIHTDUUWCZ-OLZOCXBDSA-N 2 1 289.383 -0.272 20 0 CBADMP CCN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2)[C@@H]1CCC[NH2+]C1 ZINC001161333154 815742952 /nfs/dbraw/zinc/74/29/52/815742952.db2.gz SAQPTJXSTQIGHS-BYNQJWBRSA-N 2 1 266.389 -0.191 20 0 CBADMP CC(C)N(C(=O)[C@@H]([NH3+])Cc1c[nH]cn1)[C@H]1CC[NH2+]C1 ZINC001161350663 815745362 /nfs/dbraw/zinc/74/53/62/815745362.db2.gz AUCHTDFVHAQJMH-RYUDHWBXSA-N 2 1 265.361 -0.122 20 0 CBADMP CCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CCC[NH2+]C1 ZINC001161339032 815745761 /nfs/dbraw/zinc/74/57/61/815745761.db2.gz HWXUAECADDWJGZ-OLZOCXBDSA-N 2 1 268.405 -0.167 20 0 CBADMP CCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CCC[NH2+]C1 ZINC001161339031 815745946 /nfs/dbraw/zinc/74/59/46/815745946.db2.gz HWXUAECADDWJGZ-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP CCN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC001161342144 815746206 /nfs/dbraw/zinc/74/62/06/815746206.db2.gz ZJDZYRCEAGZQEY-KGLIPLIRSA-N 2 1 297.447 -0.663 20 0 CBADMP CC(C)N1CC2(CC1=O)CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001161359985 815747380 /nfs/dbraw/zinc/74/73/80/815747380.db2.gz QZMUNBARDRELCN-LBPRGKRZSA-N 2 1 296.415 -0.088 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412045 815752079 /nfs/dbraw/zinc/75/20/79/815752079.db2.gz FKLXWOSKLZKZHL-OHBODLIOSA-N 2 1 263.345 -0.525 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161414667 815752723 /nfs/dbraw/zinc/75/27/23/815752723.db2.gz YJTDMUKZASKOGS-VLEAKVRGSA-N 2 1 269.345 -0.537 20 0 CBADMP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423784 815753740 /nfs/dbraw/zinc/75/37/40/815753740.db2.gz NRTVGMHGZHODNE-NEPJUHHUSA-N 2 1 282.388 -0.608 20 0 CBADMP O=C(CNC1CC[NH2+]CC1)N1CC[N@H+]2CC[C@H]2C1 ZINC001161421953 815754117 /nfs/dbraw/zinc/75/41/17/815754117.db2.gz YSNDRMFTEVRXNC-LBPRGKRZSA-N 2 1 252.362 -0.756 20 0 CBADMP C[NH+](C)CCN(C(=O)[C@]1(C)COCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161444660 815755471 /nfs/dbraw/zinc/75/54/71/815755471.db2.gz JRXOPNGBHURWLP-ZFWWWQNUSA-N 3 1 298.431 -0.493 20 0 CBADMP C[NH+](C)CCN(C(=O)[C@@H]1CSC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161442527 815755871 /nfs/dbraw/zinc/75/58/71/815755871.db2.gz CMFSJGGSDAMBAW-NEPJUHHUSA-N 3 1 286.445 -0.209 20 0 CBADMP CCCCOC(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C1 ZINC001161460231 815757554 /nfs/dbraw/zinc/75/75/54/815757554.db2.gz IOTOOMSXMCFIEE-MNOVXSKESA-N 2 1 271.361 -0.146 20 0 CBADMP CO[C@@H]1CN(C(=O)c2cnc([C@H](C)[NH3+])s2)C[C@@H]1[NH3+] ZINC001161493244 815761296 /nfs/dbraw/zinc/76/12/96/815761296.db2.gz HPWPTMKLZZQYBJ-BIIVOSGPSA-N 2 1 270.358 -0.039 20 0 CBADMP C[N@@H+](C1CN(C(=O)C2CC[NH2+]CC2)C1)[C@H]1CCOC1 ZINC001161499124 815763573 /nfs/dbraw/zinc/76/35/73/815763573.db2.gz OCWXCYHAZFNWJT-LBPRGKRZSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@@H+](C1CN(C(=O)[C@@H]2CC[NH2+]C[C@H]2F)C1)[C@H]1CCOC1 ZINC001161498606 815763611 /nfs/dbraw/zinc/76/36/11/815763611.db2.gz GMQSSKDQHSJJOM-CYZMBNFOSA-N 2 1 285.363 -0.135 20 0 CBADMP NC[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)cc1 ZINC001161507280 815764601 /nfs/dbraw/zinc/76/46/01/815764601.db2.gz RTSILXDTIOTKRU-QWHCGFSZSA-N 2 1 290.367 -0.555 20 0 CBADMP [NH3+]Cc1ncc(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)s1 ZINC001161508377 815765188 /nfs/dbraw/zinc/76/51/88/815765188.db2.gz FDASEMJCRSCPRO-MRVPVSSYSA-N 2 1 268.342 -0.599 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001162605399 815836257 /nfs/dbraw/zinc/83/62/57/815836257.db2.gz AZXYRRGVIONPMY-LBPRGKRZSA-N 2 1 295.387 -0.236 20 0 CBADMP CC[C@H]([NH2+]CCCNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001162611143 815836324 /nfs/dbraw/zinc/83/63/24/815836324.db2.gz DSSBVDXRXIXPJS-NSHDSACASA-N 2 1 281.360 -0.449 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]C[C@H](C)O ZINC001162606074 815836948 /nfs/dbraw/zinc/83/69/48/815836948.db2.gz MNQWFUPOMSPVFZ-NSHDSACASA-N 2 1 254.334 -0.332 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001162606096 815837942 /nfs/dbraw/zinc/83/79/42/815837942.db2.gz NACHEISHKSEHAO-JTQLQIEISA-N 2 1 267.333 -0.839 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162851951 815845542 /nfs/dbraw/zinc/84/55/42/815845542.db2.gz UIWOVIWINQCHRU-OWYJLGKBSA-N 2 1 297.399 -0.408 20 0 CBADMP COC(=O)c1c[nH+]ccc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163158147 815862239 /nfs/dbraw/zinc/86/22/39/815862239.db2.gz FHHOHCFEFZYGCK-HZMBPMFUSA-N 2 1 277.324 -0.062 20 0 CBADMP COc1[nH+]ccc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c1N ZINC001163239313 815870627 /nfs/dbraw/zinc/87/06/27/815870627.db2.gz FAKZAULMKGHYSL-QPUJVOFHSA-N 2 1 263.301 -0.338 20 0 CBADMP COC(=O)c1c[nH+]ccc1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163253358 815874311 /nfs/dbraw/zinc/87/43/11/815874311.db2.gz LEVSITVAXBSUAV-ZWNOBZJWSA-N 2 1 276.296 -0.720 20 0 CBADMP COC(=O)c1c[nH+]ccc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163347790 815880167 /nfs/dbraw/zinc/88/01/67/815880167.db2.gz KVXJQYIOQLUFNF-WOPDTQHZSA-N 2 1 263.297 -0.169 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])Nc1cc[nH+]c(N)n1 ZINC001163446054 815885364 /nfs/dbraw/zinc/88/53/64/815885364.db2.gz ZVYPLJJKZVWAPZ-QMMMGPOBSA-N 2 1 252.322 -0.286 20 0 CBADMP CCC[N@H+](C)CC(=O)NCCNC(=O)Cn1c[nH+]cc1C ZINC001292984131 816496123 /nfs/dbraw/zinc/49/61/23/816496123.db2.gz VBLMGAMFDOYHBX-UHFFFAOYSA-N 2 1 295.387 -0.234 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCNC(=O)Cn1c[nH+]cc1C ZINC001292984131 816496129 /nfs/dbraw/zinc/49/61/29/816496129.db2.gz VBLMGAMFDOYHBX-UHFFFAOYSA-N 2 1 295.387 -0.234 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001293334849 816516725 /nfs/dbraw/zinc/51/67/25/816516725.db2.gz ZMPHPCAYWMVTSD-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001293334849 816516728 /nfs/dbraw/zinc/51/67/28/816516728.db2.gz ZMPHPCAYWMVTSD-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001293334849 816516729 /nfs/dbraw/zinc/51/67/29/816516729.db2.gz ZMPHPCAYWMVTSD-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cnnn1C ZINC001308248797 816823965 /nfs/dbraw/zinc/82/39/65/816823965.db2.gz MIHPLLGTTALAFL-NSHDSACASA-N 2 1 252.366 -0.459 20 0 CBADMP CN(CCOCC[N@@H+](C)CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001316759519 816876009 /nfs/dbraw/zinc/87/60/09/816876009.db2.gz ABRFJBIXZNJSMR-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP CN(CCOCC[NH+](C)CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001316759519 816876015 /nfs/dbraw/zinc/87/60/15/816876015.db2.gz ABRFJBIXZNJSMR-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP CN(CCOCC[NH+](C)CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001316759519 816876018 /nfs/dbraw/zinc/87/60/18/816876018.db2.gz ABRFJBIXZNJSMR-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP CN(CCOCC[N@@H+](C)CCO)C(=O)[C@H]1CCC[NH+]1C ZINC001316759518 816877425 /nfs/dbraw/zinc/87/74/25/816877425.db2.gz ABRFJBIXZNJSMR-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CN(CCOCC[NH+](C)CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001316759518 816877429 /nfs/dbraw/zinc/87/74/29/816877429.db2.gz ABRFJBIXZNJSMR-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CN(CCOCC[NH+](C)CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001316759518 816877434 /nfs/dbraw/zinc/87/74/34/816877434.db2.gz ABRFJBIXZNJSMR-CYBMUJFWSA-N 2 1 287.404 -0.520 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001316825826 816884063 /nfs/dbraw/zinc/88/40/63/816884063.db2.gz VVPFMKNBAORQGY-ZDUSSCGKSA-N 2 1 296.415 -0.488 20 0 CBADMP C[N@@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(N)=O ZINC001316859017 816895194 /nfs/dbraw/zinc/89/51/94/816895194.db2.gz JQDUILCIEZCAHZ-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP C[NH+](CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)CC(N)=O ZINC001316859017 816895201 /nfs/dbraw/zinc/89/52/01/816895201.db2.gz JQDUILCIEZCAHZ-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP C[NH+](CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CC(N)=O ZINC001316859017 816895208 /nfs/dbraw/zinc/89/52/08/816895208.db2.gz JQDUILCIEZCAHZ-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CC[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)[C@@H](C)C(N)=O ZINC001316906416 816901655 /nfs/dbraw/zinc/90/16/55/816901655.db2.gz AUBRVJXOCQZWBQ-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC ZINC001316909709 816902888 /nfs/dbraw/zinc/90/28/88/816902888.db2.gz UNUZUBHOBOCYRH-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NC ZINC001316909709 816902896 /nfs/dbraw/zinc/90/28/96/816902896.db2.gz UNUZUBHOBOCYRH-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NC ZINC001316909709 816902903 /nfs/dbraw/zinc/90/29/03/816902903.db2.gz UNUZUBHOBOCYRH-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001316990468 816916861 /nfs/dbraw/zinc/91/68/61/816916861.db2.gz IJDWECVVPMPWEF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001316990468 816916867 /nfs/dbraw/zinc/91/68/67/816916867.db2.gz IJDWECVVPMPWEF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](C[C@@H](C)O)C1 ZINC001316990607 816917209 /nfs/dbraw/zinc/91/72/09/816917209.db2.gz CHTQKWCQDKRSGE-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001316990607 816917215 /nfs/dbraw/zinc/91/72/15/816917215.db2.gz CHTQKWCQDKRSGE-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001316990607 816917223 /nfs/dbraw/zinc/91/72/23/816917223.db2.gz CHTQKWCQDKRSGE-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CCCO)C2CC2)C1 ZINC001317035202 816923177 /nfs/dbraw/zinc/92/31/77/816923177.db2.gz RCINENMNUWOTQH-UONOGXRCSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CCCO)C2CC2)C1 ZINC001317035202 816923187 /nfs/dbraw/zinc/92/31/87/816923187.db2.gz RCINENMNUWOTQH-UONOGXRCSA-N 2 1 299.415 -0.426 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CCCO)C1 ZINC001317059675 816925967 /nfs/dbraw/zinc/92/59/67/816925967.db2.gz ORUHCCQRWWWCSA-LBPRGKRZSA-N 2 1 266.345 -0.236 20 0 CBADMP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001317107771 816933009 /nfs/dbraw/zinc/93/30/09/816933009.db2.gz QOYCONHOWBLWAB-XQQFMLRXSA-N 2 1 285.388 -0.410 20 0 CBADMP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001317107771 816933015 /nfs/dbraw/zinc/93/30/15/816933015.db2.gz QOYCONHOWBLWAB-XQQFMLRXSA-N 2 1 285.388 -0.410 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001317115162 816933895 /nfs/dbraw/zinc/93/38/95/816933895.db2.gz LFFCTFLANZJADT-HZSPNIEDSA-N 2 1 299.415 -0.284 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N1CCC[C@@H](C[NH2+]CCO)C1 ZINC001317167884 816939206 /nfs/dbraw/zinc/93/92/06/816939206.db2.gz WUTYLRXAQWMFDD-AWEZNQCLSA-N 2 1 299.415 -0.471 20 0 CBADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]C[C@H](C)O ZINC001317244934 816948763 /nfs/dbraw/zinc/94/87/63/816948763.db2.gz FPVWOSANNYLWPZ-MNOVXSKESA-N 2 1 257.378 -0.054 20 0 CBADMP C[C@@H](O)C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001317244928 816948991 /nfs/dbraw/zinc/94/89/91/816948991.db2.gz FPVWOSANNYLWPZ-GHMZBOCLSA-N 2 1 257.378 -0.054 20 0 CBADMP O=C(CCCC[NH+]1CCOCC1)N1CC[C@H]([NH2+]CCO)C1 ZINC001317307148 816962701 /nfs/dbraw/zinc/96/27/01/816962701.db2.gz MSAFKJDYWVTXMZ-AWEZNQCLSA-N 2 1 299.415 -0.328 20 0 CBADMP CC[N@H+](CCCOC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001317477955 816993029 /nfs/dbraw/zinc/99/30/29/816993029.db2.gz SFHNWRQPXKCIJK-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[N@@H+](CCCOC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001317477955 816993035 /nfs/dbraw/zinc/99/30/35/816993035.db2.gz SFHNWRQPXKCIJK-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+](CCCOC)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001317477955 816993038 /nfs/dbraw/zinc/99/30/38/816993038.db2.gz SFHNWRQPXKCIJK-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+](CCCOC)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001317477955 816993041 /nfs/dbraw/zinc/99/30/41/816993041.db2.gz SFHNWRQPXKCIJK-CYBMUJFWSA-N 2 1 287.404 -0.208 20 0 CBADMP CCC[N@@H+](CCO)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317542710 817008242 /nfs/dbraw/zinc/00/82/42/817008242.db2.gz ITPFMKRLCAHJQA-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[NH+](CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317542710 817008245 /nfs/dbraw/zinc/00/82/45/817008245.db2.gz ITPFMKRLCAHJQA-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CCC[NH+](CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001317542710 817008251 /nfs/dbraw/zinc/00/82/51/817008251.db2.gz ITPFMKRLCAHJQA-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CN(CC[NH2+]CCNC(=O)C1CC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001317574082 817016690 /nfs/dbraw/zinc/01/66/90/817016690.db2.gz UIHUQUKXQXMYNE-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+]CCCO)C1 ZINC001317625815 817032996 /nfs/dbraw/zinc/03/29/96/817032996.db2.gz JPARDTDZQLTWNI-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1nnnn1C ZINC001317650789 817038477 /nfs/dbraw/zinc/03/84/77/817038477.db2.gz TUOQTAQDVYHPQM-UHFFFAOYSA-N 2 1 283.380 -0.900 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+]Cc1nnnn1C ZINC001317650789 817038487 /nfs/dbraw/zinc/03/84/87/817038487.db2.gz TUOQTAQDVYHPQM-UHFFFAOYSA-N 2 1 283.380 -0.900 20 0 CBADMP CN(CC[NH2+]Cc1ncnn1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317654944 817039973 /nfs/dbraw/zinc/03/99/73/817039973.db2.gz NOWJGYFAZNQCSF-GFCCVEGCSA-N 2 1 294.403 -0.295 20 0 CBADMP CN(CC[NH2+]Cc1ncnn1C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317654944 817039982 /nfs/dbraw/zinc/03/99/82/817039982.db2.gz NOWJGYFAZNQCSF-GFCCVEGCSA-N 2 1 294.403 -0.295 20 0 CBADMP CN(CC[NH2+]Cc1ncnn1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317655175 817040960 /nfs/dbraw/zinc/04/09/60/817040960.db2.gz NOWJGYFAZNQCSF-LBPRGKRZSA-N 2 1 294.403 -0.295 20 0 CBADMP CN(CC[NH2+]Cc1ncnn1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317655175 817040963 /nfs/dbraw/zinc/04/09/63/817040963.db2.gz NOWJGYFAZNQCSF-LBPRGKRZSA-N 2 1 294.403 -0.295 20 0 CBADMP CCn1nncc1C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317661580 817041604 /nfs/dbraw/zinc/04/16/04/817041604.db2.gz OOHSAEXYAAFDEB-GFCCVEGCSA-N 2 1 294.403 -0.202 20 0 CBADMP CN(CC[NH2+]CCn1cccn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317661078 817043143 /nfs/dbraw/zinc/04/31/43/817043143.db2.gz HRKGHMSQVKOHRO-ZDUSSCGKSA-N 2 1 279.388 -0.117 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCOCCO)C2)C1 ZINC001318275565 817093635 /nfs/dbraw/zinc/09/36/35/817093635.db2.gz BDVCOFBYKBBPKY-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCOCCO)C2)C1 ZINC001318275565 817093639 /nfs/dbraw/zinc/09/36/39/817093639.db2.gz BDVCOFBYKBBPKY-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)C1 ZINC001318275565 817093641 /nfs/dbraw/zinc/09/36/41/817093641.db2.gz BDVCOFBYKBBPKY-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)C[NH2+]C[C@@H](C)O ZINC001319218245 817176850 /nfs/dbraw/zinc/17/68/50/817176850.db2.gz PIBNFJPECFHODN-CMPLNLGQSA-N 2 1 268.361 -0.086 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001320199360 817289327 /nfs/dbraw/zinc/28/93/27/817289327.db2.gz BMYSPEXWDJQMJX-QWHCGFSZSA-N 2 1 269.389 -0.053 20 0 CBADMP CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001320218726 817295746 /nfs/dbraw/zinc/29/57/46/817295746.db2.gz UKTGAGZDHHZJLA-NEPJUHHUSA-N 2 1 257.378 -0.054 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](O)C[NH2+]CCO)C1 ZINC001320262355 817307840 /nfs/dbraw/zinc/30/78/40/817307840.db2.gz GYPQUNUZLCZFKI-QWHCGFSZSA-N 2 1 287.404 -0.833 20 0 CBADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](O)C[NH2+]CCO)C1 ZINC001320262356 817308018 /nfs/dbraw/zinc/30/80/18/817308018.db2.gz GYPQUNUZLCZFKI-STQMWFEESA-N 2 1 287.404 -0.833 20 0 CBADMP CN1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001320999914 817425954 /nfs/dbraw/zinc/42/59/54/817425954.db2.gz WAWPHQPNJLREKR-HORCIZIBSA-N 2 1 294.399 -0.427 20 0 CBADMP CN1CC[C@H]([NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001320999916 817426405 /nfs/dbraw/zinc/42/64/05/817426405.db2.gz WAWPHQPNJLREKR-RSNNXLNZSA-N 2 1 294.399 -0.427 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NC/C=C\C[NH2+]CCO)no1 ZINC001321125964 817445115 /nfs/dbraw/zinc/44/51/15/817445115.db2.gz MTADVOUCYMJFHP-ARJAWSKDSA-N 2 1 282.344 -0.396 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)NC/C=C/C[NH2+]CCO)no1 ZINC001321125965 817445340 /nfs/dbraw/zinc/44/53/40/817445340.db2.gz MTADVOUCYMJFHP-ONEGZZNKSA-N 2 1 282.344 -0.396 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CCN(C=O)CC2)C1 ZINC001321282018 817473195 /nfs/dbraw/zinc/47/31/95/817473195.db2.gz HMCZYXLLWQYRMA-CYBMUJFWSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+](C)CC1CCC(NC(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001221402629 825182501 /nfs/dbraw/zinc/18/25/01/825182501.db2.gz KEBGICWLDUKCQA-MCIGGMRASA-N 3 1 256.394 -0.101 20 0 CBADMP O[C@@H](CN1CC[NH2+]C[C@]12CC[NH2+]C2)C(F)(F)F ZINC001246032641 825628468 /nfs/dbraw/zinc/62/84/68/825628468.db2.gz ZEMVFGCQLMIAJT-DTWKUNHWSA-N 2 1 253.268 -0.453 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC2(C[NH2+]CCCO)CC2)C1 ZINC001163940141 819870841 /nfs/dbraw/zinc/87/08/41/819870841.db2.gz JGGPPMAFBPCMFO-CYBMUJFWSA-N 2 1 299.415 -0.425 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCCC2(C[NH2+]CCCO)CC2)C1 ZINC001163940141 819870854 /nfs/dbraw/zinc/87/08/54/819870854.db2.gz JGGPPMAFBPCMFO-CYBMUJFWSA-N 2 1 299.415 -0.425 20 0 CBADMP O=S1(=O)C=C[C@@H](Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC001164008602 819878747 /nfs/dbraw/zinc/87/87/47/819878747.db2.gz TZMUVMBVEDKOMR-SNVBAGLBSA-N 2 1 295.368 -0.391 20 0 CBADMP [NH3+]C1CCN(c2cc[nH+]c(N3CCOC[C@H](O)C3)n2)CC1 ZINC001164511791 819917933 /nfs/dbraw/zinc/91/79/33/819917933.db2.gz NPCBRPGQESSKBC-GFCCVEGCSA-N 2 1 293.371 -0.398 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCO)C1 ZINC001164536693 819922457 /nfs/dbraw/zinc/92/24/57/819922457.db2.gz WEVPKHLPUCRQOZ-LBPRGKRZSA-N 2 1 273.377 -0.816 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CCO)CC[N@H+]1C ZINC001164576348 819932178 /nfs/dbraw/zinc/93/21/78/819932178.db2.gz AYQUIPPONBONNM-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP NC(=O)[C@H]1CN(c2ncccc2C[NH+]2CCCC2)CC[NH2+]1 ZINC001165072905 819935344 /nfs/dbraw/zinc/93/53/44/819935344.db2.gz SSCDXZCGZSJBGA-CYBMUJFWSA-N 2 1 289.383 -0.059 20 0 CBADMP C[NH+]1CCN(c2nccc(N3CCO[C@@H](C[NH3+])C3)n2)CC1 ZINC001165120932 819940105 /nfs/dbraw/zinc/94/01/05/819940105.db2.gz WDAXOPCJPXJHNN-LBPRGKRZSA-N 2 1 292.387 -0.608 20 0 CBADMP CO[C@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)C[C@@H]1[NH3+] ZINC001165204393 819942431 /nfs/dbraw/zinc/94/24/31/819942431.db2.gz HOZRMEBJDRCYIV-RYUDHWBXSA-N 2 1 292.387 -0.609 20 0 CBADMP Nc1nc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)cc[nH+]1 ZINC001165341340 819956080 /nfs/dbraw/zinc/95/60/80/819956080.db2.gz KJSAPOPFFTXVDH-ZDUSSCGKSA-N 2 1 279.344 -0.356 20 0 CBADMP [NH3+][C@H]1[C@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@@H]12 ZINC001165382594 819960330 /nfs/dbraw/zinc/96/03/30/819960330.db2.gz UCJVMQVJPJDXQG-PEGIJTEDSA-N 2 1 261.329 -0.294 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CCO)CC2)O1 ZINC001165727642 819982183 /nfs/dbraw/zinc/98/21/83/819982183.db2.gz FKAPXJRUDDIRQS-CHWSQXEVSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CCO)CC2)O1 ZINC001165727642 819982190 /nfs/dbraw/zinc/98/21/90/819982190.db2.gz FKAPXJRUDDIRQS-CHWSQXEVSA-N 2 1 299.415 -0.426 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166627115 820009233 /nfs/dbraw/zinc/00/92/33/820009233.db2.gz QGBOHSCJJFQEBP-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1ncnn1C ZINC001166633629 820009359 /nfs/dbraw/zinc/00/93/59/820009359.db2.gz IWZIRPHGWYAHBP-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166627179 820010095 /nfs/dbraw/zinc/01/00/95/820010095.db2.gz RNHLNXKYTXYUTC-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP COC[C@H](O)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166627635 820010820 /nfs/dbraw/zinc/01/08/20/820010820.db2.gz XXQVGEVQOIZEBW-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166668214 820012904 /nfs/dbraw/zinc/01/29/04/820012904.db2.gz VRWXUOBSYHZPPG-GFCCVEGCSA-N 2 1 284.404 -0.440 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001166677801 820013240 /nfs/dbraw/zinc/01/32/40/820013240.db2.gz NKESSIQMJYXAGQ-CHWSQXEVSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C(N)=O ZINC001166676648 820013602 /nfs/dbraw/zinc/01/36/02/820013602.db2.gz AJUDTIDPJQPVPF-WDEREUQCSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CCOCCO)C1 ZINC001166677962 820013678 /nfs/dbraw/zinc/01/36/78/820013678.db2.gz REFQJWLKYLNAED-ZDUSSCGKSA-N 2 1 287.404 -0.567 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CCOCCO)C1 ZINC001166677961 820014205 /nfs/dbraw/zinc/01/42/05/820014205.db2.gz REFQJWLKYLNAED-CYBMUJFWSA-N 2 1 287.404 -0.567 20 0 CBADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166694034 820015801 /nfs/dbraw/zinc/01/58/01/820015801.db2.gz UUCZZXJBZVLHPS-WDEREUQCSA-N 2 1 270.377 -0.974 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001166678938 820016192 /nfs/dbraw/zinc/01/61/92/820016192.db2.gz ZLIFDQHHMYFQLQ-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP COCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166695068 820016273 /nfs/dbraw/zinc/01/62/73/820016273.db2.gz ZSTVLLVDXNGHQL-RYUDHWBXSA-N 2 1 257.378 -0.074 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001166707988 820018131 /nfs/dbraw/zinc/01/81/31/820018131.db2.gz LEOPFPLFISNYAR-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166707961 820019423 /nfs/dbraw/zinc/01/94/23/820019423.db2.gz KSQISNQKSQAYJU-OLZOCXBDSA-N 2 1 298.431 -0.195 20 0 CBADMP NC(=O)[C@H]1CN(c2cc(N3CCCC3)cc[nH+]2)CC[NH2+]1 ZINC001166724794 820025691 /nfs/dbraw/zinc/02/56/91/820025691.db2.gz GAUJGCMZQJQGPC-GFCCVEGCSA-N 2 1 275.356 -0.055 20 0 CBADMP NC(=O)[C@@H]1CN(c2nccc(C3CC[NH2+]CC3)n2)CC[NH2+]1 ZINC001166725133 820029528 /nfs/dbraw/zinc/02/95/28/820029528.db2.gz JBPZDRQSDFZWSZ-LBPRGKRZSA-N 2 1 290.371 -0.793 20 0 CBADMP C[C@H]([NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1)C(N)=O ZINC001166744205 820035110 /nfs/dbraw/zinc/03/51/10/820035110.db2.gz LXSJGDSBXCHQHE-NSHDSACASA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@@H]([NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1)C(N)=O ZINC001166744204 820035845 /nfs/dbraw/zinc/03/58/45/820035845.db2.gz LXSJGDSBXCHQHE-LLVKDONJSA-N 2 1 284.404 -0.312 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167236107 820076799 /nfs/dbraw/zinc/07/67/99/820076799.db2.gz HVGLBJMAMZXZBS-NWDGAFQWSA-N 2 1 296.415 -0.455 20 0 CBADMP N=c1cc(C[NH3+])ncn1-c1nccnc1N1CC[NH2+]CC1 ZINC001167347870 820081028 /nfs/dbraw/zinc/08/10/28/820081028.db2.gz GDNDMFYRJAMSKH-UHFFFAOYSA-N 2 1 286.343 -0.990 20 0 CBADMP C[NH+]1CCN(c2cc(-n3ccc(C[NH3+])cc3=N)ncn2)CC1 ZINC001167690630 820111632 /nfs/dbraw/zinc/11/16/32/820111632.db2.gz IPJFLJVBXWVTJB-UHFFFAOYSA-N 2 1 299.382 -0.043 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001167736903 820113692 /nfs/dbraw/zinc/11/36/92/820113692.db2.gz LJWIFYVKAUPUMA-LBPRGKRZSA-N 2 1 296.415 -0.310 20 0 CBADMP Cc1[nH+]ccn1-c1cncc(-n2nnc(CC[NH3+])n2)n1 ZINC001167790660 820119309 /nfs/dbraw/zinc/11/93/09/820119309.db2.gz NWVWPOACAIPMFC-UHFFFAOYSA-N 2 1 271.288 -0.552 20 0 CBADMP [NH3+]CCc1nnn(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)n1 ZINC001167791120 820119478 /nfs/dbraw/zinc/11/94/78/820119478.db2.gz RXHOQKVLHOWPRK-UHFFFAOYSA-N 3 1 284.327 -0.502 20 0 CBADMP [NH2+]=C(NCCCC[NH3+])Nc1ncc2c(n1)CNCC2 ZINC001167879126 820125246 /nfs/dbraw/zinc/12/52/46/820125246.db2.gz YRBIHHZEADSMMG-UHFFFAOYSA-N 2 1 263.349 -0.203 20 0 CBADMP [NH2+]=C(NCCCC[NH3+])Nc1ncnc2c1CNCC2 ZINC001167879152 820125607 /nfs/dbraw/zinc/12/56/07/820125607.db2.gz GWGNLOBHAIACBQ-UHFFFAOYSA-N 2 1 263.349 -0.203 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCO[C@H](C)C1 ZINC001168081649 820143678 /nfs/dbraw/zinc/14/36/78/820143678.db2.gz YWDMAYVCBWIEPV-MXWKQRLJSA-N 2 1 286.376 -0.052 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC2(C[NH2+]CCO)CC2)C1 ZINC001168146424 820145117 /nfs/dbraw/zinc/14/51/17/820145117.db2.gz HVSYGHKBWHBVJM-GFCCVEGCSA-N 2 1 269.389 -0.194 20 0 CBADMP [NH3+]Cc1ncn(-c2cnc(O[C@@H]3CC[NH2+]C3)nc2)n1 ZINC001168754582 820174586 /nfs/dbraw/zinc/17/45/86/820174586.db2.gz RPIXRWHSLFLTMF-SECBINFHSA-N 2 1 261.289 -0.743 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108309 820209052 /nfs/dbraw/zinc/20/90/52/820209052.db2.gz QWSMMXQPBQRZTP-JGPRNRPPSA-N 2 1 269.345 -0.510 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108309 820209065 /nfs/dbraw/zinc/20/90/65/820209065.db2.gz QWSMMXQPBQRZTP-JGPRNRPPSA-N 2 1 269.345 -0.510 20 0 CBADMP CC(=O)N1CCC[C@@H]([NH2+]CCC[NH+](CCO)CCO)C1 ZINC001169573159 820256506 /nfs/dbraw/zinc/25/65/06/820256506.db2.gz CBGIWRUDBVVUKK-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP C[C@@H](CCCC[NH2+]CCO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169991263 820272030 /nfs/dbraw/zinc/27/20/30/820272030.db2.gz MLMQPPMHBYFIAZ-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP C[C@@H](CCCC[NH2+]CCO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169991263 820272038 /nfs/dbraw/zinc/27/20/38/820272038.db2.gz MLMQPPMHBYFIAZ-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001170211974 820280105 /nfs/dbraw/zinc/28/01/05/820280105.db2.gz UMMYWBRYBSMMHZ-UHFFFAOYSA-N 2 1 284.404 -0.344 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170212425 820280270 /nfs/dbraw/zinc/28/02/70/820280270.db2.gz YGEZSVDMYWWAOI-UHFFFAOYSA-N 2 1 286.420 -0.098 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001170211940 820281059 /nfs/dbraw/zinc/28/10/59/820281059.db2.gz SGEDJFOMFUWYSJ-UHFFFAOYSA-N 2 1 283.380 -0.852 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001170222464 820281855 /nfs/dbraw/zinc/28/18/55/820281855.db2.gz KIPHJOWTERTLKF-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170512190 820296673 /nfs/dbraw/zinc/29/66/73/820296673.db2.gz IHZTVCDSMGJSHN-OPRDCNLKSA-N 2 1 258.318 -0.334 20 0 CBADMP COC(=O)c1c[nH+]ccc1NCCOCCOCC[NH3+] ZINC001170513402 820298344 /nfs/dbraw/zinc/29/83/44/820298344.db2.gz XSYZLXLCQJSYTO-UHFFFAOYSA-N 2 1 283.328 -0.306 20 0 CBADMP OC[C@H]1C[NH2+]C[C@@H]1Nc1nc(Cl)nc2c1C[NH2+]C2 ZINC001170771032 820314533 /nfs/dbraw/zinc/31/45/33/820314533.db2.gz AJZMEBSSZJURPB-SVRRBLITSA-N 2 1 269.736 -0.275 20 0 CBADMP C[NH+]1CCN(c2cc(N[C@@H]3C[NH2+]C[C@H]3CO)ncn2)CC1 ZINC001170777464 820319116 /nfs/dbraw/zinc/31/91/16/820319116.db2.gz QKBKOKQTVJOYAQ-NWDGAFQWSA-N 2 1 292.387 -0.779 20 0 CBADMP COC(=O)[C@@H]([NH3+])Cc1ccc(N[C@@H]2C[NH2+]C[C@H]2CO)cc1 ZINC001170778329 820321367 /nfs/dbraw/zinc/32/13/67/820321367.db2.gz LINWQFWWEXESIC-FPMFFAJLSA-N 2 1 293.367 -0.278 20 0 CBADMP Cc1[nH+]ccn1-c1cncc(N[C@H]2C[NH2+]C[C@H]2CO)n1 ZINC001170780730 820321763 /nfs/dbraw/zinc/32/17/63/820321763.db2.gz UVPQWBDTAIYIQO-QWRGUYRKSA-N 2 1 274.328 -0.037 20 0 CBADMP [NH3+]C1CCN(c2nc(N[C@H]3C[NH2+]C[C@H]3CO)cc[nH+]2)CC1 ZINC001170779884 820322660 /nfs/dbraw/zinc/32/26/60/820322660.db2.gz YZRKSTYMLUKVOT-JQWIXIFHSA-N 3 1 292.387 -0.604 20 0 CBADMP C[C@H]1CN(c2ccc(N[C@H](N)CCC[NH3+])nn2)CC[NH2+]1 ZINC001170897100 820333737 /nfs/dbraw/zinc/33/37/37/820333737.db2.gz DBTHOJBGXNNAFL-QWRGUYRKSA-N 2 1 279.392 -0.290 20 0 CBADMP N[C@@H](CCC[NH3+])Nc1cncc(N2CCC([NH3+])CC2)n1 ZINC001170899479 820334316 /nfs/dbraw/zinc/33/43/16/820334316.db2.gz ZEHORAMGJGBEIN-LLVKDONJSA-N 2 1 279.392 -0.160 20 0 CBADMP C[NH+]1CCN(c2cc(N[C@H]([NH3+])CCC[NH3+])ncn2)CC1 ZINC001170898890 820336477 /nfs/dbraw/zinc/33/64/77/820336477.db2.gz RGILBAPLTFNXMX-NSHDSACASA-N 3 1 279.392 -0.336 20 0 CBADMP Cc1noc(C[NH2+]CCCNC(=O)COCC[NH+](C)C)n1 ZINC001171198610 820349228 /nfs/dbraw/zinc/34/92/28/820349228.db2.gz QHYAOBBOHMOOJM-UHFFFAOYSA-N 2 1 299.375 -0.448 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CCCO)C1 ZINC001171227598 820350930 /nfs/dbraw/zinc/35/09/30/820350930.db2.gz QDRBYZSFWDNPED-LBPRGKRZSA-N 2 1 257.378 -0.194 20 0 CBADMP C[C@H](O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171227295 820352523 /nfs/dbraw/zinc/35/25/23/820352523.db2.gz NIUHNJWMMIRZFW-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CCOCCO)C1 ZINC001171228700 820352588 /nfs/dbraw/zinc/35/25/88/820352588.db2.gz UJVIXZDXVMZBSR-ZDUSSCGKSA-N 2 1 287.404 -0.567 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001171757962 820368615 /nfs/dbraw/zinc/36/86/15/820368615.db2.gz QURMVASMVDCPBW-UHFFFAOYSA-N 2 1 293.433 -0.531 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001171762587 820368818 /nfs/dbraw/zinc/36/88/18/820368818.db2.gz HBNCGKVDWZUDQB-LLVKDONJSA-N 2 1 270.377 -0.687 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001171770424 820369903 /nfs/dbraw/zinc/36/99/03/820369903.db2.gz QQWYYUOEHOCPRW-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001171726039 820370323 /nfs/dbraw/zinc/37/03/23/820370323.db2.gz UUNIWMOGXIXBRY-NSHDSACASA-N 2 1 272.393 -0.312 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NS(=O)(=O)CC[NH3+])C2 ZINC001172100225 820382241 /nfs/dbraw/zinc/38/22/41/820382241.db2.gz BKDMNQXNDGMCEZ-RTCCRHLQSA-N 2 1 261.391 -0.120 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118888 820382498 /nfs/dbraw/zinc/38/24/98/820382498.db2.gz UEHRVQJUPIFIOM-CNDDSTCGSA-N 2 1 283.372 -0.120 20 0 CBADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001172244079 820392376 /nfs/dbraw/zinc/39/23/76/820392376.db2.gz ZCHQIVNMDBLFIC-GFCCVEGCSA-N 2 1 255.362 -0.035 20 0 CBADMP CC1(C)C[C@H]([NH2+]CCC[NH+](CCO)CCO)CO1 ZINC001172269753 820393872 /nfs/dbraw/zinc/39/38/72/820393872.db2.gz GSYBCJISUQEXDN-LBPRGKRZSA-N 2 1 260.378 -0.180 20 0 CBADMP [NH3+]CC[N@H+](CCO)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173732393 820408412 /nfs/dbraw/zinc/40/84/12/820408412.db2.gz ZIOOBPKNSSJTEZ-WDEREUQCSA-N 2 1 254.338 -0.590 20 0 CBADMP [NH3+]CC[N@@H+](CCO)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173732393 820408417 /nfs/dbraw/zinc/40/84/17/820408417.db2.gz ZIOOBPKNSSJTEZ-WDEREUQCSA-N 2 1 254.338 -0.590 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CCn2cccn2)C1 ZINC001176058441 820437595 /nfs/dbraw/zinc/43/75/95/820437595.db2.gz XKKCRHCGCFIHQY-ZDUSSCGKSA-N 2 1 279.388 -0.069 20 0 CBADMP Cn1ncc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001176058420 820437665 /nfs/dbraw/zinc/43/76/65/820437665.db2.gz XEIPJLUAXANAJT-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP Cn1cnnc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176070954 820438211 /nfs/dbraw/zinc/43/82/11/820438211.db2.gz AJPMSEQGXGLIHL-LLVKDONJSA-N 2 1 280.376 -0.637 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001176071445 820438718 /nfs/dbraw/zinc/43/87/18/820438718.db2.gz DGLGVJDWACACPR-NSHDSACASA-N 2 1 282.388 -0.687 20 0 CBADMP CCn1ncnc1C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176071590 820438990 /nfs/dbraw/zinc/43/89/90/820438990.db2.gz GGCCHBOZFXTKGJ-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP Cc1noc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001176071661 820439004 /nfs/dbraw/zinc/43/90/04/820439004.db2.gz HONBTZZPTGBZKE-LLVKDONJSA-N 2 1 281.360 -0.074 20 0 CBADMP Cc1noc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001176071661 820439009 /nfs/dbraw/zinc/43/90/09/820439009.db2.gz HONBTZZPTGBZKE-LLVKDONJSA-N 2 1 281.360 -0.074 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCCO)C1 ZINC001176637096 820454309 /nfs/dbraw/zinc/45/43/09/820454309.db2.gz XNTFITZIRCRTEY-LBPRGKRZSA-N 2 1 273.377 -0.815 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCCO)C1 ZINC001176637096 820454315 /nfs/dbraw/zinc/45/43/15/820454315.db2.gz XNTFITZIRCRTEY-LBPRGKRZSA-N 2 1 273.377 -0.815 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCF)C1 ZINC001176644637 820454514 /nfs/dbraw/zinc/45/45/14/820454514.db2.gz ZOVFJBOWNUIUEK-LLVKDONJSA-N 2 1 261.341 -0.228 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCF)C1 ZINC001176644637 820454516 /nfs/dbraw/zinc/45/45/16/820454516.db2.gz ZOVFJBOWNUIUEK-LLVKDONJSA-N 2 1 261.341 -0.228 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001176972214 820484946 /nfs/dbraw/zinc/48/49/46/820484946.db2.gz QYUQUMAYEFZCQZ-UHFFFAOYSA-N 2 1 299.419 -0.552 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001176971799 820485469 /nfs/dbraw/zinc/48/54/69/820485469.db2.gz IKWWIHWMIRYAFE-NSHDSACASA-N 2 1 298.387 -0.772 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001178356804 820576607 /nfs/dbraw/zinc/57/66/07/820576607.db2.gz RWTZSPDLVOVPJE-AVGNSLFASA-N 2 1 296.415 -0.252 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001178700791 820595366 /nfs/dbraw/zinc/59/53/66/820595366.db2.gz BAWGEWGKCZRCIM-SNVBAGLBSA-N 2 1 288.352 -0.865 20 0 CBADMP C[N@@H+]1CCCC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001178697971 820596376 /nfs/dbraw/zinc/59/63/76/820596376.db2.gz RYNZLRCZBYZWLS-JTQLQIEISA-N 3 1 255.366 -0.068 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001178697971 820596380 /nfs/dbraw/zinc/59/63/80/820596380.db2.gz RYNZLRCZBYZWLS-JTQLQIEISA-N 3 1 255.366 -0.068 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178730994 820597764 /nfs/dbraw/zinc/59/77/64/820597764.db2.gz JCILVGYBHKDFQF-XQHKEYJVSA-N 2 1 296.415 -0.348 20 0 CBADMP C[NH+]1CCN(CC(=O)N2C[C@H]3CCC[N@H+](C)[C@H]3C2)CC1 ZINC001178951600 820609125 /nfs/dbraw/zinc/60/91/25/820609125.db2.gz BVFNJPUSHRHWCQ-KGLIPLIRSA-N 2 1 280.416 -0.214 20 0 CBADMP C[NH+]1CCN(CC(=O)N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)CC1 ZINC001178951600 820609133 /nfs/dbraw/zinc/60/91/33/820609133.db2.gz BVFNJPUSHRHWCQ-KGLIPLIRSA-N 2 1 280.416 -0.214 20 0 CBADMP C[NH+]1CCN(CC(=O)N(CC[NH3+])c2cccnc2)CC1 ZINC001178953872 820610760 /nfs/dbraw/zinc/61/07/60/820610760.db2.gz RZOWLDRCNUDRQI-UHFFFAOYSA-N 2 1 277.372 -0.379 20 0 CBADMP COCCC1([NH3+])CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC001178956617 820612246 /nfs/dbraw/zinc/61/22/46/820612246.db2.gz XWROHHLSUWSFFR-UHFFFAOYSA-N 2 1 298.431 -0.410 20 0 CBADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN1CC[NH+](C)CC1 ZINC001178956396 820612314 /nfs/dbraw/zinc/61/23/14/820612314.db2.gz RAGNEWCEBVJBFZ-UHFFFAOYSA-N 3 1 298.435 -0.702 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001179861066 820643906 /nfs/dbraw/zinc/64/39/06/820643906.db2.gz JXMIZYFZWNSJBD-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124380 820650437 /nfs/dbraw/zinc/65/04/37/820650437.db2.gz IKASLLFEXDBKJZ-FQUUOJAGSA-N 2 1 299.415 -0.476 20 0 CBADMP NC(=O)C1CC[NH+](CCC(=O)N2CC[N@H+]3CC[C@H]3C2)CC1 ZINC001180611324 820699653 /nfs/dbraw/zinc/69/96/53/820699653.db2.gz ZUKVXEXOPZALLB-ZDUSSCGKSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)C3(O)CC[NH+](C)CC3)C[C@H]2C1 ZINC001182031489 820852090 /nfs/dbraw/zinc/85/20/90/820852090.db2.gz AYXHSSNKAVULGC-TXEJJXNPSA-N 2 1 267.373 -0.537 20 0 CBADMP C[NH+]1CCC(O)(C(=O)NC2CC[NH+](CCF)CC2)CC1 ZINC001182036867 820857812 /nfs/dbraw/zinc/85/78/12/820857812.db2.gz ZVSXYXUAMSTFOO-UHFFFAOYSA-N 2 1 287.379 -0.007 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001183039900 820968225 /nfs/dbraw/zinc/96/82/25/820968225.db2.gz KRZFDEMKPBFKSV-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)C1CCC1 ZINC001183288309 820987999 /nfs/dbraw/zinc/98/79/99/820987999.db2.gz CJOKJMMDLZRYQS-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183289427 820989365 /nfs/dbraw/zinc/98/93/65/820989365.db2.gz XMSAVXPEGUIDQQ-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183289450 820989478 /nfs/dbraw/zinc/98/94/78/820989478.db2.gz YLGSPMZEYRGSCE-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001183392483 820993266 /nfs/dbraw/zinc/99/32/66/820993266.db2.gz WWGUQLRRFULWFO-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)O1 ZINC001183580990 821007949 /nfs/dbraw/zinc/00/79/49/821007949.db2.gz CDOJHOFUNFZEJT-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)O1 ZINC001183580990 821007959 /nfs/dbraw/zinc/00/79/59/821007959.db2.gz CDOJHOFUNFZEJT-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001183759160 821032509 /nfs/dbraw/zinc/03/25/09/821032509.db2.gz FAQZEQCIIWWZTF-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH+](C)Cc1cc(C(=O)N2CC[C@@H]([NH2+]CCCO)C2)no1 ZINC001183834905 821034574 /nfs/dbraw/zinc/03/45/74/821034574.db2.gz HZVPLYDOOGVUOO-LLVKDONJSA-N 2 1 296.371 -0.077 20 0 CBADMP Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001185248766 821110170 /nfs/dbraw/zinc/11/01/70/821110170.db2.gz KRLPVIMVBOVJDQ-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+]2CC[C@H]2C1 ZINC001185256251 821111598 /nfs/dbraw/zinc/11/15/98/821111598.db2.gz CWCIMXAYAVGDJV-NWDGAFQWSA-N 2 1 252.362 -0.851 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001185256251 821111601 /nfs/dbraw/zinc/11/16/01/821111601.db2.gz CWCIMXAYAVGDJV-NWDGAFQWSA-N 2 1 252.362 -0.851 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001185256251 821111607 /nfs/dbraw/zinc/11/16/07/821111607.db2.gz CWCIMXAYAVGDJV-NWDGAFQWSA-N 2 1 252.362 -0.851 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[NH+]2CC[C@@H]2C1 ZINC001185256241 821113010 /nfs/dbraw/zinc/11/30/10/821113010.db2.gz CWCIMXAYAVGDJV-NEPJUHHUSA-N 2 1 252.362 -0.851 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001185256241 821113012 /nfs/dbraw/zinc/11/30/12/821113012.db2.gz CWCIMXAYAVGDJV-NEPJUHHUSA-N 2 1 252.362 -0.851 20 0 CBADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001185256241 821113016 /nfs/dbraw/zinc/11/30/16/821113016.db2.gz CWCIMXAYAVGDJV-NEPJUHHUSA-N 2 1 252.362 -0.851 20 0 CBADMP CN1CC[N@H+](C)C[C@@H]1C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001185258342 821115028 /nfs/dbraw/zinc/11/50/28/821115028.db2.gz SGRQZNZHLFUGJR-GFCCVEGCSA-N 2 1 290.371 -0.973 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001185258342 821115030 /nfs/dbraw/zinc/11/50/30/821115030.db2.gz SGRQZNZHLFUGJR-GFCCVEGCSA-N 2 1 290.371 -0.973 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)Nc1cccnc1C[NH3+] ZINC001185267052 821119574 /nfs/dbraw/zinc/11/95/74/821119574.db2.gz LPALYAOKAKMNRK-LBPRGKRZSA-N 2 1 263.345 -0.275 20 0 CBADMP CCn1ncnc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408007 821129217 /nfs/dbraw/zinc/12/92/17/821129217.db2.gz JTGCJPAVRJDRMT-GFCCVEGCSA-N 2 1 294.403 -0.060 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185546816 821134847 /nfs/dbraw/zinc/13/48/47/821134847.db2.gz DNJHDUSQFYOHRA-CHWSQXEVSA-N 2 1 298.431 -0.112 20 0 CBADMP CN(CC1CC[NH+](C)CC1)C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186036656 821153666 /nfs/dbraw/zinc/15/36/66/821153666.db2.gz BPXFGCRKDFHQHH-CYBMUJFWSA-N 2 1 269.389 -0.147 20 0 CBADMP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001186044374 821157081 /nfs/dbraw/zinc/15/70/81/821157081.db2.gz GDUGIZWXIINDAT-KGLIPLIRSA-N 2 1 297.399 -0.624 20 0 CBADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001186044374 821157085 /nfs/dbraw/zinc/15/70/85/821157085.db2.gz GDUGIZWXIINDAT-KGLIPLIRSA-N 2 1 297.399 -0.624 20 0 CBADMP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186056065 821164576 /nfs/dbraw/zinc/16/45/76/821164576.db2.gz BONVZBGOEZHZCE-LSDHHAIUSA-N 2 1 289.379 -0.035 20 0 CBADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001186364616 821180621 /nfs/dbraw/zinc/18/06/21/821180621.db2.gz SJLHVWYRMZXBDA-NSHDSACASA-N 2 1 271.361 -0.321 20 0 CBADMP COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186366907 821180682 /nfs/dbraw/zinc/18/06/82/821180682.db2.gz CEYUXYQPDXCLSA-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001186824672 821198257 /nfs/dbraw/zinc/19/82/57/821198257.db2.gz FIRNRASTXXJQSQ-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187106506 821213139 /nfs/dbraw/zinc/21/31/39/821213139.db2.gz IRVDIJAPPVEBTI-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N(CCO)CC[NH2+]CCO ZINC001279737199 828336842 /nfs/dbraw/zinc/33/68/42/828336842.db2.gz IPQZDWJEVFNUSE-KGLIPLIRSA-N 2 1 299.415 -0.594 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001280651632 828369645 /nfs/dbraw/zinc/36/96/45/828369645.db2.gz KURWJQXTVUYFNU-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001187322662 822268016 /nfs/dbraw/zinc/26/80/16/822268016.db2.gz QYNCYJPBOIXKRO-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001187323028 822268187 /nfs/dbraw/zinc/26/81/87/822268187.db2.gz UXYATIZWMOEDPY-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187826354 822297545 /nfs/dbraw/zinc/29/75/45/822297545.db2.gz XZMPPCAULNNGMO-XQQFMLRXSA-N 2 1 285.388 -0.864 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001187825674 822298598 /nfs/dbraw/zinc/29/85/98/822298598.db2.gz QCVMAJZHGJLEEB-WCQYABFASA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CCO)CCOCC2)C1 ZINC001281280444 828412358 /nfs/dbraw/zinc/41/23/58/828412358.db2.gz QLPLAOPYZYGPBG-CYBMUJFWSA-N 2 1 299.415 -0.425 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187843090 822301600 /nfs/dbraw/zinc/30/16/00/822301600.db2.gz UAJBZCUTXJDNKC-CMPLNLGQSA-N 2 1 293.371 -0.483 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001188139077 822321618 /nfs/dbraw/zinc/32/16/18/822321618.db2.gz HTHWHHLAVATRFF-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001281603409 828420985 /nfs/dbraw/zinc/42/09/85/828420985.db2.gz MOQNRAXLDSIAHU-GFCCVEGCSA-N 2 1 285.388 -0.984 20 0 CBADMP C[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001282478403 828449377 /nfs/dbraw/zinc/44/93/77/828449377.db2.gz QJQFBYRZFBUCGE-NWDGAFQWSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CCO)C1 ZINC001283100992 828496929 /nfs/dbraw/zinc/49/69/29/828496929.db2.gz BHWYNTSYDPXWQC-HAQNSBGRSA-N 2 1 257.378 -0.195 20 0 CBADMP C[C@@H](CCC[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283279712 828511954 /nfs/dbraw/zinc/51/19/54/828511954.db2.gz YPIQBCUBAOKXCT-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001283797376 828549320 /nfs/dbraw/zinc/54/93/20/828549320.db2.gz MYMJQUSCCSLFSP-SDDRHHMPSA-N 2 1 257.378 -0.197 20 0 CBADMP COCC[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001283806037 828551438 /nfs/dbraw/zinc/55/14/38/828551438.db2.gz URYGDPYTCAWIPK-RYUDHWBXSA-N 2 1 273.377 -0.959 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189040917 823730561 /nfs/dbraw/zinc/73/05/61/823730561.db2.gz JQRXAVACAJCXRL-RWMBFGLXSA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189401323 823753133 /nfs/dbraw/zinc/75/31/33/823753133.db2.gz VBRQEJXOXRVJBA-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189401323 823753136 /nfs/dbraw/zinc/75/31/36/823753136.db2.gz VBRQEJXOXRVJBA-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189401323 823753137 /nfs/dbraw/zinc/75/31/37/823753137.db2.gz VBRQEJXOXRVJBA-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189391363 823753915 /nfs/dbraw/zinc/75/39/15/823753915.db2.gz XOTVGIIKIWTSFU-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCOCCO)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189391363 823753920 /nfs/dbraw/zinc/75/39/20/823753920.db2.gz XOTVGIIKIWTSFU-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP C[NH+](CCOCCO)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189391363 823753923 /nfs/dbraw/zinc/75/39/23/823753923.db2.gz XOTVGIIKIWTSFU-ZIAGYGMSSA-N 2 1 299.415 -0.378 20 0 CBADMP CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517928 823764431 /nfs/dbraw/zinc/76/44/31/823764431.db2.gz WWIRNUFAIHLCFY-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517928 823764436 /nfs/dbraw/zinc/76/44/36/823764436.db2.gz WWIRNUFAIHLCFY-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189517928 823764443 /nfs/dbraw/zinc/76/44/43/823764443.db2.gz WWIRNUFAIHLCFY-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189517928 823764447 /nfs/dbraw/zinc/76/44/47/823764447.db2.gz WWIRNUFAIHLCFY-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001189660131 823770664 /nfs/dbraw/zinc/77/06/64/823770664.db2.gz OXLOOPMPIKKYHU-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001189660131 823770670 /nfs/dbraw/zinc/77/06/70/823770670.db2.gz OXLOOPMPIKKYHU-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001189660131 823770675 /nfs/dbraw/zinc/77/06/75/823770675.db2.gz OXLOOPMPIKKYHU-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001189660131 823770680 /nfs/dbraw/zinc/77/06/80/823770680.db2.gz OXLOOPMPIKKYHU-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189810779 823775559 /nfs/dbraw/zinc/77/55/59/823775559.db2.gz HATJJVJTCIKGMU-HZSPNIEDSA-N 2 1 299.415 -0.522 20 0 CBADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001189890685 823785183 /nfs/dbraw/zinc/78/51/83/823785183.db2.gz HASORGUJWYZPIK-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001189890685 823785175 /nfs/dbraw/zinc/78/51/75/823785175.db2.gz HASORGUJWYZPIK-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001189890685 823785178 /nfs/dbraw/zinc/78/51/78/823785178.db2.gz HASORGUJWYZPIK-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001189890685 823785181 /nfs/dbraw/zinc/78/51/81/823785181.db2.gz HASORGUJWYZPIK-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190898535 823858425 /nfs/dbraw/zinc/85/84/25/823858425.db2.gz DCORJQVEYPZWPP-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC)C1)[NH+](C)C ZINC001190891158 823859090 /nfs/dbraw/zinc/85/90/90/823859090.db2.gz YQVFVGMBGIQCQI-VXGBXAGGSA-N 2 1 284.404 -0.395 20 0 CBADMP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191802463 823923770 /nfs/dbraw/zinc/92/37/70/823923770.db2.gz RXDGFWIRLCOLJF-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191802463 823923782 /nfs/dbraw/zinc/92/37/82/823923782.db2.gz RXDGFWIRLCOLJF-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191802463 823923791 /nfs/dbraw/zinc/92/37/91/823923791.db2.gz RXDGFWIRLCOLJF-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191802463 823923801 /nfs/dbraw/zinc/92/38/01/823923801.db2.gz RXDGFWIRLCOLJF-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191786247 823925154 /nfs/dbraw/zinc/92/51/54/823925154.db2.gz ZQZXWBUOFAPGEV-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191786247 823925160 /nfs/dbraw/zinc/92/51/60/823925160.db2.gz ZQZXWBUOFAPGEV-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191786247 823925166 /nfs/dbraw/zinc/92/51/66/823925166.db2.gz ZQZXWBUOFAPGEV-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191786247 823925173 /nfs/dbraw/zinc/92/51/73/823925173.db2.gz ZQZXWBUOFAPGEV-JHJVBQTASA-N 2 1 285.388 -0.722 20 0 CBADMP CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152030 823952251 /nfs/dbraw/zinc/95/22/51/823952251.db2.gz CTEWTYJWFAGSAG-GFCCVEGCSA-N 2 1 284.404 -0.441 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152030 823952252 /nfs/dbraw/zinc/95/22/52/823952252.db2.gz CTEWTYJWFAGSAG-GFCCVEGCSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152373 823952936 /nfs/dbraw/zinc/95/29/36/823952936.db2.gz GMRXVDNKFMFMNP-QWRGUYRKSA-N 2 1 270.377 -0.655 20 0 CBADMP CCCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192162748 823953792 /nfs/dbraw/zinc/95/37/92/823953792.db2.gz RHRQUXIBVYTLCH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192162748 823953794 /nfs/dbraw/zinc/95/37/94/823953794.db2.gz RHRQUXIBVYTLCH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171838 823954859 /nfs/dbraw/zinc/95/48/59/823954859.db2.gz WUGFAMBAKZNGCA-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170780 823955279 /nfs/dbraw/zinc/95/52/79/823955279.db2.gz QPUGSAXSNYMRRV-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC001192171107 823955798 /nfs/dbraw/zinc/95/57/98/823955798.db2.gz UDNPKOJVTNRPQJ-ZDUSSCGKSA-N 2 1 294.403 -0.238 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192387164 823964342 /nfs/dbraw/zinc/96/43/42/823964342.db2.gz VITFOWOCTJDKTP-GFCCVEGCSA-N 2 1 298.431 -0.018 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192387164 823964352 /nfs/dbraw/zinc/96/43/52/823964352.db2.gz VITFOWOCTJDKTP-GFCCVEGCSA-N 2 1 298.431 -0.018 20 0 CBADMP C[NH+](CC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1)CC(C)(C)C ZINC001192387164 823964364 /nfs/dbraw/zinc/96/43/64/823964364.db2.gz VITFOWOCTJDKTP-GFCCVEGCSA-N 2 1 298.431 -0.018 20 0 CBADMP C[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1)CC(C)(C)C ZINC001192387164 823964372 /nfs/dbraw/zinc/96/43/72/823964372.db2.gz VITFOWOCTJDKTP-GFCCVEGCSA-N 2 1 298.431 -0.018 20 0 CBADMP C[N@H+](CCCO)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192866415 823987891 /nfs/dbraw/zinc/98/78/91/823987891.db2.gz KVXHDUFHKJGJGU-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@@H+](CCCO)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192866415 823987898 /nfs/dbraw/zinc/98/78/98/823987898.db2.gz KVXHDUFHKJGJGU-AWEZNQCLSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@H+](CCCO)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192866416 823988041 /nfs/dbraw/zinc/98/80/41/823988041.db2.gz KVXHDUFHKJGJGU-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192866416 823988048 /nfs/dbraw/zinc/98/80/48/823988048.db2.gz KVXHDUFHKJGJGU-CQSZACIVSA-N 2 1 299.415 -0.376 20 0 CBADMP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001284468887 828599623 /nfs/dbraw/zinc/59/96/23/828599623.db2.gz OZOOZMNIDHNNTP-CHWSQXEVSA-N 2 1 269.389 -0.243 20 0 CBADMP CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001284467503 828599990 /nfs/dbraw/zinc/59/99/90/828599990.db2.gz JUKYFTHTEXQGER-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001284467503 828599992 /nfs/dbraw/zinc/59/99/92/828599992.db2.gz JUKYFTHTEXQGER-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)C(N)=O)C1 ZINC001193278129 824018713 /nfs/dbraw/zinc/01/87/13/824018713.db2.gz FAOYQVWFWVTTOS-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001193278129 824018721 /nfs/dbraw/zinc/01/87/21/824018721.db2.gz FAOYQVWFWVTTOS-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001193278129 824018731 /nfs/dbraw/zinc/01/87/31/824018731.db2.gz FAOYQVWFWVTTOS-RYUDHWBXSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001193642065 824042302 /nfs/dbraw/zinc/04/23/02/824042302.db2.gz LECAFWMYZSTBTD-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193468457 824029976 /nfs/dbraw/zinc/02/99/76/824029976.db2.gz DHGVQMVKDHGKKM-LBPRGKRZSA-N 2 1 294.399 -0.639 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193468457 824029979 /nfs/dbraw/zinc/02/99/79/824029979.db2.gz DHGVQMVKDHGKKM-LBPRGKRZSA-N 2 1 294.399 -0.639 20 0 CBADMP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC(=O)NC)C1 ZINC001193600497 824036834 /nfs/dbraw/zinc/03/68/34/824036834.db2.gz DZVJBJTUBWYACV-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC(=O)NC)C1 ZINC001193600497 824036837 /nfs/dbraw/zinc/03/68/37/824036837.db2.gz DZVJBJTUBWYACV-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC)C1 ZINC001193600497 824036841 /nfs/dbraw/zinc/03/68/41/824036841.db2.gz DZVJBJTUBWYACV-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC)C1 ZINC001193600497 824036844 /nfs/dbraw/zinc/03/68/44/824036844.db2.gz DZVJBJTUBWYACV-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001193630773 824041707 /nfs/dbraw/zinc/04/17/07/824041707.db2.gz NOHQGOILUFNESW-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001193630773 824041710 /nfs/dbraw/zinc/04/17/10/824041710.db2.gz NOHQGOILUFNESW-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001193630773 824041715 /nfs/dbraw/zinc/04/17/15/824041715.db2.gz NOHQGOILUFNESW-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001193630773 824041716 /nfs/dbraw/zinc/04/17/16/824041716.db2.gz NOHQGOILUFNESW-LLVKDONJSA-N 2 1 270.377 -0.654 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001193640853 824041802 /nfs/dbraw/zinc/04/18/02/824041802.db2.gz FSLKDOIYXUNQKW-NWDGAFQWSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC001193642065 824042300 /nfs/dbraw/zinc/04/23/00/824042300.db2.gz LECAFWMYZSTBTD-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193766175 824045436 /nfs/dbraw/zinc/04/54/36/824045436.db2.gz PASIFUMQWNYQAZ-QJPTWQEYSA-N 2 1 285.388 -0.987 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774659 824045719 /nfs/dbraw/zinc/04/57/19/824045719.db2.gz SQPBDPNFNOXWMB-GHMZBOCLSA-N 2 1 255.362 -0.348 20 0 CBADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193780576 824045802 /nfs/dbraw/zinc/04/58/02/824045802.db2.gz CUFBYIXWIREKCS-JHJVBQTASA-N 2 1 285.388 -0.866 20 0 CBADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O)C1CC1 ZINC001193781752 824045858 /nfs/dbraw/zinc/04/58/58/824045858.db2.gz OODROBASSLDQDX-JHJVBQTASA-N 2 1 287.379 -0.153 20 0 CBADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001193892221 824049186 /nfs/dbraw/zinc/04/91/86/824049186.db2.gz GMIMMBZAPDTLGO-YNEHKIRRSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001193892221 824049189 /nfs/dbraw/zinc/04/91/89/824049189.db2.gz GMIMMBZAPDTLGO-YNEHKIRRSA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193892221 824049194 /nfs/dbraw/zinc/04/91/94/824049194.db2.gz GMIMMBZAPDTLGO-YNEHKIRRSA-N 2 1 285.388 -0.986 20 0 CBADMP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194011068 824055932 /nfs/dbraw/zinc/05/59/32/824055932.db2.gz OAZSRXFEJOOZMW-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194011068 824055939 /nfs/dbraw/zinc/05/59/39/824055939.db2.gz OAZSRXFEJOOZMW-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194011068 824055944 /nfs/dbraw/zinc/05/59/44/824055944.db2.gz OAZSRXFEJOOZMW-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@H](C)C(N)=O)C1 ZINC001194285964 824067942 /nfs/dbraw/zinc/06/79/42/824067942.db2.gz VWJOVTITGVHHON-NEPJUHHUSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)C(N)=O)C1 ZINC001194285964 824067945 /nfs/dbraw/zinc/06/79/45/824067945.db2.gz VWJOVTITGVHHON-NEPJUHHUSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001194285964 824067950 /nfs/dbraw/zinc/06/79/50/824067950.db2.gz VWJOVTITGVHHON-NEPJUHHUSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@@H](C)C(N)=O)C1 ZINC001194285966 824067984 /nfs/dbraw/zinc/06/79/84/824067984.db2.gz VWJOVTITGVHHON-RYUDHWBXSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001194285966 824067986 /nfs/dbraw/zinc/06/79/86/824067986.db2.gz VWJOVTITGVHHON-RYUDHWBXSA-N 2 1 284.404 -0.267 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001194285966 824067989 /nfs/dbraw/zinc/06/79/89/824067989.db2.gz VWJOVTITGVHHON-RYUDHWBXSA-N 2 1 284.404 -0.267 20 0 CBADMP CNC(=O)[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC001195307549 824110230 /nfs/dbraw/zinc/11/02/30/824110230.db2.gz SEPKILABHXDXHY-JQWIXIFHSA-N 2 1 255.362 -0.491 20 0 CBADMP CNC(=O)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC001195307549 824110234 /nfs/dbraw/zinc/11/02/34/824110234.db2.gz SEPKILABHXDXHY-JQWIXIFHSA-N 2 1 255.362 -0.491 20 0 CBADMP CNC(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC001195307549 824110235 /nfs/dbraw/zinc/11/02/35/824110235.db2.gz SEPKILABHXDXHY-JQWIXIFHSA-N 2 1 255.362 -0.491 20 0 CBADMP CNC(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC001195307549 824110238 /nfs/dbraw/zinc/11/02/38/824110238.db2.gz SEPKILABHXDXHY-JQWIXIFHSA-N 2 1 255.362 -0.491 20 0 CBADMP CNC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC001195307551 824110260 /nfs/dbraw/zinc/11/02/60/824110260.db2.gz SEPKILABHXDXHY-ZYHUDNBSSA-N 2 1 255.362 -0.491 20 0 CBADMP CNC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC001195307551 824110261 /nfs/dbraw/zinc/11/02/61/824110261.db2.gz SEPKILABHXDXHY-ZYHUDNBSSA-N 2 1 255.362 -0.491 20 0 CBADMP CNC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC001195307551 824110264 /nfs/dbraw/zinc/11/02/64/824110264.db2.gz SEPKILABHXDXHY-ZYHUDNBSSA-N 2 1 255.362 -0.491 20 0 CBADMP CNC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC001195307551 824110265 /nfs/dbraw/zinc/11/02/65/824110265.db2.gz SEPKILABHXDXHY-ZYHUDNBSSA-N 2 1 255.362 -0.491 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195676624 824127717 /nfs/dbraw/zinc/12/77/17/824127717.db2.gz GPINUXPNSQYCMZ-YNEHKIRRSA-N 2 1 299.415 -0.476 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677200 824127786 /nfs/dbraw/zinc/12/77/86/824127786.db2.gz OOLVCEMZICJIFV-GHMZBOCLSA-N 2 1 255.362 -0.491 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859366 824134202 /nfs/dbraw/zinc/13/42/02/824134202.db2.gz ICMZYMMGZHTMCO-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001195859741 824134667 /nfs/dbraw/zinc/13/46/67/824134667.db2.gz OAMRAVORMHWTLI-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001195860023 824135087 /nfs/dbraw/zinc/13/50/87/824135087.db2.gz SBJVWQCHIQPGCN-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871576 824135535 /nfs/dbraw/zinc/13/55/35/824135535.db2.gz PZMBTXXIBBRVKH-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O)[NH+](C)C ZINC001196252187 824154766 /nfs/dbraw/zinc/15/47/66/824154766.db2.gz UZTQWZIBURHFBF-GRYCIOLGSA-N 2 1 273.377 -0.866 20 0 CBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196307595 824156002 /nfs/dbraw/zinc/15/60/02/824156002.db2.gz PWGXXKPXOOEKMR-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970742 824174581 /nfs/dbraw/zinc/17/45/81/824174581.db2.gz UGKRYXOVLJIZHG-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970742 824174583 /nfs/dbraw/zinc/17/45/83/824174583.db2.gz UGKRYXOVLJIZHG-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOC)C[C@H]1O ZINC001197493437 824194643 /nfs/dbraw/zinc/19/46/43/824194643.db2.gz NDXFQVOBDWWFDX-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCOC)C[C@H]1O ZINC001197493437 824194647 /nfs/dbraw/zinc/19/46/47/824194647.db2.gz NDXFQVOBDWWFDX-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@H]1O ZINC001197493437 824194650 /nfs/dbraw/zinc/19/46/50/824194650.db2.gz NDXFQVOBDWWFDX-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001197926309 824209932 /nfs/dbraw/zinc/20/99/32/824209932.db2.gz KRXAWHIFRNZMBB-CHWSQXEVSA-N 2 1 287.404 -0.738 20 0 CBADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672356 824234681 /nfs/dbraw/zinc/23/46/81/824234681.db2.gz NUQYISBKMBRGHS-MGPQQGTHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672356 824234687 /nfs/dbraw/zinc/23/46/87/824234687.db2.gz NUQYISBKMBRGHS-MGPQQGTHSA-N 2 1 299.415 -0.596 20 0 CBADMP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198673114 824234786 /nfs/dbraw/zinc/23/47/86/824234786.db2.gz YRRLOAWPXSNOEO-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198673114 824234791 /nfs/dbraw/zinc/23/47/91/824234791.db2.gz YRRLOAWPXSNOEO-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198698581 824235544 /nfs/dbraw/zinc/23/55/44/824235544.db2.gz BPYKMTKMPTWJPK-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198663193 824236105 /nfs/dbraw/zinc/23/61/05/824236105.db2.gz ZHKPMVDEESNCCV-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198663193 824236113 /nfs/dbraw/zinc/23/61/13/824236113.db2.gz ZHKPMVDEESNCCV-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198663193 824236123 /nfs/dbraw/zinc/23/61/23/824236123.db2.gz ZHKPMVDEESNCCV-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198673088 824236570 /nfs/dbraw/zinc/23/65/70/824236570.db2.gz YICWEFVSOKNMEX-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198673088 824236575 /nfs/dbraw/zinc/23/65/75/824236575.db2.gz YICWEFVSOKNMEX-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001199023739 824246637 /nfs/dbraw/zinc/24/66/37/824246637.db2.gz OFZKIKCPENLCAW-ZIAGYGMSSA-N 2 1 299.415 -0.594 20 0 CBADMP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199095932 824247442 /nfs/dbraw/zinc/24/74/42/824247442.db2.gz MNHNLLYXFCWOJS-YNEHKIRRSA-N 2 1 287.404 -0.477 20 0 CBADMP COC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199095932 824247444 /nfs/dbraw/zinc/24/74/44/824247444.db2.gz MNHNLLYXFCWOJS-YNEHKIRRSA-N 2 1 287.404 -0.477 20 0 CBADMP COC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199095932 824247450 /nfs/dbraw/zinc/24/74/50/824247450.db2.gz MNHNLLYXFCWOJS-YNEHKIRRSA-N 2 1 287.404 -0.477 20 0 CBADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071191 824248256 /nfs/dbraw/zinc/24/82/56/824248256.db2.gz NJOMCXARGOMNGG-MGPQQGTHSA-N 2 1 299.415 -0.596 20 0 CBADMP COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199787736 824287494 /nfs/dbraw/zinc/28/74/94/824287494.db2.gz DAGJCOSOJGTXRQ-KBPBESRZSA-N 2 1 299.415 -0.332 20 0 CBADMP CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199787527 824287974 /nfs/dbraw/zinc/28/79/74/824287974.db2.gz ARUMDCXQACXJCS-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCCO)CC2)C1 ZINC001199944141 824296676 /nfs/dbraw/zinc/29/66/76/824296676.db2.gz WGZAOWYZTWGKFY-ZDUSSCGKSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCCO)CC2)C1 ZINC001199944141 824296681 /nfs/dbraw/zinc/29/66/81/824296681.db2.gz WGZAOWYZTWGKFY-ZDUSSCGKSA-N 2 1 285.388 -0.720 20 0 CBADMP COCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199943565 824297444 /nfs/dbraw/zinc/29/74/44/824297444.db2.gz MIQGLRPTBRZMBG-CYBMUJFWSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943565 824297449 /nfs/dbraw/zinc/29/74/49/824297449.db2.gz MIQGLRPTBRZMBG-CYBMUJFWSA-N 2 1 285.388 -0.456 20 0 CBADMP CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200183503 824312891 /nfs/dbraw/zinc/31/28/91/824312891.db2.gz ZDYSDPLZAJGKDO-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200183503 824312894 /nfs/dbraw/zinc/31/28/94/824312894.db2.gz ZDYSDPLZAJGKDO-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+](CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1)C1CCC1 ZINC001200704631 824324249 /nfs/dbraw/zinc/32/42/49/824324249.db2.gz ODOIXDOAFDWHHO-AWEZNQCLSA-N 2 1 299.415 -0.330 20 0 CBADMP CCNC(=O)C[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284961017 828636931 /nfs/dbraw/zinc/63/69/31/828636931.db2.gz YSGPPNWPANCODQ-UHFFFAOYSA-N 2 1 296.415 -0.178 20 0 CBADMP CCNC(=O)C[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284961017 828636933 /nfs/dbraw/zinc/63/69/33/828636933.db2.gz YSGPPNWPANCODQ-UHFFFAOYSA-N 2 1 296.415 -0.178 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001202056667 824340941 /nfs/dbraw/zinc/34/09/41/824340941.db2.gz ARWRACBIIMJUOE-QWHCGFSZSA-N 2 1 285.388 -0.863 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001203431381 824362191 /nfs/dbraw/zinc/36/21/91/824362191.db2.gz FAMQMVPQNLAHIL-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC001203442995 824362260 /nfs/dbraw/zinc/36/22/60/824362260.db2.gz OYLCHPWYBVJKFA-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP 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 824374986 /nfs/dbraw/zinc/37/49/86/824374986.db2.gz FIURMPMWGXLUPE-CKIKVBCHSA-N 2 1 288.388 -0.614 20 0 CBADMP COC(=O)c1cnc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cn1 ZINC001205231582 824376261 /nfs/dbraw/zinc/37/62/61/824376261.db2.gz ZZSKEBRYQBFQTD-AWEZNQCLSA-N 2 1 294.355 -0.061 20 0 CBADMP Cn1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(=O)n(C)c1=O ZINC001205280627 824376405 /nfs/dbraw/zinc/37/64/05/824376405.db2.gz DSNPKFNJJQCVRM-AWEZNQCLSA-N 2 1 280.372 -0.213 20 0 CBADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205221403 824376799 /nfs/dbraw/zinc/37/67/99/824376799.db2.gz ULHNZLQLAPFAIU-CYBMUJFWSA-N 2 1 282.344 -0.128 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cn3c(n2)CNCC3)CC1 ZINC001205219199 824376958 /nfs/dbraw/zinc/37/69/58/824376958.db2.gz AEPRYGGSAAKPTQ-AWEZNQCLSA-N 2 1 279.388 -0.338 20 0 CBADMP CC(=O)N1CCC(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001205946018 824390239 /nfs/dbraw/zinc/39/02/39/824390239.db2.gz HHMDKMXUSCNDER-CHWSQXEVSA-N 2 1 255.362 -0.361 20 0 CBADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946052 824390447 /nfs/dbraw/zinc/39/04/47/824390447.db2.gz HUFOBWRHLKVROA-GWOFURMSSA-N 2 1 263.332 -0.129 20 0 CBADMP C[C@@H]1CNCC(F)(F)[C@H]1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946054 824390613 /nfs/dbraw/zinc/39/06/13/824390613.db2.gz HUFOBWRHLKVROA-LMLFDSFASA-N 2 1 263.332 -0.129 20 0 CBADMP CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001205946776 824390805 /nfs/dbraw/zinc/39/08/05/824390805.db2.gz QIMRFHJIWNLJDY-JHJVBQTASA-N 2 1 255.362 -0.361 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206275219 824396798 /nfs/dbraw/zinc/39/67/98/824396798.db2.gz PZPLGVRGQVQGAZ-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2OCCO)C[C@H]1O ZINC001206491276 824400392 /nfs/dbraw/zinc/40/03/92/824400392.db2.gz IYOPPPUTYZWJKP-QWHCGFSZSA-N 2 1 266.341 -0.191 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2OCCO)C[C@H]1O ZINC001206491276 824400395 /nfs/dbraw/zinc/40/03/95/824400395.db2.gz IYOPPPUTYZWJKP-QWHCGFSZSA-N 2 1 266.341 -0.191 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2N2CC[NH2+]CC2)C[C@H]1O ZINC001206468982 824401037 /nfs/dbraw/zinc/40/10/37/824401037.db2.gz MWHATNKCYRYUCZ-GOEBONIOSA-N 3 1 290.411 -0.152 20 0 CBADMP [NH3+]C[C@H]1CN(Cc2ccccc2N2CC[NH2+]CC2)C[C@H]1O ZINC001206468982 824401039 /nfs/dbraw/zinc/40/10/39/824401039.db2.gz MWHATNKCYRYUCZ-GOEBONIOSA-N 2 1 290.411 -0.152 20 0 CBADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001206929216 824412766 /nfs/dbraw/zinc/41/27/66/824412766.db2.gz ZOHFIRSQJIVRAT-YPMHNXCESA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207551175 824430479 /nfs/dbraw/zinc/43/04/79/824430479.db2.gz WUWCMBUFHYRHGT-RAIGVLPGSA-N 2 1 269.389 -0.245 20 0 CBADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207546999 824430719 /nfs/dbraw/zinc/43/07/19/824430719.db2.gz HUUFBFQGHNTTBR-QKCSRTOESA-N 2 1 296.415 -0.491 20 0 CBADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207546999 824430723 /nfs/dbraw/zinc/43/07/23/824430723.db2.gz HUUFBFQGHNTTBR-QKCSRTOESA-N 2 1 296.415 -0.491 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001207684712 824434054 /nfs/dbraw/zinc/43/40/54/824434054.db2.gz SBBUTQCQXPDVPF-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207684266 824434185 /nfs/dbraw/zinc/43/41/85/824434185.db2.gz LYZANHRNYADXIW-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCO)C2)C1 ZINC001207734049 824436527 /nfs/dbraw/zinc/43/65/27/824436527.db2.gz CFUPKLHBGKISQL-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCO)C2)C1 ZINC001207734049 824436529 /nfs/dbraw/zinc/43/65/29/824436529.db2.gz CFUPKLHBGKISQL-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001208307003 824450237 /nfs/dbraw/zinc/45/02/37/824450237.db2.gz SLXVBEBYAVCAGZ-XJFOESAGSA-N 2 1 299.415 -0.476 20 0 CBADMP COC[C@@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001208307003 824450241 /nfs/dbraw/zinc/45/02/41/824450241.db2.gz SLXVBEBYAVCAGZ-XJFOESAGSA-N 2 1 299.415 -0.476 20 0 CBADMP COC[C@@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001208307003 824450244 /nfs/dbraw/zinc/45/02/44/824450244.db2.gz SLXVBEBYAVCAGZ-XJFOESAGSA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492051 824453983 /nfs/dbraw/zinc/45/39/83/824453983.db2.gz DDMIVLLMXQXBJA-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492051 824453988 /nfs/dbraw/zinc/45/39/88/824453988.db2.gz DDMIVLLMXQXBJA-DGCLKSJQSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492861 824454395 /nfs/dbraw/zinc/45/43/95/824454395.db2.gz ROCBVYKRSWFBNV-CHWSQXEVSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495914 824454496 /nfs/dbraw/zinc/45/44/96/824454496.db2.gz CJMYLCIEUSCNKO-UPJWGTAASA-N 2 1 296.415 -0.395 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208491978 824454745 /nfs/dbraw/zinc/45/47/45/824454745.db2.gz BQCWBONBYBWWER-OUAUKWLOSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208491978 824454747 /nfs/dbraw/zinc/45/47/47/824454747.db2.gz BQCWBONBYBWWER-OUAUKWLOSA-N 2 1 270.377 -0.752 20 0 CBADMP Cn1cnnc1C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209418476 824470713 /nfs/dbraw/zinc/47/07/13/824470713.db2.gz DIEIWYCCXHZNBK-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209419099 824471053 /nfs/dbraw/zinc/47/10/53/824471053.db2.gz IPUGKFUOKCXCEF-LLVKDONJSA-N 2 1 295.391 -0.758 20 0 CBADMP Cn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445738 824471862 /nfs/dbraw/zinc/47/18/62/824471862.db2.gz OTVMQPYNZBLCQQ-GFCCVEGCSA-N 2 1 294.403 -0.153 20 0 CBADMP Cn1cc(C[NH2+][C@H]2CCCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001209454948 824471968 /nfs/dbraw/zinc/47/19/68/824471968.db2.gz POJQFBMQOJQAJN-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210674444 824480827 /nfs/dbraw/zinc/48/08/27/824480827.db2.gz WHFJKNUTPNAJEN-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCCO)C2)C1 ZINC001211176134 824483744 /nfs/dbraw/zinc/48/37/44/824483744.db2.gz HJFRHSIXKMACJN-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCCO)C2)C1 ZINC001211176134 824483748 /nfs/dbraw/zinc/48/37/48/824483748.db2.gz HJFRHSIXKMACJN-KBPBESRZSA-N 2 1 299.415 -0.330 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026641 824497520 /nfs/dbraw/zinc/49/75/20/824497520.db2.gz SCYDDSRYEXIREH-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026641 824497521 /nfs/dbraw/zinc/49/75/21/824497521.db2.gz SCYDDSRYEXIREH-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212026641 824497523 /nfs/dbraw/zinc/49/75/23/824497523.db2.gz SCYDDSRYEXIREH-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212026641 824497527 /nfs/dbraw/zinc/49/75/27/824497527.db2.gz SCYDDSRYEXIREH-MGPQQGTHSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346696 824511027 /nfs/dbraw/zinc/51/10/27/824511027.db2.gz YUYUIZZEPXONPN-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342088 824511085 /nfs/dbraw/zinc/51/10/85/824511085.db2.gz GPBZALLOKXKPBA-JHJVBQTASA-N 2 1 299.415 -0.476 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213578779 824513160 /nfs/dbraw/zinc/51/31/60/824513160.db2.gz WPOJIBBHUCJZLL-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213578779 824513163 /nfs/dbraw/zinc/51/31/63/824513163.db2.gz WPOJIBBHUCJZLL-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1OC ZINC001213671923 824514365 /nfs/dbraw/zinc/51/43/65/824514365.db2.gz WHMZJNJAQRDYET-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC ZINC001213671923 824514368 /nfs/dbraw/zinc/51/43/68/824514368.db2.gz WHMZJNJAQRDYET-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001213671923 824514374 /nfs/dbraw/zinc/51/43/74/824514374.db2.gz WHMZJNJAQRDYET-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1OC ZINC001213765125 824516408 /nfs/dbraw/zinc/51/64/08/824516408.db2.gz VIZAKGXKAYFNHV-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC ZINC001213765125 824516412 /nfs/dbraw/zinc/51/64/12/824516412.db2.gz VIZAKGXKAYFNHV-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001213765125 824516416 /nfs/dbraw/zinc/51/64/16/824516416.db2.gz VIZAKGXKAYFNHV-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCCO ZINC001214336047 824528328 /nfs/dbraw/zinc/52/83/28/824528328.db2.gz SAOSPVXZXVDGIB-JHJVBQTASA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOC)C2)C1 ZINC001216801521 824548863 /nfs/dbraw/zinc/54/88/63/824548863.db2.gz NMICJCWESKBXBR-MCIONIFRSA-N 2 1 299.415 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOC)C2)C1 ZINC001216801521 824548865 /nfs/dbraw/zinc/54/88/65/824548865.db2.gz NMICJCWESKBXBR-MCIONIFRSA-N 2 1 299.415 -0.210 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216750146 824549678 /nfs/dbraw/zinc/54/96/78/824549678.db2.gz RCHWBOWGAVNSKR-JHJVBQTASA-N 2 1 296.415 -0.537 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001216851642 824550851 /nfs/dbraw/zinc/55/08/51/824550851.db2.gz DKRZZWINOWWERK-GRYCIOLGSA-N 2 1 284.404 -0.363 20 0 CBADMP C[C@@H]1C[NH+](CCc2nnc(C[C@H](O)C[NH3+])o2)C[C@@H](C)O1 ZINC001217695345 824558145 /nfs/dbraw/zinc/55/81/45/824558145.db2.gz RIKHPFNHMFOKTR-MXWKQRLJSA-N 2 1 284.360 -0.417 20 0 CBADMP C[C@@H]1C[NH+](CCc2nnc([C@@H](O)C[NH3+])o2)C[C@@H](C)O1 ZINC001217740386 824560588 /nfs/dbraw/zinc/56/05/88/824560588.db2.gz OAYYNHMTLUOEHD-BBBLOLIVSA-N 2 1 270.333 -0.287 20 0 CBADMP NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@@H]2CC[NH2+]CC(=O)C2)cc1 ZINC001218192362 824563685 /nfs/dbraw/zinc/56/36/85/824563685.db2.gz CGBNBBYCUXORQJ-KGLIPLIRSA-N 2 1 291.351 -0.258 20 0 CBADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@@H]1C[NH2+][C@@H]1C ZINC001218384597 824567929 /nfs/dbraw/zinc/56/79/29/824567929.db2.gz QSJDELGZJQRPSF-RNFRBKRXSA-N 2 1 296.327 -0.098 20 0 CBADMP CCOC(=O)c1c[nH]c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218527069 824583950 /nfs/dbraw/zinc/58/39/50/824583950.db2.gz DHCGNBICPHSYOV-MRVPVSSYSA-N 2 1 293.327 -0.666 20 0 CBADMP CCOC(=O)c1c[nH]c(NC(=O)[C@@H]([NH3+])CCC[NH3+])n1 ZINC001218528931 824584177 /nfs/dbraw/zinc/58/41/77/824584177.db2.gz WCRQMSDYPOIEFX-ZETCQYMHSA-N 2 1 269.305 -0.409 20 0 CBADMP CCOC(=O)c1c[nH]c(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001218527412 824584464 /nfs/dbraw/zinc/58/44/64/824584464.db2.gz JUIXOOGUVBWPBM-JTQLQIEISA-N 2 1 295.343 -0.148 20 0 CBADMP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1n[nH]c2nccnc12 ZINC001218568598 824595172 /nfs/dbraw/zinc/59/51/72/824595172.db2.gz QDSAOZDIIDJRNS-ZETCQYMHSA-N 2 1 263.305 -0.301 20 0 CBADMP C[NH+]1CCN(c2cc(NC(=O)[C@H]3CC[C@@H]3[NH3+])ncn2)CC1 ZINC001218573084 824596127 /nfs/dbraw/zinc/59/61/27/824596127.db2.gz RQEYXIPPDRFFOY-QWRGUYRKSA-N 2 1 290.371 -0.096 20 0 CBADMP C[NH+]1CCN(c2cc(NC(=O)[C@@H]3CC[NH2+]3)ncn2)CC1 ZINC001218572806 824596222 /nfs/dbraw/zinc/59/62/22/824596222.db2.gz OCSKNCKMWOOFRI-JTQLQIEISA-N 2 1 276.344 -0.471 20 0 CBADMP CCOC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)n1 ZINC001218648248 824614591 /nfs/dbraw/zinc/61/45/91/824614591.db2.gz UGUZYOCESJKFTK-SCZZXKLOSA-N 2 1 278.312 -0.114 20 0 CBADMP Nc1cccnc1N(C(=O)[C@@H]1COC[NH2+]1)C1CC[NH2+]CC1 ZINC001218695193 824622549 /nfs/dbraw/zinc/62/25/49/824622549.db2.gz PFOIUGZWVYXCJX-LBPRGKRZSA-N 2 1 291.355 -0.305 20 0 CBADMP CC(=O)OC[C@H]([NH3+])C(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218709703 824626395 /nfs/dbraw/zinc/62/63/95/824626395.db2.gz BNEGNFVZJYLYCT-IUCAKERBSA-N 2 1 282.300 -0.072 20 0 CBADMP O=C(Nc1ccc2[nH]nnc2c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218878119 824644322 /nfs/dbraw/zinc/64/43/22/824644322.db2.gz ZTRAPQWZTUFXIK-SECBINFHSA-N 2 1 272.312 -0.295 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001218919714 824649050 /nfs/dbraw/zinc/64/90/50/824649050.db2.gz XZXVGDKQYVWZPU-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001218919714 824649052 /nfs/dbraw/zinc/64/90/52/824649052.db2.gz XZXVGDKQYVWZPU-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218919714 824649054 /nfs/dbraw/zinc/64/90/54/824649054.db2.gz XZXVGDKQYVWZPU-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218919714 824649055 /nfs/dbraw/zinc/64/90/55/824649055.db2.gz XZXVGDKQYVWZPU-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP CC[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970900 824651305 /nfs/dbraw/zinc/65/13/05/824651305.db2.gz NSDISDABDLEKOP-QWHCGFSZSA-N 2 1 285.388 -0.504 20 0 CBADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219349561 824695166 /nfs/dbraw/zinc/69/51/66/824695166.db2.gz OTTOGRDWFMOVLQ-AWEZNQCLSA-N 2 1 291.399 -0.166 20 0 CBADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219358144 824697382 /nfs/dbraw/zinc/69/73/82/824697382.db2.gz ZQZXWBUOFAPGEV-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219358144 824697385 /nfs/dbraw/zinc/69/73/85/824697385.db2.gz ZQZXWBUOFAPGEV-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219358144 824697390 /nfs/dbraw/zinc/69/73/90/824697390.db2.gz ZQZXWBUOFAPGEV-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219358144 824697394 /nfs/dbraw/zinc/69/73/94/824697394.db2.gz ZQZXWBUOFAPGEV-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP N[C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)C1 ZINC001219537885 824723411 /nfs/dbraw/zinc/72/34/11/824723411.db2.gz RBJMCKZSSKHMRQ-UPBCOZELSA-N 2 1 288.351 -0.238 20 0 CBADMP C[NH+](C)CCNC(=O)c1ccc([C@H]([NH3+])CN)cc1 ZINC001219553775 824727167 /nfs/dbraw/zinc/72/71/67/824727167.db2.gz LKAHQSWUXVWKKL-GFCCVEGCSA-N 2 1 250.346 -0.064 20 0 CBADMP Cc1cc(C)n(CCNC(=O)C[NH2+]C2CC[NH2+]CC2)n1 ZINC001219595558 824738706 /nfs/dbraw/zinc/73/87/06/824738706.db2.gz FSYUMLIURXKEJB-UHFFFAOYSA-N 2 1 279.388 -0.042 20 0 CBADMP Cc1nocc1CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219608148 824852779 /nfs/dbraw/zinc/85/27/79/824852779.db2.gz QQGGBERADQFQIW-UHFFFAOYSA-N 2 1 252.318 -0.059 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635602 824867566 /nfs/dbraw/zinc/86/75/66/824867566.db2.gz NYPOVPQZRXYNBK-CIUDSAMLSA-N 2 1 261.297 -0.917 20 0 CBADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CC2CC[NH+]1CC2 ZINC001219616302 824857391 /nfs/dbraw/zinc/85/73/91/824857391.db2.gz WQDPNBIUHGUTEF-SGMGOOAPSA-N 2 1 285.363 -0.351 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219618099 824859081 /nfs/dbraw/zinc/85/90/81/824859081.db2.gz UMUHAYQBYOROJE-GMXVVIOVSA-N 2 1 273.352 -0.351 20 0 CBADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219620300 824861423 /nfs/dbraw/zinc/86/14/23/824861423.db2.gz ZJPJPZXUBGGSGY-SGMGOOAPSA-N 2 1 287.379 -0.105 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219636204 824868694 /nfs/dbraw/zinc/86/86/94/824868694.db2.gz XBHFILMTVFOPJM-ONGXEEELSA-N 3 1 258.341 -0.856 20 0 CBADMP C[C@H]1C[NH2+]C[C@@H](CNC(=O)CCN2CC[NH+](C)CC2)C1 ZINC001219641604 824869578 /nfs/dbraw/zinc/86/95/78/824869578.db2.gz JIIRFYUZFORWTB-KGLIPLIRSA-N 2 1 282.432 -0.014 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001219644705 824872192 /nfs/dbraw/zinc/87/21/92/824872192.db2.gz FBMXAOADRBICSX-TUAOUCFPSA-N 2 1 255.362 -0.321 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001219644705 824872200 /nfs/dbraw/zinc/87/22/00/824872200.db2.gz FBMXAOADRBICSX-TUAOUCFPSA-N 2 1 255.362 -0.321 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@]2(C)COCC[NH2+]2)C1 ZINC001219651443 824874046 /nfs/dbraw/zinc/87/40/46/824874046.db2.gz VTEHVKGJPOUSEN-DMDPSCGWSA-N 2 1 255.362 -0.273 20 0 CBADMP C[C@H]1C[NH2+]C[C@H](CNC(=O)c2cnn3c2C[NH2+]CC3)C1 ZINC001219662619 824874597 /nfs/dbraw/zinc/87/45/97/824874597.db2.gz KAMPEPFOQLMALA-GHMZBOCLSA-N 2 1 277.372 -0.038 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2cnn3c2C[NH2+]CC3)C1 ZINC001219662622 824875059 /nfs/dbraw/zinc/87/50/59/824875059.db2.gz KAMPEPFOQLMALA-WDEREUQCSA-N 2 1 277.372 -0.038 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)NCc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001219705884 824882904 /nfs/dbraw/zinc/88/29/04/824882904.db2.gz SBJTZBJMARONSA-KBPBESRZSA-N 2 1 274.368 -0.362 20 0 CBADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)C1 ZINC001219764377 824890484 /nfs/dbraw/zinc/89/04/84/824890484.db2.gz DLVQPLQWJUVGEQ-YIYPIFLZSA-N 2 1 280.416 -0.216 20 0 CBADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)C1 ZINC001219764377 824890491 /nfs/dbraw/zinc/89/04/91/824890491.db2.gz DLVQPLQWJUVGEQ-YIYPIFLZSA-N 2 1 280.416 -0.216 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)C1 ZINC001219743961 824890650 /nfs/dbraw/zinc/89/06/50/824890650.db2.gz PZDAPTDMRPUBGE-SRVKXCTJSA-N 2 1 282.388 -0.907 20 0 CBADMP CCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]cn2)[C@@H](O)C1 ZINC001219768836 824891129 /nfs/dbraw/zinc/89/11/29/824891129.db2.gz MZQBUNHRRDRAKO-NEPJUHHUSA-N 2 1 266.345 -0.086 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764887 824892300 /nfs/dbraw/zinc/89/23/00/824892300.db2.gz OGIBCKVBJXQMOO-YVECIDJPSA-N 2 1 266.389 -0.476 20 0 CBADMP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764887 824892304 /nfs/dbraw/zinc/89/23/04/824892304.db2.gz OGIBCKVBJXQMOO-YVECIDJPSA-N 2 1 266.389 -0.476 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773042 824893392 /nfs/dbraw/zinc/89/33/92/824893392.db2.gz KHZIBVXMYJYNCM-NSHDSACASA-N 2 1 283.372 -0.085 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805773 824895339 /nfs/dbraw/zinc/89/53/39/824895339.db2.gz RSFQRJLQBSIODB-HZSPNIEDSA-N 2 1 299.415 -0.476 20 0 CBADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798432 824895976 /nfs/dbraw/zinc/89/59/76/824895976.db2.gz MEGWZZNEZKICLH-OLZOCXBDSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219803675 824896376 /nfs/dbraw/zinc/89/63/76/824896376.db2.gz CUFBYIXWIREKCS-FRRDWIJNSA-N 2 1 285.388 -0.866 20 0 CBADMP C[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219813919 824897768 /nfs/dbraw/zinc/89/77/68/824897768.db2.gz KUFDQIYKSBFZMS-UHTWSYAYSA-N 2 1 285.388 -0.987 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001219829853 824900488 /nfs/dbraw/zinc/90/04/88/824900488.db2.gz GMIMMBZAPDTLGO-UPJWGTAASA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219829853 824900492 /nfs/dbraw/zinc/90/04/92/824900492.db2.gz GMIMMBZAPDTLGO-UPJWGTAASA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219829853 824900496 /nfs/dbraw/zinc/90/04/96/824900496.db2.gz GMIMMBZAPDTLGO-UPJWGTAASA-N 2 1 285.388 -0.986 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)CNC1CC[NH2+]CC1 ZINC001219934965 824916200 /nfs/dbraw/zinc/91/62/00/824916200.db2.gz VWZDHUGREAYHJX-UHFFFAOYSA-N 2 1 265.361 -0.351 20 0 CBADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCCn1cc[nH+]c1C ZINC001219934832 824917198 /nfs/dbraw/zinc/91/71/98/824917198.db2.gz PHEGNCFPSYQDPO-ZDUSSCGKSA-N 2 1 295.387 -0.059 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001219980994 824929116 /nfs/dbraw/zinc/92/91/16/824929116.db2.gz SYLYNGDJAUJNER-OCCSQVGLSA-N 2 1 268.405 -0.085 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[NH2+]CCN2)C1 ZINC001219980306 824929296 /nfs/dbraw/zinc/92/92/96/824929296.db2.gz GIFGGWNCCRZXNZ-NEPJUHHUSA-N 2 1 254.378 -0.604 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2[NH2+]CC[C@@H]2O)C1 ZINC001219980527 824929807 /nfs/dbraw/zinc/92/98/07/824929807.db2.gz KIGXCSDOBNTWLY-SRVKXCTJSA-N 2 1 255.362 -0.443 20 0 CBADMP CN1C[C@@H](NC(=O)C[NH2+]C2CC[NH2+]CC2)CCC1=O ZINC001220007590 824932496 /nfs/dbraw/zinc/93/24/96/824932496.db2.gz QDLGTVHHVIITRT-NSHDSACASA-N 2 1 268.361 -0.935 20 0 CBADMP N=c1cc(C[NH3+])ncn1C(=O)c1ccc([C@@H]([NH3+])CN)cc1 ZINC001220020366 824936329 /nfs/dbraw/zinc/93/63/29/824936329.db2.gz GKJCNBFVOPXEOC-LBPRGKRZSA-N 2 1 286.339 -0.532 20 0 CBADMP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001220043357 824941795 /nfs/dbraw/zinc/94/17/95/824941795.db2.gz OPCIFBPHQAESQB-SNVBAGLBSA-N 2 1 275.316 -0.937 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC001220071617 824950826 /nfs/dbraw/zinc/95/08/26/824950826.db2.gz LHLVPLRJVIXTAE-LLVKDONJSA-N 2 1 264.329 -0.033 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)C1(N)CC[NH2+]CC1 ZINC001220071317 824951586 /nfs/dbraw/zinc/95/15/86/824951586.db2.gz ARTDJNSREXGSKI-UHFFFAOYSA-N 2 1 263.345 -0.331 20 0 CBADMP COC(=O)[C@H](CCSC)NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220079303 824951656 /nfs/dbraw/zinc/95/16/56/824951656.db2.gz FWFQPSZTKNLMCI-YUMQZZPRSA-N 2 1 263.363 -0.927 20 0 CBADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001220071822 824951808 /nfs/dbraw/zinc/95/18/08/824951808.db2.gz SZTSAXXQHHRVTP-APBUJDDRSA-N 2 1 284.385 -0.316 20 0 CBADMP NC[C@H]([NH3+])c1ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc1 ZINC001220103137 824954632 /nfs/dbraw/zinc/95/46/32/824954632.db2.gz HXRSZTRVVKHADG-LBPRGKRZSA-N 3 1 292.387 -0.280 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCOC(F)(F)F ZINC001220139273 824965072 /nfs/dbraw/zinc/96/50/72/824965072.db2.gz PGWRTIVORDVGRM-UHFFFAOYSA-N 2 1 269.267 -0.019 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001220158630 824972743 /nfs/dbraw/zinc/97/27/43/824972743.db2.gz CJKSEBBDBQEHSP-NSHDSACASA-N 2 1 268.361 -0.855 20 0 CBADMP CC(C)[NH+]1CC(NC(=O)CNC2CC[NH2+]CC2)C1 ZINC001220158813 824972761 /nfs/dbraw/zinc/97/27/61/824972761.db2.gz IFJVLYKFHFIGIM-UHFFFAOYSA-N 2 1 254.378 -0.463 20 0 CBADMP O=C(N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1COC[NH2+]1 ZINC001220159371 824973448 /nfs/dbraw/zinc/97/34/48/824973448.db2.gz OCLQLBFOPBQWGA-GMXVVIOVSA-N 2 1 253.346 -0.029 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220160392 824974206 /nfs/dbraw/zinc/97/42/06/824974206.db2.gz YRFQZTGMMSQFBO-NWDGAFQWSA-N 3 1 254.378 -0.476 20 0 CBADMP CN1CCC[C@H](NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220160392 824974208 /nfs/dbraw/zinc/97/42/08/824974208.db2.gz YRFQZTGMMSQFBO-NWDGAFQWSA-N 2 1 254.378 -0.476 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCC1(N2CCCC2)COC1 ZINC001220197614 824984571 /nfs/dbraw/zinc/98/45/71/824984571.db2.gz LONQHZIMWPQWOD-UHFFFAOYSA-N 2 1 296.415 -0.691 20 0 CBADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001220220719 824989366 /nfs/dbraw/zinc/98/93/66/824989366.db2.gz BXZLQZBGRHRFGE-RHYQMDGZSA-N 2 1 254.378 -0.335 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230690 824990893 /nfs/dbraw/zinc/99/08/93/824990893.db2.gz OOLVCEMZICJIFV-MNOVXSKESA-N 2 1 255.362 -0.491 20 0 CBADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCc1cnccn1 ZINC001220242813 824992995 /nfs/dbraw/zinc/99/29/95/824992995.db2.gz IIJJZHQTPYLALN-UHFFFAOYSA-N 2 1 263.345 -0.523 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NCC[C@H]1CCC[N@@H+]1C ZINC001220252131 824995956 /nfs/dbraw/zinc/99/59/56/824995956.db2.gz OUUQAFKUZOKBHI-MNOVXSKESA-N 2 1 271.361 -0.133 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCC(=O)NCC[C@H]1CCC[N@H+]1C ZINC001220252131 824995961 /nfs/dbraw/zinc/99/59/61/824995961.db2.gz OUUQAFKUZOKBHI-MNOVXSKESA-N 2 1 271.361 -0.133 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220252022 824996306 /nfs/dbraw/zinc/99/63/06/824996306.db2.gz LUJJLOLOERRUMP-NEPJUHHUSA-N 3 1 266.389 -0.604 20 0 CBADMP C[NH+](C)CC(C)(C)CNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220254174 824996632 /nfs/dbraw/zinc/99/66/32/824996632.db2.gz LKUZRKJXQAHKEA-ZDUSSCGKSA-N 2 1 299.463 -0.559 20 0 CBADMP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277173 825003322 /nfs/dbraw/zinc/00/33/22/825003322.db2.gz TZEXBGFUPKRZPY-XQQFMLRXSA-N 2 1 287.404 -0.740 20 0 CBADMP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276697 825003994 /nfs/dbraw/zinc/00/39/94/825003994.db2.gz IPBDKUWXVBNPTI-UTUOFQBUSA-N 2 1 275.368 -0.153 20 0 CBADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)Cc1cnc[nH]1 ZINC001220290716 825007038 /nfs/dbraw/zinc/00/70/38/825007038.db2.gz CIFCOKOPTOJKFU-NEPJUHHUSA-N 2 1 283.376 -0.854 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001220307153 825009170 /nfs/dbraw/zinc/00/91/70/825009170.db2.gz SWJROUJCGLRVIH-AWEZNQCLSA-N 3 1 299.463 -0.414 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC001220303809 825009626 /nfs/dbraw/zinc/00/96/26/825009626.db2.gz DWHMSGTYJGAKJB-CYBMUJFWSA-N 2 1 294.403 -0.967 20 0 CBADMP C[N@@H+]1CCCN(CCNC(=O)[C@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC001220303809 825009635 /nfs/dbraw/zinc/00/96/35/825009635.db2.gz DWHMSGTYJGAKJB-CYBMUJFWSA-N 2 1 294.403 -0.967 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC001220303809 825009649 /nfs/dbraw/zinc/00/96/49/825009649.db2.gz DWHMSGTYJGAKJB-CYBMUJFWSA-N 2 1 294.403 -0.967 20 0 CBADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC001220303788 825010929 /nfs/dbraw/zinc/01/09/29/825010929.db2.gz CRXOSWXNYYDQEA-CHWSQXEVSA-N 2 1 268.405 -0.133 20 0 CBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316893 825014049 /nfs/dbraw/zinc/01/40/49/825014049.db2.gz UMJBYDSKNMAEMN-OUCADQQQSA-N 2 1 293.371 -0.693 20 0 CBADMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCc1c[nH]nn1 ZINC001220328654 825015542 /nfs/dbraw/zinc/01/55/42/825015542.db2.gz AQVKEHYFITWXBM-NSHDSACASA-N 2 1 268.365 -0.084 20 0 CBADMP COc1ccc(CNC(=O)C[NH2+]C2CC[NH2+]CC2)nn1 ZINC001220343470 825020243 /nfs/dbraw/zinc/02/02/43/825020243.db2.gz PTAVECPUDYSGKM-UHFFFAOYSA-N 2 1 279.344 -0.557 20 0 CBADMP COC(=O)[C@@H]1CC[C@H](NC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001220406491 825032846 /nfs/dbraw/zinc/03/28/46/825032846.db2.gz RJEVUUMNGHDVQL-PWSUYJOCSA-N 2 1 283.372 -0.214 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H](CO)Cc1ccccc1 ZINC001220406569 825033752 /nfs/dbraw/zinc/03/37/52/825033752.db2.gz SVQPVVZGELCVBS-STQMWFEESA-N 2 1 265.357 -0.370 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)NC1CC[NH+](CCF)CC1 ZINC001220436048 825038408 /nfs/dbraw/zinc/03/84/08/825038408.db2.gz POUGUIVLSOHKEZ-LBPRGKRZSA-N 2 1 273.352 -0.085 20 0 CBADMP [NH3+]CCC[C@H]([NH3+])C(=O)NC1CC[NH+](CCF)CC1 ZINC001220435360 825040132 /nfs/dbraw/zinc/04/01/32/825040132.db2.gz HGUCRJCBNZXZRH-NSHDSACASA-N 3 1 260.357 -0.397 20 0 CBADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NCC1([NH3+])CCCC1 ZINC001220497062 825050166 /nfs/dbraw/zinc/05/01/66/825050166.db2.gz JGXXTQFZWGNFHO-GFCCVEGCSA-N 2 1 283.420 -0.876 20 0 CBADMP C[C@H]([NH3+])c1ncc(C(=O)NCCN(C)CC[NH3+])s1 ZINC001220517535 825054122 /nfs/dbraw/zinc/05/41/22/825054122.db2.gz PKASSESTVGAHMS-QMMMGPOBSA-N 2 1 271.390 -0.217 20 0 CBADMP CN(CC[NH3+])CCNC(=O)c1ccc([C@@H]([NH3+])CN)cc1 ZINC001220517444 825054716 /nfs/dbraw/zinc/05/47/16/825054716.db2.gz LUJGQARPPRPCIR-ZDUSSCGKSA-N 2 1 279.388 -0.735 20 0 CBADMP CC(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553915 825061496 /nfs/dbraw/zinc/06/14/96/825061496.db2.gz XYTGXFLRRLLCPB-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553915 825061505 /nfs/dbraw/zinc/06/15/05/825061505.db2.gz XYTGXFLRRLLCPB-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H]1COCC[C@@H]1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220566020 825062868 /nfs/dbraw/zinc/06/28/68/825062868.db2.gz XLFXCKCFZSQQJE-PWSUYJOCSA-N 2 1 255.362 -0.131 20 0 CBADMP C[C@]1(C(=O)NCC[NH+]2CC3(COC3)C2)CC[NH2+]C1 ZINC001220570842 825064921 /nfs/dbraw/zinc/06/49/21/825064921.db2.gz AYYGXCAHRNALJS-LBPRGKRZSA-N 2 1 253.346 -0.566 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651304 825080995 /nfs/dbraw/zinc/08/09/95/825080995.db2.gz JFBOFAXGCXZJBX-ZDUSSCGKSA-N 3 1 291.399 -0.612 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001220682946 825083509 /nfs/dbraw/zinc/08/35/09/825083509.db2.gz IHORBNLWMIWZTQ-NEPJUHHUSA-N 2 1 275.368 -0.151 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)OC)C[C@@H]1O ZINC001220688505 825086740 /nfs/dbraw/zinc/08/67/40/825086740.db2.gz JEOXTYNIYARLNF-XQQFMLRXSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](C)OC)C[C@@H]1O ZINC001220688505 825086745 /nfs/dbraw/zinc/08/67/45/825086745.db2.gz JEOXTYNIYARLNF-XQQFMLRXSA-N 2 1 287.404 -0.476 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@@H]1O ZINC001220688505 825086750 /nfs/dbraw/zinc/08/67/50/825086750.db2.gz JEOXTYNIYARLNF-XQQFMLRXSA-N 2 1 287.404 -0.476 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1C[NH2+]C[C@H]1O)C2 ZINC001220716825 825094120 /nfs/dbraw/zinc/09/41/20/825094120.db2.gz SGYWAQSNOWUJBT-IEECTRCBSA-N 2 1 267.373 -0.302 20 0 CBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@]1(N)CC[NH2+]C1)C2 ZINC001220717015 825094459 /nfs/dbraw/zinc/09/44/59/825094459.db2.gz XAJWJALEBWHFLP-FMSGJZPZSA-N 2 1 266.389 -0.191 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220743772 825095886 /nfs/dbraw/zinc/09/58/86/825095886.db2.gz PDJLMGADPMWQQG-ZDUSSCGKSA-N 3 1 277.372 -0.157 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220788454 825102246 /nfs/dbraw/zinc/10/22/46/825102246.db2.gz DZWNFVNRFMVLOL-FRRDWIJNSA-N 3 1 277.372 -0.476 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2CC[NH2+][C@H]2c2cccnc2)C1 ZINC001220788592 825102914 /nfs/dbraw/zinc/10/29/14/825102914.db2.gz FHEMOSDFFAZQHA-RFGFWPKPSA-N 2 1 289.383 -0.462 20 0 CBADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)C1 ZINC001220806044 825104073 /nfs/dbraw/zinc/10/40/73/825104073.db2.gz XEXRLXJMJRDRRX-KDXUFGMBSA-N 2 1 280.294 -0.668 20 0 CBADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806477 825104749 /nfs/dbraw/zinc/10/47/49/825104749.db2.gz DOYOSURYVMOCSI-UPJWGTAASA-N 2 1 287.404 -0.740 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220816954 825105181 /nfs/dbraw/zinc/10/51/81/825105181.db2.gz IRSJCFBXORXALT-OLZOCXBDSA-N 2 1 269.389 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](C)OC)C[C@@H]1O ZINC001220828848 825108266 /nfs/dbraw/zinc/10/82/66/825108266.db2.gz FNDFAXIBEZIEIL-UPJWGTAASA-N 2 1 287.404 -0.476 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220831420 825109365 /nfs/dbraw/zinc/10/93/65/825109365.db2.gz YYJRBMNCIMLDCB-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220831420 825109368 /nfs/dbraw/zinc/10/93/68/825109368.db2.gz YYJRBMNCIMLDCB-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220831420 825109371 /nfs/dbraw/zinc/10/93/71/825109371.db2.gz YYJRBMNCIMLDCB-MJBXVCDLSA-N 2 1 299.415 -0.474 20 0 CBADMP [NH3+]C12CCC(C(=O)NCCN3CC[NH2+]CC3=O)(CC1)CC2 ZINC001220874637 825118532 /nfs/dbraw/zinc/11/85/32/825118532.db2.gz JWLIEFJLVNJBON-UHFFFAOYSA-N 2 1 294.399 -0.414 20 0 CBADMP [NH3+][C@H](C(=O)NCCN1CC[NH2+]CC1=O)C1CCCCC1 ZINC001220872344 825118742 /nfs/dbraw/zinc/11/87/42/825118742.db2.gz VBEBNHPHYMONPC-ZDUSSCGKSA-N 2 1 282.388 -0.558 20 0 CBADMP N[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220918881 825123684 /nfs/dbraw/zinc/12/36/84/825123684.db2.gz KHSBYBKYGDNQRN-PWSUYJOCSA-N 2 1 254.378 -0.204 20 0 CBADMP COc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H](N)C[NH3+])C1 ZINC001220928537 825123711 /nfs/dbraw/zinc/12/37/11/825123711.db2.gz UBLXZNVJFWRCOA-STQMWFEESA-N 2 1 292.383 -0.328 20 0 CBADMP N[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3cccnc3)C2)CC[NH2+]C1 ZINC001220915170 825123998 /nfs/dbraw/zinc/12/39/98/825123998.db2.gz QDTSFNCPFCAXGV-DZGCQCFKSA-N 2 1 289.383 -0.537 20 0 CBADMP N[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3cccnc3)C2)CC[NH2+]C1 ZINC001220915170 825124007 /nfs/dbraw/zinc/12/40/07/825124007.db2.gz QDTSFNCPFCAXGV-DZGCQCFKSA-N 2 1 289.383 -0.537 20 0 CBADMP CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986299 825132496 /nfs/dbraw/zinc/13/24/96/825132496.db2.gz ZKYZCJJPKFLPML-UPJWGTAASA-N 2 1 285.388 -0.864 20 0 CBADMP O=C(NCc1[nH+]cn2ccccc12)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001221008636 825135231 /nfs/dbraw/zinc/13/52/31/825135231.db2.gz XQLAIJZFOHZVPA-UWVGGRQHSA-N 2 1 260.297 -0.327 20 0 CBADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1cn(Cc2ccncc2)cn1 ZINC001221025842 825138386 /nfs/dbraw/zinc/13/83/86/825138386.db2.gz JOTYLFLJKBAEKE-ZDUSSCGKSA-N 2 1 288.355 -0.381 20 0 CBADMP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001221056463 825139591 /nfs/dbraw/zinc/13/95/91/825139591.db2.gz TYOHTNGWOXVUCV-MGPQQGTHSA-N 2 1 298.431 -0.188 20 0 CBADMP COC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CC[NH3+])[nH]1 ZINC001221079936 825141748 /nfs/dbraw/zinc/14/17/48/825141748.db2.gz OYKKVVQLVJQCAZ-QMMMGPOBSA-N 2 1 254.290 -0.906 20 0 CBADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001221243214 825160017 /nfs/dbraw/zinc/16/00/17/825160017.db2.gz GSCYXKQRJXXHEF-FZMZJTMJSA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001221243746 825160815 /nfs/dbraw/zinc/16/08/15/825160815.db2.gz MGLGPWIEKITUKQ-UKRRQHHQSA-N 3 1 297.447 -0.663 20 0 CBADMP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221243746 825160817 /nfs/dbraw/zinc/16/08/17/825160817.db2.gz MGLGPWIEKITUKQ-UKRRQHHQSA-N 3 1 297.447 -0.663 20 0 CBADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221243746 825160820 /nfs/dbraw/zinc/16/08/20/825160820.db2.gz MGLGPWIEKITUKQ-UKRRQHHQSA-N 3 1 297.447 -0.663 20 0 CBADMP COC(=O)[C@H]1C2CCC(CC2)[C@@H]1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001221243798 825160834 /nfs/dbraw/zinc/16/08/34/825160834.db2.gz NLQYCMDAHSUACJ-ULOBAINLSA-N 2 1 283.372 -0.244 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)CNC2CC[NH2+]CC2)C1 ZINC001221253986 825161556 /nfs/dbraw/zinc/16/15/56/825161556.db2.gz DOWFGQJCQHYLRI-NSHDSACASA-N 2 1 254.378 -0.604 20 0 CBADMP C[N@@H+]1CC[C@@H](CNC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001221253986 825161559 /nfs/dbraw/zinc/16/15/59/825161559.db2.gz DOWFGQJCQHYLRI-NSHDSACASA-N 3 1 254.378 -0.604 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001221253986 825161562 /nfs/dbraw/zinc/16/15/62/825161562.db2.gz DOWFGQJCQHYLRI-NSHDSACASA-N 3 1 254.378 -0.604 20 0 CBADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001221359113 825175971 /nfs/dbraw/zinc/17/59/71/825175971.db2.gz UHLIMSFSFAXOLL-AVGNSLFASA-N 2 1 298.431 -0.604 20 0 CBADMP COCC1(NC(=O)[C@@H]([NH3+])CC[NH3+])Cc2ccccc2C1 ZINC001221397041 825181088 /nfs/dbraw/zinc/18/10/88/825181088.db2.gz TYOORZGWECWBLO-ZDUSSCGKSA-N 2 1 277.368 -0.037 20 0 CBADMP CC(C)N(C(=O)[C@H](N)CN1CCC([NH3+])CC1)C(C)(C)C[NH3+] ZINC001221395666 825181221 /nfs/dbraw/zinc/18/12/21/825181221.db2.gz XHXAGSYLGUEOKZ-CYBMUJFWSA-N 2 1 299.463 -0.289 20 0 CBADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCN2)[C@@H](C)C1 ZINC001221406251 825183858 /nfs/dbraw/zinc/18/38/58/825183858.db2.gz DXNUNHIQGIFHGE-AVGNSLFASA-N 2 1 268.405 -0.217 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CC[NH3+])[C@H](C)C1 ZINC001221405839 825183982 /nfs/dbraw/zinc/18/39/82/825183982.db2.gz CDAKTLGHZZWXGU-GRYCIOLGSA-N 2 1 256.394 -0.103 20 0 CBADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])[C@H](C)C1 ZINC001221405839 825183987 /nfs/dbraw/zinc/18/39/87/825183987.db2.gz CDAKTLGHZZWXGU-GRYCIOLGSA-N 3 1 256.394 -0.103 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])[C@H](C)C1 ZINC001221405839 825183990 /nfs/dbraw/zinc/18/39/90/825183990.db2.gz CDAKTLGHZZWXGU-GRYCIOLGSA-N 3 1 256.394 -0.103 20 0 CBADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1n[nH]c(C)n1 ZINC001221406181 825184073 /nfs/dbraw/zinc/18/40/73/825184073.db2.gz DPYQWAVXFNCZOK-VIFPVBQESA-N 2 1 254.338 -0.554 20 0 CBADMP Cc1nc(CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])n[nH]1 ZINC001221408037 825185067 /nfs/dbraw/zinc/18/50/67/825185067.db2.gz OFMCKUJAJYULIS-VIFPVBQESA-N 2 1 254.338 -0.424 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[C@@H](O)C[NH3+])[C@H](C)C1 ZINC001221409968 825185940 /nfs/dbraw/zinc/18/59/40/825185940.db2.gz WCZYOOXANZLJFY-IJLUTSLNSA-N 2 1 257.378 -0.069 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@@H](C)C1 ZINC001221409891 825186111 /nfs/dbraw/zinc/18/61/11/825186111.db2.gz VLYXPNZIGUPLRY-UMSGYPCISA-N 2 1 269.389 -0.056 20 0 CBADMP C(C[N@H+]1CCNC2(CC[NH2+]CC2)C1)[C@H]1C[NH2+]CCO1 ZINC001222086243 825199409 /nfs/dbraw/zinc/19/94/09/825199409.db2.gz USQNBQKHNMLMIJ-ZDUSSCGKSA-N 3 1 268.405 -0.608 20 0 CBADMP O=c1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)n[nH]1 ZINC001222099843 825200345 /nfs/dbraw/zinc/20/03/45/825200345.db2.gz NBUNHFUXXXSWGH-UHFFFAOYSA-N 2 1 263.345 -0.290 20 0 CBADMP O=c1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)n[nH]1 ZINC001222099843 825200353 /nfs/dbraw/zinc/20/03/53/825200353.db2.gz NBUNHFUXXXSWGH-UHFFFAOYSA-N 2 1 263.345 -0.290 20 0 CBADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1CCO)CC[NH2+]CC2 ZINC001222215948 825205221 /nfs/dbraw/zinc/20/52/21/825205221.db2.gz PEXYCKDLXKPHMR-LLVKDONJSA-N 2 1 256.346 -0.014 20 0 CBADMP CCOC(=O)[C@H]1CC2(C[N@H+]1CCO)CC[NH2+]CC2 ZINC001222215948 825205230 /nfs/dbraw/zinc/20/52/30/825205230.db2.gz PEXYCKDLXKPHMR-LLVKDONJSA-N 2 1 256.346 -0.014 20 0 CBADMP C([C@@H]1C[NH2+]CCO1)N1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001222666253 825220787 /nfs/dbraw/zinc/22/07/87/825220787.db2.gz ANNBWHSJFPTERM-KBPBESRZSA-N 2 1 268.405 -0.608 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001223430193 825230139 /nfs/dbraw/zinc/23/01/39/825230139.db2.gz JAJXQLBWASYXFW-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001223430193 825230143 /nfs/dbraw/zinc/23/01/43/825230143.db2.gz JAJXQLBWASYXFW-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(N)=O)[C@H]2C1 ZINC001224245946 825233683 /nfs/dbraw/zinc/23/36/83/825233683.db2.gz NBQMGCOONGRMOF-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(N)=O)[C@H]2C1 ZINC001224245946 825233686 /nfs/dbraw/zinc/23/36/86/825233686.db2.gz NBQMGCOONGRMOF-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001224245946 825233691 /nfs/dbraw/zinc/23/36/91/825233691.db2.gz NBQMGCOONGRMOF-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001224245946 825233695 /nfs/dbraw/zinc/23/36/95/825233695.db2.gz NBQMGCOONGRMOF-OLZOCXBDSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001224560772 825243620 /nfs/dbraw/zinc/24/36/20/825243620.db2.gz XDAKVJQFXWNMPA-LBPRGKRZSA-N 2 1 296.415 -0.358 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+](CC(=O)NC)CC1 ZINC001225228137 825254043 /nfs/dbraw/zinc/25/40/43/825254043.db2.gz DHHHAYFNHGJPAI-UHFFFAOYSA-N 2 1 298.431 -0.098 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227818138 825308101 /nfs/dbraw/zinc/30/81/01/825308101.db2.gz RBTOHYJBSJHSPP-AWEZNQCLSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+](C)CC1(C(=O)NC2CC[NH+](CC(N)=O)CC2)CC1 ZINC001228888600 825323136 /nfs/dbraw/zinc/32/31/36/825323136.db2.gz JARNPWWKNLRSES-UHFFFAOYSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+](C)CCC(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001228998820 825326146 /nfs/dbraw/zinc/32/61/46/825326146.db2.gz JDOBVLZBQVVCTF-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001229504653 825332470 /nfs/dbraw/zinc/33/24/70/825332470.db2.gz XQDHZJVDDSCEOM-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[NH+](CC)CC(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001229679402 825334330 /nfs/dbraw/zinc/33/43/30/825334330.db2.gz YMMZCHNLOVMUBT-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001229860178 825338366 /nfs/dbraw/zinc/33/83/66/825338366.db2.gz NLZKZFINQRVVSM-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP CCC[N@H+](C)CC(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001230105592 825343047 /nfs/dbraw/zinc/34/30/47/825343047.db2.gz WRCYDEYCLWEWEC-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001230105592 825343054 /nfs/dbraw/zinc/34/30/54/825343054.db2.gz WRCYDEYCLWEWEC-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@H+](C)CC(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001230113019 825343477 /nfs/dbraw/zinc/34/34/77/825343477.db2.gz MXVSTQBBYYAJJM-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001230113019 825343481 /nfs/dbraw/zinc/34/34/81/825343481.db2.gz MXVSTQBBYYAJJM-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CCOCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001231369815 825406353 /nfs/dbraw/zinc/40/63/53/825406353.db2.gz WLBWKQUXYRQXDB-KBPBESRZSA-N 2 1 299.415 -0.114 20 0 CBADMP c1nc2c(cc1CN1CC[NH2+]C[C@]13CC[NH2+]C3)OCCO2 ZINC001234985320 825479946 /nfs/dbraw/zinc/47/99/46/825479946.db2.gz AGWONYSPIZBHFS-OAHLLOKOSA-N 2 1 290.367 -0.010 20 0 CBADMP Nc1ncc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)s1 ZINC001234986374 825480042 /nfs/dbraw/zinc/48/00/42/825480042.db2.gz KBBIHABDLKHRAC-LLVKDONJSA-N 2 1 253.375 -0.137 20 0 CBADMP COc1ncc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(OC)n1 ZINC001234989046 825480178 /nfs/dbraw/zinc/48/01/78/825480178.db2.gz SDEHBSLHDKEZLR-CQSZACIVSA-N 2 1 293.371 -0.369 20 0 CBADMP CC(=O)N1CCC[C@H](CN2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001234983136 825480196 /nfs/dbraw/zinc/48/01/96/825480196.db2.gz XXGVVVSQAJHSKC-LSDHHAIUSA-N 2 1 280.416 -0.118 20 0 CBADMP CC(=O)N1CCC[C@H](CN2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001234983085 825480238 /nfs/dbraw/zinc/48/02/38/825480238.db2.gz XXGVVVSQAJHSKC-GJZGRUSLSA-N 2 1 280.416 -0.118 20 0 CBADMP C(c1nc2c(s1)C[NH2+]CC2)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234986725 825480249 /nfs/dbraw/zinc/48/02/49/825480249.db2.gz CAAXRGCUXVGJCM-CQSZACIVSA-N 3 1 293.440 -0.074 20 0 CBADMP CN(C)c1ncc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cn1 ZINC001234978864 825481149 /nfs/dbraw/zinc/48/11/49/825481149.db2.gz BMTSZKRMUHKDDU-AWEZNQCLSA-N 2 1 276.388 -0.320 20 0 CBADMP CNc1nccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)n1 ZINC001234991038 825482110 /nfs/dbraw/zinc/48/21/10/825482110.db2.gz VVDPNLZEWRBAFB-CYBMUJFWSA-N 2 1 262.361 -0.344 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)[C@@H](O)[C@@H]2O1 ZINC001235031617 825483831 /nfs/dbraw/zinc/48/38/31/825483831.db2.gz LTJQELADTJZGME-WHRXGGIHSA-N 2 1 298.383 -0.091 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)[C@@H](O)[C@@H]2O1 ZINC001235031617 825483834 /nfs/dbraw/zinc/48/38/34/825483834.db2.gz LTJQELADTJZGME-WHRXGGIHSA-N 2 1 298.383 -0.091 20 0 CBADMP C(C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1)[C@H]1C[NH2+]CCO1 ZINC001235054206 825484894 /nfs/dbraw/zinc/48/48/94/825484894.db2.gz VEGOULSFCXMUOO-STQMWFEESA-N 3 1 254.378 -0.998 20 0 CBADMP C(C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1)[C@H]1C[NH2+]CCO1 ZINC001235054206 825484898 /nfs/dbraw/zinc/48/48/98/825484898.db2.gz VEGOULSFCXMUOO-STQMWFEESA-N 3 1 254.378 -0.998 20 0 CBADMP [NH3+]CCCC[N@@H+]1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001235143809 825487739 /nfs/dbraw/zinc/48/77/39/825487739.db2.gz MTNJAKXEJDDCGV-UHFFFAOYSA-N 3 1 264.377 -0.089 20 0 CBADMP [NH3+]CCCC[N@H+]1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001235143809 825487742 /nfs/dbraw/zinc/48/77/42/825487742.db2.gz MTNJAKXEJDDCGV-UHFFFAOYSA-N 3 1 264.377 -0.089 20 0 CBADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@]3(CCNC3=O)C2)O1 ZINC001235204005 825488559 /nfs/dbraw/zinc/48/85/59/825488559.db2.gz BGIJUBWOJSEBQH-GXFFZTMASA-N 2 1 253.346 -0.077 20 0 CBADMP CC1(C)NC[C@@H](C[N@H+]2CC[C@]3(CCNC3=O)C2)O1 ZINC001235204005 825488552 /nfs/dbraw/zinc/48/85/52/825488552.db2.gz BGIJUBWOJSEBQH-GXFFZTMASA-N 2 1 253.346 -0.077 20 0 CBADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@]3(CCNC3=O)C2)O1 ZINC001235204005 825488555 /nfs/dbraw/zinc/48/85/55/825488555.db2.gz BGIJUBWOJSEBQH-GXFFZTMASA-N 2 1 253.346 -0.077 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235284518 825490960 /nfs/dbraw/zinc/49/09/60/825490960.db2.gz ZKHONRTUBQEALE-MQOZHFKUSA-N 2 1 270.329 -0.887 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235284518 825490965 /nfs/dbraw/zinc/49/09/65/825490965.db2.gz ZKHONRTUBQEALE-MQOZHFKUSA-N 2 1 270.329 -0.887 20 0 CBADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C[C@@H](C)[NH3+])C2 ZINC001235337418 825494882 /nfs/dbraw/zinc/49/48/82/825494882.db2.gz MEUAEXQEYREEHG-DIACKHNESA-N 3 1 267.373 -0.336 20 0 CBADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(C[C@@H](C)[NH3+])C2 ZINC001235337418 825494887 /nfs/dbraw/zinc/49/48/87/825494887.db2.gz MEUAEXQEYREEHG-DIACKHNESA-N 2 1 267.373 -0.336 20 0 CBADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C[C@@H](C)N)C2 ZINC001235337418 825494892 /nfs/dbraw/zinc/49/48/92/825494892.db2.gz MEUAEXQEYREEHG-DIACKHNESA-N 2 1 267.373 -0.336 20 0 CBADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C[C@@H](C)N)C2 ZINC001235337418 825494897 /nfs/dbraw/zinc/49/48/97/825494897.db2.gz MEUAEXQEYREEHG-DIACKHNESA-N 2 1 267.373 -0.336 20 0 CBADMP C[C@@H]([NH3+])CN1CCC2(CC1)C(=O)N(C)CC[N@H+]2C ZINC001235538264 825500572 /nfs/dbraw/zinc/50/05/72/825500572.db2.gz RMAOBWTUMPHZLU-LLVKDONJSA-N 2 1 254.378 -0.428 20 0 CBADMP C[C@@H]([NH3+])CN1CCC2(CC1)C(=O)N(C)CC[N@@H+]2C ZINC001235538264 825500581 /nfs/dbraw/zinc/50/05/81/825500581.db2.gz RMAOBWTUMPHZLU-LLVKDONJSA-N 2 1 254.378 -0.428 20 0 CBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(CC[NH3+])C2)C1 ZINC001235520433 825500804 /nfs/dbraw/zinc/50/08/04/825500804.db2.gz PPDRFFSQIWYZTF-CQSZACIVSA-N 2 1 284.404 -0.895 20 0 CBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(CC[NH3+])C2)C1 ZINC001235520433 825500808 /nfs/dbraw/zinc/50/08/08/825500808.db2.gz PPDRFFSQIWYZTF-CQSZACIVSA-N 2 1 284.404 -0.895 20 0 CBADMP [NH3+]CCCC[N@H+]1CC[C@H]2O[C@@H](C(=O)N3CCOCC3)C[C@H]21 ZINC001235546030 825503483 /nfs/dbraw/zinc/50/34/83/825503483.db2.gz GKALGRGXZKAWOQ-MGPQQGTHSA-N 2 1 297.399 -0.184 20 0 CBADMP CC(=O)NCc1nnn2c1C[N@@H+](CCCC[NH3+])CCC2 ZINC001235574342 825504246 /nfs/dbraw/zinc/50/42/46/825504246.db2.gz AVGFWCZKWDCRDY-UHFFFAOYSA-N 2 1 280.376 -0.141 20 0 CBADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(CC[NH3+])CC[C@@H]21 ZINC001235596824 825506036 /nfs/dbraw/zinc/50/60/36/825506036.db2.gz LJEDUVUVICOFKA-AGIUHOORSA-N 2 1 264.377 -0.369 20 0 CBADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CCO)CC[C@@H]21 ZINC001235596786 825506409 /nfs/dbraw/zinc/50/64/09/825506409.db2.gz KVAARYRARCWNHU-AGIUHOORSA-N 2 1 265.361 -0.335 20 0 CBADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CCO)CC[C@@H]21 ZINC001235596786 825506415 /nfs/dbraw/zinc/50/64/15/825506415.db2.gz KVAARYRARCWNHU-AGIUHOORSA-N 2 1 265.361 -0.335 20 0 CBADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCO)CC[C@@H]21 ZINC001235596786 825506420 /nfs/dbraw/zinc/50/64/20/825506420.db2.gz KVAARYRARCWNHU-AGIUHOORSA-N 2 1 265.361 -0.335 20 0 CBADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CCO)CC[C@@H]21 ZINC001235596786 825506424 /nfs/dbraw/zinc/50/64/24/825506424.db2.gz KVAARYRARCWNHU-AGIUHOORSA-N 2 1 265.361 -0.335 20 0 CBADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@@H](C[NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001235751427 825513301 /nfs/dbraw/zinc/51/33/01/825513301.db2.gz YTOGDMXHSWSHAR-SVNGYHJRSA-N 2 1 272.345 -0.496 20 0 CBADMP C[NH+]1CCC(CC[NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001235869040 825515898 /nfs/dbraw/zinc/51/58/98/825515898.db2.gz IPSNMSCSTYWFRA-UHFFFAOYSA-N 3 1 297.491 -0.197 20 0 CBADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1CN(CC[NH3+])CC[NH3+] ZINC001235876654 825518130 /nfs/dbraw/zinc/51/81/30/825518130.db2.gz HCVWYFNCQDHKAC-UWVGGRQHSA-N 3 1 250.337 -0.303 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3cnn[nH]3)C[C@H]1C2 ZINC001236022722 825519304 /nfs/dbraw/zinc/51/93/04/825519304.db2.gz MVNLYZTXJCHZBI-LEKOTGGOSA-N 2 1 291.355 -0.365 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3c[nH]nn3)C[C@H]1C2 ZINC001236022722 825519313 /nfs/dbraw/zinc/51/93/13/825519313.db2.gz MVNLYZTXJCHZBI-LEKOTGGOSA-N 2 1 291.355 -0.365 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3c[nH]nn3)C[C@H]1C2 ZINC001236022722 825519318 /nfs/dbraw/zinc/51/93/18/825519318.db2.gz MVNLYZTXJCHZBI-LEKOTGGOSA-N 2 1 291.355 -0.365 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3cn[nH]n3)C[C@H]1C2 ZINC001236022722 825519325 /nfs/dbraw/zinc/51/93/25/825519325.db2.gz MVNLYZTXJCHZBI-LEKOTGGOSA-N 2 1 291.355 -0.365 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3cn[nH]n3)C[C@H]1C2 ZINC001236022722 825519331 /nfs/dbraw/zinc/51/93/31/825519331.db2.gz MVNLYZTXJCHZBI-LEKOTGGOSA-N 2 1 291.355 -0.365 20 0 CBADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](CC3C[NH2+]C3)C[C@H]1C2 ZINC001236020322 825519364 /nfs/dbraw/zinc/51/93/64/825519364.db2.gz GBAPEYCSTFFUPP-COMQUAJESA-N 3 1 279.384 -0.464 20 0 CBADMP CCOC(=O)[C@]12CN(Cc3c[nH]c(N)[nH+]3)C[C@H]1C[NH2+]CC2 ZINC001236041578 825520835 /nfs/dbraw/zinc/52/08/35/825520835.db2.gz ISFBKERHQVISNF-QMTHXVAHSA-N 2 1 293.371 -0.034 20 0 CBADMP C[N@@H+](CCCC[NH3+])C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001236143174 825523556 /nfs/dbraw/zinc/52/35/56/825523556.db2.gz SSBIHPSQAISDGU-USZNOCQGSA-N 2 1 274.361 -0.106 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cnc2n1CC[NH2+]C2 ZINC001236202294 825525519 /nfs/dbraw/zinc/52/55/19/825525519.db2.gz PXCPLPHKVWYXKL-KOLCDFICSA-N 2 1 279.344 -0.939 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CC2(C)CC[NH2+]CC2)C[C@H]1N ZINC001236340004 825526778 /nfs/dbraw/zinc/52/67/78/825526778.db2.gz GWULVILKTCXGEO-GHMZBOCLSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@@H]1CN(CC2(C)CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001236340004 825526783 /nfs/dbraw/zinc/52/67/83/825526783.db2.gz GWULVILKTCXGEO-GHMZBOCLSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1N ZINC001236344762 825527845 /nfs/dbraw/zinc/52/78/45/825527845.db2.gz SJXMCQMFHLXXBJ-UTUOFQBUSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC001236344762 825527849 /nfs/dbraw/zinc/52/78/49/825527849.db2.gz SJXMCQMFHLXXBJ-UTUOFQBUSA-N 2 1 255.362 -0.192 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](CCCC[NH3+])CCN1C(C)=O ZINC001236528846 825531889 /nfs/dbraw/zinc/53/18/89/825531889.db2.gz TVCUYUQYRVCYLA-NSHDSACASA-N 2 1 257.334 -0.569 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](CCCC[NH3+])CCN1C(C)=O ZINC001236528846 825531894 /nfs/dbraw/zinc/53/18/94/825531894.db2.gz TVCUYUQYRVCYLA-NSHDSACASA-N 2 1 257.334 -0.569 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](Cc2c[nH]ccc2=O)CCC1=O ZINC001237848725 825543856 /nfs/dbraw/zinc/54/38/56/825543856.db2.gz QDMJFEPENPPXCK-UHFFFAOYSA-N 2 1 292.383 -0.029 20 0 CBADMP CC(C)(C)C[N@H+]1CC[C@H](NS(=O)(=O)CC[NH3+])C1 ZINC001238807157 825565326 /nfs/dbraw/zinc/56/53/26/825565326.db2.gz DCMULCAUDYMQHO-JTQLQIEISA-N 2 1 263.407 -0.015 20 0 CBADMP [NH3+][C@@H]1CN(S(=O)(=O)[C@H]2CC[NH2+]C2)CCC1(F)F ZINC001238984682 825580784 /nfs/dbraw/zinc/58/07/84/825580784.db2.gz SDCLHOAAWABLBR-JGVFFNPUSA-N 2 1 269.317 -0.654 20 0 CBADMP [NH3+][C@H]1CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CCC1(F)F ZINC001238984683 825580402 /nfs/dbraw/zinc/58/04/02/825580402.db2.gz SDCLHOAAWABLBR-SFYZADRCSA-N 2 1 269.317 -0.654 20 0 CBADMP [NH3+]CCS(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001238986226 825580510 /nfs/dbraw/zinc/58/05/10/825580510.db2.gz JQRGPRCNLAZVIT-LBPRGKRZSA-N 2 1 269.370 -0.079 20 0 CBADMP [NH3+]CCS(=O)(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001238986830 825581087 /nfs/dbraw/zinc/58/10/87/825581087.db2.gz ABVAVTXDCOYLMZ-CYBMUJFWSA-N 2 1 283.397 -0.209 20 0 CBADMP [NH3+]CCS(=O)(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001238986831 825581335 /nfs/dbraw/zinc/58/13/35/825581335.db2.gz ABVAVTXDCOYLMZ-ZDUSSCGKSA-N 2 1 283.397 -0.209 20 0 CBADMP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CCC[NH2+]C1 ZINC001239362136 825600752 /nfs/dbraw/zinc/60/07/52/825600752.db2.gz QQHBVLURUPJCLY-LBPRGKRZSA-N 2 1 286.445 -0.075 20 0 CBADMP CC[C@H]([NH3+])CNC(=S)NCCC[NH+]1CCOCC1 ZINC001239381375 825601485 /nfs/dbraw/zinc/60/14/85/825601485.db2.gz WBAAKOCHRKKUJE-NSHDSACASA-N 2 1 274.434 -0.090 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCC1(F)F ZINC001246018534 825621836 /nfs/dbraw/zinc/62/18/36/825621836.db2.gz DULGGMRDOLTKNT-NWDGAFQWSA-N 2 1 293.358 -0.405 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCC1(F)F ZINC001246018534 825621842 /nfs/dbraw/zinc/62/18/42/825621842.db2.gz DULGGMRDOLTKNT-NWDGAFQWSA-N 2 1 293.358 -0.405 20 0 CBADMP C[C@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)C[C@H]1C[NH3+] ZINC001246018204 825622559 /nfs/dbraw/zinc/62/25/59/825622559.db2.gz VFYXTPOOHFVGKA-XQQFMLRXSA-N 2 1 257.378 -0.794 20 0 CBADMP [NH3+]C[C@]1(O)CCC[N@@H+](C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001246021021 825623947 /nfs/dbraw/zinc/62/39/47/825623947.db2.gz MRXMFBQDJJETKC-STQMWFEESA-N 3 1 257.378 -0.723 20 0 CBADMP [NH3+]C[C@]1(O)CCCN(C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001246021021 825623952 /nfs/dbraw/zinc/62/39/52/825623952.db2.gz MRXMFBQDJJETKC-STQMWFEESA-N 2 1 257.378 -0.723 20 0 CBADMP [NH3+][C@@H]1CN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1O ZINC001246021178 825623991 /nfs/dbraw/zinc/62/39/91/825623991.db2.gz MXRMIILATLSINF-OAGGEKHMSA-N 2 1 291.395 -0.373 20 0 CBADMP [NH3+][C@@H]1CN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1O ZINC001246021110 825624307 /nfs/dbraw/zinc/62/43/07/825624307.db2.gz MXRMIILATLSINF-BZUAXINKSA-N 2 1 291.395 -0.373 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@H]1O ZINC001246021425 825624654 /nfs/dbraw/zinc/62/46/54/825624654.db2.gz MFUKMBBWRASWEL-RRFJBIMHSA-N 2 1 280.368 -0.185 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)COCc2ccccc2)C[C@H]1O ZINC001246021426 825624712 /nfs/dbraw/zinc/62/47/12/825624712.db2.gz MFUKMBBWRASWEL-SOUVJXGZSA-N 2 1 280.368 -0.185 20 0 CBADMP C[C@]1([NH3+])CCC[N@@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001246021606 825624812 /nfs/dbraw/zinc/62/48/12/825624812.db2.gz ODDNPPDPZAMAHY-KGLIPLIRSA-N 2 1 271.405 -0.117 20 0 CBADMP Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246026105 825625429 /nfs/dbraw/zinc/62/54/29/825625429.db2.gz ZMJQZCNYKNTDKC-GUTXKFCHSA-N 2 1 280.368 -0.014 20 0 CBADMP Cc1ccc(OC[C@H](O)C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246026105 825625435 /nfs/dbraw/zinc/62/54/35/825625435.db2.gz ZMJQZCNYKNTDKC-GUTXKFCHSA-N 2 1 280.368 -0.014 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2)C[C@@H]1O ZINC001246025953 825625694 /nfs/dbraw/zinc/62/56/94/825625694.db2.gz YMRDKZGNDJIGPB-SCRDCRAPSA-N 2 1 266.341 -0.322 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@@H]1O ZINC001246025953 825625698 /nfs/dbraw/zinc/62/56/98/825625698.db2.gz YMRDKZGNDJIGPB-SCRDCRAPSA-N 2 1 266.341 -0.322 20 0 CBADMP Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246025990 825626551 /nfs/dbraw/zinc/62/65/51/825626551.db2.gz YPAMSXVBWCKPBK-MJBXVCDLSA-N 2 1 280.368 -0.014 20 0 CBADMP Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246025990 825626554 /nfs/dbraw/zinc/62/65/54/825626554.db2.gz YPAMSXVBWCKPBK-MJBXVCDLSA-N 2 1 280.368 -0.014 20 0 CBADMP O[C@]1(CN2CCNC[C@]3(CCCC[NH2+]3)C2)CCC[NH2+]C1 ZINC001246026737 825626793 /nfs/dbraw/zinc/62/67/93/825626793.db2.gz ITMKHFLUOSVELV-HUUCEWRRSA-N 2 1 282.432 -0.482 20 0 CBADMP CCCCOC[C@H](O)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246028970 825627194 /nfs/dbraw/zinc/62/71/94/825627194.db2.gz ODNITVOEQIBJFG-ZIAGYGMSSA-N 2 1 271.405 -0.199 20 0 CBADMP CCCCOC[C@@H](O)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246030469 825627210 /nfs/dbraw/zinc/62/72/10/825627210.db2.gz YKDVMPWEPWFQHR-UONOGXRCSA-N 2 1 271.405 -0.199 20 0 CBADMP CCCCOC[C@@H](O)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246030469 825627213 /nfs/dbraw/zinc/62/72/13/825627213.db2.gz YKDVMPWEPWFQHR-UONOGXRCSA-N 2 1 271.405 -0.199 20 0 CBADMP O[C@@]1(CN2CCNC[C@@]3(CCCC[NH2+]3)C2)CC[NH2+]C1 ZINC001246030325 825627532 /nfs/dbraw/zinc/62/75/32/825627532.db2.gz RTANJPZJOYXTCU-KBPBESRZSA-N 2 1 268.405 -0.872 20 0 CBADMP CCCCOC[C@H](O)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246030473 825627673 /nfs/dbraw/zinc/62/76/73/825627673.db2.gz YKDVMPWEPWFQHR-ZIAGYGMSSA-N 2 1 271.405 -0.199 20 0 CBADMP CCCCOC[C@H](O)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246030473 825627676 /nfs/dbraw/zinc/62/76/76/825627676.db2.gz YKDVMPWEPWFQHR-ZIAGYGMSSA-N 2 1 271.405 -0.199 20 0 CBADMP CC(C)OC[C@@H](O)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246031972 825627902 /nfs/dbraw/zinc/62/79/02/825627902.db2.gz XCOGYOYUGWCQLS-QWHCGFSZSA-N 2 1 257.378 -0.590 20 0 CBADMP FC1(F)CCNC[C@@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246089693 825634721 /nfs/dbraw/zinc/63/47/21/825634721.db2.gz RYHVRGVYQKGHBU-MNOVXSKESA-N 2 1 274.359 -0.085 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCNCC2)CN1 ZINC001246089646 825635110 /nfs/dbraw/zinc/63/51/10/825635110.db2.gz REAPFJWFGXGZGL-KBPBESRZSA-N 2 1 298.431 -0.445 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@H]2C)CN1 ZINC001246108080 825636343 /nfs/dbraw/zinc/63/63/43/825636343.db2.gz BVXTVCOOYSWQIR-NOOOWODRSA-N 2 1 255.362 -0.275 20 0 CBADMP COC(=O)[C@@H]1CC[C@H](n2c[nH+]cc2CC[NH3+])CN1 ZINC001246101419 825636416 /nfs/dbraw/zinc/63/64/16/825636416.db2.gz LQNNPMSAJFUCFK-ONGXEEELSA-N 2 1 252.318 -0.150 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CC[C@@H]2C)CN1 ZINC001246108534 825636527 /nfs/dbraw/zinc/63/65/27/825636527.db2.gz BVXTVCOOYSWQIR-USZNOCQGSA-N 2 1 255.362 -0.275 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+][C@@H]2C)CN1 ZINC001246111959 825636562 /nfs/dbraw/zinc/63/65/62/825636562.db2.gz PSZAAHPPQSATQE-RHYQMDGZSA-N 2 1 255.362 -0.132 20 0 CBADMP C[C@@H]1CC[C@H]([NH2+]CC2(C(N)=O)CCOCC2)C[NH2+]1 ZINC001246097621 825636614 /nfs/dbraw/zinc/63/66/14/825636614.db2.gz ZIWYHOVEXZNULF-MNOVXSKESA-N 2 1 255.362 -0.001 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)CN1 ZINC001246100653 825636806 /nfs/dbraw/zinc/63/68/06/825636806.db2.gz TZZOMHFMLMUFOS-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP O=c1cc(CN[C@@H]2CCC[NH2+]C2)nc2n1CCC[NH2+]C2 ZINC001246132599 825638896 /nfs/dbraw/zinc/63/88/96/825638896.db2.gz MDXKRJIHPATDFD-LLVKDONJSA-N 2 1 277.372 -0.422 20 0 CBADMP COC(=O)[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CN1 ZINC001246145322 825640985 /nfs/dbraw/zinc/64/09/85/825640985.db2.gz MEDWIQIJWSWXFW-YNEHKIRRSA-N 2 1 296.415 -0.646 20 0 CBADMP C(NC1C[C@@H]2COC[C@H](C1)[NH2+]2)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246145962 825641188 /nfs/dbraw/zinc/64/11/88/825641188.db2.gz MVZBKVYNUGHYRZ-FFHGMXDLSA-N 3 1 294.443 -0.030 20 0 CBADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CN1 ZINC001246145309 825641203 /nfs/dbraw/zinc/64/12/03/825641203.db2.gz MEDWIQIJWSWXFW-RWMBFGLXSA-N 2 1 296.415 -0.646 20 0 CBADMP C[N@H+]1CCC[C@H](N[C@]23CC[NH2+][C@@H]2CC(=O)N3)CC1 ZINC001246147907 825641628 /nfs/dbraw/zinc/64/16/28/825641628.db2.gz MJGCJUZCCJTXQN-LOWVWBTDSA-N 2 1 252.362 -0.362 20 0 CBADMP F[C@@]1(CN[C@H]2CCNC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246180151 825645516 /nfs/dbraw/zinc/64/55/16/825645516.db2.gz PZQIJEBNDSWYIC-RYUDHWBXSA-N 2 1 256.369 -0.238 20 0 CBADMP COC(=O)[C@@H]1C[C@H](n2c(C)c[nH+]c2CC[NH3+])CN1 ZINC001246181497 825645767 /nfs/dbraw/zinc/64/57/67/825645767.db2.gz VAFDSXGTUYMCGJ-UWVGGRQHSA-N 2 1 252.318 -0.231 20 0 CBADMP COC(=O)[C@@H]1C[C@H](n2c(C)cnc2CC[NH3+])C[NH2+]1 ZINC001246181497 825645769 /nfs/dbraw/zinc/64/57/69/825645769.db2.gz VAFDSXGTUYMCGJ-UWVGGRQHSA-N 2 1 252.318 -0.231 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)CN1 ZINC001246178438 825645814 /nfs/dbraw/zinc/64/58/14/825645814.db2.gz XFTLPNIUBCLAMB-SRVKXCTJSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@H](N[C@H]2C[NH2+]CC[C@H]2F)C[NH2+]1 ZINC001246218450 825651870 /nfs/dbraw/zinc/65/18/70/825651870.db2.gz SYOLDLIJMIOLOS-NOHGZBONSA-N 2 1 273.352 -0.040 20 0 CBADMP CO[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246217175 825652186 /nfs/dbraw/zinc/65/21/86/825652186.db2.gz FERHLAFLPDNKKI-QJPTWQEYSA-N 2 1 254.378 -0.953 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246215354 825652263 /nfs/dbraw/zinc/65/22/63/825652263.db2.gz SPIYJIXRQHAVNE-MXWKQRLJSA-N 3 1 285.392 -0.479 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CN1 ZINC001246232025 825654305 /nfs/dbraw/zinc/65/43/05/825654305.db2.gz PPRJJOIWKBLHPF-GUBZILKMSA-N 2 1 277.315 -0.276 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)CN1 ZINC001246241409 825655250 /nfs/dbraw/zinc/65/52/50/825655250.db2.gz WWZRBUVJYWOHJB-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)CN1 ZINC001246241409 825655254 /nfs/dbraw/zinc/65/52/54/825655254.db2.gz WWZRBUVJYWOHJB-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP Cc1nc(CC[NH3+])nn1[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246245864 825655670 /nfs/dbraw/zinc/65/56/70/825655670.db2.gz UFTUYBKFEGBZBF-JTQLQIEISA-N 2 1 250.350 -0.646 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([NH2+]CCN2CCC[N@@H+](C)CC2)CN1 ZINC001246242496 825655947 /nfs/dbraw/zinc/65/59/47/825655947.db2.gz YCCYCBKIIUMWSA-STQMWFEESA-N 2 1 284.404 -0.883 20 0 CBADMP COC(=O)[C@@H]1CC[C@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)CN1 ZINC001246249192 825657027 /nfs/dbraw/zinc/65/70/27/825657027.db2.gz JUMQBNCKVAZPJW-SCVCMEIPSA-N 2 1 282.344 -0.789 20 0 CBADMP CC(=O)N[C@@H](CCCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1)C(N)=O ZINC001246269118 825657989 /nfs/dbraw/zinc/65/79/89/825657989.db2.gz KXXUUCUFFQZLAB-DRZSPHRISA-N 2 1 284.404 -0.123 20 0 CBADMP CC(=O)N[C@@H](CCCC[NH2+][C@H]1CCC[NH2+]C1)C(N)=O ZINC001246266381 825658235 /nfs/dbraw/zinc/65/82/35/825658235.db2.gz BQWXMEPLKRTAMT-RYUDHWBXSA-N 2 1 270.377 -0.512 20 0 CBADMP O=C(N1CCC([NH2+][C@H]2C[NH2+]C[C@@H]2CO)CC1)C(F)(F)F ZINC001246299573 825662114 /nfs/dbraw/zinc/66/21/14/825662114.db2.gz MRIIXZFGHNUTSC-SCZZXKLOSA-N 2 1 295.305 -0.290 20 0 CBADMP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246305141 825662248 /nfs/dbraw/zinc/66/22/48/825662248.db2.gz GRUNTUYFINFQOW-XWLWVQCSSA-N 2 1 271.361 -0.217 20 0 CBADMP C[C@H]1CC[C@H]([NH2+]CCCN2CCS(=O)(=O)CC2)C[NH2+]1 ZINC001246331422 825665596 /nfs/dbraw/zinc/66/55/96/825665596.db2.gz BINYGUSZTKILPY-STQMWFEESA-N 2 1 289.445 -0.163 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2OC)CN1 ZINC001246348896 825666982 /nfs/dbraw/zinc/66/69/82/825666982.db2.gz MVKSDRUFNBJWEG-FIQHERPVSA-N 2 1 271.361 -0.754 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2F)C[NH2+]1 ZINC001246483383 825676354 /nfs/dbraw/zinc/67/63/54/825676354.db2.gz SYOLDLIJMIOLOS-XZUYRWCXSA-N 2 1 273.352 -0.040 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@@H](N[C@@H]2C[NH2+]CC[C@H]2F)C[NH2+]1 ZINC001246491553 825677204 /nfs/dbraw/zinc/67/72/04/825677204.db2.gz SYOLDLIJMIOLOS-UZWSLXQKSA-N 2 1 273.352 -0.040 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246514098 825678182 /nfs/dbraw/zinc/67/81/82/825678182.db2.gz YZVMDALLBWVSHD-WOPDTQHZSA-N 3 1 256.394 -0.040 20 0 CBADMP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246514097 825679197 /nfs/dbraw/zinc/67/91/97/825679197.db2.gz YZVMDALLBWVSHD-UTUOFQBUSA-N 3 1 256.394 -0.040 20 0 CBADMP C[NH2+]C1CN([C@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)C1 ZINC001246523031 825679992 /nfs/dbraw/zinc/67/99/92/825679992.db2.gz LIBPCWNPRMSLKI-MNOVXSKESA-N 2 1 255.362 -0.038 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@H](N2C[C@@H](F)[C@@H]([NH3+])C2)C[NH2+]1 ZINC001246527124 825681997 /nfs/dbraw/zinc/68/19/97/825681997.db2.gz SIAYSOIBAIVCDJ-WYFGTUCQSA-N 2 1 259.325 -0.349 20 0 CBADMP [NH3+]C[C@@]1(O)CCC[N@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)CC1 ZINC001246540882 825682269 /nfs/dbraw/zinc/68/22/69/825682269.db2.gz FTBUVZRAOZVZSQ-CHWSQXEVSA-N 3 1 269.389 -0.317 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2C[C@@H](C)CC[C@@H]2C[NH3+])C[NH2+]1 ZINC001246555279 825683872 /nfs/dbraw/zinc/68/38/72/825683872.db2.gz GFHFOVLZQQLLJI-WHOHXGKFSA-N 2 1 255.362 -0.051 20 0 CBADMP C[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1C[NH3+] ZINC001246551956 825684884 /nfs/dbraw/zinc/68/48/84/825684884.db2.gz MVBAHGDNOZVYEP-FRRDWIJNSA-N 3 1 252.406 -0.003 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2C[C@H](C)CC[C@@H]2C[NH3+])C[NH2+]1 ZINC001246555280 825685188 /nfs/dbraw/zinc/68/51/88/825685188.db2.gz GFHFOVLZQQLLJI-WISYIIOYSA-N 2 1 255.362 -0.051 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC(F)(F)[C@H](C[NH3+])C2)C[NH2+]1 ZINC001246565836 825685749 /nfs/dbraw/zinc/68/57/49/825685749.db2.gz ZSTKCJZFXLNEGP-UTLUCORTSA-N 2 1 277.315 -0.194 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)CCN1 ZINC001246562518 825685929 /nfs/dbraw/zinc/68/59/29/825685929.db2.gz STAFYXHHUWIFLU-DYEKYZERSA-N 2 1 285.388 -0.544 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCCC[C@](O)(C[NH3+])C2)C[NH2+]1 ZINC001246559863 825686144 /nfs/dbraw/zinc/68/61/44/825686144.db2.gz OGDZHNIUQTUHIW-GVXVVHGQSA-N 2 1 271.361 -0.934 20 0 CBADMP [NH3+]C[C@]1(O)CCCC[N@H+](C2C[C@@H]3COC[C@H](C2)N3)C1 ZINC001246558987 825686696 /nfs/dbraw/zinc/68/66/96/825686696.db2.gz MSASVPVIBUZAFJ-QNMSZWNNSA-N 2 1 269.389 -0.319 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC[C@H](C[NH3+])[C@H]2C)C[NH2+]1 ZINC001246567335 825687889 /nfs/dbraw/zinc/68/78/89/825687889.db2.gz XISZLVPKJCOVPS-WYUUTHIRSA-N 2 1 255.362 -0.051 20 0 CBADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246579625 825688567 /nfs/dbraw/zinc/68/85/67/825688567.db2.gz FXGPQPKVVPCEOM-RHYQMDGZSA-N 2 1 256.346 -0.030 20 0 CBADMP COC(=O)[C@H]1C[C@@H](N2C[C@@H]([NH3+])CC(F)(F)C2)C[NH2+]1 ZINC001246576176 825688672 /nfs/dbraw/zinc/68/86/72/825688672.db2.gz RHZHAIHZEHYCNZ-DJLDLDEBSA-N 2 1 263.288 -0.442 20 0 CBADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CO1 ZINC001246577998 825689155 /nfs/dbraw/zinc/68/91/55/825689155.db2.gz CXHJAUFOCWLSNP-QCNOEVLYSA-N 2 1 272.345 -0.652 20 0 CBADMP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CO1 ZINC001246578857 825689235 /nfs/dbraw/zinc/68/92/35/825689235.db2.gz CXHJAUFOCWLSNP-WHOHXGKFSA-N 2 1 272.345 -0.652 20 0 CBADMP CCOC(=O)N1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246578047 825689472 /nfs/dbraw/zinc/68/94/72/825689472.db2.gz FCRNSLTVLNDPEE-DCAQKATOSA-N 2 1 257.334 -0.531 20 0 CBADMP CCOC(=O)N1CC[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246578047 825689477 /nfs/dbraw/zinc/68/94/77/825689477.db2.gz FCRNSLTVLNDPEE-DCAQKATOSA-N 2 1 257.334 -0.531 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCO[C@H](C[NH+](C)C)C2)C[NH2+]1 ZINC001246587653 825690957 /nfs/dbraw/zinc/69/09/57/825690957.db2.gz SYRNKKZNZZKGDP-UTUOFQBUSA-N 2 1 271.361 -0.848 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCC[C@H](n3ncnn3)C2)C[C@@H]1O ZINC001246585192 825690975 /nfs/dbraw/zinc/69/09/75/825690975.db2.gz OVOADNQPNRZOBA-BJDJZHNGSA-N 2 1 266.349 -0.592 20 0 CBADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCC[C@H](n3ncnn3)C2)C[C@@H]1O ZINC001246585197 825691613 /nfs/dbraw/zinc/69/16/13/825691613.db2.gz OVOADNQPNRZOBA-USZNOCQGSA-N 2 1 266.349 -0.592 20 0 CBADMP COC(=O)N1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246596460 825692601 /nfs/dbraw/zinc/69/26/01/825692601.db2.gz QQLTXPVDTFVITM-GFCCVEGCSA-N 2 1 282.388 -0.146 20 0 CBADMP COC(=O)[C@H]1C[C@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CN1 ZINC001246592565 825692897 /nfs/dbraw/zinc/69/28/97/825692897.db2.gz KJTGGPJBLMIHSQ-SDDRHHMPSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@H]1C[C@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CN1 ZINC001246592565 825692899 /nfs/dbraw/zinc/69/28/99/825692899.db2.gz KJTGGPJBLMIHSQ-SDDRHHMPSA-N 2 1 255.362 -0.049 20 0 CBADMP COC(=O)[C@H]1C[C@H](N2CCCC[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246592565 825692900 /nfs/dbraw/zinc/69/29/00/825692900.db2.gz KJTGGPJBLMIHSQ-SDDRHHMPSA-N 2 1 255.362 -0.049 20 0 CBADMP O=S1(=O)CCC(N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246617620 825695581 /nfs/dbraw/zinc/69/55/81/825695581.db2.gz HTMYVSZQXHHTOP-STQMWFEESA-N 2 1 287.429 -0.411 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@]23CCC[NH2+]C3)C[NH2+]1 ZINC001246608052 825695653 /nfs/dbraw/zinc/69/56/53/825695653.db2.gz VQEFHKLIMQQBES-GMXVVIOVSA-N 2 1 253.346 -0.282 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC[C@]3(CC[NH2+]3)C2)C[NH2+]1 ZINC001246615980 825695703 /nfs/dbraw/zinc/69/57/03/825695703.db2.gz YZINPPVOVZGPJS-MDZLAQPJSA-N 2 1 253.346 -0.282 20 0 CBADMP COC(=O)CC[C@H](C)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246623909 825696502 /nfs/dbraw/zinc/69/65/02/825696502.db2.gz MAPTVTFUFQDHPC-WCQYABFASA-N 2 1 255.362 -0.035 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@@H+]1CCO[C@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246622757 825696687 /nfs/dbraw/zinc/69/66/87/825696687.db2.gz RVTQKUIJGSMYBR-ZFWWWQNUSA-N 3 1 280.416 -0.465 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCO[C@]3(CCC[NH2+]C3)C1)CCN2 ZINC001246622757 825696691 /nfs/dbraw/zinc/69/66/91/825696691.db2.gz RVTQKUIJGSMYBR-ZFWWWQNUSA-N 3 1 280.416 -0.465 20 0 CBADMP C1[NH2+]CC12CC[C@H](N1CC[NH2+]C[C@]13CC[NH2+]C3)C2 ZINC001246624445 825696785 /nfs/dbraw/zinc/69/67/85/825696785.db2.gz NBENOWFBBVOTOF-GXTWGEPZSA-N 3 1 250.390 -0.234 20 0 CBADMP CCOC(=O)N1CC[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001246621275 825696790 /nfs/dbraw/zinc/69/67/90/825696790.db2.gz CCIQQNYPDZMRIE-OCCSQVGLSA-N 2 1 282.388 -0.146 20 0 CBADMP C1C[C@@]2(C[NH2+]1)C[NH2+]CCN2[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246625191 825696944 /nfs/dbraw/zinc/69/69/44/825696944.db2.gz PQHKVKMLZRFEGH-XJFOESAGSA-N 3 1 250.390 -0.378 20 0 CBADMP O=S1(=O)CCC(N2CC[NH2+]C[C@@]23CC[NH2+]C3)CC1 ZINC001246628156 825697952 /nfs/dbraw/zinc/69/79/52/825697952.db2.gz XSTMAIJPKREFRL-LBPRGKRZSA-N 2 1 273.402 -0.799 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246631520 825698099 /nfs/dbraw/zinc/69/80/99/825698099.db2.gz QDGQMRXVGMGWFH-GMXVVIOVSA-N 2 1 253.346 -0.425 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CN1 ZINC001246631072 825698307 /nfs/dbraw/zinc/69/83/07/825698307.db2.gz ONANYCMMXORZPQ-OBJOEFQTSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)CN1 ZINC001246631072 825698308 /nfs/dbraw/zinc/69/83/08/825698308.db2.gz ONANYCMMXORZPQ-OBJOEFQTSA-N 2 1 267.373 -0.035 20 0 CBADMP c1nnn([C@@H]2CCC[C@H](N3CC[NH2+]C[C@]34CC[NH2+]C4)C2)n1 ZINC001246632674 825698561 /nfs/dbraw/zinc/69/85/61/825698561.db2.gz WLPXAFZOXOXIFC-BFHYXJOUSA-N 2 1 291.403 -0.206 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@@]3(CC[NH2+]C3)C1)CCN2 ZINC001246629688 825698577 /nfs/dbraw/zinc/69/85/77/825698577.db2.gz HHPOZHQIEWBHLZ-CHWSQXEVSA-N 3 1 250.390 -0.234 20 0 CBADMP c1nnn([C@@H]2CCC[C@H]([N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)C2)n1 ZINC001246633336 825699302 /nfs/dbraw/zinc/69/93/02/825699302.db2.gz CIHLDIPHMMBSLS-BFHYXJOUSA-N 2 1 291.403 -0.206 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@@H]3NCCO[C@H]3C1)CCN2 ZINC001246635472 825699465 /nfs/dbraw/zinc/69/94/65/825699465.db2.gz VAEXEDVVZCHINR-AVGNSLFASA-N 2 1 266.389 -0.857 20 0 CBADMP COC(=O)CC[C@H](C)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246645067 825700336 /nfs/dbraw/zinc/70/03/36/825700336.db2.gz SRZYQNJCKQNZPY-AAEUAGOBSA-N 2 1 255.362 -0.035 20 0 CBADMP COC(=O)CC[C@H](C)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246645067 825700339 /nfs/dbraw/zinc/70/03/39/825700339.db2.gz SRZYQNJCKQNZPY-AAEUAGOBSA-N 2 1 255.362 -0.035 20 0 CBADMP C1CC2(CC[NH2+]CC2)[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246643080 825700501 /nfs/dbraw/zinc/70/05/01/825700501.db2.gz QDZPKKZHSYDVGN-LBPRGKRZSA-N 3 1 250.390 -0.092 20 0 CBADMP C1[NH2+]CC12CC[C@H]([N@H+]1CCN[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246641467 825700655 /nfs/dbraw/zinc/70/06/55/825700655.db2.gz IIWRWDBWRBYZEY-GXTWGEPZSA-N 3 1 250.390 -0.234 20 0 CBADMP C1CC2(CC[NH2+]CC2)[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246643078 825700714 /nfs/dbraw/zinc/70/07/14/825700714.db2.gz QDZPKKZHSYDVGN-GFCCVEGCSA-N 3 1 250.390 -0.092 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCOC[C@]3(CCC[NH2+]C3)C2)C[NH2+]1 ZINC001246644815 825701254 /nfs/dbraw/zinc/70/12/54/825701254.db2.gz JFPXIUHRGLGBEA-YDHLFZDLSA-N 2 1 297.399 -0.408 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCOC[C@@]3(CCC[NH2+]C3)C2)C[NH2+]1 ZINC001246644811 825701551 /nfs/dbraw/zinc/70/15/51/825701551.db2.gz JFPXIUHRGLGBEA-KCQAQPDRSA-N 2 1 297.399 -0.408 20 0 CBADMP CC(=O)N1CCC[C@@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246646174 825702315 /nfs/dbraw/zinc/70/23/15/825702315.db2.gz WRXJNKCPZPSAED-ZIAGYGMSSA-N 2 1 266.389 -0.365 20 0 CBADMP CC(=O)N1CCC[C@@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246646174 825702317 /nfs/dbraw/zinc/70/23/17/825702317.db2.gz WRXJNKCPZPSAED-ZIAGYGMSSA-N 2 1 266.389 -0.365 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCN[C@]3(CC[NH2+]C3)C1)CS2 ZINC001246646098 825702414 /nfs/dbraw/zinc/70/24/14/825702414.db2.gz WKGWNFWTVMLSBR-RYUDHWBXSA-N 3 1 268.430 -0.529 20 0 CBADMP C1[NH2+]CC12C[C@H](N1CCN[C@]3(CC[NH2+]C3)C1)CS2 ZINC001246646098 825702419 /nfs/dbraw/zinc/70/24/19/825702419.db2.gz WKGWNFWTVMLSBR-RYUDHWBXSA-N 2 1 268.430 -0.529 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246646677 825702559 /nfs/dbraw/zinc/70/25/59/825702559.db2.gz XDABKEGCLFDMTL-ZFWWWQNUSA-N 2 1 296.415 -0.739 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246646667 825702664 /nfs/dbraw/zinc/70/26/64/825702664.db2.gz XDABKEGCLFDMTL-DZGCQCFKSA-N 2 1 296.415 -0.739 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC[C@@]23CC[NH2+]C3)C[NH2+]1 ZINC001246645690 825702829 /nfs/dbraw/zinc/70/28/29/825702829.db2.gz CYYQDRZLZPOHSP-MDZLAQPJSA-N 2 1 253.346 -0.282 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CN1 ZINC001246647232 825702880 /nfs/dbraw/zinc/70/28/80/825702880.db2.gz JDWQOBUEAHEVPA-VOAKCMCISA-N 2 1 267.373 -0.179 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CN1 ZINC001246647232 825702883 /nfs/dbraw/zinc/70/28/83/825702883.db2.gz JDWQOBUEAHEVPA-VOAKCMCISA-N 2 1 267.373 -0.179 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CCC[C@]3(C[NH2+]CCO3)C2)C[NH2+]1 ZINC001246647153 825702933 /nfs/dbraw/zinc/70/29/33/825702933.db2.gz HYMBVQWOOBDJKM-DYEKYZERSA-N 2 1 283.372 -0.656 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@H]3CCC[C@@]3([NH3+])C2)C[NH2+]1 ZINC001246668389 825705472 /nfs/dbraw/zinc/70/54/72/825705472.db2.gz YCHGLTHHEORZCC-MPPDQPJWSA-N 2 1 253.346 -0.297 20 0 CBADMP O=C1NCC[C@]12CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246668825 825705508 /nfs/dbraw/zinc/70/55/08/825705508.db2.gz OPPYHGQGKGOOFB-WCQYABFASA-N 2 1 264.373 -0.708 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)CN1 ZINC001246688572 825705995 /nfs/dbraw/zinc/70/59/95/825705995.db2.gz GCVRIHACLQBOOA-BJDJZHNGSA-N 2 1 285.363 -0.101 20 0 CBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)CN1 ZINC001246688572 825706004 /nfs/dbraw/zinc/70/60/04/825706004.db2.gz GCVRIHACLQBOOA-BJDJZHNGSA-N 2 1 285.363 -0.101 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)C[NH2+]1 ZINC001246688572 825706008 /nfs/dbraw/zinc/70/60/08/825706008.db2.gz GCVRIHACLQBOOA-BJDJZHNGSA-N 2 1 285.363 -0.101 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C1)O4)CCN2 ZINC001246685570 825706846 /nfs/dbraw/zinc/70/68/46/825706846.db2.gz PLPOIWLALLXOEJ-IXYNUQLISA-N 3 1 292.427 -0.467 20 0 CBADMP O=C1NCC[C@@]12CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246703016 825707632 /nfs/dbraw/zinc/70/76/32/825707632.db2.gz HHHMVAKESYIYOM-TZMCWYRMSA-N 2 1 278.400 -0.318 20 0 CBADMP O=C1NCC[C@]12CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246703014 825707644 /nfs/dbraw/zinc/70/76/44/825707644.db2.gz HHHMVAKESYIYOM-OCCSQVGLSA-N 2 1 278.400 -0.318 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CN1 ZINC001246701839 825708156 /nfs/dbraw/zinc/70/81/56/825708156.db2.gz NMVUQWZSKGIRKE-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CN1 ZINC001246701839 825708158 /nfs/dbraw/zinc/70/81/58/825708158.db2.gz NMVUQWZSKGIRKE-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CN1 ZINC001246701839 825708163 /nfs/dbraw/zinc/70/81/63/825708163.db2.gz NMVUQWZSKGIRKE-XQHKEYJVSA-N 2 1 267.373 -0.227 20 0 CBADMP CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2[C@H]1CCC[NH2+]C1 ZINC001246746309 825708917 /nfs/dbraw/zinc/70/89/17/825708917.db2.gz HRCDOKLNADYBQA-AVGNSLFASA-N 2 1 294.399 -0.498 20 0 CBADMP CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2[C@H]1CCC[NH2+]C1 ZINC001246746309 825708921 /nfs/dbraw/zinc/70/89/21/825708921.db2.gz HRCDOKLNADYBQA-AVGNSLFASA-N 2 1 294.399 -0.498 20 0 CBADMP CC[N@@H+]1CCO[C@@H]2CN([C@H]3C[NH2+][C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246749771 825709413 /nfs/dbraw/zinc/70/94/13/825709413.db2.gz DUXIZUYTCFYQMJ-RFQIPJPRSA-N 2 1 297.399 -0.458 20 0 CBADMP CC[N@H+]1CCO[C@@H]2CN([C@H]3C[NH2+][C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246749771 825709417 /nfs/dbraw/zinc/70/94/17/825709417.db2.gz DUXIZUYTCFYQMJ-RFQIPJPRSA-N 2 1 297.399 -0.458 20 0 CBADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246760865 825709460 /nfs/dbraw/zinc/70/94/60/825709460.db2.gz RDLJDKOZBGAJKU-CQSZACIVSA-N 2 1 280.372 -0.839 20 0 CBADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](C1CC[NH2+]CC1)C2 ZINC001246760865 825709464 /nfs/dbraw/zinc/70/94/64/825709464.db2.gz RDLJDKOZBGAJKU-CQSZACIVSA-N 2 1 280.372 -0.839 20 0 CBADMP C1[NH2+]CC12C[C@H](N1CC[N@H+]3CCC[C@@H]3C1)CCN2 ZINC001246776644 825710668 /nfs/dbraw/zinc/71/06/68/825710668.db2.gz LMHTUGAGZHJXIF-CHWSQXEVSA-N 2 1 250.390 -0.140 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCC[C@@H]([NH+](C)C)C2)C[NH2+]1 ZINC001246776441 825710765 /nfs/dbraw/zinc/71/07/65/825710765.db2.gz NGEVKRNGTFIZBA-WOPDTQHZSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246786840 825710877 /nfs/dbraw/zinc/71/08/77/825710877.db2.gz ARMRKOXZYYDGGD-STQMWFEESA-N 2 1 266.389 -0.319 20 0 CBADMP CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246786836 825710960 /nfs/dbraw/zinc/71/09/60/825710960.db2.gz ARMRKOXZYYDGGD-OLZOCXBDSA-N 2 1 266.389 -0.319 20 0 CBADMP CN1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1=O ZINC001246799192 825713120 /nfs/dbraw/zinc/71/31/20/825713120.db2.gz XALVQRBABQQOAX-LLVKDONJSA-N 2 1 252.362 -0.756 20 0 CBADMP CS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246803138 825713439 /nfs/dbraw/zinc/71/34/39/825713439.db2.gz MJIPSLYHAXDDTB-WDEREUQCSA-N 2 1 273.402 -0.801 20 0 CBADMP C[NH2+]C1CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246821937 825716447 /nfs/dbraw/zinc/71/64/47/825716447.db2.gz PIQZNEDTTHZDRP-UHFFFAOYSA-N 3 1 283.464 -0.399 20 0 CBADMP C[N@H+]1CCC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246824541 825718190 /nfs/dbraw/zinc/71/81/90/825718190.db2.gz YUKMPPTXQBEDNN-AWEZNQCLSA-N 3 1 269.437 -0.835 20 0 CBADMP O=C1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]2CCCN12 ZINC001246838585 825719417 /nfs/dbraw/zinc/71/94/17/825719417.db2.gz YMOLTIDMXCKVBM-RYUDHWBXSA-N 2 1 264.373 -0.613 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@@H+]1C[C@H]3C[NH2+]CC[C@@H]3C1)CCN2 ZINC001246842151 825720073 /nfs/dbraw/zinc/72/00/73/825720073.db2.gz BIMBHONEKXFSSB-UPJWGTAASA-N 3 1 250.390 -0.378 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N(C2COC2)C2CC[NH2+]CC2)C[NH2+]1 ZINC001246847150 825720973 /nfs/dbraw/zinc/72/09/73/825720973.db2.gz QATNLBCUORYYSA-AAEUAGOBSA-N 2 1 283.372 -0.657 20 0 CBADMP CCN([C@@H]1C[NH2+][C@@H](C(=O)OC)C1)[C@H]1CCC[NH2+]C1 ZINC001246854615 825722008 /nfs/dbraw/zinc/72/20/08/825722008.db2.gz POKPIDOLNUVYBX-SDDRHHMPSA-N 2 1 255.362 -0.036 20 0 CBADMP CS(=O)(=O)[C@@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246855995 825722629 /nfs/dbraw/zinc/72/26/29/825722629.db2.gz RNZNLFOAHARFPA-NWDGAFQWSA-N 2 1 287.429 -0.411 20 0 CBADMP CCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)[C@H]1CCC[NH2+]C1 ZINC001246854618 825722766 /nfs/dbraw/zinc/72/27/66/825722766.db2.gz POKPIDOLNUVYBX-TUAOUCFPSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C)CC1 ZINC001246858037 825722971 /nfs/dbraw/zinc/72/29/71/825722971.db2.gz ZJSVULDUBPAGQY-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@H]3COC[C@@H](C2)C3[NH3+])C[NH2+]1 ZINC001246858187 825723084 /nfs/dbraw/zinc/72/30/84/825723084.db2.gz DBICNNBKOXBWTO-RMWMVRETSA-N 2 1 297.399 -0.424 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@H](N2C[C@H]3COC[C@@H](C2)C3[NH3+])C[NH2+]1 ZINC001246858185 825723137 /nfs/dbraw/zinc/72/31/37/825723137.db2.gz DBICNNBKOXBWTO-DCEWXOLSSA-N 2 1 297.399 -0.424 20 0 CBADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCOC3(CCOCC3)C1)CCN2 ZINC001246864649 825723918 /nfs/dbraw/zinc/72/39/18/825723918.db2.gz VFTMYIKSXOQPAX-ZDUSSCGKSA-N 2 1 281.400 -0.038 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2CCOC[C@H]2C[NH+](C)C)C[NH2+]1 ZINC001246864231 825724007 /nfs/dbraw/zinc/72/40/07/825724007.db2.gz ROSGCXUKKSTMGO-TUAOUCFPSA-N 2 1 271.361 -0.848 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CCOC3(CCOCC3)C1)CCN2 ZINC001246864648 825724407 /nfs/dbraw/zinc/72/44/07/825724407.db2.gz VFTMYIKSXOQPAX-CYBMUJFWSA-N 2 1 281.400 -0.038 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[NH2+]C3)C[NH2+]1 ZINC001246870621 825725193 /nfs/dbraw/zinc/72/51/93/825725193.db2.gz YTEIXMIIVPXNLR-YFKTTZPYSA-N 2 1 253.346 -0.426 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CCN1 ZINC001246868676 825725941 /nfs/dbraw/zinc/72/59/41/825725941.db2.gz KDLGFCOQZVVYPP-HNCHTBHHSA-N 2 1 253.346 -0.297 20 0 CBADMP CCOC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CCN1 ZINC001246868676 825725944 /nfs/dbraw/zinc/72/59/44/825725944.db2.gz KDLGFCOQZVVYPP-HNCHTBHHSA-N 2 1 253.346 -0.297 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@@H](N2CC[NH2+]C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246867006 825726153 /nfs/dbraw/zinc/72/61/53/825726153.db2.gz MENIBHJVEOPENU-SUNKGSAMSA-N 2 1 299.371 -0.883 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@]3(CC[N@H+](C)C3)C2)C[NH2+]1 ZINC001246868922 825726283 /nfs/dbraw/zinc/72/62/83/825726283.db2.gz PPXOBLBNWZHMSJ-DYEKYZERSA-N 2 1 267.373 -0.083 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@]3(CC[N@@H+](C)C3)C2)C[NH2+]1 ZINC001246868922 825726287 /nfs/dbraw/zinc/72/62/87/825726287.db2.gz PPXOBLBNWZHMSJ-DYEKYZERSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@@H]3C[C@]3([NH3+])C2)C[NH2+]1 ZINC001246875203 825727265 /nfs/dbraw/zinc/72/72/65/825727265.db2.gz XSTZKPMVSVJHDL-XRRVDJEJSA-N 2 1 253.346 -0.297 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246882068 825727325 /nfs/dbraw/zinc/72/73/25/825727325.db2.gz PNXCCAQETBKXPA-USZNOCQGSA-N 2 1 253.346 -0.284 20 0 CBADMP [NH3+]C1CN([C@@H]2CCC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246871653 825727567 /nfs/dbraw/zinc/72/75/67/825727567.db2.gz NNLMJYIIRMGKLO-UONOGXRCSA-N 3 1 279.432 -0.812 20 0 CBADMP CN1CC2(C1)CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246899174 825728431 /nfs/dbraw/zinc/72/84/31/825728431.db2.gz QBIJBGFDXDDZLR-LBPRGKRZSA-N 2 1 250.390 -0.282 20 0 CBADMP CCC[C@H]1CN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246903349 825729147 /nfs/dbraw/zinc/72/91/47/825729147.db2.gz PMHZZMZIXOVCSM-SRVKXCTJSA-N 2 1 255.362 -0.036 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C1C[C@@H]2COC[C@H](C1)[N@@H+]2C ZINC001246902649 825729327 /nfs/dbraw/zinc/72/93/27/825729327.db2.gz FHJJVKCZBLVKKY-XYTAGDGMSA-N 2 1 283.372 -0.577 20 0 CBADMP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001246902649 825729333 /nfs/dbraw/zinc/72/93/33/825729333.db2.gz FHJJVKCZBLVKKY-XYTAGDGMSA-N 2 1 283.372 -0.577 20 0 CBADMP COC(=O)[C@@H]1C[C@@H](N(C)C2(C)CC[NH2+]CC2)C[NH2+]1 ZINC001246912723 825730413 /nfs/dbraw/zinc/73/04/13/825730413.db2.gz VILZKZNAPDYQRW-MNOVXSKESA-N 2 1 255.362 -0.036 20 0 CBADMP C[NH2+]C1CCC([N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246924330 825731430 /nfs/dbraw/zinc/73/14/30/825731430.db2.gz HWIZSLFWSOCDFP-UHFFFAOYSA-N 4 1 299.463 -0.367 20 0 CBADMP C[NH2+]C1CCC(N(CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246924330 825731437 /nfs/dbraw/zinc/73/14/37/825731437.db2.gz HWIZSLFWSOCDFP-UHFFFAOYSA-N 3 1 299.463 -0.367 20 0 CBADMP COC(=O)[C@@H]1C[C@H](N(C)[C@@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246914600 825731729 /nfs/dbraw/zinc/73/17/29/825731729.db2.gz SWFKNUIIXGDPOU-GVXVVHGQSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@@H](N(CCOC)[C@H]2CC[NH2+]C2)C[NH2+]1 ZINC001246930072 825732364 /nfs/dbraw/zinc/73/23/64/825732364.db2.gz SSCPLWDWSQFQSV-GZBFAFLISA-N 2 1 299.415 -0.020 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CSC3(C[NH2+]C3)C2)C[C@@H]1N ZINC001246930016 825732818 /nfs/dbraw/zinc/73/28/18/825732818.db2.gz JPOAQLYPDRJQSD-AEJSXWLSSA-N 2 1 271.386 -0.734 20 0 CBADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CSC3(C[NH2+]C3)C2)C[C@@H]1N ZINC001246930016 825732822 /nfs/dbraw/zinc/73/28/22/825732822.db2.gz JPOAQLYPDRJQSD-AEJSXWLSSA-N 2 1 271.386 -0.734 20 0 CBADMP COC(=O)[C@@H]1CN([C@@H]2CCC[N@@H+](C)CC2)C[C@@H]1[NH3+] ZINC001246928886 825733169 /nfs/dbraw/zinc/73/31/69/825733169.db2.gz BFSSARMLGSAPFT-UTUOFQBUSA-N 2 1 255.362 -0.097 20 0 CBADMP COC(=O)[C@@H]1CN([C@@H]2CCC[N@@H+](C)CC2)C[C@H]1[NH3+] ZINC001246928880 825733246 /nfs/dbraw/zinc/73/32/46/825733246.db2.gz BFSSARMLGSAPFT-IJLUTSLNSA-N 2 1 255.362 -0.097 20 0 CBADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)C[NH2+]1 ZINC001246932708 825733627 /nfs/dbraw/zinc/73/36/27/825733627.db2.gz HCZZKQLQWYSLCA-AYGWYOGXSA-N 2 1 299.371 -0.898 20 0 CBADMP CCN(C[C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246935360 825733957 /nfs/dbraw/zinc/73/39/57/825733957.db2.gz HHQKXDPLIPSQGY-WOPDTQHZSA-N 2 1 255.362 -0.179 20 0 CBADMP C[NH2+]C1CCC([N@@H+]2C[C@@H](C(=O)OC)[C@H](N)C2)CC1 ZINC001246935881 825734536 /nfs/dbraw/zinc/73/45/36/825734536.db2.gz ZHMQFUIRSRPODF-KIDURHIOSA-N 2 1 255.362 -0.051 20 0 CBADMP C[NH2+]C1CCC(N2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)CC1 ZINC001246935881 825734539 /nfs/dbraw/zinc/73/45/39/825734539.db2.gz ZHMQFUIRSRPODF-KIDURHIOSA-N 2 1 255.362 -0.051 20 0 CBADMP CC[C@@]1(C(=O)OC)C[C@@H](N(C)[C@H]2C[NH2+]C[C@@H]2OC)C[NH2+]1 ZINC001246987404 825739641 /nfs/dbraw/zinc/73/96/41/825739641.db2.gz GSDKJWPMBOWCTM-UHXUPSOCSA-N 2 1 285.388 -0.411 20 0 CBADMP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@@]3(C1)CNCCO3)CCN2 ZINC001246990648 825739440 /nfs/dbraw/zinc/73/94/40/825739440.db2.gz XAYUKFGOTBRJQB-OCCSQVGLSA-N 2 1 266.389 -0.855 20 0 CBADMP COC(=O)[C@@]1(C)CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001247001852 825740419 /nfs/dbraw/zinc/74/04/19/825740419.db2.gz MBBOISBJLAMGQG-AAEUAGOBSA-N 2 1 267.373 -0.035 20 0 CBADMP COC(=O)[C@@]1(C)CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001247001859 825743153 /nfs/dbraw/zinc/74/31/53/825743153.db2.gz MBBOISBJLAMGQG-YPMHNXCESA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(CC[NH2+]C[C@H](O)C(F)(F)F)NCCc1cnc[nH]1 ZINC001250995708 825755203 /nfs/dbraw/zinc/75/52/03/825755203.db2.gz XQCPXTGZYRTXQC-VIFPVBQESA-N 2 1 294.277 -0.029 20 0 CBADMP CC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001251782818 825788787 /nfs/dbraw/zinc/78/87/87/825788787.db2.gz VLSOCWBQVDOHCB-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001251782818 825788793 /nfs/dbraw/zinc/78/87/93/825788793.db2.gz VLSOCWBQVDOHCB-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP CCOC[C@@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001252043421 825814667 /nfs/dbraw/zinc/81/46/67/825814667.db2.gz FQBNIUWDUWZSKZ-ZDUSSCGKSA-N 2 1 259.394 -0.389 20 0 CBADMP OC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001252068360 825827800 /nfs/dbraw/zinc/82/78/00/825827800.db2.gz IFKRTZZLRZUOOU-HNNXBMFYSA-N 2 1 280.368 -0.038 20 0 CBADMP CC(C)OC[C@H](O)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001252676860 825881922 /nfs/dbraw/zinc/88/19/22/825881922.db2.gz ZBHUTARPGVGYNX-CQSZACIVSA-N 2 1 273.421 -0.049 20 0 CBADMP CC(C)OC[C@@H](O)C[NH2+]CCC(=O)NCCc1cnc[nH]1 ZINC001252694396 825884996 /nfs/dbraw/zinc/88/49/96/825884996.db2.gz BSUQLWHIHGIGFQ-ZDUSSCGKSA-N 2 1 298.387 -0.166 20 0 CBADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001253188197 825902182 /nfs/dbraw/zinc/90/21/82/825902182.db2.gz RYUVYOBJWLNXIK-YNEHKIRRSA-N 2 1 269.389 -0.243 20 0 CBADMP CC[NH+](CC)C[C@H](O)CNCC[N@H+]1CCC[C@@H](O)C1 ZINC001253209681 825905023 /nfs/dbraw/zinc/90/50/23/825905023.db2.gz GYMVVTFFSLJUET-ZIAGYGMSSA-N 2 1 273.421 -0.265 20 0 CBADMP CC[NH+](CC)C[C@H](O)CNCCN1CCC[N@@H+](C)CC1 ZINC001253207382 825905172 /nfs/dbraw/zinc/90/51/72/825905172.db2.gz GAKDUKJAUWGMLB-OAHLLOKOSA-N 2 1 286.464 -0.084 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[NH2+]CCN1C(=O)C=CC1=O ZINC001253206056 825905415 /nfs/dbraw/zinc/90/54/15/825905415.db2.gz KGGMKDPAWNMUOS-LLVKDONJSA-N 2 1 269.345 -0.796 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[NH2+]CCOCCOCCOC ZINC001253206059 825905504 /nfs/dbraw/zinc/90/55/04/825905504.db2.gz KGGWZBAGPOIACB-CQSZACIVSA-N 2 1 292.420 -0.042 20 0 CBADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC001253210838 825907052 /nfs/dbraw/zinc/90/70/52/825907052.db2.gz PDNVBJYVVOOMIG-CHWSQXEVSA-N 2 1 257.378 -0.101 20 0 CBADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](CO)Cc1c[nH]cn1 ZINC001253406366 825914141 /nfs/dbraw/zinc/91/41/41/825914141.db2.gz IHPSJZXLOXIETC-NEPJUHHUSA-N 2 1 270.377 -0.348 20 0 CBADMP CC(=O)N1CCC([NH2+]CCC[NH+](CCO)CCO)CC1 ZINC001254414014 825961036 /nfs/dbraw/zinc/96/10/36/825961036.db2.gz MZHOATXORKWBRN-UHFFFAOYSA-N 2 1 287.404 -0.736 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254511242 825966030 /nfs/dbraw/zinc/96/60/30/825966030.db2.gz XKTIEBBPKBJFOA-WDEREUQCSA-N 2 1 271.361 -0.262 20 0 CBADMP COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254511242 825966033 /nfs/dbraw/zinc/96/60/33/825966033.db2.gz XKTIEBBPKBJFOA-WDEREUQCSA-N 2 1 271.361 -0.262 20 0 CBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCSC1 ZINC001255269299 825978780 /nfs/dbraw/zinc/97/87/80/825978780.db2.gz BXIZGURWNOFHOW-BDAKNGLRSA-N 2 1 274.390 -0.114 20 0 CBADMP C[NH+](C)CCN1CCN([C@H]2CC[N@@H+](C)C2)CCC1=O ZINC001255439364 825983220 /nfs/dbraw/zinc/98/32/20/825983220.db2.gz SZJSYLYPSJXLOS-ZDUSSCGKSA-N 2 1 268.405 -0.214 20 0 CBADMP CC[NH+](CC)CC[C@@H](C)[NH2+]CC(=O)NCC(=O)OC ZINC001255948800 825996202 /nfs/dbraw/zinc/99/62/02/825996202.db2.gz PTLIJCKZHWSRFE-LLVKDONJSA-N 2 1 273.377 -0.014 20 0 CBADMP O=C1C[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C(=O)N1 ZINC001256070071 826001138 /nfs/dbraw/zinc/00/11/38/826001138.db2.gz WHLSORXMAKFSLN-SECBINFHSA-N 2 1 251.330 -0.135 20 0 CBADMP C[NH+]1CCC([NH2+]CC2(C(N)=O)CCOCC2)CC1 ZINC001256195069 826003199 /nfs/dbraw/zinc/00/31/99/826003199.db2.gz XXEQBYAFTABGPT-UHFFFAOYSA-N 2 1 255.362 -0.048 20 0 CBADMP C[NH+]1CCC(NCCN(CC[NH3+])N(O)N=O)CC1 ZINC001256198616 826003287 /nfs/dbraw/zinc/00/32/87/826003287.db2.gz PULOWBTYLRFFGQ-UHFFFAOYSA-N 2 1 260.342 -0.782 20 0 CBADMP C[NH+]1CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001256198616 826003291 /nfs/dbraw/zinc/00/32/91/826003291.db2.gz PULOWBTYLRFFGQ-UHFFFAOYSA-N 3 1 260.342 -0.782 20 0 CBADMP C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCC[N@@H+](C)CCO ZINC001256333112 826013779 /nfs/dbraw/zinc/01/37/79/826013779.db2.gz ALYBUQVATYRGMN-ZDUSSCGKSA-N 2 1 287.404 -0.472 20 0 CBADMP CCOC(=O)CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256615203 826028360 /nfs/dbraw/zinc/02/83/60/826028360.db2.gz YSPACQAZQMWWQQ-YOGCLGLASA-N 2 1 283.372 -0.120 20 0 CBADMP CCOC(=O)CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256615203 826028361 /nfs/dbraw/zinc/02/83/61/826028361.db2.gz YSPACQAZQMWWQQ-YOGCLGLASA-N 2 1 283.372 -0.120 20 0 CBADMP [NH3+][C@@H]1NCN([C@@H]2CCC[N@@H+](C3CCCC3)C2)[C@@H]2NCN[C@@H]21 ZINC001256908501 826034935 /nfs/dbraw/zinc/03/49/35/826034935.db2.gz LUPBHRCTNGOCOD-TUVASFSCSA-N 2 1 294.447 -0.614 20 0 CBADMP [NH3+][C@@H]1NCN([C@@H]2CCC[N@H+](C3CCCC3)C2)[C@@H]2NCN[C@@H]21 ZINC001256908501 826034941 /nfs/dbraw/zinc/03/49/41/826034941.db2.gz LUPBHRCTNGOCOD-TUVASFSCSA-N 2 1 294.447 -0.614 20 0 CBADMP CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001257192296 826038912 /nfs/dbraw/zinc/03/89/12/826038912.db2.gz BZUVPKNZZPAOFC-LBPRGKRZSA-N 2 1 282.388 -0.641 20 0 CBADMP CC(C)C[NH+]1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001258009013 826055141 /nfs/dbraw/zinc/05/51/41/826055141.db2.gz NPFQUAUFSQRNSA-HZSPNIEDSA-N 2 1 282.436 -0.901 20 0 CBADMP CC(C)C[NH+]1CCC([NH2+]C(CO)(CO)CO)CC1 ZINC001258002887 826055686 /nfs/dbraw/zinc/05/56/86/826055686.db2.gz LXAMQRBZJOUSKO-UHFFFAOYSA-N 2 1 260.378 -0.588 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)NCC[N@@H+](C)CCOC ZINC001261376639 826508158 /nfs/dbraw/zinc/50/81/58/826508158.db2.gz UVRYHDRDPJXNGL-LLVKDONJSA-N 2 1 260.382 -0.138 20 0 CBADMP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001261493121 826524393 /nfs/dbraw/zinc/52/43/93/826524393.db2.gz KXHFEHWRCCSHQC-UWVGGRQHSA-N 2 1 251.334 -0.512 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC001261501679 826527396 /nfs/dbraw/zinc/52/73/96/826527396.db2.gz JRLFHPJZVRWYRL-ZDUSSCGKSA-N 2 1 268.405 -0.179 20 0 CBADMP Cn1cnc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC001261566321 826541367 /nfs/dbraw/zinc/54/13/67/826541367.db2.gz AHIWMQHDFYKFAQ-UHFFFAOYSA-N 2 1 281.364 -0.849 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001261634101 826549167 /nfs/dbraw/zinc/54/91/67/826549167.db2.gz YIWXMPFWFPJWAB-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(O)(C[NH3+])CC2)C1 ZINC001262008711 826618014 /nfs/dbraw/zinc/61/80/14/826618014.db2.gz VYIINTPWWBORRO-LLVKDONJSA-N 2 1 255.362 -0.360 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC001262067148 826630181 /nfs/dbraw/zinc/63/01/81/826630181.db2.gz UDIMYTVRVJJSDJ-FIQHERPVSA-N 2 1 294.399 -0.419 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001262068804 826631083 /nfs/dbraw/zinc/63/10/83/826631083.db2.gz LPIQZDWOOPLOOG-XQQFMLRXSA-N 2 1 296.415 -0.489 20 0 CBADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001262195142 826657206 /nfs/dbraw/zinc/65/72/06/826657206.db2.gz PMSGMVGRYRZDNF-ZDUSSCGKSA-N 2 1 267.373 -0.081 20 0 CBADMP C([C@@H]1CC2(C[NH2+]C2)CO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001262195396 826657340 /nfs/dbraw/zinc/65/73/40/826657340.db2.gz ZFFXGEXMOJFHOG-KBPBESRZSA-N 2 1 280.416 -0.656 20 0 CBADMP CN1CC[C@@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001262499476 826695800 /nfs/dbraw/zinc/69/58/00/826695800.db2.gz LXTCQOMLDJKTKG-OLZOCXBDSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001262499476 826695803 /nfs/dbraw/zinc/69/58/03/826695803.db2.gz LXTCQOMLDJKTKG-OLZOCXBDSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001262499476 826695807 /nfs/dbraw/zinc/69/58/07/826695807.db2.gz LXTCQOMLDJKTKG-OLZOCXBDSA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001262499476 826695810 /nfs/dbraw/zinc/69/58/10/826695810.db2.gz LXTCQOMLDJKTKG-OLZOCXBDSA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001262499476 826695813 /nfs/dbraw/zinc/69/58/13/826695813.db2.gz LXTCQOMLDJKTKG-OLZOCXBDSA-N 2 1 294.399 -0.497 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001262554280 826709219 /nfs/dbraw/zinc/70/92/19/826709219.db2.gz ZEKUDROPRBUTOO-NXEZZACHSA-N 2 1 265.361 -0.040 20 0 CBADMP Cn1c[nH+]cc1CC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC001262564404 826710330 /nfs/dbraw/zinc/71/03/30/826710330.db2.gz HYRBWCMZALZXPH-OLZOCXBDSA-N 2 1 269.345 -0.545 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001263061808 826731421 /nfs/dbraw/zinc/73/14/21/826731421.db2.gz BZPJKAQGEGNZNL-IJLUTSLNSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH2+]C[C@@H]1C ZINC001263061810 826731678 /nfs/dbraw/zinc/73/16/78/826731678.db2.gz BZPJKAQGEGNZNL-TUAOUCFPSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC[C@H]1[NH3+] ZINC001263063468 826731731 /nfs/dbraw/zinc/73/17/31/826731731.db2.gz VYYOTDNMXJKYCE-LPWJVIDDSA-N 2 1 266.389 -0.430 20 0 CBADMP CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001263062198 826732290 /nfs/dbraw/zinc/73/22/90/826732290.db2.gz NLOZMBNMQWRVPF-NEPJUHHUSA-N 2 1 254.378 -0.510 20 0 CBADMP C[NH2+]C1(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CCC1 ZINC001263100501 826736241 /nfs/dbraw/zinc/73/62/41/826736241.db2.gz PSRWNXSWLFSZRI-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)c2ccn(CCC[NH3+])n2)C1 ZINC001263096571 826736712 /nfs/dbraw/zinc/73/67/12/826736712.db2.gz VWEHZGBSWRZXRJ-LLVKDONJSA-N 2 1 265.361 -0.087 20 0 CBADMP [NH3+][C@H](CNC(=O)C[NH+]1CCC(CO)CC1)C1CC1 ZINC001263104648 826738285 /nfs/dbraw/zinc/73/82/85/826738285.db2.gz ORDAJBUVCOMQCY-GFCCVEGCSA-N 2 1 255.362 -0.456 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001263103252 826738379 /nfs/dbraw/zinc/73/83/79/826738379.db2.gz UELMWRLHENTIAG-HIFRSBDPSA-N 2 1 298.431 -0.757 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001263107631 826739533 /nfs/dbraw/zinc/73/95/33/826739533.db2.gz ATLXJFPVCJWNTB-GMTAPVOTSA-N 2 1 263.345 -0.512 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[C@H](O)C[NH2+]C)C1 ZINC001263160960 826746147 /nfs/dbraw/zinc/74/61/47/826746147.db2.gz SDPIWAMVIULLSX-SDDRHHMPSA-N 2 1 257.378 -0.197 20 0 CBADMP C[C@H]1Cn2nc(C(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2C[NH2+]1 ZINC001263175194 826749195 /nfs/dbraw/zinc/74/91/95/826749195.db2.gz VYFUPOCMGSSIIV-GUBZILKMSA-N 2 1 263.345 -0.158 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1(C)C ZINC001263181712 826750228 /nfs/dbraw/zinc/75/02/28/826750228.db2.gz UGFFDKPRFQONGU-LBPRGKRZSA-N 2 1 296.415 -0.264 20 0 CBADMP COCCOCCC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001263191943 826753212 /nfs/dbraw/zinc/75/32/12/826753212.db2.gz HRJMLKOCUZNLCP-UHFFFAOYSA-N 2 1 273.377 -0.421 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H](CC[NH3+])C1)N1CC[NH+](C)CC1 ZINC001263212734 826753613 /nfs/dbraw/zinc/75/36/13/826753613.db2.gz BAIICDMHNYDTNI-CHWSQXEVSA-N 2 1 268.405 -0.180 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)NCCCCC[NH+]1CCNCC1 ZINC001263207981 826754149 /nfs/dbraw/zinc/75/41/49/826754149.db2.gz XJFFJKLKYMHFCI-AWEZNQCLSA-N 2 1 298.431 -0.443 20 0 CBADMP C[C@H]1CN2CCN1C[C@@H]2C(=O)NCc1cncn1C ZINC001263858091 826786346 /nfs/dbraw/zinc/78/63/46/826786346.db2.gz VXJQUJMKHFSKJW-CMPLNLGQSA-N 2 1 263.345 -0.575 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001263879589 826787359 /nfs/dbraw/zinc/78/73/59/826787359.db2.gz NYCHEXHTNREDLD-CYBMUJFWSA-N 2 1 257.378 -0.148 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCO)C2)C1 ZINC001264417045 826810307 /nfs/dbraw/zinc/81/03/07/826810307.db2.gz LYIUUYQSORWKCS-AVGNSLFASA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCO)C2)C1 ZINC001264417045 826810318 /nfs/dbraw/zinc/81/03/18/826810318.db2.gz LYIUUYQSORWKCS-AVGNSLFASA-N 2 1 285.388 -0.816 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001265068217 826843194 /nfs/dbraw/zinc/84/31/94/826843194.db2.gz BBWBXIMIHWIVKP-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001265068217 826843209 /nfs/dbraw/zinc/84/32/09/826843209.db2.gz BBWBXIMIHWIVKP-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001265068217 826843217 /nfs/dbraw/zinc/84/32/17/826843217.db2.gz BBWBXIMIHWIVKP-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP CC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)[C@H](C)C(N)=O ZINC001265145870 826852109 /nfs/dbraw/zinc/85/21/09/826852109.db2.gz CZHWOJXFPXVLGX-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001265276244 826872470 /nfs/dbraw/zinc/87/24/70/826872470.db2.gz AXVHNZBZGNJADM-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001265276244 826872478 /nfs/dbraw/zinc/87/24/78/826872478.db2.gz AXVHNZBZGNJADM-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265276244 826872490 /nfs/dbraw/zinc/87/24/90/826872490.db2.gz AXVHNZBZGNJADM-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265276244 826872500 /nfs/dbraw/zinc/87/25/00/826872500.db2.gz AXVHNZBZGNJADM-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001265481604 826898900 /nfs/dbraw/zinc/89/89/00/826898900.db2.gz PFUWTKZEMHWECQ-MGCOHNPYSA-N 2 1 268.361 -0.807 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCOCCO)C2)C1 ZINC001265502920 826899591 /nfs/dbraw/zinc/89/95/91/826899591.db2.gz CPFAUTCBLBUZTK-IHRRRGAJSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001265490873 826899687 /nfs/dbraw/zinc/89/96/87/826899687.db2.gz LFFCTFLANZJADT-IHRRRGAJSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[C@H](C(=O)NCCC[N@@H+](C)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001265954970 826941756 /nfs/dbraw/zinc/94/17/56/826941756.db2.gz YYJAYYJVBGWEMP-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCO)C1)[NH+](C)C ZINC001266246711 826964459 /nfs/dbraw/zinc/96/44/59/826964459.db2.gz VLNDGVIWABDKOK-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266275168 826968921 /nfs/dbraw/zinc/96/89/21/826968921.db2.gz PIFMHBHKZLBOEH-DGCLKSJQSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266326679 826983042 /nfs/dbraw/zinc/98/30/42/826983042.db2.gz HGJURABSTFNHMI-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001266326679 826983049 /nfs/dbraw/zinc/98/30/49/826983049.db2.gz HGJURABSTFNHMI-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H](O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001266326679 826983057 /nfs/dbraw/zinc/98/30/57/826983057.db2.gz HGJURABSTFNHMI-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533393 827018277 /nfs/dbraw/zinc/01/82/77/827018277.db2.gz IXBZURNYFLLJNC-RYUDHWBXSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@H](O)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001266584777 827026523 /nfs/dbraw/zinc/02/65/23/827026523.db2.gz MEOLTWDPJOKXME-XUXIUFHCSA-N 2 1 299.415 -0.285 20 0 CBADMP C[C@H](O)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001266584777 827026527 /nfs/dbraw/zinc/02/65/27/827026527.db2.gz MEOLTWDPJOKXME-XUXIUFHCSA-N 2 1 299.415 -0.285 20 0 CBADMP CN(CC[NH2+]CCn1cncn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001266660444 827042508 /nfs/dbraw/zinc/04/25/08/827042508.db2.gz OQKNUQAMKKIQCN-LBPRGKRZSA-N 2 1 280.376 -0.580 20 0 CBADMP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266815530 827069886 /nfs/dbraw/zinc/06/98/86/827069886.db2.gz WGWFBAJJURCAMZ-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP 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 827079129 /nfs/dbraw/zinc/07/91/29/827079129.db2.gz UJVNNDZSASAFGX-LBELIVKGSA-N 2 1 269.389 -0.246 20 0 CBADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CCCO ZINC001266984508 827102966 /nfs/dbraw/zinc/10/29/66/827102966.db2.gz BYFJRXJGIJRNTL-NWDGAFQWSA-N 2 1 257.378 -0.195 20 0 CBADMP COC[C@@H](O)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266989299 827103714 /nfs/dbraw/zinc/10/37/14/827103714.db2.gz WITHYJUZUTYHBM-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCCO ZINC001267159504 827120172 /nfs/dbraw/zinc/12/01/72/827120172.db2.gz ZBYGTMGXAQCISK-VXGBXAGGSA-N 2 1 257.378 -0.195 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@H](C)O ZINC001267238984 827135716 /nfs/dbraw/zinc/13/57/16/827135716.db2.gz WLNWCSHTDVEJHG-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C[C@H](C)O ZINC001267238984 827135720 /nfs/dbraw/zinc/13/57/20/827135720.db2.gz WLNWCSHTDVEJHG-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C[C@H](C)O ZINC001267238984 827135725 /nfs/dbraw/zinc/13/57/25/827135725.db2.gz WLNWCSHTDVEJHG-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001267275210 827142160 /nfs/dbraw/zinc/14/21/60/827142160.db2.gz UZCPANLFJXKKBB-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001267355725 827156582 /nfs/dbraw/zinc/15/65/82/827156582.db2.gz ZCLUQMMPYBMXHH-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+]CC(=O)N1CCC1 ZINC001267403129 827166271 /nfs/dbraw/zinc/16/62/71/827166271.db2.gz VQNCCDDZUHNGJZ-UHFFFAOYSA-N 2 1 293.371 -0.528 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N(C)CC[NH2+]CC(N)=O ZINC001267440241 827171476 /nfs/dbraw/zinc/17/14/76/827171476.db2.gz MNYLQMLXCQURTN-UHFFFAOYSA-N 2 1 281.360 -0.495 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cnn(C)n1 ZINC001267458244 827173645 /nfs/dbraw/zinc/17/36/45/827173645.db2.gz DDJCMBKECHQFLA-UHFFFAOYSA-N 2 1 282.392 -0.295 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1cnn(C)n1 ZINC001267458244 827173646 /nfs/dbraw/zinc/17/36/46/827173646.db2.gz DDJCMBKECHQFLA-UHFFFAOYSA-N 2 1 282.392 -0.295 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267455966 827174319 /nfs/dbraw/zinc/17/43/19/827174319.db2.gz INLBOBUBFRSITL-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+]CC(=O)N1CCC1 ZINC001267458549 827174365 /nfs/dbraw/zinc/17/43/65/827174365.db2.gz GJGVOHLHKFNCFA-UHFFFAOYSA-N 2 1 284.404 -0.392 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1C[NH+](CCCO)C1 ZINC001267696562 827200814 /nfs/dbraw/zinc/20/08/14/827200814.db2.gz VFFMFZAMJQZXRU-UHFFFAOYSA-N 2 1 257.378 -0.241 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]CCF ZINC001267983803 827237787 /nfs/dbraw/zinc/23/77/87/827237787.db2.gz LMANASMFDGCXNS-WDEREUQCSA-N 2 1 261.341 -0.372 20 0 CBADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]CCF ZINC001267983803 827237795 /nfs/dbraw/zinc/23/77/95/827237795.db2.gz LMANASMFDGCXNS-WDEREUQCSA-N 2 1 261.341 -0.372 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001267995405 827238854 /nfs/dbraw/zinc/23/88/54/827238854.db2.gz JDLHILKCMPXOCL-VIFPVBQESA-N 2 1 267.333 -0.981 20 0 CBADMP COCCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001268298275 827282513 /nfs/dbraw/zinc/28/25/13/827282513.db2.gz MONHWNZAHUSMTK-NEPJUHHUSA-N 2 1 273.377 -0.816 20 0 CBADMP CCC[NH2+]C[C@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268321247 827297918 /nfs/dbraw/zinc/29/79/18/827297918.db2.gz LYHCWKHVKSAGTA-RYUDHWBXSA-N 2 1 257.378 -0.195 20 0 CBADMP CCC[NH2+]C[C@@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268321249 827297960 /nfs/dbraw/zinc/29/79/60/827297960.db2.gz LYHCWKHVKSAGTA-VXGBXAGGSA-N 2 1 257.378 -0.195 20 0 CBADMP COCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268319719 827298010 /nfs/dbraw/zinc/29/80/10/827298010.db2.gz LFQAAAKXYCZZLY-RYUDHWBXSA-N 2 1 273.377 -0.816 20 0 CBADMP CC(C)[NH2+]C[C@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268322152 827300021 /nfs/dbraw/zinc/30/00/21/827300021.db2.gz PNKZRUFXISQBOH-RYUDHWBXSA-N 2 1 257.378 -0.197 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC=C(C)C)C1 ZINC001268335064 827307273 /nfs/dbraw/zinc/30/72/73/827307273.db2.gz OKRLDTAAXZOOFD-KGLIPLIRSA-N 2 1 299.415 -0.260 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC=C(C)C)C1 ZINC001268335064 827307281 /nfs/dbraw/zinc/30/72/81/827307281.db2.gz OKRLDTAAXZOOFD-KGLIPLIRSA-N 2 1 299.415 -0.260 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CCOC2CCC2)C1 ZINC001268336528 827309080 /nfs/dbraw/zinc/30/90/80/827309080.db2.gz UOWSGZUGWPTKID-STQMWFEESA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@H](CC[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001268349375 827312757 /nfs/dbraw/zinc/31/27/57/827312757.db2.gz JRDNQKAHNVUYKU-YPMHNXCESA-N 2 1 294.403 -0.106 20 0 CBADMP CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268422355 827324735 /nfs/dbraw/zinc/32/47/35/827324735.db2.gz AMAOZEWVSBPTPJ-NWDGAFQWSA-N 2 1 284.404 -0.441 20 0 CBADMP CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268442312 827330035 /nfs/dbraw/zinc/33/00/35/827330035.db2.gz BGVTZDNOPHXDAK-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268442312 827330043 /nfs/dbraw/zinc/33/00/43/827330043.db2.gz BGVTZDNOPHXDAK-NWDGAFQWSA-N 2 1 273.377 -0.864 20 0 CBADMP CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268555249 827363548 /nfs/dbraw/zinc/36/35/48/827363548.db2.gz ICJLMZAINSDQTJ-GFUIURDCSA-N 2 1 296.415 -0.131 20 0 CBADMP CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001268555253 827363716 /nfs/dbraw/zinc/36/37/16/827363716.db2.gz ICJLMZAINSDQTJ-URWSZGRFSA-N 2 1 296.415 -0.131 20 0 CBADMP CNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001268557075 827364756 /nfs/dbraw/zinc/36/47/56/827364756.db2.gz SMSQJGCQNTVEHE-QMAVJUDZSA-N 2 1 282.388 -0.521 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001268559881 827364969 /nfs/dbraw/zinc/36/49/69/827364969.db2.gz IMAMSQWGGACUCU-ITDFMYJTSA-N 2 1 296.415 -0.146 20 0 CBADMP COC[C@@H](O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001268557392 827365193 /nfs/dbraw/zinc/36/51/93/827365193.db2.gz VCVCZTRGPGDRPB-OOPLNXAUSA-N 2 1 299.415 -0.260 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC/C=C/C[NH2+]CCO ZINC001268567407 827366326 /nfs/dbraw/zinc/36/63/26/827366326.db2.gz IRDXUYGCPSGEBF-NSCUHMNNSA-N 2 1 252.318 -0.554 20 0 CBADMP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001268572568 827367863 /nfs/dbraw/zinc/36/78/63/827367863.db2.gz BPUOUVINAMTKPB-FBVTZJDUSA-N 2 1 296.415 -0.181 20 0 CBADMP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001268584265 827371504 /nfs/dbraw/zinc/37/15/04/827371504.db2.gz XXVPNBFHXFDAEZ-VTYAVTIVSA-N 2 1 296.415 -0.148 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001268597390 827375559 /nfs/dbraw/zinc/37/55/59/827375559.db2.gz RYTAPXNGGFPLLW-MUBLQREKSA-N 2 1 296.415 -0.003 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]CCF)C1 ZINC001268717056 827410934 /nfs/dbraw/zinc/41/09/34/827410934.db2.gz PODUBFZVQDXYCQ-WDEREUQCSA-N 2 1 261.341 -0.229 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]CCF)C1 ZINC001268717056 827410938 /nfs/dbraw/zinc/41/09/38/827410938.db2.gz PODUBFZVQDXYCQ-WDEREUQCSA-N 2 1 261.341 -0.229 20 0 CBADMP CN(CCC[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001268784012 827421786 /nfs/dbraw/zinc/42/17/86/827421786.db2.gz PCBSDOOBMIXKTK-CYBMUJFWSA-N 2 1 294.403 -0.153 20 0 CBADMP CCN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001268811284 827424892 /nfs/dbraw/zinc/42/48/92/827424892.db2.gz MYOJLODNOZLXRQ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268847231 827430342 /nfs/dbraw/zinc/43/03/42/827430342.db2.gz FZWGCLAGFOEJNE-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H]([NH2+]CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001268916165 827438930 /nfs/dbraw/zinc/43/89/30/827438930.db2.gz ZRRKYFYADBHHAZ-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH+]1CC2(C1)CCN(C(=O)CN1CC[NH+](C)CC1)CC2 ZINC001270702864 827589489 /nfs/dbraw/zinc/58/94/89/827589489.db2.gz XZRKPPKOLMDVNZ-UHFFFAOYSA-N 2 1 280.416 -0.212 20 0 CBADMP C[NH+](C)CCN1CCC12CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001270979832 827612031 /nfs/dbraw/zinc/61/20/31/827612031.db2.gz KGJYHYMHSUCVIW-ZDUSSCGKSA-N 2 1 296.415 -0.835 20 0 CBADMP C[NH+](C)CCN1CCC12CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001270979832 827612039 /nfs/dbraw/zinc/61/20/39/827612039.db2.gz KGJYHYMHSUCVIW-ZDUSSCGKSA-N 2 1 296.415 -0.835 20 0 CBADMP C[NH+](C)CCN1CCC12CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001270979831 827612433 /nfs/dbraw/zinc/61/24/33/827612433.db2.gz KGJYHYMHSUCVIW-CYBMUJFWSA-N 2 1 296.415 -0.835 20 0 CBADMP C[NH+](C)CCN1CCC12CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001270979831 827612439 /nfs/dbraw/zinc/61/24/39/827612439.db2.gz KGJYHYMHSUCVIW-CYBMUJFWSA-N 2 1 296.415 -0.835 20 0 CBADMP CC[N@@H+](C)CC(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001271083672 827620338 /nfs/dbraw/zinc/62/03/38/827620338.db2.gz FSUQHUNEQJJVBY-KBPBESRZSA-N 2 1 298.431 -0.589 20 0 CBADMP C[NH+](C)CCN1CCC12CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001271223195 827678224 /nfs/dbraw/zinc/67/82/24/827678224.db2.gz OGKYXMBHJRBZRJ-ZDUSSCGKSA-N 2 1 280.416 -0.214 20 0 CBADMP CCOCCN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271388275 827697547 /nfs/dbraw/zinc/69/75/47/827697547.db2.gz UVFLPZRHCBBUTE-GFCCVEGCSA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC(N)=O ZINC001271493710 827705536 /nfs/dbraw/zinc/70/55/36/827705536.db2.gz CXLBCRJCNKREBG-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC(N)=O)C1 ZINC001271610342 827714683 /nfs/dbraw/zinc/71/46/83/827714683.db2.gz VYZPCMMUAXWDJA-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC(N)=O)C1 ZINC001271610345 827714762 /nfs/dbraw/zinc/71/47/62/827714762.db2.gz VYZPCMMUAXWDJA-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@H+]1C ZINC001272196840 827769347 /nfs/dbraw/zinc/76/93/47/827769347.db2.gz PUBBFGMUASDPSO-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]C[C@H]1CCOC1 ZINC001272224222 827770560 /nfs/dbraw/zinc/77/05/60/827770560.db2.gz BCPDVAXUSWHRQP-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC2(CC[N@H+](C)C2)CC1 ZINC001272273439 827775610 /nfs/dbraw/zinc/77/56/10/827775610.db2.gz LABBZTPAKCEBOM-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)CC2 ZINC001272273439 827775615 /nfs/dbraw/zinc/77/56/15/827775615.db2.gz LABBZTPAKCEBOM-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)CC2 ZINC001272273439 827775622 /nfs/dbraw/zinc/77/56/22/827775622.db2.gz LABBZTPAKCEBOM-STQMWFEESA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001272272908 827776490 /nfs/dbraw/zinc/77/64/90/827776490.db2.gz DUVPORUKDXTJFS-YDHLFZDLSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001272272908 827776495 /nfs/dbraw/zinc/77/64/95/827776495.db2.gz DUVPORUKDXTJFS-YDHLFZDLSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001272272908 827776503 /nfs/dbraw/zinc/77/65/03/827776503.db2.gz DUVPORUKDXTJFS-YDHLFZDLSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001272272908 827776508 /nfs/dbraw/zinc/77/65/08/827776508.db2.gz DUVPORUKDXTJFS-YDHLFZDLSA-N 2 1 281.400 -0.004 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCOC1CCC1 ZINC001272381905 827790211 /nfs/dbraw/zinc/79/02/11/827790211.db2.gz XZVOEIJTOQZWEJ-OCCSQVGLSA-N 2 1 299.415 -0.284 20 0 CBADMP CCC[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001272435071 827797591 /nfs/dbraw/zinc/79/75/91/827797591.db2.gz OMQCNIGVWQHPEM-GFCCVEGCSA-N 2 1 257.378 -0.053 20 0 CBADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001272555735 827820840 /nfs/dbraw/zinc/82/08/40/827820840.db2.gz RKKFBSGOXJTTQS-WTUNAVPPSA-N 2 1 280.416 -0.026 20 0 CBADMP CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001273122993 827867252 /nfs/dbraw/zinc/86/72/52/827867252.db2.gz LVDWGSIJGJGUFS-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273175968 827871563 /nfs/dbraw/zinc/87/15/63/827871563.db2.gz NLJXVRCDOCCIJG-GHMZBOCLSA-N 2 1 270.377 -0.832 20 0 CBADMP CCN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001273298127 827887795 /nfs/dbraw/zinc/88/77/95/827887795.db2.gz JDAIEBNBZHKDEF-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001273374188 827896966 /nfs/dbraw/zinc/89/69/66/827896966.db2.gz HEMQGXZXCJHUCA-LBPRGKRZSA-N 2 1 284.404 -0.217 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273699364 827919696 /nfs/dbraw/zinc/91/96/96/827919696.db2.gz LJCKFJOCISWRPF-HNNXBMFYSA-N 2 1 296.415 -0.392 20 0 CBADMP CC(C)[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273914926 827940595 /nfs/dbraw/zinc/94/05/95/827940595.db2.gz LMSKUNNZZILFLD-UHFFFAOYSA-N 2 1 255.362 -0.130 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274047652 827956418 /nfs/dbraw/zinc/95/64/18/827956418.db2.gz SBIOOAFNASIYJC-GXTWGEPZSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H](CO)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274068807 827964632 /nfs/dbraw/zinc/96/46/32/827964632.db2.gz OQNMZLCSPGJSMY-LBPRGKRZSA-N 2 1 285.388 -0.910 20 0 CBADMP CNC(=O)C[NH2+]C/C=C/CNC(=O)Cn1c[nH+]cc1C ZINC001274201878 827973205 /nfs/dbraw/zinc/97/32/05/827973205.db2.gz HQYPMYGEHVAOML-ONEGZZNKSA-N 2 1 279.344 -0.800 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC2CC2)C1 ZINC001274578079 828004001 /nfs/dbraw/zinc/00/40/01/828004001.db2.gz FBONLOBBJLDQJV-QAVQXKDTSA-N 2 1 294.399 -0.521 20 0 CBADMP CNC(=O)C[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1C ZINC001274577730 828004615 /nfs/dbraw/zinc/00/46/15/828004615.db2.gz BQUWTFQGMPXYGI-ARJAWSKDSA-N 2 1 279.344 -0.800 20 0 CBADMP CCC[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274634163 828014059 /nfs/dbraw/zinc/01/40/59/828014059.db2.gz DZFYQEQBDLZDJW-CYBMUJFWSA-N 2 1 299.415 -0.378 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274643447 828016784 /nfs/dbraw/zinc/01/67/84/828016784.db2.gz QFDROZCLZYTZGA-ZFWWWQNUSA-N 2 1 299.415 -0.378 20 0 CBADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C)CC3)[C@@H]2C1 ZINC001275047259 828052019 /nfs/dbraw/zinc/05/20/19/828052019.db2.gz RZNUBROYJUQPOI-CHWSQXEVSA-N 2 1 280.416 -0.310 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](C)C[C@@]2(CCCC(=O)N2)C1 ZINC001275047457 828052671 /nfs/dbraw/zinc/05/26/71/828052671.db2.gz UJUBYRHBHOGSFA-AWEZNQCLSA-N 2 1 268.405 -0.166 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001275199323 828065780 /nfs/dbraw/zinc/06/57/80/828065780.db2.gz JYXKECMWJFDRNF-RYUDHWBXSA-N 2 1 294.399 -0.783 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001275199323 828065787 /nfs/dbraw/zinc/06/57/87/828065787.db2.gz JYXKECMWJFDRNF-RYUDHWBXSA-N 2 1 294.399 -0.783 20 0 CBADMP C[C@@H](C[NH2+]CCN1CCNC1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001275265436 828073943 /nfs/dbraw/zinc/07/39/43/828073943.db2.gz BDYHZLZRRREJEK-NWDGAFQWSA-N 2 1 297.403 -0.800 20 0 CBADMP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001276047698 828132406 /nfs/dbraw/zinc/13/24/06/828132406.db2.gz FCYMDLYVTYBBSK-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP COC(C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C)OC ZINC001276642546 828153680 /nfs/dbraw/zinc/15/36/80/828153680.db2.gz IXAAXVVRHGJVNF-OLZOCXBDSA-N 2 1 287.404 -0.448 20 0 CBADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001276714519 828156948 /nfs/dbraw/zinc/15/69/48/828156948.db2.gz ZVWJZLDYOMYFHV-CVEARBPZSA-N 3 1 296.459 -0.067 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001277141940 828176885 /nfs/dbraw/zinc/17/68/85/828176885.db2.gz ULSGHZVMHRRXKN-NXEZZACHSA-N 2 1 268.361 -0.807 20 0 CBADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1COCCO1)C2 ZINC001277526373 828192435 /nfs/dbraw/zinc/19/24/35/828192435.db2.gz CGRYZHMRFIOPEM-QLFBSQMISA-N 2 1 283.416 -0.031 20 0 CBADMP COC[C@@H](C(=O)OC)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001277573893 828195871 /nfs/dbraw/zinc/19/58/71/828195871.db2.gz BSTZEOTXLKVPKZ-IHRRRGAJSA-N 2 1 299.415 -0.115 20 0 CBADMP COC[C@@H](C(=O)OC)N1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001277573893 828195873 /nfs/dbraw/zinc/19/58/73/828195873.db2.gz BSTZEOTXLKVPKZ-IHRRRGAJSA-N 2 1 299.415 -0.115 20 0 CBADMP CN(C)C(=O)CC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277637405 828199748 /nfs/dbraw/zinc/19/97/48/828199748.db2.gz WTHLWXGGNGIBIJ-KBPBESRZSA-N 2 1 298.431 -0.589 20 0 CBADMP NC(=O)c1n[nH]c2c1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001277822101 828211968 /nfs/dbraw/zinc/21/19/68/828211968.db2.gz QFTIIOBGZJLYQJ-UHFFFAOYSA-N 2 1 263.345 -0.134 20 0 CBADMP NC(=O)c1n[nH]c2c1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001277822101 828211976 /nfs/dbraw/zinc/21/19/76/828211976.db2.gz QFTIIOBGZJLYQJ-UHFFFAOYSA-N 2 1 263.345 -0.134 20 0 CBADMP C[C@H](O)C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277961034 828223567 /nfs/dbraw/zinc/22/35/67/828223567.db2.gz PZJDDUXAZNFNES-AVGNSLFASA-N 2 1 257.378 -0.686 20 0 CBADMP COCCOC[NH+]1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1 ZINC001277981087 828226204 /nfs/dbraw/zinc/22/62/04/828226204.db2.gz GXGYUEDCAQTBLQ-BETUJISGSA-N 2 1 285.388 -0.264 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001278032100 828233428 /nfs/dbraw/zinc/23/34/28/828233428.db2.gz GZLVBSMHTRGXMM-XQQFMLRXSA-N 2 1 284.404 -0.803 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001278032100 828233434 /nfs/dbraw/zinc/23/34/34/828233434.db2.gz GZLVBSMHTRGXMM-XQQFMLRXSA-N 2 1 284.404 -0.803 20 0 CBADMP CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001278077310 828242461 /nfs/dbraw/zinc/24/24/61/828242461.db2.gz IFWIYAYRYQOYGZ-NWDGAFQWSA-N 2 1 257.378 -0.054 20 0 CBADMP CC(C)[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001278179658 828257212 /nfs/dbraw/zinc/25/72/12/828257212.db2.gz SVNQJSZBVUOSNN-NWDGAFQWSA-N 2 1 257.378 -0.197 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001278437922 828270270 /nfs/dbraw/zinc/27/02/70/828270270.db2.gz KWPLMINIPZLFNJ-AWEZNQCLSA-N 2 1 284.404 -0.216 20 0 CBADMP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001278437922 828270274 /nfs/dbraw/zinc/27/02/74/828270274.db2.gz KWPLMINIPZLFNJ-AWEZNQCLSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001278804307 828292003 /nfs/dbraw/zinc/29/20/03/828292003.db2.gz PZCBNIMAYAXBNZ-NEPJUHHUSA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001348447532 890627524 /nfs/dbraw/zinc/62/75/24/890627524.db2.gz QOGVUQRYILTBAF-SDDRHHMPSA-N 2 1 254.378 -0.476 20 0 CBADMP CC[C@@H](C(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC001348648033 890673342 /nfs/dbraw/zinc/67/33/42/890673342.db2.gz NWURDEVOPUNGMF-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(CC(=O)N2CC[NH2+]CC2)C1 ZINC001349485679 890825423 /nfs/dbraw/zinc/82/54/23/890825423.db2.gz BOLHQEQSZUFOIV-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374546 884777350 /nfs/dbraw/zinc/77/73/50/884777350.db2.gz LPVIYQCTCYUOSZ-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1C ZINC001211367370 884772223 /nfs/dbraw/zinc/77/22/23/884772223.db2.gz RKKYVSXLMTVDSU-IJLUTSLNSA-N 2 1 284.404 -0.363 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1C ZINC001211367370 884772235 /nfs/dbraw/zinc/77/22/35/884772235.db2.gz RKKYVSXLMTVDSU-IJLUTSLNSA-N 2 1 284.404 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001211367370 884772246 /nfs/dbraw/zinc/77/22/46/884772246.db2.gz RKKYVSXLMTVDSU-IJLUTSLNSA-N 2 1 284.404 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001211367370 884772260 /nfs/dbraw/zinc/77/22/60/884772260.db2.gz RKKYVSXLMTVDSU-IJLUTSLNSA-N 2 1 284.404 -0.363 20 0 CBADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC001326310943 884986071 /nfs/dbraw/zinc/98/60/71/884986071.db2.gz MGNFOIBXKIBXLF-LLVKDONJSA-N 3 1 254.378 -0.604 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001327562133 885408686 /nfs/dbraw/zinc/40/86/86/885408686.db2.gz JHPNPMLWFKMISD-WZRBSPASSA-N 2 1 255.362 -0.443 20 0 CBADMP [NH3+]C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC001329702337 886182601 /nfs/dbraw/zinc/18/26/01/886182601.db2.gz PABXPKCQKWQBTI-WDEREUQCSA-N 3 1 280.338 -0.039 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001331320779 886776512 /nfs/dbraw/zinc/77/65/12/886776512.db2.gz XSALKNAFPOVKLP-AXFHLTTASA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001331707959 886925759 /nfs/dbraw/zinc/92/57/59/886925759.db2.gz PCRRTRQZEPRAEY-VHSXEESVSA-N 2 1 251.334 -0.370 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H]2CNC(=O)C2)C1 ZINC001331791244 886985788 /nfs/dbraw/zinc/98/57/88/886985788.db2.gz MIUCLANEVZUIJN-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP [NH3+]CCCCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001331859000 887015479 /nfs/dbraw/zinc/01/54/79/887015479.db2.gz XBIKOPOSMHHOLE-UHFFFAOYSA-N 3 1 266.393 -0.017 20 0 CBADMP C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1C[NH2+]C1 ZINC001332399592 887259605 /nfs/dbraw/zinc/25/96/05/887259605.db2.gz DRCOKHKHVFHPKL-ZYHUDNBSSA-N 2 1 267.373 -0.131 20 0 CBADMP C[C@H](C(=O)N1CC[C@H]([NH3+])C[C@H]1C)N1CC[NH+](C)CC1 ZINC001332829691 887439578 /nfs/dbraw/zinc/43/95/78/887439578.db2.gz FQDHNGBEEIXXET-UPJWGTAASA-N 2 1 268.405 -0.040 20 0 CBADMP CCn1cnnc1CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC001336771536 888874635 /nfs/dbraw/zinc/87/46/35/888874635.db2.gz AUFGCAUHEPTJKR-LBPRGKRZSA-N 2 1 267.377 -0.115 20 0 CBADMP CCn1cnnc1CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC001336771536 888874649 /nfs/dbraw/zinc/87/46/49/888874649.db2.gz AUFGCAUHEPTJKR-LBPRGKRZSA-N 2 1 267.377 -0.115 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC001336738785 888863588 /nfs/dbraw/zinc/86/35/88/888863588.db2.gz FIADEWMVSZWNEY-JTQLQIEISA-N 2 1 256.350 -0.109 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001336964175 888936222 /nfs/dbraw/zinc/93/62/22/888936222.db2.gz GEKRUQIICLNULS-SRVKXCTJSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)C[N@H+]1C1CC1 ZINC001340242655 889414449 /nfs/dbraw/zinc/41/44/49/889414449.db2.gz VIZUEEFQSSZUJX-WCABBAIRSA-N 2 1 255.362 -0.174 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001341010476 889532876 /nfs/dbraw/zinc/53/28/76/889532876.db2.gz KUQIELJZKCIBEO-GRYCIOLGSA-N 2 1 255.362 -0.321 20 0 CBADMP CN1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC[N@H+](C)CC1 ZINC001341511651 889611501 /nfs/dbraw/zinc/61/15/01/889611501.db2.gz HZCVOZVAOBPYAD-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC[N@@H+](C)CC1 ZINC001341511651 889611515 /nfs/dbraw/zinc/61/15/15/889611515.db2.gz HZCVOZVAOBPYAD-CYBMUJFWSA-N 2 1 268.405 -0.166 20 0 CBADMP CN1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC[N@@H+](C)CC1 ZINC001341512298 889612272 /nfs/dbraw/zinc/61/22/72/889612272.db2.gz XZPUOTYXYBWODX-CYBMUJFWSA-N 2 1 268.405 -0.308 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCCn1cc[nH+]c1C ZINC001341663141 889642601 /nfs/dbraw/zinc/64/26/01/889642601.db2.gz PPIAGNHGFHYZPR-JQWIXIFHSA-N 2 1 268.361 -0.086 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001443607475 912236674 /nfs/dbraw/zinc/23/66/74/912236674.db2.gz DZFMAEAFRBGYEI-LLVKDONJSA-N 2 1 284.404 -0.537 20 0 CBADMP CN1CC[C@@H]([NH+]2CC(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001443609447 912245115 /nfs/dbraw/zinc/24/51/15/912245115.db2.gz QTSUZNBVUPQKPI-GFCCVEGCSA-N 2 1 282.388 -0.783 20 0 CBADMP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001341922252 889684291 /nfs/dbraw/zinc/68/42/91/889684291.db2.gz AHVBAAYMGCNAFB-TUAOUCFPSA-N 2 1 255.362 -0.219 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001341940427 889687350 /nfs/dbraw/zinc/68/73/50/889687350.db2.gz IPKJESGEDZVFGU-SDDRHHMPSA-N 2 1 256.394 -0.265 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CC[NH+](C)C ZINC001443771194 912274140 /nfs/dbraw/zinc/27/41/40/912274140.db2.gz WWAIVSIAOVFNQE-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001443768734 912274959 /nfs/dbraw/zinc/27/49/59/912274959.db2.gz OKNOCWXPLOUQIV-IJLUTSLNSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001443768734 912274976 /nfs/dbraw/zinc/27/49/76/912274976.db2.gz OKNOCWXPLOUQIV-IJLUTSLNSA-N 2 1 284.404 -0.348 20 0 CBADMP CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001443842246 912283109 /nfs/dbraw/zinc/28/31/09/912283109.db2.gz JVVWFBQMLCZYKU-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001443842246 912283127 /nfs/dbraw/zinc/28/31/27/912283127.db2.gz JVVWFBQMLCZYKU-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001443842246 912283148 /nfs/dbraw/zinc/28/31/48/912283148.db2.gz JVVWFBQMLCZYKU-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001443842246 912283166 /nfs/dbraw/zinc/28/31/66/912283166.db2.gz JVVWFBQMLCZYKU-CYBMUJFWSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH2+]CCCCC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001342298421 889749158 /nfs/dbraw/zinc/74/91/58/889749158.db2.gz LBGRLWJVENDLFM-LBPRGKRZSA-N 2 1 284.404 -0.168 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC001342816829 889832726 /nfs/dbraw/zinc/83/27/26/889832726.db2.gz QGLAOGLRPZUICZ-QCNOEVLYSA-N 2 1 253.346 -0.569 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3C[NH2+]CCO3)[C@H]2C1 ZINC001342816828 889832866 /nfs/dbraw/zinc/83/28/66/889832866.db2.gz QGLAOGLRPZUICZ-BJDJZHNGSA-N 2 1 253.346 -0.569 20 0 CBADMP C[NH2+][C@H](C(=O)N[C@H]1C[NH2+]CC1(C)C)c1cnn(C)c1 ZINC001342983837 889852852 /nfs/dbraw/zinc/85/28/52/889852852.db2.gz ZTVWXMOVLFGVQR-QWRGUYRKSA-N 2 1 265.361 -0.205 20 0 CBADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC001343024751 889859852 /nfs/dbraw/zinc/85/98/52/889859852.db2.gz FIWYWLQIMVUUKK-KWQFWETISA-N 2 1 267.308 -0.128 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001444244016 912393752 /nfs/dbraw/zinc/39/37/52/912393752.db2.gz ZZLQKAJHXXGTFM-VXGBXAGGSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001444248767 912400484 /nfs/dbraw/zinc/40/04/84/912400484.db2.gz PLYDIGWLXBUZIU-UPJWGTAASA-N 2 1 296.415 -0.075 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)c1cnn(C)c1 ZINC001344446821 890024763 /nfs/dbraw/zinc/02/47/63/890024763.db2.gz BLRCPYCYGAEMGG-LSJOCFKGSA-N 2 1 251.334 -0.466 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC001344519122 890037825 /nfs/dbraw/zinc/03/78/25/890037825.db2.gz SJXBIQBBCWOMMO-LOWDOPEQSA-N 2 1 269.389 -0.102 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC ZINC001444711914 912494513 /nfs/dbraw/zinc/49/45/13/912494513.db2.gz RWKOPCOJTMCVQC-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001444763067 912504838 /nfs/dbraw/zinc/50/48/38/912504838.db2.gz WHQRATQPUGRXEY-OLZOCXBDSA-N 2 1 298.431 -0.066 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001345196774 890110827 /nfs/dbraw/zinc/11/08/27/890110827.db2.gz GEGNRLVJUARGJD-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC001345186366 890110858 /nfs/dbraw/zinc/11/08/58/890110858.db2.gz NUALURXEJTWZJT-QWRGUYRKSA-N 2 1 284.404 -0.301 20 0 CBADMP 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 890123835 /nfs/dbraw/zinc/12/38/35/890123835.db2.gz MFNGQWBVZFAFCA-RFHZTLPTSA-N 2 1 267.373 -0.491 20 0 CBADMP CN(CC[N@H+](C)CCCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001444965086 912525113 /nfs/dbraw/zinc/52/51/13/912525113.db2.gz LHCXCAZBUCDQQV-LBPRGKRZSA-N 2 1 273.377 -0.910 20 0 CBADMP CN(CC[N@@H+](C)CCCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001444965086 912525124 /nfs/dbraw/zinc/52/51/24/912525124.db2.gz LHCXCAZBUCDQQV-LBPRGKRZSA-N 2 1 273.377 -0.910 20 0 CBADMP CN(CC[NH+](C)CCCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001444965086 912525135 /nfs/dbraw/zinc/52/51/35/912525135.db2.gz LHCXCAZBUCDQQV-LBPRGKRZSA-N 2 1 273.377 -0.910 20 0 CBADMP CN(CC[NH+](C)CCCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001444965086 912525146 /nfs/dbraw/zinc/52/51/46/912525146.db2.gz LHCXCAZBUCDQQV-LBPRGKRZSA-N 2 1 273.377 -0.910 20 0 CBADMP c1ncn([C@@H]2CC[N@H+](CCN3CC[NH2+]CC3)C2)n1 ZINC001346028408 890198950 /nfs/dbraw/zinc/19/89/50/890198950.db2.gz LZEJTHWYYJTBHU-GFCCVEGCSA-N 2 1 250.350 -0.570 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(N)=O)C1 ZINC001445148438 912578992 /nfs/dbraw/zinc/57/89/92/912578992.db2.gz XFPWVHSOEHHOCH-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP Cc1nc[nH]c1CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001346304861 890265212 /nfs/dbraw/zinc/26/52/12/890265212.db2.gz DIIMMEHJIKLQLG-LLVKDONJSA-N 2 1 264.329 -0.462 20 0 CBADMP Cc1nc[nH]c1CC(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC001346304861 890265226 /nfs/dbraw/zinc/26/52/26/890265226.db2.gz DIIMMEHJIKLQLG-LLVKDONJSA-N 2 1 264.329 -0.462 20 0 CBADMP CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccon1)[NH+](C)C ZINC001445256249 912615510 /nfs/dbraw/zinc/61/55/10/912615510.db2.gz ALVZFUAXUNWRIE-OLZOCXBDSA-N 2 1 298.387 -0.173 20 0 CBADMP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001445268557 912621696 /nfs/dbraw/zinc/62/16/96/912621696.db2.gz JFKBJTBNWXAHJT-NWDGAFQWSA-N 2 1 296.371 -0.499 20 0 CBADMP C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)[C@@H]1CCO ZINC001347144810 890414716 /nfs/dbraw/zinc/41/47/16/890414716.db2.gz BJUPCLCWTJLGBC-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001347160839 890421163 /nfs/dbraw/zinc/42/11/63/890421163.db2.gz RFTUZAHAPXZUIR-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445506440 912680162 /nfs/dbraw/zinc/68/01/62/912680162.db2.gz WZCAHCPFRFRJDH-DGCLKSJQSA-N 2 1 279.388 -0.034 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445550214 912698539 /nfs/dbraw/zinc/69/85/39/912698539.db2.gz XVAWSDWWNRWNMJ-QJPTWQEYSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001445550214 912698549 /nfs/dbraw/zinc/69/85/49/912698549.db2.gz XVAWSDWWNRWNMJ-QJPTWQEYSA-N 2 1 294.403 -0.250 20 0 CBADMP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001445646096 912725826 /nfs/dbraw/zinc/72/58/26/912725826.db2.gz JDBIOKJVGFOLOC-RWMBFGLXSA-N 2 1 287.404 -0.570 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H](C)C(=O)NC ZINC001445844201 912771319 /nfs/dbraw/zinc/77/13/19/912771319.db2.gz VUROGYPRKIQOKW-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H](C)C(=O)NC ZINC001445844201 912771332 /nfs/dbraw/zinc/77/13/32/912771332.db2.gz VUROGYPRKIQOKW-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(=O)NC ZINC001445844201 912771342 /nfs/dbraw/zinc/77/13/42/912771342.db2.gz VUROGYPRKIQOKW-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(=O)NC ZINC001445844201 912771350 /nfs/dbraw/zinc/77/13/50/912771350.db2.gz VUROGYPRKIQOKW-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001445864330 912774909 /nfs/dbraw/zinc/77/49/09/912774909.db2.gz BBPRQDHBMZCGJN-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001445864330 912774915 /nfs/dbraw/zinc/77/49/15/912774915.db2.gz BBPRQDHBMZCGJN-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001445866623 912774977 /nfs/dbraw/zinc/77/49/77/912774977.db2.gz HKEHLUBSNAUOJN-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C[N@@H+](C)CCn1cncn1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001445869154 912777297 /nfs/dbraw/zinc/77/72/97/912777297.db2.gz MNUHWHFRNRWHMM-STQMWFEESA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@@H](C[NH+](C)CCn1cncn1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445869154 912777302 /nfs/dbraw/zinc/77/73/02/912777302.db2.gz MNUHWHFRNRWHMM-STQMWFEESA-N 2 1 294.403 -0.334 20 0 CBADMP C[C@@H](C[NH+](C)CCn1cncn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445869154 912777309 /nfs/dbraw/zinc/77/73/09/912777309.db2.gz MNUHWHFRNRWHMM-STQMWFEESA-N 2 1 294.403 -0.334 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001445932612 912781749 /nfs/dbraw/zinc/78/17/49/912781749.db2.gz GGZYCCCEEGGUMA-NWDGAFQWSA-N 2 1 282.388 -0.689 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001445932609 912784705 /nfs/dbraw/zinc/78/47/05/912784705.db2.gz GGZYCCCEEGGUMA-NEPJUHHUSA-N 2 1 282.388 -0.689 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001445932616 912784807 /nfs/dbraw/zinc/78/48/07/912784807.db2.gz GGZYCCCEEGGUMA-VXGBXAGGSA-N 2 1 282.388 -0.689 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@H]3CCOC3)CC2)C1 ZINC001446152360 912822830 /nfs/dbraw/zinc/82/28/30/912822830.db2.gz QRUUXOFQHAJRTJ-CHWSQXEVSA-N 2 1 297.399 -0.408 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@H]3CCOC3)CC2)C1 ZINC001446152360 912822844 /nfs/dbraw/zinc/82/28/44/912822844.db2.gz QRUUXOFQHAJRTJ-CHWSQXEVSA-N 2 1 297.399 -0.408 20 0 CBADMP CC[C@H]([NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CC1)C(N)=O ZINC001446227258 912845233 /nfs/dbraw/zinc/84/52/33/912845233.db2.gz RZPNFSLELDINDX-NSHDSACASA-N 2 1 293.371 -0.306 20 0 CBADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CN(CCO)C[C@@H]1O ZINC001047525740 884628775 /nfs/dbraw/zinc/62/87/75/884628775.db2.gz RWPIIFCGBNNCEJ-STQMWFEESA-N 2 1 299.415 -0.786 20 0 CBADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047525740 884628784 /nfs/dbraw/zinc/62/87/84/884628784.db2.gz RWPIIFCGBNNCEJ-STQMWFEESA-N 2 1 299.415 -0.786 20 0 CBADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047525740 884628793 /nfs/dbraw/zinc/62/87/93/884628793.db2.gz RWPIIFCGBNNCEJ-STQMWFEESA-N 2 1 299.415 -0.786 20 0 CBADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047525740 884628800 /nfs/dbraw/zinc/62/88/00/884628800.db2.gz RWPIIFCGBNNCEJ-STQMWFEESA-N 2 1 299.415 -0.786 20 0 CBADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1)[NH+](C)C ZINC001150350161 884676445 /nfs/dbraw/zinc/67/64/45/884676445.db2.gz AIULVNDIZCGEHS-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176565788 884704223 /nfs/dbraw/zinc/70/42/23/884704223.db2.gz XHVZGVHOVWNKML-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314698 884762178 /nfs/dbraw/zinc/76/21/78/884762178.db2.gz CNYLRQHUKUZSAJ-VXGBXAGGSA-N 2 1 275.368 -0.029 20 0 CBADMP C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314698 884762169 /nfs/dbraw/zinc/76/21/69/884762169.db2.gz CNYLRQHUKUZSAJ-VXGBXAGGSA-N 2 1 275.368 -0.029 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001210810678 884765569 /nfs/dbraw/zinc/76/55/69/884765569.db2.gz CKOIEHINGFSTPD-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001210788636 884765946 /nfs/dbraw/zinc/76/59/46/884765946.db2.gz HAFDMLBVEZQBCH-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374410 884777979 /nfs/dbraw/zinc/77/79/79/884777979.db2.gz FVBFGGUELRGKNM-VXGBXAGGSA-N 2 1 273.377 -0.864 20 0 CBADMP [NH3+]C[C@@H](O)CC(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219794090 884792420 /nfs/dbraw/zinc/79/24/20/884792420.db2.gz QIOFNTHYGCEANL-ZDUSSCGKSA-N 2 1 284.404 -0.971 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC001326035964 884882131 /nfs/dbraw/zinc/88/21/31/884882131.db2.gz NBAFZVJHTBPXQN-GFCCVEGCSA-N 2 1 296.415 -0.264 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001326306816 884979561 /nfs/dbraw/zinc/97/95/61/884979561.db2.gz UFKPLSVGIKKVCM-LLVKDONJSA-N 2 1 281.360 -0.871 20 0 CBADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001326311484 884985757 /nfs/dbraw/zinc/98/57/57/884985757.db2.gz ZWSAXYFZPLUFHJ-LBPRGKRZSA-N 3 1 254.378 -0.379 20 0 CBADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001326311484 884985774 /nfs/dbraw/zinc/98/57/74/884985774.db2.gz ZWSAXYFZPLUFHJ-LBPRGKRZSA-N 3 1 254.378 -0.379 20 0 CBADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC001326346280 884995864 /nfs/dbraw/zinc/99/58/64/884995864.db2.gz CRDAYQRPTIOWDX-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC001326346282 884999018 /nfs/dbraw/zinc/99/90/18/884999018.db2.gz CRDAYQRPTIOWDX-VXGBXAGGSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC001326346281 884999134 /nfs/dbraw/zinc/99/91/34/884999134.db2.gz CRDAYQRPTIOWDX-RYUDHWBXSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001446458692 912888649 /nfs/dbraw/zinc/88/86/49/912888649.db2.gz GDYDTDDHLJZBMF-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001446458688 912889848 /nfs/dbraw/zinc/88/98/48/912889848.db2.gz GDYDTDDHLJZBMF-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001446459574 912891367 /nfs/dbraw/zinc/89/13/67/912891367.db2.gz YZBUGMPXQRCSQC-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP NC(=O)CC[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC001326583392 885074953 /nfs/dbraw/zinc/07/49/53/885074953.db2.gz IIXOJGZSTWVBQI-ZDUSSCGKSA-N 2 1 268.405 -0.131 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCO)CCC1 ZINC001326798980 885154516 /nfs/dbraw/zinc/15/45/16/885154516.db2.gz QISUOEUWRCSFGQ-LLVKDONJSA-N 2 1 255.362 -0.299 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001446566811 912905667 /nfs/dbraw/zinc/90/56/67/912905667.db2.gz WJPCLBLWJXUPSJ-OAHLLOKOSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001446566811 912905685 /nfs/dbraw/zinc/90/56/85/912905685.db2.gz WJPCLBLWJXUPSJ-OAHLLOKOSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]CCCO)C2)CC[N@H+]1C ZINC001326979840 885209421 /nfs/dbraw/zinc/20/94/21/885209421.db2.gz QULSUOVWAIIYFU-MGPQQGTHSA-N 2 1 299.415 -0.474 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001446615824 912914191 /nfs/dbraw/zinc/91/41/91/912914191.db2.gz VLWCVYFSMRUFCL-CQSZACIVSA-N 2 1 293.371 -0.495 20 0 CBADMP O=C(C[N@H+]1CCC[C@H]2COCC[C@@H]21)N1CC[NH2+]CC1 ZINC001327086715 885254021 /nfs/dbraw/zinc/25/40/21/885254021.db2.gz GKVWFIFBNKMNAP-STQMWFEESA-N 2 1 267.373 -0.081 20 0 CBADMP CC[NH+]1CCN(CCCCNC(=O)C[NH2+]C)CC1 ZINC001327196010 885285525 /nfs/dbraw/zinc/28/55/25/885285525.db2.gz MAOIPWHRXIXIRV-UHFFFAOYSA-N 2 1 256.394 -0.260 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC001327546106 885400886 /nfs/dbraw/zinc/40/08/86/885400886.db2.gz SBVXOPACIUOFSK-UHFFFAOYSA-N 2 1 268.361 -0.983 20 0 CBADMP C([C@H]1C[NH2+]CCO1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327560919 885407322 /nfs/dbraw/zinc/40/73/22/885407322.db2.gz AGHACMDJCMAFDL-CHWSQXEVSA-N 2 1 255.362 -0.619 20 0 CBADMP COCCOCC[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC001327561602 885408296 /nfs/dbraw/zinc/40/82/96/885408296.db2.gz GVSDSXSPYQIVPV-CQSZACIVSA-N 2 1 287.404 -0.745 20 0 CBADMP C[C@]12COC[C@H]1C[N@@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001327560907 885408747 /nfs/dbraw/zinc/40/87/47/885408747.db2.gz AFDTYKKKARXVGF-YPMHNXCESA-N 2 1 253.346 -0.614 20 0 CBADMP C[NH2+][C@@H](C(=O)NCC12CC(C1)C[NH2+]2)c1cnn(C)c1 ZINC001327601840 885425538 /nfs/dbraw/zinc/42/55/38/885425538.db2.gz QJOFPEBMMLARHI-DMLGSKKGSA-N 2 1 263.345 -0.451 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](CNCC23CC(C2)C[NH2+]3)C1 ZINC001327660151 885444660 /nfs/dbraw/zinc/44/46/60/885444660.db2.gz XPGNJRZHPKGKNW-LKSINWNRSA-N 2 1 266.389 -0.475 20 0 CBADMP 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 885461531 /nfs/dbraw/zinc/46/15/31/885461531.db2.gz IYCKHGGXNUAFGG-FRMPLNAESA-N 2 1 296.411 -0.657 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001446758166 912941383 /nfs/dbraw/zinc/94/13/83/912941383.db2.gz NEYGQVWMQJKUNB-OCCSQVGLSA-N 2 1 299.415 -0.596 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC001327919580 885529056 /nfs/dbraw/zinc/52/90/56/885529056.db2.gz TVIXCTLUZBIOGH-OLZOCXBDSA-N 2 1 296.415 -0.310 20 0 CBADMP CC[NH+]1CCN(CCCC[NH2+]CCC(=O)NC(N)=O)CC1 ZINC001327977601 885545401 /nfs/dbraw/zinc/54/54/01/885545401.db2.gz IKAUKOWWMCMEQR-UHFFFAOYSA-N 2 1 299.419 -0.421 20 0 CBADMP CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001446801009 912954839 /nfs/dbraw/zinc/95/48/39/912954839.db2.gz ZVIXTNQVVUTQRX-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001446801009 912954852 /nfs/dbraw/zinc/95/48/52/912954852.db2.gz ZVIXTNQVVUTQRX-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001446801009 912954865 /nfs/dbraw/zinc/95/48/65/912954865.db2.gz ZVIXTNQVVUTQRX-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001446801009 912954877 /nfs/dbraw/zinc/95/48/77/912954877.db2.gz ZVIXTNQVVUTQRX-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001446801009 912954886 /nfs/dbraw/zinc/95/48/86/912954886.db2.gz ZVIXTNQVVUTQRX-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCOC1 ZINC001328490106 885706538 /nfs/dbraw/zinc/70/65/38/885706538.db2.gz IBGHVDMRDSHOAQ-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001328773638 885809464 /nfs/dbraw/zinc/80/94/64/885809464.db2.gz XAJINDRGHDJKPH-CHWSQXEVSA-N 2 1 296.415 -0.217 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC001329058999 885906731 /nfs/dbraw/zinc/90/67/31/885906731.db2.gz FXQQYWNAYQZYIF-LLVKDONJSA-N 2 1 295.387 -0.249 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001329446829 886074210 /nfs/dbraw/zinc/07/42/10/886074210.db2.gz KJPHQVAQAJYHLF-GHMZBOCLSA-N 2 1 282.388 -0.608 20 0 CBADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC(=O)N1CCNCC1 ZINC001329490558 886092409 /nfs/dbraw/zinc/09/24/09/886092409.db2.gz MSJRLQDVRIKTMV-YHWZYXNKSA-N 3 1 266.389 -0.238 20 0 CBADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001329498722 886096430 /nfs/dbraw/zinc/09/64/30/886096430.db2.gz HYQOTOMRIHKKEM-JHJVBQTASA-N 3 1 268.405 -0.277 20 0 CBADMP C[C@@H]1CN(CC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCO1 ZINC001329500226 886097600 /nfs/dbraw/zinc/09/76/00/886097600.db2.gz ZWOLLBXXGHGYBJ-CABCVRRESA-N 2 1 282.432 -0.313 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC(N)=O ZINC001447051969 913011090 /nfs/dbraw/zinc/01/10/90/913011090.db2.gz ZONCHFLSWYEBCE-QWHCGFSZSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC(N)=O ZINC001447051969 913011111 /nfs/dbraw/zinc/01/11/11/913011111.db2.gz ZONCHFLSWYEBCE-QWHCGFSZSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001447051969 913011134 /nfs/dbraw/zinc/01/11/34/913011134.db2.gz ZONCHFLSWYEBCE-QWHCGFSZSA-N 2 1 296.415 -0.123 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001447051969 913011153 /nfs/dbraw/zinc/01/11/53/913011153.db2.gz ZONCHFLSWYEBCE-QWHCGFSZSA-N 2 1 296.415 -0.123 20 0 CBADMP COCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001447049817 913011789 /nfs/dbraw/zinc/01/17/89/913011789.db2.gz YQQUNZUICYZRQS-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001447049817 913011809 /nfs/dbraw/zinc/01/18/09/913011809.db2.gz YQQUNZUICYZRQS-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001447049817 913011821 /nfs/dbraw/zinc/01/18/21/913011821.db2.gz YQQUNZUICYZRQS-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP [NH3+]C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC001329702337 886182590 /nfs/dbraw/zinc/18/25/90/886182590.db2.gz PABXPKCQKWQBTI-WDEREUQCSA-N 3 1 280.338 -0.039 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001329838262 886232590 /nfs/dbraw/zinc/23/25/90/886232590.db2.gz OLCQNRJJJNQEIN-VXGBXAGGSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@@]12COC[C@]1(C)C[N@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001329925341 886282083 /nfs/dbraw/zinc/28/20/83/886282083.db2.gz GPUNARXJWJSPKQ-OKILXGFUSA-N 2 1 267.373 -0.223 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC001329937271 886286112 /nfs/dbraw/zinc/28/61/12/886286112.db2.gz LSFKNKCGARZVIL-GHMZBOCLSA-N 2 1 252.318 -0.328 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001329946890 886294816 /nfs/dbraw/zinc/29/48/16/886294816.db2.gz ZRJLDEGJPKOLCN-GFCCVEGCSA-N 2 1 282.388 -0.510 20 0 CBADMP CC(C)CNC(=O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC001330022202 886326868 /nfs/dbraw/zinc/32/68/68/886326868.db2.gz KVJZAHXEOPMNMT-UHFFFAOYSA-N 2 1 299.419 -0.405 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001447196049 913035059 /nfs/dbraw/zinc/03/50/59/913035059.db2.gz GREMDRHLENRIFT-VXGBXAGGSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H]([NH3+])Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001330288941 886411774 /nfs/dbraw/zinc/41/17/74/886411774.db2.gz BCEMZEXKWVRMET-SNVBAGLBSA-N 3 1 252.366 -0.409 20 0 CBADMP C[NH2+]C[C@@H](C)CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC001330363482 886428509 /nfs/dbraw/zinc/42/85/09/886428509.db2.gz GWJMJPFRBZGCSA-SNVBAGLBSA-N 2 1 263.407 -0.145 20 0 CBADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCOC2(C[NH2+]C2)C1 ZINC001330600798 886496563 /nfs/dbraw/zinc/49/65/63/886496563.db2.gz ASWHYPAIVXSGLJ-NXEZZACHSA-N 2 1 262.313 -0.286 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC1([NH3+])CCOCC1 ZINC001330626692 886511016 /nfs/dbraw/zinc/51/10/16/886511016.db2.gz QONHMFCFZIZWDI-UHFFFAOYSA-N 2 1 252.318 -0.184 20 0 CBADMP CON(C)C(=O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001330775481 886559805 /nfs/dbraw/zinc/55/98/05/886559805.db2.gz SFBIVTVOKZOHGB-UHFFFAOYSA-N 2 1 296.375 -0.737 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC001330859498 886597405 /nfs/dbraw/zinc/59/74/05/886597405.db2.gz GGHOGYQQOQFUKY-VHSXEESVSA-N 2 1 256.350 -0.950 20 0 CBADMP C[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])C1=CC[N@@H+](C)CC1 ZINC001330859106 886598258 /nfs/dbraw/zinc/59/82/58/886598258.db2.gz BCVSOJBTXDUQGO-WDEREUQCSA-N 2 1 282.388 -0.394 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001331168154 886707181 /nfs/dbraw/zinc/70/71/81/886707181.db2.gz PPKLOLKYLRDFBJ-UTUOFQBUSA-N 2 1 294.399 -0.275 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331169555 886708821 /nfs/dbraw/zinc/70/88/21/886708821.db2.gz WOYUUZDKVIFDHJ-TXEJJXNPSA-N 2 1 284.404 -0.312 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001331197941 886722274 /nfs/dbraw/zinc/72/22/74/886722274.db2.gz SALORSRQQXHEGY-AVGNSLFASA-N 2 1 294.399 -0.463 20 0 CBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@H]1C ZINC001331195451 886723560 /nfs/dbraw/zinc/72/35/60/886723560.db2.gz FVFOLKOHPMQUHF-FDYHWXHSSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@H]1C ZINC001331195451 886723572 /nfs/dbraw/zinc/72/35/72/886723572.db2.gz FVFOLKOHPMQUHF-FDYHWXHSSA-N 2 1 296.415 -0.219 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001331197945 886723935 /nfs/dbraw/zinc/72/39/35/886723935.db2.gz SALORSRQQXHEGY-JHJVBQTASA-N 2 1 294.399 -0.463 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H](C[NH2+]CCO)C1CC1 ZINC001331271800 886761872 /nfs/dbraw/zinc/76/18/72/886761872.db2.gz YKSMTCNTYQRLQD-OLZOCXBDSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001331319905 886774214 /nfs/dbraw/zinc/77/42/14/886774214.db2.gz QOJDJLYCGYZPMP-GARJFASQSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC001331318012 886774380 /nfs/dbraw/zinc/77/43/80/886774380.db2.gz CVEHDTDRPGOYNV-NSHDSACASA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC001331320853 886777140 /nfs/dbraw/zinc/77/71/40/886777140.db2.gz YULRMMAEDWTJIZ-WDEREUQCSA-N 2 1 296.371 -0.148 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001331320780 886777604 /nfs/dbraw/zinc/77/76/04/886777604.db2.gz XSALKNAFPOVKLP-DCAQKATOSA-N 2 1 282.388 -0.419 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(N)=O ZINC001331406936 886796981 /nfs/dbraw/zinc/79/69/81/886796981.db2.gz PICCISDWSISZES-ZJUUUORDSA-N 2 1 256.350 -0.998 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCF ZINC001331408215 886798059 /nfs/dbraw/zinc/79/80/59/886798059.db2.gz BWTWRWWZRBDEBE-WDEREUQCSA-N 2 1 261.341 -0.277 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCF ZINC001331408215 886798073 /nfs/dbraw/zinc/79/80/73/886798073.db2.gz BWTWRWWZRBDEBE-WDEREUQCSA-N 2 1 261.341 -0.277 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CCF)C2)C1 ZINC001447473819 913084239 /nfs/dbraw/zinc/08/42/39/913084239.db2.gz MNCCWQDLJKOACO-OCCSQVGLSA-N 2 1 287.379 -0.149 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC001331514437 886828653 /nfs/dbraw/zinc/82/86/53/886828653.db2.gz GBDDMRUUPUORFK-LBPRGKRZSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC001331514436 886830776 /nfs/dbraw/zinc/83/07/76/886830776.db2.gz GBDDMRUUPUORFK-GFCCVEGCSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331616222 886867159 /nfs/dbraw/zinc/86/71/59/886867159.db2.gz AANQMSJSSMDWGI-AVGNSLFASA-N 2 1 296.415 -0.170 20 0 CBADMP CN(CCOCC[NH3+])C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC001331725218 886939220 /nfs/dbraw/zinc/93/92/20/886939220.db2.gz LQALVQVVXKHRGV-SNVBAGLBSA-N 2 1 281.360 -0.466 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001331847520 887011437 /nfs/dbraw/zinc/01/14/37/887011437.db2.gz NUNXXWVQOAFPLD-NSHDSACASA-N 2 1 264.391 -0.411 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001331847520 887011448 /nfs/dbraw/zinc/01/14/48/887011448.db2.gz NUNXXWVQOAFPLD-NSHDSACASA-N 2 1 264.391 -0.411 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001331847517 887012981 /nfs/dbraw/zinc/01/29/81/887012981.db2.gz NUNXXWVQOAFPLD-LLVKDONJSA-N 2 1 264.391 -0.411 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001331847517 887012987 /nfs/dbraw/zinc/01/29/87/887012987.db2.gz NUNXXWVQOAFPLD-LLVKDONJSA-N 2 1 264.391 -0.411 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001331853460 887014860 /nfs/dbraw/zinc/01/48/60/887014860.db2.gz SFLKUFALJDWYIM-GFCCVEGCSA-N 2 1 282.388 -0.510 20 0 CBADMP C[N@@H+](C[C@@H](O)Cn1cc(COCC[NH3+])nn1)C1CC1 ZINC001331897430 887036466 /nfs/dbraw/zinc/03/64/66/887036466.db2.gz SPODXIIHLBFHAM-GFCCVEGCSA-N 2 1 269.349 -0.792 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NCC[NH+]2CC=CC2)C1 ZINC001332093043 887107965 /nfs/dbraw/zinc/10/79/65/887107965.db2.gz JSBSQLHCYLIHBV-UHFFFAOYSA-N 2 1 266.389 -0.532 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1 ZINC001332333493 887207359 /nfs/dbraw/zinc/20/73/59/887207359.db2.gz CBUFNOLOXZGZDF-DGORSVRFSA-N 2 1 253.346 -0.563 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)C1 ZINC001332333499 887207474 /nfs/dbraw/zinc/20/74/74/887207474.db2.gz CBUFNOLOXZGZDF-HTFCKZLJSA-N 2 1 253.346 -0.563 20 0 CBADMP OCC[NH2+]C1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001332334316 887209767 /nfs/dbraw/zinc/20/97/67/887209767.db2.gz KGTRZYMKVULCHZ-CYBMUJFWSA-N 3 1 269.389 -0.589 20 0 CBADMP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CCNCC2)CC1 ZINC001332414668 887268596 /nfs/dbraw/zinc/26/85/96/887268596.db2.gz AUFRULDNHWTOEU-NSHDSACASA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001332423542 887273354 /nfs/dbraw/zinc/27/33/54/887273354.db2.gz DVJBEABCTMHAPR-NEPJUHHUSA-N 3 1 254.378 -0.665 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001332423542 887273368 /nfs/dbraw/zinc/27/33/68/887273368.db2.gz DVJBEABCTMHAPR-NEPJUHHUSA-N 3 1 254.378 -0.665 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)NCCC[NH+]1CCOCC1 ZINC001332495726 887320098 /nfs/dbraw/zinc/32/00/98/887320098.db2.gz QGFJNZVWIPSGDI-GFCCVEGCSA-N 2 1 270.377 -0.159 20 0 CBADMP CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001332546584 887349624 /nfs/dbraw/zinc/34/96/24/887349624.db2.gz IUHAZSXKUHUQIE-LLVKDONJSA-N 2 1 254.334 -0.380 20 0 CBADMP COCCOCC[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC001332628176 887381303 /nfs/dbraw/zinc/38/13/03/887381303.db2.gz OAZWRVNORADEBB-CQSZACIVSA-N 2 1 271.405 -0.124 20 0 CBADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC001332717417 887417616 /nfs/dbraw/zinc/41/76/16/887417616.db2.gz QPNWVICUKGKYPN-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC001332717417 887417621 /nfs/dbraw/zinc/41/76/21/887417621.db2.gz QPNWVICUKGKYPN-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP CCC(=O)N1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001332816883 887438132 /nfs/dbraw/zinc/43/81/32/887438132.db2.gz YFZVDEDNSMBGJA-SRVKXCTJSA-N 2 1 255.362 -0.219 20 0 CBADMP CCC(=O)N1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001332816883 887438137 /nfs/dbraw/zinc/43/81/37/887438137.db2.gz YFZVDEDNSMBGJA-SRVKXCTJSA-N 2 1 255.362 -0.219 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CCCO)C2)C1 ZINC001333155090 887542098 /nfs/dbraw/zinc/54/20/98/887542098.db2.gz YCFUJYRWEORMKN-JXQTWKCFSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CCCO)C2)C1 ZINC001333155090 887542109 /nfs/dbraw/zinc/54/21/09/887542109.db2.gz YCFUJYRWEORMKN-JXQTWKCFSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001333179008 887555265 /nfs/dbraw/zinc/55/52/65/887555265.db2.gz PWNDRRPMGABHKE-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC001333404768 887623605 /nfs/dbraw/zinc/62/36/05/887623605.db2.gz ICQLPNAMJPYYCU-WZRBSPASSA-N 2 1 294.399 -0.394 20 0 CBADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC001333548013 887687407 /nfs/dbraw/zinc/68/74/07/887687407.db2.gz KTUZIIWFZGJFTK-SRVKXCTJSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@H](CO)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001333621853 887720542 /nfs/dbraw/zinc/72/05/42/887720542.db2.gz IBZCOAYLHBLLCI-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001447949882 913174436 /nfs/dbraw/zinc/17/44/36/913174436.db2.gz TZFUVVBTGJKRAS-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)C1 ZINC001334338666 887925601 /nfs/dbraw/zinc/92/56/01/887925601.db2.gz QEVFEMDKDLWSCZ-XGUBFFRZSA-N 3 1 282.432 -0.451 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001334762024 888312908 /nfs/dbraw/zinc/31/29/08/888312908.db2.gz CWYVZBIUHFCRHQ-TUAOUCFPSA-N 3 1 252.362 -0.770 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001334762024 888312917 /nfs/dbraw/zinc/31/29/17/888312917.db2.gz CWYVZBIUHFCRHQ-TUAOUCFPSA-N 3 1 252.362 -0.770 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC001335259338 888474611 /nfs/dbraw/zinc/47/46/11/888474611.db2.gz DIGDGTZCSHQOOY-JHJVBQTASA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC[N@H+]1C ZINC001335259338 888474619 /nfs/dbraw/zinc/47/46/19/888474619.db2.gz DIGDGTZCSHQOOY-JHJVBQTASA-N 2 1 296.415 -0.362 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)NCC1([NH3+])CC1 ZINC001335352511 888514602 /nfs/dbraw/zinc/51/46/02/888514602.db2.gz XXHUWMPRCNLJIQ-UHFFFAOYSA-N 2 1 258.366 -0.255 20 0 CBADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC(N)=O ZINC001335384436 888520591 /nfs/dbraw/zinc/52/05/91/888520591.db2.gz OSZNBZGITIUDCW-CYBMUJFWSA-N 2 1 265.357 -0.056 20 0 CBADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC(N)=O ZINC001335384436 888520583 /nfs/dbraw/zinc/52/05/83/888520583.db2.gz OSZNBZGITIUDCW-CYBMUJFWSA-N 2 1 265.357 -0.056 20 0 CBADMP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1nncn1C ZINC001335449703 888535880 /nfs/dbraw/zinc/53/58/80/888535880.db2.gz UNZYLTGOOJAVJX-PWSUYJOCSA-N 2 1 267.377 -0.037 20 0 CBADMP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1nncn1C ZINC001335449703 888535890 /nfs/dbraw/zinc/53/58/90/888535890.db2.gz UNZYLTGOOJAVJX-PWSUYJOCSA-N 2 1 267.377 -0.037 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC[C@@H](O)c2ccccn2)C1 ZINC001335458626 888538400 /nfs/dbraw/zinc/53/84/00/888538400.db2.gz RNIRJIMKINGXPE-CHWSQXEVSA-N 2 1 251.330 -0.229 20 0 CBADMP CN1CC[C@@](O)(C[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC001335458626 888538408 /nfs/dbraw/zinc/53/84/08/888538408.db2.gz RNIRJIMKINGXPE-CHWSQXEVSA-N 2 1 251.330 -0.229 20 0 CBADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC001335458626 888538415 /nfs/dbraw/zinc/53/84/15/888538415.db2.gz RNIRJIMKINGXPE-CHWSQXEVSA-N 2 1 251.330 -0.229 20 0 CBADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC001335458626 888538420 /nfs/dbraw/zinc/53/84/20/888538420.db2.gz RNIRJIMKINGXPE-CHWSQXEVSA-N 2 1 251.330 -0.229 20 0 CBADMP C[N@H+]1CCCC[C@H]1CNC(=O)N(CC[NH3+])CCO ZINC001335725516 888613606 /nfs/dbraw/zinc/61/36/06/888613606.db2.gz DXEVQZWHWFXRCA-NSHDSACASA-N 2 1 258.366 -0.567 20 0 CBADMP Cn1c[nH+]cc1CC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC001335954480 888659831 /nfs/dbraw/zinc/65/98/31/888659831.db2.gz NOEJPXQTFHNPRO-GFCCVEGCSA-N 2 1 269.345 -0.545 20 0 CBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001336644950 888826889 /nfs/dbraw/zinc/82/68/89/888826889.db2.gz BJJJQDXZVZKTLK-SLEUVZQESA-N 2 1 296.415 -0.632 20 0 CBADMP [NH3+]Cc1ncc(C(=O)NCCN2CC[NH2+]CC2)s1 ZINC001336647057 888831556 /nfs/dbraw/zinc/83/15/56/888831556.db2.gz PSXAMEDMAAIFBT-UHFFFAOYSA-N 2 1 269.374 -0.763 20 0 CBADMP CC(=O)N1CCN(CC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001336757025 888870247 /nfs/dbraw/zinc/87/02/47/888870247.db2.gz WLNXXAZWXKDNAN-OAHLLOKOSA-N 2 1 298.431 -0.805 20 0 CBADMP CC(=O)N1CCN(CC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC001336757025 888870265 /nfs/dbraw/zinc/87/02/65/888870265.db2.gz WLNXXAZWXKDNAN-OAHLLOKOSA-N 2 1 298.431 -0.805 20 0 CBADMP CCn1cnnc1CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC001336771535 888877031 /nfs/dbraw/zinc/87/70/31/888877031.db2.gz AUFGCAUHEPTJKR-GFCCVEGCSA-N 2 1 267.377 -0.115 20 0 CBADMP CCn1cnnc1CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001336771535 888877037 /nfs/dbraw/zinc/87/70/37/888877037.db2.gz AUFGCAUHEPTJKR-GFCCVEGCSA-N 2 1 267.377 -0.115 20 0 CBADMP CC[NH2+]CCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001336905763 888917084 /nfs/dbraw/zinc/91/70/84/888917084.db2.gz IXVZWJIBGFEFFH-CHWSQXEVSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH2+]CCN(C)C(=O)NCCCCC[NH+]1CCNCC1 ZINC001336940822 888929107 /nfs/dbraw/zinc/92/91/07/888929107.db2.gz DJMBDDAIIWGJIK-UHFFFAOYSA-N 2 1 285.436 -0.077 20 0 CBADMP COCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC001336978001 888941534 /nfs/dbraw/zinc/94/15/34/888941534.db2.gz OGVKLAIIDBTALV-WDEREUQCSA-N 2 1 259.350 -0.813 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)NCC2([NH3+])CC2)n1C ZINC001337014695 888948587 /nfs/dbraw/zinc/94/85/87/888948587.db2.gz CNUMWYBMPVKJSA-UHFFFAOYSA-N 2 1 266.349 -0.223 20 0 CBADMP C[N@H+]1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1(C)C ZINC001337015479 888950018 /nfs/dbraw/zinc/95/00/18/888950018.db2.gz DSDXQGQZLWCEQI-QWRGUYRKSA-N 2 1 255.362 -0.097 20 0 CBADMP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@H]1CC[NH2+]C1 ZINC001337094532 888963364 /nfs/dbraw/zinc/96/33/64/888963364.db2.gz KNXOKXJFNWDRAJ-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@H]1CC[NH2+]C1 ZINC001337094532 888963376 /nfs/dbraw/zinc/96/33/76/888963376.db2.gz KNXOKXJFNWDRAJ-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC001337420181 889005363 /nfs/dbraw/zinc/00/53/63/889005363.db2.gz HCUVYZJEDQIDMW-DGCLKSJQSA-N 2 1 294.399 -0.450 20 0 CBADMP CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC001337420183 889006376 /nfs/dbraw/zinc/00/63/76/889006376.db2.gz HCUVYZJEDQIDMW-YPMHNXCESA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC001337517144 889027959 /nfs/dbraw/zinc/02/79/59/889027959.db2.gz XINJRWFNCRCOOM-NDBYEHHHSA-N 2 1 294.399 -0.608 20 0 CBADMP 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 913309663 /nfs/dbraw/zinc/30/96/63/913309663.db2.gz BUELYJZOUCVYIM-DDHJBXDOSA-N 2 1 282.388 -0.704 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001338065061 889113351 /nfs/dbraw/zinc/11/33/51/889113351.db2.gz NZHUTITYSZBMJA-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001338065061 889113354 /nfs/dbraw/zinc/11/33/54/889113354.db2.gz NZHUTITYSZBMJA-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001448518914 913313262 /nfs/dbraw/zinc/31/32/62/913313262.db2.gz AQVMRVRYVIQWIF-JHJVBQTASA-N 2 1 298.431 -0.053 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001338759891 889199874 /nfs/dbraw/zinc/19/98/74/889199874.db2.gz LMVMEZKDTDKDLB-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001338759891 889199883 /nfs/dbraw/zinc/19/98/83/889199883.db2.gz LMVMEZKDTDKDLB-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001340041466 889369351 /nfs/dbraw/zinc/36/93/51/889369351.db2.gz KCVXLHOZIBXFBO-BZPMIXESSA-N 2 1 269.389 -0.053 20 0 CBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CO)C1 ZINC001340055999 889371545 /nfs/dbraw/zinc/37/15/45/889371545.db2.gz FZVLAHCXLOSIPW-GHMZBOCLSA-N 2 1 257.378 -0.067 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC001340127723 889388235 /nfs/dbraw/zinc/38/82/35/889388235.db2.gz HDPZCQZDWIUIEU-IUCAKERBSA-N 2 1 251.334 -0.158 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)[C@@H](C)C[NH2+]1 ZINC001340127398 889389005 /nfs/dbraw/zinc/38/90/05/889389005.db2.gz AWMVFGCSCQZUAY-VOAKCMCISA-N 2 1 266.389 -0.417 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC(C)([NH3+])CC1 ZINC001340147753 889395671 /nfs/dbraw/zinc/39/56/71/889395671.db2.gz OMHLBUPDNBMECE-RYUDHWBXSA-N 2 1 266.389 -0.286 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC(C)([NH3+])CC1 ZINC001340147754 889395966 /nfs/dbraw/zinc/39/59/66/889395966.db2.gz OMHLBUPDNBMECE-VXGBXAGGSA-N 2 1 266.389 -0.286 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001340174053 889402053 /nfs/dbraw/zinc/40/20/53/889402053.db2.gz YAEXIZKUBGVNHW-SCRDCRAPSA-N 2 1 267.373 -0.320 20 0 CBADMP [NH3+][C@H](CO)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001340287096 889419903 /nfs/dbraw/zinc/41/99/03/889419903.db2.gz LOJHWUNSVXXSNL-UHTWSYAYSA-N 2 1 267.373 -0.219 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001340615875 889454921 /nfs/dbraw/zinc/45/49/21/889454921.db2.gz PGXXRXNOHQSJJL-MNOVXSKESA-N 2 1 253.346 -0.282 20 0 CBADMP C[C@H]1Cn2nc(C(=O)NCCOCCC[NH3+])cc2C[NH2+]1 ZINC001340846141 889496153 /nfs/dbraw/zinc/49/61/53/889496153.db2.gz WJQUCWNFJZRWGJ-JTQLQIEISA-N 2 1 281.360 -0.530 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CNCC[NH3+])C1 ZINC001340987623 889527895 /nfs/dbraw/zinc/52/78/95/889527895.db2.gz XISCRMDEFUGZFX-VXGBXAGGSA-N 2 1 254.378 -0.523 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001341010476 889532864 /nfs/dbraw/zinc/53/28/64/889532864.db2.gz KUQIELJZKCIBEO-GRYCIOLGSA-N 2 1 255.362 -0.321 20 0 CBADMP C[C@@H]([NH3+])CC(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001341035374 889536122 /nfs/dbraw/zinc/53/61/22/889536122.db2.gz IEIAOZPSZKEUBZ-NOZJJQNGSA-N 2 1 263.345 -0.280 20 0 CBADMP O=C(CN1CC[NH2+]CC1)NCCCCC[NH+]1CCNCC1 ZINC001341072421 889538737 /nfs/dbraw/zinc/53/87/37/889538737.db2.gz OGMAQDCPDAVPNQ-UHFFFAOYSA-N 2 1 297.447 -0.917 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH2+]C1CC1 ZINC001341354087 889581434 /nfs/dbraw/zinc/58/14/34/889581434.db2.gz PTLKCUUZEBZEMY-JQWIXIFHSA-N 2 1 252.362 -0.757 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001341419714 889592375 /nfs/dbraw/zinc/59/23/75/889592375.db2.gz QXTMJSBZTNOFQU-SMDDNHRTSA-N 2 1 269.389 -0.053 20 0 CBADMP CC1(C)CC[N@@H+](CCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001341419713 889592922 /nfs/dbraw/zinc/59/29/22/889592922.db2.gz QXTMJSBZTNOFQU-RISCZKNCSA-N 2 1 269.389 -0.053 20 0 CBADMP CN1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC[N@H+](C)CC1 ZINC001341511930 889613083 /nfs/dbraw/zinc/61/30/83/889613083.db2.gz MOPKIMQFNAMGDI-QWHCGFSZSA-N 2 1 286.395 -0.360 20 0 CBADMP CN1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC[N@@H+](C)CC1 ZINC001341511930 889613088 /nfs/dbraw/zinc/61/30/88/889613088.db2.gz MOPKIMQFNAMGDI-QWHCGFSZSA-N 2 1 286.395 -0.360 20 0 CBADMP [NH3+]CCN1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC001341587026 889628511 /nfs/dbraw/zinc/62/85/11/889628511.db2.gz SQDAZVSFWLDPCW-DGCLKSJQSA-N 2 1 294.399 -0.463 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1)C1CC1 ZINC001341584952 889629977 /nfs/dbraw/zinc/62/99/77/889629977.db2.gz KLJPNTQFBPVGOM-DGCLKSJQSA-N 2 1 255.362 -0.300 20 0 CBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](O)C[NH3+])[C@H](C)C1 ZINC001341619469 889633895 /nfs/dbraw/zinc/63/38/95/889633895.db2.gz MREFXNVMSOKXHM-WOPDTQHZSA-N 2 1 257.378 -0.115 20 0 CBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CNCC[NH3+] ZINC001341620089 889634545 /nfs/dbraw/zinc/63/45/45/889634545.db2.gz SBRFMAVTHKADIH-LBPRGKRZSA-N 2 1 256.394 -0.133 20 0 CBADMP C[C@H](CNC(=O)CNCC[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC001341662745 889641891 /nfs/dbraw/zinc/64/18/91/889641891.db2.gz MZKUSYBPJNBWPW-NWDGAFQWSA-N 2 1 256.394 -0.229 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001341660084 889643419 /nfs/dbraw/zinc/64/34/19/889643419.db2.gz RUKUDFBSAYEBQC-AGIUHOORSA-N 2 1 266.389 -0.367 20 0 CBADMP [NH3+]C1CC[NH+](CCNC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC001341690884 889648642 /nfs/dbraw/zinc/64/86/42/889648642.db2.gz PBIXSJJYMHJNPA-GFCCVEGCSA-N 3 1 268.405 -0.085 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001341748900 889658008 /nfs/dbraw/zinc/65/80/08/889658008.db2.gz UIZQHCPZHABKMC-WUHRBBMRSA-N 2 1 266.389 -0.430 20 0 CBADMP C[C@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC[NH2+]1 ZINC001341764575 889659851 /nfs/dbraw/zinc/65/98/51/889659851.db2.gz INEOSWXDIPMXHN-SRVKXCTJSA-N 2 1 252.362 -0.805 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1(C)CC[NH2+]CC1 ZINC001341769064 889660398 /nfs/dbraw/zinc/66/03/98/889660398.db2.gz YRUDMRDCGASPNM-RYUDHWBXSA-N 2 1 266.389 -0.367 20 0 CBADMP C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001342037341 889701577 /nfs/dbraw/zinc/70/15/77/889701577.db2.gz SNROPTAMQMALCL-MDZLAQPJSA-N 2 1 268.405 -0.123 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001448776449 913373737 /nfs/dbraw/zinc/37/37/37/913373737.db2.gz DCAGIBCZJARFES-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001448776449 913373751 /nfs/dbraw/zinc/37/37/51/913373751.db2.gz DCAGIBCZJARFES-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CC[NH+](C)C ZINC001448768653 913374483 /nfs/dbraw/zinc/37/44/83/913374483.db2.gz OXWHPSVELNRDAF-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP C[NH2+]CCOCCNC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001342218380 889734006 /nfs/dbraw/zinc/73/40/06/889734006.db2.gz HSUYKQMUXGLMNA-SNVBAGLBSA-N 2 1 281.360 -0.659 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001342303776 889750356 /nfs/dbraw/zinc/75/03/56/889750356.db2.gz XTABIKWZMFTMPA-GFCCVEGCSA-N 2 1 263.301 -0.813 20 0 CBADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C1(C[NH3+])CC(O)C1 ZINC001342347803 889756495 /nfs/dbraw/zinc/75/64/95/889756495.db2.gz KBONWDNGRMQSIX-ATJQQHLPSA-N 2 1 267.373 -0.219 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC001342567348 889792422 /nfs/dbraw/zinc/79/24/22/889792422.db2.gz ANTLHHSRMHKWFR-OUAUKWLOSA-N 2 1 268.361 -0.937 20 0 CBADMP C[C@@H]1[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC[N@H+]1C ZINC001342571210 889796151 /nfs/dbraw/zinc/79/61/51/889796151.db2.gz VLVWOWVHKXTEQO-BYNQJWBRSA-N 2 1 267.373 -0.179 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C[C@H]1[NH3+] ZINC001342648853 889810175 /nfs/dbraw/zinc/81/01/75/889810175.db2.gz LPEZQMSBRSSNTB-KXNHARMFSA-N 2 1 252.362 -0.820 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2[NH2+]CC23CCOCC3)CC[N@H+]1C ZINC001342649979 889811166 /nfs/dbraw/zinc/81/11/66/889811166.db2.gz QDCCAYNMGLEBCR-WOPDTQHZSA-N 2 1 267.373 -0.036 20 0 CBADMP CCO[C@@H](CNC(=O)[C@H]1CSC[NH2+]1)C[NH+](C)C ZINC001342666084 889813074 /nfs/dbraw/zinc/81/30/74/889813074.db2.gz KJLMZOIDTJWUDY-VHSXEESVSA-N 2 1 261.391 -0.268 20 0 CBADMP C[C@]1(C(=O)NCCCCC[NH+]2CCNCC2)C[C@@H](O)C[NH2+]1 ZINC001342678228 889814685 /nfs/dbraw/zinc/81/46/85/889814685.db2.gz AKNIIUXPVKHJOA-UKRRQHHQSA-N 2 1 298.431 -0.709 20 0 CBADMP CN1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[N@@H+](C)CC1 ZINC001342915392 889845230 /nfs/dbraw/zinc/84/52/30/889845230.db2.gz XKKUPIIJUHCLNB-CQSZACIVSA-N 2 1 284.404 -0.929 20 0 CBADMP CN1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[N@@H+](C)CC1 ZINC001342915145 889846165 /nfs/dbraw/zinc/84/61/65/889846165.db2.gz VOUSFAFCODSXDM-OLZOCXBDSA-N 2 1 284.404 -0.944 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001342941685 889847795 /nfs/dbraw/zinc/84/77/95/889847795.db2.gz CERYYXGORLWWNX-HZSPNIEDSA-N 2 1 299.415 -0.020 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH3+])CC(O)C3)C[C@]2(C)C1 ZINC001342994093 889850379 /nfs/dbraw/zinc/85/03/79/889850379.db2.gz LSCPLKBFYIPGSQ-VSUDMTKCSA-N 2 1 267.373 -0.504 20 0 CBADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@H](F)[C@H]1CC[NH2+]C1 ZINC001343024748 889859687 /nfs/dbraw/zinc/85/96/87/889859687.db2.gz FIWYWLQIMVUUKK-GZMMTYOYSA-N 2 1 267.308 -0.128 20 0 CBADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@@]1(F)CC[NH2+]C1 ZINC001343025849 889859811 /nfs/dbraw/zinc/85/98/11/889859811.db2.gz OIDMLZZNONASPX-LLVKDONJSA-N 2 1 253.281 -0.374 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001343373470 889896306 /nfs/dbraw/zinc/89/63/06/889896306.db2.gz DIYPUXBNDNEMGR-WCQYABFASA-N 2 1 266.345 -0.189 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H](C)[C@@H](O)C[NH2+]C)C1CC1 ZINC001343419652 889903831 /nfs/dbraw/zinc/90/38/31/889903831.db2.gz FVAZNQJASDCXMT-JQWIXIFHSA-N 2 1 257.378 -0.197 20 0 CBADMP C[C@@H]1Cn2nc(C(=O)N[C@H]3CCC[NH2+]C3)cc2C[NH2+]1 ZINC001343457571 889912344 /nfs/dbraw/zinc/91/23/44/889912344.db2.gz DVINYBWDGZPLLR-ZJUUUORDSA-N 2 1 263.345 -0.143 20 0 CBADMP [NH3+]C1(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CCC1 ZINC001343566783 889932602 /nfs/dbraw/zinc/93/26/02/889932602.db2.gz KJVVAMBXEBWABR-VXGBXAGGSA-N 2 1 267.373 -0.075 20 0 CBADMP [NH3+]C1(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CCC1 ZINC001343566782 889932681 /nfs/dbraw/zinc/93/26/81/889932681.db2.gz KJVVAMBXEBWABR-RYUDHWBXSA-N 2 1 267.373 -0.075 20 0 CBADMP C[NH2+]CCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001343565818 889933012 /nfs/dbraw/zinc/93/30/12/889933012.db2.gz ANSCXMVECIATPO-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001343568157 889934750 /nfs/dbraw/zinc/93/47/50/889934750.db2.gz WRJKGSHBYMBPTK-TUAOUCFPSA-N 2 1 255.362 -0.348 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001343591026 889938293 /nfs/dbraw/zinc/93/82/93/889938293.db2.gz AWBGNSAFTQHRFC-ZDEQEGDKSA-N 2 1 268.405 -0.278 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001343620509 889941460 /nfs/dbraw/zinc/94/14/60/889941460.db2.gz DHKBFHHFRIBOSR-CYBMUJFWSA-N 2 1 296.415 -0.264 20 0 CBADMP [NH3+]Cc1ncc(C(=O)NC[C@@H]2C[NH2+]CCO2)s1 ZINC001343671221 889946532 /nfs/dbraw/zinc/94/65/32/889946532.db2.gz DRWOKIXFXWCHAR-ZETCQYMHSA-N 2 1 256.331 -0.680 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001344082228 890001654 /nfs/dbraw/zinc/00/16/54/890001654.db2.gz STXFIKVDEVTCOH-MNOVXSKESA-N 2 1 252.318 -0.579 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001344128721 890005384 /nfs/dbraw/zinc/00/53/84/890005384.db2.gz UPUPYEZRUQSHNM-DGCLKSJQSA-N 2 1 255.362 -0.299 20 0 CBADMP O=C(NC[C@@H]1COCCN1)[C@@H]1NCCc2occc21 ZINC001344356179 890015209 /nfs/dbraw/zinc/01/52/09/890015209.db2.gz BGBSUCCUGBJGIM-BXKDBHETSA-N 2 1 265.313 -0.429 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001344374751 890019911 /nfs/dbraw/zinc/01/99/11/890019911.db2.gz QEGZSDPWGNVRBX-NWDGAFQWSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(NCCCCCN1CC[NH2+]CC1)[C@@H]1CSC[NH2+]1 ZINC001344920757 890080502 /nfs/dbraw/zinc/08/05/02/890080502.db2.gz SJYYNJWINJBYHV-LBPRGKRZSA-N 2 1 286.445 -0.159 20 0 CBADMP C[C@H](C(=O)N[C@H]1C[NH2+]CC1(C)C)N1CC[NH+](C)CC1 ZINC001345380940 890125017 /nfs/dbraw/zinc/12/50/17/890125017.db2.gz MIGKCDOSFRXBMZ-NEPJUHHUSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001345537385 890141341 /nfs/dbraw/zinc/14/13/41/890141341.db2.gz URHQUCPLTQSSGC-DGCLKSJQSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001346018691 890198823 /nfs/dbraw/zinc/19/88/23/890198823.db2.gz ZJFWFQSKBZQMEY-RYUDHWBXSA-N 3 1 254.378 -0.523 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001346018691 890198829 /nfs/dbraw/zinc/19/88/29/890198829.db2.gz ZJFWFQSKBZQMEY-RYUDHWBXSA-N 3 1 254.378 -0.523 20 0 CBADMP C[C@H](C(=O)N[C@@H](C)CCC[NH3+])N1CC[NH+](C)CC1 ZINC001346056987 890208896 /nfs/dbraw/zinc/20/88/96/890208896.db2.gz XHWIVSBTCZXXPA-NWDGAFQWSA-N 2 1 256.394 -0.134 20 0 CBADMP C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CN(C)CCN1C ZINC001346228794 890243419 /nfs/dbraw/zinc/24/34/19/890243419.db2.gz MEZGFYYOSILBMF-YFKTTZPYSA-N 2 1 254.378 -0.526 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC001346320961 890266733 /nfs/dbraw/zinc/26/67/33/890266733.db2.gz RSJFZQGAIVALCC-NSHDSACASA-N 2 1 253.350 -0.413 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)NCC2([NH3+])CC2)C1 ZINC001346339071 890270258 /nfs/dbraw/zinc/27/02/58/890270258.db2.gz JGYNFWHKRASODJ-JTQLQIEISA-N 2 1 256.350 -0.502 20 0 CBADMP [NH3+]C/C=C\CNC(=O)NCCCCC[NH+]1CCNCC1 ZINC001346488726 890304568 /nfs/dbraw/zinc/30/45/68/890304568.db2.gz DCYRRKVHHWLASN-RQOWECAXSA-N 2 1 283.420 -0.124 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC001347156680 890417743 /nfs/dbraw/zinc/41/77/43/890417743.db2.gz ALLGFEMVIPUDHC-OLZOCXBDSA-N 2 1 284.404 -0.896 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC001347603821 890485905 /nfs/dbraw/zinc/48/59/05/890485905.db2.gz RZHTWIXLLQQNJG-JHJVBQTASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC001347603821 890485916 /nfs/dbraw/zinc/48/59/16/890485916.db2.gz RZHTWIXLLQQNJG-JHJVBQTASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC001347603821 890485922 /nfs/dbraw/zinc/48/59/22/890485922.db2.gz RZHTWIXLLQQNJG-JHJVBQTASA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CCC[NH+](C)C1 ZINC001347603820 890486940 /nfs/dbraw/zinc/48/69/40/890486940.db2.gz RZHTWIXLLQQNJG-FRRDWIJNSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001347603820 890486948 /nfs/dbraw/zinc/48/69/48/890486948.db2.gz RZHTWIXLLQQNJG-FRRDWIJNSA-N 2 1 266.389 -0.415 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001347603820 890486954 /nfs/dbraw/zinc/48/69/54/890486954.db2.gz RZHTWIXLLQQNJG-FRRDWIJNSA-N 2 1 266.389 -0.415 20 0 CBADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001348593693 890659012 /nfs/dbraw/zinc/65/90/12/890659012.db2.gz QJTBTBPMSWRBIJ-YPMHNXCESA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H]1C ZINC001448980977 913475930 /nfs/dbraw/zinc/47/59/30/913475930.db2.gz OIILRSMXTALDLY-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001348838206 890708976 /nfs/dbraw/zinc/70/89/76/890708976.db2.gz YZQQHZSLGABGKC-MELADBBJSA-N 2 1 280.416 -0.262 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCC[NH+](C)C ZINC001348841898 890714193 /nfs/dbraw/zinc/71/41/93/890714193.db2.gz HXFMNJPKWLTMKN-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001349022613 890748015 /nfs/dbraw/zinc/74/80/15/890748015.db2.gz FHNMMFNXVZGQBU-GFCCVEGCSA-N 2 1 284.404 -0.489 20 0 CBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2CC[NH2+]CC2)C1 ZINC001349098732 890759677 /nfs/dbraw/zinc/75/96/77/890759677.db2.gz JKMNVZCYOKPNLK-CYBMUJFWSA-N 2 1 296.415 -0.310 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1=CC[NH+](C)CC1 ZINC001349403155 890809040 /nfs/dbraw/zinc/80/90/40/890809040.db2.gz GTSGARREIABXCH-OCCSQVGLSA-N 2 1 278.400 -0.247 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC1=CC[N@H+](C)CC1 ZINC001349403155 890809054 /nfs/dbraw/zinc/80/90/54/890809054.db2.gz GTSGARREIABXCH-OCCSQVGLSA-N 2 1 278.400 -0.247 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC1=CC[N@@H+](C)CC1 ZINC001349403155 890809058 /nfs/dbraw/zinc/80/90/58/890809058.db2.gz GTSGARREIABXCH-OCCSQVGLSA-N 2 1 278.400 -0.247 20 0 CBADMP C[C@H](C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)N1CC[NH+](C)CC1 ZINC001349417667 890809371 /nfs/dbraw/zinc/80/93/71/890809371.db2.gz IHMVSISANOEZPX-YNEHKIRRSA-N 2 1 268.405 -0.182 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(CCN3CC[NH2+]CC3)CC2)C1 ZINC001349486950 890823591 /nfs/dbraw/zinc/82/35/91/890823591.db2.gz OPZMXCTWTKVKMO-INIZCTEOSA-N 2 1 295.475 -0.397 20 0 CBADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCN3CC[NH2+]CC3)CC2)C1 ZINC001349486950 890823606 /nfs/dbraw/zinc/82/36/06/890823606.db2.gz OPZMXCTWTKVKMO-INIZCTEOSA-N 3 1 295.475 -0.397 20 0 CBADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCN3CC[NH2+]CC3)CC2)C1 ZINC001349486950 890823616 /nfs/dbraw/zinc/82/36/16/890823616.db2.gz OPZMXCTWTKVKMO-INIZCTEOSA-N 3 1 295.475 -0.397 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC001349996100 890921784 /nfs/dbraw/zinc/92/17/84/890921784.db2.gz VJWBEZWKJGIDTD-YFKTTZPYSA-N 2 1 282.388 -0.561 20 0 CBADMP O=C(C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC001350092295 890936848 /nfs/dbraw/zinc/93/68/48/890936848.db2.gz HEHUGPPRJGVDNZ-OLZOCXBDSA-N 2 1 267.373 -0.081 20 0 CBADMP O=C(C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC001350092294 890936895 /nfs/dbraw/zinc/93/68/95/890936895.db2.gz HEHUGPPRJGVDNZ-CHWSQXEVSA-N 2 1 267.373 -0.081 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H](Cn3ccnn3)C2)C1 ZINC001350910295 891067691 /nfs/dbraw/zinc/06/76/91/891067691.db2.gz PARDIKSCWZGPLS-RHYQMDGZSA-N 2 1 251.334 -0.549 20 0 CBADMP C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449220112 913545416 /nfs/dbraw/zinc/54/54/16/913545416.db2.gz UWWPELOURPUSHC-NEPJUHHUSA-N 2 1 275.393 -0.930 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1CC[NH2+]CC1 ZINC001352990427 891335257 /nfs/dbraw/zinc/33/52/57/891335257.db2.gz ZXKGOTWYDCDKSA-WCQYABFASA-N 2 1 266.389 -0.510 20 0 CBADMP C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449220137 913548226 /nfs/dbraw/zinc/54/82/26/913548226.db2.gz UWWPELOURPUSHC-VXGBXAGGSA-N 2 1 275.393 -0.930 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1C ZINC001353258231 891388345 /nfs/dbraw/zinc/38/83/45/891388345.db2.gz AVQNPPWVPQPWRE-WYUUTHIRSA-N 2 1 280.372 -0.842 20 0 CBADMP COCCOC[C@H](O)C[NH2+][C@@H]1CCc2c[nH+]cn2C1 ZINC001353242418 891389020 /nfs/dbraw/zinc/38/90/20/891389020.db2.gz WKCMFPZBINMQQJ-DGCLKSJQSA-N 2 1 269.345 -0.189 20 0 CBADMP O[C@@H](C[NH2+]CCNc1ncccn1)C[NH+]1CCCC1 ZINC001353246531 891389895 /nfs/dbraw/zinc/38/98/95/891389895.db2.gz KHSFWTBIOVXSDT-LBPRGKRZSA-N 2 1 265.361 -0.065 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)N1CCNCC[NH2+]CC1 ZINC001353286457 891392192 /nfs/dbraw/zinc/39/21/92/891392192.db2.gz ARVWAQXWBQMZMR-UHFFFAOYSA-N 2 1 294.403 -0.214 20 0 CBADMP CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001449240055 913553345 /nfs/dbraw/zinc/55/33/45/913553345.db2.gz HNXMCGJTGBHZLR-NEPJUHHUSA-N 2 1 275.368 -0.341 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001449240055 913553360 /nfs/dbraw/zinc/55/33/60/913553360.db2.gz HNXMCGJTGBHZLR-NEPJUHHUSA-N 2 1 275.368 -0.341 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCF)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449240055 913553373 /nfs/dbraw/zinc/55/33/73/913553373.db2.gz HNXMCGJTGBHZLR-NEPJUHHUSA-N 2 1 275.368 -0.341 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCF)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449240055 913553383 /nfs/dbraw/zinc/55/33/83/913553383.db2.gz HNXMCGJTGBHZLR-NEPJUHHUSA-N 2 1 275.368 -0.341 20 0 CBADMP [NH3+]CCCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001353423972 891425063 /nfs/dbraw/zinc/42/50/63/891425063.db2.gz FWZKTWYDVOPSMY-QWHCGFSZSA-N 2 1 284.404 -0.034 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[C@H](O)C[NH2+]C)C1 ZINC001353496715 891436335 /nfs/dbraw/zinc/43/63/35/891436335.db2.gz UBFDMMATGMINSI-QJPTWQEYSA-N 2 1 257.378 -0.339 20 0 CBADMP [NH3+]C1(CNC(=O)C[NH+]2CCC(CO)CC2)CCC1 ZINC001353602012 891449418 /nfs/dbraw/zinc/44/94/18/891449418.db2.gz GNTDGBXTOFIGDL-UHFFFAOYSA-N 2 1 255.362 -0.312 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC001353591806 891449857 /nfs/dbraw/zinc/44/98/57/891449857.db2.gz VTMOEGQFOQWNMM-RKDXNWHRSA-N 2 1 251.334 -0.301 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001353591012 891450439 /nfs/dbraw/zinc/45/04/39/891450439.db2.gz BZPJKAQGEGNZNL-WOPDTQHZSA-N 2 1 252.362 -0.805 20 0 CBADMP COCC[NH2+]CCNC(=O)c1cnc(C[NH3+])s1 ZINC001353602337 891451106 /nfs/dbraw/zinc/45/11/06/891451106.db2.gz LWINTOHIVMHLTG-UHFFFAOYSA-N 2 1 258.347 -0.432 20 0 CBADMP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[NH+]1CCC(CO)CC1 ZINC001353668781 891459586 /nfs/dbraw/zinc/45/95/86/891459586.db2.gz ZOSIOZXTPJPCKO-LBPRGKRZSA-N 2 1 269.389 -0.053 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001353729898 891467756 /nfs/dbraw/zinc/46/77/56/891467756.db2.gz VZVDOXCBHOOPFO-RNJOBUHISA-N 2 1 269.389 -0.102 20 0 CBADMP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001353729896 891467963 /nfs/dbraw/zinc/46/79/63/891467963.db2.gz VZVDOXCBHOOPFO-QNWHQSFQSA-N 2 1 269.389 -0.102 20 0 CBADMP C[C@@H]([NH3+])CONC(=O)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC001354073683 891511240 /nfs/dbraw/zinc/51/12/40/891511240.db2.gz KVXRJJYLRVVJFP-HTQZYQBOSA-N 2 1 253.306 -0.505 20 0 CBADMP COc1ccccc1[C@H]([NH3+])C(=O)NCC1(O)C[NH2+]C1 ZINC001354224026 891539384 /nfs/dbraw/zinc/53/93/84/891539384.db2.gz OZIRMGLBBISSHX-NSHDSACASA-N 2 1 265.313 -0.855 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)NCCCCC[NH+]1CCNCC1 ZINC001354969281 891633149 /nfs/dbraw/zinc/63/31/49/891633149.db2.gz HYZWRVIDFJISOP-LBPRGKRZSA-N 2 1 272.393 -0.848 20 0 CBADMP C[C@@]1(C(=O)NCCCCC[NH+]2CCNCC2)C[NH2+]CCO1 ZINC001354970539 891634373 /nfs/dbraw/zinc/63/43/73/891634373.db2.gz NISTWTCMCUUOEG-HNNXBMFYSA-N 2 1 298.431 -0.443 20 0 CBADMP [NH3+]C1(CC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC001356228494 891740799 /nfs/dbraw/zinc/74/07/99/891740799.db2.gz RYTGSXCGWFAXEO-VXGBXAGGSA-N 2 1 267.373 -0.075 20 0 CBADMP C[C@H](NC(=O)CC[NH2+]C1CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001356252698 891744454 /nfs/dbraw/zinc/74/44/54/891744454.db2.gz JRQRAANKDDEGDX-WCQYABFASA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)CC[NH2+]C1CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001356252698 891744464 /nfs/dbraw/zinc/74/44/64/891744464.db2.gz JRQRAANKDDEGDX-WCQYABFASA-N 2 1 268.405 -0.121 20 0 CBADMP C[C@H](NC(=O)CC[NH2+]C1CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001356252698 891744474 /nfs/dbraw/zinc/74/44/74/891744474.db2.gz JRQRAANKDDEGDX-WCQYABFASA-N 2 1 268.405 -0.121 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001356412014 891757596 /nfs/dbraw/zinc/75/75/96/891757596.db2.gz DUJXVDJFQBYECS-WRWGMCAJSA-N 2 1 255.362 -0.193 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001356439233 891759560 /nfs/dbraw/zinc/75/95/60/891759560.db2.gz RVRAYPFFYVICCM-JTQLQIEISA-N 2 1 280.372 -0.806 20 0 CBADMP O[C@H](C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)C[NH+]1CCCC1 ZINC001356609245 891783757 /nfs/dbraw/zinc/78/37/57/891783757.db2.gz IECJBAOFCBAAAU-KFWWJZLASA-N 2 1 283.416 -0.104 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1C ZINC001357241666 891862434 /nfs/dbraw/zinc/86/24/34/891862434.db2.gz JYFCOFRZEDMAPB-CHWSQXEVSA-N 2 1 283.420 -0.327 20 0 CBADMP NC(=O)NCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001357244239 891865842 /nfs/dbraw/zinc/86/58/42/891865842.db2.gz YEGQXZQLCLHSSB-HNNXBMFYSA-N 2 1 292.383 -0.119 20 0 CBADMP NC(=O)NCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001357244239 891865853 /nfs/dbraw/zinc/86/58/53/891865853.db2.gz YEGQXZQLCLHSSB-HNNXBMFYSA-N 2 1 292.383 -0.119 20 0 CBADMP C[C@H](NC(=O)NCC1([NH3+])CC1)[C@@H]1C[N@H+](C)CCO1 ZINC001357262880 891867012 /nfs/dbraw/zinc/86/70/12/891867012.db2.gz WPRLRQLXVZINRM-UWVGGRQHSA-N 2 1 256.350 -0.504 20 0 CBADMP C[C@H](NC(=O)NCC1([NH3+])CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001357262880 891867022 /nfs/dbraw/zinc/86/70/22/891867022.db2.gz WPRLRQLXVZINRM-UWVGGRQHSA-N 2 1 256.350 -0.504 20 0 CBADMP CC(C)(O)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001357369670 891877645 /nfs/dbraw/zinc/87/76/45/891877645.db2.gz ZJHVYEAJUQESJL-OUAUKWLOSA-N 2 1 255.362 -0.172 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C23CC(C2)C[NH2+]3)C1 ZINC001357384005 891879014 /nfs/dbraw/zinc/87/90/14/891879014.db2.gz CWVUMHQFHVOWRM-AVERBVTBSA-N 2 1 294.399 -0.558 20 0 CBADMP CN1CC[NH2+]C[C@@H]1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001357431413 891892744 /nfs/dbraw/zinc/89/27/44/891892744.db2.gz USQFNWIYIPHNPV-CQSZACIVSA-N 2 1 297.447 -0.966 20 0 CBADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC001357572926 891913634 /nfs/dbraw/zinc/91/36/34/891913634.db2.gz MPGZPLMCTIIQLZ-JQWIXIFHSA-N 2 1 257.378 -0.245 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001357545548 891914310 /nfs/dbraw/zinc/91/43/10/891914310.db2.gz LWRLYMVAAUYESS-JSGCOSHPSA-N 2 1 267.373 -0.176 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2COC3(C[NH2+]C3)C2)C1 ZINC001357846945 891939354 /nfs/dbraw/zinc/93/93/54/891939354.db2.gz OQMYGHISXBTTOE-WDEREUQCSA-N 2 1 253.346 -0.425 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH2+]C[C@H]1CO ZINC001358026578 891956858 /nfs/dbraw/zinc/95/68/58/891956858.db2.gz HINGRGMWEXUAHQ-TUAOUCFPSA-N 2 1 255.362 -0.348 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001362064572 892407137 /nfs/dbraw/zinc/40/71/37/892407137.db2.gz KVCXKTFZHDHCPC-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001362282766 892564656 /nfs/dbraw/zinc/56/46/56/892564656.db2.gz GIXZZAGOTUGLCY-OLZOCXBDSA-N 2 1 286.395 -0.218 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001362282766 892564660 /nfs/dbraw/zinc/56/46/60/892564660.db2.gz GIXZZAGOTUGLCY-OLZOCXBDSA-N 2 1 286.395 -0.218 20 0 CBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001362282766 892564670 /nfs/dbraw/zinc/56/46/70/892564670.db2.gz GIXZZAGOTUGLCY-OLZOCXBDSA-N 2 1 286.395 -0.218 20 0 CBADMP O=C(CC[NH+]1CCOCC1)NCC[NH+]1CCC(O)CC1 ZINC001362452305 892693888 /nfs/dbraw/zinc/69/38/88/892693888.db2.gz SNBZPBSAVVMMEU-UHFFFAOYSA-N 2 1 285.388 -0.718 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC1CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001450384655 913689634 /nfs/dbraw/zinc/68/96/34/913689634.db2.gz WKPMBANJPHCWAG-LBPRGKRZSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001450384655 913689646 /nfs/dbraw/zinc/68/96/46/913689646.db2.gz WKPMBANJPHCWAG-LBPRGKRZSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001450384655 913689660 /nfs/dbraw/zinc/68/96/60/913689660.db2.gz WKPMBANJPHCWAG-LBPRGKRZSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001450635728 913724252 /nfs/dbraw/zinc/72/42/52/913724252.db2.gz SNCKUBIQTFQLPA-UHFFFAOYSA-N 2 1 298.431 -0.147 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21)[C@@H]1CCC[C@H]1O ZINC001362913916 893166838 /nfs/dbraw/zinc/16/68/38/893166838.db2.gz AZYHLAWAVGGASO-REWJHTLYSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)[C@@H]1CCC[C@H]1O ZINC001362913916 893166845 /nfs/dbraw/zinc/16/68/45/893166845.db2.gz AZYHLAWAVGGASO-REWJHTLYSA-N 2 1 281.400 -0.006 20 0 CBADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)[C@@H]1CCC[C@H]1O ZINC001362913916 893166849 /nfs/dbraw/zinc/16/68/49/893166849.db2.gz AZYHLAWAVGGASO-REWJHTLYSA-N 2 1 281.400 -0.006 20 0 CBADMP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@@H](CO)C[NH+]1CCCC1 ZINC001362963581 893210129 /nfs/dbraw/zinc/21/01/29/893210129.db2.gz UGIQTGSBLPGUAN-QWHCGFSZSA-N 2 1 287.379 -0.007 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCN2C[C@H]3C)C1 ZINC001362971169 893219831 /nfs/dbraw/zinc/21/98/31/893219831.db2.gz PRAMWKQKQLKQHY-HZSPNIEDSA-N 2 1 280.416 -0.025 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001450929220 913749990 /nfs/dbraw/zinc/74/99/90/913749990.db2.gz GZPBLQXITOSXCU-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC001363127799 893386758 /nfs/dbraw/zinc/38/67/58/893386758.db2.gz PEQHSXMJDMFGOL-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP O=C(CC[NH+]1CC[C@@H](F)C1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001363213068 893466251 /nfs/dbraw/zinc/46/62/51/893466251.db2.gz VLAQVOZXVUUVTA-VXGBXAGGSA-N 2 1 273.352 -0.397 20 0 CBADMP O=C(CC[N@@H+]1CC[C@@H](F)C1)NCC[NH+]1CC[C@@H](O)C1 ZINC001363213068 893466261 /nfs/dbraw/zinc/46/62/61/893466261.db2.gz VLAQVOZXVUUVTA-VXGBXAGGSA-N 2 1 273.352 -0.397 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H](F)C1)NCC[NH+]1CC[C@@H](O)C1 ZINC001363213068 893466269 /nfs/dbraw/zinc/46/62/69/893466269.db2.gz VLAQVOZXVUUVTA-VXGBXAGGSA-N 2 1 273.352 -0.397 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001363295211 893551359 /nfs/dbraw/zinc/55/13/59/893551359.db2.gz ZZLZXOKMXOHTJD-OLZOCXBDSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)CN(C)C(=O)CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001363295211 893551377 /nfs/dbraw/zinc/55/13/77/893551377.db2.gz ZZLZXOKMXOHTJD-OLZOCXBDSA-N 2 1 297.399 -0.109 20 0 CBADMP COC(=O)CN(C)C(=O)CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001363295211 893551393 /nfs/dbraw/zinc/55/13/93/893551393.db2.gz ZZLZXOKMXOHTJD-OLZOCXBDSA-N 2 1 297.399 -0.109 20 0 CBADMP C[N@@H+](CC(=O)NCC[NH+]1CC[C@@H](O)C1)[C@@H]1CCC[C@H]1O ZINC001363506975 893747233 /nfs/dbraw/zinc/74/72/33/893747233.db2.gz KBBMGYNCZPZVPC-JHJVBQTASA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](CC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCC[C@H]1O ZINC001363506975 893747238 /nfs/dbraw/zinc/74/72/38/893747238.db2.gz KBBMGYNCZPZVPC-JHJVBQTASA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](CC(=O)NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCC[C@H]1O ZINC001363506975 893747246 /nfs/dbraw/zinc/74/72/46/893747246.db2.gz KBBMGYNCZPZVPC-JHJVBQTASA-N 2 1 285.388 -0.986 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCN(C(=O)CC[N@H+]2CC[C@H](F)C2)C1 ZINC001363677679 893910142 /nfs/dbraw/zinc/91/01/42/893910142.db2.gz OVVLLEMGGSGNCJ-JSGCOSHPSA-N 2 1 287.379 -0.055 20 0 CBADMP CCc1nccn1CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001364060842 894171496 /nfs/dbraw/zinc/17/14/96/894171496.db2.gz TYYWBKJHWAEMAL-CHWSQXEVSA-N 2 1 291.399 -0.050 20 0 CBADMP CCc1[nH+]ccn1CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001364060842 894171506 /nfs/dbraw/zinc/17/15/06/894171506.db2.gz TYYWBKJHWAEMAL-CHWSQXEVSA-N 2 1 291.399 -0.050 20 0 CBADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCC(N)=O)CC1 ZINC001364399502 894392331 /nfs/dbraw/zinc/39/23/31/894392331.db2.gz CAAIRASRYYJVLN-UHFFFAOYSA-N 2 1 284.404 -0.217 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@]3(CCOC3=O)C2)CC1 ZINC001364833263 894645855 /nfs/dbraw/zinc/64/58/55/894645855.db2.gz BOOOXXNFDSTDJF-OAHLLOKOSA-N 2 1 295.383 -0.211 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@]3(CCOC3=O)C2)CC1 ZINC001364833263 894645862 /nfs/dbraw/zinc/64/58/62/894645862.db2.gz BOOOXXNFDSTDJF-OAHLLOKOSA-N 2 1 295.383 -0.211 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1C[NH+](C)CC1(C)C ZINC001364955793 894700606 /nfs/dbraw/zinc/70/06/06/894700606.db2.gz RNPKQVBLSPCKGQ-FRRDWIJNSA-N 2 1 280.416 -0.169 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001364955793 894700622 /nfs/dbraw/zinc/70/06/22/894700622.db2.gz RNPKQVBLSPCKGQ-FRRDWIJNSA-N 2 1 280.416 -0.169 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001364955793 894700639 /nfs/dbraw/zinc/70/06/39/894700639.db2.gz RNPKQVBLSPCKGQ-FRRDWIJNSA-N 2 1 280.416 -0.169 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001365834833 895132228 /nfs/dbraw/zinc/13/22/28/895132228.db2.gz QWKXCPHZDIGZMC-AAVRWANBSA-N 2 1 299.415 -0.428 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001365886587 895138429 /nfs/dbraw/zinc/13/84/29/895138429.db2.gz IUARFCICVFCRLR-DYEKYZERSA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001365886587 895138437 /nfs/dbraw/zinc/13/84/37/895138437.db2.gz IUARFCICVFCRLR-DYEKYZERSA-N 2 1 298.431 -0.102 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940595 895144254 /nfs/dbraw/zinc/14/42/54/895144254.db2.gz HNRCQTKOYBXWCS-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940595 895144260 /nfs/dbraw/zinc/14/42/60/895144260.db2.gz HNRCQTKOYBXWCS-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001365953400 895148962 /nfs/dbraw/zinc/14/89/62/895148962.db2.gz SUNULMCJPRXKBB-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001365953390 895149560 /nfs/dbraw/zinc/14/95/60/895149560.db2.gz SUNULMCJPRXKBB-KBPBESRZSA-N 2 1 299.415 -0.472 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001365971792 895156743 /nfs/dbraw/zinc/15/67/43/895156743.db2.gz BTOAMAPYFAITIS-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001365971792 895156750 /nfs/dbraw/zinc/15/67/50/895156750.db2.gz BTOAMAPYFAITIS-NWDGAFQWSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001365984978 895161326 /nfs/dbraw/zinc/16/13/26/895161326.db2.gz MJIMVNLMANILIU-JHJVBQTASA-N 2 1 287.404 -0.476 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001365992344 895167261 /nfs/dbraw/zinc/16/72/61/895167261.db2.gz GGGYWGAVXCJXMM-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001365992344 895167264 /nfs/dbraw/zinc/16/72/64/895167264.db2.gz GGGYWGAVXCJXMM-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001365992344 895167268 /nfs/dbraw/zinc/16/72/68/895167268.db2.gz GGGYWGAVXCJXMM-ZDUSSCGKSA-N 2 1 294.403 -0.190 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001365995656 895167651 /nfs/dbraw/zinc/16/76/51/895167651.db2.gz MDQVXBRHDZIDPY-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001365995656 895167658 /nfs/dbraw/zinc/16/76/58/895167658.db2.gz MDQVXBRHDZIDPY-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001365995656 895167662 /nfs/dbraw/zinc/16/76/62/895167662.db2.gz MDQVXBRHDZIDPY-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001365995656 895167670 /nfs/dbraw/zinc/16/76/70/895167670.db2.gz MDQVXBRHDZIDPY-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001366046963 895177464 /nfs/dbraw/zinc/17/74/64/895177464.db2.gz QPPKNKWMERQBHE-CHWSQXEVSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366072987 895182170 /nfs/dbraw/zinc/18/21/70/895182170.db2.gz DSVCPHXUJUVEJL-CHWSQXEVSA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001366072987 895182173 /nfs/dbraw/zinc/18/21/73/895182173.db2.gz DSVCPHXUJUVEJL-CHWSQXEVSA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366072987 895182178 /nfs/dbraw/zinc/18/21/78/895182178.db2.gz DSVCPHXUJUVEJL-CHWSQXEVSA-N 2 1 296.415 -0.406 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366078877 895185831 /nfs/dbraw/zinc/18/58/31/895185831.db2.gz FWAKFABBGBWQHO-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001366090442 895188580 /nfs/dbraw/zinc/18/85/80/895188580.db2.gz NNKPFPQMKASWRT-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001366102391 895190462 /nfs/dbraw/zinc/19/04/62/895190462.db2.gz LGUPJUQVGWOBPA-LBPRGKRZSA-N 2 1 294.403 -0.153 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001366103608 895192124 /nfs/dbraw/zinc/19/21/24/895192124.db2.gz JOEJLDHPPQDDLL-LBPRGKRZSA-N 2 1 294.403 -0.154 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001366116347 895196602 /nfs/dbraw/zinc/19/66/02/895196602.db2.gz LNGUUDRKTYDDBQ-AVGNSLFASA-N 2 1 296.371 -0.564 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001366115769 895198050 /nfs/dbraw/zinc/19/80/50/895198050.db2.gz IAZKUQXPYWPZQO-HAQNSBGRSA-N 2 1 293.371 -0.483 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001366128763 895202462 /nfs/dbraw/zinc/20/24/62/895202462.db2.gz CCHIGDVXZIQPKL-JOCQHMNTSA-N 2 1 296.415 -0.158 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001366128112 895202896 /nfs/dbraw/zinc/20/28/96/895202896.db2.gz NSQPVGBBYIEMFO-AVGNSLFASA-N 2 1 296.415 -0.301 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001366156310 895209200 /nfs/dbraw/zinc/20/92/00/895209200.db2.gz LNGUUDRKTYDDBQ-XQQFMLRXSA-N 2 1 296.371 -0.564 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC)C2)CC[N@H+]1C ZINC001366152264 895210146 /nfs/dbraw/zinc/21/01/46/895210146.db2.gz VSORSMZSACRBMI-QNWHQSFQSA-N 2 1 296.415 -0.301 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001366174585 895213221 /nfs/dbraw/zinc/21/32/21/895213221.db2.gz YNKXGQUDWYDPIZ-BETUJISGSA-N 2 1 294.403 -0.143 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001366169280 895214956 /nfs/dbraw/zinc/21/49/56/895214956.db2.gz IRVRWEBVDRJVGR-TXEJJXNPSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+](CC(=O)NC)C1 ZINC001366190620 895218827 /nfs/dbraw/zinc/21/88/27/895218827.db2.gz VWUZUPJAEBVLPQ-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001366190620 895218839 /nfs/dbraw/zinc/21/88/39/895218839.db2.gz VWUZUPJAEBVLPQ-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001366190620 895218852 /nfs/dbraw/zinc/21/88/52/895218852.db2.gz VWUZUPJAEBVLPQ-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001366217058 895223237 /nfs/dbraw/zinc/22/32/37/895223237.db2.gz FQFUTACUKRYYEV-GFCCVEGCSA-N 2 1 293.371 -0.352 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001366304764 895266474 /nfs/dbraw/zinc/26/64/74/895266474.db2.gz QGMFTWKAECBSLT-NSHDSACASA-N 2 1 293.371 -0.482 20 0 CBADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1cnn(C)n1 ZINC001366333089 895280346 /nfs/dbraw/zinc/28/03/46/895280346.db2.gz VXYOMHDVZSSDIY-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1)C(N)=O ZINC001366394530 895308294 /nfs/dbraw/zinc/30/82/94/895308294.db2.gz VOTSNEPXYFEPHN-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001366392770 895311394 /nfs/dbraw/zinc/31/13/94/895311394.db2.gz XNQYRHKVJBTUNO-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP CCN1CC[C@@H](N(C)CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001366522424 895348962 /nfs/dbraw/zinc/34/89/62/895348962.db2.gz XWJVJOSMFIGZCL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001366522424 895348976 /nfs/dbraw/zinc/34/89/76/895348976.db2.gz XWJVJOSMFIGZCL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001366522424 895348993 /nfs/dbraw/zinc/34/89/93/895348993.db2.gz XWJVJOSMFIGZCL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001366522424 895349030 /nfs/dbraw/zinc/34/90/30/895349030.db2.gz XWJVJOSMFIGZCL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC1CCOCC1 ZINC001366520616 895351962 /nfs/dbraw/zinc/35/19/62/895351962.db2.gz HKKXOFHXTWEJEV-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC1CCOCC1 ZINC001366520616 895351976 /nfs/dbraw/zinc/35/19/76/895351976.db2.gz HKKXOFHXTWEJEV-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)CC1CCOCC1 ZINC001366520616 895351989 /nfs/dbraw/zinc/35/19/89/895351989.db2.gz HKKXOFHXTWEJEV-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC1CCOCC1 ZINC001366520616 895352005 /nfs/dbraw/zinc/35/20/05/895352005.db2.gz HKKXOFHXTWEJEV-CQSZACIVSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001366585696 895399345 /nfs/dbraw/zinc/39/93/45/895399345.db2.gz QRZIOLPVDJAHDL-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001366585696 895399358 /nfs/dbraw/zinc/39/93/58/895399358.db2.gz QRZIOLPVDJAHDL-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001366585696 895399372 /nfs/dbraw/zinc/39/93/72/895399372.db2.gz QRZIOLPVDJAHDL-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001366585696 895399387 /nfs/dbraw/zinc/39/93/87/895399387.db2.gz QRZIOLPVDJAHDL-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP C[N@H+](CCNC(=O)CCC[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC001366596491 895401423 /nfs/dbraw/zinc/40/14/23/895401423.db2.gz OKRXVOVQNHYBKV-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@@H+](CCNC(=O)CCC[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC001366596491 895401425 /nfs/dbraw/zinc/40/14/25/895401425.db2.gz OKRXVOVQNHYBKV-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC ZINC001366602175 895405416 /nfs/dbraw/zinc/40/54/16/895405416.db2.gz ARNQLWUMYKYJLX-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC ZINC001366602175 895405421 /nfs/dbraw/zinc/40/54/21/895405421.db2.gz ARNQLWUMYKYJLX-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)NC ZINC001366602175 895405424 /nfs/dbraw/zinc/40/54/24/895405424.db2.gz ARNQLWUMYKYJLX-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)NC ZINC001366602175 895405431 /nfs/dbraw/zinc/40/54/31/895405431.db2.gz ARNQLWUMYKYJLX-LLVKDONJSA-N 2 1 270.377 -0.735 20 0 CBADMP CC(C)(C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+]1CCCC1 ZINC001366694559 895431157 /nfs/dbraw/zinc/43/11/57/895431157.db2.gz DEEOSFQRDSCUEZ-GFCCVEGCSA-N 2 1 296.415 -0.216 20 0 CBADMP O=C(Cc1c[nH]cn1)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001366700093 895433405 /nfs/dbraw/zinc/43/34/05/895433405.db2.gz UXOUDPDAPBUURX-JQWIXIFHSA-N 2 1 291.355 -0.721 20 0 CBADMP O=C(Cc1c[nH]cn1)NC[C@@H]1CCN([C@H]2CCNC2=O)C1 ZINC001366700093 895433419 /nfs/dbraw/zinc/43/34/19/895433419.db2.gz UXOUDPDAPBUURX-JQWIXIFHSA-N 2 1 291.355 -0.721 20 0 CBADMP CCC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(N)=O ZINC001366725606 895439266 /nfs/dbraw/zinc/43/92/66/895439266.db2.gz LAQLSYBXTFYRPA-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(N)=O ZINC001366725606 895439275 /nfs/dbraw/zinc/43/92/75/895439275.db2.gz LAQLSYBXTFYRPA-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CC(N)=O ZINC001366725606 895439281 /nfs/dbraw/zinc/43/92/81/895439281.db2.gz LAQLSYBXTFYRPA-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CC(N)=O ZINC001366725606 895439287 /nfs/dbraw/zinc/43/92/87/895439287.db2.gz LAQLSYBXTFYRPA-LBPRGKRZSA-N 2 1 284.404 -0.358 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C1CC1)[C@H]1CCNC1=O ZINC001366737719 895442553 /nfs/dbraw/zinc/44/25/53/895442553.db2.gz GTEIVOXWYFVFSD-STQMWFEESA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C1CC1)[C@H]1CCNC1=O ZINC001366737719 895442560 /nfs/dbraw/zinc/44/25/60/895442560.db2.gz GTEIVOXWYFVFSD-STQMWFEESA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001366737719 895442565 /nfs/dbraw/zinc/44/25/65/895442565.db2.gz GTEIVOXWYFVFSD-STQMWFEESA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001366737719 895442572 /nfs/dbraw/zinc/44/25/72/895442572.db2.gz GTEIVOXWYFVFSD-STQMWFEESA-N 2 1 294.399 -0.450 20 0 CBADMP O=C(NCC[N@H+](CCO)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001366746955 895448713 /nfs/dbraw/zinc/44/87/13/895448713.db2.gz SPPCLWNKIGJKIJ-CQSZACIVSA-N 2 1 281.400 -0.099 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001366780753 895459951 /nfs/dbraw/zinc/45/99/51/895459951.db2.gz WULVCHLZXIGEAB-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C ZINC001366782155 895460345 /nfs/dbraw/zinc/46/03/45/895460345.db2.gz ZOKUXUMEAZTWRZ-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001366832860 895466320 /nfs/dbraw/zinc/46/63/20/895466320.db2.gz HXJBNWHVAAANJY-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001366885906 895478325 /nfs/dbraw/zinc/47/83/25/895478325.db2.gz XOTRBDGWJQTWMF-GXTWGEPZSA-N 2 1 298.431 -0.162 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001366980826 895512328 /nfs/dbraw/zinc/51/23/28/895512328.db2.gz GCXBKQDGUXOYQF-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001366980826 895512338 /nfs/dbraw/zinc/51/23/38/895512338.db2.gz GCXBKQDGUXOYQF-CYBMUJFWSA-N 2 1 296.415 -0.345 20 0 CBADMP CO[C@@H](C)C[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001366983032 895515886 /nfs/dbraw/zinc/51/58/86/895515886.db2.gz IUDAQSSTJVQXBD-ZDUSSCGKSA-N 2 1 299.415 -0.208 20 0 CBADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001366993148 895519496 /nfs/dbraw/zinc/51/94/96/895519496.db2.gz LRMGRFCQWGJPAH-XUXIUFHCSA-N 2 1 297.399 -0.627 20 0 CBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001366993148 895519507 /nfs/dbraw/zinc/51/95/07/895519507.db2.gz LRMGRFCQWGJPAH-XUXIUFHCSA-N 2 1 297.399 -0.627 20 0 CBADMP COC[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001366993148 895519512 /nfs/dbraw/zinc/51/95/12/895519512.db2.gz LRMGRFCQWGJPAH-XUXIUFHCSA-N 2 1 297.399 -0.627 20 0 CBADMP COC[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001366993148 895519534 /nfs/dbraw/zinc/51/95/34/895519534.db2.gz LRMGRFCQWGJPAH-XUXIUFHCSA-N 2 1 297.399 -0.627 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001367010249 895525369 /nfs/dbraw/zinc/52/53/69/895525369.db2.gz KHOFOUSWXBWILK-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001367010249 895525377 /nfs/dbraw/zinc/52/53/77/895525377.db2.gz KHOFOUSWXBWILK-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001367027065 895535409 /nfs/dbraw/zinc/53/54/09/895535409.db2.gz ZOHSGLNQECALCL-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001367027065 895535416 /nfs/dbraw/zinc/53/54/16/895535416.db2.gz ZOHSGLNQECALCL-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001367027065 895535422 /nfs/dbraw/zinc/53/54/22/895535422.db2.gz ZOHSGLNQECALCL-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001367027065 895535432 /nfs/dbraw/zinc/53/54/32/895535432.db2.gz ZOHSGLNQECALCL-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COC)C1)[NH+](C)C ZINC001367032692 895536331 /nfs/dbraw/zinc/53/63/31/895536331.db2.gz MJIMVNLMANILIU-AGIUHOORSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001367039011 895544086 /nfs/dbraw/zinc/54/40/86/895544086.db2.gz MNWREPYLDUFFCW-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001367039011 895544088 /nfs/dbraw/zinc/54/40/88/895544088.db2.gz MNWREPYLDUFFCW-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001367039011 895544097 /nfs/dbraw/zinc/54/40/97/895544097.db2.gz MNWREPYLDUFFCW-CHWSQXEVSA-N 2 1 287.404 -0.476 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001367053582 895548761 /nfs/dbraw/zinc/54/87/61/895548761.db2.gz BNALZKSMFLZSPF-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001367053582 895548767 /nfs/dbraw/zinc/54/87/67/895548767.db2.gz BNALZKSMFLZSPF-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001367058460 895549179 /nfs/dbraw/zinc/54/91/79/895549179.db2.gz BZDKNJDRKVSWIS-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)C(=O)NC)C1 ZINC001367058460 895549194 /nfs/dbraw/zinc/54/91/94/895549194.db2.gz BZDKNJDRKVSWIS-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001367058460 895549201 /nfs/dbraw/zinc/54/92/01/895549201.db2.gz BZDKNJDRKVSWIS-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001367058460 895549209 /nfs/dbraw/zinc/54/92/09/895549209.db2.gz BZDKNJDRKVSWIS-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001367157799 895578809 /nfs/dbraw/zinc/57/88/09/895578809.db2.gz KGFAEIOPQMQREM-LBPRGKRZSA-N 2 1 296.415 -0.025 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001367201722 895583122 /nfs/dbraw/zinc/58/31/22/895583122.db2.gz QICHANAOQFQKFZ-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001367326046 895616975 /nfs/dbraw/zinc/61/69/75/895616975.db2.gz BDXHFQLVBJFBFS-UHFFFAOYSA-N 2 1 293.371 -0.305 20 0 CBADMP C[C@@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001367365532 895627238 /nfs/dbraw/zinc/62/72/38/895627238.db2.gz ZCGZBRYYBWZOLH-AAEUAGOBSA-N 2 1 294.403 -0.154 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001367465539 895639566 /nfs/dbraw/zinc/63/95/66/895639566.db2.gz NCRUEHILAFRCFK-IJLUTSLNSA-N 2 1 284.404 -0.458 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001367465541 895639853 /nfs/dbraw/zinc/63/98/53/895639853.db2.gz NCRUEHILAFRCFK-UTUOFQBUSA-N 2 1 284.404 -0.458 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001367531950 895657596 /nfs/dbraw/zinc/65/75/96/895657596.db2.gz DHNFPACONSBQKJ-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001367531950 895657602 /nfs/dbraw/zinc/65/76/02/895657602.db2.gz DHNFPACONSBQKJ-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H]1CCNC1=O ZINC001367557477 895659772 /nfs/dbraw/zinc/65/97/72/895659772.db2.gz RWWPJRHAAGHVKA-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H]1CCNC1=O ZINC001367557477 895659780 /nfs/dbraw/zinc/65/97/80/895659780.db2.gz RWWPJRHAAGHVKA-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O ZINC001367557477 895659788 /nfs/dbraw/zinc/65/97/88/895659788.db2.gz RWWPJRHAAGHVKA-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC001367557477 895659796 /nfs/dbraw/zinc/65/97/96/895659796.db2.gz RWWPJRHAAGHVKA-GFCCVEGCSA-N 2 1 284.404 -0.395 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001367546704 895660288 /nfs/dbraw/zinc/66/02/88/895660288.db2.gz SFKWSCNRQLGZNI-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001367546704 895660297 /nfs/dbraw/zinc/66/02/97/895660297.db2.gz SFKWSCNRQLGZNI-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367546704 895660308 /nfs/dbraw/zinc/66/03/08/895660308.db2.gz SFKWSCNRQLGZNI-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367546704 895660324 /nfs/dbraw/zinc/66/03/24/895660324.db2.gz SFKWSCNRQLGZNI-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H]1CCNC1=O ZINC001367547937 895661468 /nfs/dbraw/zinc/66/14/68/895661468.db2.gz RQAXLNVJARWFSM-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H]1CCNC1=O ZINC001367547937 895661473 /nfs/dbraw/zinc/66/14/73/895661473.db2.gz RQAXLNVJARWFSM-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O ZINC001367547937 895661475 /nfs/dbraw/zinc/66/14/75/895661475.db2.gz RQAXLNVJARWFSM-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC001367547937 895661479 /nfs/dbraw/zinc/66/14/79/895661479.db2.gz RQAXLNVJARWFSM-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001367629769 895714585 /nfs/dbraw/zinc/71/45/85/895714585.db2.gz YJMQMLQQDUBLSI-PWSUYJOCSA-N 2 1 284.360 -0.707 20 0 CBADMP CC[C@H]([NH2+]CC[C@H](C)NC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001367636093 895716322 /nfs/dbraw/zinc/71/63/22/895716322.db2.gz BWJLVYQPWBKUEO-JQWIXIFHSA-N 2 1 295.387 -0.060 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001367645038 895720178 /nfs/dbraw/zinc/72/01/78/895720178.db2.gz RPRUPTQWXIPNSW-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001367645055 895720897 /nfs/dbraw/zinc/72/08/97/895720897.db2.gz RPRUPTQWXIPNSW-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001367662940 895731765 /nfs/dbraw/zinc/73/17/65/895731765.db2.gz VBGFSZBKDKSEHU-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)n1 ZINC001367712589 895758303 /nfs/dbraw/zinc/75/83/03/895758303.db2.gz MXQZDQHBRJNNLO-GFCCVEGCSA-N 2 1 294.403 -0.012 20 0 CBADMP C[C@@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367750882 895787758 /nfs/dbraw/zinc/78/77/58/895787758.db2.gz UPQLFUJWIWRAQN-GMXVVIOVSA-N 2 1 296.415 -0.158 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001367860070 895834566 /nfs/dbraw/zinc/83/45/66/895834566.db2.gz WKLQHQDXUPMSQU-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001367860070 895834570 /nfs/dbraw/zinc/83/45/70/895834570.db2.gz WKLQHQDXUPMSQU-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367860070 895834576 /nfs/dbraw/zinc/83/45/76/895834576.db2.gz WKLQHQDXUPMSQU-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367860070 895834578 /nfs/dbraw/zinc/83/45/78/895834578.db2.gz WKLQHQDXUPMSQU-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001367860073 895836417 /nfs/dbraw/zinc/83/64/17/895836417.db2.gz WKLQHQDXUPMSQU-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001367860073 895836426 /nfs/dbraw/zinc/83/64/26/895836426.db2.gz WKLQHQDXUPMSQU-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367860073 895836436 /nfs/dbraw/zinc/83/64/36/895836436.db2.gz WKLQHQDXUPMSQU-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367860073 895836447 /nfs/dbraw/zinc/83/64/47/895836447.db2.gz WKLQHQDXUPMSQU-VXGBXAGGSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367922309 895853368 /nfs/dbraw/zinc/85/33/68/895853368.db2.gz UIQHARNKNFJUSZ-CHWSQXEVSA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001367926904 895853597 /nfs/dbraw/zinc/85/35/97/895853597.db2.gz WDAYDEKXSYTCRM-RYUDHWBXSA-N 2 1 282.388 -0.832 20 0 CBADMP COC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001367968124 895871638 /nfs/dbraw/zinc/87/16/38/895871638.db2.gz YKLCUNQSVHONDE-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001367968124 895871648 /nfs/dbraw/zinc/87/16/48/895871648.db2.gz YKLCUNQSVHONDE-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP COC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001367968117 895872913 /nfs/dbraw/zinc/87/29/13/895872913.db2.gz YKLCUNQSVHONDE-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP COC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001367968117 895872917 /nfs/dbraw/zinc/87/29/17/895872917.db2.gz YKLCUNQSVHONDE-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CO[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001367988383 895882119 /nfs/dbraw/zinc/88/21/19/895882119.db2.gz DCLNUJOAAIZSNG-NWDGAFQWSA-N 2 1 285.388 -0.410 20 0 CBADMP CO[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001367988383 895882122 /nfs/dbraw/zinc/88/21/22/895882122.db2.gz DCLNUJOAAIZSNG-NWDGAFQWSA-N 2 1 285.388 -0.410 20 0 CBADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001368001033 895888167 /nfs/dbraw/zinc/88/81/67/895888167.db2.gz BWLNWMPMFJWQHC-FRRDWIJNSA-N 2 1 299.415 -0.428 20 0 CBADMP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001368014016 895891479 /nfs/dbraw/zinc/89/14/79/895891479.db2.gz NBKNPGGXTWHXKA-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC(=O)NC2CC2)CC1 ZINC001368040281 895896727 /nfs/dbraw/zinc/89/67/27/895896727.db2.gz FHTTZWHXQSHNMG-UHFFFAOYSA-N 2 1 296.415 -0.156 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001368184199 895931804 /nfs/dbraw/zinc/93/18/04/895931804.db2.gz VCZJZJSSDXYAIK-CQSZACIVSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001368184199 895931815 /nfs/dbraw/zinc/93/18/15/895931815.db2.gz VCZJZJSSDXYAIK-CQSZACIVSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001368184199 895931829 /nfs/dbraw/zinc/93/18/29/895931829.db2.gz VCZJZJSSDXYAIK-CQSZACIVSA-N 2 1 284.404 -0.216 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001368184199 895931843 /nfs/dbraw/zinc/93/18/43/895931843.db2.gz VCZJZJSSDXYAIK-CQSZACIVSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001368259075 895949700 /nfs/dbraw/zinc/94/97/00/895949700.db2.gz JJDFGPSMXIJUGZ-GXTWGEPZSA-N 2 1 287.404 -0.738 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001368262563 895950571 /nfs/dbraw/zinc/95/05/71/895950571.db2.gz PQKMMOFHHMKUIG-OCCSQVGLSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001368262563 895950583 /nfs/dbraw/zinc/95/05/83/895950583.db2.gz PQKMMOFHHMKUIG-OCCSQVGLSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001368262563 895950587 /nfs/dbraw/zinc/95/05/87/895950587.db2.gz PQKMMOFHHMKUIG-OCCSQVGLSA-N 2 1 285.388 -0.984 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CCCO)C1 ZINC001368277066 895958203 /nfs/dbraw/zinc/95/82/03/895958203.db2.gz ISGSOSZOEGVMNP-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001368277066 895958211 /nfs/dbraw/zinc/95/82/11/895958211.db2.gz ISGSOSZOEGVMNP-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001368277066 895958219 /nfs/dbraw/zinc/95/82/19/895958219.db2.gz ISGSOSZOEGVMNP-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001368465463 896016426 /nfs/dbraw/zinc/01/64/26/896016426.db2.gz NDYSOOIYFFKIEN-XQQFMLRXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001368662516 896055200 /nfs/dbraw/zinc/05/52/00/896055200.db2.gz XELORNXOBATUOM-QWRGUYRKSA-N 2 1 295.391 -0.902 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCO)[C@@H]1C ZINC001368796841 896081738 /nfs/dbraw/zinc/08/17/38/896081738.db2.gz JCFASOGHRWEPHX-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001368988253 896133026 /nfs/dbraw/zinc/13/30/26/896133026.db2.gz QVNQFCKHOYUUJG-RWMBFGLXSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@@H](O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001368988253 896133029 /nfs/dbraw/zinc/13/30/29/896133029.db2.gz QVNQFCKHOYUUJG-RWMBFGLXSA-N 2 1 287.404 -0.476 20 0 CBADMP COC[C@@H](O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001368988253 896133032 /nfs/dbraw/zinc/13/30/32/896133032.db2.gz QVNQFCKHOYUUJG-RWMBFGLXSA-N 2 1 287.404 -0.476 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)N(C)C ZINC001369012177 896135050 /nfs/dbraw/zinc/13/50/50/896135050.db2.gz YSJOSAAVXABBDS-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)N(C)C ZINC001369012177 896135060 /nfs/dbraw/zinc/13/50/60/896135060.db2.gz YSJOSAAVXABBDS-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)N(C)C ZINC001369012177 896135068 /nfs/dbraw/zinc/13/50/68/896135068.db2.gz YSJOSAAVXABBDS-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)N(C)C ZINC001369012177 896135074 /nfs/dbraw/zinc/13/50/74/896135074.db2.gz YSJOSAAVXABBDS-RYUDHWBXSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)N(C)C ZINC001369012175 896135735 /nfs/dbraw/zinc/13/57/35/896135735.db2.gz YSJOSAAVXABBDS-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)N(C)C ZINC001369012175 896135742 /nfs/dbraw/zinc/13/57/42/896135742.db2.gz YSJOSAAVXABBDS-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)N(C)C ZINC001369012175 896135755 /nfs/dbraw/zinc/13/57/55/896135755.db2.gz YSJOSAAVXABBDS-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)N(C)C ZINC001369012175 896135766 /nfs/dbraw/zinc/13/57/66/896135766.db2.gz YSJOSAAVXABBDS-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP CCCC[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001369056801 896143614 /nfs/dbraw/zinc/14/36/14/896143614.db2.gz MXMXDIDCXACZDB-RYUDHWBXSA-N 2 1 284.404 -0.170 20 0 CBADMP C[C@@H](NC(=O)CC[NH+]1CCOCC1)C1C[NH+](C[C@H](C)O)C1 ZINC001369101130 896152909 /nfs/dbraw/zinc/15/29/09/896152909.db2.gz QJUMCRVGFJTFLY-QWHCGFSZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001369174413 896164425 /nfs/dbraw/zinc/16/44/25/896164425.db2.gz DHBPUBKCWGEBJR-MGPQQGTHSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001369176919 896165710 /nfs/dbraw/zinc/16/57/10/896165710.db2.gz NALJQPOXLZNDDI-JOCQHMNTSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H](C)O)C2)C1 ZINC001369186793 896167209 /nfs/dbraw/zinc/16/72/09/896167209.db2.gz SJLBTYKRHJSCDA-XUXIUFHCSA-N 2 1 299.415 -0.428 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H](C)O)C2)C1 ZINC001369186793 896167216 /nfs/dbraw/zinc/16/72/16/896167216.db2.gz SJLBTYKRHJSCDA-XUXIUFHCSA-N 2 1 299.415 -0.428 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001369303473 896194178 /nfs/dbraw/zinc/19/41/78/896194178.db2.gz JSKFNRLKKJDKRU-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cn(C)nn1 ZINC001369303473 896194183 /nfs/dbraw/zinc/19/41/83/896194183.db2.gz JSKFNRLKKJDKRU-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001369331049 896220178 /nfs/dbraw/zinc/22/01/78/896220178.db2.gz DWAYHUUXFSHBEH-RYUDHWBXSA-N 2 1 275.368 -0.105 20 0 CBADMP Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369389952 896253609 /nfs/dbraw/zinc/25/36/09/896253609.db2.gz YLUAQIPXLJTZKE-WCQYABFASA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001369389952 896253621 /nfs/dbraw/zinc/25/36/21/896253621.db2.gz YLUAQIPXLJTZKE-WCQYABFASA-N 2 1 296.371 -0.499 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001369403182 896259705 /nfs/dbraw/zinc/25/97/05/896259705.db2.gz OTRVKBXHHBQGCW-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001369438915 896266779 /nfs/dbraw/zinc/26/67/79/896266779.db2.gz XOYSBGPZFKTNBA-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001369438915 896266791 /nfs/dbraw/zinc/26/67/91/896266791.db2.gz XOYSBGPZFKTNBA-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001369451395 896273614 /nfs/dbraw/zinc/27/36/14/896273614.db2.gz XJZSRHKGLZVPJF-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369516866 896305634 /nfs/dbraw/zinc/30/56/34/896305634.db2.gz TZOLOEOHCFUXGS-QWHCGFSZSA-N 2 1 287.404 -0.928 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001369516866 896305610 /nfs/dbraw/zinc/30/56/10/896305610.db2.gz TZOLOEOHCFUXGS-QWHCGFSZSA-N 2 1 287.404 -0.928 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369516866 896305621 /nfs/dbraw/zinc/30/56/21/896305621.db2.gz TZOLOEOHCFUXGS-QWHCGFSZSA-N 2 1 287.404 -0.928 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001369518422 896307442 /nfs/dbraw/zinc/30/74/42/896307442.db2.gz ZAAIGKQZCDKJBC-CYBMUJFWSA-N 2 1 298.387 -0.411 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001369518422 896307460 /nfs/dbraw/zinc/30/74/60/896307460.db2.gz ZAAIGKQZCDKJBC-CYBMUJFWSA-N 2 1 298.387 -0.411 20 0 CBADMP C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369515418 896308819 /nfs/dbraw/zinc/30/88/19/896308819.db2.gz NUZONPIMRJEXKP-QWHCGFSZSA-N 2 1 287.404 -0.786 20 0 CBADMP CNC(=O)C[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001369781545 896338114 /nfs/dbraw/zinc/33/81/14/896338114.db2.gz QQIKNJPUOVQALB-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001370003868 896386056 /nfs/dbraw/zinc/38/60/56/896386056.db2.gz IWNMIWWFROBICA-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001370003868 896386076 /nfs/dbraw/zinc/38/60/76/896386076.db2.gz IWNMIWWFROBICA-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001370003868 896386095 /nfs/dbraw/zinc/38/60/95/896386095.db2.gz IWNMIWWFROBICA-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001370003868 896386113 /nfs/dbraw/zinc/38/61/13/896386113.db2.gz IWNMIWWFROBICA-RDBSUJKOSA-N 2 1 299.415 -0.332 20 0 CBADMP CNC(=O)C[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001370219912 896410770 /nfs/dbraw/zinc/41/07/70/896410770.db2.gz CLUWGTGTELALRG-AAEUAGOBSA-N 2 1 296.415 -0.441 20 0 CBADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001370409726 896422238 /nfs/dbraw/zinc/42/22/38/896422238.db2.gz XZMPPCAULNNGMO-RWMBFGLXSA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001370613345 896446983 /nfs/dbraw/zinc/44/69/83/896446983.db2.gz FVHDZKUUAJHLRO-RVMXOQNASA-N 2 1 285.388 -0.411 20 0 CBADMP COC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001370613345 896446990 /nfs/dbraw/zinc/44/69/90/896446990.db2.gz FVHDZKUUAJHLRO-RVMXOQNASA-N 2 1 285.388 -0.411 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1nnnn1C ZINC001370672162 896471992 /nfs/dbraw/zinc/47/19/92/896471992.db2.gz ZRDFXOMCMRYNNM-MXWKQRLJSA-N 2 1 295.391 -0.540 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001371138720 896555670 /nfs/dbraw/zinc/55/56/70/896555670.db2.gz IRZALBCASIIOBF-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001371352174 896597378 /nfs/dbraw/zinc/59/73/78/896597378.db2.gz VMNICBWODDTKLD-SNVBAGLBSA-N 2 1 283.380 -0.854 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]CCn1cncn1 ZINC001371476181 896618668 /nfs/dbraw/zinc/61/86/68/896618668.db2.gz VIHRIMPMSXYNAE-LLVKDONJSA-N 2 1 291.359 -0.422 20 0 CBADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)c1nnnn1C ZINC001371472796 896619504 /nfs/dbraw/zinc/61/95/04/896619504.db2.gz NHRLYCYQYRNTKL-MNOVXSKESA-N 2 1 295.391 -0.539 20 0 CBADMP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH2+]CC(N)=O ZINC001371474234 896620807 /nfs/dbraw/zinc/62/08/07/896620807.db2.gz MHRDYVZSCVSQFT-BXUZGUMPSA-N 2 1 292.383 -0.131 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001371876649 896674376 /nfs/dbraw/zinc/67/43/76/896674376.db2.gz IRYRARLSJDLQTD-CHWSQXEVSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001371967849 896697142 /nfs/dbraw/zinc/69/71/42/896697142.db2.gz CQXAVHUSXKKNRK-GMTAPVOTSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001371967849 896697146 /nfs/dbraw/zinc/69/71/46/896697146.db2.gz CQXAVHUSXKKNRK-GMTAPVOTSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001371967849 896697153 /nfs/dbraw/zinc/69/71/53/896697153.db2.gz CQXAVHUSXKKNRK-GMTAPVOTSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001371967849 896697161 /nfs/dbraw/zinc/69/71/61/896697161.db2.gz CQXAVHUSXKKNRK-GMTAPVOTSA-N 2 1 270.377 -0.752 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCNC1=O ZINC001371968688 896697792 /nfs/dbraw/zinc/69/77/92/896697792.db2.gz IPCGWRRRLNGPIV-CHWSQXEVSA-N 2 1 294.399 -0.735 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCNC1=O ZINC001371968688 896697799 /nfs/dbraw/zinc/69/77/99/896697799.db2.gz IPCGWRRRLNGPIV-CHWSQXEVSA-N 2 1 294.399 -0.735 20 0 CBADMP C[NH+](C)C1(C(=O)NCC[N@H+](C)CCn2cncn2)CCC1 ZINC001372001609 896706459 /nfs/dbraw/zinc/70/64/59/896706459.db2.gz YVEJPLOIJJQWDG-UHFFFAOYSA-N 2 1 294.403 -0.190 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001372181169 896740112 /nfs/dbraw/zinc/74/01/12/896740112.db2.gz BHNQLUZHTFNQRU-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001372181169 896740125 /nfs/dbraw/zinc/74/01/25/896740125.db2.gz BHNQLUZHTFNQRU-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CCn1cncn1 ZINC001372181098 896740617 /nfs/dbraw/zinc/74/06/17/896740617.db2.gz ANDUVTDHHHIQKP-ZDUSSCGKSA-N 2 1 294.403 -0.332 20 0 CBADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CCn1cncn1 ZINC001372181098 896740625 /nfs/dbraw/zinc/74/06/25/896740625.db2.gz ANDUVTDHHHIQKP-ZDUSSCGKSA-N 2 1 294.403 -0.332 20 0 CBADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CCn1cncn1 ZINC001372181098 896740636 /nfs/dbraw/zinc/74/06/36/896740636.db2.gz ANDUVTDHHHIQKP-ZDUSSCGKSA-N 2 1 294.403 -0.332 20 0 CBADMP C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CCn1cncn1 ZINC001372181097 896741831 /nfs/dbraw/zinc/74/18/31/896741831.db2.gz ANDUVTDHHHIQKP-CYBMUJFWSA-N 2 1 294.403 -0.332 20 0 CBADMP C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)CCn1cncn1 ZINC001372181097 896741842 /nfs/dbraw/zinc/74/18/42/896741842.db2.gz ANDUVTDHHHIQKP-CYBMUJFWSA-N 2 1 294.403 -0.332 20 0 CBADMP C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CCn1cncn1 ZINC001372181097 896741855 /nfs/dbraw/zinc/74/18/55/896741855.db2.gz ANDUVTDHHHIQKP-CYBMUJFWSA-N 2 1 294.403 -0.332 20 0 CBADMP CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)CC(=O)NC ZINC001372395486 896782395 /nfs/dbraw/zinc/78/23/95/896782395.db2.gz CAJYTEQEDMTMBA-UHFFFAOYSA-N 2 1 284.404 -0.488 20 0 CBADMP CC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CC1)CC(=O)NC ZINC001372395486 896782410 /nfs/dbraw/zinc/78/24/10/896782410.db2.gz CAJYTEQEDMTMBA-UHFFFAOYSA-N 2 1 284.404 -0.488 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001372624336 896825529 /nfs/dbraw/zinc/82/55/29/896825529.db2.gz JHCGETCOPGUVIT-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001372633405 896827538 /nfs/dbraw/zinc/82/75/38/896827538.db2.gz PPJNPAXBIMFKNU-MELADBBJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001372633405 896827552 /nfs/dbraw/zinc/82/75/52/896827552.db2.gz PPJNPAXBIMFKNU-MELADBBJSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001372633405 896827566 /nfs/dbraw/zinc/82/75/66/896827566.db2.gz PPJNPAXBIMFKNU-MELADBBJSA-N 2 1 299.415 -0.474 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001372673712 896836777 /nfs/dbraw/zinc/83/67/77/896836777.db2.gz RIIXVDIYUNEIHO-CYBMUJFWSA-N 2 1 296.415 -0.392 20 0 CBADMP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(N)=O ZINC001372725872 896844833 /nfs/dbraw/zinc/84/48/33/896844833.db2.gz QOOWKAHBOKUSSX-UHFFFAOYSA-N 2 1 284.404 -0.358 20 0 CBADMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(N)=O ZINC001372725872 896844850 /nfs/dbraw/zinc/84/48/50/896844850.db2.gz QOOWKAHBOKUSSX-UHFFFAOYSA-N 2 1 284.404 -0.358 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCN(CC(N)=O)C1CC1 ZINC001372828716 896878076 /nfs/dbraw/zinc/87/80/76/896878076.db2.gz AJFLBPUYAQXKCX-LBPRGKRZSA-N 2 1 282.388 -0.463 20 0 CBADMP CN1CCCC[C@H]1C(=O)NCCN(CC(N)=O)C1CC1 ZINC001372828716 896878091 /nfs/dbraw/zinc/87/80/91/896878091.db2.gz AJFLBPUYAQXKCX-LBPRGKRZSA-N 2 1 282.388 -0.463 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001372842289 896882809 /nfs/dbraw/zinc/88/28/09/896882809.db2.gz OEPLGMZPMUQNAU-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001372842289 896882828 /nfs/dbraw/zinc/88/28/28/896882828.db2.gz OEPLGMZPMUQNAU-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001372842289 896882845 /nfs/dbraw/zinc/88/28/45/896882845.db2.gz OEPLGMZPMUQNAU-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001372842289 896882873 /nfs/dbraw/zinc/88/28/73/896882873.db2.gz OEPLGMZPMUQNAU-DGCLKSJQSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001372940701 896906410 /nfs/dbraw/zinc/90/64/10/896906410.db2.gz ZQRVNZGJLGAANH-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001372938950 896909061 /nfs/dbraw/zinc/90/90/61/896909061.db2.gz IYKQPVHGBNAXKG-JHJVBQTASA-N 2 1 296.415 -0.395 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001372971154 896917279 /nfs/dbraw/zinc/91/72/79/896917279.db2.gz AJARGYXYTSXHHB-LLVKDONJSA-N 2 1 295.387 -0.236 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(N)=O)C1 ZINC001373159560 896948635 /nfs/dbraw/zinc/94/86/35/896948635.db2.gz OWPWTBVDKFIQDO-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373159560 896948649 /nfs/dbraw/zinc/94/86/49/896948649.db2.gz OWPWTBVDKFIQDO-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373159560 896948666 /nfs/dbraw/zinc/94/86/66/896948666.db2.gz OWPWTBVDKFIQDO-RYUDHWBXSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001373157857 896949346 /nfs/dbraw/zinc/94/93/46/896949346.db2.gz WRUGXZBXBKHVMH-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001373157857 896949354 /nfs/dbraw/zinc/94/93/54/896949354.db2.gz WRUGXZBXBKHVMH-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCC[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001373157857 896949363 /nfs/dbraw/zinc/94/93/63/896949363.db2.gz WRUGXZBXBKHVMH-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCC[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001373157857 896949373 /nfs/dbraw/zinc/94/93/73/896949373.db2.gz WRUGXZBXBKHVMH-KGLIPLIRSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001373187538 896949631 /nfs/dbraw/zinc/94/96/31/896949631.db2.gz AFAPFMLDKUZVPI-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001373380469 896991452 /nfs/dbraw/zinc/99/14/52/896991452.db2.gz BRMLZEWONSFEAR-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001373380469 896991458 /nfs/dbraw/zinc/99/14/58/896991458.db2.gz BRMLZEWONSFEAR-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](C(N)=O)N1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001373395082 896995226 /nfs/dbraw/zinc/99/52/26/896995226.db2.gz GNSGUWUFUCKYPB-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](C(N)=O)N1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001373395079 896996199 /nfs/dbraw/zinc/99/61/99/896996199.db2.gz GNSGUWUFUCKYPB-NEPJUHHUSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373531636 897042897 /nfs/dbraw/zinc/04/28/97/897042897.db2.gz JSZLGVCHGXYYCZ-CHWSQXEVSA-N 2 1 298.431 -0.116 20 0 CBADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)COC)[NH+](C)C ZINC001373577764 897058785 /nfs/dbraw/zinc/05/87/85/897058785.db2.gz HXWSTEZJIUOUBU-IGQOVBAYSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)COC)[NH+](C)C ZINC001373577764 897058802 /nfs/dbraw/zinc/05/88/02/897058802.db2.gz HXWSTEZJIUOUBU-IGQOVBAYSA-N 2 1 299.415 -0.381 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001373594029 897066562 /nfs/dbraw/zinc/06/65/62/897066562.db2.gz KBFSPFVTTRATMQ-XQQFMLRXSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[C@H](C(=O)N[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001373594029 897066570 /nfs/dbraw/zinc/06/65/70/897066570.db2.gz KBFSPFVTTRATMQ-XQQFMLRXSA-N 2 1 296.415 -0.252 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001373612807 897068686 /nfs/dbraw/zinc/06/86/86/897068686.db2.gz AAJHKJZVKCYBKU-FRRDWIJNSA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001373612807 897068695 /nfs/dbraw/zinc/06/86/95/897068695.db2.gz AAJHKJZVKCYBKU-FRRDWIJNSA-N 2 1 285.388 -0.864 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001373612807 897068707 /nfs/dbraw/zinc/06/87/07/897068707.db2.gz AAJHKJZVKCYBKU-FRRDWIJNSA-N 2 1 285.388 -0.864 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC001373646415 897087962 /nfs/dbraw/zinc/08/79/62/897087962.db2.gz JTOPARPGUHBYGQ-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC001373646415 897087972 /nfs/dbraw/zinc/08/79/72/897087972.db2.gz JTOPARPGUHBYGQ-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001373646415 897087978 /nfs/dbraw/zinc/08/79/78/897087978.db2.gz JTOPARPGUHBYGQ-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001373646415 897087987 /nfs/dbraw/zinc/08/79/87/897087987.db2.gz JTOPARPGUHBYGQ-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001373652356 897089295 /nfs/dbraw/zinc/08/92/95/897089295.db2.gz XTVNUPKSPYDHJR-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001373652356 897089310 /nfs/dbraw/zinc/08/93/10/897089310.db2.gz XTVNUPKSPYDHJR-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001373660051 897090606 /nfs/dbraw/zinc/09/06/06/897090606.db2.gz ILDWNPMVFPKXST-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001373784321 897124201 /nfs/dbraw/zinc/12/42/01/897124201.db2.gz ZNJIJZUOBFGTQR-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H]([NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCC1)C(N)=O ZINC001373842450 897129535 /nfs/dbraw/zinc/12/95/35/897129535.db2.gz LILPNNSILHPXKS-RYUDHWBXSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@@H]([NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1)C(N)=O ZINC001373842452 897130542 /nfs/dbraw/zinc/13/05/42/897130542.db2.gz LILPNNSILHPXKS-VXGBXAGGSA-N 2 1 296.415 -0.027 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1 ZINC001373861987 897132902 /nfs/dbraw/zinc/13/29/02/897132902.db2.gz QKOAWKDXLXIXHA-GFCCVEGCSA-N 2 1 296.415 -0.168 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374310937 897212431 /nfs/dbraw/zinc/21/24/31/897212431.db2.gz FRHJHJNUCNMNIJ-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ncnn1C ZINC001374430447 897223109 /nfs/dbraw/zinc/22/31/09/897223109.db2.gz CTJFTYFCFQYXDD-GFCCVEGCSA-N 2 1 296.419 -0.003 20 0 CBADMP CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001374442706 897228856 /nfs/dbraw/zinc/22/88/56/897228856.db2.gz FILWXWCIUMVFFN-VXGBXAGGSA-N 2 1 284.404 -0.456 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)C(C)C ZINC001374456807 897229324 /nfs/dbraw/zinc/22/93/24/897229324.db2.gz WJBGNZRIUNESFO-GFCCVEGCSA-N 2 1 286.420 -0.197 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)C[NH+](C)C1CCC1 ZINC001374500020 897239036 /nfs/dbraw/zinc/23/90/36/897239036.db2.gz RHVFZLQUUYVRQJ-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)C[NH+](C)C1CCC1 ZINC001374500020 897239050 /nfs/dbraw/zinc/23/90/50/897239050.db2.gz RHVFZLQUUYVRQJ-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)C[N@H+](C)C1CCC1 ZINC001374500020 897239060 /nfs/dbraw/zinc/23/90/60/897239060.db2.gz RHVFZLQUUYVRQJ-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001374500020 897239075 /nfs/dbraw/zinc/23/90/75/897239075.db2.gz RHVFZLQUUYVRQJ-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001374519498 897248546 /nfs/dbraw/zinc/24/85/46/897248546.db2.gz GLJMCOYQBUPXOW-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374519498 897248559 /nfs/dbraw/zinc/24/85/59/897248559.db2.gz GLJMCOYQBUPXOW-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001374519498 897248573 /nfs/dbraw/zinc/24/85/73/897248573.db2.gz GLJMCOYQBUPXOW-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCC2)C1 ZINC001374586021 897284390 /nfs/dbraw/zinc/28/43/90/897284390.db2.gz FDTFUZNAQHCJEL-STQMWFEESA-N 2 1 285.388 -0.816 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCC2)C1 ZINC001374586021 897284413 /nfs/dbraw/zinc/28/44/13/897284413.db2.gz FDTFUZNAQHCJEL-STQMWFEESA-N 2 1 285.388 -0.816 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001374610194 897307047 /nfs/dbraw/zinc/30/70/47/897307047.db2.gz YWRQEJZAMBGNAR-ZDUSSCGKSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001374610194 897307060 /nfs/dbraw/zinc/30/70/60/897307060.db2.gz YWRQEJZAMBGNAR-ZDUSSCGKSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001374610194 897307074 /nfs/dbraw/zinc/30/70/74/897307074.db2.gz YWRQEJZAMBGNAR-ZDUSSCGKSA-N 2 1 296.415 -0.252 20 0 CBADMP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)co1 ZINC001374679039 897343778 /nfs/dbraw/zinc/34/37/78/897343778.db2.gz WDMMHXVQGQAISV-YPMHNXCESA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)co1 ZINC001374679039 897343792 /nfs/dbraw/zinc/34/37/92/897343792.db2.gz WDMMHXVQGQAISV-YPMHNXCESA-N 2 1 296.371 -0.499 20 0 CBADMP CC[C@H]([NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001374709377 897355000 /nfs/dbraw/zinc/35/50/00/897355000.db2.gz HTGCSGIHLFYKNZ-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001374739006 897365101 /nfs/dbraw/zinc/36/51/01/897365101.db2.gz UDHIZCWVAHASRD-WOPDTQHZSA-N 2 1 273.377 -0.818 20 0 CBADMP C[NH+](C)CCCC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001374749924 897369743 /nfs/dbraw/zinc/36/97/43/897369743.db2.gz ARBAQKWQKORDND-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374833449 897406313 /nfs/dbraw/zinc/40/63/13/897406313.db2.gz NXQHPMXLMGZOSS-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001374839273 897407250 /nfs/dbraw/zinc/40/72/50/897407250.db2.gz DYXOKRZLVZYEGB-IPYPFGDCSA-N 2 1 299.415 -0.426 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374833450 897408225 /nfs/dbraw/zinc/40/82/25/897408225.db2.gz NXQHPMXLMGZOSS-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001374890262 897424625 /nfs/dbraw/zinc/42/46/25/897424625.db2.gz SCDRTFAFRBBZTM-WDEREUQCSA-N 2 1 295.387 -0.024 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374961926 897443984 /nfs/dbraw/zinc/44/39/84/897443984.db2.gz NXQHPMXLMGZOSS-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001375098169 897476375 /nfs/dbraw/zinc/47/63/75/897476375.db2.gz ILCOBMBXXYHKPB-WDEREUQCSA-N 2 1 272.393 -0.491 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001375098169 897476387 /nfs/dbraw/zinc/47/63/87/897476387.db2.gz ILCOBMBXXYHKPB-WDEREUQCSA-N 2 1 272.393 -0.491 20 0 CBADMP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001375136705 897482317 /nfs/dbraw/zinc/48/23/17/897482317.db2.gz NTIWMQXOJWXAHG-QWRGUYRKSA-N 2 1 272.393 -0.491 20 0 CBADMP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001375136705 897482325 /nfs/dbraw/zinc/48/23/25/897482325.db2.gz NTIWMQXOJWXAHG-QWRGUYRKSA-N 2 1 272.393 -0.491 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001375557703 897567515 /nfs/dbraw/zinc/56/75/15/897567515.db2.gz BSLCFOAPIINQFP-JOCQHMNTSA-N 2 1 298.431 -0.053 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001375637766 897577795 /nfs/dbraw/zinc/57/77/95/897577795.db2.gz XEYFHDGCUSDPMD-KBPBESRZSA-N 2 1 299.415 -0.642 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001375637769 897578358 /nfs/dbraw/zinc/57/83/58/897578358.db2.gz XEYFHDGCUSDPMD-ZIAGYGMSSA-N 2 1 299.415 -0.642 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001375761844 897603905 /nfs/dbraw/zinc/60/39/05/897603905.db2.gz ITTXATNXZLSSHM-STQMWFEESA-N 2 1 296.415 -0.203 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001375763604 897604346 /nfs/dbraw/zinc/60/43/46/897604346.db2.gz SXJHJUYTWBNZDZ-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001375769269 897607081 /nfs/dbraw/zinc/60/70/81/897607081.db2.gz XPRSKYWHJNPCKI-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001375838350 897615338 /nfs/dbraw/zinc/61/53/38/897615338.db2.gz PQKCRXAGUUOPFD-FZMZJTMJSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001375838350 897615344 /nfs/dbraw/zinc/61/53/44/897615344.db2.gz PQKCRXAGUUOPFD-FZMZJTMJSA-N 2 1 284.404 -0.217 20 0 CBADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001376053591 897641753 /nfs/dbraw/zinc/64/17/53/897641753.db2.gz NLHKSGSFIBIIGN-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001376053591 897641766 /nfs/dbraw/zinc/64/17/66/897641766.db2.gz NLHKSGSFIBIIGN-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001376053591 897641771 /nfs/dbraw/zinc/64/17/71/897641771.db2.gz NLHKSGSFIBIIGN-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(CC(=O)NC2CC2)C1 ZINC001376157336 897677166 /nfs/dbraw/zinc/67/71/66/897677166.db2.gz XZVIHPXXVKFQAS-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001376238742 897694116 /nfs/dbraw/zinc/69/41/16/897694116.db2.gz HBVHJCMHCXSYLG-QWHCGFSZSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001376331503 897712448 /nfs/dbraw/zinc/71/24/48/897712448.db2.gz OJWVAXVFYJOHAJ-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376334916 897712845 /nfs/dbraw/zinc/71/28/45/897712845.db2.gz BFIHCTXDWLXBGL-OLZOCXBDSA-N 2 1 296.415 -0.393 20 0 CBADMP Cn1ncc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001376400676 897725796 /nfs/dbraw/zinc/72/57/96/897725796.db2.gz QLQAVZBIFSDSAN-NSHDSACASA-N 2 1 280.376 -0.543 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001376398946 897725999 /nfs/dbraw/zinc/72/59/99/897725999.db2.gz HIEIEDHTZZFBBW-HAQNSBGRSA-N 2 1 284.404 -0.347 20 0 CBADMP 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 897747473 /nfs/dbraw/zinc/74/74/73/897747473.db2.gz MXHOTVISAVLMQR-FVCCEPFGSA-N 2 1 296.415 -0.348 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@]1(CO)CCC[NH+](CCO)C1 ZINC001376503139 897760122 /nfs/dbraw/zinc/76/01/22/897760122.db2.gz TWLXLABYMXYEKF-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001376503139 897760133 /nfs/dbraw/zinc/76/01/33/897760133.db2.gz TWLXLABYMXYEKF-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001376503139 897760148 /nfs/dbraw/zinc/76/01/48/897760148.db2.gz TWLXLABYMXYEKF-CQSZACIVSA-N 2 1 287.404 -0.736 20 0 CBADMP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001376631320 897786903 /nfs/dbraw/zinc/78/69/03/897786903.db2.gz WCOLXCGPWWEFKR-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001376735101 897828630 /nfs/dbraw/zinc/82/86/30/897828630.db2.gz XEZAPWOJOGCASO-JHJVBQTASA-N 2 1 298.431 -0.055 20 0 CBADMP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1nncn1C ZINC001376795333 897848201 /nfs/dbraw/zinc/84/82/01/897848201.db2.gz AWOXYWQLAFYLJQ-LLVKDONJSA-N 2 1 282.392 -0.249 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001376798718 897848393 /nfs/dbraw/zinc/84/83/93/897848393.db2.gz HSLOLGSHORKODY-NSHDSACASA-N 2 1 286.420 -0.195 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001376871099 897875500 /nfs/dbraw/zinc/87/55/00/897875500.db2.gz YHTIDESYZOZSJZ-ZYHUDNBSSA-N 2 1 293.371 -0.483 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001376899275 897884383 /nfs/dbraw/zinc/88/43/83/897884383.db2.gz ILJNFAVNOOHQRS-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001376913264 897890690 /nfs/dbraw/zinc/89/06/90/897890690.db2.gz ZUXAPYJEVXOHNQ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001376913264 897890695 /nfs/dbraw/zinc/89/06/95/897890695.db2.gz ZUXAPYJEVXOHNQ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001376913264 897890699 /nfs/dbraw/zinc/89/06/99/897890699.db2.gz ZUXAPYJEVXOHNQ-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001376913266 897891544 /nfs/dbraw/zinc/89/15/44/897891544.db2.gz ZUXAPYJEVXOHNQ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001376913266 897891557 /nfs/dbraw/zinc/89/15/57/897891557.db2.gz ZUXAPYJEVXOHNQ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001376913266 897891558 /nfs/dbraw/zinc/89/15/58/897891558.db2.gz ZUXAPYJEVXOHNQ-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001376941545 897897961 /nfs/dbraw/zinc/89/79/61/897897961.db2.gz WGGBLXXXPYGSAL-FRRDWIJNSA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001376941545 897897972 /nfs/dbraw/zinc/89/79/72/897897972.db2.gz WGGBLXXXPYGSAL-FRRDWIJNSA-N 2 1 298.431 -0.019 20 0 CBADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001376941545 897897984 /nfs/dbraw/zinc/89/79/84/897897984.db2.gz WGGBLXXXPYGSAL-FRRDWIJNSA-N 2 1 298.431 -0.019 20 0 CBADMP CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CCC[NH+]1C ZINC001376967369 897904873 /nfs/dbraw/zinc/90/48/73/897904873.db2.gz SJRFEPAQSJFIFL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001376967369 897904883 /nfs/dbraw/zinc/90/48/83/897904883.db2.gz SJRFEPAQSJFIFL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001376967369 897904891 /nfs/dbraw/zinc/90/48/91/897904891.db2.gz SJRFEPAQSJFIFL-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001377017319 897914008 /nfs/dbraw/zinc/91/40/08/897914008.db2.gz IWEKGEYAENNJQV-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377017319 897914013 /nfs/dbraw/zinc/91/40/13/897914013.db2.gz IWEKGEYAENNJQV-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CCC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377017319 897914021 /nfs/dbraw/zinc/91/40/21/897914021.db2.gz IWEKGEYAENNJQV-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001377019074 897914644 /nfs/dbraw/zinc/91/46/44/897914644.db2.gz MPTSVTZSHQYOND-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001377159750 897957155 /nfs/dbraw/zinc/95/71/55/897957155.db2.gz HGQXCILUJTVZJJ-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001377159750 897957167 /nfs/dbraw/zinc/95/71/67/897957167.db2.gz HGQXCILUJTVZJJ-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)[C@H]2CCCNC2=O)CC[NH+]1C ZINC001377159750 897957170 /nfs/dbraw/zinc/95/71/70/897957170.db2.gz HGQXCILUJTVZJJ-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)[C@H]2CCCNC2=O)CC[NH+]1C ZINC001377159750 897957178 /nfs/dbraw/zinc/95/71/78/897957178.db2.gz HGQXCILUJTVZJJ-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@H]1CCCN(C)C1=O)[NH+](C)C ZINC001377222396 897973766 /nfs/dbraw/zinc/97/37/66/897973766.db2.gz NNSBOXKSXYKFCN-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@H]1CCCN(C)C1=O)[NH+](C)C ZINC001377222396 897973771 /nfs/dbraw/zinc/97/37/71/897973771.db2.gz NNSBOXKSXYKFCN-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001377235213 897978830 /nfs/dbraw/zinc/97/88/30/897978830.db2.gz AHMIECHBSGMKOT-YNEHKIRRSA-N 2 1 296.415 -0.204 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001377260132 897990094 /nfs/dbraw/zinc/99/00/94/897990094.db2.gz HYHWPLHJMINSEY-QWRGUYRKSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001377260132 897990097 /nfs/dbraw/zinc/99/00/97/897990097.db2.gz HYHWPLHJMINSEY-QWRGUYRKSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001377260132 897990100 /nfs/dbraw/zinc/99/01/00/897990100.db2.gz HYHWPLHJMINSEY-QWRGUYRKSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377260132 897990105 /nfs/dbraw/zinc/99/01/05/897990105.db2.gz HYHWPLHJMINSEY-QWRGUYRKSA-N 2 1 270.377 -0.879 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)[C@@H](C)C1 ZINC001377266631 897993464 /nfs/dbraw/zinc/99/34/64/897993464.db2.gz OFKINYBFBZGSMC-STQMWFEESA-N 2 1 298.431 -0.149 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CCC[NH+](C)C ZINC001377277903 897995853 /nfs/dbraw/zinc/99/58/53/897995853.db2.gz JFROTESLBHCSLI-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCCNC1=O ZINC001377277967 897997002 /nfs/dbraw/zinc/99/70/02/897997002.db2.gz VFODTNRYPWGFOH-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCCNC1=O ZINC001377277967 897997009 /nfs/dbraw/zinc/99/70/09/897997009.db2.gz VFODTNRYPWGFOH-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)[C@H]1CCCNC1=O ZINC001377277967 897997015 /nfs/dbraw/zinc/99/70/15/897997015.db2.gz VFODTNRYPWGFOH-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001377277967 897997020 /nfs/dbraw/zinc/99/70/20/897997020.db2.gz VFODTNRYPWGFOH-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001377281706 897997136 /nfs/dbraw/zinc/99/71/36/897997136.db2.gz TZCHSSKGOFXQCR-WCQYABFASA-N 2 1 294.403 -0.297 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC001377340801 898013469 /nfs/dbraw/zinc/01/34/69/898013469.db2.gz HQSPRUOLMJVECO-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC001377340801 898013482 /nfs/dbraw/zinc/01/34/82/898013482.db2.gz HQSPRUOLMJVECO-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCNC1=O ZINC001377340801 898013499 /nfs/dbraw/zinc/01/34/99/898013499.db2.gz HQSPRUOLMJVECO-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@H+](CCNC(=O)CC[NH+](C)C)[C@H](C)C(=O)N(C)C ZINC001377336455 898015240 /nfs/dbraw/zinc/01/52/40/898015240.db2.gz HEDRAQNFLPLBLZ-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)[C@H](C)C(=O)N(C)C ZINC001377336455 898015249 /nfs/dbraw/zinc/01/52/49/898015249.db2.gz HEDRAQNFLPLBLZ-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CC(N)=O ZINC001377337348 898017383 /nfs/dbraw/zinc/01/73/83/898017383.db2.gz PVGGMFZCIMHPKL-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CC(N)=O ZINC001377337348 898017399 /nfs/dbraw/zinc/01/73/99/898017399.db2.gz PVGGMFZCIMHPKL-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)CC(N)=O ZINC001377337348 898017416 /nfs/dbraw/zinc/01/74/16/898017416.db2.gz PVGGMFZCIMHPKL-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)CC(N)=O ZINC001377337348 898017436 /nfs/dbraw/zinc/01/74/36/898017436.db2.gz PVGGMFZCIMHPKL-NSHDSACASA-N 2 1 270.377 -0.748 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)CCOC ZINC001377368675 898025206 /nfs/dbraw/zinc/02/52/06/898025206.db2.gz RPBBNHISUJAWEM-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)CCOC ZINC001377368675 898025217 /nfs/dbraw/zinc/02/52/17/898025217.db2.gz RPBBNHISUJAWEM-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)CCOC ZINC001377368675 898025184 /nfs/dbraw/zinc/02/51/84/898025184.db2.gz RPBBNHISUJAWEM-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)CCOC ZINC001377368675 898025192 /nfs/dbraw/zinc/02/51/92/898025192.db2.gz RPBBNHISUJAWEM-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H](C)C1 ZINC001377376632 898025317 /nfs/dbraw/zinc/02/53/17/898025317.db2.gz FOZKYKBPZKOBFB-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H](C)C1 ZINC001377376632 898025332 /nfs/dbraw/zinc/02/53/32/898025332.db2.gz FOZKYKBPZKOBFB-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC001377376632 898025349 /nfs/dbraw/zinc/02/53/49/898025349.db2.gz FOZKYKBPZKOBFB-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC001377376632 898025357 /nfs/dbraw/zinc/02/53/57/898025357.db2.gz FOZKYKBPZKOBFB-RYUDHWBXSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC ZINC001377366736 898027532 /nfs/dbraw/zinc/02/75/32/898027532.db2.gz UHDUNEWAKKGLET-NSHDSACASA-N 2 1 270.377 -0.878 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC ZINC001377366736 898027547 /nfs/dbraw/zinc/02/75/47/898027547.db2.gz UHDUNEWAKKGLET-NSHDSACASA-N 2 1 270.377 -0.878 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NC ZINC001377366736 898027562 /nfs/dbraw/zinc/02/75/62/898027562.db2.gz UHDUNEWAKKGLET-NSHDSACASA-N 2 1 270.377 -0.878 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NC ZINC001377366736 898027572 /nfs/dbraw/zinc/02/75/72/898027572.db2.gz UHDUNEWAKKGLET-NSHDSACASA-N 2 1 270.377 -0.878 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001377465350 898056838 /nfs/dbraw/zinc/05/68/38/898056838.db2.gz BLNRGHJMZOZMNK-JQWIXIFHSA-N 2 1 295.387 -0.190 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001377555760 898083741 /nfs/dbraw/zinc/08/37/41/898083741.db2.gz WDFJKHUZGDDUFJ-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001377555760 898083751 /nfs/dbraw/zinc/08/37/51/898083751.db2.gz WDFJKHUZGDDUFJ-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001377555760 898083757 /nfs/dbraw/zinc/08/37/57/898083757.db2.gz WDFJKHUZGDDUFJ-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001377555760 898083766 /nfs/dbraw/zinc/08/37/66/898083766.db2.gz WDFJKHUZGDDUFJ-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O ZINC001377589833 898096181 /nfs/dbraw/zinc/09/61/81/898096181.db2.gz CIWXYKSLZNGESV-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001377599723 898102805 /nfs/dbraw/zinc/10/28/05/898102805.db2.gz HLJOTAJITBKPEF-NSHDSACASA-N 2 1 272.393 -0.491 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O ZINC001377652019 898110863 /nfs/dbraw/zinc/11/08/63/898110863.db2.gz FUZNLPHLNNXWCG-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O ZINC001377652019 898110874 /nfs/dbraw/zinc/11/08/74/898110874.db2.gz FUZNLPHLNNXWCG-LBPRGKRZSA-N 2 1 284.404 -0.264 20 0 CBADMP COCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001377680438 898113734 /nfs/dbraw/zinc/11/37/34/898113734.db2.gz WLNVSQYKISMMBJ-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001377680438 898113744 /nfs/dbraw/zinc/11/37/44/898113744.db2.gz WLNVSQYKISMMBJ-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001377680438 898113750 /nfs/dbraw/zinc/11/37/50/898113750.db2.gz WLNVSQYKISMMBJ-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP COCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001377680438 898113755 /nfs/dbraw/zinc/11/37/55/898113755.db2.gz WLNVSQYKISMMBJ-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001377720894 898121587 /nfs/dbraw/zinc/12/15/87/898121587.db2.gz NUYYLOCQHBTICL-GFCCVEGCSA-N 2 1 282.388 -0.604 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C[N@H+](C)CCO)C1 ZINC001377762288 898133280 /nfs/dbraw/zinc/13/32/80/898133280.db2.gz JOPHDMUTRRYMRB-CYBMUJFWSA-N 2 1 280.372 -0.036 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001377762288 898133284 /nfs/dbraw/zinc/13/32/84/898133284.db2.gz JOPHDMUTRRYMRB-CYBMUJFWSA-N 2 1 280.372 -0.036 20 0 CBADMP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001377911978 898169494 /nfs/dbraw/zinc/16/94/94/898169494.db2.gz ORHNFJLBBSYZTB-WDEREUQCSA-N 2 1 295.391 -0.711 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001377992532 898187378 /nfs/dbraw/zinc/18/73/78/898187378.db2.gz KOIJVFXUGRFNMM-DGCLKSJQSA-N 2 1 298.431 -0.245 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001378062107 898218558 /nfs/dbraw/zinc/21/85/58/898218558.db2.gz FBXWNJVZOXRZRF-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001378062107 898218576 /nfs/dbraw/zinc/21/85/76/898218576.db2.gz FBXWNJVZOXRZRF-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001378062107 898218593 /nfs/dbraw/zinc/21/85/93/898218593.db2.gz FBXWNJVZOXRZRF-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001378062107 898218604 /nfs/dbraw/zinc/21/86/04/898218604.db2.gz FBXWNJVZOXRZRF-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001378074784 898223547 /nfs/dbraw/zinc/22/35/47/898223547.db2.gz NKBJCGLTBZFSML-LBPRGKRZSA-N 2 1 285.388 -0.720 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](CC)C(N)=O)C1 ZINC001378076776 898229063 /nfs/dbraw/zinc/22/90/63/898229063.db2.gz DFOMQLPNLKVXOS-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](CC)C(N)=O)C1 ZINC001378076776 898229078 /nfs/dbraw/zinc/22/90/78/898229078.db2.gz DFOMQLPNLKVXOS-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@H](CC)C(N)=O)C1 ZINC001378076776 898229092 /nfs/dbraw/zinc/22/90/92/898229092.db2.gz DFOMQLPNLKVXOS-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@H](CC)C(N)=O)C1 ZINC001378076776 898229105 /nfs/dbraw/zinc/22/91/05/898229105.db2.gz DFOMQLPNLKVXOS-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CO[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001378128033 898246763 /nfs/dbraw/zinc/24/67/63/898246763.db2.gz XZCNJHQCZFTRRG-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CO[C@H](C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001378128033 898246779 /nfs/dbraw/zinc/24/67/79/898246779.db2.gz XZCNJHQCZFTRRG-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001378178270 898263583 /nfs/dbraw/zinc/26/35/83/898263583.db2.gz ABEPBWQFRCUMMW-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001378178270 898263600 /nfs/dbraw/zinc/26/36/00/898263600.db2.gz ABEPBWQFRCUMMW-NSHDSACASA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001378218375 898281360 /nfs/dbraw/zinc/28/13/60/898281360.db2.gz FYKFSLWETQVLQZ-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC ZINC001378241172 898286276 /nfs/dbraw/zinc/28/62/76/898286276.db2.gz FPXHUKKBSGVEOB-MNOVXSKESA-N 2 1 270.377 -0.689 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001378291366 898305736 /nfs/dbraw/zinc/30/57/36/898305736.db2.gz ALECAXUGVMXXEG-QWHCGFSZSA-N 2 1 294.403 -0.143 20 0 CBADMP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ncnn1C ZINC001378329725 898316589 /nfs/dbraw/zinc/31/65/89/898316589.db2.gz CJWKZIGCQJWVJK-LBPRGKRZSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001378347320 898321875 /nfs/dbraw/zinc/32/18/75/898321875.db2.gz UOPNILUZHQEDTB-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ncnn1C ZINC001378347320 898321887 /nfs/dbraw/zinc/32/18/87/898321887.db2.gz UOPNILUZHQEDTB-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H]1[C@H](C(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)CC[N@H+]1C ZINC001378394269 898330385 /nfs/dbraw/zinc/33/03/85/898330385.db2.gz CJGCWGZNRWLEEU-IXPVHAAZSA-N 2 1 296.415 -0.314 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001378502082 898336585 /nfs/dbraw/zinc/33/65/85/898336585.db2.gz VVLQQMVGSNKOPM-AWEZNQCLSA-N 2 1 293.371 -0.449 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001378512309 898342087 /nfs/dbraw/zinc/34/20/87/898342087.db2.gz MMKBOWOFMIGPPW-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cn(C)nn1 ZINC001378595899 898364048 /nfs/dbraw/zinc/36/40/48/898364048.db2.gz ZVKRVZVRDYDGEG-DGCLKSJQSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]CC(N)=O ZINC001378609843 898365601 /nfs/dbraw/zinc/36/56/01/898365601.db2.gz CRGZPMCRLGMWNJ-MNOVXSKESA-N 2 1 270.377 -0.845 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]CC(N)=O ZINC001378609848 898367646 /nfs/dbraw/zinc/36/76/46/898367646.db2.gz CRGZPMCRLGMWNJ-WDEREUQCSA-N 2 1 270.377 -0.845 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[N@@H+]([C@H]2CCNC2=O)CC1(C)C ZINC001378651964 898383353 /nfs/dbraw/zinc/38/33/53/898383353.db2.gz JCJLDSYTRBXQJF-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[N@H+]([C@H]2CCNC2=O)CC1(C)C ZINC001378651964 898383365 /nfs/dbraw/zinc/38/33/65/898383365.db2.gz JCJLDSYTRBXQJF-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001378758886 898405968 /nfs/dbraw/zinc/40/59/68/898405968.db2.gz QEGOPHGECWOMDI-RYUDHWBXSA-N 2 1 294.403 -0.154 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001378758886 898405973 /nfs/dbraw/zinc/40/59/73/898405973.db2.gz QEGOPHGECWOMDI-RYUDHWBXSA-N 2 1 294.403 -0.154 20 0 CBADMP COC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001378828204 898420949 /nfs/dbraw/zinc/42/09/49/898420949.db2.gz IOBIJBXVUZXJSN-XUXIUFHCSA-N 2 1 299.415 -0.164 20 0 CBADMP COC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001378828204 898420960 /nfs/dbraw/zinc/42/09/60/898420960.db2.gz IOBIJBXVUZXJSN-XUXIUFHCSA-N 2 1 299.415 -0.164 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001378844745 898422965 /nfs/dbraw/zinc/42/29/65/898422965.db2.gz QPCBJPUSBJVZGH-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001378906740 898431598 /nfs/dbraw/zinc/43/15/98/898431598.db2.gz WHZCPLYTBGSAMQ-LLVKDONJSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001379091486 898462644 /nfs/dbraw/zinc/46/26/44/898462644.db2.gz WCYCZIFKSOOLJT-GFCCVEGCSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001379091486 898462649 /nfs/dbraw/zinc/46/26/49/898462649.db2.gz WCYCZIFKSOOLJT-GFCCVEGCSA-N 2 1 298.431 -0.018 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CCN(C)CC(=O)N(C)C ZINC001379125192 898469899 /nfs/dbraw/zinc/46/98/99/898469899.db2.gz FMOHVIAAHAGRLB-UHFFFAOYSA-N 2 1 286.420 -0.193 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CC(N)=O)C1 ZINC001379148696 898472927 /nfs/dbraw/zinc/47/29/27/898472927.db2.gz JOCLONGEUTUVTE-STQMWFEESA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(N)=O)C1 ZINC001379148696 898472933 /nfs/dbraw/zinc/47/29/33/898472933.db2.gz JOCLONGEUTUVTE-STQMWFEESA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(N)=O)C1 ZINC001379148696 898472940 /nfs/dbraw/zinc/47/29/40/898472940.db2.gz JOCLONGEUTUVTE-STQMWFEESA-N 2 1 296.415 -0.265 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001379134763 898472971 /nfs/dbraw/zinc/47/29/71/898472971.db2.gz UUCQYVPSXUPVMP-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001379134763 898472976 /nfs/dbraw/zinc/47/29/76/898472976.db2.gz UUCQYVPSXUPVMP-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379134763 898472981 /nfs/dbraw/zinc/47/29/81/898472981.db2.gz UUCQYVPSXUPVMP-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379134763 898472988 /nfs/dbraw/zinc/47/29/88/898472988.db2.gz UUCQYVPSXUPVMP-NWDGAFQWSA-N 2 1 284.404 -0.537 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1cscn1 ZINC001379238311 898518553 /nfs/dbraw/zinc/51/85/53/898518553.db2.gz CZVZSPAINNPJTK-LLVKDONJSA-N 2 1 286.401 -0.339 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001379263901 898529383 /nfs/dbraw/zinc/52/93/83/898529383.db2.gz GKDSZBJNRAWKIZ-NSHDSACASA-N 2 1 297.407 -0.512 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001379263901 898529394 /nfs/dbraw/zinc/52/93/94/898529394.db2.gz GKDSZBJNRAWKIZ-NSHDSACASA-N 2 1 297.407 -0.512 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001379285152 898535792 /nfs/dbraw/zinc/53/57/92/898535792.db2.gz NSXOHESBRNSZGP-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001379332390 898556930 /nfs/dbraw/zinc/55/69/30/898556930.db2.gz ZXSVKZKVAWHDJO-NXEZZACHSA-N 2 1 281.360 -0.498 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cncs1 ZINC001379369208 898582956 /nfs/dbraw/zinc/58/29/56/898582956.db2.gz JBDFTFFFXHEGPL-ZYHUDNBSSA-N 2 1 298.412 -0.196 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cncs1 ZINC001379369205 898584484 /nfs/dbraw/zinc/58/44/84/898584484.db2.gz JBDFTFFFXHEGPL-PWSUYJOCSA-N 2 1 298.412 -0.196 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cncs1 ZINC001379369202 898585884 /nfs/dbraw/zinc/58/58/84/898585884.db2.gz JBDFTFFFXHEGPL-JQWIXIFHSA-N 2 1 298.412 -0.196 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001379414684 898608571 /nfs/dbraw/zinc/60/85/71/898608571.db2.gz GJMUKFFTSLZFFY-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001379414684 898608576 /nfs/dbraw/zinc/60/85/76/898608576.db2.gz GJMUKFFTSLZFFY-VXGBXAGGSA-N 2 1 294.403 -0.249 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccccn1 ZINC001379466589 898625543 /nfs/dbraw/zinc/62/55/43/898625543.db2.gz OVXQDDFFPDCYCD-ZIAGYGMSSA-N 2 1 292.383 -0.258 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccccn1 ZINC001379466589 898625551 /nfs/dbraw/zinc/62/55/51/898625551.db2.gz OVXQDDFFPDCYCD-ZIAGYGMSSA-N 2 1 292.383 -0.258 20 0 CBADMP C[C@@H]([NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001379514082 898651819 /nfs/dbraw/zinc/65/18/19/898651819.db2.gz DEVZRRQAFUHEAV-VHSXEESVSA-N 2 1 270.377 -0.561 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCC2)C1 ZINC001379528522 898656648 /nfs/dbraw/zinc/65/66/48/898656648.db2.gz YDVKNTJKOZGQFC-KBPBESRZSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCC2)C1 ZINC001379528522 898656656 /nfs/dbraw/zinc/65/66/56/898656656.db2.gz YDVKNTJKOZGQFC-KBPBESRZSA-N 2 1 299.415 -0.426 20 0 CBADMP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C)c1nnnn1C ZINC001379530688 898656931 /nfs/dbraw/zinc/65/69/31/898656931.db2.gz GCOHLDSWADGTCG-HBNTYKKESA-N 2 1 295.391 -0.540 20 0 CBADMP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C)c1nnnn1C ZINC001379530688 898656936 /nfs/dbraw/zinc/65/69/36/898656936.db2.gz GCOHLDSWADGTCG-HBNTYKKESA-N 2 1 295.391 -0.540 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@H]1C ZINC001379565503 898668018 /nfs/dbraw/zinc/66/80/18/898668018.db2.gz GEESQMIWQZQEEB-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CC(N)=O ZINC001379653354 898693618 /nfs/dbraw/zinc/69/36/18/898693618.db2.gz IOKGYOPPAJDGDM-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1CC(N)=O ZINC001379653354 898693620 /nfs/dbraw/zinc/69/36/20/898693620.db2.gz IOKGYOPPAJDGDM-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001379684612 898698859 /nfs/dbraw/zinc/69/88/59/898698859.db2.gz VHGXNYQDXVREMF-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001379684612 898698866 /nfs/dbraw/zinc/69/88/66/898698866.db2.gz VHGXNYQDXVREMF-LBPRGKRZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)CC(=O)N(C)C ZINC001379770333 898723944 /nfs/dbraw/zinc/72/39/44/898723944.db2.gz OPGVSCNYIMQADW-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)CC(=O)N(C)C ZINC001379770333 898723946 /nfs/dbraw/zinc/72/39/46/898723946.db2.gz OPGVSCNYIMQADW-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)CC(=O)N(C)C ZINC001379770333 898723949 /nfs/dbraw/zinc/72/39/49/898723949.db2.gz OPGVSCNYIMQADW-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001379770333 898723950 /nfs/dbraw/zinc/72/39/50/898723950.db2.gz OPGVSCNYIMQADW-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001379770333 898723952 /nfs/dbraw/zinc/72/39/52/898723952.db2.gz OPGVSCNYIMQADW-LBPRGKRZSA-N 2 1 286.420 -0.147 20 0 CBADMP COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001379782255 898726823 /nfs/dbraw/zinc/72/68/23/898726823.db2.gz LCHNXDIPPKCWDQ-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001379874702 898750081 /nfs/dbraw/zinc/75/00/81/898750081.db2.gz CAUWWENSJPVXFU-LLVKDONJSA-N 2 1 279.344 -0.839 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001379938102 898763010 /nfs/dbraw/zinc/76/30/10/898763010.db2.gz NTDHCQDVKZEFRH-NSHDSACASA-N 2 1 279.344 -0.839 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2cnnn2C)CC1 ZINC001380158346 898825666 /nfs/dbraw/zinc/82/56/66/898825666.db2.gz BSJLACFGNDTKBE-UHFFFAOYSA-N 2 1 294.403 -0.105 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001380276166 898848728 /nfs/dbraw/zinc/84/87/28/898848728.db2.gz YZMQERPUSJICMC-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380375440 898870183 /nfs/dbraw/zinc/87/01/83/898870183.db2.gz JICLSXRFLGFEKR-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CC(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001380526357 898888675 /nfs/dbraw/zinc/88/86/75/898888675.db2.gz KKKWAHDUZYXEIL-DZGCQCFKSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001380526357 898888686 /nfs/dbraw/zinc/88/86/86/898888686.db2.gz KKKWAHDUZYXEIL-DZGCQCFKSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001380526357 898888689 /nfs/dbraw/zinc/88/86/89/898888689.db2.gz KKKWAHDUZYXEIL-DZGCQCFKSA-N 2 1 299.415 -0.474 20 0 CBADMP CC(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001380526357 898888696 /nfs/dbraw/zinc/88/86/96/898888696.db2.gz KKKWAHDUZYXEIL-DZGCQCFKSA-N 2 1 299.415 -0.474 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001380557639 898898602 /nfs/dbraw/zinc/89/86/02/898898602.db2.gz VLHVOVKBFUSCHV-HNNXBMFYSA-N 2 1 299.415 -0.472 20 0 CBADMP COC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380552924 898900842 /nfs/dbraw/zinc/90/08/42/898900842.db2.gz MBUOCANPHHEXSY-JSGCOSHPSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001380565844 898903485 /nfs/dbraw/zinc/90/34/85/898903485.db2.gz JOFJTQGTQBRTFH-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001380565844 898903494 /nfs/dbraw/zinc/90/34/94/898903494.db2.gz JOFJTQGTQBRTFH-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001380565844 898903501 /nfs/dbraw/zinc/90/35/01/898903501.db2.gz JOFJTQGTQBRTFH-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001380565844 898903508 /nfs/dbraw/zinc/90/35/08/898903508.db2.gz JOFJTQGTQBRTFH-GXTWGEPZSA-N 2 1 285.388 -0.720 20 0 CBADMP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001380897394 898965987 /nfs/dbraw/zinc/96/59/87/898965987.db2.gz NXPFNCGDLLYLNH-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001380908156 898969295 /nfs/dbraw/zinc/96/92/95/898969295.db2.gz CEZFCPROHULDAO-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1)[NH+](C)C ZINC001380932861 898972070 /nfs/dbraw/zinc/97/20/70/898972070.db2.gz LHLUSJUBSSZAAS-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)CC1)C1CCC1 ZINC001380929216 898974530 /nfs/dbraw/zinc/97/45/30/898974530.db2.gz IWCZOKGNDZYCJJ-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1)C1CCC1 ZINC001380929216 898974540 /nfs/dbraw/zinc/97/45/40/898974540.db2.gz IWCZOKGNDZYCJJ-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1)C1CCC1 ZINC001380929216 898974549 /nfs/dbraw/zinc/97/45/49/898974549.db2.gz IWCZOKGNDZYCJJ-GFCCVEGCSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1)[NH+](C)C ZINC001380932866 898974835 /nfs/dbraw/zinc/97/48/35/898974835.db2.gz LHLUSJUBSSZAAS-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP CN(CCC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001380959262 898978500 /nfs/dbraw/zinc/97/85/00/898978500.db2.gz ZCHUJNFLLLRMQW-CYBMUJFWSA-N 2 1 296.415 -0.406 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]CCF)C1 ZINC001381042327 898989039 /nfs/dbraw/zinc/98/90/39/898989039.db2.gz GZGIIITWYDUWPW-OCCSQVGLSA-N 2 1 287.379 -0.007 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001381130229 899003265 /nfs/dbraw/zinc/00/32/65/899003265.db2.gz QEGYZGNJLXGRNU-UHFFFAOYSA-N 2 1 293.371 -0.352 20 0 CBADMP CC[NH+]1CCC(CO)(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001381268142 899021711 /nfs/dbraw/zinc/02/17/11/899021711.db2.gz OIFYTKOQKOUAHK-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCC(CO)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001381268142 899021728 /nfs/dbraw/zinc/02/17/28/899021728.db2.gz OIFYTKOQKOUAHK-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1ncnn1C ZINC001381440638 899049464 /nfs/dbraw/zinc/04/94/64/899049464.db2.gz CNYIGTVWYRKBIO-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001381517721 899073117 /nfs/dbraw/zinc/07/31/17/899073117.db2.gz PTSMDCMQISHPIP-YPMHNXCESA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001381517721 899073133 /nfs/dbraw/zinc/07/31/33/899073133.db2.gz PTSMDCMQISHPIP-YPMHNXCESA-N 2 1 296.415 -0.489 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001381564681 899084058 /nfs/dbraw/zinc/08/40/58/899084058.db2.gz LRLJCCCNDDMQAD-QWRGUYRKSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)NC1CC1 ZINC001381623583 899098318 /nfs/dbraw/zinc/09/83/18/899098318.db2.gz VLBAWBFBHSGGFB-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)NC1CC1 ZINC001381623583 899098331 /nfs/dbraw/zinc/09/83/31/899098331.db2.gz VLBAWBFBHSGGFB-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)NC1CC1 ZINC001381623583 899098345 /nfs/dbraw/zinc/09/83/45/899098345.db2.gz VLBAWBFBHSGGFB-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)NC1CC1 ZINC001381623583 899098360 /nfs/dbraw/zinc/09/83/60/899098360.db2.gz VLBAWBFBHSGGFB-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001382028296 899143007 /nfs/dbraw/zinc/14/30/07/899143007.db2.gz CEAREZGIBLXCDA-AAEUAGOBSA-N 2 1 296.415 -0.360 20 0 CBADMP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001382156150 899168088 /nfs/dbraw/zinc/16/80/88/899168088.db2.gz QUMFUTRSSFZUSY-MNOVXSKESA-N 2 1 297.407 -0.513 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001382216535 899198493 /nfs/dbraw/zinc/19/84/93/899198493.db2.gz HYJNOADQHDVVKH-STQMWFEESA-N 2 1 287.404 -0.834 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CCF)CC[N@H+]1C ZINC001382239375 899205286 /nfs/dbraw/zinc/20/52/86/899205286.db2.gz VSGWLRDMCRGWGJ-SDDRHHMPSA-N 2 1 275.368 -0.247 20 0 CBADMP Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382275353 899231113 /nfs/dbraw/zinc/23/11/13/899231113.db2.gz SLLIZAPAHLUNEP-VXGBXAGGSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382275353 899231127 /nfs/dbraw/zinc/23/11/27/899231127.db2.gz SLLIZAPAHLUNEP-VXGBXAGGSA-N 2 1 296.371 -0.499 20 0 CBADMP CC[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001382428722 899289856 /nfs/dbraw/zinc/28/98/56/899289856.db2.gz OYHCUAMLYZPIOP-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)O ZINC001382462645 899309079 /nfs/dbraw/zinc/30/90/79/899309079.db2.gz QARVTUSXXMRMTE-OLZOCXBDSA-N 2 1 298.387 -0.677 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@@H](C)O ZINC001382462645 899309096 /nfs/dbraw/zinc/30/90/96/899309096.db2.gz QARVTUSXXMRMTE-OLZOCXBDSA-N 2 1 298.387 -0.677 20 0 CBADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001382589297 899336103 /nfs/dbraw/zinc/33/61/03/899336103.db2.gz JHWFGQGVKVGPDG-UHFFFAOYSA-N 2 1 293.371 -0.483 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001387034279 899747927 /nfs/dbraw/zinc/74/79/27/899747927.db2.gz ZCVBAVKZSOGOJW-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](C)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001387034279 899747933 /nfs/dbraw/zinc/74/79/33/899747933.db2.gz ZCVBAVKZSOGOJW-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[NH+](C)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001387034279 899747946 /nfs/dbraw/zinc/74/79/46/899747946.db2.gz ZCVBAVKZSOGOJW-CYBMUJFWSA-N 2 1 298.431 -0.146 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001387784090 899829642 /nfs/dbraw/zinc/82/96/42/899829642.db2.gz GYWCDJQKYGOZKR-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001387784090 899829654 /nfs/dbraw/zinc/82/96/54/899829654.db2.gz GYWCDJQKYGOZKR-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[NH+](C)CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001387784090 899829662 /nfs/dbraw/zinc/82/96/62/899829662.db2.gz GYWCDJQKYGOZKR-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001389209546 899972305 /nfs/dbraw/zinc/97/23/05/899972305.db2.gz UPOIGSFAQMUNJS-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001389427835 900011201 /nfs/dbraw/zinc/01/12/01/900011201.db2.gz KCKIWYSCQPRKAV-UHFFFAOYSA-N 2 1 293.371 -0.530 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001389422096 900011720 /nfs/dbraw/zinc/01/17/20/900011720.db2.gz CQCPJIHLFZBRBU-UHFFFAOYSA-N 2 1 293.371 -0.530 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001389520562 900034051 /nfs/dbraw/zinc/03/40/51/900034051.db2.gz ZDJULARUIXYVQD-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)CC[N@H+]1C ZINC001389598868 900047276 /nfs/dbraw/zinc/04/72/76/900047276.db2.gz AHMDPEXTJFZUDF-YUSALJHKSA-N 2 1 282.388 -0.704 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001389954766 900097869 /nfs/dbraw/zinc/09/78/69/900097869.db2.gz FNCOZKHPFBLCKE-SCRDCRAPSA-N 2 1 299.415 -0.285 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001390016920 900107218 /nfs/dbraw/zinc/10/72/18/900107218.db2.gz WQPNZKDFYAETET-TXEJJXNPSA-N 2 1 293.371 -0.483 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cnnn1C ZINC001390381751 900146534 /nfs/dbraw/zinc/14/65/34/900146534.db2.gz WVZOOGLDFBTCSA-NQBHXWOUSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH2+]CC(N)=O ZINC001390391142 900150624 /nfs/dbraw/zinc/15/06/24/900150624.db2.gz ABLLKDAUYOPJHP-DGCLKSJQSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cn(C)nn1 ZINC001390384257 900150868 /nfs/dbraw/zinc/15/08/68/900150868.db2.gz ZJXIWEFZANLLHH-NQBHXWOUSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cn(C)nn1 ZINC001390384257 900150872 /nfs/dbraw/zinc/15/08/72/900150872.db2.gz ZJXIWEFZANLLHH-NQBHXWOUSA-N 2 1 294.403 -0.250 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001390433862 900158490 /nfs/dbraw/zinc/15/84/90/900158490.db2.gz OAHMYPLCVREMCF-NEPJUHHUSA-N 2 1 284.404 -0.314 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001390442877 900162335 /nfs/dbraw/zinc/16/23/35/900162335.db2.gz YUWHGCLXIIOMTK-CMPLNLGQSA-N 2 1 295.387 -0.237 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001390487108 900173389 /nfs/dbraw/zinc/17/33/89/900173389.db2.gz XOPHVYLABMAMOC-VXGBXAGGSA-N 2 1 284.404 -0.171 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCn1cccn1 ZINC001390524271 900183671 /nfs/dbraw/zinc/18/36/71/900183671.db2.gz XBKVKPSVCYAUHQ-OLZOCXBDSA-N 2 1 279.388 -0.071 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCn1cccn1 ZINC001390524276 900183819 /nfs/dbraw/zinc/18/38/19/900183819.db2.gz XBKVKPSVCYAUHQ-STQMWFEESA-N 2 1 279.388 -0.071 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001390565627 900189900 /nfs/dbraw/zinc/18/99/00/900189900.db2.gz MUFFHMMRMVBACY-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001390590545 900194267 /nfs/dbraw/zinc/19/42/67/900194267.db2.gz DQICQUREIVXBLN-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001390614667 900196013 /nfs/dbraw/zinc/19/60/13/900196013.db2.gz XULLFKVWQHHQKN-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001390649649 900201574 /nfs/dbraw/zinc/20/15/74/900201574.db2.gz WHBZTOQWECVKJB-NEPJUHHUSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@H]([NH2+][C@H](C)CCNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001390684052 900209078 /nfs/dbraw/zinc/20/90/78/900209078.db2.gz XQEJSUHSJKEMNX-PWSUYJOCSA-N 2 1 295.387 -0.060 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001390711322 900216165 /nfs/dbraw/zinc/21/61/65/900216165.db2.gz IUSLEGCVCXFRJF-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001390818830 900256673 /nfs/dbraw/zinc/25/66/73/900256673.db2.gz NUBPSKWDBLHHRR-QWHCGFSZSA-N 2 1 298.431 -0.149 20 0 CBADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001390818830 900256686 /nfs/dbraw/zinc/25/66/86/900256686.db2.gz NUBPSKWDBLHHRR-QWHCGFSZSA-N 2 1 298.431 -0.149 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@H]1CCCN(C)C1=O ZINC001390843242 900267427 /nfs/dbraw/zinc/26/74/27/900267427.db2.gz KRWOLKHKOSHWDY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@H]1CCCN(C)C1=O ZINC001390843242 900267447 /nfs/dbraw/zinc/26/74/47/900267447.db2.gz KRWOLKHKOSHWDY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@H]1CCCN(C)C1=O ZINC001390843242 900267461 /nfs/dbraw/zinc/26/74/61/900267461.db2.gz KRWOLKHKOSHWDY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC001390843242 900267477 /nfs/dbraw/zinc/26/74/77/900267477.db2.gz KRWOLKHKOSHWDY-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCn1cncn1 ZINC001390848640 900268143 /nfs/dbraw/zinc/26/81/43/900268143.db2.gz WXSJLRWKZGNUPV-UHFFFAOYSA-N 2 1 292.387 -0.578 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001390848920 900268941 /nfs/dbraw/zinc/26/89/41/900268941.db2.gz CDZWQTWTKWKVKN-NWDGAFQWSA-N 2 1 286.420 -0.116 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001390848920 900268945 /nfs/dbraw/zinc/26/89/45/900268945.db2.gz CDZWQTWTKWKVKN-NWDGAFQWSA-N 2 1 286.420 -0.116 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001391107434 900315460 /nfs/dbraw/zinc/31/54/60/900315460.db2.gz AVGMXPOTEVPCCI-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CCCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001391222924 900342816 /nfs/dbraw/zinc/34/28/16/900342816.db2.gz VGEQDDLSFYOORY-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H]([NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001391226458 900343780 /nfs/dbraw/zinc/34/37/80/900343780.db2.gz IOTRFVHKRQKVKA-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001391401061 900365408 /nfs/dbraw/zinc/36/54/08/900365408.db2.gz PBSWXGFLCHJJGD-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001391401061 900365418 /nfs/dbraw/zinc/36/54/18/900365418.db2.gz PBSWXGFLCHJJGD-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001391493606 900395507 /nfs/dbraw/zinc/39/55/07/900395507.db2.gz AUCGKNHZGZWUGM-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001391562677 900408773 /nfs/dbraw/zinc/40/87/73/900408773.db2.gz XZCNJHQCZFTRRG-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001391562677 900408781 /nfs/dbraw/zinc/40/87/81/900408781.db2.gz XZCNJHQCZFTRRG-KBPBESRZSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001391562528 900409151 /nfs/dbraw/zinc/40/91/51/900409151.db2.gz XSGSZNMRFHLEJP-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001391562528 900409158 /nfs/dbraw/zinc/40/91/58/900409158.db2.gz XSGSZNMRFHLEJP-MNOVXSKESA-N 2 1 270.377 -0.608 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001391633098 900422676 /nfs/dbraw/zinc/42/26/76/900422676.db2.gz TWHAZZLERISJSE-BFHYXJOUSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001391633098 900422682 /nfs/dbraw/zinc/42/26/82/900422682.db2.gz TWHAZZLERISJSE-BFHYXJOUSA-N 2 1 299.415 -0.379 20 0 CBADMP COC[C@H](O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001391633098 900422690 /nfs/dbraw/zinc/42/26/90/900422690.db2.gz TWHAZZLERISJSE-BFHYXJOUSA-N 2 1 299.415 -0.379 20 0 CBADMP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001391645558 900426240 /nfs/dbraw/zinc/42/62/40/900426240.db2.gz CREHKSZFRQMUPS-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391645558 900426246 /nfs/dbraw/zinc/42/62/46/900426246.db2.gz CREHKSZFRQMUPS-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001391645558 900426250 /nfs/dbraw/zinc/42/62/50/900426250.db2.gz CREHKSZFRQMUPS-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001391645558 900426254 /nfs/dbraw/zinc/42/62/54/900426254.db2.gz CREHKSZFRQMUPS-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H](CC)[NH2+][C@H]1CCNC1=O ZINC001391745561 900444714 /nfs/dbraw/zinc/44/47/14/900444714.db2.gz VWYKTRNVLUTBSA-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001391773281 900447009 /nfs/dbraw/zinc/44/70/09/900447009.db2.gz WZMXFJRXLORPPI-UHFFFAOYSA-N 2 1 284.404 -0.168 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CC(N)=O)CCCC2)CC[N@H+]1C ZINC001391764964 900448044 /nfs/dbraw/zinc/44/80/44/900448044.db2.gz MLYFAKZQYOPSEN-VXGBXAGGSA-N 2 1 296.415 -0.170 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001392084948 900508811 /nfs/dbraw/zinc/50/88/11/900508811.db2.gz USJOXIROWLIVIV-JQWIXIFHSA-N 2 1 295.387 -0.237 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001392225880 900536625 /nfs/dbraw/zinc/53/66/25/900536625.db2.gz HHKVMIPZUMCPKU-OLZOCXBDSA-N 2 1 298.431 -0.053 20 0 CBADMP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)no1 ZINC001392387753 900597121 /nfs/dbraw/zinc/59/71/21/900597121.db2.gz AKWWJTDHTJJBDB-LBPRGKRZSA-N 2 1 284.360 -0.499 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001456298673 914457854 /nfs/dbraw/zinc/45/78/54/914457854.db2.gz OXNQEKWVKTWJDE-GHMZBOCLSA-N 2 1 253.346 -0.473 20 0 CBADMP C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001392441691 900620062 /nfs/dbraw/zinc/62/00/62/900620062.db2.gz IBGVMNSYLDGYRE-GHMZBOCLSA-N 2 1 284.404 -0.171 20 0 CBADMP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001392466041 900626364 /nfs/dbraw/zinc/62/63/64/900626364.db2.gz LOTOSFVYLWQXHR-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CCn1cc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001392501248 900636644 /nfs/dbraw/zinc/63/66/44/900636644.db2.gz JGUZCJPGXNRCAJ-DGCLKSJQSA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1cc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001392501248 900636650 /nfs/dbraw/zinc/63/66/50/900636650.db2.gz JGUZCJPGXNRCAJ-DGCLKSJQSA-N 2 1 294.403 -0.014 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001392499128 900638930 /nfs/dbraw/zinc/63/89/30/900638930.db2.gz XULXHWLAOYDDBK-PWSUYJOCSA-N 2 1 295.387 -0.237 20 0 CBADMP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001392506214 900640319 /nfs/dbraw/zinc/64/03/19/900640319.db2.gz RZMLGRRXCOJKNG-MXWKQRLJSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392530270 900647858 /nfs/dbraw/zinc/64/78/58/900647858.db2.gz ONBFDWOBWLBZIF-YPMHNXCESA-N 2 1 296.415 -0.441 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392561502 900661544 /nfs/dbraw/zinc/66/15/44/900661544.db2.gz AKSIHILBABCEDS-QJPTWQEYSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392561502 900661548 /nfs/dbraw/zinc/66/15/48/900661548.db2.gz AKSIHILBABCEDS-QJPTWQEYSA-N 2 1 294.403 -0.250 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001392573106 900664399 /nfs/dbraw/zinc/66/43/99/900664399.db2.gz DOODHAQYSLWDPH-AVGNSLFASA-N 2 1 287.404 -0.428 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001392568776 900664832 /nfs/dbraw/zinc/66/48/32/900664832.db2.gz DJGOLXREFOAODR-RYUDHWBXSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H](C[NH2+]CC(N)=O)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001392594424 900670012 /nfs/dbraw/zinc/67/00/12/900670012.db2.gz USWTYBIEFAGHOY-JTQLQIEISA-N 2 1 272.393 -0.456 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001392603199 900672986 /nfs/dbraw/zinc/67/29/86/900672986.db2.gz VSXSMHBSKZIOTD-WDEREUQCSA-N 2 1 272.393 -0.443 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392614719 900677711 /nfs/dbraw/zinc/67/77/11/900677711.db2.gz QAEFZCHQXSVCKM-QWRGUYRKSA-N 2 1 280.376 -0.639 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392614719 900677723 /nfs/dbraw/zinc/67/77/23/900677723.db2.gz QAEFZCHQXSVCKM-QWRGUYRKSA-N 2 1 280.376 -0.639 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001392610187 900678635 /nfs/dbraw/zinc/67/86/35/900678635.db2.gz JJGMZPZAEUJPOY-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)C[NH+]1CCCC1 ZINC001392617159 900679086 /nfs/dbraw/zinc/67/90/86/900679086.db2.gz YBFQJPJDLMFLTH-QWRGUYRKSA-N 2 1 295.391 -0.539 20 0 CBADMP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001392690830 900704454 /nfs/dbraw/zinc/70/44/54/900704454.db2.gz XILHFOHFCISDCQ-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001392690830 900704459 /nfs/dbraw/zinc/70/44/59/900704459.db2.gz XILHFOHFCISDCQ-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001392726557 900714514 /nfs/dbraw/zinc/71/45/14/900714514.db2.gz LKERTNJSMQEVEC-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001392726557 900714520 /nfs/dbraw/zinc/71/45/20/900714520.db2.gz LKERTNJSMQEVEC-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001392730080 900715427 /nfs/dbraw/zinc/71/54/27/900715427.db2.gz YGGMNNZRPCJRMJ-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001392730080 900715437 /nfs/dbraw/zinc/71/54/37/900715437.db2.gz YGGMNNZRPCJRMJ-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392730080 900715446 /nfs/dbraw/zinc/71/54/46/900715446.db2.gz YGGMNNZRPCJRMJ-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392730080 900715452 /nfs/dbraw/zinc/71/54/52/900715452.db2.gz YGGMNNZRPCJRMJ-WDEREUQCSA-N 2 1 270.377 -0.750 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392796467 900728285 /nfs/dbraw/zinc/72/82/85/900728285.db2.gz DWYVFWARHSXXGO-CMPLNLGQSA-N 2 1 282.388 -0.702 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001392797607 900728470 /nfs/dbraw/zinc/72/84/70/900728470.db2.gz FTOTZYNNJCTEKN-OLZOCXBDSA-N 2 1 296.415 -0.301 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393058411 900785647 /nfs/dbraw/zinc/78/56/47/900785647.db2.gz YMGWTAOSUHNYBL-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP Cn1ncc(C[NH2+]C[C@H]2CCCN2C(=O)CC[NH+](C)C)n1 ZINC001393059082 900787363 /nfs/dbraw/zinc/78/73/63/900787363.db2.gz VNZLREARPWZBDG-CYBMUJFWSA-N 2 1 294.403 -0.153 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001393105102 900794344 /nfs/dbraw/zinc/79/43/44/900794344.db2.gz FUWWCVZEOVHIKE-TZMCWYRMSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001393110707 900795615 /nfs/dbraw/zinc/79/56/15/900795615.db2.gz ZBWBHPQJBAVFMH-CQSZACIVSA-N 2 1 284.404 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001393110707 900795625 /nfs/dbraw/zinc/79/56/25/900795625.db2.gz ZBWBHPQJBAVFMH-CQSZACIVSA-N 2 1 284.404 -0.345 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC2(C)CC[NH+](CCO)CC2)C1 ZINC001393170833 900799641 /nfs/dbraw/zinc/79/96/41/900799641.db2.gz JFBSOEJMCMRZPS-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC2(C)CC[NH+](CCO)CC2)C1 ZINC001393170833 900799644 /nfs/dbraw/zinc/79/96/44/900799644.db2.gz JFBSOEJMCMRZPS-ZDUSSCGKSA-N 2 1 299.415 -0.472 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001393250431 900813670 /nfs/dbraw/zinc/81/36/70/900813670.db2.gz PLXDXQZPHAORPI-NFAWXSAZSA-N 2 1 299.415 -0.474 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001393250431 900813678 /nfs/dbraw/zinc/81/36/78/900813678.db2.gz PLXDXQZPHAORPI-NFAWXSAZSA-N 2 1 299.415 -0.474 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001393250431 900813687 /nfs/dbraw/zinc/81/36/87/900813687.db2.gz PLXDXQZPHAORPI-NFAWXSAZSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001393464019 900860217 /nfs/dbraw/zinc/86/02/17/900860217.db2.gz OXOLVOHOWZDQAH-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001393464019 900860227 /nfs/dbraw/zinc/86/02/27/900860227.db2.gz OXOLVOHOWZDQAH-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP COC[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001393469322 900864388 /nfs/dbraw/zinc/86/43/88/900864388.db2.gz ZGCCIHAECLNXEE-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001393535157 900870805 /nfs/dbraw/zinc/87/08/05/900870805.db2.gz WAGTYEXWVRMNEH-OLZOCXBDSA-N 2 1 299.415 -0.284 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001393644799 900886808 /nfs/dbraw/zinc/88/68/08/900886808.db2.gz QBTDTMMXRJXRMF-OLZOCXBDSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001393803156 900909800 /nfs/dbraw/zinc/90/98/00/900909800.db2.gz YOBLXPVNBJYSMV-HBNTYKKESA-N 2 1 270.377 -0.704 20 0 CBADMP COCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001393871327 900918722 /nfs/dbraw/zinc/91/87/22/900918722.db2.gz LFVKWGYQFHQUOR-ZIAGYGMSSA-N 2 1 299.415 -0.114 20 0 CBADMP CN(CC(N)=O)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001393881356 900919045 /nfs/dbraw/zinc/91/90/45/900919045.db2.gz GEDXBKXQZRBMFL-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001393881356 900919050 /nfs/dbraw/zinc/91/90/50/900919050.db2.gz GEDXBKXQZRBMFL-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001393881356 900919057 /nfs/dbraw/zinc/91/90/57/900919057.db2.gz GEDXBKXQZRBMFL-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001393881356 900919067 /nfs/dbraw/zinc/91/90/67/900919067.db2.gz GEDXBKXQZRBMFL-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001393881356 900919076 /nfs/dbraw/zinc/91/90/76/900919076.db2.gz GEDXBKXQZRBMFL-QWHCGFSZSA-N 2 1 296.415 -0.264 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)CC(N)=O ZINC001393880948 900919308 /nfs/dbraw/zinc/91/93/08/900919308.db2.gz FJKVHRQDIYJHIO-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CC(N)=O ZINC001393880948 900919317 /nfs/dbraw/zinc/91/93/17/900919317.db2.gz FJKVHRQDIYJHIO-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CC(N)=O ZINC001393880948 900919327 /nfs/dbraw/zinc/91/93/27/900919327.db2.gz FJKVHRQDIYJHIO-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O ZINC001393880948 900919334 /nfs/dbraw/zinc/91/93/34/900919334.db2.gz FJKVHRQDIYJHIO-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O ZINC001393880948 900919343 /nfs/dbraw/zinc/91/93/43/900919343.db2.gz FJKVHRQDIYJHIO-GFCCVEGCSA-N 2 1 284.404 -0.264 20 0 CBADMP COCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001393871325 900920886 /nfs/dbraw/zinc/92/08/86/900920886.db2.gz LFVKWGYQFHQUOR-UONOGXRCSA-N 2 1 299.415 -0.114 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(N)=O ZINC001393990308 900948201 /nfs/dbraw/zinc/94/82/01/900948201.db2.gz UPCSDJDYROJYIC-QWRGUYRKSA-N 2 1 295.387 -0.025 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001394004981 900949101 /nfs/dbraw/zinc/94/91/01/900949101.db2.gz URYHNPJPNTXNTF-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001394139440 900984019 /nfs/dbraw/zinc/98/40/19/900984019.db2.gz WVHJYJZPESSBAK-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001394139440 900984029 /nfs/dbraw/zinc/98/40/29/900984029.db2.gz WVHJYJZPESSBAK-WDEREUQCSA-N 2 1 270.377 -0.608 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC001394294388 901006939 /nfs/dbraw/zinc/00/69/39/901006939.db2.gz VLIMSVFVAQDWRD-HNNXBMFYSA-N 2 1 299.415 -0.376 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC001394294388 901006953 /nfs/dbraw/zinc/00/69/53/901006953.db2.gz VLIMSVFVAQDWRD-HNNXBMFYSA-N 2 1 299.415 -0.376 20 0 CBADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394453540 901027714 /nfs/dbraw/zinc/02/77/14/901027714.db2.gz QIDBTXQDOOSQIQ-NEPJUHHUSA-N 2 1 282.388 -0.750 20 0 CBADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394453547 901029073 /nfs/dbraw/zinc/02/90/73/901029073.db2.gz QIDBTXQDOOSQIQ-NWDGAFQWSA-N 2 1 282.388 -0.750 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001394536829 901046258 /nfs/dbraw/zinc/04/62/58/901046258.db2.gz FMPJNOFHUAXSMU-CHWSQXEVSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001394558619 901052060 /nfs/dbraw/zinc/05/20/60/901052060.db2.gz LBCNRKRAICEGKX-JTQLQIEISA-N 2 1 281.360 -0.626 20 0 CBADMP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C)on1 ZINC001394645175 901103856 /nfs/dbraw/zinc/10/38/56/901103856.db2.gz KLUOQVSDJXEIGD-GFCCVEGCSA-N 2 1 298.387 -0.110 20 0 CBADMP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C(C)C)on1 ZINC001394645175 901103861 /nfs/dbraw/zinc/10/38/61/901103861.db2.gz KLUOQVSDJXEIGD-GFCCVEGCSA-N 2 1 298.387 -0.110 20 0 CBADMP CC[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)[NH+](C)C ZINC001394780016 901153829 /nfs/dbraw/zinc/15/38/29/901153829.db2.gz CPSBWTPTLGNJIW-VXGBXAGGSA-N 2 1 275.393 -0.930 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001397739369 901450711 /nfs/dbraw/zinc/45/07/11/901450711.db2.gz ZIGUPAKCMMYIAK-FRRDWIJNSA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC001397797084 901458327 /nfs/dbraw/zinc/45/83/27/901458327.db2.gz AMXSPJJPDSAKIV-OCCSQVGLSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001397928732 901479930 /nfs/dbraw/zinc/47/99/30/901479930.db2.gz NQMRPLZMWKAYCY-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001397928732 901479936 /nfs/dbraw/zinc/47/99/36/901479936.db2.gz NQMRPLZMWKAYCY-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001397928732 901479944 /nfs/dbraw/zinc/47/99/44/901479944.db2.gz NQMRPLZMWKAYCY-ZDUSSCGKSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001398341047 901524850 /nfs/dbraw/zinc/52/48/50/901524850.db2.gz USLXXLYBUIUARJ-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001398341047 901524857 /nfs/dbraw/zinc/52/48/57/901524857.db2.gz USLXXLYBUIUARJ-QWRGUYRKSA-N 2 1 270.377 -0.608 20 0 CBADMP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001398343931 901527791 /nfs/dbraw/zinc/52/77/91/901527791.db2.gz SZTTVLODIUUOSJ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001398343931 901527796 /nfs/dbraw/zinc/52/77/96/901527796.db2.gz SZTTVLODIUUOSJ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001398343931 901527804 /nfs/dbraw/zinc/52/78/04/901527804.db2.gz SZTTVLODIUUOSJ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001398343931 901527810 /nfs/dbraw/zinc/52/78/10/901527810.db2.gz SZTTVLODIUUOSJ-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001398389260 901533001 /nfs/dbraw/zinc/53/30/01/901533001.db2.gz AIFFKRGSMOLIJB-QWHCGFSZSA-N 2 1 296.415 -0.171 20 0 CBADMP CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001398469826 901543381 /nfs/dbraw/zinc/54/33/81/901543381.db2.gz RCZKGFGVLYWPLB-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC001398469840 901543953 /nfs/dbraw/zinc/54/39/53/901543953.db2.gz RCZKGFGVLYWPLB-STQMWFEESA-N 2 1 298.431 -0.018 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)[NH+](C)C ZINC001398627267 901578965 /nfs/dbraw/zinc/57/89/65/901578965.db2.gz QBPDOMAZQZGBRO-AXFHLTTASA-N 2 1 295.391 -0.713 20 0 CBADMP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001398643528 901581515 /nfs/dbraw/zinc/58/15/15/901581515.db2.gz ONVMMMUJIDEKQK-MCIONIFRSA-N 2 1 299.415 -0.020 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cnn(C)n1 ZINC001398925372 901636376 /nfs/dbraw/zinc/63/63/76/901636376.db2.gz QNYHCYIUIPGHNJ-DMDPSCGWSA-N 2 1 294.403 -0.250 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cnn(C)n1 ZINC001398925372 901636383 /nfs/dbraw/zinc/63/63/83/901636383.db2.gz QNYHCYIUIPGHNJ-DMDPSCGWSA-N 2 1 294.403 -0.250 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001399037568 901654470 /nfs/dbraw/zinc/65/44/70/901654470.db2.gz SMCBUHAFDQOHFE-SRVKXCTJSA-N 2 1 284.404 -0.443 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001399069599 901659192 /nfs/dbraw/zinc/65/91/92/901659192.db2.gz ADEZPHPSRATYQV-LLVKDONJSA-N 2 1 295.387 -0.153 20 0 CBADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cn(C)nn1 ZINC001399126932 901672121 /nfs/dbraw/zinc/67/21/21/901672121.db2.gz VYUQTSYBHDBSLS-NSHDSACASA-N 2 1 280.376 -0.495 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001399177571 901681602 /nfs/dbraw/zinc/68/16/02/901681602.db2.gz YURGNVBOSSFAGZ-JSGCOSHPSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001399258761 901688341 /nfs/dbraw/zinc/68/83/41/901688341.db2.gz XCHJWLDUMNXOEQ-RYUDHWBXSA-N 2 1 284.404 -0.362 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001399296836 901692291 /nfs/dbraw/zinc/69/22/91/901692291.db2.gz ZWXKURXJRQNHHD-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001399296836 901692294 /nfs/dbraw/zinc/69/22/94/901692294.db2.gz ZWXKURXJRQNHHD-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)N(C)C ZINC001399324058 901700616 /nfs/dbraw/zinc/70/06/16/901700616.db2.gz QNJXJYZVANPRSH-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001399380188 901706662 /nfs/dbraw/zinc/70/66/62/901706662.db2.gz WAXGFGZMBNWBFL-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001457347801 914558730 /nfs/dbraw/zinc/55/87/30/914558730.db2.gz XUIBTJVBHOOPOL-OLZOCXBDSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001399574763 901753316 /nfs/dbraw/zinc/75/33/16/901753316.db2.gz JHCVICDJRFRGGY-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001399574763 901753329 /nfs/dbraw/zinc/75/33/29/901753329.db2.gz JHCVICDJRFRGGY-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001399574763 901753339 /nfs/dbraw/zinc/75/33/39/901753339.db2.gz JHCVICDJRFRGGY-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001399574763 901753356 /nfs/dbraw/zinc/75/33/56/901753356.db2.gz JHCVICDJRFRGGY-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@H](C)C(=O)NC ZINC001399812038 901810937 /nfs/dbraw/zinc/81/09/37/901810937.db2.gz RQFYBNFYQACLRR-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@H](C)C(=O)NC ZINC001399812038 901810941 /nfs/dbraw/zinc/81/09/41/901810941.db2.gz RQFYBNFYQACLRR-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001399876868 901822654 /nfs/dbraw/zinc/82/26/54/901822654.db2.gz RRDPTXSHCWEELH-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001399876868 901822664 /nfs/dbraw/zinc/82/26/64/901822664.db2.gz RRDPTXSHCWEELH-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001399922087 901835121 /nfs/dbraw/zinc/83/51/21/901835121.db2.gz DBGCNSZNVJNSIZ-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399936914 901837715 /nfs/dbraw/zinc/83/77/15/901837715.db2.gz YKBNHGPQHFVPOE-NEPJUHHUSA-N 2 1 296.415 -0.360 20 0 CBADMP CN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001399938512 901838940 /nfs/dbraw/zinc/83/89/40/901838940.db2.gz ZVMFWMGPDCAEID-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001400015391 901853843 /nfs/dbraw/zinc/85/38/43/901853843.db2.gz DXOZYCVZVQMQGF-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001400026115 901858790 /nfs/dbraw/zinc/85/87/90/901858790.db2.gz RLYVGRDHPXQYMU-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](C)CCC(=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001400026115 901858801 /nfs/dbraw/zinc/85/88/01/901858801.db2.gz RLYVGRDHPXQYMU-LBPRGKRZSA-N 2 1 282.388 -0.593 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001400043126 901863994 /nfs/dbraw/zinc/86/39/94/901863994.db2.gz YJEKXXCBUREDJS-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001400043126 901864005 /nfs/dbraw/zinc/86/40/05/901864005.db2.gz YJEKXXCBUREDJS-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001400043126 901864014 /nfs/dbraw/zinc/86/40/14/901864014.db2.gz YJEKXXCBUREDJS-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001400043126 901864023 /nfs/dbraw/zinc/86/40/23/901864023.db2.gz YJEKXXCBUREDJS-RYUDHWBXSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001400064814 901870194 /nfs/dbraw/zinc/87/01/94/901870194.db2.gz DOGSFOOXEBRMQP-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001400176839 901890027 /nfs/dbraw/zinc/89/00/27/901890027.db2.gz PAFQVZAMCQTSFA-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001400176839 901890037 /nfs/dbraw/zinc/89/00/37/901890037.db2.gz PAFQVZAMCQTSFA-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001400176839 901890049 /nfs/dbraw/zinc/89/00/49/901890049.db2.gz PAFQVZAMCQTSFA-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001400176831 901890190 /nfs/dbraw/zinc/89/01/90/901890190.db2.gz PAFQVZAMCQTSFA-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001400176831 901890201 /nfs/dbraw/zinc/89/02/01/901890201.db2.gz PAFQVZAMCQTSFA-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001400176831 901890212 /nfs/dbraw/zinc/89/02/12/901890212.db2.gz PAFQVZAMCQTSFA-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001400226626 901900257 /nfs/dbraw/zinc/90/02/57/901900257.db2.gz CCYGVJAZCREZCT-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001400226626 901900263 /nfs/dbraw/zinc/90/02/63/901900263.db2.gz CCYGVJAZCREZCT-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001400226626 901900273 /nfs/dbraw/zinc/90/02/73/901900273.db2.gz CCYGVJAZCREZCT-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001400674741 901994419 /nfs/dbraw/zinc/99/44/19/901994419.db2.gz PLISPEAGJWAABY-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001400674741 901994429 /nfs/dbraw/zinc/99/44/29/901994429.db2.gz PLISPEAGJWAABY-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC(=O)NC ZINC001400807632 902021109 /nfs/dbraw/zinc/02/11/09/902021109.db2.gz YSURXNJMYVYCBQ-RWMBFGLXSA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(N)=O ZINC001400837603 902023895 /nfs/dbraw/zinc/02/38/95/902023895.db2.gz YJLSJTVIHPQVQX-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(N)=O ZINC001400837607 902026684 /nfs/dbraw/zinc/02/66/84/902026684.db2.gz YJLSJTVIHPQVQX-QWRGUYRKSA-N 2 1 270.377 -0.560 20 0 CBADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001401106569 902054926 /nfs/dbraw/zinc/05/49/26/902054926.db2.gz JFVRBZPIZSQXBS-VXGBXAGGSA-N 2 1 284.404 -0.314 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001401120951 902057787 /nfs/dbraw/zinc/05/77/87/902057787.db2.gz CSYGVNRGPRUSLA-VXGBXAGGSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C[NH2+]CC(=O)N(C)C ZINC001401128592 902060480 /nfs/dbraw/zinc/06/04/80/902060480.db2.gz KZJFHBKXGFASHE-OLZOCXBDSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1nncn1C ZINC001401125408 902061060 /nfs/dbraw/zinc/06/10/60/902061060.db2.gz OITXANRZFMVYFS-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001401175821 902072900 /nfs/dbraw/zinc/07/29/00/902072900.db2.gz LZMVSWDAHDWKJQ-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)CC[NH+](C)C ZINC001401243594 902092650 /nfs/dbraw/zinc/09/26/50/902092650.db2.gz VBNBMOMKDVPIRZ-NSHDSACASA-N 2 1 282.392 -0.297 20 0 CBADMP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001401258194 902095076 /nfs/dbraw/zinc/09/50/76/902095076.db2.gz KZLBDJBXOLJZBF-ZYHUDNBSSA-N 2 1 295.387 -0.108 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCO ZINC001401372299 902115561 /nfs/dbraw/zinc/11/55/61/902115561.db2.gz WEFMRFJGOZECPF-NEPJUHHUSA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCO ZINC001401372299 902115577 /nfs/dbraw/zinc/11/55/77/902115577.db2.gz WEFMRFJGOZECPF-NEPJUHHUSA-N 2 1 273.377 -0.960 20 0 CBADMP CCN1CC[C@H]([N@H+](C)CCN(C)C(=O)CC[NH+](C)C)C1=O ZINC001401387117 902118713 /nfs/dbraw/zinc/11/87/13/902118713.db2.gz MFXSSJNPJUFCMY-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CCN1CC[C@H]([N@@H+](C)CCN(C)C(=O)CC[NH+](C)C)C1=O ZINC001401387117 902118717 /nfs/dbraw/zinc/11/87/17/902118717.db2.gz MFXSSJNPJUFCMY-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001401394755 902120317 /nfs/dbraw/zinc/12/03/17/902120317.db2.gz JRVXFDYMGQDSKA-NEPJUHHUSA-N 2 1 286.420 -0.019 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001401394755 902120329 /nfs/dbraw/zinc/12/03/29/902120329.db2.gz JRVXFDYMGQDSKA-NEPJUHHUSA-N 2 1 286.420 -0.019 20 0 CBADMP CC(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001401498007 902142928 /nfs/dbraw/zinc/14/29/28/902142928.db2.gz BEKBXGGNQNRZBW-RYUDHWBXSA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001401498007 902142935 /nfs/dbraw/zinc/14/29/35/902142935.db2.gz BEKBXGGNQNRZBW-RYUDHWBXSA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001401589209 902178896 /nfs/dbraw/zinc/17/88/96/902178896.db2.gz PRTDIUQNYVSPEU-ZDUSSCGKSA-N 2 1 297.403 -0.673 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401610059 902188036 /nfs/dbraw/zinc/18/80/36/902188036.db2.gz MNEFEAQBKRWARV-QWRGUYRKSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001401619246 902193742 /nfs/dbraw/zinc/19/37/42/902193742.db2.gz GLAWYKRJNRKFRE-MNOVXSKESA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001401619246 902193753 /nfs/dbraw/zinc/19/37/53/902193753.db2.gz GLAWYKRJNRKFRE-MNOVXSKESA-N 2 1 280.376 -0.496 20 0 CBADMP Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401667286 902211412 /nfs/dbraw/zinc/21/14/12/902211412.db2.gz LBCKUTAOQBPFGX-MWLCHTKSSA-N 2 1 281.360 -0.076 20 0 CBADMP Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401667286 902211423 /nfs/dbraw/zinc/21/14/23/902211423.db2.gz LBCKUTAOQBPFGX-MWLCHTKSSA-N 2 1 281.360 -0.076 20 0 CBADMP Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401667276 902215223 /nfs/dbraw/zinc/21/52/23/902215223.db2.gz LBCKUTAOQBPFGX-KOLCDFICSA-N 2 1 281.360 -0.076 20 0 CBADMP Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401667276 902215236 /nfs/dbraw/zinc/21/52/36/902215236.db2.gz LBCKUTAOQBPFGX-KOLCDFICSA-N 2 1 281.360 -0.076 20 0 CBADMP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001401658763 902215327 /nfs/dbraw/zinc/21/53/27/902215327.db2.gz GETLPKIUDLAUIO-PWSUYJOCSA-N 2 1 297.407 -0.609 20 0 CBADMP CCn1cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001401670971 902217511 /nfs/dbraw/zinc/21/75/11/902217511.db2.gz JGUZCJPGXNRCAJ-WCQYABFASA-N 2 1 294.403 -0.014 20 0 CBADMP CCn1cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001401670971 902217525 /nfs/dbraw/zinc/21/75/25/902217525.db2.gz JGUZCJPGXNRCAJ-WCQYABFASA-N 2 1 294.403 -0.014 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001401677204 902223103 /nfs/dbraw/zinc/22/31/03/902223103.db2.gz YCAKNXVZJKVXBR-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401722191 902246543 /nfs/dbraw/zinc/24/65/43/902246543.db2.gz MYGPNTARRQFAIK-NWDGAFQWSA-N 2 1 298.431 -0.053 20 0 CBADMP C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001401786223 902270279 /nfs/dbraw/zinc/27/02/79/902270279.db2.gz OCMXCGYLDFNILL-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001401786223 902270286 /nfs/dbraw/zinc/27/02/86/902270286.db2.gz OCMXCGYLDFNILL-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+](C)CCO)C1 ZINC001401809579 902281764 /nfs/dbraw/zinc/28/17/64/902281764.db2.gz VEPFBLCKIREKKS-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+](C)CCO)C1 ZINC001401809579 902281776 /nfs/dbraw/zinc/28/17/76/902281776.db2.gz VEPFBLCKIREKKS-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)C[N@H+](C)CCO)C1 ZINC001401809579 902281784 /nfs/dbraw/zinc/28/17/84/902281784.db2.gz VEPFBLCKIREKKS-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)C[N@@H+](C)CCO)C1 ZINC001401809579 902281794 /nfs/dbraw/zinc/28/17/94/902281794.db2.gz VEPFBLCKIREKKS-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001401829215 902284937 /nfs/dbraw/zinc/28/49/37/902284937.db2.gz QUQKVOMCHKOSOZ-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001401829215 902284946 /nfs/dbraw/zinc/28/49/46/902284946.db2.gz QUQKVOMCHKOSOZ-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC(=O)N(C)C ZINC001401829215 902284957 /nfs/dbraw/zinc/28/49/57/902284957.db2.gz QUQKVOMCHKOSOZ-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC(=O)N(C)C ZINC001401829215 902284972 /nfs/dbraw/zinc/28/49/72/902284972.db2.gz QUQKVOMCHKOSOZ-GFCCVEGCSA-N 2 1 286.420 -0.149 20 0 CBADMP CO[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001401928022 902311665 /nfs/dbraw/zinc/31/16/65/902311665.db2.gz SCLXNTXPYQAWPQ-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CO[C@H](C)C[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001401928022 902311677 /nfs/dbraw/zinc/31/16/77/902311677.db2.gz SCLXNTXPYQAWPQ-KGLIPLIRSA-N 2 1 299.415 -0.066 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC)CC1 ZINC001401989754 902331783 /nfs/dbraw/zinc/33/17/83/902331783.db2.gz YKNRYFCLHNAGIC-GFCCVEGCSA-N 2 1 296.415 -0.155 20 0 CBADMP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001402082335 902350380 /nfs/dbraw/zinc/35/03/80/902350380.db2.gz SRIXQMFPMPIASN-LBPRGKRZSA-N 2 1 293.371 -0.482 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001402081896 902351022 /nfs/dbraw/zinc/35/10/22/902351022.db2.gz QPTVZDSUKRZRIS-LLVKDONJSA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001402109425 902354788 /nfs/dbraw/zinc/35/47/88/902354788.db2.gz ZVZBEIYAZTVEKB-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP CCC[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001402109425 902354795 /nfs/dbraw/zinc/35/47/95/902354795.db2.gz ZVZBEIYAZTVEKB-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP CCC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001402109412 902355901 /nfs/dbraw/zinc/35/59/01/902355901.db2.gz ZVZBEIYAZTVEKB-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP CCC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001402109412 902355917 /nfs/dbraw/zinc/35/59/17/902355917.db2.gz ZVZBEIYAZTVEKB-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001402137376 902364216 /nfs/dbraw/zinc/36/42/16/902364216.db2.gz RLGKRXPYHBKWSU-CYBMUJFWSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001402137376 902364228 /nfs/dbraw/zinc/36/42/28/902364228.db2.gz RLGKRXPYHBKWSU-CYBMUJFWSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001402137376 902364238 /nfs/dbraw/zinc/36/42/38/902364238.db2.gz RLGKRXPYHBKWSU-CYBMUJFWSA-N 2 1 270.377 -0.606 20 0 CBADMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001402137376 902364248 /nfs/dbraw/zinc/36/42/48/902364248.db2.gz RLGKRXPYHBKWSU-CYBMUJFWSA-N 2 1 270.377 -0.606 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402149380 902372109 /nfs/dbraw/zinc/37/21/09/902372109.db2.gz SNXJRFYBMKKUIA-FZMZJTMJSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402149380 902372113 /nfs/dbraw/zinc/37/21/13/902372113.db2.gz SNXJRFYBMKKUIA-FZMZJTMJSA-N 2 1 296.415 -0.217 20 0 CBADMP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001402214907 902383650 /nfs/dbraw/zinc/38/36/50/902383650.db2.gz AEMQUZWYCUVXNN-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001402214907 902383663 /nfs/dbraw/zinc/38/36/63/902383663.db2.gz AEMQUZWYCUVXNN-CHWSQXEVSA-N 2 1 296.371 -0.611 20 0 CBADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402225879 902385435 /nfs/dbraw/zinc/38/54/35/902385435.db2.gz HFRHDPQTKWMJLZ-CHWSQXEVSA-N 2 1 297.399 -0.720 20 0 CBADMP CO[C@H](C)C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001402258296 902395303 /nfs/dbraw/zinc/39/53/03/902395303.db2.gz BLOILUWEMIAQOI-OCCSQVGLSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001402314347 902422338 /nfs/dbraw/zinc/42/23/38/902422338.db2.gz XWOCTTFRINWDCS-RAIGVLPGSA-N 2 1 296.415 -0.443 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001402370071 902440316 /nfs/dbraw/zinc/44/03/16/902440316.db2.gz XNMJTKVCMZVPRB-STQMWFEESA-N 2 1 296.415 -0.299 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001402402697 902443442 /nfs/dbraw/zinc/44/34/42/902443442.db2.gz JJEZYXPSNICAFP-CYBMUJFWSA-N 2 1 296.415 -0.262 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001402429388 902448194 /nfs/dbraw/zinc/44/81/94/902448194.db2.gz FDFHMFRANAYWIZ-RYUDHWBXSA-N 2 1 282.388 -0.641 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001402441003 902452752 /nfs/dbraw/zinc/45/27/52/902452752.db2.gz WEUNTTRXXPTCKR-FRRDWIJNSA-N 2 1 296.415 -0.408 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001402457513 902454449 /nfs/dbraw/zinc/45/44/49/902454449.db2.gz NKGJKJGSNLQFMT-ZFWWWQNUSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001402457513 902454458 /nfs/dbraw/zinc/45/44/58/902454458.db2.gz NKGJKJGSNLQFMT-ZFWWWQNUSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001402457513 902454466 /nfs/dbraw/zinc/45/44/66/902454466.db2.gz NKGJKJGSNLQFMT-ZFWWWQNUSA-N 2 1 299.415 -0.736 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001402457501 902456626 /nfs/dbraw/zinc/45/66/26/902456626.db2.gz NKGJKJGSNLQFMT-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001402457501 902456635 /nfs/dbraw/zinc/45/66/35/902456635.db2.gz NKGJKJGSNLQFMT-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001402457501 902456645 /nfs/dbraw/zinc/45/66/45/902456645.db2.gz NKGJKJGSNLQFMT-HIFRSBDPSA-N 2 1 299.415 -0.736 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001402488089 902464179 /nfs/dbraw/zinc/46/41/79/902464179.db2.gz BUVMSBWDDJODEN-SRVKXCTJSA-N 2 1 296.415 -0.158 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001402632645 902493900 /nfs/dbraw/zinc/49/39/00/902493900.db2.gz PKDYKVDESIGULL-UTUOFQBUSA-N 2 1 284.404 -0.171 20 0 CBADMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)[C@@H](C)C(N)=O)[NH+](C)C ZINC001402641225 902496500 /nfs/dbraw/zinc/49/65/00/902496500.db2.gz GJYCRCIXOBQVRU-NWDGAFQWSA-N 2 1 286.420 -0.019 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001402667381 902501608 /nfs/dbraw/zinc/50/16/08/902501608.db2.gz NCSHDSDDVXJCFB-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001402667376 902501743 /nfs/dbraw/zinc/50/17/43/902501743.db2.gz NCSHDSDDVXJCFB-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001402760956 902516085 /nfs/dbraw/zinc/51/60/85/902516085.db2.gz QHJAMQDUKCKDSJ-BFHYXJOUSA-N 2 1 299.415 -0.474 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001402752843 902516597 /nfs/dbraw/zinc/51/65/97/902516597.db2.gz CSSICOTXQZSMNH-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001402820114 902525710 /nfs/dbraw/zinc/52/57/10/902525710.db2.gz XKVKFRSERIUMGJ-NWDGAFQWSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC(N)=O ZINC001402830108 902528338 /nfs/dbraw/zinc/52/83/38/902528338.db2.gz XKNXNWRXEADROM-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CC(N)=O ZINC001402830108 902528343 /nfs/dbraw/zinc/52/83/43/902528343.db2.gz XKNXNWRXEADROM-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CC(N)=O ZINC001402830108 902528345 /nfs/dbraw/zinc/52/83/45/902528345.db2.gz XKNXNWRXEADROM-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CC(N)=O ZINC001402830108 902528349 /nfs/dbraw/zinc/52/83/49/902528349.db2.gz XKNXNWRXEADROM-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001402941903 902568955 /nfs/dbraw/zinc/56/89/55/902568955.db2.gz CFFMBSUFAIIFNK-NSHDSACASA-N 2 1 295.387 -0.190 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC001403075478 902609765 /nfs/dbraw/zinc/60/97/65/902609765.db2.gz KPAQRVQETLENFL-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)[C@@H](C)C(N)=O ZINC001403166449 902633814 /nfs/dbraw/zinc/63/38/14/902633814.db2.gz KHAIULCBJPWYHI-MNOVXSKESA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001403166449 902633824 /nfs/dbraw/zinc/63/38/24/902633824.db2.gz KHAIULCBJPWYHI-MNOVXSKESA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@@H]1CCCNC1=O ZINC001403174198 902638405 /nfs/dbraw/zinc/63/84/05/902638405.db2.gz XQOKSFCELCTXGW-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@H]1CCN(C)C1=O ZINC001403181566 902638470 /nfs/dbraw/zinc/63/84/70/902638470.db2.gz ACGGWYXYCNSCJR-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC001403181566 902638479 /nfs/dbraw/zinc/63/84/79/902638479.db2.gz ACGGWYXYCNSCJR-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001403181566 902638483 /nfs/dbraw/zinc/63/84/83/902638483.db2.gz ACGGWYXYCNSCJR-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001403186447 902642326 /nfs/dbraw/zinc/64/23/26/902642326.db2.gz ZYEOWOUHTVBEAL-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001403186447 902642331 /nfs/dbraw/zinc/64/23/31/902642331.db2.gz ZYEOWOUHTVBEAL-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H](C)C(N)=O ZINC001403230387 902656193 /nfs/dbraw/zinc/65/61/93/902656193.db2.gz PJPSMGJAFZPDEV-WDEREUQCSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H](C)C(N)=O ZINC001403230387 902656190 /nfs/dbraw/zinc/65/61/90/902656190.db2.gz PJPSMGJAFZPDEV-WDEREUQCSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001403230387 902656197 /nfs/dbraw/zinc/65/61/97/902656197.db2.gz PJPSMGJAFZPDEV-WDEREUQCSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001403230387 902656199 /nfs/dbraw/zinc/65/61/99/902656199.db2.gz PJPSMGJAFZPDEV-WDEREUQCSA-N 2 1 272.393 -0.363 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC001403347755 902674536 /nfs/dbraw/zinc/67/45/36/902674536.db2.gz GVRPPZXWKZTQMK-NEPJUHHUSA-N 2 1 298.431 -0.101 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC001403347755 902674547 /nfs/dbraw/zinc/67/45/47/902674547.db2.gz GVRPPZXWKZTQMK-NEPJUHHUSA-N 2 1 298.431 -0.101 20 0 CBADMP COC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001403538768 902719537 /nfs/dbraw/zinc/71/95/37/902719537.db2.gz WFUDUPCHWULWEW-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP COC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001403538768 902719548 /nfs/dbraw/zinc/71/95/48/902719548.db2.gz WFUDUPCHWULWEW-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP COC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001403538768 902719558 /nfs/dbraw/zinc/71/95/58/902719558.db2.gz WFUDUPCHWULWEW-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP COC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001403538768 902719567 /nfs/dbraw/zinc/71/95/67/902719567.db2.gz WFUDUPCHWULWEW-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001403567172 902735148 /nfs/dbraw/zinc/73/51/48/902735148.db2.gz OTTXTDWFMOHSDT-WCQYABFASA-N 2 1 296.415 -0.489 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001403567172 902735160 /nfs/dbraw/zinc/73/51/60/902735160.db2.gz OTTXTDWFMOHSDT-WCQYABFASA-N 2 1 296.415 -0.489 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001403570341 902738871 /nfs/dbraw/zinc/73/88/71/902738871.db2.gz XGKYPDMAAIMFBN-YNEHKIRRSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@@H]2CCNC2=O)CC[N@H+]1C ZINC001403570341 902738881 /nfs/dbraw/zinc/73/88/81/902738881.db2.gz XGKYPDMAAIMFBN-YNEHKIRRSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)CC[NH+]1C ZINC001403570341 902738891 /nfs/dbraw/zinc/73/88/91/902738891.db2.gz XGKYPDMAAIMFBN-YNEHKIRRSA-N 2 1 296.415 -0.347 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)CC[NH+]1C ZINC001403570341 902738902 /nfs/dbraw/zinc/73/89/02/902738902.db2.gz XGKYPDMAAIMFBN-YNEHKIRRSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@H](C)N(C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001403578526 902739605 /nfs/dbraw/zinc/73/96/05/902739605.db2.gz SVUBVPVCUXMCRC-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001403578526 902739618 /nfs/dbraw/zinc/73/96/18/902739618.db2.gz SVUBVPVCUXMCRC-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001403578526 902739624 /nfs/dbraw/zinc/73/96/24/902739624.db2.gz SVUBVPVCUXMCRC-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001403578526 902739634 /nfs/dbraw/zinc/73/96/34/902739634.db2.gz SVUBVPVCUXMCRC-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001403591549 902744168 /nfs/dbraw/zinc/74/41/68/902744168.db2.gz VSRANQIOPIEELR-QWHCGFSZSA-N 2 1 294.403 -0.191 20 0 CBADMP COC[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001403624742 902757050 /nfs/dbraw/zinc/75/70/50/902757050.db2.gz GOGPFXWOHYMPPR-WCQYABFASA-N 2 1 298.387 -0.365 20 0 CBADMP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H]1CCCNC1=O ZINC001403659923 902786307 /nfs/dbraw/zinc/78/63/07/902786307.db2.gz MTWUIUSGDVCCTO-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H]1CCCNC1=O ZINC001403659923 902786314 /nfs/dbraw/zinc/78/63/14/902786314.db2.gz MTWUIUSGDVCCTO-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP CCN1CC[C@@H]([N@H+](C)CCNC(=O)CCC[NH+](C)C)C1=O ZINC001403674366 902792377 /nfs/dbraw/zinc/79/23/77/902792377.db2.gz SAVBLWLAIVWCPR-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN1CC[C@@H]([N@@H+](C)CCNC(=O)CCC[NH+](C)C)C1=O ZINC001403674366 902792386 /nfs/dbraw/zinc/79/23/86/902792386.db2.gz SAVBLWLAIVWCPR-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001403740395 902833147 /nfs/dbraw/zinc/83/31/47/902833147.db2.gz WFTUPYFHTNMFKK-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001403751944 902839159 /nfs/dbraw/zinc/83/91/59/902839159.db2.gz NNBQQKMOHHFAIR-OLZOCXBDSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C[C@H]2CCOC2)C1 ZINC001403784732 902846696 /nfs/dbraw/zinc/84/66/96/902846696.db2.gz LPONUSOIBQYMAB-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C[C@H]2CCOC2)C1 ZINC001403784732 902846705 /nfs/dbraw/zinc/84/67/05/902846705.db2.gz LPONUSOIBQYMAB-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)C[C@H]2CCOC2)C1 ZINC001403784732 902846710 /nfs/dbraw/zinc/84/67/10/902846710.db2.gz LPONUSOIBQYMAB-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)C[C@H]2CCOC2)C1 ZINC001403784732 902846720 /nfs/dbraw/zinc/84/67/20/902846720.db2.gz LPONUSOIBQYMAB-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H](C)C(N)=O ZINC001403852406 902877670 /nfs/dbraw/zinc/87/76/70/902877670.db2.gz PHPJLZACYJTTJZ-WCQYABFASA-N 2 1 296.415 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H](C)C(N)=O ZINC001403852406 902877679 /nfs/dbraw/zinc/87/76/79/902877679.db2.gz PHPJLZACYJTTJZ-WCQYABFASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)C1 ZINC001403993878 902919490 /nfs/dbraw/zinc/91/94/90/902919490.db2.gz VUROWZOXVYONIN-RYUDHWBXSA-N 2 1 298.431 -0.066 20 0 CBADMP NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001404106494 902940914 /nfs/dbraw/zinc/94/09/14/902940914.db2.gz RBVWERPWVOIKTJ-ZDUSSCGKSA-N 2 1 296.415 -0.214 20 0 CBADMP CN1CC[C@@H]([N@H+](CCNC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001404261282 902961310 /nfs/dbraw/zinc/96/13/10/902961310.db2.gz JPGTWVTUPDITLI-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@@H]([N@@H+](CCNC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001404261282 902961318 /nfs/dbraw/zinc/96/13/18/902961318.db2.gz JPGTWVTUPDITLI-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001404309857 902970277 /nfs/dbraw/zinc/97/02/77/902970277.db2.gz FETCZTSXOBCZKQ-NWDGAFQWSA-N 2 1 284.404 -0.347 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H]1CCCNC1=O ZINC001404312849 902970321 /nfs/dbraw/zinc/97/03/21/902970321.db2.gz ACPUTLXKKOZNJU-LBPRGKRZSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1nnnn1C ZINC001404335867 902978530 /nfs/dbraw/zinc/97/85/30/902978530.db2.gz XOGKWKJEPBEBTE-JTQLQIEISA-N 2 1 283.380 -0.729 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1nnnn1C ZINC001404335870 902979110 /nfs/dbraw/zinc/97/91/10/902979110.db2.gz XOGKWKJEPBEBTE-SNVBAGLBSA-N 2 1 283.380 -0.729 20 0 CBADMP C[NH+]1CCC(C(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001404523400 902996773 /nfs/dbraw/zinc/99/67/73/902996773.db2.gz UMQOUDGCLWCYKI-LBPRGKRZSA-N 2 1 296.415 -0.358 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001458821046 914681051 /nfs/dbraw/zinc/68/10/51/914681051.db2.gz ZAWXZTINTAOASE-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@H](C(=O)NCC1C[NH+]([C@H](CC)C(N)=O)C1)[NH+](C)C ZINC001404887826 903051847 /nfs/dbraw/zinc/05/18/47/903051847.db2.gz WBUXXNGGEVVHFQ-VXGBXAGGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001404971241 903062590 /nfs/dbraw/zinc/06/25/90/903062590.db2.gz IQKSDSCQQVQWEQ-AVGNSLFASA-N 2 1 287.379 -0.056 20 0 CBADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001404971241 903062603 /nfs/dbraw/zinc/06/26/03/903062603.db2.gz IQKSDSCQQVQWEQ-AVGNSLFASA-N 2 1 287.379 -0.056 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001405069546 903078909 /nfs/dbraw/zinc/07/89/09/903078909.db2.gz RNKYWSPMZMLAPU-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001405069546 903078919 /nfs/dbraw/zinc/07/89/19/903078919.db2.gz RNKYWSPMZMLAPU-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001405069546 903078927 /nfs/dbraw/zinc/07/89/27/903078927.db2.gz RNKYWSPMZMLAPU-MCIONIFRSA-N 2 1 299.415 -0.474 20 0 CBADMP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001405119417 903089420 /nfs/dbraw/zinc/08/94/20/903089420.db2.gz ILKKEQQNYKTQDG-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001405119417 903089432 /nfs/dbraw/zinc/08/94/32/903089432.db2.gz ILKKEQQNYKTQDG-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001405119417 903089446 /nfs/dbraw/zinc/08/94/46/903089446.db2.gz ILKKEQQNYKTQDG-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)CC[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001405119417 903089456 /nfs/dbraw/zinc/08/94/56/903089456.db2.gz ILKKEQQNYKTQDG-QWHCGFSZSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001405119421 903091481 /nfs/dbraw/zinc/09/14/81/903091481.db2.gz ILKKEQQNYKTQDG-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001405119421 903091494 /nfs/dbraw/zinc/09/14/94/903091494.db2.gz ILKKEQQNYKTQDG-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001405119421 903091502 /nfs/dbraw/zinc/09/15/02/903091502.db2.gz ILKKEQQNYKTQDG-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)CC[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001405119421 903091516 /nfs/dbraw/zinc/09/15/16/903091516.db2.gz ILKKEQQNYKTQDG-STQMWFEESA-N 2 1 296.415 -0.121 20 0 CBADMP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001405429083 903166640 /nfs/dbraw/zinc/16/66/40/903166640.db2.gz BDYWAJFYJYMKRA-IUODEOHRSA-N 2 1 296.415 -0.299 20 0 CBADMP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001405429094 903167728 /nfs/dbraw/zinc/16/77/28/903167728.db2.gz BDYWAJFYJYMKRA-SWLSCSKDSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001405598592 903186613 /nfs/dbraw/zinc/18/66/13/903186613.db2.gz WRQZOWCFFKYMHV-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001405720235 903209556 /nfs/dbraw/zinc/20/95/56/903209556.db2.gz QODSOIBGKXTCOW-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cnn(C)n1 ZINC001405739954 903211925 /nfs/dbraw/zinc/21/19/25/903211925.db2.gz HFGACQLFGCJLOB-DGCLKSJQSA-N 2 1 294.403 -0.249 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001405831808 903232905 /nfs/dbraw/zinc/23/29/05/903232905.db2.gz HEGUECGDLTUGJB-JQWIXIFHSA-N 2 1 293.371 -0.483 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@H](C)C1 ZINC001405956466 903248780 /nfs/dbraw/zinc/24/87/80/903248780.db2.gz BFWFMYBTXPMBMV-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001405971265 903248964 /nfs/dbraw/zinc/24/89/64/903248964.db2.gz MVBOEDFNXWCECH-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001406060644 903259361 /nfs/dbraw/zinc/25/93/61/903259361.db2.gz CLGINTDEQUGSLV-WDEREUQCSA-N 2 1 270.377 -0.846 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@H]([NH2+][C@H]1CCNC1=O)C(C)C ZINC001406075147 903262294 /nfs/dbraw/zinc/26/22/94/903262294.db2.gz NNURWCFGODJMQM-STQMWFEESA-N 2 1 298.431 -0.053 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O)CC[N@@H+]1C ZINC001406098461 903267913 /nfs/dbraw/zinc/26/79/13/903267913.db2.gz HHMQOSYMCPARRI-FRRDWIJNSA-N 2 1 298.431 -0.019 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O)CC[N@H+]1C ZINC001406098461 903267923 /nfs/dbraw/zinc/26/79/23/903267923.db2.gz HHMQOSYMCPARRI-FRRDWIJNSA-N 2 1 298.431 -0.019 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O)CC[NH+]1C ZINC001406098461 903267927 /nfs/dbraw/zinc/26/79/27/903267927.db2.gz HHMQOSYMCPARRI-FRRDWIJNSA-N 2 1 298.431 -0.019 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O)CC[NH+]1C ZINC001406098461 903267936 /nfs/dbraw/zinc/26/79/36/903267936.db2.gz HHMQOSYMCPARRI-FRRDWIJNSA-N 2 1 298.431 -0.019 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CCC[NH+]1C ZINC001406131255 903275662 /nfs/dbraw/zinc/27/56/62/903275662.db2.gz ZLDARMLZUSYOOR-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CCC[NH+]1C ZINC001406131255 903275674 /nfs/dbraw/zinc/27/56/74/903275674.db2.gz ZLDARMLZUSYOOR-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001406131255 903275683 /nfs/dbraw/zinc/27/56/83/903275683.db2.gz ZLDARMLZUSYOOR-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001406131255 903275690 /nfs/dbraw/zinc/27/56/90/903275690.db2.gz ZLDARMLZUSYOOR-NWDGAFQWSA-N 2 1 282.388 -0.641 20 0 CBADMP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001406154815 903281645 /nfs/dbraw/zinc/28/16/45/903281645.db2.gz QOILXWZKBUNWLX-VXGBXAGGSA-N 2 1 286.420 -0.163 20 0 CBADMP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O)[NH+](C)C ZINC001406154815 903281655 /nfs/dbraw/zinc/28/16/55/903281655.db2.gz QOILXWZKBUNWLX-VXGBXAGGSA-N 2 1 286.420 -0.163 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@H]1CCCNC1=O ZINC001406154089 903282268 /nfs/dbraw/zinc/28/22/68/903282268.db2.gz NNMGMUVAOOMFDZ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@H]1CCCNC1=O ZINC001406154089 903282283 /nfs/dbraw/zinc/28/22/83/903282283.db2.gz NNMGMUVAOOMFDZ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@H]1CCCNC1=O ZINC001406154089 903282296 /nfs/dbraw/zinc/28/22/96/903282296.db2.gz NNMGMUVAOOMFDZ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@H]1CCCNC1=O ZINC001406154089 903282315 /nfs/dbraw/zinc/28/23/15/903282315.db2.gz NNMGMUVAOOMFDZ-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccon1)[NH+](C)C ZINC001406260050 903329525 /nfs/dbraw/zinc/32/95/25/903329525.db2.gz LISATOWTAITQMX-NEPJUHHUSA-N 2 1 284.360 -0.419 20 0 CBADMP C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001406263116 903332202 /nfs/dbraw/zinc/33/22/02/903332202.db2.gz CMJOVCAMGLTDCD-WCQYABFASA-N 2 1 296.371 -0.417 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001406263116 903332215 /nfs/dbraw/zinc/33/22/15/903332215.db2.gz CMJOVCAMGLTDCD-WCQYABFASA-N 2 1 296.371 -0.417 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001406297535 903346451 /nfs/dbraw/zinc/34/64/51/903346451.db2.gz FXVJYFHZKRJUFH-GFCCVEGCSA-N 2 1 295.387 -0.617 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001406297535 903346467 /nfs/dbraw/zinc/34/64/67/903346467.db2.gz FXVJYFHZKRJUFH-GFCCVEGCSA-N 2 1 295.387 -0.617 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001406321377 903353549 /nfs/dbraw/zinc/35/35/49/903353549.db2.gz DXGYYYPRFBCQLQ-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001406387856 903387480 /nfs/dbraw/zinc/38/74/80/903387480.db2.gz UBPJBWMYGXFZQQ-IJLUTSLNSA-N 2 1 284.404 -0.348 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001406518220 903423814 /nfs/dbraw/zinc/42/38/14/903423814.db2.gz GBTKXUCTUJKFON-NEPJUHHUSA-N 2 1 296.415 -0.299 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001406543398 903429183 /nfs/dbraw/zinc/42/91/83/903429183.db2.gz JDBIOKJVGFOLOC-XQQFMLRXSA-N 2 1 287.404 -0.570 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406704691 903467304 /nfs/dbraw/zinc/46/73/04/903467304.db2.gz XYUXBDLXKYRZIY-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001406695143 903467768 /nfs/dbraw/zinc/46/77/68/903467768.db2.gz FULQZLUICPLYRF-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001406695143 903467772 /nfs/dbraw/zinc/46/77/72/903467772.db2.gz FULQZLUICPLYRF-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406695143 903467774 /nfs/dbraw/zinc/46/77/74/903467774.db2.gz FULQZLUICPLYRF-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406695143 903467776 /nfs/dbraw/zinc/46/77/76/903467776.db2.gz FULQZLUICPLYRF-GHMZBOCLSA-N 2 1 270.377 -0.879 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001406713876 903469929 /nfs/dbraw/zinc/46/99/29/903469929.db2.gz YPIVYNLNJHEJSK-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001406713876 903469937 /nfs/dbraw/zinc/46/99/37/903469937.db2.gz YPIVYNLNJHEJSK-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001406781877 903479473 /nfs/dbraw/zinc/47/94/73/903479473.db2.gz ZMBVPZOTMYSPRF-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001406872007 903495895 /nfs/dbraw/zinc/49/58/95/903495895.db2.gz GLQGENVJHLPROB-QWHCGFSZSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@@H+]1CC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001406877303 903501481 /nfs/dbraw/zinc/50/14/81/903501481.db2.gz LUEGVZUTRTWMAO-ZDUSSCGKSA-N 2 1 299.415 -0.066 20 0 CBADMP COCC[N@H+]1CC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001406877303 903501488 /nfs/dbraw/zinc/50/14/88/903501488.db2.gz LUEGVZUTRTWMAO-ZDUSSCGKSA-N 2 1 299.415 -0.066 20 0 CBADMP CCNC(=O)C[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001406958698 903517000 /nfs/dbraw/zinc/51/70/00/903517000.db2.gz OIKQGANOCBNWFJ-UHFFFAOYSA-N 2 1 293.371 -0.434 20 0 CBADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001406957926 903517339 /nfs/dbraw/zinc/51/73/39/903517339.db2.gz MOSOTONFBINYPL-STQMWFEESA-N 2 1 299.415 -0.426 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1 ZINC001407008911 903523466 /nfs/dbraw/zinc/52/34/66/903523466.db2.gz PLWMSCVICMFRJJ-SNVBAGLBSA-N 2 1 270.377 -0.561 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001407007090 903524135 /nfs/dbraw/zinc/52/41/35/903524135.db2.gz YEUWVDVVSYZKMA-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@]1(C)CC[N@H+](CCO)C1 ZINC001407172019 903552139 /nfs/dbraw/zinc/55/21/39/903552139.db2.gz CRXNLYBTWJHARS-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001407172019 903552146 /nfs/dbraw/zinc/55/21/46/903552146.db2.gz CRXNLYBTWJHARS-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001407272906 903560731 /nfs/dbraw/zinc/56/07/31/903560731.db2.gz WVPJNIVDAACXCV-GFCCVEGCSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@@H+](CC(=O)NC[C@]1(O)CC[NH+](CCCO)C1)C1CCC1 ZINC001407343288 903571822 /nfs/dbraw/zinc/57/18/22/903571822.db2.gz GXZLCJNRRYWAHX-OAHLLOKOSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1)C1CCC1 ZINC001407343288 903571839 /nfs/dbraw/zinc/57/18/39/903571839.db2.gz GXZLCJNRRYWAHX-OAHLLOKOSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1)C1CCC1 ZINC001407343288 903571845 /nfs/dbraw/zinc/57/18/45/903571845.db2.gz GXZLCJNRRYWAHX-OAHLLOKOSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)CCC1 ZINC001407340024 903574129 /nfs/dbraw/zinc/57/41/29/903574129.db2.gz AQFXBOLSIGQILV-ZDUSSCGKSA-N 2 1 287.379 -0.007 20 0 CBADMP C[NH+](C)C1(C(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)CCC1 ZINC001407340024 903574136 /nfs/dbraw/zinc/57/41/36/903574136.db2.gz AQFXBOLSIGQILV-ZDUSSCGKSA-N 2 1 287.379 -0.007 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](C(C)C)C2)C1 ZINC001407377633 903583628 /nfs/dbraw/zinc/58/36/28/903583628.db2.gz RKFZTMIDMZGYLJ-HIFRSBDPSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](C(C)C)C2)C1 ZINC001407377633 903583632 /nfs/dbraw/zinc/58/36/32/903583632.db2.gz RKFZTMIDMZGYLJ-HIFRSBDPSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](C(C)C)C2)C1 ZINC001407377633 903583636 /nfs/dbraw/zinc/58/36/36/903583636.db2.gz RKFZTMIDMZGYLJ-HIFRSBDPSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](C(C)C)C2)C1 ZINC001407377633 903583641 /nfs/dbraw/zinc/58/36/41/903583641.db2.gz RKFZTMIDMZGYLJ-HIFRSBDPSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001407645423 903639319 /nfs/dbraw/zinc/63/93/19/903639319.db2.gz UNMREAATASFEKK-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001407645423 903639322 /nfs/dbraw/zinc/63/93/22/903639322.db2.gz UNMREAATASFEKK-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@]2(CO)CCC[N@H+](CC)C2)C1 ZINC001407645423 903639324 /nfs/dbraw/zinc/63/93/24/903639324.db2.gz UNMREAATASFEKK-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CC)C2)C1 ZINC001407645423 903639330 /nfs/dbraw/zinc/63/93/30/903639330.db2.gz UNMREAATASFEKK-ZFWWWQNUSA-N 2 1 299.415 -0.330 20 0 CBADMP CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001407880349 903676765 /nfs/dbraw/zinc/67/67/65/903676765.db2.gz SJRFEPAQSJFIFL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001407880349 903676776 /nfs/dbraw/zinc/67/67/76/903676776.db2.gz SJRFEPAQSJFIFL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001407880349 903676778 /nfs/dbraw/zinc/67/67/78/903676778.db2.gz SJRFEPAQSJFIFL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001407915235 903678619 /nfs/dbraw/zinc/67/86/19/903678619.db2.gz KTJITXVGUYJCAH-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001407947336 903681084 /nfs/dbraw/zinc/68/10/84/903681084.db2.gz JZBDLDQDINFDLN-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC(N)=O ZINC001408155062 903722468 /nfs/dbraw/zinc/72/24/68/903722468.db2.gz FZZVKMIXDTZENV-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC(N)=O ZINC001408155062 903722479 /nfs/dbraw/zinc/72/24/79/903722479.db2.gz FZZVKMIXDTZENV-RYUDHWBXSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@H](CCNC(=O)CC[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001408499520 903766086 /nfs/dbraw/zinc/76/60/86/903766086.db2.gz TWWQOEMCIPGMEZ-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[NH+](C)CCC(=O)N1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001409066840 903843336 /nfs/dbraw/zinc/84/33/36/903843336.db2.gz OKPNMHYJVOVZRB-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC1CC(C[NH2+]CC(=O)NC)C1 ZINC001409289398 903878223 /nfs/dbraw/zinc/87/82/23/903878223.db2.gz QOGWQGGSLYOJMI-UHFFFAOYSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O)C1 ZINC001409436391 903900783 /nfs/dbraw/zinc/90/07/83/903900783.db2.gz ALCHXXFBEKXTKT-GFCCVEGCSA-N 2 1 298.431 -0.112 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001409425777 903902394 /nfs/dbraw/zinc/90/23/94/903902394.db2.gz LDASQBUQFKGEOC-NEPJUHHUSA-N 2 1 286.420 -0.101 20 0 CBADMP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001409614361 903942426 /nfs/dbraw/zinc/94/24/26/903942426.db2.gz PGSSLFJCTBADOX-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001409614361 903942443 /nfs/dbraw/zinc/94/24/43/903942443.db2.gz PGSSLFJCTBADOX-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001409614361 903942456 /nfs/dbraw/zinc/94/24/56/903942456.db2.gz PGSSLFJCTBADOX-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001409614361 903942474 /nfs/dbraw/zinc/94/24/74/903942474.db2.gz PGSSLFJCTBADOX-AVGNSLFASA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)CC(N)=O ZINC001409634434 903944705 /nfs/dbraw/zinc/94/47/05/903944705.db2.gz TVWGAVURHFOKAQ-SNVBAGLBSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@@H+](C)CC(N)=O ZINC001409634434 903944717 /nfs/dbraw/zinc/94/47/17/903944717.db2.gz TVWGAVURHFOKAQ-SNVBAGLBSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CC(=O)N(C)C ZINC001409657841 903949551 /nfs/dbraw/zinc/94/95/51/903949551.db2.gz WHCJDWFNQXCACA-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)CC(=O)N(C)C ZINC001409657841 903949567 /nfs/dbraw/zinc/94/95/67/903949567.db2.gz WHCJDWFNQXCACA-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001409682731 903954739 /nfs/dbraw/zinc/95/47/39/903954739.db2.gz NSXIIRMMQDXZTG-NEPJUHHUSA-N 2 1 284.404 -0.217 20 0 CBADMP COC[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001409695031 903960504 /nfs/dbraw/zinc/96/05/04/903960504.db2.gz XTNIRVDFKIGGAL-YPMHNXCESA-N 2 1 298.387 -0.365 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001409695031 903960518 /nfs/dbraw/zinc/96/05/18/903960518.db2.gz XTNIRVDFKIGGAL-YPMHNXCESA-N 2 1 298.387 -0.365 20 0 CBADMP CNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001409905467 903983203 /nfs/dbraw/zinc/98/32/03/903983203.db2.gz GPEVXTFIPZFVSE-NWDGAFQWSA-N 2 1 298.431 -0.101 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001410194967 904042602 /nfs/dbraw/zinc/04/26/02/904042602.db2.gz XNQNQZCQHVNWTQ-AVGNSLFASA-N 2 1 296.415 -0.299 20 0 CBADMP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001410230978 904050106 /nfs/dbraw/zinc/05/01/06/904050106.db2.gz KJGMBXYSTHUFSL-JOCQHMNTSA-N 2 1 298.431 -0.053 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC001410250320 904053824 /nfs/dbraw/zinc/05/38/24/904053824.db2.gz QCCHLHNNVYZYCA-UHFFFAOYSA-N 2 1 270.377 -0.654 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]([NH2+]CC(N)=O)C(C)C ZINC001410282517 904057496 /nfs/dbraw/zinc/05/74/96/904057496.db2.gz QYDWZBIXRSPDMQ-GFCCVEGCSA-N 2 1 295.387 -0.203 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CC[NH+](C)C ZINC001410286310 904058218 /nfs/dbraw/zinc/05/82/18/904058218.db2.gz ZFOVQOOSVMHZMS-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001410279873 904058273 /nfs/dbraw/zinc/05/82/73/904058273.db2.gz FLZXVJGARPEMAL-NWDGAFQWSA-N 2 1 284.404 -0.456 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001410417225 904094095 /nfs/dbraw/zinc/09/40/95/904094095.db2.gz DYUBNAVBODCDKA-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001410526848 904112737 /nfs/dbraw/zinc/11/27/37/904112737.db2.gz XUOYZWSQLFPNFI-QWRGUYRKSA-N 2 1 272.393 -0.363 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001410524623 904113156 /nfs/dbraw/zinc/11/31/56/904113156.db2.gz XGUJNJVHMZMBBN-LLVKDONJSA-N 2 1 297.407 -0.513 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001410524623 904113158 /nfs/dbraw/zinc/11/31/58/904113158.db2.gz XGUJNJVHMZMBBN-LLVKDONJSA-N 2 1 297.407 -0.513 20 0 CBADMP C[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001410565812 904128537 /nfs/dbraw/zinc/12/85/37/904128537.db2.gz HJHGHIAANWVBIL-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001410618061 904144803 /nfs/dbraw/zinc/14/48/03/904144803.db2.gz GVRCFPINJQMITA-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001410696978 904164072 /nfs/dbraw/zinc/16/40/72/904164072.db2.gz HNAAKUNRXVBTKS-NWDGAFQWSA-N 2 1 296.371 -0.356 20 0 CBADMP Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001410696978 904164086 /nfs/dbraw/zinc/16/40/86/904164086.db2.gz HNAAKUNRXVBTKS-NWDGAFQWSA-N 2 1 296.371 -0.356 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001410916635 904203550 /nfs/dbraw/zinc/20/35/50/904203550.db2.gz OYRYDLGFJHDZPJ-UHFFFAOYSA-N 2 1 298.431 -0.053 20 0 CBADMP CN(C[C@H](O)C[NH2+]CC1CCC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001411012454 904224386 /nfs/dbraw/zinc/22/43/86/904224386.db2.gz QYLJFXRHVYVKJM-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP CN(C[C@H](O)C[NH2+]CC1CCC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001411012454 904224400 /nfs/dbraw/zinc/22/44/00/904224400.db2.gz QYLJFXRHVYVKJM-KGLIPLIRSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001411182935 904259582 /nfs/dbraw/zinc/25/95/82/904259582.db2.gz WZUNOLGRAYTNBO-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001411182935 904259588 /nfs/dbraw/zinc/25/95/88/904259588.db2.gz WZUNOLGRAYTNBO-ZDUSSCGKSA-N 2 1 287.404 -0.520 20 0 CBADMP COCC[N@@H+](CCO)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001411223046 904269054 /nfs/dbraw/zinc/26/90/54/904269054.db2.gz HGFFPXKIZIJJBS-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP COCC[NH+](CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001411223046 904269065 /nfs/dbraw/zinc/26/90/65/904269065.db2.gz HGFFPXKIZIJJBS-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP COCC[NH+](CCO)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001411223046 904269078 /nfs/dbraw/zinc/26/90/78/904269078.db2.gz HGFFPXKIZIJJBS-CYBMUJFWSA-N 2 1 287.404 -0.472 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)C1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001411269122 904275803 /nfs/dbraw/zinc/27/58/03/904275803.db2.gz BJVRUUWNWLVFMQ-VOMCLLRMSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H]1NC(=O)N(CC[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1=O ZINC001460602139 914800579 /nfs/dbraw/zinc/80/05/79/914800579.db2.gz FMQNVVUENKPVKH-TUAOUCFPSA-N 2 1 280.372 -0.190 20 0 CBADMP C[C@@H]1NC(=O)N(CC[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1=O ZINC001460602139 914800598 /nfs/dbraw/zinc/80/05/98/914800598.db2.gz FMQNVVUENKPVKH-TUAOUCFPSA-N 2 1 280.372 -0.190 20 0 CBADMP C[C@@H]1NC(=O)N(CC[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1=O ZINC001460602139 914800620 /nfs/dbraw/zinc/80/06/20/914800620.db2.gz FMQNVVUENKPVKH-TUAOUCFPSA-N 2 1 280.372 -0.190 20 0 CBADMP C[C@H]1CN(C(=O)CC[N@H+]2CC[C@H](F)C2)CCN1CCO ZINC001412050478 904431697 /nfs/dbraw/zinc/43/16/97/904431697.db2.gz KYMADZXJQZUMRU-STQMWFEESA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@H]1CN(C(=O)CC[NH+]2CC[C@H](F)C2)CC[N@H+]1CCO ZINC001412050478 904431723 /nfs/dbraw/zinc/43/17/23/904431723.db2.gz KYMADZXJQZUMRU-STQMWFEESA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@H]1CN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CC[NH+]1CCO ZINC001412050478 904431734 /nfs/dbraw/zinc/43/17/34/904431734.db2.gz KYMADZXJQZUMRU-STQMWFEESA-N 2 1 287.379 -0.055 20 0 CBADMP C[C@H]1CN(C(=O)CC[N@H+]2CC[C@H](F)C2)CC[NH+]1CCO ZINC001412050478 904431746 /nfs/dbraw/zinc/43/17/46/904431746.db2.gz KYMADZXJQZUMRU-STQMWFEESA-N 2 1 287.379 -0.055 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)N2CC([NH2+]C3COC3)C2)cn1 ZINC001412740955 904693582 /nfs/dbraw/zinc/69/35/82/904693582.db2.gz XOGINUFSGURNTM-UHFFFAOYSA-N 2 1 293.371 -0.743 20 0 CBADMP C[NH+]1CCN(C2CN(C(=O)CC[N@H+]3CC[C@@H](F)C3)C2)CC1 ZINC001412895108 904789477 /nfs/dbraw/zinc/78/94/77/904789477.db2.gz HBDINSYLZODLPN-CYBMUJFWSA-N 2 1 298.406 -0.122 20 0 CBADMP CC[N@@H+](C)[C@@H]1CCN(C[C@@H](O)C[NH+](C)CCOC)C1 ZINC001460993526 914845655 /nfs/dbraw/zinc/84/56/55/914845655.db2.gz TXQJKEUROUCWTO-KGLIPLIRSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+](C)[C@@H]1CCN(C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC001460993526 914845674 /nfs/dbraw/zinc/84/56/74/914845674.db2.gz TXQJKEUROUCWTO-KGLIPLIRSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+](C)[C@@H]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC001460993526 914845695 /nfs/dbraw/zinc/84/56/95/914845695.db2.gz TXQJKEUROUCWTO-KGLIPLIRSA-N 2 1 273.421 -0.049 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(O)COC1 ZINC001413269097 904984441 /nfs/dbraw/zinc/98/44/41/904984441.db2.gz ZIEATIJAYQUKBY-NSHDSACASA-N 2 1 273.377 -0.864 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCN(C3CN(C)C3)CC2)CC[N@H+]1C ZINC001413546404 905121029 /nfs/dbraw/zinc/12/10/29/905121029.db2.gz QRDIDPFAHSXYNN-TZMCWYRMSA-N 2 1 280.416 -0.215 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](C)C3)CC2)CC[N@@H+]1C ZINC001413546404 905121036 /nfs/dbraw/zinc/12/10/36/905121036.db2.gz QRDIDPFAHSXYNN-TZMCWYRMSA-N 2 1 280.416 -0.215 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](C)C3)CC2)CC[N@H+]1C ZINC001413546404 905121039 /nfs/dbraw/zinc/12/10/39/905121039.db2.gz QRDIDPFAHSXYNN-TZMCWYRMSA-N 2 1 280.416 -0.215 20 0 CBADMP C[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC001413734439 905187231 /nfs/dbraw/zinc/18/72/31/905187231.db2.gz ZVPYTCJSIJVJFE-NWDGAFQWSA-N 2 1 271.409 -0.519 20 0 CBADMP C[NH+](C)C[C@@H]1CN(c2nc(N)nc(N)[nH+]2)C[C@H]1C[NH+](C)C ZINC001413900844 905264739 /nfs/dbraw/zinc/26/47/39/905264739.db2.gz UIMZOQCHSFGMGP-NXEZZACHSA-N 3 1 294.407 -0.788 20 0 CBADMP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCn1ccnc1 ZINC001413998581 905308640 /nfs/dbraw/zinc/30/86/40/905308640.db2.gz HTBKNHDUJASEAE-NSHDSACASA-N 2 1 280.328 -0.363 20 0 CBADMP COC(=O)CNC(=O)[C@@H]1CCCN1CCn1ccnc1 ZINC001413998581 905308658 /nfs/dbraw/zinc/30/86/58/905308658.db2.gz HTBKNHDUJASEAE-NSHDSACASA-N 2 1 280.328 -0.363 20 0 CBADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)C3(O)CCOCC3)C[C@]2(C)C1 ZINC001414037933 905333069 /nfs/dbraw/zinc/33/30/69/905333069.db2.gz TUNAMUWPPPALGU-MCIONIFRSA-N 2 1 284.400 -0.228 20 0 CBADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)C3(O)CCOCC3)C[C@]2(C)C1 ZINC001414037933 905333087 /nfs/dbraw/zinc/33/30/87/905333087.db2.gz TUNAMUWPPPALGU-MCIONIFRSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)C3(O)CCOCC3)C[C@]2(C)C1 ZINC001414037933 905333103 /nfs/dbraw/zinc/33/31/03/905333103.db2.gz TUNAMUWPPPALGU-MCIONIFRSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)C3(O)CCOCC3)C[C@]2(C)C1 ZINC001414037933 905333119 /nfs/dbraw/zinc/33/31/19/905333119.db2.gz TUNAMUWPPPALGU-MCIONIFRSA-N 2 1 284.400 -0.228 20 0 CBADMP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001414543075 905447591 /nfs/dbraw/zinc/44/75/91/905447591.db2.gz YCPSYRQPCBLKLK-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)C[NH+]1CCCC1 ZINC001416816749 905808986 /nfs/dbraw/zinc/80/89/86/905808986.db2.gz ZOUMOEJNQDZANH-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001416859941 905817001 /nfs/dbraw/zinc/81/70/01/905817001.db2.gz DXOZYCVZVQMQGF-UPJWGTAASA-N 2 1 298.431 -0.101 20 0 CBADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001416939221 905839898 /nfs/dbraw/zinc/83/98/98/905839898.db2.gz GDDATNVFWJOKLV-STQMWFEESA-N 2 1 298.431 -0.099 20 0 CBADMP COC[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001417742750 906036873 /nfs/dbraw/zinc/03/68/73/906036873.db2.gz AMZFPMWCFQSXFP-STQMWFEESA-N 2 1 287.404 -0.522 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001417801800 906057434 /nfs/dbraw/zinc/05/74/34/906057434.db2.gz MYZXMVODZXHSHG-RVMXOQNASA-N 2 1 296.415 -0.443 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001418042833 906145960 /nfs/dbraw/zinc/14/59/60/906145960.db2.gz PAJLKKJTTXTOKB-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001418068299 906156455 /nfs/dbraw/zinc/15/64/55/906156455.db2.gz NBGZWIOLINDHFG-CYDGBPFRSA-N 2 1 296.415 -0.158 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001418076145 906159251 /nfs/dbraw/zinc/15/92/51/906159251.db2.gz ZQUVMHZUEWQULK-JHJVBQTASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)OC)C2)C1 ZINC001418077010 906159884 /nfs/dbraw/zinc/15/98/84/906159884.db2.gz SNDUYLQWTAMBTR-XDQVBPFNSA-N 2 1 299.415 -0.021 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)OC)C2)C1 ZINC001418077010 906159891 /nfs/dbraw/zinc/15/98/91/906159891.db2.gz SNDUYLQWTAMBTR-XDQVBPFNSA-N 2 1 299.415 -0.021 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001418111390 906171939 /nfs/dbraw/zinc/17/19/39/906171939.db2.gz WZTZHMLDUPIEMG-TXEJJXNPSA-N 2 1 293.371 -0.306 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001418107044 906173330 /nfs/dbraw/zinc/17/33/30/906173330.db2.gz BVFFOGYXVOEMIJ-RWMBFGLXSA-N 2 1 296.415 -0.347 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418121419 906176379 /nfs/dbraw/zinc/17/63/79/906176379.db2.gz DOPRVFODBDYJKP-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001418208939 906206889 /nfs/dbraw/zinc/20/68/89/906206889.db2.gz DZPSVUHUSRWVBL-MNOVXSKESA-N 2 1 270.377 -0.689 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001418233286 906227989 /nfs/dbraw/zinc/22/79/89/906227989.db2.gz XJMFFIYJIDUMDV-GRYCIOLGSA-N 2 1 284.404 -0.443 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001418256925 906244502 /nfs/dbraw/zinc/24/45/02/906244502.db2.gz HWEISEHUIFOIMN-JTQLQIEISA-N 2 1 293.371 -0.436 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(N)=O)CC2 ZINC001418270733 906245728 /nfs/dbraw/zinc/24/57/28/906245728.db2.gz OCKCJMSVWXJZCS-KOLCDFICSA-N 2 1 293.371 -0.666 20 0 CBADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1nncn1C ZINC001418266801 906246881 /nfs/dbraw/zinc/24/68/81/906246881.db2.gz CCKUHKWPZSLIML-NSHDSACASA-N 2 1 294.403 -0.249 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001418378872 906298911 /nfs/dbraw/zinc/29/89/11/906298911.db2.gz ZUPHJJHPSKCLIB-GFCCVEGCSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC(N)=O)C1 ZINC001418378872 906298927 /nfs/dbraw/zinc/29/89/27/906298927.db2.gz ZUPHJJHPSKCLIB-GFCCVEGCSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001418378872 906298945 /nfs/dbraw/zinc/29/89/45/906298945.db2.gz ZUPHJJHPSKCLIB-GFCCVEGCSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001418378872 906298964 /nfs/dbraw/zinc/29/89/64/906298964.db2.gz ZUPHJJHPSKCLIB-GFCCVEGCSA-N 2 1 284.404 -0.265 20 0 CBADMP CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001418377203 906301970 /nfs/dbraw/zinc/30/19/70/906301970.db2.gz YJBKLKFRPPSMSF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001418377203 906301984 /nfs/dbraw/zinc/30/19/84/906301984.db2.gz YJBKLKFRPPSMSF-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC1CC1 ZINC001418398201 906307482 /nfs/dbraw/zinc/30/74/82/906307482.db2.gz UUEUGJZLPJVGIY-DGCLKSJQSA-N 2 1 296.415 -0.156 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCNC1=O ZINC001418467403 906349394 /nfs/dbraw/zinc/34/93/94/906349394.db2.gz BGNRULWJGGGUJL-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCNC1=O ZINC001418467403 906349406 /nfs/dbraw/zinc/34/94/06/906349406.db2.gz BGNRULWJGGGUJL-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC001418467403 906349417 /nfs/dbraw/zinc/34/94/17/906349417.db2.gz BGNRULWJGGGUJL-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CCNC1=O ZINC001418467403 906349425 /nfs/dbraw/zinc/34/94/25/906349425.db2.gz BGNRULWJGGGUJL-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001418497024 906369100 /nfs/dbraw/zinc/36/91/00/906369100.db2.gz VXCBJAPJSOXYPC-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001418497024 906369106 /nfs/dbraw/zinc/36/91/06/906369106.db2.gz VXCBJAPJSOXYPC-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP COC[C@@H](O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001418497024 906369124 /nfs/dbraw/zinc/36/91/24/906369124.db2.gz VXCBJAPJSOXYPC-OLZOCXBDSA-N 2 1 287.404 -0.617 20 0 CBADMP CCC[N@H+](C)CCC(=O)NCC[NH+](C)[C@@H]1CCN(C)C1=O ZINC001418517423 906385704 /nfs/dbraw/zinc/38/57/04/906385704.db2.gz WFILTDZNEPWRPJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@@H]1CCN(C)C1=O ZINC001418517423 906385721 /nfs/dbraw/zinc/38/57/21/906385721.db2.gz WFILTDZNEPWRPJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001418517423 906385740 /nfs/dbraw/zinc/38/57/40/906385740.db2.gz WFILTDZNEPWRPJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001418517423 906385754 /nfs/dbraw/zinc/38/57/54/906385754.db2.gz WFILTDZNEPWRPJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)C[C@H](C)O)C1 ZINC001418524402 906389271 /nfs/dbraw/zinc/38/92/71/906389271.db2.gz KPCLLZBVQANNSR-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)C[C@H](C)O)C1 ZINC001418524402 906389284 /nfs/dbraw/zinc/38/92/84/906389284.db2.gz KPCLLZBVQANNSR-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)C[C@H](C)O)C1 ZINC001418524402 906389297 /nfs/dbraw/zinc/38/92/97/906389297.db2.gz KPCLLZBVQANNSR-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)C[C@H](C)O)C1 ZINC001418524402 906389314 /nfs/dbraw/zinc/38/93/14/906389314.db2.gz KPCLLZBVQANNSR-RYUDHWBXSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C[C@@H](O)COC ZINC001418538484 906399895 /nfs/dbraw/zinc/39/98/95/906399895.db2.gz DPXURAFTLZUJQH-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@@H](O)COC ZINC001418538484 906399885 /nfs/dbraw/zinc/39/98/85/906399885.db2.gz DPXURAFTLZUJQH-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C[C@@H](O)COC ZINC001418538484 906399907 /nfs/dbraw/zinc/39/99/07/906399907.db2.gz DPXURAFTLZUJQH-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001418649091 906436981 /nfs/dbraw/zinc/43/69/81/906436981.db2.gz MLLQOQNPJDPJSM-TXEJJXNPSA-N 2 1 293.371 -0.578 20 0 CBADMP CCC[N@H+](CCNC(=O)Cc1cncn1C)CC(N)=O ZINC001418730408 906457338 /nfs/dbraw/zinc/45/73/38/906457338.db2.gz YPLUAWSSAGCJOS-UHFFFAOYSA-N 2 1 281.360 -0.724 20 0 CBADMP CCC[N@@H+](CCNC(=O)Cc1cncn1C)CC(N)=O ZINC001418730408 906457348 /nfs/dbraw/zinc/45/73/48/906457348.db2.gz YPLUAWSSAGCJOS-UHFFFAOYSA-N 2 1 281.360 -0.724 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001418809766 906480595 /nfs/dbraw/zinc/48/05/95/906480595.db2.gz GNJFQTPRNJUSJR-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001418809766 906480599 /nfs/dbraw/zinc/48/05/99/906480599.db2.gz GNJFQTPRNJUSJR-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418899089 906508372 /nfs/dbraw/zinc/50/83/72/906508372.db2.gz ASSRMDQGLAPMTC-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP C[NH+](C)CC1(C(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001418901832 906509535 /nfs/dbraw/zinc/50/95/35/906509535.db2.gz LIFDMFQLQSCEIE-GFCCVEGCSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418905454 906510470 /nfs/dbraw/zinc/51/04/70/906510470.db2.gz SCWAUKVVZYRSRT-NEPJUHHUSA-N 2 1 284.404 -0.360 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001418934852 906520966 /nfs/dbraw/zinc/52/09/66/906520966.db2.gz MFABOODNRZANMX-OLZOCXBDSA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001418934852 906520973 /nfs/dbraw/zinc/52/09/73/906520973.db2.gz MFABOODNRZANMX-OLZOCXBDSA-N 2 1 296.415 -0.406 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001418934852 906520980 /nfs/dbraw/zinc/52/09/80/906520980.db2.gz MFABOODNRZANMX-OLZOCXBDSA-N 2 1 296.415 -0.406 20 0 CBADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](C)CC(N)=O)CC1)[NH+](C)C ZINC001418949242 906521993 /nfs/dbraw/zinc/52/19/93/906521993.db2.gz XPSRGMFJEPTERZ-ZDUSSCGKSA-N 2 1 298.431 -0.018 20 0 CBADMP C[C@@H](O)CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001419013325 906562844 /nfs/dbraw/zinc/56/28/44/906562844.db2.gz DCAFRLAHSQSSRO-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@@H](O)CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001419013325 906562855 /nfs/dbraw/zinc/56/28/55/906562855.db2.gz DCAFRLAHSQSSRO-TZMCWYRMSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001419019923 906567096 /nfs/dbraw/zinc/56/70/96/906567096.db2.gz BBDBHDHZLAXODB-CYBMUJFWSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001419019923 906567106 /nfs/dbraw/zinc/56/71/06/906567106.db2.gz BBDBHDHZLAXODB-CYBMUJFWSA-N 2 1 296.415 -0.217 20 0 CBADMP CCN(C)C(=O)CN1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001419037114 906571128 /nfs/dbraw/zinc/57/11/28/906571128.db2.gz FCCSASZCWFJQSP-ZDUSSCGKSA-N 2 1 296.415 -0.536 20 0 CBADMP CCCNC(=O)CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001419037084 906571382 /nfs/dbraw/zinc/57/13/82/906571382.db2.gz DCCAWBHDPWUDRU-CYBMUJFWSA-N 2 1 296.415 -0.488 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001419091444 906592937 /nfs/dbraw/zinc/59/29/37/906592937.db2.gz RQSPSFSXMGGMBK-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001419091444 906592944 /nfs/dbraw/zinc/59/29/44/906592944.db2.gz RQSPSFSXMGGMBK-CHWSQXEVSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001419105030 906595196 /nfs/dbraw/zinc/59/51/96/906595196.db2.gz DYXFGUDMTOAKLS-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001419105030 906595202 /nfs/dbraw/zinc/59/52/02/906595202.db2.gz DYXFGUDMTOAKLS-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001419093414 906597536 /nfs/dbraw/zinc/59/75/36/906597536.db2.gz DMTMZXCVQBURBZ-CHWSQXEVSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001419173068 906625929 /nfs/dbraw/zinc/62/59/29/906625929.db2.gz DGLOVVDJVDCBNO-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001419173068 906625934 /nfs/dbraw/zinc/62/59/34/906625934.db2.gz DGLOVVDJVDCBNO-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+][C@H](C)C(=O)NC ZINC001419224592 906640576 /nfs/dbraw/zinc/64/05/76/906640576.db2.gz VKXPTKUDQLURIZ-NEPJUHHUSA-N 2 1 295.387 -0.190 20 0 CBADMP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001419219780 906640773 /nfs/dbraw/zinc/64/07/73/906640773.db2.gz OYRWVKLMYFIASU-WDEREUQCSA-N 2 1 297.407 -0.465 20 0 CBADMP C[N@H+](CCO)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001419323979 906662874 /nfs/dbraw/zinc/66/28/74/906662874.db2.gz UTRKNOZHIZZJLH-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP C[N@@H+](CCO)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001419323979 906662883 /nfs/dbraw/zinc/66/28/83/906662883.db2.gz UTRKNOZHIZZJLH-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCO)C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001419323979 906662888 /nfs/dbraw/zinc/66/28/88/906662888.db2.gz UTRKNOZHIZZJLH-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP C[NH+](CCO)C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001419323979 906662901 /nfs/dbraw/zinc/66/29/01/906662901.db2.gz UTRKNOZHIZZJLH-KGLIPLIRSA-N 2 1 299.415 -0.520 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001419394629 906675987 /nfs/dbraw/zinc/67/59/87/906675987.db2.gz XUFRMNRRYGLEIE-JHJVBQTASA-N 2 1 296.415 -0.158 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(N)=O ZINC001419421193 906682156 /nfs/dbraw/zinc/68/21/56/906682156.db2.gz GBRMOMHPMZVILQ-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001419421160 906683124 /nfs/dbraw/zinc/68/31/24/906683124.db2.gz BUKJPBOCARLDRC-IJLUTSLNSA-N 2 1 282.388 -0.737 20 0 CBADMP CC[C@@H]([NH2+]C[C@H](C)CNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001419490274 906704427 /nfs/dbraw/zinc/70/44/27/906704427.db2.gz XRTZZUBIXQILTQ-CMPLNLGQSA-N 2 1 295.387 -0.203 20 0 CBADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001419498448 906706025 /nfs/dbraw/zinc/70/60/25/906706025.db2.gz UHANCAGGYSLMJB-RFQIPJPRSA-N 2 1 299.415 -0.285 20 0 CBADMP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001419516826 906713097 /nfs/dbraw/zinc/71/30/97/906713097.db2.gz WLTADIXUFQGGIT-CHWSQXEVSA-N 2 1 298.431 -0.194 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001419538304 906718952 /nfs/dbraw/zinc/71/89/52/906718952.db2.gz FPFORSKQNGXTHZ-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001419623958 906741827 /nfs/dbraw/zinc/74/18/27/906741827.db2.gz SPDCMOAMANXQQE-UHFFFAOYSA-N 2 1 284.404 -0.168 20 0 CBADMP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001419680287 906765684 /nfs/dbraw/zinc/76/56/84/906765684.db2.gz FSSADUPVGBVBKT-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001419683933 906766055 /nfs/dbraw/zinc/76/60/55/906766055.db2.gz QICHANAOQFQKFZ-PNESKVBLSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)CC[NH+](C)C ZINC001419707681 906774503 /nfs/dbraw/zinc/77/45/03/906774503.db2.gz JEQACODOXVSFSW-NSHDSACASA-N 2 1 282.392 -0.297 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001419708782 906778013 /nfs/dbraw/zinc/77/80/13/906778013.db2.gz KGRLTABZCZLHRY-MNOVXSKESA-N 2 1 280.376 -0.496 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001419708782 906778022 /nfs/dbraw/zinc/77/80/22/906778022.db2.gz KGRLTABZCZLHRY-MNOVXSKESA-N 2 1 280.376 -0.496 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1nnnn1C ZINC001419751088 906801093 /nfs/dbraw/zinc/80/10/93/906801093.db2.gz GPCUAUGVPDYDMJ-LLVKDONJSA-N 2 1 297.407 -0.512 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1nnnn1C ZINC001419751088 906801108 /nfs/dbraw/zinc/80/11/08/906801108.db2.gz GPCUAUGVPDYDMJ-LLVKDONJSA-N 2 1 297.407 -0.512 20 0 CBADMP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001419848543 906833055 /nfs/dbraw/zinc/83/30/55/906833055.db2.gz JAXOEUWGHUBNKT-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC ZINC001419928686 906860570 /nfs/dbraw/zinc/86/05/70/906860570.db2.gz AGAXGJBNXYMRFV-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001420145434 906972876 /nfs/dbraw/zinc/97/28/76/906972876.db2.gz KHQJERIHPMVDPG-ZDUSSCGKSA-N 2 1 296.415 -0.931 20 0 CBADMP Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420190270 906998498 /nfs/dbraw/zinc/99/84/98/906998498.db2.gz LQIMGZDFXVKIDD-NWDGAFQWSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420190270 906998527 /nfs/dbraw/zinc/99/85/27/906998527.db2.gz LQIMGZDFXVKIDD-NWDGAFQWSA-N 2 1 296.371 -0.499 20 0 CBADMP CO[C@@H](C)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001420194248 907009781 /nfs/dbraw/zinc/00/97/81/907009781.db2.gz GSFAUESVMVZIPO-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP CO[C@@H](C)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001420194248 907009795 /nfs/dbraw/zinc/00/97/95/907009795.db2.gz GSFAUESVMVZIPO-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP CO[C@@H](C)C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001420194248 907009811 /nfs/dbraw/zinc/00/98/11/907009811.db2.gz GSFAUESVMVZIPO-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP CO[C@@H](C)C[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001420194248 907009831 /nfs/dbraw/zinc/00/98/31/907009831.db2.gz GSFAUESVMVZIPO-RYUDHWBXSA-N 2 1 273.377 -0.600 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001420308856 907092638 /nfs/dbraw/zinc/09/26/38/907092638.db2.gz GQNGVZFRXYWQNT-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001420308856 907092649 /nfs/dbraw/zinc/09/26/49/907092649.db2.gz GQNGVZFRXYWQNT-VXGBXAGGSA-N 2 1 294.403 -0.106 20 0 CBADMP C[C@H](C[NH2+][C@H](C)c1nncn1C)NC(=O)CC[NH+](C)C ZINC001420337242 907108277 /nfs/dbraw/zinc/10/82/77/907108277.db2.gz ICBFVKJPKHVNHA-GHMZBOCLSA-N 2 1 282.392 -0.078 20 0 CBADMP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001420336542 907109843 /nfs/dbraw/zinc/10/98/43/907109843.db2.gz BFTJRTAPXJSTEQ-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)CCN1CCCC1=O)[NH+](C)C ZINC001420334691 907110071 /nfs/dbraw/zinc/11/00/71/907110071.db2.gz VQZMIDAUNXUWGS-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC ZINC001420376418 907126743 /nfs/dbraw/zinc/12/67/43/907126743.db2.gz JWGYPFPTPFFRMM-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)[C@@H](C)C(N)=O ZINC001420403487 907148373 /nfs/dbraw/zinc/14/83/73/907148373.db2.gz SYNUVZOHQFVCEF-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)[C@@H](C)C(N)=O ZINC001420403487 907148384 /nfs/dbraw/zinc/14/83/84/907148384.db2.gz SYNUVZOHQFVCEF-LBPRGKRZSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)N1CCC1 ZINC001420412892 907150458 /nfs/dbraw/zinc/15/04/58/907150458.db2.gz HKOQKKNAICMJNK-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)N1CCC1 ZINC001420412892 907150463 /nfs/dbraw/zinc/15/04/63/907150463.db2.gz HKOQKKNAICMJNK-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)N1CCC1 ZINC001420412892 907150469 /nfs/dbraw/zinc/15/04/69/907150469.db2.gz HKOQKKNAICMJNK-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)N1CCC1 ZINC001420412892 907150473 /nfs/dbraw/zinc/15/04/73/907150473.db2.gz HKOQKKNAICMJNK-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H]1CCCNC1=O ZINC001420445573 907164124 /nfs/dbraw/zinc/16/41/24/907164124.db2.gz XIEVTRQHROFYLQ-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)CC(=O)N1CCC1 ZINC001420450933 907168888 /nfs/dbraw/zinc/16/88/88/907168888.db2.gz KTDGJVSKJMQBLP-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)CC(=O)N1CCC1 ZINC001420450933 907168893 /nfs/dbraw/zinc/16/88/93/907168893.db2.gz KTDGJVSKJMQBLP-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)CC(=O)N1CCC1 ZINC001420450933 907168899 /nfs/dbraw/zinc/16/88/99/907168899.db2.gz KTDGJVSKJMQBLP-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)CC(=O)N1CCC1 ZINC001420450933 907168906 /nfs/dbraw/zinc/16/89/06/907168906.db2.gz KTDGJVSKJMQBLP-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001420479565 907178222 /nfs/dbraw/zinc/17/82/22/907178222.db2.gz RHESFUWCVGYKEZ-NSHDSACASA-N 2 1 295.387 -0.153 20 0 CBADMP CCN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420509643 907189093 /nfs/dbraw/zinc/18/90/93/907189093.db2.gz DVOLZKQCBDFTFW-QWHCGFSZSA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420571879 907220706 /nfs/dbraw/zinc/22/07/06/907220706.db2.gz ZPQJZJREENETPO-RYUDHWBXSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001420571879 907220719 /nfs/dbraw/zinc/22/07/19/907220719.db2.gz ZPQJZJREENETPO-RYUDHWBXSA-N 2 1 282.388 -0.748 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001420571879 907220735 /nfs/dbraw/zinc/22/07/35/907220735.db2.gz ZPQJZJREENETPO-RYUDHWBXSA-N 2 1 282.388 -0.748 20 0 CBADMP CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001420562938 907221064 /nfs/dbraw/zinc/22/10/64/907221064.db2.gz IRBIRLXZIALESI-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001420562938 907221081 /nfs/dbraw/zinc/22/10/81/907221081.db2.gz IRBIRLXZIALESI-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001420562938 907221103 /nfs/dbraw/zinc/22/11/03/907221103.db2.gz IRBIRLXZIALESI-STQMWFEESA-N 2 1 296.415 -0.488 20 0 CBADMP C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001420613323 907242754 /nfs/dbraw/zinc/24/27/54/907242754.db2.gz FLUNEMPSWAKTBJ-YPMHNXCESA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001420613323 907242770 /nfs/dbraw/zinc/24/27/70/907242770.db2.gz FLUNEMPSWAKTBJ-YPMHNXCESA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001420882632 907334561 /nfs/dbraw/zinc/33/45/61/907334561.db2.gz BZCKRIAQQIDTPA-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCC[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001420882632 907334575 /nfs/dbraw/zinc/33/45/75/907334575.db2.gz BZCKRIAQQIDTPA-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001420882632 907334590 /nfs/dbraw/zinc/33/45/90/907334590.db2.gz BZCKRIAQQIDTPA-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(N)=O ZINC001420939942 907364187 /nfs/dbraw/zinc/36/41/87/907364187.db2.gz IOQYPEYTLWQGNT-HBNTYKKESA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001420937961 907367442 /nfs/dbraw/zinc/36/74/42/907367442.db2.gz GKIBGBNJELZMEP-RYUDHWBXSA-N 2 1 284.404 -0.408 20 0 CBADMP C[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001420952272 907369468 /nfs/dbraw/zinc/36/94/68/907369468.db2.gz WXQJNBZLANWNDG-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+][C@H]2CCCNC2=O)CC1 ZINC001421003364 907388020 /nfs/dbraw/zinc/38/80/20/907388020.db2.gz CDKLQQTYFFIIHY-LBPRGKRZSA-N 2 1 296.415 -0.156 20 0 CBADMP C[N@@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001421121252 907433351 /nfs/dbraw/zinc/43/33/51/907433351.db2.gz POEXRXJSGSCQGN-LBPRGKRZSA-N 2 1 282.388 -0.463 20 0 CBADMP CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421125688 907440084 /nfs/dbraw/zinc/44/00/84/907440084.db2.gz LJZFTDHPRSWRNN-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001421194217 907456989 /nfs/dbraw/zinc/45/69/89/907456989.db2.gz SOJWXARRMMFCJV-CYBMUJFWSA-N 2 1 296.415 -0.395 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001421194217 907457000 /nfs/dbraw/zinc/45/70/00/907457000.db2.gz SOJWXARRMMFCJV-CYBMUJFWSA-N 2 1 296.415 -0.395 20 0 CBADMP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001421257103 907475191 /nfs/dbraw/zinc/47/51/91/907475191.db2.gz VBVYCYXEQOGOSG-IUODEOHRSA-N 2 1 296.415 -0.488 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001421276622 907480283 /nfs/dbraw/zinc/48/02/83/907480283.db2.gz VTEPMBCDJSVHHE-FRRDWIJNSA-N 2 1 296.415 -0.348 20 0 CBADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001421276622 907480289 /nfs/dbraw/zinc/48/02/89/907480289.db2.gz VTEPMBCDJSVHHE-FRRDWIJNSA-N 2 1 296.415 -0.348 20 0 CBADMP CN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001421333762 907493475 /nfs/dbraw/zinc/49/34/75/907493475.db2.gz DRKZMKIQTLSTQE-ZDUSSCGKSA-N 2 1 296.415 -0.120 20 0 CBADMP CN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001421333762 907493482 /nfs/dbraw/zinc/49/34/82/907493482.db2.gz DRKZMKIQTLSTQE-ZDUSSCGKSA-N 2 1 296.415 -0.120 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001421356387 907504303 /nfs/dbraw/zinc/50/43/03/907504303.db2.gz ZHBGFFKCDCJYNA-UKRRQHHQSA-N 2 1 299.415 -0.596 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001421356387 907504313 /nfs/dbraw/zinc/50/43/13/907504313.db2.gz ZHBGFFKCDCJYNA-UKRRQHHQSA-N 2 1 299.415 -0.596 20 0 CBADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001421356387 907504323 /nfs/dbraw/zinc/50/43/23/907504323.db2.gz ZHBGFFKCDCJYNA-UKRRQHHQSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@@H+](CC(=O)NC[C@@]1(O)CC[NH+](CCO)C1)C1CCC1 ZINC001421370263 907508488 /nfs/dbraw/zinc/50/84/88/907508488.db2.gz RRYGQZAEHRWUER-AWEZNQCLSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1)C1CCC1 ZINC001421370263 907508496 /nfs/dbraw/zinc/50/84/96/907508496.db2.gz RRYGQZAEHRWUER-AWEZNQCLSA-N 2 1 285.388 -0.984 20 0 CBADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)C1CCC1 ZINC001421370263 907508511 /nfs/dbraw/zinc/50/85/11/907508511.db2.gz RRYGQZAEHRWUER-AWEZNQCLSA-N 2 1 285.388 -0.984 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC3CC3)C2)C1 ZINC001421383850 907515523 /nfs/dbraw/zinc/51/55/23/907515523.db2.gz DIEMDDOPPRQIKZ-HIFRSBDPSA-N 2 1 281.400 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CC3CC3)C2)C1 ZINC001421383850 907515537 /nfs/dbraw/zinc/51/55/37/907515537.db2.gz DIEMDDOPPRQIKZ-HIFRSBDPSA-N 2 1 281.400 -0.099 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC3CC3)C2)C1 ZINC001421383850 907515547 /nfs/dbraw/zinc/51/55/47/907515547.db2.gz DIEMDDOPPRQIKZ-HIFRSBDPSA-N 2 1 281.400 -0.099 20 0 CBADMP CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001421393336 907522357 /nfs/dbraw/zinc/52/23/57/907522357.db2.gz RZFZELYYXRPEPQ-HIFRSBDPSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]CC(=O)N(C)C ZINC001421488386 907568363 /nfs/dbraw/zinc/56/83/63/907568363.db2.gz HVWSCQNDHHNOET-GFCCVEGCSA-N 2 1 295.387 -0.236 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(=O)NC)C1 ZINC001421548767 907578624 /nfs/dbraw/zinc/57/86/24/907578624.db2.gz DNGHQVMQZOXXDM-QWHCGFSZSA-N 2 1 298.431 -0.242 20 0 CBADMP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001421708152 907623318 /nfs/dbraw/zinc/62/33/18/907623318.db2.gz RVGLLLPVGOGVES-YNEHKIRRSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nncn1C ZINC001421765378 907636548 /nfs/dbraw/zinc/63/65/48/907636548.db2.gz FTJGXBRKWMAPJV-VXGBXAGGSA-N 2 1 294.403 -0.391 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001421759606 907637060 /nfs/dbraw/zinc/63/70/60/907637060.db2.gz OMRWNQQAMCJKMM-NEPJUHHUSA-N 2 1 284.404 -0.441 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001421806305 907647598 /nfs/dbraw/zinc/64/75/98/907647598.db2.gz SYNJQOZMBYIRRS-TXEJJXNPSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001421864640 907662769 /nfs/dbraw/zinc/66/27/69/907662769.db2.gz FFNFBAYYTUBEBN-LLVKDONJSA-N 2 1 272.393 -0.408 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421989694 907698110 /nfs/dbraw/zinc/69/81/10/907698110.db2.gz MFQGJNSGBRIAGX-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421989694 907698118 /nfs/dbraw/zinc/69/81/18/907698118.db2.gz MFQGJNSGBRIAGX-VXGBXAGGSA-N 2 1 294.403 -0.297 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001421984636 907698936 /nfs/dbraw/zinc/69/89/36/907698936.db2.gz GXHYKKNQMZUALS-ZFWWWQNUSA-N 2 1 299.415 -0.736 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001421984613 907699173 /nfs/dbraw/zinc/69/91/73/907699173.db2.gz GXHYKKNQMZUALS-DZGCQCFKSA-N 2 1 299.415 -0.736 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001422029822 907702304 /nfs/dbraw/zinc/70/23/04/907702304.db2.gz MJVHITCFRUOAQF-RYUDHWBXSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC)C1 ZINC001422057662 907709438 /nfs/dbraw/zinc/70/94/38/907709438.db2.gz YBIGZCOJDSZFEA-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001422057901 907709940 /nfs/dbraw/zinc/70/99/40/907709940.db2.gz YBIGZCOJDSZFEA-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP CC[C@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001502205573 921347580 /nfs/dbraw/zinc/34/75/80/921347580.db2.gz GZELUMCKVNDZHJ-JHJVBQTASA-N 2 1 298.431 -0.101 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@H+](C)[C@H](CC)C(N)=O)[NH+](C)C ZINC001422174086 907736145 /nfs/dbraw/zinc/73/61/45/907736145.db2.gz JRVXFDYMGQDSKA-VXGBXAGGSA-N 2 1 286.420 -0.019 20 0 CBADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@H](CC)C(N)=O)[NH+](C)C ZINC001422174086 907736155 /nfs/dbraw/zinc/73/61/55/907736155.db2.gz JRVXFDYMGQDSKA-VXGBXAGGSA-N 2 1 286.420 -0.019 20 0 CBADMP CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001422195803 907744508 /nfs/dbraw/zinc/74/45/08/907744508.db2.gz IAEYMONBTNSXLH-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001422195803 907744517 /nfs/dbraw/zinc/74/45/17/907744517.db2.gz IAEYMONBTNSXLH-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001422230406 907753814 /nfs/dbraw/zinc/75/38/14/907753814.db2.gz IQAHIXBMHHJEQW-LLVKDONJSA-N 2 1 272.393 -0.409 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O ZINC001422230406 907753790 /nfs/dbraw/zinc/75/37/90/907753790.db2.gz IQAHIXBMHHJEQW-LLVKDONJSA-N 2 1 272.393 -0.409 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O ZINC001422230406 907753797 /nfs/dbraw/zinc/75/37/97/907753797.db2.gz IQAHIXBMHHJEQW-LLVKDONJSA-N 2 1 272.393 -0.409 20 0 CBADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001422230406 907753806 /nfs/dbraw/zinc/75/38/06/907753806.db2.gz IQAHIXBMHHJEQW-LLVKDONJSA-N 2 1 272.393 -0.409 20 0 CBADMP CN(C)C(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001422252417 907756840 /nfs/dbraw/zinc/75/68/40/907756840.db2.gz SUFBFSRKSXDBFW-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001422252417 907756852 /nfs/dbraw/zinc/75/68/52/907756852.db2.gz SUFBFSRKSXDBFW-ZDUSSCGKSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001422238521 907757580 /nfs/dbraw/zinc/75/75/80/907757580.db2.gz RMCQDGYWPGETTC-QWHCGFSZSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001422238521 907757592 /nfs/dbraw/zinc/75/75/92/907757592.db2.gz RMCQDGYWPGETTC-QWHCGFSZSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422238521 907757603 /nfs/dbraw/zinc/75/76/03/907757603.db2.gz RMCQDGYWPGETTC-QWHCGFSZSA-N 2 1 298.431 -0.195 20 0 CBADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422238521 907757612 /nfs/dbraw/zinc/75/76/12/907757612.db2.gz RMCQDGYWPGETTC-QWHCGFSZSA-N 2 1 298.431 -0.195 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001422241518 907759813 /nfs/dbraw/zinc/75/98/13/907759813.db2.gz GDAZJOAPMFJNGX-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001422241518 907759820 /nfs/dbraw/zinc/75/98/20/907759820.db2.gz GDAZJOAPMFJNGX-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001422262847 907765103 /nfs/dbraw/zinc/76/51/03/907765103.db2.gz CFUACFLCBORBRK-RYUDHWBXSA-N 2 1 284.404 -0.312 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nccs1 ZINC001422264827 907766199 /nfs/dbraw/zinc/76/61/99/907766199.db2.gz LVZKMBUXNQIGBZ-QWRGUYRKSA-N 2 1 298.412 -0.196 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nccs1 ZINC001422264827 907766209 /nfs/dbraw/zinc/76/62/09/907766209.db2.gz LVZKMBUXNQIGBZ-QWRGUYRKSA-N 2 1 298.412 -0.196 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001422262852 907767149 /nfs/dbraw/zinc/76/71/49/907767149.db2.gz CFUACFLCBORBRK-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)nc1 ZINC001422348922 907815052 /nfs/dbraw/zinc/81/50/52/907815052.db2.gz PPBVDUCQVVPOMQ-LBPRGKRZSA-N 2 1 295.387 -0.697 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001422416219 907848529 /nfs/dbraw/zinc/84/85/29/907848529.db2.gz LZIHPUYUMHESEW-LBPRGKRZSA-N 2 1 284.360 -0.419 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001422416219 907848539 /nfs/dbraw/zinc/84/85/39/907848539.db2.gz LZIHPUYUMHESEW-LBPRGKRZSA-N 2 1 284.360 -0.419 20 0 CBADMP Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001422427298 907854434 /nfs/dbraw/zinc/85/44/34/907854434.db2.gz SHJGQCPVWNVZQM-LBPRGKRZSA-N 2 1 298.387 -0.110 20 0 CBADMP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001422449177 907864200 /nfs/dbraw/zinc/86/42/00/907864200.db2.gz JQLCFNCCTGVAJN-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)CC[N@@H+](C)CC ZINC001422456657 907866209 /nfs/dbraw/zinc/86/62/09/907866209.db2.gz ZJWCTMPNPVABED-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422458131 907867457 /nfs/dbraw/zinc/86/74/57/907867457.db2.gz JNIGZSDDYTYADP-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422458133 907869310 /nfs/dbraw/zinc/86/93/10/907869310.db2.gz JNIGZSDDYTYADP-QWHCGFSZSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001422537376 907915285 /nfs/dbraw/zinc/91/52/85/907915285.db2.gz ZDQVBEBWCBXCJZ-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001422556399 907917651 /nfs/dbraw/zinc/91/76/51/907917651.db2.gz ZKLDBTGKXJBTQC-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@@H+](C)[C@H]1CCNC1=O ZINC001422556390 907919209 /nfs/dbraw/zinc/91/92/09/907919209.db2.gz ZKLDBTGKXJBTQC-NEPJUHHUSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001422552141 907920197 /nfs/dbraw/zinc/92/01/97/907920197.db2.gz MPOOGFKARPTOOR-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001422552141 907920207 /nfs/dbraw/zinc/92/02/07/907920207.db2.gz MPOOGFKARPTOOR-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)CC(=O)N(C)C ZINC001422569521 907924207 /nfs/dbraw/zinc/92/42/07/907924207.db2.gz UKTACQKTMDZHED-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@@H+](C)CC(=O)N(C)C ZINC001422569521 907924215 /nfs/dbraw/zinc/92/42/15/907924215.db2.gz UKTACQKTMDZHED-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[N@@H+](C)CCO ZINC001422603956 907942751 /nfs/dbraw/zinc/94/27/51/907942751.db2.gz QRAHBHXOSZVZNP-STQMWFEESA-N 2 1 287.404 -0.617 20 0 CBADMP CNC(=O)CN1CC([C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001422758478 907994986 /nfs/dbraw/zinc/99/49/86/907994986.db2.gz XUHCMBDRIWPGJX-RYUDHWBXSA-N 2 1 296.415 -0.489 20 0 CBADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001422812054 908020675 /nfs/dbraw/zinc/02/06/75/908020675.db2.gz PNNNHDCWNCFXLX-GMTAPVOTSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001422812054 908020690 /nfs/dbraw/zinc/02/06/90/908020690.db2.gz PNNNHDCWNCFXLX-GMTAPVOTSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001422812054 908020708 /nfs/dbraw/zinc/02/07/08/908020708.db2.gz PNNNHDCWNCFXLX-GMTAPVOTSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@H](C[NH+](C)CC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001422812054 908020725 /nfs/dbraw/zinc/02/07/25/908020725.db2.gz PNNNHDCWNCFXLX-GMTAPVOTSA-N 2 1 270.377 -0.752 20 0 CBADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001422813766 908024198 /nfs/dbraw/zinc/02/41/98/908024198.db2.gz VLPMLXLBSXUWBE-JQWIXIFHSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001422813766 908024213 /nfs/dbraw/zinc/02/42/13/908024213.db2.gz VLPMLXLBSXUWBE-JQWIXIFHSA-N 2 1 282.388 -0.750 20 0 CBADMP 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 908030117 /nfs/dbraw/zinc/03/01/17/908030117.db2.gz IFACEUWIYGEDKO-RVMXOQNASA-N 2 1 296.415 -0.633 20 0 CBADMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001422884594 908042199 /nfs/dbraw/zinc/04/21/99/908042199.db2.gz KUVAQUAJMAQDSB-LLVKDONJSA-N 2 1 272.393 -0.537 20 0 CBADMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001422884594 908042204 /nfs/dbraw/zinc/04/22/04/908042204.db2.gz KUVAQUAJMAQDSB-LLVKDONJSA-N 2 1 272.393 -0.537 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001422889666 908047758 /nfs/dbraw/zinc/04/77/58/908047758.db2.gz VJJWAPNLYDFYTE-RYUDHWBXSA-N 2 1 284.404 -0.395 20 0 CBADMP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001422909486 908050857 /nfs/dbraw/zinc/05/08/57/908050857.db2.gz GBWQHNISUQHRFW-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001422909486 908050872 /nfs/dbraw/zinc/05/08/72/908050872.db2.gz GBWQHNISUQHRFW-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422909486 908050886 /nfs/dbraw/zinc/05/08/86/908050886.db2.gz GBWQHNISUQHRFW-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422909486 908050899 /nfs/dbraw/zinc/05/08/99/908050899.db2.gz GBWQHNISUQHRFW-NEPJUHHUSA-N 2 1 284.404 -0.489 20 0 CBADMP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001422931220 908056111 /nfs/dbraw/zinc/05/61/11/908056111.db2.gz UBTBDOYMUFXKFN-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001422931220 908056117 /nfs/dbraw/zinc/05/61/17/908056117.db2.gz UBTBDOYMUFXKFN-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422931220 908056125 /nfs/dbraw/zinc/05/61/25/908056125.db2.gz UBTBDOYMUFXKFN-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422931220 908056130 /nfs/dbraw/zinc/05/61/30/908056130.db2.gz UBTBDOYMUFXKFN-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+](C)CCCO)C1 ZINC001422919345 908058019 /nfs/dbraw/zinc/05/80/19/908058019.db2.gz BRYZTMVQXFUDQY-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+](C)CCCO)C1 ZINC001422919345 908058036 /nfs/dbraw/zinc/05/80/36/908058036.db2.gz BRYZTMVQXFUDQY-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCCO)C1 ZINC001422919345 908058053 /nfs/dbraw/zinc/05/80/53/908058053.db2.gz BRYZTMVQXFUDQY-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CCCO)C1 ZINC001422919345 908058070 /nfs/dbraw/zinc/05/80/70/908058070.db2.gz BRYZTMVQXFUDQY-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001422925038 908058985 /nfs/dbraw/zinc/05/89/85/908058985.db2.gz ABUBEXBZLTUZHS-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001422925038 908059000 /nfs/dbraw/zinc/05/90/00/908059000.db2.gz ABUBEXBZLTUZHS-GHMZBOCLSA-N 2 1 270.377 -0.608 20 0 CBADMP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001422986884 908070968 /nfs/dbraw/zinc/07/09/68/908070968.db2.gz MSSXIEJFRFRPMJ-CHWSQXEVSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001423068092 908097503 /nfs/dbraw/zinc/09/75/03/908097503.db2.gz YIXZSAYXTHVZSL-NSHDSACASA-N 2 1 270.377 -0.704 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001423182738 908136831 /nfs/dbraw/zinc/13/68/31/908136831.db2.gz TZFCLOCNSHBEBM-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CC(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001423193087 908144867 /nfs/dbraw/zinc/14/48/67/908144867.db2.gz HLYVJQLQLYFAHE-RYUDHWBXSA-N 2 1 273.377 -0.960 20 0 CBADMP CC(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001423193087 908144876 /nfs/dbraw/zinc/14/48/76/908144876.db2.gz HLYVJQLQLYFAHE-RYUDHWBXSA-N 2 1 273.377 -0.960 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+][C@H](C)C(=O)NC)CC1 ZINC001423288232 908191385 /nfs/dbraw/zinc/19/13/85/908191385.db2.gz HUOAZPSCSMTAHA-LLVKDONJSA-N 2 1 284.404 -0.299 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001423307728 908197657 /nfs/dbraw/zinc/19/76/57/908197657.db2.gz QTZGONKBPYIOIH-ZIAGYGMSSA-N 2 1 299.415 -0.569 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC(=O)N2CCC2)CC1 ZINC001423306667 908199474 /nfs/dbraw/zinc/19/94/74/908199474.db2.gz JEFFWKHPKRDMFN-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001423353593 908210605 /nfs/dbraw/zinc/21/06/05/908210605.db2.gz YXFOGLHPYSFYPY-VXGBXAGGSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CCCC1 ZINC001423515671 908264874 /nfs/dbraw/zinc/26/48/74/908264874.db2.gz OJECZWHCTXGJDN-CHWSQXEVSA-N 2 1 296.415 -0.170 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCCC[NH+]1C ZINC001423522780 908265742 /nfs/dbraw/zinc/26/57/42/908265742.db2.gz XJXJOSGOFLPWTG-QWHCGFSZSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001423522780 908265746 /nfs/dbraw/zinc/26/57/46/908265746.db2.gz XJXJOSGOFLPWTG-QWHCGFSZSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)[C@H]1CCCC[N@H+]1C ZINC001423522780 908265757 /nfs/dbraw/zinc/26/57/57/908265757.db2.gz XJXJOSGOFLPWTG-QWHCGFSZSA-N 2 1 287.404 -0.786 20 0 CBADMP CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)[C@H]1CCC[NH+]1C ZINC001423527223 908270201 /nfs/dbraw/zinc/27/02/01/908270201.db2.gz UJGOWAKSCFDBMJ-NWDGAFQWSA-N 2 1 275.368 -0.199 20 0 CBADMP CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)[C@H]1CCC[NH+]1C ZINC001423527223 908270217 /nfs/dbraw/zinc/27/02/17/908270217.db2.gz UJGOWAKSCFDBMJ-NWDGAFQWSA-N 2 1 275.368 -0.199 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCF)C(=O)[C@H]1CCC[N@@H+]1C ZINC001423527223 908270232 /nfs/dbraw/zinc/27/02/32/908270232.db2.gz UJGOWAKSCFDBMJ-NWDGAFQWSA-N 2 1 275.368 -0.199 20 0 CBADMP CN(C[C@@H](O)C[NH+](C)CCF)C(=O)[C@H]1CCC[N@H+]1C ZINC001423527223 908270245 /nfs/dbraw/zinc/27/02/45/908270245.db2.gz UJGOWAKSCFDBMJ-NWDGAFQWSA-N 2 1 275.368 -0.199 20 0 CBADMP CN(C[C@H](O)C[N@H+](C)CCF)C(=O)[C@H]1CCC[NH+]1C ZINC001423527226 908275086 /nfs/dbraw/zinc/27/50/86/908275086.db2.gz UJGOWAKSCFDBMJ-VXGBXAGGSA-N 2 1 275.368 -0.199 20 0 CBADMP CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)[C@H]1CCC[NH+]1C ZINC001423527226 908275098 /nfs/dbraw/zinc/27/50/98/908275098.db2.gz UJGOWAKSCFDBMJ-VXGBXAGGSA-N 2 1 275.368 -0.199 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCF)C(=O)[C@H]1CCC[N@@H+]1C ZINC001423527226 908275108 /nfs/dbraw/zinc/27/51/08/908275108.db2.gz UJGOWAKSCFDBMJ-VXGBXAGGSA-N 2 1 275.368 -0.199 20 0 CBADMP CN(C[C@H](O)C[NH+](C)CCF)C(=O)[C@H]1CCC[N@H+]1C ZINC001423527226 908275122 /nfs/dbraw/zinc/27/51/22/908275122.db2.gz UJGOWAKSCFDBMJ-VXGBXAGGSA-N 2 1 275.368 -0.199 20 0 CBADMP CC(C)N(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001423567635 908283767 /nfs/dbraw/zinc/28/37/67/908283767.db2.gz AIARGHZZFGPNSG-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CC(C)N(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001423567635 908283779 /nfs/dbraw/zinc/28/37/79/908283779.db2.gz AIARGHZZFGPNSG-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001423586454 908285493 /nfs/dbraw/zinc/28/54/93/908285493.db2.gz NWTXZFJQEWQGGN-RISCZKNCSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001423586454 908285502 /nfs/dbraw/zinc/28/55/02/908285502.db2.gz NWTXZFJQEWQGGN-RISCZKNCSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001423586454 908285511 /nfs/dbraw/zinc/28/55/11/908285511.db2.gz NWTXZFJQEWQGGN-RISCZKNCSA-N 2 1 284.404 -0.217 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001423586454 908285522 /nfs/dbraw/zinc/28/55/22/908285522.db2.gz NWTXZFJQEWQGGN-RISCZKNCSA-N 2 1 284.404 -0.217 20 0 CBADMP COCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001423746952 908319301 /nfs/dbraw/zinc/31/93/01/908319301.db2.gz YBHXIOQCGKHMQC-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001423746952 908319314 /nfs/dbraw/zinc/31/93/14/908319314.db2.gz YBHXIOQCGKHMQC-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001423746952 908319333 /nfs/dbraw/zinc/31/93/33/908319333.db2.gz YBHXIOQCGKHMQC-JSGCOSHPSA-N 2 1 285.388 -0.720 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001423997517 908379443 /nfs/dbraw/zinc/37/94/43/908379443.db2.gz MLVLLARYUFLWCL-RWMBFGLXSA-N 2 1 296.415 -0.409 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001423997517 908379454 /nfs/dbraw/zinc/37/94/54/908379454.db2.gz MLVLLARYUFLWCL-RWMBFGLXSA-N 2 1 296.415 -0.409 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001423997517 908379468 /nfs/dbraw/zinc/37/94/68/908379468.db2.gz MLVLLARYUFLWCL-RWMBFGLXSA-N 2 1 296.415 -0.409 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC001503000956 921408559 /nfs/dbraw/zinc/40/85/59/921408559.db2.gz GMJBKRZGPZJJAG-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CCO ZINC001503000956 921408566 /nfs/dbraw/zinc/40/85/66/921408566.db2.gz GMJBKRZGPZJJAG-KGLIPLIRSA-N 2 1 299.415 -0.330 20 0 CBADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001424269319 908436483 /nfs/dbraw/zinc/43/64/83/908436483.db2.gz SEGCEEBOWMBWCC-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001424408299 908454608 /nfs/dbraw/zinc/45/46/08/908454608.db2.gz IRGSZQSKGHOMLF-DZGCQCFKSA-N 2 1 299.415 -0.736 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+][C@H]1CCNC1=O ZINC001503429590 921411741 /nfs/dbraw/zinc/41/17/41/921411741.db2.gz WGHOTWAQFUKNGD-AVGNSLFASA-N 2 1 296.415 -0.156 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001424587767 908476370 /nfs/dbraw/zinc/47/63/70/908476370.db2.gz QZBLUHHRZZOQNN-WDEREUQCSA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+][C@@H](C)C(N)=O ZINC001424587571 908476795 /nfs/dbraw/zinc/47/67/95/908476795.db2.gz LVXHJNKDBCTWGF-GARJFASQSA-N 2 1 270.377 -0.561 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NC2(CO)CC[NH+](CCO)CC2)C1 ZINC001424656805 908482757 /nfs/dbraw/zinc/48/27/57/908482757.db2.gz HQBRDZHOJRQBMX-CYBMUJFWSA-N 2 1 299.415 -0.736 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H](C)C(N)=O ZINC001425058216 908563974 /nfs/dbraw/zinc/56/39/74/908563974.db2.gz SQYHEORWLTWEFU-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H](C)C(N)=O ZINC001425058216 908563990 /nfs/dbraw/zinc/56/39/90/908563990.db2.gz SQYHEORWLTWEFU-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001425058216 908563999 /nfs/dbraw/zinc/56/39/99/908563999.db2.gz SQYHEORWLTWEFU-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001425058216 908564016 /nfs/dbraw/zinc/56/40/16/908564016.db2.gz SQYHEORWLTWEFU-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001425225049 908588844 /nfs/dbraw/zinc/58/88/44/908588844.db2.gz CQNVTQBZWNFJHL-STQMWFEESA-N 2 1 298.431 -0.005 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001425337158 908621637 /nfs/dbraw/zinc/62/16/37/908621637.db2.gz OGSGJCSYNJHSQT-XYYAHUGASA-N 2 1 278.356 -0.522 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001425337158 908621651 /nfs/dbraw/zinc/62/16/51/908621651.db2.gz OGSGJCSYNJHSQT-XYYAHUGASA-N 2 1 278.356 -0.522 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001425394704 908637422 /nfs/dbraw/zinc/63/74/22/908637422.db2.gz TUQHYSNDXATDHG-UMSPYCQHSA-N 2 1 293.371 -0.427 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(=O)NC ZINC001425665169 908687175 /nfs/dbraw/zinc/68/71/75/908687175.db2.gz TUNZLJHCKSHAAT-NWDGAFQWSA-N 2 1 286.420 -0.101 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(=O)NC ZINC001425665172 908687478 /nfs/dbraw/zinc/68/74/78/908687478.db2.gz TUNZLJHCKSHAAT-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001425678010 908690822 /nfs/dbraw/zinc/69/08/22/908690822.db2.gz CWJCBGMSHVHZTI-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP O=C(NC[C@@H](CO)[NH2+]CCO)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001425751186 908725797 /nfs/dbraw/zinc/72/57/97/908725797.db2.gz IVAPVLIYUJSSOK-GXTWGEPZSA-N 2 1 299.415 -0.548 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001425791019 908740764 /nfs/dbraw/zinc/74/07/64/908740764.db2.gz ZDGNMFJHALVXLW-STQMWFEESA-N 2 1 296.371 -0.705 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001426167399 908843341 /nfs/dbraw/zinc/84/33/41/908843341.db2.gz QBLHIHBKEAJCCA-NSHDSACASA-N 2 1 295.387 -0.203 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCN(C)C(=O)CC[NH+](C)C ZINC001429385752 909236541 /nfs/dbraw/zinc/23/65/41/909236541.db2.gz MCUGPSQFSMBBCB-UHFFFAOYSA-N 2 1 295.387 -0.282 20 0 CBADMP CN(CCNC(=O)CC[NH+](C)C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001431488746 909481685 /nfs/dbraw/zinc/48/16/85/909481685.db2.gz GRZSOAIMQZEHPT-ZDUSSCGKSA-N 2 1 298.431 -0.146 20 0 CBADMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)[C@H](C)C(N)=O ZINC001505935320 921504920 /nfs/dbraw/zinc/50/49/20/921504920.db2.gz FNPSAPVMDBGWDN-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)[C@H](C)C(N)=O ZINC001505935320 921504932 /nfs/dbraw/zinc/50/49/32/921504932.db2.gz FNPSAPVMDBGWDN-GHMZBOCLSA-N 2 1 284.404 -0.219 20 0 CBADMP C[NH+](C)CCC(=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001432302281 909604208 /nfs/dbraw/zinc/60/42/08/909604208.db2.gz VTVDNIMOIDSCNZ-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC001505992218 921519716 /nfs/dbraw/zinc/51/97/16/921519716.db2.gz AXTGTWRDUNJMDO-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCCO)C1 ZINC001506060830 921531851 /nfs/dbraw/zinc/53/18/51/921531851.db2.gz JNVZAISVWHXFBK-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCCO)C1 ZINC001506060830 921531863 /nfs/dbraw/zinc/53/18/63/921531863.db2.gz JNVZAISVWHXFBK-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCCO)C1 ZINC001506060830 921531872 /nfs/dbraw/zinc/53/18/72/921531872.db2.gz JNVZAISVWHXFBK-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCCO)C1 ZINC001506060830 921531885 /nfs/dbraw/zinc/53/18/85/921531885.db2.gz JNVZAISVWHXFBK-CHWSQXEVSA-N 2 1 287.404 -0.474 20 0 CBADMP C[NH+](C)CCC(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001506070411 921535197 /nfs/dbraw/zinc/53/51/97/921535197.db2.gz ODRWRGRGWKQXKE-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1C[C@@H]2[C@H](NC(=O)CN3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001434435240 910179378 /nfs/dbraw/zinc/17/93/78/910179378.db2.gz VMVWRBCQTJOZPR-HZSPNIEDSA-N 2 1 280.416 -0.310 20 0 CBADMP C[N@@H+]1C[C@@H]2[C@H](NC(=O)CN3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001434435240 910179386 /nfs/dbraw/zinc/17/93/86/910179386.db2.gz VMVWRBCQTJOZPR-HZSPNIEDSA-N 2 1 280.416 -0.310 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001436676138 910461063 /nfs/dbraw/zinc/46/10/63/910461063.db2.gz XPIPAYLGEBQMQM-LLVKDONJSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001436731141 910478362 /nfs/dbraw/zinc/47/83/62/910478362.db2.gz RGFYMAGHAWQHHD-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001436731141 910478376 /nfs/dbraw/zinc/47/83/76/910478376.db2.gz RGFYMAGHAWQHHD-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001436878194 910498803 /nfs/dbraw/zinc/49/88/03/910498803.db2.gz KWMJPMSBEJZFOM-NEPJUHHUSA-N 2 1 282.388 -0.735 20 0 CBADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001436914639 910510619 /nfs/dbraw/zinc/51/06/19/910510619.db2.gz OVZCJJMANNEVDB-HAQNSBGRSA-N 2 1 273.352 -0.085 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001436972721 910521458 /nfs/dbraw/zinc/52/14/58/910521458.db2.gz FUISZGHODJXBKY-TUAOUCFPSA-N 2 1 282.388 -0.547 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001436977837 910522268 /nfs/dbraw/zinc/52/22/68/910522268.db2.gz WPIMBTNTMKTERV-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001437006840 910526159 /nfs/dbraw/zinc/52/61/59/910526159.db2.gz JZCNLMIKUNWXBW-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001437006840 910526170 /nfs/dbraw/zinc/52/61/70/910526170.db2.gz JZCNLMIKUNWXBW-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001437006840 910526179 /nfs/dbraw/zinc/52/61/79/910526179.db2.gz JZCNLMIKUNWXBW-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001437006840 910526193 /nfs/dbraw/zinc/52/61/93/910526193.db2.gz JZCNLMIKUNWXBW-QWHCGFSZSA-N 2 1 296.415 -0.358 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001437198384 910584125 /nfs/dbraw/zinc/58/41/25/910584125.db2.gz BNOXRYFTDUEKFX-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001437249064 910597601 /nfs/dbraw/zinc/59/76/01/910597601.db2.gz OKONACYAVGCBJQ-RYUDHWBXSA-N 2 1 286.420 -0.101 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCS(C)(=O)=O ZINC001437260468 910603029 /nfs/dbraw/zinc/60/30/29/910603029.db2.gz LOSCPEWQQKRLRB-QWRGUYRKSA-N 2 1 291.417 -0.923 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001437309095 910610183 /nfs/dbraw/zinc/61/01/83/910610183.db2.gz JEMWTQMDOCBEPL-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001437312968 910612503 /nfs/dbraw/zinc/61/25/03/910612503.db2.gz JHUBISXLNYTFAE-LBPRGKRZSA-N 2 1 284.404 -0.488 20 0 CBADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncn1C ZINC001437422083 910629203 /nfs/dbraw/zinc/62/92/03/910629203.db2.gz LMWSBAPKZNPUQD-NWDGAFQWSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@H](C)C(N)=O ZINC001437599058 910692319 /nfs/dbraw/zinc/69/23/19/910692319.db2.gz QZJLROTVAIXYGA-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@H](C)C(N)=O ZINC001437599058 910692334 /nfs/dbraw/zinc/69/23/34/910692334.db2.gz QZJLROTVAIXYGA-LLVKDONJSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H](C)C(N)=O ZINC001437637702 910707879 /nfs/dbraw/zinc/70/78/79/910707879.db2.gz IIYDKCMCZUQZQY-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H](C)C(N)=O ZINC001437637702 910707893 /nfs/dbraw/zinc/70/78/93/910707893.db2.gz IIYDKCMCZUQZQY-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](C)C(N)=O ZINC001437637702 910707903 /nfs/dbraw/zinc/70/79/03/910707903.db2.gz IIYDKCMCZUQZQY-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H](C)C(N)=O ZINC001437637702 910707914 /nfs/dbraw/zinc/70/79/14/910707914.db2.gz IIYDKCMCZUQZQY-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CCN(C)C(=O)C[N@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC001437646518 910708229 /nfs/dbraw/zinc/70/82/29/910708229.db2.gz AXWJKYOORRNMLJ-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP CCN(C)C(=O)C[N@@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC001437646518 910708238 /nfs/dbraw/zinc/70/82/38/910708238.db2.gz AXWJKYOORRNMLJ-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001437687356 910723267 /nfs/dbraw/zinc/72/32/67/910723267.db2.gz PHKSCPVMMQNCMU-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+]2CC(N)=O)C1 ZINC001437687356 910723228 /nfs/dbraw/zinc/72/32/28/910723228.db2.gz PHKSCPVMMQNCMU-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+]2CC(N)=O)C1 ZINC001437687356 910723242 /nfs/dbraw/zinc/72/32/42/910723242.db2.gz PHKSCPVMMQNCMU-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001437687356 910723249 /nfs/dbraw/zinc/72/32/49/910723249.db2.gz PHKSCPVMMQNCMU-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001437695877 910728955 /nfs/dbraw/zinc/72/89/55/910728955.db2.gz JGILMMXYKGLWFK-ZDUSSCGKSA-N 2 1 296.415 -0.072 20 0 CBADMP NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001437695877 910728970 /nfs/dbraw/zinc/72/89/70/910728970.db2.gz JGILMMXYKGLWFK-ZDUSSCGKSA-N 2 1 296.415 -0.072 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C1CC1)[C@@H]1CCNC1=O ZINC001437810610 910751581 /nfs/dbraw/zinc/75/15/81/910751581.db2.gz BOFMYLVJZYQETL-CYBMUJFWSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C1CC1)[C@@H]1CCNC1=O ZINC001437810610 910751590 /nfs/dbraw/zinc/75/15/90/910751590.db2.gz BOFMYLVJZYQETL-CYBMUJFWSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001437810610 910751602 /nfs/dbraw/zinc/75/16/02/910751602.db2.gz BOFMYLVJZYQETL-CYBMUJFWSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001437810610 910751614 /nfs/dbraw/zinc/75/16/14/910751614.db2.gz BOFMYLVJZYQETL-CYBMUJFWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]([NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001437841992 910767612 /nfs/dbraw/zinc/76/76/12/910767612.db2.gz ICEUQSLMUPWIOO-RYUDHWBXSA-N 2 1 284.404 -0.217 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)CC(N)=O)C2)CC[N@H+]1C ZINC001437972240 910783400 /nfs/dbraw/zinc/78/34/00/910783400.db2.gz BBXDZVBNNGYSFO-JHJVBQTASA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC001437972240 910783411 /nfs/dbraw/zinc/78/34/11/910783411.db2.gz BBXDZVBNNGYSFO-JHJVBQTASA-N 2 1 296.415 -0.408 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC001437972240 910783417 /nfs/dbraw/zinc/78/34/17/910783417.db2.gz BBXDZVBNNGYSFO-JHJVBQTASA-N 2 1 296.415 -0.408 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001438209716 910843559 /nfs/dbraw/zinc/84/35/59/910843559.db2.gz OKNOCWXPLOUQIV-UTUOFQBUSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001438209716 910843571 /nfs/dbraw/zinc/84/35/71/910843571.db2.gz OKNOCWXPLOUQIV-UTUOFQBUSA-N 2 1 284.404 -0.348 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001438209801 910846286 /nfs/dbraw/zinc/84/62/86/910846286.db2.gz YLVKVUILFJRXFQ-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001438209801 910846294 /nfs/dbraw/zinc/84/62/94/910846294.db2.gz YLVKVUILFJRXFQ-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP CN(C(=O)CCC[NH+]1CCCC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001438247279 910855566 /nfs/dbraw/zinc/85/55/66/910855566.db2.gz GMGZMRKXOUQLQN-ZDUSSCGKSA-N 2 1 296.415 -0.120 20 0 CBADMP CN(C(=O)CCC[NH+]1CCCC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001438247279 910855575 /nfs/dbraw/zinc/85/55/75/910855575.db2.gz GMGZMRKXOUQLQN-ZDUSSCGKSA-N 2 1 296.415 -0.120 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001438269063 910857611 /nfs/dbraw/zinc/85/76/11/910857611.db2.gz SOKBGLVEFPCWOZ-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001438269063 910857616 /nfs/dbraw/zinc/85/76/16/910857616.db2.gz SOKBGLVEFPCWOZ-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001438328959 910878997 /nfs/dbraw/zinc/87/89/97/910878997.db2.gz MADKCVZIQSRLJT-JTQLQIEISA-N 2 1 283.380 -0.854 20 0 CBADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCC1)C(N)=O ZINC001438588100 910927700 /nfs/dbraw/zinc/92/77/00/910927700.db2.gz JEPDSQOIEIQEOD-NEPJUHHUSA-N 2 1 296.415 -0.027 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001506828569 921623596 /nfs/dbraw/zinc/62/35/96/921623596.db2.gz ORXCREOTIBBBNR-DOERSZECSA-N 2 1 292.383 -0.134 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001506828569 921623606 /nfs/dbraw/zinc/62/36/06/921623606.db2.gz ORXCREOTIBBBNR-DOERSZECSA-N 2 1 292.383 -0.134 20 0 CBADMP CN(CC[N@H+](C)CC(=O)N1CCCC1)C(=O)CC[NH+](C)C ZINC001438904885 910995564 /nfs/dbraw/zinc/99/55/64/910995564.db2.gz QTGKJOODJUXAQS-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CN(CC[N@@H+](C)CC(=O)N1CCCC1)C(=O)CC[NH+](C)C ZINC001438904885 910995581 /nfs/dbraw/zinc/99/55/81/910995581.db2.gz QTGKJOODJUXAQS-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001439017444 911058669 /nfs/dbraw/zinc/05/86/69/911058669.db2.gz GBRJYNVOXSVMHV-NEPJUHHUSA-N 2 1 289.420 -0.588 20 0 CBADMP Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001439049075 911072135 /nfs/dbraw/zinc/07/21/35/911072135.db2.gz WXJUCRQNIGNNDE-NWDGAFQWSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001439049075 911072152 /nfs/dbraw/zinc/07/21/52/911072152.db2.gz WXJUCRQNIGNNDE-NWDGAFQWSA-N 2 1 296.371 -0.499 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(C)C)C1 ZINC001439059518 911081998 /nfs/dbraw/zinc/08/19/98/911081998.db2.gz QIRMFFCIZYHCDK-STQMWFEESA-N 2 1 287.404 -0.570 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(C)C)C1 ZINC001439059518 911082015 /nfs/dbraw/zinc/08/20/15/911082015.db2.gz QIRMFFCIZYHCDK-STQMWFEESA-N 2 1 287.404 -0.570 20 0 CBADMP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]Cc1nccs1 ZINC001439061665 911082183 /nfs/dbraw/zinc/08/21/83/911082183.db2.gz SBNXZIGFFUEGLI-NSHDSACASA-N 2 1 298.412 -0.194 20 0 CBADMP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439083914 911097168 /nfs/dbraw/zinc/09/71/68/911097168.db2.gz MDXAVIVUWANGJZ-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001439102438 911101898 /nfs/dbraw/zinc/10/18/98/911101898.db2.gz LWOPLDRVHWUIAU-YPMHNXCESA-N 2 1 296.415 -0.299 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001439107660 911105220 /nfs/dbraw/zinc/10/52/20/911105220.db2.gz DSWJMINKDNNYBZ-GRYCIOLGSA-N 2 1 284.404 -0.443 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001439138078 911116009 /nfs/dbraw/zinc/11/60/09/911116009.db2.gz BZQMGENUGSHMQY-WOPDTQHZSA-N 2 1 284.404 -0.301 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001506891510 921636790 /nfs/dbraw/zinc/63/67/90/921636790.db2.gz VYVUXCDTYQXAAL-XYPYZODXSA-N 2 1 279.344 -0.839 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001439235659 911148260 /nfs/dbraw/zinc/14/82/60/911148260.db2.gz GBIFHTXOBIDQJS-HBNTYKKESA-N 2 1 295.391 -0.855 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001439235659 911148274 /nfs/dbraw/zinc/14/82/74/911148274.db2.gz GBIFHTXOBIDQJS-HBNTYKKESA-N 2 1 295.391 -0.855 20 0 CBADMP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001439245623 911153545 /nfs/dbraw/zinc/15/35/45/911153545.db2.gz XFESPMYBEUFISX-CYDGBPFRSA-N 2 1 296.415 -0.301 20 0 CBADMP Cc1nonc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439282387 911164039 /nfs/dbraw/zinc/16/40/39/911164039.db2.gz LBCKUTAOQBPFGX-GXSJLCMTSA-N 2 1 281.360 -0.076 20 0 CBADMP Cc1nonc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439282387 911164047 /nfs/dbraw/zinc/16/40/47/911164047.db2.gz LBCKUTAOQBPFGX-GXSJLCMTSA-N 2 1 281.360 -0.076 20 0 CBADMP CCn1nncc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439282844 911166822 /nfs/dbraw/zinc/16/68/22/911166822.db2.gz ODFJSHNGRCTCQI-RYUDHWBXSA-N 2 1 294.403 -0.156 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001506906044 921639593 /nfs/dbraw/zinc/63/95/93/921639593.db2.gz NNDRRBSLXUJDMT-MGPQQGTHSA-N 2 1 299.415 -0.569 20 0 CBADMP CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001506907247 921639641 /nfs/dbraw/zinc/63/96/41/921639641.db2.gz ZOUQDHYKRAKQPS-FDYHWXHSSA-N 2 1 296.415 -0.314 20 0 CBADMP C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001439358618 911192235 /nfs/dbraw/zinc/19/22/35/911192235.db2.gz ALJJXYDPMDVAAY-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001439358618 911192245 /nfs/dbraw/zinc/19/22/45/911192245.db2.gz ALJJXYDPMDVAAY-QWRGUYRKSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@H](C[N@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001439364366 911193034 /nfs/dbraw/zinc/19/30/34/911193034.db2.gz NDSYMOYHKGEYGM-NEPJUHHUSA-N 2 1 286.420 -0.149 20 0 CBADMP C[C@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001439364366 911193042 /nfs/dbraw/zinc/19/30/42/911193042.db2.gz NDSYMOYHKGEYGM-NEPJUHHUSA-N 2 1 286.420 -0.149 20 0 CBADMP CCN(C)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001439368950 911194626 /nfs/dbraw/zinc/19/46/26/911194626.db2.gz YAFZWSIWEPZKJX-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001439368950 911194649 /nfs/dbraw/zinc/19/46/49/911194649.db2.gz YAFZWSIWEPZKJX-GFCCVEGCSA-N 2 1 286.420 -0.147 20 0 CBADMP CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001506944395 921645219 /nfs/dbraw/zinc/64/52/19/921645219.db2.gz ACQMZAFGJWQAEO-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)(C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)[NH+]1CCCC1 ZINC001440006143 911341256 /nfs/dbraw/zinc/34/12/56/911341256.db2.gz VFHBNQDQRVBXDY-OAHLLOKOSA-N 2 1 299.415 -0.594 20 0 CBADMP O=C(CCC[NH+]1CCCC1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001440019956 911348891 /nfs/dbraw/zinc/34/88/91/911348891.db2.gz QIMWVIMBDQRXOG-OAHLLOKOSA-N 2 1 299.415 -0.592 20 0 CBADMP C[C@@H](O)CN1CC(O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001440053971 911369549 /nfs/dbraw/zinc/36/95/49/911369549.db2.gz DWGTVSJSRXWOBH-OLZOCXBDSA-N 2 1 299.415 -0.596 20 0 CBADMP C[C@H](O)CN1CC(O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001440053974 911369914 /nfs/dbraw/zinc/36/99/14/911369914.db2.gz DWGTVSJSRXWOBH-QWHCGFSZSA-N 2 1 299.415 -0.596 20 0 CBADMP CC[NH2+]C1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001440159617 911394827 /nfs/dbraw/zinc/39/48/27/911394827.db2.gz RIXRPKOTQXWMKJ-CQSZACIVSA-N 2 1 298.431 -0.493 20 0 CBADMP CC[NH2+]C1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001440159617 911394845 /nfs/dbraw/zinc/39/48/45/911394845.db2.gz RIXRPKOTQXWMKJ-CQSZACIVSA-N 2 1 298.431 -0.493 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@]1(CO)CCC[NH+](CCCO)C1 ZINC001440163803 911397429 /nfs/dbraw/zinc/39/74/29/911397429.db2.gz LQCVDNPHTYQFCC-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@]1(CO)CCC[NH+](CCCO)C1 ZINC001440163803 911397446 /nfs/dbraw/zinc/39/74/46/911397446.db2.gz LQCVDNPHTYQFCC-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@]1(CO)CCC[N@H+](CCCO)C1 ZINC001440163803 911397457 /nfs/dbraw/zinc/39/74/57/911397457.db2.gz LQCVDNPHTYQFCC-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001440163803 911397474 /nfs/dbraw/zinc/39/74/74/911397474.db2.gz LQCVDNPHTYQFCC-DZGCQCFKSA-N 2 1 299.415 -0.594 20 0 CBADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001440606408 911478222 /nfs/dbraw/zinc/47/82/22/911478222.db2.gz LWSWVUVZTLJACT-CMPLNLGQSA-N 2 1 293.371 -0.626 20 0 CBADMP CNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001440592807 911480749 /nfs/dbraw/zinc/48/07/49/911480749.db2.gz KAOIZTYEGYDLQB-NEPJUHHUSA-N 2 1 284.404 -0.491 20 0 CBADMP CC(C)[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001440631043 911485198 /nfs/dbraw/zinc/48/51/98/911485198.db2.gz XKCPXFWUWRGHEF-CYBMUJFWSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001440631043 911485215 /nfs/dbraw/zinc/48/52/15/911485215.db2.gz XKCPXFWUWRGHEF-CYBMUJFWSA-N 2 1 299.415 -0.332 20 0 CBADMP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001440948087 911562322 /nfs/dbraw/zinc/56/23/22/911562322.db2.gz APIJSLJHZMBNTE-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001440948087 911562333 /nfs/dbraw/zinc/56/23/33/911562333.db2.gz APIJSLJHZMBNTE-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001440948087 911562349 /nfs/dbraw/zinc/56/23/49/911562349.db2.gz APIJSLJHZMBNTE-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001440948087 911562364 /nfs/dbraw/zinc/56/23/64/911562364.db2.gz APIJSLJHZMBNTE-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP COCCN1CC(CCO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001441047693 911596611 /nfs/dbraw/zinc/59/66/11/911596611.db2.gz UDNRGAXQPCLADW-UHFFFAOYSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001441199765 911623051 /nfs/dbraw/zinc/62/30/51/911623051.db2.gz FEKDLLJXYXJYJH-NEPJUHHUSA-N 2 1 282.388 -0.560 20 0 CBADMP CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001441246136 911630768 /nfs/dbraw/zinc/63/07/68/911630768.db2.gz CLVNDOROGBGBDF-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001441246136 911630780 /nfs/dbraw/zinc/63/07/80/911630780.db2.gz CLVNDOROGBGBDF-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP Cn1ncc(C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C2CC2)n1 ZINC001441235919 911631932 /nfs/dbraw/zinc/63/19/32/911631932.db2.gz ZKKNJUPRXWYTQV-CYBMUJFWSA-N 2 1 294.403 -0.249 20 0 CBADMP CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001441365543 911651372 /nfs/dbraw/zinc/65/13/72/911651372.db2.gz USHNAVUFIZQTKX-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001441365539 911653664 /nfs/dbraw/zinc/65/36/64/911653664.db2.gz USHNAVUFIZQTKX-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507125607 921684123 /nfs/dbraw/zinc/68/41/23/921684123.db2.gz ITAUUEXTWSGQFA-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001441771477 911794245 /nfs/dbraw/zinc/79/42/45/911794245.db2.gz WYYVUGVXCLJASJ-QWHCGFSZSA-N 2 1 287.404 -0.692 20 0 CBADMP Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441786377 911804299 /nfs/dbraw/zinc/80/42/99/911804299.db2.gz FFULIUKWGSGIMI-DGCLKSJQSA-N 2 1 296.371 -0.499 20 0 CBADMP Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441786377 911804310 /nfs/dbraw/zinc/80/43/10/911804310.db2.gz FFULIUKWGSGIMI-DGCLKSJQSA-N 2 1 296.371 -0.499 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001507161552 921692699 /nfs/dbraw/zinc/69/26/99/921692699.db2.gz LZPDXGCJJPMDQF-NWDGAFQWSA-N 2 1 286.420 -0.102 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001441858710 911842248 /nfs/dbraw/zinc/84/22/48/911842248.db2.gz DTJROKWYKSNDBP-DOMZBBRYSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001441858710 911842259 /nfs/dbraw/zinc/84/22/59/911842259.db2.gz DTJROKWYKSNDBP-DOMZBBRYSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2)[NH+](C)C ZINC001441876302 911845581 /nfs/dbraw/zinc/84/55/81/911845581.db2.gz PXKJNEJSLQZVSS-HUBLWGQQSA-N 2 1 296.415 -0.075 20 0 CBADMP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2)[NH+](C)C ZINC001441876302 911845591 /nfs/dbraw/zinc/84/55/91/911845591.db2.gz PXKJNEJSLQZVSS-HUBLWGQQSA-N 2 1 296.415 -0.075 20 0 CBADMP COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001441928135 911852504 /nfs/dbraw/zinc/85/25/04/911852504.db2.gz LNYIEASZCHQAHZ-JQWIXIFHSA-N 2 1 284.360 -0.707 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC(N)=O ZINC001441940445 911857085 /nfs/dbraw/zinc/85/70/85/911857085.db2.gz KHOWSYINFHIPMR-VWYCJHECSA-N 2 1 270.377 -0.704 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CCn1cncn1 ZINC001442066697 911912680 /nfs/dbraw/zinc/91/26/80/911912680.db2.gz OCTOGSWBKSMWIH-GFCCVEGCSA-N 2 1 282.392 -0.287 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001442089676 911930140 /nfs/dbraw/zinc/93/01/40/911930140.db2.gz VRHAYHGZRYGPRV-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001442089676 911930147 /nfs/dbraw/zinc/93/01/47/911930147.db2.gz VRHAYHGZRYGPRV-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001442089676 911930164 /nfs/dbraw/zinc/93/01/64/911930164.db2.gz VRHAYHGZRYGPRV-QWHCGFSZSA-N 2 1 287.404 -0.522 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001442150439 911938343 /nfs/dbraw/zinc/93/83/43/911938343.db2.gz SHGJXAHVMGCBDM-AVGNSLFASA-N 2 1 296.415 -0.360 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001442281571 911962590 /nfs/dbraw/zinc/96/25/90/911962590.db2.gz BLNRGHJMZOZMNK-ZYHUDNBSSA-N 2 1 295.387 -0.190 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001442415806 912008457 /nfs/dbraw/zinc/00/84/57/912008457.db2.gz OKWZAPRNAJOPMN-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001442415806 912008471 /nfs/dbraw/zinc/00/84/71/912008471.db2.gz OKWZAPRNAJOPMN-GFCCVEGCSA-N 2 1 298.431 -0.005 20 0 CBADMP CC[C@H](C(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001442428813 912014616 /nfs/dbraw/zinc/01/46/16/912014616.db2.gz GOGZDEGTTLNDTP-VXGBXAGGSA-N 2 1 286.420 -0.149 20 0 CBADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001442428813 912014620 /nfs/dbraw/zinc/01/46/20/912014620.db2.gz GOGZDEGTTLNDTP-VXGBXAGGSA-N 2 1 286.420 -0.149 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001442530801 912041624 /nfs/dbraw/zinc/04/16/24/912041624.db2.gz ACFDEGXTQJMJHK-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001442530801 912041637 /nfs/dbraw/zinc/04/16/37/912041637.db2.gz ACFDEGXTQJMJHK-NSHDSACASA-N 2 1 284.404 -0.360 20 0 CBADMP C[N@@H+](CCNC(=O)C1CC1)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001442610220 912062616 /nfs/dbraw/zinc/06/26/16/912062616.db2.gz MLCWAIWXTGFBOB-CYBMUJFWSA-N 2 1 296.415 -0.488 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)C(=O)N(C)C ZINC001442746061 912100044 /nfs/dbraw/zinc/10/00/44/912100044.db2.gz RFUXMTIKKZDUOW-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)C(=O)N(C)C ZINC001442746061 912100058 /nfs/dbraw/zinc/10/00/58/912100058.db2.gz RFUXMTIKKZDUOW-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)C(=O)N(C)C ZINC001442746061 912100070 /nfs/dbraw/zinc/10/00/70/912100070.db2.gz RFUXMTIKKZDUOW-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)N(C)C ZINC001442746061 912100079 /nfs/dbraw/zinc/10/00/79/912100079.db2.gz RFUXMTIKKZDUOW-OLZOCXBDSA-N 2 1 298.431 -0.147 20 0 CBADMP Cn1cncc1CC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001442812316 912108606 /nfs/dbraw/zinc/10/86/06/912108606.db2.gz RGRAABDRIZJVBO-LBPRGKRZSA-N 2 1 280.372 -0.074 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001443036810 912142392 /nfs/dbraw/zinc/14/23/92/912142392.db2.gz UNRGRCVPKQTNLM-NSHDSACASA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001443036810 912142402 /nfs/dbraw/zinc/14/24/02/912142402.db2.gz UNRGRCVPKQTNLM-NSHDSACASA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001443076187 912145908 /nfs/dbraw/zinc/14/59/08/912145908.db2.gz XMSWKTWXZBITFY-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001443076187 912145917 /nfs/dbraw/zinc/14/59/17/912145917.db2.gz XMSWKTWXZBITFY-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC[N@H+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001443076187 912145930 /nfs/dbraw/zinc/14/59/30/912145930.db2.gz XMSWKTWXZBITFY-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001443076187 912145941 /nfs/dbraw/zinc/14/59/41/912145941.db2.gz XMSWKTWXZBITFY-DGCLKSJQSA-N 2 1 294.399 -0.593 20 0 CBADMP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001443076990 912148209 /nfs/dbraw/zinc/14/82/09/912148209.db2.gz LFPDCQLANGYLOO-CHWSQXEVSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001443076998 912148251 /nfs/dbraw/zinc/14/82/51/912148251.db2.gz LFPDCQLANGYLOO-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001443106255 912157344 /nfs/dbraw/zinc/15/73/44/912157344.db2.gz WCYHAZPALPPPRE-LLVKDONJSA-N 2 1 270.377 -0.737 20 0 CBADMP C[C@@H]([NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001443107854 912158901 /nfs/dbraw/zinc/15/89/01/912158901.db2.gz ZIMNCNABPGZJQE-GHMZBOCLSA-N 2 1 270.377 -0.750 20 0 CBADMP COC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001443111960 912160888 /nfs/dbraw/zinc/16/08/88/912160888.db2.gz XFSABUUOJDCNFG-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP COC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001443111960 912160898 /nfs/dbraw/zinc/16/08/98/912160898.db2.gz XFSABUUOJDCNFG-NEPJUHHUSA-N 2 1 273.377 -0.600 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001443221253 912169770 /nfs/dbraw/zinc/16/97/70/912169770.db2.gz QHOBLPAQWRQINO-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001443221253 912169778 /nfs/dbraw/zinc/16/97/78/912169778.db2.gz QHOBLPAQWRQINO-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001443221253 912169785 /nfs/dbraw/zinc/16/97/85/912169785.db2.gz QHOBLPAQWRQINO-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP CCN1CC[C@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001464653036 914998426 /nfs/dbraw/zinc/99/84/26/914998426.db2.gz JOYFUGDVGYIFDM-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+]1CC[C@H]1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC001464653036 914998438 /nfs/dbraw/zinc/99/84/38/914998438.db2.gz JOYFUGDVGYIFDM-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@H+]1CC[C@H]1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC001464653036 914998446 /nfs/dbraw/zinc/99/84/46/914998446.db2.gz JOYFUGDVGYIFDM-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+]1CC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001464653036 914998457 /nfs/dbraw/zinc/99/84/57/914998457.db2.gz JOYFUGDVGYIFDM-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC[NH+]1CC[C@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001464653036 914998473 /nfs/dbraw/zinc/99/84/73/914998473.db2.gz JOYFUGDVGYIFDM-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC(C)C[NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001507245999 921780282 /nfs/dbraw/zinc/78/02/82/921780282.db2.gz XMUXJAQQRBDIKH-CYBMUJFWSA-N 2 1 287.404 -0.569 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC001471641833 915607691 /nfs/dbraw/zinc/60/76/91/915607691.db2.gz XMTMHJICMORZOF-QWHCGFSZSA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001471641833 915607706 /nfs/dbraw/zinc/60/77/06/915607706.db2.gz XMTMHJICMORZOF-QWHCGFSZSA-N 2 1 269.389 -0.006 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001471641833 915607725 /nfs/dbraw/zinc/60/77/25/915607725.db2.gz XMTMHJICMORZOF-QWHCGFSZSA-N 2 1 269.389 -0.006 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]CC2CC2)C1 ZINC001507251352 921783821 /nfs/dbraw/zinc/78/38/21/921783821.db2.gz CLSAJVOTCGBFRH-OLZOCXBDSA-N 2 1 269.389 -0.195 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCOC2CCC2)C1 ZINC001507261413 921792844 /nfs/dbraw/zinc/79/28/44/921792844.db2.gz SBTMXZSQOLVZTG-QWHCGFSZSA-N 2 1 299.415 -0.426 20 0 CBADMP CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001507265637 921795751 /nfs/dbraw/zinc/79/57/51/921795751.db2.gz SKQBIJLOABERMH-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001507265637 921795757 /nfs/dbraw/zinc/79/57/57/921795757.db2.gz SKQBIJLOABERMH-CHWSQXEVSA-N 2 1 287.404 -0.426 20 0 CBADMP CC(C)[C@@](C)([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(N)=O ZINC001473458570 915812698 /nfs/dbraw/zinc/81/26/98/915812698.db2.gz ACQJNDAPHCUBQP-CQSZACIVSA-N 2 1 284.404 -0.360 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H](CO)[C@@H](CCO)C1 ZINC001473891581 915878377 /nfs/dbraw/zinc/87/83/77/915878377.db2.gz BJPQZVOJLACARD-MJBXVCDLSA-N 2 1 274.405 -0.390 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001473891581 915878391 /nfs/dbraw/zinc/87/83/91/915878391.db2.gz BJPQZVOJLACARD-MJBXVCDLSA-N 2 1 274.405 -0.390 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001473891581 915878404 /nfs/dbraw/zinc/87/84/04/915878404.db2.gz BJPQZVOJLACARD-MJBXVCDLSA-N 2 1 274.405 -0.390 20 0 CBADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001479320883 916117645 /nfs/dbraw/zinc/11/76/45/916117645.db2.gz HQJDWVLEDAJRRV-UPJWGTAASA-N 2 1 296.415 -0.441 20 0 CBADMP CCN(C)C(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001479761774 916163888 /nfs/dbraw/zinc/16/38/88/916163888.db2.gz KFAIUPMNZJNDRA-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001479761774 916163895 /nfs/dbraw/zinc/16/38/95/916163895.db2.gz KFAIUPMNZJNDRA-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCN(C)C(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001479761774 916163901 /nfs/dbraw/zinc/16/39/01/916163901.db2.gz KFAIUPMNZJNDRA-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CN1CC[C@H]([N@@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001479762698 916164358 /nfs/dbraw/zinc/16/43/58/916164358.db2.gz UYMYKDIFGWBKGL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([NH+](C)CCCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001479762698 916164368 /nfs/dbraw/zinc/16/43/68/916164368.db2.gz UYMYKDIFGWBKGL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN1CC[C@H]([NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001479762698 916164376 /nfs/dbraw/zinc/16/43/76/916164376.db2.gz UYMYKDIFGWBKGL-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CC[C@H](C(=O)NCCC[N@@H+](C)[C@H](C)C(=O)NC)[NH+](C)C ZINC001479808123 916187281 /nfs/dbraw/zinc/18/72/81/916187281.db2.gz QDSUSRUDRVUPRL-VXGBXAGGSA-N 2 1 286.420 -0.101 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCCN2CC[NH+](CCO)CC2)C1 ZINC001479923044 916218708 /nfs/dbraw/zinc/21/87/08/916218708.db2.gz OJVOPNOVOOMICX-AWEZNQCLSA-N 2 1 298.431 -0.946 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+]2CCN(CCO)CC2)C1 ZINC001479923044 916218724 /nfs/dbraw/zinc/21/87/24/916218724.db2.gz OJVOPNOVOOMICX-AWEZNQCLSA-N 2 1 298.431 -0.946 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH+]2CCN(CCO)CC2)C1 ZINC001479923044 916218744 /nfs/dbraw/zinc/21/87/44/916218744.db2.gz OJVOPNOVOOMICX-AWEZNQCLSA-N 2 1 298.431 -0.946 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001479940965 916226147 /nfs/dbraw/zinc/22/61/47/916226147.db2.gz DMLHQWRMKSIXOI-ZDUSSCGKSA-N 2 1 268.405 -0.308 20 0 CBADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCO)C1)[NH+](C)C ZINC001479968964 916248710 /nfs/dbraw/zinc/24/87/10/916248710.db2.gz LPQAEJQNBRULAC-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP CN(C)C(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001480009683 916258283 /nfs/dbraw/zinc/25/82/83/916258283.db2.gz ZHWOSQLQZVRXLH-QWHCGFSZSA-N 2 1 296.415 -0.347 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001480034666 916265602 /nfs/dbraw/zinc/26/56/02/916265602.db2.gz RRMXPQBITRCEOZ-NSHDSACASA-N 2 1 279.344 -0.839 20 0 CBADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480061295 916276698 /nfs/dbraw/zinc/27/66/98/916276698.db2.gz HDGNYMBNSXRBRM-NWDGAFQWSA-N 2 1 282.388 -0.832 20 0 CBADMP COCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001480108218 916289757 /nfs/dbraw/zinc/28/97/57/916289757.db2.gz VCSKMFHTHDWCGU-NWDGAFQWSA-N 2 1 271.361 -0.846 20 0 CBADMP COCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001480108218 916289775 /nfs/dbraw/zinc/28/97/75/916289775.db2.gz VCSKMFHTHDWCGU-NWDGAFQWSA-N 2 1 271.361 -0.846 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001480173335 916315995 /nfs/dbraw/zinc/31/59/95/916315995.db2.gz GANUUIKJTSZJKQ-IJLUTSLNSA-N 2 1 284.404 -0.302 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001480221430 916333756 /nfs/dbraw/zinc/33/37/56/916333756.db2.gz ZRAGKTRKLYFWIV-AOOOYVTPSA-N 2 1 267.333 -0.242 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001480232321 916336535 /nfs/dbraw/zinc/33/65/35/916336535.db2.gz MVKMPDLSROZBSD-TXEJJXNPSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCOCCO ZINC001480463797 916427521 /nfs/dbraw/zinc/42/75/21/916427521.db2.gz ZIMYTACKVXKCCW-YNEHKIRRSA-N 2 1 287.404 -0.570 20 0 CBADMP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnn(C)n1 ZINC001480530766 916461449 /nfs/dbraw/zinc/46/14/49/916461449.db2.gz NKMNYTGNBGPGRY-SNVBAGLBSA-N 2 1 268.365 -0.639 20 0 CBADMP COCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001480670985 916518034 /nfs/dbraw/zinc/51/80/34/916518034.db2.gz MWXRHNLJTUXUJU-CQSZACIVSA-N 2 1 299.415 -0.207 20 0 CBADMP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@@H]1CCCCO1 ZINC001480851948 916571934 /nfs/dbraw/zinc/57/19/34/916571934.db2.gz MUMDEZGSJKPMIR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@@H]1CCCCO1 ZINC001480851948 916571947 /nfs/dbraw/zinc/57/19/47/916571947.db2.gz MUMDEZGSJKPMIR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C[C@@H]1CCCCO1 ZINC001480851948 916571956 /nfs/dbraw/zinc/57/19/56/916571956.db2.gz MUMDEZGSJKPMIR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C[C@@H]1CCCCO1 ZINC001480851948 916571972 /nfs/dbraw/zinc/57/19/72/916571972.db2.gz MUMDEZGSJKPMIR-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480866090 916593266 /nfs/dbraw/zinc/59/32/66/916593266.db2.gz VNVBHIPAEMMCPX-LBPRGKRZSA-N 2 1 255.362 -0.632 20 0 CBADMP C[N@@H+](CCCO)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480934924 916643201 /nfs/dbraw/zinc/64/32/01/916643201.db2.gz IIPJMYXDYFLUGS-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP C[NH+](CCCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480934924 916643211 /nfs/dbraw/zinc/64/32/11/916643211.db2.gz IIPJMYXDYFLUGS-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP C[NH+](CCCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001480934924 916643218 /nfs/dbraw/zinc/64/32/18/916643218.db2.gz IIPJMYXDYFLUGS-LBPRGKRZSA-N 2 1 257.378 -0.241 20 0 CBADMP C[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001480947127 916649835 /nfs/dbraw/zinc/64/98/35/916649835.db2.gz JAOFBAABZQODDD-QWHCGFSZSA-N 2 1 287.404 -0.617 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCNC1=O ZINC001480983360 916672598 /nfs/dbraw/zinc/67/25/98/916672598.db2.gz YOJONNXZJVHYCB-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CCNC1=O ZINC001480983360 916672614 /nfs/dbraw/zinc/67/26/14/916672614.db2.gz YOJONNXZJVHYCB-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CCNC1=O ZINC001480983360 916672626 /nfs/dbraw/zinc/67/26/26/916672626.db2.gz YOJONNXZJVHYCB-OLZOCXBDSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+](CCNC(=O)CC[NH+](C)C)[C@H](C)C(=O)NC ZINC001480997325 916680596 /nfs/dbraw/zinc/68/05/96/916680596.db2.gz BLVYJNMEODPGDV-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)[C@H](C)C(=O)NC ZINC001480997325 916680603 /nfs/dbraw/zinc/68/06/03/916680603.db2.gz BLVYJNMEODPGDV-LLVKDONJSA-N 2 1 272.393 -0.489 20 0 CBADMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)N1CCC1 ZINC001481016448 916684861 /nfs/dbraw/zinc/68/48/61/916684861.db2.gz LAJXPGDBCCGNFK-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)N1CCC1 ZINC001481016448 916684867 /nfs/dbraw/zinc/68/48/67/916684867.db2.gz LAJXPGDBCCGNFK-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)N1CCC1 ZINC001481016448 916684878 /nfs/dbraw/zinc/68/48/78/916684878.db2.gz LAJXPGDBCCGNFK-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)N1CCC1 ZINC001481016448 916684887 /nfs/dbraw/zinc/68/48/87/916684887.db2.gz LAJXPGDBCCGNFK-ZDUSSCGKSA-N 2 1 296.415 -0.392 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001481055580 916699399 /nfs/dbraw/zinc/69/93/99/916699399.db2.gz IUGNGMOCEOGSJU-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC(=O)NC ZINC001481067717 916705527 /nfs/dbraw/zinc/70/55/27/916705527.db2.gz XFWNLERLXMLLOL-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC(=O)NC ZINC001481067717 916705542 /nfs/dbraw/zinc/70/55/42/916705542.db2.gz XFWNLERLXMLLOL-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC ZINC001481067717 916705558 /nfs/dbraw/zinc/70/55/58/916705558.db2.gz XFWNLERLXMLLOL-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC ZINC001481067717 916705574 /nfs/dbraw/zinc/70/55/74/916705574.db2.gz XFWNLERLXMLLOL-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001481127407 916730960 /nfs/dbraw/zinc/73/09/60/916730960.db2.gz VDRLKZMQWATGBS-NEPJUHHUSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001481127407 916730970 /nfs/dbraw/zinc/73/09/70/916730970.db2.gz VDRLKZMQWATGBS-NEPJUHHUSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001481127407 916730984 /nfs/dbraw/zinc/73/09/84/916730984.db2.gz VDRLKZMQWATGBS-NEPJUHHUSA-N 2 1 284.404 -0.362 20 0 CBADMP C[C@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001481162725 916740093 /nfs/dbraw/zinc/74/00/93/916740093.db2.gz OHHIZPFTOXEASX-PWSUYJOCSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001481162725 916740103 /nfs/dbraw/zinc/74/01/03/916740103.db2.gz OHHIZPFTOXEASX-PWSUYJOCSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001481162725 916740112 /nfs/dbraw/zinc/74/01/12/916740112.db2.gz OHHIZPFTOXEASX-PWSUYJOCSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001481162725 916740123 /nfs/dbraw/zinc/74/01/23/916740123.db2.gz OHHIZPFTOXEASX-PWSUYJOCSA-N 2 1 282.388 -0.465 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NCC[NH+]([C@@H](C)C(N)=O)C1CC1 ZINC001481200937 916754337 /nfs/dbraw/zinc/75/43/37/916754337.db2.gz UBPJLURNKNOGHP-NSHDSACASA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]([C@@H](C)C(N)=O)C1CC1 ZINC001481200937 916754347 /nfs/dbraw/zinc/75/43/47/916754347.db2.gz UBPJLURNKNOGHP-NSHDSACASA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+]([C@@H](C)C(N)=O)C1CC1 ZINC001481200937 916754358 /nfs/dbraw/zinc/75/43/58/916754358.db2.gz UBPJLURNKNOGHP-NSHDSACASA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+]([C@@H](C)C(N)=O)C1CC1 ZINC001481200937 916754365 /nfs/dbraw/zinc/75/43/65/916754365.db2.gz UBPJLURNKNOGHP-NSHDSACASA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001481228877 916776132 /nfs/dbraw/zinc/77/61/32/916776132.db2.gz KOEZPEGLHRNECM-NEPJUHHUSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001481271755 916798707 /nfs/dbraw/zinc/79/87/07/916798707.db2.gz IQOQLGMLKHYFOD-STQMWFEESA-N 2 1 298.431 -0.147 20 0 CBADMP CN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481314354 916815620 /nfs/dbraw/zinc/81/56/20/916815620.db2.gz FISDXOLQBBUOFL-LBPRGKRZSA-N 2 1 282.388 -0.782 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O ZINC001481314766 916816061 /nfs/dbraw/zinc/81/60/61/916816061.db2.gz LACQGNZYKGCTIX-GFCCVEGCSA-N 2 1 293.371 -0.482 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC[C@H]2CC[NH+](CCO)C2)C1 ZINC001481464146 916836383 /nfs/dbraw/zinc/83/63/83/916836383.db2.gz IEHOCICNZQXVLK-STQMWFEESA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC[C@H]2CC[N@H+](CCO)C2)C1 ZINC001481464146 916836394 /nfs/dbraw/zinc/83/63/94/916836394.db2.gz IEHOCICNZQXVLK-STQMWFEESA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001481464146 916836410 /nfs/dbraw/zinc/83/64/10/916836410.db2.gz IEHOCICNZQXVLK-STQMWFEESA-N 2 1 269.389 -0.241 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC[C@H]2CC[NH+](CCO)C2)C1 ZINC001481464145 916840851 /nfs/dbraw/zinc/84/08/51/916840851.db2.gz IEHOCICNZQXVLK-QWHCGFSZSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC[C@H]2CC[N@H+](CCO)C2)C1 ZINC001481464145 916840872 /nfs/dbraw/zinc/84/08/72/916840872.db2.gz IEHOCICNZQXVLK-QWHCGFSZSA-N 2 1 269.389 -0.241 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001481464145 916840884 /nfs/dbraw/zinc/84/08/84/916840884.db2.gz IEHOCICNZQXVLK-QWHCGFSZSA-N 2 1 269.389 -0.241 20 0 CBADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001481641132 916926060 /nfs/dbraw/zinc/92/60/60/916926060.db2.gz LGADQICURXNXHP-LBPRGKRZSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[N@H+](C)CCC(=O)NCC1C[NH+]([C@H](C)C(=O)NC)C1 ZINC001481655635 916931798 /nfs/dbraw/zinc/93/17/98/916931798.db2.gz BPECWKDEQCHWOI-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@H](C)C(=O)NC)C1 ZINC001481655635 916931809 /nfs/dbraw/zinc/93/18/09/916931809.db2.gz BPECWKDEQCHWOI-GFCCVEGCSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]CC(N)=O ZINC001481816507 916995724 /nfs/dbraw/zinc/99/57/24/916995724.db2.gz MGPHDLSIVOGONT-VXGBXAGGSA-N 2 1 284.404 -0.170 20 0 CBADMP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nncn1C ZINC001481849649 917002070 /nfs/dbraw/zinc/00/20/70/917002070.db2.gz LJAWWGLWCSBIAK-NSHDSACASA-N 2 1 282.392 -0.249 20 0 CBADMP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001481849786 917004425 /nfs/dbraw/zinc/00/44/25/917004425.db2.gz FYSQFBKLDGORBQ-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)[NH2+]CCCO ZINC001481882703 917017675 /nfs/dbraw/zinc/01/76/75/917017675.db2.gz PZSKBOGLXAFIGC-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)[NH2+]CCCO ZINC001481882703 917017684 /nfs/dbraw/zinc/01/76/84/917017684.db2.gz PZSKBOGLXAFIGC-QWHCGFSZSA-N 2 1 287.404 -0.426 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001482121400 917058073 /nfs/dbraw/zinc/05/80/73/917058073.db2.gz HNJGUJNKVBTZMK-JQWIXIFHSA-N 2 1 293.371 -0.578 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001482173494 917076263 /nfs/dbraw/zinc/07/62/63/917076263.db2.gz MMTAKQWTCUDDCB-LLVKDONJSA-N 2 1 297.407 -0.608 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001482173494 917076277 /nfs/dbraw/zinc/07/62/77/917076277.db2.gz MMTAKQWTCUDDCB-LLVKDONJSA-N 2 1 297.407 -0.608 20 0 CBADMP CO[C@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482200137 917084227 /nfs/dbraw/zinc/08/42/27/917084227.db2.gz VIBOQCMWZVQZJP-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CO[C@H](C)C[N@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482200137 917084242 /nfs/dbraw/zinc/08/42/42/917084242.db2.gz VIBOQCMWZVQZJP-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP COC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482198927 917086095 /nfs/dbraw/zinc/08/60/95/917086095.db2.gz OHWDKCGWWJVWAS-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP COC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482198927 917086104 /nfs/dbraw/zinc/08/61/04/917086104.db2.gz OHWDKCGWWJVWAS-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482622454 917185834 /nfs/dbraw/zinc/18/58/34/917185834.db2.gz LLKRKVGKRKKTCR-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482622454 917185842 /nfs/dbraw/zinc/18/58/42/917185842.db2.gz LLKRKVGKRKKTCR-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP CN(CC[N@@H+](C)CCN1CCCC1=O)C(=O)CC[NH+](C)C ZINC001482625454 917188237 /nfs/dbraw/zinc/18/82/37/917188237.db2.gz WNMBZDMZUOLWKF-UHFFFAOYSA-N 2 1 298.431 -0.049 20 0 CBADMP CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001482649221 917197818 /nfs/dbraw/zinc/19/78/18/917197818.db2.gz IZCVKTRIDPNHOZ-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001482649221 917197827 /nfs/dbraw/zinc/19/78/27/917197827.db2.gz IZCVKTRIDPNHOZ-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482649221 917197835 /nfs/dbraw/zinc/19/78/35/917197835.db2.gz IZCVKTRIDPNHOZ-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(CC[NH+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482649221 917197841 /nfs/dbraw/zinc/19/78/41/917197841.db2.gz IZCVKTRIDPNHOZ-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001482649646 917198954 /nfs/dbraw/zinc/19/89/54/917198954.db2.gz NXWCSLPUUBEMSH-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001482649646 917198966 /nfs/dbraw/zinc/19/89/66/917198966.db2.gz NXWCSLPUUBEMSH-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482649646 917198978 /nfs/dbraw/zinc/19/89/78/917198978.db2.gz NXWCSLPUUBEMSH-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482649646 917198984 /nfs/dbraw/zinc/19/89/84/917198984.db2.gz NXWCSLPUUBEMSH-VXGBXAGGSA-N 2 1 284.404 -0.408 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC1CC1 ZINC001482758361 917255809 /nfs/dbraw/zinc/25/58/09/917255809.db2.gz ZEXKVTGDBJNTSC-VXGBXAGGSA-N 2 1 255.362 -0.443 20 0 CBADMP CC(C)OCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482790675 917285404 /nfs/dbraw/zinc/28/54/04/917285404.db2.gz HKFPJXIIZAUVSP-OLZOCXBDSA-N 2 1 287.404 -0.570 20 0 CBADMP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482865906 917316469 /nfs/dbraw/zinc/31/64/69/917316469.db2.gz SBQDRDRVKPPNOR-AGIUHOORSA-N 2 1 298.431 -0.053 20 0 CBADMP CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001482969040 917352270 /nfs/dbraw/zinc/35/22/70/917352270.db2.gz GFCAHPDSGFZTIU-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001482969040 917352281 /nfs/dbraw/zinc/35/22/81/917352281.db2.gz GFCAHPDSGFZTIU-OLZOCXBDSA-N 2 1 287.404 -0.474 20 0 CBADMP CNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001483013366 917373197 /nfs/dbraw/zinc/37/31/97/917373197.db2.gz ZIVWTZXRGBEWOF-MUBLQREKSA-N 2 1 296.415 -0.133 20 0 CBADMP Cn1cc(C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C)nn1 ZINC001483054985 917391197 /nfs/dbraw/zinc/39/11/97/917391197.db2.gz UMMYIAHGUBTWQA-SNAWJCMRSA-N 2 1 280.376 -0.471 20 0 CBADMP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483082723 917403325 /nfs/dbraw/zinc/40/33/25/917403325.db2.gz VQOMZEPWNFWMDM-DSYXLKISSA-N 2 1 296.415 -0.322 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC/C=C/C[NH2+][C@H]1CCN(C)C1=O ZINC001483097182 917407492 /nfs/dbraw/zinc/40/74/92/917407492.db2.gz ITHXRNPCJBVIGF-GFUIURDCSA-N 2 1 296.415 -0.181 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C/C[NH2+]CCOC)C1 ZINC001483094967 917407763 /nfs/dbraw/zinc/40/77/63/917407763.db2.gz IJTUJGDWRFDAPD-MUBLQREKSA-N 2 1 285.388 -0.385 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC/C=C/C[NH2+]CCOC)C1 ZINC001483094967 917407770 /nfs/dbraw/zinc/40/77/70/917407770.db2.gz IJTUJGDWRFDAPD-MUBLQREKSA-N 2 1 285.388 -0.385 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC/C=C\C[NH2+][C@@H]1CCN(C)C1=O ZINC001483097180 917409940 /nfs/dbraw/zinc/40/99/40/917409940.db2.gz ITHXRNPCJBVIGF-CFHLNLSMSA-N 2 1 296.415 -0.181 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001483172920 917448838 /nfs/dbraw/zinc/44/88/38/917448838.db2.gz ZLYYMMKKABELBF-GHMZBOCLSA-N 2 1 295.387 -0.025 20 0 CBADMP C[C@H](C[NH2+]CCOCCO)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001483188969 917457069 /nfs/dbraw/zinc/45/70/69/917457069.db2.gz CUYJQMZSZOVIDW-HIFRSBDPSA-N 2 1 299.415 -0.425 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001483197700 917461566 /nfs/dbraw/zinc/46/15/66/917461566.db2.gz PAIKYRZBJZYISA-VXGBXAGGSA-N 2 1 286.420 -0.102 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]C[C@@H](C)O ZINC001483293951 917511673 /nfs/dbraw/zinc/51/16/73/917511673.db2.gz OOLAHDMLWOCIDI-VHSXEESVSA-N 2 1 254.334 -0.333 20 0 CBADMP C[C@H](C[N@@H+](C)CCn1cncn1)NC(=O)C[NH+]1CCCC1 ZINC001483420170 917556996 /nfs/dbraw/zinc/55/69/96/917556996.db2.gz MCXHUOBSECGZMM-CYBMUJFWSA-N 2 1 294.403 -0.190 20 0 CBADMP COCC[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483458243 917568026 /nfs/dbraw/zinc/56/80/26/917568026.db2.gz ZZUHBMYKBAOEQZ-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP COCC[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483458243 917568036 /nfs/dbraw/zinc/56/80/36/917568036.db2.gz ZZUHBMYKBAOEQZ-GFCCVEGCSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1CCCO ZINC001483689397 917641229 /nfs/dbraw/zinc/64/12/29/917641229.db2.gz QHUBOOSXTKDUTI-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001483689397 917641237 /nfs/dbraw/zinc/64/12/37/917641237.db2.gz QHUBOOSXTKDUTI-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001483689397 917641242 /nfs/dbraw/zinc/64/12/42/917641242.db2.gz QHUBOOSXTKDUTI-LBPRGKRZSA-N 2 1 257.378 -0.099 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1C[C@@H](C)O ZINC001483665012 917630956 /nfs/dbraw/zinc/63/09/56/917630956.db2.gz WKNZIEOOXBBATP-NEPJUHHUSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1C[C@@H](C)O ZINC001483665012 917630965 /nfs/dbraw/zinc/63/09/65/917630965.db2.gz WKNZIEOOXBBATP-NEPJUHHUSA-N 2 1 266.345 -0.237 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001483683393 917635915 /nfs/dbraw/zinc/63/59/15/917635915.db2.gz ZJETXOSBMYAHCO-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2CCCO)C1 ZINC001483683393 917635927 /nfs/dbraw/zinc/63/59/27/917635927.db2.gz ZJETXOSBMYAHCO-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2CCCO)C1 ZINC001483683393 917635944 /nfs/dbraw/zinc/63/59/44/917635944.db2.gz ZJETXOSBMYAHCO-STQMWFEESA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001483683389 917636879 /nfs/dbraw/zinc/63/68/79/917636879.db2.gz ZJETXOSBMYAHCO-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2CCCO)C1 ZINC001483683389 917636889 /nfs/dbraw/zinc/63/68/89/917636889.db2.gz ZJETXOSBMYAHCO-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2CCCO)C1 ZINC001483683389 917636899 /nfs/dbraw/zinc/63/68/99/917636899.db2.gz ZJETXOSBMYAHCO-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001483721336 917656761 /nfs/dbraw/zinc/65/67/61/917656761.db2.gz ABJSLQUSVPAZMI-SNVBAGLBSA-N 2 1 268.361 -0.935 20 0 CBADMP CC[C@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CC1)C(N)=O ZINC001483790307 917679772 /nfs/dbraw/zinc/67/97/72/917679772.db2.gz DTZPDNXJDHLREC-NSHDSACASA-N 2 1 293.371 -0.306 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]C[C@H](C)O)CC1 ZINC001483791560 917680041 /nfs/dbraw/zinc/68/00/41/917680041.db2.gz XVNAAPNTOYDVNM-JTQLQIEISA-N 2 1 266.345 -0.189 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCO)CC2)C1 ZINC001483785202 917682485 /nfs/dbraw/zinc/68/24/85/917682485.db2.gz ZLXIXDZSCSWOIC-NSHDSACASA-N 2 1 255.362 -0.441 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001483795556 917684620 /nfs/dbraw/zinc/68/46/20/917684620.db2.gz WYSOQSSPOQROCD-LLVKDONJSA-N 2 1 284.404 -0.301 20 0 CBADMP C[NH+](C)CCCC(=O)N1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001483847380 917685561 /nfs/dbraw/zinc/68/55/61/917685561.db2.gz ZITUFTBPANVCQG-HNNXBMFYSA-N 2 1 296.415 -0.262 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCOCCO)C2)C1 ZINC001484072494 917732664 /nfs/dbraw/zinc/73/26/64/917732664.db2.gz VOQVBYJUVAIYIQ-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCOCCO)C2)C1 ZINC001484072494 917732674 /nfs/dbraw/zinc/73/26/74/917732674.db2.gz VOQVBYJUVAIYIQ-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCOCCO)C2)C1 ZINC001484072494 917732686 /nfs/dbraw/zinc/73/26/86/917732686.db2.gz VOQVBYJUVAIYIQ-ZFWWWQNUSA-N 2 1 299.415 -0.472 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001484251484 917791667 /nfs/dbraw/zinc/79/16/67/917791667.db2.gz OWGMZGWDYWEXTK-FZMZJTMJSA-N 2 1 296.371 -0.875 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001484251484 917791678 /nfs/dbraw/zinc/79/16/78/917791678.db2.gz OWGMZGWDYWEXTK-FZMZJTMJSA-N 2 1 296.371 -0.875 20 0 CBADMP C[NH+](C)CCC(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001484293183 917818893 /nfs/dbraw/zinc/81/88/93/917818893.db2.gz AWORVLZECZSSJA-UHFFFAOYSA-N 2 1 255.362 -0.489 20 0 CBADMP O=C(N[C@@]1(CO)CCC[N@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001484446646 917854174 /nfs/dbraw/zinc/85/41/74/917854174.db2.gz CTRLCQGBKZVWLJ-HNNXBMFYSA-N 2 1 297.399 -0.982 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](CC[NH2+]CCO)C2)C1 ZINC001484514534 917882249 /nfs/dbraw/zinc/88/22/49/917882249.db2.gz LLAZOOMDALYBAI-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](CC[NH2+]CCO)C2)C1 ZINC001484514534 917882264 /nfs/dbraw/zinc/88/22/64/917882264.db2.gz LLAZOOMDALYBAI-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001484639416 917902731 /nfs/dbraw/zinc/90/27/31/917902731.db2.gz RAOHEQUFYBYMEN-LLVKDONJSA-N 2 1 282.388 -0.416 20 0 CBADMP COCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001484671488 917914205 /nfs/dbraw/zinc/91/42/05/917914205.db2.gz PEAFYFWCAUEFAA-QWHCGFSZSA-N 2 1 285.388 -0.456 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CCO)CCOCC2)C1 ZINC001484872170 917954391 /nfs/dbraw/zinc/95/43/91/917954391.db2.gz UVWZCARLDQAGAK-GFCCVEGCSA-N 2 1 285.388 -0.815 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC1CC(C[NH2+][C@H](C)C(N)=O)C1 ZINC001485096506 917993970 /nfs/dbraw/zinc/99/39/70/917993970.db2.gz FMPCAZCDKCVZGA-VOMCLLRMSA-N 2 1 293.371 -0.450 20 0 CBADMP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001485159694 918014348 /nfs/dbraw/zinc/01/43/48/918014348.db2.gz ZBVJFBZNXWNRAN-QWRGUYRKSA-N 2 1 284.404 -0.301 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(N)=O ZINC001485200227 918024525 /nfs/dbraw/zinc/02/45/25/918024525.db2.gz RQSBGLGXOPONRA-GHMZBOCLSA-N 2 1 295.387 -0.060 20 0 CBADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)CCO ZINC001485314749 918071779 /nfs/dbraw/zinc/07/17/79/918071779.db2.gz UPKXXKZGLGUDQZ-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)CCO ZINC001485314749 918071793 /nfs/dbraw/zinc/07/17/93/918071793.db2.gz UPKXXKZGLGUDQZ-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)CCO ZINC001485314749 918071808 /nfs/dbraw/zinc/07/18/08/918071808.db2.gz UPKXXKZGLGUDQZ-NSHDSACASA-N 2 1 257.378 -0.101 20 0 CBADMP CC[C@@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001485373129 918101635 /nfs/dbraw/zinc/10/16/35/918101635.db2.gz KQWNGRUZJNUYSO-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001485614753 918153623 /nfs/dbraw/zinc/15/36/23/918153623.db2.gz QSERIHFGNCFIAU-CNDDSTCGSA-N 2 1 255.362 -0.776 20 0 CBADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001485701379 918170447 /nfs/dbraw/zinc/17/04/47/918170447.db2.gz JFFJYVQKEIDNIM-XYPYZODXSA-N 2 1 270.377 -0.702 20 0 CBADMP CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001485739722 918177685 /nfs/dbraw/zinc/17/76/85/918177685.db2.gz YWTMZIZNDXMTND-CHWSQXEVSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC001485767582 918181376 /nfs/dbraw/zinc/18/13/76/918181376.db2.gz LBAPWAPBVNVAPE-UHFFFAOYSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC001485767582 918181383 /nfs/dbraw/zinc/18/13/83/918181383.db2.gz LBAPWAPBVNVAPE-UHFFFAOYSA-N 2 1 284.404 -0.265 20 0 CBADMP CC(C)[NH+](C)CC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC001485767582 918181391 /nfs/dbraw/zinc/18/13/91/918181391.db2.gz LBAPWAPBVNVAPE-UHFFFAOYSA-N 2 1 284.404 -0.265 20 0 CBADMP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485748946 918182779 /nfs/dbraw/zinc/18/27/79/918182779.db2.gz QEVOSOPFTZTPCQ-GHMZBOCLSA-N 2 1 270.377 -0.702 20 0 CBADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CCn1cncn1 ZINC001485856880 918211671 /nfs/dbraw/zinc/21/16/71/918211671.db2.gz VSRANQIOPIEELR-STQMWFEESA-N 2 1 294.403 -0.191 20 0 CBADMP CC(C)OCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001485983713 918274654 /nfs/dbraw/zinc/27/46/54/918274654.db2.gz VJFSLFONHKYLGU-QWHCGFSZSA-N 2 1 287.404 -0.428 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCCC2)C1 ZINC001485982601 918277845 /nfs/dbraw/zinc/27/78/45/918277845.db2.gz NEAWEKKUNCAUSI-KBPBESRZSA-N 2 1 299.415 -0.426 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCCC2)C1 ZINC001485982601 918277867 /nfs/dbraw/zinc/27/78/67/918277867.db2.gz NEAWEKKUNCAUSI-KBPBESRZSA-N 2 1 299.415 -0.426 20 0 CBADMP CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001486026756 918317634 /nfs/dbraw/zinc/31/76/34/918317634.db2.gz IGKSAFUVWAOGNJ-NWDGAFQWSA-N 2 1 280.372 -0.159 20 0 CBADMP CC[NH2+][C@H](CO)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001486048110 918341926 /nfs/dbraw/zinc/34/19/26/918341926.db2.gz POGWDYIUHMXWLS-LBPRGKRZSA-N 2 1 289.339 -0.033 20 0 CBADMP C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CC[NH+](C)C ZINC001486084992 918359123 /nfs/dbraw/zinc/35/91/23/918359123.db2.gz NYPFJNBVEBXFOX-WDEREUQCSA-N 2 1 295.391 -0.759 20 0 CBADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001486092772 918363907 /nfs/dbraw/zinc/36/39/07/918363907.db2.gz HHWGKLDHFHDIJR-QWHCGFSZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[N@@H+](CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001486203612 918380993 /nfs/dbraw/zinc/38/09/93/918380993.db2.gz ZVYKPWOEWSIDGA-NEPJUHHUSA-N 2 1 296.415 -0.170 20 0 CBADMP Cc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)o1 ZINC001486298860 918414721 /nfs/dbraw/zinc/41/47/21/918414721.db2.gz YVSJMEMIXJSOHZ-GFCCVEGCSA-N 2 1 298.387 -0.156 20 0 CBADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]CCOCCO)C1 ZINC001486457732 918467080 /nfs/dbraw/zinc/46/70/80/918467080.db2.gz JKFYZIXHJDZDKF-RUXDESIVSA-N 2 1 299.415 -0.332 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001488803203 918769832 /nfs/dbraw/zinc/76/98/32/918769832.db2.gz DBBLJZPRCPTCLX-UTUOFQBUSA-N 2 1 284.404 -0.315 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001488817067 918772181 /nfs/dbraw/zinc/77/21/81/918772181.db2.gz UFDPLIIPFKEPJK-JHJVBQTASA-N 2 1 269.389 -0.053 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001490164788 918853105 /nfs/dbraw/zinc/85/31/05/918853105.db2.gz NSNGCHDKYFWELX-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCNC1=O ZINC001490164788 918853125 /nfs/dbraw/zinc/85/31/25/918853125.db2.gz NSNGCHDKYFWELX-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCNC1=O ZINC001490164788 918853139 /nfs/dbraw/zinc/85/31/39/918853139.db2.gz NSNGCHDKYFWELX-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC001490164790 918854579 /nfs/dbraw/zinc/85/45/79/918854579.db2.gz NSNGCHDKYFWELX-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCNC1=O ZINC001490164790 918854588 /nfs/dbraw/zinc/85/45/88/918854588.db2.gz NSNGCHDKYFWELX-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCNC1=O ZINC001490164790 918854596 /nfs/dbraw/zinc/85/45/96/918854596.db2.gz NSNGCHDKYFWELX-RYUDHWBXSA-N 2 1 282.388 -0.593 20 0 CBADMP C[NH+](CC(=O)NCCC[N@H+](C)CC(N)=O)C1CCC1 ZINC001490207148 918866420 /nfs/dbraw/zinc/86/64/20/918866420.db2.gz ACEQMQJUGJCHHK-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP C[NH+](CCCNC(=O)C[N@H+](C)C1CCC1)CC(N)=O ZINC001490207148 918866433 /nfs/dbraw/zinc/86/64/33/918866433.db2.gz ACEQMQJUGJCHHK-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP C[NH+](CCCNC(=O)C[N@@H+](C)C1CCC1)CC(N)=O ZINC001490207148 918866442 /nfs/dbraw/zinc/86/64/42/918866442.db2.gz ACEQMQJUGJCHHK-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP CCNC(=O)C[N@@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001490270391 918881630 /nfs/dbraw/zinc/88/16/30/918881630.db2.gz MYQXFWXMZCCMAX-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+](C)CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001490270391 918881642 /nfs/dbraw/zinc/88/16/42/918881642.db2.gz MYQXFWXMZCCMAX-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCNC(=O)C[NH+](C)CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001490270391 918881656 /nfs/dbraw/zinc/88/16/56/918881656.db2.gz MYQXFWXMZCCMAX-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CCCNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490280235 918886778 /nfs/dbraw/zinc/88/67/78/918886778.db2.gz VVUZNZYFTAXEAY-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCCNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001490280235 918886792 /nfs/dbraw/zinc/88/67/92/918886792.db2.gz VVUZNZYFTAXEAY-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CCCNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001490280235 918886807 /nfs/dbraw/zinc/88/68/07/918886807.db2.gz VVUZNZYFTAXEAY-CYBMUJFWSA-N 2 1 298.431 -0.098 20 0 CBADMP CNC(=O)C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001490394468 918905957 /nfs/dbraw/zinc/90/59/57/918905957.db2.gz VVNMIKZYLFFRHZ-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001490394468 918905968 /nfs/dbraw/zinc/90/59/68/918905968.db2.gz VVNMIKZYLFFRHZ-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490394468 918905974 /nfs/dbraw/zinc/90/59/74/918905974.db2.gz VVNMIKZYLFFRHZ-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001490448041 918909195 /nfs/dbraw/zinc/90/91/95/918909195.db2.gz QDYCCKNUDPXTJT-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001490504527 918922163 /nfs/dbraw/zinc/92/21/63/918922163.db2.gz AXYWWCYQZYTCHS-CQSZACIVSA-N 2 1 298.431 -0.946 20 0 CBADMP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C2)CCC1 ZINC001490546534 918936851 /nfs/dbraw/zinc/93/68/51/918936851.db2.gz WKVWFENBKJTTAM-CYBMUJFWSA-N 2 1 299.415 -0.330 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)CC(N)=O)C1 ZINC001490775892 918968007 /nfs/dbraw/zinc/96/80/07/918968007.db2.gz JMXUUNNNAILJPX-ZDUSSCGKSA-N 2 1 298.431 -0.016 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001490775892 918968015 /nfs/dbraw/zinc/96/80/15/918968015.db2.gz JMXUUNNNAILJPX-ZDUSSCGKSA-N 2 1 298.431 -0.016 20 0 CBADMP CCC[NH+](C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001490775892 918968022 /nfs/dbraw/zinc/96/80/22/918968022.db2.gz JMXUUNNNAILJPX-ZDUSSCGKSA-N 2 1 298.431 -0.016 20 0 CBADMP COCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001490880232 918983848 /nfs/dbraw/zinc/98/38/48/918983848.db2.gz FGAXBMNEDMDDNG-IJLUTSLNSA-N 2 1 271.361 -0.800 20 0 CBADMP COCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001490880232 918983852 /nfs/dbraw/zinc/98/38/52/918983852.db2.gz FGAXBMNEDMDDNG-IJLUTSLNSA-N 2 1 271.361 -0.800 20 0 CBADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001491029490 919012138 /nfs/dbraw/zinc/01/21/38/919012138.db2.gz CFITZYRGJAGQBV-FRRDWIJNSA-N 2 1 296.415 -0.156 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001491078992 919023839 /nfs/dbraw/zinc/02/38/39/919023839.db2.gz CQYAKCVHLHIRPG-RTXFEEFZSA-N 2 1 294.399 -0.547 20 0 CBADMP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001491080047 919023949 /nfs/dbraw/zinc/02/39/49/919023949.db2.gz IWCPPWKFIVZJAO-TXEJJXNPSA-N 2 1 294.403 -0.108 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001491080047 919023965 /nfs/dbraw/zinc/02/39/65/919023965.db2.gz IWCPPWKFIVZJAO-TXEJJXNPSA-N 2 1 294.403 -0.108 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001491120466 919039312 /nfs/dbraw/zinc/03/93/12/919039312.db2.gz OPYAZXWIWSUSEM-ZDUSSCGKSA-N 2 1 298.431 -0.098 20 0 CBADMP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001491190253 919073176 /nfs/dbraw/zinc/07/31/76/919073176.db2.gz JNQXRZPIPYUJPC-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001491295586 919108890 /nfs/dbraw/zinc/10/88/90/919108890.db2.gz CMCNUPAMXFOXRN-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](C(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC001491318652 919114525 /nfs/dbraw/zinc/11/45/25/919114525.db2.gz VHKCZDMSSJFYBV-RYUDHWBXSA-N 2 1 284.404 -0.489 20 0 CBADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CCCO ZINC001491580961 919216704 /nfs/dbraw/zinc/21/67/04/919216704.db2.gz YBDUGJXLOVHMRL-NEPJUHHUSA-N 2 1 257.378 -0.195 20 0 CBADMP C[NH+](C)CCC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001491710835 919261494 /nfs/dbraw/zinc/26/14/94/919261494.db2.gz CVLFMXAZXXAIFA-GFCCVEGCSA-N 2 1 284.404 -0.488 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCCCNC(=O)CC[NH+](C)C ZINC001491753347 919270218 /nfs/dbraw/zinc/27/02/18/919270218.db2.gz YYOYUMLRMLSQEC-UHFFFAOYSA-N 2 1 295.387 -0.234 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCOCCO)C2)C1 ZINC001491771123 919271914 /nfs/dbraw/zinc/27/19/14/919271914.db2.gz UHRUCLTVODJEQD-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001492058802 919320736 /nfs/dbraw/zinc/32/07/36/919320736.db2.gz TVSPTSWBKHSZJY-MWLCHTKSSA-N 2 1 281.360 -0.450 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCn1cncn1 ZINC001492214885 919353368 /nfs/dbraw/zinc/35/33/68/919353368.db2.gz FDXRGAKGQVBZMT-LBPRGKRZSA-N 2 1 280.376 -0.580 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CCn1cncn1 ZINC001492214885 919353379 /nfs/dbraw/zinc/35/33/79/919353379.db2.gz FDXRGAKGQVBZMT-LBPRGKRZSA-N 2 1 280.376 -0.580 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CCn1cncn1 ZINC001492214885 919353397 /nfs/dbraw/zinc/35/33/97/919353397.db2.gz FDXRGAKGQVBZMT-LBPRGKRZSA-N 2 1 280.376 -0.580 20 0 CBADMP CC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCNC1=O ZINC001493012732 919469215 /nfs/dbraw/zinc/46/92/15/919469215.db2.gz UIKOHTVUSUTPGI-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001493059062 919475004 /nfs/dbraw/zinc/47/50/04/919475004.db2.gz VEAFKGPVFIGGBQ-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001493059062 919475018 /nfs/dbraw/zinc/47/50/18/919475018.db2.gz VEAFKGPVFIGGBQ-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CC[C@H](C(N)=O)[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001493059062 919475030 /nfs/dbraw/zinc/47/50/30/919475030.db2.gz VEAFKGPVFIGGBQ-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001493157039 919491270 /nfs/dbraw/zinc/49/12/70/919491270.db2.gz VDZJBRZIZUWBHI-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001493157039 919491277 /nfs/dbraw/zinc/49/12/77/919491277.db2.gz VDZJBRZIZUWBHI-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001493157039 919491290 /nfs/dbraw/zinc/49/12/90/919491290.db2.gz VDZJBRZIZUWBHI-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001493157039 919491299 /nfs/dbraw/zinc/49/12/99/919491299.db2.gz VDZJBRZIZUWBHI-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001493236932 919507376 /nfs/dbraw/zinc/50/73/76/919507376.db2.gz OCQVLQCIEOERMP-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001493236932 919507383 /nfs/dbraw/zinc/50/73/83/919507383.db2.gz OCQVLQCIEOERMP-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001493236932 919507397 /nfs/dbraw/zinc/50/73/97/919507397.db2.gz OCQVLQCIEOERMP-OLZOCXBDSA-N 2 1 296.415 -0.488 20 0 CBADMP CN(CC[NH2+]CCOCC1CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001493507946 919564573 /nfs/dbraw/zinc/56/45/73/919564573.db2.gz LIVHMCLZOATZJM-AWEZNQCLSA-N 2 1 299.415 -0.208 20 0 CBADMP CN(CC[NH2+]CCOCC1CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001493507946 919564584 /nfs/dbraw/zinc/56/45/84/919564584.db2.gz LIVHMCLZOATZJM-AWEZNQCLSA-N 2 1 299.415 -0.208 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+]CC(=O)NC2CC2)C1 ZINC001493695804 919609472 /nfs/dbraw/zinc/60/94/72/919609472.db2.gz WFSLUDYIQNDEDN-GFCCVEGCSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@H](C)COC)C1 ZINC001493800973 919623810 /nfs/dbraw/zinc/62/38/10/919623810.db2.gz OTZYLAXBULWZRU-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@H](C)COC)C1 ZINC001493800973 919623813 /nfs/dbraw/zinc/62/38/13/919623813.db2.gz OTZYLAXBULWZRU-OLZOCXBDSA-N 2 1 287.404 -0.210 20 0 CBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001493806843 919625986 /nfs/dbraw/zinc/62/59/86/919625986.db2.gz PZVILYNZTYIMCW-SNVBAGLBSA-N 2 1 258.366 -0.752 20 0 CBADMP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001494121726 919657462 /nfs/dbraw/zinc/65/74/62/919657462.db2.gz GWLXXPDVPBGOFE-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001494121726 919657472 /nfs/dbraw/zinc/65/74/72/919657472.db2.gz GWLXXPDVPBGOFE-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001494121726 919657478 /nfs/dbraw/zinc/65/74/78/919657478.db2.gz GWLXXPDVPBGOFE-NEPJUHHUSA-N 2 1 282.388 -0.654 20 0 CBADMP C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001494141536 919662975 /nfs/dbraw/zinc/66/29/75/919662975.db2.gz NFKKJLKFPXUDDG-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001494141536 919662985 /nfs/dbraw/zinc/66/29/85/919662985.db2.gz NFKKJLKFPXUDDG-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001494141536 919662999 /nfs/dbraw/zinc/66/29/99/919662999.db2.gz NFKKJLKFPXUDDG-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001494206519 919670237 /nfs/dbraw/zinc/67/02/37/919670237.db2.gz NNZKQYBTXLGWGU-GFCCVEGCSA-N 2 1 298.431 -0.018 20 0 CBADMP CC[N@H+](C)CCC(=O)NCC1C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001494611600 919749459 /nfs/dbraw/zinc/74/94/59/919749459.db2.gz NRZRQDVEWQLXPF-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP CC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001494611600 919749465 /nfs/dbraw/zinc/74/94/65/919749465.db2.gz NRZRQDVEWQLXPF-GFCCVEGCSA-N 2 1 298.431 -0.147 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001494722471 919778587 /nfs/dbraw/zinc/77/85/87/919778587.db2.gz NJJUQDHDBVWMQT-WDEREUQCSA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001494722471 919778593 /nfs/dbraw/zinc/77/85/93/919778593.db2.gz NJJUQDHDBVWMQT-WDEREUQCSA-N 2 1 268.361 -0.983 20 0 CBADMP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001494855865 919803773 /nfs/dbraw/zinc/80/37/73/919803773.db2.gz IVYBYQIKNLDBDZ-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001494855865 919803783 /nfs/dbraw/zinc/80/37/83/919803783.db2.gz IVYBYQIKNLDBDZ-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001494855865 919803788 /nfs/dbraw/zinc/80/37/88/919803788.db2.gz IVYBYQIKNLDBDZ-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001494855865 919803797 /nfs/dbraw/zinc/80/37/97/919803797.db2.gz IVYBYQIKNLDBDZ-NSHDSACASA-N 2 1 270.377 -0.654 20 0 CBADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001494849142 919805619 /nfs/dbraw/zinc/80/56/19/919805619.db2.gz WMIWBKCUASFHQT-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001494862966 919809130 /nfs/dbraw/zinc/80/91/30/919809130.db2.gz JVCLQMQFDAZTQW-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001494862966 919809146 /nfs/dbraw/zinc/80/91/46/919809146.db2.gz JVCLQMQFDAZTQW-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001494862966 919809163 /nfs/dbraw/zinc/80/91/63/919809163.db2.gz JVCLQMQFDAZTQW-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001494862966 919809183 /nfs/dbraw/zinc/80/91/83/919809183.db2.gz JVCLQMQFDAZTQW-NEPJUHHUSA-N 2 1 284.404 -0.265 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCCOC ZINC001494960032 919825911 /nfs/dbraw/zinc/82/59/11/919825911.db2.gz SGNKSGFFWQCAPN-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCCOC ZINC001494960032 919825926 /nfs/dbraw/zinc/82/59/26/919825926.db2.gz SGNKSGFFWQCAPN-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1nnnn1C ZINC001495052042 919851262 /nfs/dbraw/zinc/85/12/62/919851262.db2.gz YBMGLSJSGPANPT-MNOVXSKESA-N 2 1 297.407 -0.293 20 0 CBADMP CCCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001495106982 919863591 /nfs/dbraw/zinc/86/35/91/919863591.db2.gz JKCQABIWGSYFIW-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CC[NH+](C)C ZINC001495542240 919900388 /nfs/dbraw/zinc/90/03/88/919900388.db2.gz IGFLFHUJFIKPPS-CHWSQXEVSA-N 2 1 298.431 -0.099 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001495548978 919900483 /nfs/dbraw/zinc/90/04/83/919900483.db2.gz PGAMQTMTWATZIB-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001495541575 919902816 /nfs/dbraw/zinc/90/28/16/919902816.db2.gz ZPJPSYRRGZMGFS-CYBMUJFWSA-N 2 1 296.415 -0.358 20 0 CBADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001495816254 919954616 /nfs/dbraw/zinc/95/46/16/919954616.db2.gz SDXCBHHAYCKMCD-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CCC[N@@H+](C)CC(=O)N(C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001495912136 919985491 /nfs/dbraw/zinc/98/54/91/919985491.db2.gz SWVBQVWINDVOLO-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001495912136 919985509 /nfs/dbraw/zinc/98/55/09/919985509.db2.gz SWVBQVWINDVOLO-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[NH+](C)CC(=O)N(C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001495912136 919985526 /nfs/dbraw/zinc/98/55/26/919985526.db2.gz SWVBQVWINDVOLO-ZDUSSCGKSA-N 2 1 298.431 -0.003 20 0 CBADMP COCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001496031533 920008240 /nfs/dbraw/zinc/00/82/40/920008240.db2.gz UARXGVNZHIOFEQ-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP COCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001496031533 920008252 /nfs/dbraw/zinc/00/82/52/920008252.db2.gz UARXGVNZHIOFEQ-NWDGAFQWSA-N 2 1 273.377 -0.600 20 0 CBADMP C[C@H](C[NH2+][C@H](C)c1nnnn1C)N(C)C(=O)CC[NH+](C)C ZINC001496149588 920034502 /nfs/dbraw/zinc/03/45/02/920034502.db2.gz MPRJBLVHOKWECY-GHMZBOCLSA-N 2 1 297.407 -0.341 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496230032 920046810 /nfs/dbraw/zinc/04/68/10/920046810.db2.gz PDNOTGXLQKYUGU-QWRGUYRKSA-N 2 1 295.391 -0.902 20 0 CBADMP C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496230032 920046821 /nfs/dbraw/zinc/04/68/21/920046821.db2.gz PDNOTGXLQKYUGU-QWRGUYRKSA-N 2 1 295.391 -0.902 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC(CC[N@@H+](C)CC(N)=O)CC1 ZINC001496509679 920079306 /nfs/dbraw/zinc/07/93/06/920079306.db2.gz XAKUZRSEGYNILS-UHFFFAOYSA-N 2 1 298.431 -0.016 20 0 CBADMP CN(CC[N@@H+](C)CCn1cncn1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001496835005 920140802 /nfs/dbraw/zinc/14/08/02/920140802.db2.gz CPNWENAGXKFGIU-ZDUSSCGKSA-N 2 1 294.403 -0.380 20 0 CBADMP CN(CC[NH+](C)CCn1cncn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496835005 920140811 /nfs/dbraw/zinc/14/08/11/920140811.db2.gz CPNWENAGXKFGIU-ZDUSSCGKSA-N 2 1 294.403 -0.380 20 0 CBADMP CN(CC[NH+](C)CCn1cncn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496835005 920140822 /nfs/dbraw/zinc/14/08/22/920140822.db2.gz CPNWENAGXKFGIU-ZDUSSCGKSA-N 2 1 294.403 -0.380 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCCF ZINC001497001007 920199759 /nfs/dbraw/zinc/19/97/59/920199759.db2.gz GJBHQUBZTQXGLD-NEPJUHHUSA-N 2 1 275.368 -0.103 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCCF ZINC001497001008 920202678 /nfs/dbraw/zinc/20/26/78/920202678.db2.gz GJBHQUBZTQXGLD-NWDGAFQWSA-N 2 1 275.368 -0.103 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001497053736 920230462 /nfs/dbraw/zinc/23/04/62/920230462.db2.gz LBJXXDPCQBEGGX-AAEUAGOBSA-N 2 1 269.389 -0.195 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC2CC2)C1 ZINC001497119340 920253110 /nfs/dbraw/zinc/25/31/10/920253110.db2.gz UNGRJJSPZVAMKF-OLZOCXBDSA-N 2 1 285.388 -0.816 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC2CC2)C1 ZINC001497119340 920253122 /nfs/dbraw/zinc/25/31/22/920253122.db2.gz UNGRJJSPZVAMKF-OLZOCXBDSA-N 2 1 285.388 -0.816 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CC[NH2+][C@H](C)C(N)=O ZINC001497231793 920273503 /nfs/dbraw/zinc/27/35/03/920273503.db2.gz XDDKTSSMQCJGRY-MWLCHTKSSA-N 2 1 281.360 -0.450 20 0 CBADMP C[C@@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497324011 920285909 /nfs/dbraw/zinc/28/59/09/920285909.db2.gz RRAIALPHJLVFKN-QWRGUYRKSA-N 2 1 295.391 -0.854 20 0 CBADMP C[C@@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497324011 920285926 /nfs/dbraw/zinc/28/59/26/920285926.db2.gz RRAIALPHJLVFKN-QWRGUYRKSA-N 2 1 295.391 -0.854 20 0 CBADMP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497383131 920297833 /nfs/dbraw/zinc/29/78/33/920297833.db2.gz GEXGSSDGLJQUSP-CHWSQXEVSA-N 2 1 298.431 -0.147 20 0 CBADMP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001497484035 920312781 /nfs/dbraw/zinc/31/27/81/920312781.db2.gz HKSDNLRWFUZONW-OLZOCXBDSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@H](O)CCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001497552838 920335929 /nfs/dbraw/zinc/33/59/29/920335929.db2.gz SJTQLINHYLMBOD-NVFZZLLCSA-N 2 1 299.415 -0.260 20 0 CBADMP C[C@H](O)CCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001497552838 920335949 /nfs/dbraw/zinc/33/59/49/920335949.db2.gz SJTQLINHYLMBOD-NVFZZLLCSA-N 2 1 299.415 -0.260 20 0 CBADMP CNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001497651657 920363123 /nfs/dbraw/zinc/36/31/23/920363123.db2.gz XRILXXVNWKLTCD-XLMCQVRKSA-N 2 1 282.388 -0.523 20 0 CBADMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)C1([NH+](C)C)CCC1 ZINC001497827724 920404983 /nfs/dbraw/zinc/40/49/83/920404983.db2.gz OWMNBVRLRQWWIS-LLVKDONJSA-N 2 1 294.403 -0.106 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001497940065 920426986 /nfs/dbraw/zinc/42/69/86/920426986.db2.gz IHINKFRBUXDIDT-GHMZBOCLSA-N 2 1 295.387 -0.060 20 0 CBADMP C[C@H](CNCc1cnon1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497983594 920433073 /nfs/dbraw/zinc/43/30/73/920433073.db2.gz HXLFOCPKWHBESG-ZJUUUORDSA-N 2 1 267.333 -0.384 20 0 CBADMP C[C@H](C[NH2+]Cc1cnon1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497983594 920433083 /nfs/dbraw/zinc/43/30/83/920433083.db2.gz HXLFOCPKWHBESG-ZJUUUORDSA-N 2 1 267.333 -0.384 20 0 CBADMP C[C@H](C[NH2+]Cc1cnon1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497983594 920433090 /nfs/dbraw/zinc/43/30/90/920433090.db2.gz HXLFOCPKWHBESG-ZJUUUORDSA-N 2 1 267.333 -0.384 20 0 CBADMP C[C@@H]([NH2+]C[C@H](C)NC(=O)CCC[NH+](C)C)c1nnnn1C ZINC001498097983 920478993 /nfs/dbraw/zinc/47/89/93/920478993.db2.gz FXWDPMGRDNHRLA-WDEREUQCSA-N 2 1 297.407 -0.293 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001498118653 920490304 /nfs/dbraw/zinc/49/03/04/920490304.db2.gz VFQXLJQYSGWURJ-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001498118653 920490313 /nfs/dbraw/zinc/49/03/13/920490313.db2.gz VFQXLJQYSGWURJ-RYUDHWBXSA-N 2 1 294.403 -0.249 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]CCCOC)C1 ZINC001498197975 920515232 /nfs/dbraw/zinc/51/52/32/920515232.db2.gz MTTADYCVWPTQNV-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]CCCOC)C1 ZINC001498197975 920515247 /nfs/dbraw/zinc/51/52/47/920515247.db2.gz MTTADYCVWPTQNV-QWHCGFSZSA-N 2 1 287.404 -0.162 20 0 CBADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001498373935 920566768 /nfs/dbraw/zinc/56/67/68/920566768.db2.gz AQAWGGOHWJNQDE-JTQLQIEISA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001498373935 920566787 /nfs/dbraw/zinc/56/67/87/920566787.db2.gz AQAWGGOHWJNQDE-JTQLQIEISA-N 2 1 270.377 -0.750 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001498391769 920571688 /nfs/dbraw/zinc/57/16/88/920571688.db2.gz WCCGSWDSVIOAQE-UHFFFAOYSA-N 2 1 284.404 -0.393 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H]1CCNC1=O ZINC001498433630 920582260 /nfs/dbraw/zinc/58/22/60/920582260.db2.gz IRSOMIMAPUENBV-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H]1CCNC1=O ZINC001498433630 920582265 /nfs/dbraw/zinc/58/22/65/920582265.db2.gz IRSOMIMAPUENBV-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001498433630 920582280 /nfs/dbraw/zinc/58/22/80/920582280.db2.gz IRSOMIMAPUENBV-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001498433630 920582295 /nfs/dbraw/zinc/58/22/95/920582295.db2.gz IRSOMIMAPUENBV-RYUDHWBXSA-N 2 1 284.404 -0.347 20 0 CBADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H](C)C(N)=O ZINC001498432950 920583573 /nfs/dbraw/zinc/58/35/73/920583573.db2.gz ATTRIAIGLMXPAD-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H](C)C(N)=O ZINC001498432950 920583584 /nfs/dbraw/zinc/58/35/84/920583584.db2.gz ATTRIAIGLMXPAD-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001498432950 920583591 /nfs/dbraw/zinc/58/35/91/920583591.db2.gz ATTRIAIGLMXPAD-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001498432950 920583603 /nfs/dbraw/zinc/58/36/03/920583603.db2.gz ATTRIAIGLMXPAD-WDEREUQCSA-N 2 1 272.393 -0.362 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001498525968 920602600 /nfs/dbraw/zinc/60/26/00/920602600.db2.gz IFVPHALTRPRPKJ-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP COC[C@@H](O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001498525967 920603698 /nfs/dbraw/zinc/60/36/98/920603698.db2.gz IFVPHALTRPRPKJ-QWHCGFSZSA-N 2 1 287.404 -0.474 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(N)=O ZINC001498556203 920608548 /nfs/dbraw/zinc/60/85/48/920608548.db2.gz KKXJLIRFLAEGKV-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCC[NH2+][C@H]2CCNC2=O)C1 ZINC001498611792 920616379 /nfs/dbraw/zinc/61/63/79/920616379.db2.gz BGCAXZWPIGDOAE-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001499352055 920738694 /nfs/dbraw/zinc/73/86/94/920738694.db2.gz IZFDINMDWNKYDW-RYUDHWBXSA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]C[C@H](C)O)CC1 ZINC001499427427 920747763 /nfs/dbraw/zinc/74/77/63/920747763.db2.gz ZWLUXZKXPGHDSJ-NSHDSACASA-N 2 1 257.378 -0.053 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCO ZINC001499916438 920784815 /nfs/dbraw/zinc/78/48/15/920784815.db2.gz PGAMQTMTWATZIB-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001500765691 920876460 /nfs/dbraw/zinc/87/64/60/920876460.db2.gz FTDDMXFIJHSUHU-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001500765691 920876475 /nfs/dbraw/zinc/87/64/75/920876475.db2.gz FTDDMXFIJHSUHU-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001500765691 920876487 /nfs/dbraw/zinc/87/64/87/920876487.db2.gz FTDDMXFIJHSUHU-HIFRSBDPSA-N 2 1 299.415 -0.594 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001500765692 920878759 /nfs/dbraw/zinc/87/87/59/920878759.db2.gz FTDDMXFIJHSUHU-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001500765692 920878777 /nfs/dbraw/zinc/87/87/77/920878777.db2.gz FTDDMXFIJHSUHU-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001500765692 920878794 /nfs/dbraw/zinc/87/87/94/920878794.db2.gz FTDDMXFIJHSUHU-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP CCOCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500763241 920880350 /nfs/dbraw/zinc/88/03/50/920880350.db2.gz UCAIOBQLRONHEG-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP CCOCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500763241 920880370 /nfs/dbraw/zinc/88/03/70/920880370.db2.gz UCAIOBQLRONHEG-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP CCOCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500763241 920880382 /nfs/dbraw/zinc/88/03/82/920880382.db2.gz UCAIOBQLRONHEG-UKRRQHHQSA-N 2 1 299.415 -0.472 20 0 CBADMP CCOCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001500763239 920881815 /nfs/dbraw/zinc/88/18/15/920881815.db2.gz UCAIOBQLRONHEG-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP CCOCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001500763239 920881827 /nfs/dbraw/zinc/88/18/27/920881827.db2.gz UCAIOBQLRONHEG-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP CCOCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500763239 920881843 /nfs/dbraw/zinc/88/18/43/920881843.db2.gz UCAIOBQLRONHEG-DZGCQCFKSA-N 2 1 299.415 -0.472 20 0 CBADMP O=C(NCC1(O)C[NH+](CC2CC2)C1)C12CC[NH+](CC1)C2 ZINC001500965522 920928719 /nfs/dbraw/zinc/92/87/19/920928719.db2.gz QENFTKNNNLUOMB-UHFFFAOYSA-N 2 1 279.384 -0.345 20 0 CBADMP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001501051087 920941114 /nfs/dbraw/zinc/94/11/14/920941114.db2.gz RHAZTOSBRLUQJQ-NWDGAFQWSA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001501084379 920947772 /nfs/dbraw/zinc/94/77/72/920947772.db2.gz UTIZQMUUFGZJMA-VXGBXAGGSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001501400907 920994893 /nfs/dbraw/zinc/99/48/93/920994893.db2.gz ZYYDKGABSKIAHV-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001501400907 920994903 /nfs/dbraw/zinc/99/49/03/920994903.db2.gz ZYYDKGABSKIAHV-VXGBXAGGSA-N 2 1 282.388 -0.511 20 0 CBADMP CC[NH2+]CCN(CCO)C(=O)c1cc(C[NH+](C)C)on1 ZINC001501469683 921023903 /nfs/dbraw/zinc/02/39/03/921023903.db2.gz SEHAYZGJIXLQPA-UHFFFAOYSA-N 2 1 284.360 -0.220 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CC[NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001501568592 921039459 /nfs/dbraw/zinc/03/94/59/921039459.db2.gz NAYBCDFXUVBXIU-JHJVBQTASA-N 2 1 296.415 -0.360 20 0 CBADMP CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001507484494 921847180 /nfs/dbraw/zinc/84/71/80/921847180.db2.gz DMAOWYNVOLUBJW-LBPRGKRZSA-N 2 1 257.378 -0.101 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001507406025 921819476 /nfs/dbraw/zinc/81/94/76/921819476.db2.gz BTJGSKMQCJQKRS-NEPJUHHUSA-N 2 1 293.371 -0.449 20 0 CBADMP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001507567278 921866861 /nfs/dbraw/zinc/86/68/61/921866861.db2.gz MQIRIBFWOQOPFI-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001507567278 921866873 /nfs/dbraw/zinc/86/68/73/921866873.db2.gz MQIRIBFWOQOPFI-NEPJUHHUSA-N 2 1 273.377 -0.864 20 0 CBADMP COCC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C(C)C ZINC001508044235 921903116 /nfs/dbraw/zinc/90/31/16/921903116.db2.gz XMHUAAQDUHFIDM-CYBMUJFWSA-N 2 1 287.404 -0.210 20 0 CBADMP COCC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C(C)C ZINC001508044235 921903123 /nfs/dbraw/zinc/90/31/23/921903123.db2.gz XMHUAAQDUHFIDM-CYBMUJFWSA-N 2 1 287.404 -0.210 20 0 CBADMP COCC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001508044235 921903126 /nfs/dbraw/zinc/90/31/26/921903126.db2.gz XMHUAAQDUHFIDM-CYBMUJFWSA-N 2 1 287.404 -0.210 20 0 CBADMP COCC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001508044235 921903135 /nfs/dbraw/zinc/90/31/35/921903135.db2.gz XMHUAAQDUHFIDM-CYBMUJFWSA-N 2 1 287.404 -0.210 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)CN1CCC(CO)CC1 ZINC001514603927 922209509 /nfs/dbraw/zinc/20/95/09/922209509.db2.gz JUYOJNJTNQVMJQ-LBPRGKRZSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H](NC(=O)C[NH2+]C1CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001515359364 922229874 /nfs/dbraw/zinc/22/98/74/922229874.db2.gz OMFVMSQKRDJEBW-CMPLNLGQSA-N 2 1 254.378 -0.511 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001515356255 922230541 /nfs/dbraw/zinc/23/05/41/922230541.db2.gz BEUOGUYVEMGIAA-BJDJZHNGSA-N 2 1 256.394 -0.280 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C ZINC001515356255 922230550 /nfs/dbraw/zinc/23/05/50/922230550.db2.gz BEUOGUYVEMGIAA-BJDJZHNGSA-N 2 1 256.394 -0.280 20 0 CBADMP C[C@H](NC(=O)C[NH2+]C1CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001515359373 922230839 /nfs/dbraw/zinc/23/08/39/922230839.db2.gz OMFVMSQKRDJEBW-JQWIXIFHSA-N 2 1 254.378 -0.511 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001520421399 922308136 /nfs/dbraw/zinc/30/81/36/922308136.db2.gz BAWSYUDUKARHFX-AAEUAGOBSA-N 2 1 255.362 -0.394 20 0 CBADMP C[C@@H](C(=O)N1CCN(C2C[NH+](C)C2)CC1)[NH+](C)C ZINC001520659894 922314021 /nfs/dbraw/zinc/31/40/21/922314021.db2.gz HNWCHGUGLFCZLS-NSHDSACASA-N 2 1 254.378 -0.605 20 0 CBADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC[NH+](C)C ZINC001520729531 922317863 /nfs/dbraw/zinc/31/78/63/922317863.db2.gz SEEZPULOUWBGOU-NWDGAFQWSA-N 2 1 254.378 -0.557 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)C1CC1 ZINC001521469857 922357386 /nfs/dbraw/zinc/35/73/86/922357386.db2.gz LGXLOXOLYKSSOB-ZDUSSCGKSA-N 2 1 296.415 -0.216 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CC1 ZINC001521504005 922361854 /nfs/dbraw/zinc/36/18/54/922361854.db2.gz MODFWSQYOXATRU-RQJABVFESA-N 2 1 280.416 -0.277 20 0 CBADMP C[NH2+]CCCCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001521518747 922365531 /nfs/dbraw/zinc/36/55/31/922365531.db2.gz HTEMUIPYMSNUJD-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)CC[N@H+]1C ZINC001522857766 922538651 /nfs/dbraw/zinc/53/86/51/922538651.db2.gz NQURUGPCUTYLLR-WZRBSPASSA-N 2 1 255.362 -0.300 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)NCCCCC[NH+]1CCNCC1 ZINC001522931536 922548328 /nfs/dbraw/zinc/54/83/28/922548328.db2.gz OCOUAMRMKPSPTR-ZDUSSCGKSA-N 2 1 286.420 -0.458 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NCCCCC[NH+]1CCNCC1 ZINC001522931534 922549476 /nfs/dbraw/zinc/54/94/76/922549476.db2.gz OCOUAMRMKPSPTR-CYBMUJFWSA-N 2 1 286.420 -0.458 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001524029225 922614118 /nfs/dbraw/zinc/61/41/18/922614118.db2.gz KDLKGHGLGJHMFG-TUAOUCFPSA-N 2 1 256.394 -0.280 20 0 CBADMP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001523475509 922596068 /nfs/dbraw/zinc/59/60/68/922596068.db2.gz XHJJUWQIGYWYDA-PSASIEDQSA-N 2 1 267.333 -0.859 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC001527473544 922755107 /nfs/dbraw/zinc/75/51/07/922755107.db2.gz GLMLGSQHINFAME-FRRDWIJNSA-N 2 1 266.389 -0.557 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001527473544 922755119 /nfs/dbraw/zinc/75/51/19/922755119.db2.gz GLMLGSQHINFAME-FRRDWIJNSA-N 2 1 266.389 -0.557 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001527473544 922755129 /nfs/dbraw/zinc/75/51/29/922755129.db2.gz GLMLGSQHINFAME-FRRDWIJNSA-N 2 1 266.389 -0.557 20 0 CBADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001527708789 922767039 /nfs/dbraw/zinc/76/70/39/922767039.db2.gz ZWMGRCRULAVZLI-STQMWFEESA-N 2 1 268.405 -0.169 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001527708789 922767054 /nfs/dbraw/zinc/76/70/54/922767054.db2.gz ZWMGRCRULAVZLI-STQMWFEESA-N 2 1 268.405 -0.169 20 0 CBADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001527708789 922767073 /nfs/dbraw/zinc/76/70/73/922767073.db2.gz ZWMGRCRULAVZLI-STQMWFEESA-N 2 1 268.405 -0.169 20 0 CBADMP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001529329912 922887045 /nfs/dbraw/zinc/88/70/45/922887045.db2.gz WOYXIBFZHRZRMM-RVMXOQNASA-N 2 1 267.373 -0.227 20 0 CBADMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001529329912 922887053 /nfs/dbraw/zinc/88/70/53/922887053.db2.gz WOYXIBFZHRZRMM-RVMXOQNASA-N 2 1 267.373 -0.227 20 0 CBADMP C[NH+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001529329912 922887066 /nfs/dbraw/zinc/88/70/66/922887066.db2.gz WOYXIBFZHRZRMM-RVMXOQNASA-N 2 1 267.373 -0.227 20 0 CBADMP C[NH+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001529329912 922887072 /nfs/dbraw/zinc/88/70/72/922887072.db2.gz WOYXIBFZHRZRMM-RVMXOQNASA-N 2 1 267.373 -0.227 20 0 CBADMP C[NH+](C)CCC(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001530768761 922966759 /nfs/dbraw/zinc/96/67/59/922966759.db2.gz HIAPCWZLKGVHFI-CYBMUJFWSA-N 2 1 296.415 -0.536 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)[C@H]1CCC[NH+]1C ZINC001533856554 923125316 /nfs/dbraw/zinc/12/53/16/923125316.db2.gz DTWIDCRVOCELCK-FRRDWIJNSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001534032520 923132841 /nfs/dbraw/zinc/13/28/41/923132841.db2.gz DTWIDCRVOCELCK-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001534032520 923132850 /nfs/dbraw/zinc/13/28/50/923132850.db2.gz DTWIDCRVOCELCK-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001534032520 923132867 /nfs/dbraw/zinc/13/28/67/923132867.db2.gz DTWIDCRVOCELCK-XQQFMLRXSA-N 2 1 296.415 -0.204 20 0 CBADMP CCN1CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001543383392 923288366 /nfs/dbraw/zinc/28/83/66/923288366.db2.gz KIDQNWHOWKKPDW-NEPJUHHUSA-N 2 1 254.378 -0.557 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548553917 923375679 /nfs/dbraw/zinc/37/56/79/923375679.db2.gz POQFUZPOAUUKHR-DYEKYZERSA-N 2 1 283.372 -0.798 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC1 ZINC001548559906 923383111 /nfs/dbraw/zinc/38/31/11/923383111.db2.gz WNVVEQHYZCQNNN-HIFRSBDPSA-N 2 1 297.399 -0.454 20 0 CBADMP O=C(NCC[C@@H]1CSCC[NH2+]1)[C@H]1COCC[NH2+]1 ZINC001548562443 923386816 /nfs/dbraw/zinc/38/68/16/923386816.db2.gz DAOCUBXTKWWNBY-NXEZZACHSA-N 2 1 259.375 -0.814 20 0 CBADMP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001548569695 923389097 /nfs/dbraw/zinc/38/90/97/923389097.db2.gz RGQOUGZHVMMCLQ-HIFRSBDPSA-N 2 1 297.399 -0.576 20 0 CBADMP CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)CC1 ZINC001548643796 923425244 /nfs/dbraw/zinc/42/52/44/923425244.db2.gz VIMBKAKZMUKPLJ-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001548643796 923425257 /nfs/dbraw/zinc/42/52/57/923425257.db2.gz VIMBKAKZMUKPLJ-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548643796 923425266 /nfs/dbraw/zinc/42/52/66/923425266.db2.gz VIMBKAKZMUKPLJ-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC001548643105 923426836 /nfs/dbraw/zinc/42/68/36/923426836.db2.gz AJYJOODQNXZRFI-YUELXQCFSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001548643105 923426848 /nfs/dbraw/zinc/42/68/48/923426848.db2.gz AJYJOODQNXZRFI-YUELXQCFSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001548643105 923426857 /nfs/dbraw/zinc/42/68/57/923426857.db2.gz AJYJOODQNXZRFI-YUELXQCFSA-N 2 1 292.427 -0.025 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC001548643465 923428272 /nfs/dbraw/zinc/42/82/72/923428272.db2.gz LSUUJEMEGXTQEO-RDBSUJKOSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC001548643465 923428288 /nfs/dbraw/zinc/42/82/88/923428288.db2.gz LSUUJEMEGXTQEO-RDBSUJKOSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001548643465 923428294 /nfs/dbraw/zinc/42/82/94/923428294.db2.gz LSUUJEMEGXTQEO-RDBSUJKOSA-N 2 1 280.416 -0.167 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC001548694723 923458147 /nfs/dbraw/zinc/45/81/47/923458147.db2.gz YZBZNQXJMHYGLS-CHWSQXEVSA-N 2 1 278.400 -0.461 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC001548707942 923467019 /nfs/dbraw/zinc/46/70/19/923467019.db2.gz FXRDHICNIMGBBZ-YCPHGPKFSA-N 2 1 292.427 -0.071 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001548707942 923467026 /nfs/dbraw/zinc/46/70/26/923467026.db2.gz FXRDHICNIMGBBZ-YCPHGPKFSA-N 2 1 292.427 -0.071 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001548707942 923467040 /nfs/dbraw/zinc/46/70/40/923467040.db2.gz FXRDHICNIMGBBZ-YCPHGPKFSA-N 2 1 292.427 -0.071 20 0 CBADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC001548711154 923469478 /nfs/dbraw/zinc/46/94/78/923469478.db2.gz SZNIFCNOOCJBAR-RQJABVFESA-N 2 1 280.416 -0.074 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C[C@H](C)[NH+]1C ZINC001548711154 923469483 /nfs/dbraw/zinc/46/94/83/923469483.db2.gz SZNIFCNOOCJBAR-RQJABVFESA-N 2 1 280.416 -0.074 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C[C@H](C)[NH+]1C ZINC001548711154 923469492 /nfs/dbraw/zinc/46/94/92/923469492.db2.gz SZNIFCNOOCJBAR-RQJABVFESA-N 2 1 280.416 -0.074 20 0 CBADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548711714 923472565 /nfs/dbraw/zinc/47/25/65/923472565.db2.gz VFCGPVPZHXYTBV-YIYPIFLZSA-N 2 1 280.416 -0.074 20 0 CBADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC001548728067 923479735 /nfs/dbraw/zinc/47/97/35/923479735.db2.gz RTQIAHJEVYOFLZ-IVMMDQJWSA-N 2 1 292.427 -0.025 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2[NH+]2CC[C@H](O)C2)C1 ZINC001548998096 923523273 /nfs/dbraw/zinc/52/32/73/923523273.db2.gz SRKQIBDPMFJBIO-DGAVXFQQSA-N 2 1 297.399 -0.579 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2[NH+]2CC[C@H](O)C2)C1 ZINC001548998096 923523288 /nfs/dbraw/zinc/52/32/88/923523288.db2.gz SRKQIBDPMFJBIO-DGAVXFQQSA-N 2 1 297.399 -0.579 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)C1 ZINC001548998096 923523309 /nfs/dbraw/zinc/52/33/09/923523309.db2.gz SRKQIBDPMFJBIO-DGAVXFQQSA-N 2 1 297.399 -0.579 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)C1 ZINC001548998096 923523330 /nfs/dbraw/zinc/52/33/30/923523330.db2.gz SRKQIBDPMFJBIO-DGAVXFQQSA-N 2 1 297.399 -0.579 20 0 CBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC001549044666 923536707 /nfs/dbraw/zinc/53/67/07/923536707.db2.gz HNOSCJQJSNETAJ-SLEUVZQESA-N 2 1 289.383 -0.107 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001549045432 923539842 /nfs/dbraw/zinc/53/98/42/923539842.db2.gz YMRUXMFXFZCXLS-KXNHARMFSA-N 2 1 275.356 -0.642 20 0 CBADMP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)C1 ZINC001549049189 923547378 /nfs/dbraw/zinc/54/73/78/923547378.db2.gz INJFACOWNVHMGW-MGPQQGTHSA-N 2 1 297.399 -0.280 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549128248 923561069 /nfs/dbraw/zinc/56/10/69/923561069.db2.gz KPWKPAHWQWVSSL-ZJQBRPOHSA-N 2 1 267.373 -0.049 20 0 CBADMP C[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001549171959 923566841 /nfs/dbraw/zinc/56/68/41/923566841.db2.gz ITURJCAWJOVXLG-NXEZZACHSA-N 2 1 251.334 -0.499 20 0 CBADMP C[C@H]1C[N@@H+](CCC[NH3+])C[C@H]1C(=O)N1CCOCC1 ZINC001549175669 923567110 /nfs/dbraw/zinc/56/71/10/923567110.db2.gz NHTCFMAKKINDOP-NWDGAFQWSA-N 2 1 255.362 -0.238 20 0 CBADMP C[C@@H]1C[N@@H+](CCC[NH3+])C[C@@H]1C(=O)N1CCOCC1 ZINC001549175667 923567401 /nfs/dbraw/zinc/56/74/01/923567401.db2.gz NHTCFMAKKINDOP-NEPJUHHUSA-N 2 1 255.362 -0.238 20 0 CBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001549295121 923585422 /nfs/dbraw/zinc/58/54/22/923585422.db2.gz FCAQHQUVJULAHZ-QNWHQSFQSA-N 2 1 267.373 -0.158 20 0 CBADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC001549302697 923589304 /nfs/dbraw/zinc/58/93/04/923589304.db2.gz UNQMHVVKKMFBRC-MELADBBJSA-N 2 1 281.400 -0.053 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549740302 923638675 /nfs/dbraw/zinc/63/86/75/923638675.db2.gz NZCXPOCLDYCKSR-WGBDABJCSA-N 2 1 293.371 -0.950 20 0 CBADMP C[C@@H]([NH3+])CCC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001550117072 923690385 /nfs/dbraw/zinc/69/03/85/923690385.db2.gz UMEVUMYVLDSXHJ-CHWSQXEVSA-N 2 1 268.405 -0.038 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]([NH3+])C3CC3)C2)CC1 ZINC001550117060 923691674 /nfs/dbraw/zinc/69/16/74/923691674.db2.gz UHHNSHNTDQWLPF-ZIAGYGMSSA-N 2 1 280.416 -0.038 20 0 CBADMP CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC[NH2+]C3)C2)CC1 ZINC001550117188 923691897 /nfs/dbraw/zinc/69/18/97/923691897.db2.gz XAWNAZJBYNLHKN-KBPBESRZSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001550116728 923692443 /nfs/dbraw/zinc/69/24/43/923692443.db2.gz RDFKILCSQNJPMO-RWMBFGLXSA-N 2 1 268.405 -0.182 20 0 CBADMP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC001550124810 923693832 /nfs/dbraw/zinc/69/38/32/923693832.db2.gz WZJSZQHCFZRDEZ-VNHYZAJKSA-N 2 1 294.399 -0.369 20 0 CBADMP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC001550124810 923693839 /nfs/dbraw/zinc/69/38/39/923693839.db2.gz WZJSZQHCFZRDEZ-VNHYZAJKSA-N 2 1 294.399 -0.369 20 0 CBADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cn(CCC[NH3+])nn1 ZINC001550122418 923694565 /nfs/dbraw/zinc/69/45/65/923694565.db2.gz GHHINTHBZNZVKA-STQMWFEESA-N 2 1 292.387 -0.064 20 0 CBADMP CC1(C)C[NH2+]CC[C@H](NC(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)C1 ZINC001550274479 923713350 /nfs/dbraw/zinc/71/33/50/923713350.db2.gz GMQIDCRXEYXCJW-GARJFASQSA-N 2 1 269.393 -0.556 20 0 CBADMP N[C@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C[C@H]1[NH3+] ZINC001550290153 923715686 /nfs/dbraw/zinc/71/56/86/923715686.db2.gz VIKZGIQZIRJARF-MELADBBJSA-N 2 1 289.383 -0.619 20 0 CBADMP C[C@]12C[NH2+]C[C@@H]1C[N@@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC001550437615 923731040 /nfs/dbraw/zinc/73/10/40/923731040.db2.gz VUMWRPGAQGJYQI-FRRDWIJNSA-N 3 1 251.374 -0.094 20 0 CBADMP C[C@]12C[NH2+]C[C@@H]1CN(C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC001550437615 923731045 /nfs/dbraw/zinc/73/10/45/923731045.db2.gz VUMWRPGAQGJYQI-FRRDWIJNSA-N 2 1 251.374 -0.094 20 0 CBADMP COCCN1C(=O)N[C@H]2C[N@H+](CC3CC([NH3+])C3)CC[C@@H]21 ZINC001550704904 923738405 /nfs/dbraw/zinc/73/84/05/923738405.db2.gz PGWDGRUCOIYRMV-TYUFSLCMSA-N 2 1 282.388 -0.162 20 0 CBADMP [NH3+][C@]12CC[C@H]1CN(C(=O)NCc1cnn3c1C[NH2+]CC3)C2 ZINC001550758069 923747855 /nfs/dbraw/zinc/74/78/55/923747855.db2.gz SLNWESNXTSHMRI-FZMZJTMJSA-N 2 1 290.371 -0.381 20 0 CBADMP O=C1CC[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)[C@H](C2CC[NH2+]CC2)N1 ZINC001550914522 923753416 /nfs/dbraw/zinc/75/34/16/923753416.db2.gz VLDADWNKLPDPQL-ABHRYQDASA-N 2 1 298.406 -0.077 20 0 CBADMP CNC(=O)[C@@]12C[N@H+]([C@@H]3CC[NH2+]C3)C[C@H]1COCC2 ZINC001551413619 923780294 /nfs/dbraw/zinc/78/02/94/923780294.db2.gz XLMBYBDCBVQKKN-LOWVWBTDSA-N 2 1 253.346 -0.567 20 0 CBADMP CNC(=O)[C@@]12C[N@@H+](C[C@@H]3CCC[NH2+]3)C[C@@H]1COCC2 ZINC001551411834 923781556 /nfs/dbraw/zinc/78/15/56/923781556.db2.gz ULRFOLKELPYXKE-DYEKYZERSA-N 2 1 267.373 -0.177 20 0 CBADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001551463409 923796483 /nfs/dbraw/zinc/79/64/83/923796483.db2.gz HMSOKFUWKCEBQX-OUAUKWLOSA-N 2 1 277.328 -0.556 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552169052 923845906 /nfs/dbraw/zinc/84/59/06/923845906.db2.gz QULCSVZPSVQRJQ-NSHDSACASA-N 2 1 289.343 -0.253 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552199767 923855539 /nfs/dbraw/zinc/85/55/39/923855539.db2.gz DASQMPGYHLQMAI-UQFNBPPOSA-N 2 1 279.384 -0.179 20 0 CBADMP O=C(N1CC[N@H+]2CCC[C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552200260 923856950 /nfs/dbraw/zinc/85/69/50/923856950.db2.gz FBDISUIALRKLOO-YRGRVCCFSA-N 2 1 265.357 -0.471 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201622 923858474 /nfs/dbraw/zinc/85/84/74/923858474.db2.gz VDTSQRMTYGKHCU-QVHKTLOISA-N 2 1 279.384 -0.083 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201732 923859672 /nfs/dbraw/zinc/85/96/72/923859672.db2.gz VDHBHXYCATYHIM-GZBFAFLISA-N 2 1 297.399 -0.551 20 0 CBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201621 923860816 /nfs/dbraw/zinc/86/08/16/923860816.db2.gz VDTSQRMTYGKHCU-BHPKHCPMSA-N 2 1 279.384 -0.083 20 0 CBADMP C[N@H+]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552202468 923862569 /nfs/dbraw/zinc/86/25/69/923862569.db2.gz GTSCFZOWOTVSBZ-WCQYABFASA-N 2 1 253.346 -0.614 20 0 CBADMP CN(C(=O)[C@@]12C[NH2+]C[C@H]1COC2)[C@H]1CC[N@@H+](C)C1 ZINC001552215363 923868463 /nfs/dbraw/zinc/86/84/63/923868463.db2.gz FZDJDOBDQHITEV-GMXVVIOVSA-N 2 1 253.346 -0.615 20 0 CBADMP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CC[N@@H+](C)C1 ZINC001552216687 923871505 /nfs/dbraw/zinc/87/15/05/923871505.db2.gz WMNKEEGSLXPIHM-WDEREUQCSA-N 2 1 278.360 -0.411 20 0 CBADMP CN(C(=O)c1cnnn1C1CC[NH2+]CC1)[C@@H]1CC[N@@H+](C)C1 ZINC001552440758 923909922 /nfs/dbraw/zinc/90/99/22/923909922.db2.gz SHWATRRFAVEORT-GFCCVEGCSA-N 2 1 292.387 -0.021 20 0 CBADMP CN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)C2)CC1 ZINC001552954905 923926802 /nfs/dbraw/zinc/92/68/02/923926802.db2.gz NESXYRNPLZVIPM-UONOGXRCSA-N 2 1 295.431 -0.230 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001552959415 923927594 /nfs/dbraw/zinc/92/75/94/923927594.db2.gz WOFRIWGMBKDMJH-MELADBBJSA-N 2 1 295.431 -0.232 20 0 CBADMP CN1CC[NH+]([C@H]2CCN(C(=O)N[C@H](C[NH3+])C3CC3)C2)CC1 ZINC001552955241 923927877 /nfs/dbraw/zinc/92/78/77/923927877.db2.gz RRQXLEYVDSNVRV-UONOGXRCSA-N 2 1 295.431 -0.245 20 0 CBADMP N[C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1[NH3+] ZINC001552973669 923929898 /nfs/dbraw/zinc/92/98/98/923929898.db2.gz UCJBDRCNRNENDQ-PHIMTYICSA-N 2 1 252.387 -0.136 20 0 CBADMP [NH3+]Cc1noc(-c2ccnc(N3CC[NH2+]CC3)c2)n1 ZINC001552975561 923931174 /nfs/dbraw/zinc/93/11/74/923931174.db2.gz PNWLVMUDTZMQMA-UHFFFAOYSA-N 2 1 260.301 0.000 20 0 CBADMP CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C[C@@H]21 ZINC001553013785 923936419 /nfs/dbraw/zinc/93/64/19/923936419.db2.gz DRQUOJOXOIGRFV-MELADBBJSA-N 2 1 295.383 -0.704 20 0 CBADMP C1C[C@@H]([NH2+][C@H]2CNCCOC2)[C@H](C2CC[NH2+]CC2)O1 ZINC001553025228 923936835 /nfs/dbraw/zinc/93/68/35/923936835.db2.gz XIHHPTQBJWRNFJ-MJBXVCDLSA-N 2 1 269.389 -0.279 20 0 CBADMP C1C[C@@H]([NH2+][C@@H]2CNCCOC2)[C@H](C2CC[NH2+]CC2)O1 ZINC001553025223 923937089 /nfs/dbraw/zinc/93/70/89/923937089.db2.gz XIHHPTQBJWRNFJ-MCIONIFRSA-N 2 1 269.389 -0.279 20 0 CBADMP NC(=O)C12CC(C1)C[N@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001553304123 923946937 /nfs/dbraw/zinc/94/69/37/923946937.db2.gz ARUPDIDZYBKZFP-BGZAYEDQSA-N 2 1 265.357 -0.295 20 0 CBADMP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC(C(N)=O)C1 ZINC001553304205 923947938 /nfs/dbraw/zinc/94/79/38/923947938.db2.gz BNEGRQIUZZEHMC-BUCSNLDVSA-N 2 1 267.373 -0.049 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC[C@H]([NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553342451 923950480 /nfs/dbraw/zinc/95/04/80/923950480.db2.gz GHYRWXPECOZIAK-OBJOEFQTSA-N 3 1 266.389 -0.523 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CCC[C@H]([NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553342451 923950484 /nfs/dbraw/zinc/95/04/84/923950484.db2.gz GHYRWXPECOZIAK-OBJOEFQTSA-N 3 1 266.389 -0.523 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC[C@H]3CCCC[NH2+]3)C[NH2+]C[C@H]2C1 ZINC001553352002 923953137 /nfs/dbraw/zinc/95/31/37/923953137.db2.gz LWTCJUQQKIMZEY-GUTXKFCHSA-N 3 1 280.416 -0.214 20 0 CBADMP CN1CC[C@]2(C(=O)NC[C@H]3CCCC[NH2+]3)C[NH2+]C[C@H]2C1 ZINC001553352002 923953145 /nfs/dbraw/zinc/95/31/45/923953145.db2.gz LWTCJUQQKIMZEY-GUTXKFCHSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NCC3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553350765 923953286 /nfs/dbraw/zinc/95/32/86/923953286.db2.gz VKTFOWBHCHHUKA-ZFWWWQNUSA-N 3 1 280.416 -0.357 20 0 CBADMP CN1CC[C@]2(C(=O)NCC3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553350765 923953296 /nfs/dbraw/zinc/95/32/96/923953296.db2.gz VKTFOWBHCHHUKA-ZFWWWQNUSA-N 2 1 280.416 -0.357 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)C1 ZINC001553348116 923953917 /nfs/dbraw/zinc/95/39/17/923953917.db2.gz IQXLXTGGVSXHQY-BZPMIXESSA-N 3 1 266.389 -0.652 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)C1 ZINC001553348116 923953924 /nfs/dbraw/zinc/95/39/24/923953924.db2.gz IQXLXTGGVSXHQY-BZPMIXESSA-N 3 1 266.389 -0.652 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC[C@H](C[NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553349869 923954177 /nfs/dbraw/zinc/95/41/77/923954177.db2.gz FBPZCTCZWDARJQ-IPYPFGDCSA-N 3 1 280.416 -0.275 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CCC[C@H](C[NH3+])C3)C[NH2+]C[C@H]2C1 ZINC001553349869 923954189 /nfs/dbraw/zinc/95/41/89/923954189.db2.gz FBPZCTCZWDARJQ-IPYPFGDCSA-N 3 1 280.416 -0.275 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC[C@@H](C[NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553349868 923954588 /nfs/dbraw/zinc/95/45/88/923954588.db2.gz FBPZCTCZWDARJQ-GUTXKFCHSA-N 3 1 280.416 -0.275 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CCC[C@@H](C[NH3+])C3)C[NH2+]C[C@@H]2C1 ZINC001553349868 923954604 /nfs/dbraw/zinc/95/46/04/923954604.db2.gz FBPZCTCZWDARJQ-GUTXKFCHSA-N 3 1 280.416 -0.275 20 0 CBADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553350044 923954755 /nfs/dbraw/zinc/95/47/55/923954755.db2.gz RNEQJJSWGYNUSA-GXTWGEPZSA-N 3 1 266.389 -0.650 20 0 CBADMP C[N@H+]1CC[C@@]2(C(=O)N3CCC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553350044 923954764 /nfs/dbraw/zinc/95/47/64/923954764.db2.gz RNEQJJSWGYNUSA-GXTWGEPZSA-N 3 1 266.389 -0.650 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[NH2+]C[C@@H]2C1 ZINC001553354388 923955660 /nfs/dbraw/zinc/95/56/60/923955660.db2.gz PSQICVDTOMMYKP-IVKUSVFPSA-N 3 1 292.427 -0.073 20 0 CBADMP CN1CC[C@]2(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[NH2+]C[C@@H]2C1 ZINC001553354388 923955668 /nfs/dbraw/zinc/95/56/68/923955668.db2.gz PSQICVDTOMMYKP-IVKUSVFPSA-N 2 1 292.427 -0.073 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N[C@@H]3CC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553355165 923958522 /nfs/dbraw/zinc/95/85/22/923958522.db2.gz UHPYSPGMKIGAQP-WZRBSPASSA-N 3 1 252.362 -0.994 20 0 CBADMP CN1CC[C@]2(C(=O)N[C@@H]3CC[NH2+]C3)C[NH2+]C[C@@H]2C1 ZINC001553355165 923958537 /nfs/dbraw/zinc/95/85/37/923958537.db2.gz UHPYSPGMKIGAQP-WZRBSPASSA-N 2 1 252.362 -0.994 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)NC[C@H]3CCCO3)C[NH2+]C[C@H]2C1 ZINC001553362678 923963687 /nfs/dbraw/zinc/96/36/87/923963687.db2.gz RPTRCSYESQNCIA-SCRDCRAPSA-N 2 1 267.373 -0.177 20 0 CBADMP C[N@@H+]1CC[C@]2(C(=O)N3CCOCC3)C[NH2+]C[C@H]2C1 ZINC001553364213 923964552 /nfs/dbraw/zinc/96/45/52/923964552.db2.gz XKRSYRSFRROFHP-AAEUAGOBSA-N 2 1 253.346 -0.614 20 0 CBADMP C[N@H+]1CC[C@]2(C(=O)N3CCOCC3)C[NH2+]C[C@H]2C1 ZINC001553364213 923964564 /nfs/dbraw/zinc/96/45/64/923964564.db2.gz XKRSYRSFRROFHP-AAEUAGOBSA-N 2 1 253.346 -0.614 20 0 CBADMP COCCN(C)C(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553384509 923968400 /nfs/dbraw/zinc/96/84/00/923968400.db2.gz LVWPWKSEXCUKNN-WCQYABFASA-N 2 1 255.362 -0.368 20 0 CBADMP COCCN(C)C(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553384509 923968413 /nfs/dbraw/zinc/96/84/13/923968413.db2.gz LVWPWKSEXCUKNN-WCQYABFASA-N 2 1 255.362 -0.368 20 0 CBADMP CCN(CC(=O)NC)C(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553394624 923968940 /nfs/dbraw/zinc/96/89/40/923968940.db2.gz CMNGTQQGMPHUSY-SMDDNHRTSA-N 2 1 282.388 -0.878 20 0 CBADMP CCN(CC(=O)NC)C(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553394624 923968945 /nfs/dbraw/zinc/96/89/45/923968945.db2.gz CMNGTQQGMPHUSY-SMDDNHRTSA-N 2 1 282.388 -0.878 20 0 CBADMP Cn1nccc1NC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553381936 923969086 /nfs/dbraw/zinc/96/90/86/923969086.db2.gz CAGYDFQYBBSSCV-MFKMUULPSA-N 2 1 263.345 -0.100 20 0 CBADMP CN(C)C(=O)CN(C)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553375826 923969868 /nfs/dbraw/zinc/96/98/68/923969868.db2.gz YMWXDCJAWLYGCQ-FZMZJTMJSA-N 2 1 282.388 -0.926 20 0 CBADMP CN(C)C(=O)CN(C)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553375826 923969878 /nfs/dbraw/zinc/96/98/78/923969878.db2.gz YMWXDCJAWLYGCQ-FZMZJTMJSA-N 2 1 282.388 -0.926 20 0 CBADMP CCNC(=O)CN(CC)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553401768 923971459 /nfs/dbraw/zinc/97/14/59/923971459.db2.gz ZGTBYKVNYFUPAT-DOMZBBRYSA-N 2 1 296.415 -0.488 20 0 CBADMP CCNC(=O)CN(CC)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553401768 923971469 /nfs/dbraw/zinc/97/14/69/923971469.db2.gz ZGTBYKVNYFUPAT-DOMZBBRYSA-N 2 1 296.415 -0.488 20 0 CBADMP CCN(CC(=O)N(C)C)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553396836 923972966 /nfs/dbraw/zinc/97/29/66/923972966.db2.gz LMJQQSUNKKQKQZ-DOMZBBRYSA-N 2 1 296.415 -0.536 20 0 CBADMP CCN(CC(=O)N(C)C)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553396836 923972976 /nfs/dbraw/zinc/97/29/76/923972976.db2.gz LMJQQSUNKKQKQZ-DOMZBBRYSA-N 2 1 296.415 -0.536 20 0 CBADMP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC001553404599 923978724 /nfs/dbraw/zinc/97/87/24/923978724.db2.gz AWUSKIYRIQOWQR-CYDGBPFRSA-N 2 1 265.357 -0.188 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553407932 923980201 /nfs/dbraw/zinc/98/02/01/923980201.db2.gz IFOBDGXBTIJTSN-WHOHXGKFSA-N 2 1 253.346 -0.284 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)n1C ZINC001553407802 923980642 /nfs/dbraw/zinc/98/06/42/923980642.db2.gz HLAIVUGARPUCFY-GRYCIOLGSA-N 2 1 293.371 -0.378 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553409371 923984569 /nfs/dbraw/zinc/98/45/69/923984569.db2.gz JXKRXHUKBDYSDK-QNWHQSFQSA-N 2 1 283.372 -0.657 20 0 CBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553412511 923986973 /nfs/dbraw/zinc/98/69/73/923986973.db2.gz USBZTRRHLMRGME-VOAKCMCISA-N 2 1 267.373 -0.036 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553413070 923988463 /nfs/dbraw/zinc/98/84/63/923988463.db2.gz PTNPAJSSSWWSAB-SDDRHHMPSA-N 2 1 264.329 -0.173 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553414631 923991388 /nfs/dbraw/zinc/99/13/88/923991388.db2.gz RHEYGSXVOIJATK-PEBLQZBPSA-N 2 1 295.383 -0.515 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001553450172 924003070 /nfs/dbraw/zinc/00/30/70/924003070.db2.gz OTPFXAJXFCRGJF-HIFRSBDPSA-N 2 1 295.431 -0.230 20 0 CBADMP O=C(N[C@@H]1CCC[NH2+]C1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553499091 924013262 /nfs/dbraw/zinc/01/32/62/924013262.db2.gz YENKTIIHVSXNNC-RDBSUJKOSA-N 2 1 296.415 -0.021 20 0 CBADMP [NH3+][C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)C1CC1 ZINC001553497440 924013784 /nfs/dbraw/zinc/01/37/84/924013784.db2.gz PUUQNUWJTDJNMK-MCIONIFRSA-N 2 1 296.415 -0.036 20 0 CBADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553500771 924014478 /nfs/dbraw/zinc/01/44/78/924014478.db2.gz GZSACTSGUOPQSM-CYDGBPFRSA-N 2 1 284.404 -0.037 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553506979 924016760 /nfs/dbraw/zinc/01/67/60/924016760.db2.gz OVUIJVLYETUSMF-JHJVBQTASA-N 2 1 282.388 -0.411 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001553510560 924019131 /nfs/dbraw/zinc/01/91/31/924019131.db2.gz QNVRVKACHWPFPS-AVGNSLFASA-N 2 1 284.404 -0.165 20 0 CBADMP [NH3+]C1CC(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001553513007 924019886 /nfs/dbraw/zinc/01/98/86/924019886.db2.gz KTQXBTRUCFIQBM-NWINJMCUSA-N 2 1 296.415 -0.036 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001553516122 924021236 /nfs/dbraw/zinc/02/12/36/924021236.db2.gz ZAGJWHMBOCDDBW-YNEHKIRRSA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001553517618 924023807 /nfs/dbraw/zinc/02/38/07/924023807.db2.gz MMNXDVNNEQHWGZ-XDQVBPFNSA-N 2 1 296.415 -0.023 20 0 CBADMP C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)[C@@H](O)C1 ZINC001553647088 924030968 /nfs/dbraw/zinc/03/09/68/924030968.db2.gz GIVRUJYVKBMSNY-RNJOBUHISA-N 2 1 267.373 -0.206 20 0 CBADMP C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)[C@@H](O)C1 ZINC001553647088 924030983 /nfs/dbraw/zinc/03/09/83/924030983.db2.gz GIVRUJYVKBMSNY-RNJOBUHISA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)[C@@H](O)C1 ZINC001553647088 924030994 /nfs/dbraw/zinc/03/09/94/924030994.db2.gz GIVRUJYVKBMSNY-RNJOBUHISA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)[C@@H](O)C1 ZINC001553647088 924031005 /nfs/dbraw/zinc/03/10/05/924031005.db2.gz GIVRUJYVKBMSNY-RNJOBUHISA-N 2 1 267.373 -0.206 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000337567402 214159685 /nfs/dbraw/zinc/15/96/85/214159685.db2.gz PLRKLIACWHGIDC-AAEUAGOBSA-N 2 1 273.377 -0.864 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000337567402 214159689 /nfs/dbraw/zinc/15/96/89/214159689.db2.gz PLRKLIACWHGIDC-AAEUAGOBSA-N 2 1 273.377 -0.864 20 0 CBADMP C[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000337707417 214228603 /nfs/dbraw/zinc/22/86/03/214228603.db2.gz CDSBDBQNADWQGA-ZDUSSCGKSA-N 2 1 298.431 -0.541 20 0 CBADMP C[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000337707417 214228606 /nfs/dbraw/zinc/22/86/06/214228606.db2.gz CDSBDBQNADWQGA-ZDUSSCGKSA-N 2 1 298.431 -0.541 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000337707417 214228609 /nfs/dbraw/zinc/22/86/09/214228609.db2.gz CDSBDBQNADWQGA-ZDUSSCGKSA-N 2 1 298.431 -0.541 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000337707417 214228612 /nfs/dbraw/zinc/22/86/12/214228612.db2.gz CDSBDBQNADWQGA-ZDUSSCGKSA-N 2 1 298.431 -0.541 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000376747521 230261159 /nfs/dbraw/zinc/26/11/59/230261159.db2.gz HRRBGLABEJYTFU-CYBMUJFWSA-N 2 1 287.404 -0.210 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000376747521 230261165 /nfs/dbraw/zinc/26/11/65/230261165.db2.gz HRRBGLABEJYTFU-CYBMUJFWSA-N 2 1 287.404 -0.210 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000376747521 230261169 /nfs/dbraw/zinc/26/11/69/230261169.db2.gz HRRBGLABEJYTFU-CYBMUJFWSA-N 2 1 287.404 -0.210 20 0 CBADMP C[N@H+]1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000125301010 187178327 /nfs/dbraw/zinc/17/83/27/187178327.db2.gz YYSYNANOIXUOCM-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000337413045 282142002 /nfs/dbraw/zinc/14/20/02/282142002.db2.gz ODIBBGVFLHVPFS-WCQYABFASA-N 2 1 272.393 -0.308 20 0 CBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000337826558 214275692 /nfs/dbraw/zinc/27/56/92/214275692.db2.gz QUBZSDVAPVQMRJ-GXTWGEPZSA-N 2 1 299.415 -0.033 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000337834398 214279425 /nfs/dbraw/zinc/27/94/25/214279425.db2.gz CMFKEVADWXVMSL-QWRGUYRKSA-N 2 1 268.361 -0.806 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000350746528 219055546 /nfs/dbraw/zinc/05/55/46/219055546.db2.gz HABZNEYTHKFUML-LLVKDONJSA-N 2 1 299.419 -0.554 20 0 CBADMP C[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000361718160 290639262 /nfs/dbraw/zinc/63/92/62/290639262.db2.gz LWXVDGMDJZTSAC-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000338082805 214392119 /nfs/dbraw/zinc/39/21/19/214392119.db2.gz BPURIYHJLAOXHB-CHWSQXEVSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000338082805 214392122 /nfs/dbraw/zinc/39/21/22/214392122.db2.gz BPURIYHJLAOXHB-CHWSQXEVSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000338082806 214391449 /nfs/dbraw/zinc/39/14/49/214391449.db2.gz BPURIYHJLAOXHB-OLZOCXBDSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000338082806 214391452 /nfs/dbraw/zinc/39/14/52/214391452.db2.gz BPURIYHJLAOXHB-OLZOCXBDSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000338105415 214399650 /nfs/dbraw/zinc/39/96/50/214399650.db2.gz PRBUBDDKVOLNOS-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000338105415 214399654 /nfs/dbraw/zinc/39/96/54/214399654.db2.gz PRBUBDDKVOLNOS-CHWSQXEVSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000338105417 214399683 /nfs/dbraw/zinc/39/96/83/214399683.db2.gz PRBUBDDKVOLNOS-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000338105417 214399687 /nfs/dbraw/zinc/39/96/87/214399687.db2.gz PRBUBDDKVOLNOS-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[NH+](C)[C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)CC1 ZINC000408380967 282187583 /nfs/dbraw/zinc/18/75/83/282187583.db2.gz FPZQXHNZJPJHDG-LLVKDONJSA-N 2 1 268.361 -0.046 20 0 CBADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)CC1 ZINC000408380967 282187587 /nfs/dbraw/zinc/18/75/87/282187587.db2.gz FPZQXHNZJPJHDG-LLVKDONJSA-N 2 1 268.361 -0.046 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000351515876 219110863 /nfs/dbraw/zinc/11/08/63/219110863.db2.gz DCZACLWHIQSAAY-PWSUYJOCSA-N 2 1 280.372 -0.793 20 0 CBADMP CNC(=O)[C@@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351520670 219112216 /nfs/dbraw/zinc/11/22/16/219112216.db2.gz RXFOHTGQSWQFQT-JQWIXIFHSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351520670 219112218 /nfs/dbraw/zinc/11/22/18/219112218.db2.gz RXFOHTGQSWQFQT-JQWIXIFHSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351520670 219112219 /nfs/dbraw/zinc/11/22/19/219112219.db2.gz RXFOHTGQSWQFQT-JQWIXIFHSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@@H](C)C[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351520670 219112221 /nfs/dbraw/zinc/11/22/21/219112221.db2.gz RXFOHTGQSWQFQT-JQWIXIFHSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351520669 219112358 /nfs/dbraw/zinc/11/23/58/219112358.db2.gz RXFOHTGQSWQFQT-CMPLNLGQSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351520669 219112359 /nfs/dbraw/zinc/11/23/59/219112359.db2.gz RXFOHTGQSWQFQT-CMPLNLGQSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351520669 219112361 /nfs/dbraw/zinc/11/23/61/219112361.db2.gz RXFOHTGQSWQFQT-CMPLNLGQSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351520669 219112362 /nfs/dbraw/zinc/11/23/62/219112362.db2.gz RXFOHTGQSWQFQT-CMPLNLGQSA-N 2 1 257.378 -0.245 20 0 CBADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000351530229 219116216 /nfs/dbraw/zinc/11/62/16/219116216.db2.gz ADDWCXGSCBHURI-AVGNSLFASA-N 2 1 294.399 -0.402 20 0 CBADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351541817 219121436 /nfs/dbraw/zinc/12/14/36/219121436.db2.gz QFHAXJCVLXTCLV-LLVKDONJSA-N 2 1 268.361 -0.981 20 0 CBADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000573564872 334947485 /nfs/dbraw/zinc/94/74/85/334947485.db2.gz WKGMDWBDMCOVHC-IRCOFANPSA-N 2 1 255.362 -0.132 20 0 CBADMP C[NH2+]CC(=O)N1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000376586100 529956227 /nfs/dbraw/zinc/95/62/27/529956227.db2.gz JNZOUKLMFXKEQT-QWHCGFSZSA-N 2 1 284.404 -0.931 20 0 CBADMP C[NH2+]CC(=O)N1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000376586100 529956229 /nfs/dbraw/zinc/95/62/29/529956229.db2.gz JNZOUKLMFXKEQT-QWHCGFSZSA-N 2 1 284.404 -0.931 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C[C@@H](O)C[NH+](C)C2CC2)[C@H](C)C1 ZINC000351584826 219135925 /nfs/dbraw/zinc/13/59/25/219135925.db2.gz XEWRCDDSMWMKQE-IPYPFGDCSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)[C@H](C)C1 ZINC000351584826 219135927 /nfs/dbraw/zinc/13/59/27/219135927.db2.gz XEWRCDDSMWMKQE-IPYPFGDCSA-N 2 1 285.432 -0.172 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)[C@H](C)C1 ZINC000351584826 219135928 /nfs/dbraw/zinc/13/59/28/219135928.db2.gz XEWRCDDSMWMKQE-IPYPFGDCSA-N 2 1 285.432 -0.172 20 0 CBADMP C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCN2CCC3)CC1 ZINC000378451995 530047513 /nfs/dbraw/zinc/04/75/13/530047513.db2.gz SQPUCMBPMWUREG-CQSZACIVSA-N 2 1 278.400 -0.246 20 0 CBADMP C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000378451995 530047514 /nfs/dbraw/zinc/04/75/14/530047514.db2.gz SQPUCMBPMWUREG-CQSZACIVSA-N 2 1 278.400 -0.246 20 0 CBADMP C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000378451995 530047515 /nfs/dbraw/zinc/04/75/15/530047515.db2.gz SQPUCMBPMWUREG-CQSZACIVSA-N 2 1 278.400 -0.246 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)C1CCOCC1)C1CC1 ZINC000351607725 219144923 /nfs/dbraw/zinc/14/49/23/219144923.db2.gz XLMVXZUPJQNYTN-KGLIPLIRSA-N 2 1 272.389 -0.181 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)C1CCOCC1)C1CC1 ZINC000351607725 219144925 /nfs/dbraw/zinc/14/49/25/219144925.db2.gz XLMVXZUPJQNYTN-KGLIPLIRSA-N 2 1 272.389 -0.181 20 0 CBADMP C[C@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CC[NH+]1CCO ZINC000351611698 219145986 /nfs/dbraw/zinc/14/59/86/219145986.db2.gz RWZRFTTVWOWOTD-GXTWGEPZSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CC[N@@H+]1CCO ZINC000351611698 219145989 /nfs/dbraw/zinc/14/59/89/219145989.db2.gz RWZRFTTVWOWOTD-GXTWGEPZSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CC[N@H+]1CCO ZINC000351611698 219145992 /nfs/dbraw/zinc/14/59/92/219145992.db2.gz RWZRFTTVWOWOTD-GXTWGEPZSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CC[NH+]1CCO ZINC000351611701 219146259 /nfs/dbraw/zinc/14/62/59/219146259.db2.gz RWZRFTTVWOWOTD-OCCSQVGLSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CC[N@@H+]1CCO ZINC000351611701 219146260 /nfs/dbraw/zinc/14/62/60/219146260.db2.gz RWZRFTTVWOWOTD-OCCSQVGLSA-N 2 1 271.405 -0.560 20 0 CBADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CC[N@H+]1CCO ZINC000351611701 219146263 /nfs/dbraw/zinc/14/62/63/219146263.db2.gz RWZRFTTVWOWOTD-OCCSQVGLSA-N 2 1 271.405 -0.560 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000085358203 179031465 /nfs/dbraw/zinc/03/14/65/179031465.db2.gz YVWKIYMEKAYTOF-NWDGAFQWSA-N 2 1 255.362 -0.048 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000351853187 219227357 /nfs/dbraw/zinc/22/73/57/219227357.db2.gz OERWMTWVSIMAIB-VXGBXAGGSA-N 2 1 255.362 -0.096 20 0 CBADMP COCC[N@H+](C)CCNC(=O)N1CC[NH+](C)CC1 ZINC000339363522 215124059 /nfs/dbraw/zinc/12/40/59/215124059.db2.gz ZPAMMFQQANVQNI-UHFFFAOYSA-N 2 1 258.366 -0.478 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](C)CC1 ZINC000339363522 215124062 /nfs/dbraw/zinc/12/40/62/215124062.db2.gz ZPAMMFQQANVQNI-UHFFFAOYSA-N 2 1 258.366 -0.478 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)[C@@H](C)C[N@H+]1C ZINC000352023964 219293320 /nfs/dbraw/zinc/29/33/20/219293320.db2.gz BVTIZAPZEFGLHS-RDBSUJKOSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)[C@@H](C)C[NH+]1C ZINC000352023964 219293321 /nfs/dbraw/zinc/29/33/21/219293321.db2.gz BVTIZAPZEFGLHS-RDBSUJKOSA-N 2 1 280.416 -0.073 20 0 CBADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)[C@@H](C)C[NH+]1C ZINC000352023964 219293322 /nfs/dbraw/zinc/29/33/22/219293322.db2.gz BVTIZAPZEFGLHS-RDBSUJKOSA-N 2 1 280.416 -0.073 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000091300373 180127733 /nfs/dbraw/zinc/12/77/33/180127733.db2.gz VISVJCYAWHDIRU-NWDGAFQWSA-N 2 1 255.362 -0.177 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668158 180223843 /nfs/dbraw/zinc/22/38/43/180223843.db2.gz BNXRJKWPXBCNNV-UTUOFQBUSA-N 2 1 255.362 -0.051 20 0 CBADMP O=C(C[NH2+]CC1CC1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668196 180223861 /nfs/dbraw/zinc/22/38/61/180223861.db2.gz MDRUUKSDCNKWIS-OLZOCXBDSA-N 2 1 267.373 -0.035 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000352152975 219340248 /nfs/dbraw/zinc/34/02/48/219340248.db2.gz KHJCJAZETPRRFM-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000352152975 219340251 /nfs/dbraw/zinc/34/02/51/219340251.db2.gz KHJCJAZETPRRFM-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000352152975 219340253 /nfs/dbraw/zinc/34/02/53/219340253.db2.gz KHJCJAZETPRRFM-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000352152975 219340255 /nfs/dbraw/zinc/34/02/55/219340255.db2.gz KHJCJAZETPRRFM-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000092135648 180332450 /nfs/dbraw/zinc/33/24/50/180332450.db2.gz WUECPPSNZMAXAD-LBPRGKRZSA-N 2 1 256.394 -0.404 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000092495877 180397548 /nfs/dbraw/zinc/39/75/48/180397548.db2.gz DTQZATMBTQNPDQ-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000092495877 180397550 /nfs/dbraw/zinc/39/75/50/180397550.db2.gz DTQZATMBTQNPDQ-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000032022758 351378037 /nfs/dbraw/zinc/37/80/37/351378037.db2.gz AYZDDJLPUKTQPF-TXEJJXNPSA-N 2 1 255.362 -0.083 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C2([NH3+])CCCCC2)CC1 ZINC000037020394 351396820 /nfs/dbraw/zinc/39/68/20/351396820.db2.gz YMCJMAPJCBZUPX-UHFFFAOYSA-N 2 1 296.415 -0.025 20 0 CBADMP C[NH2+][C@@H](C)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000054076102 351532744 /nfs/dbraw/zinc/53/27/44/351532744.db2.gz XWJLMWCVAGBLKT-STQMWFEESA-N 2 1 270.421 -0.018 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062855130 351576997 /nfs/dbraw/zinc/57/69/97/351576997.db2.gz MRRWYWSWTDTXKZ-HNNXBMFYSA-N 2 1 296.415 -0.297 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000063179609 351580129 /nfs/dbraw/zinc/58/01/29/351580129.db2.gz KZXMBGSLJGWIAY-LBPRGKRZSA-N 2 1 296.415 -0.168 20 0 CBADMP CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180354 351580352 /nfs/dbraw/zinc/58/03/52/351580352.db2.gz PUKHPARKHVWSTI-NEPJUHHUSA-N 2 1 284.404 -0.312 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccno2)C1 ZINC000063180241 351580541 /nfs/dbraw/zinc/58/05/41/351580541.db2.gz BXZTUHMCYKJNCR-SNVBAGLBSA-N 2 1 252.318 -0.039 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000063178672 351580710 /nfs/dbraw/zinc/58/07/10/351580710.db2.gz QPJRDUBVFDGROF-RYUDHWBXSA-N 2 1 255.362 -0.190 20 0 CBADMP C[C@H]([NH3+])CCC(=O)NCCC[NH+]1CCN(C)CC1 ZINC000070317398 351638766 /nfs/dbraw/zinc/63/87/66/351638766.db2.gz SIMVTQICRSBWGC-LBPRGKRZSA-N 2 1 256.394 -0.133 20 0 CBADMP CC[NH+](CC)CC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000068601013 351620712 /nfs/dbraw/zinc/62/07/12/351620712.db2.gz SOEKTWBUGSGSPF-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000068807505 351621730 /nfs/dbraw/zinc/62/17/30/351621730.db2.gz TUTQCKZGCZAJKM-WCQYABFASA-N 2 1 256.394 -0.134 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000068807905 351623560 /nfs/dbraw/zinc/62/35/60/351623560.db2.gz OMAADEHKVOOILV-DGCLKSJQSA-N 2 1 254.378 -0.652 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079521718 351693207 /nfs/dbraw/zinc/69/32/07/351693207.db2.gz KFEUDJNPYXFNCO-YPMHNXCESA-N 2 1 254.378 -0.510 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H](C)C(=O)NC)CC1 ZINC000081526941 351707707 /nfs/dbraw/zinc/70/77/07/351707707.db2.gz ORXFBPQZMTXVPK-LBPRGKRZSA-N 2 1 298.431 -0.099 20 0 CBADMP COCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000081318116 351704027 /nfs/dbraw/zinc/70/40/27/351704027.db2.gz BICYYIUGDJKWQP-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP COCCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000081318116 351704029 /nfs/dbraw/zinc/70/40/29/351704029.db2.gz BICYYIUGDJKWQP-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP COCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000081318116 351704032 /nfs/dbraw/zinc/70/40/32/351704032.db2.gz BICYYIUGDJKWQP-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP COCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000081318116 351704034 /nfs/dbraw/zinc/70/40/34/351704034.db2.gz BICYYIUGDJKWQP-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP CC[NH+]1CCN(CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000081292174 351704403 /nfs/dbraw/zinc/70/44/03/351704403.db2.gz JMEBNCONMPILBD-ZDUSSCGKSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088372400 351725343 /nfs/dbraw/zinc/72/53/43/351725343.db2.gz CWCHAPZPQRTGBM-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](C)CC2)CC1=O ZINC000096683557 351775975 /nfs/dbraw/zinc/77/59/75/351775975.db2.gz TXHRYMPUUWKHJS-LBPRGKRZSA-N 2 1 282.388 -0.830 20 0 CBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000092957072 351755194 /nfs/dbraw/zinc/75/51/94/351755194.db2.gz ZNBSPUYMDZYNIT-TUAOUCFPSA-N 2 1 254.378 -0.654 20 0 CBADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000094648499 351763926 /nfs/dbraw/zinc/76/39/26/351763926.db2.gz RIQXKSFLRDPSNG-YNEHKIRRSA-N 2 1 268.405 -0.264 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000094569161 351764616 /nfs/dbraw/zinc/76/46/16/351764616.db2.gz UDTZBHHJKULOFK-OLZOCXBDSA-N 2 1 285.388 -0.327 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000119367128 351833257 /nfs/dbraw/zinc/83/32/57/351833257.db2.gz XFQQLTOJLXGDLE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000119367128 351833260 /nfs/dbraw/zinc/83/32/60/351833260.db2.gz XFQQLTOJLXGDLE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000119367128 351833263 /nfs/dbraw/zinc/83/32/63/351833263.db2.gz XFQQLTOJLXGDLE-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114479821 351817053 /nfs/dbraw/zinc/81/70/53/351817053.db2.gz QOYHFSZMTAAUNU-NSHDSACASA-N 2 1 263.407 -0.191 20 0 CBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114479821 351817056 /nfs/dbraw/zinc/81/70/56/351817056.db2.gz QOYHFSZMTAAUNU-NSHDSACASA-N 2 1 263.407 -0.191 20 0 CBADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)NC(N)=O)CC[N@@H+]1C ZINC000123985749 351854828 /nfs/dbraw/zinc/85/48/28/351854828.db2.gz CMHXXQOECAUJGD-ZJUUUORDSA-N 2 1 256.350 -0.014 20 0 CBADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)NC(N)=O)CC[N@H+]1C ZINC000123985749 351854835 /nfs/dbraw/zinc/85/48/35/351854835.db2.gz CMHXXQOECAUJGD-ZJUUUORDSA-N 2 1 256.350 -0.014 20 0 CBADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)NC(N)=O)CC[NH+]1C ZINC000123985749 351854840 /nfs/dbraw/zinc/85/48/40/351854840.db2.gz CMHXXQOECAUJGD-ZJUUUORDSA-N 2 1 256.350 -0.014 20 0 CBADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)NC(N)=O)CC[NH+]1C ZINC000123985749 351854844 /nfs/dbraw/zinc/85/48/44/351854844.db2.gz CMHXXQOECAUJGD-ZJUUUORDSA-N 2 1 256.350 -0.014 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000126426214 351860766 /nfs/dbraw/zinc/86/07/66/351860766.db2.gz GQWLVCPTDNYAOC-DYEKYZERSA-N 2 1 296.415 -0.219 20 0 CBADMP CSCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000130815126 351882058 /nfs/dbraw/zinc/88/20/58/351882058.db2.gz NQDKOPSYDWTPJJ-LLVKDONJSA-N 2 1 275.418 -0.095 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129089133 351868736 /nfs/dbraw/zinc/86/87/36/351868736.db2.gz YLGIWJNKFAVBKD-VXGBXAGGSA-N 2 1 255.362 -0.035 20 0 CBADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCN1C(=O)CNC1=O ZINC000123724126 187106299 /nfs/dbraw/zinc/10/62/99/187106299.db2.gz GWHIFLFPGKKYRR-SNVBAGLBSA-N 2 1 256.350 -0.157 20 0 CBADMP NC(=O)NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150762650 351931365 /nfs/dbraw/zinc/93/13/65/351931365.db2.gz MDZWOTBYVUPXBL-NSHDSACASA-N 2 1 268.361 -0.011 20 0 CBADMP CC[N@@H+](C)CCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131279919 351884947 /nfs/dbraw/zinc/88/49/47/351884947.db2.gz BXEXSQYTBGWEDA-UHFFFAOYSA-N 2 1 256.394 -0.262 20 0 CBADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131805125 351889094 /nfs/dbraw/zinc/88/90/94/351889094.db2.gz XSPOSFUYJFJYFN-UWVGGRQHSA-N 2 1 256.350 -0.109 20 0 CBADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131805125 351889097 /nfs/dbraw/zinc/88/90/97/351889097.db2.gz XSPOSFUYJFJYFN-UWVGGRQHSA-N 2 1 256.350 -0.109 20 0 CBADMP C[C@@H](CNC(=O)NCC[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000133756224 351901024 /nfs/dbraw/zinc/90/10/24/351901024.db2.gz FGWWYYFGAMJTNL-ZDUSSCGKSA-N 2 1 285.436 -0.269 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000171202292 352009129 /nfs/dbraw/zinc/00/91/29/352009129.db2.gz ALQDHCOQMZPTRQ-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000171202292 352009132 /nfs/dbraw/zinc/00/91/32/352009132.db2.gz ALQDHCOQMZPTRQ-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000171202292 352009135 /nfs/dbraw/zinc/00/91/35/352009135.db2.gz ALQDHCOQMZPTRQ-LBPRGKRZSA-N 2 1 272.393 -0.042 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000157556322 351956567 /nfs/dbraw/zinc/95/65/67/351956567.db2.gz GEPKTJBGXZSCEK-QWRGUYRKSA-N 2 1 268.361 -0.901 20 0 CBADMP O=C(NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000160732609 351970959 /nfs/dbraw/zinc/97/09/59/351970959.db2.gz CYVHHKNBYGNYAW-GFCCVEGCSA-N 2 1 255.362 -0.441 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000167719731 351990369 /nfs/dbraw/zinc/99/03/69/351990369.db2.gz WSZYDKIQQXMSQB-WXHSDQCUSA-N 2 1 267.373 -0.158 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000168634814 351994215 /nfs/dbraw/zinc/99/42/15/351994215.db2.gz XCQPZCODZHDCCU-WCQYABFASA-N 2 1 282.388 -0.654 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000168634814 351994220 /nfs/dbraw/zinc/99/42/20/351994220.db2.gz XCQPZCODZHDCCU-WCQYABFASA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000168939853 351996246 /nfs/dbraw/zinc/99/62/46/351996246.db2.gz RCTMLYYVXFODFL-OLZOCXBDSA-N 2 1 285.388 -0.408 20 0 CBADMP COC1(C(=O)N[C@H](C)CC[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000168940917 351996334 /nfs/dbraw/zinc/99/63/34/351996334.db2.gz WAKOGMVYACKOQK-CYBMUJFWSA-N 2 1 299.415 -0.018 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000174641606 352049758 /nfs/dbraw/zinc/04/97/58/352049758.db2.gz PCGIDBUNZOKPQB-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000174641606 352049760 /nfs/dbraw/zinc/04/97/60/352049760.db2.gz PCGIDBUNZOKPQB-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[NH+](CC)CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186683849 352129983 /nfs/dbraw/zinc/12/99/83/352129983.db2.gz GGJNVFYJOXLNDN-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186701024 352130504 /nfs/dbraw/zinc/13/05/04/352130504.db2.gz QPKUUFFOVHDMBG-OLZOCXBDSA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000186899545 352133956 /nfs/dbraw/zinc/13/39/56/352133956.db2.gz QJXJRDOUZMQBOE-OLZOCXBDSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000186899545 352133960 /nfs/dbraw/zinc/13/39/60/352133960.db2.gz QJXJRDOUZMQBOE-OLZOCXBDSA-N 2 1 299.415 -0.379 20 0 CBADMP C[NH2+]C[C@H](C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000178700360 352081928 /nfs/dbraw/zinc/08/19/28/352081928.db2.gz ACZRCJJZPVNMQK-NSHDSACASA-N 2 1 270.377 -0.878 20 0 CBADMP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000178838409 352083685 /nfs/dbraw/zinc/08/36/85/352083685.db2.gz QCYDKTCLEVUWCW-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000178838409 352083689 /nfs/dbraw/zinc/08/36/89/352083689.db2.gz QCYDKTCLEVUWCW-NEPJUHHUSA-N 2 1 255.362 -0.225 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000178872211 352084732 /nfs/dbraw/zinc/08/47/32/352084732.db2.gz QUFGQCHJEMDUEH-CYBMUJFWSA-N 2 1 272.368 -0.558 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000178877572 352084767 /nfs/dbraw/zinc/08/47/67/352084767.db2.gz RQMNTPSSCKZQRK-ZIAGYGMSSA-N 2 1 282.432 -0.014 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCCS(N)(=O)=O ZINC000179291310 352089185 /nfs/dbraw/zinc/08/91/85/352089185.db2.gz ALPWDEIWXRVQJB-UHFFFAOYSA-N 2 1 292.449 -0.766 20 0 CBADMP OCCN(CC(O)C[N@@H+](CCO)C1CC1)C1CC1 ZINC000181780443 352101238 /nfs/dbraw/zinc/10/12/38/352101238.db2.gz GRJPHKIVUWSTBB-UHFFFAOYSA-N 2 1 258.362 -0.739 20 0 CBADMP OC(CN1CCC[C@H](O)C1)C[N@@H+]1CCC[C@@H](O)C1 ZINC000181774477 352101370 /nfs/dbraw/zinc/10/13/70/352101370.db2.gz BYBYNOZGNMRJCA-FUNVUKJBSA-N 2 1 258.362 -0.739 20 0 CBADMP OC(CN1CCC[C@H](O)C1)C[N@H+]1CCC[C@@H](O)C1 ZINC000181774477 352101373 /nfs/dbraw/zinc/10/13/73/352101373.db2.gz BYBYNOZGNMRJCA-FUNVUKJBSA-N 2 1 258.362 -0.739 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000187945771 352143856 /nfs/dbraw/zinc/14/38/56/352143856.db2.gz CRPUFNTYYUQARS-ADEWGFFLSA-N 2 1 255.362 -0.038 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)C1 ZINC000187930805 352144156 /nfs/dbraw/zinc/14/41/56/352144156.db2.gz LJGXLBSNMDPSIP-GRYCIOLGSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000188193292 352148610 /nfs/dbraw/zinc/14/86/10/352148610.db2.gz DOTKTGZSQNLFOX-VXGBXAGGSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@@H+](CCNC(=O)C[C@@H]1COCC[NH2+]1)C1CC1 ZINC000219932829 352238325 /nfs/dbraw/zinc/23/83/25/352238325.db2.gz PQZYWKDXLQRLLC-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000221111038 352239904 /nfs/dbraw/zinc/23/99/04/352239904.db2.gz AKOMDQKGKXLJPM-WDEREUQCSA-N 2 1 261.391 -0.248 20 0 CBADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000221111038 352239908 /nfs/dbraw/zinc/23/99/08/352239908.db2.gz AKOMDQKGKXLJPM-WDEREUQCSA-N 2 1 261.391 -0.248 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000227343864 352256568 /nfs/dbraw/zinc/25/65/68/352256568.db2.gz RQWIZHPXMBVTAE-CHWSQXEVSA-N 2 1 294.399 -0.639 20 0 CBADMP O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000227575452 352257939 /nfs/dbraw/zinc/25/79/39/352257939.db2.gz WFNRVPCCBONVLC-AAEUAGOBSA-N 2 1 267.373 -0.035 20 0 CBADMP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1csc(CC[NH3+])n1 ZINC000227443132 352257985 /nfs/dbraw/zinc/25/79/85/352257985.db2.gz MYUGAWLVMXKEBM-JTQLQIEISA-N 2 1 297.428 -0.380 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1csc(CC[NH3+])n1 ZINC000227443132 352257988 /nfs/dbraw/zinc/25/79/88/352257988.db2.gz MYUGAWLVMXKEBM-JTQLQIEISA-N 2 1 297.428 -0.380 20 0 CBADMP O=C(NCC[NH+]1CCSCC1)[C@@H]1C[NH2+]CCO1 ZINC000226390241 352252388 /nfs/dbraw/zinc/25/23/88/352252388.db2.gz YYAAHJMWIFUKDZ-JTQLQIEISA-N 2 1 259.375 -0.860 20 0 CBADMP CN1CCO[C@H](C(=O)N2CC[C@@H](CN3CCOCC3)C2)C1 ZINC000245417055 352318974 /nfs/dbraw/zinc/31/89/74/352318974.db2.gz FRTTXWDNIJYTOM-KBPBESRZSA-N 2 1 297.399 -0.502 20 0 CBADMP C[C@@H]1CN(C)CC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000235471581 352287877 /nfs/dbraw/zinc/28/78/77/352287877.db2.gz WYHRDJHUKAANAC-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP C[C@@H]1C[N@H+](C)CCN1CCC(=O)N1CC[NH2+]CC1 ZINC000235471581 352287878 /nfs/dbraw/zinc/28/78/78/352287878.db2.gz WYHRDJHUKAANAC-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP C[C@@H]1C[N@@H+](C)CCN1CCC(=O)N1CC[NH2+]CC1 ZINC000235471581 352287879 /nfs/dbraw/zinc/28/78/79/352287879.db2.gz WYHRDJHUKAANAC-GFCCVEGCSA-N 2 1 254.378 -0.556 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000236826635 352294284 /nfs/dbraw/zinc/29/42/84/352294284.db2.gz BAADUSHXIMYTGO-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH2+]C)CC1=O ZINC000236831584 352294784 /nfs/dbraw/zinc/29/47/84/352294784.db2.gz FPKRHJNHQXGFPT-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000236891539 352296048 /nfs/dbraw/zinc/29/60/48/352296048.db2.gz BINAUOZRTUWZGK-VXGBXAGGSA-N 2 1 286.445 -0.209 20 0 CBADMP C[NH+](C)C1CCN(CCNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000237083897 352298573 /nfs/dbraw/zinc/29/85/73/352298573.db2.gz YDFAUOOEPWSVEX-GFCCVEGCSA-N 2 1 286.445 -0.209 20 0 CBADMP COCCC[N@H+](C)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000237190838 352301209 /nfs/dbraw/zinc/30/12/09/352301209.db2.gz ASKVAVGRUMGXAT-SNVBAGLBSA-N 2 1 261.391 -0.267 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000237190838 352301210 /nfs/dbraw/zinc/30/12/10/352301210.db2.gz ASKVAVGRUMGXAT-SNVBAGLBSA-N 2 1 261.391 -0.267 20 0 CBADMP C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000237466198 352306476 /nfs/dbraw/zinc/30/64/76/352306476.db2.gz PUFLNCRNTCXOCU-NEPJUHHUSA-N 2 1 255.362 -0.320 20 0 CBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000237554673 352307457 /nfs/dbraw/zinc/30/74/57/352307457.db2.gz JOZAUNRZPGKWFO-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000237666211 352308249 /nfs/dbraw/zinc/30/82/49/352308249.db2.gz OSAURQQLFGKNPN-RQJABVFESA-N 2 1 299.415 -0.285 20 0 CBADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000237666709 352308473 /nfs/dbraw/zinc/30/84/73/352308473.db2.gz OSAURQQLFGKNPN-XJFOESAGSA-N 2 1 299.415 -0.285 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000237959932 352312134 /nfs/dbraw/zinc/31/21/34/352312134.db2.gz VVFMCVLLRKZTQM-OLZOCXBDSA-N 2 1 267.373 -0.081 20 0 CBADMP O=C([C@H]1COCC[NH2+]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000238011061 352312772 /nfs/dbraw/zinc/31/27/72/352312772.db2.gz VVFMCVLLRKZTQM-QWHCGFSZSA-N 2 1 267.373 -0.081 20 0 CBADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC000245468237 352321263 /nfs/dbraw/zinc/32/12/63/352321263.db2.gz SUYGBJPDGAXQBI-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000245468728 352321646 /nfs/dbraw/zinc/32/16/46/352321646.db2.gz UDZSOGDYCWMDCY-NWDGAFQWSA-N 2 1 255.362 -0.273 20 0 CBADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245468728 352321648 /nfs/dbraw/zinc/32/16/48/352321648.db2.gz UDZSOGDYCWMDCY-NWDGAFQWSA-N 2 1 255.362 -0.273 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CSCN2)C[C@@H]1C ZINC000246501538 352333343 /nfs/dbraw/zinc/33/33/43/352333343.db2.gz PWHCTPYAFKEBOY-GARJFASQSA-N 2 1 273.402 -0.438 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]C)C2)C1 ZINC000247127224 352344004 /nfs/dbraw/zinc/34/40/04/352344004.db2.gz NHJSGPICILNFLF-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]C)C2)C1 ZINC000247127224 352344007 /nfs/dbraw/zinc/34/40/07/352344007.db2.gz NHJSGPICILNFLF-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000249600151 352369602 /nfs/dbraw/zinc/36/96/02/352369602.db2.gz NSCGHKUNNXPGCU-ZDEQEGDKSA-N 2 1 285.388 -0.723 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000249600151 352369606 /nfs/dbraw/zinc/36/96/06/352369606.db2.gz NSCGHKUNNXPGCU-ZDEQEGDKSA-N 2 1 285.388 -0.723 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250354866 352372286 /nfs/dbraw/zinc/37/22/86/352372286.db2.gz YEKGKFFTRYWWNN-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[NH2+]CCO1 ZINC000251017829 352374347 /nfs/dbraw/zinc/37/43/47/352374347.db2.gz DNSGQYWHXRDMLB-CMPLNLGQSA-N 2 1 253.346 -0.425 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000251072774 352374513 /nfs/dbraw/zinc/37/45/13/352374513.db2.gz ZFILTRYOZCBNDE-IJLUTSLNSA-N 2 1 282.388 -0.560 20 0 CBADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CNC(=O)C[NH3+] ZINC000251781019 352374785 /nfs/dbraw/zinc/37/47/85/352374785.db2.gz MXSGKILQFYSWEZ-MNOVXSKESA-N 2 1 268.361 -0.854 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000252616040 352378318 /nfs/dbraw/zinc/37/83/18/352378318.db2.gz ZNBSPUYMDZYNIT-SDDRHHMPSA-N 2 1 254.378 -0.654 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000253146150 352381425 /nfs/dbraw/zinc/38/14/25/352381425.db2.gz IOSVQMXWAGRGCX-ZDEQEGDKSA-N 2 1 287.379 -0.010 20 0 CBADMP CC[C@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000253146150 352381428 /nfs/dbraw/zinc/38/14/28/352381428.db2.gz IOSVQMXWAGRGCX-ZDEQEGDKSA-N 2 1 287.379 -0.010 20 0 CBADMP COC[C@]1(C(=O)NCC[N@@H+](C)C2CC2)CC[NH2+]C1 ZINC000261585220 352390085 /nfs/dbraw/zinc/39/00/85/352390085.db2.gz SVXZWYPONAOWMQ-ZDUSSCGKSA-N 2 1 255.362 -0.177 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000261935693 352400822 /nfs/dbraw/zinc/40/08/22/352400822.db2.gz LZMLFPXNOIAKIW-JTQLQIEISA-N 2 1 252.318 -0.039 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000261935693 352400825 /nfs/dbraw/zinc/40/08/25/352400825.db2.gz LZMLFPXNOIAKIW-JTQLQIEISA-N 2 1 252.318 -0.039 20 0 CBADMP C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000261782864 352396528 /nfs/dbraw/zinc/39/65/28/352396528.db2.gz LFSBSYSRSZLLBJ-LLVKDONJSA-N 2 1 265.361 -0.198 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2(COC)CC[NH2+]CC2)C1 ZINC000261808913 352397613 /nfs/dbraw/zinc/39/76/13/352397613.db2.gz WPHRGXDXPOTRBR-ZDUSSCGKSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2(COC)CC[NH2+]CC2)C1 ZINC000261808913 352397620 /nfs/dbraw/zinc/39/76/20/352397620.db2.gz WPHRGXDXPOTRBR-ZDUSSCGKSA-N 2 1 299.415 -0.161 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000248894998 352356980 /nfs/dbraw/zinc/35/69/80/352356980.db2.gz XFRFUMFYBFHMGI-WOPDTQHZSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000248894998 352356982 /nfs/dbraw/zinc/35/69/82/352356982.db2.gz XFRFUMFYBFHMGI-WOPDTQHZSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000248894994 352357531 /nfs/dbraw/zinc/35/75/31/352357531.db2.gz XFRFUMFYBFHMGI-SRVKXCTJSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000248894994 352357535 /nfs/dbraw/zinc/35/75/35/352357535.db2.gz XFRFUMFYBFHMGI-SRVKXCTJSA-N 2 1 255.362 -0.036 20 0 CBADMP CC[C@@H]1CN(C(=O)C2C[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000262224678 352411459 /nfs/dbraw/zinc/41/14/59/352411459.db2.gz KZPUFBGSODBNGZ-CMPLNLGQSA-N 2 1 255.362 -0.491 20 0 CBADMP NC(=O)CC[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262252679 352412401 /nfs/dbraw/zinc/41/24/01/352412401.db2.gz WZBWNKXSMUPZND-ZDUSSCGKSA-N 2 1 296.415 -0.214 20 0 CBADMP C[C@H](C[NH3+])C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000262329511 352416063 /nfs/dbraw/zinc/41/60/63/352416063.db2.gz DMMZHWDIJRYLPC-CYBMUJFWSA-N 2 1 296.415 -0.262 20 0 CBADMP C[C@H](C[NH3+])C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000262329511 352416066 /nfs/dbraw/zinc/41/60/66/352416066.db2.gz DMMZHWDIJRYLPC-CYBMUJFWSA-N 2 1 296.415 -0.262 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@H]1C ZINC000262328045 352416525 /nfs/dbraw/zinc/41/65/25/352416525.db2.gz GJERBDIPJRSTGH-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP COCC[N@H+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@H]1C ZINC000262328045 352416527 /nfs/dbraw/zinc/41/65/27/352416527.db2.gz GJERBDIPJRSTGH-CHWSQXEVSA-N 2 1 285.388 -0.456 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)C[C@H]1C ZINC000262338437 352417462 /nfs/dbraw/zinc/41/74/62/352417462.db2.gz HPXVUYOPFMJLFH-AGIUHOORSA-N 2 1 285.388 -0.722 20 0 CBADMP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@H]1CC ZINC000262405372 352420125 /nfs/dbraw/zinc/42/01/25/352420125.db2.gz OOWQMMORFXEFDQ-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@H]1CC ZINC000262405372 352420127 /nfs/dbraw/zinc/42/01/27/352420127.db2.gz OOWQMMORFXEFDQ-MCIONIFRSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000262418903 352421066 /nfs/dbraw/zinc/42/10/66/352421066.db2.gz QFTFEDSODFZKAO-LOWDOPEQSA-N 2 1 285.388 -0.987 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000262418903 352421067 /nfs/dbraw/zinc/42/10/67/352421067.db2.gz QFTFEDSODFZKAO-LOWDOPEQSA-N 2 1 285.388 -0.987 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262417706 352421081 /nfs/dbraw/zinc/42/10/81/352421081.db2.gz RIXNQUWPLSHAEU-OLZOCXBDSA-N 2 1 285.388 -0.408 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262417704 352421161 /nfs/dbraw/zinc/42/11/61/352421161.db2.gz RIXNQUWPLSHAEU-CHWSQXEVSA-N 2 1 285.388 -0.408 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000262417709 352421271 /nfs/dbraw/zinc/42/12/71/352421271.db2.gz RIXNQUWPLSHAEU-QWHCGFSZSA-N 2 1 285.388 -0.408 20 0 CBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262447444 352422677 /nfs/dbraw/zinc/42/26/77/352422677.db2.gz UHERHYBXYOENSU-JHJVBQTASA-N 2 1 269.389 -0.054 20 0 CBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)C[NH3+])CC1 ZINC000262473815 352423698 /nfs/dbraw/zinc/42/36/98/352423698.db2.gz YOSKGMPNFQKDRM-NSHDSACASA-N 2 1 284.404 -0.312 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262545949 352425040 /nfs/dbraw/zinc/42/50/40/352425040.db2.gz SAOUNZIILVHDPW-YNEHKIRRSA-N 2 1 285.388 -0.818 20 0 CBADMP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262533882 352425205 /nfs/dbraw/zinc/42/52/05/352425205.db2.gz PRDBWHXQLPVNDR-DOMZBBRYSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]C)C1 ZINC000262586570 352427252 /nfs/dbraw/zinc/42/72/52/352427252.db2.gz OWQDLKBWMPQRNT-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]C)C1 ZINC000262586570 352427255 /nfs/dbraw/zinc/42/72/55/352427255.db2.gz OWQDLKBWMPQRNT-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000262599283 352427693 /nfs/dbraw/zinc/42/76/93/352427693.db2.gz XMWBIKGCIDLRBI-ZIAGYGMSSA-N 2 1 299.415 -0.162 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000262765212 352433510 /nfs/dbraw/zinc/43/35/10/352433510.db2.gz KXVDVPWRMYFBNF-TUAOUCFPSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000262765212 352433515 /nfs/dbraw/zinc/43/35/15/352433515.db2.gz KXVDVPWRMYFBNF-TUAOUCFPSA-N 2 1 255.362 -0.179 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000263225768 352439717 /nfs/dbraw/zinc/43/97/17/352439717.db2.gz GKTKIZGIMSQYNI-QKCSRTOESA-N 2 1 296.415 -0.315 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000261992566 352403368 /nfs/dbraw/zinc/40/33/68/352403368.db2.gz SXFCFTAKQCQPBD-UTUOFQBUSA-N 2 1 255.362 -0.131 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262117863 352407264 /nfs/dbraw/zinc/40/72/64/352407264.db2.gz BPFMJKLEDQMKIG-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)c1ccc(F)cc1 ZINC000269709678 352479309 /nfs/dbraw/zinc/47/93/09/352479309.db2.gz NSAAAUHAAGHVSE-NEPJUHHUSA-N 2 1 296.346 -0.253 20 0 CBADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)c1ccc(F)cc1 ZINC000269709681 352479390 /nfs/dbraw/zinc/47/93/90/352479390.db2.gz NSAAAUHAAGHVSE-RYUDHWBXSA-N 2 1 296.346 -0.253 20 0 CBADMP C[N@H+](CCNC(=O)[C@@H]([NH3+])CC(N)=O)Cc1ccccc1 ZINC000269739371 352480367 /nfs/dbraw/zinc/48/03/67/352480367.db2.gz VBFALDQENMFXDW-LBPRGKRZSA-N 2 1 278.356 -0.563 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(N)=O)Cc1ccccc1 ZINC000269739371 352480371 /nfs/dbraw/zinc/48/03/71/352480371.db2.gz VBFALDQENMFXDW-LBPRGKRZSA-N 2 1 278.356 -0.563 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)[N@H+](C)Cc1ccccc1 ZINC000269742671 352480743 /nfs/dbraw/zinc/48/07/43/352480743.db2.gz WFIWKKPANGTRSS-AAEUAGOBSA-N 2 1 292.383 -0.174 20 0 CBADMP C[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)[N@@H+](C)Cc1ccccc1 ZINC000269742671 352480746 /nfs/dbraw/zinc/48/07/46/352480746.db2.gz WFIWKKPANGTRSS-AAEUAGOBSA-N 2 1 292.383 -0.174 20 0 CBADMP Cc1cnn(C)c1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000286517983 352645683 /nfs/dbraw/zinc/64/56/83/352645683.db2.gz NBJPKLDSEKHORY-UHFFFAOYSA-N 2 1 279.388 -0.018 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000286630855 352647508 /nfs/dbraw/zinc/64/75/08/352647508.db2.gz ZQVGDWHMOJTNBZ-NSHDSACASA-N 2 1 295.387 -0.236 20 0 CBADMP C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C1=CC[N@@H+](C)CC1 ZINC000289555196 352663916 /nfs/dbraw/zinc/66/39/16/352663916.db2.gz IRRRASCJDQYWCB-GFCCVEGCSA-N 2 1 296.415 -0.227 20 0 CBADMP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(=O)n(C)c1=O ZINC000292843014 352685923 /nfs/dbraw/zinc/68/59/23/352685923.db2.gz SIBZWTIBWWQLGF-OAHLLOKOSA-N 2 1 292.383 -0.388 20 0 CBADMP Cn1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(=O)n(C)c1=O ZINC000292843014 352685926 /nfs/dbraw/zinc/68/59/26/352685926.db2.gz SIBZWTIBWWQLGF-OAHLLOKOSA-N 2 1 292.383 -0.388 20 0 CBADMP Cn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(=O)n(C)c1=O ZINC000292843014 352685929 /nfs/dbraw/zinc/68/59/29/352685929.db2.gz SIBZWTIBWWQLGF-OAHLLOKOSA-N 2 1 292.383 -0.388 20 0 CBADMP O[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](O)C2)C1 ZINC000304786584 352747387 /nfs/dbraw/zinc/74/73/87/352747387.db2.gz IMNWMMGSUDJJFV-ZIAGYGMSSA-N 2 1 272.389 -0.084 20 0 CBADMP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000310133663 352757806 /nfs/dbraw/zinc/75/78/06/352757806.db2.gz IHWQBVNQFXIYIT-LLVKDONJSA-N 2 1 263.407 -0.061 20 0 CBADMP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310758116 352761634 /nfs/dbraw/zinc/76/16/34/352761634.db2.gz AIICOWCEHNCSJL-TXEJJXNPSA-N 2 1 275.418 -0.191 20 0 CBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000310972106 352764311 /nfs/dbraw/zinc/76/43/11/352764311.db2.gz IIIMCULTARZACY-CABZTGNLSA-N 2 1 254.334 -0.497 20 0 CBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000310972106 352764313 /nfs/dbraw/zinc/76/43/13/352764313.db2.gz IIIMCULTARZACY-CABZTGNLSA-N 2 1 254.334 -0.497 20 0 CBADMP COC(=O)CCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000311060168 352765213 /nfs/dbraw/zinc/76/52/13/352765213.db2.gz WTOOFRSDCZHCQV-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000311092251 352765870 /nfs/dbraw/zinc/76/58/70/352765870.db2.gz ZBMYWWOQDARPIF-SRVKXCTJSA-N 2 1 257.378 -0.115 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000311092251 352765872 /nfs/dbraw/zinc/76/58/72/352765872.db2.gz ZBMYWWOQDARPIF-SRVKXCTJSA-N 2 1 257.378 -0.115 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000311092251 352765874 /nfs/dbraw/zinc/76/58/74/352765874.db2.gz ZBMYWWOQDARPIF-SRVKXCTJSA-N 2 1 257.378 -0.115 20 0 CBADMP CCOC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000311182460 352766852 /nfs/dbraw/zinc/76/68/52/352766852.db2.gz ZGJSIQJQRPYZLT-OLZOCXBDSA-N 2 1 260.378 -0.180 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1COCC1(C)C ZINC000313025516 352777142 /nfs/dbraw/zinc/77/71/42/352777142.db2.gz HKTDBAOOJWTKBH-NWDGAFQWSA-N 2 1 260.378 -0.060 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1COCC1(C)C ZINC000313025516 352777149 /nfs/dbraw/zinc/77/71/49/352777149.db2.gz HKTDBAOOJWTKBH-NWDGAFQWSA-N 2 1 260.378 -0.060 20 0 CBADMP C[N@H+]1CCC[C@@H](CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000311996374 352772905 /nfs/dbraw/zinc/77/29/05/352772905.db2.gz PHKHJUGJLPJZMO-RYUDHWBXSA-N 2 1 291.417 -0.764 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@H](C)C[NH2+]1 ZINC000331377073 352910349 /nfs/dbraw/zinc/91/03/49/352910349.db2.gz HHKONHFRLXFXMR-IJLUTSLNSA-N 2 1 294.399 -0.452 20 0 CBADMP CC1(C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH2+]1 ZINC000331377054 352910519 /nfs/dbraw/zinc/91/05/19/352910519.db2.gz HGNRGHXTTWGIER-LLVKDONJSA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@@H](C)C[NH2+]1 ZINC000331377075 352910533 /nfs/dbraw/zinc/91/05/33/352910533.db2.gz HHKONHFRLXFXMR-WOPDTQHZSA-N 2 1 294.399 -0.452 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)C1 ZINC000331389116 352911143 /nfs/dbraw/zinc/91/11/43/352911143.db2.gz AFRRAMWRQJGWEW-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C[N@H+]1C1CC1 ZINC000331392671 352911872 /nfs/dbraw/zinc/91/18/72/352911872.db2.gz MUJGTFXBXAOBCB-IJLUTSLNSA-N 2 1 294.399 -0.452 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000331462742 352916910 /nfs/dbraw/zinc/91/69/10/352916910.db2.gz NDLCACAFTVBJCF-LBPRGKRZSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000331524523 352921359 /nfs/dbraw/zinc/92/13/59/352921359.db2.gz VRRDVWJJWJXCAZ-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000331524525 352921474 /nfs/dbraw/zinc/92/14/74/352921474.db2.gz VRRDVWJJWJXCAZ-ZDUSSCGKSA-N 2 1 296.415 -0.344 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000331589491 352926741 /nfs/dbraw/zinc/92/67/41/352926741.db2.gz GMPYTXSWRJYKFJ-NEPJUHHUSA-N 2 1 280.372 -0.839 20 0 CBADMP CN1CCO[C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000332833171 352987852 /nfs/dbraw/zinc/98/78/52/352987852.db2.gz VKSXTQLKLXKXIB-YPMHNXCESA-N 2 1 282.388 -0.147 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332195750 352939175 /nfs/dbraw/zinc/93/91/75/352939175.db2.gz XUHPOEYRHKFOMC-VXGBXAGGSA-N 2 1 280.372 -0.839 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332195750 352939178 /nfs/dbraw/zinc/93/91/78/352939178.db2.gz XUHPOEYRHKFOMC-VXGBXAGGSA-N 2 1 280.372 -0.839 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000332196650 352939327 /nfs/dbraw/zinc/93/93/27/352939327.db2.gz CMZOTCSBBMUUSY-JHJVBQTASA-N 2 1 294.399 -0.498 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C[C@H]1[NH3+] ZINC000332263760 352941281 /nfs/dbraw/zinc/94/12/81/352941281.db2.gz UCSLYROOHNFELN-MROQNXINSA-N 2 1 294.399 -0.513 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000332320814 352944279 /nfs/dbraw/zinc/94/42/79/352944279.db2.gz OSTIGPLNWMGJAN-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332495949 352959637 /nfs/dbraw/zinc/95/96/37/352959637.db2.gz PWXZICJXFULJQC-CHWSQXEVSA-N 2 1 294.399 -0.449 20 0 CBADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332495949 352959639 /nfs/dbraw/zinc/95/96/39/352959639.db2.gz PWXZICJXFULJQC-CHWSQXEVSA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC[NH2+]1 ZINC000332592171 352968571 /nfs/dbraw/zinc/96/85/71/352968571.db2.gz AUACFHPYRCNYME-VXGBXAGGSA-N 2 1 280.372 -0.887 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333949255 353014574 /nfs/dbraw/zinc/01/45/74/353014574.db2.gz XCDORWGQNQCLDR-KGLIPLIRSA-N 2 1 295.431 -0.230 20 0 CBADMP C[C@H]1[NH2+]CCN(C(=O)NCC(F)(F)C[NH3+])[C@@H]1C ZINC000335423777 353032560 /nfs/dbraw/zinc/03/25/60/353032560.db2.gz UFOJSHJCKDUTJR-HTQZYQBOSA-N 2 1 250.293 -0.028 20 0 CBADMP C[C@@H]1[NH2+]CCN(C(=O)NCC(F)(F)C[NH3+])[C@H]1C ZINC000335423787 353032862 /nfs/dbraw/zinc/03/28/62/353032862.db2.gz UFOJSHJCKDUTJR-YUMQZZPRSA-N 2 1 250.293 -0.028 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NCCN2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000333422282 353000691 /nfs/dbraw/zinc/00/06/91/353000691.db2.gz SRIHMWXKBNWBAB-OLZOCXBDSA-N 2 1 295.431 -0.184 20 0 CBADMP CN(C(=O)NCC[N@@H+](C)C1CCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333603697 353005622 /nfs/dbraw/zinc/00/56/22/353005622.db2.gz PTPCSDJNRPCQLJ-STQMWFEESA-N 2 1 284.404 -0.165 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[NH+](C2CC2)CC1 ZINC000333596628 353005674 /nfs/dbraw/zinc/00/56/74/353005674.db2.gz VXGXROLFRIPJCH-LBPRGKRZSA-N 2 1 268.361 -0.536 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333680656 353007813 /nfs/dbraw/zinc/00/78/13/353007813.db2.gz ORXLLEJUEYBNDN-LBPRGKRZSA-N 2 1 270.377 -0.288 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333744748 353009347 /nfs/dbraw/zinc/00/93/47/353009347.db2.gz YDALOVLBUHIAKN-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333744748 353009348 /nfs/dbraw/zinc/00/93/48/353009348.db2.gz YDALOVLBUHIAKN-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000333764671 353009837 /nfs/dbraw/zinc/00/98/37/353009837.db2.gz BBMWBYGZYSUPCO-UPJWGTAASA-N 2 1 284.404 -0.308 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000333764671 353009839 /nfs/dbraw/zinc/00/98/39/353009839.db2.gz BBMWBYGZYSUPCO-UPJWGTAASA-N 2 1 284.404 -0.308 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333796698 353010683 /nfs/dbraw/zinc/01/06/83/353010683.db2.gz HBWICSILJOCBIZ-RYUDHWBXSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333796698 353010685 /nfs/dbraw/zinc/01/06/85/353010685.db2.gz HBWICSILJOCBIZ-RYUDHWBXSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)C[C@H](C)[N@@H+]1C ZINC000333863296 353012860 /nfs/dbraw/zinc/01/28/60/353012860.db2.gz SNDJSDBVKIHNLK-BETUJISGSA-N 2 1 283.420 -0.374 20 0 CBADMP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000333940035 353014270 /nfs/dbraw/zinc/01/42/70/353014270.db2.gz NSXATRBPVQTAHZ-KGLIPLIRSA-N 2 1 295.431 -0.182 20 0 CBADMP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000333940037 353014316 /nfs/dbraw/zinc/01/43/16/353014316.db2.gz NSXATRBPVQTAHZ-ZIAGYGMSSA-N 2 1 295.431 -0.182 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336828413 353061434 /nfs/dbraw/zinc/06/14/34/353061434.db2.gz PJTLRAZBLGZQDK-WCQYABFASA-N 2 1 286.420 -0.068 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CC[NH+](CC(C)(C)O)CC1)C1CC1 ZINC000336837661 353062729 /nfs/dbraw/zinc/06/27/29/353062729.db2.gz MEHOHYFJKXKEEC-AWEZNQCLSA-N 2 1 285.432 -0.170 20 0 CBADMP Cn1cc[nH+]c1N1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336848784 353064219 /nfs/dbraw/zinc/06/42/19/353064219.db2.gz NAPOJQZHJYWYTJ-AWEZNQCLSA-N 2 1 293.415 -0.003 20 0 CBADMP Cn1cc[nH+]c1N1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336848784 353064222 /nfs/dbraw/zinc/06/42/22/353064222.db2.gz NAPOJQZHJYWYTJ-AWEZNQCLSA-N 2 1 293.415 -0.003 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)C1([NH3+])CCOCC1 ZINC000338140062 353086410 /nfs/dbraw/zinc/08/64/10/353086410.db2.gz SJKXIFQUGMIHTJ-UHFFFAOYSA-N 2 1 273.377 -0.421 20 0 CBADMP C[C@@H]1C[C@H](O)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338282292 353092382 /nfs/dbraw/zinc/09/23/82/353092382.db2.gz WTMODKJZOIMODB-NEPJUHHUSA-N 2 1 255.362 -0.394 20 0 CBADMP C[C@@H]1C[C@H](O)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338282292 353092383 /nfs/dbraw/zinc/09/23/83/353092383.db2.gz WTMODKJZOIMODB-NEPJUHHUSA-N 2 1 255.362 -0.394 20 0 CBADMP COC[C@@](C)(CCO)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338272773 353092528 /nfs/dbraw/zinc/09/25/28/353092528.db2.gz GIUKUFMKXQUKRR-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP CC[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000338284230 353093108 /nfs/dbraw/zinc/09/31/08/353093108.db2.gz YBRLNIKXOSZZGR-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP CC[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000338284230 353093111 /nfs/dbraw/zinc/09/31/11/353093111.db2.gz YBRLNIKXOSZZGR-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP CCO[C@@H]1COCC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338293046 353093790 /nfs/dbraw/zinc/09/37/90/353093790.db2.gz DSSUEVBRVPZJOU-UONOGXRCSA-N 2 1 299.415 -0.066 20 0 CBADMP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC[C@H]1O ZINC000338312192 353095560 /nfs/dbraw/zinc/09/55/60/353095560.db2.gz BQONKTBLVZCDTR-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC[C@H]1O ZINC000338312192 353095563 /nfs/dbraw/zinc/09/55/63/353095563.db2.gz BQONKTBLVZCDTR-CHWSQXEVSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](CO)C2)CC1 ZINC000338311695 353095596 /nfs/dbraw/zinc/09/55/96/353095596.db2.gz CCNZGLPZEKHYRI-LBPRGKRZSA-N 2 1 255.362 -0.535 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](CO)C2)CC1 ZINC000338311695 353095598 /nfs/dbraw/zinc/09/55/98/353095598.db2.gz CCNZGLPZEKHYRI-LBPRGKRZSA-N 2 1 255.362 -0.535 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](CO)C2)CC1 ZINC000338311694 353095604 /nfs/dbraw/zinc/09/56/04/353095604.db2.gz CCNZGLPZEKHYRI-GFCCVEGCSA-N 2 1 255.362 -0.535 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](CO)C2)CC1 ZINC000338311694 353095606 /nfs/dbraw/zinc/09/56/06/353095606.db2.gz CCNZGLPZEKHYRI-GFCCVEGCSA-N 2 1 255.362 -0.535 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000338357881 353097767 /nfs/dbraw/zinc/09/77/67/353097767.db2.gz MSSUVDNJYUPRPU-CQSZACIVSA-N 2 1 282.388 -0.652 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000338357881 353097769 /nfs/dbraw/zinc/09/77/69/353097769.db2.gz MSSUVDNJYUPRPU-CQSZACIVSA-N 2 1 282.388 -0.652 20 0 CBADMP C[C@H]1[C@H](CO)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338361359 353098526 /nfs/dbraw/zinc/09/85/26/353098526.db2.gz RROGNWOKNDIDNF-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1[C@H](CO)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338361359 353098527 /nfs/dbraw/zinc/09/85/27/353098527.db2.gz RROGNWOKNDIDNF-STQMWFEESA-N 2 1 269.389 -0.147 20 0 CBADMP COCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000338371360 353099371 /nfs/dbraw/zinc/09/93/71/353099371.db2.gz HMRRRIMVGFMEOZ-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP COCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000338371360 353099373 /nfs/dbraw/zinc/09/93/73/353099373.db2.gz HMRRRIMVGFMEOZ-AWEZNQCLSA-N 2 1 299.415 -0.112 20 0 CBADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000340271027 353161302 /nfs/dbraw/zinc/16/13/02/353161302.db2.gz JFXDMRQDAJZZHC-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000340271027 353161305 /nfs/dbraw/zinc/16/13/05/353161305.db2.gz JFXDMRQDAJZZHC-CHWSQXEVSA-N 2 1 269.389 -0.004 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340814169 353187917 /nfs/dbraw/zinc/18/79/17/353187917.db2.gz GMXYQYYCTYNQMI-STQMWFEESA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340814168 353187978 /nfs/dbraw/zinc/18/79/78/353187978.db2.gz GMXYQYYCTYNQMI-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000341310673 353208999 /nfs/dbraw/zinc/20/89/99/353208999.db2.gz ZZXFREMTJYBPKX-KGLIPLIRSA-N 2 1 298.431 -0.541 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000341310673 353209002 /nfs/dbraw/zinc/20/90/02/353209002.db2.gz ZZXFREMTJYBPKX-KGLIPLIRSA-N 2 1 298.431 -0.541 20 0 CBADMP CC(C)NS(=O)(=O)NCC[NH2+]C1CC[NH+](C)CC1 ZINC000341358269 353210703 /nfs/dbraw/zinc/21/07/03/353210703.db2.gz DTNVYTJVDJICGD-UHFFFAOYSA-N 2 1 278.422 -0.497 20 0 CBADMP COC(=O)c1cn(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)nn1 ZINC000342807023 353233555 /nfs/dbraw/zinc/23/35/55/353233555.db2.gz VKQYIJAKCBMZLU-GHMZBOCLSA-N 2 1 281.360 -0.006 20 0 CBADMP C[C@H](CO)[N@H+](C)CC1(CN(C)[C@@H](C)CO)COC1 ZINC000342092173 353219450 /nfs/dbraw/zinc/21/94/50/353219450.db2.gz PWCJALFISUJUIZ-TXEJJXNPSA-N 2 1 260.378 -0.372 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000342693781 353227948 /nfs/dbraw/zinc/22/79/48/353227948.db2.gz NAWVZFJEXKQEFY-GFCCVEGCSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000342689279 353228293 /nfs/dbraw/zinc/22/82/93/353228293.db2.gz DHZHEAMQBYKYLC-LBPRGKRZSA-N 2 1 283.372 -0.036 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000342715184 353228751 /nfs/dbraw/zinc/22/87/51/353228751.db2.gz CJFSNDAOLVQADP-GHMZBOCLSA-N 2 1 269.345 -0.427 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000342736211 353230527 /nfs/dbraw/zinc/23/05/27/353230527.db2.gz MTVXKRJBVSPCDU-ONGXEEELSA-N 2 1 269.345 -0.380 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000342737570 353230756 /nfs/dbraw/zinc/23/07/56/353230756.db2.gz NFOWFCRIUUCEMM-NXEZZACHSA-N 2 1 257.334 -0.571 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000342737570 353230759 /nfs/dbraw/zinc/23/07/59/353230759.db2.gz NFOWFCRIUUCEMM-NXEZZACHSA-N 2 1 257.334 -0.571 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343179484 353257659 /nfs/dbraw/zinc/25/76/59/353257659.db2.gz LAQNBLKOJONMQF-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343179484 353257661 /nfs/dbraw/zinc/25/76/61/353257661.db2.gz LAQNBLKOJONMQF-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343179484 353257663 /nfs/dbraw/zinc/25/76/63/353257663.db2.gz LAQNBLKOJONMQF-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP O=C(NCCNc1cc[nH+]cc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343199419 353259438 /nfs/dbraw/zinc/25/94/38/353259438.db2.gz BBTHONJFQQLGRM-CQSZACIVSA-N 2 1 289.383 -0.579 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343226936 353261065 /nfs/dbraw/zinc/26/10/65/353261065.db2.gz QDUYLTATXLPZFM-QWHCGFSZSA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343226936 353261068 /nfs/dbraw/zinc/26/10/68/353261068.db2.gz QDUYLTATXLPZFM-QWHCGFSZSA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343226936 353261072 /nfs/dbraw/zinc/26/10/72/353261072.db2.gz QDUYLTATXLPZFM-QWHCGFSZSA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000343294876 353265445 /nfs/dbraw/zinc/26/54/45/353265445.db2.gz KBDWCILOUBVSBE-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343310231 353266747 /nfs/dbraw/zinc/26/67/47/353266747.db2.gz MXKUVCCCJCMOBG-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343326669 353268273 /nfs/dbraw/zinc/26/82/73/353268273.db2.gz YJJBNFDJYTYFSO-OLZOCXBDSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343326669 353268276 /nfs/dbraw/zinc/26/82/76/353268276.db2.gz YJJBNFDJYTYFSO-OLZOCXBDSA-N 2 1 266.389 -0.413 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343326669 353268279 /nfs/dbraw/zinc/26/82/79/353268279.db2.gz YJJBNFDJYTYFSO-OLZOCXBDSA-N 2 1 266.389 -0.413 20 0 CBADMP CC[C@@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCC[NH2+]1 ZINC000343770672 353290496 /nfs/dbraw/zinc/29/04/96/353290496.db2.gz TUQLODZGYPCLEH-WFASDCNBSA-N 2 1 296.415 -0.025 20 0 CBADMP CC[NH+]1CCN(CC(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000346127369 353362601 /nfs/dbraw/zinc/36/26/01/353362601.db2.gz VMBZZESOQBJPBR-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000347187530 353396190 /nfs/dbraw/zinc/39/61/90/353396190.db2.gz CDXJGFKPWGCDRM-QWRGUYRKSA-N 2 1 280.372 -0.357 20 0 CBADMP C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)C2)C1 ZINC000346325503 353370932 /nfs/dbraw/zinc/37/09/32/353370932.db2.gz NXFKHWUXNBPOPL-ZBFHGGJFSA-N 2 1 292.427 -0.070 20 0 CBADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)C1 ZINC000346325503 353370934 /nfs/dbraw/zinc/37/09/34/353370934.db2.gz NXFKHWUXNBPOPL-ZBFHGGJFSA-N 2 1 292.427 -0.070 20 0 CBADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C2)C1 ZINC000346325503 353370937 /nfs/dbraw/zinc/37/09/37/353370937.db2.gz NXFKHWUXNBPOPL-ZBFHGGJFSA-N 2 1 292.427 -0.070 20 0 CBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)C2)C1 ZINC000346325498 353371047 /nfs/dbraw/zinc/37/10/47/353371047.db2.gz NXFKHWUXNBPOPL-GDBMZVCRSA-N 2 1 292.427 -0.070 20 0 CBADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)C1 ZINC000346325498 353371049 /nfs/dbraw/zinc/37/10/49/353371049.db2.gz NXFKHWUXNBPOPL-GDBMZVCRSA-N 2 1 292.427 -0.070 20 0 CBADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C2)C1 ZINC000346325498 353371052 /nfs/dbraw/zinc/37/10/52/353371052.db2.gz NXFKHWUXNBPOPL-GDBMZVCRSA-N 2 1 292.427 -0.070 20 0 CBADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000346674724 353389592 /nfs/dbraw/zinc/38/95/92/353389592.db2.gz IYCIWHQPDNZGFQ-LBPRGKRZSA-N 2 1 282.388 -0.111 20 0 CBADMP COC[C@]1(C(=O)NCC[NH+]2CCSCC2)CC[NH2+]C1 ZINC000261589764 137694414 /nfs/dbraw/zinc/69/44/14/137694414.db2.gz KXJMHYAWPNSMQZ-ZDUSSCGKSA-N 2 1 287.429 -0.223 20 0 CBADMP COCC[NH+]1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000348987710 353443276 /nfs/dbraw/zinc/44/32/76/353443276.db2.gz GCUYPZHVHYFILS-UHFFFAOYSA-N 2 1 271.361 -0.845 20 0 CBADMP CC[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[N@H+]1CCOC ZINC000348992727 353443725 /nfs/dbraw/zinc/44/37/25/353443725.db2.gz ITEACZPCOGAXGC-ZDUSSCGKSA-N 2 1 299.415 -0.066 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349006985 353445013 /nfs/dbraw/zinc/44/50/13/353445013.db2.gz UTXWQGRPFNEORR-UHFFFAOYSA-N 2 1 298.431 -0.491 20 0 CBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000349032598 353445710 /nfs/dbraw/zinc/44/57/10/353445710.db2.gz XRNOGXZAEKDLOJ-AWEZNQCLSA-N 2 1 299.415 -0.162 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000349639111 353457958 /nfs/dbraw/zinc/45/79/58/353457958.db2.gz RCULNOIPPWFGIN-CHWSQXEVSA-N 2 1 285.436 -0.128 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000350046372 353470873 /nfs/dbraw/zinc/47/08/73/353470873.db2.gz CGHSQMCOHXSZBW-KGLIPLIRSA-N 2 1 297.447 -0.032 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000351556397 353475968 /nfs/dbraw/zinc/47/59/68/353475968.db2.gz NZOLKQFZOQUPAO-NTZNESFSSA-N 2 1 294.399 -0.404 20 0 CBADMP C[NH+](CCOCC[N@H+](C)C1(CO)CC1)C1(CO)CC1 ZINC000353027058 353517963 /nfs/dbraw/zinc/51/79/63/353517963.db2.gz WFOIXYVBACFMTL-UHFFFAOYSA-N 2 1 272.389 -0.084 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000353065422 353519342 /nfs/dbraw/zinc/51/93/42/353519342.db2.gz HZROBEYUJOXRSZ-CQSZACIVSA-N 2 1 297.447 -0.032 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000353065422 353519343 /nfs/dbraw/zinc/51/93/43/353519343.db2.gz HZROBEYUJOXRSZ-CQSZACIVSA-N 2 1 297.447 -0.032 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000353065422 353519345 /nfs/dbraw/zinc/51/93/45/353519345.db2.gz HZROBEYUJOXRSZ-CQSZACIVSA-N 2 1 297.447 -0.032 20 0 CBADMP C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000353090570 353520889 /nfs/dbraw/zinc/52/08/89/353520889.db2.gz SQFQPNZRNSPUML-VXGBXAGGSA-N 2 1 271.409 -0.519 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000353217409 353528330 /nfs/dbraw/zinc/52/83/30/353528330.db2.gz YKXUWHIATWJISF-LBPRGKRZSA-N 2 1 282.388 -0.334 20 0 CBADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000353437639 353532721 /nfs/dbraw/zinc/53/27/21/353532721.db2.gz JFIUCHVGMCZQHS-WHOHXGKFSA-N 2 1 284.404 -0.328 20 0 CBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000353437639 353532725 /nfs/dbraw/zinc/53/27/25/353532725.db2.gz JFIUCHVGMCZQHS-WHOHXGKFSA-N 2 1 284.404 -0.328 20 0 CBADMP COC[C@@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000354068572 353541756 /nfs/dbraw/zinc/54/17/56/353541756.db2.gz PVOJFNRJOYYPCB-GXSJLCMTSA-N 2 1 254.334 -0.082 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[C@@H]1O ZINC000352660317 353499980 /nfs/dbraw/zinc/49/99/80/353499980.db2.gz NGUUNHHMKZOSNQ-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[C@@H]1O ZINC000352660317 353499981 /nfs/dbraw/zinc/49/99/81/353499981.db2.gz NGUUNHHMKZOSNQ-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+](C)C1(CNC(=O)C(=O)NCC[N@H+](C)C2CC2)CCC1 ZINC000354652654 353574694 /nfs/dbraw/zinc/57/46/94/353574694.db2.gz DRDYMMAJKJDXLR-UHFFFAOYSA-N 2 1 296.415 -0.203 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354669542 353576893 /nfs/dbraw/zinc/57/68/93/353576893.db2.gz IIAMQWRLEQJDOK-NWDGAFQWSA-N 2 1 282.388 -0.545 20 0 CBADMP CC[N@@H+](CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000354705216 353579668 /nfs/dbraw/zinc/57/96/68/353579668.db2.gz FYNKLWRRELPGPU-CYBMUJFWSA-N 2 1 296.415 -0.155 20 0 CBADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000354721019 353580264 /nfs/dbraw/zinc/58/02/64/353580264.db2.gz YDOLHFBTJIXITA-CHWSQXEVSA-N 2 1 294.399 -0.449 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000354715291 353580394 /nfs/dbraw/zinc/58/03/94/353580394.db2.gz SRKRKBJYKTZVLL-UHFFFAOYSA-N 2 1 257.378 -0.099 20 0 CBADMP C[C@@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000357205391 353601881 /nfs/dbraw/zinc/60/18/81/353601881.db2.gz VVQKOKQMLNPFLH-NWDGAFQWSA-N 2 1 269.389 -0.074 20 0 CBADMP COCC[N@@H+]1CC[C@@H](NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000358119592 353627603 /nfs/dbraw/zinc/62/76/03/353627603.db2.gz OTUMBMNBRRBMEU-CHWSQXEVSA-N 2 1 257.378 -0.637 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000358119592 353627607 /nfs/dbraw/zinc/62/76/07/353627607.db2.gz OTUMBMNBRRBMEU-CHWSQXEVSA-N 2 1 257.378 -0.637 20 0 CBADMP COCC[NH+]1CC[C@@H](NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000358119592 353627611 /nfs/dbraw/zinc/62/76/11/353627611.db2.gz OTUMBMNBRRBMEU-CHWSQXEVSA-N 2 1 257.378 -0.637 20 0 CBADMP COCC[NH+]1CC[C@@H](NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000358119592 353627613 /nfs/dbraw/zinc/62/76/13/353627613.db2.gz OTUMBMNBRRBMEU-CHWSQXEVSA-N 2 1 257.378 -0.637 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358504444 353648278 /nfs/dbraw/zinc/64/82/78/353648278.db2.gz ROESMUNFMNSARP-CMPLNLGQSA-N 2 1 258.366 -0.698 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357916903 353614282 /nfs/dbraw/zinc/61/42/82/353614282.db2.gz IGHLPHANNUMEDP-ADEWGFFLSA-N 2 1 266.345 -0.333 20 0 CBADMP Cc1cccc(NCCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[nH+]1 ZINC000357930599 353615453 /nfs/dbraw/zinc/61/54/53/353615453.db2.gz OLXHFESIPCBIGH-GHMZBOCLSA-N 2 1 264.329 -0.359 20 0 CBADMP O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)[C@@H]1COCC[NH2+]1 ZINC000361077696 353660257 /nfs/dbraw/zinc/66/02/57/353660257.db2.gz CUUFVRLEUJZBQT-UTUOFQBUSA-N 2 1 253.346 -0.521 20 0 CBADMP O[C@@H]1COC[C@@H]1[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000361301484 353660453 /nfs/dbraw/zinc/66/04/53/353660453.db2.gz WYRUTDUEDLUBAY-HZSPNIEDSA-N 2 1 270.373 -0.210 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000361710740 353663137 /nfs/dbraw/zinc/66/31/37/353663137.db2.gz LYIKCFLSELIPDW-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)CC[NH3+])CC2)C1 ZINC000361711930 353663452 /nfs/dbraw/zinc/66/34/52/353663452.db2.gz XCZYVUIPHFTQEZ-GFCCVEGCSA-N 2 1 254.378 -0.426 20 0 CBADMP O=C(CN1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC1CC1 ZINC000362828237 353668424 /nfs/dbraw/zinc/66/84/24/353668424.db2.gz CMCDCYGHIDCPEB-LBPRGKRZSA-N 2 1 280.372 -0.839 20 0 CBADMP O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)C1C[NH2+]C1 ZINC000367831408 353683380 /nfs/dbraw/zinc/68/33/80/353683380.db2.gz LDAMMTBOWWIFMX-RYUDHWBXSA-N 2 1 253.346 -0.425 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)C1C[NH2+]C1 ZINC000367831408 353683382 /nfs/dbraw/zinc/68/33/82/353683382.db2.gz LDAMMTBOWWIFMX-RYUDHWBXSA-N 2 1 253.346 -0.425 20 0 CBADMP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)C1C[NH2+]C1 ZINC000367831407 353683397 /nfs/dbraw/zinc/68/33/97/353683397.db2.gz LDAMMTBOWWIFMX-NWDGAFQWSA-N 2 1 253.346 -0.425 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)C1C[NH2+]C1 ZINC000367831407 353683400 /nfs/dbraw/zinc/68/34/00/353683400.db2.gz LDAMMTBOWWIFMX-NWDGAFQWSA-N 2 1 253.346 -0.425 20 0 CBADMP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000368451384 353685532 /nfs/dbraw/zinc/68/55/32/353685532.db2.gz RVWODOQFMULFMZ-ZIAGYGMSSA-N 2 1 280.416 -0.118 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C1CC1 ZINC000371345852 353700672 /nfs/dbraw/zinc/70/06/72/353700672.db2.gz SUTVTFACFARAFZ-AWEZNQCLSA-N 2 1 280.416 -0.023 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372099493 353710348 /nfs/dbraw/zinc/71/03/48/353710348.db2.gz VKBWZYQPAFVEBW-XQQFMLRXSA-N 2 1 283.372 -0.968 20 0 CBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C3([NH3+])CC3)CC2)C1 ZINC000372099321 353710785 /nfs/dbraw/zinc/71/07/85/353710785.db2.gz SYOFMWSARARNFY-LBPRGKRZSA-N 2 1 266.389 -0.284 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372098603 353710825 /nfs/dbraw/zinc/71/08/25/353710825.db2.gz LSXKJABSBXUBMU-OLZOCXBDSA-N 2 1 285.388 -0.720 20 0 CBADMP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370567 353715574 /nfs/dbraw/zinc/71/55/74/353715574.db2.gz RHZAOOBIHCVSNX-WCQYABFASA-N 2 1 268.405 -0.040 20 0 CBADMP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370567 353715576 /nfs/dbraw/zinc/71/55/76/353715576.db2.gz RHZAOOBIHCVSNX-WCQYABFASA-N 2 1 268.405 -0.040 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372399634 353716341 /nfs/dbraw/zinc/71/63/41/353716341.db2.gz QQHFCXXCKJCPEO-KBPBESRZSA-N 2 1 298.431 -0.508 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000372505865 353717716 /nfs/dbraw/zinc/71/77/16/353717716.db2.gz NEJOWYJTWXIPQL-OUCADQQQSA-N 2 1 267.373 -0.177 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372914854 353724425 /nfs/dbraw/zinc/72/44/25/353724425.db2.gz YCGVRGSVGDZQPQ-SDDRHHMPSA-N 2 1 255.362 -0.300 20 0 CBADMP C[NH+]1CCN(C(=O)CN2CCC[C@]3(CNC(=O)O3)C2)CC1 ZINC000375568639 353763625 /nfs/dbraw/zinc/76/36/25/353763625.db2.gz DTKUFIKPNNCSCM-AWEZNQCLSA-N 2 1 296.371 -0.665 20 0 CBADMP C[C@H](O)COC(=O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000375627729 353764852 /nfs/dbraw/zinc/76/48/52/353764852.db2.gz KKYQIMXYSNEXOT-SDDRHHMPSA-N 2 1 256.346 -0.206 20 0 CBADMP C[C@H](O)COC(=O)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000375627729 353764857 /nfs/dbraw/zinc/76/48/57/353764857.db2.gz KKYQIMXYSNEXOT-SDDRHHMPSA-N 2 1 256.346 -0.206 20 0 CBADMP C[C@H](O)COC(=O)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000375627729 353764861 /nfs/dbraw/zinc/76/48/61/353764861.db2.gz KKYQIMXYSNEXOT-SDDRHHMPSA-N 2 1 256.346 -0.206 20 0 CBADMP C[C@H](O)COC(=O)CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000375627729 353764865 /nfs/dbraw/zinc/76/48/65/353764865.db2.gz KKYQIMXYSNEXOT-SDDRHHMPSA-N 2 1 256.346 -0.206 20 0 CBADMP C[C@H](C[NH3+])C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000375833455 353768279 /nfs/dbraw/zinc/76/82/79/353768279.db2.gz ICYKSWDUGIZZHD-OLZOCXBDSA-N 2 1 268.405 -0.180 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@H]1C ZINC000375912353 353768783 /nfs/dbraw/zinc/76/87/83/353768783.db2.gz OULONCZEJHNLDT-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000375986492 353770696 /nfs/dbraw/zinc/77/06/96/353770696.db2.gz DXSXNHDJEUSZIX-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)O1 ZINC000374519083 353746406 /nfs/dbraw/zinc/74/64/06/353746406.db2.gz IWZGXMMTSFMZKA-RQJABVFESA-N 2 1 297.399 -0.450 20 0 CBADMP CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@H](C)[NH3+] ZINC000399553959 353797813 /nfs/dbraw/zinc/79/78/13/353797813.db2.gz DHOSCXWFYDIVCR-AVGNSLFASA-N 2 1 270.421 -0.032 20 0 CBADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400165390 353799457 /nfs/dbraw/zinc/79/94/57/353799457.db2.gz IWHZRWFOSPKDOV-WOPDTQHZSA-N 2 1 275.418 -0.050 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400165390 353799459 /nfs/dbraw/zinc/79/94/59/353799459.db2.gz IWHZRWFOSPKDOV-WOPDTQHZSA-N 2 1 275.418 -0.050 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(NC(N)=O)CC2)CC1 ZINC000407984532 353817454 /nfs/dbraw/zinc/81/74/54/353817454.db2.gz ZAHIICUSZCYQEI-UHFFFAOYSA-N 2 1 297.403 -0.717 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](C)[C@H](C(N)=O)C2)CC1 ZINC000408047732 353837248 /nfs/dbraw/zinc/83/72/48/353837248.db2.gz INPJRRUUTHRCPV-JHJVBQTASA-N 2 1 296.415 -0.408 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](C)[C@H](C(N)=O)C2)CC1 ZINC000408047732 353837250 /nfs/dbraw/zinc/83/72/50/353837250.db2.gz INPJRRUUTHRCPV-JHJVBQTASA-N 2 1 296.415 -0.408 20 0 CBADMP CN(C)C(=O)CCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000390236934 353791235 /nfs/dbraw/zinc/79/12/35/353791235.db2.gz IXVRIMWIOCLRAG-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP CN(C)C(=O)CCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000390236934 353791237 /nfs/dbraw/zinc/79/12/37/353791237.db2.gz IXVRIMWIOCLRAG-GFCCVEGCSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH3+])[C@H](C)C1 ZINC000418423180 353996618 /nfs/dbraw/zinc/99/66/18/353996618.db2.gz FKHOWHZPXXWUMB-GHMZBOCLSA-N 2 1 272.393 -0.180 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000416310065 353968266 /nfs/dbraw/zinc/96/82/66/353968266.db2.gz YKQSJEUKKUZNNE-LBPRGKRZSA-N 2 1 266.389 -0.413 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000418416689 353996831 /nfs/dbraw/zinc/99/68/31/353996831.db2.gz VVVRKLQCYKBQJQ-NEPJUHHUSA-N 2 1 272.393 -0.322 20 0 CBADMP C[NH2+]CCNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000416868679 353973818 /nfs/dbraw/zinc/97/38/18/353973818.db2.gz MERQUUBOUOFQPX-GFCCVEGCSA-N 2 1 272.393 -0.138 20 0 CBADMP C[C@@H]1CN(C(=O)NCC(C)(C)[NH3+])C[C@H](C)[N@@H+]1CCO ZINC000418414155 353997056 /nfs/dbraw/zinc/99/70/56/353997056.db2.gz KYGLJJBVXDMMLV-PHIMTYICSA-N 2 1 272.393 -0.180 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)NCCC[N@@H+](C)CCOC ZINC000417095626 353976741 /nfs/dbraw/zinc/97/67/41/353976741.db2.gz UJIPHNQSROAFHY-NSHDSACASA-N 2 1 260.382 -0.009 20 0 CBADMP COCC[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000418397811 353997134 /nfs/dbraw/zinc/99/71/34/353997134.db2.gz JYMVDCJBTWJLFU-LBPRGKRZSA-N 2 1 270.377 -0.303 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)NCC[N@@H+](C)CCOC ZINC000417437109 353977841 /nfs/dbraw/zinc/97/78/41/353977841.db2.gz GMHMSVAOJHZXQR-LLVKDONJSA-N 2 1 260.382 -0.281 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000417442175 353977949 /nfs/dbraw/zinc/97/79/49/353977949.db2.gz SPKYERWKECOAFD-VXGBXAGGSA-N 2 1 272.393 -0.138 20 0 CBADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000418394631 353997208 /nfs/dbraw/zinc/99/72/08/353997208.db2.gz XZXYBNIDJCEECI-VXGBXAGGSA-N 2 1 284.404 -0.165 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000417713627 353981889 /nfs/dbraw/zinc/98/18/89/353981889.db2.gz GRMBXTPHLWXAEX-NEPJUHHUSA-N 2 1 272.393 -0.009 20 0 CBADMP C[C@H](CNC(=O)N[C@H](C[NH3+])C1CC1)C[NH+]1CCOCC1 ZINC000417735283 353981988 /nfs/dbraw/zinc/98/19/88/353981988.db2.gz VQRYVACRMQKADA-DGCLKSJQSA-N 2 1 284.404 -0.009 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000417719198 353982135 /nfs/dbraw/zinc/98/21/35/353982135.db2.gz WOMUNCCWCCVHEZ-NSHDSACASA-N 2 1 256.350 -0.678 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000417708044 353982392 /nfs/dbraw/zinc/98/23/92/353982392.db2.gz OABWALLSQQSSGL-NEPJUHHUSA-N 2 1 272.393 -0.138 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417756110 353982915 /nfs/dbraw/zinc/98/29/15/353982915.db2.gz RRTPJHFQSAAGCY-GFCCVEGCSA-N 2 1 272.393 -0.009 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)NCC(C)(C)[NH3+] ZINC000417742451 353983052 /nfs/dbraw/zinc/98/30/52/353983052.db2.gz BCOXYBIMBMBRIA-UHFFFAOYSA-N 2 1 260.382 -0.009 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)CCC[N@H+]1C ZINC000418008757 353986554 /nfs/dbraw/zinc/98/65/54/353986554.db2.gz SROOCKPWBCQLMI-UPJWGTAASA-N 2 1 283.420 -0.328 20 0 CBADMP C[C@H]1[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCC[N@H+]1C ZINC000418011594 353986731 /nfs/dbraw/zinc/98/67/31/353986731.db2.gz XBRSGUVTBIJWPY-BJDJZHNGSA-N 2 1 270.377 -0.557 20 0 CBADMP [NH3+]CCNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000418292587 353991067 /nfs/dbraw/zinc/99/10/67/353991067.db2.gz CVISOGKWUSZJAB-CQSZACIVSA-N 2 1 292.383 -0.337 20 0 CBADMP CC[NH2+]CCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000418319555 353992757 /nfs/dbraw/zinc/99/27/57/353992757.db2.gz BVTJQMSTDYRHPO-NEPJUHHUSA-N 2 1 272.393 -0.308 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCCC[NH3+])[C@H](C)C1 ZINC000418319369 353992938 /nfs/dbraw/zinc/99/29/38/353992938.db2.gz ATHOGKGAKBIABT-LLVKDONJSA-N 2 1 286.376 -0.386 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)NCCC[NH3+])[C@H](C)C1 ZINC000418319369 353992940 /nfs/dbraw/zinc/99/29/40/353992940.db2.gz ATHOGKGAKBIABT-LLVKDONJSA-N 2 1 286.376 -0.386 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)NCCC[NH2+]C)CC1 ZINC000418311989 353992981 /nfs/dbraw/zinc/99/29/81/353992981.db2.gz SIKRUODJZDTUND-UHFFFAOYSA-N 2 1 272.393 -0.040 20 0 CBADMP CCCC[C@@H](C[NH3+])NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000418470014 353997792 /nfs/dbraw/zinc/99/77/92/353997792.db2.gz QFZSHVYKFSADPJ-WCQYABFASA-N 2 1 272.393 -0.130 20 0 CBADMP C[NH2+]CCNC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000418334107 353993826 /nfs/dbraw/zinc/99/38/26/353993826.db2.gz SXQNQVMGPIOTAP-UHFFFAOYSA-N 2 1 272.393 -0.042 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000418361137 353994739 /nfs/dbraw/zinc/99/47/39/353994739.db2.gz GSYFTMBIIBOQQC-STQMWFEESA-N 2 1 284.404 -0.116 20 0 CBADMP O=C(NC[C@H]1CCC[NH2+]1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418355360 353994839 /nfs/dbraw/zinc/99/48/39/353994839.db2.gz BJHISNWYMNZQRC-CHWSQXEVSA-N 2 1 284.404 -0.116 20 0 CBADMP CCN1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@@H](C)C1=O ZINC000414743810 353963034 /nfs/dbraw/zinc/96/30/34/353963034.db2.gz PAVZEAOSJUNLBS-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CCN1CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@@H](C)C1=O ZINC000414743810 353963038 /nfs/dbraw/zinc/96/30/38/353963038.db2.gz PAVZEAOSJUNLBS-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000418500837 353999063 /nfs/dbraw/zinc/99/90/63/353999063.db2.gz ZOWNRUUIOUHKDA-UTUOFQBUSA-N 2 1 272.393 -0.322 20 0 CBADMP COCC[NH2+]CCNC(=O)N1CC[NH+](CCOC)CC1 ZINC000418510429 353999794 /nfs/dbraw/zinc/99/97/94/353999794.db2.gz PWTSHWMFIAUGKY-UHFFFAOYSA-N 2 1 288.392 -0.804 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](C)C[NH3+])[C@H](C)C1 ZINC000418510047 354000297 /nfs/dbraw/zinc/00/02/97/354000297.db2.gz BVJBJCQFFLWQSI-GHMZBOCLSA-N 2 1 286.376 -0.388 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](C)C[NH3+])[C@H](C)C1 ZINC000418510047 354000301 /nfs/dbraw/zinc/00/03/01/354000301.db2.gz BVJBJCQFFLWQSI-GHMZBOCLSA-N 2 1 286.376 -0.388 20 0 CBADMP COCC[NH+]1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000418518587 354000805 /nfs/dbraw/zinc/00/08/05/354000805.db2.gz LZUAVRIBVQZSIC-UHFFFAOYSA-N 2 1 270.377 -0.159 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000418514535 354001182 /nfs/dbraw/zinc/00/11/82/354001182.db2.gz ARJSOQZLYBWCDG-NWDGAFQWSA-N 2 1 272.393 -0.130 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418520526 354001552 /nfs/dbraw/zinc/00/15/52/354001552.db2.gz PMWDXKTVBINASH-UHFFFAOYSA-N 2 1 286.420 -0.011 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000418514537 354001639 /nfs/dbraw/zinc/00/16/39/354001639.db2.gz ARJSOQZLYBWCDG-VXGBXAGGSA-N 2 1 272.393 -0.130 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)N1CC[NH+](CCOC)CC1 ZINC000418595590 354003716 /nfs/dbraw/zinc/00/37/16/354003716.db2.gz AWCLRXYBNAAIHY-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC1(CNC(=O)N2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000418635813 354004518 /nfs/dbraw/zinc/00/45/18/354004518.db2.gz FTEWJYJBYBGJGC-UHFFFAOYSA-N 2 1 284.404 -0.040 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000418732230 354005688 /nfs/dbraw/zinc/00/56/88/354005688.db2.gz QNMVVBPTVSQDLR-VXGBXAGGSA-N 2 1 272.393 -0.130 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418739581 354006456 /nfs/dbraw/zinc/00/64/56/354006456.db2.gz YVKHRASHYCCQIO-RYUDHWBXSA-N 2 1 272.393 -0.130 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418751924 354007226 /nfs/dbraw/zinc/00/72/26/354007226.db2.gz FZZRSBZZKGPMRW-JTQLQIEISA-N 2 1 294.346 -0.403 20 0 CBADMP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)C[C@H](C)[N@@H+]1C ZINC000418773289 354008812 /nfs/dbraw/zinc/00/88/12/354008812.db2.gz UFENBYPOGOORKS-GRYCIOLGSA-N 2 1 270.377 -0.291 20 0 CBADMP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)C[C@H](C)[N@@H+]1C ZINC000418773290 354008937 /nfs/dbraw/zinc/00/89/37/354008937.db2.gz UFENBYPOGOORKS-TUAOUCFPSA-N 2 1 270.377 -0.291 20 0 CBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])c1ccco1 ZINC000418833798 354011365 /nfs/dbraw/zinc/01/13/65/354011365.db2.gz NSGNHYIYMZUWLI-JTQLQIEISA-N 2 1 296.371 -0.148 20 0 CBADMP [NH3+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418864416 354013309 /nfs/dbraw/zinc/01/33/09/354013309.db2.gz QMCGMKOCJOBTMJ-CYBMUJFWSA-N 2 1 290.367 -0.548 20 0 CBADMP 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 354016589 /nfs/dbraw/zinc/01/65/89/354016589.db2.gz CISKPIMCISBIKW-YVECIDJPSA-N 2 1 296.415 -0.206 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000418972172 354018605 /nfs/dbraw/zinc/01/86/05/354018605.db2.gz YHAUDGGSHAXLCI-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC000418991436 354019905 /nfs/dbraw/zinc/01/99/05/354019905.db2.gz XSODMFFYCCKYEX-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000419024278 354023544 /nfs/dbraw/zinc/02/35/44/354023544.db2.gz FIXUCTNBZPSKQU-GFCCVEGCSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000419021376 354023957 /nfs/dbraw/zinc/02/39/57/354023957.db2.gz GZWPTELUEWBBJI-UPJWGTAASA-N 2 1 298.431 -0.066 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000419024280 354024122 /nfs/dbraw/zinc/02/41/22/354024122.db2.gz FIXUCTNBZPSKQU-LBPRGKRZSA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000419018331 354024353 /nfs/dbraw/zinc/02/43/53/354024353.db2.gz BWAHTNZIJWFIKK-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419020840 354024387 /nfs/dbraw/zinc/02/43/87/354024387.db2.gz GETPWUUZGUZQNH-XQQFMLRXSA-N 2 1 298.431 -0.195 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000419033211 354026572 /nfs/dbraw/zinc/02/65/72/354026572.db2.gz YFEPTQHKKQZHIT-RYUDHWBXSA-N 2 1 284.404 -0.441 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCC[NH3+] ZINC000419081177 354027264 /nfs/dbraw/zinc/02/72/64/354027264.db2.gz RCLCQOURPPXOGT-GFCCVEGCSA-N 2 1 284.404 -0.168 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)CC[NH3+] ZINC000419079959 354027462 /nfs/dbraw/zinc/02/74/62/354027462.db2.gz NXKZOLMPBLIURZ-LBPRGKRZSA-N 2 1 284.404 -0.216 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000419100693 354028585 /nfs/dbraw/zinc/02/85/85/354028585.db2.gz JEJTVSHUFSUVIU-WCQYABFASA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC[NH2+]1 ZINC000419109714 354028660 /nfs/dbraw/zinc/02/86/60/354028660.db2.gz RSCBTRIGOPDMJK-JTQLQIEISA-N 2 1 268.361 -0.983 20 0 CBADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419111293 354028840 /nfs/dbraw/zinc/02/88/40/354028840.db2.gz UFFJGWHWHWQXTC-CYBMUJFWSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])C1 ZINC000419150214 354032222 /nfs/dbraw/zinc/03/22/22/354032222.db2.gz KYBUXMJTZXKWKP-CHWSQXEVSA-N 2 1 298.431 -0.066 20 0 CBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419158836 354034546 /nfs/dbraw/zinc/03/45/46/354034546.db2.gz YLGRRQYOHBCJSG-DGCLKSJQSA-N 2 1 294.399 -0.450 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000419217999 354037084 /nfs/dbraw/zinc/03/70/84/354037084.db2.gz FIQARXFNGWXVLE-LLVKDONJSA-N 2 1 268.361 -0.782 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419220804 354038250 /nfs/dbraw/zinc/03/82/50/354038250.db2.gz JEAYWVQKRNSVFS-LBPRGKRZSA-N 2 1 280.372 -0.767 20 0 CBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000419222873 354038602 /nfs/dbraw/zinc/03/86/02/354038602.db2.gz LEWKHXSAUUGSLW-UHFFFAOYSA-N 2 1 268.361 -0.828 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419226535 354038921 /nfs/dbraw/zinc/03/89/21/354038921.db2.gz JEMFQOPVMOWROA-AAEUAGOBSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419226536 354039197 /nfs/dbraw/zinc/03/91/97/354039197.db2.gz JEMFQOPVMOWROA-DGCLKSJQSA-N 2 1 296.415 -0.170 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000419576281 354062338 /nfs/dbraw/zinc/06/23/38/354062338.db2.gz BULQLUPYVYIBNR-LLVKDONJSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)CCC[N@H+]1C ZINC000419564096 354062425 /nfs/dbraw/zinc/06/24/25/354062425.db2.gz WZEUMCBEOKUEOW-DGCLKSJQSA-N 2 1 296.415 -0.156 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[N@@H+](C)C1CC1 ZINC000419575832 354062629 /nfs/dbraw/zinc/06/26/29/354062629.db2.gz BIBDOZGCVAPNHK-JOYOIKCWSA-N 2 1 282.388 -0.561 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419565210 354062687 /nfs/dbraw/zinc/06/26/87/354062687.db2.gz YMRBULDTSOWGND-GMTAPVOTSA-N 2 1 270.377 -0.691 20 0 CBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000419581580 354063534 /nfs/dbraw/zinc/06/35/34/354063534.db2.gz INYWJVSCFRZQSZ-GHMZBOCLSA-N 2 1 282.388 -0.547 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000419585695 354063655 /nfs/dbraw/zinc/06/36/55/354063655.db2.gz MAGXQZCAZKGGNK-MNOVXSKESA-N 2 1 284.404 -0.443 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000419581005 354064243 /nfs/dbraw/zinc/06/42/43/354064243.db2.gz ICPIGZDVFBICCW-MNOVXSKESA-N 2 1 284.404 -0.301 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000419581499 354064247 /nfs/dbraw/zinc/06/42/47/354064247.db2.gz IIDNOYPUBZVXRR-NEPJUHHUSA-N 2 1 296.415 -0.156 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[NH3+] ZINC000419587612 354064754 /nfs/dbraw/zinc/06/47/54/354064754.db2.gz NPWFPHAJJVTZLQ-NSHDSACASA-N 2 1 270.377 -0.606 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000419588508 354064790 /nfs/dbraw/zinc/06/47/90/354064790.db2.gz OJJJGSYZXKTNMD-NQBHXWOUSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000419588513 354064969 /nfs/dbraw/zinc/06/49/69/354064969.db2.gz OJJJGSYZXKTNMD-WZRBSPASSA-N 2 1 296.415 -0.301 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419587177 354065097 /nfs/dbraw/zinc/06/50/97/354065097.db2.gz NMKOPTHZAWGCKI-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@@H+](C)C1CC1 ZINC000419590349 354065271 /nfs/dbraw/zinc/06/52/71/354065271.db2.gz QAHAPYPCGMOVJX-LOWVWBTDSA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000419588506 354065440 /nfs/dbraw/zinc/06/54/40/354065440.db2.gz OJJJGSYZXKTNMD-MDZLAQPJSA-N 2 1 296.415 -0.301 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419597246 354065508 /nfs/dbraw/zinc/06/55/08/354065508.db2.gz ZWNCMBDOCKBIIB-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419689196 354070244 /nfs/dbraw/zinc/07/02/44/354070244.db2.gz ACZVNMSKRSNIIM-RYUDHWBXSA-N 2 1 296.415 -0.156 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C1CCCC1 ZINC000419694766 354070500 /nfs/dbraw/zinc/07/05/00/354070500.db2.gz LIZSSPYOCVDHQK-ZDUSSCGKSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419700072 354071089 /nfs/dbraw/zinc/07/10/89/354071089.db2.gz WYRNGJCJLRTULO-VXGBXAGGSA-N 2 1 296.415 -0.027 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000419883331 354088891 /nfs/dbraw/zinc/08/88/91/354088891.db2.gz MWJJPCOUFHHCEY-UPJWGTAASA-N 2 1 296.415 -0.299 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419735434 354073751 /nfs/dbraw/zinc/07/37/51/354073751.db2.gz QMNLGWPZFRJDFO-CYBMUJFWSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419736764 354073890 /nfs/dbraw/zinc/07/38/90/354073890.db2.gz SDMHZDRDLULJMR-YPMHNXCESA-N 2 1 296.415 -0.170 20 0 CBADMP [NH3+]CCCNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419732418 354074087 /nfs/dbraw/zinc/07/40/87/354074087.db2.gz MNHJOGDFWYIBAI-GFCCVEGCSA-N 2 1 282.388 -0.416 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419763989 354075612 /nfs/dbraw/zinc/07/56/12/354075612.db2.gz OVCWZTBUEJZSLR-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419766546 354075692 /nfs/dbraw/zinc/07/56/92/354075692.db2.gz RMTGJLSAXUNMAS-QWHCGFSZSA-N 2 1 298.431 -0.051 20 0 CBADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCC[NH3+] ZINC000419785004 354077756 /nfs/dbraw/zinc/07/77/56/354077756.db2.gz XUFKLBMNWOFVCH-LLVKDONJSA-N 2 1 284.404 -0.312 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000419845487 354083900 /nfs/dbraw/zinc/08/39/00/354083900.db2.gz NWPAATKJAGKZLW-GFCCVEGCSA-N 2 1 284.404 -0.489 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000419845487 354083901 /nfs/dbraw/zinc/08/39/01/354083901.db2.gz NWPAATKJAGKZLW-GFCCVEGCSA-N 2 1 284.404 -0.489 20 0 CBADMP [NH3+][C@H](CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)C1CC1 ZINC000419857145 354085495 /nfs/dbraw/zinc/08/54/95/354085495.db2.gz GBBOHPUWIXKAFR-CYBMUJFWSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419857065 354085782 /nfs/dbraw/zinc/08/57/82/354085782.db2.gz UEFLAQQLSGVRDT-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419860076 354086464 /nfs/dbraw/zinc/08/64/64/354086464.db2.gz KKCAWELPLWMTNB-CYBMUJFWSA-N 2 1 296.415 -0.217 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC[NH2+]C ZINC000419287373 354044634 /nfs/dbraw/zinc/04/46/34/354044634.db2.gz PXBSXEQUGHDANM-UHFFFAOYSA-N 2 1 258.366 -0.830 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000419304108 354045757 /nfs/dbraw/zinc/04/57/57/354045757.db2.gz UGTZBRQIRULBFH-WDEREUQCSA-N 2 1 293.371 -0.483 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000419319116 354045764 /nfs/dbraw/zinc/04/57/64/354045764.db2.gz OKGBFKJCZLYAQB-GRYCIOLGSA-N 2 1 294.399 -0.404 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000419316849 354045870 /nfs/dbraw/zinc/04/58/70/354045870.db2.gz LXEHMBMZEJJGSG-RYUDHWBXSA-N 2 1 296.415 -0.156 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419304104 354046193 /nfs/dbraw/zinc/04/61/93/354046193.db2.gz UGTZBRQIRULBFH-GHMZBOCLSA-N 2 1 293.371 -0.483 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419304105 354046221 /nfs/dbraw/zinc/04/62/21/354046221.db2.gz UGTZBRQIRULBFH-MNOVXSKESA-N 2 1 293.371 -0.483 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000419338384 354046917 /nfs/dbraw/zinc/04/69/17/354046917.db2.gz SJKQQXVSBRGNNX-JQWIXIFHSA-N 2 1 282.388 -0.689 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000419340847 354046980 /nfs/dbraw/zinc/04/69/80/354046980.db2.gz XOBYDFUOIPDBHC-UHTWSYAYSA-N 2 1 296.415 -0.315 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419431253 354054701 /nfs/dbraw/zinc/05/47/01/354054701.db2.gz WYMYWCAGPIMEGW-XQQFMLRXSA-N 2 1 298.431 -0.066 20 0 CBADMP C[NH2+]CCNC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000419476180 354055063 /nfs/dbraw/zinc/05/50/63/354055063.db2.gz FYBPTUZPHLJFJI-ZDUSSCGKSA-N 2 1 298.431 -0.050 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCC[NH3+] ZINC000419523000 354057790 /nfs/dbraw/zinc/05/77/90/354057790.db2.gz NNXVCSSHCOMUBL-SNVBAGLBSA-N 2 1 258.366 -0.702 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419526948 354058010 /nfs/dbraw/zinc/05/80/10/354058010.db2.gz ULWZHARJWQWGHU-GHMZBOCLSA-N 2 1 272.393 -0.362 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)C1CC1 ZINC000419530286 354058023 /nfs/dbraw/zinc/05/80/23/354058023.db2.gz YUKSZGWZPOYHBW-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419527016 354058765 /nfs/dbraw/zinc/05/87/65/354058765.db2.gz URIARJDIFFLSSE-STQMWFEESA-N 2 1 298.431 -0.051 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000419526167 354058786 /nfs/dbraw/zinc/05/87/86/354058786.db2.gz SRRRSLZZUVMEHV-LLVKDONJSA-N 2 1 272.393 -0.441 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419540113 354059431 /nfs/dbraw/zinc/05/94/31/354059431.db2.gz BXOJFDOXNDVCDO-MNOVXSKESA-N 2 1 270.377 -0.689 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)C[C@H](C)[NH2+]1 ZINC000419538603 354059586 /nfs/dbraw/zinc/05/95/86/354059586.db2.gz ADZFHLSGZASMAZ-QNWHQSFQSA-N 2 1 296.415 -0.206 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000419540114 354059606 /nfs/dbraw/zinc/05/96/06/354059606.db2.gz BXOJFDOXNDVCDO-QWRGUYRKSA-N 2 1 270.377 -0.689 20 0 CBADMP CC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000419878665 354087692 /nfs/dbraw/zinc/08/76/92/354087692.db2.gz SJFWBAVKYWAECJ-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCC[N@H+]1C ZINC000419542359 354060626 /nfs/dbraw/zinc/06/06/26/354060626.db2.gz FJPSPHNNGNKUFQ-GRYCIOLGSA-N 2 1 282.388 -0.547 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)CCC[N@H+]1C ZINC000419560743 354061350 /nfs/dbraw/zinc/06/13/50/354061350.db2.gz RODYEQDMKWAUSG-QWRGUYRKSA-N 2 1 268.361 -0.983 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000419883328 354089028 /nfs/dbraw/zinc/08/90/28/354089028.db2.gz MWJJPCOUFHHCEY-AGIUHOORSA-N 2 1 296.415 -0.299 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000419883330 354089209 /nfs/dbraw/zinc/08/92/09/354089209.db2.gz MWJJPCOUFHHCEY-JHJVBQTASA-N 2 1 296.415 -0.299 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000419893475 354090638 /nfs/dbraw/zinc/09/06/38/354090638.db2.gz VNAMQLIKFBFFGC-WOPDTQHZSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000419893475 354090639 /nfs/dbraw/zinc/09/06/39/354090639.db2.gz VNAMQLIKFBFFGC-WOPDTQHZSA-N 2 1 282.388 -0.594 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000419898094 354091937 /nfs/dbraw/zinc/09/19/37/354091937.db2.gz ASKNBIOWKHNKMD-UHFFFAOYSA-N 2 1 296.415 -0.201 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000419909105 354092675 /nfs/dbraw/zinc/09/26/75/354092675.db2.gz KMAVZXSPMMMDHP-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000419914846 354093445 /nfs/dbraw/zinc/09/34/45/354093445.db2.gz UGJBUDPSEMYJRL-LBPRGKRZSA-N 2 1 294.399 -0.449 20 0 CBADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000419937598 354094626 /nfs/dbraw/zinc/09/46/26/354094626.db2.gz WACNJPHKMJDJDU-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000419949434 354095383 /nfs/dbraw/zinc/09/53/83/354095383.db2.gz LGFSHFDELOCKSA-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH2+]C)C(C)C ZINC000419949854 354096412 /nfs/dbraw/zinc/09/64/12/354096412.db2.gz LQXPOBJZDUPRGD-GFCCVEGCSA-N 2 1 286.420 -0.195 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000419951645 354096447 /nfs/dbraw/zinc/09/64/47/354096447.db2.gz IZDUUZZFFZQDDJ-NSHDSACASA-N 2 1 282.388 -0.606 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419949625 354096683 /nfs/dbraw/zinc/09/66/83/354096683.db2.gz LLQJFFOYWFIKIP-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000419961056 354097237 /nfs/dbraw/zinc/09/72/37/354097237.db2.gz SWNQKVUGBKXCLP-YNEHKIRRSA-N 2 1 298.431 -0.066 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419959616 354097457 /nfs/dbraw/zinc/09/74/57/354097457.db2.gz RGSUBPQHSMWFSZ-NWDGAFQWSA-N 2 1 284.404 -0.504 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419959616 354097460 /nfs/dbraw/zinc/09/74/60/354097460.db2.gz RGSUBPQHSMWFSZ-NWDGAFQWSA-N 2 1 284.404 -0.504 20 0 CBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000419981322 354099397 /nfs/dbraw/zinc/09/93/97/354099397.db2.gz RZYNBWMXIPIIMP-VXGBXAGGSA-N 2 1 282.388 -0.735 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC[N@@H+]1C ZINC000420007149 354101961 /nfs/dbraw/zinc/10/19/61/354101961.db2.gz SBLDXFJUCVXIND-NEPJUHHUSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC[N@H+]1C ZINC000420007149 354101963 /nfs/dbraw/zinc/10/19/63/354101963.db2.gz SBLDXFJUCVXIND-NEPJUHHUSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)CC[NH3+])C[C@H]1C ZINC000420011486 354102201 /nfs/dbraw/zinc/10/22/01/354102201.db2.gz YXAFSFAJXDOMSM-UTUOFQBUSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)CC[NH3+])C[C@H]1C ZINC000420011486 354102207 /nfs/dbraw/zinc/10/22/07/354102207.db2.gz YXAFSFAJXDOMSM-UTUOFQBUSA-N 2 1 284.404 -0.219 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000420023102 354103044 /nfs/dbraw/zinc/10/30/44/354103044.db2.gz WXRJLUTVGLASFC-JTQLQIEISA-N 2 1 268.361 -0.996 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420028506 354104181 /nfs/dbraw/zinc/10/41/81/354104181.db2.gz HHHAIDAHGFLMAO-CHWSQXEVSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C[C@H]1C ZINC000420054868 354106272 /nfs/dbraw/zinc/10/62/72/354106272.db2.gz FWFDEFPRIJZWPM-NTZNESFSSA-N 2 1 296.415 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C[C@H]1C ZINC000420054868 354106273 /nfs/dbraw/zinc/10/62/73/354106273.db2.gz FWFDEFPRIJZWPM-NTZNESFSSA-N 2 1 296.415 -0.219 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420093307 354108647 /nfs/dbraw/zinc/10/86/47/354108647.db2.gz PKYFHGAVAJHKIX-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000420108593 354109333 /nfs/dbraw/zinc/10/93/33/354109333.db2.gz CRDTZNZHWKEUOA-WCQYABFASA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000420135567 354111195 /nfs/dbraw/zinc/11/11/95/354111195.db2.gz DXYPFKUVCYZCAO-JHJVBQTASA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000420142838 354111813 /nfs/dbraw/zinc/11/18/13/354111813.db2.gz KVCRIPSIWZMAQU-NEPJUHHUSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000420142838 354111816 /nfs/dbraw/zinc/11/18/16/354111816.db2.gz KVCRIPSIWZMAQU-NEPJUHHUSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+][C@@H](C)CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000420142840 354112068 /nfs/dbraw/zinc/11/20/68/354112068.db2.gz KVCRIPSIWZMAQU-RYUDHWBXSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+][C@@H](C)CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000420142840 354112072 /nfs/dbraw/zinc/11/20/72/354112072.db2.gz KVCRIPSIWZMAQU-RYUDHWBXSA-N 2 1 284.404 -0.491 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@@H+](CC)C(C)C ZINC000420175875 354116202 /nfs/dbraw/zinc/11/62/02/354116202.db2.gz VZDJFTXZEJTTLG-GFCCVEGCSA-N 2 1 286.420 -0.053 20 0 CBADMP C[C@@H](CN1CCOCC1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000420292979 354121449 /nfs/dbraw/zinc/12/14/49/354121449.db2.gz MEOVXOBRTGUSHN-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP C[C@@H](CN1CCOCC1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000420292979 354121453 /nfs/dbraw/zinc/12/14/53/354121453.db2.gz MEOVXOBRTGUSHN-ZDUSSCGKSA-N 2 1 284.404 -0.929 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000420296268 354121560 /nfs/dbraw/zinc/12/15/60/354121560.db2.gz WZSAXZIDQNYQLO-KGLIPLIRSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCN(C(=O)CCN2CC[NH2+]C[C@@](C)(F)C2)CC1 ZINC000420335141 354124560 /nfs/dbraw/zinc/12/45/60/354124560.db2.gz PGFVPQKGYJHDLR-CQSZACIVSA-N 2 1 286.395 -0.216 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CCN1CCOCC1 ZINC000420353744 354125383 /nfs/dbraw/zinc/12/53/83/354125383.db2.gz CDYVFBMKYZRLGG-UHFFFAOYSA-N 2 1 284.404 -0.928 20 0 CBADMP COC(=O)[C@@H](C)C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000420354842 354125608 /nfs/dbraw/zinc/12/56/08/354125608.db2.gz DOQHTPOMHAZCHJ-NSHDSACASA-N 2 1 271.361 -0.451 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420358920 354125917 /nfs/dbraw/zinc/12/59/17/354125917.db2.gz JUXKVTHSYMRCGW-NWDGAFQWSA-N 2 1 283.372 -0.260 20 0 CBADMP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420358920 354125918 /nfs/dbraw/zinc/12/59/18/354125918.db2.gz JUXKVTHSYMRCGW-NWDGAFQWSA-N 2 1 283.372 -0.260 20 0 CBADMP COC(=O)C[C@H](N)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000423325939 354168344 /nfs/dbraw/zinc/16/83/44/354168344.db2.gz KASVJARRUDODRW-QWRGUYRKSA-N 2 1 271.361 -0.133 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000423325939 354168353 /nfs/dbraw/zinc/16/83/53/354168353.db2.gz KASVJARRUDODRW-QWRGUYRKSA-N 2 1 271.361 -0.133 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000423340287 354169052 /nfs/dbraw/zinc/16/90/52/354169052.db2.gz VWBVCUYXVFDVPD-QWRGUYRKSA-N 2 1 271.361 -0.275 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000423340287 354169057 /nfs/dbraw/zinc/16/90/57/354169057.db2.gz VWBVCUYXVFDVPD-QWRGUYRKSA-N 2 1 271.361 -0.275 20 0 CBADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000423363875 354172803 /nfs/dbraw/zinc/17/28/03/354172803.db2.gz CBGFGJIRJUXNMT-FRRDWIJNSA-N 2 1 296.415 -0.170 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1(C)C[NH2+]C1 ZINC000423383464 354173295 /nfs/dbraw/zinc/17/32/95/354173295.db2.gz FFKDHABMTOOAQL-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)C[C@H]1C ZINC000423387482 354173430 /nfs/dbraw/zinc/17/34/30/354173430.db2.gz MYLMRMZCPWTCDE-AGIUHOORSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)C[C@H]1C ZINC000423387482 354173432 /nfs/dbraw/zinc/17/34/32/354173432.db2.gz MYLMRMZCPWTCDE-AGIUHOORSA-N 2 1 296.415 -0.252 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C[C@H]1C ZINC000423384315 354173656 /nfs/dbraw/zinc/17/36/56/354173656.db2.gz KUTQKOYLQMCRBR-AGIUHOORSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C[C@H]1C ZINC000423384315 354173658 /nfs/dbraw/zinc/17/36/58/354173658.db2.gz KUTQKOYLQMCRBR-AGIUHOORSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)C[C@@H]1C ZINC000423384318 354173715 /nfs/dbraw/zinc/17/37/15/354173715.db2.gz KUTQKOYLQMCRBR-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)C[C@@H]1C ZINC000423384318 354173717 /nfs/dbraw/zinc/17/37/17/354173717.db2.gz KUTQKOYLQMCRBR-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@H]1C ZINC000423385782 354173912 /nfs/dbraw/zinc/17/39/12/354173912.db2.gz KUMFAKAOLMTEDM-MNOVXSKESA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@H]1C ZINC000423385782 354173914 /nfs/dbraw/zinc/17/39/14/354173914.db2.gz KUMFAKAOLMTEDM-MNOVXSKESA-N 2 1 255.362 -0.491 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423398924 354174952 /nfs/dbraw/zinc/17/49/52/354174952.db2.gz UJGPCQXKOPKCMZ-JTQLQIEISA-N 2 1 259.350 -0.275 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422097843 354143336 /nfs/dbraw/zinc/14/33/36/354143336.db2.gz JEYHFGGPRFMETG-LBPRGKRZSA-N 2 1 284.404 -0.441 20 0 CBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000422263361 354145145 /nfs/dbraw/zinc/14/51/45/354145145.db2.gz SGANMVDTWAVZTN-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000422263361 354145147 /nfs/dbraw/zinc/14/51/47/354145147.db2.gz SGANMVDTWAVZTN-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000422263361 354145150 /nfs/dbraw/zinc/14/51/50/354145150.db2.gz SGANMVDTWAVZTN-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@@H](NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422709500 354151379 /nfs/dbraw/zinc/15/13/79/354151379.db2.gz DRVCTDHIQRDSBT-OLZOCXBDSA-N 2 1 268.405 -0.119 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000422706124 354151666 /nfs/dbraw/zinc/15/16/66/354151666.db2.gz DNLIBTMGJGBSFL-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000422706124 354151668 /nfs/dbraw/zinc/15/16/68/354151668.db2.gz DNLIBTMGJGBSFL-GFCCVEGCSA-N 2 1 255.362 -0.083 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000422699664 354151892 /nfs/dbraw/zinc/15/18/92/354151892.db2.gz AXUGAKVWGCWIMY-CQSZACIVSA-N 2 1 298.431 -0.493 20 0 CBADMP C[C@H](NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422709502 354151962 /nfs/dbraw/zinc/15/19/62/354151962.db2.gz DRVCTDHIQRDSBT-STQMWFEESA-N 2 1 268.405 -0.119 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000422767654 354153353 /nfs/dbraw/zinc/15/33/53/354153353.db2.gz YQCIFRYXPKUJAQ-VXGBXAGGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000422767654 354153356 /nfs/dbraw/zinc/15/33/56/354153356.db2.gz YQCIFRYXPKUJAQ-VXGBXAGGSA-N 2 1 255.362 -0.084 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000422776427 354153862 /nfs/dbraw/zinc/15/38/62/354153862.db2.gz ANPUQZQOJCUZLK-NEPJUHHUSA-N 2 1 255.362 -0.036 20 0 CBADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000422967152 354158385 /nfs/dbraw/zinc/15/83/85/354158385.db2.gz BHYADEDZLQIFOE-SECBINFHSA-N 2 1 292.330 -0.751 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000422967152 354158387 /nfs/dbraw/zinc/15/83/87/354158387.db2.gz BHYADEDZLQIFOE-SECBINFHSA-N 2 1 292.330 -0.751 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422967525 354158767 /nfs/dbraw/zinc/15/87/67/354158767.db2.gz CDENVJVSHZREIT-VXGBXAGGSA-N 2 1 284.404 -0.347 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422972968 354158830 /nfs/dbraw/zinc/15/88/30/354158830.db2.gz NGEVKSJNIYEGLK-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423121210 354162724 /nfs/dbraw/zinc/16/27/24/354162724.db2.gz IGIFVNYRYFPJNB-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423121207 354162726 /nfs/dbraw/zinc/16/27/26/354162726.db2.gz IGIFVNYRYFPJNB-CHWSQXEVSA-N 2 1 296.415 -0.264 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423516921 354178864 /nfs/dbraw/zinc/17/88/64/354178864.db2.gz HHCPGLZRQIGKIU-LLVKDONJSA-N 2 1 282.388 -0.511 20 0 CBADMP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000423589857 354181676 /nfs/dbraw/zinc/18/16/76/354181676.db2.gz IFQGEMAHCSHWQZ-ZDUSSCGKSA-N 2 1 298.431 -0.005 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000423586709 354181724 /nfs/dbraw/zinc/18/17/24/354181724.db2.gz DXMRRHRFWHQIBI-OLZOCXBDSA-N 2 1 296.415 -0.252 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000423596576 354182561 /nfs/dbraw/zinc/18/25/61/354182561.db2.gz RXQKVYJDEFZCKH-LBPRGKRZSA-N 2 1 282.388 -0.641 20 0 CBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423596461 354182595 /nfs/dbraw/zinc/18/25/95/354182595.db2.gz RVDSYFHLZVEENB-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423597431 354182931 /nfs/dbraw/zinc/18/29/31/354182931.db2.gz UCDRWUYNPZSSBN-QWHCGFSZSA-N 2 1 296.415 -0.252 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)C1 ZINC000423615665 354184807 /nfs/dbraw/zinc/18/48/07/354184807.db2.gz VBKSQANWWZZWMN-LBPRGKRZSA-N 2 1 282.388 -0.641 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@H](C)[N@H+]1C ZINC000423633062 354186378 /nfs/dbraw/zinc/18/63/78/354186378.db2.gz OWCHVDJYXHEUOW-AXFHLTTASA-N 2 1 268.361 -0.903 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000423633062 354186380 /nfs/dbraw/zinc/18/63/80/354186380.db2.gz OWCHVDJYXHEUOW-AXFHLTTASA-N 2 1 268.361 -0.903 20 0 CBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423653611 354189378 /nfs/dbraw/zinc/18/93/78/354189378.db2.gz ZKCKHQIGZLWYQH-OLZOCXBDSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C1 ZINC000423666454 354189855 /nfs/dbraw/zinc/18/98/55/354189855.db2.gz LXGOAEMCSDPGPP-QNWHQSFQSA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C1 ZINC000423666454 354189859 /nfs/dbraw/zinc/18/98/59/354189859.db2.gz LXGOAEMCSDPGPP-QNWHQSFQSA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C[C@H](C)[NH2+]1 ZINC000423729715 354194926 /nfs/dbraw/zinc/19/49/26/354194926.db2.gz VHDIUFCBMIXJJJ-FRRDWIJNSA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000423753893 354197056 /nfs/dbraw/zinc/19/70/56/354197056.db2.gz YSKXZYOZOBLAKC-WISYIIOYSA-N 2 1 282.388 -0.657 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000423753893 354197058 /nfs/dbraw/zinc/19/70/58/354197058.db2.gz YSKXZYOZOBLAKC-WISYIIOYSA-N 2 1 282.388 -0.657 20 0 CBADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)CNC(=O)C[NH3+] ZINC000423764396 354198525 /nfs/dbraw/zinc/19/85/25/354198525.db2.gz SVELDWCBQKUGBO-UHFFFAOYSA-N 2 1 284.404 -0.216 20 0 CBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000423782185 354199302 /nfs/dbraw/zinc/19/93/02/354199302.db2.gz INLYXEVMQIBHBJ-NWDGAFQWSA-N 2 1 283.372 -0.308 20 0 CBADMP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000423838589 354201671 /nfs/dbraw/zinc/20/16/71/354201671.db2.gz XQZIPQHAAUGXTM-LBPRGKRZSA-N 2 1 255.362 -0.033 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000423838589 354201675 /nfs/dbraw/zinc/20/16/75/354201675.db2.gz XQZIPQHAAUGXTM-LBPRGKRZSA-N 2 1 255.362 -0.033 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423857847 354202050 /nfs/dbraw/zinc/20/20/50/354202050.db2.gz BGTGMAIXCCFBGY-NWDGAFQWSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423857847 354202053 /nfs/dbraw/zinc/20/20/53/354202053.db2.gz BGTGMAIXCCFBGY-NWDGAFQWSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000423885706 354203942 /nfs/dbraw/zinc/20/39/42/354203942.db2.gz DZLDXTUPIJOCNB-NWDGAFQWSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000423885706 354203945 /nfs/dbraw/zinc/20/39/45/354203945.db2.gz DZLDXTUPIJOCNB-NWDGAFQWSA-N 2 1 283.372 -0.308 20 0 CBADMP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000424199863 354217926 /nfs/dbraw/zinc/21/79/26/354217926.db2.gz QLHKUOUDARFOMX-HZSPNIEDSA-N 2 1 297.399 -0.280 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424168564 354213321 /nfs/dbraw/zinc/21/33/21/354213321.db2.gz GCOFRVXZMAFBOE-NEPJUHHUSA-N 2 1 254.378 -0.571 20 0 CBADMP [NH3+]CC[C@@H](NC(=O)[C@@H]1COCC[NH2+]1)C(F)(F)F ZINC000424172857 354214442 /nfs/dbraw/zinc/21/44/42/354214442.db2.gz DOZBGFAFGZNMCK-NKWVEPMBSA-N 2 1 255.240 -0.629 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000424169615 354214452 /nfs/dbraw/zinc/21/44/52/354214452.db2.gz JOKJWSAZBWUDSZ-RHYQMDGZSA-N 2 1 255.362 -0.003 20 0 CBADMP COC1(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CCOCC1 ZINC000428879606 354246630 /nfs/dbraw/zinc/24/66/30/354246630.db2.gz HURDRNFIFUNFMM-LBPRGKRZSA-N 2 1 258.362 -0.162 20 0 CBADMP COC1(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CCOCC1 ZINC000428879606 354246632 /nfs/dbraw/zinc/24/66/32/354246632.db2.gz HURDRNFIFUNFMM-LBPRGKRZSA-N 2 1 258.362 -0.162 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)COC1C[NH2+]C1 ZINC000430681680 354250461 /nfs/dbraw/zinc/25/04/61/354250461.db2.gz FLUVYCFKPZHBPN-NSHDSACASA-N 2 1 255.362 -0.225 20 0 CBADMP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430901468 354250828 /nfs/dbraw/zinc/25/08/28/354250828.db2.gz USKLPKBIUDVLIY-VXGBXAGGSA-N 2 1 253.346 -0.330 20 0 CBADMP C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000431013215 354251391 /nfs/dbraw/zinc/25/13/91/354251391.db2.gz HWKVZCCIMGWZOO-QWHCGFSZSA-N 2 1 270.421 -0.158 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000430968125 354251647 /nfs/dbraw/zinc/25/16/47/354251647.db2.gz XBIXKAHXSSFKIU-NSHDSACASA-N 2 1 263.407 -0.191 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000430968125 354251649 /nfs/dbraw/zinc/25/16/49/354251649.db2.gz XBIXKAHXSSFKIU-NSHDSACASA-N 2 1 263.407 -0.191 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000431015662 354251836 /nfs/dbraw/zinc/25/18/36/354251836.db2.gz PZGVCBMTRJMWBJ-CHWSQXEVSA-N 2 1 268.405 -0.404 20 0 CBADMP COCC[C@@]1(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC[NH2+]C1 ZINC000431004187 354251892 /nfs/dbraw/zinc/25/18/92/354251892.db2.gz IQJMDNRISQMSRP-HIFRSBDPSA-N 2 1 298.431 -0.635 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444164747 354262113 /nfs/dbraw/zinc/26/21/13/354262113.db2.gz GGPZGKFCJBARBF-VXGBXAGGSA-N 2 1 255.362 -0.179 20 0 CBADMP COC(=O)CC1CC([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000424281499 354222949 /nfs/dbraw/zinc/22/29/49/354222949.db2.gz NMYUXYXKMHKNLM-GCZXYKMCSA-N 2 1 256.346 -0.016 20 0 CBADMP COC(=O)CC1CC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000424281499 354222951 /nfs/dbraw/zinc/22/29/51/354222951.db2.gz NMYUXYXKMHKNLM-GCZXYKMCSA-N 2 1 256.346 -0.016 20 0 CBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)C2C[NH2+]C2)C[C@H](C)O1 ZINC000424279844 354222986 /nfs/dbraw/zinc/22/29/86/354222986.db2.gz HBGQGMCNSLOUOW-PHIMTYICSA-N 2 1 255.362 -0.227 20 0 CBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)C2C[NH2+]C2)C[C@H](C)O1 ZINC000424279844 354222988 /nfs/dbraw/zinc/22/29/88/354222988.db2.gz HBGQGMCNSLOUOW-PHIMTYICSA-N 2 1 255.362 -0.227 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1C[NH2+]CCO1 ZINC000446284795 354286024 /nfs/dbraw/zinc/28/60/24/354286024.db2.gz QDOWETVYWAKBNI-TUAOUCFPSA-N 2 1 253.346 -0.282 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000418607788 291025481 /nfs/dbraw/zinc/02/54/81/291025481.db2.gz BVJBJCQFFLWQSI-QWRGUYRKSA-N 2 1 286.376 -0.388 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000418607788 291025483 /nfs/dbraw/zinc/02/54/83/291025483.db2.gz BVJBJCQFFLWQSI-QWRGUYRKSA-N 2 1 286.376 -0.388 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000447442735 354298404 /nfs/dbraw/zinc/29/84/04/354298404.db2.gz TWVJZCNJZMTINW-ZDUSSCGKSA-N 2 1 286.420 -0.506 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000447436878 354298662 /nfs/dbraw/zinc/29/86/62/354298662.db2.gz AYHYGWBHUOGZIF-NWDGAFQWSA-N 2 1 273.377 -0.423 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000447450900 354299756 /nfs/dbraw/zinc/29/97/56/354299756.db2.gz QWMFQHQIGWBQSD-SNVBAGLBSA-N 2 1 269.349 -0.534 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449703050 354321472 /nfs/dbraw/zinc/32/14/72/354321472.db2.gz VOMQMMWYFGYWNY-XQQFMLRXSA-N 2 1 268.405 -0.121 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000449753193 354321858 /nfs/dbraw/zinc/32/18/58/354321858.db2.gz OCPPMRPQKDEHKZ-MNOVXSKESA-N 2 1 255.362 -0.036 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000449753193 354321860 /nfs/dbraw/zinc/32/18/60/354321860.db2.gz OCPPMRPQKDEHKZ-MNOVXSKESA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@H](O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000450498889 354325585 /nfs/dbraw/zinc/32/55/85/354325585.db2.gz HEWKFIILUIPPEG-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000450498889 354325587 /nfs/dbraw/zinc/32/55/87/354325587.db2.gz HEWKFIILUIPPEG-STQMWFEESA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000451467542 354336417 /nfs/dbraw/zinc/33/64/17/354336417.db2.gz ZRNLNNZOYFXTKY-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1[C@@H](O)CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000451467542 354336421 /nfs/dbraw/zinc/33/64/21/354336421.db2.gz ZRNLNNZOYFXTKY-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCN3CCC4)C[C@@H]21 ZINC000452968401 354353349 /nfs/dbraw/zinc/35/33/49/354353349.db2.gz BSSBXQZLODOQBF-HZSPNIEDSA-N 2 1 278.400 -0.461 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)C[C@@H]21 ZINC000452968401 354353351 /nfs/dbraw/zinc/35/33/51/354353351.db2.gz BSSBXQZLODOQBF-HZSPNIEDSA-N 2 1 278.400 -0.461 20 0 CBADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C[C@@H]21 ZINC000452968401 354353354 /nfs/dbraw/zinc/35/33/54/354353354.db2.gz BSSBXQZLODOQBF-HZSPNIEDSA-N 2 1 278.400 -0.461 20 0 CBADMP C[NH+](C)CCOCCNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000458703196 354379614 /nfs/dbraw/zinc/37/96/14/354379614.db2.gz WHWYZAONCOKQHH-QWHCGFSZSA-N 2 1 284.404 -0.090 20 0 CBADMP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000459905278 354393137 /nfs/dbraw/zinc/39/31/37/354393137.db2.gz NNCKPXQGHQEOCU-NWDGAFQWSA-N 2 1 282.388 -0.831 20 0 CBADMP CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000479292721 354407631 /nfs/dbraw/zinc/40/76/31/354407631.db2.gz BALMCPJXMAADGJ-QJPTWQEYSA-N 2 1 253.346 -0.596 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000487453778 354415539 /nfs/dbraw/zinc/41/55/39/354415539.db2.gz TXCMIEWESGZUMS-FRRDWIJNSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000487453778 354415541 /nfs/dbraw/zinc/41/55/41/354415541.db2.gz TXCMIEWESGZUMS-FRRDWIJNSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000487453778 354415543 /nfs/dbraw/zinc/41/55/43/354415543.db2.gz TXCMIEWESGZUMS-FRRDWIJNSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000487453778 354415546 /nfs/dbraw/zinc/41/55/46/354415546.db2.gz TXCMIEWESGZUMS-FRRDWIJNSA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000487453778 354415548 /nfs/dbraw/zinc/41/55/48/354415548.db2.gz TXCMIEWESGZUMS-FRRDWIJNSA-N 2 1 269.389 -0.291 20 0 CBADMP COCC[NH+]1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000491864498 354461606 /nfs/dbraw/zinc/46/16/06/354461606.db2.gz FYJLEBURWNXSKM-PLNGDYQASA-N 2 1 255.362 -0.105 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)/C=C\C[NH+](C)C ZINC000491909162 354461974 /nfs/dbraw/zinc/46/19/74/354461974.db2.gz WNPHCLYUJRHCTH-SZZPACECSA-N 2 1 268.405 -0.144 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000496166841 354535528 /nfs/dbraw/zinc/53/55/28/354535528.db2.gz DPBBVHCGKYCYPK-UTUOFQBUSA-N 2 1 271.361 -0.271 20 0 CBADMP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000496166841 354535532 /nfs/dbraw/zinc/53/55/32/354535532.db2.gz DPBBVHCGKYCYPK-UTUOFQBUSA-N 2 1 271.361 -0.271 20 0 CBADMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000496166841 354535535 /nfs/dbraw/zinc/53/55/35/354535535.db2.gz DPBBVHCGKYCYPK-UTUOFQBUSA-N 2 1 271.361 -0.271 20 0 CBADMP COC(=O)[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)CC[N@@H+](C)C1 ZINC000493236643 354491632 /nfs/dbraw/zinc/49/16/32/354491632.db2.gz HKLWVVKPVOCIFY-FYJFLYSWSA-N 2 1 283.372 -0.333 20 0 CBADMP C[NH2+]C[C@](C)(O)CN1CC[NH+](CCOC(C)C)CC1 ZINC000515069109 354555928 /nfs/dbraw/zinc/55/59/28/354555928.db2.gz XUEOCYLZIXSWOT-AWEZNQCLSA-N 2 1 273.421 -0.001 20 0 CBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000515673314 354556102 /nfs/dbraw/zinc/55/61/02/354556102.db2.gz URRIUYVZXPIMQL-QWRGUYRKSA-N 2 1 268.361 -0.983 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1O ZINC000518581646 354558823 /nfs/dbraw/zinc/55/88/23/354558823.db2.gz KMTJRJWVVMDWQQ-KBPBESRZSA-N 2 1 299.415 -0.378 20 0 CBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000535715278 354602289 /nfs/dbraw/zinc/60/22/89/354602289.db2.gz JXPLZVLJNYBKRU-DZGCQCFKSA-N 2 1 292.427 -0.023 20 0 CBADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000535715278 354602294 /nfs/dbraw/zinc/60/22/94/354602294.db2.gz JXPLZVLJNYBKRU-DZGCQCFKSA-N 2 1 292.427 -0.023 20 0 CBADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000535715278 354602299 /nfs/dbraw/zinc/60/22/99/354602299.db2.gz JXPLZVLJNYBKRU-DZGCQCFKSA-N 2 1 292.427 -0.023 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@]2(O)C[NH+]3CCC2CC3)C1 ZINC000519551415 354563874 /nfs/dbraw/zinc/56/38/74/354563874.db2.gz LXXBASAIAWJQDD-WFASDCNBSA-N 2 1 281.400 -0.099 20 0 CBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000520430937 354567863 /nfs/dbraw/zinc/56/78/63/354567863.db2.gz RWKFUSXVORHDAS-OLZOCXBDSA-N 2 1 296.415 -0.299 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000520551208 354568528 /nfs/dbraw/zinc/56/85/28/354568528.db2.gz XCODNAAGUGAQDN-UHFFFAOYSA-N 2 1 296.415 -0.344 20 0 CBADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000529303579 354583646 /nfs/dbraw/zinc/58/36/46/354583646.db2.gz ABLLDCWSJKSOIM-GHMZBOCLSA-N 2 1 268.361 -0.489 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529310103 354584061 /nfs/dbraw/zinc/58/40/61/354584061.db2.gz PAZMLBKAUZBNCQ-QWRGUYRKSA-N 2 1 256.350 -0.632 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C[N@H+]1C1CC1 ZINC000529316825 354584912 /nfs/dbraw/zinc/58/49/12/354584912.db2.gz PLMSZLLITFHQKN-GRYCIOLGSA-N 2 1 282.388 -0.101 20 0 CBADMP CN(C)C(=O)C[NH+](C)CCCC[N@H+](C)CC(=O)N(C)C ZINC000535010756 354598784 /nfs/dbraw/zinc/59/87/84/354598784.db2.gz IBGLIBIQUDNDPY-UHFFFAOYSA-N 2 1 286.420 -0.193 20 0 CBADMP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000546591309 354653629 /nfs/dbraw/zinc/65/36/29/354653629.db2.gz ZQZLFFCETFMGCW-DGCLKSJQSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000546591309 354653631 /nfs/dbraw/zinc/65/36/31/354653631.db2.gz ZQZLFFCETFMGCW-DGCLKSJQSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000546591309 354653633 /nfs/dbraw/zinc/65/36/33/354653633.db2.gz ZQZLFFCETFMGCW-DGCLKSJQSA-N 2 1 270.377 -0.554 20 0 CBADMP CO[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000537619167 354612206 /nfs/dbraw/zinc/61/22/06/354612206.db2.gz YMFJHYCKZKIICC-RYUDHWBXSA-N 2 1 283.372 -0.214 20 0 CBADMP CO[C@H]1CCC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000537619167 354612209 /nfs/dbraw/zinc/61/22/09/354612209.db2.gz YMFJHYCKZKIICC-RYUDHWBXSA-N 2 1 283.372 -0.214 20 0 CBADMP C[NH+](C)CCCCC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556939742 354684674 /nfs/dbraw/zinc/68/46/74/354684674.db2.gz JDSAATLAKWTJCQ-UHFFFAOYSA-N 2 1 298.431 -0.001 20 0 CBADMP CN(C(=O)NC[C@H]1C[NH2+]CCN1C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000562821209 354688685 /nfs/dbraw/zinc/68/86/85/354688685.db2.gz ZYBBVMFDHMICPM-ZIAGYGMSSA-N 2 1 295.431 -0.232 20 0 CBADMP CN(C(=O)NC[C@H]1C[NH2+]CCN1C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000562821208 354688934 /nfs/dbraw/zinc/68/89/34/354688934.db2.gz ZYBBVMFDHMICPM-UONOGXRCSA-N 2 1 295.431 -0.232 20 0 CBADMP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@H](C)[N@@H+]1C ZINC000562821074 354689142 /nfs/dbraw/zinc/68/91/42/354689142.db2.gz VJTYXDMGFCMURO-XQQFMLRXSA-N 2 1 283.420 -0.376 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000562831826 354689199 /nfs/dbraw/zinc/68/91/99/354689199.db2.gz QKDNVESZOOOWNV-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCc2nnnn2CC1)C1CC1 ZINC000563008134 354691596 /nfs/dbraw/zinc/69/15/96/354691596.db2.gz SCEOIKWQAJPKLS-ZYHUDNBSSA-N 2 1 280.376 -0.577 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCc2nnnn2CC1)C1CC1 ZINC000563008134 354691600 /nfs/dbraw/zinc/69/16/00/354691600.db2.gz SCEOIKWQAJPKLS-ZYHUDNBSSA-N 2 1 280.376 -0.577 20 0 CBADMP C[C@H]1CN(CCO)CCN1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000563034939 354692660 /nfs/dbraw/zinc/69/26/60/354692660.db2.gz DNWUYUHKZMWVHJ-QWHCGFSZSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000563034939 354692662 /nfs/dbraw/zinc/69/26/62/354692662.db2.gz DNWUYUHKZMWVHJ-QWHCGFSZSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000563034939 354692666 /nfs/dbraw/zinc/69/26/66/354692666.db2.gz DNWUYUHKZMWVHJ-QWHCGFSZSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000563034939 354692673 /nfs/dbraw/zinc/69/26/73/354692673.db2.gz DNWUYUHKZMWVHJ-QWHCGFSZSA-N 2 1 296.415 -0.069 20 0 CBADMP CN(C(=O)c1cn(CCC[NH3+])nn1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000563094321 354695726 /nfs/dbraw/zinc/69/57/26/354695726.db2.gz CYYTVSXVODIECW-GFCCVEGCSA-N 2 1 292.387 -0.064 20 0 CBADMP [NH3+][C@H](C(=O)NCC[N@@H+]1CCCOCC1)C1CCC1 ZINC000563096452 354695749 /nfs/dbraw/zinc/69/57/49/354695749.db2.gz GBMFDUOSHSQOCA-LBPRGKRZSA-N 2 1 255.362 -0.048 20 0 CBADMP [NH3+][C@H](C(=O)NCC[N@H+]1CCCOCC1)C1CCC1 ZINC000563096452 354695752 /nfs/dbraw/zinc/69/57/52/354695752.db2.gz GBMFDUOSHSQOCA-LBPRGKRZSA-N 2 1 255.362 -0.048 20 0 CBADMP CN(C(=O)c1cn(CCC[NH3+])nn1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000563094322 354695883 /nfs/dbraw/zinc/69/58/83/354695883.db2.gz CYYTVSXVODIECW-LBPRGKRZSA-N 2 1 292.387 -0.064 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]CCC(=O)Nc1cccnc1 ZINC000563139709 354698862 /nfs/dbraw/zinc/69/88/62/354698862.db2.gz BTGCTCGSFWAFNQ-NSHDSACASA-N 2 1 252.318 -0.420 20 0 CBADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(CO)CCOCC1)C1CC1 ZINC000563144747 354699204 /nfs/dbraw/zinc/69/92/04/354699204.db2.gz XKYNBYPHECAJCR-ZDUSSCGKSA-N 2 1 272.389 -0.180 20 0 CBADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(CO)CCOCC1)C1CC1 ZINC000563144747 354699206 /nfs/dbraw/zinc/69/92/06/354699206.db2.gz XKYNBYPHECAJCR-ZDUSSCGKSA-N 2 1 272.389 -0.180 20 0 CBADMP COCC[N@@H+](C)CCC[NH2+]CCC(=O)NC(N)=O ZINC000563806085 354705242 /nfs/dbraw/zinc/70/52/42/354705242.db2.gz NXKAEGAUNNWUBQ-UHFFFAOYSA-N 2 1 260.338 -0.871 20 0 CBADMP C[C@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000564656966 354714919 /nfs/dbraw/zinc/71/49/19/354714919.db2.gz OYIVHMKFMYTSNF-VXGBXAGGSA-N 2 1 254.378 -0.557 20 0 CBADMP CCC[C@H]1CNCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000564799327 354717507 /nfs/dbraw/zinc/71/75/07/354717507.db2.gz UOQCJHXCUHUJRC-ZDUSSCGKSA-N 2 1 268.405 -0.118 20 0 CBADMP CCC[C@H]1CNCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000564799327 354717510 /nfs/dbraw/zinc/71/75/10/354717510.db2.gz UOQCJHXCUHUJRC-ZDUSSCGKSA-N 2 1 268.405 -0.118 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000564969462 354722633 /nfs/dbraw/zinc/72/26/33/354722633.db2.gz XUSUXRPVRRQZHQ-OLZOCXBDSA-N 3 1 268.405 -0.227 20 0 CBADMP CN1CCN(C(=O)CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000564986661 354723470 /nfs/dbraw/zinc/72/34/70/354723470.db2.gz BTSOWMQTJRNGAE-KGLIPLIRSA-N 3 1 280.416 -0.308 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000564986661 354723473 /nfs/dbraw/zinc/72/34/73/354723473.db2.gz BTSOWMQTJRNGAE-KGLIPLIRSA-N 2 1 280.416 -0.308 20 0 CBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000565154953 354729069 /nfs/dbraw/zinc/72/90/69/354729069.db2.gz CVRIETZLRHMXEA-ZIAGYGMSSA-N 2 1 290.404 -0.697 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000565154953 354729073 /nfs/dbraw/zinc/72/90/73/354729073.db2.gz CVRIETZLRHMXEA-ZIAGYGMSSA-N 2 1 290.404 -0.697 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000556737241 354680764 /nfs/dbraw/zinc/68/07/64/354680764.db2.gz QJLYXXNGNBTODD-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CCOC[C@@H](O)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000565770490 354745497 /nfs/dbraw/zinc/74/54/97/354745497.db2.gz WKDLKHYGXJEBES-ZDUSSCGKSA-N 2 1 273.421 -0.001 20 0 CBADMP CCOC[C@H](O)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000565770489 354745555 /nfs/dbraw/zinc/74/55/55/354745555.db2.gz WKDLKHYGXJEBES-CYBMUJFWSA-N 2 1 273.421 -0.001 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000565930930 354748861 /nfs/dbraw/zinc/74/88/61/354748861.db2.gz ZXGXOLUJJDKILU-GJZGRUSLSA-N 2 1 285.432 -0.047 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000566206116 354756505 /nfs/dbraw/zinc/75/65/05/354756505.db2.gz QYKDTDYKCHHZKM-STQMWFEESA-N 2 1 278.356 -0.082 20 0 CBADMP [NH3+]CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000566225469 354758291 /nfs/dbraw/zinc/75/82/91/354758291.db2.gz PLMXVCYKDVWNGL-GFCCVEGCSA-N 3 1 254.378 -0.521 20 0 CBADMP [NH3+]CCC[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000566225469 354758293 /nfs/dbraw/zinc/75/82/93/354758293.db2.gz PLMXVCYKDVWNGL-GFCCVEGCSA-N 2 1 254.378 -0.521 20 0 CBADMP [NH3+]CCC[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000566225469 354758296 /nfs/dbraw/zinc/75/82/96/354758296.db2.gz PLMXVCYKDVWNGL-GFCCVEGCSA-N 2 1 254.378 -0.521 20 0 CBADMP O=C(CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000566244875 354759285 /nfs/dbraw/zinc/75/92/85/354759285.db2.gz KDUOMYLLQBQETI-HNNXBMFYSA-N 3 1 280.416 -0.116 20 0 CBADMP O=C(CCN1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000566244875 354759288 /nfs/dbraw/zinc/75/92/88/354759288.db2.gz KDUOMYLLQBQETI-HNNXBMFYSA-N 2 1 280.416 -0.116 20 0 CBADMP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000566249526 354759679 /nfs/dbraw/zinc/75/96/79/354759679.db2.gz VKZPVCCKFQXHRY-STQMWFEESA-N 2 1 278.356 -0.082 20 0 CBADMP CNC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000566417918 354765297 /nfs/dbraw/zinc/76/52/97/354765297.db2.gz WAQYRWZGABHTLF-GXTWGEPZSA-N 2 1 287.404 -0.617 20 0 CBADMP CNC(=O)[C@]1(C)CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000566417918 354765299 /nfs/dbraw/zinc/76/52/99/354765299.db2.gz WAQYRWZGABHTLF-GXTWGEPZSA-N 2 1 287.404 -0.617 20 0 CBADMP CNC(=O)[C@]1(C)CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000566417918 354765301 /nfs/dbraw/zinc/76/53/01/354765301.db2.gz WAQYRWZGABHTLF-GXTWGEPZSA-N 2 1 287.404 -0.617 20 0 CBADMP CNC(=O)[C@]1(C)CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000566417918 354765304 /nfs/dbraw/zinc/76/53/04/354765304.db2.gz WAQYRWZGABHTLF-GXTWGEPZSA-N 2 1 287.404 -0.617 20 0 CBADMP C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[NH+](C)CC1 ZINC000566562350 354770646 /nfs/dbraw/zinc/77/06/46/354770646.db2.gz JSYTXPZNNPLUEB-MCIONIFRSA-N 2 1 280.416 -0.025 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000566618418 354771860 /nfs/dbraw/zinc/77/18/60/354771860.db2.gz KSOHRYQZUQZQMX-MELADBBJSA-N 2 1 298.431 -0.637 20 0 CBADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000566968550 354777959 /nfs/dbraw/zinc/77/79/59/354777959.db2.gz XRYIZSHKHYDSGN-CQSZACIVSA-N 2 1 282.388 -0.136 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000567111503 354781568 /nfs/dbraw/zinc/78/15/68/354781568.db2.gz CAKBVNUJMLUZHS-SDDRHHMPSA-N 2 1 283.372 -0.181 20 0 CBADMP C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000567368587 354786900 /nfs/dbraw/zinc/78/69/00/354786900.db2.gz BGLKDEYKJKMJDT-STQMWFEESA-N 2 1 283.420 -0.469 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)[C@H]2C1 ZINC000565255784 354735327 /nfs/dbraw/zinc/73/53/27/354735327.db2.gz UPHVZUMVDOKGGB-SRVKXCTJSA-N 2 1 280.372 -0.983 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000565256036 354735664 /nfs/dbraw/zinc/73/56/64/354735664.db2.gz YJZDVHOXOWJHJV-GFCCVEGCSA-N 2 1 284.404 -0.216 20 0 CBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000565412433 354738113 /nfs/dbraw/zinc/73/81/13/354738113.db2.gz KTWAKDLBBBFEEI-UONOGXRCSA-N 2 1 295.431 -0.230 20 0 CBADMP C[C@@H]([NH2+]CCC(=O)NC(N)=O)C1=CC[N@@H+](C)CC1 ZINC000565416687 354738164 /nfs/dbraw/zinc/73/81/64/354738164.db2.gz BDSHLPACPSXSEV-SECBINFHSA-N 2 1 254.334 -0.189 20 0 CBADMP CC[C@@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000565656086 354742974 /nfs/dbraw/zinc/74/29/74/354742974.db2.gz FDDCVVUVAHWDQU-WDEREUQCSA-N 2 1 268.361 -0.854 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)COC1C[NH2+]C1 ZINC000567811716 354798316 /nfs/dbraw/zinc/79/83/16/354798316.db2.gz BFJNDFKLWXMOJZ-PWSUYJOCSA-N 2 1 255.362 -0.227 20 0 CBADMP CCC[C@H](O)[C@@H](CO)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000567872570 354801628 /nfs/dbraw/zinc/80/16/28/354801628.db2.gz BFGFHHRKKLOYSZ-UPJWGTAASA-N 2 1 260.378 -0.447 20 0 CBADMP CCC[C@H](O)[C@@H](CO)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000567872570 354801630 /nfs/dbraw/zinc/80/16/30/354801630.db2.gz BFGFHHRKKLOYSZ-UPJWGTAASA-N 2 1 260.378 -0.447 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000567871636 354801725 /nfs/dbraw/zinc/80/17/25/354801725.db2.gz ZXMJRNRWZKGQDC-UKRRQHHQSA-N 3 1 280.416 -0.131 20 0 CBADMP CCC[C@H](O)[C@@H](CO)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000567872571 354802002 /nfs/dbraw/zinc/80/20/02/354802002.db2.gz BFGFHHRKKLOYSZ-XQQFMLRXSA-N 2 1 260.378 -0.447 20 0 CBADMP CCC[C@H](O)[C@@H](CO)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000567872571 354802004 /nfs/dbraw/zinc/80/20/04/354802004.db2.gz BFGFHHRKKLOYSZ-XQQFMLRXSA-N 2 1 260.378 -0.447 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000568777412 354833065 /nfs/dbraw/zinc/83/30/65/354833065.db2.gz OSJKBRHWKKKPBU-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000568777412 354833067 /nfs/dbraw/zinc/83/30/67/354833067.db2.gz OSJKBRHWKKKPBU-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000568777412 354833070 /nfs/dbraw/zinc/83/30/70/354833070.db2.gz OSJKBRHWKKKPBU-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000568777412 354833074 /nfs/dbraw/zinc/83/30/74/354833074.db2.gz OSJKBRHWKKKPBU-TZMCWYRMSA-N 2 1 269.389 -0.099 20 0 CBADMP C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](C)CC1 ZINC000567892595 354803173 /nfs/dbraw/zinc/80/31/73/354803173.db2.gz UWAGYLZABZXINX-MJBXVCDLSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@H](C(=O)NCCCN1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000567885480 354803361 /nfs/dbraw/zinc/80/33/61/354803361.db2.gz UPKXKUVELGOHKJ-CQSZACIVSA-N 2 1 297.447 -0.966 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000567893092 354803508 /nfs/dbraw/zinc/80/35/08/354803508.db2.gz WAAYYGVRMCTRCB-LLVKDONJSA-N 2 1 263.407 -0.143 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000567893092 354803511 /nfs/dbraw/zinc/80/35/11/354803511.db2.gz WAAYYGVRMCTRCB-LLVKDONJSA-N 2 1 263.407 -0.143 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000567913345 354805472 /nfs/dbraw/zinc/80/54/72/354805472.db2.gz DBVQZZYLGLAYQD-WCQYABFASA-N 2 1 288.367 -0.754 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000567973510 354806652 /nfs/dbraw/zinc/80/66/52/354806652.db2.gz KTWTXSRKTACFMC-LBPRGKRZSA-N 2 1 282.388 -0.591 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000568166732 354812027 /nfs/dbraw/zinc/81/20/27/354812027.db2.gz RPOZAGVCACTOOQ-CHWSQXEVSA-N 2 1 260.378 -0.324 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](COC)(C(=O)OC)C1 ZINC000568177420 354813344 /nfs/dbraw/zinc/81/33/44/354813344.db2.gz VESRPSJENMGHPX-GXTWGEPZSA-N 2 1 288.388 -0.190 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](COC)(C(=O)OC)C1 ZINC000568177420 354813345 /nfs/dbraw/zinc/81/33/45/354813345.db2.gz VESRPSJENMGHPX-GXTWGEPZSA-N 2 1 288.388 -0.190 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](COC)(C(=O)OC)C1 ZINC000568177420 354813347 /nfs/dbraw/zinc/81/33/47/354813347.db2.gz VESRPSJENMGHPX-GXTWGEPZSA-N 2 1 288.388 -0.190 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](COC)(C(=O)OC)C1 ZINC000568177420 354813348 /nfs/dbraw/zinc/81/33/48/354813348.db2.gz VESRPSJENMGHPX-GXTWGEPZSA-N 2 1 288.388 -0.190 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000568166734 354813506 /nfs/dbraw/zinc/81/35/06/354813506.db2.gz RPOZAGVCACTOOQ-QWHCGFSZSA-N 2 1 260.378 -0.324 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000568181501 354814445 /nfs/dbraw/zinc/81/44/45/354814445.db2.gz VCTWAMRVPOSFPQ-SOUVJXGZSA-N 2 1 285.432 -0.049 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000568181501 354814447 /nfs/dbraw/zinc/81/44/47/354814447.db2.gz VCTWAMRVPOSFPQ-SOUVJXGZSA-N 2 1 285.432 -0.049 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000568181501 354814449 /nfs/dbraw/zinc/81/44/49/354814449.db2.gz VCTWAMRVPOSFPQ-SOUVJXGZSA-N 2 1 285.432 -0.049 20 0 CBADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000568265781 354819158 /nfs/dbraw/zinc/81/91/58/354819158.db2.gz NQRROIVXGLFMIO-CQSZACIVSA-N 2 1 290.367 -0.457 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000568292727 354820095 /nfs/dbraw/zinc/82/00/95/354820095.db2.gz ULUICGXZCKTQMZ-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000568292729 354820611 /nfs/dbraw/zinc/82/06/11/354820611.db2.gz ULUICGXZCKTQMZ-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000568381538 354822637 /nfs/dbraw/zinc/82/26/37/354822637.db2.gz TXBYWVHJCGCHBY-VXGBXAGGSA-N 2 1 277.372 -0.107 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000568389417 354822763 /nfs/dbraw/zinc/82/27/63/354822763.db2.gz IMSNPQPVWFWHBB-PWSUYJOCSA-N 2 1 255.362 -0.036 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000568392601 354823272 /nfs/dbraw/zinc/82/32/72/354823272.db2.gz MZPINPTYQXZYKN-LLVKDONJSA-N 2 1 298.387 -0.481 20 0 CBADMP C[C@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCN1 ZINC000568391623 354823738 /nfs/dbraw/zinc/82/37/38/354823738.db2.gz HKUHWRCKJCNLGX-NWDGAFQWSA-N 2 1 254.378 -0.523 20 0 CBADMP C[C@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCN1 ZINC000568391623 354823740 /nfs/dbraw/zinc/82/37/40/354823740.db2.gz HKUHWRCKJCNLGX-NWDGAFQWSA-N 2 1 254.378 -0.523 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000568512187 354825183 /nfs/dbraw/zinc/82/51/83/354825183.db2.gz NTUZUZQGBWZEMW-ZDUSSCGKSA-N 2 1 271.361 -0.321 20 0 CBADMP NC(=O)NC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000568501379 354825772 /nfs/dbraw/zinc/82/57/72/354825772.db2.gz KZPZRSHFINYMBD-UWVGGRQHSA-N 2 1 254.334 -0.212 20 0 CBADMP NC(=O)NC(=O)CC[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000568501379 354825774 /nfs/dbraw/zinc/82/57/74/354825774.db2.gz KZPZRSHFINYMBD-UWVGGRQHSA-N 2 1 254.334 -0.212 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000568527152 354826171 /nfs/dbraw/zinc/82/61/71/354826171.db2.gz QKCZNADIXDXYKV-MNOVXSKESA-N 2 1 271.361 -0.181 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000568527154 354826768 /nfs/dbraw/zinc/82/67/68/354826768.db2.gz QKCZNADIXDXYKV-WDEREUQCSA-N 2 1 271.361 -0.181 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567772273 354796495 /nfs/dbraw/zinc/79/64/95/354796495.db2.gz NAFAXKFRDHRYJK-NWDGAFQWSA-N 2 1 292.387 -0.146 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000567772272 354796515 /nfs/dbraw/zinc/79/65/15/354796515.db2.gz NAFAXKFRDHRYJK-NEPJUHHUSA-N 2 1 292.387 -0.146 20 0 CBADMP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000570817219 354870677 /nfs/dbraw/zinc/87/06/77/354870677.db2.gz IZQKMYLZUBNTPY-LBPRGKRZSA-N 2 1 296.415 -0.156 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000570851156 354871834 /nfs/dbraw/zinc/87/18/34/354871834.db2.gz CULRZCLNUMRNOT-CQSZACIVSA-N 2 1 279.388 -0.041 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000570851156 354871839 /nfs/dbraw/zinc/87/18/39/354871839.db2.gz CULRZCLNUMRNOT-CQSZACIVSA-N 2 1 279.388 -0.041 20 0 CBADMP C[N@@H+]1CC[C@@H]2OCCN(C(=O)CC(F)(F)C[NH3+])[C@H]2C1 ZINC000568894391 354835029 /nfs/dbraw/zinc/83/50/29/354835029.db2.gz RGKINNBCGSGGMP-UWVGGRQHSA-N 2 1 277.315 -0.098 20 0 CBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)CC(F)(F)C[NH3+])[C@H]2C1 ZINC000568894391 354835033 /nfs/dbraw/zinc/83/50/33/354835033.db2.gz RGKINNBCGSGGMP-UWVGGRQHSA-N 2 1 277.315 -0.098 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@H+]2CC[C@H](C)C2)C1 ZINC000569224976 354840156 /nfs/dbraw/zinc/84/01/56/354840156.db2.gz IHLYWWIAPRRMHJ-SDDRHHMPSA-N 2 1 255.362 -0.179 20 0 CBADMP CCOC(=O)C1([C@H](C)[NH2+]C2CNC2)CC[NH2+]CC1 ZINC000569330396 354842940 /nfs/dbraw/zinc/84/29/40/354842940.db2.gz WUKAXFYBIRLZJT-JTQLQIEISA-N 2 1 255.362 -0.131 20 0 CBADMP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000569327506 354843206 /nfs/dbraw/zinc/84/32/06/354843206.db2.gz RRLAMFFDTRSJDC-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP C[NH2+]CC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000569692436 354844263 /nfs/dbraw/zinc/84/42/63/354844263.db2.gz AMPCPCRWKXMHQM-UHFFFAOYSA-N 2 1 254.378 -0.462 20 0 CBADMP CN1CCN(C(=O)NCC[N@@H+](C)C2CC2)[C@@H](C[NH3+])C1 ZINC000570424684 354861291 /nfs/dbraw/zinc/86/12/91/354861291.db2.gz GENXVEILAASDBI-LBPRGKRZSA-N 3 1 269.393 -0.635 20 0 CBADMP CC[N@H+]1CCN(C[C@H](O)C[NH+](C)CCOC)[C@@H](C)C1 ZINC000570580459 354864749 /nfs/dbraw/zinc/86/47/49/354864749.db2.gz XDUBJHRCGKKYAA-UONOGXRCSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+]1CCN(C[C@H](O)C[N@H+](C)CCOC)[C@@H](C)C1 ZINC000570580459 354864751 /nfs/dbraw/zinc/86/47/51/354864751.db2.gz XDUBJHRCGKKYAA-UONOGXRCSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[NH+]1CCN(C[C@H](O)C[N@@H+](C)CCOC)[C@@H](C)C1 ZINC000570580459 354864752 /nfs/dbraw/zinc/86/47/52/354864752.db2.gz XDUBJHRCGKKYAA-UONOGXRCSA-N 2 1 273.421 -0.049 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000572039541 354886275 /nfs/dbraw/zinc/88/62/75/354886275.db2.gz PTOXORSVWWJSLJ-SRVKXCTJSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000572494540 354892244 /nfs/dbraw/zinc/89/22/44/354892244.db2.gz YQLYEMSPDLFIGK-IJLUTSLNSA-N 2 1 257.378 -0.067 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000572768905 354897098 /nfs/dbraw/zinc/89/70/98/354897098.db2.gz KOKNGPIANFVKLN-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000572982206 354901844 /nfs/dbraw/zinc/90/18/44/354901844.db2.gz OFVQGJMFHLNNIY-VXGBXAGGSA-N 2 1 257.378 -0.291 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000572982206 354901847 /nfs/dbraw/zinc/90/18/47/354901847.db2.gz OFVQGJMFHLNNIY-VXGBXAGGSA-N 2 1 257.378 -0.291 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000572982206 354901852 /nfs/dbraw/zinc/90/18/52/354901852.db2.gz OFVQGJMFHLNNIY-VXGBXAGGSA-N 2 1 257.378 -0.291 20 0 CBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000572982206 354901857 /nfs/dbraw/zinc/90/18/57/354901857.db2.gz OFVQGJMFHLNNIY-VXGBXAGGSA-N 2 1 257.378 -0.291 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2(C)C[NH2+]C2)[C@@H](C)C1 ZINC000573110792 354904997 /nfs/dbraw/zinc/90/49/97/354904997.db2.gz CEUXPRNDLZEPRP-NSHDSACASA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)C2(C)C[NH2+]C2)[C@@H](C)C1 ZINC000573110792 354905000 /nfs/dbraw/zinc/90/50/00/354905000.db2.gz CEUXPRNDLZEPRP-NSHDSACASA-N 2 1 283.372 -0.308 20 0 CBADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000573189985 354906821 /nfs/dbraw/zinc/90/68/21/354906821.db2.gz MYBACZBQFPENKM-ZIAGYGMSSA-N 2 1 297.447 -0.079 20 0 CBADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000573308929 354910327 /nfs/dbraw/zinc/91/03/27/354910327.db2.gz UOMSFUHCHYOWIR-ZDUSSCGKSA-N 2 1 283.420 -0.373 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000573442448 354912992 /nfs/dbraw/zinc/91/29/92/354912992.db2.gz LSTKUNBAFAGTCB-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP CN1CC[C@@H]([N@@H+]2CCC[C@H](N3CCNCC3=O)C2)C1=O ZINC000571802536 354881143 /nfs/dbraw/zinc/88/11/43/354881143.db2.gz WFBBNXPDXHCVHA-NWDGAFQWSA-N 2 1 280.372 -0.887 20 0 CBADMP CN1CC[C@@H]([N@H+]2CCC[C@H](N3CCNCC3=O)C2)C1=O ZINC000571802536 354881146 /nfs/dbraw/zinc/88/11/46/354881146.db2.gz WFBBNXPDXHCVHA-NWDGAFQWSA-N 2 1 280.372 -0.887 20 0 CBADMP CN1CC[C@H]([N@@H+]2CCC[C@H](N3CCNCC3=O)C2)C1=O ZINC000571802538 354881368 /nfs/dbraw/zinc/88/13/68/354881368.db2.gz WFBBNXPDXHCVHA-RYUDHWBXSA-N 2 1 280.372 -0.887 20 0 CBADMP CN1CC[C@H]([N@H+]2CCC[C@H](N3CCNCC3=O)C2)C1=O ZINC000571802538 354881371 /nfs/dbraw/zinc/88/13/71/354881371.db2.gz WFBBNXPDXHCVHA-RYUDHWBXSA-N 2 1 280.372 -0.887 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)[C@@H]2C1 ZINC000423569800 283062353 /nfs/dbraw/zinc/06/23/53/283062353.db2.gz TVDPMYKGDJORLF-FRRDWIJNSA-N 2 1 294.399 -0.511 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCc3cccnc3)CCN2C1=O ZINC000573863606 354924432 /nfs/dbraw/zinc/92/44/32/354924432.db2.gz UYHPDDFDKZSTCI-CHWSQXEVSA-N 2 1 260.341 -0.132 20 0 CBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCc3cccnc3)CCN2C1=O ZINC000573863606 354924434 /nfs/dbraw/zinc/92/44/34/354924434.db2.gz UYHPDDFDKZSTCI-CHWSQXEVSA-N 2 1 260.341 -0.132 20 0 CBADMP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)CN1CCOCC1 ZINC000574191822 354930413 /nfs/dbraw/zinc/93/04/13/354930413.db2.gz IXMPADNZMJENTL-UKRRQHHQSA-N 2 1 285.432 -0.001 20 0 CBADMP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)CN1CCOCC1 ZINC000574191822 354930416 /nfs/dbraw/zinc/93/04/16/354930416.db2.gz IXMPADNZMJENTL-UKRRQHHQSA-N 2 1 285.432 -0.001 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000578357102 354944820 /nfs/dbraw/zinc/94/48/20/354944820.db2.gz VHVYZOGZHRHMPP-IUCAKERBSA-N 2 1 265.304 -0.194 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000578357102 354944825 /nfs/dbraw/zinc/94/48/25/354944825.db2.gz VHVYZOGZHRHMPP-IUCAKERBSA-N 2 1 265.304 -0.194 20 0 CBADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000578490294 354946975 /nfs/dbraw/zinc/94/69/75/354946975.db2.gz VUPGYSQSXPNJQG-WYUUTHIRSA-N 2 1 252.362 -0.060 20 0 CBADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000578617393 354949723 /nfs/dbraw/zinc/94/97/23/354949723.db2.gz LIRGPVWTJSGOLV-CYBMUJFWSA-N 2 1 294.399 -0.510 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000578988202 354959010 /nfs/dbraw/zinc/95/90/10/354959010.db2.gz RHCDYIDSFMEWRB-QWRGUYRKSA-N 2 1 263.407 -0.015 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000578988202 354959013 /nfs/dbraw/zinc/95/90/13/354959013.db2.gz RHCDYIDSFMEWRB-QWRGUYRKSA-N 2 1 263.407 -0.015 20 0 CBADMP C[NH2+][C@H]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000579474793 354971450 /nfs/dbraw/zinc/97/14/50/354971450.db2.gz OCUFXJGLPCQNLE-NEPJUHHUSA-N 2 1 254.378 -0.557 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000579490673 354972463 /nfs/dbraw/zinc/97/24/63/354972463.db2.gz DDVGENQYJVGRTO-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000579490673 354972466 /nfs/dbraw/zinc/97/24/66/354972466.db2.gz DDVGENQYJVGRTO-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000579490673 354972469 /nfs/dbraw/zinc/97/24/69/354972469.db2.gz DDVGENQYJVGRTO-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCO)[C@H](C)C1 ZINC000579854651 354981602 /nfs/dbraw/zinc/98/16/02/354981602.db2.gz HPUGAPUUDKFKCR-CHWSQXEVSA-N 2 1 259.394 -0.703 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000579854651 354981603 /nfs/dbraw/zinc/98/16/03/354981603.db2.gz HPUGAPUUDKFKCR-CHWSQXEVSA-N 2 1 259.394 -0.703 20 0 CBADMP CC1CC[NH+](C[C@H](O)C[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000580074328 354987183 /nfs/dbraw/zinc/98/71/83/354987183.db2.gz OSRBTPYLTBKCNR-LLVKDONJSA-N 2 1 286.376 -0.746 20 0 CBADMP C[C@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CC[NH+](C)CC1 ZINC000581012800 355003649 /nfs/dbraw/zinc/00/36/49/355003649.db2.gz VPXNITHJOXJSBT-UKRRQHHQSA-N 2 1 280.416 -0.166 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000580336383 354993603 /nfs/dbraw/zinc/99/36/03/354993603.db2.gz KIGBDXYPPWDZKH-VXGBXAGGSA-N 2 1 253.350 -0.115 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000580336383 354993605 /nfs/dbraw/zinc/99/36/05/354993605.db2.gz KIGBDXYPPWDZKH-VXGBXAGGSA-N 2 1 253.350 -0.115 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000580323833 354993727 /nfs/dbraw/zinc/99/37/27/354993727.db2.gz LRAIGPGNUUYBOW-QJPTWQEYSA-N 2 1 271.409 -0.343 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000580336380 354993763 /nfs/dbraw/zinc/99/37/63/354993763.db2.gz KIGBDXYPPWDZKH-NEPJUHHUSA-N 2 1 253.350 -0.115 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000580336380 354993766 /nfs/dbraw/zinc/99/37/66/354993766.db2.gz KIGBDXYPPWDZKH-NEPJUHHUSA-N 2 1 253.350 -0.115 20 0 CBADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000580413271 354995548 /nfs/dbraw/zinc/99/55/48/354995548.db2.gz AYWHJTRLRNQLEA-NWDGAFQWSA-N 2 1 270.377 -0.290 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000584466797 355030265 /nfs/dbraw/zinc/03/02/65/355030265.db2.gz LYSRTRHHYHKRMY-NSHDSACASA-N 2 1 280.376 -0.159 20 0 CBADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000584604264 355033742 /nfs/dbraw/zinc/03/37/42/355033742.db2.gz HQLWDHBTMYFYCF-UTUOFQBUSA-N 2 1 283.372 -0.181 20 0 CBADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000584604264 355033743 /nfs/dbraw/zinc/03/37/43/355033743.db2.gz HQLWDHBTMYFYCF-UTUOFQBUSA-N 2 1 283.372 -0.181 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000584839835 355039917 /nfs/dbraw/zinc/03/99/17/355039917.db2.gz JJFZBIOQTRCUHA-NWDGAFQWSA-N 2 1 275.418 -0.143 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000584839835 355039919 /nfs/dbraw/zinc/03/99/19/355039919.db2.gz JJFZBIOQTRCUHA-NWDGAFQWSA-N 2 1 275.418 -0.143 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000584839478 355039932 /nfs/dbraw/zinc/03/99/32/355039932.db2.gz AESBBMSADUYKQZ-ZDUSSCGKSA-N 2 1 268.405 -0.179 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000584839478 355039933 /nfs/dbraw/zinc/03/99/33/355039933.db2.gz AESBBMSADUYKQZ-ZDUSSCGKSA-N 3 1 268.405 -0.179 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000584839478 355039935 /nfs/dbraw/zinc/03/99/35/355039935.db2.gz AESBBMSADUYKQZ-ZDUSSCGKSA-N 3 1 268.405 -0.179 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000584871586 355040876 /nfs/dbraw/zinc/04/08/76/355040876.db2.gz HZLLJKPJOVOBFT-RISCZKNCSA-N 2 1 282.388 -0.411 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000584871586 355040878 /nfs/dbraw/zinc/04/08/78/355040878.db2.gz HZLLJKPJOVOBFT-RISCZKNCSA-N 2 1 282.388 -0.411 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000584871586 355040879 /nfs/dbraw/zinc/04/08/79/355040879.db2.gz HZLLJKPJOVOBFT-RISCZKNCSA-N 2 1 282.388 -0.411 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000584871585 355041003 /nfs/dbraw/zinc/04/10/03/355041003.db2.gz HZLLJKPJOVOBFT-FZMZJTMJSA-N 2 1 282.388 -0.411 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000584871585 355041005 /nfs/dbraw/zinc/04/10/05/355041005.db2.gz HZLLJKPJOVOBFT-FZMZJTMJSA-N 2 1 282.388 -0.411 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000584871585 355041007 /nfs/dbraw/zinc/04/10/07/355041007.db2.gz HZLLJKPJOVOBFT-FZMZJTMJSA-N 2 1 282.388 -0.411 20 0 CBADMP C[NH+]1CCN(C[C@H](O)C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000581365270 355005359 /nfs/dbraw/zinc/00/53/59/355005359.db2.gz KVXYUJROFVDNBB-HZPDHXFCSA-N 3 1 298.475 -0.084 20 0 CBADMP CN1CCN(C[C@H](O)C[NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000581365270 355005362 /nfs/dbraw/zinc/00/53/62/355005362.db2.gz KVXYUJROFVDNBB-HZPDHXFCSA-N 2 1 298.475 -0.084 20 0 CBADMP CN1CCN(C[C@H](O)C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000581365270 355005366 /nfs/dbraw/zinc/00/53/66/355005366.db2.gz KVXYUJROFVDNBB-HZPDHXFCSA-N 2 1 298.475 -0.084 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000582062768 355006240 /nfs/dbraw/zinc/00/62/40/355006240.db2.gz AINZPYZNBHPWGY-CYDGBPFRSA-N 2 1 296.415 -0.029 20 0 CBADMP COC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000581884272 355006376 /nfs/dbraw/zinc/00/63/76/355006376.db2.gz BWPYAOFFLLHMIT-STQMWFEESA-N 2 1 260.378 -0.324 20 0 CBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@H](C)CN1 ZINC000582062569 355006609 /nfs/dbraw/zinc/00/66/09/355006609.db2.gz OWSSRWMQDUEHGG-UPJWGTAASA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@H](C)CN1 ZINC000582062569 355006612 /nfs/dbraw/zinc/00/66/12/355006612.db2.gz OWSSRWMQDUEHGG-UPJWGTAASA-N 2 1 268.405 -0.134 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000582171582 355009432 /nfs/dbraw/zinc/00/94/32/355009432.db2.gz UHXYSBCUZPCTPV-CYBMUJFWSA-N 2 1 283.420 -0.374 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000582410566 355016349 /nfs/dbraw/zinc/01/63/49/355016349.db2.gz ZBTGSDNSVBYFQR-MDZLAQPJSA-N 2 1 294.399 -0.547 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000583500316 355018246 /nfs/dbraw/zinc/01/82/46/355018246.db2.gz SZTNPFRYJUWVBV-GARJFASQSA-N 2 1 282.388 -0.419 20 0 CBADMP NC(=O)NC(=O)CC[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000583564892 355020235 /nfs/dbraw/zinc/02/02/35/355020235.db2.gz IVFKHKAHDVGARS-JTQLQIEISA-N 2 1 272.349 -0.992 20 0 CBADMP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]CC1(F)F ZINC000583559477 355020269 /nfs/dbraw/zinc/02/02/69/355020269.db2.gz SKKXHGSXBUUYTL-RKDXNWHRSA-N 2 1 263.288 -0.664 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000583872462 355024086 /nfs/dbraw/zinc/02/40/86/355024086.db2.gz JXYRMNPUQUCUQU-CHWSQXEVSA-N 2 1 268.405 -0.180 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000583872462 355024089 /nfs/dbraw/zinc/02/40/89/355024089.db2.gz JXYRMNPUQUCUQU-CHWSQXEVSA-N 3 1 268.405 -0.180 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000583872462 355024092 /nfs/dbraw/zinc/02/40/92/355024092.db2.gz JXYRMNPUQUCUQU-CHWSQXEVSA-N 3 1 268.405 -0.180 20 0 CBADMP CCN1CC[NH+](CCC(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000583997107 355027117 /nfs/dbraw/zinc/02/71/17/355027117.db2.gz UDLBHSADFDSIOE-VXGBXAGGSA-N 2 1 256.394 -0.134 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000592552623 355162948 /nfs/dbraw/zinc/16/29/48/355162948.db2.gz AMTIKAMPKUBRHT-JGVFFNPUSA-N 2 1 279.287 -0.668 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000592047606 355128396 /nfs/dbraw/zinc/12/83/96/355128396.db2.gz ODTWNKSGMIAKMU-UWVGGRQHSA-N 2 1 257.334 -0.523 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000592135849 355133514 /nfs/dbraw/zinc/13/35/14/355133514.db2.gz DUSCXXIDRJJSFF-MNOVXSKESA-N 2 1 269.345 -0.523 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000592135849 355133519 /nfs/dbraw/zinc/13/35/19/355133519.db2.gz DUSCXXIDRJJSFF-MNOVXSKESA-N 2 1 269.345 -0.523 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000592418988 355153184 /nfs/dbraw/zinc/15/31/84/355153184.db2.gz ATCXAUSJAWMKNQ-IHRRRGAJSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)CC1 ZINC000593098900 355193965 /nfs/dbraw/zinc/19/39/65/355193965.db2.gz FEYRDIAUOOSVCB-ZKTNFTSUSA-N 2 1 285.413 -0.644 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)CC1 ZINC000593098900 355193970 /nfs/dbraw/zinc/19/39/70/355193970.db2.gz FEYRDIAUOOSVCB-ZKTNFTSUSA-N 2 1 285.413 -0.644 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)NCCC[N@@H+](C)CC(C)C ZINC000593912973 355229816 /nfs/dbraw/zinc/22/98/16/355229816.db2.gz VETOKHRVCIKUNU-NSHDSACASA-N 2 1 273.377 -0.029 20 0 CBADMP COC(=O)CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593730854 355217504 /nfs/dbraw/zinc/21/75/04/355217504.db2.gz IMKVAIVXKYWDOF-FZMZJTMJSA-N 2 1 283.372 -0.274 20 0 CBADMP COC(=O)CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593730854 355217505 /nfs/dbraw/zinc/21/75/05/355217505.db2.gz IMKVAIVXKYWDOF-FZMZJTMJSA-N 2 1 283.372 -0.274 20 0 CBADMP NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593728678 355217716 /nfs/dbraw/zinc/21/77/16/355217716.db2.gz CHUGURCVTJGPRM-GMTAPVOTSA-N 2 1 284.360 -0.458 20 0 CBADMP Cn1cc(CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000594875076 355265881 /nfs/dbraw/zinc/26/58/81/355265881.db2.gz QIODAJWAKSRNTB-VXGBXAGGSA-N 2 1 263.345 -0.794 20 0 CBADMP Cn1cc(CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000594875076 355265882 /nfs/dbraw/zinc/26/58/82/355265882.db2.gz QIODAJWAKSRNTB-VXGBXAGGSA-N 2 1 263.345 -0.794 20 0 CBADMP COC(=O)CCN1CCC[C@H]([N@H+](C)CCC[NH3+])C1=O ZINC000595889768 355314509 /nfs/dbraw/zinc/31/45/09/355314509.db2.gz CDRYOSGCIHIJLH-NSHDSACASA-N 2 1 271.361 -0.179 20 0 CBADMP COC(=O)CCN1CCC[C@H]([N@@H+](C)CCC[NH3+])C1=O ZINC000595889768 355314510 /nfs/dbraw/zinc/31/45/10/355314510.db2.gz CDRYOSGCIHIJLH-NSHDSACASA-N 2 1 271.361 -0.179 20 0 CBADMP COC(=O)CCN1CCC[C@@H]([N@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000595892807 355314810 /nfs/dbraw/zinc/31/48/10/355314810.db2.gz NYXAMXNCFOEBTD-VXGBXAGGSA-N 2 1 283.372 -0.179 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000595262841 355276182 /nfs/dbraw/zinc/27/61/82/355276182.db2.gz FOUQOPXRQCVEHA-SDDRHHMPSA-N 2 1 295.387 -0.966 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598684803 355450060 /nfs/dbraw/zinc/45/00/60/355450060.db2.gz ZEHPOODNVCFAFS-SKDRFNHKSA-N 2 1 254.334 -0.355 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598684803 355450062 /nfs/dbraw/zinc/45/00/62/355450062.db2.gz ZEHPOODNVCFAFS-SKDRFNHKSA-N 2 1 254.334 -0.355 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598680446 355449915 /nfs/dbraw/zinc/44/99/15/355449915.db2.gz BVCPOCNNUUOFNX-BXUZGUMPSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598680446 355449916 /nfs/dbraw/zinc/44/99/16/355449916.db2.gz BVCPOCNNUUOFNX-BXUZGUMPSA-N 2 1 283.372 -0.179 20 0 CBADMP CCn1cc(CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000598682062 355449952 /nfs/dbraw/zinc/44/99/52/355449952.db2.gz LCXVMTPCMAJKHY-STQMWFEESA-N 2 1 277.372 -0.311 20 0 CBADMP CCn1cc(CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000598682062 355449953 /nfs/dbraw/zinc/44/99/53/355449953.db2.gz LCXVMTPCMAJKHY-STQMWFEESA-N 2 1 277.372 -0.311 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598680449 355450145 /nfs/dbraw/zinc/45/01/45/355450145.db2.gz BVCPOCNNUUOFNX-SMDDNHRTSA-N 2 1 283.372 -0.179 20 0 CBADMP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598680449 355450148 /nfs/dbraw/zinc/45/01/48/355450148.db2.gz BVCPOCNNUUOFNX-SMDDNHRTSA-N 2 1 283.372 -0.179 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000601317591 355584441 /nfs/dbraw/zinc/58/44/41/355584441.db2.gz ZTRGGDJYLCJFOZ-AWEZNQCLSA-N 2 1 297.447 -0.127 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000331428432 291068961 /nfs/dbraw/zinc/06/89/61/291068961.db2.gz VNKLEOXSVJOLCF-QJPTWQEYSA-N 2 1 294.399 -0.323 20 0 CBADMP COC(=O)CCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000600712593 355562931 /nfs/dbraw/zinc/56/29/31/355562931.db2.gz YTGCWGVJKFRJLD-QWRGUYRKSA-N 2 1 271.361 -0.214 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)Cc1cnc(C(=O)OC)cn1 ZINC000600727754 355563040 /nfs/dbraw/zinc/56/30/40/355563040.db2.gz MEYPGOJBWSFKKA-UHFFFAOYSA-N 2 1 282.344 -0.069 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)Cc1cnc(C(=O)OC)cn1 ZINC000600727754 355563042 /nfs/dbraw/zinc/56/30/42/355563042.db2.gz MEYPGOJBWSFKKA-UHFFFAOYSA-N 2 1 282.344 -0.069 20 0 CBADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCOCC[NH3+] ZINC000600735363 355563630 /nfs/dbraw/zinc/56/36/30/355563630.db2.gz MHMZCYPBVFCCPY-VIFPVBQESA-N 2 1 272.349 -0.730 20 0 CBADMP COC(=O)[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H](C)O1 ZINC000600732120 355564128 /nfs/dbraw/zinc/56/41/28/355564128.db2.gz XEONJHOSRWIALQ-UTUOFQBUSA-N 2 1 284.356 -0.230 20 0 CBADMP COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H](C)O1 ZINC000600732120 355564133 /nfs/dbraw/zinc/56/41/33/355564133.db2.gz XEONJHOSRWIALQ-UTUOFQBUSA-N 2 1 284.356 -0.230 20 0 CBADMP C[C@@H](CNC(=O)CN1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000600992444 355574796 /nfs/dbraw/zinc/57/47/96/355574796.db2.gz RVOUKYNWBBYNEQ-LBPRGKRZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H](CNC(=O)CN1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000600992444 355574800 /nfs/dbraw/zinc/57/48/00/355574800.db2.gz RVOUKYNWBBYNEQ-LBPRGKRZSA-N 2 1 268.405 -0.167 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)CN1CC[NH+](C)CC1 ZINC000600998826 355575238 /nfs/dbraw/zinc/57/52/38/355575238.db2.gz CESJXRJLYWNYAW-UHFFFAOYSA-N 2 1 268.405 -0.212 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000602523699 355657730 /nfs/dbraw/zinc/65/77/30/355657730.db2.gz HMJKDVSWWDUIJT-TUAOUCFPSA-N 2 1 280.372 -0.759 20 0 CBADMP C[C@@H]1CC[C@H](C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)O1 ZINC000601965196 355621972 /nfs/dbraw/zinc/62/19/72/355621972.db2.gz WQDVBOPRCJWVQN-WRWGMCAJSA-N 2 1 253.346 -0.202 20 0 CBADMP C[C@@H]1CC[C@H](C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)O1 ZINC000601965196 355621976 /nfs/dbraw/zinc/62/19/76/355621976.db2.gz WQDVBOPRCJWVQN-WRWGMCAJSA-N 2 1 253.346 -0.202 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000602749895 355669256 /nfs/dbraw/zinc/66/92/56/355669256.db2.gz LMYLOLQELNHPGK-QWRGUYRKSA-N 2 1 269.345 -0.508 20 0 CBADMP COC(=O)CNC(=O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000602749895 355669259 /nfs/dbraw/zinc/66/92/59/355669259.db2.gz LMYLOLQELNHPGK-QWRGUYRKSA-N 2 1 269.345 -0.508 20 0 CBADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000602021601 355625609 /nfs/dbraw/zinc/62/56/09/355625609.db2.gz QBRBGDXOUZPRLV-GRYCIOLGSA-N 3 1 254.378 -0.539 20 0 CBADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000602021601 355625612 /nfs/dbraw/zinc/62/56/12/355625612.db2.gz QBRBGDXOUZPRLV-GRYCIOLGSA-N 3 1 254.378 -0.539 20 0 CBADMP COC(=O)CCN1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000603434025 355716197 /nfs/dbraw/zinc/71/61/97/355716197.db2.gz OUEOCKNFBGROEK-DCAQKATOSA-N 2 1 283.372 -0.134 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000612544389 355839475 /nfs/dbraw/zinc/83/94/75/355839475.db2.gz BXROSQDPTXBMDJ-CYBMUJFWSA-N 2 1 298.431 -0.003 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000612546183 355840325 /nfs/dbraw/zinc/84/03/25/355840325.db2.gz PSIWGSYJWQDVNR-GFCCVEGCSA-N 2 1 284.404 -0.393 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000612864128 355853263 /nfs/dbraw/zinc/85/32/63/355853263.db2.gz JGKZXNDCTGGRJZ-AWEZNQCLSA-N 2 1 297.403 -0.798 20 0 CBADMP C[C@]1(NC(=O)NCCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000612866435 355853432 /nfs/dbraw/zinc/85/34/32/355853432.db2.gz UBBLHLYEWRLINP-ZDUSSCGKSA-N 2 1 270.377 -0.240 20 0 CBADMP C[C@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)[C@H]1C[N@H+](C)CCO1 ZINC000612898670 355855634 /nfs/dbraw/zinc/85/56/34/355855634.db2.gz ZDMMQLZFZBUHTF-LOWVWBTDSA-N 2 1 270.377 -0.243 20 0 CBADMP C[C@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)[C@H]1C[N@@H+](C)CCO1 ZINC000612898670 355855638 /nfs/dbraw/zinc/85/56/38/355855638.db2.gz ZDMMQLZFZBUHTF-LOWVWBTDSA-N 2 1 270.377 -0.243 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612972013 355858703 /nfs/dbraw/zinc/85/87/03/355858703.db2.gz RFRAAMXDXJUWQI-OLZOCXBDSA-N 2 1 295.431 -0.327 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612987885 355859468 /nfs/dbraw/zinc/85/94/68/355859468.db2.gz RHTRAHUJUVZOGE-CHWSQXEVSA-N 2 1 296.415 -0.164 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612987885 355859470 /nfs/dbraw/zinc/85/94/70/355859470.db2.gz RHTRAHUJUVZOGE-CHWSQXEVSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000614065616 355932948 /nfs/dbraw/zinc/93/29/48/355932948.db2.gz QTVDELQSKGJEGS-TZMCWYRMSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000614068453 355933692 /nfs/dbraw/zinc/93/36/92/355933692.db2.gz NJTBZRNDUHZPSQ-JSGCOSHPSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H](CO)C[NH+](C)C ZINC000614847673 355988828 /nfs/dbraw/zinc/98/88/28/355988828.db2.gz NEGJIBLJBKEUPU-TUAOUCFPSA-N 2 1 257.378 -0.102 20 0 CBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)CC2 ZINC000614848045 355990494 /nfs/dbraw/zinc/99/04/94/355990494.db2.gz OILMYBADMMCCPO-NWDGAFQWSA-N 2 1 280.372 -0.207 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000614505409 355963689 /nfs/dbraw/zinc/96/36/89/355963689.db2.gz NNGXZUPNCPARJG-STQMWFEESA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000614505409 355963694 /nfs/dbraw/zinc/96/36/94/355963694.db2.gz NNGXZUPNCPARJG-STQMWFEESA-N 2 1 266.389 -0.556 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000614505409 355963699 /nfs/dbraw/zinc/96/36/99/355963699.db2.gz NNGXZUPNCPARJG-STQMWFEESA-N 2 1 266.389 -0.556 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000614502677 355964232 /nfs/dbraw/zinc/96/42/32/355964232.db2.gz LMGDMRUCEFRKSF-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614502677 355964234 /nfs/dbraw/zinc/96/42/34/355964234.db2.gz LMGDMRUCEFRKSF-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614502677 355964236 /nfs/dbraw/zinc/96/42/36/355964236.db2.gz LMGDMRUCEFRKSF-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000614505811 355965564 /nfs/dbraw/zinc/96/55/64/355965564.db2.gz BADSEKBYWSAUHC-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614505811 355965569 /nfs/dbraw/zinc/96/55/69/355965569.db2.gz BADSEKBYWSAUHC-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP CCC[NH+](C)CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614505811 355965572 /nfs/dbraw/zinc/96/55/72/355965572.db2.gz BADSEKBYWSAUHC-ZDUSSCGKSA-N 2 1 268.405 -0.166 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)[NH+](C)C ZINC000614508963 355967106 /nfs/dbraw/zinc/96/71/06/355967106.db2.gz YREUBKXSTHASOX-RYUDHWBXSA-N 2 1 254.378 -0.557 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000615141918 356011406 /nfs/dbraw/zinc/01/14/06/356011406.db2.gz STNHCIWDMPXKIW-CYBMUJFWSA-N 2 1 267.373 -0.271 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000615141918 356011409 /nfs/dbraw/zinc/01/14/09/356011409.db2.gz STNHCIWDMPXKIW-CYBMUJFWSA-N 2 1 267.373 -0.271 20 0 CBADMP CN(Cc1c[nH]cn1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000616927028 356115982 /nfs/dbraw/zinc/11/59/82/356115982.db2.gz YQENSEKQKMZGME-LBPRGKRZSA-N 2 1 263.345 -0.242 20 0 CBADMP CN(Cc1cnc[nH]1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000616927028 356115984 /nfs/dbraw/zinc/11/59/84/356115984.db2.gz YQENSEKQKMZGME-LBPRGKRZSA-N 2 1 263.345 -0.242 20 0 CBADMP CN(Cc1cnc[nH]1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000616927028 356115985 /nfs/dbraw/zinc/11/59/85/356115985.db2.gz YQENSEKQKMZGME-LBPRGKRZSA-N 2 1 263.345 -0.242 20 0 CBADMP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000617764200 356155595 /nfs/dbraw/zinc/15/55/95/356155595.db2.gz MKRJNBNPLIUVIZ-CYBMUJFWSA-N 2 1 270.421 -0.062 20 0 CBADMP CCN(C(=O)[C@H]1C[NH+]2CCN1CCC2)[C@@H]1CC[N@@H+](C)C1 ZINC000617553682 356142145 /nfs/dbraw/zinc/14/21/45/356142145.db2.gz NXZJSFVEYOIWHC-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP CCN(C(=O)[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CC[NH+](C)C1 ZINC000617553682 356142147 /nfs/dbraw/zinc/14/21/47/356142147.db2.gz NXZJSFVEYOIWHC-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP CCN(C(=O)[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1CC[NH+](C)C1 ZINC000617553682 356142153 /nfs/dbraw/zinc/14/21/53/356142153.db2.gz NXZJSFVEYOIWHC-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000619900857 356231173 /nfs/dbraw/zinc/23/11/73/356231173.db2.gz ZGDZPYGEZMCWBO-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000619900857 356231176 /nfs/dbraw/zinc/23/11/76/356231176.db2.gz ZGDZPYGEZMCWBO-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000619900857 356231178 /nfs/dbraw/zinc/23/11/78/356231178.db2.gz ZGDZPYGEZMCWBO-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000619900857 356231180 /nfs/dbraw/zinc/23/11/80/356231180.db2.gz ZGDZPYGEZMCWBO-RYUDHWBXSA-N 2 1 255.362 -0.083 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)[C@H]2C1 ZINC000332291531 283144429 /nfs/dbraw/zinc/14/44/29/283144429.db2.gz TVDPMYKGDJORLF-XQQFMLRXSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)NCCC[NH+]1CCOCC1 ZINC000621837614 356288648 /nfs/dbraw/zinc/28/86/48/356288648.db2.gz MJFYQJRFHLWUEH-NSHDSACASA-N 2 1 258.366 -0.255 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)C1CC1 ZINC000621839031 356289239 /nfs/dbraw/zinc/28/92/39/356289239.db2.gz MWLGLXLBHQYBGL-NHYWBVRUSA-N 2 1 294.399 -0.463 20 0 CBADMP CC(C)C[NH+]1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000623831614 356378664 /nfs/dbraw/zinc/37/86/64/356378664.db2.gz PFQXSRYZEKOKRW-UHFFFAOYSA-N 2 1 265.365 -0.349 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNc2nc(N)[nH+]c(N)n2)C1 ZINC000623861453 356379596 /nfs/dbraw/zinc/37/95/96/356379596.db2.gz YNOSHXIUDVFJLD-MRVPVSSYSA-N 2 1 251.338 -0.738 20 0 CBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1nc(N)[nH+]c(N)n1 ZINC000623887406 356380959 /nfs/dbraw/zinc/38/09/59/356380959.db2.gz AYPVJHOPUIWLIR-KXUCPTDWSA-N 2 1 279.392 -0.103 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623901825 356380997 /nfs/dbraw/zinc/38/09/97/356380997.db2.gz SUKOZQPIYULYQT-QMMMGPOBSA-N 2 1 251.338 -0.739 20 0 CBADMP CC(C)[N@@H+]1CC[C@@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623901825 356380999 /nfs/dbraw/zinc/38/09/99/356380999.db2.gz SUKOZQPIYULYQT-QMMMGPOBSA-N 2 1 251.338 -0.739 20 0 CBADMP CC(C)[N@H+]1CC[C@@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623901825 356381002 /nfs/dbraw/zinc/38/10/02/356381002.db2.gz SUKOZQPIYULYQT-QMMMGPOBSA-N 2 1 251.338 -0.739 20 0 CBADMP CCC[N@H+]1CC[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623885095 356381512 /nfs/dbraw/zinc/38/15/12/356381512.db2.gz QCVXDDJHKYEPKR-MRVPVSSYSA-N 2 1 251.338 -0.738 20 0 CBADMP CCC[N@@H+]1CC[C@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623885095 356381516 /nfs/dbraw/zinc/38/15/16/356381516.db2.gz QCVXDDJHKYEPKR-MRVPVSSYSA-N 2 1 251.338 -0.738 20 0 CBADMP CCC[N@H+]1CC[C@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623885095 356381520 /nfs/dbraw/zinc/38/15/20/356381520.db2.gz QCVXDDJHKYEPKR-MRVPVSSYSA-N 2 1 251.338 -0.738 20 0 CBADMP CC[C@@H]1CCCC[N@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000623970244 356385752 /nfs/dbraw/zinc/38/57/52/356385752.db2.gz JETWXOWJIANXHO-SECBINFHSA-N 2 1 265.365 -0.205 20 0 CBADMP CC[NH+]1CCC(CCNc2nc(N)nc(N)[nH+]2)CC1 ZINC000623997591 356388224 /nfs/dbraw/zinc/38/82/24/356388224.db2.gz RNKGXGSXZFYYEA-UHFFFAOYSA-N 2 1 265.365 -0.347 20 0 CBADMP C[C@@H]1C[N@H+](CCCCNc2nc(N)[nH+]c(N)n2)C[C@H](C)O1 ZINC000624027359 356390270 /nfs/dbraw/zinc/39/02/70/356390270.db2.gz QSVPDMSLKVJNQC-AOOOYVTPSA-N 2 1 295.391 -0.580 20 0 CBADMP C[NH+]1CCC([C@@H]2CCN(c3nc(N)nc(N)[nH+]3)C2)CC1 ZINC000624065106 356395793 /nfs/dbraw/zinc/39/57/93/356395793.db2.gz XEQQLIUZFIWQJZ-SNVBAGLBSA-N 2 1 277.376 -0.135 20 0 CBADMP Nc1nc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)nc(N)[nH+]1 ZINC000624375461 356415100 /nfs/dbraw/zinc/41/51/00/356415100.db2.gz QQNKDVMLDVIJKJ-BDAKNGLRSA-N 2 1 263.349 -0.453 20 0 CBADMP Nc1nc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)nc(N)[nH+]1 ZINC000624399484 356418060 /nfs/dbraw/zinc/41/80/60/356418060.db2.gz NPTPPJGHRCOIKL-SECBINFHSA-N 2 1 277.376 -0.062 20 0 CBADMP C[NH+]1CCC2(CCN(c3nc(N)nc(N)[nH+]3)C2)CC1 ZINC000624231803 356406343 /nfs/dbraw/zinc/40/63/43/356406343.db2.gz LIUBZKCWWGVNMO-UHFFFAOYSA-N 2 1 263.349 -0.381 20 0 CBADMP Cc1c[nH+]cn1CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000626248732 356521720 /nfs/dbraw/zinc/52/17/20/356521720.db2.gz YHPQMNIFGOPHBP-GFCCVEGCSA-N 2 1 254.334 -0.380 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626939028 356557776 /nfs/dbraw/zinc/55/77/76/356557776.db2.gz PKQCPKHYOYJBDI-LBPRGKRZSA-N 2 1 288.392 -0.758 20 0 CBADMP C[NH2+]CCOCCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000626945582 356558776 /nfs/dbraw/zinc/55/87/76/356558776.db2.gz KJBIDVNJDRBCLI-LLVKDONJSA-N 2 1 258.366 -0.384 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626946097 356559205 /nfs/dbraw/zinc/55/92/05/356559205.db2.gz RNQGDJBOBQJXRL-NSHDSACASA-N 2 1 270.377 -0.112 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626942828 356559239 /nfs/dbraw/zinc/55/92/39/356559239.db2.gz SLKRMWVIYMTIJU-GFCCVEGCSA-N 2 1 281.360 -0.131 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)N(C)CCOCC[NH3+] ZINC000626961172 356559621 /nfs/dbraw/zinc/55/96/21/356559621.db2.gz SZSCWHRWZMXQBC-UHFFFAOYSA-N 2 1 269.349 -0.192 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626961339 356559780 /nfs/dbraw/zinc/55/97/80/356559780.db2.gz ZDJJMAURAHXZBN-NSHDSACASA-N 2 1 267.333 -0.521 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626973353 356561573 /nfs/dbraw/zinc/56/15/73/356561573.db2.gz YNVFAXVBMBJTDI-FRRDWIJNSA-N 2 1 283.420 -0.328 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626986580 356563166 /nfs/dbraw/zinc/56/31/66/356563166.db2.gz KGQPDXHSRZXHBF-GFCCVEGCSA-N 2 1 288.392 -0.758 20 0 CBADMP CCN(CC[NH3+])C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000626983625 356563339 /nfs/dbraw/zinc/56/33/39/356563339.db2.gz QUAJZJNNWRACEX-LBPRGKRZSA-N 2 1 272.393 -0.055 20 0 CBADMP C[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)CN1CC[NH+](C)CC1 ZINC000626987150 356563562 /nfs/dbraw/zinc/56/35/62/356563562.db2.gz YXGBUOBZBDQVJT-HZSPNIEDSA-N 2 1 297.447 -0.081 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@H]1CCC[NH2+]1 ZINC000627073736 356574482 /nfs/dbraw/zinc/57/44/82/356574482.db2.gz KNTUPWUZWYRIFK-GHMZBOCLSA-N 2 1 256.350 -0.896 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627076959 356575522 /nfs/dbraw/zinc/57/55/22/356575522.db2.gz NRASSESHDUUSNH-QWRGUYRKSA-N 2 1 258.366 -0.665 20 0 CBADMP [NH3+]C1(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)CCC1 ZINC000627083835 356578281 /nfs/dbraw/zinc/57/82/81/356578281.db2.gz MMIIFFNKMMZAES-JTQLQIEISA-N 2 1 256.350 -0.766 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NCC1([NH3+])CCOCC1 ZINC000627084901 356578758 /nfs/dbraw/zinc/57/87/58/356578758.db2.gz MZHRFRGPMVDGIW-UHFFFAOYSA-N 2 1 266.292 -0.613 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627086151 356579286 /nfs/dbraw/zinc/57/92/86/356579286.db2.gz IXTMLCSLJPGBHR-IJLUTSLNSA-N 2 1 270.377 -0.650 20 0 CBADMP [NH3+][C@H]1CCC[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000627087416 356579668 /nfs/dbraw/zinc/57/96/68/356579668.db2.gz JMKHLAFQSNDUKZ-QJPTWQEYSA-N 2 1 270.377 -0.378 20 0 CBADMP [NH3+][C@H]1CCC[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000627087418 356579959 /nfs/dbraw/zinc/57/99/59/356579959.db2.gz JMKHLAFQSNDUKZ-SDDRHHMPSA-N 2 1 270.377 -0.378 20 0 CBADMP C[NH2+]CCOCCNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000627174463 356594338 /nfs/dbraw/zinc/59/43/38/356594338.db2.gz OQQCZNXWCJAOML-STQMWFEESA-N 2 1 284.404 -0.042 20 0 CBADMP [NH3+]C[C@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)C1CCCC1 ZINC000627090786 356581749 /nfs/dbraw/zinc/58/17/49/356581749.db2.gz ZNJSWTNDFLVYEN-OLZOCXBDSA-N 2 1 284.404 -0.130 20 0 CBADMP C[C@H](CCCC[NH3+])NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627093895 356582342 /nfs/dbraw/zinc/58/23/42/356582342.db2.gz VJRJIYCUROFCTR-VXGBXAGGSA-N 2 1 272.393 -0.130 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000627107352 356584648 /nfs/dbraw/zinc/58/46/48/356584648.db2.gz XRAAFQPRLAOADS-IGQOVBAYSA-N 2 1 296.415 -0.260 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627246037 356610913 /nfs/dbraw/zinc/61/09/13/356610913.db2.gz IAIPQKHWZZEURN-GARJFASQSA-N 2 1 256.350 -0.897 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000627243865 356610976 /nfs/dbraw/zinc/61/09/76/356610976.db2.gz XNXAZPOWXWPLRY-ZDEQEGDKSA-N 2 1 284.404 -0.167 20 0 CBADMP C[N@@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627248825 356611863 /nfs/dbraw/zinc/61/18/63/356611863.db2.gz CXFDNZKJAWKDQB-GFCCVEGCSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627250366 356613211 /nfs/dbraw/zinc/61/32/11/356613211.db2.gz JEMLOFHIZWDFDB-QWHCGFSZSA-N 2 1 283.420 -0.327 20 0 CBADMP CC1(C)CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1CCO ZINC000627250738 356613308 /nfs/dbraw/zinc/61/33/08/356613308.db2.gz CHBSAPLSOLQPBE-LLVKDONJSA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000627250756 356613826 /nfs/dbraw/zinc/61/38/26/356613826.db2.gz CZTIEBFMYDWUEP-QJPTWQEYSA-N 2 1 270.377 -0.555 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000627251754 356614155 /nfs/dbraw/zinc/61/41/55/356614155.db2.gz ZIOKEEBWPUHPFM-NEPJUHHUSA-N 2 1 270.377 -0.506 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C[NH2+]1 ZINC000627207729 356605036 /nfs/dbraw/zinc/60/50/36/356605036.db2.gz DELPIAAWEXTADZ-IJLUTSLNSA-N 2 1 270.377 -0.507 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C[NH2+]1 ZINC000627207834 356605213 /nfs/dbraw/zinc/60/52/13/356605213.db2.gz DELPIAAWEXTADZ-WOPDTQHZSA-N 2 1 270.377 -0.507 20 0 CBADMP COCC[NH+]1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627211080 356605772 /nfs/dbraw/zinc/60/57/72/356605772.db2.gz AUZRMECASAGHDW-UHFFFAOYSA-N 2 1 288.392 -0.675 20 0 CBADMP C[C@@H]1CC[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627210901 356605836 /nfs/dbraw/zinc/60/58/36/356605836.db2.gz XNEXIRVCYPSOJE-FVCCEPFGSA-N 2 1 282.388 -0.413 20 0 CBADMP C[C@H]1CC[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627210904 356605884 /nfs/dbraw/zinc/60/58/84/356605884.db2.gz XNEXIRVCYPSOJE-ZDEQEGDKSA-N 2 1 282.388 -0.413 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627349362 356630322 /nfs/dbraw/zinc/63/03/22/356630322.db2.gz LPJBSSFDQMDHFD-YRRQLQLVSA-N 2 1 294.399 -0.548 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000627349574 356630393 /nfs/dbraw/zinc/63/03/93/356630393.db2.gz SCPYJLAAXYTQPN-ZYHUDNBSSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[N@H+]1C1CC1 ZINC000627349795 356630766 /nfs/dbraw/zinc/63/07/66/356630766.db2.gz ZJHDILZHZVKPIS-MRBYEJRBSA-N 2 1 294.399 -0.406 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[N@H+]1C1CC1 ZINC000627349793 356630898 /nfs/dbraw/zinc/63/08/98/356630898.db2.gz ZJHDILZHZVKPIS-MEWQQHAOSA-N 2 1 294.399 -0.406 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000627364963 356632494 /nfs/dbraw/zinc/63/24/94/356632494.db2.gz BIKDPFKJNDKGHI-UHFFFAOYSA-N 2 1 270.377 -0.606 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000627258203 356616575 /nfs/dbraw/zinc/61/65/75/356616575.db2.gz WOVVWYZDGLJZIQ-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627258203 356616579 /nfs/dbraw/zinc/61/65/79/356616579.db2.gz WOVVWYZDGLJZIQ-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627258203 356616582 /nfs/dbraw/zinc/61/65/82/356616582.db2.gz WOVVWYZDGLJZIQ-QWHCGFSZSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@H](C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000627258749 356616761 /nfs/dbraw/zinc/61/67/61/356616761.db2.gz GPFUKRFWVZOCBB-SDDRHHMPSA-N 2 1 255.362 -0.396 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+]3CC[C@H](O)C3)C2)CC[N@H+]1C ZINC000627270196 356618436 /nfs/dbraw/zinc/61/84/36/356618436.db2.gz DNEXGOQTTSIAGU-ZOBORPQBSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)CC[NH+]1C ZINC000627270196 356618440 /nfs/dbraw/zinc/61/84/40/356618440.db2.gz DNEXGOQTTSIAGU-ZOBORPQBSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)CC[NH+]1C ZINC000627270196 356618443 /nfs/dbraw/zinc/61/84/43/356618443.db2.gz DNEXGOQTTSIAGU-ZOBORPQBSA-N 2 1 281.400 -0.006 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[N@@H+](C)C1CC1 ZINC000627372410 356635213 /nfs/dbraw/zinc/63/52/13/356635213.db2.gz LLTGRLYDALVCEY-JFGNBEQYSA-N 2 1 282.388 -0.548 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000627304626 356622820 /nfs/dbraw/zinc/62/28/20/356622820.db2.gz AKEPSIGKPVDQJJ-MROQNXINSA-N 2 1 296.415 -0.158 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000627325629 356626325 /nfs/dbraw/zinc/62/63/25/356626325.db2.gz PONAMHVWDRIESQ-JTQLQIEISA-N 2 1 268.361 -0.854 20 0 CBADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[NH2+]1 ZINC000627325453 356626511 /nfs/dbraw/zinc/62/65/11/356626511.db2.gz KPLYJAQLZBWJRB-GRYCIOLGSA-N 2 1 294.399 -0.404 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000627425240 356644398 /nfs/dbraw/zinc/64/43/98/356644398.db2.gz IZEVYQFQXKHYLK-STQMWFEESA-N 2 1 296.415 -0.073 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000627425234 356644989 /nfs/dbraw/zinc/64/49/89/356644989.db2.gz IXKCTUYCXQEEAO-UPJWGTAASA-N 2 1 294.399 -0.402 20 0 CBADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000627425231 356645017 /nfs/dbraw/zinc/64/50/17/356645017.db2.gz IXKCTUYCXQEEAO-AGIUHOORSA-N 2 1 294.399 -0.402 20 0 CBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000627458470 356649331 /nfs/dbraw/zinc/64/93/31/356649331.db2.gz HFBJZTDAIJUINY-FRRDWIJNSA-N 2 1 296.415 -0.156 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000627380656 356636080 /nfs/dbraw/zinc/63/60/80/356636080.db2.gz VQGNMSNYMLRTCL-GFCCVEGCSA-N 2 1 282.388 -0.606 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000627398676 356639065 /nfs/dbraw/zinc/63/90/65/356639065.db2.gz TWANVDXTVMUFGA-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)[C@H]2C1 ZINC000627504549 356660354 /nfs/dbraw/zinc/66/03/54/356660354.db2.gz UPHVZUMVDOKGGB-UTUOFQBUSA-N 2 1 280.372 -0.983 20 0 CBADMP C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C[NH2+]1 ZINC000627476709 356653432 /nfs/dbraw/zinc/65/34/32/356653432.db2.gz JYVNWWKDGXMRCF-NWDGAFQWSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000627499246 356658199 /nfs/dbraw/zinc/65/81/99/356658199.db2.gz DUDSENBYVZSCMG-RVMXOQNASA-N 2 1 294.399 -0.594 20 0 CBADMP 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 356658914 /nfs/dbraw/zinc/65/89/14/356658914.db2.gz RXDLVGDSVNYBSD-YVECIDJPSA-N 2 1 296.415 -0.206 20 0 CBADMP 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 356659042 /nfs/dbraw/zinc/65/90/42/356659042.db2.gz UJRNJJNUSPKACK-RVMXOQNASA-N 2 1 296.415 -0.348 20 0 CBADMP 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 356659254 /nfs/dbraw/zinc/65/92/54/356659254.db2.gz UJRNJJNUSPKACK-XQHKEYJVSA-N 2 1 296.415 -0.348 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000627503115 356659700 /nfs/dbraw/zinc/65/97/00/356659700.db2.gz ZHLPQALISHRWEP-CMPLNLGQSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000627651175 356667679 /nfs/dbraw/zinc/66/76/79/356667679.db2.gz HZLCQKJHLBKGTC-QNWHQSFQSA-N 2 1 267.373 -0.275 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000627651175 356667682 /nfs/dbraw/zinc/66/76/82/356667682.db2.gz HZLCQKJHLBKGTC-QNWHQSFQSA-N 2 1 267.373 -0.275 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000628584782 356714092 /nfs/dbraw/zinc/71/40/92/356714092.db2.gz YWNVSRLUKYJVDO-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000628584782 356714096 /nfs/dbraw/zinc/71/40/96/356714096.db2.gz YWNVSRLUKYJVDO-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000628584782 356714099 /nfs/dbraw/zinc/71/40/99/356714099.db2.gz YWNVSRLUKYJVDO-QWHCGFSZSA-N 2 1 296.415 -0.073 20 0 CBADMP O=C1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CN1C1CC1 ZINC000629566076 356781144 /nfs/dbraw/zinc/78/11/44/356781144.db2.gz SBGMKBTXKOLSHW-WCQYABFASA-N 2 1 267.373 -0.204 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CCCS(=O)(=O)N(C)C ZINC000629570525 356781159 /nfs/dbraw/zinc/78/11/59/356781159.db2.gz CZYNLAGYFQXNQL-UHFFFAOYSA-N 2 1 281.422 -0.564 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000629165776 356748845 /nfs/dbraw/zinc/74/88/45/356748845.db2.gz DKOOWXQKHZITCE-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000629165776 356748847 /nfs/dbraw/zinc/74/88/47/356748847.db2.gz DKOOWXQKHZITCE-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCC[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000629165776 356748848 /nfs/dbraw/zinc/74/88/48/356748848.db2.gz DKOOWXQKHZITCE-IJLUTSLNSA-N 2 1 255.362 -0.491 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000629171816 356752402 /nfs/dbraw/zinc/75/24/02/356752402.db2.gz JIGWNAFJOSITFA-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629171816 356752405 /nfs/dbraw/zinc/75/24/05/356752405.db2.gz JIGWNAFJOSITFA-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCCC[C@H]1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629171816 356752407 /nfs/dbraw/zinc/75/24/07/356752407.db2.gz JIGWNAFJOSITFA-NEPJUHHUSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000629566416 356780643 /nfs/dbraw/zinc/78/06/43/356780643.db2.gz KEZPHSSNFRLBRN-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000629566416 356780645 /nfs/dbraw/zinc/78/06/45/356780645.db2.gz KEZPHSSNFRLBRN-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CCNC(=O)N1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629568055 356780925 /nfs/dbraw/zinc/78/09/25/356780925.db2.gz IJNMPUKWIQNDPU-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H](NCCC[N@@H+]1CCC[C@H]1C(N)=O)C1C[NH2+]C1 ZINC000629515543 356775650 /nfs/dbraw/zinc/77/56/50/356775650.db2.gz RLYVMLAPHSHLIB-PWSUYJOCSA-N 2 1 254.378 -0.476 20 0 CBADMP C[C@@H](NCCC[N@H+]1CCC[C@H]1C(N)=O)C1C[NH2+]C1 ZINC000629515543 356775655 /nfs/dbraw/zinc/77/56/55/356775655.db2.gz RLYVMLAPHSHLIB-PWSUYJOCSA-N 2 1 254.378 -0.476 20 0 CBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCOCC1 ZINC000629569269 356781060 /nfs/dbraw/zinc/78/10/60/356781060.db2.gz VYOUXEUXTMZVLG-UHFFFAOYSA-N 2 1 259.350 -0.987 20 0 CBADMP C[C@H]1CC[NH2+]C[C@H]1NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629515698 356775775 /nfs/dbraw/zinc/77/57/75/356775775.db2.gz UJOJDUJXWUVCEB-XQQFMLRXSA-N 2 1 268.405 -0.086 20 0 CBADMP COc1cncc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000629514441 356776129 /nfs/dbraw/zinc/77/61/29/356776129.db2.gz ZWJQWYLYWOCTOF-NSHDSACASA-N 2 1 293.371 -0.228 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000629569269 356781062 /nfs/dbraw/zinc/78/10/62/356781062.db2.gz VYOUXEUXTMZVLG-UHFFFAOYSA-N 2 1 259.350 -0.987 20 0 CBADMP C[N@@H+](C[C@@H](O)CNCC[NH+]1CC[C@H](O)C1)C1CC1 ZINC000629618013 356787961 /nfs/dbraw/zinc/78/79/61/356787961.db2.gz RWEAJSWVRXJDID-STQMWFEESA-N 2 1 257.378 -0.902 20 0 CBADMP C[NH+](C[C@@H](O)CNCC[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000629618013 356787966 /nfs/dbraw/zinc/78/79/66/356787966.db2.gz RWEAJSWVRXJDID-STQMWFEESA-N 2 1 257.378 -0.902 20 0 CBADMP C[NH+](C[C@@H](O)CNCC[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000629618013 356787969 /nfs/dbraw/zinc/78/79/69/356787969.db2.gz RWEAJSWVRXJDID-STQMWFEESA-N 2 1 257.378 -0.902 20 0 CBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000629653791 356788799 /nfs/dbraw/zinc/78/87/99/356788799.db2.gz NRPHYCDRGUJGSO-ZDUSSCGKSA-N 3 1 286.420 -0.649 20 0 CBADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](CC(N)=O)C2)CC[NH2+]1 ZINC000629666883 356789329 /nfs/dbraw/zinc/78/93/29/356789329.db2.gz RXIYXKPZASEQBW-WOPDTQHZSA-N 2 1 255.362 -0.049 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000629790292 356793381 /nfs/dbraw/zinc/79/33/81/356793381.db2.gz CPVHNJXQEOOZQG-GFCCVEGCSA-N 2 1 284.404 -0.406 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000629798034 356795381 /nfs/dbraw/zinc/79/53/81/356795381.db2.gz HVVORXFIYQYTJA-NEPJUHHUSA-N 2 1 282.388 -0.511 20 0 CBADMP CCN(CC[NH3+])C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000629801520 356796588 /nfs/dbraw/zinc/79/65/88/356796588.db2.gz HAIIYUSYCXBSFW-UHFFFAOYSA-N 2 1 270.377 -0.654 20 0 CBADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629915165 356806528 /nfs/dbraw/zinc/80/65/28/356806528.db2.gz PSDKTFBMOJGRJA-OLZOCXBDSA-N 2 1 285.388 -0.863 20 0 CBADMP C[NH+](C)Cc1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)cn1 ZINC000629915580 356807320 /nfs/dbraw/zinc/80/73/20/356807320.db2.gz CTBLUJZAXHTUGO-AWEZNQCLSA-N 2 1 292.383 -0.060 20 0 CBADMP C[C@@H](O)CN1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629958299 356812451 /nfs/dbraw/zinc/81/24/51/356812451.db2.gz LHJLECOEZPYGJK-GFCCVEGCSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCC1 ZINC000630002093 356815138 /nfs/dbraw/zinc/81/51/38/356815138.db2.gz OSAXQHOTYCZXCP-LBPRGKRZSA-N 2 1 266.389 -0.365 20 0 CBADMP C[NH2+]C1(CNC(=O)CN2CC[NH+](C)CC2)CCC1 ZINC000630000661 356815162 /nfs/dbraw/zinc/81/51/62/356815162.db2.gz OHDIYGJPSSIAOC-UHFFFAOYSA-N 2 1 254.378 -0.508 20 0 CBADMP OCCC[N@H+]1CCC[C@@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000629583878 356784015 /nfs/dbraw/zinc/78/40/15/356784015.db2.gz JWDBIXKBPHEVSM-CABCVRRESA-N 2 1 285.432 -0.121 20 0 CBADMP OCCC[N@H+]1CCC[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629583880 356784202 /nfs/dbraw/zinc/78/42/02/356784202.db2.gz JWDBIXKBPHEVSM-HUUCEWRRSA-N 2 1 285.432 -0.121 20 0 CBADMP C[N@@H+](C[C@H](O)CNCCC[NH+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000629601247 356784798 /nfs/dbraw/zinc/78/47/98/356784798.db2.gz BESVRHGZYDEKEN-KGLIPLIRSA-N 2 1 298.431 -0.629 20 0 CBADMP C[NH+](C[C@H](O)CNCCC[N@@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000629601247 356784800 /nfs/dbraw/zinc/78/48/00/356784800.db2.gz BESVRHGZYDEKEN-KGLIPLIRSA-N 2 1 298.431 -0.629 20 0 CBADMP C[NH+](C[C@H](O)CNCCC[N@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000629601247 356784804 /nfs/dbraw/zinc/78/48/04/356784804.db2.gz BESVRHGZYDEKEN-KGLIPLIRSA-N 2 1 298.431 -0.629 20 0 CBADMP CN1CCOC[C@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000629599883 356784925 /nfs/dbraw/zinc/78/49/25/356784925.db2.gz NWXDFMBMIIXSSH-OLZOCXBDSA-N 2 1 257.378 -0.638 20 0 CBADMP CN1CCOC[C@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000629599883 356784927 /nfs/dbraw/zinc/78/49/27/356784927.db2.gz NWXDFMBMIIXSSH-OLZOCXBDSA-N 2 1 257.378 -0.638 20 0 CBADMP COC[C@]1(C)C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000629594383 356785176 /nfs/dbraw/zinc/78/51/76/356785176.db2.gz BQRKAUORBDVZKI-ZDUSSCGKSA-N 2 1 257.378 -0.371 20 0 CBADMP COC[C@]1(C)C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000629594383 356785177 /nfs/dbraw/zinc/78/51/77/356785177.db2.gz BQRKAUORBDVZKI-ZDUSSCGKSA-N 2 1 257.378 -0.371 20 0 CBADMP CN1CCOC[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629600080 356785223 /nfs/dbraw/zinc/78/52/23/356785223.db2.gz RHLVXQSGWKWINI-STQMWFEESA-N 2 1 257.378 -0.637 20 0 CBADMP CC[C@@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+](C)C ZINC000629612248 356786801 /nfs/dbraw/zinc/78/68/01/356786801.db2.gz ZBBSDQNCZLCMSE-OLZOCXBDSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+](C)CCC[N@H+](C)CCn1cc(Cn2cncn2)nn1 ZINC000630612131 356855264 /nfs/dbraw/zinc/85/52/64/356855264.db2.gz QNOKLEBZIYDBNN-UHFFFAOYSA-N 2 1 292.391 -0.199 20 0 CBADMP C[NH+](C)CCC[N@@H+](C)CCn1cc(Cn2cncn2)nn1 ZINC000630612131 356855267 /nfs/dbraw/zinc/85/52/67/356855267.db2.gz QNOKLEBZIYDBNN-UHFFFAOYSA-N 2 1 292.391 -0.199 20 0 CBADMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCc2ncnn21 ZINC000631821070 356908780 /nfs/dbraw/zinc/90/87/80/356908780.db2.gz OAOSDYPNWWIISH-LLVKDONJSA-N 2 1 278.360 -0.871 20 0 CBADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCc2ncnn21 ZINC000631821070 356908783 /nfs/dbraw/zinc/90/87/83/356908783.db2.gz OAOSDYPNWWIISH-LLVKDONJSA-N 2 1 278.360 -0.871 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000631837877 356910546 /nfs/dbraw/zinc/91/05/46/356910546.db2.gz GPAZSZZABZPNFO-VXGBXAGGSA-N 3 1 254.378 -0.665 20 0 CBADMP C[C@@H]1C[N@H+](CCC(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC000631837877 356910548 /nfs/dbraw/zinc/91/05/48/356910548.db2.gz GPAZSZZABZPNFO-VXGBXAGGSA-N 2 1 254.378 -0.665 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC000631837877 356910549 /nfs/dbraw/zinc/91/05/49/356910549.db2.gz GPAZSZZABZPNFO-VXGBXAGGSA-N 2 1 254.378 -0.665 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000631837302 356911059 /nfs/dbraw/zinc/91/10/59/356911059.db2.gz QQFHAFFGEYFTMT-CHWSQXEVSA-N 2 1 268.405 -0.323 20 0 CBADMP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000631837302 356911062 /nfs/dbraw/zinc/91/10/62/356911062.db2.gz QQFHAFFGEYFTMT-CHWSQXEVSA-N 3 1 268.405 -0.323 20 0 CBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000631837302 356911065 /nfs/dbraw/zinc/91/10/65/356911065.db2.gz QQFHAFFGEYFTMT-CHWSQXEVSA-N 3 1 268.405 -0.323 20 0 CBADMP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838167 356911159 /nfs/dbraw/zinc/91/11/59/356911159.db2.gz JTRVOWOCQRAGGF-GHMZBOCLSA-N 2 1 263.407 -0.158 20 0 CBADMP C[NH+]1CCN(C(=O)CCN[C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000631867498 356914636 /nfs/dbraw/zinc/91/46/36/356914636.db2.gz WEFRJEWRVFLJTC-HIFRSBDPSA-N 2 1 280.416 -0.118 20 0 CBADMP CNC(=O)NC[C@@H]1COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000631873913 356915679 /nfs/dbraw/zinc/91/56/79/356915679.db2.gz WLFAGIRBBJTKRU-VXGBXAGGSA-N 2 1 270.377 -0.384 20 0 CBADMP CNC(=O)NC[C@@H]1COCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000631873913 356915683 /nfs/dbraw/zinc/91/56/83/356915683.db2.gz WLFAGIRBBJTKRU-VXGBXAGGSA-N 2 1 270.377 -0.384 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000631900509 356917304 /nfs/dbraw/zinc/91/73/04/356917304.db2.gz CLIINSANTLEATC-SNVBAGLBSA-N 2 1 261.391 -0.248 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000631902303 356918736 /nfs/dbraw/zinc/91/87/36/356918736.db2.gz HLNWIGLYHCQYOQ-JTQLQIEISA-N 2 1 261.391 -0.309 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000631903556 356919864 /nfs/dbraw/zinc/91/98/64/356919864.db2.gz MBBLOQKORPHKAC-JTQLQIEISA-N 2 1 261.391 -0.248 20 0 CBADMP C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CCO1 ZINC000631907284 356921252 /nfs/dbraw/zinc/92/12/52/356921252.db2.gz IBVOFYXXUIEVNC-WDEREUQCSA-N 2 1 291.417 -0.542 20 0 CBADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000631915092 356922271 /nfs/dbraw/zinc/92/22/71/356922271.db2.gz DLWFCBVBGULTTG-UHFFFAOYSA-N 2 1 290.433 -0.401 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NCC2([NH3+])CCC2)CC1 ZINC000631929769 356925498 /nfs/dbraw/zinc/92/54/98/356925498.db2.gz NYKNZAVFUCXFGC-UHFFFAOYSA-N 2 1 261.391 -0.119 20 0 CBADMP C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631938117 356929064 /nfs/dbraw/zinc/92/90/64/356929064.db2.gz VCICALGCNOWOSI-UWVGGRQHSA-N 2 1 261.391 -0.168 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000631944742 356930720 /nfs/dbraw/zinc/93/07/20/356930720.db2.gz GICWZVVURQYFTC-NSHDSACASA-N 2 1 291.417 -0.540 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631975082 356937978 /nfs/dbraw/zinc/93/79/78/356937978.db2.gz CKXLZZMDSVMWOA-NXEZZACHSA-N 2 1 261.391 -0.168 20 0 CBADMP CC[N@@H+](CCO)CCNS(=O)(=O)CCC[NH+](C)C ZINC000632226441 356961938 /nfs/dbraw/zinc/96/19/38/356961938.db2.gz VFLPBZLZBRBXHO-UHFFFAOYSA-N 2 1 281.422 -0.828 20 0 CBADMP C[C@@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)[NH+](C)C ZINC000632417200 356985233 /nfs/dbraw/zinc/98/52/33/356985233.db2.gz DDBXWKUZOQILOP-JTQLQIEISA-N 2 1 263.407 -0.050 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@H]2CC[N@H+](C)C2)CC1 ZINC000632430465 356987438 /nfs/dbraw/zinc/98/74/38/356987438.db2.gz CCSNUPQGCCQFRY-LLVKDONJSA-N 2 1 275.418 -0.048 20 0 CBADMP C[NH+](C)C1(CS(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)CC1 ZINC000632430465 356987441 /nfs/dbraw/zinc/98/74/41/356987441.db2.gz CCSNUPQGCCQFRY-LLVKDONJSA-N 2 1 275.418 -0.048 20 0 CBADMP C[NH+](C)CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000632472796 356992971 /nfs/dbraw/zinc/99/29/71/356992971.db2.gz GLGUKSJYLKYJHK-AWEZNQCLSA-N 2 1 295.387 -0.759 20 0 CBADMP C[NH+](C)CCOCCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632201849 356959319 /nfs/dbraw/zinc/95/93/19/356959319.db2.gz WEIDONFAQXOPKB-UHFFFAOYSA-N 2 1 293.433 -0.422 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633098041 357044600 /nfs/dbraw/zinc/04/46/00/357044600.db2.gz JUIHSNHQCREIHB-JQWIXIFHSA-N 2 1 280.372 -0.888 20 0 CBADMP 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 357044623 /nfs/dbraw/zinc/04/46/23/357044623.db2.gz UVGCQVCAZJKCBK-XQHKEYJVSA-N 2 1 294.399 -0.500 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H]1C ZINC000633095878 357044633 /nfs/dbraw/zinc/04/46/33/357044633.db2.gz ZLXSHVIPSIDZEY-VOAKCMCISA-N 2 1 294.399 -0.500 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H]1C ZINC000633095878 357044635 /nfs/dbraw/zinc/04/46/35/357044635.db2.gz ZLXSHVIPSIDZEY-VOAKCMCISA-N 2 1 294.399 -0.500 20 0 CBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633113386 357048719 /nfs/dbraw/zinc/04/87/19/357048719.db2.gz GQLYPLPUAOQLMW-AVGNSLFASA-N 2 1 294.399 -0.498 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000633117091 357050061 /nfs/dbraw/zinc/05/00/61/357050061.db2.gz ZAXYSLLJPMUJAT-DGCLKSJQSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000633117090 357050343 /nfs/dbraw/zinc/05/03/43/357050343.db2.gz ZAXYSLLJPMUJAT-AAEUAGOBSA-N 2 1 294.399 -0.511 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000633137918 357051046 /nfs/dbraw/zinc/05/10/46/357051046.db2.gz AAYIFHFUCISOLD-TYNCELHUSA-N 2 1 294.399 -0.511 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)C1 ZINC000633150582 357053181 /nfs/dbraw/zinc/05/31/81/357053181.db2.gz ZWRAWSADCBQMAP-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@]12C[N@@H+](CC3CC[NH2+]CC3)C[C@@]1(C)C(=O)NC2=O ZINC000634999140 357141989 /nfs/dbraw/zinc/14/19/89/357141989.db2.gz QNXJFXOXNQZJTG-OKILXGFUSA-N 2 1 265.357 -0.029 20 0 CBADMP C[C@]12C[N@H+](C[C@@]3(C)CC[NH2+]C3)C[C@@]1(C)C(=O)NC2=O ZINC000634999462 357142322 /nfs/dbraw/zinc/14/23/22/357142322.db2.gz UYSXVDRIGIXKQP-MELADBBJSA-N 2 1 265.357 -0.029 20 0 CBADMP C[C@]12C[N@@H+](CC34CC(C3)C[NH2+]4)C[C@@]1(C)C(=O)NC2=O ZINC000634998175 357142633 /nfs/dbraw/zinc/14/26/33/357142633.db2.gz BUPQKMNHADPBJC-HJHQOWQESA-N 2 1 263.341 -0.277 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635546997 357174076 /nfs/dbraw/zinc/17/40/76/357174076.db2.gz DNXRJGNFIWJFIL-QWHCGFSZSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635546997 357174079 /nfs/dbraw/zinc/17/40/79/357174079.db2.gz DNXRJGNFIWJFIL-QWHCGFSZSA-N 2 1 268.405 -0.310 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635546997 357174083 /nfs/dbraw/zinc/17/40/83/357174083.db2.gz DNXRJGNFIWJFIL-QWHCGFSZSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)[NH+](C)C ZINC000635485674 357168486 /nfs/dbraw/zinc/16/84/86/357168486.db2.gz BFQWHVBJIMVIBT-DGCLKSJQSA-N 2 1 296.415 -0.123 20 0 CBADMP NC(=O)[C@H](O)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721195 357129100 /nfs/dbraw/zinc/12/91/00/357129100.db2.gz VADIOTJWJGNSGR-UKRRQHHQSA-N 2 1 293.367 -0.941 20 0 CBADMP NC(=O)[C@H](O)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721195 357129103 /nfs/dbraw/zinc/12/91/03/357129103.db2.gz VADIOTJWJGNSGR-UKRRQHHQSA-N 2 1 293.367 -0.941 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+](C)C ZINC000635975272 357241424 /nfs/dbraw/zinc/24/14/24/357241424.db2.gz OHPHGMHOPQGZSE-NEPJUHHUSA-N 2 1 257.378 -0.101 20 0 CBADMP C[C@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)[NH+](C)C ZINC000635900886 357228460 /nfs/dbraw/zinc/22/84/60/357228460.db2.gz YREUBKXSTHASOX-VXGBXAGGSA-N 2 1 254.378 -0.557 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000635928432 357234578 /nfs/dbraw/zinc/23/45/78/357234578.db2.gz GHXHJHYGGWPXIK-RDBSUJKOSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)C1 ZINC000635928432 357234585 /nfs/dbraw/zinc/23/45/85/357234585.db2.gz GHXHJHYGGWPXIK-RDBSUJKOSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)C1 ZINC000635928432 357234594 /nfs/dbraw/zinc/23/45/94/357234594.db2.gz GHXHJHYGGWPXIK-RDBSUJKOSA-N 2 1 281.400 -0.004 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000635947958 357237865 /nfs/dbraw/zinc/23/78/65/357237865.db2.gz GJMPGPIJWXMPTR-WOPDTQHZSA-N 2 1 255.362 -0.539 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N2CC[NH2+]C(C)(C)C2)O1 ZINC000635644169 357187555 /nfs/dbraw/zinc/18/75/55/357187555.db2.gz CXQGOAVODPTLQP-MNOVXSKESA-N 2 1 255.362 -0.084 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N2CC[NH2+]C(C)(C)C2)O1 ZINC000635644169 357187556 /nfs/dbraw/zinc/18/75/56/357187556.db2.gz CXQGOAVODPTLQP-MNOVXSKESA-N 2 1 255.362 -0.084 20 0 CBADMP CC[NH+](CC)CCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636445438 357285340 /nfs/dbraw/zinc/28/53/40/357285340.db2.gz KGXVDEBJWWERJT-LBPRGKRZSA-N 2 1 272.393 -0.306 20 0 CBADMP CC[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000636476286 357286542 /nfs/dbraw/zinc/28/65/42/357286542.db2.gz PMIABLJDKCGKIY-ZDUSSCGKSA-N 2 1 284.404 -0.164 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000636578686 357290035 /nfs/dbraw/zinc/29/00/35/357290035.db2.gz NLODGZOFCIYYIA-MELADBBJSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000636578686 357290038 /nfs/dbraw/zinc/29/00/38/357290038.db2.gz NLODGZOFCIYYIA-MELADBBJSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000636578686 357290043 /nfs/dbraw/zinc/29/00/43/357290043.db2.gz NLODGZOFCIYYIA-MELADBBJSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000636578685 357290269 /nfs/dbraw/zinc/29/02/69/357290269.db2.gz NLODGZOFCIYYIA-MCIONIFRSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000636578685 357290273 /nfs/dbraw/zinc/29/02/73/357290273.db2.gz NLODGZOFCIYYIA-MCIONIFRSA-N 2 1 296.415 -0.021 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000636578685 357290277 /nfs/dbraw/zinc/29/02/77/357290277.db2.gz NLODGZOFCIYYIA-MCIONIFRSA-N 2 1 296.415 -0.021 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000636624528 357294067 /nfs/dbraw/zinc/29/40/67/357294067.db2.gz VWGRJRAUZTUXGJ-NEPJUHHUSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000636624528 357294070 /nfs/dbraw/zinc/29/40/70/357294070.db2.gz VWGRJRAUZTUXGJ-NEPJUHHUSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000636624528 357294074 /nfs/dbraw/zinc/29/40/74/357294074.db2.gz VWGRJRAUZTUXGJ-NEPJUHHUSA-N 2 1 270.377 -0.554 20 0 CBADMP C[N@@H+](CCNC(=O)NCC[NH+]1CC[C@@H](O)C1)C1CC1 ZINC000636777015 357302696 /nfs/dbraw/zinc/30/26/96/357302696.db2.gz LDZQJHXSGGTQMO-GFCCVEGCSA-N 2 1 270.377 -0.554 20 0 CBADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000636820712 357305283 /nfs/dbraw/zinc/30/52/83/357305283.db2.gz ZEIYQGTWTAIWHE-KBPBESRZSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000636820712 357305286 /nfs/dbraw/zinc/30/52/86/357305286.db2.gz ZEIYQGTWTAIWHE-KBPBESRZSA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000636820712 357305288 /nfs/dbraw/zinc/30/52/88/357305288.db2.gz ZEIYQGTWTAIWHE-KBPBESRZSA-N 2 1 296.415 -0.164 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(C)CCNC1=O ZINC000636160294 357268212 /nfs/dbraw/zinc/26/82/12/357268212.db2.gz CRWDPQICWMDHSQ-WFASDCNBSA-N 2 1 298.431 -0.099 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(C)CCNC1=O ZINC000636160294 357268217 /nfs/dbraw/zinc/26/82/17/357268217.db2.gz CRWDPQICWMDHSQ-WFASDCNBSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000636317723 357280538 /nfs/dbraw/zinc/28/05/38/357280538.db2.gz SPBAVDMZSHXSTR-LBPRGKRZSA-N 2 1 284.404 -0.441 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH2+]C1 ZINC000637812357 357369747 /nfs/dbraw/zinc/36/97/47/357369747.db2.gz RRKUGBIDDBPVLU-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000637820849 357370608 /nfs/dbraw/zinc/37/06/08/357370608.db2.gz JQWVOTXAZBISST-CHWSQXEVSA-N 2 1 296.415 -0.358 20 0 CBADMP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000637832534 357372958 /nfs/dbraw/zinc/37/29/58/357372958.db2.gz IJIZBYMEFMIMFD-RWMBFGLXSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N(C)CCN2CC[NH2+]CC2)O1 ZINC000637835635 357374030 /nfs/dbraw/zinc/37/40/30/357374030.db2.gz PBUGIOSIQNNCHS-OLZOCXBDSA-N 2 1 284.404 -0.931 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N(C)CCN2CC[NH2+]CC2)O1 ZINC000637835635 357374036 /nfs/dbraw/zinc/37/40/36/357374036.db2.gz PBUGIOSIQNNCHS-OLZOCXBDSA-N 2 1 284.404 -0.931 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000637147225 357326304 /nfs/dbraw/zinc/32/63/04/357326304.db2.gz HALDGVWOVWWLPL-WDEREUQCSA-N 2 1 258.366 -0.698 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637316821 357339121 /nfs/dbraw/zinc/33/91/21/357339121.db2.gz HJTNFBZSVGEZJR-NSHDSACASA-N 2 1 270.377 -0.554 20 0 CBADMP C[C@@H]1CN(C(=O)NCC[NH2+]C2CC2)C[C@H](C)[N@@H+]1CCO ZINC000637349034 357339198 /nfs/dbraw/zinc/33/91/98/357339198.db2.gz XWLPJMDXLNMBIH-TXEJJXNPSA-N 2 1 284.404 -0.165 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000637798622 357365281 /nfs/dbraw/zinc/36/52/81/357365281.db2.gz OJVOKQSBPXJSJE-ZDUSSCGKSA-N 2 1 268.405 -0.260 20 0 CBADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637811595 357368624 /nfs/dbraw/zinc/36/86/24/357368624.db2.gz WXTKBENMYVOGFS-GFCCVEGCSA-N 2 1 282.388 -0.782 20 0 CBADMP C[C@@]1(C(=O)NCCC[NH+]2CCOCC2)C[NH2+]CCO1 ZINC000638046980 357405330 /nfs/dbraw/zinc/40/53/30/357405330.db2.gz HCCBWOBCTBEAMA-ZDUSSCGKSA-N 2 1 271.361 -0.797 20 0 CBADMP COCC[NH+]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638055147 357405987 /nfs/dbraw/zinc/40/59/87/357405987.db2.gz GWNAMVSWDWLYTP-LBPRGKRZSA-N 2 1 253.346 -0.176 20 0 CBADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@]2(C)C[NH2+]CCO2)C[C@H](C)O1 ZINC000638060529 357407607 /nfs/dbraw/zinc/40/76/07/357407607.db2.gz NAOORPLKXBXGSQ-VNHYZAJKSA-N 2 1 299.415 -0.020 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000638243035 357442125 /nfs/dbraw/zinc/44/21/25/357442125.db2.gz JQKLFJTYOBKZIN-ZIQFBCGOSA-N 2 1 251.330 -0.816 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638067989 357408851 /nfs/dbraw/zinc/40/88/51/357408851.db2.gz IGPGDXBMHDYKLH-WDEREUQCSA-N 2 1 252.318 -0.186 20 0 CBADMP C[C@@]1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000638071521 357409644 /nfs/dbraw/zinc/40/96/44/357409644.db2.gz GEDPIDBLKHREGM-FZMZJTMJSA-N 2 1 267.373 -0.035 20 0 CBADMP [NH3+]C[C@@]1(C(=O)NCC[NH+]2CCSCC2)CCCOC1 ZINC000638070051 357410085 /nfs/dbraw/zinc/41/00/85/357410085.db2.gz WHSSSYWPVBRRBT-ZDUSSCGKSA-N 2 1 287.429 -0.093 20 0 CBADMP C[N@H+]1CC[C@H](CNC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638073237 357410862 /nfs/dbraw/zinc/41/08/62/357410862.db2.gz SSKWQCVELFHIFB-YPMHNXCESA-N 2 1 255.362 -0.190 20 0 CBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638075338 357411251 /nfs/dbraw/zinc/41/12/51/357411251.db2.gz DZVQYMCNSKBVST-AAEUAGOBSA-N 2 1 255.362 -0.048 20 0 CBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638073236 357411336 /nfs/dbraw/zinc/41/13/36/357411336.db2.gz SSKWQCVELFHIFB-WCQYABFASA-N 2 1 255.362 -0.190 20 0 CBADMP C[C@@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)C[NH+]1CCOCC1 ZINC000638089810 357414202 /nfs/dbraw/zinc/41/42/02/357414202.db2.gz DNNFBTKDDSSBPJ-ZFWWWQNUSA-N 2 1 299.415 -0.174 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638098193 357415973 /nfs/dbraw/zinc/41/59/73/357415973.db2.gz FBXYNOOWPYFJRG-GRYCIOLGSA-N 2 1 271.361 -0.670 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)C1 ZINC000638098783 357417260 /nfs/dbraw/zinc/41/72/60/357417260.db2.gz CQDRVHOZIXMFFS-OUCADQQQSA-N 2 1 285.388 -0.410 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)C1 ZINC000638098781 357417285 /nfs/dbraw/zinc/41/72/85/357417285.db2.gz CQDRVHOZIXMFFS-OBJOEFQTSA-N 2 1 285.388 -0.410 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000638102869 357418049 /nfs/dbraw/zinc/41/80/49/357418049.db2.gz XGCOMVDZRKXEMH-CYBMUJFWSA-N 2 1 268.405 -0.118 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638102800 357418424 /nfs/dbraw/zinc/41/84/24/357418424.db2.gz WUJBCYMRRKQDGF-TZMCWYRMSA-N 2 1 285.388 -0.421 20 0 CBADMP C[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000638102674 357418469 /nfs/dbraw/zinc/41/84/69/357418469.db2.gz VMUWLAXECJUINP-GWCFXTLKSA-N 2 1 255.362 -0.036 20 0 CBADMP C[C@]1(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C[NH2+]CCO1 ZINC000638104373 357418712 /nfs/dbraw/zinc/41/87/12/357418712.db2.gz YYDFKKMVNHMZBX-KCQAQPDRSA-N 2 1 297.399 -0.578 20 0 CBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])C2)CC1 ZINC000638116873 357420156 /nfs/dbraw/zinc/42/01/56/357420156.db2.gz MCPASBDFHFCYQO-KWCYVHTRSA-N 2 1 296.415 -0.613 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])C2)CC1 ZINC000638116873 357420159 /nfs/dbraw/zinc/42/01/59/357420159.db2.gz MCPASBDFHFCYQO-KWCYVHTRSA-N 2 1 296.415 -0.613 20 0 CBADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000638112627 357420921 /nfs/dbraw/zinc/42/09/21/357420921.db2.gz ZUANABRBJKRHDN-FZMZJTMJSA-N 2 1 295.387 -0.131 20 0 CBADMP CC[NH2+][C@@H](C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000638111909 357420960 /nfs/dbraw/zinc/42/09/60/357420960.db2.gz WINBTVCOIVMZQP-NSHDSACASA-N 2 1 284.404 -0.347 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638123567 357421696 /nfs/dbraw/zinc/42/16/96/357421696.db2.gz PUXSTEGOEMQPSN-CQSZACIVSA-N 2 1 287.404 -0.174 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638123910 357421832 /nfs/dbraw/zinc/42/18/32/357421832.db2.gz ATZKIDVMJPYWLD-CYBMUJFWSA-N 2 1 294.399 -0.344 20 0 CBADMP CC(C)OCC[NH+]1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638122283 357422300 /nfs/dbraw/zinc/42/23/00/357422300.db2.gz OIJSUCFPUIKELG-UHFFFAOYSA-N 2 1 298.431 -0.539 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638130547 357422874 /nfs/dbraw/zinc/42/28/74/357422874.db2.gz JWSFYNPROHSBMR-GRYCIOLGSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)O1 ZINC000638247858 357442871 /nfs/dbraw/zinc/44/28/71/357442871.db2.gz PKPSALKBDQFLSH-YVECIDJPSA-N 2 1 267.373 -0.084 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)O1 ZINC000638247858 357442875 /nfs/dbraw/zinc/44/28/75/357442875.db2.gz PKPSALKBDQFLSH-YVECIDJPSA-N 2 1 267.373 -0.084 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638137100 357424435 /nfs/dbraw/zinc/42/44/35/357424435.db2.gz RKMNIZGNQWYUKG-OAHLLOKOSA-N 2 1 298.431 -0.504 20 0 CBADMP COC[C@]1(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCCC[NH2+]1 ZINC000638138415 357425082 /nfs/dbraw/zinc/42/50/82/357425082.db2.gz ARAMFOZPGSSLMT-HIFRSBDPSA-N 2 1 298.431 -0.493 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC2)C1 ZINC000638139211 357425235 /nfs/dbraw/zinc/42/52/35/357425235.db2.gz KEQUTNGIUUFPBT-HZSPNIEDSA-N 2 1 296.415 -0.659 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638138429 357425487 /nfs/dbraw/zinc/42/54/87/357425487.db2.gz AVAWFQWLAIZEMY-GXTWGEPZSA-N 2 1 284.404 -0.896 20 0 CBADMP COCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000638151882 357425818 /nfs/dbraw/zinc/42/58/18/357425818.db2.gz GGIUTEXRVSTDFA-RYUDHWBXSA-N 2 1 271.361 -0.798 20 0 CBADMP CC1(C)CN(C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@H+]1CCO ZINC000638164113 357428863 /nfs/dbraw/zinc/42/88/63/357428863.db2.gz BDRLUEKVMHPNKZ-LBPRGKRZSA-N 2 1 284.404 -0.178 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638226097 357437050 /nfs/dbraw/zinc/43/70/50/357437050.db2.gz CXCUUFXGUCCTCH-KBPBESRZSA-N 2 1 280.416 -0.023 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000638226723 357437598 /nfs/dbraw/zinc/43/75/98/357437598.db2.gz IOHZXJVFOIEZOL-UONOGXRCSA-N 2 1 280.416 -0.166 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC000637867684 357380170 /nfs/dbraw/zinc/38/01/70/357380170.db2.gz UMKHXXBKVVGXSM-WISYIIOYSA-N 2 1 271.361 -0.720 20 0 CBADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC000637867684 357380172 /nfs/dbraw/zinc/38/01/72/357380172.db2.gz UMKHXXBKVVGXSM-WISYIIOYSA-N 2 1 271.361 -0.720 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638253041 357444124 /nfs/dbraw/zinc/44/41/24/357444124.db2.gz GXXIXMNFODSSPH-QWHCGFSZSA-N 2 1 273.352 -0.098 20 0 CBADMP C[NH2+]CCOCCN(C)C(=O)Cn1cc[nH+]c1C ZINC000638595232 357500574 /nfs/dbraw/zinc/50/05/74/357500574.db2.gz ZXYZFGHYWOKASU-UHFFFAOYSA-N 2 1 254.334 -0.114 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000638253325 357444508 /nfs/dbraw/zinc/44/45/08/357444508.db2.gz LGIXVKIQDNVLKO-GFCCVEGCSA-N 2 1 258.341 -0.948 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638253039 357444548 /nfs/dbraw/zinc/44/45/48/357444548.db2.gz GXXIXMNFODSSPH-CHWSQXEVSA-N 2 1 273.352 -0.098 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000638263434 357446195 /nfs/dbraw/zinc/44/61/95/357446195.db2.gz BTWAOMRRVWJYQM-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CC(C)(O)C[NH+]1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC000638276710 357448311 /nfs/dbraw/zinc/44/83/11/357448311.db2.gz OWRFKIMDKIUZSK-UHFFFAOYSA-N 2 1 293.433 -0.640 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638276566 357448349 /nfs/dbraw/zinc/44/83/49/357448349.db2.gz ZQBDIFWRPFYJPQ-NWDGAFQWSA-N 2 1 271.361 -0.717 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638275422 357448468 /nfs/dbraw/zinc/44/84/68/357448468.db2.gz RTMQJKJIWBPJBN-OAHLLOKOSA-N 2 1 299.415 -0.077 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638304509 357454080 /nfs/dbraw/zinc/45/40/80/357454080.db2.gz QODKGEKXGNUIGB-ZDUSSCGKSA-N 2 1 255.362 -0.083 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638404942 357469437 /nfs/dbraw/zinc/46/94/37/357469437.db2.gz QDPYLTHEGZNOKS-GFCCVEGCSA-N 2 1 268.405 -0.119 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638425557 357474437 /nfs/dbraw/zinc/47/44/37/357474437.db2.gz NFWUJOHHOHOQEJ-YPMHNXCESA-N 2 1 255.362 -0.035 20 0 CBADMP [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000638427225 357474663 /nfs/dbraw/zinc/47/46/63/357474663.db2.gz VFWQMAIGGJDWOD-CHWSQXEVSA-N 2 1 264.373 -0.460 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000638439248 357477695 /nfs/dbraw/zinc/47/76/95/357477695.db2.gz DGRSSXKJDLNFEV-LLVKDONJSA-N 2 1 253.346 -0.471 20 0 CBADMP CC[NH2+][C@H](C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000638496582 357486580 /nfs/dbraw/zinc/48/65/80/357486580.db2.gz VFTRGSFMUUDFNZ-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP CO[C@]1(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)CCOC1 ZINC000638547772 357494084 /nfs/dbraw/zinc/49/40/84/357494084.db2.gz CNCSURBWNQSDAT-AWEZNQCLSA-N 2 1 285.388 -0.454 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H](C(=O)NCC2([NH3+])CCOCC2)O1 ZINC000638541534 357494499 /nfs/dbraw/zinc/49/44/99/357494499.db2.gz IRZMAJQBYSMARN-WDEREUQCSA-N 2 1 271.361 -0.670 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H](C(=O)NCC2([NH3+])CCOCC2)O1 ZINC000638541534 357494502 /nfs/dbraw/zinc/49/45/02/357494502.db2.gz IRZMAJQBYSMARN-WDEREUQCSA-N 2 1 271.361 -0.670 20 0 CBADMP C[C@@H]1[C@H](C(=O)NC2(C[NH3+])CCOCC2)CC[N@H+]1C ZINC000638632149 357513709 /nfs/dbraw/zinc/51/37/09/357513709.db2.gz SXXURHBKNHJEDB-GHMZBOCLSA-N 2 1 255.362 -0.049 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000638633083 357513816 /nfs/dbraw/zinc/51/38/16/357513816.db2.gz WAIDBKGTGAYASP-LLVKDONJSA-N 2 1 255.362 -0.048 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CCOCC[NH3+])C1 ZINC000638674106 357519166 /nfs/dbraw/zinc/51/91/66/357519166.db2.gz FIEQQMICPCGLOF-NSHDSACASA-N 2 1 259.350 -0.859 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CCOCC[NH3+])C1 ZINC000638674106 357519171 /nfs/dbraw/zinc/51/91/71/357519171.db2.gz FIEQQMICPCGLOF-NSHDSACASA-N 2 1 259.350 -0.859 20 0 CBADMP C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000638892994 357540929 /nfs/dbraw/zinc/54/09/29/357540929.db2.gz KZVBGHQWFORPHJ-JHJVBQTASA-N 2 1 268.405 -0.325 20 0 CBADMP COCCOCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927374 357545265 /nfs/dbraw/zinc/54/52/65/357545265.db2.gz XVEHIDUFUPXSCF-OKILXGFUSA-N 2 1 299.415 -0.066 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638984778 357548706 /nfs/dbraw/zinc/54/87/06/357548706.db2.gz RDNGOIPZNVWSNO-GFCCVEGCSA-N 2 1 293.371 -0.207 20 0 CBADMP CC(C)[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[N@H+]1C ZINC000639018293 357553313 /nfs/dbraw/zinc/55/33/13/357553313.db2.gz DFUKDWOIRXHBRZ-QJPTWQEYSA-N 2 1 255.362 -0.099 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000639164342 357560840 /nfs/dbraw/zinc/56/08/40/357560840.db2.gz NSLPZIXGSRBKCK-GHMZBOCLSA-N 2 1 278.422 -0.545 20 0 CBADMP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000639164342 357560843 /nfs/dbraw/zinc/56/08/43/357560843.db2.gz NSLPZIXGSRBKCK-GHMZBOCLSA-N 2 1 278.422 -0.545 20 0 CBADMP CNS(=O)(=O)N1CCN(CCc2c[nH+]cn2C)CC1 ZINC000639645159 357581387 /nfs/dbraw/zinc/58/13/87/357581387.db2.gz BKAQRRLKGIMDMS-UHFFFAOYSA-N 2 1 287.389 -0.956 20 0 CBADMP CNS(=O)(=O)CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755427 357594862 /nfs/dbraw/zinc/59/48/62/357594862.db2.gz KWBQBRVDJHVORQ-UHFFFAOYSA-N 2 1 275.418 -0.047 20 0 CBADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)N3CCNC(=O)C3)C2)CC1 ZINC000639759939 357594896 /nfs/dbraw/zinc/59/48/96/357594896.db2.gz OJZZSKULMSUIMR-UHFFFAOYSA-N 2 1 294.399 -0.638 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000639762438 357596054 /nfs/dbraw/zinc/59/60/54/357596054.db2.gz MBLUQZSRBNMWHG-AWEZNQCLSA-N 2 1 298.387 -0.683 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000639762438 357596057 /nfs/dbraw/zinc/59/60/57/357596057.db2.gz MBLUQZSRBNMWHG-AWEZNQCLSA-N 2 1 298.387 -0.683 20 0 CBADMP CN(C)C(=O)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766928 357596751 /nfs/dbraw/zinc/59/67/51/357596751.db2.gz PSVSHOJJWDGGBN-CYBMUJFWSA-N 2 1 257.378 -0.147 20 0 CBADMP COCCOC[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767846 357597208 /nfs/dbraw/zinc/59/72/08/357597208.db2.gz UESQENGUHNRFNS-KBPBESRZSA-N 2 1 290.404 -0.601 20 0 CBADMP COCCOC[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767846 357597211 /nfs/dbraw/zinc/59/72/11/357597211.db2.gz UESQENGUHNRFNS-KBPBESRZSA-N 2 1 290.404 -0.601 20 0 CBADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC[C@@H]2CCNC2=O)C1 ZINC000639769280 357597612 /nfs/dbraw/zinc/59/76/12/357597612.db2.gz XHWBTFOHPXVOKT-JSGCOSHPSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639769334 357597689 /nfs/dbraw/zinc/59/76/89/357597689.db2.gz XVWDDEFJZLPCGR-ZIAGYGMSSA-N 2 1 273.421 -0.313 20 0 CBADMP C[NH2+]C(C)(C)c1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000640837886 357666452 /nfs/dbraw/zinc/66/64/52/357666452.db2.gz ZFODADCAVCHTMO-UHFFFAOYSA-N 2 1 280.376 -0.493 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000641493507 357713361 /nfs/dbraw/zinc/71/33/61/357713361.db2.gz NUHVWTZDYSEJQB-MNOVXSKESA-N 2 1 272.393 -0.180 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc(CC[NH+](C)C)nn1 ZINC000641222369 357681309 /nfs/dbraw/zinc/68/13/09/357681309.db2.gz KFUVACGCHXXUMO-CYBMUJFWSA-N 2 1 285.392 -0.679 20 0 CBADMP C[N@@H+](C[C@H](O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1)C1CC1 ZINC000641220889 357681933 /nfs/dbraw/zinc/68/19/33/357681933.db2.gz CPHOUCSXMXKLPH-RISCZKNCSA-N 2 1 279.388 -0.115 20 0 CBADMP Cn1cncc1CC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000641796983 357743361 /nfs/dbraw/zinc/74/33/61/357743361.db2.gz ONZFBYZEYQTTOY-GFCCVEGCSA-N 2 1 279.388 -0.251 20 0 CBADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000641802240 357744022 /nfs/dbraw/zinc/74/40/22/357744022.db2.gz IIWGTZREABNJPD-GHMZBOCLSA-N 2 1 255.362 -0.003 20 0 CBADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)N(C)CC(=O)NC1CC1 ZINC000641803823 357744342 /nfs/dbraw/zinc/74/43/42/357744342.db2.gz IBDPNHGCHJTIHK-ZMLRMANQSA-N 2 1 296.415 -0.173 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641825874 357746342 /nfs/dbraw/zinc/74/63/42/357746342.db2.gz YBXVITQFAJXEAF-SNVBAGLBSA-N 2 1 270.377 -0.655 20 0 CBADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641825874 357746344 /nfs/dbraw/zinc/74/63/44/357746344.db2.gz YBXVITQFAJXEAF-SNVBAGLBSA-N 2 1 270.377 -0.655 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000641944834 357749121 /nfs/dbraw/zinc/74/91/21/357749121.db2.gz NXBMXTAONGCGLD-LLVKDONJSA-N 2 1 272.393 -0.178 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000641918254 357749241 /nfs/dbraw/zinc/74/92/41/357749241.db2.gz HLUOYIOENLUSGI-MQYQWHSLSA-N 2 1 294.399 -0.290 20 0 CBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642329785 357753299 /nfs/dbraw/zinc/75/32/99/357753299.db2.gz SHGGZVWCAMBYCW-SDDRHHMPSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000642329786 357753323 /nfs/dbraw/zinc/75/33/23/357753323.db2.gz SHGGZVWCAMBYCW-SRVKXCTJSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000642718191 357758605 /nfs/dbraw/zinc/75/86/05/357758605.db2.gz RJJPASJRXFXNBI-NQBHXWOUSA-N 2 1 294.399 -0.323 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000642718197 357758905 /nfs/dbraw/zinc/75/89/05/357758905.db2.gz RTXTUUTUGQHASU-TUAOUCFPSA-N 2 1 294.399 -0.452 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C[N@H+]1C1CC1 ZINC000642718120 357758988 /nfs/dbraw/zinc/75/89/88/357758988.db2.gz IUGOQUNCRGIRAZ-CMPLNLGQSA-N 2 1 294.399 -0.404 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642756050 357761572 /nfs/dbraw/zinc/76/15/72/357761572.db2.gz SKMUNPCEKNVGRA-NSHDSACASA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC[NH2+]1 ZINC000642785865 357762463 /nfs/dbraw/zinc/76/24/63/357762463.db2.gz OLRKOBNEAAFYMP-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000642809769 357763663 /nfs/dbraw/zinc/76/36/63/357763663.db2.gz OUAWDVMRZUTQAU-GHMZBOCLSA-N 2 1 284.404 -0.314 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000642896297 357764486 /nfs/dbraw/zinc/76/44/86/357764486.db2.gz AVOTVNQJFZLBDT-LBPRGKRZSA-N 2 1 282.388 -0.545 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000642910372 357768913 /nfs/dbraw/zinc/76/89/13/357768913.db2.gz FMHJRXNAOAHXGQ-JTQLQIEISA-N 2 1 268.361 -0.854 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919747 357770250 /nfs/dbraw/zinc/77/02/50/357770250.db2.gz FMYFWMXWVJYONF-LBPRGKRZSA-N 2 1 282.388 -0.545 20 0 CBADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000642960478 357773503 /nfs/dbraw/zinc/77/35/03/357773503.db2.gz WTCBRJPZPKZPOS-NEPJUHHUSA-N 2 1 280.372 -0.854 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000642969730 357773521 /nfs/dbraw/zinc/77/35/21/357773521.db2.gz SCFSDMUMWLMUIU-OLZOCXBDSA-N 2 1 296.415 -0.170 20 0 CBADMP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000642974867 357773549 /nfs/dbraw/zinc/77/35/49/357773549.db2.gz FYUIKDDSIOAIKM-LLVKDONJSA-N 2 1 284.404 -0.170 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000642956706 357773793 /nfs/dbraw/zinc/77/37/93/357773793.db2.gz NHJZNAJNCJZBJE-RWMBFGLXSA-N 2 1 296.415 -0.170 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000643468763 357784057 /nfs/dbraw/zinc/78/40/57/357784057.db2.gz UHWWUZGXIYTULY-VXGBXAGGSA-N 2 1 275.418 0.000 20 0 CBADMP C[C@H]1C[C@H](C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000414651144 291121327 /nfs/dbraw/zinc/12/13/27/291121327.db2.gz FFELTSQBZFVGDT-QWHCGFSZSA-N 3 1 268.405 -0.262 20 0 CBADMP C[C@H]1C[C@H](C[N@H+](C)CC(=O)N2CCNCC2)CC[NH2+]1 ZINC000414651144 291121330 /nfs/dbraw/zinc/12/13/30/291121330.db2.gz FFELTSQBZFVGDT-QWHCGFSZSA-N 2 1 268.405 -0.262 20 0 CBADMP C[C@H]1C[C@H](C[N@@H+](C)CC(=O)N2CCNCC2)CC[NH2+]1 ZINC000414651144 291121333 /nfs/dbraw/zinc/12/13/33/291121333.db2.gz FFELTSQBZFVGDT-QWHCGFSZSA-N 2 1 268.405 -0.262 20 0 CBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074218 283359896 /nfs/dbraw/zinc/35/98/96/283359896.db2.gz SARHKQMKJTWZIQ-NXEZZACHSA-N 2 1 256.350 -0.109 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000341620868 216039282 /nfs/dbraw/zinc/03/92/82/216039282.db2.gz VBJLKYQQGBLHKZ-KGLIPLIRSA-N 2 1 299.415 -0.208 20 0 CBADMP CC[N@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)[C@H](C)C1 ZINC000341777020 216100036 /nfs/dbraw/zinc/10/00/36/216100036.db2.gz OYZKQAWYVLHGIP-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)[C@H](C)C1 ZINC000341777020 216100039 /nfs/dbraw/zinc/10/00/39/216100039.db2.gz OYZKQAWYVLHGIP-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)[C@H](C)C1 ZINC000341777020 216100041 /nfs/dbraw/zinc/10/00/41/216100041.db2.gz OYZKQAWYVLHGIP-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000333572510 291210382 /nfs/dbraw/zinc/21/03/82/291210382.db2.gz MPKXMAADPVNQQI-QCNOEVLYSA-N 2 1 255.362 -0.193 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]21 ZINC000342089823 216214464 /nfs/dbraw/zinc/21/44/64/216214464.db2.gz BMKOJMBXSZPKNL-GRYCIOLGSA-N 2 1 280.372 -0.996 20 0 CBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]21 ZINC000342089823 216214466 /nfs/dbraw/zinc/21/44/66/216214466.db2.gz BMKOJMBXSZPKNL-GRYCIOLGSA-N 2 1 280.372 -0.996 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)CCC[N@H+]1C ZINC000343294739 291284994 /nfs/dbraw/zinc/28/49/94/291284994.db2.gz JOSFMTYKMVODLU-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)CCC[NH+]1C ZINC000343294739 291284998 /nfs/dbraw/zinc/28/49/98/291284998.db2.gz JOSFMTYKMVODLU-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H]1[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CCC[NH+]1C ZINC000343294739 291285001 /nfs/dbraw/zinc/28/50/01/291285001.db2.gz JOSFMTYKMVODLU-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000342519961 216382541 /nfs/dbraw/zinc/38/25/41/216382541.db2.gz ZSIXJDVWWLSYEP-MCIONIFRSA-N 2 1 282.432 -0.064 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000358890864 296056524 /nfs/dbraw/zinc/05/65/24/296056524.db2.gz ZMVHBHURQGOFDR-LBPRGKRZSA-N 2 1 267.373 -0.033 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000343644066 296056588 /nfs/dbraw/zinc/05/65/88/296056588.db2.gz QEPFFCUYHWTTJH-WCQYABFASA-N 2 1 253.346 -0.423 20 0 CBADMP C[C@H](CS(C)(=O)=O)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000330700073 203131980 /nfs/dbraw/zinc/13/19/80/203131980.db2.gz IACFGQJDRYQSBG-LLVKDONJSA-N 2 1 291.417 -0.827 20 0 CBADMP 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 296147878 /nfs/dbraw/zinc/14/78/78/296147878.db2.gz JUKACSPMMWDUIQ-YHQUGGNUSA-N 2 1 279.384 -0.348 20 0 CBADMP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CSC[NH2+]1 ZINC000335662786 284244979 /nfs/dbraw/zinc/24/49/79/284244979.db2.gz KBCVPWDAYORRKM-BQBZGAKWSA-N 2 1 251.302 -0.238 20 0 CBADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)NC(N)=O ZINC000344132091 217066686 /nfs/dbraw/zinc/06/66/86/217066686.db2.gz OLZQUHBRFDDNQV-UHFFFAOYSA-N 2 1 299.419 -0.469 20 0 CBADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)NC(N)=O ZINC000344132091 217066689 /nfs/dbraw/zinc/06/66/89/217066689.db2.gz OLZQUHBRFDDNQV-UHFFFAOYSA-N 2 1 299.419 -0.469 20 0 CBADMP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332577638 204811144 /nfs/dbraw/zinc/81/11/44/204811144.db2.gz ADLJBUVWWGIKGP-OLZOCXBDSA-N 2 1 294.399 -0.367 20 0 CBADMP CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000344394667 217179804 /nfs/dbraw/zinc/17/98/04/217179804.db2.gz RAISTSJQYGTAPK-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000344394667 217179808 /nfs/dbraw/zinc/17/98/08/217179808.db2.gz RAISTSJQYGTAPK-LBPRGKRZSA-N 2 1 255.362 -0.083 20 0 CBADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000344424852 217187628 /nfs/dbraw/zinc/18/76/28/217187628.db2.gz ZQBCVFMWDWDBLS-XQQFMLRXSA-N 2 1 287.404 -0.164 20 0 CBADMP COCCC[N@H+](C)CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000344436698 217191581 /nfs/dbraw/zinc/19/15/81/217191581.db2.gz HTHLDHUTYYWNJK-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000344436698 217191583 /nfs/dbraw/zinc/19/15/83/217191583.db2.gz HTHLDHUTYYWNJK-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP C[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)C[NH+]1CCOCC1 ZINC000344449335 217194808 /nfs/dbraw/zinc/19/48/08/217194808.db2.gz XHUYMZROGDPEJA-ZDUSSCGKSA-N 2 1 299.415 -0.174 20 0 CBADMP COCC[N@H+](C)CCCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000344471077 217202261 /nfs/dbraw/zinc/20/22/61/217202261.db2.gz CPLPZMDUTPUEFY-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000344471077 217202264 /nfs/dbraw/zinc/20/22/64/217202264.db2.gz CPLPZMDUTPUEFY-NEPJUHHUSA-N 2 1 273.377 -0.552 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000020521322 372757389 /nfs/dbraw/zinc/75/73/89/372757389.db2.gz GWTOULBEDIKDCG-LBPRGKRZSA-N 2 1 254.378 -0.508 20 0 CBADMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068807834 372765749 /nfs/dbraw/zinc/76/57/49/372765749.db2.gz YYEKGFDHKNOFEC-VXGBXAGGSA-N 2 1 256.394 -0.278 20 0 CBADMP CCCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(N)=O ZINC000053298985 372763478 /nfs/dbraw/zinc/76/34/78/372763478.db2.gz KUJQJYFQYOHWMV-UHFFFAOYSA-N 2 1 270.377 -0.604 20 0 CBADMP Cc1nccn1CC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000333178718 205094483 /nfs/dbraw/zinc/09/44/83/205094483.db2.gz RTKISKFAGACGQQ-CYBMUJFWSA-N 2 1 277.328 -0.134 20 0 CBADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC000105862080 372783027 /nfs/dbraw/zinc/78/30/27/372783027.db2.gz YXKLOUSAJYYQQD-JTQLQIEISA-N 2 1 286.376 -0.794 20 0 CBADMP CO[C@@H](C[NH3+])C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000353436388 220080068 /nfs/dbraw/zinc/08/00/68/220080068.db2.gz BEZUUWXNSPDSON-AAEUAGOBSA-N 2 1 285.388 -0.328 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000353436390 220080224 /nfs/dbraw/zinc/08/02/24/220080224.db2.gz BEZUUWXNSPDSON-WCQYABFASA-N 2 1 285.388 -0.328 20 0 CBADMP COC(=O)CNC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158915534 372818075 /nfs/dbraw/zinc/81/80/75/372818075.db2.gz YYZGEVRDAJSXJD-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000344684623 217274450 /nfs/dbraw/zinc/27/44/50/217274450.db2.gz WBNZSXHEPNUPCQ-WCQYABFASA-N 2 1 289.445 -0.148 20 0 CBADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000332578857 373005554 /nfs/dbraw/zinc/00/55/54/373005554.db2.gz AMSGJANYSAUXOS-XQQFMLRXSA-N 2 1 294.399 -0.369 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000333424640 373009607 /nfs/dbraw/zinc/00/96/07/373009607.db2.gz SZVDJJCYLWXILA-RAIGVLPGSA-N 2 1 282.388 -0.162 20 0 CBADMP [NH3+][C@@H](C(=O)NCCC[NH+]1CCOCC1)C1CCOCC1 ZINC000337800534 373029549 /nfs/dbraw/zinc/02/95/49/373029549.db2.gz HKYOWIOJUNNPPI-CYBMUJFWSA-N 2 1 285.388 -0.421 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000333489722 205367877 /nfs/dbraw/zinc/36/78/77/205367877.db2.gz DCGPISAXVUDIAN-AGIUHOORSA-N 2 1 284.404 -0.165 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000333508491 205387980 /nfs/dbraw/zinc/38/79/80/205387980.db2.gz XFQQLTOJLXGDLE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000333508491 205387983 /nfs/dbraw/zinc/38/79/83/205387983.db2.gz XFQQLTOJLXGDLE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@H+]1C ZINC000333508491 205387988 /nfs/dbraw/zinc/38/79/88/205387988.db2.gz XFQQLTOJLXGDLE-QWHCGFSZSA-N 2 1 296.415 -0.251 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000342374998 373045856 /nfs/dbraw/zinc/04/58/56/373045856.db2.gz OFICRJFOHLLHPJ-NEPJUHHUSA-N 2 1 257.378 -0.122 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000342374998 373045865 /nfs/dbraw/zinc/04/58/65/373045865.db2.gz OFICRJFOHLLHPJ-NEPJUHHUSA-N 2 1 257.378 -0.122 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000342374998 373045872 /nfs/dbraw/zinc/04/58/72/373045872.db2.gz OFICRJFOHLLHPJ-NEPJUHHUSA-N 2 1 257.378 -0.122 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351558009 373097912 /nfs/dbraw/zinc/09/79/12/373097912.db2.gz RFLSHULCVOGXRE-RYUDHWBXSA-N 2 1 284.404 -0.299 20 0 CBADMP C[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)[NH+]1CCC(C)CC1 ZINC000353564230 220160268 /nfs/dbraw/zinc/16/02/68/220160268.db2.gz PBSOXKOWYMIFGV-GHMZBOCLSA-N 2 1 270.377 -0.574 20 0 CBADMP COCCN(CC[NH+](C)C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000360133381 373178626 /nfs/dbraw/zinc/17/86/26/373178626.db2.gz BMZYSCILWGESQS-GFCCVEGCSA-N 2 1 273.377 -0.646 20 0 CBADMP COCCN(CC[NH+](C)C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000360133381 373178631 /nfs/dbraw/zinc/17/86/31/373178631.db2.gz BMZYSCILWGESQS-GFCCVEGCSA-N 2 1 273.377 -0.646 20 0 CBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1COC[C@@H]1O ZINC000361329378 373276341 /nfs/dbraw/zinc/27/63/41/373276341.db2.gz ZXGYYUXFXMRSSW-OLZOCXBDSA-N 2 1 257.378 -0.685 20 0 CBADMP CCC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000353585569 220173325 /nfs/dbraw/zinc/17/33/25/220173325.db2.gz AOWSECBCHCEWIW-MNOVXSKESA-N 2 1 270.377 -0.430 20 0 CBADMP CC(C)[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000353585588 220173501 /nfs/dbraw/zinc/17/35/01/220173501.db2.gz ATVLGOJNTHFBJN-WDEREUQCSA-N 2 1 270.377 -0.574 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](O)C2(C)C)CC1 ZINC000361405412 373289867 /nfs/dbraw/zinc/28/98/67/373289867.db2.gz XFEDDWWSYNLJID-GFCCVEGCSA-N 2 1 269.389 -0.004 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](O)C2(C)C)CC1 ZINC000361405412 373289873 /nfs/dbraw/zinc/28/98/73/373289873.db2.gz XFEDDWWSYNLJID-GFCCVEGCSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@@]1(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CCC[NH2+]C1 ZINC000353592950 220178822 /nfs/dbraw/zinc/17/88/22/220178822.db2.gz UNPSGXNZANBRER-IUODEOHRSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000362836520 373452913 /nfs/dbraw/zinc/45/29/13/373452913.db2.gz HKXXRPKAMMPEOS-AGIUHOORSA-N 2 1 269.389 -0.027 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000362869497 373458197 /nfs/dbraw/zinc/45/81/97/373458197.db2.gz WIQJHJIIFDMZSK-NFAWXSAZSA-N 2 1 299.415 -0.617 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000362869497 373458204 /nfs/dbraw/zinc/45/82/04/373458204.db2.gz WIQJHJIIFDMZSK-NFAWXSAZSA-N 2 1 299.415 -0.617 20 0 CBADMP O=C(NCC[NH+]1CCCCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000362685648 373436235 /nfs/dbraw/zinc/43/62/35/373436235.db2.gz MJTKUQODXJVAPD-AWEZNQCLSA-N 2 1 280.416 -0.022 20 0 CBADMP CCOC(=O)[C@](C)(O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000365851626 373526325 /nfs/dbraw/zinc/52/63/25/373526325.db2.gz WMOBSHHAMHQTCS-NTZNESFSSA-N 2 1 256.346 -0.206 20 0 CBADMP CCOC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000365851626 373526329 /nfs/dbraw/zinc/52/63/29/373526329.db2.gz WMOBSHHAMHQTCS-NTZNESFSSA-N 2 1 256.346 -0.206 20 0 CBADMP CCOC(=O)[C@](C)(O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000365851626 373526333 /nfs/dbraw/zinc/52/63/33/373526333.db2.gz WMOBSHHAMHQTCS-NTZNESFSSA-N 2 1 256.346 -0.206 20 0 CBADMP CCOC(=O)[C@](C)(O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000365851626 373526336 /nfs/dbraw/zinc/52/63/36/373526336.db2.gz WMOBSHHAMHQTCS-NTZNESFSSA-N 2 1 256.346 -0.206 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000398997227 373583818 /nfs/dbraw/zinc/58/38/18/373583818.db2.gz QBJTUDSRQQTMLV-CYBMUJFWSA-N 2 1 268.405 -0.133 20 0 CBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@](C)(CO)C(C)C ZINC000398552864 373584341 /nfs/dbraw/zinc/58/43/41/373584341.db2.gz OLMMBYWUJUNMNE-QWHCGFSZSA-N 2 1 262.394 -0.078 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(CO)C(C)C ZINC000398552864 373584342 /nfs/dbraw/zinc/58/43/42/373584342.db2.gz OLMMBYWUJUNMNE-QWHCGFSZSA-N 2 1 262.394 -0.078 20 0 CBADMP CC[C@H](C(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1)[NH+](C)C ZINC000413911262 373622811 /nfs/dbraw/zinc/62/28/11/373622811.db2.gz YIWRQSYSTFZBDV-NWDGAFQWSA-N 2 1 285.388 -0.110 20 0 CBADMP CC[C@H](C(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1)[NH+](C)C ZINC000413911262 373622814 /nfs/dbraw/zinc/62/28/14/373622814.db2.gz YIWRQSYSTFZBDV-NWDGAFQWSA-N 2 1 285.388 -0.110 20 0 CBADMP [NH3+]CC1(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000414661696 373625840 /nfs/dbraw/zinc/62/58/40/373625840.db2.gz XQTPQVOPZCRKBY-ZDUSSCGKSA-N 3 1 280.416 -0.131 20 0 CBADMP [NH3+]CC1(C[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000414661696 373625848 /nfs/dbraw/zinc/62/58/48/373625848.db2.gz XQTPQVOPZCRKBY-ZDUSSCGKSA-N 2 1 280.416 -0.131 20 0 CBADMP [NH3+]CC1(C[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000414661696 373625855 /nfs/dbraw/zinc/62/58/55/373625855.db2.gz XQTPQVOPZCRKBY-ZDUSSCGKSA-N 2 1 280.416 -0.131 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417098259 373629506 /nfs/dbraw/zinc/62/95/06/373629506.db2.gz YAPZNUKUTRANID-NSHDSACASA-N 2 1 260.382 -0.151 20 0 CBADMP COCC[N@H+](C)CCNC(=O)NCC(F)(F)C[NH3+] ZINC000417441729 373629547 /nfs/dbraw/zinc/62/95/47/373629547.db2.gz RAFAXIQQHWGTOC-UHFFFAOYSA-N 2 1 268.308 -0.542 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NCC(F)(F)C[NH3+] ZINC000417441729 373629552 /nfs/dbraw/zinc/62/95/52/373629552.db2.gz RAFAXIQQHWGTOC-UHFFFAOYSA-N 2 1 268.308 -0.542 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417437002 373629826 /nfs/dbraw/zinc/62/98/26/373629826.db2.gz GAUYMIZFVYIXDL-STQMWFEESA-N 2 1 284.404 -0.185 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418549442 373633594 /nfs/dbraw/zinc/63/35/94/373633594.db2.gz KSNKRIMIRMTVNB-NWDGAFQWSA-N 2 1 272.393 -0.402 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000423425922 373657882 /nfs/dbraw/zinc/65/78/82/373657882.db2.gz DQVGIZDXJJETFF-UHFFFAOYSA-N 2 1 282.388 -0.782 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418751952 373634745 /nfs/dbraw/zinc/63/47/45/373634745.db2.gz FZZRSBZZKGPMRW-SNVBAGLBSA-N 2 1 294.346 -0.403 20 0 CBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000418991346 373635799 /nfs/dbraw/zinc/63/57/99/373635799.db2.gz MOQIIYJRBRWHBN-GFCCVEGCSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C[C@@H]1C[NH3+] ZINC000419111744 373635976 /nfs/dbraw/zinc/63/59/76/373635976.db2.gz UNLUOZBAQYQGPN-RYUDHWBXSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419111651 373636158 /nfs/dbraw/zinc/63/61/58/373636158.db2.gz UGYDVRXLCSHCMT-DGCLKSJQSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000419403014 373639072 /nfs/dbraw/zinc/63/90/72/373639072.db2.gz CZCLNDPKKYNWTD-DGCLKSJQSA-N 2 1 296.415 -0.312 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)C1CC1 ZINC000419520980 373639217 /nfs/dbraw/zinc/63/92/17/373639217.db2.gz JHSYSXGDIGVHAS-RYUDHWBXSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCC[N@H+]1C ZINC000419542367 373639256 /nfs/dbraw/zinc/63/92/56/373639256.db2.gz FJPSPHNNGNKUFQ-WOPDTQHZSA-N 2 1 282.388 -0.547 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419837553 373640381 /nfs/dbraw/zinc/64/03/81/373640381.db2.gz DDJPDJCNOXYLLW-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419837553 373640386 /nfs/dbraw/zinc/64/03/86/373640386.db2.gz DDJPDJCNOXYLLW-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CCC[N@H+]1C ZINC000419562607 373641866 /nfs/dbraw/zinc/64/18/66/373641866.db2.gz VIRYKIAQZHASQR-NEPJUHHUSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000419893473 373643029 /nfs/dbraw/zinc/64/30/29/373643029.db2.gz VNAMQLIKFBFFGC-SRVKXCTJSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000419893473 373643041 /nfs/dbraw/zinc/64/30/41/373643041.db2.gz VNAMQLIKFBFFGC-SRVKXCTJSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C(C)C ZINC000419880204 373643634 /nfs/dbraw/zinc/64/36/34/373643634.db2.gz KLYGJOJOFDBIOZ-NSHDSACASA-N 2 1 270.377 -0.689 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000419893471 373643701 /nfs/dbraw/zinc/64/37/01/373643701.db2.gz VNAMQLIKFBFFGC-SDDRHHMPSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000419893471 373643709 /nfs/dbraw/zinc/64/37/09/373643709.db2.gz VNAMQLIKFBFFGC-SDDRHHMPSA-N 2 1 282.388 -0.594 20 0 CBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419957446 373643809 /nfs/dbraw/zinc/64/38/09/373643809.db2.gz PJQCDAQRLCUCQO-XQQFMLRXSA-N 2 1 296.415 -0.217 20 0 CBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420031017 373645324 /nfs/dbraw/zinc/64/53/24/373645324.db2.gz GVIOZSWGYJIYPB-OLZOCXBDSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420031017 373645334 /nfs/dbraw/zinc/64/53/34/373645334.db2.gz GVIOZSWGYJIYPB-OLZOCXBDSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420006722 373646645 /nfs/dbraw/zinc/64/66/45/373646645.db2.gz RHOSNKNBCITLQL-VXGBXAGGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420006722 373646658 /nfs/dbraw/zinc/64/66/58/373646658.db2.gz RHOSNKNBCITLQL-VXGBXAGGSA-N 2 1 284.404 -0.362 20 0 CBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)CC[NH3+])C[C@@H]1C ZINC000420011488 373646945 /nfs/dbraw/zinc/64/69/45/373646945.db2.gz YXAFSFAJXDOMSM-WOPDTQHZSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)CC[NH3+])C[C@@H]1C ZINC000420011488 373646953 /nfs/dbraw/zinc/64/69/53/373646953.db2.gz YXAFSFAJXDOMSM-WOPDTQHZSA-N 2 1 284.404 -0.219 20 0 CBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420031018 373647135 /nfs/dbraw/zinc/64/71/35/373647135.db2.gz GVIOZSWGYJIYPB-QWHCGFSZSA-N 2 1 296.415 -0.362 20 0 CBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420031018 373647137 /nfs/dbraw/zinc/64/71/37/373647137.db2.gz GVIOZSWGYJIYPB-QWHCGFSZSA-N 2 1 296.415 -0.362 20 0 CBADMP COC(=O)CC1(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000420302596 373648191 /nfs/dbraw/zinc/64/81/91/373648191.db2.gz WMRXYGBJNXKTEU-UHFFFAOYSA-N 2 1 283.372 -0.307 20 0 CBADMP COC(=O)CC1(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000420302596 373648200 /nfs/dbraw/zinc/64/82/00/373648200.db2.gz WMRXYGBJNXKTEU-UHFFFAOYSA-N 2 1 283.372 -0.307 20 0 CBADMP COC[C@]1(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC[NH2+]C1 ZINC000423371087 373656085 /nfs/dbraw/zinc/65/60/85/373656085.db2.gz AHQMQKQUIIMRCB-IPYPFGDCSA-N 2 1 299.415 -0.474 20 0 CBADMP COC[C@]1(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC[NH2+]C1 ZINC000423371087 373656089 /nfs/dbraw/zinc/65/60/89/373656089.db2.gz AHQMQKQUIIMRCB-IPYPFGDCSA-N 2 1 299.415 -0.474 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000423625002 373659958 /nfs/dbraw/zinc/65/99/58/373659958.db2.gz CIWNPKANEDCIMF-WUHRBBMRSA-N 2 1 296.415 -0.267 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000423625002 373659963 /nfs/dbraw/zinc/65/99/63/373659963.db2.gz CIWNPKANEDCIMF-WUHRBBMRSA-N 2 1 296.415 -0.267 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424459680 373665903 /nfs/dbraw/zinc/66/59/03/373665903.db2.gz HDUSYEUYFQCHBQ-JHJVBQTASA-N 2 1 283.420 -0.199 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000431004162 373675256 /nfs/dbraw/zinc/67/52/56/373675256.db2.gz INEGPWUNWICKKJ-CHWSQXEVSA-N 2 1 284.404 -0.883 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000442757399 373681295 /nfs/dbraw/zinc/68/12/95/373681295.db2.gz GQQZGSITUCUOLP-OBJOEFQTSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[C@H](C)[NH3+] ZINC000493766426 373729360 /nfs/dbraw/zinc/72/93/60/373729360.db2.gz JIZUTZMODSVVBV-VWYCJHECSA-N 2 1 270.377 -0.574 20 0 CBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[NH+](C2CC2)CC1 ZINC000333832979 205754926 /nfs/dbraw/zinc/75/49/26/205754926.db2.gz MUKJVXDCOBNMHH-ZDUSSCGKSA-N 2 1 282.388 -0.146 20 0 CBADMP NC(=O)c1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000521069885 373839598 /nfs/dbraw/zinc/83/95/98/373839598.db2.gz WUQMSEWSPOAKQH-QWHCGFSZSA-N 2 1 288.351 -0.471 20 0 CBADMP NC(=O)c1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000521069885 373839606 /nfs/dbraw/zinc/83/96/06/373839606.db2.gz WUQMSEWSPOAKQH-QWHCGFSZSA-N 2 1 288.351 -0.471 20 0 CBADMP COCC[N@@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])C1 ZINC000520830608 373835285 /nfs/dbraw/zinc/83/52/85/373835285.db2.gz OUXICZFFAGHSOZ-SECBINFHSA-N 2 1 265.304 -0.193 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])C1 ZINC000520830608 373835289 /nfs/dbraw/zinc/83/52/89/373835289.db2.gz OUXICZFFAGHSOZ-SECBINFHSA-N 2 1 265.304 -0.193 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)NCC1CC[NH2+]CC1 ZINC000515221322 373778963 /nfs/dbraw/zinc/77/89/63/373778963.db2.gz GTYOSYZLQRFORU-UHFFFAOYSA-N 2 1 272.393 -0.137 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000515380724 373787144 /nfs/dbraw/zinc/78/71/44/373787144.db2.gz FOHUDEQIDIRALM-ZYHUDNBSSA-N 2 1 292.387 -0.161 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000515499784 373788693 /nfs/dbraw/zinc/78/86/93/373788693.db2.gz GUKHOKKKOPLEJG-NSHDSACASA-N 2 1 272.393 -0.360 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)C1 ZINC000521269932 373841482 /nfs/dbraw/zinc/84/14/82/373841482.db2.gz GTYQPCDYFGTAFB-UKRRQHHQSA-N 2 1 297.399 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)C1 ZINC000521269932 373841491 /nfs/dbraw/zinc/84/14/91/373841491.db2.gz GTYQPCDYFGTAFB-UKRRQHHQSA-N 2 1 297.399 -0.720 20 0 CBADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CC(C)C1 ZINC000521456875 373844934 /nfs/dbraw/zinc/84/49/34/373844934.db2.gz IKQQZTYUEQWSTR-STQMWFEESA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1C[N@@H+](C)CCN1C[C@H](O)C[NH+](C)CCOC ZINC000521642450 373848914 /nfs/dbraw/zinc/84/89/14/373848914.db2.gz ZIDUCFAZMMSIBL-ZIAGYGMSSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[C@@H]1C[NH+](C)CCN1C[C@H](O)C[N@H+](C)CCOC ZINC000521642450 373848920 /nfs/dbraw/zinc/84/89/20/373848920.db2.gz ZIDUCFAZMMSIBL-ZIAGYGMSSA-N 2 1 273.421 -0.049 20 0 CBADMP CC[C@@H]1C[NH+](C)CCN1C[C@H](O)C[N@@H+](C)CCOC ZINC000521642450 373848928 /nfs/dbraw/zinc/84/89/28/373848928.db2.gz ZIDUCFAZMMSIBL-ZIAGYGMSSA-N 2 1 273.421 -0.049 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529347759 374009485 /nfs/dbraw/zinc/00/94/85/374009485.db2.gz BJKYEPGOMFXHLL-OLZOCXBDSA-N 2 1 296.415 -0.021 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529347759 374009488 /nfs/dbraw/zinc/00/94/88/374009488.db2.gz BJKYEPGOMFXHLL-OLZOCXBDSA-N 2 1 296.415 -0.021 20 0 CBADMP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3COCC[NH2+]3)C2)C1 ZINC000529386320 374024219 /nfs/dbraw/zinc/02/42/19/374024219.db2.gz KXLWEZFOUTURNF-JSGCOSHPSA-N 2 1 282.388 -0.288 20 0 CBADMP CNC(=O)NC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000530231623 374068820 /nfs/dbraw/zinc/06/88/20/374068820.db2.gz SAEULGGORZCAEA-NWDGAFQWSA-N 2 1 270.377 -0.384 20 0 CBADMP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000531297112 374129904 /nfs/dbraw/zinc/12/99/04/374129904.db2.gz PVRKMKBNISEHLB-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000531297112 374129910 /nfs/dbraw/zinc/12/99/10/374129910.db2.gz PVRKMKBNISEHLB-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@H]1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000531297112 374129914 /nfs/dbraw/zinc/12/99/14/374129914.db2.gz PVRKMKBNISEHLB-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[C@H]1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000531297112 374129917 /nfs/dbraw/zinc/12/99/17/374129917.db2.gz PVRKMKBNISEHLB-NWDGAFQWSA-N 2 1 255.362 -0.225 20 0 CBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1nc[nH]n1 ZINC000532287705 374164381 /nfs/dbraw/zinc/16/43/81/374164381.db2.gz ZWRPQDUBVQJTSE-UHFFFAOYSA-N 2 1 282.392 -0.311 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCO ZINC000548313334 374192640 /nfs/dbraw/zinc/19/26/40/374192640.db2.gz FETNUSXSIUVVIA-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCO ZINC000548313334 374192649 /nfs/dbraw/zinc/19/26/49/374192649.db2.gz FETNUSXSIUVVIA-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CCO ZINC000548313334 374192658 /nfs/dbraw/zinc/19/26/58/374192658.db2.gz FETNUSXSIUVVIA-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CCO ZINC000548313334 374192667 /nfs/dbraw/zinc/19/26/67/374192667.db2.gz FETNUSXSIUVVIA-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCO ZINC000548313334 374192674 /nfs/dbraw/zinc/19/26/74/374192674.db2.gz FETNUSXSIUVVIA-NEPJUHHUSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@]2(C)CO)CC1 ZINC000548914341 374222089 /nfs/dbraw/zinc/22/20/89/374222089.db2.gz DTRCQQSLYQWBGQ-CQSZACIVSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@]2(C)CO)CC1 ZINC000548914341 374222101 /nfs/dbraw/zinc/22/21/01/374222101.db2.gz DTRCQQSLYQWBGQ-CQSZACIVSA-N 2 1 269.389 -0.003 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000554560120 374277454 /nfs/dbraw/zinc/27/74/54/374277454.db2.gz ALMYFPUBRQWUDZ-STQMWFEESA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000554560120 374277465 /nfs/dbraw/zinc/27/74/65/374277465.db2.gz ALMYFPUBRQWUDZ-STQMWFEESA-N 2 1 296.415 -0.069 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCN1CCCC1=O ZINC000554819601 374283161 /nfs/dbraw/zinc/28/31/61/374283161.db2.gz BLFDXYZQASDHCP-UHFFFAOYSA-N 2 1 296.415 -0.295 20 0 CBADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCN1CCCC1=O ZINC000554819601 374283163 /nfs/dbraw/zinc/28/31/63/374283163.db2.gz BLFDXYZQASDHCP-UHFFFAOYSA-N 2 1 296.415 -0.295 20 0 CBADMP C[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000577850996 374339963 /nfs/dbraw/zinc/33/99/63/374339963.db2.gz WVIVUBKBPDUUMM-CHWSQXEVSA-N 2 1 268.405 -0.262 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)CCOC3C[NH2+]C3)[C@@H]2C1 ZINC000583320412 374361834 /nfs/dbraw/zinc/36/18/34/374361834.db2.gz SJDHNZUCBGZMQR-WCQYABFASA-N 2 1 267.373 -0.083 20 0 CBADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000577955504 374345919 /nfs/dbraw/zinc/34/59/19/374345919.db2.gz WATSDRFDFQQDKK-GHMZBOCLSA-N 2 1 271.361 -0.275 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645685045 374692047 /nfs/dbraw/zinc/69/20/47/374692047.db2.gz RJOPFPOOMSQYQN-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)COCC[NH3+] ZINC000645905742 374713496 /nfs/dbraw/zinc/71/34/96/374713496.db2.gz ZUSOPGXNDZPBEJ-NSHDSACASA-N 2 1 259.350 -0.811 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953292 374716636 /nfs/dbraw/zinc/71/66/36/374716636.db2.gz OAXXBVMMDODZJA-VXGBXAGGSA-N 2 1 255.362 -0.049 20 0 CBADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953154 374717520 /nfs/dbraw/zinc/71/75/20/374717520.db2.gz FLMKBXLPNXJMSQ-CHWSQXEVSA-N 2 1 294.399 -0.545 20 0 CBADMP O=C(CCOC1C[NH2+]C1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953211 374717861 /nfs/dbraw/zinc/71/78/61/374717861.db2.gz IUOQINKEZPRLGR-GFCCVEGCSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000645953477 374718869 /nfs/dbraw/zinc/71/88/69/374718869.db2.gz VIDOIRZVMXNUDN-RYUDHWBXSA-N 2 1 253.346 -0.425 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645961343 374719296 /nfs/dbraw/zinc/71/92/96/374719296.db2.gz SHFYLGLNKRPYII-CYBMUJFWSA-N 2 1 296.415 -0.347 20 0 CBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)CC[NH3+])C2)CC1 ZINC000645978013 374720974 /nfs/dbraw/zinc/72/09/74/374720974.db2.gz QTBWPHKZIQLKKB-LLVKDONJSA-N 2 1 254.378 -0.380 20 0 CBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)CC[NH3+])C2)CC1 ZINC000645978013 374720978 /nfs/dbraw/zinc/72/09/78/374720978.db2.gz QTBWPHKZIQLKKB-LLVKDONJSA-N 2 1 254.378 -0.380 20 0 CBADMP C[C@H]([NH3+])C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000646003033 374725535 /nfs/dbraw/zinc/72/55/35/374725535.db2.gz OGFIVRHDPYCLJQ-RYUDHWBXSA-N 2 1 254.378 -0.428 20 0 CBADMP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009580 374726426 /nfs/dbraw/zinc/72/64/26/374726426.db2.gz VMSMWESSEDXHBY-KBPBESRZSA-N 2 1 298.431 -0.364 20 0 CBADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009356 374726810 /nfs/dbraw/zinc/72/68/10/374726810.db2.gz DXNQQVNRCCRSIR-IHRRRGAJSA-N 2 1 298.431 -0.508 20 0 CBADMP CNC(=O)CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104062 374740732 /nfs/dbraw/zinc/74/07/32/374740732.db2.gz YVOTWYCOESBGIB-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP O=C(C[C@@H]1COCC[NH2+]1)NCC[N@H+]1CCCOCC1 ZINC000646505232 374782460 /nfs/dbraw/zinc/78/24/60/374782460.db2.gz FLVXCXOYKCSTRE-GFCCVEGCSA-N 2 1 271.361 -0.797 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000647082026 374882799 /nfs/dbraw/zinc/88/27/99/374882799.db2.gz BTWAOMRRVWJYQM-NWDGAFQWSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[NH+](C)CC3)[C@@H]2C1 ZINC000646914234 374840078 /nfs/dbraw/zinc/84/00/78/374840078.db2.gz SNXACJBHXNLBKH-QWHCGFSZSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[NH+](C)CC3)[C@@H]2C1 ZINC000646914234 374840080 /nfs/dbraw/zinc/84/00/80/374840080.db2.gz SNXACJBHXNLBKH-QWHCGFSZSA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CN2CC[NH+](C)CC2)C1 ZINC000646914235 374840312 /nfs/dbraw/zinc/84/03/12/374840312.db2.gz SNXACJBHXNLBKH-STQMWFEESA-N 2 1 266.389 -0.604 20 0 CBADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CN2CC[NH+](C)CC2)C1 ZINC000646914235 374840316 /nfs/dbraw/zinc/84/03/16/374840316.db2.gz SNXACJBHXNLBKH-STQMWFEESA-N 2 1 266.389 -0.604 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000574569740 335030202 /nfs/dbraw/zinc/03/02/02/335030202.db2.gz ZVNIFKQMBDFPKH-UMNHJUIQSA-N 2 1 258.366 -0.522 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000574569737 335030338 /nfs/dbraw/zinc/03/03/38/335030338.db2.gz ZVNIFKQMBDFPKH-NHCYSSNCSA-N 2 1 258.366 -0.522 20 0 CBADMP [NH3+][C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000261884682 190046083 /nfs/dbraw/zinc/04/60/83/190046083.db2.gz YXROSBHCNJANGI-MJBXVCDLSA-N 2 1 275.352 -0.072 20 0 CBADMP C[C@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000357181125 248332784 /nfs/dbraw/zinc/33/27/84/248332784.db2.gz WPVQZGOBOPABBE-GHMZBOCLSA-N 2 1 270.377 -0.715 20 0 CBADMP C[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)C[NH+]1CCOCC1 ZINC000357205235 248333521 /nfs/dbraw/zinc/33/35/21/248333521.db2.gz VAAFEDXZGMNKRS-OLZOCXBDSA-N 2 1 285.388 -0.551 20 0 CBADMP C[C@H](CNC(=O)[C@@H](C)C[NH3+])CN1CC[NH+](C)CC1 ZINC000357240092 248337862 /nfs/dbraw/zinc/33/78/62/248337862.db2.gz JEWBFGBOFLASHH-NEPJUHHUSA-N 2 1 256.394 -0.419 20 0 CBADMP C[C@@H](C[NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000357249352 248339488 /nfs/dbraw/zinc/33/94/88/248339488.db2.gz SEMRDJANRNHQFP-NWDGAFQWSA-N 2 1 284.404 -0.360 20 0 CBADMP C[NH2+]CCC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000357249328 248339505 /nfs/dbraw/zinc/33/95/05/248339505.db2.gz RZZFWWFNBDTTTH-GFCCVEGCSA-N 2 1 284.404 -0.345 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000357336052 248352043 /nfs/dbraw/zinc/35/20/43/248352043.db2.gz PWIMGSLWUQNRAO-AWEZNQCLSA-N 2 1 280.416 -0.071 20 0 CBADMP CN(CC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000357336052 248352044 /nfs/dbraw/zinc/35/20/44/248352044.db2.gz PWIMGSLWUQNRAO-AWEZNQCLSA-N 2 1 280.416 -0.071 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000357723722 248399014 /nfs/dbraw/zinc/39/90/14/248399014.db2.gz ATOUYMSWVYODGG-AWEZNQCLSA-N 2 1 284.404 -0.162 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000347032164 218098612 /nfs/dbraw/zinc/09/86/12/218098612.db2.gz YYYORZLXQBEGGR-SNVBAGLBSA-N 2 1 251.334 -0.303 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000347032164 218098613 /nfs/dbraw/zinc/09/86/13/218098613.db2.gz YYYORZLXQBEGGR-SNVBAGLBSA-N 2 1 251.334 -0.303 20 0 CBADMP Cn1nncc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347164956 218142678 /nfs/dbraw/zinc/14/26/78/218142678.db2.gz JKIUGFKZKDVEJO-LBPRGKRZSA-N 2 1 292.387 -0.541 20 0 CBADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000347175705 218144695 /nfs/dbraw/zinc/14/46/95/218144695.db2.gz QERGTQSBUPCQNA-NSHDSACASA-N 2 1 280.372 -0.485 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000347187533 218150083 /nfs/dbraw/zinc/15/00/83/218150083.db2.gz CDXJGFKPWGCDRM-WDEREUQCSA-N 2 1 280.372 -0.357 20 0 CBADMP C[N@H+]1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000347643199 218303542 /nfs/dbraw/zinc/30/35/42/218303542.db2.gz CGPMCEPSLCNVGE-GFCCVEGCSA-N 2 1 282.388 -0.591 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000353707010 220270252 /nfs/dbraw/zinc/27/02/52/220270252.db2.gz GXTJEQMTRZGTBR-RYUDHWBXSA-N 2 1 282.388 -0.430 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000353707010 220270253 /nfs/dbraw/zinc/27/02/53/220270253.db2.gz GXTJEQMTRZGTBR-RYUDHWBXSA-N 2 1 282.388 -0.430 20 0 CBADMP C[C@@H](CNC(=O)CNC(=O)C[NH3+])[N@H+]1CCCC[C@H]1C ZINC000347669011 218315009 /nfs/dbraw/zinc/31/50/09/218315009.db2.gz MGXYFSKUNQVRFF-MNOVXSKESA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)C[NH+](C)[C@H]1CCSC1 ZINC000347813017 218366173 /nfs/dbraw/zinc/36/61/73/218366173.db2.gz WIIZDNXEVGKYNP-LBPRGKRZSA-N 2 1 289.445 -0.146 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000347813017 218366176 /nfs/dbraw/zinc/36/61/76/218366176.db2.gz WIIZDNXEVGKYNP-LBPRGKRZSA-N 2 1 289.445 -0.146 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000347813017 218366177 /nfs/dbraw/zinc/36/61/77/218366177.db2.gz WIIZDNXEVGKYNP-LBPRGKRZSA-N 2 1 289.445 -0.146 20 0 CBADMP C[C@@H]1C[C@H](C)[N@H+](CCNS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000422635215 297367218 /nfs/dbraw/zinc/36/72/18/297367218.db2.gz LDHBOOYKNSTNKB-VWYCJHECSA-N 2 1 263.407 -0.159 20 0 CBADMP C[C@@H]1C[C@H](C)[N@@H+](CCNS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000422635215 297367219 /nfs/dbraw/zinc/36/72/19/297367219.db2.gz LDHBOOYKNSTNKB-VWYCJHECSA-N 2 1 263.407 -0.159 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000574754761 335044886 /nfs/dbraw/zinc/04/48/86/335044886.db2.gz KOXRYROTHDZONF-NSHDSACASA-N 2 1 269.345 -0.355 20 0 CBADMP CC[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000163369117 207395715 /nfs/dbraw/zinc/39/57/15/207395715.db2.gz RPFNDLZKUFTMAX-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCN1CC[NH2+]CC1 ZINC000417447262 207558037 /nfs/dbraw/zinc/55/80/37/207558037.db2.gz OVPPTEWQAVAFLF-CYBMUJFWSA-N 2 1 285.436 -0.079 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000342719935 532983359 /nfs/dbraw/zinc/98/33/59/532983359.db2.gz YHPJWPHQBMHZJX-NEPJUHHUSA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000423386839 285031882 /nfs/dbraw/zinc/03/18/82/285031882.db2.gz RSXLGWQCORUOOJ-NSHDSACASA-N 2 1 255.362 -0.177 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000376719512 285035877 /nfs/dbraw/zinc/03/58/77/285035877.db2.gz DFLISQZFGPZJDP-WCQYABFASA-N 2 1 273.352 -0.085 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000422776432 207861581 /nfs/dbraw/zinc/86/15/81/207861581.db2.gz ANPUQZQOJCUZLK-VXGBXAGGSA-N 2 1 255.362 -0.036 20 0 CBADMP O=C1NC(=O)[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)N1 ZINC000261935947 296357996 /nfs/dbraw/zinc/35/79/96/296357996.db2.gz MBWGSJZHXKUGDN-ZDUSSCGKSA-N 2 1 266.345 -0.340 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429672454 208127044 /nfs/dbraw/zinc/12/70/44/208127044.db2.gz DOIJVIQIAYUBDT-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429672454 208127051 /nfs/dbraw/zinc/12/70/51/208127051.db2.gz DOIJVIQIAYUBDT-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429680452 208127673 /nfs/dbraw/zinc/12/76/73/208127673.db2.gz SWMLBFIGWXUWEW-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429680452 208127678 /nfs/dbraw/zinc/12/76/78/208127678.db2.gz SWMLBFIGWXUWEW-STQMWFEESA-N 2 1 296.415 -0.264 20 0 CBADMP COC(=O)[C@@](C)(O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000429677666 208127736 /nfs/dbraw/zinc/12/77/36/208127736.db2.gz CNGVRLLYFRLVIV-AWEZNQCLSA-N 2 1 287.404 -0.520 20 0 CBADMP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429680450 208127927 /nfs/dbraw/zinc/12/79/27/208127927.db2.gz SWMLBFIGWXUWEW-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429680450 208127932 /nfs/dbraw/zinc/12/79/32/208127932.db2.gz SWMLBFIGWXUWEW-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000429455499 208121320 /nfs/dbraw/zinc/12/13/20/208121320.db2.gz RFEPYPISJJNXHX-NWDGAFQWSA-N 2 1 292.449 -0.251 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@H]([NH3+])C2)CC1 ZINC000430589649 208167272 /nfs/dbraw/zinc/16/72/72/208167272.db2.gz FJKAOYIPLMEMBM-NEPJUHHUSA-N 2 1 254.378 -0.428 20 0 CBADMP CNS(=O)(=O)CCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430594972 208167484 /nfs/dbraw/zinc/16/74/84/208167484.db2.gz WSNUEOSRALZZGL-UHFFFAOYSA-N 2 1 251.396 -0.158 20 0 CBADMP COCCCS(=O)(=O)NCC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430580488 208167520 /nfs/dbraw/zinc/16/75/20/208167520.db2.gz HQGWMHVJTIEOAR-LBPRGKRZSA-N 2 1 293.433 -0.341 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCCN2CCOCC2)C1 ZINC000430635986 208168515 /nfs/dbraw/zinc/16/85/15/208168515.db2.gz IASAESKMOWRCGK-CQSZACIVSA-N 2 1 298.431 -0.504 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000430725002 208175533 /nfs/dbraw/zinc/17/55/33/208175533.db2.gz WNNVKWNVAGMSDJ-HNNXBMFYSA-N 2 1 296.415 -0.345 20 0 CBADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC1CC1 ZINC000430629901 208168558 /nfs/dbraw/zinc/16/85/58/208168558.db2.gz QWEARYKIGQRJJA-LBPRGKRZSA-N 2 1 294.399 -0.591 20 0 CBADMP [NH3+]C[C@@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000430624727 208169754 /nfs/dbraw/zinc/16/97/54/208169754.db2.gz PEANERSUOIUKPM-LBPRGKRZSA-N 2 1 255.362 -0.094 20 0 CBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)COC1C[NH2+]C1 ZINC000430676568 208171990 /nfs/dbraw/zinc/17/19/90/208171990.db2.gz BZCRZPUVTRXYTA-JTQLQIEISA-N 2 1 266.345 -0.068 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000430717235 208176035 /nfs/dbraw/zinc/17/60/35/208176035.db2.gz YHZHBIZRNQZHLN-RYUDHWBXSA-N 2 1 255.362 -0.035 20 0 CBADMP Cc1cccc(NCCNC(=O)[C@H]2C[NH2+]CCO2)[nH+]1 ZINC000430717161 208174526 /nfs/dbraw/zinc/17/45/26/208174526.db2.gz FQHOKNCVQIPEPI-LLVKDONJSA-N 2 1 264.329 -0.093 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000430724353 208174600 /nfs/dbraw/zinc/17/46/00/208174600.db2.gz VGEVMCNSCYBNEG-VXGBXAGGSA-N 2 1 296.415 -0.217 20 0 CBADMP COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250180544 285076532 /nfs/dbraw/zinc/07/65/32/285076532.db2.gz VBKNHXZWDMCLJG-NEPJUHHUSA-N 2 1 255.362 -0.035 20 0 CBADMP CC[C@@H]1CN(C(=O)COC2C[NH2+]C2)CC[N@@H+]1CCOC ZINC000430735082 208178649 /nfs/dbraw/zinc/17/86/49/208178649.db2.gz XXQDVRMMIPSHJN-GFCCVEGCSA-N 2 1 285.388 -0.456 20 0 CBADMP CC[C@@H]1CN(C(=O)COC2C[NH2+]C2)CC[N@H+]1CCOC ZINC000430735082 208178654 /nfs/dbraw/zinc/17/86/54/208178654.db2.gz XXQDVRMMIPSHJN-GFCCVEGCSA-N 2 1 285.388 -0.456 20 0 CBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)COC2C[NH2+]C2)C[C@H](C)O1 ZINC000430748539 208180018 /nfs/dbraw/zinc/18/00/18/208180018.db2.gz QHNJTTYUUGZKAD-TXEJJXNPSA-N 2 1 299.415 -0.021 20 0 CBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)COC2C[NH2+]C2)C[C@H](C)O1 ZINC000430748539 208180023 /nfs/dbraw/zinc/18/00/23/208180023.db2.gz QHNJTTYUUGZKAD-TXEJJXNPSA-N 2 1 299.415 -0.021 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000430794809 208180605 /nfs/dbraw/zinc/18/06/05/208180605.db2.gz RQCJMTCLZIQJMV-ZDUSSCGKSA-N 2 1 296.415 -0.249 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000430792460 208182442 /nfs/dbraw/zinc/18/24/42/208182442.db2.gz RQCJMTCLZIQJMV-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP COCC[NH2+]CCNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422604482 285077968 /nfs/dbraw/zinc/07/79/68/285077968.db2.gz BYNDERDGYONTQE-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP C[NH2+]CCCC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000430891855 208186974 /nfs/dbraw/zinc/18/69/74/208186974.db2.gz XTZDMWIEEPSYMI-NSHDSACASA-N 2 1 270.377 -0.558 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000430890735 208187939 /nfs/dbraw/zinc/18/79/39/208187939.db2.gz UPARWONAGMOSPT-NEPJUHHUSA-N 2 1 282.388 -0.416 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000430893106 208188793 /nfs/dbraw/zinc/18/87/93/208188793.db2.gz CXMOHUMMEMOARV-STQMWFEESA-N 2 1 296.415 -0.168 20 0 CBADMP COCCC[NH+]1CCC(NC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000430901826 208189222 /nfs/dbraw/zinc/18/92/22/208189222.db2.gz VWTSBQVGRRFDEY-ZDUSSCGKSA-N 2 1 285.388 -0.408 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000430903748 208189438 /nfs/dbraw/zinc/18/94/38/208189438.db2.gz LAVCDRUCYUOPCF-NEPJUHHUSA-N 2 1 282.388 -0.416 20 0 CBADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430924659 208190194 /nfs/dbraw/zinc/19/01/94/208190194.db2.gz BDPLWPDGPFPWON-DTWKUNHWSA-N 2 1 254.334 -0.356 20 0 CBADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430924659 208190199 /nfs/dbraw/zinc/19/01/99/208190199.db2.gz BDPLWPDGPFPWON-DTWKUNHWSA-N 2 1 254.334 -0.356 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CC1CC[NH2+]CC1 ZINC000430897129 208191398 /nfs/dbraw/zinc/19/13/98/208191398.db2.gz KEIIECGGEFXOMK-ZDUSSCGKSA-N 2 1 296.415 -0.168 20 0 CBADMP C[C@H]1C[N@@H+](CCC(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000430920822 208191461 /nfs/dbraw/zinc/19/14/61/208191461.db2.gz QGWFEUAXUHVMNZ-NWDGAFQWSA-N 2 1 255.362 -0.096 20 0 CBADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430934479 208192292 /nfs/dbraw/zinc/19/22/92/208192292.db2.gz OZAZJVDDGGONTL-NXEZZACHSA-N 2 1 256.350 -0.110 20 0 CBADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430934479 208192297 /nfs/dbraw/zinc/19/22/97/208192297.db2.gz OZAZJVDDGGONTL-NXEZZACHSA-N 2 1 256.350 -0.110 20 0 CBADMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000430951332 208192883 /nfs/dbraw/zinc/19/28/83/208192883.db2.gz VBMJFVXIAVXYGL-LBPRGKRZSA-N 2 1 294.399 -0.652 20 0 CBADMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000430951332 208192886 /nfs/dbraw/zinc/19/28/86/208192886.db2.gz VBMJFVXIAVXYGL-LBPRGKRZSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH2+]CCCC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000431020710 208197544 /nfs/dbraw/zinc/19/75/44/208197544.db2.gz CXDHJBVWIMKPEL-LBPRGKRZSA-N 2 1 256.394 -0.262 20 0 CBADMP COCC[NH2+]CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000431021658 208200367 /nfs/dbraw/zinc/20/03/67/208200367.db2.gz AGNXDWPZYJVVID-ZYHUDNBSSA-N 2 1 255.362 -0.179 20 0 CBADMP C[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)C[NH+]1CCOCC1 ZINC000431048016 208202079 /nfs/dbraw/zinc/20/20/79/208202079.db2.gz YZWUHBMTVGTYBI-CHWSQXEVSA-N 2 1 285.388 -0.551 20 0 CBADMP COCC[NH+]1CCC(NC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000431049219 208202486 /nfs/dbraw/zinc/20/24/86/208202486.db2.gz NMXZOLVKAFZHOR-GFCCVEGCSA-N 2 1 271.361 -0.798 20 0 CBADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000432518650 208225039 /nfs/dbraw/zinc/22/50/39/208225039.db2.gz XYTVHQZBFOMYNE-HZSPNIEDSA-N 2 1 281.400 -0.101 20 0 CBADMP CC(C)[C@H](C[NH3+])C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000433160871 208239938 /nfs/dbraw/zinc/23/99/38/208239938.db2.gz WLLPXNLCVGGBRY-ZDUSSCGKSA-N 2 1 298.431 -0.114 20 0 CBADMP CC(C)[C@@H](C[NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000433146496 208240722 /nfs/dbraw/zinc/24/07/22/208240722.db2.gz VMZHLGMSAKKHHJ-QWHCGFSZSA-N 2 1 296.415 -0.360 20 0 CBADMP C[C@@H]([NH3+])CCC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000434679122 208264499 /nfs/dbraw/zinc/26/44/99/208264499.db2.gz AYHBPWKIUMGNQW-VXGBXAGGSA-N 2 1 284.404 -0.183 20 0 CBADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)(C)n1cncn1 ZINC000438822877 208312189 /nfs/dbraw/zinc/31/21/89/208312189.db2.gz ATUYVFVGVAWCSR-WDEREUQCSA-N 2 1 255.366 -0.086 20 0 CBADMP CC[N@@H+](CC(=O)NC[C@H]1C[NH+](C)CCN1C)C1CC1 ZINC000440953519 208347101 /nfs/dbraw/zinc/34/71/01/208347101.db2.gz GGJHHEJEHOSSMO-ZDUSSCGKSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[NH+](CC(=O)NC[C@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000440953519 208347103 /nfs/dbraw/zinc/34/71/03/208347103.db2.gz GGJHHEJEHOSSMO-ZDUSSCGKSA-N 2 1 268.405 -0.167 20 0 CBADMP CC[NH+](CC(=O)NC[C@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000440953519 208347106 /nfs/dbraw/zinc/34/71/06/208347106.db2.gz GGJHHEJEHOSSMO-ZDUSSCGKSA-N 2 1 268.405 -0.167 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442771025 208364299 /nfs/dbraw/zinc/36/42/99/208364299.db2.gz SKSJCFNUOVXUTB-GARJFASQSA-N 2 1 286.376 -0.484 20 0 CBADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442771025 208364301 /nfs/dbraw/zinc/36/43/01/208364301.db2.gz SKSJCFNUOVXUTB-GARJFASQSA-N 2 1 286.376 -0.484 20 0 CBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)N1CCOCC1 ZINC000442765395 208364678 /nfs/dbraw/zinc/36/46/78/208364678.db2.gz JLPXHNKAQGRYDQ-NWDGAFQWSA-N 2 1 255.362 -0.096 20 0 CBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000442757397 208364871 /nfs/dbraw/zinc/36/48/71/208364871.db2.gz GQQZGSITUCUOLP-DYEKYZERSA-N 2 1 296.415 -0.265 20 0 CBADMP COC[C@@H]([NH3+])C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000262303576 285224844 /nfs/dbraw/zinc/22/48/44/285224844.db2.gz OCZKAERKAXXJBP-ZIAGYGMSSA-N 2 1 298.431 -0.411 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C2([NH3+])CC2)CC1 ZINC000353182764 285320083 /nfs/dbraw/zinc/32/00/83/285320083.db2.gz KTAXIAHXKCYBKI-GFCCVEGCSA-N 2 1 268.405 -0.133 20 0 CBADMP CC[NH+]1CCN(C(=O)NCC[N@H+](C)CCOC)CC1 ZINC000171213202 335059427 /nfs/dbraw/zinc/05/94/27/335059427.db2.gz MLMGTRCNGCUNDF-UHFFFAOYSA-N 2 1 272.393 -0.088 20 0 CBADMP CC[NH+]1CCN(C(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000171213202 335059428 /nfs/dbraw/zinc/05/94/28/335059428.db2.gz MLMGTRCNGCUNDF-UHFFFAOYSA-N 2 1 272.393 -0.088 20 0 CBADMP [NH3+]CCCOC1CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000094072970 184754026 /nfs/dbraw/zinc/75/40/26/184754026.db2.gz QMSBNQSEEANLGO-UHFFFAOYSA-N 2 1 298.387 -0.196 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000449736238 285355216 /nfs/dbraw/zinc/35/52/16/285355216.db2.gz UNKLNDPGUZRLIK-YNEHKIRRSA-N 2 1 267.373 -0.083 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000449736238 285355219 /nfs/dbraw/zinc/35/52/19/285355219.db2.gz UNKLNDPGUZRLIK-YNEHKIRRSA-N 2 1 267.373 -0.083 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000262821596 285596376 /nfs/dbraw/zinc/59/63/76/285596376.db2.gz XFIOBTPJLLULCE-NWDGAFQWSA-N 2 1 273.377 -0.565 20 0 CBADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372099492 304370238 /nfs/dbraw/zinc/37/02/38/304370238.db2.gz VKBWZYQPAFVEBW-UPJWGTAASA-N 2 1 283.372 -0.968 20 0 CBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430924661 289332374 /nfs/dbraw/zinc/33/23/74/289332374.db2.gz BDPLWPDGPFPWON-RKDXNWHRSA-N 2 1 254.334 -0.356 20 0 CBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430924661 289332378 /nfs/dbraw/zinc/33/23/78/289332378.db2.gz BDPLWPDGPFPWON-RKDXNWHRSA-N 2 1 254.334 -0.356 20 0 CBADMP CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1)[C@@H]1CC[NH2+]C1 ZINC000576753821 335243350 /nfs/dbraw/zinc/24/33/50/335243350.db2.gz ZKRLGBZGAHFYKA-NXEZZACHSA-N 2 1 263.345 -0.080 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417760367 292337221 /nfs/dbraw/zinc/33/72/21/292337221.db2.gz XRTAVWSYESWWCH-LLVKDONJSA-N 2 1 258.366 -0.384 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C[NH+]1CCOCC1 ZINC000188748848 286874340 /nfs/dbraw/zinc/87/43/40/286874340.db2.gz OXWGSJZEVYGCOB-SDDRHHMPSA-N 2 1 273.352 -0.229 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000487335253 287093442 /nfs/dbraw/zinc/09/34/42/287093442.db2.gz HANCIUPGOYEPOX-UPJWGTAASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000487335253 287093445 /nfs/dbraw/zinc/09/34/45/287093445.db2.gz HANCIUPGOYEPOX-UPJWGTAASA-N 2 1 269.389 -0.291 20 0 CBADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662748568 413991889 /nfs/dbraw/zinc/99/18/89/413991889.db2.gz BMAQREIEKFUBAI-GFCCVEGCSA-N 2 1 267.373 -0.489 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662749754 413992073 /nfs/dbraw/zinc/99/20/73/413992073.db2.gz PSQYOSNRQBGUKF-MXWKQRLJSA-N 2 1 259.325 -0.395 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662749754 413992076 /nfs/dbraw/zinc/99/20/76/413992076.db2.gz PSQYOSNRQBGUKF-MXWKQRLJSA-N 2 1 259.325 -0.395 20 0 CBADMP CCC[N@@H+](C)CC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662753046 413992727 /nfs/dbraw/zinc/99/27/27/413992727.db2.gz LRLWCANMGPGLIC-UHFFFAOYSA-N 2 1 267.333 -0.401 20 0 CBADMP CN(C(=O)COCC[NH3+])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901647 414058516 /nfs/dbraw/zinc/05/85/16/414058516.db2.gz XWPIHOXBSXIFTO-AWEZNQCLSA-N 2 1 298.431 -0.411 20 0 CBADMP CN(C(=O)COCC[NH3+])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901647 414058524 /nfs/dbraw/zinc/05/85/24/414058524.db2.gz XWPIHOXBSXIFTO-AWEZNQCLSA-N 2 1 298.431 -0.411 20 0 CBADMP C[NH2+][C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(C)c1 ZINC000285698457 196370164 /nfs/dbraw/zinc/37/01/64/196370164.db2.gz BRJBYLPJRNRKRV-CHWSQXEVSA-N 2 1 277.372 -0.013 20 0 CBADMP C[NH2+][C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1cnn(C)c1 ZINC000285698457 196370165 /nfs/dbraw/zinc/37/01/65/196370165.db2.gz BRJBYLPJRNRKRV-CHWSQXEVSA-N 2 1 277.372 -0.013 20 0 CBADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000037393616 173174459 /nfs/dbraw/zinc/17/44/59/173174459.db2.gz HVEWQQIXMKIIKF-GFCCVEGCSA-N 2 1 255.362 -0.176 20 0 CBADMP CSCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000040459353 174269491 /nfs/dbraw/zinc/26/94/91/174269491.db2.gz NQDKOPSYDWTPJJ-NSHDSACASA-N 2 1 275.418 -0.095 20 0 CBADMP [NH3+]CC1(C(=O)NCCC[NH+]2CCOCC2)CCOCC1 ZINC000044762430 175246608 /nfs/dbraw/zinc/24/66/08/175246608.db2.gz FBWFWWHTGWHSIH-UHFFFAOYSA-N 2 1 285.388 -0.420 20 0 CBADMP CCS(=O)(=O)CC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063180077 175684067 /nfs/dbraw/zinc/68/40/67/175684067.db2.gz GPQRVSKOCWVBIA-LLVKDONJSA-N 2 1 291.417 -0.792 20 0 CBADMP CCS(=O)(=O)CC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063180077 175684069 /nfs/dbraw/zinc/68/40/69/175684069.db2.gz GPQRVSKOCWVBIA-LLVKDONJSA-N 2 1 291.417 -0.792 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000071378560 176142860 /nfs/dbraw/zinc/14/28/60/176142860.db2.gz ASLZXLDWCXPTKQ-GFCCVEGCSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000331370146 228095860 /nfs/dbraw/zinc/09/58/60/228095860.db2.gz CXYDVNBEOXTAGB-LOWVWBTDSA-N 2 1 294.399 -0.465 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000367159390 228150806 /nfs/dbraw/zinc/15/08/06/228150806.db2.gz NMSUFAOIPLWJSW-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367159390 228150808 /nfs/dbraw/zinc/15/08/08/228150808.db2.gz NMSUFAOIPLWJSW-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP COCC[NH+](C)CCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367159390 228150809 /nfs/dbraw/zinc/15/08/09/228150809.db2.gz NMSUFAOIPLWJSW-AWEZNQCLSA-N 2 1 298.431 -0.539 20 0 CBADMP [NH3+]CCn1cc(C(=O)N2CC[NH+](CC3CC3)CC2)nn1 ZINC000089699655 544437008 /nfs/dbraw/zinc/43/70/08/544437008.db2.gz BQSVSQBNXSSEJJ-UHFFFAOYSA-N 2 1 278.360 -0.595 20 0 CBADMP CN1CC[NH+](CCCNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000098061783 544447309 /nfs/dbraw/zinc/44/73/09/544447309.db2.gz ACYHUYKZZGXQQE-UHFFFAOYSA-N 2 1 284.404 -0.881 20 0 CBADMP C[C@H](CO)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000120833765 544451189 /nfs/dbraw/zinc/45/11/89/544451189.db2.gz SYXQOYJBAPNTHB-ZDUSSCGKSA-N 2 1 269.389 -0.145 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)CC[C@H]21 ZINC000227333988 544493870 /nfs/dbraw/zinc/49/38/70/544493870.db2.gz DTYIEBBCLNODOJ-ZIAGYGMSSA-N 2 1 280.416 -0.166 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)C[NH3+])CC[C@H]21 ZINC000227332872 544494879 /nfs/dbraw/zinc/49/48/79/544494879.db2.gz VKFILYGJCIHBHI-GHMZBOCLSA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)COCC[NH3+])CC[C@@H]21 ZINC000167531254 544479624 /nfs/dbraw/zinc/47/96/24/544479624.db2.gz XYPSQKZXBJHBHO-NEPJUHHUSA-N 2 1 255.362 -0.096 20 0 CBADMP COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000234827429 544503567 /nfs/dbraw/zinc/50/35/67/544503567.db2.gz WGEDLTNXDPNGPQ-WUHRBBMRSA-N 2 1 258.362 -0.450 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)[NH3+])CC1=O ZINC000249082705 544512702 /nfs/dbraw/zinc/51/27/02/544512702.db2.gz HRVOQRLKMSYCHA-FRRDWIJNSA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@H]1[NH3+] ZINC000251888223 544514691 /nfs/dbraw/zinc/51/46/91/544514691.db2.gz VUXCSFCATQLORC-ZYHUDNBSSA-N 2 1 280.372 -0.357 20 0 CBADMP CC[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@H]1[NH3+] ZINC000251888223 544514693 /nfs/dbraw/zinc/51/46/93/544514693.db2.gz VUXCSFCATQLORC-ZYHUDNBSSA-N 2 1 280.372 -0.357 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261868690 544517199 /nfs/dbraw/zinc/51/71/99/544517199.db2.gz XPISGQZFQLTLBH-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000037826905 419413214 /nfs/dbraw/zinc/41/32/14/419413214.db2.gz UZQTZQVYVQXLJM-UHFFFAOYSA-N 2 1 284.404 -0.928 20 0 CBADMP c1cnc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)nc1 ZINC000037632009 419413375 /nfs/dbraw/zinc/41/33/75/419413375.db2.gz JASYDTKUTKJYAO-UHFFFAOYSA-N 2 1 276.388 -0.496 20 0 CBADMP O=C(CC[NH2+]C[C@H](O)C[NH+]1CCCC1)N1CCOCC1 ZINC000124065632 419491689 /nfs/dbraw/zinc/49/16/89/419491689.db2.gz JKOIOXFCQYTGNU-ZDUSSCGKSA-N 2 1 285.388 -0.718 20 0 CBADMP Nc1nc(-n2cccn2)cc(NCC[N@@H+]2CC[C@H](O)C2)[nH+]1 ZINC000624772596 419425754 /nfs/dbraw/zinc/42/57/54/419425754.db2.gz ABNWOXQKMZDOLH-JTQLQIEISA-N 2 1 289.343 -0.277 20 0 CBADMP Nc1nc(-n2cccn2)cc(NCC[N@H+]2CC[C@H](O)C2)[nH+]1 ZINC000624772596 419425772 /nfs/dbraw/zinc/42/57/72/419425772.db2.gz ABNWOXQKMZDOLH-JTQLQIEISA-N 2 1 289.343 -0.277 20 0 CBADMP O=C(CN1CC[NH2+]CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044680851 419430043 /nfs/dbraw/zinc/43/00/43/419430043.db2.gz HWYSCADKTJFKAG-LLVKDONJSA-N 2 1 252.362 -0.756 20 0 CBADMP CNC(=O)[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660833753 419443716 /nfs/dbraw/zinc/44/37/16/419443716.db2.gz UXSIZQAGCQJZQO-RYUDHWBXSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660833753 419443727 /nfs/dbraw/zinc/44/37/27/419443727.db2.gz UXSIZQAGCQJZQO-RYUDHWBXSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000660833753 419443738 /nfs/dbraw/zinc/44/37/38/419443738.db2.gz UXSIZQAGCQJZQO-RYUDHWBXSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660833753 419443744 /nfs/dbraw/zinc/44/37/44/419443744.db2.gz UXSIZQAGCQJZQO-RYUDHWBXSA-N 2 1 257.378 -0.245 20 0 CBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCC1CC1 ZINC000071150218 419464293 /nfs/dbraw/zinc/46/42/93/419464293.db2.gz DTPBDLFXXAUJTD-UHFFFAOYSA-N 2 1 254.378 -0.650 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCC1CC1 ZINC000071150218 419464302 /nfs/dbraw/zinc/46/43/02/419464302.db2.gz DTPBDLFXXAUJTD-UHFFFAOYSA-N 2 1 254.378 -0.650 20 0 CBADMP O=C(C[NH2+]CC1CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186610661 419524207 /nfs/dbraw/zinc/52/42/07/419524207.db2.gz KVQNTTWUXYIODX-CYBMUJFWSA-N 2 1 294.399 -0.591 20 0 CBADMP Cc1ccc(NCCCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])[nH+]c1 ZINC000638117809 419526109 /nfs/dbraw/zinc/52/61/09/419526109.db2.gz XVDWXFNJOCFXEY-WCQYABFASA-N 2 1 278.356 0.424 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000662152395 419549794 /nfs/dbraw/zinc/54/97/94/419549794.db2.gz UAMRMOADIQIKJB-HUUCEWRRSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152395 419549796 /nfs/dbraw/zinc/54/97/96/419549796.db2.gz UAMRMOADIQIKJB-HUUCEWRRSA-N 2 1 285.432 -0.170 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152395 419549804 /nfs/dbraw/zinc/54/98/04/419549804.db2.gz UAMRMOADIQIKJB-HUUCEWRRSA-N 2 1 285.432 -0.170 20 0 CBADMP C[N@@H+](C[C@H](O)CN1CCC([NH+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000662150679 419551021 /nfs/dbraw/zinc/55/10/21/419551021.db2.gz ACHBBNZUTMXBBI-HOTGVXAUSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+](C[C@H](O)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000662150679 419551025 /nfs/dbraw/zinc/55/10/25/419551025.db2.gz ACHBBNZUTMXBBI-HOTGVXAUSA-N 2 1 297.443 -0.028 20 0 CBADMP C[NH+](C[C@H](O)CN1CCC([N@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000662150679 419551028 /nfs/dbraw/zinc/55/10/28/419551028.db2.gz ACHBBNZUTMXBBI-HOTGVXAUSA-N 2 1 297.443 -0.028 20 0 CBADMP COC[C@@H](C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)OC ZINC000662243581 419559018 /nfs/dbraw/zinc/55/90/18/419559018.db2.gz NCXBGLAKNZIVBG-ZIAGYGMSSA-N 2 1 299.415 -0.208 20 0 CBADMP CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254251 419560631 /nfs/dbraw/zinc/56/06/31/419560631.db2.gz GLBUXZSAHOPLHB-QWRGUYRKSA-N 2 1 289.401 -0.869 20 0 CBADMP COCCCNC(=O)C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248942 419563805 /nfs/dbraw/zinc/56/38/05/419563805.db2.gz MDSYHEMYKNIENF-GFCCVEGCSA-N 2 1 285.388 -0.408 20 0 CBADMP COCCCNC(=O)C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248942 419563812 /nfs/dbraw/zinc/56/38/12/419563812.db2.gz MDSYHEMYKNIENF-GFCCVEGCSA-N 2 1 285.388 -0.408 20 0 CBADMP NC(=O)[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249490 419563909 /nfs/dbraw/zinc/56/39/09/419563909.db2.gz VNTYVWRICIJQHY-MNOVXSKESA-N 2 1 253.346 -0.153 20 0 CBADMP CC[N@@H+](CCNC(=O)c1cn(CC[NH3+])nn1)C1CC1 ZINC000219910510 419564783 /nfs/dbraw/zinc/56/47/83/419564783.db2.gz UAKOVGMBLFYOEG-UHFFFAOYSA-N 2 1 266.349 -0.549 20 0 CBADMP C[C@H]1CC[C@H](C[N@H+](C)CC(=O)N2CC[NH2+]CC2)O1 ZINC000129372588 419497464 /nfs/dbraw/zinc/49/74/64/419497464.db2.gz ORKKRAYMQCMGCZ-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP C[C@H]1CC[C@H](C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)O1 ZINC000129372588 419497475 /nfs/dbraw/zinc/49/74/75/419497475.db2.gz ORKKRAYMQCMGCZ-NWDGAFQWSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661595838 419504985 /nfs/dbraw/zinc/50/49/85/419504985.db2.gz FDRZWDWJXZSEMI-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661595838 419504991 /nfs/dbraw/zinc/50/49/91/419504991.db2.gz FDRZWDWJXZSEMI-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661595838 419504998 /nfs/dbraw/zinc/50/49/98/419504998.db2.gz FDRZWDWJXZSEMI-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661595838 419505005 /nfs/dbraw/zinc/50/50/05/419505005.db2.gz FDRZWDWJXZSEMI-RWMBFGLXSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000172753193 419508139 /nfs/dbraw/zinc/50/81/39/419508139.db2.gz HTNXTOMCUIUVHQ-RYUDHWBXSA-N 2 1 255.362 -0.130 20 0 CBADMP C([C@H]1CCN(C[C@H]2C[NH2+]CCO2)C1)[NH+]1CCOCC1 ZINC000662263496 419567174 /nfs/dbraw/zinc/56/71/74/419567174.db2.gz MNDXCIBOPVWCAX-ZIAGYGMSSA-N 2 1 269.389 -0.371 20 0 CBADMP CN1CCC[C@H]([N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000662281934 419571170 /nfs/dbraw/zinc/57/11/70/419571170.db2.gz MOVXVMRYNXSVQY-STQMWFEESA-N 2 1 292.387 -0.006 20 0 CBADMP O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394384398 544580512 /nfs/dbraw/zinc/58/05/12/544580512.db2.gz JCWJRBQURFFMLA-STQMWFEESA-N 2 1 266.389 -0.365 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCCO1 ZINC000662283029 419573355 /nfs/dbraw/zinc/57/33/55/419573355.db2.gz ZQCINTITQDDMLL-NWDGAFQWSA-N 3 1 255.362 -0.443 20 0 CBADMP CNC(=O)CCC[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662278934 419573650 /nfs/dbraw/zinc/57/36/50/419573650.db2.gz OAIVQVOOVAQJCD-NSHDSACASA-N 2 1 255.362 -0.035 20 0 CBADMP Cc1[nH+]ccn1CCCN(CC[NH3+])C[C@H](O)CO ZINC000662288594 419577325 /nfs/dbraw/zinc/57/73/25/419577325.db2.gz QSVACVSMEQVXHZ-LBPRGKRZSA-N 2 1 256.350 -0.804 20 0 CBADMP COc1c(C)c[nH+]c(CN(CC[NH3+])C[C@H](O)CO)c1C ZINC000662288616 419577642 /nfs/dbraw/zinc/57/76/42/419577642.db2.gz RIJWSYWXHDHFLH-LBPRGKRZSA-N 2 1 283.372 -0.179 20 0 CBADMP C[C@@]1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC[NH2+]C1 ZINC000394381553 544581085 /nfs/dbraw/zinc/58/10/85/544581085.db2.gz MIKGWSHVDRVACV-TZMCWYRMSA-N 2 1 266.389 -0.508 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1CCC[NH2+]1 ZINC000394382536 544581131 /nfs/dbraw/zinc/58/11/31/544581131.db2.gz RYIGJTTXXFRJBD-VXGBXAGGSA-N 2 1 252.362 -0.756 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237256687 419578204 /nfs/dbraw/zinc/57/82/04/419578204.db2.gz KJKKLPLXARECAO-GFCCVEGCSA-N 2 1 273.377 -0.551 20 0 CBADMP COc1c(C)c[nH+]c(CN(CC[NH3+])C[C@@H](O)CO)c1C ZINC000662288615 419578725 /nfs/dbraw/zinc/57/87/25/419578725.db2.gz RIJWSYWXHDHFLH-GFCCVEGCSA-N 2 1 283.372 -0.179 20 0 CBADMP O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1CN2CCN1CCC2 ZINC000394388155 544581478 /nfs/dbraw/zinc/58/14/78/544581478.db2.gz YBDQHIFFZJNSEB-QWHCGFSZSA-N 2 1 266.389 -0.508 20 0 CBADMP C[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000237609574 419584078 /nfs/dbraw/zinc/58/40/78/419584078.db2.gz ZPEWPAXGGYTTJB-DZGCQCFKSA-N 2 1 282.432 -0.014 20 0 CBADMP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)C[C@H]21 ZINC000662315654 419584770 /nfs/dbraw/zinc/58/47/70/419584770.db2.gz ROHYTFZNPGOXLJ-XQHKEYJVSA-N 2 1 288.413 -0.270 20 0 CBADMP O=C(CC[N@H+]1CC[C@H]2COC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662317506 419585364 /nfs/dbraw/zinc/58/53/64/419585364.db2.gz QIJYUBAUMNKXLU-STQMWFEESA-N 2 1 267.373 -0.223 20 0 CBADMP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394381426 544582122 /nfs/dbraw/zinc/58/21/22/544582122.db2.gz RTENYEQVCAVWAB-CHWSQXEVSA-N 2 1 298.456 -0.412 20 0 CBADMP O=C(C[NH2+]C[C@@H]1CCCO1)NCCC[NH+]1CCOCC1 ZINC000237897324 419589263 /nfs/dbraw/zinc/58/92/63/419589263.db2.gz GGTBUMCVKSSYFL-ZDUSSCGKSA-N 2 1 285.388 -0.407 20 0 CBADMP CC[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC[C@@H]1[NH3+] ZINC000647498693 419591786 /nfs/dbraw/zinc/59/17/86/419591786.db2.gz NHNURCYSRAADGS-JQWIXIFHSA-N 2 1 280.372 -0.357 20 0 CBADMP CC1(C)CNCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000647500447 419594035 /nfs/dbraw/zinc/59/40/35/419594035.db2.gz PKMLKYAJOSESKU-GFCCVEGCSA-N 2 1 268.405 -0.133 20 0 CBADMP CC1(C)CNCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000647500447 419594040 /nfs/dbraw/zinc/59/40/40/419594040.db2.gz PKMLKYAJOSESKU-GFCCVEGCSA-N 2 1 268.405 -0.133 20 0 CBADMP C[N@@H+](C[C@@H](O)CNC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000647517308 419595540 /nfs/dbraw/zinc/59/55/40/419595540.db2.gz DHVOFBCQXBHMBW-KBPBESRZSA-N 2 1 271.405 -0.512 20 0 CBADMP [NH3+][C@@H](C(=O)NCCN1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000662400486 419597002 /nfs/dbraw/zinc/59/70/02/419597002.db2.gz ZDJFCEKJSGUTCJ-CYBMUJFWSA-N 2 1 298.337 -0.014 20 0 CBADMP C[NH2+]C[C@@H](O)CNC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647526524 419604208 /nfs/dbraw/zinc/60/42/08/419604208.db2.gz APXABEDMIXEIAE-CABCVRRESA-N 2 1 281.400 -0.351 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000647549747 419607798 /nfs/dbraw/zinc/60/77/98/419607798.db2.gz PAIPNDCJTDOUQN-SDDRHHMPSA-N 2 1 275.418 -0.145 20 0 CBADMP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000662463424 419613865 /nfs/dbraw/zinc/61/38/65/419613865.db2.gz WPNCSSYFMUESMC-CQSZACIVSA-N 2 1 298.431 -0.493 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(C(N)=O)CC1 ZINC000311171792 419617305 /nfs/dbraw/zinc/61/73/05/419617305.db2.gz TYKQHFRCVOPCAS-LBPRGKRZSA-N 2 1 257.378 -0.115 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(N)=O)CC1 ZINC000311171792 419617316 /nfs/dbraw/zinc/61/73/16/419617316.db2.gz TYKQHFRCVOPCAS-LBPRGKRZSA-N 2 1 257.378 -0.115 20 0 CBADMP COC[C@]1(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC[NH2+]C1 ZINC000310865517 419618144 /nfs/dbraw/zinc/61/81/44/419618144.db2.gz RKWBPIXIEBYFJT-YPMHNXCESA-N 2 1 255.362 -0.177 20 0 CBADMP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](CCO)CC1 ZINC000310801909 419620387 /nfs/dbraw/zinc/62/03/87/419620387.db2.gz ARLVKHOIPVDKMZ-ZDUSSCGKSA-N 2 1 259.394 -0.703 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](CCO)CC1 ZINC000310801909 419620391 /nfs/dbraw/zinc/62/03/91/419620391.db2.gz ARLVKHOIPVDKMZ-ZDUSSCGKSA-N 2 1 259.394 -0.703 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC1(O)CCOCC1 ZINC000311108151 419620642 /nfs/dbraw/zinc/62/06/42/419620642.db2.gz DPSIXZIKMZRIEN-LBPRGKRZSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC1(O)CCOCC1 ZINC000311108151 419620653 /nfs/dbraw/zinc/62/06/53/419620653.db2.gz DPSIXZIKMZRIEN-LBPRGKRZSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC1(O)CCOCC1 ZINC000311108151 419620661 /nfs/dbraw/zinc/62/06/61/419620661.db2.gz DPSIXZIKMZRIEN-LBPRGKRZSA-N 2 1 260.378 -0.228 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC1(O)CCOCC1 ZINC000311108151 419620666 /nfs/dbraw/zinc/62/06/66/419620666.db2.gz DPSIXZIKMZRIEN-LBPRGKRZSA-N 2 1 260.378 -0.228 20 0 CBADMP C[N@@H+]1CCN(C(=O)CNC(=O)C[NH3+])[C@@H](c2ccccc2)C1 ZINC000312842648 419622391 /nfs/dbraw/zinc/62/23/91/419622391.db2.gz HQOXCYXBWPRCQF-CYBMUJFWSA-N 2 1 290.367 -0.423 20 0 CBADMP C[N@H+]1CCN(C(=O)CNC(=O)C[NH3+])[C@@H](c2ccccc2)C1 ZINC000312842648 419622400 /nfs/dbraw/zinc/62/24/00/419622400.db2.gz HQOXCYXBWPRCQF-CYBMUJFWSA-N 2 1 290.367 -0.423 20 0 CBADMP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394377590 544579311 /nfs/dbraw/zinc/57/93/11/544579311.db2.gz DMIDEXCTFSWMSD-KGLIPLIRSA-N 2 1 280.416 -0.118 20 0 CBADMP CC[NH+]1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662524484 419630362 /nfs/dbraw/zinc/63/03/62/419630362.db2.gz WJDATAPCLSNPIT-UHFFFAOYSA-N 2 1 292.387 -0.020 20 0 CBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000647828572 419665104 /nfs/dbraw/zinc/66/51/04/419665104.db2.gz MVTHAJUBIFQYBU-UONOGXRCSA-N 2 1 299.415 -0.031 20 0 CBADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1(O)C[NH2+]C1 ZINC000662663023 419674946 /nfs/dbraw/zinc/67/49/46/419674946.db2.gz BYQJCJJHOAXUTA-ZDUSSCGKSA-N 2 1 275.352 -0.289 20 0 CBADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662672746 419678583 /nfs/dbraw/zinc/67/85/83/419678583.db2.gz CWYUWNFOKPKPAE-CHWSQXEVSA-N 2 1 285.388 -0.469 20 0 CBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662668261 419678840 /nfs/dbraw/zinc/67/88/40/419678840.db2.gz JWBIHQFKVJKPGU-MCIONIFRSA-N 2 1 299.415 -0.177 20 0 CBADMP C[N@@H+](CCNC(=O)C1(O)C[NH2+]C1)C1CCCCC1 ZINC000662680930 419681706 /nfs/dbraw/zinc/68/17/06/419681706.db2.gz OQKJOOOTUFPADR-UHFFFAOYSA-N 2 1 255.362 -0.299 20 0 CBADMP CN1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)[C@H](C[NH3+])C1 ZINC000647873514 419681937 /nfs/dbraw/zinc/68/19/37/419681937.db2.gz UYDHXLGDBPGIJB-MNOVXSKESA-N 2 1 277.372 -0.069 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[N@H+]1C ZINC000647874485 419682002 /nfs/dbraw/zinc/68/20/02/419682002.db2.gz ZSXAAOBIVIZQEM-GRYCIOLGSA-N 3 1 254.378 -0.572 20 0 CBADMP CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647877271 419683049 /nfs/dbraw/zinc/68/30/49/419683049.db2.gz MUNBTRJXHCCXFI-VXGBXAGGSA-N 2 1 275.418 0.000 20 0 CBADMP CS(=O)(=O)NC[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647877271 419683056 /nfs/dbraw/zinc/68/30/56/419683056.db2.gz MUNBTRJXHCCXFI-VXGBXAGGSA-N 2 1 275.418 0.000 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000647882234 419684080 /nfs/dbraw/zinc/68/40/80/419684080.db2.gz ZICWKJKKUCDJFR-NSHDSACASA-N 2 1 256.350 -0.549 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662688336 419687278 /nfs/dbraw/zinc/68/72/78/419687278.db2.gz OJQFDDNCFWERJW-SNVBAGLBSA-N 2 1 291.359 -0.192 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662699538 419688636 /nfs/dbraw/zinc/68/86/36/419688636.db2.gz BYSBLLRIVGLEAQ-NSHDSACASA-N 2 1 255.362 -0.443 20 0 CBADMP C[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000662702317 419692381 /nfs/dbraw/zinc/69/23/81/419692381.db2.gz YLGKGTXOFYARTK-JHJVBQTASA-N 2 1 285.388 -0.565 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000662702841 419692692 /nfs/dbraw/zinc/69/26/92/419692692.db2.gz NWBUVHYNCNTJQP-DLOVCJGASA-N 2 1 253.346 -0.297 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662703216 419692808 /nfs/dbraw/zinc/69/28/08/419692808.db2.gz GWIIYLCXHRHSSU-VXGBXAGGSA-N 2 1 282.388 -0.545 20 0 CBADMP C[NH2+]CCN(C)C(=O)NCC[N@@H+](C)CCCOC ZINC000417761023 544590930 /nfs/dbraw/zinc/59/09/30/544590930.db2.gz YLYKTVMFQJWUPW-UHFFFAOYSA-N 2 1 260.382 -0.185 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000662703010 419695459 /nfs/dbraw/zinc/69/54/59/419695459.db2.gz GNVLBTXLVYYXNP-LLVKDONJSA-N 2 1 280.376 -0.159 20 0 CBADMP COCCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000647986124 419702962 /nfs/dbraw/zinc/70/29/62/419702962.db2.gz SOQBOUQJFVUPGJ-ZDUSSCGKSA-N 2 1 299.415 -0.174 20 0 CBADMP COCCCNC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000647986124 419702970 /nfs/dbraw/zinc/70/29/70/419702970.db2.gz SOQBOUQJFVUPGJ-ZDUSSCGKSA-N 2 1 299.415 -0.174 20 0 CBADMP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@@H]1C ZINC000662725293 419704346 /nfs/dbraw/zinc/70/43/46/419704346.db2.gz YUGCBBRPPMWYKY-YNEHKIRRSA-N 2 1 285.388 -0.471 20 0 CBADMP COCC[N@H+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@@H]1C ZINC000662725293 419704347 /nfs/dbraw/zinc/70/43/47/419704347.db2.gz YUGCBBRPPMWYKY-YNEHKIRRSA-N 2 1 285.388 -0.471 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662743281 419705416 /nfs/dbraw/zinc/70/54/16/419705416.db2.gz NFZDEYYYIAVILY-NEPJUHHUSA-N 2 1 273.377 -0.565 20 0 CBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C1(O)C[NH2+]C1 ZINC000662744316 419706716 /nfs/dbraw/zinc/70/67/16/419706716.db2.gz CBWABGXCVLULQN-NSHDSACASA-N 2 1 255.362 -0.347 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])n1C ZINC000662730131 419706773 /nfs/dbraw/zinc/70/67/73/419706773.db2.gz SDGPTACFDHABEB-GHMZBOCLSA-N 2 1 281.360 -0.534 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[N@H+]1C1CC1 ZINC000647995924 419707433 /nfs/dbraw/zinc/70/74/33/419707433.db2.gz BQXQBISPZGVBCH-XCCSTKFXSA-N 2 1 296.415 -0.072 20 0 CBADMP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000662567447 419642968 /nfs/dbraw/zinc/64/29/68/419642968.db2.gz KCNLJNNRTBYCRZ-CMPLNLGQSA-N 2 1 261.341 -0.101 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[N@H+]1C ZINC000647728222 419643638 /nfs/dbraw/zinc/64/36/38/419643638.db2.gz NBKKCRLNLMBEAI-FRRDWIJNSA-N 2 1 296.415 -0.360 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000662622845 419653745 /nfs/dbraw/zinc/65/37/45/419653745.db2.gz UUVLCVVVONORKF-GHMZBOCLSA-N 2 1 255.362 -0.036 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000405268289 544588322 /nfs/dbraw/zinc/58/83/22/544588322.db2.gz SNOXPZMXDXSRJG-MJBXVCDLSA-N 2 1 271.405 -0.562 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405268289 544588328 /nfs/dbraw/zinc/58/83/28/544588328.db2.gz SNOXPZMXDXSRJG-MJBXVCDLSA-N 2 1 271.405 -0.562 20 0 CBADMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405268289 544588331 /nfs/dbraw/zinc/58/83/31/544588331.db2.gz SNOXPZMXDXSRJG-MJBXVCDLSA-N 2 1 271.405 -0.562 20 0 CBADMP O=C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCNCC1 ZINC000647799726 419659194 /nfs/dbraw/zinc/65/91/94/419659194.db2.gz PGCAJXZZONCFFS-JHJVBQTASA-N 2 1 266.389 -0.604 20 0 CBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662789728 419728083 /nfs/dbraw/zinc/72/80/83/419728083.db2.gz DHJHWYCZLYLDBP-JOCQHMNTSA-N 2 1 268.405 -0.180 20 0 CBADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000662796856 419730792 /nfs/dbraw/zinc/73/07/92/419730792.db2.gz CUILZYIYVHYQQN-NEPJUHHUSA-N 2 1 271.361 -0.811 20 0 CBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662820627 419737212 /nfs/dbraw/zinc/73/72/12/419737212.db2.gz VDIWIHQKDAQEEZ-QWHCGFSZSA-N 2 1 299.415 -0.081 20 0 CBADMP C[N@H+]1CC[C@](N)(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000648124345 419742196 /nfs/dbraw/zinc/74/21/96/419742196.db2.gz XWPRABGMAWEYST-NQBHXWOUSA-N 2 1 252.362 -0.770 20 0 CBADMP CN1CC[C@]([NH3+])(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000648124345 419742197 /nfs/dbraw/zinc/74/21/97/419742197.db2.gz XWPRABGMAWEYST-NQBHXWOUSA-N 2 1 252.362 -0.770 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662846711 419743510 /nfs/dbraw/zinc/74/35/10/419743510.db2.gz TUAIEPXLJQDMGO-SNVBAGLBSA-N 2 1 255.362 -0.443 20 0 CBADMP [NH3+]CCn1cc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)nn1 ZINC000662835728 419743806 /nfs/dbraw/zinc/74/38/06/419743806.db2.gz RVPGGLGRVAQFRF-YPMHNXCESA-N 2 1 292.387 -0.017 20 0 CBADMP [NH3+]CC(=O)NCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662836965 419745459 /nfs/dbraw/zinc/74/54/59/419745459.db2.gz FCEVSDWCVBNOSB-WDEREUQCSA-N 2 1 268.361 -0.806 20 0 CBADMP CC1(OCC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C[NH2+]C1 ZINC000648130156 419745885 /nfs/dbraw/zinc/74/58/85/419745885.db2.gz LPGMQJJZMATNLL-CYBMUJFWSA-N 2 1 290.367 -0.067 20 0 CBADMP C[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)N1CC[NH+](C)CC1 ZINC000648140654 419751481 /nfs/dbraw/zinc/75/14/81/419751481.db2.gz FSMTVEDGFQLSTF-SRVKXCTJSA-N 2 1 272.368 -0.562 20 0 CBADMP CC1(OCC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C[NH2+]C1 ZINC000648144760 419754913 /nfs/dbraw/zinc/75/49/13/419754913.db2.gz SCTVAVMZTYSGGF-LLVKDONJSA-N 2 1 259.325 -0.475 20 0 CBADMP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000662860931 419758053 /nfs/dbraw/zinc/75/80/53/419758053.db2.gz VPFFUFKCKSXOBR-NSHDSACASA-N 2 1 274.434 -0.351 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000648150070 419758840 /nfs/dbraw/zinc/75/88/40/419758840.db2.gz UVLFQSTZFRMOQH-ITGUQSILSA-N 2 1 267.373 -0.368 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)COC3(C)C[NH2+]C3)[C@@H]2C1 ZINC000648168926 419762652 /nfs/dbraw/zinc/76/26/52/419762652.db2.gz HOVKURKJIYRRJO-VXGBXAGGSA-N 2 1 267.373 -0.083 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662907345 419766227 /nfs/dbraw/zinc/76/62/27/419766227.db2.gz SYBZQBLHXRTEAQ-UMVBOHGHSA-N 2 1 278.400 -0.508 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCC[NH3+])CC[N@@H+]1C ZINC000662938142 419787319 /nfs/dbraw/zinc/78/73/19/419787319.db2.gz LLHMJFYUQYGGKM-GFCCVEGCSA-N 2 1 284.404 -0.408 20 0 CBADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCC[NH3+])CC[N@H+]1C ZINC000662938142 419787326 /nfs/dbraw/zinc/78/73/26/419787326.db2.gz LLHMJFYUQYGGKM-GFCCVEGCSA-N 2 1 284.404 -0.408 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662907336 419767810 /nfs/dbraw/zinc/76/78/10/419767810.db2.gz SYBZQBLHXRTEAQ-IPYPFGDCSA-N 2 1 278.400 -0.508 20 0 CBADMP CC[C@H]([NH2+]C)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662906370 419768136 /nfs/dbraw/zinc/76/81/36/419768136.db2.gz IYBLOSGWAOPJHW-RYUDHWBXSA-N 2 1 254.378 -0.510 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH3+])CC[N@@H+]1C ZINC000662938143 419787812 /nfs/dbraw/zinc/78/78/12/419787812.db2.gz LLHMJFYUQYGGKM-LBPRGKRZSA-N 2 1 284.404 -0.408 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC[NH2+]1 ZINC000662905785 419768418 /nfs/dbraw/zinc/76/84/18/419768418.db2.gz FSGUDOGHWAKQQK-IHRRRGAJSA-N 2 1 280.416 -0.119 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH3+])CC[N@H+]1C ZINC000662938143 419787818 /nfs/dbraw/zinc/78/78/18/419787818.db2.gz LLHMJFYUQYGGKM-LBPRGKRZSA-N 2 1 284.404 -0.408 20 0 CBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000662906407 419769672 /nfs/dbraw/zinc/76/96/72/419769672.db2.gz KAQSIDNECDUCIN-IIAWOOMASA-N 2 1 292.427 -0.118 20 0 CBADMP CC[N@H+]1CCCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662921782 419775328 /nfs/dbraw/zinc/77/53/28/419775328.db2.gz DWHCFRYZMYYVHV-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP C[C@@H](C(=O)NCC12CC(C1)C[NH2+]2)N1CC[NH+](C)CC1 ZINC000662922601 419777725 /nfs/dbraw/zinc/77/77/25/419777725.db2.gz LMNBRROJNBLSKR-DCBWTQNWSA-N 2 1 266.389 -0.510 20 0 CBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662930383 419782200 /nfs/dbraw/zinc/78/22/00/419782200.db2.gz PMYGSSRSFWLUQD-UHFFFAOYSA-N 2 1 284.404 -0.264 20 0 CBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662786031 419722622 /nfs/dbraw/zinc/72/26/22/419722622.db2.gz YQUMALXVKSCZLL-UMNHJUIQSA-N 2 1 259.325 -0.490 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662788145 419723663 /nfs/dbraw/zinc/72/36/63/419723663.db2.gz XVTYBXQDOXUWRX-OLZOCXBDSA-N 2 1 285.388 -0.469 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000518471632 544601493 /nfs/dbraw/zinc/60/14/93/544601493.db2.gz XBYLKIMXNUIVQO-UONOGXRCSA-N 2 1 273.421 -0.191 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351516523 419822570 /nfs/dbraw/zinc/82/25/70/419822570.db2.gz GFIUBMABENOZSJ-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000649076015 419834504 /nfs/dbraw/zinc/83/45/04/419834504.db2.gz OPQQHPCSCXOYMU-RYUDHWBXSA-N 2 1 282.388 -0.341 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1O ZINC000663773620 419859291 /nfs/dbraw/zinc/85/92/91/419859291.db2.gz HQQUYTQANKGJFC-WOPDTQHZSA-N 2 1 270.377 -0.603 20 0 CBADMP CCCC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000353594843 419838541 /nfs/dbraw/zinc/83/85/41/419838541.db2.gz YYUJGHKXXFNBLP-VXGBXAGGSA-N 2 1 284.404 -0.040 20 0 CBADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353437638 419839836 /nfs/dbraw/zinc/83/98/36/419839836.db2.gz JFIUCHVGMCZQHS-USZNOCQGSA-N 2 1 284.404 -0.328 20 0 CBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353437638 419839842 /nfs/dbraw/zinc/83/98/42/419839842.db2.gz JFIUCHVGMCZQHS-USZNOCQGSA-N 2 1 284.404 -0.328 20 0 CBADMP C[NH2+]C[C@H](C)NCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000663509392 419841716 /nfs/dbraw/zinc/84/17/16/419841716.db2.gz XOBRHIFLGIUDNI-LBPRGKRZSA-N 2 1 278.404 -0.074 20 0 CBADMP C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)CCO2 ZINC000649132371 419842371 /nfs/dbraw/zinc/84/23/71/419842371.db2.gz XAVONMNTGCFULW-CYBMUJFWSA-N 2 1 297.399 -0.360 20 0 CBADMP C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)CCO2 ZINC000649132371 419842374 /nfs/dbraw/zinc/84/23/74/419842374.db2.gz XAVONMNTGCFULW-CYBMUJFWSA-N 2 1 297.399 -0.360 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000649274623 419859582 /nfs/dbraw/zinc/85/95/82/419859582.db2.gz SGSYVVRVMKZRNV-KBPBESRZSA-N 2 1 298.431 -0.411 20 0 CBADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000649224653 419854208 /nfs/dbraw/zinc/85/42/08/419854208.db2.gz APDXNWCJZLKGII-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000649224653 419854212 /nfs/dbraw/zinc/85/42/12/419854212.db2.gz APDXNWCJZLKGII-CHWSQXEVSA-N 2 1 296.415 -0.393 20 0 CBADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662941590 419788240 /nfs/dbraw/zinc/78/82/40/419788240.db2.gz YBQUOXQNVWBEGR-UHFFFAOYSA-N 2 1 295.387 -0.153 20 0 CBADMP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000648721514 419798454 /nfs/dbraw/zinc/79/84/54/419798454.db2.gz TYGKUNBZYXIALT-CHWSQXEVSA-N 2 1 268.405 -0.310 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000649296462 419866083 /nfs/dbraw/zinc/86/60/83/419866083.db2.gz HGGZMKDERDALPO-GFCCVEGCSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@H](NC(=O)[C@@]1(N)CC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000649314750 419879729 /nfs/dbraw/zinc/87/97/29/419879729.db2.gz OBWSADNAKSPXLL-SMDDNHRTSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H](NC(=O)[C@@]1([NH3+])CCN(C)C1)C1CC[NH+](C)CC1 ZINC000649314750 419879736 /nfs/dbraw/zinc/87/97/36/419879736.db2.gz OBWSADNAKSPXLL-SMDDNHRTSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H](NC(=O)[C@@]1(N)CC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000649314747 419880014 /nfs/dbraw/zinc/88/00/14/419880014.db2.gz OBWSADNAKSPXLL-BXUZGUMPSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H](NC(=O)[C@@]1([NH3+])CCN(C)C1)C1CC[NH+](C)CC1 ZINC000649314747 419880020 /nfs/dbraw/zinc/88/00/20/419880020.db2.gz OBWSADNAKSPXLL-BXUZGUMPSA-N 2 1 268.405 -0.134 20 0 CBADMP [NH3+]C1(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCC1 ZINC000649321426 419884006 /nfs/dbraw/zinc/88/40/06/419884006.db2.gz XLAZPVFXTVPDSK-NEPJUHHUSA-N 2 1 267.373 -0.075 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CCC[N@@H+](C)C2)C[C@@H]1O ZINC000663773619 419860116 /nfs/dbraw/zinc/86/01/16/419860116.db2.gz HQQUYTQANKGJFC-SRVKXCTJSA-N 2 1 270.377 -0.603 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000666922362 544650367 /nfs/dbraw/zinc/65/03/67/544650367.db2.gz OYOVNTZBPXLILP-AGIUHOORSA-N 2 1 284.404 -0.213 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649343191 419899240 /nfs/dbraw/zinc/89/92/40/419899240.db2.gz MUBSGGNYHDMGSV-IMRBUKKESA-N 2 1 294.399 -0.926 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649352914 419904176 /nfs/dbraw/zinc/90/41/76/419904176.db2.gz UFRFGFQNYKSSQZ-KXNHARMFSA-N 2 1 252.362 -0.901 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)CCC[N@H+]1C ZINC000358658678 419908720 /nfs/dbraw/zinc/90/87/20/419908720.db2.gz DYCZGTYJVMGORC-MBNYWOFBSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CCC[NH+]1C ZINC000358658678 419908725 /nfs/dbraw/zinc/90/87/25/419908725.db2.gz DYCZGTYJVMGORC-MBNYWOFBSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CCC[NH+]1C ZINC000358658678 419908728 /nfs/dbraw/zinc/90/87/28/419908728.db2.gz DYCZGTYJVMGORC-MBNYWOFBSA-N 2 1 284.404 -0.165 20 0 CBADMP OCC[N@@H+](CC[C@@H]1CC[NH2+]C1)CCN1CCOCC1 ZINC000649411782 419909437 /nfs/dbraw/zinc/90/94/37/419909437.db2.gz BNNYCHYPOPYTES-AWEZNQCLSA-N 2 1 271.405 -0.388 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)CCC[N@H+]1C ZINC000358658675 419910454 /nfs/dbraw/zinc/91/04/54/419910454.db2.gz DYCZGTYJVMGORC-DYEKYZERSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CCC[NH+]1C ZINC000358658675 419910458 /nfs/dbraw/zinc/91/04/58/419910458.db2.gz DYCZGTYJVMGORC-DYEKYZERSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@@H]1[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CCC[NH+]1C ZINC000358658675 419910463 /nfs/dbraw/zinc/91/04/63/419910463.db2.gz DYCZGTYJVMGORC-DYEKYZERSA-N 2 1 284.404 -0.165 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358680604 419912925 /nfs/dbraw/zinc/91/29/25/419912925.db2.gz AZDZMGHPRMVKBR-YPMHNXCESA-N 2 1 272.393 -0.308 20 0 CBADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664726656 419914792 /nfs/dbraw/zinc/91/47/92/419914792.db2.gz UPRHJKGFNDBTLI-CYBMUJFWSA-N 2 1 291.351 -0.104 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)C1 ZINC000668658016 544712970 /nfs/dbraw/zinc/71/29/70/544712970.db2.gz CMKSJSMYJIVCTP-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000668658016 544712972 /nfs/dbraw/zinc/71/29/72/544712972.db2.gz CMKSJSMYJIVCTP-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000668658016 544712976 /nfs/dbraw/zinc/71/29/76/544712976.db2.gz CMKSJSMYJIVCTP-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669452007 544749837 /nfs/dbraw/zinc/74/98/37/544749837.db2.gz NSHMUDYZHVKHDK-STQMWFEESA-N 2 1 284.404 -0.042 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000669524698 544752732 /nfs/dbraw/zinc/75/27/32/544752732.db2.gz ZIANSXUTKKJTKZ-MBNYWOFBSA-N 2 1 295.431 -0.104 20 0 CBADMP C[NH+]1CCC([NH2+]C2CC(NS(C)(=O)=O)C2)CC1 ZINC000669831874 544763299 /nfs/dbraw/zinc/76/32/99/544763299.db2.gz CHVZIIZAKZOOJG-UHFFFAOYSA-N 2 1 261.391 -0.250 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+](CCCO)C2CC2)CC1 ZINC000669929884 544767702 /nfs/dbraw/zinc/76/77/02/544767702.db2.gz BROVYXONEXMGOE-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCCO)C2CC2)CC1 ZINC000669929884 544767705 /nfs/dbraw/zinc/76/77/05/544767705.db2.gz BROVYXONEXMGOE-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)C[C@@H]1O ZINC000664925755 419918764 /nfs/dbraw/zinc/91/87/64/419918764.db2.gz BEWSKYOJIWOLCB-ICCXJUOJSA-N 2 1 293.371 -0.417 20 0 CBADMP COC[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000649744942 419927833 /nfs/dbraw/zinc/92/78/33/419927833.db2.gz UOEHBQKZOKZKKL-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP COC[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000649744942 419927839 /nfs/dbraw/zinc/92/78/39/419927839.db2.gz UOEHBQKZOKZKKL-QWHCGFSZSA-N 2 1 285.388 -0.768 20 0 CBADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000671820983 544835404 /nfs/dbraw/zinc/83/54/04/544835404.db2.gz XSMFTIVSBHJKFB-NEPJUHHUSA-N 2 1 284.404 -0.347 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2COC)CC1 ZINC000649741093 419929079 /nfs/dbraw/zinc/92/90/79/419929079.db2.gz APLYNXGRIOOKTF-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2COC)CC1 ZINC000649741093 419929081 /nfs/dbraw/zinc/92/90/81/419929081.db2.gz APLYNXGRIOOKTF-UONOGXRCSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)CCN1CC[N@H+](CC2(O)CCCC2)CC1=O ZINC000649686987 419925122 /nfs/dbraw/zinc/92/51/22/419925122.db2.gz DFMSDPDLUHCITK-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP C[NH+](C)CCN1CC[N@@H+](CC2(O)CCCC2)CC1=O ZINC000649686987 419925126 /nfs/dbraw/zinc/92/51/26/419925126.db2.gz DFMSDPDLUHCITK-UHFFFAOYSA-N 2 1 269.389 -0.003 20 0 CBADMP CCN1CC[NH+](CCC(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359428797 419963725 /nfs/dbraw/zinc/96/37/25/419963725.db2.gz HVIISBGSSRVHED-KBPBESRZSA-N 2 1 280.416 -0.308 20 0 CBADMP CCO[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1C[NH3+] ZINC000650714421 419965955 /nfs/dbraw/zinc/96/59/55/419965955.db2.gz BPTODCDPTNPOQA-MGPQQGTHSA-N 3 1 298.431 -0.521 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000650876011 419970977 /nfs/dbraw/zinc/97/09/77/419970977.db2.gz NWOIDWVHWVGPMJ-BXUZGUMPSA-N 2 1 294.399 -0.317 20 0 CBADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650876011 419970981 /nfs/dbraw/zinc/97/09/81/419970981.db2.gz NWOIDWVHWVGPMJ-BXUZGUMPSA-N 2 1 294.399 -0.317 20 0 CBADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650876011 419970986 /nfs/dbraw/zinc/97/09/86/419970986.db2.gz NWOIDWVHWVGPMJ-BXUZGUMPSA-N 2 1 294.399 -0.317 20 0 CBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650876011 419970994 /nfs/dbraw/zinc/97/09/94/419970994.db2.gz NWOIDWVHWVGPMJ-BXUZGUMPSA-N 2 1 294.399 -0.317 20 0 CBADMP C[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CCO)[NH+](C)C ZINC000650982422 419976376 /nfs/dbraw/zinc/97/63/76/419976376.db2.gz MVSKBAWZZRDCGE-NWDGAFQWSA-N 2 1 257.378 -0.101 20 0 CBADMP CN(C)c1nc(N2CCN(CC[NH+](C)C)C(=O)C2)cc[nH+]1 ZINC000651383161 420008978 /nfs/dbraw/zinc/00/89/78/420008978.db2.gz MIUYEPFEHZYHGD-UHFFFAOYSA-N 2 1 292.387 -0.247 20 0 CBADMP C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2CC[N@@H+](C)C2)n1 ZINC000361819608 420023650 /nfs/dbraw/zinc/02/36/50/420023650.db2.gz PSWMTVJQMXKYLM-GFCCVEGCSA-N 2 1 294.403 0.518 20 0 CBADMP C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[N@H+]1CCC[C@H](C)C1 ZINC000364214868 420031350 /nfs/dbraw/zinc/03/13/50/420031350.db2.gz MPFABAJCRQHCAK-WUHRBBMRSA-N 2 1 269.389 -0.054 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000364256980 420033051 /nfs/dbraw/zinc/03/30/51/420033051.db2.gz RBWDNICUCCAYEQ-ZDUSSCGKSA-N 2 1 296.415 -0.201 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652150404 420049312 /nfs/dbraw/zinc/04/93/12/420049312.db2.gz VKWXWSHUDXIJLU-AWEZNQCLSA-N 2 1 297.447 -0.079 20 0 CBADMP C[C@@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)C1C[NH2+]C1 ZINC000365047199 420053260 /nfs/dbraw/zinc/05/32/60/420053260.db2.gz XRKWDQFXIXANFW-TZMCWYRMSA-N 2 1 296.415 -0.931 20 0 CBADMP C[C@@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)C1C[NH2+]C1 ZINC000365047199 420053261 /nfs/dbraw/zinc/05/32/61/420053261.db2.gz XRKWDQFXIXANFW-TZMCWYRMSA-N 2 1 296.415 -0.931 20 0 CBADMP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1C(=O)C1C[NH2+]C1 ZINC000365047199 420053266 /nfs/dbraw/zinc/05/32/66/420053266.db2.gz XRKWDQFXIXANFW-TZMCWYRMSA-N 2 1 296.415 -0.931 20 0 CBADMP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)C1C[NH2+]C1 ZINC000365047199 420053269 /nfs/dbraw/zinc/05/32/69/420053269.db2.gz XRKWDQFXIXANFW-TZMCWYRMSA-N 2 1 296.415 -0.931 20 0 CBADMP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1CC ZINC000365091692 420054292 /nfs/dbraw/zinc/05/42/92/420054292.db2.gz OOWQMMORFXEFDQ-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1CC ZINC000365091692 420054298 /nfs/dbraw/zinc/05/42/98/420054298.db2.gz OOWQMMORFXEFDQ-BFHYXJOUSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652232177 420054359 /nfs/dbraw/zinc/05/43/59/420054359.db2.gz SIDNSOHIGVSQJN-LBPRGKRZSA-N 2 1 284.404 -0.177 20 0 CBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652232177 420054365 /nfs/dbraw/zinc/05/43/65/420054365.db2.gz SIDNSOHIGVSQJN-LBPRGKRZSA-N 2 1 284.404 -0.177 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000652337327 420057300 /nfs/dbraw/zinc/05/73/00/420057300.db2.gz CTAVHWCWQYIXAR-YPMHNXCESA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000652337327 420057303 /nfs/dbraw/zinc/05/73/03/420057303.db2.gz CTAVHWCWQYIXAR-YPMHNXCESA-N 2 1 270.377 -0.554 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365156979 420057475 /nfs/dbraw/zinc/05/74/75/420057475.db2.gz QBFASUNBUKHKGP-QJPTWQEYSA-N 2 1 255.362 -0.348 20 0 CBADMP CCC[N@H+](C)CC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652889044 420096877 /nfs/dbraw/zinc/09/68/77/420096877.db2.gz DACIXSXJDZGZDF-GFCCVEGCSA-N 2 1 255.362 -0.394 20 0 CBADMP CCC[N@@H+](C)CC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652889044 420096882 /nfs/dbraw/zinc/09/68/82/420096882.db2.gz DACIXSXJDZGZDF-GFCCVEGCSA-N 2 1 255.362 -0.394 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652889044 420096887 /nfs/dbraw/zinc/09/68/87/420096887.db2.gz DACIXSXJDZGZDF-GFCCVEGCSA-N 2 1 255.362 -0.394 20 0 CBADMP CCC[NH+](C)CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652889044 420096890 /nfs/dbraw/zinc/09/68/90/420096890.db2.gz DACIXSXJDZGZDF-GFCCVEGCSA-N 2 1 255.362 -0.394 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367288058 420100975 /nfs/dbraw/zinc/10/09/75/420100975.db2.gz UUGPWKBIACHZQQ-DTWKUNHWSA-N 2 1 263.288 -0.570 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@@H](n3cncn3)C2)CC1 ZINC000367306689 420102572 /nfs/dbraw/zinc/10/25/72/420102572.db2.gz ZPDJXZALXSFROY-CYBMUJFWSA-N 2 1 292.387 -0.311 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](n3cncn3)C2)CC1 ZINC000367306689 420102576 /nfs/dbraw/zinc/10/25/76/420102576.db2.gz ZPDJXZALXSFROY-CYBMUJFWSA-N 2 1 292.387 -0.311 20 0 CBADMP CCN1CCOC[C@H]1C(=O)NCC[N@@H+](C)CCCOC ZINC000367295504 420103274 /nfs/dbraw/zinc/10/32/74/420103274.db2.gz KSJGJCUWEWRHGZ-ZDUSSCGKSA-N 2 1 287.404 -0.208 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111377 420116051 /nfs/dbraw/zinc/11/60/51/420116051.db2.gz NNISLGBXHPEZGG-JSGCOSHPSA-N 2 1 285.388 -0.693 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000653105147 420116155 /nfs/dbraw/zinc/11/61/55/420116155.db2.gz HSVWKIDIQVPUAN-VXGBXAGGSA-N 2 1 256.394 -0.134 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653109576 420116760 /nfs/dbraw/zinc/11/67/60/420116760.db2.gz FZRBGFRAQCVGHX-CYBMUJFWSA-N 2 1 296.415 -0.344 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000653108168 420117293 /nfs/dbraw/zinc/11/72/93/420117293.db2.gz LDGWUJFDUDVCCC-LBPRGKRZSA-N 2 1 254.378 -0.428 20 0 CBADMP O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000367832911 420117336 /nfs/dbraw/zinc/11/73/36/420117336.db2.gz RUBRBEWNCBJCFC-LSDHHAIUSA-N 2 1 289.379 -0.043 20 0 CBADMP C[NH+](C)CC[C@H](N)C(=O)NCC[NH+]1CCSCC1 ZINC000653110324 420117383 /nfs/dbraw/zinc/11/73/83/420117383.db2.gz CUIHJXLFBHDYRQ-NSHDSACASA-N 2 1 274.434 -0.570 20 0 CBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653114126 420118711 /nfs/dbraw/zinc/11/87/11/420118711.db2.gz ZCODSBHEOOEZBL-DYEKYZERSA-N 2 1 267.373 -0.320 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000653116840 420118735 /nfs/dbraw/zinc/11/87/35/420118735.db2.gz WENLMTXJZQXSRT-CHWSQXEVSA-N 2 1 286.420 -0.508 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653124018 420119755 /nfs/dbraw/zinc/11/97/55/420119755.db2.gz OEZWCFQYPYOEGY-WXHSDQCUSA-N 2 1 268.405 -0.136 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653123669 420119785 /nfs/dbraw/zinc/11/97/85/420119785.db2.gz DASQMPGYHLQMAI-MPXAEWJHSA-N 2 1 279.384 -0.179 20 0 CBADMP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000653117416 420120281 /nfs/dbraw/zinc/12/02/81/420120281.db2.gz LFGNDUNMACXJOC-WHOFXGATSA-N 2 1 279.384 -0.083 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653155731 420123969 /nfs/dbraw/zinc/12/39/69/420123969.db2.gz DLHCRWUNNYPHNF-LBPRGKRZSA-N 2 1 256.394 -0.182 20 0 CBADMP C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C3C[NH2+]C3)C2)CC1 ZINC000368265023 420126617 /nfs/dbraw/zinc/12/66/17/420126617.db2.gz RAUIFWFWYVFYLW-LBPRGKRZSA-N 2 1 294.399 -0.782 20 0 CBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@H]2CO)C1=O ZINC000653285494 420137328 /nfs/dbraw/zinc/13/73/28/420137328.db2.gz QJEWGMUTPXYFGP-NWDGAFQWSA-N 2 1 283.372 -0.478 20 0 CBADMP [NH3+]CC1(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000652676642 420070910 /nfs/dbraw/zinc/07/09/10/420070910.db2.gz DDYUXIGEDMSVSS-LLVKDONJSA-N 2 1 294.399 -0.416 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000652705258 420075144 /nfs/dbraw/zinc/07/51/44/420075144.db2.gz CMGGZJNMMJCWBQ-ZDUSSCGKSA-N 2 1 298.431 -0.099 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000652705473 420075724 /nfs/dbraw/zinc/07/57/24/420075724.db2.gz IOPMGPGGPSKCJQ-CHWSQXEVSA-N 2 1 298.431 -0.114 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652725655 420077602 /nfs/dbraw/zinc/07/76/02/420077602.db2.gz PRDATGGTHYSTEZ-ZDUSSCGKSA-N 2 1 296.415 -0.297 20 0 CBADMP NC(=O)[C@]1(O)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000370599287 420183204 /nfs/dbraw/zinc/18/32/04/420183204.db2.gz WULXZLMRCVZCFC-ZDUSSCGKSA-N 2 1 255.362 -0.216 20 0 CBADMP NC(=O)[C@]1(O)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000370599287 420183208 /nfs/dbraw/zinc/18/32/08/420183208.db2.gz WULXZLMRCVZCFC-ZDUSSCGKSA-N 2 1 255.362 -0.216 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000370766945 420184777 /nfs/dbraw/zinc/18/47/77/420184777.db2.gz QMRPXQJSQPTGLI-CQSZACIVSA-N 2 1 287.404 -0.303 20 0 CBADMP C[C@@H](CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C ZINC000654583227 420186896 /nfs/dbraw/zinc/18/68/96/420186896.db2.gz KXZMISPWBVUUCP-SDDRHHMPSA-N 2 1 270.377 -0.603 20 0 CBADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H](C)[NH3+])CC2)C1 ZINC000370780616 420186909 /nfs/dbraw/zinc/18/69/09/420186909.db2.gz UMVTYAHHNBBZAG-STQMWFEESA-N 2 1 284.404 -0.802 20 0 CBADMP CC[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H](C)[NH3+])CC2)C1 ZINC000370780616 420186913 /nfs/dbraw/zinc/18/69/13/420186913.db2.gz UMVTYAHHNBBZAG-STQMWFEESA-N 2 1 284.404 -0.802 20 0 CBADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)C(C)(C)[NH3+])CC2)C1 ZINC000370780188 420188416 /nfs/dbraw/zinc/18/84/16/420188416.db2.gz QZQRDCPBYRNFJR-ZDUSSCGKSA-N 2 1 298.431 -0.411 20 0 CBADMP CC[N@H+]1CCO[C@H](CN2CCN(C(=O)C(C)(C)[NH3+])CC2)C1 ZINC000370780188 420188419 /nfs/dbraw/zinc/18/84/19/420188419.db2.gz QZQRDCPBYRNFJR-ZDUSSCGKSA-N 2 1 298.431 -0.411 20 0 CBADMP CCN1CC[NH+](CCCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000370780529 420188442 /nfs/dbraw/zinc/18/84/42/420188442.db2.gz SVHKDPCSCOWFAO-AWEZNQCLSA-N 2 1 286.395 -0.168 20 0 CBADMP C[N@@H+](C[C@@H](O)Cn1cc(CCC[NH3+])nn1)C1CC1 ZINC000386061786 420203807 /nfs/dbraw/zinc/20/38/07/420203807.db2.gz DOJDFTPQYZWMGW-GFCCVEGCSA-N 2 1 253.350 -0.376 20 0 CBADMP C[C@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000388499586 420204450 /nfs/dbraw/zinc/20/44/50/420204450.db2.gz GZCROELXQVFQJI-ZYHUDNBSSA-N 2 1 291.417 -0.623 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000388558256 420204852 /nfs/dbraw/zinc/20/48/52/420204852.db2.gz ZYKBYRIJHDLYAI-NWDGAFQWSA-N 2 1 293.433 -0.376 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000388558258 420205906 /nfs/dbraw/zinc/20/59/06/420205906.db2.gz ZYKBYRIJHDLYAI-VXGBXAGGSA-N 2 1 293.433 -0.376 20 0 CBADMP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000672982552 544865743 /nfs/dbraw/zinc/86/57/43/544865743.db2.gz YUBXMTIRTIQTCZ-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)[C@H](C)[C@H]1C ZINC000653596933 420151770 /nfs/dbraw/zinc/15/17/70/420151770.db2.gz UMVHSMDSJZPZEQ-MCIONIFRSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000653596933 420151773 /nfs/dbraw/zinc/15/17/73/420151773.db2.gz UMVHSMDSJZPZEQ-MCIONIFRSA-N 2 1 273.421 -0.050 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000653596933 420151775 /nfs/dbraw/zinc/15/17/75/420151775.db2.gz UMVHSMDSJZPZEQ-MCIONIFRSA-N 2 1 273.421 -0.050 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](NC(=O)NC)C1 ZINC000653618378 420153860 /nfs/dbraw/zinc/15/38/60/420153860.db2.gz DKDXKKRJBHQUKP-GHMZBOCLSA-N 2 1 258.366 -0.698 20 0 CBADMP CCN1CCO[C@H](C(=O)NCC[N@@H+](C)CCOC)C1 ZINC000369679825 420162970 /nfs/dbraw/zinc/16/29/70/420162970.db2.gz XYLTUINLSSTNJJ-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)CCOC)C1 ZINC000369679825 420162977 /nfs/dbraw/zinc/16/29/77/420162977.db2.gz XYLTUINLSSTNJJ-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)CCOC)C1 ZINC000369679825 420162998 /nfs/dbraw/zinc/16/29/98/420162998.db2.gz XYLTUINLSSTNJJ-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)CCOC)C1 ZINC000369679825 420162999 /nfs/dbraw/zinc/16/29/99/420162999.db2.gz XYLTUINLSSTNJJ-LBPRGKRZSA-N 2 1 273.377 -0.599 20 0 CBADMP Cn1ccnc(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1=O ZINC000369697137 420164798 /nfs/dbraw/zinc/16/47/98/420164798.db2.gz WIRNXHZEMMEEIH-LBPRGKRZSA-N 2 1 291.399 0.361 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000369926344 420169224 /nfs/dbraw/zinc/16/92/24/420169224.db2.gz ISTSHVWDWZQTMW-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP CC[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000369926344 420169229 /nfs/dbraw/zinc/16/92/29/420169229.db2.gz ISTSHVWDWZQTMW-CQSZACIVSA-N 2 1 298.431 -0.539 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654395406 420176206 /nfs/dbraw/zinc/17/62/06/420176206.db2.gz LXOQHVXMTXVBCC-RWMBFGLXSA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654395406 420176213 /nfs/dbraw/zinc/17/62/13/420176213.db2.gz LXOQHVXMTXVBCC-RWMBFGLXSA-N 2 1 282.388 -0.459 20 0 CBADMP C[NH+]1CCC[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654395406 420176217 /nfs/dbraw/zinc/17/62/17/420176217.db2.gz LXOQHVXMTXVBCC-RWMBFGLXSA-N 2 1 282.388 -0.459 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654438441 420179103 /nfs/dbraw/zinc/17/91/03/420179103.db2.gz DMPRTLXYRNDFDK-HZSPNIEDSA-N 2 1 297.447 -0.128 20 0 CBADMP C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000655096155 420221661 /nfs/dbraw/zinc/22/16/61/420221661.db2.gz FSVZEGDIWQKIIE-WYUUTHIRSA-N 2 1 255.362 -0.540 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000405075887 420225713 /nfs/dbraw/zinc/22/57/13/420225713.db2.gz JPABICXJVCOPKO-QWHCGFSZSA-N 2 1 297.403 -0.316 20 0 CBADMP CCO[C@@H]1C[N@@H+](CCN2CCOCC2)C[C@H]1C[NH3+] ZINC000405890865 420227708 /nfs/dbraw/zinc/22/77/08/420227708.db2.gz WZSTYQRAIDXXPT-CHWSQXEVSA-N 2 1 257.378 -0.386 20 0 CBADMP CC(C)[C@@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C ZINC000655296541 420240488 /nfs/dbraw/zinc/24/04/88/420240488.db2.gz PACUAGYEDTUZSQ-XQQFMLRXSA-N 2 1 269.389 -0.150 20 0 CBADMP C[NH+](C)CCn1ccc(NC(=O)NCC(F)(F)C[NH3+])n1 ZINC000415207234 420240743 /nfs/dbraw/zinc/24/07/43/420240743.db2.gz CORKUAPJWOQUKC-UHFFFAOYSA-N 2 1 290.318 0.160 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418568860 420242318 /nfs/dbraw/zinc/24/23/18/420242318.db2.gz BPCRKPRQINCVOS-NWDGAFQWSA-N 2 1 272.393 -0.130 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418578838 420242349 /nfs/dbraw/zinc/24/23/49/420242349.db2.gz JLNRSEJWEDNMAG-AGIUHOORSA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418578838 420242352 /nfs/dbraw/zinc/24/23/52/420242352.db2.gz JLNRSEJWEDNMAG-AGIUHOORSA-N 2 1 284.404 -0.036 20 0 CBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419032917 420243010 /nfs/dbraw/zinc/24/30/10/420243010.db2.gz XPXVZSCFEAXUMU-MNOVXSKESA-N 2 1 270.377 -0.702 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419107308 420243709 /nfs/dbraw/zinc/24/37/09/420243709.db2.gz PMJYXMAPYXKBRD-MNOVXSKESA-N 2 1 282.388 -0.417 20 0 CBADMP Cc1ccc(NCCCNC(=O)C(=O)NCCC[NH3+])[nH+]c1 ZINC000419104238 420243924 /nfs/dbraw/zinc/24/39/24/420243924.db2.gz TTWFLIMIKUMCOI-UHFFFAOYSA-N 2 1 293.371 -0.227 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419575160 420246065 /nfs/dbraw/zinc/24/60/65/420246065.db2.gz AAZBLIFTNFWAFC-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419523645 420246132 /nfs/dbraw/zinc/24/61/32/420246132.db2.gz OVACMJZMCGLNOM-NSHDSACASA-N 2 1 272.393 -0.489 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419700069 420246262 /nfs/dbraw/zinc/24/62/62/420246262.db2.gz WYRNGJCJLRTULO-NWDGAFQWSA-N 2 1 296.415 -0.027 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000420006608 420247242 /nfs/dbraw/zinc/24/72/42/420247242.db2.gz ZJEKVABRNHEQFU-STQMWFEESA-N 2 1 298.431 -0.116 20 0 CBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000420006608 420247245 /nfs/dbraw/zinc/24/72/45/420247245.db2.gz ZJEKVABRNHEQFU-STQMWFEESA-N 2 1 298.431 -0.116 20 0 CBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000420015880 420248046 /nfs/dbraw/zinc/24/80/46/420248046.db2.gz MMXCRGNIWGXGCS-NWDGAFQWSA-N 2 1 284.404 -0.362 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655449746 420250510 /nfs/dbraw/zinc/25/05/10/420250510.db2.gz NTKRLVHLLMZBAE-IPYPFGDCSA-N 2 1 280.416 -0.262 20 0 CBADMP C[C@@H]1CC[NH2+]C[C@H]1NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000422891016 420253701 /nfs/dbraw/zinc/25/37/01/420253701.db2.gz UJOJDUJXWUVCEB-JHJVBQTASA-N 2 1 268.405 -0.086 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CC[NH3+])CC[N@@H+]1C ZINC000423385746 420255914 /nfs/dbraw/zinc/25/59/14/420255914.db2.gz RACLTMNIXIEFBV-NSHDSACASA-N 2 1 270.377 -0.798 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CC[NH3+])CC[N@H+]1C ZINC000423385746 420255916 /nfs/dbraw/zinc/25/59/16/420255916.db2.gz RACLTMNIXIEFBV-NSHDSACASA-N 2 1 270.377 -0.798 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000423370757 420256092 /nfs/dbraw/zinc/25/60/92/420256092.db2.gz DUYIJMQSICMROF-LBPRGKRZSA-N 2 1 284.404 -0.537 20 0 CBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000423370757 420256098 /nfs/dbraw/zinc/25/60/98/420256098.db2.gz DUYIJMQSICMROF-LBPRGKRZSA-N 2 1 284.404 -0.537 20 0 CBADMP COCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430604984 420272889 /nfs/dbraw/zinc/27/28/89/420272889.db2.gz RVVPSVTURUPGDU-LBPRGKRZSA-N 2 1 255.362 -0.223 20 0 CBADMP CC(C)N1CC[C@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430629334 420273116 /nfs/dbraw/zinc/27/31/16/420273116.db2.gz PWYKYFVINSOGLA-STQMWFEESA-N 2 1 296.415 -0.217 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655916739 420275811 /nfs/dbraw/zinc/27/58/11/420275811.db2.gz HMLFQJBUNWXJHH-BDAKNGLRSA-N 2 1 298.309 -0.104 20 0 CBADMP C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC[N@@H+]1CCO ZINC000655924901 420278014 /nfs/dbraw/zinc/27/80/14/420278014.db2.gz SLYCPCCEYQJMLT-RKDXNWHRSA-N 2 1 298.309 -0.416 20 0 CBADMP C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC[N@H+]1CCO ZINC000655924901 420278015 /nfs/dbraw/zinc/27/80/15/420278015.db2.gz SLYCPCCEYQJMLT-RKDXNWHRSA-N 2 1 298.309 -0.416 20 0 CBADMP [NH3+]C[C@@H](NC(=O)NCC[N@H+]1CCCOCC1)C(F)(F)F ZINC000655929599 420281458 /nfs/dbraw/zinc/28/14/58/420281458.db2.gz VPJPCMLCDGGCIU-SECBINFHSA-N 2 1 298.309 -0.103 20 0 CBADMP [NH3+]C1CCC(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000655963012 420282574 /nfs/dbraw/zinc/28/25/74/420282574.db2.gz FDDHCZIKBRZWJT-IFWUJCSASA-N 2 1 282.388 -0.283 20 0 CBADMP O=C(NCCC[C@H]1CCC[NH2+]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968919 420285079 /nfs/dbraw/zinc/28/50/79/420285079.db2.gz BBYRCURTRFOPGY-HZSPNIEDSA-N 2 1 296.415 -0.021 20 0 CBADMP C[C@@]1(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCC[NH2+]C1 ZINC000655965448 420285236 /nfs/dbraw/zinc/28/52/36/420285236.db2.gz UQWRZYDITWVMOQ-GZBFAFLISA-N 2 1 296.415 -0.164 20 0 CBADMP O=C(NCC1=CC[NH2+]CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655965940 420285355 /nfs/dbraw/zinc/28/53/55/420285355.db2.gz LAEOWPZCLXJGOQ-QWHCGFSZSA-N 2 1 280.372 -0.634 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967337 420285701 /nfs/dbraw/zinc/28/57/01/420285701.db2.gz SGYHXAQMIGCMCX-GRYCIOLGSA-N 2 1 270.377 -0.555 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000656303610 420306230 /nfs/dbraw/zinc/30/62/30/420306230.db2.gz KYMPLXFFNCQODG-BJHJDKERSA-N 2 1 296.415 -0.347 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000516766130 420362851 /nfs/dbraw/zinc/36/28/51/420362851.db2.gz DBWREUBDAAQTPM-FRRDWIJNSA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000656342841 420308946 /nfs/dbraw/zinc/30/89/46/420308946.db2.gz FULZJGUNMIEDTH-UPJWGTAASA-N 2 1 296.415 -0.347 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2C[C@H]3COC[C@@]3(C)C2)C1=O ZINC000656477939 420311779 /nfs/dbraw/zinc/31/17/79/420311779.db2.gz ODRYBYAFCNFPMM-SLEUVZQESA-N 2 1 295.383 -0.356 20 0 CBADMP C[NH+]1CCN(c2ncc(C[NH2+]C/C=C\CO)cn2)CC1 ZINC000657592847 420357041 /nfs/dbraw/zinc/35/70/41/420357041.db2.gz MUVBMSMBFSGTIA-IHWYPQMZSA-N 2 1 277.372 -0.134 20 0 CBADMP [NH3+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656019611 420292913 /nfs/dbraw/zinc/29/29/13/420292913.db2.gz HNPRKPDFRSZYDA-QWRGUYRKSA-N 2 1 268.361 -0.806 20 0 CBADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000656025347 420295607 /nfs/dbraw/zinc/29/56/07/420295607.db2.gz IBPLRDPNQVVCEY-DTORHVGOSA-N 2 1 292.330 -0.847 20 0 CBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656028505 420295822 /nfs/dbraw/zinc/29/58/22/420295822.db2.gz LXEKPCQESZATBP-UPJWGTAASA-N 2 1 294.399 -0.321 20 0 CBADMP CN1CC[C@H]2C[N@H+]([C@@H]3CC(=O)N(CC[NH+](C)C)C3=O)C[C@H]21 ZINC000448555561 420295972 /nfs/dbraw/zinc/29/59/72/420295972.db2.gz MQHWWQOQPDUFNI-YNEHKIRRSA-N 2 1 294.399 -0.689 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@@H](N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C1=O ZINC000448555561 420295974 /nfs/dbraw/zinc/29/59/74/420295974.db2.gz MQHWWQOQPDUFNI-YNEHKIRRSA-N 2 1 294.399 -0.689 20 0 CBADMP C[NH+](C)CCN1C(=O)C[C@@H](N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C1=O ZINC000448555561 420295977 /nfs/dbraw/zinc/29/59/77/420295977.db2.gz MQHWWQOQPDUFNI-YNEHKIRRSA-N 2 1 294.399 -0.689 20 0 CBADMP CN(C)c1ncc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1C ZINC000656273900 420303552 /nfs/dbraw/zinc/30/35/52/420303552.db2.gz RVBPBWDWDCXYBR-WCQYABFASA-N 2 1 279.388 -0.263 20 0 CBADMP NC(=O)c1c[nH+]ccc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656219016 420304777 /nfs/dbraw/zinc/30/47/77/420304777.db2.gz JPDMGLXYGAJZOA-VHSXEESVSA-N 2 1 262.313 -0.564 20 0 CBADMP NC(=O)c1c[nH+]ccc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656219016 420304782 /nfs/dbraw/zinc/30/47/82/420304782.db2.gz JPDMGLXYGAJZOA-VHSXEESVSA-N 2 1 262.313 -0.564 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000517038636 420370065 /nfs/dbraw/zinc/37/00/65/420370065.db2.gz IPFQNKXNVHABBQ-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CNC(=O)C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000517038636 420370070 /nfs/dbraw/zinc/37/00/70/420370070.db2.gz IPFQNKXNVHABBQ-LBPRGKRZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000517167965 420372363 /nfs/dbraw/zinc/37/23/63/420372363.db2.gz DFGGHYZRNYGUDT-VXGBXAGGSA-N 2 1 283.372 -0.166 20 0 CBADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000517167965 420372365 /nfs/dbraw/zinc/37/23/65/420372365.db2.gz DFGGHYZRNYGUDT-VXGBXAGGSA-N 2 1 283.372 -0.166 20 0 CBADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CC[NH2+]C1CC1 ZINC000519614607 420383914 /nfs/dbraw/zinc/38/39/14/420383914.db2.gz NXAKKKXXVOCNQV-GFCCVEGCSA-N 2 1 268.405 -0.119 20 0 CBADMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000658758529 420386059 /nfs/dbraw/zinc/38/60/59/420386059.db2.gz VPYGBKKHYFVCOT-CYBMUJFWSA-N 2 1 296.415 -0.441 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000519704365 420386175 /nfs/dbraw/zinc/38/61/75/420386175.db2.gz MBSICODRUROTKM-WCQYABFASA-N 2 1 265.361 -0.067 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000519704365 420386177 /nfs/dbraw/zinc/38/61/77/420386177.db2.gz MBSICODRUROTKM-WCQYABFASA-N 2 1 265.361 -0.067 20 0 CBADMP CCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000658829921 420389929 /nfs/dbraw/zinc/38/99/29/420389929.db2.gz OMEBDTDVBWXHKS-CYBMUJFWSA-N 2 1 298.431 -0.051 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCO)O1 ZINC000527554470 420396671 /nfs/dbraw/zinc/39/66/71/420396671.db2.gz VRWZJUSPJFPAGM-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCO)O1 ZINC000527554470 420396676 /nfs/dbraw/zinc/39/66/76/420396676.db2.gz VRWZJUSPJFPAGM-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCO)O1 ZINC000527554470 420396678 /nfs/dbraw/zinc/39/66/78/420396678.db2.gz VRWZJUSPJFPAGM-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCCO)O1 ZINC000527554470 420396682 /nfs/dbraw/zinc/39/66/82/420396682.db2.gz VRWZJUSPJFPAGM-MGPQQGTHSA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)[NH+](C)C ZINC000674263181 544900554 /nfs/dbraw/zinc/90/05/54/544900554.db2.gz BFQWHVBJIMVIBT-WCQYABFASA-N 2 1 296.415 -0.123 20 0 CBADMP CCC[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000516927840 420364920 /nfs/dbraw/zinc/36/49/20/420364920.db2.gz JNWHXJMKGUGTAW-CYBMUJFWSA-N 2 1 289.445 -0.209 20 0 CBADMP CCC[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000516927840 420364924 /nfs/dbraw/zinc/36/49/24/420364924.db2.gz JNWHXJMKGUGTAW-CYBMUJFWSA-N 2 1 289.445 -0.209 20 0 CBADMP C[C@H](C(=O)N1CC[NH2+][C@H](C)C1)N1CC[NH+](C)CC1 ZINC000516868048 420365631 /nfs/dbraw/zinc/36/56/31/420365631.db2.gz NXUHDNRMIKZZGZ-VXGBXAGGSA-N 2 1 254.378 -0.557 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000673667518 544882977 /nfs/dbraw/zinc/88/29/77/544882977.db2.gz ZWGLKPSKXRDRNP-STQMWFEESA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000673667518 544882982 /nfs/dbraw/zinc/88/29/82/544882982.db2.gz ZWGLKPSKXRDRNP-STQMWFEESA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000673667518 544882985 /nfs/dbraw/zinc/88/29/85/544882985.db2.gz ZWGLKPSKXRDRNP-STQMWFEESA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000673667518 544882990 /nfs/dbraw/zinc/88/29/90/544882990.db2.gz ZWGLKPSKXRDRNP-STQMWFEESA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)CN1CC[NH+](C)CC1)CC2 ZINC000673686809 544885401 /nfs/dbraw/zinc/88/54/01/544885401.db2.gz STAABQCYJOJHSK-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)CN1CC[NH+](C)CC1)CC2 ZINC000673686809 544885406 /nfs/dbraw/zinc/88/54/06/544885406.db2.gz STAABQCYJOJHSK-KGLIPLIRSA-N 2 1 280.416 -0.071 20 0 CBADMP C[C@@H](NC(=O)CN1CC[NH+](C)CC1)[C@H]1CN(C)CCO1 ZINC000676346632 544949169 /nfs/dbraw/zinc/94/91/69/544949169.db2.gz COTQICNFRDWATR-CHWSQXEVSA-N 2 1 284.404 -0.931 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CN2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000674689002 544912012 /nfs/dbraw/zinc/91/20/12/544912012.db2.gz GNYBQBYYEDICQB-CHWSQXEVSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)CN2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000674689002 544912018 /nfs/dbraw/zinc/91/20/18/544912018.db2.gz GNYBQBYYEDICQB-CHWSQXEVSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CN2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000674689003 544912360 /nfs/dbraw/zinc/91/23/60/544912360.db2.gz GNYBQBYYEDICQB-OLZOCXBDSA-N 2 1 280.416 -0.025 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)CN2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000674689003 544912363 /nfs/dbraw/zinc/91/23/63/544912363.db2.gz GNYBQBYYEDICQB-OLZOCXBDSA-N 2 1 280.416 -0.025 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000659453588 420420126 /nfs/dbraw/zinc/42/01/26/420420126.db2.gz OFCLFULUXJPYHK-QWRGUYRKSA-N 2 1 257.382 -0.861 20 0 CBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000659456970 420420204 /nfs/dbraw/zinc/42/02/04/420420204.db2.gz VBJVUWPNXDXZGK-STQMWFEESA-N 2 1 295.431 -0.184 20 0 CBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000659456970 420420208 /nfs/dbraw/zinc/42/02/08/420420208.db2.gz VBJVUWPNXDXZGK-STQMWFEESA-N 2 1 295.431 -0.184 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1([NH3+])CCCC1 ZINC000659453878 420420838 /nfs/dbraw/zinc/42/08/38/420420838.db2.gz UWMXNOGREFFRFU-GFCCVEGCSA-N 2 1 283.420 -0.197 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659457245 420421060 /nfs/dbraw/zinc/42/10/60/420421060.db2.gz BZPQZBNCWFFQPY-LXVYMNJGSA-N 2 1 282.388 -0.160 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659459486 420421515 /nfs/dbraw/zinc/42/15/15/420421515.db2.gz YYFDNOFUJVOZRC-QJPTWQEYSA-N 2 1 288.367 -0.212 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000659471327 420421998 /nfs/dbraw/zinc/42/19/98/420421998.db2.gz SVGJRFGYNJTKLM-GARJFASQSA-N 2 1 258.366 -0.387 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000659471327 420421999 /nfs/dbraw/zinc/42/19/99/420421999.db2.gz SVGJRFGYNJTKLM-GARJFASQSA-N 2 1 258.366 -0.387 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659457278 420422103 /nfs/dbraw/zinc/42/21/03/420422103.db2.gz DIFHUUUXULWPSA-MBHSVXNSSA-N 2 1 282.388 -0.242 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCC2([NH3+])CCCC2)C1 ZINC000659573403 420434355 /nfs/dbraw/zinc/43/43/55/420434355.db2.gz NGTZVNURUANBKC-CYBMUJFWSA-N 2 1 270.377 -0.376 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC000681123330 545044334 /nfs/dbraw/zinc/04/43/34/545044334.db2.gz GHYMIUKTAXLFJR-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000681123330 545044336 /nfs/dbraw/zinc/04/43/36/545044336.db2.gz GHYMIUKTAXLFJR-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP CC[NH+](CCO)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000681123330 545044337 /nfs/dbraw/zinc/04/43/37/545044337.db2.gz GHYMIUKTAXLFJR-GFCCVEGCSA-N 2 1 257.378 -0.099 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000356903326 230240648 /nfs/dbraw/zinc/24/06/48/230240648.db2.gz MWLQHPMIILNMEF-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000356903326 230240651 /nfs/dbraw/zinc/24/06/51/230240651.db2.gz MWLQHPMIILNMEF-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000356903326 230240656 /nfs/dbraw/zinc/24/06/56/230240656.db2.gz MWLQHPMIILNMEF-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000356903326 230240660 /nfs/dbraw/zinc/24/06/60/230240660.db2.gz MWLQHPMIILNMEF-AGIUHOORSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000356903328 230241026 /nfs/dbraw/zinc/24/10/26/230241026.db2.gz MWLQHPMIILNMEF-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000356903328 230241027 /nfs/dbraw/zinc/24/10/27/230241027.db2.gz MWLQHPMIILNMEF-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000356903328 230241032 /nfs/dbraw/zinc/24/10/32/230241032.db2.gz MWLQHPMIILNMEF-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000356903328 230241036 /nfs/dbraw/zinc/24/10/36/230241036.db2.gz MWLQHPMIILNMEF-AVGNSLFASA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000377569019 230294369 /nfs/dbraw/zinc/29/43/69/230294369.db2.gz VAWLHEDAGWGIEF-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000680834144 545041262 /nfs/dbraw/zinc/04/12/62/545041262.db2.gz BJKJNZPJAMNHAZ-ZFWWWQNUSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000680834144 545041263 /nfs/dbraw/zinc/04/12/63/545041263.db2.gz BJKJNZPJAMNHAZ-ZFWWWQNUSA-N 2 1 296.415 -0.164 20 0 CBADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000680834144 545041264 /nfs/dbraw/zinc/04/12/64/545041264.db2.gz BJKJNZPJAMNHAZ-ZFWWWQNUSA-N 2 1 296.415 -0.164 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659750076 420467415 /nfs/dbraw/zinc/46/74/15/420467415.db2.gz MKLRGLRVHNAHRO-MNOVXSKESA-N 2 1 270.377 -0.689 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659750056 420467485 /nfs/dbraw/zinc/46/74/85/420467485.db2.gz DFWBZTDBDDTENB-MNOVXSKESA-N 2 1 284.404 -0.301 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000659752639 420468289 /nfs/dbraw/zinc/46/82/89/420468289.db2.gz KVKFOPUXLQRXRC-WDEREUQCSA-N 2 1 270.377 -0.737 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000659755219 420469090 /nfs/dbraw/zinc/46/90/90/420469090.db2.gz JLJWJVWYAVGLAZ-AGIUHOORSA-N 2 1 298.431 -0.053 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000659757146 420469161 /nfs/dbraw/zinc/46/91/61/420469161.db2.gz VPQPOTNXTZZUCY-VXGBXAGGSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000659757146 420469164 /nfs/dbraw/zinc/46/91/64/420469164.db2.gz VPQPOTNXTZZUCY-VXGBXAGGSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000659757508 420469185 /nfs/dbraw/zinc/46/91/85/420469185.db2.gz YXAOWHIHNYFUBQ-RYUDHWBXSA-N 2 1 284.404 -0.348 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000659755709 420469233 /nfs/dbraw/zinc/46/92/33/420469233.db2.gz ZFNRNOQVQUBCHT-PWSUYJOCSA-N 2 1 282.388 -0.594 20 0 CBADMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)NCC12CC(C1)C[NH2+]2 ZINC000659613844 420437559 /nfs/dbraw/zinc/43/75/59/420437559.db2.gz MYCWJXUAGBQFSN-JVWICGRDSA-N 2 1 296.415 -0.116 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659615262 420438245 /nfs/dbraw/zinc/43/82/45/420438245.db2.gz XPDLTFPVUDLDKA-DCBWTQNWSA-N 2 1 282.388 -0.554 20 0 CBADMP Nc1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)ccn1 ZINC000580952278 420470608 /nfs/dbraw/zinc/47/06/08/420470608.db2.gz UFFCULAKRQLHBM-CYBMUJFWSA-N 2 1 261.373 0.143 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000681788670 545051165 /nfs/dbraw/zinc/05/11/65/545051165.db2.gz JDKWYWMEVVRIGR-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000681788670 545051166 /nfs/dbraw/zinc/05/11/66/545051166.db2.gz JDKWYWMEVVRIGR-UTUOFQBUSA-N 2 1 255.362 -0.084 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000659636370 420441987 /nfs/dbraw/zinc/44/19/87/420441987.db2.gz KTASKMFITLHSGN-ZDUSSCGKSA-N 2 1 285.436 -0.127 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000659643274 420443121 /nfs/dbraw/zinc/44/31/21/420443121.db2.gz PTUQGCNHGKIWGR-VXGBXAGGSA-N 2 1 272.393 -0.260 20 0 CBADMP Cc1cc(NC(=O)CC[NH2+]C[C@@H](O)C[NH+](C)C)no1 ZINC000567111099 420446295 /nfs/dbraw/zinc/44/62/95/420446295.db2.gz IFLZJONEFPNCOI-SNVBAGLBSA-N 2 1 270.333 -0.176 20 0 CBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000659687363 420449095 /nfs/dbraw/zinc/44/90/95/420449095.db2.gz URLMMSBVRDDVNL-JTQLQIEISA-N 2 1 282.388 -0.465 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000659688630 420449626 /nfs/dbraw/zinc/44/96/26/420449626.db2.gz DGEOFQLZJBFXAW-QWHCGFSZSA-N 2 1 298.431 -0.053 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659691870 420449813 /nfs/dbraw/zinc/44/98/13/420449813.db2.gz NCLJVIYXNXMQHD-UHFFFAOYSA-N 2 1 291.355 -0.824 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000659701819 420451618 /nfs/dbraw/zinc/45/16/18/420451618.db2.gz JUPGWOXHVVEIAE-MNOVXSKESA-N 2 1 282.388 -0.523 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659699104 420452004 /nfs/dbraw/zinc/45/20/04/420452004.db2.gz LKINTTKASRLYFV-GHMZBOCLSA-N 2 1 272.393 -0.443 20 0 CBADMP C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[N@@H+](C)C1CC1 ZINC000659701902 420452871 /nfs/dbraw/zinc/45/28/71/420452871.db2.gz JNNDGUNJMLHPLN-SNVBAGLBSA-N 2 1 284.404 -0.219 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659709577 420453919 /nfs/dbraw/zinc/45/39/19/420453919.db2.gz JEWTXDXCOPENKQ-LBPRGKRZSA-N 2 1 282.388 -0.545 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659709383 420454040 /nfs/dbraw/zinc/45/40/40/420454040.db2.gz IBNURPJTIHMWEP-GFCCVEGCSA-N 2 1 296.415 -0.156 20 0 CBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659711602 420454782 /nfs/dbraw/zinc/45/47/82/420454782.db2.gz BCESOCBWTNXUBY-LBPRGKRZSA-N 2 1 296.415 -0.156 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000659711902 420454940 /nfs/dbraw/zinc/45/49/40/420454940.db2.gz FGDYSMDRCOCQQS-CHWSQXEVSA-N 2 1 296.415 -0.297 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659718212 420457718 /nfs/dbraw/zinc/45/77/18/420457718.db2.gz MRXPAXKYQXUZLG-GHMZBOCLSA-N 2 1 284.404 -0.314 20 0 CBADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659718313 420458125 /nfs/dbraw/zinc/45/81/25/420458125.db2.gz OXYUBMGHTAHWCQ-ZJUUUORDSA-N 2 1 270.377 -0.561 20 0 CBADMP COc1c(N)ncnc1NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000573458968 420458686 /nfs/dbraw/zinc/45/86/86/420458686.db2.gz LPMBXGWFRBOPMY-UHFFFAOYSA-N 2 1 294.403 0.505 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000659720867 420459499 /nfs/dbraw/zinc/45/94/99/420459499.db2.gz FXPGMIXGGGQZCY-AGIUHOORSA-N 2 1 296.415 -0.299 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000659726284 420459831 /nfs/dbraw/zinc/45/98/31/420459831.db2.gz IXKCTUYCXQEEAO-AVGNSLFASA-N 2 1 294.399 -0.402 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000659723927 420460357 /nfs/dbraw/zinc/46/03/57/420460357.db2.gz RYJJNEKITQTKAH-ZDUSSCGKSA-N 2 1 294.399 -0.377 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH2+]CC)C1 ZINC000659723084 420460380 /nfs/dbraw/zinc/46/03/80/420460380.db2.gz HUAMHDSOOJWUJY-VXGBXAGGSA-N 2 1 284.404 -0.299 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000659725125 420460420 /nfs/dbraw/zinc/46/04/20/420460420.db2.gz XPOHWLLFPWQZCK-AGIUHOORSA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH2+]CC)C1 ZINC000659723083 420460525 /nfs/dbraw/zinc/46/05/25/420460525.db2.gz HUAMHDSOOJWUJY-NEPJUHHUSA-N 2 1 284.404 -0.299 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000659729690 420461092 /nfs/dbraw/zinc/46/10/92/420461092.db2.gz TUMCILMMKIHNCS-SRVKXCTJSA-N 2 1 284.404 -0.171 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)C1 ZINC000659738289 420463028 /nfs/dbraw/zinc/46/30/28/420463028.db2.gz DHIJTGZELJVVQH-UPJWGTAASA-N 2 1 296.415 -0.217 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)C1 ZINC000659738158 420463297 /nfs/dbraw/zinc/46/32/97/420463297.db2.gz AUBZCPZFUVHQLZ-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659738484 420463723 /nfs/dbraw/zinc/46/37/23/420463723.db2.gz FDIRRPZRYOLOOH-MQYJIDSJSA-N 2 1 294.399 -0.463 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000659739444 420464191 /nfs/dbraw/zinc/46/41/91/420464191.db2.gz UPCPJRGQBOOJGR-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC000659739252 420464610 /nfs/dbraw/zinc/46/46/10/420464610.db2.gz PEASEHIVTXDEFC-AVGNSLFASA-N 2 1 296.415 -0.204 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000659739434 420464991 /nfs/dbraw/zinc/46/49/91/420464991.db2.gz UJQAZWWGEJQLAY-VXGBXAGGSA-N 2 1 282.388 -0.593 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CCC[NH2+]C)C1 ZINC000659739426 420465077 /nfs/dbraw/zinc/46/50/77/420465077.db2.gz UGTZTAZOBCAMRT-LBPRGKRZSA-N 2 1 284.404 -0.345 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000659749753 420467131 /nfs/dbraw/zinc/46/71/31/420467131.db2.gz JFIDRVVHCPZPNH-RYUDHWBXSA-N 2 1 284.404 -0.491 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000659749753 420467133 /nfs/dbraw/zinc/46/71/33/420467133.db2.gz JFIDRVVHCPZPNH-RYUDHWBXSA-N 2 1 284.404 -0.491 20 0 CBADMP CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@@]1(CO)CCOC1 ZINC000660240026 420487246 /nfs/dbraw/zinc/48/72/46/420487246.db2.gz UTLFRCIGWBALMV-QWHCGFSZSA-N 2 1 260.378 -0.229 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCOCC[NH+](C)C ZINC000394135411 260112537 /nfs/dbraw/zinc/11/25/37/260112537.db2.gz FCDXZCYKGXEDAW-MNOVXSKESA-N 2 1 259.350 -0.942 20 0 CBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(C(C)=O)cc1 ZINC000518375299 260389910 /nfs/dbraw/zinc/38/99/10/260389910.db2.gz PLEFXBKMYVFAOF-KGLIPLIRSA-N 2 1 296.367 -0.201 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000518945855 265238449 /nfs/dbraw/zinc/23/84/49/265238449.db2.gz AFIQHNJUSAWTAJ-LLVKDONJSA-N 2 1 282.388 -0.832 20 0 CBADMP C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000518980848 265273637 /nfs/dbraw/zinc/27/36/37/265273637.db2.gz QAAXPXVXGCHMHI-NEPJUHHUSA-N 2 1 277.434 -0.355 20 0 CBADMP C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000518980848 265273639 /nfs/dbraw/zinc/27/36/39/265273639.db2.gz QAAXPXVXGCHMHI-NEPJUHHUSA-N 2 1 277.434 -0.355 20 0 CBADMP C[C@H]([C@H](C)[N@H+](C)CCN1CC[NH2+]CC1)S(C)(=O)=O ZINC000518980849 265273664 /nfs/dbraw/zinc/27/36/64/265273664.db2.gz QAAXPXVXGCHMHI-NWDGAFQWSA-N 2 1 277.434 -0.355 20 0 CBADMP C[C@H]([C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1)S(C)(=O)=O ZINC000518980849 265273667 /nfs/dbraw/zinc/27/36/67/265273667.db2.gz QAAXPXVXGCHMHI-NWDGAFQWSA-N 2 1 277.434 -0.355 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529354802 269632275 /nfs/dbraw/zinc/63/22/75/269632275.db2.gz VMNWADKZRNYOSA-STQMWFEESA-N 2 1 296.415 -0.021 20 0 CBADMP CCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)NC ZINC000053298869 276252061 /nfs/dbraw/zinc/25/20/61/276252061.db2.gz HGGYBQGJZZHQFY-UHFFFAOYSA-N 2 1 270.377 -0.734 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419585815 276362575 /nfs/dbraw/zinc/36/25/75/276362575.db2.gz MKVDUSPFWOVKKS-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419585812 276362834 /nfs/dbraw/zinc/36/28/34/276362834.db2.gz MKVDUSPFWOVKKS-CHWSQXEVSA-N 2 1 296.415 -0.216 20 0 CBADMP CN(CC[NH2+]C(C)(C)C)C[C@H](O)C[NH+]1CCOCC1 ZINC000414699197 276843627 /nfs/dbraw/zinc/84/36/27/276843627.db2.gz JNQBEZZDBZMICP-ZDUSSCGKSA-N 2 1 273.421 -0.001 20 0 CBADMP C[N@@H+](C[C@@H](O)CN1CC[NH+](C(C)(C)CO)CC1)C1CC1 ZINC000685568227 545081915 /nfs/dbraw/zinc/08/19/15/545081915.db2.gz HGTBIIHHFDNROV-CQSZACIVSA-N 2 1 285.432 -0.170 20 0 CBADMP Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000685734411 545082306 /nfs/dbraw/zinc/08/23/06/545082306.db2.gz STYQAHDETLKOJI-LLVKDONJSA-N 2 1 292.387 -0.287 20 0 CBADMP Cn1cnc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000685734411 545082308 /nfs/dbraw/zinc/08/23/08/545082308.db2.gz STYQAHDETLKOJI-LLVKDONJSA-N 2 1 292.387 -0.287 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000515659026 277029676 /nfs/dbraw/zinc/02/96/76/277029676.db2.gz ANWUAZPBJGUNHI-DGCLKSJQSA-N 2 1 257.378 -0.066 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)CC1 ZINC000338303826 277089225 /nfs/dbraw/zinc/08/92/25/277089225.db2.gz OBGKUHHFZZMJLL-QWHCGFSZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422714154 277089257 /nfs/dbraw/zinc/08/92/57/277089257.db2.gz KSJCYBFJVSZBKM-QWHCGFSZSA-N 3 1 268.405 -0.133 20 0 CBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000423415422 277156549 /nfs/dbraw/zinc/15/65/49/277156549.db2.gz AMVFXYNIZOZUBB-CHWSQXEVSA-N 2 1 294.399 -0.639 20 0 CBADMP C[NH+]1CC[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC000375018751 277175086 /nfs/dbraw/zinc/17/50/86/277175086.db2.gz JYHCRYYAKFTAJK-AVGNSLFASA-N 2 1 267.373 -0.130 20 0 CBADMP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC000375018751 277175082 /nfs/dbraw/zinc/17/50/82/277175082.db2.gz JYHCRYYAKFTAJK-AVGNSLFASA-N 2 1 267.373 -0.130 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC000375018751 277175084 /nfs/dbraw/zinc/17/50/84/277175084.db2.gz JYHCRYYAKFTAJK-AVGNSLFASA-N 2 1 267.373 -0.130 20 0 CBADMP C[NH+]1CC[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC000375018751 277175088 /nfs/dbraw/zinc/17/50/88/277175088.db2.gz JYHCRYYAKFTAJK-AVGNSLFASA-N 2 1 267.373 -0.130 20 0 CBADMP COC1(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC[NH2+]CC1 ZINC000246515582 277179570 /nfs/dbraw/zinc/17/95/70/277179570.db2.gz QVCVCKYUMKEMMM-OLZOCXBDSA-N 2 1 299.415 -0.332 20 0 CBADMP COC1(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC[NH2+]CC1 ZINC000246515582 277179572 /nfs/dbraw/zinc/17/95/72/277179572.db2.gz QVCVCKYUMKEMMM-OLZOCXBDSA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000419034442 277267955 /nfs/dbraw/zinc/26/79/55/277267955.db2.gz ZNRKALYWULQLBQ-OLZOCXBDSA-N 2 1 298.431 -0.051 20 0 CBADMP CC(C)(C[NH3+])C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430894293 277297929 /nfs/dbraw/zinc/29/79/29/277297929.db2.gz MFEIMZQXOBBKLA-LLVKDONJSA-N 2 1 284.404 -0.325 20 0 CBADMP COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000370205071 277321940 /nfs/dbraw/zinc/32/19/40/277321940.db2.gz WXNRXCCHTGEPLX-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000370205071 277321942 /nfs/dbraw/zinc/32/19/42/277321942.db2.gz WXNRXCCHTGEPLX-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000370205071 277321943 /nfs/dbraw/zinc/32/19/43/277321943.db2.gz WXNRXCCHTGEPLX-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)CNC(=O)CC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000370205071 277321944 /nfs/dbraw/zinc/32/19/44/277321944.db2.gz WXNRXCCHTGEPLX-RYUDHWBXSA-N 2 1 283.372 -0.308 20 0 CBADMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353760695 277393780 /nfs/dbraw/zinc/39/37/80/277393780.db2.gz RPZOEQLOVBCKHC-GHMZBOCLSA-N 2 1 270.377 -0.574 20 0 CBADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353760695 277393781 /nfs/dbraw/zinc/39/37/81/277393781.db2.gz RPZOEQLOVBCKHC-GHMZBOCLSA-N 2 1 270.377 -0.574 20 0 CBADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000037626669 277479081 /nfs/dbraw/zinc/47/90/81/277479081.db2.gz YMSHIURYPLJNBW-ZJUUUORDSA-N 2 1 258.366 -0.718 20 0 CBADMP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420302080 278183301 /nfs/dbraw/zinc/18/33/01/278183301.db2.gz WEZVVOZKVGIUFR-STQMWFEESA-N 2 1 296.415 -0.393 20 0 CBADMP C[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)[N@@H+]1CCCC[C@H]1C ZINC000438884242 278204612 /nfs/dbraw/zinc/20/46/12/278204612.db2.gz RHMPKDJMXUJTBW-MXWKQRLJSA-N 2 1 270.377 -0.432 20 0 CBADMP C[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)[N@H+]1CCCC[C@H]1C ZINC000438884242 278204613 /nfs/dbraw/zinc/20/46/13/278204613.db2.gz RHMPKDJMXUJTBW-MXWKQRLJSA-N 2 1 270.377 -0.432 20 0 CBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000163222538 278231934 /nfs/dbraw/zinc/23/19/34/278231934.db2.gz SIQMEFKBZGEPHS-UWVGGRQHSA-N 2 1 268.361 -0.014 20 0 CBADMP C[C@@H](C[NH3+])CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000418495366 278244486 /nfs/dbraw/zinc/24/44/86/278244486.db2.gz UMKFIMOUBAPHFY-NWDGAFQWSA-N 2 1 272.393 -0.273 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[N@@H+](C)C1CC1 ZINC000419575164 278268170 /nfs/dbraw/zinc/26/81/70/278268170.db2.gz ACGWSESQDLQRFI-NSHDSACASA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000457087964 288083876 /nfs/dbraw/zinc/08/38/76/288083876.db2.gz BLTQTBHOIQBIOD-UPJWGTAASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000457087964 288083877 /nfs/dbraw/zinc/08/38/77/288083877.db2.gz BLTQTBHOIQBIOD-UPJWGTAASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457087964 288083878 /nfs/dbraw/zinc/08/38/78/288083878.db2.gz BLTQTBHOIQBIOD-UPJWGTAASA-N 2 1 269.389 -0.291 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457087964 288083879 /nfs/dbraw/zinc/08/38/79/288083879.db2.gz BLTQTBHOIQBIOD-UPJWGTAASA-N 2 1 269.389 -0.291 20 0 CBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351533809 279034451 /nfs/dbraw/zinc/03/44/51/279034451.db2.gz IZLNIPIQYBTBHM-STQMWFEESA-N 2 1 296.415 -0.345 20 0 CBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357916933 279173252 /nfs/dbraw/zinc/17/32/52/279173252.db2.gz IGHLPHANNUMEDP-USWWRNFRSA-N 2 1 266.345 -0.333 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)C1CC1 ZINC000419521290 279190678 /nfs/dbraw/zinc/19/06/78/279190678.db2.gz JYGLLEOQUMQORS-VXGBXAGGSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419595431 279268732 /nfs/dbraw/zinc/26/87/32/279268732.db2.gz WUIVINNZZOENTC-GHMZBOCLSA-N 2 1 270.377 -0.560 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH2+]C ZINC000419590379 279279250 /nfs/dbraw/zinc/27/92/50/279279250.db2.gz QGCMSSSCNQFFAK-NSHDSACASA-N 2 1 270.377 -0.687 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000331698057 279296422 /nfs/dbraw/zinc/29/64/22/279296422.db2.gz VDSIGEZSXFKIDL-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419863002 279306945 /nfs/dbraw/zinc/30/69/45/279306945.db2.gz DKQFJGKVXBEIEF-YNEHKIRRSA-N 2 1 296.415 -0.027 20 0 CBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CC[NH3+])CC1=O ZINC000423998201 279330369 /nfs/dbraw/zinc/33/03/69/279330369.db2.gz AFJYDZJADKRKKN-OLZOCXBDSA-N 2 1 296.415 -0.264 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H]1C[NH2+]CCN1C ZINC000423500851 288123826 /nfs/dbraw/zinc/12/38/26/288123826.db2.gz DBCVWDJQUYZWJU-BNOWGMLFSA-N 2 1 252.406 -0.038 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419334316 288126097 /nfs/dbraw/zinc/12/60/97/288126097.db2.gz MZEHJUAWHNLHDE-MWLCHTKSSA-N 2 1 282.388 -0.561 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000246335294 279385203 /nfs/dbraw/zinc/38/52/03/279385203.db2.gz UXECPEQMTOWLEO-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000246335294 279385206 /nfs/dbraw/zinc/38/52/06/279385206.db2.gz UXECPEQMTOWLEO-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000413826968 279385442 /nfs/dbraw/zinc/38/54/42/279385442.db2.gz ZYCDTARCPVLKRG-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000413826968 279385443 /nfs/dbraw/zinc/38/54/43/279385443.db2.gz ZYCDTARCPVLKRG-ZIAGYGMSSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000353380803 279389209 /nfs/dbraw/zinc/38/92/09/279389209.db2.gz DHCVDXNCJODITB-XQQFMLRXSA-N 2 1 267.373 -0.225 20 0 CBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000353380803 279389210 /nfs/dbraw/zinc/38/92/10/279389210.db2.gz DHCVDXNCJODITB-XQQFMLRXSA-N 2 1 267.373 -0.225 20 0 CBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH3+] ZINC000418346896 288145447 /nfs/dbraw/zinc/14/54/47/288145447.db2.gz IELDPYNQPYAAOT-LLVKDONJSA-N 2 1 272.393 -0.178 20 0 CBADMP CC[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+](C)C ZINC000338970810 280076241 /nfs/dbraw/zinc/07/62/41/280076241.db2.gz YOGNIQOAVAEKLO-NWDGAFQWSA-N 2 1 284.404 -0.217 20 0 CBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245947522 280090799 /nfs/dbraw/zinc/09/07/99/280090799.db2.gz XHEPWOJSWKLJRB-OLZOCXBDSA-N 2 1 268.405 -0.038 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000361738930 280104455 /nfs/dbraw/zinc/10/44/55/280104455.db2.gz GOKZKASTGZJEEH-XUXIUFHCSA-N 2 1 279.384 -0.083 20 0 CBADMP O=C([C@@H]1COCC[NH2+]1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000361738930 280104459 /nfs/dbraw/zinc/10/44/59/280104459.db2.gz GOKZKASTGZJEEH-XUXIUFHCSA-N 2 1 279.384 -0.083 20 0 CBADMP C[C@H]1[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CCC[N@H+]1C ZINC000419562609 280116574 /nfs/dbraw/zinc/11/65/74/280116574.db2.gz VIRYKIAQZHASQR-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000418739583 280165539 /nfs/dbraw/zinc/16/55/39/280165539.db2.gz YVKHRASHYCCQIO-VXGBXAGGSA-N 2 1 272.393 -0.130 20 0 CBADMP O=C1CCC(=O)N1CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261577487 280249451 /nfs/dbraw/zinc/24/94/51/280249451.db2.gz OKNNVHMVYKUGNB-CYBMUJFWSA-N 2 1 251.330 -0.179 20 0 CBADMP O=C1CCC(=O)N1CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261577487 280249454 /nfs/dbraw/zinc/24/94/54/280249454.db2.gz OKNNVHMVYKUGNB-CYBMUJFWSA-N 2 1 251.330 -0.179 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000168005841 280371802 /nfs/dbraw/zinc/37/18/02/280371802.db2.gz QFTFEDSODFZKAO-NDBYEHHHSA-N 2 1 285.388 -0.987 20 0 CBADMP CC[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000168005841 280371803 /nfs/dbraw/zinc/37/18/03/280371803.db2.gz QFTFEDSODFZKAO-NDBYEHHHSA-N 2 1 285.388 -0.987 20 0 CBADMP CC[C@H]1CN(C(=O)[C@@H](C[NH3+])OC)CC[N@@H+]1CCOC ZINC000353425362 288264585 /nfs/dbraw/zinc/26/45/85/288264585.db2.gz HILFNBOSESDWAL-NWDGAFQWSA-N 2 1 273.377 -0.471 20 0 CBADMP CC[C@H]1CN(C(=O)[C@@H](C[NH3+])OC)CC[N@H+]1CCOC ZINC000353425362 288264587 /nfs/dbraw/zinc/26/45/87/288264587.db2.gz HILFNBOSESDWAL-NWDGAFQWSA-N 2 1 273.377 -0.471 20 0 CBADMP CC[C@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000373112579 280987306 /nfs/dbraw/zinc/98/73/06/280987306.db2.gz MJKQWEZXEQNDQQ-ZDUSSCGKSA-N 2 1 272.389 -0.084 20 0 CBADMP CC[C@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000104131900 281032454 /nfs/dbraw/zinc/03/24/54/281032454.db2.gz BHGMBIBLEVGMEY-NSHDSACASA-N 2 1 268.361 -0.981 20 0 CBADMP CC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000104131900 281032456 /nfs/dbraw/zinc/03/24/56/281032456.db2.gz BHGMBIBLEVGMEY-NSHDSACASA-N 2 1 268.361 -0.981 20 0 CBADMP C[NH+](C)CC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000363685208 282055185 /nfs/dbraw/zinc/05/51/85/282055185.db2.gz GBFWYTHDZGGJCN-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP C[NH+](C)CC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000363685208 282055192 /nfs/dbraw/zinc/05/51/92/282055192.db2.gz GBFWYTHDZGGJCN-UHFFFAOYSA-N 2 1 257.378 -0.147 20 0 CBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000353392699 288879947 /nfs/dbraw/zinc/87/99/47/288879947.db2.gz XWNOZMAPBLJHNK-USZNOCQGSA-N 2 1 253.346 -0.569 20 0 CBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000430803342 288945951 /nfs/dbraw/zinc/94/59/51/288945951.db2.gz SOVQWWRVMLPFPT-UHFFFAOYSA-N 2 1 270.377 -0.652 20 0 CBADMP C[NH+](C)C/C=C\C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000492069253 289041036 /nfs/dbraw/zinc/04/10/36/289041036.db2.gz RLSSNHDRZAVMCB-WSNITJDQSA-N 2 1 285.388 -0.696 20 0 CBADMP C[C@@H]1[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCC[N@H+]1C ZINC000419542361 289049645 /nfs/dbraw/zinc/04/96/45/289049645.db2.gz FJPSPHNNGNKUFQ-IJLUTSLNSA-N 2 1 282.388 -0.547 20 0 CBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCCC[NH3+] ZINC000418311532 289131413 /nfs/dbraw/zinc/13/14/13/289131413.db2.gz MBXSBVAUDFUIEB-UHFFFAOYSA-N 2 1 273.425 -0.140 20 0 CBADMP CN(CCCN(C)C(=O)NCCC[NH3+])CC[NH+](C)C ZINC000418311532 289131414 /nfs/dbraw/zinc/13/14/14/289131414.db2.gz MBXSBVAUDFUIEB-UHFFFAOYSA-N 2 1 273.425 -0.140 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000344397709 289155345 /nfs/dbraw/zinc/15/53/45/289155345.db2.gz HPOFRVNKGJNPDE-ZDUSSCGKSA-N 2 1 284.404 -0.977 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000344397709 289155348 /nfs/dbraw/zinc/15/53/48/289155348.db2.gz HPOFRVNKGJNPDE-ZDUSSCGKSA-N 2 1 284.404 -0.977 20 0 CBADMP C[NH+](C)C[C@@H]1CN(CC[N@H+]2CCCOCC2)CCO1 ZINC000361291305 289201910 /nfs/dbraw/zinc/20/19/10/289201910.db2.gz WZXGDIGUHMRKAK-CQSZACIVSA-N 2 1 271.405 -0.029 20 0 CBADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000246805954 289213747 /nfs/dbraw/zinc/21/37/47/289213747.db2.gz BZAMHAMCSYIUDT-KGLIPLIRSA-N 2 1 271.405 -0.437 20 0 CBADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000105861990 290085042 /nfs/dbraw/zinc/08/50/42/290085042.db2.gz OGMONRTZDITQTC-QWRGUYRKSA-N 2 1 257.378 -0.115 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000449349090 290105308 /nfs/dbraw/zinc/10/53/08/290105308.db2.gz ONVQJWWUMYFPCP-MROQNXINSA-N 2 1 269.389 -0.245 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000449349090 290105310 /nfs/dbraw/zinc/10/53/10/290105310.db2.gz ONVQJWWUMYFPCP-MROQNXINSA-N 2 1 269.389 -0.245 20 0 CBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000332713209 290240768 /nfs/dbraw/zinc/24/07/68/290240768.db2.gz LRJIQRJIZOYVBP-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP COC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000367534796 293117192 /nfs/dbraw/zinc/11/71/92/293117192.db2.gz YLQAJTDSGRLJJG-QNWHQSFQSA-N 2 1 267.373 -0.097 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000353770931 295056162 /nfs/dbraw/zinc/05/61/62/295056162.db2.gz VOMWEKYQLZZPTP-WCFLWFBJSA-N 2 1 294.399 -0.336 20 0 CBADMP NC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000353770931 295056163 /nfs/dbraw/zinc/05/61/63/295056163.db2.gz VOMWEKYQLZZPTP-WCFLWFBJSA-N 2 1 294.399 -0.336 20 0 CBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000346266750 295110444 /nfs/dbraw/zinc/11/04/44/295110444.db2.gz BAKPLTHJXVAQEP-AVGNSLFASA-N 2 1 296.415 -0.040 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000418527768 295219231 /nfs/dbraw/zinc/21/92/31/295219231.db2.gz UBFPIUDATRRXOF-JTQLQIEISA-N 2 1 294.346 -0.274 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000418527768 295219233 /nfs/dbraw/zinc/21/92/33/295219233.db2.gz UBFPIUDATRRXOF-JTQLQIEISA-N 2 1 294.346 -0.274 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000418525265 295219274 /nfs/dbraw/zinc/21/92/74/295219274.db2.gz OYHNCZKCLFQHHA-JTQLQIEISA-N 2 1 294.346 -0.274 20 0 CBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418525265 295219275 /nfs/dbraw/zinc/21/92/75/295219275.db2.gz OYHNCZKCLFQHHA-JTQLQIEISA-N 2 1 294.346 -0.274 20 0 CBADMP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331682990 295251707 /nfs/dbraw/zinc/25/17/07/295251707.db2.gz UJIWPUCHGMWWNV-YNEHKIRRSA-N 2 1 294.399 -0.321 20 0 CBADMP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000331367809 295264995 /nfs/dbraw/zinc/26/49/95/295264995.db2.gz BQHWIDZUYWIBFL-DGCLKSJQSA-N 2 1 294.399 -0.321 20 0 CBADMP [NH3+][C@@H]1CCC[C@]12CCN(C(=O)[C@H]1COCC[NH2+]1)C2 ZINC000365094873 295317155 /nfs/dbraw/zinc/31/71/55/295317155.db2.gz PIEVYJFJOZRULO-NQBHXWOUSA-N 2 1 253.346 -0.295 20 0 CBADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C(=O)N(C)C ZINC000342077441 299056832 /nfs/dbraw/zinc/05/68/32/299056832.db2.gz BVDVBUICVDTEMN-CYDGBPFRSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C(=O)N(C)C ZINC000342077441 299056834 /nfs/dbraw/zinc/05/68/34/299056834.db2.gz BVDVBUICVDTEMN-CYDGBPFRSA-N 2 1 296.415 -0.362 20 0 CBADMP C[C@H]1CN(C(=O)CCOC2C[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000348987145 300125605 /nfs/dbraw/zinc/12/56/05/300125605.db2.gz DZVUHIHLNWOIAN-JSGCOSHPSA-N 2 1 297.399 -0.456 20 0 CBADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCN1CC[NH2+]CC1 ZINC000333870187 300319029 /nfs/dbraw/zinc/31/90/29/300319029.db2.gz UNIZXWZSXYSMCN-KBPBESRZSA-N 2 1 295.431 -0.230 20 0 CBADMP CCOC(=O)CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000570928697 327635428 /nfs/dbraw/zinc/63/54/28/327635428.db2.gz MRHPEJMQAIFFFV-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)COC2CC[NH2+]CC2)n1C ZINC000563070077 327876595 /nfs/dbraw/zinc/87/65/95/327876595.db2.gz UHBQUYQAALNJTF-UHFFFAOYSA-N 2 1 295.387 -0.129 20 0 CBADMP CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000563457367 328067824 /nfs/dbraw/zinc/06/78/24/328067824.db2.gz KKVZSIOJVHMFHG-ZDUSSCGKSA-N 2 1 283.420 -0.327 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563616676 328077076 /nfs/dbraw/zinc/07/70/76/328077076.db2.gz FLEHTYRFADPGFO-UHFFFAOYSA-N 2 1 298.431 -0.050 20 0 CBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000563618880 328077372 /nfs/dbraw/zinc/07/73/72/328077372.db2.gz QMRYDYIQFDLYIT-LLVKDONJSA-N 2 1 282.388 -0.689 20 0 CBADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)NC1C[NH2+]C1 ZINC000563628565 328078543 /nfs/dbraw/zinc/07/85/43/328078543.db2.gz UADSEJYQDLWNSQ-LBPRGKRZSA-N 2 1 280.372 -0.793 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000563661419 328082146 /nfs/dbraw/zinc/08/21/46/328082146.db2.gz XEJRKNXTWSCXMH-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000563661419 328082148 /nfs/dbraw/zinc/08/21/48/328082148.db2.gz XEJRKNXTWSCXMH-CYBMUJFWSA-N 2 1 298.431 -0.099 20 0 CBADMP CC1(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[NH2+]C1 ZINC000571207195 328091642 /nfs/dbraw/zinc/09/16/42/328091642.db2.gz SXXHNSITICIKFQ-UHFFFAOYSA-N 2 1 280.416 -0.072 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000571283970 328097704 /nfs/dbraw/zinc/09/77/04/328097704.db2.gz JQBTWOURADSYPQ-SDDRHHMPSA-N 2 1 284.404 -0.171 20 0 CBADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CCO1 ZINC000571523315 328131376 /nfs/dbraw/zinc/13/13/76/328131376.db2.gz VBDXWVURXUUGBN-KGLIPLIRSA-N 2 1 297.399 -0.184 20 0 CBADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000571626414 328143058 /nfs/dbraw/zinc/14/30/58/328143058.db2.gz VUCFMVWXHZBAMP-OLZOCXBDSA-N 2 1 281.404 -0.620 20 0 CBADMP C[C@@H]1[C@H](C)OCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000380600199 328300340 /nfs/dbraw/zinc/30/03/40/328300340.db2.gz ZXQWUECQIWZBHI-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CN1CCN(C)[C@H](CNC(=O)CN2CC(C)(C)C2)C1 ZINC000557597267 327014958 /nfs/dbraw/zinc/01/49/58/327014958.db2.gz RGUKMEUGAUTDPI-GFCCVEGCSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000557596135 327015100 /nfs/dbraw/zinc/01/51/00/327015100.db2.gz LBAWXWOOWSNMGX-QWHCGFSZSA-N 2 1 268.405 -0.310 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000557596135 327015102 /nfs/dbraw/zinc/01/51/02/327015102.db2.gz LBAWXWOOWSNMGX-QWHCGFSZSA-N 2 1 268.405 -0.310 20 0 CBADMP C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000569003739 327028712 /nfs/dbraw/zinc/02/87/12/327028712.db2.gz RATVOCOMHRFZIL-QWHCGFSZSA-N 2 1 268.405 -0.167 20 0 CBADMP C[C@@H]1[C@H](C)NCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000565833627 327031156 /nfs/dbraw/zinc/03/11/56/327031156.db2.gz MIEMMYRUVMLBOO-XQQFMLRXSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1[C@H](C)NCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000565833627 327031158 /nfs/dbraw/zinc/03/11/58/327031158.db2.gz MIEMMYRUVMLBOO-XQQFMLRXSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000584113803 327040713 /nfs/dbraw/zinc/04/07/13/327040713.db2.gz JBUOJTRBGIWCLX-ZDEQEGDKSA-N 2 1 296.415 -0.219 20 0 CBADMP COC(=O)CN(C)C(=O)CC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000584113897 327040764 /nfs/dbraw/zinc/04/07/64/327040764.db2.gz OZAQLRHZSFYCHH-ZDUSSCGKSA-N 2 1 271.361 -0.275 20 0 CBADMP CCC[C@@H]1C(=O)NCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000584173337 327057600 /nfs/dbraw/zinc/05/76/00/327057600.db2.gz ULDBRSSDBHVKIY-GFCCVEGCSA-N 2 1 254.378 -0.508 20 0 CBADMP CCC[C@@H]1C(=O)NCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000584173337 327057602 /nfs/dbraw/zinc/05/76/02/327057602.db2.gz ULDBRSSDBHVKIY-GFCCVEGCSA-N 2 1 254.378 -0.508 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000584181223 327061041 /nfs/dbraw/zinc/06/10/41/327061041.db2.gz RYPLNNOLDXLIME-CHWSQXEVSA-N 2 1 287.404 -0.664 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000584181223 327061043 /nfs/dbraw/zinc/06/10/43/327061043.db2.gz RYPLNNOLDXLIME-CHWSQXEVSA-N 2 1 287.404 -0.664 20 0 CBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000584181223 327061045 /nfs/dbraw/zinc/06/10/45/327061045.db2.gz RYPLNNOLDXLIME-CHWSQXEVSA-N 2 1 287.404 -0.664 20 0 CBADMP CC(C)[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC[N@H+]1C ZINC000584221965 327066240 /nfs/dbraw/zinc/06/62/40/327066240.db2.gz MJAVKGAISOAEIJ-KBPBESRZSA-N 2 1 297.447 -0.128 20 0 CBADMP COCC[NH+]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000564644980 327144785 /nfs/dbraw/zinc/14/47/85/327144785.db2.gz RPAZWLJZYXKDFU-ZDUSSCGKSA-N 2 1 284.404 -0.040 20 0 CBADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000559247091 327150255 /nfs/dbraw/zinc/15/02/55/327150255.db2.gz DZTLCQYNWJBKKT-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000559247091 327150256 /nfs/dbraw/zinc/15/02/56/327150256.db2.gz DZTLCQYNWJBKKT-STQMWFEESA-N 2 1 287.404 -0.474 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000584299798 327229779 /nfs/dbraw/zinc/22/97/79/327229779.db2.gz VRMXRGGELIWTAR-YRGRVCCFSA-N 2 1 269.389 -0.054 20 0 CBADMP C[N@@H+](C[C@H](O)CNC[C@H]1CC[C@@H](CO)O1)C1CC1 ZINC000564975083 327301069 /nfs/dbraw/zinc/30/10/69/327301069.db2.gz JGVIWVSYOUVGCQ-UPJWGTAASA-N 2 1 258.362 -0.429 20 0 CBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CC[C@@H](CO)O1)C1CC1 ZINC000564975083 327301070 /nfs/dbraw/zinc/30/10/70/327301070.db2.gz JGVIWVSYOUVGCQ-UPJWGTAASA-N 2 1 258.362 -0.429 20 0 CBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CC[C@@H](CO)O1)C1CC1 ZINC000564975083 327301071 /nfs/dbraw/zinc/30/10/71/327301071.db2.gz JGVIWVSYOUVGCQ-UPJWGTAASA-N 2 1 258.362 -0.429 20 0 CBADMP C[N@H+]1CCC[C@H](CCNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000583371391 327329436 /nfs/dbraw/zinc/32/94/36/327329436.db2.gz FFMYNEWWWVFIDM-CQSZACIVSA-N 2 1 297.447 -0.077 20 0 CBADMP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000560654638 327333866 /nfs/dbraw/zinc/33/38/66/327333866.db2.gz XEYXGWYUFBSKDB-LBPRGKRZSA-N 2 1 296.415 -0.251 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000561183234 327372195 /nfs/dbraw/zinc/37/21/95/327372195.db2.gz VQVQJNQSAZANBB-UHFFFAOYSA-N 2 1 299.419 -0.551 20 0 CBADMP Cn1cncc1CCC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000583449038 327372716 /nfs/dbraw/zinc/37/27/16/327372716.db2.gz ZFBKLAOGKOJKAA-OAHLLOKOSA-N 2 1 296.415 -0.022 20 0 CBADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000583449038 327372717 /nfs/dbraw/zinc/37/27/17/327372717.db2.gz ZFBKLAOGKOJKAA-OAHLLOKOSA-N 2 1 296.415 -0.022 20 0 CBADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000583449038 327372719 /nfs/dbraw/zinc/37/27/19/327372719.db2.gz ZFBKLAOGKOJKAA-OAHLLOKOSA-N 2 1 296.415 -0.022 20 0 CBADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566497209 327399613 /nfs/dbraw/zinc/39/96/13/327399613.db2.gz XZAWKCTVFFXOLV-JHJVBQTASA-N 2 1 294.399 -0.369 20 0 CBADMP C[NH2+][C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)c1cnn(C)c1 ZINC000583692060 328982510 /nfs/dbraw/zinc/98/25/10/328982510.db2.gz CGXLBEPASOFNTJ-GHMZBOCLSA-N 2 1 253.350 -0.220 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)C[N@H+]1C1CC1 ZINC000582476366 329094745 /nfs/dbraw/zinc/09/47/45/329094745.db2.gz UDESODIIRFSHDQ-DYEKYZERSA-N 2 1 295.431 -0.186 20 0 CBADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000582536658 329108476 /nfs/dbraw/zinc/10/84/76/329108476.db2.gz XJOYAQMBUSNEIK-YNEHKIRRSA-N 2 1 294.399 -0.402 20 0 CBADMP C[C@]1(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCC[NH2+]1 ZINC000582849595 329279959 /nfs/dbraw/zinc/27/99/59/329279959.db2.gz SMYOSSNXYPNZMQ-SWLSCSKDSA-N 2 1 296.415 -0.168 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1C ZINC000582964799 329292621 /nfs/dbraw/zinc/29/26/21/329292621.db2.gz INUGLTNPCNFONQ-STQMWFEESA-N 2 1 268.357 -0.095 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000583015072 329302777 /nfs/dbraw/zinc/30/27/77/329302777.db2.gz MSCBDZAFHLFMIY-LLVKDONJSA-N 2 1 282.388 -0.735 20 0 CBADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])C[N@H+]1C1CC1 ZINC000583095547 329315442 /nfs/dbraw/zinc/31/54/42/329315442.db2.gz NCCHQMVRPJEWFV-WDEREUQCSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)[N@@H+](C)C1CC1 ZINC000583132922 329319022 /nfs/dbraw/zinc/31/90/22/329319022.db2.gz KJPUDSQMWAAMSG-WCQYABFASA-N 2 1 283.420 -0.328 20 0 CBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)[C@@H]2C1 ZINC000583194021 329355917 /nfs/dbraw/zinc/35/59/17/329355917.db2.gz PZMZLZFWJPRTES-NWDGAFQWSA-N 2 1 294.399 -0.463 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC2(CO)COC2)CC1 ZINC000162635043 330090299 /nfs/dbraw/zinc/09/02/99/330090299.db2.gz FCPGFHVWBSVATF-CYBMUJFWSA-N 2 1 297.399 -0.766 20 0 CBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000566249524 334638712 /nfs/dbraw/zinc/63/87/12/334638712.db2.gz VKZPVCCKFQXHRY-OLZOCXBDSA-N 2 1 278.356 -0.082 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000575763500 335113433 /nfs/dbraw/zinc/11/34/33/335113433.db2.gz VYUIRUOMNXIYRL-NWDGAFQWSA-N 2 1 270.377 -0.242 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000575814423 335118496 /nfs/dbraw/zinc/11/84/96/335118496.db2.gz MQBCTXPILMPBHS-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000575814423 335118498 /nfs/dbraw/zinc/11/84/98/335118498.db2.gz MQBCTXPILMPBHS-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000575814423 335118500 /nfs/dbraw/zinc/11/85/00/335118500.db2.gz MQBCTXPILMPBHS-AAEUAGOBSA-N 2 1 255.362 -0.489 20 0 CBADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)N(C)CC(=O)OC)C1 ZINC000572523673 333185085 /nfs/dbraw/zinc/18/50/85/333185085.db2.gz JWEFFJUGFUMEHU-NSHDSACASA-N 2 1 271.361 -0.451 20 0 CBADMP C[N@@H+](C[C@H](O)CN[C@@H](CO)C[NH+]1CCCCC1)C1CC1 ZINC000575988186 335138804 /nfs/dbraw/zinc/13/88/04/335138804.db2.gz AIPGDFRWJDEULA-UKRRQHHQSA-N 2 1 285.432 -0.122 20 0 CBADMP Cc1ncc(CNCCS(=O)(=O)N(C)C)n1C ZINC000576053561 335146652 /nfs/dbraw/zinc/14/66/52/335146652.db2.gz UEVNKAPELNFNLJ-UHFFFAOYSA-N 2 1 260.363 -0.290 20 0 CBADMP O=C(CCOC1C[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000564322020 334091223 /nfs/dbraw/zinc/09/12/23/334091223.db2.gz ZFCCOOCHAVXJOO-VIFPVBQESA-N 2 1 263.288 -0.570 20 0 CBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(C(=O)NC)C1 ZINC000564341241 334141501 /nfs/dbraw/zinc/14/15/01/334141501.db2.gz AAYFKRKLEDECJO-WCQYABFASA-N 2 1 257.378 -0.243 20 0 CBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(C(=O)NC)C1 ZINC000564341241 334141502 /nfs/dbraw/zinc/14/15/02/334141502.db2.gz AAYFKRKLEDECJO-WCQYABFASA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000564341241 334141504 /nfs/dbraw/zinc/14/15/04/334141504.db2.gz AAYFKRKLEDECJO-WCQYABFASA-N 2 1 257.378 -0.243 20 0 CBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000564341241 334141505 /nfs/dbraw/zinc/14/15/05/334141505.db2.gz AAYFKRKLEDECJO-WCQYABFASA-N 2 1 257.378 -0.243 20 0 CBADMP C[C@@]1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC[NH2+]1 ZINC000565882161 334605513 /nfs/dbraw/zinc/60/55/13/334605513.db2.gz YWCQJFKJUJCLBN-WFASDCNBSA-N 2 1 294.399 -0.449 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000566513533 334653824 /nfs/dbraw/zinc/65/38/24/334653824.db2.gz XVWNNMGKPPBWKM-LBPRGKRZSA-N 2 1 297.403 -0.800 20 0 CBADMP [NH3+]CCCCn1cc(C(=O)NCC(F)(F)C[NH3+])nn1 ZINC000566738405 334662430 /nfs/dbraw/zinc/66/24/30/334662430.db2.gz UEZSZKSVGBYJHS-UHFFFAOYSA-N 2 1 276.291 -0.659 20 0 CBADMP CCC[NH2+]CCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000568513174 334828171 /nfs/dbraw/zinc/82/81/71/334828171.db2.gz IRDUHKHNUZHXGY-LBPRGKRZSA-N 2 1 256.394 -0.262 20 0 CBADMP NC(=O)NC(=O)CC[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000576399490 335198798 /nfs/dbraw/zinc/19/87/98/335198798.db2.gz MTRXXXQTPUDXOL-NSHDSACASA-N 2 1 286.376 -0.602 20 0 CBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(F)(F)C[NH3+] ZINC000580540852 335204012 /nfs/dbraw/zinc/20/40/12/335204012.db2.gz XIUPDYPBJJNUKB-UHFFFAOYSA-N 3 1 295.378 -0.285 20 0 CBADMP CO[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000576458157 335205910 /nfs/dbraw/zinc/20/59/10/335205910.db2.gz TXHAXXDSMXYSEX-NWDGAFQWSA-N 2 1 264.329 -0.472 20 0 CBADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000576493938 335211385 /nfs/dbraw/zinc/21/13/85/335211385.db2.gz NSJYXIHSGOGBDQ-OLZOCXBDSA-N 2 1 296.415 -0.345 20 0 CBADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000576493936 335211502 /nfs/dbraw/zinc/21/15/02/335211502.db2.gz NSJYXIHSGOGBDQ-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000576574361 335220357 /nfs/dbraw/zinc/22/03/57/335220357.db2.gz CMNPOKWMINEIMY-CABCVRRESA-N 2 1 285.432 -0.047 20 0 CBADMP C[N@@H+](C[C@H](O)CN[C@H]1CCC[NH+](CCCO)C1)C1CC1 ZINC000576583835 335222122 /nfs/dbraw/zinc/22/21/22/335222122.db2.gz FDSLCEYHOFJPKS-DZGCQCFKSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@H](O)CN[C@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000576583835 335222124 /nfs/dbraw/zinc/22/21/24/335222124.db2.gz FDSLCEYHOFJPKS-DZGCQCFKSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@H](O)CN[C@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000576583835 335222126 /nfs/dbraw/zinc/22/21/26/335222126.db2.gz FDSLCEYHOFJPKS-DZGCQCFKSA-N 2 1 285.432 -0.122 20 0 CBADMP C[N@@H+](C[C@H](O)CN[C@@H]1CCC[NH+](CCCO)C1)C1CC1 ZINC000576583838 335222168 /nfs/dbraw/zinc/22/21/68/335222168.db2.gz FDSLCEYHOFJPKS-UKRRQHHQSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@H](O)CN[C@@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000576583838 335222170 /nfs/dbraw/zinc/22/21/70/335222170.db2.gz FDSLCEYHOFJPKS-UKRRQHHQSA-N 2 1 285.432 -0.122 20 0 CBADMP C[NH+](C[C@H](O)CN[C@@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000576583838 335222172 /nfs/dbraw/zinc/22/21/72/335222172.db2.gz FDSLCEYHOFJPKS-UKRRQHHQSA-N 2 1 285.432 -0.122 20 0 CBADMP [NH3+]CCC1CC[NH+](CCC(=O)N2CCNCC2)CC1 ZINC000576881289 335259655 /nfs/dbraw/zinc/25/96/55/335259655.db2.gz YBSVAKHBTKDHPE-UHFFFAOYSA-N 2 1 268.405 -0.131 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000576966297 335271153 /nfs/dbraw/zinc/27/11/53/335271153.db2.gz ZRRGWDHPYZVEPL-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP [NH3+]C1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCC1 ZINC000580549812 335276857 /nfs/dbraw/zinc/27/68/57/335276857.db2.gz LHSFVCYKVWPFLS-LLVKDONJSA-N 2 1 280.372 -0.709 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000580647006 335310857 /nfs/dbraw/zinc/31/08/57/335310857.db2.gz VNIIJTJBJVXYQE-VXGBXAGGSA-N 2 1 282.388 -0.606 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000577395196 335347987 /nfs/dbraw/zinc/34/79/87/335347987.db2.gz HSBDJKUBMXCAGI-CYBMUJFWSA-N 3 1 284.404 -0.895 20 0 CBADMP [NH3+]CCOCC[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000577395196 335347988 /nfs/dbraw/zinc/34/79/88/335347988.db2.gz HSBDJKUBMXCAGI-CYBMUJFWSA-N 2 1 284.404 -0.895 20 0 CBADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000577395196 335347990 /nfs/dbraw/zinc/34/79/90/335347990.db2.gz HSBDJKUBMXCAGI-CYBMUJFWSA-N 2 1 284.404 -0.895 20 0 CBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000577493898 335359047 /nfs/dbraw/zinc/35/90/47/335359047.db2.gz HDLVLJVTDFRXQE-UMSGYPCISA-N 2 1 283.372 -0.705 20 0 CBADMP C[C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000577514532 335363153 /nfs/dbraw/zinc/36/31/53/335363153.db2.gz IEGIACNHCSDYEK-QWHCGFSZSA-N 2 1 268.405 -0.119 20 0 CBADMP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000577608154 335377563 /nfs/dbraw/zinc/37/75/63/335377563.db2.gz VSDAFYFHCKLYEW-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000577608154 335377565 /nfs/dbraw/zinc/37/75/65/335377565.db2.gz VSDAFYFHCKLYEW-LLVKDONJSA-N 2 1 255.362 -0.035 20 0 CBADMP C[N@@H+](CCCNC(=O)C(=O)NC1C[NH2+]C1)C1CCCCC1 ZINC000577714009 335391462 /nfs/dbraw/zinc/39/14/62/335391462.db2.gz VTTGHNSGUQCVAN-UHFFFAOYSA-N 2 1 296.415 -0.155 20 0 CBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000577751529 335397377 /nfs/dbraw/zinc/39/73/77/335397377.db2.gz JIZWKRPQLUUPGZ-TUAOUCFPSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000581061072 336001985 /nfs/dbraw/zinc/00/19/85/336001985.db2.gz FKUMGDXYBANNLH-WYUUTHIRSA-N 2 1 252.362 -0.012 20 0 CBADMP C[C@@H]1CNC[C@H](C)[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000581191309 336022084 /nfs/dbraw/zinc/02/20/84/336022084.db2.gz WAWQGOVTUNRAMW-XQQFMLRXSA-N 2 1 268.405 -0.134 20 0 CBADMP C[C@@H]1CNC[C@H](C)[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000581191309 336022085 /nfs/dbraw/zinc/02/20/85/336022085.db2.gz WAWQGOVTUNRAMW-XQQFMLRXSA-N 2 1 268.405 -0.134 20 0 CBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)COC3C[NH2+]C3)[C@H]2C1 ZINC000581308962 336045007 /nfs/dbraw/zinc/04/50/07/336045007.db2.gz PFTOFZWBSBYIJN-PWSUYJOCSA-N 2 1 253.346 -0.473 20 0 CBADMP CC[NH+]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000381167600 336052848 /nfs/dbraw/zinc/05/28/48/336052848.db2.gz ASSFKCDGFHPQAE-ZDUSSCGKSA-N 2 1 259.394 -0.437 20 0 CBADMP O=C(C[C@H]1CCC[NH2+]1)NCC[N@H+]1CCCOCC1 ZINC000581368450 336062586 /nfs/dbraw/zinc/06/25/86/336062586.db2.gz IOHNJCIZGMTECG-GFCCVEGCSA-N 2 1 255.362 -0.033 20 0 CBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000581500010 336091096 /nfs/dbraw/zinc/09/10/96/336091096.db2.gz AMMKFCZXAFZRON-LBPRGKRZSA-N 2 1 280.372 -0.981 20 0 CBADMP C[NH2+][C@H](C(=O)NC[C@@H]1CCC[NH2+]1)c1cnn(C)c1 ZINC000581666161 336120802 /nfs/dbraw/zinc/12/08/02/336120802.db2.gz DLBKXZHMDISPRQ-QWRGUYRKSA-N 2 1 251.334 -0.451 20 0 CBADMP CC(C)[C@H](CNC(=O)[C@H]1CC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000384754219 336130550 /nfs/dbraw/zinc/13/05/50/336130550.db2.gz QNIZBHXYAJTWLA-OLZOCXBDSA-N 2 1 268.405 -0.264 20 0 CBADMP C[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)N1CC[NH+](C)CC1 ZINC000581825179 336148037 /nfs/dbraw/zinc/14/80/37/336148037.db2.gz FOPZKXYXGPYDEA-ZYHUDNBSSA-N 2 1 254.378 -0.524 20 0 CBADMP CCCCNC(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000581895965 336162381 /nfs/dbraw/zinc/16/23/81/336162381.db2.gz VBKVOPFGUQFZFZ-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP CCCCNC(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000581895965 336162383 /nfs/dbraw/zinc/16/23/83/336162383.db2.gz VBKVOPFGUQFZFZ-NWDGAFQWSA-N 2 1 282.388 -0.463 20 0 CBADMP CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000749114995 582289203 /nfs/dbraw/zinc/28/92/03/582289203.db2.gz FFPXQTXQSBAYBH-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000749114995 582289204 /nfs/dbraw/zinc/28/92/04/582289204.db2.gz FFPXQTXQSBAYBH-NWDGAFQWSA-N 2 1 257.378 -0.243 20 0 CBADMP CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221174863 519740450 /nfs/dbraw/zinc/74/04/50/519740450.db2.gz YAQGEFUHESKOGI-QWHCGFSZSA-N 2 1 298.431 -0.066 20 0 CBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494700818 534453527 /nfs/dbraw/zinc/45/35/27/534453527.db2.gz XLQNEPJAFJRWAF-QWHCGFSZSA-N 2 1 296.415 -0.025 20 0 CBADMP CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221169494 522159508 /nfs/dbraw/zinc/15/95/08/522159508.db2.gz NEHCTNOJJOKYBD-VXGBXAGGSA-N 2 1 284.404 -0.312 20 0 CBADMP C[NH+]1CCC(CCNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000157215883 523760105 /nfs/dbraw/zinc/76/01/05/523760105.db2.gz RCVQJXSOAGMYOW-GFCCVEGCSA-N 2 1 255.362 -0.177 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000354716828 527724413 /nfs/dbraw/zinc/72/44/13/527724413.db2.gz ZRUQNQPUZXRAAH-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000354716828 527724419 /nfs/dbraw/zinc/72/44/19/527724419.db2.gz ZRUQNQPUZXRAAH-CQSZACIVSA-N 2 1 299.415 -0.330 20 0 CBADMP CC[N@H+](CCO)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000376881025 528543531 /nfs/dbraw/zinc/54/35/31/528543531.db2.gz XKPCZLAIGYTEBR-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000376881025 528543537 /nfs/dbraw/zinc/54/35/37/528543537.db2.gz XKPCZLAIGYTEBR-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[NH+](CCO)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000376881025 528543538 /nfs/dbraw/zinc/54/35/38/528543538.db2.gz XKPCZLAIGYTEBR-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[NH+](CCO)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000376881025 528543539 /nfs/dbraw/zinc/54/35/39/528543539.db2.gz XKPCZLAIGYTEBR-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000357234545 535713802 /nfs/dbraw/zinc/71/38/02/535713802.db2.gz AYHOHZSPBSORAF-OLZOCXBDSA-N 2 1 270.421 -0.029 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357080847 536074876 /nfs/dbraw/zinc/07/48/76/536074876.db2.gz VFAHKNKDZQQBEN-NEPJUHHUSA-N 2 1 275.418 -0.191 20 0 CBADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357080847 536074878 /nfs/dbraw/zinc/07/48/78/536074878.db2.gz VFAHKNKDZQQBEN-NEPJUHHUSA-N 2 1 275.418 -0.191 20 0 CBADMP COCCC[N@H+](CCOCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000357028629 536535248 /nfs/dbraw/zinc/53/52/48/536535248.db2.gz MCJPQFBOYPRJAS-GFCCVEGCSA-N 2 1 294.417 -0.513 20 0 CBADMP COCCC[N@@H+](CCOCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000357028629 536535252 /nfs/dbraw/zinc/53/52/52/536535252.db2.gz MCJPQFBOYPRJAS-GFCCVEGCSA-N 2 1 294.417 -0.513 20 0 CBADMP CN1C(=O)C(=O)N(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1=O ZINC000129276671 582122980 /nfs/dbraw/zinc/12/29/80/582122980.db2.gz XRWPHBUPQXACTO-MNOVXSKESA-N 2 1 294.355 -0.219 20 0 CBADMP CCNS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300415414 582130488 /nfs/dbraw/zinc/13/04/88/582130488.db2.gz VMAJYUDLNBBZEL-GHMZBOCLSA-N 2 1 263.407 -0.002 20 0 CBADMP CCNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300415414 582130489 /nfs/dbraw/zinc/13/04/89/582130489.db2.gz VMAJYUDLNBBZEL-GHMZBOCLSA-N 2 1 263.407 -0.002 20 0 CBADMP C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000725890990 582135871 /nfs/dbraw/zinc/13/58/71/582135871.db2.gz MGXGAVLWFTXXRL-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000725890990 582135873 /nfs/dbraw/zinc/13/58/73/582135873.db2.gz MGXGAVLWFTXXRL-GFCCVEGCSA-N 2 1 255.362 -0.081 20 0 CBADMP C[NH+](C)CCN1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000734121790 582167766 /nfs/dbraw/zinc/16/77/66/582167766.db2.gz OYEZRBFOVIMCDZ-UHFFFAOYSA-N 2 1 298.431 -0.586 20 0 CBADMP C[NH+]1CCC(O)(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC000747412434 582286244 /nfs/dbraw/zinc/28/62/44/582286244.db2.gz OEKWGKGKHSHDBP-UHFFFAOYSA-N 2 1 285.388 -0.718 20 0 CBADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC[NH+](C)C)C1 ZINC000748543419 582288258 /nfs/dbraw/zinc/28/82/58/582288258.db2.gz XJGAFXITPPZWOU-LBPRGKRZSA-N 2 1 285.388 -0.061 20 0 CBADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC[NH+](C)C)C1 ZINC000748543419 582288259 /nfs/dbraw/zinc/28/82/59/582288259.db2.gz XJGAFXITPPZWOU-LBPRGKRZSA-N 2 1 285.388 -0.061 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](CO)C2CC2)CC1 ZINC000763072220 582319476 /nfs/dbraw/zinc/31/94/76/582319476.db2.gz UCTHGUPUNFDRIN-YPMHNXCESA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@@H](C(=O)NC1CC([NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000773485209 582347662 /nfs/dbraw/zinc/34/76/62/582347662.db2.gz AYEHSWMQURYBGY-HIFPTAJRSA-N 2 1 268.405 -0.169 20 0 CBADMP Cc1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)nc(N)[nH+]1 ZINC000777831407 582357847 /nfs/dbraw/zinc/35/78/47/582357847.db2.gz CWGHJGGYSDLHQW-JTQLQIEISA-N 2 1 251.334 -0.130 20 0 CBADMP CC1(C)CN(C[C@@H](O)C[NH+]2CCCC2)CC[N@H+]1CCO ZINC000781961522 582367020 /nfs/dbraw/zinc/36/70/20/582367020.db2.gz ANLDGZQFAXAXKV-AWEZNQCLSA-N 2 1 285.432 -0.168 20 0 CBADMP C[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC000787633818 582382216 /nfs/dbraw/zinc/38/22/16/582382216.db2.gz AHZIZMGSZGOJFP-BETUJISGSA-N 2 1 267.373 -0.271 20 0 CBADMP C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC000787633818 582382217 /nfs/dbraw/zinc/38/22/17/582382217.db2.gz AHZIZMGSZGOJFP-BETUJISGSA-N 2 1 267.373 -0.271 20 0 CBADMP NC(=O)C1=NO[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000789560947 582388687 /nfs/dbraw/zinc/38/86/87/582388687.db2.gz NWISKIYBHJYNNZ-DCAQKATOSA-N 2 1 266.345 -0.167 20 0 CBADMP NC(=O)C1=NO[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000789560947 582388688 /nfs/dbraw/zinc/38/86/88/582388688.db2.gz NWISKIYBHJYNNZ-DCAQKATOSA-N 2 1 266.345 -0.167 20 0 CBADMP CN(CC[N@@H+](C)[C@H]1CCC(=O)NC1=O)C1CC[NH+](C)CC1 ZINC000799147479 582418627 /nfs/dbraw/zinc/41/86/27/582418627.db2.gz MOJOBJHALMLQTA-ZDUSSCGKSA-N 2 1 296.415 -0.251 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C[C@H](O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000800377151 582422604 /nfs/dbraw/zinc/42/26/04/582422604.db2.gz MYKVLANHVYWGJX-SOUVJXGZSA-N 2 1 285.432 -0.170 20 0 CBADMP NC(=O)C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000808775176 582444516 /nfs/dbraw/zinc/44/45/16/582444516.db2.gz PUUYEZCTRKBESY-NWDGAFQWSA-N 2 1 255.362 -0.360 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2cnnn2C)C1 ZINC000809997994 582447738 /nfs/dbraw/zinc/44/77/38/582447738.db2.gz LAYDRBMMOAECTR-LLVKDONJSA-N 2 1 282.348 -0.077 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2cnnn2C)C1 ZINC000809997994 582447739 /nfs/dbraw/zinc/44/77/39/582447739.db2.gz LAYDRBMMOAECTR-LLVKDONJSA-N 2 1 282.348 -0.077 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N(C)C)C1 ZINC000809997758 582447754 /nfs/dbraw/zinc/44/77/54/582447754.db2.gz GWVUSDSIKRIXIB-JTQLQIEISA-N 2 1 272.349 -0.318 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N(C)C)C1 ZINC000809997758 582447755 /nfs/dbraw/zinc/44/77/55/582447755.db2.gz GWVUSDSIKRIXIB-JTQLQIEISA-N 2 1 272.349 -0.318 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N(C)C)C1 ZINC000809997759 582447835 /nfs/dbraw/zinc/44/78/35/582447835.db2.gz GWVUSDSIKRIXIB-SNVBAGLBSA-N 2 1 272.349 -0.318 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N(C)C)C1 ZINC000809997759 582447836 /nfs/dbraw/zinc/44/78/36/582447836.db2.gz GWVUSDSIKRIXIB-SNVBAGLBSA-N 2 1 272.349 -0.318 20 0 CBADMP CC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000818592662 582512491 /nfs/dbraw/zinc/51/24/91/582512491.db2.gz FWOWVXYAGYFSDH-JTQLQIEISA-N 2 1 251.334 -0.498 20 0 CBADMP CON(C)C(=O)CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818987195 582524353 /nfs/dbraw/zinc/52/43/53/582524353.db2.gz UTCKGWQWUYYCAN-NWDGAFQWSA-N 2 1 271.361 -0.151 20 0 CBADMP CON(C)C(=O)CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818987195 582524356 /nfs/dbraw/zinc/52/43/56/582524356.db2.gz UTCKGWQWUYYCAN-NWDGAFQWSA-N 2 1 271.361 -0.151 20 0 CBADMP O[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000819078746 582525986 /nfs/dbraw/zinc/52/59/86/582525986.db2.gz YUBNHDQJSXZNBF-CABCVRRESA-N 2 1 283.416 -0.247 20 0 CBADMP Cn1ncc(CCC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)n1 ZINC000819331079 582532300 /nfs/dbraw/zinc/53/23/00/582532300.db2.gz JQRNZOPZSVTXTG-CYBMUJFWSA-N 2 1 267.377 -0.208 20 0 CBADMP Cn1ncc(CCC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)n1 ZINC000819331079 582532304 /nfs/dbraw/zinc/53/23/04/582532304.db2.gz JQRNZOPZSVTXTG-CYBMUJFWSA-N 2 1 267.377 -0.208 20 0 CBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000822119733 582627712 /nfs/dbraw/zinc/62/77/12/582627712.db2.gz SLWYFYGBYILZLL-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000822119733 582627714 /nfs/dbraw/zinc/62/77/14/582627714.db2.gz SLWYFYGBYILZLL-OLZOCXBDSA-N 2 1 269.389 -0.004 20 0 CBADMP CN1C(=O)NCC12CC[NH+](C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000823656027 582676552 /nfs/dbraw/zinc/67/65/52/582676552.db2.gz XETBNKWZZONAQO-ZDUSSCGKSA-N 2 1 296.415 -0.067 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000827004560 582797084 /nfs/dbraw/zinc/79/70/84/582797084.db2.gz KXJPEVPOTBEUDX-AWEZNQCLSA-N 2 1 286.395 -0.168 20 0 CBADMP C[N@@H+]1CC[C@H]2CN(C(=O)CN3CC[NH+](C)CC3)CC[C@@H]21 ZINC000827313326 582811083 /nfs/dbraw/zinc/81/10/83/582811083.db2.gz ZKUYFTDPIBSSRY-KBPBESRZSA-N 2 1 280.416 -0.214 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)CN3CC[NH+](C)CC3)CC[C@@H]21 ZINC000827313326 582811086 /nfs/dbraw/zinc/81/10/86/582811086.db2.gz ZKUYFTDPIBSSRY-KBPBESRZSA-N 2 1 280.416 -0.214 20 0 CBADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000827577197 582824663 /nfs/dbraw/zinc/82/46/63/582824663.db2.gz FKWMBRRZKGERKP-GXTWGEPZSA-N 2 1 285.388 -0.674 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000827577197 582824665 /nfs/dbraw/zinc/82/46/65/582824665.db2.gz FKWMBRRZKGERKP-GXTWGEPZSA-N 2 1 285.388 -0.674 20 0 CBADMP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000827936807 582836318 /nfs/dbraw/zinc/83/63/18/582836318.db2.gz WGIAEIDUZIMEMO-IHRRRGAJSA-N 2 1 297.399 -0.266 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000828357942 582853733 /nfs/dbraw/zinc/85/37/33/582853733.db2.gz GNDDQCOUVSGZIK-QWHCGFSZSA-N 2 1 296.415 -0.183 20 0 CBADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000828878022 582874851 /nfs/dbraw/zinc/87/48/51/582874851.db2.gz VXEBJYSMHZUYKV-AAEUAGOBSA-N 2 1 268.405 -0.134 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000828956273 582878972 /nfs/dbraw/zinc/87/89/72/582878972.db2.gz LFLQEMUKESXJKC-RYUDHWBXSA-N 2 1 255.362 -0.049 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000828956272 582879012 /nfs/dbraw/zinc/87/90/12/582879012.db2.gz LFLQEMUKESXJKC-NWDGAFQWSA-N 2 1 255.362 -0.049 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@]3(F)CC[NH2+]C3)CC2)C1 ZINC000829716116 582895982 /nfs/dbraw/zinc/89/59/82/582895982.db2.gz VQESVUOEVMMDIB-HIFRSBDPSA-N 2 1 298.406 -0.074 20 0 CBADMP COCC[N@H+]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000830355244 582929465 /nfs/dbraw/zinc/92/94/65/582929465.db2.gz DTKKCTYDBXRKTI-CYBMUJFWSA-N 2 1 273.352 -0.131 20 0 CBADMP C[C@]1(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000831031367 582950831 /nfs/dbraw/zinc/95/08/31/582950831.db2.gz OJTOBBMSBKNHAB-SCRDCRAPSA-N 2 1 282.388 -0.099 20 0 CBADMP C[C@]1(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000831031365 582950872 /nfs/dbraw/zinc/95/08/72/582950872.db2.gz OJTOBBMSBKNHAB-OBJOEFQTSA-N 2 1 282.388 -0.099 20 0 CBADMP CCO[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH+](C)C ZINC000831745668 583000466 /nfs/dbraw/zinc/00/04/66/583000466.db2.gz UZIFZDSZPYLPMW-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP CCO[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH+](C)C ZINC000831745668 583000469 /nfs/dbraw/zinc/00/04/69/583000469.db2.gz UZIFZDSZPYLPMW-VXGBXAGGSA-N 2 1 273.377 -0.600 20 0 CBADMP CCO[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)C[NH+](C)C ZINC000831746545 583000633 /nfs/dbraw/zinc/00/06/33/583000633.db2.gz YJFBWJVTKCRBSH-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP CCO[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C[NH+](C)C ZINC000831746545 583000635 /nfs/dbraw/zinc/00/06/35/583000635.db2.gz YJFBWJVTKCRBSH-CHWSQXEVSA-N 2 1 287.404 -0.210 20 0 CBADMP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831971336 583009332 /nfs/dbraw/zinc/00/93/32/583009332.db2.gz VJMODBRMISEUCI-QWRGUYRKSA-N 2 1 271.361 -0.133 20 0 CBADMP O=C(NCC[N@@H+]1CCCOCC1)[C@]1(F)CC[NH2+]C1 ZINC000832002429 583010131 /nfs/dbraw/zinc/01/01/31/583010131.db2.gz LGWRDIUZJJUWRI-LBPRGKRZSA-N 2 1 259.325 -0.474 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)[C@]1(F)CC[NH2+]C1 ZINC000832002429 583010134 /nfs/dbraw/zinc/01/01/34/583010134.db2.gz LGWRDIUZJJUWRI-LBPRGKRZSA-N 2 1 259.325 -0.474 20 0 CBADMP C[NH2+][C@H](C(=O)NCC[NH2+]C1CC1)c1cnn(C)c1 ZINC000832586639 583030647 /nfs/dbraw/zinc/03/06/47/583030647.db2.gz FJRRPPRJWNABFK-NSHDSACASA-N 2 1 251.334 -0.451 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832603527 583031719 /nfs/dbraw/zinc/03/17/19/583031719.db2.gz JRNATLZCBQXHNG-NSHDSACASA-N 2 1 281.312 -0.147 20 0 CBADMP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000838818473 583153516 /nfs/dbraw/zinc/15/35/16/583153516.db2.gz HGUGQMFGHQXSMC-AWEZNQCLSA-N 2 1 281.400 -0.003 20 0 CBADMP C[NH+](C)CCNC(=S)NC[C@H]1CCC[N@H+]1CCCO ZINC000840778906 583167550 /nfs/dbraw/zinc/16/75/50/583167550.db2.gz HFKHLVGTURBFPM-GFCCVEGCSA-N 2 1 288.461 -0.141 20 0 CBADMP C[NH+](C)C1(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC000841453806 583170831 /nfs/dbraw/zinc/17/08/31/583170831.db2.gz VJOZIBWQDSYNRF-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP CC[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000841789762 583174115 /nfs/dbraw/zinc/17/41/15/583174115.db2.gz QMHPBRZLJZUHGS-TUAOUCFPSA-N 2 1 270.377 -0.114 20 0 CBADMP [NH3+]CCCCCCC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000842476756 583184350 /nfs/dbraw/zinc/18/43/50/583184350.db2.gz UZPNRLSHRYTBKI-GFCCVEGCSA-N 2 1 282.388 -0.462 20 0 CBADMP Cn1cc(C[N@@H+](C)C2CCC([NH3+])CC2)c(=O)n(C)c1=O ZINC000843055605 583198620 /nfs/dbraw/zinc/19/86/20/583198620.db2.gz HQVQMOQBRSFTAC-UHFFFAOYSA-N 2 1 280.372 -0.214 20 0 CBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCN1CCOC1=O ZINC000843377326 583213753 /nfs/dbraw/zinc/21/37/53/583213753.db2.gz TVIVFEWFGNOSRN-LBPRGKRZSA-N 2 1 298.387 -0.242 20 0 CBADMP C[N@H+]1CCCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000843463129 583223599 /nfs/dbraw/zinc/22/35/99/583223599.db2.gz ZIBJGJPCYBQIGO-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP O=C(N1CC[NH2+]C[C@H]1C(F)F)[C@@]1(F)CC[NH2+]C1 ZINC000843481160 583226426 /nfs/dbraw/zinc/22/64/26/583226426.db2.gz PQFPBRUCUAPKQS-OIBJUYFYSA-N 2 1 251.252 -0.247 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CCC1 ZINC000843998258 583243176 /nfs/dbraw/zinc/24/31/76/583243176.db2.gz RQLCSICGEZYPSH-GFCCVEGCSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CCC1 ZINC000843998258 583243181 /nfs/dbraw/zinc/24/31/81/583243181.db2.gz RQLCSICGEZYPSH-GFCCVEGCSA-N 2 1 267.373 -0.252 20 0 CBADMP CC[NH+]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844165597 583255259 /nfs/dbraw/zinc/25/52/59/583255259.db2.gz KSVSSMJBWAGSTP-LBPRGKRZSA-N 2 1 255.362 -0.081 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844181271 583258303 /nfs/dbraw/zinc/25/83/03/583258303.db2.gz WYNYVKGFQBZHGF-FHUSYTEZSA-N 2 1 265.357 -0.569 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844182472 583258436 /nfs/dbraw/zinc/25/84/36/583258436.db2.gz GFYFADISQGTBBR-CHWSQXEVSA-N 2 1 285.388 -0.408 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844181466 583258483 /nfs/dbraw/zinc/25/84/83/583258483.db2.gz RFFJPMUEUBNULD-KBPBESRZSA-N 2 1 299.415 -0.018 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)CO[C@H]2CCC[NH2+]C2)n1C ZINC000844184305 583258836 /nfs/dbraw/zinc/25/88/36/583258836.db2.gz IHYPVJXSPVXQGI-LBPRGKRZSA-N 2 1 295.387 -0.129 20 0 CBADMP CC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000844187185 583259551 /nfs/dbraw/zinc/25/95/51/583259551.db2.gz GEBRPLQATOWPAA-CYBMUJFWSA-N 2 1 284.404 -0.881 20 0 CBADMP CC[NH2+]CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000844185151 583259658 /nfs/dbraw/zinc/25/96/58/583259658.db2.gz GYLAANSUNGKNAV-LBPRGKRZSA-N 2 1 268.405 -0.119 20 0 CBADMP CC[NH2+]CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000844185151 583259660 /nfs/dbraw/zinc/25/96/60/583259660.db2.gz GYLAANSUNGKNAV-LBPRGKRZSA-N 2 1 268.405 -0.119 20 0 CBADMP C[N@@H+](CCCCCC[NH3+])CCNS(C)(=O)=O ZINC000846218615 583355501 /nfs/dbraw/zinc/35/55/01/583355501.db2.gz TXHPIERYCWVPBC-UHFFFAOYSA-N 2 1 251.396 -0.014 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000846716608 583385612 /nfs/dbraw/zinc/38/56/12/583385612.db2.gz DFCVWIHDOANTRO-NEPJUHHUSA-N 2 1 256.394 -0.134 20 0 CBADMP C[NH+](C)C1(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCC1 ZINC000848305738 583439676 /nfs/dbraw/zinc/43/96/76/583439676.db2.gz GJPAPOBWSMZBTI-NWDGAFQWSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+](C)CCCNC(=S)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848650962 583453693 /nfs/dbraw/zinc/45/36/93/583453693.db2.gz WKPOZJZKHZAGDO-NWDGAFQWSA-N 2 1 286.445 -0.437 20 0 CBADMP C[C@H]1CN(C(=[NH2+])NCCC[NH+]2CCOCC2)CCO1 ZINC000848980397 583463668 /nfs/dbraw/zinc/46/36/68/583463668.db2.gz HYDLWFLFORZGCX-LBPRGKRZSA-N 2 1 270.377 -0.046 20 0 CBADMP CC(C)CNC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000848986493 583464672 /nfs/dbraw/zinc/46/46/72/583464672.db2.gz YHBQREKMIILLCJ-UHFFFAOYSA-N 2 1 269.393 -0.080 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1COCCO1 ZINC000848994684 583465299 /nfs/dbraw/zinc/46/52/99/583465299.db2.gz PTTKKIDOZUYMST-GFCCVEGCSA-N 2 1 286.376 -0.762 20 0 CBADMP C[C@@H]1CN(C(=[NH2+])NCC[NH+]2CCC(O)CC2)CCO1 ZINC000849038470 583470602 /nfs/dbraw/zinc/47/06/02/583470602.db2.gz POJDENJEOIJWAY-LLVKDONJSA-N 2 1 270.377 -0.312 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H]1C[C@@H](O)C1 ZINC000849038675 583470688 /nfs/dbraw/zinc/47/06/88/583470688.db2.gz XQRRFFWYEPTSIK-PHIMTYICSA-N 2 1 256.350 -0.654 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@](C)(CO)OC ZINC000849048489 583471916 /nfs/dbraw/zinc/47/19/16/583471916.db2.gz IBLPEEWBORERPV-AAEUAGOBSA-N 2 1 272.393 -0.018 20 0 CBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H](CO)CCF ZINC000849050019 583471926 /nfs/dbraw/zinc/47/19/26/583471926.db2.gz WXWDJRDCSIZLAZ-NSHDSACASA-N 2 1 276.356 -0.457 20 0 CBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)NCC12CC(C1)C[NH2+]2 ZINC000851657088 583518198 /nfs/dbraw/zinc/51/81/98/583518198.db2.gz UVMCONLIPFGPSZ-ICRTXTNUSA-N 2 1 294.399 -0.099 20 0 CBADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000851689424 583521909 /nfs/dbraw/zinc/52/19/09/583521909.db2.gz OXYUBMGHTAHWCQ-UWVGGRQHSA-N 2 1 270.377 -0.561 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)C[NH2+]C)C(C)C ZINC000851691243 583522153 /nfs/dbraw/zinc/52/21/53/583522153.db2.gz GBQJCSZJDJRBEF-NSHDSACASA-N 2 1 272.393 -0.443 20 0 CBADMP O=C1N[C@@H]2C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CC[C@H]2CO1 ZINC000852752657 583551715 /nfs/dbraw/zinc/55/17/15/583551715.db2.gz GPUGYIKXLDAKRQ-QJPTWQEYSA-N 2 1 281.356 -0.062 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852755526 583551935 /nfs/dbraw/zinc/55/19/35/583551935.db2.gz ROGZMBVMDWRNIJ-ZYHUDNBSSA-N 2 1 257.334 -0.517 20 0 CBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852755526 583551937 /nfs/dbraw/zinc/55/19/37/583551937.db2.gz ROGZMBVMDWRNIJ-ZYHUDNBSSA-N 2 1 257.334 -0.517 20 0 CBADMP COC(=O)[C@@]1(F)CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000852753764 583551941 /nfs/dbraw/zinc/55/19/41/583551941.db2.gz RMUOIDCGWRQBFU-GFCCVEGCSA-N 2 1 259.325 -0.521 20 0 CBADMP COC(=O)[C@@]1(F)CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000852753764 583551942 /nfs/dbraw/zinc/55/19/42/583551942.db2.gz RMUOIDCGWRQBFU-GFCCVEGCSA-N 2 1 259.325 -0.521 20 0 CBADMP O=C(CC[N@H+]1CC[C@@H](N2CCOC2=O)C1)N1CC[NH2+]CC1 ZINC000852755180 583552003 /nfs/dbraw/zinc/55/20/03/583552003.db2.gz GFOUTZWBXBAZMY-GFCCVEGCSA-N 2 1 296.371 -0.665 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852860132 583562082 /nfs/dbraw/zinc/56/20/82/583562082.db2.gz KXMRKYBHEFZYPE-VHSXEESVSA-N 2 1 254.334 -0.452 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)=NO1 ZINC000852859321 583562154 /nfs/dbraw/zinc/56/21/54/583562154.db2.gz RMCQVMPKXMNIKC-MXWKQRLJSA-N 2 1 266.345 -0.167 20 0 CBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852860627 583562386 /nfs/dbraw/zinc/56/23/86/583562386.db2.gz TUPNWJWOZSSAMT-GHMZBOCLSA-N 2 1 268.361 -0.110 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852860650 583562403 /nfs/dbraw/zinc/56/24/03/583562403.db2.gz TZJJQNMCPFWQAH-SNVBAGLBSA-N 2 1 272.349 -0.826 20 0 CBADMP C[C@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)C[NH+]1CCOCC1 ZINC000852863397 583563344 /nfs/dbraw/zinc/56/33/44/583563344.db2.gz NEZSMPXBUBNISC-GHMZBOCLSA-N 2 1 284.360 -0.826 20 0 CBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852864695 583563603 /nfs/dbraw/zinc/56/36/03/583563603.db2.gz FCQABKSCWWKLNR-ZJUUUORDSA-N 2 1 256.350 -0.064 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852864694 583563623 /nfs/dbraw/zinc/56/36/23/583563623.db2.gz FCQABKSCWWKLNR-VHSXEESVSA-N 2 1 256.350 -0.064 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)=NO1 ZINC000852864319 583563673 /nfs/dbraw/zinc/56/36/73/583563673.db2.gz SAGGFTDLMNKIMD-DCAQKATOSA-N 2 1 282.344 -0.931 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)=NO1 ZINC000852864320 583563724 /nfs/dbraw/zinc/56/37/24/583563724.db2.gz SAGGFTDLMNKIMD-GARJFASQSA-N 2 1 282.344 -0.931 20 0 CBADMP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000852865415 583563901 /nfs/dbraw/zinc/56/39/01/583563901.db2.gz BVAVKELATLHRIE-GHMZBOCLSA-N 2 1 266.345 -0.215 20 0 CBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852865149 583564173 /nfs/dbraw/zinc/56/41/73/583564173.db2.gz SLMFQYRLPVWQME-QWRGUYRKSA-N 2 1 284.360 -0.683 20 0 CBADMP CN(C)c1[nH+]cc(CNC(=O)C2=NO[C@H](C[NH3+])C2)n1C ZINC000852867918 583564729 /nfs/dbraw/zinc/56/47/29/583564729.db2.gz HHISPVCVSDBADK-VIFPVBQESA-N 2 1 280.332 -0.794 20 0 CBADMP C[C@@H]1C[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@H+]1C ZINC000852868819 583564821 /nfs/dbraw/zinc/56/48/21/583564821.db2.gz VKXHEEYWWGLGEI-OPRDCNLKSA-N 2 1 254.334 -0.311 20 0 CBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852872885 583565623 /nfs/dbraw/zinc/56/56/23/583565623.db2.gz SPCAHNNRFPLOOO-HLUHBDAQSA-N 2 1 266.345 -0.311 20 0 CBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852880906 583566912 /nfs/dbraw/zinc/56/69/12/583566912.db2.gz GAYDGUHHJATSTH-LDYMZIIASA-N 2 1 258.297 -0.750 20 0 CBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852885468 583568790 /nfs/dbraw/zinc/56/87/90/583568790.db2.gz VJGIDZQFWWNFLH-JQWIXIFHSA-N 2 1 268.361 -0.111 20 0 CBADMP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)=NO1 ZINC000852889895 583569769 /nfs/dbraw/zinc/56/97/69/583569769.db2.gz GPSBUJCRZWNQJT-AAEUAGOBSA-N 2 1 289.339 -0.342 20 0 CBADMP C[C@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000852898325 583572079 /nfs/dbraw/zinc/57/20/79/583572079.db2.gz YNUNFQHFTBSHQV-WYUUTHIRSA-N 2 1 298.387 -0.296 20 0 CBADMP C[C@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000852898325 583572080 /nfs/dbraw/zinc/57/20/80/583572080.db2.gz YNUNFQHFTBSHQV-WYUUTHIRSA-N 2 1 298.387 -0.296 20 0 CBADMP COC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346279 583636511 /nfs/dbraw/zinc/63/65/11/583636511.db2.gz VDCKFHAFADLTRJ-NSHDSACASA-N 2 1 288.392 -0.269 20 0 CBADMP COC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346279 583636512 /nfs/dbraw/zinc/63/65/12/583636512.db2.gz VDCKFHAFADLTRJ-NSHDSACASA-N 2 1 288.392 -0.269 20 0 CBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCN1C=O ZINC000855345438 583636561 /nfs/dbraw/zinc/63/65/61/583636561.db2.gz AJOWSSLDWVODES-KBPBESRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCN1C=O ZINC000855345438 583636563 /nfs/dbraw/zinc/63/65/63/583636563.db2.gz AJOWSSLDWVODES-KBPBESRZSA-N 2 1 298.431 -0.005 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000857102651 583664376 /nfs/dbraw/zinc/66/43/76/583664376.db2.gz ITNAMNFNJNQMGO-SRVKXCTJSA-N 2 1 270.377 -0.114 20 0 CBADMP C[C@H]([NH3+])CCNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000857102784 583664658 /nfs/dbraw/zinc/66/46/58/583664658.db2.gz LQAQCZGPBDHBAG-NSHDSACASA-N 2 1 299.419 -0.425 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC([NH+](C)C)C2)C1 ZINC000857230937 583667894 /nfs/dbraw/zinc/66/78/94/583667894.db2.gz OYWAYXKIFZKNIU-HTAVTVPLSA-N 2 1 255.362 -0.084 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC([NH+](C)C)C2)C1 ZINC000857230937 583667896 /nfs/dbraw/zinc/66/78/96/583667896.db2.gz OYWAYXKIFZKNIU-HTAVTVPLSA-N 2 1 255.362 -0.084 20 0 CBADMP Nc1nc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nc(N)[nH+]1 ZINC000858374635 583693412 /nfs/dbraw/zinc/69/34/12/583693412.db2.gz RFFWTAAPDJWTTI-HTQZYQBOSA-N 2 1 265.321 -0.689 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861574835 583771369 /nfs/dbraw/zinc/77/13/69/583771369.db2.gz ZAXZNNXLVFMLGE-WUHRBBMRSA-N 2 1 282.388 -0.101 20 0 CBADMP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861574847 583771376 /nfs/dbraw/zinc/77/13/76/583771376.db2.gz ZBTZDCKSLPNYPC-FRRDWIJNSA-N 2 1 298.387 -0.863 20 0 CBADMP C[C@H](CNC(=O)N(C)C[C@H](C)[NH3+])CN1CC[NH+](C)CC1 ZINC000861592580 583771972 /nfs/dbraw/zinc/77/19/72/583771972.db2.gz NRUBCQVILHDEJF-OLZOCXBDSA-N 2 1 285.436 -0.142 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000861605000 583772243 /nfs/dbraw/zinc/77/22/43/583772243.db2.gz WEYREDZOJDTNQO-VIFPVBQESA-N 2 1 268.365 -0.025 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000861742854 583783010 /nfs/dbraw/zinc/78/30/10/583783010.db2.gz MFOAVTRZAADVPD-ZJUUUORDSA-N 2 1 268.361 -0.855 20 0 CBADMP C[NH+]1CCC(NC(=S)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000863235601 583835160 /nfs/dbraw/zinc/83/51/60/583835160.db2.gz AUVLZQFSHKZPFO-GFCCVEGCSA-N 2 1 286.445 -0.389 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000863755192 583853247 /nfs/dbraw/zinc/85/32/47/583853247.db2.gz LDSAXOCTGMIRST-JQWIXIFHSA-N 2 1 282.388 -0.513 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000863763316 583854491 /nfs/dbraw/zinc/85/44/91/583854491.db2.gz YJCDGFCFAIMZNW-XQQFMLRXSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000863763315 583854606 /nfs/dbraw/zinc/85/46/06/583854606.db2.gz YJCDGFCFAIMZNW-RWMBFGLXSA-N 2 1 296.415 -0.265 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863764698 583854676 /nfs/dbraw/zinc/85/46/76/583854676.db2.gz VUSJHBPYJIXXIH-CHWSQXEVSA-N 2 1 298.431 -0.018 20 0 CBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863769079 583855552 /nfs/dbraw/zinc/85/55/52/583855552.db2.gz JBVMOYFVDVWIQH-NEPJUHHUSA-N 2 1 284.404 -0.267 20 0 CBADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000863774101 583855991 /nfs/dbraw/zinc/85/59/91/583855991.db2.gz PLUFLMGEBXFUFJ-RISCZKNCSA-N 2 1 282.388 -0.654 20 0 CBADMP c1c(CCC[NH+]2CCOCC2)nnn1C[C@@H]1C[NH2+]CCO1 ZINC000864651203 583885766 /nfs/dbraw/zinc/88/57/66/583885766.db2.gz VXHUXUMUSBYOQZ-AWEZNQCLSA-N 2 1 295.387 -0.469 20 0 CBADMP C[C@H](O)[C@@H](O)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000865739893 583908327 /nfs/dbraw/zinc/90/83/27/583908327.db2.gz XKJPBYKOTNVUCH-AAEUAGOBSA-N 2 1 295.387 -0.940 20 0 CBADMP C[NH+]1CCC([NH2+]C[C@@]23COC(=O)N2CCOC3)CC1 ZINC000865769542 583908733 /nfs/dbraw/zinc/90/87/33/583908733.db2.gz XEQZWTDHMXKPGY-CYBMUJFWSA-N 2 1 269.345 -0.109 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000866664536 583926268 /nfs/dbraw/zinc/92/62/68/583926268.db2.gz FSOPPKBUWFBMSS-LBPRGKRZSA-N 2 1 250.350 -0.172 20 0 CBADMP Cn1nnnc1CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000866664536 583926269 /nfs/dbraw/zinc/92/62/69/583926269.db2.gz FSOPPKBUWFBMSS-LBPRGKRZSA-N 2 1 250.350 -0.172 20 0 CBADMP O=C(C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NC1CC1 ZINC000866706774 583927781 /nfs/dbraw/zinc/92/77/81/583927781.db2.gz CTKCLQHTPYQEGS-UTUOFQBUSA-N 2 1 294.355 -0.868 20 0 CBADMP O=C(C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NC1CC1 ZINC000866706774 583927783 /nfs/dbraw/zinc/92/77/83/583927783.db2.gz CTKCLQHTPYQEGS-UTUOFQBUSA-N 2 1 294.355 -0.868 20 0 CBADMP COCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708055 583927787 /nfs/dbraw/zinc/92/77/87/583927787.db2.gz MORWCCWIMYIQJW-MXWKQRLJSA-N 2 1 255.318 -0.500 20 0 CBADMP CCOC(=O)CC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711097 583928073 /nfs/dbraw/zinc/92/80/73/583928073.db2.gz BVRYIUKWCVHLKP-UTUOFQBUSA-N 2 1 297.355 -0.194 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000866709151 583928156 /nfs/dbraw/zinc/92/81/56/583928156.db2.gz QNOATRIRAPONGB-XDQVBPFNSA-N 3 1 294.399 -0.147 20 0 CBADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000866709151 583928157 /nfs/dbraw/zinc/92/81/57/583928157.db2.gz QNOATRIRAPONGB-XDQVBPFNSA-N 3 1 294.399 -0.147 20 0 CBADMP O=C1NCCO[C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)[C@H]12 ZINC000866717908 583928610 /nfs/dbraw/zinc/92/86/10/583928610.db2.gz TZTTZYAGNZOKRU-UPJWGTAASA-N 2 1 267.373 -0.035 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000866717885 583928615 /nfs/dbraw/zinc/92/86/15/583928615.db2.gz SMKTXHIDEJCCTJ-QWRGUYRKSA-N 2 1 250.350 -0.174 20 0 CBADMP Cn1nnnc1CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000866717885 583928617 /nfs/dbraw/zinc/92/86/17/583928617.db2.gz SMKTXHIDEJCCTJ-QWRGUYRKSA-N 2 1 250.350 -0.174 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC[NH2+]1 ZINC000868389204 583976918 /nfs/dbraw/zinc/97/69/18/583976918.db2.gz NZZQZHDQEQXGFM-FRRDWIJNSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)C1 ZINC000868405121 583977749 /nfs/dbraw/zinc/97/77/49/583977749.db2.gz HPNSSTMHGQVKQA-GFCCVEGCSA-N 2 1 296.415 -0.251 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868410126 583978209 /nfs/dbraw/zinc/97/82/09/583978209.db2.gz JILNXAFKBUGKOQ-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868410122 583978330 /nfs/dbraw/zinc/97/83/30/583978330.db2.gz JILNXAFKBUGKOQ-NWDGAFQWSA-N 2 1 282.388 -0.654 20 0 CBADMP COCC[NH2+]CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980907 584024009 /nfs/dbraw/zinc/02/40/09/584024009.db2.gz DSHGDHRCOLVZLF-RYUDHWBXSA-N 2 1 255.362 -0.225 20 0 CBADMP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870983871 584024475 /nfs/dbraw/zinc/02/44/75/584024475.db2.gz YWMUKAXCIQTAEZ-VWYCJHECSA-N 2 1 269.345 -0.571 20 0 CBADMP COCCN(C)C(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000871604110 584043352 /nfs/dbraw/zinc/04/33/52/584043352.db2.gz TYLURUQGOMXNEC-CYBMUJFWSA-N 2 1 285.436 -0.028 20 0 CBADMP O=C1OC[C@@]2(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)COCCN12 ZINC000872227457 584051470 /nfs/dbraw/zinc/05/14/70/584051470.db2.gz FHPYSCQBEZMTAL-TZMCWYRMSA-N 2 1 299.371 -0.746 20 0 CBADMP CN1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)CCC1=O ZINC000872252085 584052428 /nfs/dbraw/zinc/05/24/28/584052428.db2.gz OUAKFZUYTJSFJZ-UHFFFAOYSA-N 2 1 282.388 -0.639 20 0 CBADMP C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)[C@H]1CCC[NH2+]1 ZINC000873249400 584069285 /nfs/dbraw/zinc/06/92/85/584069285.db2.gz NCZXUZUMCQQXBU-WZRBSPASSA-N 2 1 269.345 -0.062 20 0 CBADMP C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)[C@@H]1CCC[NH2+]1 ZINC000873264962 584069530 /nfs/dbraw/zinc/06/95/30/584069530.db2.gz FVUHYJYCNHIUQI-OBJOEFQTSA-N 2 1 283.372 -0.656 20 0 CBADMP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000873262653 584069584 /nfs/dbraw/zinc/06/95/84/584069584.db2.gz OBGRJTCANGFLPZ-WDEREUQCSA-N 2 1 293.433 -0.342 20 0 CBADMP C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)[C@H]1CCC[NH2+]1 ZINC000873264966 584069595 /nfs/dbraw/zinc/06/95/95/584069595.db2.gz FVUHYJYCNHIUQI-YRGRVCCFSA-N 2 1 283.372 -0.656 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)C[NH+]2CCCC2)CC1 ZINC000874468243 584086033 /nfs/dbraw/zinc/08/60/33/584086033.db2.gz VQOIBIXYLVNTFX-UHFFFAOYSA-N 2 1 282.388 -0.638 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)CC1 ZINC000874837058 584092327 /nfs/dbraw/zinc/09/23/27/584092327.db2.gz HQFQDDAOBGXUQK-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP C[NH+]1CCN(CC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000874837058 584092328 /nfs/dbraw/zinc/09/23/28/584092328.db2.gz HQFQDDAOBGXUQK-ZIAGYGMSSA-N 2 1 280.416 -0.071 20 0 CBADMP CC(C)[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)[NH+]1CCOCC1 ZINC000876716228 584140635 /nfs/dbraw/zinc/14/06/35/584140635.db2.gz DTBOBDJFQNEFHU-QWHCGFSZSA-N 2 1 286.420 -0.652 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876728510 584141435 /nfs/dbraw/zinc/14/14/35/584141435.db2.gz OKVXJOVATBXJHN-UWVGGRQHSA-N 2 1 279.331 -0.089 20 0 CBADMP COC[C@@]1(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C[NH2+]CCO1 ZINC000876728466 584141447 /nfs/dbraw/zinc/14/14/47/584141447.db2.gz MXIBHFBAAFSYRV-DZGCQCFKSA-N 2 1 299.415 -0.208 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000876753967 584142502 /nfs/dbraw/zinc/14/25/02/584142502.db2.gz LESJVCNOCZGXBH-RYUDHWBXSA-N 2 1 254.378 -0.524 20 0 CBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876754151 584142904 /nfs/dbraw/zinc/14/29/04/584142904.db2.gz CBDRGYSGLBQMBL-SRVKXCTJSA-N 2 1 273.352 -0.229 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000876764418 584143272 /nfs/dbraw/zinc/14/32/72/584143272.db2.gz NKIHELBWUHIKQZ-MJBXVCDLSA-N 2 1 298.431 -0.365 20 0 CBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876775458 584143836 /nfs/dbraw/zinc/14/38/36/584143836.db2.gz WFZOVBHYPTVZKM-NEPJUHHUSA-N 2 1 256.394 -0.325 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876784084 584144480 /nfs/dbraw/zinc/14/44/80/584144480.db2.gz WKRISQISEIZFQB-HLMASZERSA-N 2 1 280.416 -0.096 20 0 CBADMP O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000876848515 584149415 /nfs/dbraw/zinc/14/94/15/584149415.db2.gz SQSSHCNYXYXQSV-ITDFMYJTSA-N 2 1 267.373 -0.321 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)C[NH2+]CCO3)CC[C@H]21 ZINC000877248520 584172300 /nfs/dbraw/zinc/17/23/00/584172300.db2.gz AVTJHJZVNNVOAA-BZPMIXESSA-N 2 1 267.373 -0.083 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877250960 584172633 /nfs/dbraw/zinc/17/26/33/584172633.db2.gz UZRGNTNTUSPQKW-SRVKXCTJSA-N 2 1 254.378 -0.572 20 0 CBADMP CC(C)[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CC[N@H+]1C ZINC000877251881 584173191 /nfs/dbraw/zinc/17/31/91/584173191.db2.gz WIVLIKMUNORJGD-NWDGAFQWSA-N 2 1 256.394 -0.326 20 0 CBADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000877935256 584188225 /nfs/dbraw/zinc/18/82/25/584188225.db2.gz MHTWRDMIVYHKBG-GFCCVEGCSA-N 2 1 269.389 -0.099 20 0 CBADMP COC(=O)[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000877975269 584189360 /nfs/dbraw/zinc/18/93/60/584189360.db2.gz IJZQTCZCZBKLIO-LLVKDONJSA-N 2 1 283.372 -0.308 20 0 CBADMP COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000877975269 584189362 /nfs/dbraw/zinc/18/93/62/584189362.db2.gz IJZQTCZCZBKLIO-LLVKDONJSA-N 2 1 283.372 -0.308 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCn1cnnn1 ZINC000878288432 584198334 /nfs/dbraw/zinc/19/83/34/584198334.db2.gz WQDGSPUFQRABHM-JHJVBQTASA-N 2 1 280.376 -0.143 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCn1cnnn1 ZINC000878288432 584198335 /nfs/dbraw/zinc/19/83/35/584198335.db2.gz WQDGSPUFQRABHM-JHJVBQTASA-N 2 1 280.376 -0.143 20 0 CBADMP CC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H]1O ZINC000878321675 584199664 /nfs/dbraw/zinc/19/96/64/584199664.db2.gz SGPJAOUYEHPCMO-AAEUAGOBSA-N 2 1 269.389 -0.101 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@H]1CO ZINC000878485176 584205408 /nfs/dbraw/zinc/20/54/08/584205408.db2.gz IZXFHYORZZHHMZ-WCQYABFASA-N 2 1 269.389 -0.101 20 0 CBADMP CN(C)C(=O)[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878708990 584215108 /nfs/dbraw/zinc/21/51/08/584215108.db2.gz CMMPLSZBQNKQAI-LBPRGKRZSA-N 2 1 296.415 -0.393 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)CC(C)(C)O)C1 ZINC000878866214 584219377 /nfs/dbraw/zinc/21/93/77/584219377.db2.gz RMFLTDPXFKLMOT-GXTWGEPZSA-N 2 1 274.405 -0.103 20 0 CBADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)CC(C)(C)O)C1 ZINC000878866214 584219378 /nfs/dbraw/zinc/21/93/78/584219378.db2.gz RMFLTDPXFKLMOT-GXTWGEPZSA-N 2 1 274.405 -0.103 20 0 CBADMP Cn1nnnc1CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000879000494 584223306 /nfs/dbraw/zinc/22/33/06/584223306.db2.gz DYWPJURXMROELK-GFCCVEGCSA-N 2 1 282.392 -0.205 20 0 CBADMP Cn1nnnc1CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000879000494 584223308 /nfs/dbraw/zinc/22/33/08/584223308.db2.gz DYWPJURXMROELK-GFCCVEGCSA-N 2 1 282.392 -0.205 20 0 CBADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879568777 584240675 /nfs/dbraw/zinc/24/06/75/584240675.db2.gz CZURLEUTUFJWSX-UWVGGRQHSA-N 2 1 254.334 -0.403 20 0 CBADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879568777 584240677 /nfs/dbraw/zinc/24/06/77/584240677.db2.gz CZURLEUTUFJWSX-UWVGGRQHSA-N 2 1 254.334 -0.403 20 0 CBADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879568777 584240680 /nfs/dbraw/zinc/24/06/80/584240680.db2.gz CZURLEUTUFJWSX-UWVGGRQHSA-N 2 1 254.334 -0.403 20 0 CBADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879568777 584240681 /nfs/dbraw/zinc/24/06/81/584240681.db2.gz CZURLEUTUFJWSX-UWVGGRQHSA-N 2 1 254.334 -0.403 20 0 CBADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCS(N)(=O)=O)CC[C@H]21 ZINC000879573059 584241259 /nfs/dbraw/zinc/24/12/59/584241259.db2.gz LPCURDLVENJPRK-GHMZBOCLSA-N 2 1 261.391 -0.309 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CCCS(N)(=O)=O)CC[C@H]21 ZINC000879573059 584241262 /nfs/dbraw/zinc/24/12/62/584241262.db2.gz LPCURDLVENJPRK-GHMZBOCLSA-N 2 1 261.391 -0.309 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CCCS(N)(=O)=O)CC[C@H]21 ZINC000879573059 584241265 /nfs/dbraw/zinc/24/12/65/584241265.db2.gz LPCURDLVENJPRK-GHMZBOCLSA-N 2 1 261.391 -0.309 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCS(N)(=O)=O)CC[C@H]21 ZINC000879573059 584241266 /nfs/dbraw/zinc/24/12/66/584241266.db2.gz LPCURDLVENJPRK-GHMZBOCLSA-N 2 1 261.391 -0.309 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+](CCCC(=O)NC(N)=O)CC[C@H]21 ZINC000879574006 584241299 /nfs/dbraw/zinc/24/12/99/584241299.db2.gz VQGTUMWRXQQLHL-GHMZBOCLSA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+](CCCC(=O)NC(N)=O)CC[C@H]21 ZINC000879574006 584241302 /nfs/dbraw/zinc/24/13/02/584241302.db2.gz VQGTUMWRXQQLHL-GHMZBOCLSA-N 2 1 268.361 -0.013 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC(=O)NC(N)=O)CC[C@H]21 ZINC000879574006 584241305 /nfs/dbraw/zinc/24/13/05/584241305.db2.gz VQGTUMWRXQQLHL-GHMZBOCLSA-N 2 1 268.361 -0.013 20 0 CBADMP C[N@@H+]1CC[C@H]2C[NH+](CCCS(N)(=O)=O)CC[C@H]21 ZINC000879573062 584241335 /nfs/dbraw/zinc/24/13/35/584241335.db2.gz LPCURDLVENJPRK-WDEREUQCSA-N 2 1 261.391 -0.309 20 0 CBADMP C[N@H+]1CC[C@H]2C[NH+](CCCS(N)(=O)=O)CC[C@H]21 ZINC000879573062 584241337 /nfs/dbraw/zinc/24/13/37/584241337.db2.gz LPCURDLVENJPRK-WDEREUQCSA-N 2 1 261.391 -0.309 20 0 CBADMP C[NH+]1CC[C@H]2C[N@H+](CCCS(N)(=O)=O)CC[C@H]21 ZINC000879573062 584241339 /nfs/dbraw/zinc/24/13/39/584241339.db2.gz LPCURDLVENJPRK-WDEREUQCSA-N 2 1 261.391 -0.309 20 0 CBADMP C[NH+]1CC[C@H]2C[N@@H+](CCCS(N)(=O)=O)CC[C@H]21 ZINC000879573062 584241341 /nfs/dbraw/zinc/24/13/41/584241341.db2.gz LPCURDLVENJPRK-WDEREUQCSA-N 2 1 261.391 -0.309 20 0 CBADMP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879581588 584241701 /nfs/dbraw/zinc/24/17/01/584241701.db2.gz MNYAFRBWZIICNG-GMXVVIOVSA-N 2 1 256.346 -0.064 20 0 CBADMP COC(=O)[C@](C)(O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879581588 584241702 /nfs/dbraw/zinc/24/17/02/584241702.db2.gz MNYAFRBWZIICNG-GMXVVIOVSA-N 2 1 256.346 -0.064 20 0 CBADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879581588 584241703 /nfs/dbraw/zinc/24/17/03/584241703.db2.gz MNYAFRBWZIICNG-GMXVVIOVSA-N 2 1 256.346 -0.064 20 0 CBADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879581588 584241704 /nfs/dbraw/zinc/24/17/04/584241704.db2.gz MNYAFRBWZIICNG-GMXVVIOVSA-N 2 1 256.346 -0.064 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580326 584241712 /nfs/dbraw/zinc/24/17/12/584241712.db2.gz SNQXOZQYBLCZPE-ILXRZTDVSA-N 2 1 285.432 -0.049 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580326 584241713 /nfs/dbraw/zinc/24/17/13/584241713.db2.gz SNQXOZQYBLCZPE-ILXRZTDVSA-N 2 1 285.432 -0.049 20 0 CBADMP COCC[NH+](C)C[C@H](O)CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580326 584241714 /nfs/dbraw/zinc/24/17/14/584241714.db2.gz SNQXOZQYBLCZPE-ILXRZTDVSA-N 2 1 285.432 -0.049 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592035 584242282 /nfs/dbraw/zinc/24/22/82/584242282.db2.gz CIEDWCYWVCNRGD-CYBMUJFWSA-N 2 1 268.405 -0.038 20 0 CBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC(c2nnnn2C)CC1 ZINC000879916167 584253596 /nfs/dbraw/zinc/25/35/96/584253596.db2.gz JGAUNVMUPCPUNA-GFCCVEGCSA-N 2 1 282.392 -0.298 20 0 CBADMP CONC(=O)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000879923571 584254307 /nfs/dbraw/zinc/25/43/07/584254307.db2.gz VYGUHGLXIWASJD-CYBMUJFWSA-N 2 1 285.388 -0.167 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879998388 584259047 /nfs/dbraw/zinc/25/90/47/584259047.db2.gz RMHCFKVPPDIXJK-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879998388 584259049 /nfs/dbraw/zinc/25/90/49/584259049.db2.gz RMHCFKVPPDIXJK-VXGBXAGGSA-N 2 1 255.362 -0.347 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNS(=O)(=O)CCC[NH+](C)C ZINC000882764091 584324856 /nfs/dbraw/zinc/32/48/56/584324856.db2.gz JBKPVRSPMPBUDB-NSHDSACASA-N 2 1 263.407 -0.048 20 0 CBADMP CC[N@H+]1CC[C@H]1CNS(=O)(=O)CCC[NH+](C)C ZINC000882764091 584324858 /nfs/dbraw/zinc/32/48/58/584324858.db2.gz JBKPVRSPMPBUDB-NSHDSACASA-N 2 1 263.407 -0.048 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000883385211 584340983 /nfs/dbraw/zinc/34/09/83/584340983.db2.gz HKVGQAHLHJASKJ-OLZOCXBDSA-N 2 1 283.420 -0.374 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000883385211 584340985 /nfs/dbraw/zinc/34/09/85/584340985.db2.gz HKVGQAHLHJASKJ-OLZOCXBDSA-N 2 1 283.420 -0.374 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000883385211 584340986 /nfs/dbraw/zinc/34/09/86/584340986.db2.gz HKVGQAHLHJASKJ-OLZOCXBDSA-N 2 1 283.420 -0.374 20 0 CBADMP CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C[C@@H]2C1 ZINC000883448619 584342959 /nfs/dbraw/zinc/34/29/59/584342959.db2.gz KQSNDQGTPBZWSH-HZSPNIEDSA-N 2 1 279.384 -0.083 20 0 CBADMP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)CCO1 ZINC000883442956 584342992 /nfs/dbraw/zinc/34/29/92/584342992.db2.gz WQCFVKQIYVBCIZ-OUAUKWLOSA-N 2 1 255.362 -0.051 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1(C)C ZINC000883641222 584345765 /nfs/dbraw/zinc/34/57/65/584345765.db2.gz JOSFGSMTSLBNOI-NEPJUHHUSA-N 2 1 294.399 -0.641 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1(C)C ZINC000883641222 584345767 /nfs/dbraw/zinc/34/57/67/584345767.db2.gz JOSFGSMTSLBNOI-NEPJUHHUSA-N 2 1 294.399 -0.641 20 0 CBADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000884188163 584364934 /nfs/dbraw/zinc/36/49/34/584364934.db2.gz ARYSKXSFWOPVFH-LBPRGKRZSA-N 2 1 296.415 -0.488 20 0 CBADMP CC1(C)C[NH2+]C[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000884431625 584381199 /nfs/dbraw/zinc/38/11/99/584381199.db2.gz ZJZMTZVZADHLRS-NEPJUHHUSA-N 2 1 296.415 -0.312 20 0 CBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000884577193 584388826 /nfs/dbraw/zinc/38/88/26/584388826.db2.gz ZHVOOZYHUPBKCV-JHJVBQTASA-N 2 1 296.415 -0.217 20 0 CBADMP CCN(C(=O)C(=O)NCC[N@@H+](CC)C1CC1)[C@H]1CC[NH2+]C1 ZINC000884601216 584389629 /nfs/dbraw/zinc/38/96/29/584389629.db2.gz DVSWEDFLLJNDBJ-ZDUSSCGKSA-N 2 1 296.415 -0.203 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884601488 584389689 /nfs/dbraw/zinc/38/96/89/584389689.db2.gz MUKNHQMCDRJFLG-RWMBFGLXSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884601742 584389763 /nfs/dbraw/zinc/38/97/63/584389763.db2.gz UQPJEQYFPPRFPA-QJPTWQEYSA-N 2 1 284.404 -0.219 20 0 CBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884617449 584391029 /nfs/dbraw/zinc/39/10/29/584391029.db2.gz MSAMBCRNKLQJGX-AVGNSLFASA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884626141 584391647 /nfs/dbraw/zinc/39/16/47/584391647.db2.gz BFGHDCVWKLITKH-VOAKCMCISA-N 2 1 294.399 -0.323 20 0 CBADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884626195 584391820 /nfs/dbraw/zinc/39/18/20/584391820.db2.gz DFZVXOCAHGITHX-CYDGBPFRSA-N 2 1 292.383 -0.698 20 0 CBADMP CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000884631378 584392155 /nfs/dbraw/zinc/39/21/55/584392155.db2.gz IGPXXPGLBRZDFP-GFCCVEGCSA-N 2 1 296.415 -0.170 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000884673749 584394473 /nfs/dbraw/zinc/39/44/73/584394473.db2.gz FDOKXZAAQMHGIM-UPJWGTAASA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884685036 584396192 /nfs/dbraw/zinc/39/61/92/584396192.db2.gz VUCSYTDMEHQQID-VIFPVBQESA-N 2 1 256.350 -0.998 20 0 CBADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884685036 584396194 /nfs/dbraw/zinc/39/61/94/584396194.db2.gz VUCSYTDMEHQQID-VIFPVBQESA-N 2 1 256.350 -0.998 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000884687947 584396653 /nfs/dbraw/zinc/39/66/53/584396653.db2.gz NWEJECDKXDLMAR-UPJWGTAASA-N 2 1 294.399 -0.593 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884699034 584398383 /nfs/dbraw/zinc/39/83/83/584398383.db2.gz WMTJQHPJCFOZBM-SNVBAGLBSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884699034 584398384 /nfs/dbraw/zinc/39/83/84/584398384.db2.gz WMTJQHPJCFOZBM-SNVBAGLBSA-N 2 1 270.377 -0.750 20 0 CBADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000884704128 584398924 /nfs/dbraw/zinc/39/89/24/584398924.db2.gz VPHFMMXXNTYLTK-NSHDSACASA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCC(C)(C)[NH3+])CC[C@@H]21 ZINC000884709027 584399810 /nfs/dbraw/zinc/39/98/10/584399810.db2.gz SGUZWBXOULDVRU-QWRGUYRKSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])CCC3)CC[C@H]21 ZINC000884715583 584400084 /nfs/dbraw/zinc/40/00/84/584400084.db2.gz YGGZGHZPBYGAFQ-NWDGAFQWSA-N 2 1 294.399 -0.463 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])CCC3)CC[C@@H]21 ZINC000884715584 584400139 /nfs/dbraw/zinc/40/01/39/584400139.db2.gz YGGZGHZPBYGAFQ-RYUDHWBXSA-N 2 1 294.399 -0.463 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1(C)C ZINC000884724059 584400814 /nfs/dbraw/zinc/40/08/14/584400814.db2.gz HNTOXPQRQLILAW-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1(C)C ZINC000884724059 584400818 /nfs/dbraw/zinc/40/08/18/584400818.db2.gz HNTOXPQRQLILAW-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884824062 584403940 /nfs/dbraw/zinc/40/39/40/584403940.db2.gz PPSKZBQGEFPFEI-RVMXOQNASA-N 2 1 294.399 -0.594 20 0 CBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884824061 584404004 /nfs/dbraw/zinc/40/40/04/584404004.db2.gz PPSKZBQGEFPFEI-LOWDOPEQSA-N 2 1 294.399 -0.594 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000886590562 584443774 /nfs/dbraw/zinc/44/37/74/584443774.db2.gz YQTMVAOOPUMOQN-MDZLAQPJSA-N 2 1 256.346 -0.016 20 0 CBADMP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000886590562 584443775 /nfs/dbraw/zinc/44/37/75/584443775.db2.gz YQTMVAOOPUMOQN-MDZLAQPJSA-N 2 1 256.346 -0.016 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000886967331 584452713 /nfs/dbraw/zinc/45/27/13/584452713.db2.gz XSYFRIIAQZTWFE-MRVPVSSYSA-N 2 1 286.298 -0.511 20 0 CBADMP CCN(C(=O)C(=O)N1CC[NH+](C(C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000887066587 584460920 /nfs/dbraw/zinc/46/09/20/584460920.db2.gz PDERGTPNEMTUJC-CYBMUJFWSA-N 2 1 296.415 -0.251 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000890057946 584540456 /nfs/dbraw/zinc/54/04/56/584540456.db2.gz RJTSXLMRXWSNRV-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000890057946 584540459 /nfs/dbraw/zinc/54/04/59/584540459.db2.gz RJTSXLMRXWSNRV-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000890057946 584540462 /nfs/dbraw/zinc/54/04/62/584540462.db2.gz RJTSXLMRXWSNRV-NWDGAFQWSA-N 2 1 270.377 -0.554 20 0 CBADMP C[NH+]1CCN(CCCCNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000891578893 584587171 /nfs/dbraw/zinc/58/71/71/584587171.db2.gz CASQCAKNILEHNC-KBPBESRZSA-N 2 1 295.431 -0.230 20 0 CBADMP C[C@@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C[NH+]1CCOCC1 ZINC000891584122 584587310 /nfs/dbraw/zinc/58/73/10/584587310.db2.gz QDSUQRLFRPMGIS-AVGNSLFASA-N 2 1 282.388 -0.290 20 0 CBADMP C[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000891604221 584587797 /nfs/dbraw/zinc/58/77/97/584587797.db2.gz WLGWMKRLMKCOPU-MELADBBJSA-N 2 1 297.447 -0.094 20 0 CBADMP C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000891698129 584590109 /nfs/dbraw/zinc/59/01/09/584590109.db2.gz KLBWMLZYGQUBBX-YFKTTZPYSA-N 2 1 270.377 -0.163 20 0 CBADMP C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000891698129 584590111 /nfs/dbraw/zinc/59/01/11/584590111.db2.gz KLBWMLZYGQUBBX-YFKTTZPYSA-N 2 1 270.377 -0.163 20 0 CBADMP C[C@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000891697440 584590172 /nfs/dbraw/zinc/59/01/72/584590172.db2.gz DCUNQEVRELDASQ-FIQHERPVSA-N 2 1 270.377 -0.258 20 0 CBADMP C[C@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000891697440 584590173 /nfs/dbraw/zinc/59/01/73/584590173.db2.gz DCUNQEVRELDASQ-FIQHERPVSA-N 2 1 270.377 -0.258 20 0 CBADMP C[C@@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000891698973 584590618 /nfs/dbraw/zinc/59/06/18/584590618.db2.gz WBDKIYZBGZNMSO-UKTARXLSSA-N 2 1 296.415 -0.044 20 0 CBADMP C[C@@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000891698973 584590620 /nfs/dbraw/zinc/59/06/20/584590620.db2.gz WBDKIYZBGZNMSO-UKTARXLSSA-N 2 1 296.415 -0.044 20 0 CBADMP [NH3+][C@H]1C[C@H](CNC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000891916323 584594029 /nfs/dbraw/zinc/59/40/29/584594029.db2.gz BOWBDVYNUHRMQR-HAQNSBGRSA-N 2 1 270.377 -0.255 20 0 CBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC[N@H+]1CCCOCC1 ZINC000891919840 584594414 /nfs/dbraw/zinc/59/44/14/584594414.db2.gz URNQFKZMTIMKNV-NEPJUHHUSA-N 2 1 270.377 -0.160 20 0 CBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000892014510 584599162 /nfs/dbraw/zinc/59/91/62/584599162.db2.gz HRSKISZKNNVQJK-RYUDHWBXSA-N 2 1 284.404 -0.117 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCC3C[NH2+]C3)CC[C@@H]21 ZINC000892047696 584601269 /nfs/dbraw/zinc/60/12/69/584601269.db2.gz ARBFZRLTQNJZED-NEPJUHHUSA-N 2 1 252.362 -0.059 20 0 CBADMP COCC[NH2+]CCNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000892051723 584601562 /nfs/dbraw/zinc/60/15/62/584601562.db2.gz WUELXHVLTYUYES-QWHCGFSZSA-N 2 1 284.404 -0.042 20 0 CBADMP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000892061295 584602520 /nfs/dbraw/zinc/60/25/20/584602520.db2.gz FWCACGSJWFTAPS-ZJUUUORDSA-N 2 1 258.366 -0.522 20 0 CBADMP C[N@H+]1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1(C)C ZINC000892184084 584608531 /nfs/dbraw/zinc/60/85/31/584608531.db2.gz OTNTYDHFMWKVEN-LLVKDONJSA-N 2 1 270.377 -0.290 20 0 CBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3COCC[NH2+]3)CC[C@H]21 ZINC000892288995 584612766 /nfs/dbraw/zinc/61/27/66/584612766.db2.gz IMBLIFYODRYUTE-JHJVBQTASA-N 2 1 282.388 -0.290 20 0 CBADMP CN1CCN(C(=O)NC[C@H]2CCC[NH+]2C)CC[N@@H+](C)CC1 ZINC000892330299 584615160 /nfs/dbraw/zinc/61/51/60/584615160.db2.gz HUCHBDBEZDMUGY-CQSZACIVSA-N 2 1 297.447 -0.031 20 0 CBADMP CN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH+](C)CC1 ZINC000892330299 584615162 /nfs/dbraw/zinc/61/51/62/584615162.db2.gz HUCHBDBEZDMUGY-CQSZACIVSA-N 2 1 297.447 -0.031 20 0 CBADMP CN1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC[NH+](C)CC1 ZINC000892330299 584615164 /nfs/dbraw/zinc/61/51/64/584615164.db2.gz HUCHBDBEZDMUGY-CQSZACIVSA-N 2 1 297.447 -0.031 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892463749 584617055 /nfs/dbraw/zinc/61/70/55/584617055.db2.gz QHGAVKLPYUCADM-UHFFFAOYSA-N 2 1 284.404 -0.034 20 0 CBADMP C[N@H+]1CC[C@](O)(CNC(=O)N2C3CCC2(C[NH3+])CC3)C1 ZINC000892464032 584617077 /nfs/dbraw/zinc/61/70/77/584617077.db2.gz ZSPOVWNTEFXLSR-UBHUBRDASA-N 2 1 282.388 -0.282 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNc1cc[nH+]cc1CO ZINC000892468358 584617087 /nfs/dbraw/zinc/61/70/87/584617087.db2.gz SANMJUOYOZCALS-LBPRGKRZSA-N 2 1 250.346 -0.347 20 0 CBADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000892553608 584618599 /nfs/dbraw/zinc/61/85/99/584618599.db2.gz PWIRSMWGCQYAPT-XQHKEYJVSA-N 2 1 284.404 -0.180 20 0 CBADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892565121 584618946 /nfs/dbraw/zinc/61/89/46/584618946.db2.gz ABSSAAIRHAXKGO-IJLUTSLNSA-N 2 1 270.377 -0.568 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892565121 584618948 /nfs/dbraw/zinc/61/89/48/584618948.db2.gz ABSSAAIRHAXKGO-IJLUTSLNSA-N 2 1 270.377 -0.568 20 0 CBADMP COCC[NH+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892565637 584619006 /nfs/dbraw/zinc/61/90/06/584619006.db2.gz VBDSGBDIQGBLHF-TXEJJXNPSA-N 2 1 270.377 -0.303 20 0 CBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892593013 584620335 /nfs/dbraw/zinc/62/03/35/584620335.db2.gz GCNOYBHECGXUTI-QVHKTLOISA-N 2 1 296.415 -0.117 20 0 CBADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000892849423 584628207 /nfs/dbraw/zinc/62/82/07/584628207.db2.gz JEQKAGQQWUTOQE-NSHDSACASA-N 2 1 272.393 -0.178 20 0 CBADMP O=C(NCC[NH+]1CCC(O)CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000893020766 584632463 /nfs/dbraw/zinc/63/24/63/584632463.db2.gz PZZUGYLNFJBPQT-LBPRGKRZSA-N 2 1 296.415 -0.021 20 0 CBADMP C[NH+]1CCC(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000893904398 584648743 /nfs/dbraw/zinc/64/87/43/584648743.db2.gz FNGIIHMLRPYYHI-NSHDSACASA-N 2 1 261.391 -0.309 20 0 CBADMP C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000894843959 584665489 /nfs/dbraw/zinc/66/54/89/584665489.db2.gz RZARVMOUZTXAAD-ZDUSSCGKSA-N 2 1 285.436 -0.175 20 0 CBADMP COC(=O)[C@]1(O)CC[N@H+](Cc2cnc3n2CCC3)C1 ZINC000895701696 584685603 /nfs/dbraw/zinc/68/56/03/584685603.db2.gz CEBDOYQJJXKIAA-ZDUSSCGKSA-N 2 1 265.313 -0.061 20 0 CBADMP COC(=O)[C@]1(O)CC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000895701696 584685604 /nfs/dbraw/zinc/68/56/04/584685604.db2.gz CEBDOYQJJXKIAA-ZDUSSCGKSA-N 2 1 265.313 -0.061 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000896260378 584694932 /nfs/dbraw/zinc/69/49/32/584694932.db2.gz YUPXYEUXLUORAQ-KGLIPLIRSA-N 2 1 297.399 -0.456 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1C[NH+](C)CCN1C ZINC000896529249 584700747 /nfs/dbraw/zinc/70/07/47/584700747.db2.gz AGLUWHSHXFXRST-AGIUHOORSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1C[N@H+](C)CCN1C ZINC000896529249 584700749 /nfs/dbraw/zinc/70/07/49/584700749.db2.gz AGLUWHSHXFXRST-AGIUHOORSA-N 2 1 268.405 -0.169 20 0 CBADMP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@H]1C[N@@H+](C)CCN1C ZINC000896531562 584701258 /nfs/dbraw/zinc/70/12/58/584701258.db2.gz PSWNUTWWUHKTGA-GRYCIOLGSA-N 2 1 256.394 -0.313 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000897314030 584712607 /nfs/dbraw/zinc/71/26/07/584712607.db2.gz WJCNKWNZIWSGSU-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP CC[NH+](CC)CCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000897314030 584712608 /nfs/dbraw/zinc/71/26/08/584712608.db2.gz WJCNKWNZIWSGSU-UHFFFAOYSA-N 2 1 298.431 -0.003 20 0 CBADMP C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000897341708 584713676 /nfs/dbraw/zinc/71/36/76/584713676.db2.gz MEYYDZBGCAXBNW-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000897341708 584713677 /nfs/dbraw/zinc/71/36/77/584713677.db2.gz MEYYDZBGCAXBNW-UHFFFAOYSA-N 2 1 296.415 -0.251 20 0 CBADMP O=C(NCC[N@H+]1CCCOCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897503497 584718547 /nfs/dbraw/zinc/71/85/47/584718547.db2.gz YNKRPPFSCLMKCM-CQSZACIVSA-N 2 1 297.399 -0.454 20 0 CBADMP C[C@H]1CCC[NH+]1CCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000897514385 584719260 /nfs/dbraw/zinc/71/92/60/584719260.db2.gz PIBXXCMOPOGHAX-MELADBBJSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@H]1CCC[NH+]1CCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000897514385 584719261 /nfs/dbraw/zinc/71/92/61/584719261.db2.gz PIBXXCMOPOGHAX-MELADBBJSA-N 2 1 296.415 -0.069 20 0 CBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000897518204 584719586 /nfs/dbraw/zinc/71/95/86/584719586.db2.gz HPRUMKZCZZPZSU-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H]1CCC[NH+]1CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000897518204 584719588 /nfs/dbraw/zinc/71/95/88/584719588.db2.gz HPRUMKZCZZPZSU-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[C@@H]1CCC[NH+]1CCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000897518204 584719590 /nfs/dbraw/zinc/71/95/90/584719590.db2.gz HPRUMKZCZZPZSU-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000897559270 584720494 /nfs/dbraw/zinc/72/04/94/584720494.db2.gz GLCIRXMSWWZRDS-DGCLKSJQSA-N 2 1 294.399 -0.450 20 0 CBADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000897559270 584720495 /nfs/dbraw/zinc/72/04/95/584720495.db2.gz GLCIRXMSWWZRDS-DGCLKSJQSA-N 2 1 294.399 -0.450 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000897559270 584720496 /nfs/dbraw/zinc/72/04/96/584720496.db2.gz GLCIRXMSWWZRDS-DGCLKSJQSA-N 2 1 294.399 -0.450 20 0 CBADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000897559270 584720497 /nfs/dbraw/zinc/72/04/97/584720497.db2.gz GLCIRXMSWWZRDS-DGCLKSJQSA-N 2 1 294.399 -0.450 20 0 CBADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000897649256 584721860 /nfs/dbraw/zinc/72/18/60/584721860.db2.gz QBXDCALGFHATHE-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000897649256 584721862 /nfs/dbraw/zinc/72/18/62/584721862.db2.gz QBXDCALGFHATHE-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000897649256 584721864 /nfs/dbraw/zinc/72/18/64/584721864.db2.gz QBXDCALGFHATHE-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000897649256 584721866 /nfs/dbraw/zinc/72/18/66/584721866.db2.gz QBXDCALGFHATHE-AAEUAGOBSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CCN(CC(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)CC1 ZINC000898163244 584732421 /nfs/dbraw/zinc/73/24/21/584732421.db2.gz HDLRAZAQIMKFTC-UONOGXRCSA-N 2 1 280.416 -0.356 20 0 CBADMP C[NH+]1CCN(CC(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)CC1 ZINC000898163244 584732422 /nfs/dbraw/zinc/73/24/22/584732422.db2.gz HDLRAZAQIMKFTC-UONOGXRCSA-N 2 1 280.416 -0.356 20 0 CBADMP COCC[NH+](CCOC)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000898250520 584733279 /nfs/dbraw/zinc/73/32/79/584733279.db2.gz SHOHOZOGMOBBNN-CQSZACIVSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+](CCOC)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000898250520 584733281 /nfs/dbraw/zinc/73/32/81/584733281.db2.gz SHOHOZOGMOBBNN-CQSZACIVSA-N 2 1 299.415 -0.114 20 0 CBADMP COCC[NH+](CCOC)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000898254704 584733617 /nfs/dbraw/zinc/73/36/17/584733617.db2.gz DSMOYBXSDFBZPR-ZDUSSCGKSA-N 2 1 299.415 -0.256 20 0 CBADMP COCC[NH+](CCOC)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000898254704 584733618 /nfs/dbraw/zinc/73/36/18/584733618.db2.gz DSMOYBXSDFBZPR-ZDUSSCGKSA-N 2 1 299.415 -0.256 20 0 CBADMP CN1C(=O)C[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000899255140 584754893 /nfs/dbraw/zinc/75/48/93/584754893.db2.gz RPHOMCNBAWHINJ-NRUUGDAUSA-N 2 1 251.330 -0.373 20 0 CBADMP CN1C(=O)C[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000899255140 584754895 /nfs/dbraw/zinc/75/48/95/584754895.db2.gz RPHOMCNBAWHINJ-NRUUGDAUSA-N 2 1 251.330 -0.373 20 0 CBADMP CN1C(=O)C[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC000899255140 584754897 /nfs/dbraw/zinc/75/48/97/584754897.db2.gz RPHOMCNBAWHINJ-NRUUGDAUSA-N 2 1 251.330 -0.373 20 0 CBADMP CN1C(=O)C[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC000899255140 584754898 /nfs/dbraw/zinc/75/48/98/584754898.db2.gz RPHOMCNBAWHINJ-NRUUGDAUSA-N 2 1 251.330 -0.373 20 0 CBADMP C[N@@H+](CCO)CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000899737338 584778014 /nfs/dbraw/zinc/77/80/14/584778014.db2.gz HOYKNTGXMDYIFZ-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000899737338 584778016 /nfs/dbraw/zinc/77/80/16/584778016.db2.gz HOYKNTGXMDYIFZ-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+](CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000899737338 584778018 /nfs/dbraw/zinc/77/80/18/584778018.db2.gz HOYKNTGXMDYIFZ-LBPRGKRZSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[NH+](C)CC1 ZINC000899935483 584785749 /nfs/dbraw/zinc/78/57/49/584785749.db2.gz NSSWVUFBPKHGKE-YPMHNXCESA-N 2 1 255.362 -0.394 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[N@H+](C)CC1 ZINC000899935483 584785751 /nfs/dbraw/zinc/78/57/51/584785751.db2.gz NSSWVUFBPKHGKE-YPMHNXCESA-N 2 1 255.362 -0.394 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC[NH+](C)CC1 ZINC000899935481 584785830 /nfs/dbraw/zinc/78/58/30/584785830.db2.gz NSSWVUFBPKHGKE-WCQYABFASA-N 2 1 255.362 -0.394 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC[N@H+](C)CC1 ZINC000899935481 584785833 /nfs/dbraw/zinc/78/58/33/584785833.db2.gz NSSWVUFBPKHGKE-WCQYABFASA-N 2 1 255.362 -0.394 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000900221400 584795882 /nfs/dbraw/zinc/79/58/82/584795882.db2.gz PGQBYZMWFLZWRY-DZGCQCFKSA-N 2 1 299.415 -0.330 20 0 CBADMP C[NH+](C)CCn1cc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)cn1 ZINC000900473037 584806410 /nfs/dbraw/zinc/80/64/10/584806410.db2.gz BVDAVSGGWRZVED-TZMCWYRMSA-N 2 1 295.387 -0.162 20 0 CBADMP C[NH+](C)CCn1cc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)cn1 ZINC000900473037 584806411 /nfs/dbraw/zinc/80/64/11/584806411.db2.gz BVDAVSGGWRZVED-TZMCWYRMSA-N 2 1 295.387 -0.162 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC1CC[NH+](C)CC1 ZINC000900486084 584807314 /nfs/dbraw/zinc/80/73/14/584807314.db2.gz WVIKYXRTYZVIDW-TZMCWYRMSA-N 2 1 269.389 -0.101 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000900516394 584809267 /nfs/dbraw/zinc/80/92/67/584809267.db2.gz BUWRBSFERQMWKF-YPMHNXCESA-N 2 1 273.377 -0.864 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900516394 584809269 /nfs/dbraw/zinc/80/92/69/584809269.db2.gz BUWRBSFERQMWKF-YPMHNXCESA-N 2 1 273.377 -0.864 20 0 CBADMP COCC[NH+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900516394 584809271 /nfs/dbraw/zinc/80/92/71/584809271.db2.gz BUWRBSFERQMWKF-YPMHNXCESA-N 2 1 273.377 -0.864 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000900519217 584809760 /nfs/dbraw/zinc/80/97/60/584809760.db2.gz WKOILTTWOSBFEK-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP COCC[NH+](C)CCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900519217 584809762 /nfs/dbraw/zinc/80/97/62/584809762.db2.gz WKOILTTWOSBFEK-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP COCC[NH+](C)CCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900519217 584809764 /nfs/dbraw/zinc/80/97/64/584809764.db2.gz WKOILTTWOSBFEK-CQSZACIVSA-N 2 1 287.404 -0.472 20 0 CBADMP CN(CC[NH+]1CCCC1)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900562443 584812251 /nfs/dbraw/zinc/81/22/51/584812251.db2.gz XORWQJZTALOFFT-JSGCOSHPSA-N 2 1 269.389 -0.004 20 0 CBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000900578829 584813149 /nfs/dbraw/zinc/81/31/49/584813149.db2.gz OCJRTMPXHFGQCC-UMVBOHGHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000900578829 584813151 /nfs/dbraw/zinc/81/31/51/584813151.db2.gz OCJRTMPXHFGQCC-UMVBOHGHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900578829 584813153 /nfs/dbraw/zinc/81/31/53/584813153.db2.gz OCJRTMPXHFGQCC-UMVBOHGHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900578829 584813155 /nfs/dbraw/zinc/81/31/55/584813155.db2.gz OCJRTMPXHFGQCC-UMVBOHGHSA-N 2 1 299.415 -0.332 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900625634 584817288 /nfs/dbraw/zinc/81/72/88/584817288.db2.gz XTKAKGIOZODCKZ-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900625634 584817290 /nfs/dbraw/zinc/81/72/90/584817290.db2.gz XTKAKGIOZODCKZ-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900625634 584817292 /nfs/dbraw/zinc/81/72/92/584817292.db2.gz XTKAKGIOZODCKZ-UKRRQHHQSA-N 2 1 299.415 -0.330 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000900630654 584817529 /nfs/dbraw/zinc/81/75/29/584817529.db2.gz OTMWKBJWFGTRDD-BZPMIXESSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000900630654 584817530 /nfs/dbraw/zinc/81/75/30/584817530.db2.gz OTMWKBJWFGTRDD-BZPMIXESSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000900630654 584817531 /nfs/dbraw/zinc/81/75/31/584817531.db2.gz OTMWKBJWFGTRDD-BZPMIXESSA-N 2 1 269.389 -0.101 20 0 CBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000900659378 584819332 /nfs/dbraw/zinc/81/93/32/584819332.db2.gz MTIYHJRGDRZFGF-UKRRQHHQSA-N 2 1 298.431 -0.805 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900659378 584819333 /nfs/dbraw/zinc/81/93/33/584819333.db2.gz MTIYHJRGDRZFGF-UKRRQHHQSA-N 2 1 298.431 -0.805 20 0 CBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900659378 584819334 /nfs/dbraw/zinc/81/93/34/584819334.db2.gz MTIYHJRGDRZFGF-UKRRQHHQSA-N 2 1 298.431 -0.805 20 0 CBADMP C[C@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000901138960 584851529 /nfs/dbraw/zinc/85/15/29/584851529.db2.gz OYKXICXMJAPMQP-GZBFAFLISA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000901138960 584851531 /nfs/dbraw/zinc/85/15/31/584851531.db2.gz OYKXICXMJAPMQP-GZBFAFLISA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](NC(=O)C[C@]1(O)CCC[NH+](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000901138960 584851532 /nfs/dbraw/zinc/85/15/32/584851532.db2.gz OYKXICXMJAPMQP-GZBFAFLISA-N 2 1 299.415 -0.332 20 0 CBADMP C[C@H](NC(=O)C[C@]1(O)CCC[NH+](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000901138960 584851535 /nfs/dbraw/zinc/85/15/35/584851535.db2.gz OYKXICXMJAPMQP-GZBFAFLISA-N 2 1 299.415 -0.332 20 0 CBADMP C[NH+](C)C[C@](C)(O)CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000901184256 584853966 /nfs/dbraw/zinc/85/39/66/584853966.db2.gz CLRRFUCZIOVZPC-KGLIPLIRSA-N 2 1 287.404 -0.738 20 0 CBADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCO[C@]23CCOC3)C1 ZINC000903150708 584889366 /nfs/dbraw/zinc/88/93/66/584889366.db2.gz BAJOEIUDQYJAIZ-AGIUHOORSA-N 2 1 256.346 -0.409 20 0 CBADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCO[C@]23CCOC3)C1 ZINC000903150708 584889367 /nfs/dbraw/zinc/88/93/67/584889367.db2.gz BAJOEIUDQYJAIZ-AGIUHOORSA-N 2 1 256.346 -0.409 20 0 CBADMP CN1CCOC[C@]1(CO)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903282709 584889897 /nfs/dbraw/zinc/88/98/97/584889897.db2.gz UTPUGKZZARXYMY-SOUVJXGZSA-N 2 1 283.416 -0.104 20 0 CBADMP CN1CCOC[C@]1(CO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903282706 584889987 /nfs/dbraw/zinc/88/99/87/584889987.db2.gz UTPUGKZZARXYMY-QLFBSQMISA-N 2 1 283.416 -0.104 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000903421416 584890223 /nfs/dbraw/zinc/89/02/23/584890223.db2.gz OKTNAKRWFSSHKF-KFWWJZLASA-N 3 1 294.443 -0.014 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000903421416 584890224 /nfs/dbraw/zinc/89/02/24/584890224.db2.gz OKTNAKRWFSSHKF-KFWWJZLASA-N 2 1 294.443 -0.014 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000903421416 584890226 /nfs/dbraw/zinc/89/02/26/584890226.db2.gz OKTNAKRWFSSHKF-KFWWJZLASA-N 2 1 294.443 -0.014 20 0 CBADMP CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903456313 584890710 /nfs/dbraw/zinc/89/07/10/584890710.db2.gz GQMYXHWPYFFMRM-WOPDTQHZSA-N 2 1 275.418 -0.145 20 0 CBADMP CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903456313 584890711 /nfs/dbraw/zinc/89/07/11/584890711.db2.gz GQMYXHWPYFFMRM-WOPDTQHZSA-N 2 1 275.418 -0.145 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000903475786 584891107 /nfs/dbraw/zinc/89/11/07/584891107.db2.gz CXEYWDAMUHCMMW-YTWAJWBKSA-N 2 1 251.330 -0.612 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC000903492575 584891723 /nfs/dbraw/zinc/89/17/23/584891723.db2.gz FVIFZTWRHZHKLH-LOWVWBTDSA-N 2 1 279.344 -0.510 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCN1CCOCC1)C2 ZINC000903492358 584891726 /nfs/dbraw/zinc/89/17/26/584891726.db2.gz BEYOWNQTNYSCIF-GUTXKFCHSA-N 2 1 297.399 -0.469 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C)c1nnnn1C)C2 ZINC000903493731 584891788 /nfs/dbraw/zinc/89/17/88/584891788.db2.gz WCYNZJPAMHVAFP-XHSYRHOGSA-N 2 1 294.359 -0.517 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H](C)c1nnnn1C)C2 ZINC000903493731 584891790 /nfs/dbraw/zinc/89/17/90/584891790.db2.gz WCYNZJPAMHVAFP-XHSYRHOGSA-N 2 1 294.359 -0.517 20 0 CBADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493406 584891889 /nfs/dbraw/zinc/89/18/89/584891889.db2.gz RKMNSZLJGNIAJZ-WTBMIXGQSA-N 2 1 269.345 -0.537 20 0 CBADMP COCCOCC[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493871 584891931 /nfs/dbraw/zinc/89/19/31/584891931.db2.gz YPWTYOMLDJQNLG-SCRDCRAPSA-N 2 1 286.372 -0.138 20 0 CBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H]1CCN(C)C1=O)C2 ZINC000903493749 584891935 /nfs/dbraw/zinc/89/19/35/584891935.db2.gz WIUYZECNMLFMJP-OXIWPEFWSA-N 2 1 281.356 -0.571 20 0 CBADMP COCC[C@H]1C[NH2+]CCN1S(=O)(=O)CCC[NH+](C)C ZINC000903575945 584893605 /nfs/dbraw/zinc/89/36/05/584893605.db2.gz MBYYJIHZGWPTGY-LBPRGKRZSA-N 2 1 293.433 -0.422 20 0 CBADMP COCC[C@@H]1C[NH2+]CCN1S(=O)(=O)CCC[NH+](C)C ZINC000903575934 584893647 /nfs/dbraw/zinc/89/36/47/584893647.db2.gz MBYYJIHZGWPTGY-GFCCVEGCSA-N 2 1 293.433 -0.422 20 0 CBADMP O=C1NC[C@@H]2C[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCN12 ZINC000903735431 584896418 /nfs/dbraw/zinc/89/64/18/584896418.db2.gz ZXYPKKCLZUCLQB-BZPMIXESSA-N 2 1 280.372 -0.536 20 0 CBADMP O=C1NC[C@@H]2C[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCN12 ZINC000903735431 584896419 /nfs/dbraw/zinc/89/64/19/584896419.db2.gz ZXYPKKCLZUCLQB-BZPMIXESSA-N 2 1 280.372 -0.536 20 0 CBADMP O=C1NC[C@H]2C[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCN12 ZINC000903733306 584896528 /nfs/dbraw/zinc/89/65/28/584896528.db2.gz JTNYEVFWMVHQKB-STQMWFEESA-N 2 1 294.399 -0.146 20 0 CBADMP O=C1NC[C@H]2C[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCN12 ZINC000903733306 584896529 /nfs/dbraw/zinc/89/65/29/584896529.db2.gz JTNYEVFWMVHQKB-STQMWFEESA-N 2 1 294.399 -0.146 20 0 CBADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746826 584896941 /nfs/dbraw/zinc/89/69/41/584896941.db2.gz LSDCGDZWRUUICB-CRWXNKLISA-N 3 1 251.374 -0.094 20 0 CBADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746826 584896943 /nfs/dbraw/zinc/89/69/43/584896943.db2.gz LSDCGDZWRUUICB-CRWXNKLISA-N 2 1 251.374 -0.094 20 0 CBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903746305 584897048 /nfs/dbraw/zinc/89/70/48/584897048.db2.gz CCYPVESSBODTDG-AGIUHOORSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000903750809 584897368 /nfs/dbraw/zinc/89/73/68/584897368.db2.gz UINGSERWLWPGKC-RWMBFGLXSA-N 2 1 296.415 -0.123 20 0 CBADMP CN(C)C(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903756451 584897639 /nfs/dbraw/zinc/89/76/39/584897639.db2.gz RUGYCPYMYBTXDG-YDHLFZDLSA-N 2 1 296.415 -0.883 20 0 CBADMP CN(C)C(=O)[C@@H]1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC[NH2+]1 ZINC000903756451 584897640 /nfs/dbraw/zinc/89/76/40/584897640.db2.gz RUGYCPYMYBTXDG-YDHLFZDLSA-N 2 1 296.415 -0.883 20 0 CBADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCCO1 ZINC000903760033 584897866 /nfs/dbraw/zinc/89/78/66/584897866.db2.gz FGCDHMMMKQDGSY-MGPQQGTHSA-N 3 1 269.389 -0.195 20 0 CBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCCO1 ZINC000903760033 584897867 /nfs/dbraw/zinc/89/78/67/584897867.db2.gz FGCDHMMMKQDGSY-MGPQQGTHSA-N 3 1 269.389 -0.195 20 0 CBADMP CC(=O)NCC[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903764705 584898113 /nfs/dbraw/zinc/89/81/13/584898113.db2.gz VGVZYFUMRZTRPG-CHWSQXEVSA-N 2 1 255.362 -0.177 20 0 CBADMP CN1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCC1=O ZINC000903765448 584898129 /nfs/dbraw/zinc/89/81/29/584898129.db2.gz HIPILMLHGNAKBE-GXTWGEPZSA-N 2 1 267.373 -0.081 20 0 CBADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903769922 584898308 /nfs/dbraw/zinc/89/83/08/584898308.db2.gz RLPIBRBRIZVEDV-STQMWFEESA-N 3 1 257.378 -0.338 20 0 CBADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903776091 584899202 /nfs/dbraw/zinc/89/92/02/584899202.db2.gz JDDUBWURVFHSTM-AVGNSLFASA-N 2 1 294.399 -0.511 20 0 CBADMP CN1C(=O)[C@H]2C[N@@H+](C[C@@H]3CCCC[NH2+]C3)C[C@H]2C1=O ZINC000903777980 584899327 /nfs/dbraw/zinc/89/93/27/584899327.db2.gz HPLQPJSRWCTASJ-UTUOFQBUSA-N 2 1 265.357 -0.077 20 0 CBADMP COC[C@@H](C(N)=O)[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782379 584899477 /nfs/dbraw/zinc/89/94/77/584899477.db2.gz MCDLOKPHMGWCCX-MDZLAQPJSA-N 2 1 271.361 -0.813 20 0 CBADMP COC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782379 584899479 /nfs/dbraw/zinc/89/94/79/584899479.db2.gz MCDLOKPHMGWCCX-MDZLAQPJSA-N 2 1 271.361 -0.813 20 0 CBADMP O=C1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCCN1 ZINC000903782285 584899520 /nfs/dbraw/zinc/89/95/20/584899520.db2.gz JAZMJLBNPGHANY-LBPRGKRZSA-N 2 1 267.373 -0.033 20 0 CBADMP O=C1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCCN1 ZINC000903782285 584899522 /nfs/dbraw/zinc/89/95/22/584899522.db2.gz JAZMJLBNPGHANY-LBPRGKRZSA-N 2 1 267.373 -0.033 20 0 CBADMP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1(C[NH3+])CCOCC1 ZINC000903809994 584900540 /nfs/dbraw/zinc/90/05/40/584900540.db2.gz PPGSDPSHVAKULP-LBPRGKRZSA-N 3 1 269.389 -0.053 20 0 CBADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1(C[NH3+])CCOCC1 ZINC000903809994 584900541 /nfs/dbraw/zinc/90/05/41/584900541.db2.gz PPGSDPSHVAKULP-LBPRGKRZSA-N 3 1 269.389 -0.053 20 0 CBADMP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1(CN)CCOCC1 ZINC000903809994 584900542 /nfs/dbraw/zinc/90/05/42/584900542.db2.gz PPGSDPSHVAKULP-LBPRGKRZSA-N 2 1 269.389 -0.053 20 0 CBADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1(CN)CCOCC1 ZINC000903809994 584900543 /nfs/dbraw/zinc/90/05/43/584900543.db2.gz PPGSDPSHVAKULP-LBPRGKRZSA-N 2 1 269.389 -0.053 20 0 CBADMP OCC[C@H]1COCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903829167 584901164 /nfs/dbraw/zinc/90/11/64/584901164.db2.gz AZZMZSVLSHPZCA-RYUDHWBXSA-N 2 1 256.346 -0.409 20 0 CBADMP OCC[C@H]1COCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903829167 584901165 /nfs/dbraw/zinc/90/11/65/584901165.db2.gz AZZMZSVLSHPZCA-RYUDHWBXSA-N 2 1 256.346 -0.409 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000903843286 584901868 /nfs/dbraw/zinc/90/18/68/584901868.db2.gz HLCDENOTLGSBBN-XQQFMLRXSA-N 3 1 266.389 -0.380 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC(=O)N1CCNCC1)C2 ZINC000903843286 584901870 /nfs/dbraw/zinc/90/18/70/584901870.db2.gz HLCDENOTLGSBBN-XQQFMLRXSA-N 2 1 266.389 -0.380 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(=O)N1CCNCC1)C2 ZINC000903843286 584901872 /nfs/dbraw/zinc/90/18/72/584901872.db2.gz HLCDENOTLGSBBN-XQQFMLRXSA-N 2 1 266.389 -0.380 20 0 CBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857842 584902327 /nfs/dbraw/zinc/90/23/27/584902327.db2.gz WQTGSWYOGNWUNS-CABZTGNLSA-N 2 1 254.334 -0.355 20 0 CBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857842 584902328 /nfs/dbraw/zinc/90/23/28/584902328.db2.gz WQTGSWYOGNWUNS-CABZTGNLSA-N 2 1 254.334 -0.355 20 0 CBADMP CC[C@@H]1C(=O)NCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903883744 584903837 /nfs/dbraw/zinc/90/38/37/584903837.db2.gz YYWBRDKKNQGORC-VXGBXAGGSA-N 2 1 267.373 -0.035 20 0 CBADMP O=C1NC[C@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC000903896876 584904130 /nfs/dbraw/zinc/90/41/30/584904130.db2.gz ALUODARZYMUFTE-WVMKXHBISA-N 2 1 292.383 -0.840 20 0 CBADMP O=C(C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)NCC1CC1 ZINC000903926541 584904757 /nfs/dbraw/zinc/90/47/57/584904757.db2.gz LYZPEUDXTZYHBR-LBPRGKRZSA-N 2 1 292.387 -0.182 20 0 CBADMP CC(C)[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958593562 613894647 /nfs/dbraw/zinc/89/46/47/613894647.db2.gz AIDWFHDRESFDPV-OLZOCXBDSA-N 2 1 281.400 -0.101 20 0 CBADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000970143153 614326641 /nfs/dbraw/zinc/32/66/41/614326641.db2.gz SJIKYEIHSGIORG-LLVKDONJSA-N 2 1 293.371 -0.318 20 0 CBADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000959855751 614355437 /nfs/dbraw/zinc/35/54/37/614355437.db2.gz LBKCAHJGAKNSOO-RFQIPJPRSA-N 2 1 281.400 -0.102 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000959855751 614355439 /nfs/dbraw/zinc/35/54/39/614355439.db2.gz LBKCAHJGAKNSOO-RFQIPJPRSA-N 2 1 281.400 -0.102 20 0 CBADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000959855751 614355441 /nfs/dbraw/zinc/35/54/41/614355441.db2.gz LBKCAHJGAKNSOO-RFQIPJPRSA-N 2 1 281.400 -0.102 20 0 CBADMP CC1(C)C[N@H+](CCO)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000977622413 614661088 /nfs/dbraw/zinc/66/10/88/614661088.db2.gz MDKNMQFURJFATE-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000977622413 614661091 /nfs/dbraw/zinc/66/10/91/614661091.db2.gz MDKNMQFURJFATE-LBPRGKRZSA-N 2 1 269.389 -0.099 20 0 CBADMP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000983398036 615094326 /nfs/dbraw/zinc/09/43/26/615094326.db2.gz PLRUIPFDBAGXFN-IJLUTSLNSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000983398036 615094327 /nfs/dbraw/zinc/09/43/27/615094327.db2.gz PLRUIPFDBAGXFN-IJLUTSLNSA-N 2 1 255.362 -0.179 20 0 CBADMP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000970765101 615119264 /nfs/dbraw/zinc/11/92/64/615119264.db2.gz GJKBCWGOWSQZBD-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000970765101 615119266 /nfs/dbraw/zinc/11/92/66/615119266.db2.gz GJKBCWGOWSQZBD-NEPJUHHUSA-N 2 1 255.362 -0.083 20 0 CBADMP CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC000979403043 615130972 /nfs/dbraw/zinc/13/09/72/615130972.db2.gz ACPXERJZZXNNGC-ZIAGYGMSSA-N 2 1 299.415 -0.066 20 0 CBADMP CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)C1 ZINC000977614502 615171275 /nfs/dbraw/zinc/17/12/75/615171275.db2.gz LKURXRMLKNJWDY-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)CC2(C)C)C1 ZINC000977614502 615171276 /nfs/dbraw/zinc/17/12/76/615171276.db2.gz LKURXRMLKNJWDY-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)CC2(C)C)C1 ZINC000977614502 615171278 /nfs/dbraw/zinc/17/12/78/615171278.db2.gz LKURXRMLKNJWDY-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)C1 ZINC000977614502 615171279 /nfs/dbraw/zinc/17/12/79/615171279.db2.gz LKURXRMLKNJWDY-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000962661096 615184821 /nfs/dbraw/zinc/18/48/21/615184821.db2.gz DUWZGBDXZNGKFK-QNWHQSFQSA-N 2 1 267.373 -0.227 20 0 CBADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000962661096 615184822 /nfs/dbraw/zinc/18/48/22/615184822.db2.gz DUWZGBDXZNGKFK-QNWHQSFQSA-N 2 1 267.373 -0.227 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000962661096 615184823 /nfs/dbraw/zinc/18/48/23/615184823.db2.gz DUWZGBDXZNGKFK-QNWHQSFQSA-N 2 1 267.373 -0.227 20 0 CBADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000962661096 615184824 /nfs/dbraw/zinc/18/48/24/615184824.db2.gz DUWZGBDXZNGKFK-QNWHQSFQSA-N 2 1 267.373 -0.227 20 0 CBADMP 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 615585758 /nfs/dbraw/zinc/58/57/58/615585758.db2.gz MYHYCZKERVAZOE-YCGPCKTQSA-N 2 1 294.399 -0.752 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)CC[N@@H+]1C ZINC000959966731 615585759 /nfs/dbraw/zinc/58/57/59/615585759.db2.gz MYHYCZKERVAZOE-YCGPCKTQSA-N 2 1 294.399 -0.752 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)CC[N@H+]1C ZINC000959966731 615585760 /nfs/dbraw/zinc/58/57/60/615585760.db2.gz MYHYCZKERVAZOE-YCGPCKTQSA-N 2 1 294.399 -0.752 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC[NH+]1C ZINC000959966731 615585761 /nfs/dbraw/zinc/58/57/61/615585761.db2.gz MYHYCZKERVAZOE-YCGPCKTQSA-N 2 1 294.399 -0.752 20 0 CBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC[NH+]1C ZINC000959966731 615585762 /nfs/dbraw/zinc/58/57/62/615585762.db2.gz MYHYCZKERVAZOE-YCGPCKTQSA-N 2 1 294.399 -0.752 20 0 CBADMP CC[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405561 615615118 /nfs/dbraw/zinc/61/51/18/615615118.db2.gz KDXCGVYVWQLKOV-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1)C1CC1 ZINC000971687295 615987775 /nfs/dbraw/zinc/98/77/75/615987775.db2.gz XJXJCMWABDCCNN-AAEUAGOBSA-N 2 1 282.388 -0.655 20 0 CBADMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]CCO)C1)C1CCC1 ZINC000968922316 616045107 /nfs/dbraw/zinc/04/51/07/616045107.db2.gz WYNKQUGPZRZJJK-LLVKDONJSA-N 2 1 255.362 -0.347 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980477891 616053600 /nfs/dbraw/zinc/05/36/00/616053600.db2.gz KOGXJXBCXOAOKZ-CYBMUJFWSA-N 2 1 296.415 -0.120 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980477891 616053601 /nfs/dbraw/zinc/05/36/01/616053601.db2.gz KOGXJXBCXOAOKZ-CYBMUJFWSA-N 2 1 296.415 -0.120 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405837 616053743 /nfs/dbraw/zinc/05/37/43/616053743.db2.gz LABBLXMHBCNFJI-LLVKDONJSA-N 2 1 268.361 -0.900 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980405837 616053744 /nfs/dbraw/zinc/05/37/44/616053744.db2.gz LABBLXMHBCNFJI-LLVKDONJSA-N 2 1 268.361 -0.900 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCF)C[C@@H]2O)CC1 ZINC000958374317 616167036 /nfs/dbraw/zinc/16/70/36/616167036.db2.gz MCJAKGWPTVNJRS-OLZOCXBDSA-N 2 1 287.379 -0.293 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCF)C[C@@H]2O)CC1 ZINC000958374317 616167037 /nfs/dbraw/zinc/16/70/37/616167037.db2.gz MCJAKGWPTVNJRS-OLZOCXBDSA-N 2 1 287.379 -0.293 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCF)C[C@@H]2O)CC1 ZINC000958374323 616167062 /nfs/dbraw/zinc/16/70/62/616167062.db2.gz MCJAKGWPTVNJRS-STQMWFEESA-N 2 1 287.379 -0.293 20 0 CBADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCF)C[C@@H]2O)CC1 ZINC000958374323 616167063 /nfs/dbraw/zinc/16/70/63/616167063.db2.gz MCJAKGWPTVNJRS-STQMWFEESA-N 2 1 287.379 -0.293 20 0 CBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000978353824 616180329 /nfs/dbraw/zinc/18/03/29/616180329.db2.gz WOVYARWLERBDBO-YIYPIFLZSA-N 2 1 281.400 -0.243 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000978353824 616180330 /nfs/dbraw/zinc/18/03/30/616180330.db2.gz WOVYARWLERBDBO-YIYPIFLZSA-N 2 1 281.400 -0.243 20 0 CBADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000978353824 616180331 /nfs/dbraw/zinc/18/03/31/616180331.db2.gz WOVYARWLERBDBO-YIYPIFLZSA-N 2 1 281.400 -0.243 20 0 CBADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000948245755 616191179 /nfs/dbraw/zinc/19/11/79/616191179.db2.gz SMCDYEREIZTZAE-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC000948245755 616191180 /nfs/dbraw/zinc/19/11/80/616191180.db2.gz SMCDYEREIZTZAE-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC000948245755 616191181 /nfs/dbraw/zinc/19/11/81/616191181.db2.gz SMCDYEREIZTZAE-CHWSQXEVSA-N 2 1 296.415 -0.121 20 0 CBADMP Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000967923700 616192109 /nfs/dbraw/zinc/19/21/09/616192109.db2.gz BFKSMUKNHWTEAL-VXGBXAGGSA-N 2 1 292.387 -0.400 20 0 CBADMP Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000967923700 616192110 /nfs/dbraw/zinc/19/21/10/616192110.db2.gz BFKSMUKNHWTEAL-VXGBXAGGSA-N 2 1 292.387 -0.400 20 0 CBADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH+](CCO)CC1(C)C ZINC000972860819 616194576 /nfs/dbraw/zinc/19/45/76/616194576.db2.gz USVSJWKMVLAMDD-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH+](CCO)CC1(C)C ZINC000972860819 616194577 /nfs/dbraw/zinc/19/45/77/616194577.db2.gz USVSJWKMVLAMDD-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[N@H+](CCO)CC1(C)C ZINC000972860819 616194578 /nfs/dbraw/zinc/19/45/78/616194578.db2.gz USVSJWKMVLAMDD-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C ZINC000972860819 616194579 /nfs/dbraw/zinc/19/45/79/616194579.db2.gz USVSJWKMVLAMDD-NEPJUHHUSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(CC(N)=O)C2 ZINC000981666023 616209087 /nfs/dbraw/zinc/20/90/87/616209087.db2.gz JXUCBUKACNZYPW-LBPRGKRZSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC(N)=O)C2 ZINC000981666023 616209088 /nfs/dbraw/zinc/20/90/88/616209088.db2.gz JXUCBUKACNZYPW-LBPRGKRZSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC(N)=O)C2 ZINC000981666023 616209089 /nfs/dbraw/zinc/20/90/89/616209089.db2.gz JXUCBUKACNZYPW-LBPRGKRZSA-N 2 1 294.399 -0.510 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC000981666023 616209091 /nfs/dbraw/zinc/20/90/91/616209091.db2.gz JXUCBUKACNZYPW-LBPRGKRZSA-N 2 1 294.399 -0.510 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC000967926520 616209996 /nfs/dbraw/zinc/20/99/96/616209996.db2.gz XMOJCXGVLXEDRB-OLZOCXBDSA-N 2 1 294.399 -0.497 20 0 CBADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971204701 616210032 /nfs/dbraw/zinc/21/00/32/616210032.db2.gz NQVSLGDJJLACPJ-MNOVXSKESA-N 2 1 268.361 -0.901 20 0 CBADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971204701 616210033 /nfs/dbraw/zinc/21/00/33/616210033.db2.gz NQVSLGDJJLACPJ-MNOVXSKESA-N 2 1 268.361 -0.901 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000971204701 616210034 /nfs/dbraw/zinc/21/00/34/616210034.db2.gz NQVSLGDJJLACPJ-MNOVXSKESA-N 2 1 268.361 -0.901 20 0 CBADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000971204701 616210035 /nfs/dbraw/zinc/21/00/35/616210035.db2.gz NQVSLGDJJLACPJ-MNOVXSKESA-N 2 1 268.361 -0.901 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)CC1(C)C ZINC000972860822 616212331 /nfs/dbraw/zinc/21/23/31/616212331.db2.gz USVSJWKMVLAMDD-NWDGAFQWSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)CC1(C)C ZINC000972860822 616212332 /nfs/dbraw/zinc/21/23/32/616212332.db2.gz USVSJWKMVLAMDD-NWDGAFQWSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)CC1(C)C ZINC000972860822 616212333 /nfs/dbraw/zinc/21/23/33/616212333.db2.gz USVSJWKMVLAMDD-NWDGAFQWSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC000972860822 616212334 /nfs/dbraw/zinc/21/23/34/616212334.db2.gz USVSJWKMVLAMDD-NWDGAFQWSA-N 2 1 269.389 -0.101 20 0 CBADMP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980390209 616265002 /nfs/dbraw/zinc/26/50/02/616265002.db2.gz GAZIKMIFXNZVQT-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980390209 616265003 /nfs/dbraw/zinc/26/50/03/616265003.db2.gz GAZIKMIFXNZVQT-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980390209 616265004 /nfs/dbraw/zinc/26/50/04/616265004.db2.gz GAZIKMIFXNZVQT-VXGBXAGGSA-N 2 1 255.362 -0.537 20 0 CBADMP Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970711176 616265194 /nfs/dbraw/zinc/26/51/94/616265194.db2.gz BIRVCKHODSSXJZ-VXGBXAGGSA-N 2 1 292.387 -0.543 20 0 CBADMP Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970711176 616265195 /nfs/dbraw/zinc/26/51/95/616265195.db2.gz BIRVCKHODSSXJZ-VXGBXAGGSA-N 2 1 292.387 -0.543 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC000970712761 616265262 /nfs/dbraw/zinc/26/52/62/616265262.db2.gz RMZVBROKJHZKBX-CHWSQXEVSA-N 2 1 294.399 -0.639 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@]3(C2)CN(CCO)CCO3)C1 ZINC000972672886 616265660 /nfs/dbraw/zinc/26/56/60/616265660.db2.gz BPYTVVRRNFQRFE-HIFRSBDPSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(C2)C[NH+](CCO)CCO3)C1 ZINC000972672886 616265661 /nfs/dbraw/zinc/26/56/61/616265661.db2.gz BPYTVVRRNFQRFE-HIFRSBDPSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@]3(C2)C[NH+](CCO)CCO3)C1 ZINC000972672886 616265662 /nfs/dbraw/zinc/26/56/62/616265662.db2.gz BPYTVVRRNFQRFE-HIFRSBDPSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)C1 ZINC000972672886 616265663 /nfs/dbraw/zinc/26/56/63/616265663.db2.gz BPYTVVRRNFQRFE-HIFRSBDPSA-N 2 1 297.399 -0.766 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)C1 ZINC000972672886 616265664 /nfs/dbraw/zinc/26/56/64/616265664.db2.gz BPYTVVRRNFQRFE-HIFRSBDPSA-N 2 1 297.399 -0.766 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCO)C3)C1 ZINC000965915361 616265948 /nfs/dbraw/zinc/26/59/48/616265948.db2.gz HGVDPLRVWDYKMU-PEGDAGBESA-N 2 1 281.400 -0.053 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)CC2(C)C)C1 ZINC000941217234 616267032 /nfs/dbraw/zinc/26/70/32/616267032.db2.gz KUJORWGPQOFJGV-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)CC2(C)C)C1 ZINC000941217234 616267033 /nfs/dbraw/zinc/26/70/33/616267033.db2.gz KUJORWGPQOFJGV-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000941217234 616267034 /nfs/dbraw/zinc/26/70/34/616267034.db2.gz KUJORWGPQOFJGV-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000941217234 616267035 /nfs/dbraw/zinc/26/70/35/616267035.db2.gz KUJORWGPQOFJGV-VXGBXAGGSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000977452048 616269542 /nfs/dbraw/zinc/26/95/42/616269542.db2.gz KGPKTIRAAINPIR-RYUDHWBXSA-N 2 1 296.415 -0.360 20 0 CBADMP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCC[NH+](CC(N)=O)C3)C1 ZINC000982148369 616356881 /nfs/dbraw/zinc/35/68/81/616356881.db2.gz GCHIRQWGDWGVHW-LBPRGKRZSA-N 2 1 294.399 -0.652 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCC[NH+](CC(N)=O)C3)C1 ZINC000982148369 616356886 /nfs/dbraw/zinc/35/68/86/616356886.db2.gz GCHIRQWGDWGVHW-LBPRGKRZSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)C1 ZINC000982148369 616356888 /nfs/dbraw/zinc/35/68/88/616356888.db2.gz GCHIRQWGDWGVHW-LBPRGKRZSA-N 2 1 294.399 -0.652 20 0 CBADMP C[NH+]1CC[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)C1 ZINC000982148369 616356893 /nfs/dbraw/zinc/35/68/93/616356893.db2.gz GCHIRQWGDWGVHW-LBPRGKRZSA-N 2 1 294.399 -0.652 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000977599324 616379210 /nfs/dbraw/zinc/37/92/10/616379210.db2.gz LWPMEGJCCFOPAX-QWRGUYRKSA-N 2 1 282.388 -0.750 20 0 CBADMP C[N@@H+](CCO)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000972733791 616388417 /nfs/dbraw/zinc/38/84/17/616388417.db2.gz RZIBBHDTALQNHU-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972733791 616388421 /nfs/dbraw/zinc/38/84/21/616388421.db2.gz RZIBBHDTALQNHU-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[NH+](CCO)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972733791 616388424 /nfs/dbraw/zinc/38/84/24/616388424.db2.gz RZIBBHDTALQNHU-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979047150 616462638 /nfs/dbraw/zinc/46/26/38/616462638.db2.gz FCHKCKJXTPURMP-XDQVBPFNSA-N 2 1 281.400 -0.122 20 0 CBADMP COCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979047150 616462640 /nfs/dbraw/zinc/46/26/40/616462640.db2.gz FCHKCKJXTPURMP-XDQVBPFNSA-N 2 1 281.400 -0.122 20 0 CBADMP COCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979047150 616462642 /nfs/dbraw/zinc/46/26/42/616462642.db2.gz FCHKCKJXTPURMP-XDQVBPFNSA-N 2 1 281.400 -0.122 20 0 CBADMP COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977956519 616462931 /nfs/dbraw/zinc/46/29/31/616462931.db2.gz OVVWCNMRJNKSLC-FQUUOJAGSA-N 2 1 297.399 -0.743 20 0 CBADMP COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977956519 616462934 /nfs/dbraw/zinc/46/29/34/616462934.db2.gz OVVWCNMRJNKSLC-FQUUOJAGSA-N 2 1 297.399 -0.743 20 0 CBADMP COCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977956519 616462937 /nfs/dbraw/zinc/46/29/37/616462937.db2.gz OVVWCNMRJNKSLC-FQUUOJAGSA-N 2 1 297.399 -0.743 20 0 CBADMP COCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977956519 616462942 /nfs/dbraw/zinc/46/29/42/616462942.db2.gz OVVWCNMRJNKSLC-FQUUOJAGSA-N 2 1 297.399 -0.743 20 0 CBADMP C[NH+](C)C[C@H](N)C(=O)NCC[NH+]1CCSCC1 ZINC000702430128 656181303 /nfs/dbraw/zinc/18/13/03/656181303.db2.gz MPCZFYQVACQFCZ-JTQLQIEISA-N 2 1 260.407 -0.960 20 0 CBADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCOCCO ZINC000922108078 657993817 /nfs/dbraw/zinc/99/38/17/657993817.db2.gz BGJVKSJOWVOHEY-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CCOCCO ZINC000922108078 657993829 /nfs/dbraw/zinc/99/38/29/657993829.db2.gz BGJVKSJOWVOHEY-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CCOCCO ZINC000922108078 657993836 /nfs/dbraw/zinc/99/38/36/657993836.db2.gz BGJVKSJOWVOHEY-LBPRGKRZSA-N 2 1 273.377 -0.863 20 0 CBADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCOCCO ZINC000922108077 657995228 /nfs/dbraw/zinc/99/52/28/657995228.db2.gz BGJVKSJOWVOHEY-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CCOCCO ZINC000922108077 657995238 /nfs/dbraw/zinc/99/52/38/657995238.db2.gz BGJVKSJOWVOHEY-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CCOCCO ZINC000922108077 657995245 /nfs/dbraw/zinc/99/52/45/657995245.db2.gz BGJVKSJOWVOHEY-GFCCVEGCSA-N 2 1 273.377 -0.863 20 0 CBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H](Nc3ncccn3)C2)C1 ZINC000923384199 658246988 /nfs/dbraw/zinc/24/69/88/658246988.db2.gz CSDKQOMPTLDJAX-USZNOCQGSA-N 2 1 263.345 -0.187 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923378546 658247155 /nfs/dbraw/zinc/24/71/55/658247155.db2.gz FCNKTRAPRBTVOL-KGLIPLIRSA-N 2 1 271.405 -0.247 20 0 CBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)Nc1ccccn1 ZINC000923459452 658287558 /nfs/dbraw/zinc/28/75/58/658287558.db2.gz BLSVJAZXHBZSJV-UHFFFAOYSA-N 2 1 263.345 -0.485 20 0 CBADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000923485202 658303851 /nfs/dbraw/zinc/30/38/51/658303851.db2.gz GSSSANFDFRKTCF-LBPRGKRZSA-N 2 1 282.388 -0.604 20 0 CBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923482301 658304143 /nfs/dbraw/zinc/30/41/43/658304143.db2.gz YIIJBXIFDDABMI-LLVKDONJSA-N 2 1 263.407 -0.014 20 0 CBADMP C[C@H]1C[C@@H](NS(=O)(=O)C2C[NH2+]C2)C[N@H+]1C1CC1 ZINC000923623361 658357722 /nfs/dbraw/zinc/35/77/22/658357722.db2.gz AORXMUUAMFKFFO-DTWKUNHWSA-N 2 1 259.375 -0.497 20 0 CBADMP CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923622875 658357910 /nfs/dbraw/zinc/35/79/10/658357910.db2.gz SUZIVCHUGRTHTM-LLVKDONJSA-N 2 1 275.418 -0.048 20 0 CBADMP C[C@@H]1C[C@H](NS(=O)(=O)C2C[NH2+]C2)C[N@H+]1C1CC1 ZINC000923623360 658359761 /nfs/dbraw/zinc/35/97/61/658359761.db2.gz AORXMUUAMFKFFO-BDAKNGLRSA-N 2 1 259.375 -0.497 20 0 CBADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@@H+](C)CCO ZINC000925007507 658754520 /nfs/dbraw/zinc/75/45/20/658754520.db2.gz QEOMYEMFNZFURC-VXGBXAGGSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CCN(CCN[C@H]2C[NH2+]CCOC2)CC1(C)C ZINC000925663726 658864627 /nfs/dbraw/zinc/86/46/27/658864627.db2.gz XKERSXGXXCCBRI-ZDUSSCGKSA-N 2 1 270.421 -0.410 20 0 CBADMP OCCC[N@H+]1CCC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925678129 658864924 /nfs/dbraw/zinc/86/49/24/658864924.db2.gz CNERUWYWVVMZOE-QWHCGFSZSA-N 2 1 257.378 -0.589 20 0 CBADMP CC[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000925788880 658872204 /nfs/dbraw/zinc/87/22/04/658872204.db2.gz CWBYLKXCRKXYDB-AVGNSLFASA-N 2 1 289.445 -0.117 20 0 CBADMP COCC[N@@H+](C[C@H](O)CO)CC1CC[NH+](C)CC1 ZINC000931380288 659441783 /nfs/dbraw/zinc/44/17/83/659441783.db2.gz HWPKBWSRAGHQQD-ZDUSSCGKSA-N 2 1 260.378 -0.370 20 0 CBADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC000931437531 659461326 /nfs/dbraw/zinc/46/13/26/659461326.db2.gz RZRPGFPLQATBQN-OUAUKWLOSA-N 2 1 251.330 -0.325 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC000931437531 659461341 /nfs/dbraw/zinc/46/13/41/659461341.db2.gz RZRPGFPLQATBQN-OUAUKWLOSA-N 2 1 251.330 -0.325 20 0 CBADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC000931437531 659461349 /nfs/dbraw/zinc/46/13/49/659461349.db2.gz RZRPGFPLQATBQN-OUAUKWLOSA-N 2 1 251.330 -0.325 20 0 CBADMP CCOC(=O)CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439719 659464753 /nfs/dbraw/zinc/46/47/53/659464753.db2.gz RBESPVHAGJEYEF-QWHCGFSZSA-N 2 1 297.399 -0.109 20 0 CBADMP CCOC(=O)CN(C)C(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439719 659464755 /nfs/dbraw/zinc/46/47/55/659464755.db2.gz RBESPVHAGJEYEF-QWHCGFSZSA-N 2 1 297.399 -0.109 20 0 CBADMP CCOC(=O)CN(C)C(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439719 659464760 /nfs/dbraw/zinc/46/47/60/659464760.db2.gz RBESPVHAGJEYEF-QWHCGFSZSA-N 2 1 297.399 -0.109 20 0 CBADMP CCOC(=O)CN(C)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439719 659464767 /nfs/dbraw/zinc/46/47/67/659464767.db2.gz RBESPVHAGJEYEF-QWHCGFSZSA-N 2 1 297.399 -0.109 20 0 CBADMP CN(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436637 659466538 /nfs/dbraw/zinc/46/65/38/659466538.db2.gz JOQDNQKNWVVJHN-NWDGAFQWSA-N 2 1 275.418 -0.239 20 0 CBADMP CN(C)S(=O)(=O)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436637 659466563 /nfs/dbraw/zinc/46/65/63/659466563.db2.gz JOQDNQKNWVVJHN-NWDGAFQWSA-N 2 1 275.418 -0.239 20 0 CBADMP CN(C)S(=O)(=O)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436637 659466595 /nfs/dbraw/zinc/46/65/95/659466595.db2.gz JOQDNQKNWVVJHN-NWDGAFQWSA-N 2 1 275.418 -0.239 20 0 CBADMP CN(C)S(=O)(=O)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436637 659466625 /nfs/dbraw/zinc/46/66/25/659466625.db2.gz JOQDNQKNWVVJHN-NWDGAFQWSA-N 2 1 275.418 -0.239 20 0 CBADMP CC1(C)CN(C(=O)CC[NH+]2CCOCC2)CC[NH2+]1 ZINC000062625915 656033811 /nfs/dbraw/zinc/03/38/11/656033811.db2.gz BUSVSXPQOAUEIC-UHFFFAOYSA-N 2 1 255.362 -0.081 20 0 CBADMP O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668054 656058967 /nfs/dbraw/zinc/05/89/67/656058967.db2.gz YGXYLVYDNANMPE-XQQFMLRXSA-N 2 1 267.373 -0.035 20 0 CBADMP CC(=O)N1CCN(C(=O)C[N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091847514 656059079 /nfs/dbraw/zinc/05/90/79/656059079.db2.gz MOOSKUWOHLNMDI-UHFFFAOYSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000121003710 656067061 /nfs/dbraw/zinc/06/70/61/656067061.db2.gz JUMZTLHQIGKSPD-NSHDSACASA-N 2 1 268.361 -0.854 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000121003710 656067063 /nfs/dbraw/zinc/06/70/63/656067063.db2.gz JUMZTLHQIGKSPD-NSHDSACASA-N 2 1 268.361 -0.854 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000163226991 656079370 /nfs/dbraw/zinc/07/93/70/656079370.db2.gz QDKNANADYSKTHU-UTUOFQBUSA-N 2 1 255.362 -0.097 20 0 CBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000163226991 656079373 /nfs/dbraw/zinc/07/93/73/656079373.db2.gz QDKNANADYSKTHU-UTUOFQBUSA-N 2 1 255.362 -0.097 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000225355604 656105519 /nfs/dbraw/zinc/10/55/19/656105519.db2.gz ZRRMCZBIYWIJON-UPJWGTAASA-N 2 1 268.405 -0.134 20 0 CBADMP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000227127318 656108290 /nfs/dbraw/zinc/10/82/90/656108290.db2.gz VUEVZLIZBRUTGQ-RYUDHWBXSA-N 2 1 267.373 -0.035 20 0 CBADMP Cc1[nH+]ccn1CCCC(=O)NCCN1CC[NH2+]CC1 ZINC000237621388 656117155 /nfs/dbraw/zinc/11/71/55/656117155.db2.gz ILXSDQZOCNBEHD-UHFFFAOYSA-N 2 1 279.388 -0.007 20 0 CBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250572382 656121973 /nfs/dbraw/zinc/12/19/73/656121973.db2.gz LHHYPMLCHVAIAG-OBJOEFQTSA-N 2 1 296.415 -0.171 20 0 CBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000250374321 656122143 /nfs/dbraw/zinc/12/21/43/656122143.db2.gz JSLVLEFFWBPRQF-RYUDHWBXSA-N 2 1 254.378 -0.524 20 0 CBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cnccn1 ZINC000262182089 656129434 /nfs/dbraw/zinc/12/94/34/656129434.db2.gz RATYFINSIBNPMS-UHFFFAOYSA-N 2 1 263.345 -0.270 20 0 CBADMP CC(=O)NC[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262274130 656130044 /nfs/dbraw/zinc/13/00/44/656130044.db2.gz YQTCMZNKFMJBIU-CQSZACIVSA-N 2 1 296.415 -0.344 20 0 CBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000262436294 656132471 /nfs/dbraw/zinc/13/24/71/656132471.db2.gz TWAJRNNHJUJPNT-NSHDSACASA-N 2 1 270.377 -0.558 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000311016205 656144846 /nfs/dbraw/zinc/14/48/46/656144846.db2.gz KUJUDAKTQPRHEE-XQQFMLRXSA-N 2 1 259.394 -0.263 20 0 CBADMP CN1CC[NH+](CCCNC(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000311855238 656146203 /nfs/dbraw/zinc/14/62/03/656146203.db2.gz POEYJYUIEUWMOQ-CYBMUJFWSA-N 2 1 268.405 -0.133 20 0 CBADMP CNC(=O)c1ccc(NCC[NH+]2CCC([NH3+])CC2)nn1 ZINC000321151458 656148093 /nfs/dbraw/zinc/14/80/93/656148093.db2.gz GIUFIIHXEHXMLX-UHFFFAOYSA-N 2 1 278.360 -0.329 20 0 CBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCCN1CCOCC1 ZINC000328355978 656148587 /nfs/dbraw/zinc/14/85/87/656148587.db2.gz OEOGVKDZIAHHOG-NEPJUHHUSA-N 2 1 271.361 -0.798 20 0 CBADMP CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000703166982 656183025 /nfs/dbraw/zinc/18/30/25/656183025.db2.gz KACSOCHRFDVCFB-NWDGAFQWSA-N 2 1 275.418 0.000 20 0 CBADMP CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000703166982 656183026 /nfs/dbraw/zinc/18/30/26/656183026.db2.gz KACSOCHRFDVCFB-NWDGAFQWSA-N 2 1 275.418 0.000 20 0 CBADMP C[C@]1(CO)C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@]1(C)CO ZINC000704410408 656184347 /nfs/dbraw/zinc/18/43/47/656184347.db2.gz BFHIWNATFRCZOM-SOUVJXGZSA-N 2 1 286.416 -0.244 20 0 CBADMP C[C@]1(CO)C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@]1(C)CO ZINC000704410408 656184348 /nfs/dbraw/zinc/18/43/48/656184348.db2.gz BFHIWNATFRCZOM-SOUVJXGZSA-N 2 1 286.416 -0.244 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH2+]C[C@H]1C(C)C ZINC000704595592 656184428 /nfs/dbraw/zinc/18/44/28/656184428.db2.gz NKFKHOFVCWNYRW-KGLIPLIRSA-N 2 1 273.421 -0.145 20 0 CBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H](N)C[NH+](C)C ZINC000705179168 656185014 /nfs/dbraw/zinc/18/50/14/656185014.db2.gz SXSCPSPPMFXVGX-RYUDHWBXSA-N 2 1 256.394 -0.325 20 0 CBADMP C[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1C[NH3+] ZINC000708875258 656195322 /nfs/dbraw/zinc/19/53/22/656195322.db2.gz AGOFEWMAZVGAGW-GHMZBOCLSA-N 2 1 261.391 -0.452 20 0 CBADMP C[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1C[NH3+] ZINC000708875258 656195324 /nfs/dbraw/zinc/19/53/24/656195324.db2.gz AGOFEWMAZVGAGW-GHMZBOCLSA-N 2 1 261.391 -0.452 20 0 CBADMP O=C(CCC1C[NH2+]C1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000709443188 656195779 /nfs/dbraw/zinc/19/57/79/656195779.db2.gz CDWPVGJZHNEUMB-CHWSQXEVSA-N 2 1 267.373 -0.035 20 0 CBADMP COC[C@@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[NH2+]CCO1 ZINC000710741574 656200778 /nfs/dbraw/zinc/20/07/78/656200778.db2.gz HTNJLUDIZXSLOR-SMDDNHRTSA-N 2 1 283.372 -0.656 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000710782143 656201215 /nfs/dbraw/zinc/20/12/15/656201215.db2.gz GTJIPLRVTROCDB-JSGCOSHPSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@@H+](CCCCCC[NH3+])CCN1C(=O)CNC1=O ZINC000710782681 656201694 /nfs/dbraw/zinc/20/16/94/656201694.db2.gz WERRYIMBSJXIOC-UHFFFAOYSA-N 2 1 256.350 -0.011 20 0 CBADMP CC[N@@H+](CCNC(=O)[C@]1(COC)C[NH2+]CCO1)C1CC1 ZINC000710783032 656201798 /nfs/dbraw/zinc/20/17/98/656201798.db2.gz KKYXYSPSUACAAO-CQSZACIVSA-N 2 1 285.388 -0.408 20 0 CBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000710782141 656202139 /nfs/dbraw/zinc/20/21/39/656202139.db2.gz GTJIPLRVTROCDB-GXTWGEPZSA-N 2 1 285.388 -0.551 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCC[NH3+])CCC1(C)C ZINC000712688923 656211635 /nfs/dbraw/zinc/21/16/35/656211635.db2.gz LITPWORZUPWMDY-UHFFFAOYSA-N 2 1 256.350 -0.996 20 0 CBADMP COCC[N@@H+](C)CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713204962 656211750 /nfs/dbraw/zinc/21/17/50/656211750.db2.gz HSUJTDDTTAKXQK-MDZLAQPJSA-N 2 1 255.362 -0.192 20 0 CBADMP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000713207064 656212172 /nfs/dbraw/zinc/21/21/72/656212172.db2.gz MFSWCCPXWLEIAW-OUCADQQQSA-N 2 1 267.373 -0.048 20 0 CBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000715032530 656217822 /nfs/dbraw/zinc/21/78/22/656217822.db2.gz DJVINRWSYPGKAR-KKUMJFAQSA-N 2 1 285.432 -0.001 20 0 CBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884797757 656255773 /nfs/dbraw/zinc/25/57/73/656255773.db2.gz XAEHUHAMVBTOOI-TUAOUCFPSA-N 2 1 282.388 -0.737 20 0 CBADMP C[N@@H+]1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1(C)C ZINC000885193228 656259999 /nfs/dbraw/zinc/25/99/99/656259999.db2.gz ROKDNTIYJGYOOF-UHFFFAOYSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@H+]1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1(C)C ZINC000885193228 656260004 /nfs/dbraw/zinc/26/00/04/656260004.db2.gz ROKDNTIYJGYOOF-UHFFFAOYSA-N 2 1 284.404 -0.217 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000896618772 656290891 /nfs/dbraw/zinc/29/08/91/656290891.db2.gz FPIQEMHCCGJACT-NSHDSACASA-N 2 1 270.377 -0.554 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000896618794 656291513 /nfs/dbraw/zinc/29/15/13/656291513.db2.gz GBHAYDOEPVTMOJ-TUAOUCFPSA-N 2 1 252.362 -0.107 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000896618794 656291516 /nfs/dbraw/zinc/29/15/16/656291516.db2.gz GBHAYDOEPVTMOJ-TUAOUCFPSA-N 2 1 252.362 -0.107 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000896618794 656291520 /nfs/dbraw/zinc/29/15/20/656291520.db2.gz GBHAYDOEPVTMOJ-TUAOUCFPSA-N 2 1 252.362 -0.107 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000896618793 656291676 /nfs/dbraw/zinc/29/16/76/656291676.db2.gz GBHAYDOEPVTMOJ-GRYCIOLGSA-N 2 1 252.362 -0.107 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000896618793 656291684 /nfs/dbraw/zinc/29/16/84/656291684.db2.gz GBHAYDOEPVTMOJ-GRYCIOLGSA-N 2 1 252.362 -0.107 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000896618793 656291688 /nfs/dbraw/zinc/29/16/88/656291688.db2.gz GBHAYDOEPVTMOJ-GRYCIOLGSA-N 2 1 252.362 -0.107 20 0 CBADMP C[C@H]1CC[NH+](CCNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000897465849 656293575 /nfs/dbraw/zinc/29/35/75/656293575.db2.gz JEIPQRKVTYRTSF-MELADBBJSA-N 2 1 296.415 -0.211 20 0 CBADMP C[C@H]1CC[NH+](CCNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000897465849 656293577 /nfs/dbraw/zinc/29/35/77/656293577.db2.gz JEIPQRKVTYRTSF-MELADBBJSA-N 2 1 296.415 -0.211 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000897764838 656295013 /nfs/dbraw/zinc/29/50/13/656295013.db2.gz PXTKDCGEILYRSD-QWHCGFSZSA-N 2 1 269.389 -0.099 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000900371996 656307159 /nfs/dbraw/zinc/30/71/59/656307159.db2.gz MLVHTMKFWVGSTI-SUHUHFCYSA-N 2 1 267.373 -0.206 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000900371996 656307163 /nfs/dbraw/zinc/30/71/63/656307163.db2.gz MLVHTMKFWVGSTI-SUHUHFCYSA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000900371996 656307166 /nfs/dbraw/zinc/30/71/66/656307166.db2.gz MLVHTMKFWVGSTI-SUHUHFCYSA-N 2 1 267.373 -0.206 20 0 CBADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000900371996 656307168 /nfs/dbraw/zinc/30/71/68/656307168.db2.gz MLVHTMKFWVGSTI-SUHUHFCYSA-N 2 1 267.373 -0.206 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000900836995 656312231 /nfs/dbraw/zinc/31/22/31/656312231.db2.gz XWOJZCCYXXGJOK-GXTWGEPZSA-N 2 1 287.404 -0.474 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900836995 656312234 /nfs/dbraw/zinc/31/22/34/656312234.db2.gz XWOJZCCYXXGJOK-GXTWGEPZSA-N 2 1 287.404 -0.474 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900836995 656312236 /nfs/dbraw/zinc/31/22/36/656312236.db2.gz XWOJZCCYXXGJOK-GXTWGEPZSA-N 2 1 287.404 -0.474 20 0 CBADMP COCCC[N@@H+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000900836998 656312385 /nfs/dbraw/zinc/31/23/85/656312385.db2.gz XWOJZCCYXXGJOK-TZMCWYRMSA-N 2 1 287.404 -0.474 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900836998 656312387 /nfs/dbraw/zinc/31/23/87/656312387.db2.gz XWOJZCCYXXGJOK-TZMCWYRMSA-N 2 1 287.404 -0.474 20 0 CBADMP COCCC[NH+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900836998 656312391 /nfs/dbraw/zinc/31/23/91/656312391.db2.gz XWOJZCCYXXGJOK-TZMCWYRMSA-N 2 1 287.404 -0.474 20 0 CBADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000904299538 656324341 /nfs/dbraw/zinc/32/43/41/656324341.db2.gz HDNLWHNIIOXQDA-MELADBBJSA-N 3 1 280.416 -0.133 20 0 CBADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)C1 ZINC000904299538 656324348 /nfs/dbraw/zinc/32/43/48/656324348.db2.gz HDNLWHNIIOXQDA-MELADBBJSA-N 2 1 280.416 -0.133 20 0 CBADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)C1 ZINC000904299538 656324352 /nfs/dbraw/zinc/32/43/52/656324352.db2.gz HDNLWHNIIOXQDA-MELADBBJSA-N 2 1 280.416 -0.133 20 0 CBADMP C[C@@]1(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)CCC[NH2+]C1 ZINC000904367867 656324879 /nfs/dbraw/zinc/32/48/79/656324879.db2.gz FMWRTAJAVSNXQS-SGMGOOAPSA-N 2 1 267.373 -0.035 20 0 CBADMP C[C@@]1(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)CCC[NH2+]C1 ZINC000904367867 656324883 /nfs/dbraw/zinc/32/48/83/656324883.db2.gz FMWRTAJAVSNXQS-SGMGOOAPSA-N 2 1 267.373 -0.035 20 0 CBADMP CNC(=O)NC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904380967 656325757 /nfs/dbraw/zinc/32/57/57/656325757.db2.gz QUFWVGXOMKGFMB-OUAUKWLOSA-N 2 1 256.350 -0.647 20 0 CBADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000904420453 656326600 /nfs/dbraw/zinc/32/66/00/656326600.db2.gz OZARZRXPDXTKMA-HZSPNIEDSA-N 3 1 280.416 -0.275 20 0 CBADMP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2CNOC2)cnn1C ZINC000904423613 656327001 /nfs/dbraw/zinc/32/70/01/656327001.db2.gz DXJCARLMXXDXSO-PWSUYJOCSA-N 2 1 253.350 -0.661 20 0 CBADMP CC1(C)C[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904461415 656327696 /nfs/dbraw/zinc/32/76/96/656327696.db2.gz JJTCDEGSWXZNAB-NWDGAFQWSA-N 3 1 268.405 -0.229 20 0 CBADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)C[C@]2(C)C1 ZINC000904961967 656331092 /nfs/dbraw/zinc/33/10/92/656331092.db2.gz YCMPIYWUQGRRJU-ZOWXZIJZSA-N 2 1 294.399 -0.796 20 0 CBADMP CN(CCC[NH3+])C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000904991419 656331828 /nfs/dbraw/zinc/33/18/28/656331828.db2.gz VQGHSYFATORWPK-SMDDNHRTSA-N 2 1 282.388 -0.796 20 0 CBADMP O[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1(O)CCOCC1 ZINC000905060962 656336333 /nfs/dbraw/zinc/33/63/33/656336333.db2.gz ZMVJSXYIAMQCIF-TZMCWYRMSA-N 2 1 284.400 -0.037 20 0 CBADMP CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000905295120 656348919 /nfs/dbraw/zinc/34/89/19/656348919.db2.gz PBQFIAWACFFFJJ-TXEJJXNPSA-N 2 1 280.372 -0.840 20 0 CBADMP CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000905295120 656348922 /nfs/dbraw/zinc/34/89/22/656348922.db2.gz PBQFIAWACFFFJJ-TXEJJXNPSA-N 2 1 280.372 -0.840 20 0 CBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000905355055 656352451 /nfs/dbraw/zinc/35/24/51/656352451.db2.gz RJEUECDWNVTWIL-IHRRRGAJSA-N 2 1 268.357 -0.359 20 0 CBADMP O=C1NCCN1CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905481945 656359561 /nfs/dbraw/zinc/35/95/61/656359561.db2.gz ORJYIACOBRTTCJ-LLVKDONJSA-N 2 1 256.350 -0.942 20 0 CBADMP C[NH+]1CCN(c2ncc(CNC3CC([NH3+])C3)cn2)CC1 ZINC000906509231 656389577 /nfs/dbraw/zinc/38/95/77/656389577.db2.gz BKLSMDUUGNNCKH-UHFFFAOYSA-N 2 1 276.388 -0.192 20 0 CBADMP COCC[N@H+]1CC[C@@H](NC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906618015 656394425 /nfs/dbraw/zinc/39/44/25/656394425.db2.gz HEUBXKZTZIPTMG-CQSZACIVSA-N 2 1 298.431 -0.683 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906618015 656394427 /nfs/dbraw/zinc/39/44/27/656394427.db2.gz HEUBXKZTZIPTMG-CQSZACIVSA-N 2 1 298.431 -0.683 20 0 CBADMP COCC[NH+]1CC[C@@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906618015 656394430 /nfs/dbraw/zinc/39/44/30/656394430.db2.gz HEUBXKZTZIPTMG-CQSZACIVSA-N 2 1 298.431 -0.683 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996302072 656407729 /nfs/dbraw/zinc/40/77/29/656407729.db2.gz VZHKZFDLYIOUEA-NEPJUHHUSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(N)=O ZINC000996602530 656447187 /nfs/dbraw/zinc/44/71/87/656447187.db2.gz JVUQXXWNHPBSHM-NQBHXWOUSA-N 2 1 296.415 -0.219 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996627168 656447516 /nfs/dbraw/zinc/44/75/16/656447516.db2.gz WZECBBAKGFPNJE-LLVKDONJSA-N 2 1 293.371 -0.497 20 0 CBADMP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1)C(N)=O ZINC000996667031 656451543 /nfs/dbraw/zinc/45/15/43/656451543.db2.gz VYUQCQQMGJWPAP-LLVKDONJSA-N 2 1 296.415 -0.075 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996799578 656456979 /nfs/dbraw/zinc/45/69/79/656456979.db2.gz WNVGTHJVFLYOFF-UHFFFAOYSA-N 2 1 279.344 -0.743 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CCO)CC1 ZINC000997010291 656463252 /nfs/dbraw/zinc/46/32/52/656463252.db2.gz RGGCLMVWXSDNOX-YPMHNXCESA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]([NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1)C(N)=O ZINC000996997084 656463695 /nfs/dbraw/zinc/46/36/95/656463695.db2.gz DZBGAFPVZDGQMJ-VXGBXAGGSA-N 2 1 296.415 -0.075 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CCO)CC1 ZINC000997009933 656463858 /nfs/dbraw/zinc/46/38/58/656463858.db2.gz RGGCLMVWXSDNOX-DGCLKSJQSA-N 2 1 269.389 -0.243 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997012819 656463864 /nfs/dbraw/zinc/46/38/64/656463864.db2.gz YJSLSBPKFGUCLA-PWSUYJOCSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC000997299604 656471987 /nfs/dbraw/zinc/47/19/87/656471987.db2.gz PYDUPEKIBMPOCR-GHMZBOCLSA-N 2 1 282.388 -0.608 20 0 CBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000997342117 656473958 /nfs/dbraw/zinc/47/39/58/656473958.db2.gz LFOGDVSRHINFCN-CYBMUJFWSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000997342117 656473960 /nfs/dbraw/zinc/47/39/60/656473960.db2.gz LFOGDVSRHINFCN-CYBMUJFWSA-N 2 1 285.388 -0.720 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997368929 656474589 /nfs/dbraw/zinc/47/45/89/656474589.db2.gz XFCJTPDODPROBO-ZDUSSCGKSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@@H+](CCO)CCNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000907441209 656507123 /nfs/dbraw/zinc/50/71/23/656507123.db2.gz VYXGGJWIYFVPAM-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907441209 656507131 /nfs/dbraw/zinc/50/71/31/656507131.db2.gz VYXGGJWIYFVPAM-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP CC[NH+](CCO)CCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000907441209 656507135 /nfs/dbraw/zinc/50/71/35/656507135.db2.gz VYXGGJWIYFVPAM-AWEZNQCLSA-N 2 1 287.404 -0.736 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC000998734587 656577076 /nfs/dbraw/zinc/57/70/76/656577076.db2.gz XPIIYTGMGFJYDE-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000907805513 656583399 /nfs/dbraw/zinc/58/33/99/656583399.db2.gz SDYDBWALBHZWSZ-OPDFLTKYSA-N 2 1 267.373 -0.539 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)C[C@H]2C1 ZINC000907805513 656583415 /nfs/dbraw/zinc/58/34/15/656583415.db2.gz SDYDBWALBHZWSZ-OPDFLTKYSA-N 2 1 267.373 -0.539 20 0 CBADMP C[NH+]1C[C@H]2CN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)C[C@H]2C1 ZINC000907805513 656583430 /nfs/dbraw/zinc/58/34/30/656583430.db2.gz SDYDBWALBHZWSZ-OPDFLTKYSA-N 2 1 267.373 -0.539 20 0 CBADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCF)C2)C1 ZINC000998826599 656586982 /nfs/dbraw/zinc/58/69/82/656586982.db2.gz PJXGYMGXORLZFE-NEPJUHHUSA-N 2 1 273.352 -0.133 20 0 CBADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCF)C2)C1 ZINC000998826599 656586991 /nfs/dbraw/zinc/58/69/91/656586991.db2.gz PJXGYMGXORLZFE-NEPJUHHUSA-N 2 1 273.352 -0.133 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCF)C2)C1 ZINC000998826601 656589289 /nfs/dbraw/zinc/58/92/89/656589289.db2.gz PJXGYMGXORLZFE-NWDGAFQWSA-N 2 1 273.352 -0.133 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCF)C2)C1 ZINC000998826601 656589299 /nfs/dbraw/zinc/58/92/99/656589299.db2.gz PJXGYMGXORLZFE-NWDGAFQWSA-N 2 1 273.352 -0.133 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CCO)C2)O1 ZINC000998984352 656600155 /nfs/dbraw/zinc/60/01/55/656600155.db2.gz SNRKZQQCLGCDNG-IKWCTNDRSA-N 2 1 285.388 -0.723 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CCO)C2)O1 ZINC000998984352 656600160 /nfs/dbraw/zinc/60/01/60/656600160.db2.gz SNRKZQQCLGCDNG-IKWCTNDRSA-N 2 1 285.388 -0.723 20 0 CBADMP CN1CC[N@H+](C)CC(C(=O)NOC2CC[NH+](C)CC2)C1 ZINC000908030662 656627985 /nfs/dbraw/zinc/62/79/85/656627985.db2.gz ZVPATADPAZFBFJ-UHFFFAOYSA-N 2 1 284.404 -0.378 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)NOC2CC[NH+](C)CC2)C1 ZINC000908030662 656627986 /nfs/dbraw/zinc/62/79/86/656627986.db2.gz ZVPATADPAZFBFJ-UHFFFAOYSA-N 2 1 284.404 -0.378 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]CC(N)=O)C2)C1 ZINC000999409824 656628179 /nfs/dbraw/zinc/62/81/79/656628179.db2.gz TUGXBGNAQWPNGI-VOMCLLRMSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999404114 656628245 /nfs/dbraw/zinc/62/82/45/656628245.db2.gz ZELNDKUAQNQACI-CHWSQXEVSA-N 2 1 296.415 -0.073 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999722658 656648209 /nfs/dbraw/zinc/64/82/09/656648209.db2.gz CDWKEBWFDFYKFE-LBPRGKRZSA-N 2 1 266.345 -0.236 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCc2cncn2C1 ZINC000908134092 656653522 /nfs/dbraw/zinc/65/35/22/656653522.db2.gz MYSWJPWYRQEDLP-ZKYQVNSYSA-N 2 1 278.356 -0.231 20 0 CBADMP CN1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCc2cncn2C1 ZINC000908134092 656653527 /nfs/dbraw/zinc/65/35/27/656653527.db2.gz MYSWJPWYRQEDLP-ZKYQVNSYSA-N 2 1 278.356 -0.231 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000999835109 656654454 /nfs/dbraw/zinc/65/44/54/656654454.db2.gz FFTMZYRBCZUVMB-UHFFFAOYSA-N 2 1 279.344 -0.744 20 0 CBADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]CCO)C1 ZINC000999831921 656654968 /nfs/dbraw/zinc/65/49/68/656654968.db2.gz NVUJSDBEIGJMSS-UNXYVOJBSA-N 2 1 255.362 -0.491 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000908201954 656667624 /nfs/dbraw/zinc/66/76/24/656667624.db2.gz NNMPTVDLKCZYEE-AGIUHOORSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908201954 656667631 /nfs/dbraw/zinc/66/76/31/656667631.db2.gz NNMPTVDLKCZYEE-AGIUHOORSA-N 2 1 267.373 -0.252 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000908201954 656667635 /nfs/dbraw/zinc/66/76/35/656667635.db2.gz NNMPTVDLKCZYEE-AGIUHOORSA-N 2 1 267.373 -0.252 20 0 CBADMP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000908205306 656671267 /nfs/dbraw/zinc/67/12/67/656671267.db2.gz NLMJLKQMVJKQAL-UKRRQHHQSA-N 2 1 299.415 -0.594 20 0 CBADMP CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H]3C[NH+](C)CC[C@@H]3C2)C1 ZINC000908289604 656688830 /nfs/dbraw/zinc/68/88/30/656688830.db2.gz LGISKYHKQIYVGZ-KGLIPLIRSA-N 2 1 294.443 -0.110 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)C1 ZINC000908289604 656688836 /nfs/dbraw/zinc/68/88/36/656688836.db2.gz LGISKYHKQIYVGZ-KGLIPLIRSA-N 2 1 294.443 -0.110 20 0 CBADMP CN1CC[NH+](C)CC(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)C1 ZINC000908289604 656688841 /nfs/dbraw/zinc/68/88/41/656688841.db2.gz LGISKYHKQIYVGZ-KGLIPLIRSA-N 2 1 294.443 -0.110 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001000191605 656701065 /nfs/dbraw/zinc/70/10/65/656701065.db2.gz JXPBTDSJUSMWFM-RYUDHWBXSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)C[NH+](C)C ZINC000908345622 656708489 /nfs/dbraw/zinc/70/84/89/656708489.db2.gz JMVLCAAHGJJIEO-NQBHXWOUSA-N 2 1 257.378 -0.245 20 0 CBADMP CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001000520000 656732955 /nfs/dbraw/zinc/73/29/55/656732955.db2.gz BFYZBEDQNWLRCR-CYBMUJFWSA-N 2 1 294.399 -0.425 20 0 CBADMP CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001000520000 656732962 /nfs/dbraw/zinc/73/29/62/656732962.db2.gz BFYZBEDQNWLRCR-CYBMUJFWSA-N 2 1 294.399 -0.425 20 0 CBADMP CNC(=O)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001000520000 656732971 /nfs/dbraw/zinc/73/29/71/656732971.db2.gz BFYZBEDQNWLRCR-CYBMUJFWSA-N 2 1 294.399 -0.425 20 0 CBADMP CNC(=O)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001000520000 656732979 /nfs/dbraw/zinc/73/29/79/656732979.db2.gz BFYZBEDQNWLRCR-CYBMUJFWSA-N 2 1 294.399 -0.425 20 0 CBADMP CN1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000908539883 656746011 /nfs/dbraw/zinc/74/60/11/656746011.db2.gz DIAHUNXZCWGVDB-UMVBOHGHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000908539883 656746013 /nfs/dbraw/zinc/74/60/13/656746013.db2.gz DIAHUNXZCWGVDB-UMVBOHGHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000908539883 656746016 /nfs/dbraw/zinc/74/60/16/656746016.db2.gz DIAHUNXZCWGVDB-UMVBOHGHSA-N 2 1 299.415 -0.596 20 0 CBADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000908539883 656746018 /nfs/dbraw/zinc/74/60/18/656746018.db2.gz DIAHUNXZCWGVDB-UMVBOHGHSA-N 2 1 299.415 -0.596 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001000919832 656773523 /nfs/dbraw/zinc/77/35/23/656773523.db2.gz NHBWKDZORNQCIR-CMPLNLGQSA-N 2 1 293.371 -0.354 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000917764 656773721 /nfs/dbraw/zinc/77/37/21/656773721.db2.gz MHPROOIBWHSXPB-MNOVXSKESA-N 2 1 268.361 -0.996 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000917768 656774571 /nfs/dbraw/zinc/77/45/71/656774571.db2.gz MHPROOIBWHSXPB-QWRGUYRKSA-N 2 1 268.361 -0.996 20 0 CBADMP 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 656784877 /nfs/dbraw/zinc/78/48/77/656784877.db2.gz OOADWPXKVBDQAA-JLDUMIBSSA-N 2 1 267.373 -0.540 20 0 CBADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001001007438 656785775 /nfs/dbraw/zinc/78/57/75/656785775.db2.gz KMYIJFGCAWWGRX-OLZOCXBDSA-N 2 1 296.415 -0.073 20 0 CBADMP C[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001001262119 656805638 /nfs/dbraw/zinc/80/56/38/656805638.db2.gz BMIFDBSHAIUPON-AAEUAGOBSA-N 2 1 296.415 -0.217 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NCC2=CC[NH+](CCO)CC2)C1 ZINC001001450720 656811512 /nfs/dbraw/zinc/81/15/12/656811512.db2.gz NHRYRTRBUXKLHD-ZDUSSCGKSA-N 2 1 267.373 -0.321 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC2=CC[N@H+](CCO)CC2)C1 ZINC001001450720 656811513 /nfs/dbraw/zinc/81/15/13/656811513.db2.gz NHRYRTRBUXKLHD-ZDUSSCGKSA-N 2 1 267.373 -0.321 20 0 CBADMP C[NH+]1CC[C@H](C(=O)NCC2=CC[N@@H+](CCO)CC2)C1 ZINC001001450720 656811516 /nfs/dbraw/zinc/81/15/16/656811516.db2.gz NHRYRTRBUXKLHD-ZDUSSCGKSA-N 2 1 267.373 -0.321 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NCC2=CC[NH+](CC(N)=O)CC2)C1 ZINC001001453062 656811873 /nfs/dbraw/zinc/81/18/73/656811873.db2.gz SZSNWGVXVUUINC-GFCCVEGCSA-N 2 1 280.372 -0.828 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2=CC[NH+](CC(N)=O)CC2)C1 ZINC001001453062 656811874 /nfs/dbraw/zinc/81/18/74/656811874.db2.gz SZSNWGVXVUUINC-GFCCVEGCSA-N 2 1 280.372 -0.828 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)C1 ZINC001001453062 656811879 /nfs/dbraw/zinc/81/18/79/656811879.db2.gz SZSNWGVXVUUINC-GFCCVEGCSA-N 2 1 280.372 -0.828 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)C1 ZINC001001453062 656811882 /nfs/dbraw/zinc/81/18/82/656811882.db2.gz SZSNWGVXVUUINC-GFCCVEGCSA-N 2 1 280.372 -0.828 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2=CC[NH+](CCO)CC2)C1 ZINC001001450714 656811967 /nfs/dbraw/zinc/81/19/67/656811967.db2.gz NHRYRTRBUXKLHD-CYBMUJFWSA-N 2 1 267.373 -0.321 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC2=CC[N@H+](CCO)CC2)C1 ZINC001001450714 656811970 /nfs/dbraw/zinc/81/19/70/656811970.db2.gz NHRYRTRBUXKLHD-CYBMUJFWSA-N 2 1 267.373 -0.321 20 0 CBADMP C[NH+]1CC[C@@H](C(=O)NCC2=CC[N@@H+](CCO)CC2)C1 ZINC001001450714 656811973 /nfs/dbraw/zinc/81/19/73/656811973.db2.gz NHRYRTRBUXKLHD-CYBMUJFWSA-N 2 1 267.373 -0.321 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001001539869 656813203 /nfs/dbraw/zinc/81/32/03/656813203.db2.gz WKUFVYHDPPRJDG-ZDUSSCGKSA-N 2 1 296.415 -0.216 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC001002127598 656826597 /nfs/dbraw/zinc/82/65/97/656826597.db2.gz TWNIZKFZAWGTEF-CYBMUJFWSA-N 2 1 269.389 -0.241 20 0 CBADMP CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002476092 656835004 /nfs/dbraw/zinc/83/50/04/656835004.db2.gz PPARLLIWVNOIQO-WCQYABFASA-N 2 1 296.415 -0.204 20 0 CBADMP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001002475152 656835748 /nfs/dbraw/zinc/83/57/48/656835748.db2.gz KSDBALGJFUCDAV-OLZOCXBDSA-N 2 1 296.415 -0.075 20 0 CBADMP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002524292 656836226 /nfs/dbraw/zinc/83/62/26/656836226.db2.gz SDFDVAREGVGMET-GXTWGEPZSA-N 2 1 299.415 -0.068 20 0 CBADMP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002524292 656836232 /nfs/dbraw/zinc/83/62/32/656836232.db2.gz SDFDVAREGVGMET-GXTWGEPZSA-N 2 1 299.415 -0.068 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001003139233 656850277 /nfs/dbraw/zinc/85/02/77/656850277.db2.gz PFCYLYZVXQLVKW-YRGRVCCFSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001003139233 656850289 /nfs/dbraw/zinc/85/02/89/656850289.db2.gz PFCYLYZVXQLVKW-YRGRVCCFSA-N 2 1 299.415 -0.333 20 0 CBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001003637232 656865655 /nfs/dbraw/zinc/86/56/55/656865655.db2.gz ZKIBDVZHLOELIO-CMPLNLGQSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001003637232 656865656 /nfs/dbraw/zinc/86/56/56/656865656.db2.gz ZKIBDVZHLOELIO-CMPLNLGQSA-N 2 1 282.388 -0.750 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CCO)CC1 ZINC001003636858 656865808 /nfs/dbraw/zinc/86/58/08/656865808.db2.gz XNWWQBPDEZFVPP-YPMHNXCESA-N 2 1 269.389 -0.243 20 0 CBADMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001004144925 656881366 /nfs/dbraw/zinc/88/13/66/656881366.db2.gz REWCSANQOQTSQF-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001004144925 656881369 /nfs/dbraw/zinc/88/13/69/656881369.db2.gz REWCSANQOQTSQF-YPMHNXCESA-N 2 1 294.399 -0.593 20 0 CBADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001004146904 656881444 /nfs/dbraw/zinc/88/14/44/656881444.db2.gz BPXWEEHPRFABJE-NSHDSACASA-N 2 1 255.362 -0.489 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(CC(N)=O)CC1 ZINC001004207720 656882656 /nfs/dbraw/zinc/88/26/56/656882656.db2.gz IREYKEIPGQAQPP-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001004207720 656882660 /nfs/dbraw/zinc/88/26/60/656882660.db2.gz IREYKEIPGQAQPP-CYBMUJFWSA-N 2 1 296.415 -0.073 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC(N)=O)CC1 ZINC001005181065 656894938 /nfs/dbraw/zinc/89/49/38/656894938.db2.gz VJGBGKHUCCLELD-GFCCVEGCSA-N 2 1 282.388 -0.511 20 0 CBADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC(N)=O)CC1 ZINC001005181065 656894940 /nfs/dbraw/zinc/89/49/40/656894940.db2.gz VJGBGKHUCCLELD-GFCCVEGCSA-N 2 1 282.388 -0.511 20 0 CBADMP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1CCC[NH+]1C ZINC000910931044 656902246 /nfs/dbraw/zinc/90/22/46/656902246.db2.gz MVAILHIIZPGNCP-XQQFMLRXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1CCC[NH+]1C ZINC000910931044 656902263 /nfs/dbraw/zinc/90/22/63/656902263.db2.gz MVAILHIIZPGNCP-XQQFMLRXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000910931044 656902277 /nfs/dbraw/zinc/90/22/77/656902277.db2.gz MVAILHIIZPGNCP-XQQFMLRXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000910931044 656902294 /nfs/dbraw/zinc/90/22/94/656902294.db2.gz MVAILHIIZPGNCP-XQQFMLRXSA-N 2 1 269.389 -0.006 20 0 CBADMP C[NH+](C)C1(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000910930282 656902770 /nfs/dbraw/zinc/90/27/70/656902770.db2.gz IEHCIJBFJFMJRM-ZYHUDNBSSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC[N@H+]1C ZINC000911006169 656929073 /nfs/dbraw/zinc/92/90/73/656929073.db2.gz DJFKKEPOVFSACI-GRYCIOLGSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000911016238 656930973 /nfs/dbraw/zinc/93/09/73/656930973.db2.gz XJGQNWIQGXFKGA-JHJVBQTASA-N 2 1 296.415 -0.441 20 0 CBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000911015926 656931102 /nfs/dbraw/zinc/93/11/02/656931102.db2.gz SXAIAIKGMGTBRQ-STQMWFEESA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001005996751 656935773 /nfs/dbraw/zinc/93/57/73/656935773.db2.gz MSQKFHQMYZQUBA-LBPRGKRZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001005996751 656935782 /nfs/dbraw/zinc/93/57/82/656935782.db2.gz MSQKFHQMYZQUBA-LBPRGKRZSA-N 2 1 296.415 -0.121 20 0 CBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)C1CC1 ZINC000911059399 656937851 /nfs/dbraw/zinc/93/78/51/656937851.db2.gz GRGHTSZKRXMVED-OAHLLOKOSA-N 2 1 294.399 -0.449 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1C[NH3+] ZINC000911071994 656939074 /nfs/dbraw/zinc/93/90/74/656939074.db2.gz FNSLBQUWBPSWBG-IJLUTSLNSA-N 2 1 294.399 -0.608 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000911073167 656940267 /nfs/dbraw/zinc/94/02/67/656940267.db2.gz QQEAEHHFFGDHRC-GRYCIOLGSA-N 2 1 294.399 -0.689 20 0 CBADMP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000911073489 656941188 /nfs/dbraw/zinc/94/11/88/656941188.db2.gz SSZQFRYQJDZCSF-CMPLNLGQSA-N 2 1 294.399 -0.547 20 0 CBADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911097127 656946321 /nfs/dbraw/zinc/94/63/21/656946321.db2.gz NJJZFWLZGTYBFB-ZYHUDNBSSA-N 2 1 293.371 -0.497 20 0 CBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911138563 656960711 /nfs/dbraw/zinc/96/07/11/656960711.db2.gz SIMHMUZRQNGHIS-YNEHKIRRSA-N 2 1 296.415 -0.156 20 0 CBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911138471 656961683 /nfs/dbraw/zinc/96/16/83/656961683.db2.gz PQMVNDLGTLPPPG-NSHDSACASA-N 2 1 279.344 -0.743 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)C[N@H+]1C1CC1 ZINC000911148029 656964079 /nfs/dbraw/zinc/96/40/79/656964079.db2.gz UMOLXSOHIPOOIP-NXEZZACHSA-N 2 1 280.372 -0.665 20 0 CBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)C1CC1 ZINC000911185959 656975558 /nfs/dbraw/zinc/97/55/58/656975558.db2.gz DHNMJDUKTKOTNO-LBPRGKRZSA-N 2 1 296.415 -0.216 20 0 CBADMP C[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)[N@@H+](C)C1CC1 ZINC000911206658 656984726 /nfs/dbraw/zinc/98/47/26/656984726.db2.gz RVUAOJDPJNVUFJ-JQWIXIFHSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[N@@H+](C)C1CC1 ZINC000911206183 656985535 /nfs/dbraw/zinc/98/55/35/656985535.db2.gz QAKFBMQLOBQNLL-VIFPVBQESA-N 2 1 268.361 -0.807 20 0 CBADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)[N@@H+](C)C1CC1 ZINC000911206659 656985597 /nfs/dbraw/zinc/98/55/97/656985597.db2.gz RVUAOJDPJNVUFJ-PWSUYJOCSA-N 2 1 296.415 -0.301 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000911215450 656987903 /nfs/dbraw/zinc/98/79/03/656987903.db2.gz QGDKIQOFWKWVSW-RYUDHWBXSA-N 2 1 294.399 -0.463 20 0 CBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1[NH3+] ZINC000911214501 656987989 /nfs/dbraw/zinc/98/79/89/656987989.db2.gz GHDQRLWEJVQWBG-YVECIDJPSA-N 2 1 294.399 -0.465 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000911216400 656989061 /nfs/dbraw/zinc/98/90/61/656989061.db2.gz ZEPCKTLSXYYQET-NTZNESFSSA-N 2 1 294.399 -0.689 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000911236027 656993922 /nfs/dbraw/zinc/99/39/22/656993922.db2.gz LHEPEIQHBWZNSW-DGCLKSJQSA-N 2 1 296.415 -0.299 20 0 CBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911256316 656999854 /nfs/dbraw/zinc/99/98/54/656999854.db2.gz RQULSSCRIDSGLJ-HAQNSBGRSA-N 2 1 284.404 -0.312 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC[NH3+] ZINC000911267652 657002892 /nfs/dbraw/zinc/00/28/92/657002892.db2.gz RGXRIMOAQOSQLZ-LLVKDONJSA-N 2 1 270.377 -0.750 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC[NH3+] ZINC000911267652 657002896 /nfs/dbraw/zinc/00/28/96/657002896.db2.gz RGXRIMOAQOSQLZ-LLVKDONJSA-N 2 1 270.377 -0.750 20 0 CBADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000911270059 657004232 /nfs/dbraw/zinc/00/42/32/657004232.db2.gz RHXGJTLHZQTEBS-XQQFMLRXSA-N 2 1 294.399 -0.321 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000911269700 657004536 /nfs/dbraw/zinc/00/45/36/657004536.db2.gz OGPBBRPKFPIKJK-QWRGUYRKSA-N 2 1 280.372 -0.663 20 0 CBADMP CC[NH2+]CCCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911270199 657005711 /nfs/dbraw/zinc/00/57/11/657005711.db2.gz IRLBPVTWAWLHCQ-SWLSCSKDSA-N 2 1 296.415 -0.488 20 0 CBADMP O=C(N[C@H]1CCC[N@H+](CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001007349246 657006872 /nfs/dbraw/zinc/00/68/72/657006872.db2.gz MFMVPHVINZRKPC-KBPBESRZSA-N 2 1 281.400 -0.099 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911274746 657007014 /nfs/dbraw/zinc/00/70/14/657007014.db2.gz ROXNREYNFVHLNZ-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911274746 657007019 /nfs/dbraw/zinc/00/70/19/657007019.db2.gz ROXNREYNFVHLNZ-OLZOCXBDSA-N 2 1 296.415 -0.347 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC1C[NH2+]C1 ZINC000911287773 657010669 /nfs/dbraw/zinc/01/06/69/657010669.db2.gz HLRACIONEUJMPM-ZDUSSCGKSA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC1C[NH2+]C1 ZINC000911287773 657010674 /nfs/dbraw/zinc/01/06/74/657010674.db2.gz HLRACIONEUJMPM-ZDUSSCGKSA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000911288700 657012390 /nfs/dbraw/zinc/01/23/90/657012390.db2.gz UHVUPQCXLLKMMV-GFCCVEGCSA-N 2 1 282.388 -0.737 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000911288700 657012396 /nfs/dbraw/zinc/01/23/96/657012396.db2.gz UHVUPQCXLLKMMV-GFCCVEGCSA-N 2 1 282.388 -0.737 20 0 CBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911307384 657017622 /nfs/dbraw/zinc/01/76/22/657017622.db2.gz WBNRIFGGGQXYBK-TYNCELHUSA-N 2 1 296.415 -0.489 20 0 CBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911313051 657018545 /nfs/dbraw/zinc/01/85/45/657018545.db2.gz PRJRXSADAYMKSC-CHWSQXEVSA-N 2 1 298.431 -0.195 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911336754 657022797 /nfs/dbraw/zinc/02/27/97/657022797.db2.gz MTJMPXGYUHQMKD-GRYCIOLGSA-N 2 1 282.388 -0.689 20 0 CBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000911336808 657022995 /nfs/dbraw/zinc/02/29/95/657022995.db2.gz NVQJXNYLAWCCCC-OLZOCXBDSA-N 2 1 296.415 -0.216 20 0 CBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911337645 657023083 /nfs/dbraw/zinc/02/30/83/657023083.db2.gz UGGCESBURKPTND-FRRDWIJNSA-N 2 1 296.415 -0.441 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000911339304 657023756 /nfs/dbraw/zinc/02/37/56/657023756.db2.gz ULERTNMCZIGYMA-LLVKDONJSA-N 2 1 293.371 -0.358 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000911339687 657024051 /nfs/dbraw/zinc/02/40/51/657024051.db2.gz WSAGWWWHYYANTL-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000911339687 657024054 /nfs/dbraw/zinc/02/40/54/657024054.db2.gz WSAGWWWHYYANTL-OLZOCXBDSA-N 2 1 298.431 -0.101 20 0 CBADMP 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 657024988 /nfs/dbraw/zinc/02/49/88/657024988.db2.gz HAWSVOSEOWEWPV-UUIJZJDISA-N 2 1 294.399 -0.737 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000911365167 657027994 /nfs/dbraw/zinc/02/79/94/657027994.db2.gz CANPTHFIWRRIOM-GRYCIOLGSA-N 2 1 296.415 -0.301 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000911368083 657028837 /nfs/dbraw/zinc/02/88/37/657028837.db2.gz WHVQWGSCXYVTPN-GHMZBOCLSA-N 2 1 282.388 -0.737 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000911368083 657028841 /nfs/dbraw/zinc/02/88/41/657028841.db2.gz WHVQWGSCXYVTPN-GHMZBOCLSA-N 2 1 282.388 -0.737 20 0 CBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911370107 657028932 /nfs/dbraw/zinc/02/89/32/657028932.db2.gz PAFIRQTVANDNIK-GRYCIOLGSA-N 2 1 282.388 -0.689 20 0 CBADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000911368166 657029321 /nfs/dbraw/zinc/02/93/21/657029321.db2.gz XVNIYALEOROEAO-VXGBXAGGSA-N 2 1 296.415 -0.347 20 0 CBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911488089 657055479 /nfs/dbraw/zinc/05/54/79/657055479.db2.gz HUWJPFNOMTWZKQ-GRYCIOLGSA-N 2 1 282.388 -0.560 20 0 CBADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000911506255 657059634 /nfs/dbraw/zinc/05/96/34/657059634.db2.gz XQNHDRBKKYCIFV-UHFFFAOYSA-N 2 1 280.372 -0.852 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911528772 657068738 /nfs/dbraw/zinc/06/87/38/657068738.db2.gz RJZWAQMRSHSLBG-WDEREUQCSA-N 2 1 282.388 -0.689 20 0 CBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001009197189 657068799 /nfs/dbraw/zinc/06/87/99/657068799.db2.gz BGMZYZFPLSDBEM-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001009197189 657068804 /nfs/dbraw/zinc/06/88/04/657068804.db2.gz BGMZYZFPLSDBEM-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001009197189 657068806 /nfs/dbraw/zinc/06/88/06/657068806.db2.gz BGMZYZFPLSDBEM-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911550433 657075422 /nfs/dbraw/zinc/07/54/22/657075422.db2.gz BHQXFIPIWGIZPQ-KGYLQXTDSA-N 2 1 294.399 -0.452 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009516112 657077233 /nfs/dbraw/zinc/07/72/33/657077233.db2.gz MMTHJOZEQCMFAZ-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009516112 657077242 /nfs/dbraw/zinc/07/72/42/657077242.db2.gz MMTHJOZEQCMFAZ-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001009516112 657077247 /nfs/dbraw/zinc/07/72/47/657077247.db2.gz MMTHJOZEQCMFAZ-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP CN(C)C(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009516112 657077252 /nfs/dbraw/zinc/07/72/52/657077252.db2.gz MMTHJOZEQCMFAZ-QWHCGFSZSA-N 2 1 296.415 -0.393 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@H+](CCO)C1 ZINC001009535923 657079016 /nfs/dbraw/zinc/07/90/16/657079016.db2.gz HWDJOKLJRJCDAZ-LBPRGKRZSA-N 2 1 255.362 -0.345 20 0 CBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911562363 657079208 /nfs/dbraw/zinc/07/92/08/657079208.db2.gz ACTYBBAMQSBVBJ-DCAQKATOSA-N 2 1 268.361 -0.950 20 0 CBADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702878 657110552 /nfs/dbraw/zinc/11/05/52/657110552.db2.gz RGXOTSIIOSJJMR-GFCCVEGCSA-N 2 1 282.388 -0.593 20 0 CBADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001010383242 657170342 /nfs/dbraw/zinc/17/03/42/657170342.db2.gz SDZDFCFWMASSBR-OLZOCXBDSA-N 2 1 292.387 -0.437 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001010383242 657170357 /nfs/dbraw/zinc/17/03/57/657170357.db2.gz SDZDFCFWMASSBR-OLZOCXBDSA-N 2 1 292.387 -0.437 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001010383242 657170367 /nfs/dbraw/zinc/17/03/67/657170367.db2.gz SDZDFCFWMASSBR-OLZOCXBDSA-N 2 1 292.387 -0.437 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001010383242 657170375 /nfs/dbraw/zinc/17/03/75/657170375.db2.gz SDZDFCFWMASSBR-OLZOCXBDSA-N 2 1 292.387 -0.437 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCO)C1 ZINC001010383339 657171421 /nfs/dbraw/zinc/17/14/21/657171421.db2.gz UUUVNYMQOCRMBZ-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001010383339 657171429 /nfs/dbraw/zinc/17/14/29/657171429.db2.gz UUUVNYMQOCRMBZ-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001010383339 657171439 /nfs/dbraw/zinc/17/14/39/657171439.db2.gz UUUVNYMQOCRMBZ-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP CN(CC[N@@H+](C)CCO)C(=O)C[NH+](C)[C@H]1CCSC1 ZINC000912607136 657296882 /nfs/dbraw/zinc/29/68/82/657296882.db2.gz BVWCWTADCVRSPK-LBPRGKRZSA-N 2 1 289.445 -0.194 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000912607136 657296889 /nfs/dbraw/zinc/29/68/89/657296889.db2.gz BVWCWTADCVRSPK-LBPRGKRZSA-N 2 1 289.445 -0.194 20 0 CBADMP CN(CC[NH+](C)CCO)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000912607136 657296893 /nfs/dbraw/zinc/29/68/93/657296893.db2.gz BVWCWTADCVRSPK-LBPRGKRZSA-N 2 1 289.445 -0.194 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912744075 657336759 /nfs/dbraw/zinc/33/67/59/657336759.db2.gz MWQISPZBAUCNJE-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP C[NH+](C)CCCCC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912744075 657336762 /nfs/dbraw/zinc/33/67/62/657336762.db2.gz MWQISPZBAUCNJE-GFCCVEGCSA-N 2 1 257.378 -0.147 20 0 CBADMP O=C(N[C@H]1CC[N@H+](CCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001014457106 657361778 /nfs/dbraw/zinc/36/17/78/657361778.db2.gz OZCXYOGUPZHUTE-UONOGXRCSA-N 2 1 281.400 -0.099 20 0 CBADMP O=C(NC[C@@]1(CO)COCC[NH2+]1)C12CCC[NH+](CCC1)C2 ZINC000913178482 657393871 /nfs/dbraw/zinc/39/38/71/657393871.db2.gz GMMCAGMWWVEOHK-OAHLLOKOSA-N 2 1 297.399 -0.671 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC[N@@H+]1C ZINC000913184556 657406397 /nfs/dbraw/zinc/40/63/97/657406397.db2.gz DPBMAGHEOCJWMI-SGMGOOAPSA-N 2 1 285.388 -0.816 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC[N@H+]1C ZINC000913184556 657406404 /nfs/dbraw/zinc/40/64/04/657406404.db2.gz DPBMAGHEOCJWMI-SGMGOOAPSA-N 2 1 285.388 -0.816 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)CC[N@@H+]1C ZINC000913184555 657406896 /nfs/dbraw/zinc/40/68/96/657406896.db2.gz DPBMAGHEOCJWMI-OBJOEFQTSA-N 2 1 285.388 -0.816 20 0 CBADMP C[C@H]1C[C@@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)CC[N@H+]1C ZINC000913184555 657406901 /nfs/dbraw/zinc/40/69/01/657406901.db2.gz DPBMAGHEOCJWMI-OBJOEFQTSA-N 2 1 285.388 -0.816 20 0 CBADMP CC1CC[NH+](CC(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1 ZINC000913186919 657413187 /nfs/dbraw/zinc/41/31/87/657413187.db2.gz QRAPJFVUKNUDLB-CQSZACIVSA-N 2 1 285.388 -0.815 20 0 CBADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913190821 657421189 /nfs/dbraw/zinc/42/11/89/657421189.db2.gz NBUGHORPXYLQNU-JSGCOSHPSA-N 2 1 285.388 -0.672 20 0 CBADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913190821 657421198 /nfs/dbraw/zinc/42/11/98/657421198.db2.gz NBUGHORPXYLQNU-JSGCOSHPSA-N 2 1 285.388 -0.672 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001015290442 657427392 /nfs/dbraw/zinc/42/73/92/657427392.db2.gz OHIWDGYURBXEQW-LLVKDONJSA-N 2 1 252.318 -0.626 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001015290442 657427401 /nfs/dbraw/zinc/42/74/01/657427401.db2.gz OHIWDGYURBXEQW-LLVKDONJSA-N 2 1 252.318 -0.626 20 0 CBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015651001 657503579 /nfs/dbraw/zinc/50/35/79/657503579.db2.gz AHJYYCAQULWWEL-PWSUYJOCSA-N 2 1 282.388 -0.608 20 0 CBADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015651001 657503598 /nfs/dbraw/zinc/50/35/98/657503598.db2.gz AHJYYCAQULWWEL-PWSUYJOCSA-N 2 1 282.388 -0.608 20 0 CBADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+](C)[C@@H](CO)C2)C1 ZINC000913541980 657505501 /nfs/dbraw/zinc/50/55/01/657505501.db2.gz ZNXSTGGVIJIANY-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH+](C)[C@@H](CO)C2)C1 ZINC000913541980 657505506 /nfs/dbraw/zinc/50/55/06/657505506.db2.gz ZNXSTGGVIJIANY-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC000913541980 657505511 /nfs/dbraw/zinc/50/55/11/657505511.db2.gz ZNXSTGGVIJIANY-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+]1CC[C@@H](CC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC000913541980 657505516 /nfs/dbraw/zinc/50/55/16/657505516.db2.gz ZNXSTGGVIJIANY-NWDGAFQWSA-N 2 1 255.362 -0.537 20 0 CBADMP C[NH+](C)CC1(O)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000913680985 657583058 /nfs/dbraw/zinc/58/30/58/657583058.db2.gz LHYMLVSFNSEDDW-UHFFFAOYSA-N 2 1 299.415 -0.376 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NCCCN1CCOCC1 ZINC000913836308 657622587 /nfs/dbraw/zinc/62/25/87/657622587.db2.gz OIDWWBIOGFTBOY-GFCCVEGCSA-N 2 1 270.377 -0.288 20 0 CBADMP CN1CC[C@@H]1CNC(=O)NCCCN1CCOCC1 ZINC000913836308 657622594 /nfs/dbraw/zinc/62/25/94/657622594.db2.gz OIDWWBIOGFTBOY-GFCCVEGCSA-N 2 1 270.377 -0.288 20 0 CBADMP O=C(N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001016001051 657627138 /nfs/dbraw/zinc/62/71/38/657627138.db2.gz HPQBHHSAOFGHBS-NEPJUHHUSA-N 2 1 292.383 -0.839 20 0 CBADMP O=C(N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001016001051 657627150 /nfs/dbraw/zinc/62/71/50/657627150.db2.gz HPQBHHSAOFGHBS-NEPJUHHUSA-N 2 1 292.383 -0.839 20 0 CBADMP O=C(N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001016001053 657628075 /nfs/dbraw/zinc/62/80/75/657628075.db2.gz HPQBHHSAOFGHBS-RYUDHWBXSA-N 2 1 292.383 -0.839 20 0 CBADMP O=C(N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001016001053 657628081 /nfs/dbraw/zinc/62/80/81/657628081.db2.gz HPQBHHSAOFGHBS-RYUDHWBXSA-N 2 1 292.383 -0.839 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004497 657630384 /nfs/dbraw/zinc/63/03/84/657630384.db2.gz XYOLBWXPZXXQMH-RYUDHWBXSA-N 2 1 267.373 -0.347 20 0 CBADMP COCC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1C ZINC000914176848 657666202 /nfs/dbraw/zinc/66/62/02/657666202.db2.gz ROHBJUGOAYKQJS-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000914176848 657666216 /nfs/dbraw/zinc/66/62/16/657666216.db2.gz ROHBJUGOAYKQJS-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP COCC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000914176848 657666223 /nfs/dbraw/zinc/66/62/23/657666223.db2.gz ROHBJUGOAYKQJS-GFCCVEGCSA-N 2 1 272.393 -0.042 20 0 CBADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016251127 657668490 /nfs/dbraw/zinc/66/84/90/657668490.db2.gz SNHUTIGUJNIVJF-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016251127 657668511 /nfs/dbraw/zinc/66/85/11/657668511.db2.gz SNHUTIGUJNIVJF-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016251127 657668526 /nfs/dbraw/zinc/66/85/26/657668526.db2.gz SNHUTIGUJNIVJF-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016251127 657668535 /nfs/dbraw/zinc/66/85/35/657668535.db2.gz SNHUTIGUJNIVJF-RYUDHWBXSA-N 2 1 282.388 -0.783 20 0 CBADMP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252553 657671358 /nfs/dbraw/zinc/67/13/58/657671358.db2.gz TZBUZUSUCSABAQ-NWDGAFQWSA-N 2 1 255.362 -0.347 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001016259754 657676750 /nfs/dbraw/zinc/67/67/50/657676750.db2.gz JPUUSLXUSAXTDP-NSHDSACASA-N 2 1 252.318 -0.626 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001016259754 657676758 /nfs/dbraw/zinc/67/67/58/657676758.db2.gz JPUUSLXUSAXTDP-NSHDSACASA-N 2 1 252.318 -0.626 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001016543644 657718936 /nfs/dbraw/zinc/71/89/36/657718936.db2.gz PDVPHEXHVJIIQT-VXGBXAGGSA-N 2 1 294.399 -0.463 20 0 CBADMP COCC[N@@H+](C)CCCNC(=S)NCC[NH+](C)C ZINC000915124098 657730029 /nfs/dbraw/zinc/73/00/29/657730029.db2.gz FQUHEFMCIUZOHO-UHFFFAOYSA-N 2 1 276.450 -0.020 20 0 CBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)C1 ZINC001016970068 657742636 /nfs/dbraw/zinc/74/26/36/657742636.db2.gz RMXUYOXTHYYQAC-NEPJUHHUSA-N 2 1 294.399 -0.606 20 0 CBADMP CC[C@@H](CO)[NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000915875446 657753915 /nfs/dbraw/zinc/75/39/15/657753915.db2.gz KGCJLISQNISEPI-RYUDHWBXSA-N 2 1 257.378 -0.101 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001018634545 657830240 /nfs/dbraw/zinc/83/02/40/657830240.db2.gz JZGDZGMEZXULLK-STQMWFEESA-N 2 1 292.387 -0.437 20 0 CBADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CC3)C2)C1 ZINC001018665504 657837147 /nfs/dbraw/zinc/83/71/47/657837147.db2.gz STAVHZSLVZCTFE-QWHCGFSZSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CC3)C2)C1 ZINC001018665504 657837150 /nfs/dbraw/zinc/83/71/50/657837150.db2.gz STAVHZSLVZCTFE-QWHCGFSZSA-N 2 1 267.373 -0.083 20 0 CBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019043642 657860312 /nfs/dbraw/zinc/86/03/12/657860312.db2.gz BSXFJCRUOXRNCZ-RYUDHWBXSA-N 2 1 255.362 -0.347 20 0 CBADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019076256 657861428 /nfs/dbraw/zinc/86/14/28/657861428.db2.gz SMLKQORXJZNFIA-STQMWFEESA-N 2 1 296.415 -0.217 20 0 CBADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1)C(N)=O ZINC001019153856 657866575 /nfs/dbraw/zinc/86/65/75/657866575.db2.gz NJVAXIKJWCMHJI-NWDGAFQWSA-N 2 1 293.371 -0.354 20 0 CBADMP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001019241674 657875829 /nfs/dbraw/zinc/87/58/29/657875829.db2.gz TYDZYZJKZFYOFZ-GRYCIOLGSA-N 2 1 255.362 -0.348 20 0 CBADMP C[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C)C[NH+]1CCN(C)CC1 ZINC000920453112 657876325 /nfs/dbraw/zinc/87/63/25/657876325.db2.gz XRFGZMUGOHJROK-UONOGXRCSA-N 2 1 297.447 -0.127 20 0 CBADMP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001019289089 657880511 /nfs/dbraw/zinc/88/05/11/657880511.db2.gz UERYVYAHHWAQDQ-CYDGBPFRSA-N 2 1 296.415 -0.219 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019384213 657891034 /nfs/dbraw/zinc/89/10/34/657891034.db2.gz XDYBAMQRSBJMQL-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019380652 657891869 /nfs/dbraw/zinc/89/18/69/657891869.db2.gz IEAUDZSGOPOCLK-QWRGUYRKSA-N 2 1 268.361 -0.854 20 0 CBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001020028791 657991902 /nfs/dbraw/zinc/99/19/02/657991902.db2.gz JSFFAWPJEJOWQB-JHJVBQTASA-N 2 1 292.387 -0.391 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(N)=O ZINC001020029080 657992425 /nfs/dbraw/zinc/99/24/25/657992425.db2.gz UCFOSCJQYJIXHC-DDHJBXDOSA-N 2 1 282.388 -0.419 20 0 CBADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020237987 658030061 /nfs/dbraw/zinc/03/00/61/658030061.db2.gz JWENYHUIZDJXBP-AVGNSLFASA-N 2 1 296.415 -0.314 20 0 CBADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)C(N)=O ZINC001020302238 658035365 /nfs/dbraw/zinc/03/53/65/658035365.db2.gz IAOIWVBUCNDQOB-ZDEQEGDKSA-N 2 1 296.415 -0.029 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020507355 658061402 /nfs/dbraw/zinc/06/14/02/658061402.db2.gz POSZAXWCUDNUHH-JHJVBQTASA-N 2 1 285.388 -0.675 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020507355 658061413 /nfs/dbraw/zinc/06/14/13/658061413.db2.gz POSZAXWCUDNUHH-JHJVBQTASA-N 2 1 285.388 -0.675 20 0 CBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001020505908 658062224 /nfs/dbraw/zinc/06/22/24/658062224.db2.gz IHSUQOZZMOVWST-AAVRWANBSA-N 2 1 299.415 -0.287 20 0 CBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)O)C2)C1 ZINC001020505908 658062236 /nfs/dbraw/zinc/06/22/36/658062236.db2.gz IHSUQOZZMOVWST-AAVRWANBSA-N 2 1 299.415 -0.287 20 0 CBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020507354 658062430 /nfs/dbraw/zinc/06/24/30/658062430.db2.gz POSZAXWCUDNUHH-AVGNSLFASA-N 2 1 285.388 -0.675 20 0 CBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020507354 658062437 /nfs/dbraw/zinc/06/24/37/658062437.db2.gz POSZAXWCUDNUHH-AVGNSLFASA-N 2 1 285.388 -0.675 20 0 CBADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)C(N)=O ZINC001020587856 658075349 /nfs/dbraw/zinc/07/53/49/658075349.db2.gz XIXZKVLBCXZPQZ-FDYHWXHSSA-N 2 1 296.415 -0.029 20 0 CBADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020589829 658075711 /nfs/dbraw/zinc/07/57/11/658075711.db2.gz DJMIOVXUAHXKJE-SRVKXCTJSA-N 2 1 255.362 -0.443 20 0 CBADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C(N)=O ZINC001020928876 658118343 /nfs/dbraw/zinc/11/83/43/658118343.db2.gz ONBONZNHHJROPQ-WRWGMCAJSA-N 2 1 282.388 -0.561 20 0 CBADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1)C(N)=O ZINC001020985437 658126987 /nfs/dbraw/zinc/12/69/87/658126987.db2.gz CSBCOSLMXPPPGP-ASHKBJFXSA-N 2 1 294.399 -0.417 20 0 CBADMP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001021045294 658137717 /nfs/dbraw/zinc/13/77/17/658137717.db2.gz ZVURNLRDAYIRSJ-ZDEQEGDKSA-N 2 1 294.399 -0.594 20 0 CBADMP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021048425 658139694 /nfs/dbraw/zinc/13/96/94/658139694.db2.gz ZWGPICJHQJUIDR-SRVKXCTJSA-N 2 1 292.387 -0.496 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001021053487 658143492 /nfs/dbraw/zinc/14/34/92/658143492.db2.gz PPXIJKIQARJVKO-YUSALJHKSA-N 2 1 266.345 -0.191 20 0 CBADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001021050655 658144082 /nfs/dbraw/zinc/14/40/82/658144082.db2.gz PUVYQPCYVDGFGW-XYPYZODXSA-N 2 1 279.344 -0.098 20 0 CBADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCN1C(=O)CN(C)C1=O ZINC000923296162 658195125 /nfs/dbraw/zinc/19/51/25/658195125.db2.gz ODVPWXQHWMBZEI-LBPRGKRZSA-N 2 1 256.350 -0.157 20 0 CBADMP C[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001021211274 658159327 /nfs/dbraw/zinc/15/93/27/658159327.db2.gz UGVXJFONDFYTOO-WVMKXHBISA-N 2 1 294.399 -0.323 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001021211274 658159339 /nfs/dbraw/zinc/15/93/39/658159339.db2.gz UGVXJFONDFYTOO-WVMKXHBISA-N 2 1 294.399 -0.323 20 0 CBADMP C[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001021211274 658159354 /nfs/dbraw/zinc/15/93/54/658159354.db2.gz UGVXJFONDFYTOO-WVMKXHBISA-N 2 1 294.399 -0.323 20 0 CBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923279854 658186635 /nfs/dbraw/zinc/18/66/35/658186635.db2.gz CKVXPPFFOCGNNK-CHWSQXEVSA-N 2 1 295.387 -0.969 20 0 CBADMP CCOC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283955 658186949 /nfs/dbraw/zinc/18/69/49/658186949.db2.gz ZPNXPXOORKFDMM-ZIAGYGMSSA-N 2 1 299.415 -0.472 20 0 CBADMP CC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283167 658189372 /nfs/dbraw/zinc/18/93/72/658189372.db2.gz SMGKUCSCUSAMGU-OLZOCXBDSA-N 2 1 269.389 -0.099 20 0 CBADMP CCOCC[C@@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000923280432 658192086 /nfs/dbraw/zinc/19/20/86/658192086.db2.gz GIVFXTASJIWAHM-QWHCGFSZSA-N 2 1 287.404 -0.439 20 0 CBADMP C[C@H](O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283172 658192697 /nfs/dbraw/zinc/19/26/97/658192697.db2.gz SSWCJRIPADOFKI-RYUDHWBXSA-N 2 1 255.362 -0.489 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283774 658192782 /nfs/dbraw/zinc/19/27/82/658192782.db2.gz YDIGMANNUWMFFS-STQMWFEESA-N 2 1 285.388 -0.863 20 0 CBADMP CN1CC(=O)N(CC[NH2+][C@](C)(C[NH3+])C2CC2)C1=O ZINC000923296042 658193725 /nfs/dbraw/zinc/19/37/25/658193725.db2.gz NOKPRZYILDRKPY-GFCCVEGCSA-N 2 1 254.334 -0.403 20 0 CBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923288133 658194249 /nfs/dbraw/zinc/19/42/49/658194249.db2.gz XQKFOGXHUNHPNI-ZDUSSCGKSA-N 3 1 268.405 -0.798 20 0 CBADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000923287719 658195440 /nfs/dbraw/zinc/19/54/40/658195440.db2.gz FIAJSASBTKMSQH-WDEREUQCSA-N 2 1 268.361 -0.060 20 0 CBADMP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303453 658198962 /nfs/dbraw/zinc/19/89/62/658198962.db2.gz NFOOXKWWDGYYJK-NEPJUHHUSA-N 2 1 267.373 -0.035 20 0 CBADMP CCNC(=O)C[N@@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306913 658204296 /nfs/dbraw/zinc/20/42/96/658204296.db2.gz OHDLIYUHILTKRP-LLVKDONJSA-N 2 1 255.362 -0.177 20 0 CBADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923313210 658205548 /nfs/dbraw/zinc/20/55/48/658205548.db2.gz PXAZERLXYYUJCI-NWDGAFQWSA-N 2 1 267.373 -0.177 20 0 CBADMP C[N@@H+]([C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923316089 658207886 /nfs/dbraw/zinc/20/78/86/658207886.db2.gz QPZIYYMAMRNXRF-XKNYDFJKSA-N 2 1 295.305 -0.068 20 0 CBADMP C[N@H+]([C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923316089 658207904 /nfs/dbraw/zinc/20/79/04/658207904.db2.gz QPZIYYMAMRNXRF-XKNYDFJKSA-N 2 1 295.305 -0.068 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000923331386 658215891 /nfs/dbraw/zinc/21/58/91/658215891.db2.gz GIAFYNZVGNJQEQ-QJPTWQEYSA-N 2 1 280.372 -0.060 20 0 CBADMP CN1CC(=O)N(CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000923331922 658217564 /nfs/dbraw/zinc/21/75/64/658217564.db2.gz PTFATKKEFGYCKF-ZDUSSCGKSA-N 2 1 266.345 -0.434 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000923331922 658217590 /nfs/dbraw/zinc/21/75/90/658217590.db2.gz PTFATKKEFGYCKF-ZDUSSCGKSA-N 2 1 266.345 -0.434 20 0 CBADMP CC[C@@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)CC[C@@H]1[NH3+] ZINC000923346368 658221841 /nfs/dbraw/zinc/22/18/41/658221841.db2.gz WYBBYZWCNIDMEG-MNOVXSKESA-N 2 1 268.361 -0.060 20 0 CBADMP CC[C@@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)CC[C@@H]1[NH3+] ZINC000923346368 658221863 /nfs/dbraw/zinc/22/18/63/658221863.db2.gz WYBBYZWCNIDMEG-MNOVXSKESA-N 2 1 268.361 -0.060 20 0 CBADMP COC[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923346906 658221919 /nfs/dbraw/zinc/22/19/19/658221919.db2.gz XNPQHCCHJNXAHZ-VXGBXAGGSA-N 2 1 273.377 -0.687 20 0 CBADMP COC[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923346905 658222914 /nfs/dbraw/zinc/22/29/14/658222914.db2.gz XNPQHCCHJNXAHZ-RYUDHWBXSA-N 2 1 273.377 -0.687 20 0 CBADMP CSC[C@H](O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923366237 658232229 /nfs/dbraw/zinc/23/22/29/658232229.db2.gz IGXNHQLJPPQGRO-VXGBXAGGSA-N 2 1 259.419 -0.310 20 0 CBADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923366874 658235748 /nfs/dbraw/zinc/23/57/48/658235748.db2.gz PNTLBARECPOOHL-LSDHHAIUSA-N 2 1 285.432 -0.001 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000923371057 658238531 /nfs/dbraw/zinc/23/85/31/658238531.db2.gz UTIJOLBFRUALEO-STQMWFEESA-N 2 1 273.421 -0.097 20 0 CBADMP CCC[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923372278 658238753 /nfs/dbraw/zinc/23/87/53/658238753.db2.gz YVOMZNZEESXDKY-RYUDHWBXSA-N 2 1 267.373 -0.035 20 0 CBADMP CCC[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923372278 658238765 /nfs/dbraw/zinc/23/87/65/658238765.db2.gz YVOMZNZEESXDKY-RYUDHWBXSA-N 2 1 267.373 -0.035 20 0 CBADMP CN(C)C(=O)NCC[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923373302 658239547 /nfs/dbraw/zinc/23/95/47/658239547.db2.gz MGDNZGXQUIMZIB-NSHDSACASA-N 2 1 270.377 -0.432 20 0 CBADMP Cn1cnnc1N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923387048 658248823 /nfs/dbraw/zinc/24/88/23/658248823.db2.gz IXYQBQTZWVXZRK-LBPRGKRZSA-N 2 1 292.387 -0.684 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000923386272 658250344 /nfs/dbraw/zinc/25/03/44/658250344.db2.gz JBHSILHQUFRJNL-FZMZJTMJSA-N 2 1 280.372 -0.059 20 0 CBADMP CCO[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C[NH3+] ZINC000923389863 658251358 /nfs/dbraw/zinc/25/13/58/658251358.db2.gz ZLICYZXQCYRNRW-FRRDWIJNSA-N 2 1 268.361 -0.460 20 0 CBADMP c1cn(C[C@@H]2CC[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)nn1 ZINC000923387599 658251924 /nfs/dbraw/zinc/25/19/24/658251924.db2.gz WWDXUVSJHMAPBA-CHWSQXEVSA-N 2 1 277.372 -0.022 20 0 CBADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C[C@@H]1COCCO1 ZINC000923391750 658253133 /nfs/dbraw/zinc/25/31/33/658253133.db2.gz POYITMNTFPHIJB-NWDGAFQWSA-N 2 1 256.346 -0.288 20 0 CBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923400836 658261167 /nfs/dbraw/zinc/26/11/67/658261167.db2.gz FSTIRUVTSPJUHM-NEPJUHHUSA-N 2 1 267.373 -0.083 20 0 CBADMP C[C@@H](C[NH+]1CCOCC1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000923408281 658266777 /nfs/dbraw/zinc/26/67/77/658266777.db2.gz FSJNDBJBWUGYEV-KBPBESRZSA-N 2 1 271.405 -0.247 20 0 CBADMP CCOC[C@@H](O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413165 658269050 /nfs/dbraw/zinc/26/90/50/658269050.db2.gz DVOSFYXTXAXWDU-RVMXOQNASA-N 2 1 299.371 -0.749 20 0 CBADMP CCOC[C@H](O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413160 658271985 /nfs/dbraw/zinc/27/19/85/658271985.db2.gz DVOSFYXTXAXWDU-LOWDOPEQSA-N 2 1 299.371 -0.749 20 0 CBADMP O=C1NCC[C@@H]2CCC[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)[C@@H]12 ZINC000923426216 658274933 /nfs/dbraw/zinc/27/49/33/658274933.db2.gz LSJCVHPCCNSARE-YNEHKIRRSA-N 2 1 279.384 -0.035 20 0 CBADMP O=C1[C@@H](N2CC[NH2+]CC[NH2+]CC2)CCN1CC(F)(F)F ZINC000923461690 658289492 /nfs/dbraw/zinc/28/94/92/658289492.db2.gz SCJJUJGNOHTUGK-JTQLQIEISA-N 2 1 294.321 -0.356 20 0 CBADMP O=S(=O)(CCN1CC[NH2+]CC[NH2+]CC1)c1ccccc1 ZINC000923463503 658291827 /nfs/dbraw/zinc/29/18/27/658291827.db2.gz SVFQYZWJSIHEFY-UHFFFAOYSA-N 2 1 297.424 -0.045 20 0 CBADMP O=S(=O)(CCN1CC[NH2+]CC[NH2+]CC1)c1ccccn1 ZINC000923461568 658292511 /nfs/dbraw/zinc/29/25/11/658292511.db2.gz ZNACMKFSLSHIAT-UHFFFAOYSA-N 2 1 298.412 -0.650 20 0 CBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCC1CCC1 ZINC000923460197 658292575 /nfs/dbraw/zinc/29/25/75/658292575.db2.gz CZKXKFHDLAJBKQ-UHFFFAOYSA-N 2 1 254.378 -0.603 20 0 CBADMP Cc1cc(NC(=O)[C@H](C)N2CC[NH2+]CC[NH2+]CC2)on1 ZINC000923464291 658298897 /nfs/dbraw/zinc/29/88/97/658298897.db2.gz LUUMROHBJJEPLT-NSHDSACASA-N 2 1 281.360 -0.195 20 0 CBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)N1CCCCCC1 ZINC000923466195 658298960 /nfs/dbraw/zinc/29/89/60/658298960.db2.gz VIIDOWQPLMLDNG-UHFFFAOYSA-N 2 1 268.405 -0.116 20 0 CBADMP C[C@H]1C[N@H+](CCN2CCC[C@]([NH3+])(CO)C2)CCO1 ZINC000923475174 658301371 /nfs/dbraw/zinc/30/13/71/658301371.db2.gz OCYANURGIUQDIU-QWHCGFSZSA-N 2 1 257.378 -0.507 20 0 CBADMP C[C@H]1C[N@@H+](CCN2CCC[C@]([NH3+])(CO)C2)CCO1 ZINC000923475174 658301380 /nfs/dbraw/zinc/30/13/80/658301380.db2.gz OCYANURGIUQDIU-QWHCGFSZSA-N 2 1 257.378 -0.507 20 0 CBADMP [NH3+][C@]1(CO)CCCN(CCC[NH+]2CCOCC2)C1 ZINC000923480256 658302031 /nfs/dbraw/zinc/30/20/31/658302031.db2.gz ZYFJASIHQLATOK-CYBMUJFWSA-N 2 1 257.378 -0.506 20 0 CBADMP CN1CC(=O)N(CC[N@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923479652 658302318 /nfs/dbraw/zinc/30/23/18/658302318.db2.gz RKPAXHOZAFTIDY-SNVBAGLBSA-N 2 1 254.334 -0.449 20 0 CBADMP CN1CCN(C(=O)CC[N@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000923481589 658303433 /nfs/dbraw/zinc/30/34/33/658303433.db2.gz RXVKTBJZCLAFIV-ZDUSSCGKSA-N 2 1 268.405 -0.179 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000923481589 658303444 /nfs/dbraw/zinc/30/34/44/658303444.db2.gz RXVKTBJZCLAFIV-ZDUSSCGKSA-N 3 1 268.405 -0.179 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000923481589 658303449 /nfs/dbraw/zinc/30/34/49/658303449.db2.gz RXVKTBJZCLAFIV-ZDUSSCGKSA-N 3 1 268.405 -0.179 20 0 CBADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000923479336 658303588 /nfs/dbraw/zinc/30/35/88/658303588.db2.gz WHKROVYZWYHIAR-DZGCQCFKSA-N 2 1 298.431 -0.675 20 0 CBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC000923493126 658306585 /nfs/dbraw/zinc/30/65/85/658306585.db2.gz RIQXVMVFYLAAKY-ZIAGYGMSSA-N 2 1 296.415 -0.216 20 0 CBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495563 658307908 /nfs/dbraw/zinc/30/79/08/658307908.db2.gz CHXIGJRBVJXYLO-WDEREUQCSA-N 2 1 263.407 -0.158 20 0 CBADMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)CC[C@H]1C[NH3+] ZINC000923502568 658310015 /nfs/dbraw/zinc/31/00/15/658310015.db2.gz BVZDGFFXRICLHJ-ZJUUUORDSA-N 2 1 268.361 -0.109 20 0 CBADMP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514082 658311082 /nfs/dbraw/zinc/31/10/82/658311082.db2.gz NAOOVSVVWTUGME-YVECIDJPSA-N 2 1 296.415 -0.375 20 0 CBADMP COC[C@@H](C)OC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515833 658311637 /nfs/dbraw/zinc/31/16/37/658311637.db2.gz NZXJDVSKTGEGLA-RQJABVFESA-N 2 1 272.389 -0.060 20 0 CBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516003 658313734 /nfs/dbraw/zinc/31/37/34/658313734.db2.gz QINKEVULVIWIOO-BFHYXJOUSA-N 2 1 271.405 -0.533 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516003 658313747 /nfs/dbraw/zinc/31/37/47/658313747.db2.gz QINKEVULVIWIOO-BFHYXJOUSA-N 2 1 271.405 -0.533 20 0 CBADMP COCCN(C)C[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516003 658313763 /nfs/dbraw/zinc/31/37/63/658313763.db2.gz QINKEVULVIWIOO-BFHYXJOUSA-N 2 1 271.405 -0.533 20 0 CBADMP O=S1(=O)NC[C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCN21 ZINC000923549090 658317286 /nfs/dbraw/zinc/31/72/86/658317286.db2.gz GEQIXLOEHNPNMB-LBPRGKRZSA-N 2 1 288.417 -0.790 20 0 CBADMP C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923588969 658341695 /nfs/dbraw/zinc/34/16/95/658341695.db2.gz MQIMLBOSBKQVKK-GFCCVEGCSA-N 2 1 290.433 -0.542 20 0 CBADMP CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923609469 658349468 /nfs/dbraw/zinc/34/94/68/658349468.db2.gz BBHQLIZLTRNGPX-LBPRGKRZSA-N 2 1 288.417 -0.695 20 0 CBADMP CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923609465 658350819 /nfs/dbraw/zinc/35/08/19/658350819.db2.gz BBHQLIZLTRNGPX-GFCCVEGCSA-N 2 1 288.417 -0.695 20 0 CBADMP O=S(=O)(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000923644484 658373403 /nfs/dbraw/zinc/37/34/03/658373403.db2.gz HTRANAPUHVYXSO-RKDXNWHRSA-N 2 1 283.344 -0.345 20 0 CBADMP O=S(=O)(N1CC[C@]2(C1)CCCC[NH2+]2)N1CC[NH2+]CC1 ZINC000923737306 658424425 /nfs/dbraw/zinc/42/44/25/658424425.db2.gz YRMMJQHEPBVPII-LBPRGKRZSA-N 2 1 288.417 -0.646 20 0 CBADMP COCC[N@H+]1CCC[C@@H]1CN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924576985 658614085 /nfs/dbraw/zinc/61/40/85/658614085.db2.gz CVENZYLKGYKUHK-NEPJUHHUSA-N 2 1 298.387 -0.421 20 0 CBADMP C[NH+](C)C[C@@H]1NC(=O)N(C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1=O ZINC000924561216 658614950 /nfs/dbraw/zinc/61/49/50/658614950.db2.gz SDSJIIFKHBMYOO-UTUOFQBUSA-N 2 1 296.371 -0.668 20 0 CBADMP O=C(NC[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958591005 658666781 /nfs/dbraw/zinc/66/67/81/658666781.db2.gz DYQAVZPXAVXBTA-ZIAGYGMSSA-N 2 1 293.411 -0.099 20 0 CBADMP COC1(OC)CC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000924945954 658670244 /nfs/dbraw/zinc/67/02/44/658670244.db2.gz MPTIMAGZIIZSQR-GFCCVEGCSA-N 2 1 285.388 -0.108 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[C@H](O)C[N@H+]1C ZINC000924978076 658681642 /nfs/dbraw/zinc/68/16/42/658681642.db2.gz INWXIHNHSLMWQN-MNOVXSKESA-N 2 1 252.318 -0.627 20 0 CBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1C ZINC000924978076 658681655 /nfs/dbraw/zinc/68/16/55/658681655.db2.gz INWXIHNHSLMWQN-MNOVXSKESA-N 2 1 252.318 -0.627 20 0 CBADMP C[N@H+]1C[C@@H](O)C[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000924980498 658687625 /nfs/dbraw/zinc/68/76/25/658687625.db2.gz GJTSSOZMVTUBFN-OLZOCXBDSA-N 2 1 269.389 -0.101 20 0 CBADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2C)cn1 ZINC000924981393 658687996 /nfs/dbraw/zinc/68/79/96/658687996.db2.gz NCZJAKMQTDNLQB-KBPBESRZSA-N 2 1 292.383 -0.062 20 0 CBADMP C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000924996203 658712775 /nfs/dbraw/zinc/71/27/75/658712775.db2.gz QDLASXDUSHIMNJ-CHWSQXEVSA-N 2 1 299.415 -0.474 20 0 CBADMP CC[N@H+]1CC[C@H]1CN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000925098794 658806975 /nfs/dbraw/zinc/80/69/75/658806975.db2.gz VGCXNUMGXOULRB-UWVGGRQHSA-N 2 1 254.334 -0.437 20 0 CBADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H](C1CC1)[NH+]1CCCC1 ZINC000961358083 658819007 /nfs/dbraw/zinc/81/90/07/658819007.db2.gz MQHHMCKTUBNLCY-YJNKXOJESA-N 2 1 293.411 -0.101 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000925332156 658827941 /nfs/dbraw/zinc/82/79/41/658827941.db2.gz NJTJCBQGLZOGKU-WZRBSPASSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000925332156 658827943 /nfs/dbraw/zinc/82/79/43/658827943.db2.gz NJTJCBQGLZOGKU-WZRBSPASSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@@H]1[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000925332156 658827946 /nfs/dbraw/zinc/82/79/46/658827946.db2.gz NJTJCBQGLZOGKU-WZRBSPASSA-N 2 1 270.377 -0.555 20 0 CBADMP C[C@H]1[C@@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000925341777 658830824 /nfs/dbraw/zinc/83/08/24/658830824.db2.gz JPFLLQRZCGKEOZ-RVMXOQNASA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@H]1[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000925341777 658830825 /nfs/dbraw/zinc/83/08/25/658830825.db2.gz JPFLLQRZCGKEOZ-RVMXOQNASA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@H]1[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000925341777 658830826 /nfs/dbraw/zinc/83/08/26/658830826.db2.gz JPFLLQRZCGKEOZ-RVMXOQNASA-N 2 1 282.388 -0.461 20 0 CBADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000961767862 658833364 /nfs/dbraw/zinc/83/33/64/658833364.db2.gz AHIPXPJWILFBTP-PUHVVEEASA-N 2 1 280.372 -0.998 20 0 CBADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000961767862 658833365 /nfs/dbraw/zinc/83/33/65/658833365.db2.gz AHIPXPJWILFBTP-PUHVVEEASA-N 2 1 280.372 -0.998 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000961767862 658833368 /nfs/dbraw/zinc/83/33/68/658833368.db2.gz AHIPXPJWILFBTP-PUHVVEEASA-N 2 1 280.372 -0.998 20 0 CBADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000961767862 658833370 /nfs/dbraw/zinc/83/33/70/658833370.db2.gz AHIPXPJWILFBTP-PUHVVEEASA-N 2 1 280.372 -0.998 20 0 CBADMP C[NH+](C)C[C@H]1NC(=O)N(CC[N@H+]2CCCOCC2)C1=O ZINC000925349812 658833473 /nfs/dbraw/zinc/83/34/73/658833473.db2.gz RHJKAFOUFQXUAT-LLVKDONJSA-N 2 1 284.360 -0.809 20 0 CBADMP CCC[N@H+]1CC[C@@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925359969 658835064 /nfs/dbraw/zinc/83/50/64/658835064.db2.gz SEKMPUDZZPJCPC-MNOVXSKESA-N 2 1 268.361 -0.047 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000925396599 658838667 /nfs/dbraw/zinc/83/86/67/658838667.db2.gz AQXHEQPWGUOBKR-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000925407352 658839621 /nfs/dbraw/zinc/83/96/21/658839621.db2.gz KIECZMMKXWENLO-LBPRGKRZSA-N 2 1 263.345 -0.081 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000925408053 658839986 /nfs/dbraw/zinc/83/99/86/658839986.db2.gz NXXDHTFCCVREIX-RDBSUJKOSA-N 2 1 296.415 -0.069 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000925407351 658840044 /nfs/dbraw/zinc/84/00/44/658840044.db2.gz KIECZMMKXWENLO-GFCCVEGCSA-N 2 1 263.345 -0.081 20 0 CBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925410793 658840414 /nfs/dbraw/zinc/84/04/14/658840414.db2.gz UJFGZDGYYLHEQA-JQWIXIFHSA-N 2 1 258.366 -0.698 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000925424156 658845984 /nfs/dbraw/zinc/84/59/84/658845984.db2.gz KUPCNEAXACTCND-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000925424156 658845990 /nfs/dbraw/zinc/84/59/90/658845990.db2.gz KUPCNEAXACTCND-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000925424156 658845992 /nfs/dbraw/zinc/84/59/92/658845992.db2.gz KUPCNEAXACTCND-OLZOCXBDSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000925424510 658847798 /nfs/dbraw/zinc/84/77/98/658847798.db2.gz MGCKHMRJDDZEHS-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000925424510 658847802 /nfs/dbraw/zinc/84/78/02/658847802.db2.gz MGCKHMRJDDZEHS-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000925424510 658847805 /nfs/dbraw/zinc/84/78/05/658847805.db2.gz MGCKHMRJDDZEHS-QWHCGFSZSA-N 2 1 284.404 -0.164 20 0 CBADMP C[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000925429633 658849948 /nfs/dbraw/zinc/84/99/48/658849948.db2.gz PAKGPLYFHYWQJY-WDEREUQCSA-N 2 1 256.350 -0.944 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000925429633 658849949 /nfs/dbraw/zinc/84/99/49/658849949.db2.gz PAKGPLYFHYWQJY-WDEREUQCSA-N 2 1 256.350 -0.944 20 0 CBADMP C[NH+]1CC[C@H]1CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000925429633 658849950 /nfs/dbraw/zinc/84/99/50/658849950.db2.gz PAKGPLYFHYWQJY-WDEREUQCSA-N 2 1 256.350 -0.944 20 0 CBADMP CN(CCC[NH+](C)C)CCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000925434834 658853800 /nfs/dbraw/zinc/85/38/00/658853800.db2.gz NOOJFYTZEMISIP-CYBMUJFWSA-N 2 1 285.436 -0.127 20 0 CBADMP NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H]2C[NH2+]CCOC2)C1 ZINC000925496663 658857226 /nfs/dbraw/zinc/85/72/26/658857226.db2.gz RTRKHFBGHYSCHF-STQMWFEESA-N 2 1 284.404 -0.848 20 0 CBADMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CNCCOC1 ZINC000925542848 658858156 /nfs/dbraw/zinc/85/81/56/658858156.db2.gz QSURWYMEJCJZDR-STQMWFEESA-N 2 1 259.394 -0.079 20 0 CBADMP CN(CCC[NH2+][C@H]1CC[NH2+]C1(C)C)S(C)(=O)=O ZINC000925542085 658858529 /nfs/dbraw/zinc/85/85/29/658858529.db2.gz GNNMOFWHSVWTQJ-JTQLQIEISA-N 2 1 263.407 -0.002 20 0 CBADMP CC(=O)N1CCN(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925547234 658859058 /nfs/dbraw/zinc/85/90/58/658859058.db2.gz MOAXWARCGPUSEC-RFBLXINOSA-N 2 1 292.427 -0.264 20 0 CBADMP CS(=O)(=O)CCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925571755 658859805 /nfs/dbraw/zinc/85/98/05/658859805.db2.gz IJSXUGPKOVEVPE-JZRPKSSGSA-N 2 1 288.413 -0.366 20 0 CBADMP C[C@H]1[NH2+]CCC[C@H]1NCC(=O)N1CC[NH+](C)CC1 ZINC000925617069 658862287 /nfs/dbraw/zinc/86/22/87/658862287.db2.gz PQXPONVXTMHPLN-VXGBXAGGSA-N 2 1 254.378 -0.510 20 0 CBADMP O=C(NCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccn[nH]1 ZINC000925631939 658863888 /nfs/dbraw/zinc/86/38/88/658863888.db2.gz LOIKLYYNQNFZHX-STXZSOOUSA-N 2 1 275.356 -0.275 20 0 CBADMP O=C(NCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccn[nH]1 ZINC000925631937 658864077 /nfs/dbraw/zinc/86/40/77/658864077.db2.gz LOIKLYYNQNFZHX-CXWACVEQSA-N 2 1 275.356 -0.275 20 0 CBADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC(=O)N2CCNCC2)C1 ZINC000925694526 658865812 /nfs/dbraw/zinc/86/58/12/658865812.db2.gz UWNSWRLRFCDYGJ-RYUDHWBXSA-N 2 1 268.405 -0.086 20 0 CBADMP C(CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)CN1CC[NH2+]CC1 ZINC000925689679 658866053 /nfs/dbraw/zinc/86/60/53/658866053.db2.gz HWXWQWVDTNDPGU-BTFPBAQTSA-N 2 1 264.417 -0.132 20 0 CBADMP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)Cn1ccnn1 ZINC000925685798 658866114 /nfs/dbraw/zinc/86/61/14/658866114.db2.gz NIOICCNUUHETON-QWRGUYRKSA-N 2 1 251.334 -0.487 20 0 CBADMP CNS(=O)(=O)CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925724329 658867906 /nfs/dbraw/zinc/86/79/06/658867906.db2.gz AFPKGJLCJMOGRY-RNWYCLNJSA-N 2 1 273.402 -0.488 20 0 CBADMP CN(C)S(=O)(=O)C1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000925776318 658871239 /nfs/dbraw/zinc/87/12/39/658871239.db2.gz WUBHUTJRSZADOQ-NXEZZACHSA-N 2 1 261.391 -0.120 20 0 CBADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000926171823 658888429 /nfs/dbraw/zinc/88/84/29/658888429.db2.gz AUXOKELJUHNCNK-CHWSQXEVSA-N 2 1 270.373 -0.019 20 0 CBADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000926171823 658888432 /nfs/dbraw/zinc/88/84/32/658888432.db2.gz AUXOKELJUHNCNK-CHWSQXEVSA-N 2 1 270.373 -0.019 20 0 CBADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000926442621 658900362 /nfs/dbraw/zinc/90/03/62/658900362.db2.gz IMGIIZQPZVHNLP-CHWSQXEVSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000926442621 658900372 /nfs/dbraw/zinc/90/03/72/658900372.db2.gz IMGIIZQPZVHNLP-CHWSQXEVSA-N 2 1 296.415 -0.265 20 0 CBADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000926441388 658900439 /nfs/dbraw/zinc/90/04/39/658900439.db2.gz BHDRFGZBLBWYEN-LBPRGKRZSA-N 2 1 284.404 -0.408 20 0 CBADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000926441388 658900450 /nfs/dbraw/zinc/90/04/50/658900450.db2.gz BHDRFGZBLBWYEN-LBPRGKRZSA-N 2 1 284.404 -0.408 20 0 CBADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000926572404 658905340 /nfs/dbraw/zinc/90/53/40/658905340.db2.gz HRIZYCPLBXOUPO-DAAZQVBGSA-N 2 1 265.361 -0.431 20 0 CBADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000926650405 658910379 /nfs/dbraw/zinc/91/03/79/658910379.db2.gz NXYNGJUDAFMBSR-FXJUQPSGSA-N 2 1 287.429 -0.050 20 0 CBADMP CCO[C@H](CNC(=O)N1CC[NH+](C)CC1)C[NH+](C)C ZINC000926824769 658915521 /nfs/dbraw/zinc/91/55/21/658915521.db2.gz SBJAKRQFORSFPN-GFCCVEGCSA-N 2 1 272.393 -0.090 20 0 CBADMP CN1CCOC[C@@]1(CO)C[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000926890789 658917972 /nfs/dbraw/zinc/91/79/72/658917972.db2.gz DSRZMKGNYGUOOD-IXXDHKBRSA-N 2 1 283.416 -0.391 20 0 CBADMP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000968916186 658945087 /nfs/dbraw/zinc/94/50/87/658945087.db2.gz YNDJLWHUDJWLMP-GHMZBOCLSA-N 2 1 291.355 -0.564 20 0 CBADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969403925 658986770 /nfs/dbraw/zinc/98/67/70/658986770.db2.gz SXJUKSJWEBWJKN-ICRTXTNUSA-N 2 1 295.383 -0.968 20 0 CBADMP C[C@@H](NC(=O)[C@H]1CCCN1C)C1CN(CC(=O)N(C)C)C1 ZINC000969411711 658986900 /nfs/dbraw/zinc/98/69/00/658986900.db2.gz OOXCAPUCWMKCNW-DGCLKSJQSA-N 2 1 296.415 -0.395 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC000970723576 659069210 /nfs/dbraw/zinc/06/92/10/659069210.db2.gz CDCHBJAYWOMEPR-ZYHUDNBSSA-N 2 1 266.345 -0.237 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970724850 659070196 /nfs/dbraw/zinc/07/01/96/659070196.db2.gz XCKRTFHIJPOVQE-LLVKDONJSA-N 2 1 252.318 -0.626 20 0 CBADMP C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970747284 659070938 /nfs/dbraw/zinc/07/09/38/659070938.db2.gz UWQXIWHGQRUUIQ-WDEREUQCSA-N 2 1 294.399 -0.608 20 0 CBADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCO)C1 ZINC000970879351 659074532 /nfs/dbraw/zinc/07/45/32/659074532.db2.gz VTBDXHNHJFXGDK-GHMZBOCLSA-N 2 1 255.362 -0.633 20 0 CBADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CCCC1 ZINC000929164862 659097684 /nfs/dbraw/zinc/09/76/84/659097684.db2.gz YFGPJUYOPBERHM-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CCCC1 ZINC000929164862 659097691 /nfs/dbraw/zinc/09/76/91/659097691.db2.gz YFGPJUYOPBERHM-LBPRGKRZSA-N 2 1 296.415 -0.203 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000971951045 659100723 /nfs/dbraw/zinc/10/07/23/659100723.db2.gz XNPWMDCHPOEYIX-GFCCVEGCSA-N 2 1 266.345 -0.283 20 0 CBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000971951045 659100746 /nfs/dbraw/zinc/10/07/46/659100746.db2.gz XNPWMDCHPOEYIX-GFCCVEGCSA-N 2 1 266.345 -0.283 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000929244120 659106535 /nfs/dbraw/zinc/10/65/35/659106535.db2.gz IZRGHEPPBQABGG-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000929244120 659106540 /nfs/dbraw/zinc/10/65/40/659106540.db2.gz IZRGHEPPBQABGG-CYBMUJFWSA-N 2 1 296.415 -0.201 20 0 CBADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972231495 659110009 /nfs/dbraw/zinc/11/00/09/659110009.db2.gz GEYNNQWZEVVCPW-DGCLKSJQSA-N 2 1 296.415 -0.265 20 0 CBADMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+](C)CC(N)=O)C2)C1 ZINC000972332126 659115076 /nfs/dbraw/zinc/11/50/76/659115076.db2.gz AWYAYJIJJJCJTG-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH+](C)CC(N)=O)C2)C1 ZINC000972332126 659115079 /nfs/dbraw/zinc/11/50/79/659115079.db2.gz AWYAYJIJJJCJTG-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)C1 ZINC000972332126 659115085 /nfs/dbraw/zinc/11/50/85/659115085.db2.gz AWYAYJIJJJCJTG-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC000972332126 659115090 /nfs/dbraw/zinc/11/50/90/659115090.db2.gz AWYAYJIJJJCJTG-VXGBXAGGSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH+](C)CCO)C2)C1 ZINC000972335080 659117179 /nfs/dbraw/zinc/11/71/79/659117179.db2.gz MTOAIEXQHGJUBR-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]([N@H+](C)CCO)C2)C1 ZINC000972335080 659117183 /nfs/dbraw/zinc/11/71/83/659117183.db2.gz MTOAIEXQHGJUBR-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]([N@@H+](C)CCO)C2)C1 ZINC000972335080 659117185 /nfs/dbraw/zinc/11/71/85/659117185.db2.gz MTOAIEXQHGJUBR-OLZOCXBDSA-N 2 1 269.389 -0.147 20 0 CBADMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000929401440 659121696 /nfs/dbraw/zinc/12/16/96/659121696.db2.gz KCAWVTHNNUHAKY-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000929401440 659121700 /nfs/dbraw/zinc/12/17/00/659121700.db2.gz KCAWVTHNNUHAKY-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000929401440 659121707 /nfs/dbraw/zinc/12/17/07/659121707.db2.gz KCAWVTHNNUHAKY-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000929401440 659121714 /nfs/dbraw/zinc/12/17/14/659121714.db2.gz KCAWVTHNNUHAKY-QWHCGFSZSA-N 2 1 296.415 -0.345 20 0 CBADMP CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000929401417 659122349 /nfs/dbraw/zinc/12/23/49/659122349.db2.gz JREGIVKZNNKTQO-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000929401417 659122356 /nfs/dbraw/zinc/12/23/56/659122356.db2.gz JREGIVKZNNKTQO-ZDUSSCGKSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000929509062 659133463 /nfs/dbraw/zinc/13/34/63/659133463.db2.gz YMNXDXHHXXWIGE-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000929509062 659133468 /nfs/dbraw/zinc/13/34/68/659133468.db2.gz YMNXDXHHXXWIGE-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000929509062 659133475 /nfs/dbraw/zinc/13/34/75/659133475.db2.gz YMNXDXHHXXWIGE-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000929509062 659133477 /nfs/dbraw/zinc/13/34/77/659133477.db2.gz YMNXDXHHXXWIGE-FRRDWIJNSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000929509065 659133887 /nfs/dbraw/zinc/13/38/87/659133887.db2.gz YMNXDXHHXXWIGE-YNEHKIRRSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000929509065 659133892 /nfs/dbraw/zinc/13/38/92/659133892.db2.gz YMNXDXHHXXWIGE-YNEHKIRRSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000929509065 659133896 /nfs/dbraw/zinc/13/38/96/659133896.db2.gz YMNXDXHHXXWIGE-YNEHKIRRSA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000929509065 659133898 /nfs/dbraw/zinc/13/38/98/659133898.db2.gz YMNXDXHHXXWIGE-YNEHKIRRSA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000929509063 659134386 /nfs/dbraw/zinc/13/43/86/659134386.db2.gz YMNXDXHHXXWIGE-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000929509063 659134389 /nfs/dbraw/zinc/13/43/89/659134389.db2.gz YMNXDXHHXXWIGE-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000929509063 659134390 /nfs/dbraw/zinc/13/43/90/659134390.db2.gz YMNXDXHHXXWIGE-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000929509063 659134392 /nfs/dbraw/zinc/13/43/92/659134392.db2.gz YMNXDXHHXXWIGE-JHJVBQTASA-N 2 1 294.399 -0.450 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[NH+]1CCCCC1 ZINC000929609814 659151994 /nfs/dbraw/zinc/15/19/94/659151994.db2.gz XGWNCGQXDCMKLY-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)[NH+]1CCCCC1 ZINC000929609814 659151998 /nfs/dbraw/zinc/15/19/98/659151998.db2.gz XGWNCGQXDCMKLY-QWHCGFSZSA-N 2 1 296.415 -0.203 20 0 CBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CCO)CC2(C)C)O1 ZINC000974750018 659172555 /nfs/dbraw/zinc/17/25/55/659172555.db2.gz HFNQXCCSOYUEGP-UPJWGTAASA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CCO)CC2(C)C)O1 ZINC000974750018 659172560 /nfs/dbraw/zinc/17/25/60/659172560.db2.gz HFNQXCCSOYUEGP-UPJWGTAASA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@H+](CCO)CC2(C)C)O1 ZINC000974750018 659172564 /nfs/dbraw/zinc/17/25/64/659172564.db2.gz HFNQXCCSOYUEGP-UPJWGTAASA-N 2 1 299.415 -0.476 20 0 CBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)O1 ZINC000974750018 659172567 /nfs/dbraw/zinc/17/25/67/659172567.db2.gz HFNQXCCSOYUEGP-UPJWGTAASA-N 2 1 299.415 -0.476 20 0 CBADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)C3(O)CCC3)CC2)C1 ZINC000929980432 659189291 /nfs/dbraw/zinc/18/92/91/659189291.db2.gz KISYZHYFUIVELP-HUUCEWRRSA-N 2 1 297.443 -0.026 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H](O)CO ZINC000930059291 659201457 /nfs/dbraw/zinc/20/14/57/659201457.db2.gz CLHGNRTZPAETPE-LPWJVIDDSA-N 2 1 258.362 -0.477 20 0 CBADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H](O)CO ZINC000930059409 659201611 /nfs/dbraw/zinc/20/16/11/659201611.db2.gz CLHGNRTZPAETPE-XQHKEYJVSA-N 2 1 258.362 -0.477 20 0 CBADMP CN(CC[N@@H+](C)C[C@@H](O)CO)C1CC[NH+](C)CC1 ZINC000930114471 659211503 /nfs/dbraw/zinc/21/15/03/659211503.db2.gz RKWHDEVGRKUHIL-CYBMUJFWSA-N 2 1 259.394 -0.703 20 0 CBADMP C[C@H](O)[C@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000930136961 659219470 /nfs/dbraw/zinc/21/94/70/659219470.db2.gz PXFASIQTHJUFAS-BYNSBNAKSA-N 2 1 285.432 -0.314 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+]1C ZINC000930146640 659221276 /nfs/dbraw/zinc/22/12/76/659221276.db2.gz VVUYTAHVTXZLGX-GRYCIOLGSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+]1C ZINC000930146640 659221296 /nfs/dbraw/zinc/22/12/96/659221296.db2.gz VVUYTAHVTXZLGX-GRYCIOLGSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+]1C ZINC000930146640 659221308 /nfs/dbraw/zinc/22/13/08/659221308.db2.gz VVUYTAHVTXZLGX-GRYCIOLGSA-N 2 1 282.388 -0.594 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC[NH+]1C ZINC000930146640 659221320 /nfs/dbraw/zinc/22/13/20/659221320.db2.gz VVUYTAHVTXZLGX-GRYCIOLGSA-N 2 1 282.388 -0.594 20 0 CBADMP O=C(NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000978980578 659234747 /nfs/dbraw/zinc/23/47/47/659234747.db2.gz CDRAKXXIRHJNKP-ZSOGYDGISA-N 2 1 293.411 -0.241 20 0 CBADMP C[C@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000981440393 659318457 /nfs/dbraw/zinc/31/84/57/659318457.db2.gz VTWQLHCFOWGLLA-BFHYXJOUSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@H](O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000981440393 659318466 /nfs/dbraw/zinc/31/84/66/659318466.db2.gz VTWQLHCFOWGLLA-BFHYXJOUSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@H](O)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000981440393 659318475 /nfs/dbraw/zinc/31/84/75/659318475.db2.gz VTWQLHCFOWGLLA-BFHYXJOUSA-N 2 1 299.415 -0.379 20 0 CBADMP C[C@H](O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000981440393 659318483 /nfs/dbraw/zinc/31/84/83/659318483.db2.gz VTWQLHCFOWGLLA-BFHYXJOUSA-N 2 1 299.415 -0.379 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000930829536 659346938 /nfs/dbraw/zinc/34/69/38/659346938.db2.gz WVIUVQVSMDKSRI-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000930829536 659346946 /nfs/dbraw/zinc/34/69/46/659346946.db2.gz WVIUVQVSMDKSRI-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000930829536 659346955 /nfs/dbraw/zinc/34/69/55/659346955.db2.gz WVIUVQVSMDKSRI-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000930829536 659346964 /nfs/dbraw/zinc/34/69/64/659346964.db2.gz WVIUVQVSMDKSRI-CHWSQXEVSA-N 2 1 296.415 -0.345 20 0 CBADMP C[N@@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000985791675 659401949 /nfs/dbraw/zinc/40/19/49/659401949.db2.gz MOADBKAWKAMPPW-LLVKDONJSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985791675 659401966 /nfs/dbraw/zinc/40/19/66/659401966.db2.gz MOADBKAWKAMPPW-LLVKDONJSA-N 2 1 282.388 -0.654 20 0 CBADMP C[NH+](CC(N)=O)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985791675 659401982 /nfs/dbraw/zinc/40/19/82/659401982.db2.gz MOADBKAWKAMPPW-LLVKDONJSA-N 2 1 282.388 -0.654 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986352342 659446127 /nfs/dbraw/zinc/44/61/27/659446127.db2.gz GKTQQMBSSUWIHX-JQWIXIFHSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986352344 659447572 /nfs/dbraw/zinc/44/75/72/659447572.db2.gz GKTQQMBSSUWIHX-PWSUYJOCSA-N 2 1 282.388 -0.465 20 0 CBADMP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000987188760 659494543 /nfs/dbraw/zinc/49/45/43/659494543.db2.gz BEQWFVXRNYPVFB-STQMWFEESA-N 2 1 285.388 -0.720 20 0 CBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931874638 659537218 /nfs/dbraw/zinc/53/72/18/659537218.db2.gz MNKSPSQTHFREHO-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931874638 659537220 /nfs/dbraw/zinc/53/72/20/659537220.db2.gz MNKSPSQTHFREHO-OLZOCXBDSA-N 2 1 296.415 -0.204 20 0 CBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931878687 659539484 /nfs/dbraw/zinc/53/94/84/659539484.db2.gz JZZAMBBKQIIDOB-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931878687 659539479 /nfs/dbraw/zinc/53/94/79/659539479.db2.gz JZZAMBBKQIIDOB-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931878687 659539488 /nfs/dbraw/zinc/53/94/88/659539488.db2.gz JZZAMBBKQIIDOB-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931878687 659539491 /nfs/dbraw/zinc/53/94/91/659539491.db2.gz JZZAMBBKQIIDOB-NWDGAFQWSA-N 2 1 282.388 -0.593 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+]1C ZINC000931880008 659541891 /nfs/dbraw/zinc/54/18/91/659541891.db2.gz ZIQVHAWOWRZDQG-JHJVBQTASA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+]1C ZINC000931880008 659541906 /nfs/dbraw/zinc/54/19/06/659541906.db2.gz ZIQVHAWOWRZDQG-JHJVBQTASA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+]1C ZINC000931880008 659541918 /nfs/dbraw/zinc/54/19/18/659541918.db2.gz ZIQVHAWOWRZDQG-JHJVBQTASA-N 2 1 296.415 -0.252 20 0 CBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC[NH+]1C ZINC000931880008 659541937 /nfs/dbraw/zinc/54/19/37/659541937.db2.gz ZIQVHAWOWRZDQG-JHJVBQTASA-N 2 1 296.415 -0.252 20 0 CBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931881219 659544468 /nfs/dbraw/zinc/54/44/68/659544468.db2.gz BIFPAYVMLWVVOM-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931881219 659544478 /nfs/dbraw/zinc/54/44/78/659544478.db2.gz BIFPAYVMLWVVOM-LBPRGKRZSA-N 2 1 284.404 -0.393 20 0 CBADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931885419 659547605 /nfs/dbraw/zinc/54/76/05/659547605.db2.gz NZBTYGUUJKYRQJ-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931885419 659547623 /nfs/dbraw/zinc/54/76/23/659547623.db2.gz NZBTYGUUJKYRQJ-CYBMUJFWSA-N 2 1 296.415 -0.249 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CCN1C)[C@@H]1CC[N@@H+](C)C1 ZINC000931884075 659547761 /nfs/dbraw/zinc/54/77/61/659547761.db2.gz DPMFHVLEOBRETM-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@@H]1CC[N@@H+](C)C1 ZINC000931884075 659547779 /nfs/dbraw/zinc/54/77/79/659547779.db2.gz DPMFHVLEOBRETM-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000931884075 659547786 /nfs/dbraw/zinc/54/77/86/659547786.db2.gz DPMFHVLEOBRETM-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000931884075 659547796 /nfs/dbraw/zinc/54/77/96/659547796.db2.gz DPMFHVLEOBRETM-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931885450 659553180 /nfs/dbraw/zinc/55/31/80/659553180.db2.gz YNYUZGDQUSDTNN-LBPRGKRZSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931885450 659553188 /nfs/dbraw/zinc/55/31/88/659553188.db2.gz YNYUZGDQUSDTNN-LBPRGKRZSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931885450 659553196 /nfs/dbraw/zinc/55/31/96/659553196.db2.gz YNYUZGDQUSDTNN-LBPRGKRZSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931885450 659553202 /nfs/dbraw/zinc/55/32/02/659553202.db2.gz YNYUZGDQUSDTNN-LBPRGKRZSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931888074 659554574 /nfs/dbraw/zinc/55/45/74/659554574.db2.gz ZFAKJZKMTYIVRD-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931888074 659554582 /nfs/dbraw/zinc/55/45/82/659554582.db2.gz ZFAKJZKMTYIVRD-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931888074 659554591 /nfs/dbraw/zinc/55/45/91/659554591.db2.gz ZFAKJZKMTYIVRD-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931888074 659554601 /nfs/dbraw/zinc/55/46/01/659554601.db2.gz ZFAKJZKMTYIVRD-VXGBXAGGSA-N 2 1 282.388 -0.641 20 0 CBADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000931887891 659555533 /nfs/dbraw/zinc/55/55/33/659555533.db2.gz ZCYSUYGITCIJEY-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000931887891 659555537 /nfs/dbraw/zinc/55/55/37/659555537.db2.gz ZCYSUYGITCIJEY-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000931887891 659555542 /nfs/dbraw/zinc/55/55/42/659555542.db2.gz ZCYSUYGITCIJEY-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000931887891 659555546 /nfs/dbraw/zinc/55/55/46/659555546.db2.gz ZCYSUYGITCIJEY-NEPJUHHUSA-N 2 1 296.415 -0.204 20 0 CBADMP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000989079829 659568767 /nfs/dbraw/zinc/56/87/67/659568767.db2.gz YBBMBUZHXYTTEH-GHMZBOCLSA-N 2 1 296.371 -0.079 20 0 CBADMP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000989449906 659587431 /nfs/dbraw/zinc/58/74/31/659587431.db2.gz LBIUKKFMKVOCRY-RYUDHWBXSA-N 2 1 296.415 -0.217 20 0 CBADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CCO)C[C@H]1C ZINC000989800068 659614772 /nfs/dbraw/zinc/61/47/72/659614772.db2.gz PMYUORRTNQWPIP-ZYHUDNBSSA-N 2 1 266.345 -0.237 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C3CCC2(C(N)=O)CC3)CC1 ZINC000932934782 659637884 /nfs/dbraw/zinc/63/78/84/659637884.db2.gz OAXKALKYUJKQNF-UHFFFAOYSA-N 2 1 294.399 -0.367 20 0 CBADMP C[NH+]1CCN(C(=O)CC[N@H+]2C3CCC2(C(N)=O)CC3)CC1 ZINC000932934782 659637890 /nfs/dbraw/zinc/63/78/90/659637890.db2.gz OAXKALKYUJKQNF-UHFFFAOYSA-N 2 1 294.399 -0.367 20 0 CBADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC000990245399 659705603 /nfs/dbraw/zinc/70/56/03/659705603.db2.gz WLHVBFNCOXCBPG-ZYHUDNBSSA-N 2 1 282.388 -0.465 20 0 CBADMP COC(=O)[C@@](C)(O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933731588 659734260 /nfs/dbraw/zinc/73/42/60/659734260.db2.gz CKVNYGRSJURPLC-UHTWSYAYSA-N 2 1 256.346 -0.206 20 0 CBADMP COC(=O)[C@@](C)(O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933731588 659734264 /nfs/dbraw/zinc/73/42/64/659734264.db2.gz CKVNYGRSJURPLC-UHTWSYAYSA-N 2 1 256.346 -0.206 20 0 CBADMP COC(=O)[C@@](C)(O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933731588 659734266 /nfs/dbraw/zinc/73/42/66/659734266.db2.gz CKVNYGRSJURPLC-UHTWSYAYSA-N 2 1 256.346 -0.206 20 0 CBADMP COC(=O)[C@@](C)(O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933731588 659734270 /nfs/dbraw/zinc/73/42/70/659734270.db2.gz CKVNYGRSJURPLC-UHTWSYAYSA-N 2 1 256.346 -0.206 20 0 CBADMP CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1)[NH+](C)C ZINC000990513775 659755413 /nfs/dbraw/zinc/75/54/13/659755413.db2.gz IHYYEFNULGQBOO-STQMWFEESA-N 2 1 296.415 -0.252 20 0 CBADMP OCC[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H](O)C[NH+]1CCCC1 ZINC000934257056 659795976 /nfs/dbraw/zinc/79/59/76/659795976.db2.gz GAAMHZSHLJZISI-BZUAXINKSA-N 2 1 297.443 -0.026 20 0 CBADMP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000935498173 659834326 /nfs/dbraw/zinc/83/43/26/659834326.db2.gz DMLKCTIUSLOMCV-ZDUSSCGKSA-N 2 1 299.415 -0.378 20 0 CBADMP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC000935498173 659834327 /nfs/dbraw/zinc/83/43/27/659834327.db2.gz DMLKCTIUSLOMCV-ZDUSSCGKSA-N 2 1 299.415 -0.378 20 0 CBADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1)C1CCC1 ZINC000995900875 659910656 /nfs/dbraw/zinc/91/06/56/659910656.db2.gz AMFCAGWRSZZMCZ-GFCCVEGCSA-N 2 1 296.415 -0.217 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(N)=O ZINC000948038768 659963924 /nfs/dbraw/zinc/96/39/24/659963924.db2.gz BIXNFVZNRXOCGQ-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(N)=O ZINC000948038768 659963928 /nfs/dbraw/zinc/96/39/28/659963928.db2.gz BIXNFVZNRXOCGQ-NEPJUHHUSA-N 2 1 282.388 -0.463 20 0 CBADMP